smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2nc(Cc3ccccc3)no2)n1 ZINC000737471787 945074336 /nfs/dbraw/zinc/07/43/36/945074336.db2.gz UDYPKGXEOKRPRN-LLVKDONJSA-N -1 3 394.464 3.101 20 0 GGADHM Cc1nnc([C@@H](C)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000737523934 945089698 /nfs/dbraw/zinc/08/96/98/945089698.db2.gz XMIVFTXLWUFHMW-GFCCVEGCSA-N -1 3 377.408 3.310 20 0 GGADHM Cc1nnc([C@@H](C)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000737523934 945089710 /nfs/dbraw/zinc/08/97/10/945089710.db2.gz XMIVFTXLWUFHMW-GFCCVEGCSA-N -1 3 377.408 3.310 20 0 GGADHM Cc1sc(NC(=O)c2c(Cl)n(C)nc2C(C)C)c(-c2nnn[n-]2)c1C ZINC000737563613 945096274 /nfs/dbraw/zinc/09/62/74/945096274.db2.gz NUCFTXZMJOKYMF-UHFFFAOYSA-N -1 3 379.877 3.308 20 0 GGADHM Cc1sc(NC(=O)c2c(Cl)n(C)nc2C(C)C)c(-c2nn[n-]n2)c1C ZINC000737563613 945096283 /nfs/dbraw/zinc/09/62/83/945096283.db2.gz NUCFTXZMJOKYMF-UHFFFAOYSA-N -1 3 379.877 3.308 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1CCc1ccccc1 ZINC000738100548 945188380 /nfs/dbraw/zinc/18/83/80/945188380.db2.gz QFQLMKUYVJGUDK-SFHVURJKSA-N -1 3 394.454 3.313 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1CCc1ccccc1 ZINC000738100548 945188383 /nfs/dbraw/zinc/18/83/83/945188383.db2.gz QFQLMKUYVJGUDK-SFHVURJKSA-N -1 3 394.454 3.313 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCc2ccccc21 ZINC000738483894 939058544 /nfs/dbraw/zinc/05/85/44/939058544.db2.gz TWRNQDZDWJMGCU-JPYJTQIMSA-N -1 3 396.462 3.080 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCc2ccccc21 ZINC000738483897 939059035 /nfs/dbraw/zinc/05/90/35/939059035.db2.gz TWRNQDZDWJMGCU-WZONZLPQSA-N -1 3 396.462 3.080 20 0 GGADHM CC[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)N1CCc2ccccc2C1 ZINC000780391050 939114251 /nfs/dbraw/zinc/11/42/51/939114251.db2.gz OZTBREUTPSUMDT-UXHICEINSA-N -1 3 387.524 3.156 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)N1CCc2ccccc2C1 ZINC000780391051 939114293 /nfs/dbraw/zinc/11/42/93/939114293.db2.gz OZTBREUTPSUMDT-VQTJNVASSA-N -1 3 387.524 3.156 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccsc1 ZINC000780404391 939117321 /nfs/dbraw/zinc/11/73/21/939117321.db2.gz XMTFTRPJPKQJDE-IAGOWNOFSA-N -1 3 381.542 3.464 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780494193 939128705 /nfs/dbraw/zinc/12/87/05/939128705.db2.gz HLMVKZALYJYYOV-UXHICEINSA-N -1 3 387.524 3.465 20 0 GGADHM Cc1cc(F)ccc1NC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900321960 939273270 /nfs/dbraw/zinc/27/32/70/939273270.db2.gz BBRDZRWNFJSRNV-OAQYLSRUSA-N -1 3 385.439 3.375 20 0 GGADHM COc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)c1 ZINC000900328912 939274624 /nfs/dbraw/zinc/27/46/24/939274624.db2.gz XTDNHPYZVZUHEZ-JOCHJYFZSA-N -1 3 397.475 3.245 20 0 GGADHM Cc1c(F)cccc1NC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900327992 939274777 /nfs/dbraw/zinc/27/47/77/939274777.db2.gz HFSXSLBSKNTIBD-NRFANRHFSA-N -1 3 385.439 3.375 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000902860917 939291017 /nfs/dbraw/zinc/29/10/17/939291017.db2.gz YRDFJFHSSADGND-VQIMIIECSA-N -1 3 388.414 3.119 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Nc2ccc3c(c2)CCC3)CCCN(Cc2ccccc2)C1 ZINC000908620242 939302801 /nfs/dbraw/zinc/30/28/01/939302801.db2.gz LWLYSVCPOBGFRG-QHCPKHFHSA-N -1 3 393.487 3.416 20 0 GGADHM Cc1nc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)sc1C ZINC000908638548 939303947 /nfs/dbraw/zinc/30/39/47/939303947.db2.gz OSFXIJIMAAPHJS-LJQANCHMSA-N -1 3 388.493 3.001 20 0 GGADHM O=C([O-])[C@]1(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCc2ccccc21 ZINC000908750163 939310921 /nfs/dbraw/zinc/31/09/21/939310921.db2.gz BICJJUQRKMMWNQ-REWPJTCUSA-N -1 3 393.487 3.049 20 0 GGADHM C[C@](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908751118 939311367 /nfs/dbraw/zinc/31/13/67/939311367.db2.gz JYVSIHKEVOAFSW-OXJNMPFZSA-N -1 3 387.505 3.184 20 0 GGADHM C[C@](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908752374 939311970 /nfs/dbraw/zinc/31/19/70/939311970.db2.gz QBFJJORVOJVRKI-DENIHFKCSA-N -1 3 381.476 3.123 20 0 GGADHM O=C([O-])[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1F ZINC000908752847 939312054 /nfs/dbraw/zinc/31/20/54/939312054.db2.gz RVIMRLQRUQVFQU-OALUTQOASA-N -1 3 385.439 3.088 20 0 GGADHM O=C([O-])[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1F ZINC000908752849 939312140 /nfs/dbraw/zinc/31/21/40/939312140.db2.gz RVIMRLQRUQVFQU-RTBURBONSA-N -1 3 385.439 3.088 20 0 GGADHM CCc1ccc([C@H](CNC(=O)NC2(C(=O)[O-])CCCCCC2)N(C)C)cc1 ZINC000908753170 939312462 /nfs/dbraw/zinc/31/24/62/939312462.db2.gz NFSPVTLZWYXZAU-SFHVURJKSA-N -1 3 375.513 3.329 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2cccs2)N(C)C)cc1 ZINC000908753737 939312611 /nfs/dbraw/zinc/31/26/11/939312611.db2.gz OXRRGWADVOWCMY-RDJZCZTQSA-N -1 3 375.494 3.038 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)N(C)C)cc1 ZINC000908753726 939312942 /nfs/dbraw/zinc/31/29/42/939312942.db2.gz OUFIOVYNFLMIPO-NZQKXSOJSA-N -1 3 395.503 3.077 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000908755356 939313490 /nfs/dbraw/zinc/31/34/90/939313490.db2.gz XELLOUKNWGMAGR-DENIHFKCSA-N -1 3 383.492 3.151 20 0 GGADHM Cc1ccc([C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908756984 939314224 /nfs/dbraw/zinc/31/42/24/939314224.db2.gz PEDZZNCSZXQBOU-VQTJNVASSA-N -1 3 381.476 3.003 20 0 GGADHM Cc1ccc([C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908756985 939314597 /nfs/dbraw/zinc/31/45/97/939314597.db2.gz PEDZZNCSZXQBOU-WOJBJXKFSA-N -1 3 381.476 3.003 20 0 GGADHM CC(C)(CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)N1CCc2ccccc2C1 ZINC000908807522 939323970 /nfs/dbraw/zinc/32/39/70/939323970.db2.gz OXCRLKAENNRCQD-QGZVFWFLSA-N -1 3 387.505 3.010 20 0 GGADHM Cc1cccc([C@H](NC(=O)NCCCN2CCc3ccccc3C2)C(=O)[O-])c1C ZINC000908820539 939328668 /nfs/dbraw/zinc/32/86/68/939328668.db2.gz NZILOESGUQZYDX-NRFANRHFSA-N -1 3 395.503 3.177 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C(=O)[O-])c1C ZINC000908820540 939328752 /nfs/dbraw/zinc/32/87/52/939328752.db2.gz NZILOESGUQZYDX-OAQYLSRUSA-N -1 3 395.503 3.177 20 0 GGADHM CC[C@](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908846877 939334851 /nfs/dbraw/zinc/33/48/51/939334851.db2.gz FIRXWJMBBCKSAZ-NZQKXSOJSA-N -1 3 395.503 3.340 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908847397 939334901 /nfs/dbraw/zinc/33/49/01/939334901.db2.gz PAYVDNDKWMIJDM-NHCUHLMSSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908847399 939335097 /nfs/dbraw/zinc/33/50/97/939335097.db2.gz PAYVDNDKWMIJDM-SFTDATJTSA-N -1 3 395.503 3.393 20 0 GGADHM CCC1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908846812 939335286 /nfs/dbraw/zinc/33/52/86/939335286.db2.gz CYODDTNMAHDPMZ-IMYXXEESSA-N -1 3 387.524 3.374 20 0 GGADHM Cc1cccc([C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908847681 939335716 /nfs/dbraw/zinc/33/57/16/939335716.db2.gz RTZCBTYSVBLDPW-TZIWHRDSSA-N -1 3 395.503 3.393 20 0 GGADHM O=C([O-])[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCCC1 ZINC000908847720 939336002 /nfs/dbraw/zinc/33/60/02/939336002.db2.gz SJKPWKDOWGGEEU-WOJBJXKFSA-N -1 3 387.524 3.374 20 0 GGADHM CN(CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)Cc1ccccc1 ZINC000908876572 939343018 /nfs/dbraw/zinc/34/30/18/939343018.db2.gz YFDSDSKNYVXKAG-QGZVFWFLSA-N -1 3 393.846 3.036 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908885314 939344839 /nfs/dbraw/zinc/34/48/39/939344839.db2.gz WOWHPLCKHUAWKD-ZDWFVDTJSA-N -1 3 393.487 3.047 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cccs2)N2CCCC2)cc1 ZINC000908898576 939347514 /nfs/dbraw/zinc/34/75/14/939347514.db2.gz KWUHOPVGFOGMNY-AEFFLSMTSA-N -1 3 387.505 3.319 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908902170 939347921 /nfs/dbraw/zinc/34/79/21/939347921.db2.gz VYNBZVBSLKWCBN-OFNKIYASSA-N -1 3 395.503 3.431 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908902167 939348054 /nfs/dbraw/zinc/34/80/54/939348054.db2.gz VYNBZVBSLKWCBN-NFBKMPQASA-N -1 3 395.503 3.431 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)N2CCCC2)cc1 ZINC000908902542 939348085 /nfs/dbraw/zinc/34/80/85/939348085.db2.gz YKMSILFQOIPHQY-JLMWRMLUSA-N -1 3 387.524 3.465 20 0 GGADHM CCCCCCN(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908912992 939350832 /nfs/dbraw/zinc/35/08/32/939350832.db2.gz OTIZHATZDCYUDP-MRXNPFEDSA-N -1 3 385.302 3.203 20 0 GGADHM CCCCCCN(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908912991 939350864 /nfs/dbraw/zinc/35/08/64/939350864.db2.gz OTIZHATZDCYUDP-INIZCTEOSA-N -1 3 385.302 3.203 20 0 GGADHM CC[C@@](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908987805 939366300 /nfs/dbraw/zinc/36/63/00/939366300.db2.gz JFLZVDJNMANHEG-VGSWGCGISA-N -1 3 383.492 3.196 20 0 GGADHM Cc1cc([C@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908988394 939366603 /nfs/dbraw/zinc/36/66/03/939366603.db2.gz LYXRGDGEEKFBHS-KXBFYZLASA-N -1 3 387.455 3.080 20 0 GGADHM Cc1ccc([C@@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1C ZINC000908990821 939366887 /nfs/dbraw/zinc/36/68/87/939366887.db2.gz VPGFBPUTYDMVTE-FXAWDEMLSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C(=O)[O-])c1C ZINC000908998073 939368380 /nfs/dbraw/zinc/36/83/80/939368380.db2.gz PQDJZRQOJXOUFA-PZJWPPBQSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1cc([C@@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908998413 939368620 /nfs/dbraw/zinc/36/86/20/939368620.db2.gz QXTGXPDVHFKWCR-AZUAARDMSA-N -1 3 399.466 3.224 20 0 GGADHM Cc1cc([C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908998415 939369264 /nfs/dbraw/zinc/36/92/64/939369264.db2.gz QXTGXPDVHFKWCR-QUCCMNQESA-N -1 3 399.466 3.224 20 0 GGADHM Cc1ccc([C@@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C(=O)[O-])cc1C ZINC000908999469 939369321 /nfs/dbraw/zinc/36/93/21/939369321.db2.gz ZBGJFGQJDIGFHA-LEWJYISDSA-N -1 3 395.503 3.393 20 0 GGADHM CCC1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)(C(=O)[O-])CC1 ZINC000909000821 939369423 /nfs/dbraw/zinc/36/94/23/939369423.db2.gz DOHZLVGDQWFGKU-KJUWTFRMSA-N -1 3 387.524 3.372 20 0 GGADHM CCC1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)(C(=O)[O-])CC1 ZINC000909000820 939369585 /nfs/dbraw/zinc/36/95/85/939369585.db2.gz DOHZLVGDQWFGKU-JPNCZVRGSA-N -1 3 387.524 3.372 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])c1 ZINC000908998498 939369599 /nfs/dbraw/zinc/36/95/99/939369599.db2.gz SODDJQFFWGFWSW-RTWAWAEBSA-N -1 3 395.503 3.393 20 0 GGADHM CC[C@](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908998435 939369639 /nfs/dbraw/zinc/36/96/39/939369639.db2.gz RKXTZFQTJLGFEN-NZQKXSOJSA-N -1 3 395.503 3.340 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C(=O)[O-])c1 ZINC000909002148 939370221 /nfs/dbraw/zinc/37/02/21/939370221.db2.gz PUPOKPRINHOMHF-UIFIKXQLSA-N -1 3 395.503 3.391 20 0 GGADHM CC[C@](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909001694 939370296 /nfs/dbraw/zinc/37/02/96/939370296.db2.gz NIBFRWPIIGXGIV-KPDCDPCYSA-N -1 3 395.503 3.339 20 0 GGADHM CC[C@](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909001515 939370393 /nfs/dbraw/zinc/37/03/93/939370393.db2.gz NIBFRWPIIGXGIV-DHJUGAMNSA-N -1 3 395.503 3.339 20 0 GGADHM CC[C@](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909065611 939376106 /nfs/dbraw/zinc/37/61/06/939376106.db2.gz CJOGHIDITNYABA-HCLVMJGWSA-N -1 3 395.503 3.196 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[O-])c1C ZINC000909066374 939376109 /nfs/dbraw/zinc/37/61/09/939376109.db2.gz FZUOYEHSFOVVKD-CZAAIQMYSA-N -1 3 395.503 3.249 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[O-])ccc1F ZINC000909071435 939377172 /nfs/dbraw/zinc/37/71/72/939377172.db2.gz YDOXKBJOJZWBPN-YSGRDPCXSA-N -1 3 399.466 3.080 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000909094848 939380183 /nfs/dbraw/zinc/38/01/83/939380183.db2.gz QFAAFBYLXFHRIJ-QMMLZNLJSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000909095133 939380235 /nfs/dbraw/zinc/38/02/35/939380235.db2.gz RYGVBXUAIBAAFH-QSFXBCCZSA-N -1 3 399.466 3.222 20 0 GGADHM CCC1CCC(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000909094213 939380304 /nfs/dbraw/zinc/38/03/04/939380304.db2.gz HOUZBAPEOBVEQT-BTARREFKSA-N -1 3 387.524 3.372 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)CN1Cc1ccccc1 ZINC000909095754 939380353 /nfs/dbraw/zinc/38/03/53/939380353.db2.gz WESFMRLZBMZOQQ-NSISKUIASA-N -1 3 387.524 3.372 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)CN1Cc1ccccc1 ZINC000909095753 939380507 /nfs/dbraw/zinc/38/05/07/939380507.db2.gz WESFMRLZBMZOQQ-LSTHTHJFSA-N -1 3 387.524 3.372 20 0 GGADHM CCO[C@H]1C[C@](NC(=O)c2cccc(CN3CCCCC3)c2)(C(=O)[O-])C1(C)C ZINC000909605770 939722358 /nfs/dbraw/zinc/72/23/58/939722358.db2.gz YEZPVWPCDSCKEX-AVRDEDQJSA-N -1 3 388.508 3.061 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3cc(C)cc(C)c3)cc2)CC1 ZINC000909791686 939729340 /nfs/dbraw/zinc/72/93/40/939729340.db2.gz HTJMBEOFBINOGA-OAQYLSRUSA-N -1 3 395.503 3.001 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])c3cc(C)cc(C)c3)cc2)CC1 ZINC000909791684 939729720 /nfs/dbraw/zinc/72/97/20/939729720.db2.gz HTJMBEOFBINOGA-NRFANRHFSA-N -1 3 395.503 3.001 20 0 GGADHM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])C1 ZINC000909915994 939744221 /nfs/dbraw/zinc/74/42/21/939744221.db2.gz ZBKIJUUMDRVFCV-DFQSSKMNSA-N -1 3 388.508 3.061 20 0 GGADHM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1CCCCCC1 ZINC000910938304 939761550 /nfs/dbraw/zinc/76/15/50/939761550.db2.gz WSHVVUPAOUVHIY-SWLSCSKDSA-N -1 3 388.386 3.092 20 0 GGADHM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1CCCCCC1 ZINC000910938302 939761769 /nfs/dbraw/zinc/76/17/69/939761769.db2.gz WSHVVUPAOUVHIY-DOMZBBRYSA-N -1 3 388.386 3.092 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Cc2coc3ccccc23)CCCN(Cc2ccccc2)C1 ZINC001123278104 939820216 /nfs/dbraw/zinc/82/02/16/939820216.db2.gz RQTOALAECBJMOH-QHCPKHFHSA-N -1 3 392.455 3.211 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cnc3ccccc3c2)CCCN(Cc2ccccc2)C1 ZINC001123278039 939820225 /nfs/dbraw/zinc/82/02/25/939820225.db2.gz QNGZEZKEGFVGSO-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3scnc3c2)CCCN(Cc2ccccc2)C1 ZINC001123278122 939820284 /nfs/dbraw/zinc/82/02/84/939820284.db2.gz SFQVXJMTNXFUAR-OAQYLSRUSA-N -1 3 395.484 3.146 20 0 GGADHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)n1C1CC1 ZINC001123372115 939821614 /nfs/dbraw/zinc/82/16/14/939821614.db2.gz JDIFXIWXSUJEBP-HSZRJFAPSA-N -1 3 395.503 3.289 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1Cc2ccccc2[C@H]1C ZINC000819865454 945299455 /nfs/dbraw/zinc/29/94/55/945299455.db2.gz FZVPTGXROKGJLH-VXGBXAGGSA-N -1 3 382.855 3.424 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1Cc2ccccc2[C@H]1C ZINC000819865454 945299464 /nfs/dbraw/zinc/29/94/64/945299464.db2.gz FZVPTGXROKGJLH-VXGBXAGGSA-N -1 3 382.855 3.424 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1Cc2ccccc2[C@H]1C ZINC000819865449 945300163 /nfs/dbraw/zinc/30/01/63/945300163.db2.gz FZVPTGXROKGJLH-NEPJUHHUSA-N -1 3 382.855 3.424 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1Cc2ccccc2[C@H]1C ZINC000819865449 945300170 /nfs/dbraw/zinc/30/01/70/945300170.db2.gz FZVPTGXROKGJLH-NEPJUHHUSA-N -1 3 382.855 3.424 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819946566 945316853 /nfs/dbraw/zinc/31/68/53/945316853.db2.gz OEFIYCYZLQBTHT-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819946566 945316861 /nfs/dbraw/zinc/31/68/61/945316861.db2.gz OEFIYCYZLQBTHT-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(N2CCCC2)cc1 ZINC000820005940 945327540 /nfs/dbraw/zinc/32/75/40/945327540.db2.gz ZLNKWBGEGOSPQE-UHFFFAOYSA-N -1 3 393.447 3.230 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(N2CCCC2)cc1 ZINC000820005940 945327545 /nfs/dbraw/zinc/32/75/45/945327545.db2.gz ZLNKWBGEGOSPQE-UHFFFAOYSA-N -1 3 393.447 3.230 20 0 GGADHM CC(C)N1CC[C@H](Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)C1=O ZINC000820131743 945358147 /nfs/dbraw/zinc/35/81/47/945358147.db2.gz DVTMRLCSYYESOH-INIZCTEOSA-N -1 3 380.477 3.030 20 0 GGADHM CC(C)N1CC[C@H](Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)C1=O ZINC000820131743 945358160 /nfs/dbraw/zinc/35/81/60/945358160.db2.gz DVTMRLCSYYESOH-INIZCTEOSA-N -1 3 380.477 3.030 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001610894509 970779378 /nfs/dbraw/zinc/77/93/78/970779378.db2.gz WUFYLEJIUWHNLZ-KRWDZBQOSA-N -1 3 375.856 3.392 20 0 GGADHM Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001600272522 970790250 /nfs/dbraw/zinc/79/02/50/970790250.db2.gz LXKVAJCQFRUKQL-IPMKNSEASA-N -1 3 396.491 3.078 20 0 GGADHM Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001600272523 970790652 /nfs/dbraw/zinc/79/06/52/970790652.db2.gz LXKVAJCQFRUKQL-OTWHNJEPSA-N -1 3 396.491 3.078 20 0 GGADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000323585897 971019774 /nfs/dbraw/zinc/01/97/74/971019774.db2.gz CNNLQZAFRZDRJX-LLVKDONJSA-N -1 3 384.274 3.014 20 0 GGADHM O=C([O-])CC1(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCCCC1 ZINC001601926436 971088367 /nfs/dbraw/zinc/08/83/67/971088367.db2.gz QHSQZKBIPFICJQ-KRWDZBQOSA-N -1 3 394.462 3.438 20 0 GGADHM CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000518941369 944636471 /nfs/dbraw/zinc/63/64/71/944636471.db2.gz TVVCXYNLIDWALG-UHFFFAOYSA-N -1 3 387.399 3.259 20 0 GGADHM CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000518941369 944636477 /nfs/dbraw/zinc/63/64/77/944636477.db2.gz TVVCXYNLIDWALG-UHFFFAOYSA-N -1 3 387.399 3.259 20 0 GGADHM CC(C)(C)[C@@H](O)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735596616 944678540 /nfs/dbraw/zinc/67/85/40/944678540.db2.gz KVUAWMFMUFAQBL-KRWDZBQOSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)(C)[C@@H](O)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735596616 944678546 /nfs/dbraw/zinc/67/85/46/944678546.db2.gz KVUAWMFMUFAQBL-KRWDZBQOSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735684141 944689740 /nfs/dbraw/zinc/68/97/40/944689740.db2.gz BZTOTAWFOLIPBK-UHFFFAOYSA-N -1 3 398.854 3.045 20 0 GGADHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735684141 944689749 /nfs/dbraw/zinc/68/97/49/944689749.db2.gz BZTOTAWFOLIPBK-UHFFFAOYSA-N -1 3 398.854 3.045 20 0 GGADHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735942244 944725696 /nfs/dbraw/zinc/72/56/96/944725696.db2.gz GDWCXENJWXAILD-UHFFFAOYSA-N -1 3 380.239 3.283 20 0 GGADHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735942244 944725702 /nfs/dbraw/zinc/72/57/02/944725702.db2.gz GDWCXENJWXAILD-UHFFFAOYSA-N -1 3 380.239 3.283 20 0 GGADHM C[C@H](CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735986835 944732581 /nfs/dbraw/zinc/73/25/81/944732581.db2.gz QFLIZRQNMNTRQS-UZLBHIALSA-N -1 3 390.491 3.146 20 0 GGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736269689 944781806 /nfs/dbraw/zinc/78/18/06/944781806.db2.gz HLOOZHLSFDKZDF-WCQYABFASA-N -1 3 375.498 3.341 20 0 GGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736269689 944781810 /nfs/dbraw/zinc/78/18/10/944781810.db2.gz HLOOZHLSFDKZDF-WCQYABFASA-N -1 3 375.498 3.341 20 0 GGADHM COC(=O)[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000736896673 944907904 /nfs/dbraw/zinc/90/79/04/944907904.db2.gz AVJMCTCTDLXVJY-QGZVFWFLSA-N -1 3 396.403 3.013 20 0 GGADHM COC(=O)[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736896673 944907914 /nfs/dbraw/zinc/90/79/14/944907914.db2.gz AVJMCTCTDLXVJY-QGZVFWFLSA-N -1 3 396.403 3.013 20 0 GGADHM COc1ccc([C@@H](C)CCNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737074720 944947093 /nfs/dbraw/zinc/94/70/93/944947093.db2.gz YPEKRYIMIVROFW-ZDUSSCGKSA-N -1 3 382.493 3.356 20 0 GGADHM COc1ccc([C@@H](C)CCNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737074720 944947099 /nfs/dbraw/zinc/94/70/99/944947099.db2.gz YPEKRYIMIVROFW-ZDUSSCGKSA-N -1 3 382.493 3.356 20 0 GGADHM CSCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737180515 944976619 /nfs/dbraw/zinc/97/66/19/944976619.db2.gz ASJWJQBAJATDDO-CYBMUJFWSA-N -1 3 383.477 3.178 20 0 GGADHM CSCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737180515 944976620 /nfs/dbraw/zinc/97/66/20/944976620.db2.gz ASJWJQBAJATDDO-CYBMUJFWSA-N -1 3 383.477 3.178 20 0 GGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)C(=O)c1cccc(F)c1 ZINC000820226596 945389736 /nfs/dbraw/zinc/38/97/36/945389736.db2.gz VXXXDIIKBUIGRQ-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)C(=O)c1cccc(F)c1 ZINC000820226596 945389741 /nfs/dbraw/zinc/38/97/41/945389741.db2.gz VXXXDIIKBUIGRQ-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820334779 945416907 /nfs/dbraw/zinc/41/69/07/945416907.db2.gz PYSVNAYXOXXCBY-JMERFSKESA-N -1 3 395.488 3.028 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820334779 945416911 /nfs/dbraw/zinc/41/69/11/945416911.db2.gz PYSVNAYXOXXCBY-JMERFSKESA-N -1 3 395.488 3.028 20 0 GGADHM C[C@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342033 945419395 /nfs/dbraw/zinc/41/93/95/945419395.db2.gz SDPTYVGKORSNQC-AWEZNQCLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342033 945419401 /nfs/dbraw/zinc/41/94/01/945419401.db2.gz SDPTYVGKORSNQC-AWEZNQCLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](NC(=O)N1CCS[C@@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350830 945425329 /nfs/dbraw/zinc/42/53/29/945425329.db2.gz MLVUOJUDSAREBK-RDTXWAMCSA-N -1 3 394.504 3.427 20 0 GGADHM C[C@@H](NC(=O)N1CCS[C@@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350830 945425337 /nfs/dbraw/zinc/42/53/37/945425337.db2.gz MLVUOJUDSAREBK-RDTXWAMCSA-N -1 3 394.504 3.427 20 0 GGADHM C[C@H](NC(=O)N1CCS[C@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350829 945426133 /nfs/dbraw/zinc/42/61/33/945426133.db2.gz MLVUOJUDSAREBK-KSSFIOAISA-N -1 3 394.504 3.427 20 0 GGADHM C[C@H](NC(=O)N1CCS[C@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350829 945426140 /nfs/dbraw/zinc/42/61/40/945426140.db2.gz MLVUOJUDSAREBK-KSSFIOAISA-N -1 3 394.504 3.427 20 0 GGADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820373846 945437570 /nfs/dbraw/zinc/43/75/70/945437570.db2.gz JURMVSHHTUBVLR-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820373846 945437575 /nfs/dbraw/zinc/43/75/75/945437575.db2.gz JURMVSHHTUBVLR-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820460979 945458361 /nfs/dbraw/zinc/45/83/61/945458361.db2.gz DEDNJHCAZONIBV-ZDUSSCGKSA-N -1 3 384.447 3.381 20 0 GGADHM C[C@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820460979 945458365 /nfs/dbraw/zinc/45/83/65/945458365.db2.gz DEDNJHCAZONIBV-ZDUSSCGKSA-N -1 3 384.447 3.381 20 0 GGADHM C[C@H](OC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512101 945471142 /nfs/dbraw/zinc/47/11/42/945471142.db2.gz HAZCWKQEXVGTAM-ZDUSSCGKSA-N -1 3 387.403 3.318 20 0 GGADHM C[C@H](OC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512101 945471148 /nfs/dbraw/zinc/47/11/48/945471148.db2.gz HAZCWKQEXVGTAM-ZDUSSCGKSA-N -1 3 387.403 3.318 20 0 GGADHM C[C@@H]1C[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000820669190 945519506 /nfs/dbraw/zinc/51/95/06/945519506.db2.gz ZQIDZDVUNGATBU-ZBFHGGJFSA-N -1 3 384.528 3.455 20 0 GGADHM C[C@@H]1C[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000820669190 945519515 /nfs/dbraw/zinc/51/95/15/945519515.db2.gz ZQIDZDVUNGATBU-ZBFHGGJFSA-N -1 3 384.528 3.455 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)[C@H](c2ccco2)C1 ZINC000820717094 945533952 /nfs/dbraw/zinc/53/39/52/945533952.db2.gz NUMBPKXZWMALCA-WBMJQRKESA-N -1 3 384.415 3.282 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)[C@H](c2ccco2)C1 ZINC000820717094 945533965 /nfs/dbraw/zinc/53/39/65/945533965.db2.gz NUMBPKXZWMALCA-WBMJQRKESA-N -1 3 384.415 3.282 20 0 GGADHM C[C@H]1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820722661 945537014 /nfs/dbraw/zinc/53/70/14/945537014.db2.gz LFFCXGQAZOSKOE-DJJJIMSYSA-N -1 3 380.427 3.027 20 0 GGADHM CC[C@H](C)[C@H](O)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820862726 945576298 /nfs/dbraw/zinc/57/62/98/945576298.db2.gz RFJUZCHEZMTAGH-SCLBCKFNSA-N -1 3 395.463 3.104 20 0 GGADHM CC[C@H](C)[C@H](O)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820862726 945576307 /nfs/dbraw/zinc/57/63/07/945576307.db2.gz RFJUZCHEZMTAGH-SCLBCKFNSA-N -1 3 395.463 3.104 20 0 GGADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820995610 945608225 /nfs/dbraw/zinc/60/82/25/945608225.db2.gz UVMWZEBHOAGTGL-WBVHZDCISA-N -1 3 397.504 3.071 20 0 GGADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820995610 945608233 /nfs/dbraw/zinc/60/82/33/945608233.db2.gz UVMWZEBHOAGTGL-WBVHZDCISA-N -1 3 397.504 3.071 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821002334 945609449 /nfs/dbraw/zinc/60/94/49/945609449.db2.gz VVMBHTJKLPWGMH-HNNXBMFYSA-N -1 3 386.456 3.286 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821002334 945609455 /nfs/dbraw/zinc/60/94/55/945609455.db2.gz VVMBHTJKLPWGMH-HNNXBMFYSA-N -1 3 386.456 3.286 20 0 GGADHM CCCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000821083349 945630247 /nfs/dbraw/zinc/63/02/47/945630247.db2.gz YKVDJKKPLGZMMY-BNEJOLLZSA-N -1 3 398.511 3.163 20 0 GGADHM CCCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000821083349 945630251 /nfs/dbraw/zinc/63/02/51/945630251.db2.gz YKVDJKKPLGZMMY-BNEJOLLZSA-N -1 3 398.511 3.163 20 0 GGADHM CCN(Cc1ccccc1Br)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821230726 945656227 /nfs/dbraw/zinc/65/62/27/945656227.db2.gz ORBNHOWAMGYPAK-UHFFFAOYSA-N -1 3 392.282 3.353 20 0 GGADHM CCN(Cc1ccccc1Br)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821230726 945656232 /nfs/dbraw/zinc/65/62/32/945656232.db2.gz ORBNHOWAMGYPAK-UHFFFAOYSA-N -1 3 392.282 3.353 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000821361499 945682380 /nfs/dbraw/zinc/68/23/80/945682380.db2.gz VMGSKGZFCHKVCY-JCGIZDLHSA-N -1 3 398.511 3.307 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000821361499 945682390 /nfs/dbraw/zinc/68/23/90/945682390.db2.gz VMGSKGZFCHKVCY-JCGIZDLHSA-N -1 3 398.511 3.307 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821480359 945704849 /nfs/dbraw/zinc/70/48/49/945704849.db2.gz BMLFNKBYMAQYGQ-WMZOPIPTSA-N -1 3 381.436 3.073 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821480359 945704858 /nfs/dbraw/zinc/70/48/58/945704858.db2.gz BMLFNKBYMAQYGQ-WMZOPIPTSA-N -1 3 381.436 3.073 20 0 GGADHM CN(C(=O)COc1ccccc1-c1nnn[n-]1)C1c2ccccc2-c2ccccc21 ZINC000821571037 945721161 /nfs/dbraw/zinc/72/11/61/945721161.db2.gz WUUNPYCEDQELPE-UHFFFAOYSA-N -1 3 397.438 3.474 20 0 GGADHM CN(C(=O)COc1ccccc1-c1nn[n-]n1)C1c2ccccc2-c2ccccc21 ZINC000821571037 945721171 /nfs/dbraw/zinc/72/11/71/945721171.db2.gz WUUNPYCEDQELPE-UHFFFAOYSA-N -1 3 397.438 3.474 20 0 GGADHM CN(Cc1cc2ccccc2o1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821608652 945741868 /nfs/dbraw/zinc/74/18/68/945741868.db2.gz PACQFPXZYGMOKD-UHFFFAOYSA-N -1 3 380.383 3.094 20 0 GGADHM CN(Cc1cc2ccccc2o1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821608652 945741877 /nfs/dbraw/zinc/74/18/77/945741877.db2.gz PACQFPXZYGMOKD-UHFFFAOYSA-N -1 3 380.383 3.094 20 0 GGADHM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000821629861 945757425 /nfs/dbraw/zinc/75/74/25/945757425.db2.gz DXCCGCCRLFZKCP-GOSISDBHSA-N -1 3 392.444 3.312 20 0 GGADHM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000821629861 945757444 /nfs/dbraw/zinc/75/74/44/945757444.db2.gz DXCCGCCRLFZKCP-GOSISDBHSA-N -1 3 392.444 3.312 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1nc(CCC(C)C)no1 ZINC000821699196 945833702 /nfs/dbraw/zinc/83/37/02/945833702.db2.gz GCSIVKYCMAQZKF-UHFFFAOYSA-N -1 3 378.820 3.079 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1nc(CCC(C)C)no1 ZINC000821699196 945833708 /nfs/dbraw/zinc/83/37/08/945833708.db2.gz GCSIVKYCMAQZKF-UHFFFAOYSA-N -1 3 378.820 3.079 20 0 GGADHM COc1ccc(OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1C ZINC000821842195 945882025 /nfs/dbraw/zinc/88/20/25/945882025.db2.gz PZPUKFJTPPYMTA-UHFFFAOYSA-N -1 3 399.476 3.142 20 0 GGADHM COc1ccc(OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1C ZINC000821842195 945882035 /nfs/dbraw/zinc/88/20/35/945882035.db2.gz PZPUKFJTPPYMTA-UHFFFAOYSA-N -1 3 399.476 3.142 20 0 GGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821883671 945896821 /nfs/dbraw/zinc/89/68/21/945896821.db2.gz ZEHUEVMDMPKAIE-SFHVURJKSA-N -1 3 394.479 3.191 20 0 GGADHM Cc1c(NC(=O)CSc2nccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822076658 945962161 /nfs/dbraw/zinc/96/21/61/945962161.db2.gz PXMXJYPTJFKAPY-UHFFFAOYSA-N -1 3 376.445 3.454 20 0 GGADHM Cc1c(NC(=O)CSc2nccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822076658 945962166 /nfs/dbraw/zinc/96/21/66/945962166.db2.gz PXMXJYPTJFKAPY-UHFFFAOYSA-N -1 3 376.445 3.454 20 0 GGADHM Cc1ccc(C=CS(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822233404 946017130 /nfs/dbraw/zinc/01/71/30/946017130.db2.gz OEAGDOWYSOVRKW-HJWRWDBZSA-N -1 3 375.841 3.241 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233195 946018481 /nfs/dbraw/zinc/01/84/81/946018481.db2.gz JXLXPYBSJSLZPM-SUMWQHHRSA-N -1 3 380.452 3.451 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233195 946018493 /nfs/dbraw/zinc/01/84/93/946018493.db2.gz JXLXPYBSJSLZPM-SUMWQHHRSA-N -1 3 380.452 3.451 20 0 GGADHM Cc1ccc(/C=C\CC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233494 946018689 /nfs/dbraw/zinc/01/86/89/946018689.db2.gz QDDVHQXKFUIFPM-IYKSTZQJSA-N -1 3 391.431 3.149 20 0 GGADHM Cc1ccc(/C=C\CC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233494 946018698 /nfs/dbraw/zinc/01/86/98/946018698.db2.gz QDDVHQXKFUIFPM-IYKSTZQJSA-N -1 3 391.431 3.149 20 0 GGADHM Cc1cccc2c(CCNC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331981 946057263 /nfs/dbraw/zinc/05/72/63/946057263.db2.gz KCKMSCVZPIYHMV-CQSZACIVSA-N -1 3 389.463 3.259 20 0 GGADHM Cc1cccc2c(CCNC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331981 946057274 /nfs/dbraw/zinc/05/72/74/946057274.db2.gz KCKMSCVZPIYHMV-CQSZACIVSA-N -1 3 389.463 3.259 20 0 GGADHM Cc1ccccc1C[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822356728 946068193 /nfs/dbraw/zinc/06/81/93/946068193.db2.gz YTZZSRLBEBYDJR-HNNXBMFYSA-N -1 3 379.464 3.080 20 0 GGADHM Cc1ccccc1C[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822356728 946068205 /nfs/dbraw/zinc/06/82/05/946068205.db2.gz YTZZSRLBEBYDJR-HNNXBMFYSA-N -1 3 379.464 3.080 20 0 GGADHM Cc1cnc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000822389479 946078988 /nfs/dbraw/zinc/07/89/88/946078988.db2.gz XXBPYQHFPUOTOB-LBPRGKRZSA-N -1 3 383.481 3.067 20 0 GGADHM Cc1cnc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000822389479 946079000 /nfs/dbraw/zinc/07/90/00/946079000.db2.gz XXBPYQHFPUOTOB-LBPRGKRZSA-N -1 3 383.481 3.067 20 0 GGADHM Cc1cnc(CNC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)o1 ZINC000822395204 946079347 /nfs/dbraw/zinc/07/93/47/946079347.db2.gz WEHYMVDEGPKZLA-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1cnc(CNC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)o1 ZINC000822395204 946079358 /nfs/dbraw/zinc/07/93/58/946079358.db2.gz WEHYMVDEGPKZLA-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)s1 ZINC000822427020 946086282 /nfs/dbraw/zinc/08/62/82/946086282.db2.gz AIBRIVKAUBBXEE-LLVKDONJSA-N -1 3 396.480 3.183 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)s1 ZINC000822427020 946086291 /nfs/dbraw/zinc/08/62/91/946086291.db2.gz AIBRIVKAUBBXEE-LLVKDONJSA-N -1 3 396.480 3.183 20 0 GGADHM Cc1onc(-c2ccccn2)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822552554 946119897 /nfs/dbraw/zinc/11/98/97/946119897.db2.gz CGDCSGLTPFKGFC-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM Cc1onc(-c2ccccn2)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822552554 946119908 /nfs/dbraw/zinc/11/99/08/946119908.db2.gz CGDCSGLTPFKGFC-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000822649444 946146687 /nfs/dbraw/zinc/14/66/87/946146687.db2.gz BKALXXJAAPABLI-UHFFFAOYSA-N -1 3 399.414 3.190 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000822649444 946146696 /nfs/dbraw/zinc/14/66/96/946146696.db2.gz BKALXXJAAPABLI-UHFFFAOYSA-N -1 3 399.414 3.190 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc(C=Cc2ccccc2)cs1 ZINC000822655385 946147580 /nfs/dbraw/zinc/14/75/80/946147580.db2.gz HGROTVRAGQENEC-BQYQJAHWSA-N -1 3 377.433 3.084 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc(C=Cc2ccccc2)cs1 ZINC000822655385 946147584 /nfs/dbraw/zinc/14/75/84/946147584.db2.gz HGROTVRAGQENEC-BQYQJAHWSA-N -1 3 377.433 3.084 20 0 GGADHM FC(F)CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1 ZINC000822731191 946166840 /nfs/dbraw/zinc/16/68/40/946166840.db2.gz AGLNSPOZPYNKPU-UHFFFAOYSA-N -1 3 397.389 3.184 20 0 GGADHM FC(F)CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccccc1 ZINC000822731191 946166844 /nfs/dbraw/zinc/16/68/44/946166844.db2.gz AGLNSPOZPYNKPU-UHFFFAOYSA-N -1 3 397.389 3.184 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC(Cc2ccccc2Cl)C1 ZINC000822927984 946221400 /nfs/dbraw/zinc/22/14/00/946221400.db2.gz CCEOPILTDPXDSO-MDZDMXLPSA-N -1 3 379.851 3.234 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC(Cc2ccccc2Cl)C1 ZINC000822927984 946221409 /nfs/dbraw/zinc/22/14/09/946221409.db2.gz CCEOPILTDPXDSO-MDZDMXLPSA-N -1 3 379.851 3.234 20 0 GGADHM O=C(CCC1CCCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822950293 946230599 /nfs/dbraw/zinc/23/05/99/946230599.db2.gz IXPDGLQYCBEZHP-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM O=C(CCC1CCCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822950293 946230609 /nfs/dbraw/zinc/23/06/09/946230609.db2.gz IXPDGLQYCBEZHP-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1cc(Cl)cc2cccnc21 ZINC000823112202 946315204 /nfs/dbraw/zinc/31/52/04/946315204.db2.gz ULWPUZBSVCFITP-UHFFFAOYSA-N -1 3 379.807 3.354 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1cc(Cl)cc2cccnc21 ZINC000823112202 946315217 /nfs/dbraw/zinc/31/52/17/946315217.db2.gz ULWPUZBSVCFITP-UHFFFAOYSA-N -1 3 379.807 3.354 20 0 GGADHM O=C(NCCc1ccncc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823224199 946349030 /nfs/dbraw/zinc/34/90/30/946349030.db2.gz TWBCGIAASKONOR-UHFFFAOYSA-N -1 3 386.415 3.027 20 0 GGADHM O=C(NCCc1ccncc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823224199 946349040 /nfs/dbraw/zinc/34/90/40/946349040.db2.gz TWBCGIAASKONOR-UHFFFAOYSA-N -1 3 386.415 3.027 20 0 GGADHM O=C(NCc1ccccc1OC1CCCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823261758 946360399 /nfs/dbraw/zinc/36/03/99/946360399.db2.gz RUBUZBFNZSXWKL-UHFFFAOYSA-N -1 3 398.854 3.167 20 0 GGADHM O=C(NCc1ccccc1OC1CCCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823261758 946360412 /nfs/dbraw/zinc/36/04/12/946360412.db2.gz RUBUZBFNZSXWKL-UHFFFAOYSA-N -1 3 398.854 3.167 20 0 GGADHM O=C(Nc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000823323139 946410499 /nfs/dbraw/zinc/41/04/99/946410499.db2.gz CWLKLHUNWBODMC-UHFFFAOYSA-N -1 3 378.367 3.463 20 0 GGADHM O=C(Nc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000823323139 946410506 /nfs/dbraw/zinc/41/05/06/946410506.db2.gz CWLKLHUNWBODMC-UHFFFAOYSA-N -1 3 378.367 3.463 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000823358832 946416122 /nfs/dbraw/zinc/41/61/22/946416122.db2.gz FYXOWTJASJFRML-HNNXBMFYSA-N -1 3 397.870 3.311 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000823358832 946416130 /nfs/dbraw/zinc/41/61/30/946416130.db2.gz FYXOWTJASJFRML-HNNXBMFYSA-N -1 3 397.870 3.311 20 0 GGADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823357264 946416146 /nfs/dbraw/zinc/41/61/46/946416146.db2.gz SJOAKUWOTNBQAA-UHFFFAOYSA-N -1 3 397.398 3.246 20 0 GGADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823357264 946416150 /nfs/dbraw/zinc/41/61/50/946416150.db2.gz SJOAKUWOTNBQAA-UHFFFAOYSA-N -1 3 397.398 3.246 20 0 GGADHM O=C(O[C@H]1CCc2ccc(F)cc21)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823397709 946425564 /nfs/dbraw/zinc/42/55/64/946425564.db2.gz ZJIXRSFDJMLRGD-OALUTQOASA-N -1 3 393.422 3.205 20 0 GGADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000823487651 946437430 /nfs/dbraw/zinc/43/74/30/946437430.db2.gz FEJZQQAWNFSXCY-UHFFFAOYSA-N -1 3 383.502 3.207 20 0 GGADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000823487651 946437441 /nfs/dbraw/zinc/43/74/41/946437441.db2.gz FEJZQQAWNFSXCY-UHFFFAOYSA-N -1 3 383.502 3.207 20 0 GGADHM O=C1OC(c2cc3c(s2)CCCC3)=NC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823548277 946445395 /nfs/dbraw/zinc/44/53/95/946445395.db2.gz VOLLDGOERQVHLV-DHZHZOJOSA-N -1 3 383.458 3.213 20 0 GGADHM Brc1ccc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000823826687 946486726 /nfs/dbraw/zinc/48/67/26/946486726.db2.gz MVPTUXXTCKJEEN-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM Brc1ccc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000823826687 946486733 /nfs/dbraw/zinc/48/67/33/946486733.db2.gz MVPTUXXTCKJEEN-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM Brc1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823832675 946489183 /nfs/dbraw/zinc/48/91/83/946489183.db2.gz SIWUXYPZAXRAII-XHDPSFHLSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823832675 946489189 /nfs/dbraw/zinc/48/91/89/946489189.db2.gz SIWUXYPZAXRAII-XHDPSFHLSA-N -1 3 396.314 3.096 20 0 GGADHM c1cc(C2=CCN(Cc3nc4c(s3)CCCC4)CC2)ccc1-c1nn[n-]n1 ZINC000823868199 946495672 /nfs/dbraw/zinc/49/56/72/946495672.db2.gz QONJPJUHGJSNCC-UHFFFAOYSA-N -1 3 378.505 3.491 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823942763 946523440 /nfs/dbraw/zinc/52/34/40/946523440.db2.gz IWWJDCDLQBWIRI-WNJRYGEDSA-N -1 3 389.459 3.179 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823942763 946523453 /nfs/dbraw/zinc/52/34/53/946523453.db2.gz IWWJDCDLQBWIRI-WNJRYGEDSA-N -1 3 389.459 3.179 20 0 GGADHM CC(=O)Nc1ccc(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000823999460 946539505 /nfs/dbraw/zinc/53/95/05/946539505.db2.gz BFGWXPTVFNYFGT-UHFFFAOYSA-N -1 3 387.852 3.454 20 0 GGADHM CC(=O)Nc1ccc(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000823999460 946539513 /nfs/dbraw/zinc/53/95/13/946539513.db2.gz BFGWXPTVFNYFGT-UHFFFAOYSA-N -1 3 387.852 3.454 20 0 GGADHM CC(=O)Nc1cccc(CNc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000824005428 946542163 /nfs/dbraw/zinc/54/21/63/946542163.db2.gz RSCAJRVJVTUNSN-UHFFFAOYSA-N -1 3 387.241 3.200 20 0 GGADHM CC(=O)Nc1cccc(CNc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000824005428 946542171 /nfs/dbraw/zinc/54/21/71/946542171.db2.gz RSCAJRVJVTUNSN-UHFFFAOYSA-N -1 3 387.241 3.200 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000824015773 946555280 /nfs/dbraw/zinc/55/52/80/946555280.db2.gz YINVSJHGWHXJAP-UHFFFAOYSA-N -1 3 378.436 3.045 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000824015773 946555292 /nfs/dbraw/zinc/55/52/92/946555292.db2.gz YINVSJHGWHXJAP-UHFFFAOYSA-N -1 3 378.436 3.045 20 0 GGADHM CC(=O)c1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000824024472 946557876 /nfs/dbraw/zinc/55/78/76/946557876.db2.gz GEMBOVIYMBSXKX-UHFFFAOYSA-N -1 3 395.810 3.385 20 0 GGADHM CC(=O)c1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000824024472 946557883 /nfs/dbraw/zinc/55/78/83/946557883.db2.gz GEMBOVIYMBSXKX-UHFFFAOYSA-N -1 3 395.810 3.385 20 0 GGADHM CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000824025081 946561332 /nfs/dbraw/zinc/56/13/32/946561332.db2.gz UQCFLGWJTMNFBZ-NSHDSACASA-N -1 3 385.811 3.129 20 0 GGADHM CC(C)(C)Sc1cc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000824123607 946596141 /nfs/dbraw/zinc/59/61/41/946596141.db2.gz HOFFFMJPBMMQPL-UHFFFAOYSA-N -1 3 397.460 3.192 20 0 GGADHM CC(C)(C)Sc1cc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000824123607 946596151 /nfs/dbraw/zinc/59/61/51/946596151.db2.gz HOFFFMJPBMMQPL-UHFFFAOYSA-N -1 3 397.460 3.192 20 0 GGADHM CC(C)(CO)[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1 ZINC000824162000 946604109 /nfs/dbraw/zinc/60/41/09/946604109.db2.gz BJZZVDLDXOCKFQ-SFHVURJKSA-N -1 3 388.475 3.051 20 0 GGADHM CC(C)(CO)[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccccc1 ZINC000824162000 946604116 /nfs/dbraw/zinc/60/41/16/946604116.db2.gz BJZZVDLDXOCKFQ-SFHVURJKSA-N -1 3 388.475 3.051 20 0 GGADHM CC(C)[C@@H](O)C1(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000824200728 946617526 /nfs/dbraw/zinc/61/75/26/946617526.db2.gz SZMRZMDPZGWSFI-LJQANCHMSA-N -1 3 391.475 3.061 20 0 GGADHM CC(C)[C@@H](O)C1(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000824200728 946617535 /nfs/dbraw/zinc/61/75/35/946617535.db2.gz SZMRZMDPZGWSFI-LJQANCHMSA-N -1 3 391.475 3.061 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824225732 946625578 /nfs/dbraw/zinc/62/55/78/946625578.db2.gz VQMLOLGASIIYGG-IBGZPJMESA-N -1 3 377.448 3.316 20 0 GGADHM Brc1ccc2c(c1)N(Cc1cc(-c3nnn[n-]3)ccn1)CC21CC1 ZINC001573278910 946626249 /nfs/dbraw/zinc/62/62/49/946626249.db2.gz ABWONMNUNNPWCX-UHFFFAOYSA-N -1 3 383.253 3.076 20 0 GGADHM Brc1ccc2c(c1)N(Cc1cc(-c3nn[n-]n3)ccn1)CC21CC1 ZINC001573278910 946626256 /nfs/dbraw/zinc/62/62/56/946626256.db2.gz ABWONMNUNNPWCX-UHFFFAOYSA-N -1 3 383.253 3.076 20 0 GGADHM Brc1cnc(N[C@@H](Cc2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC001573279109 946631415 /nfs/dbraw/zinc/63/14/15/946631415.db2.gz CPEQBRAIFVXDDF-HNNXBMFYSA-N -1 3 385.269 3.457 20 0 GGADHM Brc1cnc(N[C@@H](Cc2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC001573279109 946631419 /nfs/dbraw/zinc/63/14/19/946631419.db2.gz CPEQBRAIFVXDDF-HNNXBMFYSA-N -1 3 385.269 3.457 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001573279279 946634469 /nfs/dbraw/zinc/63/44/69/946634469.db2.gz GXRAHEZSZWAFCN-AAEUAGOBSA-N -1 3 378.274 3.104 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001573279279 946634477 /nfs/dbraw/zinc/63/44/77/946634477.db2.gz GXRAHEZSZWAFCN-AAEUAGOBSA-N -1 3 378.274 3.104 20 0 GGADHM CC(C)CN(C(=O)c1ccc2nsnc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255840 946635561 /nfs/dbraw/zinc/63/55/61/946635561.db2.gz ZYJNMCFWIKAUQV-UHFFFAOYSA-N -1 3 379.449 3.174 20 0 GGADHM CC(C)CN(C(=O)c1ccc2nsnc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255840 946635570 /nfs/dbraw/zinc/63/55/70/946635570.db2.gz ZYJNMCFWIKAUQV-UHFFFAOYSA-N -1 3 379.449 3.174 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1NCc1cnn(-c2ccccc2)c1 ZINC001573279291 946636690 /nfs/dbraw/zinc/63/66/90/946636690.db2.gz HCSFEQIDOCOVCM-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1NCc1cnn(-c2ccccc2)c1 ZINC001573279291 946636698 /nfs/dbraw/zinc/63/66/98/946636698.db2.gz HCSFEQIDOCOVCM-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM CC(C)COC(=O)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000824266271 946638673 /nfs/dbraw/zinc/63/86/73/946638673.db2.gz IWYKDQMLJUWQFI-UHFFFAOYSA-N -1 3 399.426 3.196 20 0 GGADHM CC(C)COC(=O)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000824266271 946638681 /nfs/dbraw/zinc/63/86/81/946638681.db2.gz IWYKDQMLJUWQFI-UHFFFAOYSA-N -1 3 399.426 3.196 20 0 GGADHM Brc1cnc(N(Cc2cccs2)C2CC2)cc1-c1nnn[n-]1 ZINC001573279507 946642102 /nfs/dbraw/zinc/64/21/02/946642102.db2.gz JKILSCIYTRPMTD-UHFFFAOYSA-N -1 3 377.271 3.255 20 0 GGADHM Brc1cnc(N(Cc2cccs2)C2CC2)cc1-c1nn[n-]n1 ZINC001573279507 946642107 /nfs/dbraw/zinc/64/21/07/946642107.db2.gz JKILSCIYTRPMTD-UHFFFAOYSA-N -1 3 377.271 3.255 20 0 GGADHM Brc1c(NCc2csc(-c3nnn[n-]3)c2)ccc2nccnc12 ZINC001573279668 946645431 /nfs/dbraw/zinc/64/54/31/946645431.db2.gz LHQJCXCLRLXQPZ-UHFFFAOYSA-N -1 3 388.254 3.246 20 0 GGADHM Brc1cc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001573280023 946652376 /nfs/dbraw/zinc/65/23/76/946652376.db2.gz OGHOEOLYDPUAIS-CHWSQXEVSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1cc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001573280023 946652381 /nfs/dbraw/zinc/65/23/81/946652381.db2.gz OGHOEOLYDPUAIS-CHWSQXEVSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1cnc(NCCc2ccnc3ccccc23)c(-c2nnn[n-]2)c1 ZINC001573280317 946659395 /nfs/dbraw/zinc/65/93/95/946659395.db2.gz PAKLEYIWKOIGNX-UHFFFAOYSA-N -1 3 396.252 3.227 20 0 GGADHM Brc1cnc(NCCc2ccnc3ccccc23)c(-c2nn[n-]n2)c1 ZINC001573280317 946659398 /nfs/dbraw/zinc/65/93/98/946659398.db2.gz PAKLEYIWKOIGNX-UHFFFAOYSA-N -1 3 396.252 3.227 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(C3CC3)n2C2CC2)cc1-c1nnn[n-]1 ZINC000824333016 946661856 /nfs/dbraw/zinc/66/18/56/946661856.db2.gz CNWSAVYWEBYWKB-UHFFFAOYSA-N -1 3 380.456 3.070 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(C3CC3)n2C2CC2)cc1-c1nn[n-]n1 ZINC000824333016 946661867 /nfs/dbraw/zinc/66/18/67/946661867.db2.gz CNWSAVYWEBYWKB-UHFFFAOYSA-N -1 3 380.456 3.070 20 0 GGADHM CC(C)Oc1ccc(NCc2ncc(Br)s2)cc1-c1nnn[n-]1 ZINC000824329684 946662912 /nfs/dbraw/zinc/66/29/12/946662912.db2.gz UKZRAWYZAPHEBQ-UHFFFAOYSA-N -1 3 395.286 3.485 20 0 GGADHM CC(C)Oc1ccc(NCc2ncc(Br)s2)cc1-c1nn[n-]n1 ZINC000824329684 946662916 /nfs/dbraw/zinc/66/29/16/946662916.db2.gz UKZRAWYZAPHEBQ-UHFFFAOYSA-N -1 3 395.286 3.485 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC001573280598 946665755 /nfs/dbraw/zinc/66/57/55/946665755.db2.gz UNWSVDRTFMOXFW-SFHVURJKSA-N -1 3 398.264 3.265 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC001573280598 946665759 /nfs/dbraw/zinc/66/57/59/946665759.db2.gz UNWSVDRTFMOXFW-SFHVURJKSA-N -1 3 398.264 3.265 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2CCC(OC3CCC3)CC2)c1 ZINC001573280630 946666726 /nfs/dbraw/zinc/66/67/26/946666726.db2.gz UZOMLBYAKQAUOV-UHFFFAOYSA-N -1 3 378.274 3.167 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2CCC(OC3CCC3)CC2)c1 ZINC001573280630 946666734 /nfs/dbraw/zinc/66/67/34/946666734.db2.gz UZOMLBYAKQAUOV-UHFFFAOYSA-N -1 3 378.274 3.167 20 0 GGADHM Brc1cc(-c2nnn[n-]2)cnc1NCc1ncc(-c2ccccc2)o1 ZINC001573281106 946672243 /nfs/dbraw/zinc/67/22/43/946672243.db2.gz ZOGBNOGPPQEXHH-UHFFFAOYSA-N -1 3 398.224 3.291 20 0 GGADHM Brc1cc(-c2nn[n-]n2)cnc1NCc1ncc(-c2ccccc2)o1 ZINC001573281106 946672250 /nfs/dbraw/zinc/67/22/50/946672250.db2.gz ZOGBNOGPPQEXHH-UHFFFAOYSA-N -1 3 398.224 3.291 20 0 GGADHM C[C@H](NC(=O)C1=COCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824469661 946720773 /nfs/dbraw/zinc/72/07/73/946720773.db2.gz BIXIKWHLLZPDSA-AWEZNQCLSA-N -1 3 375.432 3.405 20 0 GGADHM C[C@H](NC(=O)C1=COCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824469661 946720779 /nfs/dbraw/zinc/72/07/79/946720779.db2.gz BIXIKWHLLZPDSA-AWEZNQCLSA-N -1 3 375.432 3.405 20 0 GGADHM C[C@@H](NC(=O)[C@@H]1CCSC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472530 946724741 /nfs/dbraw/zinc/72/47/41/946724741.db2.gz WOKUKEWLOFELRZ-FZKQIMNGSA-N -1 3 379.489 3.464 20 0 GGADHM C[C@@H](NC(=O)[C@@H]1CCSC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472530 946724749 /nfs/dbraw/zinc/72/47/49/946724749.db2.gz WOKUKEWLOFELRZ-FZKQIMNGSA-N -1 3 379.489 3.464 20 0 GGADHM C[C@@H](NC(=O)Cc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479474 946730315 /nfs/dbraw/zinc/73/03/15/946730315.db2.gz NYNJKSBRFGCKAV-OAHLLOKOSA-N -1 3 384.443 3.349 20 0 GGADHM C[C@@H](NC(=O)Cc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479474 946730326 /nfs/dbraw/zinc/73/03/26/946730326.db2.gz NYNJKSBRFGCKAV-OAHLLOKOSA-N -1 3 384.443 3.349 20 0 GGADHM C[C@@H](NC(=O)NC1CCOCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499057 946744256 /nfs/dbraw/zinc/74/42/56/946744256.db2.gz NDHYSVSOWBPTMK-CQSZACIVSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@@H](NC(=O)NC1CCOCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499057 946744262 /nfs/dbraw/zinc/74/42/62/946744262.db2.gz NDHYSVSOWBPTMK-CQSZACIVSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@H](NC(=O)NC1CCOCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499056 946744547 /nfs/dbraw/zinc/74/45/47/946744547.db2.gz NDHYSVSOWBPTMK-AWEZNQCLSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@H](NC(=O)NC1CCOCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499056 946744554 /nfs/dbraw/zinc/74/45/54/946744554.db2.gz NDHYSVSOWBPTMK-AWEZNQCLSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@H](NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)C1CCC1 ZINC000824505313 946749759 /nfs/dbraw/zinc/74/97/59/946749759.db2.gz BIYTYNOUHFINQO-JTQLQIEISA-N -1 3 386.847 3.016 20 0 GGADHM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824522907 946760717 /nfs/dbraw/zinc/76/07/17/946760717.db2.gz WPVXZNGELPLGAX-CYBMUJFWSA-N -1 3 386.415 3.125 20 0 GGADHM CC(=O)Nc1cc(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)ccc1Cl ZINC001573542148 946792793 /nfs/dbraw/zinc/79/27/93/946792793.db2.gz ADPGMNCZVYEANM-UHFFFAOYSA-N -1 3 395.810 3.212 20 0 GGADHM CC(=O)Nc1cc(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)ccc1Cl ZINC001573542148 946792803 /nfs/dbraw/zinc/79/28/03/946792803.db2.gz ADPGMNCZVYEANM-UHFFFAOYSA-N -1 3 395.810 3.212 20 0 GGADHM CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c1C ZINC001573542702 946800165 /nfs/dbraw/zinc/80/01/65/946800165.db2.gz LWLONOJPZCVMRZ-DLBZAZTESA-N -1 3 390.447 3.184 20 0 GGADHM CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c1C ZINC001573542702 946800177 /nfs/dbraw/zinc/80/01/77/946800177.db2.gz LWLONOJPZCVMRZ-DLBZAZTESA-N -1 3 390.447 3.184 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001573550566 946864331 /nfs/dbraw/zinc/86/43/31/946864331.db2.gz BQTWZVJBKCRSHL-UHFFFAOYSA-N -1 3 394.822 3.385 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001573550566 946864341 /nfs/dbraw/zinc/86/43/41/946864341.db2.gz BQTWZVJBKCRSHL-UHFFFAOYSA-N -1 3 394.822 3.385 20 0 GGADHM CC(=O)Oc1ccc(COc2cc(-c3nnn[n-]3)ccc2Br)cc1 ZINC001573550656 946865148 /nfs/dbraw/zinc/86/51/48/946865148.db2.gz CVBRMFWOTAWXEB-UHFFFAOYSA-N -1 3 389.209 3.134 20 0 GGADHM CC(=O)Oc1ccc(COc2cc(-c3nn[n-]n3)ccc2Br)cc1 ZINC001573550656 946865162 /nfs/dbraw/zinc/86/51/62/946865162.db2.gz CVBRMFWOTAWXEB-UHFFFAOYSA-N -1 3 389.209 3.134 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001573550706 946865232 /nfs/dbraw/zinc/86/52/32/946865232.db2.gz DBZSQLHQRXPLDU-UHFFFAOYSA-N -1 3 375.432 3.438 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001573550706 946865242 /nfs/dbraw/zinc/86/52/42/946865242.db2.gz DBZSQLHQRXPLDU-UHFFFAOYSA-N -1 3 375.432 3.438 20 0 GGADHM CC(=O)c1c(C)cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001573551161 946867133 /nfs/dbraw/zinc/86/71/33/946867133.db2.gz GUYFCSBEMOTKKD-UHFFFAOYSA-N -1 3 381.461 3.417 20 0 GGADHM CC(=O)c1c(C)cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001573551161 946867143 /nfs/dbraw/zinc/86/71/43/946867143.db2.gz GUYFCSBEMOTKKD-UHFFFAOYSA-N -1 3 381.461 3.417 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1c(C)oc2ccccc21 ZINC001573550930 946868620 /nfs/dbraw/zinc/86/86/20/946868620.db2.gz FASXJOPMZXKDIR-UHFFFAOYSA-N -1 3 375.388 3.305 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1c(C)oc2ccccc21 ZINC001573550930 946868634 /nfs/dbraw/zinc/86/86/34/946868634.db2.gz FASXJOPMZXKDIR-UHFFFAOYSA-N -1 3 375.388 3.305 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C(F)(F)c1c(F)cccc1F ZINC001573552382 946873722 /nfs/dbraw/zinc/87/37/22/946873722.db2.gz OIENUXHVALKEFW-UHFFFAOYSA-N -1 3 393.300 3.078 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C(F)(F)c1c(F)cccc1F ZINC001573552382 946873732 /nfs/dbraw/zinc/87/37/32/946873732.db2.gz OIENUXHVALKEFW-UHFFFAOYSA-N -1 3 393.300 3.078 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1sc(C2CCC2)nc1C ZINC001573552417 946875278 /nfs/dbraw/zinc/87/52/78/946875278.db2.gz OPUDAWXIROXIEZ-UHFFFAOYSA-N -1 3 396.476 3.283 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1sc(C2CCC2)nc1C ZINC001573552417 946875290 /nfs/dbraw/zinc/87/52/90/946875290.db2.gz OPUDAWXIROXIEZ-UHFFFAOYSA-N -1 3 396.476 3.283 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC001573553211 946888027 /nfs/dbraw/zinc/88/80/27/946888027.db2.gz XPBRMMSNIZADIG-QGZVFWFLSA-N -1 3 379.445 3.033 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC001573553211 946888039 /nfs/dbraw/zinc/88/80/39/946888039.db2.gz XPBRMMSNIZADIG-QGZVFWFLSA-N -1 3 379.445 3.033 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccccc1OCC(C)C ZINC001573553446 946888744 /nfs/dbraw/zinc/88/87/44/946888744.db2.gz FWDNHXOGUJNTMM-UHFFFAOYSA-N -1 3 379.420 3.356 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccccc1OCC(C)C ZINC001573553446 946888753 /nfs/dbraw/zinc/88/87/53/946888753.db2.gz FWDNHXOGUJNTMM-UHFFFAOYSA-N -1 3 379.420 3.356 20 0 GGADHM CC(=O)Oc1ccc(COc2nc3c(cc2-c2nnn[n-]2)CCCCC3)cc1 ZINC001573553679 946889587 /nfs/dbraw/zinc/88/95/87/946889587.db2.gz ZKJISBRFRSGLRY-UHFFFAOYSA-N -1 3 379.420 3.035 20 0 GGADHM CC(=O)Oc1ccc(COc2nc3c(cc2-c2nn[n-]n2)CCCCC3)cc1 ZINC001573553679 946889601 /nfs/dbraw/zinc/88/96/01/946889601.db2.gz ZKJISBRFRSGLRY-UHFFFAOYSA-N -1 3 379.420 3.035 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C=Cc1ccnc2ccccc12 ZINC001573553630 946890458 /nfs/dbraw/zinc/89/04/58/946890458.db2.gz YZFUCZIKIRBHJC-VQHVLOKHSA-N -1 3 384.399 3.269 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C=Cc1ccnc2ccccc12 ZINC001573553630 946890465 /nfs/dbraw/zinc/89/04/65/946890465.db2.gz YZFUCZIKIRBHJC-VQHVLOKHSA-N -1 3 384.399 3.269 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC001573554570 946902307 /nfs/dbraw/zinc/90/23/07/946902307.db2.gz XPSPIVYLPJAMRL-UHFFFAOYSA-N -1 3 375.310 3.340 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC001573554570 946902314 /nfs/dbraw/zinc/90/23/14/946902314.db2.gz XPSPIVYLPJAMRL-UHFFFAOYSA-N -1 3 375.310 3.340 20 0 GGADHM CC(=O)c1cccc(OCC(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)c1 ZINC001573555252 946906163 /nfs/dbraw/zinc/90/61/63/946906163.db2.gz IDILPRBYZWYPAH-UHFFFAOYSA-N -1 3 387.399 3.240 20 0 GGADHM CC(=O)c1cccc(OCC(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)c1 ZINC001573555252 946906169 /nfs/dbraw/zinc/90/61/69/946906169.db2.gz IDILPRBYZWYPAH-UHFFFAOYSA-N -1 3 387.399 3.240 20 0 GGADHM CC(=O)c1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)cc1Br)C2 ZINC001573555247 946907051 /nfs/dbraw/zinc/90/70/51/946907051.db2.gz HYIKGJYGNIUTQS-UHFFFAOYSA-N -1 3 398.264 3.348 20 0 GGADHM CC(=O)c1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)cc1Br)C2 ZINC001573555247 946907059 /nfs/dbraw/zinc/90/70/59/946907059.db2.gz HYIKGJYGNIUTQS-UHFFFAOYSA-N -1 3 398.264 3.348 20 0 GGADHM CC(=O)c1ccc2nc(NC(=O)c3cc(-c4nnn[n-]4)ccc3C)sc2c1 ZINC001573555237 946908062 /nfs/dbraw/zinc/90/80/62/946908062.db2.gz HNXLVBZXNYRUNH-UHFFFAOYSA-N -1 3 378.417 3.240 20 0 GGADHM CC(=O)c1ccc2nc(NC(=O)c3cc(-c4nn[n-]n4)ccc3C)sc2c1 ZINC001573555237 946908074 /nfs/dbraw/zinc/90/80/74/946908074.db2.gz HNXLVBZXNYRUNH-UHFFFAOYSA-N -1 3 378.417 3.240 20 0 GGADHM CC(=O)c1ccc2ccccc2c1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001573556125 946921269 /nfs/dbraw/zinc/92/12/69/946921269.db2.gz WXOMGDAOFGDEKD-UHFFFAOYSA-N -1 3 387.399 3.240 20 0 GGADHM CC(=O)c1ccc2ccccc2c1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001573556125 946921286 /nfs/dbraw/zinc/92/12/86/946921286.db2.gz WXOMGDAOFGDEKD-UHFFFAOYSA-N -1 3 387.399 3.240 20 0 GGADHM CC(=O)c1ccc2nc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)sc2c1 ZINC001573556150 946923800 /nfs/dbraw/zinc/92/38/00/946923800.db2.gz YMGOXHSCCMDRBX-CLFYSBASSA-N -1 3 390.428 3.331 20 0 GGADHM CC(=O)c1ccc2nc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)sc2c1 ZINC001573556150 946923805 /nfs/dbraw/zinc/92/38/05/946923805.db2.gz YMGOXHSCCMDRBX-CLFYSBASSA-N -1 3 390.428 3.331 20 0 GGADHM CC(=O)c1ccc(C(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC001573556331 946926535 /nfs/dbraw/zinc/92/65/35/946926535.db2.gz PBMVACAWMDZKMA-ZDUSSCGKSA-N -1 3 395.366 3.164 20 0 GGADHM CC(=O)c1ccc(C(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC001573556331 946926542 /nfs/dbraw/zinc/92/65/42/946926542.db2.gz PBMVACAWMDZKMA-ZDUSSCGKSA-N -1 3 395.366 3.164 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824867751 946961562 /nfs/dbraw/zinc/96/15/62/946961562.db2.gz QZFSKGWVMKLYJJ-RHSMWYFYSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824867751 946961570 /nfs/dbraw/zinc/96/15/70/946961570.db2.gz QZFSKGWVMKLYJJ-RHSMWYFYSA-N -1 3 393.447 3.199 20 0 GGADHM CC1CCC(OC2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)CC1 ZINC000824919319 946993398 /nfs/dbraw/zinc/99/33/98/946993398.db2.gz TWIKNUAQIRFODR-UHFFFAOYSA-N -1 3 381.484 3.079 20 0 GGADHM CC1CCC(OC2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)CC1 ZINC000824919319 946993406 /nfs/dbraw/zinc/99/34/06/946993406.db2.gz TWIKNUAQIRFODR-UHFFFAOYSA-N -1 3 381.484 3.079 20 0 GGADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824929109 946996362 /nfs/dbraw/zinc/99/63/62/946996362.db2.gz VYQUOMPEXAAIPT-GWCFXTLKSA-N -1 3 386.847 3.016 20 0 GGADHM C[C@H]1OCCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@@H]1C ZINC000825019536 947046708 /nfs/dbraw/zinc/04/67/08/947046708.db2.gz DRMVXPGISXNWFT-ZIAGYGMSSA-N -1 3 394.435 3.300 20 0 GGADHM C[C@H]1OCCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000825019536 947046722 /nfs/dbraw/zinc/04/67/22/947046722.db2.gz DRMVXPGISXNWFT-ZIAGYGMSSA-N -1 3 394.435 3.300 20 0 GGADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825060112 947062905 /nfs/dbraw/zinc/06/29/05/947062905.db2.gz NLKSZCAUEAREIX-QWRGUYRKSA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@@H](C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000825066777 947066591 /nfs/dbraw/zinc/06/65/91/947066591.db2.gz FBIIWKZCPXISIY-CQSZACIVSA-N -1 3 389.463 3.316 20 0 GGADHM CCC1(CC)CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000825171963 947109916 /nfs/dbraw/zinc/10/99/16/947109916.db2.gz XGNLKVSOZSDFMR-SFHVURJKSA-N -1 3 377.448 3.005 20 0 GGADHM CCC1(CC)CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000825171963 947109918 /nfs/dbraw/zinc/10/99/18/947109918.db2.gz XGNLKVSOZSDFMR-SFHVURJKSA-N -1 3 377.448 3.005 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3C)CC2)O1 ZINC000825183372 947110297 /nfs/dbraw/zinc/11/02/97/947110297.db2.gz OFNARXUUWADVHX-FLAMNCDFSA-N -1 3 399.495 3.399 20 0 GGADHM CCC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCN1Cc1ccccc1 ZINC000825253546 947132873 /nfs/dbraw/zinc/13/28/73/947132873.db2.gz NXEYTKYBBSRXNQ-MRXNPFEDSA-N -1 3 396.520 3.055 20 0 GGADHM CCC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1Cc1ccccc1 ZINC000825253546 947132880 /nfs/dbraw/zinc/13/28/80/947132880.db2.gz NXEYTKYBBSRXNQ-MRXNPFEDSA-N -1 3 396.520 3.055 20 0 GGADHM CCCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C1CC1 ZINC000825301254 947148733 /nfs/dbraw/zinc/14/87/33/947148733.db2.gz KQPQIHKBPBQEJX-UHFFFAOYSA-N -1 3 386.847 3.112 20 0 GGADHM CCCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C1CC1 ZINC000825301254 947148739 /nfs/dbraw/zinc/14/87/39/947148739.db2.gz KQPQIHKBPBQEJX-UHFFFAOYSA-N -1 3 386.847 3.112 20 0 GGADHM CCOC(=O)Nc1ccc(N[C@@H]2C[C@@H](OCC)C23CCC3)cc1-c1nnn[n-]1 ZINC000825553844 947219179 /nfs/dbraw/zinc/21/91/79/947219179.db2.gz YAPIFJGQYNFYOW-HZPDHXFCSA-N -1 3 386.456 3.195 20 0 GGADHM CCOC(=O)Nc1ccc(N[C@@H]2C[C@@H](OCC)C23CCC3)cc1-c1nn[n-]n1 ZINC000825553844 947219187 /nfs/dbraw/zinc/21/91/87/947219187.db2.gz YAPIFJGQYNFYOW-HZPDHXFCSA-N -1 3 386.456 3.195 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000825625731 947261227 /nfs/dbraw/zinc/26/12/27/947261227.db2.gz CKLCZJSKLNKINM-ZDUSSCGKSA-N -1 3 396.451 3.103 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000825625731 947261237 /nfs/dbraw/zinc/26/12/37/947261237.db2.gz CKLCZJSKLNKINM-ZDUSSCGKSA-N -1 3 396.451 3.103 20 0 GGADHM CCc1cc(C(=O)OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3C)CC2)n[nH]1 ZINC000825694623 947293082 /nfs/dbraw/zinc/29/30/82/947293082.db2.gz WZHOPXPMYDGQLV-UHFFFAOYSA-N -1 3 395.467 3.041 20 0 GGADHM CCc1cnccc1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825739546 947307566 /nfs/dbraw/zinc/30/75/66/947307566.db2.gz FPYVQDOUQQVNCL-UHFFFAOYSA-N -1 3 399.458 3.498 20 0 GGADHM CCc1noc(CC)c1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000825775987 947326490 /nfs/dbraw/zinc/32/64/90/947326490.db2.gz BXEGTZWMBSYBSI-UHFFFAOYSA-N -1 3 377.246 3.354 20 0 GGADHM CCc1noc(CC)c1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000825775987 947326499 /nfs/dbraw/zinc/32/64/99/947326499.db2.gz BXEGTZWMBSYBSI-UHFFFAOYSA-N -1 3 377.246 3.354 20 0 GGADHM CCn1c2ccc(F)cc2nc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825792578 947330574 /nfs/dbraw/zinc/33/05/74/947330574.db2.gz AWJHPCAXWHDDJR-UHFFFAOYSA-N -1 3 397.439 3.106 20 0 GGADHM CCn1c2ccc(F)cc2nc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825792578 947330585 /nfs/dbraw/zinc/33/05/85/947330585.db2.gz AWJHPCAXWHDDJR-UHFFFAOYSA-N -1 3 397.439 3.106 20 0 GGADHM CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825793056 947332228 /nfs/dbraw/zinc/33/22/28/947332228.db2.gz LCPPJQDNAAQJOC-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825793056 947332242 /nfs/dbraw/zinc/33/22/42/947332242.db2.gz LCPPJQDNAAQJOC-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CN(C[C@H]1CC=CCC1)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000825909368 947368964 /nfs/dbraw/zinc/36/89/64/947368964.db2.gz XDCPTZCPLXMQEO-HNNXBMFYSA-N -1 3 393.447 3.467 20 0 GGADHM CN(C[C@H]1CC=CCC1)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000825909368 947368976 /nfs/dbraw/zinc/36/89/76/947368976.db2.gz XDCPTZCPLXMQEO-HNNXBMFYSA-N -1 3 393.447 3.467 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccccc1C)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111270 947432559 /nfs/dbraw/zinc/43/25/59/947432559.db2.gz CBVXAAYJCVLXAL-RBUKOAKNSA-N -1 3 377.448 3.130 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccccc1C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111270 947432568 /nfs/dbraw/zinc/43/25/68/947432568.db2.gz CBVXAAYJCVLXAL-RBUKOAKNSA-N -1 3 377.448 3.130 20 0 GGADHM CO[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000826146400 947464927 /nfs/dbraw/zinc/46/49/27/947464927.db2.gz VJAINBHISYSDMY-IBGZPJMESA-N -1 3 392.463 3.251 20 0 GGADHM COCC(C)(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826148060 947473747 /nfs/dbraw/zinc/47/37/47/947473747.db2.gz XJKGUYLWDRDYSR-CQSZACIVSA-N -1 3 379.464 3.384 20 0 GGADHM COCC(C)(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826148060 947473753 /nfs/dbraw/zinc/47/37/53/947473753.db2.gz XJKGUYLWDRDYSR-CQSZACIVSA-N -1 3 379.464 3.384 20 0 GGADHM COC[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826148243 947478173 /nfs/dbraw/zinc/47/81/73/947478173.db2.gz CUUNNKYYJGTZNB-LSDHHAIUSA-N -1 3 394.479 3.176 20 0 GGADHM COC[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826148243 947478179 /nfs/dbraw/zinc/47/81/79/947478179.db2.gz CUUNNKYYJGTZNB-LSDHHAIUSA-N -1 3 394.479 3.176 20 0 GGADHM COCc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826165077 947518233 /nfs/dbraw/zinc/51/82/33/947518233.db2.gz DTNJWDCWHVDCSW-UHFFFAOYSA-N -1 3 396.375 3.033 20 0 GGADHM COCc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826165077 947518241 /nfs/dbraw/zinc/51/82/41/947518241.db2.gz DTNJWDCWHVDCSW-UHFFFAOYSA-N -1 3 396.375 3.033 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(Br)cc1F ZINC000826170944 947533398 /nfs/dbraw/zinc/53/33/98/947533398.db2.gz WFYWDVMEXFBIFW-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(Br)cc1F ZINC000826170944 947533413 /nfs/dbraw/zinc/53/34/13/947533413.db2.gz WFYWDVMEXFBIFW-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1OCC(F)(F)F ZINC000826171036 947535238 /nfs/dbraw/zinc/53/52/38/947535238.db2.gz ZLWLYBVUAVCSEU-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1OCC(F)(F)F ZINC000826171036 947535244 /nfs/dbraw/zinc/53/52/44/947535244.db2.gz ZLWLYBVUAVCSEU-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM C[C@H](C(=O)N1CC(=O)Nc2ccc(-c3nnn[n-]3)cc21)c1ccc2ccccc2c1 ZINC001573607334 947545722 /nfs/dbraw/zinc/54/57/22/947545722.db2.gz KEDGUMLTWFUFOJ-ZDUSSCGKSA-N -1 3 398.426 3.109 20 0 GGADHM C[C@H](C(=O)N1CC(=O)Nc2ccc(-c3nn[n-]n3)cc21)c1ccc2ccccc2c1 ZINC001573607334 947545731 /nfs/dbraw/zinc/54/57/31/947545731.db2.gz KEDGUMLTWFUFOJ-ZDUSSCGKSA-N -1 3 398.426 3.109 20 0 GGADHM COc1cc2[nH]c(CCCNc3nccc(C)c3-c3nnn[n-]3)cc2c(OC)c1 ZINC000826181366 947561208 /nfs/dbraw/zinc/56/12/08/947561208.db2.gz WGOAPZFCCRIWDI-UHFFFAOYSA-N -1 3 393.451 3.113 20 0 GGADHM COc1cc2[nH]c(CCCNc3nccc(C)c3-c3nn[n-]n3)cc2c(OC)c1 ZINC000826181366 947561215 /nfs/dbraw/zinc/56/12/15/947561215.db2.gz WGOAPZFCCRIWDI-UHFFFAOYSA-N -1 3 393.451 3.113 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1ccc2[nH]ccc2c1 ZINC000826184115 947564384 /nfs/dbraw/zinc/56/43/84/947564384.db2.gz LMZHKWRYZXOITE-UHFFFAOYSA-N -1 3 377.404 3.033 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1ccc2[nH]ccc2c1 ZINC000826184115 947564400 /nfs/dbraw/zinc/56/44/00/947564400.db2.gz LMZHKWRYZXOITE-UHFFFAOYSA-N -1 3 377.404 3.033 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826183997 947564682 /nfs/dbraw/zinc/56/46/82/947564682.db2.gz HQWDKHWWFCYSEH-HNNXBMFYSA-N -1 3 384.823 3.302 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H]1CCc2c1cccc2Cl ZINC000826183997 947564688 /nfs/dbraw/zinc/56/46/88/947564688.db2.gz HQWDKHWWFCYSEH-HNNXBMFYSA-N -1 3 384.823 3.302 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000826186428 947570848 /nfs/dbraw/zinc/57/08/48/947570848.db2.gz RXCLWVAQLNZLFK-UHFFFAOYSA-N -1 3 396.794 3.436 20 0 GGADHM COc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187425 947571903 /nfs/dbraw/zinc/57/19/03/947571903.db2.gz PMAPZSNNNUWYRZ-CYBMUJFWSA-N -1 3 380.404 3.143 20 0 GGADHM COc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187425 947571911 /nfs/dbraw/zinc/57/19/11/947571911.db2.gz PMAPZSNNNUWYRZ-CYBMUJFWSA-N -1 3 380.404 3.143 20 0 GGADHM COc1ccc([C@H](NCc2ccc(OC)c(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826189201 947577020 /nfs/dbraw/zinc/57/70/20/947577020.db2.gz PPLDRSRGGGSLMZ-INIZCTEOSA-N -1 3 393.369 3.277 20 0 GGADHM COc1ccc([C@H](NCc2ccc(OC)c(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826189201 947577025 /nfs/dbraw/zinc/57/70/25/947577025.db2.gz PPLDRSRGGGSLMZ-INIZCTEOSA-N -1 3 393.369 3.277 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC000826217347 947638574 /nfs/dbraw/zinc/63/85/74/947638574.db2.gz IQNOKVUAUBTGRR-LBPRGKRZSA-N -1 3 377.404 3.204 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC000826217347 947638579 /nfs/dbraw/zinc/63/85/79/947638579.db2.gz IQNOKVUAUBTGRR-LBPRGKRZSA-N -1 3 377.404 3.204 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC000826217346 947639105 /nfs/dbraw/zinc/63/91/05/947639105.db2.gz IQNOKVUAUBTGRR-GFCCVEGCSA-N -1 3 377.404 3.204 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC000826217346 947639113 /nfs/dbraw/zinc/63/91/13/947639113.db2.gz IQNOKVUAUBTGRR-GFCCVEGCSA-N -1 3 377.404 3.204 20 0 GGADHM COc1ccccc1[C@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nccn1C ZINC000826218955 947650204 /nfs/dbraw/zinc/65/02/04/947650204.db2.gz PCEVYXAKBYWBKQ-KUHUBIRLSA-N -1 3 389.463 3.049 20 0 GGADHM COc1ccccc1[C@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nccn1C ZINC000826218955 947650211 /nfs/dbraw/zinc/65/02/11/947650211.db2.gz PCEVYXAKBYWBKQ-KUHUBIRLSA-N -1 3 389.463 3.049 20 0 GGADHM C[S@@](=O)Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000826224800 947662312 /nfs/dbraw/zinc/66/23/12/947662312.db2.gz LZCBHDQAHOJGSJ-RUZDIDTESA-N -1 3 379.848 3.150 20 0 GGADHM C[S@@](=O)Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000826224800 947662320 /nfs/dbraw/zinc/66/23/20/947662320.db2.gz LZCBHDQAHOJGSJ-RUZDIDTESA-N -1 3 379.848 3.150 20 0 GGADHM CSCC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nnc2ccccn21 ZINC000826228513 947669186 /nfs/dbraw/zinc/66/91/86/947669186.db2.gz REPCCAUSHSOQAC-BBRMVZONSA-N -1 3 394.508 3.054 20 0 GGADHM C[C@H](C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000826232022 947679895 /nfs/dbraw/zinc/67/98/95/947679895.db2.gz FAQXXBVPRIDPDH-HNNXBMFYSA-N -1 3 377.448 3.040 20 0 GGADHM C[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000826232022 947679900 /nfs/dbraw/zinc/67/99/00/947679900.db2.gz FAQXXBVPRIDPDH-HNNXBMFYSA-N -1 3 377.448 3.040 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)cnn1C ZINC000826234177 947687441 /nfs/dbraw/zinc/68/74/41/947687441.db2.gz LCPXXLCPQUXUCP-CYBMUJFWSA-N -1 3 387.447 3.067 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)cnn1C ZINC000826234177 947687448 /nfs/dbraw/zinc/68/74/48/947687448.db2.gz LCPXXLCPQUXUCP-CYBMUJFWSA-N -1 3 387.447 3.067 20 0 GGADHM CC(=CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)c1cnccn1 ZINC001573362039 947698101 /nfs/dbraw/zinc/69/81/01/947698101.db2.gz HPJUSZFVDJAPOX-SDNWHVSQSA-N -1 3 399.414 3.491 20 0 GGADHM CC(=CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)c1cnccn1 ZINC001573362039 947698107 /nfs/dbraw/zinc/69/81/07/947698107.db2.gz HPJUSZFVDJAPOX-SDNWHVSQSA-N -1 3 399.414 3.491 20 0 GGADHM Cc1c(Cl)cnc(NCc2cccc(OCC(F)F)c2)c1-c1nnn[n-]1 ZINC000826240402 947711201 /nfs/dbraw/zinc/71/12/01/947711201.db2.gz QQBJKLOBTNZRKK-UHFFFAOYSA-N -1 3 380.786 3.480 20 0 GGADHM Cc1c(Cl)cnc(NCc2cccc(OCC(F)F)c2)c1-c1nn[n-]n1 ZINC000826240402 947711209 /nfs/dbraw/zinc/71/12/09/947711209.db2.gz QQBJKLOBTNZRKK-UHFFFAOYSA-N -1 3 380.786 3.480 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1cccs1 ZINC001573363912 947715469 /nfs/dbraw/zinc/71/54/69/947715469.db2.gz OHKJMOOVLUJEEH-ZGSOTFDTSA-N -1 3 380.477 3.490 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1cccs1 ZINC001573363912 947715474 /nfs/dbraw/zinc/71/54/74/947715474.db2.gz OHKJMOOVLUJEEH-ZGSOTFDTSA-N -1 3 380.477 3.490 20 0 GGADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001573364135 947721230 /nfs/dbraw/zinc/72/12/30/947721230.db2.gz GONXYCJBSCPOOA-XFFZJAGNSA-N -1 3 396.838 3.030 20 0 GGADHM CC(=CC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1C ZINC001573364917 947723821 /nfs/dbraw/zinc/72/38/21/947723821.db2.gz RVHDVDUEMSQHDB-DTQAZKPQSA-N -1 3 388.475 3.380 20 0 GGADHM CC(=CC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccc1C ZINC001573364917 947723828 /nfs/dbraw/zinc/72/38/28/947723828.db2.gz RVHDVDUEMSQHDB-DTQAZKPQSA-N -1 3 388.475 3.380 20 0 GGADHM C/C(=C/C1CCC(C)CC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001573365024 947727045 /nfs/dbraw/zinc/72/70/45/947727045.db2.gz KUYZHBWZXMCALT-ICFOKQHNSA-N -1 3 394.523 3.288 20 0 GGADHM C/C(=C/C1CCC(C)CC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001573365024 947727051 /nfs/dbraw/zinc/72/70/51/947727051.db2.gz KUYZHBWZXMCALT-ICFOKQHNSA-N -1 3 394.523 3.288 20 0 GGADHM C/C(=C/c1ccccc1)CN(C)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001573365287 947730696 /nfs/dbraw/zinc/73/06/96/947730696.db2.gz MCDMKCZRKLGJLP-PEZBUJJGSA-N -1 3 376.464 3.154 20 0 GGADHM C/C(=C/c1ccccc1)CN(C)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001573365287 947730705 /nfs/dbraw/zinc/73/07/05/947730705.db2.gz MCDMKCZRKLGJLP-PEZBUJJGSA-N -1 3 376.464 3.154 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1Cl ZINC001573365262 947730732 /nfs/dbraw/zinc/73/07/32/947730732.db2.gz SXIWRUIXYCXOIP-LJEUOOAZSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1Cl ZINC001573365262 947730737 /nfs/dbraw/zinc/73/07/37/947730737.db2.gz SXIWRUIXYCXOIP-LJEUOOAZSA-N -1 3 379.851 3.207 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000826254474 947733197 /nfs/dbraw/zinc/73/31/97/947733197.db2.gz NENPOCYMWODCAJ-VFPGXZCRSA-N -1 3 399.495 3.257 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)C2CC(F)(F)C2)CC1 ZINC000826254604 947733420 /nfs/dbraw/zinc/73/34/20/947733420.db2.gz STTHXKCWZAHKBD-UHFFFAOYSA-N -1 3 391.422 3.487 20 0 GGADHM Cc1cc(-n2cccn2)ccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826256553 947738695 /nfs/dbraw/zinc/73/86/95/947738695.db2.gz PDUXEABKELGIDI-NTMALXAHSA-N -1 3 386.415 3.117 20 0 GGADHM Cc1cc(-n2cccn2)ccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826256553 947738703 /nfs/dbraw/zinc/73/87/03/947738703.db2.gz PDUXEABKELGIDI-NTMALXAHSA-N -1 3 386.415 3.117 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573366417 947739166 /nfs/dbraw/zinc/73/91/66/947739166.db2.gz PVIYADIBLSCKOX-UVTDQMKNSA-N -1 3 399.414 3.491 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573366417 947739178 /nfs/dbraw/zinc/73/91/78/947739178.db2.gz PVIYADIBLSCKOX-UVTDQMKNSA-N -1 3 399.414 3.491 20 0 GGADHM CC(=Cc1ccco1)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001573366411 947739998 /nfs/dbraw/zinc/73/99/98/947739998.db2.gz PTCIYPJEWRMMDS-PKNBQFBNSA-N -1 3 395.810 3.341 20 0 GGADHM CC(=Cc1ccco1)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001573366411 947740010 /nfs/dbraw/zinc/74/00/10/947740010.db2.gz PTCIYPJEWRMMDS-PKNBQFBNSA-N -1 3 395.810 3.341 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n(C)n1 ZINC000826258466 947744979 /nfs/dbraw/zinc/74/49/79/947744979.db2.gz MNIKOSNDUULTFZ-AWEZNQCLSA-N -1 3 387.447 3.067 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n(C)n1 ZINC000826258466 947744984 /nfs/dbraw/zinc/74/49/84/947744984.db2.gz MNIKOSNDUULTFZ-AWEZNQCLSA-N -1 3 387.447 3.067 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573366853 947746833 /nfs/dbraw/zinc/74/68/33/947746833.db2.gz UJUVMBIYFSZGQC-QQBNSCQMSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573366853 947746840 /nfs/dbraw/zinc/74/68/40/947746840.db2.gz UJUVMBIYFSZGQC-QQBNSCQMSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573366812 947747282 /nfs/dbraw/zinc/74/72/82/947747282.db2.gz YNUNUIYIPVDYNR-QINSGFPZSA-N -1 3 386.415 3.491 20 0 GGADHM CC(=CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573366812 947747294 /nfs/dbraw/zinc/74/72/94/947747294.db2.gz YNUNUIYIPVDYNR-QINSGFPZSA-N -1 3 386.415 3.491 20 0 GGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826265014 947763518 /nfs/dbraw/zinc/76/35/18/947763518.db2.gz JJBINKIDVUCWNY-CQSZACIVSA-N -1 3 386.891 3.096 20 0 GGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826265014 947763524 /nfs/dbraw/zinc/76/35/24/947763524.db2.gz JJBINKIDVUCWNY-CQSZACIVSA-N -1 3 386.891 3.096 20 0 GGADHM Cc1ccc([C@H](C)C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000826283345 947815864 /nfs/dbraw/zinc/81/58/64/947815864.db2.gz OWQIFZPMAVHVMI-NSHDSACASA-N -1 3 397.826 3.349 20 0 GGADHM Cc1ccc([C@H](C)C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000826283345 947815872 /nfs/dbraw/zinc/81/58/72/947815872.db2.gz OWQIFZPMAVHVMI-NSHDSACASA-N -1 3 397.826 3.349 20 0 GGADHM Cc1ccccc1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826307148 947881910 /nfs/dbraw/zinc/88/19/10/947881910.db2.gz XOLNJNIVYAMXMG-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1ccccc1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826307148 947881922 /nfs/dbraw/zinc/88/19/22/947881922.db2.gz XOLNJNIVYAMXMG-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1ccccc1CNc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826307841 947885573 /nfs/dbraw/zinc/88/55/73/947885573.db2.gz YKCFEIVCMDIHBC-UHFFFAOYSA-N -1 3 387.447 3.378 20 0 GGADHM Cc1ccccc1CNc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826307841 947885583 /nfs/dbraw/zinc/88/55/83/947885583.db2.gz YKCFEIVCMDIHBC-UHFFFAOYSA-N -1 3 387.447 3.378 20 0 GGADHM Cc1ccnc(N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311766 947901869 /nfs/dbraw/zinc/90/18/69/947901869.db2.gz MTYNIHWJSKMXBH-BEFAXECRSA-N -1 3 394.479 3.307 20 0 GGADHM Cc1ccnc(N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311766 947901871 /nfs/dbraw/zinc/90/18/71/947901871.db2.gz MTYNIHWJSKMXBH-BEFAXECRSA-N -1 3 394.479 3.307 20 0 GGADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000826317651 947930064 /nfs/dbraw/zinc/93/00/64/947930064.db2.gz KGHQGPYIJCMIMT-QMMMGPOBSA-N -1 3 381.318 3.065 20 0 GGADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000826317651 947930074 /nfs/dbraw/zinc/93/00/74/947930074.db2.gz KGHQGPYIJCMIMT-QMMMGPOBSA-N -1 3 381.318 3.065 20 0 GGADHM Cc1cnc([C@@H](C)NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826317754 947930095 /nfs/dbraw/zinc/93/00/95/947930095.db2.gz MOLQAAVNEYJVLC-CYBMUJFWSA-N -1 3 395.492 3.192 20 0 GGADHM Cc1cnc([C@@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826317754 947930110 /nfs/dbraw/zinc/93/01/10/947930110.db2.gz MOLQAAVNEYJVLC-CYBMUJFWSA-N -1 3 395.492 3.192 20 0 GGADHM Cc1nc(C)c(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)s1 ZINC000826324104 947947340 /nfs/dbraw/zinc/94/73/40/947947340.db2.gz DUDHJECIWWVSIO-UHFFFAOYSA-N -1 3 386.872 3.391 20 0 GGADHM Cc1noc(C2CC2)c1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000826339653 947976687 /nfs/dbraw/zinc/97/66/87/947976687.db2.gz NIEQJEMAZJHGNC-QMMMGPOBSA-N -1 3 384.465 3.479 20 0 GGADHM Cc1noc(C2CC2)c1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826339653 947976698 /nfs/dbraw/zinc/97/66/98/947976698.db2.gz NIEQJEMAZJHGNC-QMMMGPOBSA-N -1 3 384.465 3.479 20 0 GGADHM C[C@@H](C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1)[C@@H](C)C(C)(C)C ZINC001573664003 948046328 /nfs/dbraw/zinc/04/63/28/948046328.db2.gz QJGBFJDWXZEYTQ-HUUCEWRRSA-N -1 3 385.512 3.307 20 0 GGADHM C[C@@H](C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1)[C@@H](C)C(C)(C)C ZINC001573664003 948046337 /nfs/dbraw/zinc/04/63/37/948046337.db2.gz QJGBFJDWXZEYTQ-HUUCEWRRSA-N -1 3 385.512 3.307 20 0 GGADHM Clc1ccc(N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)cc1Cl ZINC000826351911 948100000 /nfs/dbraw/zinc/10/00/00/948100000.db2.gz GWUYMMLXIWKIAY-UHFFFAOYSA-N -1 3 390.278 3.285 20 0 GGADHM Clc1ccc(N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)cc1Cl ZINC000826351911 948100006 /nfs/dbraw/zinc/10/00/06/948100006.db2.gz GWUYMMLXIWKIAY-UHFFFAOYSA-N -1 3 390.278 3.285 20 0 GGADHM Clc1ccc(-n2ccc(NCc3ccc4c[nH]nc4c3)n2)c(-c2nnn[n-]2)c1 ZINC000826351476 948100932 /nfs/dbraw/zinc/10/09/32/948100932.db2.gz NXCIUQUMXOLMBE-UHFFFAOYSA-N -1 3 391.826 3.194 20 0 GGADHM Clc1ccc(-n2ccc(NCc3ccc4c[nH]nc4c3)n2)c(-c2nn[n-]n2)c1 ZINC000826351476 948100935 /nfs/dbraw/zinc/10/09/35/948100935.db2.gz NXCIUQUMXOLMBE-UHFFFAOYSA-N -1 3 391.826 3.194 20 0 GGADHM Clc1cc2c(c(CN3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)c1)OCC2 ZINC000826351733 948100946 /nfs/dbraw/zinc/10/09/46/948100946.db2.gz YGBJOZKFBAEXNG-GOSISDBHSA-N -1 3 397.866 3.029 20 0 GGADHM Clc1cc2c(c(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)c1)OCC2 ZINC000826351733 948100950 /nfs/dbraw/zinc/10/09/50/948100950.db2.gz YGBJOZKFBAEXNG-GOSISDBHSA-N -1 3 397.866 3.029 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000826358198 948113184 /nfs/dbraw/zinc/11/31/84/948113184.db2.gz JZTSNXXLFVNKGR-UHFFFAOYSA-N -1 3 395.373 3.479 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000826358198 948113187 /nfs/dbraw/zinc/11/31/87/948113187.db2.gz JZTSNXXLFVNKGR-UHFFFAOYSA-N -1 3 395.373 3.479 20 0 GGADHM C[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc2ccccc2c1 ZINC001573677358 948136390 /nfs/dbraw/zinc/13/63/90/948136390.db2.gz CSQFIOJZXJENST-SPLOXXLWSA-N -1 3 383.455 3.407 20 0 GGADHM C[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc2ccccc2c1 ZINC001573677358 948136397 /nfs/dbraw/zinc/13/63/97/948136397.db2.gz CSQFIOJZXJENST-SPLOXXLWSA-N -1 3 383.455 3.407 20 0 GGADHM C[C@H](C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc2ccccc2c1 ZINC001573677356 948136706 /nfs/dbraw/zinc/13/67/06/948136706.db2.gz CSQFIOJZXJENST-LHSJRXKWSA-N -1 3 383.455 3.407 20 0 GGADHM C[C@H](C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc2ccccc2c1 ZINC001573677356 948136709 /nfs/dbraw/zinc/13/67/09/948136709.db2.gz CSQFIOJZXJENST-LHSJRXKWSA-N -1 3 383.455 3.407 20 0 GGADHM FC(F)(F)[C@H]1CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000826367932 948145761 /nfs/dbraw/zinc/14/57/61/948145761.db2.gz UXYQUCWJYUPOTK-QMMMGPOBSA-N -1 3 376.180 3.408 20 0 GGADHM FC(F)(F)[C@H]1CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826367932 948145767 /nfs/dbraw/zinc/14/57/67/948145767.db2.gz UXYQUCWJYUPOTK-QMMMGPOBSA-N -1 3 376.180 3.408 20 0 GGADHM FC(F)(F)[C@H](NCc1cnn(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826366857 948146659 /nfs/dbraw/zinc/14/66/59/948146659.db2.gz AUOGKONNJVPEJD-QGZVFWFLSA-N -1 3 399.380 3.446 20 0 GGADHM FC(F)(F)[C@H](NCc1cnn(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826366857 948146664 /nfs/dbraw/zinc/14/66/64/948146664.db2.gz AUOGKONNJVPEJD-QGZVFWFLSA-N -1 3 399.380 3.446 20 0 GGADHM FC(F)(F)c1cc(Sc2ccc3nccnc3n2)ccc1-c1nnn[n-]1 ZINC000826368314 948148506 /nfs/dbraw/zinc/14/85/06/948148506.db2.gz LITAGSNCCIRHPZ-UHFFFAOYSA-N -1 3 375.339 3.375 20 0 GGADHM FC(F)(F)c1cc(Sc2ccc3nccnc3n2)ccc1-c1nn[n-]n1 ZINC000826368314 948148513 /nfs/dbraw/zinc/14/85/13/948148513.db2.gz LITAGSNCCIRHPZ-UHFFFAOYSA-N -1 3 375.339 3.375 20 0 GGADHM Fc1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2nnn[n-]2)c1 ZINC000826375244 948162551 /nfs/dbraw/zinc/16/25/51/948162551.db2.gz FFSKYZWWVKNIJF-NSHDSACASA-N -1 3 381.337 3.063 20 0 GGADHM Fc1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2nn[n-]n2)c1 ZINC000826375244 948162556 /nfs/dbraw/zinc/16/25/56/948162556.db2.gz FFSKYZWWVKNIJF-NSHDSACASA-N -1 3 381.337 3.063 20 0 GGADHM Fc1cccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1-c1nnn[n-]1 ZINC000826377434 948169769 /nfs/dbraw/zinc/16/97/69/948169769.db2.gz RWOBYOQBKJFVBK-SNVBAGLBSA-N -1 3 381.337 3.063 20 0 GGADHM Fc1cccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1-c1nn[n-]n1 ZINC000826377434 948169776 /nfs/dbraw/zinc/16/97/76/948169776.db2.gz RWOBYOQBKJFVBK-SNVBAGLBSA-N -1 3 381.337 3.063 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N1CCC(c2ccccc2)=N1 ZINC000826421010 948264563 /nfs/dbraw/zinc/26/45/63/948264563.db2.gz NMGAAURXZXZKTE-UHFFFAOYSA-N -1 3 398.879 3.249 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N1CCC(c2ccccc2)=N1 ZINC000826421010 948264570 /nfs/dbraw/zinc/26/45/70/948264570.db2.gz NMGAAURXZXZKTE-UHFFFAOYSA-N -1 3 398.879 3.249 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000826422682 948270249 /nfs/dbraw/zinc/27/02/49/948270249.db2.gz IDUNFYBZWQAJFA-UHFFFAOYSA-N -1 3 385.830 3.050 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000826422682 948270258 /nfs/dbraw/zinc/27/02/58/948270258.db2.gz IDUNFYBZWQAJFA-UHFFFAOYSA-N -1 3 385.830 3.050 20 0 GGADHM O=C(NC[C@H]1CC=CCC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826434450 948288806 /nfs/dbraw/zinc/28/88/06/948288806.db2.gz NCZHPGCHBYTQNQ-LBPRGKRZSA-N -1 3 398.858 3.184 20 0 GGADHM O=C(NCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCC1 ZINC000826439385 948297529 /nfs/dbraw/zinc/29/75/29/948297529.db2.gz RZPQUIALVNWVCH-UHFFFAOYSA-N -1 3 385.415 3.284 20 0 GGADHM O=C(NCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000826439385 948297535 /nfs/dbraw/zinc/29/75/35/948297535.db2.gz RZPQUIALVNWVCH-UHFFFAOYSA-N -1 3 385.415 3.284 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](Cc2ccncc2)C1 ZINC000826453144 948322181 /nfs/dbraw/zinc/32/21/81/948322181.db2.gz XZKDUHUXWOEIMR-CYBMUJFWSA-N -1 3 383.843 3.012 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](Cc2ccncc2)C1 ZINC000826453144 948322189 /nfs/dbraw/zinc/32/21/89/948322189.db2.gz XZKDUHUXWOEIMR-CYBMUJFWSA-N -1 3 383.843 3.012 20 0 GGADHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454716 948326200 /nfs/dbraw/zinc/32/62/00/948326200.db2.gz IIIOLKCEXYTOLJ-UHFFFAOYSA-N -1 3 383.431 3.357 20 0 GGADHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454716 948326210 /nfs/dbraw/zinc/32/62/10/948326210.db2.gz IIIOLKCEXYTOLJ-UHFFFAOYSA-N -1 3 383.431 3.357 20 0 GGADHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826454773 948327273 /nfs/dbraw/zinc/32/72/73/948327273.db2.gz KOAACXAQJGGMIC-UHFFFAOYSA-N -1 3 383.431 3.357 20 0 GGADHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826454773 948327280 /nfs/dbraw/zinc/32/72/80/948327280.db2.gz KOAACXAQJGGMIC-UHFFFAOYSA-N -1 3 383.431 3.357 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@H]1CCCOCC1 ZINC000826455226 948327968 /nfs/dbraw/zinc/32/79/68/948327968.db2.gz FNTLTTCPYOASNG-AWEZNQCLSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@H]1CCCOCC1 ZINC000826455226 948327975 /nfs/dbraw/zinc/32/79/75/948327975.db2.gz FNTLTTCPYOASNG-AWEZNQCLSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826457052 948329728 /nfs/dbraw/zinc/32/97/28/948329728.db2.gz KBLWAJPIEUPIKS-UHFFFAOYSA-N -1 3 385.383 3.338 20 0 GGADHM O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826457052 948329734 /nfs/dbraw/zinc/32/97/34/948329734.db2.gz KBLWAJPIEUPIKS-UHFFFAOYSA-N -1 3 385.383 3.338 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000826457943 948334461 /nfs/dbraw/zinc/33/44/61/948334461.db2.gz WIAAWASRVOUFEY-ATCWAGBWSA-N -1 3 383.843 3.081 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C(F)=C1CCCC1 ZINC000826458568 948341743 /nfs/dbraw/zinc/34/17/43/948341743.db2.gz VRNAFJUYXZQGJG-UHFFFAOYSA-N -1 3 387.806 3.442 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C(F)=C1CCCC1 ZINC000826458568 948341751 /nfs/dbraw/zinc/34/17/51/948341751.db2.gz VRNAFJUYXZQGJG-UHFFFAOYSA-N -1 3 387.806 3.442 20 0 GGADHM O=CN1CCc2cc(C(=O)CSc3cccc(Cl)c3-c3nnn[n-]3)ccc21 ZINC000826483944 948399878 /nfs/dbraw/zinc/39/98/78/948399878.db2.gz GWBYIRLOKYVHJF-UHFFFAOYSA-N -1 3 399.863 3.014 20 0 GGADHM O=CN1CCc2cc(C(=O)CSc3cccc(Cl)c3-c3nn[n-]n3)ccc21 ZINC000826483944 948399888 /nfs/dbraw/zinc/39/98/88/948399888.db2.gz GWBYIRLOKYVHJF-UHFFFAOYSA-N -1 3 399.863 3.014 20 0 GGADHM c1cn(CCCC2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cn1 ZINC000826522630 948454462 /nfs/dbraw/zinc/45/44/62/948454462.db2.gz IHYCGSXLORDRKB-UHFFFAOYSA-N -1 3 388.479 3.308 20 0 GGADHM c1cn(CCCC2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cn1 ZINC000826522630 948454470 /nfs/dbraw/zinc/45/44/70/948454470.db2.gz IHYCGSXLORDRKB-UHFFFAOYSA-N -1 3 388.479 3.308 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1Br ZINC001129610211 948469914 /nfs/dbraw/zinc/46/99/14/948469914.db2.gz HZQLGWXCNZWWMC-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1Br ZINC001129610211 948469917 /nfs/dbraw/zinc/46/99/17/948469917.db2.gz HZQLGWXCNZWWMC-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM Cc1c(F)c(Br)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275482893 948496215 /nfs/dbraw/zinc/49/62/15/948496215.db2.gz DHYIPIYQDHLMDA-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1c(F)c(Br)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275482893 948496218 /nfs/dbraw/zinc/49/62/18/948496218.db2.gz DHYIPIYQDHLMDA-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM CC(C)C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC001290404668 948497734 /nfs/dbraw/zinc/49/77/34/948497734.db2.gz HWVLENVJFRVXBH-HNNXBMFYSA-N -1 3 388.472 3.135 20 0 GGADHM CC(C)C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC001290404668 948497737 /nfs/dbraw/zinc/49/77/37/948497737.db2.gz HWVLENVJFRVXBH-HNNXBMFYSA-N -1 3 388.472 3.135 20 0 GGADHM CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CC=CCC1 ZINC001275484222 948497955 /nfs/dbraw/zinc/49/79/55/948497955.db2.gz YQUMOKORPXYQRX-IBGZPJMESA-N -1 3 387.415 3.013 20 0 GGADHM CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CC=CCC1 ZINC001275484222 948497958 /nfs/dbraw/zinc/49/79/58/948497958.db2.gz YQUMOKORPXYQRX-IBGZPJMESA-N -1 3 387.415 3.013 20 0 GGADHM CC(C)(C)OC(=O)NCc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001440737696 948518421 /nfs/dbraw/zinc/51/84/21/948518421.db2.gz OFUTZVFILHEVQZ-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM CC(C)(C)OC(=O)NCc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001440737696 948518426 /nfs/dbraw/zinc/51/84/26/948518426.db2.gz OFUTZVFILHEVQZ-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001454410610 948524072 /nfs/dbraw/zinc/52/40/72/948524072.db2.gz WRNLYIIVBMXORO-UHFFFAOYSA-N -1 3 383.318 3.107 20 0 GGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001454410610 948524078 /nfs/dbraw/zinc/52/40/78/948524078.db2.gz WRNLYIIVBMXORO-UHFFFAOYSA-N -1 3 383.318 3.107 20 0 GGADHM O=C(NCCc1ccc(C2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001470073357 948532643 /nfs/dbraw/zinc/53/26/43/948532643.db2.gz VUUATIRAGOVGNH-UHFFFAOYSA-N -1 3 376.464 3.282 20 0 GGADHM O=C(NCCc1ccc(C2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001470073357 948532650 /nfs/dbraw/zinc/53/26/50/948532650.db2.gz VUUATIRAGOVGNH-UHFFFAOYSA-N -1 3 376.464 3.282 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(Br)cnc1Cl ZINC001528094047 948542688 /nfs/dbraw/zinc/54/26/88/948542688.db2.gz UCHSAAMICYNKNL-UHFFFAOYSA-N -1 3 397.595 3.069 20 0 GGADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccn1 ZINC001535498618 948548202 /nfs/dbraw/zinc/54/82/02/948548202.db2.gz OJVKKWDTFVBBIA-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccn1 ZINC001535498618 948548207 /nfs/dbraw/zinc/54/82/07/948548207.db2.gz OJVKKWDTFVBBIA-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)co1 ZINC001539569473 948548832 /nfs/dbraw/zinc/54/88/32/948548832.db2.gz KMCXONKWFCLSAA-FPLPWBNLSA-N -1 3 381.392 3.067 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)co1 ZINC001539569473 948548837 /nfs/dbraw/zinc/54/88/37/948548837.db2.gz KMCXONKWFCLSAA-FPLPWBNLSA-N -1 3 381.392 3.067 20 0 GGADHM CO[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC001540586545 948550453 /nfs/dbraw/zinc/55/04/53/948550453.db2.gz BKMVPDWFRWFVSE-AWEZNQCLSA-N -1 3 377.326 3.212 20 0 GGADHM CO[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC001540586545 948550459 /nfs/dbraw/zinc/55/04/59/948550459.db2.gz BKMVPDWFRWFVSE-AWEZNQCLSA-N -1 3 377.326 3.212 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001544666391 948554644 /nfs/dbraw/zinc/55/46/44/948554644.db2.gz WCLHVWXXHOMLAE-LUAWRHEFSA-N -1 3 381.392 3.067 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001544666391 948554650 /nfs/dbraw/zinc/55/46/50/948554650.db2.gz WCLHVWXXHOMLAE-LUAWRHEFSA-N -1 3 381.392 3.067 20 0 GGADHM Cc1c(F)c(Br)ccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001565613741 948560526 /nfs/dbraw/zinc/56/05/26/948560526.db2.gz LJLOCULQGROYTO-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1c(F)c(Br)ccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001565613741 948560529 /nfs/dbraw/zinc/56/05/29/948560529.db2.gz LJLOCULQGROYTO-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@@H](C)C(C)(C)C ZINC001573731724 948595014 /nfs/dbraw/zinc/59/50/14/948595014.db2.gz YBRJZGBHPXKBJE-CHWSQXEVSA-N -1 3 381.484 3.191 20 0 GGADHM C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@@H](C)C(C)(C)C ZINC001573731724 948595018 /nfs/dbraw/zinc/59/50/18/948595018.db2.gz YBRJZGBHPXKBJE-CHWSQXEVSA-N -1 3 381.484 3.191 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1)c1ccccc1F ZINC001574078700 948760186 /nfs/dbraw/zinc/76/01/86/948760186.db2.gz GQNKJLICQRNYQV-GOSISDBHSA-N -1 3 382.443 3.199 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1)c1ccccc1F ZINC001574078700 948760198 /nfs/dbraw/zinc/76/01/98/948760198.db2.gz GQNKJLICQRNYQV-GOSISDBHSA-N -1 3 382.443 3.199 20 0 GGADHM CC(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC001574417464 948768517 /nfs/dbraw/zinc/76/85/17/948768517.db2.gz OKHWUYUWJBDIKO-UHFFFAOYSA-N -1 3 391.884 3.122 20 0 GGADHM CC(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC001574417464 948768532 /nfs/dbraw/zinc/76/85/32/948768532.db2.gz OKHWUYUWJBDIKO-UHFFFAOYSA-N -1 3 391.884 3.122 20 0 GGADHM CC(C)c1ccccc1OCCNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001574421992 948827381 /nfs/dbraw/zinc/82/73/81/948827381.db2.gz UCNYCYSDHCLJBN-UHFFFAOYSA-N -1 3 375.436 3.424 20 0 GGADHM CC(C)c1ccccc1OCCNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001574421992 948827391 /nfs/dbraw/zinc/82/73/91/948827391.db2.gz UCNYCYSDHCLJBN-UHFFFAOYSA-N -1 3 375.436 3.424 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCO1 ZINC001573757171 948829721 /nfs/dbraw/zinc/82/97/21/948829721.db2.gz YBTYFCKQTHIAMD-UGSOOPFHSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCO1 ZINC001573757171 948829733 /nfs/dbraw/zinc/82/97/33/948829733.db2.gz YBTYFCKQTHIAMD-UGSOOPFHSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCO1 ZINC001573757170 948829942 /nfs/dbraw/zinc/82/99/42/948829942.db2.gz YBTYFCKQTHIAMD-SCLBCKFNSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCO1 ZINC001573757170 948829953 /nfs/dbraw/zinc/82/99/53/948829953.db2.gz YBTYFCKQTHIAMD-SCLBCKFNSA-N -1 3 379.420 3.413 20 0 GGADHM CC(C)c1cncc(NC(=O)c2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC001574424316 948849057 /nfs/dbraw/zinc/84/90/57/948849057.db2.gz KAVRWPQCEUPCNO-UHFFFAOYSA-N -1 3 387.241 3.400 20 0 GGADHM CC(C)c1cncc(NC(=O)c2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC001574424316 948849074 /nfs/dbraw/zinc/84/90/74/948849074.db2.gz KAVRWPQCEUPCNO-UHFFFAOYSA-N -1 3 387.241 3.400 20 0 GGADHM CC(C)C1(C(=O)OCc2ccccc2Oc2ccccc2-c2nnn[n-]2)COC1 ZINC001574083861 948896720 /nfs/dbraw/zinc/89/67/20/948896720.db2.gz ZCUDRKUHCOQHHK-UHFFFAOYSA-N -1 3 394.431 3.375 20 0 GGADHM CC(C)C1(C(=O)OCc2ccccc2Oc2ccccc2-c2nn[n-]n2)COC1 ZINC001574083861 948896732 /nfs/dbraw/zinc/89/67/32/948896732.db2.gz ZCUDRKUHCOQHHK-UHFFFAOYSA-N -1 3 394.431 3.375 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001574087830 948897769 /nfs/dbraw/zinc/89/77/69/948897769.db2.gz BELGHKDQHGGXRO-FZKQIMNGSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001574087830 948897782 /nfs/dbraw/zinc/89/77/82/948897782.db2.gz BELGHKDQHGGXRO-FZKQIMNGSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001574087829 948898520 /nfs/dbraw/zinc/89/85/20/948898520.db2.gz BELGHKDQHGGXRO-ACJLOTCBSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001574087829 948898533 /nfs/dbraw/zinc/89/85/33/948898533.db2.gz BELGHKDQHGGXRO-ACJLOTCBSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)C1(Cn2c(-c3ccc(-c4nnn[n-]4)cc3)nnc2N2CC=CCC2)CC1 ZINC001574087933 948904044 /nfs/dbraw/zinc/90/40/44/948904044.db2.gz BPIWKCAENGWHBY-UHFFFAOYSA-N -1 3 390.495 3.328 20 0 GGADHM CC(C)C1(Cn2c(-c3ccc(-c4nn[n-]n4)cc3)nnc2N2CC=CCC2)CC1 ZINC001574087933 948904057 /nfs/dbraw/zinc/90/40/57/948904057.db2.gz BPIWKCAENGWHBY-UHFFFAOYSA-N -1 3 390.495 3.328 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001574088174 948909083 /nfs/dbraw/zinc/90/90/83/948909083.db2.gz DAERQAWGNKFHDL-RFAUZJTJSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001574088174 948909096 /nfs/dbraw/zinc/90/90/96/948909096.db2.gz DAERQAWGNKFHDL-RFAUZJTJSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)c1nccn1CCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001574432225 948930061 /nfs/dbraw/zinc/93/00/61/948930061.db2.gz FUFTYRXHEMNBMK-UHFFFAOYSA-N -1 3 394.252 3.200 20 0 GGADHM CC(C)c1nccn1CCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001574432225 948930070 /nfs/dbraw/zinc/93/00/70/948930070.db2.gz FUFTYRXHEMNBMK-UHFFFAOYSA-N -1 3 394.252 3.200 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001574088878 948937351 /nfs/dbraw/zinc/93/73/51/948937351.db2.gz GSZZRMHCPRLEEL-YLJYHZDGSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001574088878 948937363 /nfs/dbraw/zinc/93/73/63/948937363.db2.gz GSZZRMHCPRLEEL-YLJYHZDGSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001574088854 948938402 /nfs/dbraw/zinc/93/84/02/948938402.db2.gz FKMUFKOBUZDBAG-GUDVDZBRSA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001574088854 948938413 /nfs/dbraw/zinc/93/84/13/948938413.db2.gz FKMUFKOBUZDBAG-GUDVDZBRSA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H]1C[C@H]1C ZINC001574089551 948958560 /nfs/dbraw/zinc/95/85/60/948958560.db2.gz IDKAJTQTVAVMNZ-COXVUDFISA-N -1 3 378.484 3.331 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H]1C[C@H]1C ZINC001574089551 948958572 /nfs/dbraw/zinc/95/85/72/948958572.db2.gz IDKAJTQTVAVMNZ-COXVUDFISA-N -1 3 378.484 3.331 20 0 GGADHM CC(C)c1nn(C)cc1Nc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574433946 948969023 /nfs/dbraw/zinc/96/90/23/948969023.db2.gz XBMZFSANIDGBOV-UHFFFAOYSA-N -1 3 377.412 3.050 20 0 GGADHM CC(C)c1nn(C)cc1Nc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574433946 948969039 /nfs/dbraw/zinc/96/90/39/948969039.db2.gz XBMZFSANIDGBOV-UHFFFAOYSA-N -1 3 377.412 3.050 20 0 GGADHM CC(F)(F)c1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575241822 948979643 /nfs/dbraw/zinc/97/96/43/948979643.db2.gz FODLPDTVAFLWJS-UHFFFAOYSA-N -1 3 376.342 3.439 20 0 GGADHM CC(F)(F)c1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575241822 948979653 /nfs/dbraw/zinc/97/96/53/948979653.db2.gz FODLPDTVAFLWJS-UHFFFAOYSA-N -1 3 376.342 3.439 20 0 GGADHM CC(C)c1nnc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1CC[C@H]1C[C@H](F)C1 ZINC001574434682 948986063 /nfs/dbraw/zinc/98/60/63/948986063.db2.gz MNLMQPFQQXSHSA-JCNLHEQBSA-N -1 3 398.490 3.356 20 0 GGADHM CC(C)c1nnc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1CC[C@H]1C[C@H](F)C1 ZINC001574434682 948986074 /nfs/dbraw/zinc/98/60/74/948986074.db2.gz MNLMQPFQQXSHSA-JCNLHEQBSA-N -1 3 398.490 3.356 20 0 GGADHM CC(C)c1nnc(COC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)s1 ZINC001574435310 948990240 /nfs/dbraw/zinc/99/02/40/948990240.db2.gz SKCXNSFHXMTACB-UHFFFAOYSA-N -1 3 398.492 3.397 20 0 GGADHM CC(C)c1nnc(COC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)s1 ZINC001574435310 948990250 /nfs/dbraw/zinc/99/02/50/948990250.db2.gz SKCXNSFHXMTACB-UHFFFAOYSA-N -1 3 398.492 3.397 20 0 GGADHM CC(C)c1noc(-c2ccc(NC(=O)c3csc(-c4nnn[n-]4)c3)cc2)n1 ZINC001574439220 949003142 /nfs/dbraw/zinc/00/31/42/949003142.db2.gz CXKRLDSDGYQIHM-UHFFFAOYSA-N -1 3 381.421 3.354 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ncc(Br)cn1 ZINC001575501358 949005160 /nfs/dbraw/zinc/00/51/60/949005160.db2.gz HFPCLAJWAYMLNP-ZETCQYMHSA-N -1 3 381.234 3.412 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ncc(Br)cn1 ZINC001575501358 949005266 /nfs/dbraw/zinc/00/52/66/949005266.db2.gz HFPCLAJWAYMLNP-ZETCQYMHSA-N -1 3 381.234 3.412 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCc1cccc2cccnc21 ZINC001575502644 949029572 /nfs/dbraw/zinc/02/95/72/949029572.db2.gz ICGRSYXRQWIRNJ-AWEZNQCLSA-N -1 3 387.447 3.318 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCc1cccc2cccnc21 ZINC001575502644 949029577 /nfs/dbraw/zinc/02/95/77/949029577.db2.gz ICGRSYXRQWIRNJ-AWEZNQCLSA-N -1 3 387.447 3.318 20 0 GGADHM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001574692654 949036653 /nfs/dbraw/zinc/03/66/53/949036653.db2.gz AEEYUSVTJIKNPQ-JTQLQIEISA-N -1 3 375.354 3.491 20 0 GGADHM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001574692654 949036675 /nfs/dbraw/zinc/03/66/75/949036675.db2.gz AEEYUSVTJIKNPQ-JTQLQIEISA-N -1 3 375.354 3.491 20 0 GGADHM C[C@H](CCc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001574692958 949047524 /nfs/dbraw/zinc/04/75/24/949047524.db2.gz DYBCYGJYOQXOJA-CQSZACIVSA-N -1 3 379.439 3.380 20 0 GGADHM C[C@H](CCc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001574692958 949047541 /nfs/dbraw/zinc/04/75/41/949047541.db2.gz DYBCYGJYOQXOJA-CQSZACIVSA-N -1 3 379.439 3.380 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)COc1ccc(Cl)c(F)c1 ZINC001575503825 949054331 /nfs/dbraw/zinc/05/43/31/949054331.db2.gz MHTMFLPBFPGTIA-LLVKDONJSA-N -1 3 389.818 3.258 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)COc1ccc(Cl)c(F)c1 ZINC001575503825 949054349 /nfs/dbraw/zinc/05/43/49/949054349.db2.gz MHTMFLPBFPGTIA-LLVKDONJSA-N -1 3 389.818 3.258 20 0 GGADHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001575504446 949074967 /nfs/dbraw/zinc/07/49/67/949074967.db2.gz UQSYDSKFDWNVHH-LLVKDONJSA-N -1 3 398.467 3.399 20 0 GGADHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001575504446 949074989 /nfs/dbraw/zinc/07/49/89/949074989.db2.gz UQSYDSKFDWNVHH-LLVKDONJSA-N -1 3 398.467 3.399 20 0 GGADHM C[C@H](c1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC001575504516 949080117 /nfs/dbraw/zinc/08/01/17/949080117.db2.gz RETHXNTXWKKMQF-LLVKDONJSA-N -1 3 375.354 3.463 20 0 GGADHM C[C@H](c1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC001575504516 949080140 /nfs/dbraw/zinc/08/01/40/949080140.db2.gz RETHXNTXWKKMQF-LLVKDONJSA-N -1 3 375.354 3.463 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574694573 949081804 /nfs/dbraw/zinc/08/18/04/949081804.db2.gz RUWGMUCSEQQCHI-MRXNPFEDSA-N -1 3 393.491 3.409 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574694573 949081826 /nfs/dbraw/zinc/08/18/26/949081826.db2.gz RUWGMUCSEQQCHI-MRXNPFEDSA-N -1 3 393.491 3.409 20 0 GGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001575504841 949089048 /nfs/dbraw/zinc/08/90/48/949089048.db2.gz VJWQOJAVOJAKMV-MRVPVSSYSA-N -1 3 378.864 3.422 20 0 GGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001575504841 949089068 /nfs/dbraw/zinc/08/90/68/949089068.db2.gz VJWQOJAVOJAKMV-MRVPVSSYSA-N -1 3 378.864 3.422 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001575504974 949097349 /nfs/dbraw/zinc/09/73/49/949097349.db2.gz WKQFYTGODDARQN-VIFPVBQESA-N -1 3 397.370 3.078 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001575504974 949097369 /nfs/dbraw/zinc/09/73/69/949097369.db2.gz WKQFYTGODDARQN-VIFPVBQESA-N -1 3 397.370 3.078 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505013 949102823 /nfs/dbraw/zinc/10/28/23/949102823.db2.gz XISKNHXIFUCWTQ-MZPVMMEZSA-N -1 3 383.402 3.468 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505013 949102836 /nfs/dbraw/zinc/10/28/36/949102836.db2.gz XISKNHXIFUCWTQ-MZPVMMEZSA-N -1 3 383.402 3.468 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505084 949103106 /nfs/dbraw/zinc/10/31/06/949103106.db2.gz ZLOJAQNCZORWDU-SDDDUWNISA-N -1 3 398.417 3.403 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505084 949103112 /nfs/dbraw/zinc/10/31/12/949103112.db2.gz ZLOJAQNCZORWDU-SDDDUWNISA-N -1 3 398.417 3.403 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ncc2cc(Cl)ccn21 ZINC001575509660 949114895 /nfs/dbraw/zinc/11/48/95/949114895.db2.gz DWKXMJUMLZMRDA-LLVKDONJSA-N -1 3 381.827 3.001 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ncc2cc(Cl)ccn21 ZINC001575509660 949114911 /nfs/dbraw/zinc/11/49/11/949114911.db2.gz DWKXMJUMLZMRDA-LLVKDONJSA-N -1 3 381.827 3.001 20 0 GGADHM CC(C)[C@@H]1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CC2)C1 ZINC001574098563 949161593 /nfs/dbraw/zinc/16/15/93/949161593.db2.gz DBRZMXOLYRDSPU-QGZVFWFLSA-N -1 3 378.484 3.018 20 0 GGADHM CC(C)[C@@H]1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CC2)C1 ZINC001574098563 949161611 /nfs/dbraw/zinc/16/16/11/949161611.db2.gz DBRZMXOLYRDSPU-QGZVFWFLSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccn(-c2cccc(F)c2)n1 ZINC001575514697 949172351 /nfs/dbraw/zinc/17/23/51/949172351.db2.gz XRCVRCPVZLGGBB-AWEZNQCLSA-N -1 3 377.427 3.385 20 0 GGADHM CC(C)[C@H]1CCc2nc(NC(=O)COc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC001574099482 949173225 /nfs/dbraw/zinc/17/32/25/949173225.db2.gz LBWGBHRBFNOPLL-LBPRGKRZSA-N -1 3 398.492 3.102 20 0 GGADHM CC(C)[C@H]1CCc2nc(NC(=O)COc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC001574099482 949173230 /nfs/dbraw/zinc/17/32/30/949173230.db2.gz LBWGBHRBFNOPLL-LBPRGKRZSA-N -1 3 398.492 3.102 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c2ccccc21 ZINC001574099214 949173354 /nfs/dbraw/zinc/17/33/54/949173354.db2.gz KDBXQEUGLHKHRZ-HKUYNNGSSA-N -1 3 388.475 3.303 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c2ccccc21 ZINC001574099214 949173362 /nfs/dbraw/zinc/17/33/62/949173362.db2.gz KDBXQEUGLHKHRZ-HKUYNNGSSA-N -1 3 388.475 3.303 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N(C)CCCC(=O)[O-] ZINC001602795980 971558310 /nfs/dbraw/zinc/55/83/10/971558310.db2.gz QKKZXBRREMOUMW-CQSZACIVSA-N -1 3 376.453 3.242 20 0 GGADHM CC(C)[C@H]1CN(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c2ccccc21 ZINC001574099217 949175177 /nfs/dbraw/zinc/17/51/77/949175177.db2.gz KDBXQEUGLHKHRZ-PKOBYXMFSA-N -1 3 388.475 3.303 20 0 GGADHM CC(C)[C@H]1CN(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c2ccccc21 ZINC001574099217 949175191 /nfs/dbraw/zinc/17/51/91/949175191.db2.gz KDBXQEUGLHKHRZ-PKOBYXMFSA-N -1 3 388.475 3.303 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001575514881 949176836 /nfs/dbraw/zinc/17/68/36/949176836.db2.gz ZEYNWPPNVROUFR-NSHDSACASA-N -1 3 395.854 3.362 20 0 GGADHM CC(C)(C(=O)Oc1cccc(OC2CC2)c1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573787748 949186077 /nfs/dbraw/zinc/18/60/77/949186077.db2.gz ACKQZUHMOMLQIK-UHFFFAOYSA-N -1 3 382.395 3.430 20 0 GGADHM CC(C)(C(=O)Oc1cccc(OC2CC2)c1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573787748 949186089 /nfs/dbraw/zinc/18/60/89/949186089.db2.gz ACKQZUHMOMLQIK-UHFFFAOYSA-N -1 3 382.395 3.430 20 0 GGADHM C[C@@H](c1cccnc1)N(C)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001575515637 949188445 /nfs/dbraw/zinc/18/84/45/949188445.db2.gz JKKSQXWJXMQLTK-VIFPVBQESA-N -1 3 377.221 3.361 20 0 GGADHM C[C@@H](c1cccnc1)N(C)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001575515637 949188453 /nfs/dbraw/zinc/18/84/53/949188453.db2.gz JKKSQXWJXMQLTK-VIFPVBQESA-N -1 3 377.221 3.361 20 0 GGADHM C[C@@H](NC(=O)C1=C(c2ccccc2)SCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575254069 949194176 /nfs/dbraw/zinc/19/41/76/949194176.db2.gz LKZXCWWLFOWSGC-CYBMUJFWSA-N -1 3 393.472 3.176 20 0 GGADHM C[C@@H](NC(=O)C1=C(c2ccccc2)SCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575254069 949194185 /nfs/dbraw/zinc/19/41/85/949194185.db2.gz LKZXCWWLFOWSGC-CYBMUJFWSA-N -1 3 393.472 3.176 20 0 GGADHM CC(C)(C(=O)Nc1cncc(C(F)(F)F)c1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788214 949197385 /nfs/dbraw/zinc/19/73/85/949197385.db2.gz IJDOSSJQXLBYPQ-UHFFFAOYSA-N -1 3 394.332 3.336 20 0 GGADHM CC(C)(C(=O)Nc1cncc(C(F)(F)F)c1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788214 949197394 /nfs/dbraw/zinc/19/73/94/949197394.db2.gz IJDOSSJQXLBYPQ-UHFFFAOYSA-N -1 3 394.332 3.336 20 0 GGADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001575516189 949204601 /nfs/dbraw/zinc/20/46/01/949204601.db2.gz NLQGXDAWDUXYEH-HNAYVOBHSA-N -1 3 377.448 3.040 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788752 949209604 /nfs/dbraw/zinc/20/96/04/949209604.db2.gz WATXSSMUVJBUDC-UHFFFAOYSA-N -1 3 391.410 3.108 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788752 949209626 /nfs/dbraw/zinc/20/96/26/949209626.db2.gz WATXSSMUVJBUDC-UHFFFAOYSA-N -1 3 391.410 3.108 20 0 GGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)n1 ZINC001575516950 949217910 /nfs/dbraw/zinc/21/79/10/949217910.db2.gz RZPIZEFZTPJUOA-ZDUSSCGKSA-N -1 3 398.430 3.406 20 0 GGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)n1 ZINC001575516950 949217929 /nfs/dbraw/zinc/21/79/29/949217929.db2.gz RZPIZEFZTPJUOA-ZDUSSCGKSA-N -1 3 398.430 3.406 20 0 GGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001576151280 949218397 /nfs/dbraw/zinc/21/83/97/949218397.db2.gz FUSHUIMIBSNREU-MSRIBSCDSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001576151280 949218420 /nfs/dbraw/zinc/21/84/20/949218420.db2.gz FUSHUIMIBSNREU-MSRIBSCDSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@]1(c2cccc(F)c2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001575857190 949265823 /nfs/dbraw/zinc/26/58/23/949265823.db2.gz PGOSRHDHMVLOKL-JQVVWYNYSA-N -1 3 391.450 3.300 20 0 GGADHM C[C@]1(c2cccc(F)c2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001575857190 949265843 /nfs/dbraw/zinc/26/58/43/949265843.db2.gz PGOSRHDHMVLOKL-JQVVWYNYSA-N -1 3 391.450 3.300 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)[C@H]1C ZINC001576153104 949277247 /nfs/dbraw/zinc/27/72/47/949277247.db2.gz LVPNATOWZRFZIE-WWGRRREGSA-N -1 3 380.452 3.324 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)[C@H]1C ZINC001576153104 949277265 /nfs/dbraw/zinc/27/72/65/949277265.db2.gz LVPNATOWZRFZIE-WWGRRREGSA-N -1 3 380.452 3.324 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C(=O)OC)c(Br)c2)C1 ZINC001589606408 949287550 /nfs/dbraw/zinc/28/75/50/949287550.db2.gz OEJALHJGGYFHFH-KRWDZBQOSA-N -1 3 384.270 3.313 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2C[C@H]2C[C@H]2C)CC1 ZINC001575861506 949323813 /nfs/dbraw/zinc/32/38/13/949323813.db2.gz SPULJAVOJBNHRN-RDTXWAMCSA-N -1 3 390.495 3.328 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2C[C@H]2C[C@H]2C)CC1 ZINC001575861506 949323826 /nfs/dbraw/zinc/32/38/26/949323826.db2.gz SPULJAVOJBNHRN-RDTXWAMCSA-N -1 3 390.495 3.328 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001595227663 949325769 /nfs/dbraw/zinc/32/57/69/949325769.db2.gz NAJXCKUIVOWCBK-GOSISDBHSA-N -1 3 388.414 3.158 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001575861503 949327656 /nfs/dbraw/zinc/32/76/56/949327656.db2.gz SPULJAVOJBNHRN-KBXCAEBGSA-N -1 3 390.495 3.328 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001575861503 949327680 /nfs/dbraw/zinc/32/76/80/949327680.db2.gz SPULJAVOJBNHRN-KBXCAEBGSA-N -1 3 390.495 3.328 20 0 GGADHM CC1=C(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)SCCO1 ZINC001575861917 949337105 /nfs/dbraw/zinc/33/71/05/949337105.db2.gz XBLWTDPWPWCKOT-UHFFFAOYSA-N -1 3 380.429 3.434 20 0 GGADHM CC1=C(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)SCCO1 ZINC001575861917 949337135 /nfs/dbraw/zinc/33/71/35/949337135.db2.gz XBLWTDPWPWCKOT-UHFFFAOYSA-N -1 3 380.429 3.434 20 0 GGADHM C[C@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1)[C@@H]1CCC[C@@H](C)C1 ZINC001576155188 949386627 /nfs/dbraw/zinc/38/66/27/949386627.db2.gz SYLBADOQTRDWCT-OUAUKWLOSA-N -1 3 382.390 3.225 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCCO2 ZINC001575263155 949386735 /nfs/dbraw/zinc/38/67/35/949386735.db2.gz FENFSMMTJKHUPI-FPAJZGIOSA-N -1 3 375.432 3.082 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)CCCO2 ZINC001575263155 949386754 /nfs/dbraw/zinc/38/67/54/949386754.db2.gz FENFSMMTJKHUPI-FPAJZGIOSA-N -1 3 375.432 3.082 20 0 GGADHM CC1=NO[C@@](C)(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC001575866571 949415112 /nfs/dbraw/zinc/41/51/12/949415112.db2.gz VJBFOIZSCHRVQO-LHSJRXKWSA-N -1 3 390.447 3.266 20 0 GGADHM CC1=NO[C@@](C)(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC001575866571 949415127 /nfs/dbraw/zinc/41/51/27/949415127.db2.gz VJBFOIZSCHRVQO-LHSJRXKWSA-N -1 3 390.447 3.266 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001576155769 949419088 /nfs/dbraw/zinc/41/90/88/949419088.db2.gz VBDJVRNBJXUPOE-MNOVXSKESA-N -1 3 378.274 3.185 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001576155769 949419104 /nfs/dbraw/zinc/41/91/04/949419104.db2.gz VBDJVRNBJXUPOE-MNOVXSKESA-N -1 3 378.274 3.185 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001576155767 949419837 /nfs/dbraw/zinc/41/98/37/949419837.db2.gz VBDJVRNBJXUPOE-GHMZBOCLSA-N -1 3 378.274 3.185 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001576155767 949419857 /nfs/dbraw/zinc/41/98/57/949419857.db2.gz VBDJVRNBJXUPOE-GHMZBOCLSA-N -1 3 378.274 3.185 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)O1 ZINC001576155852 949421271 /nfs/dbraw/zinc/42/12/71/949421271.db2.gz VMNVGVPLGFEPIA-TZMCWYRMSA-N -1 3 388.472 3.123 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)O1 ZINC001576155852 949421282 /nfs/dbraw/zinc/42/12/82/949421282.db2.gz VMNVGVPLGFEPIA-TZMCWYRMSA-N -1 3 388.472 3.123 20 0 GGADHM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)O1 ZINC001576155850 949421879 /nfs/dbraw/zinc/42/18/79/949421879.db2.gz VMNVGVPLGFEPIA-JSGCOSHPSA-N -1 3 388.472 3.123 20 0 GGADHM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)O1 ZINC001576155850 949421894 /nfs/dbraw/zinc/42/18/94/949421894.db2.gz VMNVGVPLGFEPIA-JSGCOSHPSA-N -1 3 388.472 3.123 20 0 GGADHM C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575869390 949472231 /nfs/dbraw/zinc/47/22/31/949472231.db2.gz QKOAYSGUOUNEKV-YNEHKIRRSA-N -1 3 392.529 3.146 20 0 GGADHM C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575869390 949472243 /nfs/dbraw/zinc/47/22/43/949472243.db2.gz QKOAYSGUOUNEKV-YNEHKIRRSA-N -1 3 392.529 3.146 20 0 GGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576157738 949492852 /nfs/dbraw/zinc/49/28/52/949492852.db2.gz RUGBZQXNRUJPCT-NWDGAFQWSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576157738 949492870 /nfs/dbraw/zinc/49/28/70/949492870.db2.gz RUGBZQXNRUJPCT-NWDGAFQWSA-N -1 3 385.859 3.471 20 0 GGADHM CC(C)C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)n1ccnc1 ZINC001574125905 949595852 /nfs/dbraw/zinc/59/58/52/949595852.db2.gz VZKOFHOTKNPKGT-IBGZPJMESA-N -1 3 395.511 3.335 20 0 GGADHM C[C@@H](CC(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1)CC(C)(C)C ZINC001574483726 949836185 /nfs/dbraw/zinc/83/61/85/949836185.db2.gz JYNGHHPEKWAFTJ-ZDUSSCGKSA-N -1 3 376.530 3.039 20 0 GGADHM CC(C)(C)C1CC(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC001573825521 949885295 /nfs/dbraw/zinc/88/52/95/949885295.db2.gz YROFKDZRIZDPBC-UHFFFAOYSA-N -1 3 379.468 3.122 20 0 GGADHM CC(C)(C)C1CC(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001573825521 949885305 /nfs/dbraw/zinc/88/53/05/949885305.db2.gz YROFKDZRIZDPBC-UHFFFAOYSA-N -1 3 379.468 3.122 20 0 GGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Br ZINC001573825975 949893060 /nfs/dbraw/zinc/89/30/60/949893060.db2.gz CWZDCLBGWXBEIH-ZWNOBZJWSA-N -1 3 395.305 3.277 20 0 GGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Br ZINC001573825975 949893078 /nfs/dbraw/zinc/89/30/78/949893078.db2.gz CWZDCLBGWXBEIH-ZWNOBZJWSA-N -1 3 395.305 3.277 20 0 GGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Br ZINC001573825973 949896963 /nfs/dbraw/zinc/89/69/63/949896963.db2.gz CWZDCLBGWXBEIH-GXFFZTMASA-N -1 3 395.305 3.277 20 0 GGADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Br ZINC001573825973 949896986 /nfs/dbraw/zinc/89/69/86/949896986.db2.gz CWZDCLBGWXBEIH-GXFFZTMASA-N -1 3 395.305 3.277 20 0 GGADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574484928 949907977 /nfs/dbraw/zinc/90/79/77/949907977.db2.gz RYMYWPWVTDNLND-MAUKXSAKSA-N -1 3 397.527 3.271 20 0 GGADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574484928 949907997 /nfs/dbraw/zinc/90/79/97/949907997.db2.gz RYMYWPWVTDNLND-MAUKXSAKSA-N -1 3 397.527 3.271 20 0 GGADHM CC(C)C[C@@H](C)n1nccc1NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001574144577 949913375 /nfs/dbraw/zinc/91/33/75/949913375.db2.gz PNPKITPBOXUSOZ-GFCCVEGCSA-N -1 3 389.410 3.401 20 0 GGADHM CC(C)C[C@@H](C)n1nccc1NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001574144577 949913395 /nfs/dbraw/zinc/91/33/95/949913395.db2.gz PNPKITPBOXUSOZ-GFCCVEGCSA-N -1 3 389.410 3.401 20 0 GGADHM CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CC1 ZINC001573827604 949927236 /nfs/dbraw/zinc/92/72/36/949927236.db2.gz MZCYMVJDEKPQKT-GFCCVEGCSA-N -1 3 397.932 3.357 20 0 GGADHM CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CC1 ZINC001573827604 949927252 /nfs/dbraw/zinc/92/72/52/949927252.db2.gz MZCYMVJDEKPQKT-GFCCVEGCSA-N -1 3 397.932 3.357 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(C(=O)OCc2ccccc2)[nH]1)c1ccc(F)cc1 ZINC001595277376 949936121 /nfs/dbraw/zinc/93/61/21/949936121.db2.gz DMRDXMHOLDXCBL-IBGZPJMESA-N -1 3 382.391 3.426 20 0 GGADHM CC(C)c1ccc(-c2nc(C(=O)N(CCN(C)C)CC(=O)[O-])cs2)cc1 ZINC000236785890 949936438 /nfs/dbraw/zinc/93/64/38/949936438.db2.gz VNVWZXWDMCIKDU-UHFFFAOYSA-N -1 3 375.494 3.022 20 0 GGADHM CC(C)(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573828308 949937897 /nfs/dbraw/zinc/93/78/97/949937897.db2.gz QJRZWPSGRWIJGM-OCCSQVGLSA-N -1 3 383.905 3.013 20 0 GGADHM CC(C)(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573828308 949937915 /nfs/dbraw/zinc/93/79/15/949937915.db2.gz QJRZWPSGRWIJGM-OCCSQVGLSA-N -1 3 383.905 3.013 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237134108 949950464 /nfs/dbraw/zinc/95/04/64/949950464.db2.gz XMEWMXLSLCKVAK-CSKARUKUSA-N -1 3 376.453 3.042 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573829525 949954435 /nfs/dbraw/zinc/95/44/35/949954435.db2.gz ZYAIBLYHKINFJW-DLBZAZTESA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573829525 949954454 /nfs/dbraw/zinc/95/44/54/949954454.db2.gz ZYAIBLYHKINFJW-DLBZAZTESA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573829528 949960077 /nfs/dbraw/zinc/96/00/77/949960077.db2.gz ZYAIBLYHKINFJW-IAGOWNOFSA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573829528 949960098 /nfs/dbraw/zinc/96/00/98/949960098.db2.gz ZYAIBLYHKINFJW-IAGOWNOFSA-N -1 3 393.495 3.387 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCC(C)(F)F ZINC001576182225 950042949 /nfs/dbraw/zinc/04/29/49/950042949.db2.gz YNHDPAFKNABJSL-GFCCVEGCSA-N -1 3 388.426 3.159 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCC(C)(F)F ZINC001576182225 950042976 /nfs/dbraw/zinc/04/29/76/950042976.db2.gz YNHDPAFKNABJSL-GFCCVEGCSA-N -1 3 388.426 3.159 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576190333 950158683 /nfs/dbraw/zinc/15/86/83/950158683.db2.gz AFZCQASCFBQJOO-ZDUSSCGKSA-N -1 3 394.483 3.224 20 0 GGADHM C[C@H](CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1nc2ccccc2o1 ZINC001574983010 950197440 /nfs/dbraw/zinc/19/74/40/950197440.db2.gz JNBYMLUOKFXVGY-LLVKDONJSA-N -1 3 387.403 3.023 20 0 GGADHM C[C@H](CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1nc2ccccc2o1 ZINC001574983010 950197453 /nfs/dbraw/zinc/19/74/53/950197453.db2.gz JNBYMLUOKFXVGY-LLVKDONJSA-N -1 3 387.403 3.023 20 0 GGADHM CC(C)(C)CS(=O)(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573844569 950197685 /nfs/dbraw/zinc/19/76/85/950197685.db2.gz BOKKQRKPHCQHNU-UHFFFAOYSA-N -1 3 388.449 3.414 20 0 GGADHM CC(C)(C)CS(=O)(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573844569 950197709 /nfs/dbraw/zinc/19/77/09/950197709.db2.gz BOKKQRKPHCQHNU-UHFFFAOYSA-N -1 3 388.449 3.414 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000263093543 950260567 /nfs/dbraw/zinc/26/05/67/950260567.db2.gz ALESXWZJLVFJBL-IXDOHACOSA-N -1 3 393.553 3.273 20 0 GGADHM CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001573849784 950264861 /nfs/dbraw/zinc/26/48/61/950264861.db2.gz BWFCUBKYCBUPME-UHFFFAOYSA-N -1 3 389.431 3.237 20 0 GGADHM CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001573849784 950264881 /nfs/dbraw/zinc/26/48/81/950264881.db2.gz BWFCUBKYCBUPME-UHFFFAOYSA-N -1 3 389.431 3.237 20 0 GGADHM CC(C)(C)OC(=O)[C@@](C)(NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573850266 950268667 /nfs/dbraw/zinc/26/86/67/950268667.db2.gz IDIDYOUPRWHKPA-QFIPXVFZSA-N -1 3 393.491 3.256 20 0 GGADHM CC(C)(C)OC(=O)[C@@](C)(NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573850266 950268689 /nfs/dbraw/zinc/26/86/89/950268689.db2.gz IDIDYOUPRWHKPA-QFIPXVFZSA-N -1 3 393.491 3.256 20 0 GGADHM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001573851163 950287138 /nfs/dbraw/zinc/28/71/38/950287138.db2.gz SXFKZNOSDRGZKF-UHFFFAOYSA-N -1 3 389.431 3.237 20 0 GGADHM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001573851163 950287155 /nfs/dbraw/zinc/28/71/55/950287155.db2.gz SXFKZNOSDRGZKF-UHFFFAOYSA-N -1 3 389.431 3.237 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC001573851420 950292608 /nfs/dbraw/zinc/29/26/08/950292608.db2.gz XTRNRKCYOJWLBB-SFHVURJKSA-N -1 3 397.454 3.221 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001573851420 950292635 /nfs/dbraw/zinc/29/26/35/950292635.db2.gz XTRNRKCYOJWLBB-SFHVURJKSA-N -1 3 397.454 3.221 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCCc3c(-c4nnn[n-]4)cccc32)C1 ZINC001573852108 950300426 /nfs/dbraw/zinc/30/04/26/950300426.db2.gz DEDZCNGZYYWXLJ-OAHLLOKOSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCCc3c(-c4nn[n-]n4)cccc32)C1 ZINC001573852108 950300446 /nfs/dbraw/zinc/30/04/46/950300446.db2.gz DEDZCNGZYYWXLJ-OAHLLOKOSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001573852912 950313362 /nfs/dbraw/zinc/31/33/62/950313362.db2.gz KZUGVYJQXIKAQO-CQSZACIVSA-N -1 3 384.484 3.019 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001573852912 950313381 /nfs/dbraw/zinc/31/33/81/950313381.db2.gz KZUGVYJQXIKAQO-CQSZACIVSA-N -1 3 384.484 3.019 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2)CC1 ZINC000263222410 950334354 /nfs/dbraw/zinc/33/43/54/950334354.db2.gz ZEFBRRLOIYNNAV-FQEVSTJZSA-N -1 3 387.524 3.077 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2)CC1 ZINC000263222411 950334556 /nfs/dbraw/zinc/33/45/56/950334556.db2.gz ZEFBRRLOIYNNAV-HXUWFJFHSA-N -1 3 387.524 3.077 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263310637 950362381 /nfs/dbraw/zinc/36/23/81/950362381.db2.gz HXMMKDPPMDMRMD-WIBUTAKZSA-N -1 3 376.472 3.216 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CN3C[C@H](C)C[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000263365087 950405998 /nfs/dbraw/zinc/40/59/98/950405998.db2.gz SWNHFJCGLJNCQP-NQIIRXRSSA-N -1 3 386.536 3.209 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)cc1 ZINC000263403906 950442280 /nfs/dbraw/zinc/44/22/80/950442280.db2.gz SOVVLOILWGSIMQ-SOAGJPPSSA-N -1 3 389.540 3.430 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573862133 950457313 /nfs/dbraw/zinc/45/73/13/950457313.db2.gz NKPRFMICMSIORE-SFHVURJKSA-N -1 3 379.464 3.082 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573862133 950457325 /nfs/dbraw/zinc/45/73/25/950457325.db2.gz NKPRFMICMSIORE-SFHVURJKSA-N -1 3 379.464 3.082 20 0 GGADHM O=C([O-])c1cccc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000263441697 950465965 /nfs/dbraw/zinc/46/59/65/950465965.db2.gz WQZDYXROUIAUKQ-HNNXBMFYSA-N -1 3 378.350 3.299 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001573863360 950477471 /nfs/dbraw/zinc/47/74/71/950477471.db2.gz FCWVNAWLMNKGOS-UHFFFAOYSA-N -1 3 384.367 3.180 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001573863360 950477487 /nfs/dbraw/zinc/47/74/87/950477487.db2.gz FCWVNAWLMNKGOS-UHFFFAOYSA-N -1 3 384.367 3.180 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573863786 950489002 /nfs/dbraw/zinc/48/90/02/950489002.db2.gz QMDAGIBNAWEARV-XWTMOSNGSA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573863786 950489010 /nfs/dbraw/zinc/48/90/10/950489010.db2.gz QMDAGIBNAWEARV-XWTMOSNGSA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573863783 950489265 /nfs/dbraw/zinc/48/92/65/950489265.db2.gz QMDAGIBNAWEARV-BSDSXHPESA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573863783 950489272 /nfs/dbraw/zinc/48/92/72/950489272.db2.gz QMDAGIBNAWEARV-BSDSXHPESA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573863892 950489371 /nfs/dbraw/zinc/48/93/71/950489371.db2.gz RGOYSEHJYRLHPO-MRXNPFEDSA-N -1 3 398.467 3.082 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573863892 950489377 /nfs/dbraw/zinc/48/93/77/950489377.db2.gz RGOYSEHJYRLHPO-MRXNPFEDSA-N -1 3 398.467 3.082 20 0 GGADHM CC(C)C[C@@H]1CCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001574168129 950504060 /nfs/dbraw/zinc/50/40/60/950504060.db2.gz PMZGPMSPRZUNPF-HNNXBMFYSA-N -1 3 384.484 3.013 20 0 GGADHM CC(C)C[C@@H]1CCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001574168129 950504080 /nfs/dbraw/zinc/50/40/80/950504080.db2.gz PMZGPMSPRZUNPF-HNNXBMFYSA-N -1 3 384.484 3.013 20 0 GGADHM CC(C)C[C@@]1(CO)CCCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001574168360 950511857 /nfs/dbraw/zinc/51/18/57/950511857.db2.gz VLDVBEWVZXVHLC-OAQYLSRUSA-N -1 3 397.523 3.078 20 0 GGADHM CC(C)C[C@@]1(CO)CCCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001574168360 950511876 /nfs/dbraw/zinc/51/18/76/950511876.db2.gz VLDVBEWVZXVHLC-OAQYLSRUSA-N -1 3 397.523 3.078 20 0 GGADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC001574995674 950515135 /nfs/dbraw/zinc/51/51/35/950515135.db2.gz GLCWIJNQCGCDQG-VIFPVBQESA-N -1 3 392.282 3.224 20 0 GGADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC001574995674 950515151 /nfs/dbraw/zinc/51/51/51/950515151.db2.gz GLCWIJNQCGCDQG-VIFPVBQESA-N -1 3 392.282 3.224 20 0 GGADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCCCO1 ZINC001575614420 950530718 /nfs/dbraw/zinc/53/07/18/950530718.db2.gz BQHUZERJFLRKIG-SFHVURJKSA-N -1 3 375.498 3.485 20 0 GGADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCCCO1 ZINC001575614420 950530738 /nfs/dbraw/zinc/53/07/38/950530738.db2.gz BQHUZERJFLRKIG-SFHVURJKSA-N -1 3 375.498 3.485 20 0 GGADHM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575623889 950656847 /nfs/dbraw/zinc/65/68/47/950656847.db2.gz LNFKXAGWVUDKQU-KRWDZBQOSA-N -1 3 379.439 3.343 20 0 GGADHM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575623889 950656861 /nfs/dbraw/zinc/65/68/61/950656861.db2.gz LNFKXAGWVUDKQU-KRWDZBQOSA-N -1 3 379.439 3.343 20 0 GGADHM CC1(C)[C@@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C[C@@H]1OCc1ccccc1 ZINC001575623853 950658175 /nfs/dbraw/zinc/65/81/75/950658175.db2.gz KYMDNESNCNENGO-ROUUACIJSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1OCc1ccccc1 ZINC001575623853 950658189 /nfs/dbraw/zinc/65/81/89/950658189.db2.gz KYMDNESNCNENGO-ROUUACIJSA-N -1 3 395.438 3.120 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@]23CCO[C@H]2CCCC3)cc1-c1nnn[n-]1 ZINC001573876297 950665512 /nfs/dbraw/zinc/66/55/12/950665512.db2.gz KAVWQCPMKIOQEE-OXJNMPFZSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@]23CCO[C@H]2CCCC3)cc1-c1nn[n-]n1 ZINC001573876297 950665527 /nfs/dbraw/zinc/66/55/27/950665527.db2.gz KAVWQCPMKIOQEE-OXJNMPFZSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccncc1NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001573876300 950666559 /nfs/dbraw/zinc/66/65/59/950666559.db2.gz KBKFETQRWGWZES-UHFFFAOYSA-N -1 3 388.378 3.170 20 0 GGADHM CC(C)(C)Oc1ccncc1NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001573876300 950666578 /nfs/dbraw/zinc/66/65/78/950666578.db2.gz KBKFETQRWGWZES-UHFFFAOYSA-N -1 3 388.378 3.170 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC001576214524 950674190 /nfs/dbraw/zinc/67/41/90/950674190.db2.gz BKTWKDGZNWQYQC-VXGBXAGGSA-N -1 3 382.493 3.265 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC001576214524 950674200 /nfs/dbraw/zinc/67/42/00/950674200.db2.gz BKTWKDGZNWQYQC-VXGBXAGGSA-N -1 3 382.493 3.265 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC001576214523 950676267 /nfs/dbraw/zinc/67/62/67/950676267.db2.gz BKTWKDGZNWQYQC-RYUDHWBXSA-N -1 3 382.493 3.265 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC001576214523 950676281 /nfs/dbraw/zinc/67/62/81/950676281.db2.gz BKTWKDGZNWQYQC-RYUDHWBXSA-N -1 3 382.493 3.265 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccc3[nH]cnc3c2F)cc1-c1nnn[n-]1 ZINC001573876784 950682549 /nfs/dbraw/zinc/68/25/49/950682549.db2.gz WDDLQIYUPAAIAS-UHFFFAOYSA-N -1 3 395.398 3.312 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccc3[nH]cnc3c2F)cc1-c1nn[n-]n1 ZINC001573876784 950682562 /nfs/dbraw/zinc/68/25/62/950682562.db2.gz WDDLQIYUPAAIAS-UHFFFAOYSA-N -1 3 395.398 3.312 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1-c1nnn[n-]1 ZINC001573876935 950682746 /nfs/dbraw/zinc/68/27/46/950682746.db2.gz WXKRORIDXNUKFU-UHFFFAOYSA-N -1 3 377.408 3.173 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1-c1nn[n-]n1 ZINC001573876935 950682754 /nfs/dbraw/zinc/68/27/54/950682754.db2.gz WXKRORIDXNUKFU-UHFFFAOYSA-N -1 3 377.408 3.173 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NCCCc2ccco2)cc1-c1nnn[n-]1 ZINC001573876945 950683934 /nfs/dbraw/zinc/68/39/34/950683934.db2.gz XNQDREFUEIVGPE-UHFFFAOYSA-N -1 3 384.440 3.391 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NCCCc2ccco2)cc1-c1nn[n-]n1 ZINC001573876945 950683945 /nfs/dbraw/zinc/68/39/45/950683945.db2.gz XNQDREFUEIVGPE-UHFFFAOYSA-N -1 3 384.440 3.391 20 0 GGADHM C[C@H]1CCc2sc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2C1 ZINC001576214789 950684449 /nfs/dbraw/zinc/68/44/49/950684449.db2.gz CDRBSAGRNBCDCM-LBPRGKRZSA-N -1 3 379.489 3.472 20 0 GGADHM C[C@H]1CCc2sc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2C1 ZINC001576214789 950684464 /nfs/dbraw/zinc/68/44/64/950684464.db2.gz CDRBSAGRNBCDCM-LBPRGKRZSA-N -1 3 379.489 3.472 20 0 GGADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575625665 950690083 /nfs/dbraw/zinc/69/00/83/950690083.db2.gz UKBKYRYFGNVWKJ-ZWKOTPCHSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575625665 950690099 /nfs/dbraw/zinc/69/00/99/950690099.db2.gz UKBKYRYFGNVWKJ-ZWKOTPCHSA-N -1 3 395.438 3.120 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)C[C@H]3CC(C)(C)CO3)c2-c2nnn[n-]2)C1 ZINC001576215195 950690988 /nfs/dbraw/zinc/69/09/88/950690988.db2.gz DQVAFMFFAWLZNK-MNOVXSKESA-N -1 3 375.498 3.197 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)C[C@H]3CC(C)(C)CO3)c2-c2nn[n-]n2)C1 ZINC001576215195 950690999 /nfs/dbraw/zinc/69/09/99/950690999.db2.gz DQVAFMFFAWLZNK-MNOVXSKESA-N -1 3 375.498 3.197 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)[C@H]1CCCO1 ZINC001574519755 950694649 /nfs/dbraw/zinc/69/46/49/950694649.db2.gz HXZMTGKPBKGRNP-CXAGYDPISA-N -1 3 394.435 3.198 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)[C@H]1CCCO1 ZINC001574519755 950694661 /nfs/dbraw/zinc/69/46/61/950694661.db2.gz HXZMTGKPBKGRNP-CXAGYDPISA-N -1 3 394.435 3.198 20 0 GGADHM CC1(C)CC(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC001575625878 950699024 /nfs/dbraw/zinc/69/90/24/950699024.db2.gz ZKPFGLDWQDISKL-UHFFFAOYSA-N -1 3 396.539 3.368 20 0 GGADHM CC1(C)C(NC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1(C)C ZINC001575626039 950705603 /nfs/dbraw/zinc/70/56/03/950705603.db2.gz WIBOQJSEUKEUNU-UHFFFAOYSA-N -1 3 397.508 3.470 20 0 GGADHM CC1(C)C(NC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1(C)C ZINC001575626039 950705626 /nfs/dbraw/zinc/70/56/26/950705626.db2.gz WIBOQJSEUKEUNU-UHFFFAOYSA-N -1 3 397.508 3.470 20 0 GGADHM C[C@H](CC(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CCCCC1 ZINC001574520065 950714165 /nfs/dbraw/zinc/71/41/65/950714165.db2.gz KYLYYKBJVFCDDC-CQSZACIVSA-N -1 3 394.483 3.052 20 0 GGADHM C[C@H](CC(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CCCCC1 ZINC001574520065 950714188 /nfs/dbraw/zinc/71/41/88/950714188.db2.gz KYLYYKBJVFCDDC-CQSZACIVSA-N -1 3 394.483 3.052 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1c(F)cccc1F ZINC001576215840 950715242 /nfs/dbraw/zinc/71/52/42/950715242.db2.gz GPKXUMBAMJVSAQ-QWRGUYRKSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1c(F)cccc1F ZINC001576215840 950715264 /nfs/dbraw/zinc/71/52/64/950715264.db2.gz GPKXUMBAMJVSAQ-QWRGUYRKSA-N -1 3 398.417 3.407 20 0 GGADHM CC(C)(C)c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc(Cl)n1 ZINC001573879949 950736875 /nfs/dbraw/zinc/73/68/75/950736875.db2.gz PRMVZLXWKFQCAZ-UHFFFAOYSA-N -1 3 388.834 3.282 20 0 GGADHM CC(C)(C)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc(Cl)n1 ZINC001573879949 950736896 /nfs/dbraw/zinc/73/68/96/950736896.db2.gz PRMVZLXWKFQCAZ-UHFFFAOYSA-N -1 3 388.834 3.282 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)COC(F)(F)F)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576217290 950754290 /nfs/dbraw/zinc/75/42/90/950754290.db2.gz LUHKADIEIZJPGM-RNFRBKRXSA-N -1 3 375.376 3.089 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)COC(F)(F)F)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576217290 950754303 /nfs/dbraw/zinc/75/43/03/950754303.db2.gz LUHKADIEIZJPGM-RNFRBKRXSA-N -1 3 375.376 3.089 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)C[C@@]3(C)CC3(Cl)Cl)c(-c3nnn[n-]3)cc2C1 ZINC001576217344 950760791 /nfs/dbraw/zinc/76/07/91/950760791.db2.gz NCSJMADAWNHDTG-ABKXIKBNSA-N -1 3 395.294 3.299 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)C[C@@]3(C)CC3(Cl)Cl)c(-c3nn[n-]n3)cc2C1 ZINC001576217344 950760801 /nfs/dbraw/zinc/76/08/01/950760801.db2.gz NCSJMADAWNHDTG-ABKXIKBNSA-N -1 3 395.294 3.299 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2cnn(-c3ccccc3)c2)n1 ZINC001573882021 950762146 /nfs/dbraw/zinc/76/21/46/950762146.db2.gz OGSGUQWBMITCSW-UHFFFAOYSA-N -1 3 375.436 3.324 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2cnn(-c3ccccc3)c2)n1 ZINC001573882021 950762158 /nfs/dbraw/zinc/76/21/58/950762158.db2.gz OGSGUQWBMITCSW-UHFFFAOYSA-N -1 3 375.436 3.324 20 0 GGADHM CC(C)(C)c1cc(NC(=O)c2nccs2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573881979 950763516 /nfs/dbraw/zinc/76/35/16/950763516.db2.gz MHAYSHJWWOKKAP-UHFFFAOYSA-N -1 3 394.464 3.059 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3cc4c(o3)CCCC4)c(-c3nnn[n-]3)cc2C1 ZINC001576217776 950767883 /nfs/dbraw/zinc/76/78/83/950767883.db2.gz OONPLRGZMYAMEU-NSHDSACASA-N -1 3 378.436 3.111 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3cc4c(o3)CCCC4)c(-c3nn[n-]n3)cc2C1 ZINC001576217776 950767904 /nfs/dbraw/zinc/76/79/04/950767904.db2.gz OONPLRGZMYAMEU-NSHDSACASA-N -1 3 378.436 3.111 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)[C@H](CO)C2)n1 ZINC001573882185 950773298 /nfs/dbraw/zinc/77/32/98/950773298.db2.gz WUECFXMNHZULQV-DLBZAZTESA-N -1 3 392.507 3.162 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)[C@H](CO)C2)n1 ZINC001573882185 950773308 /nfs/dbraw/zinc/77/33/08/950773308.db2.gz WUECFXMNHZULQV-DLBZAZTESA-N -1 3 392.507 3.162 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N2CCOCC3(CCC3)C2)c1-c1nnn[n-]1 ZINC001573884780 950804433 /nfs/dbraw/zinc/80/44/33/950804433.db2.gz QDHLXMYLPSLCCN-UHFFFAOYSA-N -1 3 390.513 3.260 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N2CCOCC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001573884780 950804449 /nfs/dbraw/zinc/80/44/49/950804449.db2.gz QDHLXMYLPSLCCN-UHFFFAOYSA-N -1 3 390.513 3.260 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4O3)c2-c2nnn[n-]2)C1 ZINC001576219845 950813507 /nfs/dbraw/zinc/81/35/07/950813507.db2.gz VOGVQPVNFFVFHA-ABAIWWIYSA-N -1 3 395.488 3.385 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4O3)c2-c2nn[n-]n2)C1 ZINC001576219845 950813524 /nfs/dbraw/zinc/81/35/24/950813524.db2.gz VOGVQPVNFFVFHA-ABAIWWIYSA-N -1 3 395.488 3.385 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4O3)c2-c2nnn[n-]2)C1 ZINC001576219846 950814520 /nfs/dbraw/zinc/81/45/20/950814520.db2.gz VOGVQPVNFFVFHA-IAQYHMDHSA-N -1 3 395.488 3.385 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4O3)c2-c2nn[n-]n2)C1 ZINC001576219846 950814530 /nfs/dbraw/zinc/81/45/30/950814530.db2.gz VOGVQPVNFFVFHA-IAQYHMDHSA-N -1 3 395.488 3.385 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3[nH]c4ccccc4c3-c3nnn[n-]3)sc2C1 ZINC001576219791 950815545 /nfs/dbraw/zinc/81/55/45/950815545.db2.gz URBKMNVRXKSYHT-SECBINFHSA-N -1 3 379.449 3.182 20 0 GGADHM C[C@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)C[C@H](C)CC3)[C@@H]1c1ccccc1 ZINC001576220348 950831733 /nfs/dbraw/zinc/83/17/33/950831733.db2.gz XFPBGNZANBQXHV-UDORUHSDSA-N -1 3 388.475 3.375 20 0 GGADHM C[C@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)C[C@H](C)CC3)[C@@H]1c1ccccc1 ZINC001576220348 950831754 /nfs/dbraw/zinc/83/17/54/950831754.db2.gz XFPBGNZANBQXHV-UDORUHSDSA-N -1 3 388.475 3.375 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)Cc3cccc(Cl)c3)c(-c3nnn[n-]3)cc2C1 ZINC001576220993 950844244 /nfs/dbraw/zinc/84/42/44/950844244.db2.gz YOUQAAJAKMVNLN-NSHDSACASA-N -1 3 382.855 3.221 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)Cc3cccc(Cl)c3)c(-c3nn[n-]n3)cc2C1 ZINC001576220993 950844272 /nfs/dbraw/zinc/84/42/72/950844272.db2.gz YOUQAAJAKMVNLN-NSHDSACASA-N -1 3 382.855 3.221 20 0 GGADHM CC1(C)CC(COc2ccc(-c3nnn[n-]3)cc2I)C1 ZINC001575639031 950850629 /nfs/dbraw/zinc/85/06/29/950850629.db2.gz NDOJVTORHKGERB-UHFFFAOYSA-N -1 3 384.221 3.286 20 0 GGADHM CC1(C)CC(COc2ccc(-c3nn[n-]n3)cc2I)C1 ZINC001575639031 950850652 /nfs/dbraw/zinc/85/06/52/950850652.db2.gz NDOJVTORHKGERB-UHFFFAOYSA-N -1 3 384.221 3.286 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c2ccncc12 ZINC001573888615 950869380 /nfs/dbraw/zinc/86/93/80/950869380.db2.gz XKAWSZSJHJTIJQ-UHFFFAOYSA-N -1 3 379.399 3.363 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c2ccncc12 ZINC001573888615 950869399 /nfs/dbraw/zinc/86/93/99/950869399.db2.gz XKAWSZSJHJTIJQ-UHFFFAOYSA-N -1 3 379.399 3.363 20 0 GGADHM CC1(C)C[C@]1(NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC001575641783 950929715 /nfs/dbraw/zinc/92/97/15/950929715.db2.gz QYOZBOOAQQORIB-QFIPXVFZSA-N -1 3 399.458 3.108 20 0 GGADHM CC1(C)C[C@]1(NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC001575641783 950929733 /nfs/dbraw/zinc/92/97/33/950929733.db2.gz QYOZBOOAQQORIB-QFIPXVFZSA-N -1 3 399.458 3.108 20 0 GGADHM CC1(C)C[C@@]1(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001575643001 950957179 /nfs/dbraw/zinc/95/71/79/950957179.db2.gz WZOJEGAPUMMUHL-HXUWFJFHSA-N -1 3 379.489 3.400 20 0 GGADHM CC1(C)C[C@@]1(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001575643001 950957194 /nfs/dbraw/zinc/95/71/94/950957194.db2.gz WZOJEGAPUMMUHL-HXUWFJFHSA-N -1 3 379.489 3.400 20 0 GGADHM CC1(C)C[C@]1(NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001575643168 950960462 /nfs/dbraw/zinc/96/04/62/950960462.db2.gz YVTMEBDFPVQBCM-FQEVSTJZSA-N -1 3 380.427 3.130 20 0 GGADHM CC1(C)C[C@]1(NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001575643168 950960473 /nfs/dbraw/zinc/96/04/73/950960473.db2.gz YVTMEBDFPVQBCM-FQEVSTJZSA-N -1 3 380.427 3.130 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000320701297 950996926 /nfs/dbraw/zinc/99/69/26/950996926.db2.gz IMMAAQXMTWMEQT-KRWDZBQOSA-N -1 3 383.286 3.273 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001594990789 951044158 /nfs/dbraw/zinc/04/41/58/951044158.db2.gz KDZWTMCFTXFYEW-SFHVURJKSA-N -1 3 395.503 3.262 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000372209737 951146914 /nfs/dbraw/zinc/14/69/14/951146914.db2.gz IAVKYZVUJHUBCV-HXUWFJFHSA-N -1 3 380.444 3.212 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000372209735 951148377 /nfs/dbraw/zinc/14/83/77/951148377.db2.gz IAVKYZVUJHUBCV-FQEVSTJZSA-N -1 3 380.444 3.212 20 0 GGADHM CCC(CC)(CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000379610092 951171075 /nfs/dbraw/zinc/17/10/75/951171075.db2.gz HYWPRRYZOVECKD-GOSISDBHSA-N -1 3 375.513 3.231 20 0 GGADHM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001595008975 951239236 /nfs/dbraw/zinc/23/92/36/951239236.db2.gz ZFZZXVDLEDMBRC-ROUUACIJSA-N -1 3 394.462 3.390 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001595013152 951276167 /nfs/dbraw/zinc/27/61/67/951276167.db2.gz YXELXZXJNBACQK-ZWKOTPCHSA-N -1 3 394.462 3.247 20 0 GGADHM CCOc1ccc(Cl)cc1CN1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001592663464 951348142 /nfs/dbraw/zinc/34/81/42/951348142.db2.gz XVBWTVJKBAAWOY-DZGCQCFKSA-N -1 3 377.872 3.163 20 0 GGADHM CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001602874101 971744404 /nfs/dbraw/zinc/74/44/04/971744404.db2.gz AITCLZXPVISABK-OAHLLOKOSA-N -1 3 394.512 3.428 20 0 GGADHM O=C([O-])C1CCC(NCc2c(Br)cncc2Br)CC1 ZINC000394103690 951446679 /nfs/dbraw/zinc/44/66/79/951446679.db2.gz FQRQGTHUWZLDOH-UHFFFAOYSA-N -1 3 392.091 3.340 20 0 GGADHM CC(C)(C)OC(=O)C1CCN(c2ccc(CN3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001602874342 971747140 /nfs/dbraw/zinc/74/71/40/971747140.db2.gz JWGZVJYVQNPTKR-INIZCTEOSA-N -1 3 392.496 3.134 20 0 GGADHM O=C([O-])CN1CC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCCCC2)C1=O ZINC001595079785 951669492 /nfs/dbraw/zinc/66/94/92/951669492.db2.gz SETVAMONANXWDS-OAHLLOKOSA-N -1 3 384.398 3.140 20 0 GGADHM C[C@@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC001575118864 951985080 /nfs/dbraw/zinc/98/50/80/951985080.db2.gz UOWHPOTXIXKPQJ-SECBINFHSA-N -1 3 389.353 3.226 20 0 GGADHM C[C@@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC001575118864 951985084 /nfs/dbraw/zinc/98/50/84/951985084.db2.gz UOWHPOTXIXKPQJ-SECBINFHSA-N -1 3 389.353 3.226 20 0 GGADHM C[C@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC001575118865 951985822 /nfs/dbraw/zinc/98/58/22/951985822.db2.gz UOWHPOTXIXKPQJ-VIFPVBQESA-N -1 3 389.353 3.226 20 0 GGADHM C[C@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC001575118865 951985829 /nfs/dbraw/zinc/98/58/29/951985829.db2.gz UOWHPOTXIXKPQJ-VIFPVBQESA-N -1 3 389.353 3.226 20 0 GGADHM C[C@@H](CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575137366 952137685 /nfs/dbraw/zinc/13/76/85/952137685.db2.gz XFXLUBJDLXMYPK-ZDUSSCGKSA-N -1 3 397.504 3.363 20 0 GGADHM C[C@@H](CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575137366 952137690 /nfs/dbraw/zinc/13/76/90/952137690.db2.gz XFXLUBJDLXMYPK-ZDUSSCGKSA-N -1 3 397.504 3.363 20 0 GGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Br)Oc1ccccc1F ZINC001575165569 952310707 /nfs/dbraw/zinc/31/07/07/952310707.db2.gz PHHMGVLGEWKQMC-VIFPVBQESA-N -1 3 393.220 3.043 20 0 GGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Br)Oc1ccccc1F ZINC001575165569 952310711 /nfs/dbraw/zinc/31/07/11/952310711.db2.gz PHHMGVLGEWKQMC-VIFPVBQESA-N -1 3 393.220 3.043 20 0 GGADHM C[C@H](COCC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC001575177293 952401020 /nfs/dbraw/zinc/40/10/20/952401020.db2.gz LBJKQAXYAKTQDA-CQSZACIVSA-N -1 3 388.431 3.174 20 0 GGADHM C[C@H](COCC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC001575177293 952401024 /nfs/dbraw/zinc/40/10/24/952401024.db2.gz LBJKQAXYAKTQDA-CQSZACIVSA-N -1 3 388.431 3.174 20 0 GGADHM C[C@@H](CNc1nnccc1-c1nnn[n-]1)Sc1ccc(Br)cc1 ZINC001575181186 952421033 /nfs/dbraw/zinc/42/10/33/952421033.db2.gz ZXOKAYGJTIKXLC-VIFPVBQESA-N -1 3 392.286 3.012 20 0 GGADHM C[C@@H](CNc1nnccc1-c1nn[n-]n1)Sc1ccc(Br)cc1 ZINC001575181186 952421038 /nfs/dbraw/zinc/42/10/38/952421038.db2.gz ZXOKAYGJTIKXLC-VIFPVBQESA-N -1 3 392.286 3.012 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC001575187305 952440157 /nfs/dbraw/zinc/44/01/57/952440157.db2.gz ANQUQLHPIJQWBK-LBPRGKRZSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC001575187305 952440160 /nfs/dbraw/zinc/44/01/60/952440160.db2.gz ANQUQLHPIJQWBK-LBPRGKRZSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001575188139 952446062 /nfs/dbraw/zinc/44/60/62/952446062.db2.gz HIXSCRNCKLQCGX-JTQLQIEISA-N -1 3 391.262 3.410 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001575188139 952446066 /nfs/dbraw/zinc/44/60/66/952446066.db2.gz HIXSCRNCKLQCGX-JTQLQIEISA-N -1 3 391.262 3.410 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(OCC2CC2)cc1 ZINC001575188069 952446747 /nfs/dbraw/zinc/44/67/47/952446747.db2.gz GWQSRIYNZNYVJD-CQSZACIVSA-N -1 3 378.432 3.440 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(OCC2CC2)cc1 ZINC001575188069 952446751 /nfs/dbraw/zinc/44/67/51/952446751.db2.gz GWQSRIYNZNYVJD-CQSZACIVSA-N -1 3 378.432 3.440 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC001575188219 952448065 /nfs/dbraw/zinc/44/80/65/952448065.db2.gz HWPJGPGHVHAMHG-SNVBAGLBSA-N -1 3 381.827 3.214 20 0 GGADHM C[C@@H](Cc1ccco1)C(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001575188947 952451408 /nfs/dbraw/zinc/45/14/08/952451408.db2.gz LLMRMIYNNUIWGX-HNNXBMFYSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@@H](Cc1ccco1)C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001575188947 952451411 /nfs/dbraw/zinc/45/14/11/952451411.db2.gz LLMRMIYNNUIWGX-HNNXBMFYSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575189318 952454642 /nfs/dbraw/zinc/45/46/42/952454642.db2.gz OGKRUMDRWQELCW-SNVBAGLBSA-N -1 3 393.344 3.386 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575189318 952454647 /nfs/dbraw/zinc/45/46/47/952454647.db2.gz OGKRUMDRWQELCW-SNVBAGLBSA-N -1 3 393.344 3.386 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2c(s1)CCC2(C)C ZINC001575189361 952455330 /nfs/dbraw/zinc/45/53/30/952455330.db2.gz OVYINZAUWIVWNJ-NSHDSACASA-N -1 3 382.493 3.364 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(s1)CCC2(C)C ZINC001575189361 952455336 /nfs/dbraw/zinc/45/53/36/952455336.db2.gz OVYINZAUWIVWNJ-NSHDSACASA-N -1 3 382.493 3.364 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC001575190479 952462593 /nfs/dbraw/zinc/46/25/93/952462593.db2.gz SORKIEDCDVEREK-SNVBAGLBSA-N -1 3 385.811 3.066 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC001575190479 952462598 /nfs/dbraw/zinc/46/25/98/952462598.db2.gz SORKIEDCDVEREK-SNVBAGLBSA-N -1 3 385.811 3.066 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001575190901 952463390 /nfs/dbraw/zinc/46/33/90/952463390.db2.gz UREFZSDNDJQERN-ZNOIYHFQSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001575190901 952463394 /nfs/dbraw/zinc/46/33/94/952463394.db2.gz UREFZSDNDJQERN-ZNOIYHFQSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@@H](Cc1cccs1)NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575201618 952505193 /nfs/dbraw/zinc/50/51/93/952505193.db2.gz JBKBFGAJTNPFLV-ZDUSSCGKSA-N -1 3 384.509 3.180 20 0 GGADHM C[C@@H](Cc1cccs1)NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575201618 952505200 /nfs/dbraw/zinc/50/52/00/952505200.db2.gz JBKBFGAJTNPFLV-ZDUSSCGKSA-N -1 3 384.509 3.180 20 0 GGADHM CCSc1ccc(CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(Br)c1 ZINC001593597095 953378482 /nfs/dbraw/zinc/37/84/82/953378482.db2.gz CTBHRVYTUDYHTL-LRDDRELGSA-N -1 3 386.311 3.094 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424262068 953441440 /nfs/dbraw/zinc/44/14/40/953441440.db2.gz PYQNPIZXWBOYFK-SJLPKXTDSA-N -1 3 376.497 3.372 20 0 GGADHM CCC(CC)(CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)C(=O)[O-] ZINC000424383987 953453078 /nfs/dbraw/zinc/45/30/78/953453078.db2.gz DHVGUZWARAMCOV-SFHVURJKSA-N -1 3 391.512 3.022 20 0 GGADHM CSc1ccc([C@H](CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])N(C)C)cc1 ZINC000424398296 953463635 /nfs/dbraw/zinc/46/36/35/953463635.db2.gz NMDVYYUEEHOXMV-RDJZCZTQSA-N -1 3 381.542 3.057 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)C(=O)[O-] ZINC000424429241 953484819 /nfs/dbraw/zinc/48/48/19/953484819.db2.gz ZHZJMCUSSRJEDV-XBMUEBEBSA-N -1 3 381.561 3.275 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@@H](CC(=O)[O-])C3)CC2)cc1 ZINC000532881313 953567947 /nfs/dbraw/zinc/56/79/47/953567947.db2.gz NIKLMBXSXAFGPQ-NRFANRHFSA-N -1 3 386.536 3.353 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000533189492 953568148 /nfs/dbraw/zinc/56/81/48/953568148.db2.gz ADUGYNQHZYXYCQ-LPHOPBHVSA-N -1 3 398.425 3.154 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000533203287 953570249 /nfs/dbraw/zinc/57/02/49/953570249.db2.gz VNQCNUZKZREKEO-HNNXBMFYSA-N -1 3 398.425 3.383 20 0 GGADHM Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000563810093 953602210 /nfs/dbraw/zinc/60/22/10/953602210.db2.gz HSNAIZKKCWESIS-UHFFFAOYSA-N -1 3 395.503 3.025 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000567858215 953637318 /nfs/dbraw/zinc/63/73/18/953637318.db2.gz XPHRIQJWYGOZDE-QRFRQXIXSA-N -1 3 388.508 3.324 20 0 GGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000569971030 953651795 /nfs/dbraw/zinc/65/17/95/953651795.db2.gz BSSXARQKIZDEOQ-ZFWWWQNUSA-N -1 3 398.425 3.382 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000575311668 953684040 /nfs/dbraw/zinc/68/40/40/953684040.db2.gz SDOUAJYSWNTGMD-ZTQAJYAQSA-N -1 3 376.472 3.358 20 0 GGADHM O=C([O-])[C@@H]1CN([C@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1c1ccccc1 ZINC000579836158 953711219 /nfs/dbraw/zinc/71/12/19/953711219.db2.gz BSESHYHMOMASHT-QKLQHJQFSA-N -1 3 382.435 3.121 20 0 GGADHM O=C([O-])[C@@H]1CN([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1c1ccccc1 ZINC000579836161 953711356 /nfs/dbraw/zinc/71/13/56/953711356.db2.gz BSESHYHMOMASHT-SQGPQFPESA-N -1 3 382.435 3.121 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000582306349 953722938 /nfs/dbraw/zinc/72/29/38/953722938.db2.gz MLBSXFSQDCKDNC-GCJKJVERSA-N -1 3 393.443 3.249 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000582306351 953723555 /nfs/dbraw/zinc/72/35/55/953723555.db2.gz MLBSXFSQDCKDNC-XMSQKQJNSA-N -1 3 393.443 3.249 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000629496477 953825047 /nfs/dbraw/zinc/82/50/47/953825047.db2.gz UMHODSWQFUGHTJ-VDGAXYAQSA-N -1 3 388.508 3.182 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000629494985 953825614 /nfs/dbraw/zinc/82/56/14/953825614.db2.gz GFXUGNYRCUKMCL-JLSDUUJJSA-N -1 3 378.488 3.462 20 0 GGADHM C[C@H]1CN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1C(=O)[O-] ZINC000629770857 953832174 /nfs/dbraw/zinc/83/21/74/953832174.db2.gz CRJFGSONFZCRGO-SUMWQHHRSA-N -1 3 381.398 3.493 20 0 GGADHM C[C@H]1CN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1C(=O)[O-] ZINC000629770855 953832710 /nfs/dbraw/zinc/83/27/10/953832710.db2.gz CRJFGSONFZCRGO-GUYCJALGSA-N -1 3 381.398 3.493 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000634691142 953868981 /nfs/dbraw/zinc/86/89/81/953868981.db2.gz AYUGOVJFRVBRQQ-QGZVFWFLSA-N -1 3 384.354 3.284 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(=O)[O-] ZINC000644176402 953914409 /nfs/dbraw/zinc/91/44/09/953914409.db2.gz MSOXGEUFLYWKID-OALUTQOASA-N -1 3 375.513 3.260 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCC(C)(C(=O)[O-])CC3)ccc2c1 ZINC000647373645 953957493 /nfs/dbraw/zinc/95/74/93/953957493.db2.gz LTRFUNXVDJDSGP-MRXNPFEDSA-N -1 3 398.503 3.382 20 0 GGADHM CC1CCN([C@@H](CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2cccs2)CC1 ZINC000650290254 954010382 /nfs/dbraw/zinc/01/03/82/954010382.db2.gz JTODEVIULJSBAF-OXJNMPFZSA-N -1 3 376.522 3.448 20 0 GGADHM CCc1ccc([C@H](CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000652083945 954038695 /nfs/dbraw/zinc/03/86/95/954038695.db2.gz SFNSWOXNFXMWQS-NZQKXSOJSA-N -1 3 397.519 3.193 20 0 GGADHM CN(C)[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc(F)c1 ZINC001593694045 954057966 /nfs/dbraw/zinc/05/79/66/954057966.db2.gz WAEPYWFGSLFZLX-APWZRJJASA-N -1 3 389.471 3.112 20 0 GGADHM CN(C)[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccc(F)c1 ZINC001593694046 954058529 /nfs/dbraw/zinc/05/85/29/954058529.db2.gz WAEPYWFGSLFZLX-LPHOPBHVSA-N -1 3 389.471 3.112 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593695197 954066506 /nfs/dbraw/zinc/06/65/06/954066506.db2.gz HJHOFWRZQJPQCL-KRWDZBQOSA-N -1 3 375.856 3.392 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001593699942 954104306 /nfs/dbraw/zinc/10/43/06/954104306.db2.gz WTTMBQGDHJALBV-UHFFFAOYSA-N -1 3 378.513 3.076 20 0 GGADHM CN(C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001593700283 954104929 /nfs/dbraw/zinc/10/49/29/954104929.db2.gz CYEZTRGJUYSLTR-UHFFFAOYSA-N -1 3 383.492 3.342 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593700467 954108861 /nfs/dbraw/zinc/10/88/61/954108861.db2.gz WBHQVLQAHVRGJD-LSDHHAIUSA-N -1 3 386.414 3.097 20 0 GGADHM CC(C)[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000655859459 954242530 /nfs/dbraw/zinc/24/25/30/954242530.db2.gz LBMRWXUQVUQCSG-HZPDHXFCSA-N -1 3 381.542 3.177 20 0 GGADHM CCCN(C)[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000655877172 954263353 /nfs/dbraw/zinc/26/33/53/954263353.db2.gz XRPAOFRRFXYWCS-IAGOWNOFSA-N -1 3 383.920 3.379 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879346 954264097 /nfs/dbraw/zinc/26/40/97/954264097.db2.gz PRGVFOIFQFIXRL-BVRUVYRISA-N -1 3 387.524 3.084 20 0 GGADHM C[C@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656098724 954295816 /nfs/dbraw/zinc/29/58/16/954295816.db2.gz OIWRTHKQOXPIOJ-LEWSCRJBSA-N -1 3 380.851 3.285 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)NCC2(C(=O)[O-])CCC2)N(C)C)cc1 ZINC000659402255 954327089 /nfs/dbraw/zinc/32/70/89/954327089.db2.gz CCBKZVGGGDOGEE-GOSISDBHSA-N -1 3 375.513 3.042 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)c1ccsc1 ZINC000659753427 954354074 /nfs/dbraw/zinc/35/40/74/954354074.db2.gz KBCFWEABVXEYEM-QGZVFWFLSA-N -1 3 376.478 3.024 20 0 GGADHM O=C([O-])[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)Cc2ccccc21 ZINC000662221236 954389242 /nfs/dbraw/zinc/38/92/42/954389242.db2.gz CWHDCZROVJOETO-OAHLLOKOSA-N -1 3 376.815 3.492 20 0 GGADHM CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-])Cc1ccccc1 ZINC001593751817 954423840 /nfs/dbraw/zinc/42/38/40/954423840.db2.gz MXAYHGVQNHSLSO-LEWJYISDSA-N -1 3 380.488 3.258 20 0 GGADHM O=C([O-])C1(NCc2cc(Cl)ccc2I)CCCC1 ZINC001594881937 954431346 /nfs/dbraw/zinc/43/13/46/954431346.db2.gz GFECQTFXSTXSJU-UHFFFAOYSA-N -1 3 379.625 3.432 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402083 954439072 /nfs/dbraw/zinc/43/90/72/954439072.db2.gz WYKJTEHIMJLHRQ-HRAATJIYSA-N -1 3 386.517 3.312 20 0 GGADHM CCCN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000666558733 954558898 /nfs/dbraw/zinc/55/88/98/954558898.db2.gz VRDLRBWZDOOHKX-IBGZPJMESA-N -1 3 375.513 3.328 20 0 GGADHM CN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000666567307 954563346 /nfs/dbraw/zinc/56/33/46/954563346.db2.gz MVMQXKHPSRZGQC-FQEVSTJZSA-N -1 3 381.476 3.191 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H](NCc2cnc3ccc(Br)cn23)c2ccccc21 ZINC001594899286 954606217 /nfs/dbraw/zinc/60/62/17/954606217.db2.gz CSSYCZOZRDDQRC-HZPDHXFCSA-N -1 3 386.249 3.500 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@H](CO)c3ccc(Cl)cc3)o2)C1 ZINC001594913574 954719608 /nfs/dbraw/zinc/71/96/08/954719608.db2.gz ARLYZXSJOUQHNS-JKSUJKDBSA-N -1 3 392.883 3.100 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCCOc3ccccc3F)o2)C1 ZINC001594915241 954740310 /nfs/dbraw/zinc/74/03/10/954740310.db2.gz JHHTWCPQXZNZDQ-HNNXBMFYSA-N -1 3 376.428 3.278 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594915684 954747587 /nfs/dbraw/zinc/74/75/87/954747587.db2.gz KIUXUMOMLGOSCM-JKSUJKDBSA-N -1 3 389.521 3.492 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCc3ccc(F)c(F)c3F)o2)C1 ZINC001594915889 954751756 /nfs/dbraw/zinc/75/17/56/954751756.db2.gz HJRDOXLFOIFHEZ-CYBMUJFWSA-N -1 3 382.382 3.330 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC([C@@H]4CCCCO4)CC3)o2)C1 ZINC001594917304 954769266 /nfs/dbraw/zinc/76/92/66/954769266.db2.gz OEUDNHRDMYLCFW-HKUYNNGSSA-N -1 3 376.497 3.362 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCOc3ccc(F)c(F)c3)o2)C1 ZINC001594918035 954778573 /nfs/dbraw/zinc/77/85/73/954778573.db2.gz YAZOACHIVQPDBN-ZDUSSCGKSA-N -1 3 380.391 3.027 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589462502 954864052 /nfs/dbraw/zinc/86/40/52/954864052.db2.gz GNMPYLPTASEOIW-VIBAHUMZSA-N -1 3 385.464 3.321 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CC[C@H](c4ccccc4)[C@H](CO)C3)o2)CC1 ZINC001594939798 954873433 /nfs/dbraw/zinc/87/34/33/954873433.db2.gz MEUIDULYZAONJP-PZJWPPBQSA-N -1 3 398.503 3.179 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589013499 955404444 /nfs/dbraw/zinc/40/44/44/955404444.db2.gz XQCKTNFHCJNJOE-ALKREAHSSA-N -1 3 390.455 3.322 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000836692328 955557691 /nfs/dbraw/zinc/55/76/91/955557691.db2.gz GCVJFLQIIMLGAM-CYBMUJFWSA-N -1 3 383.370 3.316 20 0 GGADHM COC(=O)c1c(CN2CCC[C@@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866583 955582436 /nfs/dbraw/zinc/58/24/36/955582436.db2.gz KMNCYVLVNQQCRA-ZDUSSCGKSA-N -1 3 376.428 3.181 20 0 GGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000844838305 955679352 /nfs/dbraw/zinc/67/93/52/955679352.db2.gz KSMGZYRDOFGGGM-TZMCWYRMSA-N -1 3 384.398 3.164 20 0 GGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000844838302 955680745 /nfs/dbraw/zinc/68/07/45/955680745.db2.gz KSMGZYRDOFGGGM-GXTWGEPZSA-N -1 3 384.398 3.164 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589066288 955748330 /nfs/dbraw/zinc/74/83/30/955748330.db2.gz BYPHKOKTLMSSKG-LSDHHAIUSA-N -1 3 376.428 3.277 20 0 GGADHM CC(C)N(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001603056707 972125238 /nfs/dbraw/zinc/12/52/38/972125238.db2.gz RTJYQIMLAIJAGD-HXUWFJFHSA-N -1 3 380.488 3.439 20 0 GGADHM Cn1nc(-c2ccccc2)c(CNC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1Cl ZINC001594560322 955800185 /nfs/dbraw/zinc/80/01/85/955800185.db2.gz DSXNTBQCSVAQPP-RDYUPDBUSA-N -1 3 389.883 3.243 20 0 GGADHM Cn1cc(CNCc2ccccc2C(=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000874043904 956103710 /nfs/dbraw/zinc/10/37/10/956103710.db2.gz XMMWEBRNDFQHHA-UHFFFAOYSA-N -1 3 393.443 3.236 20 0 GGADHM C[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001589122742 956139361 /nfs/dbraw/zinc/13/93/61/956139361.db2.gz GYINJDRCKINANA-SMDDNHRTSA-N -1 3 378.881 3.405 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC000874397888 956153035 /nfs/dbraw/zinc/15/30/35/956153035.db2.gz LOWLHDQZFLRHHP-HXUWFJFHSA-N -1 3 383.492 3.341 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)NCc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000874402450 956163377 /nfs/dbraw/zinc/16/33/77/956163377.db2.gz PLDBCJCPGQFEEJ-GOSISDBHSA-N -1 3 387.505 3.209 20 0 GGADHM CCN(C(=O)NCc1ccccc1C(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000874411092 956186706 /nfs/dbraw/zinc/18/67/06/956186706.db2.gz BGZDHVUJGISOGS-IBGZPJMESA-N -1 3 381.476 3.191 20 0 GGADHM CO[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccc(F)cc1 ZINC001593940969 956272195 /nfs/dbraw/zinc/27/21/95/956272195.db2.gz WJEGCNCVSWTYOX-CRAIPNDOSA-N -1 3 376.428 3.197 20 0 GGADHM C[C@@](O)(CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccc(Cl)c1 ZINC001589147159 956303282 /nfs/dbraw/zinc/30/32/82/956303282.db2.gz PFUYCBSEQVVDCT-VBKZILBWSA-N -1 3 392.883 3.231 20 0 GGADHM COc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)cc(OC)c1OCC(F)F ZINC000901551993 956338692 /nfs/dbraw/zinc/33/86/92/956338692.db2.gz MLYGTIMGTPQUFE-CYBMUJFWSA-N -1 3 387.423 3.425 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001603114626 972190250 /nfs/dbraw/zinc/19/02/50/972190250.db2.gz KMGXZQFASGWUMB-HNNXBMFYSA-N -1 3 381.480 3.429 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000901949299 956561981 /nfs/dbraw/zinc/56/19/81/956561981.db2.gz FGWHPFLCSNTESF-DWQUBVKVSA-N -1 3 386.414 3.315 20 0 GGADHM COc1ccc([C@@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)N2CCCCC2)cc1 ZINC000901955851 956565901 /nfs/dbraw/zinc/56/59/01/956565901.db2.gz MUQFIMUEAQBYAV-LEVJEWGPSA-N -1 3 398.459 3.343 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)Cc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC000901969423 956574705 /nfs/dbraw/zinc/57/47/05/956574705.db2.gz JYCSPLJTQZPFJM-FQEVSTJZSA-N -1 3 384.476 3.135 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1cccc(OC)c1 ZINC000901969755 956574827 /nfs/dbraw/zinc/57/48/27/956574827.db2.gz NSIAYGNPURZOOG-KRWDZBQOSA-N -1 3 390.524 3.331 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(OC)c1 ZINC000901968196 956575377 /nfs/dbraw/zinc/57/53/77/956575377.db2.gz AWVFPHWWWBYUAB-YXBWYFRISA-N -1 3 386.448 3.199 20 0 GGADHM CCN(CC)[C@H](CNC(=O)Cc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC000901969424 956575448 /nfs/dbraw/zinc/57/54/48/956575448.db2.gz JYCSPLJTQZPFJM-HXUWFJFHSA-N -1 3 384.476 3.135 20 0 GGADHM CC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21)N(CC)CC ZINC000902325076 956704710 /nfs/dbraw/zinc/70/47/10/956704710.db2.gz JRCDEZRSLSFEQN-HIFRSBDPSA-N -1 3 397.313 3.474 20 0 GGADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000902694905 956771590 /nfs/dbraw/zinc/77/15/90/956771590.db2.gz RUEHRBAYOKFKTF-FQEVSTJZSA-N -1 3 396.487 3.277 20 0 GGADHM C[C@H]1CN(CCC2(C(=O)[O-])CCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000903696254 956883416 /nfs/dbraw/zinc/88/34/16/956883416.db2.gz UGWAFEITYYVDMA-HNNXBMFYSA-N -1 3 378.900 3.060 20 0 GGADHM COC(=O)c1ccc(CN2CCCC[C@H]2CCC(=O)[O-])c(Br)c1 ZINC000903698596 956889446 /nfs/dbraw/zinc/88/94/46/956889446.db2.gz ZTXACWAPHNDEMD-AWEZNQCLSA-N -1 3 384.270 3.455 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN(CCO)[C@H]3CCCc4ccccc43)o2)CC1 ZINC000904193180 956918052 /nfs/dbraw/zinc/91/80/52/956918052.db2.gz BYAVBCFRSBOBPB-NRFANRHFSA-N -1 3 398.503 3.453 20 0 GGADHM CCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@@H](O)c1ccc(C)cc1 ZINC000904195703 956923795 /nfs/dbraw/zinc/92/37/95/956923795.db2.gz PERBSNZORNCPJF-HXUWFJFHSA-N -1 3 386.492 3.445 20 0 GGADHM CCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@H](O)c1ccc(C)cc1 ZINC000904195702 956925214 /nfs/dbraw/zinc/92/52/14/956925214.db2.gz PERBSNZORNCPJF-FQEVSTJZSA-N -1 3 386.492 3.445 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC(Cc4cccnc4)CC3)o2)CC1 ZINC000904230888 956926311 /nfs/dbraw/zinc/92/63/11/956926311.db2.gz JEWRCQJVDIEKBV-UHFFFAOYSA-N -1 3 383.492 3.430 20 0 GGADHM COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904234574 956931346 /nfs/dbraw/zinc/93/13/46/956931346.db2.gz MLMKVCZZBDONBU-LJQANCHMSA-N -1 3 386.492 3.270 20 0 GGADHM COC[C@H](Cc1ccccc1)N(C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904234573 956931384 /nfs/dbraw/zinc/93/13/84/956931384.db2.gz MLMKVCZZBDONBU-IBGZPJMESA-N -1 3 386.492 3.270 20 0 GGADHM C[C@@]1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)OCCc2sccc21 ZINC001589246843 956935744 /nfs/dbraw/zinc/93/57/44/956935744.db2.gz LLAUAUZHNVRACR-VLIAUNLRSA-N -1 3 390.505 3.220 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000909624953 957033419 /nfs/dbraw/zinc/03/34/19/957033419.db2.gz TXHKIVCCZUOUDW-PKOBYXMFSA-N -1 3 392.455 3.435 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000923470589 957119041 /nfs/dbraw/zinc/11/90/41/957119041.db2.gz MOVHFAZMLJMDJM-XOBRGWDASA-N -1 3 389.521 3.220 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)N1CCc2ccccc2C1 ZINC001603193223 972297229 /nfs/dbraw/zinc/29/72/29/972297229.db2.gz VMYGXZUOZLTJTJ-YLJYHZDGSA-N -1 3 397.519 3.117 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001339721584 957869669 /nfs/dbraw/zinc/86/96/69/957869669.db2.gz ABKAABNAIYODMR-CDHQVMDDSA-N -1 3 381.476 3.119 20 0 GGADHM O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001339938040 957905920 /nfs/dbraw/zinc/90/59/20/957905920.db2.gz DQBWINDVANLUAO-WOJBJXKFSA-N -1 3 387.524 3.470 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)c2ccccc21 ZINC001341227138 957949486 /nfs/dbraw/zinc/94/94/86/957949486.db2.gz YSSSDKIRLUYARH-NHCUHLMSSA-N -1 3 393.487 3.047 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)Cc2ccccc21 ZINC001341224378 957949540 /nfs/dbraw/zinc/94/95/40/957949540.db2.gz FQFZZVNCXMGOBZ-RTWAWAEBSA-N -1 3 393.487 3.217 20 0 GGADHM CC(C)(CNC(=O)N1CCCC[C@H]1CCC(=O)[O-])N1CCc2ccccc2C1 ZINC001341244413 957956771 /nfs/dbraw/zinc/95/67/71/957956771.db2.gz OZARLOXPWWRUHP-IBGZPJMESA-N -1 3 387.524 3.252 20 0 GGADHM Cc1cc(N2CCC[C@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)ccc1Br ZINC001594312062 958042274 /nfs/dbraw/zinc/04/22/74/958042274.db2.gz XYTGWIYWXCIWMM-BBRMVZONSA-N -1 3 395.297 3.050 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2)cc(Br)c1O ZINC001594058382 958062112 /nfs/dbraw/zinc/06/21/12/958062112.db2.gz SMYYWRAGVOQGDI-HNNXBMFYSA-N -1 3 380.238 3.387 20 0 GGADHM CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001353155801 958151300 /nfs/dbraw/zinc/15/13/00/958151300.db2.gz MRNUDKDVGXDXCA-DUXKGJEZSA-N -1 3 393.487 3.216 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)c2ccccc21 ZINC001353156665 958153020 /nfs/dbraw/zinc/15/30/20/958153020.db2.gz TVHNTRVMVLZIPT-VQTJNVASSA-N -1 3 385.508 3.207 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001357532682 958202309 /nfs/dbraw/zinc/20/23/09/958202309.db2.gz OWBJFZIHAULJJF-UGKGYDQZSA-N -1 3 387.524 3.328 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@@H](c1ccccc1)N(C)C ZINC001603227043 972344094 /nfs/dbraw/zinc/34/40/94/972344094.db2.gz DZGZBXXVMILRAO-RCOXNQKVSA-N -1 3 395.503 3.188 20 0 GGADHM COc1ccc(NC(=O)[C@H](N[C@@H](C)CC(=O)[O-])c2ccccc2)cc1Cl ZINC001594101638 958441606 /nfs/dbraw/zinc/44/16/06/958441606.db2.gz NWVBWSIOGNVYHR-KPZWWZAWSA-N -1 3 376.840 3.481 20 0 GGADHM COc1ccc(NC(=O)[C@@H](N[C@@H](C)CC(=O)[O-])c2ccccc2)cc1Cl ZINC001594101640 958441698 /nfs/dbraw/zinc/44/16/98/958441698.db2.gz NWVBWSIOGNVYHR-SGTLLEGYSA-N -1 3 376.840 3.481 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)C2=O)c1 ZINC001594364457 958476718 /nfs/dbraw/zinc/47/67/18/958476718.db2.gz FKNFPPLDTGFQRX-NLWGTHIKSA-N -1 3 396.462 3.430 20 0 GGADHM COc1ccc(O[C@@H](C)CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594107304 958479766 /nfs/dbraw/zinc/47/97/66/958479766.db2.gz HVLBWWGMJAEDSA-HOTGVXAUSA-N -1 3 388.464 3.146 20 0 GGADHM COc1ccc(OC)c([C@H](O)CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001594107898 958490764 /nfs/dbraw/zinc/49/07/64/958490764.db2.gz NPPNUOSSLSKMQT-HXUWFJFHSA-N -1 3 385.460 3.315 20 0 GGADHM COc1ccc(Oc2ccc(CN[C@@H]3CCCCN(CC(=O)[O-])C3=O)cc2)cc1 ZINC001594111417 958509766 /nfs/dbraw/zinc/50/97/66/958509766.db2.gz ZIMVHAJGPRWABM-HXUWFJFHSA-N -1 3 398.459 3.043 20 0 GGADHM COc1cccc(OCCCNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC001594131334 958672608 /nfs/dbraw/zinc/67/26/08/958672608.db2.gz BLORLAMILZXWMR-INIZCTEOSA-N -1 3 388.464 3.148 20 0 GGADHM CC(=O)c1ccccc1NC(=O)CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588533591 958909369 /nfs/dbraw/zinc/90/93/69/958909369.db2.gz GBRFLQMMMQPKGV-LJQANCHMSA-N -1 3 380.444 3.292 20 0 GGADHM CC(C)[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)C(=O)OC(C)(C)C ZINC001573499863 959054160 /nfs/dbraw/zinc/05/41/60/959054160.db2.gz NQYXBNQDDAPRPK-QGZVFWFLSA-N -1 3 394.512 3.284 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573554957 959252493 /nfs/dbraw/zinc/25/24/93/959252493.db2.gz PTHGXYXHKSBJCD-NCUBBLFSSA-N -1 3 386.448 3.197 20 0 GGADHM CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000178902383 959431812 /nfs/dbraw/zinc/43/18/12/959431812.db2.gz QAYOUYOHLJFKNU-FQEVSTJZSA-N -1 3 396.487 3.021 20 0 GGADHM C[C@@](NCc1c[nH]c(C(=O)OCc2ccccc2)c1)(C(=O)[O-])c1ccccc1 ZINC001573631686 959559551 /nfs/dbraw/zinc/55/95/51/959559551.db2.gz WSJRHAKKLNXPJU-QFIPXVFZSA-N -1 3 378.428 3.461 20 0 GGADHM Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNC[C@@](C)(O)C(=O)[O-] ZINC001594476683 959604916 /nfs/dbraw/zinc/60/49/16/959604916.db2.gz BDIUIMKMZWBNOZ-OAQYLSRUSA-N -1 3 399.422 3.037 20 0 GGADHM Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@](C)(O)C(=O)[O-] ZINC001594476873 959607236 /nfs/dbraw/zinc/60/72/36/959607236.db2.gz LGAQSPABEFVOHF-OAQYLSRUSA-N -1 3 399.422 3.037 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588666555 960454599 /nfs/dbraw/zinc/45/45/99/960454599.db2.gz DWBLMUUMZVCLAD-CVEARBPZSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)C1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CCC1 ZINC001588667989 960473022 /nfs/dbraw/zinc/47/30/22/960473022.db2.gz VZAUBOKKZYIRCK-HNNXBMFYSA-N -1 3 392.496 3.182 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@H](N2CCC(C)(C(=O)[O-])CC2)[C@@H](O)c2ccccc21 ZINC001588675859 960543437 /nfs/dbraw/zinc/54/34/37/960543437.db2.gz DITHZDPQFQUERU-IRXDYDNUSA-N -1 3 390.480 3.030 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CC[C@@H]21 ZINC001238234897 960632802 /nfs/dbraw/zinc/63/28/02/960632802.db2.gz ZEMCNFIQOOPQIH-YOEHRIQHSA-N -1 3 378.444 3.355 20 0 GGADHM COc1ccc(CNCCc2ccccc2C(=O)[O-])c(Br)c1O ZINC001255786961 960654106 /nfs/dbraw/zinc/65/41/06/960654106.db2.gz ROLIILYAXOUXLT-UHFFFAOYSA-N -1 3 380.238 3.194 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001574286349 960661752 /nfs/dbraw/zinc/66/17/52/960661752.db2.gz PJGWJPSGJXMRON-JRGCBEDISA-N -1 3 395.503 3.017 20 0 GGADHM Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)C[C@H](C)C(=O)[O-])C1=O ZINC001574307815 960752422 /nfs/dbraw/zinc/75/24/22/960752422.db2.gz LKRSRKZNGOOYPJ-ZFWWWQNUSA-N -1 3 397.313 3.214 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c2ccccc2)CC1 ZINC001262564526 960853213 /nfs/dbraw/zinc/85/32/13/960853213.db2.gz LAYNKJHMGBWXJF-HBMCJLEFSA-N -1 3 399.535 3.212 20 0 GGADHM C/C(=C\C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC001263629939 960874474 /nfs/dbraw/zinc/87/44/74/960874474.db2.gz VCSXSSRFPLKEAY-RDOKFVIMSA-N -1 3 384.501 3.387 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCc3cc(F)ccc32)CCCN(Cc2ccccc2)C1 ZINC001263629714 960876385 /nfs/dbraw/zinc/87/63/85/960876385.db2.gz MAANNVGHTSOGRI-NFBKMPQASA-N -1 3 396.462 3.091 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000237373351 960919469 /nfs/dbraw/zinc/91/94/69/960919469.db2.gz BQHLPSPTGZUCGC-MRXNPFEDSA-N -1 3 398.528 3.430 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588727242 961077833 /nfs/dbraw/zinc/07/78/33/961077833.db2.gz KTYILPYKZWODOF-OIISXLGYSA-N -1 3 392.496 3.181 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001588727359 961078564 /nfs/dbraw/zinc/07/85/64/961078564.db2.gz LNLJOEMSRKASPW-CVEARBPZSA-N -1 3 392.496 3.181 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2cccc3nsnc32)C[C@H]1c1ccc(F)cc1F ZINC001326533783 961105693 /nfs/dbraw/zinc/10/56/93/961105693.db2.gz PJZJJVNITKIODJ-UONOGXRCSA-N -1 3 375.400 3.270 20 0 GGADHM CCCN(CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-])CC(C)C ZINC001573849623 961133721 /nfs/dbraw/zinc/13/37/21/961133721.db2.gz YSNFYSISSFXTHL-UHFFFAOYSA-N -1 3 384.498 3.238 20 0 GGADHM CCOC(=O)C(CC)(CC)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001573890659 961356338 /nfs/dbraw/zinc/35/63/38/961356338.db2.gz KPXSQSAPCYRGMP-OAHLLOKOSA-N -1 3 380.485 3.040 20 0 GGADHM CCOC(=O)C(CC)(CC)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001573890657 961357365 /nfs/dbraw/zinc/35/73/65/961357365.db2.gz KPXSQSAPCYRGMP-HNNXBMFYSA-N -1 3 380.485 3.040 20 0 GGADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001588795678 961390333 /nfs/dbraw/zinc/39/03/33/961390333.db2.gz OKCKGKCRUPFNEN-UHFFFAOYSA-N -1 3 388.508 3.179 20 0 GGADHM Cc1oc(CN(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC001332605943 961600310 /nfs/dbraw/zinc/60/03/10/961600310.db2.gz IAOKYWQQNZFWNH-MRXNPFEDSA-N -1 3 388.439 3.296 20 0 GGADHM CC(C)[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001588830517 961708875 /nfs/dbraw/zinc/70/88/75/961708875.db2.gz GEHSIYLFLYZVQH-DOTOQJQBSA-N -1 3 394.512 3.284 20 0 GGADHM CC(C)[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001588830520 961709316 /nfs/dbraw/zinc/70/93/16/961709316.db2.gz GEHSIYLFLYZVQH-WBVHZDCISA-N -1 3 394.512 3.284 20 0 GGADHM CN(C)Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c2c1OC(F)(F)O2 ZINC001573990915 961824768 /nfs/dbraw/zinc/82/47/68/961824768.db2.gz SUMUYFRUMHENOK-HNNXBMFYSA-N -1 3 396.365 3.124 20 0 GGADHM C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000262747427 961844861 /nfs/dbraw/zinc/84/48/61/961844861.db2.gz ARADOKXROIWNOY-WIYYLYMNSA-N -1 3 386.536 3.433 20 0 GGADHM CCCN1CCCC[C@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001334980733 961869615 /nfs/dbraw/zinc/86/96/15/961869615.db2.gz YOQKYAHFOHFKQI-RTWAWAEBSA-N -1 3 382.504 3.464 20 0 GGADHM CCCN1CCCC[C@@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001334980729 961869714 /nfs/dbraw/zinc/86/97/14/961869714.db2.gz YOQKYAHFOHFKQI-LEWJYISDSA-N -1 3 382.504 3.464 20 0 GGADHM CCCN1CCCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001339524414 962038846 /nfs/dbraw/zinc/03/88/46/962038846.db2.gz VCSUWKGXUYIAKU-HNNXBMFYSA-N -1 3 383.286 3.028 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001339837577 962075128 /nfs/dbraw/zinc/07/51/28/962075128.db2.gz XBASMDVJYGRNNE-JKSUJKDBSA-N -1 3 379.526 3.171 20 0 GGADHM CSc1ccc([C@H](CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)N(C)C)cc1 ZINC001339864968 962081950 /nfs/dbraw/zinc/08/19/50/962081950.db2.gz WZHVNEAMSHUCKC-YJBOKZPZSA-N -1 3 393.553 3.298 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001340461090 962093165 /nfs/dbraw/zinc/09/31/65/962093165.db2.gz GWHOGSYJFFJZPE-OZOXKJRCSA-N -1 3 393.487 3.216 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001340461091 962094635 /nfs/dbraw/zinc/09/46/35/962094635.db2.gz GWHOGSYJFFJZPE-PBEJRMEISA-N -1 3 393.487 3.216 20 0 GGADHM CC[C@@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001343020947 962153482 /nfs/dbraw/zinc/15/34/82/962153482.db2.gz LMGYLXIVLNDSBA-XLIONFOSSA-N -1 3 387.524 3.110 20 0 GGADHM CC[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001344485361 962176990 /nfs/dbraw/zinc/17/69/90/962176990.db2.gz QUAMFZCYZSHEDP-NZQKXSOJSA-N -1 3 380.488 3.416 20 0 GGADHM CC(C)C[C@@H](CNCc1c(F)ccc(I)c1F)C(=O)[O-] ZINC000263063202 962203732 /nfs/dbraw/zinc/20/37/32/962203732.db2.gz NFSMXBWOFFWHBO-VIFPVBQESA-N -1 3 397.203 3.406 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263088125 962235962 /nfs/dbraw/zinc/23/59/62/962235962.db2.gz IPLIOKVBJIMRQG-FXAWDEMLSA-N -1 3 388.508 3.326 20 0 GGADHM C/C(=C/C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345729332 962276046 /nfs/dbraw/zinc/27/60/46/962276046.db2.gz JUYVCBGISNIJGV-BEHCEJKESA-N -1 3 378.472 3.326 20 0 GGADHM Cn1c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc2ccccc21 ZINC001345729942 962276345 /nfs/dbraw/zinc/27/63/45/962276345.db2.gz QSHIXXWIVQVJIY-QHCPKHFHSA-N -1 3 391.471 3.028 20 0 GGADHM COc1cc(C)cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC001345745385 962278098 /nfs/dbraw/zinc/27/80/98/962278098.db2.gz JSJLFAGBIZAFGT-QHCPKHFHSA-N -1 3 396.487 3.161 20 0 GGADHM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347496176 962389323 /nfs/dbraw/zinc/38/93/23/962389323.db2.gz PKQVDOKSXODCCH-OKRNDORHSA-N -1 3 396.462 3.465 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC(Cc4cccnc4)CC3)o2)C1 ZINC001574652105 962448717 /nfs/dbraw/zinc/44/87/17/962448717.db2.gz UZNIDLARELOHLO-IBGZPJMESA-N -1 3 383.492 3.430 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN(CCCO)[C@H]3CCc4ccccc43)o2)C1 ZINC001574652496 962454499 /nfs/dbraw/zinc/45/44/99/962454499.db2.gz ZENWJWQPQFIFRN-NQIIRXRSSA-N -1 3 398.503 3.453 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263371854 962530346 /nfs/dbraw/zinc/53/03/46/962530346.db2.gz NEEJTOXDSMPHTC-QFBILLFUSA-N -1 3 381.904 3.229 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263375327 962532627 /nfs/dbraw/zinc/53/26/27/962532627.db2.gz ODVBCZVGNCWGLW-ACBHZAAOSA-N -1 3 375.513 3.086 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)cc1 ZINC000263379944 962536512 /nfs/dbraw/zinc/53/65/12/962536512.db2.gz OTWSZDSBOKIKIB-TVPLGVNVSA-N -1 3 391.512 3.019 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)cc1 ZINC000263379943 962536885 /nfs/dbraw/zinc/53/68/85/962536885.db2.gz OTWSZDSBOKIKIB-FAFZWHIHSA-N -1 3 391.512 3.019 20 0 GGADHM CN1C(=O)C[C@@H](NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263380863 962540186 /nfs/dbraw/zinc/54/01/86/962540186.db2.gz BPHQVMVFRRRFQA-AEFFLSMTSA-N -1 3 376.815 3.239 20 0 GGADHM O=C([O-])c1cccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000263388718 962545701 /nfs/dbraw/zinc/54/57/01/962545701.db2.gz DQXLSWPUAUPIJK-INIZCTEOSA-N -1 3 392.377 3.294 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001574132882 962547308 /nfs/dbraw/zinc/54/73/08/962547308.db2.gz CKJSQYKRFZHURP-QKKBWIMNSA-N -1 3 381.432 3.374 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001574132884 962548510 /nfs/dbraw/zinc/54/85/10/962548510.db2.gz CKJSQYKRFZHURP-SZNDQCEHSA-N -1 3 381.432 3.374 20 0 GGADHM CN1C(=O)C[C@H](NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263438478 962616296 /nfs/dbraw/zinc/61/62/96/962616296.db2.gz VJDFNPLWEUWKFH-FUHWJXTLSA-N -1 3 376.815 3.239 20 0 GGADHM COc1c(Br)cc(Br)cc1CN(C)C[C@H](C)C(=O)[O-] ZINC000263454089 962641345 /nfs/dbraw/zinc/64/13/45/962641345.db2.gz AJOVRUWGRSBTCL-QMMMGPOBSA-N -1 3 395.091 3.373 20 0 GGADHM O=C([O-])CCCCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001574700251 962679758 /nfs/dbraw/zinc/67/97/58/962679758.db2.gz LBLRGOHUZZRPJU-UHFFFAOYSA-N -1 3 379.526 3.044 20 0 GGADHM CC(C)c1nc(CCNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cs1 ZINC001588974973 962687553 /nfs/dbraw/zinc/68/75/53/962687553.db2.gz LLHRKUOHSAMBFD-AWEZNQCLSA-N -1 3 377.510 3.493 20 0 GGADHM CC(C)n1ncc2cc(CNC[C@@H]3CCC4(CC(C(=O)[O-])C4)O3)c(Cl)nc21 ZINC001588986788 962756788 /nfs/dbraw/zinc/75/67/88/962756788.db2.gz HBPVRNSGEVDNJT-HVEKOLDVSA-N -1 3 392.887 3.168 20 0 GGADHM CC(C)(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)nc1 ZINC001517331876 962765571 /nfs/dbraw/zinc/76/55/71/962765571.db2.gz GGSATHCQENFWPR-HSZRJFAPSA-N -1 3 395.503 3.228 20 0 GGADHM COc1cc(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc(C(F)(F)F)c1 ZINC001574182177 962817035 /nfs/dbraw/zinc/81/70/35/962817035.db2.gz RAEIDSYJSSPVMT-KGLIPLIRSA-N -1 3 397.397 3.138 20 0 GGADHM C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)[C@H](c1ccccc1)N(C)C ZINC001521158344 962860457 /nfs/dbraw/zinc/86/04/57/962860457.db2.gz LHIZTCXDGWATFW-RYGJVYDSSA-N -1 3 381.476 3.071 20 0 GGADHM O=C(CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000280992197 962863536 /nfs/dbraw/zinc/86/35/36/962863536.db2.gz KYTZXXHYSZBLFN-MBSDFSHPSA-N -1 3 394.471 3.391 20 0 GGADHM Cc1ccc(C[C@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001526703875 962875060 /nfs/dbraw/zinc/87/50/60/962875060.db2.gz COAHZUOPDNGTDQ-YADARESESA-N -1 3 394.515 3.409 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc(F)c3occc32)CCCN(Cc2ccccc2)C1 ZINC001526712546 962879581 /nfs/dbraw/zinc/87/95/81/962879581.db2.gz XTDPIIBMNNLFAG-QFIPXVFZSA-N -1 3 396.418 3.421 20 0 GGADHM COc1ccc(C[C@@H](NCc2c(C(=O)[O-])cnn2C)c2ccc(OC)cc2)cc1 ZINC001574204255 962900044 /nfs/dbraw/zinc/90/00/44/962900044.db2.gz IGDZWLWFCFDHCZ-HXUWFJFHSA-N -1 3 395.459 3.209 20 0 GGADHM O=C([O-])[C@@H]1CN([C@H]2CCCN(c3ccccc3F)C2=O)C[C@@H]1c1ccccc1 ZINC001549035466 962926428 /nfs/dbraw/zinc/92/64/28/962926428.db2.gz BSESHYHMOMASHT-HLIPFELVSA-N -1 3 382.435 3.121 20 0 GGADHM O=C([O-])[C@@H]1CN([C@H]2CCCN(c3cccc(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC001549035476 962926741 /nfs/dbraw/zinc/92/67/41/962926741.db2.gz CCLDSUQLRMSKQG-AQNXPRMDSA-N -1 3 382.435 3.121 20 0 GGADHM O=C([O-])[C@@H]1CN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC001549035477 962926792 /nfs/dbraw/zinc/92/67/92/962926792.db2.gz CCLDSUQLRMSKQG-VAMGGRTRSA-N -1 3 382.435 3.121 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)C2=O)c1 ZINC001549035729 962928459 /nfs/dbraw/zinc/92/84/59/962928459.db2.gz FKNFPPLDTGFQRX-GGPKGHCWSA-N -1 3 396.462 3.430 20 0 GGADHM CC1CCC(N(C(=O)CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C2CC2)CC1 ZINC001549038929 962942190 /nfs/dbraw/zinc/94/21/90/962942190.db2.gz ZJYOMDZAZFDEEY-LNHIOMRXSA-N -1 3 384.520 3.356 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262900300 967830596 /nfs/dbraw/zinc/83/05/96/967830596.db2.gz CTYBQFJAAZBZIQ-OAHLLOKOSA-N -1 3 389.418 3.204 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000263225408 967863890 /nfs/dbraw/zinc/86/38/90/967863890.db2.gz ZXURUGSEUPJYTP-FUHWJXTLSA-N -1 3 376.472 3.141 20 0 GGADHM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000449150416 968379248 /nfs/dbraw/zinc/37/92/48/968379248.db2.gz ZQNRNXSPHZZTPF-WMZOPIPTSA-N -1 3 378.488 3.433 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000575995292 968458813 /nfs/dbraw/zinc/45/88/13/968458813.db2.gz KCFIQARAIMPFEY-KRWDZBQOSA-N -1 3 384.354 3.284 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000579587324 968471022 /nfs/dbraw/zinc/47/10/22/968471022.db2.gz CPPOJWAHKBVUIZ-YSIASYRMSA-N -1 3 387.524 3.212 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c2cccs2)CC1 ZINC000626744962 968514646 /nfs/dbraw/zinc/51/46/46/968514646.db2.gz PRFZQIIGFMTAIX-YESZJQIVSA-N -1 3 393.553 3.273 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)N(C)C)cc1 ZINC000626763464 968518396 /nfs/dbraw/zinc/51/83/96/968518396.db2.gz JPUMMPNPRQQUBX-AHRSYUTCSA-N -1 3 389.540 3.240 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccco1 ZINC000652095662 968622759 /nfs/dbraw/zinc/62/27/59/968622759.db2.gz NMOPHHDBYHBZHD-LUQKVYGDSA-N -1 3 387.480 3.051 20 0 GGADHM O=C([O-])[C@H]1CN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000652470605 968633741 /nfs/dbraw/zinc/63/37/41/968633741.db2.gz BXMIOAYQFLCLTO-QAPCUYQASA-N -1 3 395.377 3.129 20 0 GGADHM C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655860891 968694954 /nfs/dbraw/zinc/69/49/54/968694954.db2.gz WUMWRUZLYCKPCB-JONQDZQNSA-N -1 3 393.553 3.320 20 0 GGADHM C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655860690 968695408 /nfs/dbraw/zinc/69/54/08/968695408.db2.gz WUMWRUZLYCKPCB-CAOSSQGBSA-N -1 3 393.553 3.320 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655863854 968697539 /nfs/dbraw/zinc/69/75/39/968697539.db2.gz QSGVUBSGBPGKEH-OQIJWPOYSA-N -1 3 387.524 3.086 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)CC(=O)[O-] ZINC000659395620 968730486 /nfs/dbraw/zinc/73/04/86/968730486.db2.gz QZOAQCKBVVTTOQ-AOIWGVFYSA-N -1 3 375.513 3.258 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)CC(=O)[O-] ZINC000659395622 968731009 /nfs/dbraw/zinc/73/10/09/968731009.db2.gz QZOAQCKBVVTTOQ-LNLFQRSKSA-N -1 3 375.513 3.258 20 0 GGADHM CC(C)C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)CC(=O)[O-] ZINC000659417998 968738571 /nfs/dbraw/zinc/73/85/71/968738571.db2.gz UPNNXAFMDZBUKL-ICSRJNTNSA-N -1 3 389.540 3.429 20 0 GGADHM CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203838 968754172 /nfs/dbraw/zinc/75/41/72/968754172.db2.gz RQBJAMGFTOLYSP-QGZVFWFLSA-N -1 3 390.480 3.450 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)Cc2ccccc21 ZINC000663133607 968825830 /nfs/dbraw/zinc/82/58/30/968825830.db2.gz DLMSMWOKDOMVIX-NQIIRXRSSA-N -1 3 396.462 3.248 20 0 GGADHM CC[C@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000737785038 969136906 /nfs/dbraw/zinc/13/69/06/969136906.db2.gz YZKXHXNQCAAPMG-HXUWFJFHSA-N -1 3 381.476 3.272 20 0 GGADHM CC[C@@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000737785036 969136947 /nfs/dbraw/zinc/13/69/47/969136947.db2.gz YZKXHXNQCAAPMG-FQEVSTJZSA-N -1 3 381.476 3.272 20 0 GGADHM CC(C)(C)c1cccc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852733435 969289695 /nfs/dbraw/zinc/28/96/95/969289695.db2.gz QDNLMRRJACFYGF-LSDHHAIUSA-N -1 3 386.414 3.080 20 0 GGADHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3ccc(Sc4ccccn4)o3)C2)cn1 ZINC000874048177 969365173 /nfs/dbraw/zinc/36/51/73/969365173.db2.gz LUADFHJCUYBMQO-HUUCEWRRSA-N -1 3 398.488 3.250 20 0 GGADHM COc1cccc([C@@H](CNC(=O)NCc2ccccc2C(=O)[O-])N2CCCC2)c1 ZINC000874382738 969370182 /nfs/dbraw/zinc/37/01/82/969370182.db2.gz MWJYDHJUGZCTGI-HXUWFJFHSA-N -1 3 397.475 3.030 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000874401215 969381091 /nfs/dbraw/zinc/38/10/91/969381091.db2.gz HISBMVKJCAAVCO-FQEVSTJZSA-N -1 3 399.491 3.274 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000874401216 969381451 /nfs/dbraw/zinc/38/14/51/969381451.db2.gz HISBMVKJCAAVCO-HXUWFJFHSA-N -1 3 399.491 3.274 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410091 969388742 /nfs/dbraw/zinc/38/87/42/969388742.db2.gz JGGHRAOWTAZFHU-KRWDZBQOSA-N -1 3 381.476 3.191 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN[C@@H]3CCN(c4ccccc4F)C3)o2)CC1 ZINC000904243007 969604628 /nfs/dbraw/zinc/60/46/28/969604628.db2.gz YAJIYNQWEBBYGR-MRXNPFEDSA-N -1 3 387.455 3.088 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000923467068 969650891 /nfs/dbraw/zinc/65/08/91/969650891.db2.gz LCCIXLYNCMGACG-SJCJKPOMSA-N -1 3 383.286 3.353 20 0 GGADHM C[C@]1(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCN(Cc2ccccc2)C1 ZINC001121844260 969680041 /nfs/dbraw/zinc/68/00/41/969680041.db2.gz RQVUBSLROQXLFK-MZKRTTBSSA-N -1 3 393.487 3.263 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)N(C)C)cc1 ZINC001263069870 969695253 /nfs/dbraw/zinc/69/52/53/969695253.db2.gz CZLVGWUABJTIIF-ZCNNSNEGSA-N -1 3 381.476 3.210 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC001338582465 969734781 /nfs/dbraw/zinc/73/47/81/969734781.db2.gz MKZNFILKXBHYEN-DENIHFKCSA-N -1 3 389.540 3.429 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001595192826 970324545 /nfs/dbraw/zinc/32/45/45/970324545.db2.gz UMXAOWGDNJPUGJ-IBGZPJMESA-N -1 3 379.435 3.286 20 0 GGADHM O=C([O-])c1ccccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001605863319 972617495 /nfs/dbraw/zinc/61/74/95/972617495.db2.gz MJIBMFRYAKOWOQ-UHFFFAOYSA-N -1 3 385.386 3.312 20 0 GGADHM CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)CC1(O)CCC(C(=O)[O-])CC1 ZINC001604194691 972626447 /nfs/dbraw/zinc/62/64/47/972626447.db2.gz CEORTILJWBACSU-UHFFFAOYSA-N -1 3 385.386 3.019 20 0 GGADHM O=C([O-])[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CC1 ZINC001605900644 972725905 /nfs/dbraw/zinc/72/59/05/972725905.db2.gz FEQTYIOGUPGDQA-PWRODBHTSA-N -1 3 396.462 3.021 20 0 GGADHM O=C([O-])[C@H](NCc1cccc(I)c1)c1ccc(F)cc1 ZINC001605903653 972747498 /nfs/dbraw/zinc/74/74/98/972747498.db2.gz LQHKYDMBECYHNB-CQSZACIVSA-N -1 3 385.176 3.346 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC001605132657 972800275 /nfs/dbraw/zinc/80/02/75/972800275.db2.gz XOFHZACNMDSSQY-UHFFFAOYSA-N -1 3 375.428 3.204 20 0 GGADHM Cc1cc(CN2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c(C)o1 ZINC001605166100 972867277 /nfs/dbraw/zinc/86/72/77/972867277.db2.gz WCVYPDVZZZMPGB-INIZCTEOSA-N -1 3 380.485 3.430 20 0 GGADHM COC(=O)C1CC2(C1)CN(CCc1cc(Cl)cc(Cl)c1)C[C@@H]2C(=O)[O-] ZINC001604291436 972901273 /nfs/dbraw/zinc/90/12/73/972901273.db2.gz HDSNXROLKSIJSE-HBSPSFQMSA-N -1 3 386.275 3.122 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cnc(CCc3ccccc3)s1)O2 ZINC001605988139 973045519 /nfs/dbraw/zinc/04/55/19/973045519.db2.gz TUBMXUARLSRBKQ-BQIYRTECSA-N -1 3 386.517 3.430 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cccc(F)c1OCC(F)(F)F)O2 ZINC001605988419 973050849 /nfs/dbraw/zinc/05/08/49/973050849.db2.gz ZTMZWWQFRMCUJC-JZLYGMAVSA-N -1 3 391.361 3.269 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cccc(F)c1OCC(F)(F)F)O2 ZINC001605988420 973051003 /nfs/dbraw/zinc/05/10/03/973051003.db2.gz ZTMZWWQFRMCUJC-UIORMTCPSA-N -1 3 391.361 3.269 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc(Cl)cc3)o2)C1 ZINC001605998868 973080988 /nfs/dbraw/zinc/08/09/88/973080988.db2.gz OUAILKAYFOMMNL-YOEHRIQHSA-N -1 3 378.856 3.057 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN[C@@H]3CCCN(c4ccccc4)C3)o2)C1 ZINC001605999575 973088433 /nfs/dbraw/zinc/08/84/33/973088433.db2.gz VPNNLWUYONMMLK-ZWKOTPCHSA-N -1 3 383.492 3.339 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCN(c4ccccc4)C3)o2)C1 ZINC001605999573 973089179 /nfs/dbraw/zinc/08/91/79/973089179.db2.gz VPNNLWUYONMMLK-QZTJIDSGSA-N -1 3 383.492 3.339 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@@H]3CC[C@@H]4SCCS[C@@H]34)o2)C1 ZINC001605999777 973092490 /nfs/dbraw/zinc/09/24/90/973092490.db2.gz ZMSPAMRQNMGYBO-UTXMOHQDSA-N -1 3 382.551 3.050 20 0 GGADHM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3cc4ccnc(Cl)c4s3)C2)cn1 ZINC001605487929 973611992 /nfs/dbraw/zinc/61/19/92/973611992.db2.gz BADONGFLJWCGOI-OLZOCXBDSA-N -1 3 390.896 3.374 20 0 GGADHM CC[C@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H](O)c1ccccc1F ZINC001603585868 973757516 /nfs/dbraw/zinc/75/75/16/973757516.db2.gz NWQHZMXVTTVLEZ-HEFCMCLBSA-N -1 3 390.455 3.322 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405187300 973773886 /nfs/dbraw/zinc/77/38/86/973773886.db2.gz MFAPUAYYVXIPQX-OTWHNJEPSA-N -1 3 375.513 3.086 20 0 GGADHM CCCC[C@](C)(N[C@H]1CCN(CC(=O)[O-])C1=O)c1cccc(Br)c1 ZINC001603640923 973986959 /nfs/dbraw/zinc/98/69/59/973986959.db2.gz LVYJLOZWLMTOMT-YJBOKZPZSA-N -1 3 397.313 3.130 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001606529007 974040889 /nfs/dbraw/zinc/04/08/89/974040889.db2.gz NIMWKIQZDZPQRR-HXUWFJFHSA-N -1 3 375.852 3.401 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001606529005 974041227 /nfs/dbraw/zinc/04/12/27/974041227.db2.gz NIMWKIQZDZPQRR-FQEVSTJZSA-N -1 3 375.852 3.401 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000426692145 974044536 /nfs/dbraw/zinc/04/45/36/974044536.db2.gz OYRHFJPRNYXKLS-OAHLLOKOSA-N -1 3 391.258 3.360 20 0 GGADHM COc1cccc([C@@H](CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)OC)c1 ZINC001604856866 974099861 /nfs/dbraw/zinc/09/98/61/974099861.db2.gz FZMAJNBNQCTRDG-QFBILLFUSA-N -1 3 388.464 3.067 20 0 GGADHM COc1ccccc1O[C@H](C)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001604896803 974151792 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ZINC000566362827 974610659 /nfs/dbraw/zinc/61/06/59/974610659.db2.gz WVOQBNWMTLAUKO-ZBFHGGJFSA-N -1 3 387.398 3.179 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000566366468 974611982 /nfs/dbraw/zinc/61/19/82/974611982.db2.gz CEQYRFDPAFNDGO-SFHVURJKSA-N -1 3 379.378 3.365 20 0 GGADHM O=C([O-])c1cccc2c1CCN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000566509350 974614900 /nfs/dbraw/zinc/61/49/00/974614900.db2.gz SHJFCODPCUGUML-MRXNPFEDSA-N -1 3 379.378 3.365 20 0 GGADHM C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000568072702 974660540 /nfs/dbraw/zinc/66/05/40/974660540.db2.gz LLHMRRJNPOOZRK-ZHRRBRCNSA-N -1 3 377.444 3.450 20 0 GGADHM COc1cc(-c2noc(CN3CC[C@](C(=O)[O-])(c4ccccc4)C3)n2)ccc1C ZINC000568073872 974660751 /nfs/dbraw/zinc/66/07/51/974660751.db2.gz PAZBJDVHABZKJT-JOCHJYFZSA-N -1 3 393.443 3.282 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000571571466 974732571 /nfs/dbraw/zinc/73/25/71/974732571.db2.gz SZQAXAZOHDOPCZ-RHSMWYFYSA-N -1 3 396.270 3.245 20 0 GGADHM COc1ccc(C[C@H](C)CN(C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000572848539 974754885 /nfs/dbraw/zinc/75/48/85/974754885.db2.gz ODYWDLNKMZFTMJ-IRXDYDNUSA-N -1 3 398.503 3.209 20 0 GGADHM COc1cccc(CN(CCOc2cccc(C(=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000573855857 974772116 /nfs/dbraw/zinc/77/21/16/974772116.db2.gz ZRKWXDUSDOKRFS-NRFANRHFSA-N -1 3 385.460 3.453 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1 ZINC000574922503 974792319 /nfs/dbraw/zinc/79/23/19/974792319.db2.gz XIJOHCSAZCABGX-RXCQSBSCSA-N -1 3 389.492 3.499 20 0 GGADHM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3)C2)nn1 ZINC000574995828 974792911 /nfs/dbraw/zinc/79/29/11/974792911.db2.gz KQVBSOGUQYEETI-LJQANCHMSA-N -1 3 392.459 3.392 20 0 GGADHM COc1ccccc1[C@H](CNc1nc(C(=O)[O-])c(C)s1)N1CCCCC1 ZINC000580315312 974891861 /nfs/dbraw/zinc/89/18/61/974891861.db2.gz BWRHNPLBUZUACS-HNNXBMFYSA-N -1 3 375.494 3.219 20 0 GGADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582551580 974927946 /nfs/dbraw/zinc/92/79/46/974927946.db2.gz JLYFYVZNCNZMRF-DGCLKSJQSA-N -1 3 384.358 3.273 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000630227307 975175701 /nfs/dbraw/zinc/17/57/01/975175701.db2.gz ZRKJUMBNDJGDMD-CYBMUJFWSA-N -1 3 386.414 3.206 20 0 GGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000647732585 975375742 /nfs/dbraw/zinc/37/57/42/975375742.db2.gz OBVSAUXJCWROHA-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000650504728 975444268 /nfs/dbraw/zinc/44/42/68/975444268.db2.gz AAQAWIKZKLAKRX-QUCCMNQESA-N -1 3 388.508 3.468 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)CN3CCCC[C@@H]3CC(=O)[O-])ccc2c1 ZINC000650504271 975445369 /nfs/dbraw/zinc/44/53/69/975445369.db2.gz FXHXXKCEYCFVLQ-LJQANCHMSA-N -1 3 384.476 3.136 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000650504729 975445420 /nfs/dbraw/zinc/44/54/20/975445420.db2.gz AAQAWIKZKLAKRX-UYAOXDASSA-N -1 3 388.508 3.468 20 0 GGADHM O=C([O-])C[C@H]1CCCCN1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000650505958 975446398 /nfs/dbraw/zinc/44/63/98/975446398.db2.gz WYVGGMLTOYKCEX-HXUWFJFHSA-N -1 3 396.487 3.211 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000652459754 975541689 /nfs/dbraw/zinc/54/16/89/975541689.db2.gz JYBCIIHSFWUGSF-INIZCTEOSA-N -1 3 383.366 3.275 20 0 GGADHM Cn1c(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000652500199 975561555 /nfs/dbraw/zinc/56/15/55/975561555.db2.gz DQGZKZXUGCUCDS-NRFANRHFSA-N -1 3 396.878 3.364 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000656757649 975684508 /nfs/dbraw/zinc/68/45/08/975684508.db2.gz SGTCXUHCRHQWQH-KGLIPLIRSA-N -1 3 383.370 3.254 20 0 GGADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656764376 975694180 /nfs/dbraw/zinc/69/41/80/975694180.db2.gz XMAMUGZXMGXQIU-PKOBYXMFSA-N 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CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC001591776588 975921584 /nfs/dbraw/zinc/92/15/84/975921584.db2.gz CHTLGIMGHBQTNW-IBGZPJMESA-N -1 3 388.439 3.344 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663134903 975933153 /nfs/dbraw/zinc/93/31/53/975933153.db2.gz MEIIWMSRVKJDEU-SFHVURJKSA-N -1 3 378.428 3.319 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663134902 975933190 /nfs/dbraw/zinc/93/31/90/975933190.db2.gz MEIIWMSRVKJDEU-GOSISDBHSA-N -1 3 378.428 3.319 20 0 GGADHM CC(C)c1[nH]c(CN2CCC(CCCN3CCOCC3)CC2)cc1C(=O)[O-] ZINC001591912089 976336625 /nfs/dbraw/zinc/33/66/25/976336625.db2.gz CCWSXQXXRJJMEA-UHFFFAOYSA-N -1 3 377.529 3.161 20 0 GGADHM CC(C)c1ccc([C@@H](NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949525 976506936 /nfs/dbraw/zinc/50/69/36/976506936.db2.gz WEQUHTVSLMMRMJ-OALUTQOASA-N -1 3 375.513 3.165 20 0 GGADHM CC(C)c1ccccc1CNCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001591993971 976626737 /nfs/dbraw/zinc/62/67/37/976626737.db2.gz CWUXORYSWUUQNS-UHFFFAOYSA-N -1 3 375.490 3.099 20 0 GGADHM CC(C)c1oc([C@@H]2CCCN2C(=O)[C@H](N)CCC(=O)[O-])nc1-c1ccccc1 ZINC001592102117 976865777 /nfs/dbraw/zinc/86/57/77/976865777.db2.gz BKCUBJGZSMBXRI-CVEARBPZSA-N -1 3 385.464 3.321 20 0 GGADHM CC(C)n1cnnc1[C@@H]1CCCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001592148087 977007104 /nfs/dbraw/zinc/00/71/04/977007104.db2.gz AYTQINCMYHQGLR-IEODJVTJSA-N -1 3 384.480 3.215 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cnccc1C(F)(F)F ZINC001592267957 977519390 /nfs/dbraw/zinc/51/93/90/977519390.db2.gz ITVUCGSKUHILIU-LLVKDONJSA-N -1 3 381.354 3.306 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001592270031 977533081 /nfs/dbraw/zinc/53/30/81/977533081.db2.gz OPWOTUABUIUDJY-JXFKEZNVSA-N -1 3 392.459 3.330 20 0 GGADHM C[C@@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC001592271358 977542567 /nfs/dbraw/zinc/54/25/67/977542567.db2.gz ZUZWCUCWXGKLQY-LSDHHAIUSA-N -1 3 384.480 3.449 20 0 GGADHM C[C@H](NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC000721079053 978093945 /nfs/dbraw/zinc/09/39/45/978093945.db2.gz YAYWJFQLDJQPTC-FRRDWIJNSA-N -1 3 383.514 3.385 20 0 GGADHM C[C@@](CCF)([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C(=O)[O-] ZINC001592507707 978328950 /nfs/dbraw/zinc/32/89/50/978328950.db2.gz VJLMVQFWQWRITP-SFHVURJKSA-N -1 3 375.425 3.356 20 0 GGADHM CC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1C[C@@H](C)O ZINC000736945931 978368553 /nfs/dbraw/zinc/36/85/53/978368553.db2.gz ZUMOKOIIUMGXQJ-OLZOCXBDSA-N -1 3 380.485 3.016 20 0 GGADHM CC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1C[C@H](C)O ZINC000736945932 978368888 /nfs/dbraw/zinc/36/88/88/978368888.db2.gz ZUMOKOIIUMGXQJ-QWHCGFSZSA-N -1 3 380.485 3.016 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)NC(CC)(CC)CC(=O)[O-])c(C)c2)CC1 ZINC000829780007 979007459 /nfs/dbraw/zinc/00/74/59/979007459.db2.gz AAIHMLMSGHGWPY-UHFFFAOYSA-N -1 3 390.528 3.292 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccccc1C(=O)[O-] ZINC000833638937 979212474 /nfs/dbraw/zinc/21/24/74/979212474.db2.gz YBUYMQALJCGSEC-LJQANCHMSA-N -1 3 391.855 3.209 20 0 GGADHM CC[C@H](CC(F)(F)F)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001595039868 979218287 /nfs/dbraw/zinc/21/82/87/979218287.db2.gz WMVOOBKIJNFPQE-CRAIPNDOSA-N -1 3 386.414 3.201 20 0 GGADHM C[C@](CO)(NCCOc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC001592749295 979302867 /nfs/dbraw/zinc/30/28/67/979302867.db2.gz KXZATPIIZBOAHE-GOSISDBHSA-N -1 3 394.265 3.023 20 0 GGADHM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000841771695 979307774 /nfs/dbraw/zinc/30/77/74/979307774.db2.gz WSJKQEFHFBFWAD-GOSISDBHSA-N -1 3 382.435 3.325 20 0 GGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000846243204 979419866 /nfs/dbraw/zinc/41/98/66/979419866.db2.gz DEUAZAUKWFDCGU-IAGOWNOFSA-N -1 3 398.297 3.235 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000846244059 979421111 /nfs/dbraw/zinc/42/11/11/979421111.db2.gz SLJWXKZQDFCCFT-WMLDXEAASA-N -1 3 387.398 3.491 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2CCN1C[C@H](O)c1ccccc1Br ZINC000846275694 979442998 /nfs/dbraw/zinc/44/29/98/979442998.db2.gz UAFRBHWUTFYJLG-IRXDYDNUSA-N -1 3 376.250 3.167 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846282672 979454289 /nfs/dbraw/zinc/45/42/89/979454289.db2.gz BPOHXUHYUADPQX-IUODEOHRSA-N -1 3 388.277 3.444 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846282671 979454572 /nfs/dbraw/zinc/45/45/72/979454572.db2.gz BPOHXUHYUADPQX-DOMZBBRYSA-N -1 3 388.277 3.444 20 0 GGADHM O=C([O-])[C@]12CN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C[C@H]1COCC2 ZINC000846288349 979458953 /nfs/dbraw/zinc/45/89/53/979458953.db2.gz YWVLIZWPXHJLJT-KBXCAEBGSA-N -1 3 396.365 3.284 20 0 GGADHM O=C([O-])C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000852959513 979592425 /nfs/dbraw/zinc/59/24/25/979592425.db2.gz NJHXWRYOKMSKBR-LPHOPBHVSA-N -1 3 398.425 3.058 20 0 GGADHM CC[C@H](CNC(=O)NCc1ccc(C(=O)[O-])s1)N1CCc2ccccc2C1 ZINC001595150310 979639863 /nfs/dbraw/zinc/63/98/63/979639863.db2.gz RRHXENXPYFZGKC-MRXNPFEDSA-N -1 3 387.505 3.082 20 0 GGADHM C[C@@H](CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816369 979647231 /nfs/dbraw/zinc/64/72/31/979647231.db2.gz CHLAPOVCHYIOSW-SWLSCSKDSA-N -1 3 393.285 3.179 20 0 GGADHM C[C@H](CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816368 979647333 /nfs/dbraw/zinc/64/73/33/979647333.db2.gz CHLAPOVCHYIOSW-IUODEOHRSA-N -1 3 393.285 3.179 20 0 GGADHM C[C@@](Cc1ccc(F)cc1)(NCc1nc2ccc(Cl)cc2c(=O)[nH]1)C(=O)[O-] ZINC001592854079 979649026 /nfs/dbraw/zinc/64/90/26/979649026.db2.gz KXMKAHJZHTXXTA-IBGZPJMESA-N -1 3 389.814 3.304 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1ccc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC000863310685 979659436 /nfs/dbraw/zinc/65/94/36/979659436.db2.gz NOMIFFIJMSWEEG-OAHLLOKOSA-N -1 3 376.478 3.268 20 0 GGADHM CC[C@H](CNCc1oc(Br)cc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001595167812 979724594 /nfs/dbraw/zinc/72/45/94/979724594.db2.gz CNNAROCZDHZBNA-SECBINFHSA-N -1 3 376.247 3.198 20 0 GGADHM CC[C@H](CO)NCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001595177074 979774172 /nfs/dbraw/zinc/77/41/72/979774172.db2.gz MIWJTLAVCHMGGE-SNVBAGLBSA-N -1 3 382.869 3.066 20 0 GGADHM C[C@](Cc1ccccc1)(NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001592891842 979785392 /nfs/dbraw/zinc/78/53/92/979785392.db2.gz OFPJTAXRLXJWCD-HSZRJFAPSA-N -1 3 389.455 3.466 20 0 GGADHM C[C@@H](Cc1cccnc1)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592898538 979807303 /nfs/dbraw/zinc/80/73/03/979807303.db2.gz PFTHAVOXMYWXRK-JTQLQIEISA-N -1 3 382.247 3.246 20 0 GGADHM Cc1cc(C)n2c(CN[C@@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cnc2n1 ZINC000871620965 979960425 /nfs/dbraw/zinc/96/04/25/979960425.db2.gz POECKLSBAYYKRL-OAHLLOKOSA-N -1 3 378.354 3.280 20 0 GGADHM O=C([O-])C1=CC[C@@H](NCc2cc(Br)ccc2Br)C1 ZINC000900040927 980238899 /nfs/dbraw/zinc/23/88/99/980238899.db2.gz JVLQJDHBABKAAX-LLVKDONJSA-N -1 3 375.060 3.475 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1Br)NCc1c(Cl)n[nH]c1C1CC1 ZINC000900040944 980239133 /nfs/dbraw/zinc/23/91/33/980239133.db2.gz GRAVQHZKLVXFGL-CYBMUJFWSA-N -1 3 398.688 3.489 20 0 GGADHM C[C@@H](NC(=O)CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001593026142 980287155 /nfs/dbraw/zinc/28/71/55/980287155.db2.gz RFFQWXZASPQOMV-VFNWGFHPSA-N -1 3 386.879 3.246 20 0 GGADHM O=C([O-])COc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000901442628 980291020 /nfs/dbraw/zinc/29/10/20/980291020.db2.gz QPZGMFBHVWMCND-AWEZNQCLSA-N -1 3 383.370 3.202 20 0 GGADHM CC[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1OCC(=O)NC ZINC001595277499 980306317 /nfs/dbraw/zinc/30/63/17/980306317.db2.gz VYDSMPDUBPXNAW-QFBILLFUSA-N -1 3 390.867 3.331 20 0 GGADHM CC[C@@H](N[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCCO2 ZINC001595277471 980306562 /nfs/dbraw/zinc/30/65/62/980306562.db2.gz VNMKMJSUYPIBJP-XLIONFOSSA-N -1 3 387.432 3.342 20 0 GGADHM COc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc(OC)c1OCC(F)F ZINC000901502143 980321522 /nfs/dbraw/zinc/32/15/22/980321522.db2.gz ZZBMUBIYFPOBCK-ZDUSSCGKSA-N -1 3 385.407 3.034 20 0 GGADHM C/C(=C\c1ccccc1OC(F)F)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524791 980347604 /nfs/dbraw/zinc/34/76/04/980347604.db2.gz GVOMVVXTVRCWGQ-BMQCOBNYSA-N -1 3 392.406 3.318 20 0 GGADHM Cc1c(Br)cncc1CN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000901532091 980360430 /nfs/dbraw/zinc/36/04/30/980360430.db2.gz OPZYMAKPKAZJRC-INIZCTEOSA-N -1 3 377.238 3.003 20 0 GGADHM COc1ccc([C@H]2CCN(Cc3c(C)nn(CCC(=O)[O-])c3C)C2)cc1F ZINC000901544155 980373448 /nfs/dbraw/zinc/37/34/48/980373448.db2.gz SOWUYPXMFYWSQG-INIZCTEOSA-N -1 3 375.444 3.112 20 0 GGADHM CC[C@@](NCCS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595294028 980405952 /nfs/dbraw/zinc/40/59/52/980405952.db2.gz MLOQMFOMLQZGGD-SFHVURJKSA-N -1 3 381.881 3.093 20 0 GGADHM CCN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000901618646 980408501 /nfs/dbraw/zinc/40/85/01/980408501.db2.gz PLWSBAAAMFHCBL-INIZCTEOSA-N -1 3 378.270 3.216 20 0 GGADHM CC[C@@H](NCCn1cc(C(=O)[O-])nn1)c1ccc(Br)cc1Cl ZINC001595298165 980414324 /nfs/dbraw/zinc/41/43/24/980414324.db2.gz BHAMHFXWLYJFOT-GFCCVEGCSA-N -1 3 387.665 3.133 20 0 GGADHM Cc1nn(-c2ccccc2Cl)cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901680303 980443227 /nfs/dbraw/zinc/44/32/27/980443227.db2.gz YEBREJNPTMXTQN-INIZCTEOSA-N -1 3 377.872 3.290 20 0 GGADHM CO[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1Br)Cc1ccccc1 ZINC000901747161 980478058 /nfs/dbraw/zinc/47/80/58/980478058.db2.gz GNYWVAWJJRXRPV-RHSMWYFYSA-N -1 3 378.266 3.422 20 0 GGADHM CO[C@@H]1CCC[C@H]([C@@H](NCc2ncc(Br)cc2Cl)C(=O)[O-])C1 ZINC000901763220 980495988 /nfs/dbraw/zinc/49/59/88/980495988.db2.gz RNUIKUWHFSFHED-DRCTWCGVSA-N -1 3 391.693 3.246 20 0 GGADHM O=C([O-])c1ccc(CNC2CCN(c3ccccn3)CC2)c(Br)c1 ZINC000901781472 980512036 /nfs/dbraw/zinc/51/20/36/980512036.db2.gz MSKVKXPFNPABRZ-UHFFFAOYSA-N -1 3 390.281 3.301 20 0 GGADHM O=C([O-])c1ccc(CNC2CCN(CC(F)(F)F)CC2)c(Br)c1 ZINC000901781964 980512416 /nfs/dbraw/zinc/51/24/16/980512416.db2.gz ZBTRXMMUYDHKAG-UHFFFAOYSA-N -1 3 395.219 3.264 20 0 GGADHM CC[C@@](O)(CCC(F)(F)F)CNCc1oc(Br)cc1C(=O)[O-] ZINC001595327831 980550881 /nfs/dbraw/zinc/55/08/81/980550881.db2.gz XMDKWWFSJXWAQM-GFCCVEGCSA-N -1 3 388.180 3.314 20 0 GGADHM C[C@H]1CN(c2ccccc2CN(C)Cc2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000901833118 980551838 /nfs/dbraw/zinc/55/18/38/980551838.db2.gz TWQFZLIJSOCNNO-KRWDZBQOSA-N -1 3 384.476 3.007 20 0 GGADHM O=C([O-])C[C@@]1(NCc2ccc(-c3ccc(Br)cc3)o2)CCOC1 ZINC000901837659 980556001 /nfs/dbraw/zinc/55/60/01/980556001.db2.gz PHPUESQNABNWFG-KRWDZBQOSA-N -1 3 380.238 3.433 20 0 GGADHM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000901842149 980561753 /nfs/dbraw/zinc/56/17/53/980561753.db2.gz IPSLGAMIMJXPLD-IIBYNOLFSA-N -1 3 394.450 3.459 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])cc1Cl ZINC000901846350 980569520 /nfs/dbraw/zinc/56/95/20/980569520.db2.gz BSXMIKMWJOEFGO-VQIMIIECSA-N -1 3 391.851 3.432 20 0 GGADHM COc1ccc([C@H](NCc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc1Cl ZINC000901848114 980571934 /nfs/dbraw/zinc/57/19/34/980571934.db2.gz LOHGYIZHWQLFEY-KRWDZBQOSA-N -1 3 395.839 3.290 20 0 GGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000902007065 980684938 /nfs/dbraw/zinc/68/49/38/980684938.db2.gz JHBWVUOJZPLQBX-WWGRRREGSA-N -1 3 396.281 3.296 20 0 GGADHM CO[C@H]1CCN(Cc2ccnc3c(Br)cccc23)[C@H](C(=O)[O-])C1 ZINC000902029611 980699535 /nfs/dbraw/zinc/69/95/35/980699535.db2.gz MOGILAQYUAWZDF-WFASDCNBSA-N -1 3 379.254 3.061 20 0 GGADHM CO[C@H]1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C(=O)[O-])C1 ZINC000902035221 980706651 /nfs/dbraw/zinc/70/66/51/980706651.db2.gz SDVXUJRKBJGVJL-DLBZAZTESA-N -1 3 397.397 3.014 20 0 GGADHM CO[C@@H]1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C(=O)[O-])C1 ZINC000902035222 980706816 /nfs/dbraw/zinc/70/68/16/980706816.db2.gz SDVXUJRKBJGVJL-IAGOWNOFSA-N -1 3 397.397 3.014 20 0 GGADHM Cc1cc(CNCc2ccc(CN3CCCC3=O)cc2)cc(C)c1OCC(=O)[O-] ZINC000902106943 980737858 /nfs/dbraw/zinc/73/78/58/980737858.db2.gz JQNYWKYHKYAGHD-UHFFFAOYSA-N -1 3 396.487 3.179 20 0 GGADHM CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902130454 980748968 /nfs/dbraw/zinc/74/89/68/980748968.db2.gz LEUUHWROTVTWLJ-UHFFFAOYSA-N -1 3 389.455 3.457 20 0 GGADHM O=C([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000902145076 980756030 /nfs/dbraw/zinc/75/60/30/980756030.db2.gz OXENJWFVUBQYST-OAHLLOKOSA-N -1 3 378.432 3.193 20 0 GGADHM CC(=O)NCC1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC000902171474 980766983 /nfs/dbraw/zinc/76/69/83/980766983.db2.gz JBKUEYNVKNGQOA-UHFFFAOYSA-N -1 3 396.487 3.312 20 0 GGADHM NC(=O)[C@H](N[C@@H]1CCC[C@H](CCCC(=O)[O-])C1)c1cccc(Br)c1 ZINC000902189611 980775626 /nfs/dbraw/zinc/77/56/26/980775626.db2.gz BYWJGSPRIQZYTG-SRCQZFHVSA-N -1 3 397.313 3.379 20 0 GGADHM NC(=O)[C@H](N[C@H]1CCC[C@H](CCCC(=O)[O-])C1)c1cccc(Br)c1 ZINC000902189609 980775707 /nfs/dbraw/zinc/77/57/07/980775707.db2.gz BYWJGSPRIQZYTG-ISTRZQFTSA-N -1 3 397.313 3.379 20 0 GGADHM CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1c(C)nn(CCC(=O)[O-])c1C ZINC000902268534 980809417 /nfs/dbraw/zinc/80/94/17/980809417.db2.gz LCLMOUAOPMVSTN-YJYMSZOUSA-N -1 3 379.888 3.494 20 0 GGADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902295818 980822375 /nfs/dbraw/zinc/82/23/75/980822375.db2.gz IFWFIQBUWYHVTK-NVXWUHKLSA-N -1 3 377.462 3.090 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000902323222 980831782 /nfs/dbraw/zinc/83/17/82/980831782.db2.gz AMQJRHGUXHVWGP-GFCCVEGCSA-N -1 3 378.416 3.069 20 0 GGADHM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC001595369069 980834171 /nfs/dbraw/zinc/83/41/71/980834171.db2.gz SYHSHNONQWHEDS-OAQYLSRUSA-N -1 3 393.528 3.309 20 0 GGADHM CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NCc1cn(CC(=O)[O-])nn1 ZINC000902460509 980898837 /nfs/dbraw/zinc/89/88/37/980898837.db2.gz XVXHNLIVBDFYGW-OAHLLOKOSA-N -1 3 384.402 3.129 20 0 GGADHM CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NCc1cn(CC(=O)[O-])nn1 ZINC000902460508 980899024 /nfs/dbraw/zinc/89/90/24/980899024.db2.gz XVXHNLIVBDFYGW-HNNXBMFYSA-N -1 3 384.402 3.129 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)[C@H]1SC ZINC000902568682 980937509 /nfs/dbraw/zinc/93/75/09/980937509.db2.gz XKOLGEABGQZRJQ-AHLTXXRQSA-N -1 3 379.400 3.210 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)[C@@H]1SC ZINC000902568683 980937609 /nfs/dbraw/zinc/93/76/09/980937609.db2.gz XKOLGEABGQZRJQ-ASEORRQLSA-N -1 3 379.400 3.210 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)[C@H]1SC ZINC000902568685 980937616 /nfs/dbraw/zinc/93/76/16/980937616.db2.gz XKOLGEABGQZRJQ-IGHBBLSQSA-N -1 3 379.400 3.210 20 0 GGADHM COc1cccc(-c2nc(CN3C[C@@H](C)[C@H](CC(=O)[O-])C3)cs2)c1OC ZINC000903631807 981008766 /nfs/dbraw/zinc/00/87/66/981008766.db2.gz ZROCIDXCDASYME-CHWSQXEVSA-N -1 3 376.478 3.370 20 0 GGADHM COc1ccc(-c2nc(CN3C[C@@H](C)[C@H](CC(=O)[O-])C3)cs2)c(OC)c1 ZINC000903631628 981009051 /nfs/dbraw/zinc/00/90/51/981009051.db2.gz UVRQOHHXSVSPHX-CHWSQXEVSA-N -1 3 376.478 3.370 20 0 GGADHM CC[C@@H]1C[C@H](CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCO1 ZINC001595412080 981009117 /nfs/dbraw/zinc/00/91/17/981009117.db2.gz AKUBNNOXFBOKHK-LZQZEXGQSA-N -1 3 380.916 3.289 20 0 GGADHM COc1cc(CN2CCC3(C2)CCOCC3)c(Br)cc1C(=O)[O-] ZINC000903898594 981027116 /nfs/dbraw/zinc/02/71/16/981027116.db2.gz QQSYUGQVMNBOHR-UHFFFAOYSA-N -1 3 384.270 3.158 20 0 GGADHM CCC1CCC(N(C)CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])CC1 ZINC001595420470 981035606 /nfs/dbraw/zinc/03/56/06/981035606.db2.gz NNPJHYBRXMWTBI-UHFFFAOYSA-N -1 3 396.509 3.380 20 0 GGADHM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccc(Cl)cc3-n3cncn3)C2)s1 ZINC000903925770 981043830 /nfs/dbraw/zinc/04/38/30/981043830.db2.gz WQWOWKWZPRGIOR-GFCCVEGCSA-N -1 3 389.868 3.065 20 0 GGADHM O=C([O-])[C@H]1c2ccccc2OCCN1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000903931921 981053683 /nfs/dbraw/zinc/05/36/83/981053683.db2.gz YWHIYIZWJKGKED-DOTOQJQBSA-N -1 3 381.350 3.259 20 0 GGADHM COc1cc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)ccc1OC(F)F ZINC000903945033 981071042 /nfs/dbraw/zinc/07/10/42/981071042.db2.gz UOEMZOFCBIWSCS-ZNMIVQPWSA-N -1 3 385.407 3.141 20 0 GGADHM Cn1cc([C@H]2CSCCCN2Cc2ccc(C(=O)[O-])c3cccnc23)cn1 ZINC000903946523 981072044 /nfs/dbraw/zinc/07/20/44/981072044.db2.gz JARYFAQFRGFHRY-GOSISDBHSA-N -1 3 382.489 3.347 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CN[C@H](C(=O)[O-])c1ccccc1F)CC(F)F ZINC000903998648 981079591 /nfs/dbraw/zinc/07/95/91/981079591.db2.gz VVWDLGKOFGGLPS-HZMBPMFUSA-N -1 3 376.375 3.090 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CN[C@H](C(=O)[O-])c1ccccc1F)CC(F)F ZINC000903998655 981079610 /nfs/dbraw/zinc/07/96/10/981079610.db2.gz VVWDLGKOFGGLPS-YGRLFVJLSA-N -1 3 376.375 3.090 20 0 GGADHM CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595444069 981085567 /nfs/dbraw/zinc/08/55/67/981085567.db2.gz IGHQDMCWWSXUAE-OLZOCXBDSA-N -1 3 396.509 3.380 20 0 GGADHM O=C([O-])c1cnc([C@H]2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)s1 ZINC000905739115 981132532 /nfs/dbraw/zinc/13/25/32/981132532.db2.gz LRKKJRFPSNFVCQ-HNNXBMFYSA-N -1 3 386.452 3.215 20 0 GGADHM CC[C@H]1CN([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CCN1Cc1ccccc1 ZINC001595484490 981221372 /nfs/dbraw/zinc/22/13/72/981221372.db2.gz QWUPELGTGHXNEL-SFTDATJTSA-N -1 3 396.487 3.195 20 0 GGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CCN1Cc1ccccc1 ZINC001595484489 981221582 /nfs/dbraw/zinc/22/15/82/981221582.db2.gz QWUPELGTGHXNEL-RTWAWAEBSA-N -1 3 396.487 3.195 20 0 GGADHM O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000908065491 981259498 /nfs/dbraw/zinc/25/94/98/981259498.db2.gz RZYSNNRPSSZBCQ-SFHVURJKSA-N -1 3 382.435 3.325 20 0 GGADHM CCCN(C(=O)c1cncc(C(=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000908090461 981260167 /nfs/dbraw/zinc/26/01/67/981260167.db2.gz BGPAEGIHOUWAOX-UHFFFAOYSA-N -1 3 381.476 3.297 20 0 GGADHM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000908379685 981311718 /nfs/dbraw/zinc/31/17/18/981311718.db2.gz YISPEPHHYULPSI-JTDSTZFVSA-N -1 3 398.425 3.201 20 0 GGADHM COc1c(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC000908502295 981319272 /nfs/dbraw/zinc/31/92/72/981319272.db2.gz WGUBEUUKVTXDJT-HNNXBMFYSA-N -1 3 386.423 3.383 20 0 GGADHM CCCC(=O)NC[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529587 981364986 /nfs/dbraw/zinc/36/49/86/981364986.db2.gz ZVVUHQSRHFOPEY-SUMWQHHRSA-N -1 3 386.414 3.459 20 0 GGADHM CCCC(=O)NC[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529586 981365128 /nfs/dbraw/zinc/36/51/28/981365128.db2.gz ZVVUHQSRHFOPEY-GUYCJALGSA-N -1 3 386.414 3.459 20 0 GGADHM Cc1c(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cccc1C(=O)[O-] ZINC000908834803 981371954 /nfs/dbraw/zinc/37/19/54/981371954.db2.gz QHIHXYPGEUGKEW-UHFFFAOYSA-N -1 3 382.460 3.150 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908898656 981385053 /nfs/dbraw/zinc/38/50/53/981385053.db2.gz PKPSSPALHQRBEX-CTNGQTDRSA-N -1 3 396.462 3.076 20 0 GGADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000908899645 981385869 /nfs/dbraw/zinc/38/58/69/981385869.db2.gz WRJGKIRSMFMLFE-SFHVURJKSA-N -1 3 397.475 3.418 20 0 GGADHM O=C([O-])[C@@H](CNC(=O)c1cccc(CN2CCCCC2)c1)Cc1cccc(F)c1 ZINC000909237338 981441038 /nfs/dbraw/zinc/44/10/38/981441038.db2.gz GOSRUFJXBSFSTP-HXUWFJFHSA-N -1 3 398.478 3.485 20 0 GGADHM CCC[C@](C)(NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001595559752 981442311 /nfs/dbraw/zinc/44/23/11/981442311.db2.gz AAIPYFPLAPKGTA-QFIPXVFZSA-N -1 3 398.459 3.415 20 0 GGADHM CCC[C@](C)(NCc1nc(Br)c(Br)n1CC)C(=O)[O-] ZINC001595560102 981445417 /nfs/dbraw/zinc/44/54/17/981445417.db2.gz WBUHLCBFNPIONF-LBPRGKRZSA-N -1 3 397.111 3.161 20 0 GGADHM Cc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000909294620 981462294 /nfs/dbraw/zinc/46/22/94/981462294.db2.gz HNIMOJFVTJOZJS-UHFFFAOYSA-N -1 3 381.476 3.234 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2)CC1 ZINC000909318002 981467493 /nfs/dbraw/zinc/46/74/93/981467493.db2.gz BVDQBERRTHWWDM-UHFFFAOYSA-N -1 3 385.439 3.307 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)Cc2ccccc21 ZINC000909423589 981490826 /nfs/dbraw/zinc/49/08/26/981490826.db2.gz JKMGHOILFGODTG-NRFANRHFSA-N -1 3 378.472 3.497 20 0 GGADHM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000909514318 981521464 /nfs/dbraw/zinc/52/14/64/981521464.db2.gz YMVOIYQAFJBDOR-UHFFFAOYSA-N -1 3 381.476 3.152 20 0 GGADHM C[C@H](Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000909520001 981525950 /nfs/dbraw/zinc/52/59/50/981525950.db2.gz LQBUMMMABWXNGJ-GOSISDBHSA-N -1 3 395.503 3.101 20 0 GGADHM C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000909538281 981536659 /nfs/dbraw/zinc/53/66/59/981536659.db2.gz QOCDDCQQQIIEJA-DHJUGAMNSA-N -1 3 386.536 3.479 20 0 GGADHM COc1cc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)ccc1C(=O)[O-] ZINC000909730813 981583921 /nfs/dbraw/zinc/58/39/21/981583921.db2.gz HCQDGZXIPWMAHH-OAHLLOKOSA-N -1 3 386.423 3.383 20 0 GGADHM CC(C)N1CCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000909805859 981634149 /nfs/dbraw/zinc/63/41/49/981634149.db2.gz KYHFMCSPLCPSGP-INIZCTEOSA-N -1 3 397.313 3.125 20 0 GGADHM C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000909807458 981634715 /nfs/dbraw/zinc/63/47/15/981634715.db2.gz IETNLXIIURIELD-OKILXGFUSA-N -1 3 397.313 3.125 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000909819283 981641104 /nfs/dbraw/zinc/64/11/04/981641104.db2.gz NGFYKKNLDGNDSM-QHCPKHFHSA-N -1 3 396.487 3.411 20 0 GGADHM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000909832174 981649710 /nfs/dbraw/zinc/64/97/10/981649710.db2.gz FKCCBODTPSIEFL-QGZVFWFLSA-N -1 3 381.476 3.026 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc([C@@H](C)C(=O)[O-])cc3)CC2)c1 ZINC000909841384 981662173 /nfs/dbraw/zinc/66/21/73/981662173.db2.gz QRZNFUZJTGUCCX-GOSISDBHSA-N -1 3 395.503 3.334 20 0 GGADHM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000909846061 981670825 /nfs/dbraw/zinc/67/08/25/981670825.db2.gz ZIPSMKJXCZTYJS-IBGZPJMESA-N -1 3 394.556 3.342 20 0 GGADHM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000909846062 981670991 /nfs/dbraw/zinc/67/09/91/981670991.db2.gz ZIPSMKJXCZTYJS-LJQANCHMSA-N -1 3 394.556 3.342 20 0 GGADHM O=C([O-])C12CCC(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)(CC1)CC2 ZINC000909851432 981678015 /nfs/dbraw/zinc/67/80/15/981678015.db2.gz SDKJNRIDOVSONO-BILPFLMXSA-N -1 3 382.504 3.145 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)N(CC)CC ZINC000910038964 981738666 /nfs/dbraw/zinc/73/86/66/981738666.db2.gz GVZAEFZFSLAVBL-ZDUSSCGKSA-N -1 3 376.375 3.385 20 0 GGADHM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000910073178 981753370 /nfs/dbraw/zinc/75/33/70/981753370.db2.gz XVNCQMHYDNGUNT-GOSISDBHSA-N -1 3 396.462 3.321 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000910072071 981753717 /nfs/dbraw/zinc/75/37/17/981753717.db2.gz PSLNQHQNTCPUDV-UHFFFAOYSA-N -1 3 378.428 3.391 20 0 GGADHM CCCC[C@@H](C(=O)Nc1cc(C)on1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595627923 981778517 /nfs/dbraw/zinc/77/85/17/981778517.db2.gz ZWJXROAPBKOTDJ-KURKYZTESA-N -1 3 385.464 3.281 20 0 GGADHM CCCC[C@H](C(=O)Nc1cc(C)on1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595627924 981778837 /nfs/dbraw/zinc/77/88/37/981778837.db2.gz ZWJXROAPBKOTDJ-KZNAEPCWSA-N -1 3 385.464 3.281 20 0 GGADHM O=C([O-])c1c[nH]c2cc(NC(=O)CCN3CCN(c4ccccc4)CC3)ccc12 ZINC000910196985 981780321 /nfs/dbraw/zinc/78/03/21/981780321.db2.gz GSUINYYTBOWPFM-UHFFFAOYSA-N -1 3 392.459 3.017 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000910301423 981857931 /nfs/dbraw/zinc/85/79/31/981857931.db2.gz MBPNSFNXDOJAAM-YSIASYRMSA-N -1 3 379.460 3.120 20 0 GGADHM CCC(C)(C)N1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001594804331 981900889 /nfs/dbraw/zinc/90/08/89/981900889.db2.gz AVJHIFQJZSQAEM-QGZVFWFLSA-N -1 3 375.513 3.354 20 0 GGADHM CCC(C)(C)N1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001594804991 981904232 /nfs/dbraw/zinc/90/42/32/981904232.db2.gz OHZSDUQWKLIIGP-CYBMUJFWSA-N -1 3 381.448 3.016 20 0 GGADHM CCC(C)(C)N1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)CC1 ZINC001594805278 981906903 /nfs/dbraw/zinc/90/69/03/981906903.db2.gz WVQJTIYNJRSAJR-UHFFFAOYSA-N -1 3 399.438 3.367 20 0 GGADHM CCCC[C@H](NCc1nc(Br)c(Br)n1CC)C(=O)[O-] ZINC001595640576 981964065 /nfs/dbraw/zinc/96/40/65/981964065.db2.gz JVXRZBBFCFXNOG-QMMMGPOBSA-N -1 3 397.111 3.161 20 0 GGADHM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000910500133 981966251 /nfs/dbraw/zinc/96/62/51/981966251.db2.gz KFRWNGKUNLHILH-HXUWFJFHSA-N -1 3 396.462 3.321 20 0 GGADHM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567441 981993513 /nfs/dbraw/zinc/99/35/13/981993513.db2.gz LRQWMBOHPZNDRJ-MJGOQNOKSA-N -1 3 376.472 3.187 20 0 GGADHM O=C([O-])[C@H]1CCc2sc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)nc2C1 ZINC000910678812 982054504 /nfs/dbraw/zinc/05/45/04/982054504.db2.gz YQXLCMHBKKLSFL-JKSUJKDBSA-N -1 3 399.516 3.183 20 0 GGADHM O=C([O-])c1cc(NC(=O)[C@H]2CCCN2C2CCCC2)ccc1Br ZINC000910704459 982074793 /nfs/dbraw/zinc/07/47/93/982074793.db2.gz QXZBGRNHXBYUFP-OAHLLOKOSA-N -1 3 381.270 3.493 20 0 GGADHM CCCCCC(=O)NC1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001595665545 982091016 /nfs/dbraw/zinc/09/10/16/982091016.db2.gz POKRPUQQNWJGDO-INIZCTEOSA-N -1 3 376.497 3.199 20 0 GGADHM CC[C@](C)(NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)C(=O)[O-] ZINC001594852434 982094774 /nfs/dbraw/zinc/09/47/74/982094774.db2.gz LNYPTAYKFABHMX-IBGZPJMESA-N -1 3 375.494 3.284 20 0 GGADHM CC[C@H](C)[C@@H](C(=O)OC)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872825 982189337 /nfs/dbraw/zinc/18/93/37/982189337.db2.gz GGNJLWWKIOFLCV-KSYCFECVSA-N -1 3 398.297 3.137 20 0 GGADHM CCCCCC[C@](O)(CN1CCN(c2ccc3ccccc3n2)CC1)C(=O)[O-] ZINC001595696270 982225902 /nfs/dbraw/zinc/22/59/02/982225902.db2.gz DZEVCTGYEVHFBQ-QFIPXVFZSA-N -1 3 385.508 3.143 20 0 GGADHM CCCCCC[C@@](O)(CN1CCC(O)(c2c(F)cccc2F)CC1)C(=O)[O-] ZINC001595696462 982230065 /nfs/dbraw/zinc/23/00/65/982230065.db2.gz JCHWCQUIVFQDQH-HXUWFJFHSA-N -1 3 385.451 3.034 20 0 GGADHM CCCCCC[C@](O)(CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)[O-] ZINC001595696524 982230256 /nfs/dbraw/zinc/23/02/56/982230256.db2.gz ANJGFUSMIXVMNP-YRNRMSPPSA-N -1 3 386.533 3.102 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c(C)c2)CC1 ZINC000911097829 982235433 /nfs/dbraw/zinc/23/54/33/982235433.db2.gz ACEJNCNPSSSXKY-UHFFFAOYSA-N -1 3 381.476 3.016 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C)C(=O)[O-] ZINC000911105331 982239684 /nfs/dbraw/zinc/23/96/84/982239684.db2.gz USRZUKZFIVGBOP-RDJZCZTQSA-N -1 3 386.517 3.155 20 0 GGADHM CCCCCC[C@](O)(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC001595697842 982245254 /nfs/dbraw/zinc/24/52/54/982245254.db2.gz SHTYJGIZCDPRFO-QFIPXVFZSA-N -1 3 387.524 3.072 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC000911131969 982252298 /nfs/dbraw/zinc/25/22/98/982252298.db2.gz DACOTRYREOWTGR-YXBWYFRISA-N -1 3 386.448 3.199 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000911151466 982261113 /nfs/dbraw/zinc/26/11/13/982261113.db2.gz MDQSDHAJSOSKQW-UHFFFAOYSA-N -1 3 395.459 3.056 20 0 GGADHM O=C([O-])c1ccc(Cl)c(C(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000911222392 982291593 /nfs/dbraw/zinc/29/15/93/982291593.db2.gz LNJSLXJYQJRAHP-UHFFFAOYSA-N -1 3 382.913 3.130 20 0 GGADHM CCN1CCC[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000911253401 982317260 /nfs/dbraw/zinc/31/72/60/982317260.db2.gz VOTCBNINCXUDDV-AWEZNQCLSA-N -1 3 388.489 3.484 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000911293560 982329090 /nfs/dbraw/zinc/32/90/90/982329090.db2.gz SBFJTMSYYUMUJF-UONOGXRCSA-N -1 3 385.291 3.139 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911300148 982331563 /nfs/dbraw/zinc/33/15/63/982331563.db2.gz GNLDFUPUDUKCCR-UHFFFAOYSA-N -1 3 382.451 3.280 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000911301054 982332349 /nfs/dbraw/zinc/33/23/49/982332349.db2.gz XQILUSOJFWYRPG-UHFFFAOYSA-N -1 3 390.430 3.186 20 0 GGADHM O=C([O-])c1cccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000911322421 982345398 /nfs/dbraw/zinc/34/53/98/982345398.db2.gz KOEKXHNRXHQLTI-UHFFFAOYSA-N -1 3 384.501 3.157 20 0 GGADHM CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000911322759 982346563 /nfs/dbraw/zinc/34/65/63/982346563.db2.gz FUXRPLGUYNPTAM-MRXNPFEDSA-N -1 3 386.448 3.119 20 0 GGADHM CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000911322757 982346657 /nfs/dbraw/zinc/34/66/57/982346657.db2.gz FUXRPLGUYNPTAM-INIZCTEOSA-N -1 3 386.448 3.119 20 0 GGADHM CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911324083 982348165 /nfs/dbraw/zinc/34/81/65/982348165.db2.gz RUVYKSQMNFJICU-JICACKBISA-N -1 3 398.459 3.210 20 0 GGADHM CC1(C)CN(C2(CNC(=O)CC3(CC(=O)[O-])CCCC3)CCCCC2)CCO1 ZINC000911364616 982381546 /nfs/dbraw/zinc/38/15/46/982381546.db2.gz KOJXJDSJBVALQX-UHFFFAOYSA-N -1 3 394.556 3.342 20 0 GGADHM O=C([O-])c1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)c(F)c1 ZINC000911376879 982393639 /nfs/dbraw/zinc/39/36/39/982393639.db2.gz OWIIQMCBHFCZOO-UHFFFAOYSA-N -1 3 380.485 3.005 20 0 GGADHM CCCN(CCN1CCCC1)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911417107 982423154 /nfs/dbraw/zinc/42/31/54/982423154.db2.gz BJTFWNBSKOHKAC-UHFFFAOYSA-N -1 3 383.286 3.095 20 0 GGADHM CCCCNC(=O)[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756066 982453713 /nfs/dbraw/zinc/45/37/13/982453713.db2.gz QOTLWQNHQSTYMU-CZUORRHYSA-N -1 3 397.313 3.203 20 0 GGADHM CCCCNC(=O)[C@H]1CCCN([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756064 982453788 /nfs/dbraw/zinc/45/37/88/982453788.db2.gz QOTLWQNHQSTYMU-BBRMVZONSA-N -1 3 397.313 3.203 20 0 GGADHM CCCCNC(=O)C1(NCc2cc(C(=O)[O-])c3n2CCCC3)CCCCC1 ZINC001595756231 982455759 /nfs/dbraw/zinc/45/57/59/982455759.db2.gz XDUVMTKZIULWAK-UHFFFAOYSA-N -1 3 375.513 3.231 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc(C)c1OCC(=O)[O-] ZINC000911545950 982489495 /nfs/dbraw/zinc/48/94/95/982489495.db2.gz NSPBAJGYAAJPFZ-JXFKEZNVSA-N -1 3 384.476 3.188 20 0 GGADHM C[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000911547711 982492205 /nfs/dbraw/zinc/49/22/05/982492205.db2.gz YJYRPUYSGUNVFS-SPLOXXLWSA-N -1 3 379.460 3.216 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)c2)CC1 ZINC000911552949 982494060 /nfs/dbraw/zinc/49/40/60/982494060.db2.gz QOJBLPWQQZQAJP-VOTSOKGWSA-N -1 3 383.448 3.160 20 0 GGADHM CCCCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1(C)C ZINC001595770733 982511694 /nfs/dbraw/zinc/51/16/94/982511694.db2.gz MGKWYMBQERRXIS-RBSFLKMASA-N -1 3 380.510 3.125 20 0 GGADHM CCCCCCN(C)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911600290 982535030 /nfs/dbraw/zinc/53/50/30/982535030.db2.gz WNOYUCGZTRHXGH-UHFFFAOYSA-N -1 3 375.513 3.300 20 0 GGADHM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931825 982570387 /nfs/dbraw/zinc/57/03/87/982570387.db2.gz XJKJPCBXHMMULT-IIBYNOLFSA-N -1 3 384.524 3.159 20 0 GGADHM CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931827 982570589 /nfs/dbraw/zinc/57/05/89/982570589.db2.gz XJKJPCBXHMMULT-KKSFZXQISA-N -1 3 384.524 3.159 20 0 GGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000911656096 982585059 /nfs/dbraw/zinc/58/50/59/982585059.db2.gz VSFLRTGCYHMGAI-OAQYLSRUSA-N -1 3 396.487 3.279 20 0 GGADHM CCCN1CCN(c2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])c(OCC)c2)CC1 ZINC000911689720 982602309 /nfs/dbraw/zinc/60/23/09/982602309.db2.gz OWVJIRXZQCINJU-MRXNPFEDSA-N -1 3 391.512 3.057 20 0 GGADHM CCCN1CCN(c2ccc(NC(=O)C[C@H](C)CC(=O)[O-])c(OCC)c2)CC1 ZINC000911689719 982602325 /nfs/dbraw/zinc/60/23/25/982602325.db2.gz OWVJIRXZQCINJU-INIZCTEOSA-N -1 3 391.512 3.057 20 0 GGADHM CC(C)Oc1c(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cccc1C(=O)[O-] ZINC000911737754 982619766 /nfs/dbraw/zinc/61/97/66/982619766.db2.gz JBFTWHCFDKIOSP-KRWDZBQOSA-N -1 3 397.475 3.418 20 0 GGADHM CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000911741677 982623616 /nfs/dbraw/zinc/62/36/16/982623616.db2.gz OCKJDRFHUWCGAX-GOSISDBHSA-N -1 3 396.572 3.132 20 0 GGADHM CCCN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595823005 982696412 /nfs/dbraw/zinc/69/64/12/982696412.db2.gz UUQMTMALVXDVFD-VQTJNVASSA-N -1 3 385.508 3.246 20 0 GGADHM CCCN(C)[C@H](CNC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595836717 982744317 /nfs/dbraw/zinc/74/43/17/982744317.db2.gz KSSODJRROCZOHD-MRXNPFEDSA-N -1 3 378.856 3.373 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001595837040 982745448 /nfs/dbraw/zinc/74/54/48/982745448.db2.gz RIDWGXPSDMBMNU-KRWDZBQOSA-N -1 3 375.856 3.246 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595837096 982746379 /nfs/dbraw/zinc/74/63/79/982746379.db2.gz UQJWPYMXIDCFIG-DLBZAZTESA-N -1 3 381.904 3.372 20 0 GGADHM CCCN(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001595837061 982746901 /nfs/dbraw/zinc/74/69/01/982746901.db2.gz SIKQDAFZZQDFFF-QGZVFWFLSA-N -1 3 375.856 3.246 20 0 GGADHM CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001595846507 982773892 /nfs/dbraw/zinc/77/38/92/982773892.db2.gz UUASBBTWUDWJMF-AOIWGVFYSA-N -1 3 382.545 3.052 20 0 GGADHM CC[C@H](C)NC(=O)c1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001594991430 982854419 /nfs/dbraw/zinc/85/44/19/982854419.db2.gz HKUTVEUVHAFWDP-HNNXBMFYSA-N -1 3 383.492 3.341 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccco1 ZINC001594994518 982876844 /nfs/dbraw/zinc/87/68/44/982876844.db2.gz NIVYLOCKAUFXHL-KBXCAEBGSA-N -1 3 385.464 3.175 20 0 GGADHM CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001595006629 982924245 /nfs/dbraw/zinc/92/42/45/982924245.db2.gz YTVKTDZUQBMZGV-HUUCEWRRSA-N -1 3 379.526 3.366 20 0 GGADHM CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001596118355 983452539 /nfs/dbraw/zinc/45/25/39/983452539.db2.gz VOBAWLXZGACWQY-AWEZNQCLSA-N -1 3 392.525 3.253 20 0 GGADHM CCN(C(=O)CN[C@](C)(CC(=O)[O-])c1cccc(OC)c1)C1CCCCC1 ZINC001596142992 983495644 /nfs/dbraw/zinc/49/56/44/983495644.db2.gz JFNHEFJDZGMSEN-OAQYLSRUSA-N -1 3 376.497 3.156 20 0 GGADHM CCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@@H]1CCN(C)C1 ZINC001596150782 983510826 /nfs/dbraw/zinc/51/08/26/983510826.db2.gz OMJMGVSASOMOBB-LLVKDONJSA-N -1 3 384.274 3.014 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001596236456 983631121 /nfs/dbraw/zinc/63/11/21/983631121.db2.gz WTIYHWRUAYFNGF-CYBMUJFWSA-N -1 3 390.377 3.147 20 0 GGADHM CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001596237216 983634513 /nfs/dbraw/zinc/63/45/13/983634513.db2.gz JYZJGCFGCOGWTI-IBGZPJMESA-N -1 3 385.508 3.406 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc(OC)c1 ZINC001596254206 983661539 /nfs/dbraw/zinc/66/15/39/983661539.db2.gz DVEBLWZLNHVUHK-HHXXYDBFSA-N -1 3 391.512 3.021 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc(OC)c1 ZINC001596254205 983661714 /nfs/dbraw/zinc/66/17/14/983661714.db2.gz DVEBLWZLNHVUHK-AYBZRNKSSA-N -1 3 391.512 3.021 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC001596254539 983663707 /nfs/dbraw/zinc/66/37/07/983663707.db2.gz SCKNHFQIIZTYAN-SFHVURJKSA-N -1 3 389.521 3.371 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccsc1 ZINC001596254682 983664593 /nfs/dbraw/zinc/66/45/93/983664593.db2.gz XKAIWGNRSIKLRK-INIZCTEOSA-N -1 3 381.542 3.465 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccsc1 ZINC001596254688 983664661 /nfs/dbraw/zinc/66/46/61/983664661.db2.gz XNQYALSHYKPWQR-WCQYABFASA-N -1 3 396.538 3.346 20 0 GGADHM CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001596276955 983696855 /nfs/dbraw/zinc/69/68/55/983696855.db2.gz QIHJFURVDDDNJW-UHFFFAOYSA-N -1 3 392.477 3.036 20 0 GGADHM CCN1CC[C@H](NCc2cccc(C(=O)[O-])n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596410741 984003201 /nfs/dbraw/zinc/00/32/01/984003201.db2.gz SEHMWZMQOKFOQY-YJBOKZPZSA-N -1 3 379.382 3.122 20 0 GGADHM CCN1CC[C@@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410929 984004677 /nfs/dbraw/zinc/00/46/77/984004677.db2.gz WTQLFAYFMLHEHK-SJLPKXTDSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CC[C@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410928 984004899 /nfs/dbraw/zinc/00/48/99/984004899.db2.gz WTQLFAYFMLHEHK-FUHWJXTLSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CCCC[C@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001596421660 984058416 /nfs/dbraw/zinc/05/84/16/984058416.db2.gz NVENUWNZCBYQLD-FQEVSTJZSA-N -1 3 383.492 3.447 20 0 GGADHM CCN1CCCC[C@@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001596421661 984058525 /nfs/dbraw/zinc/05/85/25/984058525.db2.gz NVENUWNZCBYQLD-HXUWFJFHSA-N -1 3 383.492 3.447 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2)CC1 ZINC001596441824 984130135 /nfs/dbraw/zinc/13/01/35/984130135.db2.gz BOGJKFMVFBTUAQ-UHFFFAOYSA-N -1 3 394.475 3.074 20 0 GGADHM CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C(=O)[O-])o2)CC1 ZINC001596441808 984130276 /nfs/dbraw/zinc/13/02/76/984130276.db2.gz APVWYJLYHAXOLQ-CQSZACIVSA-N -1 3 375.444 3.110 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)NCCCCCCC(=O)[O-])c(C)c2)CC1 ZINC001596441998 984132368 /nfs/dbraw/zinc/13/23/68/984132368.db2.gz HCBPIZOLWSBLMW-UHFFFAOYSA-N -1 3 390.528 3.294 20 0 GGADHM CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC001596551151 984411984 /nfs/dbraw/zinc/41/19/84/984411984.db2.gz FLJCJDUSWIGCBR-PBHICJAKSA-N -1 3 384.270 3.359 20 0 GGADHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617217 984587890 /nfs/dbraw/zinc/58/78/90/984587890.db2.gz MMQLNUDYWWZQHU-ZBFHGGJFSA-N -1 3 387.432 3.187 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001599891468 984699376 /nfs/dbraw/zinc/69/93/76/984699376.db2.gz QCGUIGLAGOREGM-CYBMUJFWSA-N -1 3 390.509 3.147 20 0 GGADHM C/C(=C/CN1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959408 984723916 /nfs/dbraw/zinc/72/39/16/984723916.db2.gz YJQSTHRIQKMILQ-CGGDQNISSA-N -1 3 380.407 3.042 20 0 GGADHM CCOC(=O)c1ccc(-c2ccc(CN[C@]3(CC(=O)[O-])CCCOC3)o2)cc1 ZINC001596713289 984933239 /nfs/dbraw/zinc/93/32/39/984933239.db2.gz GZYHVQIWUPZXLT-NRFANRHFSA-N -1 3 387.432 3.237 20 0 GGADHM C[C@H]1CC[C@@](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)(C(=O)[O-])CC1 ZINC001599908359 984952245 /nfs/dbraw/zinc/95/22/45/984952245.db2.gz VVKUGGNUNIHLKZ-WRWLIDTKSA-N -1 3 394.462 3.294 20 0 GGADHM CCOC(=O)c1cnn(C2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c1C ZINC001596743131 985055897 /nfs/dbraw/zinc/05/58/97/985055897.db2.gz FQGGZOKKICJJLV-ZDUSSCGKSA-N -1 3 375.425 3.058 20 0 GGADHM CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001596754897 985119394 /nfs/dbraw/zinc/11/93/94/985119394.db2.gz XUGIQEWBCDKTEL-QGZVFWFLSA-N -1 3 399.491 3.420 20 0 GGADHM CCOC(=O)c1sc([C@H]2CCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756581 985135774 /nfs/dbraw/zinc/13/57/74/985135774.db2.gz WICLGASOCDPZLQ-NEPJUHHUSA-N -1 3 378.450 3.470 20 0 GGADHM CCOC(=O)c1sc(C2CCN([C@@H](C(=O)[O-])c3cccnc3)CC2)nc1C ZINC001596756676 985137358 /nfs/dbraw/zinc/13/73/58/985137358.db2.gz XZPABDLAYNHVRU-OAHLLOKOSA-N -1 3 389.477 3.029 20 0 GGADHM CCO[C@@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCCC2 ZINC001596833886 985471672 /nfs/dbraw/zinc/47/16/72/985471672.db2.gz RNGKICJYKOFISV-ZIAGYGMSSA-N -1 3 380.510 3.329 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)[C@@H]1n1cccn1 ZINC001596834234 985476523 /nfs/dbraw/zinc/47/65/23/985476523.db2.gz WTOHNJNGLYJJRY-JJXSEGSLSA-N -1 3 383.370 3.036 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)[C@H]1n1cccn1 ZINC001596834236 985476645 /nfs/dbraw/zinc/47/66/45/985476645.db2.gz WTOHNJNGLYJJRY-ZJIFWQFVSA-N -1 3 383.370 3.036 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])c3n2CCCC3)[C@@H]1Oc1ccccc1 ZINC001596836468 985483238 /nfs/dbraw/zinc/48/32/38/985483238.db2.gz CYPJATHEDHDTIF-TYPHKJRUSA-N -1 3 384.476 3.237 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2ccccc2O[C@@H](C)C(=O)[O-])[C@@H]1Oc1ccccc1 ZINC001596837000 985488977 /nfs/dbraw/zinc/48/89/77/985488977.db2.gz HKCKBJPBFIEHMW-MEGFKASBSA-N -1 3 385.460 3.253 20 0 GGADHM CCO[C@H]1C[C@@](NCc2nc3cc(Br)ccc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838499 985507154 /nfs/dbraw/zinc/50/71/54/985507154.db2.gz SRGGSISYZZKDOT-SUMWQHHRSA-N -1 3 396.285 3.073 20 0 GGADHM CCO[C@@H]1C[C@@](NCc2cc(Br)cc(F)c2F)(C(=O)[O-])C1(C)C ZINC001596838771 985510284 /nfs/dbraw/zinc/51/02/84/985510284.db2.gz PGFUWRLZVYUTKY-MLGOLLRUSA-N -1 3 392.240 3.475 20 0 GGADHM CCO[C@@H]1C[C@](NCc2cc(Br)cc(F)c2F)(C(=O)[O-])C1(C)C ZINC001596838772 985510819 /nfs/dbraw/zinc/51/08/19/985510819.db2.gz PGFUWRLZVYUTKY-WBMJQRKESA-N -1 3 392.240 3.475 20 0 GGADHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166508 985514366 /nfs/dbraw/zinc/51/43/66/985514366.db2.gz JTIOZTBDAVOGBW-SJKOYZFVSA-N -1 3 376.844 3.027 20 0 GGADHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166506 985514494 /nfs/dbraw/zinc/51/44/94/985514494.db2.gz JTIOZTBDAVOGBW-SJCJKPOMSA-N -1 3 376.844 3.027 20 0 GGADHM CC(=O)Nc1cc(Br)ccc1CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589166551 985515315 /nfs/dbraw/zinc/51/53/15/985515315.db2.gz KMBVQZVKWDMYOJ-GUYCJALGSA-N -1 3 381.270 3.094 20 0 GGADHM Cc1[nH]c(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599951340 985612159 /nfs/dbraw/zinc/61/21/59/985612159.db2.gz RAOHAGBPRMAXMW-UHFFFAOYSA-N -1 3 377.872 3.187 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001589210393 985693225 /nfs/dbraw/zinc/69/32/25/985693225.db2.gz KOFPKEGPMNBOFV-LJQANCHMSA-N -1 3 383.448 3.025 20 0 GGADHM CC(=O)OC1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC001589225505 985755970 /nfs/dbraw/zinc/75/59/70/985755970.db2.gz YNWRUCKYNFCKOH-UHFFFAOYSA-N -1 3 383.444 3.491 20 0 GGADHM Cc1[nH]c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)cc1C(=O)[O-] ZINC001599961838 985796973 /nfs/dbraw/zinc/79/69/73/985796973.db2.gz JQJJJPCVSGZDLP-IPYPFGDCSA-N -1 3 379.501 3.393 20 0 GGADHM CCOC[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C(C)C ZINC001596888846 985798760 /nfs/dbraw/zinc/79/87/60/985798760.db2.gz AOOFZEIEPGTBOE-JSGCOSHPSA-N -1 3 382.526 3.160 20 0 GGADHM CCOC[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C(C)C ZINC001596890358 985809792 /nfs/dbraw/zinc/80/97/92/985809792.db2.gz ZKRPMKDHAVEXOH-CYBMUJFWSA-N -1 3 377.268 3.281 20 0 GGADHM Cc1[nH]c(CN2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C(=O)[O-] ZINC001599964325 985866548 /nfs/dbraw/zinc/86/65/48/985866548.db2.gz XYIDSQJEFDFJFC-INIZCTEOSA-N -1 3 391.512 3.490 20 0 GGADHM CCOCCCN(Cc1c(C(F)(F)F)nc2n1CCCC2)C[C@H](C)C(=O)[O-] ZINC001596914670 985931076 /nfs/dbraw/zinc/93/10/76/985931076.db2.gz FKYAHDWXACVLKW-ZDUSSCGKSA-N -1 3 391.434 3.188 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cccc(Br)c1Cl ZINC001594524688 986023734 /nfs/dbraw/zinc/02/37/34/986023734.db2.gz CDPOSKBOOQFHFE-LLVKDONJSA-N -1 3 375.694 3.083 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001594532164 986130409 /nfs/dbraw/zinc/13/04/09/986130409.db2.gz VACDINYAYDKJTB-OZERPLIVSA-N -1 3 389.492 3.463 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542253 986180785 /nfs/dbraw/zinc/18/07/85/986180785.db2.gz IBHCWZXCFMRAKI-OXQOHEQNSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542252 986180896 /nfs/dbraw/zinc/18/08/96/986180896.db2.gz IBHCWZXCFMRAKI-OXJNMPFZSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542713 986188470 /nfs/dbraw/zinc/18/84/70/986188470.db2.gz RYYBGXCFXJWEGY-OXQOHEQNSA-N -1 3 381.476 3.047 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543205 986194756 /nfs/dbraw/zinc/19/47/56/986194756.db2.gz ZJBGEWUTUIHQHN-DNVCBOLYSA-N -1 3 396.491 3.093 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001594544495 986199258 /nfs/dbraw/zinc/19/92/58/986199258.db2.gz IHWBKMVDXBLUDR-HNNXBMFYSA-N -1 3 387.505 3.110 20 0 GGADHM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)N1CCC(Cc2ccccc2)CC1 ZINC001589339790 986238878 /nfs/dbraw/zinc/23/88/78/986238878.db2.gz ILOCRZAHLHKZBR-KRWDZBQOSA-N -1 3 395.503 3.081 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001589350458 986308802 /nfs/dbraw/zinc/30/88/02/986308802.db2.gz QSFNTRCJIKOTIU-OAHLLOKOSA-N -1 3 383.492 3.059 20 0 GGADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC001597014458 986361860 /nfs/dbraw/zinc/36/18/60/986361860.db2.gz GCBCOVFELJOBBI-UHFFFAOYSA-N -1 3 399.491 3.422 20 0 GGADHM C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc(C(=O)[O-])cs1 ZINC001594578398 986431597 /nfs/dbraw/zinc/43/15/97/986431597.db2.gz YQSPCCCLMBUJGT-MGPQQGTHSA-N -1 3 375.494 3.306 20 0 GGADHM CCOc1cc(CN2CC[C@H](O)C2(C)C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031562 986448804 /nfs/dbraw/zinc/44/88/04/986448804.db2.gz LMKZQQRRYBBECX-IBGZPJMESA-N -1 3 389.448 3.301 20 0 GGADHM CCOc1cc(CNCc2ccc(CC(=O)[O-])cc2)cc(Br)c1O ZINC001597035595 986472105 /nfs/dbraw/zinc/47/21/05/986472105.db2.gz KUXJTTMLFOSSGB-UHFFFAOYSA-N -1 3 394.265 3.470 20 0 GGADHM CCOc1ccc(-c2nc(CN[C@H](C(=O)[O-])[C@H]3CCC[C@H](OC)C3)co2)cc1 ZINC001597049208 986518168 /nfs/dbraw/zinc/51/81/68/986518168.db2.gz FNVPNFDTTJDIQZ-SNRMKQJTSA-N -1 3 388.464 3.488 20 0 GGADHM C[C@@H]1COCCN1C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607220 986575367 /nfs/dbraw/zinc/57/53/67/986575367.db2.gz NPTVOTVCDHLCGV-PXAZEXFGSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@H]1COCCN1C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607779 986586319 /nfs/dbraw/zinc/58/63/19/986586319.db2.gz ZXYUZORUJQKOIQ-YVEFUNNKSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@@H](C(=O)NCc1ccccc1CC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC001589415453 986645807 /nfs/dbraw/zinc/64/58/07/986645807.db2.gz MTQIEWXRQWFBST-SFHVURJKSA-N -1 3 394.515 3.273 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589438109 986760677 /nfs/dbraw/zinc/76/06/77/986760677.db2.gz KCACZVIGAODPOB-NEPJUHHUSA-N -1 3 398.406 3.158 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589438112 986761461 /nfs/dbraw/zinc/76/14/61/986761461.db2.gz KCACZVIGAODPOB-RYUDHWBXSA-N -1 3 398.406 3.158 20 0 GGADHM C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589445795 986816287 /nfs/dbraw/zinc/81/62/87/986816287.db2.gz WVEIGCJYZAKYCG-MWTRTKDXSA-N -1 3 389.455 3.290 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001597173029 987012110 /nfs/dbraw/zinc/01/21/10/987012110.db2.gz MBVQRMYSSLNIIG-MPGHIAIKSA-N -1 3 376.497 3.226 20 0 GGADHM CCOc1cncc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC001597189499 987066525 /nfs/dbraw/zinc/06/65/25/987066525.db2.gz MKDCLAAHPDFCLZ-QGZVFWFLSA-N -1 3 379.254 3.332 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(C)cc1)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001594735914 987272235 /nfs/dbraw/zinc/27/22/35/987272235.db2.gz QTWNPMPSHKYTRH-ZCNNSNEGSA-N -1 3 382.460 3.218 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC001589601143 987424598 /nfs/dbraw/zinc/42/45/98/987424598.db2.gz GCRUYPGGBLVAJC-QGZVFWFLSA-N -1 3 379.453 3.041 20 0 GGADHM CC[C@H](N[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-])c1ccccc1 ZINC001597349529 987485947 /nfs/dbraw/zinc/48/59/47/987485947.db2.gz NJADUCRKTDLONP-DYVFJYSZSA-N -1 3 384.432 3.239 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC001589622571 987505000 /nfs/dbraw/zinc/50/50/00/987505000.db2.gz FIVWGYNBYSCWDN-UHFFFAOYSA-N -1 3 396.487 3.130 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC001589622743 987506576 /nfs/dbraw/zinc/50/65/76/987506576.db2.gz JFODCZRIHYVCOW-IBGZPJMESA-N -1 3 387.524 3.498 20 0 GGADHM CCc1[nH]c(C(=O)N(CCCc2ccccc2)CCN(C)C)c(C)c1C(=O)[O-] ZINC001597357711 987509180 /nfs/dbraw/zinc/50/91/80/987509180.db2.gz HOTFDXWXUDPWCI-UHFFFAOYSA-N -1 3 385.508 3.220 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001589623672 987516219 /nfs/dbraw/zinc/51/62/19/987516219.db2.gz OYDAYMMIXLJBCY-UHFFFAOYSA-N -1 3 391.487 3.042 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001589627904 987525697 /nfs/dbraw/zinc/52/56/97/987525697.db2.gz ULEXYZWLIOTMLM-UHFFFAOYSA-N -1 3 393.793 3.372 20 0 GGADHM CCc1[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001597363895 987531402 /nfs/dbraw/zinc/53/14/02/987531402.db2.gz MICZVYCOYMQYNW-OAHLLOKOSA-N -1 3 377.872 3.270 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(Cc2oc3ccccc3c2Br)CC1 ZINC001589631333 987538084 /nfs/dbraw/zinc/53/80/84/987538084.db2.gz LBQYSRZYQCMZCD-UHFFFAOYSA-N -1 3 381.270 3.176 20 0 GGADHM CCc1[nH]c(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597385031 987593375 /nfs/dbraw/zinc/59/33/75/987593375.db2.gz PQHWUNROBHHRQH-AWEZNQCLSA-N -1 3 379.501 3.402 20 0 GGADHM CCc1cc2oc(=O)cc(CN3C[C@@H](OC)C[C@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489576 988011916 /nfs/dbraw/zinc/01/19/16/988011916.db2.gz LXUUJLSXYIYYIU-ORAYPTAESA-N -1 3 379.840 3.073 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)N(C)C)cc1 ZINC001597512707 988101320 /nfs/dbraw/zinc/10/13/20/988101320.db2.gz DKAHXLWGPIXEMJ-NRFANRHFSA-N -1 3 395.503 3.318 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2OC)N(C)C)cc1 ZINC001597513021 988103760 /nfs/dbraw/zinc/10/37/60/988103760.db2.gz ITWNGIMJRZWGLE-GOSISDBHSA-N -1 3 385.464 3.380 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)N(C)C)cc1 ZINC001597513008 988104058 /nfs/dbraw/zinc/10/40/58/988104058.db2.gz ILEODDXHNKLMQB-GOSISDBHSA-N -1 3 385.464 3.380 20 0 GGADHM CCc1ccc([C@H](CNC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)N(C)C)cc1 ZINC001597513395 988110182 /nfs/dbraw/zinc/11/01/82/988110182.db2.gz SVADVVXCUXQJHA-IBGZPJMESA-N -1 3 399.491 3.058 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC001589806123 988227480 /nfs/dbraw/zinc/22/74/80/988227480.db2.gz LQMMCYVCUICFHK-NRFANRHFSA-N -1 3 388.439 3.454 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806787 988234218 /nfs/dbraw/zinc/23/42/18/988234218.db2.gz UOWQXSYGYNQPBL-IIBYNOLFSA-N -1 3 376.472 3.133 20 0 GGADHM CCc1ccc(NC(=O)[C@H](C)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001597543265 988240300 /nfs/dbraw/zinc/24/03/00/988240300.db2.gz YYPNYNOYKXVOBK-PNHOKKKMSA-N -1 3 382.460 3.082 20 0 GGADHM CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001589816557 988261729 /nfs/dbraw/zinc/26/17/29/988261729.db2.gz YFRLRPRLLXPSMU-SNVBAGLBSA-N -1 3 384.274 3.142 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)NCc2cc(C)c(C(=O)[O-])o2)N(C)C)cc1 ZINC001599811632 988346021 /nfs/dbraw/zinc/34/60/21/988346021.db2.gz IKSMHZGLOUUNDJ-MRXNPFEDSA-N -1 3 391.493 3.110 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)c2ccsc2CC(=O)[O-])N(C)C)cc1 ZINC001599811987 988353129 /nfs/dbraw/zinc/35/31/29/988353129.db2.gz NNTDXXKBZNOGNB-OAHLLOKOSA-N -1 3 378.519 3.130 20 0 GGADHM CSc1ccc([C@H](CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)N(C)C)cc1 ZINC001599812416 988359559 /nfs/dbraw/zinc/35/95/59/988359559.db2.gz WEROIHGLJDZMBC-HNNXBMFYSA-N -1 3 375.494 3.084 20 0 GGADHM CSc1ccc([C@H](CNC(=O)c2cc(F)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC001599812362 988359888 /nfs/dbraw/zinc/35/98/88/988359888.db2.gz VGXGGKRTTOMFCD-KRWDZBQOSA-N -1 3 376.453 3.279 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN([C@@H]2C[C@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867183 988482967 /nfs/dbraw/zinc/48/29/67/988482967.db2.gz UHKDEWRXFKKNHS-BUPYXQNNSA-N -1 3 389.467 3.436 20 0 GGADHM CSc1cccc(N(C(=O)c2ccc(C(=O)[O-])n2C)C2CCN(C)CC2)c1 ZINC001599821789 988526743 /nfs/dbraw/zinc/52/67/43/988526743.db2.gz IQBUPMLLMKBAPI-UHFFFAOYSA-N -1 3 387.505 3.186 20 0 GGADHM CSc1cccc(N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2CCN(C)CC2)c1 ZINC001599822607 988540683 /nfs/dbraw/zinc/54/06/83/988540683.db2.gz UXQAPWVEVKDHCQ-LSDHHAIUSA-N -1 3 376.522 3.337 20 0 GGADHM CSc1ccccc1OC[C@H](O)CN(Cc1ccc(C(=O)[O-])n1C)C(C)C ZINC001599825093 988584774 /nfs/dbraw/zinc/58/47/74/988584774.db2.gz HGUNFDAXDGGASH-MRXNPFEDSA-N -1 3 392.521 3.096 20 0 GGADHM CSc1ccccc1OC[C@@H](O)CN(Cc1ccc(C(=O)[O-])o1)C(C)C ZINC001599825102 988585834 /nfs/dbraw/zinc/58/58/34/988585834.db2.gz HMFJOBRMTQVKSF-AWEZNQCLSA-N -1 3 379.478 3.350 20 0 GGADHM CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001589929492 988685949 /nfs/dbraw/zinc/68/59/49/988685949.db2.gz CYHHFMOCNGRAIB-HOCLYGCPSA-N -1 3 396.434 3.315 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cc(C(=O)[O-])co3)CC2)C1 ZINC001589971666 988798927 /nfs/dbraw/zinc/79/89/27/988798927.db2.gz AXTXTQYHBNRZBO-HNNXBMFYSA-N -1 3 378.469 3.447 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)C1 ZINC001589972154 988810375 /nfs/dbraw/zinc/81/03/75/988810375.db2.gz UTVWMDZQURGCIM-HNNXBMFYSA-N -1 3 377.485 3.182 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2OCC(=O)[O-])C12CCC2 ZINC001589981309 988851628 /nfs/dbraw/zinc/85/16/28/988851628.db2.gz CTSHIKQDBUTZOH-QGZVFWFLSA-N -1 3 390.480 3.172 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001589995212 988914937 /nfs/dbraw/zinc/91/49/37/988914937.db2.gz QZLGFOKTJAUZLW-MOEXGYKKSA-N -1 3 376.453 3.257 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCc2ccccc2OCC(=O)[O-])CC1 ZINC001589995316 988915839 /nfs/dbraw/zinc/91/58/39/988915839.db2.gz SFCQETBAAWLSMZ-QGZVFWFLSA-N -1 3 390.480 3.029 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1ccc(C(=O)[O-])cn1)CC2 ZINC001590005156 988949503 /nfs/dbraw/zinc/94/95/03/988949503.db2.gz VAQQUYHANWWOLC-UHFFFAOYSA-N -1 3 375.469 3.003 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005283 988951474 /nfs/dbraw/zinc/95/14/74/988951474.db2.gz PJSSWAFXZXPMBA-NVXWUHKLSA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013701 988977332 /nfs/dbraw/zinc/97/73/32/988977332.db2.gz WRMQEXLDUPANBL-YOEHRIQHSA-N -1 3 393.484 3.374 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C[C@H]2CC3(CO2)CCCCC3)[C@@H](C(=O)[O-])C1 ZINC001590034976 989054587 /nfs/dbraw/zinc/05/45/87/989054587.db2.gz NWZPPCJECAMSGT-IAGOWNOFSA-N -1 3 396.528 3.122 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590042003 989070313 /nfs/dbraw/zinc/07/03/13/989070313.db2.gz DAXATGDEEPXMOY-CHWSQXEVSA-N -1 3 381.498 3.030 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@]2(NCc3ccc(/C=C/C(=O)[O-])o3)CCC[C@@H]12 ZINC001590074591 989165129 /nfs/dbraw/zinc/16/51/29/989165129.db2.gz NPIJDSIEFVVGBH-QBWPFYJZSA-N -1 3 376.453 3.399 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762911 989200659 /nfs/dbraw/zinc/20/06/59/989200659.db2.gz MSZKDZFRZRBGGX-XOBRGWDASA-N -1 3 378.469 3.419 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762909 989201461 /nfs/dbraw/zinc/20/14/61/989201461.db2.gz MSZKDZFRZRBGGX-VBKZILBWSA-N -1 3 378.469 3.419 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3c(Cl)cccc3C(=O)[O-])C[C@H]2C1 ZINC001590091288 989205733 /nfs/dbraw/zinc/20/57/33/989205733.db2.gz HDCWUANDUZDXLD-BETUJISGSA-N -1 3 380.872 3.337 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001597766136 989208242 /nfs/dbraw/zinc/20/82/42/989208242.db2.gz DQFCLBKYPZPUMF-QUCCMNQESA-N -1 3 384.476 3.016 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001597766133 989209025 /nfs/dbraw/zinc/20/90/25/989209025.db2.gz DQFCLBKYPZPUMF-AZUAARDMSA-N -1 3 384.476 3.016 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599864671 989226112 /nfs/dbraw/zinc/22/61/12/989226112.db2.gz CULBENQVTRZDTG-SJKOYZFVSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599864863 989229972 /nfs/dbraw/zinc/22/99/72/989229972.db2.gz MXNXTNSEBIAILO-SJKOYZFVSA-N -1 3 387.307 3.304 20 0 GGADHM CC(C)(C)OC(=O)N1[C@H](CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)COC1(C)C ZINC001590105721 989258474 /nfs/dbraw/zinc/25/84/74/989258474.db2.gz MLKUBELSMFHBFB-WBVHZDCISA-N -1 3 390.480 3.042 20 0 GGADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001599866293 989266577 /nfs/dbraw/zinc/26/65/77/989266577.db2.gz YRXNMPQEHWWXQN-HUUCEWRRSA-N -1 3 391.512 3.115 20 0 GGADHM CCc1oc(CNC[C@H](CO)Cc2ccccc2Br)cc1C(=O)[O-] ZINC001597801356 989392568 /nfs/dbraw/zinc/39/25/68/989392568.db2.gz APBIBBHCAIZAHS-GFCCVEGCSA-N -1 3 396.281 3.244 20 0 GGADHM CCc1oc(CNC[C@@H](CO)Cc2ccc(Br)cc2)cc1C(=O)[O-] ZINC001597801422 989394682 /nfs/dbraw/zinc/39/46/82/989394682.db2.gz DLBNQPYLUOSUBH-ZDUSSCGKSA-N -1 3 396.281 3.244 20 0 GGADHM CCc1oc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1C(=O)[O-] ZINC001597801705 989395928 /nfs/dbraw/zinc/39/59/28/989395928.db2.gz HMHUJNGZOBMOKY-SFHVURJKSA-N -1 3 392.883 3.357 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C(=O)[O-])cc1F)C2 ZINC001590138909 989396951 /nfs/dbraw/zinc/39/69/51/989396951.db2.gz ITNNABVJMZVAPS-MAZHCROVSA-N -1 3 378.444 3.402 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2ccc(/C=C\C(=O)[O-])o2)C12CCC2 ZINC001590139608 989402174 /nfs/dbraw/zinc/40/21/74/989402174.db2.gz NSKANYMUCFDCOI-ZJBFNYKTSA-N -1 3 376.453 3.303 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC001590154277 989459868 /nfs/dbraw/zinc/45/98/68/989459868.db2.gz MMUAWUJEYFVGHZ-KRWDZBQOSA-N -1 3 377.485 3.343 20 0 GGADHM CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2CCOc1ccccc1C(=O)[O-] ZINC001590169992 989493899 /nfs/dbraw/zinc/49/38/99/989493899.db2.gz OMCJWURPTAYCFO-YCRPNKLZSA-N -1 3 390.480 3.143 20 0 GGADHM CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@@H](C(=O)[O-])c1ccccc1F ZINC001590169928 989494373 /nfs/dbraw/zinc/49/43/73/989494373.db2.gz NZKDPDAUMBDMGJ-WGAFOPHPSA-N -1 3 378.444 3.473 20 0 GGADHM CC(C)(C)OC(=O)NC[C@]12CN(Cc3ccc(C(=O)[O-])cn3)C[C@@H]1CCCC2 ZINC001590170974 989497531 /nfs/dbraw/zinc/49/75/31/989497531.db2.gz UPFIXPUDPBQLJK-HRAATJIYSA-N -1 3 389.496 3.297 20 0 GGADHM CCn1c(CNC(C)(C)CCC(=O)[O-])nc(Br)c1Br ZINC001597854203 989606816 /nfs/dbraw/zinc/60/68/16/989606816.db2.gz ZDBVPGCQZCUPKP-UHFFFAOYSA-N -1 3 397.111 3.161 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN([C@@H](C(=O)[O-])c2cccnc2)C[C@H]1c1ccccc1 ZINC001590267326 989661833 /nfs/dbraw/zinc/66/18/33/989661833.db2.gz AOYVNAZURYJUSY-IPMKNSEASA-N -1 3 397.475 3.200 20 0 GGADHM CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc(F)cc2C(=O)[O-])cn1 ZINC001597883054 989717427 /nfs/dbraw/zinc/71/74/27/989717427.db2.gz ZBBCIJPAJCVJER-OAQYLSRUSA-N -1 3 397.450 3.476 20 0 GGADHM CCn1cc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c(-c2ccccc2)n1 ZINC001597887268 989731431 /nfs/dbraw/zinc/73/14/31/989731431.db2.gz GWASLNYJWKSPTQ-UHFFFAOYSA-N -1 3 383.492 3.152 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(CC1(CC(=O)[O-])CC1)C2 ZINC001590315268 989744561 /nfs/dbraw/zinc/74/45/61/989744561.db2.gz NQVIIDNXDNXTCA-UHFFFAOYSA-N -1 3 376.453 3.483 20 0 GGADHM CC(C)(C)OC(=O)Nc1cnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cn1 ZINC001590319775 989757952 /nfs/dbraw/zinc/75/79/52/989757952.db2.gz NRKOJDHFHKAELL-CYBMUJFWSA-N -1 3 378.473 3.146 20 0 GGADHM CC(C)(CNC(=O)NCCCCCCC(=O)[O-])N1CCc2ccccc2C1 ZINC001590723149 990503163 /nfs/dbraw/zinc/50/31/63/990503163.db2.gz LVUJBCNCYBMAAY-UHFFFAOYSA-N -1 3 375.513 3.158 20 0 GGADHM CN(C)C(=O)Sc1cccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)c1 ZINC001598144029 990607045 /nfs/dbraw/zinc/60/70/45/990607045.db2.gz FJDOVBRBIZTKSA-RYQLBKOJSA-N -1 3 392.521 3.305 20 0 GGADHM CN(C)C(=O)Sc1cccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)c1 ZINC001598144028 990607222 /nfs/dbraw/zinc/60/72/22/990607222.db2.gz FJDOVBRBIZTKSA-JQHSSLGASA-N -1 3 392.521 3.305 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)Cc1ccccc1 ZINC001598169449 990689055 /nfs/dbraw/zinc/68/90/55/990689055.db2.gz AEVHDZFSPSITRS-SFHVURJKSA-N -1 3 392.459 3.227 20 0 GGADHM CN(C)C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001598203409 990830016 /nfs/dbraw/zinc/83/00/16/990830016.db2.gz VGPKVLMBESDWOY-SFHVURJKSA-N -1 3 399.878 3.481 20 0 GGADHM CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598225255 990913163 /nfs/dbraw/zinc/91/31/63/990913163.db2.gz FTVJEDUFNJGVPV-CQSZACIVSA-N -1 3 391.493 3.174 20 0 GGADHM CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001598225808 990919202 /nfs/dbraw/zinc/91/92/02/990919202.db2.gz XOGFNACESDOUBL-OAHLLOKOSA-N -1 3 385.464 3.113 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001598228618 990922469 /nfs/dbraw/zinc/92/24/69/990922469.db2.gz MMAHJSWLTBQGAE-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001598228799 990923211 /nfs/dbraw/zinc/92/32/11/990923211.db2.gz AEOUEFFMHJKZPO-UHFFFAOYSA-N -1 3 396.538 3.163 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001598229274 990927129 /nfs/dbraw/zinc/92/71/29/990927129.db2.gz HAOLKTHBOFNFPD-UHFFFAOYSA-N -1 3 383.420 3.320 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001598229363 990928373 /nfs/dbraw/zinc/92/83/73/990928373.db2.gz KBLKUOQHFVBSCI-UHFFFAOYSA-N -1 3 383.420 3.320 20 0 GGADHM COc1cccc([C@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])c1 ZINC001599687767 991014063 /nfs/dbraw/zinc/01/40/63/991014063.db2.gz BKTQRMPFUTXIHM-HNNXBMFYSA-N -1 3 394.221 3.102 20 0 GGADHM CN(C)Cc1ccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)c(F)c1 ZINC001598252811 991034912 /nfs/dbraw/zinc/03/49/12/991034912.db2.gz PMUMCJIXICTSIN-UHFFFAOYSA-N -1 3 382.395 3.024 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001598253033 991037377 /nfs/dbraw/zinc/03/73/77/991037377.db2.gz ARGRWMYNVJUMKI-INIZCTEOSA-N -1 3 380.366 3.480 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001598253085 991038865 /nfs/dbraw/zinc/03/88/65/991038865.db2.gz GRLOARJIBJFTLQ-MRXNPFEDSA-N -1 3 391.265 3.066 20 0 GGADHM CN(C)Cc1ccccc1CNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001598253729 991048849 /nfs/dbraw/zinc/04/88/49/991048849.db2.gz CPKPLMJHCOBCCB-UHFFFAOYSA-N -1 3 398.484 3.078 20 0 GGADHM COc1ccccc1-c1ccc([C@@H](C)N[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1 ZINC001599692733 991096672 /nfs/dbraw/zinc/09/66/72/991096672.db2.gz SZUDBRMGAVBOEE-UZLBHIALSA-N -1 3 396.487 3.479 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590980824 991134124 /nfs/dbraw/zinc/13/41/24/991134124.db2.gz KYHQADIWMSYKGM-JQVVWYNYSA-N -1 3 387.524 3.039 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001590981546 991142331 /nfs/dbraw/zinc/14/23/31/991142331.db2.gz WMYSDJIDISLWTF-NRFANRHFSA-N -1 3 397.519 3.270 20 0 GGADHM CC(C)[C@H](CNC(=O)[C@@H](N)CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001590982703 991153259 /nfs/dbraw/zinc/15/32/59/991153259.db2.gz SPXWPYNHZGILKZ-WFASDCNBSA-N -1 3 375.296 3.116 20 0 GGADHM CC(C)[C@@H](NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC001591002159 991262584 /nfs/dbraw/zinc/26/25/84/991262584.db2.gz OROXLLAONDEIGV-VQIMIIECSA-N -1 3 378.488 3.462 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001591007344 991268245 /nfs/dbraw/zinc/26/82/45/991268245.db2.gz CYKGOWILIKXHNY-MRXNPFEDSA-N -1 3 381.904 3.228 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1F ZINC001591007362 991269435 /nfs/dbraw/zinc/26/94/35/991269435.db2.gz DMFROLOHOGXBRD-INIZCTEOSA-N -1 3 399.894 3.367 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC001591025327 991324840 /nfs/dbraw/zinc/32/48/40/991324840.db2.gz PHLJXQNVCISHTI-MOPGFXCFSA-N -1 3 390.867 3.325 20 0 GGADHM CN(C)c1ccc(F)cc1CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598322555 991333682 /nfs/dbraw/zinc/33/36/82/991333682.db2.gz XPPOFZNKDYSVGA-DLBZAZTESA-N -1 3 378.394 3.470 20 0 GGADHM COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001599716020 991456624 /nfs/dbraw/zinc/45/66/24/991456624.db2.gz XTQNCFHRDIVLKO-KRWDZBQOSA-N -1 3 398.459 3.009 20 0 GGADHM CN(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C(C)(C)CC(=O)[O-] ZINC001598386895 991613096 /nfs/dbraw/zinc/61/30/96/991613096.db2.gz NIKAIDGENGEQBX-SFHVURJKSA-N -1 3 378.469 3.278 20 0 GGADHM CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C(C)(C)CC(=O)[O-] ZINC001598386893 991613474 /nfs/dbraw/zinc/61/34/74/991613474.db2.gz NIKAIDGENGEQBX-GOSISDBHSA-N -1 3 378.469 3.278 20 0 GGADHM COc1cnccc1N1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001599728526 991670101 /nfs/dbraw/zinc/67/01/01/991670101.db2.gz XILMAURDZLFKAY-QGZVFWFLSA-N -1 3 395.381 3.057 20 0 GGADHM CN(CC(=O)[O-])C(=O)CCNC1(c2ccccc2Br)CCCCC1 ZINC001598409406 991726452 /nfs/dbraw/zinc/72/64/52/991726452.db2.gz LZDDIEHTFVWKLO-UHFFFAOYSA-N -1 3 397.313 3.131 20 0 GGADHM CN(C[C@H](O)CC[C@H](O)c1ccccc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598432918 991806370 /nfs/dbraw/zinc/80/63/70/991806370.db2.gz PJKIERFHWWSNCE-LJHODMEESA-N -1 3 397.393 3.036 20 0 GGADHM CN(C[C@H](O)CC[C@@H](O)c1ccccc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598432916 991807171 /nfs/dbraw/zinc/80/71/71/991807171.db2.gz PJKIERFHWWSNCE-BJZITVGISA-N -1 3 397.393 3.036 20 0 GGADHM COc1nsc(CN2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC001599740272 991840250 /nfs/dbraw/zinc/84/02/50/991840250.db2.gz MAWCIANKISWVOK-GFCCVEGCSA-N -1 3 384.498 3.184 20 0 GGADHM COc1nsc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)c1C(=O)[O-] ZINC001599740694 991849086 /nfs/dbraw/zinc/84/90/86/991849086.db2.gz CMFKQQMRBZEOJK-UHFFFAOYSA-N -1 3 384.498 3.184 20 0 GGADHM COc1nsc(CNCCN(Cc2ccccc2)c2ccccn2)c1C(=O)[O-] ZINC001599741234 991860214 /nfs/dbraw/zinc/86/02/14/991860214.db2.gz AHQMZPOHLOQARO-UHFFFAOYSA-N -1 3 398.488 3.041 20 0 GGADHM CN(CCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598490329 992279696 /nfs/dbraw/zinc/27/96/96/992279696.db2.gz BXSVFFPGHPOBES-UHFFFAOYSA-N -1 3 379.819 3.431 20 0 GGADHM CN(CCNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)Cc1ccccc1 ZINC001598490662 992285643 /nfs/dbraw/zinc/28/56/43/992285643.db2.gz JQUUSKAXUBWPPI-UHFFFAOYSA-N -1 3 395.459 3.105 20 0 GGADHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001591331864 992308908 /nfs/dbraw/zinc/30/89/08/992308908.db2.gz YAZUILMMYKEDLD-UHFFFAOYSA-N -1 3 390.480 3.489 20 0 GGADHM C[S@](=O)Cc1ccc(CNCc2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC001599777281 992320146 /nfs/dbraw/zinc/32/01/46/992320146.db2.gz QIZYLQSKSQNIDQ-QHCPKHFHSA-N -1 3 396.306 3.316 20 0 GGADHM CC(C)CN(CCc1ccc(F)cc1)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001591342532 992322015 /nfs/dbraw/zinc/32/20/15/992322015.db2.gz GOHSIWHIBMPBPJ-UHFFFAOYSA-N -1 3 378.488 3.230 20 0 GGADHM CC(C)CN1CCC[C@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001591364842 992365076 /nfs/dbraw/zinc/36/50/76/992365076.db2.gz QVQOVKMAMILFCH-ZDUSSCGKSA-N -1 3 387.249 3.345 20 0 GGADHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)CCc1nccc(C(F)(F)F)n1 ZINC001598498779 992400533 /nfs/dbraw/zinc/40/05/33/992400533.db2.gz OCYHXSGKOGJLHO-DAXSKMNVSA-N -1 3 395.381 3.147 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598503935 992474522 /nfs/dbraw/zinc/47/45/22/992474522.db2.gz ZOQHOHWKTAGRAE-QGZVFWFLSA-N -1 3 382.464 3.298 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001598506196 992506433 /nfs/dbraw/zinc/50/64/33/992506433.db2.gz YRAIMUAGVCNKLS-IGCXYCKISA-N -1 3 382.863 3.013 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001598506197 992506472 /nfs/dbraw/zinc/50/64/72/992506472.db2.gz YRAIMUAGVCNKLS-IIYDPXPESA-N -1 3 382.863 3.013 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])N(C)C)cc1 ZINC001591483399 992602853 /nfs/dbraw/zinc/60/28/53/992602853.db2.gz CXLPKYGLBFGXCS-ZCNNSNEGSA-N -1 3 389.540 3.430 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)NCc2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001591484290 992609953 /nfs/dbraw/zinc/60/99/53/992609953.db2.gz MPWYIELCCBWTGI-LJQANCHMSA-N -1 3 387.480 3.278 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)NCc2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001591484289 992610264 /nfs/dbraw/zinc/61/02/64/992610264.db2.gz MPWYIELCCBWTGI-IBGZPJMESA-N -1 3 387.480 3.278 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cn1)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001598515406 992611692 /nfs/dbraw/zinc/61/16/92/992611692.db2.gz HXGZPYVPBOCHLZ-HNNXBMFYSA-N -1 3 377.485 3.249 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)[O-])n2)N(C)C)cc1 ZINC001591484882 992614156 /nfs/dbraw/zinc/61/41/56/992614156.db2.gz WBVRTXAHEFABNQ-SFHVURJKSA-N -1 3 384.480 3.403 20 0 GGADHM CN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccc1N1CCOCC1 ZINC001598518191 992644389 /nfs/dbraw/zinc/64/43/89/992644389.db2.gz UDBWMQAFNPKAHR-UHFFFAOYSA-N -1 3 380.488 3.271 20 0 GGADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC001598524131 992697533 /nfs/dbraw/zinc/69/75/33/992697533.db2.gz YUVWKBOHXOXJNM-UHFFFAOYSA-N -1 3 386.839 3.016 20 0 GGADHM CC(C)N1CC[C@@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1ccc(F)c(F)c1 ZINC001591623745 992900833 /nfs/dbraw/zinc/90/08/33/992900833.db2.gz ZILCDGXRRFLICC-IEBWSBKVSA-N -1 3 375.419 3.372 20 0 GGADHM CC(C)N1CCC[C@@H](N[C@@](C)(CC(=O)[O-])c2ccc(Br)cc2)C1=O ZINC001591623749 992901280 /nfs/dbraw/zinc/90/12/80/992901280.db2.gz DMWCVYCPFMJKEV-QAPCUYQASA-N -1 3 397.313 3.128 20 0 GGADHM CN1C(=O)C[C@H](N[C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC001598551409 993007622 /nfs/dbraw/zinc/00/76/22/993007622.db2.gz JGWHGQCCHJFCHA-RYQLBKOJSA-N -1 3 394.805 3.306 20 0 GGADHM CN1C(=O)CCc2cc(CN3CCC(Cc4ncc(C(=O)[O-])s4)CC3)ccc21 ZINC001598552827 993023082 /nfs/dbraw/zinc/02/30/82/993023082.db2.gz YRTASELVZRYMAE-UHFFFAOYSA-N -1 3 399.516 3.205 20 0 GGADHM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CC[C@H](c2ccccc2)C1 ZINC001598555858 993056172 /nfs/dbraw/zinc/05/61/72/993056172.db2.gz UCIZVZCRRYLTEU-GHTZIAJQSA-N -1 3 391.471 3.211 20 0 GGADHM CN1C[C@H]2CCN(C(=O)Nc3ccc(Cl)cc3SCCC(=O)[O-])[C@H]2C1 ZINC001598574984 993260475 /nfs/dbraw/zinc/26/04/75/993260475.db2.gz MXBCAVMYKBVSGV-RISCZKNCSA-N -1 3 383.901 3.075 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccccc2CC(=O)[O-])CC1 ZINC001598584673 993365022 /nfs/dbraw/zinc/36/50/22/993365022.db2.gz ARLWUMYRHFRORB-UHFFFAOYSA-N -1 3 395.503 3.120 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001598587103 993400578 /nfs/dbraw/zinc/40/05/78/993400578.db2.gz SBEBKEWYKOOARF-QUCCMNQESA-N -1 3 383.448 3.107 20 0 GGADHM CN1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001598587102 993400617 /nfs/dbraw/zinc/40/06/17/993400617.db2.gz SBEBKEWYKOOARF-ICSRJNTNSA-N -1 3 383.448 3.107 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001598588428 993417493 /nfs/dbraw/zinc/41/74/93/993417493.db2.gz VYFNOBJBRMPHEN-UHFFFAOYSA-N -1 3 378.812 3.357 20 0 GGADHM CN1CCN(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598606133 993660784 /nfs/dbraw/zinc/66/07/84/993660784.db2.gz GTTILTNHTHFXDE-IPMKNSEASA-N -1 3 387.524 3.007 20 0 GGADHM C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593083555 993681489 /nfs/dbraw/zinc/68/14/89/993681489.db2.gz OJLJLHIGXUDKLG-GWCFXTLKSA-N -1 3 396.900 3.158 20 0 GGADHM C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593083556 993681498 /nfs/dbraw/zinc/68/14/98/993681498.db2.gz OJLJLHIGXUDKLG-GXFFZTMASA-N -1 3 396.900 3.158 20 0 GGADHM C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593084593 993689844 /nfs/dbraw/zinc/68/98/44/993689844.db2.gz TWRZQWGWWJCIJJ-UKRRQHHQSA-N -1 3 388.493 3.039 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593084592 993689891 /nfs/dbraw/zinc/68/98/91/993689891.db2.gz TWRZQWGWWJCIJJ-HIFRSBDPSA-N -1 3 388.493 3.039 20 0 GGADHM COc1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)c(C(=O)[O-])c1 ZINC001599591933 993695653 /nfs/dbraw/zinc/69/56/53/993695653.db2.gz OAWNDDYZPZEUFI-UHFFFAOYSA-N -1 3 377.466 3.051 20 0 GGADHM CN1CCN(C(=O)Nc2cc(F)ccc2Oc2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598607776 993699370 /nfs/dbraw/zinc/69/93/70/993699370.db2.gz APYXNBJTACFOGJ-CQSZACIVSA-N -1 3 387.411 3.098 20 0 GGADHM C[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)[C@H](c1ccccc1)N(C)C ZINC001593089717 993709020 /nfs/dbraw/zinc/70/90/20/993709020.db2.gz ZXVGREKAMDMSGT-SJLPKXTDSA-N -1 3 375.513 3.402 20 0 GGADHM CN1CCN(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)C[C@H](C(=O)[O-])C1 ZINC001598608716 993725202 /nfs/dbraw/zinc/72/52/02/993725202.db2.gz FGJXJCLOUIGWHV-MRXNPFEDSA-N -1 3 387.867 3.487 20 0 GGADHM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H](c1ccccc1)N(C)C ZINC001593108558 993764777 /nfs/dbraw/zinc/76/47/77/993764777.db2.gz FDWINXZFNPGFKH-GTNSWQLSSA-N -1 3 377.391 3.476 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001593131774 993884072 /nfs/dbraw/zinc/88/40/72/993884072.db2.gz RQHJROQMOOQFQW-QAPCUYQASA-N -1 3 392.496 3.418 20 0 GGADHM COc1ccc(Oc2ccc(CN3CC[C@H](n4cc(C(=O)[O-])nn4)C3)cc2)cc1 ZINC001599609007 993925707 /nfs/dbraw/zinc/92/57/07/993925707.db2.gz VQMRYWAZZVYOPS-INIZCTEOSA-N -1 3 394.431 3.224 20 0 GGADHM CN1CCN(c2ccc(NCc3ccc(/C=C\C(=O)[O-])o3)c3cnccc32)CC1 ZINC001598624659 994067404 /nfs/dbraw/zinc/06/74/04/994067404.db2.gz QUKMPHOTFLNJIK-DAXSKMNVSA-N -1 3 392.459 3.290 20 0 GGADHM CN1CCN(c2ccc(NCc3ccc(/C=C/C(=O)[O-])o3)c3cnccc32)CC1 ZINC001598624664 994068032 /nfs/dbraw/zinc/06/80/32/994068032.db2.gz QUKMPHOTFLNJIK-QPJJXVBHSA-N -1 3 392.459 3.290 20 0 GGADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194462 994135706 /nfs/dbraw/zinc/13/57/06/994135706.db2.gz HNMQGQGVSGDCRS-LIRRHRJNSA-N -1 3 376.416 3.205 20 0 GGADHM C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(C(=O)[O-])co1 ZINC001593195696 994149455 /nfs/dbraw/zinc/14/94/55/994149455.db2.gz DRWBBBCLVWEZEJ-KBPBESRZSA-N -1 3 375.444 3.281 20 0 GGADHM COc1ccc2c(c1)C[C@H](CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)O2 ZINC001599627127 994165060 /nfs/dbraw/zinc/16/50/60/994165060.db2.gz SCOUTASPZHERCY-FZKQIMNGSA-N -1 3 381.350 3.174 20 0 GGADHM COc1ccc2c(c1)C[C@H](CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)O2 ZINC001599627126 994165255 /nfs/dbraw/zinc/16/52/55/994165255.db2.gz SCOUTASPZHERCY-ACJLOTCBSA-N -1 3 381.350 3.174 20 0 GGADHM C[C@H](N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1OCC(=O)[O-] ZINC001593198461 994171322 /nfs/dbraw/zinc/17/13/22/994171322.db2.gz RISPWEOHVDQUMC-SPEDKVCISA-N -1 3 398.503 3.090 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC001593199431 994178264 /nfs/dbraw/zinc/17/82/64/994178264.db2.gz XRHANUCXQLDBCH-IPXJXJKCSA-N -1 3 376.497 3.130 20 0 GGADHM COc1ccc2ccccc2c1CNC[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599635586 994282739 /nfs/dbraw/zinc/28/27/39/994282739.db2.gz OEPXOQGDBNBJPS-KRWDZBQOSA-N -1 3 381.428 3.076 20 0 GGADHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598643050 994342940 /nfs/dbraw/zinc/34/29/40/994342940.db2.gz WBDFSHWTRZYJST-GOEBONIOSA-N -1 3 386.414 3.144 20 0 GGADHM C[C@@H](N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1OCC(=O)[O-] ZINC001593230017 994357156 /nfs/dbraw/zinc/35/71/56/994357156.db2.gz ASZQFOJDQKFDCZ-KGLIPLIRSA-N -1 3 376.403 3.358 20 0 GGADHM COc1cccc(C(=O)[O-])c1N(C)C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001599645726 994421670 /nfs/dbraw/zinc/42/16/70/994421670.db2.gz LSWAHEXEEZTOLG-CMPLNLGQSA-N -1 3 375.343 3.104 20 0 GGADHM COc1cccc(C(=O)[O-])c1N(C)C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001599645729 994421982 /nfs/dbraw/zinc/42/19/82/994421982.db2.gz LSWAHEXEEZTOLG-ZYHUDNBSSA-N -1 3 375.343 3.104 20 0 GGADHM C[C@@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccccc1OCC(=O)[O-] ZINC001593245875 994442249 /nfs/dbraw/zinc/44/22/49/994442249.db2.gz DFXRIOGGDFNEPA-DYVFJYSZSA-N -1 3 378.419 3.382 20 0 GGADHM C[C@@H](NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593250012 994483355 /nfs/dbraw/zinc/48/33/55/994483355.db2.gz ZSBNHVYDEGYPCC-DYVFJYSZSA-N -1 3 378.856 3.355 20 0 GGADHM C[C@@H](NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593250167 994484056 /nfs/dbraw/zinc/48/40/56/994484056.db2.gz RRWUBUNRQXOEPU-CQSZACIVSA-N -1 3 381.542 3.306 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])[N@H+](C)Cc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC001599651069 994500468 /nfs/dbraw/zinc/50/04/68/994500468.db2.gz RJNIGAPEIICYFO-LJQANCHMSA-N -1 3 383.400 3.073 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])[N@@H+](C)Cc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC001599651069 994500479 /nfs/dbraw/zinc/50/04/79/994500479.db2.gz RJNIGAPEIICYFO-LJQANCHMSA-N -1 3 383.400 3.073 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)N(C)[C@H]2CCCC[C@H]2C)c1 ZINC001599653429 994540927 /nfs/dbraw/zinc/54/09/27/994540927.db2.gz WEEZYUUVIWEEQI-YWMUFLPLSA-N -1 3 376.497 3.012 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC001599653428 994541105 /nfs/dbraw/zinc/54/11/05/994541105.db2.gz WEEZYUUVIWEEQI-XERREHJYSA-N -1 3 376.497 3.012 20 0 GGADHM CNC(=O)c1ccc(CN(C)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])cc1 ZINC001598658134 994554832 /nfs/dbraw/zinc/55/48/32/994554832.db2.gz UUBZZCJTYMVTGF-UHFFFAOYSA-N -1 3 383.423 3.007 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccnc(Br)c2)c1 ZINC001599655632 994574880 /nfs/dbraw/zinc/57/48/80/994574880.db2.gz MJXBWLCPYNQJIX-QGZVFWFLSA-N -1 3 379.254 3.332 20 0 GGADHM C[C@@H](NCCn1cc(C(=O)[O-])nn1)c1ccc2ccccc2c1OC(F)F ZINC001593285082 994633134 /nfs/dbraw/zinc/63/31/34/994633134.db2.gz AWCCBILQWUTEFM-LLVKDONJSA-N -1 3 376.363 3.082 20 0 GGADHM C[C@H](NCCn1cc(C(=O)[O-])nn1)c1ccc2ccccc2c1OC(F)F ZINC001593285083 994634433 /nfs/dbraw/zinc/63/44/33/994634433.db2.gz AWCCBILQWUTEFM-NSHDSACASA-N -1 3 376.363 3.082 20 0 GGADHM COc1cccc([C@H](O)C2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)c1 ZINC001599659786 994638302 /nfs/dbraw/zinc/63/83/02/994638302.db2.gz NBUGIDIXSGSKRB-KSFYIVLOSA-N -1 3 399.487 3.493 20 0 GGADHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001593304367 994747177 /nfs/dbraw/zinc/74/71/77/994747177.db2.gz LWBKABBKULLVHE-AWEZNQCLSA-N -1 3 383.448 3.285 20 0 GGADHM C[C@@](NCc1ccc2[nH]c(=O)[nH]c2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593305387 994763595 /nfs/dbraw/zinc/76/35/95/994763595.db2.gz YUZQPJVDARHUNA-KRWDZBQOSA-N -1 3 390.237 3.121 20 0 GGADHM C[C@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)N1c2ccccc2C[C@@H]1C ZINC001593310741 994774247 /nfs/dbraw/zinc/77/42/47/994774247.db2.gz KCFZZGPXHODVBS-GJZGRUSLSA-N -1 3 389.455 3.389 20 0 GGADHM CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001598676224 994848197 /nfs/dbraw/zinc/84/81/97/994848197.db2.gz BDHIQCQAEWQFRQ-KBPBESRZSA-N -1 3 376.478 3.013 20 0 GGADHM C[C@@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1cccc(F)c1 ZINC001593411609 995190661 /nfs/dbraw/zinc/19/06/61/995190661.db2.gz PNVKKQSGNPGCCR-QGZVFWFLSA-N -1 3 382.229 3.284 20 0 GGADHM COC(=O)[C@@H](CNCc1oc(Br)cc1C(=O)[O-])C1CCCCC1 ZINC001598702653 995243728 /nfs/dbraw/zinc/24/37/28/995243728.db2.gz MRSKQVAWKZPYKN-LBPRGKRZSA-N -1 3 388.258 3.199 20 0 GGADHM COC(=O)[C@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC001598707306 995303615 /nfs/dbraw/zinc/30/36/15/995303615.db2.gz DGTAYXUNYKQYHH-VQTJNVASSA-N -1 3 382.460 3.026 20 0 GGADHM COC(=O)[C@@H]1[C@@H](CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740719 995560399 /nfs/dbraw/zinc/56/03/99/995560399.db2.gz GAZBHSFBUHTKLC-ZHAHWJHGSA-N -1 3 382.190 3.105 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC001593584169 995696564 /nfs/dbraw/zinc/69/65/64/995696564.db2.gz FBISYRTYJHYGFF-OAHLLOKOSA-N -1 3 386.448 3.426 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC001593584165 995696666 /nfs/dbraw/zinc/69/66/66/995696666.db2.gz FBISYRTYJHYGFF-HNNXBMFYSA-N -1 3 386.448 3.426 20 0 GGADHM C[C@@H](OCCCNC(=O)CN[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1 ZINC001593608776 995799267 /nfs/dbraw/zinc/79/92/67/995799267.db2.gz RWVISAVLBLACFQ-VGSWGCGISA-N -1 3 390.524 3.284 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615316 995832052 /nfs/dbraw/zinc/83/20/52/995832052.db2.gz HEHFAHMJEVEBPX-MPGHIAIKSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@H](Oc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1F)C(=O)[O-] ZINC001593623882 995882421 /nfs/dbraw/zinc/88/24/21/995882421.db2.gz AWDFTTYYLHETDC-WCQGTBRESA-N -1 3 393.333 3.364 20 0 GGADHM C[C@H](Oc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1F)C(=O)[O-] ZINC001593623883 995882488 /nfs/dbraw/zinc/88/24/88/995882488.db2.gz AWDFTTYYLHETDC-ZMLRMANQSA-N -1 3 393.333 3.364 20 0 GGADHM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772871 995900214 /nfs/dbraw/zinc/90/02/14/995900214.db2.gz AVECWNMSNGLILK-MAUKXSAKSA-N -1 3 387.407 3.456 20 0 GGADHM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772869 995900550 /nfs/dbraw/zinc/90/05/50/995900550.db2.gz AVECWNMSNGLILK-CRAIPNDOSA-N -1 3 387.407 3.456 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@@H](O)c1ccccc1Br)C(=O)[O-] ZINC001593644605 995963512 /nfs/dbraw/zinc/96/35/12/995963512.db2.gz AMNUQBBXDZYDCP-MLGOLLRUSA-N -1 3 394.265 3.124 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@H]1CCN(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC001593644881 995967504 /nfs/dbraw/zinc/96/75/04/995967504.db2.gz DTGHLTNHKZGPRP-BBRMVZONSA-N -1 3 376.403 3.185 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@H](O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001593646114 995980546 /nfs/dbraw/zinc/98/05/46/995980546.db2.gz ODWTVOBUNNXGOJ-WBMJQRKESA-N -1 3 399.365 3.260 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001593646111 995980630 /nfs/dbraw/zinc/98/06/30/995980630.db2.gz ODWTVOBUNNXGOJ-MLGOLLRUSA-N -1 3 399.365 3.260 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646683 995987917 /nfs/dbraw/zinc/98/79/17/995987917.db2.gz ZXZHDDFYWQGFJB-HLLBOEOZSA-N -1 3 377.481 3.338 20 0 GGADHM CC(C)[C@@H](CNCc1ccccc1O[C@@H](C)C(=O)[O-])ONC(=O)OC(C)(C)C ZINC001593646983 995990921 /nfs/dbraw/zinc/99/09/21/995990921.db2.gz YHNQTBGVDFGVOR-WMLDXEAASA-N -1 3 396.484 3.109 20 0 GGADHM C[C@@H](SCCN(C)Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593661536 996038319 /nfs/dbraw/zinc/03/83/19/996038319.db2.gz FNTKNXMKRMAOBC-MRXNPFEDSA-N -1 3 386.517 3.255 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689299 996132082 /nfs/dbraw/zinc/13/20/82/996132082.db2.gz GACLUMPDTDJWKM-NWDGAFQWSA-N -1 3 377.828 3.438 20 0 GGADHM C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC001593697838 996158419 /nfs/dbraw/zinc/15/84/19/996158419.db2.gz QSOWXUPSTMCBGH-CYBMUJFWSA-N -1 3 394.518 3.179 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C(=O)[O-])C1 ZINC001598803691 996163846 /nfs/dbraw/zinc/16/38/46/996163846.db2.gz NUSAULLVRDCZCN-AEFFLSMTSA-N -1 3 384.432 3.021 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001598804139 996167846 /nfs/dbraw/zinc/16/78/46/996167846.db2.gz QOKBSCDVXWVUFK-WCQYABFASA-N -1 3 377.384 3.137 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001598804137 996167895 /nfs/dbraw/zinc/16/78/95/996167895.db2.gz QOKBSCDVXWVUFK-AAEUAGOBSA-N -1 3 377.384 3.137 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598806032 996187522 /nfs/dbraw/zinc/18/75/22/996187522.db2.gz YRZXHCQROAEWEE-HNAYVOBHSA-N -1 3 387.407 3.456 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711701 996213656 /nfs/dbraw/zinc/21/36/56/996213656.db2.gz WWYPOCAUSHLQGE-LPHOPBHVSA-N -1 3 397.475 3.497 20 0 GGADHM CC1(C)C(=O)N[C@H]1C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001593822758 996563114 /nfs/dbraw/zinc/56/31/14/996563114.db2.gz PRFYVYRZRWYGPA-CABCVRRESA-N -1 3 384.398 3.068 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])[C@@H]2CCO[C@@H]21 ZINC001593835070 996587168 /nfs/dbraw/zinc/58/71/68/996587168.db2.gz JFXNEJRLLXHTSU-AMFBXLIHSA-N -1 3 387.263 3.033 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])[C@@H]2CCO[C@H]21 ZINC001593835072 996587258 /nfs/dbraw/zinc/58/72/58/996587258.db2.gz JFXNEJRLLXHTSU-TZTCFGBESA-N -1 3 387.263 3.033 20 0 GGADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593836000 996590592 /nfs/dbraw/zinc/59/05/92/996590592.db2.gz SINKZQNBWCEJAX-RBUKOAKNSA-N -1 3 382.460 3.297 20 0 GGADHM COC(=O)CCC1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001598851171 996605188 /nfs/dbraw/zinc/60/51/88/996605188.db2.gz WCABRKYRXKGVKG-INIZCTEOSA-N -1 3 384.270 3.240 20 0 GGADHM COC(=O)COc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001598866925 996712527 /nfs/dbraw/zinc/71/25/27/996712527.db2.gz SWWYLKVDIZOJHT-UHFFFAOYSA-N -1 3 377.824 3.222 20 0 GGADHM COC(=O)N1CCC[C@@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001598878982 996787736 /nfs/dbraw/zinc/78/77/36/996787736.db2.gz FHWNXJIXZPZCHD-LJQANCHMSA-N -1 3 398.459 3.284 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC001599379377 996807227 /nfs/dbraw/zinc/80/72/27/996807227.db2.gz GCOQNDYYACMNIE-BXUZGUMPSA-N -1 3 397.830 3.276 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN[C@@H](C)c1ccccc1Cl ZINC001599379951 996818445 /nfs/dbraw/zinc/81/84/45/996818445.db2.gz SAKCUTFKRNFVIW-GXTWGEPZSA-N -1 3 379.840 3.137 20 0 GGADHM COC[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)[O-] ZINC001599177164 996871287 /nfs/dbraw/zinc/87/12/87/996871287.db2.gz VYTGITDUCLIQEC-MRXNPFEDSA-N -1 3 397.258 3.435 20 0 GGADHM COC[C@@H](NCc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)[O-] ZINC001599177644 996880752 /nfs/dbraw/zinc/88/07/52/996880752.db2.gz RQTWCEOMERQWKO-LJQANCHMSA-N -1 3 399.422 3.301 20 0 GGADHM COc1ccc(C(=O)[O-])c(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001599490085 996922563 /nfs/dbraw/zinc/92/25/63/996922563.db2.gz SLAFEMJRJVZMOS-INIZCTEOSA-N -1 3 383.448 3.132 20 0 GGADHM COc1cc([C@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC001599388433 996987313 /nfs/dbraw/zinc/98/73/13/996987313.db2.gz CUHWEDONPMCMKR-GJZGRUSLSA-N -1 3 384.476 3.211 20 0 GGADHM COCc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001599287187 997000792 /nfs/dbraw/zinc/00/07/92/997000792.db2.gz HLCDNPYGROOQDR-RTBURBONSA-N -1 3 383.448 3.098 20 0 GGADHM COCc1cc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599287409 997003775 /nfs/dbraw/zinc/00/37/75/997003775.db2.gz MWSPCAYETZHTCN-DNVCBOLYSA-N -1 3 397.475 3.488 20 0 GGADHM COCc1cc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599287411 997004498 /nfs/dbraw/zinc/00/44/98/997004498.db2.gz MWSPCAYETZHTCN-KXBFYZLASA-N -1 3 397.475 3.488 20 0 GGADHM COCc1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)cc(C(=O)[O-])c1 ZINC001599288153 997017456 /nfs/dbraw/zinc/01/74/56/997017456.db2.gz ZJCGHYOUXDYKEV-LJQANCHMSA-N -1 3 397.475 3.236 20 0 GGADHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1OCCO ZINC001599390070 997017803 /nfs/dbraw/zinc/01/78/03/997017803.db2.gz WNQZADUDGFWFBQ-SGTLLEGYSA-N -1 3 379.840 3.196 20 0 GGADHM COc1cc(C)ccc1Oc1ccccc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599394795 997105608 /nfs/dbraw/zinc/10/56/08/997105608.db2.gz ASBDERHXHBZONG-NRFANRHFSA-N -1 3 385.460 3.453 20 0 GGADHM COC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H]1c1ccccc1 ZINC001598897736 997112786 /nfs/dbraw/zinc/11/27/86/997112786.db2.gz ISCWMHBNGFOCGH-HBUWYVDXSA-N -1 3 391.826 3.493 20 0 GGADHM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001599395864 997124285 /nfs/dbraw/zinc/12/42/85/997124285.db2.gz BVQOBDGWLQGWJX-LNENJAERSA-N -1 3 381.428 3.221 20 0 GGADHM COC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@H]1c1ccc(O)cc1 ZINC001598898773 997133393 /nfs/dbraw/zinc/13/33/93/997133393.db2.gz JVEVOWAMVDTDBM-DLBZAZTESA-N -1 3 389.835 3.132 20 0 GGADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001599502186 997145899 /nfs/dbraw/zinc/14/58/99/997145899.db2.gz VBJNVFWEGITPBT-CQSZACIVSA-N -1 3 390.480 3.009 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccc(O[C@H](C)C(=O)[O-])cc3)[C@H]2C(C)C)C1 ZINC001599094349 997251110 /nfs/dbraw/zinc/25/11/10/997251110.db2.gz LPGMBOQTMMCBCU-QAPCUYQASA-N -1 3 377.481 3.148 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccc(O[C@H](C)C(=O)[O-])cc3)[C@@H]2C(C)C)C1 ZINC001599094343 997251195 /nfs/dbraw/zinc/25/11/95/997251195.db2.gz LPGMBOQTMMCBCU-CRAIPNDOSA-N -1 3 377.481 3.148 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccccc3O[C@@H](C)C(=O)[O-])[C@@H]2C(C)C)C1 ZINC001599095386 997270719 /nfs/dbraw/zinc/27/07/19/997270719.db2.gz QDNRNEHYLPOVBR-MAUKXSAKSA-N -1 3 377.481 3.148 20 0 GGADHM COc1cc(CN(C)C[C@@H]2CCCO2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599404819 997277869 /nfs/dbraw/zinc/27/78/69/997277869.db2.gz BFQAISAGBGXWCR-HNNXBMFYSA-N -1 3 375.421 3.176 20 0 GGADHM CC1([C@H]2CCCN(Cc3cc(Br)ccc3C(=O)[O-])C2)OCCO1 ZINC001593993140 997279200 /nfs/dbraw/zinc/27/92/00/997279200.db2.gz SLDWGPVWEBHIHD-ZDUSSCGKSA-N -1 3 384.270 3.122 20 0 GGADHM C[C@]1(C2CCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)COC(=O)N1 ZINC001593994253 997292351 /nfs/dbraw/zinc/29/23/51/997292351.db2.gz ONYFLLOGDYALBA-WMLDXEAASA-N -1 3 386.370 3.042 20 0 GGADHM COc1cc(CN(C)C)ccc1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001599405778 997297105 /nfs/dbraw/zinc/29/71/05/997297105.db2.gz KPXSMEQQEJEUTQ-UHFFFAOYSA-N -1 3 381.432 3.118 20 0 GGADHM COc1cc(CN(CC(=O)[O-])Cc2c[nH]nc2-c2cccc(C)c2)cc(OC)c1 ZINC001599405847 997298455 /nfs/dbraw/zinc/29/84/55/997298455.db2.gz LYMMXEPWLKQITL-UHFFFAOYSA-N -1 3 395.459 3.489 20 0 GGADHM COC(=O)[C@]12CCC[C@H]1N(Cc1cc(C(=O)[O-])ccc1Br)CC2 ZINC001598907960 997302791 /nfs/dbraw/zinc/30/27/91/997302791.db2.gz HDLCJSDMBRZNRP-PBHICJAKSA-N -1 3 382.254 3.065 20 0 GGADHM COc1cc(CN2CC[C@H](C)[C@@H](OC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406564 997315908 /nfs/dbraw/zinc/31/59/08/997315908.db2.gz FZUNJOYDYCAQLQ-XOBRGWDASA-N -1 3 389.448 3.422 20 0 GGADHM COc1cc(CN2CCC[C@H](CCO)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406748 997321122 /nfs/dbraw/zinc/32/11/22/997321122.db2.gz AYFIZHNMPRTANM-OAHLLOKOSA-N -1 3 389.448 3.160 20 0 GGADHM COc1cc(CN2CCC([C@@H](C)O)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407106 997330190 /nfs/dbraw/zinc/33/01/90/997330190.db2.gz GWXOYXHOIZCSRA-CQSZACIVSA-N -1 3 389.448 3.158 20 0 GGADHM COc1cc(CN2CC[C@@H](n3cccn3)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407197 997334900 /nfs/dbraw/zinc/33/49/00/997334900.db2.gz IWXJRITTXKYWPR-MRXNPFEDSA-N -1 3 397.431 3.209 20 0 GGADHM COc1cc(CN2CC([C@@H]3CCOC3)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407360 997345384 /nfs/dbraw/zinc/34/53/84/997345384.db2.gz QFDJISOPDPLSKV-OAHLLOKOSA-N -1 3 387.432 3.034 20 0 GGADHM COc1cc(CN2CC[C@@H](O)C(C)(C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407516 997350860 /nfs/dbraw/zinc/35/08/60/997350860.db2.gz MTRYOBJBOXCTLI-LJQANCHMSA-N -1 3 389.448 3.158 20 0 GGADHM COc1cc(CN2CCN(C)[C@@H](C)[C@@H]2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407701 997357542 /nfs/dbraw/zinc/35/75/42/997357542.db2.gz QFJACUWCBADINX-GJZGRUSLSA-N -1 3 388.464 3.090 20 0 GGADHM COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407830 997360166 /nfs/dbraw/zinc/36/01/66/997360166.db2.gz QZKRLMOLDJRONM-ZBFHGGJFSA-N -1 3 389.448 3.158 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC001599514972 997368377 /nfs/dbraw/zinc/36/83/77/997368377.db2.gz BFWVOQUBUTWUHW-KUHUBIRLSA-N -1 3 385.464 3.308 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC001599515779 997383067 /nfs/dbraw/zinc/38/30/67/997383067.db2.gz HOEVRNLHYNIVMX-LJQANCHMSA-N -1 3 399.491 3.482 20 0 GGADHM COc1ccc([C@@H](CN[C@H](C)c2ncc(C(=O)[O-])s2)N2CCCC2)cc1 ZINC001599516834 997404134 /nfs/dbraw/zinc/40/41/34/997404134.db2.gz QPQPNJHWDWUABE-CZUORRHYSA-N -1 3 375.494 3.338 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599517306 997413066 /nfs/dbraw/zinc/41/30/66/997413066.db2.gz UUUAZEPEKBBJTC-KRWDZBQOSA-N -1 3 391.855 3.471 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599517307 997414174 /nfs/dbraw/zinc/41/41/74/997414174.db2.gz UUUAZEPEKBBJTC-QGZVFWFLSA-N -1 3 391.855 3.471 20 0 GGADHM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(C1CC1)C1CCCCC1 ZINC001598914192 997425789 /nfs/dbraw/zinc/42/57/89/997425789.db2.gz MIFLDLAGSBZXRT-UHFFFAOYSA-N -1 3 394.493 3.277 20 0 GGADHM COc1cc(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC001599413854 997470327 /nfs/dbraw/zinc/47/03/27/997470327.db2.gz QOKNPVUOKAXVQK-YJBOKZPZSA-N -1 3 397.475 3.028 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1OC(=O)C1CC1 ZINC001599414397 997478826 /nfs/dbraw/zinc/47/88/26/997478826.db2.gz CAEJYJYVSNRSIR-LJQANCHMSA-N -1 3 387.407 3.374 20 0 GGADHM COc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)ccc1OCC(F)(F)F ZINC001599414924 997490227 /nfs/dbraw/zinc/49/02/27/997490227.db2.gz BAAADUDHGGTMOT-UHFFFAOYSA-N -1 3 386.370 3.271 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc(Br)c1OC ZINC001599416200 997515101 /nfs/dbraw/zinc/51/51/01/997515101.db2.gz NUGOOANMYNZZSZ-CYBMUJFWSA-N -1 3 386.267 3.443 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599417865 997541888 /nfs/dbraw/zinc/54/18/88/997541888.db2.gz FWJVLTPQMAULDX-MOFZMDFASA-N -1 3 380.872 3.313 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC001599526807 997574047 /nfs/dbraw/zinc/57/40/47/997574047.db2.gz DUNFJRNFFPYHEL-LJQANCHMSA-N -1 3 376.497 3.276 20 0 GGADHM COc1ccc([C@H](NC[C@H](O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1O ZINC001599527757 997592567 /nfs/dbraw/zinc/59/25/67/997592567.db2.gz QGMQBYNZSMMCJU-HOCLYGCPSA-N -1 3 386.231 3.157 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599527887 997594906 /nfs/dbraw/zinc/59/49/06/997594906.db2.gz LOGZTEGJWYYKDG-PZJWPPBQSA-N -1 3 384.476 3.375 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001599528759 997610813 /nfs/dbraw/zinc/61/08/13/997610813.db2.gz RMGOGKFZAGDCJS-RBUKOAKNSA-N -1 3 376.497 3.132 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599529026 997615596 /nfs/dbraw/zinc/61/55/96/997615596.db2.gz UIACXPKVTRKSBR-VQTJNVASSA-N -1 3 384.476 3.027 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599529023 997616177 /nfs/dbraw/zinc/61/61/77/997616177.db2.gz UIACXPKVTRKSBR-PMACEKPBSA-N -1 3 384.476 3.027 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001599529446 997624045 /nfs/dbraw/zinc/62/40/45/997624045.db2.gz ZDQKKWVIJKPRDA-FUHWJXTLSA-N -1 3 376.497 3.084 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(Br)cc2C)C(=O)[O-])cc1O ZINC001599530382 997639053 /nfs/dbraw/zinc/63/90/53/997639053.db2.gz CLDWYOCVDGWYHT-MRXNPFEDSA-N -1 3 380.238 3.387 20 0 GGADHM COc1ccc([C@H](NCc2cn(-c3ccncc3)nc2C)C(=O)[O-])cc1Cl ZINC001599530653 997644897 /nfs/dbraw/zinc/64/48/97/997644897.db2.gz GQWVYPJRHCTDIN-SFHVURJKSA-N -1 3 386.839 3.153 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])cc1 ZINC001599531701 997666029 /nfs/dbraw/zinc/66/60/29/997666029.db2.gz LILZVZXWEVKBPL-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM COc1ccc([C@H](NCc2sc3nc(C)nc(C)c3c2C)C(=O)[O-])cc1O ZINC001599531863 997668630 /nfs/dbraw/zinc/66/86/30/997668630.db2.gz UKVGWVJIYUUYHP-KRWDZBQOSA-N -1 3 387.461 3.246 20 0 GGADHM COC(=O)c1cc(C2CCN([C@@H](C(=O)[O-])c3ccccc3Cl)CC2)no1 ZINC001598928027 997687108 /nfs/dbraw/zinc/68/71/08/997687108.db2.gz HRMPBCDLFHVGTH-MRXNPFEDSA-N -1 3 378.812 3.120 20 0 GGADHM COC(=O)c1cc(C2CCN(Cc3ccc(C(=O)[O-])c4cccnc34)CC2)no1 ZINC001598928529 997696766 /nfs/dbraw/zinc/69/67/66/997696766.db2.gz QHTXUJMOQYUUBT-UHFFFAOYSA-N -1 3 395.415 3.087 20 0 GGADHM COC(=O)c1cc(CNC2(c3ccc(F)cc3)CCOCC2)cc(C(=O)[O-])c1 ZINC001598929709 997722625 /nfs/dbraw/zinc/72/26/25/997722625.db2.gz CRHUCQPHVPWYRX-UHFFFAOYSA-N -1 3 387.407 3.106 20 0 GGADHM C[C@]1(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCN(Cc2ccccc2)C1 ZINC001594053222 997768230 /nfs/dbraw/zinc/76/82/30/997768230.db2.gz QWTQFXSEYJGBTP-IBGZPJMESA-N -1 3 388.855 3.219 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(C)s1 ZINC001598931826 997773223 /nfs/dbraw/zinc/77/32/23/997773223.db2.gz APUMTQQCGQBKDT-LLVKDONJSA-N -1 3 380.491 3.377 20 0 GGADHM COC(=O)c1cc(CN2CC[C@@H](COCc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598932424 997789046 /nfs/dbraw/zinc/78/90/46/997789046.db2.gz VDUCJWNQYWQMMT-QGZVFWFLSA-N -1 3 383.444 3.210 20 0 GGADHM C[C@@]1(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC001594056552 997801484 /nfs/dbraw/zinc/80/14/84/997801484.db2.gz CRDSTHQTVYDXKD-JOCHJYFZSA-N -1 3 397.475 3.326 20 0 GGADHM CC(C)(C)OC(=O)NC1(C)CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001594057964 997814723 /nfs/dbraw/zinc/81/47/23/997814723.db2.gz SJMYNBAAAFNZNC-UHFFFAOYSA-N -1 3 378.469 3.143 20 0 GGADHM COc1ccc([C@H]2CN(Cc3coc(-c4ccc(C(=O)[O-])cc4)n3)CCN2)cc1 ZINC001599540574 997833369 /nfs/dbraw/zinc/83/33/69/997833369.db2.gz XFORGSCEMCLORM-HXUWFJFHSA-N -1 3 393.443 3.195 20 0 GGADHM COc1cc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1C(=O)[O-] ZINC001599436114 997850161 /nfs/dbraw/zinc/85/01/61/997850161.db2.gz VNNIQELGRVNZKF-MRXNPFEDSA-N -1 3 397.475 3.379 20 0 GGADHM COc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)ccc1C(=O)[O-] ZINC001599437091 997866861 /nfs/dbraw/zinc/86/68/61/997866861.db2.gz GSJKZOQVOZMYBY-HNNXBMFYSA-N -1 3 389.477 3.414 20 0 GGADHM COc1c(NC(=O)N(CCc2ccccc2)CCN(C)C)cccc1C(=O)[O-] ZINC001599338719 997884096 /nfs/dbraw/zinc/88/40/96/997884096.db2.gz SYKAPZAJNWQIFM-UHFFFAOYSA-N -1 3 385.464 3.032 20 0 GGADHM COc1cc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599438403 997889459 /nfs/dbraw/zinc/88/94/59/997889459.db2.gz WDUNXUTVBDVCFO-INIZCTEOSA-N -1 3 391.855 3.471 20 0 GGADHM COc1cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1C(=O)[O-] ZINC001599438726 997895527 /nfs/dbraw/zinc/89/55/27/997895527.db2.gz ZWIIMOLXBJAPLU-GOSISDBHSA-N -1 3 383.448 3.352 20 0 GGADHM COc1c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1C(=O)[O-] ZINC001599340700 997917248 /nfs/dbraw/zinc/91/72/48/997917248.db2.gz MMKYZEPJYUZCKW-WMLDXEAASA-N -1 3 383.448 3.178 20 0 GGADHM COC(=O)c1cc(NC(=O)CN2CCCC[C@H]2CC2CCC2)cc(C(=O)[O-])c1 ZINC001598939183 997929699 /nfs/dbraw/zinc/92/96/99/997929699.db2.gz KJUMUKNDUGBYKZ-SFHVURJKSA-N -1 3 388.464 3.155 20 0 GGADHM COC(=O)c1cc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598939427 997935841 /nfs/dbraw/zinc/93/58/41/997935841.db2.gz LAVJXLPSXOFEMS-DJJJIMSYSA-N -1 3 396.443 3.239 20 0 GGADHM COc1cc(NC(=O)c2cccc(CN3CCCC3)c2)c(C(=O)[O-])cc1OC ZINC001599442014 997945271 /nfs/dbraw/zinc/94/52/71/997945271.db2.gz WRDZGOCNPUZBPN-UHFFFAOYSA-N -1 3 384.432 3.250 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3ncccc3C)CC2)c1 ZINC001599451264 998106316 /nfs/dbraw/zinc/10/63/16/998106316.db2.gz ZDWGZYLOKNUEAT-IBGZPJMESA-N -1 3 386.448 3.076 20 0 GGADHM COc1cc(OC)cc([C@H](O)CNCc2ccc(-c3ccccc3C(=O)[O-])o2)c1 ZINC001599454448 998164158 /nfs/dbraw/zinc/16/41/58/998164158.db2.gz RQDROBMORGWLPM-HXUWFJFHSA-N -1 3 397.427 3.485 20 0 GGADHM COc1cc(OC)cc([C@@H](O)CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1 ZINC001599454569 998166644 /nfs/dbraw/zinc/16/66/44/998166644.db2.gz SINRUHKAEJZDLP-FQEVSTJZSA-N -1 3 397.427 3.485 20 0 GGADHM COc1cc(OC)cc(N2CC[C@H](NCc3cc(C(=O)[O-])ccc3Cl)C2)c1 ZINC001599455297 998177980 /nfs/dbraw/zinc/17/79/80/998177980.db2.gz WAVIHOXFGRGHHK-HNNXBMFYSA-N -1 3 390.867 3.424 20 0 GGADHM COc1ccc(CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(Br)c1OC ZINC001599560446 998182289 /nfs/dbraw/zinc/18/22/89/998182289.db2.gz HOZZGAZMNNPLBN-DYVFJYSZSA-N -1 3 384.270 3.296 20 0 GGADHM COC(=O)c1cc2cc(CN3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)ccc2o1 ZINC001598957380 998269215 /nfs/dbraw/zinc/26/92/15/998269215.db2.gz FQRSFAKNYDRKMI-OLZOCXBDSA-N -1 3 385.338 3.304 20 0 GGADHM COc1cc2c(cc1OC)CCN(Cc1c3ccccc3[nH]c1C(=O)[O-])CC2 ZINC001599465925 998360900 /nfs/dbraw/zinc/36/09/00/998360900.db2.gz VPMUIRRNTQEKLS-UHFFFAOYSA-N -1 3 380.444 3.484 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1C ZINC001598965668 998414559 /nfs/dbraw/zinc/41/45/59/998414559.db2.gz QVMOTSCCAUZGDL-KGLIPLIRSA-N -1 3 384.432 3.158 20 0 GGADHM COc1ccc(Cl)cc1[C@@H](O)CNCc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001599578876 998492457 /nfs/dbraw/zinc/49/24/57/998492457.db2.gz GPWQPAOQGJOWOY-LRDDRELGSA-N -1 3 379.840 3.024 20 0 GGADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCc2cccnc2)c1 ZINC001599475361 998521033 /nfs/dbraw/zinc/52/10/33/998521033.db2.gz WPBVBLOSLFRRKQ-MRXNPFEDSA-N -1 3 379.254 3.153 20 0 GGADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCC[C@@H]2CCOC2)c1 ZINC001599475392 998523090 /nfs/dbraw/zinc/52/30/90/998523090.db2.gz XSDJAJGYEBXVME-WBMJQRKESA-N -1 3 386.286 3.332 20 0 GGADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCC[C@H]2CCOC2)c1 ZINC001599475389 998523420 /nfs/dbraw/zinc/52/34/20/998523420.db2.gz XSDJAJGYEBXVME-BLLLJJGKSA-N -1 3 386.286 3.332 20 0 GGADHM COCO[C@H](C)c1cc(F)c(CN(C)C[C@@H](C)C(=O)[O-])cc1Br ZINC001599273726 998580037 /nfs/dbraw/zinc/58/00/37/998580037.db2.gz YBLFQVWSUIHOEG-GHMZBOCLSA-N -1 3 392.265 3.422 20 0 GGADHM COCO[C@@H](C)c1cc(F)c(CN(C)C[C@@H](C)C(=O)[O-])cc1Br ZINC001599273727 998580416 /nfs/dbraw/zinc/58/04/16/998580416.db2.gz YBLFQVWSUIHOEG-MNOVXSKESA-N -1 3 392.265 3.422 20 0 GGADHM COC(=O)c1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)c2ncccc12 ZINC001598974873 998583951 /nfs/dbraw/zinc/58/39/51/998583951.db2.gz VFYRTOFFXYXNOQ-UHFFFAOYSA-N -1 3 376.412 3.278 20 0 GGADHM COC(=O)c1ccc(CNCc2ccc(CC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001598975538 998596237 /nfs/dbraw/zinc/59/62/37/998596237.db2.gz LITXODWVMLFPKA-UHFFFAOYSA-N -1 3 381.350 3.409 20 0 GGADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1Br ZINC001598975542 998596578 /nfs/dbraw/zinc/59/65/78/998596578.db2.gz LPMCQCMPBGMTSC-OAHLLOKOSA-N -1 3 378.222 3.151 20 0 GGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001594162974 998610656 /nfs/dbraw/zinc/61/06/56/998610656.db2.gz WINCOLFENORJRI-NQIIRXRSSA-N -1 3 380.488 3.053 20 0 GGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166017 998622766 /nfs/dbraw/zinc/62/27/66/998622766.db2.gz MGZWTHVSMSIPQW-WNYOCNMUSA-N -1 3 386.879 3.341 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001594189977 998737607 /nfs/dbraw/zinc/73/76/07/998737607.db2.gz DOXHVANVKBQDBR-IIBYNOLFSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCN1Cc1ccccc1 ZINC001594191299 998747122 /nfs/dbraw/zinc/74/71/22/998747122.db2.gz VQKAITDCVRELRZ-HRAATJIYSA-N -1 3 393.487 3.116 20 0 GGADHM COC(=O)c1cccc([C@H](N[C@@H](C)c2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC001598993283 998756000 /nfs/dbraw/zinc/75/60/00/998756000.db2.gz CXLBFPAATPDIBD-XOBRGWDASA-N -1 3 396.443 3.077 20 0 GGADHM COC(=O)c1cccc([C@H](NCc2cccc(-c3ccccn3)c2)C(=O)[O-])c1 ZINC001598997284 998791480 /nfs/dbraw/zinc/79/14/80/998791480.db2.gz YLPRLBJOHAIYPH-FQEVSTJZSA-N -1 3 376.412 3.451 20 0 GGADHM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC001598997510 998793541 /nfs/dbraw/zinc/79/35/41/998793541.db2.gz SXVYRBBVKKIUDV-IBGZPJMESA-N -1 3 387.407 3.281 20 0 GGADHM COC(=O)c1cnc([C@H]2CCCN([C@@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008712 998878715 /nfs/dbraw/zinc/87/87/15/998878715.db2.gz CATNBTMNQLOPFM-SWLSCSKDSA-N -1 3 378.425 3.074 20 0 GGADHM COC(=O)c1cnc(CCNCc2ccc(-c3ccccc3C(=O)[O-])o2)s1 ZINC001599009084 998881546 /nfs/dbraw/zinc/88/15/46/998881546.db2.gz INJZZCBILONYPY-UHFFFAOYSA-N -1 3 386.429 3.220 20 0 GGADHM COC(=O)c1cnc([C@H]2CCCN([C@H](C(=O)[O-])c3ccccc3F)C2)s1 ZINC001599009610 998886536 /nfs/dbraw/zinc/88/65/36/998886536.db2.gz QXFRXVJOOZEIHZ-NHYWBVRUSA-N -1 3 378.425 3.074 20 0 GGADHM COC(=O)c1csc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC001599012331 998909085 /nfs/dbraw/zinc/90/90/85/998909085.db2.gz DQMRGFAOSRFBCM-MRXNPFEDSA-N -1 3 398.278 3.387 20 0 GGADHM C[C@@H]1C[C@H](CNC(C)(C)c2cc(C(=O)[O-])on2)CCN1C(=O)OC(C)(C)C ZINC001594244573 998930721 /nfs/dbraw/zinc/93/07/21/998930721.db2.gz XQCGMCBGKUEXIZ-CHWSQXEVSA-N -1 3 381.473 3.233 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001594252221 998970812 /nfs/dbraw/zinc/97/08/12/998970812.db2.gz CCLIXYBUTZCCPN-APWZRJJASA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1C[C@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001594252223 998971679 /nfs/dbraw/zinc/97/16/79/998971679.db2.gz CCLIXYBUTZCCPN-LPHOPBHVSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CN1Cc1ccccc1 ZINC001594257473 998990933 /nfs/dbraw/zinc/99/09/33/998990933.db2.gz GWBHACYNCBCAGR-JXFKEZNVSA-N -1 3 381.476 3.488 20 0 GGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594261543 999010715 /nfs/dbraw/zinc/01/07/15/999010715.db2.gz XKUHBOAETHDCGR-ZFWWWQNUSA-N -1 3 385.464 3.421 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594261541 999010798 /nfs/dbraw/zinc/01/07/98/999010798.db2.gz XKUHBOAETHDCGR-HIFRSBDPSA-N -1 3 385.464 3.421 20 0 GGADHM CO[C@@H](C(=O)[O-])c1ccccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001599026462 999019472 /nfs/dbraw/zinc/01/94/72/999019472.db2.gz LMMWBSRWHBAVMZ-GHTZIAJQSA-N -1 3 385.460 3.129 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001594275171 999064282 /nfs/dbraw/zinc/06/42/82/999064282.db2.gz NVFPDGWBKJPZQM-XYPHTWIQSA-N -1 3 393.915 3.228 20 0 GGADHM CO[C@@H](C)c1nc(CN2CCCN([C@H](C(=O)[O-])c3ccsc3)CC2)cs1 ZINC001599041403 999120225 /nfs/dbraw/zinc/12/02/25/999120225.db2.gz AGWRYPZCODXIGU-BBRMVZONSA-N -1 3 395.550 3.246 20 0 GGADHM CC1CCC(N(C(=O)CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C2CC2)CC1 ZINC001594307274 999187280 /nfs/dbraw/zinc/18/72/80/999187280.db2.gz WFBXCNNSTBGQEN-WFHLNLCJSA-N -1 3 384.520 3.284 20 0 GGADHM C[C@@H]1CC[C@H](NCc2ccccc2OCC(=O)[O-])CN1C(=O)OC(C)(C)C ZINC001594321974 999239178 /nfs/dbraw/zinc/23/91/78/999239178.db2.gz YIQQFMHAAZIMGF-ZBFHGGJFSA-N -1 3 378.469 3.028 20 0 GGADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1 ZINC001594356140 999344394 /nfs/dbraw/zinc/34/43/94/999344394.db2.gz RYNAYTYJDJHVCX-QZTJIDSGSA-N -1 3 382.545 3.150 20 0 GGADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1 ZINC001594356139 999344433 /nfs/dbraw/zinc/34/44/33/999344433.db2.gz RYNAYTYJDJHVCX-MSOLQXFVSA-N -1 3 382.545 3.150 20 0 GGADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1 ZINC001594356141 999344539 /nfs/dbraw/zinc/34/45/39/999344539.db2.gz RYNAYTYJDJHVCX-ROUUACIJSA-N -1 3 382.545 3.150 20 0 GGADHM C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C[C@H]1CC(=O)[O-] ZINC001594412469 999541340 /nfs/dbraw/zinc/54/13/40/999541340.db2.gz MSKKPGCOGVCYQP-RLLQIKCJSA-N -1 3 387.524 3.212 20 0 GGADHM C[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C[C@]1(C)C(=O)[O-] ZINC001594412524 999541360 /nfs/dbraw/zinc/54/13/60/999541360.db2.gz OIHBWQNTPWZPNP-YRNRMSPPSA-N -1 3 393.553 3.273 20 0 GGADHM C[C@@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594423830 999584051 /nfs/dbraw/zinc/58/40/51/999584051.db2.gz IXXKHXWLHJVHQU-XAQJJABOSA-N -1 3 378.469 3.360 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)c2cccs2)CC1 ZINC001594424172 999587149 /nfs/dbraw/zinc/58/71/49/999587149.db2.gz YBPPSGVOPPHJAM-MRXNPFEDSA-N -1 3 388.493 3.436 20 0 GGADHM CC1CCN([C@@H](CNC(=O)NCC(C)(C)CC(=O)[O-])c2cccs2)CC1 ZINC001594424792 999589649 /nfs/dbraw/zinc/58/96/49/999589649.db2.gz YLCODFJTYCZOIQ-HNNXBMFYSA-N -1 3 381.542 3.321 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CN[C@@H]3CCC[C@]34CCCO4)c2C(=O)[O-])C1 ZINC001594443240 999630839 /nfs/dbraw/zinc/63/08/39/999630839.db2.gz BQUDFYAQNMAZRU-VHPWJVAPSA-N -1 3 392.521 3.201 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CNC(C)(C)[C@H]3CCCCO3)c2C(=O)[O-])C1 ZINC001594443175 999630850 /nfs/dbraw/zinc/63/08/50/999630850.db2.gz ATCPBMYTIHWWRC-SWLSCSKDSA-N -1 3 394.537 3.447 20 0 GGADHM C[C@@H]1CCc2c(sc3nc(CN4C[C@@H]5CCC[C@@H]5[C@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444156 999632800 /nfs/dbraw/zinc/63/28/00/999632800.db2.gz NIJQHEPFWSYRTD-QLQJRFMMSA-N -1 3 386.521 3.083 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CN[C@@H](CO)C3CCCCC3)c2C(=O)[O-])C1 ZINC001594444582 999634376 /nfs/dbraw/zinc/63/43/76/999634376.db2.gz VCNNZZGNUFZLRB-WFASDCNBSA-N -1 3 394.537 3.040 20 0 GGADHM COc1cc(-c2ccccc2)ccc1CN[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000426727804 1126083673 /nfs/dbraw/zinc/08/36/73/1126083673.db2.gz QMDVUOBSTCLOFR-HXUWFJFHSA-N -1 3 379.460 3.419 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(-c2ccccc2)s1 ZINC000426764705 1126089273 /nfs/dbraw/zinc/08/92/73/1126089273.db2.gz YENKEXJUFJCVEB-CYBMUJFWSA-N -1 3 396.394 3.268 20 0 GGADHM CCc1[nH]nc(Cl)c1CN[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000900034150 1126127634 /nfs/dbraw/zinc/12/76/34/1126127634.db2.gz SLICTJIQWCWUMT-ZDUSSCGKSA-N -1 3 386.677 3.174 20 0 GGADHM Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H](Cc1cncs1)C(=O)[O-] ZINC001332270630 1126177062 /nfs/dbraw/zinc/17/70/62/1126177062.db2.gz WBFJDBRLDCOWFL-MRXNPFEDSA-N -1 3 390.896 3.135 20 0 GGADHM O=C([O-])[C@@H](Cc1cncs1)NCc1cc(Cl)ccc1Br ZINC001601662002 1126225355 /nfs/dbraw/zinc/22/53/55/1126225355.db2.gz IGGSNVHYHQDCPS-GFCCVEGCSA-N -1 3 375.675 3.345 20 0 GGADHM O=C([O-])[C@]1(NCc2coc(C3CC3)n2)CCc2cc(Br)ccc2C1 ZINC001601721436 1126226602 /nfs/dbraw/zinc/22/66/02/1126226602.db2.gz QWQYOMMMZXFHNC-SFHVURJKSA-N -1 3 391.265 3.416 20 0 GGADHM C[C@](Cc1ccc(F)cc1)(NCc1ccn(CCc2ccccc2)n1)C(=O)[O-] ZINC001604222659 1126228475 /nfs/dbraw/zinc/22/84/75/1126228475.db2.gz IFNWKHGZMKAWLL-JOCHJYFZSA-N -1 3 381.451 3.441 20 0 GGADHM C[C@](Cc1ccc(F)cc1)(NCc1ncc(Br)cc1F)C(=O)[O-] ZINC001604222438 1126228522 /nfs/dbraw/zinc/22/85/22/1126228522.db2.gz DHMHDFMLJIHNJO-MRXNPFEDSA-N -1 3 385.208 3.298 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC001608542152 1126237073 /nfs/dbraw/zinc/23/70/73/1126237073.db2.gz ZNAJSRQLERWQHP-IBGZPJMESA-N -1 3 379.435 3.286 20 0 GGADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nc(-c2ccc(OC)cc2)ns1 ZINC000156036619 529767334 /nfs/dbraw/zinc/76/73/34/529767334.db2.gz KMHZFMVYKXVBLV-UHFFFAOYSA-N -1 3 377.857 3.415 20 0 GGADHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003325152 203997882 /nfs/dbraw/zinc/99/78/82/203997882.db2.gz SJXJHQXJVRZFKB-UHFFFAOYSA-N -1 3 375.368 3.071 20 0 GGADHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccc(F)c(F)c4)cs3)nc2n1 ZINC000003364232 204001528 /nfs/dbraw/zinc/00/15/28/204001528.db2.gz FELXZVVPCBLGAD-UHFFFAOYSA-N -1 3 386.387 3.395 20 0 GGADHM CC(=O)c1sc2[n-]c(CSc3nnc4n3CCCCC4)nc(=O)c2c1C ZINC000006097958 204165671 /nfs/dbraw/zinc/16/56/71/204165671.db2.gz MTIJOHSGZUXHDS-UHFFFAOYSA-N -1 3 389.506 3.106 20 0 GGADHM COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000006902363 204222551 /nfs/dbraw/zinc/22/25/51/204222551.db2.gz GRNBLCSMCNCQMM-UHFFFAOYSA-N -1 3 397.836 3.306 20 0 GGADHM C[C@@H](Sc1nc(N)n[nH]1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000008686845 204283670 /nfs/dbraw/zinc/28/36/70/204283670.db2.gz LPZLWESERAEVSO-ZCFIWIBFSA-N -1 3 376.492 3.267 20 0 GGADHM Cc1ccnc2nc(C(=O)[N-]c3nc4c(cccc4C(F)(F)F)s3)nn21 ZINC000008993741 204295979 /nfs/dbraw/zinc/29/59/79/204295979.db2.gz IPLDSNNZGIHKLS-UHFFFAOYSA-N -1 3 378.339 3.314 20 0 GGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2CC2)c(Cl)cc1Cl ZINC000008034859 204259041 /nfs/dbraw/zinc/25/90/41/204259041.db2.gz CXEGYENIQBTIJU-SECBINFHSA-N -1 3 379.309 3.353 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCC3)c2)cc1 ZINC000008033353 204259520 /nfs/dbraw/zinc/25/95/20/204259520.db2.gz VNMAZDBBPABYJE-UHFFFAOYSA-N -1 3 388.489 3.477 20 0 GGADHM CCc1nnsc1C(=O)[N-]c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000008061685 204260319 /nfs/dbraw/zinc/26/03/19/204260319.db2.gz OUDGXGIZTJXYMH-UHFFFAOYSA-N -1 3 376.463 3.494 20 0 GGADHM Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c([O-])c1 ZINC000008378556 204274004 /nfs/dbraw/zinc/27/40/04/204274004.db2.gz KORMHBZVOODIJA-UHFFFAOYSA-N -1 3 384.457 3.161 20 0 GGADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1c(F)cccc1F ZINC000009265569 204304075 /nfs/dbraw/zinc/30/40/75/204304075.db2.gz FTYWJDMCQMJUCP-UHFFFAOYSA-N -1 3 386.354 3.436 20 0 GGADHM CCc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)cc1 ZINC000036310153 205010823 /nfs/dbraw/zinc/01/08/23/205010823.db2.gz KTIXHEHPHPKUIG-SFHVURJKSA-N -1 3 378.469 3.330 20 0 GGADHM Cc1ccc(CCC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1Cl ZINC000040110966 205052456 /nfs/dbraw/zinc/05/24/56/205052456.db2.gz ZBSZFHLTBYTZFK-FQEVSTJZSA-N -1 3 385.851 3.274 20 0 GGADHM Cc1c2cccc(F)c2oc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040111073 205052525 /nfs/dbraw/zinc/05/25/25/205052525.db2.gz RQVYOWLQUDFMIH-FQEVSTJZSA-N -1 3 381.363 3.187 20 0 GGADHM C[C@@]1(c2cccc(NC(=O)c3ccc(-c4ccccc4F)o3)c2)NC(=O)[N-]C1=O ZINC000040111068 205052930 /nfs/dbraw/zinc/05/29/30/205052930.db2.gz UWOXFRGSZRZPCC-NRFANRHFSA-N -1 3 393.374 3.393 20 0 GGADHM O=C(NC1CCCCCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115355 205054452 /nfs/dbraw/zinc/05/44/52/205054452.db2.gz XUADCXHFYPATOR-UHFFFAOYSA-N -1 3 379.457 3.407 20 0 GGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccc(C)cc3C)cc(C(C)C)nc21 ZINC000044897649 205089851 /nfs/dbraw/zinc/08/98/51/205089851.db2.gz SVRXVCVVDNLRDQ-UHFFFAOYSA-N -1 3 394.475 3.487 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1Cl ZINC000046407456 205106015 /nfs/dbraw/zinc/10/60/15/205106015.db2.gz JHKKAHLURZMQDX-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000048332718 205119818 /nfs/dbraw/zinc/11/98/18/205119818.db2.gz UBGYJQPVFWBPAK-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2cccc(Cl)c2Cl)cc1 ZINC000048356134 205121182 /nfs/dbraw/zinc/12/11/82/205121182.db2.gz XVNVDCXFPJOOEI-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccccc2Cl)cc1OC ZINC000048355428 205121550 /nfs/dbraw/zinc/12/15/50/205121550.db2.gz QHBXBLRTLWKNMD-UHFFFAOYSA-N -1 3 382.869 3.291 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)OCCCO4)c2)n1 ZINC000049303197 205127437 /nfs/dbraw/zinc/12/74/37/205127437.db2.gz UUSKUMDYZFFABJ-UHFFFAOYSA-N -1 3 391.427 3.413 20 0 GGADHM C[C@H](SCc1ccccc1)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000053284708 205134959 /nfs/dbraw/zinc/13/49/59/205134959.db2.gz RGQOVLCTPRFPPM-RNODOKPDSA-N -1 3 383.473 3.002 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)s1 ZINC000057021509 205154054 /nfs/dbraw/zinc/15/40/54/205154054.db2.gz CXKSZNRJIVGUID-OAHLLOKOSA-N -1 3 384.910 3.003 20 0 GGADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000056977195 205154080 /nfs/dbraw/zinc/15/40/80/205154080.db2.gz JWTZDGRENHFBGJ-UHFFFAOYSA-N -1 3 389.415 3.474 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1OC ZINC000057993079 205161565 /nfs/dbraw/zinc/16/15/65/205161565.db2.gz SGPMHWCXCHRVOP-UHFFFAOYSA-N -1 3 399.472 3.500 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2ccc(F)cc2)cc1OC ZINC000057997151 205162871 /nfs/dbraw/zinc/16/28/71/205162871.db2.gz ASXBNSOJOQVETR-UHFFFAOYSA-N -1 3 380.441 3.167 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CSC3=O)cc2)cc1C ZINC000058141713 205163555 /nfs/dbraw/zinc/16/35/55/205163555.db2.gz SNGWDAQVJRJEJA-UHFFFAOYSA-N -1 3 390.486 3.300 20 0 GGADHM COc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc(OC)c1Br ZINC000058168148 205165167 /nfs/dbraw/zinc/16/51/67/205165167.db2.gz BEZVSJVZOFSGMY-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM COc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc(OC)c1Br ZINC000058168148 205165169 /nfs/dbraw/zinc/16/51/69/205165169.db2.gz BEZVSJVZOFSGMY-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(OC)c1Br ZINC000058168148 205165174 /nfs/dbraw/zinc/16/51/74/205165174.db2.gz BEZVSJVZOFSGMY-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000058173375 205167097 /nfs/dbraw/zinc/16/70/97/205167097.db2.gz OALHOFLNRFIFOZ-SFHVURJKSA-N -1 3 376.453 3.045 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000068384238 205271848 /nfs/dbraw/zinc/27/18/48/205271848.db2.gz UPZLCVJTVQBIHZ-RDJZCZTQSA-N -1 3 392.546 3.395 20 0 GGADHM O=C([N-]c1ccc(F)cc1F)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000071853333 205298803 /nfs/dbraw/zinc/29/88/03/205298803.db2.gz KNWQJKSRGYIASS-UHFFFAOYSA-N -1 3 386.333 3.076 20 0 GGADHM Cc1cnc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)o1 ZINC000072306752 205321751 /nfs/dbraw/zinc/32/17/51/205321751.db2.gz OESODSSMNWZHIC-UHFFFAOYSA-N -1 3 399.472 3.331 20 0 GGADHM CC(C)(C)OC(=O)NC1(c2noc(-c3n[n-]nc3-c3ccccc3)n2)CCC1 ZINC000225509144 206052554 /nfs/dbraw/zinc/05/25/54/206052554.db2.gz HNDKXLGNNLGUKQ-UHFFFAOYSA-N -1 3 382.424 3.426 20 0 GGADHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1ccc(F)cc1C(F)(F)F ZINC000225547616 206057110 /nfs/dbraw/zinc/05/71/10/206057110.db2.gz LQFDKEPURNPXDP-AWEZNQCLSA-N -1 3 385.379 3.056 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c(F)c1 ZINC000007428195 206222729 /nfs/dbraw/zinc/22/27/29/206222729.db2.gz BOCSABGXDBPVOO-UHFFFAOYSA-N -1 3 390.358 3.227 20 0 GGADHM Cc1ccc(N2C(=O)C[C@@H](C(=O)[N-]C3=NCCS3)[C@@H]2c2cccs2)cc1 ZINC000011499177 524921667 /nfs/dbraw/zinc/92/16/67/524921667.db2.gz ZQWIVOPBLLHXHP-RHSMWYFYSA-N -1 3 385.514 3.370 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N4CCCCC4)nc3)nc2)n1 ZINC000068666840 536090967 /nfs/dbraw/zinc/09/09/67/536090967.db2.gz PQPDCTZUZWZQRU-UHFFFAOYSA-N -1 3 390.491 3.392 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1)c1ccc(F)cc1Br ZINC000037575317 564421595 /nfs/dbraw/zinc/42/15/95/564421595.db2.gz CKXLMNBQJKXSEE-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CN1C1CC1 ZINC000124088191 564471332 /nfs/dbraw/zinc/47/13/32/564471332.db2.gz IBGYLWASUYYZIC-ONGXEEELSA-N -1 3 393.734 3.006 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)c(Cl)c1Cl ZINC000124215154 564475014 /nfs/dbraw/zinc/47/50/14/564475014.db2.gz OMIAAQLLCWFYFL-LLVKDONJSA-N -1 3 384.325 3.325 20 0 GGADHM O=S(=O)([N-]CCC1CC1)c1cc(Br)ccc1Br ZINC000091306509 564869938 /nfs/dbraw/zinc/86/99/38/564869938.db2.gz MJTLAGICOZSNOG-UHFFFAOYSA-N -1 3 383.105 3.290 20 0 GGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1ccc(Br)cc1Cl ZINC000180774403 566087881 /nfs/dbraw/zinc/08/78/81/566087881.db2.gz VFUAIDCIOINPCM-NSHDSACASA-N -1 3 382.707 3.340 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)ccc1OC(C)C ZINC000115313080 564190589 /nfs/dbraw/zinc/19/05/89/564190589.db2.gz VUJTZBOKZJYXRM-XMMPIXPASA-N -1 3 381.519 3.462 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000115454585 564194219 /nfs/dbraw/zinc/19/42/19/564194219.db2.gz SEQZRAYASQXZQR-GXTWGEPZSA-N -1 3 398.937 3.084 20 0 GGADHM Cc1cccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000115492447 564194356 /nfs/dbraw/zinc/19/43/56/564194356.db2.gz GCRLOJDHNCUIIL-GFCCVEGCSA-N -1 3 386.926 3.174 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000115593793 564196505 /nfs/dbraw/zinc/19/65/05/564196505.db2.gz WPYYOGDVFMMYCM-JTQLQIEISA-N -1 3 398.275 3.009 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000116032670 564201976 /nfs/dbraw/zinc/20/19/76/564201976.db2.gz JJJWCPMPCFDOHO-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116336603 564208524 /nfs/dbraw/zinc/20/85/24/564208524.db2.gz KVHSEFNWYBAGNB-UHFFFAOYSA-N -1 3 389.315 3.191 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000116356310 564208811 /nfs/dbraw/zinc/20/88/11/564208811.db2.gz LHIDRFRVJXRPPP-NEPJUHHUSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1nccs1 ZINC000116376647 564209310 /nfs/dbraw/zinc/20/93/10/564209310.db2.gz WBRPCGZRDXNSMB-UHFFFAOYSA-N -1 3 397.266 3.397 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000116378647 564209748 /nfs/dbraw/zinc/20/97/48/564209748.db2.gz PPOCOXKDCCNGEM-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000116461732 564211316 /nfs/dbraw/zinc/21/13/16/564211316.db2.gz TWGNROGQAPNWSE-CYBMUJFWSA-N -1 3 386.926 3.256 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Cl)cc1F ZINC000116461173 564211605 /nfs/dbraw/zinc/21/16/05/564211605.db2.gz PVQZAEKRKKAQNW-UHFFFAOYSA-N -1 3 383.253 3.111 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(C)cc3Br)cc12 ZINC000116569009 564212320 /nfs/dbraw/zinc/21/23/20/564212320.db2.gz IIVDEAFDBRSHAB-UHFFFAOYSA-N -1 3 395.282 3.148 20 0 GGADHM CCCc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)cc1 ZINC000116711362 564215034 /nfs/dbraw/zinc/21/50/34/564215034.db2.gz UVLSOCIMPFCIHY-UHFFFAOYSA-N -1 3 381.519 3.293 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc[nH]n1 ZINC000116950889 564219938 /nfs/dbraw/zinc/21/99/38/564219938.db2.gz IXZWNQUIVCZPHS-UHFFFAOYSA-N -1 3 376.825 3.116 20 0 GGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ncc(Cl)cc1Cl ZINC000117116025 564221911 /nfs/dbraw/zinc/22/19/11/564221911.db2.gz LOZOEDMJWMECDD-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM COc1ccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1Cl ZINC000117115951 564222133 /nfs/dbraw/zinc/22/21/33/564222133.db2.gz HQSYLUSUBDSWIH-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c(C)c1C ZINC000117230077 564223808 /nfs/dbraw/zinc/22/38/08/564223808.db2.gz HRGMJFZKJQXIRH-DEOSSOPVSA-N -1 3 381.519 3.300 20 0 GGADHM COc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000006441743 564224124 /nfs/dbraw/zinc/22/41/24/564224124.db2.gz FSSVVLDGQSYQJB-UHFFFAOYSA-N -1 3 380.853 3.498 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCSc2ccccc2Br)n[n-]1 ZINC000539780946 564227551 /nfs/dbraw/zinc/22/75/51/564227551.db2.gz KIKIYWHQBBKMSO-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCSc2ccccc2Br)[n-]n1 ZINC000539780946 564227554 /nfs/dbraw/zinc/22/75/54/564227554.db2.gz KIKIYWHQBBKMSO-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCc1cccnc1 ZINC000117546939 564228419 /nfs/dbraw/zinc/22/84/19/564228419.db2.gz YAMPMPLXVVKXDO-UHFFFAOYSA-N -1 3 375.454 3.224 20 0 GGADHM Cc1nnc([N-]C(=O)c2nn(-c3ccc(F)cc3)cc2Br)s1 ZINC000117570571 564229550 /nfs/dbraw/zinc/22/95/50/564229550.db2.gz SWXNVVZHFFOZKF-UHFFFAOYSA-N -1 3 382.218 3.186 20 0 GGADHM O=S(=O)([N-]Cc1cn2ccccc2n1)c1ccc(Cl)cc1C(F)(F)F ZINC000007050323 564231272 /nfs/dbraw/zinc/23/12/72/564231272.db2.gz MUOZOTFQZULNHI-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1Cl ZINC000117859261 564233190 /nfs/dbraw/zinc/23/31/90/564233190.db2.gz YUWXRRWGSKJCTJ-SECBINFHSA-N -1 3 393.317 3.211 20 0 GGADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000118373427 564239385 /nfs/dbraw/zinc/23/93/85/564239385.db2.gz RELGAWJHEICQSK-ZJUUUORDSA-N -1 3 381.295 3.257 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000118438281 564240563 /nfs/dbraw/zinc/24/05/63/564240563.db2.gz KRSTYAPUNNIIKS-MLGOLLRUSA-N -1 3 375.918 3.468 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](CCO)c1ccccc1 ZINC000119009396 564250002 /nfs/dbraw/zinc/25/00/02/564250002.db2.gz UOEXJJHQXMHJEH-OAHLLOKOSA-N -1 3 379.254 3.078 20 0 GGADHM O=C(NCCc1cc(F)cc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000119111178 564255262 /nfs/dbraw/zinc/25/52/62/564255262.db2.gz PYTZYHWKNBNMIM-UHFFFAOYSA-N -1 3 385.208 3.475 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000010494203 564257860 /nfs/dbraw/zinc/25/78/60/564257860.db2.gz AVHHGJKLNCQEPF-HNNXBMFYSA-N -1 3 389.807 3.201 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000119224216 564259727 /nfs/dbraw/zinc/25/97/27/564259727.db2.gz COWSCNNSPVOGRN-UHFFFAOYSA-N -1 3 385.486 3.413 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCCc1nc(-c2ccncc2)cs1 ZINC000119211217 564260345 /nfs/dbraw/zinc/26/03/45/564260345.db2.gz BOGKKDQOJOGEIF-UHFFFAOYSA-N -1 3 395.531 3.186 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000119250028 564262084 /nfs/dbraw/zinc/26/20/84/564262084.db2.gz TUFMVUGKDHNFNN-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCc2c(Br)ccc(F)c2C1 ZINC000119250028 564262085 /nfs/dbraw/zinc/26/20/85/564262085.db2.gz TUFMVUGKDHNFNN-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000119250028 564262087 /nfs/dbraw/zinc/26/20/87/564262087.db2.gz TUFMVUGKDHNFNN-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM COc1c(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc23)c(C)nn1C ZINC000119268496 564262694 /nfs/dbraw/zinc/26/26/94/564262694.db2.gz NBOBCVDEYMFDQR-UHFFFAOYSA-N -1 3 385.898 3.084 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000119271618 564262774 /nfs/dbraw/zinc/26/27/74/564262774.db2.gz HOYYWSIDDMXMQB-JTQLQIEISA-N -1 3 387.552 3.017 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N(C)CC(=O)Nc2c(Cl)cccc2Cl)on1 ZINC000011253776 564262766 /nfs/dbraw/zinc/26/27/66/564262766.db2.gz XFRPDWWMXYBALK-SNVBAGLBSA-N -1 3 385.251 3.187 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)c1c(C)noc1C ZINC000119283871 564263140 /nfs/dbraw/zinc/26/31/40/564263140.db2.gz USULRXZFIBRYCH-AWEZNQCLSA-N -1 3 385.873 3.333 20 0 GGADHM O=C(CCCc1cccs1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449776 564263919 /nfs/dbraw/zinc/26/39/19/564263919.db2.gz LFCSFELDDVVTKB-UHFFFAOYSA-N -1 3 398.575 3.102 20 0 GGADHM O=C(CCC1CCCCC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450851 564264195 /nfs/dbraw/zinc/26/41/95/564264195.db2.gz PAWQKGQQDMWUDH-UHFFFAOYSA-N -1 3 384.567 3.378 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000011720917 564264592 /nfs/dbraw/zinc/26/45/92/564264592.db2.gz DUJDTYRHDRJCQB-HNNXBMFYSA-N -1 3 380.466 3.164 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](c3ccco3)N(C)C)s2)cs1 ZINC000119324465 564264595 /nfs/dbraw/zinc/26/45/95/564264595.db2.gz VSXCTVHXGUYKLD-ZDUSSCGKSA-N -1 3 397.547 3.354 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1c(C)noc1C ZINC000119320878 564264679 /nfs/dbraw/zinc/26/46/79/564264679.db2.gz FKMWZYFIUJUDGS-GFCCVEGCSA-N -1 3 386.857 3.146 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3cccc(Br)c3)C2)n1 ZINC000119397603 564269193 /nfs/dbraw/zinc/26/91/93/564269193.db2.gz UEGADUCATICEDK-OAHLLOKOSA-N -1 3 378.270 3.081 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOCC1 ZINC000119413612 564270181 /nfs/dbraw/zinc/27/01/81/564270181.db2.gz DEDGPBZMIAYXHY-UHFFFAOYSA-N -1 3 375.899 3.029 20 0 GGADHM Nc1nccnc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000012741610 564270481 /nfs/dbraw/zinc/27/04/81/564270481.db2.gz HJZJPIPXBHCPQV-UHFFFAOYSA-N -1 3 378.870 3.108 20 0 GGADHM CCOc1ccccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012937549 564272515 /nfs/dbraw/zinc/27/25/15/564272515.db2.gz XELMVUCYRGWSQD-UHFFFAOYSA-N -1 3 380.535 3.090 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2Br)ccc1F ZINC000012939537 564272816 /nfs/dbraw/zinc/27/28/16/564272816.db2.gz QCHMAUSGDSAULX-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000119541234 564276145 /nfs/dbraw/zinc/27/61/45/564276145.db2.gz UHJIEFIHTUEYCB-HNNXBMFYSA-N -1 3 375.368 3.286 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000014098608 564279470 /nfs/dbraw/zinc/27/94/70/564279470.db2.gz CBFZXXUMQRLYOY-VXGBXAGGSA-N -1 3 395.352 3.160 20 0 GGADHM Cc1ccc(-c2csc3[n-]c(CSc4nc(N)n[nH]4)nc(=O)c23)s1 ZINC000014128982 564279832 /nfs/dbraw/zinc/27/98/32/564279832.db2.gz KFEATCJHEQULMD-UHFFFAOYSA-N -1 3 376.492 3.014 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000014303825 564281974 /nfs/dbraw/zinc/28/19/74/564281974.db2.gz AWPWMKAZXWAJIE-UHFFFAOYSA-N -1 3 385.820 3.336 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1nc(C)cs1 ZINC000119666449 564282180 /nfs/dbraw/zinc/28/21/80/564282180.db2.gz DDKBOZSUKYUIIG-CYBMUJFWSA-N -1 3 379.507 3.111 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ccc(Br)o2)c1 ZINC000014622911 564282442 /nfs/dbraw/zinc/28/24/42/564282442.db2.gz YSSGPLXWGVWGPS-UHFFFAOYSA-N -1 3 378.631 3.351 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015327378 564285080 /nfs/dbraw/zinc/28/50/80/564285080.db2.gz LIVDSLGMZNYAGW-HNNXBMFYSA-N -1 3 388.272 3.056 20 0 GGADHM C[C@@H]1CN(C(=O)CSc2nnc([N-]c3ccccc3F)s2)C[C@H](C)O1 ZINC000015219697 564285418 /nfs/dbraw/zinc/28/54/18/564285418.db2.gz LWJKLKPILSZBDL-PHIMTYICSA-N -1 3 382.486 3.149 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015327360 564285670 /nfs/dbraw/zinc/28/56/70/564285670.db2.gz STLYTQIHEYAMKA-HNNXBMFYSA-N -1 3 388.272 3.056 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3ccc(Cl)cn3)nc(=O)c2c1C ZINC000119733734 564285936 /nfs/dbraw/zinc/28/59/36/564285936.db2.gz XHFOSSSCSULRDX-UHFFFAOYSA-N -1 3 381.866 3.420 20 0 GGADHM COc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000015357863 564286329 /nfs/dbraw/zinc/28/63/29/564286329.db2.gz OEDVYVZTFKGYCX-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1cc(Cl)cc(Cl)c1 ZINC000015435092 564287510 /nfs/dbraw/zinc/28/75/10/564287510.db2.gz DRTNMRDLYRKGDH-UHFFFAOYSA-N -1 3 391.251 3.440 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1F ZINC000015591709 564289323 /nfs/dbraw/zinc/28/93/23/564289323.db2.gz BLWPAVXJDCHBTJ-UHFFFAOYSA-N -1 3 392.786 3.064 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000119833861 564291238 /nfs/dbraw/zinc/29/12/38/564291238.db2.gz GYRZLDXUTLBHFT-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)n[n-]1 ZINC000541904846 564294864 /nfs/dbraw/zinc/29/48/64/564294864.db2.gz XHJOZGOTFMYQFH-SECBINFHSA-N -1 3 398.232 3.305 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)[n-]n1 ZINC000541904846 564294868 /nfs/dbraw/zinc/29/48/68/564294868.db2.gz XHJOZGOTFMYQFH-SECBINFHSA-N -1 3 398.232 3.305 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000017356650 564297891 /nfs/dbraw/zinc/29/78/91/564297891.db2.gz ZUSHLHLFSDXMJC-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CCCCCC1 ZINC000017297951 564298190 /nfs/dbraw/zinc/29/81/90/564298190.db2.gz OJWKZWKMOUDIGR-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Br)n3)c2)n1 ZINC000119996317 564298691 /nfs/dbraw/zinc/29/86/91/564298691.db2.gz GNVXPTTZUOZWOQ-UHFFFAOYSA-N -1 3 399.248 3.409 20 0 GGADHM CN(C)S(=O)(=O)c1cc([N-]C(=O)c2c(F)ccc(F)c2F)ccc1Cl ZINC000120069610 564302957 /nfs/dbraw/zinc/30/29/57/564302957.db2.gz RGSQOXMEEKYZNG-UHFFFAOYSA-N -1 3 392.786 3.260 20 0 GGADHM O=S(=O)([N-]CCNc1ccc2ccccc2n1)c1ccc(F)cc1Cl ZINC000509524649 564303070 /nfs/dbraw/zinc/30/30/70/564303070.db2.gz MUHIHPGPBQNUJH-UHFFFAOYSA-N -1 3 379.844 3.418 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)cc(Cl)c1 ZINC000120106577 564304579 /nfs/dbraw/zinc/30/45/79/564304579.db2.gz GYPNMVKDCMLQHJ-UHFFFAOYSA-N -1 3 379.290 3.362 20 0 GGADHM Cc1noc(C)c1[C@H](C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000120124149 564305839 /nfs/dbraw/zinc/30/58/39/564305839.db2.gz BIBWXLJMJTVZOL-SECBINFHSA-N -1 3 382.258 3.362 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000120124004 564306229 /nfs/dbraw/zinc/30/62/29/564306229.db2.gz BIBWXLJMJTVZOL-VIFPVBQESA-N -1 3 382.258 3.362 20 0 GGADHM COc1cc(C(=O)NCCc2cc(Br)ccc2F)cc(OC)c1[O-] ZINC000120166296 564308154 /nfs/dbraw/zinc/30/81/54/564308154.db2.gz LWQZITDKMRHNOB-UHFFFAOYSA-N -1 3 398.228 3.284 20 0 GGADHM C[C@H]1CCCN(C(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)C1 ZINC000021113101 564309124 /nfs/dbraw/zinc/30/91/24/564309124.db2.gz YWWGUJPRUVNWNU-LBPRGKRZSA-N -1 3 380.901 3.388 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000021185130 564309228 /nfs/dbraw/zinc/30/92/28/564309228.db2.gz IALSXQPMXIKMQG-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000120234427 564310771 /nfs/dbraw/zinc/31/07/71/564310771.db2.gz NAFCLGAYWBGDCY-CYBMUJFWSA-N -1 3 384.523 3.444 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000120227591 564311002 /nfs/dbraw/zinc/31/10/02/564311002.db2.gz FARPBRVBUQZUKX-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2Br)c1 ZINC000120249746 564311969 /nfs/dbraw/zinc/31/19/69/564311969.db2.gz AURIAUJOCDERQK-CQSZACIVSA-N -1 3 381.230 3.215 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2Br)c1 ZINC000120249746 564311972 /nfs/dbraw/zinc/31/19/72/564311972.db2.gz AURIAUJOCDERQK-CQSZACIVSA-N -1 3 381.230 3.215 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000022239916 564315056 /nfs/dbraw/zinc/31/50/56/564315056.db2.gz HWHNZSWBPDKODU-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2Br)c1 ZINC000120338785 564315872 /nfs/dbraw/zinc/31/58/72/564315872.db2.gz DIAORCCNYWPRII-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM Cc1cnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000022365059 564316633 /nfs/dbraw/zinc/31/66/33/564316633.db2.gz PYTDIJIVZFVBGR-UHFFFAOYSA-N -1 3 387.914 3.434 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2)s1 ZINC000023058159 564322250 /nfs/dbraw/zinc/32/22/50/564322250.db2.gz BGNZHBBTWGRQJR-QGZVFWFLSA-N -1 3 380.535 3.450 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000023404259 564324091 /nfs/dbraw/zinc/32/40/91/564324091.db2.gz LDBWRRCRZYLCMA-LLVKDONJSA-N -1 3 387.479 3.189 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCCC1 ZINC000023435185 564324235 /nfs/dbraw/zinc/32/42/35/564324235.db2.gz FSZWDERBYYVVLV-UHFFFAOYSA-N -1 3 379.503 3.325 20 0 GGADHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000024452396 564330658 /nfs/dbraw/zinc/33/06/58/564330658.db2.gz VDYVZEPMYAWHLO-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000120646254 564330954 /nfs/dbraw/zinc/33/09/54/564330954.db2.gz LERPFUHHIVBDMU-UHFFFAOYSA-N -1 3 381.325 3.213 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(C)(C)C ZINC000120661238 564331404 /nfs/dbraw/zinc/33/14/04/564331404.db2.gz ADMHZFWEJBTWDI-CYBMUJFWSA-N -1 3 388.536 3.046 20 0 GGADHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000024484398 564331635 /nfs/dbraw/zinc/33/16/35/564331635.db2.gz DSJSHNGCHMIMPL-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000120694801 564332789 /nfs/dbraw/zinc/33/27/89/564332789.db2.gz GRXSDGKPEWDTEB-LDYMZIIASA-N -1 3 389.857 3.162 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1ccc(Cl)cc1F ZINC000024687343 564332872 /nfs/dbraw/zinc/33/28/72/564332872.db2.gz FNWKYPAOBVDRAO-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000120694917 564332991 /nfs/dbraw/zinc/33/29/91/564332991.db2.gz GRXSDGKPEWDTEB-KCJUWKMLSA-N -1 3 389.857 3.162 20 0 GGADHM Cc1nc(-c2c[nH]c(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2)cs1 ZINC000024890732 564334488 /nfs/dbraw/zinc/33/44/88/564334488.db2.gz MEYPVFSIXOYGJD-UHFFFAOYSA-N -1 3 376.463 3.070 20 0 GGADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1nnc(SCCO)[n-]1 ZINC000120761789 564336153 /nfs/dbraw/zinc/33/61/53/564336153.db2.gz KGDPFCFINPCHED-UHFFFAOYSA-N -1 3 375.281 3.157 20 0 GGADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1nc(SCCO)n[n-]1 ZINC000120761789 564336157 /nfs/dbraw/zinc/33/61/57/564336157.db2.gz KGDPFCFINPCHED-UHFFFAOYSA-N -1 3 375.281 3.157 20 0 GGADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1n[n-]c(SCCO)n1 ZINC000120761789 564336160 /nfs/dbraw/zinc/33/61/60/564336160.db2.gz KGDPFCFINPCHED-UHFFFAOYSA-N -1 3 375.281 3.157 20 0 GGADHM CC(C)CCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000025313415 564336613 /nfs/dbraw/zinc/33/66/13/564336613.db2.gz ZVXOZNBAPTXPSP-UHFFFAOYSA-N -1 3 381.325 3.214 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)NC(C)C)C2)c(Cl)cc1F ZINC000120802259 564337677 /nfs/dbraw/zinc/33/76/77/564337677.db2.gz KCOBTGFQISIEDJ-STQMWFEESA-N -1 3 390.908 3.149 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)c(C)s1 ZINC000120804574 564337900 /nfs/dbraw/zinc/33/79/00/564337900.db2.gz VYEJJXRCXFCXNR-UHFFFAOYSA-N -1 3 379.551 3.226 20 0 GGADHM O=C([N-]c1nc(C2CC2)cs1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025563631 564339673 /nfs/dbraw/zinc/33/96/73/564339673.db2.gz IFEIVORETFYMLS-UHFFFAOYSA-N -1 3 383.520 3.119 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000120908587 564342454 /nfs/dbraw/zinc/34/24/54/564342454.db2.gz BJMOTDJBTNNTBG-AWEZNQCLSA-N -1 3 384.498 3.152 20 0 GGADHM Cc1cccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1[O-] ZINC000120935827 564344308 /nfs/dbraw/zinc/34/43/08/564344308.db2.gz NEYBWVWKCXNZAP-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c[nH]1)N1CCCC1 ZINC000026540861 564347404 /nfs/dbraw/zinc/34/74/04/564347404.db2.gz UKGQFHGUXXUTAV-UHFFFAOYSA-N -1 3 388.276 3.358 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1ccc(Cl)c(Cl)c1 ZINC000026838505 564349502 /nfs/dbraw/zinc/34/95/02/564349502.db2.gz YRCQLHCXMXWOCK-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]CCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F ZINC000026831136 564349632 /nfs/dbraw/zinc/34/96/32/564349632.db2.gz KXSMPAKRXDNLCW-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2sccc2C1 ZINC000026839504 564350543 /nfs/dbraw/zinc/35/05/43/564350543.db2.gz PDJTWCOITHXLII-JTQLQIEISA-N -1 3 376.956 3.188 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000026862858 564350846 /nfs/dbraw/zinc/35/08/46/564350846.db2.gz KDEKCRVJGKXOJU-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1c(Cl)cccc1Cl ZINC000026862746 564350990 /nfs/dbraw/zinc/35/09/90/564350990.db2.gz DJWMLMXYAWGAMF-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C)s2)cs1 ZINC000121052836 564351142 /nfs/dbraw/zinc/35/11/42/564351142.db2.gz TUVIIKKTRFJIDO-JTQLQIEISA-N -1 3 388.536 3.046 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@H](C)c3cccs3)nc(=O)c2c1C ZINC000027554656 564354722 /nfs/dbraw/zinc/35/47/22/564354722.db2.gz RWDGFLZNCGFPHL-SNVBAGLBSA-N -1 3 377.491 3.334 20 0 GGADHM Cc1cccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000027655245 564355810 /nfs/dbraw/zinc/35/58/10/564355810.db2.gz FPDNNPUXCNVDPL-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000028020586 564358463 /nfs/dbraw/zinc/35/84/63/564358463.db2.gz UKCKEBWHIYVEPB-UHFFFAOYSA-N -1 3 389.260 3.382 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000028199326 564360678 /nfs/dbraw/zinc/36/06/78/564360678.db2.gz CVKJAJYPHJSHMT-VXGBXAGGSA-N -1 3 393.336 3.166 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1sccc1C ZINC000028324444 564361483 /nfs/dbraw/zinc/36/14/83/564361483.db2.gz VWLREBAGUSGAQI-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Cc2ccc(Br)cc2)n[n-]1 ZINC000543761234 564362965 /nfs/dbraw/zinc/36/29/65/564362965.db2.gz AXSOYYGTPVFKMR-SNVBAGLBSA-N -1 3 380.242 3.166 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Cc2ccc(Br)cc2)[n-]n1 ZINC000543761234 564362970 /nfs/dbraw/zinc/36/29/70/564362970.db2.gz AXSOYYGTPVFKMR-SNVBAGLBSA-N -1 3 380.242 3.166 20 0 GGADHM C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(=O)NCC(F)(F)F ZINC000028633795 564363352 /nfs/dbraw/zinc/36/33/52/564363352.db2.gz SVGYXLURXLVXAC-QMMMGPOBSA-N -1 3 394.806 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000121301799 564364134 /nfs/dbraw/zinc/36/41/34/564364134.db2.gz OJYQJJUDUUPNBA-DOMZBBRYSA-N -1 3 398.937 3.432 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)c1 ZINC000121372003 564365507 /nfs/dbraw/zinc/36/55/07/564365507.db2.gz JNBDJOKKYYETPH-QGZVFWFLSA-N -1 3 381.881 3.335 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)c1 ZINC000121371839 564365730 /nfs/dbraw/zinc/36/57/30/564365730.db2.gz JNBDJOKKYYETPH-KRWDZBQOSA-N -1 3 381.881 3.335 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(-n2ccnn2)cc1 ZINC000121368773 564366106 /nfs/dbraw/zinc/36/61/06/564366106.db2.gz KDYKGIMKVPJQFD-UHFFFAOYSA-N -1 3 388.225 3.057 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000029047533 564366242 /nfs/dbraw/zinc/36/62/42/564366242.db2.gz ZUAONJHFNADYQG-UHFFFAOYSA-N -1 3 378.475 3.320 20 0 GGADHM NS(=O)(=O)c1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)cs1 ZINC000121403210 564367705 /nfs/dbraw/zinc/36/77/05/564367705.db2.gz FKUAXHWZBYKMOA-UHFFFAOYSA-N -1 3 396.437 3.144 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc2C1)c1ccc(Br)s1 ZINC000029186870 564367867 /nfs/dbraw/zinc/36/78/67/564367867.db2.gz TZCWZDFHPJZARK-JTQLQIEISA-N -1 3 388.308 3.040 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C[C@H](C)N(C4CC4)C3)s2)cs1 ZINC000121456051 564369729 /nfs/dbraw/zinc/36/97/29/564369729.db2.gz IWNCRPHQAHMPNA-CMPLNLGQSA-N -1 3 383.564 3.084 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1cc(Cl)ccc1Cl ZINC000029393802 564369693 /nfs/dbraw/zinc/36/96/93/564369693.db2.gz UNYQRZIGBWYFEN-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM O=C(Nc1ccc(I)cc1Cl)c1ccc2n[n-]nc2c1 ZINC000029371944 564370046 /nfs/dbraw/zinc/37/00/46/564370046.db2.gz BBGHZTSWKLTFMQ-UHFFFAOYSA-N -1 3 398.591 3.468 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000029394078 564370126 /nfs/dbraw/zinc/37/01/26/564370126.db2.gz LGIFWKBCGKGAJN-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(Cc1ccc(C)s1)C(C)C ZINC000121448386 564370180 /nfs/dbraw/zinc/37/01/80/564370180.db2.gz FQPGXMFJDXTSOK-UHFFFAOYSA-N -1 3 380.491 3.280 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)cc1Cl ZINC000121483955 564371410 /nfs/dbraw/zinc/37/14/10/564371410.db2.gz SEHNLYSACYINSV-CQSZACIVSA-N -1 3 390.288 3.404 20 0 GGADHM CCCCN(CC)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000029896802 564374435 /nfs/dbraw/zinc/37/44/35/564374435.db2.gz DXDSPVHABYFAKA-GFCCVEGCSA-N -1 3 380.432 3.021 20 0 GGADHM CN(C)[C@H](CNC(=O)c1cc(Br)ccc1[O-])c1cccc(F)c1 ZINC000029830490 564374459 /nfs/dbraw/zinc/37/44/59/564374459.db2.gz YKMCXPVEUZGHRL-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121594379 564376764 /nfs/dbraw/zinc/37/67/64/564376764.db2.gz QBKHBLPNJONZQA-JTQLQIEISA-N -1 3 388.536 3.048 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1Cl ZINC000121589010 564376942 /nfs/dbraw/zinc/37/69/42/564376942.db2.gz ARECQTKPUCBBAQ-UHFFFAOYSA-N -1 3 380.897 3.281 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)cc2N1 ZINC000030289376 564378161 /nfs/dbraw/zinc/37/81/61/564378161.db2.gz AISZTSBDFROPAT-UHFFFAOYSA-N -1 3 399.299 3.399 20 0 GGADHM Cc1ccccc1CC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000030322850 564379162 /nfs/dbraw/zinc/37/91/62/564379162.db2.gz FZQYIHXBDHRTOH-UHFFFAOYSA-N -1 3 378.881 3.054 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC000030378944 564379512 /nfs/dbraw/zinc/37/95/12/564379512.db2.gz VVTMXLGFBKMAOV-UHFFFAOYSA-N -1 3 375.471 3.209 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000030362023 564379578 /nfs/dbraw/zinc/37/95/78/564379578.db2.gz GEVXSPHGVRILQT-INIZCTEOSA-N -1 3 382.888 3.422 20 0 GGADHM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1cccc(Cl)c1Cl ZINC000030361542 564379978 /nfs/dbraw/zinc/37/99/78/564379978.db2.gz DVMVXQGRHAZPOU-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000030361526 564380009 /nfs/dbraw/zinc/38/00/09/564380009.db2.gz AUFVPSURPSHJBI-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1cccc2ccccc21 ZINC000030430372 564380334 /nfs/dbraw/zinc/38/03/34/564380334.db2.gz UOFUIXHTSGTTAP-UHFFFAOYSA-N -1 3 375.471 3.209 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccccc2Cl)CC1 ZINC000121710911 564382774 /nfs/dbraw/zinc/38/27/74/564382774.db2.gz UBHDUBLXCBBIMS-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM O=C([N-]c1nc2c(s1)CCCC2)c1sccc1S(=O)(=O)N1CCCC1 ZINC000030675097 564383259 /nfs/dbraw/zinc/38/32/59/564383259.db2.gz WVXWVTNQXOEYAC-UHFFFAOYSA-N -1 3 397.547 3.120 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000030674606 564383592 /nfs/dbraw/zinc/38/35/92/564383592.db2.gz WITKEROREZRHDH-OIBJUYFYSA-N -1 3 386.704 3.337 20 0 GGADHM CC(C)c1ccc(CN(C)C(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000030656563 564383690 /nfs/dbraw/zinc/38/36/90/564383690.db2.gz NFTHKOHRIGGPFG-UHFFFAOYSA-N -1 3 380.535 3.199 20 0 GGADHM Cc1csc(-c2cccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c2)n1 ZINC000121728902 564383728 /nfs/dbraw/zinc/38/37/28/564383728.db2.gz SOAIPIVEPVOJHL-AWEZNQCLSA-N -1 3 381.523 3.021 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccs1 ZINC000030772361 564384308 /nfs/dbraw/zinc/38/43/08/564384308.db2.gz QGEUIRQAEAOHOX-UHFFFAOYSA-N -1 3 391.440 3.109 20 0 GGADHM O=S(=O)([N-]CC1CCC1)c1ccc(Br)cc1Br ZINC000037575105 564421545 /nfs/dbraw/zinc/42/15/45/564421545.db2.gz PQXAIFMCXRGRHM-UHFFFAOYSA-N -1 3 383.105 3.290 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)s1 ZINC000031071812 564386334 /nfs/dbraw/zinc/38/63/34/564386334.db2.gz TWYIXIPJHMBGFX-QGZVFWFLSA-N -1 3 384.498 3.199 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000121824445 564388819 /nfs/dbraw/zinc/38/88/19/564388819.db2.gz ZBUKBOVJZJIDTL-UHFFFAOYSA-N -1 3 395.836 3.213 20 0 GGADHM CSc1ccc([C@@H](C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000031695688 564390973 /nfs/dbraw/zinc/39/09/73/564390973.db2.gz SUNJXMWZABHTMN-GFCCVEGCSA-N -1 3 384.548 3.016 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000031761610 564392330 /nfs/dbraw/zinc/39/23/30/564392330.db2.gz ZRPMJGSPWAJPHD-UHFFFAOYSA-N -1 3 377.809 3.419 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)COc2ccc(F)c(Cl)c2)ccc1F ZINC000032002192 564394255 /nfs/dbraw/zinc/39/42/55/564394255.db2.gz QOCKHQOPFNLLBF-UHFFFAOYSA-N -1 3 390.795 3.007 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1Br ZINC000031932022 564394481 /nfs/dbraw/zinc/39/44/81/564394481.db2.gz MSAOSSIUORYNFA-VIFPVBQESA-N -1 3 375.226 3.220 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000031940994 564394982 /nfs/dbraw/zinc/39/49/82/564394982.db2.gz KCZQXURWMITZKB-OAHLLOKOSA-N -1 3 398.937 3.434 20 0 GGADHM CC(C)C[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000121976721 564395351 /nfs/dbraw/zinc/39/53/51/564395351.db2.gz KASDGLQMYJOPSW-LBPRGKRZSA-N -1 3 386.564 3.453 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)sc1Br ZINC000122028799 564397117 /nfs/dbraw/zinc/39/71/17/564397117.db2.gz QRQBXAHMZQWIKU-QMMMGPOBSA-N -1 3 379.301 3.463 20 0 GGADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1F ZINC000032411795 564398690 /nfs/dbraw/zinc/39/86/90/564398690.db2.gz KPKVIJZZORGSEJ-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CN(C)Cc1cccc(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000122083485 564399239 /nfs/dbraw/zinc/39/92/39/564399239.db2.gz VUXHNQQYKIYTMU-UHFFFAOYSA-N -1 3 382.247 3.338 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)cc1OC ZINC000032444985 564400317 /nfs/dbraw/zinc/40/03/17/564400317.db2.gz KXJTWGVCYRGPKU-ZDUSSCGKSA-N -1 3 383.466 3.358 20 0 GGADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000032473509 564401865 /nfs/dbraw/zinc/40/18/65/564401865.db2.gz AKZUBTMAOUGYGN-JGVFFNPUSA-N -1 3 383.105 3.146 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1C ZINC000032589002 564402192 /nfs/dbraw/zinc/40/21/92/564402192.db2.gz HSZKWDAEIMTHPX-UHFFFAOYSA-N -1 3 378.475 3.239 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(F)cc1F ZINC000032590220 564402797 /nfs/dbraw/zinc/40/27/97/564402797.db2.gz LHOSPXILGZOKDC-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000032689471 564404333 /nfs/dbraw/zinc/40/43/33/564404333.db2.gz DKSKBQZDANMCPL-VIFPVBQESA-N -1 3 393.317 3.211 20 0 GGADHM Cc1ccc(-c2ncc(CNCC[N-]S(=O)(=O)c3cccs3)s2)cc1 ZINC000122201716 564404566 /nfs/dbraw/zinc/40/45/66/564404566.db2.gz LHCQIFGABRJQNR-UHFFFAOYSA-N -1 3 393.559 3.248 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)C[N-]S(=O)(=O)c3cccs3)c2)cs1 ZINC000032702424 564404767 /nfs/dbraw/zinc/40/47/67/564404767.db2.gz QOVRAQJNYVUABO-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM Cc1cc(CNCC[N-]S(=O)(=O)c2cccs2)c(OC(F)F)cc1C ZINC000122238528 564406047 /nfs/dbraw/zinc/40/60/47/564406047.db2.gz JMLPDOFDTVUHQL-UHFFFAOYSA-N -1 3 390.477 3.034 20 0 GGADHM O=S(=O)([N-]CCNCc1c(Cl)cccc1OC(F)F)c1cccs1 ZINC000122262224 564407120 /nfs/dbraw/zinc/40/71/20/564407120.db2.gz YFWWTMWOBAQDDA-UHFFFAOYSA-N -1 3 396.868 3.071 20 0 GGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000032965504 564408581 /nfs/dbraw/zinc/40/85/81/564408581.db2.gz RQESOKDLWWONSK-GFCCVEGCSA-N -1 3 382.869 3.426 20 0 GGADHM Cc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c([O-])c1C ZINC000122350046 564409763 /nfs/dbraw/zinc/40/97/63/564409763.db2.gz UALURXXMCALHGE-UHFFFAOYSA-N -1 3 391.265 3.482 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000033593621 564413206 /nfs/dbraw/zinc/41/32/06/564413206.db2.gz TUWJOWCXNLQABQ-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)cc1OC ZINC000122427127 564413779 /nfs/dbraw/zinc/41/37/79/564413779.db2.gz FQSDEVVHGFYVFY-UHFFFAOYSA-N -1 3 388.486 3.130 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Br)cc1 ZINC000034292338 564414221 /nfs/dbraw/zinc/41/42/21/564414221.db2.gz LQLFFKNEKKAESD-VIFPVBQESA-N -1 3 388.221 3.215 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000033875376 564414263 /nfs/dbraw/zinc/41/42/63/564414263.db2.gz XQDXEFNDMYMXST-UHFFFAOYSA-N -1 3 377.796 3.429 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000036078208 564416405 /nfs/dbraw/zinc/41/64/05/564416405.db2.gz FOGUCKLZQHGDST-GFCCVEGCSA-N -1 3 389.340 3.092 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl ZINC000036723224 564418246 /nfs/dbraw/zinc/41/82/46/564418246.db2.gz UAMGIUJLCAEDFR-UHFFFAOYSA-N -1 3 388.272 3.286 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCC1 ZINC000122555015 564419260 /nfs/dbraw/zinc/41/92/60/564419260.db2.gz FCAOWRRYDWCAID-UHFFFAOYSA-N -1 3 382.345 3.386 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000037388896 564420628 /nfs/dbraw/zinc/42/06/28/564420628.db2.gz XKOLKJHRCQYIQG-ZETCQYMHSA-N -1 3 383.105 3.288 20 0 GGADHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000038012183 564422609 /nfs/dbraw/zinc/42/26/09/564422609.db2.gz VPGHXKQZAAJWGC-UHFFFAOYSA-N -1 3 399.097 3.266 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000122706463 564424138 /nfs/dbraw/zinc/42/41/38/564424138.db2.gz BZJUEJRJWKTWOR-UHFFFAOYSA-N -1 3 383.825 3.490 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1ccccc1Cl)N(C)C ZINC000038630773 564424205 /nfs/dbraw/zinc/42/42/05/564424205.db2.gz IJBZRZXIKWXCJF-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(F)(F)F ZINC000040105654 564426438 /nfs/dbraw/zinc/42/64/38/564426438.db2.gz QCZRWHIIWMDQDC-UHFFFAOYSA-N -1 3 379.231 3.156 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1ccc(F)c(F)c1 ZINC000041065336 564429018 /nfs/dbraw/zinc/42/90/18/564429018.db2.gz UWEAMFDKZVPVMU-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1ccc(F)cc1F ZINC000041065317 564429360 /nfs/dbraw/zinc/42/93/60/564429360.db2.gz DUOPHAFLYAJEEA-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CCCCC1 ZINC000122876222 564430327 /nfs/dbraw/zinc/43/03/27/564430327.db2.gz KZZYHZVBGQMUFK-UHFFFAOYSA-N -1 3 378.416 3.436 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3COc4ccc(Br)cc43)[n-]2)o1 ZINC000123009758 564435334 /nfs/dbraw/zinc/43/53/34/564435334.db2.gz MHHPLBKFNRGCPW-NSHDSACASA-N -1 3 389.209 3.250 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3COc4ccc(Br)cc43)n2)o1 ZINC000123009758 564435339 /nfs/dbraw/zinc/43/53/39/564435339.db2.gz MHHPLBKFNRGCPW-NSHDSACASA-N -1 3 389.209 3.250 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3COc4ccc(Br)cc43)n[n-]2)o1 ZINC000123009758 564435341 /nfs/dbraw/zinc/43/53/41/564435341.db2.gz MHHPLBKFNRGCPW-NSHDSACASA-N -1 3 389.209 3.250 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccc(Br)cc43)[n-]2)o1 ZINC000123009540 564435755 /nfs/dbraw/zinc/43/57/55/564435755.db2.gz MHHPLBKFNRGCPW-LLVKDONJSA-N -1 3 389.209 3.250 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3COc4ccc(Br)cc43)n2)o1 ZINC000123009540 564435758 /nfs/dbraw/zinc/43/57/58/564435758.db2.gz MHHPLBKFNRGCPW-LLVKDONJSA-N -1 3 389.209 3.250 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3COc4ccc(Br)cc43)n[n-]2)o1 ZINC000123009540 564435761 /nfs/dbraw/zinc/43/57/61/564435761.db2.gz MHHPLBKFNRGCPW-LLVKDONJSA-N -1 3 389.209 3.250 20 0 GGADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC000041850560 564438337 /nfs/dbraw/zinc/43/83/37/564438337.db2.gz CTAWXGMICRWNAY-UHFFFAOYSA-N -1 3 392.424 3.382 20 0 GGADHM CCc1ccc([C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000042026321 564439827 /nfs/dbraw/zinc/43/98/27/564439827.db2.gz TXGMLAMOUOOAFR-GOSISDBHSA-N -1 3 380.535 3.102 20 0 GGADHM CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000042026674 564440797 /nfs/dbraw/zinc/44/07/97/564440797.db2.gz IPYOYENWKFQEIZ-INIZCTEOSA-N -1 3 386.926 3.193 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(Br)c1 ZINC000042091318 564441587 /nfs/dbraw/zinc/44/15/87/564441587.db2.gz GTOWELVUGZUHHM-UHFFFAOYSA-N -1 3 399.248 3.084 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000123405677 564447507 /nfs/dbraw/zinc/44/75/07/564447507.db2.gz JSFASYBQWZAMFZ-GOEBONIOSA-N -1 3 380.535 3.088 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1F ZINC000042631088 564448039 /nfs/dbraw/zinc/44/80/39/564448039.db2.gz IBPSPVXCCWZZHJ-UHFFFAOYSA-N -1 3 391.251 3.440 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000123406073 564447996 /nfs/dbraw/zinc/44/79/96/564447996.db2.gz JSFASYBQWZAMFZ-HOCLYGCPSA-N -1 3 380.535 3.088 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000123414146 564448137 /nfs/dbraw/zinc/44/81/37/564448137.db2.gz OWDJGPSTLNHQMJ-SECBINFHSA-N -1 3 399.881 3.500 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccs1 ZINC000123565016 564453917 /nfs/dbraw/zinc/45/39/17/564453917.db2.gz ZQSVIJGAQGJUPZ-CYBMUJFWSA-N -1 3 391.873 3.264 20 0 GGADHM Cc1sc(C(=O)[N-]c2nc(-c3ccccc3)ns2)cc1CS(C)(=O)=O ZINC000123654126 564457381 /nfs/dbraw/zinc/45/73/81/564457381.db2.gz IGKDYROMHFPLDN-UHFFFAOYSA-N -1 3 393.515 3.372 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(I)cc2C)on1 ZINC000123749643 564460473 /nfs/dbraw/zinc/46/04/73/564460473.db2.gz BBSPUKJGAKHPNP-JTQLQIEISA-N -1 3 385.205 3.335 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(I)cc2C)on1 ZINC000123749872 564460633 /nfs/dbraw/zinc/46/06/33/564460633.db2.gz BBSPUKJGAKHPNP-SNVBAGLBSA-N -1 3 385.205 3.335 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000123825442 564462490 /nfs/dbraw/zinc/46/24/90/564462490.db2.gz FRVHVVDFHTXWOB-SNVBAGLBSA-N -1 3 384.723 3.180 20 0 GGADHM CCOc1cc(/C=C2/CCc3c(cnn3C)C2=O)cc(Br)c1[O-] ZINC000044027448 564463585 /nfs/dbraw/zinc/46/35/85/564463585.db2.gz KHMIDABWQPELPA-WDZFZDKYSA-N -1 3 377.238 3.499 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc2cc(Br)ccc2o1 ZINC000123868356 564464374 /nfs/dbraw/zinc/46/43/74/564464374.db2.gz BKAKICZDWRUTBW-UHFFFAOYSA-N -1 3 396.222 3.476 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1c(F)cccc1F ZINC000044244218 564465054 /nfs/dbraw/zinc/46/50/54/564465054.db2.gz KYLJQASVVAKDIP-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(F)cc1Cl ZINC000044324575 564466768 /nfs/dbraw/zinc/46/67/68/564466768.db2.gz JNCAKVBQVJKRJD-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccs1 ZINC000044327007 564467246 /nfs/dbraw/zinc/46/72/46/564467246.db2.gz XAPHMRCSCJKLSJ-LLVKDONJSA-N -1 3 377.846 3.123 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CN1C1CC1 ZINC000124021285 564469223 /nfs/dbraw/zinc/46/92/23/564469223.db2.gz LTAWEZSGZROECK-UWVGGRQHSA-N -1 3 382.835 3.262 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCn3nc(C(C)C)nc32)c(Cl)cc1F ZINC000124207893 564475039 /nfs/dbraw/zinc/47/50/39/564475039.db2.gz HMDMCWBHGZECRF-CYBMUJFWSA-N -1 3 386.880 3.316 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)c(Cl)c1Cl ZINC000124215377 564475420 /nfs/dbraw/zinc/47/54/20/564475420.db2.gz OMIAAQLLCWFYFL-NSHDSACASA-N -1 3 384.325 3.325 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1ccccc1OC(F)(F)F ZINC000124255931 564475862 /nfs/dbraw/zinc/47/58/62/564475862.db2.gz WUJOYFGREFJDQR-UHFFFAOYSA-N -1 3 381.397 3.176 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000124245138 564475963 /nfs/dbraw/zinc/47/59/63/564475963.db2.gz PMHOENUJDIDXEW-UHFFFAOYSA-N -1 3 382.295 3.055 20 0 GGADHM CCc1cccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1[O-] ZINC000124276423 564476921 /nfs/dbraw/zinc/47/69/21/564476921.db2.gz WQAOYTBXBBAGLA-HNNXBMFYSA-N -1 3 379.865 3.209 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000124312539 564478221 /nfs/dbraw/zinc/47/82/21/564478221.db2.gz RXMHZBANGLZIEQ-UHFFFAOYSA-N -1 3 381.192 3.368 20 0 GGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000124316626 564478757 /nfs/dbraw/zinc/47/87/57/564478757.db2.gz OQTOZTUBQYFPRS-UHFFFAOYSA-N -1 3 375.226 3.375 20 0 GGADHM O=C(NCCc1ccc(F)cc1F)NCc1ccc([O-])c(Br)c1 ZINC000124339482 564478875 /nfs/dbraw/zinc/47/88/75/564478875.db2.gz LWNXBLKJNCIEMZ-UHFFFAOYSA-N -1 3 385.208 3.475 20 0 GGADHM C[C@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000045204614 564479831 /nfs/dbraw/zinc/47/98/31/564479831.db2.gz MZIBYRNQTDFSHE-NWDGAFQWSA-N -1 3 393.336 3.357 20 0 GGADHM Cc1cc(N2C[C@H](C(=O)Nc3ccccc3[O-])CC2=O)ccc1Br ZINC000045547518 564485211 /nfs/dbraw/zinc/48/52/11/564485211.db2.gz FAIXMEOTUAQVDX-GFCCVEGCSA-N -1 3 389.249 3.455 20 0 GGADHM C[C@@H](Sc1ncnc2ccsc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000045605288 564486108 /nfs/dbraw/zinc/48/61/08/564486108.db2.gz JSSSCQPWCUNLRA-SNVBAGLBSA-N -1 3 393.515 3.426 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccsc1 ZINC000045809684 564489485 /nfs/dbraw/zinc/48/94/85/564489485.db2.gz VKFXEADQXBUCET-CYBMUJFWSA-N -1 3 378.441 3.348 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1Br ZINC000124672359 564489686 /nfs/dbraw/zinc/48/96/86/564489686.db2.gz PSKKFQYAXWMYRF-JTQLQIEISA-N -1 3 390.324 3.429 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)c([O-])c1 ZINC000124794423 564493139 /nfs/dbraw/zinc/49/31/39/564493139.db2.gz DYQFVERLRTXXJM-UHFFFAOYSA-N -1 3 396.241 3.430 20 0 GGADHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 ZINC000046294152 564500501 /nfs/dbraw/zinc/50/05/01/564500501.db2.gz WWJZANNTNQGRPT-JTQLQIEISA-N -1 3 390.889 3.086 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000125032407 564501076 /nfs/dbraw/zinc/50/10/76/564501076.db2.gz OZKKYDMGLAFCBL-UHFFFAOYSA-N -1 3 382.345 3.386 20 0 GGADHM O=S(=O)(Cc1nc(-c2c(F)cccc2F)cs1)c1nc(C2CC2)n[n-]1 ZINC000125074341 564501961 /nfs/dbraw/zinc/50/19/61/564501961.db2.gz JVDYYEWZORNKGO-UHFFFAOYSA-N -1 3 382.417 3.058 20 0 GGADHM O=S(=O)(Cc1nc(-c2c(F)cccc2F)cs1)c1nnc(C2CC2)[n-]1 ZINC000125074341 564501964 /nfs/dbraw/zinc/50/19/64/564501964.db2.gz JVDYYEWZORNKGO-UHFFFAOYSA-N -1 3 382.417 3.058 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000046409108 564502680 /nfs/dbraw/zinc/50/26/80/564502680.db2.gz RPHQOVDBFMVJDN-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000046409206 564502832 /nfs/dbraw/zinc/50/28/32/564502832.db2.gz TYHMCDQQUJNJKI-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000046409205 564502973 /nfs/dbraw/zinc/50/29/73/564502973.db2.gz MYIRLNSAWHGRIF-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)ccc12 ZINC000125150577 564504420 /nfs/dbraw/zinc/50/44/20/564504420.db2.gz ICRFLNSEXKZWDC-UHFFFAOYSA-N -1 3 398.893 3.190 20 0 GGADHM COc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c([O-])c1 ZINC000046645914 564505435 /nfs/dbraw/zinc/50/54/35/564505435.db2.gz QJFPZJXOGUDFHS-UHFFFAOYSA-N -1 3 382.247 3.065 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000046851275 564508908 /nfs/dbraw/zinc/50/89/08/564508908.db2.gz KRZNRBDBJPCQFM-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000125284823 564509096 /nfs/dbraw/zinc/50/90/96/564509096.db2.gz BNQZIKMVSDRLPM-GFCCVEGCSA-N -1 3 386.267 3.407 20 0 GGADHM Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000046851513 564509157 /nfs/dbraw/zinc/50/91/57/564509157.db2.gz CXZDDQCLZWDCIC-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCC1 ZINC000125311418 564510044 /nfs/dbraw/zinc/51/00/44/564510044.db2.gz DASKYWRGECVRDG-UHFFFAOYSA-N -1 3 382.309 3.487 20 0 GGADHM Cc1c([C@@H](C)NC(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cnn1C ZINC000047007155 564511109 /nfs/dbraw/zinc/51/11/09/564511109.db2.gz WXEUPWSEQMSPQE-SSDOTTSWSA-N -1 3 376.770 3.183 20 0 GGADHM O=C(CNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)[N-]CC(F)(F)F ZINC000047179674 564515586 /nfs/dbraw/zinc/51/55/86/564515586.db2.gz XUWCMKSUBJRQOP-UHFFFAOYSA-N -1 3 398.983 3.104 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1ccccc1C(F)(F)F ZINC000125588525 564519408 /nfs/dbraw/zinc/51/94/08/564519408.db2.gz OWKBOJJZAUYJTN-UHFFFAOYSA-N -1 3 380.775 3.111 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000047407108 564519860 /nfs/dbraw/zinc/51/98/60/564519860.db2.gz IHFQMUGVZOFDEI-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1cc(Cl)ccc1Cl ZINC000047407011 564520220 /nfs/dbraw/zinc/52/02/20/564520220.db2.gz YUSSLWIIUJSKRO-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)c1C ZINC000125611510 564521066 /nfs/dbraw/zinc/52/10/66/564521066.db2.gz KGWYOOMNRVZRGH-MRXNPFEDSA-N -1 3 378.519 3.007 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ncc(C)s1 ZINC000125653062 564521213 /nfs/dbraw/zinc/52/12/13/564521213.db2.gz XFWFTDCZNUTRLE-JTQLQIEISA-N -1 3 396.515 3.492 20 0 GGADHM O=C(COc1ccc(Br)cc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000047471451 564521574 /nfs/dbraw/zinc/52/15/74/564521574.db2.gz NETGOIMFMWZLBK-UHFFFAOYSA-N -1 3 399.554 3.257 20 0 GGADHM O=C(COc1ccc(Br)cc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000047471451 564521579 /nfs/dbraw/zinc/52/15/79/564521579.db2.gz NETGOIMFMWZLBK-UHFFFAOYSA-N -1 3 399.554 3.257 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2nnc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC000125642728 564521902 /nfs/dbraw/zinc/52/19/02/564521902.db2.gz PXKLBZKFRAOUTM-UHFFFAOYSA-N -1 3 387.248 3.303 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000125642728 564521906 /nfs/dbraw/zinc/52/19/06/564521906.db2.gz PXKLBZKFRAOUTM-UHFFFAOYSA-N -1 3 387.248 3.303 20 0 GGADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1ccc(Br)s1 ZINC000125695402 564523708 /nfs/dbraw/zinc/52/37/08/564523708.db2.gz XJWAIECTRUSWIW-UHFFFAOYSA-N -1 3 390.328 3.301 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000125731412 564524850 /nfs/dbraw/zinc/52/48/50/564524850.db2.gz WOGBGVSKLHGNRG-HNNXBMFYSA-N -1 3 378.222 3.074 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000047668743 564525241 /nfs/dbraw/zinc/52/52/41/564525241.db2.gz PJMGQCPAHUOIDP-UHFFFAOYSA-N -1 3 376.309 3.484 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000047668882 564525347 /nfs/dbraw/zinc/52/53/47/564525347.db2.gz XQAHWPLTYCKEOU-UHFFFAOYSA-N -1 3 381.807 3.232 20 0 GGADHM O=C(CCCNC(=O)c1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000125976528 564533263 /nfs/dbraw/zinc/53/32/63/564533263.db2.gz OMOFKQCBPXKLOH-UHFFFAOYSA-N -1 3 377.238 3.303 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000048345541 564537088 /nfs/dbraw/zinc/53/70/88/564537088.db2.gz IXVVDIVLVODDRM-ZDUSSCGKSA-N -1 3 375.222 3.146 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000048345543 564537231 /nfs/dbraw/zinc/53/72/31/564537231.db2.gz IXVVDIVLVODDRM-CYBMUJFWSA-N -1 3 375.222 3.146 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@H](c2ccco2)C1 ZINC000126147357 564538728 /nfs/dbraw/zinc/53/87/28/564538728.db2.gz ACQQTZSPPCMQBZ-HNNXBMFYSA-N -1 3 381.226 3.031 20 0 GGADHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000048440408 564539563 /nfs/dbraw/zinc/53/95/63/564539563.db2.gz RMFWLNOWEOLDCK-UHFFFAOYSA-N -1 3 381.361 3.052 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000126185391 564539722 /nfs/dbraw/zinc/53/97/22/564539722.db2.gz GNXFDMCVXBZRTN-SSDOTTSWSA-N -1 3 377.164 3.403 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000126185391 564539724 /nfs/dbraw/zinc/53/97/24/564539724.db2.gz GNXFDMCVXBZRTN-SSDOTTSWSA-N -1 3 377.164 3.403 20 0 GGADHM COc1ccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1O ZINC000126192888 564539909 /nfs/dbraw/zinc/53/99/09/564539909.db2.gz SSAPHSMTXBGOKZ-UHFFFAOYSA-N -1 3 395.253 3.211 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Br)c1cccs1 ZINC000048443753 564540410 /nfs/dbraw/zinc/54/04/10/564540410.db2.gz RPQZOYUOIWOCLA-JTQLQIEISA-N -1 3 395.369 3.153 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1sccc1Br)c1cccs1 ZINC000048443755 564540555 /nfs/dbraw/zinc/54/05/55/564540555.db2.gz RPQZOYUOIWOCLA-SNVBAGLBSA-N -1 3 395.369 3.153 20 0 GGADHM O=C(NCCCCNc1ccccn1)NCc1ccc([O-])c(Br)c1 ZINC000126224724 564540667 /nfs/dbraw/zinc/54/06/67/564540667.db2.gz VMOZOKOFZTZYFG-UHFFFAOYSA-N -1 3 393.285 3.241 20 0 GGADHM CN(Cc1nccn1C(F)F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126242490 564542179 /nfs/dbraw/zinc/54/21/79/564542179.db2.gz BPBCWSFEEIIPFV-UHFFFAOYSA-N -1 3 389.200 3.088 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)Cc1ccsc1 ZINC000048554803 564542373 /nfs/dbraw/zinc/54/23/73/564542373.db2.gz BWMJBKXPZMIVSY-SNVBAGLBSA-N -1 3 390.324 3.429 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000126252795 564542495 /nfs/dbraw/zinc/54/24/95/564542495.db2.gz OAUCVKUVPWTCCL-KOLCDFICSA-N -1 3 382.835 3.262 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)s1 ZINC000126258424 564542660 /nfs/dbraw/zinc/54/26/60/564542660.db2.gz BRIMUOWXAGUNBS-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2ccccc2CC1 ZINC000126288925 564543763 /nfs/dbraw/zinc/54/37/63/564543763.db2.gz OEFMLQJZKZYAGD-UHFFFAOYSA-N -1 3 375.266 3.465 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCN(c2cccs2)CC1 ZINC000126329611 564546000 /nfs/dbraw/zinc/54/60/00/564546000.db2.gz AAGVHCQGMBUHDH-UHFFFAOYSA-N -1 3 396.310 3.248 20 0 GGADHM C[C@H]1Oc2c(cccc2C(=O)Nc2cc(Br)ccc2[O-])NC1=O ZINC000126437405 564549126 /nfs/dbraw/zinc/54/91/26/564549126.db2.gz YQEJWULKOJAOPF-MRVPVSSYSA-N -1 3 377.194 3.126 20 0 GGADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000049239441 564549464 /nfs/dbraw/zinc/54/94/64/564549464.db2.gz YYQHGLWVEPXTBN-HTQZYQBOSA-N -1 3 383.105 3.146 20 0 GGADHM C[C@@H]1Oc2c(cccc2C(=O)Nc2cc(Br)ccc2[O-])NC1=O ZINC000126437654 564549593 /nfs/dbraw/zinc/54/95/93/564549593.db2.gz YQEJWULKOJAOPF-QMMMGPOBSA-N -1 3 377.194 3.126 20 0 GGADHM CN1CCC(=O)Nc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc21 ZINC000126466800 564550261 /nfs/dbraw/zinc/55/02/61/564550261.db2.gz JELYYUJRVHIYCZ-UHFFFAOYSA-N -1 3 390.237 3.185 20 0 GGADHM Cc1ccccc1[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(N)=O ZINC000126484709 564550344 /nfs/dbraw/zinc/55/03/44/564550344.db2.gz ACJCOSWOCLTZFG-CYBMUJFWSA-N -1 3 392.253 3.201 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1F)C(C)C ZINC000126471274 564550402 /nfs/dbraw/zinc/55/04/02/564550402.db2.gz AZEMSEXZAGRHIS-CQSZACIVSA-N -1 3 389.445 3.489 20 0 GGADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])n1nnc(-c2ccccc2)n1 ZINC000126538290 564552615 /nfs/dbraw/zinc/55/26/15/564552615.db2.gz FBEJHLWHEYHTSH-JTQLQIEISA-N -1 3 388.225 3.008 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594319 564554117 /nfs/dbraw/zinc/55/41/17/564554117.db2.gz XZVFRTSXNRAFDX-QWHCGFSZSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594319 564554121 /nfs/dbraw/zinc/55/41/21/564554121.db2.gz XZVFRTSXNRAFDX-QWHCGFSZSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594319 564554126 /nfs/dbraw/zinc/55/41/26/564554126.db2.gz XZVFRTSXNRAFDX-QWHCGFSZSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(N2CCNC2=O)ccc1F ZINC000126578124 564554667 /nfs/dbraw/zinc/55/46/67/564554667.db2.gz BBYRFKBTDCNIBH-UHFFFAOYSA-N -1 3 394.200 3.076 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000126689794 564558113 /nfs/dbraw/zinc/55/81/13/564558113.db2.gz QAQCBPZVOWRURW-ZDUSSCGKSA-N -1 3 389.249 3.142 20 0 GGADHM O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1cc(Br)ccc1[O-] ZINC000126696219 564558308 /nfs/dbraw/zinc/55/83/08/564558308.db2.gz WEYYOEUDHJVOKP-UHFFFAOYSA-N -1 3 389.249 3.012 20 0 GGADHM C[C@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(=O)c1ccccc1 ZINC000126690244 564558356 /nfs/dbraw/zinc/55/83/56/564558356.db2.gz CBIQKOLPEZRULU-LLVKDONJSA-N -1 3 377.238 3.302 20 0 GGADHM O=C([N-]c1nccn1Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000126773154 564562027 /nfs/dbraw/zinc/56/20/27/564562027.db2.gz ACTPLZMJSCVXOH-UHFFFAOYSA-N -1 3 399.248 3.271 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1ccc(Br)cc1Cl ZINC000051163114 564562218 /nfs/dbraw/zinc/56/22/18/564562218.db2.gz NBGNACLPFGZEHF-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM CCc1[nH]nc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1Br ZINC000483330254 564564754 /nfs/dbraw/zinc/56/47/54/564564754.db2.gz JDTGFJSULWBULM-UHFFFAOYSA-N -1 3 375.226 3.137 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3Br)c2)n1 ZINC000126905239 564566773 /nfs/dbraw/zinc/56/67/73/564566773.db2.gz NCOLIFYHVZQGMA-UHFFFAOYSA-N -1 3 399.248 3.409 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1 ZINC000052025268 564567830 /nfs/dbraw/zinc/56/78/30/564567830.db2.gz XFAZEZUNQGSHLX-UHFFFAOYSA-N -1 3 381.519 3.373 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)c(C)c1 ZINC000052025310 564568361 /nfs/dbraw/zinc/56/83/61/564568361.db2.gz FGMACEWGRHOKOG-UHFFFAOYSA-N -1 3 381.519 3.427 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1cncc(Br)c1 ZINC000053161225 564582154 /nfs/dbraw/zinc/58/21/54/564582154.db2.gz UXKKMHIFBIXUTK-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM O=c1[n-]c(CN2CCN(c3ncc(Cl)cc3Cl)CC2)nc2ccsc21 ZINC000053089559 564582326 /nfs/dbraw/zinc/58/23/26/564582326.db2.gz WZLFGTPZDUHMSN-UHFFFAOYSA-N -1 3 396.303 3.009 20 0 GGADHM CC(C)(C(=O)Nc1ccccc1[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000127481793 564585161 /nfs/dbraw/zinc/58/51/61/564585161.db2.gz OMTABTWFRXBQEM-UHFFFAOYSA-N -1 3 398.278 3.346 20 0 GGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742824 564594144 /nfs/dbraw/zinc/59/41/44/564594144.db2.gz JXACDQKUWBKGES-LBPRGKRZSA-N -1 3 378.881 3.072 20 0 GGADHM O=C([N-]c1nc2c(s1)CCC2)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000053835564 564594839 /nfs/dbraw/zinc/59/48/39/564594839.db2.gz URAWVNCGEIMCDD-UHFFFAOYSA-N -1 3 397.547 3.120 20 0 GGADHM CC(C)c1ccsc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127762204 564595425 /nfs/dbraw/zinc/59/54/25/564595425.db2.gz RNADEPHOHJMEHS-UHFFFAOYSA-N -1 3 392.955 3.295 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1CO ZINC000054040859 564597727 /nfs/dbraw/zinc/59/77/27/564597727.db2.gz JBKRLMXNVCHYPS-UHFFFAOYSA-N -1 3 386.267 3.141 20 0 GGADHM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(Br)cc2[O-])n[nH]1 ZINC000127918774 564600958 /nfs/dbraw/zinc/60/09/58/564600958.db2.gz NCXXRKZTNZLVBM-UHFFFAOYSA-N -1 3 390.241 3.147 20 0 GGADHM Cc1ccc(NC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000054209365 564601794 /nfs/dbraw/zinc/60/17/94/564601794.db2.gz FCYCISICDNBPNK-UHFFFAOYSA-N -1 3 379.507 3.031 20 0 GGADHM CCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000127945843 564601889 /nfs/dbraw/zinc/60/18/89/564601889.db2.gz RGEKPXWVFAREAW-SNVBAGLBSA-N -1 3 388.287 3.280 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1cccc(Cl)c1Cl ZINC000054798218 564609246 /nfs/dbraw/zinc/60/92/46/564609246.db2.gz LKXOYWIUAITLRN-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(-c3cccs3)nc2C)s1 ZINC000128293213 564614212 /nfs/dbraw/zinc/61/42/12/564614212.db2.gz YMLXCHMDXGCRCD-UHFFFAOYSA-N -1 3 394.503 3.389 20 0 GGADHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3c(F)cc(F)cc3F)sc2c1 ZINC000128289686 564614691 /nfs/dbraw/zinc/61/46/91/564614691.db2.gz DJURXFCITNANDZ-UHFFFAOYSA-N -1 3 386.376 3.369 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000055276842 564618408 /nfs/dbraw/zinc/61/84/08/564618408.db2.gz WMJAAYJRMDMZGH-UHFFFAOYSA-N -1 3 378.947 3.107 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)c(Br)c2)c1 ZINC000055318551 564618944 /nfs/dbraw/zinc/61/89/44/564618944.db2.gz SQWLGBCFSDKMIO-UHFFFAOYSA-N -1 3 395.228 3.225 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000055502739 564622501 /nfs/dbraw/zinc/62/25/01/564622501.db2.gz UHIYIPAGEQAFJE-PWSUYJOCSA-N -1 3 377.535 3.260 20 0 GGADHM C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CSCC3 ZINC000055503785 564622729 /nfs/dbraw/zinc/62/27/29/564622729.db2.gz VBDUQYCUBMRFFP-JQWIXIFHSA-N -1 3 377.535 3.011 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000128581132 564622915 /nfs/dbraw/zinc/62/29/15/564622915.db2.gz HFPUAYGVJWSVSE-SECBINFHSA-N -1 3 382.258 3.190 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1 ZINC000055546802 564623246 /nfs/dbraw/zinc/62/32/46/564623246.db2.gz DDXMBDKWOPWYSD-UHFFFAOYSA-N -1 3 382.507 3.093 20 0 GGADHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000055588141 564625780 /nfs/dbraw/zinc/62/57/80/564625780.db2.gz ZUSPBJQXWZOXFW-UHFFFAOYSA-N -1 3 395.289 3.166 20 0 GGADHM O=C(c1cc(Br)ccc1[O-])N1CCN(CCc2cccs2)CC1 ZINC000055642621 564627347 /nfs/dbraw/zinc/62/73/47/564627347.db2.gz DPGHHXUXTGLMNM-UHFFFAOYSA-N -1 3 395.322 3.217 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2Cl)s1 ZINC000128757203 564628201 /nfs/dbraw/zinc/62/82/01/564628201.db2.gz LPLHQKNGLANBEB-SECBINFHSA-N -1 3 390.889 3.216 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000055731111 564630167 /nfs/dbraw/zinc/63/01/67/564630167.db2.gz GTQVQDQTEFQLEQ-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056059164 564638558 /nfs/dbraw/zinc/63/85/58/564638558.db2.gz XUNHRHOHKNKASJ-VIFPVBQESA-N -1 3 378.397 3.072 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129142240 564639790 /nfs/dbraw/zinc/63/97/90/564639790.db2.gz AREOQBGKWFYASD-HNNXBMFYSA-N -1 3 378.416 3.435 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)ccc1C ZINC000129150222 564639889 /nfs/dbraw/zinc/63/98/89/564639889.db2.gz OPGHZQXDIUHKII-HNNXBMFYSA-N -1 3 378.416 3.353 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)s2)cc1OC ZINC000056076715 564640395 /nfs/dbraw/zinc/64/03/95/564640395.db2.gz NHDAETHENITWJH-UHFFFAOYSA-N -1 3 379.862 3.079 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC000056294518 564645448 /nfs/dbraw/zinc/64/54/48/564645448.db2.gz YEJQIBCWXNSRMS-JTQLQIEISA-N -1 3 392.424 3.381 20 0 GGADHM CC[C@@H](C)Oc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056302235 564645718 /nfs/dbraw/zinc/64/57/18/564645718.db2.gz IKXXZNMOZGOKRK-CHWSQXEVSA-N -1 3 382.507 3.231 20 0 GGADHM CC(C)CCSCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000056389280 564647172 /nfs/dbraw/zinc/64/71/72/564647172.db2.gz WKYGXXSDRLMYLR-UHFFFAOYSA-N -1 3 398.472 3.245 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000056497973 564649806 /nfs/dbraw/zinc/64/98/06/564649806.db2.gz XOHFDSHHWXWXOI-LLVKDONJSA-N -1 3 377.846 3.123 20 0 GGADHM COC(=O)Cc1n[n-]c(NC(=O)CCCCc2ccc(Cl)c(Cl)c2)n1 ZINC000129493439 564650681 /nfs/dbraw/zinc/65/06/81/564650681.db2.gz GNLVUFBOZHEYFK-UHFFFAOYSA-N -1 3 385.251 3.179 20 0 GGADHM COC(=O)Cc1nnc(NC(=O)CCCCc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000129493439 564650683 /nfs/dbraw/zinc/65/06/83/564650683.db2.gz GNLVUFBOZHEYFK-UHFFFAOYSA-N -1 3 385.251 3.179 20 0 GGADHM COC(=O)Cc1nc(NC(=O)CCCCc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000129493439 564650686 /nfs/dbraw/zinc/65/06/86/564650686.db2.gz GNLVUFBOZHEYFK-UHFFFAOYSA-N -1 3 385.251 3.179 20 0 GGADHM C[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)S(C)(=O)=O ZINC000129515006 564651309 /nfs/dbraw/zinc/65/13/09/564651309.db2.gz LMGONUUMKGNICS-SNVBAGLBSA-N -1 3 376.459 3.041 20 0 GGADHM CCSCc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000129660039 564656307 /nfs/dbraw/zinc/65/63/07/564656307.db2.gz MICKMMHYZUEYCR-UHFFFAOYSA-N -1 3 384.548 3.308 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(C)ccc32)s1 ZINC000057019837 564656922 /nfs/dbraw/zinc/65/69/22/564656922.db2.gz JVRNEUOILFSMGY-WBMJQRKESA-N -1 3 378.519 3.219 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)cc1OC ZINC000057021573 564657373 /nfs/dbraw/zinc/65/73/73/564657373.db2.gz RFFIFIXBZUBYCX-CQSZACIVSA-N -1 3 385.844 3.462 20 0 GGADHM CSc1ccc([C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000057035652 564657841 /nfs/dbraw/zinc/65/78/41/564657841.db2.gz DPZUEEQYPTVNLG-NEPJUHHUSA-N -1 3 384.548 3.014 20 0 GGADHM CSc1ccc([C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000057035651 564657942 /nfs/dbraw/zinc/65/79/42/564657942.db2.gz DPZUEEQYPTVNLG-RYUDHWBXSA-N -1 3 384.548 3.014 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000129739211 564659290 /nfs/dbraw/zinc/65/92/90/564659290.db2.gz ZXDQZIZEYWFHSZ-ZDUSSCGKSA-N -1 3 380.828 3.339 20 0 GGADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1Cl ZINC000057121208 564660597 /nfs/dbraw/zinc/66/05/97/564660597.db2.gz KTXKQFBNIGEGIX-UHFFFAOYSA-N -1 3 380.897 3.464 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnn(CC(F)(F)F)c1 ZINC000129790278 564661405 /nfs/dbraw/zinc/66/14/05/564661405.db2.gz JCPHPGVTNHCIQW-UHFFFAOYSA-N -1 3 393.163 3.235 20 0 GGADHM CC[C@@H](C)Oc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000057300491 564665017 /nfs/dbraw/zinc/66/50/17/564665017.db2.gz OMRVDZJRUYIPLI-OLZOCXBDSA-N -1 3 382.507 3.231 20 0 GGADHM CC[C@H](C)Oc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000057300492 564665071 /nfs/dbraw/zinc/66/50/71/564665071.db2.gz OMRVDZJRUYIPLI-STQMWFEESA-N -1 3 382.507 3.231 20 0 GGADHM O=S(=O)(CCC1CC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000129954878 564665928 /nfs/dbraw/zinc/66/59/28/564665928.db2.gz IDPKEEQBPYGFML-UHFFFAOYSA-N -1 3 380.491 3.029 20 0 GGADHM O=S(=O)(CCC1CC1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000129954878 564665931 /nfs/dbraw/zinc/66/59/31/564665931.db2.gz IDPKEEQBPYGFML-UHFFFAOYSA-N -1 3 380.491 3.029 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000130026403 564668129 /nfs/dbraw/zinc/66/81/29/564668129.db2.gz MUNOFWRSOVYUBD-ZDUSSCGKSA-N -1 3 393.237 3.381 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000057425295 564668028 /nfs/dbraw/zinc/66/80/28/564668028.db2.gz YTZQUNZKMOLBMY-AWEZNQCLSA-N -1 3 387.332 3.445 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000057690928 564672269 /nfs/dbraw/zinc/67/22/69/564672269.db2.gz BEQIDNIYWNIKAI-AWEZNQCLSA-N -1 3 389.807 3.201 20 0 GGADHM Cc1cc(C)c([N-]c2nnc(SCCCS(N)(=O)=O)s2)c(Cl)c1 ZINC000057746641 564673407 /nfs/dbraw/zinc/67/34/07/564673407.db2.gz VJCAPZBZELUTOE-UHFFFAOYSA-N -1 3 392.959 3.323 20 0 GGADHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000057822557 564675024 /nfs/dbraw/zinc/67/50/24/564675024.db2.gz TYOPDGTYIBJYQB-LBPRGKRZSA-N -1 3 378.475 3.040 20 0 GGADHM Cc1ccnc(NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)c1 ZINC000130268747 564675743 /nfs/dbraw/zinc/67/57/43/564675743.db2.gz CUBNSGWQIAMNHB-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1 ZINC000057923238 564677089 /nfs/dbraw/zinc/67/70/89/564677089.db2.gz ONCZIOZQLQSUJO-UHFFFAOYSA-N -1 3 388.289 3.499 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000058295322 564680970 /nfs/dbraw/zinc/68/09/70/564680970.db2.gz QYUMWHFMOBJGIF-UHFFFAOYSA-N -1 3 393.515 3.152 20 0 GGADHM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000130448510 564681901 /nfs/dbraw/zinc/68/19/01/564681901.db2.gz SDFCNGYWCFAGRZ-CYBMUJFWSA-N -1 3 394.534 3.079 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000130493666 564684104 /nfs/dbraw/zinc/68/41/04/564684104.db2.gz XDNWMGFGOVKLRS-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCCO2 ZINC000058510004 564685585 /nfs/dbraw/zinc/68/55/85/564685585.db2.gz FBEVKEJMVHGRRO-UHFFFAOYSA-N -1 3 387.910 3.429 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130623588 564687057 /nfs/dbraw/zinc/68/70/57/564687057.db2.gz XJXLFAJSWGSYNU-GXSJLCMTSA-N -1 3 383.363 3.012 20 0 GGADHM O=c1nc(CN2CCC[C@@H](O)C2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000058616011 564687110 /nfs/dbraw/zinc/68/71/10/564687110.db2.gz WXWOTZJHULRASB-LLVKDONJSA-N -1 3 375.881 3.262 20 0 GGADHM CS[C@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000130667056 564688786 /nfs/dbraw/zinc/68/87/86/564688786.db2.gz WPZDJWVPQIMLAM-GFCCVEGCSA-N -1 3 382.482 3.108 20 0 GGADHM COc1cccc([C@@H](CNC(=O)c2ccc(Br)cc2[O-])N(C)C)c1 ZINC000060108320 564694334 /nfs/dbraw/zinc/69/43/34/564694334.db2.gz ZXLQRDLBGTWOSM-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1ccccc1Cl ZINC000130862951 564694376 /nfs/dbraw/zinc/69/43/76/564694376.db2.gz OGTCSTVJKBFUMC-OAHLLOKOSA-N -1 3 398.937 3.434 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000130952693 564696272 /nfs/dbraw/zinc/69/62/72/564696272.db2.gz RYIRMTMNTQOTGK-UHFFFAOYSA-N -1 3 382.854 3.216 20 0 GGADHM O=c1[n-]nc(SCCOc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1 ZINC000060384736 564697620 /nfs/dbraw/zinc/69/76/20/564697620.db2.gz KDTSEACGRNEBPP-NSHDSACASA-N -1 3 390.292 3.228 20 0 GGADHM COc1cccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1[O-] ZINC000130970702 564697658 /nfs/dbraw/zinc/69/76/58/564697658.db2.gz VCRILBZBHDRJPH-INIZCTEOSA-N -1 3 392.249 3.377 20 0 GGADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000060509705 564699508 /nfs/dbraw/zinc/69/95/08/564699508.db2.gz ICFJQOYDDLDCHQ-VIFPVBQESA-N -1 3 394.287 3.396 20 0 GGADHM CC(C)C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000060640699 564701269 /nfs/dbraw/zinc/70/12/69/564701269.db2.gz VRNJGYLTLTUAQV-INIZCTEOSA-N -1 3 380.535 3.320 20 0 GGADHM Cc1ccc(C)c2sc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)nc21 ZINC000060612095 564701300 /nfs/dbraw/zinc/70/13/00/564701300.db2.gz GEUJWCFNBMNISI-UHFFFAOYSA-N -1 3 395.531 3.282 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000060843901 564702270 /nfs/dbraw/zinc/70/22/70/564702270.db2.gz YYCYWAGIDSSZBE-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cccc2c1N=S=N2 ZINC000131139609 564702320 /nfs/dbraw/zinc/70/23/20/564702320.db2.gz AIQWJSIEBWHNDV-UHFFFAOYSA-N -1 3 389.487 3.410 20 0 GGADHM C[C@H](SCC1(CO)COC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000131206552 564704428 /nfs/dbraw/zinc/70/44/28/564704428.db2.gz VBRJCYNXMLENLW-JTQLQIEISA-N -1 3 378.475 3.048 20 0 GGADHM CS(=O)(=O)Nc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1Cl ZINC000061622493 564708533 /nfs/dbraw/zinc/70/85/33/564708533.db2.gz FEIRGCWSROZFIG-UHFFFAOYSA-N -1 3 375.233 3.323 20 0 GGADHM COCc1nc(C)c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)s1 ZINC000131340986 564708937 /nfs/dbraw/zinc/70/89/37/564708937.db2.gz UPPJRQVHBGWQEX-UHFFFAOYSA-N -1 3 378.454 3.432 20 0 GGADHM CNC(=O)C1CCC([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000063310908 564716027 /nfs/dbraw/zinc/71/60/27/564716027.db2.gz ZXOGYHGNXBIHQB-UHFFFAOYSA-N -1 3 393.336 3.193 20 0 GGADHM CN(CCC(=O)Nc1cccc(Cl)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131581683 564716865 /nfs/dbraw/zinc/71/68/65/564716865.db2.gz KCYWTTPVLMCCFD-UHFFFAOYSA-N -1 3 376.869 3.099 20 0 GGADHM CN(CCOc1cccc(Br)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131598146 564717771 /nfs/dbraw/zinc/71/77/71/564717771.db2.gz VZRCHERRNHUSOU-UHFFFAOYSA-N -1 3 394.294 3.258 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131739791 564721980 /nfs/dbraw/zinc/72/19/80/564721980.db2.gz JEBFALCGZYGWLR-UHFFFAOYSA-N -1 3 376.869 3.017 20 0 GGADHM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000063803361 564723652 /nfs/dbraw/zinc/72/36/52/564723652.db2.gz LFEYEFAQTCMXHG-UHFFFAOYSA-N -1 3 382.869 3.328 20 0 GGADHM CCc1noc(C)c1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000064463262 564729930 /nfs/dbraw/zinc/72/99/30/564729930.db2.gz WVLGRYODXBOHJF-UHFFFAOYSA-N -1 3 390.241 3.200 20 0 GGADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000064479240 564730401 /nfs/dbraw/zinc/73/04/01/564730401.db2.gz RJNZCLCRSVSFPK-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cc1 ZINC000064475708 564730445 /nfs/dbraw/zinc/73/04/45/564730445.db2.gz DIAIRPKGIUNIRN-UHFFFAOYSA-N -1 3 378.519 3.354 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)ccc1=O ZINC000131994964 564730584 /nfs/dbraw/zinc/73/05/84/564730584.db2.gz IGEOWEUGWKCHAF-UHFFFAOYSA-N -1 3 391.674 3.085 20 0 GGADHM O=C([N-]c1nc[nH]n1)c1cc2cc(Br)cc(Br)c2o1 ZINC000064489365 564730952 /nfs/dbraw/zinc/73/09/52/564730952.db2.gz UDIRYMLDWFRDEI-UHFFFAOYSA-N -1 3 386.003 3.328 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)cc(F)c1 ZINC000064599476 564732825 /nfs/dbraw/zinc/73/28/25/564732825.db2.gz FFYRNFSGFYTTHC-ZDUSSCGKSA-N -1 3 386.489 3.217 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000132088271 564733801 /nfs/dbraw/zinc/73/38/01/564733801.db2.gz NTFLEWNIRDMCRT-UHFFFAOYSA-N -1 3 380.214 3.306 20 0 GGADHM CCCCOc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064863524 564736041 /nfs/dbraw/zinc/73/60/41/564736041.db2.gz VGVZWTSTICDVBK-ZDUSSCGKSA-N -1 3 382.507 3.233 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064857044 564736111 /nfs/dbraw/zinc/73/61/11/564736111.db2.gz SOWGDUIURJWWMA-AAEUAGOBSA-N -1 3 384.548 3.012 20 0 GGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064857210 564736244 /nfs/dbraw/zinc/73/62/44/564736244.db2.gz RTHLPUDVGWCVPH-NWDGAFQWSA-N -1 3 386.926 3.288 20 0 GGADHM CC(C)C[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000064855799 564736303 /nfs/dbraw/zinc/73/63/03/564736303.db2.gz OMCMGWWFHCMOQD-ZBFHGGJFSA-N -1 3 380.535 3.319 20 0 GGADHM CC[C@H]1CCc2nc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000064860659 564736462 /nfs/dbraw/zinc/73/64/62/564736462.db2.gz FDOWMOJGOSUMMB-QWRGUYRKSA-N -1 3 399.563 3.025 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000064855938 564736486 /nfs/dbraw/zinc/73/64/86/564736486.db2.gz NYBDEFNZZTXXJX-STQMWFEESA-N -1 3 396.559 3.332 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000064863221 564736587 /nfs/dbraw/zinc/73/65/87/564736587.db2.gz PCVVENQXEJYYEU-HOCLYGCPSA-N -1 3 378.519 3.087 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)NC(=O)CC2 ZINC000132250571 564737770 /nfs/dbraw/zinc/73/77/70/564737770.db2.gz LHCPNBSSFNSKEG-UHFFFAOYSA-N -1 3 390.237 3.361 20 0 GGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000065012255 564738529 /nfs/dbraw/zinc/73/85/29/564738529.db2.gz GAJIQJOZFABPSO-OAHLLOKOSA-N -1 3 385.844 3.452 20 0 GGADHM Cc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000132306832 564739749 /nfs/dbraw/zinc/73/97/49/564739749.db2.gz RJTLMMSUVWQIPU-UHFFFAOYSA-N -1 3 377.238 3.026 20 0 GGADHM CN(CCNC(=O)c1ccc(Br)c([O-])c1)Cc1ccc(F)cc1 ZINC000132352494 564740999 /nfs/dbraw/zinc/74/09/99/564740999.db2.gz MVWZOULREBCGAA-UHFFFAOYSA-N -1 3 381.245 3.156 20 0 GGADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1ccccc1F ZINC000132325329 564741044 /nfs/dbraw/zinc/74/10/44/564741044.db2.gz VDYNODWPLZIAOJ-UHFFFAOYSA-N -1 3 380.510 3.218 20 0 GGADHM CC(C)c1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000065141658 564740998 /nfs/dbraw/zinc/74/09/98/564740998.db2.gz SOIAWLDMTMMMMS-UHFFFAOYSA-N -1 3 381.881 3.373 20 0 GGADHM O=C(NCCc1cc(Br)ccc1F)c1c[n-]c2ccccc2c1=O ZINC000065604746 564745362 /nfs/dbraw/zinc/74/53/62/564745362.db2.gz OURMEVYIMATZIW-UHFFFAOYSA-N -1 3 389.224 3.402 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000132579318 564747865 /nfs/dbraw/zinc/74/78/65/564747865.db2.gz HHDYKFVMEHTVHC-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc([O-])c(F)c1 ZINC000132699135 564751036 /nfs/dbraw/zinc/75/10/36/564751036.db2.gz NVDMNDZWFTXTSU-OAHLLOKOSA-N -1 3 380.828 3.304 20 0 GGADHM Cc1cc(Br)ccc1N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000065877860 564751913 /nfs/dbraw/zinc/75/19/13/564751913.db2.gz SAPGBFQIBOIVKB-UHFFFAOYSA-N -1 3 378.270 3.053 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c(Cl)c1 ZINC000132823100 564753737 /nfs/dbraw/zinc/75/37/37/564753737.db2.gz LAAKCILUOJOZBA-UHFFFAOYSA-N -1 3 380.775 3.173 20 0 GGADHM O=c1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cccn1CC(F)(F)F ZINC000132825020 564753971 /nfs/dbraw/zinc/75/39/71/564753971.db2.gz QADHMFGDAXRILP-UHFFFAOYSA-N -1 3 384.738 3.004 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1cccc(F)c1 ZINC000132839833 564754806 /nfs/dbraw/zinc/75/48/06/564754806.db2.gz TWVRULVCONQOEV-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N(C)C ZINC000132836348 564754896 /nfs/dbraw/zinc/75/48/96/564754896.db2.gz OSYFVXCIYNVGTE-OAHLLOKOSA-N -1 3 393.281 3.196 20 0 GGADHM O=C(NCCCN1CCc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000066044904 564755165 /nfs/dbraw/zinc/75/51/65/564755165.db2.gz DWZBPFLHQGXXRR-UHFFFAOYSA-N -1 3 389.293 3.333 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)nc1-c1ccc(Cl)cc1 ZINC000066101704 564756169 /nfs/dbraw/zinc/75/61/69/564756169.db2.gz JHLNAKLYVYNEPZ-UHFFFAOYSA-N -1 3 396.925 3.292 20 0 GGADHM CCc1sc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C ZINC000133103104 564762584 /nfs/dbraw/zinc/76/25/84/564762584.db2.gz HCFCIUBANGFJMM-UHFFFAOYSA-N -1 3 382.482 3.451 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)cc1F ZINC000133100308 564762716 /nfs/dbraw/zinc/76/27/16/564762716.db2.gz ZFGUIHHVJVTLFC-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM CN(C)CCOc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000133167128 564765031 /nfs/dbraw/zinc/76/50/31/564765031.db2.gz NHCSOSFCDNDBOJ-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM COc1ccsc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000133232840 564766553 /nfs/dbraw/zinc/76/65/53/564766553.db2.gz ZCFBWVSBPZMRCK-UHFFFAOYSA-N -1 3 386.470 3.225 20 0 GGADHM CSc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC000133233529 564766759 /nfs/dbraw/zinc/76/67/59/564766759.db2.gz AQDZZXKIQCJEGF-UHFFFAOYSA-N -1 3 386.470 3.470 20 0 GGADHM CSCCCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000133251712 564767525 /nfs/dbraw/zinc/76/75/25/564767525.db2.gz WQYOVWURZIZNRZ-UHFFFAOYSA-N -1 3 376.519 3.374 20 0 GGADHM Cc1c2cccc(Cl)c2oc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000133259131 564767706 /nfs/dbraw/zinc/76/77/06/564767706.db2.gz CQVYJCBDRUSPJJ-UHFFFAOYSA-N -1 3 398.893 3.164 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000133273479 564768342 /nfs/dbraw/zinc/76/83/42/564768342.db2.gz ZMODLWAMNLAANI-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000133268984 564768514 /nfs/dbraw/zinc/76/85/14/564768514.db2.gz AZDQJEPYBUALMI-LBPRGKRZSA-N -1 3 391.320 3.063 20 0 GGADHM Cc1nc(CN2CCCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)cs1 ZINC000133260826 564768648 /nfs/dbraw/zinc/76/86/48/564768648.db2.gz GYQDOILPVAFCIE-UHFFFAOYSA-N -1 3 379.913 3.088 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000133273685 564768758 /nfs/dbraw/zinc/76/87/58/564768758.db2.gz ZMODLWAMNLAANI-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000133299804 564769685 /nfs/dbraw/zinc/76/96/85/564769685.db2.gz CEMHCGZEIMSVMS-KRWDZBQOSA-N -1 3 392.249 3.377 20 0 GGADHM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCc2ccccc2C1 ZINC000133304605 564769736 /nfs/dbraw/zinc/76/97/36/564769736.db2.gz FURZWHZIBHTQOR-CYBMUJFWSA-N -1 3 389.293 3.331 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCc2cccc(Br)c2)c1 ZINC000066650998 564772331 /nfs/dbraw/zinc/77/23/31/564772331.db2.gz RTNMBTQCSJUETI-UHFFFAOYSA-N -1 3 391.265 3.476 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1C)c1ccc(C)o1 ZINC000133405244 564772832 /nfs/dbraw/zinc/77/28/32/564772832.db2.gz YCTIHBRCPWQCNN-CYBMUJFWSA-N -1 3 388.283 3.325 20 0 GGADHM CSCc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000066778294 564774500 /nfs/dbraw/zinc/77/45/00/564774500.db2.gz IRPURJHLZYLRHL-UHFFFAOYSA-N -1 3 390.939 3.182 20 0 GGADHM CCC(CC)(CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000133561701 564777893 /nfs/dbraw/zinc/77/78/93/564777893.db2.gz WSQJMKWKUJHMRO-UHFFFAOYSA-N -1 3 394.534 3.223 20 0 GGADHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000066938553 564779026 /nfs/dbraw/zinc/77/90/26/564779026.db2.gz OJYSHMZWIYQFOH-UHFFFAOYSA-N -1 3 391.312 3.010 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)s1 ZINC000066937291 564779299 /nfs/dbraw/zinc/77/92/99/564779299.db2.gz HFFGVFIWBOXTAM-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000133728518 564784319 /nfs/dbraw/zinc/78/43/19/564784319.db2.gz KTAIGTLBRSAHKG-LLVKDONJSA-N -1 3 399.925 3.013 20 0 GGADHM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1cc(Cl)ccc1[O-] ZINC000067138952 564784624 /nfs/dbraw/zinc/78/46/24/564784624.db2.gz XZNRIAYABLOALV-UHFFFAOYSA-N -1 3 389.260 3.006 20 0 GGADHM CN(CC(=O)Nc1cc(Cl)ccc1[O-])C(=O)c1ccc(Br)o1 ZINC000067145486 564785936 /nfs/dbraw/zinc/78/59/36/564785936.db2.gz ZUDGHWFURSGUIW-UHFFFAOYSA-N -1 3 387.617 3.112 20 0 GGADHM COCc1csc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)n1 ZINC000133894743 564788856 /nfs/dbraw/zinc/78/88/56/564788856.db2.gz LPGTVMYJPFHPRY-UHFFFAOYSA-N -1 3 394.499 3.436 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1c(Cl)cccc1Cl ZINC000134010013 564791331 /nfs/dbraw/zinc/79/13/31/564791331.db2.gz MMABITRRIBZUQW-UHFFFAOYSA-N -1 3 387.292 3.276 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1ccc(Br)c(Cl)c1 ZINC000134022259 564791456 /nfs/dbraw/zinc/79/14/56/564791456.db2.gz RBSRNFXGPJWGNO-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1cccc(Br)c1 ZINC000134290054 564799092 /nfs/dbraw/zinc/79/90/92/564799092.db2.gz CEPJZWPHYPPMQS-UHFFFAOYSA-N -1 3 397.225 3.194 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1cc(Br)ccc1Cl ZINC000067946953 564804000 /nfs/dbraw/zinc/80/40/00/564804000.db2.gz AKNCDOQZPDYDBS-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1cc(Br)ccc1Cl ZINC000067946450 564804260 /nfs/dbraw/zinc/80/42/60/564804260.db2.gz FVRAEYNRACZTQM-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1sccc1Br ZINC000067985380 564805051 /nfs/dbraw/zinc/80/50/51/564805051.db2.gz VRIQITHEXLFGHY-UHFFFAOYSA-N -1 3 391.312 3.173 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCF)cc1Br ZINC000134507938 564805658 /nfs/dbraw/zinc/80/56/58/564805658.db2.gz SLKNVCPCQRVSHU-UHFFFAOYSA-N -1 3 389.084 3.158 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000134552127 564807035 /nfs/dbraw/zinc/80/70/35/564807035.db2.gz VTHXXZKIJUHBSG-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000134596846 564807742 /nfs/dbraw/zinc/80/77/42/564807742.db2.gz LLIZMLNKGGONOQ-NHYWBVRUSA-N -1 3 398.301 3.313 20 0 GGADHM C[C@@]1(c2cccc(NC(=O)CCc3cc(Cl)cs3)c2)NC(=O)[N-]C1=O ZINC000134584469 564807964 /nfs/dbraw/zinc/80/79/64/564807964.db2.gz IECLFAZXYUSNKD-KRWDZBQOSA-N -1 3 377.853 3.027 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000068098055 564808471 /nfs/dbraw/zinc/80/84/71/564808471.db2.gz RZSPUJWBULXKDI-UHFFFAOYSA-N -1 3 377.853 3.374 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O ZINC000068239239 564813062 /nfs/dbraw/zinc/81/30/62/564813062.db2.gz QLZKJDRMMXOGPZ-UHFFFAOYSA-N -1 3 382.507 3.291 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000068383636 564816680 /nfs/dbraw/zinc/81/66/80/564816680.db2.gz APVHWXXWAJCKJK-DOMZBBRYSA-N -1 3 398.937 3.432 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000068382475 564817178 /nfs/dbraw/zinc/81/71/78/564817178.db2.gz GQXBAAPQAPMXSL-ZBFHGGJFSA-N -1 3 378.519 3.087 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000134939609 564819285 /nfs/dbraw/zinc/81/92/85/564819285.db2.gz HPVPOSLMDNBGFX-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000134939630 564819592 /nfs/dbraw/zinc/81/95/92/564819592.db2.gz HPVPOSLMDNBGFX-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccc(C)cc2C)s1 ZINC000068462711 564819911 /nfs/dbraw/zinc/81/99/11/564819911.db2.gz PARFMZZLBFWZCT-CQSZACIVSA-N -1 3 380.535 3.083 20 0 GGADHM CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccccc3[O-])n2)s1 ZINC000068479981 564820561 /nfs/dbraw/zinc/82/05/61/564820561.db2.gz IQMDPKRTKKAQRY-UHFFFAOYSA-N -1 3 380.516 3.336 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(Br)o3)nc2)n1 ZINC000068665324 564823923 /nfs/dbraw/zinc/82/39/23/564823923.db2.gz UCIQPRLYNPRJTB-UHFFFAOYSA-N -1 3 389.253 3.386 20 0 GGADHM C[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000068844990 564827041 /nfs/dbraw/zinc/82/70/41/564827041.db2.gz NCQLJPRXVLFDJU-GFCCVEGCSA-N -1 3 393.336 3.310 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(Cl)c1 ZINC000068882964 564828652 /nfs/dbraw/zinc/82/86/52/564828652.db2.gz INVSHROZVYDYFP-MRXNPFEDSA-N -1 3 384.860 3.421 20 0 GGADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1ccc(Br)s1 ZINC000068938398 564829361 /nfs/dbraw/zinc/82/93/61/564829361.db2.gz JBVJZPSJGSVXHA-JTQLQIEISA-N -1 3 392.271 3.452 20 0 GGADHM CCC[C@](C)(NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000135397297 564830307 /nfs/dbraw/zinc/83/03/07/564830307.db2.gz GWGKGQAXZSYMTE-LBPRGKRZSA-N -1 3 380.080 3.340 20 0 GGADHM CCC[C@@](C)(NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000135397318 564830405 /nfs/dbraw/zinc/83/04/05/564830405.db2.gz GWGKGQAXZSYMTE-GFCCVEGCSA-N -1 3 380.080 3.340 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCCC[C@H]1C ZINC000068970193 564830600 /nfs/dbraw/zinc/83/06/00/564830600.db2.gz WIKJGGNKXMTIHN-GHMZBOCLSA-N -1 3 379.309 3.061 20 0 GGADHM COc1ccccc1OCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000069079002 564832734 /nfs/dbraw/zinc/83/27/34/564832734.db2.gz MRPSCAJYWNXGEQ-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cn1C ZINC000135600420 564836291 /nfs/dbraw/zinc/83/62/91/564836291.db2.gz MQJLYXYREZGSES-UHFFFAOYSA-N -1 3 396.774 3.285 20 0 GGADHM COc1cccc([C@H](CNC(=O)c2cc(Br)ccc2[O-])N(C)C)c1 ZINC000069232907 564836568 /nfs/dbraw/zinc/83/65/68/564836568.db2.gz RBCMIGGTSHGVFW-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1F ZINC000135635613 564837428 /nfs/dbraw/zinc/83/74/28/564837428.db2.gz UENIZNKXBNYVEE-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccs1)c1ccc(Cl)c(F)c1 ZINC000135696351 564839183 /nfs/dbraw/zinc/83/91/83/564839183.db2.gz SOPZMKIXWGVMEP-LBPRGKRZSA-N -1 3 377.846 3.123 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC2(c3ccc(Cl)cc3)CC2)ccc1F ZINC000069789329 564844517 /nfs/dbraw/zinc/84/45/17/564844517.db2.gz VTVZYXAYILWEES-UHFFFAOYSA-N -1 3 382.844 3.270 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)s1 ZINC000069871264 564846411 /nfs/dbraw/zinc/84/64/11/564846411.db2.gz VQTKSLJCSQWFTH-SFHVURJKSA-N -1 3 380.535 3.368 20 0 GGADHM COCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccc(OC)cc3)s2)s1 ZINC000136313013 564848121 /nfs/dbraw/zinc/84/81/21/564848121.db2.gz OONZBBPGVWLLKJ-UHFFFAOYSA-N -1 3 376.463 3.377 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2sccc2Br)ccc1F ZINC000070163866 564849479 /nfs/dbraw/zinc/84/94/79/564849479.db2.gz PQBUCMSBCIQUHG-UHFFFAOYSA-N -1 3 393.259 3.274 20 0 GGADHM CN(C)CCOc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000136521127 564851730 /nfs/dbraw/zinc/85/17/30/564851730.db2.gz GHHBADWAPUULTH-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM CSCCCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000136749060 564854874 /nfs/dbraw/zinc/85/48/74/564854874.db2.gz HVYCNZVLHRKYJZ-UHFFFAOYSA-N -1 3 390.596 3.232 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000136791310 564855835 /nfs/dbraw/zinc/85/58/35/564855835.db2.gz ZJIBWKFJDORIOA-SECBINFHSA-N -1 3 388.823 3.481 20 0 GGADHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071345961 564856391 /nfs/dbraw/zinc/85/63/91/564856391.db2.gz QRYSXSUXEWUPPP-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM COc1cc(I)c(C(=O)Nc2ccccc2[O-])cc1OC ZINC000072075529 564861175 /nfs/dbraw/zinc/86/11/75/564861175.db2.gz OGNIYIYXLPARFE-UHFFFAOYSA-N -1 3 399.184 3.266 20 0 GGADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000137274755 564861534 /nfs/dbraw/zinc/86/15/34/564861534.db2.gz BXXNWMYLZZRFPL-NSHDSACASA-N -1 3 379.254 3.291 20 0 GGADHM COc1cc(Br)c(CNC(=O)c2ccc(C)cc2[O-])cc1OC ZINC000072088764 564861793 /nfs/dbraw/zinc/86/17/93/564861793.db2.gz AVTWCJUFJDBOFI-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@@H]2CCOC(C)(C)C2)cc(Br)c1[O-] ZINC000137414130 564862224 /nfs/dbraw/zinc/86/22/24/564862224.db2.gz OEAGIKCDWLCUTN-ZYOFXKKJSA-N -1 3 384.270 3.250 20 0 GGADHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1cc(Br)ccc1[O-] ZINC000072314346 564863117 /nfs/dbraw/zinc/86/31/17/564863117.db2.gz INJPYJRIYGYORY-UHFFFAOYSA-N -1 3 395.228 3.443 20 0 GGADHM C[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1c(Cl)cccc1Cl ZINC000078549685 564863990 /nfs/dbraw/zinc/86/39/90/564863990.db2.gz KAWQUDCILSNMIR-VIFPVBQESA-N -1 3 377.227 3.411 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000138210694 564864851 /nfs/dbraw/zinc/86/48/51/564864851.db2.gz DRZKBBJYQZZSAI-QWRGUYRKSA-N -1 3 379.309 3.061 20 0 GGADHM CCc1ncsc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000138495822 564866712 /nfs/dbraw/zinc/86/67/12/564866712.db2.gz OWIBAOBREGPADF-UHFFFAOYSA-N -1 3 392.282 3.360 20 0 GGADHM Cc1ccc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c([O-])c1 ZINC000138976854 564867924 /nfs/dbraw/zinc/86/79/24/564867924.db2.gz NWJPCUBGQYNPTJ-UHFFFAOYSA-N -1 3 398.278 3.017 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C)c1Cl ZINC000139421337 564869312 /nfs/dbraw/zinc/86/93/12/564869312.db2.gz SXYZINRKBLTNQS-SNVBAGLBSA-N -1 3 381.325 3.192 20 0 GGADHM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2Cl)cc1 ZINC000141169292 564873576 /nfs/dbraw/zinc/87/35/76/564873576.db2.gz RRPLKLHPPFMRGX-UHFFFAOYSA-N -1 3 380.897 3.463 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000141873779 564874379 /nfs/dbraw/zinc/87/43/79/564874379.db2.gz QVJKMOJLQNOMQL-DOMZBBRYSA-N -1 3 398.937 3.432 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000141943531 564874425 /nfs/dbraw/zinc/87/44/25/564874425.db2.gz VYAIMQQZSJTKLB-XJKSGUPXSA-N -1 3 380.535 3.319 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000142196142 564875199 /nfs/dbraw/zinc/87/51/99/564875199.db2.gz ZRFZJLMWYHYYAF-NSHDSACASA-N -1 3 399.563 3.169 20 0 GGADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1F ZINC000142132580 564875477 /nfs/dbraw/zinc/87/54/77/564875477.db2.gz UKKYTCCUQCZTNU-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccncc1 ZINC000092264019 564875856 /nfs/dbraw/zinc/87/58/56/564875856.db2.gz XJIGSZGQJZQUPU-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccncc1 ZINC000092264667 564876279 /nfs/dbraw/zinc/87/62/79/564876279.db2.gz XTBYDGMZYTUPBG-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3cc([O-])ccc3Br)CC2)s1 ZINC000092379799 564876809 /nfs/dbraw/zinc/87/68/09/564876809.db2.gz VZWVYMZRJLKUIX-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM Cc1nc(CN2CCN(Cc3cc([O-])ccc3Br)CC2)oc1C ZINC000093056244 564883423 /nfs/dbraw/zinc/88/34/23/564883423.db2.gz VTDNZMTZYBCQDN-UHFFFAOYSA-N -1 3 380.286 3.077 20 0 GGADHM C[C@@H](c1cccnc1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000093413505 564885987 /nfs/dbraw/zinc/88/59/87/564885987.db2.gz FKRQYUXTMXCVEX-AWEZNQCLSA-N -1 3 376.298 3.429 20 0 GGADHM CC(=O)c1cnc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)s1 ZINC000150726341 564888497 /nfs/dbraw/zinc/88/84/97/564888497.db2.gz DXMHMNZJQAXTNB-UHFFFAOYSA-N -1 3 392.483 3.492 20 0 GGADHM Cc1nsc(N2CCCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000093717081 564889240 /nfs/dbraw/zinc/88/92/40/564889240.db2.gz VTOJZEXRLXBFNS-UHFFFAOYSA-N -1 3 383.315 3.027 20 0 GGADHM Cc1nn2c(nnc2S[C@H]2CCCc3ccc(Br)cc32)[n-]c1=O ZINC000093904075 564891572 /nfs/dbraw/zinc/89/15/72/564891572.db2.gz OSXODGPEESFFGY-LBPRGKRZSA-N -1 3 392.282 3.466 20 0 GGADHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)ccc1OC(C)C ZINC000150877022 564895885 /nfs/dbraw/zinc/89/58/85/564895885.db2.gz BQJXZAQLDLZVSX-UHFFFAOYSA-N -1 3 382.507 3.151 20 0 GGADHM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000150934502 564897346 /nfs/dbraw/zinc/89/73/46/564897346.db2.gz NINZMVFWPRNQKY-ZWNOBZJWSA-N -1 3 375.899 3.027 20 0 GGADHM C[C@H](C1CC1)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000150987605 564901003 /nfs/dbraw/zinc/90/10/03/564901003.db2.gz QEZMZANZROABLH-SECBINFHSA-N -1 3 396.228 3.003 20 0 GGADHM CCOc1ccccc1C[N-]S(=O)(=O)c1sccc1Br ZINC000097093667 564905616 /nfs/dbraw/zinc/90/56/16/564905616.db2.gz BCWAESGPMIRILM-UHFFFAOYSA-N -1 3 376.297 3.388 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000151125918 564906655 /nfs/dbraw/zinc/90/66/55/564906655.db2.gz YZIAVGSWGSXNEK-OAHLLOKOSA-N -1 3 379.243 3.163 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1 ZINC000151151096 564907244 /nfs/dbraw/zinc/90/72/44/564907244.db2.gz XPRFBXNZISMFER-NSHDSACASA-N -1 3 387.288 3.440 20 0 GGADHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000097271896 564907613 /nfs/dbraw/zinc/90/76/13/564907613.db2.gz YLQXHHXHXKYCHR-UKRRQHHQSA-N -1 3 391.798 3.295 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCC(C)CC1 ZINC000097549618 564908423 /nfs/dbraw/zinc/90/84/23/564908423.db2.gz PBFFDRZMSSGWKT-GFCCVEGCSA-N -1 3 382.423 3.243 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1 ZINC000097594017 564909437 /nfs/dbraw/zinc/90/94/37/564909437.db2.gz WDRHVBWSYQKXQH-UHFFFAOYSA-N -1 3 384.885 3.235 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(C)(C)C ZINC000097578112 564909565 /nfs/dbraw/zinc/90/95/65/564909565.db2.gz HGXHAZVMSVDJQG-LLVKDONJSA-N -1 3 387.807 3.225 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C ZINC000097578116 564909675 /nfs/dbraw/zinc/90/96/75/564909675.db2.gz FTFFILINHUSPBU-LLVKDONJSA-N -1 3 387.807 3.225 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cccc(-c2cccs2)c1 ZINC000101526462 564916496 /nfs/dbraw/zinc/91/64/96/564916496.db2.gz OOBTUHORPJGQLM-UHFFFAOYSA-N -1 3 378.500 3.394 20 0 GGADHM CC[C@H](C)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151394539 564917924 /nfs/dbraw/zinc/91/79/24/564917924.db2.gz FQHNFGOFSQWRBJ-VIFPVBQESA-N -1 3 384.217 3.003 20 0 GGADHM O=S(=O)([N-]CC1CCN(Cc2cccs2)CC1)c1cccc(F)c1F ZINC000101575671 564918741 /nfs/dbraw/zinc/91/87/41/564918741.db2.gz JOVPWCHSLMJFNG-UHFFFAOYSA-N -1 3 386.489 3.217 20 0 GGADHM CC(C)(C)OC(=O)NCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151515525 564923901 /nfs/dbraw/zinc/92/39/01/564923901.db2.gz QJACNGAKKDGJBT-UHFFFAOYSA-N -1 3 387.274 3.076 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1ccc(Br)c(Cl)c1 ZINC000151527803 564923925 /nfs/dbraw/zinc/92/39/25/564923925.db2.gz DOFNTJYIWNIAQZ-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM COc1ccc(COCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151524552 564924422 /nfs/dbraw/zinc/92/44/22/564924422.db2.gz RMIUZXOJNPITDL-UHFFFAOYSA-N -1 3 394.265 3.386 20 0 GGADHM CCCNC(=O)c1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151524715 564924435 /nfs/dbraw/zinc/92/44/35/564924435.db2.gz GSCRFJAXXSOKCS-UHFFFAOYSA-N -1 3 391.265 3.225 20 0 GGADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCc2ccccc2C1 ZINC000151523645 564924494 /nfs/dbraw/zinc/92/44/94/564924494.db2.gz IMMPUSJBDUPFHZ-ZDUSSCGKSA-N -1 3 389.293 3.218 20 0 GGADHM CCN(C)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000151522311 564924528 /nfs/dbraw/zinc/92/45/28/564924528.db2.gz WMUMHZOAQQMFBK-KRWDZBQOSA-N -1 3 377.282 3.464 20 0 GGADHM CC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151544662 564925449 /nfs/dbraw/zinc/92/54/49/564925449.db2.gz DKYHBPGDCRWTLR-GFCCVEGCSA-N -1 3 392.249 3.441 20 0 GGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151558049 564926465 /nfs/dbraw/zinc/92/64/65/564926465.db2.gz FHVCXLKEMZTLDL-RNCFNFMXSA-N -1 3 396.228 3.051 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000151573604 564927234 /nfs/dbraw/zinc/92/72/34/564927234.db2.gz RWFNRRYWJZSASV-UHFFFAOYSA-N -1 3 391.196 3.065 20 0 GGADHM O=C(C[C@H]1OCCc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000151575842 564927315 /nfs/dbraw/zinc/92/73/15/564927315.db2.gz RNJRKCCGWASSOD-QGZVFWFLSA-N -1 3 376.250 3.475 20 0 GGADHM COc1ccc(OC)c(CCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151568688 564927455 /nfs/dbraw/zinc/92/74/55/564927455.db2.gz BGNJTKXHNJUOTG-UHFFFAOYSA-N -1 3 394.265 3.421 20 0 GGADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151591901 564928212 /nfs/dbraw/zinc/92/82/12/564928212.db2.gz LMTMIIFPLCHCGV-LBPRGKRZSA-N -1 3 397.313 3.246 20 0 GGADHM COc1cccc(CO[C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151589332 564928381 /nfs/dbraw/zinc/92/83/81/564928381.db2.gz REKJSVTYIUJEES-GFCCVEGCSA-N -1 3 394.265 3.385 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C1CCN(CC(F)(F)F)CC1 ZINC000151586414 564928433 /nfs/dbraw/zinc/92/84/33/564928433.db2.gz LJUSZQOLEZLMLJ-UHFFFAOYSA-N -1 3 395.219 3.045 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)NCc3ccc([O-])c(Br)c3)c2)o1 ZINC000151596010 564929077 /nfs/dbraw/zinc/92/90/77/564929077.db2.gz BSZRHBMXSMCLLG-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(-c2ccccc2F)n1 ZINC000151607036 564929132 /nfs/dbraw/zinc/92/91/32/564929132.db2.gz BLWVAYIOWFSTSY-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM COc1cc(F)c(C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000151614903 564929297 /nfs/dbraw/zinc/92/92/97/564929297.db2.gz JQPZXIDRYAEWJW-UHFFFAOYSA-N -1 3 384.201 3.241 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cs1 ZINC000102413515 564929562 /nfs/dbraw/zinc/92/95/62/564929562.db2.gz YBCBAFZDLDISQM-UHFFFAOYSA-N -1 3 381.342 3.051 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2ccco2)[nH]c1=O ZINC000151626153 564930119 /nfs/dbraw/zinc/93/01/19/564930119.db2.gz 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564934443 /nfs/dbraw/zinc/93/44/43/564934443.db2.gz YDMNCGKWRUYMFB-UHFFFAOYSA-N -1 3 394.269 3.119 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccccc2Cl)c(Cl)c1 ZINC000102776223 564935151 /nfs/dbraw/zinc/93/51/51/564935151.db2.gz JMMTWYCVHFLFBI-UHFFFAOYSA-N -1 3 387.288 3.360 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccc(C)s3)nc(=O)c2c1C ZINC000102774477 564935268 /nfs/dbraw/zinc/93/52/68/564935268.db2.gz ALLXSMMOBMLBRT-UHFFFAOYSA-N -1 3 377.491 3.082 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(C)c2ccccc2)s1 ZINC000102777445 564936254 /nfs/dbraw/zinc/93/62/54/564936254.db2.gz AXVAEUUUZUMVAO-ZDUSSCGKSA-N -1 3 380.535 3.029 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nnc(-c3ccsc3)s2)ccc1F ZINC000102900703 564938870 /nfs/dbraw/zinc/93/88/70/564938870.db2.gz ONMVDXMAMNTUMH-UHFFFAOYSA-N -1 3 398.466 3.030 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cs1 ZINC000151883836 564940228 /nfs/dbraw/zinc/94/02/28/564940228.db2.gz AJRMGKDHPDCLGA-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1ccc(C(F)(F)F)cc1Cl ZINC000151931907 564941591 /nfs/dbraw/zinc/94/15/91/564941591.db2.gz NOLFJNUVYTZFOR-HIFRSBDPSA-N -1 3 391.798 3.295 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@@H]1O)c1ccc(C(F)(F)F)cc1Cl ZINC000151931820 564941717 /nfs/dbraw/zinc/94/17/17/564941717.db2.gz NOLFJNUVYTZFOR-ZFWWWQNUSA-N -1 3 391.798 3.295 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C[C@H](c2ccccc2)C(C)C)s1 ZINC000103067050 564943112 /nfs/dbraw/zinc/94/31/12/564943112.db2.gz GUIHTQBAEPJOKR-INIZCTEOSA-N -1 3 380.535 3.102 20 0 GGADHM O=C([N-]c1ccc(F)cn1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000103071719 564943137 /nfs/dbraw/zinc/94/31/37/564943137.db2.gz CQRFPCXHBLFOAD-UHFFFAOYSA-N -1 3 397.478 3.075 20 0 GGADHM O=C(Nc1ccc(F)cn1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000103071719 564943140 /nfs/dbraw/zinc/94/31/40/564943140.db2.gz CQRFPCXHBLFOAD-UHFFFAOYSA-N -1 3 397.478 3.075 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000152004125 564943541 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O=S(=O)([N-]CCCO[C@@H]1CCOC1)c1cc2cc(Cl)ccc2s1 ZINC000152351449 564956458 /nfs/dbraw/zinc/95/64/58/564956458.db2.gz LSPSIKQOMVKQCP-CYBMUJFWSA-N -1 3 375.899 3.029 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000104634134 564957454 /nfs/dbraw/zinc/95/74/54/564957454.db2.gz JXOXHBGZDYVVPE-ZETCQYMHSA-N -1 3 391.198 3.209 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCc2cccs2)ccc1F ZINC000152416451 564958142 /nfs/dbraw/zinc/95/81/42/564958142.db2.gz LLCVTACZXWLYEM-UHFFFAOYSA-N -1 3 385.486 3.286 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(F)cc2)cc1Cl ZINC000104732334 564958163 /nfs/dbraw/zinc/95/81/63/564958163.db2.gz XMFWNJGLLRIXAZ-UHFFFAOYSA-N -1 3 388.823 3.098 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCOC2CCCC2)cc1Cl ZINC000104739231 564959002 /nfs/dbraw/zinc/95/90/02/564959002.db2.gz NALKMGZXZNXTKT-UHFFFAOYSA-N -1 3 392.880 3.065 20 0 GGADHM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000104753210 564959123 /nfs/dbraw/zinc/95/91/23/564959123.db2.gz HZECTSUGNUSOJS-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(I)c(F)c1 ZINC000104837769 564960018 /nfs/dbraw/zinc/96/00/18/564960018.db2.gz DZJSKYANBGQLIJ-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(I)c(F)c1 ZINC000104837769 564960022 /nfs/dbraw/zinc/96/00/22/564960022.db2.gz DZJSKYANBGQLIJ-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(I)c(F)c1 ZINC000104837769 564960026 /nfs/dbraw/zinc/96/00/26/564960026.db2.gz DZJSKYANBGQLIJ-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM COCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000152583257 564964123 /nfs/dbraw/zinc/96/41/23/564964123.db2.gz DWMCVINBMRYADW-UHFFFAOYSA-N -1 3 389.260 3.379 20 0 GGADHM CCn1nccc1C=C(Cl)c1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000152608777 564965414 /nfs/dbraw/zinc/96/54/14/564965414.db2.gz MYEKNFCHLAIGLD-JXMROGBWSA-N -1 3 378.841 3.033 20 0 GGADHM COc1c(F)ccc(F)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1Cl ZINC000152656551 564966769 /nfs/dbraw/zinc/96/67/69/564966769.db2.gz AOWJXJKYSSYSRA-UHFFFAOYSA-N -1 3 375.780 3.283 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccco1)c1ccccc1OC ZINC000152733239 564969474 /nfs/dbraw/zinc/96/94/74/564969474.db2.gz UTVIGKOAEFWUDP-INIZCTEOSA-N -1 3 379.459 3.426 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)cc1Cl ZINC000105615875 564969664 /nfs/dbraw/zinc/96/96/64/564969664.db2.gz JZDDWWIFZUEGRK-LBPRGKRZSA-N -1 3 393.292 3.176 20 0 GGADHM Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc([O-])ccc2Br)cc1 ZINC000152748293 564970510 /nfs/dbraw/zinc/97/05/10/564970510.db2.gz HVQWZECBDOCCEE-CYBMUJFWSA-N -1 3 398.322 3.415 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)on1 ZINC000105713094 564973065 /nfs/dbraw/zinc/97/30/65/564973065.db2.gz POEMPIGOUHLPRM-SECBINFHSA-N -1 3 377.249 3.232 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)on1 ZINC000105723437 564973141 /nfs/dbraw/zinc/97/31/41/564973141.db2.gz RUYFTUJDPATOCY-MRVPVSSYSA-N -1 3 396.774 3.456 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2csc(-c3cccs3)n2)on1 ZINC000105713409 564973351 /nfs/dbraw/zinc/97/33/51/564973351.db2.gz LAWPTGRBQMYOAP-JTQLQIEISA-N -1 3 397.503 3.110 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2csc(C3CCCC3)n2)on1 ZINC000105715081 564973368 /nfs/dbraw/zinc/97/33/68/564973368.db2.gz WKCLOVQAOFECOR-NSHDSACASA-N -1 3 383.495 3.039 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1Cc2ccccc2C1 ZINC000106028129 564977206 /nfs/dbraw/zinc/97/72/06/564977206.db2.gz NRLWBXYTHLQJCN-UHFFFAOYSA-N -1 3 399.299 3.204 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(Cl)c1Cl ZINC000152983563 564980012 /nfs/dbraw/zinc/98/00/12/564980012.db2.gz BGIUYGOEZGMUGS-IINYFYTJSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1Cl ZINC000152986273 564980515 /nfs/dbraw/zinc/98/05/15/564980515.db2.gz WNRBFRWRLKWKLA-SMDDNHRTSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1c(Cl)cccc1Cl ZINC000152985981 564980796 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GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000106722632 564987414 /nfs/dbraw/zinc/98/74/14/564987414.db2.gz WFUQXXYIYNABRL-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM O=C(CC1=CCCCC1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000106731112 564987819 /nfs/dbraw/zinc/98/78/19/564987819.db2.gz MTITZCDFFKPBRG-UHFFFAOYSA-N -1 3 376.400 3.356 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000106741456 564988222 /nfs/dbraw/zinc/98/82/22/564988222.db2.gz MRYOANUZCJAENC-UHFFFAOYSA-N -1 3 395.228 3.383 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)s1 ZINC000106893386 564991031 /nfs/dbraw/zinc/99/10/31/564991031.db2.gz HIWAZEMCXRHFTK-VIFPVBQESA-N -1 3 388.536 3.328 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000153296500 564991053 /nfs/dbraw/zinc/99/10/53/564991053.db2.gz VNHARSPAMYIGQX-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000153348086 564992016 /nfs/dbraw/zinc/99/20/16/564992016.db2.gz AYWWVDUZQJGRFZ-BIMULSAOSA-N -1 3 383.819 3.451 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000153376653 564992659 /nfs/dbraw/zinc/99/26/59/564992659.db2.gz QHAGXLSZWGQRQT-PCTYZZJISA-N -1 3 380.293 3.094 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@H]2CCO[C@@H]21 ZINC000153376029 564992905 /nfs/dbraw/zinc/99/29/05/564992905.db2.gz LKCWFIKULBHGGG-WQAKAFBOSA-N -1 3 394.718 3.194 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@H]2CCO[C@@H]21 ZINC000153388621 564992952 /nfs/dbraw/zinc/99/29/52/564992952.db2.gz LBFRPKROHNVNQF-WQAKAFBOSA-N -1 3 383.819 3.451 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153376255 564993012 /nfs/dbraw/zinc/99/30/12/564993012.db2.gz LKCWFIKULBHGGG-BIMULSAOSA-N -1 3 394.718 3.194 20 0 GGADHM O=C(NC1CCCCC1)c1c[n-]c2ccc(I)cc2c1=O ZINC000153409388 564993563 /nfs/dbraw/zinc/99/35/63/564993563.db2.gz GAFOKTSVOGQMSZ-UHFFFAOYSA-N -1 3 396.228 3.195 20 0 GGADHM O=C(Nc1ccccc1)c1c[n-]c2ccc(I)cc2c1=O ZINC000153415507 564994536 /nfs/dbraw/zinc/99/45/36/564994536.db2.gz LRICORDIQTVCHG-UHFFFAOYSA-N -1 3 390.180 3.385 20 0 GGADHM O=C(Nc1ccccc1)c1cnc2ccc(I)cc2c1[O-] ZINC000153415507 564994538 /nfs/dbraw/zinc/99/45/38/564994538.db2.gz LRICORDIQTVCHG-UHFFFAOYSA-N -1 3 390.180 3.385 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000107104919 564994785 /nfs/dbraw/zinc/99/47/85/564994785.db2.gz AQBVAUBMLLIQQP-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM C[C@H]1CCCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000153469063 564996360 /nfs/dbraw/zinc/99/63/60/564996360.db2.gz HIVYYYLECWTFMU-JTQLQIEISA-N -1 3 396.228 3.005 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000107309942 564997823 /nfs/dbraw/zinc/99/78/23/564997823.db2.gz IGCYUOVARCAQRJ-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)cc(C)c2)s1 ZINC000107309544 564997831 /nfs/dbraw/zinc/99/78/31/564997831.db2.gz QKADMQUWDMMDEH-CQSZACIVSA-N -1 3 380.535 3.083 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000107310441 564998069 /nfs/dbraw/zinc/99/80/69/564998069.db2.gz WRAKLLCVRKKTOT-UHFFFAOYSA-N -1 3 382.791 3.485 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2c(C)noc2C)cc1Cl ZINC000107309952 564998091 /nfs/dbraw/zinc/99/80/91/564998091.db2.gz MZKTXPWJTKXFLO-UHFFFAOYSA-N -1 3 379.265 3.128 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000107604389 565000861 /nfs/dbraw/zinc/00/08/61/565000861.db2.gz YDMGYIGCNZTHKZ-DZGCQCFKSA-N -1 3 382.844 3.137 20 0 GGADHM C[C@@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc2N1S(C)(=O)=O ZINC000153576832 565001071 /nfs/dbraw/zinc/00/10/71/565001071.db2.gz JSZRGCCNBFABFZ-SNVBAGLBSA-N -1 3 380.853 3.009 20 0 GGADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)nc12 ZINC000107742954 565002397 /nfs/dbraw/zinc/00/23/97/565002397.db2.gz BVRWXBGPZYGQDX-UHFFFAOYSA-N -1 3 384.288 3.471 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153600097 565002396 /nfs/dbraw/zinc/00/23/96/565002396.db2.gz RSQNTOSCLQRHCE-CHWSQXEVSA-N -1 3 396.559 3.160 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)cc1[O-])C(=O)c1ccc(Br)o1 ZINC000153642547 565003877 /nfs/dbraw/zinc/00/38/77/565003877.db2.gz KRGGHYJYUUZDIY-UHFFFAOYSA-N -1 3 387.617 3.112 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2c(F)cc(Br)cc2F)n1 ZINC000153675754 565006579 /nfs/dbraw/zinc/00/65/79/565006579.db2.gz SQCNOPSNMDIJAT-UHFFFAOYSA-N -1 3 391.193 3.152 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)s1 ZINC000153761779 565009987 /nfs/dbraw/zinc/00/99/87/565009987.db2.gz UCNNVCUEYLWEIZ-SECBINFHSA-N -1 3 392.955 3.236 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000153771095 565010791 /nfs/dbraw/zinc/01/07/91/565010791.db2.gz POWDZFRNSYCKKK-SSDOTTSWSA-N -1 3 399.346 3.272 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153908356 565016834 /nfs/dbraw/zinc/01/68/34/565016834.db2.gz DZKQAWFVGSVZBZ-CQSZACIVSA-N -1 3 398.937 3.352 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000108817063 565017014 /nfs/dbraw/zinc/01/70/14/565017014.db2.gz ONFUXRWLKYOFQD-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000153967774 565019122 /nfs/dbraw/zinc/01/91/22/565019122.db2.gz QWXYGWLXMYRXDH-UHFFFAOYSA-N -1 3 390.241 3.449 20 0 GGADHM Cc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000153971188 565020425 /nfs/dbraw/zinc/02/04/25/565020425.db2.gz GOVUWQKOTCGWLU-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM CCCN(CCC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000154126116 565027166 /nfs/dbraw/zinc/02/71/66/565027166.db2.gz SZZYVQZWAINYCL-UHFFFAOYSA-N -1 3 398.244 3.395 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c2)cs1 ZINC000154175813 565028753 /nfs/dbraw/zinc/02/87/53/565028753.db2.gz ZPCQNJRRDPAARD-OAHLLOKOSA-N -1 3 381.523 3.021 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)Cc1nc2ccccc2s1 ZINC000154212540 565029192 /nfs/dbraw/zinc/02/91/92/565029192.db2.gz SDIATYRPBCSWEX-SNVBAGLBSA-N -1 3 396.515 3.054 20 0 GGADHM Cc1c(I)cccc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000154216095 565030101 /nfs/dbraw/zinc/03/01/01/565030101.db2.gz WPLXJFGKNWYQQC-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1c(I)cccc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000154216095 565030102 /nfs/dbraw/zinc/03/01/02/565030102.db2.gz WPLXJFGKNWYQQC-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1c(I)cccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000154216095 565030106 /nfs/dbraw/zinc/03/01/06/565030106.db2.gz WPLXJFGKNWYQQC-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000109815345 565032118 /nfs/dbraw/zinc/03/21/18/565032118.db2.gz OZZZILROADMOGU-RISCZKNCSA-N -1 3 394.306 3.462 20 0 GGADHM Cn1c(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)nc2c1cccc2F ZINC000109839355 565032297 /nfs/dbraw/zinc/03/22/97/565032297.db2.gz RJPKNCKYLMJBBV-UHFFFAOYSA-N -1 3 385.823 3.026 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(COCC(F)(F)F)cc1 ZINC000154374261 565036183 /nfs/dbraw/zinc/03/61/83/565036183.db2.gz SWBVBJNWMZDRHU-UHFFFAOYSA-N -1 3 395.424 3.314 20 0 GGADHM Cc1ccc2nc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)sc2c1 ZINC000110161694 565036869 /nfs/dbraw/zinc/03/68/69/565036869.db2.gz ADGMYVMNAVZGIT-UHFFFAOYSA-N -1 3 381.504 3.169 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OCC(F)F)nc1 ZINC000154401976 565037606 /nfs/dbraw/zinc/03/76/06/565037606.db2.gz XVDOHHVWVPJYDL-UHFFFAOYSA-N -1 3 387.180 3.124 20 0 GGADHM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000110247777 565038500 /nfs/dbraw/zinc/03/85/00/565038500.db2.gz QFGZUQOZDCWYKY-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM Cc1ccc2cccc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)c2n1 ZINC000110277318 565038506 /nfs/dbraw/zinc/03/85/06/565038506.db2.gz IHPDNAKVMJGJAU-UHFFFAOYSA-N -1 3 375.475 3.107 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@H]1C ZINC000110462711 565040491 /nfs/dbraw/zinc/04/04/91/565040491.db2.gz GHZYZWRCHUTESF-GHMZBOCLSA-N -1 3 379.309 3.061 20 0 GGADHM Cc1cnc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)cn1 ZINC000110415729 565040667 /nfs/dbraw/zinc/04/06/67/565040667.db2.gz CVLAQFGVHISTAP-UHFFFAOYSA-N -1 3 376.239 3.318 20 0 GGADHM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000154490497 565041160 /nfs/dbraw/zinc/04/11/60/565041160.db2.gz ORFRDIJQAVFKSV-UHFFFAOYSA-N -1 3 382.507 3.256 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000110590636 565042665 /nfs/dbraw/zinc/04/26/65/565042665.db2.gz LXXKOPWAYQJILM-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM CCCCN1CCC([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000154512050 565042802 /nfs/dbraw/zinc/04/28/02/565042802.db2.gz LDOLDXTVLPDPPP-UHFFFAOYSA-N -1 3 393.322 3.131 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1OC ZINC000110590543 565042825 /nfs/dbraw/zinc/04/28/25/565042825.db2.gz QAZNKLVFBXFFAX-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM COCCS(=O)(=O)[N-]c1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000154515067 565042874 /nfs/dbraw/zinc/04/28/74/565042874.db2.gz BORKXYGKESHMFR-UHFFFAOYSA-N -1 3 382.869 3.005 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154533467 565043358 /nfs/dbraw/zinc/04/33/58/565043358.db2.gz IABDRYRBDVNCEU-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM CCCCO[C@@H](C)C(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000110688510 565044236 /nfs/dbraw/zinc/04/42/36/565044236.db2.gz IOJAVWPVBRGXQU-NSHDSACASA-N -1 3 378.441 3.260 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cnc(CC)s2)c(F)cc1F ZINC000110688421 565044288 /nfs/dbraw/zinc/04/42/88/565044288.db2.gz JUNSCMWXDSMLRT-UHFFFAOYSA-N -1 3 389.449 3.388 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000154666322 565048296 /nfs/dbraw/zinc/04/82/96/565048296.db2.gz UVGUZXUGOLSVOQ-WQAKAFBOSA-N -1 3 394.718 3.194 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1sccc1-c1ccccc1 ZINC000154883654 565055441 /nfs/dbraw/zinc/05/54/41/565055441.db2.gz LKEPAQRWOGTGMN-UHFFFAOYSA-N -1 3 392.527 3.185 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N(C)Cc1ccccc1 ZINC000154878813 565055699 /nfs/dbraw/zinc/05/56/99/565055699.db2.gz ABTRXOBJZOOWGE-ZDUSSCGKSA-N -1 3 377.282 3.405 20 0 GGADHM COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000155016418 565059519 /nfs/dbraw/zinc/05/95/19/565059519.db2.gz LWWQVHIQHGSQTQ-MRXNPFEDSA-N -1 3 392.249 3.449 20 0 GGADHM COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000155050855 565060094 /nfs/dbraw/zinc/06/00/94/565060094.db2.gz LTOCWXYXSXFZEX-MRXNPFEDSA-N -1 3 392.249 3.449 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(OCC(F)(F)F)c1 ZINC000155085010 565061465 /nfs/dbraw/zinc/06/14/65/565061465.db2.gz KSQOWOFPEYYRAD-UHFFFAOYSA-N -1 3 381.397 3.176 20 0 GGADHM CCOc1cc([C@@H]2NC(=O)CN2Cc2ccccc2)cc(Br)c1[O-] ZINC000112370230 565063001 /nfs/dbraw/zinc/06/30/01/565063001.db2.gz ZVCJOGIRPCARMH-GOSISDBHSA-N -1 3 391.265 3.184 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000112360953 565063006 /nfs/dbraw/zinc/06/30/06/565063006.db2.gz XKXLDWXTTJWKKN-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000112362160 565063186 /nfs/dbraw/zinc/06/31/86/565063186.db2.gz YTSGSRBURUTYAS-CQSZACIVSA-N -1 3 385.873 3.285 20 0 GGADHM CN(C(=O)Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3)C1CCCCC1 ZINC000112404440 565063588 /nfs/dbraw/zinc/06/35/88/565063588.db2.gz NZMQVUKUYVLBAK-UHFFFAOYSA-N -1 3 377.535 3.357 20 0 GGADHM O=C(NCc1ccc(F)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112625815 565065044 /nfs/dbraw/zinc/06/50/44/565065044.db2.gz UPVNUHBBKQSETO-UHFFFAOYSA-N -1 3 375.197 3.360 20 0 GGADHM O=C(NCc1cc(F)ccc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112635940 565065186 /nfs/dbraw/zinc/06/51/86/565065186.db2.gz AOOXOMLBAIQINW-UHFFFAOYSA-N -1 3 393.187 3.499 20 0 GGADHM O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112629033 565065301 /nfs/dbraw/zinc/06/53/01/565065301.db2.gz AOLDPHWRUHLDAT-ZDUSSCGKSA-N -1 3 399.244 3.024 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000112672509 565065367 /nfs/dbraw/zinc/06/53/67/565065367.db2.gz XYHCIKWNEWBZGQ-YOEHRIQHSA-N -1 3 380.535 3.271 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2coc(-c3cccs3)n2)[n-]1 ZINC000155279893 565065660 /nfs/dbraw/zinc/06/56/60/565065660.db2.gz IZQYZAKEMLNOAA-RUZDIDTESA-N -1 3 389.380 3.366 20 0 GGADHM C[C@@H](CC1CC1)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000112690491 565065646 /nfs/dbraw/zinc/06/56/46/565065646.db2.gz HJTULQPGTJPGEG-NSHDSACASA-N -1 3 384.548 3.207 20 0 GGADHM CC1(C)CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000112681825 565065677 /nfs/dbraw/zinc/06/56/77/565065677.db2.gz NFAJCCOWDOPWNO-UHFFFAOYSA-N -1 3 393.336 3.310 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1ccc(C(F)(F)F)cc1 ZINC000155322851 565066309 /nfs/dbraw/zinc/06/63/09/565066309.db2.gz PWAMNKZAESNDGY-UHFFFAOYSA-N -1 3 381.397 3.133 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000155342393 565066524 /nfs/dbraw/zinc/06/65/24/565066524.db2.gz NVMUVGDBFKFIAC-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1nnc(SCCO)[n-]1 ZINC000155407525 565067149 /nfs/dbraw/zinc/06/71/49/565067149.db2.gz WIVUPMWVFKFHOV-UHFFFAOYSA-N -1 3 381.310 3.219 20 0 GGADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1nc(SCCO)n[n-]1 ZINC000155407525 565067150 /nfs/dbraw/zinc/06/71/50/565067150.db2.gz WIVUPMWVFKFHOV-UHFFFAOYSA-N -1 3 381.310 3.219 20 0 GGADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1n[n-]c(SCCO)n1 ZINC000155407525 565067151 /nfs/dbraw/zinc/06/71/51/565067151.db2.gz WIVUPMWVFKFHOV-UHFFFAOYSA-N -1 3 381.310 3.219 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000155513621 565068489 /nfs/dbraw/zinc/06/84/89/565068489.db2.gz KQSVSHWYFXXHBE-UHFFFAOYSA-N -1 3 388.898 3.107 20 0 GGADHM CCC[C@H](C)CS(=O)(=O)[N-]CC(=O)Nc1cc(Br)ccc1C ZINC000113286235 565069046 /nfs/dbraw/zinc/06/90/46/565069046.db2.gz WTHQSQIJKPAONH-NSHDSACASA-N -1 3 391.331 3.052 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1sccc1Br ZINC000113301224 565069393 /nfs/dbraw/zinc/06/93/93/565069393.db2.gz NBNKKAJNSBJWKZ-NSHDSACASA-N -1 3 381.361 3.053 20 0 GGADHM [O-]c1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1Br ZINC000155594010 565069597 /nfs/dbraw/zinc/06/95/97/565069597.db2.gz ULJPMFNSFSNSNA-UHFFFAOYSA-N -1 3 388.147 3.223 20 0 GGADHM Cc1nc(S(=O)(=O)CCCOCC(F)(F)F)[n-]c1Cc1ccccc1 ZINC000113636513 565070515 /nfs/dbraw/zinc/07/05/15/565070515.db2.gz OJDRKHNXJVFIPM-UHFFFAOYSA-N -1 3 376.400 3.052 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CCCOCC(F)(F)F)nc1Cc1ccccc1 ZINC000113636513 565070517 /nfs/dbraw/zinc/07/05/17/565070517.db2.gz OJDRKHNXJVFIPM-UHFFFAOYSA-N -1 3 376.400 3.052 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000155761093 565071319 /nfs/dbraw/zinc/07/13/19/565071319.db2.gz JOLUSVGICNEIEO-ZWZTZDBGSA-N -1 3 392.304 3.238 20 0 GGADHM CCOC[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000113909922 565071397 /nfs/dbraw/zinc/07/13/97/565071397.db2.gz QCSJZIXMCWGEOY-LBPRGKRZSA-N -1 3 393.281 3.179 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(c2ccccc2)CCCC1 ZINC000113914540 565071480 /nfs/dbraw/zinc/07/14/80/565071480.db2.gz VMEFKBSZNFBCHU-CQSZACIVSA-N -1 3 378.519 3.001 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)s2)cs1 ZINC000155815422 565071990 /nfs/dbraw/zinc/07/19/90/565071990.db2.gz YHGRTBUPVLCJLO-XZJROXQQSA-N -1 3 396.559 3.416 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000114113682 565072122 /nfs/dbraw/zinc/07/21/22/565072122.db2.gz IHQAVOOGTYQMIU-WFASDCNBSA-N -1 3 381.523 3.021 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1C(F)(F)F ZINC000155850883 565072156 /nfs/dbraw/zinc/07/21/56/565072156.db2.gz AQZACNMNIWEBDT-GDLCADMTSA-N -1 3 379.375 3.080 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1C(F)(F)F ZINC000155851114 565072207 /nfs/dbraw/zinc/07/22/07/565072207.db2.gz AQZACNMNIWEBDT-HONMWMINSA-N -1 3 379.375 3.080 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(C(F)(F)F)ccc1F ZINC000155850630 565072236 /nfs/dbraw/zinc/07/22/36/565072236.db2.gz NRVDNMOKIMMPDA-HONMWMINSA-N -1 3 379.375 3.080 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000114182615 565072796 /nfs/dbraw/zinc/07/27/96/565072796.db2.gz VLFGOJVDRHOQCJ-XHDPSFHLSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000114225752 565072876 /nfs/dbraw/zinc/07/28/76/565072876.db2.gz SUGPNIDANSCPMK-NOZJJQNGSA-N -1 3 387.552 3.082 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(NC(=O)CC(C)C)c1 ZINC000155967334 565073545 /nfs/dbraw/zinc/07/35/45/565073545.db2.gz KVTNGWVKLMLXGQ-UHFFFAOYSA-N -1 3 382.507 3.220 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000156011524 565073778 /nfs/dbraw/zinc/07/37/78/565073778.db2.gz WEFDSGSIAZTQDS-UHFFFAOYSA-N -1 3 380.363 3.436 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000114390866 565074134 /nfs/dbraw/zinc/07/41/34/565074134.db2.gz LAMVFCOMSSKRCA-AWEZNQCLSA-N -1 3 399.244 3.414 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Br)c(Cl)c1 ZINC000156060669 565074544 /nfs/dbraw/zinc/07/45/44/565074544.db2.gz KHXFQXYIBJXFHL-LERXQTSPSA-N -1 3 394.718 3.338 20 0 GGADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1OC ZINC000114496820 565074655 /nfs/dbraw/zinc/07/46/55/565074655.db2.gz HPGSVKZQFCVXAT-SECBINFHSA-N -1 3 375.368 3.161 20 0 GGADHM O=c1nc(Cc2nccn2CC(F)(F)F)[n-]c2sc3c(c21)CCSC3 ZINC000114559241 565074930 /nfs/dbraw/zinc/07/49/30/565074930.db2.gz QXCNNFMITVHJKF-UHFFFAOYSA-N -1 3 386.424 3.124 20 0 GGADHM O=c1nc(Cn2cc(Br)cn2)[n-]c2sc3c(c21)CCCCC3 ZINC000156123092 565075282 /nfs/dbraw/zinc/07/52/82/565075282.db2.gz MORUUJBLDAUYBG-UHFFFAOYSA-N -1 3 379.283 3.261 20 0 GGADHM CC[C@H](CSc1ccccc1)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000156287138 565078695 /nfs/dbraw/zinc/07/86/95/565078695.db2.gz ZLNHAZCIIIOVGG-ZIAGYGMSSA-N -1 3 398.575 3.102 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H](CO)c1cccc(Br)c1 ZINC000183597872 565081072 /nfs/dbraw/zinc/08/10/72/565081072.db2.gz CEHSYYOYKOWBOR-HNNXBMFYSA-N -1 3 384.657 3.200 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)o1 ZINC000291883934 565083380 /nfs/dbraw/zinc/08/33/80/565083380.db2.gz HGCZOJNLOFFFLZ-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM O=S(=O)(c1ccc(NC([O-])=NOCCC(F)(F)F)cc1)C1CCCC1 ZINC000156453046 565088537 /nfs/dbraw/zinc/08/85/37/565088537.db2.gz FYLYCMOFAVLMAR-UHFFFAOYSA-N -1 3 380.388 3.408 20 0 GGADHM O=C([N-]OCCC(F)(F)F)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000156453046 565088541 /nfs/dbraw/zinc/08/85/41/565088541.db2.gz FYLYCMOFAVLMAR-UHFFFAOYSA-N -1 3 380.388 3.408 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000291952375 565088699 /nfs/dbraw/zinc/08/86/99/565088699.db2.gz OJTTVUPCNZIVJR-DIFFPNOSSA-N -1 3 378.475 3.011 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000291952377 565088873 /nfs/dbraw/zinc/08/88/73/565088873.db2.gz OJTTVUPCNZIVJR-GTNSWQLSSA-N -1 3 378.475 3.011 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000266692014 565089180 /nfs/dbraw/zinc/08/91/80/565089180.db2.gz CNAGXWWRCCSJHE-JTQLQIEISA-N -1 3 382.433 3.369 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)o1 ZINC000291976119 565089884 /nfs/dbraw/zinc/08/98/84/565089884.db2.gz RFXNYSNACVEOIV-UHFFFAOYSA-N -1 3 379.265 3.339 20 0 GGADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156532133 565092431 /nfs/dbraw/zinc/09/24/31/565092431.db2.gz RIHDEJXKYFKBOS-CQSZACIVSA-N -1 3 397.313 3.198 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000156540385 565093886 /nfs/dbraw/zinc/09/38/86/565093886.db2.gz FRSJWAQMJBFCJE-LBPRGKRZSA-N -1 3 383.491 3.428 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000156570586 565094703 /nfs/dbraw/zinc/09/47/03/565094703.db2.gz AHUORPZAXCMFQX-PELKAZGASA-N -1 3 397.722 3.005 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCn2cc(Br)ccc2=O)c1[O-] ZINC000156577951 565095379 /nfs/dbraw/zinc/09/53/79/565095379.db2.gz XMRAXQMGIOOSCQ-UHFFFAOYSA-N -1 3 385.645 3.307 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156588470 565096120 /nfs/dbraw/zinc/09/61/20/565096120.db2.gz QFAGJVNTHOTEHX-UHFFFAOYSA-N -1 3 391.262 3.180 20 0 GGADHM COC(=O)C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCCC1 ZINC000183814408 565096887 /nfs/dbraw/zinc/09/68/87/565096887.db2.gz GAEHPVRXJQQSHV-UHFFFAOYSA-N -1 3 399.285 3.077 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)o1 ZINC000292091173 565097719 /nfs/dbraw/zinc/09/77/19/565097719.db2.gz SIJILSQXUQNEFU-UHFFFAOYSA-N -1 3 388.873 3.085 20 0 GGADHM Cc1nc(C)c(CC(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000156638193 565099448 /nfs/dbraw/zinc/09/94/48/565099448.db2.gz XXDFCXWFJIZRTQ-XHDPSFHLSA-N -1 3 380.275 3.156 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc3nc(Cl)cnc3c2)o1 ZINC000292122673 565100158 /nfs/dbraw/zinc/10/01/58/565100158.db2.gz WWKWFXSGOYYOPC-UHFFFAOYSA-N -1 3 380.857 3.011 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)n2)CC1 ZINC000369683329 565106087 /nfs/dbraw/zinc/10/60/87/565106087.db2.gz WLSHOBAFEJQHTC-UHFFFAOYSA-N -1 3 389.308 3.257 20 0 GGADHM C[C@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000183977294 565108568 /nfs/dbraw/zinc/10/85/68/565108568.db2.gz YCRPLJSRXDODJU-JTQLQIEISA-N -1 3 388.272 3.350 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000156850350 565109033 /nfs/dbraw/zinc/10/90/33/565109033.db2.gz JDQDFUKTLUBDKD-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM CC(C)c1[nH]nc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c1Br ZINC000636354967 565109041 /nfs/dbraw/zinc/10/90/41/565109041.db2.gz ZLPLHPBTFGYBCN-ZETCQYMHSA-N -1 3 386.275 3.251 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000156867435 565109572 /nfs/dbraw/zinc/10/95/72/565109572.db2.gz SQUSILHOLZPOJU-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000156904153 565110104 /nfs/dbraw/zinc/11/01/04/565110104.db2.gz YLQORDWTQYGDBL-INIZCTEOSA-N -1 3 379.243 3.163 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(C[S@](=O)c3cccc([O-])c3)cs2)cc1 ZINC000184033220 565111082 /nfs/dbraw/zinc/11/10/82/565111082.db2.gz XJROWMNXNYMKFR-DEOSSOPVSA-N -1 3 393.511 3.227 20 0 GGADHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000156927544 565112336 /nfs/dbraw/zinc/11/23/36/565112336.db2.gz MBMZFPFFZOQWOP-UHFFFAOYSA-N -1 3 391.265 3.184 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000292403695 565114059 /nfs/dbraw/zinc/11/40/59/565114059.db2.gz TVKRSUINCRYYAL-GFCCVEGCSA-N -1 3 392.543 3.119 20 0 GGADHM COCC(=O)N1CCc2c1cccc2NCc1cc([O-])ccc1Br ZINC000184129003 565115153 /nfs/dbraw/zinc/11/51/53/565115153.db2.gz UNTJHPVMUKOLBM-UHFFFAOYSA-N -1 3 391.265 3.302 20 0 GGADHM CC(C)c1nc(C(=O)[N-]c2nncn2C)nn1-c1c(Cl)cccc1Cl ZINC000157013555 565116336 /nfs/dbraw/zinc/11/63/36/565116336.db2.gz LUUWNODUTNIYCP-UHFFFAOYSA-N -1 3 380.239 3.078 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000267471929 565118100 /nfs/dbraw/zinc/11/81/00/565118100.db2.gz XTNKYZZDDHBHJH-UHFFFAOYSA-N -1 3 381.192 3.368 20 0 GGADHM CCc1ncsc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000157104518 565118128 /nfs/dbraw/zinc/11/81/28/565118128.db2.gz RTIJXPZINIREER-UHFFFAOYSA-N -1 3 385.536 3.194 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H](CSC)C3)nc(=O)c2c1C ZINC000292480904 565119066 /nfs/dbraw/zinc/11/90/66/565119066.db2.gz SBNQIHFGDFECOC-NSHDSACASA-N -1 3 381.523 3.067 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1 ZINC000157116563 565120367 /nfs/dbraw/zinc/12/03/67/565120367.db2.gz NNGJMKZPCKHNHJ-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C3SCCS3)c2)c(C)o1 ZINC000267541466 565121179 /nfs/dbraw/zinc/12/11/79/565121179.db2.gz BUHAOIOWRSAWPT-UHFFFAOYSA-N -1 3 398.531 3.227 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CC1CCN(Cc2cccs2)CC1 ZINC000157163076 565121717 /nfs/dbraw/zinc/12/17/17/565121717.db2.gz BMZLCJXWEPDQNX-UHFFFAOYSA-N -1 3 386.564 3.009 20 0 GGADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000292553205 565121766 /nfs/dbraw/zinc/12/17/66/565121766.db2.gz HSMLYTSIDKXVBB-CYBMUJFWSA-N -1 3 385.869 3.135 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292570524 565123130 /nfs/dbraw/zinc/12/31/30/565123130.db2.gz LFZYHNONAVAQFQ-AWEZNQCLSA-N -1 3 383.286 3.113 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@H]1OCCc2sccc21 ZINC000292575729 565123393 /nfs/dbraw/zinc/12/33/93/565123393.db2.gz ZLGUJQDZDASFAS-MEDUHNTESA-N -1 3 380.491 3.008 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1cc(Br)ccc1Cl ZINC000184270486 565124223 /nfs/dbraw/zinc/12/42/23/565124223.db2.gz PODJOGFOMYZIEI-NSHDSACASA-N -1 3 394.674 3.098 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cs1 ZINC000267612783 565124336 /nfs/dbraw/zinc/12/43/36/565124336.db2.gz IAZXMLLQBQDJEH-MRVPVSSYSA-N -1 3 398.403 3.487 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1ccc(Br)cc1Cl ZINC000184279534 565125178 /nfs/dbraw/zinc/12/51/78/565125178.db2.gz ZYHFBOJYWNBARY-NSHDSACASA-N -1 3 394.674 3.098 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1ccc(Br)c(Cl)c1 ZINC000184286016 565125600 /nfs/dbraw/zinc/12/56/00/565125600.db2.gz ZOVFVXBRCTYOPD-LBPRGKRZSA-N -1 3 394.674 3.098 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1 ZINC000267661615 565125941 /nfs/dbraw/zinc/12/59/41/565125941.db2.gz WVFJUPQSXQIKJA-QMMMGPOBSA-N -1 3 398.403 3.487 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cccc(OC(F)(F)F)c1F ZINC000292664515 565128118 /nfs/dbraw/zinc/12/81/18/565128118.db2.gz QVAXIOAPEVUOBC-SNVBAGLBSA-N -1 3 383.363 3.104 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1F ZINC000267732822 565128553 /nfs/dbraw/zinc/12/85/53/565128553.db2.gz MTEKTSAWLFDDKP-UHFFFAOYSA-N -1 3 382.379 3.002 20 0 GGADHM CSc1c(F)cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1F ZINC000184349950 565129492 /nfs/dbraw/zinc/12/94/92/565129492.db2.gz KPACBUWRQVBRLW-MRVPVSSYSA-N -1 3 392.474 3.054 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)C2CC2)n1 ZINC000292713567 565130896 /nfs/dbraw/zinc/13/08/96/565130896.db2.gz MGDLIBGAIQGSNS-KRWDZBQOSA-N -1 3 376.503 3.400 20 0 GGADHM C[S@](=O)Cc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000184366925 565131303 /nfs/dbraw/zinc/13/13/03/565131303.db2.gz WGIHTSAUMCLZLF-QHCPKHFHSA-N -1 3 397.294 3.355 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCC(=O)Nc1cccc(Cl)c1C ZINC000157452695 565132199 /nfs/dbraw/zinc/13/21/99/565132199.db2.gz ROUAGJXOZTUNPQ-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000157500025 565133942 /nfs/dbraw/zinc/13/39/42/565133942.db2.gz RLHIMWSQIUJJSB-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM COc1cccc(F)c1[N-]C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000184455792 565135541 /nfs/dbraw/zinc/13/55/41/565135541.db2.gz DULIWRAJKNYKFJ-UHFFFAOYSA-N -1 3 395.188 3.082 20 0 GGADHM Cc1nc(-c2ccccc2)sc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000184501748 565138950 /nfs/dbraw/zinc/13/89/50/565138950.db2.gz HWXWGTMDRMROFY-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM COC(=O)c1cc(Br)ccc1NC([O-])=NOCCC(F)(F)F ZINC000157660635 565139540 /nfs/dbraw/zinc/13/95/40/565139540.db2.gz KWHZVMLKNMSYPS-UHFFFAOYSA-N -1 3 385.136 3.241 20 0 GGADHM COC(=O)c1cc(Br)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000157660635 565139554 /nfs/dbraw/zinc/13/95/54/565139554.db2.gz KWHZVMLKNMSYPS-UHFFFAOYSA-N -1 3 385.136 3.241 20 0 GGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)s1 ZINC000292962761 565143048 /nfs/dbraw/zinc/14/30/48/565143048.db2.gz CWLYGLKCYXZXCS-UHFFFAOYSA-N -1 3 382.898 3.089 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000157793169 565144554 /nfs/dbraw/zinc/14/45/54/565144554.db2.gz OYJGCAUPDRDBDW-CABCVRRESA-N -1 3 379.503 3.224 20 0 GGADHM CSc1c(F)cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1F ZINC000184607947 565147817 /nfs/dbraw/zinc/14/78/17/565147817.db2.gz KYXGYBDFRDSKFF-UHFFFAOYSA-N -1 3 392.474 3.055 20 0 GGADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1ncoc1C1CC1 ZINC000293049428 565148294 /nfs/dbraw/zinc/14/82/94/565148294.db2.gz RKRJHALQCAZRID-UHFFFAOYSA-N -1 3 388.225 3.207 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c(=O)[n-]1 ZINC000370524477 565148314 /nfs/dbraw/zinc/14/83/14/565148314.db2.gz ABDSCNKUZDKLBR-VXGBXAGGSA-N -1 3 396.310 3.228 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(Br)s2)s1 ZINC000157919516 565148990 /nfs/dbraw/zinc/14/89/90/565148990.db2.gz HOOVISKRGQSMRM-UHFFFAOYSA-N -1 3 390.284 3.110 20 0 GGADHM COc1cc(Cl)c(CNCC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000157923077 565149291 /nfs/dbraw/zinc/14/92/91/565149291.db2.gz VBFDJEGFUXBGFV-UHFFFAOYSA-N -1 3 395.333 3.132 20 0 GGADHM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)no1 ZINC000184701278 565152626 /nfs/dbraw/zinc/15/26/26/565152626.db2.gz FUKCSVIURGXLEE-UHFFFAOYSA-N -1 3 386.857 3.299 20 0 GGADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1ncoc1C1CC1 ZINC000293157815 565153810 /nfs/dbraw/zinc/15/38/10/565153810.db2.gz VLEZOCGISHYMAQ-UHFFFAOYSA-N -1 3 388.225 3.207 20 0 GGADHM COCc1nc(S[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)n[n-]1 ZINC000268498330 565154723 /nfs/dbraw/zinc/15/47/23/565154723.db2.gz REVLXWJPRSQBET-SECBINFHSA-N -1 3 385.287 3.141 20 0 GGADHM COCc1nc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n[n-]1 ZINC000268513316 565155752 /nfs/dbraw/zinc/15/57/52/565155752.db2.gz XHZHCPGINRPAQA-SNVBAGLBSA-N -1 3 375.479 3.194 20 0 GGADHM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000293221021 565156789 /nfs/dbraw/zinc/15/67/89/565156789.db2.gz VMFYILAKCCQPOM-SECBINFHSA-N -1 3 379.429 3.200 20 0 GGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000184818645 565157203 /nfs/dbraw/zinc/15/72/03/565157203.db2.gz YKFOSHDEYPOJRX-QMMMGPOBSA-N -1 3 391.262 3.103 20 0 GGADHM COCc1nc(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000268562324 565157511 /nfs/dbraw/zinc/15/75/11/565157511.db2.gz SKCJOXBBDZAMQF-UHFFFAOYSA-N -1 3 375.281 3.009 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2cccs2)c1 ZINC000158257045 565162147 /nfs/dbraw/zinc/16/21/47/565162147.db2.gz FFKCPEAVWGQMIF-HZMBPMFUSA-N -1 3 387.910 3.395 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2cccs2)c1 ZINC000158257201 565163082 /nfs/dbraw/zinc/16/30/82/565163082.db2.gz FFKCPEAVWGQMIF-YGRLFVJLSA-N -1 3 387.910 3.395 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc3c2N1CCC3 ZINC000184892476 565163985 /nfs/dbraw/zinc/16/39/85/565163985.db2.gz YUAOILORWGQWLR-UHFFFAOYSA-N -1 3 380.828 3.115 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1Cl ZINC000184897318 565164028 /nfs/dbraw/zinc/16/40/28/565164028.db2.gz WGNQKHAVFCBSQQ-UHFFFAOYSA-N -1 3 376.865 3.285 20 0 GGADHM Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000158293723 565165395 /nfs/dbraw/zinc/16/53/95/565165395.db2.gz VCJGVAOIWAOCKP-UHFFFAOYSA-N -1 3 393.665 3.302 20 0 GGADHM CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000184933070 565166400 /nfs/dbraw/zinc/16/64/00/565166400.db2.gz NMOIMYPBKJWCCU-UHFFFAOYSA-N -1 3 390.933 3.027 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1c[n-]nn1 ZINC000158404241 565169222 /nfs/dbraw/zinc/16/92/22/565169222.db2.gz GVRSZWDHTFFLIQ-HNNXBMFYSA-N -1 3 375.201 3.226 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1cnn[n-]1 ZINC000158404241 565169228 /nfs/dbraw/zinc/16/92/28/565169228.db2.gz GVRSZWDHTFFLIQ-HNNXBMFYSA-N -1 3 375.201 3.226 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1cn[n-]n1 ZINC000158404241 565169234 /nfs/dbraw/zinc/16/92/34/565169234.db2.gz GVRSZWDHTFFLIQ-HNNXBMFYSA-N -1 3 375.201 3.226 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)no1 ZINC000268843090 565169705 /nfs/dbraw/zinc/16/97/05/565169705.db2.gz IDTDRKSMLPMPBA-UHFFFAOYSA-N -1 3 384.508 3.085 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CO)c3ccccc3)s2)cs1 ZINC000158446673 565170014 /nfs/dbraw/zinc/17/00/14/565170014.db2.gz MMGLYGDCPAFZOF-ZDUSSCGKSA-N -1 3 380.516 3.192 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293466046 565170031 /nfs/dbraw/zinc/17/00/31/565170031.db2.gz DNKNIURASZASBQ-UHFFFAOYSA-N -1 3 382.913 3.364 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCn3ccnc3C)s2)cs1 ZINC000268896154 565170591 /nfs/dbraw/zinc/17/05/91/565170591.db2.gz VSYJOBIEGUKPSS-UHFFFAOYSA-N -1 3 382.536 3.054 20 0 GGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cccnc1OCC(F)(F)F ZINC000268916189 565172196 /nfs/dbraw/zinc/17/21/96/565172196.db2.gz BVCWXDJTFVCHLI-UHFFFAOYSA-N -1 3 386.277 3.231 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000185044091 565174392 /nfs/dbraw/zinc/17/43/92/565174392.db2.gz FZZMLXKNYZEFOT-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000158747476 565179910 /nfs/dbraw/zinc/17/99/10/565179910.db2.gz RSWGVFHKDJDIOE-HNNXBMFYSA-N -1 3 383.828 3.232 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000158796857 565182609 /nfs/dbraw/zinc/18/26/09/565182609.db2.gz MSWLZMPFRONFTB-UHFFFAOYSA-N -1 3 379.865 3.351 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)CCC)cc1 ZINC000158813563 565183179 /nfs/dbraw/zinc/18/31/79/565183179.db2.gz YLESQDQLPQQUCV-UHFFFAOYSA-N -1 3 376.544 3.085 20 0 GGADHM [O-]c1ccc(Br)c(CNCc2ccnc(OC3CCOCC3)c2)c1 ZINC000269270682 565183607 /nfs/dbraw/zinc/18/36/07/565183607.db2.gz GIEPZYIRLXOQAM-UHFFFAOYSA-N -1 3 393.281 3.397 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1nc(C)cs1 ZINC000158805700 565183739 /nfs/dbraw/zinc/18/37/39/565183739.db2.gz ARZOJCVCYGOGHU-GFCCVEGCSA-N -1 3 388.898 3.321 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000269260432 565183843 /nfs/dbraw/zinc/18/38/43/565183843.db2.gz AEUKJQHJSIUNCL-CYBMUJFWSA-N -1 3 388.580 3.068 20 0 GGADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[N-]c1nc(C)n(C)n1 ZINC000293794648 565184463 /nfs/dbraw/zinc/18/44/63/565184463.db2.gz XDMXUYSIXMEVBB-UHFFFAOYSA-N -1 3 379.251 3.236 20 0 GGADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000158838187 565184646 /nfs/dbraw/zinc/18/46/46/565184646.db2.gz WFNXIUHTPKOOST-NEPJUHHUSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C(F)(F)F ZINC000293789934 565184995 /nfs/dbraw/zinc/18/49/95/565184995.db2.gz UFSDZZSEHOKZKC-YFKPBYRVSA-N -1 3 378.656 3.244 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1sc(C)nc1C)OC(C)C ZINC000185188287 565185429 /nfs/dbraw/zinc/18/54/29/565185429.db2.gz HLHSNULRJGLNEM-MRXNPFEDSA-N -1 3 384.523 3.213 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000158884994 565186152 /nfs/dbraw/zinc/18/61/52/565186152.db2.gz IISZGFAHMNUINF-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM Cc1ccc(SC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000185213863 565186799 /nfs/dbraw/zinc/18/67/99/565186799.db2.gz XUSASUAIIGKKKB-CQSZACIVSA-N -1 3 398.575 3.022 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1ccc(Cl)cc1F ZINC000269360419 565187054 /nfs/dbraw/zinc/18/70/54/565187054.db2.gz VNDBDIIHNHKLOJ-GFCCVEGCSA-N -1 3 379.906 3.202 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccnn1Cc1ccccc1Br ZINC000158919134 565187574 /nfs/dbraw/zinc/18/75/74/565187574.db2.gz SAMAZOBJQBOPOU-OAHLLOKOSA-N -1 3 395.257 3.274 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000185268518 565191833 /nfs/dbraw/zinc/19/18/33/565191833.db2.gz GZFPAVQQXTXBTP-OAHLLOKOSA-N -1 3 396.260 3.220 20 0 GGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2ncsc2C(F)(F)F)n1 ZINC000293986857 565192639 /nfs/dbraw/zinc/19/26/39/565192639.db2.gz KESKYOHLCREAKO-UHFFFAOYSA-N -1 3 379.385 3.321 20 0 GGADHM O=C(Nc1ccncc1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000159227344 565197955 /nfs/dbraw/zinc/19/79/55/565197955.db2.gz XHARTORDSZLAJX-UHFFFAOYSA-N -1 3 379.507 3.397 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@](C)(O)c2ccsc2)s1 ZINC000269768791 565200145 /nfs/dbraw/zinc/20/01/45/565200145.db2.gz LZORTVDWRFHAII-GFCCVEGCSA-N -1 3 396.353 3.067 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Cl)c(Cl)cc2OC)s1 ZINC000269777952 565200057 /nfs/dbraw/zinc/20/00/57/565200057.db2.gz DEARRFVARYDIQK-UHFFFAOYSA-N -1 3 390.248 3.211 20 0 GGADHM CS[C@H](C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000269891769 565202346 /nfs/dbraw/zinc/20/23/46/565202346.db2.gz LIPNDSKIPYYQFD-LLVKDONJSA-N -1 3 385.917 3.157 20 0 GGADHM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000159340837 565202576 /nfs/dbraw/zinc/20/25/76/565202576.db2.gz JNJZNRNNQGTCGM-SNVBAGLBSA-N -1 3 389.308 3.002 20 0 GGADHM CNC(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000159358059 565202635 /nfs/dbraw/zinc/20/26/35/565202635.db2.gz GFZQJDITLPCHCS-UHFFFAOYSA-N -1 3 392.253 3.144 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c(Cl)cc1Cl ZINC000269953909 565203462 /nfs/dbraw/zinc/20/34/62/565203462.db2.gz SGVMOPAGLGBKJI-SECBINFHSA-N -1 3 396.292 3.016 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159342981 565203516 /nfs/dbraw/zinc/20/35/16/565203516.db2.gz CMCUWTKDVWXHEJ-UHFFFAOYSA-N -1 3 377.853 3.374 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C[C@@H]1C ZINC000294246100 565204580 /nfs/dbraw/zinc/20/45/80/565204580.db2.gz CODIKPIKFYFUAK-QLFBSQMISA-N -1 3 384.567 3.090 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)Oc1ccc(Cl)cc1 ZINC000185860712 565224743 /nfs/dbraw/zinc/22/47/43/565224743.db2.gz ACORWSSKVFTVOE-LBPRGKRZSA-N -1 3 380.853 3.368 20 0 GGADHM CC(C)(C)c1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1O ZINC000185860226 565225406 /nfs/dbraw/zinc/22/54/06/565225406.db2.gz RKLXHMZGOOQMBB-UHFFFAOYSA-N -1 3 382.507 3.058 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](C2CCOCC2)C1 ZINC000372211438 565227379 /nfs/dbraw/zinc/22/73/79/565227379.db2.gz LQDAOPDUDATOQG-AWEZNQCLSA-N -1 3 383.286 3.113 20 0 GGADHM COc1ccc(CNC2(C(=O)N(C)C)CCCCC2)c(Br)c1[O-] ZINC000294925963 565235585 /nfs/dbraw/zinc/23/55/85/565235585.db2.gz FXSYHIMODKKRQA-UHFFFAOYSA-N -1 3 385.302 3.044 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccs1 ZINC000186051713 565236861 /nfs/dbraw/zinc/23/68/61/565236861.db2.gz AQGCGYNBFRAVGU-NSHDSACASA-N -1 3 376.425 3.324 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCC1 ZINC000186098377 565239864 /nfs/dbraw/zinc/23/98/64/565239864.db2.gz VBTFBPJRVDXQEN-UHFFFAOYSA-N -1 3 383.466 3.118 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000295058327 565242938 /nfs/dbraw/zinc/24/29/38/565242938.db2.gz BOZUYBOCCXZQKY-NILFDRSVSA-N -1 3 381.391 3.150 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cc(Br)ccc1F ZINC000186157564 565243568 /nfs/dbraw/zinc/24/35/68/565243568.db2.gz DKLJLUQKBBLCFV-LBPRGKRZSA-N -1 3 380.279 3.216 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(Br)ccc(F)c3C2)on1 ZINC000186196222 565245929 /nfs/dbraw/zinc/24/59/29/565245929.db2.gz GREDEGKASMLORN-JTQLQIEISA-N -1 3 382.233 3.270 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000295156834 565247799 /nfs/dbraw/zinc/24/77/99/565247799.db2.gz CQLHIJUDZUYONG-GFCCVEGCSA-N -1 3 380.413 3.180 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000295156837 565248367 /nfs/dbraw/zinc/24/83/67/565248367.db2.gz CQLHIJUDZUYONG-LBPRGKRZSA-N -1 3 380.413 3.180 20 0 GGADHM Cc1oc2ccccc2c1CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000186232979 565248493 /nfs/dbraw/zinc/24/84/93/565248493.db2.gz XYJNUZIIZNUUSC-UHFFFAOYSA-N -1 3 398.893 3.051 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000372699492 565250376 /nfs/dbraw/zinc/25/03/76/565250376.db2.gz DFMXQPBTBZXSTQ-UHFFFAOYSA-N -1 3 375.841 3.304 20 0 GGADHM CC(C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186317409 565254763 /nfs/dbraw/zinc/25/47/63/565254763.db2.gz TYNZCSNZNVVPNH-CQSZACIVSA-N -1 3 375.918 3.470 20 0 GGADHM C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)c2c([O-])cccc21 ZINC000186392445 565259116 /nfs/dbraw/zinc/25/91/16/565259116.db2.gz OVZILJILIAIWOC-SNVBAGLBSA-N -1 3 393.237 3.018 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000186466207 565262303 /nfs/dbraw/zinc/26/23/03/565262303.db2.gz KXZNPKQWRDKGEN-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ncc(C)cc1Br)c1ccccc1 ZINC000295377852 565262427 /nfs/dbraw/zinc/26/24/27/565262427.db2.gz SZYSMEGMODKEBM-AWEZNQCLSA-N -1 3 385.283 3.282 20 0 GGADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1nncn1C ZINC000295396062 565263408 /nfs/dbraw/zinc/26/34/08/565263408.db2.gz VCXBWIPOMMRBOP-LBPRGKRZSA-N -1 3 387.228 3.183 20 0 GGADHM O=S(=O)([N-]Cc1n[nH]c(C2CC2)n1)c1c(Cl)cc(Cl)cc1Cl ZINC000295394213 565263744 /nfs/dbraw/zinc/26/37/44/565263744.db2.gz UYISLTZANKCMTN-UHFFFAOYSA-N -1 3 381.672 3.121 20 0 GGADHM Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2ccc(F)cc2)cn1 ZINC000186498862 565263850 /nfs/dbraw/zinc/26/38/50/565263850.db2.gz CTSCFYDKWGNKQF-OAHLLOKOSA-N -1 3 385.873 3.342 20 0 GGADHM Cc1cc(Br)c(F)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000186510018 565264040 /nfs/dbraw/zinc/26/40/40/565264040.db2.gz QEDQDILEBGZNMV-UHFFFAOYSA-N -1 3 379.189 3.136 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2CC1 ZINC000372997047 565264661 /nfs/dbraw/zinc/26/46/61/565264661.db2.gz DIACPTURHXWHGQ-UHFFFAOYSA-N -1 3 378.881 3.088 20 0 GGADHM COc1cc(Br)c(C(=O)[N-]c2nc(SC)ns2)cc1OC ZINC000295424683 565265609 /nfs/dbraw/zinc/26/56/09/565265609.db2.gz ODTMKAFAQNUURE-UHFFFAOYSA-N -1 3 390.284 3.292 20 0 GGADHM CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000271748739 565266844 /nfs/dbraw/zinc/26/68/44/565266844.db2.gz RVORMISMKKSQTC-UHFFFAOYSA-N -1 3 383.495 3.105 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3ncc(Cl)cc3Cl)CC2)[n-]1 ZINC000373114810 565270707 /nfs/dbraw/zinc/27/07/07/565270707.db2.gz DQPDRWYBOQKKNG-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3ncc(Cl)cc3Cl)CC2)n[n-]1 ZINC000373114810 565270712 /nfs/dbraw/zinc/27/07/12/565270712.db2.gz DQPDRWYBOQKKNG-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1n[n-]c(C2CCN(Cc3ncc(Cl)cc3Cl)CC2)n1 ZINC000373114810 565270715 /nfs/dbraw/zinc/27/07/15/565270715.db2.gz DQPDRWYBOQKKNG-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM O=S(=O)([N-]Cc1ncc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)s1 ZINC000295532830 565271507 /nfs/dbraw/zinc/27/15/07/565271507.db2.gz QMSXNKOSOQBXMO-UHFFFAOYSA-N -1 3 391.318 3.054 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2ncc(C(F)(F)F)cn2)s1 ZINC000295569746 565273694 /nfs/dbraw/zinc/27/36/94/565273694.db2.gz UQCAYNUSYFYXIZ-UHFFFAOYSA-N -1 3 379.429 3.333 20 0 GGADHM COc1cccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1[O-] ZINC000186663577 565276205 /nfs/dbraw/zinc/27/62/05/565276205.db2.gz XFGGYYXIPQWEJU-ZBFHGGJFSA-N -1 3 382.243 3.438 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000295621242 565276905 /nfs/dbraw/zinc/27/69/05/565276905.db2.gz DYMSYHOFSFUTBD-HNNXBMFYSA-N -1 3 379.532 3.160 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1[C@H](C)O ZINC000272104218 565277247 /nfs/dbraw/zinc/27/72/47/565277247.db2.gz MDVBVKBSJPQSSZ-JTQLQIEISA-N -1 3 375.277 3.229 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000186733882 565281683 /nfs/dbraw/zinc/28/16/83/565281683.db2.gz RJZCLZQCISYZAJ-ZETCQYMHSA-N -1 3 381.342 3.358 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000186734371 565281853 /nfs/dbraw/zinc/28/18/53/565281853.db2.gz RZLGKXBVLZAKHC-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM Clc1ccc(-n2cc(C[N-]c3nnc([C@@H]4CCCO4)o3)nn2)c(Cl)c1 ZINC000272301587 565283844 /nfs/dbraw/zinc/28/38/44/565283844.db2.gz WTBBITQXVXFNPD-ZDUSSCGKSA-N -1 3 381.223 3.421 20 0 GGADHM C[C@@H](CN1CCCCCC1)[N-]S(=O)(=O)c1sccc1Br ZINC000186777968 565285321 /nfs/dbraw/zinc/28/53/21/565285321.db2.gz HEBPJMCVKNAOLK-NSHDSACASA-N -1 3 381.361 3.053 20 0 GGADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000161746298 565292600 /nfs/dbraw/zinc/29/26/00/565292600.db2.gz FLORMZHSWPYBHM-AWEZNQCLSA-N -1 3 398.575 3.233 20 0 GGADHM COC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000161733246 565292925 /nfs/dbraw/zinc/29/29/25/565292925.db2.gz WEAPWGFFWCVGIE-UHFFFAOYSA-N -1 3 379.210 3.263 20 0 GGADHM Cc1cncc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000161867785 565295663 /nfs/dbraw/zinc/29/56/63/565295663.db2.gz VZPWULRTFAXFOC-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM Cc1ocnc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000161894831 565296430 /nfs/dbraw/zinc/29/64/30/565296430.db2.gz PGBCQOXTZJXPHG-UHFFFAOYSA-N -1 3 388.289 3.499 20 0 GGADHM Cc1ocnc1C[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000161892778 565296555 /nfs/dbraw/zinc/29/65/55/565296555.db2.gz IOFFVNHPQNZIGB-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM Cc1sc(=O)n(CCC(=O)Nc2c([O-])ccc(Br)c2C)c1C ZINC000296086774 565301014 /nfs/dbraw/zinc/30/10/14/565301014.db2.gz OWHFDJQIRTXELA-UHFFFAOYSA-N -1 3 385.283 3.332 20 0 GGADHM CSCc1noc(CCC(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC000296092962 565302022 /nfs/dbraw/zinc/30/20/22/565302022.db2.gz PFDJEFHNSOTNJH-UHFFFAOYSA-N -1 3 386.271 3.280 20 0 GGADHM COCc1nc(C[N-]C(=O)C(F)(F)c2ccccc2Br)cs1 ZINC000296109864 565302464 /nfs/dbraw/zinc/30/24/64/565302464.db2.gz QKBBHXLJVHFVHJ-UHFFFAOYSA-N -1 3 391.237 3.460 20 0 GGADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)c1ccccc1 ZINC000296128069 565303396 /nfs/dbraw/zinc/30/33/96/565303396.db2.gz FWXDOKFMVJRNQZ-CQSZACIVSA-N -1 3 375.437 3.034 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C)c1ccccc1 ZINC000296128431 565303618 /nfs/dbraw/zinc/30/36/18/565303618.db2.gz YXIUNWIRGNOJDF-KOSHJBKYSA-N -1 3 381.519 3.003 20 0 GGADHM CCCC(=O)N1CCC[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000296148481 565304541 /nfs/dbraw/zinc/30/45/41/565304541.db2.gz RZSWDJWUPOZPKX-LBPRGKRZSA-N -1 3 383.286 3.440 20 0 GGADHM CC(=O)Nc1cccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000162133918 565306917 /nfs/dbraw/zinc/30/69/17/565306917.db2.gz ZEZRMAVUERKSBH-UHFFFAOYSA-N -1 3 392.253 3.113 20 0 GGADHM COCc1nsc([N-]C(=O)c2sc(Cc3ccc(F)cc3)nc2C)n1 ZINC000273148572 565309313 /nfs/dbraw/zinc/30/93/13/565309313.db2.gz XDCXMUOQWOMQNF-UHFFFAOYSA-N -1 3 378.454 3.432 20 0 GGADHM O=C(CCCOc1ccc(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000273170362 565310504 /nfs/dbraw/zinc/31/05/04/565310504.db2.gz CPHLJBUYRIMDAH-UHFFFAOYSA-N -1 3 382.247 3.233 20 0 GGADHM O=C(N1CCc2c(=O)[n-]cnc2C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000273194566 565311488 /nfs/dbraw/zinc/31/14/88/565311488.db2.gz HGNQMZLWUFYSDV-UHFFFAOYSA-N -1 3 378.259 3.496 20 0 GGADHM O=C(Nc1ccc(I)cc1Cl)c1cccc2nn[n-]c21 ZINC000187127043 565311567 /nfs/dbraw/zinc/31/15/67/565311567.db2.gz CYWHWHPZKIBZIA-UHFFFAOYSA-N -1 3 398.591 3.468 20 0 GGADHM O=C(Nc1ccc(I)cc1Cl)c1cccc2[n-]nnc21 ZINC000187127043 565311571 /nfs/dbraw/zinc/31/15/71/565311571.db2.gz CYWHWHPZKIBZIA-UHFFFAOYSA-N -1 3 398.591 3.468 20 0 GGADHM O=C(Nc1ccc(I)cc1Cl)c1cccc2n[n-]nc21 ZINC000187127043 565311575 /nfs/dbraw/zinc/31/15/75/565311575.db2.gz CYWHWHPZKIBZIA-UHFFFAOYSA-N -1 3 398.591 3.468 20 0 GGADHM C[C@@H](NCCCNC(=O)c1cccc([O-])c1)c1ncc(Br)cc1F ZINC000187136268 565312258 /nfs/dbraw/zinc/31/22/58/565312258.db2.gz KXPKMQDWKLOFQD-LLVKDONJSA-N -1 3 396.260 3.160 20 0 GGADHM O=C([N-]c1cnns1)C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC000296336480 565313353 /nfs/dbraw/zinc/31/33/53/565313353.db2.gz VSGFBSDSPFITJY-UHFFFAOYSA-N -1 3 378.885 3.148 20 0 GGADHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187165178 565313443 /nfs/dbraw/zinc/31/34/43/565313443.db2.gz YZKWZFSXTKDIEK-CHWSQXEVSA-N -1 3 375.918 3.204 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000187174540 565314723 /nfs/dbraw/zinc/31/47/23/565314723.db2.gz IHSIPLULESHGGA-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1Cl ZINC000162366708 565315260 /nfs/dbraw/zinc/31/52/60/565315260.db2.gz LSBHKWFEPGZFMO-UHFFFAOYSA-N -1 3 389.260 3.252 20 0 GGADHM Cc1cc(C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)oc1C ZINC000162362904 565315375 /nfs/dbraw/zinc/31/53/75/565315375.db2.gz FZCWEJDYNSDBIR-UHFFFAOYSA-N -1 3 386.832 3.382 20 0 GGADHM O=C(CCCOc1cccc(Cl)c1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000273297422 565316515 /nfs/dbraw/zinc/31/65/15/565316515.db2.gz VSRGXRRSXQVXSJ-UHFFFAOYSA-N -1 3 382.247 3.233 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@]2(C)CCCO)cc(Br)c1[O-] ZINC000273309541 565316729 /nfs/dbraw/zinc/31/67/29/565316729.db2.gz HMMMDBRZRWSNJI-DUMMIQTOSA-N -1 3 398.297 3.330 20 0 GGADHM O=S(=O)([N-]Cc1nccn1C(F)F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187212795 565316959 /nfs/dbraw/zinc/31/69/59/565316959.db2.gz CQRROUMDWJNUTC-UHFFFAOYSA-N -1 3 389.733 3.429 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCO[C@@H](C4CC4)C3)s2)cs1 ZINC000162559111 565320870 /nfs/dbraw/zinc/32/08/70/565320870.db2.gz IRANNBCDRKVKSH-TZMCWYRMSA-N -1 3 384.548 3.416 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1nccs1 ZINC000162576435 565321418 /nfs/dbraw/zinc/32/14/18/565321418.db2.gz WKIDGFZBWHPZKK-UHFFFAOYSA-N -1 3 397.266 3.397 20 0 GGADHM O=C([N-]OCCC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000162615647 565322551 /nfs/dbraw/zinc/32/25/51/565322551.db2.gz FTHZJIOTPAFRFS-GFCCVEGCSA-N -1 3 378.778 3.192 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Br)ccc1Cl ZINC000162640408 565323192 /nfs/dbraw/zinc/32/31/92/565323192.db2.gz CAFYDBQXBBINPK-DGCLKSJQSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1cccc(O)c1 ZINC000162657124 565323441 /nfs/dbraw/zinc/32/34/41/565323441.db2.gz XWELBEYSZKCHRF-QMMMGPOBSA-N -1 3 392.221 3.472 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)c1nccs1 ZINC000296631961 565326425 /nfs/dbraw/zinc/32/64/25/565326425.db2.gz HTFRKEYJPFEXAP-UHFFFAOYSA-N -1 3 396.719 3.168 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000162763047 565326688 /nfs/dbraw/zinc/32/66/88/565326688.db2.gz IQHNFPYUQICERC-IINYFYTJSA-N -1 3 394.718 3.338 20 0 GGADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccn1 ZINC000296616779 565326871 /nfs/dbraw/zinc/32/68/71/565326871.db2.gz IQJWIFYRRIJZRI-UHFFFAOYSA-N -1 3 378.270 3.327 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)cc1Cl ZINC000162801485 565327953 /nfs/dbraw/zinc/32/79/53/565327953.db2.gz GTKKBTZOJAVFNV-YPMHNXCESA-N -1 3 394.718 3.338 20 0 GGADHM CC(C)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000187410677 565330020 /nfs/dbraw/zinc/33/00/20/565330020.db2.gz RTGNIUUXSNNMNP-AWEZNQCLSA-N -1 3 387.929 3.470 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000162841980 565330172 /nfs/dbraw/zinc/33/01/72/565330172.db2.gz BEEZWCYVEOSORH-RKDXNWHRSA-N -1 3 382.707 3.337 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)cc(Br)c1)c1ccc(C)o1 ZINC000187402267 565330203 /nfs/dbraw/zinc/33/02/03/565330203.db2.gz MOWNCOGKDNWCDG-AWEZNQCLSA-N -1 3 388.283 3.325 20 0 GGADHM CC[C@@H](CN(CC)C(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000187413172 565331112 /nfs/dbraw/zinc/33/11/12/565331112.db2.gz PMDCBARUOAECLF-HNNXBMFYSA-N -1 3 380.535 3.069 20 0 GGADHM COc1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(Br)c1[O-] ZINC000273688348 565331140 /nfs/dbraw/zinc/33/11/40/565331140.db2.gz AXAUKNXTFHMYMA-NOZJJQNGSA-N -1 3 384.192 3.051 20 0 GGADHM COc1cc(CN[C@@H]2CN(C)Cc3ccccc32)cc(Br)c1[O-] ZINC000374330804 565332149 /nfs/dbraw/zinc/33/21/49/565332149.db2.gz JCAJRIRBIOOUFH-MRXNPFEDSA-N -1 3 377.282 3.440 20 0 GGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000187469805 565335022 /nfs/dbraw/zinc/33/50/22/565335022.db2.gz DFEXAOIWDQFGKS-SMDDNHRTSA-N -1 3 393.336 3.309 20 0 GGADHM CNC(=O)c1ccc(CN(C)Cc2ccc(OC)c([O-])c2Br)cc1 ZINC000273804078 565337716 /nfs/dbraw/zinc/33/77/16/565337716.db2.gz XQERPDIDIKNCED-UHFFFAOYSA-N -1 3 393.281 3.155 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(F)cc1Br ZINC000374452775 565339900 /nfs/dbraw/zinc/33/99/00/565339900.db2.gz MVLALTMXHTZUDM-AWEZNQCLSA-N -1 3 392.290 3.216 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[n-]1 ZINC000187584983 565343106 /nfs/dbraw/zinc/34/31/06/565343106.db2.gz JNSSJFOOWUAHIH-MRVPVSSYSA-N -1 3 388.276 3.473 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000187596474 565344173 /nfs/dbraw/zinc/34/41/73/565344173.db2.gz IZJHTHXMPLJANV-MRVPVSSYSA-N -1 3 388.276 3.473 20 0 GGADHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)[n-]1 ZINC000187590326 565344233 /nfs/dbraw/zinc/34/42/33/565344233.db2.gz KYZHCHRPKZHXPW-UHFFFAOYSA-N -1 3 375.372 3.152 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)n1C1CC1 ZINC000163331392 565344219 /nfs/dbraw/zinc/34/42/19/565344219.db2.gz USVNPLGVUZBAPU-UHFFFAOYSA-N -1 3 382.898 3.268 20 0 GGADHM CC(C)OCCCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000273911021 565344489 /nfs/dbraw/zinc/34/44/89/565344489.db2.gz OXGJSBQOLQZGQO-GFCCVEGCSA-N -1 3 387.889 3.120 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@H]3CCOC4(CCCC4)C3)cc21 ZINC000374585420 565346137 /nfs/dbraw/zinc/34/61/37/565346137.db2.gz MZLQPKSHRFBOCQ-ZDUSSCGKSA-N -1 3 383.897 3.239 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1Cl ZINC000163497589 565347135 /nfs/dbraw/zinc/34/71/35/565347135.db2.gz XOWPHIZNCIVMLM-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM CN(Cc1cc(Br)cn1C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000163495539 565347421 /nfs/dbraw/zinc/34/74/21/565347421.db2.gz ITFMOTAUIHRIGN-UHFFFAOYSA-N -1 3 393.281 3.479 20 0 GGADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000297024338 565351890 /nfs/dbraw/zinc/35/18/90/565351890.db2.gz HBEXZQUEFKHGHT-UHFFFAOYSA-N -1 3 388.638 3.106 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCCC(C)(F)F)ccc1F ZINC000297047689 565352566 /nfs/dbraw/zinc/35/25/66/565352566.db2.gz XKHJHADIZWFKRJ-UHFFFAOYSA-N -1 3 381.420 3.069 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000164014390 565354656 /nfs/dbraw/zinc/35/46/56/565354656.db2.gz HRPGDSISVKLJOY-NEPJUHHUSA-N -1 3 380.539 3.190 20 0 GGADHM CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000164014262 565355309 /nfs/dbraw/zinc/35/53/09/565355309.db2.gz HRPGDSISVKLJOY-VXGBXAGGSA-N -1 3 380.539 3.190 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)cc1OC ZINC000187832787 565357844 /nfs/dbraw/zinc/35/78/44/565357844.db2.gz HHHWNQOIEHKZOR-UHFFFAOYSA-N -1 3 377.796 3.114 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187853696 565359300 /nfs/dbraw/zinc/35/93/00/565359300.db2.gz HUOQZNXQLHZNOA-ZDUSSCGKSA-N -1 3 376.906 3.144 20 0 GGADHM COc1cc(Br)c(NC([O-])=NO[C@H]2CCCCO2)cc1OC ZINC000274161520 565359848 /nfs/dbraw/zinc/35/98/48/565359848.db2.gz HKNPTFXXDVIWRJ-ZDUSSCGKSA-N -1 3 375.219 3.046 20 0 GGADHM COc1cc(Br)c(NC(=O)[N-]O[C@H]2CCCCO2)cc1OC ZINC000274161520 565359850 /nfs/dbraw/zinc/35/98/50/565359850.db2.gz HKNPTFXXDVIWRJ-ZDUSSCGKSA-N -1 3 375.219 3.046 20 0 GGADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000164502271 565359966 /nfs/dbraw/zinc/35/99/66/565359966.db2.gz QCBFSZRSQLFINS-NEPJUHHUSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000164502523 565360010 /nfs/dbraw/zinc/36/00/10/565360010.db2.gz QCBFSZRSQLFINS-VXGBXAGGSA-N -1 3 378.416 3.292 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(C)o1 ZINC000164613154 565361330 /nfs/dbraw/zinc/36/13/30/565361330.db2.gz BLESOWMNZUYIFZ-UHFFFAOYSA-N -1 3 392.202 3.077 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1Cl ZINC000164655050 565361392 /nfs/dbraw/zinc/36/13/92/565361392.db2.gz CNHAYXSFSSJSQD-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]CCOc1ncc(Cl)cc1Cl ZINC000164592290 565361598 /nfs/dbraw/zinc/36/15/98/565361598.db2.gz CYOXQEVPFNRXRN-UHFFFAOYSA-N -1 3 397.230 3.165 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C3CC3)c2)s1 ZINC000297212728 565362385 /nfs/dbraw/zinc/36/23/85/565362385.db2.gz VLZMEDYLAMNLHW-GFCCVEGCSA-N -1 3 378.519 3.301 20 0 GGADHM Cc1c2nc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)sc2ccc1F ZINC000164885820 565363799 /nfs/dbraw/zinc/36/37/99/565363799.db2.gz GNLIMAMSZZJWEO-UHFFFAOYSA-N -1 3 399.494 3.308 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2csc([C@H]3CCCO3)n2)c1 ZINC000164829246 565363994 /nfs/dbraw/zinc/36/39/94/565363994.db2.gz RRBVCDFVEHHLOX-CYBMUJFWSA-N -1 3 386.882 3.304 20 0 GGADHM CCOc1cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc(Cl)c1[O-] ZINC000297334837 565368789 /nfs/dbraw/zinc/36/87/89/565368789.db2.gz DCVRBQOKSPYXLQ-MRXNPFEDSA-N -1 3 383.897 3.320 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nnc(C(F)F)s1 ZINC000165378515 565369324 /nfs/dbraw/zinc/36/93/24/565369324.db2.gz MHLMNVQIWQKVAT-UHFFFAOYSA-N -1 3 379.186 3.266 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cnc4n3CCCC4)s2)cs1 ZINC000375112469 565369306 /nfs/dbraw/zinc/36/93/06/565369306.db2.gz LHQGIUJPJDWRFK-UHFFFAOYSA-N -1 3 394.547 3.191 20 0 GGADHM Cn1ccc([C@H]([N-]S(=O)(=O)CCC(F)(F)F)c2ccc(Cl)cc2)n1 ZINC000375131986 565370458 /nfs/dbraw/zinc/37/04/58/565370458.db2.gz OROIPLVCHGDNDB-CYBMUJFWSA-N -1 3 381.807 3.035 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)ccc1F ZINC000375128238 565370686 /nfs/dbraw/zinc/37/06/86/565370686.db2.gz DHTDODKGRIZNPS-UHFFFAOYSA-N -1 3 383.451 3.062 20 0 GGADHM Cn1ccc([C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c2ccc(Cl)cc2)n1 ZINC000375131987 565370736 /nfs/dbraw/zinc/37/07/36/565370736.db2.gz OROIPLVCHGDNDB-ZDUSSCGKSA-N -1 3 381.807 3.035 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)cn1C ZINC000165976923 565372065 /nfs/dbraw/zinc/37/20/65/565372065.db2.gz SCFOMIIJKOADAJ-QWRGUYRKSA-N -1 3 375.416 3.218 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)cn1C ZINC000165977067 565372338 /nfs/dbraw/zinc/37/23/38/565372338.db2.gz SCFOMIIJKOADAJ-WDEREUQCSA-N -1 3 375.416 3.218 20 0 GGADHM COc1ccc(CN2CCSC3(CCOCC3)C2)c(Br)c1[O-] ZINC000274522612 565373947 /nfs/dbraw/zinc/37/39/47/565373947.db2.gz YWWVNLCNGLNRNP-UHFFFAOYSA-N -1 3 388.327 3.261 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)N(C)C)c2)sc1Cl ZINC000188051132 565374201 /nfs/dbraw/zinc/37/42/01/565374201.db2.gz UZCHMBZULRCJBG-UHFFFAOYSA-N -1 3 387.914 3.282 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1cc(Cl)ccc1I ZINC000297474221 565374904 /nfs/dbraw/zinc/37/49/04/565374904.db2.gz RROPWDMVZMEWAW-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(Cl)ccc1I ZINC000297474221 565374911 /nfs/dbraw/zinc/37/49/11/565374911.db2.gz RROPWDMVZMEWAW-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM COc1cccc(OC)c1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000274639512 565375548 /nfs/dbraw/zinc/37/55/48/565375548.db2.gz QDCHPXDWSBYOQZ-UHFFFAOYSA-N -1 3 375.368 3.201 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)c(C)o1 ZINC000166986917 565376539 /nfs/dbraw/zinc/37/65/39/565376539.db2.gz BYRNPVLUDWELQO-SECBINFHSA-N -1 3 386.495 3.168 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(C)c(C)cc2Cl)s1 ZINC000297556286 565376810 /nfs/dbraw/zinc/37/68/10/565376810.db2.gz YSJFLYNOMITDRR-UHFFFAOYSA-N -1 3 387.914 3.248 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1COc2ccccc21 ZINC000167547482 565377911 /nfs/dbraw/zinc/37/79/11/565377911.db2.gz TYIXGOPAIYBRIM-ONGXEEELSA-N -1 3 388.308 3.354 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(N(C)C)n3)s2)cs1 ZINC000167892486 565380926 /nfs/dbraw/zinc/38/09/26/565380926.db2.gz BTCZERVQRBWPIS-UHFFFAOYSA-N -1 3 394.547 3.120 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(c2cc(Br)ccn2)CC1 ZINC000274786716 565381164 /nfs/dbraw/zinc/38/11/64/565381164.db2.gz WYOOEPOCTIHXDU-UHFFFAOYSA-N -1 3 376.254 3.405 20 0 GGADHM O=C([N-]c1cc(F)cc(F)c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000170620596 565383652 /nfs/dbraw/zinc/38/36/52/565383652.db2.gz CHIZRINSJRRCIH-UHFFFAOYSA-N -1 3 386.445 3.453 20 0 GGADHM CCOc1cc(CN2CCS(=O)(=O)c3ccccc3C2)cc(Cl)c1[O-] ZINC000297720942 565384319 /nfs/dbraw/zinc/38/43/19/565384319.db2.gz RVTOJWRSHZLGFF-UHFFFAOYSA-N -1 3 381.881 3.234 20 0 GGADHM CCCCOc1ccc(C(=O)Nc2cn(C)cc(Br)c2=O)c([O-])c1 ZINC000188167649 565384875 /nfs/dbraw/zinc/38/48/75/565384875.db2.gz DUKYSEDBZBDBAJ-UHFFFAOYSA-N -1 3 395.253 3.285 20 0 GGADHM CCOc1cc(CNCc2ccccc2CS(C)(=O)=O)cc(Cl)c1[O-] ZINC000297768750 565385921 /nfs/dbraw/zinc/38/59/21/565385921.db2.gz VKYBXVRMDXDLES-UHFFFAOYSA-N -1 3 383.897 3.279 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)sc1Cl ZINC000188234482 565389635 /nfs/dbraw/zinc/38/96/35/565389635.db2.gz XCRAURGDHKFPTA-BXKDBHETSA-N -1 3 391.864 3.472 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)cc1 ZINC000188240953 565389643 /nfs/dbraw/zinc/38/96/43/565389643.db2.gz TUVWODIBNUYTPD-UHFFFAOYSA-N -1 3 399.266 3.217 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Br)cn3)c2)n1 ZINC000170758608 565390376 /nfs/dbraw/zinc/39/03/76/565390376.db2.gz WDXCWFITVXPSGE-UHFFFAOYSA-N -1 3 399.248 3.409 20 0 GGADHM CCOc1cc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000297968054 565393903 /nfs/dbraw/zinc/39/39/03/565393903.db2.gz XAYPOHSXSBWPOJ-GDBMZVCRSA-N -1 3 375.918 3.232 20 0 GGADHM CCOc1cc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000297968068 565393956 /nfs/dbraw/zinc/39/39/56/565393956.db2.gz XAYPOHSXSBWPOJ-HOCLYGCPSA-N -1 3 375.918 3.232 20 0 GGADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1Cl ZINC000188327292 565396037 /nfs/dbraw/zinc/39/60/37/565396037.db2.gz FZICCVMHYGNYSI-UHFFFAOYSA-N -1 3 388.814 3.032 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1F ZINC000170873950 565396915 /nfs/dbraw/zinc/39/69/15/565396915.db2.gz ZCCKHGGOOHKNTE-UHFFFAOYSA-N -1 3 394.287 3.179 20 0 GGADHM CCOCCOCCN(C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000298039135 565397421 /nfs/dbraw/zinc/39/74/21/565397421.db2.gz HCUILZYPMHXBDB-UHFFFAOYSA-N -1 3 376.291 3.038 20 0 GGADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000275211729 565398286 /nfs/dbraw/zinc/39/82/86/565398286.db2.gz BAZWXDGYUFKSSG-KBPBESRZSA-N -1 3 390.292 3.018 20 0 GGADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000275283667 565400013 /nfs/dbraw/zinc/40/00/13/565400013.db2.gz KVHCJNWVNJBVQU-FZMZJTMJSA-N -1 3 390.292 3.018 20 0 GGADHM COC(=O)CCSCc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275264923 565400764 /nfs/dbraw/zinc/40/07/64/565400764.db2.gz STBUECFXZVJNSB-UHFFFAOYSA-N -1 3 380.388 3.488 20 0 GGADHM COC(=O)CCSCc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275264923 565400769 /nfs/dbraw/zinc/40/07/69/565400769.db2.gz STBUECFXZVJNSB-UHFFFAOYSA-N -1 3 380.388 3.488 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCc2nccn2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000275366077 565405556 /nfs/dbraw/zinc/40/55/56/565405556.db2.gz WMJHXFOQZBQQCD-SNVBAGLBSA-N -1 3 393.818 3.096 20 0 GGADHM CCc1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1 ZINC000188514190 565405885 /nfs/dbraw/zinc/40/58/85/565405885.db2.gz PJJWRLUPKQHBDB-OAHLLOKOSA-N -1 3 379.865 3.209 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@H]2CCCCC(F)(F)C2)ccc1F ZINC000298257240 565405974 /nfs/dbraw/zinc/40/59/74/565405974.db2.gz LTHWGLILEPKMMR-NSHDSACASA-N -1 3 378.416 3.143 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000188547539 565407585 /nfs/dbraw/zinc/40/75/85/565407585.db2.gz GYLQBGZHBZRZMP-ZANVPECISA-N -1 3 389.798 3.241 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F ZINC000188560766 565409091 /nfs/dbraw/zinc/40/90/91/565409091.db2.gz USIUYMNJQPQQQH-ZANVPECISA-N -1 3 389.798 3.241 20 0 GGADHM O=C(Nc1cc(Br)c[nH]c1=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188616174 565413197 /nfs/dbraw/zinc/41/31/97/565413197.db2.gz PSPZRCZIZNOSRL-UHFFFAOYSA-N -1 3 399.657 3.495 20 0 GGADHM O=C(Nc1cc(Br)c[nH]c1=O)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000188616174 565413200 /nfs/dbraw/zinc/41/32/00/565413200.db2.gz PSPZRCZIZNOSRL-UHFFFAOYSA-N -1 3 399.657 3.495 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1cccc(OC(F)F)c1 ZINC000298500565 565416352 /nfs/dbraw/zinc/41/63/52/565416352.db2.gz QRTVCWZKUYARES-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000376065107 565420182 /nfs/dbraw/zinc/42/01/82/565420182.db2.gz FZZLOTSKVOWHCT-LBPRGKRZSA-N -1 3 396.262 3.054 20 0 GGADHM CC(C)N1CCc2nc([N-]C(=O)c3nc(Br)cs3)sc2C1 ZINC000275649013 565422185 /nfs/dbraw/zinc/42/21/85/565422185.db2.gz NEVNJOPGIWCEJP-UHFFFAOYSA-N -1 3 387.328 3.381 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)s1 ZINC000275667569 565422526 /nfs/dbraw/zinc/42/25/26/565422526.db2.gz WSRMWTGHWSYHKL-UHFFFAOYSA-N -1 3 383.442 3.066 20 0 GGADHM COc1cc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc(Br)c1[O-] ZINC000298636643 565424105 /nfs/dbraw/zinc/42/41/05/565424105.db2.gz DCBFAUURKAJJEF-AATRIKPKSA-N -1 3 380.242 3.166 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CCN(C)C)c1 ZINC000275713239 565424496 /nfs/dbraw/zinc/42/44/96/565424496.db2.gz LCKPCLOAOYMZKA-UHFFFAOYSA-N -1 3 380.897 3.448 20 0 GGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1NS(C)(=O)=O ZINC000188806181 565425682 /nfs/dbraw/zinc/42/56/82/565425682.db2.gz YKJNXDPWJDWWRG-UHFFFAOYSA-N -1 3 376.463 3.070 20 0 GGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1NS(C)(=O)=O ZINC000188806181 565425685 /nfs/dbraw/zinc/42/56/85/565425685.db2.gz YKJNXDPWJDWWRG-UHFFFAOYSA-N -1 3 376.463 3.070 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000275795768 565427886 /nfs/dbraw/zinc/42/78/86/565427886.db2.gz OUKPSBMLTNKOMC-BXUZGUMPSA-N -1 3 399.431 3.178 20 0 GGADHM C[C@@H](C[S@](C)=O)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000298787569 565428572 /nfs/dbraw/zinc/42/85/72/565428572.db2.gz DIFPFBXRWOKOEX-VDBVYFBLSA-N -1 3 375.519 3.263 20 0 GGADHM C[C@@H](C[S@@](C)=O)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000298787554 565428955 /nfs/dbraw/zinc/42/89/55/565428955.db2.gz DIFPFBXRWOKOEX-UOXLDJKESA-N -1 3 375.519 3.263 20 0 GGADHM C[C@H](C[S@](C)=O)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000298787598 565428997 /nfs/dbraw/zinc/42/89/97/565428997.db2.gz DIFPFBXRWOKOEX-YDBLSZJJSA-N -1 3 375.519 3.263 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccn1 ZINC000171414617 565430165 /nfs/dbraw/zinc/43/01/65/565430165.db2.gz ITZZQPXMARFXJT-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1OCCC1CC1 ZINC000188901870 565430955 /nfs/dbraw/zinc/43/09/55/565430955.db2.gz VMHUTCMTVCTPMD-ZBFHGGJFSA-N -1 3 387.929 3.348 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1OCCC1CC1 ZINC000188901908 565431104 /nfs/dbraw/zinc/43/11/04/565431104.db2.gz VMHUTCMTVCTPMD-HOCLYGCPSA-N -1 3 387.929 3.348 20 0 GGADHM CC(C)c1nnc(CCC(=O)[N-]OCc2ccc(F)cc2Br)o1 ZINC000188928850 565433025 /nfs/dbraw/zinc/43/30/25/565433025.db2.gz SLBGDVXBMGWWKW-UHFFFAOYSA-N -1 3 386.221 3.275 20 0 GGADHM CC[C@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N(C)C ZINC000298898140 565433293 /nfs/dbraw/zinc/43/32/93/565433293.db2.gz KNJTXJLNZSWWKT-SNVBAGLBSA-N -1 3 380.080 3.196 20 0 GGADHM O=S(=O)(Cc1ccc(Br)c(Cl)c1)c1nc(C2CC2)n[n-]1 ZINC000188930128 565433364 /nfs/dbraw/zinc/43/33/64/565433364.db2.gz RMEICPLXFFGXGA-UHFFFAOYSA-N -1 3 376.663 3.072 20 0 GGADHM O=S(=O)(Cc1ccc(Br)c(Cl)c1)c1nnc(C2CC2)[n-]1 ZINC000188930128 565433366 /nfs/dbraw/zinc/43/33/66/565433366.db2.gz RMEICPLXFFGXGA-UHFFFAOYSA-N -1 3 376.663 3.072 20 0 GGADHM CCCN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000171558271 565437665 /nfs/dbraw/zinc/43/76/65/565437665.db2.gz IDWWDRDVVZSALT-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)cc1Cl ZINC000171629578 565440884 /nfs/dbraw/zinc/44/08/84/565440884.db2.gz WXQYBLPNUGCRII-UHFFFAOYSA-N -1 3 392.786 3.194 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189080257 565442250 /nfs/dbraw/zinc/44/22/50/565442250.db2.gz BYCKXVZJNPKLNR-LSDHHAIUSA-N -1 3 379.503 3.224 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(Cl)nc2Cl)s1 ZINC000299252604 565444911 /nfs/dbraw/zinc/44/49/11/565444911.db2.gz SJQNEIVVZKZSMV-UHFFFAOYSA-N -1 3 393.277 3.147 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2nc3cc(Cl)ccc3s2)c(=O)[n-]1 ZINC000299279661 565446363 /nfs/dbraw/zinc/44/63/63/565446363.db2.gz YUXNSBLYOARHKB-UHFFFAOYSA-N -1 3 376.869 3.311 20 0 GGADHM Cc1cc(Br)cc(C)c1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000299349872 565448103 /nfs/dbraw/zinc/44/81/03/565448103.db2.gz STRUHIZIXQTPTE-UHFFFAOYSA-N -1 3 392.297 3.427 20 0 GGADHM CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]c2c(C)noc2C)ccc1Cl ZINC000299351445 565448486 /nfs/dbraw/zinc/44/84/86/565448486.db2.gz XDVDZVMHCODJEX-UHFFFAOYSA-N -1 3 385.873 3.228 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000276415994 565448598 /nfs/dbraw/zinc/44/85/98/565448598.db2.gz HWNUEONVNPBYLB-NSHDSACASA-N -1 3 385.251 3.328 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000276415994 565448601 /nfs/dbraw/zinc/44/86/01/565448601.db2.gz HWNUEONVNPBYLB-NSHDSACASA-N -1 3 385.251 3.328 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000171779059 565450778 /nfs/dbraw/zinc/45/07/78/565450778.db2.gz MWDQILKGZYZXJF-UHFFFAOYSA-N -1 3 377.853 3.473 20 0 GGADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000189240421 565453334 /nfs/dbraw/zinc/45/33/34/565453334.db2.gz FZIZXOPDMDBSCN-GFCCVEGCSA-N -1 3 384.263 3.245 20 0 GGADHM CC[C@@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)sc2C1 ZINC000171850750 565454073 /nfs/dbraw/zinc/45/40/73/565454073.db2.gz UZXTUKVESYGJCY-SNVBAGLBSA-N -1 3 399.563 3.222 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)c1 ZINC000171834794 565454198 /nfs/dbraw/zinc/45/41/98/565454198.db2.gz GCRLSJDJDDASOG-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000276674700 565456139 /nfs/dbraw/zinc/45/61/39/565456139.db2.gz KYQVCRVLMLHLRZ-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC2CCC(C(F)(F)F)CC2)ccc1F ZINC000299604606 565456946 /nfs/dbraw/zinc/45/69/46/565456946.db2.gz HOZACOJCTGSCER-UHFFFAOYSA-N -1 3 382.379 3.048 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)cc2Cl)no1 ZINC000299605811 565457039 /nfs/dbraw/zinc/45/70/39/565457039.db2.gz GXBFSGUWFGHWKW-UHFFFAOYSA-N -1 3 394.678 3.008 20 0 GGADHM Cc1n[nH]cc1C1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000376862427 565458041 /nfs/dbraw/zinc/45/80/41/565458041.db2.gz WIVKOWQNVYDSPY-UHFFFAOYSA-N -1 3 393.285 3.275 20 0 GGADHM COc1c(Cl)cc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)[N-]C2=O)cc1Cl ZINC000299674508 565459028 /nfs/dbraw/zinc/45/90/28/565459028.db2.gz RKGYADUWZWRNGX-OIBJUYFYSA-N -1 3 385.169 3.398 20 0 GGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2sccc2Br)n[nH]1 ZINC000276799625 565461263 /nfs/dbraw/zinc/46/12/63/565461263.db2.gz GFUAMNZCEPLXMH-SFYZADRCSA-N -1 3 393.332 3.182 20 0 GGADHM Cc1ncsc1CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172001833 565461974 /nfs/dbraw/zinc/46/19/74/565461974.db2.gz KDKJRSHCXGSXLU-UHFFFAOYSA-N -1 3 392.278 3.328 20 0 GGADHM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccnc1 ZINC000172010475 565462946 /nfs/dbraw/zinc/46/29/46/565462946.db2.gz WJYCTQORVGCGNT-UHFFFAOYSA-N -1 3 381.885 3.088 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(I)cc1Cl ZINC000189472754 565467248 /nfs/dbraw/zinc/46/72/48/565467248.db2.gz LOMSWTKQIWRAOM-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(I)cc1Cl ZINC000189472754 565467250 /nfs/dbraw/zinc/46/72/50/565467250.db2.gz LOMSWTKQIWRAOM-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM CCOC(=O)c1csc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)n1 ZINC000189472662 565467890 /nfs/dbraw/zinc/46/78/90/565467890.db2.gz ZGQKWKPWUQHEPC-UHFFFAOYSA-N -1 3 396.881 3.355 20 0 GGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276937083 565468066 /nfs/dbraw/zinc/46/80/66/565468066.db2.gz BNOCBIAUUFFLSU-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC000172172625 565469514 /nfs/dbraw/zinc/46/95/14/565469514.db2.gz GRFGJLOFTIEBCQ-CYBMUJFWSA-N -1 3 387.571 3.014 20 0 GGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000276996810 565469912 /nfs/dbraw/zinc/46/99/12/565469912.db2.gz TXNYAKLLRFSUCA-ZJUUUORDSA-N -1 3 387.303 3.120 20 0 GGADHM COc1cc(Br)c(CNCCc2cccc(C(=O)[O-])c2)cc1OC ZINC000276978910 565469989 /nfs/dbraw/zinc/46/99/89/565469989.db2.gz HZNOJPDNKGGMEE-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@@H](OC)CC2)cc(Br)c1[O-] ZINC000377232997 565471309 /nfs/dbraw/zinc/47/13/09/565471309.db2.gz QKOIAKUULZOQCV-URWSZGRFSA-N -1 3 384.270 3.204 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(Cl)c1Br ZINC000277045653 565473796 /nfs/dbraw/zinc/47/37/96/565473796.db2.gz KXQOSNWWSJHTCO-CMPLNLGQSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc3c(c2)CCC3)CC1)c1cccs1 ZINC000172286208 565475427 /nfs/dbraw/zinc/47/54/27/565475427.db2.gz PNOWLFUQWFTPAC-UHFFFAOYSA-N -1 3 376.547 3.180 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000277087952 565475935 /nfs/dbraw/zinc/47/59/35/565475935.db2.gz RDQCBNHWRBPAEP-SECBINFHSA-N -1 3 382.707 3.338 20 0 GGADHM O=C([O-])Cc1ccccc1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000277107400 565476801 /nfs/dbraw/zinc/47/68/01/565476801.db2.gz ZVTRQTJZFCDGAN-UHFFFAOYSA-N -1 3 392.249 3.137 20 0 GGADHM COc1cccc(C[C@@H](NCc2cc(Br)ccc2OC)C(=O)[O-])c1 ZINC000277111426 565477050 /nfs/dbraw/zinc/47/70/50/565477050.db2.gz AIYDIHDOOLWSQQ-MRXNPFEDSA-N -1 3 394.265 3.252 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000277113717 565477130 /nfs/dbraw/zinc/47/71/30/565477130.db2.gz VZTTXOPENSERSV-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)[n-]1 ZINC000377372716 565477057 /nfs/dbraw/zinc/47/70/57/565477057.db2.gz OODYXOKNGJQLTA-LLVKDONJSA-N -1 3 377.491 3.206 20 0 GGADHM CSc1cc(Br)ccc1CN[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000277125684 565478296 /nfs/dbraw/zinc/47/82/96/565478296.db2.gz BGPJNYXHTAWYMJ-AWEZNQCLSA-N -1 3 387.343 3.200 20 0 GGADHM COC(=O)c1c(C)c(NC([O-])=NO[C@H]2CCCCO2)ccc1Br ZINC000277134153 565478484 /nfs/dbraw/zinc/47/84/84/565478484.db2.gz GERKVYVRQBUKHL-LBPRGKRZSA-N -1 3 387.230 3.124 20 0 GGADHM COC(=O)c1c(Br)ccc(NC(=O)[N-]O[C@H]2CCCCO2)c1C ZINC000277134153 565478489 /nfs/dbraw/zinc/47/84/89/565478489.db2.gz GERKVYVRQBUKHL-LBPRGKRZSA-N -1 3 387.230 3.124 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000189668223 565480829 /nfs/dbraw/zinc/48/08/29/565480829.db2.gz HWMFAWHDZLCDLT-SECBINFHSA-N -1 3 375.418 3.161 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189668942 565480902 /nfs/dbraw/zinc/48/09/02/565480902.db2.gz KGLGJAJXMYRKFT-NXEZZACHSA-N -1 3 385.429 3.243 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc([C@@H]4C[C@]45CCOC5)n3)[n-]2)c1 ZINC000377462961 565481503 /nfs/dbraw/zinc/48/15/03/565481503.db2.gz KZNQRBVRQWOKTB-ZBEGNZNMSA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@@H]4C[C@]45CCOC5)n3)n2)c1 ZINC000377462961 565481508 /nfs/dbraw/zinc/48/15/08/565481508.db2.gz KZNQRBVRQWOKTB-ZBEGNZNMSA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2nc(-c3noc([C@@H]4C[C@]45CCOC5)n3)n[n-]2)c1 ZINC000377462961 565481514 /nfs/dbraw/zinc/48/15/14/565481514.db2.gz KZNQRBVRQWOKTB-ZBEGNZNMSA-N -1 3 388.225 3.178 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](CC(=O)[O-])C(C)(C)C ZINC000277177867 565481684 /nfs/dbraw/zinc/48/16/84/565481684.db2.gz FAWJVMSIQZLBCQ-ZDUSSCGKSA-N -1 3 375.918 3.360 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(I)ccc1Cl ZINC000189723277 565484307 /nfs/dbraw/zinc/48/43/07/565484307.db2.gz LTSMUSQVFJJBJO-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1cc(I)ccc1Cl ZINC000189723277 565484303 /nfs/dbraw/zinc/48/43/03/565484303.db2.gz LTSMUSQVFJJBJO-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000377533177 565485272 /nfs/dbraw/zinc/48/52/72/565485272.db2.gz GEEZJTCMPHQUIF-UHFFFAOYSA-N -1 3 395.893 3.346 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cc(Br)c(Cl)s1 ZINC000277278506 565486793 /nfs/dbraw/zinc/48/67/93/565486793.db2.gz LWADCSFOUAGJDZ-LLVKDONJSA-N -1 3 381.723 3.193 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cc(Cl)ccc1Br ZINC000277278429 565486925 /nfs/dbraw/zinc/48/69/25/565486925.db2.gz LVHMCUKVYLUZKG-CQSZACIVSA-N -1 3 375.694 3.131 20 0 GGADHM O=C(NCCCOCC1CCOCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189823292 565490975 /nfs/dbraw/zinc/49/09/75/565490975.db2.gz OIEFQXYQHPREKU-UHFFFAOYSA-N -1 3 383.901 3.355 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2cc(Cl)cs2)ccc1F ZINC000172566641 565491603 /nfs/dbraw/zinc/49/16/03/565491603.db2.gz YTLDXVRSOZXNGV-UHFFFAOYSA-N -1 3 376.862 3.483 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Cl)cc1Cl ZINC000277370247 565492198 /nfs/dbraw/zinc/49/21/98/565492198.db2.gz QHSYCFCYTZCRHW-NSHDSACASA-N -1 3 382.169 3.452 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Cl)cc1Cl ZINC000277370237 565492354 /nfs/dbraw/zinc/49/23/54/565492354.db2.gz QHSYCFCYTZCRHW-LLVKDONJSA-N -1 3 382.169 3.452 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCc2ccsc2)ccc1F ZINC000172585070 565493194 /nfs/dbraw/zinc/49/31/94/565493194.db2.gz UEEKOBNQKNJSKK-UHFFFAOYSA-N -1 3 385.486 3.286 20 0 GGADHM Cc1nc2ccc(Br)cc2c(NCCCc2nc(=O)[n-][nH]2)c1C ZINC000301572492 565497040 /nfs/dbraw/zinc/49/70/40/565497040.db2.gz YNMKSPJBCDWEPM-UHFFFAOYSA-N -1 3 376.258 3.070 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000277438420 565497083 /nfs/dbraw/zinc/49/70/83/565497083.db2.gz UKHKVAOHEPTCBV-GFCCVEGCSA-N -1 3 392.677 3.377 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)s1 ZINC000190017533 565501888 /nfs/dbraw/zinc/50/18/88/565501888.db2.gz QBTDCFRYHXJHSY-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CCc1nnc(NC([O-])=NOCc2ccc(F)cc2Br)s1 ZINC000190045706 565503992 /nfs/dbraw/zinc/50/39/92/565503992.db2.gz DRKOBFDJXUTURC-UHFFFAOYSA-N -1 3 375.223 3.255 20 0 GGADHM CCc1nnc(NC(=O)[N-]OCc2ccc(F)cc2Br)s1 ZINC000190045706 565503997 /nfs/dbraw/zinc/50/39/97/565503997.db2.gz DRKOBFDJXUTURC-UHFFFAOYSA-N -1 3 375.223 3.255 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000172811958 565504997 /nfs/dbraw/zinc/50/49/97/565504997.db2.gz WOSBHSDHQPNFFT-UHFFFAOYSA-N -1 3 378.519 3.187 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1(c2ccccc2C)CC1 ZINC000190055583 565505677 /nfs/dbraw/zinc/50/56/77/565505677.db2.gz LPUMFSRCYZKBPC-UHFFFAOYSA-N -1 3 379.503 3.162 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)c1nc(C)c(C)s1 ZINC000190104495 565507463 /nfs/dbraw/zinc/50/74/63/565507463.db2.gz FCQBUXGQVRPBNK-UHFFFAOYSA-N -1 3 388.536 3.130 20 0 GGADHM Cc1nc2ccccc2nc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000301809962 565511007 /nfs/dbraw/zinc/51/10/07/565511007.db2.gz XCTYIMIMWUWDHA-UHFFFAOYSA-N -1 3 382.898 3.044 20 0 GGADHM CN(C)C1(CN(C)C(=O)c2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000190149334 565511962 /nfs/dbraw/zinc/51/19/62/565511962.db2.gz CQLRAWUEZHTKBF-UHFFFAOYSA-N -1 3 375.694 3.364 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000190152014 565512510 /nfs/dbraw/zinc/51/25/10/565512510.db2.gz UKKPZNYRLBOQRT-NSHDSACASA-N -1 3 386.520 3.038 20 0 GGADHM Cc1cc2c(ncnc2N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000301841693 565513202 /nfs/dbraw/zinc/51/32/02/565513202.db2.gz CFDFWFRUYHMKNC-UHFFFAOYSA-N -1 3 394.547 3.009 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c(Br)c1 ZINC000172953071 565514908 /nfs/dbraw/zinc/51/49/08/565514908.db2.gz WMFXIGXEKHDQEZ-LLVKDONJSA-N -1 3 398.278 3.275 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Br)c(F)cc1F ZINC000190238007 565517776 /nfs/dbraw/zinc/51/77/76/565517776.db2.gz ZCYRGNJONRHLEU-UHFFFAOYSA-N -1 3 390.209 3.093 20 0 GGADHM CC(C)Nc1cc(F)ccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000172999783 565518192 /nfs/dbraw/zinc/51/81/92/565518192.db2.gz FJDMYGBHCCQDLO-NSHDSACASA-N -1 3 385.486 3.013 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(Br)c(F)cc2C)c(=O)[n-]1 ZINC000190261022 565519047 /nfs/dbraw/zinc/51/90/47/565519047.db2.gz ODXWKGFWTJHOIP-UHFFFAOYSA-N -1 3 382.233 3.168 20 0 GGADHM CCC1([N-]S(=O)(=O)c2ccc(Br)cc2Br)CC1 ZINC000379716453 565539483 /nfs/dbraw/zinc/53/94/83/565539483.db2.gz KZXFSGMTQKXHMT-UHFFFAOYSA-N -1 3 383.105 3.433 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC000190309173 565520726 /nfs/dbraw/zinc/52/07/26/565520726.db2.gz ZAMPGTADQGOJLV-UHFFFAOYSA-N -1 3 379.503 3.144 20 0 GGADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)OC ZINC000381173245 565541424 /nfs/dbraw/zinc/54/14/24/565541424.db2.gz COXHWVRSSBNPBI-CABZTGNLSA-N -1 3 384.723 3.442 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccco1 ZINC000277827242 565521816 /nfs/dbraw/zinc/52/18/16/565521816.db2.gz YUFXFJMWDGJRPV-UHFFFAOYSA-N -1 3 375.368 3.283 20 0 GGADHM [O-]c1ccc(Br)c(CN2CCn3c(Cc4ccccc4)nnc3C2)c1 ZINC000378348216 565522533 /nfs/dbraw/zinc/52/25/33/565522533.db2.gz XPYVLFZHYVFJNK-UHFFFAOYSA-N -1 3 399.292 3.353 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCOCC1 ZINC000383381294 565543226 /nfs/dbraw/zinc/54/32/26/565543226.db2.gz NANPFEAFILGXGJ-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000190374283 565526457 /nfs/dbraw/zinc/52/64/57/565526457.db2.gz QLIZOEHRLKIKDD-VIFPVBQESA-N -1 3 375.418 3.161 20 0 GGADHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000173120751 565528696 /nfs/dbraw/zinc/52/86/96/565528696.db2.gz YVXWWYFYPKODCC-UHFFFAOYSA-N -1 3 378.441 3.379 20 0 GGADHM Cc1cccc([O-])c1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000190400916 565528962 /nfs/dbraw/zinc/52/89/62/565528962.db2.gz HVHVOPPALJHOLE-UHFFFAOYSA-N -1 3 378.222 3.416 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000173129662 565529014 /nfs/dbraw/zinc/52/90/14/565529014.db2.gz UEUWHQNNLMTFSL-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000190450480 565533365 /nfs/dbraw/zinc/53/33/65/565533365.db2.gz INZJNTOFEAZPOT-GFCCVEGCSA-N -1 3 387.860 3.371 20 0 GGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCSCC2)c(Cl)c1 ZINC000278002795 565533454 /nfs/dbraw/zinc/53/34/54/565533454.db2.gz FYARTBBXZWVGEF-LLVKDONJSA-N -1 3 393.818 3.270 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000190459943 565534377 /nfs/dbraw/zinc/53/43/77/565534377.db2.gz UXBKLZJMMLXFQY-UHFFFAOYSA-N -1 3 387.860 3.025 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000190462578 565534562 /nfs/dbraw/zinc/53/45/62/565534562.db2.gz FBFLRMPPLILLHD-QWHCGFSZSA-N -1 3 384.885 3.188 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000190462563 565534766 /nfs/dbraw/zinc/53/47/66/565534766.db2.gz FBFLRMPPLILLHD-OLZOCXBDSA-N -1 3 384.885 3.188 20 0 GGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000173204010 565536406 /nfs/dbraw/zinc/53/64/06/565536406.db2.gz SDCPHZXNQCKSNO-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000173204010 565536408 /nfs/dbraw/zinc/53/64/08/565536408.db2.gz SDCPHZXNQCKSNO-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000173204010 565536413 /nfs/dbraw/zinc/53/64/13/565536413.db2.gz SDCPHZXNQCKSNO-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3cc(F)ccc3Cl)CC2)nc1 ZINC000173210428 565537007 /nfs/dbraw/zinc/53/70/07/565537007.db2.gz CYGYFSJGFAQWCN-UHFFFAOYSA-N -1 3 383.876 3.130 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000190515736 565537776 /nfs/dbraw/zinc/53/77/76/565537776.db2.gz DNLWKDKURRSFQP-LBPRGKRZSA-N -1 3 387.860 3.371 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)sc1C ZINC000173225068 565538158 /nfs/dbraw/zinc/53/81/58/565538158.db2.gz QKXVLJLCWJWIAC-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(Br)ccc1C ZINC000190509392 565538204 /nfs/dbraw/zinc/53/82/04/565538204.db2.gz RKUJLQUNXPTIHL-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)sc1C ZINC000173225947 565538512 /nfs/dbraw/zinc/53/85/12/565538512.db2.gz HMLAVLYDPKNDPX-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000190522401 565538990 /nfs/dbraw/zinc/53/89/90/565538990.db2.gz HIJRXKVSLZWFBQ-LLVKDONJSA-N -1 3 375.899 3.294 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2SCCc3ccccc32)ccc1F ZINC000173252043 565540757 /nfs/dbraw/zinc/54/07/57/565540757.db2.gz SVQVAERJJGLOIM-INIZCTEOSA-N -1 3 380.466 3.166 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000381158567 565540897 /nfs/dbraw/zinc/54/08/97/565540897.db2.gz MPVPVRGCFLBAFU-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)OC ZINC000381173246 565541115 /nfs/dbraw/zinc/54/11/15/565541115.db2.gz COXHWVRSSBNPBI-JOYOIKCWSA-N -1 3 384.723 3.442 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCCO1 ZINC000381804384 565541656 /nfs/dbraw/zinc/54/16/56/565541656.db2.gz QQTSOTYWHSQBRG-CABZTGNLSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000173310861 565547109 /nfs/dbraw/zinc/54/71/09/565547109.db2.gz ATMDVMUCRBAYAG-UHFFFAOYSA-N -1 3 379.379 3.108 20 0 GGADHM COc1cccc2c1ncc(C)c2NCC[N-]S(=O)(=O)c1cccs1 ZINC000302605187 565547515 /nfs/dbraw/zinc/54/75/15/565547515.db2.gz DAWZCVBWVNRHLO-UHFFFAOYSA-N -1 3 377.491 3.004 20 0 GGADHM O=S(=O)([N-]CCNc1ccnc2c(F)cccc12)c1ccc(Cl)s1 ZINC000302672501 565549928 /nfs/dbraw/zinc/54/99/28/565549928.db2.gz LDDKTVLBQDVBCC-UHFFFAOYSA-N -1 3 385.873 3.479 20 0 GGADHM COc1ccc(-c2nc(Sc3nccc(C)n3)n[n-]2)cc1Br ZINC000302701226 565551080 /nfs/dbraw/zinc/55/10/80/565551080.db2.gz UVZUSYPINYGLSV-UHFFFAOYSA-N -1 3 378.255 3.492 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccccc2OC(F)F)o1 ZINC000173352227 565551247 /nfs/dbraw/zinc/55/12/47/565551247.db2.gz KUPADSCNFSMHSB-LBPRGKRZSA-N -1 3 375.393 3.109 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc(Br)c2)o1 ZINC000173355004 565551399 /nfs/dbraw/zinc/55/13/99/565551399.db2.gz QUDHGYDBDRYPNX-AWEZNQCLSA-N -1 3 388.283 3.271 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C[C@H](C)O ZINC000190705074 565553113 /nfs/dbraw/zinc/55/31/13/565553113.db2.gz QURARZXIJDQDLB-OLZOCXBDSA-N -1 3 375.918 3.204 20 0 GGADHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190705059 565553370 /nfs/dbraw/zinc/55/33/70/565553370.db2.gz QURARZXIJDQDLB-STQMWFEESA-N -1 3 375.918 3.204 20 0 GGADHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190705023 565553395 /nfs/dbraw/zinc/55/33/95/565553395.db2.gz QURARZXIJDQDLB-QWHCGFSZSA-N -1 3 375.918 3.204 20 0 GGADHM Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)c2ccc(F)c(F)c2n1 ZINC000302738176 565553503 /nfs/dbraw/zinc/55/35/03/565553503.db2.gz QBPSAVOQJFCQGQ-UHFFFAOYSA-N -1 3 383.445 3.273 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCOC1 ZINC000389197979 565553753 /nfs/dbraw/zinc/55/37/53/565553753.db2.gz PEWQLYHLSHZJNR-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000393446748 565568804 /nfs/dbraw/zinc/56/88/04/565568804.db2.gz BAUHDJCWBXFSNU-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000390358067 565555860 /nfs/dbraw/zinc/55/58/60/565555860.db2.gz JEVABRSWDHJEGI-ZDUSSCGKSA-N -1 3 399.310 3.118 20 0 GGADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000390644884 565557941 /nfs/dbraw/zinc/55/79/41/565557941.db2.gz IDOCSRDJNHALML-OAHLLOKOSA-N -1 3 378.222 3.136 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)cc1OC ZINC000173487163 565561024 /nfs/dbraw/zinc/56/10/24/565561024.db2.gz PBWFOMRECZFOKH-OAHLLOKOSA-N -1 3 386.470 3.037 20 0 GGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1ccc(Br)cc1Br ZINC000173519595 565563575 /nfs/dbraw/zinc/56/35/75/565563575.db2.gz OQPSCPWNFKGJGN-UHFFFAOYSA-N -1 3 394.088 3.018 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Br)C(C)C ZINC000173522126 565563843 /nfs/dbraw/zinc/56/38/43/565563843.db2.gz MZPJAJWNAWATFP-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Br)C(C)C ZINC000173522116 565563982 /nfs/dbraw/zinc/56/39/82/565563982.db2.gz MZPJAJWNAWATFP-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1ccc(Br)s1 ZINC000173535809 565564327 /nfs/dbraw/zinc/56/43/27/565564327.db2.gz QIEVPBATWNUJTK-QWRGUYRKSA-N -1 3 390.328 3.169 20 0 GGADHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1[O-] ZINC000302983236 565565782 /nfs/dbraw/zinc/56/57/82/565565782.db2.gz KUSSBXGOZPBTNA-CQSZACIVSA-N -1 3 379.254 3.315 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000173626911 565571782 /nfs/dbraw/zinc/57/17/82/565571782.db2.gz LNNUYUFIGJKNPR-UHFFFAOYSA-N -1 3 392.424 3.382 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2scc(C)c2Br)s1 ZINC000190987060 565574994 /nfs/dbraw/zinc/57/49/94/565574994.db2.gz KYOLRTPJPIEMSF-UHFFFAOYSA-N -1 3 390.284 3.028 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000190973677 565575097 /nfs/dbraw/zinc/57/50/97/565575097.db2.gz MNOAPRZAADXJDZ-INIZCTEOSA-N -1 3 383.286 3.255 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(F)(F)F ZINC000396877651 565575381 /nfs/dbraw/zinc/57/53/81/565575381.db2.gz AEVDZCFJTMKGFI-ZETCQYMHSA-N -1 3 378.185 3.455 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000278764431 565576279 /nfs/dbraw/zinc/57/62/79/565576279.db2.gz KMLMKRSSGDWXNI-HIFRSBDPSA-N -1 3 383.897 3.182 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000278831912 565579743 /nfs/dbraw/zinc/57/97/43/565579743.db2.gz QRMMNZNFEUWQHS-BGJPBQGDSA-N -1 3 387.910 3.126 20 0 GGADHM COc1c(Br)c(C)sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000173747645 565581271 /nfs/dbraw/zinc/58/12/71/565581271.db2.gz PZRGIAAGZOZVAV-UHFFFAOYSA-N -1 3 385.165 3.217 20 0 GGADHM COc1c(Br)c(C)sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000173747645 565581272 /nfs/dbraw/zinc/58/12/72/565581272.db2.gz PZRGIAAGZOZVAV-UHFFFAOYSA-N -1 3 385.165 3.217 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cncc(Br)c1)CC(F)(F)F ZINC000402287672 565582011 /nfs/dbraw/zinc/58/20/11/565582011.db2.gz OGKSXSJMWVKRPY-QMMMGPOBSA-N -1 3 375.210 3.101 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1 ZINC000278859512 565582159 /nfs/dbraw/zinc/58/21/59/565582159.db2.gz UEFTZCDGPZRTSU-ZDUSSCGKSA-N -1 3 391.942 3.072 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1c(Cl)cccc1Br ZINC000312721473 565582286 /nfs/dbraw/zinc/58/22/86/565582286.db2.gz UWVDSHLXLBCHTF-VXGBXAGGSA-N -1 3 382.707 3.074 20 0 GGADHM C[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Br)s1 ZINC000173750841 565582372 /nfs/dbraw/zinc/58/23/72/565582372.db2.gz FQSZMYUSEOXYGK-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Br)s1 ZINC000173750841 565582374 /nfs/dbraw/zinc/58/23/74/565582374.db2.gz FQSZMYUSEOXYGK-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Br)s1 ZINC000173750841 565582377 /nfs/dbraw/zinc/58/23/77/565582377.db2.gz FQSZMYUSEOXYGK-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM CC(C)n1cc(Br)cc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000173750711 565583095 /nfs/dbraw/zinc/58/30/95/565583095.db2.gz JODVODVVOKEURN-UHFFFAOYSA-N -1 3 375.230 3.264 20 0 GGADHM CC(C)n1cc(Br)cc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000173750711 565583097 /nfs/dbraw/zinc/58/30/97/565583097.db2.gz JODVODVVOKEURN-UHFFFAOYSA-N -1 3 375.230 3.264 20 0 GGADHM CC(C)n1cc(Br)cc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000173750711 565583103 /nfs/dbraw/zinc/58/31/03/565583103.db2.gz JODVODVVOKEURN-UHFFFAOYSA-N -1 3 375.230 3.264 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000191099096 565583222 /nfs/dbraw/zinc/58/32/22/565583222.db2.gz WXILSWDDCBUGBN-UHFFFAOYSA-N -1 3 383.344 3.200 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(C(C)=O)ccc3Cl)cc12 ZINC000191177936 565586238 /nfs/dbraw/zinc/58/62/38/565586238.db2.gz PBWBTRGBUXFWFX-UHFFFAOYSA-N -1 3 379.825 3.442 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)ccc1F ZINC000191179443 565586440 /nfs/dbraw/zinc/58/64/40/565586440.db2.gz AEUCGZDZIQDKIP-UHFFFAOYSA-N -1 3 384.816 3.441 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c(C)c2)s1 ZINC000173811245 565588233 /nfs/dbraw/zinc/58/82/33/565588233.db2.gz YNCLWACKPQQGQB-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Br)ccc2C)s1 ZINC000173811553 565588735 /nfs/dbraw/zinc/58/87/35/565588735.db2.gz YGCFVHRYBYGAIA-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)s1 ZINC000173814202 565589493 /nfs/dbraw/zinc/58/94/93/565589493.db2.gz MSHFOKKYCSKMNP-UHFFFAOYSA-N -1 3 381.306 3.499 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000173813824 565589700 /nfs/dbraw/zinc/58/97/00/565589700.db2.gz HSAIPALAYJSBCJ-UHFFFAOYSA-N -1 3 382.841 3.439 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000173812257 565590054 /nfs/dbraw/zinc/59/00/54/565590054.db2.gz ZQJAGLHQYUXLGK-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)sc1Br ZINC000408087041 565592941 /nfs/dbraw/zinc/59/29/41/565592941.db2.gz BMBBSGLHNYBLNL-GHMZBOCLSA-N -1 3 382.345 3.301 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CCCC2)C1)c1sccc1Br ZINC000173867154 565594803 /nfs/dbraw/zinc/59/48/03/565594803.db2.gz DKBBRVJGVZZHRF-LBPRGKRZSA-N -1 3 393.372 3.053 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000318194366 565595864 /nfs/dbraw/zinc/59/58/64/565595864.db2.gz LSLDNSDQSGZSCH-UHFFFAOYSA-N -1 3 387.274 3.003 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000318983229 565598368 /nfs/dbraw/zinc/59/83/68/565598368.db2.gz POFBBLUSZFSDMN-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CCCCC2)CC1)c1ccc(Br)o1 ZINC000408213078 565599019 /nfs/dbraw/zinc/59/90/19/565599019.db2.gz CMULVYDMYPKRKO-UHFFFAOYSA-N -1 3 391.331 3.118 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Br)cnn1C ZINC000320117417 565600956 /nfs/dbraw/zinc/60/09/56/565600956.db2.gz HKZUHDVQNGDWPL-UHFFFAOYSA-N -1 3 398.204 3.311 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000320425915 565601971 /nfs/dbraw/zinc/60/19/71/565601971.db2.gz ATITXQDXVSQXRK-UHFFFAOYSA-N -1 3 399.310 3.320 20 0 GGADHM CC1(C)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000408274727 565602045 /nfs/dbraw/zinc/60/20/45/565602045.db2.gz NUPZTFOPNLZXOY-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM CC1(C)CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCO1 ZINC000408274727 565602046 /nfs/dbraw/zinc/60/20/46/565602046.db2.gz NUPZTFOPNLZXOY-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000173977041 565603983 /nfs/dbraw/zinc/60/39/83/565603983.db2.gz AFKOKFJTDFXQRO-UHFFFAOYSA-N -1 3 397.294 3.310 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000173977897 565604070 /nfs/dbraw/zinc/60/40/70/565604070.db2.gz DPHBRAMISSZDRB-UHFFFAOYSA-N -1 3 377.447 3.335 20 0 GGADHM COc1cccc(N2CCN(Cc3cc([O-])ccc3Br)CC2)c1 ZINC000321869856 565606735 /nfs/dbraw/zinc/60/67/35/565606735.db2.gz KRBIBPLTINMZTF-UHFFFAOYSA-N -1 3 377.282 3.486 20 0 GGADHM C[C@](CO)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000323037097 565611837 /nfs/dbraw/zinc/61/18/37/565611837.db2.gz AWHZEPWXNFBVBD-OAHLLOKOSA-N -1 3 378.252 3.319 20 0 GGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2cc(Br)ccc2C1 ZINC000191564827 565613835 /nfs/dbraw/zinc/61/38/35/565613835.db2.gz NJWXCYJOYREYRA-UHFFFAOYSA-N -1 3 383.245 3.489 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC ZINC000325092430 565620296 /nfs/dbraw/zinc/62/02/96/565620296.db2.gz MLMBZYRFHMPYOK-CYBMUJFWSA-N -1 3 387.807 3.369 20 0 GGADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)nnn1CC1CCCC1 ZINC000279589649 565621928 /nfs/dbraw/zinc/62/19/28/565621928.db2.gz XKKUHDMPJBOFSL-UHFFFAOYSA-N -1 3 393.285 3.175 20 0 GGADHM O=C(CC[C@H]1CCCO1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409544700 565623906 /nfs/dbraw/zinc/62/39/06/565623906.db2.gz SZYYRXUXAWIMPA-SNVBAGLBSA-N -1 3 383.221 3.271 20 0 GGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)cn1 ZINC000409542590 565623915 /nfs/dbraw/zinc/62/39/15/565623915.db2.gz IAFHBALHOKXJKQ-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000326122346 565624074 /nfs/dbraw/zinc/62/40/74/565624074.db2.gz OKRQXTYOGKSGHH-LBPRGKRZSA-N -1 3 383.516 3.359 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCSC(C)(C)CC3)nc(=O)c2c1C ZINC000279666294 565625633 /nfs/dbraw/zinc/62/56/33/565625633.db2.gz DMGJXAYILCHQPH-UHFFFAOYSA-N -1 3 381.523 3.209 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1Cl ZINC000174294608 565628561 /nfs/dbraw/zinc/62/85/61/565628561.db2.gz ADWVRDPSBVQHCE-UHFFFAOYSA-N -1 3 393.774 3.378 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000174325789 565629612 /nfs/dbraw/zinc/62/96/12/565629612.db2.gz CDTAMRXYRMLAGM-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1cc(F)ccc1OC ZINC000327505917 565630650 /nfs/dbraw/zinc/63/06/50/565630650.db2.gz HPOPSLPENLUBTJ-SNVBAGLBSA-N -1 3 387.454 3.030 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1ccco1 ZINC000279753763 565631536 /nfs/dbraw/zinc/63/15/36/565631536.db2.gz LRLQETXZEWZIEP-GFCCVEGCSA-N -1 3 389.857 3.006 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000327635091 565631871 /nfs/dbraw/zinc/63/18/71/565631871.db2.gz QTEDWTIZRSFXOZ-CQSZACIVSA-N -1 3 381.450 3.128 20 0 GGADHM CC[C@H]1CCCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000279807909 565635422 /nfs/dbraw/zinc/63/54/22/565635422.db2.gz FLQZBEDKIXHSDQ-GOEBONIOSA-N -1 3 384.567 3.234 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cccs2)cc(N2CCN(C(C)C)CC2)c1 ZINC000191839950 565636955 /nfs/dbraw/zinc/63/69/55/565636955.db2.gz DQBBDDJQZXPUCU-UHFFFAOYSA-N -1 3 379.551 3.388 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000174472181 565637756 /nfs/dbraw/zinc/63/77/56/565637756.db2.gz FHRWMKIOZCTOSP-HYSWKAIVSA-N -1 3 398.937 3.193 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 ZINC000328680114 565637802 /nfs/dbraw/zinc/63/78/02/565637802.db2.gz NMTQUFFLPGCJOE-MVWJERBFSA-N -1 3 392.340 3.055 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(Br)cc1F ZINC000328694200 565638260 /nfs/dbraw/zinc/63/82/60/565638260.db2.gz CUPFJDYXQPWXSH-CQSZACIVSA-N -1 3 392.290 3.216 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc2ccccc21 ZINC000191854287 565638310 /nfs/dbraw/zinc/63/83/10/565638310.db2.gz JGEQYEAXSGHCAG-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1cc(C(F)(F)F)ccc1F ZINC000328669839 565638665 /nfs/dbraw/zinc/63/86/65/565638665.db2.gz MHGAOMQXFUEKCZ-AWEZNQCLSA-N -1 3 381.391 3.472 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)NC(=O)CO3)sc1Cl ZINC000191876879 565638929 /nfs/dbraw/zinc/63/89/29/565638929.db2.gz MPINATDGRLLKQJ-SECBINFHSA-N -1 3 386.882 3.080 20 0 GGADHM O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1cc(Br)ccc1[O-] ZINC000409783998 565639864 /nfs/dbraw/zinc/63/98/64/565639864.db2.gz NIIOCTJNLNQGAP-GFCCVEGCSA-N -1 3 381.270 3.346 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CN2CCCC2=O)c2ccccc2)sc1Cl ZINC000191895358 565640193 /nfs/dbraw/zinc/64/01/93/565640193.db2.gz SGMBIASJCWIYCW-CQSZACIVSA-N -1 3 398.937 3.352 20 0 GGADHM CC(C)c1occc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000279925082 565640442 /nfs/dbraw/zinc/64/04/42/565640442.db2.gz FNXHCDBKKBQRRA-UHFFFAOYSA-N -1 3 382.507 3.048 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC(=O)NC3(C)C)s2)cs1 ZINC000328751656 565640687 /nfs/dbraw/zinc/64/06/87/565640687.db2.gz RBJGFRQCGNIJFN-LBPRGKRZSA-N -1 3 385.536 3.356 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000191903428 565641229 /nfs/dbraw/zinc/64/12/29/565641229.db2.gz ADOSIJNNIDBTHH-UHFFFAOYSA-N -1 3 392.974 3.415 20 0 GGADHM O=S(=O)([N-][C@]1(Cc2ccc(Cl)cc2)CCOC1)c1cncc(Cl)c1 ZINC000409810260 565641527 /nfs/dbraw/zinc/64/15/27/565641527.db2.gz GCQJQFDRHHSPNO-INIZCTEOSA-N -1 3 387.288 3.069 20 0 GGADHM CCOC(=O)[C@H](CC)SCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000279946844 565641637 /nfs/dbraw/zinc/64/16/37/565641637.db2.gz MTMTYESRWKFHPM-VIFPVBQESA-N -1 3 384.479 3.067 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(Cc3ccccn3)CC2)sc1Cl ZINC000191898484 565641548 /nfs/dbraw/zinc/64/15/48/565641548.db2.gz GHPAKAWOQBQAQC-UHFFFAOYSA-N -1 3 385.942 3.048 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1cccc(Br)c1F ZINC000328805590 565641828 /nfs/dbraw/zinc/64/18/28/565641828.db2.gz LTGFUAKXOLKEPN-ZDUSSCGKSA-N -1 3 392.290 3.216 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(C(F)(F)F)cc1F ZINC000328809093 565642393 /nfs/dbraw/zinc/64/23/93/565642393.db2.gz MLFZHCOVLULDON-AWEZNQCLSA-N -1 3 381.391 3.472 20 0 GGADHM O=C(CCCNC(=O)[C@H]1CC=CCC1)NCc1ccc([O-])c(Br)c1 ZINC000409848157 565643190 /nfs/dbraw/zinc/64/31/90/565643190.db2.gz BMTXMHHNSBGBDI-AWEZNQCLSA-N -1 3 395.297 3.024 20 0 GGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(Br)cn2)[n-]1 ZINC000191962869 565645319 /nfs/dbraw/zinc/64/53/19/565645319.db2.gz FXWUBDREJBVLTP-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)c2ccc(Br)cn2)c(C(=O)OCC)[n-]1 ZINC000191962869 565645325 /nfs/dbraw/zinc/64/53/25/565645325.db2.gz FXWUBDREJBVLTP-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000280001159 565645485 /nfs/dbraw/zinc/64/54/85/565645485.db2.gz MJSCTRUGIRMYPB-SECBINFHSA-N -1 3 393.285 3.437 20 0 GGADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)[C@@H]1c1cccs1 ZINC000328876225 565645597 /nfs/dbraw/zinc/64/55/97/565645597.db2.gz ZRKOZHPPMSQQKB-MLGOLLRUSA-N -1 3 385.942 3.158 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)s1 ZINC000409861490 565645848 /nfs/dbraw/zinc/64/58/48/565645848.db2.gz JUWYXSBMJVKNIG-LLVKDONJSA-N -1 3 387.479 3.189 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)s1 ZINC000409861491 565645879 /nfs/dbraw/zinc/64/58/79/565645879.db2.gz JUWYXSBMJVKNIG-NSHDSACASA-N -1 3 387.479 3.189 20 0 GGADHM O=C(N1CCN2C(=O)[N-]C(=O)[C@H]2C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000328969351 565648267 /nfs/dbraw/zinc/64/82/67/565648267.db2.gz ULTHCYFMIRICSD-CYBMUJFWSA-N -1 3 382.247 3.018 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ncnn1C(C)(C)C ZINC000409924310 565649605 /nfs/dbraw/zinc/64/96/05/565649605.db2.gz TWIOAEWJOHJNSF-UHFFFAOYSA-N -1 3 382.873 3.220 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2sccc2Br)CC1 ZINC000174668730 565650472 /nfs/dbraw/zinc/65/04/72/565650472.db2.gz SCGMGRSQEXBPOI-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)[N-]c1cnns1 ZINC000192027006 565650809 /nfs/dbraw/zinc/65/08/09/565650809.db2.gz KVGWENCEEPEQOT-LBPRGKRZSA-N -1 3 382.873 3.042 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000174669645 565651052 /nfs/dbraw/zinc/65/10/52/565651052.db2.gz ASGLBXRADNNYEE-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM Cn1[n-]c(=NC(=O)C(C)(C)c2ccccc2Br)cc1OC(F)F ZINC000409948708 565651762 /nfs/dbraw/zinc/65/17/62/565651762.db2.gz CRJPOZNESWHPCZ-UHFFFAOYSA-N -1 3 388.212 3.122 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)c1nc(C)cs1 ZINC000329118386 565654646 /nfs/dbraw/zinc/65/46/46/565654646.db2.gz JKFIJVFAQVKQIX-HNNXBMFYSA-N -1 3 399.929 3.060 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174733563 565654589 /nfs/dbraw/zinc/65/45/89/565654589.db2.gz UNEPBVPXCFAIHL-UHFFFAOYSA-N -1 3 380.853 3.175 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329142914 565655436 /nfs/dbraw/zinc/65/54/36/565655436.db2.gz VHFGMONBCHGPHJ-RYUDHWBXSA-N -1 3 388.946 3.034 20 0 GGADHM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1cnccn1 ZINC000410017016 565658363 /nfs/dbraw/zinc/65/83/63/565658363.db2.gz CMXSLEJKHXPOCU-UHFFFAOYSA-N -1 3 380.202 3.149 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1cccnc1C(F)(F)F ZINC000329246010 565661029 /nfs/dbraw/zinc/66/10/29/565661029.db2.gz VNNNINGGPPVFHK-GFCCVEGCSA-N -1 3 378.416 3.261 20 0 GGADHM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174883161 565664379 /nfs/dbraw/zinc/66/43/79/565664379.db2.gz WCSXCKADTIPCHD-ZETCQYMHSA-N -1 3 387.230 3.112 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000174887300 565664647 /nfs/dbraw/zinc/66/46/47/565664647.db2.gz PSDDIYLQTSSZJC-UHFFFAOYSA-N -1 3 375.784 3.307 20 0 GGADHM O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cc(F)ccc1[O-] ZINC000174871149 565665236 /nfs/dbraw/zinc/66/52/36/565665236.db2.gz JQKDIBBMVKDNGP-UHFFFAOYSA-N -1 3 377.422 3.483 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc3c(cccc3Cl)s2)cc1S(=O)(=O)N(C)C ZINC000192174077 565665379 /nfs/dbraw/zinc/66/53/79/565665379.db2.gz GOHRVZSVWDOKGU-UHFFFAOYSA-N -1 3 399.881 3.354 20 0 GGADHM CO[C@@](C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1F ZINC000192179138 565665429 /nfs/dbraw/zinc/66/54/29/565665429.db2.gz FQOOIDXKMVQVRQ-QGZVFWFLSA-N -1 3 382.229 3.472 20 0 GGADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])nnn1-c1cccc(Br)c1 ZINC000174894988 565665560 /nfs/dbraw/zinc/66/55/60/565665560.db2.gz WUIGUEBDPOWKTF-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC(C)(C)c2cccc(Cl)c2)c1 ZINC000410127765 565666182 /nfs/dbraw/zinc/66/61/82/565666182.db2.gz OLJPCGAQNWBHNR-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM CN(CC(=O)Nc1cc(F)ccc1[O-])C(=O)c1ccc(Br)s1 ZINC000174901584 565666243 /nfs/dbraw/zinc/66/62/43/565666243.db2.gz MHJTXTOAKMODGQ-UHFFFAOYSA-N -1 3 387.230 3.066 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000174910574 565666349 /nfs/dbraw/zinc/66/63/49/565666349.db2.gz IVNJWVNGSADZBA-ZDUSSCGKSA-N -1 3 380.564 3.246 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1ccc(Cl)c(Br)c1 ZINC000192186575 565667224 /nfs/dbraw/zinc/66/72/24/565667224.db2.gz GRSZNRMOISWRPI-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192189953 565667811 /nfs/dbraw/zinc/66/78/11/565667811.db2.gz XEKUIMIQJCEKJV-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM CCC(C)(C)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000192195921 565668154 /nfs/dbraw/zinc/66/81/54/565668154.db2.gz VGVDWLJYUMZRCA-UHFFFAOYSA-N -1 3 381.325 3.214 20 0 GGADHM CC[C@@H]1C[C@@]1([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1cccc(C)c1 ZINC000410166101 565668180 /nfs/dbraw/zinc/66/81/80/565668180.db2.gz PKWRQYFXWOPFRO-ACJLOTCBSA-N -1 3 379.503 3.447 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1)c1ccco1 ZINC000410158064 565668347 /nfs/dbraw/zinc/66/83/47/565668347.db2.gz ONRNRSGBFFBECH-HNNXBMFYSA-N -1 3 378.475 3.378 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@]12CCCO2 ZINC000329509201 565668811 /nfs/dbraw/zinc/66/88/11/565668811.db2.gz JOZNEOMFSGNWSP-XHSDSOJGSA-N -1 3 394.320 3.139 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000329533733 565670060 /nfs/dbraw/zinc/67/00/60/565670060.db2.gz YEWDUVIXGSVBQE-HNNXBMFYSA-N -1 3 380.539 3.427 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H]2CCO[C@@H]21 ZINC000192214010 565670339 /nfs/dbraw/zinc/67/03/39/565670339.db2.gz QNMZDUQLGYZHJQ-WQAKAFBOSA-N -1 3 394.718 3.194 20 0 GGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192218741 565671868 /nfs/dbraw/zinc/67/18/68/565671868.db2.gz XXQGFAGGDGAOBO-JTQLQIEISA-N -1 3 384.723 3.180 20 0 GGADHM CCC(C)(C)CNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000192225376 565671893 /nfs/dbraw/zinc/67/18/93/565671893.db2.gz OATOSMJMUYUZMX-UHFFFAOYSA-N -1 3 398.244 3.299 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@@H](C)O1 ZINC000192228097 565672578 /nfs/dbraw/zinc/67/25/78/565672578.db2.gz FUCCFGGQSGWDBW-RKDXNWHRSA-N -1 3 382.707 3.337 20 0 GGADHM CSc1ccc([C@H](C)NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000410235902 565672484 /nfs/dbraw/zinc/67/24/84/565672484.db2.gz JTLTXDKNPDSOBK-NSHDSACASA-N -1 3 382.482 3.410 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC2(C1)CCCCC2 ZINC000329587860 565672885 /nfs/dbraw/zinc/67/28/85/565672885.db2.gz SEDMSHHORVWNOY-UHFFFAOYSA-N -1 3 391.320 3.064 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c1 ZINC000175002867 565672866 /nfs/dbraw/zinc/67/28/66/565672866.db2.gz DMXFBILCIHFXLS-MRXNPFEDSA-N -1 3 376.507 3.064 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)s1 ZINC000329639333 565673896 /nfs/dbraw/zinc/67/38/96/565673896.db2.gz WNEFBQIFKRXRKC-JQWIXIFHSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(F)ccc1Br ZINC000175030839 565675916 /nfs/dbraw/zinc/67/59/16/565675916.db2.gz MTXHMGAXOAEYNH-UHFFFAOYSA-N -1 3 396.260 3.207 20 0 GGADHM O=S(=O)(CC12CCC(CC1)C2)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000329722371 565677915 /nfs/dbraw/zinc/67/79/15/565677915.db2.gz FGEAUEXHFDGVSW-UHFFFAOYSA-N -1 3 381.885 3.390 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Cl)cc1Br ZINC000329767605 565679195 /nfs/dbraw/zinc/67/91/95/565679195.db2.gz ZTPCGMULARAELF-RTXFEEFZSA-N -1 3 394.718 3.338 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)ccc1=O ZINC000410365534 565679282 /nfs/dbraw/zinc/67/92/82/565679282.db2.gz LJSMIQLOGAKKKH-UHFFFAOYSA-N -1 3 391.674 3.085 20 0 GGADHM CN1CCC(Nc2ccccc2NC(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000175106779 565680486 /nfs/dbraw/zinc/68/04/86/565680486.db2.gz UMHYIMWOIRHUAH-UHFFFAOYSA-N -1 3 395.579 3.438 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCCc4sccc43)cnc2c1Cl ZINC000329797998 565680557 /nfs/dbraw/zinc/68/05/57/565680557.db2.gz GDQPNPAKDGWPMW-GFCCVEGCSA-N -1 3 382.898 3.109 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)s1 ZINC000329780590 565681171 /nfs/dbraw/zinc/68/11/71/565681171.db2.gz MSWANMFLGRJGAU-INIZCTEOSA-N -1 3 378.519 3.132 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c1 ZINC000410389685 565682538 /nfs/dbraw/zinc/68/25/38/565682538.db2.gz CNTCVOGBRSHXBX-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280596631 565682716 /nfs/dbraw/zinc/68/27/16/565682716.db2.gz OTIVLZNYFGZLOB-UHFFFAOYSA-N -1 3 380.272 3.396 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(C)(C)C ZINC000175157078 565682737 /nfs/dbraw/zinc/68/27/37/565682737.db2.gz AWZFZAKZMKBGPP-QGZVFWFLSA-N -1 3 380.535 3.238 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)s1 ZINC000410401347 565683143 /nfs/dbraw/zinc/68/31/43/565683143.db2.gz FCHLDBGSIBOZIQ-UHFFFAOYSA-N -1 3 398.560 3.170 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2cccc(F)c2)c1 ZINC000175198250 565683998 /nfs/dbraw/zinc/68/39/98/565683998.db2.gz RGWSNPTVMBWZTA-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410417399 565684380 /nfs/dbraw/zinc/68/43/80/565684380.db2.gz HKVCBLQAOPUHMO-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(Cl)ccc1OCC1CCC1 ZINC000329902069 565684400 /nfs/dbraw/zinc/68/44/00/565684400.db2.gz PCUCNOKDSHDPLH-UXLLHSPISA-N -1 3 385.913 3.365 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)c1 ZINC000175209815 565684638 /nfs/dbraw/zinc/68/46/38/565684638.db2.gz IUZGIBITZWAQIR-ZDUSSCGKSA-N -1 3 386.267 3.407 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1[C@@H](C)O ZINC000280637972 565685689 /nfs/dbraw/zinc/68/56/89/565685689.db2.gz UOOIXADMPSRCJB-SECBINFHSA-N -1 3 393.267 3.368 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)c1 ZINC000175215802 565686269 /nfs/dbraw/zinc/68/62/69/565686269.db2.gz YMWMYJZYPUSQNQ-JTQLQIEISA-N -1 3 390.324 3.429 20 0 GGADHM C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000329979814 565688418 /nfs/dbraw/zinc/68/84/18/565688418.db2.gz KHJSKESQKYIXTI-NSHDSACASA-N -1 3 396.310 3.130 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(CC3CC3)CC2)c1 ZINC000280681874 565688400 /nfs/dbraw/zinc/68/84/00/565688400.db2.gz INFZDJZXPUDNHM-UHFFFAOYSA-N -1 3 384.929 3.085 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ncc(Br)s1 ZINC000192435592 565691826 /nfs/dbraw/zinc/69/18/26/565691826.db2.gz MYVLYOXXWLQDFA-UHFFFAOYSA-N -1 3 392.072 3.304 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Br)c2C)sc1C ZINC000175318063 565692927 /nfs/dbraw/zinc/69/29/27/565692927.db2.gz LFKQIODYALRBML-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM Cc1nc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)sc1C ZINC000175342760 565694120 /nfs/dbraw/zinc/69/41/20/565694120.db2.gz GPQKWKKGPSDYTK-UHFFFAOYSA-N -1 3 392.278 3.294 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4nc(C)sc4c3)CCCC2)no1 ZINC000330202770 565696783 /nfs/dbraw/zinc/69/67/83/565696783.db2.gz ZTAWPTOFKLKZEE-UHFFFAOYSA-N -1 3 378.479 3.044 20 0 GGADHM O=S(=O)([N-]C1CCN(CCSCc2ccccc2)CC1)c1cccs1 ZINC000192527249 565696805 /nfs/dbraw/zinc/69/68/05/565696805.db2.gz JTURTJVXNCDCQD-UHFFFAOYSA-N -1 3 396.603 3.424 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1ccc(F)cc1Br ZINC000175400785 565696987 /nfs/dbraw/zinc/69/69/87/565696987.db2.gz WOFNPAQTTKNVST-UHFFFAOYSA-N -1 3 388.258 3.083 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(Cl)c1Br ZINC000330211908 565697082 /nfs/dbraw/zinc/69/70/82/565697082.db2.gz JPKFJLIFBSFWJM-MVWJERBFSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cncc(Br)c1 ZINC000330191321 565697230 /nfs/dbraw/zinc/69/72/30/565697230.db2.gz WYJCBWDNEBNDAR-CYBMUJFWSA-N -1 3 389.315 3.004 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1ccc(Br)cn1 ZINC000330191953 565697413 /nfs/dbraw/zinc/69/74/13/565697413.db2.gz XLDVQYUXPPDOJD-ZDUSSCGKSA-N -1 3 389.315 3.004 20 0 GGADHM CC(C)OCCN1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000175450425 565700718 /nfs/dbraw/zinc/70/07/18/565700718.db2.gz ZNNXOGJCAZEZBD-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000192582079 565700890 /nfs/dbraw/zinc/70/08/90/565700890.db2.gz FCSYPEHZBHNYCF-UHFFFAOYSA-N -1 3 384.860 3.100 20 0 GGADHM CC(C)OCCN1CCC([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000175450046 565700910 /nfs/dbraw/zinc/70/09/10/565700910.db2.gz NFCSGHHVCHJUDU-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM CC(C)OCCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000175451277 565701047 /nfs/dbraw/zinc/70/10/47/565701047.db2.gz IKFUNLQLHXVART-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(c2ccc(Br)cc2)CC1 ZINC000175475388 565701923 /nfs/dbraw/zinc/70/19/23/565701923.db2.gz NVXOHYCVTKTFNF-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(c2ccc(Br)cc2)CC1 ZINC000175475388 565701928 /nfs/dbraw/zinc/70/19/28/565701928.db2.gz NVXOHYCVTKTFNF-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(c2ccc(Br)cc2)CC1 ZINC000175475388 565701933 /nfs/dbraw/zinc/70/19/33/565701933.db2.gz NVXOHYCVTKTFNF-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1ccc(Cl)cc1Br ZINC000280932039 565703258 /nfs/dbraw/zinc/70/32/58/565703258.db2.gz ASNKRPOQBZICDQ-UHFFFAOYSA-N -1 3 393.734 3.008 20 0 GGADHM C[C@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(Cl)s1 ZINC000175527615 565704968 /nfs/dbraw/zinc/70/49/68/565704968.db2.gz SATLKZNFUPHDAD-XYZCENFISA-N -1 3 377.853 3.198 20 0 GGADHM CSc1nsc([N-]C(=O)c2ccn(-c3cccc(Br)c3)n2)n1 ZINC000175527821 565705139 /nfs/dbraw/zinc/70/51/39/565705139.db2.gz WWRSDHJENFULHZ-UHFFFAOYSA-N -1 3 396.295 3.461 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000192719183 565706214 /nfs/dbraw/zinc/70/62/14/565706214.db2.gz GZGSPDLPZSGYQF-UHFFFAOYSA-N -1 3 388.898 3.293 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000280990744 565706377 /nfs/dbraw/zinc/70/63/77/565706377.db2.gz NEDWPIALFZVJRI-CTYIDZIISA-N -1 3 398.937 3.262 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@@H]1C ZINC000330440490 565706838 /nfs/dbraw/zinc/70/68/38/565706838.db2.gz OPGLTMBKTJZSGA-QWRGUYRKSA-N -1 3 379.309 3.061 20 0 GGADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000192732295 565707476 /nfs/dbraw/zinc/70/74/76/565707476.db2.gz AYFGJMWYOBADQK-UHFFFAOYSA-N -1 3 396.749 3.398 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000192739980 565708097 /nfs/dbraw/zinc/70/80/97/565708097.db2.gz UAIZGOCJILUEOJ-VIFPVBQESA-N -1 3 375.853 3.340 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000192739997 565708126 /nfs/dbraw/zinc/70/81/26/565708126.db2.gz UAIZGOCJILUEOJ-SECBINFHSA-N -1 3 375.853 3.340 20 0 GGADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411105976 565711426 /nfs/dbraw/zinc/71/14/26/565711426.db2.gz ZTEXLQKBAWVLKW-UHFFFAOYSA-N -1 3 388.280 3.027 20 0 GGADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411105976 565711431 /nfs/dbraw/zinc/71/14/31/565711431.db2.gz ZTEXLQKBAWVLKW-UHFFFAOYSA-N -1 3 388.280 3.027 20 0 GGADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411105976 565711435 /nfs/dbraw/zinc/71/14/35/565711435.db2.gz ZTEXLQKBAWVLKW-UHFFFAOYSA-N -1 3 388.280 3.027 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ncc(C)s2)cc1Cl ZINC000175628061 565712295 /nfs/dbraw/zinc/71/22/95/565712295.db2.gz GMAKSUWWBNJSCK-MRVPVSSYSA-N -1 3 391.877 3.242 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ncc(C)s2)c1 ZINC000175623361 565712599 /nfs/dbraw/zinc/71/25/99/565712599.db2.gz SXCUYOMCIIEESX-VIFPVBQESA-N -1 3 391.312 3.262 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2c(F)cccc2SC)s1 ZINC000281130154 565712841 /nfs/dbraw/zinc/71/28/41/565712841.db2.gz YOXWNRIWQNGDOQ-UHFFFAOYSA-N -1 3 387.483 3.307 20 0 GGADHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1c(F)cccc1Cl ZINC000175692270 565717070 /nfs/dbraw/zinc/71/70/70/565717070.db2.gz GIBTXPBHDXAUFA-JTQLQIEISA-N -1 3 390.889 3.086 20 0 GGADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)CCO1 ZINC000330724433 565720408 /nfs/dbraw/zinc/72/04/08/565720408.db2.gz DFKBELJIXHSBMI-UONOGXRCSA-N -1 3 391.331 3.106 20 0 GGADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)CCO1 ZINC000330724432 565720438 /nfs/dbraw/zinc/72/04/38/565720438.db2.gz DFKBELJIXHSBMI-KGLIPLIRSA-N -1 3 391.331 3.106 20 0 GGADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)CCO1 ZINC000330742519 565721758 /nfs/dbraw/zinc/72/17/58/565721758.db2.gz QPTHESZOQNTBGD-DZGCQCFKSA-N -1 3 391.331 3.106 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1Cl ZINC000192979995 565722080 /nfs/dbraw/zinc/72/20/80/565722080.db2.gz YGXWTRBFICZENA-HNNXBMFYSA-N -1 3 382.888 3.280 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000281300639 565723224 /nfs/dbraw/zinc/72/32/24/565723224.db2.gz RBCCCFCFAQYICG-XCBNKYQSSA-N -1 3 378.713 3.332 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000281300639 565723227 /nfs/dbraw/zinc/72/32/27/565723227.db2.gz RBCCCFCFAQYICG-XCBNKYQSSA-N -1 3 378.713 3.332 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000330882283 565727451 /nfs/dbraw/zinc/72/74/51/565727451.db2.gz ZHWAAGSPRDVUBF-UHFFFAOYSA-N -1 3 391.333 3.404 20 0 GGADHM C[C@H](CNC(=O)C(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F)C(F)(F)F ZINC000411385461 565727683 /nfs/dbraw/zinc/72/76/83/565727683.db2.gz XIZGKLQXBZZMTJ-GMSGAONNSA-N -1 3 390.711 3.374 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000175887466 565730687 /nfs/dbraw/zinc/73/06/87/565730687.db2.gz NNJDBRSFBGPWQN-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000193112284 565733391 /nfs/dbraw/zinc/73/33/91/565733391.db2.gz JISDEWWTZUCYKD-ZETCQYMHSA-N -1 3 376.194 3.245 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C1CCOCC1 ZINC000330978837 565733788 /nfs/dbraw/zinc/73/37/88/565733788.db2.gz IFLIWVVFFHWGBS-LLVKDONJSA-N -1 3 382.309 3.486 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000281546088 565735637 /nfs/dbraw/zinc/73/56/37/565735637.db2.gz SLIMDHNEWWCADD-SNVBAGLBSA-N -1 3 384.889 3.214 20 0 GGADHM CC[C@]1(C)NC(=O)N([N-]C(=O)CCCc2cc(Cl)sc2Cl)C1=O ZINC000193157905 565735652 /nfs/dbraw/zinc/73/56/52/565735652.db2.gz VWNJMAVNLHZMBY-AWEZNQCLSA-N -1 3 378.281 3.129 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000331037801 565736755 /nfs/dbraw/zinc/73/67/55/565736755.db2.gz ARHVFVIEAXJEJW-UPJWGTAASA-N -1 3 388.555 3.153 20 0 GGADHM CSCCON=C([O-])Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000281585012 565737471 /nfs/dbraw/zinc/73/74/71/565737471.db2.gz ZXEBUIIWTOSQOM-UHFFFAOYSA-N -1 3 386.539 3.350 20 0 GGADHM CSCCO[N-]C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000281585012 565737476 /nfs/dbraw/zinc/73/74/76/565737476.db2.gz ZXEBUIIWTOSQOM-UHFFFAOYSA-N -1 3 386.539 3.350 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(-c3cccs3)on2)ccc1F ZINC000193236875 565739790 /nfs/dbraw/zinc/73/97/90/565739790.db2.gz IWOJRSOKZTXWJP-UHFFFAOYSA-N -1 3 381.410 3.166 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1F ZINC000193236191 565739984 /nfs/dbraw/zinc/73/99/84/565739984.db2.gz HKPWWRXFEJZLAZ-UHFFFAOYSA-N -1 3 390.408 3.206 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCSc2ccccc2F)ccc1F ZINC000193236492 565740348 /nfs/dbraw/zinc/74/03/48/565740348.db2.gz JBNZNGKAJRDJLI-UHFFFAOYSA-N -1 3 386.445 3.457 20 0 GGADHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)[N-]c1nnc(C)n1C ZINC000281683580 565742695 /nfs/dbraw/zinc/74/26/95/565742695.db2.gz UVOYJHFINBHBJQ-UHFFFAOYSA-N -1 3 390.241 3.356 20 0 GGADHM Cc1ccccc1CN1CCC(NC(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000176042883 565743296 /nfs/dbraw/zinc/74/32/96/565743296.db2.gz ZKGZGBIDWGCJMY-UHFFFAOYSA-N -1 3 394.591 3.382 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cs1 ZINC000331171595 565743288 /nfs/dbraw/zinc/74/32/88/565743288.db2.gz OHZKFRQNJYPHKM-MWLCHTKSSA-N -1 3 385.429 3.182 20 0 GGADHM CC[C@@H]1C[C@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000281709603 565743796 /nfs/dbraw/zinc/74/37/96/565743796.db2.gz DHMSRNWDGXUNPK-AMIZOPFISA-N -1 3 382.201 3.073 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2cccc(Cl)c2)C(C)C)c(C)o1 ZINC000176070481 565745642 /nfs/dbraw/zinc/74/56/42/565745642.db2.gz GYNMYGZQTUIQBU-UHFFFAOYSA-N -1 3 384.885 3.200 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000331197637 565745822 /nfs/dbraw/zinc/74/58/22/565745822.db2.gz ZQRDTTRUINJTRF-DGCLKSJQSA-N -1 3 381.416 3.351 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000331218445 565746767 /nfs/dbraw/zinc/74/67/67/565746767.db2.gz XETTYXJITSVVET-WFASDCNBSA-N -1 3 377.503 3.186 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCOCC1 ZINC000331254575 565749287 /nfs/dbraw/zinc/74/92/87/565749287.db2.gz XESUCUPZBPYLGM-ZDUSSCGKSA-N -1 3 380.279 3.072 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2cncs2)ccc1F ZINC000281812710 565749357 /nfs/dbraw/zinc/74/93/57/565749357.db2.gz WGMBFFHQVHJUSN-FNORWQNLSA-N -1 3 383.470 3.011 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000331292301 565753169 /nfs/dbraw/zinc/75/31/69/565753169.db2.gz WUSUPRFCIPEFRS-GHMZBOCLSA-N -1 3 399.456 3.490 20 0 GGADHM C[C@@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(Cl)s1 ZINC000176147725 565753293 /nfs/dbraw/zinc/75/32/93/565753293.db2.gz HAKQKKBCGUHGEG-GFCCVEGCSA-N -1 3 378.881 3.195 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1sccc1Br ZINC000176149290 565753497 /nfs/dbraw/zinc/75/34/97/565753497.db2.gz XKSNEKLOXTWFAR-UHFFFAOYSA-N -1 3 384.299 3.130 20 0 GGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000193502542 565755958 /nfs/dbraw/zinc/75/59/58/565755958.db2.gz LUPIXCJDCMALGV-LBPRGKRZSA-N -1 3 382.482 3.458 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000176187273 565756393 /nfs/dbraw/zinc/75/63/93/565756393.db2.gz NHGDXENTXDJLTC-GFCCVEGCSA-N -1 3 396.285 3.021 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000281967007 565757377 /nfs/dbraw/zinc/75/73/77/565757377.db2.gz LFEHIYDXXJKZNF-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000176205644 565757594 /nfs/dbraw/zinc/75/75/94/565757594.db2.gz ZPPANLXNZKYYRW-UHFFFAOYSA-N -1 3 393.881 3.224 20 0 GGADHM Cc1noc([N-]C(=O)[C@H](C)Oc2ccc(I)cc2)c1C ZINC000282014147 565760389 /nfs/dbraw/zinc/76/03/89/565760389.db2.gz OQRNSFJFRRHMMU-JTQLQIEISA-N -1 3 386.189 3.302 20 0 GGADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000176293119 565763561 /nfs/dbraw/zinc/76/35/61/565763561.db2.gz VERATINYVXWYGC-UHFFFAOYSA-N -1 3 385.486 3.413 20 0 GGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1C ZINC000282077235 565763600 /nfs/dbraw/zinc/76/36/00/565763600.db2.gz VYIDHEILJKFFFY-UHFFFAOYSA-N -1 3 385.482 3.096 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282121683 565765637 /nfs/dbraw/zinc/76/56/37/565765637.db2.gz ZVNJBACUUDAGBL-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM O=c1nc(Cn2ncc(Cl)c(Cl)c2=O)[n-]c2scc(-c3ccco3)c21 ZINC000193693933 565770212 /nfs/dbraw/zinc/77/02/12/565770212.db2.gz LFXNSDWSKGQPOC-UHFFFAOYSA-N -1 3 395.227 3.156 20 0 GGADHM CC(=O)N1CCc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc21 ZINC000176430919 565771239 /nfs/dbraw/zinc/77/12/39/565771239.db2.gz URKJCPWNBYCSAZ-UHFFFAOYSA-N -1 3 375.222 3.316 20 0 GGADHM O=C(CCc1nc(-c2ccccn2)no1)Nc1cc(Br)ccc1[O-] ZINC000176430055 565771261 /nfs/dbraw/zinc/77/12/61/565771261.db2.gz GRJRNNYRKNSHQY-UHFFFAOYSA-N -1 3 389.209 3.171 20 0 GGADHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1cc(Br)ccc1[O-] ZINC000176432281 565771564 /nfs/dbraw/zinc/77/15/64/565771564.db2.gz IQANYTHJXGWQOG-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1cc(Br)ccc1[O-])C2 ZINC000176438360 565771626 /nfs/dbraw/zinc/77/16/26/565771626.db2.gz CABDHXOZUCQXRD-NSHDSACASA-N -1 3 378.222 3.353 20 0 GGADHM CC(C)(C)CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000282243892 565771910 /nfs/dbraw/zinc/77/19/10/565771910.db2.gz SCDGHJPGEHQLJE-UHFFFAOYSA-N -1 3 388.917 3.072 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)s1 ZINC000282287750 565772795 /nfs/dbraw/zinc/77/27/95/565772795.db2.gz LDVBYWMPVKOMFN-GFCCVEGCSA-N -1 3 394.356 3.447 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)s1 ZINC000282287757 565773060 /nfs/dbraw/zinc/77/30/60/565773060.db2.gz LDVBYWMPVKOMFN-LBPRGKRZSA-N -1 3 394.356 3.447 20 0 GGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ncccc2Br)[n-]1 ZINC000193751266 565773918 /nfs/dbraw/zinc/77/39/18/565773918.db2.gz JYMWNWRKHIYVFW-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)c2ncccc2Br)c(C(=O)OCC)[n-]1 ZINC000193751266 565773925 /nfs/dbraw/zinc/77/39/25/565773925.db2.gz JYMWNWRKHIYVFW-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2csc(C3CCCCC3)n2)s1 ZINC000412204319 565775099 /nfs/dbraw/zinc/77/50/99/565775099.db2.gz IHBFTPVLVYXDSZ-UHFFFAOYSA-N -1 3 380.495 3.400 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000176469956 565775998 /nfs/dbraw/zinc/77/59/98/565775998.db2.gz HNMLDLAKJBBEBV-XMMPIXPASA-N -1 3 381.519 3.161 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2cnc(C(C)=O)s2)nc1C1CCCC1 ZINC000412254383 565776935 /nfs/dbraw/zinc/77/69/35/565776935.db2.gz NLVBBZRNTUQQIC-UHFFFAOYSA-N -1 3 379.463 3.499 20 0 GGADHM C[C@H]1CCN(C(=O)CSc2n[n-]c(=S)s2)CCN1Cc1ccccc1 ZINC000176491229 565777331 /nfs/dbraw/zinc/77/73/31/565777331.db2.gz WJNNNUZGQAWLHS-ZDUSSCGKSA-N -1 3 394.591 3.416 20 0 GGADHM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000412275853 565777840 /nfs/dbraw/zinc/77/78/40/565777840.db2.gz TUDXHWFACFOTQP-DTWKUNHWSA-N -1 3 383.235 3.306 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCc4nn(C)cc43)s2)cs1 ZINC000282434267 565778758 /nfs/dbraw/zinc/77/87/58/565778758.db2.gz FTCSBKKUEBKYTL-CYBMUJFWSA-N -1 3 394.547 3.269 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000193890213 565781310 /nfs/dbraw/zinc/78/13/10/565781310.db2.gz ZVRMYHJIBNXWRI-VIFPVBQESA-N -1 3 391.242 3.156 20 0 GGADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412343956 565782172 /nfs/dbraw/zinc/78/21/72/565782172.db2.gz WSHRTDHRGMFHQP-QMMMGPOBSA-N -1 3 392.175 3.310 20 0 GGADHM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)N=c1[nH][n-]cc1Br ZINC000412336574 565782808 /nfs/dbraw/zinc/78/28/08/565782808.db2.gz KAKSXJSOYTZSGO-UHFFFAOYSA-N -1 3 393.163 3.047 20 0 GGADHM CCCCOc1ccc(C(=O)N=c2[nH][n-]cc2Br)cc1OCC ZINC000412344244 565782891 /nfs/dbraw/zinc/78/28/91/565782891.db2.gz IVMMHFALGYDBNM-UHFFFAOYSA-N -1 3 382.258 3.424 20 0 GGADHM O=C(Nc1cn[nH]c1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000193941893 565784615 /nfs/dbraw/zinc/78/46/15/565784615.db2.gz SOOJOMWBLYUBGO-UHFFFAOYSA-N -1 3 376.825 3.116 20 0 GGADHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3cnc(C(C)=O)s3)nc21 ZINC000412361226 565784749 /nfs/dbraw/zinc/78/47/49/565784749.db2.gz KTBBRBKHVBCUNO-SECBINFHSA-N -1 3 379.463 3.038 20 0 GGADHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000331883016 565789461 /nfs/dbraw/zinc/78/94/61/565789461.db2.gz HVNRKJXKGASJAX-ZCPGHIKRSA-N -1 3 396.325 3.485 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282623252 565789780 /nfs/dbraw/zinc/78/97/80/565789780.db2.gz MRCLQCQNKKKOPU-OAHLLOKOSA-N -1 3 381.885 3.022 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CCOCC1 ZINC000282653863 565790595 /nfs/dbraw/zinc/79/05/95/565790595.db2.gz PKJGSQPRXROGQC-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM CCc1ccc(C(C)(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000176656086 565791204 /nfs/dbraw/zinc/79/12/04/565791204.db2.gz HXWSQPJAJZVAIZ-CYBMUJFWSA-N -1 3 380.535 3.029 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000176657654 565792039 /nfs/dbraw/zinc/79/20/39/565792039.db2.gz HCVMBJGSQLOKMH-WCQYABFASA-N -1 3 380.539 3.190 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2cccc(Br)c2Cl)c(=O)[n-]1 ZINC000412489552 565792185 /nfs/dbraw/zinc/79/21/85/565792185.db2.gz OCTWESAWSULTQF-UHFFFAOYSA-N -1 3 398.688 3.464 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)cc1Cl ZINC000194073439 565793126 /nfs/dbraw/zinc/79/31/26/565793126.db2.gz KLZCIYDHJVYCKF-UHFFFAOYSA-N -1 3 387.288 3.407 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1Br ZINC000282778940 565795938 /nfs/dbraw/zinc/79/59/38/565795938.db2.gz XZYDZAZKPLDYSD-WCQYABFASA-N -1 3 394.718 3.338 20 0 GGADHM COC[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000331967816 565796106 /nfs/dbraw/zinc/79/61/06/565796106.db2.gz KKDFGYJCRSXOSJ-VIFPVBQESA-N -1 3 399.672 3.053 20 0 GGADHM COC[C@H]1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000331967816 565796111 /nfs/dbraw/zinc/79/61/11/565796111.db2.gz KKDFGYJCRSXOSJ-VIFPVBQESA-N -1 3 399.672 3.053 20 0 GGADHM CCOc1cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc(Br)c1[O-] ZINC000331975662 565797575 /nfs/dbraw/zinc/79/75/75/565797575.db2.gz XGXHTRNJMOQIEB-UKRRQHHQSA-N -1 3 397.313 3.044 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000176727960 565798607 /nfs/dbraw/zinc/79/86/07/565798607.db2.gz FSDFRHPGDCALLL-UHFFFAOYSA-N -1 3 395.836 3.131 20 0 GGADHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000282857669 565800624 /nfs/dbraw/zinc/80/06/24/565800624.db2.gz YDASHFSLJHOATK-CYBMUJFWSA-N -1 3 378.256 3.222 20 0 GGADHM CSC[C@@H]1CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332025912 565801077 /nfs/dbraw/zinc/80/10/77/565801077.db2.gz TZHZIQBYMFWAAA-NSHDSACASA-N -1 3 381.295 3.258 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)C2(C)CC2)cc1 ZINC000176786099 565802902 /nfs/dbraw/zinc/80/29/02/565802902.db2.gz LCHPWLJKXAFRGQ-CQSZACIVSA-N -1 3 388.555 3.038 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)c(Cl)c1Cl ZINC000332098984 565805872 /nfs/dbraw/zinc/80/58/72/565805872.db2.gz AOEUGQLKGILUFH-AWEZNQCLSA-N -1 3 382.309 3.077 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000332097803 565806149 /nfs/dbraw/zinc/80/61/49/565806149.db2.gz BGAPVPVHFCJEKS-UHFFFAOYSA-N -1 3 394.184 3.398 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000332097803 565806154 /nfs/dbraw/zinc/80/61/54/565806154.db2.gz BGAPVPVHFCJEKS-UHFFFAOYSA-N -1 3 394.184 3.398 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000332097803 565806159 /nfs/dbraw/zinc/80/61/59/565806159.db2.gz BGAPVPVHFCJEKS-UHFFFAOYSA-N -1 3 394.184 3.398 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCCO1 ZINC000332128905 565808846 /nfs/dbraw/zinc/80/88/46/565808846.db2.gz JBJHXYNBQCHFEE-AMIZOPFISA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@H]1CCCO1 ZINC000332128905 565808851 /nfs/dbraw/zinc/80/88/51/565808851.db2.gz JBJHXYNBQCHFEE-AMIZOPFISA-N -1 3 399.672 3.241 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000176848793 565808940 /nfs/dbraw/zinc/80/89/40/565808940.db2.gz GLDFUDMFWJPTLR-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000176870068 565810866 /nfs/dbraw/zinc/81/08/66/565810866.db2.gz AEPKGAUOVHOMAP-SECBINFHSA-N -1 3 390.939 3.429 20 0 GGADHM CN(C[C@H]1CCOC1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332166046 565812175 /nfs/dbraw/zinc/81/21/75/565812175.db2.gz RCXGNRDOFDPTIQ-SECBINFHSA-N -1 3 399.672 3.053 20 0 GGADHM CN(C[C@H]1CCOC1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332166046 565812179 /nfs/dbraw/zinc/81/21/79/565812179.db2.gz RCXGNRDOFDPTIQ-SECBINFHSA-N -1 3 399.672 3.053 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)sc2C1 ZINC000332173817 565812942 /nfs/dbraw/zinc/81/29/42/565812942.db2.gz CKSVVZDDLUGUHL-VIFPVBQESA-N -1 3 383.470 3.031 20 0 GGADHM O=S(=O)([N-]CCCOC[C@H]1CCOC1)c1cc2cc(Cl)ccc2s1 ZINC000176935074 565816168 /nfs/dbraw/zinc/81/61/68/565816168.db2.gz DTVZYNOYRWURBR-GFCCVEGCSA-N -1 3 389.926 3.276 20 0 GGADHM O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1cc(C(F)(F)F)ccc1Cl ZINC000332246015 565821386 /nfs/dbraw/zinc/82/13/86/565821386.db2.gz AQGBZRGJWNHJKD-UHFFFAOYSA-N -1 3 393.818 3.370 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)N1CCCCC1=O ZINC000194597010 565825896 /nfs/dbraw/zinc/82/58/96/565825896.db2.gz QRPBPSVEUNABOV-LLVKDONJSA-N -1 3 386.926 3.234 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)s1 ZINC000177086936 565827481 /nfs/dbraw/zinc/82/74/81/565827481.db2.gz YEVNHUMLDHPFNP-UHFFFAOYSA-N -1 3 397.591 3.152 20 0 GGADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000194624987 565827632 /nfs/dbraw/zinc/82/76/32/565827632.db2.gz ADHSEMMAEKLDBT-UHFFFAOYSA-N -1 3 380.832 3.310 20 0 GGADHM CCN1CCC(NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CC1 ZINC000332311258 565827893 /nfs/dbraw/zinc/82/78/93/565827893.db2.gz JVABMRCTQNQPTC-UHFFFAOYSA-N -1 3 383.880 3.025 20 0 GGADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000194653654 565828731 /nfs/dbraw/zinc/82/87/31/565828731.db2.gz AGYJPIMNLVKDHS-UHFFFAOYSA-N -1 3 397.294 3.260 20 0 GGADHM Cn1cnnc1-c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cc1 ZINC000194645948 565828801 /nfs/dbraw/zinc/82/88/01/565828801.db2.gz RKNNOBIOEFSFDG-UHFFFAOYSA-N -1 3 380.832 3.217 20 0 GGADHM CCOCCCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000283756051 565829504 /nfs/dbraw/zinc/82/95/04/565829504.db2.gz ASSACKNMLLUYET-UHFFFAOYSA-N -1 3 378.230 3.253 20 0 GGADHM CCOCCCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000283756051 565829509 /nfs/dbraw/zinc/82/95/09/565829509.db2.gz ASSACKNMLLUYET-UHFFFAOYSA-N -1 3 378.230 3.253 20 0 GGADHM CCOCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000283756051 565829511 /nfs/dbraw/zinc/82/95/11/565829511.db2.gz ASSACKNMLLUYET-UHFFFAOYSA-N -1 3 378.230 3.253 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2Br)CC1 ZINC000177179688 565833146 /nfs/dbraw/zinc/83/31/46/565833146.db2.gz JUNOKLBCPQNAFO-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM O=S(=O)([N-]Cc1ccccn1)c1cc(C(F)(F)F)ccc1Br ZINC000194760163 565835203 /nfs/dbraw/zinc/83/52/03/565835203.db2.gz BOSOHPAWBAFDIW-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc([C@@H]4CCCOC4)n3)[n-]2)c1 ZINC000283933040 565835866 /nfs/dbraw/zinc/83/58/66/565835866.db2.gz NHFKDXCJNMXWEW-SNVBAGLBSA-N -1 3 376.214 3.178 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@@H]4CCCOC4)n3)n2)c1 ZINC000283933040 565835870 /nfs/dbraw/zinc/83/58/70/565835870.db2.gz NHFKDXCJNMXWEW-SNVBAGLBSA-N -1 3 376.214 3.178 20 0 GGADHM Brc1cccc(-c2nc(-c3noc([C@@H]4CCCOC4)n3)n[n-]2)c1 ZINC000283933040 565835877 /nfs/dbraw/zinc/83/58/77/565835877.db2.gz NHFKDXCJNMXWEW-SNVBAGLBSA-N -1 3 376.214 3.178 20 0 GGADHM COCC[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194773514 565835978 /nfs/dbraw/zinc/83/59/78/565835978.db2.gz OHRGNIAFXTWAEW-QMMMGPOBSA-N -1 3 390.221 3.171 20 0 GGADHM COCC(C)(C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194774712 565836055 /nfs/dbraw/zinc/83/60/55/565836055.db2.gz WLRUGHLTGSOIAJ-UHFFFAOYSA-N -1 3 390.221 3.171 20 0 GGADHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194796620 565838784 /nfs/dbraw/zinc/83/87/84/565838784.db2.gz LJTRTVSEDDMTII-SSDOTTSWSA-N -1 3 392.262 3.498 20 0 GGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000284086049 565841082 /nfs/dbraw/zinc/84/10/82/565841082.db2.gz AKWZHHQWNMJHDH-UHFFFAOYSA-N -1 3 394.678 3.008 20 0 GGADHM O=C(NC[C@@H]1CCCCO1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332501387 565841477 /nfs/dbraw/zinc/84/14/77/565841477.db2.gz RHHGUEQJQLOMQM-JTQLQIEISA-N -1 3 399.672 3.243 20 0 GGADHM O=C(NC[C@@H]1CCCCO1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332501387 565841480 /nfs/dbraw/zinc/84/14/80/565841480.db2.gz RHHGUEQJQLOMQM-JTQLQIEISA-N -1 3 399.672 3.243 20 0 GGADHM COCC1(C)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000332520547 565841694 /nfs/dbraw/zinc/84/16/94/565841694.db2.gz PHXFBVCWZRWAJI-UHFFFAOYSA-N -1 3 393.281 3.179 20 0 GGADHM CCCOc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000194846593 565841856 /nfs/dbraw/zinc/84/18/56/565841856.db2.gz KGKJTKKVVGJVHD-UHFFFAOYSA-N -1 3 388.898 3.107 20 0 GGADHM COCCC1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CC1 ZINC000284097944 565842277 /nfs/dbraw/zinc/84/22/77/565842277.db2.gz WAABUPATWYELLI-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM COCCC1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CC1 ZINC000284097944 565842283 /nfs/dbraw/zinc/84/22/83/565842283.db2.gz WAABUPATWYELLI-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM COCCC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000284097944 565842288 /nfs/dbraw/zinc/84/22/88/565842288.db2.gz WAABUPATWYELLI-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM CC[C@@H]1COCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332532759 565842532 /nfs/dbraw/zinc/84/25/32/565842532.db2.gz WJYIZZXPRYMWHK-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM CC[C@@H]1COCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332532759 565842534 /nfs/dbraw/zinc/84/25/34/565842534.db2.gz WJYIZZXPRYMWHK-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332524492 565843141 /nfs/dbraw/zinc/84/31/41/565843141.db2.gz RFXCSTMTQURLCT-VHSXEESVSA-N -1 3 392.253 3.067 20 0 GGADHM CC[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000332540613 565844269 /nfs/dbraw/zinc/84/42/69/565844269.db2.gz XKEMITXPLKHKDV-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM CC[C@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCO1 ZINC000332540613 565844272 /nfs/dbraw/zinc/84/42/72/565844272.db2.gz XKEMITXPLKHKDV-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(Br)cs2)c1 ZINC000194888115 565845278 /nfs/dbraw/zinc/84/52/78/565845278.db2.gz NVKCVGSNXDGGFR-UHFFFAOYSA-N -1 3 378.244 3.306 20 0 GGADHM C[C@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000332597661 565846129 /nfs/dbraw/zinc/84/61/29/565846129.db2.gz MJMWCTVYQZZOLF-WCBMZHEXSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]1C[C@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCO1 ZINC000332597661 565846131 /nfs/dbraw/zinc/84/61/31/565846131.db2.gz MJMWCTVYQZZOLF-WCBMZHEXSA-N -1 3 399.672 3.241 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000332624743 565848728 /nfs/dbraw/zinc/84/87/28/565848728.db2.gz RXXPQAUWZFCZDS-OLZOCXBDSA-N -1 3 386.514 3.053 20 0 GGADHM COCc1ncsc1C(=O)[N-]c1nc(C2CCCC2)c(C(=O)OC)s1 ZINC000284300974 565849313 /nfs/dbraw/zinc/84/93/13/565849313.db2.gz UIEVYFMCZQHDMG-UHFFFAOYSA-N -1 3 381.479 3.443 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3Cc4cc(Br)ccc4O3)[n-]2)o1 ZINC000194934407 565849731 /nfs/dbraw/zinc/84/97/31/565849731.db2.gz QVIDERBMOVZBCP-CYBMUJFWSA-N -1 3 389.209 3.078 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3Cc4cc(Br)ccc4O3)n2)o1 ZINC000194934407 565849734 /nfs/dbraw/zinc/84/97/34/565849734.db2.gz QVIDERBMOVZBCP-CYBMUJFWSA-N -1 3 389.209 3.078 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3Cc4cc(Br)ccc4O3)n[n-]2)o1 ZINC000194934407 565849739 /nfs/dbraw/zinc/84/97/39/565849739.db2.gz QVIDERBMOVZBCP-CYBMUJFWSA-N -1 3 389.209 3.078 20 0 GGADHM COc1ccc(N[C@H](C)c2cnc(OC)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000284381174 565851812 /nfs/dbraw/zinc/85/18/12/565851812.db2.gz OSVGTXREWKVTAW-SNVBAGLBSA-N -1 3 385.873 3.297 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(Br)cs2)ccc1F ZINC000195007490 565853308 /nfs/dbraw/zinc/85/33/08/565853308.db2.gz QYVNBFPBYQOPPN-UHFFFAOYSA-N -1 3 393.259 3.274 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCO1 ZINC000332701365 565854018 /nfs/dbraw/zinc/85/40/18/565854018.db2.gz WZNGBWDOEMLUIB-RKDXNWHRSA-N -1 3 383.221 3.127 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2)nc1 ZINC000177583370 565860577 /nfs/dbraw/zinc/86/05/77/565860577.db2.gz FPGHDLIQMPSWMP-UHFFFAOYSA-N -1 3 376.459 3.423 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[C@]12CCCO2 ZINC000333031320 565861341 /nfs/dbraw/zinc/86/13/41/565861341.db2.gz OIIKXQMZZWSIHW-PBFPGSCMSA-N -1 3 381.885 3.248 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCN(C)[C@@H]2c2cccs2)sc1C ZINC000333107717 565865661 /nfs/dbraw/zinc/86/56/61/565865661.db2.gz DVHQWCOZEHMQNC-HIFRSBDPSA-N -1 3 385.580 3.183 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccc(Cl)cc1F ZINC000333100867 565866022 /nfs/dbraw/zinc/86/60/22/565866022.db2.gz CHPKTTGCCRFLDF-HNNXBMFYSA-N -1 3 387.864 3.134 20 0 GGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)s1 ZINC000195221043 565867343 /nfs/dbraw/zinc/86/73/43/565867343.db2.gz FBQAOINRIDPGST-UHFFFAOYSA-N -1 3 376.488 3.243 20 0 GGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCSc4c(F)cccc43)cn21 ZINC000333143032 565868017 /nfs/dbraw/zinc/86/80/17/565868017.db2.gz JQZRNVVLCZLRGF-SMDDNHRTSA-N -1 3 381.498 3.435 20 0 GGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCSc4c(F)cccc43)cn21 ZINC000333143030 565868338 /nfs/dbraw/zinc/86/83/38/565868338.db2.gz JQZRNVVLCZLRGF-FZMZJTMJSA-N -1 3 381.498 3.435 20 0 GGADHM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)C1CCC1)c1cnn2c1OCCC2 ZINC000333197367 565871038 /nfs/dbraw/zinc/87/10/38/565871038.db2.gz ULBOKKUWRZSBRF-INIZCTEOSA-N -1 3 381.885 3.139 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000177747185 565871455 /nfs/dbraw/zinc/87/14/55/565871455.db2.gz ZDGRJUXLBUWEDD-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(F)cc1Br ZINC000333197419 565871731 /nfs/dbraw/zinc/87/17/31/565871731.db2.gz ULRKDGGHHJOGTR-RISCZKNCSA-N -1 3 392.290 3.133 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c(F)cc1Br ZINC000333226716 565872986 /nfs/dbraw/zinc/87/29/86/565872986.db2.gz XLYYUILQUFFUFT-ZLKJLUDKSA-N -1 3 392.290 3.133 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)C2CCC(C(F)(F)F)CC2)s1 ZINC000333269682 565875265 /nfs/dbraw/zinc/87/52/65/565875265.db2.gz CHFLOAGFYLBBOH-UHFFFAOYSA-N -1 3 385.477 3.376 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CC2CCN(Cc3cccs3)CC2)sc1C ZINC000333308785 565877267 /nfs/dbraw/zinc/87/72/67/565877267.db2.gz UYGDKCWDOUKLLC-UHFFFAOYSA-N -1 3 385.580 3.012 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000333445282 565882624 /nfs/dbraw/zinc/88/26/24/565882624.db2.gz MPFRXCPDNOHFTQ-GFCCVEGCSA-N -1 3 391.942 3.072 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000195427045 565882850 /nfs/dbraw/zinc/88/28/50/565882850.db2.gz QDSONLOVGZWXQW-UHFFFAOYSA-N -1 3 384.251 3.461 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCN1C1CCCCC1 ZINC000333452367 565883013 /nfs/dbraw/zinc/88/30/13/565883013.db2.gz LYZNHYYPCZBEGX-OAHLLOKOSA-N -1 3 388.892 3.081 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000333445283 565883033 /nfs/dbraw/zinc/88/30/33/565883033.db2.gz MPFRXCPDNOHFTQ-LBPRGKRZSA-N -1 3 391.942 3.072 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000333463363 565883620 /nfs/dbraw/zinc/88/36/20/565883620.db2.gz PZWSLYYSJGZTIF-CXAGYDPISA-N -1 3 379.551 3.091 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000285021144 565884006 /nfs/dbraw/zinc/88/40/06/565884006.db2.gz FGHIHTWNTRJBNS-STQMWFEESA-N -1 3 381.416 3.241 20 0 GGADHM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1F ZINC000285145276 565889784 /nfs/dbraw/zinc/88/97/84/565889784.db2.gz RGUCJPDTVADGSZ-SNVBAGLBSA-N -1 3 375.368 3.324 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)OCCCO2 ZINC000178019183 565890013 /nfs/dbraw/zinc/89/00/13/565890013.db2.gz PHZOHGCVDAWGBV-UHFFFAOYSA-N -1 3 378.222 3.246 20 0 GGADHM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1F ZINC000285145271 565890506 /nfs/dbraw/zinc/89/05/06/565890506.db2.gz RGUCJPDTVADGSZ-JTQLQIEISA-N -1 3 375.368 3.324 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1F ZINC000333644798 565890631 /nfs/dbraw/zinc/89/06/31/565890631.db2.gz CTIYTHGTXSZXQA-LLVKDONJSA-N -1 3 392.290 3.216 20 0 GGADHM CCc1nc2ccccc2n1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178022703 565890690 /nfs/dbraw/zinc/89/06/90/565890690.db2.gz DYKWODCYWZVLAI-UHFFFAOYSA-N -1 3 388.265 3.383 20 0 GGADHM CNC(=O)c1ccc(C)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000178041440 565892012 /nfs/dbraw/zinc/89/20/12/565892012.db2.gz BALAPNZXHJNUCN-UHFFFAOYSA-N -1 3 392.253 3.144 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)s1 ZINC000333732564 565894911 /nfs/dbraw/zinc/89/49/11/565894911.db2.gz UIDKXYQFBAVJAQ-LLVKDONJSA-N -1 3 394.356 3.447 20 0 GGADHM CC(C)[C@H]1N(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000333768639 565895690 /nfs/dbraw/zinc/89/56/90/565895690.db2.gz QXNNZLAAWFTNBU-GDBMZVCRSA-N -1 3 384.567 3.232 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000333744706 565895998 /nfs/dbraw/zinc/89/59/98/565895998.db2.gz YOVPRAQLYBVRGZ-UHFFFAOYSA-N -1 3 395.297 3.440 20 0 GGADHM CC(C)[C@H]1N(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000333768642 565896780 /nfs/dbraw/zinc/89/67/80/565896780.db2.gz QXNNZLAAWFTNBU-GOEBONIOSA-N -1 3 384.567 3.232 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nncn1C ZINC000285275359 565898151 /nfs/dbraw/zinc/89/81/51/565898151.db2.gz JWUYRBOBDVDGEN-LLVKDONJSA-N -1 3 397.715 3.451 20 0 GGADHM COc1cc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc(Br)c1[O-] ZINC000414188436 565902120 /nfs/dbraw/zinc/90/21/20/565902120.db2.gz RCHJBPMQWGLZQI-CQSZACIVSA-N -1 3 385.302 3.418 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H](CCO)c1ccccc1 ZINC000178153931 565902178 /nfs/dbraw/zinc/90/21/78/565902178.db2.gz ZRAIDFVLZNJEMM-HNNXBMFYSA-N -1 3 393.281 3.120 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000285358338 565902608 /nfs/dbraw/zinc/90/26/08/565902608.db2.gz ZSXIWZOPENHEFA-OAHLLOKOSA-N -1 3 383.901 3.460 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1nncn1C ZINC000285399029 565904511 /nfs/dbraw/zinc/90/45/11/565904511.db2.gz TZMBQTGPYSDYBO-LBPRGKRZSA-N -1 3 396.822 3.163 20 0 GGADHM C[C@H](Cn1ccnc1)NCc1cc(Br)c([O-])c(Br)c1 ZINC000221851858 565904648 /nfs/dbraw/zinc/90/46/48/565904648.db2.gz UDAJLNMXYVPEMR-SECBINFHSA-N -1 3 389.091 3.292 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)c3cnn(C)c3C)s2)cs1 ZINC000178292497 565911223 /nfs/dbraw/zinc/91/12/23/565911223.db2.gz LHABAKBRDVVEBE-SECBINFHSA-N -1 3 382.536 3.261 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000178330757 565913719 /nfs/dbraw/zinc/91/37/19/565913719.db2.gz NXUWWDWCBFQDEN-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)c3cn(C)nc3C)s2)cs1 ZINC000178329709 565914060 /nfs/dbraw/zinc/91/40/60/565914060.db2.gz IUQQGSIRNHZNJG-SNVBAGLBSA-N -1 3 382.536 3.261 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1sccc1Br ZINC000285597351 565915540 /nfs/dbraw/zinc/91/55/40/565915540.db2.gz XYVPUBLRLUZFOY-UHFFFAOYSA-N -1 3 379.301 3.329 20 0 GGADHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1ccc(Cl)cc1C(F)(F)F ZINC000178403830 565917498 /nfs/dbraw/zinc/91/74/98/565917498.db2.gz APDRVEFZARFCAN-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)CC1 ZINC000414375966 565918300 /nfs/dbraw/zinc/91/83/00/565918300.db2.gz SRPPFBNMKAAJFX-UHFFFAOYSA-N -1 3 396.690 3.330 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)CC1 ZINC000414377620 565918537 /nfs/dbraw/zinc/91/85/37/565918537.db2.gz BOHDAAUSUXXNPS-UHFFFAOYSA-N -1 3 394.262 3.124 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cccnc2-c2csc(C)c2)CC1 ZINC000414380321 565919530 /nfs/dbraw/zinc/91/95/30/565919530.db2.gz ISISRTQTOPZOHF-UHFFFAOYSA-N -1 3 380.491 3.346 20 0 GGADHM COc1cc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)ccc1[O-] ZINC000285670289 565920339 /nfs/dbraw/zinc/92/03/39/565920339.db2.gz IMLWVUUEGPALDG-MRXNPFEDSA-N -1 3 377.238 3.439 20 0 GGADHM COc1cc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)ccc1[O-] ZINC000285670285 565920727 /nfs/dbraw/zinc/92/07/27/565920727.db2.gz IMLWVUUEGPALDG-INIZCTEOSA-N -1 3 377.238 3.439 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000178496323 565922303 /nfs/dbraw/zinc/92/23/03/565922303.db2.gz ICNQLJSNGQMSGJ-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000414389296 565922375 /nfs/dbraw/zinc/92/23/75/565922375.db2.gz QDEYVOMQTOQBPW-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc3ccccc3o2)CC1)c1cccs1 ZINC000178511837 565923076 /nfs/dbraw/zinc/92/30/76/565923076.db2.gz ICJLTCILDZSMFE-UHFFFAOYSA-N -1 3 376.503 3.437 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000178521296 565924546 /nfs/dbraw/zinc/92/45/46/565924546.db2.gz UQYASBWFHJYBDK-HNNXBMFYSA-N -1 3 383.828 3.232 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000178521228 565925010 /nfs/dbraw/zinc/92/50/10/565925010.db2.gz ICEUOMNRRUUOGP-AWEZNQCLSA-N -1 3 383.828 3.232 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc([C@@H](F)c3ccc(Cl)cc3)no2)c1 ZINC000349645788 565928250 /nfs/dbraw/zinc/92/82/50/565928250.db2.gz MSPOMYXHGIBFLS-ZDUSSCGKSA-N -1 3 382.804 3.215 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1F)c1ccc(Br)c(F)c1 ZINC000230589245 565928578 /nfs/dbraw/zinc/92/85/78/565928578.db2.gz MPUUGMZDYIDMHM-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1nccs1 ZINC000230725111 565929437 /nfs/dbraw/zinc/92/94/37/565929437.db2.gz UQTGTKZKCVOGLU-MRVPVSSYSA-N -1 3 379.276 3.127 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1ccc(Br)c(F)c1 ZINC000230603946 565930052 /nfs/dbraw/zinc/93/00/52/565930052.db2.gz FDFQHNMJBGVSQQ-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CCSCc1noc(-c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000350089714 565932228 /nfs/dbraw/zinc/93/22/28/565932228.db2.gz WSFNRINCSCIESM-UHFFFAOYSA-N -1 3 381.401 3.380 20 0 GGADHM COc1ccc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000178683334 565932616 /nfs/dbraw/zinc/93/26/16/565932616.db2.gz JHMOIBBNVIEZID-UHFFFAOYSA-N -1 3 397.244 3.344 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)NCc1ccccc1 ZINC000178687873 565932788 /nfs/dbraw/zinc/93/27/88/565932788.db2.gz PNCGGDNNDRKWOF-CYBMUJFWSA-N -1 3 380.535 3.029 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3cscn3)no2)cc(C(F)(F)F)c1 ZINC000350318544 565934952 /nfs/dbraw/zinc/93/49/52/565934952.db2.gz NWINMVJDRMVTMO-UHFFFAOYSA-N -1 3 390.368 3.250 20 0 GGADHM C[C@@H](CC[S@@](C)=O)NCc1cc(Br)c([O-])c(Br)c1 ZINC000235091735 565935466 /nfs/dbraw/zinc/93/54/66/565935466.db2.gz BXHMJHFPCQRDQX-DCXZOGHSSA-N -1 3 399.148 3.164 20 0 GGADHM CC[C@H](C)CN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000178729003 565935616 /nfs/dbraw/zinc/93/56/16/565935616.db2.gz UZSQDAHONLMGCC-JTQLQIEISA-N -1 3 398.244 3.251 20 0 GGADHM C[C@H](CC[S@@](C)=O)NCc1cc(Br)c([O-])c(Br)c1 ZINC000235457544 565937005 /nfs/dbraw/zinc/93/70/05/565937005.db2.gz BXHMJHFPCQRDQX-NTCNTBNZSA-N -1 3 399.148 3.164 20 0 GGADHM CN(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000414464724 565937983 /nfs/dbraw/zinc/93/79/83/565937983.db2.gz OCDSNVRNCCIVBC-RYUDHWBXSA-N -1 3 399.713 3.003 20 0 GGADHM CC(C)c1nncn1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000414460500 565938113 /nfs/dbraw/zinc/93/81/13/565938113.db2.gz NMUVVVWXMCFXKT-UHFFFAOYSA-N -1 3 396.822 3.052 20 0 GGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1ccc(Cl)c(Br)c1 ZINC000236053627 565938461 /nfs/dbraw/zinc/93/84/61/565938461.db2.gz KXNCAZPVPUQRAW-JTQLQIEISA-N -1 3 382.707 3.340 20 0 GGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(C)c2Br)nc1C ZINC000414468874 565938928 /nfs/dbraw/zinc/93/89/28/565938928.db2.gz ZLTVGGHHDJZCHD-UHFFFAOYSA-N -1 3 397.294 3.142 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cncc(Br)c2)ccc1CN(C)C ZINC000414466928 565939025 /nfs/dbraw/zinc/93/90/25/565939025.db2.gz XQOMWWSPMGIHGS-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000414469748 565939112 /nfs/dbraw/zinc/93/91/12/565939112.db2.gz MREPNCKAFRNBQJ-SECBINFHSA-N -1 3 380.272 3.252 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)Cn2ccnc2C)c(Cl)c1Cl ZINC000414468558 565939182 /nfs/dbraw/zinc/93/91/82/565939182.db2.gz KJKHZFIZDRKUAC-JTQLQIEISA-N -1 3 392.308 3.122 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(F)c1 ZINC000414472026 565940493 /nfs/dbraw/zinc/94/04/93/565940493.db2.gz NIBVKWFWEKOWAO-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(F)c1 ZINC000414471791 565940804 /nfs/dbraw/zinc/94/08/04/565940804.db2.gz MDLMGTWVTLTCQE-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c(Br)c1[O-] ZINC000414492684 565941226 /nfs/dbraw/zinc/94/12/26/565941226.db2.gz ZZIQQLJZKXGBFX-CABCVRRESA-N -1 3 378.266 3.471 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc2cccnc21 ZINC000178865526 565942788 /nfs/dbraw/zinc/94/27/88/565942788.db2.gz LUPYSTHVMQYBQU-UHFFFAOYSA-N -1 3 393.262 3.181 20 0 GGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000178968551 565949639 /nfs/dbraw/zinc/94/96/39/565949639.db2.gz XPUUUUBCBMUFLL-UHFFFAOYSA-N -1 3 384.860 3.154 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc(OC(F)F)c1)c1ccc(Cl)s1 ZINC000178968212 565950087 /nfs/dbraw/zinc/95/00/87/565950087.db2.gz TZSSMXQLWWDFPO-UHFFFAOYSA-N -1 3 396.868 3.071 20 0 GGADHM COc1cc(CNc2ccc(N3CCNC3=O)cc2)cc(Br)c1[O-] ZINC000237215467 565953895 /nfs/dbraw/zinc/95/38/95/565953895.db2.gz RFMMLWYICADILO-UHFFFAOYSA-N -1 3 392.253 3.305 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(Cl)ccc1OC(F)F)c1cccs1 ZINC000179087274 565956716 /nfs/dbraw/zinc/95/67/16/565956716.db2.gz KAQBNJBYOZJFIH-UHFFFAOYSA-N -1 3 396.868 3.071 20 0 GGADHM C[C@@H](N)C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000237325694 565957000 /nfs/dbraw/zinc/95/70/00/565957000.db2.gz BOWVSOZXBUBPMX-SECBINFHSA-N -1 3 388.276 3.080 20 0 GGADHM COc1cc(C(=O)NCCc2ccc(Br)s2)cc(OC)c1[O-] ZINC000179101036 565957495 /nfs/dbraw/zinc/95/74/95/565957495.db2.gz DXSCWOAAQUXVGH-UHFFFAOYSA-N -1 3 386.267 3.206 20 0 GGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000179094650 565957959 /nfs/dbraw/zinc/95/79/59/565957959.db2.gz PIPQUHGZQVEPEH-UHFFFAOYSA-N -1 3 378.259 3.083 20 0 GGADHM C[C@@H]1CCc2c(sc3[n-]c(Cn4cc(Br)cn4)nc(=O)c23)C1 ZINC000179098373 565958135 /nfs/dbraw/zinc/95/81/35/565958135.db2.gz SWWBTQCSKAUXTK-MRVPVSSYSA-N -1 3 379.283 3.117 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)Nc1ccc(Cl)cc1 ZINC000179126187 565958678 /nfs/dbraw/zinc/95/86/78/565958678.db2.gz PPQXQNABPFTCKV-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM C[C@@H](CN)NC(=O)N=c1[n-]nc(SCc2c(Cl)cccc2Cl)s1 ZINC000414909133 565965211 /nfs/dbraw/zinc/96/52/11/565965211.db2.gz FYADWJPQVMIRMN-ZETCQYMHSA-N -1 3 392.337 3.028 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)c1 ZINC000179259590 565969359 /nfs/dbraw/zinc/96/93/59/565969359.db2.gz VFZCHZPKSDRUFR-UHFFFAOYSA-N -1 3 376.507 3.109 20 0 GGADHM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1F ZINC000179258273 565969554 /nfs/dbraw/zinc/96/95/54/565969554.db2.gz HKYUFADVOOHJSO-UHFFFAOYSA-N -1 3 386.470 3.087 20 0 GGADHM COCCn1cc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)nn1 ZINC000415230893 565979154 /nfs/dbraw/zinc/97/91/54/565979154.db2.gz WXJSFRRUHKRASJ-UHFFFAOYSA-N -1 3 376.816 3.187 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc(OC)c1[O-] ZINC000362412565 565979596 /nfs/dbraw/zinc/97/95/96/565979596.db2.gz HATQKMAXEUDLMK-CYBMUJFWSA-N -1 3 383.853 3.338 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000243162040 565984915 /nfs/dbraw/zinc/98/49/15/565984915.db2.gz JPXGJJWMDUNTBU-UHFFFAOYSA-N -1 3 388.898 3.106 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000242847070 565984928 /nfs/dbraw/zinc/98/49/28/565984928.db2.gz FXKVMYAPHKVYHR-LBPRGKRZSA-N -1 3 379.869 3.262 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000242758651 565985060 /nfs/dbraw/zinc/98/50/60/565985060.db2.gz DLCPNZPCZPAVOF-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000243629376 565986211 /nfs/dbraw/zinc/98/62/11/565986211.db2.gz OYYANZGKGPUTCS-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000243439069 565986513 /nfs/dbraw/zinc/98/65/13/565986513.db2.gz NASIBHYZIVZDQK-UHFFFAOYSA-N -1 3 386.926 3.117 20 0 GGADHM CCS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000363023184 565987653 /nfs/dbraw/zinc/98/76/53/565987653.db2.gz FGRIZTNBXOVOMG-UHFFFAOYSA-N -1 3 379.488 3.313 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245496737 565992869 /nfs/dbraw/zinc/99/28/69/565992869.db2.gz SAHNTXREBPYOLO-YABSGUDNSA-N -1 3 376.400 3.452 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1c(Cl)cccc1Cl ZINC000363233038 565996485 /nfs/dbraw/zinc/99/64/85/565996485.db2.gz APJPKGCWGIIRAF-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179654603 565996553 /nfs/dbraw/zinc/99/65/53/565996553.db2.gz NGTUEMQBJFBXGQ-UHFFFAOYSA-N -1 3 398.278 3.373 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)s2)cs1 ZINC000245568920 565997425 /nfs/dbraw/zinc/99/74/25/565997425.db2.gz YHGRTBUPVLCJLO-IUIKQTSFSA-N -1 3 396.559 3.416 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@@H](c2ncon2)C(C)C)cc(Br)c1[O-] ZINC000287143684 566000460 /nfs/dbraw/zinc/00/04/60/566000460.db2.gz QUGWXYLLIATCCM-ISZGNANSSA-N -1 3 396.241 3.073 20 0 GGADHM C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)[C@H](CN)C1 ZINC000415507397 566001396 /nfs/dbraw/zinc/00/13/96/566001396.db2.gz CWYQTIYAJHTKLX-ZJUUUORDSA-N -1 3 383.880 3.011 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000179709489 566002780 /nfs/dbraw/zinc/00/27/80/566002780.db2.gz CVIITMVZVIINOP-INIZCTEOSA-N -1 3 377.466 3.362 20 0 GGADHM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000179741316 566005081 /nfs/dbraw/zinc/00/50/81/566005081.db2.gz LROFLWODKGUMOG-XMMPIXPASA-N -1 3 381.519 3.462 20 0 GGADHM C[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@@H]1CN ZINC000415633327 566009960 /nfs/dbraw/zinc/00/99/60/566009960.db2.gz QLDWXBHKOAFOPA-NOZJJQNGSA-N -1 3 383.880 3.011 20 0 GGADHM C[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@H]1CN ZINC000415633328 566010185 /nfs/dbraw/zinc/01/01/85/566010185.db2.gz QLDWXBHKOAFOPA-RNCFNFMXSA-N -1 3 383.880 3.011 20 0 GGADHM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@H](CN)C1 ZINC000415628148 566010313 /nfs/dbraw/zinc/01/03/13/566010313.db2.gz DXPJLWOSCBYDCJ-ONGXEEELSA-N -1 3 383.880 3.011 20 0 GGADHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179897927 566017116 /nfs/dbraw/zinc/01/71/16/566017116.db2.gz BRGUIJKZKDRIHX-UKRRQHHQSA-N -1 3 386.583 3.310 20 0 GGADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179897941 566017220 /nfs/dbraw/zinc/01/72/20/566017220.db2.gz BRGUIJKZKDRIHX-DZGCQCFKSA-N -1 3 386.583 3.310 20 0 GGADHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179897898 566017569 /nfs/dbraw/zinc/01/75/69/566017569.db2.gz BRGUIJKZKDRIHX-HIFRSBDPSA-N -1 3 386.583 3.310 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ncccc2Cl)ccc1F ZINC000179911910 566018326 /nfs/dbraw/zinc/01/83/26/566018326.db2.gz BVVJJHSYIYSMQK-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM COCCc1ccnc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000287493362 566021513 /nfs/dbraw/zinc/02/15/13/566021513.db2.gz YANVIRCCLMRCMK-UHFFFAOYSA-N -1 3 380.242 3.060 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000179962358 566021761 /nfs/dbraw/zinc/02/17/61/566021761.db2.gz BKSXKUQMPFWNTN-SECBINFHSA-N -1 3 397.444 3.172 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000179962371 566022093 /nfs/dbraw/zinc/02/20/93/566022093.db2.gz BKSXKUQMPFWNTN-VIFPVBQESA-N -1 3 397.444 3.172 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)s1 ZINC000179969553 566022832 /nfs/dbraw/zinc/02/28/32/566022832.db2.gz AYKWTFQPABSNQI-AWEZNQCLSA-N -1 3 386.583 3.310 20 0 GGADHM CCCC1(C[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 ZINC000179971960 566022888 /nfs/dbraw/zinc/02/28/88/566022888.db2.gz FSUPGLFCWXZDEZ-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM [O-]C(=NOCc1ccc(F)cc1Br)Nc1cc2n(n1)CCCC2 ZINC000287529029 566023738 /nfs/dbraw/zinc/02/37/38/566023738.db2.gz ZXJIUZBTVBHCHC-UHFFFAOYSA-N -1 3 383.221 3.374 20 0 GGADHM O=C([N-]OCc1ccc(F)cc1Br)Nc1cc2n(n1)CCCC2 ZINC000287529029 566023741 /nfs/dbraw/zinc/02/37/41/566023741.db2.gz ZXJIUZBTVBHCHC-UHFFFAOYSA-N -1 3 383.221 3.374 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c1Cl ZINC000180003391 566024624 /nfs/dbraw/zinc/02/46/24/566024624.db2.gz OHNNAMOPXAFKLH-UHFFFAOYSA-N -1 3 380.775 3.173 20 0 GGADHM CC[C@H]1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000180010487 566025548 /nfs/dbraw/zinc/02/55/48/566025548.db2.gz BKYVTJXTOGEPAO-JTQLQIEISA-N -1 3 396.228 3.005 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(Br)c1[O-] ZINC000180059170 566029041 /nfs/dbraw/zinc/02/90/41/566029041.db2.gz BEPMCVRZPOOEEA-JTPAALNWSA-N -1 3 396.281 3.106 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000287615416 566029496 /nfs/dbraw/zinc/02/94/96/566029496.db2.gz XSSCKHJBZKQMCU-UHFFFAOYSA-N -1 3 386.882 3.155 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)n1 ZINC000180077352 566030106 /nfs/dbraw/zinc/03/01/06/566030106.db2.gz TYPUDQIFJAWMIS-UHFFFAOYSA-N -1 3 396.357 3.193 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)c1ccncc1 ZINC000180084014 566031562 /nfs/dbraw/zinc/03/15/62/566031562.db2.gz XCYYWFXEQFVCPE-JTQLQIEISA-N -1 3 376.301 3.039 20 0 GGADHM COC(=O)c1c([N-]C(=O)c2ccc(Br)o2)sc2c1CCOC2 ZINC000416088501 566033320 /nfs/dbraw/zinc/03/33/20/566033320.db2.gz CHTKOMHFHIWNIG-UHFFFAOYSA-N -1 3 386.223 3.215 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000246577385 566034427 /nfs/dbraw/zinc/03/44/27/566034427.db2.gz INBXHVVHJPNKIX-MNDBLIDSSA-N -1 3 383.457 3.064 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1c(F)cccc1OC(F)(F)F ZINC000287706522 566035079 /nfs/dbraw/zinc/03/50/79/566035079.db2.gz FZAZWTCANIQSMV-JTQLQIEISA-N -1 3 383.363 3.104 20 0 GGADHM COC(=O)c1c([N-]C(=O)c2cc(Br)co2)sc2c1CCOC2 ZINC000416124661 566035437 /nfs/dbraw/zinc/03/54/37/566035437.db2.gz ZUAFUAJDUNCDOX-UHFFFAOYSA-N -1 3 386.223 3.215 20 0 GGADHM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000416148263 566037715 /nfs/dbraw/zinc/03/77/15/566037715.db2.gz SSQQGTHCGMELSA-ZDUSSCGKSA-N -1 3 385.277 3.384 20 0 GGADHM CO[C@@H](CC(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000416151145 566038019 /nfs/dbraw/zinc/03/80/19/566038019.db2.gz ODWNFTNJMOIUGS-ZDUSSCGKSA-N -1 3 382.404 3.077 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(Cl)c1 ZINC000180148949 566038120 /nfs/dbraw/zinc/03/81/20/566038120.db2.gz QJSNQQQQHKSYDL-UHFFFAOYSA-N -1 3 382.869 3.288 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)s1 ZINC000416501636 566078159 /nfs/dbraw/zinc/07/81/59/566078159.db2.gz IPRUUJKPLKNSCA-SNVBAGLBSA-N -1 3 382.345 3.303 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000246749712 566039610 /nfs/dbraw/zinc/03/96/10/566039610.db2.gz XHCMMAXPMJZXNW-BJFPOWJFSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000246744578 566040165 /nfs/dbraw/zinc/04/01/65/566040165.db2.gz WWMPCKGLAQDKPX-ZSMADZGOSA-N -1 3 384.350 3.352 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180176044 566040419 /nfs/dbraw/zinc/04/04/19/566040419.db2.gz NZCZDFRGMQMEOL-GDBMZVCRSA-N -1 3 387.864 3.065 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(n2cc(Br)cn2)CC1 ZINC000364248571 566040904 /nfs/dbraw/zinc/04/09/04/566040904.db2.gz KMXKTGNXZDXTGQ-UHFFFAOYSA-N -1 3 394.269 3.060 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180177848 566041308 /nfs/dbraw/zinc/04/13/08/566041308.db2.gz UKTKGGNROZRPFB-TZMCWYRMSA-N -1 3 391.873 3.358 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000180177894 566041556 /nfs/dbraw/zinc/04/15/56/566041556.db2.gz UKTKGGNROZRPFB-JSGCOSHPSA-N -1 3 391.873 3.358 20 0 GGADHM Cc1cc(Br)c(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc1Cl ZINC000287815887 566041785 /nfs/dbraw/zinc/04/17/85/566041785.db2.gz KMSAVBPKFGFNAC-UHFFFAOYSA-N -1 3 382.645 3.105 20 0 GGADHM O=C(Nc1cnn(-c2ccccc2Br)c1)c1cccc2nn[n-]c21 ZINC000180191992 566042628 /nfs/dbraw/zinc/04/26/28/566042628.db2.gz LQZSEGFZJUDAKA-UHFFFAOYSA-N -1 3 383.209 3.158 20 0 GGADHM O=C(Nc1cnn(-c2ccccc2Br)c1)c1cccc2[n-]nnc21 ZINC000180191992 566042632 /nfs/dbraw/zinc/04/26/32/566042632.db2.gz LQZSEGFZJUDAKA-UHFFFAOYSA-N -1 3 383.209 3.158 20 0 GGADHM O=C(Nc1cnn(-c2ccccc2Br)c1)c1cccc2n[n-]nc21 ZINC000180191992 566042638 /nfs/dbraw/zinc/04/26/38/566042638.db2.gz LQZSEGFZJUDAKA-UHFFFAOYSA-N -1 3 383.209 3.158 20 0 GGADHM Cn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(-c2ccccc2)n1 ZINC000180196973 566043165 /nfs/dbraw/zinc/04/31/65/566043165.db2.gz QMIUIGXCNMCERC-UHFFFAOYSA-N -1 3 386.249 3.485 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cnc(Cl)c(F)c1 ZINC000287890119 566046647 /nfs/dbraw/zinc/04/66/47/566046647.db2.gz RKBJRTWDBRBBDX-IUODEOHRSA-N -1 3 388.823 3.212 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)c1 ZINC000180239252 566047050 /nfs/dbraw/zinc/04/70/50/566047050.db2.gz IIDCUNHUFPEKCV-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM COCCCO[N-]C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000287927239 566047347 /nfs/dbraw/zinc/04/73/47/566047347.db2.gz UXLAMSAIQZXLAQ-UHFFFAOYSA-N -1 3 388.251 3.450 20 0 GGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(C2CC2)cc1 ZINC000416303388 566051792 /nfs/dbraw/zinc/05/17/92/566051792.db2.gz XVXSEOSGBNJQIR-CYBMUJFWSA-N -1 3 378.519 3.171 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180290730 566052592 /nfs/dbraw/zinc/05/25/92/566052592.db2.gz UBZAJGNIMVROTQ-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000416364069 566057339 /nfs/dbraw/zinc/05/73/39/566057339.db2.gz TXDUNORHGZQRDG-OAHLLOKOSA-N -1 3 379.865 3.483 20 0 GGADHM O=C(NCCNc1cccc(Br)c1)c1c[n-]c2ccccc2c1=O ZINC000180363684 566057899 /nfs/dbraw/zinc/05/78/99/566057899.db2.gz ZPYDBPNDJHNIGI-UHFFFAOYSA-N -1 3 386.249 3.133 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)cn1C ZINC000416372952 566058139 /nfs/dbraw/zinc/05/81/39/566058139.db2.gz LGFHIDVQNIZEDN-UHFFFAOYSA-N -1 3 376.507 3.146 20 0 GGADHM COc1ccc(S(C)(=O)=O)cc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180364139 566058147 /nfs/dbraw/zinc/05/81/47/566058147.db2.gz HIQMMSSDVFFQKM-UHFFFAOYSA-N -1 3 375.780 3.283 20 0 GGADHM O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Br)c([O-])c1 ZINC000180362541 566058244 /nfs/dbraw/zinc/05/82/44/566058244.db2.gz FSUDOPAVJSPEKK-UHFFFAOYSA-N -1 3 390.281 3.196 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000416374411 566058393 /nfs/dbraw/zinc/05/83/93/566058393.db2.gz RKXQQCCOKTVBRQ-UHFFFAOYSA-N -1 3 379.865 3.484 20 0 GGADHM COC1(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)CCC1 ZINC000180390767 566060413 /nfs/dbraw/zinc/06/04/13/566060413.db2.gz MEDIDOUAOVCHMR-UHFFFAOYSA-N -1 3 382.707 3.091 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)cn1C ZINC000416386633 566060965 /nfs/dbraw/zinc/06/09/65/566060965.db2.gz IOTSDDIHZSSBBV-UHFFFAOYSA-N -1 3 384.914 3.285 20 0 GGADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1coc(-c2cccs2)n1 ZINC000180410577 566061681 /nfs/dbraw/zinc/06/16/81/566061681.db2.gz FFNKZYIKMNTJRF-UHFFFAOYSA-N -1 3 375.431 3.164 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ccc21 ZINC000416395992 566062027 /nfs/dbraw/zinc/06/20/27/566062027.db2.gz YTFWHSDNFOJANQ-OAHLLOKOSA-N -1 3 379.865 3.401 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)cs1 ZINC000416395339 566062065 /nfs/dbraw/zinc/06/20/65/566062065.db2.gz ZBDDPHCYYNJBRZ-SECBINFHSA-N -1 3 388.898 3.185 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000247552484 566062833 /nfs/dbraw/zinc/06/28/33/566062833.db2.gz KMCHDIPHSDCWTJ-SWLSCSKDSA-N -1 3 378.270 3.388 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000416408438 566063611 /nfs/dbraw/zinc/06/36/11/566063611.db2.gz QCQJNJLTSZQXKT-DZGCQCFKSA-N -1 3 379.865 3.036 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000416401282 566063691 /nfs/dbraw/zinc/06/36/91/566063691.db2.gz SZTYPFKYDZIMEY-QWRGUYRKSA-N -1 3 377.915 3.079 20 0 GGADHM CC1(C)CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H]1c1cccs1 ZINC000288259849 566065432 /nfs/dbraw/zinc/06/54/32/566065432.db2.gz HDGWNZASVLVMSW-HNNXBMFYSA-N -1 3 382.482 3.482 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)c(F)cc1Br ZINC000416420373 566066163 /nfs/dbraw/zinc/06/61/63/566066163.db2.gz YUGCSAWPAXSRAO-LLVKDONJSA-N -1 3 387.274 3.201 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCN(C)C ZINC000416421384 566066256 /nfs/dbraw/zinc/06/62/56/566066256.db2.gz BVRGLONPXGBLBI-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)cc1C ZINC000288310385 566067152 /nfs/dbraw/zinc/06/71/52/566067152.db2.gz TYJCVDVCUDSWEB-UHFFFAOYSA-N -1 3 385.873 3.006 20 0 GGADHM COc1ccc(CNc2ccc(N(C)C(C)=O)nc2)c(Br)c1[O-] ZINC000416429319 566067458 /nfs/dbraw/zinc/06/74/58/566067458.db2.gz VGTXNCZOTKVYDY-UHFFFAOYSA-N -1 3 380.242 3.153 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2sccc2-c2ccccc2)s1 ZINC000247931147 566068441 /nfs/dbraw/zinc/06/84/41/566068441.db2.gz FVRLVUIRRRFNKW-UHFFFAOYSA-N -1 3 392.527 3.315 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c(F)cc1Br ZINC000416449140 566069286 /nfs/dbraw/zinc/06/92/86/566069286.db2.gz ITGNBJGKXQMMMJ-BXUZGUMPSA-N -1 3 394.306 3.379 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cn1C ZINC000416463943 566070917 /nfs/dbraw/zinc/07/09/17/566070917.db2.gz FPTVOGRHRTUSOV-CYBMUJFWSA-N -1 3 375.416 3.168 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1nccs1 ZINC000416464624 566072299 /nfs/dbraw/zinc/07/22/99/566072299.db2.gz XLDNQKGJWBPRQK-HNNXBMFYSA-N -1 3 390.914 3.417 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000364881122 566073243 /nfs/dbraw/zinc/07/32/43/566073243.db2.gz WLNPBJFWOLWSHS-OAHLLOKOSA-N -1 3 397.909 3.212 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000180568090 566073411 /nfs/dbraw/zinc/07/34/11/566073411.db2.gz YICHJGUDJYABIA-UWVGGRQHSA-N -1 3 383.388 3.028 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)n1 ZINC000180565306 566073707 /nfs/dbraw/zinc/07/37/07/566073707.db2.gz OSNMTBZUVBHKIF-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000180568075 566073940 /nfs/dbraw/zinc/07/39/40/566073940.db2.gz YICHJGUDJYABIA-VHSXEESVSA-N -1 3 383.388 3.028 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)o1 ZINC000416482286 566074152 /nfs/dbraw/zinc/07/41/52/566074152.db2.gz FKUVYQUNBROFCT-UHFFFAOYSA-N -1 3 388.873 3.085 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)cc1Cl ZINC000416491305 566075226 /nfs/dbraw/zinc/07/52/26/566075226.db2.gz XSFRVOLOZVJBGA-JTQLQIEISA-N -1 3 383.844 3.461 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000416500363 566076241 /nfs/dbraw/zinc/07/62/41/566076241.db2.gz CPJWQSMKMFMKPU-JTQLQIEISA-N -1 3 380.279 3.072 20 0 GGADHM CCc1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c([O-])c1 ZINC000364947090 566076651 /nfs/dbraw/zinc/07/66/51/566076651.db2.gz HVRYKVLOCSIEKN-UHFFFAOYSA-N -1 3 378.270 3.391 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)on1 ZINC000180617919 566076575 /nfs/dbraw/zinc/07/65/75/566076575.db2.gz VVFMTEYFRHSNKX-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000416500266 566076664 /nfs/dbraw/zinc/07/66/64/566076664.db2.gz BSVFMBHZPJOVAG-SNVBAGLBSA-N -1 3 380.279 3.072 20 0 GGADHM [O-]c1ccc(Br)c(CNCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000288519089 566077807 /nfs/dbraw/zinc/07/78/07/566077807.db2.gz UJIYFJNXJPQYIS-ZDUSSCGKSA-N -1 3 393.281 3.255 20 0 GGADHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248424974 566077806 /nfs/dbraw/zinc/07/78/06/566077806.db2.gz HQHJLJNPUXTASD-KNCOVGOOSA-N -1 3 378.460 3.013 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)s1 ZINC000416501635 566078002 /nfs/dbraw/zinc/07/80/02/566078002.db2.gz IPRUUJKPLKNSCA-JTQLQIEISA-N -1 3 382.345 3.303 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)c(Cl)c1Cl ZINC000416502399 566078013 /nfs/dbraw/zinc/07/80/13/566078013.db2.gz LQBNDWVAWVUDHQ-JTQLQIEISA-N -1 3 382.309 3.486 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)cc1Cl ZINC000416504189 566078213 /nfs/dbraw/zinc/07/82/13/566078213.db2.gz SVJVYNOTUXPEEL-JTQLQIEISA-N -1 3 382.309 3.486 20 0 GGADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CC(C)(C)C)cc1F ZINC000416507321 566078961 /nfs/dbraw/zinc/07/89/61/566078961.db2.gz MYRHLAWPPQCXGT-LBPRGKRZSA-N -1 3 394.534 3.079 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000416520889 566080312 /nfs/dbraw/zinc/08/03/12/566080312.db2.gz GYXDPPJAGGCWQK-JTQLQIEISA-N -1 3 381.828 3.230 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)cc1Cl ZINC000416516857 566080333 /nfs/dbraw/zinc/08/03/33/566080333.db2.gz AOOHORBXKMJIHU-GHMZBOCLSA-N -1 3 399.843 3.186 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180664185 566080628 /nfs/dbraw/zinc/08/06/28/566080628.db2.gz WIHIHVVVSXLTSN-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000416529129 566081198 /nfs/dbraw/zinc/08/11/98/566081198.db2.gz ZIOYCNVQGHBJIK-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM Cc1nc2[nH]c(SCC(=O)Nc3ccccc3[O-])nc2cc1Br ZINC000180716169 566082502 /nfs/dbraw/zinc/08/25/02/566082502.db2.gz DOHHWAGSGYDRSE-UHFFFAOYSA-N -1 3 393.266 3.465 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000416542375 566084717 /nfs/dbraw/zinc/08/47/17/566084717.db2.gz CRVSQHRCQJPEOI-KBXCAEBGSA-N -1 3 386.583 3.166 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000288660065 566084853 /nfs/dbraw/zinc/08/48/53/566084853.db2.gz RTWRQJXYGBQNOX-SMDDNHRTSA-N -1 3 384.548 3.086 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000288660062 566085155 /nfs/dbraw/zinc/08/51/55/566085155.db2.gz RTWRQJXYGBQNOX-RISCZKNCSA-N -1 3 384.548 3.086 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H]2CCO[C@H]21 ZINC000248670875 566085240 /nfs/dbraw/zinc/08/52/40/566085240.db2.gz QNMZDUQLGYZHJQ-OASPWFOLSA-N -1 3 394.718 3.194 20 0 GGADHM CN1CCC[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000416548814 566085466 /nfs/dbraw/zinc/08/54/66/566085466.db2.gz CAYZKCGXPCFWJD-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000416549237 566085542 /nfs/dbraw/zinc/08/55/42/566085542.db2.gz CQYPOPGQUIMYPA-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000180740544 566085593 /nfs/dbraw/zinc/08/55/93/566085593.db2.gz UNEWVWWCQJQIIS-CVEARBPZSA-N -1 3 375.343 3.052 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000416549763 566085748 /nfs/dbraw/zinc/08/57/48/566085748.db2.gz ZCGRMRCFUNZXCH-UHFFFAOYSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccn(C)n1 ZINC000416553486 566085838 /nfs/dbraw/zinc/08/58/38/566085838.db2.gz CKFAFIXDSHRQFR-ZETCQYMHSA-N -1 3 396.669 3.015 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H]2CCO[C@H]21 ZINC000248670879 566085904 /nfs/dbraw/zinc/08/59/04/566085904.db2.gz QNMZDUQLGYZHJQ-ZWKOPEQDSA-N -1 3 394.718 3.194 20 0 GGADHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000416551145 566085884 /nfs/dbraw/zinc/08/58/84/566085884.db2.gz RWDFCGPEVHQOKI-SNVBAGLBSA-N -1 3 377.409 3.221 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 ZINC000180745381 566085937 /nfs/dbraw/zinc/08/59/37/566085937.db2.gz ADNVYVRVWJMYKE-HZPDHXFCSA-N -1 3 375.343 3.052 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 ZINC000180745413 566085950 /nfs/dbraw/zinc/08/59/50/566085950.db2.gz ADNVYVRVWJMYKE-JKSUJKDBSA-N -1 3 375.343 3.052 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000416548489 566086069 /nfs/dbraw/zinc/08/60/69/566086069.db2.gz XDQSDVMAFMCDPQ-UHFFFAOYSA-N -1 3 382.707 3.338 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000416550017 566086242 /nfs/dbraw/zinc/08/62/42/566086242.db2.gz ZVCIKGKPDAKVRR-UHFFFAOYSA-N -1 3 396.822 3.253 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@]2(C)CC=CCC2)cc1 ZINC000416559913 566086985 /nfs/dbraw/zinc/08/69/85/566086985.db2.gz OZXUPMLAILGIMN-QGZVFWFLSA-N -1 3 386.539 3.006 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c1Cl ZINC000180788079 566087929 /nfs/dbraw/zinc/08/79/29/566087929.db2.gz WACQDYOVJWLRHQ-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM CCC(O)(CC)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180777305 566088291 /nfs/dbraw/zinc/08/82/91/566088291.db2.gz VEUWKVVBQBHIDO-UHFFFAOYSA-N -1 3 384.723 3.073 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1 ZINC000416563834 566088506 /nfs/dbraw/zinc/08/85/06/566088506.db2.gz APFWROSEHNBIKF-CABZTGNLSA-N -1 3 387.807 3.205 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]Cc2cccc(Br)c2Cl)on1 ZINC000416575542 566089613 /nfs/dbraw/zinc/08/96/13/566089613.db2.gz BWYFHEOYDFEJSA-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000416582211 566090779 /nfs/dbraw/zinc/09/07/79/566090779.db2.gz AVSRMTUZXIPSDL-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000416591345 566091189 /nfs/dbraw/zinc/09/11/89/566091189.db2.gz UHEFJPRKDBTLAM-ZDUSSCGKSA-N -1 3 375.918 3.470 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000416591320 566091360 /nfs/dbraw/zinc/09/13/60/566091360.db2.gz LHWFDCIYWCFEQI-UHFFFAOYSA-N -1 3 382.309 3.486 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)OCC1CC1 ZINC000416597342 566092270 /nfs/dbraw/zinc/09/22/70/566092270.db2.gz NSEZEVYSKNRZDJ-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)CC(F)(F)F ZINC000416593927 566092391 /nfs/dbraw/zinc/09/23/91/566092391.db2.gz KNCWNGRYFLWMBX-SECBINFHSA-N -1 3 387.807 3.384 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)CCCO1 ZINC000180831074 566092636 /nfs/dbraw/zinc/09/26/36/566092636.db2.gz WNDIDPGKPJWLTC-CYBMUJFWSA-N -1 3 382.707 3.091 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000416597432 566092837 /nfs/dbraw/zinc/09/28/37/566092837.db2.gz NOKJBLMSPGUYCX-OTYXRUKQSA-N -1 3 380.279 3.070 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c1 ZINC000416599086 566093562 /nfs/dbraw/zinc/09/35/62/566093562.db2.gz HGVJRYSRLBRFAW-MRVPVSSYSA-N -1 3 390.221 3.325 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000416600811 566093568 /nfs/dbraw/zinc/09/35/68/566093568.db2.gz QPIJFBOPBCTWRD-XPTSAGLGSA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CC1 ZINC000416602733 566093579 /nfs/dbraw/zinc/09/35/79/566093579.db2.gz RWWQADCYBVJMOS-LKFCYVNXSA-N -1 3 380.279 3.070 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OCCOC)CC(F)(F)F ZINC000416599829 566093923 /nfs/dbraw/zinc/09/39/23/566093923.db2.gz QLHDVFYEIFAAFZ-LLVKDONJSA-N -1 3 387.395 3.108 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000416600623 566094083 /nfs/dbraw/zinc/09/40/83/566094083.db2.gz QFZYVHPLCZXVCP-XPTSAGLGSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@@H](C)O1 ZINC000416599200 566094181 /nfs/dbraw/zinc/09/41/81/566094181.db2.gz HMEYYKJPAXLCTE-OPRDCNLKSA-N -1 3 382.707 3.194 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)OCC1CC1 ZINC000416599864 566094256 /nfs/dbraw/zinc/09/42/56/566094256.db2.gz QLRUNJNHERLMDO-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@@H](C)O1 ZINC000416608815 566094791 /nfs/dbraw/zinc/09/47/91/566094791.db2.gz SOTAQWNBOIUNRK-BBBLOLIVSA-N -1 3 382.707 3.194 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c1 ZINC000416609845 566094852 /nfs/dbraw/zinc/09/48/52/566094852.db2.gz VVCXFAMAOCZDDO-QMMMGPOBSA-N -1 3 390.221 3.325 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(C)CCC(C)(C)CC2)s1 ZINC000416605775 566095097 /nfs/dbraw/zinc/09/50/97/566095097.db2.gz YOYULECMTQNDEM-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000416607280 566095448 /nfs/dbraw/zinc/09/54/48/566095448.db2.gz YSNRZPVJBSFCSY-OTYXRUKQSA-N -1 3 385.379 3.206 20 0 GGADHM O=C(Nc1ccc(Cl)cc1-c1cccc(Cl)c1)NN1CC(=O)[N-]C1=O ZINC000365317085 566095755 /nfs/dbraw/zinc/09/57/55/566095755.db2.gz RTMXBGUVXUQHDS-UHFFFAOYSA-N -1 3 379.203 3.249 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H](C)O1 ZINC000416612514 566096021 /nfs/dbraw/zinc/09/60/21/566096021.db2.gz ZBRCVGNTZOPZJB-OPRDCNLKSA-N -1 3 382.707 3.194 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000416619371 566096204 /nfs/dbraw/zinc/09/62/04/566096204.db2.gz FKKWMUJTXJJNGR-ZDUSSCGKSA-N -1 3 393.933 3.236 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000416613108 566096662 /nfs/dbraw/zinc/09/66/62/566096662.db2.gz FFEQSLQBUYZSKV-SECBINFHSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC(F)(F)[C@@H]1O)c1cc(C(F)(F)F)ccc1Cl ZINC000416622323 566097283 /nfs/dbraw/zinc/09/72/83/566097283.db2.gz JQMVSSJHRGBJFX-GXSJLCMTSA-N -1 3 393.761 3.186 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccnc1 ZINC000416630419 566098459 /nfs/dbraw/zinc/09/84/59/566098459.db2.gz JECZVAJHUHTMFE-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cccnc1 ZINC000416629998 566098664 /nfs/dbraw/zinc/09/86/64/566098664.db2.gz IISXBRGEOPBSFN-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccncc2C)cc1Br ZINC000180907663 566098582 /nfs/dbraw/zinc/09/85/82/566098582.db2.gz ATEUPBPBMILFOI-UHFFFAOYSA-N -1 3 398.282 3.220 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](CC(C)C)OC ZINC000416646161 566099625 /nfs/dbraw/zinc/09/96/25/566099625.db2.gz KUSMOKFMCJNKQR-LBPRGKRZSA-N -1 3 385.507 3.027 20 0 GGADHM CC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1F ZINC000416642973 566099642 /nfs/dbraw/zinc/09/96/42/566099642.db2.gz GQEACSCQSBNFLA-KOHJWAIASA-N -1 3 381.391 3.496 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](CC(C)C)OC ZINC000416646158 566099691 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3.043 20 0 GGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000289126326 566108351 /nfs/dbraw/zinc/10/83/51/566108351.db2.gz IZYVBHNARDKWOC-RDJZCZTQSA-N -1 3 383.901 3.067 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1OC ZINC000252480136 566114438 /nfs/dbraw/zinc/11/44/38/566114438.db2.gz BWMQMQCVGMCHGC-UHFFFAOYSA-N -1 3 375.899 3.248 20 0 GGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(I)cc1)C(=O)[O-] ZINC000417589532 566165981 /nfs/dbraw/zinc/16/59/81/566165981.db2.gz VEOMKTQCIGVNNE-MFKMUULPSA-N -1 3 391.249 3.038 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1F)c1cnc(Cl)c(Br)c1 ZINC000253418973 566118623 /nfs/dbraw/zinc/11/86/23/566118623.db2.gz GAAXYUQAXYCBME-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)/C=C/c3cccc(Cl)c3)n2)CC1 ZINC000365810989 566119592 /nfs/dbraw/zinc/11/95/92/566119592.db2.gz ARNYWLWISZNSAC-XYOKQWHBSA-N -1 3 380.901 3.216 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)s1 ZINC000289385285 566119826 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GGADHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000289506652 566126646 /nfs/dbraw/zinc/12/66/46/566126646.db2.gz LIZFWNVEKJFUOG-VIFPVBQESA-N -1 3 394.280 3.341 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3cccs3)C2)c1F ZINC000181255014 566127355 /nfs/dbraw/zinc/12/73/55/566127355.db2.gz WEUVVMQJSDFKLK-OAHLLOKOSA-N -1 3 382.526 3.386 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2C)c1F ZINC000181262067 566128569 /nfs/dbraw/zinc/12/85/69/566128569.db2.gz JJIXMIRRWVGPQF-UHFFFAOYSA-N -1 3 384.860 3.403 20 0 GGADHM [O-]C(=NOC/C=C\Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000289629066 566132951 /nfs/dbraw/zinc/13/29/51/566132951.db2.gz WWKOZONAAKOHTO-RJRFIUFISA-N -1 3 379.766 3.348 20 0 GGADHM O=C([N-]OC/C=C\Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000289629066 566132953 /nfs/dbraw/zinc/13/29/53/566132953.db2.gz WWKOZONAAKOHTO-RJRFIUFISA-N -1 3 379.766 3.348 20 0 GGADHM COCCN(Cc1ccccn1)Cc1ccc(OC)c([O-])c1Br ZINC000289720121 566136985 /nfs/dbraw/zinc/13/69/85/566136985.db2.gz HDFRTOQVKJDORR-UHFFFAOYSA-N -1 3 381.270 3.207 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1cccs1 ZINC000289737690 566137401 /nfs/dbraw/zinc/13/74/01/566137401.db2.gz FRYXWCWJBDIIIK-MRXNPFEDSA-N -1 3 380.491 3.069 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2ccn(-c3ccc(Cl)cc3Cl)n2)on1 ZINC000611592192 566138110 /nfs/dbraw/zinc/13/81/10/566138110.db2.gz JRMZZNHMVGOFSE-UHFFFAOYSA-N -1 3 381.175 3.206 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)n[n-]1 ZINC000611593414 566138216 /nfs/dbraw/zinc/13/82/16/566138216.db2.gz KLCASJSEFCTJMO-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)[n-]n1 ZINC000611593414 566138217 /nfs/dbraw/zinc/13/82/17/566138217.db2.gz KLCASJSEFCTJMO-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCc1cnc(S(=O)(=O)CCCc2ccc(Br)cc2OC)[n-]1 ZINC000181443174 566141163 /nfs/dbraw/zinc/14/11/63/566141163.db2.gz FUEKHQZFPZNXRZ-UHFFFAOYSA-N -1 3 387.299 3.150 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)CCCc2ccc(Br)cc2OC)n1 ZINC000181443174 566141164 /nfs/dbraw/zinc/14/11/64/566141164.db2.gz FUEKHQZFPZNXRZ-UHFFFAOYSA-N -1 3 387.299 3.150 20 0 GGADHM CCn1c2cc(Br)ccc2nc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000181489898 566144685 /nfs/dbraw/zinc/14/46/85/566144685.db2.gz NFCPSYWVLDPHPS-UHFFFAOYSA-N -1 3 385.225 3.342 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c1Cl ZINC000289895300 566145325 /nfs/dbraw/zinc/14/53/25/566145325.db2.gz PIFNSFWLIJAVGN-UHFFFAOYSA-N -1 3 390.170 3.182 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181592239 566150643 /nfs/dbraw/zinc/15/06/43/566150643.db2.gz CBEHFWDCYWGTKU-ZBFHGGJFSA-N -1 3 387.288 3.338 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181592272 566151875 /nfs/dbraw/zinc/15/18/75/566151875.db2.gz CBEHFWDCYWGTKU-HOCLYGCPSA-N -1 3 387.288 3.338 20 0 GGADHM COc1ccc(CNCCc2nc(C)c(C(=O)[O-])s2)c(Br)c1 ZINC000417544152 566155195 /nfs/dbraw/zinc/15/51/95/566155195.db2.gz HBXRJYXNFVLHMM-UHFFFAOYSA-N -1 3 385.283 3.253 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@](CO)(C(C)C)C2)cc(Br)c1[O-] ZINC000366499192 566155230 /nfs/dbraw/zinc/15/52/30/566155230.db2.gz DVADAVVLCJAWLJ-WRFKIARRSA-N -1 3 398.297 3.044 20 0 GGADHM Cc1cc(Br)c(CN[C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])s1 ZINC000417561761 566157705 /nfs/dbraw/zinc/15/77/05/566157705.db2.gz BQBZMZLMROMEIG-LBPRGKRZSA-N -1 3 398.278 3.333 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1cc(Br)cc2c1OCC2 ZINC000262727074 566158737 /nfs/dbraw/zinc/15/87/37/566158737.db2.gz ZTQAHYCDFUEYFA-INIZCTEOSA-N -1 3 376.250 3.170 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1Br ZINC000366575593 566159750 /nfs/dbraw/zinc/15/97/50/566159750.db2.gz FZOKUKGAMWBPKT-DGCLKSJQSA-N -1 3 394.718 3.338 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1F ZINC000181731697 566162069 /nfs/dbraw/zinc/16/20/69/566162069.db2.gz CXDGYAKCIBUJKN-UHFFFAOYSA-N -1 3 379.331 3.418 20 0 GGADHM CCOc1c(Br)cc(Br)cc1CNC[C@@H](C)C(=O)[O-] ZINC000417579635 566162368 /nfs/dbraw/zinc/16/23/68/566162368.db2.gz BEUWLPJKHFYZHL-MRVPVSSYSA-N -1 3 395.091 3.421 20 0 GGADHM COc1c(Br)cc(Br)cc1CNC[C@@H](C)C(=O)[O-] ZINC000417580130 566162515 /nfs/dbraw/zinc/16/25/15/566162515.db2.gz CLWIPAUXMGOMMA-SSDOTTSWSA-N -1 3 381.064 3.031 20 0 GGADHM C[C@H](CNCc1cc(Br)ccc1OCc1ccccn1)C(=O)[O-] ZINC000417579354 566162649 /nfs/dbraw/zinc/16/26/49/566162649.db2.gz AOQXRPSXFIUCGH-GFCCVEGCSA-N -1 3 379.254 3.233 20 0 GGADHM COc1cc(Br)c(CNCCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000417583418 566163634 /nfs/dbraw/zinc/16/36/34/566163634.db2.gz KLORMMJVUHPWQI-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cccc(I)c1)C(=O)[O-] ZINC000417583420 566163917 /nfs/dbraw/zinc/16/39/17/566163917.db2.gz KLWCNLMQSMAXJG-MFKMUULPSA-N -1 3 391.249 3.038 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000262866409 566164044 /nfs/dbraw/zinc/16/40/44/566164044.db2.gz UPVCOXJIEQTFSP-SUMWQHHRSA-N -1 3 397.313 3.298 20 0 GGADHM COc1cc(Br)c(CNCCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000417586115 566164456 /nfs/dbraw/zinc/16/44/56/566164456.db2.gz QCAWDWTWTOPYTO-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000417585681 566164745 /nfs/dbraw/zinc/16/47/45/566164745.db2.gz ZSYOGWAWYYOAQM-INIZCTEOSA-N -1 3 379.913 3.492 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc(C(=O)[O-])cc1 ZINC000417584281 566165021 /nfs/dbraw/zinc/16/50/21/566165021.db2.gz MIEKHIVGSILCHR-UHFFFAOYSA-N -1 3 381.881 3.164 20 0 GGADHM CCOC[C@H](NCc1cc(Br)c(C)c(Br)c1)C(=O)[O-] ZINC000417594460 566166010 /nfs/dbraw/zinc/16/60/10/566166010.db2.gz AECVDXUDSVKXFI-LBPRGKRZSA-N -1 3 395.091 3.099 20 0 GGADHM COc1ccc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])c(OC)c1 ZINC000417615687 566166619 /nfs/dbraw/zinc/16/66/19/566166619.db2.gz ADZZMRQXFLZGIY-MRXNPFEDSA-N -1 3 394.265 3.252 20 0 GGADHM CC(C)Cn1cc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417615755 566166677 /nfs/dbraw/zinc/16/66/77/566166677.db2.gz AGLMSFNHAWLQRJ-INIZCTEOSA-N -1 3 380.286 3.087 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000417616008 566166690 /nfs/dbraw/zinc/16/66/90/566166690.db2.gz UUHRXHOXEZARCC-SFYZADRCSA-N -1 3 395.091 3.419 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(Br)cc1)NCc1cccc2c1OCCO2 ZINC000417606780 566166783 /nfs/dbraw/zinc/16/67/83/566166783.db2.gz KUVYSIJCCXEWCE-OAHLLOKOSA-N -1 3 392.249 3.006 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@@H](C)[C@H](C)C(=O)[O-] ZINC000417616009 566167101 /nfs/dbraw/zinc/16/71/01/566167101.db2.gz UUHRXHOXEZARCC-YUMQZZPRSA-N -1 3 395.091 3.419 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cccc(Br)c1F)C(=O)[O-] ZINC000417616123 566167198 /nfs/dbraw/zinc/16/71/98/566167198.db2.gz DCQVHWYRZXJBGY-GFCCVEGCSA-N -1 3 390.249 3.253 20 0 GGADHM COC[C@H](NCc1cc(Br)ccc1OCc1ccccc1)C(=O)[O-] ZINC000417622676 566167873 /nfs/dbraw/zinc/16/78/73/566167873.db2.gz ILCRPHNGNXFZMS-INIZCTEOSA-N -1 3 394.265 3.217 20 0 GGADHM CCCOc1c(Br)cc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1OC ZINC000417627301 566168328 /nfs/dbraw/zinc/16/83/28/566168328.db2.gz UORLXPNPVOEQDO-CHWSQXEVSA-N -1 3 384.270 3.365 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000417622073 566168618 /nfs/dbraw/zinc/16/86/18/566168618.db2.gz LJDBZDCPQXJAPZ-CYBMUJFWSA-N -1 3 390.249 3.253 20 0 GGADHM CO[C@@H](CNCc1cc(Br)ccc1OCc1ccccc1)C(=O)[O-] ZINC000417626117 566168865 /nfs/dbraw/zinc/16/88/65/566168865.db2.gz MSPCQTNANUPQKC-KRWDZBQOSA-N -1 3 394.265 3.217 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000417628537 566168998 /nfs/dbraw/zinc/16/89/98/566168998.db2.gz VARBHOKVFYQHHI-CYBMUJFWSA-N -1 3 390.249 3.253 20 0 GGADHM O=C([O-])CNC(=O)CCNCc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000417643063 566169714 /nfs/dbraw/zinc/16/97/14/566169714.db2.gz YPBRWYFBGNTRSA-UHFFFAOYSA-N -1 3 387.288 3.402 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1Br)NCc1cccc2c1OCCO2 ZINC000417637857 566169927 /nfs/dbraw/zinc/16/99/27/566169927.db2.gz ZJSOVSJCUCHMQY-HNNXBMFYSA-N -1 3 392.249 3.006 20 0 GGADHM O=C([O-])C[C@@H](CNCc1cc(Br)cc2c1OCC2)C(F)(F)F ZINC000417637223 566170183 /nfs/dbraw/zinc/17/01/83/566170183.db2.gz YVTPXKXSPQOVPA-JTQLQIEISA-N -1 3 382.176 3.127 20 0 GGADHM O=C([O-])[C@@H]1CC(=O)N(CCNCc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000417634231 566170256 /nfs/dbraw/zinc/17/02/56/566170256.db2.gz VFKJSGQMHFLWQI-CYBMUJFWSA-N -1 3 378.881 3.091 20 0 GGADHM Cc1nscc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000181879970 566170595 /nfs/dbraw/zinc/17/05/95/566170595.db2.gz QJIUUUMRRIXZLH-UHFFFAOYSA-N -1 3 378.255 3.106 20 0 GGADHM COc1cc(Br)ccc1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000181875155 566171024 /nfs/dbraw/zinc/17/10/24/566171024.db2.gz UVNWLOXMQDFYCT-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1cc(Br)ccc1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000181875155 566171032 /nfs/dbraw/zinc/17/10/32/566171032.db2.gz UVNWLOXMQDFYCT-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1cc(Br)ccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181875155 566171037 /nfs/dbraw/zinc/17/10/37/566171037.db2.gz UVNWLOXMQDFYCT-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(CCSc2ccc(Cl)cc2)CC1 ZINC000263015900 566171290 /nfs/dbraw/zinc/17/12/90/566171290.db2.gz ZIRARPXWODPRJC-MRXNPFEDSA-N -1 3 384.929 3.220 20 0 GGADHM O=c1[n-]nc(SCCCc2ccccc2Br)n1C[C@H]1CCCO1 ZINC000181896696 566171620 /nfs/dbraw/zinc/17/16/20/566171620.db2.gz HZLQLZDQHFPUOS-CYBMUJFWSA-N -1 3 398.326 3.238 20 0 GGADHM C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1csc(=O)[n-]1 ZINC000366819373 566171847 /nfs/dbraw/zinc/17/18/47/566171847.db2.gz AFNASCNUCPFOAR-RNCFNFMXSA-N -1 3 383.267 3.213 20 0 GGADHM O=C([O-])[C@H](CC1CCC1)NCc1ccc(F)cc1I ZINC000417702696 566172197 /nfs/dbraw/zinc/17/21/97/566172197.db2.gz KRDJPJQPUDCXCU-ZDUSSCGKSA-N -1 3 377.197 3.163 20 0 GGADHM O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290470482 566174149 /nfs/dbraw/zinc/17/41/49/566174149.db2.gz WBOATAMVKQPJFZ-CYBMUJFWSA-N -1 3 376.806 3.190 20 0 GGADHM Cc1nscc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000181950928 566174639 /nfs/dbraw/zinc/17/46/39/566174639.db2.gz ZWZGEBZQGWPVLG-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCc1ccccc1Br ZINC000181943634 566174931 /nfs/dbraw/zinc/17/49/31/566174931.db2.gz FWSLIADALCIIDZ-UHFFFAOYSA-N -1 3 397.294 3.352 20 0 GGADHM Cc1nn2c(nnc2SCCCc2ccccc2Br)[n-]c1=O ZINC000182039709 566179696 /nfs/dbraw/zinc/17/96/96/566179696.db2.gz DDPCGGPYUJICGL-UHFFFAOYSA-N -1 3 380.271 3.021 20 0 GGADHM O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(O)cc1[O-] ZINC000182156242 566186694 /nfs/dbraw/zinc/18/66/94/566186694.db2.gz GQPWPAQLWKQGLU-LBPRGKRZSA-N -1 3 391.265 3.117 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000263521380 566188704 /nfs/dbraw/zinc/18/87/04/566188704.db2.gz RDALEUQRTSEMSR-LLVKDONJSA-N -1 3 380.286 3.404 20 0 GGADHM O=C([O-])[C@H]1CCCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000263578073 566191819 /nfs/dbraw/zinc/19/18/19/566191819.db2.gz SFSKRZFJCXGEDR-OAHLLOKOSA-N -1 3 376.254 3.345 20 0 GGADHM Cc1ccc([C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@H](C)S(C)(=O)=O)cc1 ZINC000290888832 566194726 /nfs/dbraw/zinc/19/47/26/566194726.db2.gz MUHDVOWYDTXGPJ-SJCJKPOMSA-N -1 3 381.881 3.258 20 0 GGADHM Cc1ccc([C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC000290888836 566194816 /nfs/dbraw/zinc/19/48/16/566194816.db2.gz MUHDVOWYDTXGPJ-SJKOYZFVSA-N -1 3 381.881 3.258 20 0 GGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@H]1[C@H]1CCCO1 ZINC000290887068 566194965 /nfs/dbraw/zinc/19/49/65/566194965.db2.gz BIVYTZOMARRYMG-CABCVRRESA-N -1 3 383.286 3.254 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(OCC(F)(F)F)nc1 ZINC000182363743 566200010 /nfs/dbraw/zinc/20/00/10/566200010.db2.gz JJMQGTHHLBHDRV-UHFFFAOYSA-N -1 3 386.273 3.241 20 0 GGADHM COc1cc(C(=O)[N-]c2nc(SC)ns2)cc(OC)c1Br ZINC000263936338 566201562 /nfs/dbraw/zinc/20/15/62/566201562.db2.gz FBGVIFBDNDBRKB-UHFFFAOYSA-N -1 3 390.284 3.292 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1nc(C)cs1 ZINC000264324168 566211182 /nfs/dbraw/zinc/21/11/82/566211182.db2.gz QLARFNRWTBGVJF-NSHDSACASA-N -1 3 376.301 3.039 20 0 GGADHM O=C(C[C@@H]1COCCN1C(=O)Cc1ccc([O-])cc1Cl)c1cccs1 ZINC000182580511 566213670 /nfs/dbraw/zinc/21/36/70/566213670.db2.gz OHGYTLSHDXVXBR-CYBMUJFWSA-N -1 3 379.865 3.150 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2sccc2SC)s1 ZINC000264380116 566214151 /nfs/dbraw/zinc/21/41/51/566214151.db2.gz NQJZGAJVANOBEB-UHFFFAOYSA-N -1 3 375.522 3.229 20 0 GGADHM CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000264473071 566216068 /nfs/dbraw/zinc/21/60/68/566216068.db2.gz VHTZBGIKYNRQMV-GFCCVEGCSA-N -1 3 380.491 3.090 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sccc2SC)cc1OC ZINC000264456484 566216217 /nfs/dbraw/zinc/21/62/17/566216217.db2.gz PJAZEUPTNVLSOB-UHFFFAOYSA-N -1 3 386.520 3.493 20 0 GGADHM O=C([N-]c1cc(Br)c(F)cc1F)c1cc(Cn2cccn2)on1 ZINC000367797884 566216899 /nfs/dbraw/zinc/21/68/99/566216899.db2.gz MXVJMNGUPYLFIS-UHFFFAOYSA-N -1 3 383.152 3.212 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nnc2n1CCCCC2 ZINC000264545230 566217743 /nfs/dbraw/zinc/21/77/43/566217743.db2.gz NWJKFGSIYCRDLJ-CYBMUJFWSA-N -1 3 386.880 3.227 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nnc2n1CCCCC2 ZINC000264600240 566219141 /nfs/dbraw/zinc/21/91/41/566219141.db2.gz ZGQUYUKAYXXBCB-ZDUSSCGKSA-N -1 3 386.880 3.227 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nnc2n1CCCCC2 ZINC000264589677 566219207 /nfs/dbraw/zinc/21/92/07/566219207.db2.gz XOKYOBZFHSGIBS-LBPRGKRZSA-N -1 3 386.880 3.227 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)C2CC2)s1 ZINC000182704046 566220352 /nfs/dbraw/zinc/22/03/52/566220352.db2.gz IIZUHOZQEBKEJD-HNNXBMFYSA-N -1 3 382.555 3.350 20 0 GGADHM COC(=O)c1sccc1[N-]C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F ZINC000264678642 566221316 /nfs/dbraw/zinc/22/13/16/566221316.db2.gz YWNAACWJCNWSPU-UHFFFAOYSA-N -1 3 385.438 3.108 20 0 GGADHM C[C@H]1CC(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C[C@@H](C)C1 ZINC000182746490 566222350 /nfs/dbraw/zinc/22/23/50/566222350.db2.gz JPPQNWOTVHKFAJ-YIONKMFJSA-N -1 3 384.567 3.090 20 0 GGADHM COc1cc(Br)ccc1CCCSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000182903441 566228917 /nfs/dbraw/zinc/22/89/17/566228917.db2.gz BDPBMDPQDNBIEA-UHFFFAOYSA-N -1 3 395.282 3.142 20 0 GGADHM Cc1cc(Br)c([O-])c(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000182904203 566228943 /nfs/dbraw/zinc/22/89/43/566228943.db2.gz OOLJZROJUGETDJ-UHFFFAOYSA-N -1 3 397.313 3.437 20 0 GGADHM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000182927766 566230390 /nfs/dbraw/zinc/23/03/90/566230390.db2.gz HMTAHANYHPGHPV-HNNXBMFYSA-N -1 3 383.286 3.045 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc2c(c1)SCC(=O)N2 ZINC000368154076 566231671 /nfs/dbraw/zinc/23/16/71/566231671.db2.gz WPUNFVJFSMSWJH-UHFFFAOYSA-N -1 3 379.235 3.451 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1nccs1 ZINC000182946511 566232016 /nfs/dbraw/zinc/23/20/16/566232016.db2.gz OWRVWPXGORSLBH-ZDUSSCGKSA-N -1 3 395.428 3.083 20 0 GGADHM C[C@H]1CCc2c(sc3[nH]c(CCC(=O)[N-]OC/C=C/Cl)nc(=O)c23)C1 ZINC000291744942 566233062 /nfs/dbraw/zinc/23/30/62/566233062.db2.gz 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CCCc1ncc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)s1 ZINC000266104504 566246107 /nfs/dbraw/zinc/24/61/07/566246107.db2.gz SIBOVZSTGNEQNL-UHFFFAOYSA-N -1 3 383.495 3.118 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000183418641 566246535 /nfs/dbraw/zinc/24/65/35/566246535.db2.gz JFUBEDSAZKEKQH-SECBINFHSA-N -1 3 389.246 3.031 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000266189069 566246698 /nfs/dbraw/zinc/24/66/98/566246698.db2.gz UINRGBUNIWQIFN-FZMZJTMJSA-N -1 3 384.910 3.042 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000183455386 566247328 /nfs/dbraw/zinc/24/73/28/566247328.db2.gz OUTULADHAAXAIL-UHFFFAOYSA-N -1 3 378.263 3.064 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2csc(C)n2)s1 ZINC000266230163 566247518 /nfs/dbraw/zinc/24/75/18/566247518.db2.gz ROJDUHQPXQECLH-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c(Cl)c1Cl ZINC000266241156 566247379 /nfs/dbraw/zinc/24/73/79/566247379.db2.gz 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3.423 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000462129110 566252605 /nfs/dbraw/zinc/25/26/05/566252605.db2.gz ZMJHOOHSSDAHJI-ZDUSSCGKSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000462131415 566253048 /nfs/dbraw/zinc/25/30/48/566253048.db2.gz AOCIEWKULVAAJF-HUUCEWRRSA-N -1 3 381.295 3.459 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1Cl ZINC000462141447 566254175 /nfs/dbraw/zinc/25/41/75/566254175.db2.gz RYLQZZRMGWDSQY-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3ccc(Br)cc3)CC2)n[n-]1 ZINC000444820067 566254248 /nfs/dbraw/zinc/25/42/48/566254248.db2.gz ULJIVSYIQNKFKZ-UHFFFAOYSA-N -1 3 393.285 3.124 20 0 GGADHM O=C(CNC(=O)CC1CCCC1)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419950516 566254978 /nfs/dbraw/zinc/25/49/78/566254978.db2.gz MGLVABDFJHVYCV-UHFFFAOYSA-N -1 3 396.241 3.332 20 0 GGADHM CC(C)[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000555865544 566255162 /nfs/dbraw/zinc/25/51/62/566255162.db2.gz NCXAXIMHLMJLJR-GFCCVEGCSA-N -1 3 375.281 3.359 20 0 GGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462152310 566255782 /nfs/dbraw/zinc/25/57/82/566255782.db2.gz SODQBMAFPHHXMU-LLVKDONJSA-N -1 3 381.325 3.155 20 0 GGADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccnc(C)c3)ccc2s1 ZINC000481819447 566255880 /nfs/dbraw/zinc/25/58/80/566255880.db2.gz YXUPKYUZHKCJME-UHFFFAOYSA-N -1 3 376.459 3.004 20 0 GGADHM O=S(=O)([N-]CCCc1nc2c(s1)CCCC2)c1cc(F)c(F)c(F)c1 ZINC000462150638 566256110 /nfs/dbraw/zinc/25/61/10/566256110.db2.gz KJPDLWFQAGUIJF-UHFFFAOYSA-N -1 3 390.452 3.350 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000462149905 566256125 /nfs/dbraw/zinc/25/61/25/566256125.db2.gz JZPMQRNUNMBBCT-CTYIDZIISA-N -1 3 398.326 3.451 20 0 GGADHM CCC[C@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)OCC ZINC000599367612 566256664 /nfs/dbraw/zinc/25/66/64/566256664.db2.gz KEVYNLAUXYNPTM-GFCCVEGCSA-N -1 3 385.507 3.171 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cnc(-c2ccco2)s1 ZINC000509057355 566257104 /nfs/dbraw/zinc/25/71/04/566257104.db2.gz NZJFCPVJWHNBSQ-UHFFFAOYSA-N -1 3 389.234 3.488 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)cs1 ZINC000462155692 566257740 /nfs/dbraw/zinc/25/77/40/566257740.db2.gz FYPHIONLPKLSQN-UHFFFAOYSA-N -1 3 395.369 3.359 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)ccc1C ZINC000481860701 566257787 /nfs/dbraw/zinc/25/77/87/566257787.db2.gz CHQHLLHJBQZCKE-UHFFFAOYSA-N -1 3 381.837 3.171 20 0 GGADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000481875053 566258980 /nfs/dbraw/zinc/25/89/80/566258980.db2.gz ZZZARTJGSPSPFX-UHFFFAOYSA-N -1 3 381.837 3.003 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000509091181 566260911 /nfs/dbraw/zinc/26/09/11/566260911.db2.gz ZDDLZWYKJOKBCS-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM CCCn1c(=O)[n-]nc1SCc1cc(Br)ccc1C(=O)OC ZINC000509091242 566260959 /nfs/dbraw/zinc/26/09/59/566260959.db2.gz ZNNQQRZCCXORIG-UHFFFAOYSA-N -1 3 386.271 3.235 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000509076658 566261189 /nfs/dbraw/zinc/26/11/89/566261189.db2.gz XCQBVJSXOOZCBO-CYBMUJFWSA-N -1 3 377.491 3.377 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCN1C ZINC000481902167 566261562 /nfs/dbraw/zinc/26/15/62/566261562.db2.gz GOKIQRWXUSVYGP-NXEZZACHSA-N -1 3 383.880 3.024 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1C ZINC000481888922 566261675 /nfs/dbraw/zinc/26/16/75/566261675.db2.gz ZGMKNKODNGPKPA-UHFFFAOYSA-N -1 3 381.837 3.171 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccncc1Br ZINC000481900554 566262032 /nfs/dbraw/zinc/26/20/32/566262032.db2.gz OSXABJBWTPRBNC-UHFFFAOYSA-N -1 3 395.200 3.394 20 0 GGADHM Cc1cc(CCC(=O)NCc2nnc(C(F)(F)F)[n-]2)ccc1Br ZINC000481917925 566262651 /nfs/dbraw/zinc/26/26/51/566262651.db2.gz ZWIFNYMWNJQUGI-UHFFFAOYSA-N -1 3 391.191 3.143 20 0 GGADHM Cc1cc(CCC(=O)NCc2n[n-]c(C(F)(F)F)n2)ccc1Br ZINC000481917925 566262659 /nfs/dbraw/zinc/26/26/59/566262659.db2.gz ZWIFNYMWNJQUGI-UHFFFAOYSA-N -1 3 391.191 3.143 20 0 GGADHM Cc1cc(CCC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC000481917925 566262667 /nfs/dbraw/zinc/26/26/67/566262667.db2.gz ZWIFNYMWNJQUGI-UHFFFAOYSA-N -1 3 391.191 3.143 20 0 GGADHM Cc1nn(C)c(C)c1[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(F)(F)F ZINC000509108239 566263343 /nfs/dbraw/zinc/26/33/43/566263343.db2.gz BLTFPKPDZAWEIS-OAHLLOKOSA-N -1 3 375.778 3.358 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)cc1F ZINC000445029965 566263908 /nfs/dbraw/zinc/26/39/08/566263908.db2.gz DNYREBOBFBDVIX-LBPRGKRZSA-N -1 3 383.466 3.071 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3cncc(OC(C)C)c3)CCCC2)n1 ZINC000624969611 566264077 /nfs/dbraw/zinc/26/40/77/566264077.db2.gz ZHDGHCFXGIPSNB-UHFFFAOYSA-N -1 3 381.523 3.382 20 0 GGADHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000534903006 566264187 /nfs/dbraw/zinc/26/41/87/566264187.db2.gz LMTRKFSPQLEVOJ-VIFPVBQESA-N -1 3 383.825 3.030 20 0 GGADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2OCC(F)F)s1 ZINC000624986788 566264691 /nfs/dbraw/zinc/26/46/91/566264691.db2.gz YFIXOOFTLVNXMQ-JTQLQIEISA-N -1 3 376.450 3.005 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Br)c1Cl ZINC000481930586 566265208 /nfs/dbraw/zinc/26/52/08/566265208.db2.gz GHBNGRXDZDAKTF-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Br)c1Cl ZINC000481930586 566265213 /nfs/dbraw/zinc/26/52/13/566265213.db2.gz GHBNGRXDZDAKTF-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Br)c1Cl ZINC000481930586 566265221 /nfs/dbraw/zinc/26/52/21/566265221.db2.gz GHBNGRXDZDAKTF-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)s1 ZINC000625023941 566266600 /nfs/dbraw/zinc/26/66/00/566266600.db2.gz UKULAEHFPBSEAZ-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cccnc1OCC(F)F)c1nc(C)cs1 ZINC000625015091 566267046 /nfs/dbraw/zinc/26/70/46/566267046.db2.gz CZGFOPHCZAMNBO-OAHLLOKOSA-N -1 3 391.465 3.094 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCCN1C ZINC000481933868 566267126 /nfs/dbraw/zinc/26/71/26/566267126.db2.gz RUXZPHPAWXFBHH-BXKDBHETSA-N -1 3 383.880 3.024 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2Cl)s1 ZINC000556076492 566268638 /nfs/dbraw/zinc/26/86/38/566268638.db2.gz LRWYUZYUJNBGKK-UHFFFAOYSA-N -1 3 379.290 3.492 20 0 GGADHM COc1cc([N-]C(=O)c2cc(-c3ccccn3)no2)ncc1Br ZINC000534999659 566268965 /nfs/dbraw/zinc/26/89/65/566268965.db2.gz DBVDHLOOGWSENN-UHFFFAOYSA-N -1 3 375.182 3.155 20 0 GGADHM COc1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)ncc1Br ZINC000534998659 566269479 /nfs/dbraw/zinc/26/94/79/566269479.db2.gz UCJCZHBAUGKQMI-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)ncc1Br ZINC000534998659 566269487 /nfs/dbraw/zinc/26/94/87/566269487.db2.gz UCJCZHBAUGKQMI-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1C(F)(F)F ZINC000481963451 566270740 /nfs/dbraw/zinc/27/07/40/566270740.db2.gz SKQXABUMRZWGCO-UHFFFAOYSA-N -1 3 395.200 3.394 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000625065097 566272675 /nfs/dbraw/zinc/27/26/75/566272675.db2.gz UQMKVMAMUSSIKP-ZLKJLUDKSA-N -1 3 392.290 3.133 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)s1 ZINC000462274722 566273248 /nfs/dbraw/zinc/27/32/48/566273248.db2.gz DXSQIHRPJZYMLI-NSHDSACASA-N -1 3 393.372 3.114 20 0 GGADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000556184060 566273764 /nfs/dbraw/zinc/27/37/64/566273764.db2.gz PXNXQYUGNLJZBO-JBLDHEPKSA-N -1 3 386.876 3.295 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(Br)cn2)n1 ZINC000462287773 566275235 /nfs/dbraw/zinc/27/52/35/566275235.db2.gz KJHCPEDAKDHJMW-UHFFFAOYSA-N -1 3 390.328 3.077 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1nc(C)cs1 ZINC000462291919 566276733 /nfs/dbraw/zinc/27/67/33/566276733.db2.gz GRADZMVHIRTLMU-JTQLQIEISA-N -1 3 376.301 3.039 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462292117 566276817 /nfs/dbraw/zinc/27/68/17/566276817.db2.gz WHQMKDBNAYTHJE-UHFFFAOYSA-N -1 3 382.898 3.078 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1nc(C)cs1 ZINC000462294463 566276858 /nfs/dbraw/zinc/27/68/58/566276858.db2.gz KSLMLZZALDEVJN-ZDUSSCGKSA-N -1 3 388.898 3.321 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1nc(C)cs1 ZINC000462294460 566277211 /nfs/dbraw/zinc/27/72/11/566277211.db2.gz KSLMLZZALDEVJN-CYBMUJFWSA-N -1 3 388.898 3.321 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)s1 ZINC000462300663 566278402 /nfs/dbraw/zinc/27/84/02/566278402.db2.gz WBPOWMBTBHGSMC-AWEZNQCLSA-N -1 3 387.523 3.325 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC(C)(C)C)cc1F ZINC000462297829 566278585 /nfs/dbraw/zinc/27/85/85/566278585.db2.gz PIDHUJFCXOAWRG-UHFFFAOYSA-N -1 3 394.534 3.034 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCCOc1ccccc1 ZINC000482055197 566278937 /nfs/dbraw/zinc/27/89/37/566278937.db2.gz XXUZNICZFRIVGI-UHFFFAOYSA-N -1 3 389.253 3.109 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCC1(C(F)(F)F)CCC1 ZINC000482045962 566279066 /nfs/dbraw/zinc/27/90/66/566279066.db2.gz HWBIOGKNHISTED-UHFFFAOYSA-N -1 3 391.191 3.373 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000482053366 566279368 /nfs/dbraw/zinc/27/93/68/566279368.db2.gz USFZJHRTPAEPAD-CYBMUJFWSA-N -1 3 389.257 3.001 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000462312677 566279447 /nfs/dbraw/zinc/27/94/47/566279447.db2.gz KIICSGUEGJSZTI-CABCVRRESA-N -1 3 388.555 3.038 20 0 GGADHM COc1nc(-c2noc(/C=C/c3cccc([O-])c3)n2)ncc1Br ZINC000445295796 566280990 /nfs/dbraw/zinc/28/09/90/566280990.db2.gz DMASCTXJKDYLKJ-AATRIKPKSA-N -1 3 375.182 3.174 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000482068672 566281077 /nfs/dbraw/zinc/28/10/77/566281077.db2.gz AQSFDDSXIBKZNG-CABCVRRESA-N -1 3 389.228 3.335 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000482068674 566281151 /nfs/dbraw/zinc/28/11/51/566281151.db2.gz AQSFDDSXIBKZNG-HUUCEWRRSA-N -1 3 389.228 3.335 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C12CCC2 ZINC000462318963 566281335 /nfs/dbraw/zinc/28/13/35/566281335.db2.gz GERBINVBYLKDHJ-KGLIPLIRSA-N -1 3 392.290 3.214 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000482073794 566281748 /nfs/dbraw/zinc/28/17/48/566281748.db2.gz KLPHOBAVWAZEQY-CYBMUJFWSA-N -1 3 393.285 3.132 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C12CCC2 ZINC000462318973 566281778 /nfs/dbraw/zinc/28/17/78/566281778.db2.gz GERBINVBYLKDHJ-ZIAGYGMSSA-N -1 3 392.290 3.214 20 0 GGADHM C[C@@H](OCCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431413 566282333 /nfs/dbraw/zinc/28/23/33/566282333.db2.gz VVEJUBQNVSKYIL-LLVKDONJSA-N -1 3 375.778 3.107 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000535159323 566282370 /nfs/dbraw/zinc/28/23/70/566282370.db2.gz TZUPWFUZFHSKTF-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000648431236 566282805 /nfs/dbraw/zinc/28/28/05/566282805.db2.gz NKKZPYGDJRHMFS-PELKAZGASA-N -1 3 393.818 3.471 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C12CCC2 ZINC000462321697 566282892 /nfs/dbraw/zinc/28/28/92/566282892.db2.gz NWRSGSMCKJDSJH-UWVGGRQHSA-N -1 3 380.329 3.137 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C12CCC2 ZINC000462327223 566283115 /nfs/dbraw/zinc/28/31/15/566283115.db2.gz NNEWIHXTUBPLFY-KBPBESRZSA-N -1 3 392.290 3.214 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)CC2CCCCC2)CCCN1c1ccccc1Cl ZINC000462322681 566283119 /nfs/dbraw/zinc/28/31/19/566283119.db2.gz ZLOBXDDMKQTQDU-INIZCTEOSA-N -1 3 384.929 3.335 20 0 GGADHM CCOc1ccc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000482104652 566283062 /nfs/dbraw/zinc/28/30/62/566283062.db2.gz PESURBVPRKYIBR-UHFFFAOYSA-N -1 3 389.253 3.239 20 0 GGADHM CC(C)C[C@H]1C[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482084463 566283195 /nfs/dbraw/zinc/28/31/95/566283195.db2.gz PDZCMZDYXIPXJS-ZFWWWQNUSA-N -1 3 395.301 3.234 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482084461 566283214 /nfs/dbraw/zinc/28/32/14/566283214.db2.gz PDZCMZDYXIPXJS-HIFRSBDPSA-N -1 3 395.301 3.234 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1 ZINC000535157620 566283407 /nfs/dbraw/zinc/28/34/07/566283407.db2.gz IYVFUEQYUIQJQV-MRXNPFEDSA-N -1 3 385.844 3.023 20 0 GGADHM CSc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)o1 ZINC000669090238 566284309 /nfs/dbraw/zinc/28/43/09/566284309.db2.gz GFQVQTZLBMIKSY-UHFFFAOYSA-N -1 3 384.454 3.142 20 0 GGADHM COc1ccccc1C(C)(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432672 566284419 /nfs/dbraw/zinc/28/44/19/566284419.db2.gz DQEXZOYRYDIMDP-UHFFFAOYSA-N -1 3 375.778 3.446 20 0 GGADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625154189 566284795 /nfs/dbraw/zinc/28/47/95/566284795.db2.gz TWLPRXDLCOPIFG-SECBINFHSA-N -1 3 376.347 3.125 20 0 GGADHM CC(C)(Oc1ccc(F)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433537 566284717 /nfs/dbraw/zinc/28/47/17/566284717.db2.gz CVQJWUMBORKSRP-UHFFFAOYSA-N -1 3 379.741 3.456 20 0 GGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113539 566284655 /nfs/dbraw/zinc/28/46/55/566284655.db2.gz LJTMXHPVMBBPBR-KCJUWKMLSA-N -1 3 391.191 3.323 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1(Cc2ccccc2)CC1 ZINC000482115042 566284802 /nfs/dbraw/zinc/28/48/02/566284802.db2.gz RISMWRXWTBWVGC-UHFFFAOYSA-N -1 3 385.265 3.416 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000462328635 566284913 /nfs/dbraw/zinc/28/49/13/566284913.db2.gz SKCQZGXQLKISSL-VXGBXAGGSA-N -1 3 394.356 3.445 20 0 GGADHM CC(C)COc1ncccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433332 566285135 /nfs/dbraw/zinc/28/51/35/566285135.db2.gz YAUXDENYMFGCIW-UHFFFAOYSA-N -1 3 376.766 3.203 20 0 GGADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nc2ccccc2[nH]1 ZINC000482128008 566285011 /nfs/dbraw/zinc/28/50/11/566285011.db2.gz FVTTVUXEELUVMQ-SNVBAGLBSA-N -1 3 399.252 3.278 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCc2ccccc2C1 ZINC000482111586 566285055 /nfs/dbraw/zinc/28/50/55/566285055.db2.gz DKXLBRLRRJIPON-UHFFFAOYSA-N -1 3 385.265 3.499 20 0 GGADHM COCC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccco1 ZINC000482115098 566285071 /nfs/dbraw/zinc/28/50/71/566285071.db2.gz RYUMGBWGTBAZHI-CYBMUJFWSA-N -1 3 393.241 3.011 20 0 GGADHM Cc1nn(C)c2sc(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)cc12 ZINC000648433644 566285315 /nfs/dbraw/zinc/28/53/15/566285315.db2.gz ICINPEMINZCUNV-UHFFFAOYSA-N -1 3 377.779 3.030 20 0 GGADHM COc1ccc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000482127955 566285433 /nfs/dbraw/zinc/28/54/33/566285433.db2.gz FOAKKLJOOPMHJM-NSHDSACASA-N -1 3 389.253 3.410 20 0 GGADHM C[C@H](C(=O)N=c1[n-]n(C)cc1Br)c1ccccc1C(F)(F)F ZINC000648439490 566285331 /nfs/dbraw/zinc/28/53/31/566285331.db2.gz QYBPOQRTWYLOOD-QMMMGPOBSA-N -1 3 376.176 3.366 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1csc([C@@H]2CCCO2)n1 ZINC000648432194 566285400 /nfs/dbraw/zinc/28/54/00/566285400.db2.gz SVVRUKSQPCOUTB-VIFPVBQESA-N -1 3 380.779 3.081 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000482115630 566285474 /nfs/dbraw/zinc/28/54/74/566285474.db2.gz VATLMZMBEDRBQV-VIFPVBQESA-N -1 3 391.191 3.325 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCCC2)c(F)c1 ZINC000482116457 566285509 /nfs/dbraw/zinc/28/55/09/566285509.db2.gz YSHOJNXSJRCSPG-UHFFFAOYSA-N -1 3 386.558 3.164 20 0 GGADHM COC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482106945 566285553 /nfs/dbraw/zinc/28/55/53/566285553.db2.gz URZKPQZRULHZQD-OAHLLOKOSA-N -1 3 389.253 3.028 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1SCCc2ccccc21 ZINC000648432665 566285645 /nfs/dbraw/zinc/28/56/45/566285645.db2.gz DODBTLUQQWZKTL-GFCCVEGCSA-N -1 3 375.803 3.490 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000482115629 566285595 /nfs/dbraw/zinc/28/55/95/566285595.db2.gz VATLMZMBEDRBQV-SECBINFHSA-N -1 3 391.191 3.325 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)C1 ZINC000625155818 566285725 /nfs/dbraw/zinc/28/57/25/566285725.db2.gz USMMXOVTGRTSIW-UHFFFAOYSA-N -1 3 394.306 3.380 20 0 GGADHM CCOc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1OC ZINC000648433894 566285660 /nfs/dbraw/zinc/28/56/60/566285660.db2.gz SUFYYJNNFXDFSI-UHFFFAOYSA-N -1 3 377.750 3.180 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)n1 ZINC000625168552 566285768 /nfs/dbraw/zinc/28/57/68/566285768.db2.gz FVKLGPOHZOTXCI-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM COCCCCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000556330349 566285802 /nfs/dbraw/zinc/28/58/02/566285802.db2.gz KDDJYPJTSLIKMA-UHFFFAOYSA-N -1 3 378.230 3.253 20 0 GGADHM COCCCCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000556330349 566285806 /nfs/dbraw/zinc/28/58/06/566285806.db2.gz KDDJYPJTSLIKMA-UHFFFAOYSA-N -1 3 378.230 3.253 20 0 GGADHM COCCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556330349 566285810 /nfs/dbraw/zinc/28/58/10/566285810.db2.gz KDDJYPJTSLIKMA-UHFFFAOYSA-N -1 3 378.230 3.253 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCc2c1cccc2F ZINC000482141857 566286050 /nfs/dbraw/zinc/28/60/50/566286050.db2.gz NMENBYKSCXQBAS-HNNXBMFYSA-N -1 3 389.228 3.467 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)N(C)C ZINC000556341892 566287010 /nfs/dbraw/zinc/28/70/10/566287010.db2.gz FYENGCCFTHHLGP-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM CCc1cnccc1[C@H](C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482144476 566287022 /nfs/dbraw/zinc/28/70/22/566287022.db2.gz WBGUZQRCIOCRMD-NSHDSACASA-N -1 3 388.269 3.359 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1Br ZINC000556335302 566287123 /nfs/dbraw/zinc/28/71/23/566287123.db2.gz PLFCTEQXUMNIIF-LLVKDONJSA-N -1 3 392.290 3.216 20 0 GGADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccc(O)c1 ZINC000482145333 566287198 /nfs/dbraw/zinc/28/71/98/566287198.db2.gz YDKRQDNYLOKPCD-JTQLQIEISA-N -1 3 375.226 3.107 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(Cc4cccnc4)n3)[n-]2)c1 ZINC000556332021 566287593 /nfs/dbraw/zinc/28/75/93/566287593.db2.gz ZKBHADOLUIJJFI-UHFFFAOYSA-N -1 3 383.209 3.270 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(Cc4cccnc4)n3)n2)c1 ZINC000556332021 566287596 /nfs/dbraw/zinc/28/75/96/566287596.db2.gz ZKBHADOLUIJJFI-UHFFFAOYSA-N -1 3 383.209 3.270 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(Cc4cccnc4)n3)n[n-]2)c1 ZINC000556332021 566287597 /nfs/dbraw/zinc/28/75/97/566287597.db2.gz ZKBHADOLUIJJFI-UHFFFAOYSA-N -1 3 383.209 3.270 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)N(C)C ZINC000556341885 566287622 /nfs/dbraw/zinc/28/76/22/566287622.db2.gz FYENGCCFTHHLGP-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=O)N=c2cc3ccc(Br)cn3[n-]2)on1 ZINC000482165411 566288567 /nfs/dbraw/zinc/28/85/67/566288567.db2.gz DEVUVXPOUIMVBX-ZDUSSCGKSA-N -1 3 390.241 3.184 20 0 GGADHM Cc1cc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc(C)c1O ZINC000482162252 566288669 /nfs/dbraw/zinc/28/86/69/566288669.db2.gz ZFQPRMDZCVUKFZ-UHFFFAOYSA-N -1 3 389.253 3.163 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCC1Cc2ccccc2C1 ZINC000482166070 566288757 /nfs/dbraw/zinc/28/87/57/566288757.db2.gz DYYZKGCAWRZSIN-UHFFFAOYSA-N -1 3 385.265 3.055 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCc2cc(F)ccc2C1 ZINC000482157958 566288997 /nfs/dbraw/zinc/28/89/97/566288997.db2.gz ILNGPQVABMZROT-UHFFFAOYSA-N -1 3 389.228 3.248 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc2ncccc2c1 ZINC000482161107 566289149 /nfs/dbraw/zinc/28/91/49/566289149.db2.gz VMVFPCCYBJRJKR-UHFFFAOYSA-N -1 3 396.248 3.389 20 0 GGADHM O=C(NC[C@H]1COc2ccccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000575811465 566289183 /nfs/dbraw/zinc/28/91/83/566289183.db2.gz YODMXOYCHMHZKW-NSHDSACASA-N -1 3 399.244 3.197 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)N=c2cc3ccc(Br)cn3[n-]2)on1 ZINC000482165409 566289356 /nfs/dbraw/zinc/28/93/56/566289356.db2.gz DEVUVXPOUIMVBX-CYBMUJFWSA-N -1 3 390.241 3.184 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1nccs1 ZINC000462347235 566289857 /nfs/dbraw/zinc/28/98/57/566289857.db2.gz HOPQVGKUSOPSLH-HNNXBMFYSA-N -1 3 388.898 3.187 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1(c2cccc(F)c2)CC1 ZINC000482189322 566290095 /nfs/dbraw/zinc/29/00/95/566290095.db2.gz WEISCVNKZZYVQF-UHFFFAOYSA-N -1 3 389.228 3.469 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1(c2ccc(F)cc2)CC1 ZINC000482182253 566290132 /nfs/dbraw/zinc/29/01/32/566290132.db2.gz FTNCFIUOLVGRIV-UHFFFAOYSA-N -1 3 389.228 3.469 20 0 GGADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1ccc(Br)cn1 ZINC000462357808 566290827 /nfs/dbraw/zinc/29/08/27/566290827.db2.gz VDWNFQHRCJHFSR-UHFFFAOYSA-N -1 3 381.251 3.111 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000482191386 566291119 /nfs/dbraw/zinc/29/11/19/566291119.db2.gz GNYINNBAVRRJSD-GXTWGEPZSA-N -1 3 378.416 3.157 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)Cc2c(C)noc2C)s1 ZINC000462361513 566291287 /nfs/dbraw/zinc/29/12/87/566291287.db2.gz YPCNDMJQJKXOSJ-SSDOTTSWSA-N -1 3 393.328 3.333 20 0 GGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000556376643 566291883 /nfs/dbraw/zinc/29/18/83/566291883.db2.gz UQRZZLCVOLXRFW-GHMZBOCLSA-N -1 3 377.890 3.238 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1cc(F)ccc1OC(F)F ZINC000420660276 566292092 /nfs/dbraw/zinc/29/20/92/566292092.db2.gz JSBXPGICUZCBMV-OLZOCXBDSA-N -1 3 375.343 3.401 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1ccsc1Br ZINC000509335193 566292062 /nfs/dbraw/zinc/29/20/62/566292062.db2.gz DPVAMWULXMJIPF-UHFFFAOYSA-N -1 3 382.251 3.408 20 0 GGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000556376646 566292400 /nfs/dbraw/zinc/29/24/00/566292400.db2.gz UQRZZLCVOLXRFW-WDEREUQCSA-N -1 3 377.890 3.238 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1cc(F)ccc1OC(F)F ZINC000420660275 566292486 /nfs/dbraw/zinc/29/24/86/566292486.db2.gz JSBXPGICUZCBMV-CHWSQXEVSA-N -1 3 375.343 3.401 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000482191389 566292749 /nfs/dbraw/zinc/29/27/49/566292749.db2.gz GNYINNBAVRRJSD-TZMCWYRMSA-N -1 3 378.416 3.157 20 0 GGADHM COCCCOc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000556371766 566292845 /nfs/dbraw/zinc/29/28/45/566292845.db2.gz KNBCFWIBLASHBR-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM Cc1ncc(-c2noc(-c3n[n-]c(-c4ccccc4)c3Br)n2)c(N)n1 ZINC000445486043 566293144 /nfs/dbraw/zinc/29/31/44/566293144.db2.gz HSTYKEGVHZMNDO-UHFFFAOYSA-N -1 3 398.224 3.067 20 0 GGADHM Cc1ncc(-c2noc(-c3[n-]nc(-c4ccccc4)c3Br)n2)c(N)n1 ZINC000445486043 566293149 /nfs/dbraw/zinc/29/31/49/566293149.db2.gz HSTYKEGVHZMNDO-UHFFFAOYSA-N -1 3 398.224 3.067 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000420660001 566293246 /nfs/dbraw/zinc/29/32/46/566293246.db2.gz JKISYSFOANVPPO-LBPRGKRZSA-N -1 3 376.931 3.430 20 0 GGADHM C[C@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000482232261 566293872 /nfs/dbraw/zinc/29/38/72/566293872.db2.gz QXSINWJNKGFUDS-ZETCQYMHSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000482232261 566293875 /nfs/dbraw/zinc/29/38/75/566293875.db2.gz QXSINWJNKGFUDS-ZETCQYMHSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000482232261 566293882 /nfs/dbraw/zinc/29/38/82/566293882.db2.gz QXSINWJNKGFUDS-ZETCQYMHSA-N -1 3 377.164 3.006 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000482228166 566293958 /nfs/dbraw/zinc/29/39/58/566293958.db2.gz JDUJYWHHSFBLOK-UWVGGRQHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000482228166 566293965 /nfs/dbraw/zinc/29/39/65/566293965.db2.gz JDUJYWHHSFBLOK-UWVGGRQHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000482228166 566293975 /nfs/dbraw/zinc/29/39/75/566293975.db2.gz JDUJYWHHSFBLOK-UWVGGRQHSA-N -1 3 389.175 3.006 20 0 GGADHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482231369 566294144 /nfs/dbraw/zinc/29/41/44/566294144.db2.gz KSRINEIOSUGUFE-LRDDRELGSA-N -1 3 395.301 3.091 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000462397387 566294586 /nfs/dbraw/zinc/29/45/86/566294586.db2.gz MWLUNAIAUIBOMD-NSHDSACASA-N -1 3 389.290 3.226 20 0 GGADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)OC)c1 ZINC000556398182 566295495 /nfs/dbraw/zinc/29/54/95/566295495.db2.gz JBNYCXLAAVXBPV-LLVKDONJSA-N -1 3 387.807 3.065 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420667966 566295703 /nfs/dbraw/zinc/29/57/03/566295703.db2.gz JGZAFQYWOGPDMG-IAQYHMDHSA-N -1 3 381.416 3.157 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1nccs1 ZINC000420670143 566295762 /nfs/dbraw/zinc/29/57/62/566295762.db2.gz HDRZVDOHZUMMTE-AWEZNQCLSA-N -1 3 380.413 3.487 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)sc1C ZINC000420671833 566295961 /nfs/dbraw/zinc/29/59/61/566295961.db2.gz WUIIKQXGNLYACW-UHFFFAOYSA-N -1 3 394.440 3.275 20 0 GGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420669782 566295994 /nfs/dbraw/zinc/29/59/94/566295994.db2.gz GRTAQVOPLUOLBI-UHFFFAOYSA-N -1 3 393.843 3.205 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000420672773 566296270 /nfs/dbraw/zinc/29/62/70/566296270.db2.gz KNFJAENUKHOEEQ-IAGOWNOFSA-N -1 3 380.535 3.080 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H](C)n2ccnc21 ZINC000625244334 566296568 /nfs/dbraw/zinc/29/65/68/566296568.db2.gz YFTIHELDKPUFRD-JOYOIKCWSA-N -1 3 388.262 3.077 20 0 GGADHM CCCN(C[C@H]1CCCCO1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482238975 566296794 /nfs/dbraw/zinc/29/67/94/566296794.db2.gz KTJAPWQJEBKVLU-OAHLLOKOSA-N -1 3 395.301 3.332 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482245349 566296904 /nfs/dbraw/zinc/29/69/04/566296904.db2.gz PZZABAQSCZUDHG-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482245349 566296910 /nfs/dbraw/zinc/29/69/10/566296910.db2.gz PZZABAQSCZUDHG-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482245349 566296918 /nfs/dbraw/zinc/29/69/18/566296918.db2.gz PZZABAQSCZUDHG-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482248321 566296967 /nfs/dbraw/zinc/29/69/67/566296967.db2.gz XCTKIVPFJCGDMI-UHFFFAOYSA-N -1 3 383.157 3.216 20 0 GGADHM O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482248321 566296971 /nfs/dbraw/zinc/29/69/71/566296971.db2.gz XCTKIVPFJCGDMI-UHFFFAOYSA-N -1 3 383.157 3.216 20 0 GGADHM O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482248321 566296978 /nfs/dbraw/zinc/29/69/78/566296978.db2.gz XCTKIVPFJCGDMI-UHFFFAOYSA-N -1 3 383.157 3.216 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C12CCC2 ZINC000420674616 566297207 /nfs/dbraw/zinc/29/72/07/566297207.db2.gz NGJPUCXYHRUKPK-UONOGXRCSA-N -1 3 379.400 3.053 20 0 GGADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000420672700 566297301 /nfs/dbraw/zinc/29/73/01/566297301.db2.gz KGFZIZIQVAQJLV-LBPRGKRZSA-N -1 3 383.844 3.161 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)s1 ZINC000420677857 566298164 /nfs/dbraw/zinc/29/81/64/566298164.db2.gz NHHUCYOJPZAIJC-UHFFFAOYSA-N -1 3 380.413 3.021 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000420680786 566298570 /nfs/dbraw/zinc/29/85/70/566298570.db2.gz YFDMZSBCWJZVPV-JTQLQIEISA-N -1 3 388.477 3.378 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)Oc1ccccc1 ZINC000420677169 566298849 /nfs/dbraw/zinc/29/88/49/566298849.db2.gz MFAFDHFQSMWUHW-NSHDSACASA-N -1 3 375.368 3.173 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC[C@H]1O ZINC000420678298 566298857 /nfs/dbraw/zinc/29/88/57/566298857.db2.gz ULZXDSRMOPEZQN-UKRRQHHQSA-N -1 3 383.844 3.161 20 0 GGADHM CS(=O)(=O)c1cc(CNCc2cc([O-])cc(F)c2)cc(C(F)(F)F)c1 ZINC000556409552 566298932 /nfs/dbraw/zinc/29/89/32/566298932.db2.gz KWOCWEJFOFVPDV-UHFFFAOYSA-N -1 3 377.359 3.243 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(C(C)(C)c2cccc(Cl)c2F)no1 ZINC000445595087 566299197 /nfs/dbraw/zinc/29/91/97/566299197.db2.gz ZCHQSGAARSRQDU-UHFFFAOYSA-N -1 3 389.880 3.408 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000535355607 566299249 /nfs/dbraw/zinc/29/92/49/566299249.db2.gz RQLHRWKXCINRRG-OAHLLOKOSA-N -1 3 383.466 3.412 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(Cl)cc1F)c1ccc(F)cc1Cl ZINC000509403339 566299541 /nfs/dbraw/zinc/29/95/41/566299541.db2.gz UMIJCMHBSRWEDT-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000625260634 566299656 /nfs/dbraw/zinc/29/96/56/566299656.db2.gz OPKGSSFJSZNHLS-LBPRGKRZSA-N -1 3 380.267 3.254 20 0 GGADHM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599840275 566300007 /nfs/dbraw/zinc/30/00/07/566300007.db2.gz RDJJAOVUDBROMT-KRWDZBQOSA-N -1 3 384.270 3.206 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000535356012 566300191 /nfs/dbraw/zinc/30/01/91/566300191.db2.gz UXKGEWLYEBLHES-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420685779 566300518 /nfs/dbraw/zinc/30/05/18/566300518.db2.gz ITPBXVBXGIIYCA-DGCLKSJQSA-N -1 3 383.844 3.423 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cs1 ZINC000462430314 566300988 /nfs/dbraw/zinc/30/09/88/566300988.db2.gz TYBQAGSNSBHXRH-UHFFFAOYSA-N -1 3 397.371 3.171 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCOc2c(F)cccc2C1 ZINC000509418263 566301060 /nfs/dbraw/zinc/30/10/60/566301060.db2.gz RIQGWBPFMBQQBR-UHFFFAOYSA-N -1 3 380.213 3.258 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccccn1 ZINC000625269677 566301205 /nfs/dbraw/zinc/30/12/05/566301205.db2.gz VJSWCGXAHUFTET-NSHDSACASA-N -1 3 387.274 3.201 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1)OC ZINC000420692312 566301115 /nfs/dbraw/zinc/30/11/15/566301115.db2.gz RZWJPIOSHJLIGE-CYBMUJFWSA-N -1 3 380.491 3.401 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)c(Br)c1 ZINC000462424102 566301263 /nfs/dbraw/zinc/30/12/63/566301263.db2.gz CARFIOSRHYJLFZ-CMPLNLGQSA-N -1 3 390.299 3.093 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC000509410360 566301173 /nfs/dbraw/zinc/30/11/73/566301173.db2.gz LMUGXKHXLXUBNM-SMDDNHRTSA-N -1 3 386.876 3.264 20 0 GGADHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000509419582 566301395 /nfs/dbraw/zinc/30/13/95/566301395.db2.gz KGSGCXCIPLMUMP-CYBMUJFWSA-N -1 3 393.814 3.241 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC000509410358 566301584 /nfs/dbraw/zinc/30/15/84/566301584.db2.gz LMUGXKHXLXUBNM-FZMZJTMJSA-N -1 3 386.876 3.264 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1ccco1 ZINC000420692345 566302201 /nfs/dbraw/zinc/30/22/01/566302201.db2.gz RTKKFJWYHKSWKE-LLVKDONJSA-N -1 3 379.356 3.076 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420694236 566302240 /nfs/dbraw/zinc/30/22/40/566302240.db2.gz VRKALTHAZKLCSR-QWRGUYRKSA-N -1 3 383.844 3.425 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c(Cl)c1Cl ZINC000462438327 566302441 /nfs/dbraw/zinc/30/24/41/566302441.db2.gz SXAPHFIFEYDQJL-NSHDSACASA-N -1 3 388.272 3.284 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(Cl)c1Cl ZINC000462438326 566302448 /nfs/dbraw/zinc/30/24/48/566302448.db2.gz SXAPHFIFEYDQJL-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c(Cl)c1Cl ZINC000462437475 566302574 /nfs/dbraw/zinc/30/25/74/566302574.db2.gz ATVNGRPUAMBTPZ-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCCCC1)c1cc(F)ccc1OC(F)F ZINC000420698993 566302557 /nfs/dbraw/zinc/30/25/57/566302557.db2.gz MELFMHJXRQMAAQ-ZDUSSCGKSA-N -1 3 381.416 3.037 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCCC1)c1cc(F)ccc1OC(F)F ZINC000420698990 566302612 /nfs/dbraw/zinc/30/26/12/566302612.db2.gz MELFMHJXRQMAAQ-CYBMUJFWSA-N -1 3 381.416 3.037 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCC1 ZINC000420698669 566302808 /nfs/dbraw/zinc/30/28/08/566302808.db2.gz QQYMGEWMZLAEOT-UHFFFAOYSA-N -1 3 381.416 3.302 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)CCC(C)(C)C)c1OC ZINC000509421069 566303219 /nfs/dbraw/zinc/30/32/19/566303219.db2.gz PEJUMTNFVLLYLR-LLVKDONJSA-N -1 3 390.933 3.201 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1nccs1 ZINC000420697295 566303538 /nfs/dbraw/zinc/30/35/38/566303538.db2.gz ZHCBKLNKKVDMRW-QMMMGPOBSA-N -1 3 382.841 3.480 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)sc1C ZINC000420696824 566303817 /nfs/dbraw/zinc/30/38/17/566303817.db2.gz OPHZYTRNTYZCGI-UHFFFAOYSA-N -1 3 380.413 3.021 20 0 GGADHM CC[C@@H](C)Cc1c(C)sc2[n-]c(CS(=O)(=O)CCCOC)nc(=O)c12 ZINC000575974670 566303877 /nfs/dbraw/zinc/30/38/77/566303877.db2.gz ZJTGIIMAVLGWCZ-LLVKDONJSA-N -1 3 386.539 3.245 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000462446045 566303989 /nfs/dbraw/zinc/30/39/89/566303989.db2.gz JIDJVLYMIHCIAI-UHFFFAOYSA-N -1 3 385.285 3.481 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)s1 ZINC000462441390 566304537 /nfs/dbraw/zinc/30/45/37/566304537.db2.gz NRICNBPTYGVIOI-QWRGUYRKSA-N -1 3 395.388 3.360 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000420705475 566304690 /nfs/dbraw/zinc/30/46/90/566304690.db2.gz ISGITBOOVHXKKK-SMDDNHRTSA-N -1 3 384.325 3.007 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cc(C)nc(C)c2)c(Cl)c1Cl ZINC000420702773 566304969 /nfs/dbraw/zinc/30/49/69/566304969.db2.gz SVIRQFMRHIKRBH-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1c[n-]c2ccccc2c1=O ZINC000482420014 566305518 /nfs/dbraw/zinc/30/55/18/566305518.db2.gz ADHIREHGYKRHKZ-HNNXBMFYSA-N -1 3 377.227 3.298 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000420705470 566305616 /nfs/dbraw/zinc/30/56/16/566305616.db2.gz ISGITBOOVHXKKK-BXUZGUMPSA-N -1 3 384.325 3.007 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)OC)c1 ZINC000625325935 566305785 /nfs/dbraw/zinc/30/57/85/566305785.db2.gz LDIIYSUALIGZNE-KRWDZBQOSA-N -1 3 387.860 3.295 20 0 GGADHM COC(=O)C(C)(C)c1csc(NC(=O)c2cc([O-])cc(Br)c2)n1 ZINC000599970588 566305774 /nfs/dbraw/zinc/30/57/74/566305774.db2.gz STJBVXONEGUNTC-UHFFFAOYSA-N -1 3 399.266 3.314 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)OC)c1 ZINC000625324252 566305933 /nfs/dbraw/zinc/30/59/33/566305933.db2.gz AKQAGDOIKMLRHZ-GOEBONIOSA-N -1 3 377.453 3.128 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1ccc(Br)c(F)c1 ZINC000462452423 566306055 /nfs/dbraw/zinc/30/60/55/566306055.db2.gz QOMFCDOLZRYSOK-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000462454129 566306262 /nfs/dbraw/zinc/30/62/62/566306262.db2.gz IRSCHOSVTYLWOG-UHFFFAOYSA-N -1 3 382.898 3.078 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)s1 ZINC000445704746 566306716 /nfs/dbraw/zinc/30/67/16/566306716.db2.gz MCVIHLMRWXJHPY-UHFFFAOYSA-N -1 3 387.552 3.163 20 0 GGADHM O=C([O-])C[C@@H](CNCc1cnn(Cc2ccccc2Cl)c1)C(F)(F)F ZINC000669479352 566307190 /nfs/dbraw/zinc/30/71/90/566307190.db2.gz DZOZWXOEFHYDJZ-ZDUSSCGKSA-N -1 3 375.778 3.328 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OC ZINC000462462613 566307065 /nfs/dbraw/zinc/30/70/65/566307065.db2.gz DPONYSRGZQZHBC-CQSZACIVSA-N -1 3 384.281 3.012 20 0 GGADHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420717597 566307892 /nfs/dbraw/zinc/30/78/92/566307892.db2.gz DNOSDPCWEYGSSZ-HNNXBMFYSA-N -1 3 383.844 3.161 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2cccc(C)c2)s1 ZINC000462471145 566308092 /nfs/dbraw/zinc/30/80/92/566308092.db2.gz FCMVHAMCXPCPQE-UHFFFAOYSA-N -1 3 390.324 3.485 20 0 GGADHM Cc1cncc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000535517887 566308382 /nfs/dbraw/zinc/30/83/82/566308382.db2.gz MUYKDCGMBWLVCG-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)OCC ZINC000625333233 566309219 /nfs/dbraw/zinc/30/92/19/566309219.db2.gz MTSRQWJXVHKXSP-JTQLQIEISA-N -1 3 398.294 3.080 20 0 GGADHM CCCc1ccc(Cl)c(S(=O)(=O)N=c2nc(-c3cccs3)[n-]n2C)c1 ZINC000576057819 566310694 /nfs/dbraw/zinc/31/06/94/566310694.db2.gz MQFHEWQVJVKSPN-UHFFFAOYSA-N -1 3 396.925 3.372 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1ccc(Br)c(F)c1 ZINC000462493837 566312218 /nfs/dbraw/zinc/31/22/18/566312218.db2.gz VYPFUVHQPCQQPF-MLGOLLRUSA-N -1 3 384.270 3.498 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)Cc1cccs1 ZINC000462499055 566312348 /nfs/dbraw/zinc/31/23/48/566312348.db2.gz GPVGKRLUJYQIGO-JTQLQIEISA-N -1 3 375.313 3.063 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@@H]2CCCO[C@@H]21 ZINC000462491312 566312641 /nfs/dbraw/zinc/31/26/41/566312641.db2.gz DPMSAXXPPQYFHD-IMJJTQAJSA-N -1 3 378.519 3.292 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000509516212 566312728 /nfs/dbraw/zinc/31/27/28/566312728.db2.gz NFBQVNDQFFDCKH-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cncc(Br)c1)Cc1cccs1 ZINC000462493687 566312957 /nfs/dbraw/zinc/31/29/57/566312957.db2.gz YDQZBJYLIVNZCD-JTQLQIEISA-N -1 3 375.313 3.063 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000420741624 566313686 /nfs/dbraw/zinc/31/36/86/566313686.db2.gz TZLLCRHWKXEEKF-UHFFFAOYSA-N -1 3 385.410 3.094 20 0 GGADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462504280 566313857 /nfs/dbraw/zinc/31/38/57/566313857.db2.gz MTWAYXKGYKNQLS-GFCCVEGCSA-N -1 3 399.310 3.152 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccnc(OC2CCC2)c1 ZINC000535635142 566315166 /nfs/dbraw/zinc/31/51/66/566315166.db2.gz DUNGPULATHRMOO-UHFFFAOYSA-N -1 3 377.238 3.411 20 0 GGADHM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000420752029 566315008 /nfs/dbraw/zinc/31/50/08/566315008.db2.gz PMIQAQDFJTYNGO-SWLSCSKDSA-N -1 3 395.855 3.017 20 0 GGADHM O=S(=O)([N-][C@H]([C@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000420752022 566315050 /nfs/dbraw/zinc/31/50/50/566315050.db2.gz PMIQAQDFJTYNGO-DOMZBBRYSA-N -1 3 395.855 3.017 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420761776 566315733 /nfs/dbraw/zinc/31/57/33/566315733.db2.gz YXONTFYKASVYTN-SNVBAGLBSA-N -1 3 383.844 3.425 20 0 GGADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C12CCC2 ZINC000420761722 566316179 /nfs/dbraw/zinc/31/61/79/566316179.db2.gz YTMDTPVTRSXBLT-STQMWFEESA-N -1 3 381.828 3.177 20 0 GGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462513719 566316367 /nfs/dbraw/zinc/31/63/67/566316367.db2.gz NWPUZBUMZSYUFN-LLVKDONJSA-N -1 3 378.288 3.093 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CCOCC1 ZINC000420760113 566316346 /nfs/dbraw/zinc/31/63/46/566316346.db2.gz IWMIHNGUEIRWHO-GFCCVEGCSA-N -1 3 387.885 3.257 20 0 GGADHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462528995 566316875 /nfs/dbraw/zinc/31/68/75/566316875.db2.gz ONMQQOLUPPGMFJ-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1ccc(Br)cn1 ZINC000462520593 566317049 /nfs/dbraw/zinc/31/70/49/566317049.db2.gz JNWHWHZGWDNEEQ-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1cc(F)c(F)c(F)c1 ZINC000462526515 566317175 /nfs/dbraw/zinc/31/71/75/566317175.db2.gz MAKMVMZEPKMFGA-UHFFFAOYSA-N -1 3 386.214 3.406 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1cc(F)c(F)c(F)c1 ZINC000462527872 566317240 /nfs/dbraw/zinc/31/72/40/566317240.db2.gz JLBAGDIEMHDERC-CQSZACIVSA-N -1 3 375.343 3.435 20 0 GGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000509587814 566317639 /nfs/dbraw/zinc/31/76/39/566317639.db2.gz XDOFMBKUGLQFJH-UHFFFAOYSA-N -1 3 391.287 3.184 20 0 GGADHM COC1([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCOCC1 ZINC000420768712 566317908 /nfs/dbraw/zinc/31/79/08/566317908.db2.gz XJZHEIVNMRXNBI-NSHDSACASA-N -1 3 382.309 3.164 20 0 GGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000509580938 566317985 /nfs/dbraw/zinc/31/79/85/566317985.db2.gz VGRYHEQXBJQFDS-UHFFFAOYSA-N -1 3 380.260 3.382 20 0 GGADHM COCCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000509589801 566319241 /nfs/dbraw/zinc/31/92/41/566319241.db2.gz ATMMFVSZMASDGV-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1cc(F)c(F)c(F)c1 ZINC000462543143 566319976 /nfs/dbraw/zinc/31/99/76/566319976.db2.gz RETAMGQWFXSFHX-UHFFFAOYSA-N -1 3 398.175 3.484 20 0 GGADHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000625414793 566320362 /nfs/dbraw/zinc/32/03/62/566320362.db2.gz OAXAUMFFZUZCBO-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)s1 ZINC000669676524 566320842 /nfs/dbraw/zinc/32/08/42/566320842.db2.gz XTKOPFTYEMUZJM-JTQLQIEISA-N -1 3 380.482 3.049 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)s1 ZINC000669676525 566320887 /nfs/dbraw/zinc/32/08/87/566320887.db2.gz XTKOPFTYEMUZJM-SNVBAGLBSA-N -1 3 380.482 3.049 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)s1 ZINC000669675402 566320944 /nfs/dbraw/zinc/32/09/44/566320944.db2.gz SJFFOXHBRBISBL-JQWIXIFHSA-N -1 3 380.482 3.049 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCc2cccc(C)n2)s1 ZINC000509608671 566321275 /nfs/dbraw/zinc/32/12/75/566321275.db2.gz MSOIRUIFNPBTSH-UHFFFAOYSA-N -1 3 389.340 3.434 20 0 GGADHM CC(C)(C)OC(=O)CCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482610525 566321362 /nfs/dbraw/zinc/32/13/62/566321362.db2.gz SVCWSLKSPAMFFL-UHFFFAOYSA-N -1 3 387.274 3.076 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1C ZINC000462552261 566321965 /nfs/dbraw/zinc/32/19/65/566321965.db2.gz NNJSQVDFFQFFMQ-AWEZNQCLSA-N -1 3 375.416 3.492 20 0 GGADHM O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Br)c([O-])c1 ZINC000535723532 566322065 /nfs/dbraw/zinc/32/20/65/566322065.db2.gz AZGNVLQLHWTYHF-UHFFFAOYSA-N -1 3 391.200 3.009 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c1C ZINC000462552262 566322273 /nfs/dbraw/zinc/32/22/73/566322273.db2.gz NNJSQVDFFQFFMQ-CQSZACIVSA-N -1 3 375.416 3.492 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H](C)CC ZINC000462566852 566323934 /nfs/dbraw/zinc/32/39/34/566323934.db2.gz VEGPCKOFHJQEIJ-IUODEOHRSA-N -1 3 382.507 3.066 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2sc(Br)cc2C1 ZINC000669712023 566324504 /nfs/dbraw/zinc/32/45/04/566324504.db2.gz VTSHGDAZJBCWHF-UHFFFAOYSA-N -1 3 381.230 3.120 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2sc(Br)cc2C1 ZINC000669712023 566324507 /nfs/dbraw/zinc/32/45/07/566324507.db2.gz VTSHGDAZJBCWHF-UHFFFAOYSA-N -1 3 381.230 3.120 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2sc(Br)cc2C1 ZINC000669712023 566324510 /nfs/dbraw/zinc/32/45/10/566324510.db2.gz VTSHGDAZJBCWHF-UHFFFAOYSA-N -1 3 381.230 3.120 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]Cc3cc4c(s3)CCCC4)cnc2c1Cl ZINC000535754294 566324585 /nfs/dbraw/zinc/32/45/85/566324585.db2.gz OBAWXDSNDLVOHV-UHFFFAOYSA-N -1 3 396.925 3.110 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000509642174 566324934 /nfs/dbraw/zinc/32/49/34/566324934.db2.gz RWQSHIKFNYLSER-UHFFFAOYSA-N -1 3 375.313 3.125 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@H](C)CC ZINC000462569201 566325049 /nfs/dbraw/zinc/32/50/49/566325049.db2.gz ZXGZEFHHFVFSBS-LDYMZIIASA-N -1 3 398.344 3.075 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000509660433 566326210 /nfs/dbraw/zinc/32/62/10/566326210.db2.gz ZQFPANXLDXRKKD-BLLLJJGKSA-N -1 3 390.933 3.277 20 0 GGADHM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)CCOC(C)C)cc2)n1 ZINC000482685536 566326569 /nfs/dbraw/zinc/32/65/69/566326569.db2.gz XYJLBWWDPNVFSZ-UHFFFAOYSA-N -1 3 381.523 3.411 20 0 GGADHM CCCCN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)CCC(C)(C)C)c1 ZINC000576233416 566326775 /nfs/dbraw/zinc/32/67/75/566326775.db2.gz ORGWHRDAYTWXDY-UHFFFAOYSA-N -1 3 390.571 3.285 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cccs1)Oc1cccc(Br)c1 ZINC000462577406 566327352 /nfs/dbraw/zinc/32/73/52/566327352.db2.gz MGRPFKCBDMKILC-JTQLQIEISA-N -1 3 376.297 3.256 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)[C@@H](C)CC ZINC000462584860 566327419 /nfs/dbraw/zinc/32/74/19/566327419.db2.gz OUMHBVRRJWJMBG-XPTSAGLGSA-N -1 3 398.308 3.258 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)N2CCCC2)o1 ZINC000509678938 566327604 /nfs/dbraw/zinc/32/76/04/566327604.db2.gz MVLTYNHPXIPMDK-HNNXBMFYSA-N -1 3 386.876 3.496 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)N2CCCC2)o1 ZINC000509679098 566327902 /nfs/dbraw/zinc/32/79/02/566327902.db2.gz COUNWNPMOHJWCW-HNNXBMFYSA-N -1 3 386.876 3.496 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)N2CCCC2)o1 ZINC000509678940 566327976 /nfs/dbraw/zinc/32/79/76/566327976.db2.gz MVLTYNHPXIPMDK-OAHLLOKOSA-N -1 3 386.876 3.496 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1F)Oc1ccc(Br)cc1 ZINC000462586493 566328599 /nfs/dbraw/zinc/32/85/99/566328599.db2.gz BFDDJWWEQKXPAC-NSHDSACASA-N -1 3 388.258 3.334 20 0 GGADHM COc1cccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1[O-] ZINC000556742074 566328929 /nfs/dbraw/zinc/32/89/29/566328929.db2.gz QLKLVZSBITWBDC-OAHLLOKOSA-N -1 3 377.238 3.439 20 0 GGADHM COC(=O)c1cnc(C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)s1 ZINC000600275587 566329580 /nfs/dbraw/zinc/32/95/80/566329580.db2.gz FHCQTPNIWWMDSB-UHFFFAOYSA-N -1 3 380.853 3.309 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000462597167 566330403 /nfs/dbraw/zinc/33/04/03/566330403.db2.gz XHJAXFHNBQRTOI-UHFFFAOYSA-N -1 3 396.925 3.332 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccnc1C ZINC000625501753 566330482 /nfs/dbraw/zinc/33/04/82/566330482.db2.gz ZEEAIDCWMCNDCM-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cccs1)Oc1ccc(Br)cc1 ZINC000462591929 566330728 /nfs/dbraw/zinc/33/07/28/566330728.db2.gz POYPKGLFTRMDHY-JTQLQIEISA-N -1 3 376.297 3.256 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C)c(Br)c2)s1 ZINC000462596861 566330741 /nfs/dbraw/zinc/33/07/41/566330741.db2.gz XEMHXEJQESKTGW-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CCCC2)C1)c1ccc(Br)s1 ZINC000462597290 566330797 /nfs/dbraw/zinc/33/07/97/566330797.db2.gz YEJZFBJUZRZYKW-GFCCVEGCSA-N -1 3 393.372 3.053 20 0 GGADHM Cc1ccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)n1 ZINC000669851913 566331592 /nfs/dbraw/zinc/33/15/92/566331592.db2.gz JVXWPLFOXHEAMV-LBPRGKRZSA-N -1 3 385.892 3.120 20 0 GGADHM COCCC[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)c1ccc(Cl)cc1 ZINC000509709909 566331587 /nfs/dbraw/zinc/33/15/87/566331587.db2.gz FXRZNFRKBLLUGM-AWEZNQCLSA-N -1 3 386.876 3.363 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)Sc1ccccc1 ZINC000462610295 566333418 /nfs/dbraw/zinc/33/34/18/566333418.db2.gz DEGAONXZHWBJBU-LLVKDONJSA-N -1 3 387.324 3.303 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2sc(C)cc2Br)s1 ZINC000462616780 566333644 /nfs/dbraw/zinc/33/36/44/566333644.db2.gz JJHFIGRTRQRXAC-UHFFFAOYSA-N -1 3 381.342 3.316 20 0 GGADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1 ZINC000462609572 566333956 /nfs/dbraw/zinc/33/39/56/566333956.db2.gz BPKQZGOQCQGTKP-GFCCVEGCSA-N -1 3 385.869 3.103 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)s1 ZINC000462616325 566334015 /nfs/dbraw/zinc/33/40/15/566334015.db2.gz PETQOZOGWDUWCQ-UHFFFAOYSA-N -1 3 381.306 3.499 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)C1CCCC1 ZINC000625545287 566334339 /nfs/dbraw/zinc/33/43/39/566334339.db2.gz RXRGOTSKTWVTLU-UHFFFAOYSA-N -1 3 394.718 3.281 20 0 GGADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cnn2c1OCCC2 ZINC000556815805 566334368 /nfs/dbraw/zinc/33/43/68/566334368.db2.gz IUPMLHWPNLTVCZ-UHFFFAOYSA-N -1 3 379.804 3.229 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000509747880 566334537 /nfs/dbraw/zinc/33/45/37/566334537.db2.gz YLUVNFMCPOEPKX-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000509747190 566334780 /nfs/dbraw/zinc/33/47/80/566334780.db2.gz UNDNMBNZPDHDIJ-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC000509758842 566334903 /nfs/dbraw/zinc/33/49/03/566334903.db2.gz ACLNZUVSXWTVNR-ZFWWWQNUSA-N -1 3 391.798 3.295 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cncc(Br)c1)Sc1ccccc1 ZINC000462631782 566335182 /nfs/dbraw/zinc/33/51/82/566335182.db2.gz ZPPDDPGUQPQDSG-NSHDSACASA-N -1 3 387.324 3.303 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-]CC(=O)c1cccc(Cl)c1Cl ZINC000625550026 566336090 /nfs/dbraw/zinc/33/60/90/566336090.db2.gz XQJLXTVLJDWNBV-UHFFFAOYSA-N -1 3 393.317 3.103 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCO1 ZINC000535897174 566336583 /nfs/dbraw/zinc/33/65/83/566336583.db2.gz KICLXQXCMKMCOH-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000535897987 566336714 /nfs/dbraw/zinc/33/67/14/566336714.db2.gz VUNJIQQUPKKDOF-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000535897990 566337320 /nfs/dbraw/zinc/33/73/20/566337320.db2.gz VUNJIQQUPKKDOF-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(Cc1cc[nH]c(=O)c1Br)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000446224640 566337324 /nfs/dbraw/zinc/33/73/24/566337324.db2.gz GIOIOTYXDPZEDA-UHFFFAOYSA-N -1 3 391.143 3.455 20 0 GGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000509783480 566337564 /nfs/dbraw/zinc/33/75/64/566337564.db2.gz QZCKMFNYIVFFJS-MSOLQXFVSA-N -1 3 387.929 3.296 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000482837134 566337677 /nfs/dbraw/zinc/33/76/77/566337677.db2.gz FFNPBCQBLDTQFB-CYBMUJFWSA-N -1 3 378.885 3.144 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000509783484 566337904 /nfs/dbraw/zinc/33/79/04/566337904.db2.gz QZCKMFNYIVFFJS-ROUUACIJSA-N -1 3 387.929 3.296 20 0 GGADHM CCCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCN(C)C1 ZINC000648996467 566337905 /nfs/dbraw/zinc/33/79/05/566337905.db2.gz SZAXIRGVXOXGGC-LBPRGKRZSA-N -1 3 392.297 3.259 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000509783485 566338162 /nfs/dbraw/zinc/33/81/62/566338162.db2.gz QZCKMFNYIVFFJS-ZWKOTPCHSA-N -1 3 387.929 3.296 20 0 GGADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)C2)c1 ZINC000535917337 566338476 /nfs/dbraw/zinc/33/84/76/566338476.db2.gz FEELGQLKQPCSMW-CQSZACIVSA-N -1 3 384.860 3.045 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)C(=O)OC(C)(C)C ZINC000462664347 566338708 /nfs/dbraw/zinc/33/87/08/566338708.db2.gz UDHXKSVUNRERMH-AWEZNQCLSA-N -1 3 391.917 3.278 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000462669001 566338808 /nfs/dbraw/zinc/33/88/08/566338808.db2.gz PPKMKZVUYSQVFW-AWEZNQCLSA-N -1 3 379.787 3.423 20 0 GGADHM COc1cc(C(=O)NCc2cc(OC)c(OC)cc2Br)ccc1[O-] ZINC000509832310 566340577 /nfs/dbraw/zinc/34/05/77/566340577.db2.gz CLNZROPVKOCBFI-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000625582900 566340591 /nfs/dbraw/zinc/34/05/91/566340591.db2.gz USOCFQLNIPAQSI-LLVKDONJSA-N -1 3 390.889 3.106 20 0 GGADHM CCOc1ccc(-c2nc(C(=O)N=c3[nH][n-]cc3Br)cs2)cc1 ZINC000556894330 566341334 /nfs/dbraw/zinc/34/13/34/566341334.db2.gz XKUDDXCKJIGBHH-UHFFFAOYSA-N -1 3 393.266 3.369 20 0 GGADHM O=S(=O)([N-][C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000462701908 566343209 /nfs/dbraw/zinc/34/32/09/566343209.db2.gz HYPZCAYPPZQOPF-SJKOYZFVSA-N -1 3 387.835 3.416 20 0 GGADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000462698667 566343295 /nfs/dbraw/zinc/34/32/95/566343295.db2.gz QWLOMCMTPREQEU-GFCCVEGCSA-N -1 3 385.869 3.103 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000462701216 566343532 /nfs/dbraw/zinc/34/35/32/566343532.db2.gz JMBGDEPVEDQXAQ-AWEZNQCLSA-N -1 3 375.519 3.448 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c[n-]1 ZINC000509879530 566344040 /nfs/dbraw/zinc/34/40/40/566344040.db2.gz TYACWRQXUQXAGA-UHFFFAOYSA-N -1 3 380.788 3.365 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000462707101 566344796 /nfs/dbraw/zinc/34/47/96/566344796.db2.gz POGCSOKGVRBMHG-CQSZACIVSA-N -1 3 377.865 3.269 20 0 GGADHM CN(Cc1cccc(Br)c1OCC(C)(C)O)Cc1ncccc1[O-] ZINC000576432602 566344990 /nfs/dbraw/zinc/34/49/90/566344990.db2.gz MOKJPDUCSFJNIU-UHFFFAOYSA-N -1 3 395.297 3.331 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c2nccn21 ZINC000576435668 566345133 /nfs/dbraw/zinc/34/51/33/566345133.db2.gz ZSOCYAINMWEKMF-GZMMTYOYSA-N -1 3 390.690 3.283 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509893685 566345538 /nfs/dbraw/zinc/34/55/38/566345538.db2.gz MBRQGZZXULGKFN-TVQRCGJNSA-N -1 3 382.835 3.120 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000625629685 566345881 /nfs/dbraw/zinc/34/58/81/566345881.db2.gz WLMMYFZCLZKIRQ-LBPRGKRZSA-N -1 3 396.317 3.466 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)CC)cc1 ZINC000462710860 566345938 /nfs/dbraw/zinc/34/59/38/566345938.db2.gz GYSXRAPCPUZABG-GJZGRUSLSA-N -1 3 390.571 3.331 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 ZINC000462709809 566346208 /nfs/dbraw/zinc/34/62/08/566346208.db2.gz KWRQMPCZTOKVEI-IAQYHMDHSA-N -1 3 399.299 3.466 20 0 GGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462712587 566346565 /nfs/dbraw/zinc/34/65/65/566346565.db2.gz XZMDIKSIJRCGOG-GHMZBOCLSA-N -1 3 392.315 3.339 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 ZINC000462709811 566346807 /nfs/dbraw/zinc/34/68/07/566346807.db2.gz KWRQMPCZTOKVEI-XHDPSFHLSA-N -1 3 399.299 3.466 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1cccc(F)c1 ZINC000462723835 566347613 /nfs/dbraw/zinc/34/76/13/566347613.db2.gz BTEPCLXIRHRWFG-VIFPVBQESA-N -1 3 394.287 3.396 20 0 GGADHM CCOC(=O)[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000600582865 566347963 /nfs/dbraw/zinc/34/79/63/566347963.db2.gz BNHYGNCUAUTRMP-GFCCVEGCSA-N -1 3 378.841 3.119 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C1CCCCC1 ZINC000462723408 566348209 /nfs/dbraw/zinc/34/82/09/566348209.db2.gz ATTVZAZGAGFKON-OAHLLOKOSA-N -1 3 389.901 3.139 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000421137972 566348556 /nfs/dbraw/zinc/34/85/56/566348556.db2.gz AAEKZVODHFBYKU-GFCCVEGCSA-N -1 3 377.890 3.304 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)c1Br ZINC000536056719 566348615 /nfs/dbraw/zinc/34/86/15/566348615.db2.gz DVSGDJOXMFASEL-UHFFFAOYSA-N -1 3 388.269 3.416 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCc3c(Br)cccc3[C@H]2C)c(=O)[n-]1 ZINC000509929118 566348765 /nfs/dbraw/zinc/34/87/65/566348765.db2.gz MBCCOEKPUHTETI-LLVKDONJSA-N -1 3 390.281 3.250 20 0 GGADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)c2c([O-])cccc21 ZINC000446417305 566349246 /nfs/dbraw/zinc/34/92/46/566349246.db2.gz FQKDCJRYGORQNA-SNVBAGLBSA-N -1 3 377.238 3.338 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(Cl)cc32)s1 ZINC000625676781 566349440 /nfs/dbraw/zinc/34/94/40/566349440.db2.gz OUVQHYCRBIPBNY-MRXNPFEDSA-N -1 3 398.937 3.394 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000421148446 566349801 /nfs/dbraw/zinc/34/98/01/566349801.db2.gz DOFSRKQQRNUVOT-AWEZNQCLSA-N -1 3 388.917 3.270 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000421152254 566349928 /nfs/dbraw/zinc/34/99/28/566349928.db2.gz KSNSICCEWMWJQK-DMZKTXOQSA-N -1 3 381.947 3.021 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Sc2nnc(C)s2)cc1C)OC ZINC000421153961 566350767 /nfs/dbraw/zinc/35/07/67/566350767.db2.gz MGWVOAKTSSIFPQ-LBPRGKRZSA-N -1 3 387.552 3.473 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@@](=O)C2CCCCC2)c1)OC ZINC000421162683 566350911 /nfs/dbraw/zinc/35/09/11/566350911.db2.gz ZULZQFAOBAPAKQ-BXKMTCNYSA-N -1 3 387.567 3.435 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(C[S@](=O)c2ccccc2)c1)OC ZINC000421157682 566351169 /nfs/dbraw/zinc/35/11/69/566351169.db2.gz QVPDCUMUJUCBFZ-OSPHWJPCSA-N -1 3 381.519 3.161 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1)OC ZINC000421158233 566351651 /nfs/dbraw/zinc/35/16/51/566351651.db2.gz UJGWSBACDZFQIL-OAHLLOKOSA-N -1 3 384.885 3.481 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(OCCOC)c(Cl)c1)OC ZINC000421158099 566351732 /nfs/dbraw/zinc/35/17/32/566351732.db2.gz RNFVNQNGTNTFNJ-NSHDSACASA-N -1 3 386.297 3.185 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000509969913 566352086 /nfs/dbraw/zinc/35/20/86/566352086.db2.gz PCXQYRSOASUYOW-UHFFFAOYSA-N -1 3 382.835 3.289 20 0 GGADHM COc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)c(Br)c1[O-] ZINC000462790919 566352395 /nfs/dbraw/zinc/35/23/95/566352395.db2.gz WHRWARWSWXIWPN-FATZIPQQSA-N -1 3 398.322 3.373 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000536130745 566352909 /nfs/dbraw/zinc/35/29/09/566352909.db2.gz TWSOKKHGFLIAPI-CXAGYDPISA-N -1 3 385.869 3.011 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCOC2)C1 ZINC000536130749 566353086 /nfs/dbraw/zinc/35/30/86/566353086.db2.gz TWSOKKHGFLIAPI-SUMWQHHRSA-N -1 3 385.869 3.011 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1)OC ZINC000421165764 566353406 /nfs/dbraw/zinc/35/34/06/566353406.db2.gz NOOLVJZCCANORI-SECBINFHSA-N -1 3 377.331 3.474 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1)OC ZINC000421165767 566353635 /nfs/dbraw/zinc/35/36/35/566353635.db2.gz NOOLVJZCCANORI-VIFPVBQESA-N -1 3 377.331 3.474 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H](c2ccc(SC)cc2)N(C)C)s1 ZINC000557027545 566355981 /nfs/dbraw/zinc/35/59/81/566355981.db2.gz DGFUMBXVNZIYSD-CQSZACIVSA-N -1 3 385.580 3.009 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(F)c(C(=O)OC(C)(C)C)c1Cl ZINC000600665250 566356304 /nfs/dbraw/zinc/35/63/04/566356304.db2.gz PVNGSOPQVVZOAM-SECBINFHSA-N -1 3 381.853 3.211 20 0 GGADHM COc1cc(C(=O)NC[C@H](C)Oc2ccccc2Br)ccc1[O-] ZINC000510027507 566356617 /nfs/dbraw/zinc/35/66/17/566356617.db2.gz HXUNQWORQFQLGZ-NSHDSACASA-N -1 3 380.238 3.361 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c(C)o1 ZINC000510020640 566356666 /nfs/dbraw/zinc/35/66/66/566356666.db2.gz NBBAXIIGDADSMC-UHFFFAOYSA-N -1 3 382.791 3.485 20 0 GGADHM CC1(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000510028831 566356811 /nfs/dbraw/zinc/35/68/11/566356811.db2.gz ZYRAFDMXWAHPQR-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000421230236 566357148 /nfs/dbraw/zinc/35/71/48/566357148.db2.gz HRUSLQMHLVEGRH-NSHDSACASA-N -1 3 379.404 3.385 20 0 GGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421235771 566357239 /nfs/dbraw/zinc/35/72/39/566357239.db2.gz STMUIXLRNAGIBH-JTQLQIEISA-N -1 3 393.843 3.061 20 0 GGADHM COc1cc(C(=O)NC[C@@H](C)Oc2ccccc2Br)ccc1[O-] ZINC000510027506 566357392 /nfs/dbraw/zinc/35/73/92/566357392.db2.gz HXUNQWORQFQLGZ-LLVKDONJSA-N -1 3 380.238 3.361 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)c2cc(Br)ccc2Br)c1C ZINC000483063674 566357399 /nfs/dbraw/zinc/35/73/99/566357399.db2.gz PNQRDVSFHFKRAC-UHFFFAOYSA-N -1 3 387.075 3.480 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2c(F)cccc2F)c(C)s1 ZINC000600667947 566357363 /nfs/dbraw/zinc/35/73/63/566357363.db2.gz GMLSWLJWNXKAOD-UHFFFAOYSA-N -1 3 375.418 3.106 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N1CC(COc2ccccc2)C1 ZINC000557042868 566357437 /nfs/dbraw/zinc/35/74/37/566357437.db2.gz ZKBOXPFSNUBNCP-UHFFFAOYSA-N -1 3 376.250 3.235 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(F)c(C(=O)OC(C)(C)C)c1Cl ZINC000600665255 566357672 /nfs/dbraw/zinc/35/76/72/566357672.db2.gz PVNGSOPQVVZOAM-VIFPVBQESA-N -1 3 381.853 3.211 20 0 GGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421235778 566357894 /nfs/dbraw/zinc/35/78/94/566357894.db2.gz STMUIXLRNAGIBH-SNVBAGLBSA-N -1 3 393.843 3.061 20 0 GGADHM COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000536212314 566358209 /nfs/dbraw/zinc/35/82/09/566358209.db2.gz AXSWCDSXCDDZPD-LLVKDONJSA-N -1 3 383.853 3.103 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)cs1 ZINC000576568429 566359164 /nfs/dbraw/zinc/35/91/64/566359164.db2.gz UKLCKKDQFAQMGV-SECBINFHSA-N -1 3 378.479 3.159 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1F ZINC000446631752 566359934 /nfs/dbraw/zinc/35/99/34/566359934.db2.gz OVFSTPAXJJNKNY-UHFFFAOYSA-N -1 3 385.800 3.269 20 0 GGADHM O=C(C[C@H]1C=CCCC1)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557094771 566360650 /nfs/dbraw/zinc/36/06/50/566360650.db2.gz VTDSYXFWPVIICB-LBPRGKRZSA-N -1 3 391.320 3.134 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557091031 566360837 /nfs/dbraw/zinc/36/08/37/566360837.db2.gz JOLZGHGBYDQVNE-ZBEGNZNMSA-N -1 3 393.336 3.070 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000557095467 566362283 /nfs/dbraw/zinc/36/22/83/566362283.db2.gz XAINFURFZQWVSJ-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM O=C(Nc1ccc(Br)cc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000576601792 566362428 /nfs/dbraw/zinc/36/24/28/566362428.db2.gz OCJJHSYCJXXPCQ-UHFFFAOYSA-N -1 3 383.633 3.188 20 0 GGADHM CC(C)c1n[n-]c(CNc2ccc(-c3ccc(Br)s3)nn2)n1 ZINC000649398151 566362967 /nfs/dbraw/zinc/36/29/67/566362967.db2.gz FTMLJMWKQHRTEN-UHFFFAOYSA-N -1 3 379.287 3.243 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1nc2c(s1)CCC2 ZINC000557095666 566363017 /nfs/dbraw/zinc/36/30/17/566363017.db2.gz NYWLXCSOWDKFRO-ZETCQYMHSA-N -1 3 393.353 3.495 20 0 GGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000536316108 566364177 /nfs/dbraw/zinc/36/41/77/566364177.db2.gz HZLSQLURYQCKKY-LBPRGKRZSA-N -1 3 377.491 3.214 20 0 GGADHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2nc3ccccc3[nH]2)c1 ZINC000576649503 566365261 /nfs/dbraw/zinc/36/52/61/566365261.db2.gz AMOQJTQTADSOEG-UHFFFAOYSA-N -1 3 396.266 3.276 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)cs1 ZINC000600787187 566365505 /nfs/dbraw/zinc/36/55/05/566365505.db2.gz OJYXXXLBJPXABB-VHSXEESVSA-N -1 3 387.552 3.004 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)nc1C1CC1 ZINC000536334713 566366068 /nfs/dbraw/zinc/36/60/68/566366068.db2.gz WRNKJPBWVCXTTJ-SECBINFHSA-N -1 3 379.463 3.367 20 0 GGADHM COCCC[C@@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000483223477 566366212 /nfs/dbraw/zinc/36/62/12/566366212.db2.gz LIQHKMCKVDQXIO-SNVBAGLBSA-N -1 3 384.249 3.401 20 0 GGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000600779075 566366187 /nfs/dbraw/zinc/36/61/87/566366187.db2.gz MBEJKBOUWINQRP-LLVKDONJSA-N -1 3 381.325 3.155 20 0 GGADHM COCCC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000483221939 566366394 /nfs/dbraw/zinc/36/63/94/566366394.db2.gz HQOANADVMNCMHG-SECBINFHSA-N -1 3 385.237 3.375 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1c1ccccc1)c1cncc(Br)c1 ZINC000600791485 566367279 /nfs/dbraw/zinc/36/72/79/566367279.db2.gz KGEKVVVRHQUOFD-CVEARBPZSA-N -1 3 381.295 3.459 20 0 GGADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000536353742 566367512 /nfs/dbraw/zinc/36/75/12/566367512.db2.gz GRZYBHPRAHSHJT-VIFPVBQESA-N -1 3 377.227 3.238 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000576664119 566367606 /nfs/dbraw/zinc/36/76/06/566367606.db2.gz AHPTVXFFRKBPEE-AWEZNQCLSA-N -1 3 379.787 3.423 20 0 GGADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000446823277 566368395 /nfs/dbraw/zinc/36/83/95/566368395.db2.gz KOWCAHNLOGMTGC-UHFFFAOYSA-N -1 3 398.257 3.417 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2nc3cc(Br)ccc3n2CC)cs1 ZINC000510173844 566368833 /nfs/dbraw/zinc/36/88/33/566368833.db2.gz BZIVTTXJOWPDNO-UHFFFAOYSA-N -1 3 394.298 3.381 20 0 GGADHM COc1cc(CNC2([C@H](C)C(=O)[O-])CC2)cc(Br)c1OC(F)F ZINC000649509547 566369059 /nfs/dbraw/zinc/36/90/59/566369059.db2.gz BEWAXIXPPPEMOB-MRVPVSSYSA-N -1 3 394.212 3.402 20 0 GGADHM COc1ccc(CNC(C)(C)c2cn(C(C)C)nn2)c(Br)c1[O-] ZINC000421404372 566371719 /nfs/dbraw/zinc/37/17/19/566371719.db2.gz PKOIJOXTTQZLKM-UHFFFAOYSA-N -1 3 383.290 3.361 20 0 GGADHM COCC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCC1 ZINC000557197866 566371863 /nfs/dbraw/zinc/37/18/63/566371863.db2.gz UAIDQHBGVXTKIB-UHFFFAOYSA-N -1 3 399.672 3.243 20 0 GGADHM COCC1(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCC1 ZINC000557197866 566371866 /nfs/dbraw/zinc/37/18/66/566371866.db2.gz UAIDQHBGVXTKIB-UHFFFAOYSA-N -1 3 399.672 3.243 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl ZINC000576743778 566374195 /nfs/dbraw/zinc/37/41/95/566374195.db2.gz VSSMALKVNXTCKW-RHSMWYFYSA-N -1 3 386.300 3.438 20 0 GGADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1=O ZINC000576750571 566374397 /nfs/dbraw/zinc/37/43/97/566374397.db2.gz FYQBJRUFEJFMDD-OAHLLOKOSA-N -1 3 380.897 3.171 20 0 GGADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1=O ZINC000576750567 566374704 /nfs/dbraw/zinc/37/47/04/566374704.db2.gz FYQBJRUFEJFMDD-HNNXBMFYSA-N -1 3 380.897 3.171 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)C1CCC(C(C)(C)C)CC1 ZINC000557291749 566375572 /nfs/dbraw/zinc/37/55/72/566375572.db2.gz MKDAJBIXTZLLMW-WLYUNCDWSA-N -1 3 386.583 3.478 20 0 GGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000510360955 566377866 /nfs/dbraw/zinc/37/78/66/566377866.db2.gz ASVZHYDSIRWJAF-QMTHXVAHSA-N -1 3 376.400 3.105 20 0 GGADHM C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000463032332 566378695 /nfs/dbraw/zinc/37/86/95/566378695.db2.gz IEXZDDFUUQDHIO-HNNXBMFYSA-N -1 3 384.567 3.235 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nccn2C)C2CC2)c(Cl)c1Cl ZINC000510382983 566378977 /nfs/dbraw/zinc/37/89/77/566378977.db2.gz WNGRNXSOTCQBQD-AWEZNQCLSA-N -1 3 390.292 3.165 20 0 GGADHM CCCCn1c(=O)[n-]nc1SCCOc1ccc(C(=O)OC)cc1Cl ZINC000463049700 566379754 /nfs/dbraw/zinc/37/97/54/566379754.db2.gz UEIVTTGPQVPPNZ-UHFFFAOYSA-N -1 3 385.873 3.395 20 0 GGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccco1 ZINC000510395847 566379937 /nfs/dbraw/zinc/37/99/37/566379937.db2.gz SDNUMAAEQRSDBN-IUODEOHRSA-N -1 3 386.901 3.349 20 0 GGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)c1ccco1 ZINC000510417865 566380912 /nfs/dbraw/zinc/38/09/12/566380912.db2.gz YEJHBJANLZBUJJ-GHMZBOCLSA-N -1 3 391.287 3.043 20 0 GGADHM CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1cc(C)nc(=O)[n-]1 ZINC000447057549 566381153 /nfs/dbraw/zinc/38/11/53/566381153.db2.gz FPPFSTWLFFJQPS-LBPRGKRZSA-N -1 3 376.254 3.230 20 0 GGADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)c1ccco1 ZINC000510417868 566381551 /nfs/dbraw/zinc/38/15/51/566381551.db2.gz YEJHBJANLZBUJJ-WDEREUQCSA-N -1 3 391.287 3.043 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2Cl)cc1 ZINC000649659886 566382137 /nfs/dbraw/zinc/38/21/37/566382137.db2.gz MPHODQONFKBQQJ-UHFFFAOYSA-N -1 3 380.897 3.436 20 0 GGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccco1 ZINC000510434068 566382536 /nfs/dbraw/zinc/38/25/36/566382536.db2.gz ASMDQRXTNKIPIZ-YGRLFVJLSA-N -1 3 376.400 3.105 20 0 GGADHM CC(C)(C)OC(=O)c1ccsc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421534902 566383006 /nfs/dbraw/zinc/38/30/06/566383006.db2.gz UDSRKTAYUOMKOZ-UHFFFAOYSA-N -1 3 387.504 3.421 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C2CC2)c(Br)c1 ZINC000536552554 566383168 /nfs/dbraw/zinc/38/31/68/566383168.db2.gz CJLCFMNVMYSHQV-UHFFFAOYSA-N -1 3 390.299 3.093 20 0 GGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccco1 ZINC000510434067 566383490 /nfs/dbraw/zinc/38/34/90/566383490.db2.gz ASMDQRXTNKIPIZ-QMTHXVAHSA-N -1 3 376.400 3.105 20 0 GGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000601016059 566383735 /nfs/dbraw/zinc/38/37/35/566383735.db2.gz SCFUUINGGRHWEI-UHFFFAOYSA-N -1 3 382.873 3.247 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000670856859 566383792 /nfs/dbraw/zinc/38/37/92/566383792.db2.gz HBCRACCFRHZEBV-QMMMGPOBSA-N -1 3 393.412 3.160 20 0 GGADHM C[C@H](O)C[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000626091539 566383821 /nfs/dbraw/zinc/38/38/21/566383821.db2.gz ANTLGMHBHWQISF-WFASDCNBSA-N -1 3 378.266 3.439 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000536577712 566384146 /nfs/dbraw/zinc/38/41/46/566384146.db2.gz SGGXQSPZDLDIPO-SECBINFHSA-N -1 3 380.242 3.400 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000536577712 566384163 /nfs/dbraw/zinc/38/41/63/566384163.db2.gz SGGXQSPZDLDIPO-SECBINFHSA-N -1 3 380.242 3.400 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cc(Cl)sc1Cl ZINC000536600010 566386738 /nfs/dbraw/zinc/38/67/38/566386738.db2.gz QTLYAGYPXUIAES-SSDOTTSWSA-N -1 3 399.346 3.100 20 0 GGADHM CN(C)c1cc(C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)ccn1 ZINC000463161184 566387100 /nfs/dbraw/zinc/38/71/00/566387100.db2.gz MQXZQGXFQVNNSH-UHFFFAOYSA-N -1 3 377.235 3.492 20 0 GGADHM CC(C)CCC(=O)NCC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463162878 566387363 /nfs/dbraw/zinc/38/73/63/566387363.db2.gz RHAGYYQJCMLRKE-UHFFFAOYSA-N -1 3 384.267 3.269 20 0 GGADHM O=C(CCOC1CCOCC1)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463162469 566387455 /nfs/dbraw/zinc/38/74/55/566387455.db2.gz BIDAHXCFVUUCHQ-UHFFFAOYSA-N -1 3 385.251 3.303 20 0 GGADHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000510487462 566387881 /nfs/dbraw/zinc/38/78/81/566387881.db2.gz GRZPNCXCTAFAPV-DGCLKSJQSA-N -1 3 386.926 3.414 20 0 GGADHM CC[C@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CC(=O)N1 ZINC000463164342 566388100 /nfs/dbraw/zinc/38/81/00/566388100.db2.gz FMJAQKTTXRYGTR-SCZZXKLOSA-N -1 3 382.251 3.022 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000447135818 566388951 /nfs/dbraw/zinc/38/89/51/566388951.db2.gz IKPVWZJWVLBVEP-UHFFFAOYSA-N -1 3 391.262 3.180 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000447138240 566389122 /nfs/dbraw/zinc/38/91/22/566389122.db2.gz KOBHPTSHDSCKEG-UHFFFAOYSA-N -1 3 391.262 3.180 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000463173790 566389243 /nfs/dbraw/zinc/38/92/43/566389243.db2.gz VHOAJQLNWLUPFS-HUUCEWRRSA-N -1 3 384.567 3.234 20 0 GGADHM NC(=O)c1cccc(C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)c1 ZINC000463170295 566389764 /nfs/dbraw/zinc/38/97/64/566389764.db2.gz KSOPNEDTJYDMLY-UHFFFAOYSA-N -1 3 376.203 3.130 20 0 GGADHM CC1CCN(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000557495434 566391088 /nfs/dbraw/zinc/39/10/88/566391088.db2.gz CUVSHEYMQJRFDN-CQSZACIVSA-N -1 3 388.917 3.144 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483555572 566391078 /nfs/dbraw/zinc/39/10/78/566391078.db2.gz HFFAYLXSONSXOL-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483555572 566391081 /nfs/dbraw/zinc/39/10/81/566391081.db2.gz HFFAYLXSONSXOL-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483555572 566391085 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O=C(Nc1nc2c(s1)CSCC2)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000557518739 566392994 /nfs/dbraw/zinc/39/29/94/566392994.db2.gz DLFXTYAWOIEBBR-UHFFFAOYSA-N -1 3 379.413 3.304 20 0 GGADHM COC(=O)[C@H]1CCc2sc([N-]C(=O)c3ncsc3C(F)(F)F)nc2C1 ZINC000421628450 566393116 /nfs/dbraw/zinc/39/31/16/566393116.db2.gz YIOWJVVFWPCNOK-LURJTMIESA-N -1 3 391.396 3.149 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)c(Cl)c2)s1 ZINC000510548856 566393626 /nfs/dbraw/zinc/39/36/26/566393626.db2.gz BRZKNSGXVZYVEJ-ZDUSSCGKSA-N -1 3 395.333 3.469 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cc(F)ccc1F)C1CCC(C(F)(F)F)CC1 ZINC000649783305 566393653 /nfs/dbraw/zinc/39/36/53/566393653.db2.gz WBNAVGANLSBLEN-PFMWSLTASA-N -1 3 387.370 3.039 20 0 GGADHM CN(C)CCOc1cccc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000536685578 566394138 /nfs/dbraw/zinc/39/41/38/566394138.db2.gz ARDVQFBEQILUOM-UHFFFAOYSA-N -1 3 379.254 3.347 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2nnc3ccccn32)c1Cl ZINC000447191073 566394085 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O=C(CNC(=O)c1ccc(Br)cc1)Nc1c([O-])cccc1Cl ZINC000576965717 566395582 /nfs/dbraw/zinc/39/55/82/566395582.db2.gz LXRCHSJLFYEVKU-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM Cc1nc(COc2cccc(C(=O)N=c3[nH][n-]cc3Br)c2)cs1 ZINC000577012332 566396100 /nfs/dbraw/zinc/39/61/00/566396100.db2.gz ULNAGWNDUVCCHA-UHFFFAOYSA-N -1 3 393.266 3.190 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCC(F)(F)C2)ccc1F ZINC000483682259 566396385 /nfs/dbraw/zinc/39/63/85/566396385.db2.gz MEWROMSTTCUTGZ-JTQLQIEISA-N -1 3 378.416 3.276 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1CCCC(F)(F)C1 ZINC000421678620 566397824 /nfs/dbraw/zinc/39/78/24/566397824.db2.gz BUNSUYXGUHWBJN-ZETCQYMHSA-N -1 3 390.150 3.394 20 0 GGADHM CC(=O)c1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)cs1 ZINC000421678659 566397855 /nfs/dbraw/zinc/39/78/55/566397855.db2.gz CEUJKVVALLTETK-UHFFFAOYSA-N -1 3 396.188 3.146 20 0 GGADHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1ccccc1SCC(N)=O ZINC000463287967 566397901 /nfs/dbraw/zinc/39/79/01/566397901.db2.gz OKNVEUPMJJMDDG-UHFFFAOYSA-N -1 3 375.397 3.300 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1Cl ZINC000447260227 566398606 /nfs/dbraw/zinc/39/86/06/566398606.db2.gz YGDRDLQQPCUVFX-UHFFFAOYSA-N -1 3 382.804 3.074 20 0 GGADHM COc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c(C)c1 ZINC000421683816 566398819 /nfs/dbraw/zinc/39/88/19/566398819.db2.gz VGWSRDQUXKGWNK-UHFFFAOYSA-N -1 3 392.175 3.199 20 0 GGADHM Cc1cccc(C)c1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421682919 566398988 /nfs/dbraw/zinc/39/89/88/566398988.db2.gz QVYCZJNBHCBRFF-UHFFFAOYSA-N -1 3 376.176 3.499 20 0 GGADHM COc1c(Br)c(C)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000463299627 566399250 /nfs/dbraw/zinc/39/92/50/566399250.db2.gz FTLUHGOQVGVSFV-UHFFFAOYSA-N -1 3 394.254 3.260 20 0 GGADHM COc1c(Br)c(C)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000463299627 566399259 /nfs/dbraw/zinc/39/92/59/566399259.db2.gz FTLUHGOQVGVSFV-UHFFFAOYSA-N -1 3 394.254 3.260 20 0 GGADHM Cc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)cc1C ZINC000421683994 566399294 /nfs/dbraw/zinc/39/92/94/566399294.db2.gz VZPDTPYABCVNJK-UHFFFAOYSA-N -1 3 376.176 3.499 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccncc1F ZINC000510615071 566399222 /nfs/dbraw/zinc/39/92/22/566399222.db2.gz LINQXFZEBWSQIL-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM CC[C@H](C)c1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)on1 ZINC000421681924 566399653 /nfs/dbraw/zinc/39/96/53/566399653.db2.gz JCSOWIDUBCAJOL-ZETCQYMHSA-N -1 3 395.179 3.384 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccncc1F ZINC000510612821 566399626 /nfs/dbraw/zinc/39/96/26/566399626.db2.gz DQRHDYSOAMIBKS-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@H](Oc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681353 566399801 /nfs/dbraw/zinc/39/98/01/566399801.db2.gz HDHDQDUTMBJOHU-VIFPVBQESA-N -1 3 392.175 3.036 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccnc(C2CC2)c1 ZINC000421682410 566399900 /nfs/dbraw/zinc/39/99/00/566399900.db2.gz NOEHWBGGSOEVNZ-UHFFFAOYSA-N -1 3 389.175 3.155 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)c1 ZINC000510622079 566400000 /nfs/dbraw/zinc/40/00/00/566400000.db2.gz MFDQTERUTSKDJA-VIFPVBQESA-N -1 3 389.246 3.031 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccncc1F ZINC000510615069 566400059 /nfs/dbraw/zinc/40/00/59/566400059.db2.gz LINQXFZEBWSQIL-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CC(=O)c1csc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000421683595 566400110 /nfs/dbraw/zinc/40/01/10/566400110.db2.gz UHSMGYITZVZHJT-UHFFFAOYSA-N -1 3 396.188 3.146 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([O-])ccc1Cl ZINC000577032247 566400267 /nfs/dbraw/zinc/40/02/67/566400267.db2.gz ONJJBFOKLIUNJI-HNNXBMFYSA-N -1 3 383.206 3.373 20 0 GGADHM CCc1ccccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421684487 566401040 /nfs/dbraw/zinc/40/10/40/566401040.db2.gz YBCDEVNPGAPJNT-UHFFFAOYSA-N -1 3 376.176 3.445 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)OC ZINC000510638412 566400854 /nfs/dbraw/zinc/40/08/54/566400854.db2.gz QOPGBXXZEXVNFQ-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000510635669 566401237 /nfs/dbraw/zinc/40/12/37/566401237.db2.gz UVSQSLFOXRUOBW-LLVKDONJSA-N -1 3 390.230 3.156 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(C)(C)C ZINC000510648573 566402248 /nfs/dbraw/zinc/40/22/48/566402248.db2.gz RVMVHHALBJBNPI-AWEZNQCLSA-N -1 3 394.331 3.187 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccncc1F ZINC000510644539 566402893 /nfs/dbraw/zinc/40/28/93/566402893.db2.gz IZQHMNQKIKDHDJ-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM Cn1cc(C=Cc2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)cn1 ZINC000671157845 566403231 /nfs/dbraw/zinc/40/32/31/566403231.db2.gz WLWAVUZXOTUAND-WAYWQWQTSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1cc(C=Cc2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)cn1 ZINC000671157845 566403234 /nfs/dbraw/zinc/40/32/34/566403234.db2.gz WLWAVUZXOTUAND-WAYWQWQTSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1cc(C=Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cn1 ZINC000671157845 566403239 /nfs/dbraw/zinc/40/32/39/566403239.db2.gz WLWAVUZXOTUAND-WAYWQWQTSA-N -1 3 398.224 3.188 20 0 GGADHM CC[C@@H]1CC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000536814274 566403336 /nfs/dbraw/zinc/40/33/36/566403336.db2.gz IYXYOHYTOBGDCO-NWDGAFQWSA-N -1 3 393.336 3.451 20 0 GGADHM CC[C@H]1CC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000536814285 566403538 /nfs/dbraw/zinc/40/35/38/566403538.db2.gz IYXYOHYTOBGDCO-RYUDHWBXSA-N -1 3 393.336 3.451 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000510675850 566403983 /nfs/dbraw/zinc/40/39/83/566403983.db2.gz STLFSUVSTFXGBL-UHFFFAOYSA-N -1 3 391.262 3.407 20 0 GGADHM COc1cc(Br)ccc1CCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000577096469 566404252 /nfs/dbraw/zinc/40/42/52/566404252.db2.gz BUUMSSSKHCMWSM-CYBMUJFWSA-N -1 3 395.301 3.094 20 0 GGADHM COc1cc(Br)ccc1CCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000577096475 566404850 /nfs/dbraw/zinc/40/48/50/566404850.db2.gz BUUMSSSKHCMWSM-ZDUSSCGKSA-N -1 3 395.301 3.094 20 0 GGADHM CN(Cc1ccccc1)C1CN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000557641780 566404776 /nfs/dbraw/zinc/40/47/76/566404776.db2.gz ZJPOIMNGPQGCOM-UHFFFAOYSA-N -1 3 375.266 3.111 20 0 GGADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)C1CCC(C(F)(F)F)CC1 ZINC000649913155 566405233 /nfs/dbraw/zinc/40/52/33/566405233.db2.gz WMCMGRVYBTWRDV-VCJLRHCSSA-N -1 3 385.354 3.439 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccccc1Cl ZINC000671177193 566405443 /nfs/dbraw/zinc/40/54/43/566405443.db2.gz RANPXNCIVQTJGR-HNNXBMFYSA-N -1 3 386.901 3.433 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCCCO1 ZINC000671180959 566405674 /nfs/dbraw/zinc/40/56/74/566405674.db2.gz CAFDTDLNXXBGCN-GXSJLCMTSA-N -1 3 382.707 3.338 20 0 GGADHM O=C([O-])[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1c1ccc(Br)cc1 ZINC000577118015 566405816 /nfs/dbraw/zinc/40/58/16/566405816.db2.gz KTBIYSZQXKBTRD-LSDHHAIUSA-N -1 3 398.688 3.099 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)no1 ZINC000671176664 566406135 /nfs/dbraw/zinc/40/61/35/566406135.db2.gz ZLQSFQNVWJRIQD-UHFFFAOYSA-N -1 3 380.363 3.148 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)n1 ZINC000601442960 566406580 /nfs/dbraw/zinc/40/65/80/566406580.db2.gz MAFKEDVCZLLSBH-SECBINFHSA-N -1 3 388.898 3.185 20 0 GGADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000510730279 566409121 /nfs/dbraw/zinc/40/91/21/566409121.db2.gz DCUAOTRJCUCBOE-BRWVUGGUSA-N -1 3 380.535 3.390 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1C ZINC000577144951 566409462 /nfs/dbraw/zinc/40/94/62/566409462.db2.gz JCFJGBARXGFRBV-UHFFFAOYSA-N -1 3 397.715 3.377 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1cnc(C)s1 ZINC000601500015 566409880 /nfs/dbraw/zinc/40/98/80/566409880.db2.gz TZRUKAKQSAKXAH-SECBINFHSA-N -1 3 396.515 3.492 20 0 GGADHM Cc1cc(C)c(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)c1Br ZINC000626424026 566410122 /nfs/dbraw/zinc/41/01/22/566410122.db2.gz DKPUSANXONPEFG-UHFFFAOYSA-N -1 3 376.254 3.068 20 0 GGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000536899401 566410801 /nfs/dbraw/zinc/41/08/01/566410801.db2.gz DTOLEBNOFACGAI-UHFFFAOYSA-N -1 3 378.475 3.319 20 0 GGADHM COCCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000463446349 566411076 /nfs/dbraw/zinc/41/10/76/566411076.db2.gz WRHOAUBLCWPTAH-UHFFFAOYSA-N -1 3 386.832 3.120 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1OC ZINC000510777999 566411603 /nfs/dbraw/zinc/41/16/03/566411603.db2.gz HRZOMELTXYDXRX-HNNXBMFYSA-N -1 3 381.416 3.412 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccc(Br)cc2Cl)[n-]1 ZINC000447482613 566412092 /nfs/dbraw/zinc/41/20/92/566412092.db2.gz ROTXGLUZDOIERU-UHFFFAOYSA-N -1 3 392.706 3.492 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000557725370 566412520 /nfs/dbraw/zinc/41/25/20/566412520.db2.gz QCYQWXIGZGBATL-PELKAZGASA-N -1 3 391.465 3.136 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000557725373 566412710 /nfs/dbraw/zinc/41/27/10/566412710.db2.gz QCYQWXIGZGBATL-UFBFGSQYSA-N -1 3 391.465 3.136 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000510775237 566412855 /nfs/dbraw/zinc/41/28/55/566412855.db2.gz AWKMKEQMTSNOMA-BMIGLBTASA-N -1 3 381.523 3.076 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000557725372 566413006 /nfs/dbraw/zinc/41/30/06/566413006.db2.gz QCYQWXIGZGBATL-QPUJVOFHSA-N -1 3 391.465 3.136 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccncc1Cl ZINC000421853634 566413862 /nfs/dbraw/zinc/41/38/62/566413862.db2.gz KBSNGKVRZNWPGH-JTQLQIEISA-N -1 3 392.283 3.157 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc2c(Cl)ccnc21 ZINC000650012727 566414141 /nfs/dbraw/zinc/41/41/41/566414141.db2.gz ISGHUNNXAUZZBT-XPTSAGLGSA-N -1 3 394.802 3.012 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ncccc1Br ZINC000484068982 566415008 /nfs/dbraw/zinc/41/50/08/566415008.db2.gz DOTAGYTUTDYRQK-UHFFFAOYSA-N -1 3 396.266 3.147 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1F ZINC000510820637 566415318 /nfs/dbraw/zinc/41/53/18/566415318.db2.gz KVPVVKKRKAMUDR-AWEZNQCLSA-N -1 3 380.466 3.164 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc2c(Cl)ccnc21 ZINC000650012728 566415813 /nfs/dbraw/zinc/41/58/13/566415813.db2.gz ISGHUNNXAUZZBT-YMTOWFKASA-N -1 3 394.802 3.012 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]c3c(F)cc(Cl)cc3F)cnc2c1Cl ZINC000536990067 566416025 /nfs/dbraw/zinc/41/60/25/566416025.db2.gz LBAKBAIRYDRLRI-UHFFFAOYSA-N -1 3 393.202 3.424 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)s1 ZINC000650034317 566417426 /nfs/dbraw/zinc/41/74/26/566417426.db2.gz YMIKMBAHQBMFEA-AAEUAGOBSA-N -1 3 396.559 3.113 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)s1 ZINC000650053010 566418185 /nfs/dbraw/zinc/41/81/85/566418185.db2.gz QKSASTJHLOZUAA-PWSUYJOCSA-N -1 3 380.482 3.049 20 0 GGADHM CC(=O)Nc1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cn1 ZINC000447609643 566418637 /nfs/dbraw/zinc/41/86/37/566418637.db2.gz MYMPLTGHLDMAAE-UHFFFAOYSA-N -1 3 375.841 3.075 20 0 GGADHM Cc1c(Br)ccc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1F ZINC000447640791 566419554 /nfs/dbraw/zinc/41/95/54/566419554.db2.gz UVZWTRNNLNDCIR-UHFFFAOYSA-N -1 3 376.203 3.145 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c(F)c1 ZINC000537036980 566419646 /nfs/dbraw/zinc/41/96/46/566419646.db2.gz HSBAOVPJCSYASH-UHFFFAOYSA-N -1 3 391.873 3.133 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)cc(F)c1 ZINC000510929929 566420053 /nfs/dbraw/zinc/42/00/53/566420053.db2.gz PMIKHZXGYWKHJX-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1ncc(OC)cn1 ZINC000601704795 566420094 /nfs/dbraw/zinc/42/00/94/566420094.db2.gz KBQXZBUIODGXQW-UHFFFAOYSA-N -1 3 381.841 3.046 20 0 GGADHM CC(C)n1cc(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000463610049 566420713 /nfs/dbraw/zinc/42/07/13/566420713.db2.gz ILMFIOJHOVRZBJ-UHFFFAOYSA-N -1 3 375.230 3.264 20 0 GGADHM CC(C)n1cc(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000463610049 566420716 /nfs/dbraw/zinc/42/07/16/566420716.db2.gz ILMFIOJHOVRZBJ-UHFFFAOYSA-N -1 3 375.230 3.264 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CN1C1CC1 ZINC000447646982 566421006 /nfs/dbraw/zinc/42/10/06/566421006.db2.gz WYDWWJWJXFXIQT-KOLCDFICSA-N -1 3 382.835 3.262 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)[nH]2)c1Cl ZINC000650082219 566421499 /nfs/dbraw/zinc/42/14/99/566421499.db2.gz GBEHULZYKKYVEC-UHFFFAOYSA-N -1 3 375.281 3.084 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557811455 566421691 /nfs/dbraw/zinc/42/16/91/566421691.db2.gz CMQMEGWZPAPJFB-RISCZKNCSA-N -1 3 399.310 3.233 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCOCC1 ZINC000557816889 566421895 /nfs/dbraw/zinc/42/18/95/566421895.db2.gz OPHMDIPXYWUEOD-LBPRGKRZSA-N -1 3 385.379 3.208 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)C ZINC000557818398 566422221 /nfs/dbraw/zinc/42/22/21/566422221.db2.gz VVCSEDLKEAJFMK-LBPRGKRZSA-N -1 3 387.395 3.454 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000557828890 566424467 /nfs/dbraw/zinc/42/44/67/566424467.db2.gz UMPAPOQNEHXQPN-UHFFFAOYSA-N -1 3 379.331 3.211 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1c(F)cncc1F ZINC000510965635 566424496 /nfs/dbraw/zinc/42/44/96/566424496.db2.gz HPDYDQOLFQYZFA-QMMMGPOBSA-N -1 3 382.310 3.298 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCc3ccc(C(C)C)cc32)s1 ZINC000557831709 566424868 /nfs/dbraw/zinc/42/48/68/566424868.db2.gz FQVTTXOCKNLUBE-HNNXBMFYSA-N -1 3 379.507 3.191 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000650119859 566425455 /nfs/dbraw/zinc/42/54/55/566425455.db2.gz PLCASTNBMGJZTC-JGVFFNPUSA-N -1 3 393.715 3.207 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000557832631 566425404 /nfs/dbraw/zinc/42/54/04/566425404.db2.gz AZKGROPFUDIKSQ-HUUCEWRRSA-N -1 3 379.507 3.106 20 0 GGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)Cc1ccccc1Br)CO2 ZINC000557838623 566426977 /nfs/dbraw/zinc/42/69/77/566426977.db2.gz JTMJLOCCEXGEHH-HNNXBMFYSA-N -1 3 382.279 3.311 20 0 GGADHM COC(=O)[C@@H](CNC(=O)c1sccc1SC)Cc1ccc([O-])c(F)c1 ZINC000422035813 566427676 /nfs/dbraw/zinc/42/76/76/566427676.db2.gz HLDAVCRMVOQENV-LLVKDONJSA-N -1 3 383.466 3.076 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000557845104 566428021 /nfs/dbraw/zinc/42/80/21/566428021.db2.gz VGCWHNGZWCBAKZ-UHFFFAOYSA-N -1 3 378.347 3.160 20 0 GGADHM CC(C)SCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000557853987 566428375 /nfs/dbraw/zinc/42/83/75/566428375.db2.gz CAALVESBFUSBJE-CYBMUJFWSA-N -1 3 393.958 3.175 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1c(F)cncc1F ZINC000511037145 566429352 /nfs/dbraw/zinc/42/93/52/566429352.db2.gz XZGNQFOSDULXLW-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC(c2ccccc2F)C1 ZINC000463712413 566429208 /nfs/dbraw/zinc/42/92/08/566429208.db2.gz CQVIFJJEMIOQIC-UHFFFAOYSA-N -1 3 389.228 3.289 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1c(F)cncc1F ZINC000511035019 566429576 /nfs/dbraw/zinc/42/95/76/566429576.db2.gz YGJYKECJXMMRSL-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)cc1OC ZINC000447790276 566429669 /nfs/dbraw/zinc/42/96/69/566429669.db2.gz ZNXGSOVOJGHATI-UHFFFAOYSA-N -1 3 381.841 3.343 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cccc2c1OCCCO2 ZINC000650158321 566429748 /nfs/dbraw/zinc/42/97/48/566429748.db2.gz FLIMTFOFEGWPOH-UHFFFAOYSA-N -1 3 383.809 3.031 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1c(F)cncc1F ZINC000511026900 566429971 /nfs/dbraw/zinc/42/99/71/566429971.db2.gz GIRDCUFRAHGEHD-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]Cc1nccc(C(F)F)n1 ZINC000557862499 566430615 /nfs/dbraw/zinc/43/06/15/566430615.db2.gz UNNWHMYYGNGXDQ-UHFFFAOYSA-N -1 3 381.326 3.053 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(Cl)cn1 ZINC000511038960 566430885 /nfs/dbraw/zinc/43/08/85/566430885.db2.gz XTTXDGAGWHUIBL-SNVBAGLBSA-N -1 3 392.283 3.157 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000557865002 566431674 /nfs/dbraw/zinc/43/16/74/566431674.db2.gz YVIPFJBSJBIUEF-VFZGTOFNSA-N -1 3 386.242 3.389 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000557864997 566432354 /nfs/dbraw/zinc/43/23/54/566432354.db2.gz YVIPFJBSJBIUEF-PSLIRLAXSA-N -1 3 386.242 3.389 20 0 GGADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N=c1[nH][n-]cc1Br ZINC000577399233 566432550 /nfs/dbraw/zinc/43/25/50/566432550.db2.gz VXKMYXPUXDKVTF-MRVPVSSYSA-N -1 3 376.176 3.430 20 0 GGADHM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000511059598 566433064 /nfs/dbraw/zinc/43/30/64/566433064.db2.gz BGELQRQNGOEZAO-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM CCC[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccnc1 ZINC000511055168 566433079 /nfs/dbraw/zinc/43/30/79/566433079.db2.gz VXUPRWOOKSBFAV-INIZCTEOSA-N -1 3 385.892 3.283 20 0 GGADHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000537234149 566433919 /nfs/dbraw/zinc/43/39/19/566433919.db2.gz AQMLJKNBNZAROR-OZUAJXCXSA-N -1 3 393.281 3.080 20 0 GGADHM CCN(CCOC)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000557926579 566435303 /nfs/dbraw/zinc/43/53/03/566435303.db2.gz ULPFNGNBFRSJIX-UHFFFAOYSA-N -1 3 387.661 3.053 20 0 GGADHM CCN(CCOC)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000557926579 566435312 /nfs/dbraw/zinc/43/53/12/566435312.db2.gz ULPFNGNBFRSJIX-UHFFFAOYSA-N -1 3 387.661 3.053 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cc1 ZINC000671662611 566435402 /nfs/dbraw/zinc/43/54/02/566435402.db2.gz ALZKHTFIDVJSNM-UHFFFAOYSA-N -1 3 384.860 3.267 20 0 GGADHM COC(=O)c1cnc(SCc2csc(-c3ccc4c(c3)OCO4)n2)[n-]1 ZINC000484562727 566435607 /nfs/dbraw/zinc/43/56/07/566435607.db2.gz ZLGGHRGNJPTCQH-UHFFFAOYSA-N -1 3 375.431 3.341 20 0 GGADHM 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Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc(F)c(F)cc2Br)s1 ZINC000511428528 566463665 /nfs/dbraw/zinc/46/36/65/566463665.db2.gz IKOODLCNZASWCB-UHFFFAOYSA-N -1 3 397.266 3.279 20 0 GGADHM COc1cccc(Cl)c1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484896986 566463842 /nfs/dbraw/zinc/46/38/42/566463842.db2.gz ZOYDOXWOGXPFQI-UHFFFAOYSA-N -1 3 377.231 3.472 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1c(OC)cccc1OC(F)(F)F ZINC000511432008 566464103 /nfs/dbraw/zinc/46/41/03/566464103.db2.gz ZIFCYOPQEYLORK-UHFFFAOYSA-N -1 3 397.396 3.142 20 0 GGADHM CCCN(CCN1CCCCC1)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000558330174 566464282 /nfs/dbraw/zinc/46/42/82/566464282.db2.gz QTPBIBFJTIXLER-UHFFFAOYSA-N -1 3 379.555 3.418 20 0 GGADHM CCC(CC)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000464320246 566465237 /nfs/dbraw/zinc/46/52/37/566465237.db2.gz MFXOLUOTLJZIEF-GOSISDBHSA-N -1 3 380.535 3.320 20 0 GGADHM CCc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000672112226 566465574 /nfs/dbraw/zinc/46/55/74/566465574.db2.gz ISGJNUQDRDMLNJ-UHFFFAOYSA-N -1 3 376.862 3.020 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCN1C ZINC000577805567 566465616 /nfs/dbraw/zinc/46/56/16/566465616.db2.gz YSYVISFOJUHIBL-AWEZNQCLSA-N -1 3 392.297 3.115 20 0 GGADHM CCOC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000577800105 566465702 /nfs/dbraw/zinc/46/57/02/566465702.db2.gz WLLLLGIHJJZVOV-HNNXBMFYSA-N -1 3 381.270 3.082 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000577801040 566465922 /nfs/dbraw/zinc/46/59/22/566465922.db2.gz QHYUDUDRPGRJEQ-SNVBAGLBSA-N -1 3 389.857 3.293 20 0 GGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ncccc1OCC(F)(F)F ZINC000484974599 566466370 /nfs/dbraw/zinc/46/63/70/566466370.db2.gz PHOMFAUGFZOOQZ-UHFFFAOYSA-N -1 3 386.277 3.231 20 0 GGADHM C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)(C)C ZINC000672164484 566468896 /nfs/dbraw/zinc/46/88/96/566468896.db2.gz CDWYAZUDOYNHRO-JTQLQIEISA-N -1 3 381.325 3.070 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c1 ZINC000464365691 566469680 /nfs/dbraw/zinc/46/96/80/566469680.db2.gz OKKDUDFCWYGVSN-SSDOTTSWSA-N -1 3 376.194 3.077 20 0 GGADHM CCCN(C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC000577862770 566470844 /nfs/dbraw/zinc/47/08/44/566470844.db2.gz INBSUHWRROAJCE-UHFFFAOYSA-N -1 3 396.340 3.102 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC000558432647 566472777 /nfs/dbraw/zinc/47/27/77/566472777.db2.gz AHULQCBYDUJUBE-UHFFFAOYSA-N -1 3 395.746 3.275 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)cc1F ZINC000558442919 566473545 /nfs/dbraw/zinc/47/35/45/566473545.db2.gz RQFAIVBNHDBLJM-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000537842556 566475981 /nfs/dbraw/zinc/47/59/81/566475981.db2.gz WTKVZICJEOUXQG-UHFFFAOYSA-N -1 3 391.312 3.010 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C2CC2)s1 ZINC000558470825 566476269 /nfs/dbraw/zinc/47/62/69/566476269.db2.gz OEAXYMKTACSXSE-QGZVFWFLSA-N -1 3 376.503 3.400 20 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GGADHM Cc1csc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)n1 ZINC000672376419 566484737 /nfs/dbraw/zinc/48/47/37/566484737.db2.gz HHSOTUZCRILFAN-UHFFFAOYSA-N -1 3 384.376 3.010 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672384823 566485407 /nfs/dbraw/zinc/48/54/07/566485407.db2.gz GHNIIGQUOLRABS-QMMMGPOBSA-N -1 3 382.335 3.369 20 0 GGADHM CCSc1nnc([N-]C(=O)c2cnn(-c3ccccc3)c2COC)s1 ZINC000464568388 566486487 /nfs/dbraw/zinc/48/64/87/566486487.db2.gz GKCYLOQQAMWVAA-UHFFFAOYSA-N -1 3 375.479 3.235 20 0 GGADHM Cc1ncsc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000558564411 566487374 /nfs/dbraw/zinc/48/73/74/566487374.db2.gz PNXFBUBOTLJYFL-UHFFFAOYSA-N -1 3 394.305 3.065 20 0 GGADHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)sc1C ZINC000538014582 566487485 /nfs/dbraw/zinc/48/74/85/566487485.db2.gz BXYZTFVQZZDVOD-UHFFFAOYSA-N -1 3 376.297 3.312 20 0 GGADHM CCCCn1cc(C[N-]S(=O)(=O)c2sccc2Br)c(C)n1 ZINC000538014226 566487594 /nfs/dbraw/zinc/48/75/94/566487594.db2.gz TXJRFCUMWOYEAG-UHFFFAOYSA-N -1 3 392.344 3.294 20 0 GGADHM O=C(c1cc(=O)[n-]cn1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000627555630 566488595 /nfs/dbraw/zinc/48/85/95/566488595.db2.gz UWQVKUYBTHCOKA-ZDUSSCGKSA-N -1 3 376.254 3.182 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000672428851 566489834 /nfs/dbraw/zinc/48/98/34/566489834.db2.gz CQXQHEOXWYBERT-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM Cc1sc(Br)cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000672430481 566490315 /nfs/dbraw/zinc/49/03/15/566490315.db2.gz HZHWUOZLFAGXFX-UHFFFAOYSA-N -1 3 378.235 3.438 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000672428852 566490419 /nfs/dbraw/zinc/49/04/19/566490419.db2.gz CQXQHEOXWYBERT-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000672430586 566490489 /nfs/dbraw/zinc/49/04/89/566490489.db2.gz ZCJXMSRGEKXUMO-UHFFFAOYSA-N -1 3 388.205 3.077 20 0 GGADHM O=C(NC[C@H]1Cc2ccccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602750911 566491481 /nfs/dbraw/zinc/49/14/81/566491481.db2.gz NPTUQGRFNJFBCN-GFCCVEGCSA-N -1 3 383.245 3.360 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC000578107726 566491704 /nfs/dbraw/zinc/49/17/04/566491704.db2.gz TXOZXVBYRGCMQW-CQSZACIVSA-N -1 3 386.279 3.027 20 0 GGADHM O=C(NCCOC1CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753967 566491852 /nfs/dbraw/zinc/49/18/52/566491852.db2.gz HCIGSIZHPYQFQE-UHFFFAOYSA-N -1 3 393.281 3.370 20 0 GGADHM Cc1nc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cs1 ZINC000602740727 566492102 /nfs/dbraw/zinc/49/21/02/566492102.db2.gz BLNQJZWXKPLXQF-UHFFFAOYSA-N -1 3 392.278 3.028 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCC[C@@H](CO)C3)s2)cs1 ZINC000672438577 566492299 /nfs/dbraw/zinc/49/22/99/566492299.db2.gz MCOKJTIZUQFXIH-QWHCGFSZSA-N -1 3 386.564 3.257 20 0 GGADHM COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2c(C)cccc2[O-])c1 ZINC000627610570 566492578 /nfs/dbraw/zinc/49/25/78/566492578.db2.gz WMTOWCLYYIPXFI-HNNXBMFYSA-N -1 3 394.265 3.277 20 0 GGADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000578129695 566492678 /nfs/dbraw/zinc/49/26/78/566492678.db2.gz XONRSIPXYDAFAN-GHMZBOCLSA-N -1 3 383.363 3.051 20 0 GGADHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511865326 566492770 /nfs/dbraw/zinc/49/27/70/566492770.db2.gz XDKDFEADHSLTPL-SECBINFHSA-N -1 3 378.928 3.009 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1C1CCCCC1 ZINC000511867805 566492803 /nfs/dbraw/zinc/49/28/03/566492803.db2.gz MBWGXRWXDYIUEK-ZDUSSCGKSA-N -1 3 390.958 3.251 20 0 GGADHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511860269 566492846 /nfs/dbraw/zinc/49/28/46/566492846.db2.gz RLLBFBRIUSHTPM-SNVBAGLBSA-N -1 3 392.955 3.399 20 0 GGADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000578129696 566493712 /nfs/dbraw/zinc/49/37/12/566493712.db2.gz XONRSIPXYDAFAN-MNOVXSKESA-N -1 3 383.363 3.051 20 0 GGADHM Cn1ncc2ccc(C[N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc21 ZINC000558644855 566494666 /nfs/dbraw/zinc/49/46/66/566494666.db2.gz OPWLZYFXULXLSA-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000578132447 566494977 /nfs/dbraw/zinc/49/49/77/566494977.db2.gz GHZISRFHNOGFPW-KOLCDFICSA-N -1 3 392.091 3.340 20 0 GGADHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000558644914 566495720 /nfs/dbraw/zinc/49/57/20/566495720.db2.gz ANJWSGWAWIIODT-UHFFFAOYSA-N -1 3 381.397 3.133 20 0 GGADHM CN(CC(=O)Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCSC1 ZINC000578134336 566495807 /nfs/dbraw/zinc/49/58/07/566495807.db2.gz OFKKJJXSIHWCKG-SECBINFHSA-N -1 3 379.707 3.184 20 0 GGADHM C[C@@H]1C[C@]1(NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000558642209 566495935 /nfs/dbraw/zinc/49/59/35/566495935.db2.gz QFSVICNHORWAQX-SJKOYZFVSA-N -1 3 398.937 3.121 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000538137192 566495864 /nfs/dbraw/zinc/49/58/64/566495864.db2.gz XWKWSORQRZBBRU-UHFFFAOYSA-N -1 3 377.853 3.473 20 0 GGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000627644551 566495943 /nfs/dbraw/zinc/49/59/43/566495943.db2.gz USFQMHHNIXRKLF-CJNGLKHVSA-N -1 3 377.238 3.118 20 0 GGADHM CCC[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511901961 566496186 /nfs/dbraw/zinc/49/61/86/566496186.db2.gz KPCCOHJHVMIEIB-INIZCTEOSA-N -1 3 378.897 3.090 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)OC ZINC000485432745 566496425 /nfs/dbraw/zinc/49/64/25/566496425.db2.gz BCLHQRWPFXXIAI-CYBMUJFWSA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1cc(Cl)ccc1Br ZINC000485429292 566496599 /nfs/dbraw/zinc/49/65/99/566496599.db2.gz GEOUDSBOADMSMW-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1)c1cc(Cl)ccc1Br ZINC000485435022 566496675 /nfs/dbraw/zinc/49/66/75/566496675.db2.gz FYLLAMRGYWKVIV-UHFFFAOYSA-N -1 3 390.686 3.460 20 0 GGADHM COc1cc(=NC(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)[n-]n1C ZINC000578155093 566497458 /nfs/dbraw/zinc/49/74/58/566497458.db2.gz BMDXJWDWLLMQNT-OAHLLOKOSA-N -1 3 393.285 3.058 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000448790678 566497991 /nfs/dbraw/zinc/49/79/91/566497991.db2.gz BNSIKXDEZRYMGV-QGZVFWFLSA-N -1 3 394.240 3.436 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc(Br)c3cccnc23)o1 ZINC000511936194 566498748 /nfs/dbraw/zinc/49/87/48/566498748.db2.gz VYQOCYYFBKKUOR-UHFFFAOYSA-N -1 3 395.234 3.246 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511966347 566499819 /nfs/dbraw/zinc/49/98/19/566499819.db2.gz YRZKGCYXLVNMRV-GFCCVEGCSA-N -1 3 390.908 3.090 20 0 GGADHM CCSc1cccc(Br)c1[N-]C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000464706153 566500320 /nfs/dbraw/zinc/50/03/20/566500320.db2.gz CGLUDMUROVGRGM-JTQLQIEISA-N -1 3 397.298 3.366 20 0 GGADHM CC[C@@H]1CCCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511961769 566500188 /nfs/dbraw/zinc/50/01/88/566500188.db2.gz UFMCCDRIKRSAFI-OCCSQVGLSA-N -1 3 390.908 3.090 20 0 GGADHM CC(C)CC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCC1 ZINC000511971659 566500287 /nfs/dbraw/zinc/50/02/87/566500287.db2.gz QIGLICOLGGRCNJ-UHFFFAOYSA-N -1 3 390.908 3.090 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1cc(Br)ccc1F ZINC000538265788 566501670 /nfs/dbraw/zinc/50/16/70/566501670.db2.gz NJVJHDDWAKCNAJ-UHFFFAOYSA-N -1 3 394.306 3.199 20 0 GGADHM O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578205327 566501687 /nfs/dbraw/zinc/50/16/87/566501687.db2.gz NBSSJINMRKGYFF-HNNXBMFYSA-N -1 3 389.253 3.098 20 0 GGADHM CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000538253234 566502117 /nfs/dbraw/zinc/50/21/17/566502117.db2.gz RJAZUAUFOVAOMI-UHFFFAOYSA-N -1 3 383.853 3.489 20 0 GGADHM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1(C)C ZINC000538285090 566503458 /nfs/dbraw/zinc/50/34/58/566503458.db2.gz QUMPDAABERGZFC-DVVUODLYSA-N -1 3 382.345 3.157 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1ccc(Cl)cc1C(F)(F)F ZINC000538280044 566503500 /nfs/dbraw/zinc/50/35/00/566503500.db2.gz ORESZGHJSGSRMD-UHFFFAOYSA-N -1 3 381.807 3.314 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000578225702 566503555 /nfs/dbraw/zinc/50/35/55/566503555.db2.gz PDAFNMNVEWIPTG-DZGCQCFKSA-N -1 3 385.913 3.366 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)cc1F ZINC000511998062 566504156 /nfs/dbraw/zinc/50/41/56/566504156.db2.gz XZYAGHNDQFKRHW-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCCc2ccccc21 ZINC000512013824 566505725 /nfs/dbraw/zinc/50/57/25/566505725.db2.gz GIYBYGDAGQCCQA-UHFFFAOYSA-N -1 3 399.299 3.251 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1csc(-c2ccc(Cl)cc2)n1 ZINC000558765428 566505878 /nfs/dbraw/zinc/50/58/78/566505878.db2.gz KFQNPODWYBYAJY-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2F)C[C@H](C)O1 ZINC000558778242 566506703 /nfs/dbraw/zinc/50/67/03/566506703.db2.gz VFNRIJBKVPJHQZ-ZSBIGDGJSA-N -1 3 394.306 3.460 20 0 GGADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)C[C@H](C)O1 ZINC000558778240 566507339 /nfs/dbraw/zinc/50/73/39/566507339.db2.gz VFNRIJBKVPJHQZ-QWRGUYRKSA-N -1 3 394.306 3.460 20 0 GGADHM O=S(=O)([N-]CCNC/C=C\c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000512047129 566508786 /nfs/dbraw/zinc/50/87/86/566508786.db2.gz XPQOTMBLGNWGNJ-UPHRSURJSA-N -1 3 392.880 3.261 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000448899321 566510730 /nfs/dbraw/zinc/51/07/30/566510730.db2.gz NVJLDDJSXLBXHG-AWEZNQCLSA-N -1 3 393.256 3.231 20 0 GGADHM Cc1ocnc1C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000578353523 566514139 /nfs/dbraw/zinc/51/41/39/566514139.db2.gz JNWGVMNICALSRO-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000578342421 566514546 /nfs/dbraw/zinc/51/45/46/566514546.db2.gz XCPDUIFPTONXOJ-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2CSc3ccc(Br)cc32)on1 ZINC000558938645 566515163 /nfs/dbraw/zinc/51/51/63/566515163.db2.gz TUZJKVMVTQHEMB-LBPRGKRZSA-N -1 3 389.296 3.012 20 0 GGADHM CC[C@@H]1CCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465026289 566516046 /nfs/dbraw/zinc/51/60/46/566516046.db2.gz AHVGHUZJZPBMMD-RISCZKNCSA-N -1 3 393.336 3.357 20 0 GGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000578391514 566517782 /nfs/dbraw/zinc/51/77/82/566517782.db2.gz JPENIQHXCHWTSW-CYBMUJFWSA-N -1 3 375.918 3.468 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccs1 ZINC000512175658 566518149 /nfs/dbraw/zinc/51/81/49/566518149.db2.gz QLCCSDHADVLAET-LLVKDONJSA-N -1 3 392.424 3.204 20 0 GGADHM O=C(Nc1ccc2cccc(Br)c2n1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000465066005 566518381 /nfs/dbraw/zinc/51/83/81/566518381.db2.gz KKTKZMQMJAQTFO-UHFFFAOYSA-N -1 3 396.200 3.133 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512172091 566518688 /nfs/dbraw/zinc/51/86/88/566518688.db2.gz VQANRCKGORGQFW-UHFFFAOYSA-N -1 3 375.226 3.251 20 0 GGADHM CC(=O)N(c1nc(CSCCc2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC000603339971 566519814 /nfs/dbraw/zinc/51/98/14/566519814.db2.gz PZYBZVWIMJMTPB-UHFFFAOYSA-N -1 3 394.913 3.470 20 0 GGADHM CC(=O)N(c1nc(CSCCc2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC000603339971 566519822 /nfs/dbraw/zinc/51/98/22/566519822.db2.gz PZYBZVWIMJMTPB-UHFFFAOYSA-N -1 3 394.913 3.470 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc(F)cc(Cl)c2)CC1)c1cccs1 ZINC000485699039 566519924 /nfs/dbraw/zinc/51/99/24/566519924.db2.gz ZXBYFLLPIQNLHZ-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM COc1ccc(CNc2ccn(CCC(F)(F)F)n2)c(Br)c1[O-] ZINC000424197404 566520150 /nfs/dbraw/zinc/52/01/50/566520150.db2.gz BJTDUJOCRMQPPC-UHFFFAOYSA-N -1 3 394.191 3.346 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1Br ZINC000424209910 566520309 /nfs/dbraw/zinc/52/03/09/566520309.db2.gz BUCMUTIERDFKBB-ZETCQYMHSA-N -1 3 376.194 3.077 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449017734 566520712 /nfs/dbraw/zinc/52/07/12/566520712.db2.gz ZDPMTBQIFNKAHC-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM Cc1cc(COCC(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)on1 ZINC000559023966 566520956 /nfs/dbraw/zinc/52/09/56/566520956.db2.gz ZBRAWUPFDLZFND-UHFFFAOYSA-N -1 3 382.207 3.230 20 0 GGADHM CC(C)C(=O)Nc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccn1 ZINC000559033306 566521046 /nfs/dbraw/zinc/52/10/46/566521046.db2.gz VOUBAYHDXNSSEK-UHFFFAOYSA-N -1 3 378.226 3.397 20 0 GGADHM CCCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1 ZINC000465125590 566521831 /nfs/dbraw/zinc/52/18/31/566521831.db2.gz BCBJJJAHWBYRIQ-LBPRGKRZSA-N -1 3 378.947 3.155 20 0 GGADHM C[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)[C@H]1C(=O)[O-] ZINC000424274573 566524678 /nfs/dbraw/zinc/52/46/78/566524678.db2.gz WEKKOJVBJNHQIE-BDJLRTHQSA-N -1 3 384.270 3.296 20 0 GGADHM C[C@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)[C@@H]1C(=O)[O-] ZINC000424274579 566524814 /nfs/dbraw/zinc/52/48/14/566524814.db2.gz WEKKOJVBJNHQIE-ZBEGNZNMSA-N -1 3 384.270 3.296 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(CC)(CC)C2)cc1 ZINC000559118312 566526768 /nfs/dbraw/zinc/52/67/68/566526768.db2.gz GNRLAJBTNBBLOL-UHFFFAOYSA-N -1 3 388.555 3.039 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCCC2(C)C)c(Cl)c1Cl ZINC000559115542 566527034 /nfs/dbraw/zinc/52/70/34/566527034.db2.gz VNHZBMUJIUKOMU-OAHLLOKOSA-N -1 3 382.309 3.222 20 0 GGADHM O=C(Cc1cccc(O)c1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512348654 566528265 /nfs/dbraw/zinc/52/82/65/566528265.db2.gz PQMMUFXEYRRTPL-UHFFFAOYSA-N -1 3 390.212 3.287 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC1 ZINC000559139662 566528263 /nfs/dbraw/zinc/52/82/63/566528263.db2.gz ZMZWPYVIDIWSLG-UHFFFAOYSA-N -1 3 385.379 3.352 20 0 GGADHM Cc1cccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)n1 ZINC000512340376 566528306 /nfs/dbraw/zinc/52/83/06/566528306.db2.gz AAACCFKHWJYFKQ-UHFFFAOYSA-N -1 3 375.201 3.356 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)c(C)o1 ZINC000559139892 566528556 /nfs/dbraw/zinc/52/85/56/566528556.db2.gz RVMPTLSMKLBVSY-UHFFFAOYSA-N -1 3 383.853 3.038 20 0 GGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000603491824 566528681 /nfs/dbraw/zinc/52/86/81/566528681.db2.gz QYNNBHRUUJJWNK-SNVBAGLBSA-N -1 3 378.288 3.093 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651525676 566529196 /nfs/dbraw/zinc/52/91/96/566529196.db2.gz KHZNHSPEZNQRME-UHFFFAOYSA-N -1 3 390.908 3.185 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1ccc(Cl)c(F)c1 ZINC000651522461 566529274 /nfs/dbraw/zinc/52/92/74/566529274.db2.gz GUQQCPSVEXFEGJ-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000559146152 566529973 /nfs/dbraw/zinc/52/99/73/566529973.db2.gz OLIDXQMIIGLFIC-UHFFFAOYSA-N -1 3 385.285 3.323 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)COCC(F)(F)F ZINC000651537176 566530420 /nfs/dbraw/zinc/53/04/20/566530420.db2.gz WSFUIXROFWSZCI-SSDOTTSWSA-N -1 3 396.250 3.065 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2cc(OC)c(OC)cc2Br)c1 ZINC000538744562 566530794 /nfs/dbraw/zinc/53/07/94/566530794.db2.gz YTSNUOWBUHVKDB-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)O1 ZINC000465431955 566531307 /nfs/dbraw/zinc/53/13/07/566531307.db2.gz VTJLMHXJUOCCRL-JOYOIKCWSA-N -1 3 383.221 3.269 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CC)cc1 ZINC000465476417 566533140 /nfs/dbraw/zinc/53/31/40/566533140.db2.gz XEXNESHPSMNVRE-RHSMWYFYSA-N -1 3 388.555 3.085 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(Oc2ccncc2)c1 ZINC000578566745 566533369 /nfs/dbraw/zinc/53/33/69/566533369.db2.gz IHJZWCCFFABRMW-UHFFFAOYSA-N -1 3 376.356 3.195 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCC1 ZINC000603556154 566533545 /nfs/dbraw/zinc/53/35/45/566533545.db2.gz WJJGLHNZUWYLGH-UHFFFAOYSA-N -1 3 385.791 3.123 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc3c2OCCCO3)n1 ZINC000651551420 566534006 /nfs/dbraw/zinc/53/40/06/566534006.db2.gz ZXACLXNYVARKEF-UHFFFAOYSA-N -1 3 382.507 3.080 20 0 GGADHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000465505077 566534549 /nfs/dbraw/zinc/53/45/49/566534549.db2.gz UHBBLCNXRMAMFR-UHFFFAOYSA-N -1 3 381.322 3.492 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)Cc1c(C)noc1C ZINC000651567244 566535824 /nfs/dbraw/zinc/53/58/24/566535824.db2.gz ZFKYLQSDISRZQQ-QMMMGPOBSA-N -1 3 393.328 3.333 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000651571659 566535877 /nfs/dbraw/zinc/53/58/77/566535877.db2.gz SMWVPGVODBAVBX-LLVKDONJSA-N -1 3 388.308 3.490 20 0 GGADHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000465545289 566536324 /nfs/dbraw/zinc/53/63/24/566536324.db2.gz PFYOSXAFVUACOD-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C ZINC000651586372 566538349 /nfs/dbraw/zinc/53/83/49/566538349.db2.gz ZECGSZVCFNGFKO-NSHDSACASA-N -1 3 384.361 3.142 20 0 GGADHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)nc1=N ZINC000559255486 566537355 /nfs/dbraw/zinc/53/73/55/566537355.db2.gz BSHLPLYUWRQGPR-WZRBSPASSA-N -1 3 380.279 3.002 20 0 GGADHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)nc1=N ZINC000559255484 566537456 /nfs/dbraw/zinc/53/74/56/566537456.db2.gz BSHLPLYUWRQGPR-LOWVWBTDSA-N -1 3 380.279 3.002 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1C ZINC000651588469 566538579 /nfs/dbraw/zinc/53/85/79/566538579.db2.gz RMCRKYIVWFWEPB-LBPRGKRZSA-N -1 3 390.324 3.139 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503969 566538712 /nfs/dbraw/zinc/53/87/12/566538712.db2.gz IZZHJBGLXZCXRI-NXEZZACHSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000424547106 566538971 /nfs/dbraw/zinc/53/89/71/566538971.db2.gz TYMXSSGXEFOVJI-RISCZKNCSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673505125 566539293 /nfs/dbraw/zinc/53/92/93/566539293.db2.gz NHUCGIZJQAPSEI-VHSXEESVSA-N -1 3 382.247 3.487 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1sc(Br)cc1C)C1CCOCC1 ZINC000651586854 566539599 /nfs/dbraw/zinc/53/95/99/566539599.db2.gz PCTBRGZTWYTTMY-NSHDSACASA-N -1 3 382.345 3.303 20 0 GGADHM COCc1cc(C(=O)[N-]c2nc(-c3ccc(Br)cn3)cs2)no1 ZINC000559301007 566540183 /nfs/dbraw/zinc/54/01/83/566540183.db2.gz DSMDFGQKNXGHCK-UHFFFAOYSA-N -1 3 395.238 3.354 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000651602615 566540292 /nfs/dbraw/zinc/54/02/92/566540292.db2.gz VZQUTXKYMQCAFU-GMTAPVOTSA-N -1 3 380.329 3.055 20 0 GGADHM C[C@@H](NC(=O)c1csc(Br)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509440 566540414 /nfs/dbraw/zinc/54/04/14/566540414.db2.gz UQIFSYUYVYRLTG-RKDXNWHRSA-N -1 3 398.282 3.004 20 0 GGADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673544525 566540802 /nfs/dbraw/zinc/54/08/02/566540802.db2.gz AYTPRCMLSQKLGY-UHFFFAOYSA-N -1 3 376.869 3.158 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1csc(Br)c1 ZINC000673509437 566541080 /nfs/dbraw/zinc/54/10/80/566541080.db2.gz UQIFSYUYVYRLTG-BDAKNGLRSA-N -1 3 398.282 3.004 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000673554544 566542544 /nfs/dbraw/zinc/54/25/44/566542544.db2.gz PGOMYXGYZBEBOD-SECBINFHSA-N -1 3 388.898 3.408 20 0 GGADHM CCc1cc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)ccc1[O-] ZINC000485956478 566542712 /nfs/dbraw/zinc/54/27/12/566542712.db2.gz KTLIQAVPEDJGFY-UHFFFAOYSA-N -1 3 392.249 3.418 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000673574554 566543378 /nfs/dbraw/zinc/54/33/78/566543378.db2.gz RIEWITVSDLQYLF-SECBINFHSA-N -1 3 388.898 3.408 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(COCC4CC4)n3)[n-]2)c1 ZINC000578678468 566543613 /nfs/dbraw/zinc/54/36/13/566543613.db2.gz VHNVSCOFJVXWIB-UHFFFAOYSA-N -1 3 376.214 3.211 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(COCC4CC4)n3)n2)c1 ZINC000578678468 566543621 /nfs/dbraw/zinc/54/36/21/566543621.db2.gz VHNVSCOFJVXWIB-UHFFFAOYSA-N -1 3 376.214 3.211 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(COCC4CC4)n3)n[n-]2)c1 ZINC000578678468 566543626 /nfs/dbraw/zinc/54/36/26/566543626.db2.gz VHNVSCOFJVXWIB-UHFFFAOYSA-N -1 3 376.214 3.211 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(Br)c1 ZINC000673586590 566545046 /nfs/dbraw/zinc/54/50/46/566545046.db2.gz OMTJDLNQXGJVQN-UHFFFAOYSA-N -1 3 384.242 3.314 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccc(Cl)c1 ZINC000673589737 566545141 /nfs/dbraw/zinc/54/51/41/566545141.db2.gz VFLOKHWCDBNTKF-NSHDSACASA-N -1 3 394.674 3.362 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)sc1Br ZINC000673587897 566545731 /nfs/dbraw/zinc/54/57/31/566545731.db2.gz OFOKBRHQXVTGDP-JTQLQIEISA-N -1 3 388.308 3.274 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000651640322 566546336 /nfs/dbraw/zinc/54/63/36/566546336.db2.gz IZLWVQIWVMZMHO-YPMHNXCESA-N -1 3 380.329 3.055 20 0 GGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ncc(Br)cc1Br ZINC000424613005 566546415 /nfs/dbraw/zinc/54/64/15/566546415.db2.gz BAGUAVIHRXEQPM-PRHODGIISA-N -1 3 394.107 3.442 20 0 GGADHM CCc1nnsc1C(=O)[N-]c1c(F)cc(C)cc1I ZINC000538905401 566546700 /nfs/dbraw/zinc/54/67/00/566546700.db2.gz VGQIMZMBOIHHKZ-UHFFFAOYSA-N -1 3 391.209 3.405 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000651643016 566546482 /nfs/dbraw/zinc/54/64/82/566546482.db2.gz OEPPGYMFQGDDLP-NSHDSACASA-N -1 3 382.345 3.447 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000651638955 566546539 /nfs/dbraw/zinc/54/65/39/566546539.db2.gz PZOSYUPCMAQSIT-UHFFFAOYSA-N -1 3 387.324 3.224 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@]1(C)CCO[C@@H]1C1CC1 ZINC000651640320 566546979 /nfs/dbraw/zinc/54/69/79/566546979.db2.gz IZLWVQIWVMZMHO-DGCLKSJQSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@H]1CCO[C@H](C)C1 ZINC000651638879 566547185 /nfs/dbraw/zinc/54/71/85/566547185.db2.gz NWDVRHMPRYGYMP-MNOVXSKESA-N -1 3 382.345 3.303 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000651641575 566547284 /nfs/dbraw/zinc/54/72/84/566547284.db2.gz XHXBWGKWAZPDGR-QMMMGPOBSA-N -1 3 381.342 3.358 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)s1 ZINC000603956497 566547562 /nfs/dbraw/zinc/54/75/62/566547562.db2.gz PMMIZAXXAGIZPS-UHFFFAOYSA-N -1 3 389.495 3.135 20 0 GGADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc21 ZINC000559390273 566547768 /nfs/dbraw/zinc/54/77/68/566547768.db2.gz HYCZEYPSLDFKCC-UHFFFAOYSA-N -1 3 383.828 3.429 20 0 GGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(F)cc1I ZINC000424624949 566548375 /nfs/dbraw/zinc/54/83/75/566548375.db2.gz RTKJIMKGNWFAAQ-TVQRCGJNSA-N -1 3 379.213 3.265 20 0 GGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ccc(F)cc1I ZINC000424624942 566549174 /nfs/dbraw/zinc/54/91/74/566549174.db2.gz RTKJIMKGNWFAAQ-NOZJJQNGSA-N -1 3 379.213 3.265 20 0 GGADHM COCC1(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)CCC1 ZINC000651677489 566549956 /nfs/dbraw/zinc/54/99/56/566549956.db2.gz JUVREYMVUZVTSH-UHFFFAOYSA-N -1 3 384.498 3.185 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)CCC(F)(F)F ZINC000651670577 566550488 /nfs/dbraw/zinc/55/04/88/566550488.db2.gz NRPPFJFPCGBUBG-UHFFFAOYSA-N -1 3 376.803 3.032 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCSCc2ccc(C)cc2)s1 ZINC000604021939 566550574 /nfs/dbraw/zinc/55/05/74/566550574.db2.gz UVILBJWGDWSMHC-UHFFFAOYSA-N -1 3 385.532 3.055 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(C(C)C)cc2)s1 ZINC000604035358 566552863 /nfs/dbraw/zinc/55/28/63/566552863.db2.gz COGXQCNNXBSXPD-UHFFFAOYSA-N -1 3 383.491 3.015 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCN[C@H](c2cccc(F)c2)C1 ZINC000512730921 566553557 /nfs/dbraw/zinc/55/35/57/566553557.db2.gz WYVVMAVKCONQMN-INIZCTEOSA-N -1 3 393.256 3.009 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCc1cccc(C)n1 ZINC000651700788 566553860 /nfs/dbraw/zinc/55/38/60/566553860.db2.gz SWZPXCVWCHJZFM-UHFFFAOYSA-N -1 3 389.340 3.434 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccnc(OC2CCC2)c1 ZINC000486079186 566554919 /nfs/dbraw/zinc/55/49/19/566554919.db2.gz LUJAHMCMNFKSNH-UHFFFAOYSA-N -1 3 382.869 3.153 20 0 GGADHM CC(C)[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000539033879 566555014 /nfs/dbraw/zinc/55/50/14/566555014.db2.gz AONPGRTYUMTPPS-SJCJKPOMSA-N -1 3 393.281 3.224 20 0 GGADHM CCCCS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000604127154 566555148 /nfs/dbraw/zinc/55/51/48/566555148.db2.gz BORXAHFOVAKHRV-LLVKDONJSA-N -1 3 398.472 3.388 20 0 GGADHM CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1cc([O-])cc(Br)c1)C2 ZINC000628473754 566557507 /nfs/dbraw/zinc/55/75/07/566557507.db2.gz XXJKHTKPMGORNK-UHFFFAOYSA-N -1 3 390.281 3.441 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)(F)F)cc2)c[nH]1 ZINC000673819151 566557632 /nfs/dbraw/zinc/55/76/32/566557632.db2.gz WUPQOEJPEHWBOA-JTQLQIEISA-N -1 3 377.388 3.471 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000673824211 566558298 /nfs/dbraw/zinc/55/82/98/566558298.db2.gz WRGLOKXERHAIDU-UHFFFAOYSA-N -1 3 399.847 3.360 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000673821842 566558533 /nfs/dbraw/zinc/55/85/33/566558533.db2.gz BHFQZDNZNIHTLX-NSHDSACASA-N -1 3 375.416 3.461 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)c1 ZINC000673822876 566558727 /nfs/dbraw/zinc/55/87/27/566558727.db2.gz QOGSGZJLOXCKSC-DLBZAZTESA-N -1 3 396.306 3.466 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2cc(C)ccc2n1C ZINC000486107818 566559128 /nfs/dbraw/zinc/55/91/28/566559128.db2.gz IPICMQLAKUXIQG-UHFFFAOYSA-N -1 3 379.869 3.022 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)c[nH]1 ZINC000673820386 566559358 /nfs/dbraw/zinc/55/93/58/566559358.db2.gz NOJQOSTYZYEQSB-UHFFFAOYSA-N -1 3 392.706 3.428 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNC(=O)c2cccs2)c1Cl ZINC000539113854 566559861 /nfs/dbraw/zinc/55/98/61/566559861.db2.gz AGRPQCIBHJZPLE-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM O=c1cc(CS(=O)(=O)Cc2csc(-c3ccsc3)n2)nc(C2CC2)[n-]1 ZINC000578858367 566561384 /nfs/dbraw/zinc/56/13/84/566561384.db2.gz YAEOZEDTZROSQW-UHFFFAOYSA-N -1 3 393.515 3.360 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2sccc2C)c1 ZINC000539116983 566561971 /nfs/dbraw/zinc/56/19/71/566561971.db2.gz GAUZPQRHETWTNY-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@H](C)CC)cc1Cl ZINC000466294369 566562823 /nfs/dbraw/zinc/56/28/23/566562823.db2.gz YELLOHFDXLPNHU-NOZJJQNGSA-N -1 3 397.324 3.295 20 0 GGADHM O=S(=O)([N-]Cc1noc2ccccc21)c1cc(F)ccc1Br ZINC000578908346 566563643 /nfs/dbraw/zinc/56/36/43/566563643.db2.gz AHPWFSXWPZQSGM-UHFFFAOYSA-N -1 3 385.214 3.208 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H]([C@@H]2CCCO2)C2(CO)CCC2)s1 ZINC000578925422 566566169 /nfs/dbraw/zinc/56/61/69/566566169.db2.gz XMVYYWPZVDQDGF-XJKSGUPXSA-N -1 3 387.567 3.034 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)cc2)c1 ZINC000604536714 566568611 /nfs/dbraw/zinc/56/86/11/566568611.db2.gz VDLVJWOOTTYEPB-UHFFFAOYSA-N -1 3 383.491 3.191 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(C)C)c1 ZINC000604536510 566569374 /nfs/dbraw/zinc/56/93/74/566569374.db2.gz ISGWVCYDEQXBDF-LBPRGKRZSA-N -1 3 383.491 3.361 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000651871286 566571693 /nfs/dbraw/zinc/57/16/93/566571693.db2.gz GYFHQGBYKTVSTC-UHFFFAOYSA-N -1 3 378.263 3.208 20 0 GGADHM COc1ccc(OCCC[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000486251547 566572524 /nfs/dbraw/zinc/57/25/24/566572524.db2.gz IBFAASCXOYZZDB-UHFFFAOYSA-N -1 3 385.869 3.105 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579002527 566572778 /nfs/dbraw/zinc/57/27/78/566572778.db2.gz OUAGAAGJSHDQDK-UHFFFAOYSA-N -1 3 396.672 3.448 20 0 GGADHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000651888989 566572839 /nfs/dbraw/zinc/57/28/39/566572839.db2.gz FFGGSSSNZOJMLA-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000486253382 566572908 /nfs/dbraw/zinc/57/29/08/566572908.db2.gz QOQCUHUQISUSTR-CQSZACIVSA-N -1 3 385.873 3.285 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1 ZINC000486264248 566573140 /nfs/dbraw/zinc/57/31/40/566573140.db2.gz YBPKOOQZOXOEDA-OAHLLOKOSA-N -1 3 380.897 3.296 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccc(F)cc1)N(C)C ZINC000486267057 566573223 /nfs/dbraw/zinc/57/32/23/566573223.db2.gz OKICTMGYGYUQMG-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1 ZINC000486251298 566573245 /nfs/dbraw/zinc/57/32/45/566573245.db2.gz MBLAHYYZOCSEKS-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2noc(C)n2)CCCCC1 ZINC000486254107 566573267 /nfs/dbraw/zinc/57/32/67/566573267.db2.gz RSHJSLKVPOBUOO-UHFFFAOYSA-N -1 3 385.873 3.178 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000486256282 566573324 /nfs/dbraw/zinc/57/33/24/566573324.db2.gz GTCYXPPHCZPLAI-UHFFFAOYSA-N -1 3 383.897 3.276 20 0 GGADHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000651889180 566573459 /nfs/dbraw/zinc/57/34/59/566573459.db2.gz LCWFBCTVHUHBFU-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000539322136 566574452 /nfs/dbraw/zinc/57/44/52/566574452.db2.gz VRBJQKSCEGSRSH-GFCCVEGCSA-N -1 3 375.475 3.049 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1CCCC1 ZINC000674078607 566574953 /nfs/dbraw/zinc/57/49/53/566574953.db2.gz QZUAZIQVIAAGNM-LLVKDONJSA-N -1 3 378.416 3.292 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)s1 ZINC000604770320 566575913 /nfs/dbraw/zinc/57/59/13/566575913.db2.gz SXDDHEMROIYXSC-LLVKDONJSA-N -1 3 399.563 3.150 20 0 GGADHM O=S(=O)([N-]C1CC2(CCC2)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000651919695 566575960 /nfs/dbraw/zinc/57/59/60/566575960.db2.gz FRJOFDFTBOIZRL-CYBMUJFWSA-N -1 3 385.913 3.366 20 0 GGADHM O=S(=O)(NCCCN=c1[n-]c(C(F)(F)F)cs1)c1ccccc1Cl ZINC000513058108 566576243 /nfs/dbraw/zinc/57/62/43/566576243.db2.gz OGTKEDQWPYFOKF-UHFFFAOYSA-N -1 3 399.847 3.018 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c(OC)cc1Br ZINC000651919908 566576471 /nfs/dbraw/zinc/57/64/71/566576471.db2.gz PQLVVZTVCCUINM-UHFFFAOYSA-N -1 3 390.299 3.077 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccon1 ZINC000539372052 566577532 /nfs/dbraw/zinc/57/75/32/566577532.db2.gz SREDWQYGBFKTIO-ZETCQYMHSA-N -1 3 399.188 3.495 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000513104550 566578928 /nfs/dbraw/zinc/57/89/28/566578928.db2.gz KGGKBFMROZQISG-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)c2ccccc2Cl)ccc1F ZINC000486344578 566580047 /nfs/dbraw/zinc/58/00/47/566580047.db2.gz LWHUSZBGDJJUOY-JTQLQIEISA-N -1 3 385.848 3.270 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000513098319 566580323 /nfs/dbraw/zinc/58/03/23/566580323.db2.gz FAJZAJFOLHVVDE-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c1F ZINC000539400187 566580578 /nfs/dbraw/zinc/58/05/78/566580578.db2.gz CNSDPUXTLYPSEB-UHFFFAOYSA-N -1 3 391.873 3.133 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)s1 ZINC000466520865 566581003 /nfs/dbraw/zinc/58/10/03/566581003.db2.gz FGPCIMRHSHKEQX-NSHDSACASA-N -1 3 392.271 3.370 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000513114836 566581029 /nfs/dbraw/zinc/58/10/29/566581029.db2.gz IGDGHDUZFOEPSW-CYBMUJFWSA-N -1 3 379.865 3.135 20 0 GGADHM CCCSC[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)C(=O)[O-] ZINC000559982006 566581859 /nfs/dbraw/zinc/58/18/59/566581859.db2.gz ZYEXGHNJUADJNE-HNNXBMFYSA-N -1 3 398.326 3.321 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000513114837 566581835 /nfs/dbraw/zinc/58/18/35/566581835.db2.gz IGDGHDUZFOEPSW-ZDUSSCGKSA-N -1 3 379.865 3.135 20 0 GGADHM C[C@@]1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCCOC1 ZINC000559987755 566582276 /nfs/dbraw/zinc/58/22/76/566582276.db2.gz PQAJTZSGBHWNRL-MRXNPFEDSA-N -1 3 390.241 3.352 20 0 GGADHM C[C@@]1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCCOC1 ZINC000559987755 566582282 /nfs/dbraw/zinc/58/22/82/566582282.db2.gz PQAJTZSGBHWNRL-MRXNPFEDSA-N -1 3 390.241 3.352 20 0 GGADHM C[C@@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCOC1 ZINC000559987755 566582287 /nfs/dbraw/zinc/58/22/87/566582287.db2.gz PQAJTZSGBHWNRL-MRXNPFEDSA-N -1 3 390.241 3.352 20 0 GGADHM O=S(=O)(Cc1ccc(Br)cc1)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466526615 566582697 /nfs/dbraw/zinc/58/26/97/566582697.db2.gz CAPPDMSJGFDBHA-CQSZACIVSA-N -1 3 386.242 3.141 20 0 GGADHM CC[C@H](C)n1[nH]c(=NC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000539457507 566582751 /nfs/dbraw/zinc/58/27/51/566582751.db2.gz BXBVMTVBKNBUQB-JTQLQIEISA-N -1 3 381.274 3.374 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000513148945 566582843 /nfs/dbraw/zinc/58/28/43/566582843.db2.gz SQCGBOWXPTZRLK-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1F ZINC000513145207 566583623 /nfs/dbraw/zinc/58/36/23/566583623.db2.gz YSEAZMYBECWGDL-NSHDSACASA-N -1 3 385.844 3.175 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(Br)c(F)c1 ZINC000466532817 566583674 /nfs/dbraw/zinc/58/36/74/566583674.db2.gz UIALWPWVMOCGLJ-ZDUSSCGKSA-N -1 3 390.205 3.139 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc(C)n1 ZINC000579136500 566583923 /nfs/dbraw/zinc/58/39/23/566583923.db2.gz NPOQWHZJNHXIAC-UHFFFAOYSA-N -1 3 379.791 3.244 20 0 GGADHM O=C(Nc1ncccc1[O-])c1cnc2c(Cl)cc(Br)cc2c1O ZINC000539465531 566584035 /nfs/dbraw/zinc/58/40/35/566584035.db2.gz FWYLNSWNPUKAEW-UHFFFAOYSA-N -1 3 394.612 3.297 20 0 GGADHM O=C(Nc1ncccc1O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000539465531 566584045 /nfs/dbraw/zinc/58/40/45/566584045.db2.gz FWYLNSWNPUKAEW-UHFFFAOYSA-N -1 3 394.612 3.297 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC(C)(C)C2CCCC2)s1 ZINC000513154017 566584880 /nfs/dbraw/zinc/58/48/80/566584880.db2.gz IXLWMQHKXJDLJG-UHFFFAOYSA-N -1 3 375.512 3.038 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C2CCCC2)cc1 ZINC000560014929 566585639 /nfs/dbraw/zinc/58/56/39/566585639.db2.gz JAUFBJKXRTWPLI-UHFFFAOYSA-N -1 3 388.555 3.182 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCO[C@H]1C1CC1 ZINC000466572917 566586384 /nfs/dbraw/zinc/58/63/84/566586384.db2.gz JNFXHRKLVFLKEH-LSDHHAIUSA-N -1 3 392.290 3.072 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](C)Cc1cccs1 ZINC000513181254 566586456 /nfs/dbraw/zinc/58/64/56/566586456.db2.gz OHSITMFLXHHPHB-NSHDSACASA-N -1 3 387.910 3.345 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000513186629 566586487 /nfs/dbraw/zinc/58/64/87/566586487.db2.gz MFFZWZYJBZMKQY-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513173010 566586617 /nfs/dbraw/zinc/58/66/17/566586617.db2.gz WTKIJAANRAZOOZ-STQMWFEESA-N -1 3 377.915 3.079 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000674340823 566586729 /nfs/dbraw/zinc/58/67/29/566586729.db2.gz QMRFSHBQSASVGC-ZDUSSCGKSA-N -1 3 385.942 3.218 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1C ZINC000513177953 566586657 /nfs/dbraw/zinc/58/66/57/566586657.db2.gz YXTBLMARZGDJSE-UHFFFAOYSA-N -1 3 385.844 3.095 20 0 GGADHM CC(C)(C)Cc1csc([N-]C(=O)c2nc3ncc(Br)cn3n2)n1 ZINC000539539060 566586775 /nfs/dbraw/zinc/58/67/75/566586775.db2.gz QFUPHLXTOIAZJM-UHFFFAOYSA-N -1 3 395.286 3.184 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)s1 ZINC000674341288 566587242 /nfs/dbraw/zinc/58/72/42/566587242.db2.gz BFAKMXCWTQALGG-UHFFFAOYSA-N -1 3 375.475 3.426 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@@H]1C ZINC000513169254 566587287 /nfs/dbraw/zinc/58/72/87/566587287.db2.gz BWFVGDTUIZPULR-WFASDCNBSA-N -1 3 389.901 3.000 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C1 ZINC000513176210 566587497 /nfs/dbraw/zinc/58/74/97/566587497.db2.gz OSRQZFVASNDWJZ-CHWSQXEVSA-N -1 3 391.942 3.469 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560027418 566587659 /nfs/dbraw/zinc/58/76/59/566587659.db2.gz GLBTUAOBAIMAAI-NSHDSACASA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486423096 566587681 /nfs/dbraw/zinc/58/76/81/566587681.db2.gz IOQWPKIBVSJIGW-AWEZNQCLSA-N -1 3 392.297 3.115 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)sc1Br ZINC000579196520 566588209 /nfs/dbraw/zinc/58/82/09/566588209.db2.gz HTWXWBVRRIYBDD-UHFFFAOYSA-N -1 3 377.285 3.163 20 0 GGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000560037651 566588432 /nfs/dbraw/zinc/58/84/32/566588432.db2.gz UJRUYXNMSHQYAY-VXGBXAGGSA-N -1 3 390.933 3.153 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000674346007 566588630 /nfs/dbraw/zinc/58/86/30/566588630.db2.gz FOCBFJNBODYEPW-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000674346263 566588794 /nfs/dbraw/zinc/58/87/94/566588794.db2.gz LEUGFEPJRHCAGQ-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](C)c2ccccc2Cl)ccc1F ZINC000486433604 566589024 /nfs/dbraw/zinc/58/90/24/566589024.db2.gz LWHUSZBGDJJUOY-SNVBAGLBSA-N -1 3 385.848 3.270 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000674347164 566589111 /nfs/dbraw/zinc/58/91/11/566589111.db2.gz WIEKEOUDFVZNQE-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000560042126 566590565 /nfs/dbraw/zinc/59/05/65/566590565.db2.gz PKJQDCVIEVHXAX-HNNXBMFYSA-N -1 3 382.844 3.255 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000560042058 566590969 /nfs/dbraw/zinc/59/09/69/566590969.db2.gz ZMPNYICBOVAEBZ-AWEZNQCLSA-N -1 3 389.807 3.201 20 0 GGADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cnn2c1OCCC2 ZINC000560055804 566592494 /nfs/dbraw/zinc/59/24/94/566592494.db2.gz SRDJESSBSHSAGE-UHFFFAOYSA-N -1 3 375.841 3.014 20 0 GGADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000539638846 566593450 /nfs/dbraw/zinc/59/34/50/566593450.db2.gz PTZBRUDNUXTAIQ-MNOVXSKESA-N -1 3 382.345 3.383 20 0 GGADHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000466731517 566595366 /nfs/dbraw/zinc/59/53/66/566595366.db2.gz OMIIXKILSRCLBI-CQSZACIVSA-N -1 3 388.316 3.492 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000466749284 566596447 /nfs/dbraw/zinc/59/64/47/566596447.db2.gz KCAGJKLUDIKPJH-UHFFFAOYSA-N -1 3 378.837 3.086 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1OC ZINC000579291009 566596774 /nfs/dbraw/zinc/59/67/74/566596774.db2.gz WPFQKXZUSBEVCF-UHFFFAOYSA-N -1 3 391.823 3.428 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO[C@H]1C1CC1 ZINC000466774773 566597321 /nfs/dbraw/zinc/59/73/21/566597321.db2.gz GWPFERYWOATDAW-WMZOPIPTSA-N -1 3 378.519 3.294 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO[C@@H]1C1CC1 ZINC000466774770 566597578 /nfs/dbraw/zinc/59/75/78/566597578.db2.gz GWPFERYWOATDAW-AEFFLSMTSA-N -1 3 378.519 3.294 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2C)s1 ZINC000466755344 566597670 /nfs/dbraw/zinc/59/76/70/566597670.db2.gz YJZGELSNXJMRCW-UHFFFAOYSA-N -1 3 393.408 3.340 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)s1 ZINC000605164273 566598283 /nfs/dbraw/zinc/59/82/83/566598283.db2.gz UKICAXKNNHSMNC-MFKMUULPSA-N -1 3 382.532 3.071 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@H]3CSc4ccccc43)cc2N1 ZINC000605163962 566598596 /nfs/dbraw/zinc/59/85/96/566598596.db2.gz BCACQYWVITYUBU-AWEZNQCLSA-N -1 3 394.905 3.350 20 0 GGADHM CC[C@@](C)(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)OC ZINC000579348863 566600622 /nfs/dbraw/zinc/60/06/22/566600622.db2.gz LUSZZPGZWROFFW-ZDUSSCGKSA-N -1 3 384.723 3.337 20 0 GGADHM O=S(=O)([N-]CCNc1cccc(Br)c1)c1ccc(F)cc1F ZINC000486590381 566602562 /nfs/dbraw/zinc/60/25/62/566602562.db2.gz CZRARSXVKWJOGO-UHFFFAOYSA-N -1 3 391.237 3.118 20 0 GGADHM CC1(C)C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C(C)(C)O1 ZINC000539800496 566602672 /nfs/dbraw/zinc/60/26/72/566602672.db2.gz KKXSMDODYABXSN-HNNXBMFYSA-N -1 3 393.281 3.367 20 0 GGADHM CC1(C)C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C(C)(C)O1 ZINC000539800497 566603505 /nfs/dbraw/zinc/60/35/05/566603505.db2.gz KKXSMDODYABXSN-OAHLLOKOSA-N -1 3 393.281 3.367 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)ccc2SC)cc1OC ZINC000466871293 566603523 /nfs/dbraw/zinc/60/35/23/566603523.db2.gz GMSJZNHJWKVOQI-UHFFFAOYSA-N -1 3 389.445 3.182 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)CO[C@@H]2CCOC2)c1Cl ZINC000674711120 566604901 /nfs/dbraw/zinc/60/49/01/566604901.db2.gz OULJBLXEKHXBAL-ZYHUDNBSSA-N -1 3 382.309 3.083 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000486617877 566605427 /nfs/dbraw/zinc/60/54/27/566605427.db2.gz ICLFJNGUARZRGW-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM COc1ccc(CN[C@H](CO)Cc2ccc(C)cc2)c(Br)c1[O-] ZINC000466898467 566605895 /nfs/dbraw/zinc/60/58/95/566605895.db2.gz XGCRNIZDLXYKSR-HNNXBMFYSA-N -1 3 380.282 3.165 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@](C)(OC)C2(C)C)c(Cl)c1Cl ZINC000466896625 566605944 /nfs/dbraw/zinc/60/59/44/566605944.db2.gz DAKYPJZZVYRPEG-IAQYHMDHSA-N -1 3 382.309 3.484 20 0 GGADHM COc1ccc(CN[C@@H](CO)Cc2ccc(C)cc2)c(Br)c1[O-] ZINC000466898468 566606015 /nfs/dbraw/zinc/60/60/15/566606015.db2.gz XGCRNIZDLXYKSR-OAHLLOKOSA-N -1 3 380.282 3.165 20 0 GGADHM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000674744331 566606423 /nfs/dbraw/zinc/60/64/23/566606423.db2.gz FBNYANBVVWKCIO-UHFFFAOYSA-N -1 3 389.253 3.386 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000486641090 566606317 /nfs/dbraw/zinc/60/63/17/566606317.db2.gz BCAHQCIJGMNNDA-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1(C)C ZINC000466889589 566606525 /nfs/dbraw/zinc/60/65/25/566606525.db2.gz ZZSSAMUXTOCDCI-TZMCWYRMSA-N -1 3 380.279 3.070 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]C[C@H](OC)c1ccc(F)cc1 ZINC000466895144 566606533 /nfs/dbraw/zinc/60/65/33/566606533.db2.gz YHULSRJZCFVXQD-KRWDZBQOSA-N -1 3 387.860 3.295 20 0 GGADHM CC(C)CCCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000605429245 566607418 /nfs/dbraw/zinc/60/74/18/566607418.db2.gz SFURZHDQMUTOQL-UHFFFAOYSA-N -1 3 381.420 3.085 20 0 GGADHM CO[C@]1(C)C[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486650272 566607900 /nfs/dbraw/zinc/60/79/00/566607900.db2.gz KBEGOWDQORCKDM-RHSMWYFYSA-N -1 3 385.302 3.500 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 ZINC000486652375 566608275 /nfs/dbraw/zinc/60/82/75/566608275.db2.gz PPVFVHHUEOLDGU-VHSXEESVSA-N -1 3 376.404 3.377 20 0 GGADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)nc1)c1cccs1 ZINC000539855190 566608209 /nfs/dbraw/zinc/60/82/09/566608209.db2.gz JJBRDVOQINZABW-MRXNPFEDSA-N -1 3 382.507 3.386 20 0 GGADHM CSc1nnc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)[n-]1 ZINC000513563005 566608719 /nfs/dbraw/zinc/60/87/19/566608719.db2.gz PFXYHNWDTRWLPX-UHFFFAOYSA-N -1 3 397.176 3.440 20 0 GGADHM CSc1n[n-]c(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)n1 ZINC000513563005 566608728 /nfs/dbraw/zinc/60/87/28/566608728.db2.gz PFXYHNWDTRWLPX-UHFFFAOYSA-N -1 3 397.176 3.440 20 0 GGADHM CSc1nc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)n[n-]1 ZINC000513563005 566608730 /nfs/dbraw/zinc/60/87/30/566608730.db2.gz PFXYHNWDTRWLPX-UHFFFAOYSA-N -1 3 397.176 3.440 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H]2CC)cc1 ZINC000466922955 566609250 /nfs/dbraw/zinc/60/92/50/566609250.db2.gz GSUVWFHTRJWSJI-HOCLYGCPSA-N -1 3 388.555 3.038 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1OC ZINC000605493399 566610942 /nfs/dbraw/zinc/61/09/42/566610942.db2.gz ZPOWCYQYXLXUAK-SNVBAGLBSA-N -1 3 383.853 3.481 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)Nc1cc(Br)ccc1[O-])C(N)=O ZINC000513599031 566611503 /nfs/dbraw/zinc/61/15/03/566611503.db2.gz FAENYGZBNKZLGR-SECBINFHSA-N -1 3 395.278 3.373 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ncccn1 ZINC000560254668 566611952 /nfs/dbraw/zinc/61/19/52/566611952.db2.gz XOSPZUUNAHCYSO-UHFFFAOYSA-N -1 3 379.791 3.362 20 0 GGADHM O=C(C[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1c(F)cccc1F ZINC000425190605 566613770 /nfs/dbraw/zinc/61/37/70/566613770.db2.gz FFHJHKOQSSCSNH-UHFFFAOYSA-N -1 3 385.354 3.188 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496446 566613947 /nfs/dbraw/zinc/61/39/47/566613947.db2.gz VWWYLGAGHUGOHJ-TZMCWYRMSA-N -1 3 376.280 3.310 20 0 GGADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000674871606 566614617 /nfs/dbraw/zinc/61/46/17/566614617.db2.gz BKLOKDUKSAIDCP-SECBINFHSA-N -1 3 378.263 3.495 20 0 GGADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(Br)s1 ZINC000486710358 566615018 /nfs/dbraw/zinc/61/50/18/566615018.db2.gz NLTRUQURRUPBRQ-LALPHHSUSA-N -1 3 384.320 3.375 20 0 GGADHM O=C([O-])c1cn([C@@H]2CCCN(CCCc3ccccc3Br)C2)nn1 ZINC000652502824 566615072 /nfs/dbraw/zinc/61/50/72/566615072.db2.gz CKQLHFWVTLMIAS-CQSZACIVSA-N -1 3 393.285 3.009 20 0 GGADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(Br)s1 ZINC000486710375 566615291 /nfs/dbraw/zinc/61/52/91/566615291.db2.gz NLTRUQURRUPBRQ-ZOWXZIJZSA-N -1 3 384.320 3.375 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(Cc2ccccc2Br)CC1 ZINC000560293460 566615251 /nfs/dbraw/zinc/61/52/51/566615251.db2.gz APKOEPAMLXMVPC-HNNXBMFYSA-N -1 3 390.281 3.407 20 0 GGADHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC000425199372 566615580 /nfs/dbraw/zinc/61/55/80/566615580.db2.gz FRQSULAQGOZYDK-VIFPVBQESA-N -1 3 390.433 3.048 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)s1 ZINC000605590169 566615725 /nfs/dbraw/zinc/61/57/25/566615725.db2.gz WSXFBVKLFXPURL-NSHDSACASA-N -1 3 382.482 3.052 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C1CC1 ZINC000652513717 566616718 /nfs/dbraw/zinc/61/67/18/566616718.db2.gz IEGJCPSWPJCPGA-UONOGXRCSA-N -1 3 396.281 3.153 20 0 GGADHM C[C@@](O)(C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CCC1 ZINC000486715172 566616781 /nfs/dbraw/zinc/61/67/81/566616781.db2.gz FVAHGULMMDMIQY-INIZCTEOSA-N -1 3 398.688 3.404 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)s1 ZINC000539951476 566616923 /nfs/dbraw/zinc/61/69/23/566616923.db2.gz XAYTXVWOMPBULF-UHFFFAOYSA-N -1 3 386.303 3.382 20 0 GGADHM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccccc2C)c2ccc(Cl)cc2)no1 ZINC000539946927 566617250 /nfs/dbraw/zinc/61/72/50/566617250.db2.gz JOLGUOUCZKUMPV-INIZCTEOSA-N -1 3 377.853 3.408 20 0 GGADHM CC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1cc(C)ccc1C ZINC000629109064 566617632 /nfs/dbraw/zinc/61/76/32/566617632.db2.gz BECBHUAOAOJCHT-GDBMZVCRSA-N -1 3 380.535 3.299 20 0 GGADHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000425211654 566617576 /nfs/dbraw/zinc/61/75/76/566617576.db2.gz YKEGSQILXBYHPD-SECBINFHSA-N -1 3 388.536 3.328 20 0 GGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1F ZINC000579538114 566617679 /nfs/dbraw/zinc/61/76/79/566617679.db2.gz YCGGVNIWSOAGOY-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1cc(C)ccc1C ZINC000629109065 566617698 /nfs/dbraw/zinc/61/76/98/566617698.db2.gz BECBHUAOAOJCHT-GOEBONIOSA-N -1 3 380.535 3.299 20 0 GGADHM CCn1c2ccc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)cc2oc1=O ZINC000467029778 566617921 /nfs/dbraw/zinc/61/79/21/566617921.db2.gz AVMHDHZYBWRINZ-UHFFFAOYSA-N -1 3 388.232 3.117 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)c(F)c1 ZINC000605801948 566618650 /nfs/dbraw/zinc/61/86/50/566618650.db2.gz ANCFHERHCIWGCE-UHFFFAOYSA-N -1 3 385.486 3.071 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c1 ZINC000605787513 566618969 /nfs/dbraw/zinc/61/89/69/566618969.db2.gz IHIOSHJGIARHMC-UHFFFAOYSA-N -1 3 381.881 3.333 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000425220286 566618999 /nfs/dbraw/zinc/61/89/99/566618999.db2.gz UHIQXAPEKROEIU-HNNXBMFYSA-N -1 3 383.901 3.460 20 0 GGADHM Cc1cccc2[nH]c(CCC(=O)N=c3cc4ccc(Br)cn4[n-]3)nc21 ZINC000513738445 566620634 /nfs/dbraw/zinc/62/06/34/566620634.db2.gz UNSGQHMUTBMQRN-UHFFFAOYSA-N -1 3 398.264 3.275 20 0 GGADHM Cc1cccc2nc(CCC(=O)N=c3cc4ccc(Br)cn4[n-]3)[nH]c21 ZINC000513738445 566620638 /nfs/dbraw/zinc/62/06/38/566620638.db2.gz UNSGQHMUTBMQRN-UHFFFAOYSA-N -1 3 398.264 3.275 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c1Cl ZINC000675026886 566621179 /nfs/dbraw/zinc/62/11/79/566621179.db2.gz SJFQTRYIXSARTL-GFCCVEGCSA-N -1 3 382.309 3.084 20 0 GGADHM CC(C)c1ncsc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449980676 566623169 /nfs/dbraw/zinc/62/31/69/566623169.db2.gz VJIRKFDTZBZJCC-UHFFFAOYSA-N -1 3 383.470 3.099 20 0 GGADHM C[C@]1(c2cccc(C(=O)NCc3cc(Cl)sc3Cl)c2)NC(=O)[N-]C1=O ZINC000540016947 566623210 /nfs/dbraw/zinc/62/32/10/566623210.db2.gz FYLWFUPHAAISFF-MRXNPFEDSA-N -1 3 398.271 3.040 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)c1 ZINC000513792984 566623813 /nfs/dbraw/zinc/62/38/13/566623813.db2.gz PSJUUKBTDCCNFA-UHFFFAOYSA-N -1 3 375.416 3.394 20 0 GGADHM Cn1ncc2c1nc(SCc1cc(Cl)c3c(c1)OCCCO3)[n-]c2=O ZINC000629217330 566624283 /nfs/dbraw/zinc/62/42/83/566624283.db2.gz BWIMNYSETYOUJY-UHFFFAOYSA-N -1 3 378.841 3.176 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629218015 566624790 /nfs/dbraw/zinc/62/47/90/566624790.db2.gz RFWMZDMQSBJQJU-VIFPVBQESA-N -1 3 377.857 3.150 20 0 GGADHM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(Br)c1 ZINC000513789236 566625011 /nfs/dbraw/zinc/62/50/11/566625011.db2.gz DZCJQZYETOQMCG-SNVBAGLBSA-N -1 3 383.267 3.277 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCOC2(CCC2)C1 ZINC000560437021 566625071 /nfs/dbraw/zinc/62/50/71/566625071.db2.gz RKPGABFKMBRLSB-CYBMUJFWSA-N -1 3 383.286 3.303 20 0 GGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000540069151 566625319 /nfs/dbraw/zinc/62/53/19/566625319.db2.gz OULOWNYVDQECBI-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1cc(F)cc(Cl)c1 ZINC000486821526 566625637 /nfs/dbraw/zinc/62/56/37/566625637.db2.gz IXWPBPOVYQTBFA-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(Br)o2)c(C)n1 ZINC000579651008 566627822 /nfs/dbraw/zinc/62/78/22/566627822.db2.gz WUDAXNCHKXZMLX-UHFFFAOYSA-N -1 3 390.303 3.216 20 0 GGADHM CCOC(=O)c1cc2cc([N-]S(=O)(=O)C[C@@H]3CCCCO3)ccc2s1 ZINC000513816718 566627991 /nfs/dbraw/zinc/62/79/91/566627991.db2.gz SJHCHLVNYDFGMT-AWEZNQCLSA-N -1 3 383.491 3.389 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1nc(C(F)(F)F)cs1 ZINC000486840895 566628607 /nfs/dbraw/zinc/62/86/07/566628607.db2.gz DFPKVTNEJQOJHK-MRVPVSSYSA-N -1 3 378.397 3.232 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000513846397 566628635 /nfs/dbraw/zinc/62/86/35/566628635.db2.gz NLEJGAOUDYOMRU-UHFFFAOYSA-N -1 3 387.860 3.291 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000513841893 566628661 /nfs/dbraw/zinc/62/86/61/566628661.db2.gz XTUDMRSWIWDICK-CYBMUJFWSA-N -1 3 398.750 3.424 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000513843043 566629318 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GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1F ZINC000560718397 566651959 /nfs/dbraw/zinc/65/19/59/566651959.db2.gz FJYAESPVLOMUKX-UHFFFAOYSA-N -1 3 391.251 3.222 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc3c(s2)CCCCC3)ccc1F ZINC000560718565 566652557 /nfs/dbraw/zinc/65/25/57/566652557.db2.gz NGKLEGZTTUGDEM-UHFFFAOYSA-N -1 3 382.482 3.317 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000487145015 566652717 /nfs/dbraw/zinc/65/27/17/566652717.db2.gz FDRWNKCROMEPKW-GXFFZTMASA-N -1 3 382.345 3.240 20 0 GGADHM Cc1cc(C2(NCc3nc(=O)n(C)[n-]3)CCCCC2)ccc1Br ZINC000514581464 566653250 /nfs/dbraw/zinc/65/32/50/566653250.db2.gz BRAQIWRZDPNFIY-UHFFFAOYSA-N -1 3 379.302 3.129 20 0 GGADHM C[C@@H]1CCC[C@@H]1CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000560740358 566653421 /nfs/dbraw/zinc/65/34/21/566653421.db2.gz ULTWNCARXRTFSX-VXGBXAGGSA-N -1 3 393.336 3.214 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1F ZINC000560720056 566653986 /nfs/dbraw/zinc/65/39/86/566653986.db2.gz PDFQQPZYFNUSOO-SNVBAGLBSA-N -1 3 382.482 3.172 20 0 GGADHM COc1ccc(CNc2ccc3c(c2)N(C(N)=O)CC3)c(Br)c1[O-] ZINC000487204252 566654984 /nfs/dbraw/zinc/65/49/84/566654984.db2.gz WRPXYFQBJWCEOA-UHFFFAOYSA-N -1 3 392.253 3.217 20 0 GGADHM [O-]c1ccc(CNC[C@H](O)COc2ccc(Cl)cc2)cc1Br ZINC000514598756 566655640 /nfs/dbraw/zinc/65/56/40/566655640.db2.gz KKPDHKHKCPKYDR-ZDUSSCGKSA-N -1 3 386.673 3.338 20 0 GGADHM COc1cc(Br)c(CN=c2[n-]c(C(C)=O)c(C)s2)cc1OC ZINC000450301368 566656097 /nfs/dbraw/zinc/65/60/97/566656097.db2.gz FKYQNPYUYCVVOT-UHFFFAOYSA-N -1 3 385.283 3.468 20 0 GGADHM COc1ccc(CNc2cccc(N(C)C(N)=O)c2)c(Br)c1[O-] ZINC000487225781 566656312 /nfs/dbraw/zinc/65/63/12/566656312.db2.gz WYQFXRNKHMOTEO-UHFFFAOYSA-N -1 3 380.242 3.290 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000675636740 566656637 /nfs/dbraw/zinc/65/66/37/566656637.db2.gz MENWGPHDMZGSSR-SNVBAGLBSA-N -1 3 384.242 3.314 20 0 GGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(OC)cc1Cl ZINC000514629678 566656811 /nfs/dbraw/zinc/65/68/11/566656811.db2.gz VMDRNPVEJXNMRR-UHFFFAOYSA-N -1 3 384.885 3.401 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000579995954 566657073 /nfs/dbraw/zinc/65/70/73/566657073.db2.gz FXCUFJGYLNFZBL-SNVBAGLBSA-N -1 3 375.343 3.299 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000675636980 566657155 /nfs/dbraw/zinc/65/71/55/566657155.db2.gz QKVAZMFHCZFFKT-SECBINFHSA-N -1 3 384.242 3.232 20 0 GGADHM O=C(Nc1cncc(F)c1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000467643716 566657731 /nfs/dbraw/zinc/65/77/31/566657731.db2.gz MYESRQQPLVQFOH-UHFFFAOYSA-N -1 3 397.478 3.075 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000514635183 566658079 /nfs/dbraw/zinc/65/80/79/566658079.db2.gz LQCNPWNACFLIGV-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000607103575 566658152 /nfs/dbraw/zinc/65/81/52/566658152.db2.gz GNZNUYCYGUWRFZ-CQSZACIVSA-N -1 3 379.507 3.247 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cncc(Br)c1 ZINC000467712142 566659060 /nfs/dbraw/zinc/65/90/60/566659060.db2.gz GNWINULCKAVNKF-UHFFFAOYSA-N -1 3 379.164 3.187 20 0 GGADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000514668336 566659681 /nfs/dbraw/zinc/65/96/81/566659681.db2.gz FPBQAAIWRWXZDE-AAEUAGOBSA-N -1 3 375.266 3.457 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2ccsc2[nH]1 ZINC000607138211 566659803 /nfs/dbraw/zinc/65/98/03/566659803.db2.gz NSIHTFZBUWHCCW-UHFFFAOYSA-N -1 3 379.438 3.062 20 0 GGADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1conc1COC ZINC000425611992 566660120 /nfs/dbraw/zinc/66/01/20/566660120.db2.gz PMGCPATWLBJDTK-UHFFFAOYSA-N -1 3 378.328 3.330 20 0 GGADHM O=C(CNC(=O)c1ccc(Br)s1)Nc1c([O-])cccc1Cl ZINC000560821693 566661141 /nfs/dbraw/zinc/66/11/41/566661141.db2.gz NLGIUCGJFJFOBZ-UHFFFAOYSA-N -1 3 389.658 3.238 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCOC[C@H]2CCOC2)c1Cl ZINC000607162251 566661148 /nfs/dbraw/zinc/66/11/48/566661148.db2.gz XXBZCYBTVVWLTL-CYBMUJFWSA-N -1 3 396.336 3.332 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000607164003 566661670 /nfs/dbraw/zinc/66/16/70/566661670.db2.gz BHEPZMIREMKATI-UHFFFAOYSA-N -1 3 382.844 3.405 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)c1Cl ZINC000607162252 566661723 /nfs/dbraw/zinc/66/17/23/566661723.db2.gz XXBZCYBTVVWLTL-ZDUSSCGKSA-N -1 3 396.336 3.332 20 0 GGADHM CS(=O)(=O)c1cc([N-]C(=O)c2noc(-c3ccccc3)n2)ccc1Cl ZINC000487305686 566661836 /nfs/dbraw/zinc/66/18/36/566661836.db2.gz CBLZXZLNGAJHCT-UHFFFAOYSA-N -1 3 377.809 3.046 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2sccc2Br)c(F)c1 ZINC000467756643 566662061 /nfs/dbraw/zinc/66/20/61/566662061.db2.gz AUDNQTHSXOWWAC-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1 ZINC000467762025 566662764 /nfs/dbraw/zinc/66/27/64/566662764.db2.gz IBXVSADPGYLNOO-QGZVFWFLSA-N -1 3 379.844 3.281 20 0 GGADHM O=S(=O)(Cc1cc(Cl)ccc1Br)[N-][C@H]1CCO[C@@H]1C1CC1 ZINC000580068979 566663230 /nfs/dbraw/zinc/66/32/30/566663230.db2.gz CMOGEUXVEDSNAG-UONOGXRCSA-N -1 3 394.718 3.089 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2F)C(C)C)c1 ZINC000467768594 566663301 /nfs/dbraw/zinc/66/33/01/566663301.db2.gz HWKAOIBLAWIBNM-HNNXBMFYSA-N -1 3 389.445 3.489 20 0 GGADHM COc1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1OC1CCCC1 ZINC000580077095 566663541 /nfs/dbraw/zinc/66/35/41/566663541.db2.gz NUFDPEYLNINZPV-UHFFFAOYSA-N -1 3 394.269 3.187 20 0 GGADHM O=S(=O)(Cc1cc(Cl)ccc1Br)[N-][C@H]1CCO[C@H]1C1CC1 ZINC000580068977 566663814 /nfs/dbraw/zinc/66/38/14/566663814.db2.gz CMOGEUXVEDSNAG-KBPBESRZSA-N -1 3 394.718 3.089 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)s1 ZINC000560865645 566663959 /nfs/dbraw/zinc/66/39/59/566663959.db2.gz GLMWZJREGZQKFY-UHFFFAOYSA-N -1 3 380.516 3.077 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCN1C1CCCCC1 ZINC000675760534 566664655 /nfs/dbraw/zinc/66/46/55/566664655.db2.gz VAYWWWXMCVPJNI-OAHLLOKOSA-N -1 3 391.320 3.205 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000467773358 566664881 /nfs/dbraw/zinc/66/48/81/566664881.db2.gz UKTKFYOYENFJPC-UHFFFAOYSA-N -1 3 393.456 3.474 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1cnc2ccccc2n1 ZINC000514712505 566665308 /nfs/dbraw/zinc/66/53/08/566665308.db2.gz YTOXXOMETKFFGD-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCOc1cc(F)cc(Br)c1 ZINC000514730678 566665336 /nfs/dbraw/zinc/66/53/36/566665336.db2.gz SXRBXBGYYFIKCX-KRWDZBQOSA-N -1 3 394.240 3.479 20 0 GGADHM CC(C)Oc1ncccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000675810938 566665868 /nfs/dbraw/zinc/66/58/68/566665868.db2.gz RURWYNPQAYDBDT-UHFFFAOYSA-N -1 3 394.269 3.336 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)C ZINC000467788415 566666552 /nfs/dbraw/zinc/66/65/52/566666552.db2.gz JRJAYVRDEXRQOI-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CC[C@H](C)c2cccc(C(F)(F)F)c2)cn1C ZINC000467783246 566666768 /nfs/dbraw/zinc/66/67/68/566666768.db2.gz AMMWAVJPCWIEEE-NSHDSACASA-N -1 3 375.416 3.219 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2cccc(Br)c2)C1)c1cccs1 ZINC000487358522 566667155 /nfs/dbraw/zinc/66/71/55/566667155.db2.gz AFTMQRNURVWEOC-GFCCVEGCSA-N -1 3 387.324 3.068 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C1CCOCC1 ZINC000467797904 566667753 /nfs/dbraw/zinc/66/77/53/566667753.db2.gz VRMKGBGSLRXARI-ZDUSSCGKSA-N -1 3 382.309 3.486 20 0 GGADHM CN(C(N)=O)c1cccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000487376761 566668291 /nfs/dbraw/zinc/66/82/91/566668291.db2.gz HEVLUNFBUYUBRC-UHFFFAOYSA-N -1 3 388.276 3.450 20 0 GGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000540728905 566668786 /nfs/dbraw/zinc/66/87/86/566668786.db2.gz UGLVADIKDIOFAM-ZDUSSCGKSA-N -1 3 384.864 3.474 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(C)C ZINC000467801174 566669465 /nfs/dbraw/zinc/66/94/65/566669465.db2.gz ZEYCCXLTGBASOG-AWEZNQCLSA-N -1 3 382.295 3.318 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cnnn1-c1cccc(F)c1 ZINC000580153384 566669560 /nfs/dbraw/zinc/66/95/60/566669560.db2.gz XLBLZHIMRYPUMN-UHFFFAOYSA-N -1 3 377.173 3.127 20 0 GGADHM O=S(=O)([N-][C@H](Cn1cccn1)c1ccccc1)c1cccc(Cl)c1F ZINC000607362633 566669823 /nfs/dbraw/zinc/66/98/23/566669823.db2.gz BZKXGRULMWXPRJ-OAHLLOKOSA-N -1 3 379.844 3.395 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000514789504 566670400 /nfs/dbraw/zinc/67/04/00/566670400.db2.gz LRJLFIOKZDNZQH-UHFFFAOYSA-N -1 3 398.893 3.163 20 0 GGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514795665 566670434 /nfs/dbraw/zinc/67/04/34/566670434.db2.gz ATUGKADABSBLTC-JTQLQIEISA-N -1 3 376.254 3.183 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ccc(OC)o2)c1 ZINC000653482474 566670409 /nfs/dbraw/zinc/67/04/09/566670409.db2.gz PIWFPBXBJWDASD-UHFFFAOYSA-N -1 3 386.857 3.224 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000514783061 566670704 /nfs/dbraw/zinc/67/07/04/566670704.db2.gz HCDGYZMQDJFVPP-STQMWFEESA-N -1 3 378.519 3.170 20 0 GGADHM Cc1nn(-c2ccccc2Br)cc1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000653504188 566673364 /nfs/dbraw/zinc/67/33/64/566673364.db2.gz KGFUYCJVXDEUDA-TZMCWYRMSA-N -1 3 376.254 3.062 20 0 GGADHM Cc1nn(-c2cccc(Br)c2)cc1CNC1([C@@H](C)C(=O)[O-])CC1 ZINC000653504752 566673456 /nfs/dbraw/zinc/67/34/56/566673456.db2.gz HTNLJOJGKDNMEP-NSHDSACASA-N -1 3 378.270 3.286 20 0 GGADHM Cc1nn(-c2cccc(Br)c2)cc1CNC1([C@H](C)C(=O)[O-])CC1 ZINC000653504751 566673673 /nfs/dbraw/zinc/67/36/73/566673673.db2.gz HTNLJOJGKDNMEP-LLVKDONJSA-N -1 3 378.270 3.286 20 0 GGADHM CO[C@@H](C[C@@H](NCc1cc(Cl)ccc1Br)C(=O)[O-])C1CC1 ZINC000653508028 566674060 /nfs/dbraw/zinc/67/40/60/566674060.db2.gz XGDLPGHZXCAMEY-KGLIPLIRSA-N -1 3 376.678 3.460 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N(Cc1ccccc1Cl)CC1CC1 ZINC000561089069 566674434 /nfs/dbraw/zinc/67/44/34/566674434.db2.gz IQRGQAWJGOELNS-UHFFFAOYSA-N -1 3 398.937 3.119 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cncc(F)c1 ZINC000540865987 566676428 /nfs/dbraw/zinc/67/64/28/566676428.db2.gz RILQSPJAWNWBOQ-NSHDSACASA-N -1 3 390.267 3.085 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000540864994 566676686 /nfs/dbraw/zinc/67/66/86/566676686.db2.gz BDJRCOMDHHYBIC-INIZCTEOSA-N -1 3 399.299 3.218 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000540866246 566677103 /nfs/dbraw/zinc/67/71/03/566677103.db2.gz MOQKHAKZAWCYFT-LLVKDONJSA-N -1 3 390.292 3.155 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)CCCC1 ZINC000580265326 566677604 /nfs/dbraw/zinc/67/76/04/566677604.db2.gz OOGAHHJVVUXFRX-UHFFFAOYSA-N -1 3 379.400 3.489 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000607667380 566677852 /nfs/dbraw/zinc/67/78/52/566677852.db2.gz VCSOGLWVOVYTIC-INIZCTEOSA-N -1 3 378.519 3.089 20 0 GGADHM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(F)(F)F ZINC000540868172 566678247 /nfs/dbraw/zinc/67/82/47/566678247.db2.gz OLQXLGSJURNVBI-ZDUSSCGKSA-N -1 3 376.400 3.174 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C(F)(F)F ZINC000425795099 566678488 /nfs/dbraw/zinc/67/84/88/566678488.db2.gz DZFOFFZCOPNUIS-BYPYZUCNSA-N -1 3 391.546 3.247 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cncc(Cl)c1 ZINC000540868155 566678358 /nfs/dbraw/zinc/67/83/58/566678358.db2.gz NZQNTNBEGUMIQC-NSHDSACASA-N -1 3 390.267 3.085 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cncc(Cl)c1 ZINC000540868154 566678829 /nfs/dbraw/zinc/67/88/29/566678829.db2.gz NZQNTNBEGUMIQC-LLVKDONJSA-N -1 3 390.267 3.085 20 0 GGADHM O=C(N[C@@H]1CCCOCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000580269969 566679644 /nfs/dbraw/zinc/67/96/44/566679644.db2.gz NQJUILDSGXSNTH-SNVBAGLBSA-N -1 3 399.672 3.243 20 0 GGADHM O=C(N[C@@H]1CCCOCC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000580269969 566679649 /nfs/dbraw/zinc/67/96/49/566679649.db2.gz NQJUILDSGXSNTH-SNVBAGLBSA-N -1 3 399.672 3.243 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCc2ccc(O)cc2C1 ZINC000676200524 566680259 /nfs/dbraw/zinc/68/02/59/566680259.db2.gz VYBWHXKZCHUVMB-UHFFFAOYSA-N -1 3 399.244 3.195 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)CC(C)(C)c2ccccc2)s1 ZINC000580303701 566681322 /nfs/dbraw/zinc/68/13/22/566681322.db2.gz MKGPVDOCBKONJA-GFCCVEGCSA-N -1 3 381.523 3.136 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000540939210 566682905 /nfs/dbraw/zinc/68/29/05/566682905.db2.gz QOGZOLRNNCWCRP-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM Cc1cc(C)c(C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)o1 ZINC000487591400 566682868 /nfs/dbraw/zinc/68/28/68/566682868.db2.gz YJIKXKVCKWMOLI-UHFFFAOYSA-N -1 3 386.832 3.382 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)s1 ZINC000540941849 566682984 /nfs/dbraw/zinc/68/29/84/566682984.db2.gz KGRQBWIUYBUBGV-UHFFFAOYSA-N -1 3 381.523 3.284 20 0 GGADHM CCc1cc(C(=O)NCc2cc3c(c(Br)c2)OCO3)ccc1[O-] ZINC000561189666 566683554 /nfs/dbraw/zinc/68/35/54/566683554.db2.gz HNHLWPRXDQJELZ-UHFFFAOYSA-N -1 3 378.222 3.376 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000540941693 566683470 /nfs/dbraw/zinc/68/34/70/566683470.db2.gz JJBCHOGWFRFOQU-MRXNPFEDSA-N -1 3 377.359 3.050 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629771991 566683906 /nfs/dbraw/zinc/68/39/06/566683906.db2.gz KQGBYMNQUWOBMO-SJKOYZFVSA-N -1 3 392.297 3.486 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1C(F)(F)F ZINC000425968380 566684017 /nfs/dbraw/zinc/68/40/17/566684017.db2.gz RTIYWVIWYVXHNW-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1cccc2nn[n-]c21 ZINC000540963377 566685372 /nfs/dbraw/zinc/68/53/72/566685372.db2.gz MJNSRSWEDPSWPV-UHFFFAOYSA-N -1 3 377.217 3.222 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1cccc2[n-]nnc21 ZINC000540963377 566685376 /nfs/dbraw/zinc/68/53/76/566685376.db2.gz MJNSRSWEDPSWPV-UHFFFAOYSA-N -1 3 377.217 3.222 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1cccc2n[n-]nc21 ZINC000540963377 566685378 /nfs/dbraw/zinc/68/53/78/566685378.db2.gz MJNSRSWEDPSWPV-UHFFFAOYSA-N -1 3 377.217 3.222 20 0 GGADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1OC ZINC000561225888 566687201 /nfs/dbraw/zinc/68/72/01/566687201.db2.gz TYUPZNMAGQCQHT-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM O=C([N-]c1ncc(Cl)s1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000607951135 566687478 /nfs/dbraw/zinc/68/74/78/566687478.db2.gz GBUCYLAIFGQHAP-UHFFFAOYSA-N -1 3 391.927 3.285 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000487719132 566688510 /nfs/dbraw/zinc/68/85/10/566688510.db2.gz YCDSEZYUOGWUSZ-QGZVFWFLSA-N -1 3 398.937 3.256 20 0 GGADHM Cc1cc(Br)c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1Cl ZINC000561250053 566688637 /nfs/dbraw/zinc/68/86/37/566688637.db2.gz KFASLXYONBHGKR-UHFFFAOYSA-N -1 3 394.603 3.420 20 0 GGADHM COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000561284321 566692000 /nfs/dbraw/zinc/69/20/00/566692000.db2.gz FJZKFPAVRHHWGH-AAEUAGOBSA-N -1 3 387.910 3.100 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000561284335 566692340 /nfs/dbraw/zinc/69/23/40/566692340.db2.gz FJZKFPAVRHHWGH-WCQYABFASA-N -1 3 387.910 3.100 20 0 GGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)on1 ZINC000608025369 566692809 /nfs/dbraw/zinc/69/28/09/566692809.db2.gz UZNTUMWVZFZRGO-UHFFFAOYSA-N -1 3 377.235 3.178 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)s1 ZINC000608033775 566694052 /nfs/dbraw/zinc/69/40/52/566694052.db2.gz QGWVOYAEJYCIBG-BONVTDFDSA-N -1 3 399.563 3.140 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000608033030 566694392 /nfs/dbraw/zinc/69/43/92/566694392.db2.gz NBTOEVJOHYMDSH-AMFBXLIHSA-N -1 3 394.320 3.484 20 0 GGADHM CC1(C)CC[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000426131302 566694368 /nfs/dbraw/zinc/69/43/68/566694368.db2.gz ZROWIJZDRGFBCM-ZDUSSCGKSA-N -1 3 382.233 3.296 20 0 GGADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000580449120 566694351 /nfs/dbraw/zinc/69/43/51/566694351.db2.gz GRWRMWYPZSKJNJ-CQSZACIVSA-N -1 3 380.275 3.422 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)s1 ZINC000608032505 566694474 /nfs/dbraw/zinc/69/44/74/566694474.db2.gz CQHBTQSTCTYLLB-MVWJERBFSA-N -1 3 394.356 3.301 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@@H](c2cccs2)N2CCCC2)s1 ZINC000515132403 566694467 /nfs/dbraw/zinc/69/44/67/566694467.db2.gz SJJGBHKPRPVOHL-NSHDSACASA-N -1 3 383.568 3.092 20 0 GGADHM COc1ccc(NC(=O)c2cc(Br)c(OC)c(OC)c2)c([O-])c1 ZINC000515189524 566696137 /nfs/dbraw/zinc/69/61/37/566696137.db2.gz QYRGQPFRFAQQDQ-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000608048691 566696881 /nfs/dbraw/zinc/69/68/81/566696881.db2.gz QRTYQAUTDWAYTK-UHFFFAOYSA-N -1 3 376.309 3.439 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(Cl)ccc1-n1cnnn1 ZINC000515206365 566697920 /nfs/dbraw/zinc/69/79/20/566697920.db2.gz UTRCSIMRGMGHEQ-UHFFFAOYSA-N -1 3 394.616 3.036 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000541130787 566699031 /nfs/dbraw/zinc/69/90/31/566699031.db2.gz JBOINHZEAHTSQZ-UHFFFAOYSA-N -1 3 380.495 3.210 20 0 GGADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)OC ZINC000676564728 566700512 /nfs/dbraw/zinc/70/05/12/566700512.db2.gz OSTLKGOASGDBCP-WFASDCNBSA-N -1 3 390.571 3.065 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)c1ccccc1 ZINC000541209216 566702669 /nfs/dbraw/zinc/70/26/69/566702669.db2.gz FYNBJTVAQKPVCR-CYBMUJFWSA-N -1 3 388.258 3.254 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCCC[C@@H]1O ZINC000541212409 566703511 /nfs/dbraw/zinc/70/35/11/566703511.db2.gz PXHUDSHMDLGOBV-KBPBESRZSA-N -1 3 396.734 3.322 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccc(Br)cc32)cc1 ZINC000488032305 566704830 /nfs/dbraw/zinc/70/48/30/566704830.db2.gz OYSKXFZGRJBKGV-UHFFFAOYSA-N -1 3 395.278 3.024 20 0 GGADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541217159 566704814 /nfs/dbraw/zinc/70/48/14/566704814.db2.gz QWBRISQZVUWTDL-SNVBAGLBSA-N -1 3 376.247 3.481 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000488120387 566707882 /nfs/dbraw/zinc/70/78/82/566707882.db2.gz CLRUNDSLHDPTMX-ZDUSSCGKSA-N -1 3 391.265 3.172 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000541247485 566708220 /nfs/dbraw/zinc/70/82/20/566708220.db2.gz VZLPETZHSPRTCJ-LLVKDONJSA-N -1 3 395.750 3.113 20 0 GGADHM COC(=O)c1ccc(-c2nc(CCc3ccccc3Br)no2)[n-]1 ZINC000426403929 566708384 /nfs/dbraw/zinc/70/83/84/566708384.db2.gz YGKXDKSPJWQKCS-UHFFFAOYSA-N -1 3 376.210 3.399 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)s1 ZINC000676849156 566711169 /nfs/dbraw/zinc/71/11/69/566711169.db2.gz RFIWEVFTZNNBIC-CYBMUJFWSA-N -1 3 375.462 3.336 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)s1 ZINC000676851227 566711372 /nfs/dbraw/zinc/71/13/72/566711372.db2.gz OEWSXBLNYHSBOL-CQSZACIVSA-N -1 3 390.324 3.005 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2Cl)s1 ZINC000561513781 566711797 /nfs/dbraw/zinc/71/17/97/566711797.db2.gz JGHMLUBVDFDXMN-SSDOTTSWSA-N -1 3 394.305 3.448 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000676863573 566712297 /nfs/dbraw/zinc/71/22/97/566712297.db2.gz RJLLEKGPTVEGRB-BXUZGUMPSA-N -1 3 386.926 3.293 20 0 GGADHM CC(C)CCN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000608312059 566712533 /nfs/dbraw/zinc/71/25/33/566712533.db2.gz JJCNYQHIDZFSIQ-UHFFFAOYSA-N -1 3 381.420 3.037 20 0 GGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000676862786 566712626 /nfs/dbraw/zinc/71/26/26/566712626.db2.gz SSQKJVZLFGHPJF-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1cc(Br)ccc1Cl ZINC000676865000 566712956 /nfs/dbraw/zinc/71/29/56/566712956.db2.gz RNGAFCMHNIXUAK-UHFFFAOYSA-N -1 3 396.734 3.324 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000580672124 566713206 /nfs/dbraw/zinc/71/32/06/566713206.db2.gz LBBPUKNPOVYCQO-RFAUZJTJSA-N -1 3 386.242 3.389 20 0 GGADHM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cc(F)ccc3Cl)cc2o1 ZINC000608341845 566713324 /nfs/dbraw/zinc/71/33/24/566713324.db2.gz QSWXSSCGLHFZFH-UHFFFAOYSA-N -1 3 377.180 3.368 20 0 GGADHM Cc1nc([N-]C(=O)c2csc(-c3ccc(Br)s3)n2)nn1C ZINC000561522491 566713419 /nfs/dbraw/zinc/71/34/19/566713419.db2.gz IEEUXBBZMACGQM-UHFFFAOYSA-N -1 3 384.284 3.323 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)s1 ZINC000561521414 566713433 /nfs/dbraw/zinc/71/34/33/566713433.db2.gz SPOSHOBKCPCXPP-XXLQHYSLSA-N -1 3 399.925 3.431 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)s1 ZINC000541310131 566713624 /nfs/dbraw/zinc/71/36/24/566713624.db2.gz WQDLHGFCTCZYBY-MWLCHTKSSA-N -1 3 382.345 3.303 20 0 GGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)Cc1ccccc1Br ZINC000561518954 566713837 /nfs/dbraw/zinc/71/38/37/566713837.db2.gz LZDKEQMDJBVCBB-UHFFFAOYSA-N -1 3 378.332 3.200 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cs1 ZINC000676884134 566714632 /nfs/dbraw/zinc/71/46/32/566714632.db2.gz UEMIUPLJQMOUBN-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM O=S(=O)([N-][C@H](C1CCCCC1)C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000541311040 566715460 /nfs/dbraw/zinc/71/54/60/566715460.db2.gz FUPIPEQUZCBIKT-OAHLLOKOSA-N -1 3 379.400 3.247 20 0 GGADHM Cn1ncc2c1nc(CN(Cc1csc(Br)c1)C1CC1)[n-]c2=O ZINC000676904697 566716103 /nfs/dbraw/zinc/71/61/03/566716103.db2.gz RGIUJHCTCDESHI-UHFFFAOYSA-N -1 3 394.298 3.058 20 0 GGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000488226734 566716098 /nfs/dbraw/zinc/71/60/98/566716098.db2.gz WLQQMMNGSGIFHR-UHFFFAOYSA-N -1 3 383.853 3.255 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)cn1 ZINC000515482694 566716221 /nfs/dbraw/zinc/71/62/21/566716221.db2.gz MBBKVXJBRWRDHX-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538324 566717023 /nfs/dbraw/zinc/71/70/23/566717023.db2.gz LRLHEZNJBAHGNX-GWCFXTLKSA-N -1 3 385.379 3.206 20 0 GGADHM CC(C)CSCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561541066 566719047 /nfs/dbraw/zinc/71/90/47/566719047.db2.gz XLEVYFOUEHNMJZ-UHFFFAOYSA-N -1 3 375.409 3.392 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(Br)cc1 ZINC000515522561 566719381 /nfs/dbraw/zinc/71/93/81/566719381.db2.gz KGJKDWDEVBFWKK-UHFFFAOYSA-N -1 3 387.299 3.310 20 0 GGADHM C[C@H](c1ccc(Br)cc1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000580740228 566719374 /nfs/dbraw/zinc/71/93/74/566719374.db2.gz ICIZCHCGKVVCCK-CQSZACIVSA-N -1 3 376.298 3.429 20 0 GGADHM Cc1ncc(CNC(=O)NCC(C)(C)c2ccccc2Br)c(=O)[n-]1 ZINC000541340596 566719816 /nfs/dbraw/zinc/71/98/16/566719816.db2.gz NDOQZLXJLGZVOJ-UHFFFAOYSA-N -1 3 393.285 3.030 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(Cl)cc1Br ZINC000541370962 566721043 /nfs/dbraw/zinc/72/10/43/566721043.db2.gz PVAJLESEGCZVAU-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)c(Cl)cc1F ZINC000561560495 566721127 /nfs/dbraw/zinc/72/11/27/566721127.db2.gz FLMSCDAAKFOCOG-NSHDSACASA-N -1 3 392.279 3.495 20 0 GGADHM NC(=O)Nc1cccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)c1 ZINC000426654896 566721577 /nfs/dbraw/zinc/72/15/77/566721577.db2.gz OWTIZYPWXOMPNE-UHFFFAOYSA-N -1 3 375.841 3.212 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000561560271 566722038 /nfs/dbraw/zinc/72/20/38/566722038.db2.gz KHKDXZGKLDCADX-FUXBKTLASA-N -1 3 392.271 3.450 20 0 GGADHM COc1ccc(Br)c(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426629305 566722204 /nfs/dbraw/zinc/72/22/04/566722204.db2.gz QAGIOWPLBUJURP-MRXNPFEDSA-N -1 3 398.228 3.219 20 0 GGADHM COc1c(Br)cccc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426642335 566722241 /nfs/dbraw/zinc/72/22/41/566722241.db2.gz HRCBPEOPXXSZQH-OAHLLOKOSA-N -1 3 398.228 3.219 20 0 GGADHM O=C([O-])[C@@H](CNCc1cc(Br)ccc1F)Oc1ccc(F)cc1 ZINC000426642570 566722250 /nfs/dbraw/zinc/72/22/50/566722250.db2.gz JTJNNLKDBAPBIV-OAHLLOKOSA-N -1 3 386.192 3.349 20 0 GGADHM O=C([O-])[C@@H](CNCc1ccc(F)c(Br)c1)Oc1ccc(F)cc1 ZINC000426649973 566722282 /nfs/dbraw/zinc/72/22/82/566722282.db2.gz ZEWSRUKWBFGYFB-OAHLLOKOSA-N -1 3 386.192 3.349 20 0 GGADHM O=C([O-])[C@@H](CNCc1ccc(F)cc1Br)Oc1ccc(F)cc1 ZINC000426642560 566722343 /nfs/dbraw/zinc/72/23/43/566722343.db2.gz JRZZWTOWYNJJDP-OAHLLOKOSA-N -1 3 386.192 3.349 20 0 GGADHM O=C([O-])c1ccnc(N2CCC(NCc3csc(Br)c3)CC2)c1 ZINC000426632770 566722648 /nfs/dbraw/zinc/72/26/48/566722648.db2.gz ZQBBLSWJZDJITR-UHFFFAOYSA-N -1 3 396.310 3.362 20 0 GGADHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000541387127 566722931 /nfs/dbraw/zinc/72/29/31/566722931.db2.gz VWUVEVRUMQTMKZ-DTWKUNHWSA-N -1 3 387.807 3.225 20 0 GGADHM C[C@@H]1C[C@@H](N=c2[n-]nc(-c3cc(Br)ccc3F)s2)CCN1C ZINC000468721537 566722936 /nfs/dbraw/zinc/72/29/36/566722936.db2.gz CZFKFUAYDZFQOV-KOLCDFICSA-N -1 3 385.306 3.423 20 0 GGADHM C[C@H]1C[C@H](N=c2[n-]nc(-c3cc(Br)ccc3F)s2)CCN1C ZINC000468721536 566723171 /nfs/dbraw/zinc/72/31/71/566723171.db2.gz CZFKFUAYDZFQOV-GXSJLCMTSA-N -1 3 385.306 3.423 20 0 GGADHM O=C([O-])Cc1ccccc1CNCc1cc2c(c(Br)c1)OCO2 ZINC000426708986 566723296 /nfs/dbraw/zinc/72/32/96/566723296.db2.gz PESWYFYKEIMGAW-UHFFFAOYSA-N -1 3 378.222 3.095 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(c2ccc(Br)cn2)C(C)C)c(=O)[n-]1 ZINC000515622435 566723640 /nfs/dbraw/zinc/72/36/40/566723640.db2.gz PEMBFNWFCYMDKB-UHFFFAOYSA-N -1 3 393.285 3.331 20 0 GGADHM COc1cc(Br)ccc1CNCCc1ccc(OCC(=O)[O-])cc1 ZINC000426689389 566723847 /nfs/dbraw/zinc/72/38/47/566723847.db2.gz UVZQXKCMKDMTSQ-UHFFFAOYSA-N -1 3 394.265 3.253 20 0 GGADHM COc1cc(CNCc2ccccc2CC(=O)[O-])cc(Br)c1O ZINC000426707658 566724172 /nfs/dbraw/zinc/72/41/72/566724172.db2.gz BQBRSZMJNPMLLX-UHFFFAOYSA-N -1 3 380.238 3.080 20 0 GGADHM C[C@@H]1CC[C@H](C)N1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000580805386 566724944 /nfs/dbraw/zinc/72/49/44/566724944.db2.gz RSADVUKURKFTEQ-AOOOYVTPSA-N -1 3 398.834 3.037 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2ccc(Br)cc2Cl)C(=O)[O-])n1 ZINC000426727030 566725401 /nfs/dbraw/zinc/72/54/01/566725401.db2.gz MCNHEJHMRHNGLT-CQSZACIVSA-N -1 3 386.677 3.159 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)[O-])n1 ZINC000426735188 566725594 /nfs/dbraw/zinc/72/55/94/566725594.db2.gz DHRGWZMUNYJYOK-CQSZACIVSA-N -1 3 375.778 3.415 20 0 GGADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000426735596 566725657 /nfs/dbraw/zinc/72/56/57/566725657.db2.gz UPZMGTNWTBCTJA-AAEUAGOBSA-N -1 3 392.091 3.340 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)C(=O)NCc1cnc(C)[n-]c1=O ZINC000541456847 566725780 /nfs/dbraw/zinc/72/57/80/566725780.db2.gz SWEBHDRYGNZPAU-LBPRGKRZSA-N -1 3 378.270 3.138 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2sccc2F)cc1Cl ZINC000450974191 566726717 /nfs/dbraw/zinc/72/67/17/566726717.db2.gz VASBIVLJKWUUNW-UHFFFAOYSA-N -1 3 378.878 3.282 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2ccc(Cl)c(Br)c2)C(=O)[O-])n1 ZINC000426742808 566727009 /nfs/dbraw/zinc/72/70/09/566727009.db2.gz LENHWQUJOJZBBX-CQSZACIVSA-N -1 3 386.677 3.159 20 0 GGADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1cncc(Br)c1 ZINC000426746746 566727156 /nfs/dbraw/zinc/72/71/56/566727156.db2.gz ZOUAOLHPUHULQV-INIZCTEOSA-N -1 3 395.322 3.363 20 0 GGADHM COc1cccc(C[C@@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000426779272 566729291 /nfs/dbraw/zinc/72/92/91/566729291.db2.gz GAPJJGKKKNBAMK-MRXNPFEDSA-N -1 3 382.229 3.382 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1ccc(F)cc1F ZINC000515724064 566729585 /nfs/dbraw/zinc/72/95/85/566729585.db2.gz RIEGAKDAAUMJOC-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM CCCSC[C@H](NCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000426779246 566729697 /nfs/dbraw/zinc/72/96/97/566729697.db2.gz FRGQVDPGFGGKOH-LBPRGKRZSA-N -1 3 392.315 3.152 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c(F)cc1F ZINC000561690479 566729714 /nfs/dbraw/zinc/72/97/14/566729714.db2.gz RGJFQMJXTPYMBN-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM O=C(NCc1ccccn1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468787392 566729687 /nfs/dbraw/zinc/72/96/87/566729687.db2.gz CHTAUNGYMBCNMN-UHFFFAOYSA-N -1 3 392.640 3.269 20 0 GGADHM O=C(NCc1ccccn1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000468787392 566729693 /nfs/dbraw/zinc/72/96/93/566729693.db2.gz CHTAUNGYMBCNMN-UHFFFAOYSA-N -1 3 392.640 3.269 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]c2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000450985750 566730232 /nfs/dbraw/zinc/73/02/32/566730232.db2.gz KUVOKGBZFXXJTR-UHFFFAOYSA-N -1 3 379.551 3.388 20 0 GGADHM COc1cccc(C[C@@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000426808230 566730364 /nfs/dbraw/zinc/73/03/64/566730364.db2.gz QRPXKLOYTPDWEO-MRXNPFEDSA-N -1 3 382.229 3.382 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2cc(Cl)cc(Cl)c2F)on1 ZINC000630448616 566730410 /nfs/dbraw/zinc/73/04/10/566730410.db2.gz KTGNXEUAZUPDPA-MRVPVSSYSA-N -1 3 395.239 3.371 20 0 GGADHM O=C(N[C@H]1C[C@@H]1C(F)F)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000561695571 566730585 /nfs/dbraw/zinc/73/05/85/566730585.db2.gz IGGQKHFTIWDCPG-RYUDHWBXSA-N -1 3 392.493 3.133 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)s1 ZINC000515729681 566730722 /nfs/dbraw/zinc/73/07/22/566730722.db2.gz RGNGOWIGWNKODS-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c1Cl ZINC000515731199 566731229 /nfs/dbraw/zinc/73/12/29/566731229.db2.gz KCNADEXYZMYSBR-UHFFFAOYSA-N -1 3 389.308 3.098 20 0 GGADHM COCCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426793204 566731356 /nfs/dbraw/zinc/73/13/56/566731356.db2.gz MKBUINLWUFSHEB-KRWDZBQOSA-N -1 3 394.265 3.390 20 0 GGADHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468796206 566731477 /nfs/dbraw/zinc/73/14/77/566731477.db2.gz BNRDVHNXLXZILH-QGZVFWFLSA-N -1 3 375.918 3.348 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C ZINC000608745184 566731547 /nfs/dbraw/zinc/73/15/47/566731547.db2.gz ZYMIZOWLZBWVQI-CQSZACIVSA-N -1 3 394.331 3.187 20 0 GGADHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541538000 566731845 /nfs/dbraw/zinc/73/18/45/566731845.db2.gz JFAXIIQGCDGMIS-CQSZACIVSA-N -1 3 399.285 3.053 20 0 GGADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000541538059 566732150 /nfs/dbraw/zinc/73/21/50/566732150.db2.gz MBNAHAWQUGWBSR-RYUDHWBXSA-N -1 3 394.306 3.460 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000677240426 566732482 /nfs/dbraw/zinc/73/24/82/566732482.db2.gz BMAFFPIZGZHLFZ-GFCCVEGCSA-N -1 3 391.440 3.028 20 0 GGADHM CSc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2F)ccn1 ZINC000541537531 566732476 /nfs/dbraw/zinc/73/24/76/566732476.db2.gz TURWEFVBOSNWNP-UHFFFAOYSA-N -1 3 391.287 3.184 20 0 GGADHM O=C([O-])[C@@H](Cc1ccco1)NCc1ccc(OC(F)F)c(Br)c1 ZINC000426817850 566732342 /nfs/dbraw/zinc/73/23/42/566732342.db2.gz QJGUGYDKAFFDSP-GFCCVEGCSA-N -1 3 390.180 3.429 20 0 GGADHM O=C(Nc1nc2cc(Br)ccc2[nH]1)c1csc(=NC2CC2)[n-]1 ZINC000426839908 566732497 /nfs/dbraw/zinc/73/24/97/566732497.db2.gz HUSVCXCQBUJARS-UHFFFAOYSA-N -1 3 378.255 3.030 20 0 GGADHM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1csc(=NC2CC2)[n-]1 ZINC000426839908 566732504 /nfs/dbraw/zinc/73/25/04/566732504.db2.gz HUSVCXCQBUJARS-UHFFFAOYSA-N -1 3 378.255 3.030 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(Cl)cc1 ZINC000677238997 566732806 /nfs/dbraw/zinc/73/28/06/566732806.db2.gz LKSWPHINTZYFCF-OAHLLOKOSA-N -1 3 397.287 3.190 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1c1cccc(Cl)c1 ZINC000561722536 566732890 /nfs/dbraw/zinc/73/28/90/566732890.db2.gz OPXKQPORRCCVQV-MRXNPFEDSA-N -1 3 399.299 3.218 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc(Br)c1O ZINC000426825756 566732893 /nfs/dbraw/zinc/73/28/93/566732893.db2.gz MWCFCXQKZRZICW-CQSZACIVSA-N -1 3 384.201 3.218 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1csc(C(F)(F)F)c1 ZINC000630454507 566733063 /nfs/dbraw/zinc/73/30/63/566733063.db2.gz RWEVVESVJOOLKN-QMMMGPOBSA-N -1 3 387.305 3.225 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1ccsc1Br ZINC000630454602 566733083 /nfs/dbraw/zinc/73/30/83/566733083.db2.gz FMHCNNXCIDDXMZ-LLVKDONJSA-N -1 3 384.251 3.025 20 0 GGADHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000515758367 566733007 /nfs/dbraw/zinc/73/30/07/566733007.db2.gz QEBDVUTYFFFACL-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426822378 566733235 /nfs/dbraw/zinc/73/32/35/566733235.db2.gz BRHJMEJDSBMMCR-INIZCTEOSA-N -1 3 377.238 3.323 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1csc(C(F)(F)F)c1 ZINC000630454503 566733438 /nfs/dbraw/zinc/73/34/38/566733438.db2.gz RWEVVESVJOOLKN-MRVPVSSYSA-N -1 3 387.305 3.225 20 0 GGADHM Cc1ccc(C[C@H](CNCc2ncc(Br)cc2F)C(=O)[O-])cc1 ZINC000630452009 566733475 /nfs/dbraw/zinc/73/34/75/566733475.db2.gz OYNRKXRYLPGYCR-CYBMUJFWSA-N -1 3 381.245 3.325 20 0 GGADHM CN1CC=C(CN=c2[n-]nc(-c3cc(Br)ccc3F)s2)CC1 ZINC000468813271 566733368 /nfs/dbraw/zinc/73/33/68/566733368.db2.gz CAHQJHAUEXXGQH-UHFFFAOYSA-N -1 3 383.290 3.202 20 0 GGADHM O=S(=O)([N-]CCCOc1cccc2cccnc21)c1cncc(Cl)c1 ZINC000677238890 566733418 /nfs/dbraw/zinc/73/34/18/566733418.db2.gz HOJWDWUHYHYRMY-UHFFFAOYSA-N -1 3 377.853 3.031 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2cccc(Br)c2Cl)C(=O)[O-])n1 ZINC000630454877 566733637 /nfs/dbraw/zinc/73/36/37/566733637.db2.gz YHMCCGNNXNLOAW-CYBMUJFWSA-N -1 3 386.677 3.159 20 0 GGADHM COC(=O)Cc1occ(C)c1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000580921391 566733888 /nfs/dbraw/zinc/73/38/88/566733888.db2.gz IBFWMKHRVCXWRB-UHFFFAOYSA-N -1 3 377.447 3.444 20 0 GGADHM O=C([O-])[C@H](NCc1cc(Br)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000630466789 566734373 /nfs/dbraw/zinc/73/43/73/566734373.db2.gz AAJUFGLSWQHJCA-VXGBXAGGSA-N -1 3 382.176 3.190 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1c(Cl)cccc1Cl ZINC000515795959 566734297 /nfs/dbraw/zinc/73/42/97/566734297.db2.gz SAZGRLLTOWCUIY-VIFPVBQESA-N -1 3 393.317 3.038 20 0 GGADHM O=S(=O)(CCCCF)[N-]c1cc(F)c(I)c(F)c1 ZINC000451005604 566734470 /nfs/dbraw/zinc/73/44/70/566734470.db2.gz XSUUDJWCBCGKSY-UHFFFAOYSA-N -1 3 393.168 3.061 20 0 GGADHM COc1cc(CN[C@H](CC2(OC)CCC2)C(=O)[O-])c(F)cc1Br ZINC000630462777 566734540 /nfs/dbraw/zinc/73/45/40/566734540.db2.gz SJFUSHICTYTAPF-CYBMUJFWSA-N -1 3 390.249 3.099 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1cc(F)ccc1Br ZINC000561733768 566734664 /nfs/dbraw/zinc/73/46/64/566734664.db2.gz FLKMMIKUEMXUQS-JTQLQIEISA-N -1 3 386.242 3.043 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cnc1C ZINC000580928882 566734793 /nfs/dbraw/zinc/73/47/93/566734793.db2.gz RGVGNAAHPHBXAQ-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1OC(F)(F)F)c1cncc(Cl)c1 ZINC000677241276 566735178 /nfs/dbraw/zinc/73/51/78/566735178.db2.gz ONDLCVASCVQSQP-UHFFFAOYSA-N -1 3 380.775 3.155 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1cccc(Cl)c1 ZINC000561742368 566735763 /nfs/dbraw/zinc/73/57/63/566735763.db2.gz DLWIQWXEHOGWNN-CQSZACIVSA-N -1 3 387.860 3.462 20 0 GGADHM Cc1cnc(CCNC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000654496358 566736847 /nfs/dbraw/zinc/73/68/47/566736847.db2.gz QRZYQVJCSLYCHS-UHFFFAOYSA-N -1 3 378.270 3.208 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1C(=O)OC(C)C ZINC000561760130 566737007 /nfs/dbraw/zinc/73/70/07/566737007.db2.gz MSSDLFZREVBIHF-UHFFFAOYSA-N -1 3 379.400 3.324 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000468845741 566737088 /nfs/dbraw/zinc/73/70/88/566737088.db2.gz FYCVCDZJAPSSOJ-VHSXEESVSA-N -1 3 389.823 3.373 20 0 GGADHM CSc1nc(C(=O)NCc2ccc([O-])c(Br)c2)c2ccccn21 ZINC000488670896 566739058 /nfs/dbraw/zinc/73/90/58/566739058.db2.gz COFNOQHQKUNPSU-UHFFFAOYSA-N -1 3 392.278 3.454 20 0 GGADHM O=S(=O)([N-][C@H](Cn1cccn1)c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000677313335 566739850 /nfs/dbraw/zinc/73/98/50/566739850.db2.gz JJLCNPYTBPGXFY-QGZVFWFLSA-N -1 3 379.844 3.395 20 0 GGADHM COc1ccc(CNc2nnc(SCc3cc(=O)c([O-])co3)s2)cc1 ZINC000677308854 566739956 /nfs/dbraw/zinc/73/99/56/566739956.db2.gz GCAQQSJMKKOJNW-UHFFFAOYSA-N -1 3 377.447 3.110 20 0 GGADHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468873952 566740339 /nfs/dbraw/zinc/74/03/39/566740339.db2.gz GEROTIFIYXIEPL-OAHLLOKOSA-N -1 3 375.918 3.204 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H](c1ccccc1)n1cccn1 ZINC000488681939 566741774 /nfs/dbraw/zinc/74/17/74/566741774.db2.gz WGROIVNDLTXFSK-QGZVFWFLSA-N -1 3 386.249 3.257 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)s1 ZINC000451045689 566742051 /nfs/dbraw/zinc/74/20/51/566742051.db2.gz YJMLSBIYBDGVNP-IONNQARKSA-N -1 3 393.836 3.266 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccc(Cl)s1 ZINC000451045685 566742488 /nfs/dbraw/zinc/74/24/88/566742488.db2.gz YJMLSBIYBDGVNP-APPZFPTMSA-N -1 3 393.836 3.266 20 0 GGADHM O=C([O-])CN(CCOCC(F)(F)C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000516075925 566744286 /nfs/dbraw/zinc/74/42/86/566744286.db2.gz JPFIFTGOIFCRHL-UHFFFAOYSA-N -1 3 375.721 3.441 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]c2ccccc2I)c1 ZINC000608954331 566745061 /nfs/dbraw/zinc/74/50/61/566745061.db2.gz JEAHVGHSPBIQLR-UHFFFAOYSA-N -1 3 389.214 3.101 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000451058583 566745730 /nfs/dbraw/zinc/74/57/30/566745730.db2.gz GQJSDDSJHFXKFZ-LBPRGKRZSA-N -1 3 380.413 3.432 20 0 GGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000541760708 566745824 /nfs/dbraw/zinc/74/58/24/566745824.db2.gz KLNBMRCNDLSRLA-CQSZACIVSA-N -1 3 396.242 3.425 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1ccon1 ZINC000561883302 566746029 /nfs/dbraw/zinc/74/60/29/566746029.db2.gz SNRXBQAUIKSCGK-SSDOTTSWSA-N -1 3 399.188 3.495 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)CCCCC1 ZINC000427099114 566746169 /nfs/dbraw/zinc/74/61/69/566746169.db2.gz GMHMBMXZEKRVKX-UHFFFAOYSA-N -1 3 388.917 3.271 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000427096412 566746228 /nfs/dbraw/zinc/74/62/28/566746228.db2.gz HCXFIUGOFUCHHP-GDBMZVCRSA-N -1 3 384.567 3.376 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000451067116 566747130 /nfs/dbraw/zinc/74/71/30/566747130.db2.gz VZPUNLAERGJFPX-CYBMUJFWSA-N -1 3 395.424 3.205 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cn1 ZINC000541793492 566747510 /nfs/dbraw/zinc/74/75/10/566747510.db2.gz CWUFUHJYMHLSNS-UHFFFAOYSA-N -1 3 393.209 3.322 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451066786 566747555 /nfs/dbraw/zinc/74/75/55/566747555.db2.gz XPVYWEXINRSABX-LBPRGKRZSA-N -1 3 378.397 3.236 20 0 GGADHM O=C(NCc1ccncc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468957446 566747623 /nfs/dbraw/zinc/74/76/23/566747623.db2.gz NPVSUXUPWDTPEJ-UHFFFAOYSA-N -1 3 392.640 3.269 20 0 GGADHM O=C(NCc1ccncc1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000468957446 566747628 /nfs/dbraw/zinc/74/76/28/566747628.db2.gz NPVSUXUPWDTPEJ-UHFFFAOYSA-N -1 3 392.640 3.269 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000427115366 566748457 /nfs/dbraw/zinc/74/84/57/566748457.db2.gz UXWKTSHMQWMSQG-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1cc(C)cc(C)c1 ZINC000468973709 566748710 /nfs/dbraw/zinc/74/87/10/566748710.db2.gz ODLFQHQVMUQGJK-QGZVFWFLSA-N -1 3 379.503 3.218 20 0 GGADHM CC1(C)C(=O)Nc2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc21 ZINC000427109057 566748766 /nfs/dbraw/zinc/74/87/66/566748766.db2.gz FYAXROBUIPDMAH-UHFFFAOYSA-N -1 3 389.249 3.314 20 0 GGADHM CCOc1cccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451069141 566748817 /nfs/dbraw/zinc/74/88/17/566748817.db2.gz SEPRNYKDMIPJNB-GFCCVEGCSA-N -1 3 380.413 3.432 20 0 GGADHM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468959715 566748891 /nfs/dbraw/zinc/74/88/91/566748891.db2.gz NDLZRQVOCGQZLA-CYBMUJFWSA-N -1 3 383.901 3.082 20 0 GGADHM CC[C@@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000451071196 566749248 /nfs/dbraw/zinc/74/92/48/566749248.db2.gz QYMOYXQXCNJHQX-LLVKDONJSA-N -1 3 386.926 3.408 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cs1 ZINC000427125145 566749665 /nfs/dbraw/zinc/74/96/65/566749665.db2.gz ZUSYPDFGSADHJI-UHFFFAOYSA-N -1 3 383.264 3.137 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cnc1C ZINC000427138566 566749786 /nfs/dbraw/zinc/74/97/86/566749786.db2.gz YUONZWQGDSMCSM-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1csc(-c2ccccc2)n1 ZINC000541815903 566751165 /nfs/dbraw/zinc/75/11/65/566751165.db2.gz DPOWOZPOCZHSGD-UHFFFAOYSA-N -1 3 380.535 3.421 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000541812573 566751281 /nfs/dbraw/zinc/75/12/81/566751281.db2.gz XJRRBHXDRWFJRF-SECBINFHSA-N -1 3 399.925 3.072 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCCC[C@H]1C ZINC000488850992 566751942 /nfs/dbraw/zinc/75/19/42/566751942.db2.gz HKLADIHTXQRFQE-NEPJUHHUSA-N -1 3 382.423 3.386 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000488855633 566752079 /nfs/dbraw/zinc/75/20/79/566752079.db2.gz PKSVFQTUKPFMNV-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](C)C1 ZINC000488853212 566752341 /nfs/dbraw/zinc/75/23/41/566752341.db2.gz LSQFWOWGRBOJFI-NWDGAFQWSA-N -1 3 382.423 3.243 20 0 GGADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1cc(F)ccc1Cl ZINC000488853462 566752628 /nfs/dbraw/zinc/75/26/28/566752628.db2.gz FQIRPCFILRDKLO-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCCC[C@H]1C ZINC000488850995 566752767 /nfs/dbraw/zinc/75/27/67/566752767.db2.gz HKLADIHTXQRFQE-VXGBXAGGSA-N -1 3 382.423 3.386 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000541830933 566752796 /nfs/dbraw/zinc/75/27/96/566752796.db2.gz WUKZBBGIIMZJCC-UHFFFAOYSA-N -1 3 382.345 3.384 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000541830672 566752952 /nfs/dbraw/zinc/75/29/52/566752952.db2.gz UBTOSMZPBILINA-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM O=C(Nc1cccc(Br)c1)C1CCN(Cc2ncccc2[O-])CC1 ZINC000516214641 566753147 /nfs/dbraw/zinc/75/31/47/566753147.db2.gz SRKJXAFBBPHCEB-UHFFFAOYSA-N -1 3 390.281 3.400 20 0 GGADHM COc1ccc(CN2C[C@H](C)NC(=O)c3ccccc32)c(Br)c1[O-] ZINC000516220177 566753709 /nfs/dbraw/zinc/75/37/09/566753709.db2.gz NKZJFZBQIFXVNY-NSHDSACASA-N -1 3 391.265 3.302 20 0 GGADHM Cc1ncc(Br)cc1[N-]S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000451091582 566753782 /nfs/dbraw/zinc/75/37/82/566753782.db2.gz VZUIQKTZYDBLCN-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1C(F)(F)F ZINC000488859422 566754024 /nfs/dbraw/zinc/75/40/24/566754024.db2.gz ONQIFMOGUMIEFX-LBPRGKRZSA-N -1 3 375.343 3.127 20 0 GGADHM CCc1ccc(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000469026994 566754901 /nfs/dbraw/zinc/75/49/01/566754901.db2.gz TVGVEYWEPCDJNG-UHFFFAOYSA-N -1 3 384.295 3.337 20 0 GGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)c1 ZINC000451095945 566755413 /nfs/dbraw/zinc/75/54/13/566755413.db2.gz 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ZINC000516298102 566755880 /nfs/dbraw/zinc/75/58/80/566755880.db2.gz ZSNUOTDKJPEEFE-AWEZNQCLSA-N -1 3 376.544 3.038 20 0 GGADHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469042381 566756076 /nfs/dbraw/zinc/75/60/76/566756076.db2.gz OIOMQFTZUIDWHM-UHFFFAOYSA-N -1 3 389.901 3.139 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCCc1c[nH]c2cccc(Br)c12 ZINC000562018977 566757551 /nfs/dbraw/zinc/75/75/51/566757551.db2.gz ZUIDPLQUFCNEPN-UHFFFAOYSA-N -1 3 398.264 3.364 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N(C)C ZINC000488943005 566758665 /nfs/dbraw/zinc/75/86/65/566758665.db2.gz MTNGQJRPMQOOGJ-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000581212362 566759376 /nfs/dbraw/zinc/75/93/76/566759376.db2.gz PYTNEBUYOGDKDX-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000451111081 566759530 /nfs/dbraw/zinc/75/95/30/566759530.db2.gz DBIFZCJHYCLSMF-ZDUSSCGKSA-N -1 3 395.424 3.205 20 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/nfs/dbraw/zinc/76/08/75/566760875.db2.gz YROLXZMXIXIUDI-INIZCTEOSA-N -1 3 399.299 3.218 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000469096746 566760936 /nfs/dbraw/zinc/76/09/36/566760936.db2.gz XAPSLUVYUMUJFB-GFCCVEGCSA-N -1 3 387.395 3.106 20 0 GGADHM Cc1ccc(NCCCNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)nc1 ZINC000427254126 566760997 /nfs/dbraw/zinc/76/09/97/566760997.db2.gz WSJWQIYZEPEKAF-UHFFFAOYSA-N -1 3 375.885 3.149 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(F)ccc(Br)c3C2)on1 ZINC000451115888 566761006 /nfs/dbraw/zinc/76/10/06/566761006.db2.gz PEZPTOAMOCIKLE-JTQLQIEISA-N -1 3 382.233 3.270 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)s1 ZINC000427251918 566761084 /nfs/dbraw/zinc/76/10/84/566761084.db2.gz FDGBMTVAAVOIBQ-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)s1 ZINC000427251915 566761154 /nfs/dbraw/zinc/76/11/54/566761154.db2.gz FDGBMTVAAVOIBQ-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccsn3)no2)ccc1F ZINC000516397955 566761643 /nfs/dbraw/zinc/76/16/43/566761643.db2.gz GSBCLNAYOIHYFD-UHFFFAOYSA-N -1 3 382.442 3.076 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N(C)C)c1 ZINC000489000867 566761836 /nfs/dbraw/zinc/76/18/36/566761836.db2.gz LKBGTTYCSWQKMH-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000427273046 566762506 /nfs/dbraw/zinc/76/25/06/566762506.db2.gz KZNDSTVJSSELAE-UHFFFAOYSA-N -1 3 388.289 3.499 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000562070392 566762803 /nfs/dbraw/zinc/76/28/03/566762803.db2.gz LZMNTGHKJAREKO-CQSZACIVSA-N -1 3 375.416 3.164 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1ccc(F)c(F)c1 ZINC000562067694 566762879 /nfs/dbraw/zinc/76/28/79/566762879.db2.gz GXBPTDLKBQEBJC-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CCCn1cc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)cn1 ZINC000541951462 566763064 /nfs/dbraw/zinc/76/30/64/566763064.db2.gz GUAAYERSAIBBFT-UHFFFAOYSA-N -1 3 393.220 3.232 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000489006227 566763773 /nfs/dbraw/zinc/76/37/73/566763773.db2.gz ZBRGAQIFNNTMKX-LBPRGKRZSA-N -1 3 396.431 3.487 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000516473023 566764330 /nfs/dbraw/zinc/76/43/30/566764330.db2.gz QRPRRIAABCIGJV-SECBINFHSA-N -1 3 390.203 3.441 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c(Cl)c1 ZINC000677810951 566764228 /nfs/dbraw/zinc/76/42/28/566764228.db2.gz SOABANSNHWSJCF-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469135197 566764205 /nfs/dbraw/zinc/76/42/05/566764205.db2.gz SDWPHNLHUVZSMU-ZDUSSCGKSA-N -1 3 375.918 3.206 20 0 GGADHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469129925 566764503 /nfs/dbraw/zinc/76/45/03/566764503.db2.gz VKKSMXNJNKYVTH-UHFFFAOYSA-N -1 3 375.918 3.348 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000469133881 566764778 /nfs/dbraw/zinc/76/47/78/566764778.db2.gz UMQXKCPKPZZFRB-STQMWFEESA-N -1 3 393.933 3.236 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)CCCCC1 ZINC000427301980 566764788 /nfs/dbraw/zinc/76/47/88/566764788.db2.gz LYYYBIPGGQWQTG-UHFFFAOYSA-N -1 3 375.874 3.214 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000427284492 566764908 /nfs/dbraw/zinc/76/49/08/566764908.db2.gz NBMCHEFYCGALRI-QWHCGFSZSA-N -1 3 379.345 3.187 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)s1 ZINC000516515486 566766369 /nfs/dbraw/zinc/76/63/69/566766369.db2.gz VBWMSDKTHHCSJZ-LLVKDONJSA-N -1 3 390.939 3.065 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)s1 ZINC000516521712 566766381 /nfs/dbraw/zinc/76/63/81/566766381.db2.gz LWNWFQKPOBWZQZ-UHFFFAOYSA-N -1 3 379.381 3.017 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000451154450 566767963 /nfs/dbraw/zinc/76/79/63/566767963.db2.gz LEKXQQVCMNVLKZ-CQSZACIVSA-N -1 3 378.479 3.177 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1Cl ZINC000516592461 566770728 /nfs/dbraw/zinc/77/07/28/566770728.db2.gz WIVGNQKSHUAUGM-NSHDSACASA-N -1 3 390.288 3.056 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(C=Cc2ccco2)s1 ZINC000677942559 566770978 /nfs/dbraw/zinc/77/09/78/566770978.db2.gz PJBVXRQGSWBJRS-AATRIKPKSA-N -1 3 375.435 3.080 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000469213901 566771545 /nfs/dbraw/zinc/77/15/45/566771545.db2.gz NKFMREQIUXCCNS-WBMJQRKESA-N -1 3 393.958 3.318 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000516607079 566771679 /nfs/dbraw/zinc/77/16/79/566771679.db2.gz WRNMSJWYMHPFDS-ZDUSSCGKSA-N -1 3 393.212 3.285 20 0 GGADHM CCOc1cc(C(=O)NCCN(CC)CCC(F)(F)F)cc(Cl)c1[O-] ZINC000427416171 566772086 /nfs/dbraw/zinc/77/20/86/566772086.db2.gz SFINMBAKAXSSAT-UHFFFAOYSA-N -1 3 382.810 3.448 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC2(CCC2(F)F)C1 ZINC000581405956 566774667 /nfs/dbraw/zinc/77/46/67/566774667.db2.gz JMKLRRGHHYDWTH-UHFFFAOYSA-N -1 3 383.192 3.162 20 0 GGADHM O=C(COc1cccc(I)c1)Nc1ccc([O-])cc1F ZINC000427465550 566775314 /nfs/dbraw/zinc/77/53/14/566775314.db2.gz OCWOOJVGIYWGOM-UHFFFAOYSA-N -1 3 387.148 3.153 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000451200150 566775677 /nfs/dbraw/zinc/77/56/77/566775677.db2.gz SJFMSEFESSPRQG-LBPRGKRZSA-N -1 3 399.818 3.133 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542140352 566776865 /nfs/dbraw/zinc/77/68/65/566776865.db2.gz MYGOHVTXQPOWFR-SNVBAGLBSA-N -1 3 384.723 3.180 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)C(C)C ZINC000542142371 566777046 /nfs/dbraw/zinc/77/70/46/566777046.db2.gz VPCKEAKVQGQNOY-LBPRGKRZSA-N -1 3 382.295 3.318 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542141485 566777292 /nfs/dbraw/zinc/77/72/92/566777292.db2.gz ZYMYDXGPSLOSOY-UHFFFAOYSA-N -1 3 391.262 3.180 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(F)c2F)s1 ZINC000678040377 566778159 /nfs/dbraw/zinc/77/81/59/566778159.db2.gz GHHYCSXOCZDPIT-NXEZZACHSA-N -1 3 388.461 3.263 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]Cc2nc(C(C)C)c(C)s2)CCCCC1 ZINC000489279917 566778428 /nfs/dbraw/zinc/77/84/28/566778428.db2.gz SJEHWNFGDRJZEX-UHFFFAOYSA-N -1 3 388.555 3.118 20 0 GGADHM CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2c([O-])cccc2Cl)s1 ZINC000655110445 566779257 /nfs/dbraw/zinc/77/92/57/566779257.db2.gz XFMSWOWUNNSNPX-UHFFFAOYSA-N -1 3 382.873 3.453 20 0 GGADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)c(Br)c1 ZINC000655112797 566779271 /nfs/dbraw/zinc/77/92/71/566779271.db2.gz JYFKBINKTFHMAO-QMMMGPOBSA-N -1 3 380.217 3.452 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1scc(C)c1Br ZINC000489295147 566779665 /nfs/dbraw/zinc/77/96/65/566779665.db2.gz MMUMBGPUQUHHJJ-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM CC(C)CC[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489310962 566780235 /nfs/dbraw/zinc/78/02/35/566780235.db2.gz COJHDMLFNRRSBE-GFCCVEGCSA-N -1 3 378.947 3.107 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000655141340 566780744 /nfs/dbraw/zinc/78/07/44/566780744.db2.gz QYVMGHBFTUKULD-CQSZACIVSA-N -1 3 389.253 3.194 20 0 GGADHM CCc1cccc(C(=O)N(CCO)Cc2cccc(Br)c2)c1[O-] ZINC000562356755 566783150 /nfs/dbraw/zinc/78/31/50/566783150.db2.gz QVVUCNKKDSGPDV-UHFFFAOYSA-N -1 3 378.266 3.352 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1OC(C)C ZINC000427614355 566783474 /nfs/dbraw/zinc/78/34/74/566783474.db2.gz HUINKESGYKNHCD-ZDUSSCGKSA-N -1 3 382.507 3.149 20 0 GGADHM COc1ccc(-c2nc(CS(=O)(=O)c3nc4c([n-]3)CCC4)cs2)cc1 ZINC000562344505 566783550 /nfs/dbraw/zinc/78/35/50/566783550.db2.gz NLJHNNJDZZTHRK-UHFFFAOYSA-N -1 3 375.475 3.004 20 0 GGADHM CC(C)OC(=O)Cc1nc(CSc2n[n-]c(-c3ccccn3)n2)cs1 ZINC000609750878 566783876 /nfs/dbraw/zinc/78/38/76/566783876.db2.gz LJKFZYVOPKUMNH-UHFFFAOYSA-N -1 3 375.479 3.110 20 0 GGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489345059 566784126 /nfs/dbraw/zinc/78/41/26/566784126.db2.gz BRZMRAJZSZPMFV-NEPJUHHUSA-N -1 3 378.947 3.107 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-]CC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000469352554 566784281 /nfs/dbraw/zinc/78/42/81/566784281.db2.gz YSMLPKQOAPIBOH-UHFFFAOYSA-N -1 3 393.818 3.102 20 0 GGADHM Cc1cc(Br)cc2cc(C(=O)[N-]c3nn4cnnc4s3)oc21 ZINC000678138731 566784649 /nfs/dbraw/zinc/78/46/49/566784649.db2.gz VFPTZVOJVZCOCE-UHFFFAOYSA-N -1 3 378.211 3.255 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)s1 ZINC000581522334 566784852 /nfs/dbraw/zinc/78/48/52/566784852.db2.gz RJINMCMPOGAPPJ-INIZCTEOSA-N -1 3 384.567 3.208 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)OC ZINC000469363339 566786024 /nfs/dbraw/zinc/78/60/24/566786024.db2.gz OFDPGIHVKFFKKM-KRWDZBQOSA-N -1 3 389.901 3.139 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCS2)cc1Cl ZINC000542239097 566786290 /nfs/dbraw/zinc/78/62/90/566786290.db2.gz YLRMHQGXYBJYGI-SNVBAGLBSA-N -1 3 380.894 3.002 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](OCC2CC2)C1 ZINC000562387450 566786423 /nfs/dbraw/zinc/78/64/23/566786423.db2.gz HVPRIDXZNRDHQS-AWEZNQCLSA-N -1 3 383.286 3.255 20 0 GGADHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000469387810 566786772 /nfs/dbraw/zinc/78/67/72/566786772.db2.gz DTVBWVSICMYPFJ-UONOGXRCSA-N -1 3 391.530 3.112 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000516851465 566787199 /nfs/dbraw/zinc/78/71/99/566787199.db2.gz LGGRRBJMITVYHS-CQSZACIVSA-N -1 3 390.216 3.232 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000516851465 566787206 /nfs/dbraw/zinc/78/72/06/566787206.db2.gz LGGRRBJMITVYHS-CQSZACIVSA-N -1 3 390.216 3.232 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000516851465 566787213 /nfs/dbraw/zinc/78/72/13/566787213.db2.gz LGGRRBJMITVYHS-CQSZACIVSA-N -1 3 390.216 3.232 20 0 GGADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000469387809 566787421 /nfs/dbraw/zinc/78/74/21/566787421.db2.gz DTVBWVSICMYPFJ-KGLIPLIRSA-N -1 3 391.530 3.112 20 0 GGADHM CC[C@@H](C(=O)[N-]c1cc(-c2ccc(Br)o2)no1)N1CCCC1=O ZINC000427682054 566787891 /nfs/dbraw/zinc/78/78/91/566787891.db2.gz ZHUMUQDQXLRLRG-JTQLQIEISA-N -1 3 382.214 3.037 20 0 GGADHM CC(C)(C)c1coc([N-]C(=O)c2cc(Cn3cc(Br)cn3)on2)n1 ZINC000516875878 566788869 /nfs/dbraw/zinc/78/88/69/566788869.db2.gz ZDAHCIMTGDSMMJ-UHFFFAOYSA-N -1 3 394.229 3.220 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451292357 566789733 /nfs/dbraw/zinc/78/97/33/566789733.db2.gz SZOCWFHAZQNUGN-OWWKKJFISA-N -1 3 383.510 3.337 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000581577052 566789819 /nfs/dbraw/zinc/78/98/19/566789819.db2.gz JUSPVSNPHXWGPE-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1CC ZINC000489501867 566791421 /nfs/dbraw/zinc/79/14/21/566791421.db2.gz XNWIJKRDKFXCOM-UHFFFAOYSA-N -1 3 386.926 3.443 20 0 GGADHM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000609871896 566791627 /nfs/dbraw/zinc/79/16/27/566791627.db2.gz QERMFWYGGVNPME-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM COCC1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CC1 ZINC000489482811 566792140 /nfs/dbraw/zinc/79/21/40/566792140.db2.gz XCFOOHPPKMTLOU-UHFFFAOYSA-N -1 3 384.661 3.280 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2Cl)s1 ZINC000609899132 566792678 /nfs/dbraw/zinc/79/26/78/566792678.db2.gz VVIVWHIVKRBRMV-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM CO[C@@H]1CCN(Cc2cc(Br)cc3cccnc32)[C@H](C(=O)[O-])C1 ZINC000516939062 566792835 /nfs/dbraw/zinc/79/28/35/566792835.db2.gz KQYIBMOEUQVODL-CABCVRRESA-N -1 3 379.254 3.061 20 0 GGADHM [O-]c1ccc(Br)c(CNCc2ccnc(N3CCSCC3)c2)c1 ZINC000631241589 566792949 /nfs/dbraw/zinc/79/29/49/566792949.db2.gz XEWBRZAXDKNCHT-UHFFFAOYSA-N -1 3 394.338 3.393 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000427759889 566794321 /nfs/dbraw/zinc/79/43/21/566794321.db2.gz BZCKUFGFIDYISW-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489558731 566795170 /nfs/dbraw/zinc/79/51/70/566795170.db2.gz ZSRHPUXXDHEBNY-LLVKDONJSA-N -1 3 387.395 3.047 20 0 GGADHM CCn1cc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])cn1 ZINC000469513214 566795420 /nfs/dbraw/zinc/79/54/20/566795420.db2.gz DKEHGAWTLTWEAY-UHFFFAOYSA-N -1 3 395.644 3.413 20 0 GGADHM O=C(NCc1ccc(OCCO)cc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427765033 566795669 /nfs/dbraw/zinc/79/56/69/566795669.db2.gz MDEQCAORJCLICA-UHFFFAOYSA-N -1 3 377.853 3.093 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCOC3)C2)c1Cl ZINC000678358979 566796380 /nfs/dbraw/zinc/79/63/80/566796380.db2.gz QEJYLEWUQSIJJK-WBMJQRKESA-N -1 3 394.320 3.227 20 0 GGADHM C[C@H](CNCc1cccc([O-])c1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000631270248 566796619 /nfs/dbraw/zinc/79/66/19/566796619.db2.gz OZXRZXIOUXMPKY-GFCCVEGCSA-N -1 3 398.322 3.452 20 0 GGADHM COCCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469521952 566796916 /nfs/dbraw/zinc/79/69/16/566796916.db2.gz LNIOXWVNDOITCS-UHFFFAOYSA-N -1 3 387.661 3.100 20 0 GGADHM COCCCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469521952 566796920 /nfs/dbraw/zinc/79/69/20/566796920.db2.gz LNIOXWVNDOITCS-UHFFFAOYSA-N -1 3 387.661 3.100 20 0 GGADHM CC(C)C([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(C)C ZINC000678355869 566797041 /nfs/dbraw/zinc/79/70/41/566797041.db2.gz SSMQNWYSDVCYSW-UHFFFAOYSA-N -1 3 388.599 3.412 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCOC3)C2)c1Cl ZINC000678358978 566797061 /nfs/dbraw/zinc/79/70/61/566797061.db2.gz QEJYLEWUQSIJJK-MLGOLLRUSA-N -1 3 394.320 3.227 20 0 GGADHM CC[C@@H](CNC(=O)Cc1cncc([O-])c1)Cc1cccc(Br)c1 ZINC000655391646 566798808 /nfs/dbraw/zinc/79/88/08/566798808.db2.gz BKXSPCTVOIFGCG-CYBMUJFWSA-N -1 3 377.282 3.477 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000610005808 566799261 /nfs/dbraw/zinc/79/92/61/566799261.db2.gz CSTWCGRFQIFGRA-CABCVRRESA-N -1 3 379.503 3.224 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427811027 566799844 /nfs/dbraw/zinc/79/98/44/566799844.db2.gz KJTVNZIJCXLJSM-HNNXBMFYSA-N -1 3 389.249 3.284 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427811028 566799986 /nfs/dbraw/zinc/79/99/86/566799986.db2.gz KJTVNZIJCXLJSM-OAHLLOKOSA-N -1 3 389.249 3.284 20 0 GGADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000655423154 566800152 /nfs/dbraw/zinc/80/01/52/566800152.db2.gz MJGBUJGRQGOCOF-XBFCOCLRSA-N -1 3 396.559 3.207 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cl)c(Br)cc1F ZINC000562547191 566800723 /nfs/dbraw/zinc/80/07/23/566800723.db2.gz DOTHMHRRHWFRAF-GFCCVEGCSA-N -1 3 388.624 3.490 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)c1F ZINC000655470878 566801231 /nfs/dbraw/zinc/80/12/31/566801231.db2.gz SGYWUURVMDHDDQ-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c(OC)cc1Br ZINC000581723566 566801831 /nfs/dbraw/zinc/80/18/31/566801831.db2.gz IVRDBYIYOMSRPO-VHSXEESVSA-N -1 3 396.278 3.025 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)c1ccccn1 ZINC000678485410 566802279 /nfs/dbraw/zinc/80/22/79/566802279.db2.gz DJWLHEFFIOGRJJ-LLVKDONJSA-N -1 3 390.328 3.429 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000678493591 566802546 /nfs/dbraw/zinc/80/25/46/566802546.db2.gz NNGHLAOFTZSFGX-UHFFFAOYSA-N -1 3 396.734 3.465 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)c1ccccn1 ZINC000678485411 566802568 /nfs/dbraw/zinc/80/25/68/566802568.db2.gz DJWLHEFFIOGRJJ-NSHDSACASA-N -1 3 390.328 3.429 20 0 GGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489680537 566802617 /nfs/dbraw/zinc/80/26/17/566802617.db2.gz SMTBMILUQVLLDT-CMPLNLGQSA-N -1 3 385.379 3.206 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489668121 566802795 /nfs/dbraw/zinc/80/27/95/566802795.db2.gz SDYCPTHBSMXAPS-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM O=C(NCc1ccoc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469619806 566803994 /nfs/dbraw/zinc/80/39/94/566803994.db2.gz ZGJKHMVIARMHEB-UHFFFAOYSA-N -1 3 381.613 3.467 20 0 GGADHM O=C(NCc1ccoc1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469619806 566803997 /nfs/dbraw/zinc/80/39/97/566803997.db2.gz ZGJKHMVIARMHEB-UHFFFAOYSA-N -1 3 381.613 3.467 20 0 GGADHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3cc(Br)cn3C)c(=O)c2c1 ZINC000542492490 566805438 /nfs/dbraw/zinc/80/54/38/566805438.db2.gz QRJAOTICSIIABJ-UHFFFAOYSA-N -1 3 388.265 3.210 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(C)C ZINC000542487134 566805454 /nfs/dbraw/zinc/80/54/54/566805454.db2.gz XMCKARAJCQYUOO-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM COc1ccccc1-c1nc(NC(=O)Cc2ccccc2Br)n[n-]1 ZINC000517101581 566806136 /nfs/dbraw/zinc/80/61/36/566806136.db2.gz ZCBRCOOHGMFLRP-UHFFFAOYSA-N -1 3 387.237 3.424 20 0 GGADHM CCCCN(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000489740800 566806666 /nfs/dbraw/zinc/80/66/66/566806666.db2.gz NAIIAKDTPPWJRV-UHFFFAOYSA-N -1 3 383.739 3.113 20 0 GGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000489739307 566807052 /nfs/dbraw/zinc/80/70/52/566807052.db2.gz KZQHAEOWUWLVCH-UHFFFAOYSA-N -1 3 384.885 3.401 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000489743829 566807083 /nfs/dbraw/zinc/80/70/83/566807083.db2.gz UDSMMYCBWCJAJY-QGZVFWFLSA-N -1 3 382.913 3.238 20 0 GGADHM CCCCN(C)CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000489740141 566807250 /nfs/dbraw/zinc/80/72/50/566807250.db2.gz WJKIRRFSVIDVAV-UHFFFAOYSA-N -1 3 383.739 3.113 20 0 GGADHM O=C(NCc1ccc[nH]1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469706669 566807711 /nfs/dbraw/zinc/80/77/11/566807711.db2.gz VSVJYQNXMIJEOZ-UHFFFAOYSA-N -1 3 380.629 3.202 20 0 GGADHM O=C(NCc1ccc[nH]1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469706669 566807716 /nfs/dbraw/zinc/80/77/16/566807716.db2.gz VSVJYQNXMIJEOZ-UHFFFAOYSA-N -1 3 380.629 3.202 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1Cl ZINC000517124435 566808276 /nfs/dbraw/zinc/80/82/76/566808276.db2.gz BLNUTNPIVFWLNC-UHFFFAOYSA-N -1 3 385.869 3.483 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC(F)F)c1F ZINC000655533491 566809732 /nfs/dbraw/zinc/80/97/32/566809732.db2.gz CMXFZMACVBGQDC-UHFFFAOYSA-N -1 3 375.368 3.223 20 0 GGADHM CC[C@H](COC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469717232 566809924 /nfs/dbraw/zinc/80/99/24/566809924.db2.gz KDEUBNRPOACQLV-SECBINFHSA-N -1 3 387.661 3.099 20 0 GGADHM CC[C@H](COC)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469717232 566809925 /nfs/dbraw/zinc/80/99/25/566809925.db2.gz KDEUBNRPOACQLV-SECBINFHSA-N -1 3 387.661 3.099 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000581856648 566810236 /nfs/dbraw/zinc/81/02/36/566810236.db2.gz HMBOPQZWBNBWMD-UHFFFAOYSA-N -1 3 397.287 3.153 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1cc(F)ccc1F ZINC000610136037 566810425 /nfs/dbraw/zinc/81/04/25/566810425.db2.gz HRRGNTWMNVZQKO-CYBMUJFWSA-N -1 3 375.418 3.243 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CSc3ccc(Br)cc32)s1 ZINC000581859930 566810600 /nfs/dbraw/zinc/81/06/00/566810600.db2.gz ATBKESIZJYNFME-SNVBAGLBSA-N -1 3 391.337 3.339 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccncc1OCCC(C)(C)C ZINC000517198280 566811101 /nfs/dbraw/zinc/81/11/01/566811101.db2.gz UWKDLZLWXREKGS-UHFFFAOYSA-N -1 3 384.523 3.445 20 0 GGADHM COc1c(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)c(C)nn1C ZINC000451396281 566811280 /nfs/dbraw/zinc/81/12/80/566811280.db2.gz YFEQMWYUDNAPNB-UHFFFAOYSA-N -1 3 385.898 3.084 20 0 GGADHM COC(=O)c1sc2[n-]c(CNC(C)(C)c3cccs3)nc(=O)c2c1C ZINC000542575234 566811982 /nfs/dbraw/zinc/81/19/82/566811982.db2.gz ZABDSSVWVZEJCA-UHFFFAOYSA-N -1 3 377.491 3.166 20 0 GGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000489832789 566812657 /nfs/dbraw/zinc/81/26/57/566812657.db2.gz PCUHTDZZFIZIHK-JTQLQIEISA-N -1 3 381.828 3.230 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000581895709 566813547 /nfs/dbraw/zinc/81/35/47/566813547.db2.gz NKNCZLMMXJAGBI-NEPJUHHUSA-N -1 3 391.320 3.205 20 0 GGADHM O=C1NCCCN(Cc2cccc([O-])c2Br)[C@H]1Cc1ccccc1 ZINC000562687228 566813621 /nfs/dbraw/zinc/81/36/21/566813621.db2.gz DIRJYMFMHPALSH-INIZCTEOSA-N -1 3 389.293 3.088 20 0 GGADHM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC000678716686 566814184 /nfs/dbraw/zinc/81/41/84/566814184.db2.gz XUSLMLYQEGHJMI-UHFFFAOYSA-N -1 3 381.813 3.142 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2cnn(-c3ccccc3Br)c2)[n-]1 ZINC000489905743 566815510 /nfs/dbraw/zinc/81/55/10/566815510.db2.gz NJIFSJYIACFMBQ-UHFFFAOYSA-N -1 3 389.209 3.002 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)c1F ZINC000655575519 566816335 /nfs/dbraw/zinc/81/63/35/566816335.db2.gz JJWPDCKOISQLEO-SSDOTTSWSA-N -1 3 384.376 3.349 20 0 GGADHM O=C([O-])CCC1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000581948934 566816580 /nfs/dbraw/zinc/81/65/80/566816580.db2.gz HUCBVQTVGAZXBT-AWEZNQCLSA-N -1 3 376.280 3.310 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000610231283 566816958 /nfs/dbraw/zinc/81/69/58/566816958.db2.gz JXMXSJVLWAEJTB-VIFPVBQESA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000610231283 566816967 /nfs/dbraw/zinc/81/69/67/566816967.db2.gz JXMXSJVLWAEJTB-VIFPVBQESA-N -1 3 396.241 3.063 20 0 GGADHM CC[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC(=O)N1 ZINC000542654666 566817008 /nfs/dbraw/zinc/81/70/08/566817008.db2.gz GRLCBCYQNAAYIE-MFKMUULPSA-N -1 3 381.263 3.049 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC(=O)N1 ZINC000542654664 566817422 /nfs/dbraw/zinc/81/74/22/566817422.db2.gz GRLCBCYQNAAYIE-GXFFZTMASA-N -1 3 381.263 3.049 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-]CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000451426677 566817945 /nfs/dbraw/zinc/81/79/45/566817945.db2.gz BUCCYMCKWMCDHZ-UHFFFAOYSA-N -1 3 380.535 3.094 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C2CC2)c1 ZINC000562747026 566818570 /nfs/dbraw/zinc/81/85/70/566818570.db2.gz AWVOGBVRDJAJHJ-LLVKDONJSA-N -1 3 398.937 3.435 20 0 GGADHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000542691132 566818659 /nfs/dbraw/zinc/81/86/59/566818659.db2.gz RDTUYFLLNUUBJC-UHFFFAOYSA-N -1 3 381.295 3.243 20 0 GGADHM COC[C@H](C[N-]S(=O)(=O)c1cccc(OC)c1F)c1ccc(Cl)cc1 ZINC000655602439 566819489 /nfs/dbraw/zinc/81/94/89/566819489.db2.gz CJACYQDPSCZBJE-ZDUSSCGKSA-N -1 3 387.860 3.196 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(F)cc1Br ZINC000581982407 566819574 /nfs/dbraw/zinc/81/95/74/566819574.db2.gz OPPRVWDBSPGKMI-UHFFFAOYSA-N -1 3 399.285 3.341 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1ccccn1 ZINC000610263053 566820129 /nfs/dbraw/zinc/82/01/29/566820129.db2.gz MLXOUUGWGGUPRU-MRXNPFEDSA-N -1 3 382.869 3.341 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N1CC2(CC2)C1 ZINC000562771243 566820303 /nfs/dbraw/zinc/82/03/03/566820303.db2.gz MZQKJSXLEPKQTR-UHFFFAOYSA-N -1 3 376.865 3.377 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1CCCN2)c1cc(F)ccc1Br ZINC000489980845 566820796 /nfs/dbraw/zinc/82/07/96/566820796.db2.gz SNBVQXFBOKHVDO-UHFFFAOYSA-N -1 3 399.285 3.425 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCCC1 ZINC000517348291 566820992 /nfs/dbraw/zinc/82/09/92/566820992.db2.gz GLZHECLWTLDYFN-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM O=S(=O)([N-]CCc1ccc(CO)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000678841380 566821046 /nfs/dbraw/zinc/82/10/46/566821046.db2.gz VEEVZRJCSAHKQI-UHFFFAOYSA-N -1 3 393.814 3.372 20 0 GGADHM C[C@H](CN1CCCCC1)NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000542730186 566821256 /nfs/dbraw/zinc/82/12/56/566821256.db2.gz TXHLHZSEPPQQML-GFCCVEGCSA-N -1 3 379.917 3.276 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C ZINC000562781078 566821419 /nfs/dbraw/zinc/82/14/19/566821419.db2.gz MKPAPIGHGOYUNJ-OAHLLOKOSA-N -1 3 379.865 3.401 20 0 GGADHM CN(C)CCOc1cccc(CNC(=O)c2cccc(Br)c2[O-])c1 ZINC000517373459 566822261 /nfs/dbraw/zinc/82/22/61/566822261.db2.gz PJYBJILXTNAOBL-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000490004711 566822968 /nfs/dbraw/zinc/82/29/68/566822968.db2.gz WTMZHQBQGOSEOY-UHFFFAOYSA-N -1 3 375.418 3.012 20 0 GGADHM COc1ccc(Br)cc1C[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000562791669 566823021 /nfs/dbraw/zinc/82/30/21/566823021.db2.gz GELXZCDWPSUMKL-HSZRJFAPSA-N -1 3 397.294 3.280 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2ccccc2C)c1 ZINC000469876374 566823221 /nfs/dbraw/zinc/82/32/21/566823221.db2.gz UEVYYDCWSJXIJD-UHFFFAOYSA-N -1 3 384.295 3.287 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1C ZINC000542754378 566823568 /nfs/dbraw/zinc/82/35/68/566823568.db2.gz VXDBZVPDXVCRFP-AWEZNQCLSA-N -1 3 383.432 3.276 20 0 GGADHM Cc1nn(C)c2c1N(C(=O)c1cc3cc(Br)sc3[n-]1)CCO2 ZINC000631765297 566823783 /nfs/dbraw/zinc/82/37/83/566823783.db2.gz HTRVEQGBESNLGS-UHFFFAOYSA-N -1 3 381.255 3.073 20 0 GGADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)[C@H]1CC1(C)C ZINC000428193354 566824126 /nfs/dbraw/zinc/82/41/26/566824126.db2.gz FWXLRCNEJKEDRF-ZDUSSCGKSA-N -1 3 396.228 3.003 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000542757324 566824316 /nfs/dbraw/zinc/82/43/16/566824316.db2.gz HOOWUVCHXZHPBA-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCCC(F)(F)C1)c1cncc(Br)c1 ZINC000490012627 566824387 /nfs/dbraw/zinc/82/43/87/566824387.db2.gz BMYPZRGJHVUTLJ-SNVBAGLBSA-N -1 3 383.258 3.338 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000490011014 566824756 /nfs/dbraw/zinc/82/47/56/566824756.db2.gz JHQNHNOTMLTRBW-LLVKDONJSA-N -1 3 381.466 3.337 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCC1CCC(OC)CC1 ZINC000542761051 566825120 /nfs/dbraw/zinc/82/51/20/566825120.db2.gz SFPOIGQNIIRROL-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ncc(C)cc1C ZINC000655634620 566824973 /nfs/dbraw/zinc/82/49/73/566824973.db2.gz YIQFFJXCWFILHY-UHFFFAOYSA-N -1 3 389.340 3.352 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc2n[n-]nc2c1 ZINC000428211112 566825873 /nfs/dbraw/zinc/82/58/73/566825873.db2.gz UBJODEZGZBDWQY-CYBMUJFWSA-N -1 3 375.251 3.297 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ncc(C)cc2C)sc1Br ZINC000655634991 566826014 /nfs/dbraw/zinc/82/60/14/566826014.db2.gz DYTBDHGDKVTVQN-UHFFFAOYSA-N -1 3 389.340 3.352 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000542759927 566826100 /nfs/dbraw/zinc/82/61/00/566826100.db2.gz HDKZXKVMFIQBAH-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)Cc3ccccn3)s2)cs1 ZINC000655651153 566826842 /nfs/dbraw/zinc/82/68/42/566826842.db2.gz LFNMJLOAQAUAHR-NSHDSACASA-N -1 3 379.532 3.485 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)s1 ZINC000562832412 566826979 /nfs/dbraw/zinc/82/69/79/566826979.db2.gz DXRQADJHEWFFDU-NSHDSACASA-N -1 3 375.475 3.294 20 0 GGADHM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000655652603 566827609 /nfs/dbraw/zinc/82/76/09/566827609.db2.gz FKQCJVHABHLMRJ-JTQLQIEISA-N -1 3 376.812 3.246 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)c(F)cc1Br ZINC000655653125 566827684 /nfs/dbraw/zinc/82/76/84/566827684.db2.gz LXHRGWWIPPXUNY-LLVKDONJSA-N -1 3 387.274 3.201 20 0 GGADHM CC(C)C[C@@H]([N-]S(=O)(=O)CCCC(C)(C)C)C(=O)Nc1nccs1 ZINC000517438974 566827915 /nfs/dbraw/zinc/82/79/15/566827915.db2.gz NYKLRWVVUZECJL-CYBMUJFWSA-N -1 3 375.560 3.242 20 0 GGADHM Cc1ccc(C[C@H](CO)NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc1 ZINC000469931950 566828129 /nfs/dbraw/zinc/82/81/29/566828129.db2.gz AVUDLUMFQKSAEX-CYBMUJFWSA-N -1 3 375.881 3.433 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000610388294 566828194 /nfs/dbraw/zinc/82/81/94/566828194.db2.gz VNKCSXRSRIWWFU-ZETCQYMHSA-N -1 3 386.271 3.461 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000610388294 566828198 /nfs/dbraw/zinc/82/81/98/566828198.db2.gz VNKCSXRSRIWWFU-ZETCQYMHSA-N -1 3 386.271 3.461 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000451498294 566828422 /nfs/dbraw/zinc/82/84/22/566828422.db2.gz XFJGTFKNFQUNFE-GWCFXTLKSA-N -1 3 385.835 3.257 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000451498297 566828806 /nfs/dbraw/zinc/82/88/06/566828806.db2.gz XFJGTFKNFQUNFE-ZWNOBZJWSA-N -1 3 385.835 3.257 20 0 GGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000451502189 566829197 /nfs/dbraw/zinc/82/91/97/566829197.db2.gz PZVWQUNFEDGGRH-SKDRFNHKSA-N -1 3 388.263 3.382 20 0 GGADHM O=S(=O)([N-]CC1CCN(Cc2cccs2)CC1)c1ccc(C(F)F)o1 ZINC000631844718 566829911 /nfs/dbraw/zinc/82/99/11/566829911.db2.gz ZVMNWLZFWUWMGX-UHFFFAOYSA-N -1 3 390.477 3.469 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1(CO)CCC1 ZINC000490088702 566830733 /nfs/dbraw/zinc/83/07/33/566830733.db2.gz ITDMZKUWMSHWNL-AWEZNQCLSA-N -1 3 394.306 3.054 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC1CCC2(CCCCC2)CC1 ZINC000469950823 566830869 /nfs/dbraw/zinc/83/08/69/566830869.db2.gz RBJWJHOMKICJJF-UHFFFAOYSA-N -1 3 384.567 3.426 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCCO1 ZINC000679012471 566831082 /nfs/dbraw/zinc/83/10/82/566831082.db2.gz SJEKOCXQRHPUCS-NOZJJQNGSA-N -1 3 382.707 3.338 20 0 GGADHM COc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(Br)c1 ZINC000562892622 566831358 /nfs/dbraw/zinc/83/13/58/566831358.db2.gz NNDAZPCEONGOQO-UHFFFAOYSA-N -1 3 383.267 3.142 20 0 GGADHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000562905610 566831720 /nfs/dbraw/zinc/83/17/20/566831720.db2.gz SWWUWFISSIZJOI-SNVBAGLBSA-N -1 3 383.377 3.218 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1C(F)(F)F ZINC000655669797 566833424 /nfs/dbraw/zinc/83/34/24/566833424.db2.gz RQSTVUICKMMMEN-UONOGXRCSA-N -1 3 380.407 3.140 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428362542 566833776 /nfs/dbraw/zinc/83/37/76/566833776.db2.gz IZAGNIOCBBFJID-LLVKDONJSA-N -1 3 398.750 3.426 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)c(Cl)c1Cl ZINC000655669224 566833537 /nfs/dbraw/zinc/83/35/37/566833537.db2.gz NAEZECZUVFZITA-NEPJUHHUSA-N -1 3 393.336 3.297 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)o1 ZINC000582157773 566834465 /nfs/dbraw/zinc/83/44/65/566834465.db2.gz XNRPQNPCSVCGCV-JTQLQIEISA-N -1 3 384.885 3.391 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)cc(Cl)c1 ZINC000428380196 566836568 /nfs/dbraw/zinc/83/65/68/566836568.db2.gz BTSPVWXCCGHRHU-IAGOWNOFSA-N -1 3 387.835 3.063 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cscc2Br)s1 ZINC000631926634 566836861 /nfs/dbraw/zinc/83/68/61/566836861.db2.gz DQCXILQILVRGBW-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1 ZINC000490211814 566837239 /nfs/dbraw/zinc/83/72/39/566837239.db2.gz USJRTFSNZMAUOI-UHFFFAOYSA-N -1 3 384.841 3.327 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)cc1Cl ZINC000451553637 566837455 /nfs/dbraw/zinc/83/74/55/566837455.db2.gz YGCAUFWZDRIKSV-ZDUSSCGKSA-N -1 3 378.281 3.401 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1F ZINC000428392256 566838181 /nfs/dbraw/zinc/83/81/81/566838181.db2.gz YSXQXQZPDIUHPJ-DYVFJYSZSA-N -1 3 387.835 3.063 20 0 GGADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1OC ZINC000631968252 566838386 /nfs/dbraw/zinc/83/83/86/566838386.db2.gz BZFXGIOPZIQFGB-MRVPVSSYSA-N -1 3 379.356 3.413 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)OCCc2sccc21 ZINC000451564062 566839227 /nfs/dbraw/zinc/83/92/27/566839227.db2.gz FPOPBXITUQDAMF-INIZCTEOSA-N -1 3 389.901 3.448 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@@H](CCO)c2ccccc2Br)c1 ZINC000542919439 566839651 /nfs/dbraw/zinc/83/96/51/566839651.db2.gz JMPZNDNVBVSLFJ-HNNXBMFYSA-N -1 3 380.238 3.017 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1Cl ZINC000428398785 566839851 /nfs/dbraw/zinc/83/98/51/566839851.db2.gz IRDVGLNOUFTANW-PBHICJAKSA-N -1 3 387.835 3.063 20 0 GGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cscc1Br ZINC000631995743 566840182 /nfs/dbraw/zinc/84/01/82/566840182.db2.gz NAIMVUKPOBLHOU-ZETCQYMHSA-N -1 3 379.301 3.025 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)ccc3cccnc32)cs1 ZINC000679195394 566840157 /nfs/dbraw/zinc/84/01/57/566840157.db2.gz LVUVHKIBPFANJN-GFCCVEGCSA-N -1 3 377.491 3.186 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2c(C)cc(C)cc2C)nc1C ZINC000610549746 566841459 /nfs/dbraw/zinc/84/14/59/566841459.db2.gz KYHNCMFKGPSMOL-UHFFFAOYSA-N -1 3 382.507 3.032 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000517707403 566841974 /nfs/dbraw/zinc/84/19/74/566841974.db2.gz PCHDVTLGNATPPV-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000451573118 566842038 /nfs/dbraw/zinc/84/20/38/566842038.db2.gz YJIGFSFZDORHPH-ZDUSSCGKSA-N -1 3 395.424 3.205 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)c1ccc(C)cc1C ZINC000490295176 566842382 /nfs/dbraw/zinc/84/23/82/566842382.db2.gz AEPXMCXCBCFYRV-UHFFFAOYSA-N -1 3 381.519 3.408 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428423958 566842982 /nfs/dbraw/zinc/84/29/82/566842982.db2.gz WHDAXMWZWNMUFZ-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM [O-]c1ccc(CNC[C@@H](O)COc2ccccc2Cl)cc1Br ZINC000562997763 566843173 /nfs/dbraw/zinc/84/31/73/566843173.db2.gz WPCJZTWCQRTIOZ-GFCCVEGCSA-N -1 3 386.673 3.338 20 0 GGADHM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1=O ZINC000490331982 566843857 /nfs/dbraw/zinc/84/38/57/566843857.db2.gz LFBAOWHEZHTDLH-UHFFFAOYSA-N -1 3 397.283 3.324 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(SCC)c1 ZINC000451576446 566843804 /nfs/dbraw/zinc/84/38/04/566843804.db2.gz WKFBUGSFYRFKPC-CYBMUJFWSA-N -1 3 399.456 3.102 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)OCCc2sccc21 ZINC000451575134 566843826 /nfs/dbraw/zinc/84/38/26/566843826.db2.gz XCPXSSJAESZLKU-WFASDCNBSA-N -1 3 379.494 3.281 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc3ccccc3c2F)s1 ZINC000451573515 566844084 /nfs/dbraw/zinc/84/40/84/566844084.db2.gz JKWRXYIEHQIQBI-UHFFFAOYSA-N -1 3 379.482 3.475 20 0 GGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)o1 ZINC000610590459 566845623 /nfs/dbraw/zinc/84/56/23/566845623.db2.gz DYOHQXLOTDSHOX-UHFFFAOYSA-N -1 3 378.233 3.242 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H]2c3cccc(Br)c3CC2(C)C)cn1C ZINC000490421707 566848749 /nfs/dbraw/zinc/84/87/49/566848749.db2.gz ZEKNHEVRMOAUIU-OAHLLOKOSA-N -1 3 398.326 3.093 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543070899 566848751 /nfs/dbraw/zinc/84/87/51/566848751.db2.gz LCUDAMHQHTUVQD-NSHDSACASA-N -1 3 398.750 3.426 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543070064 566848861 /nfs/dbraw/zinc/84/88/61/566848861.db2.gz WTWUQRJAJNEDMU-GXSJLCMTSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543070071 566849084 /nfs/dbraw/zinc/84/90/84/566849084.db2.gz WTWUQRJAJNEDMU-ONGXEEELSA-N -1 3 384.723 3.178 20 0 GGADHM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]CCCC(C)(F)F)cn1 ZINC000451609165 566850348 /nfs/dbraw/zinc/85/03/48/566850348.db2.gz PFXNDLXOEYZMGU-UHFFFAOYSA-N -1 3 393.843 3.248 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000632099775 566850454 /nfs/dbraw/zinc/85/04/54/566850454.db2.gz OBHSSVGFUJLDPB-GFCCVEGCSA-N -1 3 387.477 3.450 20 0 GGADHM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000451613129 566850499 /nfs/dbraw/zinc/85/04/99/566850499.db2.gz MQEHZENKPBCCJI-LLVKDONJSA-N -1 3 383.844 3.079 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ncc(Br)s2)CC1 ZINC000543093068 566850960 /nfs/dbraw/zinc/85/09/60/566850960.db2.gz LQTKKPBDDYDOLG-UHFFFAOYSA-N -1 3 396.310 3.462 20 0 GGADHM COCc1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000543102895 566852390 /nfs/dbraw/zinc/85/23/90/566852390.db2.gz DYQRPPNKPNIPRV-UHFFFAOYSA-N -1 3 388.258 3.213 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H]2CCC[C@@H]21 ZINC000428535956 566852649 /nfs/dbraw/zinc/85/26/49/566852649.db2.gz ICMBAGXMABCYAI-FZMZJTMJSA-N -1 3 391.320 3.063 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(Br)c1 ZINC000582334992 566852872 /nfs/dbraw/zinc/85/28/72/566852872.db2.gz HUDDTTWXEFSQSF-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM COc1ccc(CNC2CCN(C(=O)C(C)(C)C)CC2)c(Br)c1[O-] ZINC000655842748 566853258 /nfs/dbraw/zinc/85/32/58/566853258.db2.gz MDMGGOBSNSZYKW-UHFFFAOYSA-N -1 3 399.329 3.290 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1csnc1-c1ccccc1 ZINC000632122158 566853440 /nfs/dbraw/zinc/85/34/40/566853440.db2.gz NCTPVPLFMMUNRS-PBHICJAKSA-N -1 3 396.559 3.143 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)s1 ZINC000490459547 566853588 /nfs/dbraw/zinc/85/35/88/566853588.db2.gz SCANHSWUFBUJBD-UHFFFAOYSA-N -1 3 397.419 3.340 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CC2=CCCCC2)s1 ZINC000451628933 566854074 /nfs/dbraw/zinc/85/40/74/566854074.db2.gz BVUPOJICMCBWFB-UHFFFAOYSA-N -1 3 384.567 3.232 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)cc1OC ZINC000451641502 566854587 /nfs/dbraw/zinc/85/45/87/566854587.db2.gz NOWZQYBXMPYUDV-SNVBAGLBSA-N -1 3 383.844 3.461 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1nnc(C(C)C)s1 ZINC000490472127 566855479 /nfs/dbraw/zinc/85/54/79/566855479.db2.gz RECYUIZCBCVSSB-UHFFFAOYSA-N -1 3 383.470 3.376 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cscc2Br)CCO1 ZINC000632161125 566856216 /nfs/dbraw/zinc/85/62/16/566856216.db2.gz RXFKQGFMQFMWPG-CABZTGNLSA-N -1 3 382.345 3.383 20 0 GGADHM Brc1ccc2cc(OCCN=c3ncnc4[nH][n-]cc3-4)ccc2c1 ZINC000517953221 566856464 /nfs/dbraw/zinc/85/64/64/566856464.db2.gz MSRPTULMXSLSBD-UHFFFAOYSA-N -1 3 384.237 3.133 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cscc2Br)CCO1 ZINC000632161126 566856670 /nfs/dbraw/zinc/85/66/70/566856670.db2.gz RXFKQGFMQFMWPG-JOYOIKCWSA-N -1 3 382.345 3.383 20 0 GGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000582390616 566857125 /nfs/dbraw/zinc/85/71/25/566857125.db2.gz QMIDWLGFDHNVQS-CQSZACIVSA-N -1 3 390.958 3.204 20 0 GGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000451654589 566857342 /nfs/dbraw/zinc/85/73/42/566857342.db2.gz OZYMFGRQEGZFMC-SECBINFHSA-N -1 3 379.322 3.341 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccccc1Cl ZINC000679468455 566858468 /nfs/dbraw/zinc/85/84/68/566858468.db2.gz IFIDTULZLYUCQU-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccccc1Br ZINC000470236190 566858824 /nfs/dbraw/zinc/85/88/24/566858824.db2.gz DGLGMLNBJHTOSV-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)sc1Br ZINC000451664294 566858996 /nfs/dbraw/zinc/85/89/96/566858996.db2.gz OIIKAJJVZLJJBB-UHFFFAOYSA-N -1 3 397.266 3.279 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(C)c(F)c2)sc1Br ZINC000451660054 566859209 /nfs/dbraw/zinc/85/92/09/566859209.db2.gz DWGVVZSWNYRCQY-UHFFFAOYSA-N -1 3 393.303 3.281 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc(Br)c2)o1 ZINC000490508949 566859476 /nfs/dbraw/zinc/85/94/76/566859476.db2.gz GBZXZIMNPWTJKK-UHFFFAOYSA-N -1 3 387.299 3.485 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000490518323 566860067 /nfs/dbraw/zinc/86/00/67/566860067.db2.gz AAKHRHRNESPFFV-QLJPJBMISA-N -1 3 387.910 3.391 20 0 GGADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000543169538 566860057 /nfs/dbraw/zinc/86/00/57/566860057.db2.gz RBBPPCRABXJUFJ-SNVBAGLBSA-N -1 3 394.312 3.030 20 0 GGADHM CCOC(=O)[C@H](CC)N(Cc1ccc(OC)c([O-])c1Br)C1CC1 ZINC000470262378 566860190 /nfs/dbraw/zinc/86/01/90/566860190.db2.gz DZJSWFFTGIWDNL-ZDUSSCGKSA-N -1 3 386.286 3.469 20 0 GGADHM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1cccc(Br)c1 ZINC000470259288 566860420 /nfs/dbraw/zinc/86/04/20/566860420.db2.gz XCPWCBJHSDFHLF-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1cccc(Br)c1 ZINC000470241828 566860527 /nfs/dbraw/zinc/86/05/27/566860527.db2.gz CMMJCSZFLWDRCJ-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000451667699 566860910 /nfs/dbraw/zinc/86/09/10/566860910.db2.gz XZQBYXLYVWHBSZ-LBPRGKRZSA-N -1 3 390.324 3.047 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)c(Br)c2)o1 ZINC000490530921 566861312 /nfs/dbraw/zinc/86/13/12/566861312.db2.gz IGMKPKGDKSNWHR-UHFFFAOYSA-N -1 3 387.299 3.485 20 0 GGADHM CC(C)c1noc(-c2ccccc2C(=O)N=c2[n-]n(C)cc2Br)n1 ZINC000563173656 566861537 /nfs/dbraw/zinc/86/15/37/566861537.db2.gz BPHPWIOYUNYQAK-UHFFFAOYSA-N -1 3 390.241 3.030 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cscc2Br)n1 ZINC000632206269 566861433 /nfs/dbraw/zinc/86/14/33/566861433.db2.gz GIEOMXXAZQTQQJ-ZETCQYMHSA-N -1 3 381.342 3.358 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@@H]1OCCc2sccc21 ZINC000490526683 566861453 /nfs/dbraw/zinc/86/14/53/566861453.db2.gz GVLBELBCXOZYQI-AYVTZFPOSA-N -1 3 377.409 3.146 20 0 GGADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cscc1Br ZINC000632201213 566862163 /nfs/dbraw/zinc/86/21/63/566862163.db2.gz LPSVWLJOVIDITN-SNVBAGLBSA-N -1 3 394.312 3.030 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cscc2Br)s1 ZINC000632208429 566862260 /nfs/dbraw/zinc/86/22/60/566862260.db2.gz BMUDLKDCFKJCBI-SSDOTTSWSA-N -1 3 381.342 3.358 20 0 GGADHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)OC ZINC000451675909 566862360 /nfs/dbraw/zinc/86/23/60/566862360.db2.gz CZLZHBPAFQSHKM-YPMHNXCESA-N -1 3 385.507 3.027 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)CCC3)sc1Br ZINC000451683269 566862467 /nfs/dbraw/zinc/86/24/67/566862467.db2.gz UNDBFWOFAOQGGK-UHFFFAOYSA-N -1 3 387.324 3.181 20 0 GGADHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)OC ZINC000451683529 566862481 /nfs/dbraw/zinc/86/24/81/566862481.db2.gz UVMCLDVVLTYTLU-HEHGZKQESA-N -1 3 393.933 3.093 20 0 GGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 ZINC000451685672 566862623 /nfs/dbraw/zinc/86/26/23/566862623.db2.gz XUWBSMNJRRVXLJ-UHFFFAOYSA-N -1 3 382.795 3.079 20 0 GGADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000563177867 566863375 /nfs/dbraw/zinc/86/33/75/566863375.db2.gz VNYGKARIMGKVFR-LLVKDONJSA-N -1 3 380.286 3.308 20 0 GGADHM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451687682 566864105 /nfs/dbraw/zinc/86/41/05/566864105.db2.gz TUARHFMNXMWILS-UHFFFAOYSA-N -1 3 375.918 3.206 20 0 GGADHM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc([O-])ccc2Br)C1 ZINC000679584272 566864410 /nfs/dbraw/zinc/86/44/10/566864410.db2.gz XLABOUHZJZFLAK-OAHLLOKOSA-N -1 3 375.266 3.222 20 0 GGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000679578941 566864678 /nfs/dbraw/zinc/86/46/78/566864678.db2.gz AGOILSPBIVUNCJ-KOLCDFICSA-N -1 3 382.379 3.000 20 0 GGADHM COc1ccc([C@H]([N-]S(=O)(=O)C2COC2)c2ccccc2Cl)c(C)c1 ZINC000582462452 566864718 /nfs/dbraw/zinc/86/47/18/566864718.db2.gz BBTVNMXHDKOEKG-SFHVURJKSA-N -1 3 381.881 3.065 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)[C@H]1OCCc2sccc21 ZINC000490553937 566864670 /nfs/dbraw/zinc/86/46/70/566864670.db2.gz DISUQAKKURHOBN-MGPLVRAMSA-N -1 3 387.910 3.391 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)OC ZINC000490575377 566866628 /nfs/dbraw/zinc/86/66/28/566866628.db2.gz ARYWYDWXFSDFPK-CYBMUJFWSA-N -1 3 393.933 3.237 20 0 GGADHM COC1CCN(C2(C[N-]S(=O)(=O)c3ccc(Cl)s3)CCCC2)CC1 ZINC000518090479 566867091 /nfs/dbraw/zinc/86/70/91/566867091.db2.gz RSNBGXHYQZHEFA-UHFFFAOYSA-N -1 3 392.974 3.103 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cscc2Br)n[nH]1 ZINC000632273667 566868152 /nfs/dbraw/zinc/86/81/52/566868152.db2.gz WKENQOXKKCLORA-YUMQZZPRSA-N -1 3 393.332 3.182 20 0 GGADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)O1 ZINC000582499335 566868479 /nfs/dbraw/zinc/86/84/79/566868479.db2.gz RBZSTYWTFLVDHT-GHMZBOCLSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)[C@H](CNCc1c(Br)cncc1Br)C(=O)[O-] ZINC000656095409 566869882 /nfs/dbraw/zinc/86/98/82/566869882.db2.gz CTEBYTQCEHKQFM-QMMMGPOBSA-N -1 3 380.080 3.053 20 0 GGADHM O=S(=O)([N-]CCNCc1c(Cl)ccc2cccnc21)c1cccs1 ZINC000679718860 566869993 /nfs/dbraw/zinc/86/99/93/566869993.db2.gz DNRYGNZAOYEXRP-UHFFFAOYSA-N -1 3 381.910 3.018 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1cccc(C(F)(F)F)c1)c1cncc(Cl)c1 ZINC000451729127 566870647 /nfs/dbraw/zinc/87/06/47/566870647.db2.gz JGONMXINTBAZDX-CQSZACIVSA-N -1 3 394.802 3.156 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCSC1 ZINC000582522235 566871133 /nfs/dbraw/zinc/87/11/33/566871133.db2.gz ZIWFJNOHCBTOLH-SECBINFHSA-N -1 3 382.429 3.159 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1cncc(F)c1 ZINC000679759822 566871099 /nfs/dbraw/zinc/87/10/99/566871099.db2.gz IBSBEFJKSOWPQB-VIFPVBQESA-N -1 3 389.246 3.031 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CCO)c2cccc(C(F)(F)F)c2)s1 ZINC000451728377 566871275 /nfs/dbraw/zinc/87/12/75/566871275.db2.gz GBOSMSQJTVLDLA-LBPRGKRZSA-N -1 3 394.440 3.126 20 0 GGADHM CC[C@]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)(C(N)=O)C(C)C ZINC000679761527 566871402 /nfs/dbraw/zinc/87/14/02/566871402.db2.gz WDCRQZCLJGSIAE-OAHLLOKOSA-N -1 3 381.325 3.179 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000518211837 566871979 /nfs/dbraw/zinc/87/19/79/566871979.db2.gz FZGQATOZRFBIBK-ZDUSSCGKSA-N -1 3 376.309 3.335 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(Cl)c(Cl)cc2OC)s1 ZINC000610894567 566872449 /nfs/dbraw/zinc/87/24/49/566872449.db2.gz SGHMZUQZPJFOEL-UHFFFAOYSA-N -1 3 376.221 3.283 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(C)sc2Br)s1 ZINC000610895012 566873008 /nfs/dbraw/zinc/87/30/08/566873008.db2.gz KZJKZYDTBAVMQL-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CC(F)C1 ZINC000543361823 566874221 /nfs/dbraw/zinc/87/42/21/566874221.db2.gz WJPCBQOCTXEZCS-UHFFFAOYSA-N -1 3 386.807 3.074 20 0 GGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000632330539 566875410 /nfs/dbraw/zinc/87/54/10/566875410.db2.gz RFWDOEFBVMUSIW-NWDGAFQWSA-N -1 3 392.424 3.482 20 0 GGADHM COc1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c(Br)c1[O-] ZINC000563340551 566876614 /nfs/dbraw/zinc/87/66/14/566876614.db2.gz SEMLDWFXTNGLDD-GFCCVEGCSA-N -1 3 386.286 3.469 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCO[C@@H]1C1CC1 ZINC000543394582 566876712 /nfs/dbraw/zinc/87/67/12/566876712.db2.gz WGESLAGRTKMEDK-HUUCEWRRSA-N -1 3 392.290 3.072 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000490750733 566877030 /nfs/dbraw/zinc/87/70/30/566877030.db2.gz KDCCHANZNGNROG-HNNXBMFYSA-N -1 3 384.929 3.034 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000543395206 566877081 /nfs/dbraw/zinc/87/70/81/566877081.db2.gz SNYLRZHVYWOEGR-ZWNOBZJWSA-N -1 3 394.306 3.460 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCOC1 ZINC000543393917 566877105 /nfs/dbraw/zinc/87/71/05/566877105.db2.gz AXZGLRHWCMCMTH-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000543395200 566877121 /nfs/dbraw/zinc/87/71/21/566877121.db2.gz SNYLRZHVYWOEGR-GWCFXTLKSA-N -1 3 394.306 3.460 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000543393531 566877139 /nfs/dbraw/zinc/87/71/39/566877139.db2.gz IIBNFPHGZANLIY-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM C[C@@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)N1CCCCC1 ZINC000543394246 566877267 /nfs/dbraw/zinc/87/72/67/566877267.db2.gz IQQHCMJVMZIEDD-LBPRGKRZSA-N -1 3 393.322 3.131 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000543393532 566877272 /nfs/dbraw/zinc/87/72/72/566877272.db2.gz IIBNFPHGZANLIY-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cnn(C2CCCC2)c1)c1cccs1 ZINC000632341763 566877917 /nfs/dbraw/zinc/87/79/17/566877917.db2.gz USWXBTNAFSTCJP-MRXNPFEDSA-N -1 3 383.539 3.098 20 0 GGADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543414848 566878316 /nfs/dbraw/zinc/87/83/16/566878316.db2.gz AZMVATDDIQJFFR-NSHDSACASA-N -1 3 395.750 3.255 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1F ZINC000518349048 566879239 /nfs/dbraw/zinc/87/92/39/566879239.db2.gz OLGCNKGOXCNTHP-OAHLLOKOSA-N -1 3 382.888 3.280 20 0 GGADHM CCc1ccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1Cl ZINC000490790643 566879715 /nfs/dbraw/zinc/87/97/15/566879715.db2.gz FMKHBONDWIHZGZ-UHFFFAOYSA-N -1 3 387.914 3.194 20 0 GGADHM Cc1nocc1C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000632397636 566880917 /nfs/dbraw/zinc/88/09/17/566880917.db2.gz GCRZUQXLNBGDKZ-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Br)[nH]n1 ZINC000632395371 566881111 /nfs/dbraw/zinc/88/11/11/566881111.db2.gz MCJBKQRUUOJQGZ-VIFPVBQESA-N -1 3 392.706 3.044 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563394846 566882045 /nfs/dbraw/zinc/88/20/45/566882045.db2.gz QKIXWXJTPRJDML-GFCCVEGCSA-N -1 3 392.278 3.399 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1 ZINC000470550019 566882035 /nfs/dbraw/zinc/88/20/35/566882035.db2.gz SWAQDKQOYWADAY-AWEZNQCLSA-N -1 3 387.885 3.259 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)s1 ZINC000518423539 566882391 /nfs/dbraw/zinc/88/23/91/566882391.db2.gz CJIIKVKRNAZBAH-UHFFFAOYSA-N -1 3 377.443 3.273 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(C)(C)C ZINC000451788815 566882615 /nfs/dbraw/zinc/88/26/15/566882615.db2.gz ZTFSRHVNGUMTIL-AWEZNQCLSA-N -1 3 390.933 3.201 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(N(C)C)nc1 ZINC000470559153 566883188 /nfs/dbraw/zinc/88/31/88/566883188.db2.gz ODXRCWMDSDNHIJ-UHFFFAOYSA-N -1 3 379.869 3.334 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000563434283 566883234 /nfs/dbraw/zinc/88/32/34/566883234.db2.gz CFKMLPOZRWLDGV-UHFFFAOYSA-N -1 3 398.319 3.018 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCc2c1cnn2C ZINC000470555917 566883410 /nfs/dbraw/zinc/88/34/10/566883410.db2.gz LHCGWLBMHLWVGP-AWEZNQCLSA-N -1 3 379.869 3.484 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1cscc1Br ZINC000632410063 566883694 /nfs/dbraw/zinc/88/36/94/566883694.db2.gz UCVBBCRNXNYNPH-SNVBAGLBSA-N -1 3 380.329 3.138 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000611024908 566883754 /nfs/dbraw/zinc/88/37/54/566883754.db2.gz QJMAXVOCFHCCME-AEFFLSMTSA-N -1 3 379.865 3.135 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000451805434 566883840 /nfs/dbraw/zinc/88/38/40/566883840.db2.gz AZIBLEHWQFUPKM-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000611024909 566883997 /nfs/dbraw/zinc/88/39/97/566883997.db2.gz QJMAXVOCFHCCME-FUHWJXTLSA-N -1 3 379.865 3.135 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(OC(C)(C)C)cc1 ZINC000611016044 566884027 /nfs/dbraw/zinc/88/40/27/566884027.db2.gz FYHQAPPNNZIDPS-UHFFFAOYSA-N -1 3 383.491 3.191 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)c1ccccc1 ZINC000611024910 566884391 /nfs/dbraw/zinc/88/43/91/566884391.db2.gz QJMAXVOCFHCCME-SJLPKXTDSA-N -1 3 379.865 3.135 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2c(C)n[nH]c2C)c(Cl)c1Cl ZINC000632445457 566884241 /nfs/dbraw/zinc/88/42/41/566884241.db2.gz JNAUUNCATVWXTO-SECBINFHSA-N -1 3 378.281 3.381 20 0 GGADHM COC[C@@H](C[N-]S(=O)(=O)c1sccc1OC)c1ccc(Cl)cc1 ZINC000451809399 566885306 /nfs/dbraw/zinc/88/53/06/566885306.db2.gz LXXCSTNNOSNSFJ-GFCCVEGCSA-N -1 3 375.899 3.119 20 0 GGADHM CC(C)(O)CCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000518466420 566886014 /nfs/dbraw/zinc/88/60/14/566886014.db2.gz VHINZBBQFBUIGJ-UHFFFAOYSA-N -1 3 386.677 3.404 20 0 GGADHM CCCCN(CCCC)S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000470597971 566886034 /nfs/dbraw/zinc/88/60/34/566886034.db2.gz DGILQHLZUTWFCR-UHFFFAOYSA-N -1 3 382.555 3.442 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2c(C)n[nH]c2C)s1 ZINC000632446265 566886182 /nfs/dbraw/zinc/88/61/82/566886182.db2.gz ZWPAEHRBMKWGJY-SECBINFHSA-N -1 3 378.317 3.198 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000490924309 566886670 /nfs/dbraw/zinc/88/66/70/566886670.db2.gz HBNKYYAELSZLLV-NXEZZACHSA-N -1 3 376.190 3.492 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2c(C)n[nH]c2C)cc1Cl ZINC000632445807 566886790 /nfs/dbraw/zinc/88/67/90/566886790.db2.gz QKJNDXSPFGXATH-VIFPVBQESA-N -1 3 378.281 3.381 20 0 GGADHM Cn1[n-]c(=NC(=O)CCCc2ccccc2Br)cc1OC(F)F ZINC000490945263 566886756 /nfs/dbraw/zinc/88/67/56/566886756.db2.gz YPNDGFDDSPLTDB-UHFFFAOYSA-N -1 3 388.212 3.167 20 0 GGADHM C[C@H](CC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)cc1 ZINC000490941726 566886777 /nfs/dbraw/zinc/88/67/77/566886777.db2.gz JMRLALUDQDVUHN-SECBINFHSA-N -1 3 388.212 3.338 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cscc1Br)c1cccnc1 ZINC000632460707 566887019 /nfs/dbraw/zinc/88/70/19/566887019.db2.gz CCWOXBSPPOTKHG-UHFFFAOYSA-N -1 3 375.313 3.162 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000470603109 566887031 /nfs/dbraw/zinc/88/70/31/566887031.db2.gz VRCPXFJWOAMWMS-UHFFFAOYSA-N -1 3 380.853 3.319 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000611080038 566887391 /nfs/dbraw/zinc/88/73/91/566887391.db2.gz AORBWVPMZZRXMM-WMZOPIPTSA-N -1 3 379.865 3.135 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451819321 566887353 /nfs/dbraw/zinc/88/73/53/566887353.db2.gz ABKPZAOIRKEMLA-JTQLQIEISA-N -1 3 398.269 3.480 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451819614 566887616 /nfs/dbraw/zinc/88/76/16/566887616.db2.gz BBCUEDIECWYTPP-NWDGAFQWSA-N -1 3 397.871 3.467 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)c1ccccn1 ZINC000632472073 566888367 /nfs/dbraw/zinc/88/83/67/566888367.db2.gz AZJXXJKNNPHZRG-CYBMUJFWSA-N -1 3 385.283 3.282 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000451823121 566888575 /nfs/dbraw/zinc/88/85/75/566888575.db2.gz MDFSXAPVUALKOA-VIFPVBQESA-N -1 3 384.242 3.171 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCOC[C@H]1CCOC1 ZINC000470621402 566888731 /nfs/dbraw/zinc/88/87/31/566888731.db2.gz IILUQZUVDOUFKQ-CYBMUJFWSA-N -1 3 387.885 3.116 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1ccccn1 ZINC000632472051 566888930 /nfs/dbraw/zinc/88/89/30/566888930.db2.gz AKKSSBVPJPHBKX-CYBMUJFWSA-N -1 3 379.869 3.049 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCC[C@@H](F)C1 ZINC000518538805 566889165 /nfs/dbraw/zinc/88/91/65/566889165.db2.gz QYNAISNHVKQMGO-GHMZBOCLSA-N -1 3 397.299 3.059 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CCC)CC2)cc1 ZINC000470619127 566889254 /nfs/dbraw/zinc/88/92/54/566889254.db2.gz MKIYVMWNLRTJCK-UHFFFAOYSA-N -1 3 388.555 3.087 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)F)no1)c1cc(Cl)ccc1C(F)(F)F ZINC000632480561 566890392 /nfs/dbraw/zinc/89/03/92/566890392.db2.gz TZAMPRFKYZAFKL-UHFFFAOYSA-N -1 3 391.705 3.158 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000563521593 566890564 /nfs/dbraw/zinc/89/05/64/566890564.db2.gz NWVCGWTVYJGTQE-PTRXPTGYSA-N -1 3 378.263 3.064 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@]1(N(C)C)CCSC1 ZINC000470624760 566890783 /nfs/dbraw/zinc/89/07/83/566890783.db2.gz XXXAENMFYIVFNP-INIZCTEOSA-N -1 3 388.942 3.110 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C2CCC2)c(Br)c1 ZINC000611117442 566890881 /nfs/dbraw/zinc/89/08/81/566890881.db2.gz AHBYZHFJHMCVBV-SNVBAGLBSA-N -1 3 390.299 3.093 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000563523079 566891066 /nfs/dbraw/zinc/89/10/66/566891066.db2.gz GEIXHRZGOFIWKE-BPLDGKMQSA-N -1 3 391.892 3.314 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2Cl)c(C)o1 ZINC000611108747 566891419 /nfs/dbraw/zinc/89/14/19/566891419.db2.gz LBWQRUFWLXKWJH-SKDRFNHKSA-N -1 3 387.816 3.002 20 0 GGADHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C2 ZINC000680097608 566891292 /nfs/dbraw/zinc/89/12/92/566891292.db2.gz LLGSHMVTKCYHLC-CQSZACIVSA-N -1 3 381.881 3.193 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2cc(-c3ccccc3Cl)on2)[n-]1 ZINC000563518521 566891537 /nfs/dbraw/zinc/89/15/37/566891537.db2.gz BJGFQAFFCLPNTB-UHFFFAOYSA-N -1 3 380.857 3.385 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)c(C)o1 ZINC000611108745 566891817 /nfs/dbraw/zinc/89/18/17/566891817.db2.gz LBWQRUFWLXKWJH-CABZTGNLSA-N -1 3 387.816 3.002 20 0 GGADHM CC(C)n1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nn1 ZINC000632528950 566892151 /nfs/dbraw/zinc/89/21/51/566892151.db2.gz RAEHZPCTLAMLCL-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491077669 566892202 /nfs/dbraw/zinc/89/22/02/566892202.db2.gz NJTFQPDFKVFWAB-ZETCQYMHSA-N -1 3 380.178 3.156 20 0 GGADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)c1ccc(Br)s1 ZINC000680107862 566892586 /nfs/dbraw/zinc/89/25/86/566892586.db2.gz NYYJIZZSYBFCMS-QMMMGPOBSA-N -1 3 396.234 3.201 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C2CC2)c(Cl)c1Cl ZINC000680109126 566892856 /nfs/dbraw/zinc/89/28/56/566892856.db2.gz UKHKUMTZXUJNKB-GJZGRUSLSA-N -1 3 380.293 3.238 20 0 GGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680106804 566893124 /nfs/dbraw/zinc/89/31/24/566893124.db2.gz BKFXZHMIMVCJQH-ZDUSSCGKSA-N -1 3 377.771 3.310 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C3CC3)cc2)s1 ZINC000563533282 566893734 /nfs/dbraw/zinc/89/37/34/566893734.db2.gz BJMQIBQSRAHWRL-GFCCVEGCSA-N -1 3 378.519 3.301 20 0 GGADHM Cn1[n-]c(=NC(=O)c2ccc(Br)cc2Cl)cc1OC(F)F ZINC000491083474 566894021 /nfs/dbraw/zinc/89/40/21/566894021.db2.gz XPDNPCLVCCABNX-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c(=O)[n-]1 ZINC000518613154 566894545 /nfs/dbraw/zinc/89/45/45/566894545.db2.gz SVNABAMEPQVBOU-HZPDHXFCSA-N -1 3 390.281 3.166 20 0 GGADHM O=S(=O)([N-][C@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000451857476 566894922 /nfs/dbraw/zinc/89/49/22/566894922.db2.gz QTQPPWVSVAZNGX-WFASDCNBSA-N -1 3 397.846 3.434 20 0 GGADHM O=S(=O)([N-][C@H]([C@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000451857473 566894934 /nfs/dbraw/zinc/89/49/34/566894934.db2.gz QTQPPWVSVAZNGX-DOMZBBRYSA-N -1 3 397.846 3.434 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c(=O)[n-]1 ZINC000518613151 566895641 /nfs/dbraw/zinc/89/56/41/566895641.db2.gz SVNABAMEPQVBOU-CVEARBPZSA-N -1 3 390.281 3.166 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)cc1Cl ZINC000451856293 566895792 /nfs/dbraw/zinc/89/57/92/566895792.db2.gz PIUFTRCTIAUGNW-BDJLRTHQSA-N -1 3 394.320 3.077 20 0 GGADHM O=S(=O)([N-][C@@H]([C@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000451857474 566895878 /nfs/dbraw/zinc/89/58/78/566895878.db2.gz QTQPPWVSVAZNGX-IUODEOHRSA-N -1 3 397.846 3.434 20 0 GGADHM O=S(=O)([N-][C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000451867615 566896883 /nfs/dbraw/zinc/89/68/83/566896883.db2.gz ZFEPDTYDDYNSOA-WFASDCNBSA-N -1 3 397.846 3.434 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000632606953 566898079 /nfs/dbraw/zinc/89/80/79/566898079.db2.gz YMXBBXKMCMITLX-CABCVRRESA-N -1 3 390.889 3.194 20 0 GGADHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000611183283 566899231 /nfs/dbraw/zinc/89/92/31/566899231.db2.gz HBKFOGDTMVYLBL-SECBINFHSA-N -1 3 390.235 3.085 20 0 GGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000470755743 566901704 /nfs/dbraw/zinc/90/17/04/566901704.db2.gz LGHGVUSINSWYEF-UHFFFAOYSA-N -1 3 393.818 3.453 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000470760398 566901712 /nfs/dbraw/zinc/90/17/12/566901712.db2.gz PLGBOJMGUYCTNZ-AWEZNQCLSA-N -1 3 392.297 3.242 20 0 GGADHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000470759813 566901790 /nfs/dbraw/zinc/90/17/90/566901790.db2.gz KIINYQNBRIEBEM-SECBINFHSA-N -1 3 387.807 3.225 20 0 GGADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000632645881 566902730 /nfs/dbraw/zinc/90/27/30/566902730.db2.gz XCYFGVYJZLWAQO-CYBMUJFWSA-N -1 3 396.822 3.137 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c1 ZINC000470774157 566903891 /nfs/dbraw/zinc/90/38/91/566903891.db2.gz RFFQCXHASPLWKY-UHFFFAOYSA-N -1 3 382.894 3.479 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)CC1CC1 ZINC000582909242 566905887 /nfs/dbraw/zinc/90/58/87/566905887.db2.gz SETIEGDNKNQHKE-LLVKDONJSA-N -1 3 380.293 3.002 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)c3ccccc3C)cc2C1 ZINC000632688173 566906243 /nfs/dbraw/zinc/90/62/43/566906243.db2.gz GTABGWWYWOPKEN-CYBMUJFWSA-N -1 3 378.519 3.001 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCc2c1ccc(F)c2Br ZINC000451911857 566906885 /nfs/dbraw/zinc/90/68/85/566906885.db2.gz QXEWYJUAMKJWNP-LBPRGKRZSA-N -1 3 389.246 3.159 20 0 GGADHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491511183 566907533 /nfs/dbraw/zinc/90/75/33/566907533.db2.gz CJUZLFUYFAXBSI-QGZVFWFLSA-N -1 3 375.918 3.348 20 0 GGADHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491517221 566908071 /nfs/dbraw/zinc/90/80/71/566908071.db2.gz ZIAUZFSFWIULQM-KRWDZBQOSA-N -1 3 375.918 3.204 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CC(C2CCC2)C1 ZINC000563705584 566908567 /nfs/dbraw/zinc/90/85/67/566908567.db2.gz BSQLHLZQJYCDFS-UHFFFAOYSA-N -1 3 396.559 3.160 20 0 GGADHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000451929354 566910209 /nfs/dbraw/zinc/91/02/09/566910209.db2.gz NVDCZFVLVUBOKB-ZETCQYMHSA-N -1 3 398.735 3.420 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(OC(C)C)cc1)c1cccs1 ZINC000611340248 566910732 /nfs/dbraw/zinc/91/07/32/566910732.db2.gz WPCYQSYWEFJTGF-HNNXBMFYSA-N -1 3 383.491 3.118 20 0 GGADHM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491592375 566911002 /nfs/dbraw/zinc/91/10/02/566911002.db2.gz UWZGTJKZQVPWJG-GXTWGEPZSA-N -1 3 393.958 3.318 20 0 GGADHM C[C@H](c1ccccc1)N(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000563716016 566911659 /nfs/dbraw/zinc/91/16/59/566911659.db2.gz NNMJTDXEVFVKDE-UONOGXRCSA-N -1 3 378.519 3.167 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1CO)c1cc(Cl)ccc1OCCC1CC1 ZINC000491607028 566912420 /nfs/dbraw/zinc/91/24/20/566912420.db2.gz KVKQELPYDZECIE-ZBFHGGJFSA-N -1 3 387.929 3.348 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC[C@H]1CO)c1cc(Cl)ccc1OCCC1CC1 ZINC000491607027 566913048 /nfs/dbraw/zinc/91/30/48/566913048.db2.gz KVKQELPYDZECIE-HOCLYGCPSA-N -1 3 387.929 3.348 20 0 GGADHM COc1cc([C@@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F)cc(OC)c1OC ZINC000491645262 566913655 /nfs/dbraw/zinc/91/36/55/566913655.db2.gz BVDZZWQEDFGMRJ-GFCCVEGCSA-N -1 3 375.265 3.384 20 0 GGADHM O=S(=O)([N-][C@H]1COCc2ccccc21)c1ccc(C(F)(F)F)cc1F ZINC000583013561 566913797 /nfs/dbraw/zinc/91/37/97/566913797.db2.gz PLHCYPUSLBSQPW-AWEZNQCLSA-N -1 3 375.343 3.394 20 0 GGADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(Br)cc1)c1c[nH]cn1 ZINC000680514452 566914358 /nfs/dbraw/zinc/91/43/58/566914358.db2.gz MGPYWCYFFLPVFK-SNVBAGLBSA-N -1 3 398.204 3.144 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000518992143 566915018 /nfs/dbraw/zinc/91/50/18/566915018.db2.gz JXASRIRIMAKUEZ-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000518992143 566915026 /nfs/dbraw/zinc/91/50/26/566915026.db2.gz JXASRIRIMAKUEZ-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000518992143 566915032 /nfs/dbraw/zinc/91/50/32/566915032.db2.gz JXASRIRIMAKUEZ-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000451964595 566915509 /nfs/dbraw/zinc/91/55/09/566915509.db2.gz BMODBYFGBLOVFM-OQPBUACISA-N -1 3 382.707 3.194 20 0 GGADHM CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491721366 566915526 /nfs/dbraw/zinc/91/55/26/566915526.db2.gz RTDYMWGGAVZNAS-INIZCTEOSA-N -1 3 375.918 3.204 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cccc(C(=O)OC(C)(C)C)c2)s1 ZINC000611416238 566916292 /nfs/dbraw/zinc/91/62/92/566916292.db2.gz LHVIYBXEUCMAOT-UHFFFAOYSA-N -1 3 382.507 3.194 20 0 GGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000451966165 566916415 /nfs/dbraw/zinc/91/64/15/566916415.db2.gz DSFRBLWTRQFIFR-AMIZOPFISA-N -1 3 382.707 3.194 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000491835952 566917596 /nfs/dbraw/zinc/91/75/96/566917596.db2.gz UPOKXERTWUBGFI-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2cc(Cl)cc(Cl)c2)cc1 ZINC000519067283 566918111 /nfs/dbraw/zinc/91/81/11/566918111.db2.gz RPCDVGJZCJWKKB-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000519092466 566919744 /nfs/dbraw/zinc/91/97/44/566919744.db2.gz LENBYXVYEADUKV-HUUCEWRRSA-N -1 3 380.535 3.242 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)on1 ZINC000611489492 566920549 /nfs/dbraw/zinc/92/05/49/566920549.db2.gz UOHMDWKGHLQFNQ-UHFFFAOYSA-N -1 3 393.115 3.495 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000563830481 566921021 /nfs/dbraw/zinc/92/10/21/566921021.db2.gz ZWLWJKZPSGYSBO-UHFFFAOYSA-N -1 3 378.820 3.349 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(Cc2cccc(Cl)c2)CC1 ZINC000452008055 566921354 /nfs/dbraw/zinc/92/13/54/566921354.db2.gz RUIKIBOKTDQUCX-UHFFFAOYSA-N -1 3 385.894 3.242 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2)C1CCCCC1 ZINC000656615449 566922608 /nfs/dbraw/zinc/92/26/08/566922608.db2.gz IUCGSNGFMABYRW-OAHLLOKOSA-N -1 3 384.523 3.068 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cccc(Cl)c1Br ZINC000452014717 566922674 /nfs/dbraw/zinc/92/26/74/566922674.db2.gz IQIBMLXNASSHCK-SNVBAGLBSA-N -1 3 382.707 3.198 20 0 GGADHM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)CCc2ccccc2Cl)cc1 ZINC000656616200 566922828 /nfs/dbraw/zinc/92/28/28/566922828.db2.gz QZROGXJHEPEXOS-UHFFFAOYSA-N -1 3 378.881 3.217 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1ccc(Cl)cc1Br ZINC000452016537 566922970 /nfs/dbraw/zinc/92/29/70/566922970.db2.gz LTFZPBGYLADWGH-JTQLQIEISA-N -1 3 382.707 3.198 20 0 GGADHM CC(C)[C@H]1N(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000583128768 566923305 /nfs/dbraw/zinc/92/33/05/566923305.db2.gz HCJAUTSGKVLKAI-QGZVFWFLSA-N -1 3 384.567 3.234 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)CCc1ccccc1Cl ZINC000656616606 566923391 /nfs/dbraw/zinc/92/33/91/566923391.db2.gz XFKGNKHPAIUKLF-UHFFFAOYSA-N -1 3 387.910 3.036 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1ccc(Cl)cc1Br ZINC000452016538 566923320 /nfs/dbraw/zinc/92/33/20/566923320.db2.gz LTFZPBGYLADWGH-SNVBAGLBSA-N -1 3 382.707 3.198 20 0 GGADHM COc1ccc(CN[C@]2(CO)CCc3ccccc32)c(Br)c1[O-] ZINC000680627595 566923650 /nfs/dbraw/zinc/92/36/50/566923650.db2.gz OLRFHGWKBHDBRW-SFHVURJKSA-N -1 3 378.266 3.087 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OCC(C)C)c(Cl)c1)[C@@H]1CCOC1 ZINC000656616923 566924476 /nfs/dbraw/zinc/92/44/76/566924476.db2.gz VTSNDCZAHGQOJW-DYVFJYSZSA-N -1 3 391.917 3.168 20 0 GGADHM COc1ccc(CN(CCO)CCc2ccccc2)c(Br)c1[O-] ZINC000680649609 566925130 /nfs/dbraw/zinc/92/51/30/566925130.db2.gz DVHSGMLRCGPYQF-UHFFFAOYSA-N -1 3 380.282 3.200 20 0 GGADHM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cc([O-])ccc1Br ZINC000680650716 566925188 /nfs/dbraw/zinc/92/51/88/566925188.db2.gz GMQGSOQODDKYIE-KRWDZBQOSA-N -1 3 375.266 3.136 20 0 GGADHM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc([O-])ccc1Br ZINC000680650729 566925466 /nfs/dbraw/zinc/92/54/66/566925466.db2.gz GMQGSOQODDKYIE-QGZVFWFLSA-N -1 3 375.266 3.136 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cnc(C)cc2C)c(Cl)c1Cl ZINC000452048450 566926019 /nfs/dbraw/zinc/92/60/19/566926019.db2.gz QAYIGGMCDZQXET-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000519187083 566926214 /nfs/dbraw/zinc/92/62/14/566926214.db2.gz LFLZCDVRSAEXHA-QWRGUYRKSA-N -1 3 394.306 3.460 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H](CO)CC1CCCC1 ZINC000543997553 566926393 /nfs/dbraw/zinc/92/63/93/566926393.db2.gz DRYMZFCNJGVEOA-AWEZNQCLSA-N -1 3 385.302 3.143 20 0 GGADHM Cc1cc(C)c(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cn1 ZINC000452039528 566926514 /nfs/dbraw/zinc/92/65/14/566926514.db2.gz HEMWPZOLJYYTKV-UHFFFAOYSA-N -1 3 378.347 3.215 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3n2C)c(F)cc1F ZINC000492152275 566926664 /nfs/dbraw/zinc/92/66/64/566926664.db2.gz ODQAGRKSTWAJKS-UHFFFAOYSA-N -1 3 385.823 3.292 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)ccc1Br ZINC000656624866 566926784 /nfs/dbraw/zinc/92/67/84/566926784.db2.gz RXHSZLROKLLBGZ-HNNXBMFYSA-N -1 3 392.315 3.405 20 0 GGADHM Cn1cc(Cc2noc(-c3n[n-]c(-c4ccccc4)c3Br)n2)cn1 ZINC000680720602 566927485 /nfs/dbraw/zinc/92/74/85/566927485.db2.gz KFLGFRPFCDOEOM-UHFFFAOYSA-N -1 3 385.225 3.214 20 0 GGADHM Cn1cc(Cc2noc(-c3[n-]nc(-c4ccccc4)c3Br)n2)cn1 ZINC000680720602 566927492 /nfs/dbraw/zinc/92/74/92/566927492.db2.gz KFLGFRPFCDOEOM-UHFFFAOYSA-N -1 3 385.225 3.214 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000452051225 566927654 /nfs/dbraw/zinc/92/76/54/566927654.db2.gz YNBZMKCCAOILHF-CVEARBPZSA-N -1 3 386.583 3.312 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(C)(C)C ZINC000543998289 566927659 /nfs/dbraw/zinc/92/76/59/566927659.db2.gz JRWMLZSSKDHUJQ-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)C1(O)CCCC1 ZINC000452054472 566927876 /nfs/dbraw/zinc/92/78/76/566927876.db2.gz QXSCTUPGMGAHRY-UHFFFAOYSA-N -1 3 382.345 3.120 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)cc(Cl)c1OC ZINC000656632417 566928245 /nfs/dbraw/zinc/92/82/45/566928245.db2.gz XOPDAOHUEOXHPZ-OAHLLOKOSA-N -1 3 377.890 3.304 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1 ZINC000632998504 566929039 /nfs/dbraw/zinc/92/90/39/566929039.db2.gz GFOWBVJJRXTBND-UHFFFAOYSA-N -1 3 393.515 3.179 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(C3CCC3)c2)s1 ZINC000519252886 566929071 /nfs/dbraw/zinc/92/90/71/566929071.db2.gz WHUISRPKFWRRHX-UHFFFAOYSA-N -1 3 379.507 3.245 20 0 GGADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N=c1[nH][n-]cc1Br ZINC000583219656 566930504 /nfs/dbraw/zinc/93/05/04/566930504.db2.gz AWVMXSQGOHWPJF-UHFFFAOYSA-N -1 3 381.230 3.417 20 0 GGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000452066711 566930474 /nfs/dbraw/zinc/93/04/74/566930474.db2.gz KYZJVHYTUSXKDV-UKRRQHHQSA-N -1 3 392.880 3.064 20 0 GGADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(Br)c2c1OCCC2 ZINC000429416697 566930831 /nfs/dbraw/zinc/93/08/31/566930831.db2.gz LLTGELYWJUHWRG-UHFFFAOYSA-N -1 3 399.248 3.233 20 0 GGADHM CCc1[nH]nc(C(=O)Nc2cc(Br)ccc2[O-])c1Br ZINC000583243199 566933384 /nfs/dbraw/zinc/93/33/84/566933384.db2.gz OPDNLJYTCMUATE-UHFFFAOYSA-N -1 3 389.047 3.455 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC000519337188 566934054 /nfs/dbraw/zinc/93/40/54/566934054.db2.gz QCEKKAXRDARUKL-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000680815166 566935150 /nfs/dbraw/zinc/93/51/50/566935150.db2.gz LGKUTJNOSNYAPQ-UHFFFAOYSA-N -1 3 396.306 3.294 20 0 GGADHM COC1CCN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000519373939 566935760 /nfs/dbraw/zinc/93/57/60/566935760.db2.gz ICRVPLSZOQUARI-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM Cn1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000583319195 566938644 /nfs/dbraw/zinc/93/86/44/566938644.db2.gz FULPCPZOKFQVCO-OAHLLOKOSA-N -1 3 384.299 3.002 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000544105097 566939015 /nfs/dbraw/zinc/93/90/15/566939015.db2.gz OFRHFDUBBMZLRA-QWRGUYRKSA-N -1 3 380.279 3.072 20 0 GGADHM Cn1ccc(S(=O)(=O)[N-][C@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000583319194 566939231 /nfs/dbraw/zinc/93/92/31/566939231.db2.gz FULPCPZOKFQVCO-HNNXBMFYSA-N -1 3 384.299 3.002 20 0 GGADHM C[C@@H](CNC(=O)N=c1cc2ccccn2[n-]1)Oc1ccc(Br)cc1 ZINC000519448791 566939316 /nfs/dbraw/zinc/93/93/16/566939316.db2.gz LWLVAGUAOKHTMI-LBPRGKRZSA-N -1 3 389.253 3.108 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ncc(C)cc1Br)C1CCCC1 ZINC000656730324 566939242 /nfs/dbraw/zinc/93/92/42/566939242.db2.gz GWCMTDPWCXXPBU-ZDUSSCGKSA-N -1 3 377.304 3.099 20 0 GGADHM C[C@H](CNC(=O)N=c1cc2ccccn2[n-]1)Oc1ccc(Br)cc1 ZINC000519448784 566939550 /nfs/dbraw/zinc/93/95/50/566939550.db2.gz LWLVAGUAOKHTMI-GFCCVEGCSA-N -1 3 389.253 3.108 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)N1CCCCC1=O ZINC000519428812 566939957 /nfs/dbraw/zinc/93/99/57/566939957.db2.gz QCYSYCANWDONAX-CYBMUJFWSA-N -1 3 380.897 3.173 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000583327940 566941239 /nfs/dbraw/zinc/94/12/39/566941239.db2.gz LTHGVXGMAMWRJD-GOSISDBHSA-N -1 3 393.281 3.311 20 0 GGADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000656731068 566941360 /nfs/dbraw/zinc/94/13/60/566941360.db2.gz LTFYEUCODXSSNK-LLVKDONJSA-N -1 3 385.283 3.244 20 0 GGADHM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)c1 ZINC000519463688 566941387 /nfs/dbraw/zinc/94/13/87/566941387.db2.gz PXFKFIUDIOGSSG-UHFFFAOYSA-N -1 3 390.230 3.412 20 0 GGADHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000452127448 566941642 /nfs/dbraw/zinc/94/16/42/566941642.db2.gz SIEJJZVIBLIVOA-RWSFTLGLSA-N -1 3 385.277 3.096 20 0 GGADHM C[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cccc(Br)c1 ZINC000429640191 566942313 /nfs/dbraw/zinc/94/23/13/566942313.db2.gz WWNWGIJYJJNSOT-MRVPVSSYSA-N -1 3 389.200 3.089 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493130229 566942953 /nfs/dbraw/zinc/94/29/53/566942953.db2.gz GVVFTBXQBQADTF-ZJUUUORDSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccccc1Br ZINC000429635895 566942808 /nfs/dbraw/zinc/94/28/08/566942808.db2.gz NLIWONFLSOKPFW-QMMMGPOBSA-N -1 3 389.200 3.089 20 0 GGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000519486367 566943180 /nfs/dbraw/zinc/94/31/80/566943180.db2.gz XTMVZXPWRJSLNZ-GFCCVEGCSA-N -1 3 392.315 3.483 20 0 GGADHM C[C@H](c1ccco1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000519483298 566943200 /nfs/dbraw/zinc/94/32/00/566943200.db2.gz ZAEQFVYXOZTWEN-SNVBAGLBSA-N -1 3 391.276 3.084 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1cccc(Cl)c1Br ZINC000493048730 566943608 /nfs/dbraw/zinc/94/36/08/566943608.db2.gz HVXGGDCJSBBIIP-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM Cc1nccc([N-]S(=O)(=O)c2cccc(Br)c2C)c1Cl ZINC000680950995 566943738 /nfs/dbraw/zinc/94/37/38/566943738.db2.gz MQJTUGVXQMICNQ-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)n2C)c1Cl ZINC000680954553 566943868 /nfs/dbraw/zinc/94/38/68/566943868.db2.gz DBJIFOJXVWBRSP-UHFFFAOYSA-N -1 3 389.308 3.095 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1OC(F)F ZINC000429658331 566943902 /nfs/dbraw/zinc/94/39/02/566943902.db2.gz HOVNIJJIYAGUHX-MRVPVSSYSA-N -1 3 393.177 3.005 20 0 GGADHM CCN(C(C)=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)cn1 ZINC000656738261 566944160 /nfs/dbraw/zinc/94/41/60/566944160.db2.gz GRHAVEMFMFHXOV-UHFFFAOYSA-N -1 3 385.848 3.189 20 0 GGADHM CCN(C(C)=O)c1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cn1 ZINC000656737342 566944285 /nfs/dbraw/zinc/94/42/85/566944285.db2.gz BIEGTAYFRNYNAQ-UHFFFAOYSA-N -1 3 381.885 3.092 20 0 GGADHM Cc1c(Br)ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1F ZINC000471297197 566944723 /nfs/dbraw/zinc/94/47/23/566944723.db2.gz QCYUUVFZPYYWIG-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1c(Br)ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1F ZINC000471297197 566944731 /nfs/dbraw/zinc/94/47/31/566944731.db2.gz QCYUUVFZPYYWIG-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CC(=O)CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)C ZINC000633221386 566944884 /nfs/dbraw/zinc/94/48/84/566944884.db2.gz ULHPTGUEMRHQSB-UHFFFAOYSA-N -1 3 399.672 3.384 20 0 GGADHM CC(=O)CN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C(C)C ZINC000633221386 566944890 /nfs/dbraw/zinc/94/48/90/566944890.db2.gz ULHPTGUEMRHQSB-UHFFFAOYSA-N -1 3 399.672 3.384 20 0 GGADHM Cn1[n-]c(=NC(=O)NCc2nc3cc(Cl)ccc3s2)cc1OC(F)F ZINC000429642185 566944893 /nfs/dbraw/zinc/94/48/93/566944893.db2.gz FMTTZNJYTHBSER-UHFFFAOYSA-N -1 3 387.799 3.028 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493277571 566945960 /nfs/dbraw/zinc/94/59/60/566945960.db2.gz AHPRPRTXFMKFKK-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000544189455 566946187 /nfs/dbraw/zinc/94/61/87/566946187.db2.gz GLVFYOMNOIIGHL-RKDXNWHRSA-N -1 3 387.807 3.225 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCN(C)CC(F)(F)F ZINC000471304882 566946282 /nfs/dbraw/zinc/94/62/82/566946282.db2.gz UGFGKBXBSGXRJB-UHFFFAOYSA-N -1 3 382.379 3.043 20 0 GGADHM O=C([O-])CCN(Cc1cc(Br)cc2cccnc21)C[C@H]1CCCO1 ZINC000519547808 566946617 /nfs/dbraw/zinc/94/66/17/566946617.db2.gz MSXCUHKOFIWYIE-MRXNPFEDSA-N -1 3 393.281 3.453 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1C1CC1 ZINC000493444158 566946882 /nfs/dbraw/zinc/94/68/82/566946882.db2.gz VLZGOVKCCPGVPL-UHFFFAOYSA-N -1 3 375.281 3.015 20 0 GGADHM COCC[C@@H](Cc1ccco1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000544176746 566946949 /nfs/dbraw/zinc/94/69/49/566946949.db2.gz KJOHREASEULACP-ZDUSSCGKSA-N -1 3 397.269 3.195 20 0 GGADHM C[C@H]1[C@@H](NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCCN1C ZINC000471313641 566947562 /nfs/dbraw/zinc/94/75/62/566947562.db2.gz HVJMASNYXKHCKJ-ZANVPECISA-N -1 3 383.880 3.024 20 0 GGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429862829 566959422 /nfs/dbraw/zinc/95/94/22/566959422.db2.gz APLCADOAGMEDRM-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000493543883 566949120 /nfs/dbraw/zinc/94/91/20/566949120.db2.gz KFWUUXWMEMEXOR-VHSXEESVSA-N -1 3 399.740 3.339 20 0 GGADHM CC(C)N(C)C[C@H](C)NC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000519568690 566949130 /nfs/dbraw/zinc/94/91/30/566949130.db2.gz QALORVXVDBGUNX-ZDUSSCGKSA-N -1 3 379.555 3.103 20 0 GGADHM COc1ccccc1OCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000612018928 566949486 /nfs/dbraw/zinc/94/94/86/566949486.db2.gz FFQHGUZCAUQQBG-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)cs1 ZINC000493607485 566950483 /nfs/dbraw/zinc/95/04/83/566950483.db2.gz XQBAEKRKZPECLN-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1ccc(Cl)cc1Cl ZINC000429815052 566950595 /nfs/dbraw/zinc/95/05/95/566950595.db2.gz ORFXPCLCLJEQOO-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c2nccn21 ZINC000583422618 566951231 /nfs/dbraw/zinc/95/12/31/566951231.db2.gz NVESAXPAYXWHBS-KWQFWETISA-N -1 3 390.690 3.283 20 0 GGADHM CC(F)(F)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000452211858 566951977 /nfs/dbraw/zinc/95/19/77/566951977.db2.gz AYLVMVATUBQQOY-UHFFFAOYSA-N -1 3 394.490 3.063 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000429816434 566952618 /nfs/dbraw/zinc/95/26/18/566952618.db2.gz CUAADSZLYFJLQX-LBPRGKRZSA-N -1 3 392.279 3.262 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1)c1cccc(Cl)c1Br ZINC000493681525 566952900 /nfs/dbraw/zinc/95/29/00/566952900.db2.gz OOLXDEBTGMNWRV-UHFFFAOYSA-N -1 3 390.686 3.460 20 0 GGADHM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000429821466 566952954 /nfs/dbraw/zinc/95/29/54/566952954.db2.gz OBSKASALEDRVCG-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)c1ccc(Cl)cc1Cl ZINC000429815054 566953057 /nfs/dbraw/zinc/95/30/57/566953057.db2.gz ORFXPCLCLJEQOO-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429817244 566953307 /nfs/dbraw/zinc/95/33/07/566953307.db2.gz LISDLCNFVRNVQQ-AAEUAGOBSA-N -1 3 393.336 3.355 20 0 GGADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)c1 ZINC000612089396 566953503 /nfs/dbraw/zinc/95/35/03/566953503.db2.gz LAJFKCFGHZKYCS-LBPRGKRZSA-N -1 3 377.487 3.290 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCO1 ZINC000429826912 566953851 /nfs/dbraw/zinc/95/38/51/566953851.db2.gz HJHLBRZTWNPPCC-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000429826908 566954072 /nfs/dbraw/zinc/95/40/72/566954072.db2.gz HJHLBRZTWNPPCC-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000452234048 566953977 /nfs/dbraw/zinc/95/39/77/566953977.db2.gz BARFDSFWIVTUOM-LOWVWBTDSA-N -1 3 378.416 3.250 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC[C@H]1O ZINC000429827590 566954096 /nfs/dbraw/zinc/95/40/96/566954096.db2.gz QVUISZGPORISMQ-KGLIPLIRSA-N -1 3 396.734 3.322 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429825670 566954316 /nfs/dbraw/zinc/95/43/16/566954316.db2.gz IQTSETZMJSJOPZ-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=S(=O)([N-]CCC1CCOCC1)c1cc(Cl)ccc1Br ZINC000429832473 566954426 /nfs/dbraw/zinc/95/44/26/566954426.db2.gz RJFUCBNCNYKFBR-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM Cc1ncc(CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000544340405 566954392 /nfs/dbraw/zinc/95/43/92/566954392.db2.gz QDKBXLPHFKUATP-UHFFFAOYSA-N -1 3 390.159 3.202 20 0 GGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493740748 566954714 /nfs/dbraw/zinc/95/47/14/566954714.db2.gz VLVXPPQYMSBQMR-NSHDSACASA-N -1 3 395.750 3.255 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC[C@H]1O ZINC000429827594 566954807 /nfs/dbraw/zinc/95/48/07/566954807.db2.gz QVUISZGPORISMQ-ZIAGYGMSSA-N -1 3 396.734 3.322 20 0 GGADHM COC1CCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429842520 566955512 /nfs/dbraw/zinc/95/55/12/566955512.db2.gz TXXAGRSVFNYHIC-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM CC[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C(F)F ZINC000452252950 566955590 /nfs/dbraw/zinc/95/55/90/566955590.db2.gz WQYRTWNZHWAFSK-JTQLQIEISA-N -1 3 394.490 3.062 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544349070 566955675 /nfs/dbraw/zinc/95/56/75/566955675.db2.gz PMEFZCMDQFRPTB-CYBMUJFWSA-N -1 3 398.750 3.424 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)c(C)o1 ZINC000544350067 566955921 /nfs/dbraw/zinc/95/59/21/566955921.db2.gz WWFZWFFTJWLOAX-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544352470 566955988 /nfs/dbraw/zinc/95/59/88/566955988.db2.gz FGZWFDFYMOQBCK-JQWIXIFHSA-N -1 3 380.279 3.070 20 0 GGADHM O=S(=O)(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc([O-])cc1 ZINC000583496006 566956335 /nfs/dbraw/zinc/95/63/35/566956335.db2.gz SNPXBVHNYKJJNI-GOSISDBHSA-N -1 3 380.897 3.161 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000429836930 566956305 /nfs/dbraw/zinc/95/63/05/566956305.db2.gz AUPXARMDZFBYRS-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1F ZINC000519662815 566956351 /nfs/dbraw/zinc/95/63/51/566956351.db2.gz OLEYXQXXFOCYOH-UHFFFAOYSA-N -1 3 377.315 3.490 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544349375 566956668 /nfs/dbraw/zinc/95/66/68/566956668.db2.gz SRPUZXGZHGTRLL-QMMMGPOBSA-N -1 3 391.262 3.275 20 0 GGADHM O=C(c1cccc2cccc(Br)c21)N1CCc2c(=O)[n-]cnc2C1 ZINC000564240374 566956847 /nfs/dbraw/zinc/95/68/47/566956847.db2.gz FMGGRVQCCUHDHW-UHFFFAOYSA-N -1 3 384.233 3.296 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493818027 566957326 /nfs/dbraw/zinc/95/73/26/566957326.db2.gz LITOULOBNFIWCB-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429848001 566957892 /nfs/dbraw/zinc/95/78/92/566957892.db2.gz PDCTYNCMRMEQRL-ONGXEEELSA-N -1 3 382.707 3.338 20 0 GGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493887579 566958364 /nfs/dbraw/zinc/95/83/64/566958364.db2.gz FWNFVWXVVIXEPX-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cccc(F)c2Cl)CC1)c1cccs1 ZINC000583512530 566958648 /nfs/dbraw/zinc/95/86/48/566958648.db2.gz PHNOLSOKIGRSRR-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM COc1nnccc1[N-]C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000564256398 566958674 /nfs/dbraw/zinc/95/86/74/566958674.db2.gz DELUQJAIJYPWRH-UHFFFAOYSA-N -1 3 393.172 3.294 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493890486 566959060 /nfs/dbraw/zinc/95/90/60/566959060.db2.gz DXQPIOZEFGGARO-LLVKDONJSA-N -1 3 398.750 3.426 20 0 GGADHM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493892086 566959253 /nfs/dbraw/zinc/95/92/53/566959253.db2.gz SGRSMIOPMSFXHC-ZDUSSCGKSA-N -1 3 375.918 3.206 20 0 GGADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429865321 566959406 /nfs/dbraw/zinc/95/94/06/566959406.db2.gz HFJYVJSDABNKGH-BXKDBHETSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429865326 566959552 /nfs/dbraw/zinc/95/95/52/566959552.db2.gz HFJYVJSDABNKGH-SKDRFNHKSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC[C@@H]1O ZINC000493917640 566959932 /nfs/dbraw/zinc/95/99/32/566959932.db2.gz SVKXVZIBRUWQER-GXTWGEPZSA-N -1 3 396.734 3.322 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2c3cccc(Br)c3CC2(C)C)on1 ZINC000583541180 566960027 /nfs/dbraw/zinc/96/00/27/566960027.db2.gz FKSSQYIKRSFHHS-HNNXBMFYSA-N -1 3 399.310 3.489 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493904017 566960148 /nfs/dbraw/zinc/96/01/48/566960148.db2.gz BZHKHOAIYVPKTO-NXEZZACHSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493904020 566960739 /nfs/dbraw/zinc/96/07/39/566960739.db2.gz BZHKHOAIYVPKTO-ZJUUUORDSA-N -1 3 384.723 3.178 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cccc(F)c2)cc(C(F)(F)F)c1 ZINC000471562579 566960681 /nfs/dbraw/zinc/96/06/81/566960681.db2.gz IKIKKIVHOKAVCJ-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429866967 566960928 /nfs/dbraw/zinc/96/09/28/566960928.db2.gz KZZLSPALRSTPSS-RNCFNFMXSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1 ZINC000471576659 566961037 /nfs/dbraw/zinc/96/10/37/566961037.db2.gz DPZDLGKHXFVXDS-LBPRGKRZSA-N -1 3 387.910 3.289 20 0 GGADHM CC[C@H]1CCCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471560835 566961060 /nfs/dbraw/zinc/96/10/60/566961060.db2.gz SGHRBFGHOLYTTH-AWEZNQCLSA-N -1 3 378.416 3.482 20 0 GGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1cccc(Cl)c1Br ZINC000493915443 566961116 /nfs/dbraw/zinc/96/11/16/566961116.db2.gz DSHVQFPPMQNMET-SNVBAGLBSA-N -1 3 382.707 3.340 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccncc1 ZINC000656872999 566961360 /nfs/dbraw/zinc/96/13/60/566961360.db2.gz AGSKNFYXEMEOTA-MYJAWHEDSA-N -1 3 376.322 3.269 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@H]1C1CC1 ZINC000429876373 566961326 /nfs/dbraw/zinc/96/13/26/566961326.db2.gz GWNNMODFOZUUSP-UONOGXRCSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CN1C1CC1 ZINC000429874648 566961483 /nfs/dbraw/zinc/96/14/83/566961483.db2.gz WZZWPIUHPWBWNP-ONGXEEELSA-N -1 3 393.734 3.006 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)CCc3ccccc3Cl)CCCCC2)no1 ZINC000656870867 566961379 /nfs/dbraw/zinc/96/13/79/566961379.db2.gz DCBBJYZLCZTVIM-UHFFFAOYSA-N -1 3 383.901 3.353 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1nc2c(s1)CCC2 ZINC000583553714 566962088 /nfs/dbraw/zinc/96/20/88/566962088.db2.gz NZNPKIGMAIEROP-ZETCQYMHSA-N -1 3 393.353 3.495 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)[C@@H]2CCCO[C@@H]21 ZINC000681255471 566962066 /nfs/dbraw/zinc/96/20/66/566962066.db2.gz KOUTZQYXCZRIHF-GDLCADMTSA-N -1 3 392.290 3.070 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1Br ZINC000429878282 566962315 /nfs/dbraw/zinc/96/23/15/566962315.db2.gz FVJLNSNSYIADKK-NSHDSACASA-N -1 3 394.674 3.098 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493935506 566962381 /nfs/dbraw/zinc/96/23/81/566962381.db2.gz IJPGUTSPJQISMN-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493923438 566962507 /nfs/dbraw/zinc/96/25/07/566962507.db2.gz BMHMWGFEBYJXED-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429885532 566963068 /nfs/dbraw/zinc/96/30/68/566963068.db2.gz DNACBZAIWGHRDD-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1cccc(Cl)c1Br ZINC000493945970 566964183 /nfs/dbraw/zinc/96/41/83/566964183.db2.gz WIUCYMMACYYXKI-LBPRGKRZSA-N -1 3 390.686 3.114 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493959597 566964109 /nfs/dbraw/zinc/96/41/09/566964109.db2.gz FAYPYWRFZQZDSG-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-]CCC1CCOCC1)c1cccc(Cl)c1Br ZINC000493960555 566964162 /nfs/dbraw/zinc/96/41/62/566964162.db2.gz MKDLNYKGLABGDR-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C1CC1 ZINC000471592591 566964418 /nfs/dbraw/zinc/96/44/18/566964418.db2.gz GBSXSPOKRUEKQK-UHFFFAOYSA-N -1 3 399.713 3.004 20 0 GGADHM CSc1cc2c(cc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)OCCO2 ZINC000519749903 566965160 /nfs/dbraw/zinc/96/51/60/566965160.db2.gz HXSGMFQLGSDHBQ-SCLBCKFNSA-N -1 3 377.487 3.478 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000583592450 566965172 /nfs/dbraw/zinc/96/51/72/566965172.db2.gz IYODBAOWCVOJKS-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1cnn(C)c1 ZINC000471616053 566965580 /nfs/dbraw/zinc/96/55/80/566965580.db2.gz BEBDCVZUIMEIGG-ZETCQYMHSA-N -1 3 396.669 3.015 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)on1 ZINC000656884708 566965656 /nfs/dbraw/zinc/96/56/56/566965656.db2.gz MNKUSEACUBQWMC-UHFFFAOYSA-N -1 3 389.271 3.013 20 0 GGADHM COCC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1 ZINC000493965365 566965906 /nfs/dbraw/zinc/96/59/06/566965906.db2.gz POPLWRASIRWBON-UHFFFAOYSA-N -1 3 382.233 3.155 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]Cc1sccc1Br)C1CCCC1 ZINC000656886849 566966073 /nfs/dbraw/zinc/96/60/73/566966073.db2.gz ADTAQRWEWMISHO-GFCCVEGCSA-N -1 3 382.345 3.135 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1sccc1Br)C1CCCC1 ZINC000656886850 566966170 /nfs/dbraw/zinc/96/61/70/566966170.db2.gz ADTAQRWEWMISHO-LBPRGKRZSA-N -1 3 382.345 3.135 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCN1C ZINC000471614260 566966237 /nfs/dbraw/zinc/96/62/37/566966237.db2.gz TXUGNVAFRKAGMZ-RKDXNWHRSA-N -1 3 399.713 3.003 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)no1 ZINC000656885925 566966242 /nfs/dbraw/zinc/96/62/42/566966242.db2.gz PXYFXNFUFBZUMX-UHFFFAOYSA-N -1 3 389.271 3.013 20 0 GGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493967089 566966436 /nfs/dbraw/zinc/96/64/36/566966436.db2.gz FAFGZFQZOFMNDK-WDEREUQCSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1cc(Cl)ccc1Br ZINC000429914689 566966490 /nfs/dbraw/zinc/96/64/90/566966490.db2.gz SNOMSRNFOWSDKU-NSHDSACASA-N -1 3 382.707 3.340 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cl)c(F)cc1Br ZINC000583606121 566966877 /nfs/dbraw/zinc/96/68/77/566966877.db2.gz SMFWBWLSONYHMF-GFCCVEGCSA-N -1 3 388.624 3.490 20 0 GGADHM CN(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CCCCC1 ZINC000471625754 566967008 /nfs/dbraw/zinc/96/70/08/566967008.db2.gz HBNJUWXQMGOWMC-UHFFFAOYSA-N -1 3 378.416 3.482 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C1CCCCC1 ZINC000656891544 566967483 /nfs/dbraw/zinc/96/74/83/566967483.db2.gz RHGOXHUWDRQQGF-MRXNPFEDSA-N -1 3 384.567 3.290 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1CCSCC1 ZINC000656890056 566967500 /nfs/dbraw/zinc/96/75/00/566967500.db2.gz DVHOFZLAXJTOEE-UHFFFAOYSA-N -1 3 394.356 3.412 20 0 GGADHM COCCSCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000519769249 566967797 /nfs/dbraw/zinc/96/77/97/566967797.db2.gz VHHDIOZRTUTAPT-OAHLLOKOSA-N -1 3 388.327 3.030 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCOCC1 ZINC000493991957 566968118 /nfs/dbraw/zinc/96/81/18/566968118.db2.gz JZZSWOAWLXRBQR-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)CCc1ccccc1Cl)c1nc(C2CC2)no1 ZINC000656893946 566968491 /nfs/dbraw/zinc/96/84/91/566968491.db2.gz KBMVSOLUDAERFB-OAHLLOKOSA-N -1 3 383.901 3.460 20 0 GGADHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000494042730 566968598 /nfs/dbraw/zinc/96/85/98/566968598.db2.gz VYZBUGHNYILCBT-UHFFFAOYSA-N -1 3 386.832 3.177 20 0 GGADHM CC[C@](C)(NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nccs1 ZINC000429950985 566969384 /nfs/dbraw/zinc/96/93/84/566969384.db2.gz UBGWUDNZHAOHBO-HNNXBMFYSA-N -1 3 394.298 3.422 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Br)c2C)CCCC1 ZINC000519795017 566969432 /nfs/dbraw/zinc/96/94/32/566969432.db2.gz XQAHXTPBYJKPTF-UHFFFAOYSA-N -1 3 390.299 3.233 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC000494062805 566969779 /nfs/dbraw/zinc/96/97/79/566969779.db2.gz NECSWDHPZYDKDB-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)COc2ccc(F)cc2Cl)ccc1F ZINC000494046748 566969832 /nfs/dbraw/zinc/96/98/32/566969832.db2.gz CHQMVDMVASKPMU-UHFFFAOYSA-N -1 3 390.795 3.007 20 0 GGADHM CCc1ccc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429947721 566969915 /nfs/dbraw/zinc/96/99/15/566969915.db2.gz OZJWXPYJMZHNNY-UHFFFAOYSA-N -1 3 379.283 3.464 20 0 GGADHM C[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000544569936 566970041 /nfs/dbraw/zinc/97/00/41/566970041.db2.gz KGPKASYRGRWCLZ-AWEZNQCLSA-N -1 3 378.519 3.347 20 0 GGADHM CC(C)([N-]S(=O)(=O)Cc1cc(F)ccc1Br)c1nccs1 ZINC000656904774 566970263 /nfs/dbraw/zinc/97/02/63/566970263.db2.gz LIMQVNKGHCXBLV-UHFFFAOYSA-N -1 3 393.303 3.399 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1cc(F)cc(Cl)c1 ZINC000544599867 566970457 /nfs/dbraw/zinc/97/04/57/566970457.db2.gz OCTWKXAQMHHNSQ-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM CC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1c(C)noc1C ZINC000429957242 566970610 /nfs/dbraw/zinc/97/06/10/566970610.db2.gz YMNPSLQCHUJENS-CYBMUJFWSA-N -1 3 392.257 3.396 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)cs1 ZINC000429965863 566970875 /nfs/dbraw/zinc/97/08/75/566970875.db2.gz UCHMYIUESXGAQS-SECBINFHSA-N -1 3 394.298 3.420 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429963734 566971168 /nfs/dbraw/zinc/97/11/68/566971168.db2.gz AQMNLETUTZAVPF-LBPRGKRZSA-N -1 3 397.871 3.469 20 0 GGADHM COc1ccc(NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)c([O-])c1 ZINC000583665579 566971160 /nfs/dbraw/zinc/97/11/60/566971160.db2.gz DWZQTCNNTRGRDM-UHFFFAOYSA-N -1 3 390.233 3.403 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429964054 566971347 /nfs/dbraw/zinc/97/13/47/566971347.db2.gz METPSGPEENBWMT-SWLSCSKDSA-N -1 3 395.301 3.236 20 0 GGADHM CCc1nc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)cs1 ZINC000429965864 566971399 /nfs/dbraw/zinc/97/13/99/566971399.db2.gz UCHMYIUESXGAQS-VIFPVBQESA-N -1 3 394.298 3.420 20 0 GGADHM CCc1cnc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429963394 566971640 /nfs/dbraw/zinc/97/16/40/566971640.db2.gz LBUBBEQJGIZDTF-UHFFFAOYSA-N -1 3 394.298 3.202 20 0 GGADHM O=S(=O)(Cc1cc(F)ccc1Br)[N-]CC1(O)CCCCCC1 ZINC000656911369 566971932 /nfs/dbraw/zinc/97/19/32/566971932.db2.gz 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ZINC000564402687 566972632 /nfs/dbraw/zinc/97/26/32/566972632.db2.gz BTGIRHAFZLVENZ-UHFFFAOYSA-N -1 3 376.865 3.418 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H]1c1ccco1 ZINC000429977483 566973306 /nfs/dbraw/zinc/97/33/06/566973306.db2.gz XTJVTXKRUYDUSH-ZDUSSCGKSA-N -1 3 375.226 3.481 20 0 GGADHM CN(CCOc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429977783 566973344 /nfs/dbraw/zinc/97/33/44/566973344.db2.gz WBURENAJUGJHDM-UHFFFAOYSA-N -1 3 389.253 3.061 20 0 GGADHM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)NC1CCN(C2CC2)CC1 ZINC000544636789 566974458 /nfs/dbraw/zinc/97/44/58/566974458.db2.gz BGSBVMQDVQNNAG-UHFFFAOYSA-N -1 3 377.901 3.029 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000656921869 566975396 /nfs/dbraw/zinc/97/53/96/566975396.db2.gz QLOQMHUISGLZEP-NSHDSACASA-N -1 3 380.329 3.022 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3CCC(C)(C)C[C@@H]3C)cc2C1 ZINC000656928531 566976142 /nfs/dbraw/zinc/97/61/42/566976142.db2.gz RPLGABGDNYQERQ-WFASDCNBSA-N -1 3 384.567 3.146 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC(C)(C)C[C@H]3C)cc2C1 ZINC000656928527 566976334 /nfs/dbraw/zinc/97/63/34/566976334.db2.gz RPLGABGDNYQERQ-IUODEOHRSA-N -1 3 384.567 3.146 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000471780973 566976719 /nfs/dbraw/zinc/97/67/19/566976719.db2.gz NQFBASCKXWQXRH-INIZCTEOSA-N -1 3 383.491 3.204 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Br)c1cncc(Cl)c1 ZINC000430037628 566977678 /nfs/dbraw/zinc/97/76/78/566977678.db2.gz VHFSSLRRUVKHEM-GXTWGEPZSA-N -1 3 387.686 3.332 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000471793651 566977565 /nfs/dbraw/zinc/97/75/65/566977565.db2.gz PCCOYSXSQXAAQW-DZGCQCFKSA-N -1 3 391.530 3.112 20 0 GGADHM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000519885766 566977522 /nfs/dbraw/zinc/97/75/22/566977522.db2.gz BHXJNEMMMCRTJH-UHFFFAOYSA-N -1 3 380.897 3.419 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1csc(-c2ccco2)n1)C1CCCCC1 ZINC000656937534 566977747 /nfs/dbraw/zinc/97/77/47/566977747.db2.gz SBZCSDZVBDYTIT-INIZCTEOSA-N -1 3 384.523 3.418 20 0 GGADHM CNC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000544652645 566978096 /nfs/dbraw/zinc/97/80/96/566978096.db2.gz PHBBKFUGDMQTLJ-UHFFFAOYSA-N -1 3 380.897 3.076 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000656936519 566978338 /nfs/dbraw/zinc/97/83/38/566978338.db2.gz LXIOZKBHRCKADU-ZETCQYMHSA-N -1 3 388.205 3.063 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2)c1Cl ZINC000519930802 566978721 /nfs/dbraw/zinc/97/87/21/566978721.db2.gz RVJCATLKKFOJGQ-SECBINFHSA-N -1 3 391.242 3.217 20 0 GGADHM CCC1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000471787322 566978612 /nfs/dbraw/zinc/97/86/12/566978612.db2.gz MMFUNHBZRNLFRL-UHFFFAOYSA-N -1 3 378.416 3.339 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)C(=O)NCC3)c1Cl ZINC000544674449 566980096 /nfs/dbraw/zinc/98/00/96/566980096.db2.gz PMIIUFQHLOSRHC-UHFFFAOYSA-N -1 3 399.299 3.066 20 0 GGADHM COCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)cs1 ZINC000519943740 566981021 /nfs/dbraw/zinc/98/10/21/566981021.db2.gz UFZUBZIHQBQMLA-UHFFFAOYSA-N -1 3 394.254 3.089 20 0 GGADHM O=S(=O)([N-][C@H](c1cccc(Cl)c1)c1ccccn1)c1cncc(F)c1 ZINC000471878640 566981742 /nfs/dbraw/zinc/98/17/42/566981742.db2.gz ZGPGGVRMUXJCND-QGZVFWFLSA-N -1 3 377.828 3.337 20 0 GGADHM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cncc(F)c1 ZINC000471878639 566981769 /nfs/dbraw/zinc/98/17/69/566981769.db2.gz ZGPGGVRMUXJCND-KRWDZBQOSA-N -1 3 377.828 3.337 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(C(F)(F)F)cn1 ZINC000430088066 566981849 /nfs/dbraw/zinc/98/18/49/566981849.db2.gz GCPKRPAEQGXKLT-UHFFFAOYSA-N -1 3 385.143 3.185 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(C)CCOCC1 ZINC000656942001 566981746 /nfs/dbraw/zinc/98/17/46/566981746.db2.gz AQUNUWHPVLKLLQ-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ncoc1C ZINC000656945298 566981995 /nfs/dbraw/zinc/98/19/95/566981995.db2.gz AEWZYERTNWXVMZ-UHFFFAOYSA-N -1 3 389.271 3.013 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)on1 ZINC000471877637 566982267 /nfs/dbraw/zinc/98/22/67/566982267.db2.gz SJSXZZPENKCTLF-QGZVFWFLSA-N -1 3 377.853 3.240 20 0 GGADHM O=C(COc1ccc(F)cc1Cl)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430114343 566983278 /nfs/dbraw/zinc/98/32/78/566983278.db2.gz QYRKNMAZSPLBPP-UHFFFAOYSA-N -1 3 398.619 3.329 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C)C1 ZINC000656949722 566983194 /nfs/dbraw/zinc/98/31/94/566983194.db2.gz VBESCRBLIZOCGN-AAEUAGOBSA-N -1 3 392.315 3.084 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)C(C)(C)O ZINC000656949255 566983240 /nfs/dbraw/zinc/98/32/40/566983240.db2.gz FLGXLUSPBBEJPO-UHFFFAOYSA-N -1 3 394.331 3.066 20 0 GGADHM O=C(Cc1ccc(OC(F)F)cc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430109187 566983397 /nfs/dbraw/zinc/98/33/97/566983397.db2.gz YBJUEKFHFCDPHL-UHFFFAOYSA-N -1 3 396.191 3.301 20 0 GGADHM Cc1nn(C)c2sc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc12 ZINC000430112085 566983565 /nfs/dbraw/zinc/98/35/65/566983565.db2.gz BFYKRYKPUXLQQE-UHFFFAOYSA-N -1 3 390.266 3.028 20 0 GGADHM COc1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(OC)n1 ZINC000681562661 566984659 /nfs/dbraw/zinc/98/46/59/566984659.db2.gz ZZCSPWZSYZOCKX-UHFFFAOYSA-N -1 3 376.356 3.060 20 0 GGADHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cc(C)c(C)s3)c2)CC1 ZINC000471916954 566984921 /nfs/dbraw/zinc/98/49/21/566984921.db2.gz XZRUXLLVYCBCHA-UHFFFAOYSA-N -1 3 379.551 3.308 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)s1 ZINC000520129734 566985957 /nfs/dbraw/zinc/98/59/57/566985957.db2.gz NFODPYPKKRVHDO-UHFFFAOYSA-N -1 3 399.973 3.321 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1Cc1ccccc1 ZINC000520124963 566986007 /nfs/dbraw/zinc/98/60/07/566986007.db2.gz SHMGJHAWVLICJY-OAHLLOKOSA-N -1 3 399.299 3.073 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccc(Cl)c2)s1 ZINC000520154725 566986300 /nfs/dbraw/zinc/98/63/00/566986300.db2.gz TXJHGDDRTWNDGR-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM CCC1CCC(N(C(=O)CC[N-]S(=O)(=O)c2cccs2)C2CC2)CC1 ZINC000520109743 566986593 /nfs/dbraw/zinc/98/65/93/566986593.db2.gz FKJZKPZCOPVBHK-UHFFFAOYSA-N -1 3 384.567 3.376 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NS(=O)(=O)c1cccc(Cl)c1 ZINC000564566312 566987317 /nfs/dbraw/zinc/98/73/17/566987317.db2.gz BBMIOGBVDAVJBJ-UHFFFAOYSA-N -1 3 383.260 3.012 20 0 GGADHM Cc1nc(NCc2c(F)ccc([O-])c2F)ccc1I ZINC000564567665 566987530 /nfs/dbraw/zinc/98/75/30/566987530.db2.gz IPAZXTIVSKAPBC-UHFFFAOYSA-N -1 3 376.144 3.012 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)cs1)C1CCCC1 ZINC000656975377 566987704 /nfs/dbraw/zinc/98/77/04/566987704.db2.gz LYNRIPKRTSHTNG-MWLCHTKSSA-N -1 3 386.461 3.348 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000656976920 566987935 /nfs/dbraw/zinc/98/79/35/566987935.db2.gz RBDHTBWZISBFMZ-LLVKDONJSA-N -1 3 394.356 3.269 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000544729299 566987932 /nfs/dbraw/zinc/98/79/32/566987932.db2.gz HCHAKFZVXMUKMU-ZCFIWIBFSA-N -1 3 383.829 3.141 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(Br)o1 ZINC000430133600 566988311 /nfs/dbraw/zinc/98/83/11/566988311.db2.gz AYWRSHLJSMFFTP-UHFFFAOYSA-N -1 3 385.015 3.127 20 0 GGADHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc(Br)o2)cn1 ZINC000544731808 566988613 /nfs/dbraw/zinc/98/86/13/566988613.db2.gz UKMKCLLGOMJEAK-UHFFFAOYSA-N -1 3 389.271 3.093 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)ccc1[O-] ZINC000430135126 566989359 /nfs/dbraw/zinc/98/93/59/566989359.db2.gz FHZSCMCJEJTFJS-CQSZACIVSA-N -1 3 378.266 3.044 20 0 GGADHM CCN(CC(F)(F)F)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471958757 566990295 /nfs/dbraw/zinc/99/02/95/566990295.db2.gz OPVLWYQMAGZXQT-UHFFFAOYSA-N -1 3 392.321 3.101 20 0 GGADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000494343931 566990515 /nfs/dbraw/zinc/99/05/15/566990515.db2.gz CCBNECDXRYAJNT-VIFPVBQESA-N -1 3 382.379 3.110 20 0 GGADHM CC[C@H](C)[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000564595568 566991164 /nfs/dbraw/zinc/99/11/64/566991164.db2.gz NSEVGENDXWXWPA-QWRGUYRKSA-N -1 3 381.325 3.070 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)c1cccc(Cl)c1 ZINC000656992899 566992621 /nfs/dbraw/zinc/99/26/21/566992621.db2.gz GZKQYJWCGXYXDA-IRXDYDNUSA-N -1 3 375.918 3.152 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]C[C@@]1(C)OCCc2sccc21)C1CCCCC1 ZINC000656991718 566993176 /nfs/dbraw/zinc/99/31/76/566993176.db2.gz WNRZXMMFHYOMEG-SJLPKXTDSA-N -1 3 387.567 3.051 20 0 GGADHM C[C@H](Oc1cccc(F)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430161294 566994124 /nfs/dbraw/zinc/99/41/24/566994124.db2.gz HXADNSOSVSGZCC-JTQLQIEISA-N -1 3 378.201 3.064 20 0 GGADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472024550 566994981 /nfs/dbraw/zinc/99/49/81/566994981.db2.gz HGMCSXOOHVUWTR-PHIMTYICSA-N -1 3 378.416 3.480 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cc(Cl)ccn2)cc(C(F)(F)F)c1 ZINC000472020347 566995297 /nfs/dbraw/zinc/99/52/97/566995297.db2.gz DTAJNNKBJCHPQK-UHFFFAOYSA-N -1 3 393.774 3.378 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)O ZINC000657004156 566995776 /nfs/dbraw/zinc/99/57/76/566995776.db2.gz XZOXSABZBROVSA-NSHDSACASA-N -1 3 394.331 3.066 20 0 GGADHM CSc1nnc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)[n-]1 ZINC000520340972 566996966 /nfs/dbraw/zinc/99/69/66/566996966.db2.gz GEEAPNCSAGAATR-UHFFFAOYSA-N -1 3 377.857 3.418 20 0 GGADHM CSc1n[n-]c(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)n1 ZINC000520340972 566996972 /nfs/dbraw/zinc/99/69/72/566996972.db2.gz GEEAPNCSAGAATR-UHFFFAOYSA-N -1 3 377.857 3.418 20 0 GGADHM CSc1nc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)n[n-]1 ZINC000520340972 566996977 /nfs/dbraw/zinc/99/69/77/566996977.db2.gz GEEAPNCSAGAATR-UHFFFAOYSA-N -1 3 377.857 3.418 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1CC ZINC000657012111 566998248 /nfs/dbraw/zinc/99/82/48/566998248.db2.gz WJTRRTATUHBENQ-OLZOCXBDSA-N -1 3 392.315 3.084 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)CCC(F)(F)F ZINC000494406072 566998576 /nfs/dbraw/zinc/99/85/76/566998576.db2.gz OZBNPGAJTAQYHU-UHFFFAOYSA-N -1 3 376.803 3.032 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)ccc1F ZINC000544835476 566998689 /nfs/dbraw/zinc/99/86/89/566998689.db2.gz AWOMYGHRWAXVTJ-UHFFFAOYSA-N -1 3 382.379 3.328 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC[C@@H]3C(C)(C)C)cc2C1 ZINC000657013954 566998709 /nfs/dbraw/zinc/99/87/09/566998709.db2.gz BQDONYNMWIAVII-LSDHHAIUSA-N -1 3 384.567 3.146 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2ccc3n[n-]nc3c2)c1 ZINC000430198442 566998854 /nfs/dbraw/zinc/99/88/54/566998854.db2.gz YKZIVQMNJMNVAW-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000681689330 566999041 /nfs/dbraw/zinc/99/90/41/566999041.db2.gz XOURTIQFFGVYNW-DGCLKSJQSA-N -1 3 395.855 3.221 20 0 GGADHM Cc1nc2ccc(NC(=O)c3ccc(I)c([O-])c3)cc2[nH]1 ZINC000544832209 566999652 /nfs/dbraw/zinc/99/96/52/566999652.db2.gz GGUFBXQDVBTYEF-UHFFFAOYSA-N -1 3 393.184 3.434 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000681689331 566999735 /nfs/dbraw/zinc/99/97/35/566999735.db2.gz XOURTIQFFGVYNW-WCQYABFASA-N -1 3 395.855 3.221 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)s1 ZINC000681689818 566999983 /nfs/dbraw/zinc/99/99/83/566999983.db2.gz REODBQSVMUOHHI-SECBINFHSA-N -1 3 390.889 3.216 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]CC(=O)c1c(Cl)cccc1Cl ZINC000657028391 567001146 /nfs/dbraw/zinc/00/11/46/567001146.db2.gz NEZKGGHKHILRKT-LLVKDONJSA-N -1 3 382.309 3.157 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000657028278 567001271 /nfs/dbraw/zinc/00/12/71/567001271.db2.gz CUBGLCLMILLGNN-HNNXBMFYSA-N -1 3 394.320 3.301 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccncc1C ZINC000681694820 567001393 /nfs/dbraw/zinc/00/13/93/567001393.db2.gz NMNHXTWZGKKHSG-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000520382015 567001435 /nfs/dbraw/zinc/00/14/35/567001435.db2.gz RFIIDSATUZHWDK-SNVBAGLBSA-N -1 3 395.893 3.255 20 0 GGADHM CC[C@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000520375185 567001712 /nfs/dbraw/zinc/00/17/12/567001712.db2.gz ZDTDJVWIBSWHMU-NSHDSACASA-N -1 3 379.309 3.063 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]CC(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000657028279 567001834 /nfs/dbraw/zinc/00/18/34/567001834.db2.gz CUBGLCLMILLGNN-OAHLLOKOSA-N -1 3 394.320 3.301 20 0 GGADHM COc1ccc(CNc2cccnc2-n2cccn2)c(Br)c1[O-] ZINC000544871772 567002763 /nfs/dbraw/zinc/00/27/63/567002763.db2.gz NCLAZHNVBMNFPQ-UHFFFAOYSA-N -1 3 375.226 3.356 20 0 GGADHM COc1cc(CNc2cc(OC(F)F)n(C)n2)cc(Br)c1[O-] ZINC000494457818 567003322 /nfs/dbraw/zinc/00/33/22/567003322.db2.gz SFXASJSYRYDATN-UHFFFAOYSA-N -1 3 378.173 3.110 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c1 ZINC000544907661 567005749 /nfs/dbraw/zinc/00/57/49/567005749.db2.gz IZPXESAGNWJRDH-UHFFFAOYSA-N -1 3 399.259 3.401 20 0 GGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000452687910 567006088 /nfs/dbraw/zinc/00/60/88/567006088.db2.gz NMLWIBBEQMUTPS-PHIMTYICSA-N -1 3 391.599 3.076 20 0 GGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000452687910 567006095 /nfs/dbraw/zinc/00/60/95/567006095.db2.gz NMLWIBBEQMUTPS-PHIMTYICSA-N -1 3 391.599 3.076 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)cc1Cl ZINC000657050066 567007447 /nfs/dbraw/zinc/00/74/47/567007447.db2.gz IDOMFRVNBHTPSE-AMIZOPFISA-N -1 3 380.691 3.332 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520507974 567008231 /nfs/dbraw/zinc/00/82/31/567008231.db2.gz WBKGTQDAAMZOBU-HUUCEWRRSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520507974 567008238 /nfs/dbraw/zinc/00/82/38/567008238.db2.gz WBKGTQDAAMZOBU-HUUCEWRRSA-N -1 3 384.237 3.371 20 0 GGADHM CCC(C)(C)[C@@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000584053288 567008862 /nfs/dbraw/zinc/00/88/62/567008862.db2.gz FRCUQJDOARILER-LBPRGKRZSA-N -1 3 379.213 3.409 20 0 GGADHM O=S(=O)([N-]Cc1ccncc1OCC(F)(F)F)c1ccc(Cl)cc1F ZINC000544940088 567009347 /nfs/dbraw/zinc/00/93/47/567009347.db2.gz QXXYPKDRMKGTRU-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CC[C@@H](C2CCOCC2)C1 ZINC000564804220 567009411 /nfs/dbraw/zinc/00/94/11/567009411.db2.gz UYOODAFHJVNUKB-WBMJQRKESA-N -1 3 386.261 3.462 20 0 GGADHM O=S(=O)([N-]CCOCC(F)F)c1csc(-c2ccc(Cl)cc2)n1 ZINC000472208730 567009867 /nfs/dbraw/zinc/00/98/67/567009867.db2.gz VISRNYRUCHVBML-UHFFFAOYSA-N -1 3 382.841 3.024 20 0 GGADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1cc(Br)cc2c1OCC2 ZINC000520545463 567010077 /nfs/dbraw/zinc/01/00/77/567010077.db2.gz LHCRBTMAJAUUGG-UHFFFAOYSA-N -1 3 396.253 3.098 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000657070593 567010520 /nfs/dbraw/zinc/01/05/20/567010520.db2.gz RSWDGWBZNQFYCS-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1cc(Cl)ccc1Cl ZINC000657070651 567010749 /nfs/dbraw/zinc/01/07/49/567010749.db2.gz SWPLFXBPMQSKGA-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CNC(=O)CCC1CCCC1 ZINC000452745280 567010765 /nfs/dbraw/zinc/01/07/65/567010765.db2.gz DXSQEQWPJINXFC-UHFFFAOYSA-N -1 3 383.286 3.488 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1ccc(C(F)(F)F)s1 ZINC000657069385 567011262 /nfs/dbraw/zinc/01/12/62/567011262.db2.gz SHJNIBRKFKLYAM-UHFFFAOYSA-N -1 3 391.440 3.241 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1CCO)c1csc(-c2ccc(Cl)cc2)n1 ZINC000494595316 567011859 /nfs/dbraw/zinc/01/18/59/567011859.db2.gz MMCDRERQZZYKKZ-BXUZGUMPSA-N -1 3 386.926 3.293 20 0 GGADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472262090 567012636 /nfs/dbraw/zinc/01/26/36/567012636.db2.gz SYDANQVTHKVKMO-IINYFYTJSA-N -1 3 378.416 3.338 20 0 GGADHM COc1cccc(OC)c1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000657079174 567012999 /nfs/dbraw/zinc/01/29/99/567012999.db2.gz BJLSYVNBSLIOLD-UHFFFAOYSA-N -1 3 375.368 3.201 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)COCc1ccccc1 ZINC000657084103 567013062 /nfs/dbraw/zinc/01/30/62/567013062.db2.gz IRIIJDBQYMTLPW-INIZCTEOSA-N -1 3 389.926 3.302 20 0 GGADHM C[C@@H](N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1(C)CC1 ZINC000472270168 567014692 /nfs/dbraw/zinc/01/46/92/567014692.db2.gz UKCYSRJEIRHFBY-SNVBAGLBSA-N -1 3 378.416 3.338 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000494650092 567014979 /nfs/dbraw/zinc/01/49/79/567014979.db2.gz RQPUWJLOOQLKHR-CABCVRRESA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000494650092 567014983 /nfs/dbraw/zinc/01/49/83/567014983.db2.gz RQPUWJLOOQLKHR-CABCVRRESA-N -1 3 384.237 3.371 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000452760231 567015503 /nfs/dbraw/zinc/01/55/03/567015503.db2.gz VMTVHCTVIPPVSA-UHFFFAOYSA-N -1 3 390.299 3.149 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1F)c1cc(Br)ccc1F ZINC000520633235 567015486 /nfs/dbraw/zinc/01/54/86/567015486.db2.gz KQCCYAJXHIXPAJ-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000494650094 567015737 /nfs/dbraw/zinc/01/57/37/567015737.db2.gz RQPUWJLOOQLKHR-HUUCEWRRSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000494650094 567015742 /nfs/dbraw/zinc/01/57/42/567015742.db2.gz RQPUWJLOOQLKHR-HUUCEWRRSA-N -1 3 384.237 3.371 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1cccc(OC)c1 ZINC000657109198 567015974 /nfs/dbraw/zinc/01/59/74/567015974.db2.gz RVLZKUUKCCBDPC-HNNXBMFYSA-N -1 3 385.869 3.023 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc(OC)c1 ZINC000657109475 567016186 /nfs/dbraw/zinc/01/61/86/567016186.db2.gz USYYMBBNFIXGFZ-LBPRGKRZSA-N -1 3 395.424 3.442 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(Cl)cc1Cl)c1cc(F)cc(F)c1 ZINC000472293498 567016235 /nfs/dbraw/zinc/01/62/35/567016235.db2.gz BCOVWOCVLUXVFD-UHFFFAOYSA-N -1 3 382.219 3.057 20 0 GGADHM CC[C@H]1CCC[C@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472325066 567019353 /nfs/dbraw/zinc/01/93/53/567019353.db2.gz HNNZCKFQSISEDT-IINYFYTJSA-N -1 3 378.416 3.385 20 0 GGADHM CCO[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H]1C ZINC000452821365 567019914 /nfs/dbraw/zinc/01/99/14/567019914.db2.gz IMVHDIBKKHHOMM-BDJLRTHQSA-N -1 3 393.281 3.178 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000584195511 567020260 /nfs/dbraw/zinc/02/02/60/567020260.db2.gz FMFSQAIQNKZHMY-SMDDNHRTSA-N -1 3 381.523 3.021 20 0 GGADHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430567072 567020431 /nfs/dbraw/zinc/02/04/31/567020431.db2.gz INZNOGPKESNRHU-ZKANADHPSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430567072 567020435 /nfs/dbraw/zinc/02/04/35/567020435.db2.gz INZNOGPKESNRHU-ZKANADHPSA-N -1 3 399.672 3.241 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000682000050 567020920 /nfs/dbraw/zinc/02/09/20/567020920.db2.gz XJGMAZNXRHXSDV-UHFFFAOYSA-N -1 3 378.519 3.045 20 0 GGADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430567071 567021167 /nfs/dbraw/zinc/02/11/67/567021167.db2.gz INZNOGPKESNRHU-VPTHRUTESA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430567071 567021170 /nfs/dbraw/zinc/02/11/70/567021170.db2.gz INZNOGPKESNRHU-VPTHRUTESA-N -1 3 399.672 3.241 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000657132939 567021197 /nfs/dbraw/zinc/02/11/97/567021197.db2.gz AFPPHPOPKQJUEP-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM COCCN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000430569872 567021390 /nfs/dbraw/zinc/02/13/90/567021390.db2.gz JIAAABBPMCFARC-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM COCCN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CC1 ZINC000430569872 567021395 /nfs/dbraw/zinc/02/13/95/567021395.db2.gz JIAAABBPMCFARC-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c(F)c1 ZINC000681998468 567021544 /nfs/dbraw/zinc/02/15/44/567021544.db2.gz KSBBMKGWYVJFHY-UHFFFAOYSA-N -1 3 377.315 3.255 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)n[nH]1 ZINC000682000699 567021622 /nfs/dbraw/zinc/02/16/22/567021622.db2.gz GCJWUNZKDYLZSQ-UHFFFAOYSA-N -1 3 399.097 3.266 20 0 GGADHM Cc1cnccc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430552529 567021693 /nfs/dbraw/zinc/02/16/93/567021693.db2.gz RYQHOQRZNUTSSY-UHFFFAOYSA-N -1 3 392.640 3.322 20 0 GGADHM Cc1cnccc1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430552529 567021697 /nfs/dbraw/zinc/02/16/97/567021697.db2.gz RYQHOQRZNUTSSY-UHFFFAOYSA-N -1 3 392.640 3.322 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000657134157 567021845 /nfs/dbraw/zinc/02/18/45/567021845.db2.gz KYZKXAXWCYTITK-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1cccc(C)c1 ZINC000520740533 567022113 /nfs/dbraw/zinc/02/21/13/567022113.db2.gz SKUHACCOTAAUTO-ZDUSSCGKSA-N -1 3 387.910 3.020 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ccon1 ZINC000430583528 567022292 /nfs/dbraw/zinc/02/22/92/567022292.db2.gz MTYYYHXMALEYOR-SSDOTTSWSA-N -1 3 396.628 3.423 20 0 GGADHM C[C@@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])c1ccon1 ZINC000430583528 567022298 /nfs/dbraw/zinc/02/22/98/567022298.db2.gz MTYYYHXMALEYOR-SSDOTTSWSA-N -1 3 396.628 3.423 20 0 GGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1sccc1OC)c1ccccc1C ZINC000472347526 567022395 /nfs/dbraw/zinc/02/23/95/567022395.db2.gz PDPVEDAXGXGKSA-AWEZNQCLSA-N -1 3 383.491 3.038 20 0 GGADHM O=C(NCC1(N2CCSCC2)CCCC1)c1cccc(Br)c1[O-] ZINC000520735591 567022345 /nfs/dbraw/zinc/02/23/45/567022345.db2.gz OCNFQOKTVAGINW-UHFFFAOYSA-N -1 3 399.354 3.246 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)CCCC1 ZINC000584204756 567022749 /nfs/dbraw/zinc/02/27/49/567022749.db2.gz ZVQQRURVKVPBHV-UHFFFAOYSA-N -1 3 383.363 3.320 20 0 GGADHM CC(C)(F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000657141990 567023440 /nfs/dbraw/zinc/02/34/40/567023440.db2.gz ZGNLZWHYZHWAKT-GFCCVEGCSA-N -1 3 379.881 3.172 20 0 GGADHM C[C@H]1COCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430587358 567023572 /nfs/dbraw/zinc/02/35/72/567023572.db2.gz VSSJAPCFWCZKIM-SECBINFHSA-N -1 3 399.672 3.053 20 0 GGADHM C[C@H]1COCCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000430587358 567023580 /nfs/dbraw/zinc/02/35/80/567023580.db2.gz VSSJAPCFWCZKIM-SECBINFHSA-N -1 3 399.672 3.053 20 0 GGADHM Cc1sccc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000634212951 567023691 /nfs/dbraw/zinc/02/36/91/567023691.db2.gz AWGRPPCGZFPWPB-UHFFFAOYSA-N -1 3 388.561 3.108 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)cs1 ZINC000494821426 567024981 /nfs/dbraw/zinc/02/49/81/567024981.db2.gz HEBGKRDBOARTAA-VIFPVBQESA-N -1 3 384.299 3.259 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C[C@H]1C ZINC000472427942 567025371 /nfs/dbraw/zinc/02/53/71/567025371.db2.gz FJSOTYIDXGGQCY-GHMZBOCLSA-N -1 3 378.416 3.195 20 0 GGADHM O=S(=O)(Cc1nc(-c2ccc([O-])cc2)no1)c1cccc(Br)c1 ZINC000545175128 567026398 /nfs/dbraw/zinc/02/63/98/567026398.db2.gz GYWRQXCROBEZKI-UHFFFAOYSA-N -1 3 395.234 3.179 20 0 GGADHM CC1(C)CC[C@@H](NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000472438462 567027172 /nfs/dbraw/zinc/02/71/72/567027172.db2.gz GTNHXDHQOFATNR-GFCCVEGCSA-N -1 3 378.416 3.385 20 0 GGADHM CO[C@@H](C)CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430652095 567027849 /nfs/dbraw/zinc/02/78/49/567027849.db2.gz MMCINSGEHZWKOK-QMMMGPOBSA-N -1 3 387.661 3.099 20 0 GGADHM CO[C@@H](C)CCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430652095 567027856 /nfs/dbraw/zinc/02/78/56/567027856.db2.gz MMCINSGEHZWKOK-QMMMGPOBSA-N -1 3 387.661 3.099 20 0 GGADHM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C(C)(F)F ZINC000452883614 567029026 /nfs/dbraw/zinc/02/90/26/567029026.db2.gz YSQXMOWCPCEYBM-VIFPVBQESA-N -1 3 394.490 3.062 20 0 GGADHM COc1cccc(C2(C(=O)N=c3[n-]n(C)cc3Br)CCCC2)c1 ZINC000565006766 567029380 /nfs/dbraw/zinc/02/93/80/567029380.db2.gz UPDMSIUXEDCHIP-UHFFFAOYSA-N -1 3 378.270 3.064 20 0 GGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000584282499 567029382 /nfs/dbraw/zinc/02/93/82/567029382.db2.gz UVCOKCVSSCYAQK-BDJLRTHQSA-N -1 3 385.844 3.308 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CCCCC2)C1)c1sccc1Br ZINC000657160265 567029460 /nfs/dbraw/zinc/02/94/60/567029460.db2.gz FHOJOFZZIVIWFJ-NSHDSACASA-N -1 3 393.372 3.196 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1cccc(Cl)c1F ZINC000584309196 567030755 /nfs/dbraw/zinc/03/07/55/567030755.db2.gz USNHWQJJBXQTCD-JTQLQIEISA-N -1 3 378.252 3.187 20 0 GGADHM CCOCCOc1ccc(Br)cc1NC(=O)Cc1cncc([O-])c1 ZINC000613326624 567031380 /nfs/dbraw/zinc/03/13/80/567031380.db2.gz NWWQQUIPMWWEQT-UHFFFAOYSA-N -1 3 395.253 3.146 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000545219144 567031421 /nfs/dbraw/zinc/03/14/21/567031421.db2.gz VSKWZJIXNMYJSR-CVEARBPZSA-N -1 3 394.320 3.486 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000682151634 567033914 /nfs/dbraw/zinc/03/39/14/567033914.db2.gz KYLZVZFBVQPPRD-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000682151634 567033920 /nfs/dbraw/zinc/03/39/20/567033920.db2.gz KYLZVZFBVQPPRD-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000682151634 567033921 /nfs/dbraw/zinc/03/39/21/567033921.db2.gz KYLZVZFBVQPPRD-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000682155783 567034882 /nfs/dbraw/zinc/03/48/82/567034882.db2.gz DOFHGYMEKVPFTE-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000682155783 567034887 /nfs/dbraw/zinc/03/48/87/567034887.db2.gz DOFHGYMEKVPFTE-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000682155783 567034896 /nfs/dbraw/zinc/03/48/96/567034896.db2.gz DOFHGYMEKVPFTE-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM Cc1cc([N-]C(=O)c2sccc2S(=O)(=O)N2CCSCC2)cs1 ZINC000634425591 567035405 /nfs/dbraw/zinc/03/54/05/567035405.db2.gz PWAJGOIWXIKRAL-UHFFFAOYSA-N -1 3 388.561 3.108 20 0 GGADHM CCOC(=O)c1cc([N-]C(=O)c2csc(S(C)(=O)=O)c2)c(F)cc1C ZINC000565081487 567036011 /nfs/dbraw/zinc/03/60/11/567036011.db2.gz WHMKBHHJXDDNNR-UHFFFAOYSA-N -1 3 385.438 3.028 20 0 GGADHM CN(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000682256686 567038567 /nfs/dbraw/zinc/03/85/67/567038567.db2.gz OCDSNVRNCCIVBC-VXGBXAGGSA-N -1 3 399.713 3.003 20 0 GGADHM CN(C)S(=O)(=O)c1ccc2nc(-c3nc4ccc(F)cc4s3)[n-]c2c1 ZINC000430892516 567039042 /nfs/dbraw/zinc/03/90/42/567039042.db2.gz FUNNIMQABQEGPY-UHFFFAOYSA-N -1 3 376.438 3.229 20 0 GGADHM CN(C)S(=O)(=O)c1ccc2[n-]c(-c3nc4ccc(F)cc4s3)nc2c1 ZINC000430892516 567039046 /nfs/dbraw/zinc/03/90/46/567039046.db2.gz FUNNIMQABQEGPY-UHFFFAOYSA-N -1 3 376.438 3.229 20 0 GGADHM O=c1[n-]nc(SCc2cc(F)ccc2OC(F)F)n1C[C@H]1CCCO1 ZINC000657235159 567039671 /nfs/dbraw/zinc/03/96/71/567039671.db2.gz YWYRQINEGXDWIE-LLVKDONJSA-N -1 3 375.372 3.196 20 0 GGADHM C[C@@H]1CCCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000472603809 567041773 /nfs/dbraw/zinc/04/17/73/567041773.db2.gz NPPXORPDJVNNOY-LLVKDONJSA-N -1 3 378.416 3.339 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Br)o2)cc1Cl ZINC000545364856 567043206 /nfs/dbraw/zinc/04/32/06/567043206.db2.gz VJSVBOOHIUUQQI-UHFFFAOYSA-N -1 3 380.647 3.183 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000584449489 567043360 /nfs/dbraw/zinc/04/33/60/567043360.db2.gz CGVCBOXRFZGCHZ-UHFFFAOYSA-N -1 3 386.876 3.491 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)OC(C)C ZINC000472623996 567043350 /nfs/dbraw/zinc/04/33/50/567043350.db2.gz QXBKZVYIKLHTJJ-QGZVFWFLSA-N -1 3 384.885 3.188 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000521148033 567043561 /nfs/dbraw/zinc/04/35/61/567043561.db2.gz NUEGXZDEWXEEPM-ZBFHGGJFSA-N -1 3 380.535 3.415 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000521148032 567043911 /nfs/dbraw/zinc/04/39/11/567043911.db2.gz NUEGXZDEWXEEPM-HOCLYGCPSA-N -1 3 380.535 3.415 20 0 GGADHM CCC[C@@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000521132902 567044042 /nfs/dbraw/zinc/04/40/42/567044042.db2.gz WYJGFVFLIDXOEG-LLVKDONJSA-N -1 3 381.325 3.309 20 0 GGADHM Cn1nc2c(c1S(=O)(=O)[N-]c1cc(F)ccc1Br)CCCC2 ZINC000634657685 567045244 /nfs/dbraw/zinc/04/52/44/567045244.db2.gz WSPLZTITMPURLZ-UHFFFAOYSA-N -1 3 388.262 3.001 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000472689055 567045909 /nfs/dbraw/zinc/04/59/09/567045909.db2.gz GRKXUPFDUWHNOD-JKSUJKDBSA-N -1 3 381.519 3.419 20 0 GGADHM C[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1ccc(Br)cc1 ZINC000565191907 567045962 /nfs/dbraw/zinc/04/59/62/567045962.db2.gz XIJURQHZSGQRAI-JTQLQIEISA-N -1 3 392.253 3.019 20 0 GGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000613616815 567050222 /nfs/dbraw/zinc/05/02/22/567050222.db2.gz STMIVHVCGUABNF-ZDUSSCGKSA-N -1 3 379.503 3.015 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1)C(F)(F)F ZINC000565232635 567050573 /nfs/dbraw/zinc/05/05/73/567050573.db2.gz AYZQFESXBNCPRY-OAHLLOKOSA-N -1 3 381.416 3.147 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)s1 ZINC000431066821 567050676 /nfs/dbraw/zinc/05/06/76/567050676.db2.gz OFVPFRATHFFILB-QMMMGPOBSA-N -1 3 384.870 3.194 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000521288138 567052028 /nfs/dbraw/zinc/05/20/28/567052028.db2.gz NYBDEFNZZTXXJX-QWHCGFSZSA-N -1 3 396.559 3.332 20 0 GGADHM COc1ccc(F)c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)c1OC ZINC000472818033 567052905 /nfs/dbraw/zinc/05/29/05/567052905.db2.gz REWYCISXHXHARW-UHFFFAOYSA-N -1 3 387.816 3.152 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1C ZINC000521270261 567052910 /nfs/dbraw/zinc/05/29/10/567052910.db2.gz KKUWUTTZXXLFFI-UHFFFAOYSA-N -1 3 392.297 3.152 20 0 GGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cc1 ZINC000545467767 567053891 /nfs/dbraw/zinc/05/38/91/567053891.db2.gz AFGRBLYFRSOSDI-UHFFFAOYSA-N -1 3 378.416 3.213 20 0 GGADHM CCOc1ccc(Br)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000521365863 567056149 /nfs/dbraw/zinc/05/61/49/567056149.db2.gz DGUNFRLADHZSNC-UHFFFAOYSA-N -1 3 378.226 3.473 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000545491113 567056641 /nfs/dbraw/zinc/05/66/41/567056641.db2.gz AOBLQIGZWKKLKB-NSHDSACASA-N -1 3 383.491 3.390 20 0 GGADHM Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000613705844 567056740 /nfs/dbraw/zinc/05/67/40/567056740.db2.gz QVIFZCHBGOAXQY-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccc(OC)c(Cl)c1 ZINC000472946432 567056968 /nfs/dbraw/zinc/05/69/68/567056968.db2.gz AJHFDIUDAHEHII-MRXNPFEDSA-N -1 3 389.901 3.062 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])C1CCN(C(=O)N2CCCC2)CC1 ZINC000613705937 567057361 /nfs/dbraw/zinc/05/73/61/567057361.db2.gz XEZIAPVYKFWSOH-UHFFFAOYSA-N -1 3 396.285 3.021 20 0 GGADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000634785597 567058116 /nfs/dbraw/zinc/05/81/16/567058116.db2.gz RDSVRHDSJJWTFM-OAHLLOKOSA-N -1 3 392.315 3.083 20 0 GGADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)CCOC1 ZINC000634785592 567058603 /nfs/dbraw/zinc/05/86/03/567058603.db2.gz RAYLPMVKRMGROP-HNNXBMFYSA-N -1 3 399.843 3.267 20 0 GGADHM COc1ncccc1CC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000565332903 567059178 /nfs/dbraw/zinc/05/91/78/567059178.db2.gz MNVPEYQEIBKLTA-UHFFFAOYSA-N -1 3 395.531 3.105 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@@H]1CCCSC1 ZINC000565335777 567059413 /nfs/dbraw/zinc/05/94/13/567059413.db2.gz RAPVPFWMGMCFEZ-MRVPVSSYSA-N -1 3 385.262 3.455 20 0 GGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(Cc3cccc(Cl)c3)no2)CC1 ZINC000545543093 567059575 /nfs/dbraw/zinc/05/95/75/567059575.db2.gz SGPCFVMVTDXOST-UHFFFAOYSA-N -1 3 383.901 3.312 20 0 GGADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(OC(C)C)c2)c1 ZINC000634787754 567059908 /nfs/dbraw/zinc/05/99/08/567059908.db2.gz NXTAZJDBDRVPGC-UHFFFAOYSA-N -1 3 383.857 3.281 20 0 GGADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)CCOC1 ZINC000634789335 567060441 /nfs/dbraw/zinc/06/04/41/567060441.db2.gz JFUSCGOIGGJLMH-HNNXBMFYSA-N -1 3 381.416 3.117 20 0 GGADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccccc2CC(F)(F)F)CCOC1 ZINC000634789360 567060558 /nfs/dbraw/zinc/06/05/58/567060558.db2.gz KFOMUYIRRSYTBW-HNNXBMFYSA-N -1 3 381.416 3.117 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1ccc(Cl)c(Br)c1 ZINC000565345203 567060776 /nfs/dbraw/zinc/06/07/76/567060776.db2.gz XENWENKYMLCPIP-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(C3CCCC3)cc2)s1 ZINC000521519266 567063414 /nfs/dbraw/zinc/06/34/14/567063414.db2.gz NOIZRMJKXAVDNH-UHFFFAOYSA-N -1 3 378.519 3.244 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1Cl ZINC000431179345 567063815 /nfs/dbraw/zinc/06/38/15/567063815.db2.gz CWSOVTVXIJTBHZ-UHFFFAOYSA-N -1 3 381.837 3.252 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1Cl ZINC000431184221 567064057 /nfs/dbraw/zinc/06/40/57/567064057.db2.gz ZMPILWABTRAWMC-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1Cl ZINC000431178966 567064133 /nfs/dbraw/zinc/06/41/33/567064133.db2.gz KKRQXMYQHAHCJO-SNVBAGLBSA-N -1 3 381.837 3.251 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cs1 ZINC000682612372 567064471 /nfs/dbraw/zinc/06/44/71/567064471.db2.gz QDODGDYDDNIXMT-UHFFFAOYSA-N -1 3 399.694 3.485 20 0 GGADHM CC[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C(C)(C)C ZINC000521541377 567065440 /nfs/dbraw/zinc/06/54/40/567065440.db2.gz ZQBCQOOYYVDRQD-AWEZNQCLSA-N -1 3 387.571 3.025 20 0 GGADHM C[C@@H](Sc1ccccn1)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000545630665 567066976 /nfs/dbraw/zinc/06/69/76/567066976.db2.gz RJJGCFHGEKIYLC-LLVKDONJSA-N -1 3 376.463 3.356 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000565431683 567067032 /nfs/dbraw/zinc/06/70/32/567067032.db2.gz KLJHZXCMYMOSIG-CYBMUJFWSA-N -1 3 398.319 3.161 20 0 GGADHM Cc1cscc1CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473224316 567069154 /nfs/dbraw/zinc/06/91/54/567069154.db2.gz ZPJKRSFAMIZKDE-UHFFFAOYSA-N -1 3 392.424 3.377 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 ZINC000545683126 567069635 /nfs/dbraw/zinc/06/96/35/567069635.db2.gz ICTPFHLWLSIOEJ-UHFFFAOYSA-N -1 3 382.873 3.015 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(C)C ZINC000682726722 567069768 /nfs/dbraw/zinc/06/97/68/567069768.db2.gz VYIHJYGIRCUGCX-CYBMUJFWSA-N -1 3 394.331 3.187 20 0 GGADHM O=C(C[N-]S(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1c(F)cccc1Cl ZINC000565476482 567070570 /nfs/dbraw/zinc/07/05/70/567070570.db2.gz RGLITDFGYDDPFM-STQMWFEESA-N -1 3 388.892 3.008 20 0 GGADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000473237408 567070552 /nfs/dbraw/zinc/07/05/52/567070552.db2.gz VXMSJNLMNAXKHD-QMTHXVAHSA-N -1 3 378.416 3.338 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cs1 ZINC000584787550 567070721 /nfs/dbraw/zinc/07/07/21/567070721.db2.gz RRYQYPCRHCCQGI-UHFFFAOYSA-N -1 3 398.403 3.264 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(C(C)(C)Cc2ccc(Cl)cc2)no1 ZINC000453278620 567071174 /nfs/dbraw/zinc/07/11/74/567071174.db2.gz YYWMDAOGZXWONF-UHFFFAOYSA-N -1 3 385.917 3.463 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCN1Cc1ccccc1 ZINC000521641342 567071171 /nfs/dbraw/zinc/07/11/71/567071171.db2.gz IXGYGOZAKYZKQM-AWEZNQCLSA-N -1 3 399.299 3.073 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000565473783 567071229 /nfs/dbraw/zinc/07/12/29/567071229.db2.gz GGUUAMCNHWVRKT-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000521641579 567071303 /nfs/dbraw/zinc/07/13/03/567071303.db2.gz OCLWFMHQSSEURB-ZDUSSCGKSA-N -1 3 399.310 3.207 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)NCC1CCCCC1 ZINC000431284540 567072015 /nfs/dbraw/zinc/07/20/15/567072015.db2.gz VLZJOMFJSKQRKU-UHFFFAOYSA-N -1 3 390.908 3.233 20 0 GGADHM CCn1c(NC(=O)c2c[n-]c(C(=O)OC)c2)nc2cc(Br)ccc21 ZINC000496133760 567072257 /nfs/dbraw/zinc/07/22/57/567072257.db2.gz AWOJVXYQRZEBJG-UHFFFAOYSA-N -1 3 391.225 3.186 20 0 GGADHM O=C1CCCCN1CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000521650551 567072806 /nfs/dbraw/zinc/07/28/06/567072806.db2.gz NRWTUJKQUPUROL-UHFFFAOYSA-N -1 3 398.834 3.040 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cs1 ZINC000431313392 567073180 /nfs/dbraw/zinc/07/31/80/567073180.db2.gz OXPOEVJIQKFVDW-SECBINFHSA-N -1 3 378.878 3.263 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000431312721 567073557 /nfs/dbraw/zinc/07/35/57/567073557.db2.gz JZXGLKKQUDUQGI-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CCc2ccco2)no1 ZINC000545778229 567075719 /nfs/dbraw/zinc/07/57/19/567075719.db2.gz HKSPNHAISACAAJ-NSHDSACASA-N -1 3 381.841 3.141 20 0 GGADHM COc1ccc(CNCCn2ccc(C(F)(F)F)n2)c(Br)c1[O-] ZINC000634990480 567076464 /nfs/dbraw/zinc/07/64/64/567076464.db2.gz OEISDYLWVCGMCQ-UHFFFAOYSA-N -1 3 394.191 3.168 20 0 GGADHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000521725770 567076572 /nfs/dbraw/zinc/07/65/72/567076572.db2.gz GDNXWJDXNXASOM-UHFFFAOYSA-N -1 3 383.311 3.409 20 0 GGADHM CN(C)c1cnc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)cn1 ZINC000473390766 567077070 /nfs/dbraw/zinc/07/70/70/567077070.db2.gz QHSTYTRRHHNPHU-UHFFFAOYSA-N -1 3 378.820 3.106 20 0 GGADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(Br)c[nH]c1=O ZINC000682872280 567077244 /nfs/dbraw/zinc/07/72/44/567077244.db2.gz IXFGILNXICEVPE-UHFFFAOYSA-N -1 3 393.646 3.013 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OCCOC)c(C)c1)C(F)(F)F ZINC000521764565 567077457 /nfs/dbraw/zinc/07/74/57/567077457.db2.gz HBLCWUAIMNIZPB-NHYWBVRUSA-N -1 3 383.432 3.276 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)c1Br ZINC000682894389 567079359 /nfs/dbraw/zinc/07/93/59/567079359.db2.gz RKQIYYKFXMYJCQ-UHFFFAOYSA-N -1 3 386.253 3.176 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)c1Br ZINC000682894389 567079363 /nfs/dbraw/zinc/07/93/63/567079363.db2.gz RKQIYYKFXMYJCQ-UHFFFAOYSA-N -1 3 386.253 3.176 20 0 GGADHM C[C@]1(c2ccc(CNCc3ccc(Cl)cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000521833158 567080983 /nfs/dbraw/zinc/08/09/83/567080983.db2.gz TYKXGEYMHNEXNC-GOSISDBHSA-N -1 3 378.259 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000565592276 567081747 /nfs/dbraw/zinc/08/17/47/567081747.db2.gz OBICBOBJBRVOPE-YPMHNXCESA-N -1 3 381.828 3.177 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cnn2c1OCCC2)c1c(Cl)cccc1Cl ZINC000521838509 567083288 /nfs/dbraw/zinc/08/32/88/567083288.db2.gz DIBJVLAUITVACQ-SNVBAGLBSA-N -1 3 390.292 3.054 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccc(CN2CCCC2)c1 ZINC000431453074 567083542 /nfs/dbraw/zinc/08/35/42/567083542.db2.gz ZSLPAKXIIAGRBP-UHFFFAOYSA-N -1 3 399.292 3.367 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1OC ZINC000585734696 567083593 /nfs/dbraw/zinc/08/35/93/567083593.db2.gz SSNSYLBCJNRYBC-VIFPVBQESA-N -1 3 389.882 3.236 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c1OC ZINC000585739680 567084094 /nfs/dbraw/zinc/08/40/94/567084094.db2.gz XLNLIGSDEWQNNP-VIFPVBQESA-N -1 3 389.882 3.236 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([O-])ccc1Cl ZINC000565632167 567084467 /nfs/dbraw/zinc/08/44/67/567084467.db2.gz WCCZUEGLVKDEBH-OAHLLOKOSA-N -1 3 383.206 3.373 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c(C(F)(F)F)o1 ZINC000473502271 567084923 /nfs/dbraw/zinc/08/49/23/567084923.db2.gz BZRIDYVNDPMDSN-UHFFFAOYSA-N -1 3 380.319 3.370 20 0 GGADHM CCn1c2cc(Br)ccc2nc1[N-]C(=O)C(=O)N1CCC[C@H](C)C1 ZINC000473512386 567085997 /nfs/dbraw/zinc/08/59/97/567085997.db2.gz XVEJIHVAONGNFK-NSHDSACASA-N -1 3 393.285 3.016 20 0 GGADHM CCn1c2cc(Br)ccc2nc1[N-]C(=O)C(=O)N1CCC(C)CC1 ZINC000473508358 567086460 /nfs/dbraw/zinc/08/64/60/567086460.db2.gz POJNCBPJFWTEIO-UHFFFAOYSA-N -1 3 393.285 3.016 20 0 GGADHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c4c(sc3[n-]2)CSCC4)cc1 ZINC000614109485 567087589 /nfs/dbraw/zinc/08/75/89/567087589.db2.gz XPYRGMQOJSNIOR-UHFFFAOYSA-N -1 3 392.527 3.469 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO[C@H]1C1CC1 ZINC000545927285 567088848 /nfs/dbraw/zinc/08/88/48/567088848.db2.gz RDXYNRQNMHXKFS-GJZGRUSLSA-N -1 3 392.290 3.072 20 0 GGADHM C[C@@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCO[C@H]1C1CC1 ZINC000545936500 567090102 /nfs/dbraw/zinc/09/01/02/567090102.db2.gz OWRJBALDOQHKOA-RDJZCZTQSA-N -1 3 383.286 3.159 20 0 GGADHM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000521949813 567090356 /nfs/dbraw/zinc/09/03/56/567090356.db2.gz RJEMZJAFIMOVSA-UHFFFAOYSA-N -1 3 388.198 3.231 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1C ZINC000545927607 567090285 /nfs/dbraw/zinc/09/02/85/567090285.db2.gz HXQDSAJDSMOSRV-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc2n[n-]nc2c1 ZINC000473606955 567092021 /nfs/dbraw/zinc/09/20/21/567092021.db2.gz IQFDAPFSIADBLN-IINYFYTJSA-N -1 3 375.201 3.145 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccsc2)c(Br)cc1F ZINC000586583461 567092545 /nfs/dbraw/zinc/09/25/45/567092545.db2.gz NGDGALJHYGRMAT-UHFFFAOYSA-N -1 3 394.243 3.237 20 0 GGADHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc(C(F)(F)F)c1 ZINC000683072211 567094314 /nfs/dbraw/zinc/09/43/14/567094314.db2.gz YRBIQWZNRDSBSW-UHFFFAOYSA-N -1 3 392.424 3.382 20 0 GGADHM CCc1c(C(=O)N=c2[nH][n-]cc2Br)cnn1-c1cccc(Cl)c1 ZINC000565732036 567095024 /nfs/dbraw/zinc/09/50/24/567095024.db2.gz FOUBOGOHCCYCFM-UHFFFAOYSA-N -1 3 394.660 3.248 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000431610429 567096218 /nfs/dbraw/zinc/09/62/18/567096218.db2.gz QEOZIOMRKQOZHP-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000522053751 567096744 /nfs/dbraw/zinc/09/67/44/567096744.db2.gz IGTMAGQUGCAWGE-GFCCVEGCSA-N -1 3 378.460 3.283 20 0 GGADHM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCCc1ccncc1 ZINC000565780702 567097547 /nfs/dbraw/zinc/09/75/47/567097547.db2.gz HHYFJVKXDDPJNI-QGZVFWFLSA-N -1 3 375.266 3.288 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cc(OC)cs2)c(F)cc1F ZINC000473725410 567098434 /nfs/dbraw/zinc/09/84/34/567098434.db2.gz OEBPHMCQGGAIJY-UHFFFAOYSA-N -1 3 390.433 3.439 20 0 GGADHM COc1ccc(-c2nc(Sc3ncc(F)cn3)n[n-]2)cc1Br ZINC000473726761 567098591 /nfs/dbraw/zinc/09/85/91/567098591.db2.gz VKGRRYKJJNCKGG-UHFFFAOYSA-N -1 3 382.218 3.323 20 0 GGADHM CSc1ccc(N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000497435196 567098863 /nfs/dbraw/zinc/09/88/63/567098863.db2.gz WXDVJEXEYZPFKZ-UHFFFAOYSA-N -1 3 390.939 3.065 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000683195345 567104363 /nfs/dbraw/zinc/10/43/63/567104363.db2.gz JGCHILVMWVEICG-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1 ZINC000431644427 567099117 /nfs/dbraw/zinc/09/91/17/567099117.db2.gz JADNQGBACBWEIS-YEORSEQZSA-N -1 3 385.258 3.208 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])NCc1cccc(-c2ncc[nH]2)c1 ZINC000497467419 567099699 /nfs/dbraw/zinc/09/96/99/567099699.db2.gz ZSMYOTPPQLFNFN-UHFFFAOYSA-N -1 3 386.249 3.404 20 0 GGADHM COc1ccc(CN[C@H](CO)Cc2ccc(C)c(C)c2)c(Br)c1[O-] ZINC000453639210 567100108 /nfs/dbraw/zinc/10/01/08/567100108.db2.gz WIYFIOPZZQZHLE-INIZCTEOSA-N -1 3 394.309 3.473 20 0 GGADHM COc1c(Br)cccc1CNC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000683176888 567101194 /nfs/dbraw/zinc/10/11/94/567101194.db2.gz VVHHZVFIMMEBAJ-HNNXBMFYSA-N -1 3 378.266 3.491 20 0 GGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000683174855 567101209 /nfs/dbraw/zinc/10/12/09/567101209.db2.gz QZYOKRQKOIHQHP-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC12CCCCC2 ZINC000565805823 567101498 /nfs/dbraw/zinc/10/14/98/567101498.db2.gz BMFLXWSTSKIDGG-CQSZACIVSA-N -1 3 391.320 3.111 20 0 GGADHM COc1ccc([O-])c(C(=O)NCc2cc(Br)c(OC)c(OC)c2)c1 ZINC000522171803 567103456 /nfs/dbraw/zinc/10/34/56/567103456.db2.gz VDSMZVFQVLGQMF-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM CCCOCc1ccccc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546091811 567103615 /nfs/dbraw/zinc/10/36/15/567103615.db2.gz HJQLMXJPEKNKTO-UHFFFAOYSA-N -1 3 388.283 3.447 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000683195346 567104329 /nfs/dbraw/zinc/10/43/29/567104329.db2.gz JGCHILVMWVEICG-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C2CC2)cc1 ZINC000546094899 567105888 /nfs/dbraw/zinc/10/58/88/567105888.db2.gz VYEYGTAJYHUMIW-OAHLLOKOSA-N -1 3 386.267 3.480 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093462 567106044 /nfs/dbraw/zinc/10/60/44/567106044.db2.gz CVTMKCHXWJFZKO-JSGCOSHPSA-N -1 3 399.310 3.156 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nc3ccc(F)cc3n2C)sc1Cl ZINC000473852379 567108349 /nfs/dbraw/zinc/10/83/49/567108349.db2.gz FAKDNTSXANSXGJ-UHFFFAOYSA-N -1 3 387.889 3.257 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)NC(C)C)C2)sc1Cl ZINC000473854823 567108410 /nfs/dbraw/zinc/10/84/10/567108410.db2.gz KWXBSKZJFLGSDE-RYUDHWBXSA-N -1 3 378.947 3.072 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(C)cc1 ZINC000473862441 567109711 /nfs/dbraw/zinc/10/97/11/567109711.db2.gz LPZNFDZGSOLLBX-CYBMUJFWSA-N -1 3 387.910 3.253 20 0 GGADHM COCCCOC1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000565897573 567109978 /nfs/dbraw/zinc/10/99/78/567109978.db2.gz DHWGLQRRKFWTCW-MRXNPFEDSA-N -1 3 386.286 3.092 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2coc(C3CC3)n2)c(Br)cc1F ZINC000614414946 567110117 /nfs/dbraw/zinc/11/01/17/567110117.db2.gz XSYIOMKXBWTPFU-UHFFFAOYSA-N -1 3 383.173 3.493 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C2(N3CCOCC3)CCCC2)sc1Cl ZINC000473865157 567110238 /nfs/dbraw/zinc/11/02/38/567110238.db2.gz WEZNVZSHLSLLAM-CYBMUJFWSA-N -1 3 392.974 3.022 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)oc1C ZINC000431833884 567110397 /nfs/dbraw/zinc/11/03/97/567110397.db2.gz UAZJPZILONGMAO-ZWNOBZJWSA-N -1 3 387.816 3.002 20 0 GGADHM CCOC1CC(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)C1 ZINC000497563145 567110393 /nfs/dbraw/zinc/11/03/93/567110393.db2.gz JAXJWCOCVGSGDU-UHFFFAOYSA-N -1 3 383.221 3.127 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2Cl)oc1C ZINC000431833883 567110563 /nfs/dbraw/zinc/11/05/63/567110563.db2.gz UAZJPZILONGMAO-MFKMUULPSA-N -1 3 387.816 3.002 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2c(Cl)cccc2Cl)ccc1F ZINC000522274644 567110705 /nfs/dbraw/zinc/11/07/05/567110705.db2.gz QVSGFGBEDKBLHA-UHFFFAOYSA-N -1 3 391.251 3.434 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1ccc(Br)cc1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000522274648 567110785 /nfs/dbraw/zinc/11/07/85/567110785.db2.gz SRIAJIQEPUBBND-HSMVNMDESA-N -1 3 385.302 3.227 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000565933075 567111632 /nfs/dbraw/zinc/11/16/32/567111632.db2.gz FTUWUZYYGJMZNR-UHFFFAOYSA-N -1 3 390.839 3.489 20 0 GGADHM O=C1[C@H]2Cc3ccccc3CN2C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431854847 567111811 /nfs/dbraw/zinc/11/18/11/567111811.db2.gz PWOWUHNDYZXNFK-OAHLLOKOSA-N -1 3 387.233 3.044 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c2ccccc21 ZINC000546172159 567112310 /nfs/dbraw/zinc/11/23/10/567112310.db2.gz KRPVIAYWYVKCPM-CQSZACIVSA-N -1 3 384.226 3.194 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccc(F)cc2)N(C)C)sc1Cl ZINC000473904223 567112979 /nfs/dbraw/zinc/11/29/79/567112979.db2.gz YQONOHFERNJZAL-ZDUSSCGKSA-N -1 3 376.906 3.430 20 0 GGADHM CN1C(=O)N(Cc2ccc([O-])c(Br)c2)C(=O)[C@H]1c1ccccc1 ZINC000431866364 567113349 /nfs/dbraw/zinc/11/33/49/567113349.db2.gz UVLSXOKKLMCCNW-OAHLLOKOSA-N -1 3 375.222 3.290 20 0 GGADHM CN1C(=O)N(Cc2ccc([O-])c(Br)c2)C(=O)[C@@H]1c1ccccc1 ZINC000431866363 567113563 /nfs/dbraw/zinc/11/35/63/567113563.db2.gz UVLSXOKKLMCCNW-HNNXBMFYSA-N -1 3 375.222 3.290 20 0 GGADHM Cc1cc([C@@H]2NC(=O)N(Cc3ccc([O-])c(Br)c3)C2=O)ccc1F ZINC000431869590 567113923 /nfs/dbraw/zinc/11/39/23/567113923.db2.gz KFYFCJAJQYZDSP-HNNXBMFYSA-N -1 3 393.212 3.395 20 0 GGADHM CN1C(=O)N(Cc2ccc([O-])c(Br)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431864976 567114180 /nfs/dbraw/zinc/11/41/80/567114180.db2.gz MICXIGQCXXTNJY-OAHLLOKOSA-N -1 3 389.249 3.160 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ncccc2Br)c1[O-] ZINC000588098255 567114100 /nfs/dbraw/zinc/11/41/00/567114100.db2.gz KKTXBHPZSSKSQS-UHFFFAOYSA-N -1 3 385.601 3.242 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473910968 567114102 /nfs/dbraw/zinc/11/41/02/567114102.db2.gz LTGKBNFUMOOHCP-UHFFFAOYSA-N -1 3 379.240 3.405 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)N(C)C ZINC000473916714 567114134 /nfs/dbraw/zinc/11/41/34/567114134.db2.gz UVNVPJHPFBZUFV-CYBMUJFWSA-N -1 3 388.942 3.300 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)N2CCc3sccc3C2)sc1Cl ZINC000473915268 567114328 /nfs/dbraw/zinc/11/43/28/567114328.db2.gz YVNSHSQISSZABR-LLVKDONJSA-N -1 3 390.983 3.497 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1cccs1 ZINC000588110479 567114546 /nfs/dbraw/zinc/11/45/46/567114546.db2.gz UJTXRQIDALUOQX-GFCCVEGCSA-N -1 3 375.418 3.268 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2SC(C)C)cn1 ZINC000473914394 567114622 /nfs/dbraw/zinc/11/46/22/567114622.db2.gz VQRCBPDBFUWJTM-UHFFFAOYSA-N -1 3 399.925 3.396 20 0 GGADHM CNS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)cn1 ZINC000473914394 567114625 /nfs/dbraw/zinc/11/46/25/567114625.db2.gz VQRCBPDBFUWJTM-UHFFFAOYSA-N -1 3 399.925 3.396 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)N(C)C)c1 ZINC000473914638 567114826 /nfs/dbraw/zinc/11/48/26/567114826.db2.gz ZPEDXBYDOAZMCS-CQSZACIVSA-N -1 3 388.942 3.300 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1nc(-c2cccs2)no1 ZINC000497646806 567114813 /nfs/dbraw/zinc/11/48/13/567114813.db2.gz CFAWEAVRNFHUHJ-MRVPVSSYSA-N -1 3 378.435 3.242 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(CSc2ccc(Cl)cc2)no1 ZINC000546236794 567115508 /nfs/dbraw/zinc/11/55/08/567115508.db2.gz CWGVRHXKVMHNBJ-UHFFFAOYSA-N -1 3 375.903 3.235 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)cc1Cl ZINC000565987413 567116437 /nfs/dbraw/zinc/11/64/37/567116437.db2.gz ZNEQPYYJPAYRAY-NSHDSACASA-N -1 3 390.267 3.085 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCSC(C)C ZINC000588134403 567117515 /nfs/dbraw/zinc/11/75/15/567117515.db2.gz PBTSIGJXVNDBGF-UHFFFAOYSA-N -1 3 382.345 3.268 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]CCOc2c(Cl)cc(Cl)cc2Cl)on1 ZINC000431909842 567117432 /nfs/dbraw/zinc/11/74/32/567117432.db2.gz ARBHDRHNJWCRSL-UHFFFAOYSA-N -1 3 399.683 3.442 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)sc1Cl ZINC000473942640 567117976 /nfs/dbraw/zinc/11/79/76/567117976.db2.gz FDUGQUOTNKFJMS-CYBMUJFWSA-N -1 3 390.958 3.312 20 0 GGADHM Cc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3F)n2)o1 ZINC000431934068 567118545 /nfs/dbraw/zinc/11/85/45/567118545.db2.gz DNFVLBFNLJOCBK-UHFFFAOYSA-N -1 3 380.177 3.230 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@H]2C)c1Cl ZINC000588171771 567119275 /nfs/dbraw/zinc/11/92/75/567119275.db2.gz TULUTTSKCIYVCD-NEPJUHHUSA-N -1 3 393.336 3.370 20 0 GGADHM O=S(=O)([N-]Cc1ccncc1OCC(F)(F)F)c1ccc(F)cc1Cl ZINC000546261977 567119674 /nfs/dbraw/zinc/11/96/74/567119674.db2.gz CCNDVQLHAQBPLP-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM Cc1nc(C)c(Cc2nc(-c3cc(F)cc(Br)c3)no2)c(=O)[n-]1 ZINC000546273108 567120381 /nfs/dbraw/zinc/12/03/81/567120381.db2.gz GKPDSVAFEMBEAH-UHFFFAOYSA-N -1 3 379.189 3.341 20 0 GGADHM COc1ccc(CN2CCN(c3ccccc3O)CC2)c(Br)c1[O-] ZINC000546268720 567120962 /nfs/dbraw/zinc/12/09/62/567120962.db2.gz LFKQFCSESRJWSX-UHFFFAOYSA-N -1 3 393.281 3.191 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2c(C)cccc2SC)s1 ZINC000473988578 567122398 /nfs/dbraw/zinc/12/23/98/567122398.db2.gz IENSSGNIAOFMLQ-UHFFFAOYSA-N -1 3 385.536 3.008 20 0 GGADHM CC(C)N1CCc2nc([N-]C(=O)c3ncc(Br)s3)sc2C1 ZINC000683416493 567122675 /nfs/dbraw/zinc/12/26/75/567122675.db2.gz SXIJIEQNMYAWDQ-UHFFFAOYSA-N -1 3 387.328 3.381 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000497774876 567123286 /nfs/dbraw/zinc/12/32/86/567123286.db2.gz XJUSDJUBTIGLJA-ARFHVFGLSA-N -1 3 384.567 3.064 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c1Cl ZINC000614601570 567124069 /nfs/dbraw/zinc/12/40/69/567124069.db2.gz LCXWHAGWLHSOTH-UHFFFAOYSA-N -1 3 384.288 3.471 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)N1CCCC[C@@H]1C ZINC000614606025 567124724 /nfs/dbraw/zinc/12/47/24/567124724.db2.gz DHIVYQAQGWMQGD-RYUDHWBXSA-N -1 3 393.322 3.129 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Oc2ccccc2Br)n1 ZINC000636115094 567126064 /nfs/dbraw/zinc/12/60/64/567126064.db2.gz NJHMVNOPIXIFHP-NSHDSACASA-N -1 3 394.269 3.072 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000614614111 567126526 /nfs/dbraw/zinc/12/65/26/567126526.db2.gz RQFKTTQODABLJM-SECBINFHSA-N -1 3 391.242 3.156 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)c2ccc(Br)cc2)n1 ZINC000636111756 567127042 /nfs/dbraw/zinc/12/70/42/567127042.db2.gz VPJXCSRXKGHYJH-LLVKDONJSA-N -1 3 378.270 3.408 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)c2ccc(Br)s2)n1 ZINC000636115905 567127226 /nfs/dbraw/zinc/12/72/26/567127226.db2.gz WCTNQJYMBRFMRQ-VIFPVBQESA-N -1 3 384.299 3.470 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCc2ccccc2)c1 ZINC000474038694 567127392 /nfs/dbraw/zinc/12/73/92/567127392.db2.gz CPECYPHQGGSGNX-UHFFFAOYSA-N -1 3 384.295 3.369 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(C)s2)c1 ZINC000474047988 567127907 /nfs/dbraw/zinc/12/79/07/567127907.db2.gz YQNKRUDZNWXRSR-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)n(C2CCN(C)CC2)n1 ZINC000497863965 567129198 /nfs/dbraw/zinc/12/91/98/567129198.db2.gz ZSKZZEIDDOBIAV-UHFFFAOYSA-N -1 3 382.917 3.221 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cc4c(cc3Cl)CCC4=O)cc12 ZINC000432073880 567129506 /nfs/dbraw/zinc/12/95/06/567129506.db2.gz ZESVNVKIGCDTAA-UHFFFAOYSA-N -1 3 377.809 3.114 20 0 GGADHM O=c1[nH]cc(Br)cc1Cc1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000546470900 567130141 /nfs/dbraw/zinc/13/01/41/567130141.db2.gz WPVJBXMGVXRIEQ-UHFFFAOYSA-N -1 3 388.181 3.174 20 0 GGADHM O=c1[nH]cc(Br)cc1Cc1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000546470900 567130150 /nfs/dbraw/zinc/13/01/50/567130150.db2.gz WPVJBXMGVXRIEQ-UHFFFAOYSA-N -1 3 388.181 3.174 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c1 ZINC000474079580 567130907 /nfs/dbraw/zinc/13/09/07/567130907.db2.gz DUARVLATNZVRJC-UHFFFAOYSA-N -1 3 395.278 3.418 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1OC ZINC000432080247 567130996 /nfs/dbraw/zinc/13/09/96/567130996.db2.gz PBXKNDADWLGDIJ-UHFFFAOYSA-N -1 3 381.837 3.287 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2c[nH]nc2-c2ccc(Cl)s2)s1 ZINC000614684688 567131570 /nfs/dbraw/zinc/13/15/70/567131570.db2.gz WUNJATZZMUKRTH-UHFFFAOYSA-N -1 3 383.842 3.072 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2cccc(C)c2)c1 ZINC000474083540 567132000 /nfs/dbraw/zinc/13/20/00/567132000.db2.gz OZIPOQUNCNMJCW-UHFFFAOYSA-N -1 3 384.295 3.287 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1Cl)c1ccco1 ZINC000522805315 567132037 /nfs/dbraw/zinc/13/20/37/567132037.db2.gz SIXJPKFEZOSKBE-LBPRGKRZSA-N -1 3 384.841 3.106 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2sccc2C)c1 ZINC000474086211 567132448 /nfs/dbraw/zinc/13/24/48/567132448.db2.gz BHOIVLSQWWUCJT-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000497932961 567132506 /nfs/dbraw/zinc/13/25/06/567132506.db2.gz AMOACFLZCKNEMR-QWRGUYRKSA-N -1 3 380.215 3.115 20 0 GGADHM Brc1c(-c2nc(Cc3ccncn3)no2)n[n-]c1-c1ccccc1 ZINC000546501389 567133063 /nfs/dbraw/zinc/13/30/63/567133063.db2.gz YJBCYYYQRMCUKD-UHFFFAOYSA-N -1 3 383.209 3.270 20 0 GGADHM Brc1c(-c2ccccc2)n[n-]c1-c1nc(Cc2ccncn2)no1 ZINC000546501389 567133071 /nfs/dbraw/zinc/13/30/71/567133071.db2.gz YJBCYYYQRMCUKD-UHFFFAOYSA-N -1 3 383.209 3.270 20 0 GGADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1ccccn1)c1cncc(Cl)c1 ZINC000497938158 567133387 /nfs/dbraw/zinc/13/33/87/567133387.db2.gz LWXNTNHLXSXDTM-QGZVFWFLSA-N -1 3 377.828 3.337 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2nc3ccccc3s2)no1 ZINC000566171005 567133646 /nfs/dbraw/zinc/13/36/46/567133646.db2.gz ZJHGJGAGJHJCBZ-UHFFFAOYSA-N -1 3 381.479 3.078 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCc2cnn(C)c2)c1Cl ZINC000588685037 567134053 /nfs/dbraw/zinc/13/40/53/567134053.db2.gz RBHPQJGMTQECBS-UHFFFAOYSA-N -1 3 376.309 3.255 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C)c1nc(C)cs1 ZINC000474097747 567134107 /nfs/dbraw/zinc/13/41/07/567134107.db2.gz PZBKAIDVOUEWOW-AWEZNQCLSA-N -1 3 382.507 3.285 20 0 GGADHM Cc1nc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)sc1C ZINC000683567702 567134403 /nfs/dbraw/zinc/13/44/03/567134403.db2.gz SQDJALRLJCKWEC-UHFFFAOYSA-N -1 3 385.486 3.228 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000497949436 567134984 /nfs/dbraw/zinc/13/49/84/567134984.db2.gz DXNDPMLJHOCVEB-VHSXEESVSA-N -1 3 399.740 3.339 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000497949433 567136058 /nfs/dbraw/zinc/13/60/58/567136058.db2.gz DXNDPMLJHOCVEB-UWVGGRQHSA-N -1 3 399.740 3.339 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H](O)C(F)(F)F ZINC000497969207 567136829 /nfs/dbraw/zinc/13/68/29/567136829.db2.gz QXKIGUIPITXWPN-SCZZXKLOSA-N -1 3 399.740 3.339 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000546566555 567137185 /nfs/dbraw/zinc/13/71/85/567137185.db2.gz IZUXKYVGBGDWAZ-UHFFFAOYSA-N -1 3 393.734 3.033 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCCOc1cccc(Cl)c1Cl)C2 ZINC000636285107 567137709 /nfs/dbraw/zinc/13/77/09/567137709.db2.gz RBCHJJQBCGHYSG-UHFFFAOYSA-N -1 3 382.247 3.499 20 0 GGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(Br)ccc3F)ccc2[nH]1 ZINC000432210497 567137774 /nfs/dbraw/zinc/13/77/74/567137774.db2.gz NHYVJEWGEWRWTC-UHFFFAOYSA-N -1 3 397.225 3.231 20 0 GGADHM Cc1cc(Br)ccc1SCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636282908 567137778 /nfs/dbraw/zinc/13/77/78/567137778.db2.gz WLBCIAPCKZPFKR-UHFFFAOYSA-N -1 3 394.294 3.196 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000546564235 567138113 /nfs/dbraw/zinc/13/81/13/567138113.db2.gz DWOIXXPSRPIMFE-UHFFFAOYSA-N -1 3 381.416 3.255 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)C2 ZINC000636284892 567138166 /nfs/dbraw/zinc/13/81/66/567138166.db2.gz VZHOCBCRXJSZPZ-UHFFFAOYSA-N -1 3 386.260 3.364 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2nc(C)c(C)s2)c(F)cc1F ZINC000683619704 567138666 /nfs/dbraw/zinc/13/86/66/567138666.db2.gz GQNWQYANBIQWFS-UHFFFAOYSA-N -1 3 389.449 3.442 20 0 GGADHM C[C@@H]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000474130946 567138913 /nfs/dbraw/zinc/13/89/13/567138913.db2.gz HHJAPLUYFLDDLX-VXGBXAGGSA-N -1 3 384.548 3.207 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1Cl)c1ccccc1 ZINC000497980960 567139242 /nfs/dbraw/zinc/13/92/42/567139242.db2.gz DCOKIZOBXPRPGZ-DYVFJYSZSA-N -1 3 381.881 3.477 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000683629728 567140291 /nfs/dbraw/zinc/14/02/91/567140291.db2.gz CCUIQFPGPHFTLM-JTQLQIEISA-N -1 3 379.185 3.358 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)c(Br)c1 ZINC000588846853 567140495 /nfs/dbraw/zinc/14/04/95/567140495.db2.gz DBNHIJUCSKEGID-UHFFFAOYSA-N -1 3 384.679 3.043 20 0 GGADHM C[C@@H](NC(=O)CCc1cc(Cl)cs1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823661 567141358 /nfs/dbraw/zinc/14/13/58/567141358.db2.gz RJLDQZFCSBVJAN-GHMZBOCLSA-N -1 3 381.885 3.214 20 0 GGADHM C[C@@H](NC(=O)c1cscc1Br)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824187 567141680 /nfs/dbraw/zinc/14/16/80/567141680.db2.gz DGASVGFOHLMGIG-DTWKUNHWSA-N -1 3 398.282 3.004 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1ccc(F)cc1Cl ZINC000432261215 567142364 /nfs/dbraw/zinc/14/23/64/567142364.db2.gz ZTESXJVVVGGYBJ-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317317 567142386 /nfs/dbraw/zinc/14/23/86/567142386.db2.gz BVPQYFKWFBOOBT-UHFFFAOYSA-N -1 3 382.247 3.452 20 0 GGADHM CSc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000636332223 567142402 /nfs/dbraw/zinc/14/24/02/567142402.db2.gz YWVXQRSAZORIQI-GFCCVEGCSA-N -1 3 379.503 3.051 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432258029 567143013 /nfs/dbraw/zinc/14/30/13/567143013.db2.gz JEYFWEWXEOVVFA-GFCCVEGCSA-N -1 3 393.818 3.332 20 0 GGADHM O=C(Cc1ccccc1Br)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319952 567143401 /nfs/dbraw/zinc/14/34/01/567143401.db2.gz ZFPKQVRJHALXGA-UHFFFAOYSA-N -1 3 376.254 3.071 20 0 GGADHM O=C(Cc1ccc(Br)cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318334 567143462 /nfs/dbraw/zinc/14/34/62/567143462.db2.gz VEBSOHSEUMDUFR-UHFFFAOYSA-N -1 3 376.254 3.071 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1Br ZINC000498024050 567143916 /nfs/dbraw/zinc/14/39/16/567143916.db2.gz VJWBXAFUKNYONA-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM O=S(=O)([N-]CC1(c2cccc(Br)c2)CCC1)c1cncc(F)c1 ZINC000588905385 567144150 /nfs/dbraw/zinc/14/41/50/567144150.db2.gz MJEJIQHJGMMDQU-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)s1 ZINC000546634348 567144205 /nfs/dbraw/zinc/14/42/05/567144205.db2.gz STZYFDMGHICFJG-TZMCWYRMSA-N -1 3 394.356 3.303 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1C ZINC000546633789 567144448 /nfs/dbraw/zinc/14/44/48/567144448.db2.gz AEESKOUBQLHSRU-UHFFFAOYSA-N -1 3 381.837 3.266 20 0 GGADHM O=S(=O)([N-]CCCOc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000588905618 567144407 /nfs/dbraw/zinc/14/44/07/567144407.db2.gz UKVUBAAMUIBPLG-UHFFFAOYSA-N -1 3 379.240 3.275 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)s1 ZINC000683699612 567144589 /nfs/dbraw/zinc/14/45/89/567144589.db2.gz ABIBWXJIRVFRGY-UHFFFAOYSA-N -1 3 387.324 3.224 20 0 GGADHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CCC1)c1cncc(F)c1 ZINC000588904289 567144816 /nfs/dbraw/zinc/14/48/16/567144816.db2.gz IZWGSTDMLFVPOL-UHFFFAOYSA-N -1 3 385.258 3.341 20 0 GGADHM C[C@@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000588905326 567144838 /nfs/dbraw/zinc/14/48/38/567144838.db2.gz JUHOZFWWZBFYSM-NSHDSACASA-N -1 3 387.274 3.283 20 0 GGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000474190422 567145242 /nfs/dbraw/zinc/14/52/42/567145242.db2.gz MZPUYUBBPPPBDO-GFCCVEGCSA-N -1 3 390.324 3.047 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1cc(F)ccc1Cl ZINC000432283488 567145821 /nfs/dbraw/zinc/14/58/21/567145821.db2.gz MKCILGAVNGZUML-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cncc(Br)c1)C1CCCC1 ZINC000474195249 567146400 /nfs/dbraw/zinc/14/64/00/567146400.db2.gz YDBOJVOUSZKEIB-OAHLLOKOSA-N -1 3 391.331 3.108 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1cc(Br)ccc1F ZINC000474199065 567147111 /nfs/dbraw/zinc/14/71/11/567147111.db2.gz PTPKISBNUKTGGT-UHFFFAOYSA-N -1 3 388.258 3.083 20 0 GGADHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614914989 567147508 /nfs/dbraw/zinc/14/75/08/567147508.db2.gz JWIPDMCWIDMRCC-UHFFFAOYSA-N -1 3 386.279 3.171 20 0 GGADHM CC(C)N(C)CC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000523239706 567147759 /nfs/dbraw/zinc/14/77/59/567147759.db2.gz XBMHKWSFMRDNOV-UHFFFAOYSA-N -1 3 385.693 3.193 20 0 GGADHM Cc1ncc(CNC(=O)c2coc3c2cc(Br)cc3C)c(=O)[n-]1 ZINC000474217563 567147853 /nfs/dbraw/zinc/14/78/53/567147853.db2.gz ZVPVJCGFRYYPLW-UHFFFAOYSA-N -1 3 376.210 3.238 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCOCc2ccccc2)cc1Cl ZINC000474220568 567149721 /nfs/dbraw/zinc/14/97/21/567149721.db2.gz VPTUWEOWXYUXFA-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM CCC[C@@H](C)S(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000566333581 567150049 /nfs/dbraw/zinc/15/00/49/567150049.db2.gz IFBIFQRQVCWFLH-SNVBAGLBSA-N -1 3 388.287 3.107 20 0 GGADHM CC(C)OC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1 ZINC000498076581 567150376 /nfs/dbraw/zinc/15/03/76/567150376.db2.gz IQBBEDZDIXDNNS-UHFFFAOYSA-N -1 3 385.825 3.154 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1c1ccccc1 ZINC000546715564 567151276 /nfs/dbraw/zinc/15/12/76/567151276.db2.gz KQOUJRNZQBBKRL-AWEZNQCLSA-N -1 3 398.937 3.434 20 0 GGADHM O=C([N-]c1nnc2[nH]cnn12)C1(c2ccccc2Br)CCCCC1 ZINC000614993987 567152134 /nfs/dbraw/zinc/15/21/34/567152134.db2.gz NBOGNMYJWSGPIE-UHFFFAOYSA-N -1 3 389.257 3.056 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2ncc(F)cc2F)cc(Br)c1F ZINC000432356416 567152986 /nfs/dbraw/zinc/15/29/86/567152986.db2.gz CZVCHYCIUSILSW-UHFFFAOYSA-N -1 3 389.127 3.300 20 0 GGADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)ccn1 ZINC000432370298 567154816 /nfs/dbraw/zinc/15/48/16/567154816.db2.gz YYQSEDOVQZROQH-UHFFFAOYSA-N -1 3 390.690 3.364 20 0 GGADHM CO[C@H](c1ccccc1)[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000683816697 567154814 /nfs/dbraw/zinc/15/48/14/567154814.db2.gz VVPCBGZONARFHD-WBMJQRKESA-N -1 3 388.942 3.046 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000566408882 567155473 /nfs/dbraw/zinc/15/54/73/567155473.db2.gz SSYWFVKDQJRJTK-UHFFFAOYSA-N -1 3 397.758 3.217 20 0 GGADHM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546769633 567156422 /nfs/dbraw/zinc/15/64/22/567156422.db2.gz SIFWCJJPQXTJCO-GFCCVEGCSA-N -1 3 386.267 3.407 20 0 GGADHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546768586 567156526 /nfs/dbraw/zinc/15/65/26/567156526.db2.gz GAELIAKYQKUAOG-UHFFFAOYSA-N -1 3 380.647 3.183 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccc(CC)cc1 ZINC000589123467 567156979 /nfs/dbraw/zinc/15/69/79/567156979.db2.gz TXBRDLKMDORWFE-FZMZJTMJSA-N -1 3 381.416 3.114 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000589126180 567157018 /nfs/dbraw/zinc/15/70/18/567157018.db2.gz BEVNIOHSSFONTJ-AAEUAGOBSA-N -1 3 397.440 3.027 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000474309819 567157114 /nfs/dbraw/zinc/15/71/14/567157114.db2.gz GMLRFYYJLIQRBP-UHFFFAOYSA-N -1 3 391.503 3.468 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(F)cc1F ZINC000523417219 567157352 /nfs/dbraw/zinc/15/73/52/567157352.db2.gz VKCLDMZHYRSMSG-GFCCVEGCSA-N -1 3 375.418 3.243 20 0 GGADHM O=S(=O)([N-]CCOc1ncc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000474305519 567157548 /nfs/dbraw/zinc/15/75/48/567157548.db2.gz CWTPSPKTRVJNHW-UHFFFAOYSA-N -1 3 383.203 3.024 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(F)ccc1I ZINC000523425530 567157735 /nfs/dbraw/zinc/15/77/35/567157735.db2.gz WXQVHYHWEMGNKS-UHFFFAOYSA-N -1 3 389.139 3.205 20 0 GGADHM Cc1cn2ccnc(C(=O)[N-]c3nnc(SCc4cccs4)s3)c2n1 ZINC000432419282 567159203 /nfs/dbraw/zinc/15/92/03/567159203.db2.gz ATLGLSJHLPMIDY-UHFFFAOYSA-N -1 3 388.503 3.495 20 0 GGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)c1 ZINC000474319872 567159735 /nfs/dbraw/zinc/15/97/35/567159735.db2.gz ZDQZORDJOMYKFN-UHFFFAOYSA-N -1 3 387.910 3.470 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@]12CCCO2 ZINC000546782801 567160020 /nfs/dbraw/zinc/16/00/20/567160020.db2.gz POKCZOOLMOGYNR-ARFHVFGLSA-N -1 3 394.320 3.139 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@]12CCCO2 ZINC000546782804 567160079 /nfs/dbraw/zinc/16/00/79/567160079.db2.gz POKCZOOLMOGYNR-XHSDSOJGSA-N -1 3 394.320 3.139 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(Br)c1 ZINC000589148802 567160489 /nfs/dbraw/zinc/16/04/89/567160489.db2.gz GGFKNXKRIXFOGY-UHFFFAOYSA-N -1 3 382.239 3.135 20 0 GGADHM O=S(=O)(CCOc1ccccc1)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000566530265 567164423 /nfs/dbraw/zinc/16/44/23/567164423.db2.gz ZKXOLJAUVFFPCZ-CQSZACIVSA-N -1 3 388.272 3.425 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccc(C)cc32)s1 ZINC000566524620 567165061 /nfs/dbraw/zinc/16/50/61/567165061.db2.gz AWPSMKGDYKDEEV-KRWDZBQOSA-N -1 3 378.519 3.049 20 0 GGADHM CCCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474380753 567165272 /nfs/dbraw/zinc/16/52/72/567165272.db2.gz VGHGPWMDZLVEPV-ZDUSSCGKSA-N -1 3 379.309 3.208 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)CCC2CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000474382334 567165288 /nfs/dbraw/zinc/16/52/88/567165288.db2.gz QYHAUMPTWLMSHM-AWEZNQCLSA-N -1 3 391.320 3.208 20 0 GGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000566523678 567165303 /nfs/dbraw/zinc/16/53/03/567165303.db2.gz JAIPXHATNJUDOK-UHFFFAOYSA-N -1 3 397.294 3.342 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cn1C ZINC000546860290 567165791 /nfs/dbraw/zinc/16/57/91/567165791.db2.gz OFRGMZNRCXENTM-UHFFFAOYSA-N -1 3 377.249 3.309 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC000546877083 567165890 /nfs/dbraw/zinc/16/58/90/567165890.db2.gz KAANLBADLKYHHH-UHFFFAOYSA-N -1 3 399.456 3.024 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)s1 ZINC000546871323 567165916 /nfs/dbraw/zinc/16/59/16/567165916.db2.gz XNPHQBZJWXHMKX-LBPRGKRZSA-N -1 3 383.491 3.015 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@@H]1CCCO1 ZINC000683954708 567166141 /nfs/dbraw/zinc/16/61/41/567166141.db2.gz LENWKNOVCKUQTJ-STQMWFEESA-N -1 3 382.309 3.083 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2nc3ccccc3cc2Br)[n-]1 ZINC000589211084 567166396 /nfs/dbraw/zinc/16/63/96/567166396.db2.gz OFGNNNALYZIDRJ-UHFFFAOYSA-N -1 3 389.209 3.149 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2nc3ccccc3cc2Br)c[n-]1 ZINC000589211084 567166400 /nfs/dbraw/zinc/16/64/00/567166400.db2.gz OFGNNNALYZIDRJ-UHFFFAOYSA-N -1 3 389.209 3.149 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)s1 ZINC000474387783 567166504 /nfs/dbraw/zinc/16/65/04/567166504.db2.gz IAENELADWMEPRS-VIFPVBQESA-N -1 3 383.422 3.460 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(C)C ZINC000474387082 567166705 /nfs/dbraw/zinc/16/67/05/567166705.db2.gz AMKQFIIUXUWMBF-DZGCQCFKSA-N -1 3 393.933 3.093 20 0 GGADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523694358 567167606 /nfs/dbraw/zinc/16/76/06/567167606.db2.gz MAGZASJQVUCWOE-ZDUSSCGKSA-N -1 3 376.869 3.014 20 0 GGADHM CCC1(CC)CCC([N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000474397194 567167984 /nfs/dbraw/zinc/16/79/84/567167984.db2.gz YVCABRPGEKFPOS-UHFFFAOYSA-N -1 3 386.583 3.454 20 0 GGADHM COCc1nc(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)n[n-]1 ZINC000474394026 567168349 /nfs/dbraw/zinc/16/83/49/567168349.db2.gz NVOWWGBKBZATFU-LLVKDONJSA-N -1 3 381.527 3.254 20 0 GGADHM COCc1nc(SCc2nc(-c3cccc(Br)c3)no2)n[n-]1 ZINC000474398536 567168380 /nfs/dbraw/zinc/16/83/80/567168380.db2.gz VKPXOBUUYYDKLO-UHFFFAOYSA-N -1 3 382.243 3.056 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000523732629 567169173 /nfs/dbraw/zinc/16/91/73/567169173.db2.gz OXJLEJTWWUNVCV-CQSZACIVSA-N -1 3 392.830 3.339 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nnnn1-c1ccccc1 ZINC000523732954 567169574 /nfs/dbraw/zinc/16/95/74/567169574.db2.gz FCTYPQMTXZSOTC-JTQLQIEISA-N -1 3 398.275 3.009 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nnnn1-c1ccccc1 ZINC000523733116 567169620 /nfs/dbraw/zinc/16/96/20/567169620.db2.gz PTPBFENMKFARTA-SNVBAGLBSA-N -1 3 398.275 3.009 20 0 GGADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000474416744 567169781 /nfs/dbraw/zinc/16/97/81/567169781.db2.gz YVWUVJCBXMXJHF-UHFFFAOYSA-N -1 3 377.809 3.046 20 0 GGADHM CN(C)CC1([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCC1 ZINC000546903935 567169957 /nfs/dbraw/zinc/16/99/57/567169957.db2.gz RXVFOXZAQSEYQU-UHFFFAOYSA-N -1 3 399.713 3.004 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000589235965 567170026 /nfs/dbraw/zinc/17/00/26/567170026.db2.gz UWORWSFTZYZZFD-MRVPVSSYSA-N -1 3 377.896 3.215 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c(C)cc1Br ZINC000474418683 567170103 /nfs/dbraw/zinc/17/01/03/567170103.db2.gz ZDOANMORNWLKTL-UHFFFAOYSA-N -1 3 381.255 3.138 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c(C)cc1Br ZINC000474418683 567170109 /nfs/dbraw/zinc/17/01/09/567170109.db2.gz ZDOANMORNWLKTL-UHFFFAOYSA-N -1 3 381.255 3.138 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1cccc2nn[n-]c21 ZINC000566582047 567170180 /nfs/dbraw/zinc/17/01/80/567170180.db2.gz LQUQYKMVKDKDHC-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1cccc2[n-]nnc21 ZINC000566582047 567170185 /nfs/dbraw/zinc/17/01/85/567170185.db2.gz LQUQYKMVKDKDHC-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1cccc2n[n-]nc21 ZINC000566582047 567170188 /nfs/dbraw/zinc/17/01/88/567170188.db2.gz LQUQYKMVKDKDHC-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM O=C(NCCC[C@H]1CCCCO1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000546922603 567171168 /nfs/dbraw/zinc/17/11/68/567171168.db2.gz FKOCTERWAMBVPN-CYBMUJFWSA-N -1 3 393.281 3.370 20 0 GGADHM COc1ccc(CN2CCN(c3cc(C)ccn3)CC2)c(Br)c1[O-] ZINC000546963427 567174636 /nfs/dbraw/zinc/17/46/36/567174636.db2.gz JJWQGDINVRHPIN-UHFFFAOYSA-N -1 3 392.297 3.189 20 0 GGADHM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000615306588 567176922 /nfs/dbraw/zinc/17/69/22/567176922.db2.gz YRAYOKQHYFCANP-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000589434567 567177759 /nfs/dbraw/zinc/17/77/59/567177759.db2.gz HUSCJUZUZNKMHA-UHFFFAOYSA-N -1 3 378.519 3.358 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3c(F)cccc3Cl)n2)cc1 ZINC000547018926 567177848 /nfs/dbraw/zinc/17/78/48/567177848.db2.gz UTKITZATSQMJLK-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)Cc1csc(C)n1)c1nc(C(F)(F)F)cs1 ZINC000684102384 567177927 /nfs/dbraw/zinc/17/79/27/567177927.db2.gz WJHOFXBOOYGPRQ-SECBINFHSA-N -1 3 385.458 3.498 20 0 GGADHM Cc1ccnc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000546995926 567178243 /nfs/dbraw/zinc/17/82/43/567178243.db2.gz VJULXAULWJKAFZ-LLVKDONJSA-N -1 3 378.841 3.133 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)cs1 ZINC000684103210 567178250 /nfs/dbraw/zinc/17/82/50/567178250.db2.gz LYATVJRKGLAVFW-QGZVFWFLSA-N -1 3 377.466 3.195 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)cs1 ZINC000684103284 567178843 /nfs/dbraw/zinc/17/88/43/567178843.db2.gz DVMBXUGGFCAXHQ-UHFFFAOYSA-N -1 3 393.559 3.313 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc3cc[nH]c3c2)no1)c1ccc(Cl)s1 ZINC000547050359 567179850 /nfs/dbraw/zinc/17/98/50/567179850.db2.gz MPMNRZLBJGXROT-UHFFFAOYSA-N -1 3 394.865 3.411 20 0 GGADHM CCC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000589458767 567180475 /nfs/dbraw/zinc/18/04/75/567180475.db2.gz XNBHKOYEBWOEAI-INIZCTEOSA-N -1 3 377.238 3.361 20 0 GGADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)ccn1 ZINC000432675632 567180641 /nfs/dbraw/zinc/18/06/41/567180641.db2.gz CDCHESUYIUNHBZ-NSHDSACASA-N -1 3 378.841 3.133 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000524109831 567182869 /nfs/dbraw/zinc/18/28/69/567182869.db2.gz YZGSBAKXVOFBEE-QGZVFWFLSA-N -1 3 375.881 3.336 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000524109830 567183254 /nfs/dbraw/zinc/18/32/54/567183254.db2.gz YZGSBAKXVOFBEE-KRWDZBQOSA-N -1 3 375.881 3.336 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)CCCC1 ZINC000589556124 567183966 /nfs/dbraw/zinc/18/39/66/567183966.db2.gz NAIFPTARLHQIAQ-UHFFFAOYSA-N -1 3 379.400 3.489 20 0 GGADHM Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)ccc1[O-] ZINC000498541599 567184331 /nfs/dbraw/zinc/18/43/31/567184331.db2.gz GVVUHIVMDJPZOL-UHFFFAOYSA-N -1 3 391.265 3.482 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCc1ccc(C)cc1C ZINC000615441206 567185590 /nfs/dbraw/zinc/18/55/90/567185590.db2.gz RVHQJTGFMFLIHZ-UHFFFAOYSA-N -1 3 381.519 3.371 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000615474992 567186325 /nfs/dbraw/zinc/18/63/25/567186325.db2.gz NXLCRDXTUPDAML-LOWVWBTDSA-N -1 3 381.270 3.097 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000615474993 567186421 /nfs/dbraw/zinc/18/64/21/567186421.db2.gz NXLCRDXTUPDAML-NQBHXWOUSA-N -1 3 381.270 3.097 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000615474994 567186772 /nfs/dbraw/zinc/18/67/72/567186772.db2.gz NXLCRDXTUPDAML-WZRBSPASSA-N -1 3 381.270 3.097 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccccc1Cl ZINC000498581826 567189589 /nfs/dbraw/zinc/18/95/89/567189589.db2.gz BVSXIDWNEPMNOR-INIZCTEOSA-N -1 3 384.860 3.421 20 0 GGADHM C[C@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)c1c(Cl)cccc1Cl ZINC000589696029 567189998 /nfs/dbraw/zinc/18/99/98/567189998.db2.gz YBWPOWUWMZKEGL-LLVKDONJSA-N -1 3 381.259 3.349 20 0 GGADHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000589633079 567190479 /nfs/dbraw/zinc/19/04/79/567190479.db2.gz ZWOPRGLTYJARRO-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM CSc1nnc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)[n-]1 ZINC000589691834 567191059 /nfs/dbraw/zinc/19/10/59/567191059.db2.gz FZHUCKXEUQAUJM-UHFFFAOYSA-N -1 3 380.271 3.260 20 0 GGADHM CSc1n[n-]c(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)n1 ZINC000589691834 567191063 /nfs/dbraw/zinc/19/10/63/567191063.db2.gz FZHUCKXEUQAUJM-UHFFFAOYSA-N -1 3 380.271 3.260 20 0 GGADHM CSc1nc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)n[n-]1 ZINC000589691834 567191064 /nfs/dbraw/zinc/19/10/64/567191064.db2.gz FZHUCKXEUQAUJM-UHFFFAOYSA-N -1 3 380.271 3.260 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000524312954 567191821 /nfs/dbraw/zinc/19/18/21/567191821.db2.gz SQLAFDZPUSXFBI-NSHDSACASA-N -1 3 395.750 3.113 20 0 GGADHM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000432787045 567192636 /nfs/dbraw/zinc/19/26/36/567192636.db2.gz QVSBCLCUIBDWPJ-SGTLLEGYSA-N -1 3 388.265 3.012 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1ccc(Br)c(F)c1 ZINC000566818722 567192937 /nfs/dbraw/zinc/19/29/37/567192937.db2.gz BPZBDSYBRYPKDQ-SNVBAGLBSA-N -1 3 386.242 3.043 20 0 GGADHM COC(=O)c1nsc([N-]C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC000589826063 567193316 /nfs/dbraw/zinc/19/33/16/567193316.db2.gz DXGFSOULOQLEHX-UHFFFAOYSA-N -1 3 398.231 3.070 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC000524331445 567193334 /nfs/dbraw/zinc/19/33/34/567193334.db2.gz LDRHFOSMEIJZKB-KRWDZBQOSA-N -1 3 379.844 3.281 20 0 GGADHM C[C@H](c1cccc(Br)c1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000566843280 567196603 /nfs/dbraw/zinc/19/66/03/567196603.db2.gz QDRMMMGWVLTOQW-SNVBAGLBSA-N -1 3 397.294 3.498 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589888180 567197518 /nfs/dbraw/zinc/19/75/18/567197518.db2.gz DPZGZAINJFFLRT-ONGXEEELSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1)c1cc(Br)ccc1Cl ZINC000589887275 567197804 /nfs/dbraw/zinc/19/78/04/567197804.db2.gz JREOCPNAQUTCJI-UHFFFAOYSA-N -1 3 390.686 3.460 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@@H]1CC12CCCC2 ZINC000474763941 567197713 /nfs/dbraw/zinc/19/77/13/567197713.db2.gz UCCQXHYRHUIAFD-ZDUSSCGKSA-N -1 3 376.400 3.046 20 0 GGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000474782436 567198960 /nfs/dbraw/zinc/19/89/60/567198960.db2.gz XZFNMPJDKYRSRO-UHFFFAOYSA-N -1 3 385.203 3.076 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1F)c1ccc(Br)c(F)c1 ZINC000566889234 567199408 /nfs/dbraw/zinc/19/94/08/567199408.db2.gz KDUKKQAPIBUYAW-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COc1cccc(C(=O)N2CCOc3c(Br)cccc3C2)c1[O-] ZINC000684329905 567201031 /nfs/dbraw/zinc/20/10/31/567201031.db2.gz MXDRJSNGVBYADS-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000498800646 567203318 /nfs/dbraw/zinc/20/33/18/567203318.db2.gz AUZSQTHZXRDAPM-MRXNPFEDSA-N -1 3 380.535 3.416 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CN(C)C[C@@H]2c2ccccc2)c(Cl)cc1F ZINC000498848263 567204127 /nfs/dbraw/zinc/20/41/27/567204127.db2.gz CDMNENDIGPKDNX-RHSMWYFYSA-N -1 3 382.888 3.164 20 0 GGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590047905 567204142 /nfs/dbraw/zinc/20/41/42/567204142.db2.gz KYWNEQKPJIBEEV-STQMWFEESA-N -1 3 392.974 3.401 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1cccs1 ZINC000524585694 567204993 /nfs/dbraw/zinc/20/49/93/567204993.db2.gz XKCIHEJZPOLNAA-UHFFFAOYSA-N -1 3 378.397 3.320 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)N=c2nc(-c3cccs3)[n-]n2C)cc1 ZINC000432960386 567210128 /nfs/dbraw/zinc/21/01/28/567210128.db2.gz ODFUDFMUJGWXOW-GFCCVEGCSA-N -1 3 376.507 3.280 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1cccs1 ZINC000590153384 567210887 /nfs/dbraw/zinc/21/08/87/567210887.db2.gz YHLNNGWHTNRTHN-CYBMUJFWSA-N -1 3 389.445 3.410 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)cc1 ZINC000432973972 567210889 /nfs/dbraw/zinc/21/08/89/567210889.db2.gz XOUWADRHVLHVTH-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1ccccc1C(C)(C)C ZINC000432965670 567211337 /nfs/dbraw/zinc/21/13/37/567211337.db2.gz OPKBRQODMWLAGA-UHFFFAOYSA-N -1 3 376.507 3.064 20 0 GGADHM CN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](c2ccccc2)C1 ZINC000498908803 567211610 /nfs/dbraw/zinc/21/16/10/567211610.db2.gz UNNHMUIQRHLURW-CZUORRHYSA-N -1 3 385.316 3.370 20 0 GGADHM CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](c2ccccc2)C1 ZINC000498908802 567212126 /nfs/dbraw/zinc/21/21/26/567212126.db2.gz UNNHMUIQRHLURW-CJNGLKHVSA-N -1 3 385.316 3.370 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Cl ZINC000567063422 567213195 /nfs/dbraw/zinc/21/31/95/567213195.db2.gz XNIKGKJIQPFLSQ-WCQYABFASA-N -1 3 385.894 3.331 20 0 GGADHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000547474444 567213437 /nfs/dbraw/zinc/21/34/37/567213437.db2.gz JJQPVZMCYFGSMN-OAHLLOKOSA-N -1 3 399.285 3.053 20 0 GGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)n1 ZINC000567077770 567214849 /nfs/dbraw/zinc/21/48/49/567214849.db2.gz IDQJLUOPXZQFLN-CYBMUJFWSA-N -1 3 382.507 3.365 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc(C)n1 ZINC000567066808 567215581 /nfs/dbraw/zinc/21/55/81/567215581.db2.gz BJTMYDRZMPCGMI-UHFFFAOYSA-N -1 3 379.791 3.244 20 0 GGADHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3csc(=NC4CC4)[n-]3)n2)C1 ZINC000524852364 567216083 /nfs/dbraw/zinc/21/60/83/567216083.db2.gz PZKSGOVQRUSUIR-LLVKDONJSA-N -1 3 377.539 3.080 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(Br)cc2F)c(=O)[n-]1 ZINC000637726523 567216138 /nfs/dbraw/zinc/21/61/38/567216138.db2.gz VIINFLQCIKKAIV-UHFFFAOYSA-N -1 3 396.260 3.292 20 0 GGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(CSC2CCOCC2)c1 ZINC000524851980 567216231 /nfs/dbraw/zinc/21/62/31/567216231.db2.gz CZLMAXKBXSSWQY-QGZVFWFLSA-N -1 3 385.551 3.410 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000474981567 567216491 /nfs/dbraw/zinc/21/64/91/567216491.db2.gz VSJOOQMCFODDLI-UHFFFAOYSA-N -1 3 394.254 3.104 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1Cl ZINC000524840902 567216610 /nfs/dbraw/zinc/21/66/10/567216610.db2.gz WECGFFNZAOCVHT-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1C(N)=O ZINC000590264945 567218030 /nfs/dbraw/zinc/21/80/30/567218030.db2.gz UZYPGWLBQHKBTD-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1cc(F)ccc1F ZINC000524869916 567218036 /nfs/dbraw/zinc/21/80/36/567218036.db2.gz COAFLHWFMDCFBZ-GFCCVEGCSA-N -1 3 375.418 3.243 20 0 GGADHM O=S(=O)(Cc1cccc2cccnc21)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000524872078 567218047 /nfs/dbraw/zinc/21/80/47/567218047.db2.gz IAUUEOCUHPXARZ-UHFFFAOYSA-N -1 3 387.408 3.330 20 0 GGADHM COCCN1C(=O)c2ccccc2N[C@@H]1c1cc([O-])ccc1Br ZINC000567104174 567218096 /nfs/dbraw/zinc/21/80/96/567218096.db2.gz BVLCFHXQKAUMKF-INIZCTEOSA-N -1 3 377.238 3.368 20 0 GGADHM COCCN1C(=O)c2ccccc2N[C@H]1c1cc([O-])ccc1Br ZINC000567104175 567219049 /nfs/dbraw/zinc/21/90/49/567219049.db2.gz BVLCFHXQKAUMKF-MRXNPFEDSA-N -1 3 377.238 3.368 20 0 GGADHM CN(C)c1cc([N-]C(=O)c2ncoc2C(F)(F)F)ncc1Br ZINC000615995690 567219292 /nfs/dbraw/zinc/21/92/92/567219292.db2.gz ZHNSTKCLZFHPPK-UHFFFAOYSA-N -1 3 379.136 3.169 20 0 GGADHM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc2N1 ZINC000524882409 567219599 /nfs/dbraw/zinc/21/95/99/567219599.db2.gz STWCHXMFIDZYTH-UHFFFAOYSA-N -1 3 391.207 3.264 20 0 GGADHM Cc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000637793534 567220187 /nfs/dbraw/zinc/22/01/87/567220187.db2.gz NANZSWDPTRBCSE-UHFFFAOYSA-N -1 3 378.270 3.119 20 0 GGADHM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)C1 ZINC000684601058 567220559 /nfs/dbraw/zinc/22/05/59/567220559.db2.gz WKKXTLRDUAXGDR-CYBMUJFWSA-N -1 3 393.336 3.147 20 0 GGADHM CSc1nnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[n-]1 ZINC000499041422 567221483 /nfs/dbraw/zinc/22/14/83/567221483.db2.gz COKPNEWYBHPUFD-UHFFFAOYSA-N -1 3 376.873 3.164 20 0 GGADHM CSc1n[n-]c(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)n1 ZINC000499041422 567221490 /nfs/dbraw/zinc/22/14/90/567221490.db2.gz COKPNEWYBHPUFD-UHFFFAOYSA-N -1 3 376.873 3.164 20 0 GGADHM CSc1nc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)n[n-]1 ZINC000499041422 567221493 /nfs/dbraw/zinc/22/14/93/567221493.db2.gz COKPNEWYBHPUFD-UHFFFAOYSA-N -1 3 376.873 3.164 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000567136958 567222096 /nfs/dbraw/zinc/22/20/96/567222096.db2.gz QISRWUMLTVXELQ-UHFFFAOYSA-N -1 3 397.758 3.217 20 0 GGADHM CCn1cc(Br)cc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000590405576 567224309 /nfs/dbraw/zinc/22/43/09/567224309.db2.gz WDXLJYAOMDYFME-UHFFFAOYSA-N -1 3 378.205 3.447 20 0 GGADHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000684657506 567224902 /nfs/dbraw/zinc/22/49/02/567224902.db2.gz OZJWTQWVMKUPDN-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)c(F)ccc3Cl)ccc21 ZINC000433142062 567226702 /nfs/dbraw/zinc/22/67/02/567226702.db2.gz RLCIQAACYOBUBF-UHFFFAOYSA-N -1 3 382.844 3.497 20 0 GGADHM O=C([O-])C1(CN2CCc3cc(Br)c(Br)cc3C2)CC1 ZINC000659804430 567226927 /nfs/dbraw/zinc/22/69/27/567226927.db2.gz ZNCYBUSRMICTTM-UHFFFAOYSA-N -1 3 389.087 3.435 20 0 GGADHM CC(C)OC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000525082113 567227264 /nfs/dbraw/zinc/22/72/64/567227264.db2.gz GXWLTONBXCAUPD-UHFFFAOYSA-N -1 3 393.281 3.320 20 0 GGADHM COC(=O)CN(Cc1cccc(Br)c1)Cc1cc([O-])cc(F)c1 ZINC000475151843 567229205 /nfs/dbraw/zinc/22/92/05/567229205.db2.gz SEEAFUNAUACIKW-UHFFFAOYSA-N -1 3 382.229 3.469 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433175257 567229192 /nfs/dbraw/zinc/22/91/92/567229192.db2.gz PLCQCUXKPWRLSF-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM COC(=O)[C@H](NCc1ccc(OC)c([O-])c1Br)c1cccs1 ZINC000475155824 567229362 /nfs/dbraw/zinc/22/93/62/567229362.db2.gz LBSMWHRRJGNQJP-CYBMUJFWSA-N -1 3 386.267 3.229 20 0 GGADHM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000616164704 567229667 /nfs/dbraw/zinc/22/96/67/567229667.db2.gz GOJJIQXYSKCEDO-SNVBAGLBSA-N -1 3 378.416 3.480 20 0 GGADHM CCC(CC)[C@H](C(=O)Nc1ccc(Br)cc1[O-])N1CCOCC1 ZINC000525161407 567230821 /nfs/dbraw/zinc/23/08/21/567230821.db2.gz HRVUCCPUNMQUMH-MRXNPFEDSA-N -1 3 385.302 3.230 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000567264594 567231108 /nfs/dbraw/zinc/23/11/08/567231108.db2.gz DULQIIRJSKBORO-IUCAKERBSA-N -1 3 384.242 3.156 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000567264592 567231864 /nfs/dbraw/zinc/23/18/64/567231864.db2.gz DULQIIRJSKBORO-BDAKNGLRSA-N -1 3 384.242 3.156 20 0 GGADHM C[C@H]1CCC(C)(C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000616177301 567231932 /nfs/dbraw/zinc/23/19/32/567231932.db2.gz BVSHCFJIZZXQPH-NSHDSACASA-N -1 3 393.336 3.451 20 0 GGADHM O=C1[N-]C(=O)N2CCN(Cc3ccc(-c4ccc(Cl)c(Cl)c4)s3)C[C@@H]12 ZINC000499232913 567232366 /nfs/dbraw/zinc/23/23/66/567232366.db2.gz LKPOXZVJBQTEPA-AWEZNQCLSA-N -1 3 396.299 3.458 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000525183380 567232715 /nfs/dbraw/zinc/23/27/15/567232715.db2.gz CRHXMVIVVNYULF-UHFFFAOYSA-N -1 3 382.898 3.078 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1ccc(Br)cn1 ZINC000525174815 567232734 /nfs/dbraw/zinc/23/27/34/567232734.db2.gz ZBPIGDPAUPLDIF-CYBMUJFWSA-N -1 3 383.267 3.036 20 0 GGADHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000525185323 567232926 /nfs/dbraw/zinc/23/29/26/567232926.db2.gz ZZXVTSOPUDRDOM-UHFFFAOYSA-N -1 3 379.290 3.492 20 0 GGADHM O=C([O-])CCC1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567279776 567233089 /nfs/dbraw/zinc/23/30/89/567233089.db2.gz AZVFRIVHAHLCNV-AWEZNQCLSA-N -1 3 376.280 3.310 20 0 GGADHM C[C@@](CO)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000684761780 567234281 /nfs/dbraw/zinc/23/42/81/567234281.db2.gz SAGZZZNCCFYFNC-HNNXBMFYSA-N -1 3 378.252 3.319 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCSCC1 ZINC000547642005 567235007 /nfs/dbraw/zinc/23/50/07/567235007.db2.gz OXPPRMUSSXMBNJ-UHFFFAOYSA-N -1 3 399.921 3.210 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000684765188 567235157 /nfs/dbraw/zinc/23/51/57/567235157.db2.gz WOLKTCRMADTVGQ-GOEBONIOSA-N -1 3 382.844 3.272 20 0 GGADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC000590611382 567235384 /nfs/dbraw/zinc/23/53/84/567235384.db2.gz XTGZVZRONVJPNL-NSHDSACASA-N -1 3 388.272 3.284 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000499274466 567235521 /nfs/dbraw/zinc/23/55/21/567235521.db2.gz QXZFAZQOQSEGAD-UHFFFAOYSA-N -1 3 379.825 3.112 20 0 GGADHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cc1 ZINC000684764456 567235631 /nfs/dbraw/zinc/23/56/31/567235631.db2.gz KONHDZZQCSFJKP-LBPRGKRZSA-N -1 3 398.575 3.188 20 0 GGADHM O=C(NCC(C1CC1)C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525218732 567237383 /nfs/dbraw/zinc/23/73/83/567237383.db2.gz NXOCDJDVXJPLNS-UHFFFAOYSA-N -1 3 375.266 3.457 20 0 GGADHM CCc1nc(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)cn1CC1CC1 ZINC000659914239 567237843 /nfs/dbraw/zinc/23/78/43/567237843.db2.gz JKFHQTGQMOOWHU-INIZCTEOSA-N -1 3 380.539 3.050 20 0 GGADHM CCc1nc(S(=O)(=O)[N-][C@@](C)(CC)c2nc(C)cs2)cn1CC1CC1 ZINC000659915228 567238486 /nfs/dbraw/zinc/23/84/86/567238486.db2.gz RQSMSDXQYBYYRY-KRWDZBQOSA-N -1 3 382.555 3.224 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)c1ccc(Cl)s1 ZINC000659907953 567238955 /nfs/dbraw/zinc/23/89/55/567238955.db2.gz BOVZQMISABCRDS-IUODEOHRSA-N -1 3 381.947 3.356 20 0 GGADHM CCCCOCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000567368055 567239664 /nfs/dbraw/zinc/23/96/64/567239664.db2.gz KHPIJRWRNDBYIX-UHFFFAOYSA-N -1 3 398.294 3.082 20 0 GGADHM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)CCOC1 ZINC000659922944 567241009 /nfs/dbraw/zinc/24/10/09/567241009.db2.gz QUWAORYGSDRSIO-LRDDRELGSA-N -1 3 379.881 3.044 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccs1 ZINC000590741522 567242900 /nfs/dbraw/zinc/24/29/00/567242900.db2.gz FCROKGQRQLICRT-CYBMUJFWSA-N -1 3 391.873 3.264 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1cccs1 ZINC000590741572 567242944 /nfs/dbraw/zinc/24/29/44/567242944.db2.gz LNAKZSVLYTXGKM-NEPJUHHUSA-N -1 3 381.466 3.097 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1cccs1 ZINC000590741575 567243090 /nfs/dbraw/zinc/24/30/90/567243090.db2.gz LNAKZSVLYTXGKM-VXGBXAGGSA-N -1 3 381.466 3.097 20 0 GGADHM CCn1cccc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1=O ZINC000433352034 567243671 /nfs/dbraw/zinc/24/36/71/567243671.db2.gz LDEAXCDCXAASDW-UHFFFAOYSA-N -1 3 382.894 3.215 20 0 GGADHM CCn1cccc(C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)c1=O ZINC000433345167 567244605 /nfs/dbraw/zinc/24/46/05/567244605.db2.gz WPARLQFOPIXJPE-UHFFFAOYSA-N -1 3 380.853 3.055 20 0 GGADHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000567431323 567244621 /nfs/dbraw/zinc/24/46/21/567244621.db2.gz DTXLWGICBXYISS-UHFFFAOYSA-N -1 3 378.148 3.317 20 0 GGADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1cc(Br)cc2cccnc21 ZINC000567417446 567244922 /nfs/dbraw/zinc/24/49/22/567244922.db2.gz GUUPDIYYBODHRF-UHFFFAOYSA-N -1 3 391.237 3.321 20 0 GGADHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cn1 ZINC000433362120 567245667 /nfs/dbraw/zinc/24/56/67/567245667.db2.gz DTLOHZPXXRNTFS-UHFFFAOYSA-N -1 3 388.276 3.134 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000433362937 567245845 /nfs/dbraw/zinc/24/58/45/567245845.db2.gz PWHCQOLNHMSJNM-GFCCVEGCSA-N -1 3 393.958 3.318 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1cncc(F)c1 ZINC000684917246 567245957 /nfs/dbraw/zinc/24/59/57/567245957.db2.gz NIYAAWWLGILMIN-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1C ZINC000590793992 567247864 /nfs/dbraw/zinc/24/78/64/567247864.db2.gz FNKRJVSPSMYPIB-UHFFFAOYSA-N -1 3 379.379 3.156 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@@H]2CCCc3sc(Cl)cc32)cc1OC(F)F ZINC000455219535 567248245 /nfs/dbraw/zinc/24/82/45/567248245.db2.gz XULVUVXHKXCSQQ-MRVPVSSYSA-N -1 3 376.816 3.357 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CN1C1CC1 ZINC000433435221 567248821 /nfs/dbraw/zinc/24/88/21/567248821.db2.gz GSNIXASWZZYYHY-YUMQZZPRSA-N -1 3 399.763 3.068 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CN1C1CC1 ZINC000433435219 567249492 /nfs/dbraw/zinc/24/94/92/567249492.db2.gz GSNIXASWZZYYHY-JGVFFNPUSA-N -1 3 399.763 3.068 20 0 GGADHM CSc1nnc(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)[n-]1 ZINC000684964209 567249511 /nfs/dbraw/zinc/24/95/11/567249511.db2.gz GTIRBWUWUAWNIZ-IAQYHMDHSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)n1 ZINC000684964209 567249516 /nfs/dbraw/zinc/24/95/16/567249516.db2.gz GTIRBWUWUAWNIZ-IAQYHMDHSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1nc(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)n[n-]1 ZINC000684964209 567249519 /nfs/dbraw/zinc/24/95/19/567249519.db2.gz GTIRBWUWUAWNIZ-IAQYHMDHSA-N -1 3 379.283 3.132 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1ccc(F)cc1Cl ZINC000433452031 567250472 /nfs/dbraw/zinc/25/04/72/567250472.db2.gz SYSQTPBCHVDBDP-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1nnc(SCCO)[n-]1 ZINC000475453506 567250444 /nfs/dbraw/zinc/25/04/44/567250444.db2.gz YGBDHMZTXRDKJV-UHFFFAOYSA-N -1 3 393.321 3.068 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1nc(SCCO)n[n-]1 ZINC000475453506 567250446 /nfs/dbraw/zinc/25/04/46/567250446.db2.gz YGBDHMZTXRDKJV-UHFFFAOYSA-N -1 3 393.321 3.068 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1n[n-]c(SCCO)n1 ZINC000475453506 567250455 /nfs/dbraw/zinc/25/04/55/567250455.db2.gz YGBDHMZTXRDKJV-UHFFFAOYSA-N -1 3 393.321 3.068 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2Cl)c1 ZINC000685001858 567251136 /nfs/dbraw/zinc/25/11/36/567251136.db2.gz UGRWQAATIFCWRQ-UHFFFAOYSA-N -1 3 395.637 3.446 20 0 GGADHM COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ncccc1[O-] ZINC000525491850 567252170 /nfs/dbraw/zinc/25/21/70/567252170.db2.gz BLJWMMILBLDGCK-CYBMUJFWSA-N -1 3 379.254 3.384 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c[nH]c1=O ZINC000685001709 567252267 /nfs/dbraw/zinc/25/22/67/567252267.db2.gz QQGYWRHOIUFQSA-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM CCC[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OCC ZINC000433475286 567252286 /nfs/dbraw/zinc/25/22/86/567252286.db2.gz QDNRZKXJHRQICB-SNVBAGLBSA-N -1 3 398.344 3.077 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCCOC2)c1Cl ZINC000660051282 567252333 /nfs/dbraw/zinc/25/23/33/567252333.db2.gz AIIFTFYGLNRWTR-INIZCTEOSA-N -1 3 396.336 3.148 20 0 GGADHM CNC(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000660048307 567252428 /nfs/dbraw/zinc/25/24/28/567252428.db2.gz DCYVCMQLDIYSDD-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM COc1cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)sn1 ZINC000660046595 567252687 /nfs/dbraw/zinc/25/26/87/567252687.db2.gz XZGJNWWZMMCVCM-UHFFFAOYSA-N -1 3 381.885 3.361 20 0 GGADHM CNC(=O)CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCCC1 ZINC000660049082 567252735 /nfs/dbraw/zinc/25/27/35/567252735.db2.gz NGBCGWHSPSDPIU-UHFFFAOYSA-N -1 3 398.472 3.132 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2ccc(Cl)cc2)c(C)o1 ZINC000475500002 567253322 /nfs/dbraw/zinc/25/33/22/567253322.db2.gz CDSKYOFGEUOLRD-UHFFFAOYSA-N -1 3 384.885 3.452 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000660064041 567255511 /nfs/dbraw/zinc/25/55/11/567255511.db2.gz ZECVYCZQBOQUGE-SNVBAGLBSA-N -1 3 381.306 3.024 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000525584457 567255690 /nfs/dbraw/zinc/25/56/90/567255690.db2.gz IGYASEMYPWGONB-LBPRGKRZSA-N -1 3 381.523 3.219 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000660063332 567256082 /nfs/dbraw/zinc/25/60/82/567256082.db2.gz SLQZIVDUXFSLPK-SMDDNHRTSA-N -1 3 384.325 3.007 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](OC)[C@@H](C)CC)c(F)cc1F ZINC000475535290 567256083 /nfs/dbraw/zinc/25/60/83/567256083.db2.gz GCWOAVDASLORRA-ZUZCIYMTSA-N -1 3 378.441 3.116 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1Cl)C1CCCC1 ZINC000660063170 567256142 /nfs/dbraw/zinc/25/61/42/567256142.db2.gz RDIIALBBTGGXJG-CABCVRRESA-N -1 3 396.336 3.151 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000660077993 567257869 /nfs/dbraw/zinc/25/78/69/567257869.db2.gz ZTGCQDZSICHDGU-UHFFFAOYSA-N -1 3 387.885 3.259 20 0 GGADHM O=C(Cc1c(Cl)cccc1Br)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616824830 567258116 /nfs/dbraw/zinc/25/81/16/567258116.db2.gz ORRKTXHJKGZVFZ-ZDUSSCGKSA-N -1 3 384.661 3.280 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000660077720 567258630 /nfs/dbraw/zinc/25/86/30/567258630.db2.gz VFCQRIPTEWKJPG-UHFFFAOYSA-N -1 3 392.246 3.101 20 0 GGADHM CCC(CC)(NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)c(Cl)c1 ZINC000590918859 567258777 /nfs/dbraw/zinc/25/87/77/567258777.db2.gz IEFRPEVQYOSGPN-ZDUSSCGKSA-N -1 3 386.279 3.113 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000660077710 567258828 /nfs/dbraw/zinc/25/88/28/567258828.db2.gz UYWQEJDFYWTPRN-CYBMUJFWSA-N -1 3 387.885 3.258 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000475575340 567258920 /nfs/dbraw/zinc/25/89/20/567258920.db2.gz NNOQOMMMHAAZOK-UHFFFAOYSA-N -1 3 384.860 3.485 20 0 GGADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)n1 ZINC000475577845 567259391 /nfs/dbraw/zinc/25/93/91/567259391.db2.gz IQJWNQBQQBYRGZ-VIFPVBQESA-N -1 3 396.266 3.333 20 0 GGADHM C[C@@H]1CSc2ccccc2N(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000616829342 567259845 /nfs/dbraw/zinc/25/98/45/567259845.db2.gz NXQJDKBVDFTBSC-ZDUSSCGKSA-N -1 3 396.559 3.192 20 0 GGADHM O=c1nc(CS(=O)(=O)c2ccccc2)[n-]c2sc3c(c21)CCSC3 ZINC000685189950 567260409 /nfs/dbraw/zinc/26/04/09/567260409.db2.gz YBTUEBAZOXBGFK-UHFFFAOYSA-N -1 3 378.500 3.160 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1nccn1C ZINC000660100525 567261539 /nfs/dbraw/zinc/26/15/39/567261539.db2.gz MFGQLDSZJVYAML-SSDOTTSWSA-N -1 3 396.669 3.015 20 0 GGADHM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000660112201 567263025 /nfs/dbraw/zinc/26/30/25/567263025.db2.gz IBGVPFDVKRQZCJ-ZYHUDNBSSA-N -1 3 379.425 3.210 20 0 GGADHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433625924 567263289 /nfs/dbraw/zinc/26/32/89/567263289.db2.gz ORZRJIFFKYVDNO-UHFFFAOYSA-N -1 3 388.942 3.482 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]Cc2cccc(COC[C@@H]3CCCO3)c2)c1 ZINC000660131419 567265134 /nfs/dbraw/zinc/26/51/34/567265134.db2.gz XJZYVMKGPKDCAD-KRWDZBQOSA-N -1 3 381.519 3.231 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]CC2(c3ccccc3Br)CCC2)on1 ZINC000567665869 567265215 /nfs/dbraw/zinc/26/52/15/567265215.db2.gz ABKFGSGQPXDSFO-UHFFFAOYSA-N -1 3 399.310 3.287 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)sc1Br ZINC000433658321 567265802 /nfs/dbraw/zinc/26/58/02/567265802.db2.gz BKBCZCOMDIRKMI-VIFPVBQESA-N -1 3 398.344 3.218 20 0 GGADHM CSc1nnc(NC(=O)CCSc2ncnc3sc(C)c(C)c32)[n-]1 ZINC000591167432 567268617 /nfs/dbraw/zinc/26/86/17/567268617.db2.gz HPGIHLXJGUJHSY-UHFFFAOYSA-N -1 3 380.524 3.269 20 0 GGADHM CSc1n[n-]c(NC(=O)CCSc2ncnc3sc(C)c(C)c32)n1 ZINC000591167432 567268620 /nfs/dbraw/zinc/26/86/20/567268620.db2.gz HPGIHLXJGUJHSY-UHFFFAOYSA-N -1 3 380.524 3.269 20 0 GGADHM CSc1nc(NC(=O)CCSc2ncnc3sc(C)c(C)c32)n[n-]1 ZINC000591167432 567268624 /nfs/dbraw/zinc/26/86/24/567268624.db2.gz HPGIHLXJGUJHSY-UHFFFAOYSA-N -1 3 380.524 3.269 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000499743200 567269291 /nfs/dbraw/zinc/26/92/91/567269291.db2.gz BWOQRPWBICJMPY-HWPZZCPQSA-N -1 3 385.894 3.402 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C)o1 ZINC000499744666 567270558 /nfs/dbraw/zinc/27/05/58/567270558.db2.gz VQBROTQPTGOEHC-QGHHPUGFSA-N -1 3 383.853 3.242 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C)o1 ZINC000499744663 567270684 /nfs/dbraw/zinc/27/06/84/567270684.db2.gz VQBROTQPTGOEHC-BMLIUANNSA-N -1 3 383.853 3.242 20 0 GGADHM Cc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1I ZINC000525864764 567271226 /nfs/dbraw/zinc/27/12/26/567271226.db2.gz UOAZQDDPBWQGCK-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1I ZINC000525864764 567271230 /nfs/dbraw/zinc/27/12/30/567271230.db2.gz UOAZQDDPBWQGCK-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1I ZINC000525864764 567271234 /nfs/dbraw/zinc/27/12/34/567271234.db2.gz UOAZQDDPBWQGCK-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM C[C@H]1C[C@@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CO1 ZINC000685384320 567271545 /nfs/dbraw/zinc/27/15/45/567271545.db2.gz IOWDZNVYDATEOQ-WCBMZHEXSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1C[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CO1 ZINC000685384320 567271549 /nfs/dbraw/zinc/27/15/49/567271549.db2.gz IOWDZNVYDATEOQ-WCBMZHEXSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1C[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CO1 ZINC000685384320 567271554 /nfs/dbraw/zinc/27/15/54/567271554.db2.gz IOWDZNVYDATEOQ-WCBMZHEXSA-N -1 3 376.214 3.177 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000499769280 567272746 /nfs/dbraw/zinc/27/27/46/567272746.db2.gz ZXSMLMGAFQLSBK-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CC[C@@H](C)N(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000616985838 567273154 /nfs/dbraw/zinc/27/31/54/567273154.db2.gz DWLDAKYDPUMTFN-LLVKDONJSA-N -1 3 381.325 3.309 20 0 GGADHM COc1ccc2c(NCc3ccc([O-])c(Br)c3)ncnc2c1F ZINC000499805157 567273541 /nfs/dbraw/zinc/27/35/41/567273541.db2.gz YJNRTGMIRJZZKT-UHFFFAOYSA-N -1 3 378.201 3.280 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000433812421 567273918 /nfs/dbraw/zinc/27/39/18/567273918.db2.gz NQFDIUISRKHLFW-KRWDZBQOSA-N -1 3 379.551 3.184 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000475769889 567274661 /nfs/dbraw/zinc/27/46/61/567274661.db2.gz HSWABMALKXCPMM-JTQLQIEISA-N -1 3 388.258 3.203 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000548041009 567274741 /nfs/dbraw/zinc/27/47/41/567274741.db2.gz HMFGFKYPOODHNT-UHFFFAOYSA-N -1 3 377.491 3.167 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)c1ccccc1 ZINC000591325737 567275044 /nfs/dbraw/zinc/27/50/44/567275044.db2.gz UVOQMDYNDZZBOC-CRAIPNDOSA-N -1 3 379.865 3.135 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000591327281 567275062 /nfs/dbraw/zinc/27/50/62/567275062.db2.gz IJMMKZXJGUANKF-UHFFFAOYSA-N -1 3 389.901 3.141 20 0 GGADHM O=C1CCCCN1CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433826134 567275495 /nfs/dbraw/zinc/27/54/95/567275495.db2.gz LNQVAWYHCOPTQO-UHFFFAOYSA-N -1 3 386.926 3.236 20 0 GGADHM CC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)F)CCCCC1 ZINC000475777027 567275695 /nfs/dbraw/zinc/27/56/95/567275695.db2.gz IREQHNRHHNQIQF-HOTGVXAUSA-N -1 3 375.481 3.114 20 0 GGADHM CC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)F)CCCCC1 ZINC000475777026 567275945 /nfs/dbraw/zinc/27/59/45/567275945.db2.gz IREQHNRHHNQIQF-CVEARBPZSA-N -1 3 375.481 3.114 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(CC2CC2)C1)c1cc(Cl)sc1Cl ZINC000660180050 567277009 /nfs/dbraw/zinc/27/70/09/567277009.db2.gz UZQSBVNDVIUEMI-LLVKDONJSA-N -1 3 383.366 3.455 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000567777216 567277322 /nfs/dbraw/zinc/27/73/22/567277322.db2.gz ABHOCZZGLCYCHD-DZGCQCFKSA-N -1 3 379.865 3.269 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(CC2CC2)C1)c1c(Cl)cccc1Cl ZINC000660180052 567277292 /nfs/dbraw/zinc/27/72/92/567277292.db2.gz UZZSMJNXFOKTAS-CYBMUJFWSA-N -1 3 377.337 3.394 20 0 GGADHM Cc1ncsc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367216 567277773 /nfs/dbraw/zinc/27/77/73/567277773.db2.gz JVPMZZDCLAOCHL-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000548077001 567278492 /nfs/dbraw/zinc/27/84/92/567278492.db2.gz FTUFGMWVPXUIEE-QAPCUYQASA-N -1 3 376.250 3.344 20 0 GGADHM CC(C)[C@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000548074347 567278946 /nfs/dbraw/zinc/27/89/46/567278946.db2.gz RORHZMFQPMNHGM-HZPDHXFCSA-N -1 3 378.519 3.027 20 0 GGADHM Cc1nc(NC(=O)c2cnn[n-]2)sc1Cc1cccc(Br)c1 ZINC000617060667 567279291 /nfs/dbraw/zinc/27/92/91/567279291.db2.gz HNECNDIIEANVQA-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM Cc1nc(NC(=O)c2c[n-]nn2)sc1Cc1cccc(Br)c1 ZINC000617060667 567279292 /nfs/dbraw/zinc/27/92/92/567279292.db2.gz HNECNDIIEANVQA-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM Cc1nc(NC(=O)c2cn[n-]n2)sc1Cc1cccc(Br)c1 ZINC000617060667 567279294 /nfs/dbraw/zinc/27/92/94/567279294.db2.gz HNECNDIIEANVQA-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2sccc2C)cc1Cl ZINC000591388641 567279840 /nfs/dbraw/zinc/27/98/40/567279840.db2.gz SDBXZXTYURPBAT-UHFFFAOYSA-N -1 3 376.862 3.286 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000591388751 567280136 /nfs/dbraw/zinc/28/01/36/567280136.db2.gz WXRZXMPKOHBOFW-UHFFFAOYSA-N -1 3 384.860 3.485 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)cc1Cl ZINC000591389491 567280271 /nfs/dbraw/zinc/28/02/71/567280271.db2.gz YCAMVOVTKNUERG-UHFFFAOYSA-N -1 3 392.786 3.194 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCc2cc(Cl)c3c(c2)OCCO3)c(F)c1 ZINC000591387354 567280530 /nfs/dbraw/zinc/28/05/30/567280530.db2.gz LEFYSOVUKWEPNM-UHFFFAOYSA-N -1 3 385.844 3.080 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)s1 ZINC000591393980 567280580 /nfs/dbraw/zinc/28/05/80/567280580.db2.gz KRYXBHDAEFJCQL-LLVKDONJSA-N -1 3 382.482 3.052 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C)s1 ZINC000591399584 567281784 /nfs/dbraw/zinc/28/17/84/567281784.db2.gz RPGLQDCLDUYWBQ-BLLLJJGKSA-N -1 3 378.519 3.219 20 0 GGADHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000591395052 567281868 /nfs/dbraw/zinc/28/18/68/567281868.db2.gz PGGLUZJCIMFQIN-UHFFFAOYSA-N -1 3 399.310 3.152 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1[O-] ZINC000499935039 567285941 /nfs/dbraw/zinc/28/59/41/567285941.db2.gz TZQGDKJWTQACMH-HNNXBMFYSA-N -1 3 375.266 3.472 20 0 GGADHM CCCC[C@H](SCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1)C(=O)OC ZINC000475894293 567285889 /nfs/dbraw/zinc/28/58/89/567285889.db2.gz DSSPBXXBOKHQSN-NSHDSACASA-N -1 3 382.507 3.461 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ncccc3N(C)C)s2)cs1 ZINC000685602137 567287042 /nfs/dbraw/zinc/28/70/42/567287042.db2.gz MAWKDUTYXHEKBH-UHFFFAOYSA-N -1 3 394.547 3.120 20 0 GGADHM COC(=O)c1cc(C)nc2nc([N-]C(=O)c3occc3Br)sc21 ZINC000434005927 567288018 /nfs/dbraw/zinc/28/80/18/567288018.db2.gz KJHNESARQYCXKF-UHFFFAOYSA-N -1 3 396.222 3.394 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000567903830 567288318 /nfs/dbraw/zinc/28/83/18/567288318.db2.gz BLYCKSZTNXOEHT-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM CCCCn1c(=O)[n-]nc1SCC(=O)Cc1ccc(Br)cc1 ZINC000475942436 567289062 /nfs/dbraw/zinc/28/90/62/567289062.db2.gz XNJMFLRYHUAYMN-UHFFFAOYSA-N -1 3 384.299 3.450 20 0 GGADHM CSc1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000685622231 567289163 /nfs/dbraw/zinc/28/91/63/567289163.db2.gz HZGJLJKTEHEABQ-UHFFFAOYSA-N -1 3 394.946 3.331 20 0 GGADHM CSc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000685619404 567289180 /nfs/dbraw/zinc/28/91/80/567289180.db2.gz GHADJYCVBMXNMO-UHFFFAOYSA-N -1 3 382.985 3.253 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1Br ZINC000500001803 567290783 /nfs/dbraw/zinc/29/07/83/567290783.db2.gz QUTIPWQFPNLYRI-MRVPVSSYSA-N -1 3 393.216 3.359 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1Br ZINC000500001803 567290790 /nfs/dbraw/zinc/29/07/90/567290790.db2.gz QUTIPWQFPNLYRI-MRVPVSSYSA-N -1 3 393.216 3.359 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1Br ZINC000500001803 567290795 /nfs/dbraw/zinc/29/07/95/567290795.db2.gz QUTIPWQFPNLYRI-MRVPVSSYSA-N -1 3 393.216 3.359 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1Br ZINC000500001805 567290977 /nfs/dbraw/zinc/29/09/77/567290977.db2.gz QUTIPWQFPNLYRI-QMMMGPOBSA-N -1 3 393.216 3.359 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1Br ZINC000500001805 567290983 /nfs/dbraw/zinc/29/09/83/567290983.db2.gz QUTIPWQFPNLYRI-QMMMGPOBSA-N -1 3 393.216 3.359 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1Br ZINC000500001805 567290987 /nfs/dbraw/zinc/29/09/87/567290987.db2.gz QUTIPWQFPNLYRI-QMMMGPOBSA-N -1 3 393.216 3.359 20 0 GGADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000567932726 567292173 /nfs/dbraw/zinc/29/21/73/567292173.db2.gz UVQMOYFZUQOMAP-SECBINFHSA-N -1 3 390.203 3.441 20 0 GGADHM CCC(CC)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1cccs1 ZINC000434100422 567294181 /nfs/dbraw/zinc/29/41/81/567294181.db2.gz UAJJPCGESXNSFH-INIZCTEOSA-N -1 3 384.523 3.465 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2cccs2)c(C)o1 ZINC000434101708 567294563 /nfs/dbraw/zinc/29/45/63/567294563.db2.gz KKMLUASOWAERTG-UHFFFAOYSA-N -1 3 376.459 3.477 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)CCCC1 ZINC000567974994 567295153 /nfs/dbraw/zinc/29/51/53/567295153.db2.gz GFJBSFUTFYXULZ-UHFFFAOYSA-N -1 3 377.409 3.072 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc2nn[n-]c21 ZINC000526124176 567295075 /nfs/dbraw/zinc/29/50/75/567295075.db2.gz ILKJYUYVPHIIPF-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc2[n-]nnc21 ZINC000526124176 567295081 /nfs/dbraw/zinc/29/50/81/567295081.db2.gz ILKJYUYVPHIIPF-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc2n[n-]nc21 ZINC000526124176 567295086 /nfs/dbraw/zinc/29/50/86/567295086.db2.gz ILKJYUYVPHIIPF-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2nc3cccnc3s2)nc1C(C)(C)C ZINC000500085048 567297935 /nfs/dbraw/zinc/29/79/35/567297935.db2.gz YFGCSYJVSLFPFW-UHFFFAOYSA-N -1 3 376.463 3.484 20 0 GGADHM O=S(=O)([N-]CCCSc1ccccn1)c1cc(F)ccc1OC(F)F ZINC000568033487 567299331 /nfs/dbraw/zinc/29/93/31/567299331.db2.gz OHYCLUUEXSHUIP-UHFFFAOYSA-N -1 3 392.424 3.283 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)cc1Cl ZINC000591817729 567300266 /nfs/dbraw/zinc/30/02/66/567300266.db2.gz ZIFXRUXALHPUKI-GFCCVEGCSA-N -1 3 395.352 3.401 20 0 GGADHM CCC(C)(C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000526940385 567300314 /nfs/dbraw/zinc/30/03/14/567300314.db2.gz DLLUNEBPRLOERW-UHFFFAOYSA-N -1 3 381.325 3.309 20 0 GGADHM CCCSc1nc(=NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)s[n-]1 ZINC000476153898 567300227 /nfs/dbraw/zinc/30/02/27/567300227.db2.gz NIDYDAFPPRRPAC-GXTWGEPZSA-N -1 3 379.555 3.275 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c1C ZINC000591818345 567300471 /nfs/dbraw/zinc/30/04/71/567300471.db2.gz GVLZWHJBXAAMGX-UHFFFAOYSA-N -1 3 392.308 3.314 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)cc1Cl ZINC000591817604 567300594 /nfs/dbraw/zinc/30/05/94/567300594.db2.gz GUXADVLGDDGZPR-ZETCQYMHSA-N -1 3 396.214 3.248 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000500113512 567301242 /nfs/dbraw/zinc/30/12/42/567301242.db2.gz VUBJCMVAFWDEOU-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM COC(=O)[C@](C)([N-]S(=O)(=O)CC1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000476174019 567301904 /nfs/dbraw/zinc/30/19/04/567301904.db2.gz YULHXSZZTRYGQY-OAHLLOKOSA-N -1 3 380.293 3.101 20 0 GGADHM COC(=O)[C@@](C)([N-]S(=O)(=O)CCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000476173970 567302061 /nfs/dbraw/zinc/30/20/61/567302061.db2.gz ZXUUKIQUPMJADU-HNNXBMFYSA-N -1 3 380.293 3.101 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000500139746 567302677 /nfs/dbraw/zinc/30/26/77/567302677.db2.gz AJGDOJXDOIIQLK-ZDUSSCGKSA-N -1 3 382.423 3.387 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1Cl)c1cncc(Br)c1 ZINC000500149381 567302989 /nfs/dbraw/zinc/30/29/89/567302989.db2.gz SVGHKVSKRIHKIM-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM Cn1nc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000476204875 567304916 /nfs/dbraw/zinc/30/49/16/567304916.db2.gz SFAKIKZBOOJUKU-UHFFFAOYSA-N -1 3 384.288 3.401 20 0 GGADHM CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000500182400 567305140 /nfs/dbraw/zinc/30/51/40/567305140.db2.gz LHPHUBOVBAKAHG-UHFFFAOYSA-N -1 3 384.318 3.172 20 0 GGADHM CCCN(CCN1CCCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000500182400 567305147 /nfs/dbraw/zinc/30/51/47/567305147.db2.gz LHPHUBOVBAKAHG-UHFFFAOYSA-N -1 3 384.318 3.172 20 0 GGADHM Cc1cc(Br)ccc1CN(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000434345635 567305176 /nfs/dbraw/zinc/30/51/76/567305176.db2.gz BPAFFYLVTUWVRF-UHFFFAOYSA-N -1 3 389.253 3.017 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(Br)cc1F ZINC000476212194 567305154 /nfs/dbraw/zinc/30/51/54/567305154.db2.gz YZTFBTFOFGXXMG-LBPRGKRZSA-N -1 3 390.205 3.139 20 0 GGADHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)N1CCCCC1 ZINC000476214056 567305220 /nfs/dbraw/zinc/30/52/20/567305220.db2.gz CNTSMIXWTIEIFD-LBPRGKRZSA-N -1 3 393.322 3.131 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000476201504 567305296 /nfs/dbraw/zinc/30/52/96/567305296.db2.gz RBXOQNVCBBJOEI-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)nc2cccc(Cl)c21 ZINC000476215505 567305628 /nfs/dbraw/zinc/30/56/28/567305628.db2.gz FMVCYIHFBDOUCM-UHFFFAOYSA-N -1 3 389.786 3.123 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000434338022 567305880 /nfs/dbraw/zinc/30/58/80/567305880.db2.gz GXZMUFOATZJKDM-SNVBAGLBSA-N -1 3 390.889 3.005 20 0 GGADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000548303131 567306201 /nfs/dbraw/zinc/30/62/01/567306201.db2.gz MPNWGVUNNJBWKJ-QMMMGPOBSA-N -1 3 378.807 3.158 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCC[C@@H](F)C1 ZINC000568138615 567307231 /nfs/dbraw/zinc/30/72/31/567307231.db2.gz RMWQZIUWIFBBQJ-CYBMUJFWSA-N -1 3 388.530 3.323 20 0 GGADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)c1 ZINC000527034986 567307560 /nfs/dbraw/zinc/30/75/60/567307560.db2.gz TVOPCMZBXVHFDM-UHFFFAOYSA-N -1 3 397.865 3.241 20 0 GGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000685916505 567310212 /nfs/dbraw/zinc/31/02/12/567310212.db2.gz YWQMZJPHAQWQFL-UHFFFAOYSA-N -1 3 382.482 3.440 20 0 GGADHM Oc1[n-]c(N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)nc2nncc1-2 ZINC000527073645 567311479 /nfs/dbraw/zinc/31/14/79/567311479.db2.gz PJIIDNCZWRGUAQ-UHFFFAOYSA-N -1 3 379.251 3.082 20 0 GGADHM Cn1cc(Br)cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1=O ZINC000476285859 567311661 /nfs/dbraw/zinc/31/16/61/567311661.db2.gz KKHURMPRONKKSS-UHFFFAOYSA-N -1 3 391.143 3.125 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(c2ccccc2Cl)CC1 ZINC000592067401 567313292 /nfs/dbraw/zinc/31/32/92/567313292.db2.gz ORVKOOSUBXUMLS-LBPRGKRZSA-N -1 3 399.818 3.133 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)nc1 ZINC000568241192 567314148 /nfs/dbraw/zinc/31/41/48/567314148.db2.gz DKLKIZNVRPXSBF-UHFFFAOYSA-N -1 3 382.869 3.124 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccc(Cl)cc1 ZINC000476313810 567314753 /nfs/dbraw/zinc/31/47/53/567314753.db2.gz KTHGZCOVQVLSCD-HNNXBMFYSA-N -1 3 385.844 3.370 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000476332187 567316205 /nfs/dbraw/zinc/31/62/05/567316205.db2.gz CUOJRJBVPNMIEW-LBPRGKRZSA-N -1 3 389.851 3.056 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000639666686 567316513 /nfs/dbraw/zinc/31/65/13/567316513.db2.gz OBYMTRNHBDXYSF-CYBMUJFWSA-N -1 3 386.279 3.062 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000639666688 567317116 /nfs/dbraw/zinc/31/71/16/567317116.db2.gz OBYMTRNHBDXYSF-ZDUSSCGKSA-N -1 3 386.279 3.062 20 0 GGADHM O=C(NCC1(c2ccccc2Br)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568291446 567318724 /nfs/dbraw/zinc/31/87/24/567318724.db2.gz JWCQLWMCXXHUJN-UHFFFAOYSA-N -1 3 388.265 3.284 20 0 GGADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500420118 567318804 /nfs/dbraw/zinc/31/88/04/567318804.db2.gz CYNMGAGMMVDFOM-JTQLQIEISA-N -1 3 380.413 3.056 20 0 GGADHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500420121 567319017 /nfs/dbraw/zinc/31/90/17/567319017.db2.gz CYNMGAGMMVDFOM-SNVBAGLBSA-N -1 3 380.413 3.056 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OC ZINC000500414191 567319034 /nfs/dbraw/zinc/31/90/34/567319034.db2.gz GESONWGNEFQYRW-HNNXBMFYSA-N -1 3 388.898 3.084 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C[C@@H](C)S1 ZINC000527176965 567319201 /nfs/dbraw/zinc/31/92/01/567319201.db2.gz XRAUIVGCNPJLJK-NXEZZACHSA-N -1 3 396.456 3.043 20 0 GGADHM O=S(=O)([N-]CCN1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500416100 567319616 /nfs/dbraw/zinc/31/96/16/567319616.db2.gz NAQQTVANTLIZCA-UHFFFAOYSA-N -1 3 385.942 3.228 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1csc(-c2ccccc2)n1 ZINC000500425724 567320833 /nfs/dbraw/zinc/32/08/33/567320833.db2.gz FDNMNBYXEAOBLJ-UHFFFAOYSA-N -1 3 378.450 3.307 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)Cn1cccn1 ZINC000500425227 567320848 /nfs/dbraw/zinc/32/08/48/567320848.db2.gz XJSPKRWRNBVUGD-LBPRGKRZSA-N -1 3 396.925 3.275 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(CC)CCSC)nc(=O)c2c1C ZINC000592199113 567322067 /nfs/dbraw/zinc/32/20/67/567322067.db2.gz DGODLKHVFHQSRG-NSHDSACASA-N -1 3 383.539 3.216 20 0 GGADHM CCOc1cc(CN2CCC3(C[C@H]3C(=O)OC)CC2)cc(Br)c1[O-] ZINC000568364736 567323392 /nfs/dbraw/zinc/32/33/92/567323392.db2.gz NVRPYHJGDLFBBP-ZDUSSCGKSA-N -1 3 398.297 3.329 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)ccc1OC ZINC000476439966 567324382 /nfs/dbraw/zinc/32/43/82/567324382.db2.gz WTPFAWKPWXIVQE-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1c(Cl)cccc1Cl ZINC000434764921 567326021 /nfs/dbraw/zinc/32/60/21/567326021.db2.gz JQUFDYYDZQQGQW-UHFFFAOYSA-N -1 3 384.178 3.189 20 0 GGADHM CCCSc1nc(=NC(=O)NC[C@H](c2cccs2)N2CCCC2)s[n-]1 ZINC000476484457 567327400 /nfs/dbraw/zinc/32/74/00/567327400.db2.gz SDRFCTPDCLOIQJ-GFCCVEGCSA-N -1 3 397.595 3.482 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)c2ccccc21 ZINC000476499225 567328702 /nfs/dbraw/zinc/32/87/02/567328702.db2.gz HSGHPPISGVVEIX-ZDUSSCGKSA-N -1 3 384.226 3.194 20 0 GGADHM CCCN(CCCN(C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000527308124 567329000 /nfs/dbraw/zinc/32/90/00/567329000.db2.gz IPAWJZLQOCSMDI-UHFFFAOYSA-N -1 3 394.313 3.095 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1ccc(Br)cc1F ZINC000476503474 567329374 /nfs/dbraw/zinc/32/93/74/567329374.db2.gz AGRSFCJBSTZKKH-UHFFFAOYSA-N -1 3 396.225 3.162 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)N1CCCC1 ZINC000527314608 567329443 /nfs/dbraw/zinc/32/94/43/567329443.db2.gz XATCXWCJNYAKJM-VIFPVBQESA-N -1 3 399.713 3.004 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476504711 567329972 /nfs/dbraw/zinc/32/99/72/567329972.db2.gz KEXBUZPXSHLGIF-BXUZGUMPSA-N -1 3 394.306 3.460 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000617739586 567332004 /nfs/dbraw/zinc/33/20/04/567332004.db2.gz MCBIOOPMSMDBAX-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM Cc1cccc(OCC[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500594712 567332221 /nfs/dbraw/zinc/33/22/21/567332221.db2.gz AEFMPHJJWXHYGD-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM CC(C)(C)OC(=O)Cn1cc(NCc2cc([O-])ccc2Br)cn1 ZINC000592368785 567333767 /nfs/dbraw/zinc/33/37/67/567333767.db2.gz VVEPHIPIXCAZCK-UHFFFAOYSA-N -1 3 382.258 3.305 20 0 GGADHM COCc1ccccc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500623593 567334439 /nfs/dbraw/zinc/33/44/39/567334439.db2.gz HVYINAMWXWLFMZ-UHFFFAOYSA-N -1 3 388.258 3.213 20 0 GGADHM CCOc1ccc(Cl)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000456045922 567334833 /nfs/dbraw/zinc/33/48/33/567334833.db2.gz LXTLYHZMJKSANA-SNVBAGLBSA-N -1 3 388.898 3.106 20 0 GGADHM C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000476573219 567335692 /nfs/dbraw/zinc/33/56/92/567335692.db2.gz IFTFUNITRACOKF-GFCCVEGCSA-N -1 3 393.322 3.131 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]Cc3cc4ccccc4s3)cnc2c1Cl ZINC000500651191 567335844 /nfs/dbraw/zinc/33/58/44/567335844.db2.gz NBIOIZKUKIPHEO-UHFFFAOYSA-N -1 3 392.893 3.384 20 0 GGADHM Cc1cccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000434955670 567335854 /nfs/dbraw/zinc/33/58/54/567335854.db2.gz RGDSHCXQTIQEHC-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CCOCC1)c1csc(=O)[n-]1 ZINC000527454554 567336837 /nfs/dbraw/zinc/33/68/37/567336837.db2.gz CLEMMUJAFRIBBC-UHFFFAOYSA-N -1 3 383.267 3.047 20 0 GGADHM O=C(c1csc(=O)[n-]1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000527461447 567337099 /nfs/dbraw/zinc/33/70/99/567337099.db2.gz LXMFZVXBANYTCI-UHFFFAOYSA-N -1 3 376.825 3.357 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3s2)s1 ZINC000568546412 567337161 /nfs/dbraw/zinc/33/71/61/567337161.db2.gz MQUQPLPBTPOUJU-VIFPVBQESA-N -1 3 381.504 3.356 20 0 GGADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](C)C(F)(F)F ZINC000476584692 567337292 /nfs/dbraw/zinc/33/72/92/567337292.db2.gz ZLXQXQHAAARSLV-LBPRGKRZSA-N -1 3 380.432 3.035 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)s1 ZINC000568546411 567337817 /nfs/dbraw/zinc/33/78/17/567337817.db2.gz MQUQPLPBTPOUJU-SECBINFHSA-N -1 3 381.504 3.356 20 0 GGADHM CC(C)CC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000617814499 567338671 /nfs/dbraw/zinc/33/86/71/567338671.db2.gz DORGUGZPOXXDEP-LLVKDONJSA-N -1 3 381.325 3.213 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000548633108 567339381 /nfs/dbraw/zinc/33/93/81/567339381.db2.gz WAGOLOMYRPICKH-UHFFFAOYSA-N -1 3 397.616 3.346 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cc(Br)ccc1F ZINC000500688211 567339428 /nfs/dbraw/zinc/33/94/28/567339428.db2.gz VJJHBYQJYPDAQC-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CN(CCCNC(=O)c1cccc(Br)c1[O-])Cc1ccccc1 ZINC000592448087 567339802 /nfs/dbraw/zinc/33/98/02/567339802.db2.gz LOPRAMYOUAMFOJ-UHFFFAOYSA-N -1 3 377.282 3.407 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)c2c1OCCC2 ZINC000527500459 567339938 /nfs/dbraw/zinc/33/99/38/567339938.db2.gz UJTUGPPCHSKYLW-AWEZNQCLSA-N -1 3 392.253 3.023 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCCc1ccc(F)c(F)c1 ZINC000476607554 567339934 /nfs/dbraw/zinc/33/99/34/567339934.db2.gz RNKLOUMTBSYATP-UHFFFAOYSA-N -1 3 389.445 3.114 20 0 GGADHM COc1ccc(-c2csc3[n-]c(CS(=O)(=O)C4CC4)nc(=O)c23)cc1 ZINC000527500791 567340021 /nfs/dbraw/zinc/34/00/21/567340021.db2.gz BFTXUQVMUANYEL-UHFFFAOYSA-N -1 3 376.459 3.150 20 0 GGADHM COc1cc(Br)c(CNCCSC[C@H](C)C(=O)[O-])cc1OC ZINC000592461827 567340680 /nfs/dbraw/zinc/34/06/80/567340680.db2.gz LZDJGQWRGHTVIG-JTQLQIEISA-N -1 3 392.315 3.010 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cc(SC)ccc1C ZINC000500715607 567340653 /nfs/dbraw/zinc/34/06/53/567340653.db2.gz HUSIPPSFLABWOF-UHFFFAOYSA-N -1 3 378.475 3.451 20 0 GGADHM C[C@@H](CSCCNCc1cnn(-c2ccc(Br)cc2)c1)C(=O)[O-] ZINC000592460953 567340763 /nfs/dbraw/zinc/34/07/63/567340763.db2.gz CHBPYPWVKACILD-LBPRGKRZSA-N -1 3 398.326 3.178 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1Oc1ccccc1 ZINC000476637166 567341135 /nfs/dbraw/zinc/34/11/35/567341135.db2.gz VQALKRULLGMELC-IOASZLSFSA-N -1 3 387.910 3.305 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CN2CCCCCC2)s1 ZINC000476630994 567341331 /nfs/dbraw/zinc/34/13/31/567341331.db2.gz JPZQSRCZVQMHAJ-LLVKDONJSA-N -1 3 395.388 3.362 20 0 GGADHM O=c1cc(CN[C@H](c2cncc(Br)c2)C2CC2)nc(C2CC2)[n-]1 ZINC000568601539 567341763 /nfs/dbraw/zinc/34/17/63/567341763.db2.gz ZNGKYQWRMPFZNR-INIZCTEOSA-N -1 3 375.270 3.458 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCSc2ccccc2Br)[n-]1 ZINC000617871754 567342794 /nfs/dbraw/zinc/34/27/94/567342794.db2.gz GBTZCHCAXGPQTJ-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCSc2ccccc2Br)c[n-]1 ZINC000617871754 567342798 /nfs/dbraw/zinc/34/27/98/567342798.db2.gz GBTZCHCAXGPQTJ-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM COc1cc(C(=O)Nc2cnc(OC)c(Br)c2C)cc(OC)c1[O-] ZINC000617894590 567343625 /nfs/dbraw/zinc/34/36/25/567343625.db2.gz KBYMECHBJXNYTM-UHFFFAOYSA-N -1 3 397.225 3.136 20 0 GGADHM CC1(C)CC(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000548701370 567343598 /nfs/dbraw/zinc/34/35/98/567343598.db2.gz NCHYNHIOSWBRCD-CYBMUJFWSA-N -1 3 387.929 3.470 20 0 GGADHM CN(Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000568641324 567344788 /nfs/dbraw/zinc/34/47/88/567344788.db2.gz JVFAMZNDSBDAIU-INIZCTEOSA-N -1 3 394.265 3.019 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)sc1Br ZINC000435188810 567346991 /nfs/dbraw/zinc/34/69/91/567346991.db2.gz ZOIUPDFFDSROFI-UHFFFAOYSA-N -1 3 376.301 3.081 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cc(F)ccc1Br ZINC000435212896 567347539 /nfs/dbraw/zinc/34/75/39/567347539.db2.gz JCHUARVNZBPSQQ-UHFFFAOYSA-N -1 3 386.242 3.097 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)N1CCCC[C@@H]1C ZINC000435207188 567348128 /nfs/dbraw/zinc/34/81/28/567348128.db2.gz KRUHIGAQGQJIGR-RYUDHWBXSA-N -1 3 393.322 3.129 20 0 GGADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1cc(F)ccc1Br ZINC000435205813 567348412 /nfs/dbraw/zinc/34/84/12/567348412.db2.gz DIKPDGOIZFXHAR-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cc(F)ccc1Br ZINC000435221330 567349393 /nfs/dbraw/zinc/34/93/93/567349393.db2.gz BCPOXFGMACHPAP-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C12CCC2 ZINC000435221914 567349603 /nfs/dbraw/zinc/34/96/03/567349603.db2.gz FALWXLGANDBYDI-KBPBESRZSA-N -1 3 392.290 3.214 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(F)ccc1Br ZINC000435219902 567349979 /nfs/dbraw/zinc/34/99/79/567349979.db2.gz JFSZKGWQMXRWBH-UHOFOFEASA-N -1 3 382.254 3.205 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)c2cc(Br)c(=O)[nH]c2C)c1-c1ccccc1 ZINC000548779632 567350661 /nfs/dbraw/zinc/35/06/61/567350661.db2.gz ATEKBKCLKYOXLI-UHFFFAOYSA-N -1 3 387.237 3.231 20 0 GGADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(F)ccc1Br ZINC000435230152 567350733 /nfs/dbraw/zinc/35/07/33/567350733.db2.gz ODXBPAFBZLLLLP-CKEIUWERSA-N -1 3 396.281 3.452 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435226104 567351245 /nfs/dbraw/zinc/35/12/45/567351245.db2.gz KPYICMBFMXPTRD-FZMZJTMJSA-N -1 3 394.306 3.462 20 0 GGADHM COC(=O)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(OC)c(Cl)c1 ZINC000500918070 567352640 /nfs/dbraw/zinc/35/26/40/567352640.db2.gz KGUDKTASUQXWMX-HNNXBMFYSA-N -1 3 384.215 3.352 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000548805752 567352856 /nfs/dbraw/zinc/35/28/56/567352856.db2.gz JAAHTKYTEOCYGT-CYBMUJFWSA-N -1 3 385.265 3.425 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000548805752 567352865 /nfs/dbraw/zinc/35/28/65/567352865.db2.gz JAAHTKYTEOCYGT-CYBMUJFWSA-N -1 3 385.265 3.425 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000548805752 567352871 /nfs/dbraw/zinc/35/28/71/567352871.db2.gz JAAHTKYTEOCYGT-CYBMUJFWSA-N -1 3 385.265 3.425 20 0 GGADHM COc1ccccc1N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000527634362 567353075 /nfs/dbraw/zinc/35/30/75/567353075.db2.gz MYRRXOVGJRDBKK-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000500925657 567353290 /nfs/dbraw/zinc/35/32/90/567353290.db2.gz SSNANIOMJMWUCH-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C3(c4ccc(Cl)cc4)CC3)cnc2c1Cl ZINC000500970574 567355791 /nfs/dbraw/zinc/35/57/91/567355791.db2.gz YTNGYIHOGRRCGS-UHFFFAOYSA-N -1 3 397.287 3.312 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c3ccccc3)cnc2c1Cl ZINC000500955823 567355971 /nfs/dbraw/zinc/35/59/71/567355971.db2.gz SXGIAEHQXGILCA-RYUDHWBXSA-N -1 3 378.885 3.162 20 0 GGADHM COc1cc2c(cc1OC)CN(C(=O)c1cc([O-])cc(Br)c1)CC2 ZINC000527663415 567358290 /nfs/dbraw/zinc/35/82/90/567358290.db2.gz ZTYFMAFGAVVKLB-UHFFFAOYSA-N -1 3 392.249 3.370 20 0 GGADHM COc1cccc(N2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)c1 ZINC000527670326 567358680 /nfs/dbraw/zinc/35/86/80/567358680.db2.gz PIHSNMGYFCWXBC-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3cccc(Cl)c3F)C2)c1 ZINC000476931811 567359060 /nfs/dbraw/zinc/35/90/60/567359060.db2.gz JOTQCBOAOISORR-LBPRGKRZSA-N -1 3 384.860 3.045 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c(C)o1 ZINC000501040971 567359920 /nfs/dbraw/zinc/35/99/20/567359920.db2.gz MZZBQVPXVAHUPV-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](CO)CC(C)(C)C ZINC000568844301 567360673 /nfs/dbraw/zinc/36/06/73/567360673.db2.gz NTFMAHVKXMDUPV-GFCCVEGCSA-N -1 3 395.297 3.160 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)cn1C ZINC000568844182 567360738 /nfs/dbraw/zinc/36/07/38/567360738.db2.gz YPCSNHRGUMJUAM-UHFFFAOYSA-N -1 3 379.448 3.477 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1O ZINC000435421068 567361392 /nfs/dbraw/zinc/36/13/92/567361392.db2.gz HGABJXPVVZSFIN-UHFFFAOYSA-N -1 3 380.224 3.325 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000527684807 567361361 /nfs/dbraw/zinc/36/13/61/567361361.db2.gz PGAMQYLGBNZKHJ-UHFFFAOYSA-N -1 3 395.297 3.019 20 0 GGADHM CCOc1cccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640291324 567361578 /nfs/dbraw/zinc/36/15/78/567361578.db2.gz AHPUXZQICGBAOY-UHFFFAOYSA-N -1 3 376.766 3.241 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)cc1)c1cncc(Cl)c1 ZINC000435420877 567361576 /nfs/dbraw/zinc/36/15/76/567361576.db2.gz GGMPMUMEGOXOIV-UONOGXRCSA-N -1 3 387.686 3.332 20 0 GGADHM CN(C)[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccs1 ZINC000640290591 567361776 /nfs/dbraw/zinc/36/17/76/567361776.db2.gz PUXOETQRMSUQAB-SNVBAGLBSA-N -1 3 395.838 3.007 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCOC1CCCCCC1 ZINC000640291275 567361795 /nfs/dbraw/zinc/36/17/95/567361795.db2.gz ACNCHGUYRMDDAA-UHFFFAOYSA-N -1 3 382.814 3.382 20 0 GGADHM CN(CCOc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291451 567361873 /nfs/dbraw/zinc/36/18/73/567361873.db2.gz YKVWFSZBNCHDDZ-UHFFFAOYSA-N -1 3 376.766 3.063 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CSc2ccccc21 ZINC000640292577 567362292 /nfs/dbraw/zinc/36/22/92/567362292.db2.gz MBZAFHFNQCSYBO-SNVBAGLBSA-N -1 3 376.791 3.489 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCc1ccc(F)cc1F ZINC000640292275 567362321 /nfs/dbraw/zinc/36/23/21/567362321.db2.gz JHZDLONEODNIAX-UHFFFAOYSA-N -1 3 382.720 3.163 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)on1 ZINC000640292445 567362388 /nfs/dbraw/zinc/36/23/88/567362388.db2.gz KZYPSGPIDHMUHM-SNVBAGLBSA-N -1 3 377.754 3.186 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCc2cc(F)ccc21 ZINC000640292053 567362580 /nfs/dbraw/zinc/36/25/80/567362580.db2.gz HLQJALDOOWNKPT-GFCCVEGCSA-N -1 3 376.741 3.469 20 0 GGADHM CN(Cc1ccc(F)cc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292401 567362614 /nfs/dbraw/zinc/36/26/14/567362614.db2.gz KSIDTMJQSRFYCM-UHFFFAOYSA-N -1 3 382.720 3.463 20 0 GGADHM Cn1cccc1[C@H]1CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291881 567362631 /nfs/dbraw/zinc/36/26/31/567362631.db2.gz FBXKBLQOIMVXGV-GFCCVEGCSA-N -1 3 375.782 3.228 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCc2ccc(F)cc21 ZINC000640292464 567362727 /nfs/dbraw/zinc/36/27/27/567362727.db2.gz KKUXIVUBLVMPAV-GFCCVEGCSA-N -1 3 376.741 3.469 20 0 GGADHM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000476980757 567363003 /nfs/dbraw/zinc/36/30/03/567363003.db2.gz NWLFUIKPPIXXKF-UHFFFAOYSA-N -1 3 383.311 3.452 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1(c2ccccc2F)CC1 ZINC000640292546 567363140 /nfs/dbraw/zinc/36/31/40/567363140.db2.gz LIRVHFKDSIVLEO-UHFFFAOYSA-N -1 3 376.741 3.471 20 0 GGADHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000568883674 567363254 /nfs/dbraw/zinc/36/32/54/567363254.db2.gz QETPTMOFQHIXEF-WDEREUQCSA-N -1 3 388.308 3.354 20 0 GGADHM C[C@@H](Cc1ccccc1F)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292495 567363360 /nfs/dbraw/zinc/36/33/60/567363360.db2.gz LXWZPJSEUSUFEW-VIFPVBQESA-N -1 3 378.757 3.413 20 0 GGADHM COCC1(Cc2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CC1 ZINC000568882029 567363574 /nfs/dbraw/zinc/36/35/74/567363574.db2.gz PIRSDQNJEGUTAR-UHFFFAOYSA-N -1 3 390.241 3.253 20 0 GGADHM COCC1(Cc2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CC1 ZINC000568882029 567363576 /nfs/dbraw/zinc/36/35/76/567363576.db2.gz PIRSDQNJEGUTAR-UHFFFAOYSA-N -1 3 390.241 3.253 20 0 GGADHM COCC1(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000568882029 567363579 /nfs/dbraw/zinc/36/35/79/567363579.db2.gz PIRSDQNJEGUTAR-UHFFFAOYSA-N -1 3 390.241 3.253 20 0 GGADHM CC(C)[C@@H]1C[C@H]1CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000456325867 567363788 /nfs/dbraw/zinc/36/37/88/567363788.db2.gz ICAQNFDSSZJPJD-RYUDHWBXSA-N -1 3 393.336 3.070 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640295901 567363940 /nfs/dbraw/zinc/36/39/40/567363940.db2.gz GUWCMWCNWJZBBK-WDEREUQCSA-N -1 3 382.814 3.236 20 0 GGADHM CO[C@H](C)c1nc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000640295062 567364086 /nfs/dbraw/zinc/36/40/86/567364086.db2.gz PLTMSFRHLWHSQX-SSDOTTSWSA-N -1 3 397.810 3.006 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000435433892 567364280 /nfs/dbraw/zinc/36/42/80/567364280.db2.gz VBPHFEMWYMEZNK-CABCVRRESA-N -1 3 383.828 3.100 20 0 GGADHM CCSc1cc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)ccn1 ZINC000640295769 567364378 /nfs/dbraw/zinc/36/43/78/567364378.db2.gz DDUZHGHUAYZKFU-UHFFFAOYSA-N -1 3 393.822 3.349 20 0 GGADHM CO[C@@H](C)c1nc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000640295069 567364737 /nfs/dbraw/zinc/36/47/37/567364737.db2.gz PLTMSFRHLWHSQX-ZETCQYMHSA-N -1 3 397.810 3.006 20 0 GGADHM Cc1cnc([C@H](C)CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000640296085 567364790 /nfs/dbraw/zinc/36/47/90/567364790.db2.gz JZFVAVXQMQBRGK-SSDOTTSWSA-N -1 3 381.811 3.211 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000640295086 567365054 /nfs/dbraw/zinc/36/50/54/567365054.db2.gz PPRRPMKYLAIPBG-UHFFFAOYSA-N -1 3 379.770 3.128 20 0 GGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000435434602 567365943 /nfs/dbraw/zinc/36/59/43/567365943.db2.gz YQXCPSOUKZJTOO-LBPRGKRZSA-N -1 3 395.750 3.254 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(Cl)s1 ZINC000592823339 567365968 /nfs/dbraw/zinc/36/59/68/567365968.db2.gz DDIWDFMRYJBKJF-SNVBAGLBSA-N -1 3 378.853 3.237 20 0 GGADHM NC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435435051 567366125 /nfs/dbraw/zinc/36/61/25/567366125.db2.gz WEAJGXYRENQRKF-UHFFFAOYSA-N -1 3 392.239 3.102 20 0 GGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303105 567366191 /nfs/dbraw/zinc/36/61/91/567366191.db2.gz WVKQUVBFCCVMTI-RQJHMYQMSA-N -1 3 378.704 3.325 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccc(Cl)c1F ZINC000592824889 567366334 /nfs/dbraw/zinc/36/63/34/567366334.db2.gz SAIFVIKDLAGUAA-LLVKDONJSA-N -1 3 390.814 3.315 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@H]2CCc2ccccc2)[n-]1 ZINC000640308079 567366478 /nfs/dbraw/zinc/36/64/78/567366478.db2.gz DBSDQIBZQYGKRM-AWEZNQCLSA-N -1 3 377.286 3.234 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640308314 567366563 /nfs/dbraw/zinc/36/65/63/567366563.db2.gz ODDPWNPXUQPZKU-UHFFFAOYSA-N -1 3 377.695 3.373 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000568927974 567366589 /nfs/dbraw/zinc/36/65/89/567366589.db2.gz PYZPRYGHQKWUEV-CYBMUJFWSA-N -1 3 393.933 3.095 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(Cl)cc1F ZINC000592823405 567366659 /nfs/dbraw/zinc/36/66/59/567366659.db2.gz KUSXSGXVMDKNCO-LBPRGKRZSA-N -1 3 390.814 3.315 20 0 GGADHM C[C@@H](NC(=O)N=c1[n-]n(C)cc1Br)c1ccccc1OC(F)F ZINC000640308618 567366682 /nfs/dbraw/zinc/36/66/82/567366682.db2.gz QKWYPIUZAFQSGR-MRVPVSSYSA-N -1 3 389.200 3.089 20 0 GGADHM C[C@H](NC(=O)N=c1[n-]n(C)cc1Br)c1ccc(OC(F)F)cc1 ZINC000640307176 567366729 /nfs/dbraw/zinc/36/67/29/567366729.db2.gz AONBQOPAHYIXHR-QMMMGPOBSA-N -1 3 389.200 3.089 20 0 GGADHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303098 567366764 /nfs/dbraw/zinc/36/67/64/567366764.db2.gz WVKQUVBFCCVMTI-BQBZGAKWSA-N -1 3 378.704 3.325 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3C[C@H]3c3cccc(Cl)c3)cnc2c1Cl ZINC000435434049 567366773 /nfs/dbraw/zinc/36/67/73/567366773.db2.gz VZDCWWPTGPLAOD-UONOGXRCSA-N -1 3 397.287 3.179 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000640301863 567366956 /nfs/dbraw/zinc/36/69/56/567366956.db2.gz LBEZNSIIOMMYLE-CMPLNLGQSA-N -1 3 376.741 3.337 20 0 GGADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640312030 567367511 /nfs/dbraw/zinc/36/75/11/567367511.db2.gz JDAGOBYETSDYJS-IAQYHMDHSA-N -1 3 393.285 3.228 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309524 567367854 /nfs/dbraw/zinc/36/78/54/567367854.db2.gz JWOFQRYCCBXBSZ-CHWSQXEVSA-N -1 3 377.286 3.323 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)[n-]1 ZINC000640309611 567367903 /nfs/dbraw/zinc/36/79/03/567367903.db2.gz OUWNLSKYLABVTD-UHFFFAOYSA-N -1 3 383.677 3.454 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)[n-]1 ZINC000640310807 567367932 /nfs/dbraw/zinc/36/79/32/567367932.db2.gz DBMCFYWWPNJRPS-BDAKNGLRSA-N -1 3 383.212 3.095 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(C)(c3ccccc3)CC2)[n-]1 ZINC000640310780 567367993 /nfs/dbraw/zinc/36/79/93/567367993.db2.gz CSOFEZHMHSNELD-UHFFFAOYSA-N -1 3 377.286 3.190 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)c(C)o1 ZINC000435437685 567368101 /nfs/dbraw/zinc/36/81/01/567368101.db2.gz LBWQRUFWLXKWJH-BXKDBHETSA-N -1 3 387.816 3.002 20 0 GGADHM COc1cccc([C@H]2C[C@H](C)CN2C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640312032 567368313 /nfs/dbraw/zinc/36/83/13/567368313.db2.gz JDAGOBYETSDYJS-XHDPSFHLSA-N -1 3 393.285 3.228 20 0 GGADHM COc1cccc([C@H](CNC(=O)c2cc([O-])cc(Br)c2)N(C)C)c1 ZINC000527719988 567368319 /nfs/dbraw/zinc/36/83/19/567368319.db2.gz MLNPVXYMUKYTOA-KRWDZBQOSA-N -1 3 393.281 3.196 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000435442254 567368391 /nfs/dbraw/zinc/36/83/91/567368391.db2.gz KFAIGQPOWJFOHW-QWHCGFSZSA-N -1 3 385.894 3.331 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640310554 567368466 /nfs/dbraw/zinc/36/84/66/567368466.db2.gz QSRMRRLUVMHEDQ-JSGCOSHPSA-N -1 3 377.286 3.090 20 0 GGADHM COCCCCN(Cc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640309603 567368495 /nfs/dbraw/zinc/36/84/95/567368495.db2.gz OUTUNXFSHPGLBM-UHFFFAOYSA-N -1 3 395.301 3.065 20 0 GGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309661 567368542 /nfs/dbraw/zinc/36/85/42/567368542.db2.gz KPMLNGTVFIPLOQ-IINYFYTJSA-N -1 3 381.249 3.359 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)N=c3[n-]n(C)cc3Br)C2)cc1 ZINC000640313970 567369453 /nfs/dbraw/zinc/36/94/53/567369453.db2.gz XSWMRLOYIPANAX-OCCSQVGLSA-N -1 3 377.286 3.323 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1cccc(F)c1F ZINC000501155520 567369366 /nfs/dbraw/zinc/36/93/66/567369366.db2.gz OSHHZYCFVTYTKM-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000435444552 567369634 /nfs/dbraw/zinc/36/96/34/567369634.db2.gz ACIGIUNITULZDH-LSDHHAIUSA-N -1 3 397.294 3.077 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@]2(C)Cc2ccccc2)[n-]1 ZINC000640313602 567369862 /nfs/dbraw/zinc/36/98/62/567369862.db2.gz YQTZAGFAIYEUQU-KRWDZBQOSA-N -1 3 377.286 3.234 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000501157372 567369835 /nfs/dbraw/zinc/36/98/35/567369835.db2.gz XOMCBZXNBYCKEI-CQSZACIVSA-N -1 3 378.252 3.014 20 0 GGADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc([O-])cc(Br)c1 ZINC000527731775 567369960 /nfs/dbraw/zinc/36/99/60/567369960.db2.gz WOZCJXOQMQNPIP-INIZCTEOSA-N -1 3 375.266 3.159 20 0 GGADHM C[C@@H]1CCCC[C@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000549050945 567370975 /nfs/dbraw/zinc/37/09/75/567370975.db2.gz DTIHSXZYIDBACE-OLZOCXBDSA-N -1 3 390.908 3.090 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)c1Cl ZINC000501182932 567371290 /nfs/dbraw/zinc/37/12/90/567371290.db2.gz ANJLHUSBZOMSTI-CYBMUJFWSA-N -1 3 392.279 3.323 20 0 GGADHM COc1ccc(C2(C(=O)N=c3[nH][n-]cc3Br)CCCC2)cc1OC ZINC000640319686 567371480 /nfs/dbraw/zinc/37/14/80/567371480.db2.gz VLPLACSBUUDJLC-UHFFFAOYSA-N -1 3 394.269 3.062 20 0 GGADHM CCN(C(=O)N=c1[n-]n(C)cc1Br)[C@H](C)Cc1ccc(OC)cc1 ZINC000640324216 567371784 /nfs/dbraw/zinc/37/17/84/567371784.db2.gz CJAHRCVHIACUGL-GFCCVEGCSA-N -1 3 395.301 3.098 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(Cc2ccccc2)n1 ZINC000477122243 567372631 /nfs/dbraw/zinc/37/26/31/567372631.db2.gz OXHUEHHXAXXJFN-UHFFFAOYSA-N -1 3 386.249 3.330 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H](O)Cc1ccccc1Cl ZINC000477122999 567373104 /nfs/dbraw/zinc/37/31/04/567373104.db2.gz QKALBWNSCSFJLN-OAHLLOKOSA-N -1 3 384.657 3.028 20 0 GGADHM O=C([N-]c1ccncc1I)c1cc(-c2ccccc2)no1 ZINC000501264691 567374815 /nfs/dbraw/zinc/37/48/15/567374815.db2.gz CTQCXCXDEOJDME-UHFFFAOYSA-N -1 3 391.168 3.015 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cccc3ccsc32)s1 ZINC000501274780 567376705 /nfs/dbraw/zinc/37/67/05/567376705.db2.gz UWAACTOEDIQJLQ-UHFFFAOYSA-N -1 3 381.504 3.193 20 0 GGADHM CCSCc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000456469758 567377047 /nfs/dbraw/zinc/37/70/47/567377047.db2.gz IODAUUJGMLAGBJ-LBPRGKRZSA-N -1 3 384.548 3.307 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC000477175420 567377808 /nfs/dbraw/zinc/37/78/08/567377808.db2.gz GPRAKOVNEOJHEB-MRVPVSSYSA-N -1 3 384.281 3.011 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435596935 567378758 /nfs/dbraw/zinc/37/87/58/567378758.db2.gz HBRAVBVAEOQJIM-MQMHXKEQSA-N -1 3 383.466 3.207 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)sc1C ZINC000477189117 567379116 /nfs/dbraw/zinc/37/91/16/567379116.db2.gz QWPVQVZKBOPMKV-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435607880 567379628 /nfs/dbraw/zinc/37/96/28/567379628.db2.gz RGKJOGUPIVSMAZ-HAQNSBGRSA-N -1 3 383.466 3.207 20 0 GGADHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000435644640 567381045 /nfs/dbraw/zinc/38/10/45/567381045.db2.gz CUSVABQMQZQXHK-YPMHNXCESA-N -1 3 385.869 3.405 20 0 GGADHM COc1cccc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)c1[O-] ZINC000618362520 567381197 /nfs/dbraw/zinc/38/11/97/567381197.db2.gz HWDIKYCBNMTHTA-OAHLLOKOSA-N -1 3 392.249 3.377 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000618362744 567381429 /nfs/dbraw/zinc/38/14/29/567381429.db2.gz MCTSENKCAPVVBV-INIZCTEOSA-N -1 3 394.240 3.436 20 0 GGADHM C[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)N1CCc2sccc2C1 ZINC000527890437 567381642 /nfs/dbraw/zinc/38/16/42/567381642.db2.gz ICKGVRIBTUNGAH-NSHDSACASA-N -1 3 395.322 3.393 20 0 GGADHM O=c1[n-]nc(SCc2cscc2Br)n1C[C@@H]1CCCO1 ZINC000569141392 567382260 /nfs/dbraw/zinc/38/22/60/567382260.db2.gz YWCUZRXFOPMDNE-VIFPVBQESA-N -1 3 376.301 3.279 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]Cc1sccc1C ZINC000569145326 567382302 /nfs/dbraw/zinc/38/23/02/567382302.db2.gz BAPOQAVQBMRQLQ-UHFFFAOYSA-N -1 3 388.898 3.155 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-]Cc1noc2ccccc21 ZINC000569146524 567382430 /nfs/dbraw/zinc/38/24/30/567382430.db2.gz JIWDGFKMQRUQFP-UHFFFAOYSA-N -1 3 381.251 3.210 20 0 GGADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(Br)s2)C[C@@H](C)O1 ZINC000549254707 567382678 /nfs/dbraw/zinc/38/26/78/567382678.db2.gz GULMCLLTHQENAW-NXEZZACHSA-N -1 3 382.345 3.383 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(C)sn2)c(C(=O)OCC)c1C ZINC000435665458 567382874 /nfs/dbraw/zinc/38/28/74/567382874.db2.gz QAYSZFHAJJVDIM-UHFFFAOYSA-N -1 3 382.463 3.427 20 0 GGADHM Cc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000501382451 567384406 /nfs/dbraw/zinc/38/44/06/567384406.db2.gz NYWMFJKCWYEHMC-GHMZBOCLSA-N -1 3 384.242 3.196 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CCC(F)(F)C1 ZINC000435710538 567384506 /nfs/dbraw/zinc/38/45/06/567384506.db2.gz VJSCTMQDYXELCC-MRVPVSSYSA-N -1 3 396.818 3.294 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1ncccn1 ZINC000569189618 567384805 /nfs/dbraw/zinc/38/48/05/567384805.db2.gz VTGDXSYWHGKFGC-UHFFFAOYSA-N -1 3 379.791 3.362 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000549325677 567385564 /nfs/dbraw/zinc/38/55/64/567385564.db2.gz HXPHKKZSCPDPKF-CYBMUJFWSA-N -1 3 379.379 3.254 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000501413834 567386948 /nfs/dbraw/zinc/38/69/48/567386948.db2.gz QXGMBOXJNATJEQ-INIZCTEOSA-N -1 3 386.926 3.039 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)CC)c1 ZINC000501413116 567387338 /nfs/dbraw/zinc/38/73/38/567387338.db2.gz BRSIZYYJPJOQMF-NWDGAFQWSA-N -1 3 375.462 3.114 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)s1 ZINC000618448984 567388867 /nfs/dbraw/zinc/38/88/67/567388867.db2.gz BCXANDOSRCFCAG-IRZRGYTLSA-N -1 3 382.551 3.192 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(F)c(Br)c1 ZINC000501446065 567389475 /nfs/dbraw/zinc/38/94/75/567389475.db2.gz ALTUAUVPRCNQLG-GHMZBOCLSA-N -1 3 388.205 3.027 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)s1 ZINC000618458191 567389478 /nfs/dbraw/zinc/38/94/78/567389478.db2.gz QAQAPWJCWXAHMM-XIKOKIGWSA-N -1 3 378.519 3.375 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)s1 ZINC000618450344 567389534 /nfs/dbraw/zinc/38/95/34/567389534.db2.gz CQLPNULLIBHLAN-CYBMUJFWSA-N -1 3 398.575 3.324 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)s1 ZINC000618451663 567389653 /nfs/dbraw/zinc/38/96/53/567389653.db2.gz YXROTKXSQNWNFY-RISCZKNCSA-N -1 3 396.559 3.461 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)c1ccccc1 ZINC000618450405 567390047 /nfs/dbraw/zinc/39/00/47/567390047.db2.gz DKGOQZXODHRAHB-DZGCQCFKSA-N -1 3 380.535 3.417 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)s1 ZINC000618450848 567390289 /nfs/dbraw/zinc/39/02/89/567390289.db2.gz FSUJHMATZFIUET-JTQLQIEISA-N -1 3 395.531 3.033 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)s1 ZINC000618452351 567390303 /nfs/dbraw/zinc/39/03/03/567390303.db2.gz WDXHMGLHIUGMEF-VHSXEESVSA-N -1 3 388.461 3.263 20 0 GGADHM O=c1ccccn1C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000501438351 567390565 /nfs/dbraw/zinc/39/05/65/567390565.db2.gz SWSRZSMWWWKCTC-AWEZNQCLSA-N -1 3 394.905 3.283 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)s1 ZINC000618459319 567391336 /nfs/dbraw/zinc/39/13/36/567391336.db2.gz JNYCKGCNHPQZSG-NSHDSACASA-N -1 3 378.475 3.170 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(Br)c(F)c1 ZINC000501469460 567391462 /nfs/dbraw/zinc/39/14/62/567391462.db2.gz FDLZLSLVJAMLBW-GHMZBOCLSA-N -1 3 388.205 3.027 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(F)cc1Br ZINC000501471408 567391734 /nfs/dbraw/zinc/39/17/34/567391734.db2.gz KMSXATLBIVOSRK-NXEZZACHSA-N -1 3 388.205 3.027 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)s1 ZINC000618459200 567391673 /nfs/dbraw/zinc/39/16/73/567391673.db2.gz HVNBERNBNKIOTF-VIFPVBQESA-N -1 3 392.955 3.181 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2c(C)cccc2F)c(Cl)c1OC ZINC000549464960 567392040 /nfs/dbraw/zinc/39/20/40/567392040.db2.gz IEJUTSNWNLBROL-UHFFFAOYSA-N -1 3 387.860 3.326 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2sc(C)cc2Br)CCC1 ZINC000549464453 567392188 /nfs/dbraw/zinc/39/21/88/567392188.db2.gz BYCBWABNWKFACJ-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cccc(Cl)c2F)s1 ZINC000477457841 567395015 /nfs/dbraw/zinc/39/50/15/567395015.db2.gz VPRWRTREEONWLL-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CC12CCCC2 ZINC000477463199 567396099 /nfs/dbraw/zinc/39/60/99/567396099.db2.gz VKRJMLVFHDGKTK-LLVKDONJSA-N -1 3 386.876 3.439 20 0 GGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000477463245 567396395 /nfs/dbraw/zinc/39/63/95/567396395.db2.gz HGSFOBDYCLSXJE-APPDUMDISA-N -1 3 398.937 3.120 20 0 GGADHM Cc1nccnc1CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000549531737 567396963 /nfs/dbraw/zinc/39/69/63/567396963.db2.gz SCMMWXLJHLAUDG-UHFFFAOYSA-N -1 3 394.909 3.083 20 0 GGADHM O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000435926382 567397157 /nfs/dbraw/zinc/39/71/57/567397157.db2.gz IYVQFKSADGTRMY-OAHLLOKOSA-N -1 3 380.828 3.339 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(Br)c1)c1ccccc1 ZINC000477499935 567398856 /nfs/dbraw/zinc/39/88/56/567398856.db2.gz OPROPDKYELEJCD-OAHLLOKOSA-N -1 3 398.278 3.148 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(Br)c1)c1ccccc1 ZINC000477499934 567398864 /nfs/dbraw/zinc/39/88/64/567398864.db2.gz OPROPDKYELEJCD-HNNXBMFYSA-N -1 3 398.278 3.148 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccccc1Br)c1ccccc1 ZINC000477502257 567399059 /nfs/dbraw/zinc/39/90/59/567399059.db2.gz VLMXDGRDMQHLLI-CYBMUJFWSA-N -1 3 398.278 3.148 20 0 GGADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528181691 567399952 /nfs/dbraw/zinc/39/99/52/567399952.db2.gz ARKVJNSQQDESTQ-QWHCGFSZSA-N -1 3 397.313 3.312 20 0 GGADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528181690 567399963 /nfs/dbraw/zinc/39/99/63/567399963.db2.gz ARKVJNSQQDESTQ-OLZOCXBDSA-N -1 3 397.313 3.312 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1ncn(-c2ccccc2)n1 ZINC000549602407 567400698 /nfs/dbraw/zinc/40/06/98/567400698.db2.gz GSLIEZBUBOPQFO-UHFFFAOYSA-N -1 3 397.287 3.194 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000501680023 567401922 /nfs/dbraw/zinc/40/19/22/567401922.db2.gz MRXSIGLGZPXYTN-ZDUSSCGKSA-N -1 3 382.185 3.166 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000501680010 567402107 /nfs/dbraw/zinc/40/21/07/567402107.db2.gz MRXSIGLGZPXYTN-CYBMUJFWSA-N -1 3 382.185 3.166 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCO[C@@H](C)C2)c1-c1ccc(Br)cc1 ZINC000640943251 567402855 /nfs/dbraw/zinc/40/28/55/567402855.db2.gz VMOGZFPAPZAHLH-GXFFZTMASA-N -1 3 378.270 3.323 20 0 GGADHM COC[C@@H](C)[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1 ZINC000640943191 567403326 /nfs/dbraw/zinc/40/33/26/567403326.db2.gz JSPCLABYLUJIFI-MNOVXSKESA-N -1 3 380.286 3.427 20 0 GGADHM CC(C)c1nc([C@H]2COCCN2Cc2cc([O-])ccc2Br)no1 ZINC000501751118 567404320 /nfs/dbraw/zinc/40/43/20/567404320.db2.gz KJTGBHKURFQMKS-CQSZACIVSA-N -1 3 382.258 3.235 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)OCC2CC2)c1-c1ccc(Br)cc1 ZINC000640945197 567404336 /nfs/dbraw/zinc/40/43/36/567404336.db2.gz SAIYQSNLPBLLGY-LLVKDONJSA-N -1 3 378.270 3.323 20 0 GGADHM COC(=O)Cc1occc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000549715146 567405548 /nfs/dbraw/zinc/40/55/48/567405548.db2.gz SSKWPBBNPNZVBY-UHFFFAOYSA-N -1 3 377.809 3.419 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC(F)(F)F ZINC000569454889 567405641 /nfs/dbraw/zinc/40/56/41/567405641.db2.gz FQKMZDQCFIYLAH-QMMMGPOBSA-N -1 3 384.807 3.092 20 0 GGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl ZINC000549720441 567405844 /nfs/dbraw/zinc/40/58/44/567405844.db2.gz LZEMKXUCWACPOG-UHFFFAOYSA-N -1 3 377.224 3.341 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2ccc(C(C)=O)o2)c(Br)cc1F ZINC000618670824 567406892 /nfs/dbraw/zinc/40/68/92/567406892.db2.gz KNFGKBJRVRZQSV-UHFFFAOYSA-N -1 3 384.157 3.423 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@@H](Cc1ccc(Cl)cc1F)C(C)=O ZINC000436127180 567407554 /nfs/dbraw/zinc/40/75/54/567407554.db2.gz FOYIHGIUSJNODV-AWEZNQCLSA-N -1 3 387.864 3.105 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@@H](Cc1cccc(Cl)c1F)C(C)=O ZINC000436132073 567407724 /nfs/dbraw/zinc/40/77/24/567407724.db2.gz MKTVXHBXPJCOJX-ZDUSSCGKSA-N -1 3 387.864 3.105 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)CCCCCC1 ZINC000549730786 567407814 /nfs/dbraw/zinc/40/78/14/567407814.db2.gz PBPNNWPHEYLESA-UHFFFAOYSA-N -1 3 375.437 3.310 20 0 GGADHM CC(C)c1c(C(=O)N=c2[nH][n-]cc2Br)cnn1-c1ccc(F)cc1 ZINC000569492021 567408192 /nfs/dbraw/zinc/40/81/92/567408192.db2.gz HOJKDBNDVKKEBT-UHFFFAOYSA-N -1 3 392.232 3.295 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCCC(=O)OC(C)(C)C ZINC000618699269 567408250 /nfs/dbraw/zinc/40/82/50/567408250.db2.gz QHNWNMHDNURVJF-UHFFFAOYSA-N -1 3 377.890 3.139 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)ccc1[O-] ZINC000456720767 567409666 /nfs/dbraw/zinc/40/96/66/567409666.db2.gz OBAHBYHTHFLONQ-CYBMUJFWSA-N -1 3 396.256 3.183 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528317127 567409862 /nfs/dbraw/zinc/40/98/62/567409862.db2.gz PCAGMJSSYRTGLM-OLZOCXBDSA-N -1 3 397.313 3.312 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(c2ncccc2Cl)CC1 ZINC000528306388 567410082 /nfs/dbraw/zinc/41/00/82/567410082.db2.gz GHEPIMQNWPEVDU-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cc(F)ccc1F ZINC000549774592 567410363 /nfs/dbraw/zinc/41/03/63/567410363.db2.gz XETOXEOOHLTXQJ-NSHDSACASA-N -1 3 383.342 3.147 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC000549784407 567410402 /nfs/dbraw/zinc/41/04/02/567410402.db2.gz YGXGQZMYWMAFDC-UHFFFAOYSA-N -1 3 375.466 3.393 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2cccc(Br)c2F)CCC1 ZINC000549864764 567414735 /nfs/dbraw/zinc/41/47/35/567414735.db2.gz JHXDKEWAIUCMEN-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM O=C(NCCc1nc2c(s1)CCCC2)c1cc([O-])cc(Br)c1 ZINC000528364602 567414921 /nfs/dbraw/zinc/41/49/21/567414921.db2.gz MZTOUXTXHPGSOR-UHFFFAOYSA-N -1 3 381.295 3.463 20 0 GGADHM O=C(NC[C@@H]1CC12CC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000569575396 567415658 /nfs/dbraw/zinc/41/56/58/567415658.db2.gz WLBKVYQQVSQMIR-QMMMGPOBSA-N -1 3 381.657 3.474 20 0 GGADHM O=C(NC[C@@H]1CC12CC2)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000569575396 567415665 /nfs/dbraw/zinc/41/56/65/567415665.db2.gz WLBKVYQQVSQMIR-QMMMGPOBSA-N -1 3 381.657 3.474 20 0 GGADHM CCc1sc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000502089814 567419107 /nfs/dbraw/zinc/41/91/07/567419107.db2.gz ILKJCYPFOAYESL-UHFFFAOYSA-N -1 3 392.955 3.042 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2cccc(Cl)c2)c(C)o1 ZINC000456800751 567419981 /nfs/dbraw/zinc/41/99/81/567419981.db2.gz NWMOZQOQGMKYTL-UHFFFAOYSA-N -1 3 384.885 3.452 20 0 GGADHM CSc1cccc([C@@H]([N-]S(=O)(=O)C2COC2)c2cc(F)ccc2F)c1 ZINC000569647989 567419990 /nfs/dbraw/zinc/41/99/90/567419990.db2.gz UZKSPUCTPLZHGK-QGZVFWFLSA-N -1 3 385.457 3.094 20 0 GGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C)c1nccs1 ZINC000528412925 567420319 /nfs/dbraw/zinc/42/03/19/567420319.db2.gz GTWCNDOGTUVQCE-QMMMGPOBSA-N -1 3 382.385 3.090 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000549986699 567422182 /nfs/dbraw/zinc/42/21/82/567422182.db2.gz DMOIPRQDFSITTF-QLFBSQMISA-N -1 3 391.892 3.457 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)c1 ZINC000502202665 567422398 /nfs/dbraw/zinc/42/23/98/567422398.db2.gz ADYAXCQPYYTQCK-UHFFFAOYSA-N -1 3 389.495 3.135 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000502189107 567422685 /nfs/dbraw/zinc/42/26/85/567422685.db2.gz WMGLCNPTHMIMEI-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)c1 ZINC000502194444 567422747 /nfs/dbraw/zinc/42/27/47/567422747.db2.gz JDUPNMXPZSFFKQ-UHFFFAOYSA-N -1 3 379.503 3.325 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1Cl ZINC000502198287 567422806 /nfs/dbraw/zinc/42/28/06/567422806.db2.gz UBWPKALFDXUYOO-UHFFFAOYSA-N -1 3 383.857 3.146 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000502192370 567423212 /nfs/dbraw/zinc/42/32/12/567423212.db2.gz DAMMSPSSPWRUHD-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)[n-]1 ZINC000618919878 567423336 /nfs/dbraw/zinc/42/33/36/567423336.db2.gz YLHNXIQIYKZAHJ-SNVBAGLBSA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)c[n-]1 ZINC000618919878 567423340 /nfs/dbraw/zinc/42/33/40/567423340.db2.gz YLHNXIQIYKZAHJ-SNVBAGLBSA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc(Br)cc(OC(C)C)c2)[n-]1 ZINC000618919394 567423674 /nfs/dbraw/zinc/42/36/74/567423674.db2.gz BYRGOHJLABUGJW-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2cc(Br)cc(OC(C)C)c2)c[n-]1 ZINC000618919394 567423679 /nfs/dbraw/zinc/42/36/79/567423679.db2.gz BYRGOHJLABUGJW-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC)c2nc(C)cs2)c(F)c1 ZINC000593545617 567423866 /nfs/dbraw/zinc/42/38/66/567423866.db2.gz WJKABBJTCJWHTH-ZDUSSCGKSA-N -1 3 386.470 3.197 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2c(C)cccc2F)N(C)C)cc1 ZINC000550013381 567424622 /nfs/dbraw/zinc/42/46/22/567424622.db2.gz CQCVYYISXMSBTG-QGZVFWFLSA-N -1 3 382.526 3.437 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)c(F)c1 ZINC000593567769 567425678 /nfs/dbraw/zinc/42/56/78/567425678.db2.gz UJKVRMSWSBWGHY-UHFFFAOYSA-N -1 3 386.470 3.061 20 0 GGADHM C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000502261982 567426326 /nfs/dbraw/zinc/42/63/26/567426326.db2.gz YAXZKFVWBQDOKS-SECBINFHSA-N -1 3 388.276 3.251 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000502284930 567426800 /nfs/dbraw/zinc/42/68/00/567426800.db2.gz ZKOWTMAAGWBFDA-MRXNPFEDSA-N -1 3 381.885 3.234 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)CC1 ZINC000436478314 567426960 /nfs/dbraw/zinc/42/69/60/567426960.db2.gz LYPXKCPOBLAAAY-UHFFFAOYSA-N -1 3 380.491 3.346 20 0 GGADHM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528471121 567427768 /nfs/dbraw/zinc/42/77/68/567427768.db2.gz IXOOVCQIZKVUNP-GFCCVEGCSA-N -1 3 393.285 3.347 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cc(F)c(Br)cc1F ZINC000528478137 567428097 /nfs/dbraw/zinc/42/80/97/567428097.db2.gz PGVOPPIOJZHWGP-ZCFIWIBFSA-N -1 3 395.225 3.372 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccccc2F)CCC1 ZINC000593616584 567428585 /nfs/dbraw/zinc/42/85/85/567428585.db2.gz OWGMNGRSJKMBLG-UHFFFAOYSA-N -1 3 383.466 3.074 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cccc2ccsc21 ZINC000593617236 567428760 /nfs/dbraw/zinc/42/87/60/567428760.db2.gz TUOPEKXTWGNLIK-GFCCVEGCSA-N -1 3 395.424 3.205 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)CC[C@H]1CCCCO1)c1nc(C(F)(F)F)cs1 ZINC000641365494 567429787 /nfs/dbraw/zinc/42/97/87/567429787.db2.gz XVIXVYBYDOYADM-GHMZBOCLSA-N -1 3 386.461 3.492 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2SC)c1 ZINC000593622470 567430007 /nfs/dbraw/zinc/43/00/07/567430007.db2.gz CKZPOAAYOTWXPD-CHWSQXEVSA-N -1 3 394.356 3.410 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)CC[C@@H]1CCCCO1)c1nc(C(F)(F)F)cs1 ZINC000641365496 567430108 /nfs/dbraw/zinc/43/01/08/567430108.db2.gz XVIXVYBYDOYADM-QWRGUYRKSA-N -1 3 386.461 3.492 20 0 GGADHM CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1[O-] ZINC000436519549 567431259 /nfs/dbraw/zinc/43/12/59/567431259.db2.gz XPUTXJGQNZLKRY-UHFFFAOYSA-N -1 3 381.259 3.478 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Br ZINC000436518133 567431403 /nfs/dbraw/zinc/43/14/03/567431403.db2.gz XGLLBMSGLCBBST-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CN(C)CCOc1ccccc1CNC(=O)c1ccc(Br)cc1[O-] ZINC000436541012 567433101 /nfs/dbraw/zinc/43/31/01/567433101.db2.gz VHMXJUXQPYLYKI-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM COC(=O)[C@H](NC(=O)c1cccc(C)c1[O-])c1ccc(Br)cc1 ZINC000436540174 567433171 /nfs/dbraw/zinc/43/31/71/567433171.db2.gz QNCQNYKEIJQABE-CQSZACIVSA-N -1 3 378.222 3.107 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn(CC)c(C)n1)c1nc(C(F)(F)F)cs1 ZINC000502418264 567433716 /nfs/dbraw/zinc/43/37/16/567433716.db2.gz DNOXBUBEQRIZPX-VIFPVBQESA-N -1 3 382.433 3.116 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000502435059 567433758 /nfs/dbraw/zinc/43/37/58/567433758.db2.gz BFLDTXSVTJBCEY-MRXNPFEDSA-N -1 3 379.869 3.084 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(Br)cc1[O-] ZINC000436542772 567433673 /nfs/dbraw/zinc/43/36/73/567433673.db2.gz BONWJWALBMRWEQ-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM CN(C)CCOc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436568156 567434778 /nfs/dbraw/zinc/43/47/78/567434778.db2.gz QZNBGAJYRVJNHR-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CCC2)nc1C ZINC000502444959 567435623 /nfs/dbraw/zinc/43/56/23/567435623.db2.gz QFIREEDMHUTKEO-UHFFFAOYSA-N -1 3 398.326 3.332 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@H]3CCCOC3)nc(=O)c2c1C ZINC000502464755 567435716 /nfs/dbraw/zinc/43/57/16/567435716.db2.gz DHBLDBKIVKNZML-MNOVXSKESA-N -1 3 382.507 3.443 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@@H]3CCCOC3)nc(=O)c2c1C ZINC000502464752 567435893 /nfs/dbraw/zinc/43/58/93/567435893.db2.gz DHBLDBKIVKNZML-GHMZBOCLSA-N -1 3 382.507 3.443 20 0 GGADHM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1[O-] ZINC000436575524 567436275 /nfs/dbraw/zinc/43/62/75/567436275.db2.gz NWBAOXQBWLEDMC-UHFFFAOYSA-N -1 3 378.201 3.143 20 0 GGADHM C[C@H]1CC[C@H](CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000478152405 567439207 /nfs/dbraw/zinc/43/92/07/567439207.db2.gz IVOIECWVIYEFLW-RYUDHWBXSA-N -1 3 393.336 3.214 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ncccc2F)sc1Br ZINC000528573756 567439799 /nfs/dbraw/zinc/43/97/99/567439799.db2.gz KSHIRCDDUJCPMG-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM C[C@H]1CC[C@@H](CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000478161203 567439915 /nfs/dbraw/zinc/43/99/15/567439915.db2.gz BHPPZSQJTBMGOO-QWHCGFSZSA-N -1 3 398.575 3.454 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000436650822 567440534 /nfs/dbraw/zinc/44/05/34/567440534.db2.gz XNJQMTQEYDCGII-OAHLLOKOSA-N -1 3 378.222 3.074 20 0 GGADHM COc1ccc(C(=O)NCc2cc(OC)c(OC)cc2Br)c([O-])c1 ZINC000436656028 567440566 /nfs/dbraw/zinc/44/05/66/567440566.db2.gz FLRWQWUWFBAFGZ-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000436650821 567440945 /nfs/dbraw/zinc/44/09/45/567440945.db2.gz XNJQMTQEYDCGII-HNNXBMFYSA-N -1 3 378.222 3.074 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000478183401 567441039 /nfs/dbraw/zinc/44/10/39/567441039.db2.gz WMKZUHDKJVOYFX-OAHLLOKOSA-N -1 3 384.498 3.011 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000528589559 567441390 /nfs/dbraw/zinc/44/13/90/567441390.db2.gz GKDINNVOVIGWGB-QGZVFWFLSA-N -1 3 382.869 3.182 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000569900497 567441688 /nfs/dbraw/zinc/44/16/88/567441688.db2.gz WCDSMVPCNSSEKM-KWQFWETISA-N -1 3 376.265 3.183 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000528589558 567441970 /nfs/dbraw/zinc/44/19/70/567441970.db2.gz GKDINNVOVIGWGB-KRWDZBQOSA-N -1 3 382.869 3.182 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(F)c(F)cc1Br ZINC000569894631 567442187 /nfs/dbraw/zinc/44/21/87/567442187.db2.gz FLXBZSKWPAZTPP-UHFFFAOYSA-N -1 3 398.147 3.048 20 0 GGADHM O=C(NCc1cc(Br)ccc1OC(F)F)c1c([O-])cccc1O ZINC000436668482 567442402 /nfs/dbraw/zinc/44/24/02/567442402.db2.gz CNJVPRMHHDEQSS-UHFFFAOYSA-N -1 3 388.164 3.392 20 0 GGADHM CCS(=O)(=O)c1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1 ZINC000478219002 567442369 /nfs/dbraw/zinc/44/23/69/567442369.db2.gz UZXDNJPAXTVSGK-UHFFFAOYSA-N -1 3 393.262 3.146 20 0 GGADHM O=S(=O)(NC1CC1)c1cccc(NCc2cccc([O-])c2Br)c1 ZINC000569906292 567442416 /nfs/dbraw/zinc/44/24/16/567442416.db2.gz VOAPYNIVNWDPFK-UHFFFAOYSA-N -1 3 397.294 3.208 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1OC(F)F ZINC000569917371 567443296 /nfs/dbraw/zinc/44/32/96/567443296.db2.gz XRMSHZDUKQNZDK-GFCCVEGCSA-N -1 3 379.400 3.197 20 0 GGADHM Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(Br)c1 ZINC000436697808 567443655 /nfs/dbraw/zinc/44/36/55/567443655.db2.gz NYTWMZQDWMPVCQ-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CC(=O)c1sc2[n-]c(CSc3nncn3C(C)(C)C)nc(=O)c2c1C ZINC000502599706 567444009 /nfs/dbraw/zinc/44/40/09/567444009.db2.gz GJSWVEZBVHURBL-UHFFFAOYSA-N -1 3 377.495 3.134 20 0 GGADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000641598571 567444118 /nfs/dbraw/zinc/44/41/18/567444118.db2.gz NPGXVSXLQIZTCU-UHFFFAOYSA-N -1 3 391.262 3.487 20 0 GGADHM O=S(=O)([N-]Cc1ncc2c(n1)CCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000641612630 567444806 /nfs/dbraw/zinc/44/48/06/567444806.db2.gz IJQYLFIVHPMEDT-UHFFFAOYSA-N -1 3 391.802 3.116 20 0 GGADHM O=S(=O)([N-]Cc1ncc2c(n1)CCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000641615253 567445676 /nfs/dbraw/zinc/44/56/76/567445676.db2.gz JMBWDUFRMPTXCP-UHFFFAOYSA-N -1 3 391.802 3.116 20 0 GGADHM COc1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)c([O-])c1 ZINC000436714880 567445771 /nfs/dbraw/zinc/44/57/71/567445771.db2.gz HBGQGAWDUJCFGO-OAHLLOKOSA-N -1 3 380.238 3.017 20 0 GGADHM COc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c([O-])c1 ZINC000436721417 567446025 /nfs/dbraw/zinc/44/60/25/567446025.db2.gz HJXHZSYJPVHODZ-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM COc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c([O-])c1 ZINC000436718785 567446186 /nfs/dbraw/zinc/44/61/86/567446186.db2.gz MQIXGIDWXANPIZ-CYBMUJFWSA-N -1 3 391.265 3.172 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619354573 567446668 /nfs/dbraw/zinc/44/66/68/567446668.db2.gz HAEPYLHNPHKGHD-ZIAGYGMSSA-N -1 3 382.551 3.231 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cccc(CSC)c1 ZINC000569954756 567446556 /nfs/dbraw/zinc/44/65/56/567446556.db2.gz MWZDALLZPZBGAJ-UHFFFAOYSA-N -1 3 378.475 3.283 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436736287 567447291 /nfs/dbraw/zinc/44/72/91/567447291.db2.gz OFJQUIKOOHIVOX-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM O=C(NC[C@]1(O)CCCc2ccccc21)c1cc([O-])cc(Br)c1 ZINC000528673984 567447665 /nfs/dbraw/zinc/44/76/65/567447665.db2.gz AVZMAUZLMRTHBY-GOSISDBHSA-N -1 3 376.250 3.109 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000436734117 567447732 /nfs/dbraw/zinc/44/77/32/567447732.db2.gz ZMKSXOLEGFFIMS-SSDOTTSWSA-N -1 3 394.305 3.448 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000436739831 567447997 /nfs/dbraw/zinc/44/79/97/567447997.db2.gz XLOFWJLIJZONFL-QMMMGPOBSA-N -1 3 393.412 3.160 20 0 GGADHM O=C(c1ccc(Br)cc1[O-])N1CCN(CCc2ccccc2)CC1 ZINC000436757058 567448851 /nfs/dbraw/zinc/44/88/51/567448851.db2.gz SVPQXOCBGXIXIL-UHFFFAOYSA-N -1 3 389.293 3.155 20 0 GGADHM Cc1ccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c([O-])c1C ZINC000436741113 567449230 /nfs/dbraw/zinc/44/92/30/567449230.db2.gz SAMABHSZQUYUFC-LBPRGKRZSA-N -1 3 384.259 3.486 20 0 GGADHM Cc1nc(-c2ccccc2)c(NC(=O)C[N-]S(=O)(=O)c2cccs2)s1 ZINC000502763273 567450496 /nfs/dbraw/zinc/45/04/96/567450496.db2.gz NVBYLYDGKUHZKK-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CO)c2Cl)cc1OCC ZINC000641689779 567450606 /nfs/dbraw/zinc/45/06/06/567450606.db2.gz IGJUTJQYSWAERD-UHFFFAOYSA-N -1 3 385.869 3.431 20 0 GGADHM CN(C)S(=O)(=O)c1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1Cl ZINC000436773754 567450721 /nfs/dbraw/zinc/45/07/21/567450721.db2.gz SZXBBOPLKALQTD-UHFFFAOYSA-N -1 3 379.825 3.013 20 0 GGADHM COc1ccc(Br)cc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436781876 567451408 /nfs/dbraw/zinc/45/14/08/567451408.db2.gz LOPFVVREBSYZDK-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM O=C(NCCc1nc(-c2ccc([O-])cc2)no1)c1ccc(Br)cc1 ZINC000436774524 567451764 /nfs/dbraw/zinc/45/17/64/567451764.db2.gz WVNVQEVCKVWGMB-UHFFFAOYSA-N -1 3 388.221 3.177 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(O)cc2)no1 ZINC000436770722 567451820 /nfs/dbraw/zinc/45/18/20/567451820.db2.gz SXGNYCDIPYTPOH-JTQLQIEISA-N -1 3 379.825 3.135 20 0 GGADHM CC[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@@H](CC)CN1C(C)=O ZINC000528740228 567451925 /nfs/dbraw/zinc/45/19/25/567451925.db2.gz SGAFLVASYPONNU-GJZGRUSLSA-N -1 3 383.286 3.016 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)C2(c3cccc(Br)c3)CC2)[n-]1 ZINC000619447773 567452062 /nfs/dbraw/zinc/45/20/62/567452062.db2.gz NZXSPQAYNMNPGQ-UHFFFAOYSA-N -1 3 378.226 3.019 20 0 GGADHM CCOC(=O)c1nc(NC(=O)C2(c3cccc(Br)c3)CC2)c[n-]1 ZINC000619447773 567452068 /nfs/dbraw/zinc/45/20/68/567452068.db2.gz NZXSPQAYNMNPGQ-UHFFFAOYSA-N -1 3 378.226 3.019 20 0 GGADHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(Br)ccc3[O-])c12 ZINC000436805191 567452498 /nfs/dbraw/zinc/45/24/98/567452498.db2.gz XHECXSURQVTZKN-UHFFFAOYSA-N -1 3 375.226 3.306 20 0 GGADHM CCc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000436802189 567452743 /nfs/dbraw/zinc/45/27/43/567452743.db2.gz HEHVEVHKSAIWQC-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CSCc2ccc(Br)cc2)[n-]1 ZINC000619446634 567453060 /nfs/dbraw/zinc/45/30/60/567453060.db2.gz RGMMIOSKFJDZRJ-UHFFFAOYSA-N -1 3 398.282 3.221 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CSCc2ccc(Br)cc2)c[n-]1 ZINC000619446634 567453063 /nfs/dbraw/zinc/45/30/63/567453063.db2.gz RGMMIOSKFJDZRJ-UHFFFAOYSA-N -1 3 398.282 3.221 20 0 GGADHM Cc1cccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1[O-] ZINC000436809380 567454125 /nfs/dbraw/zinc/45/41/25/567454125.db2.gz OEYXJAXNKNNADL-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2c[nH]c3ccc(Br)cc23)[n-]1 ZINC000619449015 567454215 /nfs/dbraw/zinc/45/42/15/567454215.db2.gz OJNVMGQKKQXAQH-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2c[nH]c3ccc(Br)cc23)c[n-]1 ZINC000619449015 567454222 /nfs/dbraw/zinc/45/42/22/567454222.db2.gz OJNVMGQKKQXAQH-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2[nH]c3ccccc3c2Br)[n-]1 ZINC000619448178 567454400 /nfs/dbraw/zinc/45/44/00/567454400.db2.gz GUFRYNNIRDKHKX-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2[nH]c3ccccc3c2Br)c[n-]1 ZINC000619448178 567454404 /nfs/dbraw/zinc/45/44/04/567454404.db2.gz GUFRYNNIRDKHKX-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436820645 567454672 /nfs/dbraw/zinc/45/46/72/567454672.db2.gz IBGORJYYNUKTJE-QFYYESIMSA-N -1 3 380.238 3.366 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCCc2cccc(Br)c2)[n-]1 ZINC000619449784 567454665 /nfs/dbraw/zinc/45/46/65/567454665.db2.gz VBNGTSACTKEQSN-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCCc2cccc(Br)c2)c[n-]1 ZINC000619449784 567454670 /nfs/dbraw/zinc/45/46/70/567454670.db2.gz VBNGTSACTKEQSN-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1 ZINC000502817533 567454747 /nfs/dbraw/zinc/45/47/47/567454747.db2.gz KVWQBPOAWHBXOS-LBPRGKRZSA-N -1 3 379.507 3.056 20 0 GGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1F ZINC000619464096 567455279 /nfs/dbraw/zinc/45/52/79/567455279.db2.gz XKDUMOWKCFTCLY-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM COC(=O)[C@@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(Cl)cc1Cl ZINC000436833128 567455552 /nfs/dbraw/zinc/45/55/52/567455552.db2.gz LHOBSTIGQZYCQI-AWEZNQCLSA-N -1 3 384.215 3.352 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)s1 ZINC000570052180 567455802 /nfs/dbraw/zinc/45/58/02/567455802.db2.gz GJOUUBLQYYCMKT-QMMMGPOBSA-N -1 3 377.896 3.215 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436841620 567456290 /nfs/dbraw/zinc/45/62/90/567456290.db2.gz VVUUJSJLXRRIOV-QLJPJBMISA-N -1 3 380.238 3.366 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436841617 567456547 /nfs/dbraw/zinc/45/65/47/567456547.db2.gz VVUUJSJLXRRIOV-HWPZZCPQSA-N -1 3 380.238 3.366 20 0 GGADHM O=C(c1ccccc1[O-])N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000436843558 567456628 /nfs/dbraw/zinc/45/66/28/567456628.db2.gz IPIABGHQWOZGCU-UHFFFAOYSA-N -1 3 390.237 3.287 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000570094385 567456863 /nfs/dbraw/zinc/45/68/63/567456863.db2.gz BEMMRCKHYYUFDO-UHFFFAOYSA-N -1 3 389.260 3.040 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C2(OC)CCCC2)c(F)cc1F ZINC000570111327 567458220 /nfs/dbraw/zinc/45/82/20/567458220.db2.gz GUZFQEMEOOKGPN-UHFFFAOYSA-N -1 3 376.425 3.014 20 0 GGADHM O=C([N-]c1nn2cnnc2s1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000641924828 567460430 /nfs/dbraw/zinc/46/04/30/567460430.db2.gz DOKNVESWJRRNSQ-UHFFFAOYSA-N -1 3 384.471 3.198 20 0 GGADHM Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2Br)c([O-])c1 ZINC000436869188 567460751 /nfs/dbraw/zinc/46/07/51/567460751.db2.gz LYBRNRFTCSHPCL-ZDUSSCGKSA-N -1 3 378.266 3.044 20 0 GGADHM Cc1cccc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c1[O-] ZINC000436867461 567460851 /nfs/dbraw/zinc/46/08/51/567460851.db2.gz COWXPUINQSXMTQ-AWEZNQCLSA-N -1 3 378.266 3.044 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(Cl)cc1Cl ZINC000641951847 567461044 /nfs/dbraw/zinc/46/10/44/567461044.db2.gz DBXYGLDGJGBXAK-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM Cc1ccc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)c([O-])c1 ZINC000436872131 567463072 /nfs/dbraw/zinc/46/30/72/567463072.db2.gz SLFAXDALZMWKRD-CQSZACIVSA-N -1 3 378.266 3.044 20 0 GGADHM C[C@@H]1CC[C@H](CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)O1 ZINC000457389847 567463246 /nfs/dbraw/zinc/46/32/46/567463246.db2.gz YHOCIZWBVXTBKV-PSASIEDQSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H]1CC[C@H](CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])O1 ZINC000457389847 567463251 /nfs/dbraw/zinc/46/32/51/567463251.db2.gz YHOCIZWBVXTBKV-PSASIEDQSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]1CCCN(CCNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000436908372 567463990 /nfs/dbraw/zinc/46/39/90/567463990.db2.gz IRSDKKMDJZVHDG-JTQLQIEISA-N -1 3 375.694 3.270 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2nn[n-]c21)Oc1ccc(Br)cc1 ZINC000503022065 567464829 /nfs/dbraw/zinc/46/48/29/567464829.db2.gz KCPUNOLIWJXENX-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2[n-]nnc21)Oc1ccc(Br)cc1 ZINC000503022065 567464835 /nfs/dbraw/zinc/46/48/35/567464835.db2.gz KCPUNOLIWJXENX-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2n[n-]nc21)Oc1ccc(Br)cc1 ZINC000503022065 567464842 /nfs/dbraw/zinc/46/48/42/567464842.db2.gz KCPUNOLIWJXENX-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436919756 567465987 /nfs/dbraw/zinc/46/59/87/567465987.db2.gz OVLUZODKXZLRST-ZDUSSCGKSA-N -1 3 375.730 3.233 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(Br)ccc1[O-] ZINC000436923694 567466857 /nfs/dbraw/zinc/46/68/57/567466857.db2.gz DQIBYOYATNKHJP-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)ccc1[O-] ZINC000436918399 567467356 /nfs/dbraw/zinc/46/73/56/567467356.db2.gz HRLKMPJRNJMWJB-UHFFFAOYSA-N -1 3 390.244 3.311 20 0 GGADHM COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436936245 567468685 /nfs/dbraw/zinc/46/86/85/567468685.db2.gz AHJGFYITOUWMLL-INIZCTEOSA-N -1 3 392.249 3.449 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000570240427 567468778 /nfs/dbraw/zinc/46/87/78/567468778.db2.gz RWDUYAKALKCLDL-UHFFFAOYSA-N -1 3 391.873 3.464 20 0 GGADHM COC(=O)[C@](C)(NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000436951182 567468970 /nfs/dbraw/zinc/46/89/70/567468970.db2.gz DXRKYOQFDHRMRV-QGZVFWFLSA-N -1 3 384.215 3.223 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2ccccc2Br)[n-]1 ZINC000619617194 567469788 /nfs/dbraw/zinc/46/97/88/567469788.db2.gz SAJBPFGYBWEEIF-UHFFFAOYSA-N -1 3 380.242 3.265 20 0 GGADHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2ccccc2Br)c[n-]1 ZINC000619617194 567469794 /nfs/dbraw/zinc/46/97/94/567469794.db2.gz SAJBPFGYBWEEIF-UHFFFAOYSA-N -1 3 380.242 3.265 20 0 GGADHM COc1ccc(C(=O)NCc2cn3cc(Br)cc(C)c3n2)c([O-])c1 ZINC000436958214 567469946 /nfs/dbraw/zinc/46/99/46/567469946.db2.gz DXOJDAJHCQMUHR-UHFFFAOYSA-N -1 3 390.237 3.049 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ncc(OC)cc2Br)cc1 ZINC000570269304 567471422 /nfs/dbraw/zinc/47/14/22/567471422.db2.gz YGERIPHEZQOHIV-UHFFFAOYSA-N -1 3 387.255 3.052 20 0 GGADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(I)ccc1[O-] ZINC000436986687 567471613 /nfs/dbraw/zinc/47/16/13/567471613.db2.gz RPXZWNGFHDDBBG-UHFFFAOYSA-N -1 3 393.131 3.218 20 0 GGADHM CC(C)CN(C(=O)c1cc(F)cc(Br)c1[O-])C1CCN(C)CC1 ZINC000436992793 567472185 /nfs/dbraw/zinc/47/21/85/567472185.db2.gz YMRSWIJHVMFRSA-UHFFFAOYSA-N -1 3 387.293 3.486 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2c(C)c(C)sc2Br)s1 ZINC000619655788 567472571 /nfs/dbraw/zinc/47/25/71/567472571.db2.gz QNUPMKGMDVBERM-UHFFFAOYSA-N -1 3 390.284 3.408 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1C ZINC000642239925 567473292 /nfs/dbraw/zinc/47/32/92/567473292.db2.gz UREDMBLSOPWNJV-UHFFFAOYSA-N -1 3 385.869 3.483 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)c2nnc3n2CCC3)c1Cl ZINC000594384698 567473411 /nfs/dbraw/zinc/47/34/11/567473411.db2.gz XIOPOUSFKLOMIC-JTQLQIEISA-N -1 3 389.308 3.187 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC000503219970 567473542 /nfs/dbraw/zinc/47/35/42/567473542.db2.gz HKUVOZPLHZGNTB-NSHDSACASA-N -1 3 388.272 3.284 20 0 GGADHM Cc1ccc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c([O-])c1 ZINC000437002676 567473931 /nfs/dbraw/zinc/47/39/31/567473931.db2.gz RQWIFWYLJCCKFI-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c1Cl ZINC000503217896 567474071 /nfs/dbraw/zinc/47/40/71/567474071.db2.gz HJKNOSRHRIBLLI-UHFFFAOYSA-N -1 3 376.290 3.490 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000478660429 567474243 /nfs/dbraw/zinc/47/42/43/567474243.db2.gz FVHGXGWZRIYKKO-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000528972537 567474385 /nfs/dbraw/zinc/47/43/85/567474385.db2.gz IGYMIYDHGPSQGA-QGZVFWFLSA-N -1 3 376.250 3.238 20 0 GGADHM COc1cc(C(=O)Nc2ccc(Br)cc2[O-])cc(OC)c1OC ZINC000642323983 567474499 /nfs/dbraw/zinc/47/44/99/567474499.db2.gz KKTLAWGENMEIMA-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM Cc1cccc([C@@H](CC(=O)Nc2ccc(Br)cc2[O-])NC(N)=O)c1 ZINC000642323345 567474707 /nfs/dbraw/zinc/47/47/07/567474707.db2.gz IFMHGXUMKWCMPN-CQSZACIVSA-N -1 3 392.253 3.201 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2c(c1)NC(=O)CS2 ZINC000642322947 567474774 /nfs/dbraw/zinc/47/47/74/567474774.db2.gz BFKFVFSGKXDNMH-UHFFFAOYSA-N -1 3 379.235 3.451 20 0 GGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000503222038 567475565 /nfs/dbraw/zinc/47/55/65/567475565.db2.gz VGGDDURAWWSQJV-UHFFFAOYSA-N -1 3 399.310 3.500 20 0 GGADHM Cc1noc(C2(C)CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)n1 ZINC000528998278 567475635 /nfs/dbraw/zinc/47/56/35/567475635.db2.gz MQZMDRVYXXZKAF-UHFFFAOYSA-N -1 3 380.242 3.040 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478681568 567475869 /nfs/dbraw/zinc/47/58/69/567475869.db2.gz PBHMBAUASCWERQ-NSHDSACASA-N -1 3 386.823 3.261 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1F ZINC000642333735 567476276 /nfs/dbraw/zinc/47/62/76/567476276.db2.gz YHKUYFKWMKRGKD-UHFFFAOYSA-N -1 3 392.235 3.382 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1F ZINC000642376902 567477122 /nfs/dbraw/zinc/47/71/22/567477122.db2.gz CVPACOXRLCFTOS-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM O=S(=O)(Cc1ccon1)[N-][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503247911 567477505 /nfs/dbraw/zinc/47/75/05/567477505.db2.gz SVLYDUAUBVYDFQ-KRWDZBQOSA-N -1 3 377.853 3.126 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)c1F ZINC000594455737 567477650 /nfs/dbraw/zinc/47/76/50/567477650.db2.gz HRVXACPOVHPIPY-UHFFFAOYSA-N -1 3 375.462 3.013 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)c1ccncc1 ZINC000594453075 567477784 /nfs/dbraw/zinc/47/77/84/567477784.db2.gz GENRTGBQZJBCMU-ZDUSSCGKSA-N -1 3 386.832 3.090 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000551095206 567478754 /nfs/dbraw/zinc/47/87/54/567478754.db2.gz DRULWSHPLONWJZ-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000642400791 567478852 /nfs/dbraw/zinc/47/88/52/567478852.db2.gz LULDWKRLSBDMCJ-AWEZNQCLSA-N -1 3 377.539 3.031 20 0 GGADHM CSCC1(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000594817550 567516319 /nfs/dbraw/zinc/51/63/19/567516319.db2.gz BJJPEWPXCFFZLU-UHFFFAOYSA-N -1 3 382.320 3.400 20 0 GGADHM C[C@](O)(C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1)C(F)(F)F ZINC000529047307 567480740 /nfs/dbraw/zinc/48/07/40/567480740.db2.gz JIOQWTGOOTURMI-AWEZNQCLSA-N -1 3 396.203 3.320 20 0 GGADHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000551138456 567481068 /nfs/dbraw/zinc/48/10/68/567481068.db2.gz WMZCFZXZXNLHND-OAHLLOKOSA-N -1 3 385.844 3.452 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(O)(c2ccccc2)CC1 ZINC000529045724 567481080 /nfs/dbraw/zinc/48/10/80/567481080.db2.gz PQGVMQVJSFRTCW-UHFFFAOYSA-N -1 3 376.250 3.279 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000478755579 567481686 /nfs/dbraw/zinc/48/16/86/567481686.db2.gz NDNZZPRXBMCZOS-KGLIPLIRSA-N -1 3 394.306 3.460 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c1OC ZINC000551144913 567481604 /nfs/dbraw/zinc/48/16/04/567481604.db2.gz WZMBCVHLXBLQAN-LLVKDONJSA-N -1 3 383.853 3.175 20 0 GGADHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000478761273 567481735 /nfs/dbraw/zinc/48/17/35/567481735.db2.gz BMZWNHZAXSMWPS-ZIAGYGMSSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccccc1Cl ZINC000503345216 567481905 /nfs/dbraw/zinc/48/19/05/567481905.db2.gz PBKCIUYWXJMMMI-INIZCTEOSA-N -1 3 381.885 3.234 20 0 GGADHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000478755581 567481922 /nfs/dbraw/zinc/48/19/22/567481922.db2.gz NDNZZPRXBMCZOS-ZIAGYGMSSA-N -1 3 394.306 3.460 20 0 GGADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)NC[C@H]1CCN1C1CCCCC1 ZINC000529058012 567481999 /nfs/dbraw/zinc/48/19/99/567481999.db2.gz HJBJVUAJSLVYHR-CQSZACIVSA-N -1 3 377.539 3.217 20 0 GGADHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(Br)s1)C(C)C ZINC000478774183 567482881 /nfs/dbraw/zinc/48/28/81/567482881.db2.gz RRPWBYADZKLWQE-CYBMUJFWSA-N -1 3 398.344 3.157 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)nc2cc(Cl)ccc21 ZINC000551167160 567483015 /nfs/dbraw/zinc/48/30/15/567483015.db2.gz IFDMAVMCQGRDHG-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1sccc1C ZINC000503434580 567484170 /nfs/dbraw/zinc/48/41/70/567484170.db2.gz ZLGDCCHOXNXBOF-UHFFFAOYSA-N -1 3 394.287 3.445 20 0 GGADHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000478790851 567484717 /nfs/dbraw/zinc/48/47/17/567484717.db2.gz XWHOGCXXUKSVIX-GHMZBOCLSA-N -1 3 382.345 3.383 20 0 GGADHM O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000503442998 567485936 /nfs/dbraw/zinc/48/59/36/567485936.db2.gz NZOLZTPTMOFVQB-UHFFFAOYSA-N -1 3 394.179 3.089 20 0 GGADHM O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000503442998 567485939 /nfs/dbraw/zinc/48/59/39/567485939.db2.gz NZOLZTPTMOFVQB-UHFFFAOYSA-N -1 3 394.179 3.089 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000503449989 567486084 /nfs/dbraw/zinc/48/60/84/567486084.db2.gz RGKSBEKTJRMEMC-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000503462762 567487298 /nfs/dbraw/zinc/48/72/98/567487298.db2.gz DQVYNTQZQUMJRF-QQXLSSBLSA-N -1 3 382.233 3.152 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccncc1F ZINC000551197577 567487261 /nfs/dbraw/zinc/48/72/61/567487261.db2.gz HRNYSSXNRVYFAA-SNVBAGLBSA-N -1 3 392.283 3.157 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c(F)c1 ZINC000478860677 567487362 /nfs/dbraw/zinc/48/73/62/567487362.db2.gz DYWZZIUQRLWHMH-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)c1Cl ZINC000570467751 567487688 /nfs/dbraw/zinc/48/76/88/567487688.db2.gz GPEIQRITEIHCTA-UHFFFAOYSA-N -1 3 399.259 3.225 20 0 GGADHM O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc([O-])cc(Br)c1 ZINC000529119185 567487676 /nfs/dbraw/zinc/48/76/76/567487676.db2.gz KDFYHFNOLMACCC-IINYFYTJSA-N -1 3 396.203 3.368 20 0 GGADHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc([O-])cc(Br)c1 ZINC000529119184 567487819 /nfs/dbraw/zinc/48/78/19/567487819.db2.gz KDFYHFNOLMACCC-HZMBPMFUSA-N -1 3 396.203 3.368 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)oc1C ZINC000437288312 567488005 /nfs/dbraw/zinc/48/80/05/567488005.db2.gz MRACBECMBSFMSG-WDEREUQCSA-N -1 3 383.388 3.022 20 0 GGADHM COc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c(Cl)c1 ZINC000642937802 567488518 /nfs/dbraw/zinc/48/85/18/567488518.db2.gz NZRGXVAATHZBCP-UHFFFAOYSA-N -1 3 377.231 3.472 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000437300341 567488891 /nfs/dbraw/zinc/48/88/91/567488891.db2.gz BXRSQIBKMKMWLC-UHFFFAOYSA-N -1 3 382.869 3.302 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000437308642 567489305 /nfs/dbraw/zinc/48/93/05/567489305.db2.gz UBIHBHUNYCMJEU-NXEZZACHSA-N -1 3 385.429 3.182 20 0 GGADHM O=C(COC(F)F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000503498667 567489996 /nfs/dbraw/zinc/48/99/96/567489996.db2.gz ZBEJPIHKCWGOAT-UHFFFAOYSA-N -1 3 390.795 3.319 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000529148783 567490518 /nfs/dbraw/zinc/49/05/18/567490518.db2.gz BECUPECDNIGWGG-QGZVFWFLSA-N -1 3 392.249 3.075 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000529148782 567490634 /nfs/dbraw/zinc/49/06/34/567490634.db2.gz BECUPECDNIGWGG-KRWDZBQOSA-N -1 3 392.249 3.075 20 0 GGADHM O=S(=O)(NCc1nnc(C(F)(F)F)[n-]1)c1csc2ccc(Cl)cc12 ZINC000478914559 567490976 /nfs/dbraw/zinc/49/09/76/567490976.db2.gz GDABIQPBHLVRBK-UHFFFAOYSA-N -1 3 396.803 3.170 20 0 GGADHM O=S(=O)(NCc1n[n-]c(C(F)(F)F)n1)c1csc2ccc(Cl)cc12 ZINC000478914559 567490983 /nfs/dbraw/zinc/49/09/83/567490983.db2.gz GDABIQPBHLVRBK-UHFFFAOYSA-N -1 3 396.803 3.170 20 0 GGADHM CC(C)(C)N1C[C@@H](CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1=O ZINC000620014094 567491194 /nfs/dbraw/zinc/49/11/94/567491194.db2.gz FNSLYTFEECINNZ-SNVBAGLBSA-N -1 3 380.901 3.168 20 0 GGADHM Cc1ccsc1S(=O)(=O)[N-]c1ccc(CCN2CCSCC2)cc1 ZINC000437322066 567491243 /nfs/dbraw/zinc/49/12/43/567491243.db2.gz YKYGDAXOEWXQKU-UHFFFAOYSA-N -1 3 382.576 3.449 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cs1 ZINC000437328589 567492622 /nfs/dbraw/zinc/49/26/22/567492622.db2.gz WRHKGPJKJYGGCO-VIFPVBQESA-N -1 3 396.412 3.228 20 0 GGADHM Cc1cc(Br)cc(C)c1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000478966657 567493061 /nfs/dbraw/zinc/49/30/61/567493061.db2.gz ZJUDLKBXJDVOQO-UHFFFAOYSA-N -1 3 378.270 3.037 20 0 GGADHM CCCc1sc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1CC ZINC000437347262 567493262 /nfs/dbraw/zinc/49/32/62/567493262.db2.gz SJPIERKPROXJQH-UHFFFAOYSA-N -1 3 386.564 3.033 20 0 GGADHM O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc([O-])cc(Br)c1 ZINC000529168986 567494068 /nfs/dbraw/zinc/49/40/68/567494068.db2.gz SQWSQGSXSPGRCG-WMZOPIPTSA-N -1 3 394.240 3.190 20 0 GGADHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643193026 567496225 /nfs/dbraw/zinc/49/62/25/567496225.db2.gz NGHZZBJKDAORJR-UHFFFAOYSA-N -1 3 380.413 3.266 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000570580031 567496591 /nfs/dbraw/zinc/49/65/91/567496591.db2.gz JOWGHDQRCXAEEA-VIFPVBQESA-N -1 3 392.253 3.322 20 0 GGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(F)cc2nn[n-]c21 ZINC000503599557 567496696 /nfs/dbraw/zinc/49/66/96/567496696.db2.gz NGWLITCAQLPPKM-UHFFFAOYSA-N -1 3 389.228 3.321 20 0 GGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(F)cc2[n-]nnc21 ZINC000503599557 567496702 /nfs/dbraw/zinc/49/67/02/567496702.db2.gz NGWLITCAQLPPKM-UHFFFAOYSA-N -1 3 389.228 3.321 20 0 GGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000503599557 567496710 /nfs/dbraw/zinc/49/67/10/567496710.db2.gz NGWLITCAQLPPKM-UHFFFAOYSA-N -1 3 389.228 3.321 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1O ZINC000643196482 567496708 /nfs/dbraw/zinc/49/67/08/567496708.db2.gz YGSKEDUVPUXGNC-UHFFFAOYSA-N -1 3 381.397 3.002 20 0 GGADHM O=S(=O)([N-]c1ccncc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000437423009 567496957 /nfs/dbraw/zinc/49/69/57/567496957.db2.gz SBUOQHQWFKAKFB-UHFFFAOYSA-N -1 3 381.173 3.086 20 0 GGADHM COc1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)c(Br)c1[O-] ZINC000663337410 567497514 /nfs/dbraw/zinc/49/75/14/567497514.db2.gz WSNCBBPRLOTYHH-AWEZNQCLSA-N -1 3 397.313 3.187 20 0 GGADHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc([O-])cc(Br)c1 ZINC000529217173 567497838 /nfs/dbraw/zinc/49/78/38/567497838.db2.gz MSOYCJRRGBBKJH-SNVBAGLBSA-N -1 3 380.242 3.035 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000643201346 567498107 /nfs/dbraw/zinc/49/81/07/567498107.db2.gz MJJJQLXVQSMLAN-UHFFFAOYSA-N -1 3 382.841 3.227 20 0 GGADHM COc1cccc2c1CCN(C(=O)c1cc([O-])cc(Br)c1)CC2 ZINC000529203255 567498245 /nfs/dbraw/zinc/49/82/45/567498245.db2.gz OLCVUNHCMVXJFW-UHFFFAOYSA-N -1 3 376.250 3.404 20 0 GGADHM O=C1CN(Cc2cccc(Br)c2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479036726 567498324 /nfs/dbraw/zinc/49/83/24/567498324.db2.gz XPIXTNFZZNWVDA-UHFFFAOYSA-N -1 3 393.212 3.258 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1ccc(C(F)(F)F)s1 ZINC000643204080 567498461 /nfs/dbraw/zinc/49/84/61/567498461.db2.gz ZHLLMSRCOXNLGV-MRVPVSSYSA-N -1 3 385.335 3.457 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1ccc(C(F)(F)F)s1 ZINC000643204042 567498499 /nfs/dbraw/zinc/49/84/99/567498499.db2.gz UMUQGMNYYZAFPM-UHFFFAOYSA-N -1 3 392.428 3.049 20 0 GGADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CCC2 ZINC000643202509 567498509 /nfs/dbraw/zinc/49/85/09/567498509.db2.gz YYILHRAZCWDPSA-SNVBAGLBSA-N -1 3 379.429 3.128 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl)C1CCCC1 ZINC000594695554 567499853 /nfs/dbraw/zinc/49/98/53/567499853.db2.gz TUQPESBAXVZPKV-HJPURHCSSA-N -1 3 393.958 3.165 20 0 GGADHM O=C(NC1CCN(c2nccs2)CC1)c1cc([O-])cc(Br)c1 ZINC000529263475 567500329 /nfs/dbraw/zinc/50/03/29/567500329.db2.gz ZWOLDIGPTDWBKJ-UHFFFAOYSA-N -1 3 382.283 3.010 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl)C1CCCC1 ZINC000594695556 567500266 /nfs/dbraw/zinc/50/02/66/567500266.db2.gz TUQPESBAXVZPKV-QMHKHESXSA-N -1 3 393.958 3.165 20 0 GGADHM COC1([C@H](C)[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCOCC1 ZINC000643224061 567501094 /nfs/dbraw/zinc/50/10/94/567501094.db2.gz WLOVQIFECIDTPC-LBPRGKRZSA-N -1 3 396.336 3.473 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccco1 ZINC000503706651 567501735 /nfs/dbraw/zinc/50/17/35/567501735.db2.gz FHGMELKQEJCWKO-NSHDSACASA-N -1 3 379.356 3.234 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)s1 ZINC000437646563 567502234 /nfs/dbraw/zinc/50/22/34/567502234.db2.gz PDYQVWSTJMYMOC-AAEUAGOBSA-N -1 3 397.595 3.338 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ncccc2Cl)ccc1F ZINC000551403933 567503090 /nfs/dbraw/zinc/50/30/90/567503090.db2.gz ATANHDFPQGVBMR-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1C ZINC000594723031 567503341 /nfs/dbraw/zinc/50/33/41/567503341.db2.gz JPSPWMBGYHJPBT-HNNXBMFYSA-N -1 3 389.901 3.382 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)c1C ZINC000594723032 567503543 /nfs/dbraw/zinc/50/35/43/567503543.db2.gz JPSPWMBGYHJPBT-OAHLLOKOSA-N -1 3 389.901 3.382 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)c1ccco1 ZINC000503725016 567503622 /nfs/dbraw/zinc/50/36/22/567503622.db2.gz JQYSUUQBBMRFJA-SNVBAGLBSA-N -1 3 394.312 3.468 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(C(F)(F)F)s1 ZINC000570669182 567503688 /nfs/dbraw/zinc/50/36/88/567503688.db2.gz CUQKQGGSIXQZAM-NEPJUHHUSA-N -1 3 392.424 3.361 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000570689194 567505012 /nfs/dbraw/zinc/50/50/12/567505012.db2.gz JHGNPAMWNBCLMT-QGZVFWFLSA-N -1 3 395.253 3.027 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000503769154 567505183 /nfs/dbraw/zinc/50/51/83/567505183.db2.gz DDJGULLQTROVQR-UHFFFAOYSA-N -1 3 380.279 3.311 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1Cc2ccc(F)cc21 ZINC000643325603 567505381 /nfs/dbraw/zinc/50/53/81/567505381.db2.gz HNAMQCBCVWHOML-JTQLQIEISA-N -1 3 392.150 3.047 20 0 GGADHM O=S(=O)([N-][C@H]1CCCOc2cc(Cl)ccc21)c1cn2c(n1)CCCC2 ZINC000503771441 567505405 /nfs/dbraw/zinc/50/54/05/567505405.db2.gz IHCYIJOUSIXTKA-AWEZNQCLSA-N -1 3 381.885 3.065 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1cccs1 ZINC000594742556 567506471 /nfs/dbraw/zinc/50/64/71/567506471.db2.gz OUZLMCXLKFYDAI-CYBMUJFWSA-N -1 3 391.873 3.264 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1coc(C2CCC2)n1 ZINC000643325632 567506619 /nfs/dbraw/zinc/50/66/19/567506619.db2.gz XQTOYXYXZJITEL-UHFFFAOYSA-N -1 3 393.163 3.138 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)c1ccco1 ZINC000503798211 567506768 /nfs/dbraw/zinc/50/67/68/567506768.db2.gz XUBSZLUFPAHCHQ-LLVKDONJSA-N -1 3 394.312 3.468 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1ccco1 ZINC000503808610 567506805 /nfs/dbraw/zinc/50/68/05/567506805.db2.gz DGGWREUGEYMGJT-ZDUSSCGKSA-N -1 3 392.246 3.237 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCOC1 ZINC000503821347 567506905 /nfs/dbraw/zinc/50/69/05/567506905.db2.gz SCQOEWIJFHBYFH-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]c2c(F)cc(F)cc2Br)nc1C ZINC000479139342 567507423 /nfs/dbraw/zinc/50/74/23/567507423.db2.gz ADRUALUIXMHJTJ-UHFFFAOYSA-N -1 3 380.214 3.053 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1ccco1 ZINC000503843613 567508017 /nfs/dbraw/zinc/50/80/17/567508017.db2.gz GITXHUPMSDKCLX-IAQYHMDHSA-N -1 3 385.869 3.313 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1Br)c1ccco1 ZINC000503834642 567508058 /nfs/dbraw/zinc/50/80/58/567508058.db2.gz WWJSTSIWPHNCOW-ZDUSSCGKSA-N -1 3 388.283 3.407 20 0 GGADHM CC(C)Sc1ccccc1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437782069 567508071 /nfs/dbraw/zinc/50/80/71/567508071.db2.gz XOQVGDXKMBIYKA-UHFFFAOYSA-N -1 3 399.563 3.349 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccco1 ZINC000503826609 567508197 /nfs/dbraw/zinc/50/81/97/567508197.db2.gz GBNYLJCQBIZUJX-CYBMUJFWSA-N -1 3 381.347 3.494 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)c1ccco1 ZINC000503823322 567508279 /nfs/dbraw/zinc/50/82/79/567508279.db2.gz HLNDEOQQTDMIPZ-CYBMUJFWSA-N -1 3 392.246 3.237 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C)c1ccco1 ZINC000503848840 567509416 /nfs/dbraw/zinc/50/94/16/567509416.db2.gz VYNYDFPYIOHOOT-CYBMUJFWSA-N -1 3 388.283 3.407 20 0 GGADHM CC(C)CC1(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000620281676 567510158 /nfs/dbraw/zinc/51/01/58/567510158.db2.gz XSNGBUYQTPTRNS-UHFFFAOYSA-N -1 3 393.336 3.357 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000594771478 567510214 /nfs/dbraw/zinc/51/02/14/567510214.db2.gz XILRGLMVHLUTTI-GFCCVEGCSA-N -1 3 382.835 3.121 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000594770742 567510480 /nfs/dbraw/zinc/51/04/80/567510480.db2.gz RTAOEBYUQXIRQG-OAHLLOKOSA-N -1 3 397.953 3.226 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2CCN(CC3CC3)C2)c1Cl ZINC000594775555 567512169 /nfs/dbraw/zinc/51/21/69/567512169.db2.gz RMXVBHPTBYBAFT-CYBMUJFWSA-N -1 3 377.337 3.373 20 0 GGADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCC(F)(F)F)n2)cc1F ZINC000551516095 567513502 /nfs/dbraw/zinc/51/35/02/567513502.db2.gz WNJDPKPFEZURHE-VIFPVBQESA-N -1 3 381.351 3.117 20 0 GGADHM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000529416342 567514241 /nfs/dbraw/zinc/51/42/41/567514241.db2.gz CVQILYYYHVIGEH-RYUDHWBXSA-N -1 3 397.313 3.262 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000529437740 567515212 /nfs/dbraw/zinc/51/52/12/567515212.db2.gz QPDQHTQTEQNUOB-HUUCEWRRSA-N -1 3 387.277 3.363 20 0 GGADHM O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])cc(Br)c1 ZINC000529429395 567515607 /nfs/dbraw/zinc/51/56/07/567515607.db2.gz XPEBKZRGMPGSHW-JTQLQIEISA-N -1 3 395.219 3.159 20 0 GGADHM O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])cc(Br)c1 ZINC000529429398 567515726 /nfs/dbraw/zinc/51/57/26/567515726.db2.gz XPEBKZRGMPGSHW-SNVBAGLBSA-N -1 3 395.219 3.159 20 0 GGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1ccc(Br)c(Cl)c1 ZINC000503961496 567516863 /nfs/dbraw/zinc/51/68/63/567516863.db2.gz MXIFZERFDWYPMJ-SNVBAGLBSA-N -1 3 382.707 3.340 20 0 GGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc3c(cc1Cl)CCC3=O)OCO2 ZINC000479240724 567518009 /nfs/dbraw/zinc/51/80/09/567518009.db2.gz ZVSFQPWXZCWVIR-UHFFFAOYSA-N -1 3 379.821 3.307 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1cncc(Br)c1 ZINC000503994990 567518216 /nfs/dbraw/zinc/51/82/16/567518216.db2.gz UFVLQDWCFLQLSG-UHFFFAOYSA-N -1 3 389.702 3.409 20 0 GGADHM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc([O-])cc(Br)c1 ZINC000529463062 567518208 /nfs/dbraw/zinc/51/82/08/567518208.db2.gz OTRAEGAPBDAFLI-CZUORRHYSA-N -1 3 377.238 3.200 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1Cl ZINC000479255702 567518599 /nfs/dbraw/zinc/51/85/99/567518599.db2.gz FPGVWPSSCLBMIC-UHFFFAOYSA-N -1 3 381.885 3.474 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc([S@@](C)=O)cc1 ZINC000551565213 567518680 /nfs/dbraw/zinc/51/86/80/567518680.db2.gz ROHWBQWBASRZQY-ZQJOYCHOSA-N -1 3 375.874 3.256 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000551576326 567520270 /nfs/dbraw/zinc/52/02/70/567520270.db2.gz VHYWDNNSJBQMGE-ZDUSSCGKSA-N -1 3 399.559 3.242 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000570881011 567520449 /nfs/dbraw/zinc/52/04/49/567520449.db2.gz ORGGCGJAFNSLBQ-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000438127182 567520750 /nfs/dbraw/zinc/52/07/50/567520750.db2.gz MCXUAIIDADZVHN-HAQNSBGRSA-N -1 3 378.947 3.012 20 0 GGADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2s1 ZINC000479277606 567520819 /nfs/dbraw/zinc/52/08/19/567520819.db2.gz ZMGDRCZPLSNNTP-UHFFFAOYSA-N -1 3 381.866 3.158 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000570892510 567520867 /nfs/dbraw/zinc/52/08/67/567520867.db2.gz QXDZFFZBFMUZOU-IAQYHMDHSA-N -1 3 391.320 3.063 20 0 GGADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1nc(C(F)(F)F)no1 ZINC000529502302 567522234 /nfs/dbraw/zinc/52/22/34/567522234.db2.gz QKKSDKXHRUPYOS-YFKPBYRVSA-N -1 3 380.120 3.048 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)cc(C)c2C)c(C)c1 ZINC000479287108 567522518 /nfs/dbraw/zinc/52/25/18/567522518.db2.gz SUYSSRLCULYEIY-UHFFFAOYSA-N -1 3 381.519 3.433 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)ccc1[O-] ZINC000458122780 567523660 /nfs/dbraw/zinc/52/36/60/567523660.db2.gz APHUGUKFVLLSEH-CYBMUJFWSA-N -1 3 396.256 3.183 20 0 GGADHM O=C(NC[C@H]1CCN1Cc1ccccc1)c1cc([O-])cc(Br)c1 ZINC000529525788 567524230 /nfs/dbraw/zinc/52/42/30/567524230.db2.gz BWRCFPDCRJBGSE-MRXNPFEDSA-N -1 3 375.266 3.159 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529520386 567524365 /nfs/dbraw/zinc/52/43/65/567524365.db2.gz PAWFKYCLMNKFLV-UMNHJUIQSA-N -1 3 382.283 3.249 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000458136169 567524958 /nfs/dbraw/zinc/52/49/58/567524958.db2.gz QILQDQVMQXYGLP-UKRRQHHQSA-N -1 3 378.416 3.241 20 0 GGADHM CC[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000570978542 567526952 /nfs/dbraw/zinc/52/69/52/567526952.db2.gz XMZUJQZDIUDLTI-LLVKDONJSA-N -1 3 398.834 3.038 20 0 GGADHM Cc1ccc2c(c1)CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000571012332 567530269 /nfs/dbraw/zinc/53/02/69/567530269.db2.gz JHZBNKIDBQAISH-UHFFFAOYSA-N -1 3 399.299 3.123 20 0 GGADHM CCSCc1cccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)c1 ZINC000438387990 567530355 /nfs/dbraw/zinc/53/03/55/567530355.db2.gz ONELGOZQFHXVBL-UHFFFAOYSA-N -1 3 399.563 3.231 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 ZINC000620624751 567531233 /nfs/dbraw/zinc/53/12/33/567531233.db2.gz WLLOETZLPTVFTP-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)ccc1OC(F)F ZINC000571036110 567531956 /nfs/dbraw/zinc/53/19/56/567531956.db2.gz XTALRXRDTRLXCT-QJPTWQEYSA-N -1 3 381.828 3.177 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000479413734 567533083 /nfs/dbraw/zinc/53/30/83/567533083.db2.gz VQRGTVYBEPZSLQ-SMDDNHRTSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000479431252 567534387 /nfs/dbraw/zinc/53/43/87/567534387.db2.gz YIGMESLWRWWWOW-NXEZZACHSA-N -1 3 382.345 3.383 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000438525334 567534828 /nfs/dbraw/zinc/53/48/28/567534828.db2.gz VDPQBZASRFCBOM-DGCLKSJQSA-N -1 3 378.416 3.157 20 0 GGADHM Cn1cc(Br)cc([N-]C(=O)c2c(Cl)cncc2Cl)c1=O ZINC000551762219 567534869 /nfs/dbraw/zinc/53/48/69/567534869.db2.gz KHDQNUMMZFPLAA-UHFFFAOYSA-N -1 3 377.025 3.102 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Br)c1)c1ccccc1F ZINC000504475850 567537448 /nfs/dbraw/zinc/53/74/48/567537448.db2.gz BSQCEZZQRRTAIU-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000479457613 567537737 /nfs/dbraw/zinc/53/77/37/567537737.db2.gz OOIYTDIQRXPVPR-RISCZKNCSA-N -1 3 394.306 3.460 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000571106338 567538267 /nfs/dbraw/zinc/53/82/67/567538267.db2.gz GHPLBLPOJWSQRL-VXGBXAGGSA-N -1 3 391.320 3.205 20 0 GGADHM C[C@]1(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC=CCC1 ZINC000458306492 567538642 /nfs/dbraw/zinc/53/86/42/567538642.db2.gz GQUCIMFXJHUREZ-INIZCTEOSA-N -1 3 391.320 3.277 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000644195963 567539462 /nfs/dbraw/zinc/53/94/62/567539462.db2.gz DOPHTDHUFRZAEP-UHFFFAOYSA-N -1 3 385.379 3.086 20 0 GGADHM O=C(NC[C@H]1CCN1Cc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000620770474 567541033 /nfs/dbraw/zinc/54/10/33/567541033.db2.gz AGYWZEZCAOTOAC-OAHLLOKOSA-N -1 3 375.266 3.159 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)s1 ZINC000644230423 567543155 /nfs/dbraw/zinc/54/31/55/567543155.db2.gz RQYDMXBGNNRMQS-WCQYABFASA-N -1 3 394.509 3.439 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000644273923 567545081 /nfs/dbraw/zinc/54/50/81/567545081.db2.gz FCVLSOHZNLXHKM-PELKAZGASA-N -1 3 389.848 3.186 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)N(Cc2ccsc2)c2ccccc2)c[n-]1 ZINC000438775673 567545285 /nfs/dbraw/zinc/54/52/85/567545285.db2.gz TYRMLSQUZSUJCZ-UHFFFAOYSA-N -1 3 376.459 3.258 20 0 GGADHM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(C)ncc1C ZINC000551940489 567545432 /nfs/dbraw/zinc/54/54/32/567545432.db2.gz RYHCURCPTHKGCV-UHFFFAOYSA-N -1 3 389.260 3.015 20 0 GGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccnc(N(C)C)c1 ZINC000479609642 567547776 /nfs/dbraw/zinc/54/77/76/567547776.db2.gz BWFHMTDYFUYDII-UHFFFAOYSA-N -1 3 388.262 3.158 20 0 GGADHM O=C(CCOc1ccccc1Br)Nc1nnc(-c2ccccn2)[n-]1 ZINC000620893715 567549155 /nfs/dbraw/zinc/54/91/55/567549155.db2.gz BUHLNQWVNUVKSD-UHFFFAOYSA-N -1 3 388.225 3.037 20 0 GGADHM O=C(CCOc1ccccc1Br)Nc1nc(-c2ccccn2)n[n-]1 ZINC000620893715 567549167 /nfs/dbraw/zinc/54/91/67/567549167.db2.gz BUHLNQWVNUVKSD-UHFFFAOYSA-N -1 3 388.225 3.037 20 0 GGADHM O=C(CCOc1ccccc1Br)Nc1n[n-]c(-c2ccccn2)n1 ZINC000620893715 567549173 /nfs/dbraw/zinc/54/91/73/567549173.db2.gz BUHLNQWVNUVKSD-UHFFFAOYSA-N -1 3 388.225 3.037 20 0 GGADHM O=S(=O)(CCCc1ccccc1Cl)c1nnc(Cc2ccccc2)[n-]1 ZINC000479632317 567550555 /nfs/dbraw/zinc/55/05/55/567550555.db2.gz AMNHHGIEMXZRSD-UHFFFAOYSA-N -1 3 375.881 3.455 20 0 GGADHM O=C([O-])[C@]12CN(Cc3ccc(I)cc3)C[C@H]1CCCC2 ZINC000595279706 567551440 /nfs/dbraw/zinc/55/14/40/567551440.db2.gz YBZCUXBLLFPOFK-CZUORRHYSA-N -1 3 385.245 3.368 20 0 GGADHM COc1ccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c(Br)c1[O-] ZINC000644427794 567552535 /nfs/dbraw/zinc/55/25/35/567552535.db2.gz VAEKCQMFYYNQKU-TVQRCGJNSA-N -1 3 384.192 3.099 20 0 GGADHM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cc(C)nc(=O)[n-]1 ZINC000504937168 567552954 /nfs/dbraw/zinc/55/29/54/567552954.db2.gz QCWCOFNNXHMAAC-AWEZNQCLSA-N -1 3 392.253 3.239 20 0 GGADHM Cc1cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)ccc1Br ZINC000479698592 567554068 /nfs/dbraw/zinc/55/40/68/567554068.db2.gz FJQZAVSFDDBSBT-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)ccc1Br ZINC000479698592 567554072 /nfs/dbraw/zinc/55/40/72/567554072.db2.gz FJQZAVSFDDBSBT-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC000479698592 567554075 /nfs/dbraw/zinc/55/40/75/567554075.db2.gz FJQZAVSFDDBSBT-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1C[C@H]1C1CCC1 ZINC000571332372 567554635 /nfs/dbraw/zinc/55/46/35/567554635.db2.gz SXBGMVAMGLNFOE-NWDGAFQWSA-N -1 3 386.876 3.295 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000552060650 567555120 /nfs/dbraw/zinc/55/51/20/567555120.db2.gz CCDJJHROGYQPTB-MRVPVSSYSA-N -1 3 376.176 3.430 20 0 GGADHM Cc1ccc(Br)cc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000438928615 567555173 /nfs/dbraw/zinc/55/51/73/567555173.db2.gz HYUXFWIRXCPZRZ-UHFFFAOYSA-N -1 3 397.294 3.059 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1C(F)(F)F ZINC000552069585 567555172 /nfs/dbraw/zinc/55/51/72/567555172.db2.gz JHRAYUYHDFPFFG-JTQLQIEISA-N -1 3 397.802 3.081 20 0 GGADHM CC(C)CN1CCCC[C@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000438940304 567555277 /nfs/dbraw/zinc/55/52/77/567555277.db2.gz BQDQXDBCLIALNF-LBPRGKRZSA-N -1 3 395.388 3.299 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)C1(c2cccc(Br)c2)CC1 ZINC000552061713 567555455 /nfs/dbraw/zinc/55/54/55/567555455.db2.gz XKQJMXXYNFGHGA-UHFFFAOYSA-N -1 3 385.059 3.027 20 0 GGADHM CC(=O)c1sc2[n-]c(CS[C@H](C)C(=O)OC(C)(C)C)nc(=O)c2c1C ZINC000479719782 567555548 /nfs/dbraw/zinc/55/55/48/567555548.db2.gz TZEDWDPKPZBRGO-SNVBAGLBSA-N -1 3 382.507 3.459 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC2CCCC2)s1 ZINC000438944236 567556608 /nfs/dbraw/zinc/55/66/08/567556608.db2.gz QJLWKKDZTQSIMA-UHFFFAOYSA-N -1 3 386.583 3.409 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cncs1 ZINC000552090851 567557102 /nfs/dbraw/zinc/55/71/02/567557102.db2.gz VSJUMNXDQZTEEM-VIFPVBQESA-N -1 3 380.322 3.079 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nccs1 ZINC000552088912 567557277 /nfs/dbraw/zinc/55/72/77/567557277.db2.gz WGZVLIPAUKVFEE-VIFPVBQESA-N -1 3 380.322 3.079 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(O)c1 ZINC000552089391 567557292 /nfs/dbraw/zinc/55/72/92/567557292.db2.gz JBWWNMPWOBGNJL-LLVKDONJSA-N -1 3 389.304 3.328 20 0 GGADHM C[C@@H](c1ncc(Br)cn1)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000438989752 567560131 /nfs/dbraw/zinc/56/01/31/567560131.db2.gz ZTZXXOAUEJGWBM-QMMMGPOBSA-N -1 3 380.271 3.142 20 0 GGADHM CSc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000505119410 567560321 /nfs/dbraw/zinc/56/03/21/567560321.db2.gz JVZZGVXMEJMTAN-UHFFFAOYSA-N -1 3 376.912 3.040 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc(F)cc2nn[n-]c21 ZINC000505130118 567561157 /nfs/dbraw/zinc/56/11/57/567561157.db2.gz PIRHYUDPJZCURB-GFCCVEGCSA-N -1 3 393.241 3.436 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc(F)cc2[n-]nnc21 ZINC000505130118 567561158 /nfs/dbraw/zinc/56/11/58/567561158.db2.gz PIRHYUDPJZCURB-GFCCVEGCSA-N -1 3 393.241 3.436 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc(F)cc2n[n-]nc21 ZINC000505130118 567561161 /nfs/dbraw/zinc/56/11/61/567561161.db2.gz PIRHYUDPJZCURB-GFCCVEGCSA-N -1 3 393.241 3.436 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000571440430 567561923 /nfs/dbraw/zinc/56/19/23/567561923.db2.gz SJPQEHSNEMSUTD-MGPLVRAMSA-N -1 3 377.238 3.476 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1ccc(Br)s1 ZINC000552127292 567561922 /nfs/dbraw/zinc/56/19/22/567561922.db2.gz NKXCSBXLYOOEAU-UHFFFAOYSA-N -1 3 387.324 3.306 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2cccs2)n1)c1ccccc1C(F)(F)F ZINC000571429812 567562177 /nfs/dbraw/zinc/56/21/77/567562177.db2.gz WAGRNAUJLRAHEG-UHFFFAOYSA-N -1 3 389.380 3.295 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000571440431 567562538 /nfs/dbraw/zinc/56/25/38/567562538.db2.gz SJPQEHSNEMSUTD-QFYYESIMSA-N -1 3 377.238 3.476 20 0 GGADHM CCCCN(C)C[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000644600962 567562859 /nfs/dbraw/zinc/56/28/59/567562859.db2.gz FJVHLAQDDLLMDR-GFCCVEGCSA-N -1 3 394.313 3.141 20 0 GGADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000621149136 567563651 /nfs/dbraw/zinc/56/36/51/567563651.db2.gz FSYDCOCWZNODHP-UHFFFAOYSA-N -1 3 399.285 3.377 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c(Cl)c1 ZINC000571476545 567565530 /nfs/dbraw/zinc/56/55/30/567565530.db2.gz GWNOMYIKAMWVOC-UHFFFAOYSA-N -1 3 393.646 3.013 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(COC2CCCC2)cc1 ZINC000571459184 567565262 /nfs/dbraw/zinc/56/52/62/567565262.db2.gz PYFYEFFJTHIOBT-UHFFFAOYSA-N -1 3 381.416 3.466 20 0 GGADHM Cc1n[nH]cc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000439173880 567569092 /nfs/dbraw/zinc/56/90/92/567569092.db2.gz VAMPVBZVPHWWMO-UHFFFAOYSA-N -1 3 380.633 3.198 20 0 GGADHM Cc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1Br ZINC000479927617 567569224 /nfs/dbraw/zinc/56/92/24/567569224.db2.gz IAAXNRLRCHWTAN-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1Br ZINC000479927617 567569231 /nfs/dbraw/zinc/56/92/31/567569231.db2.gz IAAXNRLRCHWTAN-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Br ZINC000479927617 567569234 /nfs/dbraw/zinc/56/92/34/567569234.db2.gz IAAXNRLRCHWTAN-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM COc1cc(F)c([N-]C(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1F ZINC000439168177 567569343 /nfs/dbraw/zinc/56/93/43/567569343.db2.gz MQEFEFBPBPNEDV-UHFFFAOYSA-N -1 3 375.780 3.283 20 0 GGADHM O=S(=O)([N-][C@H](Cc1nnc[nH]1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000439188670 567570285 /nfs/dbraw/zinc/57/02/85/567570285.db2.gz FYFHWRVJMCJFHA-CQSZACIVSA-N -1 3 397.287 3.374 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000571544936 567570227 /nfs/dbraw/zinc/57/02/27/567570227.db2.gz FNYQGZMOVWCAIO-UHFFFAOYSA-N -1 3 382.247 3.001 20 0 GGADHM O=S(=O)([N-][C@H](Cc1nc[nH]n1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000439188670 567570290 /nfs/dbraw/zinc/57/02/90/567570290.db2.gz FYFHWRVJMCJFHA-CQSZACIVSA-N -1 3 397.287 3.374 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000664471098 567570399 /nfs/dbraw/zinc/57/03/99/567570399.db2.gz NHECFEOENMXZJZ-SJCJKPOMSA-N -1 3 393.281 3.119 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CSc2cc(C)ccc2C)ccc1F ZINC000552261807 567571547 /nfs/dbraw/zinc/57/15/47/567571547.db2.gz QLFAVOADQFGRAG-UHFFFAOYSA-N -1 3 382.482 3.081 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000479966784 567571727 /nfs/dbraw/zinc/57/17/27/567571727.db2.gz SOIDPLFGOWHLTJ-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000479966784 567571732 /nfs/dbraw/zinc/57/17/32/567571732.db2.gz SOIDPLFGOWHLTJ-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000479966784 567571737 /nfs/dbraw/zinc/57/17/37/567571737.db2.gz SOIDPLFGOWHLTJ-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000552258921 567571628 /nfs/dbraw/zinc/57/16/28/567571628.db2.gz FOHCIGZRIAYPPZ-ZJUUUORDSA-N -1 3 382.379 3.041 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000571557024 567571820 /nfs/dbraw/zinc/57/18/20/567571820.db2.gz SPVJTKHAAIITPW-ROUUACIJSA-N -1 3 387.929 3.152 20 0 GGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1[nH][n-]cc1Br ZINC000552288405 567572962 /nfs/dbraw/zinc/57/29/62/567572962.db2.gz UOYTWSGZRRCAJO-LURJTMIESA-N -1 3 379.041 3.307 20 0 GGADHM C[C@@H](c1ccccc1Br)N(C)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000621278001 567573143 /nfs/dbraw/zinc/57/31/43/567573143.db2.gz WGWGIDSWTNZKAY-JTQLQIEISA-N -1 3 376.258 3.024 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530144138 567573475 /nfs/dbraw/zinc/57/34/75/567573475.db2.gz DBHDVIOSNTUFBJ-UHFFFAOYSA-N -1 3 399.921 3.341 20 0 GGADHM Cc1cc(C[C@H](C)NC(=O)c2c([O-])cnc3c(Br)cccc32)n[nH]1 ZINC000571575340 567573389 /nfs/dbraw/zinc/57/33/89/567573389.db2.gz BKHFOPGVJNYJQR-VIFPVBQESA-N -1 3 389.253 3.095 20 0 GGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3)c1 ZINC000530144507 567573531 /nfs/dbraw/zinc/57/35/31/567573531.db2.gz INXIZJFBMHBOIZ-UHFFFAOYSA-N -1 3 378.881 3.331 20 0 GGADHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530144408 567573931 /nfs/dbraw/zinc/57/39/31/567573931.db2.gz GMHADXSHBSGPEC-UHFFFAOYSA-N -1 3 385.894 3.033 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1ccc(C)o1 ZINC000480000134 567574256 /nfs/dbraw/zinc/57/42/56/567574256.db2.gz RDTJCWZEORNAGI-CQSZACIVSA-N -1 3 388.283 3.407 20 0 GGADHM CC(C)(C)CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000505414083 567574173 /nfs/dbraw/zinc/57/41/73/567574173.db2.gz JDYBYUJYYPNSRA-UHFFFAOYSA-N -1 3 380.535 3.101 20 0 GGADHM C[C@H]1CCC[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000552295009 567574766 /nfs/dbraw/zinc/57/47/66/567574766.db2.gz OGEMRXNEKOEUEU-RYUDHWBXSA-N -1 3 393.336 3.214 20 0 GGADHM CC1(C)CCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552298341 567574915 /nfs/dbraw/zinc/57/49/15/567574915.db2.gz BIBQVFFVXPWGNO-NSHDSACASA-N -1 3 393.336 3.214 20 0 GGADHM Cc1ccsc1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552299434 567574944 /nfs/dbraw/zinc/57/49/44/567574944.db2.gz CGBOQFSYQGJYKJ-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM COC(=O)c1cnoc1CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000505433494 567575172 /nfs/dbraw/zinc/57/51/72/567575172.db2.gz PWNRTNLHCLGELK-UHFFFAOYSA-N -1 3 380.813 3.104 20 0 GGADHM CC1(C)CCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552298340 567575194 /nfs/dbraw/zinc/57/51/94/567575194.db2.gz BIBQVFFVXPWGNO-LLVKDONJSA-N -1 3 393.336 3.214 20 0 GGADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3)cc1 ZINC000530147828 567575856 /nfs/dbraw/zinc/57/58/56/567575856.db2.gz NKLWTHPUUUGNBW-UHFFFAOYSA-N -1 3 378.881 3.331 20 0 GGADHM CCc1ocnc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2F)n1 ZINC000439249652 567576202 /nfs/dbraw/zinc/57/62/02/567576202.db2.gz SIWRXWNBXAYRCL-UHFFFAOYSA-N -1 3 380.177 3.176 20 0 GGADHM CC(C)[C@H](Oc1ccccc1Br)C(=O)[N-]c1nncn1C1CC1 ZINC000552321833 567576416 /nfs/dbraw/zinc/57/64/16/567576416.db2.gz MGBALTPVSKFYLF-AWEZNQCLSA-N -1 3 379.258 3.418 20 0 GGADHM O=S(=O)([N-][C@H]1CCCOc2c(F)cccc21)c1cc(F)c(F)c(F)c1 ZINC000480044714 567577343 /nfs/dbraw/zinc/57/73/43/567577343.db2.gz JZRWVHKDUSEJDG-AWEZNQCLSA-N -1 3 375.343 3.435 20 0 GGADHM CCn1cnnc1[N-]C(=O)COc1ccc2ccccc2c1Br ZINC000552322941 567577366 /nfs/dbraw/zinc/57/73/66/567577366.db2.gz IIEFGMOFTNSCCO-UHFFFAOYSA-N -1 3 375.226 3.231 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1C(C)C ZINC000530156733 567577344 /nfs/dbraw/zinc/57/73/44/567577344.db2.gz LMGMLVMJQWUYGJ-UHFFFAOYSA-N -1 3 383.432 3.454 20 0 GGADHM C[C@@H]1OCCC[C@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000480046419 567577761 /nfs/dbraw/zinc/57/77/61/567577761.db2.gz QPQBVRLCWUKGIB-TVQRCGJNSA-N -1 3 382.233 3.154 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccc(C)o1 ZINC000480066539 567578550 /nfs/dbraw/zinc/57/85/50/567578550.db2.gz HLCYXCAZMSBLTI-CYBMUJFWSA-N -1 3 388.283 3.407 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1ccc(C)o1 ZINC000480071459 567579231 /nfs/dbraw/zinc/57/92/31/567579231.db2.gz NMRIJHOPYWYLRN-LLVKDONJSA-N -1 3 394.312 3.468 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000571677091 567580782 /nfs/dbraw/zinc/58/07/82/567580782.db2.gz KAHMUPRRELRBAP-PSLIRLAXSA-N -1 3 386.242 3.389 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCCO1 ZINC000571677682 567580924 /nfs/dbraw/zinc/58/09/24/567580924.db2.gz AGGQKTSYDDDXAP-INIZCTEOSA-N -1 3 393.281 3.178 20 0 GGADHM COc1ccc(CN2C[C@@H](CO)Cc3ccccc32)c(Br)c1[O-] ZINC000644834109 567580996 /nfs/dbraw/zinc/58/09/96/567580996.db2.gz MPWCLAYXEHCCGL-LBPRGKRZSA-N -1 3 378.266 3.335 20 0 GGADHM COc1cc(CNC2(C(=O)[O-])CCC(F)(F)CC2)c(Br)cc1O ZINC000571701253 567581862 /nfs/dbraw/zinc/58/18/62/567581862.db2.gz HQSBYPXYCLSRNN-UHFFFAOYSA-N -1 3 394.212 3.286 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cnn1-c1ccccn1 ZINC000480133779 567581928 /nfs/dbraw/zinc/58/19/28/567581928.db2.gz PBMGXKQJQOKGJX-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000621443862 567585063 /nfs/dbraw/zinc/58/50/63/567585063.db2.gz VQCSNNIEWVOMOJ-UHFFFAOYSA-N -1 3 393.163 3.382 20 0 GGADHM CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000621443862 567585069 /nfs/dbraw/zinc/58/50/69/567585069.db2.gz VQCSNNIEWVOMOJ-UHFFFAOYSA-N -1 3 393.163 3.382 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)cnc2c1Cl ZINC000480203727 567586929 /nfs/dbraw/zinc/58/69/29/567586929.db2.gz RRHKSWFOIIYNOK-UHFFFAOYSA-N -1 3 392.655 3.194 20 0 GGADHM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000595847903 567587030 /nfs/dbraw/zinc/58/70/30/567587030.db2.gz IREHCLQFCUZMOR-YOEHRIQHSA-N -1 3 399.285 3.076 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c(F)c1 ZINC000480201402 567587622 /nfs/dbraw/zinc/58/76/22/567587622.db2.gz ZDGPIELBABDSQF-UHFFFAOYSA-N -1 3 387.816 3.450 20 0 GGADHM CC(C)[C@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000505635759 567588724 /nfs/dbraw/zinc/58/87/24/567588724.db2.gz OLJJTTBCFCNIPZ-RYUDHWBXSA-N -1 3 378.947 3.011 20 0 GGADHM CCCN(C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000571812681 567590663 /nfs/dbraw/zinc/59/06/63/567590663.db2.gz CNXBOSXWDJFFKY-UHFFFAOYSA-N -1 3 398.834 3.038 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1CCC[C@H](O)C1 ZINC000439500362 567590726 /nfs/dbraw/zinc/59/07/26/567590726.db2.gz QLJOSQQBFQLDSQ-KOLCDFICSA-N -1 3 398.688 3.404 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CO1 ZINC000439501561 567590763 /nfs/dbraw/zinc/59/07/63/567590763.db2.gz SZROUVFKVHZGIB-RKDXNWHRSA-N -1 3 384.661 3.278 20 0 GGADHM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(C)C ZINC000644953104 567592519 /nfs/dbraw/zinc/59/25/19/567592519.db2.gz IFYVPGJYSRCRBZ-ZDUSSCGKSA-N -1 3 381.325 3.049 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000571830511 567593028 /nfs/dbraw/zinc/59/30/28/567593028.db2.gz HQMNZOQVINAHLB-SWLSCSKDSA-N -1 3 389.228 3.335 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(CSC)cc1 ZINC000439552868 567593559 /nfs/dbraw/zinc/59/35/59/567593559.db2.gz RMGSGZUREIGINS-UHFFFAOYSA-N -1 3 378.475 3.365 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC(C)C)c(C)o1 ZINC000571848329 567594322 /nfs/dbraw/zinc/59/43/22/567594322.db2.gz CQCZPVADVBGMKZ-UHFFFAOYSA-N -1 3 386.857 3.189 20 0 GGADHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000530347112 567595065 /nfs/dbraw/zinc/59/50/65/567595065.db2.gz ZDAFANDJFXOFCA-ZCFIWIBFSA-N -1 3 380.779 3.089 20 0 GGADHM Cc1ncc(CNC(=O)Nc2cc(F)c(Br)cc2Cl)c(=O)[n-]1 ZINC000439619212 567596004 /nfs/dbraw/zinc/59/60/04/567596004.db2.gz FNDXKWCIRSSWQD-UHFFFAOYSA-N -1 3 389.612 3.367 20 0 GGADHM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000530374571 567596326 /nfs/dbraw/zinc/59/63/26/567596326.db2.gz NJHWWTMDBVHVSD-SMDDNHRTSA-N -1 3 385.532 3.160 20 0 GGADHM O=C(CCCC1CCCC1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505785081 567596830 /nfs/dbraw/zinc/59/68/30/567596830.db2.gz RDPNYTWQKCCXID-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(SC(C)C)cc2)ccc1F ZINC000552601500 567598964 /nfs/dbraw/zinc/59/89/64/567598964.db2.gz YILYMTGEXXAKTA-UHFFFAOYSA-N -1 3 382.482 3.487 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CCSc2ccc(C)cc2)ccc1F ZINC000552602859 567599166 /nfs/dbraw/zinc/59/91/66/567599166.db2.gz WECIESVBWAWYKZ-UHFFFAOYSA-N -1 3 382.482 3.163 20 0 GGADHM CSCC[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596020308 567599265 /nfs/dbraw/zinc/59/92/65/567599265.db2.gz IDADBGXFMANGJH-LLVKDONJSA-N -1 3 399.681 3.241 20 0 GGADHM C[C@H](C(=O)[O-])C1(NCc2cc(Cl)ccc2I)CC1 ZINC000596020701 567599446 /nfs/dbraw/zinc/59/94/46/567599446.db2.gz JHYYOVCXVAOFME-MRVPVSSYSA-N -1 3 379.625 3.288 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000480383851 567600038 /nfs/dbraw/zinc/60/00/38/567600038.db2.gz CQHNYUVZQFNWFI-HNNXBMFYSA-N -1 3 382.888 3.280 20 0 GGADHM COCCOc1cc(OC)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000530419327 567600272 /nfs/dbraw/zinc/60/02/72/567600272.db2.gz TZHCKDAZVQDYLI-UHFFFAOYSA-N -1 3 396.237 3.441 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480407685 567601191 /nfs/dbraw/zinc/60/11/91/567601191.db2.gz IEWUAJZMLDNBJY-SNVBAGLBSA-N -1 3 383.844 3.077 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)s1 ZINC000530426263 567601278 /nfs/dbraw/zinc/60/12/78/567601278.db2.gz QFOWDRNLABVUIF-UHFFFAOYSA-N -1 3 376.507 3.105 20 0 GGADHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000480411638 567602128 /nfs/dbraw/zinc/60/21/28/567602128.db2.gz CSJKJMMIZCZXBB-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530438511 567603245 /nfs/dbraw/zinc/60/32/45/567603245.db2.gz NPJVDZIVZPYQRM-LLVKDONJSA-N -1 3 394.251 3.153 20 0 GGADHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000480423145 567603366 /nfs/dbraw/zinc/60/33/66/567603366.db2.gz FHKGVIXTTBOUBJ-UHFFFAOYSA-N -1 3 382.345 3.384 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(Br)c2)c1 ZINC000645094284 567603764 /nfs/dbraw/zinc/60/37/64/567603764.db2.gz GDJVHAVCHHSYHR-JTQLQIEISA-N -1 3 390.278 3.405 20 0 GGADHM COC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000645089361 567604505 /nfs/dbraw/zinc/60/45/05/567604505.db2.gz FMEAVEXFLAVODU-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000530474210 567604634 /nfs/dbraw/zinc/60/46/34/567604634.db2.gz CIGQMIYJDWWKSI-VHSXEESVSA-N -1 3 394.244 3.344 20 0 GGADHM CSc1cc(C[N-]S(=O)(=O)c2sccc2Br)ccn1 ZINC000552825098 567611971 /nfs/dbraw/zinc/61/19/71/567611971.db2.gz YJVIEALGZXRQSC-UHFFFAOYSA-N -1 3 379.326 3.106 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000645098371 567605266 /nfs/dbraw/zinc/60/52/66/567605266.db2.gz SLIWBXWXMSJVTI-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)C1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000645099911 567605465 /nfs/dbraw/zinc/60/54/65/567605465.db2.gz RXCLMNLKESBXLJ-LBPRGKRZSA-N -1 3 383.407 3.312 20 0 GGADHM O=S(=O)([N-]CCCCn1cc(Br)cn1)c1ccc(Cl)s1 ZINC000480447367 567605699 /nfs/dbraw/zinc/60/56/99/567605699.db2.gz KCMSQPNIEFSUIO-UHFFFAOYSA-N -1 3 398.735 3.119 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480451886 567605976 /nfs/dbraw/zinc/60/59/76/567605976.db2.gz XYKRKKLGKOEYSO-UHFFFAOYSA-N -1 3 384.242 3.090 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])C1(S(=O)(=O)c2ccccc2)CC1 ZINC000596083485 567606308 /nfs/dbraw/zinc/60/63/08/567606308.db2.gz IVMNYWGLFJVHNT-UHFFFAOYSA-N -1 3 396.262 3.100 20 0 GGADHM Cc1csc(-c2ccc(NC(=O)C[N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000506062781 567609340 /nfs/dbraw/zinc/60/93/40/567609340.db2.gz DCTAMIDDJIJCIX-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1cccc(Cl)c1Br ZINC000530534148 567610036 /nfs/dbraw/zinc/61/00/36/567610036.db2.gz BWTWYAQEGQXNHS-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM O=C(COc1ccc(Cl)c(F)c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000506113784 567610604 /nfs/dbraw/zinc/61/06/04/567610604.db2.gz UUSZAFPIQRGYOZ-UHFFFAOYSA-N -1 3 398.619 3.329 20 0 GGADHM COc1cccc2c1[C@H](C(=O)N=c1cc3ccc(Br)cn3[n-]1)CC2 ZINC000506112460 567610684 /nfs/dbraw/zinc/61/06/84/567610684.db2.gz MDCYCDPMQJXLPI-CQSZACIVSA-N -1 3 386.249 3.196 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc2c(c1)CCCC2=O ZINC000506114525 567610885 /nfs/dbraw/zinc/61/08/85/567610885.db2.gz ZRTZRUZIMAXURF-UHFFFAOYSA-N -1 3 384.233 3.290 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc([O-])c(Br)c1 ZINC000552829222 567612383 /nfs/dbraw/zinc/61/23/83/567612383.db2.gz HIXYPGIFYOUMSU-HNNXBMFYSA-N -1 3 380.282 3.301 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2cccc(Cl)c2)CC1)c1cccs1 ZINC000459306243 567613402 /nfs/dbraw/zinc/61/34/02/567613402.db2.gz IKTLDORQQHFPTM-UHFFFAOYSA-N -1 3 384.954 3.387 20 0 GGADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCCOC1 ZINC000552833164 567613755 /nfs/dbraw/zinc/61/37/55/567613755.db2.gz FZFRMXWNHHQTAN-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM CN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@@H]1CCCOC1 ZINC000552833164 567613759 /nfs/dbraw/zinc/61/37/59/567613759.db2.gz FZFRMXWNHHQTAN-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM CCCCCc1n[n-]c(=NC(=O)N(CCN(C)C)Cc2ccsc2)s1 ZINC000459310730 567614822 /nfs/dbraw/zinc/61/48/22/567614822.db2.gz XDMAOTIGSORNGP-UHFFFAOYSA-N -1 3 381.571 3.350 20 0 GGADHM C[C@@H]1CN(C[C@H]2CCCN2Cc2cccc([O-])c2Br)C[C@@H](C)O1 ZINC000459320134 567614942 /nfs/dbraw/zinc/61/49/42/567614942.db2.gz FAJRBSDCLGIIFC-IIAWOOMASA-N -1 3 383.330 3.228 20 0 GGADHM CCOc1cc(CN2CCN(C(=O)c3ccsc3)CC2)cc(Cl)c1[O-] ZINC000459329795 567615173 /nfs/dbraw/zinc/61/51/73/567615173.db2.gz QQIIBOISPRSWLU-UHFFFAOYSA-N -1 3 380.897 3.464 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)Oc1ccccc1 ZINC000506219164 567615537 /nfs/dbraw/zinc/61/55/37/567615537.db2.gz XTRGYUAXTZTXRQ-LLVKDONJSA-N -1 3 388.258 3.334 20 0 GGADHM C[C@@](CO)(CNC(=O)Cc1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000506219236 567616213 /nfs/dbraw/zinc/61/62/13/567616213.db2.gz KWHYOUYCYWDAPM-IBGZPJMESA-N -1 3 392.293 3.055 20 0 GGADHM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc([O-])c1Br ZINC000459353534 567616451 /nfs/dbraw/zinc/61/64/51/567616451.db2.gz WSICRDMXBKTIII-UHFFFAOYSA-N -1 3 384.295 3.190 20 0 GGADHM O=C(c1cccc(NCc2cccc([O-])c2Br)c1)N1CCOCC1 ZINC000459342107 567617350 /nfs/dbraw/zinc/61/73/50/567617350.db2.gz DGYJTMJXWIXUTQ-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc2c1OCCO2 ZINC000530678581 567617740 /nfs/dbraw/zinc/61/77/40/567617740.db2.gz LQWQZTCABIQMTK-UHFFFAOYSA-N -1 3 380.194 3.187 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000530669422 567618019 /nfs/dbraw/zinc/61/80/19/567618019.db2.gz ZTHFKAMCJUVZPH-LSDHHAIUSA-N -1 3 398.326 3.136 20 0 GGADHM Cc1nc([N-]C(=O)COc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 ZINC000440138518 567618323 /nfs/dbraw/zinc/61/83/23/567618323.db2.gz UHJPWKOPWDMISP-UHFFFAOYSA-N -1 3 377.231 3.322 20 0 GGADHM COc1c(Cl)cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC000480647869 567618850 /nfs/dbraw/zinc/61/88/50/567618850.db2.gz OZKSLCVHJNALOT-UHFFFAOYSA-N -1 3 384.145 3.461 20 0 GGADHM COc1c(Cl)cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1Cl ZINC000480647869 567618853 /nfs/dbraw/zinc/61/88/53/567618853.db2.gz OZKSLCVHJNALOT-UHFFFAOYSA-N -1 3 384.145 3.461 20 0 GGADHM COc1c(Cl)cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000480647869 567618857 /nfs/dbraw/zinc/61/88/57/567618857.db2.gz OZKSLCVHJNALOT-UHFFFAOYSA-N -1 3 384.145 3.461 20 0 GGADHM [O-]c1cccc(CNCc2ccccc2CN2CCOCC2)c1Br ZINC000459380050 567620486 /nfs/dbraw/zinc/62/04/86/567620486.db2.gz PZCSUOXPRGCBGQ-UHFFFAOYSA-N -1 3 391.309 3.277 20 0 GGADHM [O-]c1cccc(CNCc2cccc(CN3CCOCC3)c2)c1Br ZINC000459387814 567620541 /nfs/dbraw/zinc/62/05/41/567620541.db2.gz KFRGSFVCIVYGJZ-UHFFFAOYSA-N -1 3 391.309 3.277 20 0 GGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC2(CCCC2)O1 ZINC000645374130 567620772 /nfs/dbraw/zinc/62/07/72/567620772.db2.gz YTRLXZXZXBVPNE-LBPRGKRZSA-N -1 3 383.286 3.398 20 0 GGADHM CCN(Cc1ccccc1)C(=O)CNCc1cccc([O-])c1Br ZINC000459379927 567620887 /nfs/dbraw/zinc/62/08/87/567620887.db2.gz AFOOEYIIDYVGQI-UHFFFAOYSA-N -1 3 377.282 3.293 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000480694727 567620835 /nfs/dbraw/zinc/62/08/35/567620835.db2.gz PRYJBGYCLZCTMB-CYBMUJFWSA-N -1 3 384.860 3.045 20 0 GGADHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000480692403 567621037 /nfs/dbraw/zinc/62/10/37/567621037.db2.gz YWAJEAZHEQMFJZ-MRXNPFEDSA-N -1 3 375.918 3.204 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC(C)(CC(C)C)CC2)s1 ZINC000572213238 567621477 /nfs/dbraw/zinc/62/14/77/567621477.db2.gz NPOLSPKXXCSEOH-UHFFFAOYSA-N -1 3 387.571 3.014 20 0 GGADHM [O-]c1cccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1Br ZINC000459406385 567621686 /nfs/dbraw/zinc/62/16/86/567621686.db2.gz CYDQHUFONWZBBN-CJNGLKHVSA-N -1 3 386.236 3.482 20 0 GGADHM C[C@H](NCc1cccc([O-])c1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000459399365 567621945 /nfs/dbraw/zinc/62/19/45/567621945.db2.gz LOWDNXYTVBHRLW-NSHDSACASA-N -1 3 384.295 3.409 20 0 GGADHM [O-]c1cccc(CNCc2ccnc(OC3CCOCC3)c2)c1Br ZINC000459412473 567621995 /nfs/dbraw/zinc/62/19/95/567621995.db2.gz KXAQBJJNMMGTAF-UHFFFAOYSA-N -1 3 393.281 3.397 20 0 GGADHM COc1ccc(CNCc2cccc([O-])c2Br)c(OC)c1OC ZINC000459398391 567622037 /nfs/dbraw/zinc/62/20/37/567622037.db2.gz YACLQZJVHKYZHU-UHFFFAOYSA-N -1 3 382.254 3.470 20 0 GGADHM O=c1cc(CN[C@H](CCO)c2ccccc2Br)nc(C2CC2)[n-]1 ZINC000459400954 567622289 /nfs/dbraw/zinc/62/22/89/567622289.db2.gz CVBJYXHMYCXOBV-OAHLLOKOSA-N -1 3 378.270 3.035 20 0 GGADHM O=C(CNCc1cccc([O-])c1Br)N1CCCc2ccccc21 ZINC000459398781 567622539 /nfs/dbraw/zinc/62/25/39/567622539.db2.gz UJEJXLLIHWWGTP-UHFFFAOYSA-N -1 3 375.266 3.224 20 0 GGADHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000480705511 567622884 /nfs/dbraw/zinc/62/28/84/567622884.db2.gz HLQAKDOVIUPAGM-INIZCTEOSA-N -1 3 375.918 3.204 20 0 GGADHM CC(C)[C@H](C(=O)Nc1cc(Br)ccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000530777712 567623225 /nfs/dbraw/zinc/62/32/25/567623225.db2.gz OWCYBTCKECJYTP-BFQNTYOBSA-N -1 3 385.302 3.227 20 0 GGADHM CC1(C)CN(C2(CN=c3nc(C(F)(F)F)[n-]s3)CCCCC2)CCO1 ZINC000553057771 567623217 /nfs/dbraw/zinc/62/32/17/567623217.db2.gz TUPFIQWKRXOSFE-UHFFFAOYSA-N -1 3 378.464 3.204 20 0 GGADHM CC1(C)CN(C2(CN=c3[n-]c(C(F)(F)F)ns3)CCCCC2)CCO1 ZINC000553057771 567623219 /nfs/dbraw/zinc/62/32/19/567623219.db2.gz TUPFIQWKRXOSFE-UHFFFAOYSA-N -1 3 378.464 3.204 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)c(F)c1 ZINC000480713500 567623789 /nfs/dbraw/zinc/62/37/89/567623789.db2.gz WCQCDSIRVCMAAM-NSHDSACASA-N -1 3 380.466 3.354 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)s1 ZINC000480717966 567623842 /nfs/dbraw/zinc/62/38/42/567623842.db2.gz NLJPKCQUFZWIBF-SSDOTTSWSA-N -1 3 394.291 3.096 20 0 GGADHM COc1ccccc1N1CC[C@@H](NCc2cccc([O-])c2Br)C1=O ZINC000459431380 567624364 /nfs/dbraw/zinc/62/43/64/567624364.db2.gz FEJBWQCAXBGPQE-CYBMUJFWSA-N -1 3 391.265 3.058 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(N2CCC(O)CC2)cc1 ZINC000530811516 567624991 /nfs/dbraw/zinc/62/49/91/567624991.db2.gz VGXVODLLXUXPQL-UHFFFAOYSA-N -1 3 391.265 3.368 20 0 GGADHM CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1cccc([O-])c1Br ZINC000459457658 567625132 /nfs/dbraw/zinc/62/51/32/567625132.db2.gz XUBBJVPDYIHSLS-AWEZNQCLSA-N -1 3 398.322 3.497 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC=C(C)C)c(Br)c1 ZINC000480731058 567625156 /nfs/dbraw/zinc/62/51/56/567625156.db2.gz ASOJOUQWBDOLCN-UHFFFAOYSA-N -1 3 390.299 3.260 20 0 GGADHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440389086 567625270 /nfs/dbraw/zinc/62/52/70/567625270.db2.gz XUAJGMMJOQTDCZ-UHFFFAOYSA-N -1 3 377.897 3.365 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c(F)cc1F ZINC000440390721 567625336 /nfs/dbraw/zinc/62/53/36/567625336.db2.gz ZQXQYKMTFPYLDI-OAHLLOKOSA-N -1 3 386.489 3.450 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000553091225 567627265 /nfs/dbraw/zinc/62/72/65/567627265.db2.gz OVWXZRTVCDHAQV-MRXNPFEDSA-N -1 3 385.222 3.376 20 0 GGADHM COCCN(Cc1cc(Br)cs1)C(=O)c1cc(F)c[n-]c1=O ZINC000621972691 567627547 /nfs/dbraw/zinc/62/75/47/567627547.db2.gz NQADBNNUZGDYGD-UHFFFAOYSA-N -1 3 389.246 3.039 20 0 GGADHM CS(=O)(=O)C[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459479371 567627640 /nfs/dbraw/zinc/62/76/40/567627640.db2.gz LWLLJPJDURPUOD-AWEZNQCLSA-N -1 3 384.295 3.030 20 0 GGADHM C[C@H](c1nccs1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459478876 567627806 /nfs/dbraw/zinc/62/78/06/567627806.db2.gz LGBQQQGRHPVSIZ-GFCCVEGCSA-N -1 3 382.327 3.490 20 0 GGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)ccc2Br)nc1C ZINC000553126905 567628114 /nfs/dbraw/zinc/62/81/14/567628114.db2.gz WZHVWWKXRWJNPT-UHFFFAOYSA-N -1 3 397.294 3.142 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000572278961 567628564 /nfs/dbraw/zinc/62/85/64/567628564.db2.gz LEWADUMUKJZCJY-UHFFFAOYSA-N -1 3 377.846 3.074 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)Cn1cccn1 ZINC000645474420 567629308 /nfs/dbraw/zinc/62/93/08/567629308.db2.gz AQNFBKQGEBWVHB-SNVBAGLBSA-N -1 3 397.806 3.050 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)cs1 ZINC000645478541 567629434 /nfs/dbraw/zinc/62/94/34/567629434.db2.gz JWDLTTMBRKJHIM-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645478223 567629611 /nfs/dbraw/zinc/62/96/11/567629611.db2.gz KKSIRZZMSACGPK-VIFPVBQESA-N -1 3 378.347 3.288 20 0 GGADHM CCOc1cc(CNc2cccc(S(=O)(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000459481636 567629623 /nfs/dbraw/zinc/62/96/23/567629623.db2.gz PKGFHNIYVPMMQF-UHFFFAOYSA-N -1 3 384.885 3.307 20 0 GGADHM CCS(=O)(=O)c1ccc(CNCc2cccc([O-])c2Br)s1 ZINC000459506357 567630660 /nfs/dbraw/zinc/63/06/60/567630660.db2.gz QAJUKUIPSHUMHK-UHFFFAOYSA-N -1 3 390.324 3.300 20 0 GGADHM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645481762 567630610 /nfs/dbraw/zinc/63/06/10/567630610.db2.gz UQDRAMABILKOSP-UHFFFAOYSA-N -1 3 375.796 3.334 20 0 GGADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1c(F)cccc1Br ZINC000530912925 567630905 /nfs/dbraw/zinc/63/09/05/567630905.db2.gz JLWBQRDXJYZPAH-UHFFFAOYSA-N -1 3 375.201 3.480 20 0 GGADHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccc1 ZINC000480783193 567631193 /nfs/dbraw/zinc/63/11/93/567631193.db2.gz BONABUWAZNZURV-FZKQIMNGSA-N -1 3 385.888 3.387 20 0 GGADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000480782844 567631529 /nfs/dbraw/zinc/63/15/29/567631529.db2.gz YLNXZBZTKAYIOO-UGSOOPFHSA-N -1 3 385.888 3.387 20 0 GGADHM C[C@H](NCc1cccc([O-])c1Br)C(=O)N1Cc2ccccc2C1 ZINC000459520225 567632133 /nfs/dbraw/zinc/63/21/33/567632133.db2.gz GBDRFXHYQUYPCJ-LBPRGKRZSA-N -1 3 375.266 3.175 20 0 GGADHM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000506583553 567632495 /nfs/dbraw/zinc/63/24/95/567632495.db2.gz DPJZTQIIJCVBDF-UHFFFAOYSA-N -1 3 378.881 3.217 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000665646578 567633058 /nfs/dbraw/zinc/63/30/58/567633058.db2.gz YEOKJKKWDANXJL-UKRRQHHQSA-N -1 3 398.937 3.132 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cn1 ZINC000506599656 567633019 /nfs/dbraw/zinc/63/30/19/567633019.db2.gz HAKPKAZSMWWYDT-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM CCSc1cccc([N-]S(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)c1 ZINC000506599362 567633152 /nfs/dbraw/zinc/63/31/52/567633152.db2.gz AHUYFURVNGIAQH-QGZVFWFLSA-N -1 3 379.503 3.497 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)n1 ZINC000622040443 567633256 /nfs/dbraw/zinc/63/32/56/567633256.db2.gz VLXZYCGNSLFPPZ-UHFFFAOYSA-N -1 3 376.507 3.171 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000622042019 567633305 /nfs/dbraw/zinc/63/33/05/567633305.db2.gz PILIOFZIXOMTBK-VIFPVBQESA-N -1 3 377.800 3.079 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000622041640 567633313 /nfs/dbraw/zinc/63/33/13/567633313.db2.gz GHAUEWWHYRJJDV-SECBINFHSA-N -1 3 379.791 3.497 20 0 GGADHM CC(=O)NCCN(Cc1ccsc1)Cc1cccc([O-])c1Br ZINC000459539483 567633862 /nfs/dbraw/zinc/63/38/62/567633862.db2.gz JYXKCNZLEBRKIJ-UHFFFAOYSA-N -1 3 383.311 3.355 20 0 GGADHM CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cccc([O-])c2Br)C1 ZINC000459537605 567634514 /nfs/dbraw/zinc/63/45/14/567634514.db2.gz ROEIFFSYCGBWPB-DGCLKSJQSA-N -1 3 395.219 3.186 20 0 GGADHM COc1ccc(I)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000506650282 567635397 /nfs/dbraw/zinc/63/53/97/567635397.db2.gz YFEQMTMKMMATHB-UHFFFAOYSA-N -1 3 395.243 3.162 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1ccc(Br)c(F)c1 ZINC000480854262 567636190 /nfs/dbraw/zinc/63/61/90/567636190.db2.gz ODCVKEKOYNTPLE-UHFFFAOYSA-N -1 3 391.287 3.401 20 0 GGADHM CCOc1cc(CN2C[C@@H](C)[C@](C)(C(=O)OC)C2)cc(Br)c1[O-] ZINC000459543532 567636447 /nfs/dbraw/zinc/63/64/47/567636447.db2.gz MNHOITQGEASPQN-PIGZYNQJSA-N -1 3 386.286 3.184 20 0 GGADHM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000506663947 567636729 /nfs/dbraw/zinc/63/67/29/567636729.db2.gz TXAUMTJPZAWMGO-XMMPIXPASA-N -1 3 384.523 3.101 20 0 GGADHM CCOc1ccc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1F ZINC000645522198 567636839 /nfs/dbraw/zinc/63/68/39/567636839.db2.gz SOKVBCXVIDNDLS-UHFFFAOYSA-N -1 3 378.347 3.117 20 0 GGADHM COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(Br)ccc1[O-])CO2 ZINC000531015053 567637389 /nfs/dbraw/zinc/63/73/89/567637389.db2.gz KTXRJVQRUXCGJZ-NSHDSACASA-N -1 3 378.222 3.353 20 0 GGADHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1cc(Br)ccc1[O-] ZINC000531015358 567637510 /nfs/dbraw/zinc/63/75/10/567637510.db2.gz YMFDIFCBFGQYPL-UHFFFAOYSA-N -1 3 381.201 3.052 20 0 GGADHM COc1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)ccc1[O-] ZINC000506660019 567637494 /nfs/dbraw/zinc/63/74/94/567637494.db2.gz DDHMVSIKIRBUGT-LBPRGKRZSA-N -1 3 382.185 3.166 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c(Br)c1 ZINC000480871106 567637525 /nfs/dbraw/zinc/63/75/25/567637525.db2.gz GVCWQKPNLYUVHZ-ZETCQYMHSA-N -1 3 376.194 3.077 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000480866349 567637620 /nfs/dbraw/zinc/63/76/20/567637620.db2.gz QSTXWKJBCXBJCJ-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1cncc(Br)c1 ZINC000480870852 567638044 /nfs/dbraw/zinc/63/80/44/567638044.db2.gz YYMKHPUUAMEEDF-CYBMUJFWSA-N -1 3 389.315 3.004 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3cnccn3)nc(=O)c2c1C ZINC000531066478 567638556 /nfs/dbraw/zinc/63/85/56/567638556.db2.gz OCQPXQXBCCSYMI-SECBINFHSA-N -1 3 376.463 3.113 20 0 GGADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)CCc3cccc(Cl)c3)cc2N1 ZINC000506687915 567638887 /nfs/dbraw/zinc/63/88/87/567638887.db2.gz DROMKVFMICESGJ-UHFFFAOYSA-N -1 3 382.844 3.348 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)cc(Cl)c23)cn1C ZINC000480873657 567639336 /nfs/dbraw/zinc/63/93/36/567639336.db2.gz DDEDODFJIVCOGA-UHFFFAOYSA-N -1 3 387.292 3.038 20 0 GGADHM CSc1nc2nc(C)c(CC(=O)Nc3ccc([O-])cc3Cl)c(C)n2n1 ZINC000622133655 567639987 /nfs/dbraw/zinc/63/99/87/567639987.db2.gz FXJPPGADUOVGPR-UHFFFAOYSA-N -1 3 377.857 3.003 20 0 GGADHM COc1cc(Br)c([N-]S(=O)(=O)c2ccsc2)cc1OC ZINC000506722025 567640024 /nfs/dbraw/zinc/64/00/24/567640024.db2.gz MFYXCJHKYKSXRY-UHFFFAOYSA-N -1 3 378.269 3.329 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c(F)cc1F ZINC000506719299 567640371 /nfs/dbraw/zinc/64/03/71/567640371.db2.gz MHBBPHPRUBRRJV-UHFFFAOYSA-N -1 3 389.807 3.389 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1ccc(Br)cn1 ZINC000480896986 567640571 /nfs/dbraw/zinc/64/05/71/567640571.db2.gz KJJDTJGNIVYKCD-CYBMUJFWSA-N -1 3 389.315 3.004 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440706839 567640807 /nfs/dbraw/zinc/64/08/07/567640807.db2.gz VNPUZAUWRAXCLB-SMDDNHRTSA-N -1 3 380.432 3.084 20 0 GGADHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645556154 567641161 /nfs/dbraw/zinc/64/11/61/567641161.db2.gz HHLDSOPSOYILOF-UHFFFAOYSA-N -1 3 375.796 3.068 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H]2CCO[C@H]21 ZINC000645561473 567641382 /nfs/dbraw/zinc/64/13/82/567641382.db2.gz RAPIHKVZGUWVLH-OASPWFOLSA-N -1 3 399.818 3.330 20 0 GGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n1 ZINC000645554159 567641397 /nfs/dbraw/zinc/64/13/97/567641397.db2.gz XOECBXIRWULLKJ-UHFFFAOYSA-N -1 3 397.806 3.495 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(N2CCCNC2=O)c1 ZINC000531110320 567641723 /nfs/dbraw/zinc/64/17/23/567641723.db2.gz DSEOAQFWQOUILA-UHFFFAOYSA-N -1 3 390.237 3.327 20 0 GGADHM CC(C)c1ccc([C@H](N)C[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000440739133 567642043 /nfs/dbraw/zinc/64/20/43/567642043.db2.gz AJKZNSDJVUKLLY-CYBMUJFWSA-N -1 3 387.299 3.144 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1nc(C)cs1 ZINC000645565533 567642512 /nfs/dbraw/zinc/64/25/12/567642512.db2.gz RGCYBZAOXKAJEO-ZDUSSCGKSA-N -1 3 379.429 3.469 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000480918643 567642538 /nfs/dbraw/zinc/64/25/38/567642538.db2.gz ACNGMFMRFYUXPU-LLVKDONJSA-N -1 3 387.288 3.440 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000553320401 567643188 /nfs/dbraw/zinc/64/31/88/567643188.db2.gz CUINUNWXIULWNU-UHFFFAOYSA-N -1 3 383.205 3.025 20 0 GGADHM Cc1[nH]c2ccc(Br)cc2c1CC(=O)N=c1cc2ccccn2[n-]1 ZINC000553316309 567643340 /nfs/dbraw/zinc/64/33/40/567643340.db2.gz MBZNYWSMQNWAGD-UHFFFAOYSA-N -1 3 383.249 3.490 20 0 GGADHM CCCOc1ccc(C(=O)N=c2[nH][n-]cc2Br)cc1OCCC ZINC000572488689 567643752 /nfs/dbraw/zinc/64/37/52/567643752.db2.gz QXJNCHCDWWDTFU-UHFFFAOYSA-N -1 3 382.258 3.424 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3ncccc3C(F)(F)F)CCC2)n1 ZINC000645573666 567644270 /nfs/dbraw/zinc/64/42/70/567644270.db2.gz XADSUMUORHPTIL-UHFFFAOYSA-N -1 3 377.413 3.223 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000553331240 567644430 /nfs/dbraw/zinc/64/44/30/567644430.db2.gz AZFXUJAIRWLOLN-ZBFHGGJFSA-N -1 3 378.519 3.026 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000506798559 567644464 /nfs/dbraw/zinc/64/44/64/567644464.db2.gz SLICQFNCLGPJMP-UHFFFAOYSA-N -1 3 396.774 3.454 20 0 GGADHM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc3cc(Cl)ccc3s1)C2 ZINC000531194410 567644854 /nfs/dbraw/zinc/64/48/54/567644854.db2.gz BFLUYFNHKNOQQO-AWEZNQCLSA-N -1 3 393.921 3.489 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000480952428 567645048 /nfs/dbraw/zinc/64/50/48/567645048.db2.gz LDDTXTPJKYVVCB-LLVKDONJSA-N -1 3 399.299 3.203 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC000480958528 567645129 /nfs/dbraw/zinc/64/51/29/567645129.db2.gz UOVZQYNSONRQAO-CQSZACIVSA-N -1 3 383.466 3.338 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645603343 567645169 /nfs/dbraw/zinc/64/51/69/567645169.db2.gz XLLMFBVMWNZGNC-VHSXEESVSA-N -1 3 387.807 3.332 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1nc2c(ccc(F)c2F)s1 ZINC000480949699 567645342 /nfs/dbraw/zinc/64/53/42/567645342.db2.gz FJRYNESISRPVPF-UHFFFAOYSA-N -1 3 378.286 3.033 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1nc2c(ccc(F)c2F)s1 ZINC000480949699 567645344 /nfs/dbraw/zinc/64/53/44/567645344.db2.gz FJRYNESISRPVPF-UHFFFAOYSA-N -1 3 378.286 3.033 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1nc2c(ccc(F)c2F)s1 ZINC000480949699 567645351 /nfs/dbraw/zinc/64/53/51/567645351.db2.gz FJRYNESISRPVPF-UHFFFAOYSA-N -1 3 378.286 3.033 20 0 GGADHM Cc1cnccc1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000506848045 567645490 /nfs/dbraw/zinc/64/54/90/567645490.db2.gz FBNILSUJOUJJHO-UHFFFAOYSA-N -1 3 379.638 3.168 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c(Cl)c1 ZINC000506829684 567645627 /nfs/dbraw/zinc/64/56/27/567645627.db2.gz DGGATXTTWJAQOE-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]CC1(OC)CCC(C)CC1 ZINC000480957212 567645750 /nfs/dbraw/zinc/64/57/50/567645750.db2.gz UCOIPMCZWXPYAJ-UHFFFAOYSA-N -1 3 375.918 3.363 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Cl)ccc1OC(F)(F)F ZINC000645606340 567646604 /nfs/dbraw/zinc/64/66/04/567646604.db2.gz RFDPNSKTORPUKY-UTUOFQBUSA-N -1 3 399.818 3.475 20 0 GGADHM COC(=O)c1ccc(CNC[C@H](CC(=O)[O-])CC(C)C)c(Br)c1 ZINC000596655775 567647365 /nfs/dbraw/zinc/64/73/65/567647365.db2.gz AEPAPWBOIWNHLG-LBPRGKRZSA-N -1 3 386.286 3.462 20 0 GGADHM COc1cc(Cl)c(F)c(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000622292212 567647412 /nfs/dbraw/zinc/64/74/12/567647412.db2.gz MMZGYNCWZWZNKL-UHFFFAOYSA-N -1 3 390.795 3.251 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2ccc(F)cc21)c1ccc(Br)cn1 ZINC000480980180 567647735 /nfs/dbraw/zinc/64/77/35/567647735.db2.gz MVHAMKKBVRUOSG-CQSZACIVSA-N -1 3 385.258 3.339 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(C(F)(F)F)cn1 ZINC000480976120 567647833 /nfs/dbraw/zinc/64/78/33/567647833.db2.gz DPDWHFRYCVVUIC-JOYOIKCWSA-N -1 3 378.322 3.213 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1nccn1-c1ccccc1 ZINC000572551450 567647796 /nfs/dbraw/zinc/64/77/96/567647796.db2.gz YANXHPGDKCAUEM-NSHDSACASA-N -1 3 396.266 3.267 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000645627882 567648752 /nfs/dbraw/zinc/64/87/52/567648752.db2.gz LPHJLCVHFZLZNW-SNVBAGLBSA-N -1 3 387.807 3.475 20 0 GGADHM C[C@H](NCc1ncccc1[O-])c1ccc(Br)cc1OCCCO ZINC000572571919 567649113 /nfs/dbraw/zinc/64/91/13/567649113.db2.gz BIFSPYDBECRFHG-LBPRGKRZSA-N -1 3 381.270 3.162 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000531253904 567649289 /nfs/dbraw/zinc/64/92/89/567649289.db2.gz WAOZZKMYJRYTRF-CYBMUJFWSA-N -1 3 393.212 3.285 20 0 GGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000480989476 567649375 /nfs/dbraw/zinc/64/93/75/567649375.db2.gz YXKASPKTJRCKML-CYBMUJFWSA-N -1 3 385.580 3.333 20 0 GGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000645637473 567649365 /nfs/dbraw/zinc/64/93/65/567649365.db2.gz RISFSUVIURWBSD-UWVGGRQHSA-N -1 3 387.807 3.332 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645639935 567649428 /nfs/dbraw/zinc/64/94/28/567649428.db2.gz OROJQBBMOYQWGD-VIFPVBQESA-N -1 3 389.823 3.314 20 0 GGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645638762 567649503 /nfs/dbraw/zinc/64/95/03/567649503.db2.gz TYQRUIBCGNJCJE-UHFFFAOYSA-N -1 3 389.823 3.316 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)N1Cc2ccccc2C1 ZINC000480991471 567649542 /nfs/dbraw/zinc/64/95/42/567649542.db2.gz SWTKHGJJIBLQHK-NSHDSACASA-N -1 3 399.299 3.203 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@H](CO)CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645630879 567650125 /nfs/dbraw/zinc/65/01/25/567650125.db2.gz SHHRVFJCDMSXTI-HOMQSWHASA-N -1 3 387.807 3.068 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N(CCO)Cc1cccc(Br)c1 ZINC000506979311 567651392 /nfs/dbraw/zinc/65/13/92/567651392.db2.gz MVRPWRKPEMYIEB-UHFFFAOYSA-N -1 3 384.657 3.443 20 0 GGADHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc(Br)cc1[O-])C2 ZINC000622560457 567651834 /nfs/dbraw/zinc/65/18/34/567651834.db2.gz NBANECHIXZCNIN-LLVKDONJSA-N -1 3 378.222 3.353 20 0 GGADHM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C2 ZINC000622560460 567651986 /nfs/dbraw/zinc/65/19/86/567651986.db2.gz NBANECHIXZCNIN-NSHDSACASA-N -1 3 378.222 3.353 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)NCCCc1ccc(Cl)cc1Cl ZINC000531318923 567652367 /nfs/dbraw/zinc/65/23/67/567652367.db2.gz LDYRAZUMGZSZIC-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccccc2Br)s1 ZINC000553427712 567653730 /nfs/dbraw/zinc/65/37/30/567653730.db2.gz BKBUXFIGWBELKX-UHFFFAOYSA-N -1 3 390.328 3.044 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1OC(F)(F)F ZINC000645660384 567653972 /nfs/dbraw/zinc/65/39/72/567653972.db2.gz QSAMWRLBXYHJNS-MWLCHTKSSA-N -1 3 387.807 3.068 20 0 GGADHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)O1 ZINC000507016216 567654391 /nfs/dbraw/zinc/65/43/91/567654391.db2.gz WFMBCYGIUIHQOY-RWYTXXIDSA-N -1 3 383.221 3.125 20 0 GGADHM CC[C@H](C)CCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000666118463 567655426 /nfs/dbraw/zinc/65/54/26/567655426.db2.gz AWRFBNNRMOWIMZ-NSHDSACASA-N -1 3 381.420 3.085 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c(C)cc1Br ZINC000481059549 567655561 /nfs/dbraw/zinc/65/55/61/567655561.db2.gz NIQOROYAGQQVBC-UHFFFAOYSA-N -1 3 384.299 3.328 20 0 GGADHM O=S(=O)([N-]CCOC(F)(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC000645676537 567655598 /nfs/dbraw/zinc/65/55/98/567655598.db2.gz VCCMQBGMDYHUEI-UHFFFAOYSA-N -1 3 387.685 3.053 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1ccc(Br)cc1Cl ZINC000481072556 567655894 /nfs/dbraw/zinc/65/58/94/567655894.db2.gz OFEJKQNPPILYFD-LLVKDONJSA-N -1 3 390.690 3.182 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1ccc(Br)cc1Cl ZINC000481072558 567655911 /nfs/dbraw/zinc/65/59/11/567655911.db2.gz OFEJKQNPPILYFD-NSHDSACASA-N -1 3 390.690 3.182 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000531367695 567655995 /nfs/dbraw/zinc/65/59/95/567655995.db2.gz KRXVQDRULFTUPS-GXTWGEPZSA-N -1 3 388.942 3.177 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)OCCc2sccc21 ZINC000572651701 567656368 /nfs/dbraw/zinc/65/63/68/567656368.db2.gz NXGPVQQIWYBODT-MRXNPFEDSA-N -1 3 389.901 3.448 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000572657408 567656507 /nfs/dbraw/zinc/65/65/07/567656507.db2.gz JKKQQXRVFWYCGO-UHFFFAOYSA-N -1 3 384.177 3.133 20 0 GGADHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000531380554 567656706 /nfs/dbraw/zinc/65/67/06/567656706.db2.gz KOURKQCAEOGHFV-NWDGAFQWSA-N -1 3 375.512 3.181 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000645688107 567657131 /nfs/dbraw/zinc/65/71/31/567657131.db2.gz UEYYOHBKSAFEAD-CYBMUJFWSA-N -1 3 394.802 3.420 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]CC2(c3cccc(Br)c3)CCC2)on1 ZINC000531383023 567657304 /nfs/dbraw/zinc/65/73/04/567657304.db2.gz UDBXJVJVIWPJIL-UHFFFAOYSA-N -1 3 399.310 3.287 20 0 GGADHM CN(CCCC[N-]S(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000553498164 567658930 /nfs/dbraw/zinc/65/89/30/567658930.db2.gz JFPZIHGMXVTPNJ-UHFFFAOYSA-N -1 3 398.326 3.039 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)c(Cl)ccc3C)c(C)o1 ZINC000553490793 567659016 /nfs/dbraw/zinc/65/90/16/567659016.db2.gz PPRVEDYWEKHLFJ-UHFFFAOYSA-N -1 3 399.881 3.320 20 0 GGADHM Cc1cccc2cc(S(=O)(=O)[N-][C@@H]3CC[C@@](O)(C(F)(F)F)C3)sc21 ZINC000645721951 567659570 /nfs/dbraw/zinc/65/95/70/567659570.db2.gz CIUVOPFTDDVQCO-RISCZKNCSA-N -1 3 379.425 3.334 20 0 GGADHM Cc1onc(-c2cccc(Br)c2)c1C(=O)[N-]c1nc(C)n(C)n1 ZINC000553507726 567660160 /nfs/dbraw/zinc/66/01/60/567660160.db2.gz AEKGFDURVMUMCW-UHFFFAOYSA-N -1 3 376.214 3.102 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)C1CC1 ZINC000645722646 567660344 /nfs/dbraw/zinc/66/03/44/567660344.db2.gz XJQGYYQEGDKSNO-CQSZACIVSA-N -1 3 396.734 3.337 20 0 GGADHM CC(C)c1cnc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000441333636 567660531 /nfs/dbraw/zinc/66/05/31/567660531.db2.gz UWGMEMCVUXOUBZ-UHFFFAOYSA-N -1 3 391.921 3.127 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)c(Cl)c1Cl ZINC000572712295 567660580 /nfs/dbraw/zinc/66/05/80/567660580.db2.gz NFJLPQOIYWCDAV-IUCAKERBSA-N -1 3 376.265 3.183 20 0 GGADHM CCSc1cccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000441339150 567661042 /nfs/dbraw/zinc/66/10/42/567661042.db2.gz VFKBMEDCAXKHQI-UHFFFAOYSA-N -1 3 386.489 3.145 20 0 GGADHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645742364 567661245 /nfs/dbraw/zinc/66/12/45/567661245.db2.gz IXSSPIJTNJOAQN-VIFPVBQESA-N -1 3 375.796 3.068 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-]Cc1nc(C2CC2)cs1 ZINC000553532937 567662418 /nfs/dbraw/zinc/66/24/18/567662418.db2.gz FHKBRHMYLCGMEB-UHFFFAOYSA-N -1 3 387.324 3.403 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc2cc[nH]c21)c1ccc(Cl)cc1F ZINC000441375781 567662625 /nfs/dbraw/zinc/66/26/25/567662625.db2.gz BTOLCAPOQQABCA-UHFFFAOYSA-N -1 3 381.860 3.029 20 0 GGADHM CC[C@@](C)(C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)OC ZINC000645745940 567663301 /nfs/dbraw/zinc/66/33/01/567663301.db2.gz LBHVKLNJPORUPG-ZDUSSCGKSA-N -1 3 384.723 3.337 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)s2)s1 ZINC000481227172 567663760 /nfs/dbraw/zinc/66/37/60/567663760.db2.gz JRDXZVKBRJLVHY-HTQZYQBOSA-N -1 3 393.353 3.364 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000553548116 567664464 /nfs/dbraw/zinc/66/44/64/567664464.db2.gz WFTRQLOMGOFNGT-UHFFFAOYSA-N -1 3 382.295 3.319 20 0 GGADHM COCc1csc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000622887037 567665093 /nfs/dbraw/zinc/66/50/93/567665093.db2.gz KGYSOEOEVDACHN-UHFFFAOYSA-N -1 3 398.204 3.090 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553551938 567665518 /nfs/dbraw/zinc/66/55/18/567665518.db2.gz ZMOJVUXFFJCWBL-UHFFFAOYSA-N -1 3 387.395 3.455 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000481248718 567665506 /nfs/dbraw/zinc/66/55/06/567665506.db2.gz YSVXRNJSVUCAOT-JSGCOSHPSA-N -1 3 383.466 3.288 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)c1csnn1 ZINC000645762546 567665540 /nfs/dbraw/zinc/66/55/40/567665540.db2.gz LHQPZEMCUQGZGD-SSDOTTSWSA-N -1 3 396.719 3.135 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1csnn1 ZINC000645763012 567665699 /nfs/dbraw/zinc/66/56/99/567665699.db2.gz NPGUBUWELRZHNY-ZCFIWIBFSA-N -1 3 387.792 3.130 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(Br)c(F)c1 ZINC000481245800 567665685 /nfs/dbraw/zinc/66/56/85/567665685.db2.gz IRGRLHFXKVBONH-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(Br)c(F)c1 ZINC000481245800 567665695 /nfs/dbraw/zinc/66/56/95/567665695.db2.gz IRGRLHFXKVBONH-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Br)c(F)c1 ZINC000481245800 567665700 /nfs/dbraw/zinc/66/57/00/567665700.db2.gz IRGRLHFXKVBONH-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM CN(CCC1CCOCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531567446 567665749 /nfs/dbraw/zinc/66/57/49/567665749.db2.gz VREKREGPZCMWDH-UHFFFAOYSA-N -1 3 393.281 3.179 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2c(F)cccc2F)CC1)c1cccs1 ZINC000645769070 567666089 /nfs/dbraw/zinc/66/60/89/567666089.db2.gz KIQMWGMQFRQYPV-UHFFFAOYSA-N -1 3 386.489 3.012 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000481251816 567666176 /nfs/dbraw/zinc/66/61/76/567666176.db2.gz CCVHNVMCJFXCAL-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1csnn1 ZINC000645763004 567666175 /nfs/dbraw/zinc/66/61/75/567666175.db2.gz NPGUBUWELRZHNY-LURJTMIESA-N -1 3 387.792 3.130 20 0 GGADHM CSc1nnc(NC(=O)c2cc(I)cc(C)c2C)[n-]1 ZINC000481260737 567666580 /nfs/dbraw/zinc/66/65/80/567666580.db2.gz OXTRFYLTROONGY-UHFFFAOYSA-N -1 3 388.234 3.000 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cc(I)cc(C)c2C)n1 ZINC000481260737 567666582 /nfs/dbraw/zinc/66/65/82/567666582.db2.gz OXTRFYLTROONGY-UHFFFAOYSA-N -1 3 388.234 3.000 20 0 GGADHM CSc1nc(NC(=O)c2cc(I)cc(C)c2C)n[n-]1 ZINC000481260737 567666586 /nfs/dbraw/zinc/66/65/86/567666586.db2.gz OXTRFYLTROONGY-UHFFFAOYSA-N -1 3 388.234 3.000 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000481265715 567666744 /nfs/dbraw/zinc/66/67/44/567666744.db2.gz WLEXJRFTZQCDPA-IUODEOHRSA-N -1 3 383.466 3.288 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(F)cc1F ZINC000481265735 567667045 /nfs/dbraw/zinc/66/70/45/567667045.db2.gz WOBUJXCPBSWEID-GXTWGEPZSA-N -1 3 375.343 3.401 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000481265716 567667080 /nfs/dbraw/zinc/66/70/80/567667080.db2.gz WLEXJRFTZQCDPA-SWLSCSKDSA-N -1 3 383.466 3.288 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481270192 567667904 /nfs/dbraw/zinc/66/79/04/567667904.db2.gz ULUREGHWIPXAHF-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1ccccc1C(F)(F)F ZINC000553571363 567668069 /nfs/dbraw/zinc/66/80/69/567668069.db2.gz IVXZYFAYNYRWJM-NSHDSACASA-N -1 3 393.814 3.413 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000441549176 567668085 /nfs/dbraw/zinc/66/80/85/567668085.db2.gz VQGXAZSEDWJDDT-UHFFFAOYSA-N -1 3 394.802 3.283 20 0 GGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000441539444 567668561 /nfs/dbraw/zinc/66/85/61/567668561.db2.gz IGQBDKXOOIKGGY-NSHDSACASA-N -1 3 378.947 3.107 20 0 GGADHM O=S(=O)([N-]Cc1nccc(C(F)F)n1)c1cc(C(F)(F)F)ccc1F ZINC000553574477 567668509 /nfs/dbraw/zinc/66/85/09/567668509.db2.gz JBCONGVIXAWVIB-UHFFFAOYSA-N -1 3 385.289 3.051 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000553572220 567668672 /nfs/dbraw/zinc/66/86/72/567668672.db2.gz VTYJQKAYMGTLKL-RMLUDKJBSA-N -1 3 376.331 3.040 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(F)F)s1 ZINC000645795234 567669058 /nfs/dbraw/zinc/66/90/58/567669058.db2.gz QFJGXRXNLUWGEM-GFCCVEGCSA-N -1 3 396.525 3.023 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3C)CC2)s1 ZINC000645793458 567669260 /nfs/dbraw/zinc/66/92/60/567669260.db2.gz MUZSZVKPKXHGAR-CYBMUJFWSA-N -1 3 378.519 3.221 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)[n-]1 ZINC000572843851 567669976 /nfs/dbraw/zinc/66/99/76/567669976.db2.gz RJPHAOQPQUEBEA-VHSXEESVSA-N -1 3 388.187 3.366 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000441632980 567670884 /nfs/dbraw/zinc/67/08/84/567670884.db2.gz HWBWRYZAIHWWBL-CYBMUJFWSA-N -1 3 378.475 3.289 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(C)cc2)s1 ZINC000645811615 567671125 /nfs/dbraw/zinc/67/11/25/567671125.db2.gz VMKRIOBFHIYZIR-UHOFOFEASA-N -1 3 378.519 3.088 20 0 GGADHM O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000507252655 567671279 /nfs/dbraw/zinc/67/12/79/567671279.db2.gz NGVCVXUTDVERJH-GFCCVEGCSA-N -1 3 398.684 3.389 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000572873771 567671396 /nfs/dbraw/zinc/67/13/96/567671396.db2.gz GJUMMFMXERXIEX-KBPBESRZSA-N -1 3 379.881 3.314 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCC(C)(C)C)cc1F ZINC000645821232 567671680 /nfs/dbraw/zinc/67/16/80/567671680.db2.gz XONUJKQDHQKSML-UHFFFAOYSA-N -1 3 394.534 3.034 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1Br)c1ccc(F)c(F)c1 ZINC000507295953 567673374 /nfs/dbraw/zinc/67/33/74/567673374.db2.gz QVIWASOHNYRTNP-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM COCC(C)(C)CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000572935225 567677176 /nfs/dbraw/zinc/67/71/76/567677176.db2.gz BFLMCRGZRYUSNZ-UHFFFAOYSA-N -1 3 395.297 3.473 20 0 GGADHM O=S(=O)([N-]CCCF)c1csc(-c2cccc(Br)c2)n1 ZINC000531749470 567677541 /nfs/dbraw/zinc/67/75/41/567677541.db2.gz LIBKZLJSOKVYSC-UHFFFAOYSA-N -1 3 379.276 3.211 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000481442585 567677827 /nfs/dbraw/zinc/67/78/27/567677827.db2.gz IWPMCRFHJILIHI-BZNIZROVSA-N -1 3 385.844 3.308 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000481442588 567677979 /nfs/dbraw/zinc/67/79/79/567677979.db2.gz IWPMCRFHJILIHI-ZBEGNZNMSA-N -1 3 385.844 3.308 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)s1 ZINC000481482063 567681226 /nfs/dbraw/zinc/68/12/26/567681226.db2.gz WEONLSGTIJCACC-SNVBAGLBSA-N -1 3 384.361 3.285 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000481455334 567678945 /nfs/dbraw/zinc/67/89/45/567678945.db2.gz SRTVZIYDXXNXDK-ZBEGNZNMSA-N -1 3 385.844 3.308 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000481452691 567679254 /nfs/dbraw/zinc/67/92/54/567679254.db2.gz TTYMNVOONFQVKU-BZNIZROVSA-N -1 3 385.844 3.308 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000481461133 567679481 /nfs/dbraw/zinc/67/94/81/567679481.db2.gz DWWUVZVOQBQGTR-AULYBMBSSA-N -1 3 385.894 3.413 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000481452693 567679527 /nfs/dbraw/zinc/67/95/27/567679527.db2.gz TTYMNVOONFQVKU-ZBEGNZNMSA-N -1 3 385.844 3.308 20 0 GGADHM COc1cccc(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481482790 567680211 /nfs/dbraw/zinc/68/02/11/567680211.db2.gz RQWYKPKSOSLALA-HNNXBMFYSA-N -1 3 390.288 3.155 20 0 GGADHM CC(C)(C)CCNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553748499 567680622 /nfs/dbraw/zinc/68/06/22/567680622.db2.gz VWBXRGBXWVUSFK-UHFFFAOYSA-N -1 3 396.340 3.007 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c(F)c1 ZINC000481474324 567680629 /nfs/dbraw/zinc/68/06/29/567680629.db2.gz IZDDEYCKILFJOV-ZDUSSCGKSA-N -1 3 394.251 3.153 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2C(C)(C)C2(C)C)cc1Cl ZINC000481483774 567680806 /nfs/dbraw/zinc/68/08/06/567680806.db2.gz URRSATDZBZYSKV-UHFFFAOYSA-N -1 3 376.881 3.398 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000481477444 567680967 /nfs/dbraw/zinc/68/09/67/567680967.db2.gz WRAHRULXEFPZPW-LLVKDONJSA-N -1 3 381.306 3.079 20 0 GGADHM COc1cccc(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481482791 567681109 /nfs/dbraw/zinc/68/11/09/567681109.db2.gz RQWYKPKSOSLALA-OAHLLOKOSA-N -1 3 390.288 3.155 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)ccc1NC1CC1 ZINC000531824533 567681495 /nfs/dbraw/zinc/68/14/95/567681495.db2.gz AWLAVVAYBQTCGG-UHFFFAOYSA-N -1 3 399.925 3.283 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@@H]1CCO[C@H]1c1ccccc1 ZINC000553767063 567681784 /nfs/dbraw/zinc/68/17/84/567681784.db2.gz BDHVRNMCVSREQC-SJORKVTESA-N -1 3 396.306 3.399 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c(Cl)c1Cl ZINC000481497069 567682045 /nfs/dbraw/zinc/68/20/45/567682045.db2.gz WPKFJHCEFVPGCP-SNVBAGLBSA-N -1 3 384.325 3.468 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 ZINC000481490549 567682119 /nfs/dbraw/zinc/68/21/19/567682119.db2.gz JRMGFXIGIINORI-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM COc1cc(C(=O)N(C)C)ccc1NCc1cc([O-])ccc1Br ZINC000573018345 567682247 /nfs/dbraw/zinc/68/22/47/567682247.db2.gz KXGUUDYZNBWVKK-UHFFFAOYSA-N -1 3 379.254 3.477 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553766305 567682201 /nfs/dbraw/zinc/68/22/01/567682201.db2.gz NUBYUGKDDRHZMM-JTQLQIEISA-N -1 3 378.347 3.029 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000481490728 567682554 /nfs/dbraw/zinc/68/25/54/567682554.db2.gz JAIZBLBMMVEDCQ-JTQLQIEISA-N -1 3 381.306 3.024 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000442106606 567682587 /nfs/dbraw/zinc/68/25/87/567682587.db2.gz GHUQDKBIDSTXCT-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000481495961 567682716 /nfs/dbraw/zinc/68/27/16/567682716.db2.gz WCLWXXJUPKHQFS-NSHDSACASA-N -1 3 382.295 3.054 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000442124811 567683293 /nfs/dbraw/zinc/68/32/93/567683293.db2.gz SPAHJLOFNMFLFL-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)oc1C ZINC000481499292 567683279 /nfs/dbraw/zinc/68/32/79/567683279.db2.gz LZMPWBOKUFRFKS-MQMHXKEQSA-N -1 3 383.853 3.253 20 0 GGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000481501292 567683405 /nfs/dbraw/zinc/68/34/05/567683405.db2.gz IQACSXPZRVPYQU-NSHDSACASA-N -1 3 382.295 3.054 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1c[nH]cn1 ZINC000573039928 567683393 /nfs/dbraw/zinc/68/33/93/567683393.db2.gz INYSAOFPMIOAID-CYBMUJFWSA-N -1 3 395.282 3.009 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000481509272 567683742 /nfs/dbraw/zinc/68/37/42/567683742.db2.gz OYLTWSZKLLWWIH-AULYBMBSSA-N -1 3 385.894 3.413 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000442134388 567684031 /nfs/dbraw/zinc/68/40/31/567684031.db2.gz MGRWTVZRJVFJOH-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000442182047 567685098 /nfs/dbraw/zinc/68/50/98/567685098.db2.gz FNESQPIMUSSLJC-UHFFFAOYSA-N -1 3 380.853 3.175 20 0 GGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442232408 567685846 /nfs/dbraw/zinc/68/58/46/567685846.db2.gz KDJBYRXPZCSEHN-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM O=C(c1cc(Br)c2ccccc2c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000645974203 567686040 /nfs/dbraw/zinc/68/60/40/567686040.db2.gz OSQPMNAGWXGDBF-UHFFFAOYSA-N -1 3 384.233 3.296 20 0 GGADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)cc1 ZINC000442232601 567686187 /nfs/dbraw/zinc/68/61/87/567686187.db2.gz XQYDTKQMCUKEFL-UHFFFAOYSA-N -1 3 383.853 3.309 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481548418 567687006 /nfs/dbraw/zinc/68/70/06/567687006.db2.gz UXSFYVHUQOOKGG-UHFFFAOYSA-N -1 3 381.933 3.332 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(Cl)cc1F ZINC000507578699 567687219 /nfs/dbraw/zinc/68/72/19/567687219.db2.gz HIIVEXBHAXDRTB-UHFFFAOYSA-N -1 3 377.224 3.341 20 0 GGADHM O=S(=O)([N-]c1ccc2nccnc2c1Br)c1cncc(Cl)c1 ZINC000507580696 567687871 /nfs/dbraw/zinc/68/78/71/567687871.db2.gz DOGFGYAOJHMLFK-UHFFFAOYSA-N -1 3 399.657 3.242 20 0 GGADHM Cc1cn2c(n1)[C@@H](CN=c1ncc3scc(Br)c3[n-]1)CCC2 ZINC000573107280 567689070 /nfs/dbraw/zinc/68/90/70/567689070.db2.gz SZSLPNLUIUKCCC-SNVBAGLBSA-N -1 3 378.299 3.370 20 0 GGADHM O=C(NCc1ccc2c(c1)CCO2)NCc1ccc([O-])c(Br)c1 ZINC000531960113 567690233 /nfs/dbraw/zinc/69/02/33/567690233.db2.gz CBEHYLTVJITZPI-UHFFFAOYSA-N -1 3 377.238 3.089 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)[C@H]1OC ZINC000460496311 567690489 /nfs/dbraw/zinc/69/04/89/567690489.db2.gz YJMDLCQPQJMOHF-LALPHHSUSA-N -1 3 375.899 3.025 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000573131888 567691094 /nfs/dbraw/zinc/69/10/94/567691094.db2.gz ONMSDUBWAXEXAG-PSLIRLAXSA-N -1 3 386.242 3.389 20 0 GGADHM CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(OC)c([O-])c1Br ZINC000597243853 567691725 /nfs/dbraw/zinc/69/17/25/567691725.db2.gz ZCIGQWXFVFBJAK-DYVFJYSZSA-N -1 3 386.286 3.375 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000553852854 567691967 /nfs/dbraw/zinc/69/19/67/567691967.db2.gz LLSKORDSHZQMCT-MNOVXSKESA-N -1 3 385.379 3.208 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(C)c(Cl)c(C)c2)s1 ZINC000442434965 567693400 /nfs/dbraw/zinc/69/34/00/567693400.db2.gz OOVBLPLXLAEFCE-UHFFFAOYSA-N -1 3 387.914 3.248 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443304737 567747455 /nfs/dbraw/zinc/74/74/55/567747455.db2.gz ULMIAHGLPXTFEB-TVQRCGJNSA-N -1 3 384.723 3.178 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000507652058 567693801 /nfs/dbraw/zinc/69/38/01/567693801.db2.gz HEDWUHFEFPECEQ-OCCSQVGLSA-N -1 3 377.539 3.029 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(Oc2ccccn2)c1 ZINC000573173812 567693781 /nfs/dbraw/zinc/69/37/81/567693781.db2.gz VPHSZQGSOYLBJC-UHFFFAOYSA-N -1 3 376.356 3.195 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)cc1Cl ZINC000553883476 567694907 /nfs/dbraw/zinc/69/49/07/567694907.db2.gz OQSZINZOJVPBKP-JGVFFNPUSA-N -1 3 386.670 3.280 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCSC(C)C ZINC000553898742 567697628 /nfs/dbraw/zinc/69/76/28/567697628.db2.gz UTZTZPUEQJQJJQ-UHFFFAOYSA-N -1 3 381.947 3.175 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000553913247 567698288 /nfs/dbraw/zinc/69/82/88/567698288.db2.gz WZODPDVTWFMHQG-UHFFFAOYSA-N -1 3 382.295 3.319 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000553908595 567699005 /nfs/dbraw/zinc/69/90/05/567699005.db2.gz UEOUSWQXKQSMRF-AWEZNQCLSA-N -1 3 379.787 3.159 20 0 GGADHM CCn1ncc2cc(C(=O)NCc3ccc([O-])c(Br)c3)c(C)nc21 ZINC000442632545 567699668 /nfs/dbraw/zinc/69/96/68/567699668.db2.gz DKNHDRAOCAWUII-UHFFFAOYSA-N -1 3 389.253 3.158 20 0 GGADHM C[C@@H](NC(=O)c1cc(Br)cs1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646199611 567699843 /nfs/dbraw/zinc/69/98/43/567699843.db2.gz WMLKTPXLJGZRBC-RKDXNWHRSA-N -1 3 398.282 3.004 20 0 GGADHM Cc1ccoc1CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000553944222 567699777 /nfs/dbraw/zinc/69/97/77/567699777.db2.gz BTVBDKIWICTEAR-UHFFFAOYSA-N -1 3 375.222 3.464 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000553915064 567700318 /nfs/dbraw/zinc/70/03/18/567700318.db2.gz FUTRJDSQSQAGIM-UHFFFAOYSA-N -1 3 388.205 3.077 20 0 GGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)CCSCC ZINC000442661012 567700441 /nfs/dbraw/zinc/70/04/41/567700441.db2.gz BOGPBYKJNAHKQE-GFCCVEGCSA-N -1 3 386.539 3.162 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2ccccc2F)cc1OC ZINC000460761785 567700879 /nfs/dbraw/zinc/70/08/79/567700879.db2.gz YLSMAQLYPDNEFF-UHFFFAOYSA-N -1 3 387.816 3.216 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(F)c(Br)c2)c(=O)[n-]1 ZINC000507713955 567701113 /nfs/dbraw/zinc/70/11/13/567701113.db2.gz MWJVNHWJCUCRNS-MRVPVSSYSA-N -1 3 382.233 3.121 20 0 GGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(OC)c(C(=O)OC)cc1Cl ZINC000460759798 567701470 /nfs/dbraw/zinc/70/14/70/567701470.db2.gz RXSLPBWYJMZLHS-UHFFFAOYSA-N -1 3 383.853 3.498 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2sc3cc(F)ccc3c2C)s1 ZINC000553949617 567701624 /nfs/dbraw/zinc/70/16/24/567701624.db2.gz HFKJNMLSFRCGPW-UHFFFAOYSA-N -1 3 398.506 3.248 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000442734077 567702883 /nfs/dbraw/zinc/70/28/83/567702883.db2.gz DYCNOPZKAFYIES-MNOVXSKESA-N -1 3 399.456 3.490 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000442734078 567702926 /nfs/dbraw/zinc/70/29/26/567702926.db2.gz DYCNOPZKAFYIES-QWRGUYRKSA-N -1 3 399.456 3.490 20 0 GGADHM COc1ccccc1OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000532220339 567704820 /nfs/dbraw/zinc/70/48/20/567704820.db2.gz HHXWMWCTOKIESI-UHFFFAOYSA-N -1 3 395.253 3.042 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(Cc2ccccc2)CCC1 ZINC000442751788 567705341 /nfs/dbraw/zinc/70/53/41/567705341.db2.gz RSMXCJMBFCRWDD-UHFFFAOYSA-N -1 3 379.503 3.287 20 0 GGADHM Cc1sc(Br)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000442753564 567705628 /nfs/dbraw/zinc/70/56/28/567705628.db2.gz OZTSFZPHRLMWHL-UHFFFAOYSA-N -1 3 392.282 3.238 20 0 GGADHM Cc1sc(Br)c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000442753564 567705633 /nfs/dbraw/zinc/70/56/33/567705633.db2.gz OZTSFZPHRLMWHL-UHFFFAOYSA-N -1 3 392.282 3.238 20 0 GGADHM O=C(Cc1ccn(-c2ccccc2)n1)NCc1ccc([O-])c(Br)c1 ZINC000532273568 567705718 /nfs/dbraw/zinc/70/57/18/567705718.db2.gz NQIYMVHPXMHQHL-UHFFFAOYSA-N -1 3 386.249 3.199 20 0 GGADHM CC(=O)Nc1ccccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000532256775 567706053 /nfs/dbraw/zinc/70/60/53/567706053.db2.gz YAFCGEJUICTKGL-UHFFFAOYSA-N -1 3 392.253 3.113 20 0 GGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c1 ZINC000646339810 567708102 /nfs/dbraw/zinc/70/81/02/567708102.db2.gz FKGOZSXRHXRROO-CYBMUJFWSA-N -1 3 377.238 3.152 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c1 ZINC000646340606 567708225 /nfs/dbraw/zinc/70/82/25/567708225.db2.gz MVVXPYHQLJATTF-AWEZNQCLSA-N -1 3 391.265 3.406 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)c1ccccc1OC ZINC000442771343 567708395 /nfs/dbraw/zinc/70/83/95/567708395.db2.gz ZXACUVWMULCSKZ-UHFFFAOYSA-N -1 3 383.491 3.065 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c1 ZINC000646340607 567708517 /nfs/dbraw/zinc/70/85/17/567708517.db2.gz MVVXPYHQLJATTF-CQSZACIVSA-N -1 3 391.265 3.406 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000532333913 567709494 /nfs/dbraw/zinc/70/94/94/567709494.db2.gz JXIJYTRZHZVRCU-UHFFFAOYSA-N -1 3 381.401 3.039 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)s1 ZINC000460906028 567709734 /nfs/dbraw/zinc/70/97/34/567709734.db2.gz UIDZZVZQTXSWLG-UHFFFAOYSA-N -1 3 382.841 3.439 20 0 GGADHM Cc1ccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c([O-])c1 ZINC000646344066 567710965 /nfs/dbraw/zinc/71/09/65/567710965.db2.gz ZUNUTRJYKBUHMO-ZDUSSCGKSA-N -1 3 377.238 3.152 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)s1 ZINC000573415052 567710929 /nfs/dbraw/zinc/71/09/29/567710929.db2.gz YANLSXNMVGOYJS-MRXNPFEDSA-N -1 3 396.925 3.160 20 0 GGADHM COc1cnc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(Br)c1 ZINC000573403563 567711286 /nfs/dbraw/zinc/71/12/86/567711286.db2.gz XYNFJEOBEVFWBI-UHFFFAOYSA-N -1 3 389.246 3.409 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)s1 ZINC000573415049 567711533 /nfs/dbraw/zinc/71/15/33/567711533.db2.gz YANLSXNMVGOYJS-INIZCTEOSA-N -1 3 396.925 3.160 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000460950166 567711840 /nfs/dbraw/zinc/71/18/40/567711840.db2.gz PBBJNLXTXPVSOU-MRXNPFEDSA-N -1 3 379.551 3.129 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)[C@@H](C)CC)c2)s1 ZINC000460948858 567712051 /nfs/dbraw/zinc/71/20/51/567712051.db2.gz ANKPPAMTRJEBQF-LBPRGKRZSA-N -1 3 381.523 3.169 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507876935 567712170 /nfs/dbraw/zinc/71/21/70/567712170.db2.gz TYURHHDIWISPIZ-LLVKDONJSA-N -1 3 397.781 3.428 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000442843878 567712189 /nfs/dbraw/zinc/71/21/89/567712189.db2.gz QQPKIULBWSQBTP-GFCCVEGCSA-N -1 3 392.279 3.262 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000442851431 567712265 /nfs/dbraw/zinc/71/22/65/567712265.db2.gz RFRGIJZHFQAKNZ-LBPRGKRZSA-N -1 3 392.279 3.262 20 0 GGADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1c[nH]c2ncccc12 ZINC000442847450 567712277 /nfs/dbraw/zinc/71/22/77/567712277.db2.gz COBMWRQCHXLEMV-UHFFFAOYSA-N -1 3 388.193 3.404 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)s1 ZINC000460948118 567712278 /nfs/dbraw/zinc/71/22/78/567712278.db2.gz UTTOGZZRTFIMGR-LBPRGKRZSA-N -1 3 387.324 3.434 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000442843995 567712371 /nfs/dbraw/zinc/71/23/71/567712371.db2.gz KZKWANDCAHKGCB-LBPRGKRZSA-N -1 3 392.279 3.262 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c(OC)c1 ZINC000442841817 567712388 /nfs/dbraw/zinc/71/23/88/567712388.db2.gz NJNZIQKWYRVOGA-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)s1 ZINC000460943938 567712372 /nfs/dbraw/zinc/71/23/72/567712372.db2.gz BMVLALNMTBUVBG-UHFFFAOYSA-N -1 3 394.440 3.263 20 0 GGADHM O=C([O-])C1(CNCc2ccc(F)cc2I)CCCC1 ZINC000573429221 567712512 /nfs/dbraw/zinc/71/25/12/567712512.db2.gz NWQHGPAQBRJCBF-UHFFFAOYSA-N -1 3 377.197 3.165 20 0 GGADHM COc1ccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000442863666 567712791 /nfs/dbraw/zinc/71/27/91/567712791.db2.gz ABAJSHLXEAOPAE-LBPRGKRZSA-N -1 3 386.876 3.117 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1cccc(Br)c1[O-] ZINC000573422059 567712862 /nfs/dbraw/zinc/71/28/62/567712862.db2.gz DANXOZDEXORQEI-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)ccc1C(=O)N(C)C ZINC000507890982 567712925 /nfs/dbraw/zinc/71/29/25/567712925.db2.gz SAQBIMJOVXNPQE-UHFFFAOYSA-N -1 3 380.897 3.335 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](C)Sc1ccccc1 ZINC000442844974 567713048 /nfs/dbraw/zinc/71/30/48/567713048.db2.gz HBVUIJKUBCFHIM-GFCCVEGCSA-N -1 3 383.466 3.071 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccc(Cl)cc2)s1 ZINC000460957181 567713149 /nfs/dbraw/zinc/71/31/49/567713149.db2.gz KKALIVGLVBAUBJ-OAHLLOKOSA-N -1 3 396.925 3.160 20 0 GGADHM COc1ccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000442863663 567713137 /nfs/dbraw/zinc/71/31/37/567713137.db2.gz ABAJSHLXEAOPAE-GFCCVEGCSA-N -1 3 386.876 3.117 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CC2(c3ccccc3C)CCOCC2)s1 ZINC000460961819 567713185 /nfs/dbraw/zinc/71/31/85/567713185.db2.gz VUMTYUAREHZENQ-UHFFFAOYSA-N -1 3 380.535 3.041 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)nc1C ZINC000507886281 567713391 /nfs/dbraw/zinc/71/33/91/567713391.db2.gz GWTXBMPMXIKLOZ-CYBMUJFWSA-N -1 3 379.379 3.323 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)cc(F)c1 ZINC000442874492 567713756 /nfs/dbraw/zinc/71/37/56/567713756.db2.gz MHKXUXTZCVIWFS-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM CSc1ccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000442879486 567714075 /nfs/dbraw/zinc/71/40/75/567714075.db2.gz WBKRRANPPQTRMR-GFCCVEGCSA-N -1 3 386.489 3.316 20 0 GGADHM Cc1[nH][n-]c(=O)c1NC(=O)c1cc(Br)sc1Br ZINC000646409807 567716157 /nfs/dbraw/zinc/71/61/57/567716157.db2.gz YRHPGZKPGVINHF-UHFFFAOYSA-N -1 3 381.049 3.263 20 0 GGADHM CCC(CC)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OC ZINC000554225484 567716109 /nfs/dbraw/zinc/71/61/09/567716109.db2.gz CKLJTCZGVCLZTP-UHFFFAOYSA-N -1 3 381.270 3.226 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCSc2ccccc21)c1ccc(F)cc1F ZINC000442893893 567716434 /nfs/dbraw/zinc/71/64/34/567716434.db2.gz YOQLSQJLGINBLQ-HNNXBMFYSA-N -1 3 384.473 3.070 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]Cc3nc(C4CC4)cs3)cc2N1 ZINC000532450605 567716956 /nfs/dbraw/zinc/71/69/56/567716956.db2.gz DIHXOCBZLMYXBT-UHFFFAOYSA-N -1 3 397.909 3.037 20 0 GGADHM Cc1cc(Br)oc1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000461024005 567717638 /nfs/dbraw/zinc/71/76/38/567717638.db2.gz AWHORNNEDIKHSZ-UHFFFAOYSA-N -1 3 387.255 3.283 20 0 GGADHM Cn1ccc2c([N-]S(=O)(=O)CCc3cccc(Cl)c3)cccc2c1=O ZINC000507933415 567717737 /nfs/dbraw/zinc/71/77/37/567717737.db2.gz HRFSSLCLRDQUKT-UHFFFAOYSA-N -1 3 376.865 3.176 20 0 GGADHM Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000442946402 567719183 /nfs/dbraw/zinc/71/91/83/567719183.db2.gz YNVCZGSXVYZCGP-UHFFFAOYSA-N -1 3 398.275 3.307 20 0 GGADHM Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000442946402 567719186 /nfs/dbraw/zinc/71/91/86/567719186.db2.gz YNVCZGSXVYZCGP-UHFFFAOYSA-N -1 3 398.275 3.307 20 0 GGADHM O=S(=O)([N-]c1ccc(Cl)cc1I)c1ccoc1 ZINC000507964754 567719678 /nfs/dbraw/zinc/71/96/78/567719678.db2.gz ICDLJDWJTWVTGE-UHFFFAOYSA-N -1 3 383.594 3.338 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1Cl)c1ccccc1 ZINC000507963147 567719736 /nfs/dbraw/zinc/71/97/36/567719736.db2.gz BNLKRIKOTFCEOY-NSHDSACASA-N -1 3 389.807 3.317 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C2)c(Br)c1 ZINC000507977364 567719867 /nfs/dbraw/zinc/71/98/67/567719867.db2.gz AJERSWTVRIFCNF-NSHDSACASA-N -1 3 390.299 3.093 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000573537722 567720086 /nfs/dbraw/zinc/72/00/86/567720086.db2.gz ICCHGBIUAGHRBP-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1I)c1ccsc1 ZINC000507984697 567721198 /nfs/dbraw/zinc/72/11/98/567721198.db2.gz LTYRWKMXJHRWRT-UHFFFAOYSA-N -1 3 383.207 3.293 20 0 GGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000461114960 567721041 /nfs/dbraw/zinc/72/10/41/567721041.db2.gz VHKQPLJROZZSQE-JOCHJYFZSA-N -1 3 375.874 3.467 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000461110569 567721655 /nfs/dbraw/zinc/72/16/55/567721655.db2.gz FZBQJXNUDOVEPP-QHCPKHFHSA-N -1 3 393.864 3.439 20 0 GGADHM CSc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000442975237 567721684 /nfs/dbraw/zinc/72/16/84/567721684.db2.gz JPLOXGWCGYSBQS-NWDGAFQWSA-N -1 3 384.548 3.014 20 0 GGADHM CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442988897 567721804 /nfs/dbraw/zinc/72/18/04/567721804.db2.gz NTQKHDWGYTZORO-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442988897 567721806 /nfs/dbraw/zinc/72/18/06/567721806.db2.gz NTQKHDWGYTZORO-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM CC(C)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442975326 567721956 /nfs/dbraw/zinc/72/19/56/567721956.db2.gz FSWXSXWZSSQKCB-UHFFFAOYSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442975326 567721958 /nfs/dbraw/zinc/72/19/58/567721958.db2.gz FSWXSXWZSSQKCB-UHFFFAOYSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c[nH]1 ZINC000461126314 567722966 /nfs/dbraw/zinc/72/29/66/567722966.db2.gz PEHGOZIUXJSMMJ-UHFFFAOYSA-N -1 3 393.646 3.018 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1c(Cl)cccc1Cl ZINC000443011066 567723086 /nfs/dbraw/zinc/72/30/86/567723086.db2.gz GGAIOQSQXKUVGV-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCOc1ccc(C(C)C)cc1 ZINC000443022603 567724013 /nfs/dbraw/zinc/72/40/13/567724013.db2.gz WNNLRTWIXONTHT-UHFFFAOYSA-N -1 3 383.491 3.015 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1Cl ZINC000443015293 567724187 /nfs/dbraw/zinc/72/41/87/567724187.db2.gz FYHDJNMDCMKVHA-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1oc2ccccc2c1C ZINC000443013441 567724546 /nfs/dbraw/zinc/72/45/46/567724546.db2.gz MNWLKLLYQVSTJW-JTQLQIEISA-N -1 3 380.447 3.024 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000443017453 567724885 /nfs/dbraw/zinc/72/48/85/567724885.db2.gz LSGSKZNCSOSYHN-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000443027759 567725495 /nfs/dbraw/zinc/72/54/95/567725495.db2.gz ZYJPBDKAQNIMAE-HNNXBMFYSA-N -1 3 380.491 3.140 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](c2cccs2)C2CC2)ccc1F ZINC000554385048 567725581 /nfs/dbraw/zinc/72/55/81/567725581.db2.gz YJJSTMXRPJOCQJ-OAHLLOKOSA-N -1 3 383.470 3.068 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000443040134 567725640 /nfs/dbraw/zinc/72/56/40/567725640.db2.gz UPIBBZIJLBSETF-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC)cc1 ZINC000443037715 567725741 /nfs/dbraw/zinc/72/57/41/567725741.db2.gz NZEQLDRZXMHUGZ-NSHDSACASA-N -1 3 383.853 3.175 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)COc1ccc(Cl)cc1 ZINC000461233421 567725871 /nfs/dbraw/zinc/72/58/71/567725871.db2.gz HCYWLRDWOSLEAT-UHFFFAOYSA-N -1 3 377.231 3.228 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCOCCC(C)C ZINC000443033654 567726072 /nfs/dbraw/zinc/72/60/72/567726072.db2.gz GJGLQKBNDPPFGW-UHFFFAOYSA-N -1 3 385.507 3.029 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(F)c1 ZINC000508082450 567726089 /nfs/dbraw/zinc/72/60/89/567726089.db2.gz HHWPXRXOHODXIN-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CSc1ccc(F)cc1 ZINC000461236204 567726152 /nfs/dbraw/zinc/72/61/52/567726152.db2.gz HMWNQMWHDXQOSI-UHFFFAOYSA-N -1 3 376.844 3.427 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000443027762 567726408 /nfs/dbraw/zinc/72/64/08/567726408.db2.gz ZYJPBDKAQNIMAE-OAHLLOKOSA-N -1 3 380.491 3.140 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1C ZINC000443039629 567726509 /nfs/dbraw/zinc/72/65/09/567726509.db2.gz SSFWDKCIRXTIPT-ZDUSSCGKSA-N -1 3 381.881 3.345 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000554412086 567726632 /nfs/dbraw/zinc/72/66/32/567726632.db2.gz OEVMSRCCLAJNMU-GHMZBOCLSA-N -1 3 377.267 3.258 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1c(C)cc(C(=O)OC)cc1Cl ZINC000508082772 567726709 /nfs/dbraw/zinc/72/67/09/567726709.db2.gz IBTDGTOHABLSPN-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)c1C ZINC000508083641 567726937 /nfs/dbraw/zinc/72/69/37/567726937.db2.gz LOMZBOUZENLGKS-UHFFFAOYSA-N -1 3 377.844 3.244 20 0 GGADHM COc1cccc(OC)c1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000508087106 567727384 /nfs/dbraw/zinc/72/73/84/567727384.db2.gz VATXXYUINKLFEH-UHFFFAOYSA-N -1 3 391.823 3.428 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cn1 ZINC000573670652 567728551 /nfs/dbraw/zinc/72/85/51/567728551.db2.gz BPPCFWBUXSFONY-SNVBAGLBSA-N -1 3 392.283 3.157 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000443078537 567728678 /nfs/dbraw/zinc/72/86/78/567728678.db2.gz NZNXPUJZOUHEAP-ZDUSSCGKSA-N -1 3 379.865 3.135 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000443087638 567730218 /nfs/dbraw/zinc/73/02/18/567730218.db2.gz QGHMELBKENOOLH-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccc1C ZINC000443082537 567730457 /nfs/dbraw/zinc/73/04/57/567730457.db2.gz ALMAXNLWWRWMMF-AWEZNQCLSA-N -1 3 382.507 3.304 20 0 GGADHM CC(C)Cc1ncc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000461342664 567730878 /nfs/dbraw/zinc/73/08/78/567730878.db2.gz JMDGINIIUXEKFL-UHFFFAOYSA-N -1 3 398.326 3.422 20 0 GGADHM COc1cc(O)cc([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461344225 567731019 /nfs/dbraw/zinc/73/10/19/567731019.db2.gz SHCLKHHITMNPEO-UHFFFAOYSA-N -1 3 386.267 3.148 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(N3CCC3=O)c2)c(Cl)cc1F ZINC000443098167 567731141 /nfs/dbraw/zinc/73/11/41/567731141.db2.gz ZANUNBCTSAFEKX-UHFFFAOYSA-N -1 3 382.844 3.003 20 0 GGADHM CCCCOCCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443089542 567731247 /nfs/dbraw/zinc/73/12/47/567731247.db2.gz VDAPVSRCWMFYPS-UHFFFAOYSA-N -1 3 385.507 3.173 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000443099245 567731257 /nfs/dbraw/zinc/73/12/57/567731257.db2.gz SFNGIGBNPKOIRF-NSHDSACASA-N -1 3 383.491 3.390 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000443097919 567731310 /nfs/dbraw/zinc/73/13/10/567731310.db2.gz WBBVAAYTDDSQJB-UHFFFAOYSA-N -1 3 389.901 3.144 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c(F)c1 ZINC000508120015 567731553 /nfs/dbraw/zinc/73/15/53/567731553.db2.gz SUMXJXLBMHQBST-UHFFFAOYSA-N -1 3 395.637 3.446 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000443096282 567731604 /nfs/dbraw/zinc/73/16/04/567731604.db2.gz SZFXCBDOUPDUNI-UHFFFAOYSA-N -1 3 375.471 3.475 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(Br)cc2c1OCCO2 ZINC000667174165 567732113 /nfs/dbraw/zinc/73/21/13/567732113.db2.gz CPCKVJGXFLMFJG-UHFFFAOYSA-N -1 3 392.181 3.262 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000443102989 567732352 /nfs/dbraw/zinc/73/23/52/567732352.db2.gz JTUIDQNAVNDQTA-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000443109923 567732512 /nfs/dbraw/zinc/73/25/12/567732512.db2.gz QOJMEPMVJXHZHQ-SSDOTTSWSA-N -1 3 395.289 3.276 20 0 GGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000554525354 567733185 /nfs/dbraw/zinc/73/31/85/567733185.db2.gz UDBCWVQDRNAWKB-GFCCVEGCSA-N -1 3 385.265 3.497 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1csc(-c2ccccc2)n1 ZINC000554527861 567733710 /nfs/dbraw/zinc/73/37/10/567733710.db2.gz GWKSGCLCFHESCH-OAHLLOKOSA-N -1 3 378.519 3.438 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000443122493 567734035 /nfs/dbraw/zinc/73/40/35/567734035.db2.gz HDMLNBNFSDYTFT-UHFFFAOYSA-N -1 3 389.901 3.144 20 0 GGADHM CCc1cc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)on1 ZINC000532777935 567734446 /nfs/dbraw/zinc/73/44/46/567734446.db2.gz KPAGICKKXSMAAU-UHFFFAOYSA-N -1 3 379.663 3.131 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554534747 567734873 /nfs/dbraw/zinc/73/48/73/567734873.db2.gz RMEHRVRTYWFYDP-NSHDSACASA-N -1 3 391.244 3.411 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)cc1Cl)c1ccc(Cl)s1 ZINC000532783833 567734961 /nfs/dbraw/zinc/73/49/61/567734961.db2.gz XWOIOBJDZURYRV-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1Cl ZINC000443131923 567734931 /nfs/dbraw/zinc/73/49/31/567734931.db2.gz PLGZHWDPKJJBNB-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)sc1Br ZINC000573785091 567736383 /nfs/dbraw/zinc/73/63/83/567736383.db2.gz KVMFDPMNVWYZLQ-UHFFFAOYSA-N -1 3 394.341 3.026 20 0 GGADHM C[C@H](c1ccccc1Br)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000532792721 567736419 /nfs/dbraw/zinc/73/64/19/567736419.db2.gz WQJLTGIOKMGREP-GFCCVEGCSA-N -1 3 391.265 3.104 20 0 GGADHM CCCN1C[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1=O ZINC000573791735 567736660 /nfs/dbraw/zinc/73/66/60/567736660.db2.gz IMDFTNOYQGRURL-ZDUSSCGKSA-N -1 3 380.897 3.030 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c1 ZINC000508203280 567737218 /nfs/dbraw/zinc/73/72/18/567737218.db2.gz ABLPWGBRBLNEAI-UHFFFAOYSA-N -1 3 379.331 3.199 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)o1 ZINC000573798429 567737561 /nfs/dbraw/zinc/73/75/61/567737561.db2.gz GOZRWYLMPKPHJD-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ccc(F)cc1 ZINC000461469962 567738394 /nfs/dbraw/zinc/73/83/94/567738394.db2.gz REUVSOOWSBSPJD-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM Cc1ccccc1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461470366 567738463 /nfs/dbraw/zinc/73/84/63/567738463.db2.gz VIMFGFYNAQYPDH-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1cc(Br)ccc1Cl ZINC000443189754 567738454 /nfs/dbraw/zinc/73/84/54/567738454.db2.gz LBHGWOSDFMMOLJ-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000573828455 567738843 /nfs/dbraw/zinc/73/88/43/567738843.db2.gz SVCQCZZGWVUWMF-GLEZIHRCSA-N -1 3 381.816 3.156 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 ZINC000443213995 567739712 /nfs/dbraw/zinc/73/97/12/567739712.db2.gz LRBHECPVWCJUSO-AWEZNQCLSA-N -1 3 399.299 3.357 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1cc(F)ccc1Br ZINC000443208141 567739761 /nfs/dbraw/zinc/73/97/61/567739761.db2.gz APOMOZHIUNQIIT-CYBMUJFWSA-N -1 3 386.242 3.260 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1ccc(Br)c(F)c1 ZINC000443209722 567739817 /nfs/dbraw/zinc/73/98/17/567739817.db2.gz TUSDDEWXOINMKW-CQSZACIVSA-N -1 3 386.242 3.260 20 0 GGADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000532853581 567739968 /nfs/dbraw/zinc/73/99/68/567739968.db2.gz JIVRFAFJBJQKBR-LBPRGKRZSA-N -1 3 386.926 3.450 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C)o2)c(-c2ccccc2)s1 ZINC000443214629 567740033 /nfs/dbraw/zinc/74/00/33/567740033.db2.gz OBRUZCKWZFXRNI-UHFFFAOYSA-N -1 3 378.475 3.336 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)sc1Br ZINC000443212637 567740053 /nfs/dbraw/zinc/74/00/53/567740053.db2.gz MPJFSQULHQRZQW-LLVKDONJSA-N -1 3 388.308 3.490 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C2CCN(c3nc4ccccc4s3)CC2)s1 ZINC000532859208 567740061 /nfs/dbraw/zinc/74/00/61/567740061.db2.gz VMEDNOARVGPFFQ-UHFFFAOYSA-N -1 3 394.547 3.009 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)c(C)o1 ZINC000532854236 567740087 /nfs/dbraw/zinc/74/00/87/567740087.db2.gz FVAMEKUZHLPLBE-UHFFFAOYSA-N -1 3 389.882 3.099 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)F)c(Cl)c1 ZINC000443214799 567740212 /nfs/dbraw/zinc/74/02/12/567740212.db2.gz VUCZRRRLFWGYBB-GDBMZVCRSA-N -1 3 389.851 3.164 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)c(Cl)cc1F ZINC000443224883 567740918 /nfs/dbraw/zinc/74/09/18/567740918.db2.gz JSFXEZLOLRKRLJ-UHFFFAOYSA-N -1 3 394.802 3.305 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000443241235 567742127 /nfs/dbraw/zinc/74/21/27/567742127.db2.gz ALDYYCVNMKNNEK-CJNGLKHVSA-N -1 3 379.865 3.036 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c1Cl ZINC000443262048 567743513 /nfs/dbraw/zinc/74/35/13/567743513.db2.gz HBXNWIWFIDMGDE-ZDUSSCGKSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CO)c3cccc(F)c3)s2)cs1 ZINC000443264392 567743702 /nfs/dbraw/zinc/74/37/02/567743702.db2.gz QNWVYCYALVIKBG-CYBMUJFWSA-N -1 3 398.506 3.331 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000554707276 567744045 /nfs/dbraw/zinc/74/40/45/567744045.db2.gz HDALXXRRKVZKHV-BZNIZROVSA-N -1 3 382.279 3.391 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1cc(Cl)cc(Cl)c1 ZINC000443272260 567744891 /nfs/dbraw/zinc/74/48/91/567744891.db2.gz TWCMGPGQYRXINO-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1ccc2n[n-]nc2c1 ZINC000508380926 567745968 /nfs/dbraw/zinc/74/59/68/567745968.db2.gz GSUBOKVRZFTAFZ-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)CCC=C2 ZINC000573941247 567745950 /nfs/dbraw/zinc/74/59/50/567745950.db2.gz YNHPWDXWJJOIIU-UHFFFAOYSA-N -1 3 396.921 3.069 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)c(F)c1 ZINC000573938152 567746295 /nfs/dbraw/zinc/74/62/95/567746295.db2.gz TWMJIULDJDQSJG-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1cc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)ccc1[O-] ZINC000443299196 567746509 /nfs/dbraw/zinc/74/65/09/567746509.db2.gz UYTRLMCNCNZFLS-NSHDSACASA-N -1 3 380.238 3.361 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1F)c1cc2cc(Cl)ccc2s1 ZINC000533009319 567747019 /nfs/dbraw/zinc/74/70/19/567747019.db2.gz KNOWGEPJGIABOQ-UHFFFAOYSA-N -1 3 386.857 3.446 20 0 GGADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443310472 567747636 /nfs/dbraw/zinc/74/76/36/567747636.db2.gz JJRPPSANVQHRJU-LLVKDONJSA-N -1 3 387.548 3.498 20 0 GGADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1cc(F)ccc1Br ZINC000443312809 567747674 /nfs/dbraw/zinc/74/76/74/567747674.db2.gz HHWXJHDNAJJACV-CQSZACIVSA-N -1 3 394.306 3.198 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C)cc2F)N(C)C)cc1 ZINC000573976127 567747728 /nfs/dbraw/zinc/74/77/28/567747728.db2.gz WYYPSDJFGBCCGT-KRWDZBQOSA-N -1 3 382.526 3.437 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1ccc(Cl)cc1Cl ZINC000461790361 567748947 /nfs/dbraw/zinc/74/89/47/567748947.db2.gz HVZZIJIIGIUTKK-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000461802076 567749599 /nfs/dbraw/zinc/74/95/99/567749599.db2.gz ZWKQITFEECWVRQ-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000461802435 567749642 /nfs/dbraw/zinc/74/96/42/567749642.db2.gz SBONBSMYYNSPLT-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000461802686 567749700 /nfs/dbraw/zinc/74/97/00/567749700.db2.gz USACZBQGJXZDNX-UONOGXRCSA-N -1 3 386.583 3.167 20 0 GGADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000461802687 567749797 /nfs/dbraw/zinc/74/97/97/567749797.db2.gz USACZBQGJXZDNX-ZIAGYGMSSA-N -1 3 386.583 3.167 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c(Cl)c1Cl ZINC000461796969 567749960 /nfs/dbraw/zinc/74/99/60/567749960.db2.gz PMXLSMGQUSCBJR-LBPRGKRZSA-N -1 3 396.336 3.469 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000443344670 567750088 /nfs/dbraw/zinc/75/00/88/567750088.db2.gz IYPNWGPBMOLTNI-MRVPVSSYSA-N -1 3 377.846 3.367 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443338227 567750196 /nfs/dbraw/zinc/75/01/96/567750196.db2.gz WZURMAKNQHFMEZ-NSHDSACASA-N -1 3 398.750 3.426 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)c(F)c2F)CC1)c1cccs1 ZINC000667492752 567750530 /nfs/dbraw/zinc/75/05/30/567750530.db2.gz UWTXBSGAQDZYMV-UHFFFAOYSA-N -1 3 390.452 3.108 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000443348849 567750756 /nfs/dbraw/zinc/75/07/56/567750756.db2.gz CHSIXQVACHQPPJ-UHFFFAOYSA-N -1 3 383.466 3.121 20 0 GGADHM C[C@@H]1[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)C1(F)F ZINC000461872775 567750867 /nfs/dbraw/zinc/75/08/67/567750867.db2.gz XFZTXAMUXSQQAD-MLUIRONXSA-N -1 3 375.148 3.213 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2c(F)cccc2Cl)c(F)c1 ZINC000443347235 567750993 /nfs/dbraw/zinc/75/09/93/567750993.db2.gz XIHRVMHYIRSPCX-GFCCVEGCSA-N -1 3 389.851 3.056 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)cc1Cl ZINC000443352321 567751105 /nfs/dbraw/zinc/75/11/05/567751105.db2.gz CRPSTQMWPKPRJQ-HUUCEWRRSA-N -1 3 382.309 3.222 20 0 GGADHM COc1cc(CNc2ccc(Cn3ccnc3)cn2)cc(Br)c1[O-] ZINC000508489146 567751000 /nfs/dbraw/zinc/75/10/00/567751000.db2.gz PWCHMIFXZXKORQ-UHFFFAOYSA-N -1 3 389.253 3.415 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000443352581 567751401 /nfs/dbraw/zinc/75/14/01/567751401.db2.gz QWAWVJHVUOFGKR-VHSXEESVSA-N -1 3 385.429 3.182 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)cc1Cl ZINC000443352320 567751517 /nfs/dbraw/zinc/75/15/17/567751517.db2.gz CRPSTQMWPKPRJQ-GJZGRUSLSA-N -1 3 382.309 3.222 20 0 GGADHM Cc1csc([C@@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000623982166 567752300 /nfs/dbraw/zinc/75/23/00/567752300.db2.gz GYRXJNXQBBVWTB-SNVBAGLBSA-N -1 3 394.349 3.387 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)cc1Cl ZINC000443374986 567752829 /nfs/dbraw/zinc/75/28/29/567752829.db2.gz QSZOYQUUKMVMTM-CYBMUJFWSA-N -1 3 382.309 3.222 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C(C)(C)C ZINC000443375694 567752866 /nfs/dbraw/zinc/75/28/66/567752866.db2.gz OXSYJKCELLXZRB-HNNXBMFYSA-N -1 3 382.507 3.304 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000443389154 567753538 /nfs/dbraw/zinc/75/35/38/567753538.db2.gz UZVSZGDYBGSLEN-SNVBAGLBSA-N -1 3 388.258 3.203 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000443387882 567753592 /nfs/dbraw/zinc/75/35/92/567753592.db2.gz OWSUFOYZBRKCIA-SNVBAGLBSA-N -1 3 388.258 3.203 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)s1 ZINC000443386127 567753719 /nfs/dbraw/zinc/75/37/19/567753719.db2.gz MMMOBDPCLJYNOS-GFCCVEGCSA-N -1 3 382.345 3.039 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000533175427 567755963 /nfs/dbraw/zinc/75/59/63/567755963.db2.gz VZDCGTORPJZDKS-UHFFFAOYSA-N -1 3 399.969 3.295 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)c(C)o1 ZINC000533175338 567755996 /nfs/dbraw/zinc/75/59/96/567755996.db2.gz QJOSBJKBTSXWGN-UHFFFAOYSA-N -1 3 383.853 3.038 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CCCc2ccc(Br)cc2F)s1 ZINC000533176724 567756029 /nfs/dbraw/zinc/75/60/29/567756029.db2.gz UQCJEPBJRHZMOX-UHFFFAOYSA-N -1 3 393.303 3.264 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c(C)o1 ZINC000533176192 567756477 /nfs/dbraw/zinc/75/64/77/567756477.db2.gz RRHJVOULVYPZPW-LBPRGKRZSA-N -1 3 385.438 3.029 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCC3)c2)s1 ZINC000533176399 567756600 /nfs/dbraw/zinc/75/66/00/567756600.db2.gz CADXEAAJBULQHA-UHFFFAOYSA-N -1 3 379.507 3.059 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)c(C)o1 ZINC000533176191 567756682 /nfs/dbraw/zinc/75/66/82/567756682.db2.gz RRHJVOULVYPZPW-GFCCVEGCSA-N -1 3 385.438 3.029 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)COc2ncc(Cl)cc2Cl)s1 ZINC000533175136 567756818 /nfs/dbraw/zinc/75/68/18/567756818.db2.gz GEHUHUVKPJETHR-UHFFFAOYSA-N -1 3 396.321 3.289 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)COc2ccc(C(F)(F)F)cn2)s1 ZINC000533174280 567757014 /nfs/dbraw/zinc/75/70/14/567757014.db2.gz WTYGZYXLDMWDSN-UHFFFAOYSA-N -1 3 395.428 3.001 20 0 GGADHM O=C1[C@@H](NCc2cc([O-])ccc2Br)CCN1Cc1ccccc1 ZINC000533201580 567759369 /nfs/dbraw/zinc/75/93/69/567759369.db2.gz QFDRYPXGQHKQGR-KRWDZBQOSA-N -1 3 375.266 3.045 20 0 GGADHM O=C1[C@H](NCc2cc([O-])ccc2Br)CCN1Cc1ccccc1 ZINC000533201581 567759423 /nfs/dbraw/zinc/75/94/23/567759423.db2.gz QFDRYPXGQHKQGR-QGZVFWFLSA-N -1 3 375.266 3.045 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2nc3ccccc3n2C(F)F)s1 ZINC000443469897 567759600 /nfs/dbraw/zinc/75/96/00/567759600.db2.gz TVXFTATXYJBYGW-UHFFFAOYSA-N -1 3 386.449 3.026 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)o1 ZINC000533200972 567759542 /nfs/dbraw/zinc/75/95/42/567759542.db2.gz ZSQHITFWHAHLKG-VIFPVBQESA-N -1 3 380.495 3.325 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)c(Br)c1)c1cccc(Cl)c1F ZINC000443491825 567761023 /nfs/dbraw/zinc/76/10/23/567761023.db2.gz OZRITKIBSUUOMC-UHFFFAOYSA-N -1 3 394.649 3.426 20 0 GGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443484195 567761154 /nfs/dbraw/zinc/76/11/54/567761154.db2.gz BQMYNIIMQJVJNO-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1cc(F)ccc1Br ZINC000533254001 567761147 /nfs/dbraw/zinc/76/11/47/567761147.db2.gz JIBJPTJPTQHUIT-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1)C(C)C ZINC000647125871 567761430 /nfs/dbraw/zinc/76/14/30/567761430.db2.gz CNKZXBBZVJVBMB-MRXNPFEDSA-N -1 3 392.974 3.306 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Sc2ncccn2)cc1C)C(C)C ZINC000647126259 567761797 /nfs/dbraw/zinc/76/17/97/567761797.db2.gz LOUDZAAXQAPLSX-MRXNPFEDSA-N -1 3 381.523 3.349 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647129237 567763232 /nfs/dbraw/zinc/76/32/32/567763232.db2.gz LWGCGJLUCZADGB-HNNXBMFYSA-N -1 3 376.906 3.491 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(F)cc1F ZINC000574222706 567764002 /nfs/dbraw/zinc/76/40/02/567764002.db2.gz DSWTTYPXGAQOSU-UHFFFAOYSA-N -1 3 375.780 3.347 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2cc(Cl)ccc2Br)c(=O)[n-]1 ZINC000574206235 567764346 /nfs/dbraw/zinc/76/43/46/567764346.db2.gz TUFYVYFLURUQDQ-UHFFFAOYSA-N -1 3 398.688 3.464 20 0 GGADHM [O-]c1c(Br)cc(-c2nc([C@H]3CCCN3)no2)cc1Br ZINC000647145773 567764521 /nfs/dbraw/zinc/76/45/21/567764521.db2.gz DSJJJESMPQRBCX-SECBINFHSA-N -1 3 389.047 3.392 20 0 GGADHM CNC(=O)c1sc2[n-]c(-c3ccc(Br)cc3F)nc(=O)c2c1C ZINC000533327542 567764583 /nfs/dbraw/zinc/76/45/83/567764583.db2.gz SYIVKQLBDFITFJ-UHFFFAOYSA-N -1 3 396.241 3.221 20 0 GGADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000462065541 567764773 /nfs/dbraw/zinc/76/47/73/567764773.db2.gz AYMICMINSXDJPG-RKDXNWHRSA-N -1 3 385.237 3.230 20 0 GGADHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000508759048 567765022 /nfs/dbraw/zinc/76/50/22/567765022.db2.gz MRGQJUPABGWNBR-NSHDSACASA-N -1 3 384.851 3.369 20 0 GGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c(F)c1 ZINC000647134628 567765152 /nfs/dbraw/zinc/76/51/52/567765152.db2.gz XTGZUYOATGBXOH-UHFFFAOYSA-N -1 3 377.363 3.102 20 0 GGADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000508805527 567766109 /nfs/dbraw/zinc/76/61/09/567766109.db2.gz HPAOVHUZUHMNTB-LBPRGKRZSA-N -1 3 390.933 3.203 20 0 GGADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000508805526 567766534 /nfs/dbraw/zinc/76/65/34/567766534.db2.gz HPAOVHUZUHMNTB-GFCCVEGCSA-N -1 3 390.933 3.203 20 0 GGADHM COc1ccc(NC(=O)c2ccc(OC)cc2I)c([O-])c1 ZINC000443568038 567766646 /nfs/dbraw/zinc/76/66/46/567766646.db2.gz QRWAVNUESOKWCH-UHFFFAOYSA-N -1 3 399.184 3.266 20 0 GGADHM COc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c([O-])c1 ZINC000443557788 567766904 /nfs/dbraw/zinc/76/69/04/567766904.db2.gz IVWNMXOVXUOTMG-HNNXBMFYSA-N -1 3 378.837 3.496 20 0 GGADHM COc1ccc(NC(=O)c2ccc(OC)c(I)c2)c([O-])c1 ZINC000443573201 567767067 /nfs/dbraw/zinc/76/70/67/567767067.db2.gz JALUUMXIXJPQAV-UHFFFAOYSA-N -1 3 399.184 3.266 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000533402200 567767146 /nfs/dbraw/zinc/76/71/46/567767146.db2.gz ZWZWNUSWWLGIED-UHFFFAOYSA-N -1 3 395.278 3.024 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000508817906 567767436 /nfs/dbraw/zinc/76/74/36/567767436.db2.gz QAQRCRXDYOIERQ-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Nc1ccccc1 ZINC000462087008 567768270 /nfs/dbraw/zinc/76/82/70/567768270.db2.gz ZLIICJIPOOYHPO-UHFFFAOYSA-N -1 3 378.397 3.074 20 0 GGADHM Brc1csc2cnc(=NCCCOCC3CCOCC3)[n-]c12 ZINC000574290285 567769169 /nfs/dbraw/zinc/76/91/69/567769169.db2.gz JFBBCIXXMXNDSP-UHFFFAOYSA-N -1 3 386.315 3.121 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462092743 567769678 /nfs/dbraw/zinc/76/96/78/567769678.db2.gz XTALXKSBAXNYMY-GHMZBOCLSA-N -1 3 398.472 3.129 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462092744 567769830 /nfs/dbraw/zinc/76/98/30/567769830.db2.gz XTALXKSBAXNYMY-MNOVXSKESA-N -1 3 398.472 3.129 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccs1 ZINC000462089651 567770094 /nfs/dbraw/zinc/77/00/94/567770094.db2.gz SHQGARREVSTUIE-SECBINFHSA-N -1 3 384.470 3.410 20 0 GGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c1F ZINC000555126937 567770405 /nfs/dbraw/zinc/77/04/05/567770405.db2.gz IJYNJFQPAONFCW-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462096832 567770792 /nfs/dbraw/zinc/77/07/92/567770792.db2.gz GNUWZZKIEFMFCW-VIFPVBQESA-N -1 3 394.444 3.295 20 0 GGADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508871778 567771276 /nfs/dbraw/zinc/77/12/76/567771276.db2.gz DXFQEQQZGODGPM-NSHDSACASA-N -1 3 387.807 3.225 20 0 GGADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3sccc3S(N)(=O)=O)sc2C1 ZINC000667726489 567771849 /nfs/dbraw/zinc/77/18/49/567771849.db2.gz CPFMUSSXEOVZPP-SECBINFHSA-N -1 3 385.536 3.009 20 0 GGADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000443721889 567772114 /nfs/dbraw/zinc/77/21/14/567772114.db2.gz HTOGFCCJPZTBOI-UHFFFAOYSA-N -1 3 389.882 3.065 20 0 GGADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462103009 567772127 /nfs/dbraw/zinc/77/21/27/567772127.db2.gz DDDIVMIVSPHMLM-LBPRGKRZSA-N -1 3 379.425 3.303 20 0 GGADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462105393 567772404 /nfs/dbraw/zinc/77/24/04/567772404.db2.gz TXLXPOKHXJRUIB-GFCCVEGCSA-N -1 3 379.425 3.211 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCCC[C@H]1c1ccccc1 ZINC000574332667 567772509 /nfs/dbraw/zinc/77/25/09/567772509.db2.gz AZGMSBWILGHXQR-INIZCTEOSA-N -1 3 378.519 3.170 20 0 GGADHM O=S(=O)([N-]CCCOCC1CC1)c1ccc(Br)c(Cl)c1 ZINC000443713236 567772677 /nfs/dbraw/zinc/77/26/77/567772677.db2.gz XEXZZMQNBOTSPH-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)cn2c1 ZINC000462107905 567773374 /nfs/dbraw/zinc/77/33/74/567773374.db2.gz BLOVLOJLSFFMGN-UHFFFAOYSA-N -1 3 375.397 3.202 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc(F)c1 ZINC000462110027 567773487 /nfs/dbraw/zinc/77/34/87/567773487.db2.gz SBKGWYGEEZFBAB-LBPRGKRZSA-N -1 3 396.431 3.487 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443743770 567773774 /nfs/dbraw/zinc/77/37/74/567773774.db2.gz JRUPVIXPSKPXLX-ZANVPECISA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@@H](NCc1cccc([O-])c1Br)C(=O)NCc1cccs1 ZINC000647241470 567774371 /nfs/dbraw/zinc/77/43/71/567774371.db2.gz OVJWVRMFSKMTOX-CYBMUJFWSA-N -1 3 383.311 3.401 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000533547582 567774392 /nfs/dbraw/zinc/77/43/92/567774392.db2.gz PRVJIJDTKLBRQF-QMTHXVAHSA-N -1 3 383.853 3.322 20 0 GGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443763095 567774631 /nfs/dbraw/zinc/77/46/31/567774631.db2.gz YRRCLRNUZWYUSQ-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccn(C(C)C)n2)c(Cl)c1Cl ZINC000555230562 567774957 /nfs/dbraw/zinc/77/49/57/567774957.db2.gz AWZQCSTWGSUKTH-UHFFFAOYSA-N -1 3 378.281 3.258 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1ccc(Br)c(Cl)c1 ZINC000443762363 567774985 /nfs/dbraw/zinc/77/49/85/567774985.db2.gz WCNQRFAFNOJCBR-GFCCVEGCSA-N -1 3 390.690 3.182 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)c(Cl)c1Cl ZINC000533554115 567775515 /nfs/dbraw/zinc/77/55/15/567775515.db2.gz STXYJZLYVYRBQR-NSHDSACASA-N -1 3 382.309 3.222 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000533554077 567775597 /nfs/dbraw/zinc/77/55/97/567775597.db2.gz LNLQJPLDRUQKTA-CQSZACIVSA-N -1 3 376.261 3.014 20 0 GGADHM COc1ccc(CNCCc2cn3c(cccc3C)n2)c(Br)c1[O-] ZINC000647262929 567775689 /nfs/dbraw/zinc/77/56/89/567775689.db2.gz YWQCSZJFJYDZRV-UHFFFAOYSA-N -1 3 390.281 3.452 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443777332 567775927 /nfs/dbraw/zinc/77/59/27/567775927.db2.gz YQMUVZZIKQUJCI-NSHDSACASA-N -1 3 398.750 3.426 20 0 GGADHM CCn1c2ccc(Br)cc2nc1[N-]C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000555248072 567776107 /nfs/dbraw/zinc/77/61/07/567776107.db2.gz KDOIQLUYHYIHDS-LLVKDONJSA-N -1 3 393.285 3.016 20 0 GGADHM Cn1ncc2ccc(CNC(=O)NCc3ccc([O-])c(Br)c3)cc21 ZINC000555259504 567776318 /nfs/dbraw/zinc/77/63/18/567776318.db2.gz WAFSWRJCXIADEZ-UHFFFAOYSA-N -1 3 389.253 3.041 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2cccs2)no1 ZINC000598565747 567776741 /nfs/dbraw/zinc/77/67/41/567776741.db2.gz QVJRWBKWPZWYEM-SNVBAGLBSA-N -1 3 383.882 3.415 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632863 567778674 /nfs/dbraw/zinc/77/86/74/567778674.db2.gz IRTTVHPHHALLLU-PBHICJAKSA-N -1 3 379.913 3.066 20 0 GGADHM Cn1cc(Br)c(=NC(=O)c2ccc(OC3CCC3)cc2Cl)[n-]1 ZINC000574454451 567779134 /nfs/dbraw/zinc/77/91/34/567779134.db2.gz CRGDVMIZKIGMTJ-UHFFFAOYSA-N -1 3 384.661 3.442 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000533639195 567779558 /nfs/dbraw/zinc/77/95/58/567779558.db2.gz TURQJWHFVRLLKV-ZUZCIYMTSA-N -1 3 375.277 3.443 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000533639193 567779730 /nfs/dbraw/zinc/77/97/30/567779730.db2.gz TURQJWHFVRLLKV-BONVTDFDSA-N -1 3 375.277 3.443 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cc(Br)ccc1F ZINC000443928375 567779962 /nfs/dbraw/zinc/77/99/62/567779962.db2.gz NDQCQAGZPWTACR-UHFFFAOYSA-N -1 3 399.285 3.341 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2ccc(Br)s2)no1 ZINC000574468795 567779964 /nfs/dbraw/zinc/77/99/64/567779964.db2.gz AQOHZIWFPVYSNS-UHFFFAOYSA-N -1 3 393.328 3.416 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)cc(N)c1 ZINC000647321751 567780059 /nfs/dbraw/zinc/78/00/59/567780059.db2.gz JNKYHFKLHHDYRF-UHFFFAOYSA-N -1 3 399.310 3.217 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nc1 ZINC000443935750 567780586 /nfs/dbraw/zinc/78/05/86/567780586.db2.gz ICHHQQMGXKZCFA-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F)cc1 ZINC000443942109 567781551 /nfs/dbraw/zinc/78/15/51/567781551.db2.gz MIPNSIOQYCAMNZ-DOMZBBRYSA-N -1 3 383.432 3.357 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000555413045 567782138 /nfs/dbraw/zinc/78/21/38/567782138.db2.gz DWTZAZJKPBXIPD-JTQLQIEISA-N -1 3 380.470 3.124 20 0 GGADHM C[C@@](O)(CC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC1 ZINC000533705151 567782819 /nfs/dbraw/zinc/78/28/19/567782819.db2.gz OTXRLIVKTCAWQC-MRXNPFEDSA-N -1 3 398.688 3.404 20 0 GGADHM CN(CCN(C)C1CC1)Cc1cc(Br)c([O-])c(Br)c1 ZINC000668167508 567799551 /nfs/dbraw/zinc/79/95/51/567799551.db2.gz BUDZDNJMBWQZGX-UHFFFAOYSA-N -1 3 392.135 3.443 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccs1 ZINC000443986385 567784450 /nfs/dbraw/zinc/78/44/50/567784450.db2.gz IMTIKBPVDSSVSK-GFCCVEGCSA-N -1 3 396.431 3.487 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1cc(F)cc(Cl)c1 ZINC000533711423 567784502 /nfs/dbraw/zinc/78/45/02/567784502.db2.gz SCLYAJZHYCNAOA-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccs1 ZINC000443986386 567784746 /nfs/dbraw/zinc/78/47/46/567784746.db2.gz IMTIKBPVDSSVSK-LBPRGKRZSA-N -1 3 396.431 3.487 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1ccc(Br)cc1Cl ZINC000555455108 567785270 /nfs/dbraw/zinc/78/52/70/567785270.db2.gz SFHGHEXAVBAGCK-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000533740241 567785337 /nfs/dbraw/zinc/78/53/37/567785337.db2.gz DRJHFKQJHKLDMY-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM CC1(C)CCC[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000533753262 567785503 /nfs/dbraw/zinc/78/55/03/567785503.db2.gz GFRDEHCBSOPLJV-NSHDSACASA-N -1 3 378.947 3.012 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000533753261 567785513 /nfs/dbraw/zinc/78/55/13/567785513.db2.gz GFRDEHCBSOPLJV-LLVKDONJSA-N -1 3 378.947 3.012 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2sc(C)nc2C)N(C)C)cc1 ZINC000555474909 567786208 /nfs/dbraw/zinc/78/62/08/567786208.db2.gz WXVQNMZJTSBFHG-OAHLLOKOSA-N -1 3 385.580 3.063 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000555509435 567786282 /nfs/dbraw/zinc/78/62/82/567786282.db2.gz VPKJNXBIPAHWPS-UHFFFAOYSA-N -1 3 384.885 3.220 20 0 GGADHM CC(C)C[C@@H](C(=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000574578607 567786308 /nfs/dbraw/zinc/78/63/08/567786308.db2.gz RFQRHYPNCQEFSK-ZDUSSCGKSA-N -1 3 379.810 3.375 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444056765 567786740 /nfs/dbraw/zinc/78/67/40/567786740.db2.gz LFIPZPSZRSABLD-UHFFFAOYSA-N -1 3 378.347 3.117 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C2(C)CCCCC2)c(OC)cc1Br ZINC000444053588 567786933 /nfs/dbraw/zinc/78/69/33/567786933.db2.gz CCUPILIVRHPMRF-UHFFFAOYSA-N -1 3 392.315 3.467 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CCCC(C)C)c(OC)cc1Br ZINC000444037520 567786948 /nfs/dbraw/zinc/78/69/48/567786948.db2.gz FWQMATRHWOIZPZ-UHFFFAOYSA-N -1 3 380.304 3.181 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)s1 ZINC000574600013 567787416 /nfs/dbraw/zinc/78/74/16/567787416.db2.gz FEVLRQPJCJFDMW-SNVBAGLBSA-N -1 3 388.308 3.274 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000574600017 567787487 /nfs/dbraw/zinc/78/74/87/567787487.db2.gz YABYYZXVCIBHMT-UHFFFAOYSA-N -1 3 393.408 3.088 20 0 GGADHM CC1(F)CC([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C1 ZINC000574605047 567787535 /nfs/dbraw/zinc/78/75/35/567787535.db2.gz GMYIVGADTLGJEB-UUCFBXCCSA-N -1 3 391.892 3.457 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1OCO2)c1ccc(C(F)(F)F)cc1F ZINC000444065556 567788652 /nfs/dbraw/zinc/78/86/52/567788652.db2.gz MTGTWDFWZWUZEV-UHFFFAOYSA-N -1 3 377.315 3.052 20 0 GGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444069891 567788662 /nfs/dbraw/zinc/78/86/62/567788662.db2.gz IPUBJCNQSCECOU-QMMMGPOBSA-N -1 3 380.363 3.359 20 0 GGADHM CSc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ncc(C)s2)c1 ZINC000668021671 567788906 /nfs/dbraw/zinc/78/89/06/567788906.db2.gz NKAMWNPJJUZDBT-LBPRGKRZSA-N -1 3 395.531 3.033 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444068216 567788954 /nfs/dbraw/zinc/78/89/54/567788954.db2.gz FXUIXOOOQCACGC-JTQLQIEISA-N -1 3 377.359 3.460 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCC[C@H](F)C2)cc(C(F)(F)F)c1 ZINC000574641916 567788977 /nfs/dbraw/zinc/78/89/77/567788977.db2.gz YIDCYIHXHJFOCU-NWDGAFQWSA-N -1 3 382.379 3.087 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000444076741 567789936 /nfs/dbraw/zinc/78/99/36/567789936.db2.gz LLSGCOCMOUZXEH-LBPRGKRZSA-N -1 3 380.407 3.140 20 0 GGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000444074293 567790337 /nfs/dbraw/zinc/79/03/37/567790337.db2.gz RMXLIXYZKFBBBQ-SUMWQHHRSA-N -1 3 379.503 3.237 20 0 GGADHM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000533883883 567792089 /nfs/dbraw/zinc/79/20/89/567792089.db2.gz FHSMTQIAWVSONR-UHFFFAOYSA-N -1 3 387.860 3.407 20 0 GGADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444091512 567792159 /nfs/dbraw/zinc/79/21/59/567792159.db2.gz PWQUDCPGHQNKJV-CMPLNLGQSA-N -1 3 392.315 3.323 20 0 GGADHM COCc1cc(Cl)ccc1[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000574695696 567792627 /nfs/dbraw/zinc/79/26/27/567792627.db2.gz XEMLFHGDVKXUQF-UHFFFAOYSA-N -1 3 381.881 3.406 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000533909040 567792839 /nfs/dbraw/zinc/79/28/39/567792839.db2.gz DKVHUUURMUFQOE-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM CC1(C)CCC([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)(C(N)=O)CC1 ZINC000533910803 567793006 /nfs/dbraw/zinc/79/30/06/567793006.db2.gz XSBSKLNPWLYNPM-UHFFFAOYSA-N -1 3 379.309 3.096 20 0 GGADHM CC(C)Cn1nccc1CN[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000647646615 567794897 /nfs/dbraw/zinc/79/48/97/567794897.db2.gz FUDCGYCSBTZFJV-MRXNPFEDSA-N -1 3 380.286 3.087 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000533946911 567795088 /nfs/dbraw/zinc/79/50/88/567795088.db2.gz UIXNPIABESRJMT-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000533993374 567795845 /nfs/dbraw/zinc/79/58/45/567795845.db2.gz WCOLTDDXTZLGEA-LLVKDONJSA-N -1 3 383.853 3.103 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)cc(Br)c1)c1ccco1 ZINC000444189746 567796049 /nfs/dbraw/zinc/79/60/49/567796049.db2.gz FWRPCEJQGFNBKI-CQSZACIVSA-N -1 3 388.283 3.407 20 0 GGADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1ccc(C(F)(F)F)cc1F ZINC000444190786 567796554 /nfs/dbraw/zinc/79/65/54/567796554.db2.gz FBFLLVXWODYHFP-UHFFFAOYSA-N -1 3 379.360 3.032 20 0 GGADHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000534006724 567796803 /nfs/dbraw/zinc/79/68/03/567796803.db2.gz QFMJUYCPVJKLTH-BMIGLBTASA-N -1 3 380.293 3.394 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000534006727 567796881 /nfs/dbraw/zinc/79/68/81/567796881.db2.gz QFMJUYCPVJKLTH-ZUZCIYMTSA-N -1 3 380.293 3.394 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO[C@H]1C1CC1 ZINC000444211615 567797300 /nfs/dbraw/zinc/79/73/00/567797300.db2.gz KLNYCKPBOITNCJ-LSDHHAIUSA-N -1 3 381.391 3.328 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)c(OC)cc1Br ZINC000444211301 567797415 /nfs/dbraw/zinc/79/74/15/567797415.db2.gz JRYHAVCIZSRQFI-JTQLQIEISA-N -1 3 392.315 3.323 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 ZINC000444213672 567797459 /nfs/dbraw/zinc/79/74/59/567797459.db2.gz PEGAPYWTRSAVKU-MRVPVSSYSA-N -1 3 380.367 3.126 20 0 GGADHM CO[C@@H](c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1)C1CC1 ZINC000574794680 567797481 /nfs/dbraw/zinc/79/74/81/567797481.db2.gz WVLXGDOZGJWEHS-LLVKDONJSA-N -1 3 376.214 3.382 20 0 GGADHM CO[C@@H](c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1)C1CC1 ZINC000574794680 567797484 /nfs/dbraw/zinc/79/74/84/567797484.db2.gz WVLXGDOZGJWEHS-LLVKDONJSA-N -1 3 376.214 3.382 20 0 GGADHM CO[C@@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C1CC1 ZINC000574794680 567797489 /nfs/dbraw/zinc/79/74/89/567797489.db2.gz WVLXGDOZGJWEHS-LLVKDONJSA-N -1 3 376.214 3.382 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000444214180 567797561 /nfs/dbraw/zinc/79/75/61/567797561.db2.gz DLVSAEWXEUATGJ-UHFFFAOYSA-N -1 3 376.425 3.480 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)c(F)cc1Br ZINC000668149679 567797953 /nfs/dbraw/zinc/79/79/53/567797953.db2.gz WUHSRNZGTFKYFZ-NSHDSACASA-N -1 3 387.274 3.374 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000647704535 567798251 /nfs/dbraw/zinc/79/82/51/567798251.db2.gz KRJRZMDCLQPPAX-BDAKNGLRSA-N -1 3 398.282 3.004 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1ncn(-c2ccccc2)n1 ZINC000574827627 567799555 /nfs/dbraw/zinc/79/95/55/567799555.db2.gz VXKLLHGMBWROME-UHFFFAOYSA-N -1 3 397.287 3.194 20 0 GGADHM CC(C)[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000574830857 567799639 /nfs/dbraw/zinc/79/96/39/567799639.db2.gz SOORKLUKYZBSHO-GFCCVEGCSA-N -1 3 375.281 3.359 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(F)cc1Br ZINC000668184158 567799660 /nfs/dbraw/zinc/79/96/60/567799660.db2.gz IOEDNNZDJIEKAY-UHFFFAOYSA-N -1 3 399.285 3.302 20 0 GGADHM O=C(Nc1nnc(-c2ccc3ccccc3n2)[n-]1)c1ccncc1Br ZINC000647771251 567801001 /nfs/dbraw/zinc/80/10/01/567801001.db2.gz SSICANSGNJFXHL-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1nc(-c2ccc3ccccc3n2)n[n-]1)c1ccncc1Br ZINC000647771251 567801006 /nfs/dbraw/zinc/80/10/06/567801006.db2.gz SSICANSGNJFXHL-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc3ccccc3n2)n1)c1ccncc1Br ZINC000647771251 567801009 /nfs/dbraw/zinc/80/10/09/567801009.db2.gz SSICANSGNJFXHL-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(COc1ccc(F)cc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797449 567802135 /nfs/dbraw/zinc/80/21/35/567802135.db2.gz NTZQBYIDWPRNOK-UHFFFAOYSA-N -1 3 380.173 3.188 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(Cl)c1 ZINC000534206742 567802989 /nfs/dbraw/zinc/80/29/89/567802989.db2.gz ANSWVZKPVOXNCH-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C(C)C)cc1 ZINC000647892720 567805022 /nfs/dbraw/zinc/80/50/22/567805022.db2.gz REGUWAQAILIVLB-ZDUSSCGKSA-N -1 3 377.388 3.113 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000534242946 567805061 /nfs/dbraw/zinc/80/50/61/567805061.db2.gz MJAAAHUGUSJJCM-SSDOTTSWSA-N -1 3 382.795 3.079 20 0 GGADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([O-])cc(Br)c1 ZINC000599098366 567805528 /nfs/dbraw/zinc/80/55/28/567805528.db2.gz SLUBVNBABMOFBJ-LKTVYLICSA-N -1 3 382.254 3.101 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)CC(F)(F)F ZINC000668311399 567806532 /nfs/dbraw/zinc/80/65/32/567806532.db2.gz IQROGPOWPXNFCN-GXSJLCMTSA-N -1 3 386.461 3.202 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000444514572 567806564 /nfs/dbraw/zinc/80/65/64/567806564.db2.gz MVZXFCVBERJEMD-NHYWBVRUSA-N -1 3 376.906 3.030 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)CC(F)(F)F ZINC000668311400 567806651 /nfs/dbraw/zinc/80/66/51/567806651.db2.gz IQROGPOWPXNFCN-KOLCDFICSA-N -1 3 386.461 3.202 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000647921868 567807055 /nfs/dbraw/zinc/80/70/55/567807055.db2.gz ROIKIDMAMQEQBM-JKSUJKDBSA-N -1 3 386.901 3.166 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(Br)cnc1C ZINC000574980174 567807189 /nfs/dbraw/zinc/80/71/89/567807189.db2.gz LOMSJCNLWXPDBN-HNNXBMFYSA-N -1 3 399.310 3.152 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000668332900 567807429 /nfs/dbraw/zinc/80/74/29/567807429.db2.gz IJDQVSKKSVGOMX-UHFFFAOYSA-N -1 3 394.331 3.330 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)nc1C ZINC000534310958 567807755 /nfs/dbraw/zinc/80/77/55/567807755.db2.gz FEMMMFWFZKXWSC-KRWDZBQOSA-N -1 3 379.482 3.480 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)n1 ZINC000575024304 567809064 /nfs/dbraw/zinc/80/90/64/567809064.db2.gz HJDPAFXXNIYERZ-UHFFFAOYSA-N -1 3 378.479 3.079 20 0 GGADHM O=S(=O)([N-]CCc1nnc(-c2ccccc2)o1)c1cc(F)cc(Cl)c1 ZINC000534405002 567809913 /nfs/dbraw/zinc/80/99/13/567809913.db2.gz JZOOWNLXGKJMNA-UHFFFAOYSA-N -1 3 381.816 3.050 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccco1 ZINC000534408901 567810744 /nfs/dbraw/zinc/81/07/44/567810744.db2.gz DSYKQRBCCXBZFF-GFCCVEGCSA-N -1 3 383.853 3.117 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)cc(Cl)c1 ZINC000534422348 567811320 /nfs/dbraw/zinc/81/13/20/567811320.db2.gz IEZKNFTXVCDOKD-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2cccn2)c1)c1cc(F)cc(Cl)c1 ZINC000534421592 567811734 /nfs/dbraw/zinc/81/17/34/567811734.db2.gz WVFPOLRFUQAWPS-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000534511980 567813295 /nfs/dbraw/zinc/81/32/95/567813295.db2.gz OZLZOQOKWDVLIH-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CN1Cc2ccccc2[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000534537926 567813892 /nfs/dbraw/zinc/81/38/92/567813892.db2.gz PWQIKJFAPJBQAK-INIZCTEOSA-N -1 3 390.281 3.141 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(C)c2)C2CC2)s1 ZINC000534630118 567815380 /nfs/dbraw/zinc/81/53/80/567815380.db2.gz HKKTUOFJCJABCN-MRXNPFEDSA-N -1 3 383.466 3.412 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000048331803 570238358 /nfs/dbraw/zinc/23/83/58/570238358.db2.gz ZSUJLBPEKFNXTL-UHFFFAOYSA-N -1 3 399.852 3.091 20 0 GGADHM CC(C)N(C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccccc1 ZINC000012887202 570285115 /nfs/dbraw/zinc/28/51/15/570285115.db2.gz VZNAFGPRRDXNPP-UHFFFAOYSA-N -1 3 395.503 3.484 20 0 GGADHM CCOc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012887873 570285136 /nfs/dbraw/zinc/28/51/36/570285136.db2.gz YHLRRARQYYZVTA-UHFFFAOYSA-N -1 3 398.459 3.047 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000021924503 570299652 /nfs/dbraw/zinc/29/96/52/570299652.db2.gz SQVKTLLVNVKAPI-UHFFFAOYSA-N -1 3 391.880 3.365 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3O)cc2)cc1C ZINC000022264631 570311491 /nfs/dbraw/zinc/31/14/91/570311491.db2.gz KRZFPLUTRWRHPN-UHFFFAOYSA-N -1 3 397.456 3.457 20 0 GGADHM CCCCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000022618956 570323465 /nfs/dbraw/zinc/32/34/65/570323465.db2.gz VPLRWNFEAGPZGA-GOSISDBHSA-N -1 3 392.496 3.022 20 0 GGADHM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)cn1 ZINC000023970281 570375956 /nfs/dbraw/zinc/37/59/56/570375956.db2.gz ZEJYCVXBEHBOCX-UHFFFAOYSA-N -1 3 397.884 3.073 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)cc1C ZINC000024813982 570394097 /nfs/dbraw/zinc/39/40/97/570394097.db2.gz NHZDVKWGDMXZJM-SFHVURJKSA-N -1 3 378.469 3.384 20 0 GGADHM O=C([O-])C1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000238014010 570419541 /nfs/dbraw/zinc/41/95/41/570419541.db2.gz LVCMRSWTQYEAKI-RJYAGPCLSA-N -1 3 398.425 3.201 20 0 GGADHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000026433177 570425726 /nfs/dbraw/zinc/42/57/26/570425726.db2.gz OQBDWHLFCGOPMC-UHFFFAOYSA-N -1 3 390.392 3.209 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)no1 ZINC000192650300 570489767 /nfs/dbraw/zinc/48/97/67/570489767.db2.gz LRIMXXFRYGIRGQ-UHFFFAOYSA-N -1 3 394.493 3.182 20 0 GGADHM CCN1CCN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)CC1 ZINC000036203750 570568599 /nfs/dbraw/zinc/56/85/99/570568599.db2.gz FAGZMEMUBNDYLK-UHFFFAOYSA-N -1 3 388.924 3.443 20 0 GGADHM COc1ccc(C)cc1NC(=O)CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000012802908 570718142 /nfs/dbraw/zinc/71/81/42/570718142.db2.gz JNMSQQKSEHZWPC-UHFFFAOYSA-N -1 3 384.461 3.395 20 0 GGADHM Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000013039204 570743083 /nfs/dbraw/zinc/74/30/83/570743083.db2.gz WHZMQDUGDVDXEY-UHFFFAOYSA-N -1 3 380.444 3.494 20 0 GGADHM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ncccc3[O-])cc2)cc1 ZINC000032740604 570786275 /nfs/dbraw/zinc/78/62/75/570786275.db2.gz DGCNEGHZFRCOJM-UHFFFAOYSA-N -1 3 397.456 3.173 20 0 GGADHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[O-])c2)C1 ZINC000014249884 570838012 /nfs/dbraw/zinc/83/80/12/570838012.db2.gz TXRIHSMXJOEAQI-GJZGRUSLSA-N -1 3 388.489 3.311 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(=O)[n-]1 ZINC000032854833 570855364 /nfs/dbraw/zinc/85/53/64/570855364.db2.gz LAWHSLUTNSHEAM-UHFFFAOYSA-N -1 3 383.448 3.390 20 0 GGADHM O=C(NC[C@@H](O)c1c(F)cccc1F)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000170602332 570861120 /nfs/dbraw/zinc/86/11/20/570861120.db2.gz AFUKVXFFLZQEDK-LJQANCHMSA-N -1 3 397.377 3.365 20 0 GGADHM O=S(=O)([N-]C1CCN(CCCOc2ccc(F)cc2)CC1)c1cccs1 ZINC000032865325 570862549 /nfs/dbraw/zinc/86/25/49/570862549.db2.gz HVVZPPNLAFNZNQ-UHFFFAOYSA-N -1 3 398.525 3.099 20 0 GGADHM Cc1c([O-])ccc2c(CN(C)Cc3ccccc3N3CCOCC3)cc(=O)oc12 ZINC000015038867 570873102 /nfs/dbraw/zinc/87/31/02/570873102.db2.gz QDYSIARNXPXYNP-UHFFFAOYSA-N -1 3 394.471 3.276 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1ccccc1C(F)(F)F ZINC000012569382 570873391 /nfs/dbraw/zinc/87/33/91/570873391.db2.gz HMIOLXCQHWYFBB-UHFFFAOYSA-N -1 3 395.406 3.429 20 0 GGADHM COc1cccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1[O-] ZINC000170620002 570876482 /nfs/dbraw/zinc/87/64/82/570876482.db2.gz INMDOIJONPLRSI-UHFFFAOYSA-N -1 3 383.444 3.414 20 0 GGADHM C[C@@]1(c2cccc(C(=O)Nc3nc(-c4cccs4)cs3)c2)NC(=O)[N-]C1=O ZINC000097019215 570886348 /nfs/dbraw/zinc/88/63/48/570886348.db2.gz LPSAMWCXJXKTQG-SFHVURJKSA-N -1 3 398.469 3.179 20 0 GGADHM O=C1[N-]C(=O)C(=CNCCc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000104225923 570898146 /nfs/dbraw/zinc/89/81/46/570898146.db2.gz FGXBEXWSADVGNI-WJDWOHSUSA-N -1 3 376.334 3.028 20 0 GGADHM CC(C)c1cnc(SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1C(C)C ZINC000735931952 598824319 /nfs/dbraw/zinc/82/43/19/598824319.db2.gz GYRKDCYOFXWALU-UHFFFAOYSA-N -1 3 399.524 3.176 20 0 GGADHM CC(C)c1cnc(SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1C(C)C ZINC000735931952 598824320 /nfs/dbraw/zinc/82/43/20/598824320.db2.gz GYRKDCYOFXWALU-UHFFFAOYSA-N -1 3 399.524 3.176 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000736178637 598826769 /nfs/dbraw/zinc/82/67/69/598826769.db2.gz BGAUZWVDGMCTFB-OPAMFIHVSA-N -1 3 391.475 3.214 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000736178637 598826770 /nfs/dbraw/zinc/82/67/70/598826770.db2.gz BGAUZWVDGMCTFB-OPAMFIHVSA-N -1 3 391.475 3.214 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc(-c2ccccc2)on1 ZINC000737523881 598826782 /nfs/dbraw/zinc/82/67/82/598826782.db2.gz KRMGPTBHEAQZNT-UHFFFAOYSA-N -1 3 384.403 3.137 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cc(-c2ccccc2)on1 ZINC000737523881 598826783 /nfs/dbraw/zinc/82/67/83/598826783.db2.gz KRMGPTBHEAQZNT-UHFFFAOYSA-N -1 3 384.403 3.137 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1cc(C)cc(C)c1 ZINC000737256728 598828216 /nfs/dbraw/zinc/82/82/16/598828216.db2.gz POJNZGCTMHUWTG-UHFFFAOYSA-N -1 3 375.436 3.129 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1cc(C)cc(C)c1 ZINC000737256728 598828218 /nfs/dbraw/zinc/82/82/18/598828218.db2.gz POJNZGCTMHUWTG-UHFFFAOYSA-N -1 3 375.436 3.129 20 0 GGADHM CSCCCCC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737182648 598829964 /nfs/dbraw/zinc/82/99/64/598829964.db2.gz PTFOWZZOELIZES-UHFFFAOYSA-N -1 3 388.522 3.386 20 0 GGADHM CSCCCCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737182648 598829966 /nfs/dbraw/zinc/82/99/66/598829966.db2.gz PTFOWZZOELIZES-UHFFFAOYSA-N -1 3 388.522 3.386 20 0 GGADHM CCCCSCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736463928 598831474 /nfs/dbraw/zinc/83/14/74/598831474.db2.gz SRDLRZMXMLFAKN-UHFFFAOYSA-N -1 3 389.525 3.160 20 0 GGADHM CCCCO[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736461168 598833720 /nfs/dbraw/zinc/83/37/20/598833720.db2.gz UHGBAGUZLGRFCO-ZDUSSCGKSA-N -1 3 385.493 3.417 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(c2cccc(Cl)c2)CC1 ZINC000737804158 598836191 /nfs/dbraw/zinc/83/61/91/598836191.db2.gz YPJNUGKBXKZZDC-HJWRWDBZSA-N -1 3 379.851 3.381 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(c2cccc(Cl)c2)CC1 ZINC000737804158 598836192 /nfs/dbraw/zinc/83/61/92/598836192.db2.gz YPJNUGKBXKZZDC-HJWRWDBZSA-N -1 3 379.851 3.381 20 0 GGADHM CC[C@H](c1ccncc1)N(CC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736398115 598839042 /nfs/dbraw/zinc/83/90/42/598839042.db2.gz XOCNHVQEAMGKAQ-QGZVFWFLSA-N -1 3 382.493 3.354 20 0 GGADHM CC[C@H](c1ccncc1)N(CC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736398115 598839044 /nfs/dbraw/zinc/83/90/44/598839044.db2.gz XOCNHVQEAMGKAQ-QGZVFWFLSA-N -1 3 382.493 3.354 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)Cc2ccccc2C)c1C ZINC000737422198 598839887 /nfs/dbraw/zinc/83/98/87/598839887.db2.gz LQVJVNWFOVDKPD-UHFFFAOYSA-N -1 3 387.447 3.159 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)[C@@H](C)C1 ZINC000736241436 598839918 /nfs/dbraw/zinc/83/99/18/598839918.db2.gz NJVDSFWRWNVXLG-VCBZYWHSSA-N -1 3 398.511 3.244 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)[C@@H](C)C1 ZINC000736241436 598839920 /nfs/dbraw/zinc/83/99/20/598839920.db2.gz NJVDSFWRWNVXLG-VCBZYWHSSA-N -1 3 398.511 3.244 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CSCCC(C)C)c1C ZINC000737503426 598840288 /nfs/dbraw/zinc/84/02/88/598840288.db2.gz JJEICNWUEWAGHX-UHFFFAOYSA-N -1 3 399.524 3.387 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cc(Cl)nc(Cl)c1 ZINC000737854047 598842579 /nfs/dbraw/zinc/84/25/79/598842579.db2.gz QITORRVYSFXKAX-UHFFFAOYSA-N -1 3 378.219 3.245 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)nc(Cl)c1 ZINC000737854047 598842581 /nfs/dbraw/zinc/84/25/81/598842581.db2.gz QITORRVYSFXKAX-UHFFFAOYSA-N -1 3 378.219 3.245 20 0 GGADHM C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1cccnc1 ZINC000736157778 598843326 /nfs/dbraw/zinc/84/33/26/598843326.db2.gz MJXJWJSLEDICAZ-CYBMUJFWSA-N -1 3 391.387 3.352 20 0 GGADHM C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1cccnc1 ZINC000736157778 598843328 /nfs/dbraw/zinc/84/33/28/598843328.db2.gz MJXJWJSLEDICAZ-CYBMUJFWSA-N -1 3 391.387 3.352 20 0 GGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)nc(Cl)c1 ZINC000738219296 598847203 /nfs/dbraw/zinc/84/72/03/598847203.db2.gz BBZHPVXUXDTCJP-UHFFFAOYSA-N -1 3 394.218 3.194 20 0 GGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cc(C2CC2)on1 ZINC000738112259 598847463 /nfs/dbraw/zinc/84/74/63/598847463.db2.gz NZUOVUXQSHOVQR-UHFFFAOYSA-N -1 3 392.444 3.391 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCc1cc2ccccc2o1 ZINC000737939697 598847623 /nfs/dbraw/zinc/84/76/23/598847623.db2.gz ANCUODZWNVHJCU-UHFFFAOYSA-N -1 3 379.445 3.064 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCc1cc2ccccc2o1 ZINC000737939697 598847624 /nfs/dbraw/zinc/84/76/24/598847624.db2.gz ANCUODZWNVHJCU-UHFFFAOYSA-N -1 3 379.445 3.064 20 0 GGADHM Cc1nc(SCC(=O)NCCCC(C)(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000737484661 598848845 /nfs/dbraw/zinc/84/88/45/598848845.db2.gz VOUXGGZRPOMILG-UHFFFAOYSA-N -1 3 376.530 3.222 20 0 GGADHM Cc1nc(SCC(=O)NCCCC(C)(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000737484661 598848847 /nfs/dbraw/zinc/84/88/47/598848847.db2.gz VOUXGGZRPOMILG-UHFFFAOYSA-N -1 3 376.530 3.222 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCC[C@H]1c1cccs1 ZINC000737526088 598850505 /nfs/dbraw/zinc/85/05/05/598850505.db2.gz VVKYGBTZIXOGGI-INIZCTEOSA-N -1 3 392.492 3.290 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCC[C@H]1c1cccs1 ZINC000737526088 598850508 /nfs/dbraw/zinc/85/05/08/598850508.db2.gz VVKYGBTZIXOGGI-INIZCTEOSA-N -1 3 392.492 3.290 20 0 GGADHM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@H](C)C1 ZINC000736243517 598852128 /nfs/dbraw/zinc/85/21/28/598852128.db2.gz VWZJZTRFJLNJNC-CKYFFXLPSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@H](C)C1 ZINC000736243517 598852130 /nfs/dbraw/zinc/85/21/30/598852130.db2.gz VWZJZTRFJLNJNC-CKYFFXLPSA-N -1 3 380.399 3.414 20 0 GGADHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738174492 598853371 /nfs/dbraw/zinc/85/33/71/598853371.db2.gz RYFQGKHKGGMLIX-OAHLLOKOSA-N -1 3 398.398 3.208 20 0 GGADHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738174492 598853373 /nfs/dbraw/zinc/85/33/73/598853373.db2.gz RYFQGKHKGGMLIX-OAHLLOKOSA-N -1 3 398.398 3.208 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccc(F)cc1Cl ZINC000736901604 598862379 /nfs/dbraw/zinc/86/23/79/598862379.db2.gz MSZXJCSEJSBLKR-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccc(F)cc1Cl ZINC000736901604 598862380 /nfs/dbraw/zinc/86/23/80/598862380.db2.gz MSZXJCSEJSBLKR-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736687227 598863404 /nfs/dbraw/zinc/86/34/04/598863404.db2.gz RPWBVYKMUXYAAX-FUHWJXTLSA-N -1 3 381.436 3.073 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736687227 598863405 /nfs/dbraw/zinc/86/34/05/598863405.db2.gz RPWBVYKMUXYAAX-FUHWJXTLSA-N -1 3 381.436 3.073 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000736130335 598866661 /nfs/dbraw/zinc/86/66/61/598866661.db2.gz LTMHUAHPCRINTH-LBPRGKRZSA-N -1 3 397.435 3.199 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000736130335 598866663 /nfs/dbraw/zinc/86/66/63/598866663.db2.gz LTMHUAHPCRINTH-LBPRGKRZSA-N -1 3 397.435 3.199 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736198104 598869208 /nfs/dbraw/zinc/86/92/08/598869208.db2.gz FTJCRRPNJXNVQF-SNVBAGLBSA-N -1 3 395.847 3.041 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736198104 598869209 /nfs/dbraw/zinc/86/92/09/598869209.db2.gz FTJCRRPNJXNVQF-SNVBAGLBSA-N -1 3 395.847 3.041 20 0 GGADHM Cc1nnc(NCc2ccnc(OC3CCC(C)CC3)c2)c(-c2nnn[n-]2)c1C ZINC000737531446 598870212 /nfs/dbraw/zinc/87/02/12/598870212.db2.gz BORCCTHQQQDNFF-UHFFFAOYSA-N -1 3 394.483 3.238 20 0 GGADHM Cc1nnc(NCc2ccnc(OC3CCC(C)CC3)c2)c(-c2nn[n-]n2)c1C ZINC000737531446 598870215 /nfs/dbraw/zinc/87/02/15/598870215.db2.gz BORCCTHQQQDNFF-UHFFFAOYSA-N -1 3 394.483 3.238 20 0 GGADHM O=C(CNc1ccc(Oc2ccccn2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737899459 598872636 /nfs/dbraw/zinc/87/26/36/598872636.db2.gz PZAYQWRXIMKJDK-UHFFFAOYSA-N -1 3 387.403 3.105 20 0 GGADHM O=C(CNc1ccc(Oc2ccccn2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737899459 598872638 /nfs/dbraw/zinc/87/26/38/598872638.db2.gz PZAYQWRXIMKJDK-UHFFFAOYSA-N -1 3 387.403 3.105 20 0 GGADHM Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737541253 598877316 /nfs/dbraw/zinc/87/73/16/598877316.db2.gz ZLFBZFVKZLSNSS-CYBMUJFWSA-N -1 3 397.483 3.400 20 0 GGADHM Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737541253 598877317 /nfs/dbraw/zinc/87/73/17/598877317.db2.gz ZLFBZFVKZLSNSS-CYBMUJFWSA-N -1 3 397.483 3.400 20 0 GGADHM COC(=O)[C@@H](NC[C@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894029 598879423 /nfs/dbraw/zinc/87/94/23/598879423.db2.gz FHBUVULPPLOWTH-OALUTQOASA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@@H](NC[C@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894029 598879424 /nfs/dbraw/zinc/87/94/24/598879424.db2.gz FHBUVULPPLOWTH-OALUTQOASA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@H](NC[C@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894031 598879455 /nfs/dbraw/zinc/87/94/55/598879455.db2.gz FHBUVULPPLOWTH-RBUKOAKNSA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@H](NC[C@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894031 598879456 /nfs/dbraw/zinc/87/94/56/598879456.db2.gz FHBUVULPPLOWTH-RBUKOAKNSA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897578 598880149 /nfs/dbraw/zinc/88/01/49/598880149.db2.gz SGJJTUYFBONNNY-HOTGVXAUSA-N -1 3 399.451 3.047 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897578 598880150 /nfs/dbraw/zinc/88/01/50/598880150.db2.gz SGJJTUYFBONNNY-HOTGVXAUSA-N -1 3 399.451 3.047 20 0 GGADHM COC(=O)[C@@H](NCC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898045 598881830 /nfs/dbraw/zinc/88/18/30/598881830.db2.gz SRLGBKNCEDCMHY-KRWDZBQOSA-N -1 3 399.882 3.302 20 0 GGADHM COC(=O)[C@@H](NCC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898045 598881831 /nfs/dbraw/zinc/88/18/31/598881831.db2.gz SRLGBKNCEDCMHY-KRWDZBQOSA-N -1 3 399.882 3.302 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000736037440 598882693 /nfs/dbraw/zinc/88/26/93/598882693.db2.gz LEZBNKCVQINQES-CQSZACIVSA-N -1 3 396.422 3.438 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000736037440 598882695 /nfs/dbraw/zinc/88/26/95/598882695.db2.gz LEZBNKCVQINQES-CQSZACIVSA-N -1 3 396.422 3.438 20 0 GGADHM COC(=O)[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894839 598882900 /nfs/dbraw/zinc/88/29/00/598882900.db2.gz DIMVRULWJXCZSC-SFHVURJKSA-N -1 3 379.464 3.168 20 0 GGADHM COC(=O)[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894839 598882901 /nfs/dbraw/zinc/88/29/01/598882901.db2.gz DIMVRULWJXCZSC-SFHVURJKSA-N -1 3 379.464 3.168 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1cccc(Cl)c1 ZINC000736038047 598884353 /nfs/dbraw/zinc/88/43/53/598884353.db2.gz RHACFGIVAABUDE-ZDUSSCGKSA-N -1 3 386.839 3.463 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1cccc(Cl)c1 ZINC000736038047 598884355 /nfs/dbraw/zinc/88/43/55/598884355.db2.gz RHACFGIVAABUDE-ZDUSSCGKSA-N -1 3 386.839 3.463 20 0 GGADHM CCOc1ccc(CCC(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736643113 598884911 /nfs/dbraw/zinc/88/49/11/598884911.db2.gz DJCRSQZCYHWKDT-HNNXBMFYSA-N -1 3 396.447 3.209 20 0 GGADHM CCOc1ccc(CCC(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736643113 598884912 /nfs/dbraw/zinc/88/49/12/598884912.db2.gz DJCRSQZCYHWKDT-HNNXBMFYSA-N -1 3 396.447 3.209 20 0 GGADHM CC(C)Oc1cccc(CC(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735914677 598885667 /nfs/dbraw/zinc/88/56/67/598885667.db2.gz YHPRGLGTBYKHSW-HNNXBMFYSA-N -1 3 396.447 3.207 20 0 GGADHM CC(C)Oc1cccc(CC(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735914677 598885669 /nfs/dbraw/zinc/88/56/69/598885669.db2.gz YHPRGLGTBYKHSW-HNNXBMFYSA-N -1 3 396.447 3.207 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2cccc(F)c2)CCC1 ZINC000736038994 598886424 /nfs/dbraw/zinc/88/64/24/598886424.db2.gz YMAOGAOVBXYJTJ-AWEZNQCLSA-N -1 3 396.422 3.438 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2cccc(F)c2)CCC1 ZINC000736038994 598886426 /nfs/dbraw/zinc/88/64/26/598886426.db2.gz YMAOGAOVBXYJTJ-AWEZNQCLSA-N -1 3 396.422 3.438 20 0 GGADHM Cc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1OCCC(C)C ZINC000737359360 598887005 /nfs/dbraw/zinc/88/70/05/598887005.db2.gz DGGONGVZGBLLLD-LJQANCHMSA-N -1 3 394.479 3.239 20 0 GGADHM Cc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1OCCC(C)C ZINC000737359360 598887007 /nfs/dbraw/zinc/88/70/07/598887007.db2.gz DGGONGVZGBLLLD-LJQANCHMSA-N -1 3 394.479 3.239 20 0 GGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735447979 598887361 /nfs/dbraw/zinc/88/73/61/598887361.db2.gz NJPJHPXNNFDFIS-JWAFFJSPSA-N -1 3 382.395 3.420 20 0 GGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735447979 598887363 /nfs/dbraw/zinc/88/73/63/598887363.db2.gz NJPJHPXNNFDFIS-JWAFFJSPSA-N -1 3 382.395 3.420 20 0 GGADHM O=C(NCCc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823223817 599295640 /nfs/dbraw/zinc/29/56/40/599295640.db2.gz KMQUOOIWOIAHEF-UHFFFAOYSA-N -1 3 382.371 3.311 20 0 GGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)Nc1cccnc1 ZINC000738111867 598889105 /nfs/dbraw/zinc/88/91/05/598889105.db2.gz MIFYZDQWDLPHOZ-UHFFFAOYSA-N -1 3 377.433 3.312 20 0 GGADHM Cc1ccc(SCC(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737369418 598890028 /nfs/dbraw/zinc/89/00/28/598890028.db2.gz TWFKWVLTPZONNO-AWEZNQCLSA-N -1 3 384.461 3.278 20 0 GGADHM Cc1ccc(SCC(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737369418 598890029 /nfs/dbraw/zinc/89/00/29/598890029.db2.gz TWFKWVLTPZONNO-AWEZNQCLSA-N -1 3 384.461 3.278 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737929974 598892432 /nfs/dbraw/zinc/89/24/32/598892432.db2.gz LGNYTEOABDDLJG-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737929974 598892434 /nfs/dbraw/zinc/89/24/34/598892434.db2.gz LGNYTEOABDDLJG-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM COC(=O)[C@@H](OC(=O)CCCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900641 598893839 /nfs/dbraw/zinc/89/38/39/598893839.db2.gz SYTFJRRMYXWLPJ-SFHVURJKSA-N -1 3 386.452 3.375 20 0 GGADHM COC(=O)[C@@H](OC(=O)CCCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900641 598893840 /nfs/dbraw/zinc/89/38/40/598893840.db2.gz SYTFJRRMYXWLPJ-SFHVURJKSA-N -1 3 386.452 3.375 20 0 GGADHM Cc1cc(NCCCc2nccs2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737279876 598896303 /nfs/dbraw/zinc/89/63/03/598896303.db2.gz FRJVHVPPMDMOMT-UHFFFAOYSA-N -1 3 390.476 3.477 20 0 GGADHM Cc1cc(NCCCc2nccs2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737279876 598896304 /nfs/dbraw/zinc/89/63/04/598896304.db2.gz FRJVHVPPMDMOMT-UHFFFAOYSA-N -1 3 390.476 3.477 20 0 GGADHM COC(=O)[C@H](OC(=O)c1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901965 598896920 /nfs/dbraw/zinc/89/69/20/598896920.db2.gz PWOYZDONNYNQII-MRXNPFEDSA-N -1 3 394.412 3.153 20 0 GGADHM COC(=O)[C@H](OC(=O)c1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901965 598896921 /nfs/dbraw/zinc/89/69/21/598896921.db2.gz PWOYZDONNYNQII-MRXNPFEDSA-N -1 3 394.412 3.153 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899208 598901368 /nfs/dbraw/zinc/90/13/68/598901368.db2.gz UPKGZBGXLHWFRK-AUUYWEPGSA-N -1 3 394.431 3.126 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899208 598901369 /nfs/dbraw/zinc/90/13/69/598901369.db2.gz UPKGZBGXLHWFRK-AUUYWEPGSA-N -1 3 394.431 3.126 20 0 GGADHM COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000736970111 598904926 /nfs/dbraw/zinc/90/49/26/598904926.db2.gz BHHIIGOGTHOMKZ-CQSZACIVSA-N -1 3 394.435 3.159 20 0 GGADHM COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000736970111 598904927 /nfs/dbraw/zinc/90/49/27/598904927.db2.gz BHHIIGOGTHOMKZ-CQSZACIVSA-N -1 3 394.435 3.159 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(COc2cccc(F)c2)c1 ZINC000738149682 598907111 /nfs/dbraw/zinc/90/71/11/598907111.db2.gz FWHVESKGOBIMFN-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(COc2cccc(F)c2)c1 ZINC000738149682 598907113 /nfs/dbraw/zinc/90/71/13/598907113.db2.gz FWHVESKGOBIMFN-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM CC(C)(C)c1cnc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000819966027 599296172 /nfs/dbraw/zinc/29/61/72/599296172.db2.gz SSPPNDMLLLPVRM-UHFFFAOYSA-N -1 3 375.433 3.082 20 0 GGADHM CC(C)(C)c1cnc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000819966027 599296175 /nfs/dbraw/zinc/29/61/75/599296175.db2.gz SSPPNDMLLLPVRM-UHFFFAOYSA-N -1 3 375.433 3.082 20 0 GGADHM CCCN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736472708 598911016 /nfs/dbraw/zinc/91/10/16/598911016.db2.gz RXSLRBNUTCVKIB-BMFZPTHFSA-N -1 3 386.525 3.089 20 0 GGADHM CCCN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736472708 598911018 /nfs/dbraw/zinc/91/10/18/598911018.db2.gz RXSLRBNUTCVKIB-BMFZPTHFSA-N -1 3 386.525 3.089 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737188957 598911435 /nfs/dbraw/zinc/91/14/35/598911435.db2.gz ALUPEHSYQGLFRM-STQMWFEESA-N -1 3 383.477 3.233 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737188957 598911437 /nfs/dbraw/zinc/91/14/37/598911437.db2.gz ALUPEHSYQGLFRM-STQMWFEESA-N -1 3 383.477 3.233 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000735923091 598912140 /nfs/dbraw/zinc/91/21/40/598912140.db2.gz KIFUWXRHZWTILL-ZIAGYGMSSA-N -1 3 395.492 3.035 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000735923091 598912142 /nfs/dbraw/zinc/91/21/42/598912142.db2.gz KIFUWXRHZWTILL-ZIAGYGMSSA-N -1 3 395.492 3.035 20 0 GGADHM Cc1cc(NC[C@](C)(O)c2ccccc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273569 598914417 /nfs/dbraw/zinc/91/44/17/598914417.db2.gz FKEJVAKSWHPUEO-QFIPXVFZSA-N -1 3 399.458 3.296 20 0 GGADHM Cc1cc(NC[C@](C)(O)c2ccccc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273569 598914420 /nfs/dbraw/zinc/91/44/20/598914420.db2.gz FKEJVAKSWHPUEO-QFIPXVFZSA-N -1 3 399.458 3.296 20 0 GGADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@H]1CCc2ccccc2C1 ZINC000736739876 598920505 /nfs/dbraw/zinc/92/05/05/598920505.db2.gz VZJIFIHREIJXFC-KRWDZBQOSA-N -1 3 393.495 3.444 20 0 GGADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@H]1CCc2ccccc2C1 ZINC000736739876 598920506 /nfs/dbraw/zinc/92/05/06/598920506.db2.gz VZJIFIHREIJXFC-KRWDZBQOSA-N -1 3 393.495 3.444 20 0 GGADHM O=C(OC[C@H]1CCCCO1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738220138 598927001 /nfs/dbraw/zinc/92/70/01/598927001.db2.gz PFQSSKHLWBCNCD-QGZVFWFLSA-N -1 3 394.431 3.172 20 0 GGADHM O=C(OC[C@H]1CCCCO1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738220138 598927003 /nfs/dbraw/zinc/92/70/03/598927003.db2.gz PFQSSKHLWBCNCD-QGZVFWFLSA-N -1 3 394.431 3.172 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736170912 598928740 /nfs/dbraw/zinc/92/87/40/598928740.db2.gz SQQTZAHTLZHYNE-VXGBXAGGSA-N -1 3 394.460 3.121 20 0 GGADHM COc1ccc(Nc2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000468257785 598930196 /nfs/dbraw/zinc/93/01/96/598930196.db2.gz WJENAUWOALEZKA-UHFFFAOYSA-N -1 3 393.432 3.328 20 0 GGADHM COc1ccc(Nc2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000468257785 598930198 /nfs/dbraw/zinc/93/01/98/598930198.db2.gz WJENAUWOALEZKA-UHFFFAOYSA-N -1 3 393.432 3.328 20 0 GGADHM Cc1ccccc1C1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000737420199 598932538 /nfs/dbraw/zinc/93/25/38/598932538.db2.gz CZUSAUAGEDDPNU-UHFFFAOYSA-N -1 3 397.504 3.052 20 0 GGADHM Cc1ccccc1C1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000737420199 598932540 /nfs/dbraw/zinc/93/25/40/598932540.db2.gz CZUSAUAGEDDPNU-UHFFFAOYSA-N -1 3 397.504 3.052 20 0 GGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)c1cccnc1 ZINC000736742115 598932662 /nfs/dbraw/zinc/93/26/62/598932662.db2.gz LPAIHBMQGHAQAA-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)c1cccnc1 ZINC000736742115 598932663 /nfs/dbraw/zinc/93/26/63/598932663.db2.gz LPAIHBMQGHAQAA-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737426498 598933539 /nfs/dbraw/zinc/93/35/39/598933539.db2.gz MZUXRNITNSDVLS-FUHWJXTLSA-N -1 3 391.475 3.176 20 0 GGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737426498 598933542 /nfs/dbraw/zinc/93/35/42/598933542.db2.gz MZUXRNITNSDVLS-FUHWJXTLSA-N -1 3 391.475 3.176 20 0 GGADHM COc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1N1CCCCC1=O ZINC000737107062 598937437 /nfs/dbraw/zinc/93/74/37/598937437.db2.gz ZTVDMGUMVXMJKN-UHFFFAOYSA-N -1 3 399.842 3.184 20 0 GGADHM COc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1N1CCCCC1=O ZINC000737107062 598937438 /nfs/dbraw/zinc/93/74/38/598937438.db2.gz ZTVDMGUMVXMJKN-UHFFFAOYSA-N -1 3 399.842 3.184 20 0 GGADHM CCSc1nnc(SCCOc2ccc(-c3nnn[n-]3)cc2OC)s1 ZINC000736668425 598937718 /nfs/dbraw/zinc/93/77/18/598937718.db2.gz XMZJSWRNZIWXOY-UHFFFAOYSA-N -1 3 396.523 3.010 20 0 GGADHM CCSc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2OC)s1 ZINC000736668425 598937719 /nfs/dbraw/zinc/93/77/19/598937719.db2.gz XMZJSWRNZIWXOY-UHFFFAOYSA-N -1 3 396.523 3.010 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nc2cc(C)ccc2o1 ZINC000737033590 598939879 /nfs/dbraw/zinc/93/98/79/598939879.db2.gz YEZSDJDCQZOBDK-UHFFFAOYSA-N -1 3 383.433 3.496 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nc2cc(C)ccc2o1 ZINC000737033590 598939880 /nfs/dbraw/zinc/93/98/80/598939880.db2.gz YEZSDJDCQZOBDK-UHFFFAOYSA-N -1 3 383.433 3.496 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1OCC1CC1 ZINC000736187779 598944577 /nfs/dbraw/zinc/94/45/77/598944577.db2.gz IYUMROUXUAYLSY-ZDUSSCGKSA-N -1 3 379.420 3.062 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1OCC1CC1 ZINC000736187779 598944579 /nfs/dbraw/zinc/94/45/79/598944579.db2.gz IYUMROUXUAYLSY-ZDUSSCGKSA-N -1 3 379.420 3.062 20 0 GGADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)C1CC1 ZINC000737789306 598944797 /nfs/dbraw/zinc/94/47/97/598944797.db2.gz BTSYHWRFQZMFSO-HXUWFJFHSA-N -1 3 388.475 3.027 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000736168557 598944825 /nfs/dbraw/zinc/94/48/25/598944825.db2.gz IOOJCXXZJLXBQG-LBPRGKRZSA-N -1 3 383.839 3.093 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000737300074 598948629 /nfs/dbraw/zinc/94/86/29/598948629.db2.gz WBGJKPSMTTWNFU-AWEZNQCLSA-N -1 3 393.472 3.368 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000737300074 598948632 /nfs/dbraw/zinc/94/86/32/598948632.db2.gz WBGJKPSMTTWNFU-AWEZNQCLSA-N -1 3 393.472 3.368 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000737296519 598949767 /nfs/dbraw/zinc/94/97/67/598949767.db2.gz JPGAFEBSGQEGFT-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000737296519 598949769 /nfs/dbraw/zinc/94/97/69/598949769.db2.gz JPGAFEBSGQEGFT-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000737297291 598951773 /nfs/dbraw/zinc/95/17/73/598951773.db2.gz HDTUYBIFIZRMBJ-QGZVFWFLSA-N -1 3 385.493 3.241 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000737297291 598951775 /nfs/dbraw/zinc/95/17/75/598951775.db2.gz HDTUYBIFIZRMBJ-QGZVFWFLSA-N -1 3 385.493 3.241 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000737298474 598953625 /nfs/dbraw/zinc/95/36/25/598953625.db2.gz KPUOCMDNNRFSOY-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000737298474 598953627 /nfs/dbraw/zinc/95/36/27/598953627.db2.gz KPUOCMDNNRFSOY-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM C[C@H](NC(=O)N[C@]1(C)CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110969 598965601 /nfs/dbraw/zinc/96/56/01/598965601.db2.gz CZJHBDLFXHXYJL-LHSJRXKWSA-N -1 3 376.464 3.479 20 0 GGADHM C[C@H](NC(=O)N[C@]1(C)CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110969 598965603 /nfs/dbraw/zinc/96/56/03/598965603.db2.gz CZJHBDLFXHXYJL-LHSJRXKWSA-N -1 3 376.464 3.479 20 0 GGADHM CC(C)(C)OCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735639118 598964285 /nfs/dbraw/zinc/96/42/85/598964285.db2.gz BAGHGLDOEBUNOY-UHFFFAOYSA-N -1 3 396.447 3.418 20 0 GGADHM CC(C)(C)OCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735639118 598964287 /nfs/dbraw/zinc/96/42/87/598964287.db2.gz BAGHGLDOEBUNOY-UHFFFAOYSA-N -1 3 396.447 3.418 20 0 GGADHM Fc1cc(NC[C@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822753587 607256082 /nfs/dbraw/zinc/25/60/82/607256082.db2.gz OMJWEABYEPVZFQ-OAHLLOKOSA-N -1 3 383.427 3.423 20 0 GGADHM Fc1cc(NC[C@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822753587 607256083 /nfs/dbraw/zinc/25/60/83/607256083.db2.gz OMJWEABYEPVZFQ-OAHLLOKOSA-N -1 3 383.427 3.423 20 0 GGADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736291369 598970324 /nfs/dbraw/zinc/97/03/24/598970324.db2.gz WBQZZDIQZQAJID-SMDDNHRTSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736291369 598970326 /nfs/dbraw/zinc/97/03/26/598970326.db2.gz WBQZZDIQZQAJID-SMDDNHRTSA-N -1 3 392.891 3.260 20 0 GGADHM CC(C)OCCCN(C)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000735896211 598971760 /nfs/dbraw/zinc/97/17/60/598971760.db2.gz MPIHXJKAPUUEFS-UHFFFAOYSA-N -1 3 392.410 3.268 20 0 GGADHM CC(C)OCCCN(C)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000735896211 598971761 /nfs/dbraw/zinc/97/17/61/598971761.db2.gz MPIHXJKAPUUEFS-UHFFFAOYSA-N -1 3 392.410 3.268 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCC2 ZINC000736610468 598977354 /nfs/dbraw/zinc/97/73/54/598977354.db2.gz HVAPHMKAUHNJOJ-KGLIPLIRSA-N -1 3 396.417 3.455 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCC2 ZINC000736610468 598977356 /nfs/dbraw/zinc/97/73/56/598977356.db2.gz HVAPHMKAUHNJOJ-KGLIPLIRSA-N -1 3 396.417 3.455 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1c(C)cc(Cl)cc1C ZINC000737226282 598994962 /nfs/dbraw/zinc/99/49/62/598994962.db2.gz TXZPWFGOPGQFPN-UHFFFAOYSA-N -1 3 378.841 3.213 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1c(C)cc(Cl)cc1C ZINC000737226282 598994963 /nfs/dbraw/zinc/99/49/63/598994963.db2.gz TXZPWFGOPGQFPN-UHFFFAOYSA-N -1 3 378.841 3.213 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000737222059 598995092 /nfs/dbraw/zinc/99/50/92/598995092.db2.gz UVEXUBKCMVADKO-HNNXBMFYSA-N -1 3 397.504 3.165 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000737222059 598995093 /nfs/dbraw/zinc/99/50/93/598995093.db2.gz UVEXUBKCMVADKO-HNNXBMFYSA-N -1 3 397.504 3.165 20 0 GGADHM CCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1C)[C@H](C)c1ccc(F)cc1 ZINC000821154091 607256891 /nfs/dbraw/zinc/25/68/91/607256891.db2.gz JEDQJDLMHPYDJM-CQSZACIVSA-N -1 3 382.443 3.336 20 0 GGADHM CCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1C)[C@H](C)c1ccc(F)cc1 ZINC000821154091 607256892 /nfs/dbraw/zinc/25/68/92/607256892.db2.gz JEDQJDLMHPYDJM-CQSZACIVSA-N -1 3 382.443 3.336 20 0 GGADHM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000737333278 598998368 /nfs/dbraw/zinc/99/83/68/598998368.db2.gz SQGWJJRGDIFLFQ-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000737333278 598998370 /nfs/dbraw/zinc/99/83/70/598998370.db2.gz SQGWJJRGDIFLFQ-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736397351 599001223 /nfs/dbraw/zinc/00/12/23/599001223.db2.gz SCIVGERQVQJAJS-KRWDZBQOSA-N -1 3 385.493 3.337 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736397351 599001225 /nfs/dbraw/zinc/00/12/25/599001225.db2.gz SCIVGERQVQJAJS-KRWDZBQOSA-N -1 3 385.493 3.337 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736558627 599001708 /nfs/dbraw/zinc/00/17/08/599001708.db2.gz OESGNYXPRAJNCD-UHFFFAOYSA-N -1 3 391.884 3.039 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736558627 599001710 /nfs/dbraw/zinc/00/17/10/599001710.db2.gz OESGNYXPRAJNCD-UHFFFAOYSA-N -1 3 391.884 3.039 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(c1ccc(Cl)cc1)C(C)C ZINC000737222057 599004742 /nfs/dbraw/zinc/00/47/42/599004742.db2.gz UTQRJZPPAKOZLI-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(c1ccc(Cl)cc1)C(C)C ZINC000737222057 599004743 /nfs/dbraw/zinc/00/47/43/599004743.db2.gz UTQRJZPPAKOZLI-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000737323178 599005974 /nfs/dbraw/zinc/00/59/74/599005974.db2.gz QAELQAAQXHJJKF-UHFFFAOYSA-N -1 3 385.493 3.396 20 0 GGADHM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737323178 599005975 /nfs/dbraw/zinc/00/59/75/599005975.db2.gz QAELQAAQXHJJKF-UHFFFAOYSA-N -1 3 385.493 3.396 20 0 GGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000737423306 599007540 /nfs/dbraw/zinc/00/75/40/599007540.db2.gz PDHYFBRJANDDDX-WBVHZDCISA-N -1 3 397.504 3.050 20 0 GGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000737423306 599007542 /nfs/dbraw/zinc/00/75/42/599007542.db2.gz PDHYFBRJANDDDX-WBVHZDCISA-N -1 3 397.504 3.050 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCCC[C@H]1c1ccco1 ZINC000737220471 599006689 /nfs/dbraw/zinc/00/66/89/599006689.db2.gz DTNPWMQFRFPAJO-HNNXBMFYSA-N -1 3 387.465 3.074 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCCC[C@H]1c1ccco1 ZINC000737220471 599006690 /nfs/dbraw/zinc/00/66/90/599006690.db2.gz DTNPWMQFRFPAJO-HNNXBMFYSA-N -1 3 387.465 3.074 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000737220473 599006814 /nfs/dbraw/zinc/00/68/14/599006814.db2.gz DTNPWMQFRFPAJO-OAHLLOKOSA-N -1 3 387.465 3.074 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000737220473 599006816 /nfs/dbraw/zinc/00/68/16/599006816.db2.gz DTNPWMQFRFPAJO-OAHLLOKOSA-N -1 3 387.465 3.074 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCOc1cccc(F)c1 ZINC000737032801 599009934 /nfs/dbraw/zinc/00/99/34/599009934.db2.gz OZWDUVYNBJBELB-UHFFFAOYSA-N -1 3 390.440 3.205 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCOc1cccc(F)c1 ZINC000737032801 599009936 /nfs/dbraw/zinc/00/99/36/599009936.db2.gz OZWDUVYNBJBELB-UHFFFAOYSA-N -1 3 390.440 3.205 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736395159 599013676 /nfs/dbraw/zinc/01/36/76/599013676.db2.gz ICOYIBZTXJSKMV-DOTOQJQBSA-N -1 3 398.511 3.388 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736268574 599017826 /nfs/dbraw/zinc/01/78/26/599017826.db2.gz YBHIKZDFTSLNAU-OAHLLOKOSA-N -1 3 377.448 3.318 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736268574 599017827 /nfs/dbraw/zinc/01/78/27/599017827.db2.gz YBHIKZDFTSLNAU-OAHLLOKOSA-N -1 3 377.448 3.318 20 0 GGADHM Cc1ccc(C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccn2)cc1 ZINC000737334907 599018127 /nfs/dbraw/zinc/01/81/27/599018127.db2.gz OTBYJNJJVQYFMV-HXUWFJFHSA-N -1 3 384.443 3.284 20 0 GGADHM Cc1ccc(C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC000737334907 599018129 /nfs/dbraw/zinc/01/81/29/599018129.db2.gz OTBYJNJJVQYFMV-HXUWFJFHSA-N -1 3 384.443 3.284 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736228605 599019343 /nfs/dbraw/zinc/01/93/43/599019343.db2.gz OKFQDQBILUILRR-QWHCGFSZSA-N -1 3 379.424 3.316 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000736616683 599019640 /nfs/dbraw/zinc/01/96/40/599019640.db2.gz OWZXJEUJBIKBIP-BMGDILEWSA-N -1 3 398.511 3.307 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000736616683 599019642 /nfs/dbraw/zinc/01/96/42/599019642.db2.gz OWZXJEUJBIKBIP-BMGDILEWSA-N -1 3 398.511 3.307 20 0 GGADHM CCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1C)[C@@H](C)c1ccc(F)cc1 ZINC000821154090 607257043 /nfs/dbraw/zinc/25/70/43/607257043.db2.gz JEDQJDLMHPYDJM-AWEZNQCLSA-N -1 3 382.443 3.336 20 0 GGADHM CCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1C)[C@@H](C)c1ccc(F)cc1 ZINC000821154090 607257044 /nfs/dbraw/zinc/25/70/44/607257044.db2.gz JEDQJDLMHPYDJM-AWEZNQCLSA-N -1 3 382.443 3.336 20 0 GGADHM C[C@H]1CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000736290367 599029793 /nfs/dbraw/zinc/02/97/93/599029793.db2.gz IKQHSIGPYVZSBD-AWEZNQCLSA-N -1 3 395.488 3.023 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccncc1F ZINC000738187836 599035408 /nfs/dbraw/zinc/03/54/08/599035408.db2.gz YHCUGWZLSSYTPL-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccncc1F ZINC000738187836 599035410 /nfs/dbraw/zinc/03/54/10/599035410.db2.gz YHCUGWZLSSYTPL-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM C[C@@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000820768586 599036190 /nfs/dbraw/zinc/03/61/90/599036190.db2.gz OKZRJPAEDLMDJH-HWPZZCPQSA-N -1 3 375.354 3.250 20 0 GGADHM C[C@@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000820768586 599036192 /nfs/dbraw/zinc/03/61/92/599036192.db2.gz OKZRJPAEDLMDJH-HWPZZCPQSA-N -1 3 375.354 3.250 20 0 GGADHM FC(F)Oc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737639116 599042524 /nfs/dbraw/zinc/04/25/24/599042524.db2.gz ONBQKFZPYVEYGX-UHFFFAOYSA-N -1 3 386.284 3.494 20 0 GGADHM FC(F)Oc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737639116 599042527 /nfs/dbraw/zinc/04/25/27/599042527.db2.gz ONBQKFZPYVEYGX-UHFFFAOYSA-N -1 3 386.284 3.494 20 0 GGADHM Oc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000738397945 599043294 /nfs/dbraw/zinc/04/32/94/599043294.db2.gz RPEAKCZJAAQADM-UHFFFAOYSA-N -1 3 388.353 3.280 20 0 GGADHM Oc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000738397945 599043296 /nfs/dbraw/zinc/04/32/96/599043296.db2.gz RPEAKCZJAAQADM-UHFFFAOYSA-N -1 3 388.353 3.280 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737398985 599044416 /nfs/dbraw/zinc/04/44/16/599044416.db2.gz GWNKGQWNBYYGOC-KTKRTIGZSA-N -1 3 388.475 3.291 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737398985 599044418 /nfs/dbraw/zinc/04/44/18/599044418.db2.gz GWNKGQWNBYYGOC-KTKRTIGZSA-N -1 3 388.475 3.291 20 0 GGADHM Cc1cc(-c2cccc(F)c2)nnc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822130773 599048174 /nfs/dbraw/zinc/04/81/74/599048174.db2.gz YKHWIHLZDZMMRZ-UHFFFAOYSA-N -1 3 391.410 3.262 20 0 GGADHM C[C@@H]1Cc2ccccc2N1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736300612 599048298 /nfs/dbraw/zinc/04/82/98/599048298.db2.gz ZNAADTWHCDTUNR-LLVKDONJSA-N -1 3 389.385 3.144 20 0 GGADHM C[C@@H]1Cc2ccccc2N1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736300612 599048301 /nfs/dbraw/zinc/04/83/01/599048301.db2.gz ZNAADTWHCDTUNR-LLVKDONJSA-N -1 3 389.385 3.144 20 0 GGADHM Cc1csc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000737454917 599051264 /nfs/dbraw/zinc/05/12/64/599051264.db2.gz JJVLZZHYQPEVMS-JTQLQIEISA-N -1 3 381.387 3.387 20 0 GGADHM Cc1csc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000737454917 599051266 /nfs/dbraw/zinc/05/12/66/599051266.db2.gz JJVLZZHYQPEVMS-JTQLQIEISA-N -1 3 381.387 3.387 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737400476 599053105 /nfs/dbraw/zinc/05/31/05/599053105.db2.gz UPKUPOTVBXFWPC-UHFFFAOYSA-N -1 3 377.452 3.284 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737400476 599053108 /nfs/dbraw/zinc/05/31/08/599053108.db2.gz UPKUPOTVBXFWPC-UHFFFAOYSA-N -1 3 377.452 3.284 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCCO[C@H](c3ccccc3)C2)n1 ZINC000737633325 599055418 /nfs/dbraw/zinc/05/54/18/599055418.db2.gz QJLJBIAGWBBLSE-AWEZNQCLSA-N -1 3 390.369 3.249 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCCO[C@H](c3ccccc3)C2)n1 ZINC000737633325 599055421 /nfs/dbraw/zinc/05/54/21/599055421.db2.gz QJLJBIAGWBBLSE-AWEZNQCLSA-N -1 3 390.369 3.249 20 0 GGADHM C[C@H](CCc1cccn1C)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000820252484 599054716 /nfs/dbraw/zinc/05/47/16/599054716.db2.gz AVQBSNADSMWGOW-LLVKDONJSA-N -1 3 399.861 3.401 20 0 GGADHM C[C@H](CCc1cccn1C)Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000820252484 599054719 /nfs/dbraw/zinc/05/47/19/599054719.db2.gz AVQBSNADSMWGOW-LLVKDONJSA-N -1 3 399.861 3.401 20 0 GGADHM Fc1cccc([C@H]2CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)c1 ZINC000737666431 599055278 /nfs/dbraw/zinc/05/52/78/599055278.db2.gz LDSYYLTVVGMZNV-NSHDSACASA-N -1 3 378.333 3.414 20 0 GGADHM Fc1cccc([C@H]2CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)c1 ZINC000737666431 599055281 /nfs/dbraw/zinc/05/52/81/599055281.db2.gz LDSYYLTVVGMZNV-NSHDSACASA-N -1 3 378.333 3.414 20 0 GGADHM CCOc1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)ccc1OC ZINC000736625674 599056136 /nfs/dbraw/zinc/05/61/36/599056136.db2.gz NPIAPBARKIIBAT-UHFFFAOYSA-N -1 3 394.357 3.300 20 0 GGADHM CCOc1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)ccc1OC ZINC000736625674 599056138 /nfs/dbraw/zinc/05/61/38/599056138.db2.gz NPIAPBARKIIBAT-UHFFFAOYSA-N -1 3 394.357 3.300 20 0 GGADHM COc1cccc(C[C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737128450 599056831 /nfs/dbraw/zinc/05/68/31/599056831.db2.gz DXSOKKJOQVMUGI-SNVBAGLBSA-N -1 3 378.358 3.332 20 0 GGADHM COc1cccc(C[C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737128450 599056833 /nfs/dbraw/zinc/05/68/33/599056833.db2.gz DXSOKKJOQVMUGI-SNVBAGLBSA-N -1 3 378.358 3.332 20 0 GGADHM COc1cccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000821873079 599062880 /nfs/dbraw/zinc/06/28/80/599062880.db2.gz QVVGDBRUVJZGKO-JTQLQIEISA-N -1 3 394.357 3.169 20 0 GGADHM COc1cccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000821873079 599062882 /nfs/dbraw/zinc/06/28/82/599062882.db2.gz QVVGDBRUVJZGKO-JTQLQIEISA-N -1 3 394.357 3.169 20 0 GGADHM Cc1ccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000822259237 599065953 /nfs/dbraw/zinc/06/59/53/599065953.db2.gz QHIXJIIIYYZSTI-NSHDSACASA-N -1 3 378.358 3.468 20 0 GGADHM Cc1ccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000822259237 599065956 /nfs/dbraw/zinc/06/59/56/599065956.db2.gz QHIXJIIIYYZSTI-NSHDSACASA-N -1 3 378.358 3.468 20 0 GGADHM Fc1ccc(-n2ccc(CCNc3ccc(-c4nnn[n-]4)c(Cl)c3)n2)cc1 ZINC000822762179 599069676 /nfs/dbraw/zinc/06/96/76/599069676.db2.gz ZHOZPNYHSBKZFN-UHFFFAOYSA-N -1 3 383.818 3.500 20 0 GGADHM Fc1ccc(-n2ccc(CCNc3ccc(-c4nn[n-]n4)c(Cl)c3)n2)cc1 ZINC000822762179 599069679 /nfs/dbraw/zinc/06/96/79/599069679.db2.gz ZHOZPNYHSBKZFN-UHFFFAOYSA-N -1 3 383.818 3.500 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000735654927 599069925 /nfs/dbraw/zinc/06/99/25/599069925.db2.gz LCGMVUVBEFTANO-STQMWFEESA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000735654927 599069928 /nfs/dbraw/zinc/06/99/28/599069928.db2.gz LCGMVUVBEFTANO-STQMWFEESA-N -1 3 386.406 3.444 20 0 GGADHM Cc1nc2sc3c(c2c(NCc2cc(-c4nnn[n-]4)ccc2F)n1)CCC3 ZINC000822453282 599070584 /nfs/dbraw/zinc/07/05/84/599070584.db2.gz HJTPGTUNFPPUOS-UHFFFAOYSA-N -1 3 381.440 3.420 20 0 GGADHM Cc1nc2sc3c(c2c(NCc2cc(-c4nn[n-]n4)ccc2F)n1)CCC3 ZINC000822453282 599070587 /nfs/dbraw/zinc/07/05/87/599070587.db2.gz HJTPGTUNFPPUOS-UHFFFAOYSA-N -1 3 381.440 3.420 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000821347605 599072186 /nfs/dbraw/zinc/07/21/86/599072186.db2.gz YKXGFOGUELPIQY-VIFPVBQESA-N -1 3 379.877 3.106 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821347605 599072187 /nfs/dbraw/zinc/07/21/87/599072187.db2.gz YKXGFOGUELPIQY-VIFPVBQESA-N -1 3 379.877 3.106 20 0 GGADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000736359194 599077118 /nfs/dbraw/zinc/07/71/18/599077118.db2.gz YQEBFCQRZSCAKU-GOSISDBHSA-N -1 3 380.452 3.078 20 0 GGADHM Cc1cccc2c(CCC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c[nH]c21 ZINC000737408699 599074782 /nfs/dbraw/zinc/07/47/82/599074782.db2.gz KIGCSYNDACMMTD-UHFFFAOYSA-N -1 3 378.411 3.391 20 0 GGADHM Cc1cccc2c(CCC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c[nH]c21 ZINC000737408699 599074785 /nfs/dbraw/zinc/07/47/85/599074785.db2.gz KIGCSYNDACMMTD-UHFFFAOYSA-N -1 3 378.411 3.391 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3OCCc4sccc43)c2c1 ZINC000822195434 599075702 /nfs/dbraw/zinc/07/57/02/599075702.db2.gz RLOGLIRMEONWSX-INIZCTEOSA-N -1 3 392.488 3.241 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3OCCc4sccc43)c2c1 ZINC000822195434 599075705 /nfs/dbraw/zinc/07/57/05/599075705.db2.gz RLOGLIRMEONWSX-INIZCTEOSA-N -1 3 392.488 3.241 20 0 GGADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000736359194 599077115 /nfs/dbraw/zinc/07/71/15/599077115.db2.gz YQEBFCQRZSCAKU-GOSISDBHSA-N -1 3 380.452 3.078 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H]2CCC[C@@H](C)C2)c1C ZINC000737503991 599077958 /nfs/dbraw/zinc/07/79/58/599077958.db2.gz RCGFSRRTKOWOEX-WBMJQRKESA-N -1 3 379.468 3.434 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328138 599082605 /nfs/dbraw/zinc/08/26/05/599082605.db2.gz CQWYGLDHNRHICY-YOEHRIQHSA-N -1 3 381.436 3.289 20 0 GGADHM NC(=O)[C@H](Nc1ccc2oc3ccccc3c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737362 599085495 /nfs/dbraw/zinc/08/54/95/599085495.db2.gz QJEIYBMQCPLHCT-LJQANCHMSA-N -1 3 384.399 3.405 20 0 GGADHM NC(=O)[C@H](Nc1ccc2oc3ccccc3c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737362 599085498 /nfs/dbraw/zinc/08/54/98/599085498.db2.gz QJEIYBMQCPLHCT-LJQANCHMSA-N -1 3 384.399 3.405 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737073733 599090040 /nfs/dbraw/zinc/09/00/40/599090040.db2.gz SNIGQKGLDLXBMJ-HMVFGEFZSA-N -1 3 377.448 3.199 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737073733 599090043 /nfs/dbraw/zinc/09/00/43/599090043.db2.gz SNIGQKGLDLXBMJ-HMVFGEFZSA-N -1 3 377.448 3.199 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000735736967 599090210 /nfs/dbraw/zinc/09/02/10/599090210.db2.gz XSSZJGWPGFDMSJ-HQRMLTQVSA-N -1 3 391.475 3.018 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000735736967 599090213 /nfs/dbraw/zinc/09/02/13/599090213.db2.gz XSSZJGWPGFDMSJ-HQRMLTQVSA-N -1 3 391.475 3.018 20 0 GGADHM CO[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1cccc(Cl)c1 ZINC000821677161 599090465 /nfs/dbraw/zinc/09/04/65/599090465.db2.gz PWZTVBBBTQTLBP-KRWDZBQOSA-N -1 3 380.839 3.290 20 0 GGADHM CO[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1cccc(Cl)c1 ZINC000821677161 599090467 /nfs/dbraw/zinc/09/04/67/599090467.db2.gz PWZTVBBBTQTLBP-KRWDZBQOSA-N -1 3 380.839 3.290 20 0 GGADHM Cn1ccnc1C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000822698672 599091046 /nfs/dbraw/zinc/09/10/46/599091046.db2.gz AMMRERJKJQSLPM-NSHDSACASA-N -1 3 386.872 3.106 20 0 GGADHM Cn1ccnc1C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000822698672 599091048 /nfs/dbraw/zinc/09/10/48/599091048.db2.gz AMMRERJKJQSLPM-NSHDSACASA-N -1 3 386.872 3.106 20 0 GGADHM C[C@@H]1Cc2ccccc2CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736300588 599094059 /nfs/dbraw/zinc/09/40/59/599094059.db2.gz ZBGXGAXDFIOQAN-MRXNPFEDSA-N -1 3 391.475 3.389 20 0 GGADHM C[C@@H]1Cc2ccccc2CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736300588 599094062 /nfs/dbraw/zinc/09/40/62/599094062.db2.gz ZBGXGAXDFIOQAN-MRXNPFEDSA-N -1 3 391.475 3.389 20 0 GGADHM O=C1C[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000823521223 599096493 /nfs/dbraw/zinc/09/64/93/599096493.db2.gz SQPLFDNSBYFSRD-MPGHIAIKSA-N -1 3 394.866 3.089 20 0 GGADHM O=C1C[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000823521223 599096496 /nfs/dbraw/zinc/09/64/96/599096496.db2.gz SQPLFDNSBYFSRD-MPGHIAIKSA-N -1 3 394.866 3.089 20 0 GGADHM CC(C)[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820045579 599097676 /nfs/dbraw/zinc/09/76/76/599097676.db2.gz NYASTCYCYSIZGI-ZDUSSCGKSA-N -1 3 376.436 3.271 20 0 GGADHM CC(C)[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCS1 ZINC000820045579 599097680 /nfs/dbraw/zinc/09/76/80/599097680.db2.gz NYASTCYCYSIZGI-ZDUSSCGKSA-N -1 3 376.436 3.271 20 0 GGADHM c1cc(NCc2ccc(-c3nnn[n-]3)cc2)cc(-c2nnc3n2CCCCC3)c1 ZINC000738419895 599099001 /nfs/dbraw/zinc/09/90/01/599099001.db2.gz SJZUCDPPPORONO-UHFFFAOYSA-N -1 3 386.463 3.464 20 0 GGADHM c1cc(NCc2ccc(-c3nn[n-]n3)cc2)cc(-c2nnc3n2CCCCC3)c1 ZINC000738419895 599099005 /nfs/dbraw/zinc/09/90/05/599099005.db2.gz SJZUCDPPPORONO-UHFFFAOYSA-N -1 3 386.463 3.464 20 0 GGADHM CCO[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCC2 ZINC000821358183 599101267 /nfs/dbraw/zinc/10/12/67/599101267.db2.gz HZBDUYMXBLKCAV-STQMWFEESA-N -1 3 382.390 3.430 20 0 GGADHM CCO[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCC2 ZINC000821358183 599101269 /nfs/dbraw/zinc/10/12/69/599101269.db2.gz HZBDUYMXBLKCAV-STQMWFEESA-N -1 3 382.390 3.430 20 0 GGADHM CC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736356582 599102534 /nfs/dbraw/zinc/10/25/34/599102534.db2.gz FMAJJDRGGKCMNY-GOSISDBHSA-N -1 3 378.480 3.151 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737437021 599104849 /nfs/dbraw/zinc/10/48/49/599104849.db2.gz VIVYQBWUDDJVPO-RHSMWYFYSA-N -1 3 379.468 3.328 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737437021 599104850 /nfs/dbraw/zinc/10/48/50/599104850.db2.gz VIVYQBWUDDJVPO-RHSMWYFYSA-N -1 3 379.468 3.328 20 0 GGADHM C[S@@](=O)Cc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000737171858 599105252 /nfs/dbraw/zinc/10/52/52/599105252.db2.gz DRTRPIMFEQYVFU-AREMUKBSSA-N -1 3 390.856 3.043 20 0 GGADHM C[S@@](=O)Cc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000737171858 599105253 /nfs/dbraw/zinc/10/52/53/599105253.db2.gz DRTRPIMFEQYVFU-AREMUKBSSA-N -1 3 390.856 3.043 20 0 GGADHM COCCN(C(=O)CCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988421 599115315 /nfs/dbraw/zinc/11/53/15/599115315.db2.gz LSDOAUBVAWSYHT-UHFFFAOYSA-N -1 3 385.855 3.132 20 0 GGADHM COCCN(C(=O)CCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988421 599115318 /nfs/dbraw/zinc/11/53/18/599115318.db2.gz LSDOAUBVAWSYHT-UHFFFAOYSA-N -1 3 385.855 3.132 20 0 GGADHM CCO[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C12CCC2 ZINC000736614921 599119389 /nfs/dbraw/zinc/11/93/89/599119389.db2.gz WHDABRMZEVWMEC-HZPDHXFCSA-N -1 3 382.443 3.044 20 0 GGADHM CCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C12CCC2 ZINC000736614921 599119391 /nfs/dbraw/zinc/11/93/91/599119391.db2.gz WHDABRMZEVWMEC-HZPDHXFCSA-N -1 3 382.443 3.044 20 0 GGADHM CCO[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C12CCC2 ZINC000736614913 599119480 /nfs/dbraw/zinc/11/94/80/599119480.db2.gz WHDABRMZEVWMEC-CVEARBPZSA-N -1 3 382.443 3.044 20 0 GGADHM CCO[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C12CCC2 ZINC000736614913 599119482 /nfs/dbraw/zinc/11/94/82/599119482.db2.gz WHDABRMZEVWMEC-CVEARBPZSA-N -1 3 382.443 3.044 20 0 GGADHM O=C(Nc1cccc2nccn21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738184252 599118181 /nfs/dbraw/zinc/11/81/81/599118181.db2.gz NJDSPLRTNLQRMQ-UHFFFAOYSA-N -1 3 381.399 3.434 20 0 GGADHM O=C(Nc1cccc2nccn21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738184252 599118183 /nfs/dbraw/zinc/11/81/83/599118183.db2.gz NJDSPLRTNLQRMQ-UHFFFAOYSA-N -1 3 381.399 3.434 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(c2ccc(F)cc2)CC1 ZINC000737409401 599122025 /nfs/dbraw/zinc/12/20/25/599122025.db2.gz NSXXMDNBUBWOFG-UHFFFAOYSA-N -1 3 389.438 3.189 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(c2ccc(F)cc2)CC1 ZINC000737409401 599122026 /nfs/dbraw/zinc/12/20/26/599122026.db2.gz NSXXMDNBUBWOFG-UHFFFAOYSA-N -1 3 389.438 3.189 20 0 GGADHM C[C@H](c1nc(Cc2ccccc2)no1)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736202127 599129764 /nfs/dbraw/zinc/12/97/64/599129764.db2.gz GVJMIRMJXXTAIC-CQSZACIVSA-N -1 3 375.436 3.034 20 0 GGADHM C[C@H](c1nc(Cc2ccccc2)no1)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736202127 599129768 /nfs/dbraw/zinc/12/97/68/599129768.db2.gz GVJMIRMJXXTAIC-CQSZACIVSA-N -1 3 375.436 3.034 20 0 GGADHM Cc1cc(COC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)on1 ZINC000737265075 599130295 /nfs/dbraw/zinc/13/02/95/599130295.db2.gz SIOKSCCKPGMOHR-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM C[C@@H](c1nc(Cc2ccccc2)no1)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736205120 599130458 /nfs/dbraw/zinc/13/04/58/599130458.db2.gz XXAYPMOJIZUBSV-AWEZNQCLSA-N -1 3 375.436 3.034 20 0 GGADHM C[C@@H](c1nc(Cc2ccccc2)no1)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736205120 599130459 /nfs/dbraw/zinc/13/04/59/599130459.db2.gz XXAYPMOJIZUBSV-AWEZNQCLSA-N -1 3 375.436 3.034 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000821699306 599134488 /nfs/dbraw/zinc/13/44/88/599134488.db2.gz KSCCFWIKNDEZHT-UHFFFAOYSA-N -1 3 398.448 3.166 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000821699306 599134490 /nfs/dbraw/zinc/13/44/90/599134490.db2.gz KSCCFWIKNDEZHT-UHFFFAOYSA-N -1 3 398.448 3.166 20 0 GGADHM Cc1ccc([C@H]2CCCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737332446 599140040 /nfs/dbraw/zinc/14/00/40/599140040.db2.gz WNYFLHFSRFADGY-MRXNPFEDSA-N -1 3 382.493 3.402 20 0 GGADHM Cc1ccc([C@H]2CCCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737332446 599140042 /nfs/dbraw/zinc/14/00/42/599140042.db2.gz WNYFLHFSRFADGY-MRXNPFEDSA-N -1 3 382.493 3.402 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCCN(c2ccccc2)C1 ZINC000738151428 599146029 /nfs/dbraw/zinc/14/60/29/599146029.db2.gz IEQVKLJLQQYAPX-AWEZNQCLSA-N -1 3 397.870 3.311 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCCN(c2ccccc2)C1 ZINC000738151428 599146030 /nfs/dbraw/zinc/14/60/30/599146030.db2.gz IEQVKLJLQQYAPX-AWEZNQCLSA-N -1 3 397.870 3.311 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000737293037 599146326 /nfs/dbraw/zinc/14/63/26/599146326.db2.gz YWBJGYBLLZMLAV-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000737293037 599146329 /nfs/dbraw/zinc/14/63/29/599146329.db2.gz YWBJGYBLLZMLAV-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821570920 599146749 /nfs/dbraw/zinc/14/67/49/599146749.db2.gz QSRZPFRGLJWWLM-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821570920 599146751 /nfs/dbraw/zinc/14/67/51/599146751.db2.gz QSRZPFRGLJWWLM-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM C[C@H](CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000735977641 599148257 /nfs/dbraw/zinc/14/82/57/599148257.db2.gz PXHOCQIOQFECQZ-CYBMUJFWSA-N -1 3 390.403 3.154 20 0 GGADHM C[C@H](CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000735977641 599148258 /nfs/dbraw/zinc/14/82/58/599148258.db2.gz PXHOCQIOQFECQZ-CYBMUJFWSA-N -1 3 390.403 3.154 20 0 GGADHM COCc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000821694979 599153129 /nfs/dbraw/zinc/15/31/29/599153129.db2.gz CTHFDBRONOVAQZ-UHFFFAOYSA-N -1 3 392.375 3.046 20 0 GGADHM COCc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000821694979 599153132 /nfs/dbraw/zinc/15/31/32/599153132.db2.gz CTHFDBRONOVAQZ-UHFFFAOYSA-N -1 3 392.375 3.046 20 0 GGADHM O=C(OCc1ccoc1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738233798 599153464 /nfs/dbraw/zinc/15/34/64/599153464.db2.gz GZRHGFAOYNKJTQ-UHFFFAOYSA-N -1 3 376.372 3.396 20 0 GGADHM O=C(OCc1ccoc1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738233798 599153466 /nfs/dbraw/zinc/15/34/66/599153466.db2.gz GZRHGFAOYNKJTQ-UHFFFAOYSA-N -1 3 376.372 3.396 20 0 GGADHM Cc1ccc(N2CC[C@H](Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)C2=O)cc1 ZINC000822241388 599156063 /nfs/dbraw/zinc/15/60/63/599156063.db2.gz UOHAQDDMKBRGRX-KRWDZBQOSA-N -1 3 392.463 3.180 20 0 GGADHM Cc1ccc(N2CC[C@H](Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)C2=O)cc1 ZINC000822241388 599156066 /nfs/dbraw/zinc/15/60/66/599156066.db2.gz UOHAQDDMKBRGRX-KRWDZBQOSA-N -1 3 392.463 3.180 20 0 GGADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821001183 599157727 /nfs/dbraw/zinc/15/77/27/599157727.db2.gz PQYFPOZCGJCLKW-AUUYWEPGSA-N -1 3 392.463 3.250 20 0 GGADHM O=C([C@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737787119 599161617 /nfs/dbraw/zinc/16/16/17/599161617.db2.gz WWRBDJKJNUIIPY-CVEARBPZSA-N -1 3 395.413 3.440 20 0 GGADHM O=C([C@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737787119 599161618 /nfs/dbraw/zinc/16/16/18/599161618.db2.gz WWRBDJKJNUIIPY-CVEARBPZSA-N -1 3 395.413 3.440 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC000822210442 599164835 /nfs/dbraw/zinc/16/48/35/599164835.db2.gz BNRJDAQLLQOYAX-NSHDSACASA-N -1 3 389.818 3.051 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC000822210442 599164838 /nfs/dbraw/zinc/16/48/38/599164838.db2.gz BNRJDAQLLQOYAX-NSHDSACASA-N -1 3 389.818 3.051 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)NCCc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000737188639 599166350 /nfs/dbraw/zinc/16/63/50/599166350.db2.gz CVUMTWAVUCUZFR-UHFFFAOYSA-N -1 3 394.504 3.142 20 0 GGADHM CC(C)Oc1ccc([C@H](O)CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000735914734 599170543 /nfs/dbraw/zinc/17/05/43/599170543.db2.gz IPXQOFRPMCYJCG-MRXNPFEDSA-N -1 3 375.379 3.078 20 0 GGADHM CC(C)Oc1ccc([C@H](O)CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000735914734 599170544 /nfs/dbraw/zinc/17/05/44/599170544.db2.gz IPXQOFRPMCYJCG-MRXNPFEDSA-N -1 3 375.379 3.078 20 0 GGADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)C2CC2)o1 ZINC000737336860 599171135 /nfs/dbraw/zinc/17/11/35/599171135.db2.gz IHUVXIDFSGOKAJ-UHFFFAOYSA-N -1 3 387.440 3.191 20 0 GGADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)C2CC2)o1 ZINC000737336860 599171138 /nfs/dbraw/zinc/17/11/38/599171138.db2.gz IHUVXIDFSGOKAJ-UHFFFAOYSA-N -1 3 387.440 3.191 20 0 GGADHM CC(C)Oc1ccc(NC(=S)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735912661 599173094 /nfs/dbraw/zinc/17/30/94/599173094.db2.gz HTCMMLJQQYQQSO-UHFFFAOYSA-N -1 3 398.492 3.019 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1csc(-c2ccccc2)n1 ZINC000823242366 599175248 /nfs/dbraw/zinc/17/52/48/599175248.db2.gz WIHPNOFJUORMTF-UHFFFAOYSA-N -1 3 380.408 3.059 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1csc(-c2ccccc2)n1 ZINC000823242366 599175250 /nfs/dbraw/zinc/17/52/50/599175250.db2.gz WIHPNOFJUORMTF-UHFFFAOYSA-N -1 3 380.408 3.059 20 0 GGADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822423822 599177033 /nfs/dbraw/zinc/17/70/33/599177033.db2.gz PKBDMYCFMJSKEA-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822423822 599177034 /nfs/dbraw/zinc/17/70/34/599177034.db2.gz PKBDMYCFMJSKEA-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000460686645 599177082 /nfs/dbraw/zinc/17/70/82/599177082.db2.gz GBMRNZYXFVRAAY-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000460686645 599177084 /nfs/dbraw/zinc/17/70/84/599177084.db2.gz GBMRNZYXFVRAAY-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM COCCCOc1cccc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000736987586 599178172 /nfs/dbraw/zinc/17/81/72/599178172.db2.gz JRPDPMMGHHQNJX-UHFFFAOYSA-N -1 3 387.465 3.213 20 0 GGADHM COCCCOc1cccc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000736987586 599178174 /nfs/dbraw/zinc/17/81/74/599178174.db2.gz JRPDPMMGHHQNJX-UHFFFAOYSA-N -1 3 387.465 3.213 20 0 GGADHM Cc1nc(-c2cccc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)c2)cs1 ZINC000822418956 599178837 /nfs/dbraw/zinc/17/88/37/599178837.db2.gz KIORVYXKHPFFEI-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM Cc1nc(-c2cccc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)c2)cs1 ZINC000822418956 599178838 /nfs/dbraw/zinc/17/88/38/599178838.db2.gz KIORVYXKHPFFEI-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM CCCc1ncc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)s1 ZINC000736496197 599179445 /nfs/dbraw/zinc/17/94/45/599179445.db2.gz ZJZHEJFKWRFHOW-UHFFFAOYSA-N -1 3 379.829 3.157 20 0 GGADHM CCCc1ncc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)s1 ZINC000736496197 599179447 /nfs/dbraw/zinc/17/94/47/599179447.db2.gz ZJZHEJFKWRFHOW-UHFFFAOYSA-N -1 3 379.829 3.157 20 0 GGADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737974459 599180967 /nfs/dbraw/zinc/18/09/67/599180967.db2.gz BAICZWWWQDNSPK-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737974459 599180970 /nfs/dbraw/zinc/18/09/70/599180970.db2.gz BAICZWWWQDNSPK-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000736151652 599184388 /nfs/dbraw/zinc/18/43/88/599184388.db2.gz QXUOFGZTGYPFFY-OLZOCXBDSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000736151652 599184390 /nfs/dbraw/zinc/18/43/90/599184390.db2.gz QXUOFGZTGYPFFY-OLZOCXBDSA-N -1 3 397.410 3.070 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(OCCCOC)c2)s1 ZINC000736678670 599184702 /nfs/dbraw/zinc/18/47/02/599184702.db2.gz DIYBETMVXFYJBD-UHFFFAOYSA-N -1 3 387.465 3.158 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(OCCCOC)c2)s1 ZINC000736678670 599184704 /nfs/dbraw/zinc/18/47/04/599184704.db2.gz DIYBETMVXFYJBD-UHFFFAOYSA-N -1 3 387.465 3.158 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736353680 599182946 /nfs/dbraw/zinc/18/29/46/599182946.db2.gz PNSAHFBVGRLTEG-KRWDZBQOSA-N -1 3 384.871 3.341 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736353680 599182948 /nfs/dbraw/zinc/18/29/48/599182948.db2.gz PNSAHFBVGRLTEG-KRWDZBQOSA-N -1 3 384.871 3.341 20 0 GGADHM CCN(C(=O)[C@@H](C)Cc1c(C)nn(C)c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501536 599183108 /nfs/dbraw/zinc/18/31/08/599183108.db2.gz DTNVXGQVTFUMDI-ZFWWWQNUSA-N -1 3 395.511 3.005 20 0 GGADHM CCN(C(=O)[C@@H](C)Cc1c(C)nn(C)c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501536 599183110 /nfs/dbraw/zinc/18/31/10/599183110.db2.gz DTNVXGQVTFUMDI-ZFWWWQNUSA-N -1 3 395.511 3.005 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000735546594 599188380 /nfs/dbraw/zinc/18/83/80/599188380.db2.gz FFMUIABBDXTCJI-JTQLQIEISA-N -1 3 393.344 3.445 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000735546594 599188383 /nfs/dbraw/zinc/18/83/83/599188383.db2.gz FFMUIABBDXTCJI-JTQLQIEISA-N -1 3 393.344 3.445 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1nc(C)cs1 ZINC000736637907 599188427 /nfs/dbraw/zinc/18/84/27/599188427.db2.gz URAJYTFSAJKJBA-UHFFFAOYSA-N -1 3 387.469 3.087 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1nc(C)cs1 ZINC000736637907 599188429 /nfs/dbraw/zinc/18/84/29/599188429.db2.gz URAJYTFSAJKJBA-UHFFFAOYSA-N -1 3 387.469 3.087 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000737294405 599188890 /nfs/dbraw/zinc/18/88/90/599188890.db2.gz NDBLBKBWKDUYAW-MRXNPFEDSA-N -1 3 395.442 3.105 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000737294405 599188892 /nfs/dbraw/zinc/18/88/92/599188892.db2.gz NDBLBKBWKDUYAW-MRXNPFEDSA-N -1 3 395.442 3.105 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCC[C@H]1c1ccco1 ZINC000738144163 599188914 /nfs/dbraw/zinc/18/89/14/599188914.db2.gz ABKIGSQYKPMUQX-LBPRGKRZSA-N -1 3 390.350 3.430 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCC[C@H]1c1ccco1 ZINC000738144163 599188917 /nfs/dbraw/zinc/18/89/17/599188917.db2.gz ABKIGSQYKPMUQX-LBPRGKRZSA-N -1 3 390.350 3.430 20 0 GGADHM C[C@@H](C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735570631 599189184 /nfs/dbraw/zinc/18/91/84/599189184.db2.gz OPONJQVZHFUBTN-GFCCVEGCSA-N -1 3 393.838 3.448 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820665114 599189894 /nfs/dbraw/zinc/18/98/94/599189894.db2.gz DQAIAWZWTGRSDA-SCLBCKFNSA-N -1 3 380.427 3.027 20 0 GGADHM Cc1ccccc1[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737421900 599186281 /nfs/dbraw/zinc/18/62/81/599186281.db2.gz NNXMHPVUXUZGJI-LSDHHAIUSA-N -1 3 393.447 3.239 20 0 GGADHM Cc1ccccc1[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737421900 599186283 /nfs/dbraw/zinc/18/62/83/599186283.db2.gz NNXMHPVUXUZGJI-LSDHHAIUSA-N -1 3 393.447 3.239 20 0 GGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820260824 599192272 /nfs/dbraw/zinc/19/22/72/599192272.db2.gz JRAMQBSBVGKTOE-ZDUSSCGKSA-N -1 3 385.518 3.256 20 0 GGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820260824 599192274 /nfs/dbraw/zinc/19/22/74/599192274.db2.gz JRAMQBSBVGKTOE-ZDUSSCGKSA-N -1 3 385.518 3.256 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000736166803 599196628 /nfs/dbraw/zinc/19/66/28/599196628.db2.gz BZZGHTQUDSMBKR-AWEZNQCLSA-N -1 3 395.438 3.007 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000736183501 599196690 /nfs/dbraw/zinc/19/66/90/599196690.db2.gz SJEAOVRUZOMCFJ-AWEZNQCLSA-N -1 3 395.438 3.007 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000736183501 599196691 /nfs/dbraw/zinc/19/66/91/599196691.db2.gz SJEAOVRUZOMCFJ-AWEZNQCLSA-N -1 3 395.438 3.007 20 0 GGADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822236090 599205616 /nfs/dbraw/zinc/20/56/16/599205616.db2.gz JNWXIXLRIQCYFB-HXUWFJFHSA-N -1 3 391.475 3.039 20 0 GGADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822236090 599205619 /nfs/dbraw/zinc/20/56/19/599205619.db2.gz JNWXIXLRIQCYFB-HXUWFJFHSA-N -1 3 391.475 3.039 20 0 GGADHM COCCN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988432 599203767 /nfs/dbraw/zinc/20/37/67/599203767.db2.gz MULWUWNPEQNETG-UHFFFAOYSA-N -1 3 381.367 3.045 20 0 GGADHM COCCN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988432 599203771 /nfs/dbraw/zinc/20/37/71/599203771.db2.gz MULWUWNPEQNETG-UHFFFAOYSA-N -1 3 381.367 3.045 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736350158 599209729 /nfs/dbraw/zinc/20/97/29/599209729.db2.gz KFOIJXZROOLVNC-NVXWUHKLSA-N -1 3 379.464 3.114 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736350158 599209731 /nfs/dbraw/zinc/20/97/31/599209731.db2.gz KFOIJXZROOLVNC-NVXWUHKLSA-N -1 3 379.464 3.114 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)c(Br)c1 ZINC000822935012 599209848 /nfs/dbraw/zinc/20/98/48/599209848.db2.gz FTEKNDICSMXSHO-VMPITWQZSA-N -1 3 388.200 3.420 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)c(Br)c1 ZINC000822935012 599209850 /nfs/dbraw/zinc/20/98/50/599209850.db2.gz FTEKNDICSMXSHO-VMPITWQZSA-N -1 3 388.200 3.420 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736350160 599210213 /nfs/dbraw/zinc/21/02/13/599210213.db2.gz KFOIJXZROOLVNC-WBVHZDCISA-N -1 3 379.464 3.114 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736350160 599210214 /nfs/dbraw/zinc/21/02/14/599210214.db2.gz KFOIJXZROOLVNC-WBVHZDCISA-N -1 3 379.464 3.114 20 0 GGADHM CC(C)c1ccc(CCCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735924327 599211757 /nfs/dbraw/zinc/21/17/57/599211757.db2.gz QQWFRGGUZGEGCZ-UHFFFAOYSA-N -1 3 378.480 3.422 20 0 GGADHM CC(C)c1ccc(CCCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924327 599211761 /nfs/dbraw/zinc/21/17/61/599211761.db2.gz QQWFRGGUZGEGCZ-UHFFFAOYSA-N -1 3 378.480 3.422 20 0 GGADHM CC(C)OC(=O)NCc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735895517 599211957 /nfs/dbraw/zinc/21/19/57/599211957.db2.gz XASGYSRWYLHNFP-UHFFFAOYSA-N -1 3 395.423 3.145 20 0 GGADHM CC(C)OC(=O)NCc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735895517 599211960 /nfs/dbraw/zinc/21/19/60/599211960.db2.gz XASGYSRWYLHNFP-UHFFFAOYSA-N -1 3 395.423 3.145 20 0 GGADHM Cc1ccc(SCCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737368895 599217121 /nfs/dbraw/zinc/21/71/21/599217121.db2.gz NSTFJKSABSNSOG-UHFFFAOYSA-N -1 3 397.504 3.161 20 0 GGADHM CCSCC[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000821461157 599218226 /nfs/dbraw/zinc/21/82/26/599218226.db2.gz KVMIRGHEFCEICN-JTQLQIEISA-N -1 3 392.554 3.123 20 0 GGADHM Cc1c(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)sc2cccc(F)c12 ZINC000737214563 599219199 /nfs/dbraw/zinc/21/91/99/599219199.db2.gz MMGHSNBSQPZGKX-UHFFFAOYSA-N -1 3 397.435 3.338 20 0 GGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233580 599221713 /nfs/dbraw/zinc/22/17/13/599221713.db2.gz RNPQGJDYNBCVFW-CXAGYDPISA-N -1 3 380.452 3.180 20 0 GGADHM Cc1ccc(N2CC[C@@H](SCc3ccc(F)cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822240850 599224208 /nfs/dbraw/zinc/22/42/08/599224208.db2.gz BEDZZMIXSXGCOF-QGZVFWFLSA-N -1 3 383.452 3.353 20 0 GGADHM Cc1ccc(N2CC[C@@H](SCc3ccc(F)cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822240850 599224211 /nfs/dbraw/zinc/22/42/11/599224211.db2.gz BEDZZMIXSXGCOF-QGZVFWFLSA-N -1 3 383.452 3.353 20 0 GGADHM O=C(c1ccc(COc2ccccc2-c2nnn[n-]2)o1)N1CCC[C@H]2CCC[C@H]21 ZINC000738257550 599225619 /nfs/dbraw/zinc/22/56/19/599225619.db2.gz HHBZVZXXYXNOAG-RHSMWYFYSA-N -1 3 393.447 3.443 20 0 GGADHM O=C(c1ccc(COc2ccccc2-c2nn[n-]n2)o1)N1CCC[C@H]2CCC[C@H]21 ZINC000738257550 599225622 /nfs/dbraw/zinc/22/56/22/599225622.db2.gz HHBZVZXXYXNOAG-RHSMWYFYSA-N -1 3 393.447 3.443 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000821699430 607260627 /nfs/dbraw/zinc/26/06/27/607260627.db2.gz PLBZQTBNKYZEFM-UHFFFAOYSA-N -1 3 394.309 3.036 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000821699430 607260628 /nfs/dbraw/zinc/26/06/28/607260628.db2.gz PLBZQTBNKYZEFM-UHFFFAOYSA-N -1 3 394.309 3.036 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3sccc3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000737323112 599229328 /nfs/dbraw/zinc/22/93/28/599229328.db2.gz OTPRQQOPZJBUMP-XJKSGUPXSA-N -1 3 383.477 3.147 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3sccc3-c3nn[n-]n3)[C@@H](C)CO2)c1 ZINC000737323112 599229330 /nfs/dbraw/zinc/22/93/30/599229330.db2.gz OTPRQQOPZJBUMP-XJKSGUPXSA-N -1 3 383.477 3.147 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736197962 599230038 /nfs/dbraw/zinc/23/00/38/599230038.db2.gz FLNWYZFNUNGSGL-CQSZACIVSA-N -1 3 396.882 3.039 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736197962 599230040 /nfs/dbraw/zinc/23/00/40/599230040.db2.gz FLNWYZFNUNGSGL-CQSZACIVSA-N -1 3 396.882 3.039 20 0 GGADHM CC1(C)CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCCO1 ZINC000736214586 599230339 /nfs/dbraw/zinc/23/03/39/599230339.db2.gz SCSDCEZQVWUMQD-UHFFFAOYSA-N -1 3 376.823 3.213 20 0 GGADHM CC1(C)CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCCO1 ZINC000736214586 599230342 /nfs/dbraw/zinc/23/03/42/599230342.db2.gz SCSDCEZQVWUMQD-UHFFFAOYSA-N -1 3 376.823 3.213 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)ccc21 ZINC000736188688 599230805 /nfs/dbraw/zinc/23/08/05/599230805.db2.gz OXXRVYFBRLCRMU-CYBMUJFWSA-N -1 3 391.435 3.203 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)ccc21 ZINC000736188688 599230807 /nfs/dbraw/zinc/23/08/07/599230807.db2.gz OXXRVYFBRLCRMU-CYBMUJFWSA-N -1 3 391.435 3.203 20 0 GGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000736007462 599232093 /nfs/dbraw/zinc/23/20/93/599232093.db2.gz BDRZCYJHLDJPEH-ASCRHOAZSA-N -1 3 383.839 3.117 20 0 GGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000736007462 599232096 /nfs/dbraw/zinc/23/20/96/599232096.db2.gz BDRZCYJHLDJPEH-ASCRHOAZSA-N -1 3 383.839 3.117 20 0 GGADHM O=C(Nc1ccc(F)cc1Br)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823346735 607263185 /nfs/dbraw/zinc/26/31/85/607263185.db2.gz PZGIHAXETQQMEV-UHFFFAOYSA-N -1 3 397.595 3.069 20 0 GGADHM O=C(Nc1ccc(F)cc1Br)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823346735 607263186 /nfs/dbraw/zinc/26/31/86/607263186.db2.gz PZGIHAXETQQMEV-UHFFFAOYSA-N -1 3 397.595 3.069 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000737954937 599227589 /nfs/dbraw/zinc/22/75/89/599227589.db2.gz SRDBQXXIPDBYRC-UHFFFAOYSA-N -1 3 393.344 3.139 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000737954937 599227592 /nfs/dbraw/zinc/22/75/92/599227592.db2.gz SRDBQXXIPDBYRC-UHFFFAOYSA-N -1 3 393.344 3.139 20 0 GGADHM CCOCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCC1 ZINC000821373063 607264486 /nfs/dbraw/zinc/26/44/86/607264486.db2.gz CPQIICVHNWBAIW-UHFFFAOYSA-N -1 3 396.394 3.108 20 0 GGADHM CCOCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCC1 ZINC000821373063 607264487 /nfs/dbraw/zinc/26/44/87/607264487.db2.gz CPQIICVHNWBAIW-UHFFFAOYSA-N -1 3 396.394 3.108 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000822217396 607265241 /nfs/dbraw/zinc/26/52/41/607265241.db2.gz CKTVZJXUGKNILW-UHFFFAOYSA-N -1 3 391.353 3.297 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000822217396 607265242 /nfs/dbraw/zinc/26/52/42/607265242.db2.gz CKTVZJXUGKNILW-UHFFFAOYSA-N -1 3 391.353 3.297 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3)[C@H](C)CO2)c1 ZINC000737323190 599229248 /nfs/dbraw/zinc/22/92/48/599229248.db2.gz QDRAWGKXECWTDZ-BEFAXECRSA-N -1 3 377.448 3.086 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3)[C@H](C)CO2)c1 ZINC000737323190 599229250 /nfs/dbraw/zinc/22/92/50/599229250.db2.gz QDRAWGKXECWTDZ-BEFAXECRSA-N -1 3 377.448 3.086 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000736821407 599238254 /nfs/dbraw/zinc/23/82/54/599238254.db2.gz FOHWKFLNAXRKNJ-UHFFFAOYSA-N -1 3 376.395 3.273 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000736821407 599238257 /nfs/dbraw/zinc/23/82/57/599238257.db2.gz FOHWKFLNAXRKNJ-UHFFFAOYSA-N -1 3 376.395 3.273 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC(F)F ZINC000821772583 607267467 /nfs/dbraw/zinc/26/74/67/607267467.db2.gz GRZZSQDBMIQLPK-UHFFFAOYSA-N -1 3 375.335 3.037 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OC(F)F ZINC000821772583 607267468 /nfs/dbraw/zinc/26/74/68/607267468.db2.gz GRZZSQDBMIQLPK-UHFFFAOYSA-N -1 3 375.335 3.037 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116674 599238901 /nfs/dbraw/zinc/23/89/01/599238901.db2.gz FUONEEVENZFYNQ-LSDHHAIUSA-N -1 3 376.464 3.032 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116674 599238902 /nfs/dbraw/zinc/23/89/02/599238902.db2.gz FUONEEVENZFYNQ-LSDHHAIUSA-N -1 3 376.464 3.032 20 0 GGADHM CC(C)(CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)Cc1ccccc1 ZINC000735670772 599239213 /nfs/dbraw/zinc/23/92/13/599239213.db2.gz WIINFGSAJGIMPS-UHFFFAOYSA-N -1 3 382.443 3.074 20 0 GGADHM CC(C)(CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)Cc1ccccc1 ZINC000735670772 599239215 /nfs/dbraw/zinc/23/92/15/599239215.db2.gz WIINFGSAJGIMPS-UHFFFAOYSA-N -1 3 382.443 3.074 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000823309061 599241869 /nfs/dbraw/zinc/24/18/69/599241869.db2.gz REKNZTSRIGUGHF-LBPRGKRZSA-N -1 3 391.218 3.429 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000823309061 599241871 /nfs/dbraw/zinc/24/18/71/599241871.db2.gz REKNZTSRIGUGHF-LBPRGKRZSA-N -1 3 391.218 3.429 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC(OCC2CCCCC2)CC1 ZINC000823309443 599242217 /nfs/dbraw/zinc/24/22/17/599242217.db2.gz YZORBSZJYCHJLF-UHFFFAOYSA-N -1 3 384.484 3.460 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC(OCC2CCCCC2)CC1 ZINC000823309443 599242219 /nfs/dbraw/zinc/24/22/19/599242219.db2.gz YZORBSZJYCHJLF-UHFFFAOYSA-N -1 3 384.484 3.460 20 0 GGADHM Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822075390 607270566 /nfs/dbraw/zinc/27/05/66/607270566.db2.gz DHHCIHSZVXOJEG-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822075390 607270567 /nfs/dbraw/zinc/27/05/67/607270567.db2.gz DHHCIHSZVXOJEG-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC000737173091 599242615 /nfs/dbraw/zinc/24/26/15/599242615.db2.gz WKLBNAJQOYKERK-KGLIPLIRSA-N -1 3 390.513 3.450 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC000737173091 599242616 /nfs/dbraw/zinc/24/26/16/599242616.db2.gz WKLBNAJQOYKERK-KGLIPLIRSA-N -1 3 390.513 3.450 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000736182370 599243119 /nfs/dbraw/zinc/24/31/19/599243119.db2.gz DKUBTXYMDKCPKL-YGONEPDPSA-N -1 3 397.866 3.350 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000736182370 599243121 /nfs/dbraw/zinc/24/31/21/599243121.db2.gz DKUBTXYMDKCPKL-YGONEPDPSA-N -1 3 397.866 3.350 20 0 GGADHM Cc1c(NC(=O)COc2c(Cl)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822077494 607269068 /nfs/dbraw/zinc/26/90/68/607269068.db2.gz VTAKVIVAUINHMA-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1c(NC(=O)COc2c(Cl)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822077494 607269069 /nfs/dbraw/zinc/26/90/69/607269069.db2.gz VTAKVIVAUINHMA-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000821790815 599243784 /nfs/dbraw/zinc/24/37/84/599243784.db2.gz VHOVWZIGTOFYIZ-MRXNPFEDSA-N -1 3 392.463 3.362 20 0 GGADHM COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000821790815 599243786 /nfs/dbraw/zinc/24/37/86/599243786.db2.gz VHOVWZIGTOFYIZ-MRXNPFEDSA-N -1 3 392.463 3.362 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737762266 597197208 /nfs/dbraw/zinc/19/72/08/597197208.db2.gz FXFASTROCDDOHE-KRWDZBQOSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380602 599250076 /nfs/dbraw/zinc/25/00/76/599250076.db2.gz XFKYEMMROWPNAC-AWEZNQCLSA-N -1 3 377.452 3.350 20 0 GGADHM C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380602 599250078 /nfs/dbraw/zinc/25/00/78/599250078.db2.gz XFKYEMMROWPNAC-AWEZNQCLSA-N -1 3 377.452 3.350 20 0 GGADHM COc1cc(C)c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821708066 599250513 /nfs/dbraw/zinc/25/05/13/599250513.db2.gz JUSCHGDMKVKRAV-GFCCVEGCSA-N -1 3 382.424 3.075 20 0 GGADHM COc1cc(C)c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821708066 599250515 /nfs/dbraw/zinc/25/05/15/599250515.db2.gz JUSCHGDMKVKRAV-GFCCVEGCSA-N -1 3 382.424 3.075 20 0 GGADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)Nc1ccncc1-c1nnn[n-]1 ZINC000737837247 599250599 /nfs/dbraw/zinc/25/05/99/599250599.db2.gz UYVJGAHUCVBBMP-UHFFFAOYSA-N -1 3 396.454 3.216 20 0 GGADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)Nc1ccncc1-c1nn[n-]n1 ZINC000737837247 599250602 /nfs/dbraw/zinc/25/06/02/599250602.db2.gz UYVJGAHUCVBBMP-UHFFFAOYSA-N -1 3 396.454 3.216 20 0 GGADHM C[C@@H](NC(=O)Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380164 599251270 /nfs/dbraw/zinc/25/12/70/599251270.db2.gz MHNQKHFMKKLFSA-SSDOTTSWSA-N -1 3 383.359 3.225 20 0 GGADHM C[C@@H](NC(=O)Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380164 599251271 /nfs/dbraw/zinc/25/12/71/599251271.db2.gz MHNQKHFMKKLFSA-SSDOTTSWSA-N -1 3 383.359 3.225 20 0 GGADHM CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820011135 599251338 /nfs/dbraw/zinc/25/13/38/599251338.db2.gz IVLYAHVVNAGQBO-CYBMUJFWSA-N -1 3 393.451 3.344 20 0 GGADHM CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820011135 599251340 /nfs/dbraw/zinc/25/13/40/599251340.db2.gz IVLYAHVVNAGQBO-CYBMUJFWSA-N -1 3 393.451 3.344 20 0 GGADHM Cc1c(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822076769 607280253 /nfs/dbraw/zinc/28/02/53/607280253.db2.gz RSQBAAYASLIOOT-SFHVURJKSA-N -1 3 396.426 3.044 20 0 GGADHM Cc1c(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822076769 607280254 /nfs/dbraw/zinc/28/02/54/607280254.db2.gz RSQBAAYASLIOOT-SFHVURJKSA-N -1 3 396.426 3.044 20 0 GGADHM Cc1c(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822083988 607281359 /nfs/dbraw/zinc/28/13/59/607281359.db2.gz GIPNZBRMQXYSGB-SCLBCKFNSA-N -1 3 378.436 3.169 20 0 GGADHM Cc1c(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822083988 607281360 /nfs/dbraw/zinc/28/13/60/607281360.db2.gz GIPNZBRMQXYSGB-SCLBCKFNSA-N -1 3 378.436 3.169 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380369 599252353 /nfs/dbraw/zinc/25/23/53/599252353.db2.gz RESYHZNHFFWZFD-LBPRGKRZSA-N -1 3 391.435 3.098 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380369 599252354 /nfs/dbraw/zinc/25/23/54/599252354.db2.gz RESYHZNHFFWZFD-LBPRGKRZSA-N -1 3 391.435 3.098 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(OC(F)(F)F)c1 ZINC000823238235 599253112 /nfs/dbraw/zinc/25/31/12/599253112.db2.gz JITRBXCSZJQYLK-UHFFFAOYSA-N -1 3 396.304 3.226 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(OC(F)(F)F)c1 ZINC000823238235 599253115 /nfs/dbraw/zinc/25/31/15/599253115.db2.gz JITRBXCSZJQYLK-UHFFFAOYSA-N -1 3 396.304 3.226 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cccc1-c1nnn[n-]1 ZINC000822089569 607282498 /nfs/dbraw/zinc/28/24/98/607282498.db2.gz FDOJXRZICZMZGN-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cccc1-c1nn[n-]n1 ZINC000822089569 607282499 /nfs/dbraw/zinc/28/24/99/607282499.db2.gz FDOJXRZICZMZGN-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1c(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822085208 607282920 /nfs/dbraw/zinc/28/29/20/607282920.db2.gz XAYISYQHEOFKEB-UHFFFAOYSA-N -1 3 397.870 3.183 20 0 GGADHM Cc1c(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822085208 607282921 /nfs/dbraw/zinc/28/29/21/607282921.db2.gz XAYISYQHEOFKEB-UHFFFAOYSA-N -1 3 397.870 3.183 20 0 GGADHM CC(C)COc1cccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820102787 599256466 /nfs/dbraw/zinc/25/64/66/599256466.db2.gz KQMITOGZRFHECB-UHFFFAOYSA-N -1 3 396.451 3.102 20 0 GGADHM Cc1c(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822076280 607284050 /nfs/dbraw/zinc/28/40/50/607284050.db2.gz NFICTJIYKFOVLU-IBGZPJMESA-N -1 3 392.463 3.079 20 0 GGADHM Cc1c(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822076280 607284051 /nfs/dbraw/zinc/28/40/51/607284051.db2.gz NFICTJIYKFOVLU-IBGZPJMESA-N -1 3 392.463 3.079 20 0 GGADHM CC(C)COc1ccccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820102981 599256637 /nfs/dbraw/zinc/25/66/37/599256637.db2.gz NFIMSUXZOZPJLG-UHFFFAOYSA-N -1 3 396.451 3.102 20 0 GGADHM Cc1c(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822090605 607284146 /nfs/dbraw/zinc/28/41/46/607284146.db2.gz LJOGFFZZFIRZCN-OAHLLOKOSA-N -1 3 390.369 3.470 20 0 GGADHM Cc1c(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822090605 607284147 /nfs/dbraw/zinc/28/41/47/607284147.db2.gz LJOGFFZZFIRZCN-OAHLLOKOSA-N -1 3 390.369 3.470 20 0 GGADHM CCCC(=O)Nc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821008331 607290431 /nfs/dbraw/zinc/29/04/31/607290431.db2.gz JIMBPBXIMUBLRR-UHFFFAOYSA-N -1 3 393.451 3.235 20 0 GGADHM CCCC(=O)Nc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821008331 607290432 /nfs/dbraw/zinc/29/04/32/607290432.db2.gz JIMBPBXIMUBLRR-UHFFFAOYSA-N -1 3 393.451 3.235 20 0 GGADHM Cc1c(NC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)cccc1-c1nnn[n-]1 ZINC000822089544 607290694 /nfs/dbraw/zinc/29/06/94/607290694.db2.gz FBGSITVSKWUGNL-LBPRGKRZSA-N -1 3 394.435 3.047 20 0 GGADHM Cc1c(NC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)cccc1-c1nn[n-]n1 ZINC000822089544 607290695 /nfs/dbraw/zinc/29/06/95/607290695.db2.gz FBGSITVSKWUGNL-LBPRGKRZSA-N -1 3 394.435 3.047 20 0 GGADHM Cc1c(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822097379 607291049 /nfs/dbraw/zinc/29/10/49/607291049.db2.gz XLYSPJHRUFYLMS-VQIMIIECSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1c(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822097379 607291050 /nfs/dbraw/zinc/29/10/50/607291050.db2.gz XLYSPJHRUFYLMS-VQIMIIECSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc3c(s2)CCCC3)cccc1-c1nnn[n-]1 ZINC000822076653 607291532 /nfs/dbraw/zinc/29/15/32/607291532.db2.gz PTVWXVSCGQVAEK-UHFFFAOYSA-N -1 3 383.481 3.174 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc3c(s2)CCCC3)cccc1-c1nn[n-]n1 ZINC000822076653 607291533 /nfs/dbraw/zinc/29/15/33/607291533.db2.gz PTVWXVSCGQVAEK-UHFFFAOYSA-N -1 3 383.481 3.174 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2ccc(Br)o2)cccc1-c1nnn[n-]1 ZINC000822075325 607292252 /nfs/dbraw/zinc/29/22/52/607292252.db2.gz BULKGXAHZYAVRS-UHFFFAOYSA-N -1 3 391.229 3.195 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2ccc(Br)o2)cccc1-c1nn[n-]n1 ZINC000822075325 607292253 /nfs/dbraw/zinc/29/22/53/607292253.db2.gz BULKGXAHZYAVRS-UHFFFAOYSA-N -1 3 391.229 3.195 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822085287 607293394 /nfs/dbraw/zinc/29/33/94/607293394.db2.gz XTQYTVDGRSRTRL-QFBILLFUSA-N -1 3 392.463 3.295 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822085287 607293395 /nfs/dbraw/zinc/29/33/95/607293395.db2.gz XTQYTVDGRSRTRL-QFBILLFUSA-N -1 3 392.463 3.295 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)cccc1-c1nnn[n-]1 ZINC000822084732 607293430 /nfs/dbraw/zinc/29/34/30/607293430.db2.gz OKZZSNYHXNSBMO-BZNIZROVSA-N -1 3 384.465 3.231 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)cccc1-c1nn[n-]n1 ZINC000822084732 607293431 /nfs/dbraw/zinc/29/34/31/607293431.db2.gz OKZZSNYHXNSBMO-BZNIZROVSA-N -1 3 384.465 3.231 20 0 GGADHM CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000819782287 607294721 /nfs/dbraw/zinc/29/47/21/607294721.db2.gz KTUPNZOMMFDACH-HNNXBMFYSA-N -1 3 393.447 3.103 20 0 GGADHM CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000819782287 607294722 /nfs/dbraw/zinc/29/47/22/607294722.db2.gz KTUPNZOMMFDACH-HNNXBMFYSA-N -1 3 393.447 3.103 20 0 GGADHM C[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000820735916 607298945 /nfs/dbraw/zinc/29/89/45/607298945.db2.gz VRRYTXRSHPQDPD-AWEZNQCLSA-N -1 3 390.447 3.126 20 0 GGADHM C[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000820735916 607298946 /nfs/dbraw/zinc/29/89/46/607298946.db2.gz VRRYTXRSHPQDPD-AWEZNQCLSA-N -1 3 390.447 3.126 20 0 GGADHM CC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000820919910 607299172 /nfs/dbraw/zinc/29/91/72/607299172.db2.gz HHAVUMKITNLNMS-CYBMUJFWSA-N -1 3 377.235 3.450 20 0 GGADHM CC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000820919910 607299173 /nfs/dbraw/zinc/29/91/73/607299173.db2.gz HHAVUMKITNLNMS-CYBMUJFWSA-N -1 3 377.235 3.450 20 0 GGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820220100 607300303 /nfs/dbraw/zinc/30/03/03/607300303.db2.gz NJKXFHUGKZWAFP-LBPRGKRZSA-N -1 3 382.855 3.356 20 0 GGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820220100 607300304 /nfs/dbraw/zinc/30/03/04/607300304.db2.gz NJKXFHUGKZWAFP-LBPRGKRZSA-N -1 3 382.855 3.356 20 0 GGADHM CC(C)(NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000819987578 607301020 /nfs/dbraw/zinc/30/10/20/607301020.db2.gz AFBNKSPFKPEMHV-UHFFFAOYSA-N -1 3 377.235 3.234 20 0 GGADHM CC(C)(NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000819987578 607301021 /nfs/dbraw/zinc/30/10/21/607301021.db2.gz AFBNKSPFKPEMHV-UHFFFAOYSA-N -1 3 377.235 3.234 20 0 GGADHM c1csc(-c2nc(CNc3c(-c4nnn[n-]4)cnc4ccccc43)co2)c1 ZINC000738449057 599263690 /nfs/dbraw/zinc/26/36/90/599263690.db2.gz RYSAWVRNISIZKJ-UHFFFAOYSA-N -1 3 375.417 3.165 20 0 GGADHM c1csc(-c2nc(CNc3c(-c4nn[n-]n4)cnc4ccccc43)co2)c1 ZINC000738449057 599263692 /nfs/dbraw/zinc/26/36/92/599263692.db2.gz RYSAWVRNISIZKJ-UHFFFAOYSA-N -1 3 375.417 3.165 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821890942 599263922 /nfs/dbraw/zinc/26/39/22/599263922.db2.gz SNDPDDIXYQIEAU-CABCVRRESA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821890942 599263923 /nfs/dbraw/zinc/26/39/23/599263923.db2.gz SNDPDDIXYQIEAU-CABCVRRESA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccc(CNc2ccc(N3CCCC3=O)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000821821550 607308857 /nfs/dbraw/zinc/30/88/57/607308857.db2.gz KJLYGBWSXUGKAB-UHFFFAOYSA-N -1 3 398.854 3.268 20 0 GGADHM COc1ccc(CNc2ccc(N3CCCC3=O)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000821821550 607308858 /nfs/dbraw/zinc/30/88/58/607308858.db2.gz KJLYGBWSXUGKAB-UHFFFAOYSA-N -1 3 398.854 3.268 20 0 GGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1ccc2c(c1)OCO2 ZINC000736136968 599264573 /nfs/dbraw/zinc/26/45/73/599264573.db2.gz ICUKZTBQIRVPPN-SNVBAGLBSA-N -1 3 394.822 3.392 20 0 GGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1ccc2c(c1)OCO2 ZINC000736136968 599264575 /nfs/dbraw/zinc/26/45/75/599264575.db2.gz ICUKZTBQIRVPPN-SNVBAGLBSA-N -1 3 394.822 3.392 20 0 GGADHM CCCS(=O)(=O)Nc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1C ZINC000821138600 607313924 /nfs/dbraw/zinc/31/39/24/607313924.db2.gz CHRNPROIAJEODC-UHFFFAOYSA-N -1 3 392.510 3.000 20 0 GGADHM CCCS(=O)(=O)Nc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1C ZINC000821138600 607313925 /nfs/dbraw/zinc/31/39/25/607313925.db2.gz CHRNPROIAJEODC-UHFFFAOYSA-N -1 3 392.510 3.000 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2Nc1ccc(N2CCCCC2)nc1 ZINC000737410812 599265122 /nfs/dbraw/zinc/26/51/22/599265122.db2.gz TVHXHTLKDNYYJK-UHFFFAOYSA-N -1 3 386.463 3.274 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2Nc1ccc(N2CCCCC2)nc1 ZINC000737410812 599265124 /nfs/dbraw/zinc/26/51/24/599265124.db2.gz TVHXHTLKDNYYJK-UHFFFAOYSA-N -1 3 386.463 3.274 20 0 GGADHM CCCOc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000821133671 607303519 /nfs/dbraw/zinc/30/35/19/607303519.db2.gz CPXILGNUKZXLAV-UHFFFAOYSA-N -1 3 383.477 3.387 20 0 GGADHM CCCOc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000821133671 607303520 /nfs/dbraw/zinc/30/35/20/607303520.db2.gz CPXILGNUKZXLAV-UHFFFAOYSA-N -1 3 383.477 3.387 20 0 GGADHM CN(C)c1ccnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000821591109 607304350 /nfs/dbraw/zinc/30/43/50/607304350.db2.gz WIOJIUWNUPYWSI-UHFFFAOYSA-N -1 3 378.465 3.063 20 0 GGADHM CN(C)c1ccnc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000821591109 607304351 /nfs/dbraw/zinc/30/43/51/607304351.db2.gz WIOJIUWNUPYWSI-UHFFFAOYSA-N -1 3 378.465 3.063 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C)c1cccc(-c2nnn[n-]2)c1 ZINC000820379808 599266692 /nfs/dbraw/zinc/26/66/92/599266692.db2.gz HUSXGVVCPLNKNY-ZDUSSCGKSA-N -1 3 377.452 3.132 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C)c1cccc(-c2nn[n-]n2)c1 ZINC000820379808 599266694 /nfs/dbraw/zinc/26/66/94/599266694.db2.gz HUSXGVVCPLNKNY-ZDUSSCGKSA-N -1 3 377.452 3.132 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Oc1ccccc1C ZINC000821406493 599266947 /nfs/dbraw/zinc/26/69/47/599266947.db2.gz GJFOVNHOFKHANM-AWEZNQCLSA-N -1 3 396.451 3.163 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Oc1ccccc1C ZINC000821406493 599266949 /nfs/dbraw/zinc/26/69/49/599266949.db2.gz GJFOVNHOFKHANM-AWEZNQCLSA-N -1 3 396.451 3.163 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@H](O)c1ccc(Cl)cc1 ZINC000737265036 599267660 /nfs/dbraw/zinc/26/76/60/599267660.db2.gz WMGRKUOBOUPZHA-INIZCTEOSA-N -1 3 398.829 3.083 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@H](O)c1ccc(Cl)cc1 ZINC000737265036 599267662 /nfs/dbraw/zinc/26/76/62/599267662.db2.gz WMGRKUOBOUPZHA-INIZCTEOSA-N -1 3 398.829 3.083 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1coc(-c2ccccc2)n1 ZINC000822220356 599267790 /nfs/dbraw/zinc/26/77/90/599267790.db2.gz NOLRJKYQNUWINM-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1coc(-c2ccccc2)n1 ZINC000822220356 599267792 /nfs/dbraw/zinc/26/77/92/599267792.db2.gz NOLRJKYQNUWINM-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM COc1ccc(C)cc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000737075148 599270167 /nfs/dbraw/zinc/27/01/67/599270167.db2.gz DFKAGZPUZLMJKC-UHFFFAOYSA-N -1 3 382.374 3.044 20 0 GGADHM COc1ccc(C)cc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000737075148 599270169 /nfs/dbraw/zinc/27/01/69/599270169.db2.gz DFKAGZPUZLMJKC-UHFFFAOYSA-N -1 3 382.374 3.044 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)o1 ZINC000736683673 599270941 /nfs/dbraw/zinc/27/09/41/599270941.db2.gz FJXJRQFFMPLPHC-WFASDCNBSA-N -1 3 398.467 3.396 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000736683673 599270943 /nfs/dbraw/zinc/27/09/43/599270943.db2.gz FJXJRQFFMPLPHC-WFASDCNBSA-N -1 3 398.467 3.396 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000736684375 599271015 /nfs/dbraw/zinc/27/10/15/599271015.db2.gz GXABGFNYAKAMOJ-DYVFJYSZSA-N -1 3 380.452 3.186 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000736684375 599271017 /nfs/dbraw/zinc/27/10/17/599271017.db2.gz GXABGFNYAKAMOJ-DYVFJYSZSA-N -1 3 380.452 3.186 20 0 GGADHM CCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736684492 599272323 /nfs/dbraw/zinc/27/23/23/599272323.db2.gz HMTCYRQOPRWMKP-SUMWQHHRSA-N -1 3 380.452 3.186 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000821762176 599274628 /nfs/dbraw/zinc/27/46/28/599274628.db2.gz HVPPEQBZYAZYEC-SNVBAGLBSA-N -1 3 388.378 3.079 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000821762176 599274630 /nfs/dbraw/zinc/27/46/30/599274630.db2.gz HVPPEQBZYAZYEC-SNVBAGLBSA-N -1 3 388.378 3.079 20 0 GGADHM Fc1cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1OC1CCC1 ZINC000822753182 607319141 /nfs/dbraw/zinc/31/91/41/607319141.db2.gz HWIZBEDHSMPLGA-UHFFFAOYSA-N -1 3 379.399 3.197 20 0 GGADHM Fc1cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1OC1CCC1 ZINC000822753182 607319142 /nfs/dbraw/zinc/31/91/42/607319142.db2.gz HWIZBEDHSMPLGA-UHFFFAOYSA-N -1 3 379.399 3.197 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737805318 599278719 /nfs/dbraw/zinc/27/87/19/599278719.db2.gz HCSFRDWYOHYDPW-KTKRTIGZSA-N -1 3 387.399 3.050 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737805318 599278721 /nfs/dbraw/zinc/27/87/21/599278721.db2.gz HCSFRDWYOHYDPW-KTKRTIGZSA-N -1 3 387.399 3.050 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1csc(Cc2ccccc2F)n1 ZINC000738230688 599279939 /nfs/dbraw/zinc/27/99/39/599279939.db2.gz IIHZOKCSZUUBAR-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2ccccc2F)n1 ZINC000738230688 599279941 /nfs/dbraw/zinc/27/99/41/599279941.db2.gz IIHZOKCSZUUBAR-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737257187 599281759 /nfs/dbraw/zinc/28/17/59/599281759.db2.gz SLURIBGABPMMPE-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737257187 599281760 /nfs/dbraw/zinc/28/17/60/599281760.db2.gz SLURIBGABPMMPE-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000737222414 599283492 /nfs/dbraw/zinc/28/34/92/599283492.db2.gz YPXPRSPRKYZAMJ-AWEZNQCLSA-N -1 3 383.427 3.221 20 0 GGADHM CCN(C(=O)c1oc(Br)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507228 599312423 /nfs/dbraw/zinc/31/24/23/599312423.db2.gz BXZOUVGHLADAMW-UHFFFAOYSA-N -1 3 376.214 3.197 20 0 GGADHM CCN(C(=O)c1oc(Br)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507228 599312426 /nfs/dbraw/zinc/31/24/26/599312426.db2.gz BXZOUVGHLADAMW-UHFFFAOYSA-N -1 3 376.214 3.197 20 0 GGADHM c1csc([C@H]2CCCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000738406464 599290655 /nfs/dbraw/zinc/29/06/55/599290655.db2.gz UOTSTFQQBBKUEH-CQSZACIVSA-N -1 3 394.464 3.100 20 0 GGADHM c1csc([C@H]2CCCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000738406464 599290656 /nfs/dbraw/zinc/29/06/56/599290656.db2.gz UOTSTFQQBBKUEH-CQSZACIVSA-N -1 3 394.464 3.100 20 0 GGADHM Cc1cn(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1-c1nnn[n-]1 ZINC000822385141 607331174 /nfs/dbraw/zinc/33/11/74/607331174.db2.gz XXXZTLDWBHAKCN-IBGZPJMESA-N -1 3 382.443 3.163 20 0 GGADHM Cc1cn(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1-c1nn[n-]n1 ZINC000822385141 607331175 /nfs/dbraw/zinc/33/11/75/607331175.db2.gz XXXZTLDWBHAKCN-IBGZPJMESA-N -1 3 382.443 3.163 20 0 GGADHM c1ccc2c(c1)nc(N[C@@H]1CCOC3(CCSCC3)C1)cc2-c1nnn[n-]1 ZINC000823791438 607331296 /nfs/dbraw/zinc/33/12/96/607331296.db2.gz CUBLYIRWUJYXEV-CYBMUJFWSA-N -1 3 382.493 3.272 20 0 GGADHM c1ccc2c(c1)nc(N[C@@H]1CCOC3(CCSCC3)C1)cc2-c1nn[n-]n1 ZINC000823791438 607331297 /nfs/dbraw/zinc/33/12/97/607331297.db2.gz CUBLYIRWUJYXEV-CYBMUJFWSA-N -1 3 382.493 3.272 20 0 GGADHM CCOc1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000821427592 607331844 /nfs/dbraw/zinc/33/18/44/607331844.db2.gz WBIICCKTCHLAAH-UHFFFAOYSA-N -1 3 378.358 3.334 20 0 GGADHM CCOc1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000821427592 607331845 /nfs/dbraw/zinc/33/18/45/607331845.db2.gz WBIICCKTCHLAAH-UHFFFAOYSA-N -1 3 378.358 3.334 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263485065 598192012 /nfs/dbraw/zinc/19/20/12/598192012.db2.gz PEQBDUQIRGUTAH-HNNXBMFYSA-N -1 3 390.505 3.266 20 0 GGADHM C[C@@H](CC(=O)[O-])N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000820072175 598212683 /nfs/dbraw/zinc/21/26/83/598212683.db2.gz OEQVBDWNVZWAQO-KPZWWZAWSA-N -1 3 381.881 3.286 20 0 GGADHM CS(=O)(=O)c1cccc([C@H](NCCCC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000820899883 598212757 /nfs/dbraw/zinc/21/27/57/598212757.db2.gz IIYLYRDHUOEEFF-GOSISDBHSA-N -1 3 381.881 3.287 20 0 GGADHM CC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCOCC1 ZINC000736203317 598231601 /nfs/dbraw/zinc/23/16/01/598231601.db2.gz MKHCSHMEPNPLOE-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM CC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCOCC1 ZINC000736203317 598231603 /nfs/dbraw/zinc/23/16/03/598231603.db2.gz MKHCSHMEPNPLOE-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM CCc1c(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cnn1C ZINC000736671222 598232009 /nfs/dbraw/zinc/23/20/09/598232009.db2.gz UUDIKCZJDHKXMD-UHFFFAOYSA-N -1 3 389.419 3.207 20 0 GGADHM CCc1c(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cnn1C ZINC000736671222 598232011 /nfs/dbraw/zinc/23/20/11/598232011.db2.gz UUDIKCZJDHKXMD-UHFFFAOYSA-N -1 3 389.419 3.207 20 0 GGADHM O=C(C=Cc1cnccn1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737804646 598232346 /nfs/dbraw/zinc/23/23/46/598232346.db2.gz CQKHJQVVADYOBF-RMKNXTFCSA-N -1 3 385.387 3.101 20 0 GGADHM O=C(C=Cc1cnccn1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737804646 598232348 /nfs/dbraw/zinc/23/23/48/598232348.db2.gz CQKHJQVVADYOBF-RMKNXTFCSA-N -1 3 385.387 3.101 20 0 GGADHM CCc1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000736692141 598236039 /nfs/dbraw/zinc/23/60/39/598236039.db2.gz ZIDRTMLUNNTXTL-UHFFFAOYSA-N -1 3 383.477 3.174 20 0 GGADHM CCc1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000736692141 598236040 /nfs/dbraw/zinc/23/60/40/598236040.db2.gz ZIDRTMLUNNTXTL-UHFFFAOYSA-N -1 3 383.477 3.174 20 0 GGADHM O=C(c1ccc2c(c1)CCC2)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738267898 598237328 /nfs/dbraw/zinc/23/73/28/598237328.db2.gz FVWXKSZDRAHHJB-UHFFFAOYSA-N -1 3 389.459 3.039 20 0 GGADHM O=C(c1ccc2c(c1)CCC2)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738267898 598237330 /nfs/dbraw/zinc/23/73/30/598237330.db2.gz FVWXKSZDRAHHJB-UHFFFAOYSA-N -1 3 389.459 3.039 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1C(C)(C)C ZINC000821690270 607348068 /nfs/dbraw/zinc/34/80/68/607348068.db2.gz CUDCXWRUMNFGQV-UHFFFAOYSA-N -1 3 393.491 3.453 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1C(C)(C)C ZINC000821690270 607348069 /nfs/dbraw/zinc/34/80/69/607348069.db2.gz CUDCXWRUMNFGQV-UHFFFAOYSA-N -1 3 393.491 3.453 20 0 GGADHM Cc1cccc2c1CC[C@@H]2NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737408734 598241379 /nfs/dbraw/zinc/24/13/79/598241379.db2.gz LTICGWHNRYJJOJ-AZUAARDMSA-N -1 3 391.475 3.382 20 0 GGADHM Cc1cccc2c1CC[C@@H]2NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737408734 598241381 /nfs/dbraw/zinc/24/13/81/598241381.db2.gz LTICGWHNRYJJOJ-AZUAARDMSA-N -1 3 391.475 3.382 20 0 GGADHM C[C@H]1Cc2ccccc2N1C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736296236 598242053 /nfs/dbraw/zinc/24/20/53/598242053.db2.gz GUQVELSQEYPTOW-AWEZNQCLSA-N -1 3 378.455 3.426 20 0 GGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736263556 598242254 /nfs/dbraw/zinc/24/22/54/598242254.db2.gz QVZUVEMHQVIOFV-KUHUBIRLSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736263556 598242255 /nfs/dbraw/zinc/24/22/55/598242255.db2.gz QVZUVEMHQVIOFV-KUHUBIRLSA-N -1 3 377.448 3.364 20 0 GGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)COc1cccc(Cl)c1Cl ZINC000738383841 598242403 /nfs/dbraw/zinc/24/24/03/598242403.db2.gz QXARBVWAEUBMAZ-JTQLQIEISA-N -1 3 398.225 3.164 20 0 GGADHM COc1ccc(Br)cc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737066280 598242710 /nfs/dbraw/zinc/24/27/10/598242710.db2.gz UGHWRBQOCHYCPS-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737933195 598243157 /nfs/dbraw/zinc/24/31/57/598243157.db2.gz UZBHECWUUMZIRV-KRWDZBQOSA-N -1 3 397.479 3.255 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737933195 598243158 /nfs/dbraw/zinc/24/31/58/598243158.db2.gz UZBHECWUUMZIRV-KRWDZBQOSA-N -1 3 397.479 3.255 20 0 GGADHM Fc1cccc(N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c1-c1nnn[n-]1 ZINC000737660488 598244659 /nfs/dbraw/zinc/24/46/59/598244659.db2.gz JYJQYTXNTRTKLC-OAHLLOKOSA-N -1 3 387.422 3.432 20 0 GGADHM Fc1cccc(N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c1-c1nn[n-]n1 ZINC000737660488 598244660 /nfs/dbraw/zinc/24/46/60/598244660.db2.gz JYJQYTXNTRTKLC-OAHLLOKOSA-N -1 3 387.422 3.432 20 0 GGADHM Cc1nnc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000737519987 598245230 /nfs/dbraw/zinc/24/52/30/598245230.db2.gz GKXVRNGXCSYUMT-AAEUAGOBSA-N -1 3 375.358 3.260 20 0 GGADHM Cc1nnc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000737519987 598245232 /nfs/dbraw/zinc/24/52/32/598245232.db2.gz GKXVRNGXCSYUMT-AAEUAGOBSA-N -1 3 375.358 3.260 20 0 GGADHM FC(F)(F)c1ccccc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737635444 598253888 /nfs/dbraw/zinc/25/38/88/598253888.db2.gz GBYBKLUVVGVWJH-UHFFFAOYSA-N -1 3 388.397 3.208 20 0 GGADHM C[C@H](c1ccc(F)cc1F)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197667 598255787 /nfs/dbraw/zinc/25/57/87/598255787.db2.gz CAZNBPOBNIGVGF-GFCCVEGCSA-N -1 3 388.397 3.167 20 0 GGADHM CC(C)N(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000735859572 598257558 /nfs/dbraw/zinc/25/75/58/598257558.db2.gz XIHCBWBWZHXFHC-UHFFFAOYSA-N -1 3 384.871 3.051 20 0 GGADHM CC(C)N(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735859572 598257559 /nfs/dbraw/zinc/25/75/59/598257559.db2.gz XIHCBWBWZHXFHC-UHFFFAOYSA-N -1 3 384.871 3.051 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000737061850 598265441 /nfs/dbraw/zinc/26/54/41/598265441.db2.gz FFDDPXUVHMLELA-SFHVURJKSA-N -1 3 390.403 3.379 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000737061850 598265442 /nfs/dbraw/zinc/26/54/42/598265442.db2.gz FFDDPXUVHMLELA-SFHVURJKSA-N -1 3 390.403 3.379 20 0 GGADHM CCOCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736617061 598266967 /nfs/dbraw/zinc/26/69/67/598266967.db2.gz XCXGTZKFHOCNKB-UHFFFAOYSA-N -1 3 382.424 3.207 20 0 GGADHM CCOCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736617061 598266971 /nfs/dbraw/zinc/26/69/71/598266971.db2.gz XCXGTZKFHOCNKB-UHFFFAOYSA-N -1 3 382.424 3.207 20 0 GGADHM CCOc1ccc(OC(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000736648274 598271242 /nfs/dbraw/zinc/27/12/42/598271242.db2.gz YRCVKOCXUIGLSW-UHFFFAOYSA-N -1 3 399.476 3.283 20 0 GGADHM CCOc1ccc(OC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000736648274 598271244 /nfs/dbraw/zinc/27/12/44/598271244.db2.gz YRCVKOCXUIGLSW-UHFFFAOYSA-N -1 3 399.476 3.283 20 0 GGADHM CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000736648262 598271496 /nfs/dbraw/zinc/27/14/96/598271496.db2.gz YKMJCAMRFQXAQV-CYBMUJFWSA-N -1 3 398.492 3.397 20 0 GGADHM CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000736648262 598271498 /nfs/dbraw/zinc/27/14/98/598271498.db2.gz YKMJCAMRFQXAQV-CYBMUJFWSA-N -1 3 398.492 3.397 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000735659947 598275787 /nfs/dbraw/zinc/27/57/87/598275787.db2.gz HWRKGNVNXPWNTI-OAHLLOKOSA-N -1 3 380.456 3.187 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000735659947 598275789 /nfs/dbraw/zinc/27/57/89/598275789.db2.gz HWRKGNVNXPWNTI-OAHLLOKOSA-N -1 3 380.456 3.187 20 0 GGADHM COc1ccc2c(c1)CCCN2C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737119077 598276994 /nfs/dbraw/zinc/27/69/94/598276994.db2.gz MYEYGSIQBRMVDX-UHFFFAOYSA-N -1 3 395.467 3.417 20 0 GGADHM COc1ccc2c(c1)CCCN2C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737119077 598276995 /nfs/dbraw/zinc/27/69/95/598276995.db2.gz MYEYGSIQBRMVDX-UHFFFAOYSA-N -1 3 395.467 3.417 20 0 GGADHM CN(C(=O)c1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000736741700 598277666 /nfs/dbraw/zinc/27/76/66/598277666.db2.gz IVVPMTGOIVWUIJ-UHFFFAOYSA-N -1 3 398.426 3.396 20 0 GGADHM CN(C(=O)c1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000736741700 598277668 /nfs/dbraw/zinc/27/76/68/598277668.db2.gz IVVPMTGOIVWUIJ-UHFFFAOYSA-N -1 3 398.426 3.396 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1cncc(F)c1 ZINC000736625559 598277706 /nfs/dbraw/zinc/27/77/06/598277706.db2.gz BYCNJGSQKMRTBC-ONEGZZNKSA-N -1 3 389.774 3.072 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1cncc(F)c1 ZINC000736625559 598277708 /nfs/dbraw/zinc/27/77/08/598277708.db2.gz BYCNJGSQKMRTBC-ONEGZZNKSA-N -1 3 389.774 3.072 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cocn1 ZINC000737270665 598277826 /nfs/dbraw/zinc/27/78/26/598277826.db2.gz OGODJUAWVFHMQH-UHFFFAOYSA-N -1 3 378.367 3.149 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cocn1 ZINC000737270665 598277827 /nfs/dbraw/zinc/27/78/27/598277827.db2.gz OGODJUAWVFHMQH-UHFFFAOYSA-N -1 3 378.367 3.149 20 0 GGADHM CN(Cc1ccc(Cl)nc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736816931 598277915 /nfs/dbraw/zinc/27/79/15/598277915.db2.gz PPGGPNVJHPAKDW-UHFFFAOYSA-N -1 3 388.863 3.136 20 0 GGADHM CN(Cc1ccc(Cl)nc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736816931 598277916 /nfs/dbraw/zinc/27/79/16/598277916.db2.gz PPGGPNVJHPAKDW-UHFFFAOYSA-N -1 3 388.863 3.136 20 0 GGADHM COCCOc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737015943 598279951 /nfs/dbraw/zinc/27/99/51/598279951.db2.gz RMLUPBNTCLVCQT-UHFFFAOYSA-N -1 3 399.455 3.092 20 0 GGADHM COCCOc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737015943 598279953 /nfs/dbraw/zinc/27/99/53/598279953.db2.gz RMLUPBNTCLVCQT-UHFFFAOYSA-N -1 3 399.455 3.092 20 0 GGADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742270 598280025 /nfs/dbraw/zinc/28/00/25/598280025.db2.gz ZETDAMRASYHARQ-UHFFFAOYSA-N -1 3 380.408 3.406 20 0 GGADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742270 598280027 /nfs/dbraw/zinc/28/00/27/598280027.db2.gz ZETDAMRASYHARQ-UHFFFAOYSA-N -1 3 380.408 3.406 20 0 GGADHM CN(C(=O)CCCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733874 598280277 /nfs/dbraw/zinc/28/02/77/598280277.db2.gz YOJCILHEDBGARN-UHFFFAOYSA-N -1 3 389.818 3.481 20 0 GGADHM CN(C(=O)CCCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733874 598280278 /nfs/dbraw/zinc/28/02/78/598280278.db2.gz YOJCILHEDBGARN-UHFFFAOYSA-N -1 3 389.818 3.481 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736236745 598281395 /nfs/dbraw/zinc/28/13/95/598281395.db2.gz MKWRVKCZRFTTLJ-SIIHOXLZSA-N -1 3 389.475 3.446 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736236745 598281396 /nfs/dbraw/zinc/28/13/96/598281396.db2.gz MKWRVKCZRFTTLJ-SIIHOXLZSA-N -1 3 389.475 3.446 20 0 GGADHM Cn1c(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nnc1C1CC1 ZINC000737589234 598283828 /nfs/dbraw/zinc/28/38/28/598283828.db2.gz AZGNKMSJPSYQPB-UHFFFAOYSA-N -1 3 388.435 3.277 20 0 GGADHM O=C(OCc1cc(F)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000738236291 598287941 /nfs/dbraw/zinc/28/79/41/598287941.db2.gz IESYAMMIPQAABR-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1cc(F)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000738236291 598287944 /nfs/dbraw/zinc/28/79/44/598287944.db2.gz IESYAMMIPQAABR-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM C[C@@H](CC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CCCCC1 ZINC000735977375 598288960 /nfs/dbraw/zinc/28/89/60/598288960.db2.gz NWSZZWNPAWJDLS-KBXCAEBGSA-N -1 3 397.479 3.122 20 0 GGADHM C[C@@H](CC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CCCCC1 ZINC000735977375 598288962 /nfs/dbraw/zinc/28/89/62/598288962.db2.gz NWSZZWNPAWJDLS-KBXCAEBGSA-N -1 3 397.479 3.122 20 0 GGADHM C[C@@H](CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735978559 598289245 /nfs/dbraw/zinc/28/92/45/598289245.db2.gz WXDZLWDSGHCMPQ-NSHDSACASA-N -1 3 377.470 3.016 20 0 GGADHM C[C@@H](CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735978559 598289247 /nfs/dbraw/zinc/28/92/47/598289247.db2.gz WXDZLWDSGHCMPQ-NSHDSACASA-N -1 3 377.470 3.016 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737975336 598289415 /nfs/dbraw/zinc/28/94/15/598289415.db2.gz YKYVSUFWLYXGBU-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737975336 598289417 /nfs/dbraw/zinc/28/94/17/598289417.db2.gz YKYVSUFWLYXGBU-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000736634565 598292522 /nfs/dbraw/zinc/29/25/22/598292522.db2.gz LRFFQLZWMCNMLW-UHFFFAOYSA-N -1 3 390.806 3.380 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000736634565 598292524 /nfs/dbraw/zinc/29/25/24/598292524.db2.gz LRFFQLZWMCNMLW-UHFFFAOYSA-N -1 3 390.806 3.380 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1(C(F)(F)F)CC1 ZINC000738210420 598296743 /nfs/dbraw/zinc/29/67/43/598296743.db2.gz WNRVWCXGVOLWHQ-UHFFFAOYSA-N -1 3 394.382 3.195 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1(C(F)(F)F)CC1 ZINC000738210420 598296745 /nfs/dbraw/zinc/29/67/45/598296745.db2.gz WNRVWCXGVOLWHQ-UHFFFAOYSA-N -1 3 394.382 3.195 20 0 GGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737289001 598297050 /nfs/dbraw/zinc/29/70/50/598297050.db2.gz RPRSHQRVZGPZBX-UHFFFAOYSA-N -1 3 386.415 3.255 20 0 GGADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CCCC2)c1 ZINC000737389205 598299331 /nfs/dbraw/zinc/29/93/31/598299331.db2.gz KCODYBSWAYWQEQ-UHFFFAOYSA-N -1 3 379.439 3.442 20 0 GGADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CCCC2)c1 ZINC000737389205 598299333 /nfs/dbraw/zinc/29/93/33/598299333.db2.gz KCODYBSWAYWQEQ-UHFFFAOYSA-N -1 3 379.439 3.442 20 0 GGADHM O=C(CCc1ccc2ccccc2c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737857865 598301076 /nfs/dbraw/zinc/30/10/76/598301076.db2.gz VOYQQVSRKCITBG-UHFFFAOYSA-N -1 3 375.407 3.408 20 0 GGADHM O=C(CCc1ccc2ccccc2c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737857865 598301078 /nfs/dbraw/zinc/30/10/78/598301078.db2.gz VOYQQVSRKCITBG-UHFFFAOYSA-N -1 3 375.407 3.408 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737916632 598303781 /nfs/dbraw/zinc/30/37/81/598303781.db2.gz PHFCKYZYYCGQIM-UHFFFAOYSA-N -1 3 396.209 3.008 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737916632 598303783 /nfs/dbraw/zinc/30/37/83/598303783.db2.gz PHFCKYZYYCGQIM-UHFFFAOYSA-N -1 3 396.209 3.008 20 0 GGADHM COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737055979 598306270 /nfs/dbraw/zinc/30/62/70/598306270.db2.gz SLPZSOMSMHYCBE-UHFFFAOYSA-N -1 3 377.379 3.098 20 0 GGADHM COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737055979 598306272 /nfs/dbraw/zinc/30/62/72/598306272.db2.gz SLPZSOMSMHYCBE-UHFFFAOYSA-N -1 3 377.379 3.098 20 0 GGADHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1cnc2ccccc2c1 ZINC000736155002 598306744 /nfs/dbraw/zinc/30/67/44/598306744.db2.gz FJOCOCFTDJESSI-CYBMUJFWSA-N -1 3 375.388 3.098 20 0 GGADHM C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1cnc2ccccc2c1 ZINC000736155002 598306746 /nfs/dbraw/zinc/30/67/46/598306746.db2.gz FJOCOCFTDJESSI-CYBMUJFWSA-N -1 3 375.388 3.098 20 0 GGADHM CC(C)c1noc(-c2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000735952650 598307652 /nfs/dbraw/zinc/30/76/52/598307652.db2.gz JRMSFESSJVJDME-UHFFFAOYSA-N -1 3 375.392 3.292 20 0 GGADHM CC(C)c1noc(-c2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000735952650 598307653 /nfs/dbraw/zinc/30/76/53/598307653.db2.gz JRMSFESSJVJDME-UHFFFAOYSA-N -1 3 375.392 3.292 20 0 GGADHM Cc1cccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)c1C ZINC000737383838 598308227 /nfs/dbraw/zinc/30/82/27/598308227.db2.gz DFYDKEWMZFVDKC-UHFFFAOYSA-N -1 3 389.415 3.268 20 0 GGADHM Cc1cccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)c1C ZINC000737383838 598308229 /nfs/dbraw/zinc/30/82/29/598308229.db2.gz DFYDKEWMZFVDKC-UHFFFAOYSA-N -1 3 389.415 3.268 20 0 GGADHM CN(C(=O)COc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736737088 598309790 /nfs/dbraw/zinc/30/97/90/598309790.db2.gz LOEGVEMNMUXUKR-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM CN(C(=O)COc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736737088 598309791 /nfs/dbraw/zinc/30/97/91/598309791.db2.gz LOEGVEMNMUXUKR-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739813 598309926 /nfs/dbraw/zinc/30/99/26/598309926.db2.gz SUZZFYACEHEYQT-UHFFFAOYSA-N -1 3 379.317 3.230 20 0 GGADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739813 598309927 /nfs/dbraw/zinc/30/99/27/598309927.db2.gz SUZZFYACEHEYQT-UHFFFAOYSA-N -1 3 379.317 3.230 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737318577 598310696 /nfs/dbraw/zinc/31/06/96/598310696.db2.gz WIWLLDBCDUIJOG-UHFFFAOYSA-N -1 3 383.427 3.479 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737318577 598310698 /nfs/dbraw/zinc/31/06/98/598310698.db2.gz WIWLLDBCDUIJOG-UHFFFAOYSA-N -1 3 383.427 3.479 20 0 GGADHM CCCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1OCC ZINC000736490471 598311224 /nfs/dbraw/zinc/31/12/24/598311224.db2.gz MLUYNBKQYPWECV-UHFFFAOYSA-N -1 3 399.426 3.470 20 0 GGADHM CCCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1OCC ZINC000736490471 598311225 /nfs/dbraw/zinc/31/12/25/598311225.db2.gz MLUYNBKQYPWECV-UHFFFAOYSA-N -1 3 399.426 3.470 20 0 GGADHM CN(C(=O)c1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742634 598311570 /nfs/dbraw/zinc/31/15/70/598311570.db2.gz RSHYDPPRYIDWRM-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM CN(C(=O)c1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742634 598311572 /nfs/dbraw/zinc/31/15/72/598311572.db2.gz RSHYDPPRYIDWRM-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737262847 598311634 /nfs/dbraw/zinc/31/16/34/598311634.db2.gz GSTYDZPRMJERJH-NSHDSACASA-N -1 3 389.818 3.398 20 0 GGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737262847 598311637 /nfs/dbraw/zinc/31/16/37/598311637.db2.gz GSTYDZPRMJERJH-NSHDSACASA-N -1 3 389.818 3.398 20 0 GGADHM CN(Cc1cc(-c2nn[n-]n2)ccc1F)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736814586 598312289 /nfs/dbraw/zinc/31/22/89/598312289.db2.gz LIBOIJBXMBOLHG-IBGZPJMESA-N -1 3 395.417 3.100 20 0 GGADHM COc1ccc(-c2nc(CSCc3cccc(-c4nnn[n-]4)c3)no2)cc1 ZINC000737056706 598313186 /nfs/dbraw/zinc/31/31/86/598313186.db2.gz NJNMXJHUNSXMMJ-UHFFFAOYSA-N -1 3 380.433 3.359 20 0 GGADHM COc1ccc(-c2nc(CSCc3cccc(-c4nn[n-]n4)c3)no2)cc1 ZINC000737056706 598313188 /nfs/dbraw/zinc/31/31/88/598313188.db2.gz NJNMXJHUNSXMMJ-UHFFFAOYSA-N -1 3 380.433 3.359 20 0 GGADHM Cc1cc(-c2noc([C@@H](C)NCc3ccc(-c4nnn[n-]4)cc3F)n2)ccc1F ZINC000737225931 598313615 /nfs/dbraw/zinc/31/36/15/598313615.db2.gz LMGFTEXDYKEFPC-LLVKDONJSA-N -1 3 397.389 3.354 20 0 GGADHM Cc1cc(-c2noc([C@@H](C)NCc3ccc(-c4nn[n-]n4)cc3F)n2)ccc1F ZINC000737225931 598313617 /nfs/dbraw/zinc/31/36/17/598313617.db2.gz LMGFTEXDYKEFPC-LLVKDONJSA-N -1 3 397.389 3.354 20 0 GGADHM CCCCn1nc(C)c(CNCc2ccc(-c3nnn[n-]3)cc2F)c1Cl ZINC000736470062 598315561 /nfs/dbraw/zinc/31/55/61/598315561.db2.gz QNWDSASOLZZLIE-UHFFFAOYSA-N -1 3 377.855 3.254 20 0 GGADHM CCCCn1nc(C)c(CNCc2ccc(-c3nn[n-]n3)cc2F)c1Cl ZINC000736470062 598315563 /nfs/dbraw/zinc/31/55/63/598315563.db2.gz QNWDSASOLZZLIE-UHFFFAOYSA-N -1 3 377.855 3.254 20 0 GGADHM c1sc(-c2ccc3c(c2)OCO3)nc1COc1ccccc1-c1nnn[n-]1 ZINC000738425817 598316493 /nfs/dbraw/zinc/31/64/93/598316493.db2.gz OEOKFGDWTQXORC-UHFFFAOYSA-N -1 3 379.401 3.298 20 0 GGADHM c1sc(-c2ccc3c(c2)OCO3)nc1COc1ccccc1-c1nn[n-]n1 ZINC000738425817 598316494 /nfs/dbraw/zinc/31/64/94/598316494.db2.gz OEOKFGDWTQXORC-UHFFFAOYSA-N -1 3 379.401 3.298 20 0 GGADHM CN(CCOc1ccccc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736801865 598317061 /nfs/dbraw/zinc/31/70/61/598317061.db2.gz MHUBYPCEFFPKQI-UHFFFAOYSA-N -1 3 388.884 3.228 20 0 GGADHM CN(CCOc1ccccc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736801865 598317062 /nfs/dbraw/zinc/31/70/62/598317062.db2.gz MHUBYPCEFFPKQI-UHFFFAOYSA-N -1 3 388.884 3.228 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]1c1cccnc1 ZINC000738402096 598319501 /nfs/dbraw/zinc/31/95/01/598319501.db2.gz WGULEMXKQMMVSG-HNNXBMFYSA-N -1 3 385.884 3.449 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]1c1cccnc1 ZINC000738402096 598319503 /nfs/dbraw/zinc/31/95/03/598319503.db2.gz WGULEMXKQMMVSG-HNNXBMFYSA-N -1 3 385.884 3.449 20 0 GGADHM O=C(NCCCCCc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738054597 598320926 /nfs/dbraw/zinc/32/09/26/598320926.db2.gz PEHQIGMOQDFCNM-UHFFFAOYSA-N -1 3 382.443 3.218 20 0 GGADHM O=C(NCCCCCc1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738054597 598320928 /nfs/dbraw/zinc/32/09/28/598320928.db2.gz PEHQIGMOQDFCNM-UHFFFAOYSA-N -1 3 382.443 3.218 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738099385 598321440 /nfs/dbraw/zinc/32/14/40/598321440.db2.gz HRAQTFVAEFOFLU-SFHVURJKSA-N -1 3 398.417 3.486 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738099385 598321442 /nfs/dbraw/zinc/32/14/42/598321442.db2.gz HRAQTFVAEFOFLU-SFHVURJKSA-N -1 3 398.417 3.486 20 0 GGADHM C[C@H](Cc1ccsc1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736065590 598321929 /nfs/dbraw/zinc/32/19/29/598321929.db2.gz DULXLOLHGMPNDC-SECBINFHSA-N -1 3 378.914 3.499 20 0 GGADHM C[C@H](Cc1ccsc1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736065590 598321930 /nfs/dbraw/zinc/32/19/30/598321930.db2.gz DULXLOLHGMPNDC-SECBINFHSA-N -1 3 378.914 3.499 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccc(N2CCCC2)cc1 ZINC000737919490 598322821 /nfs/dbraw/zinc/32/28/21/598322821.db2.gz UHCTXFGSUUZDQM-UHFFFAOYSA-N -1 3 398.854 3.138 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccc(N2CCCC2)cc1 ZINC000737919490 598322823 /nfs/dbraw/zinc/32/28/23/598322823.db2.gz UHCTXFGSUUZDQM-UHFFFAOYSA-N -1 3 398.854 3.138 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc2c1OCCO2 ZINC000738407126 598323448 /nfs/dbraw/zinc/32/34/48/598323448.db2.gz GEKZPAKECDUUIE-UHFFFAOYSA-N -1 3 388.840 3.100 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc2c1OCCO2 ZINC000738407126 598323450 /nfs/dbraw/zinc/32/34/50/598323450.db2.gz GEKZPAKECDUUIE-UHFFFAOYSA-N -1 3 388.840 3.100 20 0 GGADHM COc1ccc(NC(=S)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1F ZINC000737102857 598324262 /nfs/dbraw/zinc/32/42/62/598324262.db2.gz DFOZVFZFPZPUCY-UHFFFAOYSA-N -1 3 398.467 3.376 20 0 GGADHM COc1ccc(NC(=S)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1F ZINC000737102857 598324264 /nfs/dbraw/zinc/32/42/64/598324264.db2.gz DFOZVFZFPZPUCY-UHFFFAOYSA-N -1 3 398.467 3.376 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)cc1C(F)(F)F ZINC000738100716 598324735 /nfs/dbraw/zinc/32/47/35/598324735.db2.gz QQFJNQVSSPSFTH-UHFFFAOYSA-N -1 3 398.295 3.485 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)cc1C(F)(F)F ZINC000738100716 598324736 /nfs/dbraw/zinc/32/47/36/598324736.db2.gz QQFJNQVSSPSFTH-UHFFFAOYSA-N -1 3 398.295 3.485 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(F)c1F ZINC000736628599 598325463 /nfs/dbraw/zinc/32/54/63/598325463.db2.gz QXLPYBNUJSTAOJ-UHFFFAOYSA-N -1 3 380.738 3.416 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(F)c1F ZINC000736628599 598325465 /nfs/dbraw/zinc/32/54/65/598325465.db2.gz QXLPYBNUJSTAOJ-UHFFFAOYSA-N -1 3 380.738 3.416 20 0 GGADHM Cc1ccc(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737342815 598325828 /nfs/dbraw/zinc/32/58/28/598325828.db2.gz QPDIZPUFHNPCTM-UHFFFAOYSA-N -1 3 389.415 3.277 20 0 GGADHM Cc1ccc(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737342815 598325829 /nfs/dbraw/zinc/32/58/29/598325829.db2.gz QPDIZPUFHNPCTM-UHFFFAOYSA-N -1 3 389.415 3.277 20 0 GGADHM O=C(NCCc1cccs1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738088525 598326343 /nfs/dbraw/zinc/32/63/43/598326343.db2.gz PUIFQYUMNQIWFB-UHFFFAOYSA-N -1 3 395.444 3.073 20 0 GGADHM O=C(NCCc1cccs1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738088525 598326345 /nfs/dbraw/zinc/32/63/45/598326345.db2.gz PUIFQYUMNQIWFB-UHFFFAOYSA-N -1 3 395.444 3.073 20 0 GGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735873652 598327481 /nfs/dbraw/zinc/32/74/81/598327481.db2.gz JXZUGDIWULZGQW-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735873652 598327483 /nfs/dbraw/zinc/32/74/83/598327483.db2.gz JXZUGDIWULZGQW-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736194559 598327542 /nfs/dbraw/zinc/32/75/42/598327542.db2.gz AVFIQXMOLCXIQS-JTQLQIEISA-N -1 3 390.369 3.187 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736194559 598327545 /nfs/dbraw/zinc/32/75/45/598327545.db2.gz AVFIQXMOLCXIQS-JTQLQIEISA-N -1 3 390.369 3.187 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737420275 598328257 /nfs/dbraw/zinc/32/82/57/598328257.db2.gz FJIQUWUVCGETGY-GOSISDBHSA-N -1 3 380.427 3.361 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737420275 598328259 /nfs/dbraw/zinc/32/82/59/598328259.db2.gz FJIQUWUVCGETGY-GOSISDBHSA-N -1 3 380.427 3.361 20 0 GGADHM CCc1ccc(CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000736681710 598328901 /nfs/dbraw/zinc/32/89/01/598328901.db2.gz FHTQBAHKNDJJHE-UHFFFAOYSA-N -1 3 394.454 3.442 20 0 GGADHM CCc1ccc(CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000736681710 598328902 /nfs/dbraw/zinc/32/89/02/598328902.db2.gz FHTQBAHKNDJJHE-UHFFFAOYSA-N -1 3 394.454 3.442 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736224492 598329666 /nfs/dbraw/zinc/32/96/66/598329666.db2.gz MXYWHKLSCHKPOV-ZIAGYGMSSA-N -1 3 381.436 3.157 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736224492 598329668 /nfs/dbraw/zinc/32/96/68/598329668.db2.gz MXYWHKLSCHKPOV-ZIAGYGMSSA-N -1 3 381.436 3.157 20 0 GGADHM Fc1ccc2c(c1)N(Cn1ccc(-c3ccc(-c4nnn[n-]4)cc3)n1)CCC2 ZINC000737667518 598335288 /nfs/dbraw/zinc/33/52/88/598335288.db2.gz RERPIRRYZYVSBT-UHFFFAOYSA-N -1 3 375.411 3.280 20 0 GGADHM Fc1ccc2c(c1)N(Cn1ccc(-c3ccc(-c4nn[n-]n4)cc3)n1)CCC2 ZINC000737667518 598335289 /nfs/dbraw/zinc/33/52/89/598335289.db2.gz RERPIRRYZYVSBT-UHFFFAOYSA-N -1 3 375.411 3.280 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823066454 607351115 /nfs/dbraw/zinc/35/11/15/607351115.db2.gz ZQTYZBHIAUMSDW-UHFFFAOYSA-N -1 3 387.415 3.093 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823066454 607351117 /nfs/dbraw/zinc/35/11/17/607351117.db2.gz ZQTYZBHIAUMSDW-UHFFFAOYSA-N -1 3 387.415 3.093 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCc1cccc(OC(F)(F)F)c1 ZINC000823111177 607353208 /nfs/dbraw/zinc/35/32/08/607353208.db2.gz DTODVGQIGLKLKH-UHFFFAOYSA-N -1 3 392.337 3.094 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCc1cccc(OC(F)(F)F)c1 ZINC000823111177 607353210 /nfs/dbraw/zinc/35/32/10/607353210.db2.gz DTODVGQIGLKLKH-UHFFFAOYSA-N -1 3 392.337 3.094 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000821418135 607354236 /nfs/dbraw/zinc/35/42/36/607354236.db2.gz WOVOORGCKANVRY-GOSISDBHSA-N -1 3 393.447 3.008 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000821418135 607354238 /nfs/dbraw/zinc/35/42/38/607354238.db2.gz WOVOORGCKANVRY-GOSISDBHSA-N -1 3 393.447 3.008 20 0 GGADHM Brc1cccc([C@@H]2C[C@@H]2Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000735369847 598353387 /nfs/dbraw/zinc/35/33/87/598353387.db2.gz YJMOUQJWIFKZAI-BBRMVZONSA-N -1 3 397.280 3.481 20 0 GGADHM Brc1cccc([C@@H]2C[C@@H]2Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000735369847 598353388 /nfs/dbraw/zinc/35/33/88/598353388.db2.gz YJMOUQJWIFKZAI-BBRMVZONSA-N -1 3 397.280 3.481 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000738178751 598358854 /nfs/dbraw/zinc/35/88/54/598358854.db2.gz KJIGETIAMYCRQO-LSDHHAIUSA-N -1 3 399.252 3.307 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000738178751 598358856 /nfs/dbraw/zinc/35/88/56/598358856.db2.gz KJIGETIAMYCRQO-LSDHHAIUSA-N -1 3 399.252 3.307 20 0 GGADHM C[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736106942 598359782 /nfs/dbraw/zinc/35/97/82/598359782.db2.gz VUKWLAVEKMCJPX-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736106942 598359783 /nfs/dbraw/zinc/35/97/83/598359783.db2.gz VUKWLAVEKMCJPX-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736104422 598359824 /nfs/dbraw/zinc/35/98/24/598359824.db2.gz HIRORFHHQBTTPC-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM O=C(OCCc1ccccc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738222201 598361302 /nfs/dbraw/zinc/36/13/02/598361302.db2.gz MFYAVMOJVGMSGM-UHFFFAOYSA-N -1 3 390.399 3.438 20 0 GGADHM O=C(OCCc1ccccc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738222201 598361304 /nfs/dbraw/zinc/36/13/04/598361304.db2.gz MFYAVMOJVGMSGM-UHFFFAOYSA-N -1 3 390.399 3.438 20 0 GGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1nc2ccccc2s1 ZINC000738386501 598362915 /nfs/dbraw/zinc/36/29/15/598362915.db2.gz LMDUXFVXLVYDSL-LBPRGKRZSA-N -1 3 385.474 3.008 20 0 GGADHM COC(=O)c1sc2ccccc2c1COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736957625 598363250 /nfs/dbraw/zinc/36/32/50/598363250.db2.gz UUIUOEFSWYBOJV-UHFFFAOYSA-N -1 3 396.428 3.456 20 0 GGADHM COC(=O)c1sc2ccccc2c1COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736957625 598363251 /nfs/dbraw/zinc/36/32/51/598363251.db2.gz UUIUOEFSWYBOJV-UHFFFAOYSA-N -1 3 396.428 3.456 20 0 GGADHM CCC(C)(C)C(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736315483 598365468 /nfs/dbraw/zinc/36/54/68/598365468.db2.gz ZSFVTQXNJDRHEF-UHFFFAOYSA-N -1 3 389.510 3.385 20 0 GGADHM CCC(C)(C)C(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736315483 598365469 /nfs/dbraw/zinc/36/54/69/598365469.db2.gz ZSFVTQXNJDRHEF-UHFFFAOYSA-N -1 3 389.510 3.385 20 0 GGADHM Fc1cc(CSCc2ccc(-c3nnn[n-]3)cc2F)c2c(c1)COCO2 ZINC000737654053 598369820 /nfs/dbraw/zinc/36/98/20/598369820.db2.gz XRXBXEJDVKCAHB-UHFFFAOYSA-N -1 3 376.388 3.445 20 0 GGADHM Fc1cc(CSCc2ccc(-c3nn[n-]n3)cc2F)c2c(c1)COCO2 ZINC000737654053 598369823 /nfs/dbraw/zinc/36/98/23/598369823.db2.gz XRXBXEJDVKCAHB-UHFFFAOYSA-N -1 3 376.388 3.445 20 0 GGADHM O=C(Cc1coc(-c2cccs2)n1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737978709 598372032 /nfs/dbraw/zinc/37/20/32/598372032.db2.gz YSTSPBSFCLEGQO-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM O=C(Cc1coc(-c2cccs2)n1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737978709 598372034 /nfs/dbraw/zinc/37/20/34/598372034.db2.gz YSTSPBSFCLEGQO-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737062283 598372678 /nfs/dbraw/zinc/37/26/78/598372678.db2.gz IDNRFIDUUUMDAG-MRXNPFEDSA-N -1 3 392.463 3.362 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737062283 598372680 /nfs/dbraw/zinc/37/26/80/598372680.db2.gz IDNRFIDUUUMDAG-MRXNPFEDSA-N -1 3 392.463 3.362 20 0 GGADHM C[C@@H](NC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123201 598373508 /nfs/dbraw/zinc/37/35/08/598373508.db2.gz OQWGLBBHGHXHKR-SECBINFHSA-N -1 3 383.362 3.172 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000737059228 598380246 /nfs/dbraw/zinc/38/02/46/598380246.db2.gz SLRGYTBCLFPPBQ-UHFFFAOYSA-N -1 3 396.432 3.081 20 0 GGADHM Cc1cccc(C2(CNC(=O)COc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737390658 598381763 /nfs/dbraw/zinc/38/17/63/598381763.db2.gz UOFXAWQWZGGGBF-UHFFFAOYSA-N -1 3 391.475 3.182 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000737463126 598381875 /nfs/dbraw/zinc/38/18/75/598381875.db2.gz JOWUUZLIXLWDRW-UHFFFAOYSA-N -1 3 391.460 3.349 20 0 GGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736590956 598383020 /nfs/dbraw/zinc/38/30/20/598383020.db2.gz MPCQUJJDWSPXEP-HXUWFJFHSA-N -1 3 391.475 3.006 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000737895764 598383606 /nfs/dbraw/zinc/38/36/06/598383606.db2.gz PPBMCGJUUYDRNS-HXUWFJFHSA-N -1 3 394.454 3.465 20 0 GGADHM COc1ccc(N(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C2CC2)cc1 ZINC000737098523 598384337 /nfs/dbraw/zinc/38/43/37/598384337.db2.gz FOYATYCMARLXFH-AWEZNQCLSA-N -1 3 392.463 3.119 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N(CCc1ccccc1)Cc1cccnc1 ZINC000738293616 598384960 /nfs/dbraw/zinc/38/49/60/598384960.db2.gz YYMAUIFWVSJCKV-UHFFFAOYSA-N -1 3 390.472 3.208 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N(CCc1ccccc1)Cc1cccnc1 ZINC000738293616 598384961 /nfs/dbraw/zinc/38/49/61/598384961.db2.gz YYMAUIFWVSJCKV-UHFFFAOYSA-N -1 3 390.472 3.208 20 0 GGADHM COc1cc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(F)F ZINC000737045968 598386420 /nfs/dbraw/zinc/38/64/20/598386420.db2.gz WDZDNKAXKSAIMP-UHFFFAOYSA-N -1 3 396.785 3.162 20 0 GGADHM COc1cc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(F)F ZINC000737045968 598386422 /nfs/dbraw/zinc/38/64/22/598386422.db2.gz WDZDNKAXKSAIMP-UHFFFAOYSA-N -1 3 396.785 3.162 20 0 GGADHM CN(Cc1ccc(OC(F)(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736819137 598387497 /nfs/dbraw/zinc/38/74/97/598387497.db2.gz IQDYGWQQGAXISP-UHFFFAOYSA-N -1 3 384.749 3.450 20 0 GGADHM CN(Cc1ccc(OC(F)(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736819137 598387500 /nfs/dbraw/zinc/38/75/00/598387500.db2.gz IQDYGWQQGAXISP-UHFFFAOYSA-N -1 3 384.749 3.450 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736115400 598389265 /nfs/dbraw/zinc/38/92/65/598389265.db2.gz HXDBKGCUUBJIOL-GFCCVEGCSA-N -1 3 390.463 3.135 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736115400 598389267 /nfs/dbraw/zinc/38/92/67/598389267.db2.gz HXDBKGCUUBJIOL-GFCCVEGCSA-N -1 3 390.463 3.135 20 0 GGADHM COc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC(F)F ZINC000737095532 598389391 /nfs/dbraw/zinc/38/93/91/598389391.db2.gz JMTYSGWRJNCARA-UHFFFAOYSA-N -1 3 382.758 3.137 20 0 GGADHM COc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC(F)F ZINC000737095532 598389393 /nfs/dbraw/zinc/38/93/93/598389393.db2.gz JMTYSGWRJNCARA-UHFFFAOYSA-N -1 3 382.758 3.137 20 0 GGADHM Cc1ccc(C(=O)C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737308364 598391450 /nfs/dbraw/zinc/39/14/50/598391450.db2.gz LMTRNNNNGALUGM-UHFFFAOYSA-N -1 3 382.855 3.323 20 0 GGADHM Cc1ccc(C(=O)C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737308364 598391451 /nfs/dbraw/zinc/39/14/51/598391451.db2.gz LMTRNNNNGALUGM-UHFFFAOYSA-N -1 3 382.855 3.323 20 0 GGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000736136795 598391812 /nfs/dbraw/zinc/39/18/12/598391812.db2.gz IPBMGUHPOTVVIE-NSHDSACASA-N -1 3 383.843 3.215 20 0 GGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000736136795 598391814 /nfs/dbraw/zinc/39/18/14/598391814.db2.gz IPBMGUHPOTVVIE-NSHDSACASA-N -1 3 383.843 3.215 20 0 GGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000736140174 598391880 /nfs/dbraw/zinc/39/18/80/598391880.db2.gz ZKHGAQMJVJEIQQ-JTQLQIEISA-N -1 3 385.815 3.045 20 0 GGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000736140174 598391882 /nfs/dbraw/zinc/39/18/82/598391882.db2.gz ZKHGAQMJVJEIQQ-JTQLQIEISA-N -1 3 385.815 3.045 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000736638208 598392426 /nfs/dbraw/zinc/39/24/26/598392426.db2.gz XWARYPPRTHLBIG-OAHLLOKOSA-N -1 3 382.399 3.214 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000736638208 598392428 /nfs/dbraw/zinc/39/24/28/598392428.db2.gz XWARYPPRTHLBIG-OAHLLOKOSA-N -1 3 382.399 3.214 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000737556964 598392799 /nfs/dbraw/zinc/39/27/99/598392799.db2.gz AKNYYWPTORTEOZ-UHFFFAOYSA-N -1 3 393.234 3.342 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000737556964 598392800 /nfs/dbraw/zinc/39/28/00/598392800.db2.gz AKNYYWPTORTEOZ-UHFFFAOYSA-N -1 3 393.234 3.342 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737214979 598393577 /nfs/dbraw/zinc/39/35/77/598393577.db2.gz CIMQGEZCMHGYEA-UHFFFAOYSA-N -1 3 392.250 3.318 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737214979 598393579 /nfs/dbraw/zinc/39/35/79/598393579.db2.gz CIMQGEZCMHGYEA-UHFFFAOYSA-N -1 3 392.250 3.318 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000736634431 598395577 /nfs/dbraw/zinc/39/55/77/598395577.db2.gz HCQKDMSTQGRFCH-CVEARBPZSA-N -1 3 379.420 3.016 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000736634431 598395578 /nfs/dbraw/zinc/39/55/78/598395578.db2.gz HCQKDMSTQGRFCH-CVEARBPZSA-N -1 3 379.420 3.016 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000737221566 598396078 /nfs/dbraw/zinc/39/60/78/598396078.db2.gz MOLPZELOKNXGJS-UHFFFAOYSA-N -1 3 379.464 3.381 20 0 GGADHM Cn1ccc2c1cccc2NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737611955 598396570 /nfs/dbraw/zinc/39/65/70/598396570.db2.gz FQBVORDLGTZFKV-UHFFFAOYSA-N -1 3 381.827 3.062 20 0 GGADHM Cn1ccc2c1cccc2NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737611955 598396572 /nfs/dbraw/zinc/39/65/72/598396572.db2.gz FQBVORDLGTZFKV-UHFFFAOYSA-N -1 3 381.827 3.062 20 0 GGADHM C[C@H](Nc1ccc(OC2CCCC2)nc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736139334 598397371 /nfs/dbraw/zinc/39/73/71/598397371.db2.gz QCHPRYHBBBFHAR-ZDUSSCGKSA-N -1 3 393.451 3.022 20 0 GGADHM C[C@H](Nc1ccc(OC2CCCC2)nc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736139334 598397373 /nfs/dbraw/zinc/39/73/73/598397373.db2.gz QCHPRYHBBBFHAR-ZDUSSCGKSA-N -1 3 393.451 3.022 20 0 GGADHM Cc1cccc(C2(CNC(=O)NCc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737387652 598397556 /nfs/dbraw/zinc/39/75/56/598397556.db2.gz ACMGUSMQKZBRGE-UHFFFAOYSA-N -1 3 390.491 3.486 20 0 GGADHM Cc1cccc(C2(CNC(=O)NCc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737387652 598397557 /nfs/dbraw/zinc/39/75/57/598397557.db2.gz ACMGUSMQKZBRGE-UHFFFAOYSA-N -1 3 390.491 3.486 20 0 GGADHM Cc1ccccc1C1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737422177 598397970 /nfs/dbraw/zinc/39/79/70/598397970.db2.gz LPFRNDGWTBKOPB-MRXNPFEDSA-N -1 3 391.475 3.349 20 0 GGADHM Cc1oc(NC(=O)CN2CCC(c3ccccc3C)CC2)c(-c2nnn[n-]2)c1C ZINC000737421495 598405883 /nfs/dbraw/zinc/40/58/83/598405883.db2.gz JOFRBQOMOCEVLN-UHFFFAOYSA-N -1 3 394.479 3.203 20 0 GGADHM Cc1oc(NC(=O)CN2CCC(c3ccccc3C)CC2)c(-c2nn[n-]n2)c1C ZINC000737421495 598405885 /nfs/dbraw/zinc/40/58/85/598405885.db2.gz JOFRBQOMOCEVLN-UHFFFAOYSA-N -1 3 394.479 3.203 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000735837479 598411097 /nfs/dbraw/zinc/41/10/97/598411097.db2.gz IEDPRACDBYIFHU-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000735837479 598411099 /nfs/dbraw/zinc/41/10/99/598411099.db2.gz IEDPRACDBYIFHU-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737549594 598411605 /nfs/dbraw/zinc/41/16/05/598411605.db2.gz ZJEMSRCMBPODLT-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737549594 598411606 /nfs/dbraw/zinc/41/16/06/598411606.db2.gz ZJEMSRCMBPODLT-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC000738233922 598412524 /nfs/dbraw/zinc/41/25/24/598412524.db2.gz XMTBHCQSBGJVLC-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC000738233922 598412526 /nfs/dbraw/zinc/41/25/26/598412526.db2.gz XMTBHCQSBGJVLC-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000736820064 598412799 /nfs/dbraw/zinc/41/27/99/598412799.db2.gz KIJXKSMPNYCVNC-UHFFFAOYSA-N -1 3 393.451 3.247 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000736820064 598412800 /nfs/dbraw/zinc/41/28/00/598412800.db2.gz KIJXKSMPNYCVNC-UHFFFAOYSA-N -1 3 393.451 3.247 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000589092396 598413270 /nfs/dbraw/zinc/41/32/70/598413270.db2.gz MKYAQPMJADDNSC-SNVBAGLBSA-N -1 3 377.326 3.292 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000589092396 598413271 /nfs/dbraw/zinc/41/32/71/598413271.db2.gz MKYAQPMJADDNSC-SNVBAGLBSA-N -1 3 377.326 3.292 20 0 GGADHM Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737441716 598414089 /nfs/dbraw/zinc/41/40/89/598414089.db2.gz JPXVMDJGNCFRJQ-UHFFFAOYSA-N -1 3 388.435 3.025 20 0 GGADHM Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737441716 598414091 /nfs/dbraw/zinc/41/40/91/598414091.db2.gz JPXVMDJGNCFRJQ-UHFFFAOYSA-N -1 3 388.435 3.025 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2cc(C)ccc2F)c(-c2nnn[n-]2)c1C ZINC000736606148 598415866 /nfs/dbraw/zinc/41/58/66/598415866.db2.gz XTYUTHDAAJQWBZ-UHFFFAOYSA-N -1 3 389.412 3.113 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2cc(C)ccc2F)c(-c2nn[n-]n2)c1C ZINC000736606148 598415868 /nfs/dbraw/zinc/41/58/68/598415868.db2.gz XTYUTHDAAJQWBZ-UHFFFAOYSA-N -1 3 389.412 3.113 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000518415418 598416148 /nfs/dbraw/zinc/41/61/48/598416148.db2.gz BRJUTKSKHXEPPI-JTQLQIEISA-N -1 3 392.246 3.257 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000518415418 598416149 /nfs/dbraw/zinc/41/61/49/598416149.db2.gz BRJUTKSKHXEPPI-JTQLQIEISA-N -1 3 392.246 3.257 20 0 GGADHM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735895461 598417817 /nfs/dbraw/zinc/41/78/17/598417817.db2.gz VXDKYDGRCBSPHM-UHFFFAOYSA-N -1 3 385.811 3.338 20 0 GGADHM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735895461 598417819 /nfs/dbraw/zinc/41/78/19/598417819.db2.gz VXDKYDGRCBSPHM-UHFFFAOYSA-N -1 3 385.811 3.338 20 0 GGADHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736773762 598419701 /nfs/dbraw/zinc/41/97/01/598419701.db2.gz OGUZOVXNFFGHFW-HOTGVXAUSA-N -1 3 382.855 3.328 20 0 GGADHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736773762 598419703 /nfs/dbraw/zinc/41/97/03/598419703.db2.gz OGUZOVXNFFGHFW-HOTGVXAUSA-N -1 3 382.855 3.328 20 0 GGADHM O=C(Cn1ncc2ccccc21)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737986222 598419950 /nfs/dbraw/zinc/41/99/50/598419950.db2.gz WBWGYJNOHULTGY-UHFFFAOYSA-N -1 3 396.410 3.489 20 0 GGADHM O=C(Cn1ncc2ccccc21)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737986222 598419952 /nfs/dbraw/zinc/41/99/52/598419952.db2.gz WBWGYJNOHULTGY-UHFFFAOYSA-N -1 3 396.410 3.489 20 0 GGADHM CCN(C(=O)c1ccc(-c2ncon2)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506447 598421029 /nfs/dbraw/zinc/42/10/29/598421029.db2.gz YOWILCAVBSPRMU-ZDUSSCGKSA-N -1 3 389.419 3.140 20 0 GGADHM CCN(C(=O)c1ccc(-c2ncon2)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506447 598421031 /nfs/dbraw/zinc/42/10/31/598421031.db2.gz YOWILCAVBSPRMU-ZDUSSCGKSA-N -1 3 389.419 3.140 20 0 GGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000737106380 598423996 /nfs/dbraw/zinc/42/39/96/598423996.db2.gz RSZQLZYNNGPJMS-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000737106380 598423998 /nfs/dbraw/zinc/42/39/98/598423998.db2.gz RSZQLZYNNGPJMS-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM CCCCN(C)c1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000736454399 598424055 /nfs/dbraw/zinc/42/40/55/598424055.db2.gz XFEHITWXQFSTME-UHFFFAOYSA-N -1 3 380.452 3.121 20 0 GGADHM CCCCN(C)c1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000736454399 598424057 /nfs/dbraw/zinc/42/40/57/598424057.db2.gz XFEHITWXQFSTME-UHFFFAOYSA-N -1 3 380.452 3.121 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2c1OCCO2 ZINC000735875007 598425401 /nfs/dbraw/zinc/42/54/01/598425401.db2.gz XSUZSKDDNVVBOK-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2c1OCCO2 ZINC000735875007 598425402 /nfs/dbraw/zinc/42/54/02/598425402.db2.gz XSUZSKDDNVVBOK-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000735875543 598427992 /nfs/dbraw/zinc/42/79/92/598427992.db2.gz VNJZWHXBUVDGQQ-SFHVURJKSA-N -1 3 392.463 3.311 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000735875543 598427993 /nfs/dbraw/zinc/42/79/93/598427993.db2.gz VNJZWHXBUVDGQQ-SFHVURJKSA-N -1 3 392.463 3.311 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000735874037 598429220 /nfs/dbraw/zinc/42/92/20/598429220.db2.gz GTFAUTVHAYOWQY-GOSISDBHSA-N -1 3 376.464 3.127 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000735874037 598429222 /nfs/dbraw/zinc/42/92/22/598429222.db2.gz GTFAUTVHAYOWQY-GOSISDBHSA-N -1 3 376.464 3.127 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000737221835 598429439 /nfs/dbraw/zinc/42/94/39/598429439.db2.gz SKOZXHORLIXKRK-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000737221835 598429440 /nfs/dbraw/zinc/42/94/40/598429440.db2.gz SKOZXHORLIXKRK-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115432 598429593 /nfs/dbraw/zinc/42/95/93/598429593.db2.gz XXHCVDAYYUKXOI-XJKSGUPXSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115432 598429594 /nfs/dbraw/zinc/42/95/94/598429594.db2.gz XXHCVDAYYUKXOI-XJKSGUPXSA-N -1 3 380.427 3.266 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)COc1ccccc1 ZINC000736040932 598429650 /nfs/dbraw/zinc/42/96/50/598429650.db2.gz SILPRMOMNUGPIG-INIZCTEOSA-N -1 3 394.479 3.254 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)COc1ccccc1 ZINC000736040932 598429652 /nfs/dbraw/zinc/42/96/52/598429652.db2.gz SILPRMOMNUGPIG-INIZCTEOSA-N -1 3 394.479 3.254 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000736066972 598429965 /nfs/dbraw/zinc/42/99/65/598429965.db2.gz SCQNKVLHWKHCLD-AWEZNQCLSA-N -1 3 384.509 3.479 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000736066972 598429967 /nfs/dbraw/zinc/42/99/67/598429967.db2.gz SCQNKVLHWKHCLD-AWEZNQCLSA-N -1 3 384.509 3.479 20 0 GGADHM O=c1[nH]c(C(Cl)=Cc2ccc(-c3nnn[n-]3)cc2)nc2ccc(Cl)cc12 ZINC000738373299 598431056 /nfs/dbraw/zinc/43/10/56/598431056.db2.gz ADAXYCXFLSYTLQ-QPEQYQDCSA-N -1 3 385.214 3.494 20 0 GGADHM O=c1[nH]c(C(Cl)=Cc2ccc(-c3nn[n-]n3)cc2)nc2ccc(Cl)cc12 ZINC000738373299 598431058 /nfs/dbraw/zinc/43/10/58/598431058.db2.gz ADAXYCXFLSYTLQ-QPEQYQDCSA-N -1 3 385.214 3.494 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737151859 598431551 /nfs/dbraw/zinc/43/15/51/598431551.db2.gz GJQLIVGYSNLXGD-HNNXBMFYSA-N -1 3 396.447 3.066 20 0 GGADHM CSc1ccsc1C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737193288 598431784 /nfs/dbraw/zinc/43/17/84/598431784.db2.gz ZVLBADNZEBGFGA-UHFFFAOYSA-N -1 3 376.463 3.276 20 0 GGADHM O=C(OCc1ccccc1-c1nnn[n-]1)C1(c2ccccc2Cl)CCOCC1 ZINC000738234748 598432471 /nfs/dbraw/zinc/43/24/71/598432471.db2.gz LVDLYCSQTJEWAP-UHFFFAOYSA-N -1 3 398.850 3.312 20 0 GGADHM O=C(OCc1ccccc1-c1nn[n-]n1)C1(c2ccccc2Cl)CCOCC1 ZINC000738234748 598432472 /nfs/dbraw/zinc/43/24/72/598432472.db2.gz LVDLYCSQTJEWAP-UHFFFAOYSA-N -1 3 398.850 3.312 20 0 GGADHM O=C(Nc1nc2c(cccc2C(F)(F)F)s1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738207432 598440212 /nfs/dbraw/zinc/44/02/12/598440212.db2.gz BKUHZNFMFTUOJV-UHFFFAOYSA-N -1 3 391.338 3.143 20 0 GGADHM O=C(Nc1nc2c(cccc2C(F)(F)F)s1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738207432 598440214 /nfs/dbraw/zinc/44/02/14/598440214.db2.gz BKUHZNFMFTUOJV-UHFFFAOYSA-N -1 3 391.338 3.143 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738144848 598441311 /nfs/dbraw/zinc/44/13/11/598441311.db2.gz GVHWUDWIUACPSQ-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738144848 598441314 /nfs/dbraw/zinc/44/13/14/598441314.db2.gz GVHWUDWIUACPSQ-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000609521268 598441633 /nfs/dbraw/zinc/44/16/33/598441633.db2.gz INIQMYYMWXUVQD-GOSISDBHSA-N -1 3 381.505 3.441 20 0 GGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000609521268 598441636 /nfs/dbraw/zinc/44/16/36/598441636.db2.gz INIQMYYMWXUVQD-GOSISDBHSA-N -1 3 381.505 3.441 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000738260264 598441661 /nfs/dbraw/zinc/44/16/61/598441661.db2.gz AGVOMKCZMQUHIM-INIZCTEOSA-N -1 3 394.485 3.173 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000738260264 598441663 /nfs/dbraw/zinc/44/16/63/598441663.db2.gz AGVOMKCZMQUHIM-INIZCTEOSA-N -1 3 394.485 3.173 20 0 GGADHM CC[C@H](C)[C@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825052162 607356967 /nfs/dbraw/zinc/35/69/67/607356967.db2.gz VKTDHXCAEDRGIS-LIRRHRJNSA-N -1 3 378.432 3.423 20 0 GGADHM CC[C@H](C)[C@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825052162 607356969 /nfs/dbraw/zinc/35/69/69/607356969.db2.gz VKTDHXCAEDRGIS-LIRRHRJNSA-N -1 3 378.432 3.423 20 0 GGADHM O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737997631 598445755 /nfs/dbraw/zinc/44/57/55/598445755.db2.gz LLEPNKSKGYTKJF-MRXNPFEDSA-N -1 3 396.863 3.496 20 0 GGADHM O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737997631 598445757 /nfs/dbraw/zinc/44/57/57/598445757.db2.gz LLEPNKSKGYTKJF-MRXNPFEDSA-N -1 3 396.863 3.496 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1cccs1)c1ccc(F)cc1F ZINC000738260427 598446614 /nfs/dbraw/zinc/44/66/14/598446614.db2.gz DMJYFJSYSLNDJW-UHFFFAOYSA-N -1 3 398.398 3.448 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1cccs1)c1ccc(F)cc1F ZINC000738260427 598446615 /nfs/dbraw/zinc/44/66/15/598446615.db2.gz DMJYFJSYSLNDJW-UHFFFAOYSA-N -1 3 398.398 3.448 20 0 GGADHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000735671861 598449765 /nfs/dbraw/zinc/44/97/65/598449765.db2.gz OTOIMDZFVWOWTK-UHFFFAOYSA-N -1 3 377.235 3.234 20 0 GGADHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000735671861 598449767 /nfs/dbraw/zinc/44/97/67/598449767.db2.gz OTOIMDZFVWOWTK-UHFFFAOYSA-N -1 3 377.235 3.234 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCc1ccccc1 ZINC000736171472 598450146 /nfs/dbraw/zinc/45/01/46/598450146.db2.gz WKTYIFWXUTWYID-OAHLLOKOSA-N -1 3 379.464 3.162 20 0 GGADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1sccc1-c1nnn[n-]1 ZINC000737464625 598450658 /nfs/dbraw/zinc/45/06/58/598450658.db2.gz RCVMBLJLEVASCP-UHFFFAOYSA-N -1 3 382.474 3.290 20 0 GGADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1sccc1-c1nn[n-]n1 ZINC000737464625 598450659 /nfs/dbraw/zinc/45/06/59/598450659.db2.gz RCVMBLJLEVASCP-UHFFFAOYSA-N -1 3 382.474 3.290 20 0 GGADHM COc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737072843 598452302 /nfs/dbraw/zinc/45/23/02/598452302.db2.gz NYBAFGACKDKGPE-JTQLQIEISA-N -1 3 389.362 3.219 20 0 GGADHM COc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737072843 598452304 /nfs/dbraw/zinc/45/23/04/598452304.db2.gz NYBAFGACKDKGPE-JTQLQIEISA-N -1 3 389.362 3.219 20 0 GGADHM Fc1ccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)CCO2)cc1Cl ZINC000737649521 598461278 /nfs/dbraw/zinc/46/12/78/598461278.db2.gz MYMPCJYHNAGQKZ-KRWDZBQOSA-N -1 3 391.809 3.372 20 0 GGADHM Fc1ccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)CCO2)cc1Cl ZINC000737649521 598461279 /nfs/dbraw/zinc/46/12/79/598461279.db2.gz MYMPCJYHNAGQKZ-KRWDZBQOSA-N -1 3 391.809 3.372 20 0 GGADHM CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736511359 598463913 /nfs/dbraw/zinc/46/39/13/598463913.db2.gz HGDODNLNNPIUSZ-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736511359 598463915 /nfs/dbraw/zinc/46/39/15/598463915.db2.gz HGDODNLNNPIUSZ-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM CN(C[C@@H]1CCCOC1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736793569 598466434 /nfs/dbraw/zinc/46/64/34/598466434.db2.gz XXBIDEVCJPARSB-HNNXBMFYSA-N -1 3 377.448 3.032 20 0 GGADHM CN(C[C@@H]1CCCOC1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736793569 598466435 /nfs/dbraw/zinc/46/64/35/598466435.db2.gz XXBIDEVCJPARSB-HNNXBMFYSA-N -1 3 377.448 3.032 20 0 GGADHM C[C@@H]1C[C@H](CC(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736225457 598472777 /nfs/dbraw/zinc/47/27/77/598472777.db2.gz CGXWEGPMMVFQNP-VXGBXAGGSA-N -1 3 391.497 3.262 20 0 GGADHM C[C@@H]1C[C@H](CC(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736225457 598472778 /nfs/dbraw/zinc/47/27/78/598472778.db2.gz CGXWEGPMMVFQNP-VXGBXAGGSA-N -1 3 391.497 3.262 20 0 GGADHM O=C(CCc1ccccc1OC(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737857820 598473195 /nfs/dbraw/zinc/47/31/95/598473195.db2.gz UYHOQMDFNIZMDS-UHFFFAOYSA-N -1 3 392.337 3.441 20 0 GGADHM O=C(CCc1ccccc1OC(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737857820 598473198 /nfs/dbraw/zinc/47/31/98/598473198.db2.gz UYHOQMDFNIZMDS-UHFFFAOYSA-N -1 3 392.337 3.441 20 0 GGADHM CN(C)c1ccccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736778114 598474406 /nfs/dbraw/zinc/47/44/06/598474406.db2.gz ASEJFPBMMPEVLU-UHFFFAOYSA-N -1 3 377.452 3.129 20 0 GGADHM CN(C)c1ccccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736778114 598474407 /nfs/dbraw/zinc/47/44/07/598474407.db2.gz ASEJFPBMMPEVLU-UHFFFAOYSA-N -1 3 377.452 3.129 20 0 GGADHM COc1ccc(OC)c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737109963 598475209 /nfs/dbraw/zinc/47/52/09/598475209.db2.gz QKUGVJWGHMZVSB-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM COc1ccc(OC)c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737109963 598475210 /nfs/dbraw/zinc/47/52/10/598475210.db2.gz QKUGVJWGHMZVSB-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM Cc1ccccc1C[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737427118 598478008 /nfs/dbraw/zinc/47/80/08/598478008.db2.gz QLKMSPWWIHGFPX-MRXNPFEDSA-N -1 3 390.491 3.480 20 0 GGADHM Cc1ccccc1C[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737427118 598478009 /nfs/dbraw/zinc/47/80/09/598478009.db2.gz QLKMSPWWIHGFPX-MRXNPFEDSA-N -1 3 390.491 3.480 20 0 GGADHM O=C(NCCCOC1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738074412 598479039 /nfs/dbraw/zinc/47/90/39/598479039.db2.gz BZIBFWRDUODVJT-UHFFFAOYSA-N -1 3 398.511 3.280 20 0 GGADHM O=C(NCCCOC1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738074412 598479040 /nfs/dbraw/zinc/47/90/40/598479040.db2.gz BZIBFWRDUODVJT-UHFFFAOYSA-N -1 3 398.511 3.280 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155232 598482765 /nfs/dbraw/zinc/48/27/65/598482765.db2.gz KKSRZGARUDMGCM-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155232 598482766 /nfs/dbraw/zinc/48/27/66/598482766.db2.gz KKSRZGARUDMGCM-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738212090 598485872 /nfs/dbraw/zinc/48/58/72/598485872.db2.gz CAEZEHZIRZHTEY-LBPRGKRZSA-N -1 3 383.717 3.376 20 0 GGADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738212090 598485873 /nfs/dbraw/zinc/48/58/73/598485873.db2.gz CAEZEHZIRZHTEY-LBPRGKRZSA-N -1 3 383.717 3.376 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC000735661112 598487783 /nfs/dbraw/zinc/48/77/83/598487783.db2.gz IWJAHXWDPRCSPD-UHFFFAOYSA-N -1 3 388.435 3.133 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC000735661112 598487785 /nfs/dbraw/zinc/48/77/85/598487785.db2.gz IWJAHXWDPRCSPD-UHFFFAOYSA-N -1 3 388.435 3.133 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162077 598487977 /nfs/dbraw/zinc/48/79/77/598487977.db2.gz GFHGKPKMSMYPQT-AUUYWEPGSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162077 598487978 /nfs/dbraw/zinc/48/79/78/598487978.db2.gz GFHGKPKMSMYPQT-AUUYWEPGSA-N -1 3 394.431 3.343 20 0 GGADHM COc1ccc2c(CC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)coc2c1 ZINC000737114777 598488490 /nfs/dbraw/zinc/48/84/90/598488490.db2.gz LWUDIZKIBLMWOD-GFCCVEGCSA-N -1 3 378.388 3.468 20 0 GGADHM COc1ccc2c(CC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)coc2c1 ZINC000737114777 598488492 /nfs/dbraw/zinc/48/84/92/598488492.db2.gz LWUDIZKIBLMWOD-GFCCVEGCSA-N -1 3 378.388 3.468 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(Br)cs1 ZINC000735662847 598489459 /nfs/dbraw/zinc/48/94/59/598489459.db2.gz YWNJKYSAPXSERO-UHFFFAOYSA-N -1 3 395.286 3.500 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(Br)cs1 ZINC000735662847 598489460 /nfs/dbraw/zinc/48/94/60/598489460.db2.gz YWNJKYSAPXSERO-UHFFFAOYSA-N -1 3 395.286 3.500 20 0 GGADHM CC(C)Oc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735915163 598489882 /nfs/dbraw/zinc/48/98/82/598489882.db2.gz ZCGPRWUXXIUZFS-UHFFFAOYSA-N -1 3 382.468 3.392 20 0 GGADHM CC(C)Oc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735915163 598489883 /nfs/dbraw/zinc/48/98/83/598489883.db2.gz ZCGPRWUXXIUZFS-UHFFFAOYSA-N -1 3 382.468 3.392 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000735660488 598490704 /nfs/dbraw/zinc/49/07/04/598490704.db2.gz BDUOLSZXYPOWFU-UHFFFAOYSA-N -1 3 377.408 3.331 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000735660488 598490706 /nfs/dbraw/zinc/49/07/06/598490706.db2.gz BDUOLSZXYPOWFU-UHFFFAOYSA-N -1 3 377.408 3.331 20 0 GGADHM Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2C)no1 ZINC000737225251 598491109 /nfs/dbraw/zinc/49/11/09/598491109.db2.gz AOVVCFGFPFGBFI-AWEZNQCLSA-N -1 3 392.419 3.489 20 0 GGADHM Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2C)no1 ZINC000737225251 598491111 /nfs/dbraw/zinc/49/11/11/598491111.db2.gz AOVVCFGFPFGBFI-AWEZNQCLSA-N -1 3 392.419 3.489 20 0 GGADHM Cc1csc([C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737454878 598495183 /nfs/dbraw/zinc/49/51/83/598495183.db2.gz IOCFZCIIAQQKRA-QMMMGPOBSA-N -1 3 379.902 3.333 20 0 GGADHM Cc1csc([C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737454878 598495184 /nfs/dbraw/zinc/49/51/84/598495184.db2.gz IOCFZCIIAQQKRA-QMMMGPOBSA-N -1 3 379.902 3.333 20 0 GGADHM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738208465 598499220 /nfs/dbraw/zinc/49/92/20/598499220.db2.gz NLAVOGREPOCPKA-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738208465 598499221 /nfs/dbraw/zinc/49/92/21/598499221.db2.gz NLAVOGREPOCPKA-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000738385333 598504462 /nfs/dbraw/zinc/50/44/62/598504462.db2.gz HSDGOHGEYJYVSY-INIZCTEOSA-N -1 3 388.834 3.004 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000738385333 598504463 /nfs/dbraw/zinc/50/44/63/598504463.db2.gz HSDGOHGEYJYVSY-INIZCTEOSA-N -1 3 388.834 3.004 20 0 GGADHM CN(C)C(=O)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736751563 598505429 /nfs/dbraw/zinc/50/54/29/598505429.db2.gz NDDHEOJWZILDNU-QXMHVHEDSA-N -1 3 394.460 3.292 20 0 GGADHM CN(C)C(=O)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736751563 598505430 /nfs/dbraw/zinc/50/54/30/598505430.db2.gz NDDHEOJWZILDNU-QXMHVHEDSA-N -1 3 394.460 3.292 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccc2nccn2c1 ZINC000738252245 598505668 /nfs/dbraw/zinc/50/56/68/598505668.db2.gz XRBMNKXCRKMOSK-UHFFFAOYSA-N -1 3 382.383 3.401 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc2nccn2c1 ZINC000738252245 598505670 /nfs/dbraw/zinc/50/56/70/598505670.db2.gz XRBMNKXCRKMOSK-UHFFFAOYSA-N -1 3 382.383 3.401 20 0 GGADHM CC1(C)CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736212400 598506403 /nfs/dbraw/zinc/50/64/03/598506403.db2.gz XPQWCBNPIINRLJ-GOSISDBHSA-N -1 3 397.504 3.099 20 0 GGADHM CC1(C)CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736212400 598506405 /nfs/dbraw/zinc/50/64/05/598506405.db2.gz XPQWCBNPIINRLJ-GOSISDBHSA-N -1 3 397.504 3.099 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736397690 598506409 /nfs/dbraw/zinc/50/64/09/598506409.db2.gz USOWHAJJNWUDEX-GOSISDBHSA-N -1 3 385.493 3.170 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736397690 598506411 /nfs/dbraw/zinc/50/64/11/598506411.db2.gz USOWHAJJNWUDEX-GOSISDBHSA-N -1 3 385.493 3.170 20 0 GGADHM Cc1cc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)nc(C(C)C)n1 ZINC000737272886 598507805 /nfs/dbraw/zinc/50/78/05/598507805.db2.gz VJDVTBRTLKHLKU-UHFFFAOYSA-N -1 3 398.902 3.069 20 0 GGADHM Cc1cc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)nc(C(C)C)n1 ZINC000737272886 598507807 /nfs/dbraw/zinc/50/78/07/598507807.db2.gz VJDVTBRTLKHLKU-UHFFFAOYSA-N -1 3 398.902 3.069 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1csc(-c2ccoc2)n1 ZINC000738235819 598513753 /nfs/dbraw/zinc/51/37/53/598513753.db2.gz XCQHYLYRKMEJMN-UHFFFAOYSA-N -1 3 392.400 3.193 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1csc(-c2ccoc2)n1 ZINC000738235819 598513756 /nfs/dbraw/zinc/51/37/56/598513756.db2.gz XCQHYLYRKMEJMN-UHFFFAOYSA-N -1 3 392.400 3.193 20 0 GGADHM CCSc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cn1 ZINC000736665189 598514038 /nfs/dbraw/zinc/51/40/38/598514038.db2.gz FKIVFFBZNKPFEK-UHFFFAOYSA-N -1 3 391.840 3.255 20 0 GGADHM CCSc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cn1 ZINC000736665189 598514040 /nfs/dbraw/zinc/51/40/40/598514040.db2.gz FKIVFFBZNKPFEK-UHFFFAOYSA-N -1 3 391.840 3.255 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)c1-c1nnn[n-]1 ZINC000736669276 598515017 /nfs/dbraw/zinc/51/50/17/598515017.db2.gz BZCOAJBVQDKUAK-LLVKDONJSA-N -1 3 399.476 3.408 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)c1-c1nn[n-]n1 ZINC000736669276 598515019 /nfs/dbraw/zinc/51/50/19/598515019.db2.gz BZCOAJBVQDKUAK-LLVKDONJSA-N -1 3 399.476 3.408 20 0 GGADHM CCc1c(C)sc(NC(=O)CCOc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000736670428 598515065 /nfs/dbraw/zinc/51/50/65/598515065.db2.gz PNWOEVMDOCCIJK-UHFFFAOYSA-N -1 3 375.429 3.346 20 0 GGADHM CCc1c(C)sc(NC(=O)CCOc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000736670428 598515067 /nfs/dbraw/zinc/51/50/67/598515067.db2.gz PNWOEVMDOCCIJK-UHFFFAOYSA-N -1 3 375.429 3.346 20 0 GGADHM CCc1c(C)sc(NC(=O)C2(c3ccccc3OC)CC2)c1-c1nnn[n-]1 ZINC000736670420 598515292 /nfs/dbraw/zinc/51/52/92/598515292.db2.gz PFGDMMCOMIATQS-UHFFFAOYSA-N -1 3 383.477 3.478 20 0 GGADHM CCc1c(C)sc(NC(=O)C2(c3ccccc3OC)CC2)c1-c1nn[n-]n1 ZINC000736670420 598515293 /nfs/dbraw/zinc/51/52/93/598515293.db2.gz PFGDMMCOMIATQS-UHFFFAOYSA-N -1 3 383.477 3.478 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826282930 607359628 /nfs/dbraw/zinc/35/96/28/607359628.db2.gz GJCKRMALPIZDDP-UHFFFAOYSA-N -1 3 394.431 3.103 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826282930 607359630 /nfs/dbraw/zinc/35/96/30/607359630.db2.gz GJCKRMALPIZDDP-UHFFFAOYSA-N -1 3 394.431 3.103 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cc3c(c(Cl)c2)OCO3)c1-c1nnn[n-]1 ZINC000736675229 598517767 /nfs/dbraw/zinc/51/77/67/598517767.db2.gz HECZHXNIRVDFQX-UHFFFAOYSA-N -1 3 391.840 3.433 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cc3c(c(Cl)c2)OCO3)c1-c1nn[n-]n1 ZINC000736675229 598517770 /nfs/dbraw/zinc/51/77/70/598517770.db2.gz HECZHXNIRVDFQX-UHFFFAOYSA-N -1 3 391.840 3.433 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736426020 598518025 /nfs/dbraw/zinc/51/80/25/598518025.db2.gz MWVRCWGESOPQCJ-YJBOKZPZSA-N -1 3 379.464 3.162 20 0 GGADHM CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736352596 598518157 /nfs/dbraw/zinc/51/81/57/598518157.db2.gz SZTDZYXBCCNPSQ-FXAWDEMLSA-N -1 3 393.491 3.408 20 0 GGADHM CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736352596 598518158 /nfs/dbraw/zinc/51/81/58/598518158.db2.gz SZTDZYXBCCNPSQ-FXAWDEMLSA-N -1 3 393.491 3.408 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737145217 598520153 /nfs/dbraw/zinc/52/01/53/598520153.db2.gz BXXSCRVDCWSALC-GOSISDBHSA-N -1 3 377.448 3.172 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737145217 598520155 /nfs/dbraw/zinc/52/01/55/598520155.db2.gz BXXSCRVDCWSALC-GOSISDBHSA-N -1 3 377.448 3.172 20 0 GGADHM COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737149091 598520208 /nfs/dbraw/zinc/52/02/08/598520208.db2.gz WGJXCRIZYODYED-KDOFPFPSSA-N -1 3 393.447 3.006 20 0 GGADHM CCOc1ccccc1CCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736652961 598527206 /nfs/dbraw/zinc/52/72/06/598527206.db2.gz DELCQKBUNJZHFQ-UHFFFAOYSA-N -1 3 397.483 3.186 20 0 GGADHM CCOc1ccccc1CCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736652961 598527208 /nfs/dbraw/zinc/52/72/08/598527208.db2.gz DELCQKBUNJZHFQ-UHFFFAOYSA-N -1 3 397.483 3.186 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000736478588 598528394 /nfs/dbraw/zinc/52/83/94/598528394.db2.gz DXBLIRANDONTGW-CYBMUJFWSA-N -1 3 385.497 3.314 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000736478588 598528396 /nfs/dbraw/zinc/52/83/96/598528396.db2.gz DXBLIRANDONTGW-CYBMUJFWSA-N -1 3 385.497 3.314 20 0 GGADHM CC(C)(C)OC(=O)NCc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735639192 598530663 /nfs/dbraw/zinc/53/06/63/598530663.db2.gz DTBPQUGYTOFKRQ-UHFFFAOYSA-N -1 3 395.419 3.111 20 0 GGADHM CC(C)(C)OC(=O)NCc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735639192 598530665 /nfs/dbraw/zinc/53/06/65/598530665.db2.gz DTBPQUGYTOFKRQ-UHFFFAOYSA-N -1 3 395.419 3.111 20 0 GGADHM Cc1nc(CC(C)C)sc1C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737475077 598533482 /nfs/dbraw/zinc/53/34/82/598533482.db2.gz WRPRWTAYCHZUGN-UHFFFAOYSA-N -1 3 387.465 3.066 20 0 GGADHM Cc1nc(CC(C)C)sc1C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737475077 598533484 /nfs/dbraw/zinc/53/34/84/598533484.db2.gz WRPRWTAYCHZUGN-UHFFFAOYSA-N -1 3 387.465 3.066 20 0 GGADHM CC1(CNC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCCC1 ZINC000736217567 598534478 /nfs/dbraw/zinc/53/44/78/598534478.db2.gz XKWZGRHURUAMOJ-UHFFFAOYSA-N -1 3 381.436 3.349 20 0 GGADHM CC1(CNC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCCC1 ZINC000736217567 598534480 /nfs/dbraw/zinc/53/44/80/598534480.db2.gz XKWZGRHURUAMOJ-UHFFFAOYSA-N -1 3 381.436 3.349 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c(-c2nnn[n-]2)c1C ZINC000737559847 598535040 /nfs/dbraw/zinc/53/50/40/598535040.db2.gz AQNXJEPDURLATL-NSHDSACASA-N -1 3 389.868 3.388 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c(-c2nn[n-]n2)c1C ZINC000737559847 598535041 /nfs/dbraw/zinc/53/50/41/598535041.db2.gz AQNXJEPDURLATL-NSHDSACASA-N -1 3 389.868 3.388 20 0 GGADHM Cc1sc(NC(=O)c2cnn(Cc3ccccc3)c2)c(-c2nnn[n-]2)c1C ZINC000737564739 598536827 /nfs/dbraw/zinc/53/68/27/598536827.db2.gz SGUQXQYOPLBHDT-UHFFFAOYSA-N -1 3 379.449 3.042 20 0 GGADHM Cc1sc(NC(=O)c2cnn(Cc3ccccc3)c2)c(-c2nn[n-]n2)c1C ZINC000737564739 598536829 /nfs/dbraw/zinc/53/68/29/598536829.db2.gz SGUQXQYOPLBHDT-UHFFFAOYSA-N -1 3 379.449 3.042 20 0 GGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736267079 598538406 /nfs/dbraw/zinc/53/84/06/598538406.db2.gz AOIKFAWJGHUVPE-CXAGYDPISA-N -1 3 381.436 3.347 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1scnc1-c1ccccc1 ZINC000737924112 598541233 /nfs/dbraw/zinc/54/12/33/598541233.db2.gz AEXUMLBVEXTPAU-UHFFFAOYSA-N -1 3 378.417 3.008 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1scnc1-c1ccccc1 ZINC000737924112 598541234 /nfs/dbraw/zinc/54/12/34/598541234.db2.gz AEXUMLBVEXTPAU-UHFFFAOYSA-N -1 3 378.417 3.008 20 0 GGADHM O=C(NC[C@H]1CCOc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738050880 598544131 /nfs/dbraw/zinc/54/41/31/598544131.db2.gz HZLVPQNLTNZPLW-LLVKDONJSA-N -1 3 384.827 3.208 20 0 GGADHM O=C(NC[C@H]1CCOc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738050880 598544133 /nfs/dbraw/zinc/54/41/33/598544133.db2.gz HZLVPQNLTNZPLW-LLVKDONJSA-N -1 3 384.827 3.208 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1C(F)(F)F ZINC000737925621 598544185 /nfs/dbraw/zinc/54/41/85/598544185.db2.gz WYRBESVJHKDEOY-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1C(F)(F)F ZINC000737925621 598544186 /nfs/dbraw/zinc/54/41/86/598544186.db2.gz WYRBESVJHKDEOY-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM CCSc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)ccn1 ZINC000736666041 598545251 /nfs/dbraw/zinc/54/52/51/598545251.db2.gz KRRBYFIMSQWLRM-UHFFFAOYSA-N -1 3 392.391 3.227 20 0 GGADHM CCSc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)ccn1 ZINC000736666041 598545253 /nfs/dbraw/zinc/54/52/53/598545253.db2.gz KRRBYFIMSQWLRM-UHFFFAOYSA-N -1 3 392.391 3.227 20 0 GGADHM CCOc1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)c(F)c3)n2)cc1 ZINC000736633576 598546438 /nfs/dbraw/zinc/54/64/38/598546438.db2.gz AOBLXRADXQCUMK-UHFFFAOYSA-N -1 3 382.355 3.034 20 0 GGADHM CCOc1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)c(F)c3)n2)cc1 ZINC000736633576 598546439 /nfs/dbraw/zinc/54/64/39/598546439.db2.gz AOBLXRADXQCUMK-UHFFFAOYSA-N -1 3 382.355 3.034 20 0 GGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736172996 598546643 /nfs/dbraw/zinc/54/66/43/598546643.db2.gz FMXQLLNNGCXXPZ-VIFPVBQESA-N -1 3 393.325 3.013 20 0 GGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736172996 598546644 /nfs/dbraw/zinc/54/66/44/598546644.db2.gz FMXQLLNNGCXXPZ-VIFPVBQESA-N -1 3 393.325 3.013 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000736171301 598548055 /nfs/dbraw/zinc/54/80/55/598548055.db2.gz VJQSMQFISAQVJO-ZDUSSCGKSA-N -1 3 399.882 3.381 20 0 GGADHM CC[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736401315 598548282 /nfs/dbraw/zinc/54/82/82/598548282.db2.gz IEKTWCKGDIUQCC-CQSZACIVSA-N -1 3 381.436 3.301 20 0 GGADHM C[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc2ccccc2c1 ZINC000736105840 598548446 /nfs/dbraw/zinc/54/84/46/598548446.db2.gz RDEJXXLEFITDHD-ZDUSSCGKSA-N -1 3 391.406 3.415 20 0 GGADHM C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc2ccccc2c1 ZINC000736105840 598548448 /nfs/dbraw/zinc/54/84/48/598548448.db2.gz RDEJXXLEFITDHD-ZDUSSCGKSA-N -1 3 391.406 3.415 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000738146233 598550323 /nfs/dbraw/zinc/55/03/23/598550323.db2.gz VIZRWTZBFRMVIA-AWEZNQCLSA-N -1 3 376.203 3.116 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000738146233 598550325 /nfs/dbraw/zinc/55/03/25/598550325.db2.gz VIZRWTZBFRMVIA-AWEZNQCLSA-N -1 3 376.203 3.116 20 0 GGADHM COc1ccc(Br)cc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737065326 598550510 /nfs/dbraw/zinc/55/05/10/598550510.db2.gz JCDVPVQQYRPNAD-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM COc1ccc(Br)cc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737065326 598550512 /nfs/dbraw/zinc/55/05/12/598550512.db2.gz JCDVPVQQYRPNAD-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM CC(C)[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC000735720556 598551646 /nfs/dbraw/zinc/55/16/46/598551646.db2.gz GIFWMKLIGULZEV-SFHVURJKSA-N -1 3 387.390 3.037 20 0 GGADHM CC(C)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC000735720556 598551647 /nfs/dbraw/zinc/55/16/47/598551647.db2.gz GIFWMKLIGULZEV-SFHVURJKSA-N -1 3 387.390 3.037 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc2cccnc21 ZINC000738144261 598551867 /nfs/dbraw/zinc/55/18/67/598551867.db2.gz BNUIGCCQDJQIFZ-UHFFFAOYSA-N -1 3 382.330 3.269 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc2cccnc21 ZINC000738144261 598551868 /nfs/dbraw/zinc/55/18/68/598551868.db2.gz BNUIGCCQDJQIFZ-UHFFFAOYSA-N -1 3 382.330 3.269 20 0 GGADHM c1cc2c(ncnc2Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)[nH]1 ZINC000738412944 598551888 /nfs/dbraw/zinc/55/18/88/598551888.db2.gz KANXXKHORFXPAE-UHFFFAOYSA-N -1 3 384.403 3.461 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)n1cccn1 ZINC000735558385 598552706 /nfs/dbraw/zinc/55/27/06/598552706.db2.gz AYYSNXJNYPCVGA-ZDUSSCGKSA-N -1 3 375.392 3.055 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)n1cccn1 ZINC000735558385 598552708 /nfs/dbraw/zinc/55/27/08/598552708.db2.gz AYYSNXJNYPCVGA-ZDUSSCGKSA-N -1 3 375.392 3.055 20 0 GGADHM CCc1ncncc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736706706 598553514 /nfs/dbraw/zinc/55/35/14/598553514.db2.gz ZBKAICHEBYCVHV-UHFFFAOYSA-N -1 3 387.403 3.264 20 0 GGADHM CCc1ncncc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736706706 598553517 /nfs/dbraw/zinc/55/35/17/598553517.db2.gz ZBKAICHEBYCVHV-UHFFFAOYSA-N -1 3 387.403 3.264 20 0 GGADHM C[C@H](OCC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736162573 598554555 /nfs/dbraw/zinc/55/45/55/598554555.db2.gz CPGZOTZOKCHMIA-ZDUSSCGKSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H](OCC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736162573 598554556 /nfs/dbraw/zinc/55/45/56/598554556.db2.gz CPGZOTZOKCHMIA-ZDUSSCGKSA-N -1 3 379.420 3.413 20 0 GGADHM Cc1cnc(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)c2)o1 ZINC000737446654 598555532 /nfs/dbraw/zinc/55/55/32/598555532.db2.gz ROUDNSKPXXTVCV-CYBMUJFWSA-N -1 3 390.403 3.236 20 0 GGADHM Cc1cnc(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)c2)o1 ZINC000737446654 598555534 /nfs/dbraw/zinc/55/55/34/598555534.db2.gz ROUDNSKPXXTVCV-CYBMUJFWSA-N -1 3 390.403 3.236 20 0 GGADHM CCc1cc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n2ncnc2n1 ZINC000736677877 598556299 /nfs/dbraw/zinc/55/62/99/598556299.db2.gz QJOPSNQFFKXDIS-UHFFFAOYSA-N -1 3 399.418 3.403 20 0 GGADHM CCc1cc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n2ncnc2n1 ZINC000736677877 598556301 /nfs/dbraw/zinc/55/63/01/598556301.db2.gz QJOPSNQFFKXDIS-UHFFFAOYSA-N -1 3 399.418 3.403 20 0 GGADHM CC(C)(C)OCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735639440 598557987 /nfs/dbraw/zinc/55/79/87/598557987.db2.gz HHWNKFXNYLLZTD-UHFFFAOYSA-N -1 3 386.408 3.011 20 0 GGADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738316494 598558775 /nfs/dbraw/zinc/55/87/75/598558775.db2.gz BMIZIGLALANZSF-BQYQJAHWSA-N -1 3 380.788 3.039 20 0 GGADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738316494 598558777 /nfs/dbraw/zinc/55/87/77/598558777.db2.gz BMIZIGLALANZSF-BQYQJAHWSA-N -1 3 380.788 3.039 20 0 GGADHM O=C1N[C@H](c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)Nc2ccccc21 ZINC000738315566 598560901 /nfs/dbraw/zinc/56/09/01/598560901.db2.gz KPAVSRIOZGGEPJ-HXUWFJFHSA-N -1 3 398.426 3.300 20 0 GGADHM O=C1N[C@H](c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)Nc2ccccc21 ZINC000738315566 598560904 /nfs/dbraw/zinc/56/09/04/598560904.db2.gz KPAVSRIOZGGEPJ-HXUWFJFHSA-N -1 3 398.426 3.300 20 0 GGADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736505352 598561441 /nfs/dbraw/zinc/56/14/41/598561441.db2.gz HFXLLOHLEBYPLH-AWEZNQCLSA-N -1 3 380.452 3.360 20 0 GGADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736505352 598561444 /nfs/dbraw/zinc/56/14/44/598561444.db2.gz HFXLLOHLEBYPLH-AWEZNQCLSA-N -1 3 380.452 3.360 20 0 GGADHM CO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000736960942 598565831 /nfs/dbraw/zinc/56/58/31/598565831.db2.gz ISGPCEOUTZLDOG-GOSISDBHSA-N -1 3 394.435 3.302 20 0 GGADHM CO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000736960942 598565832 /nfs/dbraw/zinc/56/58/32/598565832.db2.gz ISGPCEOUTZLDOG-GOSISDBHSA-N -1 3 394.435 3.302 20 0 GGADHM CN(C)C(=O)Sc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736751046 598567117 /nfs/dbraw/zinc/56/71/17/598567117.db2.gz GJBPVNQPJAWUQW-UHFFFAOYSA-N -1 3 396.476 3.212 20 0 GGADHM CN(C)C(=O)Sc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736751046 598567118 /nfs/dbraw/zinc/56/71/18/598567118.db2.gz GJBPVNQPJAWUQW-UHFFFAOYSA-N -1 3 396.476 3.212 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(-c2nnn[n-]2)c1 ZINC000738329823 598567596 /nfs/dbraw/zinc/56/75/96/598567596.db2.gz LFHKWWBGPKJVBM-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(-c2nn[n-]n2)c1 ZINC000738329823 598567598 /nfs/dbraw/zinc/56/75/98/598567598.db2.gz LFHKWWBGPKJVBM-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM Cc1ccccc1-n1ccnc1SCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737415129 598568048 /nfs/dbraw/zinc/56/80/48/598568048.db2.gz JRBOYZDZSJHLOH-UHFFFAOYSA-N -1 3 376.445 3.336 20 0 GGADHM Cc1ccccc1-n1ccnc1SCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737415129 598568050 /nfs/dbraw/zinc/56/80/50/598568050.db2.gz JRBOYZDZSJHLOH-UHFFFAOYSA-N -1 3 376.445 3.336 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735656120 598568104 /nfs/dbraw/zinc/56/81/04/598568104.db2.gz VDMRLSHTYQFVHL-CHWSQXEVSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735656120 598568105 /nfs/dbraw/zinc/56/81/05/598568105.db2.gz VDMRLSHTYQFVHL-CHWSQXEVSA-N -1 3 386.406 3.444 20 0 GGADHM O=C(Nc1sccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000731471196 598569389 /nfs/dbraw/zinc/56/93/89/598569389.db2.gz SEDRPKIFEMBDKM-UHFFFAOYSA-N -1 3 380.389 3.026 20 0 GGADHM O=C(Nc1sccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000731471196 598569390 /nfs/dbraw/zinc/56/93/90/598569390.db2.gz SEDRPKIFEMBDKM-UHFFFAOYSA-N -1 3 380.389 3.026 20 0 GGADHM O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738027255 598570787 /nfs/dbraw/zinc/57/07/87/598570787.db2.gz YCJLQUOXABXOTB-VQTJNVASSA-N -1 3 388.475 3.029 20 0 GGADHM O=C(OCc1ccccc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738235483 598571167 /nfs/dbraw/zinc/57/11/67/598571167.db2.gz RYBQQFBRRRCNCG-QGZVFWFLSA-N -1 3 383.839 3.232 20 0 GGADHM CC(C)Sc1ccccc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824337638 607359074 /nfs/dbraw/zinc/35/90/74/607359074.db2.gz FERHSOJIHYQTPO-UHFFFAOYSA-N -1 3 382.445 3.407 20 0 GGADHM CC(C)Sc1ccccc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824337638 607359076 /nfs/dbraw/zinc/35/90/76/607359076.db2.gz FERHSOJIHYQTPO-UHFFFAOYSA-N -1 3 382.445 3.407 20 0 GGADHM CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736816916 598574189 /nfs/dbraw/zinc/57/41/89/598574189.db2.gz PBWHMNDNNOBVIJ-GOSISDBHSA-N -1 3 396.882 3.148 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736683496 598575730 /nfs/dbraw/zinc/57/57/30/598575730.db2.gz DPNQFILJDCWASY-YWZLYKJASA-N -1 3 390.491 3.275 20 0 GGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738025290 598576470 /nfs/dbraw/zinc/57/64/70/598576470.db2.gz MDFYPPJDVAMNIL-ZCDKGFTFSA-N -1 3 394.523 3.311 20 0 GGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736275964 598578210 /nfs/dbraw/zinc/57/82/10/598578210.db2.gz FPYWRUWGBFYKGA-QRWLVFNGSA-N -1 3 388.475 3.376 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737319760 598578718 /nfs/dbraw/zinc/57/87/18/598578718.db2.gz GQQFOZCOHIDWDI-CJNGLKHVSA-N -1 3 382.493 3.083 20 0 GGADHM OCCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(C(F)(F)F)c1 ZINC000738397255 598582906 /nfs/dbraw/zinc/58/29/06/598582906.db2.gz OVNVLTJHDNDXFO-UHFFFAOYSA-N -1 3 397.332 3.008 20 0 GGADHM OCCOc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(C(F)(F)F)c1 ZINC000738397255 598582907 /nfs/dbraw/zinc/58/29/07/598582907.db2.gz OVNVLTJHDNDXFO-UHFFFAOYSA-N -1 3 397.332 3.008 20 0 GGADHM CC[C@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736384268 598584452 /nfs/dbraw/zinc/58/44/52/598584452.db2.gz WQMAOGTYAAUELU-UGSOOPFHSA-N -1 3 382.420 3.337 20 0 GGADHM Cc1ccccc1C1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000737422929 598585066 /nfs/dbraw/zinc/58/50/66/598585066.db2.gz SYJLSYIDQSIVAM-UHFFFAOYSA-N -1 3 381.411 3.001 20 0 GGADHM Cc1ccccc1C1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000737422929 598585068 /nfs/dbraw/zinc/58/50/68/598585068.db2.gz SYJLSYIDQSIVAM-UHFFFAOYSA-N -1 3 381.411 3.001 20 0 GGADHM Cc1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1cccc(C)c1 ZINC000737382226 598588267 /nfs/dbraw/zinc/58/82/67/598588267.db2.gz UDFDZHUOGNMNLU-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cnn1-c1cccc(C)c1 ZINC000737382226 598588268 /nfs/dbraw/zinc/58/82/68/598588268.db2.gz UDFDZHUOGNMNLU-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM CCN(C(=O)CCOc1cccc(C=O)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505305 598589223 /nfs/dbraw/zinc/58/92/23/598589223.db2.gz KZJGJMOOXUWYKH-OAHLLOKOSA-N -1 3 393.447 3.058 20 0 GGADHM CCN(C(=O)CCOc1cccc(C=O)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505305 598589224 /nfs/dbraw/zinc/58/92/24/598589224.db2.gz KZJGJMOOXUWYKH-OAHLLOKOSA-N -1 3 393.447 3.058 20 0 GGADHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735499627 598590287 /nfs/dbraw/zinc/59/02/87/598590287.db2.gz PSDLBZHZWFKEGA-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735499627 598590289 /nfs/dbraw/zinc/59/02/89/598590289.db2.gz PSDLBZHZWFKEGA-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM Cc1ccccc1CC(C)(C)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737420787 598593689 /nfs/dbraw/zinc/59/36/89/598593689.db2.gz HEZVZTIPTMRPRL-OAHLLOKOSA-N -1 3 379.464 3.080 20 0 GGADHM Cc1ccccc1CC(C)(C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737420787 598593691 /nfs/dbraw/zinc/59/36/91/598593691.db2.gz HEZVZTIPTMRPRL-OAHLLOKOSA-N -1 3 379.464 3.080 20 0 GGADHM Cc1[nH]nc(NC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)c1C ZINC000737454008 598598078 /nfs/dbraw/zinc/59/80/78/598598078.db2.gz UTJZCTPXRVLEDK-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1[nH]nc(NC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)c1C ZINC000737454008 598598079 /nfs/dbraw/zinc/59/80/79/598598079.db2.gz UTJZCTPXRVLEDK-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000738168212 598598532 /nfs/dbraw/zinc/59/85/32/598598532.db2.gz WBKOGVABNLIOTJ-UHFFFAOYSA-N -1 3 383.774 3.302 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000738168212 598598534 /nfs/dbraw/zinc/59/85/34/598598534.db2.gz WBKOGVABNLIOTJ-UHFFFAOYSA-N -1 3 383.774 3.302 20 0 GGADHM COc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1SC ZINC000737047267 598598667 /nfs/dbraw/zinc/59/86/67/598598667.db2.gz KHCUTZASYCSHHB-NTMALXAHSA-N -1 3 382.445 3.354 20 0 GGADHM COc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1SC ZINC000737047267 598598668 /nfs/dbraw/zinc/59/86/68/598598668.db2.gz KHCUTZASYCSHHB-NTMALXAHSA-N -1 3 382.445 3.354 20 0 GGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1Cl ZINC000821164540 607362496 /nfs/dbraw/zinc/36/24/96/607362496.db2.gz GVNRNJDDXVBUTR-UHFFFAOYSA-N -1 3 388.859 3.191 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737960370 598609473 /nfs/dbraw/zinc/60/94/73/598609473.db2.gz FGIQSZDSSKPHEY-PMACEKPBSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737960370 598609475 /nfs/dbraw/zinc/60/94/75/598609475.db2.gz FGIQSZDSSKPHEY-PMACEKPBSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737919622 598609734 /nfs/dbraw/zinc/60/97/34/598609734.db2.gz OKNDWRQBBVABCU-UYAOXDASSA-N -1 3 391.475 3.163 20 0 GGADHM COc1cc(-c2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc(Cl)c1OC ZINC000737033539 598611194 /nfs/dbraw/zinc/61/11/94/598611194.db2.gz ZMNSKWXMUVVWLC-UHFFFAOYSA-N -1 3 398.810 3.178 20 0 GGADHM COc1cc(-c2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc(Cl)c1OC ZINC000737033539 598611196 /nfs/dbraw/zinc/61/11/96/598611196.db2.gz ZMNSKWXMUVVWLC-UHFFFAOYSA-N -1 3 398.810 3.178 20 0 GGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736496597 598614069 /nfs/dbraw/zinc/61/40/69/598614069.db2.gz HLGZDVHZJCSTDZ-CQSZACIVSA-N -1 3 396.470 3.007 20 0 GGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736496597 598614071 /nfs/dbraw/zinc/61/40/71/598614071.db2.gz HLGZDVHZJCSTDZ-CQSZACIVSA-N -1 3 396.470 3.007 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000735734843 598618283 /nfs/dbraw/zinc/61/82/83/598618283.db2.gz PGGWOBSFVCEIKA-DNVCBOLYSA-N -1 3 379.464 3.490 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000735734843 598618285 /nfs/dbraw/zinc/61/82/85/598618285.db2.gz PGGWOBSFVCEIKA-DNVCBOLYSA-N -1 3 379.464 3.490 20 0 GGADHM CSc1ccc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737192453 598619898 /nfs/dbraw/zinc/61/98/98/598619898.db2.gz YRNPQIDQFUZLHM-GOSISDBHSA-N -1 3 395.488 3.301 20 0 GGADHM Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826329029 607361026 /nfs/dbraw/zinc/36/10/26/607361026.db2.gz NPYDHMGTELEURZ-UHFFFAOYSA-N -1 3 387.399 3.071 20 0 GGADHM Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826329029 607361027 /nfs/dbraw/zinc/36/10/27/607361027.db2.gz NPYDHMGTELEURZ-UHFFFAOYSA-N -1 3 387.399 3.071 20 0 GGADHM O=C(OCc1ccc(Cl)s1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738232126 598621080 /nfs/dbraw/zinc/62/10/80/598621080.db2.gz PLNLBIUKAUUXAR-AWEZNQCLSA-N -1 3 389.868 3.294 20 0 GGADHM CC1(C)CCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736211714 598622528 /nfs/dbraw/zinc/62/25/28/598622528.db2.gz STCQCPAYDOGRIM-UHFFFAOYSA-N -1 3 379.424 3.460 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CC(c2ccccc2)C1 ZINC000736638016 598623375 /nfs/dbraw/zinc/62/33/75/598623375.db2.gz WNWNKOOEFYGRLT-UHFFFAOYSA-N -1 3 378.436 3.333 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1CC(c2ccccc2)C1 ZINC000736638016 598623377 /nfs/dbraw/zinc/62/33/77/598623377.db2.gz WNWNKOOEFYGRLT-UHFFFAOYSA-N -1 3 378.436 3.333 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000736118657 598624375 /nfs/dbraw/zinc/62/43/75/598624375.db2.gz VCLLZJIBVPKSHJ-VIFPVBQESA-N -1 3 392.341 3.490 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000736118657 598624377 /nfs/dbraw/zinc/62/43/77/598624377.db2.gz VCLLZJIBVPKSHJ-VIFPVBQESA-N -1 3 392.341 3.490 20 0 GGADHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738047737 598624874 /nfs/dbraw/zinc/62/48/74/598624874.db2.gz ADUOUOAIZLCWLB-RDTXWAMCSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738047737 598624875 /nfs/dbraw/zinc/62/48/75/598624875.db2.gz ADUOUOAIZLCWLB-RDTXWAMCSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000738166667 598627158 /nfs/dbraw/zinc/62/71/58/598627158.db2.gz LMXRNDPTLNZATN-HNNXBMFYSA-N -1 3 386.362 3.180 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000738166667 598627160 /nfs/dbraw/zinc/62/71/60/598627160.db2.gz LMXRNDPTLNZATN-HNNXBMFYSA-N -1 3 386.362 3.180 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ncoc1C(C)C ZINC000736628617 598627185 /nfs/dbraw/zinc/62/71/85/598627185.db2.gz RLRVBVKDURNQAI-UHFFFAOYSA-N -1 3 377.788 3.249 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ncoc1C(C)C ZINC000736628617 598627186 /nfs/dbraw/zinc/62/71/86/598627186.db2.gz RLRVBVKDURNQAI-UHFFFAOYSA-N -1 3 377.788 3.249 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735927850 598627355 /nfs/dbraw/zinc/62/73/55/598627355.db2.gz DFQZKIYBOPUCIS-UHFFFAOYSA-N -1 3 384.415 3.330 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735927850 598627356 /nfs/dbraw/zinc/62/73/56/598627356.db2.gz DFQZKIYBOPUCIS-UHFFFAOYSA-N -1 3 384.415 3.330 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000735636346 598628282 /nfs/dbraw/zinc/62/82/82/598628282.db2.gz VKSNFLAKJDNEBZ-HNNXBMFYSA-N -1 3 387.488 3.147 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000735636346 598628284 /nfs/dbraw/zinc/62/82/84/598628284.db2.gz VKSNFLAKJDNEBZ-HNNXBMFYSA-N -1 3 387.488 3.147 20 0 GGADHM COc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000737046461 598630359 /nfs/dbraw/zinc/63/03/59/598630359.db2.gz DCSVFMKASSQGDK-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000737046461 598630360 /nfs/dbraw/zinc/63/03/60/598630360.db2.gz DCSVFMKASSQGDK-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738146808 598634899 /nfs/dbraw/zinc/63/48/99/598634899.db2.gz RDVILZBTXYMUHN-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738146808 598634901 /nfs/dbraw/zinc/63/49/01/598634901.db2.gz RDVILZBTXYMUHN-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM CCc1nnc([C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)o1 ZINC000736706095 598640480 /nfs/dbraw/zinc/64/04/80/598640480.db2.gz GXICNRBHNZUOLZ-SSDOTTSWSA-N -1 3 385.375 3.388 20 0 GGADHM CC(=O)c1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735495166 598644112 /nfs/dbraw/zinc/64/41/12/598644112.db2.gz BYCWWCDNTWCIKU-UHFFFAOYSA-N -1 3 380.404 3.224 20 0 GGADHM CC(=O)c1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735495166 598644113 /nfs/dbraw/zinc/64/41/13/598644113.db2.gz BYCWWCDNTWCIKU-UHFFFAOYSA-N -1 3 380.404 3.224 20 0 GGADHM Cc1ccc(C=Cc2nc(SCc3ccc(F)cc3-c3nn[n-]n3)n[nH]2)o1 ZINC000737331137 598644413 /nfs/dbraw/zinc/64/44/13/598644413.db2.gz URGULQUOSAULKZ-SREVYHEPSA-N -1 3 383.412 3.488 20 0 GGADHM Cc1csc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000737452863 598645226 /nfs/dbraw/zinc/64/52/26/598645226.db2.gz ORSZFDSCTSYPSV-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM Cc1csc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000737452863 598645227 /nfs/dbraw/zinc/64/52/27/598645227.db2.gz ORSZFDSCTSYPSV-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM COc1cccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737132904 598645244 /nfs/dbraw/zinc/64/52/44/598645244.db2.gz UZRVOHJDWXXOTL-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM COc1cccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737132904 598645245 /nfs/dbraw/zinc/64/52/45/598645245.db2.gz UZRVOHJDWXXOTL-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736273053 598646381 /nfs/dbraw/zinc/64/63/81/598646381.db2.gz QULPITOCCFZABA-GUYCJALGSA-N -1 3 378.436 3.363 20 0 GGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736273053 598646382 /nfs/dbraw/zinc/64/63/82/598646382.db2.gz QULPITOCCFZABA-GUYCJALGSA-N -1 3 378.436 3.363 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737141761 598646561 /nfs/dbraw/zinc/64/65/61/598646561.db2.gz KTQRSLBRMQRINQ-OAHLLOKOSA-N -1 3 395.463 3.302 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737141761 598646563 /nfs/dbraw/zinc/64/65/63/598646563.db2.gz KTQRSLBRMQRINQ-OAHLLOKOSA-N -1 3 395.463 3.302 20 0 GGADHM CC(C)c1nnc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000735953736 598648069 /nfs/dbraw/zinc/64/80/69/598648069.db2.gz ZKPNPEFIISDJBO-UHFFFAOYSA-N -1 3 387.469 3.029 20 0 GGADHM CC(C)c1nnc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000735953736 598648071 /nfs/dbraw/zinc/64/80/71/598648071.db2.gz ZKPNPEFIISDJBO-UHFFFAOYSA-N -1 3 387.469 3.029 20 0 GGADHM Cc1cccc(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737393430 598648484 /nfs/dbraw/zinc/64/84/84/598648484.db2.gz IXTQLTHUHAMYER-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cccc(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737393430 598648485 /nfs/dbraw/zinc/64/84/85/598648485.db2.gz IXTQLTHUHAMYER-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000737832271 598648490 /nfs/dbraw/zinc/64/84/90/598648490.db2.gz IEQJKASSAFUFMK-AWEZNQCLSA-N -1 3 397.401 3.217 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000737832271 598648492 /nfs/dbraw/zinc/64/84/92/598648492.db2.gz IEQJKASSAFUFMK-AWEZNQCLSA-N -1 3 397.401 3.217 20 0 GGADHM Cc1cc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737264644 598648526 /nfs/dbraw/zinc/64/85/26/598648526.db2.gz OVBZJWCVLWWGKF-UHFFFAOYSA-N -1 3 383.427 3.180 20 0 GGADHM Cc1cc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737264644 598648528 /nfs/dbraw/zinc/64/85/28/598648528.db2.gz OVBZJWCVLWWGKF-UHFFFAOYSA-N -1 3 383.427 3.180 20 0 GGADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736363047 598648600 /nfs/dbraw/zinc/64/86/00/598648600.db2.gz MHCROJJILMSZMJ-KRWDZBQOSA-N -1 3 383.477 3.235 20 0 GGADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736363047 598648601 /nfs/dbraw/zinc/64/86/01/598648601.db2.gz MHCROJJILMSZMJ-KRWDZBQOSA-N -1 3 383.477 3.235 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1nc(-c2ccccn2)cs1 ZINC000737947529 598649646 /nfs/dbraw/zinc/64/96/46/598649646.db2.gz LQNOTAZSULNRKA-UHFFFAOYSA-N -1 3 395.473 3.116 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nc(-c2ccccn2)cs1 ZINC000737947529 598649647 /nfs/dbraw/zinc/64/96/47/598649647.db2.gz LQNOTAZSULNRKA-UHFFFAOYSA-N -1 3 395.473 3.116 20 0 GGADHM CCOc1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736643525 598650572 /nfs/dbraw/zinc/65/05/72/598650572.db2.gz LHYGKGGBBAXYHF-UHFFFAOYSA-N -1 3 395.463 3.131 20 0 GGADHM CCOc1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736643525 598650573 /nfs/dbraw/zinc/65/05/73/598650573.db2.gz LHYGKGGBBAXYHF-UHFFFAOYSA-N -1 3 395.463 3.131 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1ccc(C(F)(F)F)cc1 ZINC000737941264 598650979 /nfs/dbraw/zinc/65/09/79/598650979.db2.gz KBMSMOGHJBSDPQ-UHFFFAOYSA-N -1 3 393.394 3.294 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1ccc(C(F)(F)F)cc1 ZINC000737941264 598650981 /nfs/dbraw/zinc/65/09/81/598650981.db2.gz KBMSMOGHJBSDPQ-UHFFFAOYSA-N -1 3 393.394 3.294 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1OC(F)(F)F ZINC000737947475 598651268 /nfs/dbraw/zinc/65/12/68/598651268.db2.gz LLGJHWHYGIIAHO-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1OC(F)(F)F ZINC000737947475 598651269 /nfs/dbraw/zinc/65/12/69/598651269.db2.gz LLGJHWHYGIIAHO-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)n1ccccc1=NC1CCCCC1 ZINC000737947746 598651514 /nfs/dbraw/zinc/65/15/14/598651514.db2.gz OTJIASRYCDADRA-UHFFFAOYSA-N -1 3 394.504 3.334 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)n1ccccc1=NC1CCCCC1 ZINC000737947746 598651516 /nfs/dbraw/zinc/65/15/16/598651516.db2.gz OTJIASRYCDADRA-UHFFFAOYSA-N -1 3 394.504 3.334 20 0 GGADHM COc1ccccc1N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737151710 598653181 /nfs/dbraw/zinc/65/31/81/598653181.db2.gz FXIXLMFTBGPKAP-UHFFFAOYSA-N -1 3 381.436 3.087 20 0 GGADHM COc1ccccc1N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737151710 598653183 /nfs/dbraw/zinc/65/31/83/598653183.db2.gz FXIXLMFTBGPKAP-UHFFFAOYSA-N -1 3 381.436 3.087 20 0 GGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC ZINC000736365251 598653309 /nfs/dbraw/zinc/65/33/09/598653309.db2.gz WBBOEVMFTYBOIH-MRXNPFEDSA-N -1 3 383.477 3.235 20 0 GGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC ZINC000736365251 598653310 /nfs/dbraw/zinc/65/33/10/598653310.db2.gz WBBOEVMFTYBOIH-MRXNPFEDSA-N -1 3 383.477 3.235 20 0 GGADHM CC(C)CCOC1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735819215 598653322 /nfs/dbraw/zinc/65/33/22/598653322.db2.gz GFDTZUBLZAFXDD-UHFFFAOYSA-N -1 3 389.525 3.013 20 0 GGADHM CC(C)CCOC1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735819215 598653324 /nfs/dbraw/zinc/65/33/24/598653324.db2.gz GFDTZUBLZAFXDD-UHFFFAOYSA-N -1 3 389.525 3.013 20 0 GGADHM COc1ncccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737162881 598654031 /nfs/dbraw/zinc/65/40/31/598654031.db2.gz SRNMEWKKYXNLJV-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)C(F)(F)F ZINC000737941420 598654307 /nfs/dbraw/zinc/65/43/07/598654307.db2.gz ADWIYOFFSRPOPH-OAHLLOKOSA-N -1 3 393.394 3.379 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)C(F)(F)F ZINC000737941420 598654309 /nfs/dbraw/zinc/65/43/09/598654309.db2.gz ADWIYOFFSRPOPH-OAHLLOKOSA-N -1 3 393.394 3.379 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1nc(C(F)(F)F)cs1 ZINC000737947642 598654659 /nfs/dbraw/zinc/65/46/59/598654659.db2.gz NEZOIVHMVLNHBV-UHFFFAOYSA-N -1 3 386.384 3.073 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nc(C(F)(F)F)cs1 ZINC000737947642 598654661 /nfs/dbraw/zinc/65/46/61/598654661.db2.gz NEZOIVHMVLNHBV-UHFFFAOYSA-N -1 3 386.384 3.073 20 0 GGADHM COc1cc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000737046023 598654996 /nfs/dbraw/zinc/65/49/96/598654996.db2.gz YOHAYPMBEQSWNL-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM COc1cc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000737046023 598654999 /nfs/dbraw/zinc/65/49/99/598654999.db2.gz YOHAYPMBEQSWNL-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCc2c1cccc2Cl ZINC000737941591 598655852 /nfs/dbraw/zinc/65/58/52/598655852.db2.gz NWMWUAZALYDNOE-INIZCTEOSA-N -1 3 385.880 3.416 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2c1cccc2Cl ZINC000737941591 598655853 /nfs/dbraw/zinc/65/58/53/598655853.db2.gz NWMWUAZALYDNOE-INIZCTEOSA-N -1 3 385.880 3.416 20 0 GGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741576 598657641 /nfs/dbraw/zinc/65/76/41/598657641.db2.gz FWEXFAGYBWOVRK-UHFFFAOYSA-N -1 3 380.358 3.212 20 0 GGADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741576 598657644 /nfs/dbraw/zinc/65/76/44/598657644.db2.gz FWEXFAGYBWOVRK-UHFFFAOYSA-N -1 3 380.358 3.212 20 0 GGADHM C[C@]1(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCCc2ccccc21 ZINC000736224620 598658265 /nfs/dbraw/zinc/65/82/65/598658265.db2.gz SWTIEGOTEAWEMT-FQEVSTJZSA-N -1 3 379.489 3.327 20 0 GGADHM C[C@]1(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCCc2ccccc21 ZINC000736224620 598658267 /nfs/dbraw/zinc/65/82/67/598658267.db2.gz SWTIEGOTEAWEMT-FQEVSTJZSA-N -1 3 379.489 3.327 20 0 GGADHM COc1ccc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000737120696 598658613 /nfs/dbraw/zinc/65/86/13/598658613.db2.gz RZIYPRYFJXQJFL-UHFFFAOYSA-N -1 3 392.444 3.154 20 0 GGADHM COc1ccc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000737120696 598658615 /nfs/dbraw/zinc/65/86/15/598658615.db2.gz RZIYPRYFJXQJFL-UHFFFAOYSA-N -1 3 392.444 3.154 20 0 GGADHM O=C(NC1CCSCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738033933 598658934 /nfs/dbraw/zinc/65/89/34/598658934.db2.gz COYLZMYAFKTLEP-UHFFFAOYSA-N -1 3 381.461 3.284 20 0 GGADHM O=C(NC1CCSCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738033933 598658936 /nfs/dbraw/zinc/65/89/36/598658936.db2.gz COYLZMYAFKTLEP-UHFFFAOYSA-N -1 3 381.461 3.284 20 0 GGADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000737289007 598659254 /nfs/dbraw/zinc/65/92/54/598659254.db2.gz RQXAXHRCRCIHBU-UHFFFAOYSA-N -1 3 391.460 3.183 20 0 GGADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000737289007 598659255 /nfs/dbraw/zinc/65/92/55/598659255.db2.gz RQXAXHRCRCIHBU-UHFFFAOYSA-N -1 3 391.460 3.183 20 0 GGADHM CCCCCCOc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736445499 598659483 /nfs/dbraw/zinc/65/94/83/598659483.db2.gz CBJAPZLIKGYJDR-UHFFFAOYSA-N -1 3 380.452 3.402 20 0 GGADHM CCCCCCOc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736445499 598659484 /nfs/dbraw/zinc/65/94/84/598659484.db2.gz CBJAPZLIKGYJDR-UHFFFAOYSA-N -1 3 380.452 3.402 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736103750 598659818 /nfs/dbraw/zinc/65/98/18/598659818.db2.gz CYVBBOCGOLPAQC-AWEZNQCLSA-N -1 3 381.505 3.441 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736103750 598659819 /nfs/dbraw/zinc/65/98/19/598659819.db2.gz CYVBBOCGOLPAQC-AWEZNQCLSA-N -1 3 381.505 3.441 20 0 GGADHM Cc1ncc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)cn1 ZINC000737502506 598660855 /nfs/dbraw/zinc/66/08/55/598660855.db2.gz WNXGOGXOHKFJOM-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1ncc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)cn1 ZINC000737502506 598660856 /nfs/dbraw/zinc/66/08/56/598660856.db2.gz WNXGOGXOHKFJOM-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000738151608 598661146 /nfs/dbraw/zinc/66/11/46/598661146.db2.gz MUVPYHLNTGYYLY-FQEVSTJZSA-N -1 3 397.442 3.004 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000738151608 598661148 /nfs/dbraw/zinc/66/11/48/598661148.db2.gz MUVPYHLNTGYYLY-FQEVSTJZSA-N -1 3 397.442 3.004 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OCc2cccnc2)cc1 ZINC000737803873 598662826 /nfs/dbraw/zinc/66/28/26/598662826.db2.gz WBLYXZGFQRIYMA-GHXNOFRVSA-N -1 3 398.426 3.493 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OCc2cccnc2)cc1 ZINC000737803873 598662828 /nfs/dbraw/zinc/66/28/28/598662828.db2.gz WBLYXZGFQRIYMA-GHXNOFRVSA-N -1 3 398.426 3.493 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000735830122 598666430 /nfs/dbraw/zinc/66/64/30/598666430.db2.gz DWJMLSOUBOITJK-UHFFFAOYSA-N -1 3 375.436 3.178 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000735830122 598666432 /nfs/dbraw/zinc/66/64/32/598666432.db2.gz DWJMLSOUBOITJK-UHFFFAOYSA-N -1 3 375.436 3.178 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736184307 598668870 /nfs/dbraw/zinc/66/88/70/598668870.db2.gz YHDMXRGXIQTRQH-DZGCQCFKSA-N -1 3 397.866 3.304 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736184307 598668872 /nfs/dbraw/zinc/66/88/72/598668872.db2.gz YHDMXRGXIQTRQH-DZGCQCFKSA-N -1 3 397.866 3.304 20 0 GGADHM Cc1[nH]nc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1C ZINC000737454006 598669216 /nfs/dbraw/zinc/66/92/16/598669216.db2.gz UTEAKEURCDEUQR-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737487834 598671632 /nfs/dbraw/zinc/67/16/32/598671632.db2.gz KAOMEJIARJKSRY-BLIJAFNYSA-N -1 3 380.477 3.181 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737487834 598671634 /nfs/dbraw/zinc/67/16/34/598671634.db2.gz KAOMEJIARJKSRY-BLIJAFNYSA-N -1 3 380.477 3.181 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735624825 598673312 /nfs/dbraw/zinc/67/33/12/598673312.db2.gz BENOYBOLFJUHRP-LBPRGKRZSA-N -1 3 378.864 3.332 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735624825 598673314 /nfs/dbraw/zinc/67/33/14/598673314.db2.gz BENOYBOLFJUHRP-LBPRGKRZSA-N -1 3 378.864 3.332 20 0 GGADHM Cc1cc(N2CCC[C@H]2c2cnn(C)c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270237 598674750 /nfs/dbraw/zinc/67/47/50/598674750.db2.gz CMQNCBHAFYEMPN-INIZCTEOSA-N -1 3 399.462 3.051 20 0 GGADHM Cc1cc(N2CCC[C@H]2c2cnn(C)c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270237 598674751 /nfs/dbraw/zinc/67/47/51/598674751.db2.gz CMQNCBHAFYEMPN-INIZCTEOSA-N -1 3 399.462 3.051 20 0 GGADHM CCCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736481060 598674913 /nfs/dbraw/zinc/67/49/13/598674913.db2.gz RXISNYCCBBDMHQ-UHFFFAOYSA-N -1 3 395.847 3.265 20 0 GGADHM Cc1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737312586 598675879 /nfs/dbraw/zinc/67/58/79/598675879.db2.gz LDPZAMJGIACVQK-UHFFFAOYSA-N -1 3 390.369 3.036 20 0 GGADHM Cc1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737312586 598675881 /nfs/dbraw/zinc/67/58/81/598675881.db2.gz LDPZAMJGIACVQK-UHFFFAOYSA-N -1 3 390.369 3.036 20 0 GGADHM Fc1cc(Br)ccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737643138 598680655 /nfs/dbraw/zinc/68/06/55/598680655.db2.gz BSRRTPUUHOEFCY-UHFFFAOYSA-N -1 3 383.612 3.429 20 0 GGADHM Fc1cc(Br)ccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737643138 598680656 /nfs/dbraw/zinc/68/06/56/598680656.db2.gz BSRRTPUUHOEFCY-UHFFFAOYSA-N -1 3 383.612 3.429 20 0 GGADHM Cc1ccc(CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C(C)C)s1 ZINC000822237041 607364460 /nfs/dbraw/zinc/36/44/60/607364460.db2.gz BOKMBYKENZEZRP-UHFFFAOYSA-N -1 3 388.497 3.296 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cccc(COC2CCOCC2)c1 ZINC000737643745 598682009 /nfs/dbraw/zinc/68/20/09/598682009.db2.gz FKZNRWHRUIHPRE-UHFFFAOYSA-N -1 3 383.427 3.314 20 0 GGADHM CC(C)CN(Cc1nccn1CC(F)(F)F)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735831766 598683070 /nfs/dbraw/zinc/68/30/70/598683070.db2.gz VCULYANCMNELLG-UHFFFAOYSA-N -1 3 393.417 3.284 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Br)ccc1F ZINC000737803896 598685094 /nfs/dbraw/zinc/68/50/94/598685094.db2.gz WLZKWOQPMPVUJJ-YVMONPNESA-N -1 3 388.200 3.420 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(Br)ccc1F ZINC000737803896 598685096 /nfs/dbraw/zinc/68/50/96/598685096.db2.gz WLZKWOQPMPVUJJ-YVMONPNESA-N -1 3 388.200 3.420 20 0 GGADHM CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735798020 598686503 /nfs/dbraw/zinc/68/65/03/598686503.db2.gz BPRVCXBXDZEPTO-QGZVFWFLSA-N -1 3 389.456 3.072 20 0 GGADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000736190490 598695834 /nfs/dbraw/zinc/69/58/34/598695834.db2.gz SKYMKKMXIVXSDE-MQIPJXDCSA-N -1 3 377.489 3.322 20 0 GGADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000736190490 598695835 /nfs/dbraw/zinc/69/58/35/598695835.db2.gz SKYMKKMXIVXSDE-MQIPJXDCSA-N -1 3 377.489 3.322 20 0 GGADHM c1sc(-c2ccc3c(c2)OCO3)nc1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000738412774 598698578 /nfs/dbraw/zinc/69/85/78/598698578.db2.gz IAAQRJREFBNFCU-UHFFFAOYSA-N -1 3 392.444 3.009 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111966 598698733 /nfs/dbraw/zinc/69/87/33/598698733.db2.gz HKRWIVWISKLAHU-MGPUTAFESA-N -1 3 399.458 3.412 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111966 598698735 /nfs/dbraw/zinc/69/87/35/598698735.db2.gz HKRWIVWISKLAHU-MGPUTAFESA-N -1 3 399.458 3.412 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737489820 598702326 /nfs/dbraw/zinc/70/23/26/598702326.db2.gz LNXSAVHHKKQAQJ-UHFFFAOYSA-N -1 3 391.406 3.457 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737489820 598702328 /nfs/dbraw/zinc/70/23/28/598702328.db2.gz LNXSAVHHKKQAQJ-UHFFFAOYSA-N -1 3 391.406 3.457 20 0 GGADHM C/C=C/c1ccc(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000736305367 598702875 /nfs/dbraw/zinc/70/28/75/598702875.db2.gz UTZHDEQXXJUYRW-ONEGZZNKSA-N -1 3 398.394 3.170 20 0 GGADHM C/C=C/c1ccc(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000736305367 598702876 /nfs/dbraw/zinc/70/28/76/598702876.db2.gz UTZHDEQXXJUYRW-ONEGZZNKSA-N -1 3 398.394 3.170 20 0 GGADHM CCc1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)no1 ZINC000736704533 598703900 /nfs/dbraw/zinc/70/39/00/598703900.db2.gz QPTKNZMFBNMJOB-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM CCc1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)no1 ZINC000736704533 598703901 /nfs/dbraw/zinc/70/39/01/598703901.db2.gz QPTKNZMFBNMJOB-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1Br ZINC000738235455 598704227 /nfs/dbraw/zinc/70/42/27/598704227.db2.gz MLZLFDDBZDWIJN-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1Br ZINC000738235455 598704229 /nfs/dbraw/zinc/70/42/29/598704229.db2.gz MLZLFDDBZDWIJN-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCCCCC2)nc1 ZINC000738236419 598707149 /nfs/dbraw/zinc/70/71/49/598707149.db2.gz YPNSMQIZJNRZHJ-UHFFFAOYSA-N -1 3 396.426 3.138 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCCCCC2)nc1 ZINC000738236419 598707150 /nfs/dbraw/zinc/70/71/50/598707150.db2.gz YPNSMQIZJNRZHJ-UHFFFAOYSA-N -1 3 396.426 3.138 20 0 GGADHM O=C(CCOc1ccccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737850339 598708663 /nfs/dbraw/zinc/70/86/63/598708663.db2.gz SVVNFRAPCZFBDI-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM O=C(CCOc1ccccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737850339 598708665 /nfs/dbraw/zinc/70/86/65/598708665.db2.gz SVVNFRAPCZFBDI-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM O=C(Cn1ccc2ccc(Cl)cc21)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737986274 598710157 /nfs/dbraw/zinc/71/01/57/598710157.db2.gz GSPYREGHJRBLJU-UHFFFAOYSA-N -1 3 385.786 3.357 20 0 GGADHM O=C(Cn1ccc2ccc(Cl)cc21)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737986274 598710158 /nfs/dbraw/zinc/71/01/58/598710158.db2.gz GSPYREGHJRBLJU-UHFFFAOYSA-N -1 3 385.786 3.357 20 0 GGADHM COc1ccc(C2(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)CCC2)cc1 ZINC000737078170 598710911 /nfs/dbraw/zinc/71/09/11/598710911.db2.gz VFOZNULILKDOBF-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1ccc(C2(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)CCC2)cc1 ZINC000737078170 598710913 /nfs/dbraw/zinc/71/09/13/598710913.db2.gz VFOZNULILKDOBF-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM Cn1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(C2CCCCC2)n1 ZINC000737606963 598710978 /nfs/dbraw/zinc/71/09/78/598710978.db2.gz UUNAVNGPWXWXBF-UHFFFAOYSA-N -1 3 384.415 3.144 20 0 GGADHM Cn1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C2CCCCC2)n1 ZINC000737606963 598710980 /nfs/dbraw/zinc/71/09/80/598710980.db2.gz UUNAVNGPWXWXBF-UHFFFAOYSA-N -1 3 384.415 3.144 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737966870 598711438 /nfs/dbraw/zinc/71/14/38/598711438.db2.gz JRNVXUTZTZVGAI-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737966870 598711439 /nfs/dbraw/zinc/71/14/39/598711439.db2.gz JRNVXUTZTZVGAI-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM CC(C)[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735708654 598711966 /nfs/dbraw/zinc/71/19/66/598711966.db2.gz NBJLVTBDKSQXPR-SFHVURJKSA-N -1 3 393.447 3.178 20 0 GGADHM CC(C)[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735708654 598711967 /nfs/dbraw/zinc/71/19/67/598711967.db2.gz NBJLVTBDKSQXPR-SFHVURJKSA-N -1 3 393.447 3.178 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736270302 598713449 /nfs/dbraw/zinc/71/34/49/598713449.db2.gz JORMFEXZDJXALW-XJKSGUPXSA-N -1 3 376.482 3.097 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736270302 598713451 /nfs/dbraw/zinc/71/34/51/598713451.db2.gz JORMFEXZDJXALW-XJKSGUPXSA-N -1 3 376.482 3.097 20 0 GGADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737308793 598715514 /nfs/dbraw/zinc/71/55/14/598715514.db2.gz OSJBQWKZIXJQNP-CQSZACIVSA-N -1 3 396.472 3.390 20 0 GGADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737308793 598715515 /nfs/dbraw/zinc/71/55/15/598715515.db2.gz OSJBQWKZIXJQNP-CQSZACIVSA-N -1 3 396.472 3.390 20 0 GGADHM CN(Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736818655 598716657 /nfs/dbraw/zinc/71/66/57/598716657.db2.gz SUJWTNOOVBGFLS-UHFFFAOYSA-N -1 3 382.374 3.432 20 0 GGADHM CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736861268 598718464 /nfs/dbraw/zinc/71/84/64/598718464.db2.gz ZVTYEUARHSTYET-QGZVFWFLSA-N -1 3 378.436 3.082 20 0 GGADHM CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736861268 598718466 /nfs/dbraw/zinc/71/84/66/598718466.db2.gz ZVTYEUARHSTYET-QGZVFWFLSA-N -1 3 378.436 3.082 20 0 GGADHM c1csc(-c2nc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)co2)c1 ZINC000738448764 598723802 /nfs/dbraw/zinc/72/38/02/598723802.db2.gz PWQOWSMNMJMHEY-UHFFFAOYSA-N -1 3 375.417 3.495 20 0 GGADHM c1csc(-c2nc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)co2)c1 ZINC000738448764 598723803 /nfs/dbraw/zinc/72/38/03/598723803.db2.gz PWQOWSMNMJMHEY-UHFFFAOYSA-N -1 3 375.417 3.495 20 0 GGADHM CC(=CC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735447172 598724091 /nfs/dbraw/zinc/72/40/91/598724091.db2.gz JYRPUXBZXOMMFU-LCYFTJDESA-N -1 3 377.379 3.405 20 0 GGADHM CC(=CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735447172 598724092 /nfs/dbraw/zinc/72/40/92/598724092.db2.gz JYRPUXBZXOMMFU-LCYFTJDESA-N -1 3 377.379 3.405 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000738167292 598726760 /nfs/dbraw/zinc/72/67/60/598726760.db2.gz QPIUFDHYFKDREC-SFHVURJKSA-N -1 3 389.394 3.312 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000738167292 598726761 /nfs/dbraw/zinc/72/67/61/598726761.db2.gz QPIUFDHYFKDREC-SFHVURJKSA-N -1 3 389.394 3.312 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1nc2ccccc2o1 ZINC000737841572 598727166 /nfs/dbraw/zinc/72/71/66/598727166.db2.gz NDLFBWJZQHYVMH-UHFFFAOYSA-N -1 3 393.403 3.300 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1nc2ccccc2o1 ZINC000737841572 598727167 /nfs/dbraw/zinc/72/71/67/598727167.db2.gz NDLFBWJZQHYVMH-UHFFFAOYSA-N -1 3 393.403 3.300 20 0 GGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736298489 598731667 /nfs/dbraw/zinc/73/16/67/598731667.db2.gz QIZJYWHDKSKGST-XOBRGWDASA-N -1 3 388.475 3.474 20 0 GGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736298489 598731670 /nfs/dbraw/zinc/73/16/70/598731670.db2.gz QIZJYWHDKSKGST-XOBRGWDASA-N -1 3 388.475 3.474 20 0 GGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736298481 598731882 /nfs/dbraw/zinc/73/18/82/598731882.db2.gz QIZJYWHDKSKGST-JLTOFOAXSA-N -1 3 388.475 3.474 20 0 GGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736298481 598731883 /nfs/dbraw/zinc/73/18/83/598731883.db2.gz QIZJYWHDKSKGST-JLTOFOAXSA-N -1 3 388.475 3.474 20 0 GGADHM COC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000736966834 598734500 /nfs/dbraw/zinc/73/45/00/598734500.db2.gz CIHDVHBXMAXXNL-GHMZBOCLSA-N -1 3 377.514 3.300 20 0 GGADHM COC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000736966834 598734501 /nfs/dbraw/zinc/73/45/01/598734501.db2.gz CIHDVHBXMAXXNL-GHMZBOCLSA-N -1 3 377.514 3.300 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737356022 598743703 /nfs/dbraw/zinc/74/37/03/598743703.db2.gz NZFFUZZGOOQOKN-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737356022 598743705 /nfs/dbraw/zinc/74/37/05/598743705.db2.gz NZFFUZZGOOQOKN-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736263013 598745304 /nfs/dbraw/zinc/74/53/04/598745304.db2.gz PJRMAZRQJFLNES-DOTOQJQBSA-N -1 3 383.496 3.453 20 0 GGADHM CN(C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1)C(=O)OC(C)(C)C ZINC000736795596 598746285 /nfs/dbraw/zinc/74/62/85/598746285.db2.gz WIMDYABAOGGKNN-CYBMUJFWSA-N -1 3 390.463 3.089 20 0 GGADHM O=C(CCCc1ccccc1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737838117 598746361 /nfs/dbraw/zinc/74/63/61/598746361.db2.gz ZMPVJIXUPIKWDN-UHFFFAOYSA-N -1 3 391.475 3.259 20 0 GGADHM Cc1cccc(OC[C@H](O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737401024 598746476 /nfs/dbraw/zinc/74/64/76/598746476.db2.gz IZJKJGWYSRIPDZ-CYBMUJFWSA-N -1 3 393.369 3.046 20 0 GGADHM Cc1cccc(OC[C@H](O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737401024 598746478 /nfs/dbraw/zinc/74/64/78/598746478.db2.gz IZJKJGWYSRIPDZ-CYBMUJFWSA-N -1 3 393.369 3.046 20 0 GGADHM CC[C@H](C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000736315223 598746789 /nfs/dbraw/zinc/74/67/89/598746789.db2.gz XGSQATFGCIJDSZ-FQEVSTJZSA-N -1 3 391.475 3.430 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2F)n1 ZINC000737254900 598752136 /nfs/dbraw/zinc/75/21/36/598752136.db2.gz BGOBCISJJFXORE-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2F)n1 ZINC000737254900 598752137 /nfs/dbraw/zinc/75/21/37/598752137.db2.gz BGOBCISJJFXORE-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM FC(F)(F)c1cccnc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737639236 598756248 /nfs/dbraw/zinc/75/62/48/598756248.db2.gz PLBWUZGJIMQICJ-UHFFFAOYSA-N -1 3 390.369 3.328 20 0 GGADHM FC(F)(F)c1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000737635647 598756351 /nfs/dbraw/zinc/75/63/51/598756351.db2.gz KTNZAVSNJAEESF-UHFFFAOYSA-N -1 3 390.369 3.328 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737423028 598764931 /nfs/dbraw/zinc/76/49/31/598764931.db2.gz QJWRJTYYNADGLM-LJQANCHMSA-N -1 3 379.464 3.458 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737423028 598764933 /nfs/dbraw/zinc/76/49/33/598764933.db2.gz QJWRJTYYNADGLM-LJQANCHMSA-N -1 3 379.464 3.458 20 0 GGADHM Cc1ccccc1CN(Cc1ccccn1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737427881 598766154 /nfs/dbraw/zinc/76/61/54/598766154.db2.gz IRJMLFYZVHDCFH-UHFFFAOYSA-N -1 3 398.470 3.342 20 0 GGADHM Cc1ccccc1CN(Cc1ccccn1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737427881 598766156 /nfs/dbraw/zinc/76/61/56/598766156.db2.gz IRJMLFYZVHDCFH-UHFFFAOYSA-N -1 3 398.470 3.342 20 0 GGADHM c1ccc2oc(CN3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000738441443 598767579 /nfs/dbraw/zinc/76/75/79/598767579.db2.gz JXQVLTDCDYTKMC-UHFFFAOYSA-N -1 3 376.420 3.051 20 0 GGADHM Cc1cc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)ccn1 ZINC000737275430 598768045 /nfs/dbraw/zinc/76/80/45/598768045.db2.gz VAGBXXQVYWIPON-UHFFFAOYSA-N -1 3 388.456 3.396 20 0 GGADHM Cc1cc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)ccn1 ZINC000737275430 598768049 /nfs/dbraw/zinc/76/80/49/598768049.db2.gz VAGBXXQVYWIPON-UHFFFAOYSA-N -1 3 388.456 3.396 20 0 GGADHM CC(C)Oc1ncccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735914408 598769897 /nfs/dbraw/zinc/76/98/97/598769897.db2.gz SALZBCFTIAVWNO-UHFFFAOYSA-N -1 3 397.389 3.487 20 0 GGADHM CC(C)Oc1ncccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735914408 598769899 /nfs/dbraw/zinc/76/98/99/598769899.db2.gz SALZBCFTIAVWNO-UHFFFAOYSA-N -1 3 397.389 3.487 20 0 GGADHM COCc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000737016589 598770847 /nfs/dbraw/zinc/77/08/47/598770847.db2.gz DPAJNCPBYBQRGY-UHFFFAOYSA-N -1 3 382.374 3.452 20 0 GGADHM COCc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000737016589 598770848 /nfs/dbraw/zinc/77/08/48/598770848.db2.gz DPAJNCPBYBQRGY-UHFFFAOYSA-N -1 3 382.374 3.452 20 0 GGADHM Cc1ccccc1OCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737431972 598772413 /nfs/dbraw/zinc/77/24/13/598772413.db2.gz OPUPMBQAVYLLFQ-UHFFFAOYSA-N -1 3 382.374 3.492 20 0 GGADHM Cc1ccccc1OCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737431972 598772415 /nfs/dbraw/zinc/77/24/15/598772415.db2.gz OPUPMBQAVYLLFQ-UHFFFAOYSA-N -1 3 382.374 3.492 20 0 GGADHM COCC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000736971582 598773632 /nfs/dbraw/zinc/77/36/32/598773632.db2.gz IRWYHKRKZWSNPD-UHFFFAOYSA-N -1 3 376.823 3.070 20 0 GGADHM COCC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000736971582 598773633 /nfs/dbraw/zinc/77/36/33/598773633.db2.gz IRWYHKRKZWSNPD-UHFFFAOYSA-N -1 3 376.823 3.070 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccc(Br)cc21 ZINC000738152696 598778869 /nfs/dbraw/zinc/77/88/69/598778869.db2.gz XXYCKMMZVJVDMC-UHFFFAOYSA-N -1 3 385.225 3.224 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccc(Br)cc21 ZINC000738152696 598778870 /nfs/dbraw/zinc/77/88/70/598778870.db2.gz XXYCKMMZVJVDMC-UHFFFAOYSA-N -1 3 385.225 3.224 20 0 GGADHM CC(C)[C@@](C)(O)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735691260 598782284 /nfs/dbraw/zinc/78/22/84/598782284.db2.gz DFPKNYWTMOPHKX-FQEVSTJZSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)[C@@](C)(O)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735691260 598782286 /nfs/dbraw/zinc/78/22/86/598782286.db2.gz DFPKNYWTMOPHKX-FQEVSTJZSA-N -1 3 396.451 3.188 20 0 GGADHM C[C@@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736275317 598785251 /nfs/dbraw/zinc/78/52/51/598785251.db2.gz BUQGXCAQHAYBGU-OAHLLOKOSA-N -1 3 391.479 3.307 20 0 GGADHM C[C@@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736275317 598785252 /nfs/dbraw/zinc/78/52/52/598785252.db2.gz BUQGXCAQHAYBGU-OAHLLOKOSA-N -1 3 391.479 3.307 20 0 GGADHM Cc1cccc(NC(=S)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737399862 598789035 /nfs/dbraw/zinc/78/90/35/598789035.db2.gz NJYCWFIYRDSTFQ-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM Cc1cccc(NC(=S)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737399862 598789036 /nfs/dbraw/zinc/78/90/36/598789036.db2.gz NJYCWFIYRDSTFQ-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)cc2n1 ZINC000737374620 598791653 /nfs/dbraw/zinc/79/16/53/598791653.db2.gz PUOOWOMANQXZOL-UHFFFAOYSA-N -1 3 386.318 3.170 20 0 GGADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)cc2n1 ZINC000737374620 598791655 /nfs/dbraw/zinc/79/16/55/598791655.db2.gz PUOOWOMANQXZOL-UHFFFAOYSA-N -1 3 386.318 3.170 20 0 GGADHM Cc1nc(SCC(=O)NC/C=C\c2ccccc2)c(-c2nnn[n-]2)c(C)c1C ZINC000737481898 598792051 /nfs/dbraw/zinc/79/20/51/598792051.db2.gz CJAHUFHIDXYWNP-YFHOEESVSA-N -1 3 394.504 3.109 20 0 GGADHM Cc1nc(SCC(=O)NC/C=C\c2ccccc2)c(-c2nn[n-]n2)c(C)c1C ZINC000737481898 598792053 /nfs/dbraw/zinc/79/20/53/598792053.db2.gz CJAHUFHIDXYWNP-YFHOEESVSA-N -1 3 394.504 3.109 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC/C=C\c1ccccc1 ZINC000737832713 598792261 /nfs/dbraw/zinc/79/22/61/598792261.db2.gz KKLUWWSEOZTPNK-YFHOEESVSA-N -1 3 377.448 3.245 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC/C=C\c1ccccc1 ZINC000737832713 598792263 /nfs/dbraw/zinc/79/22/63/598792263.db2.gz KKLUWWSEOZTPNK-YFHOEESVSA-N -1 3 377.448 3.245 20 0 GGADHM O=C(c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1)N1CCCC1 ZINC000738259344 598792459 /nfs/dbraw/zinc/79/24/59/598792459.db2.gz ZEUDKAPCCYILBW-UHFFFAOYSA-N -1 3 382.855 3.368 20 0 GGADHM O=C(c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC000738259344 598792461 /nfs/dbraw/zinc/79/24/61/598792461.db2.gz ZEUDKAPCCYILBW-UHFFFAOYSA-N -1 3 382.855 3.368 20 0 GGADHM Clc1ccc(NC[C@H](c2ccccc2)N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737573508 598793523 /nfs/dbraw/zinc/79/35/23/598793523.db2.gz IUDGLDWVEZDFTG-GOSISDBHSA-N -1 3 384.871 3.006 20 0 GGADHM Clc1ccc(NC[C@H](c2ccccc2)N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000737573508 598793524 /nfs/dbraw/zinc/79/35/24/598793524.db2.gz IUDGLDWVEZDFTG-GOSISDBHSA-N -1 3 384.871 3.006 20 0 GGADHM FC(F)(F)COc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccn1 ZINC000737625609 598793544 /nfs/dbraw/zinc/79/35/44/598793544.db2.gz CPKHZGXEQYCRJX-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM FC(F)(F)COc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)ccn1 ZINC000737625609 598793545 /nfs/dbraw/zinc/79/35/45/598793545.db2.gz CPKHZGXEQYCRJX-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM CC1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736209603 598794034 /nfs/dbraw/zinc/79/40/34/598794034.db2.gz AVTCMSABLKDIJS-UHFFFAOYSA-N -1 3 381.436 3.301 20 0 GGADHM CC1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736209603 598794035 /nfs/dbraw/zinc/79/40/35/598794035.db2.gz AVTCMSABLKDIJS-UHFFFAOYSA-N -1 3 381.436 3.301 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736448016 598794121 /nfs/dbraw/zinc/79/41/21/598794121.db2.gz XLWVKCMZPHLZMJ-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736448016 598794122 /nfs/dbraw/zinc/79/41/22/598794122.db2.gz XLWVKCMZPHLZMJ-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)C2)nc1 ZINC000737355982 598794681 /nfs/dbraw/zinc/79/46/81/598794681.db2.gz NJQABMUMPVAXEO-ZDUSSCGKSA-N -1 3 397.870 3.079 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)C2)nc1 ZINC000737355982 598794682 /nfs/dbraw/zinc/79/46/82/598794682.db2.gz NJQABMUMPVAXEO-ZDUSSCGKSA-N -1 3 397.870 3.079 20 0 GGADHM O=C1CCCN1Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000738303902 598795459 /nfs/dbraw/zinc/79/54/59/598795459.db2.gz UIQNGFMJZBUHMW-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM O=C1CCCN1Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000738303902 598795460 /nfs/dbraw/zinc/79/54/60/598795460.db2.gz UIQNGFMJZBUHMW-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736174279 598802390 /nfs/dbraw/zinc/80/23/90/598802390.db2.gz MIYQTGFHPZCFRT-WDEREUQCSA-N -1 3 389.818 3.304 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736174279 598802392 /nfs/dbraw/zinc/80/23/92/598802392.db2.gz MIYQTGFHPZCFRT-WDEREUQCSA-N -1 3 389.818 3.304 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737343650 598802876 /nfs/dbraw/zinc/80/28/76/598802876.db2.gz RIBJMLCCDUAKEG-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737343650 598802877 /nfs/dbraw/zinc/80/28/77/598802877.db2.gz RIBJMLCCDUAKEG-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CO[C@H]1CCCC[C@H]1C ZINC000736629088 598803146 /nfs/dbraw/zinc/80/31/46/598803146.db2.gz TWRIJUHDTFQNJJ-RISCZKNCSA-N -1 3 394.859 3.420 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CO[C@H]1CCCC[C@H]1C ZINC000736629088 598803147 /nfs/dbraw/zinc/80/31/47/598803147.db2.gz TWRIJUHDTFQNJJ-RISCZKNCSA-N -1 3 394.859 3.420 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000737289032 598804299 /nfs/dbraw/zinc/80/42/99/598804299.db2.gz NSCVKAIVXNRIQR-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000737289032 598804300 /nfs/dbraw/zinc/80/43/00/598804300.db2.gz NSCVKAIVXNRIQR-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737463059 598805075 /nfs/dbraw/zinc/80/50/75/598805075.db2.gz GHTJXRAWEUMZSQ-UHFFFAOYSA-N -1 3 381.396 3.085 20 0 GGADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737463059 598805076 /nfs/dbraw/zinc/80/50/76/598805076.db2.gz GHTJXRAWEUMZSQ-UHFFFAOYSA-N -1 3 381.396 3.085 20 0 GGADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735652384 598805545 /nfs/dbraw/zinc/80/55/45/598805545.db2.gz ITELCAZYXOIXDL-UHFFFAOYSA-N -1 3 380.452 3.357 20 0 GGADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735652384 598805547 /nfs/dbraw/zinc/80/55/47/598805547.db2.gz ITELCAZYXOIXDL-UHFFFAOYSA-N -1 3 380.452 3.357 20 0 GGADHM COCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736979251 598806205 /nfs/dbraw/zinc/80/62/05/598806205.db2.gz PJEOPIUEMOGSQB-UHFFFAOYSA-N -1 3 385.855 3.480 20 0 GGADHM COCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736979251 598806206 /nfs/dbraw/zinc/80/62/06/598806206.db2.gz PJEOPIUEMOGSQB-UHFFFAOYSA-N -1 3 385.855 3.480 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC(C)(C)C)CC(F)(F)F ZINC000736178601 598807058 /nfs/dbraw/zinc/80/70/58/598807058.db2.gz AYVURLSTMMSBJE-NSHDSACASA-N -1 3 385.390 3.071 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC(C)(C)C)CC(F)(F)F ZINC000736178601 598807059 /nfs/dbraw/zinc/80/70/59/598807059.db2.gz AYVURLSTMMSBJE-NSHDSACASA-N -1 3 385.390 3.071 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737394167 598807998 /nfs/dbraw/zinc/80/79/98/598807998.db2.gz PINILHRJJDBCFD-UHFFFAOYSA-N -1 3 384.443 3.413 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737394167 598807999 /nfs/dbraw/zinc/80/79/99/598807999.db2.gz PINILHRJJDBCFD-UHFFFAOYSA-N -1 3 384.443 3.413 20 0 GGADHM CC(C)Oc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000820173637 607367232 /nfs/dbraw/zinc/36/72/32/607367232.db2.gz KFTPDEGUELTVDW-UHFFFAOYSA-N -1 3 398.448 3.192 20 0 GGADHM CC(C)Oc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000820173637 607367233 /nfs/dbraw/zinc/36/72/33/607367233.db2.gz KFTPDEGUELTVDW-UHFFFAOYSA-N -1 3 398.448 3.192 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000738195071 598808291 /nfs/dbraw/zinc/80/82/91/598808291.db2.gz LTYPTDKVTWHTHX-UHFFFAOYSA-N -1 3 381.399 3.458 20 0 GGADHM O=C(CCc1ccccc1Cl)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737856724 598809278 /nfs/dbraw/zinc/80/92/78/598809278.db2.gz CPKMFIXESSEOLR-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736125125 598810065 /nfs/dbraw/zinc/81/00/65/598810065.db2.gz WAJXOYBJXQQRLN-ZDUSSCGKSA-N -1 3 392.463 3.342 20 0 GGADHM C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736125125 598810067 /nfs/dbraw/zinc/81/00/67/598810067.db2.gz WAJXOYBJXQQRLN-ZDUSSCGKSA-N -1 3 392.463 3.342 20 0 GGADHM CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735876201 598812519 /nfs/dbraw/zinc/81/25/19/598812519.db2.gz WVIZOGBIAWKIOR-UHFFFAOYSA-N -1 3 377.857 3.124 20 0 GGADHM CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735876201 598812520 /nfs/dbraw/zinc/81/25/20/598812520.db2.gz WVIZOGBIAWKIOR-UHFFFAOYSA-N -1 3 377.857 3.124 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(-c2ccccc2F)no1 ZINC000736167373 598813619 /nfs/dbraw/zinc/81/36/19/598813619.db2.gz DSATXOOBQBSZFW-LLVKDONJSA-N -1 3 394.366 3.067 20 0 GGADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000735769083 598815750 /nfs/dbraw/zinc/81/57/50/598815750.db2.gz GCRCYJYZKHFRAS-GFCCVEGCSA-N -1 3 378.452 3.357 20 0 GGADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000735769083 598815752 /nfs/dbraw/zinc/81/57/52/598815752.db2.gz GCRCYJYZKHFRAS-GFCCVEGCSA-N -1 3 378.452 3.357 20 0 GGADHM Cc1csc(S[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737454096 598819227 /nfs/dbraw/zinc/81/92/27/598819227.db2.gz YFMJDAKGCGXXER-MRVPVSSYSA-N -1 3 380.886 3.404 20 0 GGADHM Cc1csc(S[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737454096 598819229 /nfs/dbraw/zinc/81/92/29/598819229.db2.gz YFMJDAKGCGXXER-MRVPVSSYSA-N -1 3 380.886 3.404 20 0 GGADHM Cc1csc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737455165 598821839 /nfs/dbraw/zinc/82/18/39/598821839.db2.gz MUXFENWPFNXCLF-MRXNPFEDSA-N -1 3 382.493 3.318 20 0 GGADHM Cc1csc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737455165 598821840 /nfs/dbraw/zinc/82/18/40/598821840.db2.gz MUXFENWPFNXCLF-MRXNPFEDSA-N -1 3 382.493 3.318 20 0 GGADHM Cc1noc(C)c1CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737540190 598822031 /nfs/dbraw/zinc/82/20/31/598822031.db2.gz UPOKEBMUUDXEDN-UHFFFAOYSA-N -1 3 390.403 3.445 20 0 GGADHM Cc1noc(C)c1CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737540190 598822032 /nfs/dbraw/zinc/82/20/32/598822032.db2.gz UPOKEBMUUDXEDN-UHFFFAOYSA-N -1 3 390.403 3.445 20 0 GGADHM O=C(NCCc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823223817 599295638 /nfs/dbraw/zinc/29/56/38/599295638.db2.gz KMQUOOIWOIAHEF-UHFFFAOYSA-N -1 3 382.371 3.311 20 0 GGADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3c3ncccc3-c3nnn[n-]3)n2)cc1 ZINC000737653454 599296823 /nfs/dbraw/zinc/29/68/23/599296823.db2.gz RSWNXZWMKPIUIH-MRXNPFEDSA-N -1 3 376.399 3.132 20 0 GGADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3c3ncccc3-c3nn[n-]n3)n2)cc1 ZINC000737653454 599296824 /nfs/dbraw/zinc/29/68/24/599296824.db2.gz RSWNXZWMKPIUIH-MRXNPFEDSA-N -1 3 376.399 3.132 20 0 GGADHM c1ccc(CCc2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823779457 599301186 /nfs/dbraw/zinc/30/11/86/599301186.db2.gz DLSWHJZFPOAYKG-UHFFFAOYSA-N -1 3 378.461 3.468 20 0 GGADHM c1ccc(CCc2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823779457 599301188 /nfs/dbraw/zinc/30/11/88/599301188.db2.gz DLSWHJZFPOAYKG-UHFFFAOYSA-N -1 3 378.461 3.468 20 0 GGADHM COC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000736976918 599301399 /nfs/dbraw/zinc/30/13/99/599301399.db2.gz HZNDOHIIVONDGY-HNNXBMFYSA-N -1 3 391.353 3.003 20 0 GGADHM COC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736976918 599301402 /nfs/dbraw/zinc/30/14/02/599301402.db2.gz HZNDOHIIVONDGY-HNNXBMFYSA-N -1 3 391.353 3.003 20 0 GGADHM CCc1ccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000821486795 599301885 /nfs/dbraw/zinc/30/18/85/599301885.db2.gz LYRWBCFIHAPGMV-UHFFFAOYSA-N -1 3 391.884 3.298 20 0 GGADHM C[C@H]1SCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736300979 599303407 /nfs/dbraw/zinc/30/34/07/599303407.db2.gz IRWAXBUWFBKTBE-KUHUBIRLSA-N -1 3 379.489 3.114 20 0 GGADHM C[C@H]1SCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000736300979 599303409 /nfs/dbraw/zinc/30/34/09/599303409.db2.gz IRWAXBUWFBKTBE-KUHUBIRLSA-N -1 3 379.489 3.114 20 0 GGADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737338103 599303569 /nfs/dbraw/zinc/30/35/69/599303569.db2.gz NECBSZPPRUSEPX-UHFFFAOYSA-N -1 3 388.431 3.048 20 0 GGADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737338103 599303571 /nfs/dbraw/zinc/30/35/71/599303571.db2.gz NECBSZPPRUSEPX-UHFFFAOYSA-N -1 3 388.431 3.048 20 0 GGADHM CCCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1OCC ZINC000736489970 599304774 /nfs/dbraw/zinc/30/47/74/599304774.db2.gz GRDDHXUSEVYYOD-UHFFFAOYSA-N -1 3 381.436 3.331 20 0 GGADHM CCCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000736489970 599304776 /nfs/dbraw/zinc/30/47/76/599304776.db2.gz GRDDHXUSEVYYOD-UHFFFAOYSA-N -1 3 381.436 3.331 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000737242570 599305487 /nfs/dbraw/zinc/30/54/87/599305487.db2.gz WYZWJSYJDNVXDO-CYBMUJFWSA-N -1 3 379.251 3.331 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000737242570 599305489 /nfs/dbraw/zinc/30/54/89/599305489.db2.gz WYZWJSYJDNVXDO-CYBMUJFWSA-N -1 3 379.251 3.331 20 0 GGADHM Cc1cc(N2CCS[C@@H](C)[C@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273194 599305663 /nfs/dbraw/zinc/30/56/63/599305663.db2.gz YWYYFTDSKZCCOE-OLZOCXBDSA-N -1 3 379.493 3.306 20 0 GGADHM Cc1cc(N2CCS[C@@H](C)[C@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273194 599305664 /nfs/dbraw/zinc/30/56/64/599305664.db2.gz YWYYFTDSKZCCOE-OLZOCXBDSA-N -1 3 379.493 3.306 20 0 GGADHM CC(C)CO[C@@H](C)c1noc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000820096401 599307813 /nfs/dbraw/zinc/30/78/13/599307813.db2.gz CBEVEOGKRNJZQF-JTQLQIEISA-N -1 3 378.820 3.216 20 0 GGADHM CC(C)CO[C@@H](C)c1noc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820096401 599307814 /nfs/dbraw/zinc/30/78/14/599307814.db2.gz CBEVEOGKRNJZQF-JTQLQIEISA-N -1 3 378.820 3.216 20 0 GGADHM CN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736743108 599308642 /nfs/dbraw/zinc/30/86/42/599308642.db2.gz ZBCNBYZQNRHSNY-UHFFFAOYSA-N -1 3 393.378 3.454 20 0 GGADHM CN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736743108 599308643 /nfs/dbraw/zinc/30/86/43/599308643.db2.gz ZBCNBYZQNRHSNY-UHFFFAOYSA-N -1 3 393.378 3.454 20 0 GGADHM CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505951 599309774 /nfs/dbraw/zinc/30/97/74/599309774.db2.gz VMQJJEPWSPGIHW-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505951 599309777 /nfs/dbraw/zinc/30/97/77/599309777.db2.gz VMQJJEPWSPGIHW-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504493 599311599 /nfs/dbraw/zinc/31/15/99/599311599.db2.gz AYHAVGCPRNMFRQ-UHFFFAOYSA-N -1 3 388.431 3.426 20 0 GGADHM CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504493 599311602 /nfs/dbraw/zinc/31/16/02/599311602.db2.gz AYHAVGCPRNMFRQ-UHFFFAOYSA-N -1 3 388.431 3.426 20 0 GGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)O1 ZINC000820690961 599312000 /nfs/dbraw/zinc/31/20/00/599312000.db2.gz UNOVAVIKOGJZMY-DOMZBBRYSA-N -1 3 398.492 3.200 20 0 GGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)O1 ZINC000820690961 599312004 /nfs/dbraw/zinc/31/20/04/599312004.db2.gz UNOVAVIKOGJZMY-DOMZBBRYSA-N -1 3 398.492 3.200 20 0 GGADHM O=C([C@@H]1C[C@]12CCc1ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917719 599312790 /nfs/dbraw/zinc/31/27/90/599312790.db2.gz VUIXPVZVXGNYCW-REWPJTCUSA-N -1 3 385.471 3.262 20 0 GGADHM O=C([C@@H]1C[C@]12CCc1ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917719 599312792 /nfs/dbraw/zinc/31/27/92/599312792.db2.gz VUIXPVZVXGNYCW-REWPJTCUSA-N -1 3 385.471 3.262 20 0 GGADHM CCN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507287 599312857 /nfs/dbraw/zinc/31/28/57/599312857.db2.gz CVAPTDBLDMPJPS-IBGZPJMESA-N -1 3 393.447 3.091 20 0 GGADHM CCN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507287 599312859 /nfs/dbraw/zinc/31/28/59/599312859.db2.gz CVAPTDBLDMPJPS-IBGZPJMESA-N -1 3 393.447 3.091 20 0 GGADHM CCN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507231 599313088 /nfs/dbraw/zinc/31/30/88/599313088.db2.gz BZHXENDNLMRWJB-UHFFFAOYSA-N -1 3 377.326 3.432 20 0 GGADHM CCN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507231 599313091 /nfs/dbraw/zinc/31/30/91/599313091.db2.gz BZHXENDNLMRWJB-UHFFFAOYSA-N -1 3 377.326 3.432 20 0 GGADHM CC(C)c1ccc(OCCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824348070 607368189 /nfs/dbraw/zinc/36/81/89/607368189.db2.gz YPLSJUZOKAVRBG-UHFFFAOYSA-N -1 3 394.431 3.185 20 0 GGADHM CC(C)c1ccc(OCCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824348070 607368190 /nfs/dbraw/zinc/36/81/90/607368190.db2.gz YPLSJUZOKAVRBG-UHFFFAOYSA-N -1 3 394.431 3.185 20 0 GGADHM CS[C@H]1CCCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821956390 607368394 /nfs/dbraw/zinc/36/83/94/607368394.db2.gz NQEUZLWXPRPYMU-NSHDSACASA-N -1 3 382.946 3.434 20 0 GGADHM CS[C@H]1CCCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821956390 607368397 /nfs/dbraw/zinc/36/83/97/607368397.db2.gz NQEUZLWXPRPYMU-NSHDSACASA-N -1 3 382.946 3.434 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C[S@](=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819947013 607368521 /nfs/dbraw/zinc/36/85/21/607368521.db2.gz ZKXFRWDEKMQBIS-MUUNZHRXSA-N -1 3 398.488 3.271 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C[S@](=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819947013 607368522 /nfs/dbraw/zinc/36/85/22/607368522.db2.gz ZKXFRWDEKMQBIS-MUUNZHRXSA-N -1 3 398.488 3.271 20 0 GGADHM C[C@@H](Nc1ncccc1C(=O)N1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135567 599323043 /nfs/dbraw/zinc/32/30/43/599323043.db2.gz BKGBQZYBDRDWDP-CQSZACIVSA-N -1 3 377.452 3.061 20 0 GGADHM C[C@@H](Nc1ncccc1C(=O)N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135567 599323046 /nfs/dbraw/zinc/32/30/46/599323046.db2.gz BKGBQZYBDRDWDP-CQSZACIVSA-N -1 3 377.452 3.061 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N(C[C@H]2CCCO2)C2CCCC2)n1 ZINC000737633751 599323301 /nfs/dbraw/zinc/32/33/01/599323301.db2.gz VUFPXPLDYRZWDY-GFCCVEGCSA-N -1 3 382.390 3.209 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N(C[C@H]2CCCO2)C2CCCC2)n1 ZINC000737633751 599323302 /nfs/dbraw/zinc/32/33/02/599323302.db2.gz VUFPXPLDYRZWDY-GFCCVEGCSA-N -1 3 382.390 3.209 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822194335 599323543 /nfs/dbraw/zinc/32/35/43/599323543.db2.gz SJPFRMZPOKDBNW-OAHLLOKOSA-N -1 3 385.493 3.140 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822194335 599323544 /nfs/dbraw/zinc/32/35/44/599323544.db2.gz SJPFRMZPOKDBNW-OAHLLOKOSA-N -1 3 385.493 3.140 20 0 GGADHM CCc1cccc(CC)c1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821491876 599325313 /nfs/dbraw/zinc/32/53/13/599325313.db2.gz AHLCZNNQKVRNFX-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM CCc1cccc(CC)c1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821491876 599325316 /nfs/dbraw/zinc/32/53/16/599325316.db2.gz AHLCZNNQKVRNFX-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM COc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)c(OC)cc1Cl ZINC000737052877 599325791 /nfs/dbraw/zinc/32/57/91/599325791.db2.gz CCVLRIVPBOHFSN-UHFFFAOYSA-N -1 3 375.816 3.028 20 0 GGADHM COc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)c(OC)cc1Cl ZINC000737052877 599325793 /nfs/dbraw/zinc/32/57/93/599325793.db2.gz CCVLRIVPBOHFSN-UHFFFAOYSA-N -1 3 375.816 3.028 20 0 GGADHM C[C@H](SCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189817 599325805 /nfs/dbraw/zinc/32/58/05/599325805.db2.gz RHRQXUUWPICMPC-ZDUSSCGKSA-N -1 3 393.472 3.347 20 0 GGADHM C[C@H](SCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189817 599325807 /nfs/dbraw/zinc/32/58/07/599325807.db2.gz RHRQXUUWPICMPC-ZDUSSCGKSA-N -1 3 393.472 3.347 20 0 GGADHM Cc1csc2nc(CS[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc(=O)n12 ZINC000737452760 599327181 /nfs/dbraw/zinc/32/71/81/599327181.db2.gz KPZYFHALVYGSNU-LLVKDONJSA-N -1 3 384.490 3.239 20 0 GGADHM Cc1csc2nc(CS[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc(=O)n12 ZINC000737452760 599327184 /nfs/dbraw/zinc/32/71/84/599327184.db2.gz KPZYFHALVYGSNU-LLVKDONJSA-N -1 3 384.490 3.239 20 0 GGADHM C[C@@H](SCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188035 599330321 /nfs/dbraw/zinc/33/03/21/599330321.db2.gz HIBFOHPRHGRHAP-CQSZACIVSA-N -1 3 392.488 3.298 20 0 GGADHM C[C@@H](SCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188035 599330324 /nfs/dbraw/zinc/33/03/24/599330324.db2.gz HIBFOHPRHGRHAP-CQSZACIVSA-N -1 3 392.488 3.298 20 0 GGADHM Fc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000737651671 599331285 /nfs/dbraw/zinc/33/12/85/599331285.db2.gz MVUHCXDYNZXMSP-UHFFFAOYSA-N -1 3 378.205 3.259 20 0 GGADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@@H]1c1cccs1 ZINC000823601023 599337029 /nfs/dbraw/zinc/33/70/29/599337029.db2.gz OJVLSCKKURWDAA-GFCCVEGCSA-N -1 3 395.897 3.107 20 0 GGADHM COc1cc2cc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)[nH]c2cc1OC ZINC000737055183 599340061 /nfs/dbraw/zinc/34/00/61/599340061.db2.gz JYXMCHUDLLJXLU-LLVKDONJSA-N -1 3 393.403 3.283 20 0 GGADHM COc1cc2cc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)[nH]c2cc1OC ZINC000737055183 599340064 /nfs/dbraw/zinc/34/00/64/599340064.db2.gz JYXMCHUDLLJXLU-LLVKDONJSA-N -1 3 393.403 3.283 20 0 GGADHM Cc1ccc(CN(C(=O)CSc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000822236005 599345736 /nfs/dbraw/zinc/34/57/36/599345736.db2.gz GGSLEFSMPLNMIM-UHFFFAOYSA-N -1 3 379.489 3.458 20 0 GGADHM Cc1ccc(CN(C(=O)CSc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000822236005 599345738 /nfs/dbraw/zinc/34/57/38/599345738.db2.gz GGSLEFSMPLNMIM-UHFFFAOYSA-N -1 3 379.489 3.458 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000736184932 599346120 /nfs/dbraw/zinc/34/61/20/599346120.db2.gz PQFMSHWFLLDYFN-CYBMUJFWSA-N -1 3 395.467 3.434 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000736184932 599346122 /nfs/dbraw/zinc/34/61/22/599346122.db2.gz PQFMSHWFLLDYFN-CYBMUJFWSA-N -1 3 395.467 3.434 20 0 GGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820564092 599347174 /nfs/dbraw/zinc/34/71/74/599347174.db2.gz YDGHTJNAWGCYRX-LLVKDONJSA-N -1 3 389.431 3.457 20 0 GGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820564092 599347176 /nfs/dbraw/zinc/34/71/76/599347176.db2.gz YDGHTJNAWGCYRX-LLVKDONJSA-N -1 3 389.431 3.457 20 0 GGADHM CC(C)Oc1ccc(CCNC(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000820155741 599348959 /nfs/dbraw/zinc/34/89/59/599348959.db2.gz VYTRMJSTZUZIAB-UHFFFAOYSA-N -1 3 397.504 3.105 20 0 GGADHM CC(C)Oc1ccc(CCNC(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000820155741 599348962 /nfs/dbraw/zinc/34/89/62/599348962.db2.gz VYTRMJSTZUZIAB-UHFFFAOYSA-N -1 3 397.504 3.105 20 0 GGADHM C[C@H](OCCCNC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820519314 599349924 /nfs/dbraw/zinc/34/99/24/599349924.db2.gz RHFQKFKXUHLGCK-HNNXBMFYSA-N -1 3 397.504 3.243 20 0 GGADHM C[C@H](OCCCNC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820519314 599349927 /nfs/dbraw/zinc/34/99/27/599349927.db2.gz RHFQKFKXUHLGCK-HNNXBMFYSA-N -1 3 397.504 3.243 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000820847407 607370483 /nfs/dbraw/zinc/37/04/83/607370483.db2.gz DPTJBXZZSAGRHP-UHFFFAOYSA-N -1 3 394.479 3.406 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000820847407 607370485 /nfs/dbraw/zinc/37/04/85/607370485.db2.gz DPTJBXZZSAGRHP-UHFFFAOYSA-N -1 3 394.479 3.406 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000822145821 599351941 /nfs/dbraw/zinc/35/19/41/599351941.db2.gz UYYXITUADAZKKO-RKVPGOIHSA-N -1 3 397.504 3.130 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000822145821 599351944 /nfs/dbraw/zinc/35/19/44/599351944.db2.gz UYYXITUADAZKKO-RKVPGOIHSA-N -1 3 397.504 3.130 20 0 GGADHM Cc1cc(=O)oc2cc(OCCSc3ccccc3-c3nnn[n-]3)ccc12 ZINC000822161386 599353176 /nfs/dbraw/zinc/35/31/76/599353176.db2.gz OWQFLSJFFCRVNG-UHFFFAOYSA-N -1 3 380.429 3.453 20 0 GGADHM Cc1cc(=O)oc2cc(OCCSc3ccccc3-c3nn[n-]n3)ccc12 ZINC000822161386 599353178 /nfs/dbraw/zinc/35/31/78/599353178.db2.gz OWQFLSJFFCRVNG-UHFFFAOYSA-N -1 3 380.429 3.453 20 0 GGADHM C[C@H](Nc1ncccc1I)c1cccc(-c2nnn[n-]2)c1 ZINC000820461024 599356871 /nfs/dbraw/zinc/35/68/71/599356871.db2.gz DQVHMIHPKHZURB-VIFPVBQESA-N -1 3 392.204 3.039 20 0 GGADHM C[C@H](Nc1ncccc1I)c1cccc(-c2nn[n-]n2)c1 ZINC000820461024 599356875 /nfs/dbraw/zinc/35/68/75/599356875.db2.gz DQVHMIHPKHZURB-VIFPVBQESA-N -1 3 392.204 3.039 20 0 GGADHM Brc1ccc(N2CC[C@@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000735368925 599362962 /nfs/dbraw/zinc/36/29/62/599362962.db2.gz PLJNTLKLEVTADI-CQSZACIVSA-N -1 3 385.269 3.320 20 0 GGADHM Brc1ccc(N2CC[C@@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735368925 599362964 /nfs/dbraw/zinc/36/29/64/599362964.db2.gz PLJNTLKLEVTADI-CQSZACIVSA-N -1 3 385.269 3.320 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(Cc2ccccc2)no1 ZINC000820414584 599366388 /nfs/dbraw/zinc/36/63/88/599366388.db2.gz ZRHCJRSYTPOETR-ZIAGYGMSSA-N -1 3 375.436 3.252 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2ccccc2)no1 ZINC000820414584 599366391 /nfs/dbraw/zinc/36/63/91/599366391.db2.gz ZRHCJRSYTPOETR-ZIAGYGMSSA-N -1 3 375.436 3.252 20 0 GGADHM C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438148 599368848 /nfs/dbraw/zinc/36/88/48/599368848.db2.gz JJNWSPBEVDQQBO-HNNXBMFYSA-N -1 3 385.475 3.392 20 0 GGADHM CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821033672 599369374 /nfs/dbraw/zinc/36/93/74/599369374.db2.gz DHDBNKQYPLUTGB-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821033672 599369377 /nfs/dbraw/zinc/36/93/77/599369377.db2.gz DHDBNKQYPLUTGB-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(CNC(=O)OC(C)C)cc1 ZINC000821736981 607371477 /nfs/dbraw/zinc/37/14/77/607371477.db2.gz PSUNGNZPOJUEND-UHFFFAOYSA-N -1 3 396.451 3.122 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(CNC(=O)OC(C)C)cc1 ZINC000821736981 607371479 /nfs/dbraw/zinc/37/14/79/607371479.db2.gz PSUNGNZPOJUEND-UHFFFAOYSA-N -1 3 396.451 3.122 20 0 GGADHM COCCOC(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821692489 599371865 /nfs/dbraw/zinc/37/18/65/599371865.db2.gz ZEVWPBMQHZORLU-CYBMUJFWSA-N -1 3 382.424 3.235 20 0 GGADHM COCCOC(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821692489 599371867 /nfs/dbraw/zinc/37/18/67/599371867.db2.gz ZEVWPBMQHZORLU-CYBMUJFWSA-N -1 3 382.424 3.235 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC2(C1)CCCCCC2 ZINC000823567363 599373491 /nfs/dbraw/zinc/37/34/91/599373491.db2.gz RKGIMHQHMGINDJ-UHFFFAOYSA-N -1 3 389.525 3.133 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC2(C1)CCCCCC2 ZINC000823567363 599373494 /nfs/dbraw/zinc/37/34/94/599373494.db2.gz RKGIMHQHMGINDJ-UHFFFAOYSA-N -1 3 389.525 3.133 20 0 GGADHM C[C@@H](NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437647 599378044 /nfs/dbraw/zinc/37/80/44/599378044.db2.gz AYZSPNNGTAPGKW-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@@H](NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437647 599378046 /nfs/dbraw/zinc/37/80/46/599378046.db2.gz AYZSPNNGTAPGKW-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM CCCC[C@@H](COC)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736436516 599378086 /nfs/dbraw/zinc/37/80/86/599378086.db2.gz DCSZMFMTWQAKNZ-HNNXBMFYSA-N -1 3 379.464 3.469 20 0 GGADHM CCCC[C@@H](COC)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736436516 599378088 /nfs/dbraw/zinc/37/80/88/599378088.db2.gz DCSZMFMTWQAKNZ-HNNXBMFYSA-N -1 3 379.464 3.469 20 0 GGADHM C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438338 599378111 /nfs/dbraw/zinc/37/81/11/599378111.db2.gz NCPBGNCAGAPHHD-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438338 599378114 /nfs/dbraw/zinc/37/81/14/599378114.db2.gz NCPBGNCAGAPHHD-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM COc1ccc(Br)c(NCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821769084 607371703 /nfs/dbraw/zinc/37/17/03/607371703.db2.gz CPIQLWFDTSGSJQ-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(Br)c(NCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821769084 607371704 /nfs/dbraw/zinc/37/17/04/607371704.db2.gz CPIQLWFDTSGSJQ-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000736963927 599379066 /nfs/dbraw/zinc/37/90/66/599379066.db2.gz VGNBYEYEDJCERG-TVQRCGJNSA-N -1 3 377.857 3.088 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000736963927 599379069 /nfs/dbraw/zinc/37/90/69/599379069.db2.gz VGNBYEYEDJCERG-TVQRCGJNSA-N -1 3 377.857 3.088 20 0 GGADHM O=C(NCCCC1CC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738056915 599380000 /nfs/dbraw/zinc/38/00/00/599380000.db2.gz XGUKTRMQRZFXQZ-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM O=C(NCCCC1CC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738056915 599380003 /nfs/dbraw/zinc/38/00/03/599380003.db2.gz XGUKTRMQRZFXQZ-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H](C)CCC(C)(C)C ZINC000737034322 599381003 /nfs/dbraw/zinc/38/10/03/599381003.db2.gz ZCANJSLYQXFEBO-AWEZNQCLSA-N -1 3 389.500 3.365 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H](C)CCC(C)(C)C ZINC000737034322 599381005 /nfs/dbraw/zinc/38/10/05/599381005.db2.gz ZCANJSLYQXFEBO-AWEZNQCLSA-N -1 3 389.500 3.365 20 0 GGADHM CS(=O)(=O)N(Cc1cc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821932711 599381917 /nfs/dbraw/zinc/38/19/17/599381917.db2.gz PZXGBEIYEQHSCC-UHFFFAOYSA-N -1 3 398.275 3.140 20 0 GGADHM CS(=O)(=O)N(Cc1cc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821932711 599381920 /nfs/dbraw/zinc/38/19/20/599381920.db2.gz PZXGBEIYEQHSCC-UHFFFAOYSA-N -1 3 398.275 3.140 20 0 GGADHM CSCC[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737180714 599383052 /nfs/dbraw/zinc/38/30/52/599383052.db2.gz HWHNDBIBRSPJDG-CQSZACIVSA-N -1 3 397.504 3.317 20 0 GGADHM CCOc1ccccc1OCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821438347 599383630 /nfs/dbraw/zinc/38/36/30/599383630.db2.gz ZWBSJWYPSUNBCH-UHFFFAOYSA-N -1 3 376.420 3.208 20 0 GGADHM CCOc1ccccc1OCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821438347 599383633 /nfs/dbraw/zinc/38/36/33/599383633.db2.gz ZWBSJWYPSUNBCH-UHFFFAOYSA-N -1 3 376.420 3.208 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000820414480 599386842 /nfs/dbraw/zinc/38/68/42/599386842.db2.gz YFHVAFLXOYQAJR-VXGBXAGGSA-N -1 3 379.399 3.468 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000820414480 599386844 /nfs/dbraw/zinc/38/68/44/599386844.db2.gz YFHVAFLXOYQAJR-VXGBXAGGSA-N -1 3 379.399 3.468 20 0 GGADHM CC(C)Oc1ccc(NCc2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000820173531 607372376 /nfs/dbraw/zinc/37/23/76/607372376.db2.gz GNUDNYMKVAUGMT-UHFFFAOYSA-N -1 3 375.436 3.452 20 0 GGADHM CC(C)Oc1ccc(NCc2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000820173531 607372377 /nfs/dbraw/zinc/37/23/77/607372377.db2.gz GNUDNYMKVAUGMT-UHFFFAOYSA-N -1 3 375.436 3.452 20 0 GGADHM COc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1Br ZINC000821777430 599396386 /nfs/dbraw/zinc/39/63/86/599396386.db2.gz FDYIJFZNKONQFC-VIFPVBQESA-N -1 3 378.230 3.082 20 0 GGADHM CCN(CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C)c1 ZINC000821215242 599402074 /nfs/dbraw/zinc/40/20/74/599402074.db2.gz PCAUVHSNOMPERY-INIZCTEOSA-N -1 3 393.495 3.062 20 0 GGADHM CCN(CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C)c1 ZINC000821215242 599402077 /nfs/dbraw/zinc/40/20/77/599402077.db2.gz PCAUVHSNOMPERY-INIZCTEOSA-N -1 3 393.495 3.062 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820667948 599409448 /nfs/dbraw/zinc/40/94/48/599409448.db2.gz PDVPUEVLMIIIRN-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820667948 599409451 /nfs/dbraw/zinc/40/94/51/599409451.db2.gz PDVPUEVLMIIIRN-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC(OCC2CCCCC2)CC1 ZINC000823246158 599410503 /nfs/dbraw/zinc/41/05/03/599410503.db2.gz DZNUVQXTFBEADS-UHFFFAOYSA-N -1 3 398.511 3.138 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC(OCC2CCCCC2)CC1 ZINC000823246158 599410506 /nfs/dbraw/zinc/41/05/06/599410506.db2.gz DZNUVQXTFBEADS-UHFFFAOYSA-N -1 3 398.511 3.138 20 0 GGADHM O=C(Nc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)c1)c1ccc(F)cc1 ZINC000823363661 599410559 /nfs/dbraw/zinc/41/05/59/599410559.db2.gz LCGCETMSOBSOKO-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM O=C(Nc1cccc(CNCc2ccc(-c3nn[n-]n3)o2)c1)c1ccc(F)cc1 ZINC000823363661 599410562 /nfs/dbraw/zinc/41/05/62/599410562.db2.gz LCGCETMSOBSOKO-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM COCCOc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737014250 599411465 /nfs/dbraw/zinc/41/14/65/599411465.db2.gz GVLZDMXPSUWFOJ-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM COCCOc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737014250 599411468 /nfs/dbraw/zinc/41/14/68/599411468.db2.gz GVLZDMXPSUWFOJ-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000825082191 607374888 /nfs/dbraw/zinc/37/48/88/607374888.db2.gz RDZHJVYLLLPWMB-OAHLLOKOSA-N -1 3 378.432 3.485 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825082191 607374890 /nfs/dbraw/zinc/37/48/90/607374890.db2.gz RDZHJVYLLLPWMB-OAHLLOKOSA-N -1 3 378.432 3.485 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736425215 599422231 /nfs/dbraw/zinc/42/22/31/599422231.db2.gz TYIVIQXYEYQNFK-OLZOCXBDSA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736425215 599422236 /nfs/dbraw/zinc/42/22/36/599422236.db2.gz TYIVIQXYEYQNFK-OLZOCXBDSA-N -1 3 376.892 3.041 20 0 GGADHM CCCOc1ccc(CCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825339143 607376185 /nfs/dbraw/zinc/37/61/85/607376185.db2.gz OSXGLINKJKYNGN-UHFFFAOYSA-N -1 3 394.431 3.014 20 0 GGADHM CCCOc1ccc(CCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825339143 607376187 /nfs/dbraw/zinc/37/61/87/607376187.db2.gz OSXGLINKJKYNGN-UHFFFAOYSA-N -1 3 394.431 3.014 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824412801 607376262 /nfs/dbraw/zinc/37/62/62/607376262.db2.gz GASPFESKRPPDMU-ZDUSSCGKSA-N -1 3 382.395 3.001 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824412801 607376263 /nfs/dbraw/zinc/37/62/63/607376263.db2.gz GASPFESKRPPDMU-ZDUSSCGKSA-N -1 3 382.395 3.001 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CCc2c1cccc2Cl ZINC000823238248 599424646 /nfs/dbraw/zinc/42/46/46/599424646.db2.gz JRISKFIHOFGFKC-MRXNPFEDSA-N -1 3 386.818 3.146 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCc2c1cccc2Cl ZINC000823238248 599424648 /nfs/dbraw/zinc/42/46/48/599424648.db2.gz JRISKFIHOFGFKC-MRXNPFEDSA-N -1 3 386.818 3.146 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NCc1ccccc1C(F)(F)F ZINC000823237792 599425889 /nfs/dbraw/zinc/42/58/89/599425889.db2.gz BLODZJMQQLYWQC-UHFFFAOYSA-N -1 3 394.332 3.024 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NCc1ccccc1C(F)(F)F ZINC000823237792 599425891 /nfs/dbraw/zinc/42/58/91/599425891.db2.gz BLODZJMQQLYWQC-UHFFFAOYSA-N -1 3 394.332 3.024 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357921 599427071 /nfs/dbraw/zinc/42/70/71/599427071.db2.gz KJTJYRKDCRUSIJ-DYVFJYSZSA-N -1 3 378.436 3.141 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357921 599427073 /nfs/dbraw/zinc/42/70/73/599427073.db2.gz KJTJYRKDCRUSIJ-DYVFJYSZSA-N -1 3 378.436 3.141 20 0 GGADHM Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826324302 607376897 /nfs/dbraw/zinc/37/68/97/607376897.db2.gz LRTHVKSHDUMOLW-UHFFFAOYSA-N -1 3 397.460 3.329 20 0 GGADHM Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826324302 607376899 /nfs/dbraw/zinc/37/68/99/607376899.db2.gz LRTHVKSHDUMOLW-UHFFFAOYSA-N -1 3 397.460 3.329 20 0 GGADHM COc1ccc(CN[C@H](c2ccc(F)cc2)c2cccnc2)cc1-c1nnn[n-]1 ZINC000821804853 599431024 /nfs/dbraw/zinc/43/10/24/599431024.db2.gz PYFYRLPAMLDNEF-HXUWFJFHSA-N -1 3 390.422 3.289 20 0 GGADHM COc1ccc(CN[C@H](c2ccc(F)cc2)c2cccnc2)cc1-c1nn[n-]n1 ZINC000821804853 599431026 /nfs/dbraw/zinc/43/10/26/599431026.db2.gz PYFYRLPAMLDNEF-HXUWFJFHSA-N -1 3 390.422 3.289 20 0 GGADHM CCc1nccn1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736706099 599431558 /nfs/dbraw/zinc/43/15/58/599431558.db2.gz SYOLHTSDTPFTLV-ZDUSSCGKSA-N -1 3 391.401 3.486 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nncn1CCc1cccs1 ZINC000821752974 607377804 /nfs/dbraw/zinc/37/78/04/607377804.db2.gz XHHSJRUCOQZZLT-UHFFFAOYSA-N -1 3 399.505 3.063 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735628685 599434037 /nfs/dbraw/zinc/43/40/37/599434037.db2.gz XYPNZLZLENIMHU-GFCCVEGCSA-N -1 3 378.864 3.332 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735628685 599434040 /nfs/dbraw/zinc/43/40/40/599434040.db2.gz XYPNZLZLENIMHU-GFCCVEGCSA-N -1 3 378.864 3.332 20 0 GGADHM CC(C)[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)NC(=O)OC(C)(C)C ZINC000735706494 599438084 /nfs/dbraw/zinc/43/80/84/599438084.db2.gz CCUPSORBQIKCDX-INIZCTEOSA-N -1 3 397.483 3.376 20 0 GGADHM CC(C)[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)NC(=O)OC(C)(C)C ZINC000735706494 599438087 /nfs/dbraw/zinc/43/80/87/599438087.db2.gz CCUPSORBQIKCDX-INIZCTEOSA-N -1 3 397.483 3.376 20 0 GGADHM COc1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000821821432 599440103 /nfs/dbraw/zinc/44/01/03/599440103.db2.gz GHBFMWFVSSZMRV-QGZVFWFLSA-N -1 3 381.436 3.045 20 0 GGADHM COc1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000821821432 599440107 /nfs/dbraw/zinc/44/01/07/599440107.db2.gz GHBFMWFVSSZMRV-QGZVFWFLSA-N -1 3 381.436 3.045 20 0 GGADHM C[C@H](NC(=O)NCC(C)(C)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356960 599441565 /nfs/dbraw/zinc/44/15/65/599441565.db2.gz DHMMQIRDLPKOSH-ZDUSSCGKSA-N -1 3 382.443 3.344 20 0 GGADHM C[C@H](NC(=O)NCC(C)(C)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356960 599441568 /nfs/dbraw/zinc/44/15/68/599441568.db2.gz DHMMQIRDLPKOSH-ZDUSSCGKSA-N -1 3 382.443 3.344 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822370247 599443369 /nfs/dbraw/zinc/44/33/69/599443369.db2.gz URQJOUPBVVIWDF-RHSMWYFYSA-N -1 3 379.468 3.328 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822370247 599443370 /nfs/dbraw/zinc/44/33/70/599443370.db2.gz URQJOUPBVVIWDF-RHSMWYFYSA-N -1 3 379.468 3.328 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nncn1[C@H](C)c1ccccc1 ZINC000821753093 607379431 /nfs/dbraw/zinc/37/94/31/607379431.db2.gz ZFBXAIYKZWGBJJ-CYBMUJFWSA-N -1 3 393.476 3.368 20 0 GGADHM Cc1cccc(C(C)(C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000442950993 599448298 /nfs/dbraw/zinc/44/82/98/599448298.db2.gz GATHKXCOHMYADW-UHFFFAOYSA-N -1 3 391.884 3.042 20 0 GGADHM Cc1cccc(C(C)(C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000442950993 599448301 /nfs/dbraw/zinc/44/83/01/599448301.db2.gz GATHKXCOHMYADW-UHFFFAOYSA-N -1 3 391.884 3.042 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822350573 599452628 /nfs/dbraw/zinc/45/26/28/599452628.db2.gz DSIMNCSYNLLNMX-LJQANCHMSA-N -1 3 392.463 3.101 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Cl ZINC000736117300 599452989 /nfs/dbraw/zinc/45/29/89/599452989.db2.gz JEWOYVGUIYRSFO-SECBINFHSA-N -1 3 392.797 3.359 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000736117300 599452992 /nfs/dbraw/zinc/45/29/92/599452992.db2.gz JEWOYVGUIYRSFO-SECBINFHSA-N -1 3 392.797 3.359 20 0 GGADHM COc1ccc(Br)cc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000821770857 599456162 /nfs/dbraw/zinc/45/61/62/599456162.db2.gz YQXWFLZCIRMTQG-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821872726 599456656 /nfs/dbraw/zinc/45/66/56/599456656.db2.gz OKPDPKNTQBTSLF-RYUDHWBXSA-N -1 3 384.415 3.136 20 0 GGADHM COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821872726 599456658 /nfs/dbraw/zinc/45/66/58/599456658.db2.gz OKPDPKNTQBTSLF-RYUDHWBXSA-N -1 3 384.415 3.136 20 0 GGADHM CCCOc1c(CNCc2cc(-c3nn[n-]n3)ccc2F)cccc1OCC ZINC000821128014 599458422 /nfs/dbraw/zinc/45/84/22/599458422.db2.gz OSAYPNPNRANENI-UHFFFAOYSA-N -1 3 385.443 3.483 20 0 GGADHM OC1CCN(c2ccc(NCc3cc4ccccc4o3)cc2-c2nnn[n-]2)CC1 ZINC000823705370 599460937 /nfs/dbraw/zinc/46/09/37/599460937.db2.gz GNMSNBJTMSESMW-UHFFFAOYSA-N -1 3 390.447 3.186 20 0 GGADHM OC1CCN(c2ccc(NCc3cc4ccccc4o3)cc2-c2nn[n-]n2)CC1 ZINC000823705370 599460939 /nfs/dbraw/zinc/46/09/39/599460939.db2.gz GNMSNBJTMSESMW-UHFFFAOYSA-N -1 3 390.447 3.186 20 0 GGADHM CCC(=CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825028038 607380403 /nfs/dbraw/zinc/38/04/03/607380403.db2.gz DGNCCRWIHDGBSP-WYMLVPIESA-N -1 3 392.415 3.095 20 0 GGADHM CCC(=CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825028038 607380404 /nfs/dbraw/zinc/38/04/04/607380404.db2.gz DGNCCRWIHDGBSP-WYMLVPIESA-N -1 3 392.415 3.095 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000736179271 599467645 /nfs/dbraw/zinc/46/76/45/599467645.db2.gz BZRBJGBKQFDTSW-ZBFHGGJFSA-N -1 3 381.436 3.371 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000736179271 599467649 /nfs/dbraw/zinc/46/76/49/599467649.db2.gz BZRBJGBKQFDTSW-ZBFHGGJFSA-N -1 3 381.436 3.371 20 0 GGADHM C[C@H](CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820260537 599467784 /nfs/dbraw/zinc/46/77/84/599467784.db2.gz IFDNWWFMQUVQBT-CQSZACIVSA-N -1 3 382.493 3.189 20 0 GGADHM C[C@H](CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820260537 599467786 /nfs/dbraw/zinc/46/77/86/599467786.db2.gz IFDNWWFMQUVQBT-CQSZACIVSA-N -1 3 382.493 3.189 20 0 GGADHM C[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC000820259627 599468326 /nfs/dbraw/zinc/46/83/26/599468326.db2.gz ALOAXVMETNKCIG-ZIAGYGMSSA-N -1 3 382.493 3.408 20 0 GGADHM C[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC000820259627 599468328 /nfs/dbraw/zinc/46/83/28/599468328.db2.gz ALOAXVMETNKCIG-ZIAGYGMSSA-N -1 3 382.493 3.408 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737796032 599468507 /nfs/dbraw/zinc/46/85/07/599468507.db2.gz DYXSKRMWCZZFJM-JCVNQNCUSA-N -1 3 377.423 3.110 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737796032 599468508 /nfs/dbraw/zinc/46/85/08/599468508.db2.gz DYXSKRMWCZZFJM-JCVNQNCUSA-N -1 3 377.423 3.110 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737796030 599468734 /nfs/dbraw/zinc/46/87/34/599468734.db2.gz DYXSKRMWCZZFJM-BSDKJSHOSA-N -1 3 377.423 3.110 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737796030 599468737 /nfs/dbraw/zinc/46/87/37/599468737.db2.gz DYXSKRMWCZZFJM-BSDKJSHOSA-N -1 3 377.423 3.110 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@H](Cc1ccccc1)C1CC1 ZINC000737932038 599469337 /nfs/dbraw/zinc/46/93/37/599469337.db2.gz IRUOCIWDFMAOKG-LJQANCHMSA-N -1 3 393.516 3.237 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@H](Cc1ccccc1)C1CC1 ZINC000737932038 599469338 /nfs/dbraw/zinc/46/93/38/599469338.db2.gz IRUOCIWDFMAOKG-LJQANCHMSA-N -1 3 393.516 3.237 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737941553 599469355 /nfs/dbraw/zinc/46/93/55/599469355.db2.gz DLRYRTNULUOPMR-HNNXBMFYSA-N -1 3 397.479 3.189 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737941553 599469356 /nfs/dbraw/zinc/46/93/56/599469356.db2.gz DLRYRTNULUOPMR-HNNXBMFYSA-N -1 3 397.479 3.189 20 0 GGADHM Cc1cc(-c2cccc(F)c2)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822130154 599471509 /nfs/dbraw/zinc/47/15/09/599471509.db2.gz QATUBKVSHGUSJV-UHFFFAOYSA-N -1 3 375.411 3.408 20 0 GGADHM Cc1cc(-c2cccc(F)c2)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822130154 599471512 /nfs/dbraw/zinc/47/15/12/599471512.db2.gz QATUBKVSHGUSJV-UHFFFAOYSA-N -1 3 375.411 3.408 20 0 GGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822341379 599472244 /nfs/dbraw/zinc/47/22/44/599472244.db2.gz WOWWBPMVXGDNIZ-DYVFJYSZSA-N -1 3 378.436 3.059 20 0 GGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822341379 599472247 /nfs/dbraw/zinc/47/22/47/599472247.db2.gz WOWWBPMVXGDNIZ-DYVFJYSZSA-N -1 3 378.436 3.059 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3cccnc3OC(C)C)c2c1 ZINC000822196733 599481109 /nfs/dbraw/zinc/48/11/09/599481109.db2.gz VDSPWYXYPBCHDN-UHFFFAOYSA-N -1 3 389.463 3.248 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3cccnc3OC(C)C)c2c1 ZINC000822196733 599481110 /nfs/dbraw/zinc/48/11/10/599481110.db2.gz VDSPWYXYPBCHDN-UHFFFAOYSA-N -1 3 389.463 3.248 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCCC[C@H]1c1ccco1 ZINC000737300450 599481539 /nfs/dbraw/zinc/48/15/39/599481539.db2.gz YBOBSWFBSQQCNQ-HNNXBMFYSA-N -1 3 387.465 3.074 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCCC[C@H]1c1ccco1 ZINC000737300450 599481542 /nfs/dbraw/zinc/48/15/42/599481542.db2.gz YBOBSWFBSQQCNQ-HNNXBMFYSA-N -1 3 387.465 3.074 20 0 GGADHM COc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821794364 599484929 /nfs/dbraw/zinc/48/49/29/599484929.db2.gz FOHUJXHVDXCELZ-CQSZACIVSA-N -1 3 380.452 3.086 20 0 GGADHM COc1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821794364 599484931 /nfs/dbraw/zinc/48/49/31/599484931.db2.gz FOHUJXHVDXCELZ-CQSZACIVSA-N -1 3 380.452 3.086 20 0 GGADHM Cc1ccccc1[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350530 599485023 /nfs/dbraw/zinc/48/50/23/599485023.db2.gz DOTVMIHVJYKUDP-QAPCUYQASA-N -1 3 376.464 3.435 20 0 GGADHM Cc1ccccc1[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350530 599485025 /nfs/dbraw/zinc/48/50/25/599485025.db2.gz DOTVMIHVJYKUDP-QAPCUYQASA-N -1 3 376.464 3.435 20 0 GGADHM CC(C)CC[C@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820072713 599488327 /nfs/dbraw/zinc/48/83/27/599488327.db2.gz LMYLERJLSQCUPY-QFIPXVFZSA-N -1 3 393.491 3.451 20 0 GGADHM CC(C)CC[C@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820072713 599488331 /nfs/dbraw/zinc/48/83/31/599488331.db2.gz LMYLERJLSQCUPY-QFIPXVFZSA-N -1 3 393.491 3.451 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCOc2ccccc2C1 ZINC000822775515 599489235 /nfs/dbraw/zinc/48/92/35/599489235.db2.gz XQPFAMWAMXBELQ-UHFFFAOYSA-N -1 3 380.358 3.092 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCOc2ccccc2C1 ZINC000822775515 599489238 /nfs/dbraw/zinc/48/92/38/599489238.db2.gz XQPFAMWAMXBELQ-UHFFFAOYSA-N -1 3 380.358 3.092 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)O1 ZINC000820684183 599494084 /nfs/dbraw/zinc/49/40/84/599494084.db2.gz MWWPDBLEUBJCJV-WFASDCNBSA-N -1 3 397.401 3.105 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)O1 ZINC000820684183 599494086 /nfs/dbraw/zinc/49/40/86/599494086.db2.gz MWWPDBLEUBJCJV-WFASDCNBSA-N -1 3 397.401 3.105 20 0 GGADHM c1ccc([C@@H]2OCCC[C@H]2CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000823780978 599496786 /nfs/dbraw/zinc/49/67/86/599496786.db2.gz XZFNNKWYTCAEPO-KKSFZXQISA-N -1 3 386.459 3.417 20 0 GGADHM c1ccc([C@@H]2OCCC[C@H]2CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000823780978 599496787 /nfs/dbraw/zinc/49/67/87/599496787.db2.gz XZFNNKWYTCAEPO-KKSFZXQISA-N -1 3 386.459 3.417 20 0 GGADHM Cc1cccc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000737396667 599496972 /nfs/dbraw/zinc/49/69/72/599496972.db2.gz JPBNETYXDHFEAU-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1cccc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000737396667 599496975 /nfs/dbraw/zinc/49/69/75/599496975.db2.gz JPBNETYXDHFEAU-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N(C)C2CC2)cc1 ZINC000737031929 599501510 /nfs/dbraw/zinc/50/15/10/599501510.db2.gz HQOSMJXFDHKCHA-UHFFFAOYSA-N -1 3 380.408 3.294 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N(C)C2CC2)cc1 ZINC000737031929 599501513 /nfs/dbraw/zinc/50/15/13/599501513.db2.gz HQOSMJXFDHKCHA-UHFFFAOYSA-N -1 3 380.408 3.294 20 0 GGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736231712 599503586 /nfs/dbraw/zinc/50/35/86/599503586.db2.gz CHCIHJODBROIDK-WBMJQRKESA-N -1 3 398.417 3.233 20 0 GGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736231712 599503590 /nfs/dbraw/zinc/50/35/90/599503590.db2.gz CHCIHJODBROIDK-WBMJQRKESA-N -1 3 398.417 3.233 20 0 GGADHM CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736646371 599503842 /nfs/dbraw/zinc/50/38/42/599503842.db2.gz FUDNXWUQMZQLDI-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736646371 599503845 /nfs/dbraw/zinc/50/38/45/599503845.db2.gz FUDNXWUQMZQLDI-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334236 599504062 /nfs/dbraw/zinc/50/40/62/599504062.db2.gz LTKPDLHLMYVWSC-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334236 599504063 /nfs/dbraw/zinc/50/40/63/599504063.db2.gz LTKPDLHLMYVWSC-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM CC(C)COc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820103363 599506331 /nfs/dbraw/zinc/50/63/31/599506331.db2.gz WRHGZWXJGUMVTB-HNNXBMFYSA-N -1 3 379.464 3.321 20 0 GGADHM CC(C)COc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820103363 599506333 /nfs/dbraw/zinc/50/63/33/599506333.db2.gz WRHGZWXJGUMVTB-HNNXBMFYSA-N -1 3 379.464 3.321 20 0 GGADHM C[C@H](NC(=O)CCOc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820329015 599509110 /nfs/dbraw/zinc/50/91/10/599509110.db2.gz TZWVUHUVDKNIAR-NSHDSACASA-N -1 3 389.818 3.306 20 0 GGADHM C[C@H](NC(=O)CCOc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820329015 599509113 /nfs/dbraw/zinc/50/91/13/599509113.db2.gz TZWVUHUVDKNIAR-NSHDSACASA-N -1 3 389.818 3.306 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820532948 599509640 /nfs/dbraw/zinc/50/96/40/599509640.db2.gz ABGCGMDQMDRVHI-MNOVXSKESA-N -1 3 389.818 3.304 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820532948 599509641 /nfs/dbraw/zinc/50/96/41/599509641.db2.gz ABGCGMDQMDRVHI-MNOVXSKESA-N -1 3 389.818 3.304 20 0 GGADHM O=C(Nc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1)c1ccncc1 ZINC000823323630 599509882 /nfs/dbraw/zinc/50/98/82/599509882.db2.gz WYDMMXRJVAGXJZ-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(Nc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1)c1ccncc1 ZINC000823323630 599509885 /nfs/dbraw/zinc/50/98/85/599509885.db2.gz WYDMMXRJVAGXJZ-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM Cc1cccc(NC[C@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)n1 ZINC000822323658 599510864 /nfs/dbraw/zinc/51/08/64/599510864.db2.gz LSCLRVGKYQKOGE-OAHLLOKOSA-N -1 3 386.463 3.057 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820232934 607381870 /nfs/dbraw/zinc/38/18/70/607381870.db2.gz IJSLYTAWDLPVAQ-KPZWWZAWSA-N -1 3 378.411 3.478 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820232934 607381872 /nfs/dbraw/zinc/38/18/72/607381872.db2.gz IJSLYTAWDLPVAQ-KPZWWZAWSA-N -1 3 378.411 3.478 20 0 GGADHM C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820402407 599512666 /nfs/dbraw/zinc/51/26/66/599512666.db2.gz DHIMNSWIFLKIEG-AWEZNQCLSA-N -1 3 399.458 3.032 20 0 GGADHM C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820402407 599512667 /nfs/dbraw/zinc/51/26/67/599512667.db2.gz DHIMNSWIFLKIEG-AWEZNQCLSA-N -1 3 399.458 3.032 20 0 GGADHM COc1ccccc1-c1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000821877769 599513576 /nfs/dbraw/zinc/51/35/76/599513576.db2.gz VBDQLMUFDWWRTN-GFCCVEGCSA-N -1 3 390.403 3.021 20 0 GGADHM COc1ccccc1-c1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000821877769 599513577 /nfs/dbraw/zinc/51/35/77/599513577.db2.gz VBDQLMUFDWWRTN-GFCCVEGCSA-N -1 3 390.403 3.021 20 0 GGADHM CCOc1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821427553 599517733 /nfs/dbraw/zinc/51/77/33/599517733.db2.gz VEEYEQRUWYOXAU-CYBMUJFWSA-N -1 3 383.477 3.235 20 0 GGADHM CCOc1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821427553 599517735 /nfs/dbraw/zinc/51/77/35/599517735.db2.gz VEEYEQRUWYOXAU-CYBMUJFWSA-N -1 3 383.477 3.235 20 0 GGADHM C[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403428 599519421 /nfs/dbraw/zinc/51/94/21/599519421.db2.gz KASAETQLUXWXRY-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403428 599519422 /nfs/dbraw/zinc/51/94/22/599519422.db2.gz KASAETQLUXWXRY-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137430 599519841 /nfs/dbraw/zinc/51/98/41/599519841.db2.gz KQJSNRGIAUPSOJ-CYBMUJFWSA-N -1 3 386.419 3.082 20 0 GGADHM C[C@@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137430 599519845 /nfs/dbraw/zinc/51/98/45/599519845.db2.gz KQJSNRGIAUPSOJ-CYBMUJFWSA-N -1 3 386.419 3.082 20 0 GGADHM Cc1ccc(-c2nc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000822214214 599520200 /nfs/dbraw/zinc/52/02/00/599520200.db2.gz UUJJVDGBWIUDIW-LLVKDONJSA-N -1 3 380.433 3.383 20 0 GGADHM Cc1ccc(-c2nc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000822214214 599520201 /nfs/dbraw/zinc/52/02/01/599520201.db2.gz UUJJVDGBWIUDIW-LLVKDONJSA-N -1 3 380.433 3.383 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822210426 599520519 /nfs/dbraw/zinc/52/05/19/599520519.db2.gz AQQFYQFMBMPTLG-OLZOCXBDSA-N -1 3 385.855 3.473 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822210426 599520521 /nfs/dbraw/zinc/52/05/21/599520521.db2.gz AQQFYQFMBMPTLG-OLZOCXBDSA-N -1 3 385.855 3.473 20 0 GGADHM COC(=O)c1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000736947507 599521293 /nfs/dbraw/zinc/52/12/93/599521293.db2.gz MUGVAKSNQZBQHU-UHFFFAOYSA-N -1 3 391.353 3.309 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC1CCN(c2ccccn2)CC1 ZINC000737627280 599521315 /nfs/dbraw/zinc/52/13/15/599521315.db2.gz OLZXDYOPMRIVSJ-UHFFFAOYSA-N -1 3 389.385 3.361 20 0 GGADHM C[C@@H](NC(=O)c1cccn1Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397693 599521859 /nfs/dbraw/zinc/52/18/59/599521859.db2.gz QYZAZERTPCLZOQ-CYBMUJFWSA-N -1 3 378.461 3.269 20 0 GGADHM C[C@@H](NC(=O)c1cccn1Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397693 599521863 /nfs/dbraw/zinc/52/18/63/599521863.db2.gz QYZAZERTPCLZOQ-CYBMUJFWSA-N -1 3 378.461 3.269 20 0 GGADHM Cc1csc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CCO2)n1 ZINC000737455854 599522890 /nfs/dbraw/zinc/52/28/90/599522890.db2.gz YUEHGTSTXFKMIY-ZDUSSCGKSA-N -1 3 396.398 3.228 20 0 GGADHM O=C(CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)NCc1ccccc1 ZINC000737848165 599523220 /nfs/dbraw/zinc/52/32/20/599523220.db2.gz OWMOUPFCNWBHKJ-UHFFFAOYSA-N -1 3 390.369 3.004 20 0 GGADHM CCOc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821427044 599524511 /nfs/dbraw/zinc/52/45/11/599524511.db2.gz MPSNWVSDIKIKNA-OAHLLOKOSA-N -1 3 395.463 3.302 20 0 GGADHM CCOc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821427044 599524512 /nfs/dbraw/zinc/52/45/12/599524512.db2.gz MPSNWVSDIKIKNA-OAHLLOKOSA-N -1 3 395.463 3.302 20 0 GGADHM CCCC(O)(CCC)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736436119 599530458 /nfs/dbraw/zinc/53/04/58/599530458.db2.gz ORHLGONPPFTOOY-UHFFFAOYSA-N -1 3 376.411 3.436 20 0 GGADHM CCCC(O)(CCC)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736436119 599530460 /nfs/dbraw/zinc/53/04/60/599530460.db2.gz ORHLGONPPFTOOY-UHFFFAOYSA-N -1 3 376.411 3.436 20 0 GGADHM Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c12 ZINC000822530432 599535385 /nfs/dbraw/zinc/53/53/85/599535385.db2.gz BCWHWAPBUFIZBU-JTQLQIEISA-N -1 3 389.419 3.080 20 0 GGADHM Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c12 ZINC000822530432 599535388 /nfs/dbraw/zinc/53/53/88/599535388.db2.gz BCWHWAPBUFIZBU-JTQLQIEISA-N -1 3 389.419 3.080 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)c2cccs2)c(-c2nnn[n-]2)c1C ZINC000736604970 599539537 /nfs/dbraw/zinc/53/95/37/599539537.db2.gz BDEFZXBFXHGDIF-MRVPVSSYSA-N -1 3 391.478 3.217 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)c2cccs2)c(-c2nn[n-]n2)c1C ZINC000736604970 599539538 /nfs/dbraw/zinc/53/95/38/599539538.db2.gz BDEFZXBFXHGDIF-MRVPVSSYSA-N -1 3 391.478 3.217 20 0 GGADHM Cc1cnn([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4c(C)cc(F)cc43)C2)c1 ZINC000822402761 599539691 /nfs/dbraw/zinc/53/96/91/599539691.db2.gz FKWGBLDNXZRQEC-HNNXBMFYSA-N -1 3 392.442 3.209 20 0 GGADHM Cc1cnn([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4c(C)cc(F)cc43)C2)c1 ZINC000822402761 599539693 /nfs/dbraw/zinc/53/96/93/599539693.db2.gz FKWGBLDNXZRQEC-HNNXBMFYSA-N -1 3 392.442 3.209 20 0 GGADHM C[C@@H](NC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397966 599539754 /nfs/dbraw/zinc/53/97/54/599539754.db2.gz XZMACJNFYLWKKW-SECBINFHSA-N -1 3 383.362 3.172 20 0 GGADHM Cc1cnn([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)C2)c1 ZINC000822403643 599539803 /nfs/dbraw/zinc/53/98/03/599539803.db2.gz RJRSOSDSAZWNIU-ZDUSSCGKSA-N -1 3 377.374 3.232 20 0 GGADHM O=C(Cc1csc(-c2ccoc2)n1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737978624 599540039 /nfs/dbraw/zinc/54/00/39/599540039.db2.gz VLEBAHIKCRIFPM-UHFFFAOYSA-N -1 3 398.473 3.315 20 0 GGADHM O=C(Cc1csc(-c2ccoc2)n1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737978624 599540042 /nfs/dbraw/zinc/54/00/42/599540042.db2.gz VLEBAHIKCRIFPM-UHFFFAOYSA-N -1 3 398.473 3.315 20 0 GGADHM Cc1cnn([C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4c(F)ccc(F)c43)C2)c1 ZINC000822402514 599540382 /nfs/dbraw/zinc/54/03/82/599540382.db2.gz CEMYOJICMJVHIL-GFCCVEGCSA-N -1 3 396.405 3.040 20 0 GGADHM Cc1cnn([C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4c(F)ccc(F)c43)C2)c1 ZINC000822402514 599540383 /nfs/dbraw/zinc/54/03/83/599540383.db2.gz CEMYOJICMJVHIL-GFCCVEGCSA-N -1 3 396.405 3.040 20 0 GGADHM Brc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000819688946 599540734 /nfs/dbraw/zinc/54/07/34/599540734.db2.gz RGQCRLNZKBIBNP-UHFFFAOYSA-N -1 3 381.237 3.211 20 0 GGADHM Brc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000819688946 599540735 /nfs/dbraw/zinc/54/07/35/599540735.db2.gz RGQCRLNZKBIBNP-UHFFFAOYSA-N -1 3 381.237 3.211 20 0 GGADHM C[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113188 599542327 /nfs/dbraw/zinc/54/23/27/599542327.db2.gz XXCIIQCAMHBEEX-NSHDSACASA-N -1 3 380.433 3.003 20 0 GGADHM C[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113188 599542329 /nfs/dbraw/zinc/54/23/29/599542329.db2.gz XXCIIQCAMHBEEX-NSHDSACASA-N -1 3 380.433 3.003 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821889685 599542862 /nfs/dbraw/zinc/54/28/62/599542862.db2.gz DOBKVAZKOFQZKK-CQSZACIVSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821889685 599542864 /nfs/dbraw/zinc/54/28/64/599542864.db2.gz DOBKVAZKOFQZKK-CQSZACIVSA-N -1 3 379.464 3.321 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819933095 599543792 /nfs/dbraw/zinc/54/37/92/599543792.db2.gz FPQKSQAJPSFJRE-NSHDSACASA-N -1 3 378.864 3.332 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819933095 599543794 /nfs/dbraw/zinc/54/37/94/599543794.db2.gz FPQKSQAJPSFJRE-NSHDSACASA-N -1 3 378.864 3.332 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000735977801 599543961 /nfs/dbraw/zinc/54/39/61/599543961.db2.gz VZMOMXQWWCLPMA-JTQLQIEISA-N -1 3 376.342 3.413 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000735977801 599543963 /nfs/dbraw/zinc/54/39/63/599543963.db2.gz VZMOMXQWWCLPMA-JTQLQIEISA-N -1 3 376.342 3.413 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737548252 599545183 /nfs/dbraw/zinc/54/51/83/599545183.db2.gz PDOOXEXZAUQKBI-UHFFFAOYSA-N -1 3 378.367 3.246 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737548252 599545185 /nfs/dbraw/zinc/54/51/85/599545185.db2.gz PDOOXEXZAUQKBI-UHFFFAOYSA-N -1 3 378.367 3.246 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2csc(-c3ccoc3)n2)s1 ZINC000736679662 599545344 /nfs/dbraw/zinc/54/53/44/599545344.db2.gz ZELSASKHBJRIHH-UHFFFAOYSA-N -1 3 386.462 3.388 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2csc(-c3ccoc3)n2)s1 ZINC000736679662 599545346 /nfs/dbraw/zinc/54/53/46/599545346.db2.gz ZELSASKHBJRIHH-UHFFFAOYSA-N -1 3 386.462 3.388 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000736170922 599546191 /nfs/dbraw/zinc/54/61/91/599546191.db2.gz SUFKLQJRXZUWBU-QKYXUNIQSA-N -1 3 391.475 3.162 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737420094 599549003 /nfs/dbraw/zinc/54/90/03/599549003.db2.gz IEEGYWYQLVUXHQ-JFIYKMOQSA-N -1 3 391.475 3.347 20 0 GGADHM C[C@@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402038 599553358 /nfs/dbraw/zinc/55/33/58/599553358.db2.gz CADFQGMROOJONA-LLVKDONJSA-N -1 3 392.444 3.187 20 0 GGADHM C[C@@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402038 599553360 /nfs/dbraw/zinc/55/33/60/599553360.db2.gz CADFQGMROOJONA-LLVKDONJSA-N -1 3 392.444 3.187 20 0 GGADHM Cc1cccc(O[C@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000822327649 599554221 /nfs/dbraw/zinc/55/42/21/599554221.db2.gz IPZAFNRMNVVEFT-CQSZACIVSA-N -1 3 397.483 3.321 20 0 GGADHM Cc1cccc(O[C@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000822327649 599554223 /nfs/dbraw/zinc/55/42/23/599554223.db2.gz IPZAFNRMNVVEFT-CQSZACIVSA-N -1 3 397.483 3.321 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ncc(-c2ccccc2)s1 ZINC000823238983 599555525 /nfs/dbraw/zinc/55/55/25/599555525.db2.gz VUIVLTMNHXOTJJ-UHFFFAOYSA-N -1 3 395.423 3.451 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ncc(-c2ccccc2)s1 ZINC000823238983 599555527 /nfs/dbraw/zinc/55/55/27/599555527.db2.gz VUIVLTMNHXOTJJ-UHFFFAOYSA-N -1 3 395.423 3.451 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820563128 599557507 /nfs/dbraw/zinc/55/75/07/599557507.db2.gz ONAPFESKWVDWHE-GFCCVEGCSA-N -1 3 379.399 3.249 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820563128 599557510 /nfs/dbraw/zinc/55/75/10/599557510.db2.gz ONAPFESKWVDWHE-GFCCVEGCSA-N -1 3 379.399 3.249 20 0 GGADHM Cc1ccc([C@H]2CCCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)o1 ZINC000737332924 599561361 /nfs/dbraw/zinc/56/13/61/599561361.db2.gz YDPRFSGCQDTMEP-MRXNPFEDSA-N -1 3 381.436 3.291 20 0 GGADHM Cc1ccc([C@H]2CCCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)o1 ZINC000737332924 599561363 /nfs/dbraw/zinc/56/13/63/599561363.db2.gz YDPRFSGCQDTMEP-MRXNPFEDSA-N -1 3 381.436 3.291 20 0 GGADHM O=C(NCCCOCC1CC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738074844 599562773 /nfs/dbraw/zinc/56/27/73/599562773.db2.gz GYJFLMBMYPOWRY-UHFFFAOYSA-N -1 3 392.463 3.157 20 0 GGADHM CC[C@H]1c2ccsc2CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821000470 599564147 /nfs/dbraw/zinc/56/41/47/599564147.db2.gz FLDLTJKNFZVBFQ-HNNXBMFYSA-N -1 3 393.476 3.488 20 0 GGADHM CC[C@H]1c2ccsc2CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821000470 599564149 /nfs/dbraw/zinc/56/41/49/599564149.db2.gz FLDLTJKNFZVBFQ-HNNXBMFYSA-N -1 3 393.476 3.488 20 0 GGADHM CCOCCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736609557 599564621 /nfs/dbraw/zinc/56/46/21/599564621.db2.gz CBSKRWITZVCFPU-UHFFFAOYSA-N -1 3 380.452 3.157 20 0 GGADHM Fc1cccc([C@H]2CCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822787090 599565065 /nfs/dbraw/zinc/56/50/65/599565065.db2.gz VERYWZYPEQOBKK-QGZVFWFLSA-N -1 3 391.410 3.393 20 0 GGADHM Fc1cccc([C@H]2CCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822787090 599565067 /nfs/dbraw/zinc/56/50/67/599565067.db2.gz VERYWZYPEQOBKK-QGZVFWFLSA-N -1 3 391.410 3.393 20 0 GGADHM Fc1cccc(CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)c1 ZINC000822787350 599565525 /nfs/dbraw/zinc/56/55/25/599565525.db2.gz ZIYHUKDBHRDVLH-UHFFFAOYSA-N -1 3 391.410 3.220 20 0 GGADHM Fc1cccc(CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CC2)c1 ZINC000822787350 599565532 /nfs/dbraw/zinc/56/55/32/599565532.db2.gz ZIYHUKDBHRDVLH-UHFFFAOYSA-N -1 3 391.410 3.220 20 0 GGADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(=O)c1ccc(OC)cc1 ZINC000825152572 607384230 /nfs/dbraw/zinc/38/42/30/607384230.db2.gz BWWHENVKYTYYDU-QGZVFWFLSA-N -1 3 380.404 3.002 20 0 GGADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(=O)c1ccc(OC)cc1 ZINC000825152572 607384232 /nfs/dbraw/zinc/38/42/32/607384232.db2.gz BWWHENVKYTYYDU-QGZVFWFLSA-N -1 3 380.404 3.002 20 0 GGADHM Fc1ccc(-n2ccc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)n2)cc1 ZINC000822761384 599568234 /nfs/dbraw/zinc/56/82/34/599568234.db2.gz LDIOYWKITFJHBC-UHFFFAOYSA-N -1 3 389.438 3.356 20 0 GGADHM Fc1ccc(-n2ccc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)n2)cc1 ZINC000822761384 599568237 /nfs/dbraw/zinc/56/82/37/599568237.db2.gz LDIOYWKITFJHBC-UHFFFAOYSA-N -1 3 389.438 3.356 20 0 GGADHM CCOCCN(CC)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736620584 599569891 /nfs/dbraw/zinc/56/98/91/599569891.db2.gz XNKGMXIVHAXDMY-UHFFFAOYSA-N -1 3 380.452 3.109 20 0 GGADHM OCC[C@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1ccccc1 ZINC000823712991 599570408 /nfs/dbraw/zinc/57/04/08/599570408.db2.gz AZTCIZUDTFQRQS-CQSZACIVSA-N -1 3 394.866 3.068 20 0 GGADHM OCC[C@H](CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1ccccc1 ZINC000823712991 599570410 /nfs/dbraw/zinc/57/04/10/599570410.db2.gz AZTCIZUDTFQRQS-CQSZACIVSA-N -1 3 394.866 3.068 20 0 GGADHM C[C@H]1c2c(F)cccc2CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820822367 599576020 /nfs/dbraw/zinc/57/60/20/599576020.db2.gz YTYVNQNBWNPOBV-LBPRGKRZSA-N -1 3 391.410 3.175 20 0 GGADHM C[C@H]1c2c(F)cccc2CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820822367 599576024 /nfs/dbraw/zinc/57/60/24/599576024.db2.gz YTYVNQNBWNPOBV-LBPRGKRZSA-N -1 3 391.410 3.175 20 0 GGADHM CC[C@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc2O1 ZINC000820995014 599580513 /nfs/dbraw/zinc/58/05/13/599580513.db2.gz MJMHRDVDWRQKAG-HNNXBMFYSA-N -1 3 389.419 3.094 20 0 GGADHM CC[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc2O1 ZINC000820995014 599580514 /nfs/dbraw/zinc/58/05/14/599580514.db2.gz MJMHRDVDWRQKAG-HNNXBMFYSA-N -1 3 389.419 3.094 20 0 GGADHM CCc1noc(COc2ccc(Oc3ncc(-c4nnn[n-]4)cc3Cl)cc2)n1 ZINC000821558935 599590275 /nfs/dbraw/zinc/59/02/75/599590275.db2.gz LMINCPHJCSAUAG-UHFFFAOYSA-N -1 3 399.798 3.232 20 0 GGADHM CCc1noc(COc2ccc(Oc3ncc(-c4nn[n-]n4)cc3Cl)cc2)n1 ZINC000821558935 599590278 /nfs/dbraw/zinc/59/02/78/599590278.db2.gz LMINCPHJCSAUAG-UHFFFAOYSA-N -1 3 399.798 3.232 20 0 GGADHM Cc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737332930 599594544 /nfs/dbraw/zinc/59/45/44/599594544.db2.gz YNGOVDVYSXWUNF-KRWDZBQOSA-N -1 3 380.452 3.324 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826230883 607385924 /nfs/dbraw/zinc/38/59/24/607385924.db2.gz NUEOCSCTBQRNFM-GFCCVEGCSA-N -1 3 397.460 3.081 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826230883 607385926 /nfs/dbraw/zinc/38/59/26/607385926.db2.gz NUEOCSCTBQRNFM-GFCCVEGCSA-N -1 3 397.460 3.081 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330964 599597657 /nfs/dbraw/zinc/59/76/57/599597657.db2.gz OJDXBVMUPLKECM-BEFAXECRSA-N -1 3 397.504 3.337 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737330964 599597659 /nfs/dbraw/zinc/59/76/59/599597659.db2.gz OJDXBVMUPLKECM-BEFAXECRSA-N -1 3 397.504 3.337 20 0 GGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737328772 599597907 /nfs/dbraw/zinc/59/79/07/599597907.db2.gz HMGZATSDSRAQHX-HNAYVOBHSA-N -1 3 397.504 3.337 20 0 GGADHM Cc1ccc([C@H]2[C@@H](C)CCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737328772 599597908 /nfs/dbraw/zinc/59/79/08/599597908.db2.gz HMGZATSDSRAQHX-HNAYVOBHSA-N -1 3 397.504 3.337 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000738266702 599601854 /nfs/dbraw/zinc/60/18/54/599601854.db2.gz JRUJWLZMMBFKDA-HNNXBMFYSA-N -1 3 394.410 3.133 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000738266702 599601855 /nfs/dbraw/zinc/60/18/55/599601855.db2.gz JRUJWLZMMBFKDA-HNNXBMFYSA-N -1 3 394.410 3.133 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(F)ccc2[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112354 599602240 /nfs/dbraw/zinc/60/22/40/599602240.db2.gz ILZDQNLLQJRMHW-OLZOCXBDSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(F)ccc2[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112354 599602241 /nfs/dbraw/zinc/60/22/41/599602241.db2.gz ILZDQNLLQJRMHW-OLZOCXBDSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(F)ccc2[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112353 599602361 /nfs/dbraw/zinc/60/23/61/599602361.db2.gz ILZDQNLLQJRMHW-CHWSQXEVSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(F)ccc2[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112353 599602363 /nfs/dbraw/zinc/60/23/63/599602363.db2.gz ILZDQNLLQJRMHW-CHWSQXEVSA-N -1 3 380.427 3.396 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000736820465 599602669 /nfs/dbraw/zinc/60/26/69/599602669.db2.gz MJHSSYSXORZFFP-UYAOXDASSA-N -1 3 390.491 3.420 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000736820465 599602671 /nfs/dbraw/zinc/60/26/71/599602671.db2.gz MJHSSYSXORZFFP-UYAOXDASSA-N -1 3 390.491 3.420 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000736814612 599603050 /nfs/dbraw/zinc/60/30/50/599603050.db2.gz REUAKKDUHCARNO-PMACEKPBSA-N -1 3 390.491 3.420 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000736814612 599603052 /nfs/dbraw/zinc/60/30/52/599603052.db2.gz REUAKKDUHCARNO-PMACEKPBSA-N -1 3 390.491 3.420 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736690846 599605570 /nfs/dbraw/zinc/60/55/70/599605570.db2.gz WGHWCNKOEGJRFR-GFCCVEGCSA-N -1 3 399.476 3.166 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736690846 599605571 /nfs/dbraw/zinc/60/55/71/599605571.db2.gz WGHWCNKOEGJRFR-GFCCVEGCSA-N -1 3 399.476 3.166 20 0 GGADHM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736389676 599608760 /nfs/dbraw/zinc/60/87/60/599608760.db2.gz CNPGEIKMEYXPBP-INIZCTEOSA-N -1 3 378.404 3.211 20 0 GGADHM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736389676 599608762 /nfs/dbraw/zinc/60/87/62/599608762.db2.gz CNPGEIKMEYXPBP-INIZCTEOSA-N -1 3 378.404 3.211 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737062370 599610131 /nfs/dbraw/zinc/61/01/31/599610131.db2.gz KAWCKUYFFFNLDT-WBVHZDCISA-N -1 3 392.463 3.408 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737062370 599610132 /nfs/dbraw/zinc/61/01/32/599610132.db2.gz KAWCKUYFFFNLDT-WBVHZDCISA-N -1 3 392.463 3.408 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737062368 599610561 /nfs/dbraw/zinc/61/05/61/599610561.db2.gz KAWCKUYFFFNLDT-NVXWUHKLSA-N -1 3 392.463 3.408 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737062368 599610562 /nfs/dbraw/zinc/61/05/62/599610562.db2.gz KAWCKUYFFFNLDT-NVXWUHKLSA-N -1 3 392.463 3.408 20 0 GGADHM CC(C)(NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000735671831 599612695 /nfs/dbraw/zinc/61/26/95/599612695.db2.gz MSTQNRUBQDHCJO-UHFFFAOYSA-N -1 3 388.834 3.394 20 0 GGADHM CC(C)(NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000735671831 599612697 /nfs/dbraw/zinc/61/26/97/599612697.db2.gz MSTQNRUBQDHCJO-UHFFFAOYSA-N -1 3 388.834 3.394 20 0 GGADHM Cc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737334316 599613315 /nfs/dbraw/zinc/61/33/15/599613315.db2.gz FIIYSDBQLOODLW-AWEZNQCLSA-N -1 3 382.443 3.087 20 0 GGADHM Cc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737334316 599613317 /nfs/dbraw/zinc/61/33/17/599613317.db2.gz FIIYSDBQLOODLW-AWEZNQCLSA-N -1 3 382.443 3.087 20 0 GGADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000736366354 599613400 /nfs/dbraw/zinc/61/34/00/599613400.db2.gz ZNNFLCJBRVNYIB-INIZCTEOSA-N -1 3 390.369 3.235 20 0 GGADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000736366354 599613401 /nfs/dbraw/zinc/61/34/01/599613401.db2.gz ZNNFLCJBRVNYIB-INIZCTEOSA-N -1 3 390.369 3.235 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821389747 599620737 /nfs/dbraw/zinc/62/07/37/599620737.db2.gz PPYGRBLOYFOWGO-VGSWGCGISA-N -1 3 390.443 3.465 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821389747 599620738 /nfs/dbraw/zinc/62/07/38/599620738.db2.gz PPYGRBLOYFOWGO-VGSWGCGISA-N -1 3 390.443 3.465 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000823032468 599623383 /nfs/dbraw/zinc/62/33/83/599623383.db2.gz VQYLGHUDNJSFMU-UHFFFAOYSA-N -1 3 379.203 3.296 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000823032468 599623384 /nfs/dbraw/zinc/62/33/84/599623384.db2.gz VQYLGHUDNJSFMU-UHFFFAOYSA-N -1 3 379.203 3.296 20 0 GGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823409425 599624186 /nfs/dbraw/zinc/62/41/86/599624186.db2.gz HFGZGBFVSJDIKP-DENIHFKCSA-N -1 3 390.443 3.083 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1SCCc2ccccc21 ZINC000821388936 599629479 /nfs/dbraw/zinc/62/94/79/599629479.db2.gz BPWAACLCNPTIIR-KRWDZBQOSA-N -1 3 382.445 3.201 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1SCCc2ccccc21 ZINC000821388936 599629480 /nfs/dbraw/zinc/62/94/80/599629480.db2.gz BPWAACLCNPTIIR-KRWDZBQOSA-N -1 3 382.445 3.201 20 0 GGADHM CCOc1c(F)cccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821390624 599629560 /nfs/dbraw/zinc/62/95/60/599629560.db2.gz ZVNBLAGSGHQRJO-UHFFFAOYSA-N -1 3 381.411 3.209 20 0 GGADHM CCOc1c(F)cccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821390624 599629561 /nfs/dbraw/zinc/62/95/61/599629561.db2.gz ZVNBLAGSGHQRJO-UHFFFAOYSA-N -1 3 381.411 3.209 20 0 GGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823387532 599629961 /nfs/dbraw/zinc/62/99/61/599629961.db2.gz OCLMEBVGJLAMDJ-UHFFFAOYSA-N -1 3 379.405 3.108 20 0 GGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823387532 599629962 /nfs/dbraw/zinc/62/99/62/599629962.db2.gz OCLMEBVGJLAMDJ-UHFFFAOYSA-N -1 3 379.405 3.108 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000821755278 599630687 /nfs/dbraw/zinc/63/06/87/599630687.db2.gz DECVSUPCPYXGJN-LPHOPBHVSA-N -1 3 393.447 3.290 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000821755278 599630688 /nfs/dbraw/zinc/63/06/88/599630688.db2.gz DECVSUPCPYXGJN-LPHOPBHVSA-N -1 3 393.447 3.290 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1COc2ccccc2C1 ZINC000823302901 599633024 /nfs/dbraw/zinc/63/30/24/599633024.db2.gz ACGWIDSSIDJTIO-LLVKDONJSA-N -1 3 389.337 3.075 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1COc2ccccc2C1 ZINC000823302901 599633025 /nfs/dbraw/zinc/63/30/25/599633025.db2.gz ACGWIDSSIDJTIO-LLVKDONJSA-N -1 3 389.337 3.075 20 0 GGADHM O=C(CCOc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822974487 599633101 /nfs/dbraw/zinc/63/31/01/599633101.db2.gz PGDJVHUWFYPYOQ-UHFFFAOYSA-N -1 3 377.326 3.293 20 0 GGADHM O=C(CCOc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822974487 599633102 /nfs/dbraw/zinc/63/31/02/599633102.db2.gz PGDJVHUWFYPYOQ-UHFFFAOYSA-N -1 3 377.326 3.293 20 0 GGADHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000820438384 599635254 /nfs/dbraw/zinc/63/52/54/599635254.db2.gz OISOJZZDCBPRBP-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000820438384 599635255 /nfs/dbraw/zinc/63/52/55/599635255.db2.gz OISOJZZDCBPRBP-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@]1(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCCc2ccccc21 ZINC000820623761 599638396 /nfs/dbraw/zinc/63/83/96/599638396.db2.gz XZMRGLJSZAROMU-NRFANRHFSA-N -1 3 387.447 3.258 20 0 GGADHM CCc1cccc2c1N(Cc1nnc(-c3ccc(-c4nnn[n-]4)cc3)o1)CCC2 ZINC000821492908 599638546 /nfs/dbraw/zinc/63/85/46/599638546.db2.gz ZCDVNDGQLKWLCY-UHFFFAOYSA-N -1 3 387.447 3.432 20 0 GGADHM CCc1cccc2c1N(Cc1nnc(-c3ccc(-c4nn[n-]n4)cc3)o1)CCC2 ZINC000821492908 599638547 /nfs/dbraw/zinc/63/85/47/599638547.db2.gz ZCDVNDGQLKWLCY-UHFFFAOYSA-N -1 3 387.447 3.432 20 0 GGADHM Cc1cccnc1[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000822369167 599638764 /nfs/dbraw/zinc/63/87/64/599638764.db2.gz CBNDYUSPZITAFC-QGZVFWFLSA-N -1 3 390.451 3.107 20 0 GGADHM Cc1cccnc1[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000822369167 599638765 /nfs/dbraw/zinc/63/87/65/599638765.db2.gz CBNDYUSPZITAFC-QGZVFWFLSA-N -1 3 390.451 3.107 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820656666 607386919 /nfs/dbraw/zinc/38/69/19/607386919.db2.gz GTPCHGGAZYWBJT-NEPJUHHUSA-N -1 3 392.891 3.402 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820656666 607386920 /nfs/dbraw/zinc/38/69/20/607386920.db2.gz GTPCHGGAZYWBJT-NEPJUHHUSA-N -1 3 392.891 3.402 20 0 GGADHM C[C@@H](CCOc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820248545 599647889 /nfs/dbraw/zinc/64/78/89/599647889.db2.gz JVHGPVBPUUKXIS-INIZCTEOSA-N -1 3 391.475 3.463 20 0 GGADHM C[C@@H](CCOc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820248545 599647890 /nfs/dbraw/zinc/64/78/90/599647890.db2.gz JVHGPVBPUUKXIS-INIZCTEOSA-N -1 3 391.475 3.463 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820248546 599647922 /nfs/dbraw/zinc/64/79/22/599647922.db2.gz JVHGPVBPUUKXIS-MRXNPFEDSA-N -1 3 391.475 3.463 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820248546 599647923 /nfs/dbraw/zinc/64/79/23/599647923.db2.gz JVHGPVBPUUKXIS-MRXNPFEDSA-N -1 3 391.475 3.463 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000821699324 599648023 /nfs/dbraw/zinc/64/80/23/599648023.db2.gz LMNMGFLDPYXRBJ-UHFFFAOYSA-N -1 3 377.404 3.203 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000821699324 599648024 /nfs/dbraw/zinc/64/80/24/599648024.db2.gz LMNMGFLDPYXRBJ-UHFFFAOYSA-N -1 3 377.404 3.203 20 0 GGADHM Cc1ccc(SCCOC(=O)COc2ccccc2-c2nnn[n-]2)cc1C ZINC000822270993 599649017 /nfs/dbraw/zinc/64/90/17/599649017.db2.gz HHPHOVPBPIHDFO-UHFFFAOYSA-N -1 3 384.461 3.198 20 0 GGADHM Cc1ccc(SCCOC(=O)COc2ccccc2-c2nn[n-]n2)cc1C ZINC000822270993 599649018 /nfs/dbraw/zinc/64/90/18/599649018.db2.gz HHPHOVPBPIHDFO-UHFFFAOYSA-N -1 3 384.461 3.198 20 0 GGADHM O=C(COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000823396474 599650819 /nfs/dbraw/zinc/65/08/19/599650819.db2.gz KAWXEYYZGJXYQD-UHFFFAOYSA-N -1 3 376.416 3.450 20 0 GGADHM O=C(COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000823396474 599650820 /nfs/dbraw/zinc/65/08/20/599650820.db2.gz KAWXEYYZGJXYQD-UHFFFAOYSA-N -1 3 376.416 3.450 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1ncc(-c2ccccc2F)o1 ZINC000822977891 599651498 /nfs/dbraw/zinc/65/14/98/599651498.db2.gz BCFKWSJCRCEUMY-UHFFFAOYSA-N -1 3 393.378 3.337 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1ncc(-c2ccccc2F)o1 ZINC000822977891 599651499 /nfs/dbraw/zinc/65/14/99/599651499.db2.gz BCFKWSJCRCEUMY-UHFFFAOYSA-N -1 3 393.378 3.337 20 0 GGADHM CO[C@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000821676571 599653867 /nfs/dbraw/zinc/65/38/67/599653867.db2.gz AVPVDOHJLYDZNL-GOSISDBHSA-N -1 3 380.452 3.011 20 0 GGADHM CC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1nc(C(F)(F)F)cs1 ZINC000820920817 599655145 /nfs/dbraw/zinc/65/51/45/599655145.db2.gz SUQQBKOCXKMTAF-ZETCQYMHSA-N -1 3 388.400 3.285 20 0 GGADHM CC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1nc(C(F)(F)F)cs1 ZINC000820920817 599655146 /nfs/dbraw/zinc/65/51/46/599655146.db2.gz SUQQBKOCXKMTAF-ZETCQYMHSA-N -1 3 388.400 3.285 20 0 GGADHM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820912992 599655232 /nfs/dbraw/zinc/65/52/32/599655232.db2.gz BJBLLDWHWBJJKL-LLVKDONJSA-N -1 3 396.398 3.152 20 0 GGADHM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820912992 599655233 /nfs/dbraw/zinc/65/52/33/599655233.db2.gz BJBLLDWHWBJJKL-LLVKDONJSA-N -1 3 396.398 3.152 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)C=Cc3ccccc3-c3nnn[n-]3)co2)cc1 ZINC000822214226 599655448 /nfs/dbraw/zinc/65/54/48/599655448.db2.gz VJGGSLZIBHHZOS-KHPPLWFESA-N -1 3 386.415 3.160 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)C=Cc3ccccc3-c3nn[n-]n3)co2)cc1 ZINC000822214226 599655449 /nfs/dbraw/zinc/65/54/49/599655449.db2.gz VJGGSLZIBHHZOS-KHPPLWFESA-N -1 3 386.415 3.160 20 0 GGADHM C[C@@H]1CCCC[C@H]1CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820697394 599658768 /nfs/dbraw/zinc/65/87/68/599658768.db2.gz GSFBXDSMTFMZHM-OLZOCXBDSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@@H]1CCCC[C@H]1CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820697394 599658769 /nfs/dbraw/zinc/65/87/69/599658769.db2.gz GSFBXDSMTFMZHM-OLZOCXBDSA-N -1 3 382.424 3.176 20 0 GGADHM O=C(OCc1ccccc1OCC(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000823431747 599659293 /nfs/dbraw/zinc/65/92/93/599659293.db2.gz VFILMTBSIWMHMI-UHFFFAOYSA-N -1 3 384.339 3.226 20 0 GGADHM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000820487485 599659981 /nfs/dbraw/zinc/65/99/81/599659981.db2.gz HHSKGSWHKDFQHI-SGTLLEGYSA-N -1 3 399.401 3.418 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cccc(Cl)n1 ZINC000822955485 599661196 /nfs/dbraw/zinc/66/11/96/599661196.db2.gz WYLBAWUVNBNYSD-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cccc(Cl)n1 ZINC000822955485 599661197 /nfs/dbraw/zinc/66/11/97/599661197.db2.gz WYLBAWUVNBNYSD-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM O=C(OCCOCC1CC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823404634 599661681 /nfs/dbraw/zinc/66/16/81/599661681.db2.gz CYCZHQSYNVGQHI-UHFFFAOYSA-N -1 3 394.431 3.029 20 0 GGADHM C[C@H](OC(=O)C(C)(C)Cc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820479673 599662143 /nfs/dbraw/zinc/66/21/43/599662143.db2.gz ARQMMPUIMAJRCW-AWEZNQCLSA-N -1 3 393.447 3.006 20 0 GGADHM C[C@H](OC(=O)C(C)(C)Cc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820479673 599662144 /nfs/dbraw/zinc/66/21/44/599662144.db2.gz ARQMMPUIMAJRCW-AWEZNQCLSA-N -1 3 393.447 3.006 20 0 GGADHM C[C@@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820690388 599663888 /nfs/dbraw/zinc/66/38/88/599663888.db2.gz LCHSNYAUIJQHBT-IJLUTSLNSA-N -1 3 391.859 3.217 20 0 GGADHM C[C@@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820690388 599663889 /nfs/dbraw/zinc/66/38/89/599663889.db2.gz LCHSNYAUIJQHBT-IJLUTSLNSA-N -1 3 391.859 3.217 20 0 GGADHM C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820481720 599665097 /nfs/dbraw/zinc/66/50/97/599665097.db2.gz ZCQSPXRQKFOWPU-NEPJUHHUSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820481720 599665098 /nfs/dbraw/zinc/66/50/98/599665098.db2.gz ZCQSPXRQKFOWPU-NEPJUHHUSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820226060 599667199 /nfs/dbraw/zinc/66/71/99/599667199.db2.gz SXQMJRWPSKACPN-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820226060 599667200 /nfs/dbraw/zinc/66/72/00/599667200.db2.gz SXQMJRWPSKACPN-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM CC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820919953 599668078 /nfs/dbraw/zinc/66/80/78/599668078.db2.gz IAHRSPVLNJQOAI-SFHVURJKSA-N -1 3 378.480 3.422 20 0 GGADHM CC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820919953 599668079 /nfs/dbraw/zinc/66/80/79/599668079.db2.gz IAHRSPVLNJQOAI-SFHVURJKSA-N -1 3 378.480 3.422 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000823031527 599671026 /nfs/dbraw/zinc/67/10/26/599671026.db2.gz CYFKBRLYCSPCPB-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000823031527 599671027 /nfs/dbraw/zinc/67/10/27/599671027.db2.gz CYFKBRLYCSPCPB-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820031575 599677189 /nfs/dbraw/zinc/67/71/89/599677189.db2.gz GDZPSVHMMUDUOC-LJQANCHMSA-N -1 3 394.479 3.284 20 0 GGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820020854 599680046 /nfs/dbraw/zinc/68/00/46/599680046.db2.gz LDWFGDCMHMPLJG-LJQANCHMSA-N -1 3 396.470 3.415 20 0 GGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820020854 599680047 /nfs/dbraw/zinc/68/00/47/599680047.db2.gz LDWFGDCMHMPLJG-LJQANCHMSA-N -1 3 396.470 3.415 20 0 GGADHM CCSCC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821457429 599680175 /nfs/dbraw/zinc/68/01/75/599680175.db2.gz WRBGUSQTNSABDW-AWEZNQCLSA-N -1 3 376.530 3.318 20 0 GGADHM CCSCC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821457429 599680176 /nfs/dbraw/zinc/68/01/76/599680176.db2.gz WRBGUSQTNSABDW-AWEZNQCLSA-N -1 3 376.530 3.318 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000820096675 599683506 /nfs/dbraw/zinc/68/35/06/599683506.db2.gz FEMQYUAEWQPSLS-CQSZACIVSA-N -1 3 397.483 3.148 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000820096675 599683507 /nfs/dbraw/zinc/68/35/07/599683507.db2.gz FEMQYUAEWQPSLS-CQSZACIVSA-N -1 3 397.483 3.148 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CN(C)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096955 599683597 /nfs/dbraw/zinc/68/35/97/599683597.db2.gz IYPLPTGXMDYNHP-ZIAGYGMSSA-N -1 3 385.472 3.176 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CN(C)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096955 599683598 /nfs/dbraw/zinc/68/35/98/599683598.db2.gz IYPLPTGXMDYNHP-ZIAGYGMSSA-N -1 3 385.472 3.176 20 0 GGADHM CCCN(Cc1nc([C@H](C)OCC(C)C)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821104670 599683789 /nfs/dbraw/zinc/68/37/89/599683789.db2.gz MGBRJESMSDUSEW-HNNXBMFYSA-N -1 3 399.499 3.396 20 0 GGADHM CCCN(Cc1nc([C@H](C)OCC(C)C)no1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821104670 599683790 /nfs/dbraw/zinc/68/37/90/599683790.db2.gz MGBRJESMSDUSEW-HNNXBMFYSA-N -1 3 399.499 3.396 20 0 GGADHM O=C(OC[C@@H]1CCCS1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823400994 599685045 /nfs/dbraw/zinc/68/50/45/599685045.db2.gz NGIJANJZOIJWQD-HNNXBMFYSA-N -1 3 386.433 3.091 20 0 GGADHM O=C(OC[C@@H]1CCCS1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823400994 599685046 /nfs/dbraw/zinc/68/50/46/599685046.db2.gz NGIJANJZOIJWQD-HNNXBMFYSA-N -1 3 386.433 3.091 20 0 GGADHM O=C(OC[C@H]1CCCS1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823400995 599685051 /nfs/dbraw/zinc/68/50/51/599685051.db2.gz NGIJANJZOIJWQD-OAHLLOKOSA-N -1 3 386.433 3.091 20 0 GGADHM O=C(OC[C@H]1CCCS1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823400995 599685052 /nfs/dbraw/zinc/68/50/52/599685052.db2.gz NGIJANJZOIJWQD-OAHLLOKOSA-N -1 3 386.433 3.091 20 0 GGADHM CCN(CC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)OC(C)(C)C ZINC000821197490 599687033 /nfs/dbraw/zinc/68/70/33/599687033.db2.gz LSIUQTUJGMGKDF-UHFFFAOYSA-N -1 3 386.500 3.340 20 0 GGADHM CCC(CC)(CCO)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000820887466 599688986 /nfs/dbraw/zinc/68/89/86/599688986.db2.gz DQXAMWQEUIJGRH-UHFFFAOYSA-N -1 3 392.866 3.230 20 0 GGADHM CCC(CC)(CCO)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000820887466 599688987 /nfs/dbraw/zinc/68/89/87/599688987.db2.gz DQXAMWQEUIJGRH-UHFFFAOYSA-N -1 3 392.866 3.230 20 0 GGADHM COc1ccc(-c2cnc(CNc3cc(-c4nnn[n-]4)ccc3OC)o2)cc1 ZINC000821733022 599691600 /nfs/dbraw/zinc/69/16/00/599691600.db2.gz YAYUANHPFCOQRA-UHFFFAOYSA-N -1 3 378.392 3.151 20 0 GGADHM COc1ccc(-c2cnc(CNc3cc(-c4nn[n-]n4)ccc3OC)o2)cc1 ZINC000821733022 599691601 /nfs/dbraw/zinc/69/16/01/599691601.db2.gz YAYUANHPFCOQRA-UHFFFAOYSA-N -1 3 378.392 3.151 20 0 GGADHM CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCOCC1 ZINC000820962487 599693383 /nfs/dbraw/zinc/69/33/83/599693383.db2.gz SOXMYGYKENEZGR-UHFFFAOYSA-N -1 3 398.389 3.214 20 0 GGADHM CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCOCC1 ZINC000820962487 599693384 /nfs/dbraw/zinc/69/33/84/599693384.db2.gz SOXMYGYKENEZGR-UHFFFAOYSA-N -1 3 398.389 3.214 20 0 GGADHM Cc1c(F)cccc1NC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822034826 599693504 /nfs/dbraw/zinc/69/35/04/599693504.db2.gz MHONPNRPFOAZEP-UHFFFAOYSA-N -1 3 395.442 3.058 20 0 GGADHM Cc1c(F)cccc1NC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822034826 599693505 /nfs/dbraw/zinc/69/35/05/599693505.db2.gz MHONPNRPFOAZEP-UHFFFAOYSA-N -1 3 395.442 3.058 20 0 GGADHM CO[C@]1(C)C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1(C)C ZINC000821678777 599693682 /nfs/dbraw/zinc/69/36/82/599693682.db2.gz SCAQLCJCKNDEFD-BLLLJJGKSA-N -1 3 398.389 3.211 20 0 GGADHM CO[C@]1(C)C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1(C)C ZINC000821678777 599693683 /nfs/dbraw/zinc/69/36/83/599693683.db2.gz SCAQLCJCKNDEFD-BLLLJJGKSA-N -1 3 398.389 3.211 20 0 GGADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1cccnc1 ZINC000819877688 599697236 /nfs/dbraw/zinc/69/72/36/599697236.db2.gz ZXUMOSHTZWEWSZ-GFCCVEGCSA-N -1 3 391.460 3.051 20 0 GGADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1cccnc1 ZINC000819877688 599697237 /nfs/dbraw/zinc/69/72/37/599697237.db2.gz ZXUMOSHTZWEWSZ-GFCCVEGCSA-N -1 3 391.460 3.051 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3ccccc3NC(=O)[O-])c(C)c2)CC1 ZINC000737122016 599706320 /nfs/dbraw/zinc/70/63/20/599706320.db2.gz GGDCBCNSFPEGRB-UHFFFAOYSA-N -1 3 382.464 3.479 20 0 GGADHM CCCC[C@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000736980397 599706782 /nfs/dbraw/zinc/70/67/82/599706782.db2.gz UIBCMXQOYBJDGL-FUHWJXTLSA-N -1 3 386.496 3.367 20 0 GGADHM Cc1ccc(C(=O)NC2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)s1 ZINC000738514992 599714625 /nfs/dbraw/zinc/71/46/25/599714625.db2.gz MIGDXUWNNUQCPU-KRWDZBQOSA-N -1 3 376.453 3.216 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C(=O)Nc1ccccc1F)C(C)C ZINC000826251117 607389796 /nfs/dbraw/zinc/38/97/96/607389796.db2.gz FPYYZZJIIPBXDQ-QGZVFWFLSA-N -1 3 397.410 3.134 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C(=O)Nc1ccccc1F)C(C)C ZINC000826251117 607389798 /nfs/dbraw/zinc/38/97/98/607389798.db2.gz FPYYZZJIIPBXDQ-QGZVFWFLSA-N -1 3 397.410 3.134 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)C(C)(C)NC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000737086090 599740978 /nfs/dbraw/zinc/74/09/78/599740978.db2.gz USRNWOWUFBYPTL-AWEZNQCLSA-N -1 3 389.418 3.251 20 0 GGADHM CCCCn1ncc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821083460 607391882 /nfs/dbraw/zinc/39/18/82/607391882.db2.gz ZLLDRSRRJASZKK-AWEZNQCLSA-N -1 3 381.484 3.395 20 0 GGADHM CCCCn1ncc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821083460 607391884 /nfs/dbraw/zinc/39/18/84/607391884.db2.gz ZLLDRSRRJASZKK-AWEZNQCLSA-N -1 3 381.484 3.395 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2)CC1 ZINC000736474281 599771865 /nfs/dbraw/zinc/77/18/65/599771865.db2.gz LHYBAWMNLAIIAO-UHFFFAOYSA-N -1 3 395.503 3.487 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)cc(Br)c1OC ZINC000390884397 599786841 /nfs/dbraw/zinc/78/68/41/599786841.db2.gz WBMFUBJDNJDJGO-HNNXBMFYSA-N -1 3 380.238 3.382 20 0 GGADHM CCCCn1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C ZINC000821082520 607398939 /nfs/dbraw/zinc/39/89/39/607398939.db2.gz MDFYOBQIBCFPEC-UHFFFAOYSA-N -1 3 383.456 3.211 20 0 GGADHM CCCCn1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C ZINC000821082520 607398941 /nfs/dbraw/zinc/39/89/41/607398941.db2.gz MDFYOBQIBCFPEC-UHFFFAOYSA-N -1 3 383.456 3.211 20 0 GGADHM Cc1c(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822107846 607395397 /nfs/dbraw/zinc/39/53/97/607395397.db2.gz DYPSJDGWNDSUTF-UHFFFAOYSA-N -1 3 399.842 3.174 20 0 GGADHM Cc1c(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822107846 607395400 /nfs/dbraw/zinc/39/54/00/607395400.db2.gz DYPSJDGWNDSUTF-UHFFFAOYSA-N -1 3 399.842 3.174 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737369463 599823936 /nfs/dbraw/zinc/82/39/36/599823936.db2.gz JAKBOYCHHAHWES-UHFFFAOYSA-N -1 3 387.455 3.439 20 0 GGADHM COCCn1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c2ccccc21 ZINC000826164054 607405715 /nfs/dbraw/zinc/40/57/15/607405715.db2.gz XEGZCUQVIXMRMR-UHFFFAOYSA-N -1 3 391.431 3.133 20 0 GGADHM COCCn1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c2ccccc21 ZINC000826164054 607405717 /nfs/dbraw/zinc/40/57/17/607405717.db2.gz XEGZCUQVIXMRMR-UHFFFAOYSA-N -1 3 391.431 3.133 20 0 GGADHM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736586574 599855925 /nfs/dbraw/zinc/85/59/25/599855925.db2.gz NZPKXPPZLRYGND-KRWDZBQOSA-N -1 3 386.467 3.247 20 0 GGADHM COc1ccc([C@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])cc1 ZINC000737969888 599860120 /nfs/dbraw/zinc/86/01/20/599860120.db2.gz MDFJVBCWMMNSQM-FQEVSTJZSA-N -1 3 394.427 3.134 20 0 GGADHM COc1ccc([C@@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])cc1 ZINC000737974193 599860568 /nfs/dbraw/zinc/86/05/68/599860568.db2.gz TUUUYKOEDQEVLR-OAHLLOKOSA-N -1 3 394.221 3.102 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1-c1nnn[n-]1 ZINC000820174822 607402428 /nfs/dbraw/zinc/40/24/28/607402428.db2.gz YPTCOBMMPKSONA-UHFFFAOYSA-N -1 3 389.419 3.092 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1-c1nn[n-]n1 ZINC000820174822 607402430 /nfs/dbraw/zinc/40/24/30/607402430.db2.gz YPTCOBMMPKSONA-UHFFFAOYSA-N -1 3 389.419 3.092 20 0 GGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1 ZINC000820898335 607402733 /nfs/dbraw/zinc/40/27/33/607402733.db2.gz ZMOCURAFXBSZJY-UHFFFAOYSA-N -1 3 383.456 3.464 20 0 GGADHM CCC(CC)n1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1 ZINC000820898335 607402735 /nfs/dbraw/zinc/40/27/35/607402735.db2.gz ZMOCURAFXBSZJY-UHFFFAOYSA-N -1 3 383.456 3.464 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1-c1nnn[n-]1 ZINC000820169168 607403390 /nfs/dbraw/zinc/40/33/90/607403390.db2.gz GXYWXUKLVFGZGN-UHFFFAOYSA-N -1 3 392.341 3.320 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1-c1nn[n-]n1 ZINC000820169168 607403392 /nfs/dbraw/zinc/40/33/92/607403392.db2.gz GXYWXUKLVFGZGN-UHFFFAOYSA-N -1 3 392.341 3.320 20 0 GGADHM O=C([O-])c1ccc(OC[C@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000740164666 599876028 /nfs/dbraw/zinc/87/60/28/599876028.db2.gz FEMVOOXXJHPTDL-MRXNPFEDSA-N -1 3 395.377 3.422 20 0 GGADHM O=C([O-])c1cccc(OCCN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000740231352 599889355 /nfs/dbraw/zinc/88/93/55/599889355.db2.gz MPQMQHRLROBIFI-UHFFFAOYSA-N -1 3 394.431 3.088 20 0 GGADHM Cc1noc2nc(C)cc(C(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)c12 ZINC000822176546 607404577 /nfs/dbraw/zinc/40/45/77/607404577.db2.gz KTLZNEDLXNWQIJ-UHFFFAOYSA-N -1 3 393.407 3.059 20 0 GGADHM Cc1noc2nc(C)cc(C(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)c12 ZINC000822176546 607404579 /nfs/dbraw/zinc/40/45/79/607404579.db2.gz KTLZNEDLXNWQIJ-UHFFFAOYSA-N -1 3 393.407 3.059 20 0 GGADHM CCOc1ccc(SCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825643369 607404629 /nfs/dbraw/zinc/40/46/29/607404629.db2.gz NCLHCOVFLSWSSZ-UHFFFAOYSA-N -1 3 384.461 3.409 20 0 GGADHM CCOc1ccc(SCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825643369 607404631 /nfs/dbraw/zinc/40/46/31/607404631.db2.gz NCLHCOVFLSWSSZ-UHFFFAOYSA-N -1 3 384.461 3.409 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1nc2ccccc2o1 ZINC000826254097 607405216 /nfs/dbraw/zinc/40/52/16/607405216.db2.gz UJGSAASIRCVYCW-UHFFFAOYSA-N -1 3 381.417 3.152 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1nc2ccccc2o1 ZINC000826254097 607405218 /nfs/dbraw/zinc/40/52/18/607405218.db2.gz UJGSAASIRCVYCW-UHFFFAOYSA-N -1 3 381.417 3.152 20 0 GGADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822329125 607405488 /nfs/dbraw/zinc/40/54/88/607405488.db2.gz YVAGLZBTBALDLU-CVEARBPZSA-N -1 3 383.477 3.357 20 0 GGADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822329125 607405489 /nfs/dbraw/zinc/40/54/89/607405489.db2.gz YVAGLZBTBALDLU-CVEARBPZSA-N -1 3 383.477 3.357 20 0 GGADHM CC(C)Oc1ccc(NC(=O)CCc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000820160374 607406176 /nfs/dbraw/zinc/40/61/76/607406176.db2.gz IKYNKPQEIXMSFR-UHFFFAOYSA-N -1 3 394.479 3.291 20 0 GGADHM CC(C)Oc1ccc(NC(=O)CCc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000820160374 607406178 /nfs/dbraw/zinc/40/61/78/607406178.db2.gz IKYNKPQEIXMSFR-UHFFFAOYSA-N -1 3 394.479 3.291 20 0 GGADHM Cc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1C(=O)[O-] ZINC000236614220 599914065 /nfs/dbraw/zinc/91/40/65/599914065.db2.gz XOXYAJMMVCGWQL-UHFFFAOYSA-N -1 3 381.476 3.476 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1coc(-c2cccs2)n1 ZINC000826253850 607406693 /nfs/dbraw/zinc/40/66/93/607406693.db2.gz HRRSBVWGNVQBQT-UHFFFAOYSA-N -1 3 381.417 3.178 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1coc(-c2cccs2)n1 ZINC000826253850 607406694 /nfs/dbraw/zinc/40/66/94/607406694.db2.gz HRRSBVWGNVQBQT-UHFFFAOYSA-N -1 3 381.417 3.178 20 0 GGADHM CCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737115069 599930448 /nfs/dbraw/zinc/93/04/48/599930448.db2.gz HSAOHXFRSZQBOJ-UHFFFAOYSA-N -1 3 382.464 3.166 20 0 GGADHM COc1ccc(SCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826211719 607407693 /nfs/dbraw/zinc/40/76/93/607407693.db2.gz RCQZOYJAKOSXFY-UHFFFAOYSA-N -1 3 384.461 3.409 20 0 GGADHM COc1ccc(SCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826211719 607407695 /nfs/dbraw/zinc/40/76/95/607407695.db2.gz RCQZOYJAKOSXFY-UHFFFAOYSA-N -1 3 384.461 3.409 20 0 GGADHM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000739867452 599952227 /nfs/dbraw/zinc/95/22/27/599952227.db2.gz GXTIGNYJZLLVRD-GOSISDBHSA-N -1 3 399.516 3.250 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CSc1ccccc1Cl ZINC000821740859 607408646 /nfs/dbraw/zinc/40/86/46/607408646.db2.gz DDWKQBSUPWCKGF-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CSc1ccccc1Cl ZINC000821740859 607408648 /nfs/dbraw/zinc/40/86/48/607408648.db2.gz DDWKQBSUPWCKGF-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3ccc(C(=O)[O-])cc3)c(C)c2)CC1 ZINC000737122415 599956538 /nfs/dbraw/zinc/95/65/38/599956538.db2.gz JMNJXOWAXKYYSA-UHFFFAOYSA-N -1 3 382.464 3.479 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000826253258 607409520 /nfs/dbraw/zinc/40/95/20/607409520.db2.gz KBRXURFQTGFTNM-UHFFFAOYSA-N -1 3 388.431 3.037 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000826253258 607409523 /nfs/dbraw/zinc/40/95/23/607409523.db2.gz KBRXURFQTGFTNM-UHFFFAOYSA-N -1 3 388.431 3.037 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000826254205 607410239 /nfs/dbraw/zinc/41/02/39/607410239.db2.gz ZQBQLPZKDUZUME-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000826254205 607410240 /nfs/dbraw/zinc/41/02/40/607410240.db2.gz ZQBQLPZKDUZUME-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000821745380 607411069 /nfs/dbraw/zinc/41/10/69/607411069.db2.gz SSPIBJKNPLDWDF-UHFFFAOYSA-N -1 3 378.310 3.251 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000821745380 607411070 /nfs/dbraw/zinc/41/10/70/607411070.db2.gz SSPIBJKNPLDWDF-UHFFFAOYSA-N -1 3 378.310 3.251 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCOc1ccc(C)c(C)c1 ZINC000821741274 607411867 /nfs/dbraw/zinc/41/18/67/607411867.db2.gz JXUDHUISWOGVAC-UHFFFAOYSA-N -1 3 382.420 3.004 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCOc1ccc(C)c(C)c1 ZINC000821741274 607411869 /nfs/dbraw/zinc/41/18/69/607411869.db2.gz JXUDHUISWOGVAC-UHFFFAOYSA-N -1 3 382.420 3.004 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1ccc2ccccc2n1 ZINC000821740907 607411907 /nfs/dbraw/zinc/41/19/07/607411907.db2.gz DOIOQCHZDBWNFG-UHFFFAOYSA-N -1 3 389.415 3.100 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1ccc2ccccc2n1 ZINC000821740907 607411908 /nfs/dbraw/zinc/41/19/08/607411908.db2.gz DOIOQCHZDBWNFG-UHFFFAOYSA-N -1 3 389.415 3.100 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000738708131 600008321 /nfs/dbraw/zinc/00/83/21/600008321.db2.gz HVCXQWNKKMPASR-UHFFFAOYSA-N -1 3 385.464 3.054 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(Cl)nc2ccccc21 ZINC000821745262 607412318 /nfs/dbraw/zinc/41/23/18/607412318.db2.gz MGXCRTKVZFBFGQ-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM CC1CCN([C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000263071435 600012599 /nfs/dbraw/zinc/01/25/99/600012599.db2.gz TVYCUZWGNNBAMV-JCYILVPMSA-N -1 3 393.553 3.464 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(OC)c1 ZINC000263023854 600013649 /nfs/dbraw/zinc/01/36/49/600013649.db2.gz OSYVSCOPQPOGDW-GXOAENINSA-N -1 3 391.512 3.021 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1nc(-c2ccco2)sc1C ZINC000821749492 607412733 /nfs/dbraw/zinc/41/27/33/607412733.db2.gz OXMJQTQPJBFGGG-UHFFFAOYSA-N -1 3 397.416 3.257 20 0 GGADHM Cc1cc(NC(=O)NCC2(N3CCSCC3)CCCC2)ccc1C(=O)[O-] ZINC000738439428 600016841 /nfs/dbraw/zinc/01/68/41/600016841.db2.gz ARYDUGIQPUNYPY-UHFFFAOYSA-N -1 3 377.510 3.176 20 0 GGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000740024842 600025978 /nfs/dbraw/zinc/02/59/78/600025978.db2.gz LXOZOITWYXWFJI-FQEVSTJZSA-N -1 3 381.476 3.490 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000738528577 600032127 /nfs/dbraw/zinc/03/21/27/600032127.db2.gz PVQPSIUSCCOFDN-UHFFFAOYSA-N -1 3 396.491 3.259 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000737123474 600035096 /nfs/dbraw/zinc/03/50/96/600035096.db2.gz VBHIUOJBFGCJFX-UHFFFAOYSA-N -1 3 381.476 3.098 20 0 GGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670992 600036248 /nfs/dbraw/zinc/03/62/48/600036248.db2.gz PEKUNUSJTGUSRG-FPOVZHCZSA-N -1 3 378.472 3.460 20 0 GGADHM CC[C@@H](C)N(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000736883899 600036956 /nfs/dbraw/zinc/03/69/56/600036956.db2.gz PMEUEBGPZUDYTG-UTKZUKDTSA-N -1 3 380.488 3.325 20 0 GGADHM CC[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000236954708 600038230 /nfs/dbraw/zinc/03/82/30/600038230.db2.gz RGCIUYUZTUICNO-NRFANRHFSA-N -1 3 380.488 3.271 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(-c2cccs2)on1 ZINC000826428030 607415350 /nfs/dbraw/zinc/41/53/50/607415350.db2.gz LVDXMLQGQXIEEU-UHFFFAOYSA-N -1 3 378.417 3.002 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(-c2cccs2)on1 ZINC000826428030 607415351 /nfs/dbraw/zinc/41/53/51/607415351.db2.gz LVDXMLQGQXIEEU-UHFFFAOYSA-N -1 3 378.417 3.002 20 0 GGADHM O=C([O-])c1ccc(CCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739256553 600042690 /nfs/dbraw/zinc/04/26/90/600042690.db2.gz NGZQAGCCYIIHHU-OAQYLSRUSA-N -1 3 380.488 3.488 20 0 GGADHM CCc1ccc([C@H](C)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737259424 600047411 /nfs/dbraw/zinc/04/74/11/600047411.db2.gz QPROUYUFMDWGGP-YCRPNKLZSA-N -1 3 393.487 3.193 20 0 GGADHM CCc1ccc([C@H](C)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737259418 600047534 /nfs/dbraw/zinc/04/75/34/600047534.db2.gz QPROUYUFMDWGGP-BTYIYWSLSA-N -1 3 393.487 3.193 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000738533254 600049204 /nfs/dbraw/zinc/04/92/04/600049204.db2.gz RRBKGVYJUQCNFD-NRFANRHFSA-N -1 3 398.459 3.390 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821736094 607416313 /nfs/dbraw/zinc/41/63/13/607416313.db2.gz AUQDFRTYEKKCCW-UHFFFAOYSA-N -1 3 396.447 3.196 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821736094 607416314 /nfs/dbraw/zinc/41/63/14/607416314.db2.gz AUQDFRTYEKKCCW-UHFFFAOYSA-N -1 3 396.447 3.196 20 0 GGADHM COc1cccc([C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N2CCCC2)c1 ZINC000738089912 600060288 /nfs/dbraw/zinc/06/02/88/600060288.db2.gz FHVPMMFFDAAREW-OAQYLSRUSA-N -1 3 396.487 3.279 20 0 GGADHM CCN1CCN(Cc2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000737116915 600062894 /nfs/dbraw/zinc/06/28/94/600062894.db2.gz RYGXQIMXSSOIAV-UHFFFAOYSA-N -1 3 395.503 3.094 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737370779 600065892 /nfs/dbraw/zinc/06/58/92/600065892.db2.gz TYQQQVKXIRPPER-UHFFFAOYSA-N -1 3 390.430 3.186 20 0 GGADHM O=C([O-])c1occc1CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739408157 600077616 /nfs/dbraw/zinc/07/76/16/600077616.db2.gz VXQLIDNTLDRNMM-ZDUSSCGKSA-N -1 3 375.400 3.151 20 0 GGADHM O=C([O-])c1ccoc1CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739407699 600077693 /nfs/dbraw/zinc/07/76/93/600077693.db2.gz SGZCHVKIHBVJHL-ZDUSSCGKSA-N -1 3 375.400 3.151 20 0 GGADHM COC(=O)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000737691956 600079427 /nfs/dbraw/zinc/07/94/27/600079427.db2.gz WDKDERWGYOVPQS-SFHVURJKSA-N -1 3 392.249 3.325 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000740079784 600086711 /nfs/dbraw/zinc/08/67/11/600086711.db2.gz ULHIOOYBHFBVGD-UHFFFAOYSA-N -1 3 388.414 3.191 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](CNc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738736415 600095287 /nfs/dbraw/zinc/09/52/87/600095287.db2.gz LHVPQSSFOHGXFP-HOTGVXAUSA-N -1 3 384.480 3.038 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H](CNc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738736416 600095298 /nfs/dbraw/zinc/09/52/98/600095298.db2.gz LHVPQSSFOHGXFP-HZPDHXFCSA-N -1 3 384.480 3.038 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826283684 607419601 /nfs/dbraw/zinc/41/96/01/607419601.db2.gz XLTNSORFCJRLOU-UHFFFAOYSA-N -1 3 391.475 3.483 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826283684 607419603 /nfs/dbraw/zinc/41/96/03/607419603.db2.gz XLTNSORFCJRLOU-UHFFFAOYSA-N -1 3 391.475 3.483 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826428226 607420076 /nfs/dbraw/zinc/42/00/76/607420076.db2.gz TWJPQRBQXIFVDC-ZIAGYGMSSA-N -1 3 381.386 3.054 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826428226 607420078 /nfs/dbraw/zinc/42/00/78/607420078.db2.gz TWJPQRBQXIFVDC-ZIAGYGMSSA-N -1 3 381.386 3.054 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826423147 607420100 /nfs/dbraw/zinc/42/01/00/607420100.db2.gz AJDITGYLUJINRK-UHFFFAOYSA-N -1 3 387.365 3.234 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826423147 607420102 /nfs/dbraw/zinc/42/01/02/607420102.db2.gz AJDITGYLUJINRK-UHFFFAOYSA-N -1 3 387.365 3.234 20 0 GGADHM C[C@@H](CSc1ccccc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824449947 607420752 /nfs/dbraw/zinc/42/07/52/607420752.db2.gz RBWQYZXEZHNGAI-AWEZNQCLSA-N -1 3 379.489 3.400 20 0 GGADHM C[C@@H](CSc1ccccc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824449947 607420753 /nfs/dbraw/zinc/42/07/53/607420753.db2.gz RBWQYZXEZHNGAI-AWEZNQCLSA-N -1 3 379.489 3.400 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000738526003 600125645 /nfs/dbraw/zinc/12/56/45/600125645.db2.gz NQMDEAZTCGLPNE-UHFFFAOYSA-N -1 3 381.476 3.234 20 0 GGADHM CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000463339527 600132554 /nfs/dbraw/zinc/13/25/54/600132554.db2.gz IXHWGNCXFHGHQY-NQIIRXRSSA-N -1 3 384.451 3.170 20 0 GGADHM CCC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(OC)cc1 ZINC000825028681 607425095 /nfs/dbraw/zinc/42/50/95/607425095.db2.gz JVMNCBZWDLDSLS-CCEZHUSRSA-N -1 3 389.459 3.474 20 0 GGADHM CCC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(OC)cc1 ZINC000825028681 607425096 /nfs/dbraw/zinc/42/50/96/607425096.db2.gz JVMNCBZWDLDSLS-CCEZHUSRSA-N -1 3 389.459 3.474 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCCOc2ccccc2)cc1-c1nnn[n-]1 ZINC000820170350 607426405 /nfs/dbraw/zinc/42/64/05/607426405.db2.gz XVSCBGHOGCOBAP-UHFFFAOYSA-N -1 3 396.451 3.245 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCCOc2ccccc2)cc1-c1nn[n-]n1 ZINC000820170350 607426407 /nfs/dbraw/zinc/42/64/07/607426407.db2.gz XVSCBGHOGCOBAP-UHFFFAOYSA-N -1 3 396.451 3.245 20 0 GGADHM CN(C(=O)[O-])c1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000737333715 600175498 /nfs/dbraw/zinc/17/54/98/600175498.db2.gz YSWXBMAHFDPOPI-UHFFFAOYSA-N -1 3 396.491 3.342 20 0 GGADHM CC1CCC(N2CCN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)CC2)CC1 ZINC000736768931 600180543 /nfs/dbraw/zinc/18/05/43/600180543.db2.gz PCQGYASKQZMIRU-UHFFFAOYSA-N -1 3 381.423 3.391 20 0 GGADHM O=C([O-])[C@H]1CN(C(=S)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000739615779 600189374 /nfs/dbraw/zinc/18/93/74/600189374.db2.gz NNEZRGDUGNFPOJ-IBGZPJMESA-N -1 3 395.528 3.214 20 0 GGADHM O=C([O-])c1cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)ccc1F ZINC000739232045 600192523 /nfs/dbraw/zinc/19/25/23/600192523.db2.gz HOTSFRPAKKXIEF-UHFFFAOYSA-N -1 3 385.439 3.065 20 0 GGADHM CC(C)COc1cccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000824272171 607421925 /nfs/dbraw/zinc/42/19/25/607421925.db2.gz VGRXKXQNFINBHL-UHFFFAOYSA-N -1 3 377.448 3.321 20 0 GGADHM CC(C)COc1cccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000824272171 607421928 /nfs/dbraw/zinc/42/19/28/607421928.db2.gz VGRXKXQNFINBHL-UHFFFAOYSA-N -1 3 377.448 3.321 20 0 GGADHM C[C@H](CC(=O)c1ccccc1F)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824390894 607422038 /nfs/dbraw/zinc/42/20/38/607422038.db2.gz FEYAYZWEEZAAPT-CYBMUJFWSA-N -1 3 393.422 3.020 20 0 GGADHM C[C@H](CC(=O)c1ccccc1F)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824390894 607422040 /nfs/dbraw/zinc/42/20/40/607422040.db2.gz FEYAYZWEEZAAPT-CYBMUJFWSA-N -1 3 393.422 3.020 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)cc1-c1nnn[n-]1 ZINC000820165953 607427304 /nfs/dbraw/zinc/42/73/04/607427304.db2.gz SSMJPSIQOTWFDS-ZDUSSCGKSA-N -1 3 381.440 3.274 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)cc1-c1nn[n-]n1 ZINC000820165953 607427305 /nfs/dbraw/zinc/42/73/05/607427305.db2.gz SSMJPSIQOTWFDS-ZDUSSCGKSA-N -1 3 381.440 3.274 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cncc(-c2ccccc2)c1 ZINC000826428055 607427571 /nfs/dbraw/zinc/42/75/71/607427571.db2.gz MZIMHKNUGPWJRK-UHFFFAOYSA-N -1 3 382.427 3.348 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cncc(-c2ccccc2)c1 ZINC000826428055 607427572 /nfs/dbraw/zinc/42/75/72/607427572.db2.gz MZIMHKNUGPWJRK-UHFFFAOYSA-N -1 3 382.427 3.348 20 0 GGADHM Cc1ccc(Br)c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826281141 607427724 /nfs/dbraw/zinc/42/77/24/607427724.db2.gz GNVFBGPVUJJQFD-UHFFFAOYSA-N -1 3 398.264 3.357 20 0 GGADHM Cc1ccc(Br)c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826281141 607427725 /nfs/dbraw/zinc/42/77/25/607427725.db2.gz GNVFBGPVUJJQFD-UHFFFAOYSA-N -1 3 398.264 3.357 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000820168834 607427937 /nfs/dbraw/zinc/42/79/37/607427937.db2.gz BWWYKNWIYPXDKV-UHFFFAOYSA-N -1 3 388.378 3.254 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000820168834 607427938 /nfs/dbraw/zinc/42/79/38/607427938.db2.gz BWWYKNWIYPXDKV-UHFFFAOYSA-N -1 3 388.378 3.254 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1-c1nnn[n-]1 ZINC000820164302 607428950 /nfs/dbraw/zinc/42/89/50/607428950.db2.gz HCSPSGQMTOYHQG-UHFFFAOYSA-N -1 3 393.451 3.245 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1-c1nn[n-]n1 ZINC000820164302 607428951 /nfs/dbraw/zinc/42/89/51/607428951.db2.gz HCSPSGQMTOYHQG-UHFFFAOYSA-N -1 3 393.451 3.245 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000736466439 600220486 /nfs/dbraw/zinc/22/04/86/600220486.db2.gz WQEUJTXMIINYSB-LJQANCHMSA-N -1 3 378.469 3.278 20 0 GGADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821462276 607430334 /nfs/dbraw/zinc/43/03/34/607430334.db2.gz YBAZPFBIZFUPTB-GFCCVEGCSA-N -1 3 378.502 3.307 20 0 GGADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821462276 607430336 /nfs/dbraw/zinc/43/03/36/607430336.db2.gz YBAZPFBIZFUPTB-GFCCVEGCSA-N -1 3 378.502 3.307 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl ZINC000826249518 607430952 /nfs/dbraw/zinc/43/09/52/607430952.db2.gz GSIMGYDUFUGBDC-UHFFFAOYSA-N -1 3 398.854 3.219 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl ZINC000826249518 607430953 /nfs/dbraw/zinc/43/09/53/607430953.db2.gz GSIMGYDUFUGBDC-UHFFFAOYSA-N -1 3 398.854 3.219 20 0 GGADHM C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000736213463 600241041 /nfs/dbraw/zinc/24/10/41/600241041.db2.gz DPTNCUXUAOQKFA-SFHVURJKSA-N -1 3 394.515 3.387 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCCNc2ccccc2)cc1-c1nnn[n-]1 ZINC000820169596 607431615 /nfs/dbraw/zinc/43/16/15/607431615.db2.gz KARJKRRYIITULF-UHFFFAOYSA-N -1 3 395.467 3.278 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCCNc2ccccc2)cc1-c1nn[n-]n1 ZINC000820169596 607431616 /nfs/dbraw/zinc/43/16/16/607431616.db2.gz KARJKRRYIITULF-UHFFFAOYSA-N -1 3 395.467 3.278 20 0 GGADHM O=C([O-])c1cccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)n1 ZINC000740212864 600260606 /nfs/dbraw/zinc/26/06/06/600260606.db2.gz UKYPQLGEPIWCRG-UHFFFAOYSA-N -1 3 387.867 3.171 20 0 GGADHM C[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000736203642 600266978 /nfs/dbraw/zinc/26/69/78/600266978.db2.gz DXVQGPPHRZKEEB-YLJYHZDGSA-N -1 3 384.520 3.043 20 0 GGADHM COCc1cccc(NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821695642 607433912 /nfs/dbraw/zinc/43/39/12/607433912.db2.gz BANYZNNAXXKSMX-UHFFFAOYSA-N -1 3 382.424 3.444 20 0 GGADHM COCc1cccc(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821695642 607433914 /nfs/dbraw/zinc/43/39/14/607433914.db2.gz BANYZNNAXXKSMX-UHFFFAOYSA-N -1 3 382.424 3.444 20 0 GGADHM COc1ccccc1CCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821889949 607433972 /nfs/dbraw/zinc/43/39/72/607433972.db2.gz HUKUALZYKIENLJ-UHFFFAOYSA-N -1 3 396.451 3.027 20 0 GGADHM COc1ccccc1CCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821889949 607433974 /nfs/dbraw/zinc/43/39/74/607433974.db2.gz HUKUALZYKIENLJ-UHFFFAOYSA-N -1 3 396.451 3.027 20 0 GGADHM CN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833924 607434012 /nfs/dbraw/zinc/43/40/12/607434012.db2.gz OHEPBCFDOCLQGE-UHFFFAOYSA-N -1 3 398.426 3.140 20 0 GGADHM CN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833924 607434014 /nfs/dbraw/zinc/43/40/14/607434014.db2.gz OHEPBCFDOCLQGE-UHFFFAOYSA-N -1 3 398.426 3.140 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604892 600280560 /nfs/dbraw/zinc/28/05/60/600280560.db2.gz PXZFWIXGLBRBHB-QFBILLFUSA-N -1 3 382.435 3.253 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)CC1 ZINC000736475368 600292510 /nfs/dbraw/zinc/29/25/10/600292510.db2.gz UBURHHZJKPVYLU-UHFFFAOYSA-N -1 3 396.491 3.237 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000739983406 600309467 /nfs/dbraw/zinc/30/94/67/600309467.db2.gz ATIUIWAPCDYSOA-QGZVFWFLSA-N -1 3 385.439 3.444 20 0 GGADHM COc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000737957015 600320795 /nfs/dbraw/zinc/32/07/95/600320795.db2.gz IHEWKOMYNNONBQ-IBGZPJMESA-N -1 3 383.448 3.352 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737369505 600340378 /nfs/dbraw/zinc/34/03/78/600340378.db2.gz KDNNGJGRYVGTGI-UHFFFAOYSA-N -1 3 398.507 3.435 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737084951 600344628 /nfs/dbraw/zinc/34/46/28/600344628.db2.gz GLOUWDHRLBOKET-HZPDHXFCSA-N -1 3 379.526 3.027 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737084948 600344728 /nfs/dbraw/zinc/34/47/28/600344728.db2.gz GLOUWDHRLBOKET-HOTGVXAUSA-N -1 3 379.526 3.027 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000736905012 600353377 /nfs/dbraw/zinc/35/33/77/600353377.db2.gz OKDQCRVNTICCFV-HXUWFJFHSA-N -1 3 396.491 3.413 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000739988999 600354014 /nfs/dbraw/zinc/35/40/14/600354014.db2.gz YCYUDVWGOBQGSF-MRXNPFEDSA-N -1 3 388.493 3.474 20 0 GGADHM CN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826065 607438426 /nfs/dbraw/zinc/43/84/26/607438426.db2.gz UXCDJPISHUNQHF-UHFFFAOYSA-N -1 3 376.395 3.288 20 0 GGADHM CN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825826065 607438427 /nfs/dbraw/zinc/43/84/27/607438427.db2.gz UXCDJPISHUNQHF-UHFFFAOYSA-N -1 3 376.395 3.288 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737370440 600358106 /nfs/dbraw/zinc/35/81/06/600358106.db2.gz QQRXCSOBXWYZSV-UHFFFAOYSA-N -1 3 388.443 3.189 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)c1C(=O)[O-] ZINC000738744695 600360962 /nfs/dbraw/zinc/36/09/62/600360962.db2.gz MYNXNRPSKWOVCM-UHFFFAOYSA-N -1 3 388.489 3.132 20 0 GGADHM CN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825633 607441967 /nfs/dbraw/zinc/44/19/67/607441967.db2.gz GFXGXAZOWGJVQP-UHFFFAOYSA-N -1 3 387.403 3.071 20 0 GGADHM CN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825633 607441968 /nfs/dbraw/zinc/44/19/68/607441968.db2.gz GFXGXAZOWGJVQP-UHFFFAOYSA-N -1 3 387.403 3.071 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N(C)C[C@H](C)C(=O)[O-] ZINC000736572726 600373175 /nfs/dbraw/zinc/37/31/75/600373175.db2.gz QBXHTNUNQXADJV-UONOGXRCSA-N -1 3 376.453 3.098 20 0 GGADHM C[C@H](CN(C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125825 600373675 /nfs/dbraw/zinc/37/36/75/600373675.db2.gz COZQVXMOKCKQFE-APWZRJJASA-N -1 3 393.487 3.069 20 0 GGADHM COc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)cc1C(=O)[O-] ZINC000738008470 600383694 /nfs/dbraw/zinc/38/36/94/600383694.db2.gz KRGOBEJXHDAFIS-UHFFFAOYSA-N -1 3 382.416 3.131 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000736905388 600394424 /nfs/dbraw/zinc/39/44/24/600394424.db2.gz QJOLRAWGLBPBHE-QGZVFWFLSA-N -1 3 385.439 3.482 20 0 GGADHM Cc1occc1C(=O)NC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000738984092 600405069 /nfs/dbraw/zinc/40/50/69/600405069.db2.gz DZJOGIJSLZJCTL-KRWDZBQOSA-N -1 3 376.840 3.262 20 0 GGADHM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1)N1CCCCCC1 ZINC000736212183 600405733 /nfs/dbraw/zinc/40/57/33/600405733.db2.gz QXOANKMFWFAEAH-BBRMVZONSA-N -1 3 397.313 3.346 20 0 GGADHM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736212563 600406930 /nfs/dbraw/zinc/40/69/30/600406930.db2.gz UYVFHICOGJJYPB-CJNGLKHVSA-N -1 3 397.313 3.346 20 0 GGADHM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736212564 600407081 /nfs/dbraw/zinc/40/70/81/600407081.db2.gz UYVFHICOGJJYPB-CZUORRHYSA-N -1 3 397.313 3.346 20 0 GGADHM CN(CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)Cc1ccccc1 ZINC000737442794 600408675 /nfs/dbraw/zinc/40/86/75/600408675.db2.gz KJCHLWTXGZHVLH-UHFFFAOYSA-N -1 3 393.390 3.240 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826340557 607442770 /nfs/dbraw/zinc/44/27/70/607442770.db2.gz CJTWOVRDXNXQAD-UHFFFAOYSA-N -1 3 380.433 3.097 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826340557 607442772 /nfs/dbraw/zinc/44/27/72/607442772.db2.gz CJTWOVRDXNXQAD-UHFFFAOYSA-N -1 3 380.433 3.097 20 0 GGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662249 600426156 /nfs/dbraw/zinc/42/61/56/600426156.db2.gz MTTDSJHWUCZQSP-PXAZEXFGSA-N -1 3 396.896 3.067 20 0 GGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662252 600426170 /nfs/dbraw/zinc/42/61/70/600426170.db2.gz MTTDSJHWUCZQSP-YVEFUNNKSA-N -1 3 396.896 3.067 20 0 GGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662251 600426370 /nfs/dbraw/zinc/42/63/70/600426370.db2.gz MTTDSJHWUCZQSP-SJKOYZFVSA-N -1 3 396.896 3.067 20 0 GGADHM CC[C@H](Oc1ccccc1C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825159180 607447063 /nfs/dbraw/zinc/44/70/63/607447063.db2.gz KUSJZWWKSHPLGT-KRWDZBQOSA-N -1 3 377.448 3.138 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(F)cc1 ZINC000739468126 600432692 /nfs/dbraw/zinc/43/26/92/600432692.db2.gz GOHCSQGOPIHPBO-LJQANCHMSA-N -1 3 379.391 3.389 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1 ZINC000738500243 600433613 /nfs/dbraw/zinc/43/36/13/600433613.db2.gz GKWFKTDAMMVWAJ-FQEVSTJZSA-N -1 3 390.443 3.319 20 0 GGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1 ZINC000738500245 600433820 /nfs/dbraw/zinc/43/38/20/600433820.db2.gz GKWFKTDAMMVWAJ-HXUWFJFHSA-N -1 3 390.443 3.319 20 0 GGADHM CC[C@H](Oc1ccccc1C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825159180 607447064 /nfs/dbraw/zinc/44/70/64/607447064.db2.gz KUSJZWWKSHPLGT-KRWDZBQOSA-N -1 3 377.448 3.138 20 0 GGADHM Cc1[nH]c(C(=O)CN(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154912 600440005 /nfs/dbraw/zinc/44/00/05/600440005.db2.gz WHOVYZVIAJGEBH-KXBFYZLASA-N -1 3 397.519 3.497 20 0 GGADHM CN(Cc1cccc(C(=O)[O-])c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263490444 600442225 /nfs/dbraw/zinc/44/22/25/600442225.db2.gz QXPWWQGADKCRPP-MRXNPFEDSA-N -1 3 383.366 3.275 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000736465393 600444829 /nfs/dbraw/zinc/44/48/29/600444829.db2.gz CGDQIYREDFFUPY-UHFFFAOYSA-N -1 3 376.453 3.242 20 0 GGADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000739285381 600449957 /nfs/dbraw/zinc/44/99/57/600449957.db2.gz GZCOOFBEUOCULB-REWPJTCUSA-N -1 3 395.503 3.102 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000740018879 600456577 /nfs/dbraw/zinc/45/65/77/600456577.db2.gz WQTCVMAJTGHFRC-UHFFFAOYSA-N -1 3 396.491 3.067 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736722814 600457105 /nfs/dbraw/zinc/45/71/05/600457105.db2.gz DVXCJZLQJYOBCU-OXJNMPFZSA-N -1 3 396.491 3.454 20 0 GGADHM C[C@@H](CNC(=O)NCCc1ccc(NC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736596576 600458672 /nfs/dbraw/zinc/45/86/72/600458672.db2.gz XITOKZLONOEZLI-INIZCTEOSA-N -1 3 384.480 3.139 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000740018984 600460735 /nfs/dbraw/zinc/46/07/35/600460735.db2.gz YPISAGRDFVXCAW-FQEVSTJZSA-N -1 3 396.491 3.283 20 0 GGADHM CCc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C(=O)[O-])cc2OC)o1 ZINC000737259616 600462545 /nfs/dbraw/zinc/46/25/45/600462545.db2.gz VIFLWMMNUNNESK-RDJZCZTQSA-N -1 3 389.448 3.126 20 0 GGADHM C[C@@H]1SCCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000572609379 600490173 /nfs/dbraw/zinc/49/01/73/600490173.db2.gz NSNLDCCGXZUMPC-QKYXUNIQSA-N -1 3 387.501 3.303 20 0 GGADHM C[C@@H]1SCCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])[C@H]1c1ccccc1 ZINC000736838783 600490639 /nfs/dbraw/zinc/49/06/39/600490639.db2.gz UETQTNVGQVBMDM-KIFXKCFGSA-N -1 3 392.546 3.057 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737370041 600498974 /nfs/dbraw/zinc/49/89/74/600498974.db2.gz OKPSXHSMNSKMBY-UHFFFAOYSA-N -1 3 384.480 3.092 20 0 GGADHM CC(C)[C@@H]1CCCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736395474 600509043 /nfs/dbraw/zinc/50/90/43/600509043.db2.gz MXKDQPFUQMWMTF-OXQOHEQNSA-N -1 3 385.508 3.038 20 0 GGADHM CCc1cc2oc(=O)cc(CN(CCC(=O)[O-])C[C@@H]3CCCO3)c2cc1Cl ZINC000737252966 600511886 /nfs/dbraw/zinc/51/18/86/600511886.db2.gz ZMEVWQGGTWQJSU-HNNXBMFYSA-N -1 3 393.867 3.465 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736660774 600521405 /nfs/dbraw/zinc/52/14/05/600521405.db2.gz BTYGPELQMVLKLI-QWHCGFSZSA-N -1 3 392.402 3.342 20 0 GGADHM Cc1oc(CN(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1C(=O)[O-] ZINC000738966666 600534983 /nfs/dbraw/zinc/53/49/83/600534983.db2.gz BIJYDPWAJJCFFN-KRWDZBQOSA-N -1 3 385.464 3.092 20 0 GGADHM CCc1ccc([C@H]2CCCCN2CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)o1 ZINC000821481022 607452483 /nfs/dbraw/zinc/45/24/83/607452483.db2.gz HJWKVQRWRQYPTC-OAHLLOKOSA-N -1 3 398.467 3.398 20 0 GGADHM CCc1ccc([C@H]2CCCCN2CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000821481022 607452485 /nfs/dbraw/zinc/45/24/85/607452485.db2.gz HJWKVQRWRQYPTC-OAHLLOKOSA-N -1 3 398.467 3.398 20 0 GGADHM O=C([O-])CCOc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000739738528 600543473 /nfs/dbraw/zinc/54/34/73/600543473.db2.gz IJPQTFLIVKRSNA-LJQANCHMSA-N -1 3 397.475 3.326 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736392200 600545893 /nfs/dbraw/zinc/54/58/93/600545893.db2.gz TZGVIUAPCNVYBE-UNMCSNQZSA-N -1 3 380.488 3.354 20 0 GGADHM CCCC[C@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000736979983 600546552 /nfs/dbraw/zinc/54/65/52/600546552.db2.gz ROPYIODVYGGTEJ-UONOGXRCSA-N -1 3 378.498 3.120 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826208255 607453950 /nfs/dbraw/zinc/45/39/50/607453950.db2.gz BLZPTZCTBJCHJU-UHFFFAOYSA-N -1 3 398.854 3.017 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826208255 607453951 /nfs/dbraw/zinc/45/39/51/607453951.db2.gz BLZPTZCTBJCHJU-UHFFFAOYSA-N -1 3 398.854 3.017 20 0 GGADHM Cc1ccccc1C[C@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826306579 607454275 /nfs/dbraw/zinc/45/42/75/607454275.db2.gz FAQBWYAQAWBFGP-HNNXBMFYSA-N -1 3 376.464 3.095 20 0 GGADHM Cc1ccccc1C[C@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826306579 607454276 /nfs/dbraw/zinc/45/42/76/607454276.db2.gz FAQBWYAQAWBFGP-HNNXBMFYSA-N -1 3 376.464 3.095 20 0 GGADHM O=C([O-])[C@@H]1CC12CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000739528847 600566512 /nfs/dbraw/zinc/56/65/12/600566512.db2.gz ZJELAOTVZXWPJU-RBUKOAKNSA-N -1 3 385.508 3.110 20 0 GGADHM O=C([O-])c1n[nH]c2ccc(NC(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc21 ZINC000739403936 600569537 /nfs/dbraw/zinc/56/95/37/600569537.db2.gz JZJSLNVTMHMFSQ-SFHVURJKSA-N -1 3 393.447 3.220 20 0 GGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1F ZINC000824158595 607455098 /nfs/dbraw/zinc/45/50/98/607455098.db2.gz ZPEJJOIALYPTJW-UHFFFAOYSA-N -1 3 394.454 3.272 20 0 GGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1F ZINC000824158595 607455099 /nfs/dbraw/zinc/45/50/99/607455099.db2.gz ZPEJJOIALYPTJW-UHFFFAOYSA-N -1 3 394.454 3.272 20 0 GGADHM Cc1cccc(C(C)(C)CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826296046 607455898 /nfs/dbraw/zinc/45/58/98/607455898.db2.gz HTPLPQONBQYLCK-UHFFFAOYSA-N -1 3 390.491 3.441 20 0 GGADHM Cc1cccc(C(C)(C)CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826296046 607455900 /nfs/dbraw/zinc/45/59/00/607455900.db2.gz HTPLPQONBQYLCK-UHFFFAOYSA-N -1 3 390.491 3.441 20 0 GGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(F)c1 ZINC000824158573 607456418 /nfs/dbraw/zinc/45/64/18/607456418.db2.gz YRBKXKVMEVXBDI-UHFFFAOYSA-N -1 3 394.454 3.272 20 0 GGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(F)c1 ZINC000824158573 607456420 /nfs/dbraw/zinc/45/64/20/607456420.db2.gz YRBKXKVMEVXBDI-UHFFFAOYSA-N -1 3 394.454 3.272 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000826250482 607462185 /nfs/dbraw/zinc/46/21/85/607462185.db2.gz CVTIRMAWDCFESZ-UHFFFAOYSA-N -1 3 378.417 3.257 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000826250482 607462187 /nfs/dbraw/zinc/46/21/87/607462187.db2.gz CVTIRMAWDCFESZ-UHFFFAOYSA-N -1 3 378.417 3.257 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000825669360 607458508 /nfs/dbraw/zinc/45/85/08/607458508.db2.gz WBGYXEUOJOFPLL-CVEARBPZSA-N -1 3 386.525 3.219 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000825669360 607458510 /nfs/dbraw/zinc/45/85/10/607458510.db2.gz WBGYXEUOJOFPLL-CVEARBPZSA-N -1 3 386.525 3.219 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824499690 607458633 /nfs/dbraw/zinc/45/86/33/607458633.db2.gz RJFKSGADAPHKKU-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824499690 607458634 /nfs/dbraw/zinc/45/86/34/607458634.db2.gz RJFKSGADAPHKKU-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM Cc1cnc([C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C2CC2)s1 ZINC000826318135 607459069 /nfs/dbraw/zinc/45/90/69/607459069.db2.gz WWLPJYKJGUSAHA-HNNXBMFYSA-N -1 3 395.492 3.071 20 0 GGADHM Cc1c(F)cccc1NC(=O)CCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000832854952 600690161 /nfs/dbraw/zinc/69/01/61/600690161.db2.gz YSJSRGCNDCRTDU-OAHLLOKOSA-N -1 3 399.466 3.372 20 0 GGADHM Cc1c(F)cccc1NC(=O)CCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000832854951 600690211 /nfs/dbraw/zinc/69/02/11/600690211.db2.gz YSJSRGCNDCRTDU-HNNXBMFYSA-N -1 3 399.466 3.372 20 0 GGADHM Cc1cnc([C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C2CC2)s1 ZINC000826318135 607459070 /nfs/dbraw/zinc/45/90/70/607459070.db2.gz WWLPJYKJGUSAHA-HNNXBMFYSA-N -1 3 395.492 3.071 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000826249404 607463376 /nfs/dbraw/zinc/46/33/76/607463376.db2.gz AWZXFNPDGLGGKT-UHFFFAOYSA-N -1 3 381.346 3.096 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000826249404 607463377 /nfs/dbraw/zinc/46/33/77/607463377.db2.gz AWZXFNPDGLGGKT-UHFFFAOYSA-N -1 3 381.346 3.096 20 0 GGADHM Cc1cccc(C[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C(=O)[O-])c1 ZINC000832969308 600707932 /nfs/dbraw/zinc/70/79/32/600707932.db2.gz JVLYCCUOKAGQKL-KRWDZBQOSA-N -1 3 394.471 3.476 20 0 GGADHM C[C@@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccc(C(=O)[O-])o1 ZINC000827825419 600709912 /nfs/dbraw/zinc/70/99/12/600709912.db2.gz FGXWZQUECZLYOW-ZWNOBZJWSA-N -1 3 377.780 3.289 20 0 GGADHM CC(C)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CCOCC1 ZINC000736454972 600716782 /nfs/dbraw/zinc/71/67/82/600716782.db2.gz MSTYCRQWBQOZGN-UHFFFAOYSA-N -1 3 380.510 3.153 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CN[C@H](C(=O)[O-])c3ccccc3F)cc2)C[C@H](C)O1 ZINC000828455779 600736852 /nfs/dbraw/zinc/73/68/52/600736852.db2.gz GQBFHSIQBSCHSU-MRUHUIDDSA-N -1 3 386.467 3.350 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2)C[C@@H](C)O1 ZINC000828455782 600736876 /nfs/dbraw/zinc/73/68/76/600736876.db2.gz GQBFHSIQBSCHSU-WHSLLNHNSA-N -1 3 386.467 3.350 20 0 GGADHM Cc1cc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000285161718 600738046 /nfs/dbraw/zinc/73/80/46/600738046.db2.gz SNPJOWRCQIWVLK-HNNXBMFYSA-N -1 3 390.505 3.101 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736815532 600743973 /nfs/dbraw/zinc/74/39/73/600743973.db2.gz SBTQVKDJVJHGMY-KRWDZBQOSA-N -1 3 397.475 3.278 20 0 GGADHM CC(C)c1nnc2n1C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827175269 600744858 /nfs/dbraw/zinc/74/48/58/600744858.db2.gz JUWOKTTYEFXACB-NHYWBVRUSA-N -1 3 383.279 3.439 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](N[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000832367535 600746887 /nfs/dbraw/zinc/74/68/87/600746887.db2.gz HPQBKHYXBDUBSA-ACJLOTCBSA-N -1 3 378.831 3.482 20 0 GGADHM CC(C)c1nc2n(n1)C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827158847 600748552 /nfs/dbraw/zinc/74/85/52/600748552.db2.gz RWOZZHDYYVERCR-IAQYHMDHSA-N -1 3 383.279 3.439 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263512526 600751133 /nfs/dbraw/zinc/75/11/33/600751133.db2.gz ZGKWLDYVRHYHCX-HNNXBMFYSA-N -1 3 390.505 3.266 20 0 GGADHM O=C([O-])[C@@H](N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1F ZINC000833166039 600751990 /nfs/dbraw/zinc/75/19/90/600751990.db2.gz FFIFCZYUIOJUMG-PXAZEXFGSA-N -1 3 380.366 3.421 20 0 GGADHM O=C([O-])[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cccc(Cl)c1 ZINC000833167823 600761585 /nfs/dbraw/zinc/76/15/85/600761585.db2.gz QHJLHPPIBZPAGY-AJYBTWMASA-N -1 3 384.863 3.212 20 0 GGADHM O=C(CSc1ccccc1Cl)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826421241 607466713 /nfs/dbraw/zinc/46/67/13/607466713.db2.gz YLXRFGCCEJAGDG-UHFFFAOYSA-N -1 3 397.851 3.194 20 0 GGADHM O=C(CSc1ccccc1Cl)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826421241 607466714 /nfs/dbraw/zinc/46/67/14/607466714.db2.gz YLXRFGCCEJAGDG-UHFFFAOYSA-N -1 3 397.851 3.194 20 0 GGADHM O=C(Nc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c1)C1CCC1 ZINC000823363806 607472434 /nfs/dbraw/zinc/47/24/34/607472434.db2.gz OHBGLLAZDVMGQI-UHFFFAOYSA-N -1 3 380.427 3.034 20 0 GGADHM CC[C@@H]1CCc2ccccc2N1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825204798 607469201 /nfs/dbraw/zinc/46/92/01/607469201.db2.gz SFGIQVIAYUVSNA-OAHLLOKOSA-N -1 3 380.452 3.246 20 0 GGADHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000830792563 600801116 /nfs/dbraw/zinc/80/11/16/600801116.db2.gz VHTWCUMRRYVQDO-CQSZACIVSA-N -1 3 398.887 3.358 20 0 GGADHM CN(C)Cc1cccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000830619745 600813600 /nfs/dbraw/zinc/81/36/00/600813600.db2.gz JZJAZMDXSSMZOU-UHFFFAOYSA-N -1 3 376.403 3.144 20 0 GGADHM COc1cc2c(cc1CNc1cc(-c3nnn[n-]3)c3ccccc3n1)O[C@H](C)C2 ZINC000821728673 607470220 /nfs/dbraw/zinc/47/02/20/607470220.db2.gz YHQMVRZEDOKLGZ-GFCCVEGCSA-N -1 3 388.431 3.359 20 0 GGADHM COc1cc2c(cc1CNc1cc(-c3nn[n-]n3)c3ccccc3n1)O[C@H](C)C2 ZINC000821728673 607470222 /nfs/dbraw/zinc/47/02/22/607470222.db2.gz YHQMVRZEDOKLGZ-GFCCVEGCSA-N -1 3 388.431 3.359 20 0 GGADHM CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000463339528 600845214 /nfs/dbraw/zinc/84/52/14/600845214.db2.gz IXHWGNCXFHGHQY-RXVVDRJESA-N -1 3 384.451 3.170 20 0 GGADHM CN(C[C@@H]1CCCN1CCOc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000830718817 600850471 /nfs/dbraw/zinc/85/04/71/600850471.db2.gz ZITXZFGLHFAKKX-INIZCTEOSA-N -1 3 378.469 3.095 20 0 GGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(OC[C@@H]2CCCO2)c1 ZINC000822254420 607475638 /nfs/dbraw/zinc/47/56/38/607475638.db2.gz JEIVKFJPHDJBOU-INIZCTEOSA-N -1 3 383.427 3.484 20 0 GGADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(OC[C@@H]2CCCO2)c1 ZINC000822254420 607475640 /nfs/dbraw/zinc/47/56/40/607475640.db2.gz JEIVKFJPHDJBOU-INIZCTEOSA-N -1 3 383.427 3.484 20 0 GGADHM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000833186527 600916820 /nfs/dbraw/zinc/91/68/20/600916820.db2.gz MVJDQZRKKBSRHI-SJORKVTESA-N -1 3 376.522 3.107 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)c1 ZINC000832971596 600933491 /nfs/dbraw/zinc/93/34/91/600933491.db2.gz QGXXTUVWUKMGNP-UHFFFAOYSA-N -1 3 395.503 3.163 20 0 GGADHM CCc1ccc([C@H]2CCCCN2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000737259320 600969318 /nfs/dbraw/zinc/96/93/18/600969318.db2.gz OLHLNVOWNHVODL-PWDRBQJJSA-N -1 3 378.494 3.261 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000737259317 600969348 /nfs/dbraw/zinc/96/93/48/600969348.db2.gz OLHLNVOWNHVODL-BRYHAGSVSA-N -1 3 378.494 3.261 20 0 GGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000826114300 600970474 /nfs/dbraw/zinc/97/04/74/600970474.db2.gz PHIOYVWIJAUJKZ-UHFFFAOYSA-N -1 3 395.503 3.200 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000737863416 600978759 /nfs/dbraw/zinc/97/87/59/600978759.db2.gz ODWLTHIWLUTZJV-IRXDYDNUSA-N -1 3 389.448 3.262 20 0 GGADHM Cc1cccc([C@H]2CCCN2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1C ZINC000738698525 600979347 /nfs/dbraw/zinc/97/93/47/600979347.db2.gz MRURPUTUISTEQD-YADHBBJMSA-N -1 3 392.499 3.478 20 0 GGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000833157512 600987964 /nfs/dbraw/zinc/98/79/64/600987964.db2.gz QQEZMFXPRFTWLO-SFHVURJKSA-N -1 3 389.402 3.377 20 0 GGADHM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(CCC(=O)[O-])CC(C)C ZINC000832909224 600992247 /nfs/dbraw/zinc/99/22/47/600992247.db2.gz LVOGGGZACBJOEE-UHFFFAOYSA-N -1 3 386.496 3.169 20 0 GGADHM CN(C(=O)NCCc1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830499939 600996709 /nfs/dbraw/zinc/99/67/09/600996709.db2.gz GSSLBYHXOSHKOC-OAQYLSRUSA-N -1 3 395.503 3.233 20 0 GGADHM CN(C(=O)NCCc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830499930 600996755 /nfs/dbraw/zinc/99/67/55/600996755.db2.gz GSSLBYHXOSHKOC-NRFANRHFSA-N -1 3 395.503 3.233 20 0 GGADHM CCC[C@@](C)(NCc1csc(CC(=O)Nc2ccc(C)cc2)n1)C(=O)[O-] ZINC000829202772 601007964 /nfs/dbraw/zinc/00/79/64/601007964.db2.gz RRLYMUDFEQKZRQ-LJQANCHMSA-N -1 3 375.494 3.366 20 0 GGADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000833169433 601011161 /nfs/dbraw/zinc/01/11/61/601011161.db2.gz BJEFVKXYDZPOLT-BLLLJJGKSA-N -1 3 385.291 3.454 20 0 GGADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000833169436 601011497 /nfs/dbraw/zinc/01/14/97/601011497.db2.gz BJEFVKXYDZPOLT-LRDDRELGSA-N -1 3 385.291 3.454 20 0 GGADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000833172997 601015132 /nfs/dbraw/zinc/01/51/32/601015132.db2.gz YUPVXLQWCWKSJS-YOEHRIQHSA-N -1 3 387.307 3.306 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2F)N(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000828193335 601025628 /nfs/dbraw/zinc/02/56/28/601025628.db2.gz WRAAZAHFHYYKQD-KXJOEGPQSA-N -1 3 378.469 3.100 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832842787 601047840 /nfs/dbraw/zinc/04/78/40/601047840.db2.gz JKNCDHHJLGYTFD-CRAIPNDOSA-N -1 3 397.519 3.497 20 0 GGADHM O=C([O-])CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCOCC1 ZINC000571679947 601047995 /nfs/dbraw/zinc/04/79/95/601047995.db2.gz AWSBQPVIDMDNNL-UHFFFAOYSA-N -1 3 398.459 3.373 20 0 GGADHM O=C([O-])CCN(CC(=O)Nc1ccccc1Oc1ccccc1)C1CCOCC1 ZINC000583203344 601048642 /nfs/dbraw/zinc/04/86/42/601048642.db2.gz DWIUONKJEKFLGN-UHFFFAOYSA-N -1 3 398.459 3.373 20 0 GGADHM O=C([O-])CCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC000833231853 601050321 /nfs/dbraw/zinc/05/03/21/601050321.db2.gz BZVIGVKLYQXDDA-UHFFFAOYSA-N -1 3 382.460 3.248 20 0 GGADHM O=C([O-])[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000738480033 601081818 /nfs/dbraw/zinc/08/18/18/601081818.db2.gz UCBSTRCFQPTXQI-UYAOXDASSA-N -1 3 384.451 3.022 20 0 GGADHM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000738480032 601081962 /nfs/dbraw/zinc/08/19/62/601081962.db2.gz UCBSTRCFQPTXQI-QUCCMNQESA-N -1 3 384.451 3.022 20 0 GGADHM COc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1-c1nnn[n-]1 ZINC000826195412 607487154 /nfs/dbraw/zinc/48/71/54/607487154.db2.gz SSNDOQRGFGLWNA-SFHVURJKSA-N -1 3 385.855 3.102 20 0 GGADHM COc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1-c1nn[n-]n1 ZINC000826195412 607487156 /nfs/dbraw/zinc/48/71/56/607487156.db2.gz SSNDOQRGFGLWNA-SFHVURJKSA-N -1 3 385.855 3.102 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000823358542 607487990 /nfs/dbraw/zinc/48/79/90/607487990.db2.gz ACDUMZNSHPJTOD-ROUUACIJSA-N -1 3 396.426 3.126 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000823358542 607487992 /nfs/dbraw/zinc/48/79/92/607487992.db2.gz ACDUMZNSHPJTOD-ROUUACIJSA-N -1 3 396.426 3.126 20 0 GGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823705405 607488062 /nfs/dbraw/zinc/48/80/62/607488062.db2.gz GTBXKFDVBURAFP-OALUTQOASA-N -1 3 383.427 3.300 20 0 GGADHM O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823705405 607488063 /nfs/dbraw/zinc/48/80/63/607488063.db2.gz GTBXKFDVBURAFP-OALUTQOASA-N -1 3 383.427 3.300 20 0 GGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823705407 607488163 /nfs/dbraw/zinc/48/81/63/607488163.db2.gz GTBXKFDVBURAFP-RBUKOAKNSA-N -1 3 383.427 3.300 20 0 GGADHM O[C@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823705407 607488165 /nfs/dbraw/zinc/48/81/65/607488165.db2.gz GTBXKFDVBURAFP-RBUKOAKNSA-N -1 3 383.427 3.300 20 0 GGADHM CCc1[nH]c(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000830184018 601108624 /nfs/dbraw/zinc/10/86/24/601108624.db2.gz QJZPQJVBGDDNCY-HNNXBMFYSA-N -1 3 383.492 3.320 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000832916747 601116245 /nfs/dbraw/zinc/11/62/45/601116245.db2.gz RHFHTTZMNYVVMV-FQEVSTJZSA-N -1 3 395.503 3.228 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N(CC(=O)[O-])c3cccc(F)c3)cc2)CC1 ZINC000826966021 601144557 /nfs/dbraw/zinc/14/45/57/601144557.db2.gz JDQOWTBMFLMHPU-UHFFFAOYSA-N -1 3 399.466 3.088 20 0 GGADHM CCOc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)ccc1OCC(=O)[O-] ZINC000830039027 601148247 /nfs/dbraw/zinc/14/82/47/601148247.db2.gz WKNCBNLHQWRAPG-UHFFFAOYSA-N -1 3 386.448 3.171 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000248514248 601149404 /nfs/dbraw/zinc/14/94/04/601149404.db2.gz DWDAOGWASWVLTE-NJAFHUGGSA-N -1 3 399.516 3.291 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000248514247 601149578 /nfs/dbraw/zinc/14/95/78/601149578.db2.gz DWDAOGWASWVLTE-JQHSSLGASA-N -1 3 399.516 3.291 20 0 GGADHM CN(CCC(=O)NCC(=O)[O-])[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830727080 601184195 /nfs/dbraw/zinc/18/41/95/601184195.db2.gz JOAUWYNGTXUIEK-IBGZPJMESA-N -1 3 378.831 3.091 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000826055222 601201853 /nfs/dbraw/zinc/20/18/53/601201853.db2.gz WZNGGIDNHFTNML-YVEFUNNKSA-N -1 3 391.265 3.439 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832373913 601203231 /nfs/dbraw/zinc/20/32/31/601203231.db2.gz NSEPHVYVVKXXMV-KZULUSFZSA-N -1 3 376.840 3.339 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000826052414 601203532 /nfs/dbraw/zinc/20/35/32/601203532.db2.gz GKXZKAPGVCSFNR-SJKOYZFVSA-N -1 3 391.265 3.439 20 0 GGADHM COc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1Cl ZINC000832394284 601206425 /nfs/dbraw/zinc/20/64/25/601206425.db2.gz QTHCRJYQLAZKDO-KPZWWZAWSA-N -1 3 376.840 3.339 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000832946147 601206823 /nfs/dbraw/zinc/20/68/23/601206823.db2.gz LFAMBSOYTSNWOR-DNVCBOLYSA-N -1 3 383.448 3.003 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)Cc1cc2ccccc2o1 ZINC000831917190 601306337 /nfs/dbraw/zinc/30/63/37/601306337.db2.gz GDZQGHUYNAWCJQ-INIZCTEOSA-N -1 3 385.416 3.011 20 0 GGADHM Cc1ccc(CNC(=O)C2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)cc1 ZINC000832932569 601306575 /nfs/dbraw/zinc/30/65/75/601306575.db2.gz PIIWTTBKLGWSPI-UHFFFAOYSA-N -1 3 384.451 3.361 20 0 GGADHM COCCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000821686137 607500845 /nfs/dbraw/zinc/50/08/45/607500845.db2.gz BNDUPXCNDCMBOG-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM COCCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000821686137 607500847 /nfs/dbraw/zinc/50/08/47/607500847.db2.gz BNDUPXCNDCMBOG-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM COCCN(C(=O)c1ccc2nc(C)ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688970 607500921 /nfs/dbraw/zinc/50/09/21/607500921.db2.gz GCCFVGXWXDCYBS-UHFFFAOYSA-N -1 3 388.431 3.017 20 0 GGADHM COCCN(C(=O)c1ccc2nc(C)ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688970 607500923 /nfs/dbraw/zinc/50/09/23/607500923.db2.gz GCCFVGXWXDCYBS-UHFFFAOYSA-N -1 3 388.431 3.017 20 0 GGADHM Cc1ccc2cc(C(=O)Nc3ccnn3-c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000822279633 607500977 /nfs/dbraw/zinc/50/09/77/607500977.db2.gz DFWWPTIHKWKVEA-UHFFFAOYSA-N -1 3 396.414 3.161 20 0 GGADHM O=C([O-])Nc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000833290127 601333149 /nfs/dbraw/zinc/33/31/49/601333149.db2.gz NNILIZTUIFQKOJ-UHFFFAOYSA-N -1 3 398.463 3.055 20 0 GGADHM O=C([O-])Nc1cccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000833287411 601333279 /nfs/dbraw/zinc/33/32/79/601333279.db2.gz DCFDBAIYLHXDPW-UHFFFAOYSA-N -1 3 398.463 3.055 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)CONC(=N)COc1cccc(C(=O)[O-])c1 ZINC000832966720 601352482 /nfs/dbraw/zinc/35/24/82/601352482.db2.gz WZZPVVZNVZMAJP-UHFFFAOYSA-N -1 3 399.447 3.333 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000826875864 601404988 /nfs/dbraw/zinc/40/49/88/601404988.db2.gz KTJWOVRZOPJLBS-UHFFFAOYSA-N -1 3 376.501 3.037 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000830369008 601413499 /nfs/dbraw/zinc/41/34/99/601413499.db2.gz HZPXVJCTLDWRIJ-GFCCVEGCSA-N -1 3 391.855 3.439 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000830369396 601418523 /nfs/dbraw/zinc/41/85/23/601418523.db2.gz OUBJIASEWRTOLJ-UHFFFAOYSA-N -1 3 382.258 3.336 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000832915149 601423461 /nfs/dbraw/zinc/42/34/61/601423461.db2.gz HOAXOXMAOARFGM-PXNSSMCTSA-N -1 3 395.503 3.227 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000832915158 601423609 /nfs/dbraw/zinc/42/36/09/601423609.db2.gz HOAXOXMAOARFGM-YLJYHZDGSA-N -1 3 395.503 3.227 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000829170379 601457760 /nfs/dbraw/zinc/45/77/60/601457760.db2.gz PGXNTATZVSNZQO-HOCLYGCPSA-N -1 3 391.489 3.204 20 0 GGADHM COC[C@@](C)(CC(=O)[O-])NCc1cc(Br)ccc1OC(F)F ZINC000831578400 601491304 /nfs/dbraw/zinc/49/13/04/601491304.db2.gz NLIFHZXOUGFHBK-CQSZACIVSA-N -1 3 382.201 3.020 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827717227 601499683 /nfs/dbraw/zinc/49/96/83/601499683.db2.gz FXTYWDFUPOGVOZ-IRXDYDNUSA-N -1 3 395.503 3.341 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000827726996 601511774 /nfs/dbraw/zinc/51/17/74/601511774.db2.gz DNQJLZNFBKKZMD-VGWHQZGPSA-N -1 3 386.473 3.094 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000263093634 601519595 /nfs/dbraw/zinc/51/95/95/601519595.db2.gz ALWXZXFVTCGIFD-LXGCGDOSSA-N -1 3 386.879 3.198 20 0 GGADHM CCOc1ccc(-c2nc(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1OC ZINC000263376695 601523416 /nfs/dbraw/zinc/52/34/16/601523416.db2.gz WRYKANOVYPRANX-IUODEOHRSA-N -1 3 376.478 3.370 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421442 601529853 /nfs/dbraw/zinc/52/98/53/601529853.db2.gz FSORZJDXVRJCOV-IIAWOOMASA-N -1 3 388.464 3.098 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863211 601535934 /nfs/dbraw/zinc/53/59/34/601535934.db2.gz LFEAIQHBHHHONM-FXAWDEMLSA-N -1 3 396.487 3.332 20 0 GGADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000833146965 601547251 /nfs/dbraw/zinc/54/72/51/601547251.db2.gz PATNGWSYKPLHKH-OAQYLSRUSA-N -1 3 390.439 3.394 20 0 GGADHM CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)cs1 ZINC000820696255 601610876 /nfs/dbraw/zinc/61/08/76/601610876.db2.gz AYADGGQCLMODFO-HNNXBMFYSA-N -1 3 389.521 3.257 20 0 GGADHM COc1ccccc1NC(=O)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832622389 601619102 /nfs/dbraw/zinc/61/91/02/601619102.db2.gz AJNNTEBWNOEVRJ-UHFFFAOYSA-N -1 3 386.423 3.383 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1F ZINC000833314424 601620405 /nfs/dbraw/zinc/62/04/05/601620405.db2.gz HWAXKFAOQZWBGM-UHFFFAOYSA-N -1 3 391.830 3.423 20 0 GGADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1F ZINC000831385413 601629498 /nfs/dbraw/zinc/62/94/98/601629498.db2.gz VKGRLQFCORHZJC-HNNXBMFYSA-N -1 3 396.212 3.290 20 0 GGADHM C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000827581979 601650396 /nfs/dbraw/zinc/65/03/96/601650396.db2.gz WBTDUNCPGMVVHH-ARGWCVDVSA-N -1 3 390.430 3.064 20 0 GGADHM C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000827581981 601650613 /nfs/dbraw/zinc/65/06/13/601650613.db2.gz WBTDUNCPGMVVHH-JZKQVHKSSA-N -1 3 390.430 3.064 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832368115 601651016 /nfs/dbraw/zinc/65/10/16/601651016.db2.gz UARLBBZIDODQBS-BFUOFWGJSA-N -1 3 390.867 3.016 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc(=O)oc2c1 ZINC000825913537 601652168 /nfs/dbraw/zinc/65/21/68/601652168.db2.gz SWMVCOSAWBVAKB-LRTDBIEQSA-N -1 3 394.427 3.303 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cc(=O)oc2c1 ZINC000825913539 601652176 /nfs/dbraw/zinc/65/21/76/601652176.db2.gz SWMVCOSAWBVAKB-ZSEKCTLFSA-N -1 3 394.427 3.303 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc(=O)oc2c1 ZINC000825913538 601652232 /nfs/dbraw/zinc/65/22/32/601652232.db2.gz SWMVCOSAWBVAKB-YEJXKQKISA-N -1 3 394.427 3.303 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1ccccc1 ZINC000826054781 601652522 /nfs/dbraw/zinc/65/25/22/601652522.db2.gz 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Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832862729 601675474 /nfs/dbraw/zinc/67/54/74/601675474.db2.gz DMQDTGDZBACMBJ-FQEVSTJZSA-N -1 3 396.487 3.161 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830923590 601691847 /nfs/dbraw/zinc/69/18/47/601691847.db2.gz NHBXDONQWKLTCL-UHFFFAOYSA-N -1 3 397.475 3.278 20 0 GGADHM O=C([O-])C1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC1 ZINC000833136325 601705774 /nfs/dbraw/zinc/70/57/74/601705774.db2.gz MUQCBVZPPQKUTP-UHFFFAOYSA-N -1 3 391.537 3.044 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000830609196 601719409 /nfs/dbraw/zinc/71/94/09/601719409.db2.gz XSPGNSURXZCYDX-UHFFFAOYSA-N -1 3 375.494 3.361 20 0 GGADHM C[C@H](Cc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827593024 601727928 /nfs/dbraw/zinc/72/79/28/601727928.db2.gz YVAYCXHXCBZLIN-WZONZLPQSA-N -1 3 380.488 3.101 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)CCCc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000833098525 601728324 /nfs/dbraw/zinc/72/83/24/601728324.db2.gz VHHXXRFZKHZANR-HSZRJFAPSA-N -1 3 380.488 3.245 20 0 GGADHM Cc1ccccc1CCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832980627 601729182 /nfs/dbraw/zinc/72/91/82/601729182.db2.gz JJYVZABAFKTZEL-HSZRJFAPSA-N -1 3 380.488 3.163 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc(F)c2Cl)CCCN(Cc2ccccc2)C1 ZINC000833128878 601729729 /nfs/dbraw/zinc/72/97/29/601729729.db2.gz OYNMLXHNVIOOSM-FQEVSTJZSA-N -1 3 390.842 3.328 20 0 GGADHM O=C(CSc1ccccc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833116125 601729854 /nfs/dbraw/zinc/72/98/54/601729854.db2.gz LVRXLIBMFQUNKI-OAQYLSRUSA-N -1 3 384.501 3.014 20 0 GGADHM COc1cccc([C@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832528405 601730406 /nfs/dbraw/zinc/73/04/06/601730406.db2.gz KGMBNTTXQGLZET-GAJHUEQPSA-N -1 3 396.487 3.034 20 0 GGADHM Cc1cccc(CCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832967601 601730918 /nfs/dbraw/zinc/73/09/18/601730918.db2.gz IDPXQFRDQGFFLK-HSZRJFAPSA-N -1 3 380.488 3.163 20 0 GGADHM O=C([O-])[C@]1(NC(=O)/C=C\c2cccc(F)c2)CCCN(Cc2ccccc2)C1 ZINC000833094705 601730944 /nfs/dbraw/zinc/73/09/44/601730944.db2.gz JZDXYOQSJUHJNG-YRBAHSOBSA-N -1 3 382.435 3.075 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3c(c2)CCC3)CCCN(Cc2ccccc2)C1 ZINC000833128784 601731716 /nfs/dbraw/zinc/73/17/16/601731716.db2.gz MVBGZJZEQNYRPK-HSZRJFAPSA-N -1 3 378.472 3.025 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc3ncccc3c2)CCCN(Cc2ccccc2)C1 ZINC000833128459 601731725 /nfs/dbraw/zinc/73/17/25/601731725.db2.gz GTBOASHRKBDYCY-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3ncccc3c2)CCCN(Cc2ccccc2)C1 ZINC000833128457 601731728 /nfs/dbraw/zinc/73/17/28/601731728.db2.gz GTBOASHRKBDYCY-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc(F)cc2Cl)CCCN(Cc2ccccc2)C1 ZINC000833129246 601731770 /nfs/dbraw/zinc/73/17/70/601731770.db2.gz XWWFLTRERUVWQI-HXUWFJFHSA-N -1 3 390.842 3.328 20 0 GGADHM COc1ccc([C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832216865 601734095 /nfs/dbraw/zinc/73/40/95/601734095.db2.gz UEOOJZFEHWRQEX-SBUREZEXSA-N -1 3 396.487 3.034 20 0 GGADHM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000827226737 601734248 /nfs/dbraw/zinc/73/42/48/601734248.db2.gz PRTOFTYUAUUYCC-JPYJTQIMSA-N -1 3 380.488 3.416 20 0 GGADHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(F)cc1F ZINC000832863577 601734432 /nfs/dbraw/zinc/73/44/32/601734432.db2.gz RQGGCDISVCFFOR-NRFANRHFSA-N -1 3 388.414 3.122 20 0 GGADHM O=C(C[C@@H]1CCc2ccccc21)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833097339 601734789 /nfs/dbraw/zinc/73/47/89/601734789.db2.gz LNNSHXOCLZLZPN-GBXCKJPGSA-N -1 3 392.499 3.342 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)/C=C\c2ccccc2F)CCCN(Cc2ccccc2)C1 ZINC000833094802 601734911 /nfs/dbraw/zinc/73/49/11/601734911.db2.gz KTQGDFOWLTXMBN-SSSWZJSRSA-N -1 3 382.435 3.075 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc3cccnc32)CCCN(Cc2ccccc2)C1 ZINC000833128463 601734967 /nfs/dbraw/zinc/73/49/67/601734967.db2.gz 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O=C([O-])CCCc1csc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000833228964 601742164 /nfs/dbraw/zinc/74/21/64/601742164.db2.gz KMTJCKSONTUBAG-INIZCTEOSA-N -1 3 387.505 3.401 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cc3c(cccc3F)[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128610 601777182 /nfs/dbraw/zinc/77/71/82/601777182.db2.gz JXMWYZJMXOCMSZ-JOCHJYFZSA-N -1 3 395.434 3.156 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cc3cc(F)ccc3[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128496 601777237 /nfs/dbraw/zinc/77/72/37/601777237.db2.gz IAGHXYXNBNVJOY-JOCHJYFZSA-N -1 3 395.434 3.156 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000830608941 601777404 /nfs/dbraw/zinc/77/74/04/601777404.db2.gz MIZUJEHQVSOAED-UHFFFAOYSA-N -1 3 390.509 3.154 20 0 GGADHM O=C([O-])c1sccc1CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000833347573 601806162 /nfs/dbraw/zinc/80/61/62/601806162.db2.gz MCDLHFBTDIXASE-UHFFFAOYSA-N -1 3 388.445 3.026 20 0 GGADHM C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000659773668 601820165 /nfs/dbraw/zinc/82/01/65/601820165.db2.gz CYIALGZWUBGYAG-SFHVURJKSA-N -1 3 386.536 3.433 20 0 GGADHM CC[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000659393983 601824784 /nfs/dbraw/zinc/82/47/84/601824784.db2.gz HVSZFFUTWGPSJQ-HXUWFJFHSA-N -1 3 387.524 3.110 20 0 GGADHM C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(CCC(=O)[O-])CC1 ZINC000662218859 601840247 /nfs/dbraw/zinc/84/02/47/601840247.db2.gz VIAKCFXCDSFEFT-CYBMUJFWSA-N -1 3 384.879 3.403 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000825977943 601843494 /nfs/dbraw/zinc/84/34/94/601843494.db2.gz SLSXZWSOPNBBES-HXOBKFHXSA-N -1 3 384.520 3.068 20 0 GGADHM CC[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000666516379 601849265 /nfs/dbraw/zinc/84/92/65/601849265.db2.gz OGBFPNVMERPCQZ-HXUWFJFHSA-N -1 3 381.476 3.021 20 0 GGADHM C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000827741673 601852161 /nfs/dbraw/zinc/85/21/61/601852161.db2.gz PQHCIFDHDJDMRC-CYBMUJFWSA-N -1 3 381.881 3.190 20 0 GGADHM C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000827741903 601852450 /nfs/dbraw/zinc/85/24/50/601852450.db2.gz WSJDKDLMQPVORK-CYBMUJFWSA-N -1 3 381.881 3.190 20 0 GGADHM Cc1ccc(C)c([C@H](C)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c1 ZINC000832926450 601853246 /nfs/dbraw/zinc/85/32/46/601853246.db2.gz VLYDTLYJOWFZDF-INIZCTEOSA-N -1 3 375.490 3.154 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NOCc1ccc(C(F)(F)F)cc1 ZINC000826402156 607530561 /nfs/dbraw/zinc/53/05/61/607530561.db2.gz NVMQBGCWCIPTHJ-JXMROGBWSA-N -1 3 389.337 3.147 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NOCc1ccc(C(F)(F)F)cc1 ZINC000826402156 607530562 /nfs/dbraw/zinc/53/05/62/607530562.db2.gz NVMQBGCWCIPTHJ-JXMROGBWSA-N -1 3 389.337 3.147 20 0 GGADHM O=C([O-])c1cccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000666530645 601877490 /nfs/dbraw/zinc/87/74/90/601877490.db2.gz SLWXJHUOMNDPBM-HXUWFJFHSA-N -1 3 381.476 3.411 20 0 GGADHM O=C([O-])c1cccc(N2CC(=O)N(CN(CC3CC3)C3CCCCC3)C2=O)c1 ZINC000833330604 601877890 /nfs/dbraw/zinc/87/78/90/601877890.db2.gz WGZOEPJHQDERRT-UHFFFAOYSA-N -1 3 385.464 3.156 20 0 GGADHM Cc1ccc(OC[C@@H](O)CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000832951263 601901773 /nfs/dbraw/zinc/90/17/73/601901773.db2.gz MGOSFCNSVYSKDE-LIRRHRJNSA-N -1 3 397.393 3.218 20 0 GGADHM CN(CCC(=O)Nc1ccc(F)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727054 601902440 /nfs/dbraw/zinc/90/24/40/601902440.db2.gz HQUYBNIBCNXWKG-KRWDZBQOSA-N -1 3 384.329 3.329 20 0 GGADHM CN(CCC(=O)N1CCc2ccccc21)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727093 601902495 /nfs/dbraw/zinc/90/24/95/601902495.db2.gz KGYGYOBRSMMVOA-IBGZPJMESA-N -1 3 392.377 3.141 20 0 GGADHM CN(CCc1nc2ccccc2n1C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800735 601905209 /nfs/dbraw/zinc/90/52/09/601905209.db2.gz WNWMZZGCVLSJGC-GOSISDBHSA-N -1 3 377.366 3.291 20 0 GGADHM Cc1cccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826300642 607533926 /nfs/dbraw/zinc/53/39/26/607533926.db2.gz CFOZSSUYFCCIQU-UHFFFAOYSA-N -1 3 395.444 3.164 20 0 GGADHM Cc1cccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826300642 607533929 /nfs/dbraw/zinc/53/39/29/607533929.db2.gz CFOZSSUYFCCIQU-UHFFFAOYSA-N -1 3 395.444 3.164 20 0 GGADHM C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176854 601929253 /nfs/dbraw/zinc/92/92/53/601929253.db2.gz LUCQPJBHHZUWGM-JXFKEZNVSA-N -1 3 381.476 3.189 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000449084639 601931683 /nfs/dbraw/zinc/93/16/83/601931683.db2.gz YMANKDQWTDBDSV-CTNGQTDRSA-N -1 3 386.879 3.342 20 0 GGADHM COc1ccc(CSCc2nc(-c3ccc(F)cc3)no2)cc1-c1nnn[n-]1 ZINC000826207770 607534743 /nfs/dbraw/zinc/53/47/43/607534743.db2.gz CNKZYONCONYIQO-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM COc1ccc(CSCc2nc(-c3ccc(F)cc3)no2)cc1-c1nn[n-]n1 ZINC000826207770 607534745 /nfs/dbraw/zinc/53/47/45/607534745.db2.gz CNKZYONCONYIQO-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263157663 601937405 /nfs/dbraw/zinc/93/74/05/601937405.db2.gz OIFMHIKQRMWFDO-ZHRRBRCNSA-N -1 3 382.460 3.389 20 0 GGADHM CN(C(=O)CN1CC[C@@](C)(C(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000449081780 601939930 /nfs/dbraw/zinc/93/99/30/601939930.db2.gz HVJOZULBUIGPSY-RBBKRZOGSA-N -1 3 384.451 3.170 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000263198655 601945399 /nfs/dbraw/zinc/94/53/99/601945399.db2.gz UTDZEUAVEDFTCF-QHCPKHFHSA-N -1 3 380.488 3.121 20 0 GGADHM O=C([O-])Cc1cccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000738625484 601953540 /nfs/dbraw/zinc/95/35/40/601953540.db2.gz RZKGHZOXWRMWDG-UHFFFAOYSA-N -1 3 383.517 3.265 20 0 GGADHM COCc1cccc(CSCCOc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826164466 607535936 /nfs/dbraw/zinc/53/59/36/607535936.db2.gz BJAVQFQNVVVIHQ-UHFFFAOYSA-N -1 3 386.477 3.334 20 0 GGADHM COCc1cccc(CSCCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826164466 607535938 /nfs/dbraw/zinc/53/59/38/607535938.db2.gz BJAVQFQNVVVIHQ-UHFFFAOYSA-N -1 3 386.477 3.334 20 0 GGADHM COc1cccc(C(=O)NCCN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832518756 601971229 /nfs/dbraw/zinc/97/12/29/601971229.db2.gz VHVDJUIPCZEKLY-INIZCTEOSA-N -1 3 397.258 3.147 20 0 GGADHM O=C([O-])[C@H](NCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)cc(Cl)c1 ZINC000833168100 601973959 /nfs/dbraw/zinc/97/39/59/601973959.db2.gz UDSMSBLYGTYGCT-OAHLLOKOSA-N -1 3 393.226 3.005 20 0 GGADHM COC(=O)COc1cccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000831184350 601976455 /nfs/dbraw/zinc/97/64/55/601976455.db2.gz BGBQUHBDOZSTNT-KRWDZBQOSA-N -1 3 398.242 3.461 20 0 GGADHM O=C([O-])[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000833167882 601978875 /nfs/dbraw/zinc/97/88/75/601978875.db2.gz RMHAZWSAOVIFMJ-HZPDHXFCSA-N -1 3 385.291 3.500 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828175936 602037314 /nfs/dbraw/zinc/03/73/14/602037314.db2.gz FAGKBLVYCOOLSA-VQIMIIECSA-N -1 3 397.475 3.325 20 0 GGADHM CN(C(=O)c1cc(F)c(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825499 607540532 /nfs/dbraw/zinc/54/05/32/607540532.db2.gz FEPRGNRTDVOAFK-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CN(C(=O)c1cc(F)c(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825499 607540534 /nfs/dbraw/zinc/54/05/34/607540534.db2.gz FEPRGNRTDVOAFK-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000833170252 602042575 /nfs/dbraw/zinc/04/25/75/602042575.db2.gz GMLPRHBKHWHLQV-LRDDRELGSA-N -1 3 385.291 3.454 20 0 GGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCN(CC2CCOCC2)CC1 ZINC000833173013 602044644 /nfs/dbraw/zinc/04/46/44/602044644.db2.gz ZEDAMTBCXZPCGP-QGZVFWFLSA-N -1 3 387.307 3.163 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826177434 607541255 /nfs/dbraw/zinc/54/12/55/607541255.db2.gz IIWZRWLNKUHYSL-GFCCVEGCSA-N -1 3 397.460 3.197 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826177434 607541256 /nfs/dbraw/zinc/54/12/56/607541256.db2.gz IIWZRWLNKUHYSL-GFCCVEGCSA-N -1 3 397.460 3.197 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1OCCc2ccccc21 ZINC000826452098 607541759 /nfs/dbraw/zinc/54/17/59/607541759.db2.gz HPDTUOFSAMEZLS-HNNXBMFYSA-N -1 3 389.337 3.138 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1OCCc2ccccc21 ZINC000826452098 607541761 /nfs/dbraw/zinc/54/17/61/607541761.db2.gz HPDTUOFSAMEZLS-HNNXBMFYSA-N -1 3 389.337 3.138 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2)CC1 ZINC000533195188 602075912 /nfs/dbraw/zinc/07/59/12/602075912.db2.gz MWUGRIKXOGJRFX-UHFFFAOYSA-N -1 3 381.476 3.096 20 0 GGADHM CCc1nnc(Sc2ccc(C(C)=O)cc2OC)c(-c2nnn[n-]2)c1CC ZINC000825771029 607543326 /nfs/dbraw/zinc/54/33/26/607543326.db2.gz HKBGDXYXGFROPA-UHFFFAOYSA-N -1 3 384.465 3.144 20 0 GGADHM CCc1nnc(Sc2ccc(C(C)=O)cc2OC)c(-c2nn[n-]n2)c1CC ZINC000825771029 607543328 /nfs/dbraw/zinc/54/33/28/607543328.db2.gz HKBGDXYXGFROPA-UHFFFAOYSA-N -1 3 384.465 3.144 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826374785 607543905 /nfs/dbraw/zinc/54/39/05/607543905.db2.gz MJMNIAANSZWBGI-MNOVXSKESA-N -1 3 388.834 3.070 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826374785 607543907 /nfs/dbraw/zinc/54/39/07/607543907.db2.gz MJMNIAANSZWBGI-MNOVXSKESA-N -1 3 388.834 3.070 20 0 GGADHM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000828982306 602130780 /nfs/dbraw/zinc/13/07/80/602130780.db2.gz BGBIFHZBFUTLQZ-PWRODBHTSA-N -1 3 386.467 3.221 20 0 GGADHM COc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826210035 607551001 /nfs/dbraw/zinc/55/10/01/607551001.db2.gz BLUJOFMEVKGPDU-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826210035 607551002 /nfs/dbraw/zinc/55/10/02/607551002.db2.gz BLUJOFMEVKGPDU-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccc(NC(=O)C(C)C)cc2)C(=O)[O-])c1 ZINC000832058283 602166070 /nfs/dbraw/zinc/16/60/70/602166070.db2.gz YCPQTCOQIVNZAR-IBGZPJMESA-N -1 3 386.448 3.214 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(OC)c(OC)c2)C(=O)[O-])c1 ZINC000832048996 602166580 /nfs/dbraw/zinc/16/65/80/602166580.db2.gz CEQMALNHHDHNKR-HXPMCKFVSA-N -1 3 375.421 3.198 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc3c(c2)CCC(=O)N3)C(=O)[O-])c1 ZINC000832049873 602166784 /nfs/dbraw/zinc/16/67/84/602166784.db2.gz KVDUEXFCELHYEE-ODXCJYRJSA-N -1 3 384.432 3.065 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccccc2-n2cccn2)C(=O)[O-])c1 ZINC000832051516 602177886 /nfs/dbraw/zinc/17/78/86/602177886.db2.gz WCBCMOYEHNOBJW-VLIAUNLRSA-N -1 3 381.432 3.366 20 0 GGADHM COc1ccc(CNc2cc(Cl)ccc2-n2cccn2)cc1-c1nnn[n-]1 ZINC000826203150 607548952 /nfs/dbraw/zinc/54/89/52/607548952.db2.gz ALDPHNADEZMJOH-UHFFFAOYSA-N -1 3 381.827 3.327 20 0 GGADHM COc1ccc(CNc2cc(Cl)ccc2-n2cccn2)cc1-c1nn[n-]n1 ZINC000826203150 607548954 /nfs/dbraw/zinc/54/89/54/607548954.db2.gz ALDPHNADEZMJOH-UHFFFAOYSA-N -1 3 381.827 3.327 20 0 GGADHM COc1ccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccc(C)cc2)cc1 ZINC000826189169 607549063 /nfs/dbraw/zinc/54/90/63/607549063.db2.gz OUXIETZLNQYECO-OAQYLSRUSA-N -1 3 386.459 3.458 20 0 GGADHM COc1ccc(CNc2ccc(Oc3ccc(C)nn3)cc2)cc1-c1nnn[n-]1 ZINC000826203769 607551661 /nfs/dbraw/zinc/55/16/61/607551661.db2.gz FPZNCTTYFJIPOJ-UHFFFAOYSA-N -1 3 389.419 3.378 20 0 GGADHM COc1ccc(CNc2ccc(Oc3ccc(C)nn3)cc2)cc1-c1nn[n-]n1 ZINC000826203769 607551662 /nfs/dbraw/zinc/55/16/62/607551662.db2.gz FPZNCTTYFJIPOJ-UHFFFAOYSA-N -1 3 389.419 3.378 20 0 GGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000828672221 602222012 /nfs/dbraw/zinc/22/20/12/602222012.db2.gz OQVXGETVRWCPKN-IBGZPJMESA-N -1 3 375.494 3.366 20 0 GGADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNC1(CC(=O)[O-])CCOCC1 ZINC000833021039 602258074 /nfs/dbraw/zinc/25/80/74/602258074.db2.gz GYBFYZLRRKRAMX-UHFFFAOYSA-N -1 3 377.872 3.007 20 0 GGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000824206974 607560607 /nfs/dbraw/zinc/56/06/07/607560607.db2.gz MTSXFPODOISZGJ-HNNXBMFYSA-N -1 3 385.399 3.144 20 0 GGADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000824206974 607560609 /nfs/dbraw/zinc/56/06/09/607560609.db2.gz MTSXFPODOISZGJ-HNNXBMFYSA-N -1 3 385.399 3.144 20 0 GGADHM COc1ccc(CNc2ncnc3sc4c(c32)CCCC4)cc1-c1nnn[n-]1 ZINC000826204751 607560586 /nfs/dbraw/zinc/56/05/86/607560586.db2.gz YAWJGLWBMGNNGC-UHFFFAOYSA-N -1 3 393.476 3.371 20 0 GGADHM COc1ccc(CNc2ncnc3sc4c(c32)CCCC4)cc1-c1nn[n-]n1 ZINC000826204751 607560589 /nfs/dbraw/zinc/56/05/89/607560589.db2.gz YAWJGLWBMGNNGC-UHFFFAOYSA-N -1 3 393.476 3.371 20 0 GGADHM CC(C)C1CCC(N2CCN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)CC2)CC1 ZINC000826727095 602357616 /nfs/dbraw/zinc/35/76/16/602357616.db2.gz KAQSBTFGSRRRCR-UHFFFAOYSA-N -1 3 376.501 3.088 20 0 GGADHM CN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830500908 602363609 /nfs/dbraw/zinc/36/36/09/602363609.db2.gz YPRWHWUSXLBWJT-CQSZACIVSA-N -1 3 389.402 3.401 20 0 GGADHM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830500148 602365274 /nfs/dbraw/zinc/36/52/74/602365274.db2.gz LWERWSUGSZRWGS-FQEVSTJZSA-N -1 3 381.476 3.442 20 0 GGADHM CN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830499953 602397581 /nfs/dbraw/zinc/39/75/81/602397581.db2.gz GYGQHFAWOCEESL-HXUWFJFHSA-N -1 3 396.491 3.235 20 0 GGADHM COc1ccc(CNC(=O)NCCCCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000826199503 607565184 /nfs/dbraw/zinc/56/51/84/607565184.db2.gz AUFBGOQLIIDKIF-UHFFFAOYSA-N -1 3 394.479 3.088 20 0 GGADHM COc1ccc(CNC(=O)NCCCCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000826199503 607565185 /nfs/dbraw/zinc/56/51/85/607565185.db2.gz AUFBGOQLIIDKIF-UHFFFAOYSA-N -1 3 394.479 3.088 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc2c(n1)CCCC2 ZINC000826460908 607566651 /nfs/dbraw/zinc/56/66/51/607566651.db2.gz XQNFWJASSMXKGQ-UHFFFAOYSA-N -1 3 380.477 3.333 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc2c(n1)CCCC2 ZINC000826460908 607566653 /nfs/dbraw/zinc/56/66/53/607566653.db2.gz XQNFWJASSMXKGQ-UHFFFAOYSA-N -1 3 380.477 3.333 20 0 GGADHM O=C(c1cnc2n1CCCC2)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826474857 607566679 /nfs/dbraw/zinc/56/66/79/607566679.db2.gz INEBBDHTSVQHIA-UHFFFAOYSA-N -1 3 399.458 3.247 20 0 GGADHM O=C(c1cnc2n1CCCC2)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826474857 607566681 /nfs/dbraw/zinc/56/66/81/607566681.db2.gz INEBBDHTSVQHIA-UHFFFAOYSA-N -1 3 399.458 3.247 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cc2occc2[nH]1 ZINC000826455489 607571751 /nfs/dbraw/zinc/57/17/51/607571751.db2.gz QEDUUUWAWWSUPR-UHFFFAOYSA-N -1 3 387.359 3.381 20 0 GGADHM CCC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825028277 607571804 /nfs/dbraw/zinc/57/18/04/607571804.db2.gz GJNZGZKZAJEZIM-SSZFMOIBSA-N -1 3 377.448 3.327 20 0 GGADHM CCC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825028277 607571805 /nfs/dbraw/zinc/57/18/05/607571805.db2.gz GJNZGZKZAJEZIM-SSZFMOIBSA-N -1 3 377.448 3.327 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(F)cc1F ZINC000825318585 607576029 /nfs/dbraw/zinc/57/60/29/607576029.db2.gz PYJXAYZNTCNSJU-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(F)cc1F ZINC000825318585 607576030 /nfs/dbraw/zinc/57/60/30/607576030.db2.gz PYJXAYZNTCNSJU-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM O=C([O-])N1CCC(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000738638394 602719297 /nfs/dbraw/zinc/71/92/97/602719297.db2.gz HEEZMDKCIZJIAY-UHFFFAOYSA-N -1 3 379.258 3.071 20 0 GGADHM COc1ccc(CNC(=O)CCc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826196737 607582589 /nfs/dbraw/zinc/58/25/89/607582589.db2.gz MONVGRCZELQEPS-UHFFFAOYSA-N -1 3 387.443 3.278 20 0 GGADHM COc1ccc(CNC(=O)CCc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826196737 607582592 /nfs/dbraw/zinc/58/25/92/607582592.db2.gz MONVGRCZELQEPS-UHFFFAOYSA-N -1 3 387.443 3.278 20 0 GGADHM COc1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000826200890 607586059 /nfs/dbraw/zinc/58/60/59/607586059.db2.gz NYYNIDADABBICJ-UHFFFAOYSA-N -1 3 396.209 3.251 20 0 GGADHM COc1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000826200890 607586060 /nfs/dbraw/zinc/58/60/60/607586060.db2.gz NYYNIDADABBICJ-UHFFFAOYSA-N -1 3 396.209 3.251 20 0 GGADHM O=C(NC[C@H]1CCCn2ccnc21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826435821 607588621 /nfs/dbraw/zinc/58/86/21/607588621.db2.gz YMXCJPBYTPEAFF-OAHLLOKOSA-N -1 3 399.458 3.038 20 0 GGADHM O=C(NC[C@H]1CCCn2ccnc21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826435821 607588623 /nfs/dbraw/zinc/58/86/23/607588623.db2.gz YMXCJPBYTPEAFF-OAHLLOKOSA-N -1 3 399.458 3.038 20 0 GGADHM COc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1-c1nnn[n-]1 ZINC000826196306 607591271 /nfs/dbraw/zinc/59/12/71/607591271.db2.gz XPMJWIZQZMREFP-UHFFFAOYSA-N -1 3 395.438 3.143 20 0 GGADHM COc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1-c1nn[n-]n1 ZINC000826196306 607591272 /nfs/dbraw/zinc/59/12/72/607591272.db2.gz XPMJWIZQZMREFP-UHFFFAOYSA-N -1 3 395.438 3.143 20 0 GGADHM COc1ccc(CNC(=O)C(C)(C)c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826196268 607592286 /nfs/dbraw/zinc/59/22/86/607592286.db2.gz WFUJUKWNZUMSJD-UHFFFAOYSA-N -1 3 385.855 3.123 20 0 GGADHM COc1ccc(CNC(=O)C(C)(C)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826196268 607592288 /nfs/dbraw/zinc/59/22/88/607592288.db2.gz WFUJUKWNZUMSJD-UHFFFAOYSA-N -1 3 385.855 3.123 20 0 GGADHM COc1ccc(COC(=O)C2(c3cccc(F)c3)CCC2)cc1-c1nnn[n-]1 ZINC000826205498 607597358 /nfs/dbraw/zinc/59/73/58/607597358.db2.gz YLVRFNMOYHPHGI-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1ccc(COC(=O)C2(c3cccc(F)c3)CCC2)cc1-c1nn[n-]n1 ZINC000826205498 607597360 /nfs/dbraw/zinc/59/73/60/607597360.db2.gz YLVRFNMOYHPHGI-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1ccc(COC(=O)CCOc2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000826205179 607600157 /nfs/dbraw/zinc/60/01/57/607600157.db2.gz NBENHDYHIQRZDE-UHFFFAOYSA-N -1 3 382.420 3.004 20 0 GGADHM COc1ccc(COC(=O)CCOc2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000826205179 607600158 /nfs/dbraw/zinc/60/01/58/607600158.db2.gz NBENHDYHIQRZDE-UHFFFAOYSA-N -1 3 382.420 3.004 20 0 GGADHM COc1ccc(COC(=O)c2ccc3nc(Cl)ccc3c2)cc1-c1nnn[n-]1 ZINC000826206476 607601137 /nfs/dbraw/zinc/60/11/37/607601137.db2.gz VGNKYFQVBWHXBX-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1ccc(COC(=O)c2ccc3nc(Cl)ccc3c2)cc1-c1nn[n-]n1 ZINC000826206476 607601139 /nfs/dbraw/zinc/60/11/39/607601139.db2.gz VGNKYFQVBWHXBX-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM CN(CCC1CC1)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825918671 607601974 /nfs/dbraw/zinc/60/19/74/607601974.db2.gz IYEDFFHCVRJAGN-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM CN(CCC1CC1)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825918671 607601975 /nfs/dbraw/zinc/60/19/75/607601975.db2.gz IYEDFFHCVRJAGN-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM COCc1cccc(COC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000826164880 607602367 /nfs/dbraw/zinc/60/23/67/607602367.db2.gz VGKJJSXZHQFJRU-IBGZPJMESA-N -1 3 396.447 3.160 20 0 GGADHM COCc1cccc(COC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000826164880 607602369 /nfs/dbraw/zinc/60/23/69/607602369.db2.gz VGKJJSXZHQFJRU-IBGZPJMESA-N -1 3 396.447 3.160 20 0 GGADHM COc1ccc(COC(=O)c2cccn2Cc2cccs2)cc1-c1nnn[n-]1 ZINC000826206524 607602749 /nfs/dbraw/zinc/60/27/49/607602749.db2.gz XXEVQYVZEKVLTN-UHFFFAOYSA-N -1 3 395.444 3.144 20 0 GGADHM COc1ccc(COC(=O)c2cccn2Cc2cccs2)cc1-c1nn[n-]n1 ZINC000826206524 607602750 /nfs/dbraw/zinc/60/27/50/607602750.db2.gz XXEVQYVZEKVLTN-UHFFFAOYSA-N -1 3 395.444 3.144 20 0 GGADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825674023 607608588 /nfs/dbraw/zinc/60/85/88/607608588.db2.gz FJWOTVDSMIIDLP-GFCCVEGCSA-N -1 3 389.506 3.018 20 0 GGADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825674023 607608591 /nfs/dbraw/zinc/60/85/91/607608591.db2.gz FJWOTVDSMIIDLP-GFCCVEGCSA-N -1 3 389.506 3.018 20 0 GGADHM CC[C@@H](C)[C@H](C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825051839 607609704 /nfs/dbraw/zinc/60/97/04/607609704.db2.gz SSUGWTNFELYBLT-KUHUBIRLSA-N -1 3 379.464 3.321 20 0 GGADHM CC[C@@H](C)[C@H](C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825051839 607609706 /nfs/dbraw/zinc/60/97/06/607609706.db2.gz SSUGWTNFELYBLT-KUHUBIRLSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccc(COC(=O)Cc2coc3cc(F)ccc23)cc1-c1nnn[n-]1 ZINC000826205676 607611172 /nfs/dbraw/zinc/61/11/72/607611172.db2.gz HBPZHRHLUZORKI-UHFFFAOYSA-N -1 3 382.351 3.047 20 0 GGADHM COc1ccc(COC(=O)Cc2coc3cc(F)ccc23)cc1-c1nn[n-]n1 ZINC000826205676 607611174 /nfs/dbraw/zinc/61/11/74/607611174.db2.gz HBPZHRHLUZORKI-UHFFFAOYSA-N -1 3 382.351 3.047 20 0 GGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000826188500 607611488 /nfs/dbraw/zinc/61/14/88/607611488.db2.gz YSYCFMIXGKSGNO-ZDUSSCGKSA-N -1 3 382.420 3.121 20 0 GGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826188500 607611490 /nfs/dbraw/zinc/61/14/90/607611490.db2.gz YSYCFMIXGKSGNO-ZDUSSCGKSA-N -1 3 382.420 3.121 20 0 GGADHM COc1ccc(COC(=O)c2cccc(C(F)(F)F)c2F)cc1-c1nnn[n-]1 ZINC000826206342 607612688 /nfs/dbraw/zinc/61/26/88/607612688.db2.gz OKKSFSRUUBITIW-UHFFFAOYSA-N -1 3 396.300 3.390 20 0 GGADHM COc1ccc(COC(=O)c2cccc(C(F)(F)F)c2F)cc1-c1nn[n-]n1 ZINC000826206342 607612690 /nfs/dbraw/zinc/61/26/90/607612690.db2.gz OKKSFSRUUBITIW-UHFFFAOYSA-N -1 3 396.300 3.390 20 0 GGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826214600 607612890 /nfs/dbraw/zinc/61/28/90/607612890.db2.gz QVASAZVMDHSXJW-LCYFTJDESA-N -1 3 380.404 3.031 20 0 GGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826214600 607612892 /nfs/dbraw/zinc/61/28/92/607612892.db2.gz QVASAZVMDHSXJW-LCYFTJDESA-N -1 3 380.404 3.031 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)ns1 ZINC000826465234 607614439 /nfs/dbraw/zinc/61/44/39/607614439.db2.gz DYIISHRBXIOKLT-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)ns1 ZINC000826465234 607614440 /nfs/dbraw/zinc/61/44/40/607614440.db2.gz DYIISHRBXIOKLT-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM CCc1ncc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000825750846 607615113 /nfs/dbraw/zinc/61/51/13/607615113.db2.gz YSKZITXKMMTBJL-UHFFFAOYSA-N -1 3 387.403 3.264 20 0 GGADHM CCc1ncc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000825750846 607615114 /nfs/dbraw/zinc/61/51/14/607615114.db2.gz YSKZITXKMMTBJL-UHFFFAOYSA-N -1 3 387.403 3.264 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000825148704 607616758 /nfs/dbraw/zinc/61/67/58/607616758.db2.gz SFDCYJYFYPZDBS-SNVBAGLBSA-N -1 3 383.886 3.011 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000825148704 607616760 /nfs/dbraw/zinc/61/67/60/607616760.db2.gz SFDCYJYFYPZDBS-SNVBAGLBSA-N -1 3 383.886 3.011 20 0 GGADHM COc1ccc(CNC(=O)Nc2cccc(OCC(C)C)c2)cc1-c1nnn[n-]1 ZINC000826200173 607616791 /nfs/dbraw/zinc/61/67/91/607616791.db2.gz BGXAQNMKPMPAET-UHFFFAOYSA-N -1 3 396.451 3.232 20 0 GGADHM COc1ccc(CNC(=O)Nc2cccc(OCC(C)C)c2)cc1-c1nn[n-]n1 ZINC000826200173 607616793 /nfs/dbraw/zinc/61/67/93/607616793.db2.gz BGXAQNMKPMPAET-UHFFFAOYSA-N -1 3 396.451 3.232 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccccc2C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826200167 607616988 /nfs/dbraw/zinc/61/69/88/607616988.db2.gz BCGWAVHPESILLD-UHFFFAOYSA-N -1 3 380.452 3.495 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccccc2C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826200167 607616989 /nfs/dbraw/zinc/61/69/89/607616989.db2.gz BCGWAVHPESILLD-UHFFFAOYSA-N -1 3 380.452 3.495 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccc(CSC)cc2)cc1-c1nnn[n-]1 ZINC000826200426 607618608 /nfs/dbraw/zinc/61/86/08/607618608.db2.gz PFSZWDFGESQODY-UHFFFAOYSA-N -1 3 384.465 3.060 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccc(CSC)cc2)cc1-c1nn[n-]n1 ZINC000826200426 607618611 /nfs/dbraw/zinc/61/86/11/607618611.db2.gz PFSZWDFGESQODY-UHFFFAOYSA-N -1 3 384.465 3.060 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826197122 607624483 /nfs/dbraw/zinc/62/44/83/607624483.db2.gz ALAXQDPBTZHUJG-SFHVURJKSA-N -1 3 392.463 3.094 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826197122 607624485 /nfs/dbraw/zinc/62/44/85/607624485.db2.gz ALAXQDPBTZHUJG-SFHVURJKSA-N -1 3 392.463 3.094 20 0 GGADHM COc1ccc(CNC(=O)N(CC2CC2)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000826197792 607626433 /nfs/dbraw/zinc/62/64/33/607626433.db2.gz CXRSLNPXUJVXNS-UHFFFAOYSA-N -1 3 384.484 3.130 20 0 GGADHM COc1ccc(CNC(=O)N(CC2CC2)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826197792 607626434 /nfs/dbraw/zinc/62/64/34/607626434.db2.gz CXRSLNPXUJVXNS-UHFFFAOYSA-N -1 3 384.484 3.130 20 0 GGADHM COc1ccc(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1-c1nnn[n-]1 ZINC000826200821 607628121 /nfs/dbraw/zinc/62/81/21/607628121.db2.gz KHSYYBQYNXCYDD-UHFFFAOYSA-N -1 3 398.426 3.440 20 0 GGADHM COc1ccc(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1-c1nn[n-]n1 ZINC000826200821 607628122 /nfs/dbraw/zinc/62/81/22/607628122.db2.gz KHSYYBQYNXCYDD-UHFFFAOYSA-N -1 3 398.426 3.440 20 0 GGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc(-c2ccccn2)c1 ZINC000826483126 607645079 /nfs/dbraw/zinc/64/50/79/607645079.db2.gz BWNIMQBRUROVAS-UYRXBGFRSA-N -1 3 394.394 3.273 20 0 GGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc(-c2ccccn2)c1 ZINC000826483126 607645081 /nfs/dbraw/zinc/64/50/81/607645081.db2.gz BWNIMQBRUROVAS-UYRXBGFRSA-N -1 3 394.394 3.273 20 0 GGADHM O=C(Nc1cccc(O)c1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826457026 607645220 /nfs/dbraw/zinc/64/52/20/607645220.db2.gz JFISBOUDXSXAHB-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000826247043 607653255 /nfs/dbraw/zinc/65/32/55/607653255.db2.gz RVKGIBBHGJGCOS-NSHDSACASA-N -1 3 397.389 3.411 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000826247043 607653257 /nfs/dbraw/zinc/65/32/57/607653257.db2.gz RVKGIBBHGJGCOS-NSHDSACASA-N -1 3 397.389 3.411 20 0 GGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826316271 607650548 /nfs/dbraw/zinc/65/05/48/607650548.db2.gz ITJUYAQMXLVWSH-JKSUJKDBSA-N -1 3 399.545 3.390 20 0 GGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826316271 607650549 /nfs/dbraw/zinc/65/05/49/607650549.db2.gz ITJUYAQMXLVWSH-JKSUJKDBSA-N -1 3 399.545 3.390 20 0 GGADHM CCCN(Cc1cc(-c2nn[n-]n2)ccc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825313489 607650663 /nfs/dbraw/zinc/65/06/63/607650663.db2.gz HHNMRXDYMUXLOY-HNNXBMFYSA-N -1 3 394.479 3.115 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000826250267 607655423 /nfs/dbraw/zinc/65/54/23/607655423.db2.gz SDSVOMWISCUIOV-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000826250267 607655424 /nfs/dbraw/zinc/65/54/24/607655424.db2.gz SDSVOMWISCUIOV-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM C[C@H](c1ccccc1)n1cnnc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824770438 607657560 /nfs/dbraw/zinc/65/75/60/607657560.db2.gz KJUTYMYIEMMYSO-CYBMUJFWSA-N -1 3 391.460 3.043 20 0 GGADHM C[C@H](c1ccccc1)n1cnnc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824770438 607657563 /nfs/dbraw/zinc/65/75/63/607657563.db2.gz KJUTYMYIEMMYSO-CYBMUJFWSA-N -1 3 391.460 3.043 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000826246648 607660105 /nfs/dbraw/zinc/66/01/05/607660105.db2.gz IMLUJLQSYPXIIY-NSHDSACASA-N -1 3 386.253 3.429 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000826246648 607660107 /nfs/dbraw/zinc/66/01/07/607660107.db2.gz IMLUJLQSYPXIIY-NSHDSACASA-N -1 3 386.253 3.429 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC000826243436 607660264 /nfs/dbraw/zinc/66/02/64/607660264.db2.gz IPPASPHTSBIHJF-LBPRGKRZSA-N -1 3 399.455 3.023 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC000826243436 607660266 /nfs/dbraw/zinc/66/02/66/607660266.db2.gz IPPASPHTSBIHJF-LBPRGKRZSA-N -1 3 399.455 3.023 20 0 GGADHM O=C(Nc1nc2ccccc2s1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826460005 607674419 /nfs/dbraw/zinc/67/44/19/607674419.db2.gz JGGYORBAGJLYLF-UHFFFAOYSA-N -1 3 377.433 3.287 20 0 GGADHM O=C(Nc1nc2ccccc2s1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826460005 607674420 /nfs/dbraw/zinc/67/44/20/607674420.db2.gz JGGYORBAGJLYLF-UHFFFAOYSA-N -1 3 377.433 3.287 20 0 GGADHM COc1cc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1SC ZINC000826178677 607674957 /nfs/dbraw/zinc/67/49/57/607674957.db2.gz HWGZXYRWXHUXLJ-UHFFFAOYSA-N -1 3 383.477 3.178 20 0 GGADHM COc1cc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1SC ZINC000826178677 607674959 /nfs/dbraw/zinc/67/49/59/607674959.db2.gz HWGZXYRWXHUXLJ-UHFFFAOYSA-N -1 3 383.477 3.178 20 0 GGADHM CCOc1ccc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)sc2c1 ZINC000825649831 607679560 /nfs/dbraw/zinc/67/95/60/607679560.db2.gz ZDIRNXKJJIKUQH-UHFFFAOYSA-N -1 3 380.433 3.436 20 0 GGADHM CCOc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)sc2c1 ZINC000825649831 607679561 /nfs/dbraw/zinc/67/95/61/607679561.db2.gz ZDIRNXKJJIKUQH-UHFFFAOYSA-N -1 3 380.433 3.436 20 0 GGADHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(Br)c1 ZINC000826209483 607680995 /nfs/dbraw/zinc/68/09/95/607680995.db2.gz DRTPLCWJBCDEJF-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(Br)c1 ZINC000826209483 607680996 /nfs/dbraw/zinc/68/09/96/607680996.db2.gz DRTPLCWJBCDEJF-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc2c(c1)nccc2N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832487304 604271339 /nfs/dbraw/zinc/27/13/39/604271339.db2.gz WYMXUUQMMXZWEW-OAHLLOKOSA-N -1 3 383.429 3.221 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCc2c1cccc2Cl ZINC000826494414 607683692 /nfs/dbraw/zinc/68/36/92/607683692.db2.gz BAYQWHDXPVTBTK-AWEZNQCLSA-N -1 3 378.816 3.120 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCc2c1cccc2Cl ZINC000826494414 607683694 /nfs/dbraw/zinc/68/36/94/607683694.db2.gz BAYQWHDXPVTBTK-AWEZNQCLSA-N -1 3 378.816 3.120 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000826244987 607684735 /nfs/dbraw/zinc/68/47/35/607684735.db2.gz KAJUJQQHUXUION-UHFFFAOYSA-N -1 3 383.402 3.473 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000826244987 607684737 /nfs/dbraw/zinc/68/47/37/607684737.db2.gz KAJUJQQHUXUION-UHFFFAOYSA-N -1 3 383.402 3.473 20 0 GGADHM O=C([O-])CSCc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000833263227 604334487 /nfs/dbraw/zinc/33/44/87/604334487.db2.gz KQNHSJLHVTXMDF-UHFFFAOYSA-N -1 3 391.537 3.487 20 0 GGADHM Cc1cc(Cl)c(NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826267440 607686309 /nfs/dbraw/zinc/68/63/09/607686309.db2.gz GGVAMFYCGFWQTD-UHFFFAOYSA-N -1 3 391.262 3.210 20 0 GGADHM Cc1cc(Cl)c(NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826267440 607686310 /nfs/dbraw/zinc/68/63/10/607686310.db2.gz GGVAMFYCGFWQTD-UHFFFAOYSA-N -1 3 391.262 3.210 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000826471862 607686327 /nfs/dbraw/zinc/68/63/27/607686327.db2.gz PFMNGSPEFJJADN-OAHLLOKOSA-N -1 3 382.474 3.106 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000826471862 607686330 /nfs/dbraw/zinc/68/63/30/607686330.db2.gz PFMNGSPEFJJADN-OAHLLOKOSA-N -1 3 382.474 3.106 20 0 GGADHM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000833226605 604352988 /nfs/dbraw/zinc/35/29/88/604352988.db2.gz KDPNPKINXHINIW-NRFANRHFSA-N -1 3 395.503 3.187 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000826088827 604374724 /nfs/dbraw/zinc/37/47/24/604374724.db2.gz CDTJMHBDYNSNDQ-WOJBJXKFSA-N -1 3 395.503 3.262 20 0 GGADHM Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC000826288141 607690277 /nfs/dbraw/zinc/69/02/77/607690277.db2.gz SMXNZHZONQKOMX-UHFFFAOYSA-N -1 3 392.488 3.450 20 0 GGADHM Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC000826288141 607690279 /nfs/dbraw/zinc/69/02/79/607690279.db2.gz SMXNZHZONQKOMX-UHFFFAOYSA-N -1 3 392.488 3.450 20 0 GGADHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(Br)ccc1OC(F)F ZINC000827022415 604401971 /nfs/dbraw/zinc/40/19/71/604401971.db2.gz VJGNGDBWMBXYOB-LBPRGKRZSA-N -1 3 396.228 3.361 20 0 GGADHM O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826433418 607690720 /nfs/dbraw/zinc/69/07/20/607690720.db2.gz FVQIVRARRKYOSI-INIZCTEOSA-N -1 3 397.442 3.238 20 0 GGADHM O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826433418 607690721 /nfs/dbraw/zinc/69/07/21/607690721.db2.gz FVQIVRARRKYOSI-INIZCTEOSA-N -1 3 397.442 3.238 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1)C(=O)[O-] ZINC000827914690 604411312 /nfs/dbraw/zinc/41/13/12/604411312.db2.gz CRLXRZQDBHDKFR-OAHLLOKOSA-N -1 3 376.522 3.342 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2cc(OC)c(OC)cc2C)c1 ZINC000652379706 604453975 /nfs/dbraw/zinc/45/39/75/604453975.db2.gz FTHAGKFLHSVGEF-HXUWFJFHSA-N -1 3 389.448 3.287 20 0 GGADHM CN(C)[C@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000830580118 604455480 /nfs/dbraw/zinc/45/54/80/604455480.db2.gz DUNNLMFCWWKVHN-VQTJNVASSA-N -1 3 397.519 3.311 20 0 GGADHM CCOc1ccc([C@@H](C)NC(=O)CNC2(C(=O)[O-])CCCCCC2)cc1OC ZINC000833664582 604482015 /nfs/dbraw/zinc/48/20/15/604482015.db2.gz YHGHFZTUPZJXQU-OAHLLOKOSA-N -1 3 392.496 3.038 20 0 GGADHM C[C@H](Oc1ccc(CN(C)Cc2ccccc2N2CCOCC2)cc1)C(=O)[O-] ZINC000833537537 604523338 /nfs/dbraw/zinc/52/33/38/604523338.db2.gz KWZCPZOJFUNOTI-KRWDZBQOSA-N -1 3 384.476 3.007 20 0 GGADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829163347 604525171 /nfs/dbraw/zinc/52/51/71/604525171.db2.gz XFTZXXRSDNCUSD-GUDVDZBRSA-N -1 3 387.524 3.497 20 0 GGADHM Cc1nc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c(C)s1 ZINC000826323620 607696733 /nfs/dbraw/zinc/69/67/33/607696733.db2.gz LEYCAKLAGVAXNN-UHFFFAOYSA-N -1 3 393.432 3.380 20 0 GGADHM Cc1nc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c(C)s1 ZINC000826323620 607696734 /nfs/dbraw/zinc/69/67/34/607696734.db2.gz LEYCAKLAGVAXNN-UHFFFAOYSA-N -1 3 393.432 3.380 20 0 GGADHM Cc1cccc(COc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)c1 ZINC000826298429 607697913 /nfs/dbraw/zinc/69/79/13/607697913.db2.gz RTPWLUYEHYNQNU-UHFFFAOYSA-N -1 3 388.431 3.012 20 0 GGADHM Cc1cccc(COc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)c1 ZINC000826298429 607697914 /nfs/dbraw/zinc/69/79/14/607697914.db2.gz RTPWLUYEHYNQNU-UHFFFAOYSA-N -1 3 388.431 3.012 20 0 GGADHM Cc1cc([C@@H](C)OC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)oc1C(=O)[O-] ZINC000832871635 604572837 /nfs/dbraw/zinc/57/28/37/604572837.db2.gz CQJIRNCECHPSTJ-ZYHUDNBSSA-N -1 3 393.342 3.222 20 0 GGADHM Cc1cc([C@H](C)OC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)oc1C(=O)[O-] ZINC000832871629 604573109 /nfs/dbraw/zinc/57/31/09/604573109.db2.gz CQJIRNCECHPSTJ-JQWIXIFHSA-N -1 3 393.342 3.222 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000826250899 607699453 /nfs/dbraw/zinc/69/94/53/607699453.db2.gz YDEUQJHAMLDVRK-UHFFFAOYSA-N -1 3 393.447 3.312 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000826250899 607699456 /nfs/dbraw/zinc/69/94/56/607699456.db2.gz YDEUQJHAMLDVRK-UHFFFAOYSA-N -1 3 393.447 3.312 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1)C(=O)[O-] ZINC000833613699 604581670 /nfs/dbraw/zinc/58/16/70/604581670.db2.gz CFXHNLGKVGGIBL-DLBZAZTESA-N -1 3 388.508 3.009 20 0 GGADHM O=C([O-])c1cccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000821550378 604586881 /nfs/dbraw/zinc/58/68/81/604586881.db2.gz BOTKFZHPAITIGY-IBGZPJMESA-N -1 3 390.443 3.281 20 0 GGADHM O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000821545908 604586935 /nfs/dbraw/zinc/58/69/35/604586935.db2.gz LPRKNZNTYVCCDL-IBGZPJMESA-N -1 3 390.443 3.281 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000826471420 607701862 /nfs/dbraw/zinc/70/18/62/607701862.db2.gz YUFUNZOAVCBSJF-CQSZACIVSA-N -1 3 377.235 3.479 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000826471420 607701864 /nfs/dbraw/zinc/70/18/64/607701864.db2.gz YUFUNZOAVCBSJF-CQSZACIVSA-N -1 3 377.235 3.479 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825210860 607702243 /nfs/dbraw/zinc/70/22/43/607702243.db2.gz JVISJAADUNZRQN-QGZVFWFLSA-N -1 3 376.464 3.046 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825210860 607702245 /nfs/dbraw/zinc/70/22/45/607702245.db2.gz JVISJAADUNZRQN-QGZVFWFLSA-N -1 3 376.464 3.046 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833615493 604606731 /nfs/dbraw/zinc/60/67/31/604606731.db2.gz FDWYMNAQIJVJCS-SFHVURJKSA-N -1 3 395.503 3.233 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833541533 604610612 /nfs/dbraw/zinc/61/06/12/604610612.db2.gz NKSHUQVPNMYNCS-DOTOQJQBSA-N -1 3 392.496 3.275 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439248 604615165 /nfs/dbraw/zinc/61/51/65/604615165.db2.gz LOLLKOWHGQXRBZ-SJORKVTESA-N -1 3 377.485 3.467 20 0 GGADHM Cc1cc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nn1C ZINC000826271252 607703406 /nfs/dbraw/zinc/70/34/06/607703406.db2.gz JWYDHZPVJUIABX-UHFFFAOYSA-N -1 3 375.436 3.100 20 0 GGADHM Cc1cc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nn1C ZINC000826271252 607703409 /nfs/dbraw/zinc/70/34/09/607703409.db2.gz JWYDHZPVJUIABX-UHFFFAOYSA-N -1 3 375.436 3.100 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540843 604622469 /nfs/dbraw/zinc/62/24/69/604622469.db2.gz LKAXNHNQBWSJJM-MJGOQNOKSA-N -1 3 396.487 3.181 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1)C(=O)[O-] ZINC000833540935 604623047 /nfs/dbraw/zinc/62/30/47/604623047.db2.gz LYEBRZDXPWFXOQ-HNNXBMFYSA-N -1 3 398.459 3.095 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccccc1OC(F)(F)F ZINC000826249297 607703580 /nfs/dbraw/zinc/70/35/80/607703580.db2.gz VAAVXZKQJFUSSN-UHFFFAOYSA-N -1 3 391.353 3.046 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccccc1OC(F)(F)F ZINC000826249297 607703582 /nfs/dbraw/zinc/70/35/82/607703582.db2.gz VAAVXZKQJFUSSN-UHFFFAOYSA-N -1 3 391.353 3.046 20 0 GGADHM CN(Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-])CC(C)(CO)CO ZINC000830875062 604648826 /nfs/dbraw/zinc/64/88/26/604648826.db2.gz RPJKSZSNHGNKOH-UHFFFAOYSA-N -1 3 394.471 3.023 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833638800 604653548 /nfs/dbraw/zinc/65/35/48/604653548.db2.gz VNRRIVHQGLBZSZ-LJQANCHMSA-N -1 3 391.855 3.209 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833638799 604653745 /nfs/dbraw/zinc/65/37/45/604653745.db2.gz VNRRIVHQGLBZSZ-IBGZPJMESA-N -1 3 391.855 3.209 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cnc2ccc(Br)cn12 ZINC000263496604 604679556 /nfs/dbraw/zinc/67/95/56/604679556.db2.gz JUQRETGMKRAFKY-CQDKDKBSSA-N -1 3 378.270 3.315 20 0 GGADHM Cc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c(C)c1O ZINC000826290136 607707480 /nfs/dbraw/zinc/70/74/80/607707480.db2.gz CDCCQMRJIPQOQB-GOSISDBHSA-N -1 3 381.436 3.231 20 0 GGADHM Cc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c(C)c1O ZINC000826290136 607707482 /nfs/dbraw/zinc/70/74/82/607707482.db2.gz CDCCQMRJIPQOQB-GOSISDBHSA-N -1 3 381.436 3.231 20 0 GGADHM CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000262143123 604684660 /nfs/dbraw/zinc/68/46/60/604684660.db2.gz IWLIASKPQNHANQ-UHFFFAOYSA-N -1 3 380.488 3.271 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC[NH+]2CCCC2)c1 ZINC000833747861 604702717 /nfs/dbraw/zinc/70/27/17/604702717.db2.gz MGMYMLKNVVYAJK-UHFFFAOYSA-N -1 3 388.489 3.132 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264349 604744005 /nfs/dbraw/zinc/74/40/05/604744005.db2.gz ABIMNFNWTVFVMD-OXQOHEQNSA-N -1 3 388.508 3.324 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264348 604744293 /nfs/dbraw/zinc/74/42/93/604744293.db2.gz ABIMNFNWTVFVMD-OXJNMPFZSA-N -1 3 388.508 3.324 20 0 GGADHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000833770765 604760409 /nfs/dbraw/zinc/76/04/09/604760409.db2.gz NBCWUGKMRSPDFI-QGZVFWFLSA-N -1 3 394.265 3.367 20 0 GGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000833286360 604760620 /nfs/dbraw/zinc/76/06/20/604760620.db2.gz QSXUSMYVJDFIHR-IBGZPJMESA-N -1 3 381.476 3.347 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833615359 604770224 /nfs/dbraw/zinc/77/02/24/604770224.db2.gz BONWTJUAGMKSDS-SFHVURJKSA-N -1 3 380.488 3.440 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC000833544500 604773041 /nfs/dbraw/zinc/77/30/41/604773041.db2.gz YTKSLUUARCEPSA-ZOBUZTSGSA-N -1 3 392.496 3.416 20 0 GGADHM CC[C@@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082081 607714581 /nfs/dbraw/zinc/71/45/81/607714581.db2.gz PZNVAJOYBGEBJD-AWEZNQCLSA-N -1 3 394.431 3.185 20 0 GGADHM CC[C@@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082081 607714583 /nfs/dbraw/zinc/71/45/83/607714583.db2.gz PZNVAJOYBGEBJD-AWEZNQCLSA-N -1 3 394.431 3.185 20 0 GGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000833551325 604794778 /nfs/dbraw/zinc/79/47/78/604794778.db2.gz SMWRDUNUISTZOA-MRXNPFEDSA-N -1 3 381.476 3.054 20 0 GGADHM C[C@@]1(NCc2csc(CC(=O)Nc3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833571437 604820875 /nfs/dbraw/zinc/82/08/75/604820875.db2.gz ZCBSVFAPEXMMRS-OXJNMPFZSA-N -1 3 387.505 3.447 20 0 GGADHM CN(c1nc(Cl)c(C(=O)[O-])s1)C1CCN(CCc2ccccn2)CC1 ZINC000833697415 604826704 /nfs/dbraw/zinc/82/67/04/604826704.db2.gz GHYBJJNJFVLFBQ-UHFFFAOYSA-N -1 3 380.901 3.033 20 0 GGADHM C[C@H]1C[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000833600594 604841370 /nfs/dbraw/zinc/84/13/70/604841370.db2.gz MDAQVGADFHJMTR-KKSFZXQISA-N -1 3 393.487 3.116 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824352778 607719062 /nfs/dbraw/zinc/71/90/62/607719062.db2.gz MYDDUYPVLXPMBW-UHFFFAOYSA-N -1 3 394.431 3.185 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824352778 607719064 /nfs/dbraw/zinc/71/90/64/607719064.db2.gz MYDDUYPVLXPMBW-UHFFFAOYSA-N -1 3 394.431 3.185 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCc3sccc32)CCCN(Cc2ccccc2)C1 ZINC000833128332 604887423 /nfs/dbraw/zinc/88/74/23/604887423.db2.gz DFBNQAFXLCMMGJ-XMSQKQJNSA-N -1 3 398.528 3.404 20 0 GGADHM Cc1oc(NC(=O)COC(=O)CC2CCC(C)(C)CC2)c(-c2nnn[n-]2)c1C ZINC000826342771 607721336 /nfs/dbraw/zinc/72/13/36/607721336.db2.gz YZJATKCMBWWIDK-UHFFFAOYSA-N -1 3 389.456 3.165 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CN1Cc1ccccc1 ZINC000833599314 604924096 /nfs/dbraw/zinc/92/40/96/604924096.db2.gz DBXVGWXPPQRZMK-BBRMVZONSA-N -1 3 393.447 3.046 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc(OC)c1 ZINC000829666786 604924662 /nfs/dbraw/zinc/92/46/62/604924662.db2.gz SHRZYYZCJHYNCA-IBGZPJMESA-N -1 3 388.439 3.345 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000833421685 604932371 /nfs/dbraw/zinc/93/23/71/604932371.db2.gz YGAMYNVHXWVMST-LBPRGKRZSA-N -1 3 388.386 3.347 20 0 GGADHM C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409929 604937036 /nfs/dbraw/zinc/93/70/36/604937036.db2.gz SWEQTSLJRKIUOY-SJORKVTESA-N -1 3 387.524 3.437 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000833420898 604937059 /nfs/dbraw/zinc/93/70/59/604937059.db2.gz BQODPPSIWSBPOX-IBGZPJMESA-N -1 3 386.536 3.437 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409564 604942244 /nfs/dbraw/zinc/94/22/44/604942244.db2.gz OVIKLRPFZHDOHI-CHWSQXEVSA-N -1 3 384.423 3.438 20 0 GGADHM CC(C)OCc1ccc(CNC(=O)CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833505882 604946182 /nfs/dbraw/zinc/94/61/82/604946182.db2.gz WLSFRSVVOFMGSS-IBGZPJMESA-N -1 3 390.524 3.051 20 0 GGADHM CC(C)(NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000833460444 604946245 /nfs/dbraw/zinc/94/62/45/604946245.db2.gz CXISDRNMHHNPEH-GOSISDBHSA-N -1 3 386.879 3.203 20 0 GGADHM CC(C)(NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000833460445 604946461 /nfs/dbraw/zinc/94/64/61/604946461.db2.gz CXISDRNMHHNPEH-SFHVURJKSA-N -1 3 386.879 3.203 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(COc2ccc(F)cc2)no1 ZINC000248562491 604963317 /nfs/dbraw/zinc/96/33/17/604963317.db2.gz OBNYROXPBYASKG-KCXAZCMYSA-N -1 3 375.400 3.005 20 0 GGADHM CN(C(=O)CN1CCC[C@@H]1CC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000833684566 604968575 /nfs/dbraw/zinc/96/85/75/604968575.db2.gz JELZUUDQNSKZTC-KNQAVFIVSA-N -1 3 384.451 3.313 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000833413693 604975650 /nfs/dbraw/zinc/97/56/50/604975650.db2.gz FILYEJQKEQWARP-OALUTQOASA-N -1 3 387.524 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000833417279 604985384 /nfs/dbraw/zinc/98/53/84/604985384.db2.gz OEPBWYLXMSXWII-OALUTQOASA-N -1 3 387.524 3.183 20 0 GGADHM O=C([O-])[C@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccnc1 ZINC000833169020 604998994 /nfs/dbraw/zinc/99/89/94/604998994.db2.gz BOVWHTFUEHQCRW-OAQYLSRUSA-N -1 3 385.427 3.245 20 0 GGADHM C[C@]1(NCc2nnc(-c3ccc(Br)o3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569893 605060100 /nfs/dbraw/zinc/06/01/00/605060100.db2.gz QEOCUPMPJTVSDN-PSLIRLAXSA-N -1 3 384.230 3.215 20 0 GGADHM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459275 607731907 /nfs/dbraw/zinc/73/19/07/607731907.db2.gz CKOHIAUMPGTHHU-UHFFFAOYSA-N -1 3 377.433 3.059 20 0 GGADHM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459275 607731908 /nfs/dbraw/zinc/73/19/08/607731908.db2.gz CKOHIAUMPGTHHU-UHFFFAOYSA-N -1 3 377.433 3.059 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](C)c2ccc(C)cc2C)cc(C(=O)[O-])c1 ZINC000833715252 605068618 /nfs/dbraw/zinc/06/86/18/605068618.db2.gz QRFLHIOUJPRQSA-CQSZACIVSA-N -1 3 384.432 3.078 20 0 GGADHM O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826507711 607732218 /nfs/dbraw/zinc/73/22/18/607732218.db2.gz VECDFYNWAHORMS-BBRMVZONSA-N -1 3 393.344 3.337 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](C)c2ccc(C)c(C)c2)cc(C(=O)[O-])c1 ZINC000833714701 605070760 /nfs/dbraw/zinc/07/07/60/605070760.db2.gz JJXULXBDBNKANQ-CQSZACIVSA-N -1 3 384.432 3.078 20 0 GGADHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cccc(Br)c1OC(F)F ZINC000833505977 605074184 /nfs/dbraw/zinc/07/41/84/605074184.db2.gz PSAIJZFLYLLCPN-LBPRGKRZSA-N -1 3 396.228 3.361 20 0 GGADHM CC[C@@H](NCc1cc(C(=O)[O-])sc1C)c1ccccc1OCC(=O)N(C)C ZINC000833643766 605079524 /nfs/dbraw/zinc/07/95/24/605079524.db2.gz GNLVIZZPHMADSP-MRXNPFEDSA-N -1 3 390.505 3.463 20 0 GGADHM CCC(CC)(CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(=O)[O-] ZINC000382622197 605096539 /nfs/dbraw/zinc/09/65/39/605096539.db2.gz FKWWDIOEMROTAL-KRWDZBQOSA-N -1 3 375.513 3.183 20 0 GGADHM CC(C)N(CCN(C)C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833498776 605097674 /nfs/dbraw/zinc/09/76/74/605097674.db2.gz WMWOQZNRUFLBNW-UHFFFAOYSA-N -1 3 390.253 3.090 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833440458 605103322 /nfs/dbraw/zinc/10/33/22/605103322.db2.gz YVDXZQNJUFVCOE-YOEHRIQHSA-N -1 3 377.485 3.324 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833440456 605103421 /nfs/dbraw/zinc/10/34/21/605103421.db2.gz YVDXZQNJUFVCOE-RHSMWYFYSA-N -1 3 377.485 3.324 20 0 GGADHM O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000826506464 607734793 /nfs/dbraw/zinc/73/47/93/607734793.db2.gz UZWBTUUOOAVVTL-XIKOKIGWSA-N -1 3 394.385 3.005 20 0 GGADHM O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000826506464 607734794 /nfs/dbraw/zinc/73/47/94/607734794.db2.gz UZWBTUUOOAVVTL-XIKOKIGWSA-N -1 3 394.385 3.005 20 0 GGADHM CC(C)CCOc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833483584 605121431 /nfs/dbraw/zinc/12/14/31/605121431.db2.gz CYXFTDNCVGPRKA-IAGOWNOFSA-N -1 3 390.524 3.474 20 0 GGADHM O[C@@]1(CN(Cc2ccccc2)c2ncccc2-c2nnn[n-]2)CCc2ccccc21 ZINC000826506130 607737935 /nfs/dbraw/zinc/73/79/35/607737935.db2.gz NIQSIFFAMYMXPR-HSZRJFAPSA-N -1 3 398.470 3.102 20 0 GGADHM O[C@@]1(CN(Cc2ccccc2)c2ncccc2-c2nn[n-]n2)CCc2ccccc21 ZINC000826506130 607737936 /nfs/dbraw/zinc/73/79/36/607737936.db2.gz NIQSIFFAMYMXPR-HSZRJFAPSA-N -1 3 398.470 3.102 20 0 GGADHM CC(C)COc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833490440 605173171 /nfs/dbraw/zinc/17/31/71/605173171.db2.gz IHGCTIIZAURDSV-HZPDHXFCSA-N -1 3 376.497 3.084 20 0 GGADHM CN(C(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686541 605174343 /nfs/dbraw/zinc/17/43/43/605174343.db2.gz YYPKGCDFTWRUIH-LPHOPBHVSA-N -1 3 382.460 3.105 20 0 GGADHM CC(C)Cc1nnc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000833493864 605181136 /nfs/dbraw/zinc/18/11/36/605181136.db2.gz OAMHZAJFSCMARH-INIZCTEOSA-N -1 3 390.509 3.117 20 0 GGADHM CC(C)CNC(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833488560 605200808 /nfs/dbraw/zinc/20/08/08/605200808.db2.gz QPYFPILSOUCQBQ-INIZCTEOSA-N -1 3 397.313 3.059 20 0 GGADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[NH2+][C@H](C)c1ccccc1 ZINC000833477685 605201756 /nfs/dbraw/zinc/20/17/56/605201756.db2.gz LWNMSCREOLODJW-PBHICJAKSA-N -1 3 394.493 3.022 20 0 GGADHM CN(CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833693588 605210486 /nfs/dbraw/zinc/21/04/86/605210486.db2.gz GDEXYPUALOYCKI-CYBMUJFWSA-N -1 3 387.274 3.031 20 0 GGADHM CC(C)c1cnc(CN(C)[C@H]2CCN(CCOc3ccccc3C(=O)[O-])C2)o1 ZINC000768786480 605213353 /nfs/dbraw/zinc/21/33/53/605213353.db2.gz WUCRHBOUVVVQLR-INIZCTEOSA-N -1 3 387.480 3.081 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccccc1C(=O)[O-] ZINC000833600683 605217848 /nfs/dbraw/zinc/21/78/48/605217848.db2.gz MSTDHPWZRFWOJR-HUUCEWRRSA-N -1 3 378.469 3.141 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1C(=O)[O-] ZINC000833436260 605222269 /nfs/dbraw/zinc/22/22/69/605222269.db2.gz FGQJUUXHSTURFH-CVEARBPZSA-N -1 3 378.444 3.498 20 0 GGADHM CN(Cc1cc2c(cc1Br)OCCCO2)C1(C(=O)[O-])CCCC1 ZINC000833694001 605242160 /nfs/dbraw/zinc/24/21/60/605242160.db2.gz DVAKIQZENKLWBC-UHFFFAOYSA-N -1 3 384.270 3.440 20 0 GGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826233623 607743626 /nfs/dbraw/zinc/74/36/26/607743626.db2.gz PBDGNBZVNCJFSP-UHFFFAOYSA-N -1 3 396.838 3.119 20 0 GGADHM CC(C)C(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463663 605264293 /nfs/dbraw/zinc/26/42/93/605264293.db2.gz PCTXAXSGWSEKCM-CZUORRHYSA-N -1 3 386.414 3.315 20 0 GGADHM CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC000833659621 605266869 /nfs/dbraw/zinc/26/68/69/605266869.db2.gz DDQVDRQOVDYUAJ-BZUAXINKSA-N -1 3 387.398 3.083 20 0 GGADHM CC(C)N1C(=O)C[C@H](NCc2c[nH]c(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833500548 605267580 /nfs/dbraw/zinc/26/75/80/605267580.db2.gz LXRKNSQKEBLGDD-MAUKXSAKSA-N -1 3 393.846 3.346 20 0 GGADHM C[C@]1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCC[C@H]1C(=O)[O-] ZINC000833566620 605273065 /nfs/dbraw/zinc/27/30/65/605273065.db2.gz BQVIUSFTWLWTAS-MDKPJZGXSA-N -1 3 376.472 3.187 20 0 GGADHM COc1ccccc1NC(=O)C1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833736545 605295311 /nfs/dbraw/zinc/29/53/11/605295311.db2.gz ORXFLGJIFYSYDB-UHFFFAOYSA-N -1 3 398.459 3.009 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccc(OCC(=O)[O-])cc2)C2CC2)C1 ZINC000833436198 605298629 /nfs/dbraw/zinc/29/86/29/605298629.db2.gz FZYMGDCYBIWJJY-QGZVFWFLSA-N -1 3 390.480 3.124 20 0 GGADHM CC(C)N1C(=O)C[C@@H](NCc2ccc(C(=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833499382 605312824 /nfs/dbraw/zinc/31/28/24/605312824.db2.gz GGWZHFRMSVTAIV-AEFFLSMTSA-N -1 3 393.846 3.346 20 0 GGADHM CC(C)N1C(=O)C[C@@H](NCc2ccc(C(=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833499388 605312978 /nfs/dbraw/zinc/31/29/78/605312978.db2.gz GGWZHFRMSVTAIV-SJLPKXTDSA-N -1 3 393.846 3.346 20 0 GGADHM COc1cc(OC)c(CCN[C@H](C(=O)[O-])c2c(F)cccc2Cl)c(OC)c1 ZINC000833729756 605359109 /nfs/dbraw/zinc/35/91/09/605359109.db2.gz YSFQRYJRKUYZIM-SFHVURJKSA-N -1 3 397.830 3.463 20 0 GGADHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833650226 605361643 /nfs/dbraw/zinc/36/16/43/605361643.db2.gz YKHDJSWTSJKMRQ-PJQXDXOGSA-N -1 3 382.863 3.232 20 0 GGADHM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833649644 605362008 /nfs/dbraw/zinc/36/20/08/605362008.db2.gz RYVCCBMDQBOERV-VMGRFDJRSA-N -1 3 384.879 3.478 20 0 GGADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583608 605369521 /nfs/dbraw/zinc/36/95/21/605369521.db2.gz JEGMVPHUZGGJJC-QWRGUYRKSA-N -1 3 376.400 3.489 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000833405306 605424676 /nfs/dbraw/zinc/42/46/76/605424676.db2.gz YYYZRCCHKJHYRY-BBRMVZONSA-N -1 3 398.425 3.206 20 0 GGADHM C[C@@]1(NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CCO[C@H]1C1CC1 ZINC000833568108 605446535 /nfs/dbraw/zinc/44/65/35/605446535.db2.gz DPAKWSWFNOJPLY-DOTOQJQBSA-N -1 3 387.263 3.177 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@]3(C)CCO[C@H]3C3CC3)c2C(=O)[O-])C1 ZINC000833617278 605447907 /nfs/dbraw/zinc/44/79/07/605447907.db2.gz QRPHEXXISABZAQ-CGQHOMIXSA-N -1 3 392.521 3.057 20 0 GGADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000833463373 605474168 /nfs/dbraw/zinc/47/41/68/605474168.db2.gz RPKTXAYWFSIKFI-UHFFFAOYSA-N -1 3 396.487 3.085 20 0 GGADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000833462784 605474530 /nfs/dbraw/zinc/47/45/30/605474530.db2.gz JUOSRUITCRHVHA-UHFFFAOYSA-N -1 3 383.448 3.158 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)c(CC)o2)cc1-c1nnn[n-]1 ZINC000825545205 607759848 /nfs/dbraw/zinc/75/98/48/607759848.db2.gz NFLYRXQVYYBWNY-UHFFFAOYSA-N -1 3 384.396 3.151 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)c(CC)o2)cc1-c1nn[n-]n1 ZINC000825545205 607759849 /nfs/dbraw/zinc/75/98/49/607759849.db2.gz NFLYRXQVYYBWNY-UHFFFAOYSA-N -1 3 384.396 3.151 20 0 GGADHM CCOc1ccc(C[C@H](CNCc2c(Cl)nc(Cl)n2C)C(=O)[O-])cc1 ZINC000833664501 605519832 /nfs/dbraw/zinc/51/98/32/605519832.db2.gz UPIARHSKOFJMJA-GFCCVEGCSA-N -1 3 386.279 3.159 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000825545036 607761307 /nfs/dbraw/zinc/76/13/07/607761307.db2.gz LHNCBHPDGOLZJS-UHFFFAOYSA-N -1 3 386.799 3.341 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000825545036 607761308 /nfs/dbraw/zinc/76/13/08/607761308.db2.gz LHNCBHPDGOLZJS-UHFFFAOYSA-N -1 3 386.799 3.341 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1-c1nnn[n-]1 ZINC000825545637 607761572 /nfs/dbraw/zinc/76/15/72/607761572.db2.gz URTFIGBDFUBKBW-UHFFFAOYSA-N -1 3 384.396 3.206 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1-c1nn[n-]n1 ZINC000825545637 607761573 /nfs/dbraw/zinc/76/15/73/607761573.db2.gz URTFIGBDFUBKBW-UHFFFAOYSA-N -1 3 384.396 3.206 20 0 GGADHM CCCCN(C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)C1CC1 ZINC000825281898 607765951 /nfs/dbraw/zinc/76/59/51/607765951.db2.gz MTXCAQVRAXFYLU-UHFFFAOYSA-N -1 3 387.444 3.232 20 0 GGADHM CCCCN(C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)C1CC1 ZINC000825281898 607765952 /nfs/dbraw/zinc/76/59/52/607765952.db2.gz MTXCAQVRAXFYLU-UHFFFAOYSA-N -1 3 387.444 3.232 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000825538367 607766232 /nfs/dbraw/zinc/76/62/32/607766232.db2.gz FVWZTMAHLKWUCZ-LBPRGKRZSA-N -1 3 387.444 3.232 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000825538367 607766233 /nfs/dbraw/zinc/76/62/33/607766233.db2.gz FVWZTMAHLKWUCZ-LBPRGKRZSA-N -1 3 387.444 3.232 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826268935 607768165 /nfs/dbraw/zinc/76/81/65/607768165.db2.gz UCJPIUQAFGZVPU-UHFFFAOYSA-N -1 3 391.479 3.360 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826268935 607768166 /nfs/dbraw/zinc/76/81/66/607768166.db2.gz UCJPIUQAFGZVPU-UHFFFAOYSA-N -1 3 391.479 3.360 20 0 GGADHM Cc1cccc(CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826297696 607769663 /nfs/dbraw/zinc/76/96/63/607769663.db2.gz PDAAJLSMKONIKK-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1cccc(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826297696 607769664 /nfs/dbraw/zinc/76/96/64/607769664.db2.gz PDAAJLSMKONIKK-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM O=C(C=Cc1cccnc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826403332 607769840 /nfs/dbraw/zinc/76/98/40/607769840.db2.gz PCNVEXABRILZIL-SREVYHEPSA-N -1 3 375.417 3.037 20 0 GGADHM O=C(C=Cc1cccnc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826403332 607769841 /nfs/dbraw/zinc/76/98/41/607769841.db2.gz PCNVEXABRILZIL-SREVYHEPSA-N -1 3 375.417 3.037 20 0 GGADHM O=C(COc1ccccc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826418399 607770027 /nfs/dbraw/zinc/77/00/27/607770027.db2.gz DZXGSIZALSRXGE-UHFFFAOYSA-N -1 3 378.417 3.008 20 0 GGADHM O=C(COc1ccccc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826418399 607770028 /nfs/dbraw/zinc/77/00/28/607770028.db2.gz DZXGSIZALSRXGE-UHFFFAOYSA-N -1 3 378.417 3.008 20 0 GGADHM CCOc1cccnc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825659072 607770193 /nfs/dbraw/zinc/77/01/93/607770193.db2.gz NOHUTXHHTMKQKZ-UHFFFAOYSA-N -1 3 393.432 3.036 20 0 GGADHM CCOc1cccnc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825659072 607770194 /nfs/dbraw/zinc/77/01/94/607770194.db2.gz NOHUTXHHTMKQKZ-UHFFFAOYSA-N -1 3 393.432 3.036 20 0 GGADHM COc1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826214765 607770557 /nfs/dbraw/zinc/77/05/57/607770557.db2.gz WJDRIBVABXQBFN-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826214765 607770558 /nfs/dbraw/zinc/77/05/58/607770558.db2.gz WJDRIBVABXQBFN-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCCCCCC2)cc1-c1nnn[n-]1 ZINC000825538146 607766170 /nfs/dbraw/zinc/76/61/70/607766170.db2.gz AIIPQAHBWQEEFY-UHFFFAOYSA-N -1 3 387.444 3.233 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCCCCCC2)cc1-c1nn[n-]n1 ZINC000825538146 607766171 /nfs/dbraw/zinc/76/61/71/607766171.db2.gz AIIPQAHBWQEEFY-UHFFFAOYSA-N -1 3 387.444 3.233 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826408511 607771306 /nfs/dbraw/zinc/77/13/06/607771306.db2.gz JHVPKXVXIQFZLS-MRXNPFEDSA-N -1 3 397.866 3.133 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826408511 607771307 /nfs/dbraw/zinc/77/13/07/607771307.db2.gz JHVPKXVXIQFZLS-MRXNPFEDSA-N -1 3 397.866 3.133 20 0 GGADHM O=C(Cc1ccc(F)c(F)c1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826422645 607771347 /nfs/dbraw/zinc/77/13/47/607771347.db2.gz HFEDQSIHFOECRE-UHFFFAOYSA-N -1 3 398.398 3.450 20 0 GGADHM O=C(Cc1ccc(F)c(F)c1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826422645 607771348 /nfs/dbraw/zinc/77/13/48/607771348.db2.gz HFEDQSIHFOECRE-UHFFFAOYSA-N -1 3 398.398 3.450 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc2occc2[nH]1 ZINC000826459799 607771562 /nfs/dbraw/zinc/77/15/62/607771562.db2.gz ZRTZGSTVKDLQPQ-UHFFFAOYSA-N -1 3 377.389 3.317 20 0 GGADHM CC(C)Nc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820136652 606024072 /nfs/dbraw/zinc/02/40/72/606024072.db2.gz AFHVCOQRFOSBSI-LBPRGKRZSA-N -1 3 384.415 3.232 20 0 GGADHM CC(C)Nc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820136652 606024076 /nfs/dbraw/zinc/02/40/76/606024076.db2.gz AFHVCOQRFOSBSI-LBPRGKRZSA-N -1 3 384.415 3.232 20 0 GGADHM Cc1noc(C(F)F)c1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822519830 606055535 /nfs/dbraw/zinc/05/55/35/606055535.db2.gz MQFQDCGKTSDJIX-UHFFFAOYSA-N -1 3 380.380 3.293 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820364628 606057343 /nfs/dbraw/zinc/05/73/43/606057343.db2.gz CEVOOGKIPGENBQ-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820364628 606057349 /nfs/dbraw/zinc/05/73/49/606057349.db2.gz CEVOOGKIPGENBQ-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM O=C(Nc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1)c1ccc(F)cc1 ZINC000823323303 606063315 /nfs/dbraw/zinc/06/33/15/606063315.db2.gz KDFGPLNFRXKVMW-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(Nc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1)c1ccc(F)cc1 ZINC000823323303 606063321 /nfs/dbraw/zinc/06/33/21/606063321.db2.gz KDFGPLNFRXKVMW-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1nc3ccccc3cc1-c1nnn[n-]1)C2 ZINC000819957567 606066026 /nfs/dbraw/zinc/06/60/26/606066026.db2.gz BEWBUKCBGSTWSD-CQSZACIVSA-N -1 3 388.479 3.336 20 0 GGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1nc3ccccc3cc1-c1nn[n-]n1)C2 ZINC000819957567 606066030 /nfs/dbraw/zinc/06/60/30/606066030.db2.gz BEWBUKCBGSTWSD-CQSZACIVSA-N -1 3 388.479 3.336 20 0 GGADHM Fc1ccc([C@@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)cc1F ZINC000822766687 606069604 /nfs/dbraw/zinc/06/96/04/606069604.db2.gz NFLBSGXSFYMLFX-SFHVURJKSA-N -1 3 394.385 3.271 20 0 GGADHM Fc1ccc([C@@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)cc1F ZINC000822766687 606069608 /nfs/dbraw/zinc/06/96/08/606069608.db2.gz NFLBSGXSFYMLFX-SFHVURJKSA-N -1 3 394.385 3.271 20 0 GGADHM Fc1cc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)c(Cl)cc1Cl ZINC000822748082 606078404 /nfs/dbraw/zinc/07/84/04/606078404.db2.gz GSGCDXIBZUSMHA-HNNXBMFYSA-N -1 3 395.225 3.286 20 0 GGADHM Fc1cc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)c(Cl)cc1Cl ZINC000822748082 606078408 /nfs/dbraw/zinc/07/84/08/606078408.db2.gz GSGCDXIBZUSMHA-HNNXBMFYSA-N -1 3 395.225 3.286 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000820178247 606085697 /nfs/dbraw/zinc/08/56/97/606085697.db2.gz MPFLIBJSJYREDO-IBGZPJMESA-N -1 3 390.447 3.348 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000820178247 606085702 /nfs/dbraw/zinc/08/57/02/606085702.db2.gz MPFLIBJSJYREDO-IBGZPJMESA-N -1 3 390.447 3.348 20 0 GGADHM CCOc1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)ccc1OC ZINC000821395572 606087336 /nfs/dbraw/zinc/08/73/36/606087336.db2.gz ZJOIHQJCGLGAKG-UHFFFAOYSA-N -1 3 376.420 3.434 20 0 GGADHM CCOc1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)ccc1OC ZINC000821395572 606087338 /nfs/dbraw/zinc/08/73/38/606087338.db2.gz ZJOIHQJCGLGAKG-UHFFFAOYSA-N -1 3 376.420 3.434 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000821838475 606097369 /nfs/dbraw/zinc/09/73/69/606097369.db2.gz NZANHHKFBMAMKB-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000821838475 606097373 /nfs/dbraw/zinc/09/73/73/606097373.db2.gz NZANHHKFBMAMKB-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM Cc1ccc(CCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000822234775 606101413 /nfs/dbraw/zinc/10/14/13/606101413.db2.gz HEKPYGOOZNUKQN-UHFFFAOYSA-N -1 3 380.433 3.463 20 0 GGADHM Cc1ccc(CCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000822234775 606101415 /nfs/dbraw/zinc/10/14/15/606101415.db2.gz HEKPYGOOZNUKQN-UHFFFAOYSA-N -1 3 380.433 3.463 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N(c1ccccc1F)C1CCCC1 ZINC000823032335 606103250 /nfs/dbraw/zinc/10/32/50/606103250.db2.gz QNHDRIBDTTZJKP-UHFFFAOYSA-N -1 3 381.411 3.360 20 0 GGADHM COc1cc(NC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc(OC)c1 ZINC000821719627 606103815 /nfs/dbraw/zinc/10/38/15/606103815.db2.gz GNWYWEPMMHEETQ-UHFFFAOYSA-N -1 3 398.442 3.104 20 0 GGADHM COc1cc(NC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc(OC)c1 ZINC000821719627 606103816 /nfs/dbraw/zinc/10/38/16/606103816.db2.gz GNWYWEPMMHEETQ-UHFFFAOYSA-N -1 3 398.442 3.104 20 0 GGADHM Cc1nc(SCC(=O)N2Cc3ccccc3[C@@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000822453302 606105807 /nfs/dbraw/zinc/10/58/07/606105807.db2.gz ICRZJRNGWCEXBS-AWEZNQCLSA-N -1 3 394.504 3.382 20 0 GGADHM Cc1nc(SCC(=O)N2Cc3ccccc3[C@@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000822453302 606105809 /nfs/dbraw/zinc/10/58/09/606105809.db2.gz ICRZJRNGWCEXBS-AWEZNQCLSA-N -1 3 394.504 3.382 20 0 GGADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822345985 606108074 /nfs/dbraw/zinc/10/80/74/606108074.db2.gz YTECWCRAQGQQCO-CYBMUJFWSA-N -1 3 384.509 3.485 20 0 GGADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2ccccc2C)c(-c2nn[n-]n2)c1C ZINC000822345985 606108077 /nfs/dbraw/zinc/10/80/77/606108077.db2.gz YTECWCRAQGQQCO-CYBMUJFWSA-N -1 3 384.509 3.485 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)[C@@H]1c1cccc(F)c1 ZINC000820716963 606116890 /nfs/dbraw/zinc/11/68/90/606116890.db2.gz NGYSWYALTYSEPY-SGTLLEGYSA-N -1 3 398.417 3.438 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@@H]1c1cccc(F)c1 ZINC000820716963 606116892 /nfs/dbraw/zinc/11/68/92/606116892.db2.gz NGYSWYALTYSEPY-SGTLLEGYSA-N -1 3 398.417 3.438 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)[C@H]1c1cccc(F)c1 ZINC000820716962 606116982 /nfs/dbraw/zinc/11/69/82/606116982.db2.gz NGYSWYALTYSEPY-KZULUSFZSA-N -1 3 398.417 3.438 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@H]1c1cccc(F)c1 ZINC000820716962 606116985 /nfs/dbraw/zinc/11/69/85/606116985.db2.gz NGYSWYALTYSEPY-KZULUSFZSA-N -1 3 398.417 3.438 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1Br ZINC000822226410 606122342 /nfs/dbraw/zinc/12/23/42/606122342.db2.gz RCHJCMGNTOQSBF-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1Br ZINC000822226410 606122345 /nfs/dbraw/zinc/12/23/45/606122345.db2.gz RCHJCMGNTOQSBF-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1 ZINC000820334523 606123246 /nfs/dbraw/zinc/12/32/46/606123246.db2.gz MZLCUZGENYXWCM-CABCVRRESA-N -1 3 381.505 3.408 20 0 GGADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000820334523 606123248 /nfs/dbraw/zinc/12/32/48/606123248.db2.gz MZLCUZGENYXWCM-CABCVRRESA-N -1 3 381.505 3.408 20 0 GGADHM COCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000821688407 606123485 /nfs/dbraw/zinc/12/34/85/606123485.db2.gz JYHPIGVRBXHFHL-UHFFFAOYSA-N -1 3 387.827 3.188 20 0 GGADHM COCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000821688407 606123486 /nfs/dbraw/zinc/12/34/86/606123486.db2.gz JYHPIGVRBXHFHL-UHFFFAOYSA-N -1 3 387.827 3.188 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC)Oc1ccccc1C ZINC000821400121 606126086 /nfs/dbraw/zinc/12/60/86/606126086.db2.gz FFTITGLEHAQQJK-MRXNPFEDSA-N -1 3 381.436 3.370 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC)Oc1ccccc1C ZINC000821400121 606126088 /nfs/dbraw/zinc/12/60/88/606126088.db2.gz FFTITGLEHAQQJK-MRXNPFEDSA-N -1 3 381.436 3.370 20 0 GGADHM CCOC(=O)[C@@H](C)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821313197 606135860 /nfs/dbraw/zinc/13/58/60/606135860.db2.gz CSAHCKRKCWWKAJ-ZDUSSCGKSA-N -1 3 396.403 3.015 20 0 GGADHM CCOC(=O)[C@@H](C)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821313197 606135862 /nfs/dbraw/zinc/13/58/62/606135862.db2.gz CSAHCKRKCWWKAJ-ZDUSSCGKSA-N -1 3 396.403 3.015 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000823112422 606145579 /nfs/dbraw/zinc/14/55/79/606145579.db2.gz ZKXTYCOOZRHSRT-UHFFFAOYSA-N -1 3 395.806 3.461 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000823112422 606145581 /nfs/dbraw/zinc/14/55/81/606145581.db2.gz ZKXTYCOOZRHSRT-UHFFFAOYSA-N -1 3 395.806 3.461 20 0 GGADHM Cn1ncc2cc(C(=O)Oc3ccc(-c4ccc(-c5nnn[n-]5)cc4)cc3)cnc21 ZINC000822709541 606147067 /nfs/dbraw/zinc/14/70/67/606147067.db2.gz NHOBORKAIAZBBN-UHFFFAOYSA-N -1 3 397.398 3.035 20 0 GGADHM Cn1ncc2cc(C(=O)Oc3ccc(-c4ccc(-c5nn[n-]n5)cc4)cc3)cnc21 ZINC000822709541 606147069 /nfs/dbraw/zinc/14/70/69/606147069.db2.gz NHOBORKAIAZBBN-UHFFFAOYSA-N -1 3 397.398 3.035 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(OC)cs1 ZINC000821389086 606147702 /nfs/dbraw/zinc/14/77/02/606147702.db2.gz FQINBBNWTHPQCT-UHFFFAOYSA-N -1 3 380.813 3.208 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(OC)cs1 ZINC000821389086 606147705 /nfs/dbraw/zinc/14/77/05/606147705.db2.gz FQINBBNWTHPQCT-UHFFFAOYSA-N -1 3 380.813 3.208 20 0 GGADHM O=C(CC1CCCCCC1)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822941534 606151285 /nfs/dbraw/zinc/15/12/85/606151285.db2.gz YSIVSJULIUDCQQ-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(CC1CCCCCC1)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822941534 606151286 /nfs/dbraw/zinc/15/12/86/606151286.db2.gz YSIVSJULIUDCQQ-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000819957942 606153824 /nfs/dbraw/zinc/15/38/24/606153824.db2.gz FFCDQTIDJOKIQS-UHFFFAOYSA-N -1 3 386.460 3.030 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000819957942 606153825 /nfs/dbraw/zinc/15/38/25/606153825.db2.gz FFCDQTIDJOKIQS-UHFFFAOYSA-N -1 3 386.460 3.030 20 0 GGADHM O=C(NCc1ccon1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823265704 606154053 /nfs/dbraw/zinc/15/40/53/606154053.db2.gz FEGHOVCVRSALDQ-UHFFFAOYSA-N -1 3 392.444 3.077 20 0 GGADHM O=C(NCc1ccon1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823265704 606154055 /nfs/dbraw/zinc/15/40/55/606154055.db2.gz FEGHOVCVRSALDQ-UHFFFAOYSA-N -1 3 392.444 3.077 20 0 GGADHM CCN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H](COC)Cc1ccccc1 ZINC000821160678 606166425 /nfs/dbraw/zinc/16/64/25/606166425.db2.gz OPNMNIPCHKVEGE-MRXNPFEDSA-N -1 3 396.520 3.143 20 0 GGADHM CCN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H](COC)Cc1ccccc1 ZINC000821160678 606166428 /nfs/dbraw/zinc/16/64/28/606166428.db2.gz OPNMNIPCHKVEGE-MRXNPFEDSA-N -1 3 396.520 3.143 20 0 GGADHM CC(C)c1cnc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1C ZINC000820197578 606172758 /nfs/dbraw/zinc/17/27/58/606172758.db2.gz MCGAWGRTWCGNBL-UHFFFAOYSA-N -1 3 382.453 3.066 20 0 GGADHM CC(C)c1cnc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1C ZINC000820197578 606172760 /nfs/dbraw/zinc/17/27/60/606172760.db2.gz MCGAWGRTWCGNBL-UHFFFAOYSA-N -1 3 382.453 3.066 20 0 GGADHM O=S(=O)(c1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)F ZINC000823601057 606172811 /nfs/dbraw/zinc/17/28/11/606172811.db2.gz PHQAKPNXVXCXLN-UHFFFAOYSA-N -1 3 382.417 3.155 20 0 GGADHM O=S(=O)(c1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)F ZINC000823601057 606172813 /nfs/dbraw/zinc/17/28/13/606172813.db2.gz PHQAKPNXVXCXLN-UHFFFAOYSA-N -1 3 382.417 3.155 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000821612397 606172983 /nfs/dbraw/zinc/17/29/83/606172983.db2.gz UAPQYQLJLGHSRT-UHFFFAOYSA-N -1 3 376.420 3.050 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000821612397 606172984 /nfs/dbraw/zinc/17/29/84/606172984.db2.gz UAPQYQLJLGHSRT-UHFFFAOYSA-N -1 3 376.420 3.050 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821358671 606174814 /nfs/dbraw/zinc/17/48/14/606174814.db2.gz JXDOSVUCNXENPY-JCGIZDLHSA-N -1 3 398.511 3.355 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821358671 606174816 /nfs/dbraw/zinc/17/48/16/606174816.db2.gz JXDOSVUCNXENPY-JCGIZDLHSA-N -1 3 398.511 3.355 20 0 GGADHM O=[S@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823612925 606180299 /nfs/dbraw/zinc/18/02/99/606180299.db2.gz GPOFHUNMOKQWKP-MHZLTWQESA-N -1 3 395.513 3.363 20 0 GGADHM O=[S@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823612925 606180300 /nfs/dbraw/zinc/18/03/00/606180300.db2.gz GPOFHUNMOKQWKP-MHZLTWQESA-N -1 3 395.513 3.363 20 0 GGADHM O=[S@@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823612918 606180358 /nfs/dbraw/zinc/18/03/58/606180358.db2.gz GPOFHUNMOKQWKP-HHHXNRCGSA-N -1 3 395.513 3.363 20 0 GGADHM O=[S@@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823612918 606180359 /nfs/dbraw/zinc/18/03/59/606180359.db2.gz GPOFHUNMOKQWKP-HHHXNRCGSA-N -1 3 395.513 3.363 20 0 GGADHM C[C@@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCOC1 ZINC000820511867 606181776 /nfs/dbraw/zinc/18/17/76/606181776.db2.gz DOVOPTREXHQPPE-CJNGLKHVSA-N -1 3 379.420 3.192 20 0 GGADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCOC1 ZINC000820512990 606181882 /nfs/dbraw/zinc/18/18/82/606181882.db2.gz RRNRVAGHDCEXEO-CZUORRHYSA-N -1 3 380.404 3.241 20 0 GGADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCOC1 ZINC000820512990 606181883 /nfs/dbraw/zinc/18/18/83/606181883.db2.gz RRNRVAGHDCEXEO-CZUORRHYSA-N -1 3 380.404 3.241 20 0 GGADHM COc1ccccc1C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821889904 606183584 /nfs/dbraw/zinc/18/35/84/606183584.db2.gz HIZJRYFPRGGURC-HSNDNRACSA-N -1 3 391.475 3.272 20 0 GGADHM COc1ccccc1C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821889904 606183585 /nfs/dbraw/zinc/18/35/85/606183585.db2.gz HIZJRYFPRGGURC-HSNDNRACSA-N -1 3 391.475 3.272 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C(F)(F)F)c1F ZINC000821613476 606185028 /nfs/dbraw/zinc/18/50/28/606185028.db2.gz OVLUPQVJRNMCKU-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C(F)(F)F)c1F ZINC000821613476 606185029 /nfs/dbraw/zinc/18/50/29/606185029.db2.gz OVLUPQVJRNMCKU-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000820541760 606187202 /nfs/dbraw/zinc/18/72/02/606187202.db2.gz IPGPHNIRCUQBQZ-NQCMUKECSA-N -1 3 395.438 3.213 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000820541760 606187204 /nfs/dbraw/zinc/18/72/04/606187204.db2.gz IPGPHNIRCUQBQZ-NQCMUKECSA-N -1 3 395.438 3.213 20 0 GGADHM C[C@H]1Sc2ccccc2N(C(=O)COc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000820821721 606191162 /nfs/dbraw/zinc/19/11/62/606191162.db2.gz VEUHLJQQSLLLNQ-QWHCGFSZSA-N -1 3 381.461 3.161 20 0 GGADHM C[C@H]1Sc2ccccc2N(C(=O)COc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000820821721 606191164 /nfs/dbraw/zinc/19/11/64/606191164.db2.gz VEUHLJQQSLLLNQ-QWHCGFSZSA-N -1 3 381.461 3.161 20 0 GGADHM CN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821605002 606192322 /nfs/dbraw/zinc/19/23/22/606192322.db2.gz QDGLRFPUVKCFKZ-UHFFFAOYSA-N -1 3 384.443 3.243 20 0 GGADHM CN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821605002 606192324 /nfs/dbraw/zinc/19/23/24/606192324.db2.gz QDGLRFPUVKCFKZ-UHFFFAOYSA-N -1 3 384.443 3.243 20 0 GGADHM Cc1ccc(CCCC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000822236181 606192334 /nfs/dbraw/zinc/19/23/34/606192334.db2.gz NFGLLFUXPDETSN-CYBMUJFWSA-N -1 3 399.476 3.130 20 0 GGADHM Cc1ccc(CCCC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000822236181 606192336 /nfs/dbraw/zinc/19/23/36/606192336.db2.gz NFGLLFUXPDETSN-CYBMUJFWSA-N -1 3 399.476 3.130 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821688509 606193930 /nfs/dbraw/zinc/19/39/30/606193930.db2.gz NSVAXIYALMJFGG-AWEZNQCLSA-N -1 3 396.451 3.165 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821688509 606193931 /nfs/dbraw/zinc/19/39/31/606193931.db2.gz NSVAXIYALMJFGG-AWEZNQCLSA-N -1 3 396.451 3.165 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821688510 606194233 /nfs/dbraw/zinc/19/42/33/606194233.db2.gz NSVAXIYALMJFGG-CQSZACIVSA-N -1 3 396.451 3.165 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821688510 606194234 /nfs/dbraw/zinc/19/42/34/606194234.db2.gz NSVAXIYALMJFGG-CQSZACIVSA-N -1 3 396.451 3.165 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823359761 606194473 /nfs/dbraw/zinc/19/44/73/606194473.db2.gz SBFLIMUAXKOCGE-LSDHHAIUSA-N -1 3 384.465 3.048 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823359761 606194475 /nfs/dbraw/zinc/19/44/75/606194475.db2.gz SBFLIMUAXKOCGE-LSDHHAIUSA-N -1 3 384.465 3.048 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000823309003 606194701 /nfs/dbraw/zinc/19/47/01/606194701.db2.gz OZXSUYRGDQNHNR-CABCVRRESA-N -1 3 384.465 3.048 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000823309003 606194703 /nfs/dbraw/zinc/19/47/03/606194703.db2.gz OZXSUYRGDQNHNR-CABCVRRESA-N -1 3 384.465 3.048 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000822217953 606194827 /nfs/dbraw/zinc/19/48/27/606194827.db2.gz SRXVGBRSVIJYMC-UHFFFAOYSA-N -1 3 396.455 3.273 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000822217953 606194828 /nfs/dbraw/zinc/19/48/28/606194828.db2.gz SRXVGBRSVIJYMC-UHFFFAOYSA-N -1 3 396.455 3.273 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823238030 606196080 /nfs/dbraw/zinc/19/60/80/606196080.db2.gz HHDXAMPDSKEOBP-UHFFFAOYSA-N -1 3 393.382 3.346 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823238030 606196082 /nfs/dbraw/zinc/19/60/82/606196082.db2.gz HHDXAMPDSKEOBP-UHFFFAOYSA-N -1 3 393.382 3.346 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H]1Cc1ccccc1 ZINC000822955464 606197527 /nfs/dbraw/zinc/19/75/27/606197527.db2.gz WADCEPGXMAIIAY-LJQANCHMSA-N -1 3 391.475 3.259 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H]1Cc1ccccc1 ZINC000822955464 606197528 /nfs/dbraw/zinc/19/75/28/606197528.db2.gz WADCEPGXMAIIAY-LJQANCHMSA-N -1 3 391.475 3.259 20 0 GGADHM C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353045 606197767 /nfs/dbraw/zinc/19/77/67/606197767.db2.gz XISZJUUOCPDNSU-CQSZACIVSA-N -1 3 386.525 3.389 20 0 GGADHM C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353045 606197769 /nfs/dbraw/zinc/19/77/69/606197769.db2.gz XISZJUUOCPDNSU-CQSZACIVSA-N -1 3 386.525 3.389 20 0 GGADHM CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819928875 606199763 /nfs/dbraw/zinc/19/97/63/606199763.db2.gz ZHXFQVFCVPPLSV-UHFFFAOYSA-N -1 3 398.511 3.483 20 0 GGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820431607 606203127 /nfs/dbraw/zinc/20/31/27/606203127.db2.gz GXWCFEAJKJRRPT-SECBINFHSA-N -1 3 387.856 3.482 20 0 GGADHM COc1cccc(C(C)=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000821859483 606208980 /nfs/dbraw/zinc/20/89/80/606208980.db2.gz OTXFTBJJKLJAHU-LUAWRHEFSA-N -1 3 381.461 3.468 20 0 GGADHM COc1cccc(C(C)=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000821859483 606208982 /nfs/dbraw/zinc/20/89/82/606208982.db2.gz OTXFTBJJKLJAHU-LUAWRHEFSA-N -1 3 381.461 3.468 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000822645600 606211231 /nfs/dbraw/zinc/21/12/31/606211231.db2.gz GUJMDHNFBDKTNJ-UHFFFAOYSA-N -1 3 385.859 3.101 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000822645600 606211232 /nfs/dbraw/zinc/21/12/32/606211232.db2.gz GUJMDHNFBDKTNJ-UHFFFAOYSA-N -1 3 385.859 3.101 20 0 GGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2F)C[C@H](C)O1 ZINC000820776829 606213339 /nfs/dbraw/zinc/21/33/39/606213339.db2.gz NICYMEIOMOEXMM-TXEJJXNPSA-N -1 3 388.472 3.293 20 0 GGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2F)C[C@H](C)O1 ZINC000820776829 606213340 /nfs/dbraw/zinc/21/33/40/606213340.db2.gz NICYMEIOMOEXMM-TXEJJXNPSA-N -1 3 388.472 3.293 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000822623124 606223421 /nfs/dbraw/zinc/22/34/21/606223421.db2.gz PELFHTORHFRWMH-UHFFFAOYSA-N -1 3 382.811 3.299 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000822623124 606223423 /nfs/dbraw/zinc/22/34/23/606223423.db2.gz PELFHTORHFRWMH-UHFFFAOYSA-N -1 3 382.811 3.299 20 0 GGADHM O=C(CCOCC1CC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822974557 606224207 /nfs/dbraw/zinc/22/42/07/606224207.db2.gz RLLLROAOFJSOOT-UHFFFAOYSA-N -1 3 377.448 3.217 20 0 GGADHM O=C(CCOCC1CC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822974557 606224210 /nfs/dbraw/zinc/22/42/10/606224210.db2.gz RLLLROAOFJSOOT-UHFFFAOYSA-N -1 3 377.448 3.217 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000822650721 606225598 /nfs/dbraw/zinc/22/55/98/606225598.db2.gz YRXCBWMRDXBVLK-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000822650721 606225600 /nfs/dbraw/zinc/22/56/00/606225600.db2.gz YRXCBWMRDXBVLK-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCOCC1CC1 ZINC000822211926 606227542 /nfs/dbraw/zinc/22/75/42/606227542.db2.gz UFTQYAKNOPLYCC-UHFFFAOYSA-N -1 3 394.435 3.118 20 0 GGADHM Cc1cc2oc(=O)cc(COC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2cc1C(C)C ZINC000822213092 606229250 /nfs/dbraw/zinc/22/92/50/606229250.db2.gz UGOPLXUVFZVDSK-UHFFFAOYSA-N -1 3 393.403 3.090 20 0 GGADHM Cc1cc2oc(=O)cc(COC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2cc1C(C)C ZINC000822213092 606229252 /nfs/dbraw/zinc/22/92/52/606229252.db2.gz UGOPLXUVFZVDSK-UHFFFAOYSA-N -1 3 393.403 3.090 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000822623300 606229777 /nfs/dbraw/zinc/22/97/77/606229777.db2.gz SNFNIEYMEMJFRU-UHFFFAOYSA-N -1 3 393.838 3.101 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000822623300 606229779 /nfs/dbraw/zinc/22/97/79/606229779.db2.gz SNFNIEYMEMJFRU-UHFFFAOYSA-N -1 3 393.838 3.101 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000822719107 606231460 /nfs/dbraw/zinc/23/14/60/606231460.db2.gz ZLPXLLWHJPERMN-AWEZNQCLSA-N -1 3 397.401 3.050 20 0 GGADHM COc1cccc(C(C)=CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000821859228 606232456 /nfs/dbraw/zinc/23/24/56/606232456.db2.gz MPKLBCBLWSFYKC-UKTHLTGXSA-N -1 3 380.452 3.474 20 0 GGADHM COc1cccc(C(C)=CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000821859228 606232457 /nfs/dbraw/zinc/23/24/57/606232457.db2.gz MPKLBCBLWSFYKC-UKTHLTGXSA-N -1 3 380.452 3.474 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)c2cc(Cl)ccc2S1 ZINC000820717886 606232868 /nfs/dbraw/zinc/23/28/68/606232868.db2.gz YFNUGRWBHOXURK-JTQLQIEISA-N -1 3 388.884 3.390 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)c2cc(Cl)ccc2S1 ZINC000820717886 606232869 /nfs/dbraw/zinc/23/28/69/606232869.db2.gz YFNUGRWBHOXURK-JTQLQIEISA-N -1 3 388.884 3.390 20 0 GGADHM O=C(CC[C@@H]1CCOC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822950004 606233021 /nfs/dbraw/zinc/23/30/21/606233021.db2.gz BSJHXTSJRWDYHC-GFCCVEGCSA-N -1 3 375.498 3.342 20 0 GGADHM O=C(CC[C@@H]1CCOC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822950004 606233022 /nfs/dbraw/zinc/23/30/22/606233022.db2.gz BSJHXTSJRWDYHC-GFCCVEGCSA-N -1 3 375.498 3.342 20 0 GGADHM Cc1ccccc1Nc1nc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cs1 ZINC000822362507 606233271 /nfs/dbraw/zinc/23/32/71/606233271.db2.gz WUQNUSVCZIWCQO-UHFFFAOYSA-N -1 3 381.421 3.060 20 0 GGADHM Cc1ccccc1Nc1nc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cs1 ZINC000822362507 606233272 /nfs/dbraw/zinc/23/32/72/606233272.db2.gz WUQNUSVCZIWCQO-UHFFFAOYSA-N -1 3 381.421 3.060 20 0 GGADHM CCOC(=O)[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821315320 606237018 /nfs/dbraw/zinc/23/70/18/606237018.db2.gz RZSMTXVGHZQROH-LBPRGKRZSA-N -1 3 398.444 3.126 20 0 GGADHM CCOC(=O)[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821315320 606237020 /nfs/dbraw/zinc/23/70/20/606237020.db2.gz RZSMTXVGHZQROH-LBPRGKRZSA-N -1 3 398.444 3.126 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000823566605 606239700 /nfs/dbraw/zinc/23/97/00/606239700.db2.gz JDLATGJYIUGMGX-UHFFFAOYSA-N -1 3 395.488 3.029 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000823566605 606239702 /nfs/dbraw/zinc/23/97/02/606239702.db2.gz JDLATGJYIUGMGX-UHFFFAOYSA-N -1 3 395.488 3.029 20 0 GGADHM Cc1ccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)[C@@H](C)C2)cc1C ZINC000822242142 606240745 /nfs/dbraw/zinc/24/07/45/606240745.db2.gz BJZLKNYPKOBCHV-AWEZNQCLSA-N -1 3 383.887 3.247 20 0 GGADHM Cc1ccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)[C@@H](C)C2)cc1C ZINC000822242142 606240747 /nfs/dbraw/zinc/24/07/47/606240747.db2.gz BJZLKNYPKOBCHV-AWEZNQCLSA-N -1 3 383.887 3.247 20 0 GGADHM Cc1cc(C)c(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(Cl)c1 ZINC000822194180 606245546 /nfs/dbraw/zinc/24/55/46/606245546.db2.gz LUWIATAAWKQZJQ-ZDUSSCGKSA-N -1 3 388.884 3.416 20 0 GGADHM Cc1cc(C)c(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(Cl)c1 ZINC000822194180 606245548 /nfs/dbraw/zinc/24/55/48/606245548.db2.gz LUWIATAAWKQZJQ-ZDUSSCGKSA-N -1 3 388.884 3.416 20 0 GGADHM O=C(CCOCC1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822974497 606246083 /nfs/dbraw/zinc/24/60/83/606246083.db2.gz PNPMOUWHLAFGKW-UHFFFAOYSA-N -1 3 393.447 3.201 20 0 GGADHM O=C(CCOCC1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822974497 606246085 /nfs/dbraw/zinc/24/60/85/606246085.db2.gz PNPMOUWHLAFGKW-UHFFFAOYSA-N -1 3 393.447 3.201 20 0 GGADHM CCCCOc1cccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000821077956 606246892 /nfs/dbraw/zinc/24/68/92/606246892.db2.gz YILZBBAWUMHOTO-MRXNPFEDSA-N -1 3 398.492 3.325 20 0 GGADHM CCCCOc1cccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000821077956 606246893 /nfs/dbraw/zinc/24/68/93/606246893.db2.gz YILZBBAWUMHOTO-MRXNPFEDSA-N -1 3 398.492 3.325 20 0 GGADHM CC(C)(C)Oc1ccccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819950323 606249595 /nfs/dbraw/zinc/24/95/95/606249595.db2.gz INXSNNKYEGRXNW-KRWDZBQOSA-N -1 3 392.463 3.261 20 0 GGADHM CC(C)(C)Oc1ccccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819950323 606249597 /nfs/dbraw/zinc/24/95/97/606249597.db2.gz INXSNNKYEGRXNW-KRWDZBQOSA-N -1 3 392.463 3.261 20 0 GGADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822266745 606254937 /nfs/dbraw/zinc/25/49/37/606254937.db2.gz GUSPICICUUCWMG-UHFFFAOYSA-N -1 3 396.398 3.420 20 0 GGADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822266745 606254938 /nfs/dbraw/zinc/25/49/38/606254938.db2.gz GUSPICICUUCWMG-UHFFFAOYSA-N -1 3 396.398 3.420 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n[nH]1 ZINC000822209361 606258131 /nfs/dbraw/zinc/25/81/31/606258131.db2.gz FRWHUXXRBSLEQC-UHFFFAOYSA-N -1 3 377.433 3.302 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n[nH]1 ZINC000822209361 606258132 /nfs/dbraw/zinc/25/81/32/606258132.db2.gz FRWHUXXRBSLEQC-UHFFFAOYSA-N -1 3 377.433 3.302 20 0 GGADHM O=C(NC[C@@H]1CCCCO1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823175506 606262532 /nfs/dbraw/zinc/26/25/32/606262532.db2.gz KEIDHFNCYCWQBK-HNNXBMFYSA-N -1 3 395.488 3.317 20 0 GGADHM O=C(NC[C@@H]1CCCCO1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823175506 606262534 /nfs/dbraw/zinc/26/25/34/606262534.db2.gz KEIDHFNCYCWQBK-HNNXBMFYSA-N -1 3 395.488 3.317 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)cc(Br)c1 ZINC000823343918 606262736 /nfs/dbraw/zinc/26/27/36/606262736.db2.gz KWKGSFWLPNKAJC-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)cc(Br)c1 ZINC000823343918 606262738 /nfs/dbraw/zinc/26/27/38/606262738.db2.gz KWKGSFWLPNKAJC-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821849628 606263259 /nfs/dbraw/zinc/26/32/59/606263259.db2.gz NTDMXKMNACPXKR-CYBMUJFWSA-N -1 3 381.411 3.463 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821849628 606263261 /nfs/dbraw/zinc/26/32/61/606263261.db2.gz NTDMXKMNACPXKR-CYBMUJFWSA-N -1 3 381.411 3.463 20 0 GGADHM Cc1cc(CNC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)on1 ZINC000822200844 606263728 /nfs/dbraw/zinc/26/37/28/606263728.db2.gz FFRUDXBKWWDYHT-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1cc(CNC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)on1 ZINC000822200844 606263730 /nfs/dbraw/zinc/26/37/30/606263730.db2.gz FFRUDXBKWWDYHT-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350538 606264368 /nfs/dbraw/zinc/26/43/68/606264368.db2.gz QQHVFIPWJWWTRU-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350538 606264370 /nfs/dbraw/zinc/26/43/70/606264370.db2.gz QQHVFIPWJWWTRU-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM CCc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cn2)c1 ZINC000821492116 606267922 /nfs/dbraw/zinc/26/79/22/606267922.db2.gz HQXZTYDDZUZNCQ-UHFFFAOYSA-N -1 3 375.392 3.197 20 0 GGADHM CCc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cn2)c1 ZINC000821492116 606267923 /nfs/dbraw/zinc/26/79/23/606267923.db2.gz HQXZTYDDZUZNCQ-UHFFFAOYSA-N -1 3 375.392 3.197 20 0 GGADHM O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823070876 606269343 /nfs/dbraw/zinc/26/93/43/606269343.db2.gz STRNAXFVLBIQHO-UHFFFAOYSA-N -1 3 386.437 3.346 20 0 GGADHM O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823070876 606269344 /nfs/dbraw/zinc/26/93/44/606269344.db2.gz STRNAXFVLBIQHO-UHFFFAOYSA-N -1 3 386.437 3.346 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cc12 ZINC000820206694 606271421 /nfs/dbraw/zinc/27/14/21/606271421.db2.gz WACYBZHIOZQVHH-UHFFFAOYSA-N -1 3 385.428 3.330 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820686797 606272984 /nfs/dbraw/zinc/27/29/84/606272984.db2.gz ZXRLTTZYZSDLMW-SUYBPPKGSA-N -1 3 375.448 3.422 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820686797 606272986 /nfs/dbraw/zinc/27/29/86/606272986.db2.gz ZXRLTTZYZSDLMW-SUYBPPKGSA-N -1 3 375.448 3.422 20 0 GGADHM O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823356800 606273729 /nfs/dbraw/zinc/27/37/29/606273729.db2.gz OLWBEDVUANYYQM-UHFFFAOYSA-N -1 3 389.350 3.394 20 0 GGADHM O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823356800 606273730 /nfs/dbraw/zinc/27/37/30/606273730.db2.gz OLWBEDVUANYYQM-UHFFFAOYSA-N -1 3 389.350 3.394 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823031754 606274473 /nfs/dbraw/zinc/27/44/73/606274473.db2.gz IFNSSRZOYGHTRV-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823031754 606274474 /nfs/dbraw/zinc/27/44/74/606274474.db2.gz IFNSSRZOYGHTRV-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612878 606281002 /nfs/dbraw/zinc/28/10/02/606281002.db2.gz MMJUMBZZUAIQDH-JOCHJYFZSA-N -1 3 375.476 3.281 20 0 GGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612878 606281003 /nfs/dbraw/zinc/28/10/03/606281003.db2.gz MMJUMBZZUAIQDH-JOCHJYFZSA-N -1 3 375.476 3.281 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000821118260 606281442 /nfs/dbraw/zinc/28/14/42/606281442.db2.gz KCYNPRIUGQIZQW-IBGZPJMESA-N -1 3 392.463 3.331 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000821119122 606282924 /nfs/dbraw/zinc/28/29/24/606282924.db2.gz VHALDGDZEHRBIU-CYBMUJFWSA-N -1 3 380.452 3.439 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1occc1Br ZINC000821128478 606291072 /nfs/dbraw/zinc/29/10/72/606291072.db2.gz VCQOJFTYMRWFRA-UHFFFAOYSA-N -1 3 391.229 3.296 20 0 GGADHM COC(=O)[C@@H](NC[C@H](c1ccccc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642394 606300181 /nfs/dbraw/zinc/30/01/81/606300181.db2.gz IOOMYSLSNUWBOF-OALUTQOASA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@@H](NC[C@H](c1ccccc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642394 606300182 /nfs/dbraw/zinc/30/01/82/606300182.db2.gz IOOMYSLSNUWBOF-OALUTQOASA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821642389 606303558 /nfs/dbraw/zinc/30/35/58/606303558.db2.gz IOLJXOLRTNOTEU-DLBZAZTESA-N -1 3 383.839 3.011 20 0 GGADHM COC(=O)[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821642389 606303559 /nfs/dbraw/zinc/30/35/59/606303559.db2.gz IOLJXOLRTNOTEU-DLBZAZTESA-N -1 3 383.839 3.011 20 0 GGADHM COC(=O)[C@@H](NCc1cccc(Cl)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821644715 606303721 /nfs/dbraw/zinc/30/37/21/606303721.db2.gz HEVQKSFUMMZHGE-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@@H](NCc1cccc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821644715 606303723 /nfs/dbraw/zinc/30/37/23/606303723.db2.gz HEVQKSFUMMZHGE-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@@H](N[C@H](CC1CC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642717 606307832 /nfs/dbraw/zinc/30/78/32/606307832.db2.gz OIDMKZWEGDJHDM-MOPGFXCFSA-N -1 3 377.448 3.212 20 0 GGADHM COC(=O)[C@@H](N[C@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642717 606307834 /nfs/dbraw/zinc/30/78/34/606307834.db2.gz OIDMKZWEGDJHDM-MOPGFXCFSA-N -1 3 377.448 3.212 20 0 GGADHM COC(=O)[C@H](NCC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642434 606308076 /nfs/dbraw/zinc/30/80/76/606308076.db2.gz JFGVSGXJXSXYIO-QGZVFWFLSA-N -1 3 397.866 3.056 20 0 GGADHM COC(=O)[C@H](NCC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642434 606308078 /nfs/dbraw/zinc/30/80/78/606308078.db2.gz JFGVSGXJXSXYIO-QGZVFWFLSA-N -1 3 397.866 3.056 20 0 GGADHM O=C1[C@H](Sc2ccc3ccccc3n2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512683 606312082 /nfs/dbraw/zinc/31/20/82/606312082.db2.gz QQFCZQWYJPVXJN-CQSZACIVSA-N -1 3 394.485 3.374 20 0 GGADHM O=C1[C@H](Sc2ccc3ccccc3n2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512683 606312084 /nfs/dbraw/zinc/31/20/84/606312084.db2.gz QQFCZQWYJPVXJN-CQSZACIVSA-N -1 3 394.485 3.374 20 0 GGADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1c(F)cccc1Cl ZINC000821649938 606313880 /nfs/dbraw/zinc/31/38/80/606313880.db2.gz HAEBSQOYRMYPAO-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1c(F)cccc1Cl ZINC000821649938 606313881 /nfs/dbraw/zinc/31/38/81/606313881.db2.gz HAEBSQOYRMYPAO-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccccc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642644 606320350 /nfs/dbraw/zinc/32/03/50/606320350.db2.gz MRHINLRNQNUFJT-RTBURBONSA-N -1 3 377.448 3.212 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccccc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642644 606320352 /nfs/dbraw/zinc/32/03/52/606320352.db2.gz MRHINLRNQNUFJT-RTBURBONSA-N -1 3 377.448 3.212 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccccc2C)CC1 ZINC000821651630 606320892 /nfs/dbraw/zinc/32/08/92/606320892.db2.gz CQTKLBKIDAXGAZ-HXUWFJFHSA-N -1 3 391.475 3.269 20 0 GGADHM CC(C)Nc1ccc(Br)cc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820137610 606324605 /nfs/dbraw/zinc/32/46/05/606324605.db2.gz LSSOGYYELFLNGC-UHFFFAOYSA-N -1 3 390.245 3.030 20 0 GGADHM CC(C)Nc1ccc(Br)cc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820137610 606324607 /nfs/dbraw/zinc/32/46/07/606324607.db2.gz LSSOGYYELFLNGC-UHFFFAOYSA-N -1 3 390.245 3.030 20 0 GGADHM COC[C@H](C)n1c(C)cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c1C ZINC000821682470 606325867 /nfs/dbraw/zinc/32/58/67/606325867.db2.gz GIYNNQYTZGWCJO-ZDUSSCGKSA-N -1 3 385.493 3.467 20 0 GGADHM COC[C@H](C)n1c(C)cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c1C ZINC000821682470 606325868 /nfs/dbraw/zinc/32/58/68/606325868.db2.gz GIYNNQYTZGWCJO-ZDUSSCGKSA-N -1 3 385.493 3.467 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@@H]2CCc3ccc(F)cc32)n1 ZINC000821343559 606327658 /nfs/dbraw/zinc/32/76/58/606327658.db2.gz PLFWIZFVCKKBSC-OAHLLOKOSA-N -1 3 385.424 3.357 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@@H]2CCc3ccc(F)cc32)n1 ZINC000821343559 606327660 /nfs/dbraw/zinc/32/76/60/606327660.db2.gz PLFWIZFVCKKBSC-OAHLLOKOSA-N -1 3 385.424 3.357 20 0 GGADHM Cc1ccc(C)c(CSCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822231798 606329973 /nfs/dbraw/zinc/32/99/73/606329973.db2.gz HUMNCPJAKJIJKF-UHFFFAOYSA-N -1 3 388.518 3.191 20 0 GGADHM Cc1ccc(C)c(CSCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231798 606329974 /nfs/dbraw/zinc/32/99/74/606329974.db2.gz HUMNCPJAKJIJKF-UHFFFAOYSA-N -1 3 388.518 3.191 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(OCC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379794 606330873 /nfs/dbraw/zinc/33/08/73/606330873.db2.gz HJHCJSUDAIKCDL-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(OCC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379794 606330875 /nfs/dbraw/zinc/33/08/75/606330875.db2.gz HJHCJSUDAIKCDL-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820549437 606332413 /nfs/dbraw/zinc/33/24/13/606332413.db2.gz MRQUWXBHZPXYHX-SECBINFHSA-N -1 3 381.889 3.196 20 0 GGADHM C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820549437 606332415 /nfs/dbraw/zinc/33/24/15/606332415.db2.gz MRQUWXBHZPXYHX-SECBINFHSA-N -1 3 381.889 3.196 20 0 GGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820939703 606335558 /nfs/dbraw/zinc/33/55/58/606335558.db2.gz XHFQBQWPUDCCPD-CQSZACIVSA-N -1 3 386.431 3.358 20 0 GGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820939703 606335560 /nfs/dbraw/zinc/33/55/60/606335560.db2.gz XHFQBQWPUDCCPD-CQSZACIVSA-N -1 3 386.431 3.358 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 ZINC000821466028 606335565 /nfs/dbraw/zinc/33/55/65/606335565.db2.gz UMZVJWPXCBBTCU-CYBMUJFWSA-N -1 3 375.429 3.426 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 ZINC000821466028 606335566 /nfs/dbraw/zinc/33/55/66/606335566.db2.gz UMZVJWPXCBBTCU-CYBMUJFWSA-N -1 3 375.429 3.426 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820937809 606335595 /nfs/dbraw/zinc/33/55/95/606335595.db2.gz DJGFGTWEYNYNFX-SFHVURJKSA-N -1 3 395.438 3.354 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820937809 606335596 /nfs/dbraw/zinc/33/55/96/606335596.db2.gz DJGFGTWEYNYNFX-SFHVURJKSA-N -1 3 395.438 3.354 20 0 GGADHM C[C@@H](OC(=O)[C@H]1CCCN1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488075 606338588 /nfs/dbraw/zinc/33/85/88/606338588.db2.gz KRQVTKPATMAXJR-DNVCBOLYSA-N -1 3 377.448 3.136 20 0 GGADHM C[C@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488077 606338674 /nfs/dbraw/zinc/33/86/74/606338674.db2.gz KRQVTKPATMAXJR-KXBFYZLASA-N -1 3 377.448 3.136 20 0 GGADHM CC(C)[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccnc1 ZINC000820020812 606342344 /nfs/dbraw/zinc/34/23/44/606342344.db2.gz KJCSIWQEQAABIJ-OAHLLOKOSA-N -1 3 385.859 3.476 20 0 GGADHM CC(C)[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccnc1 ZINC000820020812 606342345 /nfs/dbraw/zinc/34/23/45/606342345.db2.gz KJCSIWQEQAABIJ-OAHLLOKOSA-N -1 3 385.859 3.476 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000821412334 606344529 /nfs/dbraw/zinc/34/45/29/606344529.db2.gz JZRORNNRUPDFET-MRXNPFEDSA-N -1 3 395.467 3.222 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000821412333 606344894 /nfs/dbraw/zinc/34/48/94/606344894.db2.gz JZRORNNRUPDFET-INIZCTEOSA-N -1 3 395.467 3.222 20 0 GGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(F)cc1 ZINC000822020412 606345137 /nfs/dbraw/zinc/34/51/37/606345137.db2.gz CFUURUPTWWVVPZ-CYBMUJFWSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(F)cc1 ZINC000822020412 606345139 /nfs/dbraw/zinc/34/51/39/606345139.db2.gz CFUURUPTWWVVPZ-CYBMUJFWSA-N -1 3 392.394 3.418 20 0 GGADHM C[C@@H](OC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820480835 606347180 /nfs/dbraw/zinc/34/71/80/606347180.db2.gz PRVMTVDBMBVDBR-CYBMUJFWSA-N -1 3 394.431 3.220 20 0 GGADHM C[C@@H](OC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820480835 606347182 /nfs/dbraw/zinc/34/71/82/606347182.db2.gz PRVMTVDBMBVDBR-CYBMUJFWSA-N -1 3 394.431 3.220 20 0 GGADHM COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000821786474 606347513 /nfs/dbraw/zinc/34/75/13/606347513.db2.gz DUALFGZAVVFDCZ-CYBMUJFWSA-N -1 3 382.399 3.036 20 0 GGADHM COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000821786474 606347515 /nfs/dbraw/zinc/34/75/15/606347515.db2.gz DUALFGZAVVFDCZ-CYBMUJFWSA-N -1 3 382.399 3.036 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488550 606347789 /nfs/dbraw/zinc/34/77/89/606347789.db2.gz PHOFUVFLDYOUMI-BKTGTZMESA-N -1 3 377.448 3.341 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488550 606347790 /nfs/dbraw/zinc/34/77/90/606347790.db2.gz PHOFUVFLDYOUMI-BKTGTZMESA-N -1 3 377.448 3.341 20 0 GGADHM C[C@H](OC(=O)c1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518935 606348229 /nfs/dbraw/zinc/34/82/29/606348229.db2.gz OAHZNYAOWXNWQM-NSHDSACASA-N -1 3 378.417 3.303 20 0 GGADHM C[C@H](OC(=O)c1cnc(-c2ccncc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518935 606348231 /nfs/dbraw/zinc/34/82/31/606348231.db2.gz OAHZNYAOWXNWQM-NSHDSACASA-N -1 3 378.417 3.303 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000823343820 606351561 /nfs/dbraw/zinc/35/15/61/606351561.db2.gz IGFMYTKNXOIXFH-IRXDYDNUSA-N -1 3 382.399 3.048 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000823343820 606351563 /nfs/dbraw/zinc/35/15/63/606351563.db2.gz IGFMYTKNXOIXFH-IRXDYDNUSA-N -1 3 382.399 3.048 20 0 GGADHM O=C(NCc1cc(Br)cs1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823241779 606353207 /nfs/dbraw/zinc/35/32/07/606353207.db2.gz FVWWANIQDTUICO-UHFFFAOYSA-N -1 3 397.233 3.152 20 0 GGADHM O=C(NCc1cc(Br)cs1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823241779 606353208 /nfs/dbraw/zinc/35/32/08/606353208.db2.gz FVWWANIQDTUICO-UHFFFAOYSA-N -1 3 397.233 3.152 20 0 GGADHM C[C@@H](OC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486659 606354181 /nfs/dbraw/zinc/35/41/81/606354181.db2.gz CCOCFUSMWMLDJX-AUUYWEPGSA-N -1 3 395.438 3.275 20 0 GGADHM C[C@@H](OC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486659 606354182 /nfs/dbraw/zinc/35/41/82/606354182.db2.gz CCOCFUSMWMLDJX-AUUYWEPGSA-N -1 3 395.438 3.275 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820920693 606355784 /nfs/dbraw/zinc/35/57/84/606355784.db2.gz RXENJPXGHJFXRX-CQSZACIVSA-N -1 3 398.398 3.050 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000820920693 606355786 /nfs/dbraw/zinc/35/57/86/606355786.db2.gz RXENJPXGHJFXRX-CQSZACIVSA-N -1 3 398.398 3.050 20 0 GGADHM C[C@@H](OC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494935 606356004 /nfs/dbraw/zinc/35/60/04/606356004.db2.gz DEKGLTIBFCKLAX-GFCCVEGCSA-N -1 3 392.419 3.076 20 0 GGADHM C[C@@H](OC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494935 606356005 /nfs/dbraw/zinc/35/60/05/606356005.db2.gz DEKGLTIBFCKLAX-GFCCVEGCSA-N -1 3 392.419 3.076 20 0 GGADHM CC(C)(C)OC(=O)CCCCCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819927988 606356924 /nfs/dbraw/zinc/35/69/24/606356924.db2.gz FHPILEHBBCBWPG-UHFFFAOYSA-N -1 3 392.435 3.029 20 0 GGADHM CC(C)(C)OC(=O)CCCCCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819927988 606356926 /nfs/dbraw/zinc/35/69/26/606356926.db2.gz FHPILEHBBCBWPG-UHFFFAOYSA-N -1 3 392.435 3.029 20 0 GGADHM O=C(NCCCCOCc1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823187402 606358391 /nfs/dbraw/zinc/35/83/91/606358391.db2.gz JYWKQWUOOJNLII-UHFFFAOYSA-N -1 3 384.415 3.124 20 0 GGADHM O=C(NCCCCOCc1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823187402 606358392 /nfs/dbraw/zinc/35/83/92/606358392.db2.gz JYWKQWUOOJNLII-UHFFFAOYSA-N -1 3 384.415 3.124 20 0 GGADHM CCc1c(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cnn1C ZINC000821466079 606359943 /nfs/dbraw/zinc/35/99/43/606359943.db2.gz VBEYRIDJKFFBOP-UHFFFAOYSA-N -1 3 390.403 3.174 20 0 GGADHM CCc1c(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cnn1C ZINC000821466079 606359945 /nfs/dbraw/zinc/35/99/45/606359945.db2.gz VBEYRIDJKFFBOP-UHFFFAOYSA-N -1 3 390.403 3.174 20 0 GGADHM Cc1cc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)c(F)cc1F ZINC000822176325 606361150 /nfs/dbraw/zinc/36/11/50/606361150.db2.gz JKLYUZCQJXADLT-UHFFFAOYSA-N -1 3 389.431 3.117 20 0 GGADHM Cc1cc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)c(F)cc1F ZINC000822176325 606361151 /nfs/dbraw/zinc/36/11/51/606361151.db2.gz JKLYUZCQJXADLT-UHFFFAOYSA-N -1 3 389.431 3.117 20 0 GGADHM CS/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821956146 606361519 /nfs/dbraw/zinc/36/15/19/606361519.db2.gz ICIADDOPAVMTJU-BQYQJAHWSA-N -1 3 385.424 3.400 20 0 GGADHM CS/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821956146 606361520 /nfs/dbraw/zinc/36/15/20/606361520.db2.gz ICIADDOPAVMTJU-BQYQJAHWSA-N -1 3 385.424 3.400 20 0 GGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccnc(F)c1 ZINC000823455167 606362217 /nfs/dbraw/zinc/36/22/17/606362217.db2.gz XVEKMBZNHPPDGU-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820939329 606362474 /nfs/dbraw/zinc/36/24/74/606362474.db2.gz TYZXLVURZFPJPD-OAHLLOKOSA-N -1 3 389.818 3.133 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820939329 606362476 /nfs/dbraw/zinc/36/24/76/606362476.db2.gz TYZXLVURZFPJPD-OAHLLOKOSA-N -1 3 389.818 3.133 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000821613438 606362939 /nfs/dbraw/zinc/36/29/39/606362939.db2.gz NNJAOYVOHCZFBZ-UHFFFAOYSA-N -1 3 393.781 3.394 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000821613438 606362940 /nfs/dbraw/zinc/36/29/40/606362940.db2.gz NNJAOYVOHCZFBZ-UHFFFAOYSA-N -1 3 393.781 3.394 20 0 GGADHM O=C(N[C@H]1CCCSC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823150411 606365312 /nfs/dbraw/zinc/36/53/12/606365312.db2.gz OYYJYKXBKANFBH-KRWDZBQOSA-N -1 3 395.488 3.071 20 0 GGADHM CC(=O)c1ccc2cc(OCC(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000819834670 606366847 /nfs/dbraw/zinc/36/68/47/606366847.db2.gz RBGMGRVZDIVZHN-UHFFFAOYSA-N -1 3 387.399 3.240 20 0 GGADHM CC(=O)c1ccc2cc(OCC(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000819834670 606366848 /nfs/dbraw/zinc/36/68/48/606366848.db2.gz RBGMGRVZDIVZHN-UHFFFAOYSA-N -1 3 387.399 3.240 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000820938725 606372202 /nfs/dbraw/zinc/37/22/02/606372202.db2.gz MPIMKDQHSADHLP-ZDUSSCGKSA-N -1 3 388.811 3.292 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000820938725 606372203 /nfs/dbraw/zinc/37/22/03/606372203.db2.gz MPIMKDQHSADHLP-ZDUSSCGKSA-N -1 3 388.811 3.292 20 0 GGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820939072 606373633 /nfs/dbraw/zinc/37/36/33/606373633.db2.gz PUHPDTPWDLRWJM-PVUWLOKVSA-N -1 3 376.432 3.423 20 0 GGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820939072 606373635 /nfs/dbraw/zinc/37/36/35/606373635.db2.gz PUHPDTPWDLRWJM-PVUWLOKVSA-N -1 3 376.432 3.423 20 0 GGADHM Cc1ccc2c(c1)O[C@@H](C)CN2CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822279948 606376438 /nfs/dbraw/zinc/37/64/38/606376438.db2.gz GLVJFAHTMFCABF-LBPRGKRZSA-N -1 3 398.854 3.055 20 0 GGADHM Cc1ccc2c(c1)O[C@@H](C)CN2CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822279948 606376440 /nfs/dbraw/zinc/37/64/40/606376440.db2.gz GLVJFAHTMFCABF-LBPRGKRZSA-N -1 3 398.854 3.055 20 0 GGADHM CC(C)CC(=O)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820050820 606376441 /nfs/dbraw/zinc/37/64/41/606376441.db2.gz GURKBDBOQQTEFL-UHFFFAOYSA-N -1 3 394.431 3.218 20 0 GGADHM CC(C)CC(=O)COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820050820 606376443 /nfs/dbraw/zinc/37/64/43/606376443.db2.gz GURKBDBOQQTEFL-UHFFFAOYSA-N -1 3 394.431 3.218 20 0 GGADHM O=C(Nc1cc(F)ccc1O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823299103 606379987 /nfs/dbraw/zinc/37/99/87/606379987.db2.gz HXUGPKSCDWCTPP-UHFFFAOYSA-N -1 3 392.350 3.151 20 0 GGADHM O=C(Nc1cc(F)ccc1O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823299103 606379988 /nfs/dbraw/zinc/37/99/88/606379988.db2.gz HXUGPKSCDWCTPP-UHFFFAOYSA-N -1 3 392.350 3.151 20 0 GGADHM O=C(CCc1ccc(Br)cc1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822978763 606381084 /nfs/dbraw/zinc/38/10/84/606381084.db2.gz PUCDDTOJXVHGMP-UHFFFAOYSA-N -1 3 387.237 3.305 20 0 GGADHM O=C(CCc1ccc(Br)cc1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822978763 606381086 /nfs/dbraw/zinc/38/10/86/606381086.db2.gz PUCDDTOJXVHGMP-UHFFFAOYSA-N -1 3 387.237 3.305 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC000822665753 606381468 /nfs/dbraw/zinc/38/14/68/606381468.db2.gz XMJOXONJWURNBO-UHFFFAOYSA-N -1 3 389.415 3.141 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC000822665753 606381470 /nfs/dbraw/zinc/38/14/70/606381470.db2.gz XMJOXONJWURNBO-UHFFFAOYSA-N -1 3 389.415 3.141 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000821406495 606382151 /nfs/dbraw/zinc/38/21/51/606382151.db2.gz GKKLJODHLJKKPP-KBPBESRZSA-N -1 3 390.513 3.451 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000821406495 606382153 /nfs/dbraw/zinc/38/21/53/606382153.db2.gz GKKLJODHLJKKPP-KBPBESRZSA-N -1 3 390.513 3.451 20 0 GGADHM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821457554 606382652 /nfs/dbraw/zinc/38/26/52/606382652.db2.gz XBAVGCDMEYEAIM-ZWNOBZJWSA-N -1 3 398.439 3.264 20 0 GGADHM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821457554 606382654 /nfs/dbraw/zinc/38/26/54/606382654.db2.gz XBAVGCDMEYEAIM-ZWNOBZJWSA-N -1 3 398.439 3.264 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821640554 606416765 /nfs/dbraw/zinc/41/67/65/606416765.db2.gz KSUJWYBXGOHQMF-QFYYESIMSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821640554 606416767 /nfs/dbraw/zinc/41/67/67/606416767.db2.gz KSUJWYBXGOHQMF-QFYYESIMSA-N -1 3 389.818 3.224 20 0 GGADHM O=C(Cc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1)N1CCc2ccccc21 ZINC000823083167 606430764 /nfs/dbraw/zinc/43/07/64/606430764.db2.gz ZSXPUJGNPKLJTL-UHFFFAOYSA-N -1 3 397.442 3.137 20 0 GGADHM O=C(Cc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1)N1CCc2ccccc21 ZINC000823083167 606430765 /nfs/dbraw/zinc/43/07/65/606430765.db2.gz ZSXPUJGNPKLJTL-UHFFFAOYSA-N -1 3 397.442 3.137 20 0 GGADHM C[S@](=O)c1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821943159 606431032 /nfs/dbraw/zinc/43/10/32/606431032.db2.gz TXAQWMMPLMJROG-SANMLTNESA-N -1 3 381.383 3.235 20 0 GGADHM C[S@](=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821943159 606431034 /nfs/dbraw/zinc/43/10/34/606431034.db2.gz TXAQWMMPLMJROG-SANMLTNESA-N -1 3 381.383 3.235 20 0 GGADHM C[S@@](=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000821942444 606431310 /nfs/dbraw/zinc/43/13/10/606431310.db2.gz NUGSUYMRDMLWFO-AREMUKBSSA-N -1 3 381.383 3.235 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2cc(Nc3ncccc3-c3nnn[n-]3)ccc21 ZINC000819933671 606431484 /nfs/dbraw/zinc/43/14/84/606431484.db2.gz ZIRLDHILCNUTEF-UHFFFAOYSA-N -1 3 379.424 3.303 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2cc(Nc3ncccc3-c3nn[n-]n3)ccc21 ZINC000819933671 606431486 /nfs/dbraw/zinc/43/14/86/606431486.db2.gz ZIRLDHILCNUTEF-UHFFFAOYSA-N -1 3 379.424 3.303 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821034588 606444648 /nfs/dbraw/zinc/44/46/48/606444648.db2.gz PMFPEFUBBWLKFI-APWZRJJASA-N -1 3 377.448 3.364 20 0 GGADHM CCC[C@H]1C[C@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821035057 606444808 /nfs/dbraw/zinc/44/48/08/606444808.db2.gz ZUYAUZDZTKUFAD-HNAYVOBHSA-N -1 3 377.448 3.364 20 0 GGADHM CCC[C@H]1C[C@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821035057 606444810 /nfs/dbraw/zinc/44/48/10/606444810.db2.gz ZUYAUZDZTKUFAD-HNAYVOBHSA-N -1 3 377.448 3.364 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1cccnc1 ZINC000822774496 606445106 /nfs/dbraw/zinc/44/51/06/606445106.db2.gz KMOBSUYXJPPXOW-HNNXBMFYSA-N -1 3 379.374 3.430 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1cccnc1 ZINC000822774496 606445107 /nfs/dbraw/zinc/44/51/07/606445107.db2.gz KMOBSUYXJPPXOW-HNNXBMFYSA-N -1 3 379.374 3.430 20 0 GGADHM CCC1(CNC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000820962044 606448426 /nfs/dbraw/zinc/44/84/26/606448426.db2.gz GMNUUFGBZDXJIL-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823074791 606449878 /nfs/dbraw/zinc/44/98/78/606449878.db2.gz WJEYBDWGLIWDKO-UHFFFAOYSA-N -1 3 379.851 3.379 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823074791 606449880 /nfs/dbraw/zinc/44/98/80/606449880.db2.gz WJEYBDWGLIWDKO-UHFFFAOYSA-N -1 3 379.851 3.379 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000821412503 606450082 /nfs/dbraw/zinc/45/00/82/606450082.db2.gz MRWNVVNLNDHJRY-UHFFFAOYSA-N -1 3 392.463 3.114 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000821412503 606450084 /nfs/dbraw/zinc/45/00/84/606450084.db2.gz MRWNVVNLNDHJRY-UHFFFAOYSA-N -1 3 392.463 3.114 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000822191583 606451955 /nfs/dbraw/zinc/45/19/55/606451955.db2.gz KQZYBHRCRHCOTA-AWEZNQCLSA-N -1 3 375.436 3.404 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000822191583 606451956 /nfs/dbraw/zinc/45/19/56/606451956.db2.gz KQZYBHRCRHCOTA-AWEZNQCLSA-N -1 3 375.436 3.404 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(C)Cc1c(F)cccc1Cl ZINC000822220241 606454602 /nfs/dbraw/zinc/45/46/02/606454602.db2.gz JISHDPWTZXWWNU-UHFFFAOYSA-N -1 3 388.834 3.038 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(C)Cc1c(F)cccc1Cl ZINC000822220241 606454604 /nfs/dbraw/zinc/45/46/04/606454604.db2.gz JISHDPWTZXWWNU-UHFFFAOYSA-N -1 3 388.834 3.038 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000821699443 606461538 /nfs/dbraw/zinc/46/15/38/606461538.db2.gz PWPSDQCKVVAZTH-UHFFFAOYSA-N -1 3 381.779 3.296 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]3c3ccccn3)c2c1 ZINC000822753065 606461539 /nfs/dbraw/zinc/46/15/39/606461539.db2.gz BIGHDERTEPTQIU-MRXNPFEDSA-N -1 3 379.374 3.430 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]3c3ccccn3)c2c1 ZINC000822753065 606461541 /nfs/dbraw/zinc/46/15/41/606461541.db2.gz BIGHDERTEPTQIU-MRXNPFEDSA-N -1 3 379.374 3.430 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000821699443 606461540 /nfs/dbraw/zinc/46/15/40/606461540.db2.gz PWPSDQCKVVAZTH-UHFFFAOYSA-N -1 3 381.779 3.296 20 0 GGADHM CCOCCOCc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000821383907 606463909 /nfs/dbraw/zinc/46/39/09/606463909.db2.gz KXZWUQUZENZDSO-UHFFFAOYSA-N -1 3 385.443 3.479 20 0 GGADHM CCOCCOCc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000821383907 606463911 /nfs/dbraw/zinc/46/39/11/606463911.db2.gz KXZWUQUZENZDSO-UHFFFAOYSA-N -1 3 385.443 3.479 20 0 GGADHM CC(=O)c1cc(Br)ccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819834017 606463900 /nfs/dbraw/zinc/46/39/00/606463900.db2.gz KZSZTBJNTWKEMK-UHFFFAOYSA-N -1 3 393.222 3.113 20 0 GGADHM CC(=O)c1cc(Br)ccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819834017 606463901 /nfs/dbraw/zinc/46/39/01/606463901.db2.gz KZSZTBJNTWKEMK-UHFFFAOYSA-N -1 3 393.222 3.113 20 0 GGADHM COc1ccc(-c2nc(COC(=O)c3cc(-c4nnn[n-]4)cs3)cs2)cc1 ZINC000821732883 606468820 /nfs/dbraw/zinc/46/88/20/606468820.db2.gz WKJRKNIAVFOAJV-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM COc1ccc(-c2nc(COC(=O)c3cc(-c4nn[n-]n4)cs3)cs2)cc1 ZINC000821732883 606468822 /nfs/dbraw/zinc/46/88/22/606468822.db2.gz WKJRKNIAVFOAJV-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000821395579 606470120 /nfs/dbraw/zinc/47/01/20/606470120.db2.gz ZUISWNRIOFKPKS-UHFFFAOYSA-N -1 3 396.428 3.186 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000821395579 606470122 /nfs/dbraw/zinc/47/01/22/606470122.db2.gz ZUISWNRIOFKPKS-UHFFFAOYSA-N -1 3 396.428 3.186 20 0 GGADHM c1sc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1-c1nnn[n-]1 ZINC000823756788 606471694 /nfs/dbraw/zinc/47/16/94/606471694.db2.gz HWBCBAWVWXKXQX-UHFFFAOYSA-N -1 3 380.437 3.031 20 0 GGADHM c1sc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1-c1nn[n-]n1 ZINC000823756788 606471695 /nfs/dbraw/zinc/47/16/95/606471695.db2.gz HWBCBAWVWXKXQX-UHFFFAOYSA-N -1 3 380.437 3.031 20 0 GGADHM CN(c1ccc(-c2nn[n-]n2)cc1F)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000821619341 606474255 /nfs/dbraw/zinc/47/42/55/606474255.db2.gz RRMNNLYBJIPAFQ-UHFFFAOYSA-N -1 3 390.463 3.278 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N(CC1CCC1)c1ccccc1 ZINC000823566278 606474289 /nfs/dbraw/zinc/47/42/89/606474289.db2.gz DMZJVBPPMGLSHM-UHFFFAOYSA-N -1 3 383.477 3.003 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N(CC1CCC1)c1ccccc1 ZINC000823566278 606474291 /nfs/dbraw/zinc/47/42/91/606474291.db2.gz DMZJVBPPMGLSHM-UHFFFAOYSA-N -1 3 383.477 3.003 20 0 GGADHM Cc1cc(NC2CCC(C)(O)CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209650 606478029 /nfs/dbraw/zinc/47/80/29/606478029.db2.gz QQVSWDNGXYOPFO-UHFFFAOYSA-N -1 3 377.452 3.082 20 0 GGADHM Cc1cc(NC2CCC(C)(O)CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209650 606478031 /nfs/dbraw/zinc/47/80/31/606478031.db2.gz QQVSWDNGXYOPFO-UHFFFAOYSA-N -1 3 377.452 3.082 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ncccc1OCC(F)(F)F ZINC000823308489 606479546 /nfs/dbraw/zinc/47/95/46/606479546.db2.gz BTUHJSQWXWZJGB-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ncccc1OCC(F)(F)F ZINC000823308489 606479548 /nfs/dbraw/zinc/47/95/48/606479548.db2.gz BTUHJSQWXWZJGB-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM Cc1cc(N2CCO[C@H]3CCCC[C@H]32)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822207049 606481221 /nfs/dbraw/zinc/48/12/21/606481221.db2.gz JJBYYFXVLUMCET-SJORKVTESA-N -1 3 389.463 3.124 20 0 GGADHM Cc1cc(N2CCO[C@H]3CCCC[C@H]32)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822207049 606481222 /nfs/dbraw/zinc/48/12/22/606481222.db2.gz JJBYYFXVLUMCET-SJORKVTESA-N -1 3 389.463 3.124 20 0 GGADHM COc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)cc1OC(F)F)CC2 ZINC000821849662 606485853 /nfs/dbraw/zinc/48/58/53/606485853.db2.gz ODOLYTUOIHPOON-UHFFFAOYSA-N -1 3 387.390 3.035 20 0 GGADHM COc1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)cc1OC(F)F)CC2 ZINC000821849662 606485855 /nfs/dbraw/zinc/48/58/55/606485855.db2.gz ODOLYTUOIHPOON-UHFFFAOYSA-N -1 3 387.390 3.035 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2n1C(F)F ZINC000820390055 606486464 /nfs/dbraw/zinc/48/64/64/606486464.db2.gz DMTLDIAZGUKLPP-QMMMGPOBSA-N -1 3 389.391 3.164 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2n1C(F)F ZINC000820390055 606486466 /nfs/dbraw/zinc/48/64/66/606486466.db2.gz DMTLDIAZGUKLPP-QMMMGPOBSA-N -1 3 389.391 3.164 20 0 GGADHM O=C(Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1)c1ccco1 ZINC000823350175 606488230 /nfs/dbraw/zinc/48/82/30/606488230.db2.gz BWCWRBXBXQEDOT-UHFFFAOYSA-N -1 3 380.389 3.026 20 0 GGADHM O=C(Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1)c1ccco1 ZINC000823350175 606488232 /nfs/dbraw/zinc/48/82/32/606488232.db2.gz BWCWRBXBXQEDOT-UHFFFAOYSA-N -1 3 380.389 3.026 20 0 GGADHM COc1cccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)n1 ZINC000821854863 606492559 /nfs/dbraw/zinc/49/25/59/606492559.db2.gz YOMPOVCGQHFUJC-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM COc1cccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)n1 ZINC000821854863 606492560 /nfs/dbraw/zinc/49/25/60/606492560.db2.gz YOMPOVCGQHFUJC-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000823472354 606493790 /nfs/dbraw/zinc/49/37/90/606493790.db2.gz JIDZLVXHICBCOP-UHFFFAOYSA-N -1 3 395.366 3.420 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000823472354 606493791 /nfs/dbraw/zinc/49/37/91/606493791.db2.gz JIDZLVXHICBCOP-UHFFFAOYSA-N -1 3 395.366 3.420 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000821860107 606496952 /nfs/dbraw/zinc/49/69/52/606496952.db2.gz XCTAFDHVPSBUAB-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000821860107 606496954 /nfs/dbraw/zinc/49/69/54/606496954.db2.gz XCTAFDHVPSBUAB-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822596425 606498082 /nfs/dbraw/zinc/49/80/82/606498082.db2.gz JFXMJZXORJXINV-OAHLLOKOSA-N -1 3 393.476 3.182 20 0 GGADHM Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822596425 606498083 /nfs/dbraw/zinc/49/80/83/606498083.db2.gz JFXMJZXORJXINV-OAHLLOKOSA-N -1 3 393.476 3.182 20 0 GGADHM CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821343239 606499023 /nfs/dbraw/zinc/49/90/23/606499023.db2.gz MFRVFIJYARIHFI-UHFFFAOYSA-N -1 3 397.460 3.162 20 0 GGADHM CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821343239 606499025 /nfs/dbraw/zinc/49/90/25/606499025.db2.gz MFRVFIJYARIHFI-UHFFFAOYSA-N -1 3 397.460 3.162 20 0 GGADHM Cc1cc(Br)cc(C)c1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822160651 606501025 /nfs/dbraw/zinc/50/10/25/606501025.db2.gz JPZHULRXPVZKFG-UHFFFAOYSA-N -1 3 392.282 3.238 20 0 GGADHM Cc1cc(Br)cc(C)c1CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822160651 606501026 /nfs/dbraw/zinc/50/10/26/606501026.db2.gz JPZHULRXPVZKFG-UHFFFAOYSA-N -1 3 392.282 3.238 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000821673929 606503253 /nfs/dbraw/zinc/50/32/53/606503253.db2.gz OOYAKMXSXXIITP-GFCCVEGCSA-N -1 3 398.492 3.144 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000821673929 606503254 /nfs/dbraw/zinc/50/32/54/606503254.db2.gz OOYAKMXSXXIITP-GFCCVEGCSA-N -1 3 398.492 3.144 20 0 GGADHM COc1cc(Cl)c(Cl)cc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821716646 606503610 /nfs/dbraw/zinc/50/36/10/606503610.db2.gz DJCSZTZMMYEYJA-UHFFFAOYSA-N -1 3 378.219 3.112 20 0 GGADHM COc1cc(Cl)c(Cl)cc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821716646 606503611 /nfs/dbraw/zinc/50/36/11/606503611.db2.gz DJCSZTZMMYEYJA-UHFFFAOYSA-N -1 3 378.219 3.112 20 0 GGADHM COc1ccc(Cl)c2c1N(C(=O)c1cc(-c3nnn[n-]3)cs1)CCC2 ZINC000821824645 606506140 /nfs/dbraw/zinc/50/61/40/606506140.db2.gz OMSJPQNGUCPIOX-UHFFFAOYSA-N -1 3 375.841 3.183 20 0 GGADHM COc1ccc(Cl)c2c1N(C(=O)c1cc(-c3nn[n-]n3)cs1)CCC2 ZINC000821824645 606506141 /nfs/dbraw/zinc/50/61/41/606506141.db2.gz OMSJPQNGUCPIOX-UHFFFAOYSA-N -1 3 375.841 3.183 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000820334521 606506409 /nfs/dbraw/zinc/50/64/09/606506409.db2.gz MWZSMDZGPNEEKQ-LLVKDONJSA-N -1 3 391.353 3.185 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000820334521 606506412 /nfs/dbraw/zinc/50/64/12/606506412.db2.gz MWZSMDZGPNEEKQ-LLVKDONJSA-N -1 3 391.353 3.185 20 0 GGADHM CC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000820914624 606508253 /nfs/dbraw/zinc/50/82/53/606508253.db2.gz QFQOJSBEEOSXPB-HNNXBMFYSA-N -1 3 387.390 3.278 20 0 GGADHM CC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000820914624 606508255 /nfs/dbraw/zinc/50/82/55/606508255.db2.gz QFQOJSBEEOSXPB-HNNXBMFYSA-N -1 3 387.390 3.278 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000823108741 606509500 /nfs/dbraw/zinc/50/95/00/606509500.db2.gz QZFNPFDAPWFTJC-UHFFFAOYSA-N -1 3 398.398 3.450 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000823108741 606509502 /nfs/dbraw/zinc/50/95/02/606509502.db2.gz QZFNPFDAPWFTJC-UHFFFAOYSA-N -1 3 398.398 3.450 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820292343 606510680 /nfs/dbraw/zinc/51/06/80/606510680.db2.gz CYUMWDYWMUKAPO-VIFPVBQESA-N -1 3 381.383 3.308 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820292343 606510681 /nfs/dbraw/zinc/51/06/81/606510681.db2.gz CYUMWDYWMUKAPO-VIFPVBQESA-N -1 3 381.383 3.308 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccccc1OCc1ccccc1 ZINC000823097814 606513807 /nfs/dbraw/zinc/51/38/07/606513807.db2.gz CLIRVGSBRWLVQE-UHFFFAOYSA-N -1 3 399.454 3.305 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccccc1OCc1ccccc1 ZINC000823097814 606513808 /nfs/dbraw/zinc/51/38/08/606513808.db2.gz CLIRVGSBRWLVQE-UHFFFAOYSA-N -1 3 399.454 3.305 20 0 GGADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820254497 606514952 /nfs/dbraw/zinc/51/49/52/606514952.db2.gz QCHFMZHNKTWLGK-INIZCTEOSA-N -1 3 393.491 3.334 20 0 GGADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820254497 606514953 /nfs/dbraw/zinc/51/49/53/606514953.db2.gz QCHFMZHNKTWLGK-INIZCTEOSA-N -1 3 393.491 3.334 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000823087237 606517335 /nfs/dbraw/zinc/51/73/35/606517335.db2.gz LMPMREXDQUOIIQ-UHFFFAOYSA-N -1 3 388.406 3.177 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000823087237 606517338 /nfs/dbraw/zinc/51/73/38/606517338.db2.gz LMPMREXDQUOIIQ-UHFFFAOYSA-N -1 3 388.406 3.177 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC(c1ccccc1)c1ccccc1 ZINC000823093033 606520414 /nfs/dbraw/zinc/52/04/14/606520414.db2.gz SKMHXUWILOPXFA-UHFFFAOYSA-N -1 3 383.455 3.358 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC(c1ccccc1)c1ccccc1 ZINC000823093033 606520417 /nfs/dbraw/zinc/52/04/17/606520417.db2.gz SKMHXUWILOPXFA-UHFFFAOYSA-N -1 3 383.455 3.358 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1cccc(OCc2ccccc2)c1 ZINC000823097991 606526911 /nfs/dbraw/zinc/52/69/11/606526911.db2.gz GONDNNZJRNNOOQ-UHFFFAOYSA-N -1 3 399.454 3.305 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1cccc(OCc2ccccc2)c1 ZINC000823097991 606526913 /nfs/dbraw/zinc/52/69/13/606526913.db2.gz GONDNNZJRNNOOQ-UHFFFAOYSA-N -1 3 399.454 3.305 20 0 GGADHM CCC1(C(=O)Nc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000820945801 606529028 /nfs/dbraw/zinc/52/90/28/606529028.db2.gz WCKVFXITIAXMOF-UHFFFAOYSA-N -1 3 387.494 3.139 20 0 GGADHM CCC1(C(=O)Nc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000820945801 606529029 /nfs/dbraw/zinc/52/90/29/606529029.db2.gz WCKVFXITIAXMOF-UHFFFAOYSA-N -1 3 387.494 3.139 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820353412 606529121 /nfs/dbraw/zinc/52/91/21/606529121.db2.gz ZTYMCQJCAPJFLM-PJHJGJPPSA-N -1 3 392.463 3.180 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820353412 606529122 /nfs/dbraw/zinc/52/91/22/606529122.db2.gz ZTYMCQJCAPJFLM-PJHJGJPPSA-N -1 3 392.463 3.180 20 0 GGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(OCC(F)(F)F)c1 ZINC000822248345 606533448 /nfs/dbraw/zinc/53/34/48/606533448.db2.gz BCMMPYJKYJZRHF-UHFFFAOYSA-N -1 3 391.353 3.297 20 0 GGADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(OCC(F)(F)F)c1 ZINC000822248345 606533450 /nfs/dbraw/zinc/53/34/50/606533450.db2.gz BCMMPYJKYJZRHF-UHFFFAOYSA-N -1 3 391.353 3.297 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCc1cccc(C(F)(F)F)c1 ZINC000823097789 606535337 /nfs/dbraw/zinc/53/53/37/606535337.db2.gz BMQQUUCPWOZEIQ-UHFFFAOYSA-N -1 3 389.381 3.177 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCc1cccc(C(F)(F)F)c1 ZINC000823097789 606535338 /nfs/dbraw/zinc/53/53/38/606535338.db2.gz BMQQUUCPWOZEIQ-UHFFFAOYSA-N -1 3 389.381 3.177 20 0 GGADHM CC(C)(NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000819987583 606546795 /nfs/dbraw/zinc/54/67/95/606546795.db2.gz ALHWSNVMKFHOJF-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM CC(C)(NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000819987583 606546797 /nfs/dbraw/zinc/54/67/97/606546797.db2.gz ALHWSNVMKFHOJF-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000823061101 606549953 /nfs/dbraw/zinc/54/99/53/606549953.db2.gz VUXBXEZYBOXKBW-UHFFFAOYSA-N -1 3 399.442 3.291 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000823061101 606549954 /nfs/dbraw/zinc/54/99/54/606549954.db2.gz VUXBXEZYBOXKBW-UHFFFAOYSA-N -1 3 399.442 3.291 20 0 GGADHM C[C@@H](N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1(C)CC1 ZINC000820307587 606552139 /nfs/dbraw/zinc/55/21/39/606552139.db2.gz OINVWEUOMFOGKE-CYBMUJFWSA-N -1 3 381.436 3.299 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000820529130 606552323 /nfs/dbraw/zinc/55/23/23/606552323.db2.gz PFPGQILKQQXSMO-OUCADQQQSA-N -1 3 397.401 3.119 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822978413 606554282 /nfs/dbraw/zinc/55/42/82/606554282.db2.gz KDEFZWKWYALGLC-HIFRSBDPSA-N -1 3 381.402 3.284 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822978413 606554283 /nfs/dbraw/zinc/55/42/83/606554283.db2.gz KDEFZWKWYALGLC-HIFRSBDPSA-N -1 3 381.402 3.284 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1CCC(c2ccccc2)CC1 ZINC000823093373 606555486 /nfs/dbraw/zinc/55/54/86/606555486.db2.gz WDYYSOTUZBIZGE-UHFFFAOYSA-N -1 3 375.476 3.499 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1CCC(c2ccccc2)CC1 ZINC000823093373 606555487 /nfs/dbraw/zinc/55/54/87/606555487.db2.gz WDYYSOTUZBIZGE-UHFFFAOYSA-N -1 3 375.476 3.499 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1c[nH]c2ccccc21 ZINC000823421709 606558091 /nfs/dbraw/zinc/55/80/91/606558091.db2.gz GXYRAPRGFPWDDR-UHFFFAOYSA-N -1 3 385.330 3.306 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1c[nH]c2ccccc21 ZINC000823421709 606558092 /nfs/dbraw/zinc/55/80/92/606558092.db2.gz GXYRAPRGFPWDDR-UHFFFAOYSA-N -1 3 385.330 3.306 20 0 GGADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccccc1F ZINC000819882500 606558312 /nfs/dbraw/zinc/55/83/12/606558312.db2.gz ANURMRVTSJRSJX-JTQLQIEISA-N -1 3 392.337 3.454 20 0 GGADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccccc1F ZINC000819882500 606558313 /nfs/dbraw/zinc/55/83/13/606558313.db2.gz ANURMRVTSJRSJX-JTQLQIEISA-N -1 3 392.337 3.454 20 0 GGADHM CN(C)C(=O)Sc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821578146 606562191 /nfs/dbraw/zinc/56/21/91/606562191.db2.gz PMXDBIIRDDJECO-UHFFFAOYSA-N -1 3 389.462 3.059 20 0 GGADHM CN(C)C(=O)Sc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821578146 606562192 /nfs/dbraw/zinc/56/21/92/606562192.db2.gz PMXDBIIRDDJECO-UHFFFAOYSA-N -1 3 389.462 3.059 20 0 GGADHM O=C(C/C=C\c1cccc(F)c1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822946207 606562672 /nfs/dbraw/zinc/56/26/72/606562672.db2.gz XDAUQIBHCHNRBM-RQOWECAXSA-N -1 3 389.394 3.234 20 0 GGADHM Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(-c4nnn[n-]4)cs3)o2)c1 ZINC000822284528 606563104 /nfs/dbraw/zinc/56/31/04/606563104.db2.gz SXHGHYNPKBDDLA-JTQLQIEISA-N -1 3 382.405 3.205 20 0 GGADHM Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(-c4nn[n-]n4)cs3)o2)c1 ZINC000822284528 606563106 /nfs/dbraw/zinc/56/31/06/606563106.db2.gz SXHGHYNPKBDDLA-JTQLQIEISA-N -1 3 382.405 3.205 20 0 GGADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)Nc1c(Cl)cccc1Cl ZINC000823022791 606567772 /nfs/dbraw/zinc/56/77/72/606567772.db2.gz PBONVHSNLRXJCY-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)Nc1c(Cl)cccc1Cl ZINC000823022791 606567773 /nfs/dbraw/zinc/56/77/73/606567773.db2.gz PBONVHSNLRXJCY-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(F)(F)C(F)F ZINC000823253738 606570567 /nfs/dbraw/zinc/57/05/67/606570567.db2.gz LKBHQHHCZIBPQP-UHFFFAOYSA-N -1 3 385.346 3.112 20 0 GGADHM CSCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2[nH]1 ZINC000821962963 606570715 /nfs/dbraw/zinc/57/07/15/606570715.db2.gz ZKNOCDXBBKQZCF-ZDUSSCGKSA-N -1 3 399.505 3.029 20 0 GGADHM CSCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2[nH]1 ZINC000821962963 606570716 /nfs/dbraw/zinc/57/07/16/606570716.db2.gz ZKNOCDXBBKQZCF-ZDUSSCGKSA-N -1 3 399.505 3.029 20 0 GGADHM O=C(OCc1ccc(OCc2ccncc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823426909 606571310 /nfs/dbraw/zinc/57/13/10/606571310.db2.gz QLMPSWBETGSXSA-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM O=C(OCc1ccc(OCc2ccncc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823426909 606571311 /nfs/dbraw/zinc/57/13/11/606571311.db2.gz QLMPSWBETGSXSA-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823092409 606571708 /nfs/dbraw/zinc/57/17/08/606571708.db2.gz FDUVLSPFYZZRKB-OAHLLOKOSA-N -1 3 395.772 3.482 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823092409 606571710 /nfs/dbraw/zinc/57/17/10/606571710.db2.gz FDUVLSPFYZZRKB-OAHLLOKOSA-N -1 3 395.772 3.482 20 0 GGADHM CC(C)N(C[C@@H](C)O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820473421 606574392 /nfs/dbraw/zinc/57/43/92/606574392.db2.gz CCZGDYOUKPTOMA-CQSZACIVSA-N -1 3 396.451 3.282 20 0 GGADHM CC(C)N(C[C@@H](C)O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820473421 606574393 /nfs/dbraw/zinc/57/43/93/606574393.db2.gz CCZGDYOUKPTOMA-CQSZACIVSA-N -1 3 396.451 3.282 20 0 GGADHM O=C(Nc1cc(Cc2ccccc2)ccc1O)c1cc(-c2nnn[n-]2)cs1 ZINC000823299059 606585882 /nfs/dbraw/zinc/58/58/82/606585882.db2.gz FMXVNQGJURWJEL-UHFFFAOYSA-N -1 3 377.429 3.477 20 0 GGADHM O=C(Nc1cc(Cc2ccccc2)ccc1O)c1cc(-c2nn[n-]n2)cs1 ZINC000823299059 606585883 /nfs/dbraw/zinc/58/58/83/606585883.db2.gz FMXVNQGJURWJEL-UHFFFAOYSA-N -1 3 377.429 3.477 20 0 GGADHM Cc1cccc(CC2CN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000822299460 606588702 /nfs/dbraw/zinc/58/87/02/606588702.db2.gz JNMQLYCQMBYHEL-HNNXBMFYSA-N -1 3 376.464 3.120 20 0 GGADHM Cc1cccc(CC2CN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000822299460 606588704 /nfs/dbraw/zinc/58/87/04/606588704.db2.gz JNMQLYCQMBYHEL-HNNXBMFYSA-N -1 3 376.464 3.120 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC(c2cccc(F)c2)CC1 ZINC000823235898 606588868 /nfs/dbraw/zinc/58/88/68/606588868.db2.gz ZRSNVTBKMIZXFV-UHFFFAOYSA-N -1 3 398.417 3.234 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC(c2cccc(F)c2)CC1 ZINC000823235898 606588869 /nfs/dbraw/zinc/58/88/69/606588869.db2.gz ZRSNVTBKMIZXFV-UHFFFAOYSA-N -1 3 398.417 3.234 20 0 GGADHM C[C@H](CC1CCCC1)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820235069 606592456 /nfs/dbraw/zinc/59/24/56/606592456.db2.gz QXRLKOMJTANFKM-OAHLLOKOSA-N -1 3 382.512 3.168 20 0 GGADHM C[C@H](CC1CCCC1)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820235069 606592458 /nfs/dbraw/zinc/59/24/58/606592458.db2.gz QXRLKOMJTANFKM-OAHLLOKOSA-N -1 3 382.512 3.168 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccc(C(F)F)cc1 ZINC000823155876 606593764 /nfs/dbraw/zinc/59/37/64/606593764.db2.gz ZJSDVKHUHWEYRO-UHFFFAOYSA-N -1 3 398.417 3.203 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccc(C(F)F)cc1 ZINC000823155876 606593767 /nfs/dbraw/zinc/59/37/67/606593767.db2.gz ZJSDVKHUHWEYRO-UHFFFAOYSA-N -1 3 398.417 3.203 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1COc1cccc(-n2cccn2)c1 ZINC000822732595 606595536 /nfs/dbraw/zinc/59/55/36/606595536.db2.gz LOZGNOISUZQOAA-UHFFFAOYSA-N -1 3 384.346 3.233 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1COc1cccc(-n2cccn2)c1 ZINC000822732595 606595538 /nfs/dbraw/zinc/59/55/38/606595538.db2.gz LOZGNOISUZQOAA-UHFFFAOYSA-N -1 3 384.346 3.233 20 0 GGADHM COC(=O)c1c(F)cccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821666982 606596693 /nfs/dbraw/zinc/59/66/93/606596693.db2.gz OSQFZVCIZIOHQF-UHFFFAOYSA-N -1 3 393.325 3.006 20 0 GGADHM COC(=O)c1c(F)cccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821666982 606596694 /nfs/dbraw/zinc/59/66/94/606596694.db2.gz OSQFZVCIZIOHQF-UHFFFAOYSA-N -1 3 393.325 3.006 20 0 GGADHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1OC ZINC000821846326 606597191 /nfs/dbraw/zinc/59/71/91/606597191.db2.gz QRBVQEHZASZYTL-UHFFFAOYSA-N -1 3 378.335 3.064 20 0 GGADHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1OC ZINC000821846326 606597193 /nfs/dbraw/zinc/59/71/93/606597193.db2.gz QRBVQEHZASZYTL-UHFFFAOYSA-N -1 3 378.335 3.064 20 0 GGADHM CCCc1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)no1 ZINC000821142328 606598201 /nfs/dbraw/zinc/59/82/01/606598201.db2.gz GQURVBDAVXVIEQ-UHFFFAOYSA-N -1 3 382.396 3.237 20 0 GGADHM CCCc1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)no1 ZINC000821142328 606598202 /nfs/dbraw/zinc/59/82/02/606598202.db2.gz GQURVBDAVXVIEQ-UHFFFAOYSA-N -1 3 382.396 3.237 20 0 GGADHM CC[C@@H](C)NC(=O)[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820875684 606598210 /nfs/dbraw/zinc/59/82/10/606598210.db2.gz CIWHQYHCYZIHGV-ZJUUUORDSA-N -1 3 385.440 3.005 20 0 GGADHM CC[C@@H](C)NC(=O)[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820875684 606598211 /nfs/dbraw/zinc/59/82/11/606598211.db2.gz CIWHQYHCYZIHGV-ZJUUUORDSA-N -1 3 385.440 3.005 20 0 GGADHM CCC(C)(C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820848381 606598362 /nfs/dbraw/zinc/59/83/62/606598362.db2.gz WRMYESLKDMUSSB-UHFFFAOYSA-N -1 3 385.440 3.006 20 0 GGADHM CCC(C)(C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820848381 606598363 /nfs/dbraw/zinc/59/83/63/606598363.db2.gz WRMYESLKDMUSSB-UHFFFAOYSA-N -1 3 385.440 3.006 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1nccn1C(F)F ZINC000822732914 606599114 /nfs/dbraw/zinc/59/91/14/606599114.db2.gz ONPDLYAFXJPKCV-UHFFFAOYSA-N -1 3 388.350 3.493 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1nccn1C(F)F ZINC000822732914 606599116 /nfs/dbraw/zinc/59/91/16/606599116.db2.gz ONPDLYAFXJPKCV-UHFFFAOYSA-N -1 3 388.350 3.493 20 0 GGADHM CC1(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCOCC1 ZINC000820618838 606606114 /nfs/dbraw/zinc/60/61/14/606606114.db2.gz QDKVITNXQYTJGR-UHFFFAOYSA-N -1 3 392.463 3.157 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823009770 606606787 /nfs/dbraw/zinc/60/67/87/606606787.db2.gz STGKSFUYANRQFT-UHFFFAOYSA-N -1 3 390.369 3.412 20 0 GGADHM Cc1noc(C2CCC(Nc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)n1 ZINC000822528196 606610139 /nfs/dbraw/zinc/61/01/39/606610139.db2.gz WUCSFCUSCXJHRS-UHFFFAOYSA-N -1 3 394.361 3.110 20 0 GGADHM Cc1noc(C2CCC(Nc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)n1 ZINC000822528196 606610141 /nfs/dbraw/zinc/61/01/41/606610141.db2.gz WUCSFCUSCXJHRS-UHFFFAOYSA-N -1 3 394.361 3.110 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCC(=O)N[C@H](C)CCCC(C)C ZINC000821699182 606615234 /nfs/dbraw/zinc/61/52/34/606615234.db2.gz FNWUHGUDRQCSDE-GFCCVEGCSA-N -1 3 395.891 3.239 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCC(=O)N[C@H](C)CCCC(C)C ZINC000821699182 606615232 /nfs/dbraw/zinc/61/52/32/606615232.db2.gz FNWUHGUDRQCSDE-GFCCVEGCSA-N -1 3 395.891 3.239 20 0 GGADHM CC(C)CC(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820051936 606615434 /nfs/dbraw/zinc/61/54/34/606615434.db2.gz YKTJADWMNSZVGL-UHFFFAOYSA-N -1 3 379.848 3.074 20 0 GGADHM CC(C)CC(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820051936 606615435 /nfs/dbraw/zinc/61/54/35/606615435.db2.gz YKTJADWMNSZVGL-UHFFFAOYSA-N -1 3 379.848 3.074 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)/C=C2/CC[C@@H](C)C2)c1C ZINC000822482337 606621502 /nfs/dbraw/zinc/62/15/02/606621502.db2.gz PYNUMCJKXOPZFX-QJMZJAKPSA-N -1 3 377.452 3.354 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823040931 606623472 /nfs/dbraw/zinc/62/34/72/606623472.db2.gz SLLZYOANMYAGDD-UHFFFAOYSA-N -1 3 393.781 3.197 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823040931 606623475 /nfs/dbraw/zinc/62/34/75/606623475.db2.gz SLLZYOANMYAGDD-UHFFFAOYSA-N -1 3 393.781 3.197 20 0 GGADHM Fc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(I)c1 ZINC000822782697 606625308 /nfs/dbraw/zinc/62/53/08/606625308.db2.gz BGJLMLWSQIDZDV-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Fc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(I)c1 ZINC000822782697 606625310 /nfs/dbraw/zinc/62/53/10/606625310.db2.gz BGJLMLWSQIDZDV-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM CN(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821611047 606630754 /nfs/dbraw/zinc/63/07/54/606630754.db2.gz OTIFFATUOWNYKT-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM CN(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821611047 606630755 /nfs/dbraw/zinc/63/07/55/606630755.db2.gz OTIFFATUOWNYKT-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM O=C(/C=C/SCc1ccco1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822923041 606636454 /nfs/dbraw/zinc/63/64/54/606636454.db2.gz NFKAGQVNXQYPCQ-DHZHZOJOSA-N -1 3 393.432 3.031 20 0 GGADHM COC(C)(C)c1noc(-c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000821674283 606637853 /nfs/dbraw/zinc/63/78/53/606637853.db2.gz ZWQOHFNAZNNMAJ-UHFFFAOYSA-N -1 3 392.419 3.377 20 0 GGADHM COC(C)(C)c1noc(-c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000821674283 606637854 /nfs/dbraw/zinc/63/78/54/606637854.db2.gz ZWQOHFNAZNNMAJ-UHFFFAOYSA-N -1 3 392.419 3.377 20 0 GGADHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000822207518 606640360 /nfs/dbraw/zinc/64/03/60/606640360.db2.gz YRSMCPLNAICYOO-UHFFFAOYSA-N -1 3 386.843 3.411 20 0 GGADHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000822207518 606640361 /nfs/dbraw/zinc/64/03/61/606640361.db2.gz YRSMCPLNAICYOO-UHFFFAOYSA-N -1 3 386.843 3.411 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCO)[C@H]1CCCc2ccccc21 ZINC000822217912 606642251 /nfs/dbraw/zinc/64/22/51/606642251.db2.gz RNILBKANEKWQTP-IBGZPJMESA-N -1 3 392.463 3.079 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCO)[C@H]1CCCc2ccccc21 ZINC000822217912 606642252 /nfs/dbraw/zinc/64/22/52/606642252.db2.gz RNILBKANEKWQTP-IBGZPJMESA-N -1 3 392.463 3.079 20 0 GGADHM C[C@H](c1ccco1)N(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CC1 ZINC000820570024 606657146 /nfs/dbraw/zinc/65/71/46/606657146.db2.gz BTQICAUZDQTHHD-GFCCVEGCSA-N -1 3 377.408 3.235 20 0 GGADHM C[C@H](c1ccco1)N(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CC1 ZINC000820570024 606657147 /nfs/dbraw/zinc/65/71/47/606657147.db2.gz BTQICAUZDQTHHD-GFCCVEGCSA-N -1 3 377.408 3.235 20 0 GGADHM C[C@H](c1ccco1)N(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000820569907 606657192 /nfs/dbraw/zinc/65/71/92/606657192.db2.gz ANWUVVYHMHZJLM-LLVKDONJSA-N -1 3 386.843 3.277 20 0 GGADHM C[C@H](c1ccco1)N(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000820569907 606657193 /nfs/dbraw/zinc/65/71/93/606657193.db2.gz ANWUVVYHMHZJLM-LLVKDONJSA-N -1 3 386.843 3.277 20 0 GGADHM O=C(Nc1ccc(CCO)cc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823323557 606659314 /nfs/dbraw/zinc/65/93/14/606659314.db2.gz SPQYLDDGQKVBNL-UHFFFAOYSA-N -1 3 385.427 3.321 20 0 GGADHM O=C(Nc1ccc(CCO)cc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823323557 606659315 /nfs/dbraw/zinc/65/93/15/606659315.db2.gz SPQYLDDGQKVBNL-UHFFFAOYSA-N -1 3 385.427 3.321 20 0 GGADHM O=C1OC(c2ccccc2C(F)(F)F)=NC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823548332 606661843 /nfs/dbraw/zinc/66/18/43/606661843.db2.gz WKQLJJNFLNKWLH-ZROIWOOFSA-N -1 3 385.305 3.230 20 0 GGADHM O=C1OC(c2ccccc2C(F)(F)F)=NC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823548332 606661844 /nfs/dbraw/zinc/66/18/44/606661844.db2.gz WKQLJJNFLNKWLH-ZROIWOOFSA-N -1 3 385.305 3.230 20 0 GGADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821610966 606662129 /nfs/dbraw/zinc/66/21/29/606662129.db2.gz LVULQRCOTQAFJG-UHFFFAOYSA-N -1 3 395.316 3.019 20 0 GGADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821610966 606662130 /nfs/dbraw/zinc/66/21/30/606662130.db2.gz LVULQRCOTQAFJG-UHFFFAOYSA-N -1 3 395.316 3.019 20 0 GGADHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823323320 606662460 /nfs/dbraw/zinc/66/24/60/606662460.db2.gz KPNUTPRWXBLWPY-UHFFFAOYSA-N -1 3 392.369 3.383 20 0 GGADHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823323320 606662461 /nfs/dbraw/zinc/66/24/61/606662461.db2.gz KPNUTPRWXBLWPY-UHFFFAOYSA-N -1 3 392.369 3.383 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339684 606665818 /nfs/dbraw/zinc/66/58/18/606665818.db2.gz FXFJLEDYHDWUSK-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339684 606665819 /nfs/dbraw/zinc/66/58/19/606665819.db2.gz FXFJLEDYHDWUSK-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1c(F)cccc1F ZINC000821389166 606666293 /nfs/dbraw/zinc/66/62/93/606666293.db2.gz HRUXQFHXZYPSEI-UHFFFAOYSA-N -1 3 394.765 3.345 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1c(F)cccc1F ZINC000821389166 606666294 /nfs/dbraw/zinc/66/62/94/606666294.db2.gz HRUXQFHXZYPSEI-UHFFFAOYSA-N -1 3 394.765 3.345 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000821608437 606668019 /nfs/dbraw/zinc/66/80/19/606668019.db2.gz HFYJIVXCQMGDEQ-UHFFFAOYSA-N -1 3 393.838 3.182 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000821608437 606668020 /nfs/dbraw/zinc/66/80/20/606668020.db2.gz HFYJIVXCQMGDEQ-UHFFFAOYSA-N -1 3 393.838 3.182 20 0 GGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1OC(F)F ZINC000820384447 606668250 /nfs/dbraw/zinc/66/82/50/606668250.db2.gz FGAGOQHZGUSOSV-MRVPVSSYSA-N -1 3 395.316 3.237 20 0 GGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)F ZINC000820384447 606668251 /nfs/dbraw/zinc/66/82/51/606668251.db2.gz FGAGOQHZGUSOSV-MRVPVSSYSA-N -1 3 395.316 3.237 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCSc1ccccn1 ZINC000820086788 606670625 /nfs/dbraw/zinc/67/06/25/606670625.db2.gz FMVVRJKTDSLRSD-UHFFFAOYSA-N -1 3 396.520 3.429 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCSc1ccccn1 ZINC000820086788 606670626 /nfs/dbraw/zinc/67/06/26/606670626.db2.gz FMVVRJKTDSLRSD-UHFFFAOYSA-N -1 3 396.520 3.429 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@]1(C)CCCO1 ZINC000822205909 606671361 /nfs/dbraw/zinc/67/13/61/606671361.db2.gz NCJREINCWGFNBR-NRFANRHFSA-N -1 3 395.438 3.417 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@]1(C)CCCO1 ZINC000822205909 606671362 /nfs/dbraw/zinc/67/13/62/606671362.db2.gz NCJREINCWGFNBR-NRFANRHFSA-N -1 3 395.438 3.417 20 0 GGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCc2cc(Cl)ccc21 ZINC000823454715 606671714 /nfs/dbraw/zinc/67/17/14/606671714.db2.gz RUWHFGKMRMMAKU-UHFFFAOYSA-N -1 3 375.766 3.391 20 0 GGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCc2cc(Cl)ccc21 ZINC000823454715 606671715 /nfs/dbraw/zinc/67/17/15/606671715.db2.gz RUWHFGKMRMMAKU-UHFFFAOYSA-N -1 3 375.766 3.391 20 0 GGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820054527 606672559 /nfs/dbraw/zinc/67/25/59/606672559.db2.gz AGIUHZKNYPGTQZ-CQSZACIVSA-N -1 3 375.473 3.434 20 0 GGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820054527 606672560 /nfs/dbraw/zinc/67/25/60/606672560.db2.gz AGIUHZKNYPGTQZ-CQSZACIVSA-N -1 3 375.473 3.434 20 0 GGADHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823154554 606673206 /nfs/dbraw/zinc/67/32/06/606673206.db2.gz GENDYPQHHFSMLW-ZDUSSCGKSA-N -1 3 391.765 3.052 20 0 GGADHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823154554 606673207 /nfs/dbraw/zinc/67/32/07/606673207.db2.gz GENDYPQHHFSMLW-ZDUSSCGKSA-N -1 3 391.765 3.052 20 0 GGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000823455221 606674070 /nfs/dbraw/zinc/67/40/70/606674070.db2.gz YNMBJQUGQZSXPT-KRWDZBQOSA-N -1 3 381.386 3.437 20 0 GGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000823455221 606674071 /nfs/dbraw/zinc/67/40/71/606674071.db2.gz YNMBJQUGQZSXPT-KRWDZBQOSA-N -1 3 381.386 3.437 20 0 GGADHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139288 606674722 /nfs/dbraw/zinc/67/47/22/606674722.db2.gz BYEJJZXBPBTCGO-UHFFFAOYSA-N -1 3 387.365 3.483 20 0 GGADHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139288 606674723 /nfs/dbraw/zinc/67/47/23/606674723.db2.gz BYEJJZXBPBTCGO-UHFFFAOYSA-N -1 3 387.365 3.483 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822459253 606679454 /nfs/dbraw/zinc/67/94/54/606679454.db2.gz OTRNOBMHGFESIH-CYBMUJFWSA-N -1 3 390.419 3.059 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822459253 606679455 /nfs/dbraw/zinc/67/94/55/606679455.db2.gz OTRNOBMHGFESIH-CYBMUJFWSA-N -1 3 390.419 3.059 20 0 GGADHM Cc1ccc(OC2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000822263679 606680378 /nfs/dbraw/zinc/68/03/78/606680378.db2.gz WRGLESCNZZXZQH-UHFFFAOYSA-N -1 3 399.401 3.137 20 0 GGADHM Cc1ccc(OC2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000822263679 606680379 /nfs/dbraw/zinc/68/03/79/606680379.db2.gz WRGLESCNZZXZQH-UHFFFAOYSA-N -1 3 399.401 3.137 20 0 GGADHM O=C(Cc1c(F)cccc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823074927 606682620 /nfs/dbraw/zinc/68/26/20/606682620.db2.gz ZLGPJIHCHRDCOG-UHFFFAOYSA-N -1 3 383.280 3.345 20 0 GGADHM O=C(Cc1c(F)cccc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823074927 606682621 /nfs/dbraw/zinc/68/26/21/606682621.db2.gz ZLGPJIHCHRDCOG-UHFFFAOYSA-N -1 3 383.280 3.345 20 0 GGADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2cc(Cl)ccc2O1 ZINC000820742236 606683212 /nfs/dbraw/zinc/68/32/12/606683212.db2.gz IGFDPSLHIAFIDE-MRVPVSSYSA-N -1 3 391.765 3.226 20 0 GGADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2cc(Cl)ccc2O1 ZINC000820742236 606683213 /nfs/dbraw/zinc/68/32/13/606683213.db2.gz IGFDPSLHIAFIDE-MRVPVSSYSA-N -1 3 391.765 3.226 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820726924 606685750 /nfs/dbraw/zinc/68/57/50/606685750.db2.gz CWYHSLNVSMNQLH-XLFHBGCDSA-N -1 3 387.365 3.337 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820726924 606685751 /nfs/dbraw/zinc/68/57/51/606685751.db2.gz CWYHSLNVSMNQLH-XLFHBGCDSA-N -1 3 387.365 3.337 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820726925 606685815 /nfs/dbraw/zinc/68/58/15/606685815.db2.gz CWYHSLNVSMNQLH-XYZCENFISA-N -1 3 387.365 3.337 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820726925 606685816 /nfs/dbraw/zinc/68/58/16/606685816.db2.gz CWYHSLNVSMNQLH-XYZCENFISA-N -1 3 387.365 3.337 20 0 GGADHM CC(C)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820038058 606689161 /nfs/dbraw/zinc/68/91/61/606689161.db2.gz JQQYFHMPIFCEBU-CQSZACIVSA-N -1 3 381.436 3.157 20 0 GGADHM CC(C)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820038058 606689162 /nfs/dbraw/zinc/68/91/62/606689162.db2.gz JQQYFHMPIFCEBU-CQSZACIVSA-N -1 3 381.436 3.157 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nc2c(cccc2Cl)[nH]1 ZINC000823066369 606689244 /nfs/dbraw/zinc/68/92/44/606689244.db2.gz WTEJFQVEFDVAQF-UHFFFAOYSA-N -1 3 385.840 3.127 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820995876 606691204 /nfs/dbraw/zinc/69/12/04/606691204.db2.gz ZLMBLESDIUUUQK-MENFKHAKSA-N -1 3 388.475 3.137 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820995876 606691205 /nfs/dbraw/zinc/69/12/05/606691205.db2.gz ZLMBLESDIUUUQK-MENFKHAKSA-N -1 3 388.475 3.137 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(Br)c1 ZINC000823104491 606692499 /nfs/dbraw/zinc/69/24/99/606692499.db2.gz XVZVMADVJYWCPH-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(Br)c1 ZINC000823104491 606692500 /nfs/dbraw/zinc/69/25/00/606692500.db2.gz XVZVMADVJYWCPH-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM CN(CCOCC1CC1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821604012 606692707 /nfs/dbraw/zinc/69/27/07/606692707.db2.gz ZKUZAVJKTBURLG-UHFFFAOYSA-N -1 3 393.447 3.158 20 0 GGADHM CN(CCOCC1CC1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821604012 606692708 /nfs/dbraw/zinc/69/27/08/606692708.db2.gz ZKUZAVJKTBURLG-UHFFFAOYSA-N -1 3 393.447 3.158 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(OC)c(OC)cc1C ZINC000821123242 606697470 /nfs/dbraw/zinc/69/74/70/606697470.db2.gz NRVSXIWFBDQIGC-UHFFFAOYSA-N -1 3 396.451 3.267 20 0 GGADHM Cc1cccc(OC(F)F)c1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822328407 606703263 /nfs/dbraw/zinc/70/32/63/606703263.db2.gz PFILUVPBHWDNPV-UHFFFAOYSA-N -1 3 399.361 3.439 20 0 GGADHM Cc1cccc(OC(F)F)c1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822328407 606703264 /nfs/dbraw/zinc/70/32/64/606703264.db2.gz PFILUVPBHWDNPV-UHFFFAOYSA-N -1 3 399.361 3.439 20 0 GGADHM CCc1cc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n(C)n1 ZINC000821469280 606707121 /nfs/dbraw/zinc/70/71/21/606707121.db2.gz BDYCBBJIFWYETQ-UHFFFAOYSA-N -1 3 389.463 3.354 20 0 GGADHM CCc1cc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n(C)n1 ZINC000821469280 606707122 /nfs/dbraw/zinc/70/71/22/606707122.db2.gz BDYCBBJIFWYETQ-UHFFFAOYSA-N -1 3 389.463 3.354 20 0 GGADHM O=S(=O)(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c2ccccc21 ZINC000823577947 606708845 /nfs/dbraw/zinc/70/88/45/606708845.db2.gz DOJZDXRLBUITGR-UHFFFAOYSA-N -1 3 399.863 3.152 20 0 GGADHM O=S(=O)(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c2ccccc21 ZINC000823577947 606708846 /nfs/dbraw/zinc/70/88/46/606708846.db2.gz DOJZDXRLBUITGR-UHFFFAOYSA-N -1 3 399.863 3.152 20 0 GGADHM CSc1ccc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cc1 ZINC000821984370 606712670 /nfs/dbraw/zinc/71/26/70/606712670.db2.gz OWUHYSFTFMJREC-UHFFFAOYSA-N -1 3 381.870 3.043 20 0 GGADHM O=S(=O)(Nc1cc(-c2nn[n-]n2)ccc1Cl)c1cccc2ccccc21 ZINC000823583705 606712995 /nfs/dbraw/zinc/71/29/95/606712995.db2.gz YRGVELVAPZRGMD-UHFFFAOYSA-N -1 3 385.836 3.474 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822556482 606719174 /nfs/dbraw/zinc/71/91/74/606719174.db2.gz CFRDQADXNZATIE-FQEVSTJZSA-N -1 3 396.520 3.147 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000819928489 606723970 /nfs/dbraw/zinc/72/39/70/606723970.db2.gz RDIHBKWKGKTZJL-AWEZNQCLSA-N -1 3 394.479 3.363 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000819928489 606723972 /nfs/dbraw/zinc/72/39/72/606723972.db2.gz RDIHBKWKGKTZJL-AWEZNQCLSA-N -1 3 394.479 3.363 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(Br)s1 ZINC000822176331 606727644 /nfs/dbraw/zinc/72/76/44/606727644.db2.gz JLDZDBWEOICCEG-UHFFFAOYSA-N -1 3 382.218 3.391 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(Br)s1 ZINC000822176331 606727645 /nfs/dbraw/zinc/72/76/45/606727645.db2.gz JLDZDBWEOICCEG-UHFFFAOYSA-N -1 3 382.218 3.391 20 0 GGADHM CCO[C@H](CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351600 606733043 /nfs/dbraw/zinc/73/30/43/606733043.db2.gz SQMBBHQQURBSMM-QGZVFWFLSA-N -1 3 397.483 3.059 20 0 GGADHM CC(C)CCCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820073334 606734114 /nfs/dbraw/zinc/73/41/14/606734114.db2.gz RXATYLIRLRODJI-UHFFFAOYSA-N -1 3 392.891 3.181 20 0 GGADHM CC(C)CCCCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820073334 606734116 /nfs/dbraw/zinc/73/41/16/606734116.db2.gz RXATYLIRLRODJI-UHFFFAOYSA-N -1 3 392.891 3.181 20 0 GGADHM CC1(C)C[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000820589750 606745384 /nfs/dbraw/zinc/74/53/84/606745384.db2.gz MTEYAKROLGKLGS-MRXNPFEDSA-N -1 3 395.488 3.377 20 0 GGADHM CC1(C)C[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000820589750 606745386 /nfs/dbraw/zinc/74/53/86/606745386.db2.gz MTEYAKROLGKLGS-MRXNPFEDSA-N -1 3 395.488 3.377 20 0 GGADHM CCC1(CNC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC000820962252 606746990 /nfs/dbraw/zinc/74/69/90/606746990.db2.gz LLXPLTKRKOZUIX-UHFFFAOYSA-N -1 3 398.511 3.390 20 0 GGADHM CCCCN1CCc2ccc(NC(=O)COc3ccccc3-c3nnn[n-]3)cc21 ZINC000821064936 606747345 /nfs/dbraw/zinc/74/73/45/606747345.db2.gz CAIBPDIPWMGMOU-UHFFFAOYSA-N -1 3 392.463 3.047 20 0 GGADHM CCCCN1CCc2ccc(NC(=O)COc3ccccc3-c3nn[n-]n3)cc21 ZINC000821064936 606747347 /nfs/dbraw/zinc/74/73/47/606747347.db2.gz CAIBPDIPWMGMOU-UHFFFAOYSA-N -1 3 392.463 3.047 20 0 GGADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823139931 606748608 /nfs/dbraw/zinc/74/86/08/606748608.db2.gz NZOBQCYYTMNDGC-GOSISDBHSA-N -1 3 390.834 3.435 20 0 GGADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823139931 606748609 /nfs/dbraw/zinc/74/86/09/606748609.db2.gz NZOBQCYYTMNDGC-GOSISDBHSA-N -1 3 390.834 3.435 20 0 GGADHM CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821039663 606748841 /nfs/dbraw/zinc/74/88/41/606748841.db2.gz GBKMHBCSHYOSSI-GOSISDBHSA-N -1 3 397.504 3.318 20 0 GGADHM CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821039663 606748843 /nfs/dbraw/zinc/74/88/43/606748843.db2.gz GBKMHBCSHYOSSI-GOSISDBHSA-N -1 3 397.504 3.318 20 0 GGADHM CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821040636 606749152 /nfs/dbraw/zinc/74/91/52/606749152.db2.gz NXLIEDAIFKOQTN-INIZCTEOSA-N -1 3 383.477 3.177 20 0 GGADHM CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821040636 606749153 /nfs/dbraw/zinc/74/91/53/606749153.db2.gz NXLIEDAIFKOQTN-INIZCTEOSA-N -1 3 383.477 3.177 20 0 GGADHM O=C(NC1(C2CC2)CC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823140174 606749299 /nfs/dbraw/zinc/74/92/99/606749299.db2.gz QOKMVKLJNQOCFX-UHFFFAOYSA-N -1 3 375.432 3.118 20 0 GGADHM Cc1oc(-c2ccccc2)nc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822535082 606757285 /nfs/dbraw/zinc/75/72/85/606757285.db2.gz GFJZIYJGIYHYTG-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1oc(-c2ccccc2)nc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822535082 606757286 /nfs/dbraw/zinc/75/72/86/606757286.db2.gz GFJZIYJGIYHYTG-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ncc(C(C)(C)C)o1 ZINC000820500775 606758153 /nfs/dbraw/zinc/75/81/53/606758153.db2.gz GKNIHEOMEQNFIH-QMMMGPOBSA-N -1 3 377.351 3.348 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ncc(C(C)(C)C)o1 ZINC000820500775 606758156 /nfs/dbraw/zinc/75/81/56/606758156.db2.gz GKNIHEOMEQNFIH-QMMMGPOBSA-N -1 3 377.351 3.348 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822958890 606760487 /nfs/dbraw/zinc/76/04/87/606760487.db2.gz LVSVELUVVYLHKK-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822958890 606760489 /nfs/dbraw/zinc/76/04/89/606760489.db2.gz LVSVELUVVYLHKK-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1F ZINC000822288744 606763416 /nfs/dbraw/zinc/76/34/16/606763416.db2.gz IHMLRUYGZOSIQI-UHFFFAOYSA-N -1 3 378.310 3.273 20 0 GGADHM Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1F ZINC000822288744 606763417 /nfs/dbraw/zinc/76/34/17/606763417.db2.gz IHMLRUYGZOSIQI-UHFFFAOYSA-N -1 3 378.310 3.273 20 0 GGADHM C[C@@H](NC(=O)NC1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357913 606770237 /nfs/dbraw/zinc/77/02/37/606770237.db2.gz KFSQGFHJGLSCLU-OAHLLOKOSA-N -1 3 376.464 3.392 20 0 GGADHM C[C@@H](NC(=O)NC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357913 606770240 /nfs/dbraw/zinc/77/02/40/606770240.db2.gz KFSQGFHJGLSCLU-OAHLLOKOSA-N -1 3 376.464 3.392 20 0 GGADHM COc1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)cc1 ZINC000821732797 606781045 /nfs/dbraw/zinc/78/10/45/606781045.db2.gz URCWCKXWSGQZFP-UHFFFAOYSA-N -1 3 384.783 3.158 20 0 GGADHM COc1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)cc1 ZINC000821732797 606781046 /nfs/dbraw/zinc/78/10/46/606781046.db2.gz URCWCKXWSGQZFP-UHFFFAOYSA-N -1 3 384.783 3.158 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)N[C@H](c1ccccc1)C1CC1 ZINC000823032165 606781399 /nfs/dbraw/zinc/78/13/99/606781399.db2.gz OZOQVKZHNNMRBR-GOSISDBHSA-N -1 3 383.839 3.166 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)N[C@H](c1ccccc1)C1CC1 ZINC000823032165 606781400 /nfs/dbraw/zinc/78/14/00/606781400.db2.gz OZOQVKZHNNMRBR-GOSISDBHSA-N -1 3 383.839 3.166 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)N[C@H]1CCCc2ccccc21 ZINC000823031464 606781443 /nfs/dbraw/zinc/78/14/43/606781443.db2.gz BMJYMFHTEBCWMX-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)N[C@H]1CCCc2ccccc21 ZINC000823031464 606781446 /nfs/dbraw/zinc/78/14/46/606781446.db2.gz BMJYMFHTEBCWMX-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM C[C@@H](NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000820327947 606782328 /nfs/dbraw/zinc/78/23/28/606782328.db2.gz LJMUSRBHZKBMGZ-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM C[C@@H](NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000820327947 606782330 /nfs/dbraw/zinc/78/23/30/606782330.db2.gz LJMUSRBHZKBMGZ-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM CC[C@H]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)O1 ZINC000820973670 606785553 /nfs/dbraw/zinc/78/55/53/606785553.db2.gz ZFGKDAUPZPITRT-HKUYNNGSSA-N -1 3 393.447 3.342 20 0 GGADHM CC[C@H]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)O1 ZINC000820973670 606785555 /nfs/dbraw/zinc/78/55/55/606785555.db2.gz ZFGKDAUPZPITRT-HKUYNNGSSA-N -1 3 393.447 3.342 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)O1 ZINC000820973673 606785691 /nfs/dbraw/zinc/78/56/91/606785691.db2.gz ZFGKDAUPZPITRT-PKOBYXMFSA-N -1 3 393.447 3.342 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)O1 ZINC000820973673 606785692 /nfs/dbraw/zinc/78/56/92/606785692.db2.gz ZFGKDAUPZPITRT-PKOBYXMFSA-N -1 3 393.447 3.342 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)cc1 ZINC000822136329 606785851 /nfs/dbraw/zinc/78/58/51/606785851.db2.gz LOVDADPSPWKRNE-CABCVRRESA-N -1 3 393.447 3.217 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)cc1 ZINC000822136329 606785852 /nfs/dbraw/zinc/78/58/52/606785852.db2.gz LOVDADPSPWKRNE-CABCVRRESA-N -1 3 393.447 3.217 20 0 GGADHM Clc1cccc2c1CCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822586454 606786000 /nfs/dbraw/zinc/78/60/00/606786000.db2.gz ZEBLUBNSWWGQPL-UHFFFAOYSA-N -1 3 379.811 3.133 20 0 GGADHM Clc1cccc2c1CCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822586454 606786002 /nfs/dbraw/zinc/78/60/02/606786002.db2.gz ZEBLUBNSWWGQPL-UHFFFAOYSA-N -1 3 379.811 3.133 20 0 GGADHM O=C(CN1CCc2c1cccc2Cl)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823001560 606786889 /nfs/dbraw/zinc/78/68/89/606786889.db2.gz MQIHBNZXBGUZKX-UHFFFAOYSA-N -1 3 389.246 3.175 20 0 GGADHM O=C(CN1CCc2c1cccc2Cl)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823001560 606786891 /nfs/dbraw/zinc/78/68/91/606786891.db2.gz MQIHBNZXBGUZKX-UHFFFAOYSA-N -1 3 389.246 3.175 20 0 GGADHM Clc1ccc(-c2nnn[n-]2)c(Oc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000822574800 606789762 /nfs/dbraw/zinc/78/97/62/606789762.db2.gz ZOEPBHGODZOOOX-UHFFFAOYSA-N -1 3 390.794 3.441 20 0 GGADHM Clc1ccc(-c2nn[n-]n2)c(Oc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000822574800 606789763 /nfs/dbraw/zinc/78/97/63/606789763.db2.gz ZOEPBHGODZOOOX-UHFFFAOYSA-N -1 3 390.794 3.441 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCc2cscn2)cc1 ZINC000822144279 606789981 /nfs/dbraw/zinc/78/99/81/606789981.db2.gz LEOZPKBTBORVTK-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCc2cscn2)cc1 ZINC000822144279 606789983 /nfs/dbraw/zinc/78/99/83/606789983.db2.gz LEOZPKBTBORVTK-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM CC[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821001193 606792254 /nfs/dbraw/zinc/79/22/54/606792254.db2.gz PTDBRUVMHWHDAY-KRWDZBQOSA-N -1 3 393.447 3.218 20 0 GGADHM CC[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821001193 606792255 /nfs/dbraw/zinc/79/22/55/606792255.db2.gz PTDBRUVMHWHDAY-KRWDZBQOSA-N -1 3 393.447 3.218 20 0 GGADHM CC[C@@H](COC)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820907621 606792265 /nfs/dbraw/zinc/79/22/65/606792265.db2.gz FJGKFJZSUYIHMU-INIZCTEOSA-N -1 3 381.436 3.122 20 0 GGADHM CC[C@@H](COC)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820907621 606792267 /nfs/dbraw/zinc/79/22/67/606792267.db2.gz FJGKFJZSUYIHMU-INIZCTEOSA-N -1 3 381.436 3.122 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000822230967 606793524 /nfs/dbraw/zinc/79/35/24/606793524.db2.gz WLCMGPVIJCKPNM-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000822230967 606793526 /nfs/dbraw/zinc/79/35/26/606793526.db2.gz WLCMGPVIJCKPNM-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM O=S(=O)(Cc1ccccc1Cl)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823566236 606795723 /nfs/dbraw/zinc/79/57/23/606795723.db2.gz CGWUNRLEILZGFI-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=S(=O)(Cc1ccccc1Cl)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823566236 606795725 /nfs/dbraw/zinc/79/57/25/606795725.db2.gz CGWUNRLEILZGFI-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM COC(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821673624 606796149 /nfs/dbraw/zinc/79/61/49/606796149.db2.gz HFZVKXGWYYGVSU-UHFFFAOYSA-N -1 3 381.436 3.122 20 0 GGADHM COC(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821673624 606796151 /nfs/dbraw/zinc/79/61/51/606796151.db2.gz HFZVKXGWYYGVSU-UHFFFAOYSA-N -1 3 381.436 3.122 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1 ZINC000822135875 606796467 /nfs/dbraw/zinc/79/64/67/606796467.db2.gz GHPPMQJNJGGGGV-RHSMWYFYSA-N -1 3 393.447 3.122 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1 ZINC000822135875 606796468 /nfs/dbraw/zinc/79/64/68/606796468.db2.gz GHPPMQJNJGGGGV-RHSMWYFYSA-N -1 3 393.447 3.122 20 0 GGADHM C[C@@H](OC(=O)CCc1nc(C2CCCC2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820498176 606800025 /nfs/dbraw/zinc/80/00/25/606800025.db2.gz YYMPQQKTMUNMQE-GFCCVEGCSA-N -1 3 382.424 3.144 20 0 GGADHM C[C@@H](OC(=O)CCc1nc(C2CCCC2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820498176 606800027 /nfs/dbraw/zinc/80/00/27/606800027.db2.gz YYMPQQKTMUNMQE-GFCCVEGCSA-N -1 3 382.424 3.144 20 0 GGADHM Cc1ccc(OC(F)F)c(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822258888 606801241 /nfs/dbraw/zinc/80/12/41/606801241.db2.gz GJAYVILMQYNHFT-UHFFFAOYSA-N -1 3 387.390 3.026 20 0 GGADHM Cc1ccc(OC(F)F)c(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822258888 606801242 /nfs/dbraw/zinc/80/12/42/606801242.db2.gz GJAYVILMQYNHFT-UHFFFAOYSA-N -1 3 387.390 3.026 20 0 GGADHM Cc1ccncc1COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822379239 606801715 /nfs/dbraw/zinc/80/17/15/606801715.db2.gz MVOKVQXAYJLSAJ-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1ccncc1COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822379239 606801717 /nfs/dbraw/zinc/80/17/17/606801717.db2.gz MVOKVQXAYJLSAJ-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCOc1ccc2ccccc2c1 ZINC000823098489 606803481 /nfs/dbraw/zinc/80/34/81/606803481.db2.gz ODYFMRUGQBQFKH-UHFFFAOYSA-N -1 3 387.443 3.148 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCOc1ccc2ccccc2c1 ZINC000823098489 606803483 /nfs/dbraw/zinc/80/34/83/606803483.db2.gz ODYFMRUGQBQFKH-UHFFFAOYSA-N -1 3 387.443 3.148 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCSC1 ZINC000823350603 606803890 /nfs/dbraw/zinc/80/38/90/606803890.db2.gz UCAMGDBDTKXYLK-OAHLLOKOSA-N -1 3 381.461 3.137 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCSC1 ZINC000823350603 606803893 /nfs/dbraw/zinc/80/38/93/606803893.db2.gz UCAMGDBDTKXYLK-OAHLLOKOSA-N -1 3 381.461 3.137 20 0 GGADHM CCOC(=O)c1sc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)nc1C ZINC000821346875 606804494 /nfs/dbraw/zinc/80/44/94/606804494.db2.gz QQQFZMZBWWXNJE-VIFPVBQESA-N -1 3 376.417 3.121 20 0 GGADHM CCOC(=O)c1sc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)nc1C ZINC000821346875 606804496 /nfs/dbraw/zinc/80/44/96/606804496.db2.gz QQQFZMZBWWXNJE-VIFPVBQESA-N -1 3 376.417 3.121 20 0 GGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000820397806 606806873 /nfs/dbraw/zinc/80/68/73/606806873.db2.gz UKXHJVJJBGKZJD-AWEZNQCLSA-N -1 3 377.448 3.079 20 0 GGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000820397806 606806875 /nfs/dbraw/zinc/80/68/75/606806875.db2.gz UKXHJVJJBGKZJD-AWEZNQCLSA-N -1 3 377.448 3.079 20 0 GGADHM CN(c1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000821619124 606809806 /nfs/dbraw/zinc/80/98/06/606809806.db2.gz KKCJIADGDVXWBM-UHFFFAOYSA-N -1 3 392.463 3.263 20 0 GGADHM CN(c1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000821619124 606809807 /nfs/dbraw/zinc/80/98/07/606809807.db2.gz KKCJIADGDVXWBM-UHFFFAOYSA-N -1 3 392.463 3.263 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823175273 606809934 /nfs/dbraw/zinc/80/99/34/606809934.db2.gz DPYRGXMBMIPTGS-QGZVFWFLSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823175273 606809936 /nfs/dbraw/zinc/80/99/36/606809936.db2.gz DPYRGXMBMIPTGS-QGZVFWFLSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823176403 606810078 /nfs/dbraw/zinc/81/00/78/606810078.db2.gz TVTWAHRPNCBEIY-SFHVURJKSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823175685 606811975 /nfs/dbraw/zinc/81/19/75/606811975.db2.gz MGYBGIRAHGTEFY-KRWDZBQOSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823175685 606811977 /nfs/dbraw/zinc/81/19/77/606811977.db2.gz MGYBGIRAHGTEFY-KRWDZBQOSA-N -1 3 395.488 3.071 20 0 GGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820875779 606812006 /nfs/dbraw/zinc/81/20/06/606812006.db2.gz FTHUNWJTKUUEOD-HNNXBMFYSA-N -1 3 379.464 3.211 20 0 GGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820875779 606812008 /nfs/dbraw/zinc/81/20/08/606812008.db2.gz FTHUNWJTKUUEOD-HNNXBMFYSA-N -1 3 379.464 3.211 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@H]1CCSC1 ZINC000823383195 606812028 /nfs/dbraw/zinc/81/20/28/606812028.db2.gz NHRABPYWYHOHGL-NSHDSACASA-N -1 3 383.502 3.385 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@H]1CCSC1 ZINC000823383195 606812030 /nfs/dbraw/zinc/81/20/30/606812030.db2.gz NHRABPYWYHOHGL-NSHDSACASA-N -1 3 383.502 3.385 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823078677 606814913 /nfs/dbraw/zinc/81/49/13/606814913.db2.gz RLFTZNSDHSUUFT-KRWDZBQOSA-N -1 3 388.431 3.304 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823078677 606814915 /nfs/dbraw/zinc/81/49/15/606814915.db2.gz RLFTZNSDHSUUFT-KRWDZBQOSA-N -1 3 388.431 3.304 20 0 GGADHM CC(C)(C)[C@H](CO)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819898287 606817810 /nfs/dbraw/zinc/81/78/10/606817810.db2.gz DSZTXMWXQQYUTR-KRWDZBQOSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)(C)[C@H](CO)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819898287 606817811 /nfs/dbraw/zinc/81/78/11/606817811.db2.gz DSZTXMWXQQYUTR-KRWDZBQOSA-N -1 3 396.451 3.188 20 0 GGADHM CN(c1nc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1)C1CC1 ZINC000821619158 606820469 /nfs/dbraw/zinc/82/04/69/606820469.db2.gz LJRJIOJPENMBCX-UHFFFAOYSA-N -1 3 399.549 3.488 20 0 GGADHM CN(c1nc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1)C1CC1 ZINC000821619158 606820470 /nfs/dbraw/zinc/82/04/70/606820470.db2.gz LJRJIOJPENMBCX-UHFFFAOYSA-N -1 3 399.549 3.488 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000821431111 606824848 /nfs/dbraw/zinc/82/48/48/606824848.db2.gz MNHPEEQGQFHTAB-KRWDZBQOSA-N -1 3 395.463 3.220 20 0 GGADHM CN(CC1CC1)C(=O)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821596735 606828321 /nfs/dbraw/zinc/82/83/21/606828321.db2.gz TTYNBUPKCBGQOF-UHFFFAOYSA-N -1 3 396.426 3.078 20 0 GGADHM CN(CC1CC1)C(=O)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821596735 606828322 /nfs/dbraw/zinc/82/83/22/606828322.db2.gz TTYNBUPKCBGQOF-UHFFFAOYSA-N -1 3 396.426 3.078 20 0 GGADHM CC(=O)CCCCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819782965 606829667 /nfs/dbraw/zinc/82/96/67/606829667.db2.gz RNSMYCIQFIBLAK-UHFFFAOYSA-N -1 3 394.431 3.362 20 0 GGADHM CC(=O)CCCCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819782965 606829669 /nfs/dbraw/zinc/82/96/69/606829669.db2.gz RNSMYCIQFIBLAK-UHFFFAOYSA-N -1 3 394.431 3.362 20 0 GGADHM CC(C)(CCO)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819981558 606832661 /nfs/dbraw/zinc/83/26/61/606832661.db2.gz YRMSQUOKRAOQAR-UHFFFAOYSA-N -1 3 397.504 3.156 20 0 GGADHM CC(C)(CCO)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000819981558 606832662 /nfs/dbraw/zinc/83/26/62/606832662.db2.gz YRMSQUOKRAOQAR-UHFFFAOYSA-N -1 3 397.504 3.156 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cnn1C ZINC000822104823 606833633 /nfs/dbraw/zinc/83/36/33/606833633.db2.gz QVPGKJFBQWDTDE-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cnn1C ZINC000822104823 606833634 /nfs/dbraw/zinc/83/36/34/606833634.db2.gz QVPGKJFBQWDTDE-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1c(NC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cnn1C ZINC000822105942 606835288 /nfs/dbraw/zinc/83/52/88/606835288.db2.gz YNEAZFIJNMVICL-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1c(NC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cnn1C ZINC000822105942 606835289 /nfs/dbraw/zinc/83/52/89/606835289.db2.gz YNEAZFIJNMVICL-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1nc(C)c(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000822431801 606836020 /nfs/dbraw/zinc/83/60/20/606836020.db2.gz KHTMMPRKUBUZFL-UHFFFAOYSA-N -1 3 399.480 3.015 20 0 GGADHM Cc1nc(C)c(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000822431801 606836021 /nfs/dbraw/zinc/83/60/21/606836021.db2.gz KHTMMPRKUBUZFL-UHFFFAOYSA-N -1 3 399.480 3.015 20 0 GGADHM CC(C)C(=O)Nc1cccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820011407 606838542 /nfs/dbraw/zinc/83/85/42/606838542.db2.gz LUOUFGFAUYBTOA-UHFFFAOYSA-N -1 3 381.436 3.309 20 0 GGADHM CC(C)C(=O)Nc1cccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820011407 606838544 /nfs/dbraw/zinc/83/85/44/606838544.db2.gz LUOUFGFAUYBTOA-UHFFFAOYSA-N -1 3 381.436 3.309 20 0 GGADHM CCO[C@H](C)c1noc(CSCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821352180 606840626 /nfs/dbraw/zinc/84/06/26/606840626.db2.gz YXOBGAGMIWURPJ-GFCCVEGCSA-N -1 3 390.469 3.050 20 0 GGADHM CCO[C@H](C)c1noc(CSCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821352180 606840627 /nfs/dbraw/zinc/84/06/27/606840627.db2.gz YXOBGAGMIWURPJ-GFCCVEGCSA-N -1 3 390.469 3.050 20 0 GGADHM O=C1[C@@H](SCCCOc2cccc(-c3nnn[n-]3)c2)CCN1c1ccccc1 ZINC000823514471 606841800 /nfs/dbraw/zinc/84/18/00/606841800.db2.gz ZTNCFVZRJJVEPI-SFHVURJKSA-N -1 3 395.488 3.174 20 0 GGADHM O=C1[C@@H](SCCCOc2cccc(-c3nn[n-]n3)c2)CCN1c1ccccc1 ZINC000823514471 606841801 /nfs/dbraw/zinc/84/18/01/606841801.db2.gz ZTNCFVZRJJVEPI-SFHVURJKSA-N -1 3 395.488 3.174 20 0 GGADHM COC(=O)c1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000821669282 606848501 /nfs/dbraw/zinc/84/85/01/606848501.db2.gz DUXDYGRVPBSUDK-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM COC(=O)c1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000821669282 606848502 /nfs/dbraw/zinc/84/85/02/606848502.db2.gz DUXDYGRVPBSUDK-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM CC(=O)c1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819844626 606849139 /nfs/dbraw/zinc/84/91/39/606849139.db2.gz JSHOODJAOXNVDO-UHFFFAOYSA-N -1 3 387.852 3.454 20 0 GGADHM CC(=O)c1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819844626 606849141 /nfs/dbraw/zinc/84/91/41/606849141.db2.gz JSHOODJAOXNVDO-UHFFFAOYSA-N -1 3 387.852 3.454 20 0 GGADHM COc1ccccc1N1CC[C@@H](S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821898997 606849743 /nfs/dbraw/zinc/84/97/43/606849743.db2.gz VOKFOHZRDAFANU-SCLBCKFNSA-N -1 3 395.488 3.475 20 0 GGADHM COc1ccccc1N1CC[C@@H](S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821898997 606849744 /nfs/dbraw/zinc/84/97/44/606849744.db2.gz VOKFOHZRDAFANU-SCLBCKFNSA-N -1 3 395.488 3.475 20 0 GGADHM COC(=O)c1ccc(CSCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000821669298 606849923 /nfs/dbraw/zinc/84/99/23/606849923.db2.gz FKEXXZUOFFMBTC-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM COC(=O)c1ccc(CSCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000821669298 606849924 /nfs/dbraw/zinc/84/99/24/606849924.db2.gz FKEXXZUOFFMBTC-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM Cc1cccn2c(=O)cc(CSc3ccc(-c4nnn[n-]4)cc3Cl)nc12 ZINC000822366660 606851651 /nfs/dbraw/zinc/85/16/51/606851651.db2.gz RMIJLFQRJTXVRE-UHFFFAOYSA-N -1 3 384.852 3.129 20 0 GGADHM Cc1cccn2c(=O)cc(CSc3ccc(-c4nn[n-]n4)cc3Cl)nc12 ZINC000822366660 606851652 /nfs/dbraw/zinc/85/16/52/606851652.db2.gz RMIJLFQRJTXVRE-UHFFFAOYSA-N -1 3 384.852 3.129 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820359389 606864407 /nfs/dbraw/zinc/86/44/07/606864407.db2.gz SRJBHTHXFAWCMU-MEBBXXQBSA-N -1 3 384.827 3.014 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820359389 606864409 /nfs/dbraw/zinc/86/44/09/606864409.db2.gz SRJBHTHXFAWCMU-MEBBXXQBSA-N -1 3 384.827 3.014 20 0 GGADHM Cc1ccc(Br)c(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822225065 606865396 /nfs/dbraw/zinc/86/53/96/606865396.db2.gz MRQRRBNHEPMEOC-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM Cc1ccc(Br)c(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822225065 606865398 /nfs/dbraw/zinc/86/53/98/606865398.db2.gz MRQRRBNHEPMEOC-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000669630451 606867460 /nfs/dbraw/zinc/86/74/60/606867460.db2.gz UPOIIJXQXXJKHV-UHFFFAOYSA-N -1 3 389.868 3.007 20 0 GGADHM CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000669630451 606867462 /nfs/dbraw/zinc/86/74/62/606867462.db2.gz UPOIIJXQXXJKHV-UHFFFAOYSA-N -1 3 389.868 3.007 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000820530136 606870719 /nfs/dbraw/zinc/87/07/19/606870719.db2.gz XDFSDUFYSZLYJL-MRXNPFEDSA-N -1 3 391.475 3.163 20 0 GGADHM CCN(C(=O)c1ccn(C2CCCC2)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160837 606871407 /nfs/dbraw/zinc/87/14/07/606871407.db2.gz RBXLTKCAEWIJSK-AWEZNQCLSA-N -1 3 379.468 3.402 20 0 GGADHM CCN(C(=O)c1ccn(C2CCCC2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160837 606871409 /nfs/dbraw/zinc/87/14/09/606871409.db2.gz RBXLTKCAEWIJSK-AWEZNQCLSA-N -1 3 379.468 3.402 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)ccc1Br ZINC000821765768 606872384 /nfs/dbraw/zinc/87/23/84/606872384.db2.gz JZVNVLYTAOAYRP-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)ccc1Br ZINC000821765768 606872386 /nfs/dbraw/zinc/87/23/86/606872386.db2.gz JZVNVLYTAOAYRP-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1cc(C)ccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821708732 606873315 /nfs/dbraw/zinc/87/33/15/606873315.db2.gz XZVCWMBMCUYDNR-UHFFFAOYSA-N -1 3 396.451 3.293 20 0 GGADHM COc1cc(C)ccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821708732 606873317 /nfs/dbraw/zinc/87/33/17/606873317.db2.gz XZVCWMBMCUYDNR-UHFFFAOYSA-N -1 3 396.451 3.293 20 0 GGADHM Clc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000822568699 606875952 /nfs/dbraw/zinc/87/59/52/606875952.db2.gz WQNCOXYIWNIWBT-NSHDSACASA-N -1 3 376.251 3.259 20 0 GGADHM Clc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000822568699 606875953 /nfs/dbraw/zinc/87/59/53/606875953.db2.gz WQNCOXYIWNIWBT-NSHDSACASA-N -1 3 376.251 3.259 20 0 GGADHM Clc1cccnc1N1CC[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000822591445 606876105 /nfs/dbraw/zinc/87/61/05/606876105.db2.gz SILBEUAVKQJAMF-LBPRGKRZSA-N -1 3 392.854 3.154 20 0 GGADHM Clc1cccnc1N1CC[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000822591445 606876107 /nfs/dbraw/zinc/87/61/07/606876107.db2.gz SILBEUAVKQJAMF-LBPRGKRZSA-N -1 3 392.854 3.154 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCOC3(C2)CCCCCC3)n1 ZINC000822724086 606878468 /nfs/dbraw/zinc/87/84/68/606878468.db2.gz YQTJCQFGYJAQMR-UHFFFAOYSA-N -1 3 382.390 3.210 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCOC3(C2)CCCCCC3)n1 ZINC000822724086 606878469 /nfs/dbraw/zinc/87/84/69/606878469.db2.gz YQTJCQFGYJAQMR-UHFFFAOYSA-N -1 3 382.390 3.210 20 0 GGADHM COc1cc(OC)cc(OCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821727689 606880953 /nfs/dbraw/zinc/88/09/53/606880953.db2.gz MLNFRHDLTMZLNS-UHFFFAOYSA-N -1 3 375.816 3.028 20 0 GGADHM COc1cc(OC)cc(OCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821727689 606880954 /nfs/dbraw/zinc/88/09/54/606880954.db2.gz MLNFRHDLTMZLNS-UHFFFAOYSA-N -1 3 375.816 3.028 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cncc(-c2ccccc2)c1 ZINC000823422122 606900087 /nfs/dbraw/zinc/90/00/87/606900087.db2.gz OFNHJLKEYQRGML-UHFFFAOYSA-N -1 3 375.363 3.425 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cncc(-c2ccccc2)c1 ZINC000823422122 606900088 /nfs/dbraw/zinc/90/00/88/606900088.db2.gz OFNHJLKEYQRGML-UHFFFAOYSA-N -1 3 375.363 3.425 20 0 GGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1nc(C2CC2)no1 ZINC000820512656 606900890 /nfs/dbraw/zinc/90/08/90/606900890.db2.gz MPHKOXGSGFBPNZ-SSDOTTSWSA-N -1 3 394.313 3.064 20 0 GGADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1nc(C2CC2)no1 ZINC000820512656 606900892 /nfs/dbraw/zinc/90/08/92/606900892.db2.gz MPHKOXGSGFBPNZ-SSDOTTSWSA-N -1 3 394.313 3.064 20 0 GGADHM O=C(OCc1noc2c1CCCC2)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823445140 606902203 /nfs/dbraw/zinc/90/22/03/606902203.db2.gz UERNOSFHADQWBU-UHFFFAOYSA-N -1 3 393.325 3.109 20 0 GGADHM O=C(OCc1noc2c1CCCC2)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823445140 606902205 /nfs/dbraw/zinc/90/22/05/606902205.db2.gz UERNOSFHADQWBU-UHFFFAOYSA-N -1 3 393.325 3.109 20 0 GGADHM O=C(OCCCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823401411 606902255 /nfs/dbraw/zinc/90/22/55/606902255.db2.gz VNKUOQUSNQQSBU-UHFFFAOYSA-N -1 3 398.263 3.011 20 0 GGADHM O=C(OCCCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823401411 606902257 /nfs/dbraw/zinc/90/22/57/606902257.db2.gz VNKUOQUSNQQSBU-UHFFFAOYSA-N -1 3 398.263 3.011 20 0 GGADHM C[C@@H]1CN(CCCOc2cccc(-c3nn[n-]n3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000820759193 606902684 /nfs/dbraw/zinc/90/26/84/606902684.db2.gz ITATWCJRZDJWHG-FOIQADDNSA-N -1 3 397.454 3.237 20 0 GGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821449321 606906028 /nfs/dbraw/zinc/90/60/28/606906028.db2.gz SAYDSYOIKXOWGN-OLZOCXBDSA-N -1 3 376.486 3.013 20 0 GGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821449321 606906029 /nfs/dbraw/zinc/90/60/29/606906029.db2.gz SAYDSYOIKXOWGN-OLZOCXBDSA-N -1 3 376.486 3.013 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)O1 ZINC000820677161 606915232 /nfs/dbraw/zinc/91/52/32/606915232.db2.gz PRVXTSVVJTUESL-PIGZYNQJSA-N -1 3 383.383 3.304 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)O1 ZINC000820677161 606915234 /nfs/dbraw/zinc/91/52/34/606915234.db2.gz PRVXTSVVJTUESL-PIGZYNQJSA-N -1 3 383.383 3.304 20 0 GGADHM COc1ccccc1OCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821903133 606916564 /nfs/dbraw/zinc/91/65/64/606916564.db2.gz BPCMVBORGPJBFZ-UHFFFAOYSA-N -1 3 379.342 3.385 20 0 GGADHM COc1ccccc1OCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821903133 606916566 /nfs/dbraw/zinc/91/65/66/606916566.db2.gz BPCMVBORGPJBFZ-UHFFFAOYSA-N -1 3 379.342 3.385 20 0 GGADHM CCc1nnc(Sc2nnc(-c3ccccc3C)o2)c(-c2nnn[n-]2)c1CC ZINC000821547701 606917837 /nfs/dbraw/zinc/91/78/37/606917837.db2.gz AHUVKSRHJXJNQN-UHFFFAOYSA-N -1 3 394.464 3.291 20 0 GGADHM Cc1nc(C2(NCCCOc3cccc(-c4nn[n-]n4)c3)CCCCCC2)no1 ZINC000822432167 606921168 /nfs/dbraw/zinc/92/11/68/606921168.db2.gz ZPZSPOUSYICUKT-UHFFFAOYSA-N -1 3 397.483 3.166 20 0 GGADHM CCc1nnc(NCc2csc(Br)c2)c(-c2nnn[n-]2)c1CC ZINC000821542128 606921624 /nfs/dbraw/zinc/92/16/24/606921624.db2.gz JVOZQDYUNDPSCE-UHFFFAOYSA-N -1 3 394.302 3.218 20 0 GGADHM CCc1nnc(NCc2csc(Br)c2)c(-c2nn[n-]n2)c1CC ZINC000821542128 606921625 /nfs/dbraw/zinc/92/16/25/606921625.db2.gz JVOZQDYUNDPSCE-UHFFFAOYSA-N -1 3 394.302 3.218 20 0 GGADHM FC(F)(F)CN1CC[C@H](CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000822719030 606923529 /nfs/dbraw/zinc/92/35/29/606923529.db2.gz XYXWJNGTJZBZDA-SECBINFHSA-N -1 3 394.323 3.182 20 0 GGADHM FC(F)(F)CN1CC[C@H](CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000822719030 606923530 /nfs/dbraw/zinc/92/35/30/606923530.db2.gz XYXWJNGTJZBZDA-SECBINFHSA-N -1 3 394.323 3.182 20 0 GGADHM C[C@@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820327099 606923709 /nfs/dbraw/zinc/92/37/09/606923709.db2.gz FCCAQFYPTUPUNM-CQSZACIVSA-N -1 3 394.479 3.249 20 0 GGADHM C[C@@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820327099 606923710 /nfs/dbraw/zinc/92/37/10/606923710.db2.gz FCCAQFYPTUPUNM-CQSZACIVSA-N -1 3 394.479 3.249 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2NCc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000820759974 606926774 /nfs/dbraw/zinc/92/67/74/606926774.db2.gz OSYZLRAIDQUEHI-GASCZTMLSA-N -1 3 396.470 3.227 20 0 GGADHM CCc1nnc(NC[C@H](O)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1CC ZINC000821535383 606933896 /nfs/dbraw/zinc/93/38/96/606933896.db2.gz IQQARLQLJHNPLI-SFHVURJKSA-N -1 3 389.463 3.080 20 0 GGADHM CCc1nnc(NC[C@H](O)c2ccc3ccccc3c2)c(-c2nn[n-]n2)c1CC ZINC000821535383 606933898 /nfs/dbraw/zinc/93/38/98/606933898.db2.gz IQQARLQLJHNPLI-SFHVURJKSA-N -1 3 389.463 3.080 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821470736 606936686 /nfs/dbraw/zinc/93/66/86/606936686.db2.gz SQCVPGJPOWHMDO-UHFFFAOYSA-N -1 3 386.253 3.373 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821470736 606936688 /nfs/dbraw/zinc/93/66/88/606936688.db2.gz SQCVPGJPOWHMDO-UHFFFAOYSA-N -1 3 386.253 3.373 20 0 GGADHM CCc1nnc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821521037 606937147 /nfs/dbraw/zinc/93/71/47/606937147.db2.gz DGHWQMBECMVIDN-OCCSQVGLSA-N -1 3 381.459 3.303 20 0 GGADHM CCc1nnc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821521037 606937148 /nfs/dbraw/zinc/93/71/48/606937148.db2.gz DGHWQMBECMVIDN-OCCSQVGLSA-N -1 3 381.459 3.303 20 0 GGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822471813 606937804 /nfs/dbraw/zinc/93/78/04/606937804.db2.gz KMUNTZNCWDAPEC-AWEZNQCLSA-N -1 3 375.358 3.473 20 0 GGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822471813 606937806 /nfs/dbraw/zinc/93/78/06/606937806.db2.gz KMUNTZNCWDAPEC-AWEZNQCLSA-N -1 3 375.358 3.473 20 0 GGADHM CCc1nnc(N2CCC(Nc3cccc(C)c3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821523600 606938611 /nfs/dbraw/zinc/93/86/11/606938611.db2.gz YPFAFGJAMCFPEB-UHFFFAOYSA-N -1 3 392.511 3.171 20 0 GGADHM CCc1nnc(N2CCC(Nc3cccc(C)c3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821523600 606938613 /nfs/dbraw/zinc/93/86/13/606938613.db2.gz YPFAFGJAMCFPEB-UHFFFAOYSA-N -1 3 392.511 3.171 20 0 GGADHM Cc1coc(-c2cc(NC(=O)COc3ccccc3-c3nnn[n-]3)ccc2C)n1 ZINC000822403740 606938643 /nfs/dbraw/zinc/93/86/43/606938643.db2.gz SPLFHCBPFZVWPP-UHFFFAOYSA-N -1 3 390.403 3.156 20 0 GGADHM Cc1coc(-c2cc(NC(=O)COc3ccccc3-c3nn[n-]n3)ccc2C)n1 ZINC000822403740 606938645 /nfs/dbraw/zinc/93/86/45/606938645.db2.gz SPLFHCBPFZVWPP-UHFFFAOYSA-N -1 3 390.403 3.156 20 0 GGADHM FC(F)(F)c1ccc(NCCCOCC2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000822728714 606939147 /nfs/dbraw/zinc/93/91/47/606939147.db2.gz KJQVJBRBZCSKPS-UHFFFAOYSA-N -1 3 385.390 3.131 20 0 GGADHM FC(F)(F)c1ccc(NCCCOCC2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000822728714 606939148 /nfs/dbraw/zinc/93/91/48/606939148.db2.gz KJQVJBRBZCSKPS-UHFFFAOYSA-N -1 3 385.390 3.131 20 0 GGADHM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821612184 606941978 /nfs/dbraw/zinc/94/19/78/606941978.db2.gz MDVNMBPBRDRMJH-MHZLTWQESA-N -1 3 395.410 3.259 20 0 GGADHM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821612184 606941979 /nfs/dbraw/zinc/94/19/79/606941979.db2.gz MDVNMBPBRDRMJH-MHZLTWQESA-N -1 3 395.410 3.259 20 0 GGADHM CN(C(=O)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000821570956 606942167 /nfs/dbraw/zinc/94/21/67/606942167.db2.gz SMWWAXSAQYQALL-UHFFFAOYSA-N -1 3 382.390 3.089 20 0 GGADHM CN(C(=O)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000821570956 606942169 /nfs/dbraw/zinc/94/21/69/606942169.db2.gz SMWWAXSAQYQALL-UHFFFAOYSA-N -1 3 382.390 3.089 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822224789 606942392 /nfs/dbraw/zinc/94/23/92/606942392.db2.gz AAVHPPLVFUSHEE-UHFFFAOYSA-N -1 3 394.431 3.150 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822224789 606942394 /nfs/dbraw/zinc/94/23/94/606942394.db2.gz AAVHPPLVFUSHEE-UHFFFAOYSA-N -1 3 394.431 3.150 20 0 GGADHM CCc1nnc(NCc2ccc(F)cc2CSC)c(-c2nnn[n-]2)c1CC ZINC000821542684 606943564 /nfs/dbraw/zinc/94/35/64/606943564.db2.gz XGNWMUBNUDPGTC-UHFFFAOYSA-N -1 3 387.488 3.396 20 0 GGADHM CCc1nnc(NCc2ccc(F)cc2CSC)c(-c2nn[n-]n2)c1CC ZINC000821542684 606943566 /nfs/dbraw/zinc/94/35/66/606943566.db2.gz XGNWMUBNUDPGTC-UHFFFAOYSA-N -1 3 387.488 3.396 20 0 GGADHM FC(F)(F)c1cc([C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)[nH]n1 ZINC000822723453 606947463 /nfs/dbraw/zinc/94/74/63/606947463.db2.gz FNLBMBMFDDOIFK-QMMMGPOBSA-N -1 3 398.780 3.041 20 0 GGADHM FC(F)(F)c1cc([C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)[nH]n1 ZINC000822723453 606947464 /nfs/dbraw/zinc/94/74/64/606947464.db2.gz FNLBMBMFDDOIFK-QMMMGPOBSA-N -1 3 398.780 3.041 20 0 GGADHM CC[C@H](Nc1ccccc1)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820925774 606949629 /nfs/dbraw/zinc/94/96/29/606949629.db2.gz LVDLCUJYIKNGHQ-SFHVURJKSA-N -1 3 381.436 3.070 20 0 GGADHM CC[C@H](Nc1ccccc1)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820925774 606949631 /nfs/dbraw/zinc/94/96/31/606949631.db2.gz LVDLCUJYIKNGHQ-SFHVURJKSA-N -1 3 381.436 3.070 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N1CCC2(CCC2)C1 ZINC000823383505 606951450 /nfs/dbraw/zinc/95/14/50/606951450.db2.gz STCMOAAECCXQQH-UHFFFAOYSA-N -1 3 395.492 3.322 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N1CCC2(CCC2)C1 ZINC000823383505 606951451 /nfs/dbraw/zinc/95/14/51/606951451.db2.gz STCMOAAECCXQQH-UHFFFAOYSA-N -1 3 395.492 3.322 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102671 606957073 /nfs/dbraw/zinc/95/70/73/606957073.db2.gz GHRYDBYIYFELOV-OAHLLOKOSA-N -1 3 395.463 3.158 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccncc2Br)c1-c1nnn[n-]1 ZINC000821465479 606957261 /nfs/dbraw/zinc/95/72/61/606957261.db2.gz ITKBEDJIARNSTR-UHFFFAOYSA-N -1 3 393.270 3.209 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccncc2Br)c1-c1nn[n-]n1 ZINC000821465479 606957262 /nfs/dbraw/zinc/95/72/62/606957262.db2.gz ITKBEDJIARNSTR-UHFFFAOYSA-N -1 3 393.270 3.209 20 0 GGADHM CC[C@@]1(C)CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949495 606957309 /nfs/dbraw/zinc/95/73/09/606957309.db2.gz BFIXRRPXFMCTOB-FQEVSTJZSA-N -1 3 381.436 3.301 20 0 GGADHM CC[C@@]1(C)CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949495 606957311 /nfs/dbraw/zinc/95/73/11/606957311.db2.gz BFIXRRPXFMCTOB-FQEVSTJZSA-N -1 3 381.436 3.301 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1CCC2(CCC2)C1 ZINC000823498440 606959027 /nfs/dbraw/zinc/95/90/27/606959027.db2.gz PURVXVOEINXTER-UHFFFAOYSA-N -1 3 379.420 3.055 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CCC2(CCC2)C1 ZINC000823498440 606959029 /nfs/dbraw/zinc/95/90/29/606959029.db2.gz PURVXVOEINXTER-UHFFFAOYSA-N -1 3 379.420 3.055 20 0 GGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1OC ZINC000821786636 606959857 /nfs/dbraw/zinc/95/98/57/606959857.db2.gz HEUHAVOHLQCUEQ-UITAMQMPSA-N -1 3 399.838 3.214 20 0 GGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1OC ZINC000821786636 606959858 /nfs/dbraw/zinc/95/98/58/606959858.db2.gz HEUHAVOHLQCUEQ-UITAMQMPSA-N -1 3 399.838 3.214 20 0 GGADHM COc1ccc(C(=O)C2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821769151 606961781 /nfs/dbraw/zinc/96/17/81/606961781.db2.gz DPPIZFSOTBXLGD-UHFFFAOYSA-N -1 3 395.438 3.109 20 0 GGADHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc2c1O[C@H](C)C2 ZINC000821703130 606963687 /nfs/dbraw/zinc/96/36/87/606963687.db2.gz PWIJDQMHUMWCSF-SNVBAGLBSA-N -1 3 399.838 3.129 20 0 GGADHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc2c1O[C@H](C)C2 ZINC000821703130 606963688 /nfs/dbraw/zinc/96/36/88/606963688.db2.gz PWIJDQMHUMWCSF-SNVBAGLBSA-N -1 3 399.838 3.129 20 0 GGADHM Cc1ccc(C(=O)C2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822225338 606964725 /nfs/dbraw/zinc/96/47/25/606964725.db2.gz ZEPZXFBVJBMPFN-UHFFFAOYSA-N -1 3 379.439 3.409 20 0 GGADHM CN(C(=O)CCOc1ccc(F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569684 606964837 /nfs/dbraw/zinc/96/48/37/606964837.db2.gz RVVQNALWZFRCFC-UHFFFAOYSA-N -1 3 375.791 3.091 20 0 GGADHM CN(C(=O)CCOc1ccc(F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569684 606964838 /nfs/dbraw/zinc/96/48/38/606964838.db2.gz RVVQNALWZFRCFC-UHFFFAOYSA-N -1 3 375.791 3.091 20 0 GGADHM CN(Cc1csc(Br)c1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821616681 606966565 /nfs/dbraw/zinc/96/65/65/606966565.db2.gz BQFUYCJHMHPMOI-UHFFFAOYSA-N -1 3 382.262 3.462 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000821508749 606968150 /nfs/dbraw/zinc/96/81/50/606968150.db2.gz ADEBYHPPGMDZRT-OAHLLOKOSA-N -1 3 397.508 3.105 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000821508749 606968152 /nfs/dbraw/zinc/96/81/52/606968152.db2.gz ADEBYHPPGMDZRT-OAHLLOKOSA-N -1 3 397.508 3.105 20 0 GGADHM Fc1ccc(CN2CCc3c(Br)cccc3C2)cc1-c1nnn[n-]1 ZINC000822771114 606968856 /nfs/dbraw/zinc/96/88/56/606968856.db2.gz BTTICAXAUAXZFI-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1ccc(CN2CCc3c(Br)cccc3C2)cc1-c1nn[n-]n1 ZINC000822771114 606968857 /nfs/dbraw/zinc/96/88/57/606968857.db2.gz BTTICAXAUAXZFI-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM CN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1-c1nnn[n-]1 ZINC000821570577 606969321 /nfs/dbraw/zinc/96/93/21/606969321.db2.gz BDGKLVFFAUTZMY-UHFFFAOYSA-N -1 3 392.394 3.256 20 0 GGADHM CN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1-c1nn[n-]n1 ZINC000821570577 606969323 /nfs/dbraw/zinc/96/93/23/606969323.db2.gz BDGKLVFFAUTZMY-UHFFFAOYSA-N -1 3 392.394 3.256 20 0 GGADHM Cc1ccc(-c2cnc(CCC(=O)N(C)c3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000822214278 606974145 /nfs/dbraw/zinc/97/41/45/606974145.db2.gz XNPLQDINDBTEPJ-UHFFFAOYSA-N -1 3 388.431 3.426 20 0 GGADHM Cc1ccc(-c2cnc(CCC(=O)N(C)c3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000822214278 606974148 /nfs/dbraw/zinc/97/41/48/606974148.db2.gz XNPLQDINDBTEPJ-UHFFFAOYSA-N -1 3 388.431 3.426 20 0 GGADHM CCC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000821020926 606982091 /nfs/dbraw/zinc/98/20/91/606982091.db2.gz JPNADDPXVNBGAB-QGZVFWFLSA-N -1 3 387.390 3.181 20 0 GGADHM CCC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821020926 606982092 /nfs/dbraw/zinc/98/20/92/606982092.db2.gz JPNADDPXVNBGAB-QGZVFWFLSA-N -1 3 387.390 3.181 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccnc1SC(F)F ZINC000823427044 606991513 /nfs/dbraw/zinc/99/15/13/606991513.db2.gz SMVQZNUWKVZFFB-UHFFFAOYSA-N -1 3 381.339 3.073 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccnc1SC(F)F ZINC000823427044 606991514 /nfs/dbraw/zinc/99/15/14/606991514.db2.gz SMVQZNUWKVZFFB-UHFFFAOYSA-N -1 3 381.339 3.073 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822554377 606993815 /nfs/dbraw/zinc/99/38/15/606993815.db2.gz ZJZCAWWYGVSDQV-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822554377 606993816 /nfs/dbraw/zinc/99/38/16/606993816.db2.gz ZJZCAWWYGVSDQV-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000823421521 606995990 /nfs/dbraw/zinc/99/59/90/606995990.db2.gz BCWDEFKCEXCMCT-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000823421521 606995991 /nfs/dbraw/zinc/99/59/91/606995991.db2.gz BCWDEFKCEXCMCT-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM CC(C)(C)Oc1cccc(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000819951269 607004726 /nfs/dbraw/zinc/00/47/26/607004726.db2.gz QSQSGJMCMCIXRU-UHFFFAOYSA-N -1 3 399.426 3.254 20 0 GGADHM CC(C)(C)Oc1cccc(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000819951269 607004729 /nfs/dbraw/zinc/00/47/29/607004729.db2.gz QSQSGJMCMCIXRU-UHFFFAOYSA-N -1 3 399.426 3.254 20 0 GGADHM O=c1c2c3c(sc2ncn1Cc1ccc(F)c(-c2nnn[n-]2)c1)CCCCC3 ZINC000823665585 607006000 /nfs/dbraw/zinc/00/60/00/607006000.db2.gz QVTOEHHWGBBYJD-UHFFFAOYSA-N -1 3 396.451 3.094 20 0 GGADHM O=c1c2c3c(sc2ncn1Cc1ccc(F)c(-c2nn[n-]n2)c1)CCCCC3 ZINC000823665585 607006002 /nfs/dbraw/zinc/00/60/02/607006002.db2.gz QVTOEHHWGBBYJD-UHFFFAOYSA-N -1 3 396.451 3.094 20 0 GGADHM Cn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccccc1F ZINC000822604815 607007533 /nfs/dbraw/zinc/00/75/33/607007533.db2.gz LPGSYPCQCORDGD-UHFFFAOYSA-N -1 3 385.403 3.233 20 0 GGADHM Cn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccccc1F ZINC000822604815 607007535 /nfs/dbraw/zinc/00/75/35/607007535.db2.gz LPGSYPCQCORDGD-UHFFFAOYSA-N -1 3 385.403 3.233 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)Nc3sc(C)c(C)c3-c3nnn[n-]3)cc2)o1 ZINC000822505275 607007597 /nfs/dbraw/zinc/00/75/97/607007597.db2.gz GHITVLIEWFJJLV-UHFFFAOYSA-N -1 3 381.421 3.156 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)Nc3sc(C)c(C)c3-c3nn[n-]n3)cc2)o1 ZINC000822505275 607007599 /nfs/dbraw/zinc/00/75/99/607007599.db2.gz GHITVLIEWFJJLV-UHFFFAOYSA-N -1 3 381.421 3.156 20 0 GGADHM COc1ccc(CN[C@@H](Cc2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821803162 607007667 /nfs/dbraw/zinc/00/76/67/607007667.db2.gz CSJCIBQGFZVUOP-INIZCTEOSA-N -1 3 377.370 3.139 20 0 GGADHM COc1ccc(CN[C@@H](Cc2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821803162 607007668 /nfs/dbraw/zinc/00/76/68/607007668.db2.gz CSJCIBQGFZVUOP-INIZCTEOSA-N -1 3 377.370 3.139 20 0 GGADHM COc1cccc2sc(NC(=O)CSc3cccc(-c4nnn[n-]4)c3)nc21 ZINC000821877933 607014165 /nfs/dbraw/zinc/01/41/65/607014165.db2.gz ZQYIGKLLXVVPMG-UHFFFAOYSA-N -1 3 398.473 3.216 20 0 GGADHM COc1cccc2sc(NC(=O)CSc3cccc(-c4nn[n-]n4)c3)nc21 ZINC000821877933 607014167 /nfs/dbraw/zinc/01/41/67/607014167.db2.gz ZQYIGKLLXVVPMG-UHFFFAOYSA-N -1 3 398.473 3.216 20 0 GGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSc2ccccc21 ZINC000820554865 607014575 /nfs/dbraw/zinc/01/45/75/607014575.db2.gz ALXLUPOWTDTMEW-GFCCVEGCSA-N -1 3 383.502 3.486 20 0 GGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSc2ccccc21 ZINC000820554865 607014576 /nfs/dbraw/zinc/01/45/76/607014576.db2.gz ALXLUPOWTDTMEW-GFCCVEGCSA-N -1 3 383.502 3.486 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821882926 607015666 /nfs/dbraw/zinc/01/56/66/607015666.db2.gz NQJGZLCUBSQRFT-OLZOCXBDSA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821882926 607015668 /nfs/dbraw/zinc/01/56/68/607015668.db2.gz NQJGZLCUBSQRFT-OLZOCXBDSA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821882927 607015682 /nfs/dbraw/zinc/01/56/82/607015682.db2.gz NQJGZLCUBSQRFT-QWHCGFSZSA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821882927 607015685 /nfs/dbraw/zinc/01/56/85/607015685.db2.gz NQJGZLCUBSQRFT-QWHCGFSZSA-N -1 3 383.477 3.233 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)cc2)o1 ZINC000822505165 607019520 /nfs/dbraw/zinc/01/95/20/607019520.db2.gz ASXGINHWJSRTSV-UHFFFAOYSA-N -1 3 392.423 3.034 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)cc2)o1 ZINC000822505165 607019521 /nfs/dbraw/zinc/01/95/21/607019521.db2.gz ASXGINHWJSRTSV-UHFFFAOYSA-N -1 3 392.423 3.034 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000819996561 607019685 /nfs/dbraw/zinc/01/96/85/607019685.db2.gz HTVYPRIRZQKKRN-KRWDZBQOSA-N -1 3 393.447 3.054 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000819996561 607019686 /nfs/dbraw/zinc/01/96/86/607019686.db2.gz HTVYPRIRZQKKRN-KRWDZBQOSA-N -1 3 393.447 3.054 20 0 GGADHM CC(C)[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1nc(-c2ccncc2)no1 ZINC000820027443 607027238 /nfs/dbraw/zinc/02/72/38/607027238.db2.gz SCXIYAQKQCDTHF-OAHLLOKOSA-N -1 3 380.387 3.260 20 0 GGADHM CC(C)[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1nc(-c2ccncc2)no1 ZINC000820027443 607027240 /nfs/dbraw/zinc/02/72/40/607027240.db2.gz SCXIYAQKQCDTHF-OAHLLOKOSA-N -1 3 380.387 3.260 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000822221567 607030112 /nfs/dbraw/zinc/03/01/12/607030112.db2.gz VDDFTZRPFWTQHQ-UHFFFAOYSA-N -1 3 389.415 3.277 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000822221567 607030114 /nfs/dbraw/zinc/03/01/14/607030114.db2.gz VDDFTZRPFWTQHQ-UHFFFAOYSA-N -1 3 389.415 3.277 20 0 GGADHM CCCc1nnc(Sc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)o1 ZINC000821142682 607030273 /nfs/dbraw/zinc/03/02/73/607030273.db2.gz LBCUMUUQVCGCQU-UHFFFAOYSA-N -1 3 392.448 3.463 20 0 GGADHM CCCc1nnc(Sc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)o1 ZINC000821142682 607030275 /nfs/dbraw/zinc/03/02/75/607030275.db2.gz LBCUMUUQVCGCQU-UHFFFAOYSA-N -1 3 392.448 3.463 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000822221590 607030422 /nfs/dbraw/zinc/03/04/22/607030422.db2.gz WDUSEEXKMWEJFL-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000822221590 607030424 /nfs/dbraw/zinc/03/04/24/607030424.db2.gz WDUSEEXKMWEJFL-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM CCCCC[C@@H](C)NC(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821049317 607030743 /nfs/dbraw/zinc/03/07/43/607030743.db2.gz KPCHLWRICSPNTN-LLVKDONJSA-N -1 3 396.289 3.093 20 0 GGADHM CCCCC[C@@H](C)NC(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821049317 607030745 /nfs/dbraw/zinc/03/07/45/607030745.db2.gz KPCHLWRICSPNTN-LLVKDONJSA-N -1 3 396.289 3.093 20 0 GGADHM CCOc1cc(Cl)ccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821394962 607032995 /nfs/dbraw/zinc/03/29/95/607032995.db2.gz QUUIMEDVFXQYAR-MRXNPFEDSA-N -1 3 398.854 3.136 20 0 GGADHM CCOc1cc(Cl)ccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821394962 607032996 /nfs/dbraw/zinc/03/29/96/607032996.db2.gz QUUIMEDVFXQYAR-MRXNPFEDSA-N -1 3 398.854 3.136 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823308557 607036655 /nfs/dbraw/zinc/03/66/55/607036655.db2.gz FBZNDFRQWFAXIM-SJORKVTESA-N -1 3 396.451 3.360 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823308557 607036657 /nfs/dbraw/zinc/03/66/57/607036657.db2.gz FBZNDFRQWFAXIM-SJORKVTESA-N -1 3 396.451 3.360 20 0 GGADHM Cc1ccc(-n2cnnc2SCc2cc(F)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822225262 607038263 /nfs/dbraw/zinc/03/82/63/607038263.db2.gz VPIOBAZSZVYXRS-UHFFFAOYSA-N -1 3 381.440 3.496 20 0 GGADHM Cc1ccc(-n2cnnc2SCc2cc(F)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822225262 607038265 /nfs/dbraw/zinc/03/82/65/607038265.db2.gz VPIOBAZSZVYXRS-UHFFFAOYSA-N -1 3 381.440 3.496 20 0 GGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820232286 607041305 /nfs/dbraw/zinc/04/13/05/607041305.db2.gz FLLVLIQVXJNVKV-ZANVPECISA-N -1 3 396.348 3.344 20 0 GGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820232286 607041306 /nfs/dbraw/zinc/04/13/06/607041306.db2.gz FLLVLIQVXJNVKV-ZANVPECISA-N -1 3 396.348 3.344 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000822221609 607042097 /nfs/dbraw/zinc/04/20/97/607042097.db2.gz WUVCRBWVVKVZCU-GFCCVEGCSA-N -1 3 387.390 3.052 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000822221609 607042099 /nfs/dbraw/zinc/04/20/99/607042099.db2.gz WUVCRBWVVKVZCU-GFCCVEGCSA-N -1 3 387.390 3.052 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000821447737 607043198 /nfs/dbraw/zinc/04/31/98/607043198.db2.gz KJGTXWVVYIHIKG-SECBINFHSA-N -1 3 379.877 3.354 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000821447737 607043200 /nfs/dbraw/zinc/04/32/00/607043200.db2.gz KJGTXWVVYIHIKG-SECBINFHSA-N -1 3 379.877 3.354 20 0 GGADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H]1n1ccnc1 ZINC000820727638 607047333 /nfs/dbraw/zinc/04/73/33/607047333.db2.gz NCTXEHQQWIIWPY-XHDPSFHLSA-N -1 3 377.374 3.170 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1c(Cl)cccc1Cl ZINC000822222436 607049356 /nfs/dbraw/zinc/04/93/56/607049356.db2.gz GPJQYJLSNWRZJY-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1c(Cl)cccc1Cl ZINC000822222436 607049357 /nfs/dbraw/zinc/04/93/57/607049357.db2.gz GPJQYJLSNWRZJY-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@@H]2CC[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000821346935 607052846 /nfs/dbraw/zinc/05/28/46/607052846.db2.gz RVNFCVVQRMVEQR-GXSJLCMTSA-N -1 3 377.470 3.178 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@@H]2CC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000821346935 607052848 /nfs/dbraw/zinc/05/28/48/607052848.db2.gz RVNFCVVQRMVEQR-GXSJLCMTSA-N -1 3 377.470 3.178 20 0 GGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000820586622 607054574 /nfs/dbraw/zinc/05/45/74/607054574.db2.gz XWAGENAOUNUYCX-PYUISTEWSA-N -1 3 393.422 3.438 20 0 GGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820586622 607054576 /nfs/dbraw/zinc/05/45/76/607054576.db2.gz XWAGENAOUNUYCX-PYUISTEWSA-N -1 3 393.422 3.438 20 0 GGADHM CC1(C)C[C@@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2O1 ZINC000820585842 607054697 /nfs/dbraw/zinc/05/46/97/607054697.db2.gz QOEDQOIMAKPFAH-QGZVFWFLSA-N -1 3 395.438 3.357 20 0 GGADHM CC1(C)C[C@@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2O1 ZINC000820585842 607054699 /nfs/dbraw/zinc/05/46/99/607054699.db2.gz QOEDQOIMAKPFAH-QGZVFWFLSA-N -1 3 395.438 3.357 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821798529 607055992 /nfs/dbraw/zinc/05/59/92/607055992.db2.gz DIADSIGUKIQMLY-LLVKDONJSA-N -1 3 386.843 3.089 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821798529 607055994 /nfs/dbraw/zinc/05/59/94/607055994.db2.gz DIADSIGUKIQMLY-LLVKDONJSA-N -1 3 386.843 3.089 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822299605 607056266 /nfs/dbraw/zinc/05/62/66/607056266.db2.gz ORCXOAZZCYIOCG-RDTXWAMCSA-N -1 3 377.452 3.178 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822299605 607056267 /nfs/dbraw/zinc/05/62/67/607056267.db2.gz ORCXOAZZCYIOCG-RDTXWAMCSA-N -1 3 377.452 3.178 20 0 GGADHM Cc1c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccc1 ZINC000822020704 607057542 /nfs/dbraw/zinc/05/75/42/607057542.db2.gz HJFXTFHLBIOSAF-CYBMUJFWSA-N -1 3 377.427 3.351 20 0 GGADHM Cc1c([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822020842 607057844 /nfs/dbraw/zinc/05/78/44/607057844.db2.gz KVXVKMJVBGCABC-LBPRGKRZSA-N -1 3 395.417 3.490 20 0 GGADHM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821139253 607059764 /nfs/dbraw/zinc/05/97/64/607059764.db2.gz RLGHZRJPVYKQGX-CQSZACIVSA-N -1 3 396.470 3.007 20 0 GGADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000820313078 607060583 /nfs/dbraw/zinc/06/05/83/607060583.db2.gz AEFQJDLVVMCFQN-LLVKDONJSA-N -1 3 387.390 3.180 20 0 GGADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000820313078 607060585 /nfs/dbraw/zinc/06/05/85/607060585.db2.gz AEFQJDLVVMCFQN-LLVKDONJSA-N -1 3 387.390 3.180 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822228789 607061709 /nfs/dbraw/zinc/06/17/09/607061709.db2.gz FRHQWEGNSRNABY-CYBMUJFWSA-N -1 3 383.427 3.349 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822228789 607061711 /nfs/dbraw/zinc/06/17/11/607061711.db2.gz FRHQWEGNSRNABY-CYBMUJFWSA-N -1 3 383.427 3.349 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822497012 607064370 /nfs/dbraw/zinc/06/43/70/607064370.db2.gz WFINBFNFVJOSSZ-CQSZACIVSA-N -1 3 375.839 3.038 20 0 GGADHM CC(C)CCn1ccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n1 ZINC000820081316 607067626 /nfs/dbraw/zinc/06/76/26/607067626.db2.gz BOOMBXYGLUQBOF-GOSISDBHSA-N -1 3 397.483 3.151 20 0 GGADHM CC(C)CCn1ccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n1 ZINC000820081316 607067628 /nfs/dbraw/zinc/06/76/28/607067628.db2.gz BOOMBXYGLUQBOF-GOSISDBHSA-N -1 3 397.483 3.151 20 0 GGADHM COc1ccc2c(CC(=O)OCc3cc(F)ccc3-c3nnn[n-]3)coc2c1 ZINC000821849421 607073242 /nfs/dbraw/zinc/07/32/42/607073242.db2.gz HWVNLURXMQMMHI-UHFFFAOYSA-N -1 3 382.351 3.047 20 0 GGADHM COc1ccc2c(CC(=O)OCc3cc(F)ccc3-c3nn[n-]n3)coc2c1 ZINC000821849421 607073244 /nfs/dbraw/zinc/07/32/44/607073244.db2.gz HWVNLURXMQMMHI-UHFFFAOYSA-N -1 3 382.351 3.047 20 0 GGADHM COCC1(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)CC1 ZINC000821684211 607073609 /nfs/dbraw/zinc/07/36/09/607073609.db2.gz VIZJYPVRSYWKGY-UHFFFAOYSA-N -1 3 399.838 3.221 20 0 GGADHM COCC1(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)CC1 ZINC000821684211 607073611 /nfs/dbraw/zinc/07/36/11/607073611.db2.gz VIZJYPVRSYWKGY-UHFFFAOYSA-N -1 3 399.838 3.221 20 0 GGADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822945382 607076195 /nfs/dbraw/zinc/07/61/95/607076195.db2.gz CQCAPSXWVQVTQP-UHFFFAOYSA-N -1 3 394.406 3.201 20 0 GGADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822945382 607076198 /nfs/dbraw/zinc/07/61/98/607076198.db2.gz CQCAPSXWVQVTQP-UHFFFAOYSA-N -1 3 394.406 3.201 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822299166 607077086 /nfs/dbraw/zinc/07/70/86/607077086.db2.gz ADXXLARWNIRJMN-SFHVURJKSA-N -1 3 394.504 3.167 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822299166 607077087 /nfs/dbraw/zinc/07/70/87/607077087.db2.gz ADXXLARWNIRJMN-SFHVURJKSA-N -1 3 394.504 3.167 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822554224 607077603 /nfs/dbraw/zinc/07/76/03/607077603.db2.gz XCRUPQKMXOUSQX-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822554224 607077605 /nfs/dbraw/zinc/07/76/05/607077605.db2.gz XCRUPQKMXOUSQX-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM O=C(CCc1ccc(OC(F)F)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822983721 607079465 /nfs/dbraw/zinc/07/94/65/607079465.db2.gz SRMFZZILMLSDAB-UHFFFAOYSA-N -1 3 392.337 3.283 20 0 GGADHM O=C(CCc1ccc(OC(F)F)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822983721 607079467 /nfs/dbraw/zinc/07/94/67/607079467.db2.gz SRMFZZILMLSDAB-UHFFFAOYSA-N -1 3 392.337 3.283 20 0 GGADHM O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823082650 607079655 /nfs/dbraw/zinc/07/96/55/607079655.db2.gz OESYZUZEKMFJFK-UHFFFAOYSA-N -1 3 396.300 3.190 20 0 GGADHM O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823082650 607079656 /nfs/dbraw/zinc/07/96/56/607079656.db2.gz OESYZUZEKMFJFK-UHFFFAOYSA-N -1 3 396.300 3.190 20 0 GGADHM O=C(COc1ccc(C(F)(F)F)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823040164 607079665 /nfs/dbraw/zinc/07/96/65/607079665.db2.gz DVLNWKYRGULTKI-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(COc1ccc(C(F)(F)F)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823040164 607079666 /nfs/dbraw/zinc/07/96/66/607079666.db2.gz DVLNWKYRGULTKI-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c2c(n1)onc2C(C)C ZINC000822183618 607080778 /nfs/dbraw/zinc/08/07/78/607080778.db2.gz IXFRDPIOLSYYQQ-UHFFFAOYSA-N -1 3 396.382 3.331 20 0 GGADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c2c(n1)onc2C(C)C ZINC000822183618 607080780 /nfs/dbraw/zinc/08/07/80/607080780.db2.gz IXFRDPIOLSYYQQ-UHFFFAOYSA-N -1 3 396.382 3.331 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1csc(-c2ccc(O)cc2)n1 ZINC000823418344 607083375 /nfs/dbraw/zinc/08/33/75/607083375.db2.gz PXGXETYVJDAVAG-UHFFFAOYSA-N -1 3 397.391 3.192 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1csc(-c2ccc(O)cc2)n1 ZINC000823418344 607083377 /nfs/dbraw/zinc/08/33/77/607083377.db2.gz PXGXETYVJDAVAG-UHFFFAOYSA-N -1 3 397.391 3.192 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822959069 607088094 /nfs/dbraw/zinc/08/80/94/607088094.db2.gz PYXDLPHLSUWHFL-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822959069 607088095 /nfs/dbraw/zinc/08/80/95/607088095.db2.gz PYXDLPHLSUWHFL-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1NC1CC1 ZINC000823065891 607099307 /nfs/dbraw/zinc/09/93/07/607099307.db2.gz DJSKZMBEPARTOK-UHFFFAOYSA-N -1 3 384.440 3.311 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1NC1CC1 ZINC000823065891 607099309 /nfs/dbraw/zinc/09/93/09/607099309.db2.gz DJSKZMBEPARTOK-UHFFFAOYSA-N -1 3 384.440 3.311 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Br)cc1 ZINC000821304789 607099755 /nfs/dbraw/zinc/09/97/55/607099755.db2.gz RECIFTGXWMUBEV-UHFFFAOYSA-N -1 3 387.241 3.313 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000821305138 607101012 /nfs/dbraw/zinc/10/10/12/607101012.db2.gz YUQBMDBASQGEMS-UHFFFAOYSA-N -1 3 385.497 3.234 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000821292831 607101459 /nfs/dbraw/zinc/10/14/59/607101459.db2.gz FAPUXMUVSJYWQJ-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)Nc1cccc3ccccc31)C2 ZINC000822912185 607102305 /nfs/dbraw/zinc/10/23/05/607102305.db2.gz QFBABFRIFYOAMX-UHFFFAOYSA-N -1 3 391.460 3.254 20 0 GGADHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)Nc1cccc3ccccc31)C2 ZINC000822912185 607102307 /nfs/dbraw/zinc/10/23/07/607102307.db2.gz QFBABFRIFYOAMX-UHFFFAOYSA-N -1 3 391.460 3.254 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820957326 607108052 /nfs/dbraw/zinc/10/80/52/607108052.db2.gz NDLMBFILHKENGE-RRQGHBQHSA-N -1 3 386.500 3.163 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820957326 607108055 /nfs/dbraw/zinc/10/80/55/607108055.db2.gz NDLMBFILHKENGE-RRQGHBQHSA-N -1 3 386.500 3.163 20 0 GGADHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000820767613 607115727 /nfs/dbraw/zinc/11/57/27/607115727.db2.gz IYOZQOQTVFZNSB-SJKOYZFVSA-N -1 3 378.461 3.443 20 0 GGADHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000820767613 607115728 /nfs/dbraw/zinc/11/57/28/607115728.db2.gz IYOZQOQTVFZNSB-SJKOYZFVSA-N -1 3 378.461 3.443 20 0 GGADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000820767615 607116186 /nfs/dbraw/zinc/11/61/86/607116186.db2.gz IYOZQOQTVFZNSB-YVEFUNNKSA-N -1 3 378.461 3.443 20 0 GGADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000820767615 607116187 /nfs/dbraw/zinc/11/61/87/607116187.db2.gz IYOZQOQTVFZNSB-YVEFUNNKSA-N -1 3 378.461 3.443 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822420008 607116482 /nfs/dbraw/zinc/11/64/82/607116482.db2.gz YJXFKIUSDCRRRQ-UHFFFAOYSA-N -1 3 390.378 3.128 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822420008 607116484 /nfs/dbraw/zinc/11/64/84/607116484.db2.gz YJXFKIUSDCRRRQ-UHFFFAOYSA-N -1 3 390.378 3.128 20 0 GGADHM CSc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821984001 607119075 /nfs/dbraw/zinc/11/90/75/607119075.db2.gz LDCBUUGWYCZAHH-UHFFFAOYSA-N -1 3 384.461 3.489 20 0 GGADHM CSc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821984001 607119076 /nfs/dbraw/zinc/11/90/76/607119076.db2.gz LDCBUUGWYCZAHH-UHFFFAOYSA-N -1 3 384.461 3.489 20 0 GGADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000822500790 607119222 /nfs/dbraw/zinc/11/92/22/607119222.db2.gz HHHPGUQMHSLLLT-CQSZACIVSA-N -1 3 386.891 3.418 20 0 GGADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000822500790 607119223 /nfs/dbraw/zinc/11/92/23/607119223.db2.gz HHHPGUQMHSLLLT-CQSZACIVSA-N -1 3 386.891 3.418 20 0 GGADHM C[C@@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820758835 607122685 /nfs/dbraw/zinc/12/26/85/607122685.db2.gz DOPXURFDKPGAIB-DYVFJYSZSA-N -1 3 380.477 3.143 20 0 GGADHM C[C@@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820758835 607122686 /nfs/dbraw/zinc/12/26/86/607122686.db2.gz DOPXURFDKPGAIB-DYVFJYSZSA-N -1 3 380.477 3.143 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCOC2(CCC2)C1 ZINC000822775683 607133888 /nfs/dbraw/zinc/13/38/88/607133888.db2.gz ZWZIHHWTLXWIRK-SNVBAGLBSA-N -1 3 388.834 3.143 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCOC2(CCC2)C1 ZINC000822775683 607133890 /nfs/dbraw/zinc/13/38/90/607133890.db2.gz ZWZIHHWTLXWIRK-SNVBAGLBSA-N -1 3 388.834 3.143 20 0 GGADHM COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821877669 607134765 /nfs/dbraw/zinc/13/47/65/607134765.db2.gz PHRSYPLXKCDSHU-HNNXBMFYSA-N -1 3 384.827 3.338 20 0 GGADHM COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821877669 607134767 /nfs/dbraw/zinc/13/47/67/607134767.db2.gz PHRSYPLXKCDSHU-HNNXBMFYSA-N -1 3 384.827 3.338 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000820563099 607136262 /nfs/dbraw/zinc/13/62/62/607136262.db2.gz NRXMBPGETAZPMD-NSHDSACASA-N -1 3 389.818 3.258 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000820563099 607136263 /nfs/dbraw/zinc/13/62/63/607136263.db2.gz NRXMBPGETAZPMD-NSHDSACASA-N -1 3 389.818 3.258 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC000820742710 607137490 /nfs/dbraw/zinc/13/74/90/607137490.db2.gz MHPZOQQNQLNRDL-BONVTDFDSA-N -1 3 388.428 3.061 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC000820742710 607137491 /nfs/dbraw/zinc/13/74/91/607137491.db2.gz MHPZOQQNQLNRDL-BONVTDFDSA-N -1 3 388.428 3.061 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](c2ccsc2)O1 ZINC000820742712 607137766 /nfs/dbraw/zinc/13/77/66/607137766.db2.gz MHPZOQQNQLNRDL-ZUZCIYMTSA-N -1 3 388.428 3.061 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](c2ccsc2)O1 ZINC000820742712 607137768 /nfs/dbraw/zinc/13/77/68/607137768.db2.gz MHPZOQQNQLNRDL-ZUZCIYMTSA-N -1 3 388.428 3.061 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1-n1cccn1 ZINC000820379367 607139055 /nfs/dbraw/zinc/13/90/55/607139055.db2.gz BNKMABSVIPQANQ-GFCCVEGCSA-N -1 3 392.398 3.074 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1-n1cccn1 ZINC000820379367 607139057 /nfs/dbraw/zinc/13/90/57/607139057.db2.gz BNKMABSVIPQANQ-GFCCVEGCSA-N -1 3 392.398 3.074 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCC1CCCC1 ZINC000823567648 607142023 /nfs/dbraw/zinc/14/20/23/607142023.db2.gz VHXDJKDQNOPELC-SFHVURJKSA-N -1 3 389.525 3.131 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCC1CCCC1 ZINC000823567648 607142025 /nfs/dbraw/zinc/14/20/25/607142025.db2.gz VHXDJKDQNOPELC-SFHVURJKSA-N -1 3 389.525 3.131 20 0 GGADHM O=S(=O)(C=Cc1ccccc1Cl)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823557067 607143072 /nfs/dbraw/zinc/14/30/72/607143072.db2.gz FWMYYCCKDJTXFN-FPLPWBNLSA-N -1 3 380.788 3.039 20 0 GGADHM O=S(=O)(C=Cc1ccccc1Cl)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823557067 607143074 /nfs/dbraw/zinc/14/30/74/607143074.db2.gz FWMYYCCKDJTXFN-FPLPWBNLSA-N -1 3 380.788 3.039 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821015065 607144147 /nfs/dbraw/zinc/14/41/47/607144147.db2.gz NTUJINPNZIVZJS-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821015065 607144149 /nfs/dbraw/zinc/14/41/49/607144149.db2.gz NTUJINPNZIVZJS-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM CC(=O)Nc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc(C(F)(F)F)c1 ZINC000819810395 607144993 /nfs/dbraw/zinc/14/49/93/607144993.db2.gz IVCQPJFZNMYOGZ-UHFFFAOYSA-N -1 3 391.309 3.063 20 0 GGADHM CC(=O)Nc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc(C(F)(F)F)c1 ZINC000819810395 607144995 /nfs/dbraw/zinc/14/49/95/607144995.db2.gz IVCQPJFZNMYOGZ-UHFFFAOYSA-N -1 3 391.309 3.063 20 0 GGADHM C[C@@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820385481 607145473 /nfs/dbraw/zinc/14/54/73/607145473.db2.gz SJUZFOQSBQCTDM-SNVBAGLBSA-N -1 3 395.373 3.026 20 0 GGADHM O=c1[nH]c2ccc(N(C/C=C\Cl)Cc3ccc(-c4nnn[n-]4)cc3)cc2[nH]1 ZINC000823656786 607147408 /nfs/dbraw/zinc/14/74/08/607147408.db2.gz IIIHCLILRVWWHF-QPIMQUGISA-N -1 3 381.827 3.208 20 0 GGADHM O=c1[nH]c2ccc(N(C/C=C\Cl)Cc3ccc(-c4nn[n-]n4)cc3)cc2[nH]1 ZINC000823656786 607147410 /nfs/dbraw/zinc/14/74/10/607147410.db2.gz IIIHCLILRVWWHF-QPIMQUGISA-N -1 3 381.827 3.208 20 0 GGADHM S=C(NCCc1ccc(Cl)nc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823733048 607151688 /nfs/dbraw/zinc/15/16/88/607151688.db2.gz SLEQDAPTAXPPME-UHFFFAOYSA-N -1 3 394.291 3.098 20 0 GGADHM S=C(NCCc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823733048 607151690 /nfs/dbraw/zinc/15/16/90/607151690.db2.gz SLEQDAPTAXPPME-UHFFFAOYSA-N -1 3 394.291 3.098 20 0 GGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(Br)s1 ZINC000822166933 607157132 /nfs/dbraw/zinc/15/71/32/607157132.db2.gz ABYCDKJIKQCYCV-UHFFFAOYSA-N -1 3 378.255 3.276 20 0 GGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(Br)s1 ZINC000822166933 607157133 /nfs/dbraw/zinc/15/71/33/607157133.db2.gz ABYCDKJIKQCYCV-UHFFFAOYSA-N -1 3 378.255 3.276 20 0 GGADHM Cc1ncsc1-c1nc(CSc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000822482577 607157695 /nfs/dbraw/zinc/15/76/95/607157695.db2.gz WVAFGOFUIGEOSG-UHFFFAOYSA-N -1 3 375.414 3.113 20 0 GGADHM Cc1ncsc1-c1nc(CSc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000822482577 607157696 /nfs/dbraw/zinc/15/76/96/607157696.db2.gz WVAFGOFUIGEOSG-UHFFFAOYSA-N -1 3 375.414 3.113 20 0 GGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Br)cc1F ZINC000820507348 607157899 /nfs/dbraw/zinc/15/78/99/607157899.db2.gz GXUJIKDUNGTEGS-QMMMGPOBSA-N -1 3 392.188 3.081 20 0 GGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Br)cc1F ZINC000820507348 607157901 /nfs/dbraw/zinc/15/79/01/607157901.db2.gz GXUJIKDUNGTEGS-QMMMGPOBSA-N -1 3 392.188 3.081 20 0 GGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Br)cc1F ZINC000820507345 607158071 /nfs/dbraw/zinc/15/80/71/607158071.db2.gz GXUJIKDUNGTEGS-MRVPVSSYSA-N -1 3 392.188 3.081 20 0 GGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Br)cc1F ZINC000820507345 607158072 /nfs/dbraw/zinc/15/80/72/607158072.db2.gz GXUJIKDUNGTEGS-MRVPVSSYSA-N -1 3 392.188 3.081 20 0 GGADHM Cc1cc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)sn1 ZINC000822209581 607158508 /nfs/dbraw/zinc/15/85/08/607158508.db2.gz OUNJLACXLSVVAQ-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM Cc1cc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)sn1 ZINC000822209581 607158510 /nfs/dbraw/zinc/15/85/10/607158510.db2.gz OUNJLACXLSVVAQ-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM CC1(c2ccccc2)CCC(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820633545 607168427 /nfs/dbraw/zinc/16/84/27/607168427.db2.gz CDPLRPFTLBLBGD-UHFFFAOYSA-N -1 3 375.476 3.426 20 0 GGADHM CC1(c2ccccc2)CCC(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820633545 607168428 /nfs/dbraw/zinc/16/84/28/607168428.db2.gz CDPLRPFTLBLBGD-UHFFFAOYSA-N -1 3 375.476 3.426 20 0 GGADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823154884 607169321 /nfs/dbraw/zinc/16/93/21/607169321.db2.gz LZLYFZCEDLNGAD-OAHLLOKOSA-N -1 3 389.459 3.365 20 0 GGADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823154884 607169322 /nfs/dbraw/zinc/16/93/22/607169322.db2.gz LZLYFZCEDLNGAD-OAHLLOKOSA-N -1 3 389.459 3.365 20 0 GGADHM FC(F)(F)c1cc(N[C@H]2CCOC3(CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723730 607175819 /nfs/dbraw/zinc/17/58/19/607175819.db2.gz MIOCIJZTIFFLJS-LBPRGKRZSA-N -1 3 383.374 3.026 20 0 GGADHM FC(F)(F)c1cc(N[C@H]2CCOC3(CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723730 607175820 /nfs/dbraw/zinc/17/58/20/607175820.db2.gz MIOCIJZTIFFLJS-LBPRGKRZSA-N -1 3 383.374 3.026 20 0 GGADHM Cc1cccc(-c2cncc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)c2)c1 ZINC000822283738 607177724 /nfs/dbraw/zinc/17/77/24/607177724.db2.gz BUGCUMIOAFVKCN-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM Cc1cccc(-c2cncc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)c2)c1 ZINC000822283738 607177725 /nfs/dbraw/zinc/17/77/25/607177725.db2.gz BUGCUMIOAFVKCN-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C)cc1 ZINC000820914314 607179781 /nfs/dbraw/zinc/17/97/81/607179781.db2.gz OILGJJGBJLUDMA-HNNXBMFYSA-N -1 3 398.854 3.035 20 0 GGADHM CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C)cc1 ZINC000820914314 607179782 /nfs/dbraw/zinc/17/97/82/607179782.db2.gz OILGJJGBJLUDMA-HNNXBMFYSA-N -1 3 398.854 3.035 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1cccc(-c2nnn[n-]2)c1 ZINC000820512995 607184406 /nfs/dbraw/zinc/18/44/06/607184406.db2.gz RSBKKLNQTVTDBJ-NSHDSACASA-N -1 3 377.404 3.014 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1cccc(-c2nn[n-]n2)c1 ZINC000820512995 607184407 /nfs/dbraw/zinc/18/44/07/607184407.db2.gz RSBKKLNQTVTDBJ-NSHDSACASA-N -1 3 377.404 3.014 20 0 GGADHM O=C(CCCOc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822959109 607190058 /nfs/dbraw/zinc/19/00/58/607190058.db2.gz RVMILRZLUDKGDP-UHFFFAOYSA-N -1 3 375.791 3.457 20 0 GGADHM O=C(CCCOc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822959109 607190059 /nfs/dbraw/zinc/19/00/59/607190059.db2.gz RVMILRZLUDKGDP-UHFFFAOYSA-N -1 3 375.791 3.457 20 0 GGADHM COc1cccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821877234 607190623 /nfs/dbraw/zinc/19/06/23/607190623.db2.gz DZHBUBVCPKXAKJ-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM COc1cccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821877234 607190624 /nfs/dbraw/zinc/19/06/24/607190624.db2.gz DZHBUBVCPKXAKJ-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM O=C(CSCC(=O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823054892 607191205 /nfs/dbraw/zinc/19/12/05/607191205.db2.gz GZXKHAFOJOMKPG-UHFFFAOYSA-N -1 3 387.852 3.075 20 0 GGADHM O=C(CSCC(=O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823054892 607191206 /nfs/dbraw/zinc/19/12/06/607191206.db2.gz GZXKHAFOJOMKPG-UHFFFAOYSA-N -1 3 387.852 3.075 20 0 GGADHM COc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c2cccnc12 ZINC000821831539 607194379 /nfs/dbraw/zinc/19/43/79/607194379.db2.gz CZSIGDYMKRUBNJ-UHFFFAOYSA-N -1 3 389.419 3.087 20 0 GGADHM COc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c2cccnc12 ZINC000821831539 607194380 /nfs/dbraw/zinc/19/43/80/607194380.db2.gz CZSIGDYMKRUBNJ-UHFFFAOYSA-N -1 3 389.419 3.087 20 0 GGADHM CN(CCOc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821604783 607195840 /nfs/dbraw/zinc/19/58/40/607195840.db2.gz GLJCEAVHXQUHLS-UHFFFAOYSA-N -1 3 390.806 3.202 20 0 GGADHM CN(CCOc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821604783 607195841 /nfs/dbraw/zinc/19/58/41/607195841.db2.gz GLJCEAVHXQUHLS-UHFFFAOYSA-N -1 3 390.806 3.202 20 0 GGADHM O=C(NCc1ccc(OC(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823254422 607196095 /nfs/dbraw/zinc/19/60/95/607196095.db2.gz UFSYJUPZDIBVQM-UHFFFAOYSA-N -1 3 394.769 3.443 20 0 GGADHM O=C(NCc1ccc(OC(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823254422 607196096 /nfs/dbraw/zinc/19/60/96/607196096.db2.gz UFSYJUPZDIBVQM-UHFFFAOYSA-N -1 3 394.769 3.443 20 0 GGADHM CC(C)COC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820096932 607196341 /nfs/dbraw/zinc/19/63/41/607196341.db2.gz IPIBCPZSDDTNNU-UHFFFAOYSA-N -1 3 378.864 3.189 20 0 GGADHM CC(C)COC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820096932 607196342 /nfs/dbraw/zinc/19/63/42/607196342.db2.gz IPIBCPZSDDTNNU-UHFFFAOYSA-N -1 3 378.864 3.189 20 0 GGADHM O=C(NCc1cc(=O)[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823241741 607197517 /nfs/dbraw/zinc/19/75/17/607197517.db2.gz FNURQFQCLBHJCJ-UHFFFAOYSA-N -1 3 395.810 3.096 20 0 GGADHM O=C(NCc1cc(=O)[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823241741 607197518 /nfs/dbraw/zinc/19/75/18/607197518.db2.gz FNURQFQCLBHJCJ-UHFFFAOYSA-N -1 3 395.810 3.096 20 0 GGADHM Cc1ccc(OCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000822263732 607198464 /nfs/dbraw/zinc/19/84/64/607198464.db2.gz YGAJHVGZHBZYQH-UHFFFAOYSA-N -1 3 386.843 3.337 20 0 GGADHM Cc1ccc(OCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000822263732 607198465 /nfs/dbraw/zinc/19/84/65/607198465.db2.gz YGAJHVGZHBZYQH-UHFFFAOYSA-N -1 3 386.843 3.337 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC000823314531 607199547 /nfs/dbraw/zinc/19/95/47/607199547.db2.gz PIHAMWACDPIYDG-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC000823314531 607199548 /nfs/dbraw/zinc/19/95/48/607199548.db2.gz PIHAMWACDPIYDG-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM O=C(NC[C@H]1OCCc2sccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823182106 607200382 /nfs/dbraw/zinc/20/03/82/607200382.db2.gz HYAQOZVAQXJSKA-CYBMUJFWSA-N -1 3 390.856 3.017 20 0 GGADHM O=C(NC[C@H]1OCCc2sccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823182106 607200383 /nfs/dbraw/zinc/20/03/83/607200383.db2.gz HYAQOZVAQXJSKA-CYBMUJFWSA-N -1 3 390.856 3.017 20 0 GGADHM O=C(NCCc1ccc2ccccc2n1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224314 607202175 /nfs/dbraw/zinc/20/21/75/607202175.db2.gz XRTJOZAZFVYXAA-UHFFFAOYSA-N -1 3 393.838 3.433 20 0 GGADHM O=C(NCCc1ccc2ccccc2n1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224314 607202176 /nfs/dbraw/zinc/20/21/76/607202176.db2.gz XRTJOZAZFVYXAA-UHFFFAOYSA-N -1 3 393.838 3.433 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820703167 607202394 /nfs/dbraw/zinc/20/23/94/607202394.db2.gz DBVCEIKOJKOTRV-IAQYHMDHSA-N -1 3 378.864 3.237 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820703167 607202395 /nfs/dbraw/zinc/20/23/95/607202395.db2.gz DBVCEIKOJKOTRV-IAQYHMDHSA-N -1 3 378.864 3.237 20 0 GGADHM Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822327306 607202876 /nfs/dbraw/zinc/20/28/76/607202876.db2.gz FYRBMANOPCNLSV-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822327306 607202877 /nfs/dbraw/zinc/20/28/77/607202877.db2.gz FYRBMANOPCNLSV-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM CO[C@H](C)c1nc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000821675351 607203612 /nfs/dbraw/zinc/20/36/12/607203612.db2.gz JGIMLTHNEJPXTB-MRVPVSSYSA-N -1 3 393.860 3.006 20 0 GGADHM CO[C@H](C)c1nc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821675351 607203613 /nfs/dbraw/zinc/20/36/13/607203613.db2.gz JGIMLTHNEJPXTB-MRVPVSSYSA-N -1 3 393.860 3.006 20 0 GGADHM CC1(C)CCC(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000820589689 607204243 /nfs/dbraw/zinc/20/42/43/607204243.db2.gz KVCGVOZAYJTFTC-UHFFFAOYSA-N -1 3 382.512 3.168 20 0 GGADHM CC1(C)CCC(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000820589689 607204244 /nfs/dbraw/zinc/20/42/44/607204244.db2.gz KVCGVOZAYJTFTC-UHFFFAOYSA-N -1 3 382.512 3.168 20 0 GGADHM CC(C)c1noc(CCCNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)n1 ZINC000820211125 607228070 /nfs/dbraw/zinc/22/80/70/607228070.db2.gz FCCJJEIPHSLVID-UHFFFAOYSA-N -1 3 381.362 3.437 20 0 GGADHM CC(C)c1noc(CCCNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)n1 ZINC000820211125 607228071 /nfs/dbraw/zinc/22/80/71/607228071.db2.gz FCCJJEIPHSLVID-UHFFFAOYSA-N -1 3 381.362 3.437 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821614868 607232770 /nfs/dbraw/zinc/23/27/70/607232770.db2.gz XXKYGFRVVPJHBZ-UHFFFAOYSA-N -1 3 396.760 3.206 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821614868 607232771 /nfs/dbraw/zinc/23/27/71/607232771.db2.gz XXKYGFRVVPJHBZ-UHFFFAOYSA-N -1 3 396.760 3.206 20 0 GGADHM CN(Cc1cccc2ccccc21)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821614839 607233698 /nfs/dbraw/zinc/23/36/98/607233698.db2.gz WVBABVXHGMVGDV-UHFFFAOYSA-N -1 3 378.823 3.341 20 0 GGADHM CN(Cc1cccc2ccccc21)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821614839 607233699 /nfs/dbraw/zinc/23/36/99/607233699.db2.gz WVBABVXHGMVGDV-UHFFFAOYSA-N -1 3 378.823 3.341 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000819817794 607235278 /nfs/dbraw/zinc/23/52/78/607235278.db2.gz NKAXXFOFBXBDON-UHFFFAOYSA-N -1 3 390.856 3.409 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000819817794 607235279 /nfs/dbraw/zinc/23/52/79/607235279.db2.gz NKAXXFOFBXBDON-UHFFFAOYSA-N -1 3 390.856 3.409 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(NC(C)=O)ccc2Cl)s1 ZINC000821466798 607237395 /nfs/dbraw/zinc/23/73/95/607237395.db2.gz ZQRGPUDQCKCUHQ-UHFFFAOYSA-N -1 3 390.856 3.355 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(NC(C)=O)ccc2Cl)s1 ZINC000821466798 607237396 /nfs/dbraw/zinc/23/73/96/607237396.db2.gz ZQRGPUDQCKCUHQ-UHFFFAOYSA-N -1 3 390.856 3.355 20 0 GGADHM CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000821422511 607237462 /nfs/dbraw/zinc/23/74/62/607237462.db2.gz XUVGPHHWIRMVSO-UHFFFAOYSA-N -1 3 381.436 3.370 20 0 GGADHM CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000821422511 607237463 /nfs/dbraw/zinc/23/74/63/607237463.db2.gz XUVGPHHWIRMVSO-UHFFFAOYSA-N -1 3 381.436 3.370 20 0 GGADHM CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccccn2)c1-c1nnn[n-]1 ZINC000821465617 607238000 /nfs/dbraw/zinc/23/80/00/607238000.db2.gz KSDKNTBAOYPCIM-UHFFFAOYSA-N -1 3 395.448 3.410 20 0 GGADHM CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccccn2)c1-c1nn[n-]n1 ZINC000821465617 607238001 /nfs/dbraw/zinc/23/80/01/607238001.db2.gz KSDKNTBAOYPCIM-UHFFFAOYSA-N -1 3 395.448 3.410 20 0 GGADHM CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccncc2)c1-c1nnn[n-]1 ZINC000821465466 607238085 /nfs/dbraw/zinc/23/80/85/607238085.db2.gz IIXLTJQHLKESCC-UHFFFAOYSA-N -1 3 395.448 3.410 20 0 GGADHM CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccncc2)c1-c1nn[n-]n1 ZINC000821465466 607238086 /nfs/dbraw/zinc/23/80/86/607238086.db2.gz IIXLTJQHLKESCC-UHFFFAOYSA-N -1 3 395.448 3.410 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)/C=C1/CC[C@@H](C)C1 ZINC000821698753 607240052 /nfs/dbraw/zinc/24/00/52/607240052.db2.gz XFNZTQZYKUABJN-WPVMNKCKSA-N -1 3 393.241 3.290 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)/C=C1/CC[C@@H](C)C1 ZINC000821698753 607240053 /nfs/dbraw/zinc/24/00/53/607240053.db2.gz XFNZTQZYKUABJN-WPVMNKCKSA-N -1 3 393.241 3.290 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821589701 607242021 /nfs/dbraw/zinc/24/20/21/607242021.db2.gz ZEYYVDMAXQDXQT-HUUCEWRRSA-N -1 3 382.855 3.328 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821589701 607242022 /nfs/dbraw/zinc/24/20/22/607242022.db2.gz ZEYYVDMAXQDXQT-HUUCEWRRSA-N -1 3 382.855 3.328 20 0 GGADHM COc1ccccc1-c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000821877212 607242323 /nfs/dbraw/zinc/24/23/23/607242323.db2.gz DJFJDDCPKUKBEB-UHFFFAOYSA-N -1 3 396.794 3.436 20 0 GGADHM COc1ccccc1-c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000821877212 607242324 /nfs/dbraw/zinc/24/23/24/607242324.db2.gz DJFJDDCPKUKBEB-UHFFFAOYSA-N -1 3 396.794 3.436 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccnc1N1CCCCC1 ZINC000823319047 607243142 /nfs/dbraw/zinc/24/31/42/607243142.db2.gz PLYYNVZOORSXGQ-UHFFFAOYSA-N -1 3 383.843 3.158 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccnc1N1CCCCC1 ZINC000823319047 607243143 /nfs/dbraw/zinc/24/31/43/607243143.db2.gz PLYYNVZOORSXGQ-UHFFFAOYSA-N -1 3 383.843 3.158 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccnc(OCC(F)(F)F)c1 ZINC000823319621 607243393 /nfs/dbraw/zinc/24/33/93/607243393.db2.gz WCMIXXKENIXDBL-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccnc(OCC(F)(F)F)c1 ZINC000823319621 607243394 /nfs/dbraw/zinc/24/33/94/607243394.db2.gz WCMIXXKENIXDBL-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cc(Br)cc1F ZINC000823450217 607246548 /nfs/dbraw/zinc/24/65/48/607246548.db2.gz KFWPZJZQFDPVAY-UHFFFAOYSA-N -1 3 399.126 3.266 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cc(Br)cc1F ZINC000823450217 607246549 /nfs/dbraw/zinc/24/65/49/607246549.db2.gz KFWPZJZQFDPVAY-UHFFFAOYSA-N -1 3 399.126 3.266 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)c(F)c1 ZINC000823450295 607248304 /nfs/dbraw/zinc/24/83/04/607248304.db2.gz NIJLSUNRYUJOIT-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)c(F)c1 ZINC000823450295 607248305 /nfs/dbraw/zinc/24/83/05/607248305.db2.gz NIJLSUNRYUJOIT-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822535591 607250679 /nfs/dbraw/zinc/25/06/79/607250679.db2.gz XOFZOAXYDHDTEW-UHFFFAOYSA-N -1 3 385.380 3.179 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822535591 607250680 /nfs/dbraw/zinc/25/06/80/607250680.db2.gz XOFZOAXYDHDTEW-UHFFFAOYSA-N -1 3 385.380 3.179 20 0 GGADHM CCc1ccc(NC(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1F ZINC000825711925 607772379 /nfs/dbraw/zinc/77/23/79/607772379.db2.gz JBDTTWNOIGQXNL-UHFFFAOYSA-N -1 3 399.426 3.375 20 0 GGADHM CCc1ccc(NC(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1F ZINC000825711925 607772380 /nfs/dbraw/zinc/77/23/80/607772380.db2.gz JBDTTWNOIGQXNL-UHFFFAOYSA-N -1 3 399.426 3.375 20 0 GGADHM O=C(C[C@H]1CSCCS1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826404671 607783420 /nfs/dbraw/zinc/78/34/20/607783420.db2.gz IMBRDSPKCJFBNL-JTQLQIEISA-N -1 3 395.579 3.374 20 0 GGADHM O=C(C[C@H]1CSCCS1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826404671 607783421 /nfs/dbraw/zinc/78/34/21/607783421.db2.gz IMBRDSPKCJFBNL-JTQLQIEISA-N -1 3 395.579 3.374 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=S)NC2CCCCC2)cc1-c1nnn[n-]1 ZINC000825545944 607784149 /nfs/dbraw/zinc/78/41/49/607784149.db2.gz YMKLHWHEIZPHHQ-UHFFFAOYSA-N -1 3 389.485 3.054 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=S)NC2CCCCC2)cc1-c1nn[n-]n1 ZINC000825545944 607784150 /nfs/dbraw/zinc/78/41/50/607784150.db2.gz YMKLHWHEIZPHHQ-UHFFFAOYSA-N -1 3 389.485 3.054 20 0 GGADHM CC[C@H](CSc1ccccc1)N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825127273 607784545 /nfs/dbraw/zinc/78/45/45/607784545.db2.gz LVBNIYBYZCKRSX-AEFFLSMTSA-N -1 3 397.504 3.241 20 0 GGADHM CC[C@H](CSc1ccccc1)N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825127273 607784546 /nfs/dbraw/zinc/78/45/46/607784546.db2.gz LVBNIYBYZCKRSX-AEFFLSMTSA-N -1 3 397.504 3.241 20 0 GGADHM Cc1nc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826326438 607785629 /nfs/dbraw/zinc/78/56/29/607785629.db2.gz PJOHXAKLQRHJDC-UHFFFAOYSA-N -1 3 382.733 3.495 20 0 GGADHM Cc1nc(Cl)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826326438 607785630 /nfs/dbraw/zinc/78/56/30/607785630.db2.gz PJOHXAKLQRHJDC-UHFFFAOYSA-N -1 3 382.733 3.495 20 0 GGADHM O=C(C[C@@H]1CSCCS1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826404495 607786147 /nfs/dbraw/zinc/78/61/47/607786147.db2.gz CBYLCGCHMRGFBK-SECBINFHSA-N -1 3 389.428 3.063 20 0 GGADHM O=C(C[C@@H]1CSCCS1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826404495 607786148 /nfs/dbraw/zinc/78/61/48/607786148.db2.gz CBYLCGCHMRGFBK-SECBINFHSA-N -1 3 389.428 3.063 20 0 GGADHM CN(C(=O)CCc1ccc(F)cc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825817984 607786240 /nfs/dbraw/zinc/78/62/40/607786240.db2.gz RRPLANXGPASMIO-UHFFFAOYSA-N -1 3 377.782 3.394 20 0 GGADHM CN(C(=O)CCc1ccc(F)cc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825817984 607786241 /nfs/dbraw/zinc/78/62/41/607786241.db2.gz RRPLANXGPASMIO-UHFFFAOYSA-N -1 3 377.782 3.394 20 0 GGADHM CN(C(=O)c1cc(F)c(F)cc1Br)c1ccccc1-c1nnn[n-]1 ZINC000825826048 607789795 /nfs/dbraw/zinc/78/97/95/607789795.db2.gz TXSUGTIZXZSNQU-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CN(C(=O)c1cc(F)c(F)cc1Br)c1ccccc1-c1nn[n-]n1 ZINC000825826048 607789796 /nfs/dbraw/zinc/78/97/96/607789796.db2.gz TXSUGTIZXZSNQU-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CCN(C(=O)c1sc2nccn2c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390707 607792271 /nfs/dbraw/zinc/79/22/71/607792271.db2.gz KXAGHFSNJMWTJG-LLVKDONJSA-N -1 3 381.465 3.108 20 0 GGADHM CCN(C(=O)c1sc2nccn2c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390707 607792272 /nfs/dbraw/zinc/79/22/72/607792272.db2.gz KXAGHFSNJMWTJG-LLVKDONJSA-N -1 3 381.465 3.108 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2c(c1)ncn2C ZINC000824255824 607793410 /nfs/dbraw/zinc/79/34/10/607793410.db2.gz ZNLHTFQPDUBNLG-UHFFFAOYSA-N -1 3 389.463 3.052 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2c(c1)ncn2C ZINC000824255824 607793411 /nfs/dbraw/zinc/79/34/11/607793411.db2.gz ZNLHTFQPDUBNLG-UHFFFAOYSA-N -1 3 389.463 3.052 20 0 GGADHM CCN(C(=O)Cc1nc(-c2ccco2)oc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376440 607799998 /nfs/dbraw/zinc/79/99/98/607799998.db2.gz GZOLZABZEBFENE-UHFFFAOYSA-N -1 3 378.392 3.019 20 0 GGADHM CCN(C(=O)Cc1nc(-c2ccco2)oc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376440 607799999 /nfs/dbraw/zinc/79/99/99/607799999.db2.gz GZOLZABZEBFENE-UHFFFAOYSA-N -1 3 378.392 3.019 20 0 GGADHM CCN(C(=O)Cc1ccc(OCC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377101 607800240 /nfs/dbraw/zinc/80/02/40/607800240.db2.gz SWMNQMCJDJDAHL-UHFFFAOYSA-N -1 3 379.464 3.497 20 0 GGADHM CCN(C(=O)Cc1ccc(OCC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377101 607800241 /nfs/dbraw/zinc/80/02/41/607800241.db2.gz SWMNQMCJDJDAHL-UHFFFAOYSA-N -1 3 379.464 3.497 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826278093 607803130 /nfs/dbraw/zinc/80/31/30/607803130.db2.gz QZYGJAWXSZHOOB-BEFAXECRSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826278093 607803131 /nfs/dbraw/zinc/80/31/31/607803131.db2.gz QZYGJAWXSZHOOB-BEFAXECRSA-N -1 3 392.463 3.465 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826451948 607803397 /nfs/dbraw/zinc/80/33/97/607803397.db2.gz CEQAJAMFSWLBSO-KSSFIOAISA-N -1 3 378.436 3.156 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826451948 607803398 /nfs/dbraw/zinc/80/33/98/607803398.db2.gz CEQAJAMFSWLBSO-KSSFIOAISA-N -1 3 378.436 3.156 20 0 GGADHM Cc1c(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241467 607804194 /nfs/dbraw/zinc/80/41/94/607804194.db2.gz FBLHEWOVJRBCJX-BEFAXECRSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1c(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241467 607804195 /nfs/dbraw/zinc/80/41/95/607804195.db2.gz FBLHEWOVJRBCJX-BEFAXECRSA-N -1 3 392.463 3.465 20 0 GGADHM CC1(CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCCCC1 ZINC000824816920 607806555 /nfs/dbraw/zinc/80/65/55/607806555.db2.gz JNHMGKJBMXXUOY-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM CC1(CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCCCC1 ZINC000824816920 607806556 /nfs/dbraw/zinc/80/65/56/607806556.db2.gz JNHMGKJBMXXUOY-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C(C)C ZINC000824009615 607806844 /nfs/dbraw/zinc/80/68/44/607806844.db2.gz BFSDZAPBIDVEQS-UHFFFAOYSA-N -1 3 392.463 3.248 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C(C)C ZINC000824009615 607806845 /nfs/dbraw/zinc/80/68/45/607806845.db2.gz BFSDZAPBIDVEQS-UHFFFAOYSA-N -1 3 392.463 3.248 20 0 GGADHM Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826396042 607813531 /nfs/dbraw/zinc/81/35/31/607813531.db2.gz DRDQURVGNIGVCP-UHFFFAOYSA-N -1 3 395.275 3.487 20 0 GGADHM Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826396042 607813532 /nfs/dbraw/zinc/81/35/32/607813532.db2.gz DRDQURVGNIGVCP-UHFFFAOYSA-N -1 3 395.275 3.487 20 0 GGADHM Cc1cc(N[C@H]2CCOC(C)(C)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271528 607822045 /nfs/dbraw/zinc/82/20/45/607822045.db2.gz VWBWHNGKJLFKFG-ZDUSSCGKSA-N -1 3 377.452 3.346 20 0 GGADHM Cc1cc(N[C@H]2CCOC(C)(C)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271528 607822046 /nfs/dbraw/zinc/82/20/46/607822046.db2.gz VWBWHNGKJLFKFG-ZDUSSCGKSA-N -1 3 377.452 3.346 20 0 GGADHM C[C@H](OC(=O)CCCSC(C)(C)C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713971 607826122 /nfs/dbraw/zinc/82/61/22/607826122.db2.gz LQSNFJURJLSYNM-LBPRGKRZSA-N -1 3 391.497 3.049 20 0 GGADHM C[C@H](OC(=O)CCCSC(C)(C)C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713971 607826123 /nfs/dbraw/zinc/82/61/23/607826123.db2.gz LQSNFJURJLSYNM-LBPRGKRZSA-N -1 3 391.497 3.049 20 0 GGADHM C[C@H](Cc1ccccc1Cl)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824457486 607827129 /nfs/dbraw/zinc/82/71/29/607827129.db2.gz NSQOQXRLBITHPV-GFCCVEGCSA-N -1 3 384.823 3.125 20 0 GGADHM C[C@H](Cc1ccccc1Cl)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824457486 607827130 /nfs/dbraw/zinc/82/71/30/607827130.db2.gz NSQOQXRLBITHPV-GFCCVEGCSA-N -1 3 384.823 3.125 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000825012357 607830273 /nfs/dbraw/zinc/83/02/73/607830273.db2.gz HTBVIEXRXSUUJY-KBPBESRZSA-N -1 3 395.488 3.409 20 0 GGADHM CC(C)N(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824490939 607834078 /nfs/dbraw/zinc/83/40/78/607834078.db2.gz ROFZNIPDBVDFMF-ZDUSSCGKSA-N -1 3 385.497 3.047 20 0 GGADHM CC(C)N(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824490939 607834079 /nfs/dbraw/zinc/83/40/79/607834079.db2.gz ROFZNIPDBVDFMF-ZDUSSCGKSA-N -1 3 385.497 3.047 20 0 GGADHM O=C(NCCOCc1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826438768 607835514 /nfs/dbraw/zinc/83/55/14/607835514.db2.gz PWYIPJWLHZRFNI-UHFFFAOYSA-N -1 3 392.246 3.120 20 0 GGADHM O=C(NCCOCc1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826438768 607835515 /nfs/dbraw/zinc/83/55/15/607835515.db2.gz PWYIPJWLHZRFNI-UHFFFAOYSA-N -1 3 392.246 3.120 20 0 GGADHM O=C1CCCCCN1CCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000826479768 607839254 /nfs/dbraw/zinc/83/92/54/607839254.db2.gz HWNJWGHRAPIIPL-UHFFFAOYSA-N -1 3 382.390 3.090 20 0 GGADHM O=C1CCCCCN1CCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000826479768 607839255 /nfs/dbraw/zinc/83/92/55/607839255.db2.gz HWNJWGHRAPIIPL-UHFFFAOYSA-N -1 3 382.390 3.090 20 0 GGADHM CCOC(=O)[C@@]1(CCSc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1=O ZINC000825494538 607845702 /nfs/dbraw/zinc/84/57/02/607845702.db2.gz XZQGCBHEWSGSKS-QGZVFWFLSA-N -1 3 394.884 3.305 20 0 GGADHM CCOC(=O)[C@@]1(CCSc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1=O ZINC000825494538 607845703 /nfs/dbraw/zinc/84/57/03/607845703.db2.gz XZQGCBHEWSGSKS-QGZVFWFLSA-N -1 3 394.884 3.305 20 0 GGADHM O=c1ccc(C(F)(F)F)nn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826502148 607846762 /nfs/dbraw/zinc/84/67/62/607846762.db2.gz WEKCGYQLGCXOAC-UHFFFAOYSA-N -1 3 398.348 3.158 20 0 GGADHM O=c1ccc(C(F)(F)F)nn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826502148 607846763 /nfs/dbraw/zinc/84/67/63/607846763.db2.gz WEKCGYQLGCXOAC-UHFFFAOYSA-N -1 3 398.348 3.158 20 0 GGADHM COc1ccc(-n2ccn(CN(C)c3ccc(-c4nn[n-]n4)cc3)c2=S)cc1 ZINC000826187050 607847165 /nfs/dbraw/zinc/84/71/65/607847165.db2.gz XFBSFEJWGONHEQ-UHFFFAOYSA-N -1 3 393.476 3.291 20 0 GGADHM CN(Cn1nc2sc3ccccc3n2c1=S)c1ccccc1-c1nnn[n-]1 ZINC000826004247 607847642 /nfs/dbraw/zinc/84/76/42/607847642.db2.gz PMFMJYCVGHOEHM-UHFFFAOYSA-N -1 3 394.489 3.354 20 0 GGADHM CN(Cn1nc2sc3ccccc3n2c1=S)c1ccccc1-c1nn[n-]n1 ZINC000826004247 607847643 /nfs/dbraw/zinc/84/76/43/607847643.db2.gz PMFMJYCVGHOEHM-UHFFFAOYSA-N -1 3 394.489 3.354 20 0 GGADHM CN(CN1C(=O)C(C)(C)[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825950981 607848180 /nfs/dbraw/zinc/84/81/80/607848180.db2.gz YSVVKXJBMMQWMW-KRWDZBQOSA-N -1 3 380.427 3.009 20 0 GGADHM C[C@@H]1C(=O)N(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000824860897 607848705 /nfs/dbraw/zinc/84/87/05/607848705.db2.gz ZATRQHGBHXXBTG-SJCJKPOMSA-N -1 3 382.855 3.133 20 0 GGADHM C[C@@H]1C(=O)N(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000824860897 607848706 /nfs/dbraw/zinc/84/87/06/607848706.db2.gz ZATRQHGBHXXBTG-SJCJKPOMSA-N -1 3 382.855 3.133 20 0 GGADHM Fc1cccc(CN(C[C@@H]2CCCO2)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826376928 607849709 /nfs/dbraw/zinc/84/97/09/607849709.db2.gz YKPJGNYIWKPREP-HNNXBMFYSA-N -1 3 388.834 3.240 20 0 GGADHM Fc1cccc(CN(C[C@@H]2CCCO2)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826376928 607849710 /nfs/dbraw/zinc/84/97/10/607849710.db2.gz YKPJGNYIWKPREP-HNNXBMFYSA-N -1 3 388.834 3.240 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000826368322 607849981 /nfs/dbraw/zinc/84/99/81/607849981.db2.gz LPIZCHSDUKXXBQ-WQAKAFBOSA-N -1 3 380.374 3.040 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000826368322 607849982 /nfs/dbraw/zinc/84/99/82/607849982.db2.gz LPIZCHSDUKXXBQ-WQAKAFBOSA-N -1 3 380.374 3.040 20 0 GGADHM CCc1nn(C)c(CC)c1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000825759970 607850454 /nfs/dbraw/zinc/85/04/54/607850454.db2.gz RDGNGNOILADTQS-UHFFFAOYSA-N -1 3 398.421 3.164 20 0 GGADHM CCc1nn(C)c(CC)c1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000825759970 607850455 /nfs/dbraw/zinc/85/04/55/607850455.db2.gz RDGNGNOILADTQS-UHFFFAOYSA-N -1 3 398.421 3.164 20 0 GGADHM Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(Br)c1 ZINC000826281901 607854526 /nfs/dbraw/zinc/85/45/26/607854526.db2.gz OWNJLLKWIVWLCK-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(Br)c1 ZINC000826281901 607854527 /nfs/dbraw/zinc/85/45/27/607854527.db2.gz OWNJLLKWIVWLCK-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccncc1 ZINC000824385102 607856262 /nfs/dbraw/zinc/85/62/62/607856262.db2.gz LSVIFNWCUCZYKU-LLVKDONJSA-N -1 3 389.362 3.100 20 0 GGADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccncc1 ZINC000824385102 607856263 /nfs/dbraw/zinc/85/62/63/607856263.db2.gz LSVIFNWCUCZYKU-LLVKDONJSA-N -1 3 389.362 3.100 20 0 GGADHM CC(C)Oc1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)n1 ZINC000824333191 607861010 /nfs/dbraw/zinc/86/10/10/607861010.db2.gz GCSZZXKHDOAZSV-UHFFFAOYSA-N -1 3 384.465 3.242 20 0 GGADHM CC(C)Oc1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)n1 ZINC000824333191 607861011 /nfs/dbraw/zinc/86/10/11/607861011.db2.gz GCSZZXKHDOAZSV-UHFFFAOYSA-N -1 3 384.465 3.242 20 0 GGADHM O=C(COc1ccccc1SC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826419853 607867432 /nfs/dbraw/zinc/86/74/32/607867432.db2.gz OPUFNQYWWLMMQZ-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O=C(COc1ccccc1SC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826419853 607867433 /nfs/dbraw/zinc/86/74/33/607867433.db2.gz OPUFNQYWWLMMQZ-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505250 607870445 /nfs/dbraw/zinc/87/04/45/607870445.db2.gz QKJSFLTWLXSERU-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505250 607870446 /nfs/dbraw/zinc/87/04/46/607870446.db2.gz QKJSFLTWLXSERU-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COc1ccc2ccccc2c1)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826504771 607872894 /nfs/dbraw/zinc/87/28/94/607872894.db2.gz CYVWCVYITLBMAY-INIZCTEOSA-N -1 3 396.834 3.492 20 0 GGADHM O[C@@H](COc1ccc2ccccc2c1)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826504771 607872895 /nfs/dbraw/zinc/87/28/95/607872895.db2.gz CYVWCVYITLBMAY-INIZCTEOSA-N -1 3 396.834 3.492 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000826255232 607875806 /nfs/dbraw/zinc/87/58/06/607875806.db2.gz PXZYZXVNIQIUGC-AWEZNQCLSA-N -1 3 394.353 3.013 20 0 GGADHM CC(=O)c1ccc(Cl)c(Cl)c1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824024445 607876214 /nfs/dbraw/zinc/87/62/14/607876214.db2.gz FHSCWWXYNCHNBV-AWEZNQCLSA-N -1 3 393.230 3.489 20 0 GGADHM CC(=O)c1ccc(Cl)c(Cl)c1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824024445 607876215 /nfs/dbraw/zinc/87/62/15/607876215.db2.gz FHSCWWXYNCHNBV-AWEZNQCLSA-N -1 3 393.230 3.489 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000826255224 607876597 /nfs/dbraw/zinc/87/65/97/607876597.db2.gz PSULVTSFQVRVKW-FXAWDEMLSA-N -1 3 380.448 3.009 20 0 GGADHM CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385998 607878968 /nfs/dbraw/zinc/87/89/68/607878968.db2.gz XWHGHXPIYFEXGO-UHFFFAOYSA-N -1 3 384.827 3.145 20 0 GGADHM CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385998 607878969 /nfs/dbraw/zinc/87/89/69/607878969.db2.gz XWHGHXPIYFEXGO-UHFFFAOYSA-N -1 3 384.827 3.145 20 0 GGADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000825834193 607879804 /nfs/dbraw/zinc/87/98/04/607879804.db2.gz RCNQFKKQMNGJHV-UHFFFAOYSA-N -1 3 388.840 3.082 20 0 GGADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000825834193 607879805 /nfs/dbraw/zinc/87/98/05/607879805.db2.gz RCNQFKKQMNGJHV-UHFFFAOYSA-N -1 3 388.840 3.082 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(Br)n1 ZINC000826282441 607881300 /nfs/dbraw/zinc/88/13/00/607881300.db2.gz OVBAZIMREOUKNX-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(Br)n1 ZINC000826282441 607881301 /nfs/dbraw/zinc/88/13/01/607881301.db2.gz OVBAZIMREOUKNX-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000825319023 607881770 /nfs/dbraw/zinc/88/17/70/607881770.db2.gz VUNQNXQBRPYDSM-MRXNPFEDSA-N -1 3 398.492 3.227 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000825319023 607881771 /nfs/dbraw/zinc/88/17/71/607881771.db2.gz VUNQNXQBRPYDSM-MRXNPFEDSA-N -1 3 398.492 3.227 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCOCC1 ZINC000824045930 607881833 /nfs/dbraw/zinc/88/18/33/607881833.db2.gz PKUBFFBAECLJCZ-CYBMUJFWSA-N -1 3 394.435 3.055 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCOCC1 ZINC000824045930 607881834 /nfs/dbraw/zinc/88/18/34/607881834.db2.gz PKUBFFBAECLJCZ-CYBMUJFWSA-N -1 3 394.435 3.055 20 0 GGADHM CCn1c2ccccc2nc1SCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825796542 607891023 /nfs/dbraw/zinc/89/10/23/607891023.db2.gz GYLYOOCBSNEHBS-UHFFFAOYSA-N -1 3 394.460 3.315 20 0 GGADHM CCn1c2ccccc2nc1SCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825796542 607891024 /nfs/dbraw/zinc/89/10/24/607891024.db2.gz GYLYOOCBSNEHBS-UHFFFAOYSA-N -1 3 394.460 3.315 20 0 GGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc([S@@](C)=O)cc1 ZINC000824650915 607902737 /nfs/dbraw/zinc/90/27/37/607902737.db2.gz WANGODPVOXFEAM-KHXSAUHESA-N -1 3 378.461 3.325 20 0 GGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc([S@@](C)=O)cc1 ZINC000824650915 607902738 /nfs/dbraw/zinc/90/27/38/607902738.db2.gz WANGODPVOXFEAM-KHXSAUHESA-N -1 3 378.461 3.325 20 0 GGADHM CC(=O)c1ccc2c(c1)CCN(c1nc3ccccc3cc1-c1nnn[n-]1)CC2 ZINC000824029055 607903587 /nfs/dbraw/zinc/90/35/87/607903587.db2.gz BEDVKBFXLNOFHQ-UHFFFAOYSA-N -1 3 384.443 3.223 20 0 GGADHM CC(=O)c1ccc2c(c1)CCN(c1nc3ccccc3cc1-c1nn[n-]n1)CC2 ZINC000824029055 607903588 /nfs/dbraw/zinc/90/35/88/607903588.db2.gz BEDVKBFXLNOFHQ-UHFFFAOYSA-N -1 3 384.443 3.223 20 0 GGADHM CC(C)CS(=O)(=O)Oc1ccccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000824276093 607905897 /nfs/dbraw/zinc/90/58/97/607905897.db2.gz ZXTPKMYQQHBYSZ-UHFFFAOYSA-N -1 3 392.412 3.163 20 0 GGADHM CC(C)CS(=O)(=O)Oc1ccccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000824276093 607905898 /nfs/dbraw/zinc/90/58/98/607905898.db2.gz ZXTPKMYQQHBYSZ-UHFFFAOYSA-N -1 3 392.412 3.163 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)cc(Cl)c1 ZINC000826493540 607906632 /nfs/dbraw/zinc/90/66/32/607906632.db2.gz PXFANODVQZQKTR-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)cc(Cl)c1 ZINC000826493540 607906633 /nfs/dbraw/zinc/90/66/33/607906633.db2.gz PXFANODVQZQKTR-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCSCC(C)C ZINC000825318992 607913264 /nfs/dbraw/zinc/91/32/64/607913264.db2.gz VODUPBGZFBRSCB-UHFFFAOYSA-N -1 3 376.530 3.178 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCSCC(C)C ZINC000825318992 607913265 /nfs/dbraw/zinc/91/32/65/607913265.db2.gz VODUPBGZFBRSCB-UHFFFAOYSA-N -1 3 376.530 3.178 20 0 GGADHM Cc1sc2nc3n(c(=O)c2c1C)CCC3=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826350352 607915905 /nfs/dbraw/zinc/91/59/05/607915905.db2.gz RZAGDNLHTCFQGX-GHXNOFRVSA-N -1 3 394.435 3.338 20 0 GGADHM Cc1sc2nc3n(c(=O)c2c1C)CCC3=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826350352 607915906 /nfs/dbraw/zinc/91/59/06/607915906.db2.gz RZAGDNLHTCFQGX-GHXNOFRVSA-N -1 3 394.435 3.338 20 0 GGADHM C[C@@](O)(CC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824670176 607917080 /nfs/dbraw/zinc/91/70/80/607917080.db2.gz LOYLAEMEGSCTIK-OAQYLSRUSA-N -1 3 378.432 3.128 20 0 GGADHM C[C@@](O)(CC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824670176 607917081 /nfs/dbraw/zinc/91/70/81/607917081.db2.gz LOYLAEMEGSCTIK-OAQYLSRUSA-N -1 3 378.432 3.128 20 0 GGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824459087 607917209 /nfs/dbraw/zinc/91/72/09/607917209.db2.gz ZVFNBGFUJOFWBO-LBPRGKRZSA-N -1 3 384.823 3.125 20 0 GGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824459087 607917210 /nfs/dbraw/zinc/91/72/10/607917210.db2.gz ZVFNBGFUJOFWBO-LBPRGKRZSA-N -1 3 384.823 3.125 20 0 GGADHM CC1(C)CCC[C@H](CC(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000824803923 607919664 /nfs/dbraw/zinc/91/96/64/607919664.db2.gz YYUFEJQMJWVASO-LLVKDONJSA-N -1 3 377.470 3.016 20 0 GGADHM CC1(C)CCC[C@H](CC(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000824803923 607919665 /nfs/dbraw/zinc/91/96/65/607919665.db2.gz YYUFEJQMJWVASO-LLVKDONJSA-N -1 3 377.470 3.016 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(=O)OC(C)(C)C ZINC000825680128 607919763 /nfs/dbraw/zinc/91/97/63/607919763.db2.gz SOLCZRNCYVPCIX-NHYWBVRUSA-N -1 3 388.472 3.053 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(=O)OC(C)(C)C ZINC000825680128 607919764 /nfs/dbraw/zinc/91/97/64/607919764.db2.gz SOLCZRNCYVPCIX-NHYWBVRUSA-N -1 3 388.472 3.053 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)C1CCOCC1 ZINC000824966881 607920554 /nfs/dbraw/zinc/92/05/54/607920554.db2.gz GEQHTAFAEGRDJR-GHMZBOCLSA-N -1 3 375.498 3.054 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)C1CCOCC1 ZINC000824966881 607920555 /nfs/dbraw/zinc/92/05/55/607920555.db2.gz GEQHTAFAEGRDJR-GHMZBOCLSA-N -1 3 375.498 3.054 20 0 GGADHM CCc1c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cnn1CC(C)C ZINC000825687587 607920746 /nfs/dbraw/zinc/92/07/46/607920746.db2.gz JSHWWUPPUKQQEJ-UHFFFAOYSA-N -1 3 399.524 3.474 20 0 GGADHM CCc1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cnn1CC(C)C ZINC000825687587 607920747 /nfs/dbraw/zinc/92/07/47/607920747.db2.gz JSHWWUPPUKQQEJ-UHFFFAOYSA-N -1 3 399.524 3.474 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1csc([C@H]2CCCO2)n1 ZINC000826452100 607922253 /nfs/dbraw/zinc/92/22/53/607922253.db2.gz HSAGZJSKVWXOPD-GFCCVEGCSA-N -1 3 376.829 3.080 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1csc([C@H]2CCCO2)n1 ZINC000826452100 607922254 /nfs/dbraw/zinc/92/22/54/607922254.db2.gz HSAGZJSKVWXOPD-GFCCVEGCSA-N -1 3 376.829 3.080 20 0 GGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824457809 607924807 /nfs/dbraw/zinc/92/48/07/607924807.db2.gz SHRZOPJLJAEBHE-SNVBAGLBSA-N -1 3 378.841 3.135 20 0 GGADHM O=C(CN(Cc1ccccc1)c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826409767 607932035 /nfs/dbraw/zinc/93/20/35/607932035.db2.gz OBUMPSJFBFZLTA-UHFFFAOYSA-N -1 3 398.470 3.190 20 0 GGADHM O=C(CN(Cc1ccccc1)c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826409767 607932036 /nfs/dbraw/zinc/93/20/36/607932036.db2.gz OBUMPSJFBFZLTA-UHFFFAOYSA-N -1 3 398.470 3.190 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826278863 607936858 /nfs/dbraw/zinc/93/68/58/607936858.db2.gz WGMIASFVXSJJBF-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826278863 607936859 /nfs/dbraw/zinc/93/68/59/607936859.db2.gz WGMIASFVXSJJBF-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826505866 607936867 /nfs/dbraw/zinc/93/68/67/607936867.db2.gz HHLHYPDMYPWRAF-CJNGLKHVSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826505866 607936868 /nfs/dbraw/zinc/93/68/68/607936868.db2.gz HHLHYPDMYPWRAF-CJNGLKHVSA-N -1 3 393.344 3.337 20 0 GGADHM Fc1ccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c(Cl)c1 ZINC000826375482 607937386 /nfs/dbraw/zinc/93/73/86/607937386.db2.gz PHXUERWUYDLKHY-UHFFFAOYSA-N -1 3 394.241 3.034 20 0 GGADHM Fc1ccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c(Cl)c1 ZINC000826375482 607937387 /nfs/dbraw/zinc/93/73/87/607937387.db2.gz PHXUERWUYDLKHY-UHFFFAOYSA-N -1 3 394.241 3.034 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000826255184 607941698 /nfs/dbraw/zinc/94/16/98/607941698.db2.gz OTRKTAQMGCWPPZ-QZTJIDSGSA-N -1 3 393.447 3.001 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000826255184 607941699 /nfs/dbraw/zinc/94/16/99/607941699.db2.gz OTRKTAQMGCWPPZ-QZTJIDSGSA-N -1 3 393.447 3.001 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CC=C(C(F)(F)F)CC1 ZINC000826369896 607942296 /nfs/dbraw/zinc/94/22/96/607942296.db2.gz VCUKNZBVTRKDJA-UHFFFAOYSA-N -1 3 375.301 3.163 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CC=C(C(F)(F)F)CC1 ZINC000826369896 607942297 /nfs/dbraw/zinc/94/22/97/607942297.db2.gz VCUKNZBVTRKDJA-UHFFFAOYSA-N -1 3 375.301 3.163 20 0 GGADHM CCc1c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825686982 607945214 /nfs/dbraw/zinc/94/52/14/607945214.db2.gz CTWYYOWHQBPECY-UHFFFAOYSA-N -1 3 385.497 3.012 20 0 GGADHM CCc1c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825686982 607945215 /nfs/dbraw/zinc/94/52/15/607945215.db2.gz CTWYYOWHQBPECY-UHFFFAOYSA-N -1 3 385.497 3.012 20 0 GGADHM O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469683 607949005 /nfs/dbraw/zinc/94/90/05/607949005.db2.gz OIQUPKGANNDRJQ-UHFFFAOYSA-N -1 3 392.806 3.378 20 0 GGADHM O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469683 607949006 /nfs/dbraw/zinc/94/90/06/607949006.db2.gz OIQUPKGANNDRJQ-UHFFFAOYSA-N -1 3 392.806 3.378 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826349360 607951132 /nfs/dbraw/zinc/95/11/32/607951132.db2.gz FRKPQCDQHFUVLA-UHFFFAOYSA-N -1 3 378.417 3.095 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826349360 607951133 /nfs/dbraw/zinc/95/11/33/607951133.db2.gz FRKPQCDQHFUVLA-UHFFFAOYSA-N -1 3 378.417 3.095 20 0 GGADHM O=C(c1ncoc1-c1ccccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826475354 607951456 /nfs/dbraw/zinc/95/14/56/607951456.db2.gz CPDOQSNKTFGZNO-UHFFFAOYSA-N -1 3 392.806 3.378 20 0 GGADHM O=C(c1ncoc1-c1ccccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826475354 607951457 /nfs/dbraw/zinc/95/14/57/607951457.db2.gz CPDOQSNKTFGZNO-UHFFFAOYSA-N -1 3 392.806 3.378 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826256371 607953429 /nfs/dbraw/zinc/95/34/29/607953429.db2.gz GELAKLWLBITTIJ-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826256371 607953430 /nfs/dbraw/zinc/95/34/30/607953430.db2.gz GELAKLWLBITTIJ-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826283660 607954098 /nfs/dbraw/zinc/95/40/98/607954098.db2.gz XCEMVCHLUAAMEF-UHFFFAOYSA-N -1 3 377.448 3.267 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826283660 607954099 /nfs/dbraw/zinc/95/40/99/607954099.db2.gz XCEMVCHLUAAMEF-UHFFFAOYSA-N -1 3 377.448 3.267 20 0 GGADHM CCOC(=O)CN(Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)c1ccccc1 ZINC000825517967 607957441 /nfs/dbraw/zinc/95/74/41/607957441.db2.gz QTENVKXFJNLJJY-CQSZACIVSA-N -1 3 383.427 3.132 20 0 GGADHM CCOC(=O)CN(Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000825517967 607957442 /nfs/dbraw/zinc/95/74/42/607957442.db2.gz QTENVKXFJNLJJY-CQSZACIVSA-N -1 3 383.427 3.132 20 0 GGADHM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824165925 607959300 /nfs/dbraw/zinc/95/93/00/607959300.db2.gz CVCFAFCNMBMAEC-UHFFFAOYSA-N -1 3 386.253 3.294 20 0 GGADHM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000824165925 607959301 /nfs/dbraw/zinc/95/93/01/607959301.db2.gz CVCFAFCNMBMAEC-UHFFFAOYSA-N -1 3 386.253 3.294 20 0 GGADHM CCC(=O)c1cc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)ccc1F ZINC000825034140 607960790 /nfs/dbraw/zinc/96/07/90/607960790.db2.gz DSWQWAHRLLSGTG-UHFFFAOYSA-N -1 3 393.378 3.208 20 0 GGADHM CCC(=O)c1cc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)ccc1F ZINC000825034140 607960791 /nfs/dbraw/zinc/96/07/91/607960791.db2.gz DSWQWAHRLLSGTG-UHFFFAOYSA-N -1 3 393.378 3.208 20 0 GGADHM Cc1ccc(N2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1C ZINC000826290644 607968900 /nfs/dbraw/zinc/96/89/00/607968900.db2.gz TURHMCHZNAZSSI-UHFFFAOYSA-N -1 3 393.520 3.003 20 0 GGADHM Cc1ccc(N2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1C ZINC000826290644 607968901 /nfs/dbraw/zinc/96/89/01/607968901.db2.gz TURHMCHZNAZSSI-UHFFFAOYSA-N -1 3 393.520 3.003 20 0 GGADHM Cc1ncc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(Cl)c1Cl ZINC000826329890 607976605 /nfs/dbraw/zinc/97/66/05/607976605.db2.gz WLZQMTFMVHVUBR-UHFFFAOYSA-N -1 3 382.182 3.373 20 0 GGADHM Cc1ncc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(Cl)c1Cl ZINC000826329890 607976606 /nfs/dbraw/zinc/97/66/06/607976606.db2.gz WLZQMTFMVHVUBR-UHFFFAOYSA-N -1 3 382.182 3.373 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000826192038 607977268 /nfs/dbraw/zinc/97/72/68/607977268.db2.gz XTICRRUJWUZVQT-AWEZNQCLSA-N -1 3 391.431 3.050 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000826192038 607977269 /nfs/dbraw/zinc/97/72/69/607977269.db2.gz XTICRRUJWUZVQT-AWEZNQCLSA-N -1 3 391.431 3.050 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000826175211 607981830 /nfs/dbraw/zinc/98/18/30/607981830.db2.gz WWPLLOCGKUMCNI-ZDUSSCGKSA-N -1 3 381.219 3.295 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000826175211 607981831 /nfs/dbraw/zinc/98/18/31/607981831.db2.gz WWPLLOCGKUMCNI-ZDUSSCGKSA-N -1 3 381.219 3.295 20 0 GGADHM COc1ccc(CSCC(=O)N(C(C)C)C2CCCC2)cc1-c1nnn[n-]1 ZINC000826207404 607984250 /nfs/dbraw/zinc/98/42/50/607984250.db2.gz MZBHUXAVMKWFRB-UHFFFAOYSA-N -1 3 389.525 3.288 20 0 GGADHM COc1ccc(CSCC(=O)N(C(C)C)C2CCCC2)cc1-c1nn[n-]n1 ZINC000826207404 607984251 /nfs/dbraw/zinc/98/42/51/607984251.db2.gz MZBHUXAVMKWFRB-UHFFFAOYSA-N -1 3 389.525 3.288 20 0 GGADHM COc1ccc(CSCC(=O)Nc2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC000826207417 607984402 /nfs/dbraw/zinc/98/44/02/607984402.db2.gz NIIBVBDVGHSKJJ-UHFFFAOYSA-N -1 3 391.403 3.025 20 0 GGADHM COc1ccc(CSCC(=O)Nc2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000826207417 607984403 /nfs/dbraw/zinc/98/44/03/607984403.db2.gz NIIBVBDVGHSKJJ-UHFFFAOYSA-N -1 3 391.403 3.025 20 0 GGADHM COc1ccc(CSCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1-c1nnn[n-]1 ZINC000826207507 607984462 /nfs/dbraw/zinc/98/44/62/607984462.db2.gz QQVBZJFGQHOZOI-UHFFFAOYSA-N -1 3 399.476 3.139 20 0 GGADHM COc1ccc(CSCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1-c1nn[n-]n1 ZINC000826207507 607984463 /nfs/dbraw/zinc/98/44/63/607984463.db2.gz QQVBZJFGQHOZOI-UHFFFAOYSA-N -1 3 399.476 3.139 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826407814 607986625 /nfs/dbraw/zinc/98/66/25/607986625.db2.gz BWLBYHATMXUXRD-UHFFFAOYSA-N -1 3 391.200 3.307 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826407814 607986626 /nfs/dbraw/zinc/98/66/26/607986626.db2.gz BWLBYHATMXUXRD-UHFFFAOYSA-N -1 3 391.200 3.307 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000825319062 607996035 /nfs/dbraw/zinc/99/60/35/607996035.db2.gz WLFRKIYUQHKUCK-IBGZPJMESA-N -1 3 391.479 3.335 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000825319062 607996036 /nfs/dbraw/zinc/99/60/36/607996036.db2.gz WLFRKIYUQHKUCK-IBGZPJMESA-N -1 3 391.479 3.335 20 0 GGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825076836 608001462 /nfs/dbraw/zinc/00/14/62/608001462.db2.gz XQWOJAZYGXYDAJ-LBPRGKRZSA-N -1 3 390.440 3.428 20 0 GGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825076836 608001463 /nfs/dbraw/zinc/00/14/63/608001463.db2.gz XQWOJAZYGXYDAJ-LBPRGKRZSA-N -1 3 390.440 3.428 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1-c1nnn[n-]1 ZINC000824329075 608007380 /nfs/dbraw/zinc/00/73/80/608007380.db2.gz HJLLRWSFYFORCI-GOSISDBHSA-N -1 3 393.451 3.322 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1-c1nn[n-]n1 ZINC000824329075 608007381 /nfs/dbraw/zinc/00/73/81/608007381.db2.gz HJLLRWSFYFORCI-GOSISDBHSA-N -1 3 393.451 3.322 20 0 GGADHM Cc1cc([C@@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)ccc1F ZINC000826262608 608009835 /nfs/dbraw/zinc/00/98/35/608009835.db2.gz TUWPZVGHDNYFFX-HNNXBMFYSA-N -1 3 386.818 3.244 20 0 GGADHM Cc1cc([C@@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)ccc1F ZINC000826262608 608009836 /nfs/dbraw/zinc/00/98/36/608009836.db2.gz TUWPZVGHDNYFFX-HNNXBMFYSA-N -1 3 386.818 3.244 20 0 GGADHM CCOCCCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825590279 608012162 /nfs/dbraw/zinc/01/21/62/608012162.db2.gz SEIUSBHZVADZAG-UHFFFAOYSA-N -1 3 387.484 3.258 20 0 GGADHM C[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1nc(-c2ccccc2)no1 ZINC000824436251 608016926 /nfs/dbraw/zinc/01/69/26/608016926.db2.gz RDGCCZASFVWLMK-LBPRGKRZSA-N -1 3 388.435 3.016 20 0 GGADHM C[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1nc(-c2ccccc2)no1 ZINC000824436251 608016927 /nfs/dbraw/zinc/01/69/27/608016927.db2.gz RDGCCZASFVWLMK-LBPRGKRZSA-N -1 3 388.435 3.016 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc[nH]1 ZINC000824499038 608023312 /nfs/dbraw/zinc/02/33/12/608023312.db2.gz MVCSJRJYBUXCON-GFCCVEGCSA-N -1 3 393.476 3.484 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826212835 608024371 /nfs/dbraw/zinc/02/43/71/608024371.db2.gz CJUOUWFVNJCQGU-NSHDSACASA-N -1 3 385.449 3.058 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826212835 608024372 /nfs/dbraw/zinc/02/43/72/608024372.db2.gz CJUOUWFVNJCQGU-NSHDSACASA-N -1 3 385.449 3.058 20 0 GGADHM CCN(C(=O)c1cnc([C@@H]2CCCO2)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386164 608025075 /nfs/dbraw/zinc/02/50/75/608025075.db2.gz ZQDBRNYPDJZWNQ-DOMZBBRYSA-N -1 3 398.492 3.398 20 0 GGADHM CCN(C(=O)c1cnc([C@@H]2CCCO2)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386164 608025076 /nfs/dbraw/zinc/02/50/76/608025076.db2.gz ZQDBRNYPDJZWNQ-DOMZBBRYSA-N -1 3 398.492 3.398 20 0 GGADHM C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccc[nH]1 ZINC000824522416 608026063 /nfs/dbraw/zinc/02/60/63/608026063.db2.gz SJDFBMAXYKDEHZ-CQSZACIVSA-N -1 3 388.431 3.265 20 0 GGADHM C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC000824522416 608026064 /nfs/dbraw/zinc/02/60/64/608026064.db2.gz SJDFBMAXYKDEHZ-CQSZACIVSA-N -1 3 388.431 3.265 20 0 GGADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826495478 608026807 /nfs/dbraw/zinc/02/68/07/608026807.db2.gz QJPMHYFSHANWKM-GOSISDBHSA-N -1 3 397.504 3.043 20 0 GGADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826495478 608026808 /nfs/dbraw/zinc/02/68/08/608026808.db2.gz QJPMHYFSHANWKM-GOSISDBHSA-N -1 3 397.504 3.043 20 0 GGADHM CCc1c(C)sc(NC(=O)C[C@H]2COc3cc(OC)ccc32)c1-c1nnn[n-]1 ZINC000825687873 608026908 /nfs/dbraw/zinc/02/69/08/608026908.db2.gz NAASTODMXIKBNJ-NSHDSACASA-N -1 3 399.476 3.312 20 0 GGADHM CCc1c(C)sc(NC(=O)C[C@H]2COc3cc(OC)ccc32)c1-c1nn[n-]n1 ZINC000825687873 608026909 /nfs/dbraw/zinc/02/69/09/608026909.db2.gz NAASTODMXIKBNJ-NSHDSACASA-N -1 3 399.476 3.312 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1C1CC1 ZINC000825081090 608029488 /nfs/dbraw/zinc/02/94/88/608029488.db2.gz FVQMJHKRQDAZEC-LBPRGKRZSA-N -1 3 377.452 3.115 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1C1CC1 ZINC000825081090 608029489 /nfs/dbraw/zinc/02/94/89/608029489.db2.gz FVQMJHKRQDAZEC-LBPRGKRZSA-N -1 3 377.452 3.115 20 0 GGADHM Cn1c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2nc1C(C)(C)C ZINC000826355416 608032164 /nfs/dbraw/zinc/03/21/64/608032164.db2.gz YNGJVMHGTLAQEU-UHFFFAOYSA-N -1 3 389.463 3.232 20 0 GGADHM Cn1c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2nc1C(C)(C)C ZINC000826355416 608032165 /nfs/dbraw/zinc/03/21/65/608032165.db2.gz YNGJVMHGTLAQEU-UHFFFAOYSA-N -1 3 389.463 3.232 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826422005 608032236 /nfs/dbraw/zinc/03/22/36/608032236.db2.gz JCPLEPJLMJBSMA-HXUWFJFHSA-N -1 3 375.476 3.423 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826422005 608032237 /nfs/dbraw/zinc/03/22/37/608032237.db2.gz JCPLEPJLMJBSMA-HXUWFJFHSA-N -1 3 375.476 3.423 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)OCCO2 ZINC000823826047 608047010 /nfs/dbraw/zinc/04/70/10/608047010.db2.gz BALXIHKIRJWLJL-UHFFFAOYSA-N -1 3 388.225 3.013 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCCN(c2ccccc2)CC1 ZINC000823826449 608047610 /nfs/dbraw/zinc/04/76/10/608047610.db2.gz JJXVFXLXYNPHEO-UHFFFAOYSA-N -1 3 399.296 3.346 20 0 GGADHM O=C(Nc1ccc(Cl)cc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826453514 608049769 /nfs/dbraw/zinc/04/97/69/608049769.db2.gz NKASFRMNUNKTFK-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM O=C(Nc1ccc(Cl)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826453514 608049770 /nfs/dbraw/zinc/04/97/70/608049770.db2.gz NKASFRMNUNKTFK-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000826339052 608050314 /nfs/dbraw/zinc/05/03/14/608050314.db2.gz POXCRBJUVFZIMS-MRVPVSSYSA-N -1 3 377.246 3.277 20 0 GGADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1Cl ZINC000826502874 608050413 /nfs/dbraw/zinc/05/04/13/608050413.db2.gz LUFYZMJDWNKLCG-AWEZNQCLSA-N -1 3 394.660 3.428 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC(C2CCOCC2)CC1 ZINC000823826330 608051050 /nfs/dbraw/zinc/05/10/50/608051050.db2.gz HQTMCPHPEDILPF-UHFFFAOYSA-N -1 3 392.301 3.272 20 0 GGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)[C@H](O)Cc1ccccc1 ZINC000824651210 608051133 /nfs/dbraw/zinc/05/11/33/608051133.db2.gz XOYFDIICQOQKRP-MEDUHNTESA-N -1 3 388.269 3.033 20 0 GGADHM O[C@@H]1CCCC[C@@H]1CCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826507186 608051685 /nfs/dbraw/zinc/05/16/85/608051685.db2.gz KCLKIQOKMWFDGT-IAQYHMDHSA-N -1 3 380.290 3.372 20 0 GGADHM Cc1noc(C)c1[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826339324 608051703 /nfs/dbraw/zinc/05/17/03/608051703.db2.gz ZTJOEQLUSBSTQS-MRVPVSSYSA-N -1 3 377.246 3.450 20 0 GGADHM Cc1cccc(S(=O)(=O)Nc2c(F)cc(Cl)c(C)c2F)c1-c1nnn[n-]1 ZINC000826304068 608054205 /nfs/dbraw/zinc/05/42/05/608054205.db2.gz UVNBFQSEIDODPV-UHFFFAOYSA-N -1 3 399.810 3.216 20 0 GGADHM Cc1cccc(S(=O)(=O)Nc2c(F)cc(Cl)c(C)c2F)c1-c1nn[n-]n1 ZINC000826304068 608054206 /nfs/dbraw/zinc/05/42/06/608054206.db2.gz UVNBFQSEIDODPV-UHFFFAOYSA-N -1 3 399.810 3.216 20 0 GGADHM CCn1cc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000825799059 608055355 /nfs/dbraw/zinc/05/53/55/608055355.db2.gz BHEUTNAALUMRII-UHFFFAOYSA-N -1 3 375.436 3.274 20 0 GGADHM CCn1cc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000825799059 608055356 /nfs/dbraw/zinc/05/53/56/608055356.db2.gz BHEUTNAALUMRII-UHFFFAOYSA-N -1 3 375.436 3.274 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000826184273 608058304 /nfs/dbraw/zinc/05/83/04/608058304.db2.gz QXSFSTLZLLTISY-UHFFFAOYSA-N -1 3 394.218 3.121 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000826184273 608058305 /nfs/dbraw/zinc/05/83/05/608058305.db2.gz QXSFSTLZLLTISY-UHFFFAOYSA-N -1 3 394.218 3.121 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)C(CC)CC)c(-c2nnn[n-]2)c1C ZINC000825577040 608059109 /nfs/dbraw/zinc/05/91/09/608059109.db2.gz RUHHDTMGUXUFMA-VIFPVBQESA-N -1 3 379.486 3.424 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)C(CC)CC)c(-c2nn[n-]n2)c1C ZINC000825577040 608059110 /nfs/dbraw/zinc/05/91/10/608059110.db2.gz RUHHDTMGUXUFMA-VIFPVBQESA-N -1 3 379.486 3.424 20 0 GGADHM CCC(CC)[C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825094790 608060231 /nfs/dbraw/zinc/06/02/31/608060231.db2.gz BRPMFYYLLBEPNQ-AWEZNQCLSA-N -1 3 398.511 3.116 20 0 GGADHM CCC(CC)[C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825094790 608060232 /nfs/dbraw/zinc/06/02/32/608060232.db2.gz BRPMFYYLLBEPNQ-AWEZNQCLSA-N -1 3 398.511 3.116 20 0 GGADHM FC(F)(F)c1cccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826368847 608066896 /nfs/dbraw/zinc/06/68/96/608066896.db2.gz CUMIYPMFHYDREB-KRWDZBQOSA-N -1 3 389.381 3.459 20 0 GGADHM FC(F)(F)c1cccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826368847 608066897 /nfs/dbraw/zinc/06/68/97/608066897.db2.gz CUMIYPMFHYDREB-KRWDZBQOSA-N -1 3 389.381 3.459 20 0 GGADHM c1csc(-c2nc(CN3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)co2)c1 ZINC000826513312 608069298 /nfs/dbraw/zinc/06/92/98/608069298.db2.gz HVEKNAYFGITGIY-MRXNPFEDSA-N -1 3 394.460 3.157 20 0 GGADHM c1csc(-c2nc(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)co2)c1 ZINC000826513312 608069299 /nfs/dbraw/zinc/06/92/99/608069299.db2.gz HVEKNAYFGITGIY-MRXNPFEDSA-N -1 3 394.460 3.157 20 0 GGADHM CCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825723165 608072381 /nfs/dbraw/zinc/07/23/81/608072381.db2.gz SNEZYVGRDGCCIJ-GOSISDBHSA-N -1 3 378.436 3.035 20 0 GGADHM CCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825723165 608072382 /nfs/dbraw/zinc/07/23/82/608072382.db2.gz SNEZYVGRDGCCIJ-GOSISDBHSA-N -1 3 378.436 3.035 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000825332800 608072571 /nfs/dbraw/zinc/07/25/71/608072571.db2.gz MHWYBNCLZYZMCH-KRWDZBQOSA-N -1 3 392.463 3.445 20 0 GGADHM Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000826290860 608072812 /nfs/dbraw/zinc/07/28/12/608072812.db2.gz DCJIXSJYDWUTLB-SFHVURJKSA-N -1 3 378.436 3.089 20 0 GGADHM Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1C ZINC000826290860 608072813 /nfs/dbraw/zinc/07/28/13/608072813.db2.gz DCJIXSJYDWUTLB-SFHVURJKSA-N -1 3 378.436 3.089 20 0 GGADHM C[C@@H](OC(=O)c1cnc(-c2ccncc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721840 608075201 /nfs/dbraw/zinc/07/52/01/608075201.db2.gz FJIWZDKWNHMTBQ-LLVKDONJSA-N -1 3 378.417 3.303 20 0 GGADHM C[C@@H](OC(=O)c1cnc(-c2ccncc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721840 608075202 /nfs/dbraw/zinc/07/52/02/608075202.db2.gz FJIWZDKWNHMTBQ-LLVKDONJSA-N -1 3 378.417 3.303 20 0 GGADHM C[C@H]1CC[C@H](COC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000824907561 608076900 /nfs/dbraw/zinc/07/69/00/608076900.db2.gz JBHMVZJDANVGLZ-IFXJQAMLSA-N -1 3 394.431 3.170 20 0 GGADHM CC(C)(C)C(=O)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000824065360 608078191 /nfs/dbraw/zinc/07/81/91/608078191.db2.gz YLXUGZLTRBXNEG-UHFFFAOYSA-N -1 3 395.488 3.363 20 0 GGADHM CC(C)(C)C(=O)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000824065360 608078192 /nfs/dbraw/zinc/07/81/92/608078192.db2.gz YLXUGZLTRBXNEG-UHFFFAOYSA-N -1 3 395.488 3.363 20 0 GGADHM CC(C)(C)C(=O)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000824064772 608078265 /nfs/dbraw/zinc/07/82/65/608078265.db2.gz LYCIKAMHXLTRGN-UHFFFAOYSA-N -1 3 395.488 3.363 20 0 GGADHM CC(C)(C)C(=O)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000824064772 608078266 /nfs/dbraw/zinc/07/82/66/608078266.db2.gz LYCIKAMHXLTRGN-UHFFFAOYSA-N -1 3 395.488 3.363 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1cccnc1 ZINC000826453940 608078803 /nfs/dbraw/zinc/07/88/03/608078803.db2.gz FCYAAYZTDRQTMJ-UHFFFAOYSA-N -1 3 393.382 3.228 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1cccnc1 ZINC000826453940 608078804 /nfs/dbraw/zinc/07/88/04/608078804.db2.gz FCYAAYZTDRQTMJ-UHFFFAOYSA-N -1 3 393.382 3.228 20 0 GGADHM Cc1ccc(CCCC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826287276 608080464 /nfs/dbraw/zinc/08/04/64/608080464.db2.gz JGHFNNAUAJQUMS-SFHVURJKSA-N -1 3 397.504 3.159 20 0 GGADHM Cc1ccc(CCCC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826287276 608080465 /nfs/dbraw/zinc/08/04/65/608080465.db2.gz JGHFNNAUAJQUMS-SFHVURJKSA-N -1 3 397.504 3.159 20 0 GGADHM Cc1ccccc1[C@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826305836 608080548 /nfs/dbraw/zinc/08/05/48/608080548.db2.gz JSTWIKZUFJKBQR-OXQOHEQNSA-N -1 3 391.475 3.269 20 0 GGADHM Cc1ccccc1[C@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826305836 608080549 /nfs/dbraw/zinc/08/05/49/608080549.db2.gz JSTWIKZUFJKBQR-OXQOHEQNSA-N -1 3 391.475 3.269 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C1CCCCC1 ZINC000824384745 608080605 /nfs/dbraw/zinc/08/06/05/608080605.db2.gz GXUDNXBRAJXKSX-DNVCBOLYSA-N -1 3 383.496 3.373 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C1CCCCC1 ZINC000824384745 608080606 /nfs/dbraw/zinc/08/06/06/608080606.db2.gz GXUDNXBRAJXKSX-DNVCBOLYSA-N -1 3 383.496 3.373 20 0 GGADHM CC1(C)CCC(CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000824797259 608080817 /nfs/dbraw/zinc/08/08/17/608080817.db2.gz XLBVOIILOJQKNI-GOSISDBHSA-N -1 3 383.496 3.373 20 0 GGADHM CC1(C)CCC(CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000824797259 608080818 /nfs/dbraw/zinc/08/08/18/608080818.db2.gz XLBVOIILOJQKNI-GOSISDBHSA-N -1 3 383.496 3.373 20 0 GGADHM CCCc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825348591 608080999 /nfs/dbraw/zinc/08/09/99/608080999.db2.gz RASFMDHZTDTZMA-IBGZPJMESA-N -1 3 377.448 3.033 20 0 GGADHM CCCc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825348591 608081000 /nfs/dbraw/zinc/08/10/00/608081000.db2.gz RASFMDHZTDTZMA-IBGZPJMESA-N -1 3 377.448 3.033 20 0 GGADHM CC[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC000825082075 608082432 /nfs/dbraw/zinc/08/24/32/608082432.db2.gz PWHBIDQTRFRISU-OXJNMPFZSA-N -1 3 391.475 3.351 20 0 GGADHM CC[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC000825082075 608082433 /nfs/dbraw/zinc/08/24/33/608082433.db2.gz PWHBIDQTRFRISU-OXJNMPFZSA-N -1 3 391.475 3.351 20 0 GGADHM O=C(c1cccc(C(F)F)c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474010 608084293 /nfs/dbraw/zinc/08/42/93/608084293.db2.gz XHDJTBNIOMNYIZ-MRXNPFEDSA-N -1 3 385.374 3.018 20 0 GGADHM O=C(c1cccc(C(F)F)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474010 608084294 /nfs/dbraw/zinc/08/42/94/608084294.db2.gz XHDJTBNIOMNYIZ-MRXNPFEDSA-N -1 3 385.374 3.018 20 0 GGADHM CC1(C)CCCC[C@H]1CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802341 608086986 /nfs/dbraw/zinc/08/69/86/608086986.db2.gz LYNCUUPJCZGSTN-ROUUACIJSA-N -1 3 383.496 3.373 20 0 GGADHM CC1(C)CCCC[C@H]1CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802341 608086987 /nfs/dbraw/zinc/08/69/87/608086987.db2.gz LYNCUUPJCZGSTN-ROUUACIJSA-N -1 3 383.496 3.373 20 0 GGADHM CCOC(=O)C(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825485726 608097076 /nfs/dbraw/zinc/09/70/76/608097076.db2.gz ITNMOQOIGBJZSW-UHFFFAOYSA-N -1 3 395.419 3.187 20 0 GGADHM CCOC(=O)C(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825485726 608097077 /nfs/dbraw/zinc/09/70/77/608097077.db2.gz ITNMOQOIGBJZSW-UHFFFAOYSA-N -1 3 395.419 3.187 20 0 GGADHM O=C(CSc1ccccc1Br)Nc1sccc1-c1nnn[n-]1 ZINC000826420942 608098272 /nfs/dbraw/zinc/09/82/72/608098272.db2.gz KBDUPLWJSCTCEG-UHFFFAOYSA-N -1 3 396.295 3.422 20 0 GGADHM O=C(CSc1ccccc1Br)Nc1sccc1-c1nn[n-]n1 ZINC000826420942 608098273 /nfs/dbraw/zinc/09/82/73/608098273.db2.gz KBDUPLWJSCTCEG-UHFFFAOYSA-N -1 3 396.295 3.422 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000824728353 608102340 /nfs/dbraw/zinc/10/23/40/608102340.db2.gz FNDUEUNRUBSGLX-CKFHNAJUSA-N -1 3 377.448 3.074 20 0 GGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825966180 608103534 /nfs/dbraw/zinc/10/35/34/608103534.db2.gz RUGBTDGTGGMYFU-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825966180 608103535 /nfs/dbraw/zinc/10/35/35/608103535.db2.gz RUGBTDGTGGMYFU-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000826451975 608106011 /nfs/dbraw/zinc/10/60/11/608106011.db2.gz DKIWCSNVJRSKHU-FRRDWIJNSA-N -1 3 396.929 3.021 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000826451975 608106012 /nfs/dbraw/zinc/10/60/12/608106012.db2.gz DKIWCSNVJRSKHU-FRRDWIJNSA-N -1 3 396.929 3.021 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@@H]1CCO[C@H]1C ZINC000826271817 608119379 /nfs/dbraw/zinc/11/93/79/608119379.db2.gz IWYIRDXBHLDGPQ-SCLBCKFNSA-N -1 3 394.435 3.266 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@@H]1CCO[C@H]1C ZINC000826271817 608119380 /nfs/dbraw/zinc/11/93/80/608119380.db2.gz IWYIRDXBHLDGPQ-SCLBCKFNSA-N -1 3 394.435 3.266 20 0 GGADHM Cc1cc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc(C)c1F ZINC000826259317 608120842 /nfs/dbraw/zinc/12/08/42/608120842.db2.gz OIADBYNAQOYBFY-UHFFFAOYSA-N -1 3 394.454 3.021 20 0 GGADHM Cc1cc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc(C)c1F ZINC000826259317 608120843 /nfs/dbraw/zinc/12/08/43/608120843.db2.gz OIADBYNAQOYBFY-UHFFFAOYSA-N -1 3 394.454 3.021 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@H](c3cc(C)cc(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826264687 608129716 /nfs/dbraw/zinc/12/97/16/608129716.db2.gz WUXMEKQWMWRJTH-INIZCTEOSA-N -1 3 394.479 3.121 20 0 GGADHM CC[C@H]1CCC[C@@H](CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000825194075 608131485 /nfs/dbraw/zinc/13/14/85/608131485.db2.gz OWTYEILUFUZRTN-JKSUJKDBSA-N -1 3 384.528 3.456 20 0 GGADHM CC[C@H]1CCC[C@@H](CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000825194075 608131486 /nfs/dbraw/zinc/13/14/86/608131486.db2.gz OWTYEILUFUZRTN-JKSUJKDBSA-N -1 3 384.528 3.456 20 0 GGADHM CC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC)c1ccccc1 ZINC000825040142 608136991 /nfs/dbraw/zinc/13/69/91/608136991.db2.gz YYDDGNZWTOSPAG-INIZCTEOSA-N -1 3 381.436 3.024 20 0 GGADHM CC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC)c1ccccc1 ZINC000825040142 608136992 /nfs/dbraw/zinc/13/69/92/608136992.db2.gz YYDDGNZWTOSPAG-INIZCTEOSA-N -1 3 381.436 3.024 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000826161555 608137509 /nfs/dbraw/zinc/13/75/09/608137509.db2.gz NZBQKKBBQCUKFC-UHFFFAOYSA-N -1 3 381.436 3.268 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000826161555 608137510 /nfs/dbraw/zinc/13/75/10/608137510.db2.gz NZBQKKBBQCUKFC-UHFFFAOYSA-N -1 3 381.436 3.268 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCn1c2ccccc2c2ccccc21 ZINC000826423503 608140732 /nfs/dbraw/zinc/14/07/32/608140732.db2.gz RVFVWXJKSDDXOL-UHFFFAOYSA-N -1 3 396.454 3.334 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCn1c2ccccc2c2ccccc21 ZINC000826423503 608140733 /nfs/dbraw/zinc/14/07/33/608140733.db2.gz RVFVWXJKSDDXOL-UHFFFAOYSA-N -1 3 396.454 3.334 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826231411 608141050 /nfs/dbraw/zinc/14/10/50/608141050.db2.gz KKTJKKRCDNPRSV-GFCCVEGCSA-N -1 3 386.525 3.369 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ncccc1C(F)(F)F ZINC000826401903 608143736 /nfs/dbraw/zinc/14/37/36/608143736.db2.gz JCVCUYHWMRZEEZ-FPLPWBNLSA-N -1 3 375.310 3.037 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ncccc1C(F)(F)F ZINC000826401903 608143737 /nfs/dbraw/zinc/14/37/37/608143737.db2.gz JCVCUYHWMRZEEZ-FPLPWBNLSA-N -1 3 375.310 3.037 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@@H]1C ZINC000826268623 608152285 /nfs/dbraw/zinc/15/22/85/608152285.db2.gz GMKXZKYDLOIFEB-RDTXWAMCSA-N -1 3 395.438 3.272 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@@H]1C ZINC000826268623 608152286 /nfs/dbraw/zinc/15/22/86/608152286.db2.gz GMKXZKYDLOIFEB-RDTXWAMCSA-N -1 3 395.438 3.272 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)C1CC1 ZINC000824109876 608152790 /nfs/dbraw/zinc/15/27/90/608152790.db2.gz XTBISZTVFMWHFA-MRXNPFEDSA-N -1 3 395.467 3.130 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)C1CC1 ZINC000824109876 608152791 /nfs/dbraw/zinc/15/27/91/608152791.db2.gz XTBISZTVFMWHFA-MRXNPFEDSA-N -1 3 395.467 3.130 20 0 GGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000825021884 608153375 /nfs/dbraw/zinc/15/33/75/608153375.db2.gz VAPPZYXGWZOYAM-CMPLNLGQSA-N -1 3 381.461 3.057 20 0 GGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000825021884 608153377 /nfs/dbraw/zinc/15/33/77/608153377.db2.gz VAPPZYXGWZOYAM-CMPLNLGQSA-N -1 3 381.461 3.057 20 0 GGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000825021885 608153713 /nfs/dbraw/zinc/15/37/13/608153713.db2.gz VAPPZYXGWZOYAM-JQWIXIFHSA-N -1 3 381.461 3.057 20 0 GGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000825021885 608153714 /nfs/dbraw/zinc/15/37/14/608153714.db2.gz VAPPZYXGWZOYAM-JQWIXIFHSA-N -1 3 381.461 3.057 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccc(F)n1 ZINC000826455498 608153738 /nfs/dbraw/zinc/15/37/38/608153738.db2.gz QRXDKWCPXKFOKY-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccc(F)n1 ZINC000826455498 608153740 /nfs/dbraw/zinc/15/37/40/608153740.db2.gz QRXDKWCPXKFOKY-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CC(C)(C)c1ccc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)on2)cc1 ZINC000824135959 608155585 /nfs/dbraw/zinc/15/55/85/608155585.db2.gz LAGSHASUVARFAR-UHFFFAOYSA-N -1 3 377.408 3.400 20 0 GGADHM CC(C)(C)c1ccc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)on2)cc1 ZINC000824135959 608155587 /nfs/dbraw/zinc/15/55/87/608155587.db2.gz LAGSHASUVARFAR-UHFFFAOYSA-N -1 3 377.408 3.400 20 0 GGADHM C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824514216 608159434 /nfs/dbraw/zinc/15/94/34/608159434.db2.gz NHUMQYDZLTYICD-CYBMUJFWSA-N -1 3 393.447 3.313 20 0 GGADHM C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824514216 608159435 /nfs/dbraw/zinc/15/94/35/608159435.db2.gz NHUMQYDZLTYICD-CYBMUJFWSA-N -1 3 393.447 3.313 20 0 GGADHM CCc1nn(C)cc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825762442 608160169 /nfs/dbraw/zinc/16/01/69/608160169.db2.gz BIFWHWVGJCBGJE-UHFFFAOYSA-N -1 3 389.419 3.207 20 0 GGADHM CCc1nn(C)cc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825762442 608160170 /nfs/dbraw/zinc/16/01/70/608160170.db2.gz BIFWHWVGJCBGJE-UHFFFAOYSA-N -1 3 389.419 3.207 20 0 GGADHM C[C@H](NC(=O)NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498438 608161023 /nfs/dbraw/zinc/16/10/23/608161023.db2.gz HFRDYELBPFOZBA-AWEZNQCLSA-N -1 3 394.454 3.389 20 0 GGADHM C[C@H](NC(=O)NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498438 608161026 /nfs/dbraw/zinc/16/10/26/608161026.db2.gz HFRDYELBPFOZBA-AWEZNQCLSA-N -1 3 394.454 3.389 20 0 GGADHM C[C@@H](NC(=O)NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498439 608161306 /nfs/dbraw/zinc/16/13/06/608161306.db2.gz HFRDYELBPFOZBA-CQSZACIVSA-N -1 3 394.454 3.389 20 0 GGADHM C[C@@H](NC(=O)NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498439 608161307 /nfs/dbraw/zinc/16/13/07/608161307.db2.gz HFRDYELBPFOZBA-CQSZACIVSA-N -1 3 394.454 3.389 20 0 GGADHM CCCC(=CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)CCC ZINC000825220774 608161905 /nfs/dbraw/zinc/16/19/05/608161905.db2.gz WRQYSCFUOFSFBM-UHFFFAOYSA-N -1 3 382.512 3.478 20 0 GGADHM CCCC(=CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)CCC ZINC000825220774 608161907 /nfs/dbraw/zinc/16/19/07/608161907.db2.gz WRQYSCFUOFSFBM-UHFFFAOYSA-N -1 3 382.512 3.478 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC2(CCC2)c2c1cccc2F ZINC000824045645 608164094 /nfs/dbraw/zinc/16/40/94/608164094.db2.gz NWFHDMFHGVAKLV-ZDUSSCGKSA-N -1 3 392.438 3.275 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC2(CCC2)c2c1cccc2F ZINC000824045645 608164096 /nfs/dbraw/zinc/16/40/96/608164096.db2.gz NWFHDMFHGVAKLV-ZDUSSCGKSA-N -1 3 392.438 3.275 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCOc2ccccc21 ZINC000824177212 608166216 /nfs/dbraw/zinc/16/62/16/608166216.db2.gz FCKGYUALGIYMKL-KRWDZBQOSA-N -1 3 380.404 3.091 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCOc2ccccc21 ZINC000824177212 608166219 /nfs/dbraw/zinc/16/62/19/608166219.db2.gz FCKGYUALGIYMKL-KRWDZBQOSA-N -1 3 380.404 3.091 20 0 GGADHM COc1ccc([C@H](C)OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826211903 608168482 /nfs/dbraw/zinc/16/84/82/608168482.db2.gz ZKHXMWMXKUALEY-ZDUSSCGKSA-N -1 3 382.420 3.337 20 0 GGADHM COc1ccc([C@H](C)OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211903 608168483 /nfs/dbraw/zinc/16/84/83/608168483.db2.gz ZKHXMWMXKUALEY-ZDUSSCGKSA-N -1 3 382.420 3.337 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000825787523 608172731 /nfs/dbraw/zinc/17/27/31/608172731.db2.gz HCQMVUBCTJJNPR-HZPDHXFCSA-N -1 3 387.447 3.054 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000825787523 608172733 /nfs/dbraw/zinc/17/27/33/608172733.db2.gz HCQMVUBCTJJNPR-HZPDHXFCSA-N -1 3 387.447 3.054 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](C)c1ccccc1F ZINC000825788700 608173910 /nfs/dbraw/zinc/17/39/10/608173910.db2.gz UPCKMWSOHILUKD-NSHDSACASA-N -1 3 379.399 3.118 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](C)c1ccccc1F ZINC000825788700 608173911 /nfs/dbraw/zinc/17/39/11/608173911.db2.gz UPCKMWSOHILUKD-NSHDSACASA-N -1 3 379.399 3.118 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(C)(C)c1ccccc1F ZINC000825788436 608175763 /nfs/dbraw/zinc/17/57/63/608175763.db2.gz QNFPBEJPKMPFPG-UHFFFAOYSA-N -1 3 393.426 3.292 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(C)(C)c1ccccc1F ZINC000825788436 608175765 /nfs/dbraw/zinc/17/57/65/608175765.db2.gz QNFPBEJPKMPFPG-UHFFFAOYSA-N -1 3 393.426 3.292 20 0 GGADHM CCOCCC1(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)CCCC1 ZINC000825589117 608176778 /nfs/dbraw/zinc/17/67/78/608176778.db2.gz AAXCTMCVWQAOBV-UHFFFAOYSA-N -1 3 397.483 3.162 20 0 GGADHM CCOCCC1(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)CCCC1 ZINC000825589117 608176780 /nfs/dbraw/zinc/17/67/80/608176780.db2.gz AAXCTMCVWQAOBV-UHFFFAOYSA-N -1 3 397.483 3.162 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(C(C)C)n1 ZINC000825792986 608177418 /nfs/dbraw/zinc/17/74/18/608177418.db2.gz IFESBIYAQXZJIY-UHFFFAOYSA-N -1 3 376.424 3.007 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(C(C)C)n1 ZINC000825792986 608177419 /nfs/dbraw/zinc/17/74/19/608177419.db2.gz IFESBIYAQXZJIY-UHFFFAOYSA-N -1 3 376.424 3.007 20 0 GGADHM CCCOc1cccc(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)c1 ZINC000825341573 608177819 /nfs/dbraw/zinc/17/78/19/608177819.db2.gz FMVKNXMGLZUDRB-UHFFFAOYSA-N -1 3 391.435 3.277 20 0 GGADHM CCCOc1cccc(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)c1 ZINC000825341573 608177821 /nfs/dbraw/zinc/17/78/21/608177821.db2.gz FMVKNXMGLZUDRB-UHFFFAOYSA-N -1 3 391.435 3.277 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1Nc1nccn2cnnc12 ZINC000826272129 608179586 /nfs/dbraw/zinc/17/95/86/608179586.db2.gz VSEJDYZTHUBYEZ-UHFFFAOYSA-N -1 3 385.391 3.149 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1cc2ccccc2o1 ZINC000825793520 608180779 /nfs/dbraw/zinc/18/07/79/608180779.db2.gz WBSDAEIMESPHRM-UHFFFAOYSA-N -1 3 387.403 3.164 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1cc2ccccc2o1 ZINC000825793520 608180780 /nfs/dbraw/zinc/18/07/80/608180780.db2.gz WBSDAEIMESPHRM-UHFFFAOYSA-N -1 3 387.403 3.164 20 0 GGADHM C[C@H](OC(=O)c1ccccc1N(C)C(=O)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723839 608185328 /nfs/dbraw/zinc/18/53/28/608185328.db2.gz VIGCBHGIHUWMSP-ZDUSSCGKSA-N -1 3 391.431 3.158 20 0 GGADHM C[C@H](OC(=O)c1ccccc1N(C)C(=O)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723839 608185330 /nfs/dbraw/zinc/18/53/30/608185330.db2.gz VIGCBHGIHUWMSP-ZDUSSCGKSA-N -1 3 391.431 3.158 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)C1 ZINC000824803855 608191672 /nfs/dbraw/zinc/19/16/72/608191672.db2.gz YGCJQNUPRJALAW-OAHLLOKOSA-N -1 3 379.468 3.089 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)C1 ZINC000824803855 608191673 /nfs/dbraw/zinc/19/16/73/608191673.db2.gz YGCJQNUPRJALAW-OAHLLOKOSA-N -1 3 379.468 3.089 20 0 GGADHM CN1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028516 608194429 /nfs/dbraw/zinc/19/44/29/608194429.db2.gz BMLGNBXJXSQJPA-PWSUYJOCSA-N -1 3 397.842 3.112 20 0 GGADHM CN1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028516 608194430 /nfs/dbraw/zinc/19/44/30/608194430.db2.gz BMLGNBXJXSQJPA-PWSUYJOCSA-N -1 3 397.842 3.112 20 0 GGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825059023 608194558 /nfs/dbraw/zinc/19/45/58/608194558.db2.gz BNWQZAOQQGRELM-KPZWWZAWSA-N -1 3 381.436 3.313 20 0 GGADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825059023 608194559 /nfs/dbraw/zinc/19/45/59/608194559.db2.gz BNWQZAOQQGRELM-KPZWWZAWSA-N -1 3 381.436 3.313 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H](O)c1ccccc1 ZINC000823350207 608199393 /nfs/dbraw/zinc/19/93/93/608199393.db2.gz DKJMABJAJMHASM-IBGZPJMESA-N -1 3 387.399 3.331 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H](O)c1ccccc1 ZINC000823350207 608199394 /nfs/dbraw/zinc/19/93/94/608199394.db2.gz DKJMABJAJMHASM-IBGZPJMESA-N -1 3 387.399 3.331 20 0 GGADHM C[C@]1(COC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CCOC1 ZINC000824831480 608199728 /nfs/dbraw/zinc/19/97/28/608199728.db2.gz OQBUNGKYOQLDEU-NRFANRHFSA-N -1 3 394.431 3.029 20 0 GGADHM C[C@]1(COC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CCOC1 ZINC000824831480 608199731 /nfs/dbraw/zinc/19/97/31/608199731.db2.gz OQBUNGKYOQLDEU-NRFANRHFSA-N -1 3 394.431 3.029 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@H](C(C)(C)c1ccccc1)C(F)(F)F ZINC000826358244 608200400 /nfs/dbraw/zinc/20/04/00/608200400.db2.gz LYACBPRFOZOGDN-MRXNPFEDSA-N -1 3 393.369 3.271 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@H](C(C)(C)c1ccccc1)C(F)(F)F ZINC000826358244 608200402 /nfs/dbraw/zinc/20/04/02/608200402.db2.gz LYACBPRFOZOGDN-MRXNPFEDSA-N -1 3 393.369 3.271 20 0 GGADHM O=C(Nc1cc(Cl)[nH]n1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826451499 608200636 /nfs/dbraw/zinc/20/06/36/608200636.db2.gz JHRYPAZUHKDLJK-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM Cc1nc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cs1 ZINC000826326759 608201645 /nfs/dbraw/zinc/20/16/45/608201645.db2.gz COBOJCQMJWDARP-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM Cc1nc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cs1 ZINC000826326759 608201647 /nfs/dbraw/zinc/20/16/47/608201647.db2.gz COBOJCQMJWDARP-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826314939 608201759 /nfs/dbraw/zinc/20/17/59/608201759.db2.gz SFRNXLMVBFAKGR-SECBINFHSA-N -1 3 377.235 3.368 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826314939 608201761 /nfs/dbraw/zinc/20/17/61/608201761.db2.gz SFRNXLMVBFAKGR-SECBINFHSA-N -1 3 377.235 3.368 20 0 GGADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000826283178 608202677 /nfs/dbraw/zinc/20/26/77/608202677.db2.gz MJDKGMNQMSUAJJ-KUHUBIRLSA-N -1 3 395.463 3.065 20 0 GGADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000826283178 608202679 /nfs/dbraw/zinc/20/26/79/608202679.db2.gz MJDKGMNQMSUAJJ-KUHUBIRLSA-N -1 3 395.463 3.065 20 0 GGADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000826283176 608203147 /nfs/dbraw/zinc/20/31/47/608203147.db2.gz MJDKGMNQMSUAJJ-AUUYWEPGSA-N -1 3 395.463 3.065 20 0 GGADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000826283176 608203148 /nfs/dbraw/zinc/20/31/48/608203148.db2.gz MJDKGMNQMSUAJJ-AUUYWEPGSA-N -1 3 395.463 3.065 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826314701 608207474 /nfs/dbraw/zinc/20/74/74/608207474.db2.gz JJJSKEKOGPKLII-SNVBAGLBSA-N -1 3 389.366 3.054 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826314701 608207476 /nfs/dbraw/zinc/20/74/76/608207476.db2.gz JJJSKEKOGPKLII-SNVBAGLBSA-N -1 3 389.366 3.054 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000824763587 608220211 /nfs/dbraw/zinc/22/02/11/608220211.db2.gz NRYWHAUQQPQADP-GFCCVEGCSA-N -1 3 397.870 3.079 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000824763587 608220213 /nfs/dbraw/zinc/22/02/13/608220213.db2.gz NRYWHAUQQPQADP-GFCCVEGCSA-N -1 3 397.870 3.079 20 0 GGADHM COc1ccc(COCCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826206905 608226804 /nfs/dbraw/zinc/22/68/04/608226804.db2.gz QKLJULCYTLJQKN-UHFFFAOYSA-N -1 3 390.447 3.442 20 0 GGADHM COc1ccc(COCCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826206905 608226805 /nfs/dbraw/zinc/22/68/05/608226805.db2.gz QKLJULCYTLJQKN-UHFFFAOYSA-N -1 3 390.447 3.442 20 0 GGADHM COc1ccccc1OCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826220424 608226861 /nfs/dbraw/zinc/22/68/61/608226861.db2.gz NGDQRZGYPQJLJT-UHFFFAOYSA-N -1 3 376.420 3.305 20 0 GGADHM COc1ccccc1OCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826220424 608226862 /nfs/dbraw/zinc/22/68/62/608226862.db2.gz NGDQRZGYPQJLJT-UHFFFAOYSA-N -1 3 376.420 3.305 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000826264809 608227211 /nfs/dbraw/zinc/22/72/11/608227211.db2.gz BDCVQHWZFANASN-SFHVURJKSA-N -1 3 388.479 3.287 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000826264809 608227213 /nfs/dbraw/zinc/22/72/13/608227213.db2.gz BDCVQHWZFANASN-SFHVURJKSA-N -1 3 388.479 3.287 20 0 GGADHM O=C(CCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1)N1CCc2ccccc21 ZINC000826405996 608228756 /nfs/dbraw/zinc/22/87/56/608228756.db2.gz CMLMJHNAFZSGJY-UHFFFAOYSA-N -1 3 399.458 3.196 20 0 GGADHM O=C(CCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1)N1CCc2ccccc21 ZINC000826405996 608228758 /nfs/dbraw/zinc/22/87/58/608228758.db2.gz CMLMJHNAFZSGJY-UHFFFAOYSA-N -1 3 399.458 3.196 20 0 GGADHM Fc1ccc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000826375614 608235488 /nfs/dbraw/zinc/23/54/88/608235488.db2.gz UYQQLDMBGJGTEK-INIZCTEOSA-N -1 3 391.353 3.185 20 0 GGADHM Fc1ccc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000826375614 608235490 /nfs/dbraw/zinc/23/54/90/608235490.db2.gz UYQQLDMBGJGTEK-INIZCTEOSA-N -1 3 391.353 3.185 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000826371947 608235717 /nfs/dbraw/zinc/23/57/17/608235717.db2.gz AHKOUFYZKKJMDF-MRXNPFEDSA-N -1 3 391.353 3.185 20 0 GGADHM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826098783 608237759 /nfs/dbraw/zinc/23/77/59/608237759.db2.gz OFDLTWIAHQXHRT-LBPRGKRZSA-N -1 3 397.401 3.301 20 0 GGADHM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000826098783 608237760 /nfs/dbraw/zinc/23/77/60/608237760.db2.gz OFDLTWIAHQXHRT-LBPRGKRZSA-N -1 3 397.401 3.301 20 0 GGADHM Cc1cccc([C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826296195 608245912 /nfs/dbraw/zinc/24/59/12/608245912.db2.gz MISUJIGMJGXYHS-MLUDITRGSA-N -1 3 396.454 3.489 20 0 GGADHM Cc1cccc([C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826296195 608245914 /nfs/dbraw/zinc/24/59/14/608245914.db2.gz MISUJIGMJGXYHS-MLUDITRGSA-N -1 3 396.454 3.489 20 0 GGADHM Cc1cccc([C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccn2)c1 ZINC000826297041 608246004 /nfs/dbraw/zinc/24/60/04/608246004.db2.gz SWIZRADJJBOYIL-NRFANRHFSA-N -1 3 384.443 3.018 20 0 GGADHM Cc1cccc([C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826297041 608246006 /nfs/dbraw/zinc/24/60/06/608246006.db2.gz SWIZRADJJBOYIL-NRFANRHFSA-N -1 3 384.443 3.018 20 0 GGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000824119934 608250763 /nfs/dbraw/zinc/25/07/63/608250763.db2.gz USRPNQNOOWNXML-UHFFFAOYSA-N -1 3 384.415 3.234 20 0 GGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826401246 608252835 /nfs/dbraw/zinc/25/28/35/608252835.db2.gz TTZXJITXBODWNX-SOFGYWHQSA-N -1 3 389.415 3.374 20 0 GGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826401246 608252838 /nfs/dbraw/zinc/25/28/38/608252838.db2.gz TTZXJITXBODWNX-SOFGYWHQSA-N -1 3 389.415 3.374 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cccc(F)c1Cl ZINC000826420818 608253559 /nfs/dbraw/zinc/25/35/59/608253559.db2.gz DSIFUFULNGSKBN-UHFFFAOYSA-N -1 3 378.816 3.495 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cccc(F)c1Cl ZINC000826420818 608253560 /nfs/dbraw/zinc/25/35/60/608253560.db2.gz DSIFUFULNGSKBN-UHFFFAOYSA-N -1 3 378.816 3.495 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000825789290 608254091 /nfs/dbraw/zinc/25/40/91/608254091.db2.gz YKGUCLNMQVEYDA-SFHVURJKSA-N -1 3 387.447 3.369 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000825789290 608254092 /nfs/dbraw/zinc/25/40/92/608254092.db2.gz YKGUCLNMQVEYDA-SFHVURJKSA-N -1 3 387.447 3.369 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C)n1-c1ccccc1C ZINC000826173537 608261374 /nfs/dbraw/zinc/26/13/74/608261374.db2.gz INMSFTURANXUFJ-UHFFFAOYSA-N -1 3 393.476 3.365 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C)n1-c1ccccc1C ZINC000826173537 608261377 /nfs/dbraw/zinc/26/13/77/608261377.db2.gz INMSFTURANXUFJ-UHFFFAOYSA-N -1 3 393.476 3.365 20 0 GGADHM O=C(CSc1cccc(Br)c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826420861 608261685 /nfs/dbraw/zinc/26/16/85/608261685.db2.gz GGXQFFCUJMQKLI-UHFFFAOYSA-N -1 3 391.250 3.327 20 0 GGADHM O=C(CSc1cccc(Br)c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826420861 608261686 /nfs/dbraw/zinc/26/16/86/608261686.db2.gz GGXQFFCUJMQKLI-UHFFFAOYSA-N -1 3 391.250 3.327 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccccc2C)n1C ZINC000826173512 608262584 /nfs/dbraw/zinc/26/25/84/608262584.db2.gz HMYVIFUBXUWFJR-UHFFFAOYSA-N -1 3 393.476 3.272 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccccc2C)n1C ZINC000826173512 608262587 /nfs/dbraw/zinc/26/25/87/608262587.db2.gz HMYVIFUBXUWFJR-UHFFFAOYSA-N -1 3 393.476 3.272 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCCc2cc(C)ccc21 ZINC000826294331 608269918 /nfs/dbraw/zinc/26/99/18/608269918.db2.gz OROFSECWHLZVJL-UHFFFAOYSA-N -1 3 386.463 3.152 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCCc2cc(C)ccc21 ZINC000826294331 608269919 /nfs/dbraw/zinc/26/99/19/608269919.db2.gz OROFSECWHLZVJL-UHFFFAOYSA-N -1 3 386.463 3.152 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826452865 608270001 /nfs/dbraw/zinc/27/00/01/608270001.db2.gz MCHPMQYQFQWNNI-PBHICJAKSA-N -1 3 398.854 3.419 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826452865 608270002 /nfs/dbraw/zinc/27/00/02/608270002.db2.gz MCHPMQYQFQWNNI-PBHICJAKSA-N -1 3 398.854 3.419 20 0 GGADHM Cc1n[nH]c(C)c1CCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826321995 608276244 /nfs/dbraw/zinc/27/62/44/608276244.db2.gz WQNSAMIUTJOPIQ-UHFFFAOYSA-N -1 3 388.431 3.273 20 0 GGADHM Cc1n[nH]c(C)c1CCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826321995 608276245 /nfs/dbraw/zinc/27/62/45/608276245.db2.gz WQNSAMIUTJOPIQ-UHFFFAOYSA-N -1 3 388.431 3.273 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc(F)c(Br)c2)n1 ZINC000826276812 608277305 /nfs/dbraw/zinc/27/73/05/608277305.db2.gz YHQMZTKEUGJJBF-UHFFFAOYSA-N -1 3 377.221 3.126 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc(F)c(Br)c2)n1 ZINC000826276812 608277307 /nfs/dbraw/zinc/27/73/07/608277307.db2.gz YHQMZTKEUGJJBF-UHFFFAOYSA-N -1 3 377.221 3.126 20 0 GGADHM Fc1ccc(N2CC[C@H](CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826375460 608277606 /nfs/dbraw/zinc/27/76/06/608277606.db2.gz OJONWWCUURRELN-CQSZACIVSA-N -1 3 393.470 3.218 20 0 GGADHM Fc1ccc(N2CC[C@H](CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)cc1 ZINC000826375460 608277607 /nfs/dbraw/zinc/27/76/07/608277607.db2.gz OJONWWCUURRELN-CQSZACIVSA-N -1 3 393.470 3.218 20 0 GGADHM CCCn1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)c1C1CC1 ZINC000825363329 608278159 /nfs/dbraw/zinc/27/81/59/608278159.db2.gz YEORPYJFXLASRA-UHFFFAOYSA-N -1 3 381.440 3.002 20 0 GGADHM CCCn1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)c1C1CC1 ZINC000825363329 608278161 /nfs/dbraw/zinc/27/81/61/608278161.db2.gz YEORPYJFXLASRA-UHFFFAOYSA-N -1 3 381.440 3.002 20 0 GGADHM C[C@@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C[C@H](c2ccccc2)O1 ZINC000825000467 608278178 /nfs/dbraw/zinc/27/81/78/608278178.db2.gz QVIOPJPZSPXTNX-AUUYWEPGSA-N -1 3 376.464 3.107 20 0 GGADHM C[C@@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C[C@H](c2ccccc2)O1 ZINC000825000467 608278179 /nfs/dbraw/zinc/27/81/79/608278179.db2.gz QVIOPJPZSPXTNX-AUUYWEPGSA-N -1 3 376.464 3.107 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274891 608281732 /nfs/dbraw/zinc/28/17/32/608281732.db2.gz IERPREWQYQBKMP-OAHLLOKOSA-N -1 3 391.262 3.455 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274891 608281734 /nfs/dbraw/zinc/28/17/34/608281734.db2.gz IERPREWQYQBKMP-OAHLLOKOSA-N -1 3 391.262 3.455 20 0 GGADHM COc1cc(F)c([C@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)cc1OC ZINC000826179912 608283050 /nfs/dbraw/zinc/28/30/50/608283050.db2.gz KNMBYNSLABCRHA-JTQLQIEISA-N -1 3 375.379 3.013 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000824324366 608287321 /nfs/dbraw/zinc/28/73/21/608287321.db2.gz MLJRGFJYPWWXKY-IBGZPJMESA-N -1 3 394.479 3.073 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000824324366 608287323 /nfs/dbraw/zinc/28/73/23/608287323.db2.gz MLJRGFJYPWWXKY-IBGZPJMESA-N -1 3 394.479 3.073 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000826276177 608288430 /nfs/dbraw/zinc/28/84/30/608288430.db2.gz WZYQLKXMEOGTAH-ZDUSSCGKSA-N -1 3 389.385 3.280 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000826276177 608288432 /nfs/dbraw/zinc/28/84/32/608288432.db2.gz WZYQLKXMEOGTAH-ZDUSSCGKSA-N -1 3 389.385 3.280 20 0 GGADHM C[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000824999571 608290766 /nfs/dbraw/zinc/29/07/66/608290766.db2.gz HZMLVJDKQFHFPY-ORAYPTAESA-N -1 3 394.454 3.246 20 0 GGADHM C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000824999571 608290767 /nfs/dbraw/zinc/29/07/67/608290767.db2.gz HZMLVJDKQFHFPY-ORAYPTAESA-N -1 3 394.454 3.246 20 0 GGADHM C[C@@]1(O)CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824839053 608290917 /nfs/dbraw/zinc/29/09/17/608290917.db2.gz XVSFXZFYIWTGBE-HXUWFJFHSA-N -1 3 394.435 3.038 20 0 GGADHM C[C@@]1(O)CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824839053 608290919 /nfs/dbraw/zinc/29/09/19/608290919.db2.gz XVSFXZFYIWTGBE-HXUWFJFHSA-N -1 3 394.435 3.038 20 0 GGADHM Cc1ccccc1[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000826306737 608291269 /nfs/dbraw/zinc/29/12/69/608291269.db2.gz JRRRRXIDFKXPKM-LJQANCHMSA-N -1 3 376.464 3.027 20 0 GGADHM Cc1ccccc1[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000826306737 608291270 /nfs/dbraw/zinc/29/12/70/608291270.db2.gz JRRRRXIDFKXPKM-LJQANCHMSA-N -1 3 376.464 3.027 20 0 GGADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000536906676 608292143 /nfs/dbraw/zinc/29/21/43/608292143.db2.gz WBOABUMJONQYTF-INIZCTEOSA-N -1 3 386.459 3.402 20 0 GGADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000536906676 608292146 /nfs/dbraw/zinc/29/21/46/608292146.db2.gz WBOABUMJONQYTF-INIZCTEOSA-N -1 3 386.459 3.402 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000823826017 608295118 /nfs/dbraw/zinc/29/51/18/608295118.db2.gz AAPSZTVQJSDBPL-STQMWFEESA-N -1 3 392.301 3.272 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000823826016 608295168 /nfs/dbraw/zinc/29/51/68/608295168.db2.gz AAPSZTVQJSDBPL-QWHCGFSZSA-N -1 3 392.301 3.272 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC000824103880 608295894 /nfs/dbraw/zinc/29/58/94/608295894.db2.gz KUYGIPRIDAWHFZ-UHFFFAOYSA-N -1 3 384.484 3.094 20 0 GGADHM COCC1(C)CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826152470 608297415 /nfs/dbraw/zinc/29/74/15/608297415.db2.gz AFIDHOBKSSCTNH-UHFFFAOYSA-N -1 3 390.850 3.460 20 0 GGADHM COCC1(C)CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826152470 608297417 /nfs/dbraw/zinc/29/74/17/608297417.db2.gz AFIDHOBKSSCTNH-UHFFFAOYSA-N -1 3 390.850 3.460 20 0 GGADHM COC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(F)c(F)c1 ZINC000826151859 608297444 /nfs/dbraw/zinc/29/74/44/608297444.db2.gz KVZMHEXMAARDOK-QGZVFWFLSA-N -1 3 382.374 3.493 20 0 GGADHM COC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(F)c(F)c1 ZINC000826151859 608297446 /nfs/dbraw/zinc/29/74/46/608297446.db2.gz KVZMHEXMAARDOK-QGZVFWFLSA-N -1 3 382.374 3.493 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000826274063 608298152 /nfs/dbraw/zinc/29/81/52/608298152.db2.gz FRJVBJWXQDKRHM-ZDUSSCGKSA-N -1 3 381.509 3.289 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000826274063 608298154 /nfs/dbraw/zinc/29/81/54/608298154.db2.gz FRJVBJWXQDKRHM-ZDUSSCGKSA-N -1 3 381.509 3.289 20 0 GGADHM Cc1nnc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826336431 608301615 /nfs/dbraw/zinc/30/16/15/608301615.db2.gz XXFZGERIDFTGSE-UHFFFAOYSA-N -1 3 392.448 3.015 20 0 GGADHM Cc1nnc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826336431 608301616 /nfs/dbraw/zinc/30/16/16/608301616.db2.gz XXFZGERIDFTGSE-UHFFFAOYSA-N -1 3 392.448 3.015 20 0 GGADHM O=C(/C=C\C1CCOCC1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826400124 608305357 /nfs/dbraw/zinc/30/53/57/608305357.db2.gz QDWXCQDRUKXPML-YFHOEESVSA-N -1 3 389.459 3.133 20 0 GGADHM O=C(/C=C\C1CCOCC1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826400124 608305358 /nfs/dbraw/zinc/30/53/58/608305358.db2.gz QDWXCQDRUKXPML-YFHOEESVSA-N -1 3 389.459 3.133 20 0 GGADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316505 608307793 /nfs/dbraw/zinc/30/77/93/608307793.db2.gz QFTCVKMSMVKFDP-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316505 608307795 /nfs/dbraw/zinc/30/77/95/608307795.db2.gz QFTCVKMSMVKFDP-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000824040500 608308685 /nfs/dbraw/zinc/30/86/85/608308685.db2.gz QWJJTCPSCZXANW-NSHDSACASA-N -1 3 386.253 3.396 20 0 GGADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000824040500 608308687 /nfs/dbraw/zinc/30/86/87/608308687.db2.gz QWJJTCPSCZXANW-NSHDSACASA-N -1 3 386.253 3.396 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(Cc2ccco2)C(C)C)c1-c1nnn[n-]1 ZINC000826332039 608310233 /nfs/dbraw/zinc/31/02/33/608310233.db2.gz HSEOWDSHRCRTQM-UHFFFAOYSA-N -1 3 377.452 3.364 20 0 GGADHM CC(C)c1ccc(C[C@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824450132 608310700 /nfs/dbraw/zinc/31/07/00/608310700.db2.gz SEJLVXCLTTYKJM-HNNXBMFYSA-N -1 3 378.480 3.421 20 0 GGADHM CC(C)c1ccc(C[C@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824450132 608310702 /nfs/dbraw/zinc/31/07/02/608310702.db2.gz SEJLVXCLTTYKJM-HNNXBMFYSA-N -1 3 378.480 3.421 20 0 GGADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)cc1 ZINC000824051599 608310764 /nfs/dbraw/zinc/31/07/64/608310764.db2.gz ADSLJISLOOJRGG-SECBINFHSA-N -1 3 391.200 3.477 20 0 GGADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)cc1 ZINC000824051599 608310766 /nfs/dbraw/zinc/31/07/66/608310766.db2.gz ADSLJISLOOJRGG-SECBINFHSA-N -1 3 391.200 3.477 20 0 GGADHM CC(C)Cn1ncc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824284169 608312745 /nfs/dbraw/zinc/31/27/45/608312745.db2.gz CTFFJMTXTYRWEE-AWEZNQCLSA-N -1 3 397.483 3.249 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C[C@H]1C ZINC000824947917 608313281 /nfs/dbraw/zinc/31/32/81/608313281.db2.gz RPEWPPIJQFDZJX-UONOGXRCSA-N -1 3 381.436 3.157 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C[C@H]1C ZINC000824947917 608313283 /nfs/dbraw/zinc/31/32/83/608313283.db2.gz RPEWPPIJQFDZJX-UONOGXRCSA-N -1 3 381.436 3.157 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@H]1CCCc2cc(F)ccc21 ZINC000826440478 608313966 /nfs/dbraw/zinc/31/39/66/608313966.db2.gz NXGHVWRHFLHAGH-KRWDZBQOSA-N -1 3 384.390 3.022 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@H]1CCCc2cc(F)ccc21 ZINC000826440478 608313968 /nfs/dbraw/zinc/31/39/68/608313968.db2.gz NXGHVWRHFLHAGH-KRWDZBQOSA-N -1 3 384.390 3.022 20 0 GGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825012244 608314628 /nfs/dbraw/zinc/31/46/28/608314628.db2.gz FOYIQHBNMHQTKQ-NSHDSACASA-N -1 3 398.264 3.216 20 0 GGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825012244 608314630 /nfs/dbraw/zinc/31/46/30/608314630.db2.gz FOYIQHBNMHQTKQ-NSHDSACASA-N -1 3 398.264 3.216 20 0 GGADHM Cc1nnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)s1 ZINC000826335522 608317208 /nfs/dbraw/zinc/31/72/08/608317208.db2.gz QISYGFNLOMLEGX-UHFFFAOYSA-N -1 3 395.467 3.368 20 0 GGADHM Cc1nnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)s1 ZINC000826335522 608317210 /nfs/dbraw/zinc/31/72/10/608317210.db2.gz QISYGFNLOMLEGX-UHFFFAOYSA-N -1 3 395.467 3.368 20 0 GGADHM C[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824053293 608317888 /nfs/dbraw/zinc/31/78/88/608317888.db2.gz XHJZZNWKQSJOHK-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM C[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824053293 608317891 /nfs/dbraw/zinc/31/78/91/608317891.db2.gz XHJZZNWKQSJOHK-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(F)c(Cl)c1F ZINC000826183911 608320716 /nfs/dbraw/zinc/32/07/16/608320716.db2.gz FDMDFIWABJBSIV-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(F)c(Cl)c1F ZINC000826183911 608320717 /nfs/dbraw/zinc/32/07/17/608320717.db2.gz FDMDFIWABJBSIV-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM Cc1cc(Cl)cc(C)c1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826267699 608326189 /nfs/dbraw/zinc/32/61/89/608326189.db2.gz RBLUABMXWFDEML-UHFFFAOYSA-N -1 3 396.831 3.185 20 0 GGADHM Cc1cc(Cl)cc(C)c1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826267699 608326191 /nfs/dbraw/zinc/32/61/91/608326191.db2.gz RBLUABMXWFDEML-UHFFFAOYSA-N -1 3 396.831 3.185 20 0 GGADHM O=C(CCc1ccccn1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826409094 608328446 /nfs/dbraw/zinc/32/84/46/608328446.db2.gz IKBWFVFDNSEKGY-UHFFFAOYSA-N -1 3 384.443 3.178 20 0 GGADHM O=C(CCc1ccccn1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409094 608328448 /nfs/dbraw/zinc/32/84/48/608328448.db2.gz IKBWFVFDNSEKGY-UHFFFAOYSA-N -1 3 384.443 3.178 20 0 GGADHM O=Cc1cc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000826484109 608328503 /nfs/dbraw/zinc/32/85/03/608328503.db2.gz NWFUSKNCXWTAPU-UHFFFAOYSA-N -1 3 389.440 3.338 20 0 GGADHM O=Cc1cc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000826484109 608328505 /nfs/dbraw/zinc/32/85/05/608328505.db2.gz NWFUSKNCXWTAPU-UHFFFAOYSA-N -1 3 389.440 3.338 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825120524 608335824 /nfs/dbraw/zinc/33/58/24/608335824.db2.gz KXRWSZCZXRHPTK-HNNXBMFYSA-N -1 3 377.514 3.016 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825120524 608335827 /nfs/dbraw/zinc/33/58/27/608335827.db2.gz KXRWSZCZXRHPTK-HNNXBMFYSA-N -1 3 377.514 3.016 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cnn2ccc(C)cc12 ZINC000825608987 608336473 /nfs/dbraw/zinc/33/64/73/608336473.db2.gz GOEDGBAKOZSWII-UHFFFAOYSA-N -1 3 398.810 3.094 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cnn2ccc(C)cc12 ZINC000825608987 608336474 /nfs/dbraw/zinc/33/64/74/608336474.db2.gz GOEDGBAKOZSWII-UHFFFAOYSA-N -1 3 398.810 3.094 20 0 GGADHM CC(C)(C)OC(=O)CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824099469 608336659 /nfs/dbraw/zinc/33/66/59/608336659.db2.gz GYEQAKJKBKLVLF-UHFFFAOYSA-N -1 3 394.863 3.154 20 0 GGADHM CC(C)(C)OC(=O)CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824099469 608336661 /nfs/dbraw/zinc/33/66/61/608336661.db2.gz GYEQAKJKBKLVLF-UHFFFAOYSA-N -1 3 394.863 3.154 20 0 GGADHM CC(C)(C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C1CCCCC1 ZINC000824059523 608338450 /nfs/dbraw/zinc/33/84/50/608338450.db2.gz ZMGVTASCXNOMSN-SFHVURJKSA-N -1 3 383.496 3.373 20 0 GGADHM CC(C)(C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C1CCCCC1 ZINC000824059523 608338453 /nfs/dbraw/zinc/33/84/53/608338453.db2.gz ZMGVTASCXNOMSN-SFHVURJKSA-N -1 3 383.496 3.373 20 0 GGADHM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824243014 608338769 /nfs/dbraw/zinc/33/87/69/608338769.db2.gz CPFFOINGPDJZMD-INIZCTEOSA-N -1 3 395.504 3.126 20 0 GGADHM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824243014 608338770 /nfs/dbraw/zinc/33/87/70/608338770.db2.gz CPFFOINGPDJZMD-INIZCTEOSA-N -1 3 395.504 3.126 20 0 GGADHM CCN(C(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386144 608342675 /nfs/dbraw/zinc/34/26/75/608342675.db2.gz ZBLKYCIXIPUDHR-UHFFFAOYSA-N -1 3 384.783 3.034 20 0 GGADHM CCN(C(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386144 608342677 /nfs/dbraw/zinc/34/26/77/608342677.db2.gz ZBLKYCIXIPUDHR-UHFFFAOYSA-N -1 3 384.783 3.034 20 0 GGADHM CCN(C(=O)[C@H](C)c1c(C)nn(C)c1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362527 608343033 /nfs/dbraw/zinc/34/30/33/608343033.db2.gz NRZSRXIHZBQMKS-SNVBAGLBSA-N -1 3 387.875 3.027 20 0 GGADHM CCN(C(=O)[C@H](C)c1c(C)nn(C)c1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362527 608343035 /nfs/dbraw/zinc/34/30/35/608343035.db2.gz NRZSRXIHZBQMKS-SNVBAGLBSA-N -1 3 387.875 3.027 20 0 GGADHM O=C(NCCc1ccco1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826439596 608343427 /nfs/dbraw/zinc/34/34/27/608343427.db2.gz BEVYRZQHXOCJKE-UHFFFAOYSA-N -1 3 388.431 3.169 20 0 GGADHM O=C(NCCc1ccco1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826439596 608343429 /nfs/dbraw/zinc/34/34/29/608343429.db2.gz BEVYRZQHXOCJKE-UHFFFAOYSA-N -1 3 388.431 3.169 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1cccc2ccccc21 ZINC000826171937 608343901 /nfs/dbraw/zinc/34/39/01/608343901.db2.gz GEEHIAYIUAKESJ-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1cccc2ccccc21 ZINC000826171937 608343903 /nfs/dbraw/zinc/34/39/03/608343903.db2.gz GEEHIAYIUAKESJ-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM CCN(C(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361994 608344221 /nfs/dbraw/zinc/34/42/21/608344221.db2.gz IFLVDAMBPLKQNV-NSHDSACASA-N -1 3 389.818 3.480 20 0 GGADHM CCN(C(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361994 608344222 /nfs/dbraw/zinc/34/42/22/608344222.db2.gz IFLVDAMBPLKQNV-NSHDSACASA-N -1 3 389.818 3.480 20 0 GGADHM COCc1c2ccccc2oc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826164166 608345222 /nfs/dbraw/zinc/34/52/22/608345222.db2.gz FLHOYHZINJBUFX-UHFFFAOYSA-N -1 3 394.387 3.125 20 0 GGADHM COCc1c2ccccc2oc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826164166 608345223 /nfs/dbraw/zinc/34/52/23/608345223.db2.gz FLHOYHZINJBUFX-UHFFFAOYSA-N -1 3 394.387 3.125 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000826172785 608348890 /nfs/dbraw/zinc/34/88/90/608348890.db2.gz XEQFSARGQBZEEM-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000826172785 608348892 /nfs/dbraw/zinc/34/88/92/608348892.db2.gz XEQFSARGQBZEEM-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826171333 608350741 /nfs/dbraw/zinc/35/07/41/608350741.db2.gz KCWMKQWCENIGNS-AWEZNQCLSA-N -1 3 396.447 3.196 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826171333 608350743 /nfs/dbraw/zinc/35/07/43/608350743.db2.gz KCWMKQWCENIGNS-AWEZNQCLSA-N -1 3 396.447 3.196 20 0 GGADHM C[C@@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824938892 608356044 /nfs/dbraw/zinc/35/60/44/608356044.db2.gz WTCRDBBGRHPMPL-OAHLLOKOSA-N -1 3 376.464 3.475 20 0 GGADHM C[C@@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824938892 608356046 /nfs/dbraw/zinc/35/60/46/608356046.db2.gz WTCRDBBGRHPMPL-OAHLLOKOSA-N -1 3 376.464 3.475 20 0 GGADHM C[C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824938889 608356055 /nfs/dbraw/zinc/35/60/55/608356055.db2.gz WTCRDBBGRHPMPL-HNNXBMFYSA-N -1 3 376.464 3.475 20 0 GGADHM C[C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824938889 608356057 /nfs/dbraw/zinc/35/60/57/608356057.db2.gz WTCRDBBGRHPMPL-HNNXBMFYSA-N -1 3 376.464 3.475 20 0 GGADHM CN(CCC1CC1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825918965 608356622 /nfs/dbraw/zinc/35/66/22/608356622.db2.gz QUXCYQSPKFVLTP-UHFFFAOYSA-N -1 3 376.464 3.475 20 0 GGADHM CN(CCC1CC1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825918965 608356623 /nfs/dbraw/zinc/35/66/23/608356623.db2.gz QUXCYQSPKFVLTP-UHFFFAOYSA-N -1 3 376.464 3.475 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826171308 608360517 /nfs/dbraw/zinc/36/05/17/608360517.db2.gz JICJXCDXRUOAAL-HIFRSBDPSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826171308 608360520 /nfs/dbraw/zinc/36/05/20/608360520.db2.gz JICJXCDXRUOAAL-HIFRSBDPSA-N -1 3 386.358 3.000 20 0 GGADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1nc2ccc(Cl)cc2n1C ZINC000824613314 608361244 /nfs/dbraw/zinc/36/12/44/608361244.db2.gz SZVSEJYTAUJKCM-SNVBAGLBSA-N -1 3 385.834 3.397 20 0 GGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826187830 608362565 /nfs/dbraw/zinc/36/25/65/608362565.db2.gz GEKVSALXONZGSH-ZDUSSCGKSA-N -1 3 382.420 3.121 20 0 GGADHM COc1ccc([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826187830 608362567 /nfs/dbraw/zinc/36/25/67/608362567.db2.gz GEKVSALXONZGSH-ZDUSSCGKSA-N -1 3 382.420 3.121 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(-n2cncn2)cc1 ZINC000826368203 608367923 /nfs/dbraw/zinc/36/79/23/608367923.db2.gz GQQVYVFUISVGEH-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825323125 608369953 /nfs/dbraw/zinc/36/99/53/608369953.db2.gz OYGCIQMKTSXJNY-HNNXBMFYSA-N -1 3 394.479 3.115 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825323125 608369955 /nfs/dbraw/zinc/36/99/55/608369955.db2.gz OYGCIQMKTSXJNY-HNNXBMFYSA-N -1 3 394.479 3.115 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)n1 ZINC000826274202 608371194 /nfs/dbraw/zinc/37/11/94/608371194.db2.gz JYEKHNODELLSRH-UHFFFAOYSA-N -1 3 392.442 3.168 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)n1 ZINC000826274202 608371197 /nfs/dbraw/zinc/37/11/97/608371197.db2.gz JYEKHNODELLSRH-UHFFFAOYSA-N -1 3 392.442 3.168 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824505510 608382964 /nfs/dbraw/zinc/38/29/64/608382964.db2.gz FEGCXKRDCPCHMH-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824505510 608382966 /nfs/dbraw/zinc/38/29/66/608382966.db2.gz FEGCXKRDCPCHMH-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826159092 608393886 /nfs/dbraw/zinc/39/38/86/608393886.db2.gz QGLVICNJPBDRDD-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826159092 608393888 /nfs/dbraw/zinc/39/38/88/608393888.db2.gz QGLVICNJPBDRDD-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM Cc1ccc(-n2cnnc2SCc2cccc(-c3nnn[n-]3)c2F)c(C)c1 ZINC000826280653 608394046 /nfs/dbraw/zinc/39/40/46/608394046.db2.gz KRWHEGDJDMQFSB-UHFFFAOYSA-N -1 3 381.440 3.496 20 0 GGADHM Cc1ccc(-n2cnnc2SCc2cccc(-c3nn[n-]n3)c2F)c(C)c1 ZINC000826280653 608394047 /nfs/dbraw/zinc/39/40/47/608394047.db2.gz KRWHEGDJDMQFSB-UHFFFAOYSA-N -1 3 381.440 3.496 20 0 GGADHM C[C@@](CO)(NCc1cccc(-c2nnn[n-]2)c1F)c1cccc(C(F)(F)F)c1 ZINC000824436166 608395591 /nfs/dbraw/zinc/39/55/91/608395591.db2.gz QDJYOYUSZSSYLX-KRWDZBQOSA-N -1 3 395.360 3.022 20 0 GGADHM C[C@@](CO)(NCc1cccc(-c2nn[n-]n2)c1F)c1cccc(C(F)(F)F)c1 ZINC000824436166 608395593 /nfs/dbraw/zinc/39/55/93/608395593.db2.gz QDJYOYUSZSSYLX-KRWDZBQOSA-N -1 3 395.360 3.022 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429148 608400871 /nfs/dbraw/zinc/40/08/71/608400871.db2.gz VHLLURBJNSSLLS-VQTJNVASSA-N -1 3 386.459 3.222 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429148 608400872 /nfs/dbraw/zinc/40/08/72/608400872.db2.gz VHLLURBJNSSLLS-VQTJNVASSA-N -1 3 386.459 3.222 20 0 GGADHM COC1(C)CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000826144000 608412326 /nfs/dbraw/zinc/41/23/26/608412326.db2.gz ZVBRYQUSUFXNNP-UHFFFAOYSA-N -1 3 390.394 3.022 20 0 GGADHM COC1(C)CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000826144000 608412327 /nfs/dbraw/zinc/41/23/27/608412327.db2.gz ZVBRYQUSUFXNNP-UHFFFAOYSA-N -1 3 390.394 3.022 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](C)c1ccccc1Br ZINC000826184329 608424968 /nfs/dbraw/zinc/42/49/68/608424968.db2.gz SUOLVUDLPLRYCH-LLVKDONJSA-N -1 3 388.269 3.489 20 0 GGADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(OC)cc1 ZINC000825149181 608426082 /nfs/dbraw/zinc/42/60/82/608426082.db2.gz WJCIDYSJIDGHSC-QGZVFWFLSA-N -1 3 391.435 3.166 20 0 GGADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(OC)cc1 ZINC000825149181 608426084 /nfs/dbraw/zinc/42/60/84/608426084.db2.gz WJCIDYSJIDGHSC-QGZVFWFLSA-N -1 3 391.435 3.166 20 0 GGADHM C[C@]1(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCCc2ccccc21 ZINC000824822277 608427714 /nfs/dbraw/zinc/42/77/14/608427714.db2.gz BSRRLCHJJCMGEI-JOCHJYFZSA-N -1 3 375.476 3.210 20 0 GGADHM C[C@]1(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCCc2ccccc21 ZINC000824822277 608427715 /nfs/dbraw/zinc/42/77/15/608427715.db2.gz BSRRLCHJJCMGEI-JOCHJYFZSA-N -1 3 375.476 3.210 20 0 GGADHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000825143468 608430519 /nfs/dbraw/zinc/43/05/19/608430519.db2.gz VMDBHGQNQCQZOW-DLBZAZTESA-N -1 3 385.855 3.475 20 0 GGADHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825143468 608430521 /nfs/dbraw/zinc/43/05/21/608430521.db2.gz VMDBHGQNQCQZOW-DLBZAZTESA-N -1 3 385.855 3.475 20 0 GGADHM C[C@H](NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824564892 608433233 /nfs/dbraw/zinc/43/32/33/608433233.db2.gz XUEVAHDYOQCSPJ-VIFPVBQESA-N -1 3 392.797 3.088 20 0 GGADHM C[C@H](NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824564892 608433236 /nfs/dbraw/zinc/43/32/36/608433236.db2.gz XUEVAHDYOQCSPJ-VIFPVBQESA-N -1 3 392.797 3.088 20 0 GGADHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000825142940 608435052 /nfs/dbraw/zinc/43/50/52/608435052.db2.gz UGZXUFXWIBNXCV-SJORKVTESA-N -1 3 385.855 3.475 20 0 GGADHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000825142940 608435054 /nfs/dbraw/zinc/43/50/54/608435054.db2.gz UGZXUFXWIBNXCV-SJORKVTESA-N -1 3 385.855 3.475 20 0 GGADHM Cc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000826234550 608439396 /nfs/dbraw/zinc/43/93/96/608439396.db2.gz BQMNBLAOJUMANQ-UHFFFAOYSA-N -1 3 397.410 3.154 20 0 GGADHM Cc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000826234550 608439398 /nfs/dbraw/zinc/43/93/98/608439398.db2.gz BQMNBLAOJUMANQ-UHFFFAOYSA-N -1 3 397.410 3.154 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826349602 608441769 /nfs/dbraw/zinc/44/17/69/608441769.db2.gz NSOPHALBWBUYET-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826349602 608441770 /nfs/dbraw/zinc/44/17/70/608441770.db2.gz NSOPHALBWBUYET-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc(-c2cccnc2)n1 ZINC000826269434 608441802 /nfs/dbraw/zinc/44/18/02/608441802.db2.gz LYTZIOOGZZPKIP-UHFFFAOYSA-N -1 3 396.458 3.321 20 0 GGADHM Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc(-c2cccnc2)n1 ZINC000826269434 608441803 /nfs/dbraw/zinc/44/18/03/608441803.db2.gz LYTZIOOGZZPKIP-UHFFFAOYSA-N -1 3 396.458 3.321 20 0 GGADHM OCc1cc2ccccc2nc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826510544 608442971 /nfs/dbraw/zinc/44/29/71/608442971.db2.gz WWKMSODAIIBMJJ-UHFFFAOYSA-N -1 3 384.443 3.201 20 0 GGADHM OCc1cc2ccccc2nc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826510544 608442973 /nfs/dbraw/zinc/44/29/73/608442973.db2.gz WWKMSODAIIBMJJ-UHFFFAOYSA-N -1 3 384.443 3.201 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c(C)nn1 ZINC000826260476 608446295 /nfs/dbraw/zinc/44/62/95/608446295.db2.gz PUJRWLLXWGFPIX-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c(C)nn1 ZINC000826260476 608446297 /nfs/dbraw/zinc/44/62/97/608446297.db2.gz PUJRWLLXWGFPIX-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)C(=O)c1cccc(F)c1 ZINC000824394603 608449172 /nfs/dbraw/zinc/44/91/72/608449172.db2.gz YGRBEQDDZQRVLO-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)C(=O)c1cccc(F)c1 ZINC000824394603 608449173 /nfs/dbraw/zinc/44/91/73/608449173.db2.gz YGRBEQDDZQRVLO-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(OCC(F)(F)F)c1 ZINC000826466853 608454119 /nfs/dbraw/zinc/45/41/19/608454119.db2.gz WGQMXTRBTMEGQL-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(OCC(F)(F)F)c1 ZINC000826466853 608454121 /nfs/dbraw/zinc/45/41/21/608454121.db2.gz WGQMXTRBTMEGQL-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)OCc3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826213716 608457299 /nfs/dbraw/zinc/45/72/99/608457299.db2.gz JLUVNQOXVGORRS-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826213716 608457302 /nfs/dbraw/zinc/45/73/02/608457302.db2.gz JLUVNQOXVGORRS-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM CCOc1ccccc1[C@@H](CC)N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825653644 608458358 /nfs/dbraw/zinc/45/83/58/608458358.db2.gz HFARTAAJVKPRPI-IEBWSBKVSA-N -1 3 395.463 3.220 20 0 GGADHM CCOc1ccccc1[C@@H](CC)N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825653644 608458359 /nfs/dbraw/zinc/45/83/59/608458359.db2.gz HFARTAAJVKPRPI-IEBWSBKVSA-N -1 3 395.463 3.220 20 0 GGADHM Cc1ccc(NC(=O)CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000826290638 608466309 /nfs/dbraw/zinc/46/63/09/608466309.db2.gz SPCPXCIEWAKSAO-UHFFFAOYSA-N -1 3 392.438 3.042 20 0 GGADHM Cc1ccc(NC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826290638 608466311 /nfs/dbraw/zinc/46/63/11/608466311.db2.gz SPCPXCIEWAKSAO-UHFFFAOYSA-N -1 3 392.438 3.042 20 0 GGADHM c1cc(-c2noc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cs1 ZINC000823867468 608466607 /nfs/dbraw/zinc/46/66/07/608466607.db2.gz AKAJYDXRLDLIBX-UHFFFAOYSA-N -1 3 391.460 3.268 20 0 GGADHM CCCCCn1cc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)n1 ZINC000825275911 608472058 /nfs/dbraw/zinc/47/20/58/608472058.db2.gz HMUSOMDSUORBED-UHFFFAOYSA-N -1 3 382.472 3.192 20 0 GGADHM CCCCCn1cc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)n1 ZINC000825275911 608472059 /nfs/dbraw/zinc/47/20/59/608472059.db2.gz HMUSOMDSUORBED-UHFFFAOYSA-N -1 3 382.472 3.192 20 0 GGADHM Cc1nc(C)c(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826324524 608472646 /nfs/dbraw/zinc/47/26/46/608472646.db2.gz VMANHNSFJMVONG-UHFFFAOYSA-N -1 3 381.465 3.261 20 0 GGADHM Cc1nc(C)c(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826324524 608472648 /nfs/dbraw/zinc/47/26/48/608472648.db2.gz VMANHNSFJMVONG-UHFFFAOYSA-N -1 3 381.465 3.261 20 0 GGADHM Fc1ccc(NC(=S)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826375548 608476173 /nfs/dbraw/zinc/47/61/73/608476173.db2.gz SEFBKSUCNUKHNB-UHFFFAOYSA-N -1 3 380.452 3.492 20 0 GGADHM Fc1ccc(NC(=S)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826375548 608476174 /nfs/dbraw/zinc/47/61/74/608476174.db2.gz SEFBKSUCNUKHNB-UHFFFAOYSA-N -1 3 380.452 3.492 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111932 608477628 /nfs/dbraw/zinc/47/76/28/608477628.db2.gz OOFIHFHRVOBFCD-KSSFIOAISA-N -1 3 379.464 3.037 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111932 608477629 /nfs/dbraw/zinc/47/76/29/608477629.db2.gz OOFIHFHRVOBFCD-KSSFIOAISA-N -1 3 379.464 3.037 20 0 GGADHM O=C(c1cc(Cl)c(Cl)[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470319 608479027 /nfs/dbraw/zinc/47/90/27/608479027.db2.gz MAALLUJRTODGBZ-UHFFFAOYSA-N -1 3 389.246 3.431 20 0 GGADHM O=C(c1cc(Cl)c(Cl)[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470319 608479028 /nfs/dbraw/zinc/47/90/28/608479028.db2.gz MAALLUJRTODGBZ-UHFFFAOYSA-N -1 3 389.246 3.431 20 0 GGADHM COc1ccc(C=CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826191024 608480583 /nfs/dbraw/zinc/48/05/83/608480583.db2.gz URMVZTUDRUBLSS-WCIBSUBMSA-N -1 3 387.443 3.204 20 0 GGADHM COc1ccc(C=CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826191024 608480584 /nfs/dbraw/zinc/48/05/84/608480584.db2.gz URMVZTUDRUBLSS-WCIBSUBMSA-N -1 3 387.443 3.204 20 0 GGADHM CCOc1ccc(-c2noc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000825632360 608482252 /nfs/dbraw/zinc/48/22/52/608482252.db2.gz PNLKYMQJIFUTCV-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM CCOc1ccc(-c2noc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000825632360 608482253 /nfs/dbraw/zinc/48/22/53/608482253.db2.gz PNLKYMQJIFUTCV-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM O=C(c1ccc(-c2cnco2)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470881 608482660 /nfs/dbraw/zinc/48/26/60/608482660.db2.gz HALXHTUXSKRJQD-UHFFFAOYSA-N -1 3 398.426 3.451 20 0 GGADHM O=C(c1ccc(-c2cnco2)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470881 608482661 /nfs/dbraw/zinc/48/26/61/608482661.db2.gz HALXHTUXSKRJQD-UHFFFAOYSA-N -1 3 398.426 3.451 20 0 GGADHM O=C(Cc1c(F)cccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826421454 608482666 /nfs/dbraw/zinc/48/26/66/608482666.db2.gz IUBTYMNSIUVBNS-UHFFFAOYSA-N -1 3 381.386 3.003 20 0 GGADHM O=C(Cc1c(F)cccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826421454 608482667 /nfs/dbraw/zinc/48/26/67/608482667.db2.gz IUBTYMNSIUVBNS-UHFFFAOYSA-N -1 3 381.386 3.003 20 0 GGADHM Cc1cc(-c2noc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000826256729 608482821 /nfs/dbraw/zinc/48/28/21/608482821.db2.gz XVSSIBFFPCOHBT-LBPRGKRZSA-N -1 3 379.399 3.215 20 0 GGADHM Cc1cc(-c2noc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000826256729 608482822 /nfs/dbraw/zinc/48/28/22/608482822.db2.gz XVSSIBFFPCOHBT-LBPRGKRZSA-N -1 3 379.399 3.215 20 0 GGADHM CC(C)C[C@H](C)OCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824228756 608484114 /nfs/dbraw/zinc/48/41/14/608484114.db2.gz KJRNYGNMNDXVBZ-INIZCTEOSA-N -1 3 383.496 3.324 20 0 GGADHM CC(C)C[C@H](C)OCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824228756 608484116 /nfs/dbraw/zinc/48/41/16/608484116.db2.gz KJRNYGNMNDXVBZ-INIZCTEOSA-N -1 3 383.496 3.324 20 0 GGADHM O=C(CCOCc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826408174 608485444 /nfs/dbraw/zinc/48/54/44/608485444.db2.gz SOHZQSXPVXICTM-UHFFFAOYSA-N -1 3 389.459 3.089 20 0 GGADHM O=C(CCOCc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826408174 608485445 /nfs/dbraw/zinc/48/54/45/608485445.db2.gz SOHZQSXPVXICTM-UHFFFAOYSA-N -1 3 389.459 3.089 20 0 GGADHM O=C(c1ccc2ccccc2n1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473938 608485624 /nfs/dbraw/zinc/48/56/24/608485624.db2.gz UKELDDWOAUJAJN-UHFFFAOYSA-N -1 3 382.427 3.344 20 0 GGADHM O=C(c1ccc2ccccc2n1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473938 608485625 /nfs/dbraw/zinc/48/56/25/608485625.db2.gz UKELDDWOAUJAJN-UHFFFAOYSA-N -1 3 382.427 3.344 20 0 GGADHM O=C(c1cc2cc(F)ccc2[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470462 608485689 /nfs/dbraw/zinc/48/56/89/608485689.db2.gz QRGFTWIKKMDRBA-UHFFFAOYSA-N -1 3 388.406 3.417 20 0 GGADHM O=C(c1cc2cc(F)ccc2[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470462 608485691 /nfs/dbraw/zinc/48/56/91/608485691.db2.gz QRGFTWIKKMDRBA-UHFFFAOYSA-N -1 3 388.406 3.417 20 0 GGADHM O=C(COc1ccccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826419191 608487317 /nfs/dbraw/zinc/48/73/17/608487317.db2.gz MYZNKYBVUCIHBP-UHFFFAOYSA-N -1 3 395.850 3.215 20 0 GGADHM O=C(COc1ccccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826419191 608487318 /nfs/dbraw/zinc/48/73/18/608487318.db2.gz MYZNKYBVUCIHBP-UHFFFAOYSA-N -1 3 395.850 3.215 20 0 GGADHM O=C([C@H]1CCOc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399566 608487385 /nfs/dbraw/zinc/48/73/85/608487385.db2.gz ZKOROMAVRPPADE-IBGZPJMESA-N -1 3 387.443 3.049 20 0 GGADHM O=C([C@H]1CCOc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399566 608487386 /nfs/dbraw/zinc/48/73/86/608487386.db2.gz ZKOROMAVRPPADE-IBGZPJMESA-N -1 3 387.443 3.049 20 0 GGADHM O=C(c1cc(-c2ccco2)on1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826469860 608489148 /nfs/dbraw/zinc/48/91/48/608489148.db2.gz UVNUTMBTYNWNBB-UHFFFAOYSA-N -1 3 388.387 3.044 20 0 GGADHM O=C(c1cc(-c2ccco2)on1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826469860 608489150 /nfs/dbraw/zinc/48/91/50/608489150.db2.gz UVNUTMBTYNWNBB-UHFFFAOYSA-N -1 3 388.387 3.044 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000825958397 608508930 /nfs/dbraw/zinc/50/89/30/608508930.db2.gz VDCQSVLPANSGGW-UHFFFAOYSA-N -1 3 378.770 3.462 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000825958397 608508931 /nfs/dbraw/zinc/50/89/31/608508931.db2.gz VDCQSVLPANSGGW-UHFFFAOYSA-N -1 3 378.770 3.462 20 0 GGADHM CN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccccc1C(F)(F)F ZINC000825980477 608513427 /nfs/dbraw/zinc/51/34/27/608513427.db2.gz AUGSNWYXRYGVCE-UHFFFAOYSA-N -1 3 387.369 3.165 20 0 GGADHM Cn1c(Cl)nc(Cl)c1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826355620 608519842 /nfs/dbraw/zinc/51/98/42/608519842.db2.gz HNKKSWFWSZXPKP-UHFFFAOYSA-N -1 3 378.267 3.072 20 0 GGADHM Cn1c(Cl)nc(Cl)c1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826355620 608519843 /nfs/dbraw/zinc/51/98/43/608519843.db2.gz HNKKSWFWSZXPKP-UHFFFAOYSA-N -1 3 378.267 3.072 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)cc1OC(F)F ZINC000826192991 608522286 /nfs/dbraw/zinc/52/22/86/608522286.db2.gz LDFZVUGOZNIWQR-UHFFFAOYSA-N -1 3 381.408 3.170 20 0 GGADHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(F)cc1F ZINC000824634250 608527867 /nfs/dbraw/zinc/52/78/67/608527867.db2.gz UKGTYZVLXIGNFA-SNVBAGLBSA-N -1 3 383.362 3.046 20 0 GGADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)cc1F ZINC000824634250 608527869 /nfs/dbraw/zinc/52/78/69/608527869.db2.gz UKGTYZVLXIGNFA-SNVBAGLBSA-N -1 3 383.362 3.046 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000824285134 608529296 /nfs/dbraw/zinc/52/92/96/608529296.db2.gz YRDDEMFMBFNULF-CYBMUJFWSA-N -1 3 379.468 3.088 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000824285134 608529297 /nfs/dbraw/zinc/52/92/97/608529297.db2.gz YRDDEMFMBFNULF-CYBMUJFWSA-N -1 3 379.468 3.088 20 0 GGADHM Clc1ccc(-c2nnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)cc1 ZINC000826351528 608529379 /nfs/dbraw/zinc/52/93/79/608529379.db2.gz QCDQDKULCYXHLJ-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1ccc(-c2nnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)cc1 ZINC000826351528 608529380 /nfs/dbraw/zinc/52/93/80/608529380.db2.gz QCDQDKULCYXHLJ-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM C[C@@H](c1ccccc1Cl)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824770347 608529498 /nfs/dbraw/zinc/52/94/98/608529498.db2.gz JDTXETYPDFSRGZ-ZDUSSCGKSA-N -1 3 388.928 3.460 20 0 GGADHM C[C@@H](c1ccccc1Cl)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824770347 608529499 /nfs/dbraw/zinc/52/94/99/608529499.db2.gz JDTXETYPDFSRGZ-ZDUSSCGKSA-N -1 3 388.928 3.460 20 0 GGADHM Fc1cccc(-c2cnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)c1 ZINC000826376895 608529608 /nfs/dbraw/zinc/52/96/08/608529608.db2.gz XGJUZOAOQYTTGH-UHFFFAOYSA-N -1 3 376.395 3.440 20 0 GGADHM Fc1cccc(-c2cnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)c1 ZINC000826376895 608529610 /nfs/dbraw/zinc/52/96/10/608529610.db2.gz XGJUZOAOQYTTGH-UHFFFAOYSA-N -1 3 376.395 3.440 20 0 GGADHM C[C@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000824564075 608534600 /nfs/dbraw/zinc/53/46/00/608534600.db2.gz REWHLZDDJGQULI-JTQLQIEISA-N -1 3 391.262 3.463 20 0 GGADHM C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)CCC1=O ZINC000824867714 608539143 /nfs/dbraw/zinc/53/91/43/608539143.db2.gz QPYFPFCJPJGXQG-RDJZCZTQSA-N -1 3 389.459 3.405 20 0 GGADHM C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)CCC1=O ZINC000824867714 608539145 /nfs/dbraw/zinc/53/91/45/608539145.db2.gz QPYFPFCJPJGXQG-RDJZCZTQSA-N -1 3 389.459 3.405 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)Nc3sccc3-c3nnn[n-]3)cc2c1 ZINC000826214078 608540088 /nfs/dbraw/zinc/54/00/88/608540088.db2.gz ZDLMSMKFDGIQCV-UHFFFAOYSA-N -1 3 386.824 3.391 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)Nc3sccc3-c3nn[n-]n3)cc2c1 ZINC000826214078 608540089 /nfs/dbraw/zinc/54/00/89/608540089.db2.gz ZDLMSMKFDGIQCV-UHFFFAOYSA-N -1 3 386.824 3.391 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000826456068 608545025 /nfs/dbraw/zinc/54/50/25/608545025.db2.gz OWAXIOQPZJFWAE-UHFFFAOYSA-N -1 3 396.426 3.219 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000826456068 608545027 /nfs/dbraw/zinc/54/50/27/608545027.db2.gz OWAXIOQPZJFWAE-UHFFFAOYSA-N -1 3 396.426 3.219 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000826341819 608559733 /nfs/dbraw/zinc/55/97/33/608559733.db2.gz QWXFOGBEMYEVEL-UWVGGRQHSA-N -1 3 390.394 3.033 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(F)c2F)c(-c2nn[n-]n2)c1C ZINC000826341819 608559735 /nfs/dbraw/zinc/55/97/35/608559735.db2.gz QWXFOGBEMYEVEL-UWVGGRQHSA-N -1 3 390.394 3.033 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1Cl ZINC000820438493 608562956 /nfs/dbraw/zinc/56/29/56/608562956.db2.gz QPQNVBMXEAISND-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1Cl ZINC000820438493 608562958 /nfs/dbraw/zinc/56/29/58/608562958.db2.gz QPQNVBMXEAISND-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM COCCN(Cc1cnc(C2CCC2)s1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826158736 608567182 /nfs/dbraw/zinc/56/71/82/608567182.db2.gz AMRIOVWMLBBPOB-UHFFFAOYSA-N -1 3 384.509 3.239 20 0 GGADHM CCc1nn(C)c(Cl)c1CN(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825760002 608568381 /nfs/dbraw/zinc/56/83/81/608568381.db2.gz RQXCFUDAVSOWAL-UHFFFAOYSA-N -1 3 387.919 3.474 20 0 GGADHM CC(C)(C)c1nc(CC(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000824141626 608569361 /nfs/dbraw/zinc/56/93/61/608569361.db2.gz LFTCJSNZZJBLOD-UHFFFAOYSA-N -1 3 397.508 3.076 20 0 GGADHM CC(C)(C)c1nc(CC(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000824141626 608569363 /nfs/dbraw/zinc/56/93/63/608569363.db2.gz LFTCJSNZZJBLOD-UHFFFAOYSA-N -1 3 397.508 3.076 20 0 GGADHM COc1cccc2sc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)nc21 ZINC000826218046 608573643 /nfs/dbraw/zinc/57/36/43/608573643.db2.gz MSTGRIQXXHJPSE-UHFFFAOYSA-N -1 3 386.824 3.391 20 0 GGADHM COc1cccc2sc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)nc21 ZINC000826218046 608573644 /nfs/dbraw/zinc/57/36/44/608573644.db2.gz MSTGRIQXXHJPSE-UHFFFAOYSA-N -1 3 386.824 3.391 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)n1ccccc1=NC1CCCCC1 ZINC000826473039 608574558 /nfs/dbraw/zinc/57/45/58/608574558.db2.gz HYSATTBXKSGOQK-UHFFFAOYSA-N -1 3 382.855 3.244 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)n1ccccc1=NC1CCCCC1 ZINC000826473039 608574560 /nfs/dbraw/zinc/57/45/60/608574560.db2.gz HYSATTBXKSGOQK-UHFFFAOYSA-N -1 3 382.855 3.244 20 0 GGADHM O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826426803 608588749 /nfs/dbraw/zinc/58/87/49/608588749.db2.gz WVJDKQODDCXUNS-AWEZNQCLSA-N -1 3 379.317 3.429 20 0 GGADHM O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826426803 608588750 /nfs/dbraw/zinc/58/87/50/608588750.db2.gz WVJDKQODDCXUNS-AWEZNQCLSA-N -1 3 379.317 3.429 20 0 GGADHM COc1ccc([C@@H](C)COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187811 608593081 /nfs/dbraw/zinc/59/30/81/608593081.db2.gz FYSPKAVIDOEJGO-AWEZNQCLSA-N -1 3 398.488 3.455 20 0 GGADHM COc1ccc([C@@H](C)COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187811 608593083 /nfs/dbraw/zinc/59/30/83/608593083.db2.gz FYSPKAVIDOEJGO-AWEZNQCLSA-N -1 3 398.488 3.455 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826421923 608593100 /nfs/dbraw/zinc/59/31/00/608593100.db2.gz FXNPLIMEOOPDAO-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826421923 608593106 /nfs/dbraw/zinc/59/31/06/608593106.db2.gz FXNPLIMEOOPDAO-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826486402 608618618 /nfs/dbraw/zinc/61/86/18/608618618.db2.gz BCUYIIHJYULJDP-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826486402 608618620 /nfs/dbraw/zinc/61/86/20/608618620.db2.gz BCUYIIHJYULJDP-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM CN(Cc1ccc(Br)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825965940 608644654 /nfs/dbraw/zinc/64/46/54/608644654.db2.gz INXIYRRZIPNRHY-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826321436 608667587 /nfs/dbraw/zinc/66/75/87/608667587.db2.gz FEKDDSCNQPCWTB-MRXNPFEDSA-N -1 3 380.456 3.356 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826321436 608667588 /nfs/dbraw/zinc/66/75/88/608667588.db2.gz FEKDDSCNQPCWTB-MRXNPFEDSA-N -1 3 380.456 3.356 20 0 GGADHM COc1ccc(-n2ccnc2SCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826186882 608669626 /nfs/dbraw/zinc/66/96/26/608669626.db2.gz NXUJHGLPAYSDRA-UHFFFAOYSA-N -1 3 382.424 3.492 20 0 GGADHM COc1ccc(-n2ccnc2SCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826186882 608669627 /nfs/dbraw/zinc/66/96/27/608669627.db2.gz NXUJHGLPAYSDRA-UHFFFAOYSA-N -1 3 382.424 3.492 20 0 GGADHM O=c1c2ccccc2nc(SCc2cccc(-c3nnn[n-]3)c2F)n1C1CC1 ZINC000826501253 608671374 /nfs/dbraw/zinc/67/13/74/608671374.db2.gz HFKJTCJSBUFZMY-UHFFFAOYSA-N -1 3 394.435 3.343 20 0 GGADHM O=c1c2ccccc2nc(SCc2cccc(-c3nn[n-]n3)c2F)n1C1CC1 ZINC000826501253 608671376 /nfs/dbraw/zinc/67/13/76/608671376.db2.gz HFKJTCJSBUFZMY-UHFFFAOYSA-N -1 3 394.435 3.343 20 0 GGADHM Fc1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1Cl ZINC000826373879 608675202 /nfs/dbraw/zinc/67/52/02/608675202.db2.gz CNHGVGXIASZSAP-AWEZNQCLSA-N -1 3 379.848 3.294 20 0 GGADHM FC(F)Oc1cccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)c1 ZINC000826370045 608745142 /nfs/dbraw/zinc/74/51/42/608745142.db2.gz AZXFYKORPGMAND-AWEZNQCLSA-N -1 3 393.419 3.103 20 0 GGADHM FC(F)Oc1cccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)c1 ZINC000826370045 608745143 /nfs/dbraw/zinc/74/51/43/608745143.db2.gz AZXFYKORPGMAND-AWEZNQCLSA-N -1 3 393.419 3.103 20 0 GGADHM C[C@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520805 608756012 /nfs/dbraw/zinc/75/60/12/608756012.db2.gz FQSDZHQKVHQRKD-ZDUSSCGKSA-N -1 3 393.447 3.313 20 0 GGADHM C[C@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520805 608756013 /nfs/dbraw/zinc/75/60/13/608756013.db2.gz FQSDZHQKVHQRKD-ZDUSSCGKSA-N -1 3 393.447 3.313 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000824113754 608763135 /nfs/dbraw/zinc/76/31/35/608763135.db2.gz BZWNHNREOAWEIV-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000824113754 608763139 /nfs/dbraw/zinc/76/31/39/608763139.db2.gz BZWNHNREOAWEIV-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM O=C(Nc1cccc(CNc2cnccc2-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826456451 608778489 /nfs/dbraw/zinc/77/84/89/608778489.db2.gz FPOJUBUBOJAJGP-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(Nc1cccc(CNc2cnccc2-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826456451 608778492 /nfs/dbraw/zinc/77/84/92/608778492.db2.gz FPOJUBUBOJAJGP-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM CC(C)(C)OC(=O)C1CCC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000824093266 608797698 /nfs/dbraw/zinc/79/76/98/608797698.db2.gz FIUVTSRHBHWNHO-UHFFFAOYSA-N -1 3 384.484 3.063 20 0 GGADHM CC(C)(C)OC(=O)C1CCC(Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000824093266 608797700 /nfs/dbraw/zinc/79/77/00/608797700.db2.gz FIUVTSRHBHWNHO-UHFFFAOYSA-N -1 3 384.484 3.063 20 0 GGADHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824772743 608798456 /nfs/dbraw/zinc/79/84/56/608798456.db2.gz XECHGQMCHYIRGY-AWEZNQCLSA-N -1 3 384.434 3.024 20 0 GGADHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824772743 608798457 /nfs/dbraw/zinc/79/84/57/608798457.db2.gz XECHGQMCHYIRGY-AWEZNQCLSA-N -1 3 384.434 3.024 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000824893262 608808734 /nfs/dbraw/zinc/80/87/34/608808734.db2.gz PTVAVUYQFHQLJV-UKRRQHHQSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000824893262 608808735 /nfs/dbraw/zinc/80/87/35/608808735.db2.gz PTVAVUYQFHQLJV-UKRRQHHQSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824891951 608825502 /nfs/dbraw/zinc/82/55/02/608825502.db2.gz CWKNNVNSASKSAI-UONOGXRCSA-N -1 3 395.488 3.315 20 0 GGADHM C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824891951 608825505 /nfs/dbraw/zinc/82/55/05/608825505.db2.gz CWKNNVNSASKSAI-UONOGXRCSA-N -1 3 395.488 3.315 20 0 GGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825012351 608828175 /nfs/dbraw/zinc/82/81/75/608828175.db2.gz HRRSARMBQZOWHK-KBPBESRZSA-N -1 3 379.439 3.473 20 0 GGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825012351 608828176 /nfs/dbraw/zinc/82/81/76/608828176.db2.gz HRRSARMBQZOWHK-KBPBESRZSA-N -1 3 379.439 3.473 20 0 GGADHM CCc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000825712217 608828229 /nfs/dbraw/zinc/82/82/29/608828229.db2.gz NXYFFIJBQAXXDQ-UHFFFAOYSA-N -1 3 392.463 3.485 20 0 GGADHM CCc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000825712217 608828231 /nfs/dbraw/zinc/82/82/31/608828231.db2.gz NXYFFIJBQAXXDQ-UHFFFAOYSA-N -1 3 392.463 3.485 20 0 GGADHM Cc1cc(C)cc(C2=CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264104 608829002 /nfs/dbraw/zinc/82/90/02/608829002.db2.gz CAPHIGZTCLGMRJ-UHFFFAOYSA-N -1 3 388.475 3.211 20 0 GGADHM Cc1n[nH]c2cc(NC(=O)[C@@H](Oc3ccccc3-c3nn[n-]n3)C(C)C)ccc12 ZINC000826322561 608829233 /nfs/dbraw/zinc/82/92/33/608829233.db2.gz RVTWHTHMGCHNAN-SFHVURJKSA-N -1 3 391.435 3.094 20 0 GGADHM COc1cccc2cc(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)oc21 ZINC000826217771 608850933 /nfs/dbraw/zinc/85/09/33/608850933.db2.gz BMWTUWIMBDBJNP-LJQANCHMSA-N -1 3 391.431 3.195 20 0 GGADHM CC(C)COc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824272128 608852810 /nfs/dbraw/zinc/85/28/10/608852810.db2.gz UKOIOABVOIVLNM-OAQYLSRUSA-N -1 3 393.491 3.475 20 0 GGADHM CC(C)(C)Oc1cc(F)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824119333 608859612 /nfs/dbraw/zinc/85/96/12/608859612.db2.gz FQIYRXUHDKADCN-UHFFFAOYSA-N -1 3 381.415 3.443 20 0 GGADHM CC(C)(C)Oc1cc(F)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824119333 608859613 /nfs/dbraw/zinc/85/96/13/608859613.db2.gz FQIYRXUHDKADCN-UHFFFAOYSA-N -1 3 381.415 3.443 20 0 GGADHM Cc1ccc(Br)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826281112 608861544 /nfs/dbraw/zinc/86/15/44/608861544.db2.gz FNWITSHQUHBLIY-UHFFFAOYSA-N -1 3 384.241 3.197 20 0 GGADHM Cc1ccc(Br)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826281112 608861545 /nfs/dbraw/zinc/86/15/45/608861545.db2.gz FNWITSHQUHBLIY-UHFFFAOYSA-N -1 3 384.241 3.197 20 0 GGADHM Clc1cccc(-n2cc(CNc3ccc(-c4nn[n-]n4)cc3)nn2)c1Cl ZINC000826353169 608868789 /nfs/dbraw/zinc/86/87/89/608868789.db2.gz DYFMHGVOVNHCQP-UHFFFAOYSA-N -1 3 387.234 3.366 20 0 GGADHM c1nc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)nn1-c1ccccc1 ZINC000826519922 608886498 /nfs/dbraw/zinc/88/64/98/608886498.db2.gz UJSKXKAEDCPKHG-UHFFFAOYSA-N -1 3 390.476 3.014 20 0 GGADHM c1nc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)nn1-c1ccccc1 ZINC000826519922 608886501 /nfs/dbraw/zinc/88/65/01/608886501.db2.gz UJSKXKAEDCPKHG-UHFFFAOYSA-N -1 3 390.476 3.014 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000825971489 608887822 /nfs/dbraw/zinc/88/78/22/608887822.db2.gz IUSGFCIXNYJIIG-UHFFFAOYSA-N -1 3 393.447 3.094 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000825971489 608887824 /nfs/dbraw/zinc/88/78/24/608887824.db2.gz IUSGFCIXNYJIIG-UHFFFAOYSA-N -1 3 393.447 3.094 20 0 GGADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)C(F)(F)F)cc1 ZINC000826189369 609139260 /nfs/dbraw/zinc/13/92/60/609139260.db2.gz UKVCMDPXITZEGX-HNNXBMFYSA-N -1 3 391.353 3.217 20 0 GGADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)C(F)(F)F)cc1 ZINC000826189369 609139262 /nfs/dbraw/zinc/13/92/62/609139262.db2.gz UKVCMDPXITZEGX-HNNXBMFYSA-N -1 3 391.353 3.217 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826422380 609141480 /nfs/dbraw/zinc/14/14/80/609141480.db2.gz WTPDXZXCPLKBDH-HNNXBMFYSA-N -1 3 397.307 3.107 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826422380 609141482 /nfs/dbraw/zinc/14/14/82/609141482.db2.gz WTPDXZXCPLKBDH-HNNXBMFYSA-N -1 3 397.307 3.107 20 0 GGADHM C[C@@H]1CC(C)(C)c2ccccc2N1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824876374 609142325 /nfs/dbraw/zinc/14/23/25/609142325.db2.gz RXUWLDRBIDJWHB-GFCCVEGCSA-N -1 3 382.493 3.443 20 0 GGADHM C[C@@H]1CC(C)(C)c2ccccc2N1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824876374 609142327 /nfs/dbraw/zinc/14/23/27/609142327.db2.gz RXUWLDRBIDJWHB-GFCCVEGCSA-N -1 3 382.493 3.443 20 0 GGADHM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532244 609148905 /nfs/dbraw/zinc/14/89/05/609148905.db2.gz SZBPBLBABMCKRI-OLZOCXBDSA-N -1 3 393.426 3.391 20 0 GGADHM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824532244 609148906 /nfs/dbraw/zinc/14/89/06/609148906.db2.gz SZBPBLBABMCKRI-OLZOCXBDSA-N -1 3 393.426 3.391 20 0 GGADHM Cc1cc(C(=O)N(C)[C@H](C)c2cccs2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257099 609149072 /nfs/dbraw/zinc/14/90/72/609149072.db2.gz NKOSVMYBNRWNNQ-CYBMUJFWSA-N -1 3 393.476 3.256 20 0 GGADHM Cc1cc(C(=O)N(C)[C@H](C)c2cccs2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257099 609149075 /nfs/dbraw/zinc/14/90/75/609149075.db2.gz NKOSVMYBNRWNNQ-CYBMUJFWSA-N -1 3 393.476 3.256 20 0 GGADHM CSc1ccccc1CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826230627 609156489 /nfs/dbraw/zinc/15/64/89/609156489.db2.gz BUPRKKKFQBGMRS-UHFFFAOYSA-N -1 3 399.545 3.181 20 0 GGADHM CSc1ccccc1CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826230627 609156491 /nfs/dbraw/zinc/15/64/91/609156491.db2.gz BUPRKKKFQBGMRS-UHFFFAOYSA-N -1 3 399.545 3.181 20 0 GGADHM COC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000826143600 609157784 /nfs/dbraw/zinc/15/77/84/609157784.db2.gz HTDVSCQZRUWBAI-UHFFFAOYSA-N -1 3 394.435 3.350 20 0 GGADHM COC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000826143600 609157786 /nfs/dbraw/zinc/15/77/86/609157786.db2.gz HTDVSCQZRUWBAI-UHFFFAOYSA-N -1 3 394.435 3.350 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccc(C)cc1 ZINC000826280636 609163265 /nfs/dbraw/zinc/16/32/65/609163265.db2.gz JQORDRUHSWCVIG-OAHLLOKOSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(C)cc1 ZINC000826280636 609163267 /nfs/dbraw/zinc/16/32/67/609163267.db2.gz JQORDRUHSWCVIG-OAHLLOKOSA-N -1 3 387.447 3.160 20 0 GGADHM Brc1cncc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000823832827 609164994 /nfs/dbraw/zinc/16/49/94/609164994.db2.gz VZSCCXHRLNSIHH-UHFFFAOYSA-N -1 3 397.240 3.026 20 0 GGADHM Brc1cncc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000823832827 609164995 /nfs/dbraw/zinc/16/49/95/609164995.db2.gz VZSCCXHRLNSIHH-UHFFFAOYSA-N -1 3 397.240 3.026 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)COC2CCCC2)c1-c1nnn[n-]1 ZINC000826233550 609165770 /nfs/dbraw/zinc/16/57/70/609165770.db2.gz LXLORQRZPRYQJL-UHFFFAOYSA-N -1 3 380.452 3.172 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)COC2CCCC2)c1-c1nn[n-]n1 ZINC000826233550 609165771 /nfs/dbraw/zinc/16/57/71/609165771.db2.gz LXLORQRZPRYQJL-UHFFFAOYSA-N -1 3 380.452 3.172 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826233479 609167470 /nfs/dbraw/zinc/16/74/70/609167470.db2.gz JBDJEDLHRGSKTA-HNNXBMFYSA-N -1 3 380.452 3.029 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826233479 609167472 /nfs/dbraw/zinc/16/74/72/609167472.db2.gz JBDJEDLHRGSKTA-HNNXBMFYSA-N -1 3 380.452 3.029 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826233459 609167836 /nfs/dbraw/zinc/16/78/36/609167836.db2.gz ICIKNSOYEWTGHY-IUODEOHRSA-N -1 3 380.452 3.028 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826233459 609167838 /nfs/dbraw/zinc/16/78/38/609167838.db2.gz ICIKNSOYEWTGHY-IUODEOHRSA-N -1 3 380.452 3.028 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)COc2ccccc2)c1-c1nnn[n-]1 ZINC000826233507 609168286 /nfs/dbraw/zinc/16/82/86/609168286.db2.gz KJVFBCKTEOQILY-UHFFFAOYSA-N -1 3 388.431 3.292 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)COc2ccccc2)c1-c1nn[n-]n1 ZINC000826233507 609168288 /nfs/dbraw/zinc/16/82/88/609168288.db2.gz KJVFBCKTEOQILY-UHFFFAOYSA-N -1 3 388.431 3.292 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826233793 609168303 /nfs/dbraw/zinc/16/83/03/609168303.db2.gz WFJVMPGYGKUMIE-SJKOYZFVSA-N -1 3 392.463 3.218 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826233793 609168305 /nfs/dbraw/zinc/16/83/05/609168305.db2.gz WFJVMPGYGKUMIE-SJKOYZFVSA-N -1 3 392.463 3.218 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCCC[C@@H]3C3CC3)cc2-c2nnn[n-]2)CC1 ZINC000826507081 609168381 /nfs/dbraw/zinc/16/83/81/609168381.db2.gz IINZZDAREODQHO-MJGOQNOKSA-N -1 3 382.512 3.209 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCCC[C@@H]3C3CC3)cc2-c2nn[n-]n2)CC1 ZINC000826507081 609168383 /nfs/dbraw/zinc/16/83/83/609168383.db2.gz IINZZDAREODQHO-MJGOQNOKSA-N -1 3 382.512 3.209 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC000826233864 609168447 /nfs/dbraw/zinc/16/84/47/609168447.db2.gz YHXMCXZVNZDZGR-LBPRGKRZSA-N -1 3 391.262 3.407 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC000826233864 609168449 /nfs/dbraw/zinc/16/84/49/609168449.db2.gz YHXMCXZVNZDZGR-LBPRGKRZSA-N -1 3 391.262 3.407 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C1CCOCC1 ZINC000823826073 609168890 /nfs/dbraw/zinc/16/88/90/609168890.db2.gz BTUNDOJNYYLSDP-AWEZNQCLSA-N -1 3 378.274 3.025 20 0 GGADHM O=C1CCCN1CC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000826480721 609174832 /nfs/dbraw/zinc/17/48/32/609174832.db2.gz NNMWANWQJDLWFQ-AWEZNQCLSA-N -1 3 394.504 3.045 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000825476794 609177387 /nfs/dbraw/zinc/17/73/87/609177387.db2.gz WRUVFZJBXFWLEK-INIZCTEOSA-N -1 3 397.870 3.169 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000825480578 609178569 /nfs/dbraw/zinc/17/85/69/609178569.db2.gz BZKSKGRMDCLHCE-FQEVSTJZSA-N -1 3 393.495 3.224 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cnc2c(cnn2C(C)C)c1 ZINC000825481361 609179642 /nfs/dbraw/zinc/17/96/42/609179642.db2.gz XYWUGJNJVARLST-UHFFFAOYSA-N -1 3 377.456 3.236 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1COc1cccc(C(F)(F)F)n1 ZINC000826369442 609181271 /nfs/dbraw/zinc/18/12/71/609181271.db2.gz CWZSXJQVKUPLJT-UHFFFAOYSA-N -1 3 387.268 3.461 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1COc1cccc(C(F)(F)F)n1 ZINC000826369442 609181272 /nfs/dbraw/zinc/18/12/72/609181272.db2.gz CWZSXJQVKUPLJT-UHFFFAOYSA-N -1 3 387.268 3.461 20 0 GGADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC000824470022 609184030 /nfs/dbraw/zinc/18/40/30/609184030.db2.gz FBIAPBVVWVEPBH-VFZGTOFNSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000824470022 609184032 /nfs/dbraw/zinc/18/40/32/609184032.db2.gz FBIAPBVVWVEPBH-VFZGTOFNSA-N -1 3 392.246 3.084 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cccc(-c3nnn[n-]3)c1)[C@H](C)C2 ZINC000826294509 609195547 /nfs/dbraw/zinc/19/55/47/609195547.db2.gz TYPOGUAXCZJUOX-KUHUBIRLSA-N -1 3 376.464 3.250 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cccc(-c3nn[n-]n3)c1)[C@H](C)C2 ZINC000826294509 609195549 /nfs/dbraw/zinc/19/55/49/609195549.db2.gz TYPOGUAXCZJUOX-KUHUBIRLSA-N -1 3 376.464 3.250 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824087257 609200613 /nfs/dbraw/zinc/20/06/13/609200613.db2.gz RUHVRGAKGMCXTM-ROUUACIJSA-N -1 3 397.454 3.333 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824087257 609200614 /nfs/dbraw/zinc/20/06/14/609200614.db2.gz RUHVRGAKGMCXTM-ROUUACIJSA-N -1 3 397.454 3.333 20 0 GGADHM CCC(CC)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000825096359 609208795 /nfs/dbraw/zinc/20/87/95/609208795.db2.gz MNVCLCUALMOKBH-DLBZAZTESA-N -1 3 385.493 3.255 20 0 GGADHM CCC(CC)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000825096359 609208797 /nfs/dbraw/zinc/20/87/97/609208797.db2.gz MNVCLCUALMOKBH-DLBZAZTESA-N -1 3 385.493 3.255 20 0 GGADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826208494 609215919 /nfs/dbraw/zinc/21/59/19/609215919.db2.gz NEBODWGZISIVGS-CQSZACIVSA-N -1 3 388.859 3.374 20 0 GGADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826208494 609215921 /nfs/dbraw/zinc/21/59/21/609215921.db2.gz NEBODWGZISIVGS-CQSZACIVSA-N -1 3 388.859 3.374 20 0 GGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826454577 609218695 /nfs/dbraw/zinc/21/86/95/609218695.db2.gz BGPNBUPIQNLHMD-IBGZPJMESA-N -1 3 392.463 3.283 20 0 GGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826454577 609218696 /nfs/dbraw/zinc/21/86/96/609218696.db2.gz BGPNBUPIQNLHMD-IBGZPJMESA-N -1 3 392.463 3.283 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000826398458 609220194 /nfs/dbraw/zinc/22/01/94/609220194.db2.gz XMIAEKCHHIPTCL-NRFANRHFSA-N -1 3 397.438 3.110 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000826398458 609220196 /nfs/dbraw/zinc/22/01/96/609220196.db2.gz XMIAEKCHHIPTCL-NRFANRHFSA-N -1 3 397.438 3.110 20 0 GGADHM CCCCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825267996 609222286 /nfs/dbraw/zinc/22/22/86/609222286.db2.gz POMPEGBWHHNXEM-RTBURBONSA-N -1 3 379.464 3.338 20 0 GGADHM CCCCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825267996 609222287 /nfs/dbraw/zinc/22/22/87/609222287.db2.gz POMPEGBWHHNXEM-RTBURBONSA-N -1 3 379.464 3.338 20 0 GGADHM CC(C)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000824192269 609230659 /nfs/dbraw/zinc/23/06/59/609230659.db2.gz IWHGKIQUTKJBPC-DLBZAZTESA-N -1 3 385.855 3.067 20 0 GGADHM CC(C)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000824192269 609230661 /nfs/dbraw/zinc/23/06/61/609230661.db2.gz IWHGKIQUTKJBPC-DLBZAZTESA-N -1 3 385.855 3.067 20 0 GGADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427606 609231550 /nfs/dbraw/zinc/23/15/50/609231550.db2.gz VJMALGXJEZZSER-CQSZACIVSA-N -1 3 376.342 3.095 20 0 GGADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427606 609231552 /nfs/dbraw/zinc/23/15/52/609231552.db2.gz VJMALGXJEZZSER-CQSZACIVSA-N -1 3 376.342 3.095 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000824235611 609232539 /nfs/dbraw/zinc/23/25/39/609232539.db2.gz IWMKLDHMYXDOFQ-LSDHHAIUSA-N -1 3 389.504 3.138 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000824235611 609232541 /nfs/dbraw/zinc/23/25/41/609232541.db2.gz IWMKLDHMYXDOFQ-LSDHHAIUSA-N -1 3 389.504 3.138 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826185379 609234072 /nfs/dbraw/zinc/23/40/72/609234072.db2.gz IPMFQKJCKLSCKL-LLVKDONJSA-N -1 3 399.838 3.376 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824898307 609238019 /nfs/dbraw/zinc/23/80/19/609238019.db2.gz DYERDPLAERRLPY-SZZJOZGLSA-N -1 3 397.866 3.067 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000824898307 609238021 /nfs/dbraw/zinc/23/80/21/609238021.db2.gz DYERDPLAERRLPY-SZZJOZGLSA-N -1 3 397.866 3.067 20 0 GGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2ccc(F)cc2F)CCC1 ZINC000826426644 609239443 /nfs/dbraw/zinc/23/94/43/609239443.db2.gz SJPFPPPJOIERDP-UHFFFAOYSA-N -1 3 381.386 3.156 20 0 GGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2ccc(F)cc2F)CCC1 ZINC000826426644 609239444 /nfs/dbraw/zinc/23/94/44/609239444.db2.gz SJPFPPPJOIERDP-UHFFFAOYSA-N -1 3 381.386 3.156 20 0 GGADHM CC(C)[C@H]1CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824216394 609239721 /nfs/dbraw/zinc/23/97/21/609239721.db2.gz QVSYDCJKPJKRAM-IEBWSBKVSA-N -1 3 384.528 3.455 20 0 GGADHM CC(C)[C@H]1CCCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824216394 609239723 /nfs/dbraw/zinc/23/97/23/609239723.db2.gz QVSYDCJKPJKRAM-IEBWSBKVSA-N -1 3 384.528 3.455 20 0 GGADHM C[C@@H](CSC(C)(C)C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824449658 609239759 /nfs/dbraw/zinc/23/97/59/609239759.db2.gz OKYWDATXHVIYJD-ZDUSSCGKSA-N -1 3 390.557 3.160 20 0 GGADHM C[C@@H](CSC(C)(C)C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824449658 609239761 /nfs/dbraw/zinc/23/97/61/609239761.db2.gz OKYWDATXHVIYJD-ZDUSSCGKSA-N -1 3 390.557 3.160 20 0 GGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(Cl)nc1 ZINC000824657516 609241742 /nfs/dbraw/zinc/24/17/42/609241742.db2.gz QSDAXOXEACUVMU-LBPRGKRZSA-N -1 3 399.886 3.049 20 0 GGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(Cl)nc1 ZINC000824657516 609241744 /nfs/dbraw/zinc/24/17/44/609241744.db2.gz QSDAXOXEACUVMU-LBPRGKRZSA-N -1 3 399.886 3.049 20 0 GGADHM Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c1)CC2 ZINC000826294337 609243184 /nfs/dbraw/zinc/24/31/84/609243184.db2.gz OSVBNXAFNOQOCE-HXUWFJFHSA-N -1 3 390.491 3.236 20 0 GGADHM Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c1)CC2 ZINC000826294337 609243187 /nfs/dbraw/zinc/24/31/87/609243187.db2.gz OSVBNXAFNOQOCE-HXUWFJFHSA-N -1 3 390.491 3.236 20 0 GGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826236633 609244216 /nfs/dbraw/zinc/24/42/16/609244216.db2.gz VNKXZCZQEHZEGP-SFHVURJKSA-N -1 3 395.463 3.162 20 0 GGADHM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826236633 609244218 /nfs/dbraw/zinc/24/42/18/609244218.db2.gz VNKXZCZQEHZEGP-SFHVURJKSA-N -1 3 395.463 3.162 20 0 GGADHM c1cn(CCc2ccncc2)nc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826515717 609244923 /nfs/dbraw/zinc/24/49/23/609244923.db2.gz INHIOUJOYUOFAM-LJQANCHMSA-N -1 3 386.463 3.190 20 0 GGADHM c1cn(CCc2ccncc2)nc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826515717 609244924 /nfs/dbraw/zinc/24/49/24/609244924.db2.gz INHIOUJOYUOFAM-LJQANCHMSA-N -1 3 386.463 3.190 20 0 GGADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824385271 609246352 /nfs/dbraw/zinc/24/63/52/609246352.db2.gz PDTIAJDRCPYXQK-LBPRGKRZSA-N -1 3 384.823 3.472 20 0 GGADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824385271 609246354 /nfs/dbraw/zinc/24/63/54/609246354.db2.gz PDTIAJDRCPYXQK-LBPRGKRZSA-N -1 3 384.823 3.472 20 0 GGADHM C[C@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662476 609246935 /nfs/dbraw/zinc/24/69/35/609246935.db2.gz LGBKLPVMJUEYIY-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662476 609246937 /nfs/dbraw/zinc/24/69/37/609246937.db2.gz LGBKLPVMJUEYIY-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824716669 609256357 /nfs/dbraw/zinc/25/63/57/609256357.db2.gz ZYDGNOFAIQLFBE-SCLBCKFNSA-N -1 3 381.411 3.279 20 0 GGADHM CC(C)Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc(=O)[nH]1 ZINC000824275485 609258241 /nfs/dbraw/zinc/25/82/41/609258241.db2.gz UMFLJFZYPDJDCH-UHFFFAOYSA-N -1 3 396.451 3.205 20 0 GGADHM CC(C)Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc(=O)[nH]1 ZINC000824275485 609258244 /nfs/dbraw/zinc/25/82/44/609258244.db2.gz UMFLJFZYPDJDCH-UHFFFAOYSA-N -1 3 396.451 3.205 20 0 GGADHM COCC[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000826154625 609263988 /nfs/dbraw/zinc/26/39/88/609263988.db2.gz UAWRYYJYLMCIRR-LBPRGKRZSA-N -1 3 396.234 3.274 20 0 GGADHM COCC[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000826154625 609263989 /nfs/dbraw/zinc/26/39/89/609263989.db2.gz UAWRYYJYLMCIRR-LBPRGKRZSA-N -1 3 396.234 3.274 20 0 GGADHM Fc1ccc(Cc2nnc(NCc3ccc(-c4nnn[n-]4)cc3F)s2)cc1 ZINC000826375056 609266335 /nfs/dbraw/zinc/26/63/35/609266335.db2.gz XQFWLOYIVZOFAQ-UHFFFAOYSA-N -1 3 385.403 3.199 20 0 GGADHM Fc1ccc(Cc2nnc(NCc3ccc(-c4nn[n-]n4)cc3F)s2)cc1 ZINC000826375056 609266337 /nfs/dbraw/zinc/26/63/37/609266337.db2.gz XQFWLOYIVZOFAQ-UHFFFAOYSA-N -1 3 385.403 3.199 20 0 GGADHM CC[C@H](C)[C@@H]1NC(=O)N(c2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000825680193 609273874 /nfs/dbraw/zinc/27/38/74/609273874.db2.gz XBXPDMOVSFVJFH-SJCJKPOMSA-N -1 3 392.419 3.130 20 0 GGADHM CC[C@H](C)[C@@H]1NC(=O)N(c2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000825680193 609273875 /nfs/dbraw/zinc/27/38/75/609273875.db2.gz XBXPDMOVSFVJFH-SJCJKPOMSA-N -1 3 392.419 3.130 20 0 GGADHM C[C@@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662550 609277597 /nfs/dbraw/zinc/27/75/97/609277597.db2.gz MSLDSPVPTGMVAH-LLVKDONJSA-N -1 3 386.456 3.146 20 0 GGADHM C[C@@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662550 609277599 /nfs/dbraw/zinc/27/75/99/609277599.db2.gz MSLDSPVPTGMVAH-LLVKDONJSA-N -1 3 386.456 3.146 20 0 GGADHM Fc1ccc(CCNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1F ZINC000826374348 609279129 /nfs/dbraw/zinc/27/91/29/609279129.db2.gz WAUMGAWVALRBHP-UHFFFAOYSA-N -1 3 385.353 3.124 20 0 GGADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824993017 609280143 /nfs/dbraw/zinc/28/01/43/609280143.db2.gz OPXDYOHXYCHJOT-KFWWJZLASA-N -1 3 379.468 3.048 20 0 GGADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824993017 609280145 /nfs/dbraw/zinc/28/01/45/609280145.db2.gz OPXDYOHXYCHJOT-KFWWJZLASA-N -1 3 379.468 3.048 20 0 GGADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1C(=O)N(C)C ZINC000826291848 609280368 /nfs/dbraw/zinc/28/03/68/609280368.db2.gz YVYUODHSQDSIOE-LJQANCHMSA-N -1 3 376.464 3.366 20 0 GGADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1C(=O)N(C)C ZINC000826291848 609280370 /nfs/dbraw/zinc/28/03/70/609280370.db2.gz YVYUODHSQDSIOE-LJQANCHMSA-N -1 3 376.464 3.366 20 0 GGADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826290193 609280610 /nfs/dbraw/zinc/28/06/10/609280610.db2.gz FFNMUTWRGNKMHD-LBPRGKRZSA-N -1 3 382.399 3.444 20 0 GGADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826290193 609280613 /nfs/dbraw/zinc/28/06/13/609280613.db2.gz FFNMUTWRGNKMHD-LBPRGKRZSA-N -1 3 382.399 3.444 20 0 GGADHM CC(C)(C)[C@H](NCc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccccc1 ZINC000824129983 609282164 /nfs/dbraw/zinc/28/21/64/609282164.db2.gz GBXUCHCRUFAWOZ-GOSISDBHSA-N -1 3 379.464 3.114 20 0 GGADHM CC(C)(C)[C@H](NCc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccc1 ZINC000824129983 609282165 /nfs/dbraw/zinc/28/21/65/609282165.db2.gz GBXUCHCRUFAWOZ-GOSISDBHSA-N -1 3 379.464 3.114 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000826191705 609282680 /nfs/dbraw/zinc/28/26/80/609282680.db2.gz NNAPKLSPULGVAN-KBPBESRZSA-N -1 3 396.447 3.367 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826191705 609282682 /nfs/dbraw/zinc/28/26/82/609282682.db2.gz NNAPKLSPULGVAN-KBPBESRZSA-N -1 3 396.447 3.367 20 0 GGADHM Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000826267573 609284369 /nfs/dbraw/zinc/28/43/69/609284369.db2.gz LRGACPIGDJENFA-GOSISDBHSA-N -1 3 397.866 3.351 20 0 GGADHM Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1C ZINC000826267573 609284370 /nfs/dbraw/zinc/28/43/70/609284370.db2.gz LRGACPIGDJENFA-GOSISDBHSA-N -1 3 397.866 3.351 20 0 GGADHM C[C@@H](OCCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824729036 609286295 /nfs/dbraw/zinc/28/62/95/609286295.db2.gz IARZQAZKTQPTAI-CYBMUJFWSA-N -1 3 385.855 3.418 20 0 GGADHM C[C@@H](OCCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824729036 609286296 /nfs/dbraw/zinc/28/62/96/609286296.db2.gz IARZQAZKTQPTAI-CYBMUJFWSA-N -1 3 385.855 3.418 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1OC ZINC000826188009 609288572 /nfs/dbraw/zinc/28/85/72/609288572.db2.gz KVMSACLKESGKBO-SNVBAGLBSA-N -1 3 387.827 3.028 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1OC ZINC000826188009 609288573 /nfs/dbraw/zinc/28/85/73/609288573.db2.gz KVMSACLKESGKBO-SNVBAGLBSA-N -1 3 387.827 3.028 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC000824978479 609289600 /nfs/dbraw/zinc/28/96/00/609289600.db2.gz WBYZGHGBRDQMLT-YVEFUNNKSA-N -1 3 383.839 3.122 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)O1 ZINC000824978479 609289602 /nfs/dbraw/zinc/28/96/02/609289602.db2.gz WBYZGHGBRDQMLT-YVEFUNNKSA-N -1 3 383.839 3.122 20 0 GGADHM Fc1cccc(N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1-c1nnn[n-]1 ZINC000826377191 609293254 /nfs/dbraw/zinc/29/32/54/609293254.db2.gz IITXXSFGXWGDMX-CQSZACIVSA-N -1 3 390.426 3.175 20 0 GGADHM Fc1cccc(N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1-c1nn[n-]n1 ZINC000826377191 609293256 /nfs/dbraw/zinc/29/32/56/609293256.db2.gz IITXXSFGXWGDMX-CQSZACIVSA-N -1 3 390.426 3.175 20 0 GGADHM CC1(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CCCCCC1 ZINC000824776533 609293516 /nfs/dbraw/zinc/29/35/16/609293516.db2.gz CDHDQCSEIDDDJL-UHFFFAOYSA-N -1 3 382.512 3.266 20 0 GGADHM CC1(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CCCCCC1 ZINC000824776533 609293517 /nfs/dbraw/zinc/29/35/17/609293517.db2.gz CDHDQCSEIDDDJL-UHFFFAOYSA-N -1 3 382.512 3.266 20 0 GGADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000511933556 609293725 /nfs/dbraw/zinc/29/37/25/609293725.db2.gz ZMISNOQMGDHWNY-UHFFFAOYSA-N -1 3 399.410 3.359 20 0 GGADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000511933556 609293727 /nfs/dbraw/zinc/29/37/27/609293727.db2.gz ZMISNOQMGDHWNY-UHFFFAOYSA-N -1 3 399.410 3.359 20 0 GGADHM Fc1cccc(N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1-c1nnn[n-]1 ZINC000826377190 609293814 /nfs/dbraw/zinc/29/38/14/609293814.db2.gz IITXXSFGXWGDMX-AWEZNQCLSA-N -1 3 390.426 3.175 20 0 GGADHM Fc1cccc(N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1-c1nn[n-]n1 ZINC000826377190 609293815 /nfs/dbraw/zinc/29/38/15/609293815.db2.gz IITXXSFGXWGDMX-AWEZNQCLSA-N -1 3 390.426 3.175 20 0 GGADHM CSc1ccccc1COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826231737 609294261 /nfs/dbraw/zinc/29/42/61/609294261.db2.gz XULPPWGZANZEKO-UHFFFAOYSA-N -1 3 384.461 3.489 20 0 GGADHM CSc1ccccc1COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826231737 609294263 /nfs/dbraw/zinc/29/42/63/609294263.db2.gz XULPPWGZANZEKO-UHFFFAOYSA-N -1 3 384.461 3.489 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1cccc(SC(F)(F)F)c1 ZINC000826358305 609294715 /nfs/dbraw/zinc/29/47/15/609294715.db2.gz OERBZNJHZQPZJE-UHFFFAOYSA-N -1 3 383.355 3.174 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1cccc(SC(F)(F)F)c1 ZINC000826358305 609294717 /nfs/dbraw/zinc/29/47/17/609294717.db2.gz OERBZNJHZQPZJE-UHFFFAOYSA-N -1 3 383.355 3.174 20 0 GGADHM Cc1nscc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826339938 609295877 /nfs/dbraw/zinc/29/58/77/609295877.db2.gz ACWGLDBIGWJNCZ-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1nscc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826339938 609295879 /nfs/dbraw/zinc/29/58/79/609295879.db2.gz ACWGLDBIGWJNCZ-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM COc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c2cccnc12 ZINC000826209658 609298100 /nfs/dbraw/zinc/29/81/00/609298100.db2.gz LBRAXGUGVXVPTG-UHFFFAOYSA-N -1 3 380.795 3.329 20 0 GGADHM COc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c2cccnc12 ZINC000826209658 609298101 /nfs/dbraw/zinc/29/81/01/609298101.db2.gz LBRAXGUGVXVPTG-UHFFFAOYSA-N -1 3 380.795 3.329 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826473242 609302179 /nfs/dbraw/zinc/30/21/79/609302179.db2.gz PVGAZKJKQDDPFY-MAUKXSAKSA-N -1 3 397.866 3.248 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826473242 609302181 /nfs/dbraw/zinc/30/21/81/609302181.db2.gz PVGAZKJKQDDPFY-MAUKXSAKSA-N -1 3 397.866 3.248 20 0 GGADHM Cc1cc(Br)ccc1C[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826256574 609302819 /nfs/dbraw/zinc/30/28/19/609302819.db2.gz PYEVAMMZOYQCSL-QHCPKHFHSA-N -1 3 391.294 3.387 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nn1-c1ccc(Cl)cc1 ZINC000826260302 609302678 /nfs/dbraw/zinc/30/26/78/609302678.db2.gz HFSKEFCEGGUXJG-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nn1-c1ccc(Cl)cc1 ZINC000826260302 609302681 /nfs/dbraw/zinc/30/26/81/609302681.db2.gz HFSKEFCEGGUXJG-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(Br)ccc1C[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826256574 609302821 /nfs/dbraw/zinc/30/28/21/609302821.db2.gz PYEVAMMZOYQCSL-QHCPKHFHSA-N -1 3 391.294 3.387 20 0 GGADHM Cc1nnc(SCCC(=O)Nc2cccc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826336734 609306027 /nfs/dbraw/zinc/30/60/27/609306027.db2.gz LITXODGGLQGXSN-UHFFFAOYSA-N -1 3 389.872 3.048 20 0 GGADHM Cc1nnc(SCCC(=O)Nc2cccc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826336734 609306029 /nfs/dbraw/zinc/30/60/29/609306029.db2.gz LITXODGGLQGXSN-UHFFFAOYSA-N -1 3 389.872 3.048 20 0 GGADHM Cc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000826336967 609308831 /nfs/dbraw/zinc/30/88/31/609308831.db2.gz WHKXYLUSNXYUSF-UHFFFAOYSA-N -1 3 394.382 3.267 20 0 GGADHM Cc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000826336967 609308832 /nfs/dbraw/zinc/30/88/32/609308832.db2.gz WHKXYLUSNXYUSF-UHFFFAOYSA-N -1 3 394.382 3.267 20 0 GGADHM Cc1nnc(SCc2ncc(-c3ccccc3F)o2)c(-c2nnn[n-]2)c1C ZINC000826337572 609309169 /nfs/dbraw/zinc/30/91/69/609309169.db2.gz SZUAZKPIHDTNOD-UHFFFAOYSA-N -1 3 383.412 3.360 20 0 GGADHM Cc1nnc(SCc2ncc(-c3ccccc3F)o2)c(-c2nn[n-]n2)c1C ZINC000826337572 609309171 /nfs/dbraw/zinc/30/91/71/609309171.db2.gz SZUAZKPIHDTNOD-UHFFFAOYSA-N -1 3 383.412 3.360 20 0 GGADHM Fc1cccc2c1OCCC[C@@H]2NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000826378183 609311427 /nfs/dbraw/zinc/31/14/27/609311427.db2.gz YXQLKJWFZWIUTK-AWEZNQCLSA-N -1 3 384.440 3.206 20 0 GGADHM Fc1cccc2c1OCCC[C@@H]2NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000826378183 609311429 /nfs/dbraw/zinc/31/14/29/609311429.db2.gz YXQLKJWFZWIUTK-AWEZNQCLSA-N -1 3 384.440 3.206 20 0 GGADHM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427164 609312149 /nfs/dbraw/zinc/31/21/49/609312149.db2.gz HVTLMHOAFMLRON-HNNXBMFYSA-N -1 3 386.337 3.381 20 0 GGADHM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427164 609312151 /nfs/dbraw/zinc/31/21/51/609312151.db2.gz HVTLMHOAFMLRON-HNNXBMFYSA-N -1 3 386.337 3.381 20 0 GGADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(N2CCCC2)n1 ZINC000826288380 609312932 /nfs/dbraw/zinc/31/29/32/609312932.db2.gz DNQJYZSLYAIDFF-UHFFFAOYSA-N -1 3 386.463 3.331 20 0 GGADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(N2CCCC2)n1 ZINC000826288380 609312933 /nfs/dbraw/zinc/31/29/33/609312933.db2.gz DNQJYZSLYAIDFF-UHFFFAOYSA-N -1 3 386.463 3.331 20 0 GGADHM CN(Cc1cscn1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825992141 609314383 /nfs/dbraw/zinc/31/43/83/609314383.db2.gz QRADSDWZKSXQIV-UHFFFAOYSA-N -1 3 392.444 3.388 20 0 GGADHM CN(Cc1cscn1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825992141 609314384 /nfs/dbraw/zinc/31/43/84/609314384.db2.gz QRADSDWZKSXQIV-UHFFFAOYSA-N -1 3 392.444 3.388 20 0 GGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000825082178 609315801 /nfs/dbraw/zinc/31/58/01/609315801.db2.gz QYQJYAOZNJEWKG-SECBINFHSA-N -1 3 391.382 3.196 20 0 GGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000825082178 609315803 /nfs/dbraw/zinc/31/58/03/609315803.db2.gz QYQJYAOZNJEWKG-SECBINFHSA-N -1 3 391.382 3.196 20 0 GGADHM Fc1cccc(-n2ccc(NCc3cc(F)c(F)c(F)c3)n2)c1-c1nnn[n-]1 ZINC000826372198 609320009 /nfs/dbraw/zinc/32/00/09/609320009.db2.gz MCPSXMAPABPYHX-UHFFFAOYSA-N -1 3 389.316 3.221 20 0 GGADHM Fc1cccc(-n2ccc(NCc3cnc4ccccc4c3)n2)c1-c1nnn[n-]1 ZINC000826376392 609320696 /nfs/dbraw/zinc/32/06/96/609320696.db2.gz BRSQTBYDVLVQPB-UHFFFAOYSA-N -1 3 386.394 3.352 20 0 GGADHM CN(C[C@@H]1CCCC[C@@H]1O)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000825908485 609325494 /nfs/dbraw/zinc/32/54/94/609325494.db2.gz IIVHHYBACLGBBU-HZMBPMFUSA-N -1 3 390.850 3.195 20 0 GGADHM CN(C[C@@H]1CCCC[C@@H]1O)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000825908485 609325496 /nfs/dbraw/zinc/32/54/96/609325496.db2.gz IIVHHYBACLGBBU-HZMBPMFUSA-N -1 3 390.850 3.195 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1CSCc1nc(C2CC2)no1 ZINC000823821441 609328115 /nfs/dbraw/zinc/32/81/15/609328115.db2.gz UHCKGTFJAVICOB-UHFFFAOYSA-N -1 3 393.270 3.323 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CSCc1nc(C2CC2)no1 ZINC000823821441 609328117 /nfs/dbraw/zinc/32/81/17/609328117.db2.gz UHCKGTFJAVICOB-UHFFFAOYSA-N -1 3 393.270 3.323 20 0 GGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826145622 609335583 /nfs/dbraw/zinc/33/55/83/609335583.db2.gz JYOOHTYLCPWADJ-PBHICJAKSA-N -1 3 393.447 3.204 20 0 GGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826145622 609335584 /nfs/dbraw/zinc/33/55/84/609335584.db2.gz JYOOHTYLCPWADJ-PBHICJAKSA-N -1 3 393.447 3.204 20 0 GGADHM CCOc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825643445 609337363 /nfs/dbraw/zinc/33/73/63/609337363.db2.gz OBOPSHCTPXLAIV-UHFFFAOYSA-N -1 3 393.426 3.417 20 0 GGADHM CCOc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825643445 609337365 /nfs/dbraw/zinc/33/73/65/609337365.db2.gz OBOPSHCTPXLAIV-UHFFFAOYSA-N -1 3 393.426 3.417 20 0 GGADHM Cn1cc(CNc2cccc(OC(F)F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362106 609337877 /nfs/dbraw/zinc/33/78/77/609337877.db2.gz DEKDLFOLAKSRIX-UHFFFAOYSA-N -1 3 397.389 3.481 20 0 GGADHM Cn1cc(CNc2cccc(OC(F)F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362106 609337879 /nfs/dbraw/zinc/33/78/79/609337879.db2.gz DEKDLFOLAKSRIX-UHFFFAOYSA-N -1 3 397.389 3.481 20 0 GGADHM Cc1ccc(C=CS(=O)(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826286088 609338314 /nfs/dbraw/zinc/33/83/14/609338314.db2.gz RTXXGPOLVAUYLB-HJWRWDBZSA-N -1 3 375.841 3.241 20 0 GGADHM Cc1ccc(C=CS(=O)(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826286088 609338317 /nfs/dbraw/zinc/33/83/17/609338317.db2.gz RTXXGPOLVAUYLB-HJWRWDBZSA-N -1 3 375.841 3.241 20 0 GGADHM CC(C)CCO[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824249758 609344163 /nfs/dbraw/zinc/34/41/63/609344163.db2.gz TVIILTJAKNWSMX-NSHDSACASA-N -1 3 397.273 3.124 20 0 GGADHM CC(C)CCO[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824249758 609344164 /nfs/dbraw/zinc/34/41/64/609344164.db2.gz TVIILTJAKNWSMX-NSHDSACASA-N -1 3 397.273 3.124 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1cccc(Cl)n1 ZINC000826464633 609345247 /nfs/dbraw/zinc/34/52/47/609345247.db2.gz GBFWGIHAIVNAGK-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(Cl)n1 ZINC000826464633 609345249 /nfs/dbraw/zinc/34/52/49/609345249.db2.gz GBFWGIHAIVNAGK-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)[C@@H]1Cc2ccccc21 ZINC000826464615 609346737 /nfs/dbraw/zinc/34/67/37/609346737.db2.gz FIBCPNBCQHELEB-CQSZACIVSA-N -1 3 385.221 3.012 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)[C@@H]1Cc2ccccc21 ZINC000826464615 609346739 /nfs/dbraw/zinc/34/67/39/609346739.db2.gz FIBCPNBCQHELEB-CQSZACIVSA-N -1 3 385.221 3.012 20 0 GGADHM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658392 609348993 /nfs/dbraw/zinc/34/89/93/609348993.db2.gz WRSLXEBXVAJYKI-UONOGXRCSA-N -1 3 382.443 3.404 20 0 GGADHM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658392 609348996 /nfs/dbraw/zinc/34/89/96/609348996.db2.gz WRSLXEBXVAJYKI-UONOGXRCSA-N -1 3 382.443 3.404 20 0 GGADHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658390 609349184 /nfs/dbraw/zinc/34/91/84/609349184.db2.gz WRSLXEBXVAJYKI-KBPBESRZSA-N -1 3 382.443 3.404 20 0 GGADHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658390 609349186 /nfs/dbraw/zinc/34/91/86/609349186.db2.gz WRSLXEBXVAJYKI-KBPBESRZSA-N -1 3 382.443 3.404 20 0 GGADHM CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000825471641 609349843 /nfs/dbraw/zinc/34/98/43/609349843.db2.gz ZPTLPMWEHSJFEZ-LBPRGKRZSA-N -1 3 395.442 3.271 20 0 GGADHM CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000825471641 609349844 /nfs/dbraw/zinc/34/98/44/609349844.db2.gz ZPTLPMWEHSJFEZ-LBPRGKRZSA-N -1 3 395.442 3.271 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826419355 609350366 /nfs/dbraw/zinc/35/03/66/609350366.db2.gz TWWCXXNVSPJOBA-SFHVURJKSA-N -1 3 377.448 3.293 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826419355 609350368 /nfs/dbraw/zinc/35/03/68/609350368.db2.gz TWWCXXNVSPJOBA-SFHVURJKSA-N -1 3 377.448 3.293 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826419016 609350434 /nfs/dbraw/zinc/35/04/34/609350434.db2.gz GOTDPEHDQAJMBT-KRWDZBQOSA-N -1 3 393.422 3.137 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826419016 609350436 /nfs/dbraw/zinc/35/04/36/609350436.db2.gz GOTDPEHDQAJMBT-KRWDZBQOSA-N -1 3 393.422 3.137 20 0 GGADHM Cc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(N2CCCC2)n1 ZINC000826288332 609351811 /nfs/dbraw/zinc/35/18/11/609351811.db2.gz BNXUSJPYIJEFST-CQSZACIVSA-N -1 3 381.459 3.160 20 0 GGADHM Cc1ccnc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826308642 609351965 /nfs/dbraw/zinc/35/19/65/609351965.db2.gz IYNKEHRNQZIVFQ-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1ccnc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826308642 609351968 /nfs/dbraw/zinc/35/19/68/609351968.db2.gz IYNKEHRNQZIVFQ-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1nnc([C@@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)o1 ZINC000826335176 609352023 /nfs/dbraw/zinc/35/20/23/609352023.db2.gz BQKNPKJFKOBVRQ-LLVKDONJSA-N -1 3 392.375 3.268 20 0 GGADHM Cc1nnc([C@@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)o1 ZINC000826335176 609352026 /nfs/dbraw/zinc/35/20/26/609352026.db2.gz BQKNPKJFKOBVRQ-LLVKDONJSA-N -1 3 392.375 3.268 20 0 GGADHM CC1CCC(N(C)C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC000824915823 609357956 /nfs/dbraw/zinc/35/79/56/609357956.db2.gz IOPKECSTLOWFQM-UHFFFAOYSA-N -1 3 398.446 3.234 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000823820535 609362424 /nfs/dbraw/zinc/36/24/24/609362424.db2.gz GWKUPHNMTPPEEN-HNNXBMFYSA-N -1 3 388.273 3.080 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000823820535 609362426 /nfs/dbraw/zinc/36/24/26/609362426.db2.gz GWKUPHNMTPPEEN-HNNXBMFYSA-N -1 3 388.273 3.080 20 0 GGADHM Cc1ccc(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826291276 609363840 /nfs/dbraw/zinc/36/38/40/609363840.db2.gz XQDIZWOESYKRID-UHFFFAOYSA-N -1 3 378.371 3.144 20 0 GGADHM FC(F)(F)C1=CCN(Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000826367422 609366881 /nfs/dbraw/zinc/36/68/81/609366881.db2.gz YLAPQMQFDUEBEX-UHFFFAOYSA-N -1 3 388.191 3.324 20 0 GGADHM FC(F)(F)C1=CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826367422 609366884 /nfs/dbraw/zinc/36/68/84/609366884.db2.gz YLAPQMQFDUEBEX-UHFFFAOYSA-N -1 3 388.191 3.324 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CCO1 ZINC000824216901 609370436 /nfs/dbraw/zinc/37/04/36/609370436.db2.gz WXFQBXGWIMWGHN-AAEUAGOBSA-N -1 3 375.498 3.197 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CCO1 ZINC000824216901 609370441 /nfs/dbraw/zinc/37/04/41/609370441.db2.gz WXFQBXGWIMWGHN-AAEUAGOBSA-N -1 3 375.498 3.197 20 0 GGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CCO1 ZINC000824216903 609370575 /nfs/dbraw/zinc/37/05/75/609370575.db2.gz WXFQBXGWIMWGHN-WCQYABFASA-N -1 3 375.498 3.197 20 0 GGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CCO1 ZINC000824216903 609370577 /nfs/dbraw/zinc/37/05/77/609370577.db2.gz WXFQBXGWIMWGHN-WCQYABFASA-N -1 3 375.498 3.197 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@@H]2CCC(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000825576665 609371566 /nfs/dbraw/zinc/37/15/66/609371566.db2.gz NCYRVLITEFJWTE-SNVBAGLBSA-N -1 3 377.470 3.178 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@@H]2CCC(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000825576665 609371568 /nfs/dbraw/zinc/37/15/68/609371568.db2.gz NCYRVLITEFJWTE-SNVBAGLBSA-N -1 3 377.470 3.178 20 0 GGADHM COC(=O)[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000826112363 609374020 /nfs/dbraw/zinc/37/40/20/609374020.db2.gz YSUWPPZBCYFZEV-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000826112363 609374023 /nfs/dbraw/zinc/37/40/23/609374023.db2.gz YSUWPPZBCYFZEV-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM CC(C)CCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824249950 609377932 /nfs/dbraw/zinc/37/79/32/609377932.db2.gz ZJPWKCUUTNQZAQ-UHFFFAOYSA-N -1 3 395.463 3.452 20 0 GGADHM CC(C)CCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824249950 609377936 /nfs/dbraw/zinc/37/79/36/609377936.db2.gz ZJPWKCUUTNQZAQ-UHFFFAOYSA-N -1 3 395.463 3.452 20 0 GGADHM CCCCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825291404 609378934 /nfs/dbraw/zinc/37/89/34/609378934.db2.gz QSVBPPDLXWOJNX-UHFFFAOYSA-N -1 3 381.436 3.206 20 0 GGADHM CCCCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825291404 609378937 /nfs/dbraw/zinc/37/89/37/609378937.db2.gz QSVBPPDLXWOJNX-UHFFFAOYSA-N -1 3 381.436 3.206 20 0 GGADHM Cc1ccc(F)cc1C(=O)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826289653 609379609 /nfs/dbraw/zinc/37/96/09/609379609.db2.gz HWKIFJXIPKHOGG-UHFFFAOYSA-N -1 3 395.438 3.182 20 0 GGADHM Cc1ccc(F)cc1C(=O)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826289653 609379612 /nfs/dbraw/zinc/37/96/12/609379612.db2.gz HWKIFJXIPKHOGG-UHFFFAOYSA-N -1 3 395.438 3.182 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000825183366 609380888 /nfs/dbraw/zinc/38/08/88/609380888.db2.gz OEHLVDZCDNRWAB-ZYHUDNBSSA-N -1 3 381.383 3.002 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000825183366 609380890 /nfs/dbraw/zinc/38/08/90/609380890.db2.gz OEHLVDZCDNRWAB-ZYHUDNBSSA-N -1 3 381.383 3.002 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(OC3CCCC3)nc2)s1 ZINC000825694565 609380899 /nfs/dbraw/zinc/38/08/99/609380899.db2.gz UNTYVNYLCXYWJQ-UHFFFAOYSA-N -1 3 384.465 3.459 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(OC3CCCC3)nc2)s1 ZINC000825694565 609380901 /nfs/dbraw/zinc/38/09/01/609380901.db2.gz UNTYVNYLCXYWJQ-UHFFFAOYSA-N -1 3 384.465 3.459 20 0 GGADHM O=C(CNc1c(F)cc(Cl)cc1Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826412782 609381391 /nfs/dbraw/zinc/38/13/91/609381391.db2.gz CTPWFDWZYFSELP-UHFFFAOYSA-N -1 3 395.225 3.041 20 0 GGADHM O=C(CNc1c(F)cc(Cl)cc1Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826412782 609381394 /nfs/dbraw/zinc/38/13/94/609381394.db2.gz CTPWFDWZYFSELP-UHFFFAOYSA-N -1 3 395.225 3.041 20 0 GGADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000824723013 609385902 /nfs/dbraw/zinc/38/59/02/609385902.db2.gz MCXYMIKYWMJATJ-UONOGXRCSA-N -1 3 380.404 3.241 20 0 GGADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000824723013 609385904 /nfs/dbraw/zinc/38/59/04/609385904.db2.gz MCXYMIKYWMJATJ-UONOGXRCSA-N -1 3 380.404 3.241 20 0 GGADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826328476 609386706 /nfs/dbraw/zinc/38/67/06/609386706.db2.gz SEQPZVIXEWZEQO-ZDUSSCGKSA-N -1 3 391.435 3.419 20 0 GGADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826328476 609386709 /nfs/dbraw/zinc/38/67/09/609386709.db2.gz SEQPZVIXEWZEQO-ZDUSSCGKSA-N -1 3 391.435 3.419 20 0 GGADHM C[C@@H]1C[C@@H](COC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCO1 ZINC000824882605 609388019 /nfs/dbraw/zinc/38/80/19/609388019.db2.gz CJXWQHJDNZFOQL-KGLIPLIRSA-N -1 3 398.419 3.011 20 0 GGADHM C[C@@H]1C[C@@H](COC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCO1 ZINC000824882605 609388022 /nfs/dbraw/zinc/38/80/22/609388022.db2.gz CJXWQHJDNZFOQL-KGLIPLIRSA-N -1 3 398.419 3.011 20 0 GGADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825080864 609390660 /nfs/dbraw/zinc/39/06/60/609390660.db2.gz CEHCOTLTWQDLRU-GJZGRUSLSA-N -1 3 395.463 3.186 20 0 GGADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825080864 609390661 /nfs/dbraw/zinc/39/06/61/609390661.db2.gz CEHCOTLTWQDLRU-GJZGRUSLSA-N -1 3 395.463 3.186 20 0 GGADHM O=C(NCc1ccc(F)cn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826442066 609391719 /nfs/dbraw/zinc/39/17/19/609391719.db2.gz HZKHOKASJFMDCD-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM O=C(NCc1ccc(F)cn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826442066 609391720 /nfs/dbraw/zinc/39/17/20/609391720.db2.gz HZKHOKASJFMDCD-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM CC[C@@](C)(CCO)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825044393 609396010 /nfs/dbraw/zinc/39/60/10/609396010.db2.gz PQBXDVVKHVQEGT-NRFANRHFSA-N -1 3 395.463 3.248 20 0 GGADHM CC[C@@](C)(CCO)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825044393 609396013 /nfs/dbraw/zinc/39/60/13/609396013.db2.gz PQBXDVVKHVQEGT-NRFANRHFSA-N -1 3 395.463 3.248 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OC2CCCC2)nc1 ZINC000826453161 609396256 /nfs/dbraw/zinc/39/62/56/609396256.db2.gz YOWMYPSWNREOCB-UHFFFAOYSA-N -1 3 384.827 3.489 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OC2CCCC2)nc1 ZINC000826453161 609396258 /nfs/dbraw/zinc/39/62/58/609396258.db2.gz YOWMYPSWNREOCB-UHFFFAOYSA-N -1 3 384.827 3.489 20 0 GGADHM CC[C@](C)(CCO)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825044394 609396441 /nfs/dbraw/zinc/39/64/41/609396441.db2.gz PQBXDVVKHVQEGT-OAQYLSRUSA-N -1 3 395.463 3.248 20 0 GGADHM CC[C@](C)(CCO)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825044394 609396443 /nfs/dbraw/zinc/39/64/43/609396443.db2.gz PQBXDVVKHVQEGT-OAQYLSRUSA-N -1 3 395.463 3.248 20 0 GGADHM O=C(NCc1ccccc1N1CCCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826443624 609401498 /nfs/dbraw/zinc/40/14/98/609401498.db2.gz XAVAGEZBWIMYTR-UHFFFAOYSA-N -1 3 398.417 3.065 20 0 GGADHM O=C(NCc1ccccc1N1CCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826443624 609401500 /nfs/dbraw/zinc/40/15/00/609401500.db2.gz XAVAGEZBWIMYTR-UHFFFAOYSA-N -1 3 398.417 3.065 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000824223752 609401865 /nfs/dbraw/zinc/40/18/65/609401865.db2.gz LMQZPOKQTZVLAV-LJQANCHMSA-N -1 3 393.447 3.156 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824223752 609401867 /nfs/dbraw/zinc/40/18/67/609401867.db2.gz LMQZPOKQTZVLAV-LJQANCHMSA-N -1 3 393.447 3.156 20 0 GGADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000825106450 609402457 /nfs/dbraw/zinc/40/24/57/609402457.db2.gz CPPDZUGQOXYGJS-CZUORRHYSA-N -1 3 377.876 3.234 20 0 GGADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000825106450 609402460 /nfs/dbraw/zinc/40/24/60/609402460.db2.gz CPPDZUGQOXYGJS-CZUORRHYSA-N -1 3 377.876 3.234 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000824216712 609402682 /nfs/dbraw/zinc/40/26/82/609402682.db2.gz VJLVHKPYKJMOOG-OXQOHEQNSA-N -1 3 395.507 3.324 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCO1 ZINC000824216712 609402685 /nfs/dbraw/zinc/40/26/85/609402685.db2.gz VJLVHKPYKJMOOG-OXQOHEQNSA-N -1 3 395.507 3.324 20 0 GGADHM CC[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000825182645 609404201 /nfs/dbraw/zinc/40/42/01/609404201.db2.gz LKBGNFTVDVSWNN-HNAYVOBHSA-N -1 3 381.480 3.078 20 0 GGADHM CC[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCO1 ZINC000825182645 609404205 /nfs/dbraw/zinc/40/42/05/609404205.db2.gz LKBGNFTVDVSWNN-HNAYVOBHSA-N -1 3 381.480 3.078 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000825332575 609414043 /nfs/dbraw/zinc/41/40/43/609414043.db2.gz IVIDDXWCCVTWFY-KBXCAEBGSA-N -1 3 386.500 3.468 20 0 GGADHM O=C1[C@H](Nc2ccc3ncsc3c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477348 609414427 /nfs/dbraw/zinc/41/44/27/609414427.db2.gz AMMVCFMEJPKLPO-MRXNPFEDSA-N -1 3 391.460 3.084 20 0 GGADHM O=C1[C@H](Nc2ccc3ncsc3c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477348 609414429 /nfs/dbraw/zinc/41/44/29/609414429.db2.gz AMMVCFMEJPKLPO-MRXNPFEDSA-N -1 3 391.460 3.084 20 0 GGADHM O=C1[C@@H](Oc2ccc(Cl)cc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477949 609417739 /nfs/dbraw/zinc/41/77/39/609417739.db2.gz QASGKLUXEOFDSV-INIZCTEOSA-N -1 3 387.802 3.234 20 0 GGADHM O=C1[C@@H](Oc2ccc(Cl)cc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477949 609417741 /nfs/dbraw/zinc/41/77/41/609417741.db2.gz QASGKLUXEOFDSV-INIZCTEOSA-N -1 3 387.802 3.234 20 0 GGADHM O=C1[C@H](Sc2cc(F)ccc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478047 609420253 /nfs/dbraw/zinc/42/02/53/609420253.db2.gz SQCWGXXVKIUGRS-OAHLLOKOSA-N -1 3 387.415 3.433 20 0 GGADHM O=C1[C@H](Sc2cc(F)ccc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478047 609420255 /nfs/dbraw/zinc/42/02/55/609420255.db2.gz SQCWGXXVKIUGRS-OAHLLOKOSA-N -1 3 387.415 3.433 20 0 GGADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456560 609430848 /nfs/dbraw/zinc/43/08/48/609430848.db2.gz LUKUDYGGBQPLGJ-UHFFFAOYSA-N -1 3 378.367 3.165 20 0 GGADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456560 609430849 /nfs/dbraw/zinc/43/08/49/609430849.db2.gz LUKUDYGGBQPLGJ-UHFFFAOYSA-N -1 3 378.367 3.165 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(N(C)C)nc3ccccc32)s1 ZINC000825694688 609435065 /nfs/dbraw/zinc/43/50/65/609435065.db2.gz ZNJSQFWQSYHVFG-UHFFFAOYSA-N -1 3 393.476 3.357 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(N(C)C)nc3ccccc32)s1 ZINC000825694688 609435068 /nfs/dbraw/zinc/43/50/68/609435068.db2.gz ZNJSQFWQSYHVFG-UHFFFAOYSA-N -1 3 393.476 3.357 20 0 GGADHM Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cn2)cc1C ZINC000826292586 609437948 /nfs/dbraw/zinc/43/79/48/609437948.db2.gz BOPRBPLCDYTQNR-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cn2)cc1C ZINC000826292586 609437950 /nfs/dbraw/zinc/43/79/50/609437950.db2.gz BOPRBPLCDYTQNR-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826441238 609438589 /nfs/dbraw/zinc/43/85/89/609438589.db2.gz VPWYRQOJEDPGSI-INIZCTEOSA-N -1 3 394.454 3.485 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826441238 609438591 /nfs/dbraw/zinc/43/85/91/609438591.db2.gz VPWYRQOJEDPGSI-INIZCTEOSA-N -1 3 394.454 3.485 20 0 GGADHM CC(C)Nc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824304592 609438754 /nfs/dbraw/zinc/43/87/54/609438754.db2.gz CAWBDETXBGNHMZ-UHFFFAOYSA-N -1 3 394.414 3.488 20 0 GGADHM CC(C)Nc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824304592 609438757 /nfs/dbraw/zinc/43/87/57/609438757.db2.gz CAWBDETXBGNHMZ-UHFFFAOYSA-N -1 3 394.414 3.488 20 0 GGADHM Cc1nc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)sc1Cc1ccccc1Cl ZINC000826327000 609441519 /nfs/dbraw/zinc/44/15/19/609441519.db2.gz OCDNPUZEJDJARH-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM Cc1nc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)sc1Cc1ccccc1Cl ZINC000826327000 609441521 /nfs/dbraw/zinc/44/15/21/609441521.db2.gz OCDNPUZEJDJARH-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM Fc1ccccc1OCCNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826378734 609446639 /nfs/dbraw/zinc/44/66/39/609446639.db2.gz YFRIQSOVHMQKSY-UHFFFAOYSA-N -1 3 399.817 3.336 20 0 GGADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2ncc(C3CC3)o2)n1 ZINC000826350927 609447061 /nfs/dbraw/zinc/44/70/61/609447061.db2.gz QLYDKDKIPWQYLW-UHFFFAOYSA-N -1 3 382.815 3.183 20 0 GGADHM CC(C)n1ccnc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824377272 609447489 /nfs/dbraw/zinc/44/74/89/609447489.db2.gz ANRULQZTBBJTMB-UHFFFAOYSA-N -1 3 383.847 3.095 20 0 GGADHM CC(C)n1ccnc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824377272 609447491 /nfs/dbraw/zinc/44/74/91/609447491.db2.gz ANRULQZTBBJTMB-UHFFFAOYSA-N -1 3 383.847 3.095 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc(SC(C)(C)C)c1 ZINC000826186446 609450601 /nfs/dbraw/zinc/45/06/01/609450601.db2.gz SJKMSXFXKMRENU-UHFFFAOYSA-N -1 3 384.465 3.413 20 0 GGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c2c1 ZINC000826268023 609450669 /nfs/dbraw/zinc/45/06/69/609450669.db2.gz HCJPMUTWIGCORO-UHFFFAOYSA-N -1 3 378.367 3.129 20 0 GGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c2c1 ZINC000826268023 609450671 /nfs/dbraw/zinc/45/06/71/609450671.db2.gz HCJPMUTWIGCORO-UHFFFAOYSA-N -1 3 378.367 3.129 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824498680 609452040 /nfs/dbraw/zinc/45/20/40/609452040.db2.gz JJIWCQPFVNQKNW-SJKOYZFVSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824498680 609452042 /nfs/dbraw/zinc/45/20/42/609452042.db2.gz JJIWCQPFVNQKNW-SJKOYZFVSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824498684 609452497 /nfs/dbraw/zinc/45/24/97/609452497.db2.gz JJIWCQPFVNQKNW-YVEFUNNKSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824498684 609452498 /nfs/dbraw/zinc/45/24/98/609452498.db2.gz JJIWCQPFVNQKNW-YVEFUNNKSA-N -1 3 396.426 3.280 20 0 GGADHM NC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000826389351 609453538 /nfs/dbraw/zinc/45/35/38/609453538.db2.gz VZZSXWRAGBEKHJ-ZDUSSCGKSA-N -1 3 397.357 3.343 20 0 GGADHM NC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000826389351 609453540 /nfs/dbraw/zinc/45/35/40/609453540.db2.gz VZZSXWRAGBEKHJ-ZDUSSCGKSA-N -1 3 397.357 3.343 20 0 GGADHM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455440 609453805 /nfs/dbraw/zinc/45/38/05/609453805.db2.gz OFKNYEQCFOGLNI-UHFFFAOYSA-N -1 3 381.783 3.288 20 0 GGADHM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455440 609453806 /nfs/dbraw/zinc/45/38/06/609453806.db2.gz OFKNYEQCFOGLNI-UHFFFAOYSA-N -1 3 381.783 3.288 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(Cc2ccccc2)CCCC1 ZINC000826422549 609457878 /nfs/dbraw/zinc/45/78/78/609457878.db2.gz CUTUJBLUJWBPTD-UHFFFAOYSA-N -1 3 375.476 3.329 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(Cc2ccccc2)CCCC1 ZINC000826422549 609457880 /nfs/dbraw/zinc/45/78/80/609457880.db2.gz CUTUJBLUJWBPTD-UHFFFAOYSA-N -1 3 375.476 3.329 20 0 GGADHM c1ccn2c(c1)nc(NCCc1ccc(N3CCCCC3)cc1)c2-c1nnn[n-]1 ZINC000826525124 609463260 /nfs/dbraw/zinc/46/32/60/609463260.db2.gz XQYQQKRUAMOASS-UHFFFAOYSA-N -1 3 388.479 3.159 20 0 GGADHM c1ccn2c(c1)nc(NCCc1ccc(N3CCCCC3)cc1)c2-c1nn[n-]n1 ZINC000826525124 609463263 /nfs/dbraw/zinc/46/32/63/609463263.db2.gz XQYQQKRUAMOASS-UHFFFAOYSA-N -1 3 388.479 3.159 20 0 GGADHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456595 609464300 /nfs/dbraw/zinc/46/43/00/609464300.db2.gz NMUASWXQFSRVHS-MUUNZHRXSA-N -1 3 398.492 3.029 20 0 GGADHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456595 609464303 /nfs/dbraw/zinc/46/43/03/609464303.db2.gz NMUASWXQFSRVHS-MUUNZHRXSA-N -1 3 398.492 3.029 20 0 GGADHM c1ccc([C@@H]2OCCC[C@H]2CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826520138 609465545 /nfs/dbraw/zinc/46/55/45/609465545.db2.gz BFUFJHALVWGECQ-YJBOKZPZSA-N -1 3 375.436 3.094 20 0 GGADHM c1ccc([C@@H]2OCCC[C@H]2CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826520138 609465547 /nfs/dbraw/zinc/46/55/47/609465547.db2.gz BFUFJHALVWGECQ-YJBOKZPZSA-N -1 3 375.436 3.094 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000825972031 609467132 /nfs/dbraw/zinc/46/71/32/609467132.db2.gz SEGWFXRAVOPPGX-KRWDZBQOSA-N -1 3 396.426 3.061 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000825972031 609467133 /nfs/dbraw/zinc/46/71/33/609467133.db2.gz SEGWFXRAVOPPGX-KRWDZBQOSA-N -1 3 396.426 3.061 20 0 GGADHM O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1sccc1-c1nn[n-]n1 ZINC000826420862 609473627 /nfs/dbraw/zinc/47/36/27/609473627.db2.gz GLIWHHFAXHLEKX-UHFFFAOYSA-N -1 3 391.869 3.189 20 0 GGADHM Cc1c(NCc2cccc(-c3nnn[n-]3)c2F)cccc1C(=O)N1CCCC1 ZINC000826242553 609476634 /nfs/dbraw/zinc/47/66/34/609476634.db2.gz UJGWTIMTPYMOFM-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM Cc1c(NCc2cccc(-c3nn[n-]n3)c2F)cccc1C(=O)N1CCCC1 ZINC000826242553 609476636 /nfs/dbraw/zinc/47/66/36/609476636.db2.gz UJGWTIMTPYMOFM-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM O=C(c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F)N1CCCCC1 ZINC000826474315 609477647 /nfs/dbraw/zinc/47/76/47/609477647.db2.gz KTXCJNWUNXSOQG-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM O=C(c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F)N1CCCCC1 ZINC000826474315 609477648 /nfs/dbraw/zinc/47/76/48/609477648.db2.gz KTXCJNWUNXSOQG-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnn(Cc2ccccc2)c1 ZINC000825632556 609477931 /nfs/dbraw/zinc/47/79/31/609477931.db2.gz WRRXZRMHNHRNPT-UHFFFAOYSA-N -1 3 375.436 3.122 20 0 GGADHM CCCc1c(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCC1 ZINC000825348190 609478202 /nfs/dbraw/zinc/47/82/02/609478202.db2.gz DYDPLDNZUILTTC-UHFFFAOYSA-N -1 3 393.495 3.403 20 0 GGADHM CCCc1c(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCC1 ZINC000825348190 609478205 /nfs/dbraw/zinc/47/82/05/609478205.db2.gz DYDPLDNZUILTTC-UHFFFAOYSA-N -1 3 393.495 3.403 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1c(C(C)C)nn(C)c1N(C)C ZINC000824324864 609479100 /nfs/dbraw/zinc/47/91/00/609479100.db2.gz WZIGQSYMDPWCQO-UHFFFAOYSA-N -1 3 398.515 3.189 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1c(C(C)C)nn(C)c1N(C)C ZINC000824324864 609479102 /nfs/dbraw/zinc/47/91/02/609479102.db2.gz WZIGQSYMDPWCQO-UHFFFAOYSA-N -1 3 398.515 3.189 20 0 GGADHM COc1cc(NCc2cccc(-c3nnn[n-]3)c2F)ccc1Br ZINC000826180879 609479204 /nfs/dbraw/zinc/47/92/04/609479204.db2.gz BFJNHTXEAKXTTM-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(NCc2cccc(-c3nn[n-]n3)c2F)ccc1Br ZINC000826180879 609479205 /nfs/dbraw/zinc/47/92/05/609479205.db2.gz BFJNHTXEAKXTTM-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000825552600 609487515 /nfs/dbraw/zinc/48/75/15/609487515.db2.gz ARLHRVYUJWJBJJ-UHFFFAOYSA-N -1 3 398.423 3.064 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000825552600 609487517 /nfs/dbraw/zinc/48/75/17/609487517.db2.gz ARLHRVYUJWJBJJ-UHFFFAOYSA-N -1 3 398.423 3.064 20 0 GGADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000826104157 609487684 /nfs/dbraw/zinc/48/76/84/609487684.db2.gz QQVVSPXXZJRNGV-OAHLLOKOSA-N -1 3 376.388 3.021 20 0 GGADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000826104157 609487685 /nfs/dbraw/zinc/48/76/85/609487685.db2.gz QQVVSPXXZJRNGV-OAHLLOKOSA-N -1 3 376.388 3.021 20 0 GGADHM CC(C)OCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824309005 609489338 /nfs/dbraw/zinc/48/93/38/609489338.db2.gz DLQJAJZIOXHPKI-UHFFFAOYSA-N -1 3 382.424 3.198 20 0 GGADHM CC(C)Oc1ccc(NCc2ccc(C(=O)NC3CC3)cc2)cc1-c1nnn[n-]1 ZINC000824329565 609490073 /nfs/dbraw/zinc/49/00/73/609490073.db2.gz RBCXUPDUQUNWLZ-UHFFFAOYSA-N -1 3 392.463 3.158 20 0 GGADHM CC(C)Oc1ccc(NCc2ccc(C(=O)NC3CC3)cc2)cc1-c1nn[n-]n1 ZINC000824329565 609490075 /nfs/dbraw/zinc/49/00/75/609490075.db2.gz RBCXUPDUQUNWLZ-UHFFFAOYSA-N -1 3 392.463 3.158 20 0 GGADHM Cc1ccncc1C=CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826315612 609490916 /nfs/dbraw/zinc/49/09/16/609490916.db2.gz NRRFLRLJKADIIA-YWEYNIOJSA-N -1 3 399.414 3.409 20 0 GGADHM CCn1c(SCCOc2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccccc1 ZINC000825796922 609491364 /nfs/dbraw/zinc/49/13/64/609491364.db2.gz PNIRHYCYNUJSFM-UHFFFAOYSA-N -1 3 393.476 3.316 20 0 GGADHM CSCCCCCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826228361 609492839 /nfs/dbraw/zinc/49/28/39/609492839.db2.gz MPXOOSPWZHZOST-UHFFFAOYSA-N -1 3 379.534 3.468 20 0 GGADHM CSCCCCCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826228361 609492841 /nfs/dbraw/zinc/49/28/41/609492841.db2.gz MPXOOSPWZHZOST-UHFFFAOYSA-N -1 3 379.534 3.468 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1nccnc1Sc1ccccc1 ZINC000826278876 609500170 /nfs/dbraw/zinc/50/01/70/609500170.db2.gz WULBTLFLMICNGD-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nccnc1Sc1ccccc1 ZINC000826278876 609500172 /nfs/dbraw/zinc/50/01/72/609500172.db2.gz WULBTLFLMICNGD-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1ccccc1C1=CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826307202 609502903 /nfs/dbraw/zinc/50/29/03/609502903.db2.gz YSWXUFFQGFPHOZ-UHFFFAOYSA-N -1 3 391.500 3.334 20 0 GGADHM Cc1ccccc1C1=CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826307202 609502905 /nfs/dbraw/zinc/50/29/05/609502905.db2.gz YSWXUFFQGFPHOZ-UHFFFAOYSA-N -1 3 391.500 3.334 20 0 GGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)no1 ZINC000824359331 609504131 /nfs/dbraw/zinc/50/41/31/609504131.db2.gz VTACJYBIHQZGOT-GFCCVEGCSA-N -1 3 387.469 3.192 20 0 GGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)no1 ZINC000824359331 609504133 /nfs/dbraw/zinc/50/41/33/609504133.db2.gz VTACJYBIHQZGOT-GFCCVEGCSA-N -1 3 387.469 3.192 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2Cl)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260205 609504825 /nfs/dbraw/zinc/50/48/25/609504825.db2.gz ATXNXVCJDIFMEI-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2Cl)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260205 609504826 /nfs/dbraw/zinc/50/48/26/609504826.db2.gz ATXNXVCJDIFMEI-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260593 609504924 /nfs/dbraw/zinc/50/49/24/609504924.db2.gz WANOYFCCYSQMCQ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260593 609504926 /nfs/dbraw/zinc/50/49/26/609504926.db2.gz WANOYFCCYSQMCQ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(F)cn1 ZINC000826468237 609505192 /nfs/dbraw/zinc/50/51/92/609505192.db2.gz HQBPVHWBSQJUCP-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM CCC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCO1 ZINC000825253847 609506168 /nfs/dbraw/zinc/50/61/68/609506168.db2.gz OKSWSCJJVBEAIV-NEPJUHHUSA-N -1 3 375.498 3.341 20 0 GGADHM CCC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCO1 ZINC000825253847 609506170 /nfs/dbraw/zinc/50/61/70/609506170.db2.gz OKSWSCJJVBEAIV-NEPJUHHUSA-N -1 3 375.498 3.341 20 0 GGADHM COCC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccco1 ZINC000826154374 609508564 /nfs/dbraw/zinc/50/85/64/609508564.db2.gz OCDAFRVIYFZREK-CYBMUJFWSA-N -1 3 392.872 3.177 20 0 GGADHM COCC[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccco1 ZINC000826154374 609508566 /nfs/dbraw/zinc/50/85/66/609508566.db2.gz OCDAFRVIYFZREK-CYBMUJFWSA-N -1 3 392.872 3.177 20 0 GGADHM CCCc1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cnn1C1CCCC1 ZINC000825348410 609509599 /nfs/dbraw/zinc/50/95/99/609509599.db2.gz JHYWWOJLKPNXSC-UHFFFAOYSA-N -1 3 391.479 3.334 20 0 GGADHM CCCc1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cnn1C1CCCC1 ZINC000825348410 609509600 /nfs/dbraw/zinc/50/96/00/609509600.db2.gz JHYWWOJLKPNXSC-UHFFFAOYSA-N -1 3 391.479 3.334 20 0 GGADHM Cc1cc(C(=O)Nc2cccc3ncccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260221 609511168 /nfs/dbraw/zinc/51/11/68/609511168.db2.gz BMNVJOXNCGMSAJ-UHFFFAOYSA-N -1 3 396.414 3.161 20 0 GGADHM Cc1cc(C(=O)Nc2cccc3ncccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260221 609511169 /nfs/dbraw/zinc/51/11/69/609511169.db2.gz BMNVJOXNCGMSAJ-UHFFFAOYSA-N -1 3 396.414 3.161 20 0 GGADHM Cc1cc(-c2nc(-c3ccccc3C)no2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826305136 609512576 /nfs/dbraw/zinc/51/25/76/609512576.db2.gz LYXZIVMJJRCOSB-UHFFFAOYSA-N -1 3 384.403 3.386 20 0 GGADHM Cc1cc(-c2nc(-c3ccccc3C)no2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826305136 609512578 /nfs/dbraw/zinc/51/25/78/609512578.db2.gz LYXZIVMJJRCOSB-UHFFFAOYSA-N -1 3 384.403 3.386 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C12CCC(CC1)C2 ZINC000826458554 609513751 /nfs/dbraw/zinc/51/37/51/609513751.db2.gz VCIAMXKXPCAIDE-UHFFFAOYSA-N -1 3 383.843 3.225 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C12CCC(CC1)C2 ZINC000826458554 609513755 /nfs/dbraw/zinc/51/37/55/609513755.db2.gz VCIAMXKXPCAIDE-UHFFFAOYSA-N -1 3 383.843 3.225 20 0 GGADHM Cc1cc(C(=O)N2CCCc3cccc(C)c32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826305144 609514868 /nfs/dbraw/zinc/51/48/68/609514868.db2.gz MITQFZIARRPONA-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM Cc1cc(C(=O)N2CCCc3cccc(C)c32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826305144 609514870 /nfs/dbraw/zinc/51/48/70/609514870.db2.gz MITQFZIARRPONA-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826247245 609515098 /nfs/dbraw/zinc/51/50/98/609515098.db2.gz XQHOWYPRABZTPX-CQSZACIVSA-N -1 3 397.307 3.487 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826247245 609515100 /nfs/dbraw/zinc/51/51/00/609515100.db2.gz XQHOWYPRABZTPX-CQSZACIVSA-N -1 3 397.307 3.487 20 0 GGADHM COC(=O)[C@H](c1c(F)cccc1Cl)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826117966 609515602 /nfs/dbraw/zinc/51/56/02/609515602.db2.gz WBSYQNJEWNTCPG-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM COC(=O)[C@H](c1c(F)cccc1Cl)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826117966 609515604 /nfs/dbraw/zinc/51/56/04/609515604.db2.gz WBSYQNJEWNTCPG-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCO1 ZINC000825182712 609517144 /nfs/dbraw/zinc/51/71/44/609517144.db2.gz LUHCUIAOXLATOG-LSDHHAIUSA-N -1 3 398.492 3.058 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCO1 ZINC000825182712 609517145 /nfs/dbraw/zinc/51/71/45/609517145.db2.gz LUHCUIAOXLATOG-LSDHHAIUSA-N -1 3 398.492 3.058 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000825972294 609522261 /nfs/dbraw/zinc/52/22/61/609522261.db2.gz ZMWFNHMGAIGJPV-LJQANCHMSA-N -1 3 377.448 3.033 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000825972294 609522262 /nfs/dbraw/zinc/52/22/62/609522262.db2.gz ZMWFNHMGAIGJPV-LJQANCHMSA-N -1 3 377.448 3.033 20 0 GGADHM CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826010514 609525972 /nfs/dbraw/zinc/52/59/72/609525972.db2.gz LRJBHCMEISBNOP-UHFFFAOYSA-N -1 3 399.863 3.498 20 0 GGADHM CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826010514 609525975 /nfs/dbraw/zinc/52/59/75/609525975.db2.gz LRJBHCMEISBNOP-UHFFFAOYSA-N -1 3 399.863 3.498 20 0 GGADHM CSc1ccccc1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826231572 609528129 /nfs/dbraw/zinc/52/81/29/609528129.db2.gz QGSDBRMEQZOJTP-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM CSc1ccccc1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826231572 609528131 /nfs/dbraw/zinc/52/81/31/609528131.db2.gz QGSDBRMEQZOJTP-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM Cc1ccnc(N2CCN([C@H](C)c3ccccc3Cl)CC2)c1-c1nnn[n-]1 ZINC000826311202 609529335 /nfs/dbraw/zinc/52/93/35/609529335.db2.gz WXDXDABNVVFFBB-CQSZACIVSA-N -1 3 383.887 3.107 20 0 GGADHM Cc1ccnc(N2CCN([C@H](C)c3ccccc3Cl)CC2)c1-c1nn[n-]n1 ZINC000826311202 609529336 /nfs/dbraw/zinc/52/93/36/609529336.db2.gz WXDXDABNVVFFBB-CQSZACIVSA-N -1 3 383.887 3.107 20 0 GGADHM Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257959 609530639 /nfs/dbraw/zinc/53/06/39/609530639.db2.gz UZTRRXJKYSBUNW-ZDUSSCGKSA-N -1 3 385.431 3.125 20 0 GGADHM Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257959 609530642 /nfs/dbraw/zinc/53/06/42/609530642.db2.gz UZTRRXJKYSBUNW-ZDUSSCGKSA-N -1 3 385.431 3.125 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)s1 ZINC000826283689 609532520 /nfs/dbraw/zinc/53/25/20/609532520.db2.gz XNQRGHWXMAUPKL-CYBMUJFWSA-N -1 3 393.476 3.222 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)s1 ZINC000826283689 609532523 /nfs/dbraw/zinc/53/25/23/609532523.db2.gz XNQRGHWXMAUPKL-CYBMUJFWSA-N -1 3 393.476 3.222 20 0 GGADHM Cc1c(Cl)cnc(N2CC(Cc3ccc(F)c(F)c3)C2)c1-c1nnn[n-]1 ZINC000826237275 609532900 /nfs/dbraw/zinc/53/29/00/609532900.db2.gz UNZGGFSPMSDVGX-UHFFFAOYSA-N -1 3 376.798 3.181 20 0 GGADHM Cc1c(Cl)cnc(N2CC(Cc3ccc(F)c(F)c3)C2)c1-c1nn[n-]n1 ZINC000826237275 609532902 /nfs/dbraw/zinc/53/29/02/609532902.db2.gz UNZGGFSPMSDVGX-UHFFFAOYSA-N -1 3 376.798 3.181 20 0 GGADHM Cc1ccnc(NCc2cccc(COCc3ccco3)c2)c1-c1nnn[n-]1 ZINC000826314386 609533475 /nfs/dbraw/zinc/53/34/75/609533475.db2.gz UICRHPSJICUSJN-UHFFFAOYSA-N -1 3 376.420 3.492 20 0 GGADHM Cc1ccnc(NCc2cccc(COCc3ccco3)c2)c1-c1nn[n-]n1 ZINC000826314386 609533478 /nfs/dbraw/zinc/53/34/78/609533478.db2.gz UICRHPSJICUSJN-UHFFFAOYSA-N -1 3 376.420 3.492 20 0 GGADHM Cc1ccnc(NCc2cccc(NC(=O)C3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826314091 609538121 /nfs/dbraw/zinc/53/81/21/609538121.db2.gz GGLHIVAVRJDEKE-UHFFFAOYSA-N -1 3 377.452 3.311 20 0 GGADHM Cc1ccnc(NCc2cccc(NC(=O)C3CCCC3)c2)c1-c1nn[n-]n1 ZINC000826314091 609538123 /nfs/dbraw/zinc/53/81/23/609538123.db2.gz GGLHIVAVRJDEKE-UHFFFAOYSA-N -1 3 377.452 3.311 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000826495010 609538217 /nfs/dbraw/zinc/53/82/17/609538217.db2.gz YXDPHFGFNGBUNR-OAHLLOKOSA-N -1 3 389.868 3.046 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000826495010 609538220 /nfs/dbraw/zinc/53/82/20/609538220.db2.gz YXDPHFGFNGBUNR-OAHLLOKOSA-N -1 3 389.868 3.046 20 0 GGADHM CC1CCC(N(C2CC2)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824915402 609538578 /nfs/dbraw/zinc/53/85/78/609538578.db2.gz FJVHMJUDCWLWLV-UHFFFAOYSA-N -1 3 395.916 3.252 20 0 GGADHM CC1CCC(N(C2CC2)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824915402 609538579 /nfs/dbraw/zinc/53/85/79/609538579.db2.gz FJVHMJUDCWLWLV-UHFFFAOYSA-N -1 3 395.916 3.252 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826239313 609541107 /nfs/dbraw/zinc/54/11/07/609541107.db2.gz CUARSTJXFFLFTH-GFCCVEGCSA-N -1 3 398.776 3.388 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826239313 609541109 /nfs/dbraw/zinc/54/11/09/609541109.db2.gz CUARSTJXFFLFTH-GFCCVEGCSA-N -1 3 398.776 3.388 20 0 GGADHM Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826306051 609542022 /nfs/dbraw/zinc/54/20/22/609542022.db2.gz OQSPRDXLPXOVCG-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826306051 609542024 /nfs/dbraw/zinc/54/20/24/609542024.db2.gz OQSPRDXLPXOVCG-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1cccs1 ZINC000825398948 609542921 /nfs/dbraw/zinc/54/29/21/609542921.db2.gz BYVKFSQEGJVLCR-UHFFFAOYSA-N -1 3 376.511 3.067 20 0 GGADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)Cc1cccs1 ZINC000825398948 609542924 /nfs/dbraw/zinc/54/29/24/609542924.db2.gz BYVKFSQEGJVLCR-UHFFFAOYSA-N -1 3 376.511 3.067 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825059564 609547400 /nfs/dbraw/zinc/54/74/00/609547400.db2.gz HAEXGZDQNFTRHU-FZMZJTMJSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825059564 609547402 /nfs/dbraw/zinc/54/74/02/609547402.db2.gz HAEXGZDQNFTRHU-FZMZJTMJSA-N -1 3 383.905 3.109 20 0 GGADHM Cc1cc(C(=O)Nc2cccc3[nH]ccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260515 609550388 /nfs/dbraw/zinc/55/03/88/609550388.db2.gz RNILUEFGBYVJEI-UHFFFAOYSA-N -1 3 384.403 3.094 20 0 GGADHM Cc1cc(C(=O)Nc2cccc3[nH]ccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260515 609550391 /nfs/dbraw/zinc/55/03/91/609550391.db2.gz RNILUEFGBYVJEI-UHFFFAOYSA-N -1 3 384.403 3.094 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825233166 609557749 /nfs/dbraw/zinc/55/77/49/609557749.db2.gz NUJVTZOYWXTBKP-FZMZJTMJSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825233166 609557751 /nfs/dbraw/zinc/55/77/51/609557751.db2.gz NUJVTZOYWXTBKP-FZMZJTMJSA-N -1 3 383.905 3.109 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826456969 609563523 /nfs/dbraw/zinc/56/35/23/609563523.db2.gz GSDZDQHRCMUQDK-KSZLIROESA-N -1 3 377.404 3.023 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826456969 609563525 /nfs/dbraw/zinc/56/35/25/609563525.db2.gz GSDZDQHRCMUQDK-KSZLIROESA-N -1 3 377.404 3.023 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826456971 609563926 /nfs/dbraw/zinc/56/39/26/609563926.db2.gz GSDZDQHRCMUQDK-KZNAEPCWSA-N -1 3 377.404 3.023 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826456971 609563928 /nfs/dbraw/zinc/56/39/28/609563928.db2.gz GSDZDQHRCMUQDK-KZNAEPCWSA-N -1 3 377.404 3.023 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)C2CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258702 609565519 /nfs/dbraw/zinc/56/55/19/609565519.db2.gz SWTUYFWOLXGFSM-CQSZACIVSA-N -1 3 379.468 3.059 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)C2CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258702 609565522 /nfs/dbraw/zinc/56/55/22/609565522.db2.gz SWTUYFWOLXGFSM-CQSZACIVSA-N -1 3 379.468 3.059 20 0 GGADHM Cc1c(Cl)cnc(N(C)Cc2nc(C(F)(F)F)cs2)c1-c1nnn[n-]1 ZINC000826237092 609565750 /nfs/dbraw/zinc/56/57/50/609565750.db2.gz NTWYYKXTGNRBJZ-UHFFFAOYSA-N -1 3 389.794 3.335 20 0 GGADHM Cc1c(Cl)cnc(N(C)Cc2nc(C(F)(F)F)cs2)c1-c1nn[n-]n1 ZINC000826237092 609565751 /nfs/dbraw/zinc/56/57/51/609565751.db2.gz NTWYYKXTGNRBJZ-UHFFFAOYSA-N -1 3 389.794 3.335 20 0 GGADHM Cc1c(Cl)cnc(N2CCC3(CC2)OCc2ccccc23)c1-c1nnn[n-]1 ZINC000826237652 609575428 /nfs/dbraw/zinc/57/54/28/609575428.db2.gz HOXWOBIDZWQBTE-UHFFFAOYSA-N -1 3 382.855 3.249 20 0 GGADHM Cc1c(Cl)cnc(N2CCC3(CC2)OCc2ccccc23)c1-c1nn[n-]n1 ZINC000826237652 609575431 /nfs/dbraw/zinc/57/54/31/609575431.db2.gz HOXWOBIDZWQBTE-UHFFFAOYSA-N -1 3 382.855 3.249 20 0 GGADHM O=C1[C@H](Nc2nc3ccccc3s2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477593 609575911 /nfs/dbraw/zinc/57/59/11/609575911.db2.gz HIHINCXOOQKVPL-OAHLLOKOSA-N -1 3 391.460 3.084 20 0 GGADHM O=C1[C@H](Nc2nc3ccccc3s2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477593 609575914 /nfs/dbraw/zinc/57/59/14/609575914.db2.gz HIHINCXOOQKVPL-OAHLLOKOSA-N -1 3 391.460 3.084 20 0 GGADHM Cc1cc(C(=O)Nc2cc(C)cc(F)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826268171 609579034 /nfs/dbraw/zinc/57/90/34/609579034.db2.gz MZMDWWMSNKDSDO-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(C(=O)Nc2cc(C)cc(F)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826268171 609579035 /nfs/dbraw/zinc/57/90/35/609579035.db2.gz MZMDWWMSNKDSDO-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](C)c2nc(-c3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826240015 609582963 /nfs/dbraw/zinc/58/29/63/609582963.db2.gz XZGIMBSRFBJAEG-SNVBAGLBSA-N -1 3 396.842 3.489 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](C)c2nc(-c3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826240015 609582964 /nfs/dbraw/zinc/58/29/64/609582964.db2.gz XZGIMBSRFBJAEG-SNVBAGLBSA-N -1 3 396.842 3.489 20 0 GGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825059918 609584450 /nfs/dbraw/zinc/58/44/50/609584450.db2.gz MCMBWUHDFATWTQ-IFXJQAMLSA-N -1 3 393.495 3.402 20 0 GGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825059918 609584452 /nfs/dbraw/zinc/58/44/52/609584452.db2.gz MCMBWUHDFATWTQ-IFXJQAMLSA-N -1 3 393.495 3.402 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826279220 609587181 /nfs/dbraw/zinc/58/71/81/609587181.db2.gz JKNISRZNFYRJQU-KSEUIEODSA-N -1 3 395.488 3.042 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826279220 609587182 /nfs/dbraw/zinc/58/71/82/609587182.db2.gz JKNISRZNFYRJQU-KSEUIEODSA-N -1 3 395.488 3.042 20 0 GGADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215125 609594937 /nfs/dbraw/zinc/59/49/37/609594937.db2.gz HRDBHWKLIMXAKV-KUHUBIRLSA-N -1 3 392.463 3.168 20 0 GGADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215125 609594941 /nfs/dbraw/zinc/59/49/41/609594941.db2.gz HRDBHWKLIMXAKV-KUHUBIRLSA-N -1 3 392.463 3.168 20 0 GGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824456896 609600614 /nfs/dbraw/zinc/60/06/14/609600614.db2.gz AAKRFPZORNBPSF-LBPRGKRZSA-N -1 3 389.381 3.175 20 0 GGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824456896 609600616 /nfs/dbraw/zinc/60/06/16/609600616.db2.gz AAKRFPZORNBPSF-LBPRGKRZSA-N -1 3 389.381 3.175 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(F)(F)c1ccc(C)cc1 ZINC000825788589 609602953 /nfs/dbraw/zinc/60/29/53/609602953.db2.gz RUMPGMDZEDVAJY-UHFFFAOYSA-N -1 3 397.389 3.275 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(F)(F)c1ccc(C)cc1 ZINC000825788589 609602956 /nfs/dbraw/zinc/60/29/56/609602956.db2.gz RUMPGMDZEDVAJY-UHFFFAOYSA-N -1 3 397.389 3.275 20 0 GGADHM Fc1cccc([C@@H](NCCOc2ccccc2-c2nnn[n-]2)C(F)(F)F)c1F ZINC000826376933 609608484 /nfs/dbraw/zinc/60/84/84/609608484.db2.gz YMLNKSLZSJDNSC-OAHLLOKOSA-N -1 3 399.323 3.417 20 0 GGADHM Fc1cccc([C@@H](NCCOc2ccccc2-c2nn[n-]n2)C(F)(F)F)c1F ZINC000826376933 609608487 /nfs/dbraw/zinc/60/84/87/609608487.db2.gz YMLNKSLZSJDNSC-OAHLLOKOSA-N -1 3 399.323 3.417 20 0 GGADHM Fc1cccc([C@H](NCCOc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)c1F ZINC000826376910 609608518 /nfs/dbraw/zinc/60/85/18/609608518.db2.gz YAHZCNWCKLILLW-HNNXBMFYSA-N -1 3 399.323 3.417 20 0 GGADHM O=C(NC12CCC(CC1)C2)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826428909 609609948 /nfs/dbraw/zinc/60/99/48/609609948.db2.gz OXFUMGSUQHZKMO-UHFFFAOYSA-N -1 3 379.420 3.101 20 0 GGADHM O=C(NC12CCC(CC1)C2)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826428909 609609951 /nfs/dbraw/zinc/60/99/51/609609951.db2.gz OXFUMGSUQHZKMO-UHFFFAOYSA-N -1 3 379.420 3.101 20 0 GGADHM O=C(C=Cc1cnc2ccccc2n1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826402819 609615012 /nfs/dbraw/zinc/61/50/12/609615012.db2.gz CPZBKACAEPYABD-FPLPWBNLSA-N -1 3 392.806 3.220 20 0 GGADHM O=C(C=Cc1cnc2ccccc2n1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826402819 609615014 /nfs/dbraw/zinc/61/50/14/609615014.db2.gz CPZBKACAEPYABD-FPLPWBNLSA-N -1 3 392.806 3.220 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(-n2cccn2)cc1 ZINC000826465459 609615203 /nfs/dbraw/zinc/61/52/03/609615203.db2.gz OANZDINKIFIYRD-UHFFFAOYSA-N -1 3 380.795 3.063 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(-n2cccn2)cc1 ZINC000826465459 609615204 /nfs/dbraw/zinc/61/52/04/609615204.db2.gz OANZDINKIFIYRD-UHFFFAOYSA-N -1 3 380.795 3.063 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000826465450 609615511 /nfs/dbraw/zinc/61/55/11/609615511.db2.gz NPABAXBPLKECKZ-OXQOHEQNSA-N -1 3 396.834 3.304 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000826465450 609615512 /nfs/dbraw/zinc/61/55/12/609615512.db2.gz NPABAXBPLKECKZ-OXQOHEQNSA-N -1 3 396.834 3.304 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824739493 609615715 /nfs/dbraw/zinc/61/57/15/609615715.db2.gz XVUATPPEVPCQAU-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824739493 609615716 /nfs/dbraw/zinc/61/57/16/609615716.db2.gz XVUATPPEVPCQAU-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cncc(Br)c1 ZINC000826465332 609616578 /nfs/dbraw/zinc/61/65/78/609616578.db2.gz IKKUJDUFFYSPSI-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cncc(Br)c1 ZINC000826465332 609616579 /nfs/dbraw/zinc/61/65/79/609616579.db2.gz IKKUJDUFFYSPSI-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM C=CC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000823883152 609618170 /nfs/dbraw/zinc/61/81/70/609618170.db2.gz KAJLBYDJTBFAAG-UHFFFAOYSA-N -1 3 383.795 3.002 20 0 GGADHM C=CC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000823883152 609618172 /nfs/dbraw/zinc/61/81/72/609618172.db2.gz KAJLBYDJTBFAAG-UHFFFAOYSA-N -1 3 383.795 3.002 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnc([C@H]2CCCO2)s1 ZINC000826465588 609618238 /nfs/dbraw/zinc/61/82/38/609618238.db2.gz TVBOHYAUUWNHLL-GFCCVEGCSA-N -1 3 391.840 3.185 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnc([C@H]2CCCO2)s1 ZINC000826465588 609618239 /nfs/dbraw/zinc/61/82/39/609618239.db2.gz TVBOHYAUUWNHLL-GFCCVEGCSA-N -1 3 391.840 3.185 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1csc(-c2ccccn2)n1 ZINC000826465252 609618944 /nfs/dbraw/zinc/61/89/44/609618944.db2.gz FRCZWTZEDAWBDH-UHFFFAOYSA-N -1 3 398.835 3.396 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1csc(-c2ccccn2)n1 ZINC000826465252 609618945 /nfs/dbraw/zinc/61/89/45/609618945.db2.gz FRCZWTZEDAWBDH-UHFFFAOYSA-N -1 3 398.835 3.396 20 0 GGADHM O=C(C=Cc1ccc(Cl)nc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826400165 609619304 /nfs/dbraw/zinc/61/93/04/609619304.db2.gz QYZDVRPCBQXCPY-KXFIGUGUSA-N -1 3 376.203 3.325 20 0 GGADHM O=C(C=Cc1ccc(Cl)nc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826400165 609619306 /nfs/dbraw/zinc/61/93/06/609619306.db2.gz QYZDVRPCBQXCPY-KXFIGUGUSA-N -1 3 376.203 3.325 20 0 GGADHM CN(C)[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000825848521 609622523 /nfs/dbraw/zinc/62/25/23/609622523.db2.gz FPKWZUJTCXCXHQ-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000825848521 609622524 /nfs/dbraw/zinc/62/25/24/609622524.db2.gz FPKWZUJTCXCXHQ-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000825851103 609622575 /nfs/dbraw/zinc/62/25/75/609622575.db2.gz UMQOGHTZBZQWIM-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000825851103 609622577 /nfs/dbraw/zinc/62/25/77/609622577.db2.gz UMQOGHTZBZQWIM-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000825851082 609622884 /nfs/dbraw/zinc/62/28/84/609622884.db2.gz UIVDHDMCVIYBOB-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000825851082 609622886 /nfs/dbraw/zinc/62/28/86/609622886.db2.gz UIVDHDMCVIYBOB-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CCC[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCO1 ZINC000825251182 609624981 /nfs/dbraw/zinc/62/49/81/609624981.db2.gz AIOKASFMMJLLSK-TZMCWYRMSA-N -1 3 396.394 3.107 20 0 GGADHM CCC[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCO1 ZINC000825251182 609624983 /nfs/dbraw/zinc/62/49/83/609624983.db2.gz AIOKASFMMJLLSK-TZMCWYRMSA-N -1 3 396.394 3.107 20 0 GGADHM C[C@H](CCSc1ccccc1)OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406488 609630180 /nfs/dbraw/zinc/63/01/80/609630180.db2.gz LLQMXOHUVGLSOY-CXAGYDPISA-N -1 3 384.461 3.014 20 0 GGADHM C[C@H](CCSc1ccccc1)OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406488 609630182 /nfs/dbraw/zinc/63/01/82/609630182.db2.gz LLQMXOHUVGLSOY-CXAGYDPISA-N -1 3 384.461 3.014 20 0 GGADHM CC/C(C)=C(\C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050357 609639203 /nfs/dbraw/zinc/63/92/03/609639203.db2.gz IGVMXBXUYPOLTK-USKTWTLRSA-N -1 3 377.832 3.137 20 0 GGADHM CC/C(C)=C(\C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050357 609639205 /nfs/dbraw/zinc/63/92/05/609639205.db2.gz IGVMXBXUYPOLTK-USKTWTLRSA-N -1 3 377.832 3.137 20 0 GGADHM O[C@H](COC1CCOCC1)CSc1nnc([N-]c2ccccc2F)s1 ZINC000531515631 650739967 /nfs/dbraw/zinc/73/99/67/650739967.db2.gz TWYNZRSJXHOKMJ-LLVKDONJSA-N -1 3 385.486 3.069 20 0 GGADHM C[C@@H]1CCc2c(sc3nc(CCC(=O)[N-]OCc4ccccc4)[nH]c(=O)c23)C1 ZINC000052952970 1406238796 /nfs/dbraw/zinc/23/87/96/1406238796.db2.gz LNHSCRZKDYVKBH-CYBMUJFWSA-N -1 3 397.500 3.290 20 0 GGADHM O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc2c(cc1[O-])OCO2 ZINC000052992574 1406252355 /nfs/dbraw/zinc/25/23/55/1406252355.db2.gz YZCAZOSOHVRABK-UHFFFAOYSA-N -1 3 382.347 3.377 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCc3ccoc3)c2)c1 ZINC000053040227 1406270292 /nfs/dbraw/zinc/27/02/92/1406270292.db2.gz XEKYTEBXRPILJX-UHFFFAOYSA-N -1 3 396.399 3.185 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(OCCOC)c3)c2)n1 ZINC000053061132 1406279939 /nfs/dbraw/zinc/27/99/39/1406279939.db2.gz NJYXYJNHTBDHLJ-UHFFFAOYSA-N -1 3 393.443 3.277 20 0 GGADHM CCOc1ccc([C@@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1OCC ZINC000053194624 1406322829 /nfs/dbraw/zinc/32/28/29/1406322829.db2.gz CRSWFLCUKFRHHW-QFGUUYLXSA-N -1 3 380.444 3.446 20 0 GGADHM CCc1cc2c(CN3CCN(C(=O)c4ccsc4)CC3)cc(=O)oc2cc1[O-] ZINC000053323339 1406364599 /nfs/dbraw/zinc/36/45/99/1406364599.db2.gz OQWQJLNCRYXHOZ-UHFFFAOYSA-N -1 3 398.484 3.081 20 0 GGADHM CCc1cccc(Cc2cnc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)s2)c1 ZINC000053597264 1406455431 /nfs/dbraw/zinc/45/54/31/1406455431.db2.gz MMZVEISJNXDKIM-UHFFFAOYSA-N -1 3 382.489 3.178 20 0 GGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742788 1406499390 /nfs/dbraw/zinc/49/93/90/1406499390.db2.gz IRZAUAQBZZHGNG-NSHDSACASA-N -1 3 397.258 3.013 20 0 GGADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053741846 1406497894 /nfs/dbraw/zinc/49/78/94/1406497894.db2.gz OJKLOPRCNNGPNL-UHFFFAOYSA-N -1 3 399.447 3.123 20 0 GGADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742777 1406498667 /nfs/dbraw/zinc/49/86/67/1406498667.db2.gz PBWRNRADNPFKBT-HNNXBMFYSA-N -1 3 384.476 3.003 20 0 GGADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000053742790 1406499605 /nfs/dbraw/zinc/49/96/05/1406499605.db2.gz JDSSTLDUSLRPOV-INIZCTEOSA-N -1 3 384.476 3.138 20 0 GGADHM CC1CCN(Cc2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)CC1 ZINC000053793201 1406513005 /nfs/dbraw/zinc/51/30/05/1406513005.db2.gz RQYGMZCOTHXJBA-UHFFFAOYSA-N -1 3 382.489 3.469 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2nc3ccccc3n2C2CCCCC2)c(=O)[n-]1 ZINC000054032011 1406593737 /nfs/dbraw/zinc/59/37/37/1406593737.db2.gz BOIVRONZNZLVIP-UHFFFAOYSA-N -1 3 379.464 3.423 20 0 GGADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000054084879 1406612144 /nfs/dbraw/zinc/61/21/44/1406612144.db2.gz YQPZKKQUKXULEO-UHFFFAOYSA-N -1 3 379.416 3.216 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000054366890 1406704962 /nfs/dbraw/zinc/70/49/62/1406704962.db2.gz RESJSHWCIDWWAM-NSHDSACASA-N -1 3 388.880 3.275 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)n[nH]1 ZINC000054471038 1406745277 /nfs/dbraw/zinc/74/52/77/1406745277.db2.gz CPVSXRDYZGPYCU-UHFFFAOYSA-N -1 3 388.424 3.219 20 0 GGADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)n(C)n1 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O=C(COC(=O)CSc1ccc2ccccc2c1)[N-]C(=O)c1cccs1 ZINC000007134872 1398607862 /nfs/dbraw/zinc/60/78/62/1398607862.db2.gz VSJYYTHZXRFPRS-UHFFFAOYSA-N -1 3 385.466 3.493 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000007160249 1398613187 /nfs/dbraw/zinc/61/31/87/1398613187.db2.gz IBGFCVULYNROSX-UHFFFAOYSA-N -1 3 375.446 3.059 20 0 GGADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)N[N-]C(=O)c2ccccc2F)c1 ZINC000007283781 1398646286 /nfs/dbraw/zinc/64/62/86/1398646286.db2.gz DFFGQUYHRUEENI-UHFFFAOYSA-N -1 3 398.463 3.182 20 0 GGADHM CCCOc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1OCC ZINC000007294333 1398647385 /nfs/dbraw/zinc/64/73/85/1398647385.db2.gz UOQNGRCDKXPIFC-UHFFFAOYSA-N -1 3 391.445 3.049 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC[C@H]4CCCC[C@@H]4C3)nc(=O)c2c1C ZINC000007488253 1398688680 /nfs/dbraw/zinc/68/86/80/1398688680.db2.gz WHAXTBOWUMFGPF-CHWSQXEVSA-N -1 3 375.494 3.092 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H]3COc4ccccc4O3)nc(=O)c2c1C ZINC000008012311 1398791866 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ZINC000011810837 1399012927 /nfs/dbraw/zinc/01/29/27/1399012927.db2.gz DUKPPJLCCZNOCZ-UHFFFAOYSA-N -1 3 396.230 3.244 20 0 GGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccccc1C(=O)NC1CC1 ZINC000011810036 1399013115 /nfs/dbraw/zinc/01/31/15/1399013115.db2.gz XCJHOESBNKCCKE-UHFFFAOYSA-N -1 3 396.230 3.009 20 0 GGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000055545972 1406996925 /nfs/dbraw/zinc/99/69/25/1406996925.db2.gz PJUKYMPIPBWTMZ-UHFFFAOYSA-N -1 3 390.509 3.358 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nnc(-c4cccs4)n3N)cc(=O)oc12 ZINC000012252478 1399034855 /nfs/dbraw/zinc/03/48/55/1399034855.db2.gz IAZAROKIBJWKPB-UHFFFAOYSA-N -1 3 386.458 3.133 20 0 GGADHM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000055555045 1407000008 /nfs/dbraw/zinc/00/00/08/1407000008.db2.gz TZVZZIMJPONPAG-UHFFFAOYSA-N -1 3 394.321 3.058 20 0 GGADHM Cc1cc(C)c(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C ZINC000012990608 1399071080 /nfs/dbraw/zinc/07/10/80/1399071080.db2.gz PRZSMIBJQKSSTI-UHFFFAOYSA-N 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Cc1ccc(NC(=O)NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1C ZINC000021730908 1399404087 /nfs/dbraw/zinc/40/40/87/1399404087.db2.gz NFNKWGWILSEIER-UHFFFAOYSA-N -1 3 384.219 3.443 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCCCCC1 ZINC000022058776 1399434324 /nfs/dbraw/zinc/43/43/24/1399434324.db2.gz PVIMRCNYGBUFML-UHFFFAOYSA-N -1 3 391.320 3.450 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022182786 1399442377 /nfs/dbraw/zinc/44/23/77/1399442377.db2.gz SDXFWKAZIPIZCI-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ncccc3[O-])cc2)c1 ZINC000022261569 1399448968 /nfs/dbraw/zinc/44/89/68/1399448968.db2.gz PCVCCVDENZULTH-UHFFFAOYSA-N -1 3 398.440 3.424 20 0 GGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000022475138 1399467494 /nfs/dbraw/zinc/46/74/94/1399467494.db2.gz JLIIDKWCVGTDJN-LBPRGKRZSA-N -1 3 392.249 3.359 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2)c(C(F)(F)F)c1 ZINC000022474809 1399467508 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GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1 ZINC000055638098 1407035497 /nfs/dbraw/zinc/03/54/97/1407035497.db2.gz HSDSZQGFQZEBBN-UHFFFAOYSA-N -1 3 391.367 3.253 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3nc[nH]n3)ccc2C)c(C)c1 ZINC000023141437 1399534947 /nfs/dbraw/zinc/53/49/47/1399534947.db2.gz ASRXKPZMGDSAKB-UHFFFAOYSA-N -1 3 399.476 3.091 20 0 GGADHM O=C(COC(=O)c1ccc(SC(F)(F)F)cc1)[N-]C(=O)c1cccs1 ZINC000023225569 1399541629 /nfs/dbraw/zinc/54/16/29/1399541629.db2.gz PUPHOGDBSYQVCP-UHFFFAOYSA-N -1 3 389.376 3.473 20 0 GGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1cccc(N2CCCC2=O)c1 ZINC000023346805 1399551407 /nfs/dbraw/zinc/55/14/07/1399551407.db2.gz AXVFMRIYFDHSEJ-UHFFFAOYSA-N -1 3 383.429 3.152 20 0 GGADHM Cc1cccc(-n2nnnc2SCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000023524530 1399568950 /nfs/dbraw/zinc/56/89/50/1399568950.db2.gz FRAHGEAEBVSCKJ-UHFFFAOYSA-N -1 3 380.429 3.383 20 0 GGADHM O=C1[N-]C(=O)/C(=C/NCc2ccc(OCC(F)(F)F)cc2)c2ccccc21 ZINC000023608381 1399573900 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20 0 GGADHM O=C([N-]NC(=O)c1ccc(OCc2cccnc2)cc1)c1ccc2ccccc2n1 ZINC000024642851 1399652094 /nfs/dbraw/zinc/65/20/94/1399652094.db2.gz KDXRUQUNILQXLQ-UHFFFAOYSA-N -1 3 398.422 3.284 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)cc1 ZINC000024685470 1399656908 /nfs/dbraw/zinc/65/69/08/1399656908.db2.gz IQAMEFVXUTUWOL-NSHDSACASA-N -1 3 396.871 3.411 20 0 GGADHM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024689930 1399657571 /nfs/dbraw/zinc/65/75/71/1399657571.db2.gz XCNWWUKFXLMDTO-CYBMUJFWSA-N -1 3 376.453 3.066 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(F)cc1F ZINC000024693177 1399658317 /nfs/dbraw/zinc/65/83/17/1399658317.db2.gz JUNPDEFNSPLHDK-SNVBAGLBSA-N -1 3 398.406 3.036 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000024884340 1399684758 /nfs/dbraw/zinc/68/47/58/1399684758.db2.gz TWEGKZDNHLANOF-UHFFFAOYSA-N -1 3 387.486 3.363 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O 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1399883990 /nfs/dbraw/zinc/88/39/90/1399883990.db2.gz QSOMNAUYCKQOSH-UHFFFAOYSA-N -1 3 386.458 3.020 20 0 GGADHM CC(C)OC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000026429635 1399888539 /nfs/dbraw/zinc/88/85/39/1399888539.db2.gz UQMFKLQGIVJEEL-UHFFFAOYSA-N -1 3 378.841 3.218 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)cc1 ZINC000026539959 1399897961 /nfs/dbraw/zinc/89/79/61/1399897961.db2.gz GMSDZRZUESOCBN-UHFFFAOYSA-N -1 3 399.476 3.053 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1OC ZINC000026536756 1399898145 /nfs/dbraw/zinc/89/81/45/1399898145.db2.gz ABVOSGXEKOSJIX-UHFFFAOYSA-N -1 3 390.461 3.162 20 0 GGADHM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000026548542 1399898865 /nfs/dbraw/zinc/89/88/65/1399898865.db2.gz MYZSPQITIYKZLZ-UHFFFAOYSA-N -1 3 376.478 3.126 20 0 GGADHM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000026548617 1399898883 /nfs/dbraw/zinc/89/88/83/1399898883.db2.gz BCHHGWDNVVWVCK-UHFFFAOYSA-N -1 3 390.505 3.236 20 0 GGADHM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000026548546 1399898964 /nfs/dbraw/zinc/89/89/64/1399898964.db2.gz KVIKXTQCBSXJRP-UHFFFAOYSA-N -1 3 390.505 3.300 20 0 GGADHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000026625000 1399911306 /nfs/dbraw/zinc/91/13/06/1399911306.db2.gz KDBJFGQQICVXLS-SNVBAGLBSA-N -1 3 378.215 3.094 20 0 GGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC(=O)Nc1ccccc1F ZINC000026930247 1399952401 /nfs/dbraw/zinc/95/24/01/1399952401.db2.gz QOJAKSCPSOPIRW-ZETCQYMHSA-N -1 3 388.182 3.354 20 0 GGADHM COc1ccc(C(=O)[N-]NC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)c(F)c1 ZINC000027202464 1400003574 /nfs/dbraw/zinc/00/35/74/1400003574.db2.gz DQALPUNFEAZHRJ-GFCCVEGCSA-N -1 3 394.830 3.333 20 0 GGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc(F)cc1 ZINC000055751117 1407073527 /nfs/dbraw/zinc/07/35/27/1407073527.db2.gz NTPNJHVXYLOPMU-UHFFFAOYSA-N -1 3 382.432 3.318 20 0 GGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000027393007 1400032290 /nfs/dbraw/zinc/03/22/90/1400032290.db2.gz WMFKJQKICNRZNW-UHFFFAOYSA-N -1 3 398.854 3.254 20 0 GGADHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000027393007 1400032301 /nfs/dbraw/zinc/03/23/01/1400032301.db2.gz WMFKJQKICNRZNW-UHFFFAOYSA-N -1 3 398.854 3.254 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000027801405 1400094172 /nfs/dbraw/zinc/09/41/72/1400094172.db2.gz CLMBWXAJLAKAEN-KRWDZBQOSA-N -1 3 389.477 3.096 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1Cc1ccco1 ZINC000028021207 1400118781 /nfs/dbraw/zinc/11/87/81/1400118781.db2.gz ISAUZEDNGDTFSE-UHFFFAOYSA-N -1 3 387.461 3.370 20 0 GGADHM Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000028021539 1400118873 /nfs/dbraw/zinc/11/88/73/1400118873.db2.gz RTOSVJCUIFPBHT-UHFFFAOYSA-N -1 3 393.490 3.029 20 0 GGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000028130482 1400131614 /nfs/dbraw/zinc/13/16/14/1400131614.db2.gz ASBQPJDDYKTHHQ-ZDUSSCGKSA-N -1 3 377.824 3.128 20 0 GGADHM NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000028256705 1400144012 /nfs/dbraw/zinc/14/40/12/1400144012.db2.gz FJWAEJLCVKNIBT-UHFFFAOYSA-N -1 3 388.489 3.399 20 0 GGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000028254838 1400144076 /nfs/dbraw/zinc/14/40/76/1400144076.db2.gz HWMZTCPWRVFBLS-UHFFFAOYSA-N -1 3 386.473 3.260 20 0 GGADHM Cc1cccc(OCCNC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752664 1400192378 /nfs/dbraw/zinc/19/23/78/1400192378.db2.gz UMJDKXJFNOWGNK-NSHDSACASA-N -1 3 385.247 3.370 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1 ZINC000029048311 1400229731 /nfs/dbraw/zinc/22/97/31/1400229731.db2.gz GKTSUBFKOOWQFX-UHFFFAOYSA-N -1 3 388.489 3.399 20 0 GGADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000029048450 1400229813 /nfs/dbraw/zinc/22/98/13/1400229813.db2.gz RQTHPIURSRDFLH-UHFFFAOYSA-N -1 3 386.477 3.391 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCCOC)c2)cc1 ZINC000029048505 1400229822 /nfs/dbraw/zinc/22/98/22/1400229822.db2.gz RERJWJDTEMCGJJ-UHFFFAOYSA-N -1 3 395.477 3.310 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1-c1ccccn1 ZINC000029092404 1400237066 /nfs/dbraw/zinc/23/70/66/1400237066.db2.gz LTOVZXGPNJSIMB-UHFFFAOYSA-N -1 3 384.461 3.113 20 0 GGADHM O=C(Cc1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1)c1ccccc1 ZINC000029185262 1400255801 /nfs/dbraw/zinc/25/58/01/1400255801.db2.gz OCLDGVPBXSSGRG-GZTJUZNOSA-N -1 3 389.436 3.292 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)c2ccccc2[O-])cc1NC(=O)c1ccccc1 ZINC000029257255 1400267617 /nfs/dbraw/zinc/26/76/17/1400267617.db2.gz JVLUAFHJACBOLQ-UHFFFAOYSA-N -1 3 389.411 3.028 20 0 GGADHM Cc1cc2[nH]c(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c(C)c1 ZINC000029689635 1400336782 /nfs/dbraw/zinc/33/67/82/1400336782.db2.gz MPOUSWIKKUQCEH-UHFFFAOYSA-N -1 3 377.444 3.089 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nnnn3Cc3cccs3)cc(=O)oc12 ZINC000029744507 1400347199 /nfs/dbraw/zinc/34/71/99/1400347199.db2.gz NBOMYOROPGTKHN-UHFFFAOYSA-N -1 3 386.458 3.196 20 0 GGADHM CC(=O)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000029753101 1400347779 /nfs/dbraw/zinc/34/77/79/1400347779.db2.gz UMPHGKWFMGEEGG-UHFFFAOYSA-N -1 3 392.452 3.357 20 0 GGADHM COc1ccc(C)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029753412 1400348128 /nfs/dbraw/zinc/34/81/28/1400348128.db2.gz RFHKQKQEMBMJSM-UHFFFAOYSA-N -1 3 394.468 3.472 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccs1 ZINC000029760009 1400348820 /nfs/dbraw/zinc/34/88/20/1400348820.db2.gz LCAJOIVPJJTIOT-NSHDSACASA-N -1 3 384.498 3.455 20 0 GGADHM Cc1cccc(C(=O)N2CCCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1 ZINC000029847428 1400363278 /nfs/dbraw/zinc/36/32/78/1400363278.db2.gz YAIVDLRJZPCVCW-UHFFFAOYSA-N -1 3 392.455 3.155 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(c4cccc(F)c4C#N)CC3)cc(=O)oc12 ZINC000029857382 1400365650 /nfs/dbraw/zinc/36/56/50/1400365650.db2.gz BXWMZSCNOKCASS-UHFFFAOYSA-N -1 3 393.418 3.140 20 0 GGADHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000029970560 1400390299 /nfs/dbraw/zinc/39/02/99/1400390299.db2.gz JYUNKYGWJCLVAG-UHFFFAOYSA-N -1 3 384.841 3.304 20 0 GGADHM CN(Cc1cccs1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029980290 1400390913 /nfs/dbraw/zinc/39/09/13/1400390913.db2.gz GIKRETNMRNSDRZ-UHFFFAOYSA-N -1 3 384.498 3.236 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCCCC3)c2)c1 ZINC000030016901 1400398977 /nfs/dbraw/zinc/39/89/77/1400398977.db2.gz LGTBYNDAOZRWMK-UHFFFAOYSA-N -1 3 384.432 3.288 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000030016692 1400399067 /nfs/dbraw/zinc/39/90/67/1400399067.db2.gz URGSBKSAWHJHMZ-UHFFFAOYSA-N -1 3 378.350 3.009 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCc3ccco3)c2)c1 ZINC000030016899 1400399265 /nfs/dbraw/zinc/39/92/65/1400399265.db2.gz ACCJDJPPKHDNDU-UHFFFAOYSA-N -1 3 396.399 3.185 20 0 GGADHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1F ZINC000055919375 1407133938 /nfs/dbraw/zinc/13/39/38/1407133938.db2.gz QFISWZMVEUWCJC-UHFFFAOYSA-N -1 3 398.431 3.303 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc4cnccc43)CCCCCC2)no1 ZINC000056045038 1407182599 /nfs/dbraw/zinc/18/25/99/1407182599.db2.gz WMMADYLHAIXEKP-UHFFFAOYSA-N -1 3 386.477 3.454 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)SC)ccc2C)cc1 ZINC000056064216 1407187289 /nfs/dbraw/zinc/18/72/89/1407187289.db2.gz JKWAOQDVOJRMDT-CYBMUJFWSA-N -1 3 394.518 3.494 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056069895 1407189607 /nfs/dbraw/zinc/18/96/07/1407189607.db2.gz BGAQMCWECGGCCT-NSHDSACASA-N -1 3 395.431 3.288 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)OC)ccc2C)cc1 ZINC000056091695 1407199146 /nfs/dbraw/zinc/19/91/46/1407199146.db2.gz QDTPPSTYLODDSB-AWEZNQCLSA-N -1 3 392.477 3.168 20 0 GGADHM O=S(=O)([N-]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)cc1F ZINC000056122036 1407214579 /nfs/dbraw/zinc/21/45/79/1407214579.db2.gz AGIXCFQDDTUKMH-UHFFFAOYSA-N -1 3 389.427 3.118 20 0 GGADHM Cc1c([O-])ccc2c(CNc3ccc(CN4CCOC4=O)cc3)cc(=O)oc12 ZINC000056203622 1407250230 /nfs/dbraw/zinc/25/02/30/1407250230.db2.gz CDVRESRGGGFSDW-UHFFFAOYSA-N -1 3 380.400 3.371 20 0 GGADHM Cc1c([O-])ccc2c(CNc3ccc(CCN4CCOCC4)cc3)cc(=O)oc12 ZINC000056215989 1407255223 /nfs/dbraw/zinc/25/52/23/1407255223.db2.gz BDUFZSYEBNGDGI-UHFFFAOYSA-N -1 3 394.471 3.294 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)c(F)c2)ccc1F ZINC000056227600 1407261245 /nfs/dbraw/zinc/26/12/45/1407261245.db2.gz CTVYBKFIDZQTPQ-UHFFFAOYSA-N -1 3 386.395 3.067 20 0 GGADHM O=C(OCc1nccs1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000056241296 1407264904 /nfs/dbraw/zinc/26/49/04/1407264904.db2.gz HHDDCOBCDXIWJS-UHFFFAOYSA-N -1 3 392.433 3.440 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)ccc1F ZINC000056315508 1407295687 /nfs/dbraw/zinc/29/56/87/1407295687.db2.gz DJQWGGONDFIWQR-QGZVFWFLSA-N -1 3 394.443 3.069 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3C[C@@H]3C)ccc2C)cc1 ZINC000042984871 1403683374 /nfs/dbraw/zinc/68/33/74/1403683374.db2.gz VZTUMGUJVKDGKZ-GOEBONIOSA-N -1 3 388.489 3.190 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000043182913 1403727361 /nfs/dbraw/zinc/72/73/61/1403727361.db2.gz ZINQCVRIDVQERH-AWEZNQCLSA-N -1 3 387.867 3.274 20 0 GGADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000043187501 1403728452 /nfs/dbraw/zinc/72/84/52/1403728452.db2.gz DQPNFCFTEWZHRO-JTQLQIEISA-N -1 3 380.217 3.293 20 0 GGADHM O=C([N-]NC(=O)N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000043296697 1403742699 /nfs/dbraw/zinc/74/26/99/1403742699.db2.gz HIWVVTHSNQFXSR-SFHVURJKSA-N -1 3 380.835 3.469 20 0 GGADHM CC[C@H](CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000043791751 1403817815 /nfs/dbraw/zinc/81/78/15/1403817815.db2.gz NAUDIBXXBLAYDH-QGZVFWFLSA-N -1 3 381.476 3.053 20 0 GGADHM O=C(COC(=O)C1(c2cccc(Cl)c2)CCC1)[N-]C(=O)c1cccs1 ZINC000043905231 1403843298 /nfs/dbraw/zinc/84/32/98/1403843298.db2.gz YHGWJMLLKVESRZ-UHFFFAOYSA-N -1 3 377.849 3.323 20 0 GGADHM O=c1[n-]c(SCC[S@@](=O)c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000044029192 1403862953 /nfs/dbraw/zinc/86/29/53/1403862953.db2.gz AXEKTLHSWSOKQU-MHZLTWQESA-N -1 3 396.497 3.009 20 0 GGADHM CCCC[C@@H](CC)CNC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000044138031 1403881995 /nfs/dbraw/zinc/88/19/95/1403881995.db2.gz UNYIWQUEIXJECG-MRXNPFEDSA-N -1 3 377.554 3.241 20 0 GGADHM CCCC[C@H](CC)CNC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000044138034 1403882318 /nfs/dbraw/zinc/88/23/18/1403882318.db2.gz UNYIWQUEIXJECG-INIZCTEOSA-N -1 3 377.554 3.241 20 0 GGADHM O=C([N-]NC(=O)c1ccccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044256169 1403909574 /nfs/dbraw/zinc/90/95/74/1403909574.db2.gz RCEHSXCWQJAGFR-UHFFFAOYSA-N -1 3 375.215 3.254 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cc1OCC ZINC000044260191 1403910135 /nfs/dbraw/zinc/91/01/35/1403910135.db2.gz DYLNPAMPYDDRPL-UHFFFAOYSA-N -1 3 396.440 3.382 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000044539106 1403945806 /nfs/dbraw/zinc/94/58/06/1403945806.db2.gz WUDYIBAVNVCSIV-INIZCTEOSA-N -1 3 394.493 3.329 20 0 GGADHM CCc1cc2c(CNc3cccc(NS(C)(=O)=O)c3)cc(=O)oc2cc1[O-] ZINC000044803637 1404005566 /nfs/dbraw/zinc/00/55/66/1404005566.db2.gz YXXRRZONOATOQK-UHFFFAOYSA-N -1 3 388.445 3.045 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc2ccccc2n1 ZINC000044819388 1404007566 /nfs/dbraw/zinc/00/75/66/1404007566.db2.gz KLJZMRDVAKIRIF-UHFFFAOYSA-N -1 3 384.395 3.497 20 0 GGADHM O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000044850565 1404011629 /nfs/dbraw/zinc/01/16/29/1404011629.db2.gz VOCWUHYKRYLWJV-UHFFFAOYSA-N -1 3 395.362 3.485 20 0 GGADHM Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ncccc3[O-])cc2)cc1 ZINC000044949007 1404023890 /nfs/dbraw/zinc/02/38/90/1404023890.db2.gz CVGIEYUDSCVXJI-UHFFFAOYSA-N -1 3 382.441 3.322 20 0 GGADHM CCO[N-]C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000045013440 1404037388 /nfs/dbraw/zinc/03/73/88/1404037388.db2.gz UTYXGUWYUIFFGU-UHFFFAOYSA-N -1 3 377.238 3.312 20 0 GGADHM Cc1cccc(OCC(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000045052630 1404044791 /nfs/dbraw/zinc/04/47/91/1404044791.db2.gz ABZUGPMDZLAODL-UHFFFAOYSA-N -1 3 392.459 3.144 20 0 GGADHM CC[C@@H](C)NC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000045101761 1404054656 /nfs/dbraw/zinc/05/46/56/1404054656.db2.gz JUAPSORIWVVVSY-CJNGLKHVSA-N -1 3 399.520 3.140 20 0 GGADHM O=C([N-]NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc2ccccc2n1 ZINC000045158261 1404065613 /nfs/dbraw/zinc/06/56/13/1404065613.db2.gz AOIMHEVMNODBHB-UHFFFAOYSA-N -1 3 398.422 3.284 20 0 GGADHM C[C@H](OCCCNC(=O)N[N-]C(=O)c1ccccc1Cl)c1ccccc1 ZINC000045159488 1404066475 /nfs/dbraw/zinc/06/64/75/1404066475.db2.gz ABCZPMKWQFEIGJ-AWEZNQCLSA-N -1 3 375.856 3.452 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3n2)ccc1F ZINC000045317262 1404098089 /nfs/dbraw/zinc/09/80/89/1404098089.db2.gz LUNCBQNMBQMWEP-UHFFFAOYSA-N -1 3 385.420 3.091 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1F ZINC000045350284 1404104322 /nfs/dbraw/zinc/10/43/22/1404104322.db2.gz UWUMCWJYJPWCRQ-UHFFFAOYSA-N -1 3 390.480 3.341 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)ccc1F ZINC000045887832 1404235497 /nfs/dbraw/zinc/23/54/97/1404235497.db2.gz AZKGWNUCKDEFKW-UHFFFAOYSA-N -1 3 396.459 3.014 20 0 GGADHM COc1ccc(Oc2cc(CNC(=O)NN=c3nc(C)cc(C)[n-]3)ccn2)cc1 ZINC000046002241 1404268651 /nfs/dbraw/zinc/26/86/51/1404268651.db2.gz DNQLLBHUOMACKS-UHFFFAOYSA-N -1 3 394.435 3.116 20 0 GGADHM O=C(Nc1ccc(Cl)c(F)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000046000453 1404268733 /nfs/dbraw/zinc/26/87/33/1404268733.db2.gz IHAIIPIEDAYUEQ-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3NC)c2)n1 ZINC000046067047 1404287725 /nfs/dbraw/zinc/28/77/25/1404287725.db2.gz NKSCQZJGDYFGSJ-UHFFFAOYSA-N -1 3 393.403 3.202 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC(C)=O)cc3)c2)n1 ZINC000046065741 1404287761 /nfs/dbraw/zinc/28/77/61/1404287761.db2.gz SCRVTEXHROOVBA-UHFFFAOYSA-N -1 3 376.416 3.210 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4cccnc4)on3)c2)n1 ZINC000046065703 1404287812 /nfs/dbraw/zinc/28/78/12/1404287812.db2.gz RCQGCEVRBUWFKF-UHFFFAOYSA-N -1 3 387.399 3.302 20 0 GGADHM COC(=O)c1ccc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)o1 ZINC000046084273 1404293241 /nfs/dbraw/zinc/29/32/41/1404293241.db2.gz HEDYWEQORVVYEL-NSHDSACASA-N -1 3 396.428 3.342 20 0 GGADHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046113980 1404300507 /nfs/dbraw/zinc/30/05/07/1404300507.db2.gz IXBOHHUQLIHFLJ-UHFFFAOYSA-N -1 3 380.441 3.163 20 0 GGADHM CCN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046121605 1404305631 /nfs/dbraw/zinc/30/56/31/1404305631.db2.gz XKPDFYUBAOEFMF-UHFFFAOYSA-N -1 3 378.469 3.175 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1F ZINC000046143550 1404310917 /nfs/dbraw/zinc/31/09/17/1404310917.db2.gz OCNKZRQXONZWBJ-UHFFFAOYSA-N -1 3 398.887 3.438 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2F)ccc1F ZINC000046208757 1404332388 /nfs/dbraw/zinc/33/23/88/1404332388.db2.gz ULFNYNJFFPYMAG-ZDUSSCGKSA-N -1 3 396.459 3.485 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)ccc1F ZINC000046318397 1404362786 /nfs/dbraw/zinc/36/27/86/1404362786.db2.gz KRMDAZUQTQIJNS-ZBFHGGJFSA-N -1 3 382.501 3.165 20 0 GGADHM CCCCOc1c(Cl)cc(C(=O)NN=c2nc(OC)cc[n-]2)cc1OCC ZINC000046363845 1404384738 /nfs/dbraw/zinc/38/47/38/1404384738.db2.gz LRIJTWPYBLAXPW-UHFFFAOYSA-N -1 3 394.859 3.473 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 ZINC000046363805 1404384975 /nfs/dbraw/zinc/38/49/75/1404384975.db2.gz KKWMJYGKUTWSHC-UHFFFAOYSA-N -1 3 391.453 3.289 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2CSc2nc(C)cs2)n1 ZINC000046365497 1404385425 /nfs/dbraw/zinc/38/54/25/1404385425.db2.gz KWQSDZLLHALNGO-UHFFFAOYSA-N -1 3 387.490 3.299 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)n1 ZINC000046365054 1404385494 /nfs/dbraw/zinc/38/54/94/1404385494.db2.gz XBGVFVOGGYSQDI-UHFFFAOYSA-N -1 3 382.807 3.127 20 0 GGADHM COc1cc[n-]c(=NNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 ZINC000046364934 1404385606 /nfs/dbraw/zinc/38/56/06/1404385606.db2.gz UZMRQVRDKKBRLF-CHWSQXEVSA-N -1 3 381.461 3.288 20 0 GGADHM COc1cc[n-]c(=NNC(=O)C(=Cc2ccccc2OC)c2ccccc2)n1 ZINC000046365300 1404386197 /nfs/dbraw/zinc/38/61/97/1404386197.db2.gz YINYFMRJSMTYPW-SAPNQHFASA-N -1 3 376.416 3.178 20 0 GGADHM CCOc1ccc(-c2nc(C)c(C(=O)NN=c3nc(OC)cc[n-]3)s2)cc1 ZINC000046365945 1404386229 /nfs/dbraw/zinc/38/62/29/1404386229.db2.gz MWWAJNPCZQWBOQ-UHFFFAOYSA-N -1 3 385.449 3.073 20 0 GGADHM Cc1ccc2[nH]c(C(=O)OCC(=O)[N-]C(=O)c3cccs3)c(Cl)c2c1 ZINC000046382016 1404390571 /nfs/dbraw/zinc/39/05/71/1404390571.db2.gz FZWGKDPHVUVUNG-UHFFFAOYSA-N -1 3 376.821 3.305 20 0 GGADHM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000046412634 1404406263 /nfs/dbraw/zinc/40/62/63/1404406263.db2.gz NRVNEZIKDCLKRJ-JSGCOSHPSA-N -1 3 385.464 3.013 20 0 GGADHM Cc1nc(C)c(CC(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000046413557 1404407170 /nfs/dbraw/zinc/40/71/70/1404407170.db2.gz NSPKPXABYIGPEQ-UHFFFAOYSA-N -1 3 392.411 3.148 20 0 GGADHM Cc1noc([C@H](C)OC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000046451852 1404421929 /nfs/dbraw/zinc/42/19/29/1404421929.db2.gz ANYJHMLUQMPPRZ-UGSOOPFHSA-N -1 3 395.415 3.249 20 0 GGADHM Cc1cc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)on1 ZINC000046451903 1404421940 /nfs/dbraw/zinc/42/19/40/1404421940.db2.gz DKHXCFXVQLLLQD-IBGZPJMESA-N -1 3 380.400 3.293 20 0 GGADHM CCC(C)(C)C1CCC(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000046566715 1404486524 /nfs/dbraw/zinc/48/65/24/1404486524.db2.gz VWMFECLESVCJNA-JEYLPNPQSA-N -1 3 399.557 3.069 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)s1 ZINC000046600489 1404500490 /nfs/dbraw/zinc/50/04/90/1404500490.db2.gz IPFUBNBPLRINLZ-CQSZACIVSA-N -1 3 387.505 3.299 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCc2ccccc2)ccc1F ZINC000046639943 1404524635 /nfs/dbraw/zinc/52/46/35/1404524635.db2.gz ZDAZKYNNOHMJTM-UHFFFAOYSA-N -1 3 392.496 3.217 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000046648069 1404531077 /nfs/dbraw/zinc/53/10/77/1404531077.db2.gz UUFQGDDTLDINFW-MRXNPFEDSA-N -1 3 392.463 3.455 20 0 GGADHM Cc1ccc(OCCCCNC(=O)N[N-]C(=O)c2ccccc2Cl)cc1 ZINC000046794520 1404591383 /nfs/dbraw/zinc/59/13/83/1404591383.db2.gz UXBPXYMJEXUPNH-UHFFFAOYSA-N -1 3 375.856 3.452 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000046851258 1404610871 /nfs/dbraw/zinc/61/08/71/1404610871.db2.gz KFLRMFKWYOICFZ-UHFFFAOYSA-N -1 3 375.428 3.196 20 0 GGADHM Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1C(F)(F)F ZINC000046851256 1404611113 /nfs/dbraw/zinc/61/11/13/1404611113.db2.gz ZPESKTQYJKKSJF-UHFFFAOYSA-N -1 3 381.354 3.271 20 0 GGADHM O=C(NCc1cccc(Oc2ccccc2)c1)NNC(=O)c1ccccc1[O-] ZINC000047051124 1404687868 /nfs/dbraw/zinc/68/78/68/1404687868.db2.gz NDJPEDMXIACRNW-UHFFFAOYSA-N -1 3 377.400 3.329 20 0 GGADHM CCCc1c(C(=O)N[N-]C(=O)c2ccccc2F)cnn1Cc1ccccc1 ZINC000047054957 1404689801 /nfs/dbraw/zinc/68/98/01/1404689801.db2.gz XQAJQCCLVUJPIX-UHFFFAOYSA-N -1 3 380.423 3.098 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCc2ccoc2)CC1 ZINC000047088514 1404701955 /nfs/dbraw/zinc/70/19/55/1404701955.db2.gz WRUNMVBYJFFYMJ-UHFFFAOYSA-N -1 3 377.828 3.199 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000047126001 1404715098 /nfs/dbraw/zinc/71/50/98/1404715098.db2.gz JECINQFLTKOWOX-NSHDSACASA-N -1 3 394.244 3.163 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCc2ccccc2C1 ZINC000047267906 1404777480 /nfs/dbraw/zinc/77/74/80/1404777480.db2.gz RLNKIOZZIRUXEF-UHFFFAOYSA-N -1 3 399.447 3.153 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCc2ccccc21 ZINC000047268293 1404777561 /nfs/dbraw/zinc/77/75/61/1404777561.db2.gz NMDVOIBWCSMEIR-UHFFFAOYSA-N -1 3 385.420 3.158 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000047269357 1404778692 /nfs/dbraw/zinc/77/86/92/1404778692.db2.gz NNBAFKLSYYKMPY-STQMWFEESA-N -1 3 379.457 3.073 20 0 GGADHM C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047271366 1404778949 /nfs/dbraw/zinc/77/89/49/1404778949.db2.gz ZZAGOZBBGSAQKM-UHFFFAOYSA-N -1 3 383.404 3.188 20 0 GGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047295992 1404793576 /nfs/dbraw/zinc/79/35/76/1404793576.db2.gz LAPBNUXSPWWHRF-IUODEOHRSA-N -1 3 379.457 3.263 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000047327685 1404806833 /nfs/dbraw/zinc/80/68/33/1404806833.db2.gz FOFFQRPROYFFBF-UHFFFAOYSA-N -1 3 398.850 3.292 20 0 GGADHM Cc1cnc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000047350812 1404813594 /nfs/dbraw/zinc/81/35/94/1404813594.db2.gz HEURPICPFYMFHQ-UHFFFAOYSA-N -1 3 394.884 3.115 20 0 GGADHM Cc1nc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)sc1-c1ccccc1 ZINC000047449663 1404840563 /nfs/dbraw/zinc/84/05/63/1404840563.db2.gz FWJOSWKQHUKOAE-UHFFFAOYSA-N -1 3 391.474 3.214 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)c(C)c1 ZINC000047454422 1404842528 /nfs/dbraw/zinc/84/25/28/1404842528.db2.gz AYPCGLTXTHXGTI-UHFFFAOYSA-N -1 3 378.450 3.080 20 0 GGADHM CN(C)Cc1cccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000047460497 1404844570 /nfs/dbraw/zinc/84/45/70/1404844570.db2.gz FVPTZHDWMILGTL-UHFFFAOYSA-N -1 3 382.489 3.149 20 0 GGADHM Cc1cc(OCCCC(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1Cl ZINC000047545167 1404864378 /nfs/dbraw/zinc/86/43/78/1404864378.db2.gz OSWBDLJOUYCBJI-UHFFFAOYSA-N -1 3 390.867 3.059 20 0 GGADHM O=C(CCc1ccc(-c2ccccc2)o1)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552675 1404865839 /nfs/dbraw/zinc/86/58/39/1404865839.db2.gz PWMADSIMZSEDAX-UHFFFAOYSA-N -1 3 378.428 3.131 20 0 GGADHM O=C(NCCNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc([O-])cc1 ZINC000047552925 1404865923 /nfs/dbraw/zinc/86/59/23/1404865923.db2.gz QPJOXQNMVFJFJC-UHFFFAOYSA-N -1 3 376.412 3.344 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cn1 ZINC000047557193 1404866917 /nfs/dbraw/zinc/86/69/17/1404866917.db2.gz JRDRUOLIJMKLQW-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM COC[C@H](C)NC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000047582590 1404871831 /nfs/dbraw/zinc/87/18/31/1404871831.db2.gz XQZLMVHFHINBII-AWEZNQCLSA-N -1 3 393.534 3.117 20 0 GGADHM COC[C@@H](C)NC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000047582593 1404871929 /nfs/dbraw/zinc/87/19/29/1404871929.db2.gz XQZLMVHFHINBII-CQSZACIVSA-N -1 3 393.534 3.117 20 0 GGADHM COc1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000047714852 1404899910 /nfs/dbraw/zinc/89/99/10/1404899910.db2.gz GXIMDKUJVXDDDT-UHFFFAOYSA-N -1 3 376.403 3.073 20 0 GGADHM O=C(/C=C/c1ccccc1OC(F)(F)F)OCC(=O)[N-]C(=O)c1cccs1 ZINC000047760917 1404928905 /nfs/dbraw/zinc/92/89/05/1404928905.db2.gz QBDXWWRBMUEZDT-BQYQJAHWSA-N -1 3 399.346 3.160 20 0 GGADHM CCCOc1ccc(Cl)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047760345 1404929151 /nfs/dbraw/zinc/92/91/51/1404929151.db2.gz CFRIALITURGNJJ-UHFFFAOYSA-N -1 3 391.855 3.386 20 0 GGADHM O=C(COC(=O)c1ccccc1SC(F)(F)F)[N-]C(=O)c1cccs1 ZINC000047769047 1404935862 /nfs/dbraw/zinc/93/58/62/1404935862.db2.gz AOCWEEXROSYCKW-UHFFFAOYSA-N -1 3 389.376 3.473 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCCCCCC1 ZINC000048185428 1405091096 /nfs/dbraw/zinc/09/10/96/1405091096.db2.gz GBCWOUDLXPZNTA-UHFFFAOYSA-N -1 3 379.457 3.361 20 0 GGADHM CC(=O)c1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000048244503 1405111231 /nfs/dbraw/zinc/11/12/31/1405111231.db2.gz KNZTUPSQJDPVII-UHFFFAOYSA-N -1 3 390.461 3.057 20 0 GGADHM Cc1ccc(F)cc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048244543 1405111440 /nfs/dbraw/zinc/11/14/40/1405111440.db2.gz HRTLWGAYWBEZKZ-UHFFFAOYSA-N -1 3 380.441 3.302 20 0 GGADHM Cc1cc(F)ccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048244722 1405112094 /nfs/dbraw/zinc/11/20/94/1405112094.db2.gz MGMMQBPZIQASGF-UHFFFAOYSA-N -1 3 380.441 3.302 20 0 GGADHM COc1ccc(S[C@@H](C)C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1 ZINC000048314213 1405140992 /nfs/dbraw/zinc/14/09/92/1405140992.db2.gz ZBOHZBDYJLYEAU-ZDUSSCGKSA-N -1 3 381.457 3.185 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000048321065 1405143839 /nfs/dbraw/zinc/14/38/39/1405143839.db2.gz CGVINCFGZRPFBN-UHFFFAOYSA-N -1 3 395.506 3.188 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCCC1 ZINC000048438697 1405191219 /nfs/dbraw/zinc/19/12/19/1405191219.db2.gz PIFIPCUGLOLGHP-KRWDZBQOSA-N -1 3 396.459 3.089 20 0 GGADHM CCCCCC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000048661793 1405251687 /nfs/dbraw/zinc/25/16/87/1405251687.db2.gz IIMJCIIBTFQNBV-HNNXBMFYSA-N -1 3 398.507 3.413 20 0 GGADHM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc2c(cc1[O-])OCO2 ZINC000048680470 1405255659 /nfs/dbraw/zinc/25/56/59/1405255659.db2.gz AOXZZEPKHCNZNG-UHFFFAOYSA-N -1 3 383.322 3.130 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COCc3cccc(OC)c3)c2)n1 ZINC000049301685 1405361527 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20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(OC)c(F)c3)c2)n1 ZINC000049303969 1405363438 /nfs/dbraw/zinc/36/34/38/1405363438.db2.gz KLNYKYDQEIVQPS-UHFFFAOYSA-N -1 3 381.407 3.328 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C)cc2)cc1OC ZINC000050040123 1405460001 /nfs/dbraw/zinc/46/00/01/1405460001.db2.gz XMJKBEHSCIOPCA-UHFFFAOYSA-N -1 3 377.466 3.087 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000050040469 1405460977 /nfs/dbraw/zinc/46/09/77/1405460977.db2.gz IFZWDQYAGIKSCP-UHFFFAOYSA-N -1 3 397.884 3.432 20 0 GGADHM CC1CCC(N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CC2)CC1 ZINC000820690593 1427380105 /nfs/dbraw/zinc/38/01/05/1427380105.db2.gz OKRVKGXUGWYQNE-UHFFFAOYSA-N -1 3 379.468 3.460 20 0 GGADHM CC1CCC(N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C2CC2)CC1 ZINC000820690593 1427380111 /nfs/dbraw/zinc/38/01/11/1427380111.db2.gz OKRVKGXUGWYQNE-UHFFFAOYSA-N -1 3 379.468 3.460 20 0 GGADHM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)cc2N1 ZINC000050534493 1405597280 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CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000051237784 1405751420 /nfs/dbraw/zinc/75/14/20/1405751420.db2.gz YZQVXSQFTFNNEM-BEFAXECRSA-N -1 3 393.443 3.202 20 0 GGADHM C[C@@H](Sc1ccccc1Cl)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000052007062 1405897775 /nfs/dbraw/zinc/89/77/75/1405897775.db2.gz ABWANGDUNFPEHO-SNVBAGLBSA-N -1 3 383.878 3.382 20 0 GGADHM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000052025281 1405904177 /nfs/dbraw/zinc/90/41/77/1405904177.db2.gz AIPYZJLCGNNEPV-UHFFFAOYSA-N -1 3 393.530 3.299 20 0 GGADHM Cc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000052312678 1406014491 /nfs/dbraw/zinc/01/44/91/1406014491.db2.gz RGTNHUOSGXNKMK-UHFFFAOYSA-N -1 3 387.436 3.193 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000052405464 1406042614 /nfs/dbraw/zinc/04/26/14/1406042614.db2.gz AUJHUKKQZVBPKB-JTQLQIEISA-N -1 3 386.429 3.177 20 0 GGADHM CCOC(=O)C(C#N)=CNc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000052528839 1406075722 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CC(C)Oc1cc(Br)ccc1C(=O)N[N-]C(=O)c1ccccc1F ZINC000057032101 1407505345 /nfs/dbraw/zinc/50/53/45/1407505345.db2.gz JHWOKLBHNKWVJF-UHFFFAOYSA-N -1 3 395.228 3.450 20 0 GGADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000057122434 1407525366 /nfs/dbraw/zinc/52/53/66/1407525366.db2.gz TVRZHEZPOXMKSX-UHFFFAOYSA-N -1 3 378.450 3.397 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1F ZINC000057124158 1407527699 /nfs/dbraw/zinc/52/76/99/1407527699.db2.gz URGGKUFPDZUELH-UHFFFAOYSA-N -1 3 383.441 3.277 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)c(F)c2)cc1 ZINC000057124175 1407527994 /nfs/dbraw/zinc/52/79/94/1407527994.db2.gz HJDRVDKDPWHXMR-UHFFFAOYSA-N -1 3 383.441 3.441 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000057125116 1407528595 /nfs/dbraw/zinc/52/85/95/1407528595.db2.gz CGUFNGQKQIWMFB-UHFFFAOYSA-N -1 3 389.408 3.484 20 0 GGADHM CC[C@H](NC(=O)N[N-]C(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000057234055 1407564442 /nfs/dbraw/zinc/56/44/42/1407564442.db2.gz SGPMJSBEOFLENB-HNNXBMFYSA-N -1 3 389.839 3.207 20 0 GGADHM O=C(NCc1cccc(COc2ccccc2)c1)NNC(=O)c1ccccc1[O-] ZINC000057261874 1407572893 /nfs/dbraw/zinc/57/28/93/1407572893.db2.gz YXBBGEGYCYBYAN-UHFFFAOYSA-N -1 3 391.427 3.115 20 0 GGADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNC(=O)c1ccccc1[O-] ZINC000057428139 1407614303 /nfs/dbraw/zinc/61/43/03/1407614303.db2.gz QWQFBTQSEZNSOW-UHFFFAOYSA-N -1 3 393.877 3.234 20 0 GGADHM NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000057468346 1407628470 /nfs/dbraw/zinc/62/84/70/1407628470.db2.gz IZHCQPFLTLLWDB-UHFFFAOYSA-N -1 3 382.441 3.019 20 0 GGADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccc(F)cc1 ZINC000057620792 1407670502 /nfs/dbraw/zinc/67/05/02/1407670502.db2.gz CAOBCUAGFLBTLZ-UHFFFAOYSA-N -1 3 375.425 3.245 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3O)cc2)c1C ZINC000057632479 1407672484 /nfs/dbraw/zinc/67/24/84/1407672484.db2.gz AENIAYLJCQYZQK-UHFFFAOYSA-N -1 3 397.456 3.457 20 0 GGADHM Cc1nc(C)c(CCC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000057784756 1407715751 /nfs/dbraw/zinc/71/57/51/1407715751.db2.gz UETKAHQFZMONQE-UHFFFAOYSA-N -1 3 394.402 3.295 20 0 GGADHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000057784303 1407715880 /nfs/dbraw/zinc/71/58/80/1407715880.db2.gz HJLAKNDKWJSJKD-UHFFFAOYSA-N -1 3 383.408 3.064 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3cn4cc(C)ccc4n3)[n-]c(=O)c12 ZINC000057812971 1407724058 /nfs/dbraw/zinc/72/40/58/1407724058.db2.gz ICZFKSOMRVSXPR-UHFFFAOYSA-N -1 3 395.444 3.074 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OC[C@H]2CC=CC[C@@H]2C)cc1 ZINC000058184993 1407794739 /nfs/dbraw/zinc/79/47/39/1407794739.db2.gz DXZIMSCYUCWTRH-JKSUJKDBSA-N -1 3 381.494 3.361 20 0 GGADHM CCc1[nH]ncc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058255092 1407802995 /nfs/dbraw/zinc/80/29/95/1407802995.db2.gz WCVFCJKYZIXBNO-UHFFFAOYSA-N -1 3 384.461 3.334 20 0 GGADHM CCCC[C@@H](CCC)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000176357453 1428266347 /nfs/dbraw/zinc/26/63/47/1428266347.db2.gz KUACNNJKHVZBJK-QGZVFWFLSA-N -1 3 398.507 3.413 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(OC)c1 ZINC000058444167 1407828495 /nfs/dbraw/zinc/82/84/95/1407828495.db2.gz ZPSCHQVGRPTLHG-SFHVURJKSA-N -1 3 398.475 3.335 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000176361067 1428269029 /nfs/dbraw/zinc/26/90/29/1428269029.db2.gz NZUZYKFTFKMCRI-UHFFFAOYSA-N -1 3 377.828 3.068 20 0 GGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC#N)c(Cl)cc1Cl ZINC000058868931 1407892158 /nfs/dbraw/zinc/89/21/58/1407892158.db2.gz NMKFGZDEMXIFMO-SECBINFHSA-N -1 3 379.265 3.141 20 0 GGADHM CCN(CCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C ZINC000059829209 1407926190 /nfs/dbraw/zinc/92/61/90/1407926190.db2.gz LKIHYRXPEYFZHQ-UHFFFAOYSA-N -1 3 382.935 3.327 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(OC(F)F)cc1 ZINC000059893025 1407928825 /nfs/dbraw/zinc/92/88/25/1407928825.db2.gz LNIPNIUSIIABPM-UHFFFAOYSA-N -1 3 376.359 3.141 20 0 GGADHM Cc1cc(C)c(NC(=S)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000060433187 1407975871 /nfs/dbraw/zinc/97/58/71/1407975871.db2.gz JCPXSJZCROCLCF-UHFFFAOYSA-N -1 3 377.897 3.379 20 0 GGADHM O=C(NCCNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000060433172 1407976394 /nfs/dbraw/zinc/97/63/94/1407976394.db2.gz OTGSCBQIUNUMGV-UHFFFAOYSA-N -1 3 383.395 3.127 20 0 GGADHM O=C(NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000060433223 1407976918 /nfs/dbraw/zinc/97/69/18/1407976918.db2.gz OTTFGLBPNHIILN-UHFFFAOYSA-N -1 3 384.288 3.415 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000060657371 1408018580 /nfs/dbraw/zinc/01/85/80/1408018580.db2.gz NYWOBFYXIASUTJ-UHFFFAOYSA-N -1 3 399.454 3.171 20 0 GGADHM O=C(COC(=O)c1ccc([O-])cc1)NCc1ccc(COc2ccccc2)cc1 ZINC000060787175 1408033901 /nfs/dbraw/zinc/03/39/01/1408033901.db2.gz FFMAJWFWVBEOLM-UHFFFAOYSA-N -1 3 391.423 3.444 20 0 GGADHM Cc1cc(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)c(C)n1Cc1ccco1 ZINC000060866166 1408044867 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3.486 20 0 GGADHM O=C(CCOc1ccccc1)N[N-]C(=O)c1cc(Br)ccc1Cl ZINC000061481859 1408137103 /nfs/dbraw/zinc/13/71/03/1408137103.db2.gz VAXRDXHWUQXAAC-UHFFFAOYSA-N -1 3 397.656 3.333 20 0 GGADHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)n1-c1ccccc1C ZINC000061621475 1408153726 /nfs/dbraw/zinc/15/37/26/1408153726.db2.gz PGWAACFPHOVTLH-UHFFFAOYSA-N -1 3 391.471 3.268 20 0 GGADHM CC(C)c1cccc(O[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000061766179 1408172291 /nfs/dbraw/zinc/17/22/91/1408172291.db2.gz LMLUSWWHOGWLRI-ZDUSSCGKSA-N -1 3 375.446 3.139 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)c(C)o1 ZINC000176393866 1428296569 /nfs/dbraw/zinc/29/65/69/1428296569.db2.gz ORMVSAXNHIBYSZ-QGZVFWFLSA-N -1 3 378.494 3.322 20 0 GGADHM Fc1ccc(CN2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737646996 1428296629 /nfs/dbraw/zinc/29/66/29/1428296629.db2.gz BXJNTMOVJVGCSC-UHFFFAOYSA-N -1 3 386.862 3.372 20 0 GGADHM Fc1ccc(CN2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737646996 1428296633 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3.306 20 0 GGADHM Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1F ZINC000063198063 1408314837 /nfs/dbraw/zinc/31/48/37/1408314837.db2.gz QOJWBARKAVFMAN-UHFFFAOYSA-N -1 3 381.379 3.077 20 0 GGADHM CCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000063305010 1408332909 /nfs/dbraw/zinc/33/29/09/1408332909.db2.gz ANZUDEKPXRBSHC-OAHLLOKOSA-N -1 3 376.478 3.468 20 0 GGADHM O=C(NCc1ccccc1Oc1ccccc1)NNC(=O)c1ccccc1[O-] ZINC000063404396 1408349466 /nfs/dbraw/zinc/34/94/66/1408349466.db2.gz WZYVHTHPKGOCMX-UHFFFAOYSA-N -1 3 377.400 3.329 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC)cc2)cc1 ZINC000063442997 1408354826 /nfs/dbraw/zinc/35/48/26/1408354826.db2.gz JBEDJOSVSYQBBG-UHFFFAOYSA-N -1 3 392.477 3.251 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC)c2)cc1 ZINC000063443048 1408354841 /nfs/dbraw/zinc/35/48/41/1408354841.db2.gz KQSVGTOWINCXDT-UHFFFAOYSA-N -1 3 395.477 3.310 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)N(C)C)cc1 ZINC000063586772 1408375065 /nfs/dbraw/zinc/37/50/65/1408375065.db2.gz IUMGHZIYTRQKAV-QGZVFWFLSA-N -1 3 382.489 3.339 20 0 GGADHM Cc1ccc(NC(=O)COC(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000063680736 1408390394 /nfs/dbraw/zinc/39/03/94/1408390394.db2.gz ANZRWNVUZFDXES-UHFFFAOYSA-N -1 3 380.441 3.298 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccccc2Cl)o1 ZINC000063875330 1408435092 /nfs/dbraw/zinc/43/50/92/1408435092.db2.gz BGEVGBMTMMNEND-UHFFFAOYSA-N -1 3 380.901 3.406 20 0 GGADHM CCOc1ccc(C(=O)C2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001139852325 1428318468 /nfs/dbraw/zinc/31/84/68/1428318468.db2.gz AWWWAQCUEHNSBU-UHFFFAOYSA-N -1 3 391.475 3.360 20 0 GGADHM CCOc1ccc(C(=O)C2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001139852325 1428318473 /nfs/dbraw/zinc/31/84/73/1428318473.db2.gz AWWWAQCUEHNSBU-UHFFFAOYSA-N -1 3 391.475 3.360 20 0 GGADHM NC(=O)c1ccc(-c2nc(COC(=O)c3cc(-c4ccco4)[n-]n3)cs2)cc1 ZINC000063955765 1408453392 /nfs/dbraw/zinc/45/33/92/1408453392.db2.gz SLQNYGVOODWGAT-UHFFFAOYSA-N -1 3 394.412 3.249 20 0 GGADHM NC(=O)c1ccc(-c2nc(COC(=O)c3cc(-c4ccco4)n[n-]3)cs2)cc1 ZINC000063955765 1408453411 /nfs/dbraw/zinc/45/34/11/1408453411.db2.gz SLQNYGVOODWGAT-UHFFFAOYSA-N -1 3 394.412 3.249 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)CCc2cccc(Cl)c2)o1 ZINC000064047978 1408474883 /nfs/dbraw/zinc/47/48/83/1408474883.db2.gz MLGAOKAHIPYYAJ-UHFFFAOYSA-N -1 3 377.872 3.169 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000064142089 1408494755 /nfs/dbraw/zinc/49/47/55/1408494755.db2.gz NOBKCLWIFKUSJH-UHFFFAOYSA-N -1 3 376.844 3.157 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000176463505 1428327860 /nfs/dbraw/zinc/32/78/60/1428327860.db2.gz QBNHUQWABMMHHX-NSHDSACASA-N -1 3 377.872 3.227 20 0 GGADHM C[C@@H]1CN(c2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)C[C@H](C)O1 ZINC000064467543 1408560365 /nfs/dbraw/zinc/56/03/65/1408560365.db2.gz DQVQANVVZAGRLR-WQWSMTKPSA-N -1 3 377.444 3.023 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CN2CCC(Oc3cc(C)ccc3C)CC2)cc1 ZINC000064631931 1408588367 /nfs/dbraw/zinc/58/83/67/1408588367.db2.gz YRUAGWPJJJNZKQ-UHFFFAOYSA-N -1 3 396.487 3.112 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000064656233 1408592393 /nfs/dbraw/zinc/59/23/93/1408592393.db2.gz ZBAJMIDTKCNBSF-ROUUACIJSA-N -1 3 384.863 3.134 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@@H](C)c1ccccc1 ZINC000176475006 1428331868 /nfs/dbraw/zinc/33/18/68/1428331868.db2.gz AATFCQGRWCMLAF-IAGOWNOFSA-N -1 3 381.476 3.052 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000064956710 1408631775 /nfs/dbraw/zinc/63/17/75/1408631775.db2.gz ZPCWBIARYZHGJQ-GXTWGEPZSA-N -1 3 384.423 3.218 20 0 GGADHM O=C1[N-]C(=O)C(=CNCCc2cc(Br)ccc2F)c2ccccc21 ZINC000065223312 1408654686 /nfs/dbraw/zinc/65/46/86/1408654686.db2.gz MJYFMOSYLBILTK-XNTDXEJSSA-N -1 3 389.224 3.031 20 0 GGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC000065277930 1408658668 /nfs/dbraw/zinc/65/86/68/1408658668.db2.gz WPMTWCHEDCOSOY-OAHLLOKOSA-N 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ZINC000065753370 1408724242 /nfs/dbraw/zinc/72/42/42/1408724242.db2.gz CPUPWAXKSIIMTD-SNVBAGLBSA-N -1 3 380.429 3.405 20 0 GGADHM Cc1cc(NC(=O)N[N-]C(=O)c2ccccc2Cl)n(Cc2ccccc2)n1 ZINC000065771257 1408727505 /nfs/dbraw/zinc/72/75/05/1408727505.db2.gz VBUAXHLRBRSADN-UHFFFAOYSA-N -1 3 383.839 3.360 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(CCc2ccccc2)CC1 ZINC000065775990 1408727874 /nfs/dbraw/zinc/72/78/74/1408727874.db2.gz QXLHONRZLFMYJN-UHFFFAOYSA-N -1 3 377.444 3.447 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000065776443 1408727959 /nfs/dbraw/zinc/72/79/59/1408727959.db2.gz GSDAOSWSENVDEM-UHFFFAOYSA-N -1 3 390.399 3.123 20 0 GGADHM COc1ccc2cc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)ccc2c1 ZINC000065776400 1408728122 /nfs/dbraw/zinc/72/81/22/1408728122.db2.gz WUDLEZVGPTZKMK-UHFFFAOYSA-N -1 3 375.384 3.054 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065787345 1408729928 /nfs/dbraw/zinc/72/99/28/1408729928.db2.gz KWWMFRFAUXWENM-UHFFFAOYSA-N -1 3 377.322 3.253 20 0 GGADHM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000065803352 1408733137 /nfs/dbraw/zinc/73/31/37/1408733137.db2.gz PVCZTDGGHIVRHW-LBPRGKRZSA-N -1 3 398.525 3.325 20 0 GGADHM CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065816832 1408734902 /nfs/dbraw/zinc/73/49/02/1408734902.db2.gz YDXSCKQPXJOCDD-UHFFFAOYSA-N -1 3 387.823 3.156 20 0 GGADHM O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1sccc1-c1ccc(F)cc1 ZINC000065841805 1408740399 /nfs/dbraw/zinc/74/03/99/1408740399.db2.gz WRQCVFSJFCUYQR-UHFFFAOYSA-N -1 3 398.415 3.400 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(=O)[n-]1 ZINC000065843613 1408740686 /nfs/dbraw/zinc/74/06/86/1408740686.db2.gz CNRRPTNCVJYNTP-UHFFFAOYSA-N -1 3 396.491 3.021 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1F ZINC000065885950 1408747715 /nfs/dbraw/zinc/74/77/15/1408747715.db2.gz LNQMZVNTFFFBGM-OAHLLOKOSA-N -1 3 398.450 3.294 20 0 GGADHM O=C(N[N-]C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)NC1CCCC1 ZINC000065919040 1408754074 /nfs/dbraw/zinc/75/40/74/1408754074.db2.gz BYGYUSYAJLPPNW-UHFFFAOYSA-N -1 3 382.251 3.066 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(CC)CC2)ccc1F ZINC000066026113 1408775497 /nfs/dbraw/zinc/77/54/97/1408775497.db2.gz HMVXQJBEKMDATL-UHFFFAOYSA-N -1 3 382.501 3.236 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCOc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000066028750 1408775978 /nfs/dbraw/zinc/77/59/78/1408775978.db2.gz ZNVFDFWHPPDHBS-UHFFFAOYSA-N -1 3 391.471 3.182 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)cc2C(F)(F)F)cn1C ZINC000066103152 1408781842 /nfs/dbraw/zinc/78/18/42/1408781842.db2.gz CKGBVGKWDOBOKZ-UHFFFAOYSA-N -1 3 391.415 3.013 20 0 GGADHM CC(C)c1ccccc1NC(=S)NNC(=O)c1c[n-]c2ccccc2c1=O ZINC000066122669 1408782418 /nfs/dbraw/zinc/78/24/18/1408782418.db2.gz QETKUAPYNNEGNE-UHFFFAOYSA-N -1 3 380.473 3.283 20 0 GGADHM NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000066143235 1408784577 /nfs/dbraw/zinc/78/45/77/1408784577.db2.gz AXFAFEIZBHHZPL-IBGZPJMESA-N -1 3 380.488 3.295 20 0 GGADHM NC(=O)CC[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000066143233 1408784718 /nfs/dbraw/zinc/78/47/18/1408784718.db2.gz AXFAFEIZBHHZPL-LJQANCHMSA-N -1 3 380.488 3.295 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OCC4CC4)nc3)c2)n1 ZINC000066315394 1408810519 /nfs/dbraw/zinc/81/05/19/1408810519.db2.gz WJPXEPHXAWSVPP-UHFFFAOYSA-N -1 3 390.443 3.435 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1F ZINC000066458944 1408842004 /nfs/dbraw/zinc/84/20/04/1408842004.db2.gz PDEZUQSWLFRRBQ-OAHLLOKOSA-N -1 3 390.480 3.166 20 0 GGADHM C[C@@H](CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000066459018 1408842060 /nfs/dbraw/zinc/84/20/60/1408842060.db2.gz ZKFMWRGVWQSJKG-AWEZNQCLSA-N -1 3 390.480 3.142 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccc(C)nc32)ccc1F ZINC000066462329 1408842487 /nfs/dbraw/zinc/84/24/87/1408842487.db2.gz ZRULXOQOHSNVGS-UHFFFAOYSA-N -1 3 399.447 3.399 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c(=O)[n-]1 ZINC000066509541 1408850359 /nfs/dbraw/zinc/85/03/59/1408850359.db2.gz GQNQGDZXQBONEN-UHFFFAOYSA-N -1 3 393.409 3.186 20 0 GGADHM NC(=O)CCOc1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000066581559 1408860685 /nfs/dbraw/zinc/86/06/85/1408860685.db2.gz TUXDJMZLLFECOO-ZRDIBKRKSA-N -1 3 380.853 3.007 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1 ZINC000066586307 1408861305 /nfs/dbraw/zinc/86/13/05/1408861305.db2.gz OSDNTSAKRYQHNX-UHFFFAOYSA-N -1 3 376.478 3.464 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1OC ZINC000066585691 1408861353 /nfs/dbraw/zinc/86/13/53/1408861353.db2.gz BWCMUIBRDHDNDX-UHFFFAOYSA-N -1 3 393.852 3.344 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)NCCCc2cccc(Br)c2)n1 ZINC000066619098 1408869812 /nfs/dbraw/zinc/86/98/12/1408869812.db2.gz ITOFISCPCXDIRC-UHFFFAOYSA-N -1 3 378.274 3.115 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1ccc2ncccc2c1 ZINC000066766646 1408907095 /nfs/dbraw/zinc/90/70/95/1408907095.db2.gz CRBASOYSZSZFIR-UHFFFAOYSA-N -1 3 387.375 3.165 20 0 GGADHM O=C(OCc1ccccn1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000066778312 1408912063 /nfs/dbraw/zinc/91/20/63/1408912063.db2.gz OVOKSSCUTMNDFB-UHFFFAOYSA-N -1 3 386.404 3.379 20 0 GGADHM CCN(CC)c1ccc(CNC(=O)N[N-]C(=O)c2ccccc2Cl)cc1F ZINC000066978905 1408970121 /nfs/dbraw/zinc/97/01/21/1408970121.db2.gz XUQICYVNYUVYII-UHFFFAOYSA-N -1 3 392.862 3.470 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4nc(C5CCC5)[nH]c4c3)cc12 ZINC000176581804 1428370166 /nfs/dbraw/zinc/37/01/66/1428370166.db2.gz CJLKBYDELOAUJJ-UHFFFAOYSA-N -1 3 396.476 3.221 20 0 GGADHM COc1c(C)cnc(CN(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1C ZINC000176571489 1428366882 /nfs/dbraw/zinc/36/68/82/1428366882.db2.gz WWHGTDSKLVXNPH-UHFFFAOYSA-N -1 3 379.464 3.106 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2F)ccc1F ZINC000067090075 1409007384 /nfs/dbraw/zinc/00/73/84/1409007384.db2.gz HWBLPWDVPRHFSK-UHFFFAOYSA-N -1 3 386.395 3.433 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)cc1 ZINC000067124291 1409014092 /nfs/dbraw/zinc/01/40/92/1409014092.db2.gz KUOZUQQYJHPUCJ-UHFFFAOYSA-N -1 3 397.456 3.452 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1cccc2cccnc21 ZINC000067135234 1409017858 /nfs/dbraw/zinc/01/78/58/1409017858.db2.gz MJQOKRKIOMPJIQ-UHFFFAOYSA-N -1 3 377.433 3.105 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1cccc2cccnc21 ZINC000067148051 1409021781 /nfs/dbraw/zinc/02/17/81/1409021781.db2.gz MLNIBHSMJKKHBU-UHFFFAOYSA-N -1 3 387.375 3.165 20 0 GGADHM Cc1nccn1CCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000067701136 1409208813 /nfs/dbraw/zinc/20/88/13/1409208813.db2.gz IKPWWQFEZWJHOT-UHFFFAOYSA-N -1 3 398.488 3.411 20 0 GGADHM O=c1[n-]nc(SCCCOc2ccc3ccccc3c2)n1C[C@H]1CCCO1 ZINC000067736491 1409218263 /nfs/dbraw/zinc/21/82/63/1409218263.db2.gz MCMHRVZBPABIJE-GOSISDBHSA-N -1 3 385.489 3.465 20 0 GGADHM COc1ccc(C2(CNC(=O)NNC(=O)c3ccccc3[O-])CCCCC2)cc1 ZINC000067774346 1409227346 /nfs/dbraw/zinc/22/73/46/1409227346.db2.gz WHAJUZKUMHXSJB-UHFFFAOYSA-N -1 3 397.475 3.247 20 0 GGADHM CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[nH]n1 ZINC000176629730 1428384720 /nfs/dbraw/zinc/38/47/20/1428384720.db2.gz FQAAGOUVAPOCCX-UHFFFAOYSA-N -1 3 390.871 3.383 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1 ZINC000067874910 1409247849 /nfs/dbraw/zinc/24/78/49/1409247849.db2.gz KEGLVJLDBMXHRC-UHFFFAOYSA-N -1 3 389.521 3.344 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000067874310 1409247860 /nfs/dbraw/zinc/24/78/60/1409247860.db2.gz VSXFNMTYARKORX-UHFFFAOYSA-N -1 3 390.461 3.387 20 0 GGADHM CCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000067927968 1409257811 /nfs/dbraw/zinc/25/78/11/1409257811.db2.gz ANZUDEKPXRBSHC-HNNXBMFYSA-N -1 3 376.478 3.468 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000068038766 1409283747 /nfs/dbraw/zinc/28/37/47/1409283747.db2.gz HHEXAKCTTZSUHF-UHFFFAOYSA-N -1 3 397.903 3.340 20 0 GGADHM CSc1cc2c(cc1[N-]C(=O)c1nc(C)n(-c3ccccc3)n1)OCCO2 ZINC000068093412 1409300976 /nfs/dbraw/zinc/30/09/76/1409300976.db2.gz OAXNGDAWSDTKOJ-UHFFFAOYSA-N -1 3 382.445 3.321 20 0 GGADHM O=C1[N-]C(=O)c2cc(S(=O)(=O)N(Cc3ccsc3)c3ccccc3)ccc21 ZINC000068216408 1409332120 /nfs/dbraw/zinc/33/21/20/1409332120.db2.gz ZJOIHQASDSGING-UHFFFAOYSA-N -1 3 398.465 3.027 20 0 GGADHM CCc1noc(-c2ccc(CCNC(=O)c3c[n-]c4ccccc4c3=O)cc2)n1 ZINC000068221877 1409333523 /nfs/dbraw/zinc/33/35/23/1409333523.db2.gz KJKRYPNGRNQXSV-UHFFFAOYSA-N -1 3 388.427 3.113 20 0 GGADHM O=Cc1cccc(OCc2ccccc2C(=O)N[N-]C(=O)c2ccccc2F)c1 ZINC000068228777 1409334837 /nfs/dbraw/zinc/33/48/37/1409334837.db2.gz GHJMEXDMZIMDMC-UHFFFAOYSA-N -1 3 392.386 3.292 20 0 GGADHM Cc1n[nH]cc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000068238941 1409337683 /nfs/dbraw/zinc/33/76/83/1409337683.db2.gz ZDXYRBABFBSFOC-UHFFFAOYSA-N -1 3 398.488 3.066 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000176664739 1428396658 /nfs/dbraw/zinc/39/66/58/1428396658.db2.gz LNDKMZWXWXUKIG-KDOFPFPSSA-N -1 3 382.508 3.404 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3ccc(C=O)cc3)c2)n1 ZINC000068284432 1409352459 /nfs/dbraw/zinc/35/24/59/1409352459.db2.gz DVIWKRYPFLJMNR-UHFFFAOYSA-N -1 3 391.427 3.219 20 0 GGADHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000068321321 1409365234 /nfs/dbraw/zinc/36/52/34/1409365234.db2.gz HDZSAPUNSABRNJ-UHFFFAOYSA-N -1 3 375.429 3.034 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)c2cccnc2)cc1OC ZINC000068372101 1409382591 /nfs/dbraw/zinc/38/25/91/1409382591.db2.gz YOHIISDMILVTAA-CYBMUJFWSA-N -1 3 392.481 3.077 20 0 GGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000068409046 1409394054 /nfs/dbraw/zinc/39/40/54/1409394054.db2.gz MYULRFDQFMDTOD-CYBMUJFWSA-N -1 3 387.379 3.077 20 0 GGADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1nccs1 ZINC000068451357 1409406823 /nfs/dbraw/zinc/40/68/23/1409406823.db2.gz HVQLNZBSGXZWQK-UHFFFAOYSA-N -1 3 391.449 3.360 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1OC ZINC000068578273 1409443206 /nfs/dbraw/zinc/44/32/06/1409443206.db2.gz BFKQKOTUWLOWAZ-UHFFFAOYSA-N -1 3 379.438 3.109 20 0 GGADHM CCOc1ccc(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000068578272 1409443498 /nfs/dbraw/zinc/44/34/98/1409443498.db2.gz IAZBSWIPYCYHBM-UHFFFAOYSA-N -1 3 393.465 3.500 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CCc2ccco2)cc1OC ZINC000068579244 1409444173 /nfs/dbraw/zinc/44/41/73/1409444173.db2.gz CZRMNZIYQLQRAB-CYBMUJFWSA-N -1 3 395.481 3.193 20 0 GGADHM CCCOc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1OC ZINC000068626063 1409450947 /nfs/dbraw/zinc/45/09/47/1409450947.db2.gz AHTFIZRFDSFLJA-GFCCVEGCSA-N -1 3 397.431 3.250 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000068650062 1409455383 /nfs/dbraw/zinc/45/53/83/1409455383.db2.gz KYIZQQDNDUJNDV-CQSZACIVSA-N -1 3 383.835 3.463 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(OC)c(OC)c3)nc2)n1 ZINC000068658151 1409459025 /nfs/dbraw/zinc/45/90/25/1409459025.db2.gz DWZYHFAKDZDWQR-UHFFFAOYSA-N -1 3 380.448 3.048 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCN(c4ccccc4)C3)nc2)n1 ZINC000068665179 1409463325 /nfs/dbraw/zinc/46/33/25/1409463325.db2.gz WLLXEQSBTXPNEM-INIZCTEOSA-N -1 3 375.476 3.333 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccc(OC)cc4)C3)nc2)n1 ZINC000068696482 1409470555 /nfs/dbraw/zinc/47/05/55/1409470555.db2.gz OUPGRXNQLQCZQW-KRWDZBQOSA-N -1 3 376.460 3.397 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCN3c4ccccc4C[C@H]3C)nc2)n1 ZINC000068693858 1409470687 /nfs/dbraw/zinc/47/06/87/1409470687.db2.gz YMNWHQRGNQDMTQ-OAHLLOKOSA-N -1 3 375.476 3.257 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(F)cc4c3OCOC4)nc2)n1 ZINC000068698423 1409471400 /nfs/dbraw/zinc/47/14/00/1409471400.db2.gz NAZLONHMHWIQIV-UHFFFAOYSA-N -1 3 382.395 3.012 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccn3C)ccc2C)cc1 ZINC000068768972 1409488569 /nfs/dbraw/zinc/48/85/69/1409488569.db2.gz YVBZMWMHMGWVRN-UHFFFAOYSA-N -1 3 399.472 3.395 20 0 GGADHM CCOc1cccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000068842673 1409506019 /nfs/dbraw/zinc/50/60/19/1409506019.db2.gz ZVEZKLKOARSLHC-MRXNPFEDSA-N -1 3 397.475 3.020 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000068953357 1409531463 /nfs/dbraw/zinc/53/14/63/1409531463.db2.gz CFXCQSZQPPSNJQ-CQSZACIVSA-N -1 3 385.464 3.048 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(F)cc1F ZINC000069042167 1409551411 /nfs/dbraw/zinc/55/14/11/1409551411.db2.gz OEOOPWLJSBWNIN-LLVKDONJSA-N -1 3 388.386 3.048 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2nc(-c3ccccc3)oc2C)o1 ZINC000069297907 1409608493 /nfs/dbraw/zinc/60/84/93/1409608493.db2.gz NXYRMKIOYZHJKQ-UHFFFAOYSA-N -1 3 396.447 3.160 20 0 GGADHM CCCCc1noc([C@H](C)S(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)n1 ZINC000069300407 1409609748 /nfs/dbraw/zinc/60/97/48/1409609748.db2.gz DFNRKIHXCVUSEN-LBPRGKRZSA-N -1 3 381.502 3.188 20 0 GGADHM CCCCc1noc([C@H](C)S(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)n1 ZINC000069300407 1409609752 /nfs/dbraw/zinc/60/97/52/1409609752.db2.gz DFNRKIHXCVUSEN-LBPRGKRZSA-N -1 3 381.502 3.188 20 0 GGADHM CC(C)[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(-c2ccncc2)no1 ZINC000069437767 1409635548 /nfs/dbraw/zinc/63/55/48/1409635548.db2.gz BAYSQWDMVKBJNS-QGZVFWFLSA-N -1 3 389.415 3.100 20 0 GGADHM COc1ccc2nc(-c3cccc(I)c3)[n-]c(=O)c2c1 ZINC000069579258 1409655847 /nfs/dbraw/zinc/65/58/47/1409655847.db2.gz OIZIWIKXGCIPDV-UHFFFAOYSA-N -1 3 378.169 3.203 20 0 GGADHM CSCCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000069683150 1409674436 /nfs/dbraw/zinc/67/44/36/1409674436.db2.gz GWPVWTZRDIONGY-UHFFFAOYSA-N -1 3 399.516 3.288 20 0 GGADHM CC(C)C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000069693191 1409676570 /nfs/dbraw/zinc/67/65/70/1409676570.db2.gz NCWYOSQKGGSRDJ-OFQRWUPVSA-N -1 3 390.867 3.350 20 0 GGADHM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[N-]C(=O)c2ccccc2F)c1C ZINC000070671578 1409748847 /nfs/dbraw/zinc/74/88/47/1409748847.db2.gz LZTKVTXMPOTFES-ATVHPVEESA-N -1 3 382.439 3.412 20 0 GGADHM O=C([N-]NC(=O)c1c[nH]c2ccc(Br)cc12)c1ccccc1F ZINC000070707869 1409756533 /nfs/dbraw/zinc/75/65/33/1409756533.db2.gz PVUQOJJMWWOKHO-UHFFFAOYSA-N -1 3 376.185 3.144 20 0 GGADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070730935 1409761888 /nfs/dbraw/zinc/76/18/88/1409761888.db2.gz WKARGWDCUADSGS-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070730935 1409761893 /nfs/dbraw/zinc/76/18/93/1409761893.db2.gz WKARGWDCUADSGS-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000070964300 1409807028 /nfs/dbraw/zinc/80/70/28/1409807028.db2.gz VWOQWZRZNGLNNY-SNVBAGLBSA-N -1 3 385.816 3.432 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c(=O)[n-]1 ZINC000071078867 1409820249 /nfs/dbraw/zinc/82/02/49/1409820249.db2.gz CKOIYEGULVGBQQ-UHFFFAOYSA-N -1 3 379.464 3.402 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000071961867 1409833749 /nfs/dbraw/zinc/83/37/49/1409833749.db2.gz DOYLNPVYCGAVCQ-IRXDYDNUSA-N -1 3 392.377 3.061 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(Cl)c1N(C)C ZINC000072011378 1409837185 /nfs/dbraw/zinc/83/71/85/1409837185.db2.gz OPXYBIDSHRZJHF-UHFFFAOYSA-N -1 3 397.866 3.041 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)s2)ccc1F ZINC000091774165 1410080250 /nfs/dbraw/zinc/08/02/50/1410080250.db2.gz BJFJHVJJYWAHKV-UHFFFAOYSA-N -1 3 391.449 3.110 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000091815236 1410083574 /nfs/dbraw/zinc/08/35/74/1410083574.db2.gz TZFYCEGZWOHXSI-UHFFFAOYSA-N -1 3 390.487 3.153 20 0 GGADHM COc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc(Cl)c1OC ZINC000091811061 1410083932 /nfs/dbraw/zinc/08/39/32/1410083932.db2.gz KDGJXVQYWMGZQM-UHFFFAOYSA-N -1 3 390.867 3.021 20 0 GGADHM CCCCn1nc(C)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1Cl ZINC000091923516 1410092654 /nfs/dbraw/zinc/09/26/54/1410092654.db2.gz BHPHQNIOSWCLIR-UHFFFAOYSA-N -1 3 390.915 3.309 20 0 GGADHM CCCOc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1OC ZINC000091924475 1410092780 /nfs/dbraw/zinc/09/27/80/1410092780.db2.gz FNDYOCKUAPYIJD-UHFFFAOYSA-N -1 3 384.476 3.148 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000091924809 1410092896 /nfs/dbraw/zinc/09/28/96/1410092896.db2.gz DTGIJCMGBLRJNP-UHFFFAOYSA-N -1 3 383.467 3.090 20 0 GGADHM COc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1OC ZINC000091924806 1410093036 /nfs/dbraw/zinc/09/30/36/1410093036.db2.gz FYYFUSZRAUINNM-UHFFFAOYSA-N -1 3 390.867 3.021 20 0 GGADHM COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc(Cl)c1OC ZINC000091923780 1410093092 /nfs/dbraw/zinc/09/30/92/1410093092.db2.gz DXNUWDAAQZMCHX-UHFFFAOYSA-N -1 3 390.867 3.021 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000091923500 1410093169 /nfs/dbraw/zinc/09/31/69/1410093169.db2.gz KTJPLVZAEREDFB-UHFFFAOYSA-N -1 3 398.413 3.019 20 0 GGADHM Cc1ccc(-c2ncc(CN3CCN(C(=O)c4ccccc4[O-])CC3)s2)o1 ZINC000091924726 1410093182 /nfs/dbraw/zinc/09/31/82/1410093182.db2.gz SOQBTJVMSCNEGH-UHFFFAOYSA-N -1 3 383.473 3.375 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(OCc2ccccc2F)CC1 ZINC000092055581 1410102970 /nfs/dbraw/zinc/10/29/70/1410102970.db2.gz DFGLBIXMTNNQLZ-UHFFFAOYSA-N -1 3 381.407 3.296 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)cc1Cl ZINC000092264032 1410130308 /nfs/dbraw/zinc/13/03/08/1410130308.db2.gz VQXGYHNZTIXGEP-UHFFFAOYSA-N -1 3 399.875 3.089 20 0 GGADHM COc1cccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1OC ZINC000092540042 1410171556 /nfs/dbraw/zinc/17/15/56/1410171556.db2.gz YQKLPVIDONVCKS-UHFFFAOYSA-N -1 3 390.867 3.021 20 0 GGADHM CCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000093920047 1410285149 /nfs/dbraw/zinc/28/51/49/1410285149.db2.gz YJOVAVQNMCJRPP-SFHVURJKSA-N -1 3 387.501 3.022 20 0 GGADHM COc1cc(F)cc(C[N-]S(=O)(=O)c2c(F)cccc2Br)c1 ZINC000093938515 1410287399 /nfs/dbraw/zinc/28/73/99/1410287399.db2.gz COSFLBIYAIUVIY-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000093948091 1410289396 /nfs/dbraw/zinc/28/93/96/1410289396.db2.gz AUCFNKROBDMHDQ-LJQANCHMSA-N -1 3 390.487 3.326 20 0 GGADHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000094020399 1410294769 /nfs/dbraw/zinc/29/47/69/1410294769.db2.gz BUHWKKBDGATELU-LBPRGKRZSA-N -1 3 380.441 3.126 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000094072732 1410301389 /nfs/dbraw/zinc/30/13/89/1410301389.db2.gz NKDNMEMKWXMXIE-SFHVURJKSA-N -1 3 378.428 3.037 20 0 GGADHM O=C(Nc1ccnn1C[C@H]1CCOC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094090813 1410302666 /nfs/dbraw/zinc/30/26/66/1410302666.db2.gz MTSGKHIGHDXGTA-GOSISDBHSA-N -1 3 377.444 3.468 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)c(C)o1 ZINC000094101636 1410304299 /nfs/dbraw/zinc/30/42/99/1410304299.db2.gz BHWQWHFISXBPSQ-CQSZACIVSA-N -1 3 390.505 3.081 20 0 GGADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094138863 1410307986 /nfs/dbraw/zinc/30/79/86/1410307986.db2.gz CYVMOKFIRDWNPR-HOTGVXAUSA-N -1 3 389.517 3.071 20 0 GGADHM C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000094138898 1410308252 /nfs/dbraw/zinc/30/82/52/1410308252.db2.gz KZIKZQXIAGQVRA-HNNXBMFYSA-N -1 3 387.501 3.021 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCC2CC2)c(Cl)cc1Cl ZINC000097100959 1410352657 /nfs/dbraw/zinc/35/26/57/1410352657.db2.gz HQLVUNZWMPFQDS-UHFFFAOYSA-N -1 3 379.309 3.068 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000097529155 1410373173 /nfs/dbraw/zinc/37/31/73/1410373173.db2.gz WJYUEBLRWBFOKU-INIZCTEOSA-N -1 3 378.498 3.328 20 0 GGADHM COc1ccc(CCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000098093433 1410410786 /nfs/dbraw/zinc/41/07/86/1410410786.db2.gz SJSKXTHIHHOUPL-UHFFFAOYSA-N -1 3 396.487 3.098 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000098100663 1410416491 /nfs/dbraw/zinc/41/64/91/1410416491.db2.gz LZFVTOMIWCANCM-UHFFFAOYSA-N -1 3 388.383 3.329 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c(=O)[n-]1 ZINC000098103800 1410418400 /nfs/dbraw/zinc/41/84/00/1410418400.db2.gz DGCIHWACWQOOEB-UHFFFAOYSA-N -1 3 378.432 3.454 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1nc(-c2ccccc2)oc1C1CC1 ZINC000098116471 1410425130 /nfs/dbraw/zinc/42/51/30/1410425130.db2.gz DNELZHVYGWOGMJ-UHFFFAOYSA-N -1 3 391.427 3.084 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCCN(C(=O)OCC(C)C)CC3)cc(=O)oc12 ZINC000101555346 1410461785 /nfs/dbraw/zinc/46/17/85/1410461785.db2.gz GJZBMFYLWUQQGZ-UHFFFAOYSA-N -1 3 388.464 3.107 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000101579089 1410471628 /nfs/dbraw/zinc/47/16/28/1410471628.db2.gz BKCHZRIPSCYISC-NSHDSACASA-N -1 3 394.946 3.327 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000101578840 1410471737 /nfs/dbraw/zinc/47/17/37/1410471737.db2.gz CJDVQSWHOGPSKW-UHFFFAOYSA-N -1 3 394.946 3.327 20 0 GGADHM Cn1cnnc1C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000101638631 1410483670 /nfs/dbraw/zinc/48/36/70/1410483670.db2.gz HTLQANVZANALDH-UHFFFAOYSA-N -1 3 390.487 3.326 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000101652548 1410485400 /nfs/dbraw/zinc/48/54/00/1410485400.db2.gz VXXMLICCRXVCHM-ZDUSSCGKSA-N -1 3 398.850 3.413 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000101652518 1410485640 /nfs/dbraw/zinc/48/56/40/1410485640.db2.gz VJEYANDXYUCVGB-UHFFFAOYSA-N -1 3 383.717 3.292 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c([O-])c1 ZINC000101673753 1410489369 /nfs/dbraw/zinc/48/93/69/1410489369.db2.gz FQOMNCFVEYZBFN-QGZVFWFLSA-N -1 3 392.249 3.377 20 0 GGADHM CSc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000101834308 1410507941 /nfs/dbraw/zinc/50/79/41/1410507941.db2.gz GWKMAVHPKNQOTP-UHFFFAOYSA-N -1 3 394.493 3.265 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c(F)cc1F ZINC000102224860 1410582895 /nfs/dbraw/zinc/58/28/95/1410582895.db2.gz GUCCWRWAIIDJSY-UHFFFAOYSA-N -1 3 398.369 3.462 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)ccc1OC(C)C ZINC000102320799 1410598018 /nfs/dbraw/zinc/59/80/18/1410598018.db2.gz QTGUALQSBCAUTA-UHFFFAOYSA-N -1 3 376.434 3.028 20 0 GGADHM Cc1nc(C)c(CC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c(=O)[n-]1 ZINC000102385495 1410617662 /nfs/dbraw/zinc/61/76/62/1410617662.db2.gz WYFLIZOLMXXYMF-UHFFFAOYSA-N -1 3 397.397 3.052 20 0 GGADHM CCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1cc(Cl)c([O-])c(OC)c1 ZINC000102579870 1410654728 /nfs/dbraw/zinc/65/47/28/1410654728.db2.gz HOHRNFRYIHNAHT-UHFFFAOYSA-N -1 3 395.868 3.128 20 0 GGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 ZINC000102748057 1410722430 /nfs/dbraw/zinc/72/24/30/1410722430.db2.gz NKHRSFRGYARQQY-UHFFFAOYSA-N -1 3 384.860 3.425 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1F ZINC000102878043 1410803240 /nfs/dbraw/zinc/80/32/40/1410803240.db2.gz KXXZTAWYFHEACR-MRXNPFEDSA-N -1 3 382.501 3.307 20 0 GGADHM CCCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1Cc1ccccc1 ZINC000102889465 1410804199 /nfs/dbraw/zinc/80/41/99/1410804199.db2.gz OVAMFGGFSRRYCA-UHFFFAOYSA-N -1 3 378.358 3.273 20 0 GGADHM CCCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1Cc1ccccc1 ZINC000102889465 1410804200 /nfs/dbraw/zinc/80/42/00/1410804200.db2.gz OVAMFGGFSRRYCA-UHFFFAOYSA-N -1 3 378.358 3.273 20 0 GGADHM O=C1[N-]C(=O)/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)c2ccccc21 ZINC000102970978 1410814977 /nfs/dbraw/zinc/81/49/77/1410814977.db2.gz TZVPDBXDSYHZSQ-NVNXTCNLSA-N -1 3 376.393 3.349 20 0 GGADHM Cc1cc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1F ZINC000103099799 1410827802 /nfs/dbraw/zinc/82/78/02/1410827802.db2.gz JUERNMGMDGQJSZ-UHFFFAOYSA-N -1 3 380.441 3.302 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)oc1C ZINC000103154163 1410832667 /nfs/dbraw/zinc/83/26/67/1410832667.db2.gz JXDOLAYQAHVSPF-UHFFFAOYSA-N -1 3 395.330 3.011 20 0 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/nfs/dbraw/zinc/85/91/70/1411859170.db2.gz HKUWRUCPSNFRQJ-UHFFFAOYSA-N -1 3 399.241 3.274 20 0 GGADHM CCCCc1nc2ccc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)cc2[nH]1 ZINC000111099519 1411886909 /nfs/dbraw/zinc/88/69/09/1411886909.db2.gz AXQSVLPCVFDXOX-UHFFFAOYSA-N -1 3 392.463 3.040 20 0 GGADHM O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1c[n-]c2ccccc2c1=O ZINC000111121755 1411888624 /nfs/dbraw/zinc/88/86/24/1411888624.db2.gz IFYMNYPHMODWJR-UHFFFAOYSA-N -1 3 395.422 3.414 20 0 GGADHM O=C(CCOc1ccccc1)[N-]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000111180151 1411894064 /nfs/dbraw/zinc/89/40/64/1411894064.db2.gz ABGYWBHFJKLJCA-UHFFFAOYSA-N -1 3 382.338 3.161 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1cccc(Cl)c1F)N1Cc2ccccc2C1 ZINC000111362724 1411923846 /nfs/dbraw/zinc/92/38/46/1411923846.db2.gz PTGOMIFXSLTQPA-UHFFFAOYSA-N -1 3 396.871 3.080 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1nnc2ccccc2c1[O-] ZINC000111560922 1411991467 /nfs/dbraw/zinc/99/14/67/1411991467.db2.gz YWBUGGXBXSRTGZ-UHFFFAOYSA-N -1 3 390.212 3.097 20 0 GGADHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1nnc2ccccc2c1[O-] ZINC000111569546 1411992982 /nfs/dbraw/zinc/99/29/82/1411992982.db2.gz XMLZEIOWLBZXQJ-UHFFFAOYSA-N -1 3 380.404 3.362 20 0 GGADHM CC(C)OCCOCc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000111584804 1411996285 /nfs/dbraw/zinc/99/62/85/1411996285.db2.gz JINYFRUBWPUXSR-UHFFFAOYSA-N -1 3 381.432 3.117 20 0 GGADHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000111589169 1411997341 /nfs/dbraw/zinc/99/73/41/1411997341.db2.gz YIARKZHWNGNTHX-UHFFFAOYSA-N -1 3 380.473 3.037 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](N2CCCC2=O)C1 ZINC000111648974 1412008362 /nfs/dbraw/zinc/00/83/62/1412008362.db2.gz WIMIWQSJRTUBFI-IBGZPJMESA-N -1 3 378.472 3.210 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000177177196 1428616018 /nfs/dbraw/zinc/61/60/18/1428616018.db2.gz GEONLXDUIKMGPN-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000111994941 1412064837 /nfs/dbraw/zinc/06/48/37/1412064837.db2.gz LLJHYXWCEBNSHD-MRXNPFEDSA-N -1 3 390.505 3.198 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000112090514 1412074982 /nfs/dbraw/zinc/07/49/82/1412074982.db2.gz FUHTUOVABQJNLN-SNVBAGLBSA-N -1 3 390.358 3.150 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000112090512 1412075543 /nfs/dbraw/zinc/07/55/43/1412075543.db2.gz FUHTUOVABQJNLN-JTQLQIEISA-N -1 3 390.358 3.150 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000177178438 1428616579 /nfs/dbraw/zinc/61/65/79/1428616579.db2.gz DRDOBWVYWFPHBZ-UHFFFAOYSA-N -1 3 394.393 3.291 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c(=O)[n-]1 ZINC000112251785 1412103020 /nfs/dbraw/zinc/10/30/20/1412103020.db2.gz MWMZEUKQBDCZPG-SFHVURJKSA-N -1 3 389.471 3.068 20 0 GGADHM O=C1NCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000112266749 1412109787 /nfs/dbraw/zinc/10/97/87/1412109787.db2.gz VPUVNLFERCVCDB-UHFFFAOYSA-N -1 3 386.260 3.324 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2cc(Br)ccc2F)cc1OC ZINC000112336417 1412132560 /nfs/dbraw/zinc/13/25/60/1412132560.db2.gz ONUXEZGRQORWRP-UHFFFAOYSA-N -1 3 398.228 3.396 20 0 GGADHM O=C(Nc1ccc2[nH]ccc2c1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000112861683 1412226723 /nfs/dbraw/zinc/22/67/23/1412226723.db2.gz PFVSQANSLQSFMH-UHFFFAOYSA-N -1 3 391.399 3.139 20 0 GGADHM Cc1nn(C)cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000113139983 1412267962 /nfs/dbraw/zinc/26/79/62/1412267962.db2.gz MYBWVLXIBFHJLD-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000113175054 1412270544 /nfs/dbraw/zinc/27/05/44/1412270544.db2.gz UAOBCYFWGDHLSE-YJBOKZPZSA-N -1 3 382.460 3.026 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000113175059 1412270594 /nfs/dbraw/zinc/27/05/94/1412270594.db2.gz UAOBCYFWGDHLSE-MAUKXSAKSA-N -1 3 382.460 3.026 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000113175051 1412270658 /nfs/dbraw/zinc/27/06/58/1412270658.db2.gz UAOBCYFWGDHLSE-QAPCUYQASA-N -1 3 382.460 3.026 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1nnc2ccccc2c1[O-] ZINC000113444285 1412306390 /nfs/dbraw/zinc/30/63/90/1412306390.db2.gz GRXNXUOQJIKVHQ-UHFFFAOYSA-N -1 3 393.790 3.411 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccccc2Cl)no1 ZINC000113733475 1412338745 /nfs/dbraw/zinc/33/87/45/1412338745.db2.gz BZGJEQZGTFHCAK-UHFFFAOYSA-N -1 3 379.807 3.435 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccncc3)no2)ccc1F ZINC000113739606 1412339085 /nfs/dbraw/zinc/33/90/85/1412339085.db2.gz AECQDRMMRBZUIV-UHFFFAOYSA-N -1 3 376.413 3.015 20 0 GGADHM O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000113832687 1412344439 /nfs/dbraw/zinc/34/44/39/1412344439.db2.gz PGDZGKCCFBVWLS-UHFFFAOYSA-N -1 3 392.814 3.381 20 0 GGADHM CC(C)(CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccs1 ZINC000114305878 1412408212 /nfs/dbraw/zinc/40/82/12/1412408212.db2.gz TUNZMQOTDXKPHV-UHFFFAOYSA-N -1 3 396.509 3.036 20 0 GGADHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1OC ZINC000114496881 1412445547 /nfs/dbraw/zinc/44/55/47/1412445547.db2.gz KADZBPJPPAKBID-QMMMGPOBSA-N -1 3 393.358 3.300 20 0 GGADHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1OC ZINC000114496757 1412445656 /nfs/dbraw/zinc/44/56/56/1412445656.db2.gz NNTPCMZYXSJNLU-QMMMGPOBSA-N -1 3 393.358 3.300 20 0 GGADHM O=S(=O)([N-]CCOc1cccnc1)c1ccc(Cl)cc1C(F)(F)F ZINC000114497926 1412446675 /nfs/dbraw/zinc/44/66/75/1412446675.db2.gz NIZLBYPQBUMWQL-UHFFFAOYSA-N -1 3 380.775 3.111 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)N(C)C ZINC000115311765 1412643828 /nfs/dbraw/zinc/64/38/28/1412643828.db2.gz MGLSECIIYRXDOY-UHFFFAOYSA-N -1 3 376.478 3.321 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)c(Cl)c2)c1 ZINC000115312638 1412645446 /nfs/dbraw/zinc/64/54/46/1412645446.db2.gz GLUNKQGJRPDQBB-UHFFFAOYSA-N -1 3 396.896 3.225 20 0 GGADHM O=C(CCCCCNC(=O)NC1CCCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000115361199 1412659281 /nfs/dbraw/zinc/65/92/81/1412659281.db2.gz ZOUQFHZSTGEWPO-UHFFFAOYSA-N -1 3 388.472 3.196 20 0 GGADHM COc1ccc(CN(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)C2CC2)cc1 ZINC000115646674 1412744853 /nfs/dbraw/zinc/74/48/53/1412744853.db2.gz ULEIIKCEBUOZHG-UHFFFAOYSA-N -1 3 395.415 3.026 20 0 GGADHM COc1ccc(CN(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)C2CC2)cc1 ZINC000115646674 1412744866 /nfs/dbraw/zinc/74/48/66/1412744866.db2.gz ULEIIKCEBUOZHG-UHFFFAOYSA-N -1 3 395.415 3.026 20 0 GGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1nnc2ccccc2c1[O-] ZINC000115717686 1412773113 /nfs/dbraw/zinc/77/31/13/1412773113.db2.gz BOFFQJMTRAFGAR-UHFFFAOYSA-N -1 3 379.807 3.074 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)c(Cl)c3)cc21 ZINC000115927605 1412816567 /nfs/dbraw/zinc/81/65/67/1412816567.db2.gz FYTBKJGETJTBOC-UHFFFAOYSA-N -1 3 393.896 3.116 20 0 GGADHM Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000115955886 1412817783 /nfs/dbraw/zinc/81/77/83/1412817783.db2.gz HQWWUKHCXXZOEO-OAHLLOKOSA-N -1 3 376.460 3.259 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c(=O)[n-]1 ZINC000177302301 1428678698 /nfs/dbraw/zinc/67/86/98/1428678698.db2.gz NKVFRZMJIJNULF-JTQLQIEISA-N -1 3 383.370 3.095 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000116136628 1412835885 /nfs/dbraw/zinc/83/58/85/1412835885.db2.gz GJKWGPZDEFESGL-KRWDZBQOSA-N -1 3 391.924 3.289 20 0 GGADHM COc1ccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000116652097 1412891533 /nfs/dbraw/zinc/89/15/33/1412891533.db2.gz KAXPVYQAMPYQCK-LJQANCHMSA-N -1 3 382.460 3.193 20 0 GGADHM COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c([O-])c1 ZINC000116660874 1412894001 /nfs/dbraw/zinc/89/40/01/1412894001.db2.gz IWXUPOWXXRGTQJ-LBPRGKRZSA-N -1 3 378.375 3.011 20 0 GGADHM CC(=O)N(Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1)C(C)C ZINC000116709632 1412900337 /nfs/dbraw/zinc/90/03/37/1412900337.db2.gz ADPSTFBEIXHHPQ-UDWIEESQSA-N -1 3 377.444 3.167 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCOc2ccc(Cl)cc2)cc1 ZINC000116863053 1412943340 /nfs/dbraw/zinc/94/33/40/1412943340.db2.gz YJEOTCUCQRXKPU-UHFFFAOYSA-N -1 3 383.853 3.337 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000116982309 1412971355 /nfs/dbraw/zinc/97/13/55/1412971355.db2.gz QYCRKCJEFIQCGG-UHFFFAOYSA-N -1 3 382.847 3.319 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC ZINC000117021201 1412982712 /nfs/dbraw/zinc/98/27/12/1412982712.db2.gz FFPFNQIBFNMLCD-AWEZNQCLSA-N -1 3 380.422 3.042 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)cnc1Cl ZINC000117228087 1413015012 /nfs/dbraw/zinc/01/50/12/1413015012.db2.gz IJIFYUULMLTJJZ-UHFFFAOYSA-N -1 3 388.276 3.199 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)c(C)c1C ZINC000117228477 1413015278 /nfs/dbraw/zinc/01/52/78/1413015278.db2.gz HCLOUUFOEJVIDX-UHFFFAOYSA-N -1 3 388.489 3.235 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)c(C)c1C ZINC000117229287 1413015741 /nfs/dbraw/zinc/01/57/41/1413015741.db2.gz CJJABTSIIGPBBE-UHFFFAOYSA-N -1 3 388.489 3.412 20 0 GGADHM Cc1cc(C)c(C(=O)CCCC(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)c1 ZINC000117470764 1413040799 /nfs/dbraw/zinc/04/07/99/1413040799.db2.gz MNEHDBBEIVGSLN-UHFFFAOYSA-N -1 3 396.487 3.217 20 0 GGADHM COc1ccc(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)c([O-])c1 ZINC000117533856 1413049641 /nfs/dbraw/zinc/04/96/41/1413049641.db2.gz YHGOCNQGIVTTDP-UHFFFAOYSA-N -1 3 394.427 3.184 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118317115 1413149028 /nfs/dbraw/zinc/14/90/28/1413149028.db2.gz GQXHVVFWSBPEQN-CQSZACIVSA-N -1 3 390.443 3.190 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc3ccccc32)ccc1F ZINC000177394366 1428717412 /nfs/dbraw/zinc/71/74/12/1428717412.db2.gz BSFZEEQQYMECNX-ZDUSSCGKSA-N -1 3 386.448 3.378 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3)c2)oc1C ZINC000119126592 1413348128 /nfs/dbraw/zinc/34/81/28/1413348128.db2.gz HZQLUCNYGUEHRZ-CYBMUJFWSA-N -1 3 392.477 3.014 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N1Cc3ccccc3[C@H](c3ccccc3)C1)c2[O-] ZINC000119128489 1413348697 /nfs/dbraw/zinc/34/86/97/1413348697.db2.gz FMYSABHGWMNTQM-FQEVSTJZSA-N -1 3 384.439 3.462 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3nc(C4CC4)no3)c2)n1 ZINC000119132886 1413350206 /nfs/dbraw/zinc/35/02/06/1413350206.db2.gz ZIIFSLZICTYCPW-UHFFFAOYSA-N -1 3 393.447 3.221 20 0 GGADHM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1nnc2ccccc2c1[O-] ZINC000119145930 1413354540 /nfs/dbraw/zinc/35/45/40/1413354540.db2.gz KEWYVCOMVXCARH-SFHVURJKSA-N -1 3 390.830 3.491 20 0 GGADHM C[C@@H](NCC(=O)N1CCCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824555473 1428720736 /nfs/dbraw/zinc/72/07/36/1428720736.db2.gz WMQAUPPXGIGQKA-MRXNPFEDSA-N -1 3 390.491 3.197 20 0 GGADHM C[C@@H](NCC(=O)N1CCCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824555473 1428720738 /nfs/dbraw/zinc/72/07/38/1428720738.db2.gz WMQAUPPXGIGQKA-MRXNPFEDSA-N -1 3 390.491 3.197 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1ncc(Cc3ccc(F)cc3)s1)c2[O-] ZINC000119162710 1413361012 /nfs/dbraw/zinc/36/10/12/1413361012.db2.gz HBKQBCWLRVBFGT-UHFFFAOYSA-N -1 3 383.408 3.113 20 0 GGADHM Cc1cc(NC(=O)c2cnc3c(cnn3C)c2[O-])ccc1NC(=O)c1ccco1 ZINC000119173962 1413365002 /nfs/dbraw/zinc/36/50/02/1413365002.db2.gz CUBZQUGOVIQGIA-UHFFFAOYSA-N -1 3 391.387 3.080 20 0 GGADHM COC(=O)c1sc2[n-]c(CN([C@H](C)c3ccco3)C3CC3)nc(=O)c2c1C ZINC000119232230 1413383651 /nfs/dbraw/zinc/38/36/51/1413383651.db2.gz LVVNCUJHBYXFSM-LLVKDONJSA-N -1 3 387.461 3.398 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)ccc1F ZINC000177407792 1428722679 /nfs/dbraw/zinc/72/26/79/1428722679.db2.gz LFDRGPQXDIXSSR-LBPRGKRZSA-N -1 3 390.436 3.313 20 0 GGADHM Cc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])cc1NC(=O)C(C)(C)C ZINC000119242426 1413387009 /nfs/dbraw/zinc/38/70/09/1413387009.db2.gz VKNQMNFLHITDHP-UHFFFAOYSA-N -1 3 381.436 3.219 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl)c1c(C)noc1C ZINC000119273158 1413396212 /nfs/dbraw/zinc/39/62/12/1413396212.db2.gz MYYHNYRQTKOZFQ-CYBMUJFWSA-N -1 3 386.857 3.161 20 0 GGADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1OCc1cscn1 ZINC000119281177 1413398121 /nfs/dbraw/zinc/39/81/21/1413398121.db2.gz LSDIFNVXVSNGGW-UHFFFAOYSA-N -1 3 397.416 3.361 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(c2ccccc2F)CC1 ZINC000119331013 1413414400 /nfs/dbraw/zinc/41/44/00/1413414400.db2.gz HIZLIHVDWTVGRB-UHFFFAOYSA-N -1 3 392.434 3.018 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000119381123 1413430314 /nfs/dbraw/zinc/43/03/14/1413430314.db2.gz BYHAYVQICHGHAE-UHFFFAOYSA-N -1 3 380.366 3.249 20 0 GGADHM Cc1c(NC(=O)c2cnc3c(cnn3C)c2[O-])cnn1-c1cc(C)ccc1C ZINC000119405121 1413436428 /nfs/dbraw/zinc/43/64/28/1413436428.db2.gz MCVZABNLWQEVSV-UHFFFAOYSA-N -1 3 376.420 3.037 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F ZINC000119438801 1413447422 /nfs/dbraw/zinc/44/74/22/1413447422.db2.gz SDDMAVFPUFEMOU-UHFFFAOYSA-N -1 3 386.395 3.433 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)c2[O-] ZINC000119468186 1413457547 /nfs/dbraw/zinc/45/75/47/1413457547.db2.gz FDLYARLIPDGPGP-CYBMUJFWSA-N -1 3 382.317 3.237 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c2[O-] ZINC000119468052 1413457662 /nfs/dbraw/zinc/45/76/62/1413457662.db2.gz FDLYARLIPDGPGP-ZDUSSCGKSA-N -1 3 382.317 3.237 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1F ZINC000119481110 1413461934 /nfs/dbraw/zinc/46/19/34/1413461934.db2.gz BEDAAGRKODJOOE-UHFFFAOYSA-N -1 3 386.395 3.433 20 0 GGADHM CC1CCN(c2ccc(C[N-]S(=O)(=O)c3c(F)cccc3F)cn2)CC1 ZINC000119502371 1413467622 /nfs/dbraw/zinc/46/76/22/1413467622.db2.gz UVMPLZPCAPCLRA-UHFFFAOYSA-N -1 3 381.448 3.075 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2csc3ccccc23)ccc1F ZINC000177422542 1428730459 /nfs/dbraw/zinc/73/04/59/1428730459.db2.gz JCOBDSHKJVFHDI-UHFFFAOYSA-N -1 3 392.477 3.221 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3occc32)ccc1F ZINC000119598477 1413498889 /nfs/dbraw/zinc/49/88/89/1413498889.db2.gz VHGJAEKTZKHLSA-HNNXBMFYSA-N -1 3 394.468 3.303 20 0 GGADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000119623824 1413506941 /nfs/dbraw/zinc/50/69/41/1413506941.db2.gz BOZUCBGMKKSBRR-UHFFFAOYSA-N -1 3 388.489 3.494 20 0 GGADHM O=c1[n-]nc(SCCCOc2cccc3ccccc32)n1C[C@H]1CCCO1 ZINC000119635692 1413511071 /nfs/dbraw/zinc/51/10/71/1413511071.db2.gz SMUHGLPTAHFAIM-MRXNPFEDSA-N -1 3 385.489 3.465 20 0 GGADHM O=c1[n-]nc(SCCCOc2cccc3ccccc32)n1C[C@@H]1CCCO1 ZINC000119635550 1413511195 /nfs/dbraw/zinc/51/11/95/1413511195.db2.gz SMUHGLPTAHFAIM-INIZCTEOSA-N -1 3 385.489 3.465 20 0 GGADHM CCC[C@](C)(O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000119666733 1413522984 /nfs/dbraw/zinc/52/29/84/1413522984.db2.gz BAFBDVNJVMRXQC-IBGZPJMESA-N -1 3 376.478 3.285 20 0 GGADHM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000177437817 1428736626 /nfs/dbraw/zinc/73/66/26/1428736626.db2.gz ZIVWZIVFRRVGBZ-GFCCVEGCSA-N -1 3 380.441 3.163 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000119771258 1413563862 /nfs/dbraw/zinc/56/38/62/1413563862.db2.gz QTHKJWIUTXZNLS-FXAWDEMLSA-N -1 3 396.487 3.105 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)ccc2N1 ZINC000119805368 1413575242 /nfs/dbraw/zinc/57/52/42/1413575242.db2.gz JIMPSRJDDHWOME-UHFFFAOYSA-N -1 3 385.489 3.362 20 0 GGADHM CSc1nc(C(C)C)nc(C)c1C(=O)[N-]NC(=O)c1ccc(Cl)cc1 ZINC000119807542 1413576354 /nfs/dbraw/zinc/57/63/54/1413576354.db2.gz OTEHHQOWFFUTOW-UHFFFAOYSA-N -1 3 378.885 3.359 20 0 GGADHM O=C(Cc1c(Cl)cccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000119835041 1413586872 /nfs/dbraw/zinc/58/68/72/1413586872.db2.gz FXCVDBSOQRMYNO-UHFFFAOYSA-N -1 3 393.270 3.226 20 0 GGADHM CCc1cc2c(CN(C)Cc3cc(C(=O)OC)c(C)o3)cc(=O)oc2cc1[O-] ZINC000119922243 1413618164 /nfs/dbraw/zinc/61/81/64/1413618164.db2.gz VSDFVFAXLUTDRX-UHFFFAOYSA-N -1 3 385.416 3.381 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(OC(C)C)c2)c(F)cc1F ZINC000120031287 1413661284 /nfs/dbraw/zinc/66/12/84/1413661284.db2.gz RKRRIKMNJAUDSR-KRWDZBQOSA-N -1 3 385.432 3.072 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(OC(C)C)cc2)c(F)cc1F ZINC000120117084 1413694625 /nfs/dbraw/zinc/69/46/25/1413694625.db2.gz OSEPQBVKEMIFHV-KRWDZBQOSA-N -1 3 385.432 3.072 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000120134331 1413701486 /nfs/dbraw/zinc/70/14/86/1413701486.db2.gz QJMXKVNFJXPIBY-INIZCTEOSA-N -1 3 387.860 3.278 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C2CCC2)ccc1F ZINC000177465177 1428748815 /nfs/dbraw/zinc/74/88/15/1428748815.db2.gz MWQKAROMITYWNI-GOSISDBHSA-N -1 3 376.453 3.005 20 0 GGADHM Cc1nc(C)c(CCC(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)c(=O)[n-]1 ZINC000120223179 1413738991 /nfs/dbraw/zinc/73/89/91/1413738991.db2.gz OJHCZGUCKYMTEJ-NSHDSACASA-N -1 3 390.390 3.369 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc3ccccc3s2)ccc1F ZINC000177468092 1428752007 /nfs/dbraw/zinc/75/20/07/1428752007.db2.gz XKLXZCOBFZXMOK-LLVKDONJSA-N -1 3 392.477 3.440 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000120283374 1413767150 /nfs/dbraw/zinc/76/71/50/1413767150.db2.gz UJDGYTVNPBSEQF-GFCCVEGCSA-N -1 3 380.416 3.131 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc(N(C)C)nc3C)c2)n1 ZINC000120336732 1413792640 /nfs/dbraw/zinc/79/26/40/1413792640.db2.gz AQZXXFNLEOKSHG-UHFFFAOYSA-N -1 3 383.477 3.083 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1OC ZINC000120348136 1413798003 /nfs/dbraw/zinc/79/80/03/1413798003.db2.gz GUGYXGCFQGDVSJ-UHFFFAOYSA-N -1 3 388.367 3.126 20 0 GGADHM C/C(=C/C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000120412799 1413812256 /nfs/dbraw/zinc/81/22/56/1413812256.db2.gz BEVUEOKHHGTFGD-SEYXRHQNSA-N -1 3 392.377 3.361 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000120508997 1413833290 /nfs/dbraw/zinc/83/32/90/1413833290.db2.gz JHYFYHKUMDESTP-BUXKBTBVSA-N -1 3 381.480 3.099 20 0 GGADHM CSCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000120521476 1413835261 /nfs/dbraw/zinc/83/52/61/1413835261.db2.gz SYVRWMDCGIXSDT-CYBMUJFWSA-N -1 3 396.509 3.498 20 0 GGADHM CSCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000120521314 1413835285 /nfs/dbraw/zinc/83/52/85/1413835285.db2.gz SYVRWMDCGIXSDT-ZDUSSCGKSA-N -1 3 396.509 3.498 20 0 GGADHM CCc1ccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)N(C)C)cc1 ZINC000120532704 1413837529 /nfs/dbraw/zinc/83/75/29/1413837529.db2.gz OEALIMTXZXNTJZ-ZDUSSCGKSA-N -1 3 382.580 3.274 20 0 GGADHM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000120549258 1413841070 /nfs/dbraw/zinc/84/10/70/1413841070.db2.gz QUXYKGHVZRFWQV-UHFFFAOYSA-N -1 3 392.337 3.420 20 0 GGADHM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000120549258 1413841075 /nfs/dbraw/zinc/84/10/75/1413841075.db2.gz QUXYKGHVZRFWQV-UHFFFAOYSA-N -1 3 392.337 3.420 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1F ZINC000120750480 1413892144 /nfs/dbraw/zinc/89/21/44/1413892144.db2.gz FXIOPKXVLJPNOM-UHFFFAOYSA-N -1 3 395.843 3.290 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1N1CCCC1 ZINC000120754262 1413893161 /nfs/dbraw/zinc/89/31/61/1413893161.db2.gz ZMHGCHQFZWNXMG-UHFFFAOYSA-N -1 3 385.489 3.281 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)ccc1F ZINC000177490647 1428765807 /nfs/dbraw/zinc/76/58/07/1428765807.db2.gz QIFDYGZTGVMZGA-SECBINFHSA-N -1 3 388.823 3.017 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000120930198 1413951545 /nfs/dbraw/zinc/95/15/45/1413951545.db2.gz YRPVSVIRBSYEOT-UHFFFAOYSA-N -1 3 396.878 3.388 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000120946276 1413956131 /nfs/dbraw/zinc/95/61/31/1413956131.db2.gz GGPMWZVNZLWQQF-CQSZACIVSA-N -1 3 376.453 3.499 20 0 GGADHM CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccc21 ZINC000120968574 1413963210 /nfs/dbraw/zinc/96/32/10/1413963210.db2.gz KVDSVCNJHNJUKM-UHFFFAOYSA-N -1 3 383.423 3.397 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000120972705 1413964476 /nfs/dbraw/zinc/96/44/76/1413964476.db2.gz GTWLBINMWRURSU-UHFFFAOYSA-N -1 3 388.342 3.398 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000120975059 1413964979 /nfs/dbraw/zinc/96/49/79/1413964979.db2.gz ABNHQMJVSHPNOU-UHFFFAOYSA-N -1 3 378.403 3.377 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2)cs1 ZINC000120979035 1413966429 /nfs/dbraw/zinc/96/64/29/1413966429.db2.gz BWCNGTBLOOINRK-UHFFFAOYSA-N -1 3 385.420 3.218 20 0 GGADHM CN(c1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000121038691 1413985671 /nfs/dbraw/zinc/98/56/71/1413985671.db2.gz WSGSBHDLEYCBHY-UHFFFAOYSA-N -1 3 396.491 3.323 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1c(F)cccc1F)c1ccc(F)cc1C(F)(F)F ZINC000121048127 1413988747 /nfs/dbraw/zinc/98/87/47/1413988747.db2.gz UYBKQXUZXIORTF-GFCCVEGCSA-N -1 3 399.312 3.135 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)ccc1F ZINC000177500255 1428771486 /nfs/dbraw/zinc/77/14/86/1428771486.db2.gz RHAKWIZUJDCYRB-SJKOYZFVSA-N -1 3 394.443 3.096 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCSC(C)(C)C3)nc(=O)c2c1C ZINC000177515654 1428778476 /nfs/dbraw/zinc/77/84/76/1428778476.db2.gz DPUDTVQGOLYYKK-LLVKDONJSA-N -1 3 395.550 3.358 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)cc1C ZINC000121202194 1414042775 /nfs/dbraw/zinc/04/27/75/1414042775.db2.gz VJYCLNQEEQLWQN-UHFFFAOYSA-N -1 3 398.488 3.318 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000121218810 1414047227 /nfs/dbraw/zinc/04/72/27/1414047227.db2.gz XUSGKVNCGLHIGL-LJQANCHMSA-N -1 3 390.411 3.436 20 0 GGADHM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000121223011 1414049245 /nfs/dbraw/zinc/04/92/45/1414049245.db2.gz IERYSGFDLMQYNX-UHFFFAOYSA-N -1 3 388.489 3.097 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C)ncn3)cc2)cc1 ZINC000121332735 1414085600 /nfs/dbraw/zinc/08/56/00/1414085600.db2.gz NRZJXWJLAIVCIP-UHFFFAOYSA-N -1 3 382.445 3.147 20 0 GGADHM CC(C)[C@H](CCN(C)Cc1cc(-c2nnn[n-]2)cs1)NC(=O)OC(C)(C)C ZINC000824192938 1428780266 /nfs/dbraw/zinc/78/02/66/1428780266.db2.gz PCEWWLKGQZAIAU-HNNXBMFYSA-N -1 3 394.545 3.299 20 0 GGADHM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1C ZINC000121344783 1414089502 /nfs/dbraw/zinc/08/95/02/1414089502.db2.gz VBXTXGOSDSDCAR-UHFFFAOYSA-N -1 3 388.489 3.477 20 0 GGADHM O=S(=O)([N-]c1cccnc1Br)c1ccccc1Br ZINC000121376733 1414099939 /nfs/dbraw/zinc/09/99/39/1414099939.db2.gz DKIRIKXOEAMKGR-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1 ZINC000121374738 1414099175 /nfs/dbraw/zinc/09/91/75/1414099175.db2.gz SMRYVNNNSBKVPA-UHFFFAOYSA-N -1 3 399.266 3.212 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)cc1 ZINC000121431469 1414120510 /nfs/dbraw/zinc/12/05/10/1414120510.db2.gz WEZPYALSOPQUEU-AWEZNQCLSA-N -1 3 376.478 3.255 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](c4ccccc4)[C@@H]3C)nc(=O)c2c1C ZINC000177535732 1428784748 /nfs/dbraw/zinc/78/47/48/1428784748.db2.gz JQFTUSPCKSXCDP-DZGCQCFKSA-N -1 3 397.500 3.458 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1F)N1CCCC1 ZINC000121576359 1414184143 /nfs/dbraw/zinc/18/41/43/1414184143.db2.gz WLUYWTACNCGTRD-UHFFFAOYSA-N -1 3 384.379 3.141 20 0 GGADHM CC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1OC(F)F ZINC000121641442 1414209731 /nfs/dbraw/zinc/20/97/31/1414209731.db2.gz PDJZRCYUEHPEBQ-OAHLLOKOSA-N -1 3 379.407 3.188 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000121679589 1414221194 /nfs/dbraw/zinc/22/11/94/1414221194.db2.gz HPWAAFNVFNPGLY-QGZVFWFLSA-N -1 3 390.480 3.142 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1C ZINC000121684306 1414222449 /nfs/dbraw/zinc/22/24/49/1414222449.db2.gz VUAPZCKNSXFZIM-UHFFFAOYSA-N -1 3 388.489 3.235 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)c(=O)[n-]1 ZINC000121692632 1414225580 /nfs/dbraw/zinc/22/55/80/1414225580.db2.gz IXYHLOIDVFUMBZ-UHFFFAOYSA-N -1 3 390.415 3.360 20 0 GGADHM O=C(c1ccccc1[O-])N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000121698233 1414227601 /nfs/dbraw/zinc/22/76/01/1414227601.db2.gz UOUZIAMBJXOHES-UHFFFAOYSA-N -1 3 384.867 3.041 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3cnccn3)c2)cc1 ZINC000121703397 1414229450 /nfs/dbraw/zinc/22/94/50/1414229450.db2.gz DJWUJBICCQCXML-OAHLLOKOSA-N -1 3 398.488 3.137 20 0 GGADHM CC(C)CCn1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000121705642 1414230263 /nfs/dbraw/zinc/23/02/63/1414230263.db2.gz BGRPPYBIPCDKCZ-UHFFFAOYSA-N -1 3 396.488 3.007 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)c(=O)[n-]1 ZINC000121719319 1414235310 /nfs/dbraw/zinc/23/53/10/1414235310.db2.gz HBKAAMLEBARMFD-UHFFFAOYSA-N -1 3 386.452 3.144 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000121758300 1414248209 /nfs/dbraw/zinc/24/82/09/1414248209.db2.gz XJLHCWXWXLJEDT-UHFFFAOYSA-N -1 3 378.367 3.131 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(-c4ccccn4)s3)c[n-]c12 ZINC000121908608 1414303109 /nfs/dbraw/zinc/30/31/09/1414303109.db2.gz VITPBPHBCFXAFT-UHFFFAOYSA-N -1 3 381.392 3.141 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)cc1F ZINC000121957655 1414323461 /nfs/dbraw/zinc/32/34/61/1414323461.db2.gz ZZFNTGLCGYUAFU-UHFFFAOYSA-N -1 3 381.448 3.137 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000122042679 1414347066 /nfs/dbraw/zinc/34/70/66/1414347066.db2.gz OGKMRXWMYIUZFA-UHFFFAOYSA-N -1 3 385.346 3.352 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000122042679 1414347074 /nfs/dbraw/zinc/34/70/74/1414347074.db2.gz OGKMRXWMYIUZFA-UHFFFAOYSA-N -1 3 385.346 3.352 20 0 GGADHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)C1 ZINC000122103408 1414363534 /nfs/dbraw/zinc/36/35/34/1414363534.db2.gz WZOZBQSNNODDBY-AWEZNQCLSA-N -1 3 396.459 3.087 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC3(CC)CCCC3)c2)n1 ZINC000122118786 1414366669 /nfs/dbraw/zinc/36/66/69/1414366669.db2.gz NCSGIYDPZPGBOL-UHFFFAOYSA-N -1 3 396.491 3.024 20 0 GGADHM CC1CCN(c2cccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)c2)CC1 ZINC000122273452 1414407468 /nfs/dbraw/zinc/40/74/68/1414407468.db2.gz CYLLHHQJBMRNFQ-UHFFFAOYSA-N -1 3 385.439 3.023 20 0 GGADHM CN(Cc1ccccc1F)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000177597169 1428806566 /nfs/dbraw/zinc/80/65/66/1428806566.db2.gz BDISYTBLKUFYCV-UHFFFAOYSA-N -1 3 380.419 3.228 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)cc1F ZINC000122363594 1414435088 /nfs/dbraw/zinc/43/50/88/1414435088.db2.gz CALJPZOKYMUVAE-UHFFFAOYSA-N -1 3 385.407 3.397 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000122410244 1414450460 /nfs/dbraw/zinc/45/04/60/1414450460.db2.gz KFJKZCZDCKSOEA-GFCCVEGCSA-N -1 3 393.415 3.287 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000820967907 1428811409 /nfs/dbraw/zinc/81/14/09/1428811409.db2.gz YEVQABFXEBHGLL-CJNGLKHVSA-N -1 3 399.543 3.459 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000820967907 1428811411 /nfs/dbraw/zinc/81/14/11/1428811411.db2.gz YEVQABFXEBHGLL-CJNGLKHVSA-N -1 3 399.543 3.459 20 0 GGADHM C[C@@H]1SCCN(CCOc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000736301645 1428811670 /nfs/dbraw/zinc/81/16/70/1428811670.db2.gz PNLYORUVOHAGLJ-HNAYVOBHSA-N -1 3 381.505 3.424 20 0 GGADHM O=C(NCCC1CCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000122512459 1414486970 /nfs/dbraw/zinc/48/69/70/1414486970.db2.gz MWCFELLQTRAMOS-UHFFFAOYSA-N -1 3 391.320 3.354 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000122515159 1414487481 /nfs/dbraw/zinc/48/74/81/1414487481.db2.gz WFWZEKOKIGGWDI-UHFFFAOYSA-N -1 3 391.456 3.391 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000122687322 1414538661 /nfs/dbraw/zinc/53/86/61/1414538661.db2.gz ZTNPURZLJFFHLL-CABCVRRESA-N -1 3 384.398 3.045 20 0 GGADHM CC(C)c1ccc(CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000122690040 1414539032 /nfs/dbraw/zinc/53/90/32/1414539032.db2.gz RUYQLEPCQHKIAJ-UHFFFAOYSA-N -1 3 380.488 3.433 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c(C)o1 ZINC000177640212 1428820017 /nfs/dbraw/zinc/82/00/17/1428820017.db2.gz OWEMZZRNCXMMQE-SECBINFHSA-N -1 3 390.383 3.006 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(Cc4ccccc4)c3C)nc21 ZINC000122887099 1414589293 /nfs/dbraw/zinc/58/92/93/1414589293.db2.gz QDLQBYGDYPAPJK-UHFFFAOYSA-N -1 3 389.415 3.155 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2nc(Cl)ccc2Cl)ccc1F ZINC000122896165 1414591429 /nfs/dbraw/zinc/59/14/29/1414591429.db2.gz GDGBVEYVPDOGDN-UHFFFAOYSA-N -1 3 393.223 3.256 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000122944679 1414602679 /nfs/dbraw/zinc/60/26/79/1414602679.db2.gz AXPHAXHHQCHEQR-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM O=S(=O)([N-]CC[C@H](O)c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000123180126 1414661773 /nfs/dbraw/zinc/66/17/73/1414661773.db2.gz JLTFTMGHUVJHJV-AWEZNQCLSA-N -1 3 377.359 3.247 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000123386395 1414712013 /nfs/dbraw/zinc/71/20/13/1414712013.db2.gz VGPGHNZYXKHSMO-UHFFFAOYSA-N -1 3 375.310 3.073 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000123386395 1414712017 /nfs/dbraw/zinc/71/20/17/1414712017.db2.gz VGPGHNZYXKHSMO-UHFFFAOYSA-N -1 3 375.310 3.073 20 0 GGADHM COC(=O)CCCc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000123579983 1414781624 /nfs/dbraw/zinc/78/16/24/1414781624.db2.gz IZLBWGISLOINAF-UHFFFAOYSA-N -1 3 376.331 3.448 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c1F ZINC000177699179 1428836454 /nfs/dbraw/zinc/83/64/54/1428836454.db2.gz LLJJLPYRFCBNBZ-UHFFFAOYSA-N -1 3 393.770 3.022 20 0 GGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000177700009 1428836884 /nfs/dbraw/zinc/83/68/84/1428836884.db2.gz WRYSOFVIMPTRCC-ZDUSSCGKSA-N -1 3 383.416 3.051 20 0 GGADHM O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000123668894 1414806851 /nfs/dbraw/zinc/80/68/51/1414806851.db2.gz OVCWOOYEHZTCGO-UHFFFAOYSA-N -1 3 375.388 3.220 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1OC(F)(F)F ZINC000123725275 1414816168 /nfs/dbraw/zinc/81/61/68/1414816168.db2.gz VAEHJEYTRCFKOR-UHFFFAOYSA-N -1 3 383.370 3.204 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)c1 ZINC000123736517 1414818005 /nfs/dbraw/zinc/81/80/05/1414818005.db2.gz NQHSLWPIEOZPID-UHFFFAOYSA-N -1 3 391.427 3.121 20 0 GGADHM CCc1nnc([N-]C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)s1 ZINC000123781960 1414824124 /nfs/dbraw/zinc/82/41/24/1414824124.db2.gz CZGCUQCSQITCJL-UHFFFAOYSA-N -1 3 386.481 3.283 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCc3cc(OC(F)F)ccc32)nc1Cl ZINC000123815785 1414828509 /nfs/dbraw/zinc/82/85/09/1414828509.db2.gz FBMCKYXKQVQZTA-LBPRGKRZSA-N -1 3 391.827 3.031 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000123832444 1414831409 /nfs/dbraw/zinc/83/14/09/1414831409.db2.gz MCOYSBWTSKMKER-LKFCYVNXSA-N -1 3 393.267 3.318 20 0 GGADHM Cc1noc(-c2ccccc2)c1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000123834117 1414831460 /nfs/dbraw/zinc/83/14/60/1414831460.db2.gz VYZCOMAJJUJNRK-UHFFFAOYSA-N -1 3 379.416 3.423 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000123858601 1414836956 /nfs/dbraw/zinc/83/69/56/1414836956.db2.gz GXYDVAMENJTNIX-MEBBXXQBSA-N -1 3 375.824 3.409 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000123887171 1414843546 /nfs/dbraw/zinc/84/35/46/1414843546.db2.gz DJXXAGPRGQXWDA-YGRLFVJLSA-N -1 3 375.824 3.409 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000123907343 1414847404 /nfs/dbraw/zinc/84/74/04/1414847404.db2.gz FPKUTECIQQDDHK-BMIGLBTASA-N -1 3 375.824 3.409 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)c1F ZINC000177719912 1428841818 /nfs/dbraw/zinc/84/18/18/1428841818.db2.gz NYPKFVMBDHPUOW-LBPRGKRZSA-N -1 3 383.416 3.142 20 0 GGADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124052504 1414876354 /nfs/dbraw/zinc/87/63/54/1414876354.db2.gz LOYFCBNMJXWHHB-UHFFFAOYSA-N -1 3 388.851 3.122 20 0 GGADHM CCCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000124087720 1414883166 /nfs/dbraw/zinc/88/31/66/1414883166.db2.gz MHRRGWHAMIYZBU-UHFFFAOYSA-N -1 3 392.452 3.308 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](Cc4ccccc4)C3)nc(=O)c2c1C ZINC000124254348 1414922039 /nfs/dbraw/zinc/92/20/39/1414922039.db2.gz KFWAYPVPPBTFJO-HNNXBMFYSA-N -1 3 397.500 3.144 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000177746158 1428849003 /nfs/dbraw/zinc/84/90/03/1428849003.db2.gz WWOADUOOUBAGKD-UHFFFAOYSA-N -1 3 386.402 3.095 20 0 GGADHM CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nnc1-c1cnccn1 ZINC000124314491 1414937048 /nfs/dbraw/zinc/93/70/48/1414937048.db2.gz PWHIXMYSGATRMT-UHFFFAOYSA-N -1 3 395.444 3.168 20 0 GGADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)cc1 ZINC000177764034 1428852754 /nfs/dbraw/zinc/85/27/54/1428852754.db2.gz WNNCCJZWARNMAO-UHFFFAOYSA-N -1 3 396.534 3.127 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000124553754 1414992447 /nfs/dbraw/zinc/99/24/47/1414992447.db2.gz ZEVVDOVGJKIRRH-AWEZNQCLSA-N -1 3 388.414 3.149 20 0 GGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000124557638 1414993646 /nfs/dbraw/zinc/99/36/46/1414993646.db2.gz WUIMBRYJPYDIPN-UHFFFAOYSA-N -1 3 397.862 3.434 20 0 GGADHM COCc1cccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826164672 1428856819 /nfs/dbraw/zinc/85/68/19/1428856819.db2.gz KOENFEYMODBGRS-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM COCc1cccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826164672 1428856825 /nfs/dbraw/zinc/85/68/25/1428856825.db2.gz KOENFEYMODBGRS-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c([O-])c1 ZINC000124650718 1415013628 /nfs/dbraw/zinc/01/36/28/1415013628.db2.gz IEVPFMWNDXGJSD-UHFFFAOYSA-N -1 3 375.428 3.302 20 0 GGADHM O=C(c1ccc2ccccc2c1[O-])N1CCN(CCCOCC(F)(F)F)CC1 ZINC000124662833 1415016657 /nfs/dbraw/zinc/01/66/57/1415016657.db2.gz DZBLOAUYXKIMGE-UHFFFAOYSA-N -1 3 396.409 3.272 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)nc1Cl ZINC000124775266 1415041615 /nfs/dbraw/zinc/04/16/15/1415041615.db2.gz OODLBSVZKMHGEE-OAHLLOKOSA-N -1 3 397.287 3.190 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000124797092 1415046126 /nfs/dbraw/zinc/04/61/26/1415046126.db2.gz OEWSNEVNRISLQN-UHFFFAOYSA-N -1 3 379.416 3.326 20 0 GGADHM CNc1c(Cl)ncnc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000124830510 1415054088 /nfs/dbraw/zinc/05/40/88/1415054088.db2.gz CMQFWXDFTNRXRX-UHFFFAOYSA-N -1 3 396.278 3.386 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2)c1nc(C2CC2)no1 ZINC000125031185 1415094973 /nfs/dbraw/zinc/09/49/73/1415094973.db2.gz SKOOTXONFRHDBK-KRWDZBQOSA-N -1 3 390.509 3.005 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000125212091 1415131499 /nfs/dbraw/zinc/13/14/99/1415131499.db2.gz ZNVXVCMWTWWTLV-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM COC(=O)c1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000125311697 1415160068 /nfs/dbraw/zinc/16/00/68/1415160068.db2.gz GIXNTRYLJCAPFP-UHFFFAOYSA-N -1 3 392.839 3.276 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)cc1C(F)(F)F ZINC000125555254 1415225651 /nfs/dbraw/zinc/22/56/51/1415225651.db2.gz XMDVMGDJVPQYDO-UHFFFAOYSA-N -1 3 397.382 3.099 20 0 GGADHM C[C@@H](O)CN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CCCCC1 ZINC000824706966 1428892028 /nfs/dbraw/zinc/89/20/28/1428892028.db2.gz MQVYCBBSQHQYMO-GFCCVEGCSA-N -1 3 394.317 3.145 20 0 GGADHM C[C@@H](O)CN(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CCCCC1 ZINC000824706966 1428892031 /nfs/dbraw/zinc/89/20/31/1428892031.db2.gz MQVYCBBSQHQYMO-GFCCVEGCSA-N -1 3 394.317 3.145 20 0 GGADHM CCN(CC)CC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125687102 1415254528 /nfs/dbraw/zinc/25/45/28/1415254528.db2.gz OIPGNRMPTKORTE-CQSZACIVSA-N -1 3 395.550 3.068 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN([C@@H](C)c3ccncc3)CC2)c(F)cc1F ZINC000125686974 1415254700 /nfs/dbraw/zinc/25/47/00/1415254700.db2.gz MSJBEFFNFHWDJX-AWEZNQCLSA-N -1 3 395.475 3.172 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN([C@@H](C)c3ccncc3)CC2)cc1F ZINC000125705746 1415258662 /nfs/dbraw/zinc/25/86/62/1415258662.db2.gz XHPCLXXBLZNMSC-AWEZNQCLSA-N -1 3 395.475 3.172 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000125714538 1415260438 /nfs/dbraw/zinc/26/04/38/1415260438.db2.gz ZIJKGVNTBMNWTG-LBPRGKRZSA-N -1 3 399.438 3.003 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)N(C)C)cc1 ZINC000821483162 1428885756 /nfs/dbraw/zinc/88/57/56/1428885756.db2.gz ZDKJSALRUOSHOQ-IBGZPJMESA-N -1 3 393.495 3.162 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)N(C)C)cc1 ZINC000821483162 1428885764 /nfs/dbraw/zinc/88/57/64/1428885764.db2.gz ZDKJSALRUOSHOQ-IBGZPJMESA-N -1 3 393.495 3.162 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1cccn2c(I)cnc12 ZINC000125737421 1415266437 /nfs/dbraw/zinc/26/64/37/1415266437.db2.gz AXMGMGSJCONWJA-UHFFFAOYSA-N -1 3 397.147 3.036 20 0 GGADHM CC[C@H](C(=O)N1CCC(NC(=O)c2c([O-])cccc2O)CC1)c1ccccc1 ZINC000125756311 1415271796 /nfs/dbraw/zinc/27/17/96/1415271796.db2.gz QJCHBEZUSLWLRE-KRWDZBQOSA-N -1 3 382.460 3.012 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000125784168 1415279932 /nfs/dbraw/zinc/27/99/32/1415279932.db2.gz GSIPAWDFNDBATR-ZDUSSCGKSA-N -1 3 397.903 3.378 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000125845498 1415295661 /nfs/dbraw/zinc/29/56/61/1415295661.db2.gz JOPVPNDLKDELKC-UHFFFAOYSA-N -1 3 387.379 3.104 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC2CC=CC2)c(Cl)cc1Cl ZINC000125910553 1415310849 /nfs/dbraw/zinc/31/08/49/1415310849.db2.gz ZLARRCFKOMPRQJ-UHFFFAOYSA-N -1 3 391.320 3.376 20 0 GGADHM Cc1cccc2c1CCN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000125967671 1415325265 /nfs/dbraw/zinc/32/52/65/1415325265.db2.gz MQQHUPVYOJJDEV-UHFFFAOYSA-N -1 3 376.453 3.024 20 0 GGADHM CCCOc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1OC ZINC000825339399 1428904113 /nfs/dbraw/zinc/90/41/13/1428904113.db2.gz ZBHATEKNCGTFBE-UHFFFAOYSA-N -1 3 379.464 3.443 20 0 GGADHM CCCOc1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1OC ZINC000825339399 1428904117 /nfs/dbraw/zinc/90/41/17/1428904117.db2.gz ZBHATEKNCGTFBE-UHFFFAOYSA-N -1 3 379.464 3.443 20 0 GGADHM CCC(CC)CS(=O)(=O)[N-]C1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC000126116551 1415361838 /nfs/dbraw/zinc/36/18/38/1415361838.db2.gz NWQSDKVRTLDKAL-INIZCTEOSA-N -1 3 399.557 3.479 20 0 GGADHM CC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1 ZINC000736368206 1428915538 /nfs/dbraw/zinc/91/55/38/1428915538.db2.gz ATKATIICOINRLB-DOMZBBRYSA-N -1 3 396.520 3.485 20 0 GGADHM CC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1 ZINC000736368206 1428915541 /nfs/dbraw/zinc/91/55/41/1428915541.db2.gz ATKATIICOINRLB-DOMZBBRYSA-N -1 3 396.520 3.485 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824334527 1428920654 /nfs/dbraw/zinc/92/06/54/1428920654.db2.gz XCYJZTFEVNZHTI-HNNXBMFYSA-N -1 3 394.479 3.333 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824334527 1428920659 /nfs/dbraw/zinc/92/06/59/1428920659.db2.gz XCYJZTFEVNZHTI-HNNXBMFYSA-N -1 3 394.479 3.333 20 0 GGADHM O=C(NCC[C@@H](O)c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000126229625 1415389511 /nfs/dbraw/zinc/38/95/11/1415389511.db2.gz BANDPYPPUDWLDZ-OAHLLOKOSA-N -1 3 379.254 3.078 20 0 GGADHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SC(F)(F)F)co1 ZINC000126262528 1415397655 /nfs/dbraw/zinc/39/76/55/1415397655.db2.gz XVXOCOBLMICSTE-UHFFFAOYSA-N -1 3 394.396 3.394 20 0 GGADHM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126298833 1415409388 /nfs/dbraw/zinc/40/93/88/1415409388.db2.gz AUYJGNHQRJQYRI-SJCJKPOMSA-N -1 3 393.281 3.466 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1cc2ccccc2s1)c1cc(F)c(F)c(F)c1 ZINC000126379132 1415431222 /nfs/dbraw/zinc/43/12/22/1415431222.db2.gz ZDZFBNLUCJDAOR-CYBMUJFWSA-N -1 3 387.404 3.331 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1F ZINC000126431626 1415451203 /nfs/dbraw/zinc/45/12/03/1415451203.db2.gz UBEIMCLBXKROJD-UHFFFAOYSA-N -1 3 390.367 3.493 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)cc1 ZINC000126452828 1415457397 /nfs/dbraw/zinc/45/73/97/1415457397.db2.gz ARARVKFEWPXNDO-UHFFFAOYSA-N -1 3 398.431 3.256 20 0 GGADHM C[C@H](NCc1cnc2ccc(Br)cn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437694 1428925584 /nfs/dbraw/zinc/92/55/84/1428925584.db2.gz BJDPCSCOTGIKGQ-NSHDSACASA-N -1 3 398.268 3.128 20 0 GGADHM C[C@H](NCc1cnc2ccc(Br)cn12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437694 1428925585 /nfs/dbraw/zinc/92/55/85/1428925585.db2.gz BJDPCSCOTGIKGQ-NSHDSACASA-N -1 3 398.268 3.128 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC(c2ccccc2F)CC1 ZINC000737033667 1428941036 /nfs/dbraw/zinc/94/10/36/1428941036.db2.gz WWKXMVDWAAFQPC-UHFFFAOYSA-N -1 3 397.454 3.273 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCC(c2ccccc2F)CC1 ZINC000737033667 1428941039 /nfs/dbraw/zinc/94/10/39/1428941039.db2.gz WWKXMVDWAAFQPC-UHFFFAOYSA-N -1 3 397.454 3.273 20 0 GGADHM C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000126703155 1415530798 /nfs/dbraw/zinc/53/07/98/1415530798.db2.gz PZRWQNIUOQLKLV-NSHDSACASA-N -1 3 393.237 3.408 20 0 GGADHM c1ccc2cc(CN3CCN(Cc4cccc(-c5nn[n-]n5)c4)CC3)ccc2c1 ZINC001139853675 1428951349 /nfs/dbraw/zinc/95/13/49/1428951349.db2.gz YXTWQRNEAXDQGG-UHFFFAOYSA-N -1 3 384.487 3.338 20 0 GGADHM c1ccc2cc(CN3CCN(Cc4cccc(-c5nnn[n-]5)c4)CC3)ccc2c1 ZINC001139853675 1428951351 /nfs/dbraw/zinc/95/13/51/1428951351.db2.gz YXTWQRNEAXDQGG-UHFFFAOYSA-N -1 3 384.487 3.338 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000126867404 1415589346 /nfs/dbraw/zinc/58/93/46/1415589346.db2.gz WTYYXJYSELALAT-UHFFFAOYSA-N -1 3 393.896 3.334 20 0 GGADHM CC(C)[C@@H](CNC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824563831 1428956695 /nfs/dbraw/zinc/95/66/95/1428956695.db2.gz QNJJGEUDJUIBLW-OXJNMPFZSA-N -1 3 392.507 3.073 20 0 GGADHM CC(C)[C@@H](CNC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824563831 1428956697 /nfs/dbraw/zinc/95/66/97/1428956697.db2.gz QNJJGEUDJUIBLW-OXJNMPFZSA-N -1 3 392.507 3.073 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]c1cccc(N2CCN(C(C)C)CC2)c1 ZINC000126941968 1415615042 /nfs/dbraw/zinc/61/50/42/1415615042.db2.gz NMHAAICSDXQMRU-UHFFFAOYSA-N -1 3 395.550 3.088 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000127011303 1415635753 /nfs/dbraw/zinc/63/57/53/1415635753.db2.gz ODSUPBVISYNJOJ-RHSMWYFYSA-N -1 3 381.432 3.025 20 0 GGADHM Cc1nn(C)cc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127183110 1415680589 /nfs/dbraw/zinc/68/05/89/1415680589.db2.gz XWLRRXQXTLLNNS-UHFFFAOYSA-N -1 3 384.505 3.161 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)c2)n1 ZINC000127267185 1415710245 /nfs/dbraw/zinc/71/02/45/1415710245.db2.gz QBVMJQBJYVQNOM-AWEZNQCLSA-N -1 3 398.507 3.269 20 0 GGADHM C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2o1 ZINC000178121657 1428990774 /nfs/dbraw/zinc/99/07/74/1428990774.db2.gz WUGRXTOEKXLPMV-HNNXBMFYSA-N -1 3 378.428 3.227 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000820676380 1428986758 /nfs/dbraw/zinc/98/67/58/1428986758.db2.gz MMNDNFKWNKAIKY-VMDGZTHMSA-N -1 3 379.464 3.281 20 0 GGADHM CN(CCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000127378607 1415758719 /nfs/dbraw/zinc/75/87/19/1415758719.db2.gz PCQREZBRWKGRLF-UHFFFAOYSA-N -1 3 377.473 3.337 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000127570745 1415811488 /nfs/dbraw/zinc/81/14/88/1415811488.db2.gz LMBDRQOKWMZTCH-AWEZNQCLSA-N -1 3 392.459 3.206 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c(=O)[n-]1 ZINC000127742424 1415842565 /nfs/dbraw/zinc/84/25/65/1415842565.db2.gz IPVAEIKNZCLAAK-UHFFFAOYSA-N -1 3 384.867 3.039 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000127817917 1415856628 /nfs/dbraw/zinc/85/66/28/1415856628.db2.gz RVSOMSCVYMVZBB-UHFFFAOYSA-N -1 3 392.434 3.013 20 0 GGADHM COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)ccc1Br ZINC000178184006 1429011536 /nfs/dbraw/zinc/01/15/36/1429011536.db2.gz GGFNCLFWOKGOLU-UHFFFAOYSA-N -1 3 385.283 3.325 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000127896952 1415872089 /nfs/dbraw/zinc/87/20/89/1415872089.db2.gz QDXMYSJRHGVUBP-CYBMUJFWSA-N -1 3 398.413 3.181 20 0 GGADHM CCOCCOc1cc(C)ccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000127901504 1415872428 /nfs/dbraw/zinc/87/24/28/1415872428.db2.gz CBRCBRYHZFGBNG-UHFFFAOYSA-N -1 3 376.428 3.254 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000128020895 1415894937 /nfs/dbraw/zinc/89/49/37/1415894937.db2.gz QOICXCKVVPZCLP-GFCCVEGCSA-N -1 3 393.896 3.336 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000128064953 1415904554 /nfs/dbraw/zinc/90/45/54/1415904554.db2.gz BFUVQPPMTXBIJR-CQSZACIVSA-N -1 3 387.399 3.210 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000128067878 1415904576 /nfs/dbraw/zinc/90/45/76/1415904576.db2.gz YCHWXBJIXOYGMN-CYBMUJFWSA-N -1 3 399.838 3.209 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCN1CCc2ccccc2C1 ZINC000737628643 1429026036 /nfs/dbraw/zinc/02/60/36/1429026036.db2.gz ZUJPGGSBINMZAX-UHFFFAOYSA-N -1 3 388.397 3.356 20 0 GGADHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1NCCN1CCc2ccccc2C1 ZINC000737628643 1429026042 /nfs/dbraw/zinc/02/60/42/1429026042.db2.gz ZUJPGGSBINMZAX-UHFFFAOYSA-N -1 3 388.397 3.356 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128083964 1415908648 /nfs/dbraw/zinc/90/86/48/1415908648.db2.gz OVCXKXNEZVMYLU-UHFFFAOYSA-N -1 3 397.456 3.015 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000128116980 1415916665 /nfs/dbraw/zinc/91/66/65/1415916665.db2.gz BVNPNPVQJAAWEF-UHFFFAOYSA-N -1 3 385.387 3.110 20 0 GGADHM CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128188489 1415934981 /nfs/dbraw/zinc/93/49/81/1415934981.db2.gz AJZGFPMZUNZPCB-UHFFFAOYSA-N -1 3 380.441 3.002 20 0 GGADHM CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cccc([O-])c3F)cc2)c1C ZINC000128214366 1415940774 /nfs/dbraw/zinc/94/07/74/1415940774.db2.gz ALRGEAURUJCQFT-UHFFFAOYSA-N -1 3 383.379 3.454 20 0 GGADHM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000128215085 1415941488 /nfs/dbraw/zinc/94/14/88/1415941488.db2.gz LAAKKNKWKPPZPT-CQSZACIVSA-N -1 3 392.814 3.437 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC(C)(C)c2ccccc21 ZINC000128246683 1415947465 /nfs/dbraw/zinc/94/74/65/1415947465.db2.gz IBLNHTGDXMHIBN-HNNXBMFYSA-N -1 3 377.437 3.313 20 0 GGADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc([O-])c3F)cc2)CC1 ZINC000128308860 1415959184 /nfs/dbraw/zinc/95/91/84/1415959184.db2.gz WVHDFTIRCIRPBZ-UHFFFAOYSA-N -1 3 392.452 3.204 20 0 GGADHM CCc1nc(CN2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)cs1 ZINC000128440975 1415987964 /nfs/dbraw/zinc/98/79/64/1415987964.db2.gz SWBCHVBGNKZSPD-UHFFFAOYSA-N -1 3 399.516 3.144 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000128460313 1415992211 /nfs/dbraw/zinc/99/22/11/1415992211.db2.gz BSWKFSMCGWJDKM-UHFFFAOYSA-N -1 3 392.452 3.348 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128474781 1415995620 /nfs/dbraw/zinc/99/56/20/1415995620.db2.gz MONWERRTEKOEES-UHFFFAOYSA-N -1 3 380.441 3.123 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cnc(-c3cccs3)o2)ccc1F ZINC000128558977 1416012585 /nfs/dbraw/zinc/01/25/85/1416012585.db2.gz VGHZHVGJEICLNB-UHFFFAOYSA-N -1 3 396.421 3.271 20 0 GGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000128630879 1416029618 /nfs/dbraw/zinc/02/96/18/1416029618.db2.gz GVMUAPAYQGETCM-KRWDZBQOSA-N -1 3 393.484 3.131 20 0 GGADHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128726750 1416052491 /nfs/dbraw/zinc/05/24/91/1416052491.db2.gz MRIKHFDOZNRPKJ-ZDUSSCGKSA-N -1 3 392.452 3.347 20 0 GGADHM COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc([O-])c2F)CC1=O ZINC000128742459 1416056699 /nfs/dbraw/zinc/05/66/99/1416056699.db2.gz MEXNXMHHRPMXHB-JTQLQIEISA-N -1 3 378.787 3.185 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825141384 1429057222 /nfs/dbraw/zinc/05/72/22/1429057222.db2.gz OAGNEBBEQPSWIY-LRDDRELGSA-N -1 3 398.467 3.153 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825141384 1429057226 /nfs/dbraw/zinc/05/72/26/1429057226.db2.gz OAGNEBBEQPSWIY-LRDDRELGSA-N -1 3 398.467 3.153 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000823303458 1429048997 /nfs/dbraw/zinc/04/89/97/1429048997.db2.gz IWNFBIVNTFXWJJ-UHFFFAOYSA-N -1 3 389.891 3.002 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000823303458 1429049004 /nfs/dbraw/zinc/04/90/04/1429049004.db2.gz IWNFBIVNTFXWJJ-UHFFFAOYSA-N -1 3 389.891 3.002 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000128974117 1416117336 /nfs/dbraw/zinc/11/73/36/1416117336.db2.gz DDCWNNYPNXADFZ-OAHLLOKOSA-N -1 3 388.489 3.202 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000128973899 1416117499 /nfs/dbraw/zinc/11/74/99/1416117499.db2.gz DDCWNNYPNXADFZ-HNNXBMFYSA-N -1 3 388.489 3.202 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccco1 ZINC000129010286 1416124708 /nfs/dbraw/zinc/12/47/08/1416124708.db2.gz ATVAWOFLHUUQPT-GOSISDBHSA-N -1 3 375.384 3.044 20 0 GGADHM O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cccc([O-])c1F ZINC000129041821 1416131819 /nfs/dbraw/zinc/13/18/19/1416131819.db2.gz ALCSIEHCARWAFC-UHFFFAOYSA-N -1 3 387.436 3.210 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CSC ZINC000129128747 1416152512 /nfs/dbraw/zinc/15/25/12/1416152512.db2.gz SAQAEIZZVKMXDE-ZETCQYMHSA-N -1 3 388.736 3.141 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1cccn2c(I)cnc12 ZINC000129179332 1416164094 /nfs/dbraw/zinc/16/40/94/1416164094.db2.gz VSVVDXSEDTUNIA-UHFFFAOYSA-N -1 3 397.147 3.036 20 0 GGADHM Cc1cc(-c2noc(CCC(=O)Nc3n[n-]c(-c4ccco4)n3)n2)ccc1F ZINC000129275621 1416183896 /nfs/dbraw/zinc/18/38/96/1416183896.db2.gz FWZKTVHHDYXMAC-UHFFFAOYSA-N -1 3 382.355 3.134 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000129402557 1416203860 /nfs/dbraw/zinc/20/38/60/1416203860.db2.gz WAQPGXQOMMEMIE-GFCCVEGCSA-N -1 3 392.814 3.051 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccco2)Cc2cccnc2)c([O-])c1 ZINC000129404111 1416204241 /nfs/dbraw/zinc/20/42/41/1416204241.db2.gz ABWUHRVQPFFGOF-UHFFFAOYSA-N -1 3 393.443 3.038 20 0 GGADHM CCOc1cccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1OC(F)F ZINC000129568911 1416229800 /nfs/dbraw/zinc/22/98/00/1416229800.db2.gz GHQPXJBFRQSPHK-RVDMUPIBSA-N -1 3 388.370 3.087 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccnc(OCC(F)F)c3)c2)n1 ZINC000129668210 1416245680 /nfs/dbraw/zinc/24/56/80/1416245680.db2.gz XTCMZAKUSZZOBU-UHFFFAOYSA-N -1 3 387.342 3.003 20 0 GGADHM COc1cc(C(C)=O)ccc1Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000129747042 1416257299 /nfs/dbraw/zinc/25/72/99/1416257299.db2.gz ILXCQFAXOSDNHA-UHFFFAOYSA-N -1 3 392.440 3.471 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000129761172 1416259623 /nfs/dbraw/zinc/25/96/23/1416259623.db2.gz AHTPQZPAEVZMNZ-UHFFFAOYSA-N -1 3 392.242 3.340 20 0 GGADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cn(Cc2cccc(F)c2)nn1 ZINC000129795167 1416264785 /nfs/dbraw/zinc/26/47/85/1416264785.db2.gz ZTWGKQJAQHDKOQ-UHFFFAOYSA-N -1 3 398.398 3.375 20 0 GGADHM CC(C)c1nc(C(=O)[N-]c2nc3ccc(F)cn3n2)nn1-c1ccccc1Cl ZINC000129833749 1416270900 /nfs/dbraw/zinc/27/09/00/1416270900.db2.gz VQGLQNFZEHLEBN-UHFFFAOYSA-N -1 3 399.817 3.478 20 0 GGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000129897949 1416281940 /nfs/dbraw/zinc/28/19/40/1416281940.db2.gz MJZPFFBKWIFBES-UHFFFAOYSA-N -1 3 397.391 3.015 20 0 GGADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000129962445 1416291917 /nfs/dbraw/zinc/29/19/17/1416291917.db2.gz LLCDMIXFTODESI-UHFFFAOYSA-N -1 3 379.464 3.185 20 0 GGADHM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000129994129 1416298271 /nfs/dbraw/zinc/29/82/71/1416298271.db2.gz JFFWVWJIXLEBHG-HNNXBMFYSA-N -1 3 391.353 3.128 20 0 GGADHM Cc1cccc(C(=O)[N-]n2c(C)nc3sccc3c2=O)c1Br ZINC000130122404 1416321901 /nfs/dbraw/zinc/32/19/01/1416321901.db2.gz YIWPPAIQXPFMDM-UHFFFAOYSA-N -1 3 378.251 3.221 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1Br ZINC000130136469 1416324867 /nfs/dbraw/zinc/32/48/67/1416324867.db2.gz XKYIKZZYRMTZHE-ZIAGYGMSSA-N -1 3 395.203 3.292 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1Br ZINC000130135896 1416324969 /nfs/dbraw/zinc/32/49/69/1416324969.db2.gz XKYIKZZYRMTZHE-KBPBESRZSA-N -1 3 395.203 3.292 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC000130205434 1416339442 /nfs/dbraw/zinc/33/94/42/1416339442.db2.gz IGYUYUVGYFXAON-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1c(F)cccc1Br)c1nccs1 ZINC000130225075 1416342598 /nfs/dbraw/zinc/34/25/98/1416342598.db2.gz SXHCHLBPQJHGAZ-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(F)cccc2Br)c1 ZINC000130318770 1416357226 /nfs/dbraw/zinc/35/72/26/1416357226.db2.gz STARCXRPRPNQPR-UHFFFAOYSA-N -1 3 387.205 3.077 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)c(=O)[n-]1 ZINC000130453084 1416380821 /nfs/dbraw/zinc/38/08/21/1416380821.db2.gz GKFUBJPEAWILED-UHFFFAOYSA-N -1 3 398.850 3.171 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(=O)[n-]1 ZINC000130747682 1416441832 /nfs/dbraw/zinc/44/18/32/1416441832.db2.gz UPVHVXRYOMFFSW-HNNXBMFYSA-N -1 3 385.361 3.268 20 0 GGADHM CC(C)OC(=O)C[C@@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824304625 1429098234 /nfs/dbraw/zinc/09/82/34/1429098234.db2.gz DFZCIGAXCNKLIV-GOSISDBHSA-N -1 3 383.427 3.178 20 0 GGADHM CC(C)OC(=O)C[C@@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824304625 1429098242 /nfs/dbraw/zinc/09/82/42/1429098242.db2.gz DFZCIGAXCNKLIV-GOSISDBHSA-N -1 3 383.427 3.178 20 0 GGADHM Cc1c[nH]c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)n1 ZINC000130914107 1416479864 /nfs/dbraw/zinc/47/98/64/1416479864.db2.gz VAPREWGCTSFKIJ-UHFFFAOYSA-N -1 3 388.424 3.219 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000130918157 1416481064 /nfs/dbraw/zinc/48/10/64/1416481064.db2.gz DYVDGHBHRAJNHV-WDEREUQCSA-N -1 3 381.398 3.256 20 0 GGADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000130929199 1416483034 /nfs/dbraw/zinc/48/30/34/1416483034.db2.gz IISXXNWXNIAAQP-UHFFFAOYSA-N -1 3 378.360 3.159 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000130981365 1416491407 /nfs/dbraw/zinc/49/14/07/1416491407.db2.gz MMHXJHKCEDQFJF-UHFFFAOYSA-N -1 3 386.402 3.095 20 0 GGADHM COc1ccc(S(C)(=O)=O)cc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000131012058 1416496043 /nfs/dbraw/zinc/49/60/43/1416496043.db2.gz FUQLJCHYXQMTAC-UHFFFAOYSA-N -1 3 386.429 3.314 20 0 GGADHM Cc1ccc(-c2cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)on2)cc1 ZINC000131026025 1416497769 /nfs/dbraw/zinc/49/77/69/1416497769.db2.gz BOLVQVGUAYXIMF-UHFFFAOYSA-N -1 3 377.444 3.314 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000131171336 1416519133 /nfs/dbraw/zinc/51/91/33/1416519133.db2.gz BSNDQYSWIPDEJK-CQSZACIVSA-N -1 3 376.478 3.171 20 0 GGADHM CCCc1nnc([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)s1 ZINC000131384691 1416548830 /nfs/dbraw/zinc/54/88/30/1416548830.db2.gz OJFVPXRRUPJQLC-UHFFFAOYSA-N -1 3 382.371 3.342 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000131420712 1416554876 /nfs/dbraw/zinc/55/48/76/1416554876.db2.gz YVQXVITZXKQQPA-FXAWDEMLSA-N -1 3 391.471 3.432 20 0 GGADHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000131437304 1416557864 /nfs/dbraw/zinc/55/78/64/1416557864.db2.gz LIHGNEUXMAEDJR-UHFFFAOYSA-N -1 3 378.476 3.125 20 0 GGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000131475990 1416563549 /nfs/dbraw/zinc/56/35/49/1416563549.db2.gz RBRANUGMAWOWLN-UHFFFAOYSA-N -1 3 380.779 3.071 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c1 ZINC000131483091 1416564412 /nfs/dbraw/zinc/56/44/12/1416564412.db2.gz MCAXYXINDWUWFV-UHFFFAOYSA-N -1 3 390.505 3.409 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1OC ZINC000131518180 1416570065 /nfs/dbraw/zinc/57/00/65/1416570065.db2.gz KPRQEWLTFNZINJ-UHFFFAOYSA-N -1 3 396.896 3.484 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)ccc1OC ZINC000131579078 1416579116 /nfs/dbraw/zinc/57/91/16/1416579116.db2.gz VUCJFKZPGLLLQA-UHFFFAOYSA-N -1 3 376.478 3.139 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(F)cc2Cl)s1 ZINC000131593756 1416581478 /nfs/dbraw/zinc/58/14/78/1416581478.db2.gz MKYSXXVBSWWIAA-UHFFFAOYSA-N -1 3 399.252 3.286 20 0 GGADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cccc(C(=O)N3CCCC3)n2)n1 ZINC000131612328 1416584208 /nfs/dbraw/zinc/58/42/08/1416584208.db2.gz ZCCRXSKHJQHOIE-UHFFFAOYSA-N -1 3 399.501 3.458 20 0 GGADHM CCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000132039072 1416680029 /nfs/dbraw/zinc/68/00/29/1416680029.db2.gz KCJZRSQBDCWWBZ-RTBURBONSA-N -1 3 389.540 3.296 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)c(C)o1 ZINC000132110539 1416698240 /nfs/dbraw/zinc/69/82/40/1416698240.db2.gz YMTXGZZYCYSYMT-UHFFFAOYSA-N -1 3 398.912 3.148 20 0 GGADHM CCC[C@@H]1CN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CCO1 ZINC000132136819 1416704980 /nfs/dbraw/zinc/70/49/80/1416704980.db2.gz BAZVQNBPRMUIBF-QWHCGFSZSA-N -1 3 393.509 3.032 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000132383074 1416749846 /nfs/dbraw/zinc/74/98/46/1416749846.db2.gz ZXQDEPKDHFCFSC-UHFFFAOYSA-N -1 3 375.419 3.116 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000132388176 1416750604 /nfs/dbraw/zinc/75/06/04/1416750604.db2.gz IJMPPRCWBZYMAJ-OAHLLOKOSA-N -1 3 384.407 3.225 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([C@@H](C)O)cc2)sc1Br ZINC000178614774 1429122404 /nfs/dbraw/zinc/12/24/04/1429122404.db2.gz RYMXAIJXRBLKBK-SNVBAGLBSA-N -1 3 390.324 3.351 20 0 GGADHM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000178669727 1429134069 /nfs/dbraw/zinc/13/40/69/1429134069.db2.gz GZOQDNBGQJQUGO-AWEZNQCLSA-N -1 3 376.261 3.014 20 0 GGADHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC(C)(C)C ZINC000132602554 1416791574 /nfs/dbraw/zinc/79/15/74/1416791574.db2.gz ZOEKUMVTJQDDKW-QGZVFWFLSA-N -1 3 392.521 3.411 20 0 GGADHM Cn1ccnc1Sc1ncc(C(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000132672996 1416802379 /nfs/dbraw/zinc/80/23/79/1416802379.db2.gz AQRUJZTVRSSMSL-UHFFFAOYSA-N -1 3 392.843 3.394 20 0 GGADHM O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccc([O-])c(F)c1 ZINC000132717357 1416807525 /nfs/dbraw/zinc/80/75/25/1416807525.db2.gz KKNJEVRFJQOZQQ-UHFFFAOYSA-N -1 3 391.449 3.161 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000132740100 1416810016 /nfs/dbraw/zinc/81/00/16/1416810016.db2.gz JQTIRXSHUZKEAE-UHFFFAOYSA-N -1 3 376.281 3.136 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000132778482 1416813873 /nfs/dbraw/zinc/81/38/73/1416813873.db2.gz LKFXEJVHZBZBIR-UHFFFAOYSA-N -1 3 386.810 3.325 20 0 GGADHM O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1ccc([O-])c(F)c1 ZINC000132847181 1416822677 /nfs/dbraw/zinc/82/26/77/1416822677.db2.gz FRVPENFFBDRTFX-UHFFFAOYSA-N -1 3 385.420 3.099 20 0 GGADHM Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3n[n-]c(-c4ccco4)n3)C2)c1 ZINC000132853989 1416823428 /nfs/dbraw/zinc/82/34/28/1416823428.db2.gz MBQWPCDFMFZZFN-HNNXBMFYSA-N -1 3 393.447 3.172 20 0 GGADHM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc([O-])c(F)c3)C2)c1 ZINC000132900960 1416828884 /nfs/dbraw/zinc/82/88/84/1416828884.db2.gz SWPLOEJCAWPCMC-QGZVFWFLSA-N -1 3 384.451 3.317 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccs1 ZINC000132918501 1416831148 /nfs/dbraw/zinc/83/11/48/1416831148.db2.gz DZDOQLPKFRYBBT-JTQLQIEISA-N -1 3 395.289 3.033 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000132920012 1416831228 /nfs/dbraw/zinc/83/12/28/1416831228.db2.gz JPYDLZBPPFCAEN-UHFFFAOYSA-N -1 3 376.391 3.254 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccs1 ZINC000132918728 1416831318 /nfs/dbraw/zinc/83/13/18/1416831318.db2.gz DZDOQLPKFRYBBT-SNVBAGLBSA-N -1 3 395.289 3.033 20 0 GGADHM Cc1ccccc1[C@H]1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000822350711 1429132595 /nfs/dbraw/zinc/13/25/95/1429132595.db2.gz GDNLWCQRVWVICE-KRWDZBQOSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccccc1[C@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000822350711 1429132600 /nfs/dbraw/zinc/13/26/00/1429132600.db2.gz GDNLWCQRVWVICE-KRWDZBQOSA-N -1 3 387.447 3.215 20 0 GGADHM O=C(NCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1)c1cccs1 ZINC000133044917 1416845593 /nfs/dbraw/zinc/84/55/93/1416845593.db2.gz VZWVWYYPEWJISA-UHFFFAOYSA-N -1 3 384.432 3.453 20 0 GGADHM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([O-])c(F)c2)NC(=S)N1 ZINC000133085593 1416850300 /nfs/dbraw/zinc/85/03/00/1416850300.db2.gz DNIBHAYXPILMSX-MRXNPFEDSA-N -1 3 375.400 3.102 20 0 GGADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000178676554 1429137137 /nfs/dbraw/zinc/13/71/37/1429137137.db2.gz VXYVSJNXCHBQRL-OFAQMXQXSA-N -1 3 389.370 3.166 20 0 GGADHM COc1ccc(-n2ccnc2SCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133207383 1416864471 /nfs/dbraw/zinc/86/44/71/1416864471.db2.gz BRUSFIUNCHMULY-UHFFFAOYSA-N -1 3 387.436 3.134 20 0 GGADHM Cc1nncn1-c1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000133282433 1416874101 /nfs/dbraw/zinc/87/41/01/1416874101.db2.gz PJIKDTZMEBMJDT-UHFFFAOYSA-N -1 3 377.379 3.117 20 0 GGADHM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000133407282 1416886891 /nfs/dbraw/zinc/88/68/91/1416886891.db2.gz PBJOAIZSAGFAMO-INIZCTEOSA-N -1 3 378.350 3.033 20 0 GGADHM CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000133487460 1416894699 /nfs/dbraw/zinc/89/46/99/1416894699.db2.gz CGEWAWLAMMXDQU-MRXNPFEDSA-N -1 3 390.505 3.259 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)Cc3ccc(OC)c(OC)c3)nc2)n1 ZINC000133528285 1416898294 /nfs/dbraw/zinc/89/82/94/1416898294.db2.gz QRWOVCAZPXAAEX-UHFFFAOYSA-N -1 3 394.475 3.438 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000133557639 1416903993 /nfs/dbraw/zinc/90/39/93/1416903993.db2.gz LQGRIKKOXWUOSH-UHFFFAOYSA-N -1 3 397.258 3.292 20 0 GGADHM Cc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1N1CCSCC1 ZINC000133810994 1416967876 /nfs/dbraw/zinc/96/78/76/1416967876.db2.gz RILKKFQPUOKVHQ-QGOAFFKASA-N -1 3 379.485 3.271 20 0 GGADHM Cc1cccc([C@H](CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)NC(N)=O)c1 ZINC000134097648 1417021859 /nfs/dbraw/zinc/02/18/59/1417021859.db2.gz FXQGHYDZJDNJKY-AWEZNQCLSA-N -1 3 381.354 3.458 20 0 GGADHM Cc1ccccc1[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)NC(N)=O ZINC000134155518 1417030626 /nfs/dbraw/zinc/03/06/26/1417030626.db2.gz BGZNDKSNZRCSHM-CQSZACIVSA-N -1 3 381.354 3.458 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000134175852 1417034033 /nfs/dbraw/zinc/03/40/33/1417034033.db2.gz QYKIEFJEPKXYCL-CYBMUJFWSA-N -1 3 393.365 3.297 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000134186318 1417035135 /nfs/dbraw/zinc/03/51/35/1417035135.db2.gz XNTXEPOFIYYWLL-SNVBAGLBSA-N -1 3 385.346 3.028 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000134186318 1417035141 /nfs/dbraw/zinc/03/51/41/1417035141.db2.gz XNTXEPOFIYYWLL-SNVBAGLBSA-N -1 3 385.346 3.028 20 0 GGADHM CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134222055 1417040083 /nfs/dbraw/zinc/04/00/83/1417040083.db2.gz LUNMSGRFJKGMRS-UHFFFAOYSA-N -1 3 387.379 3.386 20 0 GGADHM O=C(CCNC(=O)c1[nH]nc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134221949 1417040230 /nfs/dbraw/zinc/04/02/30/1417040230.db2.gz YFSSDZFZOALPJZ-UHFFFAOYSA-N -1 3 392.337 3.046 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000134387953 1417063635 /nfs/dbraw/zinc/06/36/35/1417063635.db2.gz QTDJNRBPFVWQOS-CYBMUJFWSA-N -1 3 391.830 3.152 20 0 GGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)cc21 ZINC000134443420 1417068680 /nfs/dbraw/zinc/06/86/80/1417068680.db2.gz LQFVXZDCLNUFGQ-UHFFFAOYSA-N -1 3 384.379 3.204 20 0 GGADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)C1CC1 ZINC000134465455 1417072849 /nfs/dbraw/zinc/07/28/49/1417072849.db2.gz QATWODHKONEFDI-UHFFFAOYSA-N -1 3 384.501 3.487 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000134468324 1417073358 /nfs/dbraw/zinc/07/33/58/1417073358.db2.gz HXWQRVHPLYSEJX-UHFFFAOYSA-N -1 3 388.424 3.079 20 0 GGADHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000134493237 1417076371 /nfs/dbraw/zinc/07/63/71/1417076371.db2.gz LAXSNLNIUREUOV-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cccc(C)c2)sc1Br ZINC000134498602 1417077299 /nfs/dbraw/zinc/07/72/99/1417077299.db2.gz URBWVEHJDMIPAE-GFCCVEGCSA-N -1 3 390.324 3.139 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000134537748 1417083950 /nfs/dbraw/zinc/08/39/50/1417083950.db2.gz XVCFYVVDIKKSNJ-GFCCVEGCSA-N -1 3 387.440 3.040 20 0 GGADHM CCc1cc2c(CN3CCN([C@@H](C)C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000178740218 1429158315 /nfs/dbraw/zinc/15/83/15/1429158315.db2.gz IMBSVNQDBIRQAT-LBPRGKRZSA-N -1 3 384.398 3.129 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000134913769 1417144347 /nfs/dbraw/zinc/14/43/47/1417144347.db2.gz GKZFMJKPBBCDPP-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(C)nc2ccccc12 ZINC000737002637 1429162533 /nfs/dbraw/zinc/16/25/33/1429162533.db2.gz QKQQBJWROQRJMK-UHFFFAOYSA-N -1 3 388.475 3.372 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(C)nc2ccccc12 ZINC000737002637 1429162538 /nfs/dbraw/zinc/16/25/38/1429162538.db2.gz QKQQBJWROQRJMK-UHFFFAOYSA-N -1 3 388.475 3.372 20 0 GGADHM Cc1ccc(OCCCC(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000135019864 1417162524 /nfs/dbraw/zinc/16/25/24/1417162524.db2.gz KIIMPBAIQZVHNA-UHFFFAOYSA-N -1 3 390.867 3.059 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)n[n-]1 ZINC000135169788 1417180507 /nfs/dbraw/zinc/18/05/07/1417180507.db2.gz XRAIKLMHTVDPGN-UHFFFAOYSA-N -1 3 388.786 3.232 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)n[n-]1 ZINC000135168967 1417180575 /nfs/dbraw/zinc/18/05/75/1417180575.db2.gz IXAORGJPGVEPFK-UHFFFAOYSA-N -1 3 390.852 3.463 20 0 GGADHM CC(C)(CCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000178772812 1429165474 /nfs/dbraw/zinc/16/54/74/1429165474.db2.gz ZNYXTWVYWUYEJT-UHFFFAOYSA-N -1 3 380.488 3.435 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(Br)n1 ZINC000135242932 1417195345 /nfs/dbraw/zinc/19/53/45/1417195345.db2.gz PBINCTXOBBHPNZ-UHFFFAOYSA-N -1 3 376.663 3.310 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(OCC(F)F)n3)c[n-]c12 ZINC000135250829 1417196586 /nfs/dbraw/zinc/19/65/86/1417196586.db2.gz FJAWMZQAVHZXOR-UHFFFAOYSA-N -1 3 377.322 3.267 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc(OC)c1[O-] ZINC000135258593 1417198741 /nfs/dbraw/zinc/19/87/41/1417198741.db2.gz WFURCQTVNBDNPV-LBPRGKRZSA-N -1 3 394.830 3.211 20 0 GGADHM CCC[C@@H](C)[C@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000135345515 1417210182 /nfs/dbraw/zinc/21/01/82/1417210182.db2.gz KRPODZWODHHAKW-DGCLKSJQSA-N -1 3 377.510 3.480 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1C ZINC000135511442 1417231322 /nfs/dbraw/zinc/23/13/22/1417231322.db2.gz MYILCMHIUUHUKT-UHFFFAOYSA-N -1 3 395.387 3.396 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCO[C@](C)(CC)C3)nc(=O)c2c1C ZINC000135694702 1417258732 /nfs/dbraw/zinc/25/87/32/1417258732.db2.gz JEIWCBGPFCZDGY-HXPMCKFVSA-N -1 3 393.509 3.032 20 0 GGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000135704092 1417259589 /nfs/dbraw/zinc/25/95/89/1417259589.db2.gz XAMFEJWOBMMAFT-UHFFFAOYSA-N -1 3 395.484 3.456 20 0 GGADHM Cc1cc(Cl)ncc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000135857190 1417274262 /nfs/dbraw/zinc/27/42/62/1417274262.db2.gz JNYHZEKFRCWCFK-UHFFFAOYSA-N -1 3 385.848 3.122 20 0 GGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn(-c4cccc(C)c4)nn3)s2)cc1 ZINC000136330550 1417309870 /nfs/dbraw/zinc/30/98/70/1417309870.db2.gz YNQQLHVKLWTUMX-UHFFFAOYSA-N -1 3 392.444 3.355 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000136415741 1417315111 /nfs/dbraw/zinc/31/51/11/1417315111.db2.gz IBULZSFQVXLXSL-SFHVURJKSA-N -1 3 395.286 3.190 20 0 GGADHM O=C(Nc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136705327 1417340829 /nfs/dbraw/zinc/34/08/29/1417340829.db2.gz WMSBAXDDXYPARS-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM O=C(Nc1cc(Cl)ccc1F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136731080 1417341856 /nfs/dbraw/zinc/34/18/56/1417341856.db2.gz YPSANXSXYJCJSF-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM COc1cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc(OC)c1[O-] ZINC000136933397 1417356287 /nfs/dbraw/zinc/35/62/87/1417356287.db2.gz KJTMGIXVZIXJJV-UHFFFAOYSA-N -1 3 381.432 3.306 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3OCCc4ccccc43)c2)n1 ZINC000137485306 1417388103 /nfs/dbraw/zinc/38/81/03/1417388103.db2.gz CNBWGKDMDVEKSJ-HXUWFJFHSA-N -1 3 375.428 3.252 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCCC1)c1ccc(Br)s1 ZINC000137677898 1417392551 /nfs/dbraw/zinc/39/25/51/1417392551.db2.gz YWURDPYQQACDLJ-LLVKDONJSA-N -1 3 382.345 3.120 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000178847169 1429194208 /nfs/dbraw/zinc/19/42/08/1429194208.db2.gz VOSJLTRJNFPNFN-UHFFFAOYSA-N -1 3 387.379 3.104 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000146930965 1417734920 /nfs/dbraw/zinc/73/49/20/1417734920.db2.gz GGELTQIDVVJVIY-QGZVFWFLSA-N -1 3 395.371 3.041 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000149663995 1417778674 /nfs/dbraw/zinc/77/86/74/1417778674.db2.gz ACLXXWLFNWAGHE-IAGOWNOFSA-N -1 3 389.883 3.340 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000149963447 1417783031 /nfs/dbraw/zinc/78/30/31/1417783031.db2.gz SWYIBHDSTISKBX-UHFFFAOYSA-N -1 3 394.475 3.246 20 0 GGADHM COc1ccc(-n2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)n2)cc1 ZINC000150150803 1417785819 /nfs/dbraw/zinc/78/58/19/1417785819.db2.gz WQQJBQVMFMFWQO-OAHLLOKOSA-N -1 3 394.818 3.495 20 0 GGADHM COc1ccc(-n2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)n2)cc1 ZINC000150151028 1417785908 /nfs/dbraw/zinc/78/59/08/1417785908.db2.gz WQQJBQVMFMFWQO-HNNXBMFYSA-N -1 3 394.818 3.495 20 0 GGADHM COC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)C ZINC000150747480 1417797036 /nfs/dbraw/zinc/79/70/36/1417797036.db2.gz KURVWYLFTTUXJR-SFHVURJKSA-N -1 3 394.468 3.027 20 0 GGADHM COC(=O)Nc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C(F)(F)F)c1 ZINC000150757746 1417801087 /nfs/dbraw/zinc/80/10/87/1417801087.db2.gz LWDCYJRJJNCLNT-UHFFFAOYSA-N -1 3 397.235 3.273 20 0 GGADHM COC(=O)Nc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C(F)(F)F)c1 ZINC000150757746 1417801092 /nfs/dbraw/zinc/80/10/92/1417801092.db2.gz LWDCYJRJJNCLNT-UHFFFAOYSA-N -1 3 397.235 3.273 20 0 GGADHM CN(C(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1)c1ccccc1 ZINC000150847352 1417819811 /nfs/dbraw/zinc/81/98/11/1417819811.db2.gz BVYMNRPAQWVOJK-IBGZPJMESA-N -1 3 388.489 3.274 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150851198 1417820407 /nfs/dbraw/zinc/82/04/07/1417820407.db2.gz AQGHNEWHIBKBHW-WMZOPIPTSA-N -1 3 394.537 3.320 20 0 GGADHM CCn1ccnc1[C@H](CCc1ccccc1)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000151045751 1417861238 /nfs/dbraw/zinc/86/12/38/1417861238.db2.gz JKHXFEKCOLSDHI-IBGZPJMESA-N -1 3 394.475 3.063 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(OC)cccc3OC)c2)n1 ZINC000151073973 1417867453 /nfs/dbraw/zinc/86/74/53/1417867453.db2.gz BAHZCGQTBZOFFT-UHFFFAOYSA-N -1 3 379.416 3.269 20 0 GGADHM CC[C@H](C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)N(C)C ZINC000151082378 1417869178 /nfs/dbraw/zinc/86/91/78/1417869178.db2.gz UCAJFWGPONURGO-GOSISDBHSA-N -1 3 375.494 3.075 20 0 GGADHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(C)C[C@H]2C(C)C)cc1 ZINC000151272005 1417910355 /nfs/dbraw/zinc/91/03/55/1417910355.db2.gz YZPVDMSWMDKPSI-KRWDZBQOSA-N -1 3 387.553 3.105 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000151388626 1417945176 /nfs/dbraw/zinc/94/51/76/1417945176.db2.gz KCOUZIHSMDYCKW-IBGZPJMESA-N -1 3 384.476 3.252 20 0 GGADHM CC[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(OC)cc1 ZINC000178944394 1429226247 /nfs/dbraw/zinc/22/62/47/1429226247.db2.gz FTTMALAPUKPRFS-QGZVFWFLSA-N -1 3 396.487 3.269 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1F ZINC000178944191 1429226648 /nfs/dbraw/zinc/22/66/48/1429226648.db2.gz DYCLCHYMTLQCQP-AWEZNQCLSA-N -1 3 388.414 3.149 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000151509789 1418008488 /nfs/dbraw/zinc/00/84/88/1418008488.db2.gz NNAYMYCDSLTRGL-UHFFFAOYSA-N -1 3 384.329 3.281 20 0 GGADHM O=C(COc1ccc2c(c1)CCC2)NCc1ccc([O-])c(Br)c1 ZINC000151550608 1418021671 /nfs/dbraw/zinc/02/16/71/1418021671.db2.gz LAYALIWFZSMXIQ-UHFFFAOYSA-N -1 3 376.250 3.339 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2)c1ncc(-c2ccccc2)o1 ZINC000151570899 1418028104 /nfs/dbraw/zinc/02/81/04/1418028104.db2.gz DDGXKSQKBLYHMR-GFCCVEGCSA-N -1 3 384.413 3.052 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(N2CCOC2=O)cc1 ZINC000151572736 1418028802 /nfs/dbraw/zinc/02/88/02/1418028802.db2.gz DJDJYXFOVGEDBS-UHFFFAOYSA-N -1 3 391.221 3.041 20 0 GGADHM COC(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151592628 1418034196 /nfs/dbraw/zinc/03/41/96/1418034196.db2.gz IZIOWPHRGPGVNQ-UHFFFAOYSA-N -1 3 379.210 3.263 20 0 GGADHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151608287 1418039343 /nfs/dbraw/zinc/03/93/43/1418039343.db2.gz VFXYOHRSORHINX-LBPRGKRZSA-N -1 3 387.274 3.074 20 0 GGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000151718837 1418070312 /nfs/dbraw/zinc/07/03/12/1418070312.db2.gz ZDNVDKSOTXHOSY-AWEZNQCLSA-N -1 3 382.851 3.166 20 0 GGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000151718900 1418070753 /nfs/dbraw/zinc/07/07/53/1418070753.db2.gz ZDNVDKSOTXHOSY-CQSZACIVSA-N -1 3 382.851 3.166 20 0 GGADHM CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000152057920 1418133067 /nfs/dbraw/zinc/13/30/67/1418133067.db2.gz ZYKDUGQNLPOVEL-HXUWFJFHSA-N -1 3 380.488 3.118 20 0 GGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000152134793 1418153914 /nfs/dbraw/zinc/15/39/14/1418153914.db2.gz XWKBRRMIYNGMCT-SFHVURJKSA-N -1 3 375.490 3.059 20 0 GGADHM CCc1nnc([N-]C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)s1 ZINC000152261093 1418187850 /nfs/dbraw/zinc/18/78/50/1418187850.db2.gz IWOFHCBGYPVTPW-UHFFFAOYSA-N -1 3 380.278 3.063 20 0 GGADHM O=C(C=Cc1ccccc1OCC1CCCCC1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179046867 1429249895 /nfs/dbraw/zinc/24/98/95/1429249895.db2.gz JHOMPBBZOOOSNT-ZHACJKMWSA-N -1 3 393.487 3.327 20 0 GGADHM O=C([C@@H](Sc1ccccc1F)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179094235 1429260410 /nfs/dbraw/zinc/26/04/10/1429260410.db2.gz DDVCPYNCZOATGY-IBGZPJMESA-N -1 3 395.459 3.327 20 0 GGADHM CCc1ccccc1O[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccccc1 ZINC000179094272 1429260439 /nfs/dbraw/zinc/26/04/39/1429260439.db2.gz AERAFWYZEUJRLF-NRFANRHFSA-N -1 3 389.455 3.037 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCCC2=O)c1 ZINC000820412836 1429262546 /nfs/dbraw/zinc/26/25/46/1429262546.db2.gz MQZJMGNHBBVFFH-LSDHHAIUSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCCC2=O)c1 ZINC000820412836 1429262550 /nfs/dbraw/zinc/26/25/50/1429262550.db2.gz MQZJMGNHBBVFFH-LSDHHAIUSA-N -1 3 376.464 3.405 20 0 GGADHM Cc1cccc(C2(NCC(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737389094 1429266085 /nfs/dbraw/zinc/26/60/85/1429266085.db2.gz ILSSQRQMHFFVBD-UHFFFAOYSA-N -1 3 376.464 3.173 20 0 GGADHM Cc1cccc(C2(NCC(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737389094 1429266088 /nfs/dbraw/zinc/26/60/88/1429266088.db2.gz ILSSQRQMHFFVBD-UHFFFAOYSA-N -1 3 376.464 3.173 20 0 GGADHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000179132203 1429272468 /nfs/dbraw/zinc/27/24/68/1429272468.db2.gz WOPJKBYIYXUCCA-AAEUAGOBSA-N -1 3 389.304 3.221 20 0 GGADHM O[C@H](CNC1(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681275 1429278684 /nfs/dbraw/zinc/27/86/84/1429278684.db2.gz CVLNZUQBEOKBPV-MRXNPFEDSA-N -1 3 390.274 3.486 20 0 GGADHM O[C@H](CNC1(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681275 1429278690 /nfs/dbraw/zinc/27/86/90/1429278690.db2.gz CVLNZUQBEOKBPV-MRXNPFEDSA-N -1 3 390.274 3.486 20 0 GGADHM CCCNC(=O)c1cccc(CN[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825331859 1429281428 /nfs/dbraw/zinc/28/14/28/1429281428.db2.gz AQQMVHQAMPCOOD-HXUWFJFHSA-N -1 3 390.491 3.174 20 0 GGADHM CCCNC(=O)c1cccc(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825331859 1429281431 /nfs/dbraw/zinc/28/14/31/1429281431.db2.gz AQQMVHQAMPCOOD-HXUWFJFHSA-N -1 3 390.491 3.174 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820668329 1429321356 /nfs/dbraw/zinc/32/13/56/1429321356.db2.gz RPYWTGOESSJTTH-RDTXWAMCSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668329 1429321362 /nfs/dbraw/zinc/32/13/62/1429321362.db2.gz RPYWTGOESSJTTH-RDTXWAMCSA-N -1 3 387.447 3.295 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1C ZINC000179310175 1429324174 /nfs/dbraw/zinc/32/41/74/1429324174.db2.gz VICGGHQFGXOOGS-XIKOKIGWSA-N -1 3 377.437 3.214 20 0 GGADHM C[C@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824570630 1429324992 /nfs/dbraw/zinc/32/49/92/1429324992.db2.gz NVPRIPDMIRMWLK-MGPLVRAMSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824570630 1429324994 /nfs/dbraw/zinc/32/49/94/1429324994.db2.gz NVPRIPDMIRMWLK-MGPLVRAMSA-N -1 3 395.360 3.409 20 0 GGADHM CC[C@H]1c2ccccc2CCN1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736413519 1429349263 /nfs/dbraw/zinc/34/92/63/1429349263.db2.gz ZLIPDMYXTYOJLO-SFHVURJKSA-N -1 3 379.464 3.264 20 0 GGADHM O=C(Nc1ccc(-n2cncn2)nc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000179383547 1429352922 /nfs/dbraw/zinc/35/29/22/1429352922.db2.gz OHVOLDOXKZBFQW-UHFFFAOYSA-N -1 3 387.399 3.199 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)cc2C)c1 ZINC000179417896 1429366653 /nfs/dbraw/zinc/36/66/53/1429366653.db2.gz GGLNPAXCOCUFPJ-UHFFFAOYSA-N -1 3 379.416 3.488 20 0 GGADHM Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000179418670 1429367077 /nfs/dbraw/zinc/36/70/77/1429367077.db2.gz ZUPVUQKQGXFNPN-OAHLLOKOSA-N -1 3 378.432 3.333 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000179451240 1429380893 /nfs/dbraw/zinc/38/08/93/1429380893.db2.gz PWNGTLYBVAPQMN-GOSISDBHSA-N -1 3 395.390 3.497 20 0 GGADHM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1ccnc(OC2CCC2)c1 ZINC000179461081 1429383512 /nfs/dbraw/zinc/38/35/12/1429383512.db2.gz QHMGWPDGHUEFHF-UHFFFAOYSA-N -1 3 396.472 3.047 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccnc2)c1 ZINC000179460428 1429383537 /nfs/dbraw/zinc/38/35/37/1429383537.db2.gz YZDDFYKGEKGDSK-LBPRGKRZSA-N -1 3 380.404 3.169 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000179464500 1429385177 /nfs/dbraw/zinc/38/51/77/1429385177.db2.gz QNBDHCYSYWHPTG-MRXNPFEDSA-N -1 3 395.419 3.031 20 0 GGADHM CCCCNc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179496246 1429395155 /nfs/dbraw/zinc/39/51/55/1429395155.db2.gz QCVLXULNGREJNC-UHFFFAOYSA-N -1 3 381.476 3.202 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCc2cccn2C)c1 ZINC000179520386 1429407700 /nfs/dbraw/zinc/40/77/00/1429407700.db2.gz JBVMUPCTELZUSF-ZDUSSCGKSA-N -1 3 396.447 3.031 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000179533141 1429413808 /nfs/dbraw/zinc/41/38/08/1429413808.db2.gz JZHFMMZGXODORU-UHFFFAOYSA-N -1 3 383.376 3.319 20 0 GGADHM Cc1c([O-])ccc2c(CN[C@@H](CN3CCCC3=O)c3ccccc3)cc(=O)oc12 ZINC000179557718 1429430928 /nfs/dbraw/zinc/43/09/28/1429430928.db2.gz RKWMFZYSRDBIIS-IBGZPJMESA-N -1 3 392.455 3.260 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(C(=O)c3ccccc3[O-])CC1)CCC2 ZINC000179562623 1429434708 /nfs/dbraw/zinc/43/47/08/1429434708.db2.gz HJRPKXLMZFTNPD-HXUWFJFHSA-N -1 3 393.487 3.246 20 0 GGADHM O=C(Nc1cccc(-n2cccc2)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179562179 1429434801 /nfs/dbraw/zinc/43/48/01/1429434801.db2.gz MABOQGJHBGJTMI-UHFFFAOYSA-N -1 3 390.443 3.173 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000179641506 1429485674 /nfs/dbraw/zinc/48/56/74/1429485674.db2.gz XKCFPGNEMORPGS-KRWDZBQOSA-N -1 3 382.460 3.121 20 0 GGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179651765 1429490012 /nfs/dbraw/zinc/49/00/12/1429490012.db2.gz WSAZARNKOMUOHX-KKSFZXQISA-N -1 3 393.487 3.183 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000179651963 1429490915 /nfs/dbraw/zinc/49/09/15/1429490915.db2.gz MFHHRVUWSJKCSI-AWEZNQCLSA-N -1 3 394.349 3.376 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)NN=c1ccc(Cl)n[n-]1 ZINC000179715817 1429519325 /nfs/dbraw/zinc/51/93/25/1429519325.db2.gz AWFSVVIPTITWGL-UHFFFAOYSA-N -1 3 390.658 3.280 20 0 GGADHM CCc1nn(C)cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000179724826 1429523535 /nfs/dbraw/zinc/52/35/35/1429523535.db2.gz ZZHDJAGFHZVDNI-UHFFFAOYSA-N -1 3 398.488 3.344 20 0 GGADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000152366423 1422084766 /nfs/dbraw/zinc/08/47/66/1422084766.db2.gz XPLHPOSDMRNPOX-GFCCVEGCSA-N -1 3 390.182 3.389 20 0 GGADHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[N-]OCc1cccnc1 ZINC000152418491 1422098013 /nfs/dbraw/zinc/09/80/13/1422098013.db2.gz BPTXQBLAFVRGPC-UHFFFAOYSA-N -1 3 375.432 3.075 20 0 GGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000179738065 1429530449 /nfs/dbraw/zinc/53/04/49/1429530449.db2.gz OCOBASPDFFJEJE-UHFFFAOYSA-N -1 3 394.468 3.250 20 0 GGADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(/C=C/c4ccco4)s3)nn2)cc1 ZINC000152522472 1422130410 /nfs/dbraw/zinc/13/04/10/1422130410.db2.gz MQIWBTWOYBERCN-CMDGGOBGSA-N -1 3 378.417 3.443 20 0 GGADHM c1cn2c(cccc2CNCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826519070 1429529221 /nfs/dbraw/zinc/52/92/21/1429529221.db2.gz ISJIYXXTLIELCE-UHFFFAOYSA-N -1 3 381.443 3.471 20 0 GGADHM c1cn2c(cccc2CNCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826519070 1429529224 /nfs/dbraw/zinc/52/92/24/1429529224.db2.gz ISJIYXXTLIELCE-UHFFFAOYSA-N -1 3 381.443 3.471 20 0 GGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cn(Cc2cccc(F)c2)nn1 ZINC000152632295 1422179200 /nfs/dbraw/zinc/17/92/00/1422179200.db2.gz CUTGUTQJSDVKCA-VOTSOKGWSA-N -1 3 396.407 3.333 20 0 GGADHM CC1(C)CCCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1 ZINC000152644078 1422185638 /nfs/dbraw/zinc/18/56/38/1422185638.db2.gz AUKIFEVZFLOGSP-UHFFFAOYSA-N -1 3 386.464 3.058 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCO[C@H](C)C4)cc3)c[n-]c12 ZINC000152648033 1422187897 /nfs/dbraw/zinc/18/78/97/1422187897.db2.gz FDFQSIGNOBSZRV-CQSZACIVSA-N -1 3 395.434 3.453 20 0 GGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCC(C)(C)CC1 ZINC000152659643 1422194045 /nfs/dbraw/zinc/19/40/45/1422194045.db2.gz YXSFBZXTXPAOKZ-UHFFFAOYSA-N -1 3 382.501 3.307 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4cc(C)ccc4C)CC3)nc2)n1 ZINC000152689066 1422210882 /nfs/dbraw/zinc/21/08/82/1422210882.db2.gz PHVSEHMMASGOSD-UHFFFAOYSA-N -1 3 389.503 3.338 20 0 GGADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)[N-]OCc1cccnc1 ZINC000152714147 1422220490 /nfs/dbraw/zinc/22/04/90/1422220490.db2.gz VRIBDXFGXBYVGQ-UHFFFAOYSA-N -1 3 378.476 3.432 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(F)c1F ZINC000152799382 1422252776 /nfs/dbraw/zinc/25/27/76/1422252776.db2.gz ZRPJZQXSKVAEIH-JTQLQIEISA-N -1 3 398.406 3.036 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCOC[C@@H]4C)cc3)c[n-]c12 ZINC000152983606 1422316742 /nfs/dbraw/zinc/31/67/42/1422316742.db2.gz ABCMIXNQWXDMGJ-AWEZNQCLSA-N -1 3 395.434 3.453 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NCCNC(=O)c2ccc([O-])cc2)C(F)(F)F)c1 ZINC000153008106 1422323835 /nfs/dbraw/zinc/32/38/35/1422323835.db2.gz QXNMHYLQBMKLSV-MRXNPFEDSA-N -1 3 395.381 3.033 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(=O)[n-]1 ZINC000153083614 1422351066 /nfs/dbraw/zinc/35/10/66/1422351066.db2.gz HUCBLZKSLHOKDC-QGZVFWFLSA-N -1 3 381.398 3.462 20 0 GGADHM CC(C)OCc1c2ccccc2oc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000153097222 1422355598 /nfs/dbraw/zinc/35/55/98/1422355598.db2.gz KCGBLPFDQVGHBE-UHFFFAOYSA-N -1 3 396.443 3.223 20 0 GGADHM CCCCN(CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000179767922 1429550371 /nfs/dbraw/zinc/55/03/71/1429550371.db2.gz INXZXIPATPCEMX-UHFFFAOYSA-N -1 3 394.107 3.005 20 0 GGADHM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)ccc21 ZINC000179768306 1429550513 /nfs/dbraw/zinc/55/05/13/1429550513.db2.gz UFZSAMASDGUDBY-UHFFFAOYSA-N -1 3 386.473 3.112 20 0 GGADHM CC(C)[NH+]1CCC(C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CC1 ZINC000824297325 1429554947 /nfs/dbraw/zinc/55/49/47/1429554947.db2.gz SZSZPQVUEISVMH-UHFFFAOYSA-N -1 3 397.508 3.049 20 0 GGADHM CC(C)[NH+]1CCC(C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CC1 ZINC000824297325 1429554949 /nfs/dbraw/zinc/55/49/49/1429554949.db2.gz SZSZPQVUEISVMH-UHFFFAOYSA-N -1 3 397.508 3.049 20 0 GGADHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000153189107 1422386388 /nfs/dbraw/zinc/38/63/88/1422386388.db2.gz IJDDDNSLBUOJNC-UHFFFAOYSA-N -1 3 393.365 3.446 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000153247588 1422415970 /nfs/dbraw/zinc/41/59/70/1422415970.db2.gz PHLZZFPUBPCVCS-LSTHTHJFSA-N -1 3 393.487 3.414 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000153255254 1422421488 /nfs/dbraw/zinc/42/14/88/1422421488.db2.gz PAZOXBMQEBYPMR-UHFFFAOYSA-N -1 3 390.871 3.350 20 0 GGADHM Cc1cc(I)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000153265229 1422427136 /nfs/dbraw/zinc/42/71/36/1422427136.db2.gz AFJJGSXZNQUAEC-GFCCVEGCSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1cc(I)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000153265229 1422427138 /nfs/dbraw/zinc/42/71/38/1422427138.db2.gz AFJJGSXZNQUAEC-GFCCVEGCSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1cc(I)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000153265346 1422427789 /nfs/dbraw/zinc/42/77/89/1422427789.db2.gz AFJJGSXZNQUAEC-LBPRGKRZSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1cc(I)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000153265346 1422427796 /nfs/dbraw/zinc/42/77/96/1422427796.db2.gz AFJJGSXZNQUAEC-LBPRGKRZSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(-c3ncco3)ccc2C)c([O-])c1 ZINC000153359050 1422492301 /nfs/dbraw/zinc/49/23/01/1422492301.db2.gz RIGDYXFVHKAUIU-UHFFFAOYSA-N -1 3 379.416 3.423 20 0 GGADHM COc1cccc(C=C2CCN(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821863524 1429562960 /nfs/dbraw/zinc/56/29/60/1429562960.db2.gz MORLDGYPXAZOIK-NRFANRHFSA-N -1 3 391.475 3.088 20 0 GGADHM COc1cccc(C=C2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821863524 1429562967 /nfs/dbraw/zinc/56/29/67/1429562967.db2.gz MORLDGYPXAZOIK-NRFANRHFSA-N -1 3 391.475 3.088 20 0 GGADHM CC[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825043642 1429564338 /nfs/dbraw/zinc/56/43/38/1429564338.db2.gz IHTORWLUDSOXLC-LJQANCHMSA-N -1 3 384.509 3.399 20 0 GGADHM CC[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825043642 1429564340 /nfs/dbraw/zinc/56/43/40/1429564340.db2.gz IHTORWLUDSOXLC-LJQANCHMSA-N -1 3 384.509 3.399 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCn4nc(C(C)C)nc43)nc2)n1 ZINC000153420455 1422525401 /nfs/dbraw/zinc/52/54/01/1422525401.db2.gz RHWFHWQVCNHVSF-HNNXBMFYSA-N -1 3 379.468 3.056 20 0 GGADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000153449886 1422542587 /nfs/dbraw/zinc/54/25/87/1422542587.db2.gz LSPGGMZYZHYQMX-GOSISDBHSA-N -1 3 395.846 3.420 20 0 GGADHM Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccccc1NCCc1ccc(Cl)cc1 ZINC000153475317 1422557240 /nfs/dbraw/zinc/55/72/40/1422557240.db2.gz NYSIAQZXZHSNQP-UHFFFAOYSA-N -1 3 397.866 3.101 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NOCC(C)C ZINC000153539022 1422595905 /nfs/dbraw/zinc/59/59/05/1422595905.db2.gz ZWSGHHIEZZHNIR-UHFFFAOYSA-N -1 3 380.441 3.252 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1O ZINC000179804051 1429577349 /nfs/dbraw/zinc/57/73/49/1429577349.db2.gz INPQETWIUKIHIP-UHFFFAOYSA-N -1 3 398.850 3.379 20 0 GGADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)NCCCc1ccccc1 ZINC000153713333 1422716384 /nfs/dbraw/zinc/71/63/84/1422716384.db2.gz WPPLDPGLOKSGFG-UHFFFAOYSA-N -1 3 376.456 3.179 20 0 GGADHM Cc1nccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1Cl ZINC000153911024 1422809455 /nfs/dbraw/zinc/80/94/55/1422809455.db2.gz BXWVOGKGAGFCIO-UHFFFAOYSA-N -1 3 385.848 3.122 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000153949841 1422815549 /nfs/dbraw/zinc/81/55/49/1422815549.db2.gz FRYWTCNMQOQVST-OAHLLOKOSA-N -1 3 395.349 3.170 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000153956656 1422816854 /nfs/dbraw/zinc/81/68/54/1422816854.db2.gz LMMHDPADNRGYKR-ZDUSSCGKSA-N -1 3 398.290 3.146 20 0 GGADHM O=c1nc(CN2CC[C@H](Oc3ccncc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000154028212 1422828189 /nfs/dbraw/zinc/82/81/89/1422828189.db2.gz KCJKBJCFLLPUSU-AWEZNQCLSA-N -1 3 394.456 3.293 20 0 GGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000154056819 1422832960 /nfs/dbraw/zinc/83/29/60/1422832960.db2.gz USCGIXLOWQYPIF-UHFFFAOYSA-N -1 3 384.505 3.102 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@@H](O)c3ccc(F)cc3)nc2)n1 ZINC000154157816 1422848180 /nfs/dbraw/zinc/84/81/80/1422848180.db2.gz QAZNEDZFVGAHAT-FZKQIMNGSA-N -1 3 382.439 3.458 20 0 GGADHM CCO[C@@H](C)c1nc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cs1 ZINC000154262382 1422863456 /nfs/dbraw/zinc/86/34/56/1422863456.db2.gz IBYAPGZFVLRCIF-LBPRGKRZSA-N -1 3 398.554 3.455 20 0 GGADHM CCO[C@@H](C)c1nc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cs1 ZINC000154262382 1422863457 /nfs/dbraw/zinc/86/34/57/1422863457.db2.gz IBYAPGZFVLRCIF-LBPRGKRZSA-N -1 3 398.554 3.455 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CC=CC3)c2)cc1 ZINC000154263049 1422863512 /nfs/dbraw/zinc/86/35/12/1422863512.db2.gz WQMWQTIGFFRIPZ-UHFFFAOYSA-N -1 3 386.473 3.253 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCNC(=O)C3CCCCC3)c2)n1 ZINC000154322640 1422872651 /nfs/dbraw/zinc/87/26/51/1422872651.db2.gz JRIDSQSFMMRNLD-UHFFFAOYSA-N -1 3 396.491 3.024 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccco1 ZINC000154371330 1422879662 /nfs/dbraw/zinc/87/96/62/1422879662.db2.gz BZJYRCVUUKXULP-SFHVURJKSA-N -1 3 375.450 3.134 20 0 GGADHM COCCS(=O)(=O)[N-]c1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000154452374 1422890435 /nfs/dbraw/zinc/89/04/35/1422890435.db2.gz QUTZODGIZIJYHO-UHFFFAOYSA-N -1 3 394.346 3.420 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](O)c3cccc(F)c3)c2)n1 ZINC000154530131 1422904655 /nfs/dbraw/zinc/90/46/55/1422904655.db2.gz KNHGCYRTKIUXCM-SFHVURJKSA-N -1 3 381.407 3.201 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)c3c(C)n[nH]c3C)c2)n1 ZINC000154530443 1422905883 /nfs/dbraw/zinc/90/58/83/1422905883.db2.gz ATQXXZPBPOCELX-LBPRGKRZSA-N -1 3 379.464 3.472 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)cc1 ZINC000154548356 1422920854 /nfs/dbraw/zinc/92/08/54/1422920854.db2.gz QILHHZKIIDKIAP-AWEZNQCLSA-N -1 3 378.519 3.434 20 0 GGADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)Nc1ccnn1C1CCCC1 ZINC000154563721 1422934275 /nfs/dbraw/zinc/93/42/75/1422934275.db2.gz SSKFVXJUHNKANG-UHFFFAOYSA-N -1 3 392.459 3.380 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000154578962 1422941432 /nfs/dbraw/zinc/94/14/32/1422941432.db2.gz MNJNPPKMEZOJLI-LJQANCHMSA-N -1 3 392.434 3.186 20 0 GGADHM CSc1nc(C)c(CCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c(=O)[n-]1 ZINC000179836463 1429603366 /nfs/dbraw/zinc/60/33/66/1429603366.db2.gz QDLPZOABYVTVQA-UHFFFAOYSA-N -1 3 393.419 3.185 20 0 GGADHM C[C@H](Cc1ccccc1Cl)C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000154674222 1422996988 /nfs/dbraw/zinc/99/69/88/1422996988.db2.gz XDYTZZURQXMGDF-CQSZACIVSA-N -1 3 382.851 3.166 20 0 GGADHM O=C(CCSc1ccc(F)cc1)N[N-]C(=O)c1cc(Cl)nc(Cl)c1 ZINC000154697312 1423004016 /nfs/dbraw/zinc/00/40/16/1423004016.db2.gz WFMARCNQFBQOAV-UHFFFAOYSA-N -1 3 388.251 3.471 20 0 GGADHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c([O-])c1 ZINC000154704003 1423007009 /nfs/dbraw/zinc/00/70/09/1423007009.db2.gz MYNYEPARTBUHLO-UHFFFAOYSA-N -1 3 376.478 3.338 20 0 GGADHM C[C@H]1CN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCS1 ZINC000824984546 1429610805 /nfs/dbraw/zinc/61/08/05/1429610805.db2.gz LHEAYCRQODIGOJ-HNNXBMFYSA-N -1 3 381.505 3.383 20 0 GGADHM C[C@H]1CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCS1 ZINC000824984546 1429610812 /nfs/dbraw/zinc/61/08/12/1429610812.db2.gz LHEAYCRQODIGOJ-HNNXBMFYSA-N -1 3 381.505 3.383 20 0 GGADHM CC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1cc(F)ccc1F ZINC000155020287 1423119999 /nfs/dbraw/zinc/11/99/99/1423119999.db2.gz JAGVHPLSZDUOOE-SFHVURJKSA-N -1 3 398.413 3.229 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000155135122 1423189316 /nfs/dbraw/zinc/18/93/16/1423189316.db2.gz AWVQAXIAIYWWDM-YADHBBJMSA-N -1 3 381.472 3.197 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000155134904 1423189699 /nfs/dbraw/zinc/18/96/99/1423189699.db2.gz AWVQAXIAIYWWDM-VXKWHMMOSA-N -1 3 381.472 3.197 20 0 GGADHM O=C(NCc1ccccc1CN1CCC(O)CC1)c1cc(F)cc(Cl)c1[O-] ZINC000155146091 1423195781 /nfs/dbraw/zinc/19/57/81/1423195781.db2.gz UCNVEWXEXHWECZ-UHFFFAOYSA-N -1 3 392.858 3.071 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(F)cc2)n1 ZINC000179879358 1429621355 /nfs/dbraw/zinc/62/13/55/1429621355.db2.gz TZFODQJTVIQKNT-INIZCTEOSA-N -1 3 392.390 3.290 20 0 GGADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]C2CCCCCCC2)c(Cl)s1 ZINC000179896444 1429629573 /nfs/dbraw/zinc/62/95/73/1429629573.db2.gz NGPZGGGZDRZGOP-UHFFFAOYSA-N -1 3 385.960 3.196 20 0 GGADHM C[C@H](c1nc(-c2ccccc2)no1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155284911 1423299938 /nfs/dbraw/zinc/29/99/38/1423299938.db2.gz NQBJGILAORHHAU-IQSLBTHBSA-N -1 3 398.366 3.261 20 0 GGADHM C[C@@H](c1nc(-c2ccccc2)no1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155285020 1423300006 /nfs/dbraw/zinc/30/00/06/1423300006.db2.gz NQBJGILAORHHAU-RWXBIINUSA-N -1 3 398.366 3.261 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)c1noc(C)n1 ZINC000155337265 1423322274 /nfs/dbraw/zinc/32/22/74/1423322274.db2.gz AOPPRUCBFLOQCK-NSHDSACASA-N -1 3 394.678 3.224 20 0 GGADHM CC[C@@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000825044103 1423324290 /nfs/dbraw/zinc/32/42/90/1423324290.db2.gz OAJMXJNSBBGRBG-LJQANCHMSA-N -1 3 384.871 3.374 20 0 GGADHM CC[C@@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000825044103 1423324296 /nfs/dbraw/zinc/32/42/96/1423324296.db2.gz OAJMXJNSBBGRBG-LJQANCHMSA-N -1 3 384.871 3.374 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cc(-c3ccccc3)on2)[n-]1 ZINC000155343655 1423326521 /nfs/dbraw/zinc/32/65/21/1423326521.db2.gz YWXCCGJQQHSBBJ-AREMUKBSSA-N -1 3 383.351 3.305 20 0 GGADHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179905659 1429633851 /nfs/dbraw/zinc/63/38/51/1429633851.db2.gz MJDBQQUOVZSKKJ-JTQLQIEISA-N -1 3 387.976 3.442 20 0 GGADHM COc1ccc(C[C@@H](C)CNC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000155567402 1423422907 /nfs/dbraw/zinc/42/29/07/1423422907.db2.gz PIVBFBVRRMKLCE-CQSZACIVSA-N -1 3 380.444 3.154 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000155720936 1423504698 /nfs/dbraw/zinc/50/46/98/1423504698.db2.gz QNLQWBUAFDLQQD-CYBMUJFWSA-N -1 3 397.504 3.005 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000155720936 1423504707 /nfs/dbraw/zinc/50/47/07/1423504707.db2.gz QNLQWBUAFDLQQD-CYBMUJFWSA-N -1 3 397.504 3.005 20 0 GGADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cnc1Cl ZINC000155765002 1423523406 /nfs/dbraw/zinc/52/34/06/1423523406.db2.gz AUZNLXHAHFSNRU-UHFFFAOYSA-N -1 3 385.848 3.122 20 0 GGADHM C[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N1CCN(C)CC1 ZINC000179934778 1429650227 /nfs/dbraw/zinc/65/02/27/1429650227.db2.gz DRBOPPMPYSUSJG-CQSZACIVSA-N -1 3 396.516 3.243 20 0 GGADHM CCC[C@@H](NC(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179935321 1429650334 /nfs/dbraw/zinc/65/03/34/1429650334.db2.gz SMTRWODIZKJYCR-CQSZACIVSA-N -1 3 384.461 3.444 20 0 GGADHM COCCOc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1F ZINC000155799303 1423539143 /nfs/dbraw/zinc/53/91/43/1423539143.db2.gz CXUWMVZKPGYDKF-UHFFFAOYSA-N -1 3 388.370 3.392 20 0 GGADHM CC1CCC(C)([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000179936793 1429651341 /nfs/dbraw/zinc/65/13/41/1429651341.db2.gz ITYRJOBOOARQQC-UHFFFAOYSA-N -1 3 385.960 3.052 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cccc(O)c2)ccc1F ZINC000155848222 1423559947 /nfs/dbraw/zinc/55/99/47/1423559947.db2.gz DFAXNVCMEQSJII-CYBMUJFWSA-N -1 3 394.468 3.051 20 0 GGADHM CCc1cc2c(CN3CCCN(CC(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000155915078 1423593306 /nfs/dbraw/zinc/59/33/06/1423593306.db2.gz YTHKXGSZZYVNNA-UHFFFAOYSA-N -1 3 384.398 3.131 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1cn(-c2ccccc2)nn1 ZINC000155964353 1423612306 /nfs/dbraw/zinc/61/23/06/1423612306.db2.gz ZYJBBCBSWTVNBA-UHFFFAOYSA-N -1 3 397.287 3.194 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000156037543 1423644747 /nfs/dbraw/zinc/64/47/47/1423644747.db2.gz QJZRPNZSIPEIQI-UHFFFAOYSA-N -1 3 399.397 3.283 20 0 GGADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cnc(C(F)(F)F)nc1 ZINC000156053379 1423652452 /nfs/dbraw/zinc/65/24/52/1423652452.db2.gz PICYVUMAYORDKD-UHFFFAOYSA-N -1 3 383.330 3.329 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CCCCC1 ZINC000179961451 1429664470 /nfs/dbraw/zinc/66/44/70/1429664470.db2.gz MDQDNHCTUUZGCP-VIFPVBQESA-N -1 3 385.960 3.052 20 0 GGADHM C[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000736024876 1423727463 /nfs/dbraw/zinc/72/74/63/1423727463.db2.gz AULMTHBHONUSFI-OAHLLOKOSA-N -1 3 397.914 3.143 20 0 GGADHM C[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000736024876 1423727468 /nfs/dbraw/zinc/72/74/68/1423727468.db2.gz AULMTHBHONUSFI-OAHLLOKOSA-N -1 3 397.914 3.143 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000156211284 1423728212 /nfs/dbraw/zinc/72/82/12/1423728212.db2.gz CPFNVOQBQVPEDJ-RBUKOAKNSA-N -1 3 399.878 3.069 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000156223598 1423733874 /nfs/dbraw/zinc/73/38/74/1423733874.db2.gz QSRXIAOWQLZZTA-CQSZACIVSA-N -1 3 389.402 3.231 20 0 GGADHM CC(C)CC1(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCC1 ZINC000179970839 1429668479 /nfs/dbraw/zinc/66/84/79/1429668479.db2.gz ZKLVOIWVZXBLOZ-UHFFFAOYSA-N -1 3 399.987 3.300 20 0 GGADHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179971273 1429668694 /nfs/dbraw/zinc/66/86/94/1429668694.db2.gz WTUCGOCVIPGMIE-SNVBAGLBSA-N -1 3 385.960 3.052 20 0 GGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000156387889 1423803470 /nfs/dbraw/zinc/80/34/70/1423803470.db2.gz WPWVMILBKSEDMW-UHFFFAOYSA-N -1 3 378.356 3.100 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(OC(F)F)cc3)nc21 ZINC000156419004 1423808547 /nfs/dbraw/zinc/80/85/47/1423808547.db2.gz LSFFFUZXGZOWQS-UHFFFAOYSA-N -1 3 375.331 3.132 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(C)C ZINC000156457244 1423812853 /nfs/dbraw/zinc/81/28/53/1423812853.db2.gz ZOJCYZULFXKGMQ-HNNXBMFYSA-N -1 3 379.453 3.330 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC000156458158 1423812899 /nfs/dbraw/zinc/81/28/99/1423812899.db2.gz BLBBUTOCBSBWJW-UHFFFAOYSA-N -1 3 387.432 3.287 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000156546670 1423826671 /nfs/dbraw/zinc/82/66/71/1423826671.db2.gz VREJBGXHWAHQGV-MRXNPFEDSA-N -1 3 393.212 3.103 20 0 GGADHM O=C(NCCNC(=O)C1(c2cccc(F)c2)CCCCC1)c1ccc([O-])cc1 ZINC000156549895 1423827026 /nfs/dbraw/zinc/82/70/26/1423827026.db2.gz DVAMDVQXZMIVLE-UHFFFAOYSA-N -1 3 384.451 3.279 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccnc1Br ZINC000156557207 1423827844 /nfs/dbraw/zinc/82/78/44/1423827844.db2.gz YLIHRMMDNXDSOD-UHFFFAOYSA-N -1 3 386.043 3.242 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnn(Cc4ccccc4)c3)c2)n1 ZINC000156594280 1423833528 /nfs/dbraw/zinc/83/35/28/1423833528.db2.gz NCKOOJIZRCSNAN-UHFFFAOYSA-N -1 3 386.411 3.209 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1cc(F)ccc1Br ZINC000156682499 1423847149 /nfs/dbraw/zinc/84/71/49/1423847149.db2.gz ZFWDQHLDAQBNSG-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2cccc(F)c2)c2ccc(Cl)cc2)no1 ZINC000179989118 1429677222 /nfs/dbraw/zinc/67/72/22/1429677222.db2.gz XZFZLUIZDPKVAY-MRXNPFEDSA-N -1 3 395.843 3.380 20 0 GGADHM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2ccc(F)cc2)c2ccc(Cl)cc2)no1 ZINC000179989097 1429677850 /nfs/dbraw/zinc/67/78/50/1429677850.db2.gz KNJAYFRFPRLDEB-INIZCTEOSA-N -1 3 395.843 3.380 20 0 GGADHM O=C(NNc1ccc(Br)cc1F)c1c[n-]c2ccccc2c1=O ZINC000156787508 1423865022 /nfs/dbraw/zinc/86/50/22/1423865022.db2.gz FNKNJKHJUPWKEK-UHFFFAOYSA-N -1 3 376.185 3.187 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1Cl ZINC000156796885 1423866316 /nfs/dbraw/zinc/86/63/16/1423866316.db2.gz GWBPNFKBALXEBN-UHFFFAOYSA-N -1 3 391.836 3.113 20 0 GGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000156808098 1423868203 /nfs/dbraw/zinc/86/82/03/1423868203.db2.gz MLHRIHFDHYMBJS-OAHLLOKOSA-N -1 3 386.879 3.209 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000156814445 1423868699 /nfs/dbraw/zinc/86/86/99/1423868699.db2.gz BPQITOFDTGQNIJ-OAHLLOKOSA-N -1 3 386.879 3.209 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000156811422 1423868708 /nfs/dbraw/zinc/86/87/08/1423868708.db2.gz WVURYIHOPXCLSY-UHFFFAOYSA-N -1 3 385.439 3.167 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3COc4ccc(F)cc4C3)c2)n1 ZINC000156834568 1423872655 /nfs/dbraw/zinc/87/26/55/1423872655.db2.gz TTWFUDNWPSTAJT-OAHLLOKOSA-N -1 3 380.375 3.041 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)ccc1Cl ZINC000156867733 1423877407 /nfs/dbraw/zinc/87/74/07/1423877407.db2.gz DWVNVLJLEIKUBF-UHFFFAOYSA-N -1 3 382.869 3.302 20 0 GGADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000156917514 1423885485 /nfs/dbraw/zinc/88/54/85/1423885485.db2.gz GVYQLKQDGBYPLY-UHFFFAOYSA-N -1 3 390.436 3.350 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)c(F)cc2N1 ZINC000156941101 1423890306 /nfs/dbraw/zinc/89/03/06/1423890306.db2.gz NTTCYZDQYCOBID-UHFFFAOYSA-N -1 3 389.383 3.199 20 0 GGADHM Cc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000156969750 1423895228 /nfs/dbraw/zinc/89/52/28/1423895228.db2.gz SLIGXFGZFPDWJU-UHFFFAOYSA-N -1 3 378.469 3.488 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(C)cc3C)c2)n1 ZINC000157090797 1423923220 /nfs/dbraw/zinc/92/32/20/1423923220.db2.gz NPQRTLHVPHJQOO-UHFFFAOYSA-N -1 3 390.443 3.193 20 0 GGADHM C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824618268 1423926423 /nfs/dbraw/zinc/92/64/23/1423926423.db2.gz OAOYMUXGURDONC-AWEZNQCLSA-N -1 3 381.459 3.242 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)CCc1ccccc1 ZINC000157130142 1423932933 /nfs/dbraw/zinc/93/29/33/1423932933.db2.gz PDYXTLNNPHOSAT-UHFFFAOYSA-N -1 3 379.453 3.302 20 0 GGADHM C[C@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000824538432 1423948101 /nfs/dbraw/zinc/94/81/01/1423948101.db2.gz JBLKNCLRBICAJE-AWEZNQCLSA-N -1 3 390.447 3.163 20 0 GGADHM C[C@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000824538432 1423948103 /nfs/dbraw/zinc/94/81/03/1423948103.db2.gz JBLKNCLRBICAJE-AWEZNQCLSA-N -1 3 390.447 3.163 20 0 GGADHM CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000157235979 1423962317 /nfs/dbraw/zinc/96/23/17/1423962317.db2.gz VEFUTWBGOXINNU-VXKWHMMOSA-N -1 3 395.499 3.375 20 0 GGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000157312015 1423981955 /nfs/dbraw/zinc/98/19/55/1423981955.db2.gz AKJJETUISRCOET-IBGZPJMESA-N -1 3 393.491 3.053 20 0 GGADHM Cc1nc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)sc1C ZINC000157456322 1424014556 /nfs/dbraw/zinc/01/45/56/1424014556.db2.gz MTQZBQHHDXXMOE-UHFFFAOYSA-N -1 3 395.488 3.065 20 0 GGADHM CN(c1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000157481030 1424020517 /nfs/dbraw/zinc/02/05/17/1424020517.db2.gz JQMZUFDQDLCLOT-UHFFFAOYSA-N -1 3 385.439 3.165 20 0 GGADHM O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180012876 1429691901 /nfs/dbraw/zinc/69/19/01/1429691901.db2.gz SAENXEGOHARTST-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1F ZINC000180015623 1429692937 /nfs/dbraw/zinc/69/29/37/1429692937.db2.gz SLSRYDUZKHMJQZ-UHFFFAOYSA-N -1 3 380.416 3.310 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1c(C)noc1C ZINC000157567455 1424039937 /nfs/dbraw/zinc/03/99/37/1424039937.db2.gz CDHQEDKJIBIAGC-SNVBAGLBSA-N -1 3 394.474 3.332 20 0 GGADHM Cc1ccc(OCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000157604360 1424046610 /nfs/dbraw/zinc/04/66/10/1424046610.db2.gz NRDNRWIHSPOBEV-UHFFFAOYSA-N -1 3 396.487 3.153 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCc2c1cccc2Cl ZINC000157659707 1424059347 /nfs/dbraw/zinc/05/93/47/1424059347.db2.gz ADLCQABTMQEMAD-UHFFFAOYSA-N -1 3 394.855 3.123 20 0 GGADHM COc1ccc(C2(CNC(=O)NCc3ccc([O-])c(F)c3)CCOCC2)cc1 ZINC000157673462 1424062256 /nfs/dbraw/zinc/06/22/56/1424062256.db2.gz HEZHHYSVMUSHCF-UHFFFAOYSA-N -1 3 388.439 3.088 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)nc21 ZINC000157767845 1424083938 /nfs/dbraw/zinc/08/39/38/1424083938.db2.gz JQZLXOSFKXBJPU-UHFFFAOYSA-N -1 3 389.415 3.404 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3ccc(F)c(F)c3)nc21 ZINC000157775117 1424085464 /nfs/dbraw/zinc/08/54/64/1424085464.db2.gz RLPCJNJWVKPKPO-UHFFFAOYSA-N -1 3 377.372 3.359 20 0 GGADHM O[C@@H](CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1)c1ccco1 ZINC000826503182 1424094210 /nfs/dbraw/zinc/09/42/10/1424094210.db2.gz SGRPRNYAYBOGMA-KRWDZBQOSA-N -1 3 381.461 3.257 20 0 GGADHM O[C@@H](CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1)c1ccco1 ZINC000826503182 1424094212 /nfs/dbraw/zinc/09/42/12/1424094212.db2.gz SGRPRNYAYBOGMA-KRWDZBQOSA-N -1 3 381.461 3.257 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000157833875 1424098473 /nfs/dbraw/zinc/09/84/73/1424098473.db2.gz VTCVNMRHVBMWLI-UHFFFAOYSA-N -1 3 376.503 3.243 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1F ZINC000157847371 1424103304 /nfs/dbraw/zinc/10/33/04/1424103304.db2.gz YVOPYTBFMVHTFM-UHFFFAOYSA-N -1 3 382.482 3.188 20 0 GGADHM CCN(Cc1cc(OC)c(OC)c(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428165 1424158270 /nfs/dbraw/zinc/15/82/70/1424158270.db2.gz DOUZVGAKAVUYKM-CQSZACIVSA-N -1 3 397.479 3.476 20 0 GGADHM CCN(Cc1cc(OC)c(OC)c(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428165 1424158274 /nfs/dbraw/zinc/15/82/74/1424158274.db2.gz DOUZVGAKAVUYKM-CQSZACIVSA-N -1 3 397.479 3.476 20 0 GGADHM COCc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000158075413 1424158530 /nfs/dbraw/zinc/15/85/30/1424158530.db2.gz MMSZJXZFBOAIDA-CQSZACIVSA-N -1 3 395.912 3.043 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)ccc1OC(C)C ZINC000158228406 1424201367 /nfs/dbraw/zinc/20/13/67/1424201367.db2.gz PHLWKOPFSOAVII-UHFFFAOYSA-N -1 3 390.505 3.346 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(C2OCCO2)c1 ZINC000158280557 1424215724 /nfs/dbraw/zinc/21/57/24/1424215724.db2.gz PDBSXQUUKZYAQI-UHFFFAOYSA-N -1 3 378.222 3.130 20 0 GGADHM Brc1cccc2c1CC[C@H]2NCc1ccc(-c2nnn[n-]2)s1 ZINC000819688629 1424219169 /nfs/dbraw/zinc/21/91/69/1424219169.db2.gz KTBQWNNYODPPKR-CYBMUJFWSA-N -1 3 376.283 3.468 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4ccc(OC)cc34)nc21 ZINC000158402459 1424245691 /nfs/dbraw/zinc/24/56/91/1424245691.db2.gz GNWHRTAVGDMOLQ-UHFFFAOYSA-N -1 3 378.388 3.021 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000158402821 1424245828 /nfs/dbraw/zinc/24/58/28/1424245828.db2.gz JPYRXHUDVHJAGH-UHFFFAOYSA-N -1 3 379.819 3.321 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(-c4nccs4)c3C)nc21 ZINC000158401805 1424245933 /nfs/dbraw/zinc/24/59/33/1424245933.db2.gz TXVDUFYNYHSPCT-UHFFFAOYSA-N -1 3 395.444 3.466 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3coc(-c4cccs4)n3)nc21 ZINC000158406877 1424246845 /nfs/dbraw/zinc/24/68/45/1424246845.db2.gz VZLVOCQRYXLKON-UHFFFAOYSA-N -1 3 382.401 3.247 20 0 GGADHM CCCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)[nH]c(C)c1C(C)=O ZINC000158416519 1424248962 /nfs/dbraw/zinc/24/89/62/1424248962.db2.gz JXIUZEYAUQYHPD-UHFFFAOYSA-N -1 3 382.420 3.393 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)nc21 ZINC000158425717 1424251385 /nfs/dbraw/zinc/25/13/85/1424251385.db2.gz BQDYMHSNHSXVTK-SECBINFHSA-N -1 3 375.331 3.034 20 0 GGADHM CCOCCOCc1cccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825599697 1424274096 /nfs/dbraw/zinc/27/40/96/1424274096.db2.gz PXLYVLFAVJPUEK-HNNXBMFYSA-N -1 3 399.470 3.410 20 0 GGADHM CCOCCOCc1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825599697 1424274101 /nfs/dbraw/zinc/27/41/01/1424274101.db2.gz PXLYVLFAVJPUEK-HNNXBMFYSA-N -1 3 399.470 3.410 20 0 GGADHM O=C(Nc1cc(F)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000158591121 1424297695 /nfs/dbraw/zinc/29/76/95/1424297695.db2.gz MFSYAXBBWLDDDX-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000158654253 1424311338 /nfs/dbraw/zinc/31/13/38/1424311338.db2.gz MSGOOEGOKBAYSS-UHFFFAOYSA-N -1 3 375.310 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000158654253 1424311348 /nfs/dbraw/zinc/31/13/48/1424311348.db2.gz MSGOOEGOKBAYSS-UHFFFAOYSA-N -1 3 375.310 3.328 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000158741779 1424331692 /nfs/dbraw/zinc/33/16/92/1424331692.db2.gz IYQOIEPBNGHAHJ-UHFFFAOYSA-N -1 3 396.534 3.015 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825220833 1424338538 /nfs/dbraw/zinc/33/85/38/1424338538.db2.gz WZETZAVGTJZYLI-SUMWQHHRSA-N -1 3 396.520 3.115 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825220833 1424338542 /nfs/dbraw/zinc/33/85/42/1424338542.db2.gz WZETZAVGTJZYLI-SUMWQHHRSA-N -1 3 396.520 3.115 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H](C)c2ccsc2)c1 ZINC000158790476 1424342232 /nfs/dbraw/zinc/34/22/32/1424342232.db2.gz DTMBKHFFTCYCHH-VIFPVBQESA-N -1 3 383.267 3.084 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736135408 1429719803 /nfs/dbraw/zinc/71/98/03/1429719803.db2.gz YBHUHUMAWCULOF-VHSXEESVSA-N -1 3 376.873 3.259 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736135408 1429719808 /nfs/dbraw/zinc/71/98/08/1429719808.db2.gz YBHUHUMAWCULOF-VHSXEESVSA-N -1 3 376.873 3.259 20 0 GGADHM CCc1noc(-c2ccc(CCNC(=O)NCc3ccc([O-])c(F)c3)cc2)n1 ZINC000158844718 1424355576 /nfs/dbraw/zinc/35/55/76/1424355576.db2.gz HYFBQBSCFJXTRG-UHFFFAOYSA-N -1 3 384.411 3.186 20 0 GGADHM CN1CCN(c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2Cl)CC1 ZINC000158891497 1424365198 /nfs/dbraw/zinc/36/51/98/1424365198.db2.gz DDQRUZJDVURKGA-UHFFFAOYSA-N -1 3 396.878 3.186 20 0 GGADHM CC(C)(C)O[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000159064118 1424408726 /nfs/dbraw/zinc/40/87/26/1424408726.db2.gz GDEDOYUADSUFSZ-HXUWFJFHSA-N -1 3 396.487 3.233 20 0 GGADHM C[C@H](Cc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000159063230 1424408841 /nfs/dbraw/zinc/40/88/41/1424408841.db2.gz MXZAMNBZGSTQON-OAHLLOKOSA-N -1 3 386.879 3.209 20 0 GGADHM C[C@H](Cc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000159073160 1424410954 /nfs/dbraw/zinc/41/09/54/1424410954.db2.gz XLKQCDSVYCNIMP-OAHLLOKOSA-N -1 3 386.879 3.209 20 0 GGADHM CC(C)(C)O[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000159073720 1424411081 /nfs/dbraw/zinc/41/10/81/1424411081.db2.gz PCOLOFMXWQIJPD-HXUWFJFHSA-N -1 3 396.487 3.233 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000159085993 1424413570 /nfs/dbraw/zinc/41/35/70/1424413570.db2.gz OWSXINXEQGQFEV-AWEZNQCLSA-N -1 3 397.500 3.350 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(CC(C)C)c3C)c2)n1 ZINC000159102886 1424417473 /nfs/dbraw/zinc/41/74/73/1424417473.db2.gz JBZMKKVMPIVYTI-UHFFFAOYSA-N -1 3 379.464 3.413 20 0 GGADHM C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736133831 1424421109 /nfs/dbraw/zinc/42/11/09/1424421109.db2.gz TVUFGSLMCAOAHR-BFUOFWGJSA-N -1 3 394.454 3.464 20 0 GGADHM C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736133831 1424421112 /nfs/dbraw/zinc/42/11/12/1424421112.db2.gz TVUFGSLMCAOAHR-BFUOFWGJSA-N -1 3 394.454 3.464 20 0 GGADHM COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2ccc([O-])c(F)c2)cc1OC ZINC000159218936 1424445968 /nfs/dbraw/zinc/44/59/68/1424445968.db2.gz VLXPZMXRVBQYSW-IBGZPJMESA-N -1 3 386.423 3.496 20 0 GGADHM CCC[C@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1nn[n-]n1 ZINC000136671295 1424456246 /nfs/dbraw/zinc/45/62/46/1424456246.db2.gz DXODEHGCKCGVGW-IBGZPJMESA-N -1 3 378.480 3.103 20 0 GGADHM CCC[C@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1nnn[n-]1 ZINC000136671295 1424456248 /nfs/dbraw/zinc/45/62/48/1424456248.db2.gz DXODEHGCKCGVGW-IBGZPJMESA-N -1 3 378.480 3.103 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000159320383 1424484288 /nfs/dbraw/zinc/48/42/88/1424484288.db2.gz DDZSEZDJPPQZOV-JTQLQIEISA-N -1 3 396.715 3.176 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CC=C(c2ccc(C)cc2)CC1 ZINC000737032932 1424507434 /nfs/dbraw/zinc/50/74/34/1424507434.db2.gz PLIUITFWTQVJJJ-UHFFFAOYSA-N -1 3 391.475 3.352 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CC=C(c2ccc(C)cc2)CC1 ZINC000737032932 1424507444 /nfs/dbraw/zinc/50/74/44/1424507444.db2.gz PLIUITFWTQVJJJ-UHFFFAOYSA-N -1 3 391.475 3.352 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000159596928 1424516912 /nfs/dbraw/zinc/51/69/12/1424516912.db2.gz KEGRGDOBMIEXPV-NSHDSACASA-N -1 3 399.373 3.418 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000159596928 1424516915 /nfs/dbraw/zinc/51/69/15/1424516915.db2.gz KEGRGDOBMIEXPV-NSHDSACASA-N -1 3 399.373 3.418 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H](O)c1ccc(Cl)cc1 ZINC000159748308 1424532776 /nfs/dbraw/zinc/53/27/76/1424532776.db2.gz IWUVCGKONHTBJO-HNNXBMFYSA-N -1 3 399.672 3.341 20 0 GGADHM C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539884 1429734672 /nfs/dbraw/zinc/73/46/72/1429734672.db2.gz QMTPRVHULRJBQX-LIRRHRJNSA-N -1 3 391.454 3.374 20 0 GGADHM C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539884 1429734676 /nfs/dbraw/zinc/73/46/76/1429734676.db2.gz QMTPRVHULRJBQX-LIRRHRJNSA-N -1 3 391.454 3.374 20 0 GGADHM CC(C)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297621 1424560151 /nfs/dbraw/zinc/56/01/51/1424560151.db2.gz XSKODUIOVQMWNL-SJORKVTESA-N -1 3 385.422 3.176 20 0 GGADHM CN(C)[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc(F)c1 ZINC000736759548 1429736987 /nfs/dbraw/zinc/73/69/87/1429736987.db2.gz MVWLHPRQDROSCM-IBGZPJMESA-N -1 3 377.427 3.269 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820642328 1424611716 /nfs/dbraw/zinc/61/17/16/1424611716.db2.gz IAEIEMSEWJYABM-CZUORRHYSA-N -1 3 396.882 3.337 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)n1 ZINC000160678924 1424625561 /nfs/dbraw/zinc/62/55/61/1424625561.db2.gz KFXLOJDLYPKUAD-UHFFFAOYSA-N -1 3 389.822 3.279 20 0 GGADHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000160760759 1424632754 /nfs/dbraw/zinc/63/27/54/1424632754.db2.gz YPDIMUZQLXXBGZ-CQSZACIVSA-N -1 3 376.261 3.014 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC(C)C)ccc1F ZINC000160910532 1424643262 /nfs/dbraw/zinc/64/32/62/1424643262.db2.gz FRYITLDQGISMJS-UHFFFAOYSA-N -1 3 382.482 3.487 20 0 GGADHM CCS[C@@H]1CC[C@@H](N(C)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000821447818 1424653668 /nfs/dbraw/zinc/65/36/68/1424653668.db2.gz LGTSPRBTBAZHCO-IAGOWNOFSA-N -1 3 383.525 3.294 20 0 GGADHM CCS[C@@H]1CC[C@@H](N(C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447818 1424653673 /nfs/dbraw/zinc/65/36/73/1424653673.db2.gz LGTSPRBTBAZHCO-IAGOWNOFSA-N -1 3 383.525 3.294 20 0 GGADHM CC(C)(C)SCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000161304167 1424675093 /nfs/dbraw/zinc/67/50/93/1424675093.db2.gz OLKRQJKCSRVBOU-UHFFFAOYSA-N -1 3 399.003 3.108 20 0 GGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c(C)c1 ZINC000161573535 1424715087 /nfs/dbraw/zinc/71/50/87/1424715087.db2.gz FHUKJAXVIQWJSI-UHFFFAOYSA-N -1 3 386.477 3.120 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000161574177 1424715484 /nfs/dbraw/zinc/71/54/84/1424715484.db2.gz ONLVZJAYWIVOON-JTQLQIEISA-N -1 3 385.816 3.432 20 0 GGADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1 ZINC000161576341 1424716350 /nfs/dbraw/zinc/71/63/50/1424716350.db2.gz CCGWVLVCUQHPHX-UHFFFAOYSA-N -1 3 386.477 3.318 20 0 GGADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1 ZINC000161584844 1424717981 /nfs/dbraw/zinc/71/79/81/1424717981.db2.gz IANALKVMTOZTLD-UHFFFAOYSA-N -1 3 386.477 3.147 20 0 GGADHM Cc1ccc(Cn2nccc2NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)o1 ZINC000161650360 1424732884 /nfs/dbraw/zinc/73/28/84/1424732884.db2.gz KDDNFPOXAYOVBW-UHFFFAOYSA-N -1 3 380.379 3.374 20 0 GGADHM COc1ccccc1C(=O)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000180129300 1429750120 /nfs/dbraw/zinc/75/01/20/1429750120.db2.gz MIFDUHAZWHZCPX-UHFFFAOYSA-N -1 3 383.629 3.186 20 0 GGADHM O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccs1 ZINC000161830789 1424774791 /nfs/dbraw/zinc/77/47/91/1424774791.db2.gz NXEZEQAVUNBIQU-CQSZACIVSA-N -1 3 386.926 3.050 20 0 GGADHM O=C(Cc1csc2ccc(Cl)cc12)NCCNC(=O)c1ccc([O-])cc1 ZINC000161850082 1424779059 /nfs/dbraw/zinc/77/90/59/1424779059.db2.gz DDLOOVLJJMINBB-UHFFFAOYSA-N -1 3 388.876 3.349 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@H]2CCC(C)C)c(-c2nn[n-]n2)c1C ZINC000822558005 1424785518 /nfs/dbraw/zinc/78/55/18/1424785518.db2.gz LKONGYCRXZREHY-AWEZNQCLSA-N -1 3 376.530 3.384 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@H]2CCC(C)C)c(-c2nnn[n-]2)c1C ZINC000822558005 1424785522 /nfs/dbraw/zinc/78/55/22/1424785522.db2.gz LKONGYCRXZREHY-AWEZNQCLSA-N -1 3 376.530 3.384 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccco1 ZINC000161908051 1424793706 /nfs/dbraw/zinc/79/37/06/1424793706.db2.gz PGZPAUJEJZXEQD-HXUWFJFHSA-N -1 3 378.428 3.205 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)c1C ZINC000161945874 1424801415 /nfs/dbraw/zinc/80/14/15/1424801415.db2.gz XZWOPCWMYCMUCZ-UHFFFAOYSA-N -1 3 395.546 3.308 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1)c1ccc(Br)cc1F ZINC000161957586 1424802922 /nfs/dbraw/zinc/80/29/22/1424802922.db2.gz PGRJBORLACNPMK-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM CC1(C)C[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000162140284 1424819384 /nfs/dbraw/zinc/81/93/84/1424819384.db2.gz GBUSMIRBTWQHBM-UYAOXDASSA-N -1 3 396.487 3.327 20 0 GGADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)c2)n1 ZINC000162194429 1424825398 /nfs/dbraw/zinc/82/53/98/1424825398.db2.gz STKHFSCTSKAEOU-UHFFFAOYSA-N -1 3 376.372 3.486 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826371293 1424825950 /nfs/dbraw/zinc/82/59/50/1424825950.db2.gz AHOXFQGVJAKWQS-MRXNPFEDSA-N -1 3 377.427 3.020 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824539904 1429756569 /nfs/dbraw/zinc/75/65/69/1429756569.db2.gz QUVPHFPHGOCJEC-JCURWCKSSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824539904 1429756574 /nfs/dbraw/zinc/75/65/74/1429756574.db2.gz QUVPHFPHGOCJEC-JCURWCKSSA-N -1 3 391.397 3.052 20 0 GGADHM O=C(NCc1ccc(COC2CCOCC2)cc1)NCc1ccc([O-])c(F)c1 ZINC000162296169 1424835114 /nfs/dbraw/zinc/83/51/14/1424835114.db2.gz NYVXGKAKLIJEIZ-UHFFFAOYSA-N -1 3 388.439 3.226 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3ccc(F)cc3F)nc21 ZINC000162488627 1424858020 /nfs/dbraw/zinc/85/80/20/1424858020.db2.gz HCFAOOWGLOUXFT-UHFFFAOYSA-N -1 3 387.342 3.229 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccn(-c4ccccc4Cl)n3)nc21 ZINC000162541546 1424864465 /nfs/dbraw/zinc/86/44/65/1424864465.db2.gz RUPACISJSJNIML-UHFFFAOYSA-N -1 3 395.806 3.441 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCSc3ccc(C(F)(F)F)cc32)c(=O)[n-]1 ZINC000162554547 1424865642 /nfs/dbraw/zinc/86/56/42/1424865642.db2.gz CNZGCRNTBYXXOR-UHFFFAOYSA-N -1 3 397.422 3.477 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824271838 1424911633 /nfs/dbraw/zinc/91/16/33/1424911633.db2.gz RAWLUJRQMIMYDF-OAHLLOKOSA-N -1 3 394.479 3.191 20 0 GGADHM COc1ccc(C2(C(=O)Nc3nnc(C(F)(F)F)[n-]3)CCCC2)cc1OC ZINC000180152502 1429765310 /nfs/dbraw/zinc/76/53/10/1429765310.db2.gz SYYONJRAKNQFJI-UHFFFAOYSA-N -1 3 384.358 3.291 20 0 GGADHM COc1ccc(C2(C(=O)Nc3nc(C(F)(F)F)n[n-]3)CCCC2)cc1OC ZINC000180152502 1429765320 /nfs/dbraw/zinc/76/53/20/1429765320.db2.gz SYYONJRAKNQFJI-UHFFFAOYSA-N -1 3 384.358 3.291 20 0 GGADHM C[C@H]1SCCN(CCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000736301643 1424943545 /nfs/dbraw/zinc/94/35/45/1424943545.db2.gz PNLYORUVOHAGLJ-BEFAXECRSA-N -1 3 381.505 3.424 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(n2ccnn2)CC1 ZINC000163174303 1424953135 /nfs/dbraw/zinc/95/31/35/1424953135.db2.gz QPTSVQVIDPEODY-UHFFFAOYSA-N -1 3 376.460 3.246 20 0 GGADHM CC(=O)Nc1ccc(-c2csc([N-]c3ncnc4c3cnn4C)n2)c(F)c1 ZINC000163172786 1424953311 /nfs/dbraw/zinc/95/33/11/1424953311.db2.gz MIZCZILBNYVEMM-UHFFFAOYSA-N -1 3 383.412 3.328 20 0 GGADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000163180704 1424955078 /nfs/dbraw/zinc/95/50/78/1424955078.db2.gz YGRDJVSPGKOITF-ZIAGYGMSSA-N -1 3 393.484 3.463 20 0 GGADHM Cc1ccc([C@@H](CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)N2CCCC2)o1 ZINC000826283972 1429767491 /nfs/dbraw/zinc/76/74/91/1429767491.db2.gz GOSYINCYGUTTNL-RDTXWAMCSA-N -1 3 384.459 3.395 20 0 GGADHM Cc1ccc([C@@H](CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)N2CCCC2)o1 ZINC000826283972 1429767492 /nfs/dbraw/zinc/76/74/92/1429767492.db2.gz GOSYINCYGUTTNL-RDTXWAMCSA-N -1 3 384.459 3.395 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](O)c1ccc2ccccc2c1 ZINC000163243954 1424966340 /nfs/dbraw/zinc/96/63/40/1424966340.db2.gz IYGKNYOHLYLCMR-IBGZPJMESA-N -1 3 377.412 3.271 20 0 GGADHM C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824619619 1424973386 /nfs/dbraw/zinc/97/33/86/1424973386.db2.gz XMDRKXPHJAXQAT-CYBMUJFWSA-N -1 3 382.493 3.491 20 0 GGADHM Cc1cc(NC(=O)NN=c2ccc(Cl)n[n-]2)nn1-c1ccccc1Cl ZINC000180151722 1429763889 /nfs/dbraw/zinc/76/38/89/1429763889.db2.gz OQNKHRNFQGOVNP-UHFFFAOYSA-N -1 3 378.223 3.426 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H]4CCC[C@H]4C3)cs2)c1 ZINC000180151545 1429764000 /nfs/dbraw/zinc/76/40/00/1429764000.db2.gz VGUDEXRFXUEJRB-KBPBESRZSA-N -1 3 385.489 3.210 20 0 GGADHM O=C1CC2(CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)Oc2ccc(F)cc21 ZINC001139855580 1424976988 /nfs/dbraw/zinc/97/69/88/1424976988.db2.gz WQNLQNDHDBNZHF-UHFFFAOYSA-N -1 3 393.422 3.006 20 0 GGADHM O=C1CC2(CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)Oc2ccc(F)cc21 ZINC001139855580 1424976991 /nfs/dbraw/zinc/97/69/91/1424976991.db2.gz WQNLQNDHDBNZHF-UHFFFAOYSA-N -1 3 393.422 3.006 20 0 GGADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163394516 1424990150 /nfs/dbraw/zinc/99/01/50/1424990150.db2.gz RQSRLPUVOYSWDJ-WPRPVWTQSA-N -1 3 384.401 3.176 20 0 GGADHM Cc1c(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1cc(C)ccc1C ZINC000163457803 1425002310 /nfs/dbraw/zinc/00/23/10/1425002310.db2.gz MLANNDOYIZHRGG-UHFFFAOYSA-N -1 3 389.415 3.325 20 0 GGADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc4n[n-]nc43)n2)cc1 ZINC000163458232 1425003135 /nfs/dbraw/zinc/00/31/35/1425003135.db2.gz RURQBMDQDZUCHN-UHFFFAOYSA-N -1 3 378.417 3.292 20 0 GGADHM COc1cc(CNC(=O)c2cccc3n[n-]nc32)ccc1OCc1ccccc1 ZINC000163490535 1425007543 /nfs/dbraw/zinc/00/75/43/1425007543.db2.gz LTFKGIMWNHVZNS-UHFFFAOYSA-N -1 3 388.427 3.476 20 0 GGADHM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000163523690 1425011928 /nfs/dbraw/zinc/01/19/28/1425011928.db2.gz VJTIEWKRILAXPG-UHFFFAOYSA-N -1 3 381.436 3.435 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000163609743 1425024633 /nfs/dbraw/zinc/02/46/33/1425024633.db2.gz RWUHBELKZROTPD-CQSZACIVSA-N -1 3 390.867 3.462 20 0 GGADHM Cc1ccc(C(=O)NC2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)s1 ZINC000163684920 1425034048 /nfs/dbraw/zinc/03/40/48/1425034048.db2.gz YQYHRCRZXCKHNM-UHFFFAOYSA-N -1 3 391.468 3.005 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)c(C)c1 ZINC000180156370 1429768285 /nfs/dbraw/zinc/76/82/85/1429768285.db2.gz LYEHOMVIIBFLJB-UHFFFAOYSA-N -1 3 390.505 3.027 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1F ZINC000164036196 1425070034 /nfs/dbraw/zinc/07/00/34/1425070034.db2.gz ONZBQSWPPANNLH-UHFFFAOYSA-N -1 3 377.397 3.459 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000822000596 1425098879 /nfs/dbraw/zinc/09/88/79/1425098879.db2.gz PELQMJRQLNTQKP-MRXNPFEDSA-N -1 3 385.475 3.126 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000822000596 1425098887 /nfs/dbraw/zinc/09/88/87/1425098887.db2.gz PELQMJRQLNTQKP-MRXNPFEDSA-N -1 3 385.475 3.126 20 0 GGADHM Cc1nc(C)c(CC(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000164350922 1425102371 /nfs/dbraw/zinc/10/23/71/1425102371.db2.gz IOBMNKFUZNCRJE-UHFFFAOYSA-N -1 3 395.434 3.220 20 0 GGADHM O[C@H](CN1CCCC[C@H]1c1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683064 1429776794 /nfs/dbraw/zinc/77/67/94/1429776794.db2.gz XTBWGFQIEZJKMZ-ZWKOTPCHSA-N -1 3 390.447 3.269 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1)c1ccc(F)cc1 ZINC000180169144 1429777949 /nfs/dbraw/zinc/77/79/49/1429777949.db2.gz NNQKOFVMTAXXFR-UHFFFAOYSA-N -1 3 389.383 3.413 20 0 GGADHM CCCc1ccccc1NC(=O)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000164612583 1425128476 /nfs/dbraw/zinc/12/84/76/1425128476.db2.gz VKNYPPCNSPVQQJ-UHFFFAOYSA-N -1 3 394.258 3.346 20 0 GGADHM CCCc1ccc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000164605689 1425128730 /nfs/dbraw/zinc/12/87/30/1425128730.db2.gz AJVMMDOEXIGQED-UHFFFAOYSA-N -1 3 394.258 3.346 20 0 GGADHM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cccc2n[n-]nc21 ZINC000164958459 1425153621 /nfs/dbraw/zinc/15/36/21/1425153621.db2.gz UNOVYAPPSLFVSG-UHFFFAOYSA-N -1 3 389.390 3.279 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820414546 1425157852 /nfs/dbraw/zinc/15/78/52/1425157852.db2.gz ZBBCLXXURYWANG-HUUCEWRRSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820414546 1425157858 /nfs/dbraw/zinc/15/78/58/1425157858.db2.gz ZBBCLXXURYWANG-HUUCEWRRSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000824626196 1425161920 /nfs/dbraw/zinc/16/19/20/1425161920.db2.gz NLWZOOSFTBDMQB-OAHLLOKOSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000824626196 1425161926 /nfs/dbraw/zinc/16/19/26/1425161926.db2.gz NLWZOOSFTBDMQB-OAHLLOKOSA-N -1 3 399.458 3.365 20 0 GGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(CCS(C)(=O)=O)cc3)c[n-]c12 ZINC000165211524 1425170380 /nfs/dbraw/zinc/17/03/80/1425170380.db2.gz HOZKMLNTAJODME-UHFFFAOYSA-N -1 3 384.457 3.088 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cnc(Cl)c(Cl)c1 ZINC000167296094 1425223727 /nfs/dbraw/zinc/22/37/27/1425223727.db2.gz JUYWNWSFZKUUMH-UHTWSYAYSA-N -1 3 377.293 3.014 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C)CCC2)c(Br)cc1Cl ZINC000167395127 1425225941 /nfs/dbraw/zinc/22/59/41/1425225941.db2.gz DYTCTJFUMWGZQH-UHFFFAOYSA-N -1 3 396.690 3.110 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094821 1425227722 /nfs/dbraw/zinc/22/77/22/1425227722.db2.gz IQUOZLXKPSASAC-KSZLIROESA-N -1 3 383.496 3.342 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094821 1425227732 /nfs/dbraw/zinc/22/77/32/1425227732.db2.gz IQUOZLXKPSASAC-KSZLIROESA-N -1 3 383.496 3.342 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(OC(C)C)n3)c2)n1 ZINC000169057049 1425242627 /nfs/dbraw/zinc/24/26/27/1425242627.db2.gz NEMWAUSQUOYHEU-UHFFFAOYSA-N -1 3 378.432 3.434 20 0 GGADHM O=C(CCc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000169872872 1425260450 /nfs/dbraw/zinc/26/04/50/1425260450.db2.gz MVXNEODBNGICHY-UHFFFAOYSA-N -1 3 386.879 3.399 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSC[C@@H]3CCCCO3)c2)n1 ZINC000170758593 1425330133 /nfs/dbraw/zinc/33/01/33/1425330133.db2.gz NZOGHIREEHFTTO-KRWDZBQOSA-N -1 3 387.505 3.240 20 0 GGADHM COc1ccc([C@@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C2CC2)cc1 ZINC000170826765 1425357129 /nfs/dbraw/zinc/35/71/29/1425357129.db2.gz MRZBRLKLTMPKCA-NRFANRHFSA-N -1 3 382.460 3.097 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3cnn(C(C)C)c3c2)c([O-])c1 ZINC000170829250 1425358595 /nfs/dbraw/zinc/35/85/95/1425358595.db2.gz DLGBYLGQYGOAPD-UHFFFAOYSA-N -1 3 380.448 3.390 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000170947641 1425407154 /nfs/dbraw/zinc/40/71/54/1425407154.db2.gz WTPDCYIGGQTCTK-AWEZNQCLSA-N -1 3 399.491 3.294 20 0 GGADHM c1coc([C@@H](CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)N2CCCC2)c1 ZINC000826526051 1425465980 /nfs/dbraw/zinc/46/59/80/1425465980.db2.gz JEKUXVUFKYKZEE-QGZVFWFLSA-N -1 3 375.436 3.257 20 0 GGADHM c1coc([C@@H](CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)N2CCCC2)c1 ZINC000826526051 1425465985 /nfs/dbraw/zinc/46/59/85/1425465985.db2.gz JEKUXVUFKYKZEE-QGZVFWFLSA-N -1 3 375.436 3.257 20 0 GGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000171082474 1425473355 /nfs/dbraw/zinc/47/33/55/1425473355.db2.gz OZHSDJWAUYKSFR-UHFFFAOYSA-N -1 3 376.265 3.051 20 0 GGADHM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000171104696 1425484540 /nfs/dbraw/zinc/48/45/40/1425484540.db2.gz ONCRFXPUXJORIO-MRXNPFEDSA-N -1 3 397.406 3.034 20 0 GGADHM CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825069253 1425595907 /nfs/dbraw/zinc/59/59/07/1425595907.db2.gz ZHZQDYBNASVLML-JYJNAYRXSA-N -1 3 392.507 3.488 20 0 GGADHM CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825069253 1425595911 /nfs/dbraw/zinc/59/59/11/1425595911.db2.gz ZHZQDYBNASVLML-JYJNAYRXSA-N -1 3 392.507 3.488 20 0 GGADHM CSc1ccc(CNCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826230599 1425639104 /nfs/dbraw/zinc/63/91/04/1425639104.db2.gz AWIGNFKFIOTMLE-UHFFFAOYSA-N -1 3 391.504 3.279 20 0 GGADHM CSc1ccc(CNCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826230599 1425639107 /nfs/dbraw/zinc/63/91/07/1425639107.db2.gz AWIGNFKFIOTMLE-UHFFFAOYSA-N -1 3 391.504 3.279 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(O[C@@H]4CCCCNC4=O)cc3)n[n-]2)o1 ZINC000171374932 1425647614 /nfs/dbraw/zinc/64/76/14/1425647614.db2.gz OUKGGHRVSRIQDY-LJQANCHMSA-N -1 3 395.415 3.245 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(O[C@@H]4CCCCNC4=O)cc3)[n-]n2)o1 ZINC000171374932 1425647633 /nfs/dbraw/zinc/64/76/33/1425647633.db2.gz OUKGGHRVSRIQDY-LJQANCHMSA-N -1 3 395.415 3.245 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000737631076 1425663991 /nfs/dbraw/zinc/66/39/91/1425663991.db2.gz DDAQSDFCWADBJA-LBPRGKRZSA-N -1 3 393.373 3.123 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000737631076 1425663995 /nfs/dbraw/zinc/66/39/95/1425663995.db2.gz DDAQSDFCWADBJA-LBPRGKRZSA-N -1 3 393.373 3.123 20 0 GGADHM C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C(=O)N1c1ccccc1 ZINC000824893357 1425681503 /nfs/dbraw/zinc/68/15/03/1425681503.db2.gz QCCGXYLGDQZWMS-XMCHAPAWSA-N -1 3 388.475 3.028 20 0 GGADHM C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C(=O)N1c1ccccc1 ZINC000824893357 1425681506 /nfs/dbraw/zinc/68/15/06/1425681506.db2.gz QCCGXYLGDQZWMS-XMCHAPAWSA-N -1 3 388.475 3.028 20 0 GGADHM Cc1ccc(C(C)(C)CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000171472753 1425694176 /nfs/dbraw/zinc/69/41/76/1425694176.db2.gz XGEOZGZKZNPRDR-UHFFFAOYSA-N -1 3 395.503 3.146 20 0 GGADHM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000171509454 1425709553 /nfs/dbraw/zinc/70/95/53/1425709553.db2.gz WLRIZTRSWRXMFG-CYBMUJFWSA-N -1 3 388.464 3.026 20 0 GGADHM CCN1CCCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736569807 1425726114 /nfs/dbraw/zinc/72/61/14/1425726114.db2.gz IZQHKQDZJLNCQD-INIZCTEOSA-N -1 3 396.520 3.086 20 0 GGADHM CCN1CCCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736569807 1425726118 /nfs/dbraw/zinc/72/61/18/1425726118.db2.gz IZQHKQDZJLNCQD-INIZCTEOSA-N -1 3 396.520 3.086 20 0 GGADHM c1cc(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n(CCc2ccccc2)n1 ZINC000826521554 1425756773 /nfs/dbraw/zinc/75/67/73/1425756773.db2.gz QTXVJZUACYHAHZ-JOCHJYFZSA-N -1 3 399.502 3.473 20 0 GGADHM C[C@@H](N[C@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554546 1425814251 /nfs/dbraw/zinc/81/42/51/1425814251.db2.gz QHJMNWGTHNJYKJ-OCCSQVGLSA-N -1 3 383.475 3.165 20 0 GGADHM C[C@@H](N[C@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554546 1425814257 /nfs/dbraw/zinc/81/42/57/1425814257.db2.gz QHJMNWGTHNJYKJ-OCCSQVGLSA-N -1 3 383.475 3.165 20 0 GGADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000171773749 1425816745 /nfs/dbraw/zinc/81/67/45/1425816745.db2.gz WGDHJGVIXWQSLI-UHFFFAOYSA-N -1 3 389.477 3.169 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OCCOC)cc3)c2)n1 ZINC000171848932 1425834511 /nfs/dbraw/zinc/83/45/11/1425834511.db2.gz FUTMVRUOJFSVOT-UHFFFAOYSA-N -1 3 393.443 3.277 20 0 GGADHM CC(C)C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2[nH]1 ZINC000171860064 1425837122 /nfs/dbraw/zinc/83/71/22/1425837122.db2.gz QKFKSDHVRGCQHE-KRWDZBQOSA-N -1 3 375.432 3.317 20 0 GGADHM CC(C)C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2[nH]1 ZINC000171860066 1425837318 /nfs/dbraw/zinc/83/73/18/1425837318.db2.gz QKFKSDHVRGCQHE-QGZVFWFLSA-N -1 3 375.432 3.317 20 0 GGADHM CC[C@@H](Sc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000171863212 1425837778 /nfs/dbraw/zinc/83/77/78/1425837778.db2.gz JRFLURHLZANSCZ-LJQANCHMSA-N -1 3 384.501 3.248 20 0 GGADHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000171865569 1425838576 /nfs/dbraw/zinc/83/85/76/1425838576.db2.gz KMKNWLOKMFTXSX-UHFFFAOYSA-N -1 3 395.846 3.312 20 0 GGADHM CC(C)(C)CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000735603047 1425864216 /nfs/dbraw/zinc/86/42/16/1425864216.db2.gz VUBGJGWNIRHUJB-UHFFFAOYSA-N -1 3 392.507 3.031 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)c(C)c3)cc21 ZINC000172192941 1425939995 /nfs/dbraw/zinc/93/99/95/1425939995.db2.gz NJRWHGWYCZUPMF-UHFFFAOYSA-N -1 3 399.516 3.305 20 0 GGADHM COc1cccc(Oc2ccc(CNCc3ccc(-c4nn[n-]n4)s3)cn2)c1 ZINC000821877726 1425959028 /nfs/dbraw/zinc/95/90/28/1425959028.db2.gz RUMHQWWWFSCIHK-UHFFFAOYSA-N -1 3 394.460 3.414 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)no1 ZINC000172321386 1425997307 /nfs/dbraw/zinc/99/73/07/1425997307.db2.gz DWUXVKGYJDRPIW-UHFFFAOYSA-N -1 3 385.445 3.273 20 0 GGADHM Cc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1C ZINC000172323625 1425998414 /nfs/dbraw/zinc/99/84/14/1425998414.db2.gz KFVOOOCYLIOUJX-UHFFFAOYSA-N -1 3 377.444 3.089 20 0 GGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172366530 1426016450 /nfs/dbraw/zinc/01/64/50/1426016450.db2.gz GVQLKRMSMDXSKJ-DAYGRLMNSA-N -1 3 394.537 3.034 20 0 GGADHM CC(C)(COc1ncc(Cl)cc1Cl)NCc1ccc(-c2nn[n-]n2)o1 ZINC000819988056 1426042266 /nfs/dbraw/zinc/04/22/66/1426042266.db2.gz RQLBWIICDLOABT-UHFFFAOYSA-N -1 3 383.239 3.109 20 0 GGADHM CC(C)(COc1ncc(Cl)cc1Cl)NCc1ccc(-c2nnn[n-]2)o1 ZINC000819988056 1426042273 /nfs/dbraw/zinc/04/22/73/1426042273.db2.gz RQLBWIICDLOABT-UHFFFAOYSA-N -1 3 383.239 3.109 20 0 GGADHM C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736129705 1426060988 /nfs/dbraw/zinc/06/09/88/1426060988.db2.gz FGQDFVDCTCKUTB-LIRRHRJNSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736129705 1426060997 /nfs/dbraw/zinc/06/09/97/1426060997.db2.gz FGQDFVDCTCKUTB-LIRRHRJNSA-N -1 3 376.464 3.325 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1C ZINC000172503817 1426062538 /nfs/dbraw/zinc/06/25/38/1426062538.db2.gz BUIITKHWKUVSBH-UHFFFAOYSA-N -1 3 388.424 3.079 20 0 GGADHM COc1cccc([C@@H](C)N2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000172627178 1426118948 /nfs/dbraw/zinc/11/89/48/1426118948.db2.gz SRWFQWVUDDLOAR-OAHLLOKOSA-N -1 3 387.455 3.128 20 0 GGADHM CCC[C@H](C(=O)OCC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172651133 1426128209 /nfs/dbraw/zinc/12/82/09/1426128209.db2.gz SBGCWODJBCEBNO-MRXNPFEDSA-N -1 3 382.888 3.428 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000826183840 1426128529 /nfs/dbraw/zinc/12/85/29/1426128529.db2.gz BNPHDPXVSGYTKB-HNNXBMFYSA-N -1 3 378.480 3.326 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000826183840 1426128533 /nfs/dbraw/zinc/12/85/33/1426128533.db2.gz BNPHDPXVSGYTKB-HNNXBMFYSA-N -1 3 378.480 3.326 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000172680595 1426140429 /nfs/dbraw/zinc/14/04/29/1426140429.db2.gz SHVJMNLQAFFEBB-UHFFFAOYSA-N -1 3 394.393 3.291 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1 ZINC000172890800 1426241485 /nfs/dbraw/zinc/24/14/85/1426241485.db2.gz BVTDJKTVBGGCDY-UHFFFAOYSA-N -1 3 389.477 3.447 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)cc(C)c1F ZINC000172895442 1426243537 /nfs/dbraw/zinc/24/35/37/1426243537.db2.gz BBCAIIHJVQCOJD-HNNXBMFYSA-N -1 3 378.469 3.468 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)cc(C)c1F ZINC000172895446 1426243774 /nfs/dbraw/zinc/24/37/74/1426243774.db2.gz BBCAIIHJVQCOJD-OAHLLOKOSA-N -1 3 378.469 3.468 20 0 GGADHM OCCCN(Cc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCCc2ccccc21 ZINC000823718455 1426265134 /nfs/dbraw/zinc/26/51/34/1426265134.db2.gz USPNIGYVGKMQAN-HXUWFJFHSA-N -1 3 381.455 3.268 20 0 GGADHM OCCCN(Cc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCCc2ccccc21 ZINC000823718455 1426265138 /nfs/dbraw/zinc/26/51/38/1426265138.db2.gz USPNIGYVGKMQAN-HXUWFJFHSA-N -1 3 381.455 3.268 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC(OCCc2ccccc2)CC1 ZINC000826168250 1426298046 /nfs/dbraw/zinc/29/80/46/1426298046.db2.gz HHAGMFOITPZMEM-UHFFFAOYSA-N -1 3 393.491 3.099 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC(OCCc2ccccc2)CC1 ZINC000826168250 1426298048 /nfs/dbraw/zinc/29/80/48/1426298048.db2.gz HHAGMFOITPZMEM-UHFFFAOYSA-N -1 3 393.491 3.099 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H]3C)ccc2C)cc1 ZINC000173144746 1426363745 /nfs/dbraw/zinc/36/37/45/1426363745.db2.gz LKMISNSHMJNNTH-OAHLLOKOSA-N -1 3 388.489 3.429 20 0 GGADHM C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000173164862 1426372963 /nfs/dbraw/zinc/37/29/63/1426372963.db2.gz PKDZHZFYTGFXGY-SECBINFHSA-N -1 3 377.293 3.059 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000173195736 1426386637 /nfs/dbraw/zinc/38/66/37/1426386637.db2.gz JSEXZKAQPTZKBY-ZDUSSCGKSA-N -1 3 398.850 3.014 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccncc1 ZINC000173220130 1426402246 /nfs/dbraw/zinc/40/22/46/1426402246.db2.gz MPGAPQBUXONNHI-NSHDSACASA-N -1 3 390.690 3.322 20 0 GGADHM CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825069250 1426430662 /nfs/dbraw/zinc/43/06/62/1426430662.db2.gz ZHZQDYBNASVLML-ARFHVFGLSA-N -1 3 392.507 3.488 20 0 GGADHM CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825069250 1426430664 /nfs/dbraw/zinc/43/06/64/1426430664.db2.gz ZHZQDYBNASVLML-ARFHVFGLSA-N -1 3 392.507 3.488 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824555877 1426450855 /nfs/dbraw/zinc/45/08/55/1426450855.db2.gz YMTWYFNXTNXGSC-YWZLYKJASA-N -1 3 390.491 3.053 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824555877 1426450856 /nfs/dbraw/zinc/45/08/56/1426450856.db2.gz YMTWYFNXTNXGSC-YWZLYKJASA-N -1 3 390.491 3.053 20 0 GGADHM CN(C)[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000821581058 1426460562 /nfs/dbraw/zinc/46/05/62/1426460562.db2.gz BLVPVYNKQFJUBL-SFHVURJKSA-N -1 3 377.427 3.269 20 0 GGADHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000173291734 1426471632 /nfs/dbraw/zinc/47/16/32/1426471632.db2.gz LZMVHFYNTNQEGM-UHFFFAOYSA-N -1 3 389.883 3.448 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194418 1426486770 /nfs/dbraw/zinc/48/67/70/1426486770.db2.gz WQRMMDASOOHVSC-HOTGVXAUSA-N -1 3 378.480 3.470 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194418 1426486772 /nfs/dbraw/zinc/48/67/72/1426486772.db2.gz WQRMMDASOOHVSC-HOTGVXAUSA-N -1 3 378.480 3.470 20 0 GGADHM CC(C)[C@@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824555960 1426495365 /nfs/dbraw/zinc/49/53/65/1426495365.db2.gz YWBYWZKBOPNAAU-MGPUTAFESA-N -1 3 378.480 3.031 20 0 GGADHM CC(C)[C@@H](NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824555960 1426495369 /nfs/dbraw/zinc/49/53/69/1426495369.db2.gz YWBYWZKBOPNAAU-MGPUTAFESA-N -1 3 378.480 3.031 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000735830160 1426503931 /nfs/dbraw/zinc/50/39/31/1426503931.db2.gz SKMCVWFGLCGLMC-KRWDZBQOSA-N -1 3 384.528 3.116 20 0 GGADHM CCSc1ccc([C@@H](C)NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825674593 1426509450 /nfs/dbraw/zinc/50/94/50/1426509450.db2.gz OOWVKZHLUJGCKR-CYBMUJFWSA-N -1 3 382.493 3.268 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000822740166 1426564949 /nfs/dbraw/zinc/56/49/49/1426564949.db2.gz HQBLBUIYXFERGN-FQEVSTJZSA-N -1 3 380.471 3.323 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ccc[nH]1 ZINC000173389026 1426566817 /nfs/dbraw/zinc/56/68/17/1426566817.db2.gz FNINFAYTWNTPIZ-UHFFFAOYSA-N -1 3 387.436 3.193 20 0 GGADHM Clc1ccc(C2=CCN(Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)cn1 ZINC000826351384 1426587951 /nfs/dbraw/zinc/58/79/51/1426587951.db2.gz KOQIKUWGRIUASQ-UHFFFAOYSA-N -1 3 391.866 3.457 20 0 GGADHM Clc1ccc(C2=CCN(Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)cn1 ZINC000826351384 1426587952 /nfs/dbraw/zinc/58/79/52/1426587952.db2.gz KOQIKUWGRIUASQ-UHFFFAOYSA-N -1 3 391.866 3.457 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000822233434 1426611946 /nfs/dbraw/zinc/61/19/46/1426611946.db2.gz OTMXBXCBXOTQSY-DOTOQJQBSA-N -1 3 396.520 3.443 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)C2CC2)n1 ZINC000173469203 1426644143 /nfs/dbraw/zinc/64/41/43/1426644143.db2.gz OPLYRGCHAGBGQO-MRXNPFEDSA-N -1 3 392.481 3.206 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000826170323 1426651784 /nfs/dbraw/zinc/65/17/84/1426651784.db2.gz WTFXRWSOHDVWEJ-FQEVSTJZSA-N -1 3 379.464 3.133 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000826170323 1426651786 /nfs/dbraw/zinc/65/17/86/1426651786.db2.gz WTFXRWSOHDVWEJ-FQEVSTJZSA-N -1 3 379.464 3.133 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)on1 ZINC000173495217 1426666396 /nfs/dbraw/zinc/66/63/96/1426666396.db2.gz OHQVQGGPIVOMFW-UHFFFAOYSA-N -1 3 380.466 3.152 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737269683 1426676063 /nfs/dbraw/zinc/67/60/63/1426676063.db2.gz GPJWBACKLULVBC-RDTXWAMCSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737269683 1426676065 /nfs/dbraw/zinc/67/60/65/1426676065.db2.gz GPJWBACKLULVBC-RDTXWAMCSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(F)ccc1NC(C)C ZINC000173513381 1426684566 /nfs/dbraw/zinc/68/45/66/1426684566.db2.gz VWRIYIRSWQCCRJ-UHFFFAOYSA-N -1 3 395.438 3.281 20 0 GGADHM C[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555949 1426727259 /nfs/dbraw/zinc/72/72/59/1426727259.db2.gz YUTISZPAJZLDGV-RISCZKNCSA-N -1 3 388.397 3.214 20 0 GGADHM C[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555949 1426727263 /nfs/dbraw/zinc/72/72/63/1426727263.db2.gz YUTISZPAJZLDGV-RISCZKNCSA-N -1 3 388.397 3.214 20 0 GGADHM Cc1nccn1CCCN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000826263795 1426730547 /nfs/dbraw/zinc/73/05/47/1426730547.db2.gz QUYCTVLVJFUCFC-UHFFFAOYSA-N -1 3 376.468 3.063 20 0 GGADHM CN(C)c1ccc(N2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000173573320 1426740562 /nfs/dbraw/zinc/74/05/62/1426740562.db2.gz SFWGXRGWRWJJRG-UHFFFAOYSA-N -1 3 399.969 3.415 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761563 1426763117 /nfs/dbraw/zinc/76/31/17/1426763117.db2.gz BPVGLBTXHALRQT-VIFPVBQESA-N -1 3 395.298 3.104 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761563 1426763119 /nfs/dbraw/zinc/76/31/19/1426763119.db2.gz BPVGLBTXHALRQT-VIFPVBQESA-N -1 3 395.298 3.104 20 0 GGADHM CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825068317 1426796002 /nfs/dbraw/zinc/79/60/02/1426796002.db2.gz QCNBFAJUHPZKPU-LSDHHAIUSA-N -1 3 378.480 3.246 20 0 GGADHM CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825068317 1426796003 /nfs/dbraw/zinc/79/60/03/1426796003.db2.gz QCNBFAJUHPZKPU-LSDHHAIUSA-N -1 3 378.480 3.246 20 0 GGADHM CC1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000173686856 1426820941 /nfs/dbraw/zinc/82/09/41/1426820941.db2.gz DYXUMWFDSNJNEI-UHFFFAOYSA-N -1 3 376.453 3.499 20 0 GGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000173780043 1426849144 /nfs/dbraw/zinc/84/91/44/1426849144.db2.gz SRESWZWOIKBHLK-SNVBAGLBSA-N -1 3 391.276 3.143 20 0 GGADHM CC[C@H]1Oc2cc([C@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)ccc2NC1=O ZINC000173840630 1426866865 /nfs/dbraw/zinc/86/68/65/1426866865.db2.gz CDMSKIMKXVBKGP-ZUZCIYMTSA-N -1 3 396.415 3.114 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)ccc2NC1=O ZINC000173840642 1426867079 /nfs/dbraw/zinc/86/70/79/1426867079.db2.gz CDMSKIMKXVBKGP-BONVTDFDSA-N -1 3 396.415 3.114 20 0 GGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000173868997 1426876792 /nfs/dbraw/zinc/87/67/92/1426876792.db2.gz VZECPIXMHFEDAI-VXGBXAGGSA-N -1 3 395.550 3.186 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000173906108 1426887167 /nfs/dbraw/zinc/88/71/67/1426887167.db2.gz PSZULMNURIIYAG-SFHVURJKSA-N -1 3 395.503 3.108 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000173957387 1426909125 /nfs/dbraw/zinc/90/91/25/1426909125.db2.gz WFJVRFFPKCWQEY-UHFFFAOYSA-N -1 3 389.370 3.227 20 0 GGADHM CCCN1CCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825328423 1426948260 /nfs/dbraw/zinc/94/82/60/1426948260.db2.gz SAGBPKBTSLMGSQ-HXUWFJFHSA-N -1 3 390.491 3.024 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3cccc(F)c3)n2)c1 ZINC000174033203 1426956892 /nfs/dbraw/zinc/95/68/92/1426956892.db2.gz HATAUSFNGHKJAM-GFCCVEGCSA-N -1 3 391.424 3.065 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(C)ccc3C)n2)c1 ZINC000174033687 1426957204 /nfs/dbraw/zinc/95/72/04/1426957204.db2.gz USVFKQWKLPIHLG-AWEZNQCLSA-N -1 3 387.461 3.402 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)c1 ZINC000174034673 1426958141 /nfs/dbraw/zinc/95/81/41/1426958141.db2.gz YXIPXNZDPNEYJK-LBPRGKRZSA-N -1 3 391.424 3.232 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3C)n2)c1 ZINC000174034540 1426958180 /nfs/dbraw/zinc/95/81/80/1426958180.db2.gz TUMJFRLKQOCKTA-CQSZACIVSA-N -1 3 387.461 3.234 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000174035465 1426958656 /nfs/dbraw/zinc/95/86/56/1426958656.db2.gz XTFRTYQDKGLFGN-VIFPVBQESA-N -1 3 393.387 3.305 20 0 GGADHM COc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000821817954 1426960170 /nfs/dbraw/zinc/96/01/70/1426960170.db2.gz DJJTVMBHISDISV-UHFFFAOYSA-N -1 3 395.463 3.120 20 0 GGADHM COc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821817954 1426960175 /nfs/dbraw/zinc/96/01/75/1426960175.db2.gz DJJTVMBHISDISV-UHFFFAOYSA-N -1 3 395.463 3.120 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1nc(-c2cccc(F)c2)no1 ZINC000174044215 1426966854 /nfs/dbraw/zinc/96/68/54/1426966854.db2.gz DYMWQJRUJYAXOO-GFCCVEGCSA-N -1 3 398.419 3.463 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(-c2cccc(F)c2)no1 ZINC000174044418 1426967271 /nfs/dbraw/zinc/96/72/71/1426967271.db2.gz RSBCXFBJAAZMKY-LBPRGKRZSA-N -1 3 387.436 3.404 20 0 GGADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1 ZINC000174046363 1426969489 /nfs/dbraw/zinc/96/94/89/1426969489.db2.gz QSQPZJMZCOCUMP-UHFFFAOYSA-N -1 3 376.478 3.039 20 0 GGADHM CCOc1ccccc1OCCN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825658285 1426974056 /nfs/dbraw/zinc/97/40/56/1426974056.db2.gz CXJNDIDEHTUORA-UHFFFAOYSA-N -1 3 391.475 3.434 20 0 GGADHM CCOc1ccccc1OCCN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825658285 1426974060 /nfs/dbraw/zinc/97/40/60/1426974060.db2.gz CXJNDIDEHTUORA-UHFFFAOYSA-N -1 3 391.475 3.434 20 0 GGADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000174055559 1426976230 /nfs/dbraw/zinc/97/62/30/1426976230.db2.gz GMQZPUJOTLJDAQ-UHFFFAOYSA-N -1 3 388.489 3.431 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1nc(C2CCCCC2)no1 ZINC000174066311 1426983901 /nfs/dbraw/zinc/98/39/01/1426983901.db2.gz OMAFCQBXCUSLOG-GFCCVEGCSA-N -1 3 377.466 3.092 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1nc(C2CCCCC2)no1 ZINC000174066846 1426984390 /nfs/dbraw/zinc/98/43/90/1426984390.db2.gz CCJGJVUGCIEGFN-OLZOCXBDSA-N -1 3 391.493 3.480 20 0 GGADHM Cc1cccc([C@@H]2CCN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)C2)c1 ZINC000826297965 1427006402 /nfs/dbraw/zinc/00/64/02/1427006402.db2.gz XXMBNKUDCHZYDN-GOSISDBHSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1cccc([C@@H]2CCN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)c1 ZINC000826297965 1427006408 /nfs/dbraw/zinc/00/64/08/1427006408.db2.gz XXMBNKUDCHZYDN-GOSISDBHSA-N -1 3 387.447 3.215 20 0 GGADHM O=c1[n-]c(=O)n(Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl ZINC000174126591 1427012727 /nfs/dbraw/zinc/01/27/27/1427012727.db2.gz OMFIFBIVABAICJ-UHFFFAOYSA-N -1 3 378.819 3.091 20 0 GGADHM C[C@@H]1SCCN(CCOc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000736303929 1427028821 /nfs/dbraw/zinc/02/88/21/1427028821.db2.gz UONKHLRWNOVKOG-HNAYVOBHSA-N -1 3 381.505 3.424 20 0 GGADHM C[C@@H]1SCCN(CCOc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000736303929 1427028830 /nfs/dbraw/zinc/02/88/30/1427028830.db2.gz UONKHLRWNOVKOG-HNAYVOBHSA-N -1 3 381.505 3.424 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000174208445 1427051791 /nfs/dbraw/zinc/05/17/91/1427051791.db2.gz KZAWYKKBFNGDGB-INIZCTEOSA-N -1 3 388.439 3.456 20 0 GGADHM Cc1ccc(-n2[n-]c(C(=O)N(CCN(C)C)CC3CCCCC3)cc2=O)cc1 ZINC000174219642 1427056446 /nfs/dbraw/zinc/05/64/46/1427056446.db2.gz GKWNBKRXMQRIMD-UHFFFAOYSA-N -1 3 384.524 3.058 20 0 GGADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000174302664 1427092917 /nfs/dbraw/zinc/09/29/17/1427092917.db2.gz MLBPJVOTZWNNDM-UHFFFAOYSA-N -1 3 395.425 3.261 20 0 GGADHM Fc1c(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1-c1nnn[n-]1 ZINC000826370909 1427106992 /nfs/dbraw/zinc/10/69/92/1427106992.db2.gz LFOSIKPFRWESCC-LJQANCHMSA-N -1 3 381.411 3.018 20 0 GGADHM Fc1c(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1-c1nn[n-]n1 ZINC000826370909 1427106999 /nfs/dbraw/zinc/10/69/99/1427106999.db2.gz LFOSIKPFRWESCC-LJQANCHMSA-N -1 3 381.411 3.018 20 0 GGADHM CCc1cc2c(CNc3ccc4c(c3)N(C)C(=O)CO4)cc(=O)oc2cc1[O-] ZINC000174397699 1427137677 /nfs/dbraw/zinc/13/76/77/1427137677.db2.gz ANQIQMBWJZHZBW-UHFFFAOYSA-N -1 3 380.400 3.028 20 0 GGADHM Cc1ccc(-n2[n-]c(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2=O)cc1 ZINC000174453803 1427163042 /nfs/dbraw/zinc/16/30/42/1427163042.db2.gz FJCHTSHMWNOVNO-GOSISDBHSA-N -1 3 396.516 3.102 20 0 GGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1n[n-]c(-c2ccco2)n1 ZINC000174572028 1427232258 /nfs/dbraw/zinc/23/22/58/1427232258.db2.gz FDYUSBLTQNBYSI-UHFFFAOYSA-N -1 3 384.783 3.339 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)n1 ZINC000174606152 1427257453 /nfs/dbraw/zinc/25/74/53/1427257453.db2.gz DTTNMFJYWLPKKE-NVXWUHKLSA-N -1 3 399.516 3.168 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000174609667 1427259573 /nfs/dbraw/zinc/25/95/73/1427259573.db2.gz WGIRTIIAHFDTAD-UHFFFAOYSA-N -1 3 381.407 3.144 20 0 GGADHM Cc1cc(C)n(-c2ccc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc2)n1 ZINC000174610220 1427260400 /nfs/dbraw/zinc/26/04/00/1427260400.db2.gz FHMVDKCMFADFKP-UHFFFAOYSA-N -1 3 390.487 3.153 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000174609932 1427260475 /nfs/dbraw/zinc/26/04/75/1427260475.db2.gz QMRMFSIELFSXDN-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM COc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4[O-])CC3)co2)cc1 ZINC000174613142 1427261792 /nfs/dbraw/zinc/26/17/92/1427261792.db2.gz IMXIVNSSLAPKQR-UHFFFAOYSA-N -1 3 393.443 3.014 20 0 GGADHM Cc1oc(-c2cccs2)nc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174613083 1427261990 /nfs/dbraw/zinc/26/19/90/1427261990.db2.gz ZKUNAPMYKABOFK-UHFFFAOYSA-N -1 3 383.473 3.375 20 0 GGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cn(CC(=O)C(C)(C)C)nn3)n2)s1 ZINC000174614654 1427263709 /nfs/dbraw/zinc/26/37/09/1427263709.db2.gz NVELMULNOHZBDA-UHFFFAOYSA-N -1 3 390.494 3.034 20 0 GGADHM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)nn1 ZINC000174622064 1427269019 /nfs/dbraw/zinc/26/90/19/1427269019.db2.gz OUHHCPYLNYQGBA-UHFFFAOYSA-N -1 3 390.513 3.120 20 0 GGADHM CCc1cc2c(CN3CCN(Cc4cccc(O)c4)CC3)cc(=O)oc2cc1[O-] ZINC000174663357 1427295311 /nfs/dbraw/zinc/29/53/11/1427295311.db2.gz QXTYKOUHNLQLNY-UHFFFAOYSA-N -1 3 394.471 3.084 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC3)ccc2C)cc1 ZINC000174675594 1427302671 /nfs/dbraw/zinc/30/26/71/1427302671.db2.gz HVXHLUVAWKKLSQ-UHFFFAOYSA-N -1 3 388.489 3.334 20 0 GGADHM C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736129704 1427319805 /nfs/dbraw/zinc/31/98/05/1427319805.db2.gz FGQDFVDCTCKUTB-KUHUBIRLSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736129704 1427319807 /nfs/dbraw/zinc/31/98/07/1427319807.db2.gz FGQDFVDCTCKUTB-KUHUBIRLSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@H]1CC[C@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)O1 ZINC000174705021 1427320461 /nfs/dbraw/zinc/32/04/61/1427320461.db2.gz VSJKEUYAYWOJDY-CMPLNLGQSA-N -1 3 394.415 3.363 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824554510 1427351359 /nfs/dbraw/zinc/35/13/59/1427351359.db2.gz PXQKGGZSCBUIGD-UONOGXRCSA-N -1 3 398.898 3.390 20 0 GGADHM CCCOc1ccc(CN(CCC)Cc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000825339197 1427382725 /nfs/dbraw/zinc/38/27/25/1427382725.db2.gz RFHMDWOMWDSGTO-UHFFFAOYSA-N -1 3 396.495 3.471 20 0 GGADHM CCCOc1ccc(CN(CCC)Cc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000825339197 1427382730 /nfs/dbraw/zinc/38/27/30/1427382730.db2.gz RFHMDWOMWDSGTO-UHFFFAOYSA-N -1 3 396.495 3.471 20 0 GGADHM C[C@H](NCCSCc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C ZINC000824605542 1427423875 /nfs/dbraw/zinc/42/38/75/1427423875.db2.gz JVJHOVHURCIUML-AWEZNQCLSA-N -1 3 393.520 3.337 20 0 GGADHM C[C@H](NCCSCc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C ZINC000824605542 1427423879 /nfs/dbraw/zinc/42/38/79/1427423879.db2.gz JVJHOVHURCIUML-AWEZNQCLSA-N -1 3 393.520 3.337 20 0 GGADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820684440 1427468548 /nfs/dbraw/zinc/46/85/48/1427468548.db2.gz PUNBMIPMZBFRNG-GJZGRUSLSA-N -1 3 392.463 3.470 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000174982136 1427478014 /nfs/dbraw/zinc/47/80/14/1427478014.db2.gz SPUUWBJEBFIVCR-BDJLRTHQSA-N -1 3 383.473 3.273 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@](C)(O)[C@H](C)c3ccccc3)c2)n1 ZINC000175011191 1427495735 /nfs/dbraw/zinc/49/57/35/1427495735.db2.gz RMIJSOHXNLJYKR-IQMFZBJNSA-N -1 3 391.471 3.493 20 0 GGADHM CCOc1ccccc1[C@H](CC)NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825653720 1427521952 /nfs/dbraw/zinc/52/19/52/1427521952.db2.gz IMSFDHICDGAAKQ-KRWDZBQOSA-N -1 3 395.463 3.293 20 0 GGADHM CCOc1ccccc1[C@H](CC)NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825653720 1427521953 /nfs/dbraw/zinc/52/19/53/1427521953.db2.gz IMSFDHICDGAAKQ-KRWDZBQOSA-N -1 3 395.463 3.293 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)CCOc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000821509498 1427526918 /nfs/dbraw/zinc/52/69/18/1427526918.db2.gz ITYZASRGNSGEFD-MRXNPFEDSA-N -1 3 384.509 3.274 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)CCOc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000821509498 1427526920 /nfs/dbraw/zinc/52/69/20/1427526920.db2.gz ITYZASRGNSGEFD-MRXNPFEDSA-N -1 3 384.509 3.274 20 0 GGADHM COc1cccc(-c2noc([C@H](C)NC(=O)NCc3ccc([O-])c(F)c3)n2)c1 ZINC000175189051 1427589594 /nfs/dbraw/zinc/58/95/94/1427589594.db2.gz BCLWUFGPSCHKQH-NSHDSACASA-N -1 3 386.383 3.150 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3ccc([O-])c(F)c3)n2)c1 ZINC000175189072 1427590187 /nfs/dbraw/zinc/59/01/87/1427590187.db2.gz BCLWUFGPSCHKQH-LLVKDONJSA-N -1 3 386.383 3.150 20 0 GGADHM CN(C)c1ccc(N2CCC(NC(=O)NCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000175192078 1427592043 /nfs/dbraw/zinc/59/20/43/1427592043.db2.gz SQVPPXHTABHAGU-UHFFFAOYSA-N -1 3 386.471 3.066 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(C)o1 ZINC000175194976 1427592862 /nfs/dbraw/zinc/59/28/62/1427592862.db2.gz VFWBTOXMKGJEQX-LLVKDONJSA-N -1 3 376.434 3.076 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccsc2)c(Cl)cc1Cl ZINC000175221015 1427611132 /nfs/dbraw/zinc/61/11/32/1427611132.db2.gz VKXOVTBILSUAMY-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000175242268 1427622513 /nfs/dbraw/zinc/62/25/13/1427622513.db2.gz QEQBIVBKSMPYGF-KRWDZBQOSA-N -1 3 389.814 3.352 20 0 GGADHM COc1ccccc1CC1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737151781 1427627975 /nfs/dbraw/zinc/62/79/75/1427627975.db2.gz FBGWIIOHSUHNEZ-UHFFFAOYSA-N -1 3 381.455 3.469 20 0 GGADHM COc1ccccc1CC1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737151781 1427627980 /nfs/dbraw/zinc/62/79/80/1427627980.db2.gz FBGWIIOHSUHNEZ-UHFFFAOYSA-N -1 3 381.455 3.469 20 0 GGADHM O=C(NCc1cc(Cl)ccc1OC(F)F)c1nnc2ccccc2c1[O-] ZINC000175270450 1427638625 /nfs/dbraw/zinc/63/86/25/1427638625.db2.gz QISKAPFBXFOKGE-UHFFFAOYSA-N -1 3 379.750 3.108 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983421 1427643962 /nfs/dbraw/zinc/64/39/62/1427643962.db2.gz HNGVXDRSEZUNBB-CHWSQXEVSA-N -1 3 382.493 3.266 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983421 1427643967 /nfs/dbraw/zinc/64/39/67/1427643967.db2.gz HNGVXDRSEZUNBB-CHWSQXEVSA-N -1 3 382.493 3.266 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3nc(C4CC4)oc3c2)c([O-])c1 ZINC000175279283 1427644360 /nfs/dbraw/zinc/64/43/60/1427644360.db2.gz ZAISNRZSGRFGLS-UHFFFAOYSA-N -1 3 379.416 3.478 20 0 GGADHM O=C1[C@H](N[C@H](c2ccccc2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476956 1427649329 /nfs/dbraw/zinc/64/93/29/1427649329.db2.gz SIVVTSUQVBWGCR-WOJBJXKFSA-N -1 3 388.475 3.103 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000175304430 1427662750 /nfs/dbraw/zinc/66/27/50/1427662750.db2.gz ULEKRKXFQYSUBH-UHFFFAOYSA-N -1 3 392.786 3.260 20 0 GGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000175303927 1427663148 /nfs/dbraw/zinc/66/31/48/1427663148.db2.gz WAUUHKQKUYDSME-INIZCTEOSA-N -1 3 384.451 3.085 20 0 GGADHM C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000175303944 1427663239 /nfs/dbraw/zinc/66/32/39/1427663239.db2.gz WAUUHKQKUYDSME-MRXNPFEDSA-N -1 3 384.451 3.085 20 0 GGADHM CCCOc1ccc(CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000175304381 1427663376 /nfs/dbraw/zinc/66/33/76/1427663376.db2.gz DNZWLYAGAYOFTE-UHFFFAOYSA-N -1 3 396.487 3.098 20 0 GGADHM O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000175305002 1427664378 /nfs/dbraw/zinc/66/43/78/1427664378.db2.gz XXMWFXBXIXHWRF-UHFFFAOYSA-N -1 3 393.418 3.125 20 0 GGADHM C[C@@H](NCc1cnc2ccc(Br)cn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437692 1427665661 /nfs/dbraw/zinc/66/56/61/1427665661.db2.gz BJDPCSCOTGIKGQ-LLVKDONJSA-N -1 3 398.268 3.128 20 0 GGADHM C[C@@H](NCc1cnc2ccc(Br)cn12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437692 1427665664 /nfs/dbraw/zinc/66/56/64/1427665664.db2.gz BJDPCSCOTGIKGQ-LLVKDONJSA-N -1 3 398.268 3.128 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncc(C)s2)c(Cl)cc1Cl ZINC000175311403 1427668269 /nfs/dbraw/zinc/66/82/69/1427668269.db2.gz XHIBICFAXVTMIV-UHFFFAOYSA-N -1 3 395.289 3.023 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529463 1427676843 /nfs/dbraw/zinc/67/68/43/1427676843.db2.gz GMKFKPUXRBABLR-RYUDHWBXSA-N -1 3 380.427 3.302 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529463 1427676850 /nfs/dbraw/zinc/67/68/50/1427676850.db2.gz GMKFKPUXRBABLR-RYUDHWBXSA-N -1 3 380.427 3.302 20 0 GGADHM Cc1ccc([C@H]2CSCCN2CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000737331333 1427677960 /nfs/dbraw/zinc/67/79/60/1427677960.db2.gz MBWZOBUIRHCWJN-GOSISDBHSA-N -1 3 381.505 3.344 20 0 GGADHM Cc1ccc([C@H]2CSCCN2CCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000737331333 1427677965 /nfs/dbraw/zinc/67/79/65/1427677965.db2.gz MBWZOBUIRHCWJN-GOSISDBHSA-N -1 3 381.505 3.344 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccco1 ZINC000175352653 1427699808 /nfs/dbraw/zinc/69/98/08/1427699808.db2.gz PUNOJLGAZDFKTM-INIZCTEOSA-N -1 3 399.415 3.475 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000823821017 1427702323 /nfs/dbraw/zinc/70/23/23/1427702323.db2.gz NOHGCESCEDEYGD-QGZVFWFLSA-N -1 3 392.301 3.022 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000823821017 1427702325 /nfs/dbraw/zinc/70/23/25/1427702325.db2.gz NOHGCESCEDEYGD-QGZVFWFLSA-N -1 3 392.301 3.022 20 0 GGADHM CC(C)=CCOc1cccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000175363673 1427708276 /nfs/dbraw/zinc/70/82/76/1427708276.db2.gz GOZTVKNABLBIPQ-UHFFFAOYSA-N -1 3 394.471 3.335 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000175363961 1427708305 /nfs/dbraw/zinc/70/83/05/1427708305.db2.gz PXCMUTDLLZKXLJ-MRXNPFEDSA-N -1 3 384.451 3.085 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000175363945 1427708578 /nfs/dbraw/zinc/70/85/78/1427708578.db2.gz PXCMUTDLLZKXLJ-INIZCTEOSA-N -1 3 384.451 3.085 20 0 GGADHM CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266204 1427734677 /nfs/dbraw/zinc/73/46/77/1427734677.db2.gz GSDCKYUKPBGRGL-CVEARBPZSA-N -1 3 392.507 3.345 20 0 GGADHM CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266204 1427734682 /nfs/dbraw/zinc/73/46/82/1427734682.db2.gz GSDCKYUKPBGRGL-CVEARBPZSA-N -1 3 392.507 3.345 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000826193291 1427770940 /nfs/dbraw/zinc/77/09/40/1427770940.db2.gz YZYSXVMCGJUSPP-UHFFFAOYSA-N -1 3 388.269 3.270 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000826193291 1427770942 /nfs/dbraw/zinc/77/09/42/1427770942.db2.gz YZYSXVMCGJUSPP-UHFFFAOYSA-N -1 3 388.269 3.270 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1 ZINC000175485508 1427781318 /nfs/dbraw/zinc/78/13/18/1427781318.db2.gz HZMFEPXHQDHRDI-IRXDYDNUSA-N -1 3 393.270 3.349 20 0 GGADHM C/C(=C\C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000175486473 1427782085 /nfs/dbraw/zinc/78/20/85/1427782085.db2.gz LAIIDBWNZQYBFG-ACCUITESSA-N -1 3 392.377 3.361 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c(C)o1 ZINC000175500648 1427791884 /nfs/dbraw/zinc/79/18/84/1427791884.db2.gz NZKCANOWBAQMSO-UHFFFAOYSA-N -1 3 390.383 3.243 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c(C)o1 ZINC000175588777 1427823554 /nfs/dbraw/zinc/82/35/54/1427823554.db2.gz HNJFFZYOYHYQPB-NHYWBVRUSA-N -1 3 392.477 3.017 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(N2CCOCC2)c1 ZINC000826288304 1427856451 /nfs/dbraw/zinc/85/64/51/1427856451.db2.gz ANNRSBNRDVEJAB-HNNXBMFYSA-N -1 3 396.470 3.002 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(N2CCOCC2)c1 ZINC000826288304 1427856458 /nfs/dbraw/zinc/85/64/58/1427856458.db2.gz ANNRSBNRDVEJAB-HNNXBMFYSA-N -1 3 396.470 3.002 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1F ZINC000175696423 1427861671 /nfs/dbraw/zinc/86/16/71/1427861671.db2.gz KTCZFBLFETUHRE-UHFFFAOYSA-N -1 3 398.459 3.253 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(Cc2ccccc2)no1 ZINC000175704818 1427865070 /nfs/dbraw/zinc/86/50/70/1427865070.db2.gz FOUPQYSTYJCKSN-AWEZNQCLSA-N -1 3 383.473 3.189 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1nc(Cc2ccccc2)no1 ZINC000175707136 1427865531 /nfs/dbraw/zinc/86/55/31/1427865531.db2.gz ZRYGPDFYXDPKCF-KGLIPLIRSA-N -1 3 399.472 3.023 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1F ZINC000175723228 1427870396 /nfs/dbraw/zinc/87/03/96/1427870396.db2.gz NDRKBMZMVSFMJU-UHFFFAOYSA-N -1 3 389.408 3.005 20 0 GGADHM CCCc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[nH]n1 ZINC000175767649 1427885257 /nfs/dbraw/zinc/88/52/57/1427885257.db2.gz HFCYNBRGCFWFPN-UHFFFAOYSA-N -1 3 390.871 3.212 20 0 GGADHM O=C(CC1CCOCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175769090 1427886071 /nfs/dbraw/zinc/88/60/71/1427886071.db2.gz UQUMBJQLENNKSD-UHFFFAOYSA-N -1 3 380.872 3.039 20 0 GGADHM CCCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000175775222 1427888310 /nfs/dbraw/zinc/88/83/10/1427888310.db2.gz NFALBGSIMJRQED-UHFFFAOYSA-N -1 3 380.441 3.165 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529462 1427888610 /nfs/dbraw/zinc/88/86/10/1427888610.db2.gz GMKFKPUXRBABLR-NWDGAFQWSA-N -1 3 380.427 3.302 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529462 1427888615 /nfs/dbraw/zinc/88/86/15/1427888615.db2.gz GMKFKPUXRBABLR-NWDGAFQWSA-N -1 3 380.427 3.302 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)c(F)cc1F ZINC000175785087 1427891933 /nfs/dbraw/zinc/89/19/33/1427891933.db2.gz BGEPHDOAECSMBR-UHFFFAOYSA-N -1 3 396.337 3.088 20 0 GGADHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)C1 ZINC000175792249 1427894732 /nfs/dbraw/zinc/89/47/32/1427894732.db2.gz NZEQJPXKCUGFMG-CQSZACIVSA-N -1 3 396.459 3.087 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC2CCCC2)c(C)o1 ZINC000175803406 1427898692 /nfs/dbraw/zinc/89/86/92/1427898692.db2.gz TVYFIUONIFBMMK-UHFFFAOYSA-N -1 3 378.450 3.070 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2oc3ccccc3c2C)c(C)o1 ZINC000175803278 1427898742 /nfs/dbraw/zinc/89/87/42/1427898742.db2.gz GDILAJJDZGTAPL-LLVKDONJSA-N -1 3 376.434 3.042 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)ccc1F ZINC000175808611 1427902153 /nfs/dbraw/zinc/90/21/53/1427902153.db2.gz QEPSDLOWMVTVAJ-SFHVURJKSA-N -1 3 388.464 3.026 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)c(F)cc1F ZINC000175810065 1427902884 /nfs/dbraw/zinc/90/28/84/1427902884.db2.gz YDVLNRYEKUBIJC-LBPRGKRZSA-N -1 3 393.415 3.287 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)c(F)cc1F ZINC000175809463 1427903486 /nfs/dbraw/zinc/90/34/86/1427903486.db2.gz DJBNQGYDNSRWTM-GFCCVEGCSA-N -1 3 393.415 3.287 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccccc2)c(C)o1 ZINC000175815311 1427907095 /nfs/dbraw/zinc/90/70/95/1427907095.db2.gz ZRIIRZVURGLELB-KRWDZBQOSA-N -1 3 376.478 3.254 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000826282896 1427916063 /nfs/dbraw/zinc/91/60/63/1427916063.db2.gz FKHYZUYDWPNDHI-CYBMUJFWSA-N -1 3 384.509 3.451 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000826282896 1427916065 /nfs/dbraw/zinc/91/60/65/1427916065.db2.gz FKHYZUYDWPNDHI-CYBMUJFWSA-N -1 3 384.509 3.451 20 0 GGADHM Cc1nccn1CCCCNC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000175834794 1427918674 /nfs/dbraw/zinc/91/86/74/1427918674.db2.gz OAQXMUWLMLQSPA-UHFFFAOYSA-N -1 3 398.536 3.408 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094827 1427939182 /nfs/dbraw/zinc/93/91/82/1427939182.db2.gz IQUOZLXKPSASAC-KURKYZTESA-N -1 3 383.496 3.342 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094827 1427939185 /nfs/dbraw/zinc/93/91/85/1427939185.db2.gz IQUOZLXKPSASAC-KURKYZTESA-N -1 3 383.496 3.342 20 0 GGADHM Cc1nsc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n1 ZINC000175873553 1427945523 /nfs/dbraw/zinc/94/55/23/1427945523.db2.gz PFBAULNKNGOKFI-UHFFFAOYSA-N -1 3 396.472 3.307 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(C)(C)C)ccc1F ZINC000175899232 1427959037 /nfs/dbraw/zinc/95/90/37/1427959037.db2.gz YTFZVQBWZWYGPK-UHFFFAOYSA-N -1 3 380.441 3.163 20 0 GGADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@@H](C)c1ccccc1 ZINC000175898777 1427959174 /nfs/dbraw/zinc/95/91/74/1427959174.db2.gz RXOZNIHICNGHJU-AWEZNQCLSA-N -1 3 378.494 3.500 20 0 GGADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000175900758 1427959936 /nfs/dbraw/zinc/95/99/36/1427959936.db2.gz CWAQHXFKIBBWHI-UHFFFAOYSA-N -1 3 383.799 3.074 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c(C)o1 ZINC000175901229 1427960451 /nfs/dbraw/zinc/96/04/51/1427960451.db2.gz VVEJNPLOZMZAFY-UHFFFAOYSA-N -1 3 391.474 3.236 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2cccc(Cl)c2)ccc1F ZINC000175908707 1427965374 /nfs/dbraw/zinc/96/53/74/1427965374.db2.gz HGBOIGQCGVMXNG-UHFFFAOYSA-N -1 3 384.860 3.052 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1F ZINC000175908517 1427965456 /nfs/dbraw/zinc/96/54/56/1427965456.db2.gz RNKNGCDDASSNRZ-OAHLLOKOSA-N -1 3 380.441 3.084 20 0 GGADHM CCC[C@@H]1CCc2nc(NC(=O)c3cc(S(=O)(=O)[N-]C)oc3C)sc2C1 ZINC000175919473 1427972197 /nfs/dbraw/zinc/97/21/97/1427972197.db2.gz NUCLZMHGEKTQDO-LLVKDONJSA-N -1 3 397.522 3.110 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2-c2ccccc2)c(C)o1 ZINC000175936358 1427983133 /nfs/dbraw/zinc/98/31/33/1427983133.db2.gz XELZSDKOZWFGCB-UHFFFAOYSA-N -1 3 398.484 3.435 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)c(C)o1 ZINC000175936264 1427983386 /nfs/dbraw/zinc/98/33/86/1427983386.db2.gz ZETIJBHUPJSXEI-UHFFFAOYSA-N -1 3 396.896 3.349 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3nnc4ccccc4c3[O-])cc2)n1 ZINC000175940768 1427985885 /nfs/dbraw/zinc/98/58/85/1427985885.db2.gz YGAXSWYMPYQBNX-HNNXBMFYSA-N -1 3 387.443 3.217 20 0 GGADHM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1nnc2ccccc2c1[O-] ZINC000175970364 1428005073 /nfs/dbraw/zinc/00/50/73/1428005073.db2.gz YCTICPINNWSYSZ-UHFFFAOYSA-N -1 3 398.325 3.432 20 0 GGADHM CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(OC)cc1 ZINC000175989269 1428015926 /nfs/dbraw/zinc/01/59/26/1428015926.db2.gz KPGKUBAJUCOHPU-QGZVFWFLSA-N -1 3 394.493 3.166 20 0 GGADHM CCCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(OC)cc1 ZINC000175989256 1428015993 /nfs/dbraw/zinc/01/59/93/1428015993.db2.gz KPGKUBAJUCOHPU-KRWDZBQOSA-N -1 3 394.493 3.166 20 0 GGADHM CCN(Cc1cccs1)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825439592 1428042545 /nfs/dbraw/zinc/04/25/45/1428042545.db2.gz GICOFTIQZUNHJA-UHFFFAOYSA-N -1 3 379.493 3.351 20 0 GGADHM CCN(Cc1cccs1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825439592 1428042551 /nfs/dbraw/zinc/04/25/51/1428042551.db2.gz GICOFTIQZUNHJA-UHFFFAOYSA-N -1 3 379.493 3.351 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC(C)(C)CC(C)C)c2)n1 ZINC000176041233 1428043815 /nfs/dbraw/zinc/04/38/15/1428043815.db2.gz BQAMGRJXQAVNJM-UHFFFAOYSA-N -1 3 398.507 3.126 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2ccccc2C)c(C)o1 ZINC000176064705 1428062683 /nfs/dbraw/zinc/06/26/83/1428062683.db2.gz DQBDEVVQJJAAPF-QGZVFWFLSA-N -1 3 378.494 3.322 20 0 GGADHM CCC[C@@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825242292 1428072680 /nfs/dbraw/zinc/07/26/80/1428072680.db2.gz NIQTXJKSOAUSGW-HNAYVOBHSA-N -1 3 378.480 3.175 20 0 GGADHM CCC[C@@H](NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825242292 1428072686 /nfs/dbraw/zinc/07/26/86/1428072686.db2.gz NIQTXJKSOAUSGW-HNAYVOBHSA-N -1 3 378.480 3.175 20 0 GGADHM CC[C@@H](C)Oc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000176132265 1428106203 /nfs/dbraw/zinc/10/62/03/1428106203.db2.gz MUEFXLZPLODBKX-MRXNPFEDSA-N -1 3 382.460 3.168 20 0 GGADHM CC[C@H](C)Oc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000176132280 1428106651 /nfs/dbraw/zinc/10/66/51/1428106651.db2.gz MUEFXLZPLODBKX-INIZCTEOSA-N -1 3 382.460 3.168 20 0 GGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176135373 1428109206 /nfs/dbraw/zinc/10/92/06/1428109206.db2.gz DVAGKAUGGBJDPV-INIZCTEOSA-N -1 3 394.493 3.409 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)c(C)o1 ZINC000176169287 1428134988 /nfs/dbraw/zinc/13/49/88/1428134988.db2.gz YTBHCURRQSLWLJ-KRWDZBQOSA-N -1 3 376.478 3.172 20 0 GGADHM CCC[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000176170499 1428136394 /nfs/dbraw/zinc/13/63/94/1428136394.db2.gz IDYKOGLCAMHHLS-MRXNPFEDSA-N -1 3 378.494 3.027 20 0 GGADHM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C(F)(F)F)c1 ZINC000176186996 1428150497 /nfs/dbraw/zinc/15/04/97/1428150497.db2.gz DZTCEBFLAUOLRB-UHFFFAOYSA-N -1 3 397.397 3.333 20 0 GGADHM C[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824625842 1428151583 /nfs/dbraw/zinc/15/15/83/1428151583.db2.gz KWPZCEUWLUWBDX-NSHDSACASA-N -1 3 378.358 3.054 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c(C)o1 ZINC000176206133 1428166603 /nfs/dbraw/zinc/16/66/03/1428166603.db2.gz HCVBSGMPQFDHFM-ABAIWWIYSA-N -1 3 380.466 3.011 20 0 GGADHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC[C@H]1c1ccccc1 ZINC000176212360 1428171770 /nfs/dbraw/zinc/17/17/70/1428171770.db2.gz WEFQLSGEAMMNOM-DOTOQJQBSA-N -1 3 390.505 3.152 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)c(C)o1 ZINC000176224538 1428177539 /nfs/dbraw/zinc/17/75/39/1428177539.db2.gz XLOWJHRXICWGNH-UHFFFAOYSA-N -1 3 396.468 3.338 20 0 GGADHM CC(C)(C)C[C@@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824085872 1428201105 /nfs/dbraw/zinc/20/11/05/1428201105.db2.gz HMGZPHGXDKVXAX-LJQANCHMSA-N -1 3 392.507 3.250 20 0 GGADHM CC(C)(C)C[C@@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824085872 1428201109 /nfs/dbraw/zinc/20/11/09/1428201109.db2.gz HMGZPHGXDKVXAX-LJQANCHMSA-N -1 3 392.507 3.250 20 0 GGADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000180172296 1429779683 /nfs/dbraw/zinc/77/96/83/1429779683.db2.gz ZTTZPTOJHKYYIO-ZDUSSCGKSA-N -1 3 380.452 3.323 20 0 GGADHM CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825067813 1429797946 /nfs/dbraw/zinc/79/79/46/1429797946.db2.gz NPLHFFABUNSPSI-CABCVRRESA-N -1 3 378.480 3.099 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000180228165 1429808166 /nfs/dbraw/zinc/80/81/66/1429808166.db2.gz UNXPNMLKTOROEP-UHFFFAOYSA-N -1 3 389.795 3.101 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1F ZINC000180290429 1429826277 /nfs/dbraw/zinc/82/62/77/1429826277.db2.gz KRCYDTCXXNZJNM-UHFFFAOYSA-N -1 3 379.196 3.115 20 0 GGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc4c(cc3C)OCO4)cc2F)c1 ZINC000180358240 1429845290 /nfs/dbraw/zinc/84/52/90/1429845290.db2.gz AYXBJVORODPXAY-UHFFFAOYSA-N -1 3 389.408 3.158 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n1 ZINC000180384214 1429852342 /nfs/dbraw/zinc/85/23/42/1429852342.db2.gz QSLMZMZKMJYPKU-UHFFFAOYSA-N -1 3 393.234 3.043 20 0 GGADHM COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3cccc(Cl)c3[O-])C2=O)c1 ZINC000180627029 1429940066 /nfs/dbraw/zinc/94/00/66/1429940066.db2.gz BOGTZGMHMRWWEC-GOSISDBHSA-N -1 3 390.867 3.300 20 0 GGADHM Cc1csc(C2(NCCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCC2)n1 ZINC000822410209 1429975702 /nfs/dbraw/zinc/97/57/02/1429975702.db2.gz ZSTDRBNMRJEIOX-UHFFFAOYSA-N -1 3 397.508 3.019 20 0 GGADHM C[C@@H](N[C@@H](C)COc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824441350 1430005079 /nfs/dbraw/zinc/00/50/79/1430005079.db2.gz OWIXNHURHLINND-WDEREUQCSA-N -1 3 377.370 3.402 20 0 GGADHM C[C@@H](N[C@@H](C)COc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824441350 1430005086 /nfs/dbraw/zinc/00/50/86/1430005086.db2.gz OWIXNHURHLINND-WDEREUQCSA-N -1 3 377.370 3.402 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000180744187 1430012957 /nfs/dbraw/zinc/01/29/57/1430012957.db2.gz VROZYEXKQQMBSM-WBVHZDCISA-N -1 3 389.370 3.360 20 0 GGADHM CC(C)[C@H](N[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736132461 1430015390 /nfs/dbraw/zinc/01/53/90/1430015390.db2.gz OJMDWKBTXOOSRA-ACJLOTCBSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@H](N[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736132461 1430015394 /nfs/dbraw/zinc/01/53/94/1430015394.db2.gz OJMDWKBTXOOSRA-ACJLOTCBSA-N -1 3 382.443 3.320 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000180819615 1430056714 /nfs/dbraw/zinc/05/67/14/1430056714.db2.gz MVKIOWNTOHYISP-INIZCTEOSA-N -1 3 381.436 3.059 20 0 GGADHM O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000180854349 1430071392 /nfs/dbraw/zinc/07/13/92/1430071392.db2.gz ZYGFGKKFLYEPCH-UHFFFAOYSA-N -1 3 379.334 3.250 20 0 GGADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nnc2ccccc2c1[O-] ZINC000180903979 1430100157 /nfs/dbraw/zinc/10/01/57/1430100157.db2.gz JXTLZXWHQXZZEX-UHFFFAOYSA-N -1 3 399.332 3.380 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2sc3cccc(F)c3c2COC)[n-]n1 ZINC000180929384 1430120470 /nfs/dbraw/zinc/12/04/70/1430120470.db2.gz KIBHYYVYVCVQGA-UHFFFAOYSA-N -1 3 377.397 3.339 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2sc3cccc(F)c3c2COC)n[n-]1 ZINC000180929384 1430120477 /nfs/dbraw/zinc/12/04/77/1430120477.db2.gz KIBHYYVYVCVQGA-UHFFFAOYSA-N -1 3 377.397 3.339 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)[n-]n1 ZINC000180929645 1430120868 /nfs/dbraw/zinc/12/08/68/1430120868.db2.gz QKUMWNXYUXDBDB-UHFFFAOYSA-N -1 3 391.387 3.284 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n[n-]1 ZINC000180929645 1430120874 /nfs/dbraw/zinc/12/08/74/1430120874.db2.gz QKUMWNXYUXDBDB-UHFFFAOYSA-N -1 3 391.387 3.284 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2cccc(F)c2)N(C)C)c1-c1nn[n-]n1 ZINC000826239711 1430121047 /nfs/dbraw/zinc/12/10/47/1430121047.db2.gz OGZCLEJQGJFIBR-AWEZNQCLSA-N -1 3 375.839 3.077 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2cccc(F)c2)N(C)C)c1-c1nnn[n-]1 ZINC000826239711 1430121050 /nfs/dbraw/zinc/12/10/50/1430121050.db2.gz OGZCLEJQGJFIBR-AWEZNQCLSA-N -1 3 375.839 3.077 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3sc(N(CC)CC)nc3s2)[n-]n1 ZINC000180938282 1430125300 /nfs/dbraw/zinc/12/53/00/1430125300.db2.gz DACAFWJFUISCLX-UHFFFAOYSA-N -1 3 393.494 3.356 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3sc(N(CC)CC)nc3s2)n[n-]1 ZINC000180938282 1430125305 /nfs/dbraw/zinc/12/53/05/1430125305.db2.gz DACAFWJFUISCLX-UHFFFAOYSA-N -1 3 393.494 3.356 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)[n-]n1 ZINC000180938619 1430125346 /nfs/dbraw/zinc/12/53/46/1430125346.db2.gz OSDMXXUOSCAXMF-UHFFFAOYSA-N -1 3 375.388 3.178 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)n[n-]1 ZINC000180938619 1430125351 /nfs/dbraw/zinc/12/53/51/1430125351.db2.gz OSDMXXUOSCAXMF-UHFFFAOYSA-N -1 3 375.388 3.178 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(OCc3ccccc3F)CC2)n1 ZINC000826262590 1430127311 /nfs/dbraw/zinc/12/73/11/1430127311.db2.gz SOUSJIULYKYUSZ-UHFFFAOYSA-N -1 3 382.443 3.203 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(OCc3ccccc3F)CC2)n1 ZINC000826262590 1430127315 /nfs/dbraw/zinc/12/73/15/1430127315.db2.gz SOUSJIULYKYUSZ-UHFFFAOYSA-N -1 3 382.443 3.203 20 0 GGADHM Brc1cccc(C2(NCc3cc(-c4nn[n-]n4)cs3)CC2)c1 ZINC000819688034 1430132953 /nfs/dbraw/zinc/13/29/53/1430132953.db2.gz BMBMAHVYPIOAKA-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM Brc1cccc(C2(NCc3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000819688034 1430132957 /nfs/dbraw/zinc/13/29/57/1430132957.db2.gz BMBMAHVYPIOAKA-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000737470352 1430135790 /nfs/dbraw/zinc/13/57/90/1430135790.db2.gz HXQGDVOGUQOHOK-JTQLQIEISA-N -1 3 391.526 3.023 20 0 GGADHM CCc1nc2ccccc2n1C1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000180959789 1430136463 /nfs/dbraw/zinc/13/64/63/1430136463.db2.gz QIRYPLGCBDASJC-UHFFFAOYSA-N -1 3 392.503 3.484 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000821000582 1430138869 /nfs/dbraw/zinc/13/88/69/1430138869.db2.gz GTWQDLQJRHBDRN-JCGVRSQUSA-N -1 3 392.463 3.388 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2NC1=O ZINC000821000582 1430138871 /nfs/dbraw/zinc/13/88/71/1430138871.db2.gz GTWQDLQJRHBDRN-JCGVRSQUSA-N -1 3 392.463 3.388 20 0 GGADHM CCCCC[C@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccccc1 ZINC000736441339 1430159123 /nfs/dbraw/zinc/15/91/23/1430159123.db2.gz PSPOHBQZYYZONN-SFHVURJKSA-N -1 3 376.468 3.321 20 0 GGADHM CCCCC[C@H](NCc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccccc1 ZINC000736441339 1430159126 /nfs/dbraw/zinc/15/91/26/1430159126.db2.gz PSPOHBQZYYZONN-SFHVURJKSA-N -1 3 376.468 3.321 20 0 GGADHM Cc1ccc([C@H]2CSCCN2CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737333366 1430167081 /nfs/dbraw/zinc/16/70/81/1430167081.db2.gz UJOVXKMNEQRYBJ-LJQANCHMSA-N -1 3 381.505 3.344 20 0 GGADHM CC(C)(CCCc1ccccc1)CN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735665118 1430189574 /nfs/dbraw/zinc/18/95/74/1430189574.db2.gz SCPXVEICIYFAHK-IBGZPJMESA-N -1 3 392.507 3.032 20 0 GGADHM CC(C)(CCCc1ccccc1)CN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735665118 1430189578 /nfs/dbraw/zinc/18/95/78/1430189578.db2.gz SCPXVEICIYFAHK-IBGZPJMESA-N -1 3 392.507 3.032 20 0 GGADHM C=CCCC[C@H](C)NC(=O)N[N-]C(=O)c1cc(OC)ccc1Br ZINC000181120132 1430217022 /nfs/dbraw/zinc/21/70/22/1430217022.db2.gz JKWPZJZJJFSHNB-NSHDSACASA-N -1 3 384.274 3.147 20 0 GGADHM O=c1nc(-c2cccc(OCCO)n2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000181152738 1430228668 /nfs/dbraw/zinc/22/86/68/1430228668.db2.gz KAKPIAFGGXJRTF-UHFFFAOYSA-N -1 3 383.404 3.224 20 0 GGADHM C[C@@H](CCCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000181300861 1430267356 /nfs/dbraw/zinc/26/73/56/1430267356.db2.gz SOKCJEHNACXWDQ-SFHVURJKSA-N -1 3 380.488 3.336 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@H]1CCCCO1 ZINC000181371870 1430283960 /nfs/dbraw/zinc/28/39/60/1430283960.db2.gz QSHXUAROEOUSGK-NHCUHLMSSA-N -1 3 396.487 3.329 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000181396755 1430288536 /nfs/dbraw/zinc/28/85/36/1430288536.db2.gz GAIAUNPNISJXKW-UHFFFAOYSA-N -1 3 395.033 3.172 20 0 GGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1nnc2ccccc2c1[O-] ZINC000181607599 1430327129 /nfs/dbraw/zinc/32/71/29/1430327129.db2.gz OOQAUJJILYQZNU-UHFFFAOYSA-N -1 3 383.367 3.379 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000181614981 1430328321 /nfs/dbraw/zinc/32/83/21/1430328321.db2.gz FZIDEMZTRQZGAW-MRVPVSSYSA-N -1 3 382.346 3.183 20 0 GGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000181677652 1430340173 /nfs/dbraw/zinc/34/01/73/1430340173.db2.gz TZDBYUJLJDNFMW-UHFFFAOYSA-N -1 3 384.404 3.480 20 0 GGADHM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc2N1 ZINC000181704297 1430344389 /nfs/dbraw/zinc/34/43/89/1430344389.db2.gz WPKFVLNZHBBGBH-UHFFFAOYSA-N -1 3 396.415 3.406 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nccn2CCc2ccccc2)cc1F ZINC000181720220 1430347099 /nfs/dbraw/zinc/34/70/99/1430347099.db2.gz FBXPRCYSUFPRPM-UHFFFAOYSA-N -1 3 391.443 3.191 20 0 GGADHM O=S(=O)([N-]Cc1nccn1CCc1ccccc1)c1cc(F)ccc1Cl ZINC000181719293 1430347252 /nfs/dbraw/zinc/34/72/52/1430347252.db2.gz REWQCRGAUCHMIA-UHFFFAOYSA-N -1 3 393.871 3.397 20 0 GGADHM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000181786752 1430360187 /nfs/dbraw/zinc/36/01/87/1430360187.db2.gz BDFXLZSHNSWLKR-UHFFFAOYSA-N -1 3 375.425 3.141 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)n[n-]2)o1 ZINC000181879803 1430376749 /nfs/dbraw/zinc/37/67/49/1430376749.db2.gz GPVRPESMLPIREH-CYBMUJFWSA-N -1 3 385.811 3.018 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)n[n-]2)o1 ZINC000181879783 1430376912 /nfs/dbraw/zinc/37/69/12/1430376912.db2.gz GPVRPESMLPIREH-ZDUSSCGKSA-N -1 3 385.811 3.018 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)n[n-]2)o1 ZINC000181883494 1430377428 /nfs/dbraw/zinc/37/74/28/1430377428.db2.gz ZJNBDBNAPAPYAU-CZUORRHYSA-N -1 3 399.838 3.185 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3cccc(F)c3F)nc(=O)c2c1C ZINC000181981661 1430391828 /nfs/dbraw/zinc/39/18/28/1430391828.db2.gz SAEFSHHTRYBZBL-SECBINFHSA-N -1 3 393.415 3.209 20 0 GGADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cn(Cc2cccc(F)c2)nn1 ZINC000182121392 1430415559 /nfs/dbraw/zinc/41/55/59/1430415559.db2.gz SXVMWDAKHKQHMB-UHFFFAOYSA-N -1 3 386.437 3.298 20 0 GGADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1-c1nnnn1C1CC1 ZINC000182265799 1430439604 /nfs/dbraw/zinc/43/96/04/1430439604.db2.gz DQRBNOYLQXGBIO-UHFFFAOYSA-N -1 3 386.415 3.077 20 0 GGADHM CCN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCN(c2ccccc2)C1=O ZINC000182317068 1430447650 /nfs/dbraw/zinc/44/76/50/1430447650.db2.gz HYCWYMJDRSCKNS-IBGZPJMESA-N -1 3 378.428 3.126 20 0 GGADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000182369211 1430454258 /nfs/dbraw/zinc/45/42/58/1430454258.db2.gz DULPFDBJWOWPOX-UHFFFAOYSA-N -1 3 380.853 3.470 20 0 GGADHM CN(C[C@@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12)C(=O)OC(C)(C)C ZINC000182371414 1430454697 /nfs/dbraw/zinc/45/46/97/1430454697.db2.gz LLPMKGSLASPNFX-HNNXBMFYSA-N -1 3 388.464 3.330 20 0 GGADHM O=C(NC[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000182385111 1430456687 /nfs/dbraw/zinc/45/66/87/1430456687.db2.gz CFEFFGKFOVLYHY-SFHVURJKSA-N -1 3 392.455 3.283 20 0 GGADHM CC[C@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000182388507 1430457737 /nfs/dbraw/zinc/45/77/37/1430457737.db2.gz SBAIVGSZGMUJGU-PWSUYJOCSA-N -1 3 394.415 3.221 20 0 GGADHM CC[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000182388539 1430457857 /nfs/dbraw/zinc/45/78/57/1430457857.db2.gz SBAIVGSZGMUJGU-JQWIXIFHSA-N -1 3 394.415 3.221 20 0 GGADHM CCOc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000182406574 1430461830 /nfs/dbraw/zinc/46/18/30/1430461830.db2.gz BONBZFBHZCCMHW-UHFFFAOYSA-N -1 3 388.851 3.043 20 0 GGADHM COCCOCCN(Cc1ccccc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182453384 1430470468 /nfs/dbraw/zinc/47/04/68/1430470468.db2.gz CSXCUHCZHSLYPE-UHFFFAOYSA-N -1 3 383.444 3.164 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)[C@H]4CCCC[C@@H]43)nc(=O)c2c1C ZINC000182486924 1430475793 /nfs/dbraw/zinc/47/57/93/1430475793.db2.gz PREVGRCUCYBONS-UHTWSYAYSA-N -1 3 375.494 3.090 20 0 GGADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)ccc2[nH]1 ZINC000182500651 1430479076 /nfs/dbraw/zinc/47/90/76/1430479076.db2.gz VYVKWRGSJKVIBK-GFCCVEGCSA-N -1 3 384.457 3.215 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc(OCC(F)F)cc1 ZINC000182532380 1430484661 /nfs/dbraw/zinc/48/46/61/1430484661.db2.gz XZXYRGZLPRTQSS-UHFFFAOYSA-N -1 3 397.378 3.456 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nn1-c1cc(C)cc(C)c1 ZINC000182532661 1430485089 /nfs/dbraw/zinc/48/50/89/1430485089.db2.gz HTYHWEOOCINRDF-UHFFFAOYSA-N -1 3 379.464 3.069 20 0 GGADHM CC[C@H](CSC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000182574491 1430495771 /nfs/dbraw/zinc/49/57/71/1430495771.db2.gz HPQYPDCQXXQCTB-CQSZACIVSA-N -1 3 396.509 3.498 20 0 GGADHM CCOC(=O)C[C@@H](C)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000182642236 1430508236 /nfs/dbraw/zinc/50/82/36/1430508236.db2.gz YZCFLUCBOWUAMF-LLVKDONJSA-N -1 3 375.450 3.018 20 0 GGADHM O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc2n[n-]nc21 ZINC000182688105 1430517479 /nfs/dbraw/zinc/51/74/79/1430517479.db2.gz JWOZOXHTIVTWGS-UHFFFAOYSA-N -1 3 379.401 3.105 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1ccc(F)c(F)c1 ZINC000182763918 1430536034 /nfs/dbraw/zinc/53/60/34/1430536034.db2.gz FJBAGHRLZKPQLK-UHFFFAOYSA-N -1 3 388.143 3.333 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(Cl)cc2F)o1 ZINC000182768924 1430536434 /nfs/dbraw/zinc/53/64/34/1430536434.db2.gz BFBYUURKJXSPOL-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM O=S(=O)([N-]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1F ZINC000182880567 1430560876 /nfs/dbraw/zinc/56/08/76/1430560876.db2.gz NOFNDNNRGZYCLR-UHFFFAOYSA-N -1 3 397.378 3.065 20 0 GGADHM Cc1csc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000182947373 1430578334 /nfs/dbraw/zinc/57/83/34/1430578334.db2.gz LZCHJEZDIXHKGC-GOSISDBHSA-N -1 3 395.484 3.335 20 0 GGADHM CC(C)(C)[C@H](CCO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182981326 1430584923 /nfs/dbraw/zinc/58/49/23/1430584923.db2.gz GKTFJSHLXCBQSE-PMACEKPBSA-N -1 3 398.503 3.167 20 0 GGADHM CC(C)(C)[C@@H](CCO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182981307 1430584938 /nfs/dbraw/zinc/58/49/38/1430584938.db2.gz GKTFJSHLXCBQSE-VQTJNVASSA-N -1 3 398.503 3.167 20 0 GGADHM CC(C)(C)OC(=O)NCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000182995463 1430588128 /nfs/dbraw/zinc/58/81/28/1430588128.db2.gz DEMNOVWMOUAXOX-UHFFFAOYSA-N -1 3 380.869 3.062 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000183042912 1430598986 /nfs/dbraw/zinc/59/89/86/1430598986.db2.gz QMOVHUGNVSNFID-UHFFFAOYSA-N -1 3 381.379 3.077 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cc(Cl)ccc2F)o1 ZINC000183043757 1430599336 /nfs/dbraw/zinc/59/93/36/1430599336.db2.gz ZJYBNCKERUGBMJ-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM CN(Cc1ccncc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183048144 1430600012 /nfs/dbraw/zinc/60/00/12/1430600012.db2.gz NAYDZUFVAIPSRL-NRFANRHFSA-N -1 3 389.455 3.307 20 0 GGADHM Cc1cnc([C@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000183054088 1430601057 /nfs/dbraw/zinc/60/10/57/1430601057.db2.gz BATBAZNCPQBIDP-JTQLQIEISA-N -1 3 386.433 3.197 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccnc1 ZINC000183059093 1430602580 /nfs/dbraw/zinc/60/25/80/1430602580.db2.gz CIJRSOQNCVZFLY-OAQYLSRUSA-N -1 3 389.455 3.007 20 0 GGADHM CCc1cc2c(CN[C@@H](C[S@](C)=O)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000183147275 1430629265 /nfs/dbraw/zinc/62/92/65/1430629265.db2.gz JRZGGIJKPQYZJQ-MYUZEXMDSA-N -1 3 385.485 3.270 20 0 GGADHM CCc1cc2c(CN[C@H](C[S@](C)=O)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000183147294 1430629371 /nfs/dbraw/zinc/62/93/71/1430629371.db2.gz JRZGGIJKPQYZJQ-CLYVBNDRSA-N -1 3 385.485 3.270 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2OCC(F)F)c([O-])c1 ZINC000183279946 1430668587 /nfs/dbraw/zinc/66/85/87/1430668587.db2.gz MLAHTRIYYKRXDH-UHFFFAOYSA-N -1 3 378.375 3.103 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[n-]n1 ZINC000183282238 1430669336 /nfs/dbraw/zinc/66/93/36/1430669336.db2.gz LEVMZHPSOHIKDK-UHFFFAOYSA-N -1 3 394.218 3.331 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n[n-]1 ZINC000183282238 1430669339 /nfs/dbraw/zinc/66/93/39/1430669339.db2.gz LEVMZHPSOHIKDK-UHFFFAOYSA-N -1 3 394.218 3.331 20 0 GGADHM CN(C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C1CCCC1 ZINC000183323256 1430679158 /nfs/dbraw/zinc/67/91/58/1430679158.db2.gz PDPVLIDELPEWBD-UHFFFAOYSA-N -1 3 391.320 3.449 20 0 GGADHM N#CCc1ccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000183366394 1430690740 /nfs/dbraw/zinc/69/07/40/1430690740.db2.gz VQHGXWUJCSNQSB-UHFFFAOYSA-N -1 3 391.200 3.121 20 0 GGADHM CCN(C[C@H]1CCCO1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183367813 1430692205 /nfs/dbraw/zinc/69/22/05/1430692205.db2.gz RGPUUNLEBYQHHR-RTWAWAEBSA-N -1 3 396.487 3.281 20 0 GGADHM Cc1ccc(OCC(=O)N[N-]C(=O)c2cccc(Br)c2Cl)cc1 ZINC000183392567 1430699524 /nfs/dbraw/zinc/69/95/24/1430699524.db2.gz VEXIURHHXYSLKP-UHFFFAOYSA-N -1 3 397.656 3.251 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3ccsc3)cs2)c1 ZINC000183406663 1430703389 /nfs/dbraw/zinc/70/33/89/1430703389.db2.gz BEVJQBYRAPRDPL-UHFFFAOYSA-N -1 3 387.486 3.330 20 0 GGADHM C[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(C)(C)O1 ZINC000183435380 1430711151 /nfs/dbraw/zinc/71/11/51/1430711151.db2.gz GEVMJCRYLSCIEU-JXFKEZNVSA-N -1 3 396.487 3.279 20 0 GGADHM Cc1csc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)n1 ZINC000183435366 1430711455 /nfs/dbraw/zinc/71/14/55/1430711455.db2.gz GHQAVOGYWRZWRF-UHFFFAOYSA-N -1 3 388.474 3.356 20 0 GGADHM C#Cc1cccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000183493294 1430726751 /nfs/dbraw/zinc/72/67/51/1430726751.db2.gz XZUGFRUXMLMSMN-UHFFFAOYSA-N -1 3 376.185 3.036 20 0 GGADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1c(C)noc1C ZINC000183515644 1430732770 /nfs/dbraw/zinc/73/27/70/1430732770.db2.gz PUZIWYRMAQDSRY-INIZCTEOSA-N -1 3 398.419 3.427 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)c3cccnc3)cs2)c1 ZINC000183530564 1430736027 /nfs/dbraw/zinc/73/60/27/1430736027.db2.gz BYSMZEFFFHCZBM-CYBMUJFWSA-N -1 3 396.472 3.224 20 0 GGADHM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000183537614 1430737465 /nfs/dbraw/zinc/73/74/65/1430737465.db2.gz YVSKANRVLQNWJA-NRFANRHFSA-N -1 3 398.551 3.236 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cnccc3C)cs2)c1 ZINC000183570238 1430743867 /nfs/dbraw/zinc/74/38/67/1430743867.db2.gz SXGNTCDLNJCXKV-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3c(C)nn(CC(F)(F)F)c3C)n[n-]2)o1 ZINC000183573716 1430744750 /nfs/dbraw/zinc/74/47/50/1430744750.db2.gz AZPQRNKMXNCKCW-SECBINFHSA-N -1 3 396.373 3.491 20 0 GGADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000183655825 1430764728 /nfs/dbraw/zinc/76/47/28/1430764728.db2.gz IGBNEQJSFXYJBD-BEFAXECRSA-N -1 3 384.501 3.217 20 0 GGADHM CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[nH]1 ZINC000183713798 1430779319 /nfs/dbraw/zinc/77/93/19/1430779319.db2.gz UAAWTHSLWJGLIV-ZDUSSCGKSA-N -1 3 397.401 3.237 20 0 GGADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000183738393 1430784253 /nfs/dbraw/zinc/78/42/53/1430784253.db2.gz ROKKCTILCZXZMK-KRWDZBQOSA-N -1 3 381.457 3.373 20 0 GGADHM CCC(CC)[C@H](O)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183765521 1430789346 /nfs/dbraw/zinc/78/93/46/1430789346.db2.gz PKCHQILFXHTQOK-NHCUHLMSSA-N -1 3 398.503 3.167 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 ZINC000183784373 1430793316 /nfs/dbraw/zinc/79/33/16/1430793316.db2.gz RWEQSHNRGVELGA-CQSZACIVSA-N -1 3 395.695 3.228 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1nc(C2CC2)no1 ZINC000183876358 1430807707 /nfs/dbraw/zinc/80/77/07/1430807707.db2.gz RMRLTAXBUMKSRM-KRWDZBQOSA-N -1 3 386.477 3.413 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000183896092 1430810215 /nfs/dbraw/zinc/81/02/15/1430810215.db2.gz GWIOZRBQPMTDSQ-LBPRGKRZSA-N -1 3 386.349 3.293 20 0 GGADHM C[C@H]1CSCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183904991 1430811403 /nfs/dbraw/zinc/81/14/03/1430811403.db2.gz QKLVXEQTFQKIIA-KXBFYZLASA-N -1 3 384.501 3.217 20 0 GGADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000183972830 1430820990 /nfs/dbraw/zinc/82/09/90/1430820990.db2.gz HTQUXXSZLOMJRI-UHFFFAOYSA-N -1 3 396.487 3.236 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccnc3C)cs2)c1 ZINC000183973869 1430821131 /nfs/dbraw/zinc/82/11/31/1430821131.db2.gz CBXQZRBMAWRQOO-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM C[C@@H](O)CC(C)(C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183993246 1430825376 /nfs/dbraw/zinc/82/53/76/1430825376.db2.gz BSCLPKWKNDNOAS-OXQOHEQNSA-N -1 3 398.503 3.167 20 0 GGADHM C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccc2c(c1)CCCC2 ZINC000183993483 1430825443 /nfs/dbraw/zinc/82/54/43/1430825443.db2.gz MKJUJDNKNZLXEG-GJZGRUSLSA-N -1 3 387.501 3.311 20 0 GGADHM C[C@H](O)CC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183993195 1430825451 /nfs/dbraw/zinc/82/54/51/1430825451.db2.gz BSCLPKWKNDNOAS-JXFKEZNVSA-N -1 3 398.503 3.167 20 0 GGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)Nc1ccccc1Cc1ccccc1 ZINC000183997768 1430826304 /nfs/dbraw/zinc/82/63/04/1430826304.db2.gz RWLBSEPMDKVCOI-UHFFFAOYSA-N -1 3 381.453 3.395 20 0 GGADHM Cc1cnc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000184013927 1430828931 /nfs/dbraw/zinc/82/89/31/1430828931.db2.gz RGVJTUABQFKJFQ-GOSISDBHSA-N -1 3 395.484 3.335 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(O)CCCCC1 ZINC000184014765 1430829157 /nfs/dbraw/zinc/82/91/57/1430829157.db2.gz OFBWRTBERKKTIW-FQEVSTJZSA-N -1 3 396.487 3.065 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(O)CCCCC1 ZINC000184014750 1430829191 /nfs/dbraw/zinc/82/91/91/1430829191.db2.gz OFBWRTBERKKTIW-HXUWFJFHSA-N -1 3 396.487 3.065 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2SC2CCCC2)cn1 ZINC000184023636 1430830809 /nfs/dbraw/zinc/83/08/09/1430830809.db2.gz URCZPYWQMWZAJP-UHFFFAOYSA-N -1 3 378.885 3.183 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(F)cc2Br)c([O-])c1 ZINC000184072123 1430837548 /nfs/dbraw/zinc/83/75/48/1430837548.db2.gz OAFXBXZCHWRQQV-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM Cc1cc(NC(=O)NNC(=O)c2ccccc2[O-])nn1-c1cccc(Cl)c1 ZINC000184089385 1430839919 /nfs/dbraw/zinc/83/99/19/1430839919.db2.gz JWLTVTVYYSCHOQ-UHFFFAOYSA-N -1 3 385.811 3.006 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)cc1F ZINC000184144753 1430847010 /nfs/dbraw/zinc/84/70/10/1430847010.db2.gz LGWMJYQAHVVGNI-INIZCTEOSA-N -1 3 396.871 3.012 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2-n2cccn2)c([O-])c1 ZINC000184162891 1430849277 /nfs/dbraw/zinc/84/92/77/1430849277.db2.gz LSIMGXOPGJTPSR-UHFFFAOYSA-N -1 3 385.811 3.006 20 0 GGADHM CC(C)(CO)CCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184193376 1430854286 /nfs/dbraw/zinc/85/42/86/1430854286.db2.gz LDKACTJYMDOTOE-HXUWFJFHSA-N -1 3 398.503 3.168 20 0 GGADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC000184206095 1430856199 /nfs/dbraw/zinc/85/61/99/1430856199.db2.gz ALUMOPWSYHWQPN-IERDGZPVSA-N -1 3 396.487 3.185 20 0 GGADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC000184206132 1430856264 /nfs/dbraw/zinc/85/62/64/1430856264.db2.gz ALUMOPWSYHWQPN-IIBYNOLFSA-N -1 3 396.487 3.185 20 0 GGADHM COCCC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000184231080 1430859840 /nfs/dbraw/zinc/85/98/40/1430859840.db2.gz JPJQNRORXIVGQS-FQEVSTJZSA-N -1 3 396.487 3.186 20 0 GGADHM O=C1CCC(=O)N1c1ccccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184238164 1430860751 /nfs/dbraw/zinc/86/07/51/1430860751.db2.gz MTVWYXROLANDIS-ZHACJKMWSA-N -1 3 390.848 3.406 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1cc(C)cc(C)c1 ZINC000184260302 1430863690 /nfs/dbraw/zinc/86/36/90/1430863690.db2.gz CAVRYIVLOMYUFM-IBGZPJMESA-N -1 3 384.457 3.044 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1cc(C)cc(C)c1 ZINC000184260513 1430863952 /nfs/dbraw/zinc/86/39/52/1430863952.db2.gz SIRRWODPMRQTAM-FQEVSTJZSA-N -1 3 398.484 3.185 20 0 GGADHM COc1cc(C(=O)NNc2ccc(Br)c(F)c2)cc(OC)c1[O-] ZINC000184287108 1430868496 /nfs/dbraw/zinc/86/84/96/1430868496.db2.gz LQXHWGKJBGOMJT-UHFFFAOYSA-N -1 3 385.189 3.068 20 0 GGADHM C[C@@H](O)C[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184291651 1430868913 /nfs/dbraw/zinc/86/89/13/1430868913.db2.gz UCQOCAATIUBCKR-PBEJRMEISA-N -1 3 396.487 3.015 20 0 GGADHM C[C@@H](O)C[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184291683 1430869023 /nfs/dbraw/zinc/86/90/23/1430869023.db2.gz UCQOCAATIUBCKR-BSIFCXSSSA-N -1 3 396.487 3.015 20 0 GGADHM O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1c[n-]c2ccccc2c1=O ZINC000184337857 1430874904 /nfs/dbraw/zinc/87/49/04/1430874904.db2.gz GZNAYESOFNUIRW-UHFFFAOYSA-N -1 3 392.390 3.080 20 0 GGADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@@H]1CCSC1 ZINC000184357861 1430877853 /nfs/dbraw/zinc/87/78/53/1430877853.db2.gz ITANUSQHKCFRRU-MJGOQNOKSA-N -1 3 384.501 3.217 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3-c2ccccc2)c(C)o1 ZINC000184384952 1430881525 /nfs/dbraw/zinc/88/15/25/1430881525.db2.gz SXCCAALZFOQGQP-UHFFFAOYSA-N -1 3 396.468 3.366 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](C)c3nccs3)nc(=O)c2c1C ZINC000184410998 1430884875 /nfs/dbraw/zinc/88/48/75/1430884875.db2.gz FNVVZKGASJVDMA-ZJUUUORDSA-N -1 3 392.506 3.338 20 0 GGADHM CCOc1cccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000184465576 1430890857 /nfs/dbraw/zinc/89/08/57/1430890857.db2.gz OHAPZMJFIPRSNT-UHFFFAOYSA-N -1 3 396.216 3.453 20 0 GGADHM COc1cc(C)ccc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000184552499 1430903411 /nfs/dbraw/zinc/90/34/11/1430903411.db2.gz FXYHWTWAMRCJCU-UHFFFAOYSA-N -1 3 396.216 3.372 20 0 GGADHM CCc1cc2c(CN3CCN([C@H](C)c4nccs4)CC3)cc(=O)oc2cc1[O-] ZINC000184580708 1430909016 /nfs/dbraw/zinc/90/90/16/1430909016.db2.gz VLIFVXUMVUVNKG-CQSZACIVSA-N -1 3 399.516 3.396 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000184621700 1430922174 /nfs/dbraw/zinc/92/21/74/1430922174.db2.gz UKJWMDUJTZINKQ-UHFFFAOYSA-N -1 3 390.230 3.412 20 0 GGADHM CCN(CC(F)F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184645738 1430929137 /nfs/dbraw/zinc/92/91/37/1430929137.db2.gz KRRCZEJQQOOBKU-QGZVFWFLSA-N -1 3 376.403 3.367 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184740027 1430960616 /nfs/dbraw/zinc/96/06/16/1430960616.db2.gz BITOAYRPKCRVHP-MNOVXSKESA-N -1 3 379.363 3.058 20 0 GGADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184878480 1431009988 /nfs/dbraw/zinc/00/99/88/1431009988.db2.gz BJZKWKHFOPGOQL-LLVKDONJSA-N -1 3 387.379 3.320 20 0 GGADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184880080 1431011001 /nfs/dbraw/zinc/01/10/01/1431011001.db2.gz BXJKNKHPSBQIBG-CYBMUJFWSA-N -1 3 383.416 3.489 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c(C)c1 ZINC000184894595 1431015174 /nfs/dbraw/zinc/01/51/74/1431015174.db2.gz FSXAXYOMOHKCKW-UHFFFAOYSA-N -1 3 386.473 3.030 20 0 GGADHM CCCC[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000184947786 1431028057 /nfs/dbraw/zinc/02/80/57/1431028057.db2.gz YWNSAZXWRZJRFG-YJBOKZPZSA-N -1 3 386.414 3.201 20 0 GGADHM CCCC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000184947842 1431028094 /nfs/dbraw/zinc/02/80/94/1431028094.db2.gz YWNSAZXWRZJRFG-CRAIPNDOSA-N -1 3 386.414 3.201 20 0 GGADHM C[C@H](c1ccsc1)N1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000184953472 1431029308 /nfs/dbraw/zinc/02/93/08/1431029308.db2.gz UGNAQSFKVNNZGJ-CQSZACIVSA-N -1 3 386.550 3.400 20 0 GGADHM C[C@@H](c1ccsc1)N1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000184953456 1431029727 /nfs/dbraw/zinc/02/97/27/1431029727.db2.gz UGNAQSFKVNNZGJ-AWEZNQCLSA-N -1 3 386.550 3.400 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)c(C)o1 ZINC000185015941 1431042531 /nfs/dbraw/zinc/04/25/31/1431042531.db2.gz NYZYQCRTMFSBDU-KXBFYZLASA-N -1 3 390.505 3.186 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)c(C)o1 ZINC000185015907 1431042604 /nfs/dbraw/zinc/04/26/04/1431042604.db2.gz NYZYQCRTMFSBDU-BEFAXECRSA-N -1 3 390.505 3.186 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000185039923 1431047120 /nfs/dbraw/zinc/04/71/20/1431047120.db2.gz JRLKPFVCBFORGM-UHFFFAOYSA-N -1 3 388.221 3.255 20 0 GGADHM CC[C@H](CN(CC)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000185127972 1431067506 /nfs/dbraw/zinc/06/75/06/1431067506.db2.gz RNVNAMLMEHXVDZ-OAHLLOKOSA-N -1 3 378.494 3.152 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c([O-])c1 ZINC000185176519 1431078090 /nfs/dbraw/zinc/07/80/90/1431078090.db2.gz AMFWZWWMHMPBBI-UHFFFAOYSA-N -1 3 388.855 3.421 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1ccc(Br)cc1F ZINC000185184676 1431079068 /nfs/dbraw/zinc/07/90/68/1431079068.db2.gz NHFJWNDUDWJXIS-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000185320168 1431112718 /nfs/dbraw/zinc/11/27/18/1431112718.db2.gz XTQGZJZIDKOPNF-AWEZNQCLSA-N -1 3 385.346 3.174 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Nc1c(F)cccc1Cl ZINC000185343034 1431120624 /nfs/dbraw/zinc/12/06/24/1431120624.db2.gz IQNSNGXLJLJQBQ-UHFFFAOYSA-N -1 3 393.223 3.225 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCCC3=O)cc2)c(C)c1 ZINC000185625787 1431187768 /nfs/dbraw/zinc/18/77/68/1431187768.db2.gz NUPFWWOMMZYOJC-UHFFFAOYSA-N -1 3 386.473 3.143 20 0 GGADHM O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1nnc2ccccc2c1[O-] ZINC000185763830 1431228091 /nfs/dbraw/zinc/22/80/91/1431228091.db2.gz LOFCNFVHBDECAY-FQEVSTJZSA-N -1 3 385.423 3.054 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F ZINC000185883962 1431262574 /nfs/dbraw/zinc/26/25/74/1431262574.db2.gz IXWGKSJKQBJOCX-GHMZBOCLSA-N -1 3 386.732 3.461 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000185898730 1431269428 /nfs/dbraw/zinc/26/94/28/1431269428.db2.gz PPOVYXJQLCUKBS-AAKUMTKESA-N -1 3 382.217 3.443 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185957593 1431296387 /nfs/dbraw/zinc/29/63/87/1431296387.db2.gz GJLJCIJTOXURFX-OAHLLOKOSA-N -1 3 389.883 3.243 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)NCc2cc3cc(Br)ccc3[nH]2)n1 ZINC000186091484 1431328328 /nfs/dbraw/zinc/32/83/28/1431328328.db2.gz XEWQPLLVTNZCQX-UHFFFAOYSA-N -1 3 389.257 3.164 20 0 GGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)NN=c1ccc(Cl)n[n-]1 ZINC000186096608 1431329574 /nfs/dbraw/zinc/32/95/74/1431329574.db2.gz FEVWZYHINFKMGE-UHFFFAOYSA-N -1 3 395.648 3.200 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCC1 ZINC000186099883 1431330326 /nfs/dbraw/zinc/33/03/26/1431330326.db2.gz KIEDATPHDKJIJX-UHFFFAOYSA-N -1 3 395.427 3.195 20 0 GGADHM Cc1cc2occ(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2cc1C ZINC000186101936 1431330842 /nfs/dbraw/zinc/33/08/42/1431330842.db2.gz YIPWPDHQLARFDZ-UHFFFAOYSA-N -1 3 378.428 3.353 20 0 GGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)nc1 ZINC000186104707 1431331729 /nfs/dbraw/zinc/33/17/29/1431331729.db2.gz GAQWHVUZHXTBGH-UHFFFAOYSA-N -1 3 392.799 3.432 20 0 GGADHM COC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000186156268 1431343274 /nfs/dbraw/zinc/34/32/74/1431343274.db2.gz PERSGWWRVASLSG-SNVBAGLBSA-N -1 3 395.308 3.139 20 0 GGADHM O=C(NCCNC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc([O-])cc1 ZINC000186171878 1431346221 /nfs/dbraw/zinc/34/62/21/1431346221.db2.gz JBVZVWGUBOXRAE-UHFFFAOYSA-N -1 3 386.757 3.224 20 0 GGADHM O=C(CCCc1cccc(C(F)(F)F)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000186171766 1431346299 /nfs/dbraw/zinc/34/62/99/1431346299.db2.gz HYLZJTVYHDXUPN-UHFFFAOYSA-N -1 3 394.393 3.280 20 0 GGADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000186203645 1431351752 /nfs/dbraw/zinc/35/17/52/1431351752.db2.gz WQTUKDJGOXVFTG-SMDDNHRTSA-N -1 3 390.390 3.496 20 0 GGADHM CCO[C@@H](C)c1nc(CN2CCN(Cc3cc([O-])cc(F)c3)CC2)cs1 ZINC000186248989 1431362428 /nfs/dbraw/zinc/36/24/28/1431362428.db2.gz SINHIAKJZMDRHM-AWEZNQCLSA-N -1 3 379.501 3.403 20 0 GGADHM CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186274119 1431369094 /nfs/dbraw/zinc/36/90/94/1431369094.db2.gz BZLRSBXHOIHHBX-AWEZNQCLSA-N -1 3 393.409 3.331 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(C)cc2)c1 ZINC000186420659 1431412985 /nfs/dbraw/zinc/41/29/85/1431412985.db2.gz KXZAJPUAFTWXDQ-UHFFFAOYSA-N -1 3 379.416 3.222 20 0 GGADHM CCOc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186440765 1431420510 /nfs/dbraw/zinc/42/05/10/1431420510.db2.gz QDJPESNSHSJZEW-STQMWFEESA-N -1 3 384.904 3.062 20 0 GGADHM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000186492509 1431435687 /nfs/dbraw/zinc/43/56/87/1431435687.db2.gz KUVYDLQMQXTEGI-AWEZNQCLSA-N -1 3 377.322 3.038 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cc(F)ccc2Br)c([O-])c1 ZINC000186555321 1431453043 /nfs/dbraw/zinc/45/30/43/1431453043.db2.gz BYCCKSMEDIHUKK-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nn(-c4ccccc4)cc3C)nc21 ZINC000186609457 1431468059 /nfs/dbraw/zinc/46/80/59/1431468059.db2.gz DSTCENXPSVGUOI-UHFFFAOYSA-N -1 3 375.388 3.096 20 0 GGADHM CC(C)(C)C(=O)NCCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000186651403 1431480822 /nfs/dbraw/zinc/48/08/22/1431480822.db2.gz OYJZHCMVOXOZNJ-UHFFFAOYSA-N -1 3 389.265 3.079 20 0 GGADHM COc1ccc(NNC(=O)c2cn[n-]c2-c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000186748217 1431507675 /nfs/dbraw/zinc/50/76/75/1431507675.db2.gz SXXXUTHMZOEDET-UHFFFAOYSA-N -1 3 393.812 3.465 20 0 GGADHM COc1ccc(NNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000186748217 1431507678 /nfs/dbraw/zinc/50/76/78/1431507678.db2.gz SXXXUTHMZOEDET-UHFFFAOYSA-N -1 3 393.812 3.465 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N(C)[C@@H](C)CC(C)C)[n-]c1-c1ccccc1 ZINC000186838136 1431534106 /nfs/dbraw/zinc/53/41/06/1431534106.db2.gz KKJBFKMTKNVHGD-AWEZNQCLSA-N -1 3 377.510 3.052 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(C)[C@@H](C)CC(C)C)nc1-c1ccccc1 ZINC000186838136 1431534114 /nfs/dbraw/zinc/53/41/14/1431534114.db2.gz KKJBFKMTKNVHGD-AWEZNQCLSA-N -1 3 377.510 3.052 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2cccs2)[n-]c1-c1ccccc1 ZINC000186844128 1431536868 /nfs/dbraw/zinc/53/68/68/1431536868.db2.gz GJAMQUWJSJLOOG-GFCCVEGCSA-N -1 3 389.502 3.098 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@H](C)c2cccs2)nc1-c1ccccc1 ZINC000186844128 1431536871 /nfs/dbraw/zinc/53/68/71/1431536871.db2.gz GJAMQUWJSJLOOG-GFCCVEGCSA-N -1 3 389.502 3.098 20 0 GGADHM CCOc1cc(C(=O)NCCN(C)Cc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000186850515 1431540330 /nfs/dbraw/zinc/54/03/30/1431540330.db2.gz PMIZBPIKQKNSLC-UHFFFAOYSA-N -1 3 380.847 3.445 20 0 GGADHM CCc1ccccc1NC(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186852637 1431540810 /nfs/dbraw/zinc/54/08/10/1431540810.db2.gz JYIFZRKEQVKCEK-UHFFFAOYSA-N -1 3 383.473 3.360 20 0 GGADHM CCc1ccccc1NC(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186852637 1431540813 /nfs/dbraw/zinc/54/08/13/1431540813.db2.gz JYIFZRKEQVKCEK-UHFFFAOYSA-N -1 3 383.473 3.360 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N(C(C)C)C(C)C)[n-]c1-c1ccccc1 ZINC000186853171 1431541062 /nfs/dbraw/zinc/54/10/62/1431541062.db2.gz BCOXIVKMESTHFX-OAHLLOKOSA-N -1 3 377.510 3.193 20 0 GGADHM C[C@@H]1CN(CCC2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)C[C@H](C)O1 ZINC000186852784 1431541197 /nfs/dbraw/zinc/54/11/97/1431541197.db2.gz HKVACQOOZKSKHF-OKILXGFUSA-N -1 3 382.451 3.022 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)[n-]c1-c1ccccc1 ZINC000186855279 1431541812 /nfs/dbraw/zinc/54/18/12/1431541812.db2.gz PIQIICHACNOXHZ-UHFFFAOYSA-N -1 3 389.864 3.451 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000186855279 1431541820 /nfs/dbraw/zinc/54/18/20/1431541820.db2.gz PIQIICHACNOXHZ-UHFFFAOYSA-N -1 3 389.864 3.451 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)NCc2ccc(C)cc2)[n-]c1-c1ccccc1 ZINC000186856522 1431542386 /nfs/dbraw/zinc/54/23/86/1431542386.db2.gz OHVPGWSFJDPOPS-INIZCTEOSA-N -1 3 397.500 3.172 20 0 GGADHM COc1ccc(-n2ccc(C[N-]S(=O)(=O)c3ccccc3SC)n2)cc1 ZINC000187055810 1431601476 /nfs/dbraw/zinc/60/14/76/1431601476.db2.gz NTDPELFGYOXSPJ-UHFFFAOYSA-N -1 3 389.502 3.081 20 0 GGADHM O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1c[n-]c2ccccc2c1=O ZINC000187152238 1431632473 /nfs/dbraw/zinc/63/24/73/1431632473.db2.gz IXUAQJYEUNHZAG-UHFFFAOYSA-N -1 3 387.439 3.470 20 0 GGADHM CCOCCO[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000187154971 1431632944 /nfs/dbraw/zinc/63/29/44/1431632944.db2.gz ZGZKTZKUYCLCKO-UHFFFAOYSA-N -1 3 386.279 3.423 20 0 GGADHM CCOc1ccc(Oc2cc(CNC(=O)c3cccc4n[n-]nc43)ccn2)cc1 ZINC000187281165 1431680198 /nfs/dbraw/zinc/68/01/98/1431680198.db2.gz UBDZMOFPFNELAI-UHFFFAOYSA-N -1 3 389.415 3.474 20 0 GGADHM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C(=O)c2ccncc2)CCC3)o1 ZINC000187313519 1431692534 /nfs/dbraw/zinc/69/25/34/1431692534.db2.gz WDTWMSCQVIGCKJ-UHFFFAOYSA-N -1 3 396.424 3.495 20 0 GGADHM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1nnc2ccccc2c1[O-] ZINC000187355947 1431707156 /nfs/dbraw/zinc/70/71/56/1431707156.db2.gz IFANTXIJZUPRIK-UHFFFAOYSA-N -1 3 397.847 3.271 20 0 GGADHM CC(C)(CNC(=O)NNC(=O)c1ccccc1[O-])c1cccc(Cl)c1F ZINC000187426372 1431726389 /nfs/dbraw/zinc/72/63/89/1431726389.db2.gz LGTBVJMWEPHSLN-UHFFFAOYSA-N -1 3 379.819 3.107 20 0 GGADHM Cc1cnccc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000187439063 1431730312 /nfs/dbraw/zinc/73/03/12/1431730312.db2.gz DDBGNQXSHWTWTC-OAQYLSRUSA-N -1 3 389.455 3.273 20 0 GGADHM C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1cccc(F)c1C#N ZINC000187453402 1431734970 /nfs/dbraw/zinc/73/49/70/1431734970.db2.gz IRYRPHZWOQWIFI-CYBMUJFWSA-N -1 3 377.375 3.079 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187517748 1431754410 /nfs/dbraw/zinc/75/44/10/1431754410.db2.gz ABSZMEZJXJDSIJ-CYBMUJFWSA-N -1 3 377.448 3.391 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)n[nH]2)cc1C ZINC000187565572 1431769370 /nfs/dbraw/zinc/76/93/70/1431769370.db2.gz XGWCEPJMMXMHQH-UHFFFAOYSA-N -1 3 384.461 3.317 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[N-]OC[C@H]1CCOC1 ZINC000187850953 1431819817 /nfs/dbraw/zinc/81/98/17/1431819817.db2.gz ZMOGWSVXZYKXDV-ZDUSSCGKSA-N -1 3 398.290 3.423 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cnns1 ZINC000188197019 1431859560 /nfs/dbraw/zinc/85/95/60/1431859560.db2.gz IWUYSWZRLKPIHS-UHFFFAOYSA-N -1 3 392.437 3.039 20 0 GGADHM CCOC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000188211233 1431860818 /nfs/dbraw/zinc/86/08/18/1431860818.db2.gz XVNBNNGLINUAGS-LLVKDONJSA-N -1 3 392.880 3.014 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(C)([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000188231628 1431864020 /nfs/dbraw/zinc/86/40/20/1431864020.db2.gz KPKILVLSKHCJJX-UHFFFAOYSA-N -1 3 394.946 3.469 20 0 GGADHM CCc1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000188279310 1431868914 /nfs/dbraw/zinc/86/89/14/1431868914.db2.gz ZWCSWQPMZYZVQQ-UHFFFAOYSA-N -1 3 380.488 3.262 20 0 GGADHM COc1ccc(-c2[nH]ncc2C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000188339446 1431874729 /nfs/dbraw/zinc/87/47/29/1431874729.db2.gz RUDGCORLNHYUJO-UHFFFAOYSA-N -1 3 389.209 3.201 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1nnc2ccccc2c1[O-] ZINC000188343123 1431875252 /nfs/dbraw/zinc/87/52/52/1431875252.db2.gz GILSZCFSCFGAFV-GFCCVEGCSA-N -1 3 399.834 3.244 20 0 GGADHM CCCn1c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc2ccccc21 ZINC000188357748 1431876723 /nfs/dbraw/zinc/87/67/23/1431876723.db2.gz WVPDAVRBVQXPSO-UHFFFAOYSA-N -1 3 391.471 3.355 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2o1 ZINC000188364038 1431877047 /nfs/dbraw/zinc/87/70/47/1431877047.db2.gz RUHVVQQSEPPXFU-OAHLLOKOSA-N -1 3 393.443 3.367 20 0 GGADHM CCOC(C)(C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000188383215 1431879361 /nfs/dbraw/zinc/87/93/61/1431879361.db2.gz PFTAMLSCMHMFFB-LJQANCHMSA-N -1 3 384.476 3.185 20 0 GGADHM O=C(NN=c1cccn[n-]1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000188401258 1431881229 /nfs/dbraw/zinc/88/12/29/1431881229.db2.gz YHTMQABMXFLFMI-LBPRGKRZSA-N -1 3 381.267 3.079 20 0 GGADHM O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000188449800 1431884986 /nfs/dbraw/zinc/88/49/86/1431884986.db2.gz USRMNBDKUIAFMA-HXUWFJFHSA-N -1 3 388.427 3.000 20 0 GGADHM O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000188449827 1431885057 /nfs/dbraw/zinc/88/50/57/1431885057.db2.gz USRMNBDKUIAFMA-FQEVSTJZSA-N -1 3 388.427 3.000 20 0 GGADHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000188635297 1431912372 /nfs/dbraw/zinc/91/23/72/1431912372.db2.gz IUDYKFRLLAUBFU-MRVPVSSYSA-N -1 3 394.275 3.425 20 0 GGADHM CC(C)(C)OC(=O)NCc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)co1 ZINC000188649654 1431918331 /nfs/dbraw/zinc/91/83/31/1431918331.db2.gz FSOAVGWMQAGVFF-UHFFFAOYSA-N -1 3 392.359 3.427 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(N4CCCC4)ccn3)c2)n1 ZINC000188657472 1431921678 /nfs/dbraw/zinc/92/16/78/1431921678.db2.gz UJEDPQAHBOWCIJ-UHFFFAOYSA-N -1 3 389.459 3.247 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCN1CC(C)(C)O ZINC000188714057 1431942979 /nfs/dbraw/zinc/94/29/79/1431942979.db2.gz LJLSFNSQCGNMPQ-CYBMUJFWSA-N -1 3 376.884 3.116 20 0 GGADHM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000188813303 1431987032 /nfs/dbraw/zinc/98/70/32/1431987032.db2.gz OVHVMYRMUCZTCX-UHFFFAOYSA-N -1 3 391.349 3.093 20 0 GGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000188891922 1432004421 /nfs/dbraw/zinc/00/44/21/1432004421.db2.gz SHHFSVIDOSBCIP-UHFFFAOYSA-N -1 3 396.900 3.231 20 0 GGADHM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000188891922 1432004427 /nfs/dbraw/zinc/00/44/27/1432004427.db2.gz SHHFSVIDOSBCIP-UHFFFAOYSA-N -1 3 396.900 3.231 20 0 GGADHM CCc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c([O-])c1 ZINC000188910922 1432007423 /nfs/dbraw/zinc/00/74/23/1432007423.db2.gz FYHYQFJZPRASOB-UHFFFAOYSA-N -1 3 398.488 3.024 20 0 GGADHM O=C(CCCc1nc(C2CC2)no1)[N-]OCc1ccc(F)cc1Br ZINC000188928495 1432010684 /nfs/dbraw/zinc/01/06/84/1432010684.db2.gz ALEUOOPABANPGE-UHFFFAOYSA-N -1 3 398.232 3.419 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCc3c[nH]cn3)cc2)cc1 ZINC000188930319 1432011073 /nfs/dbraw/zinc/01/10/73/1432011073.db2.gz VSOYHLHWZXULBO-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OCC(=O)N(C)C)cc1 ZINC000188938678 1432012985 /nfs/dbraw/zinc/01/29/85/1432012985.db2.gz RWQUYRHFGYXQNK-UHFFFAOYSA-N -1 3 376.478 3.078 20 0 GGADHM O=C([N-][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(F)(F)c1ccccc1 ZINC000188978464 1432020644 /nfs/dbraw/zinc/02/06/44/1432020644.db2.gz XJSSABUIWMSPQO-QGZVFWFLSA-N -1 3 394.368 3.364 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189075578 1432039784 /nfs/dbraw/zinc/03/97/84/1432039784.db2.gz KFLVDJVGXWWIBE-JKSUJKDBSA-N -1 3 391.464 3.302 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189075548 1432040157 /nfs/dbraw/zinc/04/01/57/1432040157.db2.gz KFLVDJVGXWWIBE-CVEARBPZSA-N -1 3 391.464 3.302 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000189213112 1432064133 /nfs/dbraw/zinc/06/41/33/1432064133.db2.gz UMKZWFHYPXJQLF-UHFFFAOYSA-N -1 3 377.322 3.219 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000189241935 1432070218 /nfs/dbraw/zinc/07/02/18/1432070218.db2.gz RZLTXYOZZJMDRC-CYBMUJFWSA-N -1 3 381.398 3.452 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000189252560 1432072063 /nfs/dbraw/zinc/07/20/63/1432072063.db2.gz UIAQATSEHGXFSP-UHFFFAOYSA-N -1 3 382.367 3.173 20 0 GGADHM CC[C@]1(C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000189337932 1432088959 /nfs/dbraw/zinc/08/89/59/1432088959.db2.gz XVRYHMFHOVESDP-NFBKMPQASA-N -1 3 396.487 3.281 20 0 GGADHM C[C@H]1OCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000189364153 1432093740 /nfs/dbraw/zinc/09/37/40/1432093740.db2.gz VRDWHNOAKIKPHG-DOMZBBRYSA-N -1 3 380.872 3.038 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)cc1C ZINC000189383723 1432096675 /nfs/dbraw/zinc/09/66/75/1432096675.db2.gz HVZUMQQQILXCKR-UHFFFAOYSA-N -1 3 382.489 3.233 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCc3cccs3)n2)c1 ZINC000189677966 1432200662 /nfs/dbraw/zinc/20/06/62/1432200662.db2.gz NQDKAPOYYHDFEZ-LBPRGKRZSA-N -1 3 393.490 3.030 20 0 GGADHM COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000189710391 1432210626 /nfs/dbraw/zinc/21/06/26/1432210626.db2.gz NXSWOOMQTYILFN-UHFFFAOYSA-N -1 3 387.399 3.471 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc2n[n-]nc21 ZINC000189726459 1432215995 /nfs/dbraw/zinc/21/59/95/1432215995.db2.gz SFUPVHUQIREWSK-UHFFFAOYSA-N -1 3 391.410 3.334 20 0 GGADHM Cn1nc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1OC(F)F ZINC000189794166 1432237381 /nfs/dbraw/zinc/23/73/81/1432237381.db2.gz GBNAOBAOQXWLLO-UHFFFAOYSA-N -1 3 399.810 3.370 20 0 GGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)nc1 ZINC000189816998 1432243481 /nfs/dbraw/zinc/24/34/81/1432243481.db2.gz MTPWKHNEXQQHOA-UHFFFAOYSA-N -1 3 388.836 3.216 20 0 GGADHM CCc1nnc([N-]C(=O)c2nc(Br)ccc2Br)s1 ZINC000189881793 1432261686 /nfs/dbraw/zinc/26/16/86/1432261686.db2.gz NRLDGSKZMQZQNG-UHFFFAOYSA-N -1 3 392.076 3.273 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000190113449 1432322149 /nfs/dbraw/zinc/32/21/49/1432322149.db2.gz ZPDOEPMPJLMRRP-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c([O-])c1 ZINC000190128223 1432324319 /nfs/dbraw/zinc/32/43/19/1432324319.db2.gz VARGRASJUUBEBZ-UHFFFAOYSA-N -1 3 396.487 3.098 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCCN(c3nccs3)CC2)c([O-])c1 ZINC000190203218 1432340027 /nfs/dbraw/zinc/34/00/27/1432340027.db2.gz SBXNXMIIOPSSQO-UHFFFAOYSA-N -1 3 375.494 3.380 20 0 GGADHM O=C1CCCCN1c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000190230821 1432345589 /nfs/dbraw/zinc/34/55/89/1432345589.db2.gz RRUSYYIYJCVDGS-UHFFFAOYSA-N -1 3 384.457 3.379 20 0 GGADHM CCN(Cc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(C)=O ZINC000190233796 1432345783 /nfs/dbraw/zinc/34/57/83/1432345783.db2.gz JGPUJGWZWKXDJY-UHFFFAOYSA-N -1 3 386.473 3.230 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000190261815 1432350509 /nfs/dbraw/zinc/35/05/09/1432350509.db2.gz JRPNEENGCHVRIY-INIZCTEOSA-N -1 3 376.497 3.196 20 0 GGADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000190373798 1432369378 /nfs/dbraw/zinc/36/93/78/1432369378.db2.gz SOVNAPYNCMSSCX-UHFFFAOYSA-N -1 3 390.396 3.337 20 0 GGADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000190378850 1432370238 /nfs/dbraw/zinc/37/02/38/1432370238.db2.gz PUDRWADMWINOPZ-UHFFFAOYSA-N -1 3 385.445 3.143 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1C ZINC000190380434 1432370328 /nfs/dbraw/zinc/37/03/28/1432370328.db2.gz HONZNHMQJNFZAZ-UHFFFAOYSA-N -1 3 385.445 3.077 20 0 GGADHM CCCCOc1ccc(C(=O)NCCCc2nnc3n2CCCCC3)c([O-])c1 ZINC000190415650 1432377482 /nfs/dbraw/zinc/37/74/82/1432377482.db2.gz CQRLUYKQKXDBAC-UHFFFAOYSA-N -1 3 386.496 3.252 20 0 GGADHM CCc1c(C(=O)[N-]NC(=O)NC2CCCCC2)cnn1-c1ccccc1Cl ZINC000190469724 1432387746 /nfs/dbraw/zinc/38/77/46/1432387746.db2.gz HLNQXINHLWPYJZ-UHFFFAOYSA-N -1 3 389.887 3.365 20 0 GGADHM COc1cc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C ZINC000190617969 1432422501 /nfs/dbraw/zinc/42/25/01/1432422501.db2.gz HTRCSKNBBRGKAX-UHFFFAOYSA-N -1 3 398.202 3.293 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cc(F)cc(F)c1Br ZINC000190653695 1432432395 /nfs/dbraw/zinc/43/23/95/1432432395.db2.gz KBKISAWKJNJADI-UHFFFAOYSA-N -1 3 378.564 3.319 20 0 GGADHM CCc1ccccc1CC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000190772368 1432473389 /nfs/dbraw/zinc/47/33/89/1432473389.db2.gz KTSFKYMDCQYACM-UHFFFAOYSA-N -1 3 379.229 3.154 20 0 GGADHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000190800897 1432485613 /nfs/dbraw/zinc/48/56/13/1432485613.db2.gz DCQYAKANCPGREY-LLVKDONJSA-N -1 3 386.876 3.286 20 0 GGADHM CCCCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c([O-])c1 ZINC000190828708 1432497113 /nfs/dbraw/zinc/49/71/13/1432497113.db2.gz HJDZWECYALYBQJ-KXBFYZLASA-N -1 3 386.492 3.187 20 0 GGADHM O=C(NC[C@H]1CCCO1)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000190873143 1432515470 /nfs/dbraw/zinc/51/54/70/1432515470.db2.gz MNNPXALKKISAJO-OAHLLOKOSA-N -1 3 392.858 3.383 20 0 GGADHM O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000190873124 1432515593 /nfs/dbraw/zinc/51/55/93/1432515593.db2.gz MNNPXALKKISAJO-HNNXBMFYSA-N -1 3 392.858 3.383 20 0 GGADHM CCC[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000190900595 1432523953 /nfs/dbraw/zinc/52/39/53/1432523953.db2.gz ZZYNQGCVTPEFNV-GOSISDBHSA-N -1 3 396.491 3.119 20 0 GGADHM CCC[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000190900609 1432524218 /nfs/dbraw/zinc/52/42/18/1432524218.db2.gz ZZYNQGCVTPEFNV-SFHVURJKSA-N -1 3 396.491 3.119 20 0 GGADHM CC(=O)[C@@H]1CC(C([O-])=C(C#N)c2cnc3ccccc3n2)=NN1c1ccccc1 ZINC000190917788 1432528791 /nfs/dbraw/zinc/52/87/91/1432528791.db2.gz UZBSUSCROKDVHC-KKSFZXQISA-N -1 3 383.411 3.030 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(CN(C)C)ccc1C ZINC000191029900 1432552929 /nfs/dbraw/zinc/55/29/29/1432552929.db2.gz ODWILGIZRAIHQA-UHFFFAOYSA-N -1 3 396.484 3.022 20 0 GGADHM CC(C)n1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cn1 ZINC000191225980 1432596921 /nfs/dbraw/zinc/59/69/21/1432596921.db2.gz MTXTXAFOGZVNCB-UHFFFAOYSA-N -1 3 390.387 3.107 20 0 GGADHM C[C@H]1CSCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000191290366 1432621677 /nfs/dbraw/zinc/62/16/77/1432621677.db2.gz KSVHSCTVMPOASR-OXQOHEQNSA-N -1 3 398.528 3.465 20 0 GGADHM C[C@@H]1CCS(=O)(=O)CCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000191327903 1432633506 /nfs/dbraw/zinc/63/35/06/1432633506.db2.gz GUEQHNSLTLRCRS-GFCCVEGCSA-N -1 3 398.322 3.317 20 0 GGADHM CCN(C)c1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cn1 ZINC000191345665 1432637518 /nfs/dbraw/zinc/63/75/18/1432637518.db2.gz LSRKKVMAESLUFY-UHFFFAOYSA-N -1 3 377.872 3.072 20 0 GGADHM COC(=O)CN(Cc1nccn1-c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000191345639 1432637562 /nfs/dbraw/zinc/63/75/62/1432637562.db2.gz SNPPIDDPVPSLLC-UHFFFAOYSA-N -1 3 385.851 3.407 20 0 GGADHM C[C@H]1CN(Cc2c([O-])ccc3cc(Br)ccc32)CCS(=O)(=O)C1 ZINC000191364807 1432642583 /nfs/dbraw/zinc/64/25/83/1432642583.db2.gz HFPYVTVIEMBXOO-LBPRGKRZSA-N -1 3 398.322 3.174 20 0 GGADHM COc1ccc(NCc2ccc(OCC3CC3)cc2)cc1[N-]S(C)(=O)=O ZINC000191379992 1432646555 /nfs/dbraw/zinc/64/65/55/1432646555.db2.gz HEGANZJWVIJBHG-UHFFFAOYSA-N -1 3 376.478 3.468 20 0 GGADHM CCc1c(NC(=O)NNC(=O)c2ccccc2[O-])cnn1-c1ccccc1Cl ZINC000191572295 1432685705 /nfs/dbraw/zinc/68/57/05/1432685705.db2.gz MWWDLOYFRQMSIV-UHFFFAOYSA-N -1 3 399.838 3.260 20 0 GGADHM O=C(NCc1ccc(Cl)cc1)N[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000191601775 1432690055 /nfs/dbraw/zinc/69/00/55/1432690055.db2.gz URNBWLDDSVGAQV-UHFFFAOYSA-N -1 3 383.191 3.046 20 0 GGADHM CCc1c(C(=O)[N-]NC(=O)NCc2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000191601250 1432690306 /nfs/dbraw/zinc/69/03/06/1432690306.db2.gz DEIJLFUWNLMJRF-UHFFFAOYSA-N -1 3 397.866 3.232 20 0 GGADHM CC(=O)CC(C)(C)CC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000191826184 1432733648 /nfs/dbraw/zinc/73/36/48/1432733648.db2.gz UJWMXUNBPNVJFT-UHFFFAOYSA-N -1 3 389.677 3.259 20 0 GGADHM CC(=O)CC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000191830022 1432734302 /nfs/dbraw/zinc/73/43/02/1432734302.db2.gz UOZYSXQJUWZNCP-UHFFFAOYSA-N -1 3 394.415 3.411 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c(=O)[n-]1 ZINC000191849110 1432739625 /nfs/dbraw/zinc/73/96/25/1432739625.db2.gz PEGVOFBIOTXUJL-UHFFFAOYSA-N -1 3 395.444 3.223 20 0 GGADHM COc1cc(Cl)c(Br)cc1C(=O)[N-]NC(=O)OC(C)(C)C ZINC000191854995 1432740859 /nfs/dbraw/zinc/74/08/59/1432740859.db2.gz HHBQDLIVAPCGCI-UHFFFAOYSA-N -1 3 379.638 3.281 20 0 GGADHM Cc1ccc(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(Cl)c1 ZINC000191951168 1432765281 /nfs/dbraw/zinc/76/52/81/1432765281.db2.gz KXNLSMWKUDTELM-FQEVSTJZSA-N -1 3 385.851 3.237 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000191954847 1432766012 /nfs/dbraw/zinc/76/60/12/1432766012.db2.gz MVEKKHZDIHDQGC-UHFFFAOYSA-N -1 3 382.382 3.022 20 0 GGADHM CCCCc1nc(NC(=O)Cc2ccc(-n3cccn3)cc2)c(C(=O)OCC)[n-]1 ZINC000191962833 1432768913 /nfs/dbraw/zinc/76/89/13/1432768913.db2.gz PGEFARPJIMWGBC-UHFFFAOYSA-N -1 3 395.463 3.296 20 0 GGADHM CCCCc1nc(NC(=O)c2cccc(Br)n2)c(C(=O)OCC)[n-]1 ZINC000191965265 1432769097 /nfs/dbraw/zinc/76/90/97/1432769097.db2.gz NNHJEVCQEBWBLG-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)c(C(=O)OCC)[n-]1 ZINC000191964819 1432769390 /nfs/dbraw/zinc/76/93/90/1432769390.db2.gz VVQGVXMLBRASPB-GFCCVEGCSA-N -1 3 389.500 3.097 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC(F)(F)C(F)F ZINC000192028787 1432781868 /nfs/dbraw/zinc/78/18/68/1432781868.db2.gz BEVQPTAXUGMPDX-OAHLLOKOSA-N -1 3 398.356 3.270 20 0 GGADHM CCc1c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1cccc(Cl)c1 ZINC000192131211 1432803514 /nfs/dbraw/zinc/80/35/14/1432803514.db2.gz IYUKTRWODNEFSM-UHFFFAOYSA-N -1 3 394.818 3.224 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCS[C@@H](C)CC3)nc(=O)c2c1C ZINC000192185352 1432813343 /nfs/dbraw/zinc/81/33/43/1432813343.db2.gz WBGWBWNYMGTZIP-CMPLNLGQSA-N -1 3 395.550 3.358 20 0 GGADHM O=C(NN=c1ccc(C(F)(F)F)n[n-]1)c1cccc(Br)c1F ZINC000192191044 1432814039 /nfs/dbraw/zinc/81/40/39/1432814039.db2.gz QHWWGSDYYQJWNI-UHFFFAOYSA-N -1 3 379.111 3.154 20 0 GGADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc2[n-]c(=S)oc2c1 ZINC000192231442 1432819996 /nfs/dbraw/zinc/81/99/96/1432819996.db2.gz OTPZRRJAHJOOJC-KRWDZBQOSA-N -1 3 397.500 3.137 20 0 GGADHM CCCn1ccnc1CCCN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000192234911 1432820695 /nfs/dbraw/zinc/82/06/95/1432820695.db2.gz ACORIHLYWBCNOL-UHFFFAOYSA-N -1 3 380.496 3.124 20 0 GGADHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1Cc1ccc(F)cc1 ZINC000192510665 1432853173 /nfs/dbraw/zinc/85/31/73/1432853173.db2.gz JJWHBQSCYSRPDJ-GOSISDBHSA-N -1 3 391.406 3.044 20 0 GGADHM COc1ccc(Cl)cc1CN1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192522903 1432854690 /nfs/dbraw/zinc/85/46/90/1432854690.db2.gz HTZPKHMHXDXSPD-AWEZNQCLSA-N -1 3 376.888 3.031 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000192528491 1432855067 /nfs/dbraw/zinc/85/50/67/1432855067.db2.gz CZVVVVYPEIKSPJ-CYBMUJFWSA-N -1 3 394.397 3.028 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000192528536 1432855157 /nfs/dbraw/zinc/85/51/57/1432855157.db2.gz YDJLMAAGTBVVJK-LBPRGKRZSA-N -1 3 395.290 3.316 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000192531029 1432855590 /nfs/dbraw/zinc/85/55/90/1432855590.db2.gz FVOOJMDKXSGCLI-INIZCTEOSA-N -1 3 395.532 3.493 20 0 GGADHM CC(C)(C)c1nc2ccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2[nH]1 ZINC000192581750 1432862672 /nfs/dbraw/zinc/86/26/72/1432862672.db2.gz PWUNYLIEFLENRK-UHFFFAOYSA-N -1 3 386.477 3.484 20 0 GGADHM O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000192595700 1432864102 /nfs/dbraw/zinc/86/41/02/1432864102.db2.gz ZGDKIZGOJYIAMJ-UHFFFAOYSA-N -1 3 388.383 3.313 20 0 GGADHM COCCN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192645087 1432870615 /nfs/dbraw/zinc/87/06/15/1432870615.db2.gz MSDKYIMGJAZATN-UHFFFAOYSA-N -1 3 385.445 3.486 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000192682864 1432874991 /nfs/dbraw/zinc/87/49/91/1432874991.db2.gz SNICNGXIVSPLFK-CQSZACIVSA-N -1 3 379.794 3.057 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)c(F)c1 ZINC000192787421 1432890923 /nfs/dbraw/zinc/89/09/23/1432890923.db2.gz YNLXBOUEPWSUSV-ZDUSSCGKSA-N -1 3 375.425 3.365 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)Nc2nccs2)c(F)c1 ZINC000192821990 1432895115 /nfs/dbraw/zinc/89/51/15/1432895115.db2.gz ZMICKKYWROOXGQ-OAHLLOKOSA-N -1 3 399.513 3.063 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000193085558 1432933908 /nfs/dbraw/zinc/93/39/08/1432933908.db2.gz OYIAGMIMAIIFKA-UHFFFAOYSA-N -1 3 391.855 3.443 20 0 GGADHM CCS(=O)(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000193092421 1432934970 /nfs/dbraw/zinc/93/49/70/1432934970.db2.gz JJXULBATEYJARY-UHFFFAOYSA-N -1 3 387.501 3.022 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000193152642 1432946064 /nfs/dbraw/zinc/94/60/64/1432946064.db2.gz PIJSETVLSSICIU-OAHLLOKOSA-N -1 3 390.915 3.062 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c2ccccc21 ZINC000193156442 1432946570 /nfs/dbraw/zinc/94/65/70/1432946570.db2.gz HSDYCZAVJGHIMP-CYBMUJFWSA-N -1 3 388.464 3.420 20 0 GGADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C)cc1 ZINC000193182787 1432952755 /nfs/dbraw/zinc/95/27/55/1432952755.db2.gz HRZXTAMVFXAGOK-LJQANCHMSA-N -1 3 381.476 3.319 20 0 GGADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000193228334 1432962964 /nfs/dbraw/zinc/96/29/64/1432962964.db2.gz SZQDLCJASUDZFD-UHFFFAOYSA-N -1 3 393.428 3.386 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000193329828 1432980272 /nfs/dbraw/zinc/98/02/72/1432980272.db2.gz WXDFMPIHJJPAJI-CYBMUJFWSA-N -1 3 396.896 3.393 20 0 GGADHM Cc1ccc(N)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000193448393 1433000896 /nfs/dbraw/zinc/00/08/96/1433000896.db2.gz RYZVUKKQFRIRFR-UHFFFAOYSA-N -1 3 379.457 3.045 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(F)c(C)c2)c1 ZINC000193468246 1433004297 /nfs/dbraw/zinc/00/42/97/1433004297.db2.gz DUCHZOCDMVTALQ-UHFFFAOYSA-N -1 3 383.379 3.318 20 0 GGADHM COC(=O)c1cnc(SCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)[n-]1 ZINC000193536131 1433016361 /nfs/dbraw/zinc/01/63/61/1433016361.db2.gz ITYHJZFCDOZFGN-QMMMGPOBSA-N -1 3 389.506 3.200 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[n-]1 ZINC000193547164 1433017941 /nfs/dbraw/zinc/01/79/41/1433017941.db2.gz NPWKODKBTDPTEH-QGZVFWFLSA-N -1 3 391.468 3.475 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2sc(-c3ncccn3)nc2C)c(F)cc1F ZINC000193789143 1433059887 /nfs/dbraw/zinc/05/98/87/1433059887.db2.gz HNPSMDCHEBMAIW-UHFFFAOYSA-N -1 3 390.371 3.226 20 0 GGADHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193806966 1433063770 /nfs/dbraw/zinc/06/37/70/1433063770.db2.gz BTKAAOQRJUNLGZ-GOSISDBHSA-N -1 3 399.878 3.201 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)cc1C ZINC000194171772 1433131398 /nfs/dbraw/zinc/13/13/98/1433131398.db2.gz UEQGWQQQBRLUIG-UHFFFAOYSA-N -1 3 388.489 3.313 20 0 GGADHM CC(=O)c1c[nH]c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000194234901 1433145368 /nfs/dbraw/zinc/14/53/68/1433145368.db2.gz BKFSWVRTMDPJBO-UHFFFAOYSA-N -1 3 389.839 3.067 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C2CC2)ccc1F ZINC000194287110 1433155548 /nfs/dbraw/zinc/15/55/48/1433155548.db2.gz BAISYSCNORFUIH-UHFFFAOYSA-N -1 3 396.406 3.069 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)cc1OC ZINC000194542759 1433194992 /nfs/dbraw/zinc/19/49/92/1433194992.db2.gz UDPYITUWRQTNDU-UHFFFAOYSA-N -1 3 376.478 3.413 20 0 GGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194651239 1433211269 /nfs/dbraw/zinc/21/12/69/1433211269.db2.gz VMRIVEFVPXVVOM-UHFFFAOYSA-N -1 3 379.457 3.149 20 0 GGADHM CSC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000194669891 1433213585 /nfs/dbraw/zinc/21/35/85/1433213585.db2.gz VHLXEAMHVUMIHP-GOSISDBHSA-N -1 3 384.501 3.265 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](C)c3cccnc3)nc(=O)c2c1C ZINC000194725625 1433220604 /nfs/dbraw/zinc/22/06/04/1433220604.db2.gz HWIHTTXYHFMVMN-RYUDHWBXSA-N -1 3 386.477 3.277 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)c(C)c1 ZINC000194727780 1433220886 /nfs/dbraw/zinc/22/08/86/1433220886.db2.gz LOOBSBOLMWMUAL-UHFFFAOYSA-N -1 3 398.488 3.399 20 0 GGADHM O=c1onc(-c2ccccc2)n1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194771667 1433228636 /nfs/dbraw/zinc/22/86/36/1433228636.db2.gz WJGHQFZLQNWFCN-UHFFFAOYSA-N -1 3 392.396 3.110 20 0 GGADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000194790082 1433232856 /nfs/dbraw/zinc/23/28/56/1433232856.db2.gz FKTUYZHBFVARBC-UHFFFAOYSA-N -1 3 375.494 3.035 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000194830804 1433243170 /nfs/dbraw/zinc/24/31/70/1433243170.db2.gz ZVJXXXQRVGJEPU-GFCCVEGCSA-N -1 3 382.436 3.108 20 0 GGADHM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000194917636 1433264076 /nfs/dbraw/zinc/26/40/76/1433264076.db2.gz JLGVBRVBKULUON-UHFFFAOYSA-N -1 3 378.403 3.402 20 0 GGADHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc21 ZINC000194938341 1433268314 /nfs/dbraw/zinc/26/83/14/1433268314.db2.gz LOOWMBBNDGPDHK-UHFFFAOYSA-N -1 3 385.489 3.145 20 0 GGADHM CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)c1C ZINC000195284766 1433314999 /nfs/dbraw/zinc/31/49/99/1433314999.db2.gz QMTAXVGTDUEXMD-UHFFFAOYSA-N -1 3 397.500 3.497 20 0 GGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)c1nnc(Cc2ccccc2)[n-]1 ZINC000195290401 1433315472 /nfs/dbraw/zinc/31/54/72/1433315472.db2.gz HZKBUMIMGYMDKP-UHFFFAOYSA-N -1 3 381.379 3.388 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c(=O)[n-]1 ZINC000195326867 1433319458 /nfs/dbraw/zinc/31/94/58/1433319458.db2.gz LICDGHYRAMTPQX-IBGZPJMESA-N -1 3 391.475 3.080 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C(C)C)c2)cc1 ZINC000195342874 1433320899 /nfs/dbraw/zinc/32/08/99/1433320899.db2.gz DNZZODJWHKMOCE-UHFFFAOYSA-N -1 3 376.478 3.285 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)c1ccccc1F ZINC000195341744 1433320919 /nfs/dbraw/zinc/32/09/19/1433320919.db2.gz BCGFFCKBPWDQAH-OAHLLOKOSA-N -1 3 394.450 3.432 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1C(=O)N(C)C(C)C ZINC000195343955 1433321023 /nfs/dbraw/zinc/32/10/23/1433321023.db2.gz NWGGMOAQTIIEMH-UHFFFAOYSA-N -1 3 388.489 3.211 20 0 GGADHM COc1c(C)ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C ZINC000195343398 1433321241 /nfs/dbraw/zinc/32/12/41/1433321241.db2.gz ULPJPWITQDGSKP-UHFFFAOYSA-N -1 3 392.459 3.337 20 0 GGADHM O=C(Nc1ccc2scnc2c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000195384522 1433324570 /nfs/dbraw/zinc/32/45/70/1433324570.db2.gz PLEBQFRWYSGJCS-UHFFFAOYSA-N -1 3 391.449 3.128 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)CCc1cccs1)c1ccc2ccccc2c1 ZINC000195406564 1433326208 /nfs/dbraw/zinc/32/62/08/1433326208.db2.gz LCDPXWYWKXRAGD-GOSISDBHSA-N -1 3 389.498 3.278 20 0 GGADHM O=C(Nc1cccc(C(F)F)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000195423311 1433328140 /nfs/dbraw/zinc/32/81/40/1433328140.db2.gz UNSVZPCBYRIUCB-UHFFFAOYSA-N -1 3 384.379 3.456 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc2C[C@@H]1C ZINC000195451026 1433331321 /nfs/dbraw/zinc/33/13/21/1433331321.db2.gz QSCAICTYQXPATQ-ZDUSSCGKSA-N -1 3 386.473 3.110 20 0 GGADHM CO[C@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000195490534 1433336465 /nfs/dbraw/zinc/33/64/65/1433336465.db2.gz VFOYEBYFXDIVPR-CYBMUJFWSA-N -1 3 380.441 3.298 20 0 GGADHM COc1cc(/C=C\C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000207707167 1433354996 /nfs/dbraw/zinc/35/49/96/1433354996.db2.gz ZKBCLXZXLLENGB-FPLPWBNLSA-N -1 3 395.864 3.201 20 0 GGADHM O=C(Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1)c1ccccc1 ZINC000214328923 1433360944 /nfs/dbraw/zinc/36/09/44/1433360944.db2.gz FXJPIXUFAQBUAB-UHFFFAOYSA-N -1 3 385.379 3.075 20 0 GGADHM O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000238088129 1433442570 /nfs/dbraw/zinc/44/25/70/1433442570.db2.gz FZJTUVCAEBCDKU-MRXNPFEDSA-N -1 3 391.855 3.414 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(Cl)nc1Cl ZINC000246790099 1433667143 /nfs/dbraw/zinc/66/71/43/1433667143.db2.gz PKUWLFKTMXAEBL-OASPWFOLSA-N -1 3 377.293 3.014 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000246804290 1433670336 /nfs/dbraw/zinc/67/03/36/1433670336.db2.gz PRXZVPFJWHWVTI-NILFDRSVSA-N -1 3 393.402 3.471 20 0 GGADHM Cc1noc(C)c1COc1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000248045500 1433766019 /nfs/dbraw/zinc/76/60/19/1433766019.db2.gz UYVDJKPCLOYDFL-UHFFFAOYSA-N -1 3 381.314 3.260 20 0 GGADHM Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000248045500 1433766020 /nfs/dbraw/zinc/76/60/20/1433766020.db2.gz UYVDJKPCLOYDFL-UHFFFAOYSA-N -1 3 381.314 3.260 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(F)cc1 ZINC000248245234 1433782592 /nfs/dbraw/zinc/78/25/92/1433782592.db2.gz JETGKJIRLMETIP-UHFFFAOYSA-N -1 3 380.416 3.072 20 0 GGADHM C[C@H](O)C[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000248598952 1433810576 /nfs/dbraw/zinc/81/05/76/1433810576.db2.gz UCQOCAATIUBCKR-NBHGPNQESA-N -1 3 396.487 3.015 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000248879098 1433827381 /nfs/dbraw/zinc/82/73/81/1433827381.db2.gz NUKDTSUCGAWDJC-XHSDSOJGSA-N -1 3 396.553 3.153 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](COC)C3)nc(=O)c2c1C ZINC000253542615 1433868372 /nfs/dbraw/zinc/86/83/72/1433868372.db2.gz IVDXPFWOWDRBTQ-QWHCGFSZSA-N -1 3 393.509 3.301 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](OC)C3)nc(=O)c2c1C ZINC000253540738 1433868479 /nfs/dbraw/zinc/86/84/79/1433868479.db2.gz SLBGPCLKUUUJAV-NWDGAFQWSA-N -1 3 379.482 3.054 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H]3C[C@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000253550061 1433869011 /nfs/dbraw/zinc/86/90/11/1433869011.db2.gz OQJTUMVDCMGOLX-WYRIXSBYSA-N -1 3 393.509 3.127 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCS[C@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253551986 1433869153 /nfs/dbraw/zinc/86/91/53/1433869153.db2.gz DZJVZRADCGVBKX-NEPJUHHUSA-N -1 3 393.534 3.352 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H]3C[C@H](C)O)nc(=O)c2c1C ZINC000253554989 1433869246 /nfs/dbraw/zinc/86/92/46/1433869246.db2.gz XMSPXLFUJSRVSW-DRZSPHRISA-N -1 3 393.509 3.178 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H]3C[C@@H](C)O)nc(=O)c2c1C ZINC000253554991 1433869352 /nfs/dbraw/zinc/86/93/52/1433869352.db2.gz XMSPXLFUJSRVSW-WXHSDQCUSA-N -1 3 393.509 3.178 20 0 GGADHM COC(=O)c1occc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000253614144 1433870595 /nfs/dbraw/zinc/87/05/95/1433870595.db2.gz VWWGIIDMZBROHC-UHFFFAOYSA-N -1 3 382.401 3.193 20 0 GGADHM Cc1sc2ncn(N=Cc3cc(Br)ccc3[O-])c(=O)c2c1C ZINC000254567917 1433871545 /nfs/dbraw/zinc/87/15/45/1433871545.db2.gz VPIQRIAVEZIOKS-UHFFFAOYSA-N -1 3 378.251 3.425 20 0 GGADHM COC(=O)Cc1n[n-]c(NC(=O)C=Cc2ccc(-c3ccc(F)cc3)s2)n1 ZINC000254950097 1433872922 /nfs/dbraw/zinc/87/29/22/1433872922.db2.gz ZSGJEGIUUUVWIS-CLFYSBASSA-N -1 3 386.408 3.040 20 0 GGADHM COC(=O)Cc1nc(NC(=O)C=Cc2ccc(-c3ccc(F)cc3)s2)n[n-]1 ZINC000254950097 1433872923 /nfs/dbraw/zinc/87/29/23/1433872923.db2.gz ZSGJEGIUUUVWIS-CLFYSBASSA-N -1 3 386.408 3.040 20 0 GGADHM CC(C)CC(=O)Nc1cccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255059063 1433875296 /nfs/dbraw/zinc/87/52/96/1433875296.db2.gz JBTQRRKCEKTAGW-UYRXBGFRSA-N -1 3 377.444 3.072 20 0 GGADHM COc1ccccc1C=C(C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccccc1 ZINC000255314717 1433880036 /nfs/dbraw/zinc/88/00/36/1433880036.db2.gz NZCBKKYAVQPMIO-AQTBWJFISA-N -1 3 387.439 3.316 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2ccc(-c3nnc4n3CCCC4)cc2)c2ccccc21 ZINC000255516225 1433884094 /nfs/dbraw/zinc/88/40/94/1433884094.db2.gz YAPALFZLNODOTB-AQTBWJFISA-N -1 3 385.427 3.004 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000255642100 1433887259 /nfs/dbraw/zinc/88/72/59/1433887259.db2.gz PVQWGWHXDUQWRS-VRDNEKECSA-N -1 3 376.456 3.363 20 0 GGADHM O=C(Nc1ccccn1)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255919215 1433892013 /nfs/dbraw/zinc/89/20/13/1433892013.db2.gz DRTLOTMXYTWXNF-AQTBWJFISA-N -1 3 384.395 3.057 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C4(N)CCC4)no3)c2)c1 ZINC000261673064 1433898654 /nfs/dbraw/zinc/89/86/54/1433898654.db2.gz GJRYSAJALIMMOX-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C4(N)CCC4)no3)c2)cc1 ZINC000261747508 1433901775 /nfs/dbraw/zinc/90/17/75/1433901775.db2.gz BXHKQPHROIZPHV-UHFFFAOYSA-N -1 3 384.461 3.184 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C4(N)CCC4)no3)ccc2C)c1 ZINC000261811910 1433905020 /nfs/dbraw/zinc/90/50/20/1433905020.db2.gz PVMZYSZFPCVCID-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000262086906 1433926296 /nfs/dbraw/zinc/92/62/96/1433926296.db2.gz FYYXSMOOUHFINF-LDQXTDLNSA-N -1 3 384.501 3.140 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000262086909 1433926470 /nfs/dbraw/zinc/92/64/70/1433926470.db2.gz FYYXSMOOUHFINF-NBHGPNQESA-N -1 3 384.501 3.140 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2cccs2)cc1 ZINC000262088161 1433926774 /nfs/dbraw/zinc/92/67/74/1433926774.db2.gz GBSGIRMSSOJJAK-UCNVEGJOSA-N -1 3 398.528 3.449 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000263113090 1433986843 /nfs/dbraw/zinc/98/68/43/1433986843.db2.gz BVDXAIRMYBEIOL-DUXKGJEZSA-N -1 3 380.488 3.129 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000263202100 1433994355 /nfs/dbraw/zinc/99/43/55/1433994355.db2.gz VHDIHKZYGYVKCZ-OAQYLSRUSA-N -1 3 376.472 3.284 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000263213809 1433995467 /nfs/dbraw/zinc/99/54/67/1433995467.db2.gz ZLHFBNHFFVPWDW-NSHDSACASA-N -1 3 398.385 3.097 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000263328713 1434002252 /nfs/dbraw/zinc/00/22/52/1434002252.db2.gz LBIHBSZXNWRUQT-UKRRQHHQSA-N -1 3 398.425 3.239 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263332961 1434002522 /nfs/dbraw/zinc/00/25/22/1434002522.db2.gz CTRZPMVTPDBUIP-KRWDZBQOSA-N -1 3 381.904 3.229 20 0 GGADHM CN(CCC(=O)[O-])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000263384189 1434004696 /nfs/dbraw/zinc/00/46/96/1434004696.db2.gz CMRWRRREAMDSAU-UHFFFAOYSA-N -1 3 379.254 3.330 20 0 GGADHM CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000263423275 1434006146 /nfs/dbraw/zinc/00/61/46/1434006146.db2.gz PPJDFGSXQJPORJ-OAQYLSRUSA-N -1 3 379.460 3.337 20 0 GGADHM COc1cc(Br)c(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(OC)c1 ZINC000263496598 1434009100 /nfs/dbraw/zinc/00/91/00/1434009100.db2.gz JUKHLXRHADZIFX-APPDUMDISA-N -1 3 384.270 3.153 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c([O-])c1 ZINC000263710969 1434024009 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390.443 3.299 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1[O-] ZINC000265347622 1434222327 /nfs/dbraw/zinc/22/23/27/1434222327.db2.gz QBOUNYZWDPGJEU-UHFFFAOYSA-N -1 3 381.388 3.493 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c(C)c1 ZINC000265444144 1434235130 /nfs/dbraw/zinc/23/51/30/1434235130.db2.gz LONBYZKSKVXDAK-UHFFFAOYSA-N -1 3 392.477 3.088 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000265724853 1434260591 /nfs/dbraw/zinc/26/05/91/1434260591.db2.gz OOGWCJBUDKUZAM-UHFFFAOYSA-N -1 3 377.397 3.480 20 0 GGADHM COc1cc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000265731475 1434261006 /nfs/dbraw/zinc/26/10/06/1434261006.db2.gz KOBPEGSCKGULFB-LLVKDONJSA-N -1 3 378.400 3.118 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](SC)c2ccccc2)cc1OC ZINC000265754291 1434262715 /nfs/dbraw/zinc/26/27/15/1434262715.db2.gz FOTASQQAQILQFK-QGZVFWFLSA-N -1 3 394.518 3.500 20 0 GGADHM COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000265802462 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20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)c(C)c1C ZINC000266547127 1434348456 /nfs/dbraw/zinc/34/84/56/1434348456.db2.gz HQTUVWOZJVJMHS-UHFFFAOYSA-N -1 3 390.461 3.378 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1OC ZINC000266573188 1434350692 /nfs/dbraw/zinc/35/06/92/1434350692.db2.gz YFEQBAXUQGYZQQ-BBRMVZONSA-N -1 3 381.498 3.253 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1OC ZINC000266573193 1434350806 /nfs/dbraw/zinc/35/08/06/1434350806.db2.gz YFEQBAXUQGYZQQ-CZUORRHYSA-N -1 3 381.498 3.253 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1N1CCOC1=O ZINC000266605291 1434353774 /nfs/dbraw/zinc/35/37/74/1434353774.db2.gz QBZUPHSNQQAWDV-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cccc1N1CCOC1=O ZINC000266626950 1434355835 /nfs/dbraw/zinc/35/58/35/1434355835.db2.gz URMROODJUFJGNX-GFCCVEGCSA-N -1 3 388.445 3.076 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)cc1C ZINC000266642163 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KOJDXJNFPAXTGC-CQSZACIVSA-N -1 3 386.514 3.237 20 0 GGADHM CC[C@@H](C)CSCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[n-]1 ZINC000268135169 1434497003 /nfs/dbraw/zinc/49/70/03/1434497003.db2.gz UGMAGYPOTLWKBH-SECBINFHSA-N -1 3 398.506 3.178 20 0 GGADHM CC[C@H](C)CSCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[n-]1 ZINC000268135171 1434497033 /nfs/dbraw/zinc/49/70/33/1434497033.db2.gz UGMAGYPOTLWKBH-VIFPVBQESA-N -1 3 398.506 3.178 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC3(C)CCCCC3)c2)n1 ZINC000268166055 1434499228 /nfs/dbraw/zinc/49/92/28/1434499228.db2.gz KPRHUSOOTHMPBE-UHFFFAOYSA-N -1 3 396.491 3.437 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000268287515 1434508805 /nfs/dbraw/zinc/50/88/05/1434508805.db2.gz QZXCFGOLOBXILE-ZFWWWQNUSA-N -1 3 395.475 3.366 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(NC(=O)OC(C)(C)C)CC3)c2)n1 ZINC000268370956 1434516382 /nfs/dbraw/zinc/51/63/82/1434516382.db2.gz UGXUBHCZGHXGMD-UHFFFAOYSA-N -1 3 398.463 3.407 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1 ZINC000268580258 1434536145 /nfs/dbraw/zinc/53/61/45/1434536145.db2.gz KDUSHEOWYYJFSX-NSHDSACASA-N -1 3 377.466 3.022 20 0 GGADHM CCOc1cc(C)ccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000268627106 1434541617 /nfs/dbraw/zinc/54/16/17/1434541617.db2.gz LMCUVFFYQGSCKU-UHFFFAOYSA-N -1 3 383.448 3.089 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000268755123 1434553337 /nfs/dbraw/zinc/55/33/37/1434553337.db2.gz UDMPUZDAYWQFNZ-AWEZNQCLSA-N -1 3 385.464 3.460 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3CC[C@@H](C)C[C@@H]3C)nc(=O)c2c1C ZINC000269404747 1434639439 /nfs/dbraw/zinc/63/94/39/1434639439.db2.gz DPZIWAPPPXYLEQ-NEPJUHHUSA-N -1 3 393.509 3.129 20 0 GGADHM CCCCCc1ccc(C(=O)CCC(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000269696891 1434670221 /nfs/dbraw/zinc/67/02/21/1434670221.db2.gz IQRTXPVIBKXABM-UHFFFAOYSA-N -1 3 381.476 3.463 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(SC)cc2)ccc1OC ZINC000269734570 1434672803 /nfs/dbraw/zinc/67/28/03/1434672803.db2.gz ZTUVZSZFWWGYOD-UHFFFAOYSA-N -1 3 394.518 3.244 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C)C[C@H](C)C2)cc1OC ZINC000269811157 1434677606 /nfs/dbraw/zinc/67/76/06/1434677606.db2.gz UUGIEOIYMZFFKV-KBPBESRZSA-N -1 3 383.514 3.357 20 0 GGADHM COc1cc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000269928818 1434687759 /nfs/dbraw/zinc/68/77/59/1434687759.db2.gz KSGHESJYJQSBNT-KRWDZBQOSA-N -1 3 377.824 3.277 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)s1 ZINC000269962478 1434690516 /nfs/dbraw/zinc/69/05/16/1434690516.db2.gz JFQYQQDAOQGPFL-FZKQIMNGSA-N -1 3 396.534 3.055 20 0 GGADHM COc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc(OC)c1[O-] ZINC000269964953 1434690689 /nfs/dbraw/zinc/69/06/89/1434690689.db2.gz UDLBDIVNSGGZAI-IBGZPJMESA-N -1 3 385.416 3.062 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000269966352 1434690738 /nfs/dbraw/zinc/69/07/38/1434690738.db2.gz UOOJELZVECVRKC-CQSZACIVSA-N -1 3 387.407 3.284 20 0 GGADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000269977874 1434691374 /nfs/dbraw/zinc/69/13/74/1434691374.db2.gz XRCHHGUKPKNTJL-UHFFFAOYSA-N -1 3 386.448 3.209 20 0 GGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)c(OC)c1 ZINC000269981537 1434691663 /nfs/dbraw/zinc/69/16/63/1434691663.db2.gz YSZQKUJGFIKSFS-MRXNPFEDSA-N -1 3 387.432 3.404 20 0 GGADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1OCC(=O)NC(C)C ZINC000270027110 1434694435 /nfs/dbraw/zinc/69/44/35/1434694435.db2.gz FPZHTVNMRWWQMF-UHFFFAOYSA-N -1 3 392.839 3.210 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)c1 ZINC000270049778 1434696670 /nfs/dbraw/zinc/69/66/70/1434696670.db2.gz MZQXTCWDZDGTCY-UHFFFAOYSA-N -1 3 383.448 3.338 20 0 GGADHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270054719 1434696985 /nfs/dbraw/zinc/69/69/85/1434696985.db2.gz OPEAQESXKAIRKU-GOSISDBHSA-N -1 3 398.459 3.181 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC=C(C)CC3)c2)c1 ZINC000270081268 1434700490 /nfs/dbraw/zinc/70/04/90/1434700490.db2.gz DWPVEYOOSOOESR-UHFFFAOYSA-N -1 3 396.443 3.454 20 0 GGADHM COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc(OC)c1[O-] ZINC000270604339 1434749545 /nfs/dbraw/zinc/74/95/45/1434749545.db2.gz MMGTUQQNCUGRJY-UHFFFAOYSA-N -1 3 381.432 3.306 20 0 GGADHM COc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc(OC)c1[O-] ZINC000270625490 1434752739 /nfs/dbraw/zinc/75/27/39/1434752739.db2.gz GMJYAMBNPFNUSZ-CQSZACIVSA-N -1 3 377.462 3.292 20 0 GGADHM COc1cc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc(OC)c1[O-] ZINC000270634879 1434753877 /nfs/dbraw/zinc/75/38/77/1434753877.db2.gz FAVAPMRQKYJPGL-UHFFFAOYSA-N -1 3 386.448 3.324 20 0 GGADHM O=C(Nc1ccc(OCC2CC2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000270661900 1434757920 /nfs/dbraw/zinc/75/79/20/1434757920.db2.gz ASGQYNWHBINFKQ-UHFFFAOYSA-N -1 3 395.459 3.171 20 0 GGADHM COc1cc(C(=O)NCc2ccccc2OCC(F)(F)F)cc(OC)c1[O-] ZINC000270683459 1434761583 /nfs/dbraw/zinc/76/15/83/1434761583.db2.gz TZCYDFCCFWRITB-UHFFFAOYSA-N -1 3 385.338 3.281 20 0 GGADHM COc1cc(C(=O)N(C)Cc2ccc(SC)c(OC)c2)cc(OC)c1[O-] ZINC000270717745 1434765989 /nfs/dbraw/zinc/76/59/89/1434765989.db2.gz QJMZKWWVZUXXSR-UHFFFAOYSA-N -1 3 377.462 3.412 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)cc(OC)c1[O-] ZINC000271003380 1434794864 /nfs/dbraw/zinc/79/48/64/1434794864.db2.gz GCVSUZXKGBCPDE-INIZCTEOSA-N -1 3 395.459 3.372 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000271110665 1434802711 /nfs/dbraw/zinc/80/27/11/1434802711.db2.gz IVSCAMYJZWKRHF-AEFFLSMTSA-N -1 3 398.507 3.195 20 0 GGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3c([O-])cccc3O)C2)cc1 ZINC000271232937 1434809835 /nfs/dbraw/zinc/80/98/35/1434809835.db2.gz AAFROFCBEHCLDP-HNNXBMFYSA-N -1 3 383.448 3.080 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@@H](C(C)C)C2)c1 ZINC000271251580 1434810882 /nfs/dbraw/zinc/81/08/82/1434810882.db2.gz HKPUFMBCHGHZAC-QGZVFWFLSA-N -1 3 389.477 3.155 20 0 GGADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271262005 1434811602 /nfs/dbraw/zinc/81/16/02/1434811602.db2.gz KVBHZVXQBFQPRG-KGLIPLIRSA-N -1 3 377.462 3.078 20 0 GGADHM CCC(CC)N(CCOC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271280653 1434812804 /nfs/dbraw/zinc/81/28/04/1434812804.db2.gz NVEKCOXNHSPPTP-UHFFFAOYSA-N -1 3 389.452 3.218 20 0 GGADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271292700 1434813623 /nfs/dbraw/zinc/81/36/23/1434813623.db2.gz GHDXKBDPSIZLEB-UHFFFAOYSA-N -1 3 386.473 3.469 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cccc1N1CCOC1=O ZINC000271315772 1434815423 /nfs/dbraw/zinc/81/54/23/1434815423.db2.gz NAROUTMRWSKHSA-UHFFFAOYSA-N -1 3 388.445 3.077 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C12CCC2 ZINC000271325834 1434816385 /nfs/dbraw/zinc/81/63/85/1434816385.db2.gz YGNIXYLADQNLRR-ROUUACIJSA-N -1 3 399.447 3.018 20 0 GGADHM CCN(CC1CCN(C(=O)c2c([O-])cccc2O)CC1)C(=O)OC(C)(C)C ZINC000271345316 1434817823 /nfs/dbraw/zinc/81/78/23/1434817823.db2.gz PALHZAKWZFBDMJ-UHFFFAOYSA-N -1 3 378.469 3.207 20 0 GGADHM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)c2)n1C ZINC000271381539 1434820552 /nfs/dbraw/zinc/82/05/52/1434820552.db2.gz OHQVOCYESLSVLY-UHFFFAOYSA-N -1 3 386.477 3.379 20 0 GGADHM COc1ccccc1COC1CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000271388742 1434821156 /nfs/dbraw/zinc/82/11/56/1434821156.db2.gz IPSINFBUBGWYNX-UHFFFAOYSA-N -1 3 398.459 3.181 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)C3CCC3)c2)c1 ZINC000271392501 1434821379 /nfs/dbraw/zinc/82/13/79/1434821379.db2.gz MFYCIUSNDYHWSH-UHFFFAOYSA-N -1 3 384.432 3.286 20 0 GGADHM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000271397923 1434821780 /nfs/dbraw/zinc/82/17/80/1434821780.db2.gz UDZUETZHZIEVPS-UHFFFAOYSA-N -1 3 397.518 3.128 20 0 GGADHM COC(=O)c1sc2[n-]c(CNC3(c4cccc(OC)c4)CC3)nc(=O)c2c1C ZINC000271725259 1434846261 /nfs/dbraw/zinc/84/62/61/1434846261.db2.gz QVKWBJDIIPVOFE-UHFFFAOYSA-N -1 3 399.472 3.279 20 0 GGADHM CSc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000271727854 1434846439 /nfs/dbraw/zinc/84/64/39/1434846439.db2.gz RLRSQBNNNFECFV-UHFFFAOYSA-N -1 3 385.489 3.412 20 0 GGADHM CSc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000271745133 1434847536 /nfs/dbraw/zinc/84/75/36/1434847536.db2.gz WJLQXKOFLIVREH-UHFFFAOYSA-N -1 3 385.489 3.412 20 0 GGADHM CCCCc1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)s1 ZINC000271750170 1434847899 /nfs/dbraw/zinc/84/78/99/1434847899.db2.gz SEVUDHCTFLVIGX-UHFFFAOYSA-N -1 3 397.522 3.324 20 0 GGADHM O=C(NOC1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000271846312 1434854470 /nfs/dbraw/zinc/85/44/70/1434854470.db2.gz ZEMBPHBKGNFEME-UHFFFAOYSA-N -1 3 378.425 3.231 20 0 GGADHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000271990437 1434864066 /nfs/dbraw/zinc/86/40/66/1434864066.db2.gz GFBGWSJYHVZQDJ-BLLLJJGKSA-N -1 3 375.444 3.433 20 0 GGADHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000271990441 1434864151 /nfs/dbraw/zinc/86/41/51/1434864151.db2.gz GFBGWSJYHVZQDJ-LRDDRELGSA-N -1 3 375.444 3.433 20 0 GGADHM C[C@@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000271994785 1434864538 /nfs/dbraw/zinc/86/45/38/1434864538.db2.gz MATHHAMMPUQFGT-TZMCWYRMSA-N -1 3 380.872 3.038 20 0 GGADHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 ZINC000272072751 1434870278 /nfs/dbraw/zinc/87/02/78/1434870278.db2.gz KMRZQAIMEOFCHU-HNNXBMFYSA-N -1 3 392.477 3.401 20 0 GGADHM O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[N-]OC1CCCC1 ZINC000272104454 1434872383 /nfs/dbraw/zinc/87/23/83/1434872383.db2.gz MFFDRHVDEKLCNS-UHFFFAOYSA-N -1 3 393.534 3.499 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000272342376 1434888776 /nfs/dbraw/zinc/88/87/76/1434888776.db2.gz YZGVYUZAFDGXFI-UHFFFAOYSA-N -1 3 396.369 3.043 20 0 GGADHM CC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCOCC1 ZINC000272669969 1434921113 /nfs/dbraw/zinc/92/11/13/1434921113.db2.gz KIOFTTMEGPDHJK-FQEVSTJZSA-N -1 3 396.487 3.186 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)cc1OC ZINC000272750408 1434928132 /nfs/dbraw/zinc/92/81/32/1434928132.db2.gz OCCHNQWGTDWHST-YOEHRIQHSA-N -1 3 398.525 3.237 20 0 GGADHM COc1ccc(N[C@H](C)c2ccc(NC(C)=O)cc2)cc1[N-]S(C)(=O)=O ZINC000272773635 1434930142 /nfs/dbraw/zinc/93/01/42/1434930142.db2.gz TXEBJVVUDLWNAR-GFCCVEGCSA-N -1 3 377.466 3.198 20 0 GGADHM C[C@]1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCCOC1 ZINC000272938756 1434942435 /nfs/dbraw/zinc/94/24/35/1434942435.db2.gz RPBQNQGPQQKRIO-IBGZPJMESA-N -1 3 380.872 3.039 20 0 GGADHM CCCCCCOc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1OC ZINC000273271210 1434977152 /nfs/dbraw/zinc/97/71/52/1434977152.db2.gz RHZWKJVCSZANOH-UHFFFAOYSA-N -1 3 385.464 3.348 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000273338422 1434981772 /nfs/dbraw/zinc/98/17/72/1434981772.db2.gz ABUNGBHRTZUHAF-CYBMUJFWSA-N -1 3 397.504 3.204 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000273365289 1434983438 /nfs/dbraw/zinc/98/34/38/1434983438.db2.gz WUZKKRWNAMWVPB-OAHLLOKOSA-N -1 3 399.447 3.163 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000273365286 1434983480 /nfs/dbraw/zinc/98/34/80/1434983480.db2.gz WUZKKRWNAMWVPB-HNNXBMFYSA-N -1 3 399.447 3.163 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c([O-])c1 ZINC000273449556 1434989418 /nfs/dbraw/zinc/98/94/18/1434989418.db2.gz BVLBADKTWDIPGF-KRWDZBQOSA-N -1 3 396.365 3.055 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOCC2(CCOCC2)C1 ZINC000273482728 1434991656 /nfs/dbraw/zinc/99/16/56/1434991656.db2.gz LJEHSYNEHRXGAB-UHFFFAOYSA-N -1 3 383.444 3.454 20 0 GGADHM Cc1cnc([C@H](C)CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000273486747 1434991806 /nfs/dbraw/zinc/99/18/06/1434991806.db2.gz NHKZXHWXJVZXIX-GFCCVEGCSA-N -1 3 397.504 3.170 20 0 GGADHM Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)[N-]OCC(N)=O ZINC000273547921 1434995937 /nfs/dbraw/zinc/99/59/37/1434995937.db2.gz ZVMHRVYKEYRKPY-UHFFFAOYSA-N -1 3 399.426 3.270 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273623269 1435000342 /nfs/dbraw/zinc/00/03/42/1435000342.db2.gz ZUJANCOLFOOKKF-XLIONFOSSA-N -1 3 386.423 3.482 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273623274 1435000382 /nfs/dbraw/zinc/00/03/82/1435000382.db2.gz ZUJANCOLFOOKKF-YLJYHZDGSA-N -1 3 386.423 3.482 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc(OC)c1[O-] ZINC000273852659 1435021625 /nfs/dbraw/zinc/02/16/25/1435021625.db2.gz LXUXPUDDLMQZIG-CYBMUJFWSA-N -1 3 375.446 3.349 20 0 GGADHM CCOCCS(=O)(=O)[N-]Cc1nc(-c2ccc(SC(C)(C)C)cc2)no1 ZINC000273943463 1435030744 /nfs/dbraw/zinc/03/07/44/1435030744.db2.gz JKTQRDMARAVODU-UHFFFAOYSA-N -1 3 399.538 3.083 20 0 GGADHM CN(C(=O)Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1)c1ccccc1 ZINC000274241919 1435054137 /nfs/dbraw/zinc/05/41/37/1435054137.db2.gz UORHDMIDDBJWRN-FQEVSTJZSA-N -1 3 383.448 3.472 20 0 GGADHM CN(C(=O)Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1)c1ccccc1 ZINC000274241919 1435054140 /nfs/dbraw/zinc/05/41/40/1435054140.db2.gz UORHDMIDDBJWRN-FQEVSTJZSA-N -1 3 383.448 3.472 20 0 GGADHM CN(C(=O)Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000274241920 1435054243 /nfs/dbraw/zinc/05/42/43/1435054243.db2.gz UORHDMIDDBJWRN-HXUWFJFHSA-N -1 3 383.448 3.472 20 0 GGADHM CN(C(=O)Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000274241920 1435054247 /nfs/dbraw/zinc/05/42/47/1435054247.db2.gz UORHDMIDDBJWRN-HXUWFJFHSA-N -1 3 383.448 3.472 20 0 GGADHM COc1cc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc(OC)c1[O-] ZINC000274392423 1435067340 /nfs/dbraw/zinc/06/73/40/1435067340.db2.gz ITKRPIMYMZFIHD-KRWDZBQOSA-N -1 3 377.824 3.277 20 0 GGADHM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@H](c1ccccc1)N(C)C ZINC000274617827 1435081350 /nfs/dbraw/zinc/08/13/50/1435081350.db2.gz YURQZIQMCVZYBM-SJKOYZFVSA-N -1 3 382.489 3.045 20 0 GGADHM COc1ccccc1[C@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)OC(C)C ZINC000274702228 1435086388 /nfs/dbraw/zinc/08/63/88/1435086388.db2.gz OBDHWMBIGAHKOG-IBGZPJMESA-N -1 3 389.448 3.314 20 0 GGADHM O=C(NCc1ccc(F)cc1)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274753500 1435089875 /nfs/dbraw/zinc/08/98/75/1435089875.db2.gz IEABHBGQOSNOHB-GOSISDBHSA-N -1 3 387.411 3.335 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000274753500 1435089878 /nfs/dbraw/zinc/08/98/78/1435089878.db2.gz IEABHBGQOSNOHB-GOSISDBHSA-N -1 3 387.411 3.335 20 0 GGADHM O=S(=O)(c1ccc(F)cc1)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274766349 1435090730 /nfs/dbraw/zinc/09/07/30/1435090730.db2.gz LIAXIMLFFXNQAB-KRWDZBQOSA-N -1 3 394.424 3.238 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000274766349 1435090733 /nfs/dbraw/zinc/09/07/33/1435090733.db2.gz LIAXIMLFFXNQAB-KRWDZBQOSA-N -1 3 394.424 3.238 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000274780206 1435091891 /nfs/dbraw/zinc/09/18/91/1435091891.db2.gz YZQKIXHRHHPMDA-SFHVURJKSA-N -1 3 392.814 3.357 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC([O-])=NO[C@@H]2CCCCO2)C1 ZINC000274910581 1435102929 /nfs/dbraw/zinc/10/29/29/1435102929.db2.gz NCHFBAYAASPULB-IIDMSEBBSA-N -1 3 375.469 3.384 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000274910581 1435102932 /nfs/dbraw/zinc/10/29/32/1435102932.db2.gz NCHFBAYAASPULB-IIDMSEBBSA-N -1 3 375.469 3.384 20 0 GGADHM COc1cc(-c2nc(-c3cccc(N4CCCC4=O)c3)no2)cc(OC)c1[O-] ZINC000274981507 1435107514 /nfs/dbraw/zinc/10/75/14/1435107514.db2.gz JVKUACCJUKIMGQ-UHFFFAOYSA-N -1 3 381.388 3.253 20 0 GGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c(N2CCOC2=O)c1 ZINC000275022585 1435110566 /nfs/dbraw/zinc/11/05/66/1435110566.db2.gz QBXIDKGGQNJUQP-UHFFFAOYSA-N -1 3 376.434 3.015 20 0 GGADHM COc1cc(-c2nc(-c3ccc(CN4CCCC4=O)cc3)no2)cc(OC)c1[O-] ZINC000275029561 1435111159 /nfs/dbraw/zinc/11/11/59/1435111159.db2.gz VRCKSESUXJMTME-UHFFFAOYSA-N -1 3 395.415 3.249 20 0 GGADHM COc1cc(-c2nc(Cc3csc([C@@H](C)OC)n3)no2)cc(OC)c1[O-] ZINC000275045720 1435112392 /nfs/dbraw/zinc/11/23/92/1435112392.db2.gz ZPLMSHQWOVSDRZ-SECBINFHSA-N -1 3 377.422 3.214 20 0 GGADHM COc1cc(-c2nc(Cc3csc([C@H](C)OC)n3)no2)cc(OC)c1[O-] ZINC000275045722 1435112403 /nfs/dbraw/zinc/11/24/03/1435112403.db2.gz ZPLMSHQWOVSDRZ-VIFPVBQESA-N -1 3 377.422 3.214 20 0 GGADHM COc1cc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)cc(OC)c1[O-] ZINC000275197152 1435122043 /nfs/dbraw/zinc/12/20/43/1435122043.db2.gz YLQXFSJIJFZDHT-GOSISDBHSA-N -1 3 397.431 3.033 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@@H](C)CC[C@@H]3CC)c2)n1 ZINC000275932273 1435180754 /nfs/dbraw/zinc/18/07/54/1435180754.db2.gz ADAKXTXKLCQGCI-GUYCJALGSA-N -1 3 382.464 3.140 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000276395373 1435209174 /nfs/dbraw/zinc/20/91/74/1435209174.db2.gz VSHYLQXTLJLHPO-CQSZACIVSA-N -1 3 394.397 3.285 20 0 GGADHM COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(O)cc3[O-])CC2)no1 ZINC000276686610 1435225150 /nfs/dbraw/zinc/22/51/50/1435225150.db2.gz IUXMQBQEEFWPKS-UHFFFAOYSA-N -1 3 395.415 3.176 20 0 GGADHM CCCCOc1cc(OCCC)ccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000276721310 1435227565 /nfs/dbraw/zinc/22/75/65/1435227565.db2.gz KNFGNLAZKJTMRH-UHFFFAOYSA-N -1 3 385.464 3.348 20 0 GGADHM CC(C)C(=O)N1CCC(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000276762931 1435230624 /nfs/dbraw/zinc/23/06/24/1435230624.db2.gz MQXKXWDDCAAJCI-UHFFFAOYSA-N -1 3 381.436 3.051 20 0 GGADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000276840460 1435236681 /nfs/dbraw/zinc/23/66/81/1435236681.db2.gz YBTQAFNHIFCAID-LLVKDONJSA-N -1 3 378.436 3.386 20 0 GGADHM CC[C@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000277179712 1435274151 /nfs/dbraw/zinc/27/41/51/1435274151.db2.gz UNNWVPUNXKDIKJ-CRAIPNDOSA-N -1 3 394.899 3.428 20 0 GGADHM COc1ccc(OC)c(CN[C@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000277319453 1435293644 /nfs/dbraw/zinc/29/36/44/1435293644.db2.gz NVKUDYOCYPAVQU-GOSISDBHSA-N -1 3 391.489 3.059 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3CN3CCOCC3)c[n-]c12 ZINC000277327470 1435294359 /nfs/dbraw/zinc/29/43/59/1435294359.db2.gz GDNCCVRBAADXED-UHFFFAOYSA-N -1 3 395.434 3.472 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277369869 1435299605 /nfs/dbraw/zinc/29/96/05/1435299605.db2.gz AIYQKRIDKDAHJT-UHFFFAOYSA-N -1 3 381.350 3.240 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000277380492 1435300368 /nfs/dbraw/zinc/30/03/68/1435300368.db2.gz QUVDYBCPWHJERJ-CQSZACIVSA-N -1 3 381.375 3.499 20 0 GGADHM CCOc1c(OC)cc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2)cc1OC ZINC000277460674 1435306110 /nfs/dbraw/zinc/30/61/10/1435306110.db2.gz VOSGPILTUZYIQD-QGZVFWFLSA-N -1 3 389.448 3.417 20 0 GGADHM CCOc1c(OC)cc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1OC ZINC000277460659 1435306224 /nfs/dbraw/zinc/30/62/24/1435306224.db2.gz VOSGPILTUZYIQD-KRWDZBQOSA-N -1 3 389.448 3.417 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc4ccsc43)CC2)[n-]1 ZINC000277561110 1435313010 /nfs/dbraw/zinc/31/30/10/1435313010.db2.gz AHUYIRIGLZIGHI-UHFFFAOYSA-N -1 3 384.461 3.216 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc4ccsc43)CC2)n[n-]1 ZINC000277561110 1435313012 /nfs/dbraw/zinc/31/30/12/1435313012.db2.gz AHUYIRIGLZIGHI-UHFFFAOYSA-N -1 3 384.461 3.216 20 0 GGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277649020 1435318967 /nfs/dbraw/zinc/31/89/67/1435318967.db2.gz ICPIEEVFBCMBEA-UHFFFAOYSA-N -1 3 376.456 3.398 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccco1 ZINC000277668693 1435320744 /nfs/dbraw/zinc/32/07/44/1435320744.db2.gz HISNCPUBUIMLTF-UHFFFAOYSA-N -1 3 391.367 3.162 20 0 GGADHM COc1cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc(OC)c1[O-] ZINC000277672300 1435320966 /nfs/dbraw/zinc/32/09/66/1435320966.db2.gz SHYKMZDTQAGCPI-UHFFFAOYSA-N -1 3 391.851 3.187 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](C)c3ccc(CC)cc3)CC2)[n-]1 ZINC000277734127 1435325545 /nfs/dbraw/zinc/32/55/45/1435325545.db2.gz HMVSWADEVUSDHN-CQSZACIVSA-N -1 3 399.495 3.194 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](C)c3ccc(CC)cc3)CC2)n[n-]1 ZINC000277734127 1435325546 /nfs/dbraw/zinc/32/55/46/1435325546.db2.gz HMVSWADEVUSDHN-CQSZACIVSA-N -1 3 399.495 3.194 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(SC)cc3)CC2)[n-]1 ZINC000277736487 1435325781 /nfs/dbraw/zinc/32/57/81/1435325781.db2.gz HPIOUFIKSDXDFT-UHFFFAOYSA-N -1 3 389.481 3.115 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(SC)cc3)CC2)n[n-]1 ZINC000277736487 1435325783 /nfs/dbraw/zinc/32/57/83/1435325783.db2.gz HPIOUFIKSDXDFT-UHFFFAOYSA-N -1 3 389.481 3.115 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)[n-]1 ZINC000277763748 1435328309 /nfs/dbraw/zinc/32/83/09/1435328309.db2.gz QPIIUNCVJBXLGB-UHFFFAOYSA-N -1 3 378.432 3.154 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)n[n-]1 ZINC000277763748 1435328311 /nfs/dbraw/zinc/32/83/11/1435328311.db2.gz QPIIUNCVJBXLGB-UHFFFAOYSA-N -1 3 378.432 3.154 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)[n-]1 ZINC000277836012 1435334763 /nfs/dbraw/zinc/33/47/63/1435334763.db2.gz WPKGJEGGEDZTBY-UHFFFAOYSA-N -1 3 396.491 3.199 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)n[n-]1 ZINC000277836012 1435334765 /nfs/dbraw/zinc/33/47/65/1435334765.db2.gz WPKGJEGGEDZTBY-UHFFFAOYSA-N -1 3 396.491 3.199 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Cc3cccc4ccccc43)CC2)[n-]1 ZINC000277838471 1435335065 /nfs/dbraw/zinc/33/50/65/1435335065.db2.gz WUJDHGPENKGDTN-UHFFFAOYSA-N -1 3 392.459 3.083 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Cc3cccc4ccccc43)CC2)n[n-]1 ZINC000277838471 1435335067 /nfs/dbraw/zinc/33/50/67/1435335067.db2.gz WUJDHGPENKGDTN-UHFFFAOYSA-N -1 3 392.459 3.083 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc4c(C)c(C)[nH]c43)CC2)[n-]1 ZINC000277846002 1435335691 /nfs/dbraw/zinc/33/56/91/1435335691.db2.gz XHTOMZZZMWBFJZ-UHFFFAOYSA-N -1 3 395.463 3.099 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc4c(C)c(C)[nH]c43)CC2)n[n-]1 ZINC000277846002 1435335694 /nfs/dbraw/zinc/33/56/94/1435335694.db2.gz XHTOMZZZMWBFJZ-UHFFFAOYSA-N -1 3 395.463 3.099 20 0 GGADHM COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc(OC)c1[O-] ZINC000277884991 1435339039 /nfs/dbraw/zinc/33/90/39/1435339039.db2.gz PUPDVVXNANSRAH-UHFFFAOYSA-N -1 3 389.423 3.370 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)[n-]1 ZINC000277884782 1435339182 /nfs/dbraw/zinc/33/91/82/1435339182.db2.gz WNPOTNOBVZCDLL-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)n[n-]1 ZINC000277884782 1435339185 /nfs/dbraw/zinc/33/91/85/1435339185.db2.gz WNPOTNOBVZCDLL-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)[n-]1 ZINC000277895099 1435340110 /nfs/dbraw/zinc/34/01/10/1435340110.db2.gz XFYDVJLVYZJGBP-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)n[n-]1 ZINC000277895099 1435340113 /nfs/dbraw/zinc/34/01/13/1435340113.db2.gz XFYDVJLVYZJGBP-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000277895723 1435340410 /nfs/dbraw/zinc/34/04/10/1435340410.db2.gz FXXPSFSJRPMVSZ-ZUZCIYMTSA-N -1 3 382.386 3.188 20 0 GGADHM CCOc1ccc(NC(=O)Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000277946937 1435344826 /nfs/dbraw/zinc/34/48/26/1435344826.db2.gz RWHCGNIESGVZPK-UHFFFAOYSA-N -1 3 399.403 3.039 20 0 GGADHM CCC[C@]1(COC)CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000277966046 1435346497 /nfs/dbraw/zinc/34/64/97/1435346497.db2.gz ABPWRBCPFBNSRL-JOCHJYFZSA-N -1 3 398.507 3.293 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(F)(F)F ZINC000278096546 1435358846 /nfs/dbraw/zinc/35/88/46/1435358846.db2.gz JZFCZWIXOFAPKJ-BONVTDFDSA-N -1 3 382.386 3.188 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3c(C)cccc3Cl)CC2)[n-]1 ZINC000278104010 1435359615 /nfs/dbraw/zinc/35/96/15/1435359615.db2.gz RDJDLZILKHCWST-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3c(C)cccc3Cl)CC2)n[n-]1 ZINC000278104010 1435359616 /nfs/dbraw/zinc/35/96/16/1435359616.db2.gz RDJDLZILKHCWST-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](C)c3cc(C)cc(C)c3)CC2)[n-]1 ZINC000278113893 1435360815 /nfs/dbraw/zinc/36/08/15/1435360815.db2.gz KSYBPELUGOKBJV-OAHLLOKOSA-N -1 3 399.495 3.248 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](C)c3cc(C)cc(C)c3)CC2)n[n-]1 ZINC000278113893 1435360816 /nfs/dbraw/zinc/36/08/16/1435360816.db2.gz KSYBPELUGOKBJV-OAHLLOKOSA-N -1 3 399.495 3.248 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)CC2)[n-]1 ZINC000278113891 1435361000 /nfs/dbraw/zinc/36/10/00/1435361000.db2.gz KSYBPELUGOKBJV-HNNXBMFYSA-N -1 3 399.495 3.248 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)CC2)n[n-]1 ZINC000278113891 1435361003 /nfs/dbraw/zinc/36/10/03/1435361003.db2.gz KSYBPELUGOKBJV-HNNXBMFYSA-N -1 3 399.495 3.248 20 0 GGADHM CCOC(=O)c1cc2cc(-n3c(=O)[nH]c(CC(F)(F)F)c3[O-])ccc2s1 ZINC000278131494 1435362584 /nfs/dbraw/zinc/36/25/84/1435362584.db2.gz RDILOUQNXYWYJM-JTQLQIEISA-N -1 3 386.351 3.455 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)CC2)[n-]1 ZINC000278174249 1435366315 /nfs/dbraw/zinc/36/63/15/1435366315.db2.gz ZDOJKGRANJAHKJ-HUUCEWRRSA-N -1 3 399.495 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)CC2)n[n-]1 ZINC000278174249 1435366317 /nfs/dbraw/zinc/36/63/17/1435366317.db2.gz ZDOJKGRANJAHKJ-HUUCEWRRSA-N -1 3 399.495 3.063 20 0 GGADHM O=c1[n-]nc(SCc2cncc(OCc3ccccc3)c2)n1C[C@H]1CCCO1 ZINC000278238654 1435372556 /nfs/dbraw/zinc/37/25/56/1435372556.db2.gz LDYQXXXNGRETHY-QGZVFWFLSA-N -1 3 398.488 3.017 20 0 GGADHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1OCc1ccncc1 ZINC000278270122 1435375242 /nfs/dbraw/zinc/37/52/42/1435375242.db2.gz VCPWGBQPBKRIHW-CYBMUJFWSA-N -1 3 395.337 3.046 20 0 GGADHM CC(C)c1nccn1Cc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278310683 1435378448 /nfs/dbraw/zinc/37/84/48/1435378448.db2.gz XBDFDUPMTPLAEA-AWEZNQCLSA-N -1 3 380.370 3.432 20 0 GGADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000278541526 1435398515 /nfs/dbraw/zinc/39/85/15/1435398515.db2.gz NADCHOSSHZINHO-CYBMUJFWSA-N -1 3 389.477 3.261 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCCCc3ccc(C)cc3)CC2)[n-]1 ZINC000278543311 1435398776 /nfs/dbraw/zinc/39/87/76/1435398776.db2.gz AIWFBIUTKYIIPD-UHFFFAOYSA-N -1 3 398.507 3.409 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)CCCCc3ccc(C)cc3)CC2)n[n-]1 ZINC000278543311 1435398778 /nfs/dbraw/zinc/39/87/78/1435398778.db2.gz AIWFBIUTKYIIPD-UHFFFAOYSA-N -1 3 398.507 3.409 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1C ZINC000278591882 1435403137 /nfs/dbraw/zinc/40/31/37/1435403137.db2.gz FDZCMDFSRBZXCI-UHFFFAOYSA-N -1 3 377.466 3.254 20 0 GGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000278809704 1435425884 /nfs/dbraw/zinc/42/58/84/1435425884.db2.gz OKFHHEZCKVDITK-LLVKDONJSA-N -1 3 383.404 3.202 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000279158349 1435466089 /nfs/dbraw/zinc/46/60/89/1435466089.db2.gz FOTDURSWIHUEBQ-UHFFFAOYSA-N -1 3 388.493 3.254 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC2(CCOCC2)O1 ZINC000279224069 1435473546 /nfs/dbraw/zinc/47/35/46/1435473546.db2.gz OGEJCFUSGQMYBX-KRWDZBQOSA-N -1 3 381.472 3.393 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279241626 1435476032 /nfs/dbraw/zinc/47/60/32/1435476032.db2.gz SONUQKGYZIGFGW-ZIAGYGMSSA-N -1 3 390.892 3.195 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCN(CC(F)(F)F)C3)c2)n1 ZINC000279391140 1435494205 /nfs/dbraw/zinc/49/42/05/1435494205.db2.gz UHIWOTXRINBBQL-ZDUSSCGKSA-N -1 3 394.397 3.234 20 0 GGADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000279710307 1435533765 /nfs/dbraw/zinc/53/37/65/1435533765.db2.gz ASKGGIJIXYGWTD-GXTWGEPZSA-N -1 3 392.883 3.228 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)c(C)c1F ZINC000279930901 1435565429 /nfs/dbraw/zinc/56/54/29/1435565429.db2.gz VSOJHMMNMCDHOR-UHFFFAOYSA-N -1 3 395.456 3.345 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)c(C)c1 ZINC000279938283 1435566437 /nfs/dbraw/zinc/56/64/37/1435566437.db2.gz WZLRPIYSCGIZFE-UHFFFAOYSA-N -1 3 377.466 3.206 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cccc1NC(=O)N(C)C ZINC000279971126 1435570860 /nfs/dbraw/zinc/57/08/60/1435570860.db2.gz OVRRXDBJFXHTLN-GFCCVEGCSA-N -1 3 389.477 3.213 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1C ZINC000280048991 1435582912 /nfs/dbraw/zinc/58/29/12/1435582912.db2.gz XYWWAUFTSYHYCO-UHFFFAOYSA-N -1 3 377.466 3.206 20 0 GGADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000280457224 1435663716 /nfs/dbraw/zinc/66/37/16/1435663716.db2.gz GVDDHYNHELCACR-NXEZZACHSA-N -1 3 392.399 3.021 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)[n-]1 ZINC000280671007 1435700889 /nfs/dbraw/zinc/70/08/89/1435700889.db2.gz BVGRBMSMMVSUOK-UHFFFAOYSA-N -1 3 396.422 3.294 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)n[n-]1 ZINC000280671007 1435700893 /nfs/dbraw/zinc/70/08/93/1435700893.db2.gz BVGRBMSMMVSUOK-UHFFFAOYSA-N -1 3 396.422 3.294 20 0 GGADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1C ZINC000280674265 1435701979 /nfs/dbraw/zinc/70/19/79/1435701979.db2.gz YQWJNTAOBLSKCC-UHFFFAOYSA-N -1 3 376.434 3.299 20 0 GGADHM COc1cccc([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCCC2)c1 ZINC000280868221 1435733381 /nfs/dbraw/zinc/73/33/81/1435733381.db2.gz YBSCWMBIOSXASH-MRXNPFEDSA-N -1 3 376.403 3.246 20 0 GGADHM O=C([N-]CC1CCN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1)C(F)(F)F ZINC000280926129 1435743228 /nfs/dbraw/zinc/74/32/28/1435743228.db2.gz ADCYJPPXTIFUNT-QGZVFWFLSA-N -1 3 397.441 3.108 20 0 GGADHM C[C@@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000281212680 1435797101 /nfs/dbraw/zinc/79/71/01/1435797101.db2.gz NWVKEWIHJBURCB-LBPRGKRZSA-N -1 3 389.393 3.029 20 0 GGADHM CCOc1ccc(C(C)=O)cc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281275875 1435801931 /nfs/dbraw/zinc/80/19/31/1435801931.db2.gz IFZDFVNLJFJGLS-UHFFFAOYSA-N -1 3 386.414 3.178 20 0 GGADHM Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281321547 1435803826 /nfs/dbraw/zinc/80/38/26/1435803826.db2.gz LGGRVHJREWOPKV-AWEZNQCLSA-N -1 3 385.430 3.021 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000281365233 1435805783 /nfs/dbraw/zinc/80/57/83/1435805783.db2.gz OBQPSWJTVLAVRI-ZDUSSCGKSA-N -1 3 396.413 3.497 20 0 GGADHM COc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000281404730 1435807498 /nfs/dbraw/zinc/80/74/98/1435807498.db2.gz XVYCIYNODVWPEA-UHFFFAOYSA-N -1 3 396.356 3.187 20 0 GGADHM Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281435048 1435808773 /nfs/dbraw/zinc/80/87/73/1435808773.db2.gz SVASAHMHOVIETF-CQSZACIVSA-N -1 3 385.430 3.021 20 0 GGADHM CCn1c2cccc(F)c2nc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281446739 1435809282 /nfs/dbraw/zinc/80/92/82/1435809282.db2.gz UICRQIGVNQIVCL-UHFFFAOYSA-N -1 3 386.393 3.086 20 0 GGADHM CC[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(OC)cc1 ZINC000281608107 1435815435 /nfs/dbraw/zinc/81/54/35/1435815435.db2.gz DWRCCGRXTVULMQ-MRXNPFEDSA-N -1 3 386.414 3.106 20 0 GGADHM CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000281697893 1435818715 /nfs/dbraw/zinc/81/87/15/1435818715.db2.gz LUVIKUIMQFDZFF-HNNXBMFYSA-N -1 3 376.844 3.127 20 0 GGADHM O=C(Cc1cccc2ccccc21)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281702937 1435818912 /nfs/dbraw/zinc/81/89/12/1435818912.db2.gz MECTVMKCZPNUFG-UHFFFAOYSA-N -1 3 378.394 3.299 20 0 GGADHM Cc1cccc(OCCCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281716254 1435819321 /nfs/dbraw/zinc/81/93/21/1435819321.db2.gz NDUWCOPEENJALA-UHFFFAOYSA-N -1 3 386.414 3.071 20 0 GGADHM CC[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000281777724 1435821626 /nfs/dbraw/zinc/82/16/26/1435821626.db2.gz UWSAAHUYHIZMEK-RTWAWAEBSA-N -1 3 396.487 3.281 20 0 GGADHM O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281776872 1435821642 /nfs/dbraw/zinc/82/16/42/1435821642.db2.gz RFYYTHZVXUIGFK-UHFFFAOYSA-N -1 3 396.331 3.165 20 0 GGADHM CO[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H](C)C1 ZINC000281782366 1435821942 /nfs/dbraw/zinc/82/19/42/1435821942.db2.gz NDZBMAQXAYDTEC-DQLDELGASA-N -1 3 396.487 3.279 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000281831493 1435823548 /nfs/dbraw/zinc/82/35/48/1435823548.db2.gz OXOLOELXOLRTIC-ZDUSSCGKSA-N -1 3 376.407 3.037 20 0 GGADHM COc1cc(C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cc(OC)c1[O-] ZINC000281870355 1435824889 /nfs/dbraw/zinc/82/48/89/1435824889.db2.gz WGNXTEVHZSROMY-CGSMKXTHSA-N -1 3 375.465 3.219 20 0 GGADHM COc1ccc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000282056866 1435832866 /nfs/dbraw/zinc/83/28/66/1435832866.db2.gz XFIJYDDAUSVHFY-CQSZACIVSA-N -1 3 378.469 3.168 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000282077714 1435833676 /nfs/dbraw/zinc/83/36/76/1435833676.db2.gz NUZRBXFDEKHEMP-GFCCVEGCSA-N -1 3 381.411 3.364 20 0 GGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(N2C(=O)CCCC2=O)cc1 ZINC000282110117 1435835082 /nfs/dbraw/zinc/83/50/82/1435835082.db2.gz YTQHXYFCSUVXQO-UHFFFAOYSA-N -1 3 390.436 3.287 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCN(C)C3=O)cc2C)c(C)c1 ZINC000282129138 1435835664 /nfs/dbraw/zinc/83/56/64/1435835664.db2.gz YNUVLOYGOPLANB-SFHVURJKSA-N -1 3 388.489 3.022 20 0 GGADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000282226099 1435839124 /nfs/dbraw/zinc/83/91/24/1435839124.db2.gz DBSIBCUVUPPDML-AWEZNQCLSA-N -1 3 395.475 3.368 20 0 GGADHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000282226101 1435839171 /nfs/dbraw/zinc/83/91/71/1435839171.db2.gz DBSIBCUVUPPDML-CQSZACIVSA-N -1 3 395.475 3.368 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC23CCOCC3)c1 ZINC000282389459 1435845533 /nfs/dbraw/zinc/84/55/33/1435845533.db2.gz GZTFUVPZMODMHF-GOSISDBHSA-N -1 3 399.447 3.020 20 0 GGADHM CCOCc1cc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)ccc1OC ZINC000282789573 1435860450 /nfs/dbraw/zinc/86/04/50/1435860450.db2.gz LWECLLSRALZTDG-UHFFFAOYSA-N -1 3 394.493 3.224 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000282795148 1435860694 /nfs/dbraw/zinc/86/06/94/1435860694.db2.gz RLZPWNNTDBWNLE-UHFFFAOYSA-N -1 3 398.410 3.343 20 0 GGADHM CC(C)(C(=O)N1CCc2c(=O)[n-]cnc2C1)c1csc(-c2cccs2)n1 ZINC000282842016 1435862608 /nfs/dbraw/zinc/86/26/08/1435862608.db2.gz VTLKSDNYPPEPKY-UHFFFAOYSA-N -1 3 386.502 3.230 20 0 GGADHM CNC(=O)c1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000284160459 1436000786 /nfs/dbraw/zinc/00/07/86/1436000786.db2.gz ISKAWMLMPVQOPS-MRXNPFEDSA-N -1 3 380.366 3.371 20 0 GGADHM CC(C)C[C@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824236068 1441435224 /nfs/dbraw/zinc/43/52/24/1441435224.db2.gz MHSJIFFAGLJKSQ-JXFKEZNVSA-N -1 3 392.507 3.421 20 0 GGADHM CC(C)C[C@H](NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824236068 1441435228 /nfs/dbraw/zinc/43/52/28/1441435228.db2.gz MHSJIFFAGLJKSQ-JXFKEZNVSA-N -1 3 392.507 3.421 20 0 GGADHM O=C(CCN1CCC[C@@H]1c1ccc(F)c(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964959 1441460105 /nfs/dbraw/zinc/46/01/05/1441460105.db2.gz VDNQXHNGYWWYSL-GOSISDBHSA-N -1 3 398.417 3.311 20 0 GGADHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825658891 1441466091 /nfs/dbraw/zinc/46/60/91/1441466091.db2.gz LHOUPUWGLIRZHW-LSDHHAIUSA-N -1 3 399.520 3.008 20 0 GGADHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825658891 1441466093 /nfs/dbraw/zinc/46/60/93/1441466093.db2.gz LHOUPUWGLIRZHW-LSDHHAIUSA-N -1 3 399.520 3.008 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821984393 1441481380 /nfs/dbraw/zinc/48/13/80/1441481380.db2.gz PKTXLMFZVBHKIQ-QWHCGFSZSA-N -1 3 382.493 3.266 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821984393 1441481381 /nfs/dbraw/zinc/48/13/81/1441481381.db2.gz PKTXLMFZVBHKIQ-QWHCGFSZSA-N -1 3 382.493 3.266 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821607538 1441559545 /nfs/dbraw/zinc/55/95/45/1441559545.db2.gz SVTVEIMWTYZLJF-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821607538 1441559548 /nfs/dbraw/zinc/55/95/48/1441559548.db2.gz SVTVEIMWTYZLJF-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM COc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1-c1nn[n-]n1 ZINC000821803213 1441634794 /nfs/dbraw/zinc/63/47/94/1441634794.db2.gz DJKJXBATLWCRTG-AWEZNQCLSA-N -1 3 389.463 3.220 20 0 GGADHM COc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1-c1nnn[n-]1 ZINC000821803213 1441634797 /nfs/dbraw/zinc/63/47/97/1441634797.db2.gz DJKJXBATLWCRTG-AWEZNQCLSA-N -1 3 389.463 3.220 20 0 GGADHM Cc1cccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000826296282 1441695239 /nfs/dbraw/zinc/69/52/39/1441695239.db2.gz QASHDTRRZLBHFS-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1cccc([C@H](C)NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000826296282 1441695241 /nfs/dbraw/zinc/69/52/41/1441695241.db2.gz QASHDTRRZLBHFS-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM C[C@@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000824539438 1441712200 /nfs/dbraw/zinc/71/22/00/1441712200.db2.gz OAVOJKFPCGYPEF-OAHLLOKOSA-N -1 3 388.475 3.333 20 0 GGADHM C[C@@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000824539438 1441712206 /nfs/dbraw/zinc/71/22/06/1441712206.db2.gz OAVOJKFPCGYPEF-OAHLLOKOSA-N -1 3 388.475 3.333 20 0 GGADHM O=C(CCN1CCC[C@H]1c1ccc(F)c(F)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000737845188 1441716335 /nfs/dbraw/zinc/71/63/35/1441716335.db2.gz XSHWKWNTPVLBIV-SFHVURJKSA-N -1 3 398.417 3.311 20 0 GGADHM O=C(CCN1CCC[C@H]1c1ccc(F)c(F)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737845188 1441716340 /nfs/dbraw/zinc/71/63/40/1441716340.db2.gz XSHWKWNTPVLBIV-SFHVURJKSA-N -1 3 398.417 3.311 20 0 GGADHM CCOc1ccc(CN2CCN([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736643840 1441751439 /nfs/dbraw/zinc/75/14/39/1441751439.db2.gz NMTBRYGHDAWWFZ-KRWDZBQOSA-N -1 3 392.507 3.144 20 0 GGADHM c1cc(CN2CCOCC3(CC3)C2)cc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826515729 1441857228 /nfs/dbraw/zinc/85/72/28/1441857228.db2.gz JAYHVHIEDKCGQL-UHFFFAOYSA-N -1 3 391.475 3.058 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2ccco2)N2CCCCC2)c1-c1nn[n-]n1 ZINC000826239466 1441872158 /nfs/dbraw/zinc/87/21/58/1441872158.db2.gz IHQSMVHLILCLDN-AWEZNQCLSA-N -1 3 387.875 3.456 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2ccco2)N2CCCCC2)c1-c1nnn[n-]1 ZINC000826239466 1441872163 /nfs/dbraw/zinc/87/21/63/1441872163.db2.gz IHQSMVHLILCLDN-AWEZNQCLSA-N -1 3 387.875 3.456 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)CC2(C)C)c1-c1nn[n-]n1 ZINC000822015167 1441900388 /nfs/dbraw/zinc/90/03/88/1441900388.db2.gz FEZHOXSIYGUOIQ-ZDUSSCGKSA-N -1 3 399.543 3.459 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)CC2(C)C)c1-c1nnn[n-]1 ZINC000822015167 1441900390 /nfs/dbraw/zinc/90/03/90/1441900390.db2.gz FEZHOXSIYGUOIQ-ZDUSSCGKSA-N -1 3 399.543 3.459 20 0 GGADHM c1nn(Cc2ccccc2)cc1CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826522260 1441938003 /nfs/dbraw/zinc/93/80/03/1441938003.db2.gz SXXFANTYGZCRNZ-OAQYLSRUSA-N -1 3 385.475 3.279 20 0 GGADHM c1nn(Cc2ccccc2)cc1CN[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826522260 1441938007 /nfs/dbraw/zinc/93/80/07/1441938007.db2.gz SXXFANTYGZCRNZ-OAQYLSRUSA-N -1 3 385.475 3.279 20 0 GGADHM CCN1CCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825459718 1441940746 /nfs/dbraw/zinc/94/07/46/1441940746.db2.gz MGCBZLKYICOPMN-FQEVSTJZSA-N -1 3 390.491 3.024 20 0 GGADHM CCN1CCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825459718 1441940749 /nfs/dbraw/zinc/94/07/49/1441940749.db2.gz MGCBZLKYICOPMN-FQEVSTJZSA-N -1 3 390.491 3.024 20 0 GGADHM COc1ccc(OC)c([C@H]2CCCN2CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737108395 1441942374 /nfs/dbraw/zinc/94/23/74/1441942374.db2.gz LEYZTWYBCOYLJW-LJQANCHMSA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccc(OC)c([C@H]2CCCN2CCOc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737108395 1441942375 /nfs/dbraw/zinc/94/23/75/1441942375.db2.gz LEYZTWYBCOYLJW-LJQANCHMSA-N -1 3 395.463 3.100 20 0 GGADHM O[C@@H](CN1CCC(=Cc2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672393 1441968709 /nfs/dbraw/zinc/96/87/09/1441968709.db2.gz DOAAVHCJBNDNSM-FQEVSTJZSA-N -1 3 379.439 3.219 20 0 GGADHM O[C@@H](CN1CCC(=Cc2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823672393 1441968711 /nfs/dbraw/zinc/96/87/11/1441968711.db2.gz DOAAVHCJBNDNSM-FQEVSTJZSA-N -1 3 379.439 3.219 20 0 GGADHM CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825399283 1441973289 /nfs/dbraw/zinc/97/32/89/1441973289.db2.gz OKRLJPRMVILWNA-HOTGVXAUSA-N -1 3 392.507 3.441 20 0 GGADHM CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825399283 1441973290 /nfs/dbraw/zinc/97/32/90/1441973290.db2.gz OKRLJPRMVILWNA-HOTGVXAUSA-N -1 3 392.507 3.441 20 0 GGADHM COCCOc1ccccc1CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826163356 1441975249 /nfs/dbraw/zinc/97/52/49/1441975249.db2.gz QJOQSTODRRIXEW-LJQANCHMSA-N -1 3 379.464 3.059 20 0 GGADHM COCCOc1ccccc1CN[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826163356 1441975251 /nfs/dbraw/zinc/97/52/51/1441975251.db2.gz QJOQSTODRRIXEW-LJQANCHMSA-N -1 3 379.464 3.059 20 0 GGADHM CC(C)[C@H](CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)NC(=O)OC(C)(C)C ZINC000824571687 1441990196 /nfs/dbraw/zinc/99/01/96/1441990196.db2.gz QYOKLAVCSPSVOM-WBMJQRKESA-N -1 3 392.479 3.206 20 0 GGADHM CC(C)[C@H](CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824571687 1441990197 /nfs/dbraw/zinc/99/01/97/1441990197.db2.gz QYOKLAVCSPSVOM-WBMJQRKESA-N -1 3 392.479 3.206 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820402374 1442024913 /nfs/dbraw/zinc/02/49/13/1442024913.db2.gz DCMMDXPFZHQGIU-JYJNAYRXSA-N -1 3 390.491 3.274 20 0 GGADHM CCN(C(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000825372366 1442032702 /nfs/dbraw/zinc/03/27/02/1442032702.db2.gz WFPOQPZVHRCRAR-HUUCEWRRSA-N -1 3 396.470 3.266 20 0 GGADHM CCN(C(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000825372366 1442032706 /nfs/dbraw/zinc/03/27/06/1442032706.db2.gz WFPOQPZVHRCRAR-HUUCEWRRSA-N -1 3 396.470 3.266 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000822191798 1442098521 /nfs/dbraw/zinc/09/85/21/1442098521.db2.gz QYNCAUCSQOVTMP-GOSISDBHSA-N -1 3 378.480 3.107 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000822191798 1442098527 /nfs/dbraw/zinc/09/85/27/1442098527.db2.gz QYNCAUCSQOVTMP-GOSISDBHSA-N -1 3 378.480 3.107 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820432615 1442125038 /nfs/dbraw/zinc/12/50/38/1442125038.db2.gz QZODROUWVCQZJD-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432615 1442125041 /nfs/dbraw/zinc/12/50/41/1442125041.db2.gz QZODROUWVCQZJD-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM CC(C)[C@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736136015 1442153060 /nfs/dbraw/zinc/15/30/60/1442153060.db2.gz ZJEBWNSTDORDBK-UGSOOPFHSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@H](N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736136015 1442153067 /nfs/dbraw/zinc/15/30/67/1442153067.db2.gz ZJEBWNSTDORDBK-UGSOOPFHSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824236073 1442164105 /nfs/dbraw/zinc/16/41/05/1442164105.db2.gz MHSJIFFAGLJKSQ-OXQOHEQNSA-N -1 3 392.507 3.421 20 0 GGADHM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824236073 1442164111 /nfs/dbraw/zinc/16/41/11/1442164111.db2.gz MHSJIFFAGLJKSQ-OXQOHEQNSA-N -1 3 392.507 3.421 20 0 GGADHM COC[C@@H](NCc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000826150555 1442190391 /nfs/dbraw/zinc/19/03/91/1442190391.db2.gz HFJWUNHGLAKMOL-MRXNPFEDSA-N -1 3 377.370 3.363 20 0 GGADHM COC[C@@H](NCc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826150555 1442190394 /nfs/dbraw/zinc/19/03/94/1442190394.db2.gz HFJWUNHGLAKMOL-MRXNPFEDSA-N -1 3 377.370 3.363 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480292 1442233345 /nfs/dbraw/zinc/23/33/45/1442233345.db2.gz AWYZKYOMJYVWMV-XHSDSOJGSA-N -1 3 392.507 3.346 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480292 1442233348 /nfs/dbraw/zinc/23/33/48/1442233348.db2.gz AWYZKYOMJYVWMV-XHSDSOJGSA-N -1 3 392.507 3.346 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820411794 1442263403 /nfs/dbraw/zinc/26/34/03/1442263403.db2.gz JPWXIYIUVRUHKJ-OAGGEKHMSA-N -1 3 390.491 3.274 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820411794 1442263405 /nfs/dbraw/zinc/26/34/05/1442263405.db2.gz JPWXIYIUVRUHKJ-OAGGEKHMSA-N -1 3 390.491 3.274 20 0 GGADHM Cc1ccc(NC(=O)C[C@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000826290567 1442358136 /nfs/dbraw/zinc/35/81/36/1442358136.db2.gz QMPNRQOYUCELHM-AWEZNQCLSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1ccc(NC(=O)C[C@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000826290567 1442358140 /nfs/dbraw/zinc/35/81/40/1442358140.db2.gz QMPNRQOYUCELHM-AWEZNQCLSA-N -1 3 382.443 3.130 20 0 GGADHM c1cc(N2CCCCC2)ncc1CN[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517213 1442368995 /nfs/dbraw/zinc/36/89/95/1442368995.db2.gz VGUINSSQXNTDNV-FQEVSTJZSA-N -1 3 389.507 3.419 20 0 GGADHM CCN1CCN(c2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)c(C)c2)CC1 ZINC000821275921 1442387751 /nfs/dbraw/zinc/38/77/51/1442387751.db2.gz FOPWZWCEYYPWPC-UHFFFAOYSA-N -1 3 395.486 3.068 20 0 GGADHM CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825067814 1442411912 /nfs/dbraw/zinc/41/19/12/1442411912.db2.gz NPLHFFABUNSPSI-GJZGRUSLSA-N -1 3 378.480 3.099 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822237398 1443113765 /nfs/dbraw/zinc/11/37/65/1443113765.db2.gz RRMBCJXANOTUSZ-UHFFFAOYSA-N -1 3 380.521 3.336 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822237398 1443113771 /nfs/dbraw/zinc/11/37/71/1443113771.db2.gz RRMBCJXANOTUSZ-UHFFFAOYSA-N -1 3 380.521 3.336 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](C)c1ccc(Br)cc1 ZINC000826184117 1443117344 /nfs/dbraw/zinc/11/73/44/1443117344.db2.gz LQUWPSIOCYIPIU-LLVKDONJSA-N -1 3 388.269 3.489 20 0 GGADHM Fc1ccc(CN2CCC(OCCc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737652512 1443136606 /nfs/dbraw/zinc/13/66/06/1443136606.db2.gz XWJRBZPYEHATMP-UHFFFAOYSA-N -1 3 381.455 3.230 20 0 GGADHM Fc1ccc(CN2CCC(OCCc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737652512 1443136610 /nfs/dbraw/zinc/13/66/10/1443136610.db2.gz XWJRBZPYEHATMP-UHFFFAOYSA-N -1 3 381.455 3.230 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000826168214 1443230685 /nfs/dbraw/zinc/23/06/85/1443230685.db2.gz GFZPGSWXVAHXMW-UHFFFAOYSA-N -1 3 387.447 3.041 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000826168214 1443230688 /nfs/dbraw/zinc/23/06/88/1443230688.db2.gz GFZPGSWXVAHXMW-UHFFFAOYSA-N -1 3 387.447 3.041 20 0 GGADHM CCN1CCCC[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736569810 1443233025 /nfs/dbraw/zinc/23/30/25/1443233025.db2.gz IZQHKQDZJLNCQD-MRXNPFEDSA-N -1 3 396.520 3.086 20 0 GGADHM CCN1CCCC[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736569810 1443233027 /nfs/dbraw/zinc/23/30/27/1443233027.db2.gz IZQHKQDZJLNCQD-MRXNPFEDSA-N -1 3 396.520 3.086 20 0 GGADHM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC000819914409 1443235209 /nfs/dbraw/zinc/23/52/09/1443235209.db2.gz RSLKDIBLSPBLPP-UHFFFAOYSA-N -1 3 382.443 3.245 20 0 GGADHM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000819914409 1443235213 /nfs/dbraw/zinc/23/52/13/1443235213.db2.gz RSLKDIBLSPBLPP-UHFFFAOYSA-N -1 3 382.443 3.245 20 0 GGADHM CC1CCN([C@@H](CNC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2)CC1 ZINC000820723277 1443261891 /nfs/dbraw/zinc/26/18/91/1443261891.db2.gz YVIPZUHCHUWMMI-KRWDZBQOSA-N -1 3 396.520 3.131 20 0 GGADHM CC1CCN([C@@H](CNC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2)CC1 ZINC000820723277 1443261892 /nfs/dbraw/zinc/26/18/92/1443261892.db2.gz YVIPZUHCHUWMMI-KRWDZBQOSA-N -1 3 396.520 3.131 20 0 GGADHM O[C@H](CNCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000823680846 1443318964 /nfs/dbraw/zinc/31/89/64/1443318964.db2.gz AQAIWHPGSAOTHL-OAHLLOKOSA-N -1 3 382.226 3.136 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000737639868 1443330596 /nfs/dbraw/zinc/33/05/96/1443330596.db2.gz HEGNQOZHCBQTDS-LJQANCHMSA-N -1 3 378.455 3.205 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000737639868 1443330599 /nfs/dbraw/zinc/33/05/99/1443330599.db2.gz HEGNQOZHCBQTDS-LJQANCHMSA-N -1 3 378.455 3.205 20 0 GGADHM C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736135402 1443355763 /nfs/dbraw/zinc/35/57/63/1443355763.db2.gz YBHUHUMAWCULOF-NXEZZACHSA-N -1 3 376.873 3.259 20 0 GGADHM C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736135402 1443355768 /nfs/dbraw/zinc/35/57/68/1443355768.db2.gz YBHUHUMAWCULOF-NXEZZACHSA-N -1 3 376.873 3.259 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555943 1443397664 /nfs/dbraw/zinc/39/76/64/1443397664.db2.gz YUTISZPAJZLDGV-BXUZGUMPSA-N -1 3 388.397 3.214 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555943 1443397666 /nfs/dbraw/zinc/39/76/66/1443397666.db2.gz YUTISZPAJZLDGV-BXUZGUMPSA-N -1 3 388.397 3.214 20 0 GGADHM COc1ccccc1[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)N1CCCC1 ZINC000821883387 1443402637 /nfs/dbraw/zinc/40/26/37/1443402637.db2.gz VCLIVISXSLPPAL-GOSISDBHSA-N -1 3 382.443 3.263 20 0 GGADHM COc1ccccc1[C@@H](CNc1ccc(-c2nnn[n-]2)cc1F)N1CCCC1 ZINC000821883387 1443402641 /nfs/dbraw/zinc/40/26/41/1443402641.db2.gz VCLIVISXSLPPAL-GOSISDBHSA-N -1 3 382.443 3.263 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(Cc2ccccc2)CC1 ZINC000737408092 1443442638 /nfs/dbraw/zinc/44/26/38/1443442638.db2.gz FGQJAIDZWIKTQX-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(Cc2ccccc2)CC1 ZINC000737408092 1443442640 /nfs/dbraw/zinc/44/26/40/1443442640.db2.gz FGQJAIDZWIKTQX-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM C[C@H](NCCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000824584496 1443468078 /nfs/dbraw/zinc/46/80/78/1443468078.db2.gz BMPCGPAAWPZVRW-VIFPVBQESA-N -1 3 394.863 3.400 20 0 GGADHM C[C@H](NCCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000824584496 1443468082 /nfs/dbraw/zinc/46/80/82/1443468082.db2.gz BMPCGPAAWPZVRW-VIFPVBQESA-N -1 3 394.863 3.400 20 0 GGADHM CC(C)CC[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820072105 1443506953 /nfs/dbraw/zinc/50/69/53/1443506953.db2.gz BODALYHFPSJMFM-CQSZACIVSA-N -1 3 376.892 3.359 20 0 GGADHM CC(C)CC[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820072105 1443506955 /nfs/dbraw/zinc/50/69/55/1443506955.db2.gz BODALYHFPSJMFM-CQSZACIVSA-N -1 3 376.892 3.359 20 0 GGADHM CC[C@H](NCCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000825139290 1443521074 /nfs/dbraw/zinc/52/10/74/1443521074.db2.gz DLLMUJHSXIVZBW-AWEZNQCLSA-N -1 3 392.435 3.276 20 0 GGADHM CC[C@H](NCCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000825139290 1443521078 /nfs/dbraw/zinc/52/10/78/1443521078.db2.gz DLLMUJHSXIVZBW-AWEZNQCLSA-N -1 3 392.435 3.276 20 0 GGADHM Cc1ccc([C@H](NC(=O)CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000826284205 1443544235 /nfs/dbraw/zinc/54/42/35/1443544235.db2.gz NBJCOIOMNWATSY-VFNWGFHPSA-N -1 3 390.491 3.093 20 0 GGADHM Cc1ccc([C@H](NC(=O)CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000826284205 1443544238 /nfs/dbraw/zinc/54/42/38/1443544238.db2.gz NBJCOIOMNWATSY-VFNWGFHPSA-N -1 3 390.491 3.093 20 0 GGADHM C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539883 1443544826 /nfs/dbraw/zinc/54/48/26/1443544826.db2.gz QMTPRVHULRJBQX-KUHUBIRLSA-N -1 3 391.454 3.374 20 0 GGADHM C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539883 1443544828 /nfs/dbraw/zinc/54/48/28/1443544828.db2.gz QMTPRVHULRJBQX-KUHUBIRLSA-N -1 3 391.454 3.374 20 0 GGADHM CC(C)[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000824200460 1443570309 /nfs/dbraw/zinc/57/03/09/1443570309.db2.gz RGNNKFZUFPIMAT-KRWDZBQOSA-N -1 3 382.399 3.340 20 0 GGADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C1CC1 ZINC000820862231 1443575527 /nfs/dbraw/zinc/57/55/27/1443575527.db2.gz PWVJMXBVZZWBQE-JQWIXIFHSA-N -1 3 376.530 3.383 20 0 GGADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CC1 ZINC000820862231 1443575532 /nfs/dbraw/zinc/57/55/32/1443575532.db2.gz PWVJMXBVZZWBQE-JQWIXIFHSA-N -1 3 376.530 3.383 20 0 GGADHM C[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577194 1443579549 /nfs/dbraw/zinc/57/95/49/1443579549.db2.gz HUEIBRBPCYEQPY-KDOFPFPSSA-N -1 3 384.459 3.477 20 0 GGADHM C[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577194 1443579553 /nfs/dbraw/zinc/57/95/53/1443579553.db2.gz HUEIBRBPCYEQPY-KDOFPFPSSA-N -1 3 384.459 3.477 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507312 1443609331 /nfs/dbraw/zinc/60/93/31/1443609331.db2.gz WJLBPYNAOKLIEM-GXTWGEPZSA-N -1 3 392.529 3.196 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824507312 1443609333 /nfs/dbraw/zinc/60/93/33/1443609333.db2.gz WJLBPYNAOKLIEM-GXTWGEPZSA-N -1 3 392.529 3.196 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3F)cc2)CC1 ZINC000825464849 1443641981 /nfs/dbraw/zinc/64/19/81/1443641981.db2.gz DVJQIGYMAGNQHZ-OAHLLOKOSA-N -1 3 395.486 3.321 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc2)CC1 ZINC000825464849 1443641984 /nfs/dbraw/zinc/64/19/84/1443641984.db2.gz DVJQIGYMAGNQHZ-OAHLLOKOSA-N -1 3 395.486 3.321 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@H](C(C)(C)C)C1 ZINC000824052344 1443692829 /nfs/dbraw/zinc/69/28/29/1443692829.db2.gz NLDPMWCVGYSBMO-RYUDHWBXSA-N -1 3 388.541 3.112 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@H](C(C)(C)C)C1 ZINC000824052344 1443692835 /nfs/dbraw/zinc/69/28/35/1443692835.db2.gz NLDPMWCVGYSBMO-RYUDHWBXSA-N -1 3 388.541 3.112 20 0 GGADHM COc1ccccc1COC1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826220543 1443697090 /nfs/dbraw/zinc/69/70/90/1443697090.db2.gz RDQMWXDHVAWECE-UHFFFAOYSA-N -1 3 385.493 3.118 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(OCc2ccccn2)c1 ZINC000825961185 1443735395 /nfs/dbraw/zinc/73/53/95/1443735395.db2.gz BSMPQONRZZBQMI-UHFFFAOYSA-N -1 3 386.459 3.473 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(OCc2ccccn2)c1 ZINC000825961185 1443735396 /nfs/dbraw/zinc/73/53/96/1443735396.db2.gz BSMPQONRZZBQMI-UHFFFAOYSA-N -1 3 386.459 3.473 20 0 GGADHM O[C@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680918 1443738475 /nfs/dbraw/zinc/73/84/75/1443738475.db2.gz BIUCMKVCPPVFOC-DLBZAZTESA-N -1 3 392.488 3.347 20 0 GGADHM O[C@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680918 1443738479 /nfs/dbraw/zinc/73/84/79/1443738479.db2.gz BIUCMKVCPPVFOC-DLBZAZTESA-N -1 3 392.488 3.347 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CC[C@@H](C)[C@@H]1C ZINC000820717105 1443740766 /nfs/dbraw/zinc/74/07/66/1443740766.db2.gz NWGFKABPJYWEJX-AGIUHOORSA-N -1 3 388.541 3.254 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CC[C@@H](C)[C@@H]1C ZINC000820717105 1443740768 /nfs/dbraw/zinc/74/07/68/1443740768.db2.gz NWGFKABPJYWEJX-AGIUHOORSA-N -1 3 388.541 3.254 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820414545 1443760305 /nfs/dbraw/zinc/76/03/05/1443760305.db2.gz ZBBCLXXURYWANG-GJZGRUSLSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820414545 1443760307 /nfs/dbraw/zinc/76/03/07/1443760307.db2.gz ZBBCLXXURYWANG-GJZGRUSLSA-N -1 3 376.464 3.405 20 0 GGADHM CC(C)[C@@H](C)NC(=O)CN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824554314 1443824053 /nfs/dbraw/zinc/82/40/53/1443824053.db2.gz OOWTZFGYNXXWCC-HZPDHXFCSA-N -1 3 392.507 3.345 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736129360 1443838396 /nfs/dbraw/zinc/83/83/96/1443838396.db2.gz DIBNYDIBRANANA-NWDGAFQWSA-N -1 3 382.493 3.095 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)C[C@H]2C)c1-c1nn[n-]n1 ZINC000737201430 1443882200 /nfs/dbraw/zinc/88/22/00/1443882200.db2.gz FAXAFUWMCYUMRG-QWHCGFSZSA-N -1 3 385.516 3.069 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)C[C@H]2C)c1-c1nnn[n-]1 ZINC000737201430 1443882203 /nfs/dbraw/zinc/88/22/03/1443882203.db2.gz FAXAFUWMCYUMRG-QWHCGFSZSA-N -1 3 385.516 3.069 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824505517 1443894855 /nfs/dbraw/zinc/89/48/55/1443894855.db2.gz FIWKTSLQZZUMFY-GFCCVEGCSA-N -1 3 392.529 3.053 20 0 GGADHM CCOc1ccccc1[C@@H](C)NCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825654054 1443904037 /nfs/dbraw/zinc/90/40/37/1443904037.db2.gz NLPIINVUSLHRKV-GFCCVEGCSA-N -1 3 386.481 3.006 20 0 GGADHM CCOc1ccccc1[C@@H](C)NCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825654054 1443904039 /nfs/dbraw/zinc/90/40/39/1443904039.db2.gz NLPIINVUSLHRKV-GFCCVEGCSA-N -1 3 386.481 3.006 20 0 GGADHM CC(C)[C@H](CNC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824563834 1443947423 /nfs/dbraw/zinc/94/74/23/1443947423.db2.gz QNJJGEUDJUIBLW-UZLBHIALSA-N -1 3 392.507 3.073 20 0 GGADHM CC(C)[C@H](CNC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824563834 1443947424 /nfs/dbraw/zinc/94/74/24/1443947424.db2.gz QNJJGEUDJUIBLW-UZLBHIALSA-N -1 3 392.507 3.073 20 0 GGADHM Cc1ccc([C@H]2CSCCN2CCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737334179 1443949642 /nfs/dbraw/zinc/94/96/42/1443949642.db2.gz YIBDQRFCMKQYJN-LJQANCHMSA-N -1 3 381.505 3.344 20 0 GGADHM Cc1ccc([C@H]2CSCCN2CCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737334179 1443949644 /nfs/dbraw/zinc/94/96/44/1443949644.db2.gz YIBDQRFCMKQYJN-LJQANCHMSA-N -1 3 381.505 3.344 20 0 GGADHM CC(C)[C@@H](CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)NC(=O)OC(C)(C)C ZINC000824571684 1443967161 /nfs/dbraw/zinc/96/71/61/1443967161.db2.gz QYOKLAVCSPSVOM-BLLLJJGKSA-N -1 3 392.479 3.206 20 0 GGADHM CC(C)[C@@H](CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824571684 1443967163 /nfs/dbraw/zinc/96/71/63/1443967163.db2.gz QYOKLAVCSPSVOM-BLLLJJGKSA-N -1 3 392.479 3.206 20 0 GGADHM C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413520 1443980991 /nfs/dbraw/zinc/98/09/91/1443980991.db2.gz RIQOGJPCHQFIOQ-SUMWQHHRSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820413520 1443980992 /nfs/dbraw/zinc/98/09/92/1443980992.db2.gz RIQOGJPCHQFIOQ-SUMWQHHRSA-N -1 3 396.882 3.366 20 0 GGADHM CN(CCc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821604687 1443987645 /nfs/dbraw/zinc/98/76/45/1443987645.db2.gz AVURKYPGVRKZFL-UHFFFAOYSA-N -1 3 377.370 3.282 20 0 GGADHM CN(CCc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821604687 1443987647 /nfs/dbraw/zinc/98/76/47/1443987647.db2.gz AVURKYPGVRKZFL-UHFFFAOYSA-N -1 3 377.370 3.282 20 0 GGADHM CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824598093 1443993683 /nfs/dbraw/zinc/99/36/83/1443993683.db2.gz BMOMYSCHOYAZCH-HNNXBMFYSA-N -1 3 399.520 3.008 20 0 GGADHM CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824598093 1443993686 /nfs/dbraw/zinc/99/36/86/1443993686.db2.gz BMOMYSCHOYAZCH-HNNXBMFYSA-N -1 3 399.520 3.008 20 0 GGADHM CC(C)[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000824200461 1444016163 /nfs/dbraw/zinc/01/61/63/1444016163.db2.gz RGNNKFZUFPIMAT-QGZVFWFLSA-N -1 3 382.399 3.340 20 0 GGADHM CCCN(Cc1ccccc1F)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825323379 1446095183 /nfs/dbraw/zinc/09/51/83/1446095183.db2.gz VFGRSTGOVOTGGN-UHFFFAOYSA-N -1 3 383.427 3.205 20 0 GGADHM CCCN(Cc1ccccc1F)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825323379 1446095189 /nfs/dbraw/zinc/09/51/89/1446095189.db2.gz VFGRSTGOVOTGGN-UHFFFAOYSA-N -1 3 383.427 3.205 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824324803 1446112094 /nfs/dbraw/zinc/11/20/94/1446112094.db2.gz VZWGZPHYHPFRFB-DJJJIMSYSA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824324803 1446112098 /nfs/dbraw/zinc/11/20/98/1446112098.db2.gz VZWGZPHYHPFRFB-DJJJIMSYSA-N -1 3 385.443 3.177 20 0 GGADHM Clc1cc(NCCCN2CCN(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737566516 1446114649 /nfs/dbraw/zinc/11/46/49/1446114649.db2.gz UFTQRAUOTMOESC-UHFFFAOYSA-N -1 3 397.914 3.144 20 0 GGADHM Clc1cc(NCCCN2CCN(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737566516 1446114653 /nfs/dbraw/zinc/11/46/53/1446114653.db2.gz UFTQRAUOTMOESC-UHFFFAOYSA-N -1 3 397.914 3.144 20 0 GGADHM CCN(C(=O)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000825371806 1446121068 /nfs/dbraw/zinc/12/10/68/1446121068.db2.gz MJJCFKYTBXDQCZ-CABCVRRESA-N -1 3 396.470 3.266 20 0 GGADHM CN1Cc2ccccc2[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000826052684 1446133956 /nfs/dbraw/zinc/13/39/56/1446133956.db2.gz RYHDQRIKRPPIQI-GOSISDBHSA-N -1 3 391.866 3.089 20 0 GGADHM CN1Cc2ccccc2[C@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000826052684 1446133960 /nfs/dbraw/zinc/13/39/60/1446133960.db2.gz RYHDQRIKRPPIQI-GOSISDBHSA-N -1 3 391.866 3.089 20 0 GGADHM O=C(CCN1CC[C@H]1c1ccccc1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822965027 1446143516 /nfs/dbraw/zinc/14/35/16/1446143516.db2.gz XHTTUBMUWWJNDG-HNNXBMFYSA-N -1 3 394.504 3.193 20 0 GGADHM O=C(CCN1CC[C@H]1c1ccccc1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822965027 1446143519 /nfs/dbraw/zinc/14/35/19/1446143519.db2.gz XHTTUBMUWWJNDG-HNNXBMFYSA-N -1 3 394.504 3.193 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736238455 1446170105 /nfs/dbraw/zinc/17/01/05/1446170105.db2.gz ZEBTWTOCIGXABO-UKRRQHHQSA-N -1 3 396.882 3.337 20 0 GGADHM COCCOc1cccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826163202 1446181364 /nfs/dbraw/zinc/18/13/64/1446181364.db2.gz KGDOACZVGOFQMB-UHFFFAOYSA-N -1 3 391.475 3.181 20 0 GGADHM COCCOc1cccc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826163202 1446181369 /nfs/dbraw/zinc/18/13/69/1446181369.db2.gz KGDOACZVGOFQMB-UHFFFAOYSA-N -1 3 391.475 3.181 20 0 GGADHM COc1ccc([C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000821777761 1446219254 /nfs/dbraw/zinc/21/92/54/1446219254.db2.gz MFVHREBQKUVHMV-OLZOCXBDSA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821777761 1446219258 /nfs/dbraw/zinc/21/92/58/1446219258.db2.gz MFVHREBQKUVHMV-OLZOCXBDSA-N -1 3 380.452 3.246 20 0 GGADHM CC(C)[C@@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824554198 1446219982 /nfs/dbraw/zinc/21/99/82/1446219982.db2.gz NMSZTAXRYVHFSX-VBKZILBWSA-N -1 3 396.470 3.170 20 0 GGADHM CC(C)[C@@H](NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824554198 1446219983 /nfs/dbraw/zinc/21/99/83/1446219983.db2.gz NMSZTAXRYVHFSX-VBKZILBWSA-N -1 3 396.470 3.170 20 0 GGADHM C[C@](CO)(NCc1ccc(-c2nn[n-]n2)cc1Br)C1CCCCC1 ZINC000824433679 1446223043 /nfs/dbraw/zinc/22/30/43/1446223043.db2.gz GRPXJMXBGJLZLO-QGZVFWFLSA-N -1 3 394.317 3.050 20 0 GGADHM C[C@](CO)(NCc1ccc(-c2nnn[n-]2)cc1Br)C1CCCCC1 ZINC000824433679 1446223045 /nfs/dbraw/zinc/22/30/45/1446223045.db2.gz GRPXJMXBGJLZLO-QGZVFWFLSA-N -1 3 394.317 3.050 20 0 GGADHM CC(C)[C@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824554313 1446265056 /nfs/dbraw/zinc/26/50/56/1446265056.db2.gz OOWTZFGYNXXWCC-HOTGVXAUSA-N -1 3 392.507 3.345 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@@H]2CCOC2)c1 ZINC000826288456 1446307342 /nfs/dbraw/zinc/30/73/42/1446307342.db2.gz IACQNFKRBZWUAI-DLBZAZTESA-N -1 3 393.491 3.441 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@@H]2CCOC2)c1 ZINC000826288456 1446307346 /nfs/dbraw/zinc/30/73/46/1446307346.db2.gz IACQNFKRBZWUAI-DLBZAZTESA-N -1 3 393.491 3.441 20 0 GGADHM c1cc(OCC2CC2)ncc1CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517964 1446378723 /nfs/dbraw/zinc/37/87/23/1446378723.db2.gz WUFZOYQRRPXMSV-LJQANCHMSA-N -1 3 376.464 3.218 20 0 GGADHM c1cc(OCC2CC2)ncc1CN[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517964 1446378727 /nfs/dbraw/zinc/37/87/27/1446378727.db2.gz WUFZOYQRRPXMSV-LJQANCHMSA-N -1 3 376.464 3.218 20 0 GGADHM CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736132463 1446452162 /nfs/dbraw/zinc/45/21/62/1446452162.db2.gz OJMDWKBTXOOSRA-FZKQIMNGSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736132463 1446452165 /nfs/dbraw/zinc/45/21/65/1446452165.db2.gz OJMDWKBTXOOSRA-FZKQIMNGSA-N -1 3 382.443 3.320 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1OCCOC ZINC000825323470 1446473617 /nfs/dbraw/zinc/47/36/17/1446473617.db2.gz WPQQRZXLCDVFHT-UHFFFAOYSA-N -1 3 381.480 3.304 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1OCCOC ZINC000825323470 1446473619 /nfs/dbraw/zinc/47/36/19/1446473619.db2.gz WPQQRZXLCDVFHT-UHFFFAOYSA-N -1 3 381.480 3.304 20 0 GGADHM C[C@@H](NC[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000820420446 1446532483 /nfs/dbraw/zinc/53/24/83/1446532483.db2.gz QZLZPJWUHURFKQ-BZNIZROVSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@@H](NC[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000820420446 1446532487 /nfs/dbraw/zinc/53/24/87/1446532487.db2.gz QZLZPJWUHURFKQ-BZNIZROVSA-N -1 3 388.269 3.013 20 0 GGADHM CCN(Cc1ccc(C)cc1)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736556538 1446587707 /nfs/dbraw/zinc/58/77/07/1446587707.db2.gz XSSBDOXVTLUWMV-UHFFFAOYSA-N -1 3 388.479 3.222 20 0 GGADHM COc1ccc(CNCc2c(OC)ccc3ccccc32)cc1-c1nnn[n-]1 ZINC000821813303 1446651743 /nfs/dbraw/zinc/65/17/43/1446651743.db2.gz DZXULAZRWHSXBM-UHFFFAOYSA-N -1 3 375.432 3.327 20 0 GGADHM COc1ccc(CNCc2c(OC)ccc3ccccc32)cc1-c1nn[n-]n1 ZINC000821813303 1446651749 /nfs/dbraw/zinc/65/17/49/1446651749.db2.gz DZXULAZRWHSXBM-UHFFFAOYSA-N -1 3 375.432 3.327 20 0 GGADHM C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824906719 1446715404 /nfs/dbraw/zinc/71/54/04/1446715404.db2.gz DGWLSCYQJZIDHC-IYBDPMFKSA-N -1 3 390.491 3.023 20 0 GGADHM CN(C)C(=O)C[C@@H](N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000825841246 1446729748 /nfs/dbraw/zinc/72/97/48/1446729748.db2.gz ULRHHCBKRZOFDN-WOJBJXKFSA-N -1 3 390.491 3.053 20 0 GGADHM CN(C)C(=O)C[C@@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841246 1446729749 /nfs/dbraw/zinc/72/97/49/1446729749.db2.gz ULRHHCBKRZOFDN-WOJBJXKFSA-N -1 3 390.491 3.053 20 0 GGADHM CC(C)N1CC[C@@H](N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1=O ZINC000824547030 1446742080 /nfs/dbraw/zinc/74/20/80/1446742080.db2.gz MIURDPVUCPZKBF-FOIQADDNSA-N -1 3 390.491 3.194 20 0 GGADHM CC(C)N1CC[C@@H](N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1=O ZINC000824547030 1446742084 /nfs/dbraw/zinc/74/20/84/1446742084.db2.gz MIURDPVUCPZKBF-FOIQADDNSA-N -1 3 390.491 3.194 20 0 GGADHM Clc1ccc([C@@H](NCc2cnc3ccc(-c4nn[n-]n4)cn23)C2CC2)cc1 ZINC000737571137 1446752970 /nfs/dbraw/zinc/75/29/70/1446752970.db2.gz SZALQTYWKREDEV-SFHVURJKSA-N -1 3 379.855 3.409 20 0 GGADHM Clc1ccc([C@@H](NCc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)cc1 ZINC000737571137 1446752972 /nfs/dbraw/zinc/75/29/72/1446752972.db2.gz SZALQTYWKREDEV-SFHVURJKSA-N -1 3 379.855 3.409 20 0 GGADHM Cn1cc(CNCc2cc3ccccc3[nH]2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361907 1446771433 /nfs/dbraw/zinc/77/14/33/1446771433.db2.gz VLUIPALXPHWWLJ-UHFFFAOYSA-N -1 3 384.447 3.038 20 0 GGADHM Cn1cc(CNCc2cc3ccccc3[nH]2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361907 1446771436 /nfs/dbraw/zinc/77/14/36/1446771436.db2.gz VLUIPALXPHWWLJ-UHFFFAOYSA-N -1 3 384.447 3.038 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](C)N2CCc3sccc3C2)c1-c1nn[n-]n1 ZINC000826240001 1446775184 /nfs/dbraw/zinc/77/51/84/1446775184.db2.gz XGQZOMSIALXXAV-SNVBAGLBSA-N -1 3 389.916 3.144 20 0 GGADHM CC[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212901 1446821877 /nfs/dbraw/zinc/82/18/77/1446821877.db2.gz URFJUEPPZNSHJI-SWLSCSKDSA-N -1 3 392.529 3.053 20 0 GGADHM Cc1ccccc1[C@@H](C)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826305856 1446835366 /nfs/dbraw/zinc/83/53/66/1446835366.db2.gz KBSBMZVWNXMXEE-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccccc1[C@@H](C)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826305856 1446835372 /nfs/dbraw/zinc/83/53/72/1446835372.db2.gz KBSBMZVWNXMXEE-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1cc(C)cc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822196787 1446844468 /nfs/dbraw/zinc/84/44/68/1446844468.db2.gz XBRGVRFKEHWJBD-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cc(C)cc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822196787 1446844473 /nfs/dbraw/zinc/84/44/73/1446844473.db2.gz XBRGVRFKEHWJBD-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM CC(C)[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N(C)C ZINC000735692793 1446860408 /nfs/dbraw/zinc/86/04/08/1446860408.db2.gz UNHOMSOEDMFMAW-GOSISDBHSA-N -1 3 380.452 3.184 20 0 GGADHM CC1(C)CCC[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801678 1446869267 /nfs/dbraw/zinc/86/92/67/1446869267.db2.gz GCPHISMGDOKFIZ-IBGZPJMESA-N -1 3 396.539 3.117 20 0 GGADHM CC1(C)CCC[C@H](C(=O)N2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824801678 1446869268 /nfs/dbraw/zinc/86/92/68/1446869268.db2.gz GCPHISMGDOKFIZ-IBGZPJMESA-N -1 3 396.539 3.117 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826330626 1446889580 /nfs/dbraw/zinc/88/95/80/1446889580.db2.gz BEULXYJQYKPRTE-ZDUSSCGKSA-N -1 3 377.427 3.351 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826330626 1446889583 /nfs/dbraw/zinc/88/95/83/1446889583.db2.gz BEULXYJQYKPRTE-ZDUSSCGKSA-N -1 3 377.427 3.351 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825043668 1446912716 /nfs/dbraw/zinc/91/27/16/1446912716.db2.gz IWGNIRJTXXKHFD-GOSISDBHSA-N -1 3 390.850 3.392 20 0 GGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000737502772 1446968752 /nfs/dbraw/zinc/96/87/52/1446968752.db2.gz AACAQOAKLVWQOI-UHFFFAOYSA-N -1 3 395.417 3.237 20 0 GGADHM O=C1[C@H](N[C@H]2CCCc3sccc32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476292 1447009302 /nfs/dbraw/zinc/00/93/02/1447009302.db2.gz DYNRHFKVKNMKNA-DLBZAZTESA-N -1 3 394.504 3.091 20 0 GGADHM O=C1[C@H](N[C@H]2CCCc3sccc32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476292 1447009307 /nfs/dbraw/zinc/00/93/07/1447009307.db2.gz DYNRHFKVKNMKNA-DLBZAZTESA-N -1 3 394.504 3.091 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)c1C ZINC000826296868 1447100166 /nfs/dbraw/zinc/10/01/66/1447100166.db2.gz MKQGHTAVSHDAAK-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)c1C ZINC000826296868 1447100167 /nfs/dbraw/zinc/10/01/67/1447100167.db2.gz MKQGHTAVSHDAAK-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM Cc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826306280 1447122131 /nfs/dbraw/zinc/12/21/31/1447122131.db2.gz UZAASSCVNKQKQP-IFXJQAMLSA-N -1 3 376.464 3.243 20 0 GGADHM Cc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826306280 1447122137 /nfs/dbraw/zinc/12/21/37/1447122137.db2.gz UZAASSCVNKQKQP-IFXJQAMLSA-N -1 3 376.464 3.243 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232961 1447132557 /nfs/dbraw/zinc/13/25/57/1447132557.db2.gz DQNICBWLDUJAHQ-CPUCHLNUSA-N -1 3 394.454 3.211 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232961 1447132561 /nfs/dbraw/zinc/13/25/61/1447132561.db2.gz DQNICBWLDUJAHQ-CPUCHLNUSA-N -1 3 394.454 3.211 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000736135410 1447139196 /nfs/dbraw/zinc/13/91/96/1447139196.db2.gz YBHUHUMAWCULOF-ZJUUUORDSA-N -1 3 376.873 3.259 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000736135410 1447139200 /nfs/dbraw/zinc/13/92/00/1447139200.db2.gz YBHUHUMAWCULOF-ZJUUUORDSA-N -1 3 376.873 3.259 20 0 GGADHM CCC(CC)[C@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825095581 1447143228 /nfs/dbraw/zinc/14/32/28/1447143228.db2.gz IVSADSAFWZSXEL-NRFANRHFSA-N -1 3 392.507 3.250 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000826182926 1447145673 /nfs/dbraw/zinc/14/56/73/1447145673.db2.gz YLLFNADZIZVUBK-UHFFFAOYSA-N -1 3 393.491 3.183 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000826182926 1447145674 /nfs/dbraw/zinc/14/56/74/1447145674.db2.gz YLLFNADZIZVUBK-UHFFFAOYSA-N -1 3 393.491 3.183 20 0 GGADHM CC(C)N(CCc1nccs1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824293813 1447172641 /nfs/dbraw/zinc/17/26/41/1447172641.db2.gz YEKJJRJNPFFGRN-UHFFFAOYSA-N -1 3 394.451 3.378 20 0 GGADHM CC(C)N(CCc1nccs1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824293813 1447172645 /nfs/dbraw/zinc/17/26/45/1447172645.db2.gz YEKJJRJNPFFGRN-UHFFFAOYSA-N -1 3 394.451 3.378 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)cc(C)c2)c(-c2nn[n-]n2)c1C ZINC000826264212 1447217680 /nfs/dbraw/zinc/21/76/80/1447217680.db2.gz GBYWITLVGRRVSG-KBPBESRZSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)cc(C)c2)c(-c2nnn[n-]2)c1C ZINC000826264212 1447217684 /nfs/dbraw/zinc/21/76/84/1447217684.db2.gz GBYWITLVGRRVSG-KBPBESRZSA-N -1 3 382.468 3.371 20 0 GGADHM CC(C)NC(=O)Nc1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000824304831 1447294267 /nfs/dbraw/zinc/29/42/67/1447294267.db2.gz FPOJAZLGCCHCSF-ZDUSSCGKSA-N -1 3 397.458 3.387 20 0 GGADHM CC(C)NC(=O)Nc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824304831 1447294268 /nfs/dbraw/zinc/29/42/68/1447294268.db2.gz FPOJAZLGCCHCSF-ZDUSSCGKSA-N -1 3 397.458 3.387 20 0 GGADHM c1cnn(C[C@@H](N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c2ccccc2)c1 ZINC000826520290 1449064277 /nfs/dbraw/zinc/06/42/77/1449064277.db2.gz FHPXXKAHXCSFKO-NHCUHLMSSA-N -1 3 385.475 3.472 20 0 GGADHM c1cnn(C[C@@H](N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c2ccccc2)c1 ZINC000826520290 1449064282 /nfs/dbraw/zinc/06/42/82/1449064282.db2.gz FHPXXKAHXCSFKO-NHCUHLMSSA-N -1 3 385.475 3.472 20 0 GGADHM C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736133834 1449141358 /nfs/dbraw/zinc/14/13/58/1449141358.db2.gz TVUFGSLMCAOAHR-YJYMSZOUSA-N -1 3 394.454 3.464 20 0 GGADHM C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736133834 1449141364 /nfs/dbraw/zinc/14/13/64/1449141364.db2.gz TVUFGSLMCAOAHR-YJYMSZOUSA-N -1 3 394.454 3.464 20 0 GGADHM Cc1cc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)s1 ZINC000826261920 1449142863 /nfs/dbraw/zinc/14/28/63/1449142863.db2.gz XZMHVGMOLHZKOB-UGSOOPFHSA-N -1 3 396.520 3.391 20 0 GGADHM Cc1cc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)s1 ZINC000826261920 1449142867 /nfs/dbraw/zinc/14/28/67/1449142867.db2.gz XZMHVGMOLHZKOB-UGSOOPFHSA-N -1 3 396.520 3.391 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1 ZINC000736368209 1449233939 /nfs/dbraw/zinc/23/39/39/1449233939.db2.gz ATKATIICOINRLB-WFASDCNBSA-N -1 3 396.520 3.485 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1 ZINC000736368209 1449233943 /nfs/dbraw/zinc/23/39/43/1449233943.db2.gz ATKATIICOINRLB-WFASDCNBSA-N -1 3 396.520 3.485 20 0 GGADHM C[C@@H]1SCCN(CCOc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000736303931 1449317910 /nfs/dbraw/zinc/31/79/10/1449317910.db2.gz UONKHLRWNOVKOG-KXBFYZLASA-N -1 3 381.505 3.424 20 0 GGADHM C[C@@H]1SCCN(CCOc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736303931 1449317916 /nfs/dbraw/zinc/31/79/16/1449317916.db2.gz UONKHLRWNOVKOG-KXBFYZLASA-N -1 3 381.505 3.424 20 0 GGADHM C[C@@H](NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000824599985 1449348199 /nfs/dbraw/zinc/34/81/99/1449348199.db2.gz VHJBDBFJQKRFRH-LLVKDONJSA-N -1 3 393.369 3.337 20 0 GGADHM C[C@@H](NCCOc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000824599985 1449348203 /nfs/dbraw/zinc/34/82/03/1449348203.db2.gz VHJBDBFJQKRFRH-LLVKDONJSA-N -1 3 393.369 3.337 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826412201 1449375826 /nfs/dbraw/zinc/37/58/26/1449375826.db2.gz GEZMCJTZICSAHN-MRXNPFEDSA-N -1 3 382.493 3.388 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826412201 1449375835 /nfs/dbraw/zinc/37/58/35/1449375835.db2.gz GEZMCJTZICSAHN-MRXNPFEDSA-N -1 3 382.493 3.388 20 0 GGADHM CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000825465943 1449516442 /nfs/dbraw/zinc/51/64/42/1449516442.db2.gz TZLXUMDSMPRMOU-HNNXBMFYSA-N -1 3 395.486 3.321 20 0 GGADHM CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC000825465943 1449516447 /nfs/dbraw/zinc/51/64/47/1449516447.db2.gz TZLXUMDSMPRMOU-HNNXBMFYSA-N -1 3 395.486 3.321 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000826408423 1449549964 /nfs/dbraw/zinc/54/99/64/1449549964.db2.gz FQPNEMUUDAXOQH-FQEVSTJZSA-N -1 3 391.475 3.007 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000826408423 1449549971 /nfs/dbraw/zinc/54/99/71/1449549971.db2.gz FQPNEMUUDAXOQH-FQEVSTJZSA-N -1 3 391.475 3.007 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000826183962 1449642000 /nfs/dbraw/zinc/64/20/00/1449642000.db2.gz GMWRUSZVBBOGND-HXUWFJFHSA-N -1 3 392.507 3.192 20 0 GGADHM C[C@H](NCc1cnc2ccnn2c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824626627 1449663115 /nfs/dbraw/zinc/66/31/15/1449663115.db2.gz PWFQKJVYHQLSIN-HNNXBMFYSA-N -1 3 396.458 3.427 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736409374 1449727908 /nfs/dbraw/zinc/72/79/08/1449727908.db2.gz IPIUMASTPGBLQD-CYBMUJFWSA-N -1 3 388.522 3.328 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736409374 1449727912 /nfs/dbraw/zinc/72/79/12/1449727912.db2.gz IPIUMASTPGBLQD-CYBMUJFWSA-N -1 3 388.522 3.328 20 0 GGADHM O=C(C[C@@H]1CCCN1CCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000822945449 1449787714 /nfs/dbraw/zinc/78/77/14/1449787714.db2.gz FORDCCSVWDIQCB-HNNXBMFYSA-N -1 3 383.477 3.044 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000825139184 1449810769 /nfs/dbraw/zinc/81/07/69/1449810769.db2.gz CSFCCMVQIJQKER-BMIZZYGASA-N -1 3 391.397 3.447 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820668467 1449859850 /nfs/dbraw/zinc/85/98/50/1449859850.db2.gz SYCMKNUGOSQFCJ-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820668467 1449859857 /nfs/dbraw/zinc/85/98/57/1449859857.db2.gz SYCMKNUGOSQFCJ-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM CCN(CC)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000736534823 1449903127 /nfs/dbraw/zinc/90/31/27/1449903127.db2.gz RRTFJJJDRVDETP-GFCCVEGCSA-N -1 3 395.389 3.369 20 0 GGADHM CCN(CC)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000736534823 1449903131 /nfs/dbraw/zinc/90/31/31/1449903131.db2.gz RRTFJJJDRVDETP-GFCCVEGCSA-N -1 3 395.389 3.369 20 0 GGADHM COCCN(Cc1ccc(OC(C)C)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737003151 1449926879 /nfs/dbraw/zinc/92/68/79/1449926879.db2.gz UXSACUPOYBBTRT-UHFFFAOYSA-N -1 3 381.480 3.303 20 0 GGADHM COc1ccc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000737074988 1449929480 /nfs/dbraw/zinc/92/94/80/1449929480.db2.gz ZTOAKYCEQSQHRD-NSHDSACASA-N -1 3 388.269 3.489 20 0 GGADHM COc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000737074988 1449929484 /nfs/dbraw/zinc/92/94/84/1449929484.db2.gz ZTOAKYCEQSQHRD-NSHDSACASA-N -1 3 388.269 3.489 20 0 GGADHM CCN(CC)[C@H](CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21)c1ccco1 ZINC000821181314 1450083351 /nfs/dbraw/zinc/08/33/51/1450083351.db2.gz LUIZXLXUUWZHEF-QGZVFWFLSA-N -1 3 391.479 3.233 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCC(CN2CCc3ccccc32)CC1 ZINC000737637757 1450122365 /nfs/dbraw/zinc/12/23/65/1450122365.db2.gz CRRZOEWAYQWIMP-UHFFFAOYSA-N -1 3 392.482 3.281 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCC(CN2CCc3ccccc32)CC1 ZINC000737637757 1450122367 /nfs/dbraw/zinc/12/23/67/1450122367.db2.gz CRRZOEWAYQWIMP-UHFFFAOYSA-N -1 3 392.482 3.281 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532443 1450237139 /nfs/dbraw/zinc/23/71/39/1450237139.db2.gz UIYVKAMNLOWUAJ-CHWSQXEVSA-N -1 3 396.426 3.374 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532443 1450237144 /nfs/dbraw/zinc/23/71/44/1450237144.db2.gz UIYVKAMNLOWUAJ-CHWSQXEVSA-N -1 3 396.426 3.374 20 0 GGADHM CN(CCOCC1CC1)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825942157 1450283391 /nfs/dbraw/zinc/28/33/91/1450283391.db2.gz YZDMGRLVFXEQIX-UHFFFAOYSA-N -1 3 393.491 3.304 20 0 GGADHM CN(CCOCC1CC1)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825942157 1450283394 /nfs/dbraw/zinc/28/33/94/1450283394.db2.gz YZDMGRLVFXEQIX-UHFFFAOYSA-N -1 3 393.491 3.304 20 0 GGADHM O[C@H](CNC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681215 1450293918 /nfs/dbraw/zinc/29/39/18/1450293918.db2.gz BTOOSCKLROIJHP-MRXNPFEDSA-N -1 3 389.381 3.198 20 0 GGADHM CCC[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000825225061 1450297447 /nfs/dbraw/zinc/29/74/47/1450297447.db2.gz KJJJCQQRPCTTMT-YWZLYKJASA-N -1 3 392.507 3.441 20 0 GGADHM CCC[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000825225061 1450297451 /nfs/dbraw/zinc/29/74/51/1450297451.db2.gz KJJJCQQRPCTTMT-YWZLYKJASA-N -1 3 392.507 3.441 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c1-c1nn[n-]n1 ZINC000826239461 1450304906 /nfs/dbraw/zinc/30/49/06/1450304906.db2.gz IGQRFPILJYIUMB-AWEZNQCLSA-N -1 3 375.839 3.077 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c1-c1nnn[n-]1 ZINC000826239461 1450304909 /nfs/dbraw/zinc/30/49/09/1450304909.db2.gz IGQRFPILJYIUMB-AWEZNQCLSA-N -1 3 375.839 3.077 20 0 GGADHM O=C(CCN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)Nc1cccc(F)c1 ZINC000826406613 1450361455 /nfs/dbraw/zinc/36/14/55/1450361455.db2.gz FITOSDUNSQWFKT-UHFFFAOYSA-N -1 3 392.438 3.124 20 0 GGADHM CCc1ccc2c(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc(=O)oc2c1 ZINC000821486396 1450366398 /nfs/dbraw/zinc/36/63/98/1450366398.db2.gz FNGFFJAATGCOPZ-CYBMUJFWSA-N -1 3 375.432 3.386 20 0 GGADHM CCc1ccc2c(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000821486396 1450366402 /nfs/dbraw/zinc/36/64/02/1450366402.db2.gz FNGFFJAATGCOPZ-CYBMUJFWSA-N -1 3 375.432 3.386 20 0 GGADHM CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736802834 1450367010 /nfs/dbraw/zinc/36/70/10/1450367010.db2.gz YENLBSUIHROZHQ-UHFFFAOYSA-N -1 3 377.370 3.396 20 0 GGADHM C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824555082 1450370078 /nfs/dbraw/zinc/37/00/78/1450370078.db2.gz UQPAJWXSBMNBHF-CHWSQXEVSA-N -1 3 384.871 3.048 20 0 GGADHM C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824555082 1450370084 /nfs/dbraw/zinc/37/00/84/1450370084.db2.gz UQPAJWXSBMNBHF-CHWSQXEVSA-N -1 3 384.871 3.048 20 0 GGADHM CC(C)NC(=O)Nc1ccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000824304828 1450375414 /nfs/dbraw/zinc/37/54/14/1450375414.db2.gz FPOJAZLGCCHCSF-CYBMUJFWSA-N -1 3 397.458 3.387 20 0 GGADHM CC(C)NC(=O)Nc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824304828 1450375419 /nfs/dbraw/zinc/37/54/19/1450375419.db2.gz FPOJAZLGCCHCSF-CYBMUJFWSA-N -1 3 397.458 3.387 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000824899676 1450376926 /nfs/dbraw/zinc/37/69/26/1450376926.db2.gz MVLFKQPFEZBIDD-JLBUNGTFSA-N -1 3 396.882 3.446 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824899676 1450376929 /nfs/dbraw/zinc/37/69/29/1450376929.db2.gz MVLFKQPFEZBIDD-JLBUNGTFSA-N -1 3 396.882 3.446 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](C)N2CCc3sccc3C2)c1-c1nn[n-]n1 ZINC000826240000 1450381371 /nfs/dbraw/zinc/38/13/71/1450381371.db2.gz XGQZOMSIALXXAV-JTQLQIEISA-N -1 3 389.916 3.144 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000821702269 1450410219 /nfs/dbraw/zinc/41/02/19/1450410219.db2.gz NWKLBRYAMDVKLF-KBXCAEBGSA-N -1 3 397.454 3.476 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000821702269 1450410221 /nfs/dbraw/zinc/41/02/21/1450410221.db2.gz NWKLBRYAMDVKLF-KBXCAEBGSA-N -1 3 397.454 3.476 20 0 GGADHM COc1ccc([C@H](CNc2ccc(-c3nn[n-]n3)cc2F)N2CCCC2)cc1 ZINC000737076274 1450518481 /nfs/dbraw/zinc/51/84/81/1450518481.db2.gz PSDYKCGXZHRSOS-IBGZPJMESA-N -1 3 382.443 3.263 20 0 GGADHM COc1ccc([C@H](CNc2ccc(-c3nnn[n-]3)cc2F)N2CCCC2)cc1 ZINC000737076274 1450518484 /nfs/dbraw/zinc/51/84/84/1450518484.db2.gz PSDYKCGXZHRSOS-IBGZPJMESA-N -1 3 382.443 3.263 20 0 GGADHM CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)C1=O ZINC001164979906 722162496 /nfs/dbraw/zinc/16/24/96/722162496.db2.gz LTDXARWGRLKNJZ-INIZCTEOSA-N -1 3 396.850 3.088 20 0 GGADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)cs1 ZINC000737463095 945073157 /nfs/dbraw/zinc/07/31/57/945073157.db2.gz IDLXSGJJESOTJS-LLVKDONJSA-N -1 3 391.460 3.185 20 0 GGADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)cs1 ZINC000737463095 945073169 /nfs/dbraw/zinc/07/31/69/945073169.db2.gz IDLXSGJJESOTJS-LLVKDONJSA-N -1 3 391.460 3.185 20 0 GGADHM Fc1ccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000737650399 945107029 /nfs/dbraw/zinc/10/70/29/945107029.db2.gz REIWWPSMRIKQLV-KRWDZBQOSA-N -1 3 391.809 3.372 20 0 GGADHM Fc1ccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000737650399 945107036 /nfs/dbraw/zinc/10/70/36/945107036.db2.gz REIWWPSMRIKQLV-KRWDZBQOSA-N -1 3 391.809 3.372 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc(Br)cs1 ZINC000737803104 945128340 /nfs/dbraw/zinc/12/83/40/945128340.db2.gz RMSZMFZFMCPEGL-AATRIKPKSA-N -1 3 391.250 3.447 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cc(Br)cs1 ZINC000737803104 945128346 /nfs/dbraw/zinc/12/83/46/945128346.db2.gz RMSZMFZFMCPEGL-AATRIKPKSA-N -1 3 391.250 3.447 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NCC1(c2ccc(F)cc2)CCC1 ZINC000738099263 945187254 /nfs/dbraw/zinc/18/72/54/945187254.db2.gz FIZXFLVKLJZSTM-UHFFFAOYSA-N -1 3 398.417 3.066 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NCC1(c2ccc(F)cc2)CCC1 ZINC000738099263 945187258 /nfs/dbraw/zinc/18/72/58/945187258.db2.gz FIZXFLVKLJZSTM-UHFFFAOYSA-N -1 3 398.417 3.066 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1CCc1ccccc1 ZINC000738100547 945188435 /nfs/dbraw/zinc/18/84/35/945188435.db2.gz QFQLMKUYVJGUDK-GOSISDBHSA-N -1 3 394.454 3.313 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1CCc1ccccc1 ZINC000738100547 945188439 /nfs/dbraw/zinc/18/84/39/945188439.db2.gz QFQLMKUYVJGUDK-GOSISDBHSA-N -1 3 394.454 3.313 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N[C@](C)(C(=O)[O-])C2CC2)c2cccs2)CC1 ZINC000780346280 939107976 /nfs/dbraw/zinc/10/79/76/939107976.db2.gz ULMFJKOOSGWVSM-KXBFYZLASA-N -1 3 379.526 3.074 20 0 GGADHM CC1CCN([C@H](CNC(=O)NC2(C(=O)[O-])CCCC2)c2cccs2)CC1 ZINC000780346397 939108093 /nfs/dbraw/zinc/10/80/93/939108093.db2.gz VZHQWZSXPCNPKI-OAHLLOKOSA-N -1 3 379.526 3.218 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N(C)C)cc1 ZINC000780358296 939109305 /nfs/dbraw/zinc/10/93/05/939109305.db2.gz GLPJXYBVDXKMLQ-OALUTQOASA-N -1 3 375.513 3.184 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cccc(OC)c1 ZINC000780374416 939112109 /nfs/dbraw/zinc/11/21/09/939112109.db2.gz OHHNEWXOZMWIAP-UXHICEINSA-N -1 3 399.491 3.203 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccsc1 ZINC000780404390 939117238 /nfs/dbraw/zinc/11/72/38/939117238.db2.gz XMTFTRPJPKQJDE-DLBZAZTESA-N -1 3 381.542 3.464 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000780494904 939128833 /nfs/dbraw/zinc/12/88/33/939128833.db2.gz MOEYTSHUFJWAQD-WOJBJXKFSA-N -1 3 381.476 3.257 20 0 GGADHM O=C([O-])C1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCCCC1 ZINC000902000572 939282683 /nfs/dbraw/zinc/28/26/83/939282683.db2.gz YPIMWOOHWCKMCQ-KRWDZBQOSA-N -1 3 376.472 3.332 20 0 GGADHM O=C([O-])C1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCCCC1 ZINC000902000573 939282784 /nfs/dbraw/zinc/28/27/84/939282784.db2.gz YPIMWOOHWCKMCQ-QGZVFWFLSA-N -1 3 376.472 3.332 20 0 GGADHM COCc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908621828 939302444 /nfs/dbraw/zinc/30/24/44/939302444.db2.gz VYSMKMJGRUOVFY-JOCHJYFZSA-N -1 3 397.475 3.074 20 0 GGADHM CCOc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908617069 939302472 /nfs/dbraw/zinc/30/24/72/939302472.db2.gz GHNQAIJYNGHWGI-QFIPXVFZSA-N -1 3 397.475 3.326 20 0 GGADHM Cc1cc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1F ZINC000908622707 939302828 /nfs/dbraw/zinc/30/28/28/939302828.db2.gz XULSATYRDWZJFG-NRFANRHFSA-N -1 3 385.439 3.375 20 0 GGADHM CN(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000908739569 939307084 /nfs/dbraw/zinc/30/70/84/939307084.db2.gz FZFCBWSKWNITLP-IAGOWNOFSA-N -1 3 393.846 3.207 20 0 GGADHM O=C([O-])[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1F ZINC000908750216 939311041 /nfs/dbraw/zinc/31/10/41/939311041.db2.gz CPBUICIIQSZROR-NVXWUHKLSA-N -1 3 391.468 3.149 20 0 GGADHM O=C([O-])[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1cccs1 ZINC000908750760 939311253 /nfs/dbraw/zinc/31/12/53/939311253.db2.gz IFHIZPWDKNTAQN-IUODEOHRSA-N -1 3 379.507 3.072 20 0 GGADHM C[C@@](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908751117 939311634 /nfs/dbraw/zinc/31/16/34/939311634.db2.gz JYVSIHKEVOAFSW-JXFKEZNVSA-N -1 3 387.505 3.184 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2F)N(C)C)cc1 ZINC000908752594 939312184 /nfs/dbraw/zinc/31/21/84/939312184.db2.gz KQUDNPBAWIPBCC-OALUTQOASA-N -1 3 387.455 3.116 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2F)N(C)C)cc1 ZINC000908752592 939312353 /nfs/dbraw/zinc/31/23/53/939312353.db2.gz KQUDNPBAWIPBCC-MOPGFXCFSA-N -1 3 387.455 3.116 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)N(C)C)cc1 ZINC000908753727 939312875 /nfs/dbraw/zinc/31/28/75/939312875.db2.gz OUFIOVYNFLMIPO-OFNKIYASSA-N -1 3 395.503 3.077 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccsc1 ZINC000908807026 939324062 /nfs/dbraw/zinc/32/40/62/939324062.db2.gz RYFSPXCTYASJAT-ZFWWWQNUSA-N -1 3 381.523 3.318 20 0 GGADHM CC[C@@H](CNC(=O)NC1(C(=O)[O-])CCCCCC1)N1CCc2ccccc2C1 ZINC000908810612 939324460 /nfs/dbraw/zinc/32/44/60/939324460.db2.gz HKXHNRDZXIFHFY-IBGZPJMESA-N -1 3 387.524 3.300 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)N1CCc2ccccc2C1 ZINC000908810180 939324548 /nfs/dbraw/zinc/32/45/48/939324548.db2.gz DOVCUWUANSDNCC-YLJYHZDGSA-N -1 3 399.466 3.088 20 0 GGADHM CC[C@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)N1CCc2ccccc2C1 ZINC000908810858 939324628 /nfs/dbraw/zinc/32/46/28/939324628.db2.gz ISBGRJKEDWAOPK-AEFFLSMTSA-N -1 3 387.505 3.010 20 0 GGADHM Cc1cc([C@H](NC(=O)NCCCN2CCc3ccccc3C2)C(=O)[O-])ccc1F ZINC000908820787 939328523 /nfs/dbraw/zinc/32/85/23/939328523.db2.gz SOSJCCKPHOAXLG-FQEVSTJZSA-N -1 3 399.466 3.007 20 0 GGADHM CCC1CCC(NC(=O)NCCCN2CCc3ccccc3C2)(C(=O)[O-])CC1 ZINC000908820421 939328556 /nfs/dbraw/zinc/32/85/56/939328556.db2.gz NKLHNLDDOMUVLF-UHFFFAOYSA-N -1 3 387.524 3.158 20 0 GGADHM O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCCC1 ZINC000908847713 939336029 /nfs/dbraw/zinc/33/60/29/939336029.db2.gz SJKPWKDOWGGEEU-PMACEKPBSA-N -1 3 387.524 3.374 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000908858093 939337948 /nfs/dbraw/zinc/33/79/48/939337948.db2.gz FTHMLAWPSWIXTN-WOJBJXKFSA-N -1 3 383.492 3.340 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000908858090 939338028 /nfs/dbraw/zinc/33/80/28/939338028.db2.gz FTHMLAWPSWIXTN-UXHICEINSA-N -1 3 383.492 3.340 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)N(C)C)cc1 ZINC000908860165 939338961 /nfs/dbraw/zinc/33/89/61/939338961.db2.gz WTKLWERKYMDSPI-MOPGFXCFSA-N -1 3 387.455 3.170 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)N(C)C)cc1 ZINC000908859882 939339236 /nfs/dbraw/zinc/33/92/36/939339236.db2.gz UNCUUCFLUIJKIN-QZTJIDSGSA-N -1 3 391.418 3.001 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)N2CCCC2)cc1 ZINC000908902084 939347867 /nfs/dbraw/zinc/34/78/67/939347867.db2.gz UFYRCXPBRJLKJB-VQTJNVASSA-N -1 3 399.466 3.396 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CCc2ccccc21 ZINC000908975084 939363403 /nfs/dbraw/zinc/36/34/03/939363403.db2.gz OXOMTEMKEXOFDT-HSZRJFAPSA-N -1 3 378.472 3.329 20 0 GGADHM Cc1cc([C@@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908988393 939365898 /nfs/dbraw/zinc/36/58/98/939365898.db2.gz LYXRGDGEEKFBHS-HNAYVOBHSA-N -1 3 387.455 3.080 20 0 GGADHM CC[C@@](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908987803 939366436 /nfs/dbraw/zinc/36/64/36/939366436.db2.gz JFLZVDJNMANHEG-JTSKRJEESA-N -1 3 383.492 3.196 20 0 GGADHM Cc1cccc([C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C(=O)[O-])c1C ZINC000908998072 939368800 /nfs/dbraw/zinc/36/88/00/939368800.db2.gz PQDJZRQOJXOUFA-FPOVZHCZSA-N -1 3 395.503 3.393 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)CCN1Cc1ccccc1 ZINC000909001413 939369120 /nfs/dbraw/zinc/36/91/20/939369120.db2.gz KXCLPJMUPXDIFM-NSISKUIASA-N -1 3 387.524 3.372 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C(=O)[O-])c1C ZINC000909001398 939369201 /nfs/dbraw/zinc/36/92/01/939369201.db2.gz KPAACVYSIYRXLK-YYWHXJBOSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C(=O)[O-])c1 ZINC000908998502 939369236 /nfs/dbraw/zinc/36/92/36/939369236.db2.gz SODDJQFFWGFWSW-SFTDATJTSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C(=O)[O-])cc1C ZINC000909000802 939369239 /nfs/dbraw/zinc/36/92/39/939369239.db2.gz CZVBRDKPDPWTCS-YYWHXJBOSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C(=O)[O-])c1C ZINC000909001397 939369689 /nfs/dbraw/zinc/36/96/89/939369689.db2.gz KPAACVYSIYRXLK-WMQCIHAUSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C(=O)[O-])ccc1F ZINC000909001423 939369763 /nfs/dbraw/zinc/36/97/63/939369763.db2.gz LFJXAHVVTQHTFF-BEVDRBHNSA-N -1 3 399.466 3.222 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C(=O)[O-])ccc1F ZINC000909001426 939370338 /nfs/dbraw/zinc/37/03/38/939370338.db2.gz LFJXAHVVTQHTFF-YSSFQJQWSA-N -1 3 399.466 3.222 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[O-])cc1C ZINC000909070860 939377349 /nfs/dbraw/zinc/37/73/49/939377349.db2.gz VWJLJVJARVIJGN-QMMLZNLJSA-N -1 3 395.503 3.249 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000909093660 939379506 /nfs/dbraw/zinc/37/95/06/939379506.db2.gz BRQHWSNZFJZQII-BSIFCXSSSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000909094851 939380212 /nfs/dbraw/zinc/38/02/12/939380212.db2.gz QFAAFBYLXFHRIJ-WMQCIHAUSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000909094850 939380533 /nfs/dbraw/zinc/38/05/33/939380533.db2.gz QFAAFBYLXFHRIJ-UIFIKXQLSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000909095945 939381031 /nfs/dbraw/zinc/38/10/31/939381031.db2.gz ZLRSYIYOCBQUSJ-YYWHXJBOSA-N -1 3 395.503 3.391 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738211734 945254782 /nfs/dbraw/zinc/25/47/82/945254782.db2.gz SSGOADSAZBMQMB-WDEREUQCSA-N -1 3 387.415 3.437 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738211734 945254793 /nfs/dbraw/zinc/25/47/93/945254793.db2.gz SSGOADSAZBMQMB-WDEREUQCSA-N -1 3 387.415 3.437 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cnc(-c2ccncc2)s1 ZINC000738209388 945255106 /nfs/dbraw/zinc/25/51/06/945255106.db2.gz NVGZITOQZJMHOL-UHFFFAOYSA-N -1 3 395.473 3.188 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cnc(-c2ccncc2)s1 ZINC000738209388 945255108 /nfs/dbraw/zinc/25/51/08/945255108.db2.gz NVGZITOQZJMHOL-UHFFFAOYSA-N -1 3 395.473 3.188 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000738261864 945257381 /nfs/dbraw/zinc/25/73/81/945257381.db2.gz VRPKAVIIAZQEJJ-UHFFFAOYSA-N -1 3 380.795 3.355 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000738261864 945257390 /nfs/dbraw/zinc/25/73/90/945257390.db2.gz VRPKAVIIAZQEJJ-UHFFFAOYSA-N -1 3 380.795 3.355 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000738410219 945265229 /nfs/dbraw/zinc/26/52/29/945265229.db2.gz XAGIGFBLFYLQNN-BLLLJJGKSA-N -1 3 384.896 3.438 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000738410219 945265238 /nfs/dbraw/zinc/26/52/38/945265238.db2.gz XAGIGFBLFYLQNN-BLLLJJGKSA-N -1 3 384.896 3.438 20 0 GGADHM CN(CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)CC(C)(C)C ZINC000909760308 939727910 /nfs/dbraw/zinc/72/79/10/939727910.db2.gz ZNAJJAPSSJCASE-QGZVFWFLSA-N -1 3 375.296 3.387 20 0 GGADHM CCCCCCN(C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000909953084 939747193 /nfs/dbraw/zinc/74/71/93/939747193.db2.gz CUBACYMPZSEGBT-MRXNPFEDSA-N -1 3 385.302 3.203 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000910093405 939752226 /nfs/dbraw/zinc/75/22/26/939752226.db2.gz LRADPHBISBKIGC-IEBWSBKVSA-N -1 3 376.472 3.187 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000911064171 939770221 /nfs/dbraw/zinc/77/02/21/939770221.db2.gz UHFLPFQMXSHQEX-INIZCTEOSA-N -1 3 380.366 3.323 20 0 GGADHM CCc1ccc(F)cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123277735 939819742 /nfs/dbraw/zinc/81/97/42/939819742.db2.gz NLTRDRVRTLUISL-QFIPXVFZSA-N -1 3 384.451 3.237 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3cnccc3c2)CCCN(Cc2ccccc2)C1 ZINC001123377756 939823584 /nfs/dbraw/zinc/82/35/84/939823584.db2.gz CVOMEIGFDIKYQQ-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@]1(NC(=O)CCCc2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC001123378692 939824428 /nfs/dbraw/zinc/82/44/28/939824428.db2.gz JELWJVGWXMITNO-QHCPKHFHSA-N -1 3 398.478 3.384 20 0 GGADHM CC[C@](NC(=O)NC[C@H]1CCN1C(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000656585975 939845240 /nfs/dbraw/zinc/84/52/40/939845240.db2.gz HXRKGLCFRWXCDK-DNVCBOLYSA-N -1 3 381.904 3.202 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(OC)c1 ZINC000663113646 939856476 /nfs/dbraw/zinc/85/64/76/939856476.db2.gz YHMPQVXGIIHXAB-RBUKOAKNSA-N -1 3 376.497 3.085 20 0 GGADHM CC(C)CN(CC(=O)N(C)Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081817 945347661 /nfs/dbraw/zinc/34/76/61/945347661.db2.gz XBIYNBFFYLOHBV-UHFFFAOYSA-N -1 3 384.509 3.049 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000323331357 970990824 /nfs/dbraw/zinc/99/08/24/970990824.db2.gz MJVBTMYGOPVDBT-SFHVURJKSA-N -1 3 375.513 3.185 20 0 GGADHM O=C([O-])c1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC001611344561 971001845 /nfs/dbraw/zinc/00/18/45/971001845.db2.gz SFGIICHRPOYXGV-UHFFFAOYSA-N -1 3 390.443 3.391 20 0 GGADHM Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442931218 944633771 /nfs/dbraw/zinc/63/37/71/944633771.db2.gz VPEZFJSFUBPXFD-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442931218 944633779 /nfs/dbraw/zinc/63/37/79/944633779.db2.gz VPEZFJSFUBPXFD-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1nccnc1Sc1ccccc1 ZINC000544207742 944637409 /nfs/dbraw/zinc/63/74/09/944637409.db2.gz UJCGDNILLSKTRU-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1nccnc1Sc1ccccc1 ZINC000544207742 944637414 /nfs/dbraw/zinc/63/74/14/944637414.db2.gz UJCGDNILLSKTRU-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM CC(C)n1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)n1 ZINC000735960661 944727017 /nfs/dbraw/zinc/72/70/17/944727017.db2.gz JBVHCFXRVJCBQA-UHFFFAOYSA-N -1 3 380.437 3.020 20 0 GGADHM CC(C)n1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)n1 ZINC000735960661 944727022 /nfs/dbraw/zinc/72/70/22/944727022.db2.gz JBVHCFXRVJCBQA-UHFFFAOYSA-N -1 3 380.437 3.020 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000736605305 944854651 /nfs/dbraw/zinc/85/46/51/944854651.db2.gz JMQPURMHHCKOQZ-GXSJLCMTSA-N -1 3 377.470 3.178 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000736605305 944854655 /nfs/dbraw/zinc/85/46/55/944854655.db2.gz JMQPURMHHCKOQZ-GXSJLCMTSA-N -1 3 377.470 3.178 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)C1 ZINC000737173166 944977172 /nfs/dbraw/zinc/97/71/72/944977172.db2.gz XHJAKIVOBHCFCR-IRXDYDNUSA-N -1 3 388.541 3.461 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)C1 ZINC000737173166 944977183 /nfs/dbraw/zinc/97/71/83/944977183.db2.gz XHJAKIVOBHCFCR-IRXDYDNUSA-N -1 3 388.541 3.461 20 0 GGADHM Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737323755 945038617 /nfs/dbraw/zinc/03/86/17/945038617.db2.gz WKNVOGYDGBNFNU-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737323755 945038627 /nfs/dbraw/zinc/03/86/27/945038627.db2.gz WKNVOGYDGBNFNU-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737332053 945041140 /nfs/dbraw/zinc/04/11/40/945041140.db2.gz NTODDUIFVBWEOI-OAHLLOKOSA-N -1 3 386.843 3.197 20 0 GGADHM Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737332053 945041151 /nfs/dbraw/zinc/04/11/51/945041151.db2.gz NTODDUIFVBWEOI-OAHLLOKOSA-N -1 3 386.843 3.197 20 0 GGADHM C[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342034 945418878 /nfs/dbraw/zinc/41/88/78/945418878.db2.gz SDPTYVGKORSNQC-CQSZACIVSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342034 945418888 /nfs/dbraw/zinc/41/88/88/945418888.db2.gz SDPTYVGKORSNQC-CQSZACIVSA-N -1 3 394.454 3.484 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820460981 945458183 /nfs/dbraw/zinc/45/81/83/945458183.db2.gz DEZYSJYXRQYHAF-HNNXBMFYSA-N -1 3 394.479 3.113 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820460981 945458192 /nfs/dbraw/zinc/45/81/92/945458192.db2.gz DEZYSJYXRQYHAF-HNNXBMFYSA-N -1 3 394.479 3.113 20 0 GGADHM C[C@H](OC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512553 945471206 /nfs/dbraw/zinc/47/12/06/945471206.db2.gz MBZFOMVXSYCKLU-ZDUSSCGKSA-N -1 3 387.399 3.344 20 0 GGADHM C[C@H](OC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512553 945471210 /nfs/dbraw/zinc/47/12/10/945471210.db2.gz MBZFOMVXSYCKLU-ZDUSSCGKSA-N -1 3 387.399 3.344 20 0 GGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820570036 945486313 /nfs/dbraw/zinc/48/63/13/945486313.db2.gz BXRNSHHEVPSCKQ-ZDUSSCGKSA-N -1 3 399.474 3.175 20 0 GGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820570036 945486316 /nfs/dbraw/zinc/48/63/16/945486316.db2.gz BXRNSHHEVPSCKQ-ZDUSSCGKSA-N -1 3 399.474 3.175 20 0 GGADHM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC001602137199 971154516 /nfs/dbraw/zinc/15/45/16/971154516.db2.gz CNMDQVWFLPUWFP-SFHVURJKSA-N -1 3 388.414 3.410 20 0 GGADHM CCCCOc1ncccc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821077827 945631532 /nfs/dbraw/zinc/63/15/32/945631532.db2.gz VQRBHRZUOGHXJM-AWEZNQCLSA-N -1 3 395.467 3.001 20 0 GGADHM CCCCOc1ncccc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821077827 945631536 /nfs/dbraw/zinc/63/15/36/945631536.db2.gz VQRBHRZUOGHXJM-AWEZNQCLSA-N -1 3 395.467 3.001 20 0 GGADHM CCc1ccc(CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C2CC2)cc1 ZINC000821482670 945706857 /nfs/dbraw/zinc/70/68/57/945706857.db2.gz UUWPELCTZFGVAJ-UHFFFAOYSA-N -1 3 394.454 3.442 20 0 GGADHM CCc1ccc(CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C2CC2)cc1 ZINC000821482670 945706862 /nfs/dbraw/zinc/70/68/62/945706862.db2.gz UUWPELCTZFGVAJ-UHFFFAOYSA-N -1 3 394.454 3.442 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000821506024 945711725 /nfs/dbraw/zinc/71/17/25/945711725.db2.gz WGAOVVVVWDLSCO-VIFPVBQESA-N -1 3 391.888 3.076 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000821506024 945711728 /nfs/dbraw/zinc/71/17/28/945711728.db2.gz WGAOVVVVWDLSCO-VIFPVBQESA-N -1 3 391.888 3.076 20 0 GGADHM CCn1nc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000821568198 945718784 /nfs/dbraw/zinc/71/87/84/945718784.db2.gz LJNUSZDNSSKBET-UHFFFAOYSA-N -1 3 395.467 3.148 20 0 GGADHM CCn1nc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000821568198 945718788 /nfs/dbraw/zinc/71/87/88/945718788.db2.gz LJNUSZDNSSKBET-UHFFFAOYSA-N -1 3 395.467 3.148 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821698258 945829506 /nfs/dbraw/zinc/82/95/06/945829506.db2.gz BQZQLOAOPYOZJY-OAHLLOKOSA-N -1 3 394.479 3.395 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821698258 945829519 /nfs/dbraw/zinc/82/95/19/945829519.db2.gz BQZQLOAOPYOZJY-OAHLLOKOSA-N -1 3 394.479 3.395 20 0 GGADHM COc1cc(C)c(CN(C)c2nc3ccccc3cc2-c2nnn[n-]2)cc1OC ZINC000821708511 945842907 /nfs/dbraw/zinc/84/29/07/945842907.db2.gz RKPWXRBLXDFGQB-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM COc1cc(C)c(CN(C)c2nc3ccccc3cc2-c2nn[n-]n2)cc1OC ZINC000821708511 945842924 /nfs/dbraw/zinc/84/29/24/945842924.db2.gz RKPWXRBLXDFGQB-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM COc1ccccc1[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821890910 945898719 /nfs/dbraw/zinc/89/87/19/945898719.db2.gz RGILLLUPSAGDDL-PBHICJAKSA-N -1 3 392.463 3.135 20 0 GGADHM COc1ccccc1[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821890910 945898731 /nfs/dbraw/zinc/89/87/31/945898731.db2.gz RGILLLUPSAGDDL-PBHICJAKSA-N -1 3 392.463 3.135 20 0 GGADHM Cc1c(NC(=O)c2cnn3c2nccc3-c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822115961 945963540 /nfs/dbraw/zinc/96/35/40/945963540.db2.gz JRSJMOPIIWOFAH-UHFFFAOYSA-N -1 3 396.414 3.137 20 0 GGADHM Cc1c(NC(=O)c2cnn3c2nccc3-c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822115961 945963548 /nfs/dbraw/zinc/96/35/48/945963548.db2.gz JRSJMOPIIWOFAH-UHFFFAOYSA-N -1 3 396.414 3.137 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)[C@H](C)CO2)c1 ZINC000822231868 946015013 /nfs/dbraw/zinc/01/50/13/946015013.db2.gz KKMZDNIEAXCCMI-DYESRHJHSA-N -1 3 393.491 3.324 20 0 GGADHM Cc1ccc2[nH]c([C@@H]3CCCN3c3ccc(Cl)c(-c4nnn[n-]4)n3)nc2c1 ZINC000822271137 946040568 /nfs/dbraw/zinc/04/05/68/946040568.db2.gz NSGCBWPELBWZNY-AWEZNQCLSA-N -1 3 380.843 3.441 20 0 GGADHM Cc1ccc2[nH]c([C@@H]3CCCN3c3ccc(Cl)c(-c4nn[n-]n4)n3)nc2c1 ZINC000822271137 946040578 /nfs/dbraw/zinc/04/05/78/946040578.db2.gz NSGCBWPELBWZNY-AWEZNQCLSA-N -1 3 380.843 3.441 20 0 GGADHM Cc1ccccc1[C@@H]1CN(CCOc2cccc(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC000822352435 946068522 /nfs/dbraw/zinc/06/85/22/946068522.db2.gz ZOQGDDYUFBYIMA-JXFKEZNVSA-N -1 3 379.464 3.016 20 0 GGADHM Cc1csc([C@H]2CCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000822409764 946084071 /nfs/dbraw/zinc/08/40/71/946084071.db2.gz UZCNAPUOVHAVDN-CQSZACIVSA-N -1 3 394.464 3.019 20 0 GGADHM Cc1csc([C@H]2CCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000822409764 946084084 /nfs/dbraw/zinc/08/40/84/946084084.db2.gz UZCNAPUOVHAVDN-CQSZACIVSA-N -1 3 394.464 3.019 20 0 GGADHM Fc1ccc(-c2csc(NCCNc3ncccc3-c3nnn[n-]3)n2)cc1 ZINC000822753230 946167791 /nfs/dbraw/zinc/16/77/91/946167791.db2.gz JSJRABGDUHGFAM-UHFFFAOYSA-N -1 3 382.428 3.048 20 0 GGADHM Fc1ccc(-c2csc(NCCNc3ncccc3-c3nn[n-]n3)n2)cc1 ZINC000822753230 946167795 /nfs/dbraw/zinc/16/77/95/946167795.db2.gz JSJRABGDUHGFAM-UHFFFAOYSA-N -1 3 382.428 3.048 20 0 GGADHM Fc1ccc2c(c1)CCCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822786970 946171675 /nfs/dbraw/zinc/17/16/75/946171675.db2.gz RCUXHXAOXGAPKH-UHFFFAOYSA-N -1 3 377.383 3.009 20 0 GGADHM Fc1ccc2c(c1)CCCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822786970 946171681 /nfs/dbraw/zinc/17/16/81/946171681.db2.gz RCUXHXAOXGAPKH-UHFFFAOYSA-N -1 3 377.383 3.009 20 0 GGADHM O=C(C/C=C\c1ccc(F)cc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822945294 946229092 /nfs/dbraw/zinc/22/90/92/946229092.db2.gz AQQYFWQNIGINAX-ARJAWSKDSA-N -1 3 397.479 3.459 20 0 GGADHM O=C(C/C=C\c1ccc(F)cc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822945294 946229105 /nfs/dbraw/zinc/22/91/05/946229105.db2.gz AQQYFWQNIGINAX-ARJAWSKDSA-N -1 3 397.479 3.459 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1cc2c(cccc2Cl)[nH]1 ZINC000823044617 946290753 /nfs/dbraw/zinc/29/07/53/946290753.db2.gz XKWHIUGJRYWAEL-UHFFFAOYSA-N -1 3 383.795 3.124 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1cc2c(cccc2Cl)[nH]1 ZINC000823044617 946290763 /nfs/dbraw/zinc/29/07/63/946290763.db2.gz XKWHIUGJRYWAEL-UHFFFAOYSA-N -1 3 383.795 3.124 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823055393 946299056 /nfs/dbraw/zinc/29/90/56/946299056.db2.gz OFGHUYBAKWMIRQ-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823055393 946299061 /nfs/dbraw/zinc/29/90/61/946299061.db2.gz OFGHUYBAKWMIRQ-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM O=C(Cc1ccon1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823114798 946318764 /nfs/dbraw/zinc/31/87/64/946318764.db2.gz FLGJCSSANQZEDI-UHFFFAOYSA-N -1 3 394.822 3.284 20 0 GGADHM O=C(Cc1ccon1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823114798 946318777 /nfs/dbraw/zinc/31/87/77/946318777.db2.gz FLGJCSSANQZEDI-UHFFFAOYSA-N -1 3 394.822 3.284 20 0 GGADHM O=C(Cc1coc2cc(F)ccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823118690 946321719 /nfs/dbraw/zinc/32/17/19/946321719.db2.gz MJWWYSUFOXHFCX-UHFFFAOYSA-N -1 3 391.406 3.486 20 0 GGADHM O=C(Cc1coc2cc(F)ccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823118690 946321727 /nfs/dbraw/zinc/32/17/27/946321727.db2.gz MJWWYSUFOXHFCX-UHFFFAOYSA-N -1 3 391.406 3.486 20 0 GGADHM O=C(O[C@@H]1CCc2ccc(F)cc21)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823397712 946425165 /nfs/dbraw/zinc/42/51/65/946425165.db2.gz ZJIXRSFDJMLRGD-RBUKOAKNSA-N -1 3 393.422 3.205 20 0 GGADHM O=C(c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1)N1CCCCC1 ZINC000823488907 946437597 /nfs/dbraw/zinc/43/75/97/946437597.db2.gz YFQOQZGZNMZUND-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM O=C(c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000823488907 946437603 /nfs/dbraw/zinc/43/76/03/946437603.db2.gz YFQOQZGZNMZUND-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM O=[S@@](Cc1coc(-c2cccc(F)c2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614738 946456013 /nfs/dbraw/zinc/45/60/13/946456013.db2.gz SEDJXJIRJRGQIU-HHHXNRCGSA-N -1 3 383.408 3.110 20 0 GGADHM O=[S@@](Cc1coc(-c2cccc(F)c2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614738 946456019 /nfs/dbraw/zinc/45/60/19/946456019.db2.gz SEDJXJIRJRGQIU-HHHXNRCGSA-N -1 3 383.408 3.110 20 0 GGADHM OC[C@H](CNc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000823704930 946468358 /nfs/dbraw/zinc/46/83/58/946468358.db2.gz CKGKMIPLUHXJRA-ZDUSSCGKSA-N -1 3 393.369 3.028 20 0 GGADHM OCCC1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC000823717287 946471821 /nfs/dbraw/zinc/47/18/21/946471821.db2.gz DDECCCUHSICLJH-UHFFFAOYSA-N -1 3 394.932 3.139 20 0 GGADHM OCCC1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC000823717287 946471829 /nfs/dbraw/zinc/47/18/29/946471829.db2.gz DDECCCUHSICLJH-UHFFFAOYSA-N -1 3 394.932 3.139 20 0 GGADHM Brc1cccc2c1CC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000823832448 946488008 /nfs/dbraw/zinc/48/80/08/946488008.db2.gz OTRZTLGXPAINJB-ZDUSSCGKSA-N -1 3 396.252 3.376 20 0 GGADHM Brc1cccc2c1CC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000823832448 946488012 /nfs/dbraw/zinc/48/80/12/946488012.db2.gz OTRZTLGXPAINJB-ZDUSSCGKSA-N -1 3 396.252 3.376 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000823943079 946524328 /nfs/dbraw/zinc/52/43/28/946524328.db2.gz MMVCPRLCPUPBHU-GDNBJRDFSA-N -1 3 399.458 3.285 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000823943079 946524334 /nfs/dbraw/zinc/52/43/34/946524334.db2.gz MMVCPRLCPUPBHU-GDNBJRDFSA-N -1 3 399.458 3.285 20 0 GGADHM CC(=O)c1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000824024515 946559390 /nfs/dbraw/zinc/55/93/90/946559390.db2.gz HXBOAGKLZZMPLS-UHFFFAOYSA-N -1 3 384.827 3.387 20 0 GGADHM CC(=O)c1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000824024515 946559401 /nfs/dbraw/zinc/55/94/01/946559401.db2.gz HXBOAGKLZZMPLS-UHFFFAOYSA-N -1 3 384.827 3.387 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2-c2nnn[n-]2)C1 ZINC000824078960 946577917 /nfs/dbraw/zinc/57/79/17/946577917.db2.gz LUDBOERPTCIMNK-JQWIXIFHSA-N -1 3 375.498 3.197 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2-c2nn[n-]n2)C1 ZINC000824078960 946577926 /nfs/dbraw/zinc/57/79/26/946577926.db2.gz LUDBOERPTCIMNK-JQWIXIFHSA-N -1 3 375.498 3.197 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000824113707 946593752 /nfs/dbraw/zinc/59/37/52/946593752.db2.gz AMLNKOKNRPAUAU-UHFFFAOYSA-N -1 3 391.435 3.082 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000824113707 946593762 /nfs/dbraw/zinc/59/37/62/946593762.db2.gz AMLNKOKNRPAUAU-UHFFFAOYSA-N -1 3 391.435 3.082 20 0 GGADHM CC(C)C(C)(C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824184280 946613416 /nfs/dbraw/zinc/61/34/16/946613416.db2.gz FCYTWTFQEDACPR-UHFFFAOYSA-N -1 3 388.863 3.262 20 0 GGADHM CC(C)C(C)(C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824184280 946613427 /nfs/dbraw/zinc/61/34/27/946613427.db2.gz FCYTWTFQEDACPR-UHFFFAOYSA-N -1 3 388.863 3.262 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2CC(Cc3cccs3)C2)c1 ZINC001573278893 946625783 /nfs/dbraw/zinc/62/57/83/946625783.db2.gz AXXZIAWUAKOCQB-UHFFFAOYSA-N -1 3 376.283 3.370 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2CC(Cc3cccs3)C2)c1 ZINC001573278893 946625797 /nfs/dbraw/zinc/62/57/97/946625797.db2.gz AXXZIAWUAKOCQB-UHFFFAOYSA-N -1 3 376.283 3.370 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3ccccc3)C2)c1 ZINC001573278882 946626619 /nfs/dbraw/zinc/62/66/19/946626619.db2.gz AEKAYYXCLMKECI-INIZCTEOSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](c3ccccc3)C2)c1 ZINC001573278882 946626625 /nfs/dbraw/zinc/62/66/25/946626625.db2.gz AEKAYYXCLMKECI-INIZCTEOSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1cc(N2CCOCC3(CCCC3)C2)ccc1-c1nnn[n-]1 ZINC001573279012 946627599 /nfs/dbraw/zinc/62/75/99/946627599.db2.gz CUGRRFIFSGFYLF-UHFFFAOYSA-N -1 3 378.274 3.026 20 0 GGADHM Brc1cc(N2CCOCC3(CCCC3)C2)ccc1-c1nn[n-]n1 ZINC001573279012 946627608 /nfs/dbraw/zinc/62/76/08/946627608.db2.gz CUGRRFIFSGFYLF-UHFFFAOYSA-N -1 3 378.274 3.026 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC001573278967 946627939 /nfs/dbraw/zinc/62/79/39/946627939.db2.gz CAYPIZFSXGEZHR-CALCHBBNSA-N -1 3 390.285 3.026 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC001573278967 946627946 /nfs/dbraw/zinc/62/79/46/946627946.db2.gz CAYPIZFSXGEZHR-CALCHBBNSA-N -1 3 390.285 3.026 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1N1CCO[C@H](c2ccccc2)C1 ZINC001573279026 946628408 /nfs/dbraw/zinc/62/84/08/946628408.db2.gz BGMLCXRPPVPQKY-HNNXBMFYSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1N1CCO[C@H](c2ccccc2)C1 ZINC001573279026 946628415 /nfs/dbraw/zinc/62/84/15/946628415.db2.gz BGMLCXRPPVPQKY-HNNXBMFYSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1N1CCC[C@@]2(CCSC2)C1 ZINC001573279309 946636909 /nfs/dbraw/zinc/63/69/09/946636909.db2.gz HJBFDKWCLKXXEC-OAHLLOKOSA-N -1 3 380.315 3.353 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1N1CCC[C@@]2(CCSC2)C1 ZINC001573279309 946636921 /nfs/dbraw/zinc/63/69/21/946636921.db2.gz HJBFDKWCLKXXEC-OAHLLOKOSA-N -1 3 380.315 3.353 20 0 GGADHM Brc1cnc(NCc2coc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC001573279581 946643527 /nfs/dbraw/zinc/64/35/27/946643527.db2.gz JFGKBIDKXONEOP-UHFFFAOYSA-N -1 3 398.224 3.291 20 0 GGADHM Brc1cnc(NCc2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC001573279581 946643534 /nfs/dbraw/zinc/64/35/34/946643534.db2.gz JFGKBIDKXONEOP-UHFFFAOYSA-N -1 3 398.224 3.291 20 0 GGADHM CC(C)Cn1ccnc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824281122 946644392 /nfs/dbraw/zinc/64/43/92/946644392.db2.gz ZPEQWYWPHNLEIU-UHFFFAOYSA-N -1 3 376.262 3.094 20 0 GGADHM CC(C)Cn1ccnc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824281122 946644402 /nfs/dbraw/zinc/64/44/02/946644402.db2.gz ZPEQWYWPHNLEIU-UHFFFAOYSA-N -1 3 376.262 3.094 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)cn1 ZINC000824293224 946647411 /nfs/dbraw/zinc/64/74/11/946647411.db2.gz IILWRXLNIINKTP-UHFFFAOYSA-N -1 3 385.859 3.035 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)cn1 ZINC000824293224 946647417 /nfs/dbraw/zinc/64/74/17/946647417.db2.gz IILWRXLNIINKTP-UHFFFAOYSA-N -1 3 385.859 3.035 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(OCc2cnn(-c3ccccc3)c2)c1 ZINC001573280396 946660940 /nfs/dbraw/zinc/66/09/40/946660940.db2.gz SGBLHTJOZNWUGT-UHFFFAOYSA-N -1 3 397.236 3.394 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(OCc2cnn(-c3ccccc3)c2)c1 ZINC001573280396 946660945 /nfs/dbraw/zinc/66/09/45/946660945.db2.gz SGBLHTJOZNWUGT-UHFFFAOYSA-N -1 3 397.236 3.394 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC001573280547 946663486 /nfs/dbraw/zinc/66/34/86/946663486.db2.gz UDSJQFLXJBOSJP-XHDPSFHLSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC001573280547 946663492 /nfs/dbraw/zinc/66/34/92/946663492.db2.gz UDSJQFLXJBOSJP-XHDPSFHLSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC001573280543 946663946 /nfs/dbraw/zinc/66/39/46/946663946.db2.gz UDSJQFLXJBOSJP-NHYWBVRUSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC001573280543 946663953 /nfs/dbraw/zinc/66/39/53/946663953.db2.gz UDSJQFLXJBOSJP-NHYWBVRUSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)cc1OCc1cc(-c2ccco2)on1 ZINC001573280531 946664345 /nfs/dbraw/zinc/66/43/45/946664345.db2.gz UAZNVYSKGZVSQC-UHFFFAOYSA-N -1 3 388.181 3.456 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)cc1OCc1cc(-c2ccco2)on1 ZINC001573280531 946664356 /nfs/dbraw/zinc/66/43/56/946664356.db2.gz UAZNVYSKGZVSQC-UHFFFAOYSA-N -1 3 388.181 3.456 20 0 GGADHM Brc1cnc(N2CCSC3(CCCCC3)C2)cc1-c1nnn[n-]1 ZINC001573280759 946667531 /nfs/dbraw/zinc/66/75/31/946667531.db2.gz ZUODBKYRKPGYAG-UHFFFAOYSA-N -1 3 395.330 3.280 20 0 GGADHM Brc1cnc(N2CCSC3(CCCCC3)C2)cc1-c1nn[n-]n1 ZINC001573280759 946667538 /nfs/dbraw/zinc/66/75/38/946667538.db2.gz ZUODBKYRKPGYAG-UHFFFAOYSA-N -1 3 395.330 3.280 20 0 GGADHM C[C@@H](CC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)n1cccc1 ZINC000824385455 946676875 /nfs/dbraw/zinc/67/68/75/946676875.db2.gz UHVZCTWMAAUHHC-LBPRGKRZSA-N -1 3 396.842 3.097 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cncc2ccccc21 ZINC000824448635 946712044 /nfs/dbraw/zinc/71/20/44/946712044.db2.gz JGOQOHWTVWYHPH-CYBMUJFWSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cncc2ccccc21 ZINC000824448635 946712055 /nfs/dbraw/zinc/71/20/55/946712055.db2.gz JGOQOHWTVWYHPH-CYBMUJFWSA-N -1 3 375.388 3.039 20 0 GGADHM CC(=O)NCc1ccc(Nc2ccc(-c3nnn[n-]3)c(Br)c2)cc1 ZINC001573533484 946714220 /nfs/dbraw/zinc/71/42/20/946714220.db2.gz RHMOOZOXAJIUNW-UHFFFAOYSA-N -1 3 387.241 3.009 20 0 GGADHM CC(=O)NCc1ccc(Nc2ccc(-c3nn[n-]n3)c(Br)c2)cc1 ZINC001573533484 946714229 /nfs/dbraw/zinc/71/42/29/946714229.db2.gz RHMOOZOXAJIUNW-UHFFFAOYSA-N -1 3 387.241 3.009 20 0 GGADHM C[C@@H](NC(=O)C1=COCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824469662 946719764 /nfs/dbraw/zinc/71/97/64/946719764.db2.gz BIXIKWHLLZPDSA-CQSZACIVSA-N -1 3 375.432 3.405 20 0 GGADHM C[C@@H](NC(=O)C1=COCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824469662 946719771 /nfs/dbraw/zinc/71/97/71/946719771.db2.gz BIXIKWHLLZPDSA-CQSZACIVSA-N -1 3 375.432 3.405 20 0 GGADHM C[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472956 946725491 /nfs/dbraw/zinc/72/54/91/946725491.db2.gz XTXUMBAJQYVJID-IFXJQAMLSA-N -1 3 377.448 3.138 20 0 GGADHM C[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472956 946725502 /nfs/dbraw/zinc/72/55/02/946725502.db2.gz XTXUMBAJQYVJID-IFXJQAMLSA-N -1 3 377.448 3.138 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccncn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479144 946730441 /nfs/dbraw/zinc/73/04/41/946730441.db2.gz LPHJJAYJRASTEO-FEAKQIBJSA-N -1 3 397.442 3.214 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccncn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479144 946730448 /nfs/dbraw/zinc/73/04/48/946730448.db2.gz LPHJJAYJRASTEO-FEAKQIBJSA-N -1 3 397.442 3.214 20 0 GGADHM C[C@H](NC(=O)N1CCOC[C@@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487865 946735821 /nfs/dbraw/zinc/73/58/21/946735821.db2.gz CVKQHHUIUPTLGF-GJZGRUSLSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@H](NC(=O)N1CCOC[C@@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487865 946735829 /nfs/dbraw/zinc/73/58/29/946735829.db2.gz CVKQHHUIUPTLGF-GJZGRUSLSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@@H](NC(=O)N1CCSCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824491574 946741127 /nfs/dbraw/zinc/74/11/27/946741127.db2.gz VDCQKULBYJDLNS-CQSZACIVSA-N -1 3 394.504 3.353 20 0 GGADHM C[C@@H](NC(=O)N1CCSCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824491574 946741141 /nfs/dbraw/zinc/74/11/41/946741141.db2.gz VDCQKULBYJDLNS-CQSZACIVSA-N -1 3 394.504 3.353 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCSC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498473 946743448 /nfs/dbraw/zinc/74/34/48/946743448.db2.gz HTZIYKFSKHHFJI-FZKQIMNGSA-N -1 3 394.504 3.399 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCSC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498473 946743460 /nfs/dbraw/zinc/74/34/60/946743460.db2.gz HTZIYKFSKHHFJI-FZKQIMNGSA-N -1 3 394.504 3.399 20 0 GGADHM C[C@H](NC(=O)NCCC1Cc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824500830 946749894 /nfs/dbraw/zinc/74/98/94/946749894.db2.gz ZPERQPJZXWXSJP-AWEZNQCLSA-N -1 3 376.464 3.032 20 0 GGADHM C[C@H](NC(=O)NCCC1Cc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824500830 946749902 /nfs/dbraw/zinc/74/99/02/946749902.db2.gz ZPERQPJZXWXSJP-AWEZNQCLSA-N -1 3 376.464 3.032 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)c1 ZINC000824522122 946760080 /nfs/dbraw/zinc/76/00/80/946760080.db2.gz QJIYLYYYFASBFV-GFCCVEGCSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC000824522122 946760090 /nfs/dbraw/zinc/76/00/90/946760090.db2.gz QJIYLYYYFASBFV-GFCCVEGCSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@@H](N[C@@H](c1nccn1C)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824537991 946775421 /nfs/dbraw/zinc/77/54/21/946775421.db2.gz GOWUCOIPZVRVFU-FZKQIMNGSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@@H](N[C@@H](c1nccn1C)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824537991 946775428 /nfs/dbraw/zinc/77/54/28/946775428.db2.gz GOWUCOIPZVRVFU-FZKQIMNGSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824540401 946781387 /nfs/dbraw/zinc/78/13/87/946781387.db2.gz XKORNOKUAYAGDR-SGTLLEGYSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540401 946781397 /nfs/dbraw/zinc/78/13/97/946781397.db2.gz XKORNOKUAYAGDR-SGTLLEGYSA-N -1 3 395.417 3.319 20 0 GGADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573542715 946799758 /nfs/dbraw/zinc/79/97/58/946799758.db2.gz MIOGOVMEZVASFP-NSHDSACASA-N -1 3 398.854 3.296 20 0 GGADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573542715 946799767 /nfs/dbraw/zinc/79/97/67/946799767.db2.gz MIOGOVMEZVASFP-NSHDSACASA-N -1 3 398.854 3.296 20 0 GGADHM CC(=O)Nc1cc(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)ccc1Cl ZINC001573542976 946803638 /nfs/dbraw/zinc/80/36/38/946803638.db2.gz RYVCFZVCYWNBTH-UHFFFAOYSA-N -1 3 384.827 3.348 20 0 GGADHM CC(=O)Nc1cc(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)ccc1Cl ZINC001573542976 946803646 /nfs/dbraw/zinc/80/36/46/946803646.db2.gz RYVCFZVCYWNBTH-UHFFFAOYSA-N -1 3 384.827 3.348 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)cc1Cl ZINC001573546925 946821389 /nfs/dbraw/zinc/82/13/89/946821389.db2.gz RMHHTXQWIMKHCV-UHFFFAOYSA-N -1 3 395.810 3.212 20 0 GGADHM CC(=O)Nc1ccc(CC(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC001573547805 946840170 /nfs/dbraw/zinc/84/01/70/946840170.db2.gz VMINTIWQVUXAFR-UHFFFAOYSA-N -1 3 386.415 3.160 20 0 GGADHM CC(=O)Nc1ccc(CC(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC001573547805 946840178 /nfs/dbraw/zinc/84/01/78/946840178.db2.gz VMINTIWQVUXAFR-UHFFFAOYSA-N -1 3 386.415 3.160 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001573551054 946867030 /nfs/dbraw/zinc/86/70/30/946867030.db2.gz GKBXKDWEYDRXPK-KBPBESRZSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001573551054 946867044 /nfs/dbraw/zinc/86/70/44/946867044.db2.gz GKBXKDWEYDRXPK-KBPBESRZSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(Br)cs1 ZINC001573551204 946869115 /nfs/dbraw/zinc/86/91/15/946869115.db2.gz HVIJVOZGSONKND-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(Br)cs1 ZINC001573551204 946869130 /nfs/dbraw/zinc/86/91/30/946869130.db2.gz HVIJVOZGSONKND-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001573551751 946869977 /nfs/dbraw/zinc/86/99/77/946869977.db2.gz KBEJCESTJKFWIY-UHFFFAOYSA-N -1 3 389.337 3.269 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001573551751 946869988 /nfs/dbraw/zinc/86/99/88/946869988.db2.gz KBEJCESTJKFWIY-UHFFFAOYSA-N -1 3 389.337 3.269 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC001573551744 946870304 /nfs/dbraw/zinc/87/03/04/946870304.db2.gz KATLLIFKJFTMOC-GFCCVEGCSA-N -1 3 399.838 3.437 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC001573551744 946870321 /nfs/dbraw/zinc/87/03/21/946870321.db2.gz KATLLIFKJFTMOC-GFCCVEGCSA-N -1 3 399.838 3.437 20 0 GGADHM C[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625692 946871007 /nfs/dbraw/zinc/87/10/07/946871007.db2.gz IKAGVBDDLNYFIR-LLVKDONJSA-N -1 3 398.833 3.091 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)COc1cccc(Cl)c1C ZINC001573551731 946871741 /nfs/dbraw/zinc/87/17/41/946871741.db2.gz JWZKSBSXNGWKDE-UHFFFAOYSA-N -1 3 385.811 3.049 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)COc1cccc(Cl)c1C ZINC001573551731 946871751 /nfs/dbraw/zinc/87/17/51/946871751.db2.gz JWZKSBSXNGWKDE-UHFFFAOYSA-N -1 3 385.811 3.049 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCOc1ccc(C)c(C)c1 ZINC001573551912 946874040 /nfs/dbraw/zinc/87/40/40/946874040.db2.gz LWVILVCCMZZGSX-UHFFFAOYSA-N -1 3 393.447 3.484 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCOc1ccc(C)c(C)c1 ZINC001573551912 946874051 /nfs/dbraw/zinc/87/40/51/946874051.db2.gz LWVILVCCMZZGSX-UHFFFAOYSA-N -1 3 393.447 3.484 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001573552446 946874068 /nfs/dbraw/zinc/87/40/68/946874068.db2.gz PGBXXHCDUTVOGS-AWEZNQCLSA-N -1 3 380.404 3.059 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H]1CCSc2ccccc21 ZINC001573552434 946876104 /nfs/dbraw/zinc/87/61/04/946876104.db2.gz PFZXQMNJSOVBHW-AWEZNQCLSA-N -1 3 379.445 3.287 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H]1CCSc2ccccc21 ZINC001573552434 946876118 /nfs/dbraw/zinc/87/61/18/946876118.db2.gz PFZXQMNJSOVBHW-AWEZNQCLSA-N -1 3 379.445 3.287 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(-c2ccccc2)ccn1 ZINC001573552403 946876179 /nfs/dbraw/zinc/87/61/79/946876179.db2.gz OKFHWSPAEPJJBY-UHFFFAOYSA-N -1 3 384.399 3.384 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(-c2ccccc2)ccn1 ZINC001573552403 946876195 /nfs/dbraw/zinc/87/61/95/946876195.db2.gz OKFHWSPAEPJJBY-UHFFFAOYSA-N -1 3 384.399 3.384 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001573552524 946877039 /nfs/dbraw/zinc/87/70/39/946877039.db2.gz QGWPPKVRTKLKRK-IYJAJMOOSA-N -1 3 399.495 3.485 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001573552524 946877054 /nfs/dbraw/zinc/87/70/54/946877054.db2.gz QGWPPKVRTKLKRK-IYJAJMOOSA-N -1 3 399.495 3.485 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001573552522 946877629 /nfs/dbraw/zinc/87/76/29/946877629.db2.gz QGWPPKVRTKLKRK-ACWOFJMJSA-N -1 3 399.495 3.485 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001573552522 946877635 /nfs/dbraw/zinc/87/76/35/946877635.db2.gz QGWPPKVRTKLKRK-ACWOFJMJSA-N -1 3 399.495 3.485 20 0 GGADHM CC(=O)SCCCCCCNC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001573553671 946890284 /nfs/dbraw/zinc/89/02/84/946890284.db2.gz ZGENRBQUJYCCRC-UHFFFAOYSA-N -1 3 375.498 3.053 20 0 GGADHM CC(=O)SCCCCCCNC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001573553671 946890299 /nfs/dbraw/zinc/89/02/99/946890299.db2.gz ZGENRBQUJYCCRC-UHFFFAOYSA-N -1 3 375.498 3.053 20 0 GGADHM C[C@@](O)(c1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC000824678142 946894490 /nfs/dbraw/zinc/89/44/90/946894490.db2.gz LGZYTZULDWLDJN-QGZVFWFLSA-N -1 3 394.353 3.094 20 0 GGADHM C[C@@](O)(c1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000824678142 946894505 /nfs/dbraw/zinc/89/45/05/946894505.db2.gz LGZYTZULDWLDJN-QGZVFWFLSA-N -1 3 394.353 3.094 20 0 GGADHM CC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1C ZINC001573554089 946895282 /nfs/dbraw/zinc/89/52/82/946895282.db2.gz MEWHVILHFYAFAP-LJQANCHMSA-N -1 3 393.447 3.420 20 0 GGADHM CC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1C ZINC001573554089 946895291 /nfs/dbraw/zinc/89/52/91/946895291.db2.gz MEWHVILHFYAFAP-LJQANCHMSA-N -1 3 393.447 3.420 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1oc(-c2ccccc2)nc1C ZINC001573554192 946896391 /nfs/dbraw/zinc/89/63/91/946896391.db2.gz OGLMUAUFGYDWSN-UHFFFAOYSA-N -1 3 388.387 3.285 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1oc(-c2ccccc2)nc1C ZINC001573554192 946896405 /nfs/dbraw/zinc/89/64/05/946896405.db2.gz OGLMUAUFGYDWSN-UHFFFAOYSA-N -1 3 388.387 3.285 20 0 GGADHM CC(=O)c1cc(F)ccc1NC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001573554227 946898299 /nfs/dbraw/zinc/89/82/99/946898299.db2.gz PRGUARJXNRNRGG-UHFFFAOYSA-N -1 3 392.350 3.116 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC001573554528 946899651 /nfs/dbraw/zinc/89/96/51/946899651.db2.gz VYQLIUZQPXSMIR-UHFFFAOYSA-N -1 3 377.191 3.023 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC001573554528 946899661 /nfs/dbraw/zinc/89/96/61/946899661.db2.gz VYQLIUZQPXSMIR-UHFFFAOYSA-N -1 3 377.191 3.023 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001573554551 946901483 /nfs/dbraw/zinc/90/14/83/946901483.db2.gz XEHOPHSHZBGURG-UHFFFAOYSA-N -1 3 377.404 3.035 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001573554551 946901490 /nfs/dbraw/zinc/90/14/90/946901490.db2.gz XEHOPHSHZBGURG-UHFFFAOYSA-N -1 3 377.404 3.035 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722453 946911446 /nfs/dbraw/zinc/91/14/46/946911446.db2.gz IVZMDWZBVWSQFR-GFCCVEGCSA-N -1 3 392.394 3.324 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722453 946911470 /nfs/dbraw/zinc/91/14/70/946911470.db2.gz IVZMDWZBVWSQFR-GFCCVEGCSA-N -1 3 392.394 3.324 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ccc(O)cc21 ZINC000824738842 946920524 /nfs/dbraw/zinc/92/05/24/946920524.db2.gz RTSBCMPSBYVKOW-LBPRGKRZSA-N -1 3 375.388 3.132 20 0 GGADHM C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824762590 946927897 /nfs/dbraw/zinc/92/78/97/946927897.db2.gz HOLNAYXFTJUHGZ-NSHDSACASA-N -1 3 396.501 3.273 20 0 GGADHM C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824762590 946927905 /nfs/dbraw/zinc/92/79/05/946927905.db2.gz HOLNAYXFTJUHGZ-NSHDSACASA-N -1 3 396.501 3.273 20 0 GGADHM c1csc(Cn2c(-c3ccc(-c4nnn[n-]4)cc3)nnc2N2CC=CCC2)c1 ZINC001573292304 946930354 /nfs/dbraw/zinc/93/03/54/946930354.db2.gz SNECUWKPNHXEEZ-UHFFFAOYSA-N -1 3 390.476 3.001 20 0 GGADHM c1csc(Cn2c(-c3ccc(-c4nn[n-]n4)cc3)nnc2N2CC=CCC2)c1 ZINC001573292304 946930365 /nfs/dbraw/zinc/93/03/65/946930365.db2.gz SNECUWKPNHXEEZ-UHFFFAOYSA-N -1 3 390.476 3.001 20 0 GGADHM CC1(C)CC(=O)c2ccc(OCCOc3cccc(-c4nnn[n-]4)c3)cc2O1 ZINC000824790723 946933446 /nfs/dbraw/zinc/93/34/46/946933446.db2.gz PNERYLYTIKAYCD-UHFFFAOYSA-N -1 3 380.404 3.068 20 0 GGADHM CC1(C)CC(=O)c2ccc(OCCOc3cccc(-c4nn[n-]n4)c3)cc2O1 ZINC000824790723 946933452 /nfs/dbraw/zinc/93/34/52/946933452.db2.gz PNERYLYTIKAYCD-UHFFFAOYSA-N -1 3 380.404 3.068 20 0 GGADHM CC(=O)c1cncc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC001573558475 946939553 /nfs/dbraw/zinc/93/95/53/946939553.db2.gz LTIRWTFKNFRFER-UHFFFAOYSA-N -1 3 390.428 3.445 20 0 GGADHM CC(=O)c1cncc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC001573558475 946939564 /nfs/dbraw/zinc/93/95/64/946939564.db2.gz LTIRWTFKNFRFER-UHFFFAOYSA-N -1 3 390.428 3.445 20 0 GGADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824864529 946957675 /nfs/dbraw/zinc/95/76/75/946957675.db2.gz BPPGYKOGSVKYMZ-ZFWWWQNUSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824864529 946957684 /nfs/dbraw/zinc/95/76/84/946957684.db2.gz BPPGYKOGSVKYMZ-ZFWWWQNUSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824868518 946964618 /nfs/dbraw/zinc/96/46/18/946964618.db2.gz VHPARGLSDQLACX-RHSMWYFYSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000824868518 946964625 /nfs/dbraw/zinc/96/46/25/946964625.db2.gz VHPARGLSDQLACX-RHSMWYFYSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@@H]1C[C@@H](CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824883280 946971329 /nfs/dbraw/zinc/97/13/29/946971329.db2.gz GAVFKRYJEAHCIR-MNOVXSKESA-N -1 3 380.905 3.012 20 0 GGADHM C[C@@H]1C[C@@H](CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824883280 946971331 /nfs/dbraw/zinc/97/13/31/946971331.db2.gz GAVFKRYJEAHCIR-MNOVXSKESA-N -1 3 380.905 3.012 20 0 GGADHM C[C@@H]1C[C@H](CCNc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000824883885 946972791 /nfs/dbraw/zinc/97/27/91/946972791.db2.gz JYVCXCXRWRLGMW-GHMZBOCLSA-N -1 3 390.850 3.246 20 0 GGADHM C[C@@H]1C[C@H](CCNc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000824883885 946972799 /nfs/dbraw/zinc/97/27/99/946972799.db2.gz JYVCXCXRWRLGMW-GHMZBOCLSA-N -1 3 390.850 3.246 20 0 GGADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824929111 946996332 /nfs/dbraw/zinc/99/63/32/946996332.db2.gz VYQUOMPEXAAIPT-MFKMUULPSA-N -1 3 386.847 3.016 20 0 GGADHM C[C@@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000824937633 946998471 /nfs/dbraw/zinc/99/84/71/946998471.db2.gz QEXXLPGIOVEQHO-SNVBAGLBSA-N -1 3 385.415 3.236 20 0 GGADHM C[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000824937633 946998476 /nfs/dbraw/zinc/99/84/76/946998476.db2.gz QEXXLPGIOVEQHO-SNVBAGLBSA-N -1 3 385.415 3.236 20 0 GGADHM C[C@H]1CN(c2ccccc2NCc2ccc(-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000824999812 947032963 /nfs/dbraw/zinc/03/29/63/947032963.db2.gz KHUCFXUADKDOER-KBPBESRZSA-N -1 3 382.443 3.232 20 0 GGADHM C[C@H]1CN(c2ccccc2NCc2ccc(-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000824999812 947032974 /nfs/dbraw/zinc/03/29/74/947032974.db2.gz KHUCFXUADKDOER-KBPBESRZSA-N -1 3 382.443 3.232 20 0 GGADHM CC[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825039560 947057008 /nfs/dbraw/zinc/05/70/08/947057008.db2.gz UAROXNIPXVQPBV-QGZVFWFLSA-N -1 3 391.431 3.365 20 0 GGADHM CC[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825039560 947057016 /nfs/dbraw/zinc/05/70/16/947057016.db2.gz UAROXNIPXVQPBV-QGZVFWFLSA-N -1 3 391.431 3.365 20 0 GGADHM CC[C@@H](C)n1nc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825081521 947071089 /nfs/dbraw/zinc/07/10/89/947071089.db2.gz KRJZGRXNJAIKIW-GFCCVEGCSA-N -1 3 385.497 3.215 20 0 GGADHM CC[C@@H](C)n1nc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825081521 947071096 /nfs/dbraw/zinc/07/10/96/947071096.db2.gz KRJZGRXNJAIKIW-GFCCVEGCSA-N -1 3 385.497 3.215 20 0 GGADHM CC[C@H]1C[C@@H](CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CCO1 ZINC000825183734 947109476 /nfs/dbraw/zinc/10/94/76/947109476.db2.gz PMFYJJOZFVHIDO-JSGCOSHPSA-N -1 3 387.875 3.323 20 0 GGADHM CC[C@@H]1C[C@@H](OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCO1 ZINC000825184324 947111623 /nfs/dbraw/zinc/11/16/23/947111623.db2.gz SCFJVBGUZMAAOL-ZBFHGGJFSA-N -1 3 398.419 3.153 20 0 GGADHM CC[C@@H]1C[C@H](CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)CCO1 ZINC000825183924 947113175 /nfs/dbraw/zinc/11/31/75/947113175.db2.gz QAIBQRMKNRHQTF-TZMCWYRMSA-N -1 3 387.875 3.323 20 0 GGADHM CC[C@@H]1C[C@H](CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)CCO1 ZINC000825183924 947113182 /nfs/dbraw/zinc/11/31/82/947113182.db2.gz QAIBQRMKNRHQTF-TZMCWYRMSA-N -1 3 387.875 3.323 20 0 GGADHM CCC[C@@](C)(O)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825234377 947127880 /nfs/dbraw/zinc/12/78/80/947127880.db2.gz ZKYIYYHVGBNCJP-LHSJRXKWSA-N -1 3 379.464 3.262 20 0 GGADHM CCC[C@@](C)(O)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825234377 947127886 /nfs/dbraw/zinc/12/78/86/947127886.db2.gz ZKYIYYHVGBNCJP-LHSJRXKWSA-N -1 3 379.464 3.262 20 0 GGADHM C=CC(=O)Nc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC001573301237 947133080 /nfs/dbraw/zinc/13/30/80/947133080.db2.gz VBOUFGBYOCFDGG-UHFFFAOYSA-N -1 3 392.419 3.031 20 0 GGADHM C=CC(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC001573301237 947133087 /nfs/dbraw/zinc/13/30/87/947133087.db2.gz VBOUFGBYOCFDGG-UHFFFAOYSA-N -1 3 392.419 3.031 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825254536 947134134 /nfs/dbraw/zinc/13/41/34/947134134.db2.gz UCRYJIAVNXKFMG-MFKMUULPSA-N -1 3 386.847 3.016 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825254536 947134141 /nfs/dbraw/zinc/13/41/41/947134141.db2.gz UCRYJIAVNXKFMG-MFKMUULPSA-N -1 3 386.847 3.016 20 0 GGADHM CCCCSCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825296835 947145797 /nfs/dbraw/zinc/14/57/97/947145797.db2.gz XAYSFMTWDGWAAA-UHFFFAOYSA-N -1 3 391.888 3.178 20 0 GGADHM CCCCSCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825296835 947145808 /nfs/dbraw/zinc/14/58/08/947145808.db2.gz XAYSFMTWDGWAAA-UHFFFAOYSA-N -1 3 391.888 3.178 20 0 GGADHM CCCOc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825342965 947158875 /nfs/dbraw/zinc/15/88/75/947158875.db2.gz ZMWOPYKDZVSMOZ-UHFFFAOYSA-N -1 3 387.827 3.326 20 0 GGADHM CCCOc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825342965 947158879 /nfs/dbraw/zinc/15/88/79/947158879.db2.gz ZMWOPYKDZVSMOZ-UHFFFAOYSA-N -1 3 387.827 3.326 20 0 GGADHM CCN(C(=O)c1ccn(-c2ccc(F)cc2C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385703 947170879 /nfs/dbraw/zinc/17/08/79/947170879.db2.gz RFBLGYJKNIXHND-UHFFFAOYSA-N -1 3 391.410 3.167 20 0 GGADHM CCN(C(=O)c1ccn(-c2ccc(F)cc2C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385703 947170889 /nfs/dbraw/zinc/17/08/89/947170889.db2.gz RFBLGYJKNIXHND-UHFFFAOYSA-N -1 3 391.410 3.167 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCc2ccsc2)n1 ZINC000825561010 947221486 /nfs/dbraw/zinc/22/14/86/947221486.db2.gz ZQFBUVHDQVJUDX-UHFFFAOYSA-N -1 3 375.479 3.225 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCc2ccsc2)n1 ZINC000825561010 947221498 /nfs/dbraw/zinc/22/14/98/947221498.db2.gz ZQFBUVHDQVJUDX-UHFFFAOYSA-N -1 3 375.479 3.225 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(-c2ccccc2)on1 ZINC000825608633 947254322 /nfs/dbraw/zinc/25/43/22/947254322.db2.gz AUTZVPOVMGXEIH-UHFFFAOYSA-N -1 3 377.360 3.140 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(-c2ccccc2)on1 ZINC000825608633 947254329 /nfs/dbraw/zinc/25/43/29/947254329.db2.gz AUTZVPOVMGXEIH-UHFFFAOYSA-N -1 3 377.360 3.140 20 0 GGADHM CCc1noc(CN[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000825776365 947326749 /nfs/dbraw/zinc/32/67/49/947326749.db2.gz HCUNEXKOYPWLRP-ZDUSSCGKSA-N -1 3 375.436 3.330 20 0 GGADHM CCc1noc(CN[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825776365 947326761 /nfs/dbraw/zinc/32/67/61/947326761.db2.gz HCUNEXKOYPWLRP-ZDUSSCGKSA-N -1 3 375.436 3.330 20 0 GGADHM CCn1c2ccc(C)cc2nc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825797293 947332641 /nfs/dbraw/zinc/33/26/41/947332641.db2.gz YWSNITWLYCBDFR-UHFFFAOYSA-N -1 3 378.465 3.354 20 0 GGADHM CCn1c2ccc(C)cc2nc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825797293 947332652 /nfs/dbraw/zinc/33/26/52/947332652.db2.gz YWSNITWLYCBDFR-UHFFFAOYSA-N -1 3 378.465 3.354 20 0 GGADHM CCn1nc(C)c(CNc2ccc(Br)cc2-c2nnn[n-]2)c1C ZINC000825807801 947338897 /nfs/dbraw/zinc/33/88/97/947338897.db2.gz WINGKHPBEDFRRH-UHFFFAOYSA-N -1 3 376.262 3.075 20 0 GGADHM CCn1nc(C)c(CNc2ccc(Br)cc2-c2nn[n-]n2)c1C ZINC000825807801 947338910 /nfs/dbraw/zinc/33/89/10/947338910.db2.gz WINGKHPBEDFRRH-UHFFFAOYSA-N -1 3 376.262 3.075 20 0 GGADHM CN(C)c1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825883737 947354213 /nfs/dbraw/zinc/35/42/13/947354213.db2.gz MDYHGUGBBAUJAM-UHFFFAOYSA-N -1 3 394.870 3.384 20 0 GGADHM CN(C)c1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825883737 947354226 /nfs/dbraw/zinc/35/42/26/947354226.db2.gz MDYHGUGBBAUJAM-UHFFFAOYSA-N -1 3 394.870 3.384 20 0 GGADHM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000825879694 947356347 /nfs/dbraw/zinc/35/63/47/947356347.db2.gz OKTTWEAFGLWTOT-UHFFFAOYSA-N -1 3 393.476 3.169 20 0 GGADHM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000825879694 947356359 /nfs/dbraw/zinc/35/63/59/947356359.db2.gz OKTTWEAFGLWTOT-UHFFFAOYSA-N -1 3 393.476 3.169 20 0 GGADHM CO[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826147401 947474087 /nfs/dbraw/zinc/47/40/87/947474087.db2.gz WKAHGZAXRRODDP-OAHLLOKOSA-N -1 3 393.447 3.300 20 0 GGADHM CO[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826147401 947474096 /nfs/dbraw/zinc/47/40/96/947474096.db2.gz WKAHGZAXRRODDP-OAHLLOKOSA-N -1 3 393.447 3.300 20 0 GGADHM COC[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826148240 947475920 /nfs/dbraw/zinc/47/59/20/947475920.db2.gz CUUNNKYYJGTZNB-CABCVRRESA-N -1 3 394.479 3.176 20 0 GGADHM COC[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826148240 947475934 /nfs/dbraw/zinc/47/59/34/947475934.db2.gz CUUNNKYYJGTZNB-CABCVRRESA-N -1 3 394.479 3.176 20 0 GGADHM COCC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826149039 947476402 /nfs/dbraw/zinc/47/64/02/947476402.db2.gz XUKYMOPSVPCGCN-AWEZNQCLSA-N -1 3 394.479 3.319 20 0 GGADHM COCC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826149039 947476415 /nfs/dbraw/zinc/47/64/15/947476415.db2.gz XUKYMOPSVPCGCN-AWEZNQCLSA-N -1 3 394.479 3.319 20 0 GGADHM COc1c(F)cc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826167166 947526800 /nfs/dbraw/zinc/52/68/00/947526800.db2.gz RXBUDUBMHJPLGN-UHFFFAOYSA-N -1 3 397.389 3.166 20 0 GGADHM COc1c(F)cc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826167166 947526807 /nfs/dbraw/zinc/52/68/07/947526807.db2.gz RXBUDUBMHJPLGN-UHFFFAOYSA-N -1 3 397.389 3.166 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826171468 947536504 /nfs/dbraw/zinc/53/65/04/947536504.db2.gz OIWIJNOVSNMRLQ-YPMHNXCESA-N -1 3 384.358 3.287 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826171468 947536509 /nfs/dbraw/zinc/53/65/09/947536509.db2.gz OIWIJNOVSNMRLQ-YPMHNXCESA-N -1 3 384.358 3.287 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826174250 947540057 /nfs/dbraw/zinc/54/00/57/947540057.db2.gz PEAYRCVRCHRQMC-UHFFFAOYSA-N -1 3 382.424 3.105 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826174250 947540064 /nfs/dbraw/zinc/54/00/64/947540064.db2.gz PEAYRCVRCHRQMC-UHFFFAOYSA-N -1 3 382.424 3.105 20 0 GGADHM COc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)sc1Br ZINC000826177550 947551321 /nfs/dbraw/zinc/55/13/21/947551321.db2.gz MPFHQBFRDJVQFQ-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM COc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)sc1Br ZINC000826177550 947551327 /nfs/dbraw/zinc/55/13/27/947551327.db2.gz MPFHQBFRDJVQFQ-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM C[C@@H](C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1)N1CCc2ccccc21 ZINC001573608074 947556803 /nfs/dbraw/zinc/55/68/03/947556803.db2.gz VTCCWPCZEQGXPV-HNNXBMFYSA-N -1 3 388.475 3.203 20 0 GGADHM C[C@@H](C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1)N1CCc2ccccc21 ZINC001573608074 947556810 /nfs/dbraw/zinc/55/68/10/947556810.db2.gz VTCCWPCZEQGXPV-HNNXBMFYSA-N -1 3 388.475 3.203 20 0 GGADHM COc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187426 947571272 /nfs/dbraw/zinc/57/12/72/947571272.db2.gz PMAPZSNNNUWYRZ-ZDUSSCGKSA-N -1 3 380.404 3.143 20 0 GGADHM COc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187426 947571281 /nfs/dbraw/zinc/57/12/81/947571281.db2.gz PMAPZSNNNUWYRZ-ZDUSSCGKSA-N -1 3 380.404 3.143 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000826186438 947572017 /nfs/dbraw/zinc/57/20/17/947572017.db2.gz SCKWCCZZXJTOFS-CQSZACIVSA-N -1 3 388.472 3.077 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000826186438 947572025 /nfs/dbraw/zinc/57/20/25/947572025.db2.gz SCKWCCZZXJTOFS-CQSZACIVSA-N -1 3 388.472 3.077 20 0 GGADHM COc1ccc(Cl)cc1NCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826208731 947610297 /nfs/dbraw/zinc/61/02/97/947610297.db2.gz XZLWJCKQGSWNAD-LLVKDONJSA-N -1 3 387.827 3.245 20 0 GGADHM COc1ccc(Cl)cc1NCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826208731 947610305 /nfs/dbraw/zinc/61/03/05/947610305.db2.gz XZLWJCKQGSWNAD-LLVKDONJSA-N -1 3 387.827 3.245 20 0 GGADHM COc1ccccc1[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nccn1C ZINC000826219311 947650260 /nfs/dbraw/zinc/65/02/60/947650260.db2.gz YGNLWODXGQHLPX-IFXJQAMLSA-N -1 3 389.463 3.049 20 0 GGADHM COc1ccccc1[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nccn1C ZINC000826219311 947650268 /nfs/dbraw/zinc/65/02/68/947650268.db2.gz YGNLWODXGQHLPX-IFXJQAMLSA-N -1 3 389.463 3.049 20 0 GGADHM Cc1c(Cl)cnc(N(CCCO)Cc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826237150 947695408 /nfs/dbraw/zinc/69/54/08/947695408.db2.gz PVCLDIKXZNRKHX-UHFFFAOYSA-N -1 3 393.278 3.266 20 0 GGADHM Cc1c(Cl)cnc(N(CCCO)Cc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826237150 947695409 /nfs/dbraw/zinc/69/54/09/947695409.db2.gz PVCLDIKXZNRKHX-UHFFFAOYSA-N -1 3 393.278 3.266 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826239383 947708278 /nfs/dbraw/zinc/70/82/78/947708278.db2.gz GDXGQAGCDUXXIR-GFCCVEGCSA-N -1 3 398.776 3.388 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826239383 947708288 /nfs/dbraw/zinc/70/82/88/947708288.db2.gz GDXGQAGCDUXXIR-GFCCVEGCSA-N -1 3 398.776 3.388 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](O)c2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826239847 947710102 /nfs/dbraw/zinc/71/01/02/947710102.db2.gz RVGSOOHOIAKGSX-HNNXBMFYSA-N -1 3 388.859 3.156 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](O)c2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826239847 947710112 /nfs/dbraw/zinc/71/01/12/947710112.db2.gz RVGSOOHOIAKGSX-HNNXBMFYSA-N -1 3 388.859 3.156 20 0 GGADHM Cc1c(Cl)cnc(NCCc2ccn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826240359 947712691 /nfs/dbraw/zinc/71/26/91/947712691.db2.gz OVAIFTLLBKAXJN-UHFFFAOYSA-N -1 3 380.843 3.064 20 0 GGADHM Cc1c(Cl)cnc(NCCc2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826240359 947712696 /nfs/dbraw/zinc/71/26/96/947712696.db2.gz OVAIFTLLBKAXJN-UHFFFAOYSA-N -1 3 380.843 3.064 20 0 GGADHM Cc1c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1CC(C)C ZINC000826242392 947720977 /nfs/dbraw/zinc/72/09/77/947720977.db2.gz MWAZXDCHLJFPEU-UHFFFAOYSA-N -1 3 390.904 3.490 20 0 GGADHM Cc1c(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1CC(C)C ZINC000826242392 947720983 /nfs/dbraw/zinc/72/09/83/947720983.db2.gz MWAZXDCHLJFPEU-UHFFFAOYSA-N -1 3 390.904 3.490 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826244796 947723185 /nfs/dbraw/zinc/72/31/85/947723185.db2.gz DHGHSHCMEXCSIH-QGZVFWFLSA-N -1 3 379.468 3.273 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826244796 947723191 /nfs/dbraw/zinc/72/31/91/947723191.db2.gz DHGHSHCMEXCSIH-QGZVFWFLSA-N -1 3 379.468 3.273 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000826254525 947734116 /nfs/dbraw/zinc/73/41/16/947734116.db2.gz PJCUGOFYYUJTPX-CUGJKRCDSA-N -1 3 385.468 3.009 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(Cl)c1 ZINC001573365851 947734068 /nfs/dbraw/zinc/73/40/68/947734068.db2.gz UNLXNLFCAZFDBM-VWGXWWAPSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(Cl)c1 ZINC001573365851 947734080 /nfs/dbraw/zinc/73/40/80/947734080.db2.gz UNLXNLFCAZFDBM-VWGXWWAPSA-N -1 3 379.851 3.207 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCCCCCO)cc1 ZINC000826255262 947735876 /nfs/dbraw/zinc/73/58/76/947735876.db2.gz QOYHOFGRORHFNE-UHFFFAOYSA-N -1 3 395.463 3.250 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCCCCCO)cc1 ZINC000826255262 947735887 /nfs/dbraw/zinc/73/58/87/947735887.db2.gz QOYHOFGRORHFNE-UHFFFAOYSA-N -1 3 395.463 3.250 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)Cc2cccnc2)CC1 ZINC000826254677 947736283 /nfs/dbraw/zinc/73/62/83/947736283.db2.gz WKYBBMARTHYNSK-UHFFFAOYSA-N -1 3 392.463 3.079 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)c2ccn(C)c2)CC1 ZINC000826255463 947739503 /nfs/dbraw/zinc/73/95/03/947739503.db2.gz YSLUEOGJVOJYTO-UHFFFAOYSA-N -1 3 380.452 3.094 20 0 GGADHM Cc1cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)nn1C1CCCCC1 ZINC000826256809 947741975 /nfs/dbraw/zinc/74/19/75/947741975.db2.gz AYBKEDVVOQADSG-UHFFFAOYSA-N -1 3 379.468 3.149 20 0 GGADHM Cc1cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)nn1C1CCCCC1 ZINC000826256809 947741985 /nfs/dbraw/zinc/74/19/85/947741985.db2.gz AYBKEDVVOQADSG-UHFFFAOYSA-N -1 3 379.468 3.149 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001573366503 947743120 /nfs/dbraw/zinc/74/31/20/947743120.db2.gz RPHINFDFHMERPJ-CSKARUKUSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001573366503 947743134 /nfs/dbraw/zinc/74/31/34/947743134.db2.gz RPHINFDFHMERPJ-CSKARUKUSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1ccncc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001573366773 947744799 /nfs/dbraw/zinc/74/47/99/947744799.db2.gz SPQAQERURQILJQ-KTKRTIGZSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1ccncc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001573366773 947744812 /nfs/dbraw/zinc/74/48/12/947744812.db2.gz SPQAQERURQILJQ-KTKRTIGZSA-N -1 3 385.225 3.066 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)nn1-c1ccccc1Cl ZINC000826257942 947745024 /nfs/dbraw/zinc/74/50/24/947745024.db2.gz UEKKTGWSBWDHTH-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)nn1-c1ccccc1Cl ZINC000826257942 947745035 /nfs/dbraw/zinc/74/50/35/947745035.db2.gz UEKKTGWSBWDHTH-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM CC(=CC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1ccco1 ZINC001573366742 947745377 /nfs/dbraw/zinc/74/53/77/947745377.db2.gz XUUFAXBDWGCDOB-WWRUEGTHSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=CC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1ccco1 ZINC001573366742 947745385 /nfs/dbraw/zinc/74/53/85/947745385.db2.gz XUUFAXBDWGCDOB-WWRUEGTHSA-N -1 3 377.326 3.283 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C1CCCCC1 ZINC000826258850 947746386 /nfs/dbraw/zinc/74/63/86/947746386.db2.gz ZBIXGKRQPSOSNX-AWEZNQCLSA-N -1 3 379.468 3.368 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C1CCCCC1 ZINC000826258850 947746395 /nfs/dbraw/zinc/74/63/95/947746395.db2.gz ZBIXGKRQPSOSNX-AWEZNQCLSA-N -1 3 379.468 3.368 20 0 GGADHM CC(=CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC001573366994 947749375 /nfs/dbraw/zinc/74/93/75/947749375.db2.gz ZFWMWJZYXTVDJG-QXMHVHEDSA-N -1 3 389.419 3.304 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)ccc1F ZINC000826260265 947751412 /nfs/dbraw/zinc/75/14/12/947751412.db2.gz FAHHGYBUQVTGFE-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826265013 947764877 /nfs/dbraw/zinc/76/48/77/947764877.db2.gz JJBINKIDVUCWNY-AWEZNQCLSA-N -1 3 386.891 3.096 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826265013 947764884 /nfs/dbraw/zinc/76/48/84/947764884.db2.gz JJBINKIDVUCWNY-AWEZNQCLSA-N -1 3 386.891 3.096 20 0 GGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c2c1 ZINC000826268156 947772437 /nfs/dbraw/zinc/77/24/37/947772437.db2.gz MJOHWFUOOBCGGZ-UHFFFAOYSA-N -1 3 378.367 3.129 20 0 GGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c2c1 ZINC000826268156 947772443 /nfs/dbraw/zinc/77/24/43/947772443.db2.gz MJOHWFUOOBCGGZ-UHFFFAOYSA-N -1 3 378.367 3.129 20 0 GGADHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)ccc1C(=O)OC(C)(C)C ZINC000826270533 947783526 /nfs/dbraw/zinc/78/35/26/947783526.db2.gz DUJWHTNUQCCVJN-UHFFFAOYSA-N -1 3 385.449 3.444 20 0 GGADHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1C(=O)OC(C)(C)C ZINC000826270533 947783533 /nfs/dbraw/zinc/78/35/33/947783533.db2.gz DUJWHTNUQCCVJN-UHFFFAOYSA-N -1 3 385.449 3.444 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@H](C)C[C@@H](C)O ZINC000826272078 947790356 /nfs/dbraw/zinc/79/03/56/947790356.db2.gz SWWRPPWASMBUGA-ZIAGYGMSSA-N -1 3 396.451 3.248 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@H](C)C[C@@H](C)O ZINC000826272078 947790364 /nfs/dbraw/zinc/79/03/64/947790364.db2.gz SWWRPPWASMBUGA-ZIAGYGMSSA-N -1 3 396.451 3.248 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826283487 947815400 /nfs/dbraw/zinc/81/54/00/947815400.db2.gz SCISARLRBWPXTL-BEFAXECRSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826283487 947815404 /nfs/dbraw/zinc/81/54/04/947815404.db2.gz SCISARLRBWPXTL-BEFAXECRSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826289199 947840420 /nfs/dbraw/zinc/84/04/20/947840420.db2.gz OYIROLMQZRGCMK-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826289199 947840427 /nfs/dbraw/zinc/84/04/27/947840427.db2.gz OYIROLMQZRGCMK-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826290991 947846430 /nfs/dbraw/zinc/84/64/30/947846430.db2.gz KETMUPULIBAKEO-UHFFFAOYSA-N -1 3 384.396 3.069 20 0 GGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826290991 947846438 /nfs/dbraw/zinc/84/64/38/947846438.db2.gz KETMUPULIBAKEO-UHFFFAOYSA-N -1 3 384.396 3.069 20 0 GGADHM Cc1cccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826295920 947855550 /nfs/dbraw/zinc/85/55/50/947855550.db2.gz CZWHKRCIKDIHQO-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826295920 947855552 /nfs/dbraw/zinc/85/55/52/947855552.db2.gz CZWHKRCIKDIHQO-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826299792 947868785 /nfs/dbraw/zinc/86/87/85/947868785.db2.gz VLYTUOCRXFWRQN-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826323851 947945620 /nfs/dbraw/zinc/94/56/20/947945620.db2.gz UTWBGQPDDKQUBG-GFCCVEGCSA-N -1 3 387.465 3.438 20 0 GGADHM Cc1nn(C)c(C)c1CCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826333542 947968390 /nfs/dbraw/zinc/96/83/90/947968390.db2.gz LOAYUOBKKIFIPK-UHFFFAOYSA-N -1 3 390.289 3.024 20 0 GGADHM Cc1nn(C)c(C)c1CCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826333542 947968397 /nfs/dbraw/zinc/96/83/97/947968397.db2.gz LOAYUOBKKIFIPK-UHFFFAOYSA-N -1 3 390.289 3.024 20 0 GGADHM Cc1oc(C)c(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1C ZINC000826340951 947978782 /nfs/dbraw/zinc/97/87/82/947978782.db2.gz PXQWTYNEFZCFEK-UHFFFAOYSA-N -1 3 397.826 3.476 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@@H]2/C=C\c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826342176 947982122 /nfs/dbraw/zinc/98/21/22/947982122.db2.gz ZXJHKBGWZASIPT-QXPKXGMISA-N -1 3 392.463 3.193 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@@H]2/C=C\c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826342176 947982133 /nfs/dbraw/zinc/98/21/33/947982133.db2.gz ZXJHKBGWZASIPT-QXPKXGMISA-N -1 3 392.463 3.193 20 0 GGADHM C[C@H](C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656148 947986262 /nfs/dbraw/zinc/98/62/62/947986262.db2.gz CGWHIGYAHOANTI-BONVTDFDSA-N -1 3 391.353 3.096 20 0 GGADHM C[C@H](C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656148 947986265 /nfs/dbraw/zinc/98/62/65/947986265.db2.gz CGWHIGYAHOANTI-BONVTDFDSA-N -1 3 391.353 3.096 20 0 GGADHM C[C@H](C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1)[C@H](C)C(C)(C)C ZINC001573664002 948044686 /nfs/dbraw/zinc/04/46/86/948044686.db2.gz QJGBFJDWXZEYTQ-GJZGRUSLSA-N -1 3 385.512 3.307 20 0 GGADHM C[C@H](C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1)[C@H](C)C(C)(C)C ZINC001573664002 948044694 /nfs/dbraw/zinc/04/46/94/948044694.db2.gz QJGBFJDWXZEYTQ-GJZGRUSLSA-N -1 3 385.512 3.307 20 0 GGADHM C[C@H]([C@H](C)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1)C(C)(C)C ZINC001573664004 948045443 /nfs/dbraw/zinc/04/54/43/948045443.db2.gz QJGBFJDWXZEYTQ-LSDHHAIUSA-N -1 3 385.512 3.307 20 0 GGADHM C[C@H]([C@H](C)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1)C(C)(C)C ZINC001573664004 948045452 /nfs/dbraw/zinc/04/54/52/948045452.db2.gz QJGBFJDWXZEYTQ-LSDHHAIUSA-N -1 3 385.512 3.307 20 0 GGADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2ccc3c(c2)CCO3)n1 ZINC000826350605 948097128 /nfs/dbraw/zinc/09/71/28/948097128.db2.gz DECIVKTXLFJVKN-UHFFFAOYSA-N -1 3 393.838 3.253 20 0 GGADHM Clc1ccc(-n2ccc(NCc3cccc4c3OCO4)n2)c(-c2nnn[n-]2)c1 ZINC000826351498 948100409 /nfs/dbraw/zinc/10/04/09/948100409.db2.gz OVINKXBLZJMNHN-UHFFFAOYSA-N -1 3 395.810 3.047 20 0 GGADHM Clc1ccc(-n2ccc(NCc3cccc4c3OCO4)n2)c(-c2nn[n-]n2)c1 ZINC000826351498 948100414 /nfs/dbraw/zinc/10/04/14/948100414.db2.gz OVINKXBLZJMNHN-UHFFFAOYSA-N -1 3 395.810 3.047 20 0 GGADHM Clc1ccc(N2CC[C@@H](Nc3cnccc3-c3nnn[n-]3)C2)cc1Cl ZINC000826352146 948102682 /nfs/dbraw/zinc/10/26/82/948102682.db2.gz PCYNBXKLSMJFRZ-SNVBAGLBSA-N -1 3 376.251 3.259 20 0 GGADHM Clc1ccc(N2CC[C@@H](Nc3cnccc3-c3nn[n-]n3)C2)cc1Cl ZINC000826352146 948102685 /nfs/dbraw/zinc/10/26/85/948102685.db2.gz PCYNBXKLSMJFRZ-SNVBAGLBSA-N -1 3 376.251 3.259 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000826357996 948112686 /nfs/dbraw/zinc/11/26/86/948112686.db2.gz ZNSFFJDYFACWBR-CDNLZTBQSA-N -1 3 382.493 3.365 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000826357996 948112692 /nfs/dbraw/zinc/11/26/92/948112692.db2.gz ZNSFFJDYFACWBR-CDNLZTBQSA-N -1 3 382.493 3.365 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000826358302 948113061 /nfs/dbraw/zinc/11/30/61/948113061.db2.gz OCNLBEFRWJUEIL-GFCCVEGCSA-N -1 3 396.838 3.054 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000826358302 948113067 /nfs/dbraw/zinc/11/30/67/948113067.db2.gz OCNLBEFRWJUEIL-GFCCVEGCSA-N -1 3 396.838 3.054 20 0 GGADHM Cn1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c(-c2ccccc2)n1 ZINC000826362222 948136216 /nfs/dbraw/zinc/13/62/16/948136216.db2.gz IZPGKRKUILJDFN-UHFFFAOYSA-N -1 3 382.431 3.428 20 0 GGADHM Cn1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c(-c2ccccc2)n1 ZINC000826362222 948136220 /nfs/dbraw/zinc/13/62/20/948136220.db2.gz IZPGKRKUILJDFN-UHFFFAOYSA-N -1 3 382.431 3.428 20 0 GGADHM FC(F)(F)COc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826367604 948146755 /nfs/dbraw/zinc/14/67/55/948146755.db2.gz GOKKQPMMYVVFNA-UHFFFAOYSA-N -1 3 380.326 3.266 20 0 GGADHM FC(F)(F)COc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826367604 948146759 /nfs/dbraw/zinc/14/67/59/948146759.db2.gz GOKKQPMMYVVFNA-UHFFFAOYSA-N -1 3 380.326 3.266 20 0 GGADHM FC(F)(F)c1cc(Sc2cc(-n3ccnc3)ncn2)ccc1-c1nnn[n-]1 ZINC000826368395 948148712 /nfs/dbraw/zinc/14/87/12/948148712.db2.gz NVMCZOLJDDXVGP-UHFFFAOYSA-N -1 3 390.354 3.012 20 0 GGADHM FC(F)(F)c1cc(Sc2cc(-n3ccnc3)ncn2)ccc1-c1nn[n-]n1 ZINC000826368395 948148713 /nfs/dbraw/zinc/14/87/13/948148713.db2.gz NVMCZOLJDDXVGP-UHFFFAOYSA-N -1 3 390.354 3.012 20 0 GGADHM O=C(C=Cc1cccs1)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826403066 948227484 /nfs/dbraw/zinc/22/74/84/948227484.db2.gz JBPDHLJDZLOLQU-WAYWQWQTSA-N -1 3 391.250 3.447 20 0 GGADHM O=C(C=Cc1cccs1)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826403066 948227492 /nfs/dbraw/zinc/22/74/92/948227492.db2.gz JBPDHLJDZLOLQU-WAYWQWQTSA-N -1 3 391.250 3.447 20 0 GGADHM O=C(CCCc1ccsc1)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826406821 948236714 /nfs/dbraw/zinc/23/67/14/948236714.db2.gz ONOCUSNYVVUBSK-UHFFFAOYSA-N -1 3 396.520 3.036 20 0 GGADHM O=C(CCCc1ccsc1)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826406821 948236723 /nfs/dbraw/zinc/23/67/23/948236723.db2.gz ONOCUSNYVVUBSK-UHFFFAOYSA-N -1 3 396.520 3.036 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1sccc1-c1nnn[n-]1 ZINC000826408210 948242235 /nfs/dbraw/zinc/24/22/35/948242235.db2.gz VHGSPERHCBQZDM-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1sccc1-c1nn[n-]n1 ZINC000826408210 948242243 /nfs/dbraw/zinc/24/22/43/948242243.db2.gz VHGSPERHCBQZDM-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1CCc2c1cccc2Cl ZINC000826428229 948277248 /nfs/dbraw/zinc/27/72/48/948277248.db2.gz TZQYJDFPIAWHCE-INIZCTEOSA-N -1 3 379.851 3.355 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1CCc2c1cccc2Cl ZINC000826428229 948277253 /nfs/dbraw/zinc/27/72/53/948277253.db2.gz TZQYJDFPIAWHCE-INIZCTEOSA-N -1 3 379.851 3.355 20 0 GGADHM O=C(NCC(C1CC1)C1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826432590 948285699 /nfs/dbraw/zinc/28/56/99/948285699.db2.gz FUPKDDCLRQJKBV-UHFFFAOYSA-N -1 3 378.480 3.102 20 0 GGADHM O=C(NCC(C1CC1)C1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826432590 948285710 /nfs/dbraw/zinc/28/57/10/948285710.db2.gz FUPKDDCLRQJKBV-UHFFFAOYSA-N -1 3 378.480 3.102 20 0 GGADHM O=C(NCCCC1CC1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826436306 948292350 /nfs/dbraw/zinc/29/23/50/948292350.db2.gz PLEAHFPMWDRITH-UHFFFAOYSA-N -1 3 386.847 3.018 20 0 GGADHM O=C(NCCCC1CC1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826436306 948292355 /nfs/dbraw/zinc/29/23/55/948292355.db2.gz PLEAHFPMWDRITH-UHFFFAOYSA-N -1 3 386.847 3.018 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCCS1 ZINC000826440338 948297629 /nfs/dbraw/zinc/29/76/29/948297629.db2.gz JMYJGZTXADQWIO-GOSISDBHSA-N -1 3 379.489 3.436 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCCS1 ZINC000826440338 948297636 /nfs/dbraw/zinc/29/76/36/948297636.db2.gz JMYJGZTXADQWIO-GOSISDBHSA-N -1 3 379.489 3.436 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826442049 948303998 /nfs/dbraw/zinc/30/39/98/948303998.db2.gz HNHMXZBQWKJKSS-INIZCTEOSA-N -1 3 398.854 3.233 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826442049 948304003 /nfs/dbraw/zinc/30/40/03/948304003.db2.gz HNHMXZBQWKJKSS-INIZCTEOSA-N -1 3 398.854 3.233 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826452952 948322146 /nfs/dbraw/zinc/32/21/46/948322146.db2.gz PGYRVVBCYSNAHV-JHJVBQTASA-N -1 3 396.929 3.021 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826452952 948322155 /nfs/dbraw/zinc/32/21/55/948322155.db2.gz PGYRVVBCYSNAHV-JHJVBQTASA-N -1 3 396.929 3.021 20 0 GGADHM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455160 948325945 /nfs/dbraw/zinc/32/59/45/948325945.db2.gz BJZJCYBDQSHOEC-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455160 948325953 /nfs/dbraw/zinc/32/59/53/948325953.db2.gz BJZJCYBDQSHOEC-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456764 948331323 /nfs/dbraw/zinc/33/13/23/948331323.db2.gz WCBVYVUPEHZFDR-HNNXBMFYSA-N -1 3 391.353 3.034 20 0 GGADHM O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456764 948331330 /nfs/dbraw/zinc/33/13/30/948331330.db2.gz WCBVYVUPEHZFDR-HNNXBMFYSA-N -1 3 391.353 3.034 20 0 GGADHM O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456765 948331406 /nfs/dbraw/zinc/33/14/06/948331406.db2.gz WCBVYVUPEHZFDR-OAHLLOKOSA-N -1 3 391.353 3.034 20 0 GGADHM O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456765 948331413 /nfs/dbraw/zinc/33/14/13/948331413.db2.gz WCBVYVUPEHZFDR-OAHLLOKOSA-N -1 3 391.353 3.034 20 0 GGADHM O=C(Nc1ccccc1Nc1ccc(F)cc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826457583 948332264 /nfs/dbraw/zinc/33/22/64/948332264.db2.gz HRBKVAVYLPWYAP-UHFFFAOYSA-N -1 3 381.346 3.469 20 0 GGADHM O=C(Nc1ccccc1Nc1ccc(F)cc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826457583 948332271 /nfs/dbraw/zinc/33/22/71/948332271.db2.gz HRBKVAVYLPWYAP-UHFFFAOYSA-N -1 3 381.346 3.469 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)[C@H]1CC12CCCC2 ZINC000826457610 948332551 /nfs/dbraw/zinc/33/25/51/948332551.db2.gz IZHHJOBRZXKFIV-GFCCVEGCSA-N -1 3 383.843 3.225 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)C12CCC(CC1)C2 ZINC000826458006 948335486 /nfs/dbraw/zinc/33/54/86/948335486.db2.gz ZIZWBLKXXVXLTN-UHFFFAOYSA-N -1 3 383.843 3.225 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1ccc(Cl)o1 ZINC000826458474 948340459 /nfs/dbraw/zinc/34/04/59/948340459.db2.gz RIBGRHYLJMEBAW-UHFFFAOYSA-N -1 3 390.190 3.205 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1ccc(Cl)o1 ZINC000826458474 948340471 /nfs/dbraw/zinc/34/04/71/948340471.db2.gz RIBGRHYLJMEBAW-UHFFFAOYSA-N -1 3 390.190 3.205 20 0 GGADHM O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826459615 948343043 /nfs/dbraw/zinc/34/30/43/948343043.db2.gz QZPRCEOJDSKJTQ-UHFFFAOYSA-N -1 3 389.803 3.363 20 0 GGADHM O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826459615 948343050 /nfs/dbraw/zinc/34/30/50/948343050.db2.gz QZPRCEOJDSKJTQ-UHFFFAOYSA-N -1 3 389.803 3.363 20 0 GGADHM O=C(Nc1ncc(C2CCCCC2)s1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826460134 948344365 /nfs/dbraw/zinc/34/43/65/948344365.db2.gz OHKBZPKXLPBLTO-OAHLLOKOSA-N -1 3 384.465 3.043 20 0 GGADHM O=C(Nc1ncc(C2CCCCC2)s1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826460134 948344378 /nfs/dbraw/zinc/34/43/78/948344378.db2.gz OHKBZPKXLPBLTO-OAHLLOKOSA-N -1 3 384.465 3.043 20 0 GGADHM O=C(OCc1ccc(OCc2cccs2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826466246 948360341 /nfs/dbraw/zinc/36/03/41/948360341.db2.gz UVNJIPYPKDUARM-UHFFFAOYSA-N -1 3 381.417 3.192 20 0 GGADHM O=C(OCc1ccc(OCc2cccs2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826466246 948360349 /nfs/dbraw/zinc/36/03/49/948360349.db2.gz UVNJIPYPKDUARM-UHFFFAOYSA-N -1 3 381.417 3.192 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(OCc2cscn2)c1 ZINC000826468390 948366184 /nfs/dbraw/zinc/36/61/84/948366184.db2.gz ODEUGJNXHPXCIQ-UHFFFAOYSA-N -1 3 379.401 3.121 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCc2cscn2)c1 ZINC000826468390 948366193 /nfs/dbraw/zinc/36/61/93/948366193.db2.gz ODEUGJNXHPXCIQ-UHFFFAOYSA-N -1 3 379.401 3.121 20 0 GGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826482630 948395709 /nfs/dbraw/zinc/39/57/09/948395709.db2.gz LNAHOGSRXMAWFP-WDZFZDKYSA-N -1 3 386.184 3.261 20 0 GGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826482630 948395713 /nfs/dbraw/zinc/39/57/13/948395713.db2.gz LNAHOGSRXMAWFP-WDZFZDKYSA-N -1 3 386.184 3.261 20 0 GGADHM O=c1c2ccccc2ncn1CCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826501237 948417292 /nfs/dbraw/zinc/41/72/92/948417292.db2.gz GMVGCEYDILWRCK-UHFFFAOYSA-N -1 3 384.852 3.022 20 0 GGADHM O=c1c2ccccc2ncn1CCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826501237 948417300 /nfs/dbraw/zinc/41/73/00/948417300.db2.gz GMVGCEYDILWRCK-UHFFFAOYSA-N -1 3 384.852 3.022 20 0 GGADHM OCC[C@H](CNc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826509471 948428048 /nfs/dbraw/zinc/42/80/48/948428048.db2.gz WMTBJSVHSJFAMA-CYBMUJFWSA-N -1 3 388.269 3.207 20 0 GGADHM OCC[C@H](CNc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826509471 948428052 /nfs/dbraw/zinc/42/80/52/948428052.db2.gz WMTBJSVHSJFAMA-CYBMUJFWSA-N -1 3 388.269 3.207 20 0 GGADHM c1cc(N2CCCCC2)ncc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826517141 948443789 /nfs/dbraw/zinc/44/37/89/948443789.db2.gz SBGFTSOUJYCWEV-UHFFFAOYSA-N -1 3 390.495 3.138 20 0 GGADHM c1cc(N2CCCCC2)ncc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826517141 948443795 /nfs/dbraw/zinc/44/37/95/948443795.db2.gz SBGFTSOUJYCWEV-UHFFFAOYSA-N -1 3 390.495 3.138 20 0 GGADHM c1cc(OC2CCN(Cc3nc4c(s3)CCCC4)CC2)cc(-c2nnn[n-]2)c1 ZINC000826517888 948445664 /nfs/dbraw/zinc/44/56/64/948445664.db2.gz SFNSVMIOZZQDMK-UHFFFAOYSA-N -1 3 396.520 3.245 20 0 GGADHM c1cc(OC2CCN(Cc3nc4c(s3)CCCC4)CC2)cc(-c2nn[n-]n2)c1 ZINC000826517888 948445672 /nfs/dbraw/zinc/44/56/72/948445672.db2.gz SFNSVMIOZZQDMK-UHFFFAOYSA-N -1 3 396.520 3.245 20 0 GGADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3F)cs2)o1 ZINC001129729398 948471831 /nfs/dbraw/zinc/47/18/31/948471831.db2.gz XDAATRAJAUUVLJ-UHFFFAOYSA-N -1 3 384.396 3.212 20 0 GGADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cs2)o1 ZINC001129729398 948471833 /nfs/dbraw/zinc/47/18/33/948471833.db2.gz XDAATRAJAUUVLJ-UHFFFAOYSA-N -1 3 384.396 3.212 20 0 GGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001169581161 948489566 /nfs/dbraw/zinc/48/95/66/948489566.db2.gz HLQXHVPMFMUZGE-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001169581161 948489570 /nfs/dbraw/zinc/48/95/70/948489570.db2.gz HLQXHVPMFMUZGE-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM CC(C)CC(CC(C)C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001186667092 948493090 /nfs/dbraw/zinc/49/30/90/948493090.db2.gz WGOJYIABENZQRT-UHFFFAOYSA-N -1 3 385.921 3.259 20 0 GGADHM CC(C)CC(CC(C)C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001186667092 948493095 /nfs/dbraw/zinc/49/30/95/948493095.db2.gz WGOJYIABENZQRT-UHFFFAOYSA-N -1 3 385.921 3.259 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cc12 ZINC001275483798 948498249 /nfs/dbraw/zinc/49/82/49/948498249.db2.gz RFBYXWUZMDOYMZ-UHFFFAOYSA-N -1 3 385.428 3.330 20 0 GGADHM COc1ccc(-c2nc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cs2)cc1 ZINC001436648090 948516676 /nfs/dbraw/zinc/51/66/76/948516676.db2.gz FBQVHFKJCCRSDK-UHFFFAOYSA-N -1 3 396.407 3.390 20 0 GGADHM COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001442655490 948519759 /nfs/dbraw/zinc/51/97/59/948519759.db2.gz FQFIUMORIJGBGK-UHFFFAOYSA-N -1 3 379.298 3.026 20 0 GGADHM COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001442655490 948519763 /nfs/dbraw/zinc/51/97/63/948519763.db2.gz FQFIUMORIJGBGK-UHFFFAOYSA-N -1 3 379.298 3.026 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)cc(Br)c1 ZINC001460789711 948525872 /nfs/dbraw/zinc/52/58/72/948525872.db2.gz UUZWHGULPJZQKE-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc(Br)c1 ZINC001460789711 948525877 /nfs/dbraw/zinc/52/58/77/948525877.db2.gz UUZWHGULPJZQKE-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528506710 948542979 /nfs/dbraw/zinc/54/29/79/948542979.db2.gz QLOFUQUAJGMROJ-UHFFFAOYSA-N -1 3 375.791 3.455 20 0 GGADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528506710 948542983 /nfs/dbraw/zinc/54/29/83/948542983.db2.gz QLOFUQUAJGMROJ-UHFFFAOYSA-N -1 3 375.791 3.455 20 0 GGADHM CCOc1ccc(OCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001535492913 948546088 /nfs/dbraw/zinc/54/60/88/948546088.db2.gz PWNFWTOBDDUMIE-UHFFFAOYSA-N -1 3 385.399 3.202 20 0 GGADHM CCOc1ccc(OCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001535492913 948546095 /nfs/dbraw/zinc/54/60/95/948546095.db2.gz PWNFWTOBDDUMIE-UHFFFAOYSA-N -1 3 385.399 3.202 20 0 GGADHM Cc1cc(Br)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001535492906 948546611 /nfs/dbraw/zinc/54/66/11/948546611.db2.gz PNBFVAOGYJJDHH-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1cc(Br)cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001535492906 948546621 /nfs/dbraw/zinc/54/66/21/948546621.db2.gz PNBFVAOGYJJDHH-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)co1 ZINC001557790082 948556571 /nfs/dbraw/zinc/55/65/71/948556571.db2.gz CBRZQWBJDYWUET-CMDGGOBGSA-N -1 3 381.392 3.067 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)co1 ZINC001557790082 948556576 /nfs/dbraw/zinc/55/65/76/948556576.db2.gz CBRZQWBJDYWUET-CMDGGOBGSA-N -1 3 381.392 3.067 20 0 GGADHM C[C@@H](C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccccn1 ZINC001573729112 948565910 /nfs/dbraw/zinc/56/59/10/948565910.db2.gz GZFMHPFBZSFNMC-CYBMUJFWSA-N -1 3 390.472 3.410 20 0 GGADHM C[C@H]([C@H](C)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)C(C)(C)C ZINC001573731726 948593984 /nfs/dbraw/zinc/59/39/84/948593984.db2.gz YBRJZGBHPXKBJE-QWHCGFSZSA-N -1 3 381.484 3.191 20 0 GGADHM C[C@H]([C@H](C)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)C(C)(C)C ZINC001573731726 948593988 /nfs/dbraw/zinc/59/39/88/948593988.db2.gz YBRJZGBHPXKBJE-QWHCGFSZSA-N -1 3 381.484 3.191 20 0 GGADHM CC(C)c1ccc(N(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)cc1 ZINC001574416772 948759113 /nfs/dbraw/zinc/75/91/13/948759113.db2.gz HIWCNIHNDRJWSQ-UHFFFAOYSA-N -1 3 391.884 3.469 20 0 GGADHM CC(C)c1ccc(N(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)cc1 ZINC001574416772 948759124 /nfs/dbraw/zinc/75/91/24/948759124.db2.gz HIWCNIHNDRJWSQ-UHFFFAOYSA-N -1 3 391.884 3.469 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccc(F)cc21 ZINC001573755363 948762771 /nfs/dbraw/zinc/76/27/71/948762771.db2.gz CJLKZWPGBQQSSN-SNVBAGLBSA-N -1 3 386.818 3.049 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccc(F)cc21 ZINC001573755363 948762775 /nfs/dbraw/zinc/76/27/75/948762775.db2.gz CJLKZWPGBQQSSN-SNVBAGLBSA-N -1 3 386.818 3.049 20 0 GGADHM CC(C)[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001574079078 948763296 /nfs/dbraw/zinc/76/32/96/948763296.db2.gz IWILXCJXPHKILJ-ZDUSSCGKSA-N -1 3 384.362 3.321 20 0 GGADHM CC(C)[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001574079078 948763309 /nfs/dbraw/zinc/76/33/09/948763309.db2.gz IWILXCJXPHKILJ-ZDUSSCGKSA-N -1 3 384.362 3.321 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC001573755790 948784216 /nfs/dbraw/zinc/78/42/16/948784216.db2.gz IJUHJTJOZCKETE-GUYCJALGSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC001573755790 948784234 /nfs/dbraw/zinc/78/42/34/948784234.db2.gz IJUHJTJOZCKETE-GUYCJALGSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1Br)c1cccs1 ZINC001573755824 948787724 /nfs/dbraw/zinc/78/77/24/948787724.db2.gz JBHXRDHMAVHGLX-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1Br)c1cccs1 ZINC001573755824 948787737 /nfs/dbraw/zinc/78/77/37/948787737.db2.gz JBHXRDHMAVHGLX-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM CC(C)c1ccccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001574419993 948794406 /nfs/dbraw/zinc/79/44/06/948794406.db2.gz NXSWPJJCLRVKEO-UHFFFAOYSA-N -1 3 394.454 3.092 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@](F)(c2ccccc2)C1 ZINC001573756850 948825586 /nfs/dbraw/zinc/82/55/86/948825586.db2.gz UOJVSRGVGHZDSN-YCRPNKLZSA-N -1 3 394.454 3.155 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@](F)(c2ccccc2)C1 ZINC001573756850 948825594 /nfs/dbraw/zinc/82/55/94/948825594.db2.gz UOJVSRGVGHZDSN-YCRPNKLZSA-N -1 3 394.454 3.155 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccncc1 ZINC001573757189 948827531 /nfs/dbraw/zinc/82/75/31/948827531.db2.gz YFSQBNALWOBBGB-ZDUSSCGKSA-N -1 3 387.403 3.191 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccncc1 ZINC001573757189 948827547 /nfs/dbraw/zinc/82/75/47/948827547.db2.gz YFSQBNALWOBBGB-ZDUSSCGKSA-N -1 3 387.403 3.191 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCO1 ZINC001573757169 948828854 /nfs/dbraw/zinc/82/88/54/948828854.db2.gz YBTYFCKQTHIAMD-FZKQIMNGSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCO1 ZINC001573757169 948828877 /nfs/dbraw/zinc/82/88/77/948828877.db2.gz YBTYFCKQTHIAMD-FZKQIMNGSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)c1ccco1 ZINC001573757270 948834835 /nfs/dbraw/zinc/83/48/35/948834835.db2.gz ZKNACFZKOGIRGX-GFCCVEGCSA-N -1 3 376.376 3.389 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)c1ccco1 ZINC001573757270 948834848 /nfs/dbraw/zinc/83/48/48/948834848.db2.gz ZKNACFZKOGIRGX-GFCCVEGCSA-N -1 3 376.376 3.389 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cccc(OC2CC2)c1 ZINC001574083522 948888270 /nfs/dbraw/zinc/88/82/70/948888270.db2.gz UUXXUISYJLZGIL-IBGZPJMESA-N -1 3 394.431 3.417 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cccc(OC2CC2)c1 ZINC001574083522 948888288 /nfs/dbraw/zinc/88/82/88/948888288.db2.gz UUXXUISYJLZGIL-IBGZPJMESA-N -1 3 394.431 3.417 20 0 GGADHM CC[C@@](O)(CCC(F)(F)F)CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001589572796 948918671 /nfs/dbraw/zinc/91/86/71/948918671.db2.gz HDYSSUJPYVHSPW-QGZVFWFLSA-N -1 3 392.418 3.154 20 0 GGADHM CC[C@](O)(CCC(F)(F)F)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589573639 948924728 /nfs/dbraw/zinc/92/47/28/948924728.db2.gz NVPVGBNTKSAYOF-GUYCJALGSA-N -1 3 392.418 3.154 20 0 GGADHM CC(C)c1nn(C)cc1Nc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001574433407 948956105 /nfs/dbraw/zinc/95/61/05/948956105.db2.gz LTJNOWXYOSCCLZ-UHFFFAOYSA-N -1 3 380.225 3.369 20 0 GGADHM CC(C)c1nn(C)cc1Nc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001574433407 948956116 /nfs/dbraw/zinc/95/61/16/948956116.db2.gz LTJNOWXYOSCCLZ-UHFFFAOYSA-N -1 3 380.225 3.369 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1C[C@H]1C ZINC001574089558 948960365 /nfs/dbraw/zinc/96/03/65/948960365.db2.gz IDKAJTQTVAVMNZ-XOKHGSTOSA-N -1 3 378.484 3.331 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1C[C@H]1C ZINC001574089558 948960374 /nfs/dbraw/zinc/96/03/74/948960374.db2.gz IDKAJTQTVAVMNZ-XOKHGSTOSA-N -1 3 378.484 3.331 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1C[C@@H]1C ZINC001574089556 948960633 /nfs/dbraw/zinc/96/06/33/948960633.db2.gz IDKAJTQTVAVMNZ-RRQGHBQHSA-N -1 3 378.484 3.331 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1C[C@@H]1C ZINC001574089556 948960639 /nfs/dbraw/zinc/96/06/39/948960639.db2.gz IDKAJTQTVAVMNZ-RRQGHBQHSA-N -1 3 378.484 3.331 20 0 GGADHM CC(F)(F)CCCOc1cc(-c2nnn[n-]2)ccc1I ZINC001575241212 948974751 /nfs/dbraw/zinc/97/47/51/948974751.db2.gz CQYPUSCHYRGSGB-UHFFFAOYSA-N -1 3 394.163 3.286 20 0 GGADHM CC(F)(F)CCCOc1cc(-c2nn[n-]n2)ccc1I ZINC001575241212 948974764 /nfs/dbraw/zinc/97/47/64/948974764.db2.gz CQYPUSCHYRGSGB-UHFFFAOYSA-N -1 3 394.163 3.286 20 0 GGADHM CC(F)(F)c1c(F)cccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001575241584 948975191 /nfs/dbraw/zinc/97/51/91/948975191.db2.gz DAKXNAHRBQJFEW-UHFFFAOYSA-N -1 3 377.326 3.135 20 0 GGADHM CC(F)(F)c1c(F)cccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001575241584 948975197 /nfs/dbraw/zinc/97/51/97/948975197.db2.gz DAKXNAHRBQJFEW-UHFFFAOYSA-N -1 3 377.326 3.135 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001575502484 949026410 /nfs/dbraw/zinc/02/64/10/949026410.db2.gz HCQRGEGXLWCITF-MRVPVSSYSA-N -1 3 379.317 3.256 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001575502484 949026424 /nfs/dbraw/zinc/02/64/24/949026424.db2.gz HCQRGEGXLWCITF-MRVPVSSYSA-N -1 3 379.317 3.256 20 0 GGADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001575503954 949053317 /nfs/dbraw/zinc/05/33/17/949053317.db2.gz NMOWHPSJLZHKHG-MRVPVSSYSA-N -1 3 378.770 3.027 20 0 GGADHM CC(C)C1(c2ccccc2)CN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001574092259 949053449 /nfs/dbraw/zinc/05/34/49/949053449.db2.gz MZTYJESDEMHJIB-UHFFFAOYSA-N -1 3 380.427 3.447 20 0 GGADHM CC(C)C1(c2ccccc2)CN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001574092259 949053464 /nfs/dbraw/zinc/05/34/64/949053464.db2.gz MZTYJESDEMHJIB-UHFFFAOYSA-N -1 3 380.427 3.447 20 0 GGADHM C[C@H](SCC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC001575504103 949065574 /nfs/dbraw/zinc/06/55/74/949065574.db2.gz SJXRSXYTPRONEP-JTQLQIEISA-N -1 3 397.439 3.315 20 0 GGADHM C[C@H](SCC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001575504103 949065589 /nfs/dbraw/zinc/06/55/89/949065589.db2.gz SJXRSXYTPRONEP-JTQLQIEISA-N -1 3 397.439 3.315 20 0 GGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1Cl)C(=O)NCc1ccccc1F ZINC001575504412 949070051 /nfs/dbraw/zinc/07/00/51/949070051.db2.gz TXICIQXWFKOKGR-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1Cl)C(=O)NCc1ccccc1F ZINC001575504412 949070067 /nfs/dbraw/zinc/07/00/67/949070067.db2.gz TXICIQXWFKOKGR-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001575504436 949073178 /nfs/dbraw/zinc/07/31/78/949073178.db2.gz UMJHCWIQKFOJPA-UTUOFQBUSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001575504436 949073194 /nfs/dbraw/zinc/07/31/94/949073194.db2.gz UMJHCWIQKFOJPA-UTUOFQBUSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001575504583 949077014 /nfs/dbraw/zinc/07/70/14/949077014.db2.gz SUUUIEXDTIUMFL-XOKHGSTOSA-N -1 3 399.495 3.144 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001575504583 949077034 /nfs/dbraw/zinc/07/70/34/949077034.db2.gz SUUUIEXDTIUMFL-XOKHGSTOSA-N -1 3 399.495 3.144 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001575504973 949098927 /nfs/dbraw/zinc/09/89/27/949098927.db2.gz WKQFYTGODDARQN-SECBINFHSA-N -1 3 397.370 3.078 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001575504973 949098959 /nfs/dbraw/zinc/09/89/59/949098959.db2.gz WKQFYTGODDARQN-SECBINFHSA-N -1 3 397.370 3.078 20 0 GGADHM C[C@H](NC(=O)[C@H](C)Sc1ccncc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC001575504943 949099107 /nfs/dbraw/zinc/09/91/07/949099107.db2.gz ZNGVJXRMFGMFMU-RYUDHWBXSA-N -1 3 394.460 3.366 20 0 GGADHM C[C@H](NC(=O)[C@H](C)Sc1ccncc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001575504943 949099130 /nfs/dbraw/zinc/09/91/30/949099130.db2.gz ZNGVJXRMFGMFMU-RYUDHWBXSA-N -1 3 394.460 3.366 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505014 949103632 /nfs/dbraw/zinc/10/36/32/949103632.db2.gz XISKNHXIFUCWTQ-ZTFRIQLXSA-N -1 3 383.402 3.468 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505014 949103640 /nfs/dbraw/zinc/10/36/40/949103640.db2.gz XISKNHXIFUCWTQ-ZTFRIQLXSA-N -1 3 383.402 3.468 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccn(-c2ccccc2F)n1 ZINC001575509458 949112739 /nfs/dbraw/zinc/11/27/39/949112739.db2.gz CHCYZEMZNXIGAM-CQSZACIVSA-N -1 3 377.427 3.385 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(-c2ccccn2)s1 ZINC001575510200 949119974 /nfs/dbraw/zinc/11/99/74/949119974.db2.gz GVTFYQHOXRHMMP-LBPRGKRZSA-N -1 3 391.460 3.218 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(-c2ccccn2)s1 ZINC001575510200 949119987 /nfs/dbraw/zinc/11/99/87/949119987.db2.gz GVTFYQHOXRHMMP-LBPRGKRZSA-N -1 3 391.460 3.218 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)nc1-c1ccccc1 ZINC001575511709 949135226 /nfs/dbraw/zinc/13/52/26/949135226.db2.gz KYWOPYZKTRYPOF-AWEZNQCLSA-N -1 3 387.447 3.100 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)nc1-c1ccccc1 ZINC001575511709 949135244 /nfs/dbraw/zinc/13/52/44/949135244.db2.gz KYWOPYZKTRYPOF-AWEZNQCLSA-N -1 3 387.447 3.100 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ncoc1CCC(F)(F)F ZINC001575513224 949147055 /nfs/dbraw/zinc/14/70/55/949147055.db2.gz QVAJHAVRRAAHKU-JTQLQIEISA-N -1 3 394.357 3.183 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ncoc1CCC(F)(F)F ZINC001575513224 949147070 /nfs/dbraw/zinc/14/70/70/949147070.db2.gz QVAJHAVRRAAHKU-JTQLQIEISA-N -1 3 394.357 3.183 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)nc1-c1cccs1 ZINC001575513830 949155537 /nfs/dbraw/zinc/15/55/37/949155537.db2.gz SZDXBIJGJXAZLV-GFCCVEGCSA-N -1 3 393.476 3.162 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)nc1-c1cccs1 ZINC001575513830 949155550 /nfs/dbraw/zinc/15/55/50/949155550.db2.gz SZDXBIJGJXAZLV-GFCCVEGCSA-N -1 3 393.476 3.162 20 0 GGADHM CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001574098466 949161217 /nfs/dbraw/zinc/16/12/17/949161217.db2.gz AMZIZXOWIMUKDF-CQSZACIVSA-N -1 3 392.529 3.006 20 0 GGADHM CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574098466 949161226 /nfs/dbraw/zinc/16/12/26/949161226.db2.gz AMZIZXOWIMUKDF-CQSZACIVSA-N -1 3 392.529 3.006 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(-c2ccncc2)s1 ZINC001575514177 949161893 /nfs/dbraw/zinc/16/18/93/949161893.db2.gz WHCLJUXKMFSKHE-GFCCVEGCSA-N -1 3 391.460 3.218 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(-c2ccncc2)s1 ZINC001575514177 949161906 /nfs/dbraw/zinc/16/19/06/949161906.db2.gz WHCLJUXKMFSKHE-GFCCVEGCSA-N -1 3 391.460 3.218 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001574098501 949162707 /nfs/dbraw/zinc/16/27/07/949162707.db2.gz BDKLUFPYJBCZFM-IIBYNOLFSA-N -1 3 391.475 3.321 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001574098501 949162720 /nfs/dbraw/zinc/16/27/20/949162720.db2.gz BDKLUFPYJBCZFM-IIBYNOLFSA-N -1 3 391.475 3.321 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001574098731 949164178 /nfs/dbraw/zinc/16/41/78/949164178.db2.gz DTXWMAARCMNPSK-GOSISDBHSA-N -1 3 376.464 3.283 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001574098731 949164220 /nfs/dbraw/zinc/16/42/20/949164220.db2.gz DTXWMAARCMNPSK-GOSISDBHSA-N -1 3 376.464 3.283 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574098760 949166414 /nfs/dbraw/zinc/16/64/14/949166414.db2.gz FGDYJFULENWSNL-NQIIRXRSSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574098760 949166427 /nfs/dbraw/zinc/16/64/27/949166427.db2.gz FGDYJFULENWSNL-NQIIRXRSSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@@H]1CCc2nc(NC(=O)COc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC001574099481 949174003 /nfs/dbraw/zinc/17/40/03/949174003.db2.gz LBWGBHRBFNOPLL-GFCCVEGCSA-N -1 3 398.492 3.102 20 0 GGADHM CC(C)[C@@H]1CCc2nc(NC(=O)COc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC001574099481 949174013 /nfs/dbraw/zinc/17/40/13/949174013.db2.gz LBWGBHRBFNOPLL-GFCCVEGCSA-N -1 3 398.492 3.102 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001574099450 949175022 /nfs/dbraw/zinc/17/50/22/949175022.db2.gz KMRSRFBQLFGCNW-RXVVDRJESA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001574099450 949175030 /nfs/dbraw/zinc/17/50/30/949175030.db2.gz KMRSRFBQLFGCNW-RXVVDRJESA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001574099449 949175304 /nfs/dbraw/zinc/17/53/04/949175304.db2.gz KMRSRFBQLFGCNW-NQIIRXRSSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001574099449 949175318 /nfs/dbraw/zinc/17/53/18/949175318.db2.gz KMRSRFBQLFGCNW-NQIIRXRSSA-N -1 3 375.476 3.485 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001575514815 949177008 /nfs/dbraw/zinc/17/70/08/949177008.db2.gz ZDTFXHOVGYTARZ-NSHDSACASA-N -1 3 396.476 3.110 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001575514815 949177012 /nfs/dbraw/zinc/17/70/12/949177012.db2.gz ZDTFXHOVGYTARZ-NSHDSACASA-N -1 3 396.476 3.110 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001575515317 949185409 /nfs/dbraw/zinc/18/54/09/949185409.db2.gz HQDNZXOVTNQCKX-OAHLLOKOSA-N -1 3 387.447 3.244 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001575515317 949185417 /nfs/dbraw/zinc/18/54/17/949185417.db2.gz HQDNZXOVTNQCKX-OAHLLOKOSA-N -1 3 387.447 3.244 20 0 GGADHM CC(C)[C@H]1N(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC12CCCC2 ZINC001574099920 949186452 /nfs/dbraw/zinc/18/64/52/949186452.db2.gz QNAGBOZADGJTRM-RTBURBONSA-N -1 3 394.523 3.263 20 0 GGADHM CC(C)[C@H]1CCc2nc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001574099930 949191281 /nfs/dbraw/zinc/19/12/81/949191281.db2.gz RHBRVAKXSDDKMR-AWEZNQCLSA-N -1 3 397.508 3.406 20 0 GGADHM CC(C)[C@H]1CCc2nc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001574099930 949191292 /nfs/dbraw/zinc/19/12/92/949191292.db2.gz RHBRVAKXSDDKMR-AWEZNQCLSA-N -1 3 397.508 3.406 20 0 GGADHM CC(C)c1ocnc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574449880 949202209 /nfs/dbraw/zinc/20/22/09/949202209.db2.gz UMXOFFNGSZWJHS-UHFFFAOYSA-N -1 3 391.391 3.418 20 0 GGADHM CC(C)c1ocnc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574449880 949202225 /nfs/dbraw/zinc/20/22/25/949202225.db2.gz UMXOFFNGSZWJHS-UHFFFAOYSA-N -1 3 391.391 3.418 20 0 GGADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575517281 949225334 /nfs/dbraw/zinc/22/53/34/949225334.db2.gz UZAINPDFGAQAGP-IFXJQAMLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575517281 949225354 /nfs/dbraw/zinc/22/53/54/949225354.db2.gz UZAINPDFGAQAGP-IFXJQAMLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575517285 949229829 /nfs/dbraw/zinc/22/98/29/949229829.db2.gz UZAINPDFGAQAGP-KUHUBIRLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575517285 949229849 /nfs/dbraw/zinc/22/98/49/949229849.db2.gz UZAINPDFGAQAGP-KUHUBIRLSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(c2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)CC1 ZINC001575855866 949237497 /nfs/dbraw/zinc/23/74/97/949237497.db2.gz BBPLIIOGQDSXBW-UHFFFAOYSA-N -1 3 382.855 3.109 20 0 GGADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001575517692 949241375 /nfs/dbraw/zinc/24/13/75/949241375.db2.gz YDYBCVUEFCWZKJ-BEFAXECRSA-N -1 3 376.464 3.073 20 0 GGADHM C[C@H](NC(=O)C1(c2nccc3ccccc32)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001575256900 949264223 /nfs/dbraw/zinc/26/42/23/949264223.db2.gz XMQORWVZEJGSHY-AWEZNQCLSA-N -1 3 384.443 3.324 20 0 GGADHM C[C@H](NC(=O)C1(c2nccc3ccccc32)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001575256900 949264242 /nfs/dbraw/zinc/26/42/42/949264242.db2.gz XMQORWVZEJGSHY-AWEZNQCLSA-N -1 3 384.443 3.324 20 0 GGADHM CC(C)c1scnc1NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001574452861 949269706 /nfs/dbraw/zinc/26/97/06/949269706.db2.gz OURPLEKNMQJKJP-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1scnc1NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001574452861 949269725 /nfs/dbraw/zinc/26/97/25/949269725.db2.gz OURPLEKNMQJKJP-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575857668 949272648 /nfs/dbraw/zinc/27/26/48/949272648.db2.gz TVULHRVGEHLBOL-QGZVFWFLSA-N -1 3 390.369 3.365 20 0 GGADHM C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575857668 949272658 /nfs/dbraw/zinc/27/26/58/949272658.db2.gz TVULHRVGEHLBOL-QGZVFWFLSA-N -1 3 390.369 3.365 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)[C@H]1C ZINC001576153115 949274063 /nfs/dbraw/zinc/27/40/63/949274063.db2.gz LYFKZGGKRVCCNL-GBIKHYSHSA-N -1 3 378.274 3.184 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)[C@H]1C ZINC001576153115 949274085 /nfs/dbraw/zinc/27/40/85/949274085.db2.gz LYFKZGGKRVCCNL-GBIKHYSHSA-N -1 3 378.274 3.184 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)[C@@H]1C ZINC001576153116 949274439 /nfs/dbraw/zinc/27/44/39/949274439.db2.gz LYFKZGGKRVCCNL-GIPNMCIBSA-N -1 3 378.274 3.184 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)[C@@H]1C ZINC001576153116 949274449 /nfs/dbraw/zinc/27/44/49/949274449.db2.gz LYFKZGGKRVCCNL-GIPNMCIBSA-N -1 3 378.274 3.184 20 0 GGADHM C[C@@]1(c2ccccc2)CCCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575857780 949274564 /nfs/dbraw/zinc/27/45/64/949274564.db2.gz VSEAQWZWIYNVLU-IBGZPJMESA-N -1 3 383.402 3.496 20 0 GGADHM C[C@@]1(c2ccccc2)CCCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575857780 949274580 /nfs/dbraw/zinc/27/45/80/949274580.db2.gz VSEAQWZWIYNVLU-IBGZPJMESA-N -1 3 383.402 3.496 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C(=O)OC)cc2Br)C1 ZINC001589606526 949289797 /nfs/dbraw/zinc/28/97/97/949289797.db2.gz UAWWGMIHHPNJMN-KRWDZBQOSA-N -1 3 384.270 3.313 20 0 GGADHM CC1=C(C)C[C@](C)(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC001575860224 949292442 /nfs/dbraw/zinc/29/24/42/949292442.db2.gz DPTAVPYJKAGLAO-OAQYLSRUSA-N -1 3 398.486 3.181 20 0 GGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576153869 949304287 /nfs/dbraw/zinc/30/42/87/949304287.db2.gz NDQFMCSSNYCBLP-VOJFVSQTSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576153869 949304305 /nfs/dbraw/zinc/30/43/05/949304305.db2.gz NDQFMCSSNYCBLP-VOJFVSQTSA-N -1 3 385.859 3.471 20 0 GGADHM CC1=C(C)C[C@@](C)(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CC1 ZINC001575861514 949326858 /nfs/dbraw/zinc/32/68/58/949326858.db2.gz SSNBODHYMORPLI-NRFANRHFSA-N -1 3 398.486 3.181 20 0 GGADHM CC1=C(C)C[C@@](C)(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CC1 ZINC001575861514 949326880 /nfs/dbraw/zinc/32/68/80/949326880.db2.gz SSNBODHYMORPLI-NRFANRHFSA-N -1 3 398.486 3.181 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001595227664 949328298 /nfs/dbraw/zinc/32/82/98/949328298.db2.gz NAJXCKUIVOWCBK-SFHVURJKSA-N -1 3 388.414 3.158 20 0 GGADHM CC1=NN(c2ccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)c(Cl)c3)cc2)CC1 ZINC001575863162 949346629 /nfs/dbraw/zinc/34/66/29/949346629.db2.gz ABRBXYXGGZIQQB-UHFFFAOYSA-N -1 3 395.854 3.383 20 0 GGADHM CC1=NN(c2ccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)c(Cl)c3)cc2)CC1 ZINC001575863162 949346650 /nfs/dbraw/zinc/34/66/50/949346650.db2.gz ABRBXYXGGZIQQB-UHFFFAOYSA-N -1 3 395.854 3.383 20 0 GGADHM CC1=NO[C@](C)(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC001575866573 949414935 /nfs/dbraw/zinc/41/49/35/949414935.db2.gz VJBFOIZSCHRVQO-QKKBWIMNSA-N -1 3 390.447 3.266 20 0 GGADHM CC1=NO[C@](C)(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC001575866573 949414952 /nfs/dbraw/zinc/41/49/52/949414952.db2.gz VJBFOIZSCHRVQO-QKKBWIMNSA-N -1 3 390.447 3.266 20 0 GGADHM C[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001576155658 949415271 /nfs/dbraw/zinc/41/52/71/949415271.db2.gz JTFWDSKREGAKCS-VHSXEESVSA-N -1 3 379.262 3.187 20 0 GGADHM C[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001576155658 949415287 /nfs/dbraw/zinc/41/52/87/949415287.db2.gz JTFWDSKREGAKCS-VHSXEESVSA-N -1 3 379.262 3.187 20 0 GGADHM CC1=NO[C@](C)(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC001575866579 949415622 /nfs/dbraw/zinc/41/56/22/949415622.db2.gz VJBFOIZSCHRVQO-SZNDQCEHSA-N -1 3 390.447 3.266 20 0 GGADHM CC1=NO[C@](C)(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC001575866579 949415639 /nfs/dbraw/zinc/41/56/39/949415639.db2.gz VJBFOIZSCHRVQO-SZNDQCEHSA-N -1 3 390.447 3.266 20 0 GGADHM CC(C)n1cnnc1-c1ccccc1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001574468496 949460627 /nfs/dbraw/zinc/46/06/27/949460627.db2.gz MIGKPVQGDVQMQE-UHFFFAOYSA-N -1 3 380.437 3.020 20 0 GGADHM CC(C)n1cnnc1-c1ccccc1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001574468496 949460640 /nfs/dbraw/zinc/46/06/40/949460640.db2.gz MIGKPVQGDVQMQE-UHFFFAOYSA-N -1 3 380.437 3.020 20 0 GGADHM CC(C)n1nccc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001574469485 949482730 /nfs/dbraw/zinc/48/27/30/949482730.db2.gz FOYVBMFKFVTQJP-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM CC(C)n1nccc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001574469485 949482747 /nfs/dbraw/zinc/48/27/47/949482747.db2.gz FOYVBMFKFVTQJP-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM CC(C)[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCC[C@H](C)C1 ZINC001576165923 949574477 /nfs/dbraw/zinc/57/44/77/949574477.db2.gz KKXLXSZYIOWTER-BLLLJJGKSA-N -1 3 377.489 3.381 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC001595257494 949631174 /nfs/dbraw/zinc/63/11/74/949631174.db2.gz JHJMDPZLHBOCRR-UHFFFAOYSA-N -1 3 376.840 3.355 20 0 GGADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001574481960 949817310 /nfs/dbraw/zinc/81/73/10/949817310.db2.gz XZRMCKUUFPGYAQ-JXFKEZNVSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001574481960 949817331 /nfs/dbraw/zinc/81/73/31/949817331.db2.gz XZRMCKUUFPGYAQ-JXFKEZNVSA-N -1 3 390.491 3.098 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573823475 949836883 /nfs/dbraw/zinc/83/68/83/949836883.db2.gz XLSXKKSTGPIYHJ-MOPGFXCFSA-N -1 3 390.491 3.421 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573823475 949836903 /nfs/dbraw/zinc/83/69/03/949836903.db2.gz XLSXKKSTGPIYHJ-MOPGFXCFSA-N -1 3 390.491 3.421 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573823477 949838379 /nfs/dbraw/zinc/83/83/79/949838379.db2.gz XLSXKKSTGPIYHJ-OALUTQOASA-N -1 3 390.491 3.421 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573823477 949838405 /nfs/dbraw/zinc/83/84/05/949838405.db2.gz XLSXKKSTGPIYHJ-OALUTQOASA-N -1 3 390.491 3.421 20 0 GGADHM C[C@H](CC(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1)CC(C)(C)C ZINC001574483725 949839593 /nfs/dbraw/zinc/83/95/93/949839593.db2.gz JYNGHHPEKWAFTJ-CYBMUJFWSA-N -1 3 376.530 3.039 20 0 GGADHM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001576177868 949867112 /nfs/dbraw/zinc/86/71/12/949867112.db2.gz CRFHAJHDRAXZCX-BZNIZROVSA-N -1 3 382.855 3.359 20 0 GGADHM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001576177869 949867248 /nfs/dbraw/zinc/86/72/48/949867248.db2.gz CRFHAJHDRAXZCX-MEDUHNTESA-N -1 3 382.855 3.359 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCC1(F)CCC1 ZINC001576178259 949880242 /nfs/dbraw/zinc/88/02/42/949880242.db2.gz GZXJANJYGXZBRN-AWEZNQCLSA-N -1 3 396.474 3.396 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCC1(F)CCC1 ZINC001576178259 949880259 /nfs/dbraw/zinc/88/02/59/949880259.db2.gz GZXJANJYGXZBRN-AWEZNQCLSA-N -1 3 396.474 3.396 20 0 GGADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574484927 949910441 /nfs/dbraw/zinc/91/04/41/949910441.db2.gz RYMYWPWVTDNLND-CRAIPNDOSA-N -1 3 397.527 3.271 20 0 GGADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574484927 949910448 /nfs/dbraw/zinc/91/04/48/949910448.db2.gz RYMYWPWVTDNLND-CRAIPNDOSA-N -1 3 397.527 3.271 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573827216 949913607 /nfs/dbraw/zinc/91/36/07/949913607.db2.gz KZLPSLORJCQALZ-WBMJQRKESA-N -1 3 395.504 3.137 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573827216 949913625 /nfs/dbraw/zinc/91/36/25/949913625.db2.gz KZLPSLORJCQALZ-WBMJQRKESA-N -1 3 395.504 3.137 20 0 GGADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001573829415 949957110 /nfs/dbraw/zinc/95/71/10/949957110.db2.gz YZOOBGOOTALVRD-SNVBAGLBSA-N -1 3 378.274 3.137 20 0 GGADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001573829415 949957130 /nfs/dbraw/zinc/95/71/30/949957130.db2.gz YZOOBGOOTALVRD-SNVBAGLBSA-N -1 3 378.274 3.137 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573829529 949961777 /nfs/dbraw/zinc/96/17/77/949961777.db2.gz ZYAIBLYHKINFJW-IRXDYDNUSA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573829529 949961793 /nfs/dbraw/zinc/96/17/93/949961793.db2.gz ZYAIBLYHKINFJW-IRXDYDNUSA-N -1 3 393.495 3.387 20 0 GGADHM O=C([O-])CCCCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000238151144 949995429 /nfs/dbraw/zinc/99/54/29/949995429.db2.gz YCIMHNBLEUBJFL-GOSISDBHSA-N -1 3 386.414 3.202 20 0 GGADHM C[C@@H](C(=O)[O-])N(Cc1ccc(I)cc1Cl)C1CC1 ZINC001602821425 971627100 /nfs/dbraw/zinc/62/71/00/971627100.db2.gz DPSUNEXDDHPPJY-QMMMGPOBSA-N -1 3 379.625 3.382 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1Cc1cccs1 ZINC001576182101 950031585 /nfs/dbraw/zinc/03/15/85/950031585.db2.gz YAQWJZZZXWXYAR-CYBMUJFWSA-N -1 3 392.492 3.224 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1Cc1cccs1 ZINC001576182101 950031611 /nfs/dbraw/zinc/03/16/11/950031611.db2.gz YAQWJZZZXWXYAR-CYBMUJFWSA-N -1 3 392.492 3.224 20 0 GGADHM C[C@@H](CN(C)C(=O)OC(C)(C)C)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001574730563 950033051 /nfs/dbraw/zinc/03/30/51/950033051.db2.gz AATSZRHTWGUJEN-JTQLQIEISA-N -1 3 389.485 3.144 20 0 GGADHM C[C@@H](CN(C)C(=O)OC(C)(C)C)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001574730563 950033056 /nfs/dbraw/zinc/03/30/56/950033056.db2.gz AATSZRHTWGUJEN-JTQLQIEISA-N -1 3 389.485 3.144 20 0 GGADHM CC(C)(C)CC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001573842645 950152631 /nfs/dbraw/zinc/15/26/31/950152631.db2.gz JPPNUZHUACEZPN-LBPRGKRZSA-N -1 3 393.513 3.195 20 0 GGADHM CC(C)(C)CC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001573842645 950152641 /nfs/dbraw/zinc/15/26/41/950152641.db2.gz JPPNUZHUACEZPN-LBPRGKRZSA-N -1 3 393.513 3.195 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)C(F)(F)F ZINC001573843033 950164198 /nfs/dbraw/zinc/16/41/98/950164198.db2.gz PEQCFEQYWMXFMJ-KBPBESRZSA-N -1 3 396.417 3.000 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)C(F)(F)F ZINC001573843033 950164205 /nfs/dbraw/zinc/16/42/05/950164205.db2.gz PEQCFEQYWMXFMJ-KBPBESRZSA-N -1 3 396.417 3.000 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC001576190693 950166893 /nfs/dbraw/zinc/16/68/93/950166893.db2.gz DEMDUPXBCQBRFI-AWEZNQCLSA-N -1 3 395.488 3.269 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC001576190693 950166904 /nfs/dbraw/zinc/16/69/04/950166904.db2.gz DEMDUPXBCQBRFI-AWEZNQCLSA-N -1 3 395.488 3.269 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC001576190694 950167412 /nfs/dbraw/zinc/16/74/12/950167412.db2.gz DEMDUPXBCQBRFI-CQSZACIVSA-N -1 3 395.488 3.269 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC001576190694 950167424 /nfs/dbraw/zinc/16/74/24/950167424.db2.gz DEMDUPXBCQBRFI-CQSZACIVSA-N -1 3 395.488 3.269 20 0 GGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573844644 950200783 /nfs/dbraw/zinc/20/07/83/950200783.db2.gz CYOPWIJQLWYQMN-DOTOQJQBSA-N -1 3 383.496 3.061 20 0 GGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573844644 950200796 /nfs/dbraw/zinc/20/07/96/950200796.db2.gz CYOPWIJQLWYQMN-DOTOQJQBSA-N -1 3 383.496 3.061 20 0 GGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001573845770 950239233 /nfs/dbraw/zinc/23/92/33/950239233.db2.gz LJGFLQWBLTWOSM-WMLDXEAASA-N -1 3 382.512 3.342 20 0 GGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001573845770 950239247 /nfs/dbraw/zinc/23/92/47/950239247.db2.gz LJGFLQWBLTWOSM-WMLDXEAASA-N -1 3 382.512 3.342 20 0 GGADHM CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573850075 950268189 /nfs/dbraw/zinc/26/81/89/950268189.db2.gz FODBOXVZAFVWCZ-HNNXBMFYSA-N -1 3 389.431 3.092 20 0 GGADHM CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573850075 950268208 /nfs/dbraw/zinc/26/82/08/950268208.db2.gz FODBOXVZAFVWCZ-HNNXBMFYSA-N -1 3 389.431 3.092 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)[C@@H]1c1ccccc1 ZINC001576192903 950269784 /nfs/dbraw/zinc/26/97/84/950269784.db2.gz RFJQIJVSSRUEBN-UGSOOPFHSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@@H]1c1ccccc1 ZINC001576192903 950269806 /nfs/dbraw/zinc/26/98/06/950269806.db2.gz RFJQIJVSSRUEBN-UGSOOPFHSA-N -1 3 380.427 3.299 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573850077 950271092 /nfs/dbraw/zinc/27/10/92/950271092.db2.gz FODBOXVZAFVWCZ-OAHLLOKOSA-N -1 3 389.431 3.092 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573850077 950271108 /nfs/dbraw/zinc/27/11/08/950271108.db2.gz FODBOXVZAFVWCZ-OAHLLOKOSA-N -1 3 389.431 3.092 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573850789 950280950 /nfs/dbraw/zinc/28/09/50/950280950.db2.gz MLYMLHDWDGPKLK-ZDUSSCGKSA-N -1 3 375.448 3.344 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573850789 950280963 /nfs/dbraw/zinc/28/09/63/950280963.db2.gz MLYMLHDWDGPKLK-ZDUSSCGKSA-N -1 3 375.448 3.344 20 0 GGADHM CC(C)(C)OC(=O)CCCNc1c(Br)cccc1-c1nnn[n-]1 ZINC001573850935 950284925 /nfs/dbraw/zinc/28/49/25/950284925.db2.gz QECUPJFKWRZZDX-UHFFFAOYSA-N -1 3 382.262 3.163 20 0 GGADHM CC(C)(C)OC(=O)CCCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001573850935 950284943 /nfs/dbraw/zinc/28/49/43/950284943.db2.gz QECUPJFKWRZZDX-UHFFFAOYSA-N -1 3 382.262 3.163 20 0 GGADHM CC(C)(C)OC(=O)C1(NC(=O)c2cccc(-c3nnn[n-]3)c2)CCCCCC1 ZINC001573851386 950291732 /nfs/dbraw/zinc/29/17/32/950291732.db2.gz WYUMTEOYNVSQML-UHFFFAOYSA-N -1 3 385.468 3.031 20 0 GGADHM CC(C)(C)OC(=O)C1(NC(=O)c2cccc(-c3nn[n-]n3)c2)CCCCCC1 ZINC001573851386 950291750 /nfs/dbraw/zinc/29/17/50/950291750.db2.gz WYUMTEOYNVSQML-UHFFFAOYSA-N -1 3 385.468 3.031 20 0 GGADHM CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC001573851365 950292239 /nfs/dbraw/zinc/29/22/39/950292239.db2.gz WDWURAPBOSNIFN-ZDUSSCGKSA-N -1 3 393.875 3.463 20 0 GGADHM CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC001573851365 950292260 /nfs/dbraw/zinc/29/22/60/950292260.db2.gz WDWURAPBOSNIFN-ZDUSSCGKSA-N -1 3 393.875 3.463 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573851922 950296283 /nfs/dbraw/zinc/29/62/83/950296283.db2.gz ARDKHTTYJHLWMA-MRXNPFEDSA-N -1 3 384.484 3.019 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCCc3c(-c4nnn[n-]4)cccc32)C1 ZINC001573852822 950313598 /nfs/dbraw/zinc/31/35/98/950313598.db2.gz JNNYHTTURVOCHI-HNNXBMFYSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCCc3c(-c4nn[n-]n4)cccc32)C1 ZINC001573852822 950313621 /nfs/dbraw/zinc/31/36/21/950313621.db2.gz JNNYHTTURVOCHI-HNNXBMFYSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001573853665 950326908 /nfs/dbraw/zinc/32/69/08/950326908.db2.gz RYXREABKBOXYHJ-HNNXBMFYSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](CN2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001573853666 950328076 /nfs/dbraw/zinc/32/80/76/950328076.db2.gz RYXREABKBOXYHJ-OAHLLOKOSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573855218 950360581 /nfs/dbraw/zinc/36/05/81/950360581.db2.gz MBWDBMXHFHIJHN-DOTOQJQBSA-N -1 3 394.483 3.058 20 0 GGADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573855218 950360605 /nfs/dbraw/zinc/36/06/05/950360605.db2.gz MBWDBMXHFHIJHN-DOTOQJQBSA-N -1 3 394.483 3.058 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CN3C[C@H](C)C[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000263365089 950405181 /nfs/dbraw/zinc/40/51/81/950405181.db2.gz SWNHFJCGLJNCQP-WIYYLYMNSA-N -1 3 386.536 3.209 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000263367651 950408830 /nfs/dbraw/zinc/40/88/30/950408830.db2.gz UIEYRSQXISAHNH-ALKREAHSSA-N -1 3 398.425 3.010 20 0 GGADHM CSc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000263373554 950414965 /nfs/dbraw/zinc/41/49/65/950414965.db2.gz NTFWENSBZKNVOB-SFHVURJKSA-N -1 3 387.505 3.209 20 0 GGADHM CC(C)C[C@H](NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001574163428 950425802 /nfs/dbraw/zinc/42/58/02/950425802.db2.gz UQMIOXOGLJASLH-IBGZPJMESA-N -1 3 378.480 3.496 20 0 GGADHM CC(C)C[C@H](NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001574163428 950425825 /nfs/dbraw/zinc/42/58/25/950425825.db2.gz UQMIOXOGLJASLH-IBGZPJMESA-N -1 3 378.480 3.496 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573861847 950453340 /nfs/dbraw/zinc/45/33/40/950453340.db2.gz JHRPRSOWYJNADU-NWDGAFQWSA-N -1 3 376.436 3.111 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573861847 950453353 /nfs/dbraw/zinc/45/33/53/950453353.db2.gz JHRPRSOWYJNADU-NWDGAFQWSA-N -1 3 376.436 3.111 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(CN2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001573863558 950481580 /nfs/dbraw/zinc/48/15/80/950481580.db2.gz LRSFHROLQAPKTD-UHFFFAOYSA-N -1 3 377.448 3.338 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001573863558 950481593 /nfs/dbraw/zinc/48/15/93/950481593.db2.gz LRSFHROLQAPKTD-UHFFFAOYSA-N -1 3 377.448 3.338 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263483181 950485113 /nfs/dbraw/zinc/48/51/13/950485113.db2.gz ONNKRSMPUHNZLI-QGZVFWFLSA-N -1 3 381.476 3.191 20 0 GGADHM CC(C)CC1(CNC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CCCC1 ZINC001574167737 950489134 /nfs/dbraw/zinc/48/91/34/950489134.db2.gz HVFCVWNIHHTEQD-SFHVURJKSA-N -1 3 382.512 3.240 20 0 GGADHM CC(C)CC1(CNC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CCCC1 ZINC001574167737 950489141 /nfs/dbraw/zinc/48/91/41/950489141.db2.gz HVFCVWNIHHTEQD-SFHVURJKSA-N -1 3 382.512 3.240 20 0 GGADHM CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000263504164 950497181 /nfs/dbraw/zinc/49/71/81/950497181.db2.gz WMNTZOYNOFXHNM-HXUWFJFHSA-N -1 3 381.476 3.191 20 0 GGADHM C[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCOc2ccccc21 ZINC001575614561 950540003 /nfs/dbraw/zinc/54/00/03/950540003.db2.gz IEHHTZYTRCSECC-NRFANRHFSA-N -1 3 386.415 3.094 20 0 GGADHM C[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCOc2ccccc21 ZINC001575614561 950540023 /nfs/dbraw/zinc/54/00/23/950540023.db2.gz IEHHTZYTRCSECC-NRFANRHFSA-N -1 3 386.415 3.094 20 0 GGADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001574997429 950544171 /nfs/dbraw/zinc/54/41/71/950544171.db2.gz UWHSYEXEISPRSL-ZDUSSCGKSA-N -1 3 383.427 3.327 20 0 GGADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001574997429 950544186 /nfs/dbraw/zinc/54/41/86/950544186.db2.gz UWHSYEXEISPRSL-ZDUSSCGKSA-N -1 3 383.427 3.327 20 0 GGADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001575622617 950644643 /nfs/dbraw/zinc/64/46/43/950644643.db2.gz FIIISISXSJSNTR-SFHVURJKSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001575622617 950644655 /nfs/dbraw/zinc/64/46/55/950644655.db2.gz FIIISISXSJSNTR-SFHVURJKSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC001576213807 950649953 /nfs/dbraw/zinc/64/99/53/950649953.db2.gz IPINGDXTJLJSBY-LBPRGKRZSA-N -1 3 382.855 3.472 20 0 GGADHM C[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC001576213807 950649967 /nfs/dbraw/zinc/64/99/67/950649967.db2.gz IPINGDXTJLJSBY-LBPRGKRZSA-N -1 3 382.855 3.472 20 0 GGADHM CC(C)C1(Cn2c(-c3ccc(-c4nnn[n-]4)cc3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001576213822 950652591 /nfs/dbraw/zinc/65/25/91/950652591.db2.gz IYAJCHQMQPQJID-OAHLLOKOSA-N -1 3 392.511 3.408 20 0 GGADHM CC(C)C1(Cn2c(-c3ccc(-c4nn[n-]n4)cc3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001576213822 950652595 /nfs/dbraw/zinc/65/25/95/950652595.db2.gz IYAJCHQMQPQJID-OAHLLOKOSA-N -1 3 392.511 3.408 20 0 GGADHM CC(C)(C)OC[C@H]1CCCN1c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001573873688 950653447 /nfs/dbraw/zinc/65/34/47/950653447.db2.gz YGINVYQHZZMAHO-OAHLLOKOSA-N -1 3 395.467 3.233 20 0 GGADHM CC(C)(C)OC[C@H]1CCCN1c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001573873688 950653455 /nfs/dbraw/zinc/65/34/55/950653455.db2.gz YGINVYQHZZMAHO-OAHLLOKOSA-N -1 3 395.467 3.233 20 0 GGADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001575623855 950656209 /nfs/dbraw/zinc/65/62/09/950656209.db2.gz KYMDNESNCNENGO-ZWKOTPCHSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001575623855 950656227 /nfs/dbraw/zinc/65/62/27/950656227.db2.gz KYMDNESNCNENGO-ZWKOTPCHSA-N -1 3 395.438 3.120 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccnn2CC2CCC2)cc1-c1nnn[n-]1 ZINC001573876067 950657770 /nfs/dbraw/zinc/65/77/70/950657770.db2.gz CHNVXPCVDBPBKO-UHFFFAOYSA-N -1 3 395.467 3.293 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccnn2CC2CCC2)cc1-c1nn[n-]n1 ZINC001573876067 950657786 /nfs/dbraw/zinc/65/77/86/950657786.db2.gz CHNVXPCVDBPBKO-UHFFFAOYSA-N -1 3 395.467 3.293 20 0 GGADHM CC1(C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C[C@@H]1OCc1ccccc1 ZINC001575623849 950658423 /nfs/dbraw/zinc/65/84/23/950658423.db2.gz KYMDNESNCNENGO-MSOLQXFVSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1OCc1ccccc1 ZINC001575623849 950658440 /nfs/dbraw/zinc/65/84/40/950658440.db2.gz KYMDNESNCNENGO-MSOLQXFVSA-N -1 3 395.438 3.120 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NC[C@@]2(C)CCCS2)cc1-c1nnn[n-]1 ZINC001573876013 950659487 /nfs/dbraw/zinc/65/94/87/950659487.db2.gz BLKNBAYINSMVFH-GOSISDBHSA-N -1 3 390.513 3.451 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NC[C@@]2(C)CCCS2)cc1-c1nn[n-]n1 ZINC001573876013 950659500 /nfs/dbraw/zinc/65/95/00/950659500.db2.gz BLKNBAYINSMVFH-GOSISDBHSA-N -1 3 390.513 3.451 20 0 GGADHM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001574519103 950669995 /nfs/dbraw/zinc/66/99/95/950669995.db2.gz BAPRQONYZIMNLA-JTQLQIEISA-N -1 3 387.802 3.051 20 0 GGADHM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001574519103 950670004 /nfs/dbraw/zinc/67/00/04/950670004.db2.gz BAPRQONYZIMNLA-JTQLQIEISA-N -1 3 387.802 3.051 20 0 GGADHM C[C@@H]1CCc2c(sc3ncnc(NCc4cncc(-c5nnn[n-]5)c4)c23)C1 ZINC001576214417 950670457 /nfs/dbraw/zinc/67/04/57/950670457.db2.gz ADBXFAIMFUQESV-SNVBAGLBSA-N -1 3 378.465 3.003 20 0 GGADHM C[C@@H]1CCc2c(sc3ncnc(NCc4cncc(-c5nn[n-]n5)c4)c23)C1 ZINC001576214417 950670468 /nfs/dbraw/zinc/67/04/68/950670468.db2.gz ADBXFAIMFUQESV-SNVBAGLBSA-N -1 3 378.465 3.003 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cccc3c2OCC3)cc1-c1nnn[n-]1 ZINC001573876387 950673113 /nfs/dbraw/zinc/67/31/13/950673113.db2.gz NPGZSOUHNFAZRE-UHFFFAOYSA-N -1 3 379.420 3.231 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cccc3c2OCC3)cc1-c1nn[n-]n1 ZINC001573876387 950673120 /nfs/dbraw/zinc/67/31/20/950673120.db2.gz NPGZSOUHNFAZRE-UHFFFAOYSA-N -1 3 379.420 3.231 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)cc1-c1nnn[n-]1 ZINC001573876576 950678653 /nfs/dbraw/zinc/67/86/53/950678653.db2.gz RBQQXKBLENIAOP-GTJPDFRWSA-N -1 3 397.479 3.378 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)cc1-c1nn[n-]n1 ZINC001573876576 950678665 /nfs/dbraw/zinc/67/86/65/950678665.db2.gz RBQQXKBLENIAOP-GTJPDFRWSA-N -1 3 397.479 3.378 20 0 GGADHM CC(C)(C)Oc1cccc(NC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001573876782 950682706 /nfs/dbraw/zinc/68/27/06/950682706.db2.gz VZSVRQDTYWHXFL-QGZVFWFLSA-N -1 3 392.463 3.333 20 0 GGADHM CC(C)(C)Oc1cccc(NC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001573876782 950682720 /nfs/dbraw/zinc/68/27/20/950682720.db2.gz VZSVRQDTYWHXFL-QGZVFWFLSA-N -1 3 392.463 3.333 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2c3nc[nH]c3ccc2F)cc1-c1nnn[n-]1 ZINC001573876979 950687510 /nfs/dbraw/zinc/68/75/10/950687510.db2.gz ZFVVPCCIPUOHFH-UHFFFAOYSA-N -1 3 395.398 3.312 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2c3nc[nH]c3ccc2F)cc1-c1nn[n-]n1 ZINC001573876979 950687529 /nfs/dbraw/zinc/68/75/29/950687529.db2.gz ZFVVPCCIPUOHFH-UHFFFAOYSA-N -1 3 395.398 3.312 20 0 GGADHM C[C@@H]1CCn2cc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCCC4)nc2C1 ZINC001576216307 950728599 /nfs/dbraw/zinc/72/85/99/950728599.db2.gz HSJKFBHXKMPGRN-LLVKDONJSA-N -1 3 397.508 3.228 20 0 GGADHM C[C@@H]1CCn2cc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCCC4)nc2C1 ZINC001576216307 950728615 /nfs/dbraw/zinc/72/86/15/950728615.db2.gz HSJKFBHXKMPGRN-LLVKDONJSA-N -1 3 397.508 3.228 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574520479 950733494 /nfs/dbraw/zinc/73/34/94/950733494.db2.gz SPTYGIQPLRJKNW-VIFPVBQESA-N -1 3 381.314 3.491 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574520479 950733506 /nfs/dbraw/zinc/73/35/06/950733506.db2.gz SPTYGIQPLRJKNW-VIFPVBQESA-N -1 3 381.314 3.491 20 0 GGADHM C[C@H](CC(C)(C)C)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001574520582 950740210 /nfs/dbraw/zinc/74/02/10/950740210.db2.gz VBVJTLAGXOZDAD-CYBMUJFWSA-N -1 3 376.530 3.224 20 0 GGADHM C[C@H](CC(C)(C)C)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001574520582 950740230 /nfs/dbraw/zinc/74/02/30/950740230.db2.gz VBVJTLAGXOZDAD-CYBMUJFWSA-N -1 3 376.530 3.224 20 0 GGADHM CC(C)(C)c1cc(C(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)no1 ZINC001573880375 950744853 /nfs/dbraw/zinc/74/48/53/950744853.db2.gz XLUWHCLLVCXIBS-ZDUSSCGKSA-N -1 3 394.357 3.186 20 0 GGADHM CC(C)(C)c1cc(C(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)no1 ZINC001573880375 950744867 /nfs/dbraw/zinc/74/48/67/950744867.db2.gz XLUWHCLLVCXIBS-ZDUSSCGKSA-N -1 3 394.357 3.186 20 0 GGADHM CC(C)(C)c1cc(NC(=O)c2ccsn2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573881283 950748594 /nfs/dbraw/zinc/74/85/94/950748594.db2.gz CEOSZBURTJOBOG-UHFFFAOYSA-N -1 3 394.464 3.059 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)C[C@]3(C)CC3(Cl)Cl)c(-c3nnn[n-]3)cc2C1 ZINC001576217351 950759314 /nfs/dbraw/zinc/75/93/14/950759314.db2.gz NCSJMADAWNHDTG-JDNHERCYSA-N -1 3 395.294 3.299 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)C[C@]3(C)CC3(Cl)Cl)c(-c3nn[n-]n3)cc2C1 ZINC001576217351 950759324 /nfs/dbraw/zinc/75/93/24/950759324.db2.gz NCSJMADAWNHDTG-JDNHERCYSA-N -1 3 395.294 3.299 20 0 GGADHM CC(C)(C)c1ccc(OS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)cc1 ZINC001573882007 950764937 /nfs/dbraw/zinc/76/49/37/950764937.db2.gz NLBVUKOHGWKRTI-UHFFFAOYSA-N -1 3 378.479 3.135 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2c(F)cccc2-n2cccn2)n1 ZINC001573882010 950765648 /nfs/dbraw/zinc/76/56/48/950765648.db2.gz NPJIJOQNMMVHAP-UHFFFAOYSA-N -1 3 392.442 3.496 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2c(F)cccc2-n2cccn2)n1 ZINC001573882010 950765667 /nfs/dbraw/zinc/76/56/67/950765667.db2.gz NPJIJOQNMMVHAP-UHFFFAOYSA-N -1 3 392.442 3.496 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)CCc3cccc(F)c3F)c(-c3nnn[n-]3)cc2C1 ZINC001576217689 950770622 /nfs/dbraw/zinc/77/06/22/950770622.db2.gz NRSNEIWTJQWCSY-NSHDSACASA-N -1 3 398.417 3.236 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)CCc3cccc(F)c3F)c(-c3nn[n-]n3)cc2C1 ZINC001576217689 950770637 /nfs/dbraw/zinc/77/06/37/950770637.db2.gz NRSNEIWTJQWCSY-NSHDSACASA-N -1 3 398.417 3.236 20 0 GGADHM CC(C)(C)c1ccc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001573882313 950776041 /nfs/dbraw/zinc/77/60/41/950776041.db2.gz ZBMBOWYLJIDBKO-QGZVFWFLSA-N -1 3 394.479 3.042 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)c3ncc4n3CCCC4)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576217964 950777533 /nfs/dbraw/zinc/77/75/33/950777533.db2.gz PQTWDFHCJSDTTD-MNOVXSKESA-N -1 3 397.508 3.399 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)c3ncc4n3CCCC4)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576217964 950777546 /nfs/dbraw/zinc/77/75/46/950777546.db2.gz PQTWDFHCJSDTTD-MNOVXSKESA-N -1 3 397.508 3.399 20 0 GGADHM CCOC(=O)[C@H](CCc1ccccc1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001590128779 950788968 /nfs/dbraw/zinc/78/89/68/950788968.db2.gz AVVVYBHUUZNMPS-HBMCJLEFSA-N -1 3 381.472 3.351 20 0 GGADHM CC(C)CC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001574185324 950797089 /nfs/dbraw/zinc/79/70/89/950797089.db2.gz YHAUNRODXGCARM-CQSZACIVSA-N -1 3 397.932 3.500 20 0 GGADHM CC(C)CC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001574185324 950797100 /nfs/dbraw/zinc/79/71/00/950797100.db2.gz YHAUNRODXGCARM-CQSZACIVSA-N -1 3 397.932 3.500 20 0 GGADHM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001574185315 950800208 /nfs/dbraw/zinc/80/02/08/950800208.db2.gz YHAUNRODXGCARM-AWEZNQCLSA-N -1 3 397.932 3.500 20 0 GGADHM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001574185315 950800231 /nfs/dbraw/zinc/80/02/31/950800231.db2.gz YHAUNRODXGCARM-AWEZNQCLSA-N -1 3 397.932 3.500 20 0 GGADHM CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCOC2(C)C)c1-c1nnn[n-]1 ZINC001573885021 950810053 /nfs/dbraw/zinc/81/00/53/950810053.db2.gz QNIMXVIBLMGZCM-JTQLQIEISA-N -1 3 378.502 3.162 20 0 GGADHM CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCOC2(C)C)c1-c1nn[n-]n1 ZINC001573885021 950810071 /nfs/dbraw/zinc/81/00/71/950810071.db2.gz QNIMXVIBLMGZCM-JTQLQIEISA-N -1 3 378.502 3.162 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4O3)c2-c2nnn[n-]2)C1 ZINC001576219847 950812404 /nfs/dbraw/zinc/81/24/04/950812404.db2.gz VOGVQPVNFFVFHA-NHYWBVRUSA-N -1 3 395.488 3.385 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4O3)c2-c2nn[n-]n2)C1 ZINC001576219847 950812427 /nfs/dbraw/zinc/81/24/27/950812427.db2.gz VOGVQPVNFFVFHA-NHYWBVRUSA-N -1 3 395.488 3.385 20 0 GGADHM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573885458 950828698 /nfs/dbraw/zinc/82/86/98/950828698.db2.gz XOEFNHCPUHQKQO-UHFFFAOYSA-N -1 3 383.427 3.112 20 0 GGADHM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573885458 950828722 /nfs/dbraw/zinc/82/87/22/950828722.db2.gz XOEFNHCPUHQKQO-UHFFFAOYSA-N -1 3 383.427 3.112 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(NC4CC4)nc3)c2-c2nnn[n-]2)C1 ZINC001576220981 950844323 /nfs/dbraw/zinc/84/43/23/950844323.db2.gz YOQNNUBTAXIIEF-SNVBAGLBSA-N -1 3 395.492 3.275 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(NC4CC4)nc3)c2-c2nn[n-]n2)C1 ZINC001576220981 950844346 /nfs/dbraw/zinc/84/43/46/950844346.db2.gz YOQNNUBTAXIIEF-SNVBAGLBSA-N -1 3 395.492 3.275 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001573888196 950863882 /nfs/dbraw/zinc/86/38/82/950863882.db2.gz RTWFXCQXEBNLPW-HOCLYGCPSA-N -1 3 383.500 3.466 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001573888196 950863896 /nfs/dbraw/zinc/86/38/96/950863896.db2.gz RTWFXCQXEBNLPW-HOCLYGCPSA-N -1 3 383.500 3.466 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575937099 950934649 /nfs/dbraw/zinc/93/46/49/950934649.db2.gz CIYGSXROIJCXES-DGCLKSJQSA-N -1 3 385.269 3.407 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575937099 950934664 /nfs/dbraw/zinc/93/46/64/950934664.db2.gz CIYGSXROIJCXES-DGCLKSJQSA-N -1 3 385.269 3.407 20 0 GGADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575937090 950936000 /nfs/dbraw/zinc/93/60/00/950936000.db2.gz CIYGSXROIJCXES-AAEUAGOBSA-N -1 3 385.269 3.407 20 0 GGADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575937090 950936018 /nfs/dbraw/zinc/93/60/18/950936018.db2.gz CIYGSXROIJCXES-AAEUAGOBSA-N -1 3 385.269 3.407 20 0 GGADHM CC1(C)C[C@]1(C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001575642722 950951174 /nfs/dbraw/zinc/95/11/74/950951174.db2.gz WFWPEWKILMZBEU-NRFANRHFSA-N -1 3 377.448 3.364 20 0 GGADHM CC1(C)C[C@]1(C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001575642722 950951191 /nfs/dbraw/zinc/95/11/91/950951191.db2.gz WFWPEWKILMZBEU-NRFANRHFSA-N -1 3 377.448 3.364 20 0 GGADHM O=C([O-])c1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(F)cc1F ZINC000380536646 971705045 /nfs/dbraw/zinc/70/50/45/971705045.db2.gz VDGUFVPULJWERG-CYBMUJFWSA-N -1 3 375.375 3.059 20 0 GGADHM C[C@H](CNC(=O)c1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC001575017143 950977448 /nfs/dbraw/zinc/97/74/48/950977448.db2.gz AQQABNDLXVIUPS-LLVKDONJSA-N -1 3 386.253 3.163 20 0 GGADHM C[C@H](CNC(=O)c1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC001575017143 950977466 /nfs/dbraw/zinc/97/74/66/950977466.db2.gz AQQABNDLXVIUPS-LLVKDONJSA-N -1 3 386.253 3.163 20 0 GGADHM CC(C)CCCCCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001574195609 951004588 /nfs/dbraw/zinc/00/45/88/951004588.db2.gz UUCRFVMPAVZNGJ-UHFFFAOYSA-N -1 3 388.491 3.261 20 0 GGADHM CC(C)CCCCCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001574195609 951004608 /nfs/dbraw/zinc/00/46/08/951004608.db2.gz UUCRFVMPAVZNGJ-UHFFFAOYSA-N -1 3 388.491 3.261 20 0 GGADHM O=C([O-])C[C@H]1CCCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC001594992847 951047661 /nfs/dbraw/zinc/04/76/61/951047661.db2.gz BZOQNACGFMMYIA-GCJKJVERSA-N -1 3 392.499 3.347 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(CC)C(CC)CC)c(C(=O)[O-])c1C ZINC001591426731 951140896 /nfs/dbraw/zinc/14/08/96/951140896.db2.gz VRUICWBRQULCDI-UHFFFAOYSA-N -1 3 384.498 3.380 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1C ZINC001591427098 951142537 /nfs/dbraw/zinc/14/25/37/951142537.db2.gz ZWHQFKCFOYUJNO-AAEUAGOBSA-N -1 3 396.509 3.380 20 0 GGADHM CC(C)C[C@@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000379607528 951169140 /nfs/dbraw/zinc/16/91/40/951169140.db2.gz FGEVNQCQTBIGTB-RBUKOAKNSA-N -1 3 375.513 3.087 20 0 GGADHM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001595008974 951239197 /nfs/dbraw/zinc/23/91/97/951239197.db2.gz ZFZZXVDLEDMBRC-QZTJIDSGSA-N -1 3 394.462 3.390 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001595013150 951277168 /nfs/dbraw/zinc/27/71/68/951277168.db2.gz YXELXZXJNBACQK-QZTJIDSGSA-N -1 3 394.462 3.247 20 0 GGADHM CCOc1c(Cl)cccc1CN1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001592009669 951293157 /nfs/dbraw/zinc/29/31/57/951293157.db2.gz UZBZCKOONSMWCK-GJZGRUSLSA-N -1 3 377.872 3.163 20 0 GGADHM O=C([O-])CCc1cccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC001595066048 951545160 /nfs/dbraw/zinc/54/51/60/951545160.db2.gz BSENPNCJFNNDLF-UHFFFAOYSA-N -1 3 396.491 3.133 20 0 GGADHM O=C([O-])CN1CC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCCCC2)C1=O ZINC001595079784 951669404 /nfs/dbraw/zinc/66/94/04/951669404.db2.gz SETVAMONANXWDS-HNNXBMFYSA-N -1 3 384.398 3.140 20 0 GGADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21)CC(F)(F)F ZINC001575116570 951972626 /nfs/dbraw/zinc/97/26/26/951972626.db2.gz FHGGYHVYMNSPMA-ZCFIWIBFSA-N -1 3 390.291 3.255 20 0 GGADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21)CC(F)(F)F ZINC001575116570 951972632 /nfs/dbraw/zinc/97/26/32/951972632.db2.gz FHGGYHVYMNSPMA-ZCFIWIBFSA-N -1 3 390.291 3.255 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCOc1ccccc1C(=O)[O-] ZINC001602889823 971797473 /nfs/dbraw/zinc/79/74/73/971797473.db2.gz SLZZUBTZAJMBFB-SJORKVTESA-N -1 3 390.480 3.237 20 0 GGADHM O=C([O-])Cc1cccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC001595132418 952043782 /nfs/dbraw/zinc/04/37/82/952043782.db2.gz ZRWDPNMHUOIKHX-UHFFFAOYSA-N -1 3 399.413 3.241 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC001595192247 952287894 /nfs/dbraw/zinc/28/78/94/952287894.db2.gz DJJANWOEXAYRGN-AWEZNQCLSA-N -1 3 395.440 3.442 20 0 GGADHM C[C@@H](COc1ccccc1F)Nc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575175792 952388850 /nfs/dbraw/zinc/38/88/50/952388850.db2.gz DOPSMIRITPTTJH-VIFPVBQESA-N -1 3 393.220 3.043 20 0 GGADHM C[C@@H](COc1ccccc1F)Nc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575175792 952388858 /nfs/dbraw/zinc/38/88/58/952388858.db2.gz DOPSMIRITPTTJH-VIFPVBQESA-N -1 3 393.220 3.043 20 0 GGADHM C[C@@H](COc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001575176560 952393534 /nfs/dbraw/zinc/39/35/34/952393534.db2.gz IMPPWHWHZZJBPX-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](COc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001575176560 952393540 /nfs/dbraw/zinc/39/35/40/952393540.db2.gz IMPPWHWHZZJBPX-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](COc1cccc(F)c1)Nc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575177302 952401087 /nfs/dbraw/zinc/40/10/87/952401087.db2.gz LFRIJCMAKQFCJC-VIFPVBQESA-N -1 3 393.220 3.043 20 0 GGADHM C[C@@H](COc1cccc(F)c1)Nc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575177302 952401091 /nfs/dbraw/zinc/40/10/91/952401091.db2.gz LFRIJCMAKQFCJC-VIFPVBQESA-N -1 3 393.220 3.043 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575177663 952402717 /nfs/dbraw/zinc/40/27/17/952402717.db2.gz MBTIWEJSTLNQTJ-JKSUJKDBSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575177663 952402720 /nfs/dbraw/zinc/40/27/20/952402720.db2.gz MBTIWEJSTLNQTJ-JKSUJKDBSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001575180295 952416635 /nfs/dbraw/zinc/41/66/35/952416635.db2.gz ZGOIUKZWYKWWIH-CYBMUJFWSA-N -1 3 382.468 3.063 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001575180295 952416639 /nfs/dbraw/zinc/41/66/39/952416639.db2.gz ZGOIUKZWYKWWIH-CYBMUJFWSA-N -1 3 382.468 3.063 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001575180299 952417064 /nfs/dbraw/zinc/41/70/64/952417064.db2.gz ZGOIUKZWYKWWIH-ZDUSSCGKSA-N -1 3 382.468 3.063 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001575180299 952417066 /nfs/dbraw/zinc/41/70/66/952417066.db2.gz ZGOIUKZWYKWWIH-ZDUSSCGKSA-N -1 3 382.468 3.063 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC001575187304 952439897 /nfs/dbraw/zinc/43/98/97/952439897.db2.gz ANQUQLHPIJQWBK-GFCCVEGCSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC001575187304 952439900 /nfs/dbraw/zinc/43/99/00/952439900.db2.gz ANQUQLHPIJQWBK-GFCCVEGCSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC001575187323 952440094 /nfs/dbraw/zinc/44/00/94/952440094.db2.gz BKDSAFNYBJNUIM-CQSZACIVSA-N -1 3 387.447 3.085 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC001575187323 952440097 /nfs/dbraw/zinc/44/00/97/952440097.db2.gz BKDSAFNYBJNUIM-CQSZACIVSA-N -1 3 387.447 3.085 20 0 GGADHM C[C@H](Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001575188636 952450232 /nfs/dbraw/zinc/45/02/32/952450232.db2.gz KIRMYYSISPHQRQ-OAHLLOKOSA-N -1 3 384.443 3.290 20 0 GGADHM C[C@H](Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001575188636 952450239 /nfs/dbraw/zinc/45/02/39/952450239.db2.gz KIRMYYSISPHQRQ-OAHLLOKOSA-N -1 3 384.443 3.290 20 0 GGADHM C[C@](Cc1ccccc1)(NC(=O)NCc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001575189035 952452357 /nfs/dbraw/zinc/45/23/57/952452357.db2.gz MTTOVQDVCVDIMU-LJQANCHMSA-N -1 3 382.493 3.139 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC001575189271 952453914 /nfs/dbraw/zinc/45/39/14/952453914.db2.gz NIHWSJGNFFTOEE-HUUCEWRRSA-N -1 3 375.476 3.411 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC001575189271 952453916 /nfs/dbraw/zinc/45/39/16/952453916.db2.gz NIHWSJGNFFTOEE-HUUCEWRRSA-N -1 3 375.476 3.411 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC001575189284 952454166 /nfs/dbraw/zinc/45/41/66/952454166.db2.gz NPDVCJSNFPNOMK-SNVBAGLBSA-N -1 3 391.353 3.425 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC001575189284 952454172 /nfs/dbraw/zinc/45/41/72/952454172.db2.gz NPDVCJSNFPNOMK-SNVBAGLBSA-N -1 3 391.353 3.425 20 0 GGADHM C[C@](Cc1ccccc1)(NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001575189457 952457885 /nfs/dbraw/zinc/45/78/85/952457885.db2.gz PAEQPJRPUJEVNR-JOCHJYFZSA-N -1 3 384.443 3.150 20 0 GGADHM C[C@](Cc1ccccc1)(NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001575189457 952457890 /nfs/dbraw/zinc/45/78/90/952457890.db2.gz PAEQPJRPUJEVNR-JOCHJYFZSA-N -1 3 384.443 3.150 20 0 GGADHM C[C@@H](Cc1cccc(F)c1)N(C)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001575189764 952458800 /nfs/dbraw/zinc/45/88/00/952458800.db2.gz QDKNHTDJYBXFEE-JTQLQIEISA-N -1 3 391.248 3.231 20 0 GGADHM C[C@@H](Cc1cccc(F)c1)N(C)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001575189764 952458804 /nfs/dbraw/zinc/45/88/04/952458804.db2.gz QDKNHTDJYBXFEE-JTQLQIEISA-N -1 3 391.248 3.231 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC001575190597 952463675 /nfs/dbraw/zinc/46/36/75/952463675.db2.gz TZZSPKFVVSDMNA-AWEZNQCLSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC001575190597 952463681 /nfs/dbraw/zinc/46/36/81/952463681.db2.gz TZZSPKFVVSDMNA-AWEZNQCLSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001575190997 952465332 /nfs/dbraw/zinc/46/53/32/952465332.db2.gz VISDCHZRGDNQFO-MRXNPFEDSA-N -1 3 398.470 3.424 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001575190997 952465334 /nfs/dbraw/zinc/46/53/34/952465334.db2.gz VISDCHZRGDNQFO-MRXNPFEDSA-N -1 3 398.470 3.424 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001575191756 952468383 /nfs/dbraw/zinc/46/83/83/952468383.db2.gz ZBJXIYDEBOEBPB-LBPRGKRZSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001575191756 952468386 /nfs/dbraw/zinc/46/83/86/952468386.db2.gz ZBJXIYDEBOEBPB-LBPRGKRZSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@H](Cc1cccs1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001575201086 952500282 /nfs/dbraw/zinc/50/02/82/952500282.db2.gz GYMLESIULIQETG-SECBINFHSA-N -1 3 378.408 3.301 20 0 GGADHM C[C@H](Cc1cccs1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001575201086 952500286 /nfs/dbraw/zinc/50/02/86/952500286.db2.gz GYMLESIULIQETG-SECBINFHSA-N -1 3 378.408 3.301 20 0 GGADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001575203365 952521420 /nfs/dbraw/zinc/52/14/20/952521420.db2.gz UXHMJMULAGSGLY-NSHDSACASA-N -1 3 393.838 3.281 20 0 GGADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001575203365 952521422 /nfs/dbraw/zinc/52/14/22/952521422.db2.gz UXHMJMULAGSGLY-NSHDSACASA-N -1 3 393.838 3.281 20 0 GGADHM C[C@H](Cc1cccs1)N(C)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575203558 952524210 /nfs/dbraw/zinc/52/42/10/952524210.db2.gz ZWBSGCKTZGYHRM-PXAZEXFGSA-N -1 3 382.493 3.188 20 0 GGADHM C[C@H](Cc1cccs1)N(C)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575203558 952524211 /nfs/dbraw/zinc/52/42/11/952524211.db2.gz ZWBSGCKTZGYHRM-PXAZEXFGSA-N -1 3 382.493 3.188 20 0 GGADHM C[C@@H](Cc1cccs1)N(C)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575203561 952525751 /nfs/dbraw/zinc/52/57/51/952525751.db2.gz ZWBSGCKTZGYHRM-YVEFUNNKSA-N -1 3 382.493 3.188 20 0 GGADHM C[C@@H](Cc1cccs1)N(C)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575203561 952525757 /nfs/dbraw/zinc/52/57/57/952525757.db2.gz ZWBSGCKTZGYHRM-YVEFUNNKSA-N -1 3 382.493 3.188 20 0 GGADHM CC(F)(F)C(C)(C)CNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001575214889 952566639 /nfs/dbraw/zinc/56/66/39/952566639.db2.gz OPZRDYZYQZGFBP-UHFFFAOYSA-N -1 3 386.328 3.347 20 0 GGADHM CC(F)(F)C(C)(C)CNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001575214889 952566640 /nfs/dbraw/zinc/56/66/40/952566640.db2.gz OPZRDYZYQZGFBP-UHFFFAOYSA-N -1 3 386.328 3.347 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])N(C)C)cc1 ZINC000424398294 953462836 /nfs/dbraw/zinc/46/28/36/953462836.db2.gz NMDVYYUEEHOXMV-DOTOQJQBSA-N -1 3 381.542 3.057 20 0 GGADHM CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000424423146 953479920 /nfs/dbraw/zinc/47/99/20/953479920.db2.gz HFABUZRTGDKAOF-SFHVURJKSA-N -1 3 375.513 3.183 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000426768524 953494756 /nfs/dbraw/zinc/49/47/56/953494756.db2.gz ZYVWDULHPWMNTC-QGZVFWFLSA-N -1 3 391.258 3.360 20 0 GGADHM CN(CCCC(=O)[O-])CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000430650414 953500606 /nfs/dbraw/zinc/50/06/06/953500606.db2.gz CSHMVYKFIOIFQS-IBGZPJMESA-N -1 3 393.487 3.213 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000533189493 953568405 /nfs/dbraw/zinc/56/84/05/953568405.db2.gz ADUGYNQHZYXYCQ-QFBILLFUSA-N -1 3 398.425 3.154 20 0 GGADHM O=C([O-])C[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000533189494 953569739 /nfs/dbraw/zinc/56/97/39/953569739.db2.gz ADUGYNQHZYXYCQ-VQIMIIECSA-N -1 3 398.425 3.154 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)N(C)C)cc1 ZINC000563379962 953598209 /nfs/dbraw/zinc/59/82/09/953598209.db2.gz MNPXUHBGWPSYEN-QUCCMNQESA-N -1 3 389.540 3.384 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000567858212 953636253 /nfs/dbraw/zinc/63/62/53/953636253.db2.gz XPHRIQJWYGOZDE-HQRMLTQVSA-N -1 3 388.508 3.324 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000567858213 953636956 /nfs/dbraw/zinc/63/69/56/953636956.db2.gz XPHRIQJWYGOZDE-KPFFTGBYSA-N -1 3 388.508 3.324 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000569971029 953652222 /nfs/dbraw/zinc/65/22/22/953652222.db2.gz BSSXARQKIZDEOQ-UKRRQHHQSA-N -1 3 398.425 3.382 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccc(F)c(F)c3)no2)C[C@H]1c1ccccc1 ZINC000571208156 953659962 /nfs/dbraw/zinc/65/99/62/953659962.db2.gz IRXMUNRBNHXDJX-LSDHHAIUSA-N -1 3 385.370 3.315 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000576039849 953687935 /nfs/dbraw/zinc/68/79/35/953687935.db2.gz QISZRIRQYFKLKK-IEBWSBKVSA-N -1 3 396.487 3.067 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2)CC1 ZINC000626748904 953803943 /nfs/dbraw/zinc/80/39/43/953803943.db2.gz XQSNESCHYMLTQW-YSIASYRMSA-N -1 3 387.524 3.212 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000629494988 953825095 /nfs/dbraw/zinc/82/50/95/953825095.db2.gz GFXUGNYRCUKMCL-ZTFGCOKTSA-N -1 3 378.488 3.462 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000629494982 953825558 /nfs/dbraw/zinc/82/55/58/953825558.db2.gz GFXUGNYRCUKMCL-FHLIZLRMSA-N -1 3 378.488 3.462 20 0 GGADHM C[C@@H]1CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000629502930 953833792 /nfs/dbraw/zinc/83/37/92/953833792.db2.gz SZTWLCCIHIMTFV-DYVFJYSZSA-N -1 3 398.425 3.239 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000630569491 953867784 /nfs/dbraw/zinc/86/77/84/953867784.db2.gz OPJGGNLCRYWJSH-ZDUSSCGKSA-N -1 3 395.887 3.142 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC(C)(C(=O)[O-])CC3)ccc2c1 ZINC000647373644 953957283 /nfs/dbraw/zinc/95/72/83/953957283.db2.gz LTRFUNXVDJDSGP-INIZCTEOSA-N -1 3 398.503 3.382 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CN3CCC(C)(C(=O)[O-])CC3)CC2)cc1 ZINC000647373403 953957822 /nfs/dbraw/zinc/95/78/22/953957822.db2.gz HGTUYYSWYIVRDW-UHFFFAOYSA-N -1 3 386.536 3.353 20 0 GGADHM CC1(C(=O)[O-])CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000647375249 953958094 /nfs/dbraw/zinc/95/80/94/953958094.db2.gz VMOFCUVIVZYWCU-HXUWFJFHSA-N -1 3 398.528 3.409 20 0 GGADHM C[C@@H]1CCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001589341282 954024012 /nfs/dbraw/zinc/02/40/12/954024012.db2.gz UESRHJAHGZRDBZ-YLJYHZDGSA-N -1 3 395.503 3.118 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000650803590 954034047 /nfs/dbraw/zinc/03/40/47/954034047.db2.gz MCLRTHASKRZWFM-LJQANCHMSA-N -1 3 395.908 3.266 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000652083946 954038572 /nfs/dbraw/zinc/03/85/72/954038572.db2.gz SFNSWOXNFXMWQS-OFNKIYASSA-N -1 3 397.519 3.193 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652087108 954043738 /nfs/dbraw/zinc/04/37/38/954043738.db2.gz VPYPNDMDSJFYRD-DHJUGAMNSA-N -1 3 395.503 3.164 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652087111 954044088 /nfs/dbraw/zinc/04/40/88/954044088.db2.gz VPYPNDMDSJFYRD-MONBJTKQSA-N -1 3 395.503 3.164 20 0 GGADHM CN(C)[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccsc1 ZINC001593692745 954053474 /nfs/dbraw/zinc/05/34/74/954053474.db2.gz GEWAHJRFFICJMQ-PBHICJAKSA-N -1 3 377.510 3.035 20 0 GGADHM CN(C)CCN(CC1CCCCC1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000652109270 954070604 /nfs/dbraw/zinc/07/06/04/954070604.db2.gz GTOKWRLYRWMVSQ-QFIPXVFZSA-N -1 3 389.540 3.182 20 0 GGADHM O=C([O-])[C@@H]1CN(C[C@@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470960 954088645 /nfs/dbraw/zinc/08/86/45/954088645.db2.gz OOPJCPUJLMNYNF-GDBMZVCRSA-N -1 3 395.377 3.129 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001593699417 954096375 /nfs/dbraw/zinc/09/63/75/954096375.db2.gz ZWSNFBDNICSQHD-UHFFFAOYSA-N -1 3 383.473 3.052 20 0 GGADHM O=C([O-])[C@H](NCc1cnc2ccc(Br)cn12)c1ccc(F)cc1 ZINC001594843682 954108331 /nfs/dbraw/zinc/10/83/31/954108331.db2.gz NTJUAZSLCMDALE-OAHLLOKOSA-N -1 3 378.201 3.151 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC001589353694 954108643 /nfs/dbraw/zinc/10/86/43/954108643.db2.gz WTDVDUVNGREMQW-WTNAPCKOSA-N -1 3 392.499 3.203 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2cccnc2C(=O)[O-])c2cccs2)CC1 ZINC001589353831 954111592 /nfs/dbraw/zinc/11/15/92/954111592.db2.gz YQXGNINIOSLOLV-OAHLLOKOSA-N -1 3 388.493 3.436 20 0 GGADHM CC(C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000655859457 954242551 /nfs/dbraw/zinc/24/25/51/954242551.db2.gz LBMRWXUQVUQCSG-CVEARBPZSA-N -1 3 381.542 3.177 20 0 GGADHM C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902124 954283384 /nfs/dbraw/zinc/28/33/84/954283384.db2.gz IUJUKXPCGQUCAH-VJUNAUMWSA-N -1 3 395.931 3.377 20 0 GGADHM C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907132 954290506 /nfs/dbraw/zinc/29/05/06/954290506.db2.gz HJGXNIXCVJHFEU-YTQUADARSA-N -1 3 387.524 3.039 20 0 GGADHM C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908621 954291628 /nfs/dbraw/zinc/29/16/28/954291628.db2.gz YYPQNRCHIKUUQZ-RYQLBKOJSA-N -1 3 379.545 3.029 20 0 GGADHM C[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656098723 954295448 /nfs/dbraw/zinc/29/54/48/954295448.db2.gz OIWRTHKQOXPIOJ-DDTOSNHZSA-N -1 3 380.851 3.285 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000659416681 954341578 /nfs/dbraw/zinc/34/15/78/954341578.db2.gz WGIFNPTWGCZMGU-YOEHRIQHSA-N -1 3 383.920 3.379 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC[C@@H]1C(=O)[O-] ZINC001589395467 954364697 /nfs/dbraw/zinc/36/46/97/954364697.db2.gz IYIASGZQDCYOIZ-AGHHOFFYSA-N -1 3 392.499 3.203 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC001589395469 954364887 /nfs/dbraw/zinc/36/48/87/954364887.db2.gz IYIASGZQDCYOIZ-NQSCKRDGSA-N -1 3 392.499 3.203 20 0 GGADHM CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662204912 954379518 /nfs/dbraw/zinc/37/95/18/954379518.db2.gz WSCBNULKGTUBLA-QGZVFWFLSA-N -1 3 390.480 3.450 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402085 954438662 /nfs/dbraw/zinc/43/86/62/954438662.db2.gz WYKJTEHIMJLHRQ-IIBYNOLFSA-N -1 3 386.517 3.312 20 0 GGADHM CN(CCOc1ccccc1C(=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC001593754734 954443091 /nfs/dbraw/zinc/44/30/91/954443091.db2.gz YWBWTGVGRMJJFJ-MRXNPFEDSA-N -1 3 394.265 3.192 20 0 GGADHM O=C([O-])C1(NCc2csc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC001594883055 954443120 /nfs/dbraw/zinc/44/31/20/954443120.db2.gz YCGSIDQXSNESSJ-UHFFFAOYSA-N -1 3 397.294 3.296 20 0 GGADHM CN(CCOc1ccccc1C(=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC001593754733 954443312 /nfs/dbraw/zinc/44/33/12/954443312.db2.gz YWBWTGVGRMJJFJ-INIZCTEOSA-N -1 3 394.265 3.192 20 0 GGADHM O=C([O-])CC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC000663119534 954513486 /nfs/dbraw/zinc/51/34/86/954513486.db2.gz LOMYGOALXJTGRW-QGZVFWFLSA-N -1 3 376.472 3.332 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000666513782 954546106 /nfs/dbraw/zinc/54/61/06/954546106.db2.gz CNKASZZCVCYFIN-FQEVSTJZSA-N -1 3 399.491 3.276 20 0 GGADHM O=C([O-])c1cccc(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000666523937 954549431 /nfs/dbraw/zinc/54/94/31/954549431.db2.gz QHTXNKDLOHAJKD-HXUWFJFHSA-N -1 3 381.476 3.239 20 0 GGADHM CCCN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000666558734 954558857 /nfs/dbraw/zinc/55/88/57/954558857.db2.gz VRDLRBWZDOOHKX-LJQANCHMSA-N -1 3 375.513 3.328 20 0 GGADHM CCN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000666563149 954559728 /nfs/dbraw/zinc/55/97/28/954559728.db2.gz UQPRITHAVUCZRK-FQEVSTJZSA-N -1 3 381.476 3.191 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562530 954560264 /nfs/dbraw/zinc/56/02/64/954560264.db2.gz LLRJDWLQXXPYOI-KRWDZBQOSA-N -1 3 381.476 3.191 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000676234074 954586275 /nfs/dbraw/zinc/58/62/75/954586275.db2.gz VLABMEYQAZBWMO-YLJYHZDGSA-N -1 3 388.508 3.326 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc(Cl)c(F)c3)o2)C1 ZINC001594913633 954720011 /nfs/dbraw/zinc/72/00/11/954720011.db2.gz BLBPNLWZTMDNMJ-DYVFJYSZSA-N -1 3 396.846 3.196 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc(Cl)c(F)c3)o2)C1 ZINC001594913634 954720076 /nfs/dbraw/zinc/72/00/76/954720076.db2.gz BLBPNLWZTMDNMJ-GUYCJALGSA-N -1 3 396.846 3.196 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCC3([C@H](O)c4ccccc4)CC3)o2)C1 ZINC001594913652 954720642 /nfs/dbraw/zinc/72/06/42/954720642.db2.gz BPLBSSUYIYFVPR-FXAWDEMLSA-N -1 3 384.476 3.184 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@@H]3C[C@@H](O)c3ccco3)o2)C1 ZINC001594914371 954728118 /nfs/dbraw/zinc/72/81/18/954728118.db2.gz GEKDCQDCDMMJEM-JFIYKMOQSA-N -1 3 388.464 3.262 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCOc3ccc(F)cc3F)o2)C1 ZINC001594915413 954744059 /nfs/dbraw/zinc/74/40/59/954744059.db2.gz CRZOOTQMFLTEQL-CYBMUJFWSA-N -1 3 380.391 3.027 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCc3ccc(F)c(F)c3F)o2)C1 ZINC001594915890 954751430 /nfs/dbraw/zinc/75/14/30/954751430.db2.gz HJRDOXLFOIFHEZ-ZDUSSCGKSA-N -1 3 382.382 3.330 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCOc3ccc4c(c3)CCC4)o2)C1 ZINC001594916544 954758654 /nfs/dbraw/zinc/75/86/54/954758654.db2.gz NKDOKCSJJJANGG-GOSISDBHSA-N -1 3 384.476 3.238 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC([C@H]4CCCCO4)CC3)o2)C1 ZINC001594917507 954771051 /nfs/dbraw/zinc/77/10/51/954771051.db2.gz OEUDNHRDMYLCFW-PKOBYXMFSA-N -1 3 376.497 3.362 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594918517 954782322 /nfs/dbraw/zinc/78/23/22/954782322.db2.gz UECQHNDVVGDRPK-HUUCEWRRSA-N -1 3 375.494 3.102 20 0 GGADHM COC(=O)[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)CC1CCCC1 ZINC001593810239 954928268 /nfs/dbraw/zinc/92/82/68/954928268.db2.gz FZYKGICLOKCJNH-IAGOWNOFSA-N -1 3 392.496 3.040 20 0 GGADHM O=C([O-])Cc1cccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000738624654 955250458 /nfs/dbraw/zinc/25/04/58/955250458.db2.gz DJTDVGZUQIWRGW-HXUWFJFHSA-N -1 3 381.476 3.490 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000769449475 955319292 /nfs/dbraw/zinc/31/92/92/955319292.db2.gz BGSONRKJSXJMIS-UHFFFAOYSA-N -1 3 399.516 3.154 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589013500 955404669 /nfs/dbraw/zinc/40/46/69/955404669.db2.gz XQCKTNFHCJNJOE-IDHHARJASA-N -1 3 390.455 3.322 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589013501 955405075 /nfs/dbraw/zinc/40/50/75/955405075.db2.gz XQCKTNFHCJNJOE-OGWOLHLISA-N -1 3 390.455 3.322 20 0 GGADHM COC(=O)c1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c2ncccc12 ZINC001593877600 955692015 /nfs/dbraw/zinc/69/20/15/955692015.db2.gz VHRFHFSTAFGFCS-LJQANCHMSA-N -1 3 376.412 3.205 20 0 GGADHM C[C@@H](COc1ccccc1F)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589076350 955816661 /nfs/dbraw/zinc/81/66/61/955816661.db2.gz LWKQMBYWBANPLF-LSDHHAIUSA-N -1 3 376.428 3.277 20 0 GGADHM Cc1cc(=O)oc2cc(OCCN3Cc4ccccc4[C@H](C(=O)[O-])C3)ccc12 ZINC000852736543 955846979 /nfs/dbraw/zinc/84/69/79/955846979.db2.gz ZSYFQGNNSHDXJI-LJQANCHMSA-N -1 3 379.412 3.164 20 0 GGADHM O=C([O-])c1ccccc1CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000864591805 955997111 /nfs/dbraw/zinc/99/71/11/955997111.db2.gz ZZRLEHUZTQUXGU-UHFFFAOYSA-N -1 3 399.516 3.298 20 0 GGADHM CC(C)c1ccc(Oc2cc(C(=O)N(CCN(C)C)CC(=O)[O-])ccn2)cc1 ZINC000868436622 956012041 /nfs/dbraw/zinc/01/20/41/956012041.db2.gz TXZATFCMNSJBRB-UHFFFAOYSA-N -1 3 385.464 3.086 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC000874397887 956152755 /nfs/dbraw/zinc/15/27/55/956152755.db2.gz LOWLHDQZFLRHHP-FQEVSTJZSA-N -1 3 383.492 3.341 20 0 GGADHM CSc1ccc([C@H](CNC(=O)NCc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000874402451 956163270 /nfs/dbraw/zinc/16/32/70/956163270.db2.gz PLDBCJCPGQFEEJ-SFHVURJKSA-N -1 3 387.505 3.209 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410112 956183705 /nfs/dbraw/zinc/18/37/05/956183705.db2.gz JYNYNNCGCMLBBZ-UHFFFAOYSA-N -1 3 389.883 3.312 20 0 GGADHM C[C@@](NCc1cccc(C(=O)NCc2ccco2)c1)(C(=O)[O-])c1ccccc1 ZINC001589131107 956190069 /nfs/dbraw/zinc/19/00/69/956190069.db2.gz AONRYQRGHOFVGP-QFIPXVFZSA-N -1 3 378.428 3.299 20 0 GGADHM CCOC(=O)c1csc(CC2CCN(Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000883410715 956239669 /nfs/dbraw/zinc/23/96/69/956239669.db2.gz HVWBKFOKQHWZQD-UHFFFAOYSA-N -1 3 388.489 3.473 20 0 GGADHM CO[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccc(F)cc1 ZINC001593940970 956272318 /nfs/dbraw/zinc/27/23/18/956272318.db2.gz WJEGCNCVSWTYOX-MAUKXSAKSA-N -1 3 376.428 3.197 20 0 GGADHM C[C@@](O)(CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccccc1Cl ZINC001589146548 956294589 /nfs/dbraw/zinc/29/45/89/956294589.db2.gz FSLXKEVKWWCGFX-JLTOFOAXSA-N -1 3 392.883 3.231 20 0 GGADHM O=C([O-])/C=C\c1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)co1 ZINC000901608327 956371764 /nfs/dbraw/zinc/37/17/64/956371764.db2.gz JEVALYZTXUDVNO-KTKRTIGZSA-N -1 3 382.460 3.158 20 0 GGADHM O=C([O-])/C=C/c1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)co1 ZINC000901608328 956373013 /nfs/dbraw/zinc/37/30/13/956373013.db2.gz JEVALYZTXUDVNO-MDZDMXLPSA-N -1 3 382.460 3.158 20 0 GGADHM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000901922810 956545167 /nfs/dbraw/zinc/54/51/67/956545167.db2.gz WTUIVHDIRBPCKN-SOFGYWHQSA-N -1 3 386.473 3.221 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001593966321 956545830 /nfs/dbraw/zinc/54/58/30/956545830.db2.gz HVJZASJUSGBKHT-GAJHUEQPSA-N -1 3 396.487 3.028 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001593966322 956546184 /nfs/dbraw/zinc/54/61/84/956546184.db2.gz HVJZASJUSGBKHT-HXOBKFHXSA-N -1 3 396.487 3.028 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)C1 ZINC001593966593 956551608 /nfs/dbraw/zinc/55/16/08/956551608.db2.gz IQUBPCJBMPLOHP-IBGZPJMESA-N -1 3 394.903 3.071 20 0 GGADHM CCN(CC)[C@H](CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(OC)c1 ZINC000901970368 956578239 /nfs/dbraw/zinc/57/82/39/956578239.db2.gz ZCLQHQYQVUMNFA-SIKDUDHDSA-N -1 3 386.448 3.199 20 0 GGADHM CC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21)N(CC)CC ZINC000902325078 956703927 /nfs/dbraw/zinc/70/39/27/956703927.db2.gz JRCDEZRSLSFEQN-ZFWWWQNUSA-N -1 3 397.313 3.474 20 0 GGADHM O=C([O-])C1(NCC(=O)NCCc2cccc(Cl)c2Cl)CCCCCC1 ZINC001594697138 956781967 /nfs/dbraw/zinc/78/19/67/956781967.db2.gz VCVXDBSAXISDDD-UHFFFAOYSA-N -1 3 387.307 3.419 20 0 GGADHM CN(C)Cc1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1C(F)(F)F ZINC000902757750 956799907 /nfs/dbraw/zinc/79/99/07/956799907.db2.gz WRVIFXBUELCOMG-UHFFFAOYSA-N -1 3 390.427 3.304 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@H](C)c1ccc(Br)cc1)C[C@H]2C(=O)[O-] ZINC000903416063 956845902 /nfs/dbraw/zinc/84/59/02/956845902.db2.gz NWNPJFIRYQDHLZ-RZIWXSCYSA-N -1 3 396.281 3.096 20 0 GGADHM CCC[C@@H](NCc1ccc(C(=O)[O-])s1)C(=O)N1CCc2sccc2C1 ZINC000903677056 956856995 /nfs/dbraw/zinc/85/69/95/956856995.db2.gz LMQPGDAGBDLOHQ-CQSZACIVSA-N -1 3 378.519 3.351 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)s1 ZINC000903685642 956865334 /nfs/dbraw/zinc/86/53/34/956865334.db2.gz WSJMKBSTUWVDFR-OAHLLOKOSA-N -1 3 380.416 3.005 20 0 GGADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc(C(=O)[O-])s2)C1=O ZINC000903689507 956868762 /nfs/dbraw/zinc/86/87/62/956868762.db2.gz IXTRSHYUKQAWSE-BLLLJJGKSA-N -1 3 376.453 3.427 20 0 GGADHM COC(=O)C1CC2(C1)CN(Cc1ccc(Oc3ccccc3)o1)C[C@H]2C(=O)[O-] ZINC000903695231 956878303 /nfs/dbraw/zinc/87/83/03/956878303.db2.gz SMOKHJNGSHUCLN-XZSJUEPFSA-N -1 3 385.416 3.158 20 0 GGADHM C[C@@H]1CN(CCC2(C(=O)[O-])CCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000903696255 956884726 /nfs/dbraw/zinc/88/47/26/956884726.db2.gz UGWAFEITYYVDMA-OAHLLOKOSA-N -1 3 378.900 3.060 20 0 GGADHM COC(=O)c1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])c(Br)c1 ZINC000903698597 956888869 /nfs/dbraw/zinc/88/88/69/956888869.db2.gz ZTXACWAPHNDEMD-CQSZACIVSA-N -1 3 384.270 3.455 20 0 GGADHM COCCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001593995721 956891861 /nfs/dbraw/zinc/89/18/61/956891861.db2.gz QCNHFEQZVNYHTP-UHFFFAOYSA-N -1 3 392.496 3.233 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN(CCO)[C@@H]3CCc4ccccc43)o2)CC1 ZINC000904194021 956920564 /nfs/dbraw/zinc/92/05/64/956920564.db2.gz QOIHJJRODQPAFQ-HXUWFJFHSA-N -1 3 384.476 3.062 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN(CCO)[C@@H]3CCCc4ccccc43)o2)CC1 ZINC000904193181 956921021 /nfs/dbraw/zinc/92/10/21/956921021.db2.gz BYAVBCFRSBOBPB-OAQYLSRUSA-N -1 3 398.503 3.453 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCC2 ZINC000904195090 956921126 /nfs/dbraw/zinc/92/11/26/956921126.db2.gz IVTSJDTXYFZOGR-QZTJIDSGSA-N -1 3 376.497 3.360 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCC2 ZINC000904195089 956921737 /nfs/dbraw/zinc/92/17/37/956921737.db2.gz IVTSJDTXYFZOGR-MSOLQXFVSA-N -1 3 376.497 3.360 20 0 GGADHM C[C@@]1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)OCCc2sccc21 ZINC001589246845 956935324 /nfs/dbraw/zinc/93/53/24/956935324.db2.gz LLAUAUZHNVRACR-XOBRGWDASA-N -1 3 390.505 3.220 20 0 GGADHM C[C@]1(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)OCCc2sccc21 ZINC000904240692 956935702 /nfs/dbraw/zinc/93/57/02/956935702.db2.gz KMKPGHIRNIKVAH-HXUWFJFHSA-N -1 3 390.505 3.220 20 0 GGADHM C[C@@H](COc1c(F)cccc1F)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904252360 956942361 /nfs/dbraw/zinc/94/23/61/956942361.db2.gz YZCGWAZWAWHITN-ZDUSSCGKSA-N -1 3 394.418 3.416 20 0 GGADHM CC1(C)CCC[C@@](O)(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC1 ZINC000904255531 956945498 /nfs/dbraw/zinc/94/54/98/956945498.db2.gz XEAKSVQNCPPUMH-NRFANRHFSA-N -1 3 378.513 3.392 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CC[C@H](Cc4nccs4)C3)o2)CC1 ZINC000904268594 956953482 /nfs/dbraw/zinc/95/34/82/956953482.db2.gz WEVITJNRMJTDQA-CQSZACIVSA-N -1 3 375.494 3.102 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000911300741 957060097 /nfs/dbraw/zinc/06/00/97/957060097.db2.gz SRRNVMWSTATESA-UHFFFAOYSA-N -1 3 376.403 3.175 20 0 GGADHM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911773292 957092134 /nfs/dbraw/zinc/09/21/34/957092134.db2.gz LCQNCPCPZBJXGU-JSXRDJHFSA-N -1 3 396.462 3.021 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000923469314 957116056 /nfs/dbraw/zinc/11/60/56/957116056.db2.gz DULSHFVOXKEVOD-MAUKXSAKSA-N -1 3 384.398 3.388 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001121810115 957206951 /nfs/dbraw/zinc/20/69/51/957206951.db2.gz QYQPJGUVWJKMHZ-LEWJYISDSA-N -1 3 395.503 3.245 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC001121918635 957233101 /nfs/dbraw/zinc/23/31/01/957233101.db2.gz NUCJZFASLPYCRW-RCCFBDPRSA-N -1 3 399.516 3.497 20 0 GGADHM O=C([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000389980281 972259191 /nfs/dbraw/zinc/25/91/91/972259191.db2.gz KIQJXHBPSDCPCJ-MRXNPFEDSA-N -1 3 375.856 3.136 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)N(C)Cc1ccccc1 ZINC000390539293 972292608 /nfs/dbraw/zinc/29/26/08/972292608.db2.gz KUXYBUYETBIICU-LBPRGKRZSA-N -1 3 377.391 3.305 20 0 GGADHM COC(=O)[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)C[C@H]1c1ccc(F)cc1F ZINC001333162746 957775583 /nfs/dbraw/zinc/77/55/83/957775583.db2.gz GLSZYXWCAVEWMR-UONOGXRCSA-N -1 3 381.400 3.113 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC001338610862 957849475 /nfs/dbraw/zinc/84/94/75/957849475.db2.gz ZQSRRAORMALZRV-PXNSSMCTSA-N -1 3 393.553 3.298 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001339721589 957869737 /nfs/dbraw/zinc/86/97/37/957869737.db2.gz ABKAABNAIYODMR-UIAACRFSSA-N -1 3 381.476 3.119 20 0 GGADHM CCCN(C(=O)NC[C@@H](CC)C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001339801288 957876283 /nfs/dbraw/zinc/87/62/83/957876283.db2.gz DOFJEZXXZPRPCP-MOPGFXCFSA-N -1 3 375.513 3.183 20 0 GGADHM CCCN(C(=O)NC[C@@H](CC)C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001339801293 957877238 /nfs/dbraw/zinc/87/72/38/957877238.db2.gz DOFJEZXXZPRPCP-RTBURBONSA-N -1 3 375.513 3.183 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC001339925551 957901955 /nfs/dbraw/zinc/90/19/55/957901955.db2.gz JJLSFJCYFWWKHI-DOVSJBTNSA-N -1 3 393.487 3.262 20 0 GGADHM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccc21 ZINC001339945306 957910718 /nfs/dbraw/zinc/91/07/18/957910718.db2.gz JJVUXTYATMENPO-SFTDATJTSA-N -1 3 393.487 3.217 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)c2ccccc21 ZINC001341227139 957949518 /nfs/dbraw/zinc/94/95/18/957949518.db2.gz YSSSDKIRLUYARH-RTWAWAEBSA-N -1 3 393.487 3.047 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001343133100 958032821 /nfs/dbraw/zinc/03/28/21/958032821.db2.gz HUEBEZMMKKUENJ-PMACEKPBSA-N -1 3 387.524 3.328 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001352988528 958131475 /nfs/dbraw/zinc/13/14/75/958131475.db2.gz NOISEXWRCOJNGJ-GWKIZSTFSA-N -1 3 393.487 3.434 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001353015834 958136320 /nfs/dbraw/zinc/13/63/20/958136320.db2.gz RBJMWYKCAJVMHI-CZAAIQMYSA-N -1 3 393.487 3.043 20 0 GGADHM CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001353155802 958150687 /nfs/dbraw/zinc/15/06/87/958150687.db2.gz MRNUDKDVGXDXCA-DZFGPLHGSA-N -1 3 393.487 3.216 20 0 GGADHM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)c2ccccc21 ZINC001353156663 958152238 /nfs/dbraw/zinc/15/22/38/958152238.db2.gz TVHNTRVMVLZIPT-PMACEKPBSA-N -1 3 385.508 3.207 20 0 GGADHM C[C@H](CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)N(C)Cc1ccccc1 ZINC001357173233 958188021 /nfs/dbraw/zinc/18/80/21/958188021.db2.gz OASGJBNLUZTJOZ-CDHQVMDDSA-N -1 3 381.476 3.119 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001357532681 958202606 /nfs/dbraw/zinc/20/26/06/958202606.db2.gz OWBJFZIHAULJJF-SIKLNZKXSA-N -1 3 387.524 3.328 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001521241106 958236012 /nfs/dbraw/zinc/23/60/12/958236012.db2.gz PHDZOSUPMRDAHV-UXHICEINSA-N -1 3 399.466 3.212 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001521241107 958236121 /nfs/dbraw/zinc/23/61/21/958236121.db2.gz PHDZOSUPMRDAHV-VQTJNVASSA-N -1 3 399.466 3.212 20 0 GGADHM COc1ccc(C[C@@H]2CCN2Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594089100 958340614 /nfs/dbraw/zinc/34/06/14/958340614.db2.gz KKUDREARDSNDIJ-MSOLQXFVSA-N -1 3 384.476 3.406 20 0 GGADHM COc1ccc(Cl)cc1C[C@H]1CCCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001594096646 958411206 /nfs/dbraw/zinc/41/12/06/958411206.db2.gz LBSQCLVSWIDQDS-CYBMUJFWSA-N -1 3 377.872 3.235 20 0 GGADHM COc1ccc(NC(=O)[C@H](N[C@H](C)CC(=O)[O-])c2ccccc2)cc1Cl ZINC001594101639 958441854 /nfs/dbraw/zinc/44/18/54/958441854.db2.gz NWVBWSIOGNVYHR-KZULUSFZSA-N -1 3 376.840 3.481 20 0 GGADHM Cc1ccc(CN2CC[C@@H](NCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360353 958444549 /nfs/dbraw/zinc/44/45/49/958444549.db2.gz VQGDKJSDIGGJLG-VQTJNVASSA-N -1 3 397.519 3.253 20 0 GGADHM COc1ccc(OCCCNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594111053 958504649 /nfs/dbraw/zinc/50/46/49/958504649.db2.gz GAGUCFUVTBTWPZ-INIZCTEOSA-N -1 3 388.464 3.148 20 0 GGADHM C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588487956 958629602 /nfs/dbraw/zinc/62/96/02/958629602.db2.gz MTKHLCAILIQPHF-IVOILVROSA-N -1 3 384.398 3.164 20 0 GGADHM C[C@@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)C1CC1 ZINC001573375334 958652163 /nfs/dbraw/zinc/65/21/63/958652163.db2.gz OSPJOROPVLIQAP-LBPRGKRZSA-N -1 3 395.887 3.282 20 0 GGADHM COc1nsc(CNC[C@@](C)(C(=O)[O-])c2ccccc2)c1Br ZINC001594160807 958889253 /nfs/dbraw/zinc/88/92/53/958889253.db2.gz BQOZFKHVAVAOIH-OAHLLOKOSA-N -1 3 385.283 3.046 20 0 GGADHM C[C@@](CNCc1nc(C(F)(F)F)n2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC001573600828 959441092 /nfs/dbraw/zinc/44/10/92/959441092.db2.gz BYXCIMFERVODKY-SFHVURJKSA-N -1 3 381.398 3.370 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000183918207 959453896 /nfs/dbraw/zinc/45/38/96/959453896.db2.gz DHDDXUTXBOQZNS-UHFFFAOYSA-N -1 3 394.471 3.065 20 0 GGADHM CN(C)Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c2c1OC(F)(F)O2 ZINC001604074800 972464294 /nfs/dbraw/zinc/46/42/94/972464294.db2.gz GGCKNLBUMCFCKX-UHFFFAOYSA-N -1 3 378.375 3.058 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(CNC3(CC(=O)[O-])CCCCC3)co2)cc1 ZINC001604936877 972503105 /nfs/dbraw/zinc/50/31/05/972503105.db2.gz YVHHSCTUYWNAQT-UHFFFAOYSA-N -1 3 392.477 3.012 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccn2)c2cccs2)CC1 ZINC001573736366 960439535 /nfs/dbraw/zinc/43/95/35/960439535.db2.gz UHKSYARSNNZLPF-HNNXBMFYSA-N -1 3 388.493 3.436 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2cc(C(=O)[O-])ccn2)c2cccs2)CC1 ZINC001573736367 960439554 /nfs/dbraw/zinc/43/95/54/960439554.db2.gz UHKSYARSNNZLPF-OAHLLOKOSA-N -1 3 388.493 3.436 20 0 GGADHM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(Cc1ccc(OCC(=O)[O-])cc1)C2 ZINC001138924553 960492930 /nfs/dbraw/zinc/49/29/30/960492930.db2.gz QONLYXWDYIPNFM-IIBYNOLFSA-N -1 3 390.480 3.029 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@H](N2CCC(C)(C(=O)[O-])CC2)[C@H](O)c2ccccc21 ZINC001588675856 960544362 /nfs/dbraw/zinc/54/43/62/960544362.db2.gz DITHZDPQFQUERU-DLBZAZTESA-N -1 3 390.480 3.030 20 0 GGADHM CC(C)(C)OC(=O)N1CCC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238232175 960630209 /nfs/dbraw/zinc/63/02/09/960630209.db2.gz AGLRJODVPQBVCY-UHFFFAOYSA-N -1 3 378.444 3.499 20 0 GGADHM Cc1cc(Br)cc(C)c1N1CCC[C@@H](N(C)C[C@H](C)C(=O)[O-])C1=O ZINC001574307805 960751282 /nfs/dbraw/zinc/75/12/82/960751282.db2.gz LKRSRKZNGOOYPJ-DZGCQCFKSA-N -1 3 397.313 3.214 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001262180534 960830744 /nfs/dbraw/zinc/83/07/44/960830744.db2.gz FHMBYWRVJULGDZ-UHFFFAOYSA-N -1 3 384.354 3.201 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(CCC2(C(=O)[O-])CCC2)CC[C@@H]1C(F)(F)F ZINC001588707391 960867328 /nfs/dbraw/zinc/86/73/28/960867328.db2.gz CYALAWREDGTONB-QWHCGFSZSA-N -1 3 394.434 3.409 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2CCc3cc(F)ccc32)CCCN(Cc2ccccc2)C1 ZINC001263629715 960874909 /nfs/dbraw/zinc/87/49/09/960874909.db2.gz MAANNVGHTSOGRI-NZQKXSOJSA-N -1 3 396.462 3.091 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@H]2CCc3cc(F)ccc32)CCCN(Cc2ccccc2)C1 ZINC001263629717 960875775 /nfs/dbraw/zinc/87/57/75/960875775.db2.gz MAANNVGHTSOGRI-REWPJTCUSA-N -1 3 396.462 3.091 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000237554809 960961239 /nfs/dbraw/zinc/96/12/39/960961239.db2.gz BQHLPSPTGZUCGC-INIZCTEOSA-N -1 3 398.528 3.430 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000248510830 961196063 /nfs/dbraw/zinc/19/60/63/961196063.db2.gz ANQIAKRIZOTKRF-JBACZVJFSA-N -1 3 399.535 3.075 20 0 GGADHM CC[C@@H](CNC(=O)CCc1ccccc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000262196774 961542072 /nfs/dbraw/zinc/54/20/72/961542072.db2.gz ODBOVKCGZNGTDI-FQEVSTJZSA-N -1 3 380.488 3.271 20 0 GGADHM Cn1ncc(C(=O)[O-])c1CN1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001574472709 961612391 /nfs/dbraw/zinc/61/23/91/961612391.db2.gz FOYCZJVNNAZJSQ-UHFFFAOYSA-N -1 3 383.370 3.397 20 0 GGADHM CCCN1CCCC[C@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001334980451 961867204 /nfs/dbraw/zinc/86/72/04/961867204.db2.gz UIJGULCNZNQSFM-FPOVZHCZSA-N -1 3 382.504 3.464 20 0 GGADHM CCCN1CCCC[C@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001334980735 961868634 /nfs/dbraw/zinc/86/86/34/961868634.db2.gz YOQKYAHFOHFKQI-SFTDATJTSA-N -1 3 382.504 3.464 20 0 GGADHM CCCN1CCCC[C@@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001334980731 961869781 /nfs/dbraw/zinc/86/97/81/961869781.db2.gz YOQKYAHFOHFKQI-NHCUHLMSSA-N -1 3 382.504 3.464 20 0 GGADHM CC(C)C[C@@H](CNCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001588858152 961974239 /nfs/dbraw/zinc/97/42/39/961974239.db2.gz HZEUPJUPAHFMPM-ZDUSSCGKSA-N -1 3 397.541 3.273 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)N(C)C)cc1 ZINC001339864965 962082107 /nfs/dbraw/zinc/08/21/07/962082107.db2.gz WZHVNEAMSHUCKC-CRAIPNDOSA-N -1 3 393.553 3.298 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001340461089 962094900 /nfs/dbraw/zinc/09/49/00/962094900.db2.gz GWHOGSYJFFJZPE-LKUPVBHCSA-N -1 3 393.487 3.216 20 0 GGADHM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001345095416 962225324 /nfs/dbraw/zinc/22/53/24/962225324.db2.gz HTYPIZZVVHVFJO-YZUZCNPQSA-N -1 3 392.499 3.334 20 0 GGADHM CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263088128 962236521 /nfs/dbraw/zinc/23/65/21/962236521.db2.gz IPLIOKVBJIMRQG-PXNSSMCTSA-N -1 3 388.508 3.326 20 0 GGADHM O=C([O-])CC1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCC1 ZINC001345145752 962245291 /nfs/dbraw/zinc/24/52/91/962245291.db2.gz TZGNGIPSPGLSTE-KRWDZBQOSA-N -1 3 376.472 3.189 20 0 GGADHM O=C([O-])CC[C@H]1CCCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000263109879 962262075 /nfs/dbraw/zinc/26/20/75/962262075.db2.gz KYXDSAXUGWNAJJ-PBHICJAKSA-N -1 3 396.434 3.360 20 0 GGADHM C/C(=C\C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345729335 962274716 /nfs/dbraw/zinc/27/47/16/962274716.db2.gz JUYVCBGISNIJGV-ZGSOLVRCSA-N -1 3 378.472 3.326 20 0 GGADHM Cn1c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc2ccccc21 ZINC001345729940 962275216 /nfs/dbraw/zinc/27/52/16/962275216.db2.gz QSHIXXWIVQVJIY-HSZRJFAPSA-N -1 3 391.471 3.028 20 0 GGADHM CC(C)(CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC001345744629 962275744 /nfs/dbraw/zinc/27/57/44/962275744.db2.gz AFFSJGXHUONNMA-GOSISDBHSA-N -1 3 386.414 3.201 20 0 GGADHM C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263145238 962300036 /nfs/dbraw/zinc/30/00/36/962300036.db2.gz ORVWZSRZNNTPRD-KBPBESRZSA-N -1 3 384.879 3.403 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Cc2cccc(C3CC3)c2)CCCN(Cc2ccccc2)C1 ZINC001346289436 962338247 /nfs/dbraw/zinc/33/82/47/962338247.db2.gz WIIBHILREVARLM-XMMPIXPASA-N -1 3 392.499 3.342 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccccc1OCc1ccncc1)O2 ZINC001574648291 962401578 /nfs/dbraw/zinc/40/15/78/962401578.db2.gz BDLSIKHRFGQIHZ-LVIWNVNYSA-N -1 3 382.460 3.163 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001588923391 962415911 /nfs/dbraw/zinc/41/59/11/962415911.db2.gz WKUKLPDGDZZJGQ-UHFFFAOYSA-N -1 3 382.460 3.272 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263371855 962529610 /nfs/dbraw/zinc/52/96/10/962529610.db2.gz NEEJTOXDSMPHTC-VQIMIIECSA-N -1 3 381.904 3.229 20 0 GGADHM CN1C(=O)C[C@@H](NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263380866 962539765 /nfs/dbraw/zinc/53/97/65/962539765.db2.gz BPHQVMVFRRRFQA-SJLPKXTDSA-N -1 3 376.815 3.239 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001574132881 962548850 /nfs/dbraw/zinc/54/88/50/962548850.db2.gz CKJSQYKRFZHURP-LHSJRXKWSA-N -1 3 381.432 3.374 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)Cc2ccccc21 ZINC001356607219 962743743 /nfs/dbraw/zinc/74/37/43/962743743.db2.gz DRVAYLLGOLOVBF-PZJWPPBQSA-N -1 3 393.487 3.045 20 0 GGADHM Cc1ccccc1C[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001520151228 962812449 /nfs/dbraw/zinc/81/24/49/962812449.db2.gz NVEHNFNSQVTSRJ-DVECYGJZSA-N -1 3 394.515 3.409 20 0 GGADHM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001520193731 962841702 /nfs/dbraw/zinc/84/17/02/962841702.db2.gz YRAAJEVOPALYCG-FRQCXROJSA-N -1 3 398.425 3.201 20 0 GGADHM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001520193730 962842191 /nfs/dbraw/zinc/84/21/91/962842191.db2.gz YRAAJEVOPALYCG-FCEWJHQRSA-N -1 3 398.425 3.201 20 0 GGADHM COc1ccc(C[C@H](NCc2c(C(=O)[O-])cnn2C)c2ccc(OC)cc2)cc1 ZINC001574204251 962899780 /nfs/dbraw/zinc/89/97/80/962899780.db2.gz IGDZWLWFCFDHCZ-FQEVSTJZSA-N -1 3 395.459 3.209 20 0 GGADHM O=C([O-])c1c(F)cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000312442512 963563504 /nfs/dbraw/zinc/56/35/04/963563504.db2.gz BQTWPFXBKLFCSK-ZDUSSCGKSA-N -1 3 375.375 3.059 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000263375643 967882191 /nfs/dbraw/zinc/88/21/91/967882191.db2.gz WOEVERVVSUUIHR-YSIASYRMSA-N -1 3 387.524 3.212 20 0 GGADHM CC(C)C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603658 968099138 /nfs/dbraw/zinc/09/91/38/968099138.db2.gz PIKCEXQCKJYJPO-PKOBYXMFSA-N -1 3 375.513 3.039 20 0 GGADHM CCC(CC)(CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)C(=O)[O-] ZINC000424400883 968362423 /nfs/dbraw/zinc/36/24/23/968362423.db2.gz WIARHYPTAAQXPG-MRXNPFEDSA-N -1 3 381.542 3.201 20 0 GGADHM CC(C)(C)CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000449150414 968378458 /nfs/dbraw/zinc/37/84/58/968378458.db2.gz ZQNRNXSPHZZTPF-FUHWJXTLSA-N -1 3 378.488 3.433 20 0 GGADHM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000449150413 968378760 /nfs/dbraw/zinc/37/87/60/968378760.db2.gz ZQNRNXSPHZZTPF-AEFFLSMTSA-N -1 3 378.488 3.433 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000532880885 968401311 /nfs/dbraw/zinc/40/13/11/968401311.db2.gz CYHASLCYKONDFV-AOMKIAJQSA-N -1 3 398.528 3.409 20 0 GGADHM C[C@@H]1CCN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000565362696 968423855 /nfs/dbraw/zinc/42/38/55/968423855.db2.gz LKBHMRQFLOCXDK-BUVFEPMLSA-N -1 3 398.478 3.416 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000579587322 968470772 /nfs/dbraw/zinc/47/07/72/968470772.db2.gz CPPOJWAHKBVUIZ-DFQSSKMNSA-N -1 3 387.524 3.212 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000579587323 968471184 /nfs/dbraw/zinc/47/11/84/968471184.db2.gz CPPOJWAHKBVUIZ-MISYRCLQSA-N -1 3 387.524 3.212 20 0 GGADHM Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)cc1 ZINC000635519792 968548410 /nfs/dbraw/zinc/54/84/10/968548410.db2.gz SEBBSXGUWZAHPI-OQIJWPOYSA-N -1 3 387.524 3.004 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC(C)(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000646144373 968561141 /nfs/dbraw/zinc/56/11/41/968561141.db2.gz PCOIVYORIWDZMW-LJQANCHMSA-N -1 3 387.524 3.356 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC(C)(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000646144372 968561218 /nfs/dbraw/zinc/56/12/18/968561218.db2.gz PCOIVYORIWDZMW-IBGZPJMESA-N -1 3 387.524 3.356 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000647367627 968573865 /nfs/dbraw/zinc/57/38/65/968573865.db2.gz YAIFAIHWHGKNRU-KUDFPVQQSA-N -1 3 398.528 3.407 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccco1 ZINC000652095663 968622025 /nfs/dbraw/zinc/62/20/25/968622025.db2.gz NMOPHHDBYHBZHD-WJPUGNRLSA-N -1 3 387.480 3.051 20 0 GGADHM C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578314 968685247 /nfs/dbraw/zinc/68/52/47/968685247.db2.gz QORHMUQSKNAAKZ-TWKWOARYSA-N -1 3 390.499 3.289 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655874295 968701753 /nfs/dbraw/zinc/70/17/53/968701753.db2.gz XMAWFSGUOLXPCT-XWCCPHMRSA-N -1 3 387.524 3.084 20 0 GGADHM C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907757 968714970 /nfs/dbraw/zinc/71/49/70/968714970.db2.gz SFADKFPDZAOEDG-BHYGNILZSA-N -1 3 393.503 3.034 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000659402416 968733497 /nfs/dbraw/zinc/73/34/97/968733497.db2.gz FWFOCVCURZTBKR-INIZCTEOSA-N -1 3 381.904 3.277 20 0 GGADHM CC1CCN([C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc2)CC1 ZINC000659751951 968742869 /nfs/dbraw/zinc/74/28/69/968742869.db2.gz CPXHAPRKDCUDGM-NRFANRHFSA-N -1 3 396.487 3.353 20 0 GGADHM O=C([O-])[C@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000662223452 968756353 /nfs/dbraw/zinc/75/63/53/968756353.db2.gz NIUXPUVEBIZFFG-LEWJYISDSA-N -1 3 378.472 3.254 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c2)CC1 ZINC000663352113 968835707 /nfs/dbraw/zinc/83/57/07/968835707.db2.gz LWXPLAYMHZVLAP-KRWDZBQOSA-N -1 3 390.528 3.087 20 0 GGADHM CC(C)(C)c1cccc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852733430 969290063 /nfs/dbraw/zinc/29/00/63/969290063.db2.gz QDNLMRRJACFYGF-CABCVRRESA-N -1 3 386.414 3.080 20 0 GGADHM COC(=O)C1CC2(C1)CN(Cc1ccc(OC(C)C)c(Cl)c1)C[C@H]2C(=O)[O-] ZINC000903415911 969578742 /nfs/dbraw/zinc/57/87/42/969578742.db2.gz MGXZEDQSUWSWCO-CHWWFWEZSA-N -1 3 395.883 3.213 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000923469467 969651574 /nfs/dbraw/zinc/65/15/74/969651574.db2.gz HFUPACHFXAVSBY-GOSISDBHSA-N -1 3 387.307 3.229 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121925842 969683737 /nfs/dbraw/zinc/68/37/37/969683737.db2.gz LIIQNNKOOCKZEJ-LEWJYISDSA-N -1 3 395.503 3.116 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)N(C)C)cc1 ZINC001263069867 969695332 /nfs/dbraw/zinc/69/53/32/969695332.db2.gz CZLVGWUABJTIIF-AABGKKOBSA-N -1 3 381.476 3.210 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001335361470 969730950 /nfs/dbraw/zinc/73/09/50/969730950.db2.gz QPVXPOKDHQJQBX-HNAYVOBHSA-N -1 3 379.526 3.171 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC001341241499 969747750 /nfs/dbraw/zinc/74/77/50/969747750.db2.gz KYWVFYBQCVBWGQ-GWKIZSTFSA-N -1 3 393.487 3.262 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001341448706 969753406 /nfs/dbraw/zinc/75/34/06/969753406.db2.gz DPYCVEMTIHPBDX-VQTJNVASSA-N -1 3 381.476 3.073 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341448705 969753570 /nfs/dbraw/zinc/75/35/70/969753570.db2.gz DPYCVEMTIHPBDX-UXHICEINSA-N -1 3 381.476 3.073 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccco1 ZINC001343041890 969756507 /nfs/dbraw/zinc/75/65/07/969756507.db2.gz SVBLVADLYMITAA-QGTPRVQTSA-N -1 3 385.464 3.102 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001604208092 972670828 /nfs/dbraw/zinc/67/08/28/972670828.db2.gz FRBUZJLORPWQIR-QWHCGFSZSA-N -1 3 380.872 3.252 20 0 GGADHM Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)CCCC(=O)[O-])C1=O ZINC001605102426 972762277 /nfs/dbraw/zinc/76/22/77/972762277.db2.gz YLINWFJFYYYITN-HNNXBMFYSA-N -1 3 397.313 3.358 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)c1 ZINC001605132385 972797212 /nfs/dbraw/zinc/79/72/12/972797212.db2.gz JTWVAULVUBPZHH-UHFFFAOYSA-N -1 3 396.487 3.058 20 0 GGADHM Cc1cc(N2CCC[C@@H](N(C)CCCC(=O)[O-])C2=O)ccc1Br ZINC001605194461 972921418 /nfs/dbraw/zinc/92/14/18/972921418.db2.gz GYNQUYRUENLYOY-OAHLLOKOSA-N -1 3 383.286 3.050 20 0 GGADHM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC001605978192 973009089 /nfs/dbraw/zinc/00/90/89/973009089.db2.gz RPSVXJAGJAWKFP-OAHLLOKOSA-N -1 3 386.879 3.391 20 0 GGADHM O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC001605978191 973009587 /nfs/dbraw/zinc/00/95/87/973009587.db2.gz RPSVXJAGJAWKFP-HNNXBMFYSA-N -1 3 386.879 3.391 20 0 GGADHM O=C([O-])C1CCC(O)(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC001605994370 973061081 /nfs/dbraw/zinc/06/10/81/973061081.db2.gz PUKPBUZLIBGGMC-ZRZGDYATSA-N -1 3 377.325 3.055 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H]3CCC[C@@H](C(F)(F)F)O3)o2)C1 ZINC001605997874 973073726 /nfs/dbraw/zinc/07/37/26/973073726.db2.gz ICEJSAJRTZOQGY-IPYPFGDCSA-N -1 3 390.402 3.170 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC(C4CCOCC4)CC3)o2)C1 ZINC001605998553 973077322 /nfs/dbraw/zinc/07/73/22/973077322.db2.gz MJQKHKHWPFESSG-GOSISDBHSA-N -1 3 376.497 3.219 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc(Cl)cc3)o2)C1 ZINC001605998867 973082082 /nfs/dbraw/zinc/08/20/82/973082082.db2.gz OUAILKAYFOMMNL-PBHICJAKSA-N -1 3 378.856 3.057 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CC[C@@H](COc4ccccc4)C3)o2)C1 ZINC001605999490 973087965 /nfs/dbraw/zinc/08/79/65/973087965.db2.gz UCTXXRXWFBXFOV-MSOLQXFVSA-N -1 3 384.476 3.482 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H](c3ccco3)N3CCCC3)o2)C1 ZINC001605999499 973088020 /nfs/dbraw/zinc/08/80/20/973088020.db2.gz UHUCABPFZCZBER-SJLPKXTDSA-N -1 3 387.480 3.100 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCc3cccc(C(F)(F)F)n3)o2)C1 ZINC001605999566 973088657 /nfs/dbraw/zinc/08/86/57/973088657.db2.gz VNWJRYIKWIFFJS-ZDUSSCGKSA-N -1 3 397.397 3.327 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN[C@H]3CCCN(c4ccccc4)C3)o2)C1 ZINC001605999574 973088718 /nfs/dbraw/zinc/08/87/18/973088718.db2.gz VPNNLWUYONMMLK-ROUUACIJSA-N -1 3 383.492 3.339 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCc3cccc(C(F)(F)F)n3)o2)C1 ZINC001605999565 973088942 /nfs/dbraw/zinc/08/89/42/973088942.db2.gz VNWJRYIKWIFFJS-CYBMUJFWSA-N -1 3 397.397 3.327 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCCNc3cccc(F)c3)o2)C1 ZINC001605999651 973089669 /nfs/dbraw/zinc/08/96/69/973089669.db2.gz WRLHAFJLFPXHSK-OAHLLOKOSA-N -1 3 375.444 3.312 20 0 GGADHM Cc1csc([C@H]2CCN(Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380041 973335301 /nfs/dbraw/zinc/33/53/01/973335301.db2.gz ARCGJGLWXCCBAG-LSDHHAIUSA-N -1 3 375.494 3.335 20 0 GGADHM Cc1csc(C[C@H]2CCN(Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380573 973338717 /nfs/dbraw/zinc/33/87/17/973338717.db2.gz KXSGJYDWBUCOAB-CVEARBPZSA-N -1 3 389.521 3.410 20 0 GGADHM O=C([O-])CCC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001606126275 973369658 /nfs/dbraw/zinc/36/96/58/973369658.db2.gz WTCQDMNTUOAQRD-SFHVURJKSA-N -1 3 394.462 3.247 20 0 GGADHM O=C([O-])CCC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001606126274 973370056 /nfs/dbraw/zinc/37/00/56/973370056.db2.gz WTCQDMNTUOAQRD-GOSISDBHSA-N -1 3 394.462 3.247 20 0 GGADHM O=C([O-])CN1CCCC[C@H](NCc2cccc(Oc3ccc(F)cc3)c2)C1=O ZINC001606258247 973608691 /nfs/dbraw/zinc/60/86/91/973608691.db2.gz AQUIPHQLKLYIQC-IBGZPJMESA-N -1 3 386.423 3.173 20 0 GGADHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3cc4ccnc(Cl)c4s3)C2)cn1 ZINC001605487931 973612111 /nfs/dbraw/zinc/61/21/11/973612111.db2.gz BADONGFLJWCGOI-STQMWFEESA-N -1 3 390.896 3.374 20 0 GGADHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3cc4ccnc(Cl)c4s3)C2)cn1 ZINC001605487928 973612364 /nfs/dbraw/zinc/61/23/64/973612364.db2.gz BADONGFLJWCGOI-CHWSQXEVSA-N -1 3 390.896 3.374 20 0 GGADHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3cc4ccnc(Cl)c4s3)C2)cn1 ZINC001605487930 973612460 /nfs/dbraw/zinc/61/24/60/973612460.db2.gz BADONGFLJWCGOI-QWHCGFSZSA-N -1 3 390.896 3.374 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404197207 973709553 /nfs/dbraw/zinc/70/95/53/973709553.db2.gz GEIRGONQNXRAOQ-RTBURBONSA-N -1 3 386.517 3.230 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001603609625 973875411 /nfs/dbraw/zinc/87/54/11/973875411.db2.gz LDKMGEOEBADCDF-SFHVURJKSA-N -1 3 384.423 3.147 20 0 GGADHM CCCC[C@](C)(N[C@@H]1CCN(CC(=O)[O-])C1=O)c1cccc(Br)c1 ZINC001603640921 973986485 /nfs/dbraw/zinc/98/64/85/973986485.db2.gz LVYJLOZWLMTOMT-QAPCUYQASA-N -1 3 397.313 3.130 20 0 GGADHM COc1ccc([C@@H](O)C2CCN(CCOc3ccccc3C(=O)[O-])CC2)cc1 ZINC001604772414 973991885 /nfs/dbraw/zinc/99/18/85/973991885.db2.gz KABRJJSMGJUBMB-OAQYLSRUSA-N -1 3 385.460 3.218 20 0 GGADHM COc1ccc([C@H](O)C2CCN(CCOc3ccccc3C(=O)[O-])CC2)cc1 ZINC001604772413 973992184 /nfs/dbraw/zinc/99/21/84/973992184.db2.gz KABRJJSMGJUBMB-NRFANRHFSA-N -1 3 385.460 3.218 20 0 GGADHM CC1CCN([C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])c2cccs2)CC1 ZINC000424385453 974023762 /nfs/dbraw/zinc/02/37/62/974023762.db2.gz GFAVVXWZAKPUEH-OAHLLOKOSA-N -1 3 381.542 3.321 20 0 GGADHM COc1cccc([C@@H](CNC(=O)Nc2ccccc2C(=O)[O-])N2CCCC2)c1 ZINC001604857088 974101096 /nfs/dbraw/zinc/10/10/96/974101096.db2.gz PNRNRAQWIFJKNQ-LJQANCHMSA-N -1 3 383.448 3.352 20 0 GGADHM COc1ccccc1O[C@@H](C)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001604896799 974151739 /nfs/dbraw/zinc/15/17/39/974151739.db2.gz DXDMBJXNUIJSDC-HOTGVXAUSA-N -1 3 388.464 3.146 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001603733212 974173488 /nfs/dbraw/zinc/17/34/88/974173488.db2.gz RTUSVZMOVXBHQX-OAHLLOKOSA-N -1 3 389.418 3.252 20 0 GGADHM CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603760308 974203665 /nfs/dbraw/zinc/20/36/65/974203665.db2.gz LKTUMOIZQXYOKJ-HJCTWCACSA-N -1 3 398.459 3.210 20 0 GGADHM CO[C@@H]1CCN(Cc2c(C)cc(C)nc2OCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000514798197 974292522 /nfs/dbraw/zinc/29/25/22/974292522.db2.gz GZEBOJHOHWUJPE-UYAOXDASSA-N -1 3 384.476 3.341 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(CC2CC2)C2CCC2)c(C(=O)[O-])c1C ZINC001603823657 974308678 /nfs/dbraw/zinc/30/86/78/974308678.db2.gz GJYNVIJWZLIXON-UHFFFAOYSA-N -1 3 394.493 3.134 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(CC2CCC2)C(C)C)c(C(=O)[O-])c1C ZINC001603824075 974311985 /nfs/dbraw/zinc/31/19/85/974311985.db2.gz WKHQUMQDISVGPN-UHFFFAOYSA-N -1 3 396.509 3.380 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C12CCC2 ZINC001603825687 974320796 /nfs/dbraw/zinc/32/07/96/974320796.db2.gz JPTOQQBMIQBHMT-BPQIPLTHSA-N -1 3 376.497 3.360 20 0 GGADHM COc1ccc(CC[C@H]2CCCCN2Cc2cnc(C(=O)[O-])cn2)cc1OC ZINC000530162367 974358443 /nfs/dbraw/zinc/35/84/43/974358443.db2.gz NHMIZAUMMLFRGV-QGZVFWFLSA-N -1 3 385.464 3.179 20 0 GGADHM O=C([O-])c1ccc(F)c2c1CN(C[C@@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000530167346 974360562 /nfs/dbraw/zinc/36/05/62/974360562.db2.gz ADOUWVNUQLDPSW-SFHVURJKSA-N -1 3 398.478 3.173 20 0 GGADHM COc1cccc(CN(CCOc2ccccc2C(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000556139048 974487391 /nfs/dbraw/zinc/48/73/91/974487391.db2.gz RQPJRDLXWSGRHC-IBGZPJMESA-N -1 3 385.460 3.453 20 0 GGADHM COc1cccc(CN(CCOc2ccccc2C(=O)[O-])C[C@H]2CCCO2)c1 ZINC000556139049 974487900 /nfs/dbraw/zinc/48/79/00/974487900.db2.gz RQPJRDLXWSGRHC-LJQANCHMSA-N -1 3 385.460 3.453 20 0 GGADHM CCn1c2ccccc2c2cc(CN[C@H]3CCCCN(CC(=O)[O-])C3=O)ccc21 ZINC001604007197 974513519 /nfs/dbraw/zinc/51/35/19/974513519.db2.gz XWZXMGRELRPVMO-IBGZPJMESA-N -1 3 393.487 3.370 20 0 GGADHM CN(C)[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccs1 ZINC001604054762 974588118 /nfs/dbraw/zinc/58/81/18/974588118.db2.gz ZXUCJZKPWHLPKZ-HOCLYGCPSA-N -1 3 377.510 3.035 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001604064605 974599734 /nfs/dbraw/zinc/59/97/34/974599734.db2.gz QGMSBBRPRLMSIC-UHFFFAOYSA-N -1 3 384.263 3.077 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001604067440 974603367 /nfs/dbraw/zinc/60/33/67/974603367.db2.gz MJINMFNQVNQKTM-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000566366467 974611822 /nfs/dbraw/zinc/61/18/22/974611822.db2.gz CEQYRFDPAFNDGO-GOSISDBHSA-N -1 3 379.378 3.365 20 0 GGADHM O=C([O-])c1cccc2c1CCN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000566509349 974615181 /nfs/dbraw/zinc/61/51/81/974615181.db2.gz SHJFCODPCUGUML-INIZCTEOSA-N -1 3 379.378 3.365 20 0 GGADHM CC(C)Oc1ccc2nccc(N3CCC[C@@H](n4cc(C(=O)[O-])nn4)C3)c2c1 ZINC000567983479 974652213 /nfs/dbraw/zinc/65/22/13/974652213.db2.gz JESLMKHCLUDVBN-CQSZACIVSA-N -1 3 381.436 3.153 20 0 GGADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)c12 ZINC000570399496 974709828 /nfs/dbraw/zinc/70/98/28/974709828.db2.gz DTKHZUZQDUHORJ-BLLLJJGKSA-N -1 3 396.516 3.361 20 0 GGADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CN(Cc4ccccc4)C[C@H]3C)c12 ZINC000570399502 974710095 /nfs/dbraw/zinc/71/00/95/974710095.db2.gz DTKHZUZQDUHORJ-MLGOLLRUSA-N -1 3 396.516 3.361 20 0 GGADHM COc1cccc(OC)c1OC1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC000570403021 974710886 /nfs/dbraw/zinc/71/08/86/974710886.db2.gz FLGKHGSGMGHGGM-QGZVFWFLSA-N -1 3 377.462 3.434 20 0 GGADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CN(Cc4ccccc4)C[C@H]3C)c12 ZINC000570399503 974711079 /nfs/dbraw/zinc/71/10/79/974711079.db2.gz DTKHZUZQDUHORJ-WBMJQRKESA-N -1 3 396.516 3.361 20 0 GGADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000571454930 974729449 /nfs/dbraw/zinc/72/94/49/974729449.db2.gz GDEKVKGMHHTGKC-UHFFFAOYSA-N -1 3 395.459 3.095 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000571571467 974732734 /nfs/dbraw/zinc/73/27/34/974732734.db2.gz SZQAXAZOHDOPCZ-WMLDXEAASA-N -1 3 396.270 3.245 20 0 GGADHM COc1ccc(C[C@@H](C)CN(C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000572848538 974755423 /nfs/dbraw/zinc/75/54/23/974755423.db2.gz ODYWDLNKMZFTMJ-IAGOWNOFSA-N -1 3 398.503 3.209 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2ccn(CCc3ccccc3)n2)C[C@@H]1c1ccccc1 ZINC000573259308 974762849 /nfs/dbraw/zinc/76/28/49/974762849.db2.gz QSRKGFKWNMIXQD-FGZHOGPDSA-N -1 3 375.472 3.426 20 0 GGADHM CCc1ccc([C@H]2CCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000576481010 974816222 /nfs/dbraw/zinc/81/62/22/974816222.db2.gz YCBQZNCVFGMQNB-KKSFZXQISA-N -1 3 380.488 3.441 20 0 GGADHM CCc1ccc([C@@H]2CCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000576481007 974816312 /nfs/dbraw/zinc/81/63/12/974816312.db2.gz YCBQZNCVFGMQNB-IIBYNOLFSA-N -1 3 380.488 3.441 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)N(C)C)cc1 ZINC000626763465 975069635 /nfs/dbraw/zinc/06/96/35/975069635.db2.gz JPUMMPNPRQQUBX-DBVUQKKJSA-N -1 3 389.540 3.240 20 0 GGADHM COc1ccc(OCCCN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000629367534 975085119 /nfs/dbraw/zinc/08/51/19/975085119.db2.gz NTTKFYJLFOYXBF-UHFFFAOYSA-N -1 3 376.478 3.498 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000630224619 975171895 /nfs/dbraw/zinc/17/18/95/975171895.db2.gz ARCADDADTSXFMB-ZDUSSCGKSA-N -1 3 386.414 3.206 20 0 GGADHM O=C([O-])CC1(NCc2coc(-c3ccccc3C(F)(F)F)n2)CCOCC1 ZINC000635016597 975282615 /nfs/dbraw/zinc/28/26/15/975282615.db2.gz AHBCWMBOVSLCKN-UHFFFAOYSA-N -1 3 384.354 3.474 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000650504726 975444829 /nfs/dbraw/zinc/44/48/29/975444829.db2.gz AAQAWIKZKLAKRX-AZUAARDMSA-N -1 3 388.508 3.468 20 0 GGADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000650504439 975445432 /nfs/dbraw/zinc/44/54/32/975445432.db2.gz NJWQYAODZPJLHH-RTWAWAEBSA-N -1 3 380.488 3.416 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000652407439 975524327 /nfs/dbraw/zinc/52/43/27/975524327.db2.gz UZMYQQDOBXLMFN-INIZCTEOSA-N -1 3 398.478 3.483 20 0 GGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCCn1ccnc1C)CC2 ZINC000652452760 975539434 /nfs/dbraw/zinc/53/94/34/975539434.db2.gz OSPRMXRDKXRTQM-GOSISDBHSA-N -1 3 387.480 3.063 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1C1CC1 ZINC000652514954 975572517 /nfs/dbraw/zinc/57/25/17/975572517.db2.gz IKBZWXIMLCRXFW-UONOGXRCSA-N -1 3 381.354 3.298 20 0 GGADHM COc1ccc(-c2nc(CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cs2)c(OC)c1 ZINC000652515291 975573465 /nfs/dbraw/zinc/57/34/65/975573465.db2.gz XCGWSOCRMUKGSX-DLBZAZTESA-N -1 3 388.489 3.370 20 0 GGADHM Cc1cccc(S(=O)(=O)CCCN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000656767529 975701295 /nfs/dbraw/zinc/70/12/95/975701295.db2.gz SDPQGXNRGPQBLR-GBESFXJTSA-N -1 3 379.522 3.124 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659751716 975858898 /nfs/dbraw/zinc/85/88/98/975858898.db2.gz AHDMXYDTXLNPMG-UHFFFAOYSA-N -1 3 390.867 3.007 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC001591772938 975909716 /nfs/dbraw/zinc/90/97/16/975909716.db2.gz PNJDNWBDJIPWGD-FQEVSTJZSA-N -1 3 384.476 3.134 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)Cc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001591772957 975909945 /nfs/dbraw/zinc/90/99/45/975909945.db2.gz PXAXWVUMFDUENY-HXUWFJFHSA-N -1 3 384.476 3.134 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC001591776684 975924868 /nfs/dbraw/zinc/92/48/68/975924868.db2.gz GYUAVMYKYSLUGT-HXUWFJFHSA-N -1 3 384.476 3.134 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591776830 975927156 /nfs/dbraw/zinc/92/71/56/975927156.db2.gz NMNYGMRVXAGIHO-OAHLLOKOSA-N -1 3 376.478 3.266 20 0 GGADHM Cc1nn(C)c2ncc(CN[C@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cc12 ZINC000663261567 975940001 /nfs/dbraw/zinc/94/00/01/975940001.db2.gz LJKJNZZRLBNWMR-HNNXBMFYSA-N -1 3 378.354 3.211 20 0 GGADHM CC(C)Oc1cccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC001591792328 975997620 /nfs/dbraw/zinc/99/76/20/975997620.db2.gz XZOKNWSDDKXMOG-SFHVURJKSA-N -1 3 392.496 3.370 20 0 GGADHM CC(C)Oc1cccc(CNC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001591797086 976012973 /nfs/dbraw/zinc/01/29/73/976012973.db2.gz WLGJAHPPEXZXNQ-IIBYNOLFSA-N -1 3 384.476 3.142 20 0 GGADHM CC(C)n1cnnc1[C@@H]1CCCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001592148088 977007162 /nfs/dbraw/zinc/00/71/62/977007162.db2.gz AYTQINCMYHQGLR-RUJXFNLJSA-N -1 3 384.480 3.215 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccccc1OC(F)F ZINC001592267943 977518942 /nfs/dbraw/zinc/51/89/42/977518942.db2.gz IOLFFRFKNGBORL-GFCCVEGCSA-N -1 3 378.375 3.493 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccccc1OC(F)F ZINC001592267944 977519378 /nfs/dbraw/zinc/51/93/78/977519378.db2.gz IOLFFRFKNGBORL-LBPRGKRZSA-N -1 3 378.375 3.493 20 0 GGADHM C[C@](CC(=O)[O-])(NCCC(=O)Nc1ccc(Cl)cc1F)c1ccccn1 ZINC001592319381 977710181 /nfs/dbraw/zinc/71/01/81/977710181.db2.gz UYLMHDIBIFSGAT-GOSISDBHSA-N -1 3 379.819 3.182 20 0 GGADHM C[C@@](CC(=O)[O-])(NCc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC001592328943 977749915 /nfs/dbraw/zinc/74/99/15/977749915.db2.gz PEPMGTZXRFTREB-SFHVURJKSA-N -1 3 391.265 3.028 20 0 GGADHM C[C@](CC(=O)[O-])(NCc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC001592330493 977766606 /nfs/dbraw/zinc/76/66/06/977766606.db2.gz UQYLCFMQAQOUSJ-MRXNPFEDSA-N -1 3 380.242 3.232 20 0 GGADHM CC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1C[C@H](C)O ZINC000736945933 978368745 /nfs/dbraw/zinc/36/87/45/978368745.db2.gz ZUMOKOIIUMGXQJ-STQMWFEESA-N -1 3 380.485 3.016 20 0 GGADHM C[C@@H](CN1CCCC1=O)NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001592617218 978586072 /nfs/dbraw/zinc/58/60/72/978586072.db2.gz NDEWJPWLLAXIOE-INIZCTEOSA-N -1 3 382.460 3.064 20 0 GGADHM COc1cccc([C@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)N2CCCC2)c1 ZINC000743411873 978678323 /nfs/dbraw/zinc/67/83/23/978678323.db2.gz BCWHBRPRBNHEKZ-IBGZPJMESA-N -1 3 388.508 3.374 20 0 GGADHM COc1ccc([C@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)N2CCCC2)cc1 ZINC000743414058 978679018 /nfs/dbraw/zinc/67/90/18/978679018.db2.gz QSZHLEAYBDTKHF-IBGZPJMESA-N -1 3 388.508 3.374 20 0 GGADHM COc1ccc(CN[C@H](CC(=O)[O-])Cc2ccccc2)c(Br)c1O ZINC000756385734 978700218 /nfs/dbraw/zinc/70/02/18/978700218.db2.gz SGRXNPQTCYFCOB-AWEZNQCLSA-N -1 3 394.265 3.339 20 0 GGADHM C[C@@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]2CCCC[C@H]12 ZINC000828289873 978978652 /nfs/dbraw/zinc/97/86/52/978978652.db2.gz ONWNEKCBOQIJOV-OLMNPRSZSA-N -1 3 385.464 3.012 20 0 GGADHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001592688568 979129386 /nfs/dbraw/zinc/12/93/86/979129386.db2.gz DVJSZRQGLJFGIB-LBPRGKRZSA-N -1 3 393.459 3.361 20 0 GGADHM C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001592688567 979129510 /nfs/dbraw/zinc/12/95/10/979129510.db2.gz DVJSZRQGLJFGIB-GFCCVEGCSA-N -1 3 393.459 3.361 20 0 GGADHM CC[C@H](CC(F)(F)F)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001595039870 979217968 /nfs/dbraw/zinc/21/79/68/979217968.db2.gz WMVOOBKIJNFPQE-QAPCUYQASA-N -1 3 386.414 3.201 20 0 GGADHM C[C@@](CO)(NCCOc1ccccc1C(=O)[O-])c1cccc(Br)c1 ZINC001592749626 979303770 /nfs/dbraw/zinc/30/37/70/979303770.db2.gz LMIGEDGQJOSDFQ-SFHVURJKSA-N -1 3 394.265 3.023 20 0 GGADHM C[C@](CO)(NCCOc1ccccc1C(=O)[O-])c1cccc(Br)c1 ZINC001592749624 979304646 /nfs/dbraw/zinc/30/46/46/979304646.db2.gz LMIGEDGQJOSDFQ-GOSISDBHSA-N -1 3 394.265 3.023 20 0 GGADHM C[C@](CO)(NCCOc1cccc(C(=O)[O-])c1)c1cccc(Br)c1 ZINC001592750860 979317350 /nfs/dbraw/zinc/31/73/50/979317350.db2.gz WBQJBEXUEPCQHQ-GOSISDBHSA-N -1 3 394.265 3.023 20 0 GGADHM COc1ccccc1OCCN(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000846237399 979417447 /nfs/dbraw/zinc/41/74/47/979417447.db2.gz HGQXJOMSMZXQJI-UHFFFAOYSA-N -1 3 379.840 3.436 20 0 GGADHM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000846244060 979421225 /nfs/dbraw/zinc/42/12/25/979421225.db2.gz SLJWXKZQDFCCFT-YOEHRIQHSA-N -1 3 387.398 3.491 20 0 GGADHM CCC(CC)[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1 ZINC001595107108 979438189 /nfs/dbraw/zinc/43/81/89/979438189.db2.gz ZJRMRFNUDGIZLH-GOSISDBHSA-N -1 3 375.513 3.354 20 0 GGADHM COc1ccc(OCc2nc(CN3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])cs2)cc1 ZINC000846278743 979446015 /nfs/dbraw/zinc/44/60/15/979446015.db2.gz SYMQQWIYRYWZDR-IXDGSTSKSA-N -1 3 388.489 3.416 20 0 GGADHM CCC(CC)N(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001595114624 979466408 /nfs/dbraw/zinc/46/64/08/979466408.db2.gz SVQSXXWUTXSUMC-UHFFFAOYSA-N -1 3 382.482 3.133 20 0 GGADHM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc(NC2=NCCC2)cc1)C(=O)[O-] ZINC001592848718 979632202 /nfs/dbraw/zinc/63/22/02/979632202.db2.gz UNLCCQJZQWITIS-NRFANRHFSA-N -1 3 383.423 3.246 20 0 GGADHM C[C@@H](CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816370 979647300 /nfs/dbraw/zinc/64/73/00/979647300.db2.gz CHLAPOVCHYIOSW-WFASDCNBSA-N -1 3 393.285 3.179 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC)N1CCc2ccccc2C1 ZINC001595152844 979649506 /nfs/dbraw/zinc/64/95/06/979649506.db2.gz PQYLBNKCJMGDSQ-GOSISDBHSA-N -1 3 397.475 3.352 20 0 GGADHM C[C@@](Cc1ccccc1)(NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001592891844 979785243 /nfs/dbraw/zinc/78/52/43/979785243.db2.gz OFPJTAXRLXJWCD-QHCPKHFHSA-N -1 3 389.455 3.466 20 0 GGADHM Cc1cc(C)n2c(CN[C@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cnc2n1 ZINC000871620964 979960593 /nfs/dbraw/zinc/96/05/93/979960593.db2.gz POECKLSBAYYKRL-HNNXBMFYSA-N -1 3 378.354 3.280 20 0 GGADHM O=C([O-])[C@H](CC(F)F)NCc1cc(Br)ccc1Br ZINC000900037847 980239202 /nfs/dbraw/zinc/23/92/02/980239202.db2.gz NMENVIBSNPTJSE-VIFPVBQESA-N -1 3 387.018 3.410 20 0 GGADHM Cc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000901417148 980263067 /nfs/dbraw/zinc/26/30/67/980263067.db2.gz HPUNAXKXQMSAHW-UHFFFAOYSA-N -1 3 396.487 3.161 20 0 GGADHM O=C([O-])COc1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000901427894 980274064 /nfs/dbraw/zinc/27/40/64/980274064.db2.gz BDHDWOOKODAPDO-UHFFFAOYSA-N -1 3 386.423 3.140 20 0 GGADHM O=C([O-])c1cccc2c(CN3CCC(NC(=O)c4ccsc4)CC3)ccnc12 ZINC000901428364 980274252 /nfs/dbraw/zinc/27/42/52/980274252.db2.gz YRCCOZWBVVCBPG-UHFFFAOYSA-N -1 3 395.484 3.389 20 0 GGADHM CC[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1OCC(=O)NC ZINC001595277500 980306354 /nfs/dbraw/zinc/30/63/54/980306354.db2.gz VYDSMPDUBPXNAW-VQIMIIECSA-N -1 3 390.867 3.331 20 0 GGADHM COc1ccc(OCc2ccccn2)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000901499650 980317646 /nfs/dbraw/zinc/31/76/46/980317646.db2.gz OBXSRGBZVWPUNX-IBGZPJMESA-N -1 3 382.460 3.356 20 0 GGADHM COc1cc(Br)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(OC)c1 ZINC000901501086 980319287 /nfs/dbraw/zinc/31/92/87/980319287.db2.gz RPGIQAHCSIIFEE-CYBMUJFWSA-N -1 3 384.270 3.153 20 0 GGADHM CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595282107 980340831 /nfs/dbraw/zinc/34/08/31/980340831.db2.gz UXMQEOPFNCJQIZ-IFXJQAMLSA-N -1 3 390.505 3.437 20 0 GGADHM O=C([O-])C[C@]1(NCc2nc3ccc(Br)cc3s2)CCCOC1 ZINC000901523994 980345746 /nfs/dbraw/zinc/34/57/46/980345746.db2.gz LYHJAKYNIWMBRQ-OAHLLOKOSA-N -1 3 385.283 3.172 20 0 GGADHM O=C([O-])C[C@@]1(NCc2nc3ccc(Br)cc3s2)CCCOC1 ZINC000901523991 980345795 /nfs/dbraw/zinc/34/57/95/980345795.db2.gz LYHJAKYNIWMBRQ-HNNXBMFYSA-N -1 3 385.283 3.172 20 0 GGADHM Cc1cc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1Oc1cccnc1 ZINC000901526337 980351861 /nfs/dbraw/zinc/35/18/61/980351861.db2.gz UUGZQFOSUYJHBI-KRWDZBQOSA-N -1 3 393.447 3.309 20 0 GGADHM O=C([O-])c1cn(C2CCN(Cc3ccc(SC(F)(F)F)cc3)CC2)nn1 ZINC000901527163 980354146 /nfs/dbraw/zinc/35/41/46/980354146.db2.gz ZZFWGWIWAOKLGW-UHFFFAOYSA-N -1 3 386.399 3.425 20 0 GGADHM CC[C@@H](NCc1ccc(C)c(C(=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC001595299692 980430222 /nfs/dbraw/zinc/43/02/22/980430222.db2.gz CEYJDSAKVVWWBW-LJQANCHMSA-N -1 3 384.476 3.401 20 0 GGADHM CCOCCCN(Cc1cn2ccc(Br)cc2n1)C[C@H](C)C(=O)[O-] ZINC000901682753 980447414 /nfs/dbraw/zinc/44/74/14/980447414.db2.gz UBSNCUGADQRNLC-ZDUSSCGKSA-N -1 3 398.301 3.046 20 0 GGADHM CCCCC[C@@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000901721613 980464590 /nfs/dbraw/zinc/46/45/90/980464590.db2.gz IOYYRHXRVCJQIE-CQSZACIVSA-N -1 3 381.274 3.153 20 0 GGADHM CO[C@@H]1CCC[C@H]([C@H](NCc2ncc(Br)cc2Cl)C(=O)[O-])C1 ZINC000901763223 980495792 /nfs/dbraw/zinc/49/57/92/980495792.db2.gz RNUIKUWHFSFHED-PXWWUCIGSA-N -1 3 391.693 3.246 20 0 GGADHM O=C([O-])c1ccc(CNC2CCN(c3nccs3)CC2)c(Br)c1 ZINC000901781516 980511737 /nfs/dbraw/zinc/51/17/37/980511737.db2.gz PDBXZIBRSPCEHG-UHFFFAOYSA-N -1 3 396.310 3.362 20 0 GGADHM O=C([O-])C1(CNCc2cn(-c3ccccc3Br)nn2)CCCCC1 ZINC000901785239 980514878 /nfs/dbraw/zinc/51/48/78/980514878.db2.gz WZKHLACCQVOIBQ-UHFFFAOYSA-N -1 3 393.285 3.155 20 0 GGADHM CC[C@@](O)(CN(CC(=O)[O-])Cc1cccc(Br)c1)C(F)(F)F ZINC001595326304 980537425 /nfs/dbraw/zinc/53/74/25/980537425.db2.gz IXPKWYLAZDTDRR-CYBMUJFWSA-N -1 3 384.192 3.039 20 0 GGADHM Cc1cc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)ncc1Br ZINC000901824522 980544467 /nfs/dbraw/zinc/54/44/67/980544467.db2.gz AAJJXWXQEXBEBC-GOSISDBHSA-N -1 3 375.266 3.381 20 0 GGADHM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000901842148 980561858 /nfs/dbraw/zinc/56/18/58/980561858.db2.gz IPSLGAMIMJXPLD-IERDGZPVSA-N -1 3 394.450 3.459 20 0 GGADHM C[C@H](NCc1ncc(Br)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901871693 980584108 /nfs/dbraw/zinc/58/41/08/980584108.db2.gz FXHFPKGAWSOAGH-SMDDNHRTSA-N -1 3 381.245 3.405 20 0 GGADHM COc1ccc(-c2nc(CN[C@@H](C[C@H]3CCCOC3)C(=O)[O-])cs2)cc1 ZINC000901928778 980634183 /nfs/dbraw/zinc/63/41/83/980634183.db2.gz NPWYGMZJDKFEKX-DYVFJYSZSA-N -1 3 376.478 3.178 20 0 GGADHM O=C([O-])CN(Cc1cc(OC(F)F)ccc1Br)C1CCOCC1 ZINC000901984146 980664102 /nfs/dbraw/zinc/66/41/02/980664102.db2.gz KOZRFJROOOSALS-UHFFFAOYSA-N -1 3 394.212 3.116 20 0 GGADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cccc3n[nH]cc31)CC2 ZINC000902001890 980679364 /nfs/dbraw/zinc/67/93/64/980679364.db2.gz WMWYRFCTLSHKDR-SFHVURJKSA-N -1 3 381.432 3.154 20 0 GGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000902007064 980685332 /nfs/dbraw/zinc/68/53/32/980685332.db2.gz JHBWVUOJZPLQBX-IOASZLSFSA-N -1 3 396.281 3.296 20 0 GGADHM Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])cnc12 ZINC000902010278 980688693 /nfs/dbraw/zinc/68/86/93/980688693.db2.gz CORZRNRQCSYEPF-NILFDRSVSA-N -1 3 378.270 3.090 20 0 GGADHM CO[C@@H]1CCN(Cc2ccc(Br)c3cccnc23)[C@@H](C(=O)[O-])C1 ZINC000902031139 980702198 /nfs/dbraw/zinc/70/21/98/980702198.db2.gz HUILLRDNNQZKPK-IUODEOHRSA-N -1 3 379.254 3.061 20 0 GGADHM CCN(CC)C(=O)C1(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)CCCCC1 ZINC000902158493 980761294 /nfs/dbraw/zinc/76/12/94/980761294.db2.gz CRCSTKRJNMRKFX-MRXNPFEDSA-N -1 3 376.497 3.199 20 0 GGADHM O=C([O-])c1cc(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)on1 ZINC000902177434 980770656 /nfs/dbraw/zinc/77/06/56/980770656.db2.gz JWOFGLNNKJZTJO-UHFFFAOYSA-N -1 3 384.354 3.230 20 0 GGADHM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001595368310 980825297 /nfs/dbraw/zinc/82/52/97/980825297.db2.gz FUEBNQOEYDCCEQ-OAQYLSRUSA-N -1 3 377.481 3.484 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1Cl ZINC000902386665 980865886 /nfs/dbraw/zinc/86/58/86/980865886.db2.gz BVVZUACJVDJPGR-HHXXYDBFSA-N -1 3 384.863 3.285 20 0 GGADHM Cc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc(C)c1OCC(=O)[O-] ZINC000902426389 980880953 /nfs/dbraw/zinc/88/09/53/980880953.db2.gz YKEWLUYLIUUATG-WZQKQDCOSA-N -1 3 375.490 3.355 20 0 GGADHM CC[C@@]1(O)CCCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001595392206 980950806 /nfs/dbraw/zinc/95/08/06/980950806.db2.gz ASCSWRYCAHXYFD-OAQYLSRUSA-N -1 3 389.448 3.302 20 0 GGADHM O=C([O-])c1cccc(CN2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c1 ZINC000903419129 980959941 /nfs/dbraw/zinc/95/99/41/980959941.db2.gz YAUJYOKEFSBLRD-UHFFFAOYSA-N -1 3 396.422 3.424 20 0 GGADHM COc1ccc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(Br)c1OC ZINC000903611839 980992341 /nfs/dbraw/zinc/99/23/41/980992341.db2.gz TWDHOTKMLZRLTK-SJCJKPOMSA-N -1 3 384.270 3.153 20 0 GGADHM O=C([O-])c1ccc2c(c1)CCN(C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000903617402 980995634 /nfs/dbraw/zinc/99/56/34/980995634.db2.gz WDHVXFLFOYTOCE-QGZVFWFLSA-N -1 3 379.378 3.365 20 0 GGADHM Cn1ccc([C@@H]2CCCN([C@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903630996 981006688 /nfs/dbraw/zinc/00/66/88/981006688.db2.gz JFQADFSSOXRCOC-CJNGLKHVSA-N -1 3 378.270 3.188 20 0 GGADHM Cn1ccc([C@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631362 981008023 /nfs/dbraw/zinc/00/80/23/981008023.db2.gz RDOSFMFIBIXXFF-BLLLJJGKSA-N -1 3 378.270 3.188 20 0 GGADHM CC[C@@H]1C[C@H](CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCO1 ZINC001595412073 981009044 /nfs/dbraw/zinc/00/90/44/981009044.db2.gz AKUBNNOXFBOKHK-ATZDWAIDSA-N -1 3 380.916 3.289 20 0 GGADHM CC[C@@H]1C[C@@H](CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCO1 ZINC001595412075 981009363 /nfs/dbraw/zinc/00/93/63/981009363.db2.gz AKUBNNOXFBOKHK-IPELMVKDSA-N -1 3 380.916 3.289 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903707112 981017048 /nfs/dbraw/zinc/01/70/48/981017048.db2.gz LPQDJNZBEUQWEN-GFCCVEGCSA-N -1 3 381.354 3.062 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903707113 981017079 /nfs/dbraw/zinc/01/70/79/981017079.db2.gz LPQDJNZBEUQWEN-LBPRGKRZSA-N -1 3 381.354 3.062 20 0 GGADHM COc1cc(CN2CCC[C@@H]3COCC[C@@H]32)c(Br)cc1C(=O)[O-] ZINC000903899345 981028185 /nfs/dbraw/zinc/02/81/85/981028185.db2.gz YGFREYLAUXURGM-ABAIWWIYSA-N -1 3 384.270 3.157 20 0 GGADHM O=C([O-])c1cnc([C@@H]2CCN(C[C@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924035 981040626 /nfs/dbraw/zinc/04/06/26/981040626.db2.gz HASUHFAFQLBONJ-MFKMUULPSA-N -1 3 386.395 3.383 20 0 GGADHM O=C([O-])c1cnc([C@H]2CCN(C[C@@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924034 981040827 /nfs/dbraw/zinc/04/08/27/981040827.db2.gz HASUHFAFQLBONJ-GXFFZTMASA-N -1 3 386.395 3.383 20 0 GGADHM COc1cc(CN2CCN(C)C[C@H]2CC(C)C)c(Br)cc1C(=O)[O-] ZINC000903943363 981067115 /nfs/dbraw/zinc/06/71/15/981067115.db2.gz JBUMQTSURCZBGG-CQSZACIVSA-N -1 3 399.329 3.318 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc2c1CCOC2)c1cccc(Br)c1 ZINC000904000473 981079791 /nfs/dbraw/zinc/07/97/91/981079791.db2.gz TUDSLCRJWMYGSB-KRWDZBQOSA-N -1 3 376.250 3.437 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)nc2)C[C@H]1c1ccc(Br)cc1 ZINC000905717877 981121699 /nfs/dbraw/zinc/12/16/99/981121699.db2.gz GLYGNIZIHMMSGS-LSDHHAIUSA-N -1 3 379.229 3.283 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000905736741 981129895 /nfs/dbraw/zinc/12/98/95/981129895.db2.gz CSVPBWFWJQTSNG-UHFFFAOYSA-N -1 3 388.537 3.299 20 0 GGADHM Cc1nn(-c2ccccc2F)cc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905747844 981135004 /nfs/dbraw/zinc/13/50/04/981135004.db2.gz CLJUCLHWBASIQI-ZDUSSCGKSA-N -1 3 386.452 3.464 20 0 GGADHM COc1ccc(-n2cc(CN3CC[C@H](c4ncc(C(=O)[O-])s4)C3)cn2)cc1 ZINC000905748365 981136187 /nfs/dbraw/zinc/13/61/87/981136187.db2.gz GLPLAWSTDXZWTF-AWEZNQCLSA-N -1 3 384.461 3.025 20 0 GGADHM C[C@@H](Oc1ccc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775262 981149270 /nfs/dbraw/zinc/14/92/70/981149270.db2.gz LNJSCGPPKMDOQH-TZMCWYRMSA-N -1 3 395.381 3.337 20 0 GGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484366 981219538 /nfs/dbraw/zinc/21/95/38/981219538.db2.gz QFUISKOYRFEVNH-DENIHFKCSA-N -1 3 398.503 3.426 20 0 GGADHM CCc1ccc([C@H](CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)N(C)C)cc1 ZINC000907789694 981220425 /nfs/dbraw/zinc/22/04/25/981220425.db2.gz HXVJKBFGCDFFAB-JTAQYXEDSA-N -1 3 380.488 3.226 20 0 GGADHM O=C([O-])[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@H]1c1ccccc1 ZINC000907791840 981220514 /nfs/dbraw/zinc/22/05/14/981220514.db2.gz YEIRZFIBDIZQOH-MIZPHKNDSA-N -1 3 378.472 3.198 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000907798705 981222067 /nfs/dbraw/zinc/22/20/67/981222067.db2.gz IKEXYMLKGULDJY-ZJSXRUAMSA-N -1 3 392.499 3.288 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)NCc3cc(C(=O)[O-])c4n3CCCC4)ccc2NC1=O ZINC001595499502 981264434 /nfs/dbraw/zinc/26/44/34/981264434.db2.gz KIWNRKUAGJVKPL-DJJJIMSYSA-N -1 3 397.475 3.483 20 0 GGADHM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000908146720 981268330 /nfs/dbraw/zinc/26/83/30/981268330.db2.gz FDGPFBPMMXKMDV-UHFFFAOYSA-N -1 3 380.444 3.015 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595529375 981362806 /nfs/dbraw/zinc/36/28/06/981362806.db2.gz OXJIONSEZIMILX-CXAGYDPISA-N -1 3 386.414 3.459 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529584 981364863 /nfs/dbraw/zinc/36/48/63/981364863.db2.gz ZVVUHQSRHFOPEY-CXAGYDPISA-N -1 3 386.414 3.459 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2)CC1 ZINC000909108482 981418977 /nfs/dbraw/zinc/41/89/77/981418977.db2.gz JAUIYXRJXCACGY-UHFFFAOYSA-N -1 3 385.439 3.307 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909137290 981426127 /nfs/dbraw/zinc/42/61/27/981426127.db2.gz PZVKINOKWHRHGU-IBGZPJMESA-N -1 3 384.451 3.395 20 0 GGADHM C[C@H](C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])N1CCCCCC1 ZINC000909262433 981450772 /nfs/dbraw/zinc/45/07/72/981450772.db2.gz SPGGIGMLZFNRPU-DYESRHJHSA-N -1 3 382.504 3.464 20 0 GGADHM CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595573785 981489802 /nfs/dbraw/zinc/48/98/02/981489802.db2.gz URGSWCYLPXYXED-NOZJJQNGSA-N -1 3 377.268 3.017 20 0 GGADHM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000909505040 981513499 /nfs/dbraw/zinc/51/34/99/981513499.db2.gz AIIUGQTXRNNIMA-UHFFFAOYSA-N -1 3 396.487 3.408 20 0 GGADHM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000909512063 981518909 /nfs/dbraw/zinc/51/89/09/981518909.db2.gz AHAFHUDSHGCVHK-UHFFFAOYSA-N -1 3 396.487 3.458 20 0 GGADHM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000909518978 981525567 /nfs/dbraw/zinc/52/55/67/981525567.db2.gz FPMNMUTWCADKBM-VQIMIIECSA-N -1 3 381.476 3.196 20 0 GGADHM C[C@@](CNC(=O)c1cccc(CN2CCCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000909602090 981550270 /nfs/dbraw/zinc/55/02/70/981550270.db2.gz SYVDJSOMNLVZBE-QHCPKHFHSA-N -1 3 380.488 3.445 20 0 GGADHM COc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c(C(=O)[O-])c1 ZINC000909614464 981551544 /nfs/dbraw/zinc/55/15/44/981551544.db2.gz WVOFVOAYJYJTQM-UHFFFAOYSA-N -1 3 397.475 3.176 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909731831 981585441 /nfs/dbraw/zinc/58/54/41/981585441.db2.gz AYAAESGJRXJHRC-INIZCTEOSA-N -1 3 386.423 3.383 20 0 GGADHM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001594740653 981603793 /nfs/dbraw/zinc/60/37/93/981603793.db2.gz PVADHKFPCRLANH-RTWAWAEBSA-N -1 3 395.503 3.186 20 0 GGADHM CN(C(=O)c1cccc(CN2CCCCC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000909785740 981621190 /nfs/dbraw/zinc/62/11/90/981621190.db2.gz YELQUPWRIQZRIA-UHFFFAOYSA-N -1 3 382.460 3.413 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC000909791966 981629152 /nfs/dbraw/zinc/62/91/52/981629152.db2.gz XBCAWIHKYRZYMU-NQIIRXRSSA-N -1 3 380.488 3.441 20 0 GGADHM C[C@H]1CC[C@H](C)N1CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000909807457 981634952 /nfs/dbraw/zinc/63/49/52/981634952.db2.gz IETNLXIIURIELD-KBPBESRZSA-N -1 3 397.313 3.125 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)cc2)CC1 ZINC000909833400 981650846 /nfs/dbraw/zinc/65/08/46/981650846.db2.gz IORRHRTWDAPGGQ-INIZCTEOSA-N -1 3 381.476 3.269 20 0 GGADHM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000909834290 981652539 /nfs/dbraw/zinc/65/25/39/981652539.db2.gz MKSXXYJGMYSQLT-SFHVURJKSA-N -1 3 395.503 3.416 20 0 GGADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000909839686 981661275 /nfs/dbraw/zinc/66/12/75/981661275.db2.gz JBCKCFNHRPLLGH-KRWDZBQOSA-N -1 3 381.476 3.026 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(CC(=O)[O-])c(F)c3)cc2)CC1 ZINC000909846158 981671823 /nfs/dbraw/zinc/67/18/23/981671823.db2.gz JOWWSJAJMPENQW-UHFFFAOYSA-N -1 3 399.466 3.236 20 0 GGADHM CCC[C@H]1[C@@H](C)CCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595619985 981684253 /nfs/dbraw/zinc/68/42/53/981684253.db2.gz SSNUZUZEOXFYQO-GUYCJALGSA-N -1 3 376.453 3.011 20 0 GGADHM O=C([O-])c1cccc2c1CN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000909868427 981691226 /nfs/dbraw/zinc/69/12/26/981691226.db2.gz HQTRYHNFOJWAFH-SFHVURJKSA-N -1 3 396.462 3.321 20 0 GGADHM CCC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Br)c2)CCN1CCOC ZINC001595625694 981751215 /nfs/dbraw/zinc/75/12/15/981751215.db2.gz YECDPNNXUXYWOU-DLBZAZTESA-N -1 3 399.329 3.008 20 0 GGADHM O=C([O-])c1cnc(C2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)s1 ZINC000910213301 981787618 /nfs/dbraw/zinc/78/76/18/981787618.db2.gz ZJHCODNUTUGTKJ-UHFFFAOYSA-N -1 3 399.516 3.457 20 0 GGADHM Cc1nc2scc(CC(C)C)c2c(N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC000910455850 981941152 /nfs/dbraw/zinc/94/11/52/981941152.db2.gz JVAOSIRWJJGIFF-ZDUSSCGKSA-N -1 3 376.526 3.183 20 0 GGADHM Cc1nc2sc3c(c2c(N2CCN(CCC(=O)[O-])C[C@H]2C)n1)CC[C@H](C)C3 ZINC000910459348 981943468 /nfs/dbraw/zinc/94/34/68/981943468.db2.gz YEZADTRTEIPFAP-QWHCGFSZSA-N -1 3 388.537 3.110 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000910471202 981950489 /nfs/dbraw/zinc/95/04/89/981950489.db2.gz AGBIXUWHHUTIPD-DQLDELGASA-N -1 3 396.462 3.467 20 0 GGADHM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000910500132 981966007 /nfs/dbraw/zinc/96/60/07/981966007.db2.gz KFRWNGKUNLHILH-FQEVSTJZSA-N -1 3 396.462 3.321 20 0 GGADHM C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000910568822 981995722 /nfs/dbraw/zinc/99/57/22/981995722.db2.gz UGDVAMBHDXKZPC-LAUBAEHRSA-N -1 3 386.536 3.479 20 0 GGADHM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000910568826 981996131 /nfs/dbraw/zinc/99/61/31/981996131.db2.gz UGDVAMBHDXKZPC-UWJYYQICSA-N -1 3 386.536 3.479 20 0 GGADHM O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)nc2C1 ZINC000910678809 982053865 /nfs/dbraw/zinc/05/38/65/982053865.db2.gz YQXLCMHBKKLSFL-CVEARBPZSA-N -1 3 399.516 3.183 20 0 GGADHM CC[C@](C)(NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001594848687 982081648 /nfs/dbraw/zinc/08/16/48/982081648.db2.gz KQSKDADVGXGSJI-NRFANRHFSA-N -1 3 384.432 3.025 20 0 GGADHM CC[C@@](C)(NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)C(=O)[O-] ZINC001594852435 982094914 /nfs/dbraw/zinc/09/49/14/982094914.db2.gz LNYPTAYKFABHMX-LJQANCHMSA-N -1 3 375.494 3.284 20 0 GGADHM CC[C@@H](C)[C@H](C(=O)OC)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872826 982189624 /nfs/dbraw/zinc/18/96/24/982189624.db2.gz GGNJLWWKIOFLCV-MSQAHXEGSA-N -1 3 398.297 3.137 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911043722 982208453 /nfs/dbraw/zinc/20/84/53/982208453.db2.gz BXPHYTLQFQDWNM-GFCCVEGCSA-N -1 3 399.472 3.279 20 0 GGADHM CCCCCC[C@](O)(CN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)C(=O)[O-] ZINC001595696455 982228665 /nfs/dbraw/zinc/22/86/65/982228665.db2.gz IWAUPDXTUZEVHJ-FQEVSTJZSA-N -1 3 386.533 3.104 20 0 GGADHM CCCCCC[C@](O)(CN1CCC[C@]2(CC(=O)c3ccccc3O2)C1)C(=O)[O-] ZINC001595696441 982229155 /nfs/dbraw/zinc/22/91/55/982229155.db2.gz IMBIBSZXYODLQK-VXKWHMMOSA-N -1 3 389.492 3.273 20 0 GGADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C1CC1 ZINC001594880887 982232254 /nfs/dbraw/zinc/23/22/54/982232254.db2.gz GPSDCCONOFRYDH-STQMWFEESA-N -1 3 376.453 3.009 20 0 GGADHM CCCCCC[C@](O)(CN1CCN([C@@H](C)c2ccc(F)cc2F)CC1)C(=O)[O-] ZINC001595696737 982233922 /nfs/dbraw/zinc/23/39/22/982233922.db2.gz LJMMOCHRXLWNNV-KKSFZXQISA-N -1 3 398.494 3.430 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])N(C)C)cc1 ZINC000911105098 982239598 /nfs/dbraw/zinc/23/95/98/982239598.db2.gz OZDWDSSUBAAMNP-HXUWFJFHSA-N -1 3 393.487 3.390 20 0 GGADHM COc1cccc([C@@H](CNC(=O)CCc2ccccc2C(=O)[O-])N2CCCC2)c1 ZINC000911106705 982241286 /nfs/dbraw/zinc/24/12/86/982241286.db2.gz NGUOPLXLFYOLPA-OAQYLSRUSA-N -1 3 396.487 3.279 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC000911131968 982252539 /nfs/dbraw/zinc/25/25/39/982252539.db2.gz DACOTRYREOWTGR-VJIACCKLSA-N -1 3 386.448 3.199 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cccc(OC)c1 ZINC000911133093 982253147 /nfs/dbraw/zinc/25/31/47/982253147.db2.gz TYSIURNIXQXRKH-NCUBBLFSSA-N -1 3 386.448 3.199 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000911152144 982261130 /nfs/dbraw/zinc/26/11/30/982261130.db2.gz YZDVFOCBIWYWAQ-UHFFFAOYSA-N -1 3 376.840 3.368 20 0 GGADHM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000911167427 982265356 /nfs/dbraw/zinc/26/53/56/982265356.db2.gz SPLPWSYERLTMHA-QGZVFWFLSA-N -1 3 391.471 3.142 20 0 GGADHM O=C([O-])c1cn(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)c2ccccc12 ZINC000911195730 982279240 /nfs/dbraw/zinc/27/92/40/982279240.db2.gz BFPYWZSJDLJEMS-HXUWFJFHSA-N -1 3 391.471 3.293 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000911200923 982281690 /nfs/dbraw/zinc/28/16/90/982281690.db2.gz FMOJPZNWYUKRTK-UHFFFAOYSA-N -1 3 397.450 3.069 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911201811 982282473 /nfs/dbraw/zinc/28/24/73/982282473.db2.gz NJBHUOGTNOBAMV-UHFFFAOYSA-N -1 3 378.831 3.381 20 0 GGADHM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000911204689 982284233 /nfs/dbraw/zinc/28/42/33/982284233.db2.gz DMFGPYWZQHKQJS-UHFFFAOYSA-N -1 3 388.851 3.247 20 0 GGADHM CCCN(C(=O)CCSCC(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911227746 982300865 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O=C([O-])c1cncc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000911362790 982379920 /nfs/dbraw/zinc/37/99/20/982379920.db2.gz OPYFGVZWWXOONY-UHFFFAOYSA-N -1 3 387.867 3.171 20 0 GGADHM O=C([O-])C12CCC(C(=O)NCC3(N4CCSCC4)CCCCC3)(CC1)CC2 ZINC000911376299 982392836 /nfs/dbraw/zinc/39/28/36/982392836.db2.gz GXAIYIZCJKPLNC-UHFFFAOYSA-N -1 3 394.581 3.280 20 0 GGADHM CCCCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ncsc2C1 ZINC001595741080 982399828 /nfs/dbraw/zinc/39/98/28/982399828.db2.gz BDNBOUWQKRQHAB-MRXNPFEDSA-N -1 3 387.505 3.439 20 0 GGADHM O=C([O-])c1cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc2[nH]ccc21 ZINC000911386883 982410817 /nfs/dbraw/zinc/41/08/17/982410817.db2.gz KMWOIGNDBFNMKK-HNNXBMFYSA-N -1 3 378.432 3.112 20 0 GGADHM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000911387376 982411983 /nfs/dbraw/zinc/41/19/83/982411983.db2.gz QHGUFIXDSIUPQI-KRWDZBQOSA-N -1 3 391.471 3.189 20 0 GGADHM CCOc1cc(C(=O)Nc2ccc(CN(C)C)cc2F)ccc1OCC(=O)[O-] ZINC000911509468 982464272 /nfs/dbraw/zinc/46/42/72/982464272.db2.gz SHFVUQYDXVWWGG-UHFFFAOYSA-N -1 3 390.411 3.002 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000911551344 982493183 /nfs/dbraw/zinc/49/31/83/982493183.db2.gz OFLHFKZSQDHJJW-QGZVFWFLSA-N -1 3 384.476 3.017 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)c2)CC1 ZINC000911552948 982494587 /nfs/dbraw/zinc/49/45/87/982494587.db2.gz QOJBLPWQQZQAJP-SREVYHEPSA-N -1 3 383.448 3.160 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)c2)CC1 ZINC000911553574 982495730 /nfs/dbraw/zinc/49/57/30/982495730.db2.gz ZEEPZWGZCSBOMI-UHFFFAOYSA-N -1 3 385.508 3.192 20 0 GGADHM CCCCO[C@H]1C[C@@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1(C)C ZINC001595769625 982498695 /nfs/dbraw/zinc/49/86/95/982498695.db2.gz COYMWGKPHPYGPF-CABCVRRESA-N -1 3 394.537 3.447 20 0 GGADHM CCCCO[C@H]1C[C@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1(C)C ZINC001595769627 982498779 /nfs/dbraw/zinc/49/87/79/982498779.db2.gz COYMWGKPHPYGPF-GJZGRUSLSA-N -1 3 394.537 3.447 20 0 GGADHM CCCCO[C@@H]1C[C@@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1(C)C ZINC001595769629 982498847 /nfs/dbraw/zinc/49/88/47/982498847.db2.gz COYMWGKPHPYGPF-HUUCEWRRSA-N -1 3 394.537 3.447 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594930973 982559082 /nfs/dbraw/zinc/55/90/82/982559082.db2.gz DYKSONWLZTYTRH-GUYCJALGSA-N -1 3 376.453 3.011 20 0 GGADHM CC[C@H](C)[C@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594930974 982559218 /nfs/dbraw/zinc/55/92/18/982559218.db2.gz DYKSONWLZTYTRH-SUMWQHHRSA-N -1 3 376.453 3.011 20 0 GGADHM CC[C@H](C)C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001594939938 982611868 /nfs/dbraw/zinc/61/18/68/982611868.db2.gz VZFMLZVOIOWYCJ-USXIJHARSA-N -1 3 382.451 3.149 20 0 GGADHM CC[C@H](C)C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001594939937 982612297 /nfs/dbraw/zinc/61/22/97/982612297.db2.gz VZFMLZVOIOWYCJ-UAGQMJEPSA-N -1 3 382.451 3.149 20 0 GGADHM CC(C)Oc1c(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cccc1C(=O)[O-] ZINC000911737755 982619970 /nfs/dbraw/zinc/61/99/70/982619970.db2.gz JBFTWHCFDKIOSP-QGZVFWFLSA-N -1 3 397.475 3.418 20 0 GGADHM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911772091 982641754 /nfs/dbraw/zinc/64/17/54/982641754.db2.gz DXTDXPGOERVNHE-UIAACRFSSA-N -1 3 384.451 3.021 20 0 GGADHM CC[C@@H](C)C[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001594953093 982677061 /nfs/dbraw/zinc/67/70/61/982677061.db2.gz NCXNDKYGTUGMFZ-BXKDBHETSA-N -1 3 379.213 3.409 20 0 GGADHM CCCN(C(=O)NC1CC(CC(=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595820149 982684877 /nfs/dbraw/zinc/68/48/77/982684877.db2.gz CKIRTQTXLYGYFP-SOAGJPPSSA-N -1 3 387.524 3.326 20 0 GGADHM CCCN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595823004 982696168 /nfs/dbraw/zinc/69/61/68/982696168.db2.gz UUQMTMALVXDVFD-UXHICEINSA-N -1 3 385.508 3.246 20 0 GGADHM CCCN(C(=O)Nc1cc(C(=O)[O-])nn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595823109 982697517 /nfs/dbraw/zinc/69/75/17/982697517.db2.gz SMMDWMPPLNBRKT-KRWDZBQOSA-N -1 3 399.495 3.027 20 0 GGADHM C[C@H](C(=O)NCCc1ccccc1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000923125596 982744210 /nfs/dbraw/zinc/74/42/10/982744210.db2.gz DEKNUTLARZWVAC-GOSISDBHSA-N -1 3 394.515 3.387 20 0 GGADHM CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001595846508 982774220 /nfs/dbraw/zinc/77/42/20/982774220.db2.gz UUASBBTWUDWJMF-LMMKCTJWSA-N -1 3 382.545 3.052 20 0 GGADHM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCCCC1 ZINC000923172867 982821075 /nfs/dbraw/zinc/82/10/75/982821075.db2.gz DNHPSTLBYHTEMA-UXHICEINSA-N -1 3 387.524 3.081 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923532186 982865467 /nfs/dbraw/zinc/86/54/67/982865467.db2.gz NXBQMDNNZYNTIE-KWCYVHTRSA-N -1 3 380.872 3.027 20 0 GGADHM CC[C@@H](C)N[C@@H](CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccco1 ZINC001594994675 982881145 /nfs/dbraw/zinc/88/11/45/982881145.db2.gz OTMHRLFNBDIAGV-KDOFPFPSSA-N -1 3 385.464 3.175 20 0 GGADHM CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccco1 ZINC001594994673 982881834 /nfs/dbraw/zinc/88/18/34/982881834.db2.gz ORUXFHJVDJRLKC-WBMJQRKESA-N -1 3 377.416 3.046 20 0 GGADHM CC[C@H](C)Sc1ccc(NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001595006630 982923973 /nfs/dbraw/zinc/92/39/73/982923973.db2.gz YTVKTDZUQBMZGV-LSDHHAIUSA-N -1 3 379.526 3.366 20 0 GGADHM CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c(C)c1 ZINC001595006627 982924097 /nfs/dbraw/zinc/92/40/97/982924097.db2.gz YTVKTDZUQBMZGV-CABCVRRESA-N -1 3 379.526 3.366 20 0 GGADHM CCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@H]1CCN(C)C1 ZINC001596150783 983511054 /nfs/dbraw/zinc/51/10/54/983511054.db2.gz OMJMGVSASOMOBB-NSHDSACASA-N -1 3 384.274 3.014 20 0 GGADHM CCN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596157662 983518778 /nfs/dbraw/zinc/51/87/78/983518778.db2.gz CQNAHXQITCIFII-IBGZPJMESA-N -1 3 397.475 3.278 20 0 GGADHM CCN(C(=O)c1ccccc1CCC(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001596171087 983536758 /nfs/dbraw/zinc/53/67/58/983536758.db2.gz USKHXLYTKDQHJU-FQEVSTJZSA-N -1 3 380.488 3.440 20 0 GGADHM CCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CCCCC1 ZINC001596211805 983602519 /nfs/dbraw/zinc/60/25/19/983602519.db2.gz ALAHQHSGSRGFJA-UHFFFAOYSA-N -1 3 382.482 3.134 20 0 GGADHM CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001596228955 983620926 /nfs/dbraw/zinc/62/09/26/983620926.db2.gz YONUEBPHYKSCAJ-FUHWJXTLSA-N -1 3 383.492 3.361 20 0 GGADHM CCN(CC)C(=O)CCC1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001596243743 983643764 /nfs/dbraw/zinc/64/37/64/983643764.db2.gz RFHITIKTGFTNPH-UHFFFAOYSA-N -1 3 375.513 3.451 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc(OC)c1 ZINC001596254393 983662768 /nfs/dbraw/zinc/66/27/68/983662768.db2.gz MGVXWGBJDDJBEJ-OTWHNJEPSA-N -1 3 376.497 3.085 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc(OC)c1 ZINC001596254392 983662820 /nfs/dbraw/zinc/66/28/20/983662820.db2.gz MGVXWGBJDDJBEJ-IPMKNSEASA-N -1 3 376.497 3.085 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC001596254538 983663686 /nfs/dbraw/zinc/66/36/86/983663686.db2.gz SCKNHFQIIZTYAN-GOSISDBHSA-N -1 3 389.521 3.371 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)C12CC(C(=O)[O-])(C1)C2)c1ccc(C(F)(F)F)cc1 ZINC001596254738 983665053 /nfs/dbraw/zinc/66/50/53/983665053.db2.gz YZZRTHSOXOLOFQ-MNNVXMFVSA-N -1 3 398.425 3.459 20 0 GGADHM CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001596278352 983699545 /nfs/dbraw/zinc/69/95/45/983699545.db2.gz VXZOJOOYTOHEFC-UHFFFAOYSA-N -1 3 376.478 3.336 20 0 GGADHM CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001596278373 983699980 /nfs/dbraw/zinc/69/99/80/983699980.db2.gz XCBRYLQMKHAJFY-JLHYYAGUSA-N -1 3 388.489 3.427 20 0 GGADHM CCN(CCC(=O)[O-])CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001596314428 983743236 /nfs/dbraw/zinc/74/32/36/983743236.db2.gz QQCRAQBVTMBNSY-LJQANCHMSA-N -1 3 393.487 3.213 20 0 GGADHM CCN1CC[C@@H](N(C)S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C[C@@H]1C ZINC001596407221 983976126 /nfs/dbraw/zinc/97/61/26/983976126.db2.gz BGXCUAWMIXPFTA-WMLDXEAASA-N -1 3 390.505 3.031 20 0 GGADHM CCN1CC[C@H](NCc2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410627 984002781 /nfs/dbraw/zinc/00/27/81/984002781.db2.gz RPNCHPQTNXDDKT-ROUUACIJSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H](C)C1 ZINC001596436648 984123247 /nfs/dbraw/zinc/12/32/47/984123247.db2.gz YGJQNESTQXGBOI-GFCCVEGCSA-N -1 3 397.306 3.403 20 0 GGADHM CCN1CCN(c2ccc(NCc3ccccc3O[C@H](C)C(=O)[O-])cc2)CC1 ZINC001596441857 984130946 /nfs/dbraw/zinc/13/09/46/984130946.db2.gz DPZVEPZHOADALB-QGZVFWFLSA-N -1 3 383.492 3.293 20 0 GGADHM CCNC(=O)C[C@H]1CCCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC001596456751 984164502 /nfs/dbraw/zinc/16/45/02/984164502.db2.gz ABMYIQINQOEVHH-CQSZACIVSA-N -1 3 383.286 3.028 20 0 GGADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001596594933 984545967 /nfs/dbraw/zinc/54/59/67/984545967.db2.gz ZCVKFGMIZOCUEF-KRWDZBQOSA-N -1 3 386.448 3.322 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC001599894770 984739164 /nfs/dbraw/zinc/73/91/64/984739164.db2.gz ZMYXGRLQKXJASO-NSHDSACASA-N -1 3 388.295 3.245 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(C(=O)CN(CC(C)C)CC(C)(C)C(=O)[O-])c1C ZINC001596690753 984796415 /nfs/dbraw/zinc/79/64/15/984796415.db2.gz PLECGKSPGSVRIF-UHFFFAOYSA-N -1 3 380.485 3.060 20 0 GGADHM C[C@H](NCCOc1ccc(C(=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC001599902366 984862944 /nfs/dbraw/zinc/86/29/44/984862944.db2.gz ZJJMQVKSAASOQJ-LBPRGKRZSA-N -1 3 397.880 3.171 20 0 GGADHM CCOC(=O)c1cnn(C2CCN(Cc3ccc(C)c(C(=O)[O-])c3)CC2)c1C ZINC001596743756 985057290 /nfs/dbraw/zinc/05/72/90/985057290.db2.gz JSAUGEWOQJXTLM-UHFFFAOYSA-N -1 3 385.464 3.212 20 0 GGADHM C[C@H]1CN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599919419 985109458 /nfs/dbraw/zinc/10/94/58/985109458.db2.gz APHGZUCVTLHZDV-SBUREZEXSA-N -1 3 395.503 3.118 20 0 GGADHM CCOC(=O)c1nn(-c2ccccc2)cc1CN1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001596754855 985118033 /nfs/dbraw/zinc/11/80/33/985118033.db2.gz WMEARRFJRTUMIL-VGOFRKELSA-N -1 3 397.475 3.126 20 0 GGADHM CCOC(=O)c1oc2ccc(Br)cc2c1CN(C)[C@@H](C)C(=O)[O-] ZINC001596754936 985120408 /nfs/dbraw/zinc/12/04/08/985120408.db2.gz BWQBTTLRDOBZRR-VIFPVBQESA-N -1 3 384.226 3.277 20 0 GGADHM CC(=O)NCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001589145995 985461936 /nfs/dbraw/zinc/46/19/36/985461936.db2.gz MVNFLABVDUCGRA-QGZVFWFLSA-N -1 3 380.366 3.257 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)[C@H]1n1cccn1 ZINC001596834235 985476509 /nfs/dbraw/zinc/47/65/09/985476509.db2.gz WTOHNJNGLYJJRY-XUWVNRHRSA-N -1 3 383.370 3.036 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2ccccc2O[C@@H](C)C(=O)[O-])[C@H]1Oc1ccccc1 ZINC001596836999 985489099 /nfs/dbraw/zinc/48/90/99/985489099.db2.gz HKCKBJPBFIEHMW-GDVKCFTOSA-N -1 3 385.460 3.253 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2ccccc2O[C@H](C)C(=O)[O-])[C@@H]1Oc1ccccc1 ZINC001596837002 985489199 /nfs/dbraw/zinc/48/91/99/985489199.db2.gz HKCKBJPBFIEHMW-OBUJGBQQSA-N -1 3 385.460 3.253 20 0 GGADHM CCO[C@H]1C[C@@](NCc2cc(OC)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596837117 985491134 /nfs/dbraw/zinc/49/11/34/985491134.db2.gz HHOFHYXUNFDYHM-WMLDXEAASA-N -1 3 386.286 3.206 20 0 GGADHM CCO[C@H]1C[C@@](NCc2cc(Br)cc(F)c2F)(C(=O)[O-])C1(C)C ZINC001596838769 985510733 /nfs/dbraw/zinc/51/07/33/985510733.db2.gz PGFUWRLZVYUTKY-BLLLJJGKSA-N -1 3 392.240 3.475 20 0 GGADHM Cc1[nH]c(C(=O)CNC2(Cc3ccc(F)cc3)CCOCC2)c(C)c1C(=O)[O-] ZINC001599947639 985556182 /nfs/dbraw/zinc/55/61/82/985556182.db2.gz RHWUXDYHHGLHEX-UHFFFAOYSA-N -1 3 388.439 3.033 20 0 GGADHM Cc1[nH]c(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599949640 985586340 /nfs/dbraw/zinc/58/63/40/985586340.db2.gz MHAOWSUBPDNJDA-GOSISDBHSA-N -1 3 383.492 3.455 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@H](C(=O)[O-])c3cc(C)cc(C)c3)cc(=O)oc2c1 ZINC001589204105 985657343 /nfs/dbraw/zinc/65/73/43/985657343.db2.gz IAWDXKRYZVTGNQ-NRFANRHFSA-N -1 3 394.427 3.284 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@@H](C(=O)[O-])c3ccc(C)c(C)c3)cc(=O)oc2c1 ZINC001589204299 985659779 /nfs/dbraw/zinc/65/97/79/985659779.db2.gz TYMZGFZFTJVQOM-OAQYLSRUSA-N -1 3 394.427 3.284 20 0 GGADHM Cc1[nH]c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(C)c1C(=O)[O-] ZINC001599954602 985665637 /nfs/dbraw/zinc/66/56/37/985665637.db2.gz KJZDCBHUHSAPGW-UHFFFAOYSA-N -1 3 384.480 3.112 20 0 GGADHM CCOC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001596884255 985765270 /nfs/dbraw/zinc/76/52/70/985765270.db2.gz JZQCXIJSKJGRCO-KRWDZBQOSA-N -1 3 378.856 3.236 20 0 GGADHM CCOC[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C(C)C ZINC001596890360 985809319 /nfs/dbraw/zinc/80/93/19/985809319.db2.gz ZKRPMKDHAVEXOH-ZDUSSCGKSA-N -1 3 377.268 3.281 20 0 GGADHM Cc1[nH]c(CN2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001599962470 985814954 /nfs/dbraw/zinc/81/49/54/985814954.db2.gz IBEXLYCGQXHLOQ-UHFFFAOYSA-N -1 3 377.485 3.244 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001589249364 985869853 /nfs/dbraw/zinc/86/98/53/985869853.db2.gz PWNRYBNHGBDSJQ-QIIPPGSGSA-N -1 3 384.476 3.327 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001589249363 985870212 /nfs/dbraw/zinc/87/02/12/985870212.db2.gz PWNRYBNHGBDSJQ-DHSIGJKJSA-N -1 3 384.476 3.327 20 0 GGADHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Cl)ccc1Br ZINC001594526019 986042183 /nfs/dbraw/zinc/04/21/83/986042183.db2.gz PUTAYKUZVNRNGK-NSHDSACASA-N -1 3 375.694 3.083 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Cl)ccc1Br ZINC001594526017 986042544 /nfs/dbraw/zinc/04/25/44/986042544.db2.gz PUTAYKUZVNRNGK-LLVKDONJSA-N -1 3 375.694 3.083 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001594532162 986128926 /nfs/dbraw/zinc/12/89/26/986128926.db2.gz VACDINYAYDKJTB-OYEJSCKISA-N -1 3 389.492 3.463 20 0 GGADHM C[C@H]1CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532097 986129164 /nfs/dbraw/zinc/12/91/64/986129164.db2.gz TYXXQMVWMQJFQG-DLENHJPASA-N -1 3 380.488 3.370 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594532161 986129540 /nfs/dbraw/zinc/12/95/40/986129540.db2.gz VACDINYAYDKJTB-LLNNVJIESA-N -1 3 389.492 3.463 20 0 GGADHM C[C@@H](Oc1ccccc1CNCc1cccc(CN2CCO[C@H](C)C2)c1)C(=O)[O-] ZINC001594542951 986190861 /nfs/dbraw/zinc/19/08/61/986190861.db2.gz WNCGGCKRLZAJTE-QZTJIDSGSA-N -1 3 398.503 3.049 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544147 986197900 /nfs/dbraw/zinc/19/79/00/986197900.db2.gz DLIBFSAICMBRLH-IERDGZPVSA-N -1 3 386.517 3.312 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001594544587 986200904 /nfs/dbraw/zinc/20/09/04/986200904.db2.gz KSLAFCLVRWFYSK-QGZVFWFLSA-N -1 3 397.475 3.136 20 0 GGADHM CCO[C@@H]1CN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001596975011 986211509 /nfs/dbraw/zinc/21/15/09/986211509.db2.gz RKSXHFBIVTYGBC-SQWLQELKSA-N -1 3 396.484 3.209 20 0 GGADHM CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001596974981 986211570 /nfs/dbraw/zinc/21/15/70/986211570.db2.gz RAFKPNDJXVTAIC-CHWSQXEVSA-N -1 3 375.252 3.177 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594548414 986238237 /nfs/dbraw/zinc/23/82/37/986238237.db2.gz ULBACGZACXSVJD-HZPDHXFCSA-N -1 3 378.476 3.356 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594548415 986239489 /nfs/dbraw/zinc/23/94/89/986239489.db2.gz ULBACGZACXSVJD-JKSUJKDBSA-N -1 3 378.476 3.356 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349341 986300456 /nfs/dbraw/zinc/30/04/56/986300456.db2.gz GDMATJSWCFLUIY-XJKSGUPXSA-N -1 3 398.425 3.206 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001589349727 986302306 /nfs/dbraw/zinc/30/23/06/986302306.db2.gz KGEDCYPIYUVYQF-YJBOKZPZSA-N -1 3 383.492 3.059 20 0 GGADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001597016963 986388964 /nfs/dbraw/zinc/38/89/64/986388964.db2.gz OQPURWCIYMAFDD-KRWDZBQOSA-N -1 3 389.427 3.347 20 0 GGADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC001597021399 986411116 /nfs/dbraw/zinc/41/11/16/986411116.db2.gz YFUNAWSNVUADHA-UHFFFAOYSA-N -1 3 397.475 3.353 20 0 GGADHM CCOc1cc(CN2CC[C@@H](C)[C@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030410 986444520 /nfs/dbraw/zinc/44/45/20/986444520.db2.gz AKAIFKHRTRVMCC-RHSMWYFYSA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN2C[C@H](O)C[C@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031259 986449069 /nfs/dbraw/zinc/44/90/69/986449069.db2.gz KPXKPYIIZJLOCW-GOEBONIOSA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)ccc1OC(=O)CC ZINC001597035291 986469865 /nfs/dbraw/zinc/46/98/65/986469865.db2.gz FUOJXKDTKFILFY-FQEVSTJZSA-N -1 3 387.432 3.325 20 0 GGADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589389386 986503731 /nfs/dbraw/zinc/50/37/31/986503731.db2.gz ZMECYOLVRUXYLJ-SQGPQFPESA-N -1 3 380.488 3.323 20 0 GGADHM C[C@H]1COCCN1C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607776 986586661 /nfs/dbraw/zinc/58/66/61/986586661.db2.gz ZXYUZORUJQKOIQ-SJCJKPOMSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589431089 986723463 /nfs/dbraw/zinc/72/34/63/986723463.db2.gz DJFKOIMUBSCDEI-HOCLYGCPSA-N -1 3 384.480 3.227 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001589440493 986788078 /nfs/dbraw/zinc/78/80/78/986788078.db2.gz YPUDRLSRVPSAHR-HDMKZQKVSA-N -1 3 399.516 3.496 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001597230023 987182887 /nfs/dbraw/zinc/18/28/87/987182887.db2.gz IIJORGMRWUCROC-INIZCTEOSA-N -1 3 395.908 3.309 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-])c1ccccc1 ZINC001597349530 987485664 /nfs/dbraw/zinc/48/56/64/987485664.db2.gz NJADUCRKTDLONP-GUYCJALGSA-N -1 3 384.432 3.239 20 0 GGADHM CC[C@H](N[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)OC)c1ccccc1 ZINC001597349458 987485999 /nfs/dbraw/zinc/48/59/99/987485999.db2.gz JYSJJENSCWIAQS-DYVFJYSZSA-N -1 3 384.432 3.239 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)CCCn2ccc3cc(Cl)ccc32)CC1 ZINC001589622714 987506199 /nfs/dbraw/zinc/50/61/99/987506199.db2.gz IABUQVAWKDLICD-UHFFFAOYSA-N -1 3 391.899 3.082 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC001589627467 987520710 /nfs/dbraw/zinc/52/07/10/987520710.db2.gz AEDYZTKCJCYLPJ-UHFFFAOYSA-N -1 3 378.231 3.145 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC001589627510 987521953 /nfs/dbraw/zinc/52/19/53/987521953.db2.gz DAOWFCQFEVIQTI-UHFFFAOYSA-N -1 3 388.512 3.080 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC001589627805 987523671 /nfs/dbraw/zinc/52/36/71/987523671.db2.gz MUMTWSNLIUAFHT-UHFFFAOYSA-N -1 3 388.512 3.080 20 0 GGADHM CCc1[nH]c(CN2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1C(=O)[O-] ZINC001597383118 987581757 /nfs/dbraw/zinc/58/17/57/987581757.db2.gz BHEQJHNQYOTNTR-HXOBKFHXSA-N -1 3 397.519 3.141 20 0 GGADHM CCc1[nH]c(CNCc2cccc(-c3nc(C(=O)OC)cs3)c2)cc1C(=O)[O-] ZINC001597394748 987642874 /nfs/dbraw/zinc/64/28/74/987642874.db2.gz FQEFVDFDSASEOG-UHFFFAOYSA-N -1 3 399.472 3.475 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)N(C)C)cc1 ZINC001597512904 988102442 /nfs/dbraw/zinc/10/24/42/988102442.db2.gz HODMQQUJLOZZNI-GOSISDBHSA-N -1 3 395.463 3.248 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)N(C)C)cc1 ZINC001597513458 988111763 /nfs/dbraw/zinc/11/17/63/988111763.db2.gz VCZWIAPYVIBVFV-LJQANCHMSA-N -1 3 385.464 3.137 20 0 GGADHM CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001597530817 988188876 /nfs/dbraw/zinc/18/88/76/988188876.db2.gz QAXOSVPHTRPYLM-UHFFFAOYSA-N -1 3 381.904 3.478 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001589806142 988227269 /nfs/dbraw/zinc/22/72/69/988227269.db2.gz LQXNQOJLSXLYOC-FQEVSTJZSA-N -1 3 376.428 3.002 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001589806426 988229172 /nfs/dbraw/zinc/22/91/72/988229172.db2.gz ONTPKPPLSPVHHF-INIZCTEOSA-N -1 3 387.249 3.298 20 0 GGADHM CSc1ccc([C@H](CNC(=O)NCc2cc(C(=O)[O-])c(C)o2)N(C)C)cc1 ZINC001599811379 988341080 /nfs/dbraw/zinc/34/10/80/988341080.db2.gz DIBBUYWCPAJCFG-KRWDZBQOSA-N -1 3 391.493 3.110 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)NCc2cc(C(=O)[O-])c(C)o2)N(C)C)cc1 ZINC001599811382 988341709 /nfs/dbraw/zinc/34/17/09/988341709.db2.gz DIBBUYWCPAJCFG-QGZVFWFLSA-N -1 3 391.493 3.110 20 0 GGADHM CC(C)(C)OC(=O)C1(CCN2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])CCC1 ZINC001589854708 988391210 /nfs/dbraw/zinc/39/12/10/988391210.db2.gz GCELRHSSKHZCMX-QGZVFWFLSA-N -1 3 375.465 3.106 20 0 GGADHM CC(C)(C)OC(=O)C1(CCN2CCOc3ccccc3[C@@H]2C(=O)[O-])CCC1 ZINC001589855518 988398131 /nfs/dbraw/zinc/39/81/31/988398131.db2.gz ULQSTKHFPAISAE-QGZVFWFLSA-N -1 3 375.465 3.409 20 0 GGADHM CC(C)(C)OC(=O)C1(CCN2CCOc3ccccc3[C@H]2C(=O)[O-])CCC1 ZINC001589855517 988398257 /nfs/dbraw/zinc/39/82/57/988398257.db2.gz ULQSTKHFPAISAE-KRWDZBQOSA-N -1 3 375.465 3.409 20 0 GGADHM CSc1cccc(NC(=O)[C@H](C)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822868 988545245 /nfs/dbraw/zinc/54/52/45/988545245.db2.gz ZUFZPJOUMFYXDN-YCRPNKLZSA-N -1 3 384.501 3.464 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822866 988545639 /nfs/dbraw/zinc/54/56/39/988545639.db2.gz ZUFZPJOUMFYXDN-QVKFZJNVSA-N -1 3 384.501 3.464 20 0 GGADHM CSc1ccccc1OC[C@@H](O)CN(Cc1ccc(C(=O)[O-])n1C)C(C)C ZINC001599825092 988584330 /nfs/dbraw/zinc/58/43/30/988584330.db2.gz HGUNFDAXDGGASH-INIZCTEOSA-N -1 3 392.521 3.096 20 0 GGADHM CC(C)(C)OC(=O)N(CCCN1CCOc2ccccc2[C@H]1C(=O)[O-])C1CC1 ZINC001589905726 988618025 /nfs/dbraw/zinc/61/80/25/988618025.db2.gz NJYXSAAZDUWHLD-SFHVURJKSA-N -1 3 390.480 3.296 20 0 GGADHM CC(C)(C)OC(=O)N(CCN1CCC(O)(C2(C(=O)[O-])CCC2)CC1)C(C)(C)C ZINC001589906407 988622790 /nfs/dbraw/zinc/62/27/90/988622790.db2.gz ZIPZWTSNFNXPQA-UHFFFAOYSA-N -1 3 398.544 3.104 20 0 GGADHM CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001589929490 988685934 /nfs/dbraw/zinc/68/59/34/988685934.db2.gz CYHHFMOCNGRAIB-GDBMZVCRSA-N -1 3 396.434 3.315 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C/c1ccc(F)cc1)C[C@@H]2C(=O)[O-] ZINC001589947556 988736237 /nfs/dbraw/zinc/73/62/37/988736237.db2.gz GBZYCYOTJJWTTC-LAQIPUCWSA-N -1 3 390.455 3.092 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C\c1cccc(F)c1)C[C@@H]2C(=O)[O-] ZINC001589947596 988736346 /nfs/dbraw/zinc/73/63/46/988736346.db2.gz GGMGKXIDLFJTTD-XTKXOIQPSA-N -1 3 390.455 3.092 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C\c1cccc(F)c1)C[C@H]2C(=O)[O-] ZINC001589947595 988736631 /nfs/dbraw/zinc/73/66/31/988736631.db2.gz GGMGKXIDLFJTTD-WVRJYTFGSA-N -1 3 390.455 3.092 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972081 988808415 /nfs/dbraw/zinc/80/84/15/988808415.db2.gz QTQDVCFQVXIGBX-YOEHRIQHSA-N -1 3 377.485 3.324 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2OCC(=O)[O-])C12CCC2 ZINC001589981306 988851649 /nfs/dbraw/zinc/85/16/49/988851649.db2.gz CTSHIKQDBUTZOH-KRWDZBQOSA-N -1 3 390.480 3.172 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001589993647 988907264 /nfs/dbraw/zinc/90/72/64/988907264.db2.gz CURVOXXHKOBPBD-INIZCTEOSA-N -1 3 378.444 3.403 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(C(=O)[O-])cn3)C2)CC1 ZINC001590002556 988919783 /nfs/dbraw/zinc/91/97/83/988919783.db2.gz BADAYLYMQOEQJD-UHFFFAOYSA-N -1 3 375.469 3.003 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(/C=C/C(=O)[O-])o3)CC[C@H]21 ZINC001590004612 988944091 /nfs/dbraw/zinc/94/40/91/988944091.db2.gz LWUYPKUJIUMTPA-CMFPSAGXSA-N -1 3 376.453 3.209 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(/C=C\C(=O)[O-])o3)CC[C@H]21 ZINC001590004614 988944323 /nfs/dbraw/zinc/94/43/23/988944323.db2.gz LWUYPKUJIUMTPA-FIXGOIDJSA-N -1 3 376.453 3.209 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004966 988946592 /nfs/dbraw/zinc/94/65/92/988946592.db2.gz NFLUCVMFPZBMLM-WMLDXEAASA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005287 988951526 /nfs/dbraw/zinc/95/15/26/988951526.db2.gz PJSSWAFXZXPMBA-WBVHZDCISA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2CCOc2ccccc2C(=O)[O-])C1 ZINC001590006035 988957192 /nfs/dbraw/zinc/95/71/92/988957192.db2.gz ZMSVZNKHZYNYPH-NRFANRHFSA-N -1 3 390.480 3.239 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](CN2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC001590011146 988961643 /nfs/dbraw/zinc/96/16/43/988961643.db2.gz BIZGPUUSQWNODT-OAHLLOKOSA-N -1 3 390.480 3.226 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011287 988962587 /nfs/dbraw/zinc/96/25/87/988962587.db2.gz CHLXSZQHHSIPSG-GJZGRUSLSA-N -1 3 393.484 3.232 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN([C@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024484 989010778 /nfs/dbraw/zinc/01/07/78/989010778.db2.gz AAICOKPILCDBJT-JXFKEZNVSA-N -1 3 375.469 3.073 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NCc3cc(C(=O)[O-])co3)C(C)(C)[C@H]21 ZINC001590024806 989012847 /nfs/dbraw/zinc/01/28/47/989012847.db2.gz DGVPJDUWEMYYHY-OAGGEKHMSA-N -1 3 378.469 3.492 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NCc3cc(C(=O)[O-])co3)C(C)(C)[C@H]21 ZINC001590024808 989013003 /nfs/dbraw/zinc/01/30/03/989013003.db2.gz DGVPJDUWEMYYHY-PMPSAXMXSA-N -1 3 378.469 3.492 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc3ncccc3c2)[C@@H](C(=O)[O-])C1 ZINC001590034783 989051741 /nfs/dbraw/zinc/05/17/41/989051741.db2.gz MMSLAPJSFAHXMI-GOSISDBHSA-N -1 3 385.464 3.131 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C[C@H]2CC3(CO2)CCCCC3)[C@H](C(=O)[O-])C1 ZINC001590034978 989053592 /nfs/dbraw/zinc/05/35/92/989053592.db2.gz NWZPPCJECAMSGT-SJORKVTESA-N -1 3 396.528 3.122 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc3c(c2)CCCC3)[C@H](C(=O)[O-])C1 ZINC001590035453 989058673 /nfs/dbraw/zinc/05/86/73/989058673.db2.gz SZDMKWNRPZYIIU-IBGZPJMESA-N -1 3 388.508 3.461 20 0 GGADHM CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597736249 989085894 /nfs/dbraw/zinc/08/58/94/989085894.db2.gz ZRTSPYHNVAAUEG-ISTVAULSSA-N -1 3 396.900 3.133 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@]2(CNCc3ncc(C(=O)[O-])s3)CCC[C@@H]12 ZINC001590073697 989156341 /nfs/dbraw/zinc/15/63/41/989156341.db2.gz BEYAUEXOSNCATH-FZKQIMNGSA-N -1 3 381.498 3.111 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC001597762391 989195153 /nfs/dbraw/zinc/19/51/53/989195153.db2.gz FBKDRXHXZOQVMC-UHFFFAOYSA-N -1 3 395.463 3.110 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CN[C@@H](CC(=O)[O-])C(C)(C)C)sc2C1 ZINC001590085149 989201135 /nfs/dbraw/zinc/20/11/35/989201135.db2.gz RUMKCKPURQRMLS-AWEZNQCLSA-N -1 3 397.541 3.415 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001597763565 989206475 /nfs/dbraw/zinc/20/64/75/989206475.db2.gz ZBLUHUGMVRXOTN-UHFFFAOYSA-N -1 3 378.469 3.373 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc(C(=O)[O-])c(F)c3)C[C@]2(C)C1 ZINC001590091691 989210325 /nfs/dbraw/zinc/21/03/25/989210325.db2.gz SMFKCTSAXKXCIQ-VBKZILBWSA-N -1 3 378.444 3.213 20 0 GGADHM C[C@@H]1CN(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@H]1CC(=O)[O-] ZINC001599865331 989242021 /nfs/dbraw/zinc/24/20/21/989242021.db2.gz XMEWSFLTPIANHR-SJLPKXTDSA-N -1 3 393.487 3.362 20 0 GGADHM CCc1oc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1C(=O)[O-] ZINC001597800218 989390595 /nfs/dbraw/zinc/39/05/95/989390595.db2.gz ZAKCFZIZWYKIRR-CTNGQTDRSA-N -1 3 384.476 3.016 20 0 GGADHM CCc1oc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1C(=O)[O-] ZINC001597800229 989390789 /nfs/dbraw/zinc/39/07/89/989390789.db2.gz ZAKCFZIZWYKIRR-TZIWHRDSSA-N -1 3 384.476 3.016 20 0 GGADHM CCc1oc(CNC[C@@H](CO)Cc2ccccc2Br)cc1C(=O)[O-] ZINC001597801357 989393281 /nfs/dbraw/zinc/39/32/81/989393281.db2.gz APBIBBHCAIZAHS-LBPRGKRZSA-N -1 3 396.281 3.244 20 0 GGADHM CCc1oc(CNC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1C(=O)[O-] ZINC001597802244 989400030 /nfs/dbraw/zinc/40/00/30/989400030.db2.gz NEUJYPAVOFWGIL-SFHVURJKSA-N -1 3 392.883 3.357 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001590206721 989578963 /nfs/dbraw/zinc/57/89/63/989578963.db2.gz QNLGHSDDARVAMI-OAHLLOKOSA-N -1 3 385.464 3.422 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccoc2C(=O)[O-])C[C@H]1c1ccccc1 ZINC001590267317 989661979 /nfs/dbraw/zinc/66/19/79/989661979.db2.gz ACUJFJZOKQCMKQ-DLBZAZTESA-N -1 3 386.448 3.471 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc2c1CCN(C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C2 ZINC001590319261 989754017 /nfs/dbraw/zinc/75/40/17/989754017.db2.gz ZCLNJZWTVDTAAE-ZFWWWQNUSA-N -1 3 382.407 3.358 20 0 GGADHM CN(C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001597991324 990092057 /nfs/dbraw/zinc/09/20/57/990092057.db2.gz ISNPKPOLVDLHJL-LGVFNWMJSA-N -1 3 392.499 3.368 20 0 GGADHM CN(C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001597991322 990092250 /nfs/dbraw/zinc/09/22/50/990092250.db2.gz ISNPKPOLVDLHJL-HFMPRLQTSA-N -1 3 392.499 3.368 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)CCN2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001590497895 990104461 /nfs/dbraw/zinc/10/44/61/990104461.db2.gz IARIDFUHCQDSMD-DYESRHJHSA-N -1 3 393.549 3.335 20 0 GGADHM CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN[C@H]1CCO[C@H]1C(=O)[O-] ZINC001590572739 990209759 /nfs/dbraw/zinc/20/97/59/990209759.db2.gz MAXUMYUBGKUWTP-GOEBONIOSA-N -1 3 377.872 3.155 20 0 GGADHM CN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001598047775 990286984 /nfs/dbraw/zinc/28/69/84/990286984.db2.gz ROGFPVFBNREKBV-IBGZPJMESA-N -1 3 387.524 3.328 20 0 GGADHM CN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001598047776 990287211 /nfs/dbraw/zinc/28/72/11/990287211.db2.gz ROGFPVFBNREKBV-LJQANCHMSA-N -1 3 387.524 3.328 20 0 GGADHM CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001598061739 990335548 /nfs/dbraw/zinc/33/55/48/990335548.db2.gz NLXYXLDOPPKTAN-HXUWFJFHSA-N -1 3 381.476 3.442 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CNC(C)(C)CCC(=O)[O-])sc2C1 ZINC001590665513 990368592 /nfs/dbraw/zinc/36/85/92/990368592.db2.gz YKZFXNXUXSKZBP-UHFFFAOYSA-N -1 3 383.514 3.169 20 0 GGADHM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)N1CCc2ccccc2C1 ZINC001590726979 990524179 /nfs/dbraw/zinc/52/41/79/990524179.db2.gz NUUZAXCHFJEYFH-UHFFFAOYSA-N -1 3 385.439 3.482 20 0 GGADHM CN(C)C(=O)C[C@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001598121352 990546217 /nfs/dbraw/zinc/54/62/17/990546217.db2.gz GHUWYONCIXOEHK-IBGZPJMESA-N -1 3 377.444 3.242 20 0 GGADHM CN(C)C(=O)c1cccc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])c1 ZINC001598157367 990651785 /nfs/dbraw/zinc/65/17/85/990651785.db2.gz WREVOEFYVQQIFB-UHFFFAOYSA-N -1 3 383.423 3.007 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598170612 990700690 /nfs/dbraw/zinc/70/06/90/990700690.db2.gz ODBRSMBKUIFBHY-OAHLLOKOSA-N -1 3 375.856 3.333 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC001598200633 990815755 /nfs/dbraw/zinc/81/57/55/990815755.db2.gz OMRKHVWVXBSUKQ-MRXNPFEDSA-N -1 3 381.354 3.227 20 0 GGADHM CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001598211463 990855628 /nfs/dbraw/zinc/85/56/28/990855628.db2.gz VNNYIPKPLAEGOH-INIZCTEOSA-N -1 3 395.887 3.145 20 0 GGADHM CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001598211464 990855904 /nfs/dbraw/zinc/85/59/04/990855904.db2.gz VNNYIPKPLAEGOH-MRXNPFEDSA-N -1 3 395.887 3.145 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001598228578 990922664 /nfs/dbraw/zinc/92/26/64/990922664.db2.gz KDIPXMZZBNSKOK-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001598228882 990923555 /nfs/dbraw/zinc/92/35/55/990923555.db2.gz CTABBKXUFDYFOQ-UHFFFAOYSA-N -1 3 382.873 3.090 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598229184 990926825 /nfs/dbraw/zinc/92/68/25/990926825.db2.gz ZGJSCGFWGGVZEQ-UHFFFAOYSA-N -1 3 380.366 3.006 20 0 GGADHM CC(C)C(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938489 990963591 /nfs/dbraw/zinc/96/35/91/990963591.db2.gz FRYCWJSRCGCXNK-CJNGLKHVSA-N -1 3 386.414 3.315 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001598247487 991018560 /nfs/dbraw/zinc/01/85/60/991018560.db2.gz TXHKIVCCZUOUDW-IEBWSBKVSA-N -1 3 392.455 3.435 20 0 GGADHM CN(C)Cc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)c2c1OC(F)(F)O2 ZINC001598252028 991029787 /nfs/dbraw/zinc/02/97/87/991029787.db2.gz AAOUWTHKLBWNJF-CYBMUJFWSA-N -1 3 384.404 3.047 20 0 GGADHM CN(C)Cc1ccc(NC(=O)Cc2ccc(C(=O)[O-])nc2)cc1C(F)(F)F ZINC001598252500 991033841 /nfs/dbraw/zinc/03/38/41/991033841.db2.gz 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CC(C)[C@@H](NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC001591002158 991262750 /nfs/dbraw/zinc/26/27/50/991262750.db2.gz OROXLLAONDEIGV-QFBILLFUSA-N -1 3 378.488 3.462 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001591007343 991268369 /nfs/dbraw/zinc/26/83/69/991268369.db2.gz CYKGOWILIKXHNY-INIZCTEOSA-N -1 3 381.904 3.228 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC001591025328 991324672 /nfs/dbraw/zinc/32/46/72/991324672.db2.gz PHLJXQNVCISHTI-OALUTQOASA-N -1 3 390.867 3.325 20 0 GGADHM COc1ccccc1N1CCCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC001599714919 991436858 /nfs/dbraw/zinc/43/68/58/991436858.db2.gz PJVVEEUBZLPELS-QGZVFWFLSA-N -1 3 384.476 3.259 20 0 GGADHM CN(C)c1nc(CNCC2(C(=O)[O-])CCCC2)c(Cl)n1-c1ccccc1 ZINC001598348977 991441616 /nfs/dbraw/zinc/44/16/16/991441616.db2.gz PFARYCMKYABYNT-UHFFFAOYSA-N -1 3 376.888 3.326 20 0 GGADHM CN(C)c1ncc(CN2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])c2ccccc21 ZINC001598358821 991482461 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3.036 20 0 GGADHM CN(C[C@H](O)Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598436133 991825753 /nfs/dbraw/zinc/82/57/53/991825753.db2.gz CCWYJUWRBJQUHZ-DYVFJYSZSA-N -1 3 387.785 3.418 20 0 GGADHM COc1nsc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740300 991839188 /nfs/dbraw/zinc/83/91/88/991839188.db2.gz NMJNAQAUMJKKGF-KBPBESRZSA-N -1 3 380.441 3.077 20 0 GGADHM COc1nsc(CN(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740643 991847855 /nfs/dbraw/zinc/84/78/55/991847855.db2.gz AKOUMIQKABNWBD-CQSZACIVSA-N -1 3 382.457 3.181 20 0 GGADHM CN(CCC(=O)Nc1cccnc1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598469387 992001062 /nfs/dbraw/zinc/00/10/62/992001062.db2.gz FJBCGHRJCNXFEH-INIZCTEOSA-N -1 3 382.247 3.475 20 0 GGADHM CN(CCC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1)C(=O)OC(C)(C)C ZINC001598471829 992038264 /nfs/dbraw/zinc/03/82/64/992038264.db2.gz CLGVACHKQCRJCC-UHFFFAOYSA-N -1 3 377.485 3.249 20 0 GGADHM CN(CCCN(C)C(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598477325 992097535 /nfs/dbraw/zinc/09/75/35/992097535.db2.gz LKXOVAWECHVZNA-UHFFFAOYSA-N -1 3 379.501 3.211 20 0 GGADHM CN(CCCN(C)Cc1oc(Br)cc1C(=O)[O-])Cc1ccco1 ZINC001598477602 992099559 /nfs/dbraw/zinc/09/95/59/992099559.db2.gz BHAJMOOPKAKNAH-UHFFFAOYSA-N -1 3 385.258 3.287 20 0 GGADHM CN(CCN(C)C(=O)OC(C)(C)C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001598485174 992196087 /nfs/dbraw/zinc/19/60/87/992196087.db2.gz CQFAOIBAGPYNQO-UHFFFAOYSA-N -1 3 393.459 3.314 20 0 GGADHM CN(CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC001598487515 992227241 /nfs/dbraw/zinc/22/72/41/992227241.db2.gz TVDFWOMOUYMWCO-OYRHEFFESA-N -1 3 380.488 3.258 20 0 GGADHM CC(C)CN(CCC(=O)[O-])Cc1nnc(-c2ccccc2Br)o1 ZINC001591332548 992313039 /nfs/dbraw/zinc/31/30/39/992313039.db2.gz JDHDUFSVMQPZEE-UHFFFAOYSA-N -1 3 382.258 3.432 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591339831 992318664 /nfs/dbraw/zinc/31/86/64/992318664.db2.gz WXTJRWPTDVXNED-HNNXBMFYSA-N -1 3 389.418 3.217 20 0 GGADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001598498898 992403238 /nfs/dbraw/zinc/40/32/38/992403238.db2.gz VJEOAGBEPNCARQ-PYUISTEWSA-N -1 3 390.480 3.104 20 0 GGADHM CC(C)CNC(=O)c1cccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001591378463 992416556 /nfs/dbraw/zinc/41/65/56/992416556.db2.gz IQIFWCNLSKRHQT-INIZCTEOSA-N -1 3 387.505 3.217 20 0 GGADHM CN(CCS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)Cc1ccccc1 ZINC001598500748 992433156 /nfs/dbraw/zinc/43/31/56/992433156.db2.gz WHSPFRPLQYAVRU-INIZCTEOSA-N -1 3 390.530 3.417 20 0 GGADHM CN(CCc1ccccc1C(=O)[O-])Cc1cc2c(cc1OC(F)F)OCO2 ZINC001598502289 992449471 /nfs/dbraw/zinc/44/94/71/992449471.db2.gz SBDMDJXTNODCBV-UHFFFAOYSA-N -1 3 379.359 3.389 20 0 GGADHM CN(C[C@@H](O)CCOCc1ccccc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598503390 992465873 /nfs/dbraw/zinc/46/58/73/992465873.db2.gz IIAWBNXNXJMMCK-KXBFYZLASA-N -1 3 397.393 3.129 20 0 GGADHM CN(Cc1cc(C(=O)[O-])c2n1CCCC2)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001598508006 992533111 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387.480 3.278 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N(C)C)cc1 ZINC001591484900 992614070 /nfs/dbraw/zinc/61/40/70/992614070.db2.gz WVXIYEAWAVHRJZ-RBUKOAKNSA-N -1 3 375.513 3.137 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)[O-])n2)N(C)C)cc1 ZINC001591484881 992614362 /nfs/dbraw/zinc/61/43/62/992614362.db2.gz WBVRTXAHEFABNQ-GOSISDBHSA-N -1 3 384.480 3.403 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])N(C)C)cc1 ZINC001591484898 992614388 /nfs/dbraw/zinc/61/43/88/992614388.db2.gz WVXIYEAWAVHRJZ-MOPGFXCFSA-N -1 3 375.513 3.137 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cn1)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001598515883 992616451 /nfs/dbraw/zinc/61/64/51/992616451.db2.gz UJJNHNZEOMTPMI-WMLDXEAASA-N -1 3 380.366 3.394 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001598517377 992633337 /nfs/dbraw/zinc/63/33/37/992633337.db2.gz HHCDWGHMYIBVMP-ILXRZTDVSA-N -1 3 384.929 3.325 20 0 GGADHM CN(Cc1ccccc1CNCc1cc(C(=O)[O-])n(C)c1)C(=O)OC(C)(C)C ZINC001598529373 992759480 /nfs/dbraw/zinc/75/94/80/992759480.db2.gz GBKQOMIHLYERFK-UHFFFAOYSA-N -1 3 387.480 3.380 20 0 GGADHM CN(Cc1ccccc1)Cc1cccc(C(=O)OCc2oncc2C(=O)[O-])c1 ZINC001598529500 992761151 /nfs/dbraw/zinc/76/11/51/992761151.db2.gz AFZTXDSJVMUGES-UHFFFAOYSA-N -1 3 380.400 3.362 20 0 GGADHM CC(C)N(CCN(C)C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001591593853 992812559 /nfs/dbraw/zinc/81/25/59/992812559.db2.gz KAFJNHDKRWUDLR-UHFFFAOYSA-N -1 3 390.509 3.241 20 0 GGADHM CN(Cc1oc(Br)cc1C(=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC001598541834 992910632 /nfs/dbraw/zinc/91/06/32/992910632.db2.gz RMWLTWVQTBZIMS-UHFFFAOYSA-N -1 3 399.207 3.199 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)O[C@@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC001591633308 992936275 /nfs/dbraw/zinc/93/62/75/992936275.db2.gz DZDNKZMBTSPLKT-NRFANRHFSA-N -1 3 396.487 3.070 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)c3ccsc3CC(=O)[O-])c2)CC1 ZINC001591635927 992947943 /nfs/dbraw/zinc/94/79/43/992947943.db2.gz WDUGMYPQAVDYJP-UHFFFAOYSA-N -1 3 387.505 3.158 20 0 GGADHM CC(C)NC(=O)Nc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001591655425 992978204 /nfs/dbraw/zinc/97/82/04/992978204.db2.gz DERZSQHWZBGERJ-UHFFFAOYSA-N -1 3 384.480 3.342 20 0 GGADHM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CC[C@@H](c2ccccc2)C1 ZINC001598555861 993056234 /nfs/dbraw/zinc/05/62/34/993056234.db2.gz UCIZVZCRRYLTEU-WIYYLYMNSA-N -1 3 391.471 3.211 20 0 GGADHM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN1CC[C@H](c2ccccc2)C1 ZINC001598555860 993056581 /nfs/dbraw/zinc/05/65/81/993056581.db2.gz UCIZVZCRRYLTEU-RXVVDRJESA-N -1 3 391.471 3.211 20 0 GGADHM CN1C[C@@H]2CCN(C(=O)Nc3ccc(Cl)cc3SCCC(=O)[O-])[C@@H]2C1 ZINC001598574985 993260242 /nfs/dbraw/zinc/26/02/42/993260242.db2.gz MXBCAVMYKBVSGV-SMDDNHRTSA-N -1 3 383.901 3.075 20 0 GGADHM CN1C[C@H]2CCN(C(=O)Nc3ccc(Cl)cc3SCCC(=O)[O-])[C@@H]2C1 ZINC001598574968 993260324 /nfs/dbraw/zinc/26/03/24/993260324.db2.gz MXBCAVMYKBVSGV-BXUZGUMPSA-N -1 3 383.901 3.075 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001598584880 993367527 /nfs/dbraw/zinc/36/75/27/993367527.db2.gz ILHMTAFXSANLQV-UHFFFAOYSA-N -1 3 387.505 3.252 20 0 GGADHM CN1CC[C@@H](NCc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC001598587151 993400587 /nfs/dbraw/zinc/40/05/87/993400587.db2.gz CRPRRGAONMGHIX-VQIMIIECSA-N -1 3 384.867 3.450 20 0 GGADHM CN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598587913 993411239 /nfs/dbraw/zinc/41/12/39/993411239.db2.gz IYMPQHLMHFGRAI-XBXGTLAGSA-N -1 3 395.887 3.140 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001598588149 993414397 /nfs/dbraw/zinc/41/43/97/993414397.db2.gz ONILHIDVSLKDNM-UHFFFAOYSA-N -1 3 389.839 3.159 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC001598588211 993415327 /nfs/dbraw/zinc/41/53/27/993415327.db2.gz RFPULXLBPDRYHM-UHFFFAOYSA-N -1 3 383.876 3.045 20 0 GGADHM CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1)[C@@H]1CCCN(C)C1 ZINC001598596498 993513018 /nfs/dbraw/zinc/51/30/18/993513018.db2.gz NZXZOKLDQBWNFH-GOSISDBHSA-N -1 3 399.466 3.302 20 0 GGADHM CN1CCCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001598600252 993565346 /nfs/dbraw/zinc/56/53/46/993565346.db2.gz GAWCXDAYMYJDIH-OAHLLOKOSA-N -1 3 384.436 3.178 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@H](c1ccccc1)N(C)C ZINC001593069898 993614693 /nfs/dbraw/zinc/61/46/93/993614693.db2.gz LLJYXSIWKXIJEU-FOIQADDNSA-N -1 3 381.476 3.144 20 0 GGADHM CN1CCN(C(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)C[C@H](C(=O)[O-])C1 ZINC001598606102 993660990 /nfs/dbraw/zinc/66/09/90/993660990.db2.gz TXWIQBWORNVCGW-CEQQRPIWSA-N -1 3 398.890 3.495 20 0 GGADHM CN1CCN(C(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)C[C@H](C(=O)[O-])C1 ZINC001598606104 993661365 /nfs/dbraw/zinc/66/13/65/993661365.db2.gz TXWIQBWORNVCGW-HIZXUYSRSA-N -1 3 398.890 3.495 20 0 GGADHM COc1ccc(NC(=O)C[C@@H](C)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC001599590199 993670477 /nfs/dbraw/zinc/67/04/77/993670477.db2.gz USTWFMTZCNPVRR-ZMZPIMSZSA-N -1 3 378.375 3.106 20 0 GGADHM C[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)[C@@H](c1ccccc1)N(C)C ZINC001593089718 993708829 /nfs/dbraw/zinc/70/88/29/993708829.db2.gz ZXVGREKAMDMSGT-WMZOPIPTSA-N -1 3 375.513 3.402 20 0 GGADHM CN1CCN(C(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)C[C@H](C(=O)[O-])C1 ZINC001598608869 993728419 /nfs/dbraw/zinc/72/84/19/993728419.db2.gz MARSYGWXOYLBAB-OAHLLOKOSA-N -1 3 389.402 3.112 20 0 GGADHM CN1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H](C(=O)[O-])C1 ZINC001598609479 993740148 /nfs/dbraw/zinc/74/01/48/993740148.db2.gz DAMYAKQQFVGARD-OAHLLOKOSA-N -1 3 390.524 3.076 20 0 GGADHM CN1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)C[C@@H](C(=O)[O-])C1 ZINC001598611816 993791575 /nfs/dbraw/zinc/79/15/75/993791575.db2.gz UJDPHUUYIGYSAC-HNNXBMFYSA-N -1 3 388.851 3.221 20 0 GGADHM COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599604697 993868590 /nfs/dbraw/zinc/86/85/90/993868590.db2.gz NKVCGRWWPWYWBF-GFCCVEGCSA-N -1 3 390.411 3.048 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001593131183 993878738 /nfs/dbraw/zinc/87/87/38/993878738.db2.gz LRMNRFOJZNHJOJ-CVEARBPZSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001593131772 993884129 /nfs/dbraw/zinc/88/41/29/993884129.db2.gz RQHJROQMOOQFQW-CRAIPNDOSA-N -1 3 392.496 3.418 20 0 GGADHM C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(C(=O)[O-])co1 ZINC001593195698 994149525 /nfs/dbraw/zinc/14/95/25/994149525.db2.gz DRWBBBCLVWEZEJ-UONOGXRCSA-N -1 3 375.444 3.281 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593195781 994150613 /nfs/dbraw/zinc/15/06/13/994150613.db2.gz FPMWPBRVJKWMJE-KGLIPLIRSA-N -1 3 390.867 3.159 20 0 GGADHM C[C@@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC001593203671 994188318 /nfs/dbraw/zinc/18/83/18/994188318.db2.gz GHDXSXZGTSVBLH-CXAGYDPISA-N -1 3 379.453 3.486 20 0 GGADHM COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599629950 994202628 /nfs/dbraw/zinc/20/26/28/994202628.db2.gz ILOGMUQNUFVZGN-SCLBCKFNSA-N -1 3 384.432 3.224 20 0 GGADHM COc1ccc2c(c1)[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)CCO2 ZINC001599631244 994221055 /nfs/dbraw/zinc/22/10/55/994221055.db2.gz AFPLWTNPNJRUPY-SCLBCKFNSA-N -1 3 384.432 3.224 20 0 GGADHM COc1ccc2c(c1)[C@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)CCO2 ZINC001599631243 994221491 /nfs/dbraw/zinc/22/14/91/994221491.db2.gz AFPLWTNPNJRUPY-FZKQIMNGSA-N -1 3 384.432 3.224 20 0 GGADHM C[C@H](N[C@H]1CC[C@@H](C(=O)[O-])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001593221210 994321612 /nfs/dbraw/zinc/32/16/12/994321612.db2.gz YHWZODUFAGORJU-NDMJEZRESA-N -1 3 380.242 3.403 20 0 GGADHM C[C@H](NC1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ncc(C(=O)[O-])s1 ZINC001593221764 994325468 /nfs/dbraw/zinc/32/54/68/994325468.db2.gz AILDIKMOIVDVPF-HIFPTAJRSA-N -1 3 399.472 3.099 20 0 GGADHM C[C@@H](NC1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ncc(C(=O)[O-])s1 ZINC001593221765 994325909 /nfs/dbraw/zinc/32/59/09/994325909.db2.gz AILDIKMOIVDVPF-PNESKVBLSA-N -1 3 399.472 3.099 20 0 GGADHM C[C@@H](N[C@H]1CCCN(CCC(=O)[O-])C1=O)c1cccc(SC(F)(F)F)c1 ZINC001593222032 994330832 /nfs/dbraw/zinc/33/08/32/994330832.db2.gz FZDWCJPMWWWASE-RISCZKNCSA-N -1 3 390.427 3.415 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1OCC(=O)[O-] ZINC001593230019 994356531 /nfs/dbraw/zinc/35/65/31/994356531.db2.gz ASZQFOJDQKFDCZ-ZIAGYGMSSA-N -1 3 376.403 3.358 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1OCC(=O)[O-] ZINC001593230018 994356572 /nfs/dbraw/zinc/35/65/72/994356572.db2.gz ASZQFOJDQKFDCZ-UONOGXRCSA-N -1 3 376.403 3.358 20 0 GGADHM COc1cccc(C(=O)NCCN[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC001599642584 994380319 /nfs/dbraw/zinc/38/03/19/994380319.db2.gz VJGUNLMTWUOFHO-MRXNPFEDSA-N -1 3 397.258 3.147 20 0 GGADHM C[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1cc2ccccc2s1 ZINC001593240280 994428411 /nfs/dbraw/zinc/42/84/11/994428411.db2.gz MPLUAXXNZDXQES-SNVBAGLBSA-N -1 3 375.475 3.274 20 0 GGADHM C[C@@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccccc1OCC(=O)[O-] ZINC001593245874 994441533 /nfs/dbraw/zinc/44/15/33/994441533.db2.gz DFXRIOGGDFNEPA-CXAGYDPISA-N -1 3 378.419 3.382 20 0 GGADHM C[C@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccccc1OCC(=O)[O-] ZINC001593245876 994441653 /nfs/dbraw/zinc/44/16/53/994441653.db2.gz DFXRIOGGDFNEPA-GUYCJALGSA-N -1 3 378.419 3.382 20 0 GGADHM C[C@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccccc1OCC(=O)[O-] ZINC001593245877 994441749 /nfs/dbraw/zinc/44/17/49/994441749.db2.gz DFXRIOGGDFNEPA-SUMWQHHRSA-N -1 3 378.419 3.382 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC001599649913 994481983 /nfs/dbraw/zinc/48/19/83/994481983.db2.gz IVBSGLNNRLFSRV-NRFANRHFSA-N -1 3 377.444 3.191 20 0 GGADHM C[C@H](NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593250016 994483125 /nfs/dbraw/zinc/48/31/25/994483125.db2.gz ZSBNHVYDEGYPCC-SUMWQHHRSA-N -1 3 378.856 3.355 20 0 GGADHM C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593250772 994488287 /nfs/dbraw/zinc/48/82/87/994488287.db2.gz WPAXUFSGXJFHKU-MOFZMDFASA-N -1 3 378.469 3.405 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650785 994495723 /nfs/dbraw/zinc/49/57/23/994495723.db2.gz OAAXGUZWENQIFK-WBVHZDCISA-N -1 3 378.469 3.152 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])NC[C@@H]2CN(C3CCCCC3)C(=O)O2)c1 ZINC001599652862 994532366 /nfs/dbraw/zinc/53/23/66/994532366.db2.gz OPZZOHVILAQVSV-WIYYLYMNSA-N -1 3 390.480 3.128 20 0 GGADHM CNC(=O)c1ccc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc1 ZINC001598657465 994544796 /nfs/dbraw/zinc/54/47/96/994544796.db2.gz BYRSISDYMYMLQV-UHFFFAOYSA-N -1 3 381.457 3.158 20 0 GGADHM CNC(=O)c1ccc(CN(C)Cc2cc(Br)ccc2C(=O)[O-])cc1 ZINC001598658112 994555201 /nfs/dbraw/zinc/55/52/01/994555201.db2.gz UNSUXFRHQSUTIT-UHFFFAOYSA-N -1 3 391.265 3.139 20 0 GGADHM C[C@@H](NCCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593263699 994560336 /nfs/dbraw/zinc/56/03/36/994560336.db2.gz BNDQHDRWWJRNAA-GFCCVEGCSA-N -1 3 381.498 3.449 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cc(=O)oc3cc(OC)ccc23)c1 ZINC001599655635 994574812 /nfs/dbraw/zinc/57/48/12/994574812.db2.gz MPLQMEPBIMIYBM-JOCHJYFZSA-N -1 3 397.427 3.290 20 0 GGADHM CC(C)(C)S(=O)(=O)CCCN[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593266672 994581073 /nfs/dbraw/zinc/58/10/73/994581073.db2.gz GHHFEBLBIDKIBA-MRXNPFEDSA-N -1 3 396.336 3.486 20 0 GGADHM C[C@@H](NCCCNC(=O)c1cccc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593267145 994586623 /nfs/dbraw/zinc/58/66/23/994586623.db2.gz LRJJISQHRROBSC-LLVKDONJSA-N -1 3 395.253 3.211 20 0 GGADHM C[C@H](NC[C@@H](O)c1cccc(Br)c1)c1ccccc1OCC(=O)[O-] ZINC001593285589 994636559 /nfs/dbraw/zinc/63/65/59/994636559.db2.gz GTQMZJTVPDHPHR-BLLLJJGKSA-N -1 3 394.265 3.297 20 0 GGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593296565 994698731 /nfs/dbraw/zinc/69/87/31/994698731.db2.gz OCEVLQURMYTHDE-AWEZNQCLSA-N -1 3 389.446 3.266 20 0 GGADHM COc1cccc([C@H]2CN(CCOc3ccc(C(=O)[O-])cc3Cl)CCN2)c1 ZINC001599665690 994726135 /nfs/dbraw/zinc/72/61/35/994726135.db2.gz RGAYFAAOQJIGMI-GOSISDBHSA-N -1 3 390.867 3.072 20 0 GGADHM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001593299866 994726517 /nfs/dbraw/zinc/72/65/17/994726517.db2.gz XBCMKOPGTVNBOS-RISCZKNCSA-N -1 3 383.876 3.311 20 0 GGADHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001593304368 994746773 /nfs/dbraw/zinc/74/67/73/994746773.db2.gz LWBKABBKULLVHE-CQSZACIVSA-N -1 3 383.448 3.285 20 0 GGADHM C[C@@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)N1c2ccccc2C[C@@H]1C ZINC001593310745 994774560 /nfs/dbraw/zinc/77/45/60/994774560.db2.gz KCFZZGPXHODVBS-LSDHHAIUSA-N -1 3 389.455 3.389 20 0 GGADHM C[C@@H](NCc1cn(-c2ccc(Cl)cc2)nn1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593311183 994779430 /nfs/dbraw/zinc/77/94/30/994779430.db2.gz ODWJESUJXVSJOC-KUHUBIRLSA-N -1 3 384.867 3.342 20 0 GGADHM C[C@H](NCc1cn(-c2ccc(Cl)cc2)nn1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593311181 994780050 /nfs/dbraw/zinc/78/00/50/994780050.db2.gz ODWJESUJXVSJOC-IFXJQAMLSA-N -1 3 384.867 3.342 20 0 GGADHM COc1cccc(CN2CCC(NC(=O)CC3(CC(=O)[O-])CCCC3)CC2)c1 ZINC001599672196 994832764 /nfs/dbraw/zinc/83/27/64/994832764.db2.gz DFOPQUAXZDRALF-UHFFFAOYSA-N -1 3 388.508 3.201 20 0 GGADHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001598676225 994848358 /nfs/dbraw/zinc/84/83/58/994848358.db2.gz BDHIQCQAEWQFRQ-KGLIPLIRSA-N -1 3 376.478 3.013 20 0 GGADHM COc1cccc(NC(=O)CCN2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)c1 ZINC001599679212 994951263 /nfs/dbraw/zinc/95/12/63/994951263.db2.gz WDPNMNBYGXKMHV-GOSISDBHSA-N -1 3 385.464 3.288 20 0 GGADHM COC(=O)[C@H](CC(C)C)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001598698337 995178768 /nfs/dbraw/zinc/17/87/68/995178768.db2.gz PIUMBMBNWKOZCN-XHSDSOJGSA-N -1 3 398.297 3.137 20 0 GGADHM COC(=O)[C@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717261 995426690 /nfs/dbraw/zinc/42/66/90/995426690.db2.gz GQNGCBSIPNQMJO-RISCZKNCSA-N -1 3 399.287 3.259 20 0 GGADHM COC(=O)C1(CNCc2ccc(C(=O)[O-])cc2Br)CCCCC1 ZINC001598726966 995528214 /nfs/dbraw/zinc/52/82/14/995528214.db2.gz JODXFNSPGMXSLI-UHFFFAOYSA-N -1 3 384.270 3.360 20 0 GGADHM COC(=O)[C@@H]1[C@H](CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740717 995560449 /nfs/dbraw/zinc/56/04/49/995560449.db2.gz GAZBHSFBUHTKLC-UWJYBYFXSA-N -1 3 382.190 3.105 20 0 GGADHM C[C@H](OCCCNC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608551 995797067 /nfs/dbraw/zinc/79/70/67/995797067.db2.gz KBVULKFWDCEMQL-HKUYNNGSSA-N -1 3 390.524 3.093 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC001593615319 995831682 /nfs/dbraw/zinc/83/16/82/995831682.db2.gz HEHFAHMJEVEBPX-VKJFTORMSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615389 995832669 /nfs/dbraw/zinc/83/26/69/995832669.db2.gz JBYRENDJCRBYIB-VKJFTORMSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@@H](Oc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1)C(=O)[O-] ZINC001593618491 995858662 /nfs/dbraw/zinc/85/86/62/995858662.db2.gz YNQMVZOTRDHZTC-DYESRHJHSA-N -1 3 399.487 3.159 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644281 995959397 /nfs/dbraw/zinc/95/93/97/995959397.db2.gz GXWAIZJBYSVBMN-OPAMFIHVSA-N -1 3 387.451 3.105 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(CC(=O)NC2CCCC2)CC1)C(=O)[O-] ZINC001593644731 995965579 /nfs/dbraw/zinc/96/55/79/995965579.db2.gz MHQAWPZBTBTPMB-INIZCTEOSA-N -1 3 388.508 3.199 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001593644802 995966044 /nfs/dbraw/zinc/96/60/44/995966044.db2.gz DDXFODOMNXXVSA-YOEHRIQHSA-N -1 3 392.496 3.274 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644815 995966551 /nfs/dbraw/zinc/96/65/51/995966551.db2.gz NBNDSQNXNBIKPJ-JKSUJKDBSA-N -1 3 392.496 3.227 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(c2ncc3n2CCCC3)CC1)C(=O)[O-] ZINC001593645014 995968879 /nfs/dbraw/zinc/96/88/79/995968879.db2.gz OMHQSEOKUOFNTQ-MRXNPFEDSA-N -1 3 383.492 3.451 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645469 995974810 /nfs/dbraw/zinc/97/48/10/995974810.db2.gz KEYAYONUOYDSTI-VYDXJSESSA-N -1 3 392.496 3.416 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646684 995987842 /nfs/dbraw/zinc/98/78/42/995987842.db2.gz ZXZHDDFYWQGFJB-VYDXJSESSA-N -1 3 377.481 3.338 20 0 GGADHM COC(=O)[C@@H]1CCC[C@H]1NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598790596 996069063 /nfs/dbraw/zinc/06/90/63/996069063.db2.gz LJJHNJVXFHPUJV-RTBURBONSA-N -1 3 383.444 3.395 20 0 GGADHM COC(=O)[C@H]1CCN(CCSc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC001598798288 996123301 /nfs/dbraw/zinc/12/33/01/996123301.db2.gz DRRDSYBRMVBMIR-GXFFZTMASA-N -1 3 392.304 3.424 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689301 996131912 /nfs/dbraw/zinc/13/19/12/996131912.db2.gz GACLUMPDTDJWKM-RYUDHWBXSA-N -1 3 377.828 3.438 20 0 GGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593693112 996142350 /nfs/dbraw/zinc/14/23/50/996142350.db2.gz JJJGTQXYKTYVGQ-XCLFUZPHSA-N -1 3 382.451 3.497 20 0 GGADHM C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C(=O)[O-])cc1Br ZINC001593704727 996185094 /nfs/dbraw/zinc/18/50/94/996185094.db2.gz ALKGVTFUMPBSMM-SJKOYZFVSA-N -1 3 378.266 3.402 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598806031 996187395 /nfs/dbraw/zinc/18/73/95/996187395.db2.gz YRZXHCQROAEWEE-DNVCBOLYSA-N -1 3 387.407 3.456 20 0 GGADHM CC1(C)C(=O)N[C@@H]1C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001593822834 996563158 /nfs/dbraw/zinc/56/31/58/996563158.db2.gz PRFYVYRZRWYGPA-HUUCEWRRSA-N -1 3 384.398 3.068 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2ccccc2C(=O)[O-])C[C@H]1OCc1ccccc1 ZINC001593834297 996584543 /nfs/dbraw/zinc/58/45/43/996584543.db2.gz CHGWVANMTFRZLT-RTBURBONSA-N -1 3 382.460 3.297 20 0 GGADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001593834296 996584731 /nfs/dbraw/zinc/58/47/31/996584731.db2.gz CHGWVANMTFRZLT-RBUKOAKNSA-N -1 3 382.460 3.297 20 0 GGADHM COC(=O)COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC001598868394 996722933 /nfs/dbraw/zinc/72/29/33/996722933.db2.gz LPJZZGPKBUIXTO-QGZVFWFLSA-N -1 3 398.242 3.461 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC001599380135 996824079 /nfs/dbraw/zinc/82/40/79/996824079.db2.gz XKWTVBZTFHQGRT-XJKSGUPXSA-N -1 3 385.416 3.230 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC=C(c2ccc(C)cc2)CC1 ZINC001599380265 996825563 /nfs/dbraw/zinc/82/55/63/996825563.db2.gz HASJAYSGJGYDKS-HXUWFJFHSA-N -1 3 397.471 3.231 20 0 GGADHM COCOc1ccc(OC)cc1CN1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599278123 996845874 /nfs/dbraw/zinc/84/58/74/996845874.db2.gz ZXMMUAXKCCVFDO-ZDUSSCGKSA-N -1 3 392.477 3.212 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC=C(c2cccc(C)c2)CC1 ZINC001599381173 996849717 /nfs/dbraw/zinc/84/97/17/996849717.db2.gz SXVWPVUNEPUYPX-HXUWFJFHSA-N -1 3 397.471 3.231 20 0 GGADHM COCc1cc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599285483 996969221 /nfs/dbraw/zinc/96/92/21/996969221.db2.gz HFHLRMIOOHDRHT-QRWLVFNGSA-N -1 3 397.475 3.316 20 0 GGADHM COCc1cc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599285477 996969710 /nfs/dbraw/zinc/96/97/10/996969710.db2.gz HFHLRMIOOHDRHT-FOIQADDNSA-N -1 3 397.475 3.316 20 0 GGADHM COCc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc(C(=O)[O-])c1 ZINC001599287157 996999956 /nfs/dbraw/zinc/99/99/56/996999956.db2.gz GPHLLUFUODTHAO-HXUWFJFHSA-N -1 3 397.475 3.490 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001599500221 997103175 /nfs/dbraw/zinc/10/31/75/997103175.db2.gz MEDAHBWLEUGVKM-CQSZACIVSA-N -1 3 378.469 3.130 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001599500220 997103328 /nfs/dbraw/zinc/10/33/28/997103328.db2.gz MEDAHBWLEUGVKM-AWEZNQCLSA-N -1 3 378.469 3.130 20 0 GGADHM COC1(C(F)(F)F)CCN(Cc2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC001599086766 997112039 /nfs/dbraw/zinc/11/20/39/997112039.db2.gz RZRLWTVKSJLSPG-UHFFFAOYSA-N -1 3 375.387 3.310 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001599500910 997116472 /nfs/dbraw/zinc/11/64/72/997116472.db2.gz MSPNQAMAZJJOAJ-UTKZUKDTSA-N -1 3 390.480 3.415 20 0 GGADHM COC1(OC)CC2(CN(Cc3cc(C(=O)[O-])c4n3CCCC4)[C@H]2C(C)C)C1 ZINC001599093331 997233012 /nfs/dbraw/zinc/23/30/12/997233012.db2.gz GTMISKHLPSLDTI-SFHVURJKSA-N -1 3 376.497 3.132 20 0 GGADHM CC1([C@H]2CCCN(Cc3ccc(C(=O)[O-])c(Br)c3)C2)OCCO1 ZINC001593992498 997271878 /nfs/dbraw/zinc/27/18/78/997271878.db2.gz LAHLSKFTGAAZCU-ZDUSSCGKSA-N -1 3 384.270 3.122 20 0 GGADHM C[C@]1([C@@H]2CCCN(Cc3ccc(C(=O)[O-])cc3C(F)(F)F)C2)COC(=O)N1 ZINC001593992912 997278204 /nfs/dbraw/zinc/27/82/04/997278204.db2.gz QEFVKOIQGBDSFG-CXAGYDPISA-N -1 3 386.370 3.114 20 0 GGADHM C[C@]1(C2CCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)COC(=O)N1 ZINC001593994252 997292649 /nfs/dbraw/zinc/29/26/49/997292649.db2.gz ONYFLLOGDYALBA-RHSMWYFYSA-N -1 3 386.370 3.042 20 0 GGADHM COc1cc(CN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C2CC2)ccc1OC(F)F ZINC001599406928 997326682 /nfs/dbraw/zinc/32/66/82/997326682.db2.gz OPCBOVMFPHWIPL-FZMZJTMJSA-N -1 3 377.334 3.227 20 0 GGADHM COc1cc(CN2CC[C@@H]([C@H]3CCOC3)C2)c(Br)cc1C(=O)[O-] ZINC001599407139 997333326 /nfs/dbraw/zinc/33/33/26/997333326.db2.gz OERLCWQHRJQUAR-NEPJUHHUSA-N -1 3 384.270 3.014 20 0 GGADHM COc1cc(CN2CC[C@H](n3cccn3)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407196 997334605 /nfs/dbraw/zinc/33/46/05/997334605.db2.gz IWXJRITTXKYWPR-INIZCTEOSA-N -1 3 397.431 3.209 20 0 GGADHM COC1CCC(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)CC1 ZINC001599101268 997389090 /nfs/dbraw/zinc/38/90/90/997389090.db2.gz MEBYSVDAJBTSEJ-XUJQIHCRSA-N -1 3 380.916 3.289 20 0 GGADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001599516192 997391432 /nfs/dbraw/zinc/39/14/32/997391432.db2.gz LRFGZOJFHXMAAC-IBGZPJMESA-N -1 3 386.423 3.099 20 0 GGADHM COc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)cc(Br)c1OC ZINC001599415218 997495474 /nfs/dbraw/zinc/49/54/74/997495474.db2.gz IVZJYTCFSXQQOT-UHFFFAOYSA-N -1 3 397.269 3.101 20 0 GGADHM COc1cc(CN[C@@H]2C[C@H](OC)C23CCC3)c(Br)cc1C(=O)[O-] ZINC001599415944 997509959 /nfs/dbraw/zinc/50/99/59/997509959.db2.gz VCLIIXMLJRCERI-CABCVRRESA-N -1 3 384.270 3.203 20 0 GGADHM COc1cc(CN[C@H](C2CC2)C(C)(C)CO)c(Br)cc1C(=O)[O-] ZINC001599416189 997515615 /nfs/dbraw/zinc/51/56/15/997515615.db2.gz NPHJZLFYTNVFQU-OAHLLOKOSA-N -1 3 386.286 3.043 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC001599526804 997574083 /nfs/dbraw/zinc/57/40/83/997574083.db2.gz DUNFJRNFFPYHEL-IBGZPJMESA-N -1 3 376.497 3.276 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599527885 997594715 /nfs/dbraw/zinc/59/47/15/997594715.db2.gz LOGZTEGJWYYKDG-CTNGQTDRSA-N -1 3 384.476 3.375 20 0 GGADHM C[C@@]1(CO)CCCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594030947 997602526 /nfs/dbraw/zinc/60/25/26/997602526.db2.gz ULZAZISVSINTIM-KRWDZBQOSA-N -1 3 384.263 3.224 20 0 GGADHM COc1ccc([C@H](NCCN(C(=O)OC(C)(C)C)C(C)(C)C)C(=O)[O-])cc1O ZINC001599528467 997605850 /nfs/dbraw/zinc/60/58/50/997605850.db2.gz XZBRFTGUFFATFW-INIZCTEOSA-N -1 3 396.484 3.152 20 0 GGADHM COc1ccc([C@H](N[C@@H](C)CC(=O)Nc2ccc(C)cc2C)C(=O)[O-])cc1O ZINC001599529189 997618555 /nfs/dbraw/zinc/61/85/55/997618555.db2.gz VLDNOULWHDLUQL-XOBRGWDASA-N -1 3 386.448 3.150 20 0 GGADHM COc1ccc([C@@H](N[C@@H](C)CC(=O)Nc2ccc(C)cc2C)C(=O)[O-])cc1O ZINC001599529187 997618584 /nfs/dbraw/zinc/61/85/84/997618584.db2.gz VLDNOULWHDLUQL-VBKZILBWSA-N -1 3 386.448 3.150 20 0 GGADHM COc1ccc([C@@H](NCc2cn(-c3ccncc3)nc2C)C(=O)[O-])cc1Cl ZINC001599530651 997645148 /nfs/dbraw/zinc/64/51/48/997645148.db2.gz GQWVYPJRHCTDIN-GOSISDBHSA-N -1 3 386.839 3.153 20 0 GGADHM COc1ccc([C@H](O)C2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)cc1 ZINC001599530936 997650747 /nfs/dbraw/zinc/65/07/47/997650747.db2.gz BRCWHACJWZYEDN-ZHRRBRCNSA-N -1 3 399.487 3.493 20 0 GGADHM COc1ccc([C@@H](NCc2sc3nc(C)nc(C)c3c2C)C(=O)[O-])cc1O ZINC001599531865 997668864 /nfs/dbraw/zinc/66/88/64/997668864.db2.gz UKVGWVJIYUUYHP-QGZVFWFLSA-N -1 3 387.461 3.246 20 0 GGADHM COc1ccc([C@H](NCc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)[O-])cc1 ZINC001599533191 997694927 /nfs/dbraw/zinc/69/49/27/997694927.db2.gz WFMYBOFWABAKHI-KRWDZBQOSA-N -1 3 387.436 3.353 20 0 GGADHM COC(=O)c1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc(C(=O)[O-])c1 ZINC001598929958 997729324 /nfs/dbraw/zinc/72/93/24/997729324.db2.gz IBWIGFLNIPFQKK-HXUWFJFHSA-N -1 3 397.427 3.184 20 0 GGADHM COC(=O)c1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc(C(=O)[O-])c1 ZINC001598929957 997729714 /nfs/dbraw/zinc/72/97/14/997729714.db2.gz IBWIGFLNIPFQKK-FQEVSTJZSA-N -1 3 397.427 3.184 20 0 GGADHM CC1(N2CCOCC2)CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594049356 997731032 /nfs/dbraw/zinc/73/10/32/997731032.db2.gz JMIVCAAXQHIHCK-MRXNPFEDSA-N -1 3 387.307 3.306 20 0 GGADHM CC1(N2CCOCC2)CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594049354 997731236 /nfs/dbraw/zinc/73/12/36/997731236.db2.gz JMIVCAAXQHIHCK-INIZCTEOSA-N -1 3 387.307 3.306 20 0 GGADHM COC(=O)c1cc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc(C(=O)OC)c1 ZINC001598930572 997744571 /nfs/dbraw/zinc/74/45/71/997744571.db2.gz QOQCBZUBCDLGOP-GOSISDBHSA-N -1 3 399.443 3.202 20 0 GGADHM C[C@]1(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC[C@@H]1C(=O)[O-] ZINC001594051761 997748077 /nfs/dbraw/zinc/74/80/77/997748077.db2.gz KVOIMXBRRAHCFB-UWVAXJGDSA-N -1 3 394.462 3.294 20 0 GGADHM C[C@]1(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC[C@@H]1C(=O)[O-] ZINC001594051759 997748148 /nfs/dbraw/zinc/74/81/48/997748148.db2.gz KVOIMXBRRAHCFB-HLIPFELVSA-N -1 3 394.462 3.294 20 0 GGADHM COC(=O)c1cc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c(C)s1 ZINC001598930946 997753290 /nfs/dbraw/zinc/75/32/90/997753290.db2.gz YVDYTDZVKKCFET-LSDHHAIUSA-N -1 3 395.427 3.422 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)cc(C(=O)[O-])c1 ZINC001598931492 997765928 /nfs/dbraw/zinc/76/59/28/997765928.db2.gz CEENHNCGMCGNRI-ZDUSSCGKSA-N -1 3 387.432 3.348 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932212 997782697 /nfs/dbraw/zinc/78/26/97/997782697.db2.gz GNMGWBNIXFYALS-SJORKVTESA-N -1 3 389.473 3.321 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@H]2COc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC001598932587 997795523 /nfs/dbraw/zinc/79/55/23/997795523.db2.gz MHSNHTKGVBXQGP-SFHVURJKSA-N -1 3 387.407 3.354 20 0 GGADHM COc1cc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)ccc1C(=O)[O-] ZINC001599434643 997822097 /nfs/dbraw/zinc/82/20/97/997822097.db2.gz ZTPQQVKNXCXGIC-UHFFFAOYSA-N -1 3 389.427 3.128 20 0 GGADHM COc1cc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)ccc1C(=O)[O-] ZINC001599436113 997849739 /nfs/dbraw/zinc/84/97/39/997849739.db2.gz VNNIQELGRVNZKF-INIZCTEOSA-N -1 3 397.475 3.379 20 0 GGADHM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001599543961 997892708 /nfs/dbraw/zinc/89/27/08/997892708.db2.gz PSAWNKFOSPJSQA-IZTUGPKFSA-N -1 3 381.428 3.221 20 0 GGADHM COc1c(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340222 997909228 /nfs/dbraw/zinc/90/92/28/997909228.db2.gz HKDJYHGESDJVNW-NRFANRHFSA-N -1 3 383.448 3.180 20 0 GGADHM COc1c(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cccc1C(=O)[O-] ZINC001599341204 997925681 /nfs/dbraw/zinc/92/56/81/997925681.db2.gz PZDZCFQPAZODEB-SFHVURJKSA-N -1 3 383.448 3.352 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](CC2CC2)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598938950 997926102 /nfs/dbraw/zinc/92/61/02/997926102.db2.gz HHWCAJIWPGVVPN-LJQANCHMSA-N -1 3 396.443 3.241 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NC2CCC(C)(c3ccccc3)CC2)CC1 ZINC001594076502 997948633 /nfs/dbraw/zinc/94/86/33/997948633.db2.gz KXSAVNVWTMBMCH-UHFFFAOYSA-N -1 3 387.524 3.077 20 0 GGADHM COc1cc(Br)c(CN2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1O ZINC001599347411 998032584 /nfs/dbraw/zinc/03/25/84/998032584.db2.gz AHZIRXQYFLQVKR-SJKOYZFVSA-N -1 3 384.270 3.240 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001599450118 998079265 /nfs/dbraw/zinc/07/92/65/998079265.db2.gz BLTCPMVJDACITH-QGZVFWFLSA-N -1 3 395.358 3.283 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3cc(C)ccn3)CC2)c1 ZINC001599451157 998102350 /nfs/dbraw/zinc/10/23/50/998102350.db2.gz VTAQXMROYBCWIC-FQEVSTJZSA-N -1 3 386.448 3.076 20 0 GGADHM COC(=O)c1cc2cc(CN[C@@H](C(=O)[O-])c3ccc4c(c3)CCO4)ccc2o1 ZINC001598957311 998267115 /nfs/dbraw/zinc/26/71/15/998267115.db2.gz BAGHYCQJJRZFQR-LJQANCHMSA-N -1 3 381.384 3.070 20 0 GGADHM COC(=O)c1cc2cc(CN3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)ccc2o1 ZINC001598957381 998268438 /nfs/dbraw/zinc/26/84/38/998268438.db2.gz FQRSFAKNYDRKMI-QWHCGFSZSA-N -1 3 385.338 3.304 20 0 GGADHM COc1cc2ccccc2cc1-c1nnc(CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)o1 ZINC001599466531 998370789 /nfs/dbraw/zinc/37/07/89/998370789.db2.gz JPTLETGSZOMJPC-ZSEKCTLFSA-N -1 3 381.432 3.441 20 0 GGADHM COc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1O ZINC001599571591 998373205 /nfs/dbraw/zinc/37/32/05/998373205.db2.gz RUQKFWDUZSHKCP-QGZVFWFLSA-N -1 3 380.238 3.253 20 0 GGADHM COc1ccc(-c2cnc(CN3C[C@@H](c4ccc(O)cc4)[C@H](C(=O)[O-])C3)o2)cc1 ZINC001599468590 998409040 /nfs/dbraw/zinc/40/90/40/998409040.db2.gz GKCQIEINSNSASC-RBUKOAKNSA-N -1 3 394.427 3.356 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCCC(C)(C)CC1 ZINC001598965677 998415130 /nfs/dbraw/zinc/41/51/30/998415130.db2.gz QYNHELIBIPDNMK-ZDUSSCGKSA-N -1 3 376.453 3.011 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001599371440 998415314 /nfs/dbraw/zinc/41/53/14/998415314.db2.gz RRVXUNXRELCPBP-UHFFFAOYSA-N -1 3 397.475 3.442 20 0 GGADHM COc1ccc(-c2ccccc2C)cc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599468978 998416128 /nfs/dbraw/zinc/41/61/28/998416128.db2.gz YQSCBUUMRJWYCC-SFHVURJKSA-N -1 3 392.459 3.407 20 0 GGADHM COc1ccc(-c2nc(CN3C[C@H](C)[C@@](C)(C(=O)[O-])C3)cs2)c(OC)c1 ZINC001599469933 998432697 /nfs/dbraw/zinc/43/26/97/998432697.db2.gz PFDINAXKODDKPW-BUXKBTBVSA-N -1 3 376.478 3.370 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](NCc2ccccc2OCC(=O)[O-])C1 ZINC001599578292 998482540 /nfs/dbraw/zinc/48/25/40/998482540.db2.gz UIKKCEBBBWTTHO-MRXNPFEDSA-N -1 3 390.867 3.181 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H](NCc2ccccc2OCC(=O)[O-])C1 ZINC001599578291 998483095 /nfs/dbraw/zinc/48/30/95/998483095.db2.gz UIKKCEBBBWTTHO-INIZCTEOSA-N -1 3 390.867 3.181 20 0 GGADHM COC(=O)c1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(OC)c2)cc1Cl ZINC001598972310 998539856 /nfs/dbraw/zinc/53/98/56/998539856.db2.gz OSAWNCJAOXDKKM-KRWDZBQOSA-N -1 3 377.824 3.393 20 0 GGADHM C[C@H]1[C@H](C(=O)[O-])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001594162973 998610480 /nfs/dbraw/zinc/61/04/80/998610480.db2.gz WINCOLFENORJRI-GHTZIAJQSA-N -1 3 380.488 3.053 20 0 GGADHM C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001594176591 998679500 /nfs/dbraw/zinc/67/95/00/998679500.db2.gz IUOZEXDLVAZJBO-KZNAEPCWSA-N -1 3 395.503 3.307 20 0 GGADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001594186548 998721231 /nfs/dbraw/zinc/72/12/31/998721231.db2.gz XBLCVZXYCQJDMT-GPMSIDNRSA-N -1 3 382.508 3.288 20 0 GGADHM C[C@H]1[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1Cc1ccccc1 ZINC001594189897 998736478 /nfs/dbraw/zinc/73/64/78/998736478.db2.gz CKCGGFHKAXVRAX-SJCJKPOMSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@@H]1[C@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)CCN1Cc1ccccc1 ZINC001594189953 998736585 /nfs/dbraw/zinc/73/65/85/998736585.db2.gz DFQRHSDWBRXSEJ-IEBWSBKVSA-N -1 3 387.524 3.374 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCN1Cc1ccccc1 ZINC001594191300 998747147 /nfs/dbraw/zinc/74/71/47/998747147.db2.gz VQKAITDCVRELRZ-IERDGZPVSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@@H]1[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCN1Cc1ccccc1 ZINC001594191597 998749433 /nfs/dbraw/zinc/74/94/33/998749433.db2.gz AZKHTYLWVVMVCL-CXAGYDPISA-N -1 3 393.447 3.046 20 0 GGADHM COC(=O)c1cccc([C@@H](N[C@@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC001598993051 998754315 /nfs/dbraw/zinc/75/43/15/998754315.db2.gz BKKNPYNFLOMDDX-ORAYPTAESA-N -1 3 387.432 3.275 20 0 GGADHM COC(=O)c1cccc([C@@H](NCc2ccc(Br)cc2)C(=O)[O-])c1 ZINC001598996145 998781321 /nfs/dbraw/zinc/78/13/21/998781321.db2.gz OYALSHHJTNYAHE-OAHLLOKOSA-N -1 3 378.222 3.151 20 0 GGADHM COC(=O)c1cccc([C@H](NCc2ccc(Br)cc2C)C(=O)[O-])c1 ZINC001598997121 998790122 /nfs/dbraw/zinc/79/01/22/998790122.db2.gz XLLOPICEHDBSOX-INIZCTEOSA-N -1 3 392.249 3.460 20 0 GGADHM COC(=O)c1cccc([C@@H](NCc2cccc(-c3ccccn3)c2)C(=O)[O-])c1 ZINC001598997286 998791450 /nfs/dbraw/zinc/79/14/50/998791450.db2.gz YLPRLBJOHAIYPH-HXUWFJFHSA-N -1 3 376.412 3.451 20 0 GGADHM COC(=O)c1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(OC)c(Cl)c2)c1 ZINC001598998135 998799902 /nfs/dbraw/zinc/79/99/02/998799902.db2.gz XLGSDWPGANWROB-KRWDZBQOSA-N -1 3 377.824 3.393 20 0 GGADHM COC(=O)c1cccc([C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)[O-])c1 ZINC001598998591 998803577 /nfs/dbraw/zinc/80/35/77/998803577.db2.gz QOTUFEVAYNBJKP-UXHICEINSA-N -1 3 397.427 3.111 20 0 GGADHM COC(=O)c1ccccc1-c1ccc(CNCCc2ncc(C(=O)[O-])s2)o1 ZINC001599001889 998826049 /nfs/dbraw/zinc/82/60/49/998826049.db2.gz CNBLHTDWGTUMSH-UHFFFAOYSA-N -1 3 386.429 3.220 20 0 GGADHM COC(=O)c1cnc([C@H]2CCCN(Cc3cc(C(=O)[O-])sc3C)C2)s1 ZINC001599008940 998880304 /nfs/dbraw/zinc/88/03/04/998880304.db2.gz HEGIIERDJNNWNT-NSHDSACASA-N -1 3 380.491 3.377 20 0 GGADHM COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)s1 ZINC001599009129 998882015 /nfs/dbraw/zinc/88/20/15/998882015.db2.gz JLYZCSKOZQRVOC-GFCCVEGCSA-N -1 3 378.425 3.147 20 0 GGADHM COC(=O)c1cnc(CC2CCN([C@H](C(=O)[O-])c3ccsc3)CC2)s1 ZINC001599010047 998890564 /nfs/dbraw/zinc/89/05/64/998890564.db2.gz WRIBIFWKDFPNLT-HNNXBMFYSA-N -1 3 380.491 3.072 20 0 GGADHM COC(=O)c1sc(NC(=O)CN(CC(C)C)CC(C)(C)C)c(C(=O)[O-])c1C ZINC001599020554 998975620 /nfs/dbraw/zinc/97/56/20/998975620.db2.gz CQCWLHZIVSALSK-UHFFFAOYSA-N -1 3 398.525 3.484 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CN1Cc1ccccc1 ZINC001594257478 998990917 /nfs/dbraw/zinc/99/09/17/998990917.db2.gz GWBHACYNCBCAGR-UZLBHIALSA-N -1 3 381.476 3.488 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC001594258723 998997395 /nfs/dbraw/zinc/99/73/95/998997395.db2.gz ZDRRGLNKPXMPIA-WFASDCNBSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594261539 999010910 /nfs/dbraw/zinc/01/09/10/999010910.db2.gz XKUHBOAETHDCGR-DZGCQCFKSA-N -1 3 385.464 3.421 20 0 GGADHM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1[C@H](C)CC[C@@H]1C ZINC001594300476 999160378 /nfs/dbraw/zinc/16/03/78/999160378.db2.gz SGWMXHXOCDLEHA-NWJSVONSSA-N -1 3 388.386 3.088 20 0 GGADHM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300512 999160889 /nfs/dbraw/zinc/16/08/89/999160889.db2.gz TWELNMNCJFAKMG-ZWUHOBOKSA-N -1 3 397.313 3.295 20 0 GGADHM C[C@@H]1CC[C@@](NCc2cc(=O)n3cc(Cl)ccc3n2)(C(=O)[O-])c2ccccc21 ZINC001594320706 999231732 /nfs/dbraw/zinc/23/17/32/999231732.db2.gz MVHNUFXKVLQTBQ-ASSNKEHSSA-N -1 3 397.862 3.315 20 0 GGADHM C[C@@H]1CC[C@@](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)(C(=O)[O-])c2ccccc21 ZINC001594324484 999251846 /nfs/dbraw/zinc/25/18/46/999251846.db2.gz ZJKHDCKMLGYBDX-IFZYUDKTSA-N -1 3 376.472 3.193 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])n2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594383372 999447643 /nfs/dbraw/zinc/44/76/43/999447643.db2.gz ISCXPNYKCLDZDQ-GOEBONIOSA-N -1 3 379.501 3.239 20 0 GGADHM C[C@H]1CCCN(Cc2cccc(C(=O)[O-])n2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594383828 999451198 /nfs/dbraw/zinc/45/11/98/999451198.db2.gz MAHUCVVOABTGMH-WMLDXEAASA-N -1 3 377.485 3.295 20 0 GGADHM C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C[C@H]1CC(=O)[O-] ZINC001594412467 999541326 /nfs/dbraw/zinc/54/13/26/999541326.db2.gz MSKKPGCOGVCYQP-MISYRCLQSA-N -1 3 387.524 3.212 20 0 GGADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2Br)C[C@@H]1n1ccnc1 ZINC001594412617 999541670 /nfs/dbraw/zinc/54/16/70/999541670.db2.gz POOQXIZRGIWGRN-UHOFOFEASA-N -1 3 378.270 3.354 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2cccs2)CC1 ZINC001594412619 999541940 /nfs/dbraw/zinc/54/19/40/999541940.db2.gz PRFZQIIGFMTAIX-BBWFWOEESA-N -1 3 393.553 3.273 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c2ccccc2)CC1 ZINC001594412687 999542568 /nfs/dbraw/zinc/54/25/68/999542568.db2.gz RBSCDSQTRWPKLN-DENIHFKCSA-N -1 3 387.524 3.356 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2cccc(CC(=O)[O-])n2)c2ccccc2)CC1 ZINC001594424818 999589485 /nfs/dbraw/zinc/58/94/85/999589485.db2.gz ZDKIIYTXSGLNIV-LJQANCHMSA-N -1 3 396.491 3.303 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CNC(C)(C)[C@@H]3CCCCO3)c2C(=O)[O-])C1 ZINC001594443171 999630832 /nfs/dbraw/zinc/63/08/32/999630832.db2.gz ATCPBMYTIHWWRC-DOMZBBRYSA-N -1 3 394.537 3.447 20 0 GGADHM CCCOc1c(Cl)cc(CN[C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1OC ZINC000426724622 1126082861 /nfs/dbraw/zinc/08/28/61/1126082861.db2.gz UKSZUOIUBWEYNK-INIZCTEOSA-N -1 3 395.887 3.194 20 0 GGADHM CCCOc1c(Cl)cc(CN[C@H](Cn2nc(C)cc2C)C(=O)[O-])cc1OC ZINC000426724623 1126082883 /nfs/dbraw/zinc/08/28/83/1126082883.db2.gz UKSZUOIUBWEYNK-MRXNPFEDSA-N -1 3 395.887 3.194 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1csc(-c2cccs2)n1 ZINC000426774293 1126089711 /nfs/dbraw/zinc/08/97/11/1126089711.db2.gz UDHMGVZKLSDRIE-CYBMUJFWSA-N -1 3 388.470 3.386 20 0 GGADHM CCCCn1nc(C)c(CN[C@@H](Cc2cccc(OC)c2)C(=O)[O-])c1Cl ZINC000864513665 1126113600 /nfs/dbraw/zinc/11/36/00/1126113600.db2.gz FSVJWBXJUKMRRN-KRWDZBQOSA-N -1 3 379.888 3.439 20 0 GGADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@@H](Cc1cc[nH]n1)C(=O)[O-] ZINC000900058849 1126128505 /nfs/dbraw/zinc/12/85/05/1126128505.db2.gz HQTJTXADNLVQSN-INIZCTEOSA-N -1 3 387.871 3.158 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(C(F)(F)F)s1 ZINC000904004534 1126131661 /nfs/dbraw/zinc/13/16/61/1126131661.db2.gz CQTOPFXUQXVSOW-MRVPVSSYSA-N -1 3 387.305 3.225 20 0 GGADHM Cc1nn(C)c(Cl)c1CN[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000904030899 1126132166 /nfs/dbraw/zinc/13/21/66/1126132166.db2.gz DXBBJCNPNZGKAP-CYBMUJFWSA-N -1 3 391.777 3.066 20 0 GGADHM CC(C)Oc1cc(Cl)c(CN[C@@H](Cc2ccncn2)C(=O)[O-])cc1Cl ZINC001118978537 1126146921 /nfs/dbraw/zinc/14/69/21/1126146921.db2.gz CQMVLACDBSKZNQ-HNNXBMFYSA-N -1 3 384.263 3.356 20 0 GGADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cnc(CCc2ccccc2)s1 ZINC001327471338 1126174135 /nfs/dbraw/zinc/17/41/35/1126174135.db2.gz SNCLNBRWVITCFI-INIZCTEOSA-N -1 3 390.896 3.021 20 0 GGADHM Cc1ccc(C[C@H](CO)NCc2oc(Br)cc2C(=O)[O-])cc1C ZINC001600402795 1126218748 /nfs/dbraw/zinc/21/87/48/1126218748.db2.gz SWIDIBLOGICWLA-CYBMUJFWSA-N -1 3 382.254 3.050 20 0 GGADHM Cc1cnc(CN[C@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)s1 ZINC001600620911 1126219617 /nfs/dbraw/zinc/21/96/17/1126219617.db2.gz HLTYTLQLOQPULR-MRXNPFEDSA-N -1 3 381.295 3.316 20 0 GGADHM O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601658308 1126223413 /nfs/dbraw/zinc/22/34/13/1126223413.db2.gz UFIHQGNSXLGVJW-SFHVURJKSA-N -1 3 389.411 3.381 20 0 GGADHM COC(=O)c1ccc(OC)c(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001606601181 1126232145 /nfs/dbraw/zinc/23/21/45/1126232145.db2.gz PSOFDODQPWAMTI-QGZVFWFLSA-N -1 3 383.400 3.014 20 0 GGADHM COc1cc(-c2nc(CN[C@@H](Cc3ccccc3)C(=O)[O-])cs2)ccc1O ZINC001607046515 1126232414 /nfs/dbraw/zinc/23/24/14/1126232414.db2.gz YOHAVTXAQAJFOM-INIZCTEOSA-N -1 3 384.457 3.310 20 0 GGADHM COc1cccc(C[C@@H](NCc2coc(-c3ccccc3OC)n2)C(=O)[O-])c1 ZINC001607322084 1126233481 /nfs/dbraw/zinc/23/34/81/1126233481.db2.gz QWAFQEFEZIWBKL-GOSISDBHSA-N -1 3 382.416 3.144 20 0 GGADHM Cc1nn(-c2ccccc2)c(Cl)c1CN[C@H](Cc1cncs1)C(=O)[O-] ZINC001607995628 1126235456 /nfs/dbraw/zinc/23/54/56/1126235456.db2.gz MRPZELKGUZMVAW-OAHLLOKOSA-N -1 3 376.869 3.076 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(F)cc1I ZINC001608542335 1126237393 /nfs/dbraw/zinc/23/73/93/1126237393.db2.gz RUFRZEJFGLLWQZ-OAHLLOKOSA-N -1 3 399.203 3.216 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1Br)NCc1nc(Cl)cs1 ZINC001608542926 1126237646 /nfs/dbraw/zinc/23/76/46/1126237646.db2.gz ZQAPXAFZIVTPMX-SNVBAGLBSA-N -1 3 375.675 3.345 20 0 GGADHM Cc1ccc(N2C(=O)C[C@@H](C(=O)[N-]C3=NCCS3)[C@H]2c2cccs2)cc1 ZINC000011499167 230875762 /nfs/dbraw/zinc/87/57/62/230875762.db2.gz ZQWIVOPBLLHXHP-PBHICJAKSA-N -1 3 385.514 3.370 20 0 GGADHM CCc1nn(C)c(CC)c1CNc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000408516900 529766811 /nfs/dbraw/zinc/76/68/11/529766811.db2.gz VQUXGSJMJXHXDB-UHFFFAOYSA-N -1 3 396.532 3.373 20 0 GGADHM Cc1ccc(-c2csc3[n-]c(CSc4nncn4C)nc(=O)c23)s1 ZINC000007286976 209132130 /nfs/dbraw/zinc/13/21/30/209132130.db2.gz CJQSHOMEAFNFIU-UHFFFAOYSA-N -1 3 375.504 3.442 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1)c1cnc(Cl)c(Br)c1 ZINC000000703790 206317443 /nfs/dbraw/zinc/31/74/43/206317443.db2.gz UVMMBIJMYYFLRB-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3O)cc2)cc1 ZINC000006590426 206657220 /nfs/dbraw/zinc/65/72/20/206657220.db2.gz PVNZTQVECOJIDK-UHFFFAOYSA-N -1 3 383.429 3.149 20 0 GGADHM C[C@H](Sc1ncnc2sccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007026422 206700334 /nfs/dbraw/zinc/70/03/34/206700334.db2.gz WWZUYMVQFZOGHA-JTQLQIEISA-N -1 3 393.515 3.426 20 0 GGADHM CCCN(CC(=O)Nc1ccc(C)c(F)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000010088377 206807780 /nfs/dbraw/zinc/80/77/80/206807780.db2.gz ISNDMRCZPRUZSM-UHFFFAOYSA-N -1 3 388.468 3.283 20 0 GGADHM CON(C)C(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000014060801 207008165 /nfs/dbraw/zinc/00/81/65/207008165.db2.gz NAOSKAUWVVTKCD-LLVKDONJSA-N -1 3 389.502 3.293 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000014102428 207010481 /nfs/dbraw/zinc/01/04/81/207010481.db2.gz ORGMHFFVSKAZSH-UHFFFAOYSA-N -1 3 382.835 3.264 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1 ZINC000014200354 207014964 /nfs/dbraw/zinc/01/49/64/207014964.db2.gz NUDHWAVCQVEMRQ-UHFFFAOYSA-N -1 3 399.852 3.319 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)Cc2csc(-c3cccs3)n2)on1 ZINC000014572859 207023383 /nfs/dbraw/zinc/02/33/83/207023383.db2.gz PZEKQBKKCCXYMV-SNVBAGLBSA-N -1 3 377.447 3.281 20 0 GGADHM Cc1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)c([O-])c1 ZINC000015721221 207055933 /nfs/dbraw/zinc/05/59/33/207055933.db2.gz XHVUXWZKUMVLBW-UHFFFAOYSA-N -1 3 393.369 3.345 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000015419721 207051710 /nfs/dbraw/zinc/05/17/10/207051710.db2.gz ZBCWILRAOHFRNP-CQSZACIVSA-N -1 3 376.453 3.499 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3CCCc4ccccc43)nc2n1 ZINC000016045925 207071628 /nfs/dbraw/zinc/07/16/28/207071628.db2.gz LYVWLZOFQCPVAJ-UHFFFAOYSA-N -1 3 380.473 3.006 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000017331650 207089557 /nfs/dbraw/zinc/08/95/57/207089557.db2.gz YEVKXPIHMWYWII-UHFFFAOYSA-N -1 3 382.888 3.422 20 0 GGADHM C[C@@H]1CCCN(C(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)C1 ZINC000021113094 207225561 /nfs/dbraw/zinc/22/55/61/207225561.db2.gz YWWGUJPRUVNWNU-GFCCVEGCSA-N -1 3 380.901 3.388 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(NC(N)=O)cc3)nc(=O)c2c1C ZINC000022616895 207257750 /nfs/dbraw/zinc/25/77/50/207257750.db2.gz XSEFUMVJEFEAHX-VIFPVBQESA-N -1 3 386.433 3.010 20 0 GGADHM CCCCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000022618958 207257772 /nfs/dbraw/zinc/25/77/72/207257772.db2.gz VPLRWNFEAGPZGA-SFHVURJKSA-N -1 3 392.496 3.022 20 0 GGADHM O=C([N-]c1nc[nH]n1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000023140780 207270014 /nfs/dbraw/zinc/27/00/14/207270014.db2.gz VNBQXUBNAOQCPP-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC1CCCCC1 ZINC000024972813 207297239 /nfs/dbraw/zinc/29/72/39/207297239.db2.gz UUUSVRBRQNXKGG-ZDUSSCGKSA-N -1 3 397.504 3.451 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1ccco1 ZINC000024222865 207288880 /nfs/dbraw/zinc/28/88/80/207288880.db2.gz HUKZWYDSVJKMEH-UHFFFAOYSA-N -1 3 380.647 3.183 20 0 GGADHM O=C(Nc1ncccc1[O-])c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000024469370 207292438 /nfs/dbraw/zinc/29/24/38/207292438.db2.gz MTZLENZZYPUSLG-UHFFFAOYSA-N -1 3 381.392 3.488 20 0 GGADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000026233856 207311952 /nfs/dbraw/zinc/31/19/52/207311952.db2.gz FRVKJELDYYZSBK-CQSZACIVSA-N -1 3 395.352 3.019 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000026541519 207315996 /nfs/dbraw/zinc/31/59/96/207315996.db2.gz FEASWCHIFREQCX-UHFFFAOYSA-N -1 3 394.758 3.138 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000026541597 207316465 /nfs/dbraw/zinc/31/64/65/207316465.db2.gz PYOPRPBUURLVFG-UHFFFAOYSA-N -1 3 394.758 3.138 20 0 GGADHM CC(C)(C)c1ccc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)cc1 ZINC000027935624 207333823 /nfs/dbraw/zinc/33/38/23/207333823.db2.gz QCTKLMLXUUXCDC-UHFFFAOYSA-N -1 3 376.478 3.316 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1ccc2c(c1)OCCCO2 ZINC000028782328 207348455 /nfs/dbraw/zinc/34/84/55/207348455.db2.gz HNAFKALXTGICFK-UHFFFAOYSA-N -1 3 383.809 3.031 20 0 GGADHM CSc1ccc(-c2csc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000031226856 207379898 /nfs/dbraw/zinc/37/98/98/207379898.db2.gz HARZUKGSPGMHPY-UHFFFAOYSA-N -1 3 386.502 3.413 20 0 GGADHM C[C@@H](NC(=O)CSc1nc2nncc-2c(O)[n-]1)c1ccc2ccccc2c1 ZINC000031611003 207382537 /nfs/dbraw/zinc/38/25/37/207382537.db2.gz XVNHNPIVCAXWQA-LLVKDONJSA-N -1 3 379.445 3.181 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1F ZINC000032435496 207394293 /nfs/dbraw/zinc/39/42/93/207394293.db2.gz RMCIEQUAZCODET-OAHLLOKOSA-N -1 3 382.888 3.422 20 0 GGADHM CCOc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(Br)c1[O-] ZINC000052933547 207720131 /nfs/dbraw/zinc/72/01/31/207720131.db2.gz CAZCOGRYBUMEAH-QPEQYQDCSA-N -1 3 388.217 3.364 20 0 GGADHM Cc1ccc(C)c(OC2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)c1 ZINC000065746159 207877308 /nfs/dbraw/zinc/87/73/08/207877308.db2.gz JGKWOAZVDISXEZ-UHFFFAOYSA-N -1 3 383.492 3.006 20 0 GGADHM C[C@]1(c2cccc(C(=O)Nc3ccc(OC4CCCC4)cc3)c2)NC(=O)[N-]C1=O ZINC000084668191 208095899 /nfs/dbraw/zinc/09/58/99/208095899.db2.gz UVZCOFTVDHQOTH-JOCHJYFZSA-N -1 3 393.443 3.315 20 0 GGADHM C[C@@]1(c2cccc(C(=O)Nc3ccc(OC4CCCC4)cc3)c2)NC(=O)[N-]C1=O ZINC000084668190 208096053 /nfs/dbraw/zinc/09/60/53/208096053.db2.gz UVZCOFTVDHQOTH-QFIPXVFZSA-N -1 3 393.443 3.315 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn4cc(C)nc4s3)c2)n1 ZINC000089282731 208104354 /nfs/dbraw/zinc/10/43/54/208104354.db2.gz FAGWISRWMXBRBM-UHFFFAOYSA-N -1 3 379.445 3.269 20 0 GGADHM CC(C)N(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000089869502 208111641 /nfs/dbraw/zinc/11/16/41/208111641.db2.gz FDEVAFVRNJZKJW-UHFFFAOYSA-N -1 3 396.228 3.146 20 0 GGADHM C[C@]1(c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)NC(=O)[N-]C1=O ZINC000095963527 208245714 /nfs/dbraw/zinc/24/57/14/208245714.db2.gz XEZLDBVQZGSQDK-HXUWFJFHSA-N -1 3 392.440 3.117 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3[S@@](=O)CC)c2)n1 ZINC000096998433 208334534 /nfs/dbraw/zinc/33/45/34/208334534.db2.gz XQCPHUMTASTDFM-MUUNZHRXSA-N -1 3 395.484 3.379 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000048332418 525891360 /nfs/dbraw/zinc/89/13/60/525891360.db2.gz JMXOFQKMEPSSHH-KRWDZBQOSA-N -1 3 377.322 3.012 20 0 GGADHM O=C([O-])CCCN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000116391788 564209185 /nfs/dbraw/zinc/20/91/85/564209185.db2.gz PBZFYWSOMNMJTQ-UHFFFAOYSA-N -1 3 395.219 3.455 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1cc(F)cc(F)c1 ZINC000014210626 564280381 /nfs/dbraw/zinc/28/03/81/564280381.db2.gz XGRPFTKCOOOJOO-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1csc(Br)c1 ZINC000024896967 564334302 /nfs/dbraw/zinc/33/43/02/564334302.db2.gz MMYQYMJMTWUFOU-UHFFFAOYSA-N -1 3 375.269 3.134 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000026880290 564350841 /nfs/dbraw/zinc/35/08/41/564350841.db2.gz KCWSSJAAEGPXAX-JTQLQIEISA-N -1 3 390.324 3.429 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCC1 ZINC000125308279 564510183 /nfs/dbraw/zinc/51/01/83/564510183.db2.gz KYTQHARAHZZILH-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cscc2Br)CCO1 ZINC000632185679 566858783 /nfs/dbraw/zinc/85/87/83/566858783.db2.gz IFNOQWZBFUBBTJ-QWRGUYRKSA-N -1 3 382.345 3.383 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)sc1Br ZINC000443378964 567753306 /nfs/dbraw/zinc/75/33/06/567753306.db2.gz KJIBIKAMVXPVAJ-LLVKDONJSA-N -1 3 382.345 3.039 20 0 GGADHM COc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000114688296 564180615 /nfs/dbraw/zinc/18/06/15/564180615.db2.gz WBWIKPORIKNYEQ-UHFFFAOYSA-N -1 3 394.396 3.399 20 0 GGADHM Cc1ccc([C@H]2CCCN2C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000114707083 564181605 /nfs/dbraw/zinc/18/16/05/564181605.db2.gz SOVXJTZJSUTFIO-QWHCGFSZSA-N -1 3 384.548 3.149 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCCCCC1 ZINC000002630195 564188346 /nfs/dbraw/zinc/18/83/46/564188346.db2.gz VMXUEHLILCPAAO-UHFFFAOYSA-N -1 3 398.834 3.040 20 0 GGADHM CC(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000115394199 564192515 /nfs/dbraw/zinc/19/25/15/564192515.db2.gz IWWJGPHGRWQQSN-MRXNPFEDSA-N -1 3 386.926 3.193 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000115454582 564194425 /nfs/dbraw/zinc/19/44/25/564194425.db2.gz SEQZRAYASQXZQR-TZMCWYRMSA-N -1 3 398.937 3.084 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2cccc(Br)c2)CC1 ZINC000115582641 564195057 /nfs/dbraw/zinc/19/50/57/564195057.db2.gz DDFHPMCNIWMFFB-UHFFFAOYSA-N -1 3 385.283 3.064 20 0 GGADHM C[C@@H]1CN(C(=O)CSc2nnc([N-]c3ccccc3F)s2)C[C@@H](C)O1 ZINC000003469408 564197644 /nfs/dbraw/zinc/19/76/44/564197644.db2.gz LWJKLKPILSZBDL-GHMZBOCLSA-N -1 3 382.486 3.149 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000115656215 564197800 /nfs/dbraw/zinc/19/78/00/564197800.db2.gz WZBYFHBAESNDLJ-GFCCVEGCSA-N -1 3 398.937 3.432 20 0 GGADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000115780333 564198142 /nfs/dbraw/zinc/19/81/42/564198142.db2.gz BHLVNPHEYZEARR-UHFFFAOYSA-N -1 3 380.897 3.463 20 0 GGADHM CC1CCN([C@H](C[N-]S(=O)(=O)c2cncc(F)c2)c2cccs2)CC1 ZINC000116106929 564203263 /nfs/dbraw/zinc/20/32/63/564203263.db2.gz MVFHWBRANQMVEF-MRXNPFEDSA-N -1 3 383.514 3.034 20 0 GGADHM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000116158335 564204456 /nfs/dbraw/zinc/20/44/56/564204456.db2.gz KBDDPNBOAXOVTQ-UHFFFAOYSA-N -1 3 394.301 3.339 20 0 GGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116332860 564208226 /nfs/dbraw/zinc/20/82/26/564208226.db2.gz BZLJQRYOPBTTDM-NSHDSACASA-N -1 3 389.315 3.191 20 0 GGADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000004879353 564208355 /nfs/dbraw/zinc/20/83/55/564208355.db2.gz BCRJJKCJURHFNM-UHFFFAOYSA-N -1 3 397.294 3.260 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000116356325 564208324 /nfs/dbraw/zinc/20/83/24/564208324.db2.gz NRLDYFRWZPOZGV-RYUDHWBXSA-N -1 3 393.336 3.355 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nncs3)nc(=O)c2c1C ZINC000004938650 564209505 /nfs/dbraw/zinc/20/95/05/564209505.db2.gz NOWJTWJJIXGBCE-SSDOTTSWSA-N -1 3 382.492 3.175 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nccs1 ZINC000116377427 564209552 /nfs/dbraw/zinc/20/95/52/564209552.db2.gz MIHYUPIZDWYGJF-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n1 ZINC000116378199 564209731 /nfs/dbraw/zinc/20/97/31/564209731.db2.gz ZEUSCFFEEPHQBP-UHFFFAOYSA-N -1 3 388.898 3.090 20 0 GGADHM Cc1cccc(N2CCC(NC(=O)c3cc(Br)ccc3[O-])CC2)n1 ZINC000116667632 564214017 /nfs/dbraw/zinc/21/40/17/564214017.db2.gz MPMMFTFXSWLRHN-UHFFFAOYSA-N -1 3 390.281 3.257 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1Cl ZINC000116711859 564215106 /nfs/dbraw/zinc/21/51/06/564215106.db2.gz NBNKTQLPQVSKJP-HSZRJFAPSA-N -1 3 387.910 3.336 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000116996996 564221036 /nfs/dbraw/zinc/22/10/36/564221036.db2.gz BGZKSMXZUXNRIA-UHFFFAOYSA-N -1 3 378.797 3.276 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c(C)c1C ZINC000117230074 564223370 /nfs/dbraw/zinc/22/33/70/564223370.db2.gz HRGMJFZKJQXIRH-XMMPIXPASA-N -1 3 381.519 3.300 20 0 GGADHM COCCNc1nnc(SCc2cc(=O)oc3c(C)c([O-])ccc23)s1 ZINC000006404932 564223408 /nfs/dbraw/zinc/22/34/08/564223408.db2.gz ZQXJLAJVCQAOJI-UHFFFAOYSA-N -1 3 379.463 3.009 20 0 GGADHM O=C(Nc1ccnc2ccnn21)c1n[n-]c(-c2ccccc2)c1Br ZINC000117414282 564227606 /nfs/dbraw/zinc/22/76/06/564227606.db2.gz WBXCFVKQLBFZTP-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM O=C(Nc1ccnc2ccnn21)c1[n-]nc(-c2ccccc2)c1Br ZINC000117414282 564227610 /nfs/dbraw/zinc/22/76/10/564227610.db2.gz WBXCFVKQLBFZTP-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM O=S(=O)([N-]c1ccccc1I)c1cccc(F)c1 ZINC000007053684 564231538 /nfs/dbraw/zinc/23/15/38/564231538.db2.gz QTPHBDCIHOGMQL-UHFFFAOYSA-N -1 3 377.178 3.231 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1Cl ZINC000117859258 564233001 /nfs/dbraw/zinc/23/30/01/564233001.db2.gz YUWXRRWGSKJCTJ-VIFPVBQESA-N -1 3 393.317 3.211 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000007146632 564233102 /nfs/dbraw/zinc/23/31/02/564233102.db2.gz BCZXLCBYTNFHIN-NSHDSACASA-N -1 3 385.283 3.282 20 0 GGADHM CC(C)Oc1c(Cl)cccc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000118349951 564239993 /nfs/dbraw/zinc/23/99/93/564239993.db2.gz YRFXNFQLJLJJBG-UHFFFAOYSA-N -1 3 388.898 3.106 20 0 GGADHM CCn1nnnc1SCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000008216314 564247079 /nfs/dbraw/zinc/24/70/79/564247079.db2.gz CSRVBQFDXUGTQZ-UHFFFAOYSA-N -1 3 390.519 3.320 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000008352875 564248632 /nfs/dbraw/zinc/24/86/32/564248632.db2.gz GBIJTGDCUWIHLG-UHFFFAOYSA-N -1 3 398.815 3.494 20 0 GGADHM Cc1cc(C)c([N-]c2nnc(SCc3nc(N)nc(N)n3)s2)c(Cl)c1 ZINC000008355794 564248836 /nfs/dbraw/zinc/24/88/36/564248836.db2.gz DJLMNZDJMYSNOG-UHFFFAOYSA-N -1 3 394.917 3.194 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000009115322 564252989 /nfs/dbraw/zinc/25/29/89/564252989.db2.gz IFPXNKZWNUSJPO-CQSZACIVSA-N -1 3 385.873 3.342 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(Cl)cc1F ZINC000009377986 564253078 /nfs/dbraw/zinc/25/30/78/564253078.db2.gz PQUOLRTVJXEURC-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)cc1OC ZINC000119080928 564253973 /nfs/dbraw/zinc/25/39/73/564253973.db2.gz PFSJMLFWTDWKQP-VIFPVBQESA-N -1 3 375.368 3.161 20 0 GGADHM O=C(NCC1(C2CC2)CC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000119143676 564256851 /nfs/dbraw/zinc/25/68/51/564256851.db2.gz WLUQZPWNJSUHIW-UHFFFAOYSA-N -1 3 396.559 3.208 20 0 GGADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC[C@H]1CCCO1 ZINC000010316379 564257095 /nfs/dbraw/zinc/25/70/95/564257095.db2.gz SFDOZQLFZRVNPC-GHMZBOCLSA-N -1 3 382.486 3.197 20 0 GGADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119145844 564257516 /nfs/dbraw/zinc/25/75/16/564257516.db2.gz LXQWVUDBLBIUOV-JTQLQIEISA-N -1 3 389.253 3.270 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 ZINC000010491266 564258102 /nfs/dbraw/zinc/25/81/02/564258102.db2.gz LYQSEHNNTMYSPZ-UHFFFAOYSA-N -1 3 395.214 3.189 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000119179808 564258412 /nfs/dbraw/zinc/25/84/12/564258412.db2.gz KTVZEZCSFPNUES-GJZGRUSLSA-N -1 3 383.286 3.302 20 0 GGADHM COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000011051140 564261607 /nfs/dbraw/zinc/26/16/07/564261607.db2.gz JHETVMSZZBBZTH-NSHDSACASA-N -1 3 382.258 3.213 20 0 GGADHM COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000011051138 564261652 /nfs/dbraw/zinc/26/16/52/564261652.db2.gz JHETVMSZZBBZTH-LLVKDONJSA-N -1 3 382.258 3.213 20 0 GGADHM COc1ccc(CCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1Br ZINC000119279941 564262721 /nfs/dbraw/zinc/26/27/21/564262721.db2.gz HELOFJHWIIAODZ-UHFFFAOYSA-N -1 3 391.225 3.407 20 0 GGADHM COc1ccc(CCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1Br ZINC000119279941 564262724 /nfs/dbraw/zinc/26/27/24/564262724.db2.gz HELOFJHWIIAODZ-UHFFFAOYSA-N -1 3 391.225 3.407 20 0 GGADHM COc1ccc(CCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1Br ZINC000119279941 564262727 /nfs/dbraw/zinc/26/27/27/564262727.db2.gz HELOFJHWIIAODZ-UHFFFAOYSA-N -1 3 391.225 3.407 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000011595696 564263600 /nfs/dbraw/zinc/26/36/00/564263600.db2.gz LEWIESUPGLHKLQ-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ncc(-c2ccccc2)s1 ZINC000119311761 564265437 /nfs/dbraw/zinc/26/54/37/564265437.db2.gz SQXOFYOKXBCHQL-UHFFFAOYSA-N -1 3 393.515 3.179 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](c3ccco3)N(C)C)s2)cs1 ZINC000119324559 564265846 /nfs/dbraw/zinc/26/58/46/564265846.db2.gz VSXCTVHXGUYKLD-CYBMUJFWSA-N -1 3 397.547 3.354 20 0 GGADHM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000012141491 564266057 /nfs/dbraw/zinc/26/60/57/564266057.db2.gz RPLKHJAUUMIPDQ-UHFFFAOYSA-N -1 3 385.316 3.330 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(F)cc1 ZINC000012345736 564267190 /nfs/dbraw/zinc/26/71/90/564267190.db2.gz VBLQNFFDKZOUDK-UHFFFAOYSA-N -1 3 391.251 3.440 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)ccc1Br ZINC000012775173 564270442 /nfs/dbraw/zinc/27/04/42/564270442.db2.gz PNYMGVOEXBXDIB-UHFFFAOYSA-N -1 3 393.266 3.139 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000119446541 564271302 /nfs/dbraw/zinc/27/13/02/564271302.db2.gz QQQMERFBOZJIGQ-SNVBAGLBSA-N -1 3 382.835 3.121 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1ccc(Br)cc1Cl ZINC000012783654 564271804 /nfs/dbraw/zinc/27/18/04/564271804.db2.gz KSCFICKBEMHMJK-UHFFFAOYSA-N -1 3 393.734 3.008 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCCOc1cccc2cccnc21 ZINC000119472434 564272600 /nfs/dbraw/zinc/27/26/00/564272600.db2.gz URXSLPFRSRZVSA-UHFFFAOYSA-N -1 3 378.475 3.052 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C(C)(C)C)no1 ZINC000119612980 564279342 /nfs/dbraw/zinc/27/93/42/564279342.db2.gz ABSHBDQDXYUSOK-SECBINFHSA-N -1 3 397.273 3.396 20 0 GGADHM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000014098611 564279400 /nfs/dbraw/zinc/27/94/00/564279400.db2.gz CBFZXXUMQRLYOY-RYUDHWBXSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000014098688 564279404 /nfs/dbraw/zinc/27/94/04/564279404.db2.gz GFHHSXQDPJMPGU-VXGBXAGGSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000014098670 564279731 /nfs/dbraw/zinc/27/97/31/564279731.db2.gz VLVUDVPPJLUBQJ-TXEJJXNPSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000014098610 564279750 /nfs/dbraw/zinc/27/97/50/564279750.db2.gz CBFZXXUMQRLYOY-TXEJJXNPSA-N -1 3 395.352 3.160 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000015099248 564284436 /nfs/dbraw/zinc/28/44/36/564284436.db2.gz PWYFSWODWSHXBY-UHFFFAOYSA-N -1 3 392.786 3.433 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000015411683 564287402 /nfs/dbraw/zinc/28/74/02/564287402.db2.gz SFEIYINQUCLUFV-UHFFFAOYSA-N -1 3 391.251 3.440 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000015422321 564287582 /nfs/dbraw/zinc/28/75/82/564287582.db2.gz ONTXSRXUMWLBPT-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM COC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(C)o1 ZINC000119798089 564288712 /nfs/dbraw/zinc/28/87/12/564288712.db2.gz QNKGTFBRZVUJKK-CYBMUJFWSA-N -1 3 383.242 3.243 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cccc4c3OCO4)s2)cs1 ZINC000119851490 564291611 /nfs/dbraw/zinc/29/16/11/564291611.db2.gz DESVDQUXUZWJGX-UHFFFAOYSA-N -1 3 394.499 3.387 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCCC2)c1 ZINC000119877998 564293097 /nfs/dbraw/zinc/29/30/97/564293097.db2.gz BSKDIZKNUGPUJK-UHFFFAOYSA-N -1 3 381.523 3.011 20 0 GGADHM O=C(Nc1nccs1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000016641424 564295295 /nfs/dbraw/zinc/29/52/95/564295295.db2.gz JTUNFGUHSVGUBW-UHFFFAOYSA-N -1 3 377.422 3.335 20 0 GGADHM O=S(=O)([N-]CCNc1nc(C(F)F)nc2ccccc21)c1cccs1 ZINC000119999107 564298875 /nfs/dbraw/zinc/29/88/75/564298875.db2.gz OMBGZHBPGPQDBR-UHFFFAOYSA-N -1 3 384.433 3.019 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nccn1C ZINC000017522431 564299432 /nfs/dbraw/zinc/29/94/32/564299432.db2.gz NLRDIQRWYZQCTN-OAHLLOKOSA-N -1 3 397.909 3.212 20 0 GGADHM Cc1cc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)nc(C(C)C)n1 ZINC000509529235 564303436 /nfs/dbraw/zinc/30/34/36/564303436.db2.gz XGTSZKAFDLXRMI-UHFFFAOYSA-N -1 3 386.880 3.091 20 0 GGADHM O=S(=O)([N-]CCNc1nc2cc(F)ccc2o1)c1ccc(F)cc1Cl ZINC000509522752 564303470 /nfs/dbraw/zinc/30/34/70/564303470.db2.gz ISHDIIZEHJMQKI-UHFFFAOYSA-N -1 3 387.795 3.150 20 0 GGADHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)NCc1ccco1 ZINC000021112413 564308949 /nfs/dbraw/zinc/30/89/49/564308949.db2.gz AXAJCAFWWUHGQN-UHFFFAOYSA-N -1 3 378.841 3.039 20 0 GGADHM CCCN(CCC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000021220849 564309979 /nfs/dbraw/zinc/30/99/79/564309979.db2.gz IICZBAYDNLHEQX-UHFFFAOYSA-N -1 3 381.325 3.310 20 0 GGADHM O=C(Nc1nncs1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000021214876 564310007 /nfs/dbraw/zinc/31/00/07/564310007.db2.gz RFUCYTGVCJTCAM-UHFFFAOYSA-N -1 3 394.865 3.245 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(Br)cc1C ZINC000120235934 564311014 /nfs/dbraw/zinc/31/10/14/564311014.db2.gz YQHCOPFRGSTEJT-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000120234580 564311145 /nfs/dbraw/zinc/31/11/45/564311145.db2.gz NAFCLGAYWBGDCY-ZDUSSCGKSA-N -1 3 384.523 3.444 20 0 GGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000120245981 564312200 /nfs/dbraw/zinc/31/22/00/564312200.db2.gz NEBJYRBDXVPPIH-UHFFFAOYSA-N -1 3 394.896 3.047 20 0 GGADHM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1ccccc1F ZINC000021871390 564313121 /nfs/dbraw/zinc/31/31/21/564313121.db2.gz KXWGZDCYYFJAMC-UHFFFAOYSA-N -1 3 377.359 3.383 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccc(OC)cc1)C(C)C ZINC000022412808 564317070 /nfs/dbraw/zinc/31/70/70/564317070.db2.gz QUIBMQWQOJPNHX-HNNXBMFYSA-N -1 3 383.491 3.219 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](c1ccc(OC)cc1)C(C)C ZINC000022412811 564317161 /nfs/dbraw/zinc/31/71/61/564317161.db2.gz QUIBMQWQOJPNHX-OAHLLOKOSA-N -1 3 383.491 3.219 20 0 GGADHM O=S(=O)([N-]c1ccc(CN2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000120384122 564317826 /nfs/dbraw/zinc/31/78/26/564317826.db2.gz QECAKFCKCQARSK-UHFFFAOYSA-N -1 3 384.860 3.112 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCN(C4CCCC4)C3)s2)cs1 ZINC000120417136 564318816 /nfs/dbraw/zinc/31/88/16/564318816.db2.gz VGTXGUOLFNRCSD-ZDUSSCGKSA-N -1 3 397.591 3.475 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)NCC1(c2cccs2)CCCCC1 ZINC000023237507 564323296 /nfs/dbraw/zinc/32/32/96/564323296.db2.gz YSWBTZGAZMYPKO-UHFFFAOYSA-N -1 3 398.575 3.106 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000023440787 564324271 /nfs/dbraw/zinc/32/42/71/564324271.db2.gz KUYXAOBAGLFLRQ-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCSc2ccc(Br)cc2)n[n-]1 ZINC000542834389 564327882 /nfs/dbraw/zinc/32/78/82/564327882.db2.gz GZDQVOHIKREIQU-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCSc2ccc(Br)cc2)[n-]n1 ZINC000542834389 564327886 /nfs/dbraw/zinc/32/78/86/564327886.db2.gz GZDQVOHIKREIQU-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000024307698 564329285 /nfs/dbraw/zinc/32/92/85/564329285.db2.gz XGVRSSSCFMGXJJ-NSHDSACASA-N -1 3 384.889 3.101 20 0 GGADHM O=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000024335628 564329851 /nfs/dbraw/zinc/32/98/51/564329851.db2.gz GHLOTYCUHMQXNV-UHFFFAOYSA-N -1 3 378.416 3.436 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000024649286 564332394 /nfs/dbraw/zinc/33/23/94/564332394.db2.gz ADIQCEMZKCYVEE-UHFFFAOYSA-N -1 3 398.815 3.337 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)s2)cs1 ZINC000120685266 564332402 /nfs/dbraw/zinc/33/24/02/564332402.db2.gz HFBJYQKEUAUWGK-JOCHJYFZSA-N -1 3 392.593 3.006 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000120694730 564332589 /nfs/dbraw/zinc/33/25/89/564332589.db2.gz GRXSDGKPEWDTEB-KWQFWETISA-N -1 3 389.857 3.162 20 0 GGADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120718769 564333355 /nfs/dbraw/zinc/33/33/55/564333355.db2.gz VMOXQOGPFVKGCW-UHFFFAOYSA-N -1 3 395.897 3.227 20 0 GGADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120718769 564333360 /nfs/dbraw/zinc/33/33/60/564333360.db2.gz VMOXQOGPFVKGCW-UHFFFAOYSA-N -1 3 395.897 3.227 20 0 GGADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120718769 564333365 /nfs/dbraw/zinc/33/33/65/564333365.db2.gz VMOXQOGPFVKGCW-UHFFFAOYSA-N -1 3 395.897 3.227 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000120807643 564338070 /nfs/dbraw/zinc/33/80/70/564338070.db2.gz GAAIMYWUPFGLQQ-CQSZACIVSA-N -1 3 380.535 3.261 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000120908762 564342296 /nfs/dbraw/zinc/34/22/96/564342296.db2.gz BJMOTDJBTNNTBG-CQSZACIVSA-N -1 3 384.498 3.152 20 0 GGADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000026233963 564344372 /nfs/dbraw/zinc/34/43/72/564344372.db2.gz KBVQROMOTWAZHC-CYBMUJFWSA-N -1 3 395.352 3.019 20 0 GGADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000026234036 564344671 /nfs/dbraw/zinc/34/46/71/564344671.db2.gz VKIHWRCSCOWQLD-CYBMUJFWSA-N -1 3 395.352 3.019 20 0 GGADHM CC(C)C[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000120959681 564344900 /nfs/dbraw/zinc/34/49/00/564344900.db2.gz MYGPOPLTTXKBLF-LLVKDONJSA-N -1 3 381.325 3.213 20 0 GGADHM CC(C)C[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000120959840 564345285 /nfs/dbraw/zinc/34/52/85/564345285.db2.gz MYGPOPLTTXKBLF-NSHDSACASA-N -1 3 381.325 3.213 20 0 GGADHM COc1ccc(Cl)cc1CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000026292702 564345505 /nfs/dbraw/zinc/34/55/05/564345505.db2.gz HHXMNISPXSQRKD-UHFFFAOYSA-N -1 3 386.832 3.040 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c(C)o1 ZINC000121016630 564348077 /nfs/dbraw/zinc/34/80/77/564348077.db2.gz SKNCQJBVCVLJIO-UHFFFAOYSA-N -1 3 388.239 3.246 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1cc(F)ccc1F ZINC000121020957 564348915 /nfs/dbraw/zinc/34/89/15/564348915.db2.gz QUAUSQFYADTVBB-LBPRGKRZSA-N -1 3 375.418 3.243 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1c(Cl)cccc1Cl ZINC000026838434 564350058 /nfs/dbraw/zinc/35/00/58/564350058.db2.gz QGLCCQBGDRTJFZ-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1ccc(Cl)cc1F ZINC000026863557 564350414 /nfs/dbraw/zinc/35/04/14/564350414.db2.gz NFMCDWJMAJWSOV-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C2CC2)s1 ZINC000026839164 564350618 /nfs/dbraw/zinc/35/06/18/564350618.db2.gz JJCPRGMKKOEVDL-SFHVURJKSA-N -1 3 378.519 3.122 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1ccc(Cl)s1 ZINC000026863324 564350937 /nfs/dbraw/zinc/35/09/37/564350937.db2.gz GPBYPDWFEOGVLV-UHFFFAOYSA-N -1 3 386.804 3.216 20 0 GGADHM C[C@H]1CCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000026978713 564351624 /nfs/dbraw/zinc/35/16/24/564351624.db2.gz IWBSTZVRRDQFIJ-FZMZJTMJSA-N -1 3 393.336 3.357 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000121086781 564352148 /nfs/dbraw/zinc/35/21/48/564352148.db2.gz JUSSRSFAHRWDGE-YGRLFVJLSA-N -1 3 375.899 3.465 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000121086608 564352386 /nfs/dbraw/zinc/35/23/86/564352386.db2.gz JUSSRSFAHRWDGE-HZMBPMFUSA-N -1 3 375.899 3.465 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(F)cc1Br ZINC000121143879 564356013 /nfs/dbraw/zinc/35/60/13/564356013.db2.gz PTPASCDXHZLISA-UHFFFAOYSA-N -1 3 387.230 3.059 20 0 GGADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc1 ZINC000027640984 564356346 /nfs/dbraw/zinc/35/63/46/564356346.db2.gz VPHCRUWBKFKWCV-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000027969834 564357794 /nfs/dbraw/zinc/35/77/94/564357794.db2.gz XLJKPPPDPRRGCO-NXEZZACHSA-N -1 3 385.379 3.242 20 0 GGADHM COc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000028041536 564358731 /nfs/dbraw/zinc/35/87/31/564358731.db2.gz PAYIJLADDPLDAZ-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1c(Cl)cccc1Cl ZINC000028040990 564358754 /nfs/dbraw/zinc/35/87/54/564358754.db2.gz IPFJQAPKUQXJQW-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM CC(C)CNC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028262029 564361525 /nfs/dbraw/zinc/36/15/25/564361525.db2.gz NVQLGQVEFFBBLP-UHFFFAOYSA-N -1 3 377.491 3.250 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCc2ccccc2C1 ZINC000028322757 564361708 /nfs/dbraw/zinc/36/17/08/564361708.db2.gz XJCKYOZRVGEFGT-ZDUSSCGKSA-N -1 3 382.888 3.204 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)n[n-]1 ZINC000543761025 564362881 /nfs/dbraw/zinc/36/28/81/564362881.db2.gz MDFBCZBVIUHLMR-VIFPVBQESA-N -1 3 398.282 3.468 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)[n-]n1 ZINC000543761025 564362884 /nfs/dbraw/zinc/36/28/84/564362884.db2.gz MDFBCZBVIUHLMR-VIFPVBQESA-N -1 3 398.282 3.468 20 0 GGADHM C[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(=O)NCC(F)(F)F ZINC000028633794 564363413 /nfs/dbraw/zinc/36/34/13/564363413.db2.gz SVGYXLURXLVXAC-MRVPVSSYSA-N -1 3 394.806 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000121301452 564363475 /nfs/dbraw/zinc/36/34/75/564363475.db2.gz OJYQJJUDUUPNBA-IUODEOHRSA-N -1 3 398.937 3.432 20 0 GGADHM CCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000028493506 564363699 /nfs/dbraw/zinc/36/36/99/564363699.db2.gz IQBWLKZTRWECLC-UHFFFAOYSA-N -1 3 382.869 3.424 20 0 GGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1ccc(Br)s1 ZINC000121412020 564367526 /nfs/dbraw/zinc/36/75/26/564367526.db2.gz JVBFMQLGKIJKRM-LBPRGKRZSA-N -1 3 390.324 3.303 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1OC ZINC000029335764 564369175 /nfs/dbraw/zinc/36/91/75/564369175.db2.gz FYGWBHPMWWARGH-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3C[C@@H](C)N(C4CC4)C3)s2)cs1 ZINC000121456524 564369494 /nfs/dbraw/zinc/36/94/94/564369494.db2.gz IWNCRPHQAHMPNA-PWSUYJOCSA-N -1 3 383.564 3.084 20 0 GGADHM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000029920515 564374302 /nfs/dbraw/zinc/37/43/02/564374302.db2.gz MBQXBUABTWZHEC-UHFFFAOYSA-N -1 3 392.786 3.433 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000029830764 564374548 /nfs/dbraw/zinc/37/45/48/564374548.db2.gz JXXMFKLQRNBNRF-UHFFFAOYSA-N -1 3 389.260 3.382 20 0 GGADHM CC(=O)NCc1ccc(-c2nc([N-]C(=O)c3cc(C)no3)sc2C)s1 ZINC000030156802 564376837 /nfs/dbraw/zinc/37/68/37/564376837.db2.gz WKCHPLXNRSHNLC-UHFFFAOYSA-N -1 3 376.463 3.365 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000121634769 564378940 /nfs/dbraw/zinc/37/89/40/564378940.db2.gz QCXLCVYFOLIMML-UHFFFAOYSA-N -1 3 378.881 3.024 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1ccccc1 ZINC000030322522 564379104 /nfs/dbraw/zinc/37/91/04/564379104.db2.gz IUVVCSZQBLPCNF-LBPRGKRZSA-N -1 3 378.881 3.307 20 0 GGADHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000121641574 564379834 /nfs/dbraw/zinc/37/98/34/564379834.db2.gz JAGMNBHYTMAVSX-UHFFFAOYSA-N -1 3 391.265 3.184 20 0 GGADHM O=S(=O)([N-]CC1CCC1)c1cc(Br)ccc1Br ZINC000030360232 564379898 /nfs/dbraw/zinc/37/98/98/564379898.db2.gz JVHMOSIPLZUSFB-UHFFFAOYSA-N -1 3 383.105 3.290 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1ccc(F)cc1Cl ZINC000030432112 564380500 /nfs/dbraw/zinc/38/05/00/564380500.db2.gz NEGHQYDDHKEQEO-UHFFFAOYSA-N -1 3 392.949 3.119 20 0 GGADHM O=C(Nc1cn[nH]c1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000030663508 564382977 /nfs/dbraw/zinc/38/29/77/564382977.db2.gz PXHLMWXZSWIDQJ-UHFFFAOYSA-N -1 3 376.825 3.116 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000121759711 564385542 /nfs/dbraw/zinc/38/55/42/564385542.db2.gz ZTGLFWCMRGCHNK-MRVPVSSYSA-N -1 3 395.188 3.372 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000121759711 564385546 /nfs/dbraw/zinc/38/55/46/564385546.db2.gz ZTGLFWCMRGCHNK-MRVPVSSYSA-N -1 3 395.188 3.372 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000121759711 564385550 /nfs/dbraw/zinc/38/55/50/564385550.db2.gz ZTGLFWCMRGCHNK-MRVPVSSYSA-N -1 3 395.188 3.372 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000121789501 564386501 /nfs/dbraw/zinc/38/65/01/564386501.db2.gz JEYZRWBRHHMQMU-UHFFFAOYSA-N -1 3 381.523 3.410 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000121787818 564386563 /nfs/dbraw/zinc/38/65/63/564386563.db2.gz HDZXNWSTXAJFPP-UHFFFAOYSA-N -1 3 394.305 3.285 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)cc2N1 ZINC000031793268 564392819 /nfs/dbraw/zinc/39/28/19/564392819.db2.gz YKDAJJRNTIPWRK-UHFFFAOYSA-N -1 3 385.272 3.357 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000031906272 564393263 /nfs/dbraw/zinc/39/32/63/564393263.db2.gz OEMVQKVNLKINGP-SNVBAGLBSA-N -1 3 386.832 3.257 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000121961431 564394170 /nfs/dbraw/zinc/39/41/70/564394170.db2.gz SGNCCAXPEWKMAG-HNNXBMFYSA-N -1 3 377.897 3.326 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1c[nH]cn1 ZINC000121982705 564395257 /nfs/dbraw/zinc/39/52/57/564395257.db2.gz AQAMCOXDVLDAJG-ZDUSSCGKSA-N -1 3 378.454 3.028 20 0 GGADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cccc(Br)c3)cc2N1 ZINC000032097844 564396742 /nfs/dbraw/zinc/39/67/42/564396742.db2.gz QBLJJCSMSYXKGD-UHFFFAOYSA-N -1 3 399.241 3.274 20 0 GGADHM CC(C)(C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000032381262 564397355 /nfs/dbraw/zinc/39/73/55/564397355.db2.gz YONONAPQNJKILO-OAHLLOKOSA-N -1 3 380.535 3.320 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)c1ccc(Cl)cc1 ZINC000032414026 564398522 /nfs/dbraw/zinc/39/85/22/564398522.db2.gz SMMYBUBAADTYIY-HNNXBMFYSA-N -1 3 385.844 3.370 20 0 GGADHM CC[C@H](C)[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000122109419 564400138 /nfs/dbraw/zinc/40/01/38/564400138.db2.gz NXQLRJYNFNRCIG-WDEREUQCSA-N -1 3 381.325 3.213 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1cccc(Cl)c1F ZINC000032436239 564400464 /nfs/dbraw/zinc/40/04/64/564400464.db2.gz SEJLQEBJKVJSNT-UHFFFAOYSA-N -1 3 392.949 3.119 20 0 GGADHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000032468745 564401299 /nfs/dbraw/zinc/40/12/99/564401299.db2.gz MBALWBLSJOKPKI-UHFFFAOYSA-N -1 3 379.290 3.492 20 0 GGADHM O=S(=O)([N-]CCCCSc1ccccc1Br)c1c[nH]cn1 ZINC000122197732 564403942 /nfs/dbraw/zinc/40/39/42/564403942.db2.gz KCMYYTLADAYUHX-UHFFFAOYSA-N -1 3 390.328 3.023 20 0 GGADHM CCCCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@@H](C)c1ccccc1 ZINC000122206289 564404277 /nfs/dbraw/zinc/40/42/77/564404277.db2.gz UNQXYSFOKZJVOE-HNNXBMFYSA-N -1 3 380.535 3.416 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000032689469 564404441 /nfs/dbraw/zinc/40/44/41/564404441.db2.gz DKSKBQZDANMCPL-SECBINFHSA-N -1 3 393.317 3.211 20 0 GGADHM CCc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2ccccc2Br)c1 ZINC000122338626 564410140 /nfs/dbraw/zinc/41/01/40/564410140.db2.gz JWMBFHRUEJHXDQ-UHFFFAOYSA-N -1 3 391.265 3.428 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 ZINC000033191931 564411815 /nfs/dbraw/zinc/41/18/15/564411815.db2.gz VXBSMMHURFGTTJ-ZJUUUORDSA-N -1 3 390.889 3.085 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000036099756 564416038 /nfs/dbraw/zinc/41/60/38/564416038.db2.gz ITAJJIAFIDWTDF-INIZCTEOSA-N -1 3 383.901 3.060 20 0 GGADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000036664232 564418422 /nfs/dbraw/zinc/41/84/22/564418422.db2.gz SZGQFYHLMDSHAD-OAHLLOKOSA-N -1 3 375.266 3.159 20 0 GGADHM CCOc1c(Br)cc(Br)cc1CNCCC(=O)[O-] ZINC000037252418 564420725 /nfs/dbraw/zinc/42/07/25/564420725.db2.gz WXOPEZPUKZIOQI-UHFFFAOYSA-N -1 3 381.064 3.175 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Br)C1CC1 ZINC000037575018 564421724 /nfs/dbraw/zinc/42/17/24/564421724.db2.gz DUVGERPLZKOJGS-SSDOTTSWSA-N -1 3 383.105 3.288 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000122664212 564421975 /nfs/dbraw/zinc/42/19/75/564421975.db2.gz FOSPRQNRVVKVNI-UHFFFAOYSA-N -1 3 380.853 3.379 20 0 GGADHM O=S(=O)([N-]CC1CCN(Cc2cccs2)CC1)c1c(F)cccc1F ZINC000038584839 564423073 /nfs/dbraw/zinc/42/30/73/564423073.db2.gz OSTVMUQETJNQOL-UHFFFAOYSA-N -1 3 386.489 3.217 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccc(C)cc1)N(C)C ZINC000038629439 564423266 /nfs/dbraw/zinc/42/32/66/564423266.db2.gz BAQBKJXFHGBYKA-INIZCTEOSA-N -1 3 382.913 3.238 20 0 GGADHM O=C(CCc1ccc(Cl)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000122690374 564424125 /nfs/dbraw/zinc/42/41/25/564424125.db2.gz QUCLEZWCHQMXIA-UHFFFAOYSA-N -1 3 378.881 3.024 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)s1 ZINC000040998541 564429133 /nfs/dbraw/zinc/42/91/33/564429133.db2.gz UPVWCXHHRMAYTF-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1ccc(Cl)s1 ZINC000041133193 564429318 /nfs/dbraw/zinc/42/93/18/564429318.db2.gz AXMGOKRFDGDAEV-UHFFFAOYSA-N -1 3 385.923 3.441 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 ZINC000041428455 564433731 /nfs/dbraw/zinc/43/37/31/564433731.db2.gz FXKLNZTZJVSLAV-UHFFFAOYSA-N -1 3 399.299 3.251 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCN1C1CCCCC1 ZINC000123057474 564437259 /nfs/dbraw/zinc/43/72/59/564437259.db2.gz LEIRWSVSBKINJS-CYBMUJFWSA-N -1 3 391.320 3.205 20 0 GGADHM CCOc1cc([C@@H]2NC(=O)c3ccccc3N2C)cc(Br)c1[O-] ZINC000041863786 564438261 /nfs/dbraw/zinc/43/82/61/564438261.db2.gz SCMLOTPYISYEID-MRXNPFEDSA-N -1 3 377.238 3.432 20 0 GGADHM O=C([N-]c1ccncc1F)c1cc(I)c(F)cc1F ZINC000123211938 564442214 /nfs/dbraw/zinc/44/22/14/564442214.db2.gz VNBPDLSMAUSPOK-UHFFFAOYSA-N -1 3 378.091 3.356 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000123413942 564447676 /nfs/dbraw/zinc/44/76/76/564447676.db2.gz OWDJGPSTLNHQMJ-VIFPVBQESA-N -1 3 399.881 3.500 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCCCC1 ZINC000042653001 564449166 /nfs/dbraw/zinc/44/91/66/564449166.db2.gz JPZWSWOXTRCICW-UHFFFAOYSA-N -1 3 398.834 3.040 20 0 GGADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1F ZINC000042986861 564451410 /nfs/dbraw/zinc/45/14/10/564451410.db2.gz FNXGFNMASWJAFL-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N(C)C)c1 ZINC000042985959 564451844 /nfs/dbraw/zinc/45/18/44/564451844.db2.gz HRFBEVKINVQXMK-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)s1 ZINC000042995501 564452128 /nfs/dbraw/zinc/45/21/28/564452128.db2.gz XHYGWNZLEDQUIM-UHFFFAOYSA-N -1 3 386.804 3.216 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000123715530 564459125 /nfs/dbraw/zinc/45/91/25/564459125.db2.gz YUVMIJYLEPELPE-GFCCVEGCSA-N -1 3 384.548 3.160 20 0 GGADHM O=C(Nc1ccc(Cl)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000043728387 564460841 /nfs/dbraw/zinc/46/08/41/564460841.db2.gz ITWNPCLBTQFDES-UHFFFAOYSA-N -1 3 399.925 3.376 20 0 GGADHM O=C(Nc1cccc(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000043728388 564460853 /nfs/dbraw/zinc/46/08/53/564460853.db2.gz RSCGWIQXWPMYFZ-UHFFFAOYSA-N -1 3 399.925 3.376 20 0 GGADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1F ZINC000123768426 564461479 /nfs/dbraw/zinc/46/14/79/564461479.db2.gz RPIQVDODZRBNIW-UHFFFAOYSA-N -1 3 386.470 3.005 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccc(F)cc3)c2=O)s1 ZINC000123801643 564462018 /nfs/dbraw/zinc/46/20/18/564462018.db2.gz MADVMABXRHRJTP-UHFFFAOYSA-N -1 3 378.450 3.206 20 0 GGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000123825187 564462631 /nfs/dbraw/zinc/46/26/31/564462631.db2.gz FRVHVVDFHTXWOB-JTQLQIEISA-N -1 3 384.723 3.180 20 0 GGADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000044259853 564464590 /nfs/dbraw/zinc/46/45/90/564464590.db2.gz WAHYHEMYYDEMAO-UHFFFAOYSA-N -1 3 387.230 3.347 20 0 GGADHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000044253317 564464875 /nfs/dbraw/zinc/46/48/75/564464875.db2.gz PSMONKQKHWGIMZ-UHFFFAOYSA-N -1 3 380.274 3.198 20 0 GGADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(I)cc1 ZINC000044285610 564465931 /nfs/dbraw/zinc/46/59/31/564465931.db2.gz YXQZHZNBFUIBAV-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(I)cc1 ZINC000044285563 564466038 /nfs/dbraw/zinc/46/60/38/564466038.db2.gz FSGDAZLOQPIOSJ-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)CC2CCOCC2)oc1-c1ccc(Cl)cc1 ZINC000123955861 564467365 /nfs/dbraw/zinc/46/73/65/564467365.db2.gz NFXIKOWFHYWHIR-UHFFFAOYSA-N -1 3 384.885 3.149 20 0 GGADHM Cc1nc(CN2CCN(Cc3cc([O-])ccc3Br)CC2)cs1 ZINC000123957451 564467369 /nfs/dbraw/zinc/46/73/69/564467369.db2.gz LVPKOPBOHSSTRH-UHFFFAOYSA-N -1 3 382.327 3.237 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CN1C1CC1 ZINC000124021479 564469167 /nfs/dbraw/zinc/46/91/67/564469167.db2.gz LTAWEZSGZROECK-NXEZZACHSA-N -1 3 382.835 3.262 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CN1C1CC1 ZINC000124021724 564469680 /nfs/dbraw/zinc/46/96/80/564469680.db2.gz LTAWEZSGZROECK-VHSXEESVSA-N -1 3 382.835 3.262 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000124094144 564471468 /nfs/dbraw/zinc/47/14/68/564471468.db2.gz DNDYOJAOYOQWKE-MNOVXSKESA-N -1 3 382.379 3.048 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000124093672 564471686 /nfs/dbraw/zinc/47/16/86/564471686.db2.gz DNDYOJAOYOQWKE-QWRGUYRKSA-N -1 3 382.379 3.048 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)sc1Br ZINC000124124287 564472359 /nfs/dbraw/zinc/47/23/59/564472359.db2.gz FKLFDGCLDNWZSK-CQSZACIVSA-N -1 3 390.324 3.005 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000044895002 564474709 /nfs/dbraw/zinc/47/47/09/564474709.db2.gz RAIQVQNBJIIBMQ-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CCCCCC1 ZINC000124212323 564474703 /nfs/dbraw/zinc/47/47/03/564474703.db2.gz YPROAUIRQYUEEM-UHFFFAOYSA-N -1 3 384.548 3.304 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000044895028 564474933 /nfs/dbraw/zinc/47/49/33/564474933.db2.gz FZDQXNKAGZVPMO-UHFFFAOYSA-N -1 3 397.371 3.049 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCn3nc(C(C)C)nc32)c(Cl)cc1F ZINC000124208069 564474912 /nfs/dbraw/zinc/47/49/12/564474912.db2.gz HMDMCWBHGZECRF-ZDUSSCGKSA-N -1 3 386.880 3.316 20 0 GGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 ZINC000124277372 564476943 /nfs/dbraw/zinc/47/69/43/564476943.db2.gz FJWDNIKHSYJAQZ-HNNXBMFYSA-N -1 3 379.865 3.209 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000124256150 564477137 /nfs/dbraw/zinc/47/71/37/564477137.db2.gz MFWZBZIWEGNNLP-UHFFFAOYSA-N -1 3 382.295 3.055 20 0 GGADHM C[C@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000045204612 564479531 /nfs/dbraw/zinc/47/95/31/564479531.db2.gz MZIBYRNQTDFSHE-RYUDHWBXSA-N -1 3 393.336 3.357 20 0 GGADHM Cc1cc(Br)cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000124344546 564479793 /nfs/dbraw/zinc/47/97/93/564479793.db2.gz COZINNAEHXXBIQ-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Br)s2)CC1 ZINC000045292077 564480320 /nfs/dbraw/zinc/48/03/20/564480320.db2.gz DHBYQJFFSSYDRY-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000045395271 564483226 /nfs/dbraw/zinc/48/32/26/564483226.db2.gz ZCRLWGJTVPBVIT-UHFFFAOYSA-N -1 3 386.926 3.119 20 0 GGADHM Cc1cc(N2C[C@@H](C(=O)Nc3ccccc3[O-])CC2=O)ccc1Br ZINC000045547521 564484860 /nfs/dbraw/zinc/48/48/60/564484860.db2.gz FAIXMEOTUAQVDX-LBPRGKRZSA-N -1 3 389.249 3.455 20 0 GGADHM C[C@H](Sc1ncnc2ccsc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000045605287 564485900 /nfs/dbraw/zinc/48/59/00/564485900.db2.gz JSSSCQPWCUNLRA-JTQLQIEISA-N -1 3 393.515 3.426 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000124588584 564487019 /nfs/dbraw/zinc/48/70/19/564487019.db2.gz WHZIHPYUNQQGNU-MAZHCROVSA-N -1 3 395.297 3.302 20 0 GGADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000045713103 564487980 /nfs/dbraw/zinc/48/79/80/564487980.db2.gz HLQYFHSMXXVSIZ-UHFFFAOYSA-N -1 3 375.837 3.096 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000045809790 564489821 /nfs/dbraw/zinc/48/98/21/564489821.db2.gz ADBAQEAPTWCYOG-JTQLQIEISA-N -1 3 395.369 3.153 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]CCSc2ccc(C)cc2)cc1OC ZINC000045798187 564489955 /nfs/dbraw/zinc/48/99/55/564489955.db2.gz ULISZWKSSORFLO-UHFFFAOYSA-N -1 3 385.482 3.222 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(C(F)(F)F)cc1 ZINC000045973143 564492737 /nfs/dbraw/zinc/49/27/37/564492737.db2.gz YCULIENWKTWYMQ-UHFFFAOYSA-N -1 3 378.397 3.074 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@]3(C)CCCC[C@@H]3O)s2)cs1 ZINC000124794779 564493361 /nfs/dbraw/zinc/49/33/61/564493361.db2.gz SPWVGEZMZFSYNR-GOEBONIOSA-N -1 3 386.564 3.400 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@]3(C)CCCC[C@H]3O)s2)cs1 ZINC000124795031 564493609 /nfs/dbraw/zinc/49/36/09/564493609.db2.gz SPWVGEZMZFSYNR-ZBFHGGJFSA-N -1 3 386.564 3.400 20 0 GGADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1 ZINC000124820332 564493960 /nfs/dbraw/zinc/49/39/60/564493960.db2.gz GDOQQSUAEXFUPY-GFCCVEGCSA-N -1 3 379.254 3.421 20 0 GGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1 ZINC000124820086 564494217 /nfs/dbraw/zinc/49/42/17/564494217.db2.gz GDOQQSUAEXFUPY-LBPRGKRZSA-N -1 3 379.254 3.421 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1noc2c1CCCC2 ZINC000516238577 564498028 /nfs/dbraw/zinc/49/80/28/564498028.db2.gz FGQQEQARVGFEQG-UHFFFAOYSA-N -1 3 388.225 3.353 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)NC(=O)[N-]C1=O ZINC000046409100 564502602 /nfs/dbraw/zinc/50/26/02/564502602.db2.gz GHDPXJICEBVFPB-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000046469234 564502992 /nfs/dbraw/zinc/50/29/92/564502992.db2.gz DNBVMPGDPCVFSY-UHFFFAOYSA-N -1 3 387.288 3.325 20 0 GGADHM O=C(NC[C@H]1CC=CCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000125138516 564504854 /nfs/dbraw/zinc/50/48/54/564504854.db2.gz YXTJKWKALLOADT-ZDUSSCGKSA-N -1 3 396.559 3.374 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000125136486 564505020 /nfs/dbraw/zinc/50/50/20/564505020.db2.gz PWSMNWRKPGLHBI-NSHDSACASA-N -1 3 382.507 3.057 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)oc1C ZINC000046803265 564508023 /nfs/dbraw/zinc/50/80/23/564508023.db2.gz VSUAZZKYZPMKIG-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CCc2sccc2C1 ZINC000046801979 564508228 /nfs/dbraw/zinc/50/82/28/564508228.db2.gz SWYWOKXEGPKPNP-NSHDSACASA-N -1 3 388.917 3.266 20 0 GGADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000125241261 564508484 /nfs/dbraw/zinc/50/84/84/564508484.db2.gz YGDCCOPJMNGZRS-LBPRGKRZSA-N -1 3 390.324 3.139 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000047031670 564512072 /nfs/dbraw/zinc/51/20/72/564512072.db2.gz HYAUAFOCJBCIRW-LBPRGKRZSA-N -1 3 378.441 3.348 20 0 GGADHM Cc1cc(Cl)cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000125393508 564512811 /nfs/dbraw/zinc/51/28/11/564512811.db2.gz HVSBPLFRMAXYAU-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM C[C@@]1(c2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000047167218 564514469 /nfs/dbraw/zinc/51/44/69/564514469.db2.gz FEHVWLVVYBXRMJ-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1Cl ZINC000047211394 564515007 /nfs/dbraw/zinc/51/50/07/564515007.db2.gz BRGBCIREDNBZDY-UHFFFAOYSA-N -1 3 377.853 3.394 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2cc(Br)ccc2[nH]1 ZINC000047343010 564518719 /nfs/dbraw/zinc/51/87/19/564518719.db2.gz ZGOWRKMUPADNFH-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2cc(Br)ccc2[nH]1 ZINC000047343010 564518723 /nfs/dbraw/zinc/51/87/23/564518723.db2.gz ZGOWRKMUPADNFH-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2cc(Br)ccc2[nH]1 ZINC000047343010 564518727 /nfs/dbraw/zinc/51/87/27/564518727.db2.gz ZGOWRKMUPADNFH-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343230 564518940 /nfs/dbraw/zinc/51/89/40/564518940.db2.gz GIWUNPYWMDNVSV-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343230 564518943 /nfs/dbraw/zinc/51/89/43/564518943.db2.gz GIWUNPYWMDNVSV-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343230 564518948 /nfs/dbraw/zinc/51/89/48/564518948.db2.gz GIWUNPYWMDNVSV-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552648 564522359 /nfs/dbraw/zinc/52/23/59/564522359.db2.gz FPZGHFPXIYRTPU-LBPRGKRZSA-N -1 3 378.881 3.072 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cnns1 ZINC000047608463 564523673 /nfs/dbraw/zinc/52/36/73/564523673.db2.gz GLHLZCXDGNHYDD-UHFFFAOYSA-N -1 3 394.865 3.245 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2csc(COc3ccc(F)cc3)n2)[n-]1 ZINC000125718350 564524746 /nfs/dbraw/zinc/52/47/46/564524746.db2.gz QPAFLMCJCXAZFP-UHFFFAOYSA-N -1 3 381.454 3.121 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2csc(COc3ccc(F)cc3)n2)n1 ZINC000125718350 564524747 /nfs/dbraw/zinc/52/47/47/564524747.db2.gz QPAFLMCJCXAZFP-UHFFFAOYSA-N -1 3 381.454 3.121 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2cc(Br)ccc2OC(F)F)[n-]1 ZINC000125821002 564527701 /nfs/dbraw/zinc/52/77/01/564527701.db2.gz ZUWIKWYJSGFBID-UHFFFAOYSA-N -1 3 395.225 3.310 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2cc(Br)ccc2OC(F)F)n1 ZINC000125821002 564527704 /nfs/dbraw/zinc/52/77/04/564527704.db2.gz ZUWIKWYJSGFBID-UHFFFAOYSA-N -1 3 395.225 3.310 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000047910804 564527923 /nfs/dbraw/zinc/52/79/23/564527923.db2.gz LHHBVYKMNATKEU-VXGBXAGGSA-N -1 3 378.475 3.039 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C ZINC000125857789 564528904 /nfs/dbraw/zinc/52/89/04/564528904.db2.gz ACDOEASQOXALIL-MRVPVSSYSA-N -1 3 398.706 3.111 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000125846470 564529070 /nfs/dbraw/zinc/52/90/70/564529070.db2.gz KOALIQOWQKFXJP-UHFFFAOYSA-N -1 3 375.418 3.027 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000125883302 564530358 /nfs/dbraw/zinc/53/03/58/564530358.db2.gz KTTBVRHFQUACEG-LLVKDONJSA-N -1 3 398.344 3.155 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000125921608 564530833 /nfs/dbraw/zinc/53/08/33/564530833.db2.gz JIGLCRQUCKQGQW-ZDUSSCGKSA-N -1 3 393.814 3.241 20 0 GGADHM CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000125992275 564533180 /nfs/dbraw/zinc/53/31/80/564533180.db2.gz LIMPIITXBDCQGH-UHFFFAOYSA-N -1 3 384.251 3.201 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1ccc(Br)cc1Cl ZINC000048263079 564534486 /nfs/dbraw/zinc/53/44/86/564534486.db2.gz DAVZQIGAFZFHAJ-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(Br)cc1[O-])CO2 ZINC000126034821 564534667 /nfs/dbraw/zinc/53/46/67/564534667.db2.gz NQYMAAFVJQKHGV-NSHDSACASA-N -1 3 378.222 3.353 20 0 GGADHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])CO2 ZINC000126035070 564535200 /nfs/dbraw/zinc/53/52/00/564535200.db2.gz NQYMAAFVJQKHGV-LLVKDONJSA-N -1 3 378.222 3.353 20 0 GGADHM CN(CCN(C)c1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126197963 564539893 /nfs/dbraw/zinc/53/98/93/564539893.db2.gz ZUOLHGZVBXKASN-UHFFFAOYSA-N -1 3 392.297 3.433 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)s1 ZINC000048445324 564540259 /nfs/dbraw/zinc/54/02/59/564540259.db2.gz CUXXDHWHXPXVRX-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000048444481 564540370 /nfs/dbraw/zinc/54/03/70/564540370.db2.gz IOKBWCKIQARYRS-UHFFFAOYSA-N -1 3 392.296 3.006 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000126228860 564542007 /nfs/dbraw/zinc/54/20/07/564542007.db2.gz NPDWRBVAPLFFDC-NSHDSACASA-N -1 3 386.253 3.447 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000126228860 564542011 /nfs/dbraw/zinc/54/20/11/564542011.db2.gz NPDWRBVAPLFFDC-NSHDSACASA-N -1 3 386.253 3.447 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000126228860 564542013 /nfs/dbraw/zinc/54/20/13/564542013.db2.gz NPDWRBVAPLFFDC-NSHDSACASA-N -1 3 386.253 3.447 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)s1 ZINC000126296733 564543983 /nfs/dbraw/zinc/54/39/83/564543983.db2.gz MUAYEKDUGJFIMQ-SECBINFHSA-N -1 3 392.955 3.181 20 0 GGADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000126382547 564547589 /nfs/dbraw/zinc/54/75/89/564547589.db2.gz OVUIXIGWRRNVKQ-LLVKDONJSA-N -1 3 386.882 3.304 20 0 GGADHM CCCCN1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000049061146 564548208 /nfs/dbraw/zinc/54/82/08/564548208.db2.gz SBELUTYZSZGYEM-UHFFFAOYSA-N -1 3 381.361 3.053 20 0 GGADHM CCC(CC)[C@@H](C[N-]S(=O)(=O)c1sccc1Br)N(C)C ZINC000049061221 564548582 /nfs/dbraw/zinc/54/85/82/564548582.db2.gz LEJMQRPKUJEHLY-GFCCVEGCSA-N -1 3 383.377 3.155 20 0 GGADHM O=C(CCN1C(=O)CCc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000126450670 564549479 /nfs/dbraw/zinc/54/94/79/564549479.db2.gz FRUDWJYYFLUXKV-UHFFFAOYSA-N -1 3 389.249 3.463 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000126443120 564549659 /nfs/dbraw/zinc/54/96/59/564549659.db2.gz AJSRZGSSZIPJAK-UHFFFAOYSA-N -1 3 395.228 3.383 20 0 GGADHM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126477275 564550210 /nfs/dbraw/zinc/55/02/10/564550210.db2.gz FCXHHWUQGCPNOE-GFCCVEGCSA-N -1 3 387.299 3.185 20 0 GGADHM CCOc1c(Br)cc(Br)cc1CN[C@H](C)C(=O)[O-] ZINC000049357104 564550341 /nfs/dbraw/zinc/55/03/41/564550341.db2.gz JJOOKHSEJYIMEF-SSDOTTSWSA-N -1 3 381.064 3.173 20 0 GGADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000049239445 564550571 /nfs/dbraw/zinc/55/05/71/564550571.db2.gz YYQHGLWVEPXTBN-SFYZADRCSA-N -1 3 383.105 3.146 20 0 GGADHM CCN(C)C(=O)c1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126655476 564556957 /nfs/dbraw/zinc/55/69/57/564556957.db2.gz DBNYVFXFPVSGSE-UHFFFAOYSA-N -1 3 377.238 3.499 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000050183696 564557263 /nfs/dbraw/zinc/55/72/63/564557263.db2.gz AVLLXGLXXWMBJL-UHFFFAOYSA-N -1 3 392.706 3.045 20 0 GGADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1S(C)(=O)=O ZINC000126694174 564558331 /nfs/dbraw/zinc/55/83/31/564558331.db2.gz BTQYJCVQNPXPRU-UHFFFAOYSA-N -1 3 384.251 3.119 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cn(Cc2cccs2)nn1 ZINC000126714908 564558885 /nfs/dbraw/zinc/55/88/85/564558885.db2.gz GIEQRLKLGUVLIO-UHFFFAOYSA-N -1 3 379.239 3.108 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(C)c1 ZINC000050530378 564559017 /nfs/dbraw/zinc/55/90/17/564559017.db2.gz MOQTUWDZEOGCFE-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1C ZINC000126847001 564564583 /nfs/dbraw/zinc/56/45/83/564564583.db2.gz ZAUDCTIVUJXSQW-UHFFFAOYSA-N -1 3 385.482 3.264 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1ccc(Br)s1 ZINC000051630385 564566062 /nfs/dbraw/zinc/56/60/62/564566062.db2.gz FXTXOQNDGUCECA-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCCC(C)C)cc1F ZINC000126882844 564566506 /nfs/dbraw/zinc/56/65/06/564566506.db2.gz QFDUCUSOJXSOCR-CYBMUJFWSA-N -1 3 394.534 3.080 20 0 GGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)C)cc1 ZINC000052025238 564568109 /nfs/dbraw/zinc/56/81/09/564568109.db2.gz MMWVNDCCWICZGN-UHFFFAOYSA-N -1 3 385.482 3.258 20 0 GGADHM COc1ccccc1-c1nc([N-]C(=O)c2oc(Br)cc2C)n[nH]1 ZINC000052779191 564576158 /nfs/dbraw/zinc/57/61/58/564576158.db2.gz HDBLSLYJTZPWRV-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM Cn1ncc2c1nc(CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)[n-]c2=O ZINC000052833640 564577188 /nfs/dbraw/zinc/57/71/88/564577188.db2.gz NALDVWIKSRSOEU-UHFFFAOYSA-N -1 3 378.263 3.128 20 0 GGADHM CCOc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000127247660 564577750 /nfs/dbraw/zinc/57/77/50/564577750.db2.gz NLJMFWAVIDOINT-UHFFFAOYSA-N -1 3 386.267 3.032 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1Cl ZINC000127274558 564579154 /nfs/dbraw/zinc/57/91/54/564579154.db2.gz SAIWNBFKVCUPIS-UHFFFAOYSA-N -1 3 394.649 3.426 20 0 GGADHM CC(C)CC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000127288792 564579385 /nfs/dbraw/zinc/57/93/85/564579385.db2.gz ZOFRCLMOIRBNDY-UHFFFAOYSA-N -1 3 378.947 3.012 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)o1 ZINC000127369628 564582046 /nfs/dbraw/zinc/58/20/46/564582046.db2.gz GVLGPAYSLPNQHZ-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM CCSc1cc(Cl)ccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000127476916 564585208 /nfs/dbraw/zinc/58/52/08/564585208.db2.gz KBBJVVPHRHHQHQ-UHFFFAOYSA-N -1 3 378.881 3.317 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)NCc3ccc(Cl)s3)nc2n1 ZINC000127582719 564588815 /nfs/dbraw/zinc/58/88/15/564588815.db2.gz BUYLWPMVLAQCGE-UHFFFAOYSA-N -1 3 394.909 3.471 20 0 GGADHM CCN1CCN(CCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)CC1 ZINC000127641370 564590737 /nfs/dbraw/zinc/59/07/37/564590737.db2.gz MMHIBPGKJGJYGR-UHFFFAOYSA-N -1 3 380.703 3.319 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1ccccc1C(F)(F)F ZINC000053685931 564593181 /nfs/dbraw/zinc/59/31/81/564593181.db2.gz NXTJUGAFCUXMGU-UHFFFAOYSA-N -1 3 390.452 3.104 20 0 GGADHM O=C(CSCC(=O)Nc1ccccc1[O-])Nc1cccc(Br)c1 ZINC000053791332 564595301 /nfs/dbraw/zinc/59/53/01/564595301.db2.gz IFXOIIRVBACQSY-UHFFFAOYSA-N -1 3 395.278 3.465 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1CO ZINC000054040974 564597565 /nfs/dbraw/zinc/59/75/65/564597565.db2.gz FEQAFYCIIRJYCZ-UHFFFAOYSA-N -1 3 375.368 3.397 20 0 GGADHM O=S(=O)([N-]CCNCc1ccccc1OC(F)F)c1ccc(Cl)s1 ZINC000127821627 564597726 /nfs/dbraw/zinc/59/77/26/564597726.db2.gz NDRQGDMXQVNXOZ-UHFFFAOYSA-N -1 3 396.868 3.071 20 0 GGADHM CSc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000054146372 564599514 /nfs/dbraw/zinc/59/95/14/564599514.db2.gz ZYHFZVCQMQHYBQ-UHFFFAOYSA-N -1 3 382.576 3.413 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1Cl ZINC000054293599 564602143 /nfs/dbraw/zinc/60/21/43/564602143.db2.gz ZKGJNGNOZYVZRT-UHFFFAOYSA-N -1 3 381.816 3.474 20 0 GGADHM CC(C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000127972392 564602683 /nfs/dbraw/zinc/60/26/83/564602683.db2.gz NQQFDRQNYDENLU-JTQLQIEISA-N -1 3 388.287 3.136 20 0 GGADHM O=C(Nc1ccccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000054372885 564604212 /nfs/dbraw/zinc/60/42/12/564604212.db2.gz UQLMVAADHDREPP-UHFFFAOYSA-N -1 3 399.925 3.376 20 0 GGADHM CC(=O)c1c(F)cccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000054371172 564604289 /nfs/dbraw/zinc/60/42/89/564604289.db2.gz ZRPHBSXACAQUNX-UHFFFAOYSA-N -1 3 382.482 3.037 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(C)cs1 ZINC000054516460 564606144 /nfs/dbraw/zinc/60/61/44/564606144.db2.gz MUHYPCGJIPMUSX-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCOc1ccc(Cl)cc1 ZINC000055101182 564614582 /nfs/dbraw/zinc/61/45/82/564614582.db2.gz BEYMGIQEFFCABG-UHFFFAOYSA-N -1 3 377.853 3.066 20 0 GGADHM CCCCC[C@@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000055068591 564614607 /nfs/dbraw/zinc/61/46/07/564614607.db2.gz BASLCUWRNWCARY-CQSZACIVSA-N -1 3 387.571 3.169 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000055208751 564616165 /nfs/dbraw/zinc/61/61/65/564616165.db2.gz OYNRKNBAQKCYLB-UHFFFAOYSA-N -1 3 379.488 3.495 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000128437342 564618538 /nfs/dbraw/zinc/61/85/38/564618538.db2.gz MPHQNNMBFVLUQZ-UHFFFAOYSA-N -1 3 377.169 3.388 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(F)cc2Br)c1 ZINC000055342613 564619769 /nfs/dbraw/zinc/61/97/69/564619769.db2.gz YENGJJORWVMJEK-UHFFFAOYSA-N -1 3 381.201 3.182 20 0 GGADHM COC(=O)c1ncsc1S(=O)(=O)[N-]c1c(Cl)cc(F)cc1Cl ZINC000128598488 564622777 /nfs/dbraw/zinc/62/27/77/564622777.db2.gz GMSRTEYMHICNDH-UHFFFAOYSA-N -1 3 385.225 3.176 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCC(C)(C)c2ccccc2)s1 ZINC000128577245 564622824 /nfs/dbraw/zinc/62/28/24/564622824.db2.gz UQZAPEPEVBHBFI-UHFFFAOYSA-N -1 3 380.535 3.030 20 0 GGADHM CC[C@@H](C)Oc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000055641365 564627229 /nfs/dbraw/zinc/62/72/29/564627229.db2.gz GFQGFINICSFOMY-CYBMUJFWSA-N -1 3 382.507 3.233 20 0 GGADHM O=S(=O)([N-]CCNc1cc(C(F)(F)F)ccn1)c1ccc(Cl)s1 ZINC000128720332 564627253 /nfs/dbraw/zinc/62/72/53/564627253.db2.gz ICRFXDGNFIECSO-UHFFFAOYSA-N -1 3 385.820 3.206 20 0 GGADHM O=S(=O)([N-]CCNc1cccc(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000128735507 564628259 /nfs/dbraw/zinc/62/82/59/564628259.db2.gz FCMAWECQMCSBOI-UHFFFAOYSA-N -1 3 385.820 3.206 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000128780473 564629307 /nfs/dbraw/zinc/62/93/07/564629307.db2.gz QRRDSMZJRKWJDI-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM CCc1nn(C)c(CC)c1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000128763545 564629462 /nfs/dbraw/zinc/62/94/62/564629462.db2.gz YQLLIMLRJSUNRY-UHFFFAOYSA-N -1 3 395.301 3.012 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)c1 ZINC000055676692 564629794 /nfs/dbraw/zinc/62/97/94/564629794.db2.gz NGJYQXWGMVMWLV-UHFFFAOYSA-N -1 3 384.841 3.116 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000128965688 564634952 /nfs/dbraw/zinc/63/49/52/564634952.db2.gz IKEJQMNLFJWVMD-BETUJISGSA-N -1 3 395.352 3.161 20 0 GGADHM C[C@H]1CN(CCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000128963853 564635115 /nfs/dbraw/zinc/63/51/15/564635115.db2.gz GFOZDZMBLDINAB-STQMWFEESA-N -1 3 395.352 3.161 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000128964084 564635190 /nfs/dbraw/zinc/63/51/90/564635190.db2.gz GFOZDZMBLDINAB-CHWSQXEVSA-N -1 3 395.352 3.161 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000128963606 564635256 /nfs/dbraw/zinc/63/52/56/564635256.db2.gz GFOZDZMBLDINAB-BETUJISGSA-N -1 3 395.352 3.161 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC000129018397 564635710 /nfs/dbraw/zinc/63/57/10/564635710.db2.gz GCJKBNUNAJTTOQ-AWEZNQCLSA-N -1 3 395.228 3.500 20 0 GGADHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000056062178 564638651 /nfs/dbraw/zinc/63/86/51/564638651.db2.gz XKZVCUFCFPZPRM-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)s1 ZINC000056051220 564638691 /nfs/dbraw/zinc/63/86/91/564638691.db2.gz HAOUVIYZLKDYMO-QGZVFWFLSA-N -1 3 380.535 3.450 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000129146819 564639982 /nfs/dbraw/zinc/63/99/82/564639982.db2.gz ZWVHDAOHPHNEOR-UHFFFAOYSA-N -1 3 399.259 3.112 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1OC ZINC000056118780 564642312 /nfs/dbraw/zinc/64/23/12/564642312.db2.gz QGAIKJWADPGUQF-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Br)cc1Cl ZINC000129233055 564642483 /nfs/dbraw/zinc/64/24/83/564642483.db2.gz DFSSJNRWVAAHHF-RTXFEEFZSA-N -1 3 394.718 3.338 20 0 GGADHM CCCCOc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000056145900 564642894 /nfs/dbraw/zinc/64/28/94/564642894.db2.gz RSYQRKFTIUJJCH-CYBMUJFWSA-N -1 3 382.507 3.233 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NC1CCCCC1 ZINC000056137330 564643010 /nfs/dbraw/zinc/64/30/10/564643010.db2.gz XTGZTBOEDQZQEW-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000056378959 564646967 /nfs/dbraw/zinc/64/69/67/564646967.db2.gz OWZGCGYSQOTRCZ-UHFFFAOYSA-N -1 3 398.937 3.266 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1Cl ZINC000056409767 564648465 /nfs/dbraw/zinc/64/84/65/564648465.db2.gz OESNQVHSUSIBKA-LBPRGKRZSA-N -1 3 382.869 3.426 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000056498059 564649682 /nfs/dbraw/zinc/64/96/82/564649682.db2.gz GFULFHLZHSQWLH-AWEZNQCLSA-N -1 3 389.807 3.201 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000056498117 564649716 /nfs/dbraw/zinc/64/97/16/564649716.db2.gz JYHSBYTYMTVKRB-ZDUSSCGKSA-N -1 3 389.807 3.201 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000056497972 564649885 /nfs/dbraw/zinc/64/98/85/564649885.db2.gz XOHFDSHHWXWXOI-NSHDSACASA-N -1 3 377.846 3.123 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000129515873 564651098 /nfs/dbraw/zinc/65/10/98/564651098.db2.gz ZVMICFJVZKNWOR-GFCCVEGCSA-N -1 3 393.212 3.285 20 0 GGADHM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C1CCC1 ZINC000129652866 564655301 /nfs/dbraw/zinc/65/53/01/564655301.db2.gz BUJCEFCSLHMIDT-NSHDSACASA-N -1 3 384.548 3.207 20 0 GGADHM CCSCc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000129665606 564656008 /nfs/dbraw/zinc/65/60/08/564656008.db2.gz WQNGXVSMZBIEJH-GFCCVEGCSA-N -1 3 384.548 3.307 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)s1 ZINC000057019635 564656959 /nfs/dbraw/zinc/65/69/59/564656959.db2.gz NQMSVDQEKKBNJC-BONVTDFDSA-N -1 3 382.482 3.050 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000129684224 564657361 /nfs/dbraw/zinc/65/73/61/564657361.db2.gz GMUGXTDMHCRBJS-UHFFFAOYSA-N -1 3 384.454 3.020 20 0 GGADHM O=C([N-]c1cccc(O)c1F)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000129684224 564657365 /nfs/dbraw/zinc/65/73/65/564657365.db2.gz GMUGXTDMHCRBJS-UHFFFAOYSA-N -1 3 384.454 3.020 20 0 GGADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)c(I)c1 ZINC000129771480 564659946 /nfs/dbraw/zinc/65/99/46/564659946.db2.gz XEFJJLJOMQGPQY-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(F)cc1Cl ZINC000057101863 564659902 /nfs/dbraw/zinc/65/99/02/564659902.db2.gz AFYREJQKUVNENM-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM COc1cc(Br)c([N-]S(=O)(=O)c2ccccc2F)cc1OC ZINC000057121638 564660743 /nfs/dbraw/zinc/66/07/43/564660743.db2.gz MHBLZJYDPNZREW-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM CC[C@H]1CCc2nc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000057178827 564662432 /nfs/dbraw/zinc/66/24/32/564662432.db2.gz HDAPLCSBGGDNIN-NSHDSACASA-N -1 3 399.563 3.027 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000129836550 564663439 /nfs/dbraw/zinc/66/34/39/564663439.db2.gz KZQHURAZHLLQKN-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000129836550 564663442 /nfs/dbraw/zinc/66/34/42/564663442.db2.gz KZQHURAZHLLQKN-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000129836550 564663446 /nfs/dbraw/zinc/66/34/46/564663446.db2.gz KZQHURAZHLLQKN-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000129912704 564664932 /nfs/dbraw/zinc/66/49/32/564664932.db2.gz PFUZVWRFGKPUMK-UHFFFAOYSA-N -1 3 399.310 3.190 20 0 GGADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000129993366 564666871 /nfs/dbraw/zinc/66/68/71/564666871.db2.gz XBVHBQZLAUKUDD-UHFFFAOYSA-N -1 3 379.848 3.470 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000057425298 564667985 /nfs/dbraw/zinc/66/79/85/564667985.db2.gz YTZQUNZKMOLBMY-CQSZACIVSA-N -1 3 387.332 3.445 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(-n2ccnn2)c1 ZINC000130171993 564672725 /nfs/dbraw/zinc/67/27/25/564672725.db2.gz BVZAUYONJVXHCT-UHFFFAOYSA-N -1 3 388.225 3.057 20 0 GGADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000130235235 564674574 /nfs/dbraw/zinc/67/45/74/564674574.db2.gz BTKFCRFGJGBJBY-UHFFFAOYSA-N -1 3 379.848 3.470 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCCC[C@@H]1C ZINC000058164132 564680550 /nfs/dbraw/zinc/68/05/50/564680550.db2.gz WIKJGGNKXMTIHN-QWRGUYRKSA-N -1 3 379.309 3.061 20 0 GGADHM Cc1ccc(C(N)=O)cc1NC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000058283705 564681259 /nfs/dbraw/zinc/68/12/59/564681259.db2.gz URRUGYGEOBTQJU-UHFFFAOYSA-N -1 3 399.248 3.499 20 0 GGADHM Cc1ccc(C(N)=O)cc1NC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000058283705 564681264 /nfs/dbraw/zinc/68/12/64/564681264.db2.gz URRUGYGEOBTQJU-UHFFFAOYSA-N -1 3 399.248 3.499 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1C ZINC000058496421 564683953 /nfs/dbraw/zinc/68/39/53/564683953.db2.gz WYPOUUACTBPLBZ-UHFFFAOYSA-N -1 3 381.519 3.266 20 0 GGADHM CC(C)COc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000058516034 564685179 /nfs/dbraw/zinc/68/51/79/564685179.db2.gz HTKOULGNRRUKFC-ZDUSSCGKSA-N -1 3 382.507 3.088 20 0 GGADHM O=S(=O)([N-]CCCN1CCc2ccccc2C1)c1ccc(F)cc1Cl ZINC000058733641 564687687 /nfs/dbraw/zinc/68/76/87/564687687.db2.gz OEFKVJJVIINJDU-UHFFFAOYSA-N -1 3 382.888 3.206 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCCC2)no1 ZINC000058776795 564689356 /nfs/dbraw/zinc/68/93/56/564689356.db2.gz XNFIISNJQYHQNH-UHFFFAOYSA-N -1 3 376.265 3.433 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(F)cc(F)cc2Br)c1 ZINC000130737307 564690615 /nfs/dbraw/zinc/69/06/15/564690615.db2.gz SRHLTRZBHPEBBN-UHFFFAOYSA-N -1 3 394.241 3.381 20 0 GGADHM O=C(Nc1cc[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000060063356 564694440 /nfs/dbraw/zinc/69/44/40/564694440.db2.gz QTRBDHIPTMXKGD-UHFFFAOYSA-N -1 3 376.825 3.116 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccccc1Cl ZINC000130862767 564694783 /nfs/dbraw/zinc/69/47/83/564694783.db2.gz OGTCSTVJKBFUMC-HNNXBMFYSA-N -1 3 398.937 3.434 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000060093465 564695059 /nfs/dbraw/zinc/69/50/59/564695059.db2.gz CVKRNEKZQMMMPV-LLVKDONJSA-N -1 3 382.869 3.375 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c(=O)[n-]1 ZINC000130917530 564695549 /nfs/dbraw/zinc/69/55/49/564695549.db2.gz NHFIEPYPPZPCJN-MRXNPFEDSA-N -1 3 390.281 3.055 20 0 GGADHM Cc1nc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c(=O)[n-]1 ZINC000130985626 564697428 /nfs/dbraw/zinc/69/74/28/564697428.db2.gz SCMJNRJGMGVBQG-UHFFFAOYSA-N -1 3 380.275 3.427 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000130969476 564697755 /nfs/dbraw/zinc/69/77/55/564697755.db2.gz SNHCRLDDOVPNTC-QGZVFWFLSA-N -1 3 392.249 3.377 20 0 GGADHM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000131122672 564701470 /nfs/dbraw/zinc/70/14/70/564701470.db2.gz IIRIFWCYZOELKH-UHFFFAOYSA-N -1 3 379.894 3.478 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cc(F)ccc1Cl ZINC000131128024 564701515 /nfs/dbraw/zinc/70/15/15/564701515.db2.gz HJLHKIVYYLUIQF-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cc(-c2cccs2)nn1CCO ZINC000131146072 564702671 /nfs/dbraw/zinc/70/26/71/564702671.db2.gz QUNCJIUJKQYJCR-UHFFFAOYSA-N -1 3 377.853 3.144 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1Br)c1cc(F)cc(F)c1 ZINC000060922557 564703153 /nfs/dbraw/zinc/70/31/53/564703153.db2.gz LFXQHFAZFYMDFA-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM CCOC(=O)c1c([N-]C(=O)c2snnc2CC)sc2c1CCSC2 ZINC000061056246 564704221 /nfs/dbraw/zinc/70/42/21/564704221.db2.gz PYQSZLYVCWAKLH-UHFFFAOYSA-N -1 3 383.520 3.380 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1csc(-c2cccs2)n1 ZINC000061413535 564705728 /nfs/dbraw/zinc/70/57/28/564705728.db2.gz YQXNEKYMVAVTBP-UHFFFAOYSA-N -1 3 379.488 3.342 20 0 GGADHM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1ccncn1 ZINC000488334833 564710431 /nfs/dbraw/zinc/71/04/31/564710431.db2.gz FMEXRIGQFXJBHR-UHFFFAOYSA-N -1 3 380.202 3.149 20 0 GGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000131435408 564712303 /nfs/dbraw/zinc/71/23/03/564712303.db2.gz JUMHZXRVCUKJBF-GFCCVEGCSA-N -1 3 398.301 3.171 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1ccc(Br)cc1Cl ZINC000063001154 564713335 /nfs/dbraw/zinc/71/33/35/564713335.db2.gz ZYCYIIQPIMLTCE-ZDUSSCGKSA-N -1 3 390.686 3.114 20 0 GGADHM Cc1ccc(NC(=O)CN(C)Cc2nc3ccsc3c(=O)[n-]2)c(Cl)c1 ZINC000131526394 564714357 /nfs/dbraw/zinc/71/43/57/564714357.db2.gz ZOMZTEQOXJFWLS-UHFFFAOYSA-N -1 3 376.869 3.017 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000063200746 564715294 /nfs/dbraw/zinc/71/52/94/564715294.db2.gz AWCUGCMZAQMEOJ-SECBINFHSA-N -1 3 378.372 3.272 20 0 GGADHM O=S(=O)([N-]C1CCN(CC2CCCC2)CC1)c1ccc(F)c(F)c1F ZINC000063311327 564716887 /nfs/dbraw/zinc/71/68/87/564716887.db2.gz FXJQUMSJIFTCBY-UHFFFAOYSA-N -1 3 376.444 3.037 20 0 GGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1nc(-c2ccc(Br)cc2)n[n-]1 ZINC000063497591 564717642 /nfs/dbraw/zinc/71/76/42/564717642.db2.gz QVKXSMXVQXODBM-UHFFFAOYSA-N -1 3 397.276 3.326 20 0 GGADHM O=C(CCC(=O)c1ccccc1)Nc1nc(-c2ccc(Br)cc2)n[n-]1 ZINC000063497380 564717663 /nfs/dbraw/zinc/71/76/63/564717663.db2.gz MPLLZLSLMPSLNO-UHFFFAOYSA-N -1 3 399.248 3.258 20 0 GGADHM COc1cc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1Cl ZINC000131642595 564719293 /nfs/dbraw/zinc/71/92/93/564719293.db2.gz UYXCBGVLKHTYAM-UHFFFAOYSA-N -1 3 382.869 3.291 20 0 GGADHM CCCCCN(C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(C)C ZINC000063656033 564720614 /nfs/dbraw/zinc/72/06/14/564720614.db2.gz ILDCMCQLGOOLIA-UHFFFAOYSA-N -1 3 376.469 3.060 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000131729282 564722374 /nfs/dbraw/zinc/72/23/74/564722374.db2.gz XGNHBMGFBYWMJN-ZDUSSCGKSA-N -1 3 384.288 3.457 20 0 GGADHM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000064381334 564728816 /nfs/dbraw/zinc/72/88/16/564728816.db2.gz MJWKIMZKTWZWMT-UHFFFAOYSA-N -1 3 382.507 3.256 20 0 GGADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000064479244 564730421 /nfs/dbraw/zinc/73/04/21/564730421.db2.gz SSZOPIIZUBXZHE-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064479307 564730608 /nfs/dbraw/zinc/73/06/08/564730608.db2.gz VBWXDVRBTLFXCQ-UHFFFAOYSA-N -1 3 381.475 3.151 20 0 GGADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000064479230 564730934 /nfs/dbraw/zinc/73/09/34/564730934.db2.gz ATMJQTDKIJBWGX-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM CSc1ccc(Cl)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000064562743 564732072 /nfs/dbraw/zinc/73/20/72/564732072.db2.gz UJOBABYDMUKHMU-UHFFFAOYSA-N -1 3 379.869 3.319 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000064599423 564732989 /nfs/dbraw/zinc/73/29/89/564732989.db2.gz ZSMSCJWCFCSKJA-HNNXBMFYSA-N -1 3 382.526 3.386 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1csc(-c2ccccc2F)n1 ZINC000064784858 564734688 /nfs/dbraw/zinc/73/46/88/564734688.db2.gz NPZHOUDLRSYLFA-UHFFFAOYSA-N -1 3 378.410 3.230 20 0 GGADHM CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](C)c1ccc(F)cc1 ZINC000064859858 564735943 /nfs/dbraw/zinc/73/59/43/564735943.db2.gz JEUBPBVJNITRBN-QWHCGFSZSA-N -1 3 384.498 3.164 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000132182028 564736448 /nfs/dbraw/zinc/73/64/48/564736448.db2.gz JQZFGTNAAKJPAB-LBPRGKRZSA-N -1 3 382.507 3.231 20 0 GGADHM CCCc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132313818 564739229 /nfs/dbraw/zinc/73/92/29/564739229.db2.gz PGVKWSFIMSSNFC-UHFFFAOYSA-N -1 3 391.265 3.362 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000132314625 564739368 /nfs/dbraw/zinc/73/93/68/564739368.db2.gz MTCSLUKLNDZCIU-UHFFFAOYSA-N -1 3 397.656 3.371 20 0 GGADHM Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000132319865 564740799 /nfs/dbraw/zinc/74/07/99/564740799.db2.gz YKFPAUGRQVSGDC-UHFFFAOYSA-N -1 3 377.238 3.026 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)cc1 ZINC000132328698 564740904 /nfs/dbraw/zinc/74/09/04/564740904.db2.gz ZKJOUWSZSPPJKI-UHFFFAOYSA-N -1 3 376.547 3.387 20 0 GGADHM CCCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000065503438 564742529 /nfs/dbraw/zinc/74/25/29/564742529.db2.gz JBDKPVVYKODKGW-UHFFFAOYSA-N -1 3 388.898 3.107 20 0 GGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2nc3ncc(Br)cn3n2)c1 ZINC000065626953 564745397 /nfs/dbraw/zinc/74/53/97/564745397.db2.gz PHBNVPFPRMBYPM-UHFFFAOYSA-N -1 3 390.241 3.142 20 0 GGADHM CN(Cc1ccc(Br)s1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065752253 564748611 /nfs/dbraw/zinc/74/86/11/564748611.db2.gz CTNMXZVHHCFPAJ-UHFFFAOYSA-N -1 3 394.250 3.058 20 0 GGADHM CCCCOc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000132617811 564748913 /nfs/dbraw/zinc/74/89/13/564748913.db2.gz IGPFQLXWGUSMQF-UHFFFAOYSA-N -1 3 382.507 3.234 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(Br)s1 ZINC000065795284 564749913 /nfs/dbraw/zinc/74/99/13/564749913.db2.gz DWUYHUDDGHHCDC-WDEREUQCSA-N -1 3 376.272 3.484 20 0 GGADHM CN(Cc1cc(Br)cs1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065799096 564749931 /nfs/dbraw/zinc/74/99/31/564749931.db2.gz SDJFQVHEBVSUIA-UHFFFAOYSA-N -1 3 394.250 3.058 20 0 GGADHM CCn1c(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)nc2ccccc21 ZINC000065974995 564753534 /nfs/dbraw/zinc/75/35/34/564753534.db2.gz LPIVGEFAPMSBGT-UHFFFAOYSA-N -1 3 381.860 3.370 20 0 GGADHM COc1ccccc1[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N(C)C ZINC000132836147 564754122 /nfs/dbraw/zinc/75/41/22/564754122.db2.gz OSYFVXCIYNVGTE-HNNXBMFYSA-N -1 3 393.281 3.196 20 0 GGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1cccc(F)c1 ZINC000132840020 564754761 /nfs/dbraw/zinc/75/47/61/564754761.db2.gz TWVRULVCONQOEV-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM O=c1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cccn1CC(F)(F)F ZINC000132840457 564754796 /nfs/dbraw/zinc/75/47/96/564754796.db2.gz CYZCNVTZCFOAPZ-UHFFFAOYSA-N -1 3 384.738 3.004 20 0 GGADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(Br)c(Cl)c1 ZINC000132861557 564755271 /nfs/dbraw/zinc/75/52/71/564755271.db2.gz ZARFZBTZENCEDN-UHFFFAOYSA-N -1 3 387.646 3.175 20 0 GGADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(Br)c(Cl)c1 ZINC000132861557 564755274 /nfs/dbraw/zinc/75/52/74/564755274.db2.gz ZARFZBTZENCEDN-UHFFFAOYSA-N -1 3 387.646 3.175 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2cccc(Br)c2)n1 ZINC000132884318 564755783 /nfs/dbraw/zinc/75/57/83/564755783.db2.gz RPFBHPKPIGSUGJ-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM O=C(c1ccc(Br)c([O-])c1)N1CCN(CCc2ccccc2)CC1 ZINC000132936488 564758135 /nfs/dbraw/zinc/75/81/35/564758135.db2.gz RTFFXSYZDXKUIA-UHFFFAOYSA-N -1 3 389.293 3.155 20 0 GGADHM CSc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000133035652 564760970 /nfs/dbraw/zinc/76/09/70/564760970.db2.gz BRBQZOZHROYFRO-UHFFFAOYSA-N -1 3 380.466 3.241 20 0 GGADHM O=C(Cc1cccc(Cl)c1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133016870 564761120 /nfs/dbraw/zinc/76/11/20/564761120.db2.gz IAAHGADJJMBPDP-UHFFFAOYSA-N -1 3 382.844 3.101 20 0 GGADHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133037358 564761139 /nfs/dbraw/zinc/76/11/39/564761139.db2.gz DXXVTRAQZIMPIS-UHFFFAOYSA-N -1 3 382.844 3.101 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cs1 ZINC000133055493 564761847 /nfs/dbraw/zinc/76/18/47/564761847.db2.gz WLTMNKLIUAEAJF-SNAWJCMRSA-N -1 3 381.460 3.019 20 0 GGADHM CCCn1c(=O)[n-]nc1S(=O)(=O)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000133102700 564762858 /nfs/dbraw/zinc/76/28/58/564762858.db2.gz GZDLCIDNCHMFRP-GFCCVEGCSA-N -1 3 376.265 3.162 20 0 GGADHM CC(C)c1nc2ccc(NC(=O)C[N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000066347479 564764220 /nfs/dbraw/zinc/76/42/20/564764220.db2.gz JVNSUGZUKZIIRB-UHFFFAOYSA-N -1 3 395.531 3.398 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2nc(C(F)F)nc3ccccc32)s1 ZINC000066452031 564766958 /nfs/dbraw/zinc/76/69/58/564766958.db2.gz KRWHGSFXBABRAA-UHFFFAOYSA-N -1 3 384.433 3.149 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000133280694 564768464 /nfs/dbraw/zinc/76/84/64/564768464.db2.gz DITCJUNKPMDXOH-GFCCVEGCSA-N -1 3 391.320 3.063 20 0 GGADHM C[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000133272397 564768628 /nfs/dbraw/zinc/76/86/28/564768628.db2.gz HRELDDBJGJCONF-JTQLQIEISA-N -1 3 396.228 3.147 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066708539 564773109 /nfs/dbraw/zinc/77/31/09/564773109.db2.gz RPSBQCPTYYWSBH-INIZCTEOSA-N -1 3 377.231 3.478 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C[C@H]2CCCCO2)c(F)cc1F ZINC000133553687 564777366 /nfs/dbraw/zinc/77/73/66/564777366.db2.gz ZBHUYWAYTWTLIE-LLVKDONJSA-N -1 3 376.425 3.014 20 0 GGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1Cl ZINC000133599093 564779562 /nfs/dbraw/zinc/77/95/62/564779562.db2.gz JNGIKXZDKKINQV-UHFFFAOYSA-N -1 3 385.272 3.389 20 0 GGADHM Cc1noc(CCC[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1 ZINC000066935270 564779659 /nfs/dbraw/zinc/77/96/59/564779659.db2.gz LRLFMKYCUAMFMR-UHFFFAOYSA-N -1 3 378.281 3.213 20 0 GGADHM Cc1cc2sc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)nc2c(C)c1 ZINC000067043437 564782457 /nfs/dbraw/zinc/78/24/57/564782457.db2.gz FUXZLQFQIOUCJH-LLVKDONJSA-N -1 3 395.531 3.280 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000067147907 564786048 /nfs/dbraw/zinc/78/60/48/564786048.db2.gz VYMDPNFPQXZDSF-UHFFFAOYSA-N -1 3 383.267 3.447 20 0 GGADHM CN(CC(=O)Nc1cc(Cl)ccc1[O-])S(=O)(=O)c1ccc(Cl)s1 ZINC000067145493 564786128 /nfs/dbraw/zinc/78/61/28/564786128.db2.gz WXWQNEKWVUCKQI-UHFFFAOYSA-N -1 3 395.289 3.020 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1C1CC1 ZINC000133952533 564789987 /nfs/dbraw/zinc/78/99/87/564789987.db2.gz VTUMUGJJTWTOHJ-UHFFFAOYSA-N -1 3 394.806 3.072 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1cc2ccccc2o1 ZINC000133976472 564790295 /nfs/dbraw/zinc/79/02/95/564790295.db2.gz PRFALCYVLZGMPM-UHFFFAOYSA-N -1 3 380.535 3.073 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1C1CC1 ZINC000133968016 564790726 /nfs/dbraw/zinc/79/07/26/564790726.db2.gz QVUXUIBGSXWXRJ-UHFFFAOYSA-N -1 3 395.699 3.360 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000134302346 564799212 /nfs/dbraw/zinc/79/92/12/564799212.db2.gz DGNLJJRPBKKTOG-UHFFFAOYSA-N -1 3 387.914 3.122 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)ccc1=O ZINC000067890638 564801601 /nfs/dbraw/zinc/80/16/01/564801601.db2.gz FSXHHSLGZASRGM-UHFFFAOYSA-N -1 3 391.674 3.085 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc(Br)ccc1Cl ZINC000067946921 564804205 /nfs/dbraw/zinc/80/42/05/564804205.db2.gz IFTQEZRUTBMVFS-UHFFFAOYSA-N -1 3 393.734 3.008 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000067947461 564804248 /nfs/dbraw/zinc/80/42/48/564804248.db2.gz WPCUWLGQEARREX-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000068038698 564806627 /nfs/dbraw/zinc/80/66/27/564806627.db2.gz XBVZGNOZBDYBCW-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068076605 564807589 /nfs/dbraw/zinc/80/75/89/564807589.db2.gz UPQNFXYYJQAXTE-UHFFFAOYSA-N -1 3 384.251 3.289 20 0 GGADHM CC[C@H]1CCc2nc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000068385486 564816704 /nfs/dbraw/zinc/81/67/04/564816704.db2.gz FDOWMOJGOSUMMB-MNOVXSKESA-N -1 3 399.563 3.025 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000068383704 564816901 /nfs/dbraw/zinc/81/69/01/564816901.db2.gz PCVVENQXEJYYEU-ZBFHGGJFSA-N -1 3 378.519 3.087 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000068383709 564816941 /nfs/dbraw/zinc/81/69/41/564816941.db2.gz PCVVENQXEJYYEU-GOEBONIOSA-N -1 3 378.519 3.087 20 0 GGADHM COc1ccc(N(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1Cl ZINC000135090238 564824092 /nfs/dbraw/zinc/82/40/92/564824092.db2.gz VNEUCBRQSPWVKB-UHFFFAOYSA-N -1 3 386.832 3.136 20 0 GGADHM Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000135093454 564824373 /nfs/dbraw/zinc/82/43/73/564824373.db2.gz FAVQLIZKPMLJIP-MRVPVSSYSA-N -1 3 392.282 3.490 20 0 GGADHM Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000135093454 564824375 /nfs/dbraw/zinc/82/43/75/564824375.db2.gz FAVQLIZKPMLJIP-MRVPVSSYSA-N -1 3 392.282 3.490 20 0 GGADHM Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000135093454 564824377 /nfs/dbraw/zinc/82/43/77/564824377.db2.gz FAVQLIZKPMLJIP-MRVPVSSYSA-N -1 3 392.282 3.490 20 0 GGADHM CN(C)Cc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1F ZINC000135192044 564824866 /nfs/dbraw/zinc/82/48/66/564824866.db2.gz CVXRUVGNPOPTPM-UHFFFAOYSA-N -1 3 381.245 3.285 20 0 GGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3cc(Br)ccc3F)cn21 ZINC000068944508 564830282 /nfs/dbraw/zinc/83/02/82/564830282.db2.gz HOKHAJIYOILJLG-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(Cl)s1 ZINC000069042255 564831756 /nfs/dbraw/zinc/83/17/56/564831756.db2.gz BWDVTZQFXKCYME-SNVBAGLBSA-N -1 3 392.880 3.485 20 0 GGADHM CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135515175 564833184 /nfs/dbraw/zinc/83/31/84/564833184.db2.gz YQNCAWWVPCUEEQ-UHFFFAOYSA-N -1 3 394.534 3.033 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(Br)cc2)C2CCC2)c1 ZINC000069114169 564833613 /nfs/dbraw/zinc/83/36/13/564833613.db2.gz MWVIRLPSJXQOSI-OAHLLOKOSA-N -1 3 384.299 3.002 20 0 GGADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000069131228 564833731 /nfs/dbraw/zinc/83/37/31/564833731.db2.gz KVAXYFSQACYYCC-MRXNPFEDSA-N -1 3 380.535 3.074 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCC(C)C)s1 ZINC000069161930 564834216 /nfs/dbraw/zinc/83/42/16/564834216.db2.gz PCNVSMBXINJXDV-DOTOQJQBSA-N -1 3 386.583 3.310 20 0 GGADHM COc1ccccc1[C@H](CNC(=O)c1cc(Br)ccc1[O-])N(C)C ZINC000069210220 564835440 /nfs/dbraw/zinc/83/54/40/564835440.db2.gz RJMVHBCCIMKTKP-HNNXBMFYSA-N -1 3 393.281 3.196 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000069231030 564836385 /nfs/dbraw/zinc/83/63/85/564836385.db2.gz NFWZCJFVXSTFHV-OAHLLOKOSA-N -1 3 377.282 3.057 20 0 GGADHM CN(C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000136265977 564846997 /nfs/dbraw/zinc/84/69/97/564846997.db2.gz WZWGXHHUMKOFLU-MRXNPFEDSA-N -1 3 392.297 3.257 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000070694780 564850093 /nfs/dbraw/zinc/85/00/93/564850093.db2.gz OKLPZBOCFJIILO-CYBMUJFWSA-N -1 3 384.548 3.014 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CC=CCC1 ZINC000070853353 564852035 /nfs/dbraw/zinc/85/20/35/564852035.db2.gz GUHRQSJDGOIPOD-GFCCVEGCSA-N -1 3 391.320 3.134 20 0 GGADHM CN(CCNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000136605063 564852784 /nfs/dbraw/zinc/85/27/84/564852784.db2.gz IQHUSHASELORGA-UHFFFAOYSA-N -1 3 378.270 3.090 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000136784255 564854911 /nfs/dbraw/zinc/85/49/11/564854911.db2.gz WDOWGTCGJBJLFM-VHSXEESVSA-N -1 3 390.889 3.085 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1ccc(Br)cc1Cl ZINC000071354488 564856417 /nfs/dbraw/zinc/85/64/17/564856417.db2.gz OMNFDPPBZWTEBC-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM COc1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000137256234 564860105 /nfs/dbraw/zinc/86/01/05/564860105.db2.gz IBKCJTUCWHXBBH-UHFFFAOYSA-N -1 3 379.254 3.471 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(F)c(F)cc1Br ZINC000137271935 564861014 /nfs/dbraw/zinc/86/10/14/564861014.db2.gz OHNWNHUVADKMML-UHFFFAOYSA-N -1 3 392.181 3.008 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000078613006 564864105 /nfs/dbraw/zinc/86/41/05/564864105.db2.gz ODQSNCBQCJGBAO-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Br)c2)cc1OC ZINC000078612981 564864143 /nfs/dbraw/zinc/86/41/43/564864143.db2.gz XWQOHDAXZUQTHG-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C)c1Cl ZINC000139421225 564868767 /nfs/dbraw/zinc/86/87/67/564868767.db2.gz SXYZINRKBLTNQS-JTQLQIEISA-N -1 3 381.325 3.192 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1ccco1 ZINC000089967821 564870315 /nfs/dbraw/zinc/87/03/15/564870315.db2.gz USTFHHDBORXOLD-GFCCVEGCSA-N -1 3 392.308 3.343 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1ccco1 ZINC000089967820 564870366 /nfs/dbraw/zinc/87/03/66/564870366.db2.gz USTFHHDBORXOLD-LBPRGKRZSA-N -1 3 392.308 3.343 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cnc(-c2ccccc2)s1 ZINC000091791013 564872975 /nfs/dbraw/zinc/87/29/75/564872975.db2.gz KYAMHFUADHDPSF-UHFFFAOYSA-N -1 3 393.515 3.179 20 0 GGADHM CC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000141777032 564874179 /nfs/dbraw/zinc/87/41/79/564874179.db2.gz VNEXDTGYHFVSIQ-BXUZGUMPSA-N -1 3 386.926 3.336 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000141943346 564874311 /nfs/dbraw/zinc/87/43/11/564874311.db2.gz VYAIMQQZSJTKLB-CJNGLKHVSA-N -1 3 380.535 3.319 20 0 GGADHM Cc1cc(OC(C)C)ccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142027893 564874442 /nfs/dbraw/zinc/87/44/42/564874442.db2.gz CAIXAKYOJLPNGD-ZDUSSCGKSA-N -1 3 382.507 3.149 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000141873197 564874583 /nfs/dbraw/zinc/87/45/83/564874583.db2.gz QVJKMOJLQNOMQL-SWLSCSKDSA-N -1 3 398.937 3.432 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000141873570 564874608 /nfs/dbraw/zinc/87/46/08/564874608.db2.gz QVJKMOJLQNOMQL-WFASDCNBSA-N -1 3 398.937 3.432 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000142196337 564875207 /nfs/dbraw/zinc/87/52/07/564875207.db2.gz ZRFZJLMWYHYYAF-LLVKDONJSA-N -1 3 399.563 3.169 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)c1 ZINC000092264177 564876081 /nfs/dbraw/zinc/87/60/81/564876081.db2.gz YYWDSYNRKDUXIU-UHFFFAOYSA-N -1 3 399.310 3.109 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC000143449870 564876611 /nfs/dbraw/zinc/87/66/11/564876611.db2.gz NACLYHNNJFQAAI-QGZVFWFLSA-N -1 3 392.249 3.377 20 0 GGADHM O=C(NCCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000144345572 564877868 /nfs/dbraw/zinc/87/78/68/564877868.db2.gz NOGOEOXPRAFYAK-UHFFFAOYSA-N -1 3 378.215 3.241 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000092505541 564878608 /nfs/dbraw/zinc/87/86/08/564878608.db2.gz AEVICVRKMHBTIQ-UHFFFAOYSA-N -1 3 393.515 3.374 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)sc1Br ZINC000149993706 564886903 /nfs/dbraw/zinc/88/69/03/564886903.db2.gz HWCLDICRRKYEFS-NSHDSACASA-N -1 3 388.308 3.101 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(Cl)ccc2Br)s1 ZINC000150735748 564888844 /nfs/dbraw/zinc/88/88/44/564888844.db2.gz LVLJWCLVAYYCMR-UHFFFAOYSA-N -1 3 390.646 3.383 20 0 GGADHM CCCCN(CCCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000093907700 564892723 /nfs/dbraw/zinc/89/27/23/564892723.db2.gz JHQBCJWSCFUXON-UHFFFAOYSA-N -1 3 394.534 3.178 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCC(C)(C)C)cc1F ZINC000093920637 564893623 /nfs/dbraw/zinc/89/36/23/564893623.db2.gz HVACTBWXIDOIEU-UHFFFAOYSA-N -1 3 394.534 3.082 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccccc2Br)c1 ZINC000150863769 564894571 /nfs/dbraw/zinc/89/45/71/564894571.db2.gz MKCNJCAZPWXQAE-LLVKDONJSA-N -1 3 391.265 3.474 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)c1 ZINC000150866133 564894939 /nfs/dbraw/zinc/89/49/39/564894939.db2.gz AGWMDOOGEVXFGR-UHFFFAOYSA-N -1 3 386.882 3.107 20 0 GGADHM COc1cc(F)cc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000094058387 564895312 /nfs/dbraw/zinc/89/53/12/564895312.db2.gz VGHNFOQFCQAFAX-UHFFFAOYSA-N -1 3 383.217 3.302 20 0 GGADHM Cc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)ccc1OC(C)C ZINC000150877839 564895508 /nfs/dbraw/zinc/89/55/08/564895508.db2.gz AVIJVXFLIKHJPI-ZDUSSCGKSA-N -1 3 382.507 3.149 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)ccc1OC(C)C ZINC000150877810 564895755 /nfs/dbraw/zinc/89/57/55/564895755.db2.gz AVIJVXFLIKHJPI-CYBMUJFWSA-N -1 3 382.507 3.149 20 0 GGADHM CC(C)C[C@@H](CCO)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000150948468 564898164 /nfs/dbraw/zinc/89/81/64/564898164.db2.gz FBUZZNCDAGVPKB-GFCCVEGCSA-N -1 3 395.297 3.065 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000096554764 564902087 /nfs/dbraw/zinc/90/20/87/564902087.db2.gz XJBVFHKYKPEEGZ-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)s1 ZINC000096742848 564903147 /nfs/dbraw/zinc/90/31/47/564903147.db2.gz MPLUZULTFAIPPQ-VIFPVBQESA-N -1 3 375.313 3.124 20 0 GGADHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151127814 564906467 /nfs/dbraw/zinc/90/64/67/564906467.db2.gz DFUVVWGGSDUKDT-NSHDSACASA-N -1 3 384.851 3.369 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000097271897 564907320 /nfs/dbraw/zinc/90/73/20/564907320.db2.gz YLQXHHXHXKYCHR-ZFWWWQNUSA-N -1 3 391.798 3.295 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1 ZINC000151151146 564907558 /nfs/dbraw/zinc/90/75/58/564907558.db2.gz XPRFBXNZISMFER-LLVKDONJSA-N -1 3 387.288 3.440 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171761 564907883 /nfs/dbraw/zinc/90/78/83/564907883.db2.gz WWFMNARWXIGEIC-NSHDSACASA-N -1 3 382.835 3.121 20 0 GGADHM C[C@@H](c1ccccc1Cl)N(C(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000098101695 564912272 /nfs/dbraw/zinc/91/22/72/564912272.db2.gz OBMHCQCGFPJSNY-LBPRGKRZSA-N -1 3 398.937 3.432 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc(-c3ccccc3Cl)cs2)cc1S(N)(=O)=O ZINC000151323866 564915197 /nfs/dbraw/zinc/91/51/97/564915197.db2.gz ZGNCEIYIKZKGPG-UHFFFAOYSA-N -1 3 397.865 3.265 20 0 GGADHM COc1ccc(CNC(=O)c2c[n-]c3ccccc3c2=O)cc1Br ZINC000101533278 564916592 /nfs/dbraw/zinc/91/65/92/564916592.db2.gz JNEQZVDMXZUOGU-UHFFFAOYSA-N -1 3 387.233 3.229 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc(F)c1F ZINC000101575794 564918317 /nfs/dbraw/zinc/91/83/17/564918317.db2.gz UNGBYAFSNRNZHP-CYBMUJFWSA-N -1 3 386.489 3.217 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1nccs1 ZINC000151453524 564920740 /nfs/dbraw/zinc/92/07/40/564920740.db2.gz MDXSEBBTAKMKML-HNNXBMFYSA-N -1 3 388.898 3.171 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2)o1 ZINC000151525165 564924002 /nfs/dbraw/zinc/92/40/02/564924002.db2.gz YQRTVTYKXBLKAX-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnn(-c2ccccc2F)c1 ZINC000151520214 564924208 /nfs/dbraw/zinc/92/42/08/564924208.db2.gz GFODJCAMGMRINC-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM COc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)CO2 ZINC000151518457 564924554 /nfs/dbraw/zinc/92/45/54/564924554.db2.gz VUSLWFDZEVPYML-CYBMUJFWSA-N -1 3 392.249 3.031 20 0 GGADHM CCN(C)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000151522399 564924570 /nfs/dbraw/zinc/92/45/70/564924570.db2.gz WMUMHZOAQQMFBK-QGZVFWFLSA-N -1 3 377.282 3.464 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000151537460 564925321 /nfs/dbraw/zinc/92/53/21/564925321.db2.gz ZVVSDYBRSJIJAT-KRWDZBQOSA-N -1 3 389.293 3.436 20 0 GGADHM CCN(C)C(=O)c1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151540860 564925435 /nfs/dbraw/zinc/92/54/35/564925435.db2.gz DFFIVQWNHWMSFH-UHFFFAOYSA-N -1 3 391.265 3.177 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(-c2cccc(F)c2)n1 ZINC000151556924 564926128 /nfs/dbraw/zinc/92/61/28/564926128.db2.gz ZOFXCSVPWWYURD-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM Cc1noc2nc(C)cc(C(=O)NCc3ccc([O-])c(Br)c3)c12 ZINC000151563462 564926193 /nfs/dbraw/zinc/92/61/93/564926193.db2.gz FGXXNECZXSVZMC-UHFFFAOYSA-N -1 3 376.210 3.238 20 0 GGADHM O=C(CCCc1nc(C2CC2)no1)NCc1ccc([O-])c(Br)c1 ZINC000151560700 564926443 /nfs/dbraw/zinc/92/64/43/564926443.db2.gz BUCMMUJNRTVMRO-UHFFFAOYSA-N -1 3 380.242 3.054 20 0 GGADHM C[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)C1CCCCC1 ZINC000151557214 564926449 /nfs/dbraw/zinc/92/64/49/564926449.db2.gz PXBOHUSCFZZOII-LBPRGKRZSA-N -1 3 397.313 3.246 20 0 GGADHM O=C(C[C@@H]1OCCc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000151575908 564927046 /nfs/dbraw/zinc/92/70/46/564927046.db2.gz RNJRKCCGWASSOD-KRWDZBQOSA-N -1 3 376.250 3.475 20 0 GGADHM O=C(CCc1nc(C2CCCC2)no1)NCc1ccc([O-])c(Br)c1 ZINC000151596909 564929287 /nfs/dbraw/zinc/92/92/87/564929287.db2.gz GBHBQTXEUKAVFL-UHFFFAOYSA-N -1 3 394.269 3.444 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000102411997 564929516 /nfs/dbraw/zinc/92/95/16/564929516.db2.gz WQTLNHLEMVYFKW-CQSZACIVSA-N -1 3 383.901 3.058 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)cs1 ZINC000102413349 564929732 /nfs/dbraw/zinc/92/97/32/564929732.db2.gz IUPUPVCDYALIGD-UHFFFAOYSA-N -1 3 393.303 3.128 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnn(Cc2ccccc2)c1 ZINC000151615698 564930209 /nfs/dbraw/zinc/93/02/09/564930209.db2.gz FREUNTMXRAZKGJ-UHFFFAOYSA-N -1 3 386.249 3.330 20 0 GGADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151649065 564930964 /nfs/dbraw/zinc/93/09/64/564930964.db2.gz UVVVZLCELJTLPW-SNVBAGLBSA-N -1 3 380.286 3.000 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000151636643 564931074 /nfs/dbraw/zinc/93/10/74/564931074.db2.gz BSTXVLJIJNZCSA-GFCCVEGCSA-N -1 3 393.212 3.036 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)cc2nccnc21 ZINC000151651228 564932069 /nfs/dbraw/zinc/93/20/69/564932069.db2.gz KSUSEJUHIVDUKX-UHFFFAOYSA-N -1 3 376.185 3.167 20 0 GGADHM CCCCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)CCC)cc2)s1 ZINC000102751975 564935290 /nfs/dbraw/zinc/93/52/90/564935290.db2.gz CUGMSFMVSBOIJQ-UHFFFAOYSA-N -1 3 382.511 3.285 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000102751973 564935326 /nfs/dbraw/zinc/93/53/26/564935326.db2.gz LCTIRRIBOIDILS-UHFFFAOYSA-N -1 3 382.511 3.141 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000151770166 564936261 /nfs/dbraw/zinc/93/62/61/564936261.db2.gz WEYJWQGDIVHDKK-LLVKDONJSA-N -1 3 377.388 3.402 20 0 GGADHM C[C@H]1CN(CCCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000151792632 564936998 /nfs/dbraw/zinc/93/69/98/564936998.db2.gz IUJMVSSXZUQJLR-STQMWFEESA-N -1 3 395.352 3.161 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000151928316 564941044 /nfs/dbraw/zinc/94/10/44/564941044.db2.gz LJTQWGKJSRPNRB-CYBMUJFWSA-N -1 3 380.432 3.084 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3c4ccccc4C[C@H]3O)s2)cs1 ZINC000151965625 564942246 /nfs/dbraw/zinc/94/22/46/564942246.db2.gz HBDPGYKJQYWVSC-PBHICJAKSA-N -1 3 392.527 3.117 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C[C@@H](c2ccccc2)C(C)C)s1 ZINC000103067048 564942761 /nfs/dbraw/zinc/94/27/61/564942761.db2.gz GUIHTQBAEPJOKR-MRXNPFEDSA-N -1 3 380.535 3.102 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)c1 ZINC000151993082 564943004 /nfs/dbraw/zinc/94/30/04/564943004.db2.gz VAUHNEPGYPZHPH-UHFFFAOYSA-N -1 3 384.299 3.194 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000103156070 564943724 /nfs/dbraw/zinc/94/37/24/564943724.db2.gz JEBYGXMFEUWCHR-UHFFFAOYSA-N -1 3 390.908 3.185 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1 ZINC000103158116 564943795 /nfs/dbraw/zinc/94/37/95/564943795.db2.gz MIPUWRGLPLMSRP-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1cc(F)ccc1Cl ZINC000103155596 564943966 /nfs/dbraw/zinc/94/39/66/564943966.db2.gz JIUXQSBPCVIVOU-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM Cc1ccc(I)cc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000152084187 564946790 /nfs/dbraw/zinc/94/67/90/564946790.db2.gz FMJHHWDSFCVJSJ-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1ccc(I)cc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000152084187 564946792 /nfs/dbraw/zinc/94/67/92/564946792.db2.gz FMJHHWDSFCVJSJ-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1ccc(I)cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000152084187 564946794 /nfs/dbraw/zinc/94/67/94/564946794.db2.gz FMJHHWDSFCVJSJ-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1nc([N-]C(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)n[nH]1 ZINC000103435612 564947818 /nfs/dbraw/zinc/94/78/18/564947818.db2.gz HZLITKJLDCEFKN-UHFFFAOYSA-N -1 3 380.239 3.376 20 0 GGADHM CN(CC(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000103436716 564948103 /nfs/dbraw/zinc/94/81/03/564948103.db2.gz TZECVUGLSLVCJS-UHFFFAOYSA-N -1 3 388.823 3.478 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000103446161 564948990 /nfs/dbraw/zinc/94/89/90/564948990.db2.gz DNEKKYZGJMOLFP-ZDUSSCGKSA-N -1 3 398.575 3.406 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nc(C)c(C)s2)sc1Br ZINC000152215289 564950867 /nfs/dbraw/zinc/95/08/67/564950867.db2.gz WYTKEBJVCRSAMT-UHFFFAOYSA-N -1 3 395.369 3.413 20 0 GGADHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000104254284 564953970 /nfs/dbraw/zinc/95/39/70/564953970.db2.gz IITWKABWMGIWOF-INIZCTEOSA-N -1 3 389.249 3.067 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000152302867 564954354 /nfs/dbraw/zinc/95/43/54/564954354.db2.gz SZFKJPKTMBEWEI-NSHDSACASA-N -1 3 397.722 3.005 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)cc1Cl ZINC000104733771 564958518 /nfs/dbraw/zinc/95/85/18/564958518.db2.gz BKXGFXYAZQHVJU-UHFFFAOYSA-N -1 3 388.823 3.364 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)cc1Cl ZINC000104734278 564958586 /nfs/dbraw/zinc/95/85/86/564958586.db2.gz QSLPVNABUVRULJ-ZDUSSCGKSA-N -1 3 386.832 3.386 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000104756088 564958979 /nfs/dbraw/zinc/95/89/79/564958979.db2.gz ZJHOQUFMKRRIFT-UHFFFAOYSA-N -1 3 376.507 3.105 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000104756491 564959015 /nfs/dbraw/zinc/95/90/15/564959015.db2.gz YKRPOAXXGOAVND-UHFFFAOYSA-N -1 3 382.507 3.080 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)cc1Cl ZINC000104737348 564959024 /nfs/dbraw/zinc/95/90/24/564959024.db2.gz LITCEAZWZWKWAO-LBPRGKRZSA-N -1 3 382.844 3.056 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000104745330 564959184 /nfs/dbraw/zinc/95/91/84/564959184.db2.gz FTKHJOAKARCMCC-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104841900 564960172 /nfs/dbraw/zinc/96/01/72/564960172.db2.gz OLCGDYLVQRTZDI-JTQLQIEISA-N -1 3 387.233 3.166 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1nnc(-c2ccco2)[n-]1 ZINC000152484729 564961455 /nfs/dbraw/zinc/96/14/55/564961455.db2.gz ODWQWSOHFLJWKN-UHFFFAOYSA-N -1 3 386.209 3.490 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1nc(-c2ccco2)n[n-]1 ZINC000152484729 564961458 /nfs/dbraw/zinc/96/14/58/564961458.db2.gz ODWQWSOHFLJWKN-UHFFFAOYSA-N -1 3 386.209 3.490 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1n[n-]c(-c2ccco2)n1 ZINC000152484729 564961463 /nfs/dbraw/zinc/96/14/63/564961463.db2.gz ODWQWSOHFLJWKN-UHFFFAOYSA-N -1 3 386.209 3.490 20 0 GGADHM NC(=O)[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000152546484 564963370 /nfs/dbraw/zinc/96/33/70/564963370.db2.gz OLZJNLDLFQUCDL-OAHLLOKOSA-N -1 3 398.868 3.199 20 0 GGADHM NC(=O)[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1ccc(F)cc1 ZINC000152530519 564963381 /nfs/dbraw/zinc/96/33/81/564963381.db2.gz AGDRWPDRISLZIV-HNNXBMFYSA-N -1 3 398.868 3.199 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC000152539997 564963472 /nfs/dbraw/zinc/96/34/72/564963472.db2.gz FMROVFOTXKZQNJ-UONOGXRCSA-N -1 3 384.299 3.061 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)c1 ZINC000152557500 564964475 /nfs/dbraw/zinc/96/44/75/564964475.db2.gz FVIUTGDNTKPZSH-AWEZNQCLSA-N -1 3 398.278 3.178 20 0 GGADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000152727945 564969843 /nfs/dbraw/zinc/96/98/43/564969843.db2.gz RUSZFFPAMPXWMO-CQSZACIVSA-N -1 3 383.539 3.179 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000105617129 564969880 /nfs/dbraw/zinc/96/98/80/564969880.db2.gz BTTWPAZCBBEPOI-UHFFFAOYSA-N -1 3 391.276 3.274 20 0 GGADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)s3)nc(=O)c2c1C ZINC000105653829 564970556 /nfs/dbraw/zinc/97/05/56/564970556.db2.gz AYNHTKADUGPLQH-UHFFFAOYSA-N -1 3 376.459 3.265 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000152765937 564970748 /nfs/dbraw/zinc/97/07/48/564970748.db2.gz RAAGEWHOIVBFON-GXTWGEPZSA-N -1 3 384.299 3.061 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1ccc(Br)c(Cl)c1 ZINC000152789676 564971505 /nfs/dbraw/zinc/97/15/05/564971505.db2.gz MCHIZDJBWPXTOZ-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2csc(-c3cccs3)n2)on1 ZINC000105713406 564973417 /nfs/dbraw/zinc/97/34/17/564973417.db2.gz LAWPTGRBQMYOAP-SNVBAGLBSA-N -1 3 397.503 3.110 20 0 GGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccc(Br)cc1 ZINC000152836427 564973787 /nfs/dbraw/zinc/97/37/87/564973787.db2.gz UZMKLXIEQUXMLE-UHFFFAOYSA-N -1 3 392.253 3.096 20 0 GGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000152910984 564976460 /nfs/dbraw/zinc/97/64/60/564976460.db2.gz RFAUBFQERDQLGN-UHFFFAOYSA-N -1 3 399.266 3.279 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000152963065 564979109 /nfs/dbraw/zinc/97/91/09/564979109.db2.gz MOHNTIZEHATBAH-IINYFYTJSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(Cl)c1Cl ZINC000152983648 564979712 /nfs/dbraw/zinc/97/97/12/564979712.db2.gz BGIUYGOEZGMUGS-YGRLFVJLSA-N -1 3 382.334 3.326 20 0 GGADHM O=c1[n-]nc(SCc2ccc(Cl)c3cccnc23)n1C[C@@H]1CCCO1 ZINC000106280503 564981490 /nfs/dbraw/zinc/98/14/90/564981490.db2.gz DYAZKDNGJGMUKY-LBPRGKRZSA-N -1 3 376.869 3.244 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000153047595 564982882 /nfs/dbraw/zinc/98/28/82/564982882.db2.gz JELMYNQLQARGQE-NSHDSACASA-N -1 3 386.823 3.261 20 0 GGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1cccc(Br)c1 ZINC000153124132 564985257 /nfs/dbraw/zinc/98/52/57/564985257.db2.gz QMHWCXYEUUAGGM-UHFFFAOYSA-N -1 3 392.253 3.096 20 0 GGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccccc1Br ZINC000153116736 564985278 /nfs/dbraw/zinc/98/52/78/564985278.db2.gz XJCFNLBFFXZXNU-UHFFFAOYSA-N -1 3 392.253 3.096 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1nc(C(C)(C)C)cs1 ZINC000106893262 564990848 /nfs/dbraw/zinc/99/08/48/564990848.db2.gz FRRUJSKKDHDBCW-NSHDSACASA-N -1 3 382.507 3.251 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000153352313 564991704 /nfs/dbraw/zinc/99/17/04/564991704.db2.gz HEKCKNCTPRSHMH-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]2CCO[C@@H]21 ZINC000153347823 564992051 /nfs/dbraw/zinc/99/20/51/564992051.db2.gz AYWWVDUZQJGRFZ-WQAKAFBOSA-N -1 3 383.819 3.451 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2ccc(Br)cc2)c1 ZINC000106919598 564992570 /nfs/dbraw/zinc/99/25/70/564992570.db2.gz SKFFLWRNDCFBTR-UHFFFAOYSA-N -1 3 391.265 3.428 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000153376420 564992789 /nfs/dbraw/zinc/99/27/89/564992789.db2.gz QHAGXLSZWGQRQT-WZYXQFPFSA-N -1 3 380.293 3.094 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153388829 564992854 /nfs/dbraw/zinc/99/28/54/564992854.db2.gz LBFRPKROHNVNQF-BIMULSAOSA-N -1 3 383.819 3.451 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153424453 564994394 /nfs/dbraw/zinc/99/43/94/564994394.db2.gz PZPRTRBYBOLECY-LLVKDONJSA-N -1 3 382.869 3.375 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153422504 564994530 /nfs/dbraw/zinc/99/45/30/564994530.db2.gz WRKWFBPJHOEUCK-BIMULSAOSA-N -1 3 394.718 3.194 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000153425793 564994545 /nfs/dbraw/zinc/99/45/45/564994545.db2.gz VGDBEBKOKMQSEN-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc21 ZINC000153425710 564994610 /nfs/dbraw/zinc/99/46/10/564994610.db2.gz PCSJIHRGCJHGGC-UHFFFAOYSA-N -1 3 380.853 3.010 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000107446331 564999038 /nfs/dbraw/zinc/99/90/38/564999038.db2.gz WENOAFRSTZOVJL-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM CSc1nc2nc(C)c(CC(=O)Nc3ccc(Cl)cc3[O-])c(C)n2n1 ZINC000153529947 564999459 /nfs/dbraw/zinc/99/94/59/564999459.db2.gz ZSHQPVIRCWULCS-UHFFFAOYSA-N -1 3 377.857 3.003 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000153539465 564999661 /nfs/dbraw/zinc/99/96/61/564999661.db2.gz ZVGHLLKJYAPOMK-UHFFFAOYSA-N -1 3 382.869 3.165 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1csc(I)c1 ZINC000107462621 565000068 /nfs/dbraw/zinc/00/00/68/565000068.db2.gz UQHUZRIXWNZPTK-UHFFFAOYSA-N -1 3 387.174 3.394 20 0 GGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2sccc2Br)cn1 ZINC000107704993 565002582 /nfs/dbraw/zinc/00/25/82/565002582.db2.gz CQIPJRITBVJHSO-UHFFFAOYSA-N -1 3 391.312 3.173 20 0 GGADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3cccc(Cl)c3Cl)nc12 ZINC000107837494 565003051 /nfs/dbraw/zinc/00/30/51/565003051.db2.gz ILYJHDHKZCRALY-UHFFFAOYSA-N -1 3 384.288 3.471 20 0 GGADHM O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1[O-] ZINC000153619025 565003144 /nfs/dbraw/zinc/00/31/44/565003144.db2.gz BTSBNRIUOTWQAS-UHFFFAOYSA-N -1 3 389.260 3.006 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1nc(C(F)(F)F)cs1 ZINC000153720797 565008350 /nfs/dbraw/zinc/00/83/50/565008350.db2.gz NOSPNTCIDZHEIZ-SECBINFHSA-N -1 3 382.433 3.369 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000108270994 565009119 /nfs/dbraw/zinc/00/91/19/565009119.db2.gz MEAPBZNNRZDQGN-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM Cc1ccc([C@@H](C)N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000153745331 565009300 /nfs/dbraw/zinc/00/93/00/565009300.db2.gz OHXJOOMWEJIDAH-GFCCVEGCSA-N -1 3 386.926 3.208 20 0 GGADHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000153908480 565016738 /nfs/dbraw/zinc/01/67/38/565016738.db2.gz LBCOCCVKEOAYJX-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000108817103 565016980 /nfs/dbraw/zinc/01/69/80/565016980.db2.gz IMVROYNGEGDVHH-SECBINFHSA-N -1 3 399.544 3.239 20 0 GGADHM Cc1ccccc1-c1csc(NC(=O)C[N-]S(=O)(=O)c2cccs2)n1 ZINC000108818131 565017401 /nfs/dbraw/zinc/01/74/01/565017401.db2.gz HTWODDLEBMHUQX-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)C[N-]S(=O)(=O)c3cccs3)n2)s1 ZINC000108817753 565017419 /nfs/dbraw/zinc/01/74/19/565017419.db2.gz PZXWPDMCPZIGPU-UHFFFAOYSA-N -1 3 399.544 3.159 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1ccc(Br)s1 ZINC000108875394 565018287 /nfs/dbraw/zinc/01/82/87/565018287.db2.gz LLIBYHXZOCIEEK-JTQLQIEISA-N -1 3 388.308 3.355 20 0 GGADHM CC(C)(C)c1csc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000153943230 565018601 /nfs/dbraw/zinc/01/86/01/565018601.db2.gz QNBYTOPTRHVDGP-UHFFFAOYSA-N -1 3 393.943 3.073 20 0 GGADHM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)C1CC1 ZINC000109050748 565020673 /nfs/dbraw/zinc/02/06/73/565020673.db2.gz MWYQJCFTOZJWCT-UHFFFAOYSA-N -1 3 378.881 3.053 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1cccc(Cl)c1F ZINC000109064711 565020834 /nfs/dbraw/zinc/02/08/34/565020834.db2.gz BUVUSDVEOYJXIV-UHFFFAOYSA-N -1 3 383.807 3.282 20 0 GGADHM CC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000109164381 565021545 /nfs/dbraw/zinc/02/15/45/565021545.db2.gz GGOAZRIKSPAMLJ-BXUZGUMPSA-N -1 3 386.926 3.336 20 0 GGADHM O=C(NCCCF)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000154032059 565022740 /nfs/dbraw/zinc/02/27/40/565022740.db2.gz NLDCKRDIHJIQPO-UHFFFAOYSA-N -1 3 388.823 3.369 20 0 GGADHM Cc1nc(Cc2noc(-c3n[n-]c(-c4ccccc4)c3Br)n2)no1 ZINC000109511122 565027544 /nfs/dbraw/zinc/02/75/44/565027544.db2.gz UNEFKFQHHDQKLL-UHFFFAOYSA-N -1 3 387.197 3.171 20 0 GGADHM Cc1nc(Cc2noc(-c3[n-]nc(-c4ccccc4)c3Br)n2)no1 ZINC000109511122 565027546 /nfs/dbraw/zinc/02/75/46/565027546.db2.gz UNEFKFQHHDQKLL-UHFFFAOYSA-N -1 3 387.197 3.171 20 0 GGADHM CC(C)N(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1 ZINC000154224126 565030137 /nfs/dbraw/zinc/03/01/37/565030137.db2.gz WXWRINWVVKLZKA-UHFFFAOYSA-N -1 3 393.336 3.451 20 0 GGADHM C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(O)cc1[O-] ZINC000154240099 565030851 /nfs/dbraw/zinc/03/08/51/565030851.db2.gz PTGLZCOTPQWMKD-PIGZYNQJSA-N -1 3 392.249 3.463 20 0 GGADHM C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(O)cc1[O-] ZINC000154240404 565030977 /nfs/dbraw/zinc/03/09/77/565030977.db2.gz PTGLZCOTPQWMKD-GTNSWQLSSA-N -1 3 392.249 3.463 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1ccc(Br)c(Cl)c1 ZINC000154260029 565032099 /nfs/dbraw/zinc/03/20/99/565032099.db2.gz SRQOLYTYLAAYDL-AWEZNQCLSA-N -1 3 390.686 3.114 20 0 GGADHM Cn1c(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)nc2c1cccc2F ZINC000109839628 565032165 /nfs/dbraw/zinc/03/21/65/565032165.db2.gz XGZCFMYGSHGECB-UHFFFAOYSA-N -1 3 385.823 3.026 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000110154533 565036718 /nfs/dbraw/zinc/03/67/18/565036718.db2.gz HQDDRSBSFWKWRC-UHFFFAOYSA-N -1 3 393.515 3.374 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc(-c2cccs2)cs1 ZINC000110165503 565036897 /nfs/dbraw/zinc/03/68/97/565036897.db2.gz AZXUUGZMTPMZEX-UHFFFAOYSA-N -1 3 399.544 3.436 20 0 GGADHM Cc1sc(C(=O)[N-]c2nc(-c3ccsc3)ns2)cc1CS(C)(=O)=O ZINC000154388579 565037072 /nfs/dbraw/zinc/03/70/72/565037072.db2.gz WGUXLTRVQIWWDQ-UHFFFAOYSA-N -1 3 399.544 3.433 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000110211193 565037627 /nfs/dbraw/zinc/03/76/27/565037627.db2.gz QHXJUMLDNXKQAL-UHFFFAOYSA-N -1 3 393.515 3.374 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000110244459 565037696 /nfs/dbraw/zinc/03/76/96/565037696.db2.gz JQXBXFUBYDGPCB-UHFFFAOYSA-N -1 3 399.563 3.366 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000110281623 565038380 /nfs/dbraw/zinc/03/83/80/565038380.db2.gz UWCXXQOIWHZGOO-UHFFFAOYSA-N -1 3 396.387 3.409 20 0 GGADHM CC(C)Oc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)c(F)c1 ZINC000110261826 565038632 /nfs/dbraw/zinc/03/86/32/565038632.db2.gz YXAXVEVQMDREPO-UHFFFAOYSA-N -1 3 386.470 3.177 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1C(F)(F)F ZINC000110591530 565042360 /nfs/dbraw/zinc/04/23/60/565042360.db2.gz KZZIOOIJTZDGJS-UHFFFAOYSA-N -1 3 375.368 3.186 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(CN2CCOCC2)c1 ZINC000110628702 565043144 /nfs/dbraw/zinc/04/31/44/565043144.db2.gz ISDZBKXZAXETJS-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154533352 565043506 /nfs/dbraw/zinc/04/35/06/565043506.db2.gz IABDRYRBDVNCEU-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM C[C@H]1CCC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000110711827 565044157 /nfs/dbraw/zinc/04/41/57/565044157.db2.gz WOUOAJSDALHRHF-RYUDHWBXSA-N -1 3 393.336 3.451 20 0 GGADHM CCCCCOCC(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000110688721 565044312 /nfs/dbraw/zinc/04/43/12/565044312.db2.gz XAEUHQUUYPAIGC-UHFFFAOYSA-N -1 3 378.441 3.262 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000154666555 565047975 /nfs/dbraw/zinc/04/79/75/565047975.db2.gz UVGUZXUGOLSVOQ-BIMULSAOSA-N -1 3 394.718 3.194 20 0 GGADHM CN(CC1CCC1)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000111068822 565049627 /nfs/dbraw/zinc/04/96/27/565049627.db2.gz YOGQVMNJHYPQPP-UHFFFAOYSA-N -1 3 384.548 3.160 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000111158297 565050942 /nfs/dbraw/zinc/05/09/42/565050942.db2.gz SXZARWOGKRUXLK-KBPBESRZSA-N -1 3 398.937 3.132 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000111158299 565051061 /nfs/dbraw/zinc/05/10/61/565051061.db2.gz SXZARWOGKRUXLK-KGLIPLIRSA-N -1 3 398.937 3.132 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)cn1 ZINC000111355848 565053351 /nfs/dbraw/zinc/05/33/51/565053351.db2.gz IMLYFBHNXKGGDL-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1Cc2ccccc2C1 ZINC000111362667 565053623 /nfs/dbraw/zinc/05/36/23/565053623.db2.gz IDALUZUJZCGSJW-UHFFFAOYSA-N -1 3 384.910 3.002 20 0 GGADHM COc1cc(C(=O)NCc2ccc(Br)cc2C)cc(OC)c1[O-] ZINC000154853134 565055043 /nfs/dbraw/zinc/05/50/43/565055043.db2.gz SFJRROZIPFWFIM-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CCCC1 ZINC000154879987 565055789 /nfs/dbraw/zinc/05/57/89/565055789.db2.gz BSOQQADJUYTHJB-UHFFFAOYSA-N -1 3 378.416 3.436 20 0 GGADHM O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cncc([O-])c1 ZINC000111618803 565056106 /nfs/dbraw/zinc/05/61/06/565056106.db2.gz TWTISQSAEKQFCE-UHFFFAOYSA-N -1 3 380.275 3.488 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)C1(c2cccs2)CCCCC1 ZINC000154923684 565057236 /nfs/dbraw/zinc/05/72/36/565057236.db2.gz AZUZDSQHGJCJFW-UHFFFAOYSA-N -1 3 398.575 3.106 20 0 GGADHM O=C(Nc1cnn(-c2ccccc2Br)c1)c1ccc2n[n-]nc2c1 ZINC000154951273 565057581 /nfs/dbraw/zinc/05/75/81/565057581.db2.gz ANQXPMDFXYCQJL-UHFFFAOYSA-N -1 3 383.209 3.158 20 0 GGADHM COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1ccccc1[O-] ZINC000155014376 565059533 /nfs/dbraw/zinc/05/95/33/565059533.db2.gz WBYJNXSNBWLZFI-OAHLLOKOSA-N -1 3 378.222 3.141 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000112271797 565061588 /nfs/dbraw/zinc/06/15/88/565061588.db2.gz BQQOLDKMIVIWJJ-UHFFFAOYSA-N -1 3 379.488 3.495 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000112286054 565062031 /nfs/dbraw/zinc/06/20/31/565062031.db2.gz ZRLGBMIMVPPQDP-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000112286054 565062032 /nfs/dbraw/zinc/06/20/32/565062032.db2.gz ZRLGBMIMVPPQDP-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000112286054 565062033 /nfs/dbraw/zinc/06/20/33/565062033.db2.gz ZRLGBMIMVPPQDP-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)c1 ZINC000112362004 565062948 /nfs/dbraw/zinc/06/29/48/565062948.db2.gz NUEGYYWWCHWGAU-UHFFFAOYSA-N -1 3 382.869 3.011 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000112361280 565063067 /nfs/dbraw/zinc/06/30/67/565063067.db2.gz XYJSIMRCYVQXSU-NSHDSACASA-N -1 3 382.869 3.347 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCCn2cnc3ccccc32)c1 ZINC000112361040 565063199 /nfs/dbraw/zinc/06/31/99/565063199.db2.gz UHFBHOLUCBRFDK-UHFFFAOYSA-N -1 3 379.869 3.067 20 0 GGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000155165991 565063333 /nfs/dbraw/zinc/06/33/33/565063333.db2.gz HMJWFQWMKUYDHN-JTQLQIEISA-N -1 3 384.723 3.180 20 0 GGADHM O=C(NCCOc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112626235 565064964 /nfs/dbraw/zinc/06/49/64/565064964.db2.gz IOCUGOWXHAWYRK-UHFFFAOYSA-N -1 3 387.233 3.099 20 0 GGADHM COCCN(CC(C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112628893 565065349 /nfs/dbraw/zinc/06/53/49/565065349.db2.gz WTOFBEPEYKPCCV-UHFFFAOYSA-N -1 3 381.270 3.035 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2ncc(-c3cccs3)o2)[n-]1 ZINC000155267047 565065446 /nfs/dbraw/zinc/06/54/46/565065446.db2.gz SCNHGYJOJFLSPJ-RUZDIDTESA-N -1 3 389.380 3.366 20 0 GGADHM C[C@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155269489 565065542 /nfs/dbraw/zinc/06/55/42/565065542.db2.gz COJBQCGIMWLUSD-IWHNICOQSA-N -1 3 377.388 3.496 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C1CCN(Cc2ccccc2C)CC1 ZINC000155285866 565065738 /nfs/dbraw/zinc/06/57/38/565065738.db2.gz 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ZINC000155403214 565067203 /nfs/dbraw/zinc/06/72/03/565067203.db2.gz ASDUVURPPTUKOT-UHFFFAOYSA-N -1 3 399.314 3.003 20 0 GGADHM O=C(CCCCc1ccc(Br)cc1)Nc1nc(SCCO)n[n-]1 ZINC000155403214 565067205 /nfs/dbraw/zinc/06/72/05/565067205.db2.gz ASDUVURPPTUKOT-UHFFFAOYSA-N -1 3 399.314 3.003 20 0 GGADHM O=C(CCCCc1ccc(Br)cc1)Nc1n[n-]c(SCCO)n1 ZINC000155403214 565067207 /nfs/dbraw/zinc/06/72/07/565067207.db2.gz ASDUVURPPTUKOT-UHFFFAOYSA-N -1 3 399.314 3.003 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155461115 565067916 /nfs/dbraw/zinc/06/79/16/565067916.db2.gz RFKFHDFZUGZZME-PELKAZGASA-N -1 3 397.722 3.005 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155461431 565067927 /nfs/dbraw/zinc/06/79/27/565067927.db2.gz RFKFHDFZUGZZME-QPUJVOFHSA-N -1 3 397.722 3.005 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)oc1C ZINC000113277805 565068875 /nfs/dbraw/zinc/06/88/75/565068875.db2.gz HGQQDKABSNIUPR-UHFFFAOYSA-N -1 3 392.260 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@H]1C ZINC000113286848 565068974 /nfs/dbraw/zinc/06/89/74/565068974.db2.gz ZOURVDWERADYDO-VXGBXAGGSA-N -1 3 393.336 3.202 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1sccc1Br ZINC000113301222 565069279 /nfs/dbraw/zinc/06/92/79/565069279.db2.gz NBNKKAJNSBJWKZ-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM Cc1cc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)[nH]1 ZINC000155596440 565069471 /nfs/dbraw/zinc/06/94/71/565069471.db2.gz YXYMRPMDFNEHLP-UHFFFAOYSA-N -1 3 375.372 3.274 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000155619235 565069698 /nfs/dbraw/zinc/06/96/98/565069698.db2.gz DFBWFHLZSZZEFN-VIFPVBQESA-N -1 3 375.853 3.340 20 0 GGADHM CCC[C@H](CC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000113420762 565069913 /nfs/dbraw/zinc/06/99/13/565069913.db2.gz MFELLKQEWVAHHW-RYUDHWBXSA-N -1 3 380.432 3.067 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F ZINC000113705006 565070765 /nfs/dbraw/zinc/07/07/65/565070765.db2.gz YFBAXMHCHQUMJM-UHFFFAOYSA-N -1 3 381.816 3.050 20 0 GGADHM CC(=O)NC(C)(C)c1noc(-c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000113760022 565071055 /nfs/dbraw/zinc/07/10/55/565071055.db2.gz AZKUENDJTJTOEQ-UHFFFAOYSA-N -1 3 390.241 3.260 20 0 GGADHM CC(=O)NC(C)(C)c1noc(-c2[n-]nc(-c3ccccc3)c2Br)n1 ZINC000113760022 565071057 /nfs/dbraw/zinc/07/10/57/565071057.db2.gz AZKUENDJTJTOEQ-UHFFFAOYSA-N -1 3 390.241 3.260 20 0 GGADHM CC(C)C[C@@H]1COCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000113916517 565071514 /nfs/dbraw/zinc/07/15/14/565071514.db2.gz MOOPABUATKWPSO-CYBMUJFWSA-N -1 3 393.281 3.178 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)s1 ZINC000113947505 565071697 /nfs/dbraw/zinc/07/16/97/565071697.db2.gz VJUJGWWYKHYCEB-UHFFFAOYSA-N -1 3 378.519 3.132 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)cs1 ZINC000155844881 565072053 /nfs/dbraw/zinc/07/20/53/565072053.db2.gz SCGLXBNUNIUGPD-UHFFFAOYSA-N -1 3 393.303 3.128 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(C(F)(F)F)ccc1F ZINC000155850387 565072320 /nfs/dbraw/zinc/07/23/20/565072320.db2.gz NRVDNMOKIMMPDA-GDLCADMTSA-N -1 3 379.375 3.080 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000114182609 565072667 /nfs/dbraw/zinc/07/26/67/565072667.db2.gz VLFGOJVDRHOQCJ-NHYWBVRUSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000114225285 565072918 /nfs/dbraw/zinc/07/29/18/565072918.db2.gz WHMZPPJNHGUAQD-MEDUHNTESA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000114225278 565072962 /nfs/dbraw/zinc/07/29/62/565072962.db2.gz WHMZPPJNHGUAQD-BZNIZROVSA-N -1 3 381.523 3.021 20 0 GGADHM CCCOc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@@H](C)CC)cc1Cl ZINC000114243472 565073174 /nfs/dbraw/zinc/07/31/74/565073174.db2.gz VQPOCMNQAXPPHC-XHDPSFHLSA-N -1 3 376.906 3.031 20 0 GGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)[C@@H]2CCc3c2cccc3Cl)[n-]1 ZINC000155974104 565073515 /nfs/dbraw/zinc/07/35/15/565073515.db2.gz WIRIMLSGSLJAHK-LLVKDONJSA-N -1 3 392.786 3.457 20 0 GGADHM CC(C)(C)c1ccc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000155981243 565073542 /nfs/dbraw/zinc/07/35/42/565073542.db2.gz HYSVHPNDKLUCOY-UHFFFAOYSA-N -1 3 381.523 3.146 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000156010987 565073736 /nfs/dbraw/zinc/07/37/36/565073736.db2.gz RYGAJBMPODFZPN-UHFFFAOYSA-N -1 3 391.262 3.180 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000114390870 565074163 /nfs/dbraw/zinc/07/41/63/565074163.db2.gz LAMVFCOMSSKRCA-CQSZACIVSA-N -1 3 399.244 3.414 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(N2CCNC2=O)ccc1F ZINC000156070428 565074522 /nfs/dbraw/zinc/07/45/22/565074522.db2.gz YRJMLFVILBRSKX-UHFFFAOYSA-N -1 3 394.200 3.076 20 0 GGADHM O=C(CCN1C(=O)CCc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000156070572 565074563 /nfs/dbraw/zinc/07/45/63/565074563.db2.gz UTUUCTWRVYZMPE-UHFFFAOYSA-N -1 3 389.249 3.463 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CCOCC1 ZINC000156072082 565074583 /nfs/dbraw/zinc/07/45/83/565074583.db2.gz PQLWNDPHDFFBHK-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)cc1OC ZINC000114496798 565074650 /nfs/dbraw/zinc/07/46/50/565074650.db2.gz ZRBZBUBGBQPRHH-SECBINFHSA-N -1 3 375.368 3.161 20 0 GGADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2F)cc1OC ZINC000114496972 565074764 /nfs/dbraw/zinc/07/47/64/565074764.db2.gz JSBWMPVIEUPYLP-SECBINFHSA-N -1 3 375.368 3.161 20 0 GGADHM O=c1nc(Cc2nccn2CC(F)(F)F)[n-]c2sc3c(c21)CCCS3 ZINC000114559233 565075035 /nfs/dbraw/zinc/07/50/35/565075035.db2.gz NRPZBCRTMLVHAN-UHFFFAOYSA-N -1 3 386.424 3.373 20 0 GGADHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)on1 ZINC000114499192 565075038 /nfs/dbraw/zinc/07/50/38/565075038.db2.gz IORHKLVHEXVDAU-UHFFFAOYSA-N -1 3 378.372 3.316 20 0 GGADHM CC[C@H](CSc1ccccc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000156287323 565078562 /nfs/dbraw/zinc/07/85/62/565078562.db2.gz ZLNHAZCIIIOVGG-UONOGXRCSA-N -1 3 398.575 3.102 20 0 GGADHM COC[C@H]1CCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000183615187 565082213 /nfs/dbraw/zinc/08/22/13/565082213.db2.gz WJEBDLWVFIVVEA-GFUIURDCSA-N -1 3 384.270 3.062 20 0 GGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccccc1Cl ZINC000156372817 565082973 /nfs/dbraw/zinc/08/29/73/565082973.db2.gz PGFUEOAHSIUEAD-UHFFFAOYSA-N -1 3 376.821 3.476 20 0 GGADHM CCOC[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000183620379 565083905 /nfs/dbraw/zinc/08/39/05/565083905.db2.gz XUMBLAMAISKSIB-PSKZRQQASA-N -1 3 398.297 3.452 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1ccc2c(c1)CCO2 ZINC000156380081 565084362 /nfs/dbraw/zinc/08/43/62/565084362.db2.gz BEQFQNZLALPJKQ-UHFFFAOYSA-N -1 3 390.205 3.463 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)o1 ZINC000291901640 565085245 /nfs/dbraw/zinc/08/52/45/565085245.db2.gz JBNZXPUZHUAVRC-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)c1C ZINC000266560303 565085582 /nfs/dbraw/zinc/08/55/82/565085582.db2.gz JKZUARKELMQWOP-UHFFFAOYSA-N -1 3 394.241 3.361 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156401024 565085840 /nfs/dbraw/zinc/08/58/40/565085840.db2.gz YXDCSMCMEGTIFI-LLVKDONJSA-N -1 3 389.290 3.226 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156400902 565085868 /nfs/dbraw/zinc/08/58/68/565085868.db2.gz YXDCSMCMEGTIFI-NSHDSACASA-N -1 3 389.290 3.226 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)C ZINC000156484099 565089725 /nfs/dbraw/zinc/08/97/25/565089725.db2.gz ZSRNQLYLYOXTKG-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000156494625 565090802 /nfs/dbraw/zinc/09/08/02/565090802.db2.gz GZGFFTFDFZGPCB-UHFFFAOYSA-N -1 3 397.371 3.171 20 0 GGADHM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156520671 565091922 /nfs/dbraw/zinc/09/19/22/565091922.db2.gz UKMBHJUJVFKIRB-SGTLLEGYSA-N -1 3 378.266 3.326 20 0 GGADHM COc1ccccc1OCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000156516633 565092034 /nfs/dbraw/zinc/09/20/34/565092034.db2.gz WPBUNALTYLODON-UHFFFAOYSA-N -1 3 380.238 3.249 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000183748833 565092229 /nfs/dbraw/zinc/09/22/29/565092229.db2.gz OGIQUUYAXBWCPZ-VIFPVBQESA-N -1 3 398.294 3.079 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000266985328 565100299 /nfs/dbraw/zinc/10/02/99/565100299.db2.gz AUSDEBOFYJGGFG-UHFFFAOYSA-N -1 3 376.194 3.079 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1cc(Br)ccc1Cl ZINC000156667723 565100754 /nfs/dbraw/zinc/10/07/54/565100754.db2.gz WWHVOVHXXFBQCK-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000156681497 565101069 /nfs/dbraw/zinc/10/10/69/565101069.db2.gz BPZFEEBKBWQCEW-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)CO2 ZINC000156754152 565103626 /nfs/dbraw/zinc/10/36/26/565103626.db2.gz OKILAPSIJSMJOQ-CYBMUJFWSA-N -1 3 386.242 3.309 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)c(CN(C)C)c1 ZINC000267083656 565103846 /nfs/dbraw/zinc/10/38/46/565103846.db2.gz QMXTXJVVQKCCGW-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000267050118 565104010 /nfs/dbraw/zinc/10/40/10/565104010.db2.gz VQYIUUJSFFGRRV-LLVKDONJSA-N -1 3 393.519 3.285 20 0 GGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)CO2 ZINC000156754297 565104168 /nfs/dbraw/zinc/10/41/68/565104168.db2.gz OKILAPSIJSMJOQ-ZDUSSCGKSA-N -1 3 386.242 3.309 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)Nc1cccc(F)c1 ZINC000156756796 565104904 /nfs/dbraw/zinc/10/49/04/565104904.db2.gz SZYSLTLAXJTTKW-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2CCSCC2)CC1 ZINC000267175755 565108400 /nfs/dbraw/zinc/10/84/00/565108400.db2.gz MXAVEKJSVNCDCI-UHFFFAOYSA-N -1 3 382.913 3.366 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1OC ZINC000156880184 565109398 /nfs/dbraw/zinc/10/93/98/565109398.db2.gz HIPGKRPRRUSTFV-UHFFFAOYSA-N -1 3 376.425 3.221 20 0 GGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000183994423 565109836 /nfs/dbraw/zinc/10/98/36/565109836.db2.gz WXEWWBKASFEWMK-UHFFFAOYSA-N -1 3 393.770 3.477 20 0 GGADHM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2cccc([O-])c2)c(Br)c1 ZINC000183994378 565109957 /nfs/dbraw/zinc/10/99/57/565109957.db2.gz AYBTXYUGALMRDW-LLVKDONJSA-N -1 3 398.278 3.264 20 0 GGADHM Cc1nc2cc(Br)cc([N-]C(=O)c3ncn(C(C)(C)C)n3)c2o1 ZINC000292315149 565110066 /nfs/dbraw/zinc/11/00/66/565110066.db2.gz NOOMHJWPVRXYCT-UHFFFAOYSA-N -1 3 378.230 3.498 20 0 GGADHM CC(C)c1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])s1 ZINC000184083737 565113467 /nfs/dbraw/zinc/11/34/67/565113467.db2.gz DYFABTKWQWISOH-UHFFFAOYSA-N -1 3 380.491 3.369 20 0 GGADHM COc1cc(C(=O)N2CCc3ccc(Br)cc32)cc(OC)c1[O-] ZINC000156947904 565113501 /nfs/dbraw/zinc/11/35/01/565113501.db2.gz VAHWVEOTIHNTQT-UHFFFAOYSA-N -1 3 378.222 3.375 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000292403698 565113731 /nfs/dbraw/zinc/11/37/31/565113731.db2.gz TVKRSUINCRYYAL-LBPRGKRZSA-N -1 3 392.543 3.119 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc(Br)c1[O-] ZINC000156991083 565114476 /nfs/dbraw/zinc/11/44/76/565114476.db2.gz ZYIITAUSKQRYLP-XNYZWWGWSA-N -1 3 396.281 3.250 20 0 GGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000292475882 565117814 /nfs/dbraw/zinc/11/78/14/565117814.db2.gz ZCYZFKCMYUPILY-UHFFFAOYSA-N -1 3 392.424 3.301 20 0 GGADHM CCN(C(=O)CSc1n[n-]c(=S)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184186367 565118548 /nfs/dbraw/zinc/11/85/48/565118548.db2.gz IIUVJMXBJLYWEU-AWEZNQCLSA-N -1 3 394.591 3.042 20 0 GGADHM Cc1ccccc1-c1csc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)n1 ZINC000157077347 565118981 /nfs/dbraw/zinc/11/89/81/565118981.db2.gz FWLHUPMHHWPNFH-CQSZACIVSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)cc1F ZINC000184191314 565119285 /nfs/dbraw/zinc/11/92/85/565119285.db2.gz SVBYCYJEMHKIFN-UHFFFAOYSA-N -1 3 377.466 3.272 20 0 GGADHM O=S(=O)(Cc1ccon1)[N-]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000267511281 565121203 /nfs/dbraw/zinc/12/12/03/565121203.db2.gz JXXZVTHDOQBMSP-UHFFFAOYSA-N -1 3 385.656 3.133 20 0 GGADHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000267575897 565121855 /nfs/dbraw/zinc/12/18/55/565121855.db2.gz XZWRLTASWPICRY-NSHDSACASA-N -1 3 375.281 3.015 20 0 GGADHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000267575893 565122322 /nfs/dbraw/zinc/12/23/22/565122322.db2.gz XZWRLTASWPICRY-LLVKDONJSA-N -1 3 375.281 3.015 20 0 GGADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)s1 ZINC000267552142 565122375 /nfs/dbraw/zinc/12/23/75/565122375.db2.gz DNHVJIRGMDYVAQ-SNVBAGLBSA-N -1 3 376.887 3.092 20 0 GGADHM Cc1noc(C)c1[N-]C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000267547624 565122577 /nfs/dbraw/zinc/12/25/77/565122577.db2.gz RCUKQKHDYLUNKF-UHFFFAOYSA-N -1 3 385.873 3.274 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cs1 ZINC000267590484 565123630 /nfs/dbraw/zinc/12/36/30/565123630.db2.gz AJUBJNARGXLOKI-VIFPVBQESA-N -1 3 380.413 3.348 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CCO)c3ccco3)s2)cs1 ZINC000184285969 565125079 /nfs/dbraw/zinc/12/50/79/565125079.db2.gz FZOPGASRBYUPJM-NSHDSACASA-N -1 3 384.504 3.175 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(Br)c(Cl)c1 ZINC000184286001 565125357 /nfs/dbraw/zinc/12/53/57/565125357.db2.gz ZOVFVXBRCTYOPD-GFCCVEGCSA-N -1 3 394.674 3.098 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1Cl ZINC000184278439 565125629 /nfs/dbraw/zinc/12/56/29/565125629.db2.gz NTUVRENLABYKQH-NSHDSACASA-N -1 3 383.775 3.354 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)cs1 ZINC000184307541 565126216 /nfs/dbraw/zinc/12/62/16/565126216.db2.gz BRUUDSNYRQJLOV-UHFFFAOYSA-N -1 3 393.303 3.128 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cccc(OC(F)(F)F)c1F ZINC000292664511 565127250 /nfs/dbraw/zinc/12/72/50/565127250.db2.gz QVAXIOAPEVUOBC-JTQLQIEISA-N -1 3 383.363 3.104 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000157326905 565127714 /nfs/dbraw/zinc/12/77/14/565127714.db2.gz QJCVIQFFYKBSND-SECBINFHSA-N -1 3 388.536 3.328 20 0 GGADHM Cc1cc(CNCc2cc([O-])ccc2Br)nc(N2CCCC2)n1 ZINC000292697920 565129153 /nfs/dbraw/zinc/12/91/53/565129153.db2.gz CCFFDQIRVVWIAF-UHFFFAOYSA-N -1 3 377.286 3.143 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1cc(Cl)cc(Cl)c1 ZINC000157397542 565131618 /nfs/dbraw/zinc/13/16/18/565131618.db2.gz AHYXRBYUHKBILT-LBPRGKRZSA-N -1 3 390.267 3.085 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(F)c(Cl)c2F)ccc1F ZINC000184426877 565134720 /nfs/dbraw/zinc/13/47/20/565134720.db2.gz DVWVMDPTBGOFSJ-UHFFFAOYSA-N -1 3 378.759 3.381 20 0 GGADHM O=S(=O)([N-]c1cc(F)ccc1F)c1cccc(I)c1 ZINC000157992511 565153315 /nfs/dbraw/zinc/15/33/15/565153315.db2.gz HRDIPCXORDRSHJ-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000157541552 565136343 /nfs/dbraw/zinc/13/63/43/565136343.db2.gz RLRLUTDLUHKBCL-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM O=S(=O)([N-]Nc1c(Cl)cc(Cl)cc1Cl)c1cn2c(n1)CCCC2 ZINC000370366254 565139371 /nfs/dbraw/zinc/13/93/71/565139371.db2.gz OYECPMYLGUXZSC-UHFFFAOYSA-N -1 3 395.699 3.485 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(Br)s3)[n-]c21 ZINC000157808684 565144496 /nfs/dbraw/zinc/14/44/96/565144496.db2.gz RIIFNWKCPQHAOT-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)s3)nc21 ZINC000157808684 565144501 /nfs/dbraw/zinc/14/45/01/565144501.db2.gz RIIFNWKCPQHAOT-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM CC(C)(C)n1cc(Br)c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)n1 ZINC000615136386 565148288 /nfs/dbraw/zinc/14/82/88/565148288.db2.gz TWMNANFAKNQUBG-UHFFFAOYSA-N -1 3 378.230 3.235 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2sc(CC(C)C)nc2C)s1 ZINC000157912084 565149194 /nfs/dbraw/zinc/14/91/94/565149194.db2.gz WROLCDGZUYNHEW-UHFFFAOYSA-N -1 3 382.511 3.250 20 0 GGADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(C(C)(C)c2cccc(C(F)(F)F)c2)no1 ZINC000293175035 565155025 /nfs/dbraw/zinc/15/50/25/565155025.db2.gz NCWKLIJVZVCAQB-SECBINFHSA-N -1 3 377.388 3.025 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1F)c1cccc(I)c1 ZINC000158097547 565155510 /nfs/dbraw/zinc/15/55/10/565155510.db2.gz GESMIGFKQKRBGI-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1 ZINC000293218194 565157248 /nfs/dbraw/zinc/15/72/48/565157248.db2.gz VJCNZWHXZFEDRE-HNNXBMFYSA-N -1 3 389.304 3.427 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)cs1 ZINC000268557586 565157856 /nfs/dbraw/zinc/15/78/56/565157856.db2.gz NZZWVCKQAOSLCU-SNVBAGLBSA-N -1 3 388.898 3.185 20 0 GGADHM Cc1nsc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000293235893 565158141 /nfs/dbraw/zinc/15/81/41/565158141.db2.gz YIJCCISDTXSOAL-UHFFFAOYSA-N -1 3 393.412 3.403 20 0 GGADHM Cc1c(Br)scc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000184974704 565168899 /nfs/dbraw/zinc/16/88/99/565168899.db2.gz OCAYMKFZHZIGKZ-UHFFFAOYSA-N -1 3 397.294 3.075 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCc4c[nH]nc43)s2)cs1 ZINC000268819098 565169051 /nfs/dbraw/zinc/16/90/51/565169051.db2.gz WXZUNVRIBGFSFS-LLVKDONJSA-N -1 3 380.520 3.259 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCc4c[nH]nc43)s2)cs1 ZINC000268819099 565169787 /nfs/dbraw/zinc/16/97/87/565169787.db2.gz WXZUNVRIBGFSFS-NSHDSACASA-N -1 3 380.520 3.259 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCc4c3cnn4C)s2)cs1 ZINC000268905254 565171674 /nfs/dbraw/zinc/17/16/74/565171674.db2.gz XPXBSKRPALZPAB-LBPRGKRZSA-N -1 3 394.547 3.269 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000185007097 565171967 /nfs/dbraw/zinc/17/19/67/565171967.db2.gz DFYCAWBQMMFFNY-UHFFFAOYSA-N -1 3 382.295 3.055 20 0 GGADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1Br ZINC000158509772 565172282 /nfs/dbraw/zinc/17/22/82/565172282.db2.gz UMJOUXNREHSNEF-UHFFFAOYSA-N -1 3 383.217 3.302 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c(Cl)c1Cl ZINC000268938444 565172501 /nfs/dbraw/zinc/17/25/01/565172501.db2.gz AOWFREQUKUCYBM-JTQLQIEISA-N -1 3 380.293 3.382 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)s1 ZINC000268953940 565173306 /nfs/dbraw/zinc/17/33/06/565173306.db2.gz GFWQTCAOFZMICN-SNVBAGLBSA-N -1 3 380.329 3.199 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)no1 ZINC000293546734 565173579 /nfs/dbraw/zinc/17/35/79/565173579.db2.gz QVBWIVHGDZKIMH-UHFFFAOYSA-N -1 3 380.857 3.102 20 0 GGADHM COc1ccc([C@@H](CCO)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000158561657 565174009 /nfs/dbraw/zinc/17/40/09/565174009.db2.gz DUZDWRDOMRHCEN-OAHLLOKOSA-N -1 3 390.288 3.404 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000269011978 565174990 /nfs/dbraw/zinc/17/49/90/565174990.db2.gz VLZMRVSOCFLVML-JTQLQIEISA-N -1 3 380.293 3.382 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000269011981 565175432 /nfs/dbraw/zinc/17/54/32/565175432.db2.gz VLZMRVSOCFLVML-SNVBAGLBSA-N -1 3 380.293 3.382 20 0 GGADHM CCCc1nnc(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)o1 ZINC000269037939 565176793 /nfs/dbraw/zinc/17/67/93/565176793.db2.gz ZNQHJQIKGDTBDW-UHFFFAOYSA-N -1 3 380.451 3.120 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000158763052 565180900 /nfs/dbraw/zinc/18/09/00/565180900.db2.gz HNRBDUJJEBBXDW-DZGCQCFKSA-N -1 3 383.828 3.100 20 0 GGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000158838462 565184748 /nfs/dbraw/zinc/18/47/48/565184748.db2.gz WFNXIUHTPKOOST-VXGBXAGGSA-N -1 3 378.416 3.292 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1sc(C)nc1C)OC(C)C ZINC000185188268 565185878 /nfs/dbraw/zinc/18/58/78/565185878.db2.gz HLHSNULRJGLNEM-INIZCTEOSA-N -1 3 384.523 3.213 20 0 GGADHM CC(F)(F)C(=O)[N-]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293849652 565187110 /nfs/dbraw/zinc/18/71/10/565187110.db2.gz HMUUKWCTECYHFN-UHFFFAOYSA-N -1 3 380.204 3.451 20 0 GGADHM CC(C)C1(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000293887269 565189936 /nfs/dbraw/zinc/18/99/36/565189936.db2.gz JBZKUGBKYIICDH-UHFFFAOYSA-N -1 3 396.228 3.463 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000185268502 565191675 /nfs/dbraw/zinc/19/16/75/565191675.db2.gz GZFPAVQQXTXBTP-HNNXBMFYSA-N -1 3 396.260 3.220 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccc(Br)cc1F ZINC000185265997 565191868 /nfs/dbraw/zinc/19/18/68/565191868.db2.gz AMTORAVBPDSCAA-GFCCVEGCSA-N -1 3 392.290 3.358 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185283762 565193429 /nfs/dbraw/zinc/19/34/29/565193429.db2.gz CIHVDWMTCUVCMG-UHFFFAOYSA-N -1 3 398.937 3.086 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000185373501 565198399 /nfs/dbraw/zinc/19/83/99/565198399.db2.gz IWGZMDPQDFUNCS-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)o1 ZINC000269756747 565198994 /nfs/dbraw/zinc/19/89/94/565198994.db2.gz IRLOXIQHQHNXHU-GFCCVEGCSA-N -1 3 384.504 3.093 20 0 GGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2nc(Br)cs2)n1 ZINC000294129060 565199404 /nfs/dbraw/zinc/19/94/04/565199404.db2.gz SQNQATIDGMCZIN-UHFFFAOYSA-N -1 3 390.284 3.065 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000269821604 565201258 /nfs/dbraw/zinc/20/12/58/565201258.db2.gz VPTRQFLYPNKKFU-UHFFFAOYSA-N -1 3 377.319 3.054 20 0 GGADHM CS[C@@H](C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000269891774 565202482 /nfs/dbraw/zinc/20/24/82/565202482.db2.gz LIPNDSKIPYYQFD-NSHDSACASA-N -1 3 385.917 3.157 20 0 GGADHM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000159341664 565202734 /nfs/dbraw/zinc/20/27/34/565202734.db2.gz QVFPEDAIMJARKK-GFCCVEGCSA-N -1 3 389.308 3.002 20 0 GGADHM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000159341785 565203194 /nfs/dbraw/zinc/20/31/94/565203194.db2.gz QVFPEDAIMJARKK-LBPRGKRZSA-N -1 3 389.308 3.002 20 0 GGADHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3nnc(C(C)C)s3)nc21 ZINC000294366148 565209674 /nfs/dbraw/zinc/20/96/74/565209674.db2.gz YFSASUWDISWARH-VIFPVBQESA-N -1 3 380.495 3.353 20 0 GGADHM [O-]c1cc(F)cc(CNCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000185584253 565210078 /nfs/dbraw/zinc/21/00/78/565210078.db2.gz FGJCQJXDNXHEQC-UHFFFAOYSA-N -1 3 395.272 3.420 20 0 GGADHM Cc1cc(Cl)cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c1 ZINC000159644024 565213756 /nfs/dbraw/zinc/21/37/56/565213756.db2.gz RGRZQRGNGCGBIG-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)c1[O-] ZINC000270400739 565216591 /nfs/dbraw/zinc/21/65/91/565216591.db2.gz VVHNVXDLYXDPDK-IPYPFGDCSA-N -1 3 383.901 3.018 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)c1[O-] ZINC000270400741 565216985 /nfs/dbraw/zinc/21/69/85/565216985.db2.gz VVHNVXDLYXDPDK-VNHYZAJKSA-N -1 3 383.901 3.018 20 0 GGADHM O=c1nc(Cc2cccc(Cl)c2F)[n-]c2sc3c(c21)CCS(=O)(=O)C3 ZINC000270495780 565220639 /nfs/dbraw/zinc/22/06/39/565220639.db2.gz LOLKSGBHSIFBBJ-UHFFFAOYSA-N -1 3 398.868 3.251 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)s1 ZINC000270560319 565222424 /nfs/dbraw/zinc/22/24/24/565222424.db2.gz JLFSAXCYIWEHCD-QMMMGPOBSA-N -1 3 393.332 3.100 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000270560319 565222427 /nfs/dbraw/zinc/22/24/27/565222427.db2.gz JLFSAXCYIWEHCD-QMMMGPOBSA-N -1 3 393.332 3.100 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000185822104 565223579 /nfs/dbraw/zinc/22/35/79/565223579.db2.gz LFYLEDJTBMSCPS-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)Oc1ccc(Cl)cc1 ZINC000185860731 565224664 /nfs/dbraw/zinc/22/46/64/565224664.db2.gz ACORWSSKVFTVOE-GFCCVEGCSA-N -1 3 380.853 3.368 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccc(Br)cc1F ZINC000185853237 565224705 /nfs/dbraw/zinc/22/47/05/565224705.db2.gz LJHUNIONZQMWKH-LBPRGKRZSA-N -1 3 380.279 3.216 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)Oc1ccccc1Cl ZINC000185852143 565225044 /nfs/dbraw/zinc/22/50/44/565225044.db2.gz BSGRTCCZHPYBAN-LBPRGKRZSA-N -1 3 380.853 3.368 20 0 GGADHM Cc1nnc(C[N-]C(=O)C(F)(F)c2ccccc2Br)n1C1CC1 ZINC000294925967 565236882 /nfs/dbraw/zinc/23/68/82/565236882.db2.gz ITRVXLLYYBTGRN-UHFFFAOYSA-N -1 3 385.212 3.092 20 0 GGADHM Cc1nc([C@@H]([N-]S(=O)(=O)CC2CC(F)(F)C2)c2ccc(Cl)cc2)no1 ZINC000295070679 565243414 /nfs/dbraw/zinc/24/34/14/565243414.db2.gz CMAMJRZNYULBMV-ZDUSSCGKSA-N -1 3 391.827 3.086 20 0 GGADHM O=C(c1ccc(Br)cc1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186200988 565246220 /nfs/dbraw/zinc/24/62/20/565246220.db2.gz ZUCNMQOMZFUKMP-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)no1 ZINC000186214267 565247345 /nfs/dbraw/zinc/24/73/45/565247345.db2.gz FOFRGOPJJJFCSP-UHFFFAOYSA-N -1 3 390.864 3.402 20 0 GGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C[C@H]1C ZINC000271300897 565247349 /nfs/dbraw/zinc/24/73/49/565247349.db2.gz BYQUISVMAWTMBB-AOOOYVTPSA-N -1 3 396.228 3.273 20 0 GGADHM O=C([N-]c1nc2ccc(I)cc2s1)c1cnns1 ZINC000186238901 565248524 /nfs/dbraw/zinc/24/85/24/565248524.db2.gz PBMHHXGEIWOELV-UHFFFAOYSA-N -1 3 388.215 3.005 20 0 GGADHM CC1(C)C[C@@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271334233 565248735 /nfs/dbraw/zinc/24/87/35/565248735.db2.gz SDGGKPZVHCBNHG-LBPRGKRZSA-N -1 3 382.201 3.073 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000271374945 565250535 /nfs/dbraw/zinc/25/05/35/565250535.db2.gz OXPDWBLJBMPEHN-ZDUSSCGKSA-N -1 3 389.543 3.062 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186271913 565251187 /nfs/dbraw/zinc/25/11/87/565251187.db2.gz QADMQXCMLXCCPI-CQSZACIVSA-N -1 3 375.416 3.164 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCCC1 ZINC000186270215 565251242 /nfs/dbraw/zinc/25/12/42/565251242.db2.gz FIYOVDMYIAGDDA-UHFFFAOYSA-N -1 3 392.880 3.065 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000186281227 565252303 /nfs/dbraw/zinc/25/23/03/565252303.db2.gz IGIAMECNMYIYLC-LLVKDONJSA-N -1 3 393.408 3.159 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000295256159 565255659 /nfs/dbraw/zinc/25/56/59/565255659.db2.gz XLTNLTYWIHFNOO-GFCCVEGCSA-N -1 3 396.412 3.051 20 0 GGADHM O=S(=O)(CCCCF)[N-]c1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000295261527 565255867 /nfs/dbraw/zinc/25/58/67/565255867.db2.gz YEBBQAFKRDWKSD-UHFFFAOYSA-N -1 3 377.503 3.284 20 0 GGADHM C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)c2c([O-])cccc21 ZINC000186392466 565259788 /nfs/dbraw/zinc/25/97/88/565259788.db2.gz OVZILJILIAIWOC-JTQLQIEISA-N -1 3 393.237 3.018 20 0 GGADHM O=S(=O)([N-]Cc1ccsc1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186421537 565260981 /nfs/dbraw/zinc/26/09/81/565260981.db2.gz GGQNSMBWKQAWLK-CYBMUJFWSA-N -1 3 387.910 3.295 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000186466190 565261880 /nfs/dbraw/zinc/26/18/80/565261880.db2.gz KXZNPKQWRDKGEN-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2c(cccc2Br)[nH]1 ZINC000160899128 565263957 /nfs/dbraw/zinc/26/39/57/565263957.db2.gz QSPNWOHUUFAYMR-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2c(cccc2Br)[nH]1 ZINC000160899128 565263962 /nfs/dbraw/zinc/26/39/62/565263962.db2.gz QSPNWOHUUFAYMR-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2c(cccc2Br)[nH]1 ZINC000160899128 565263965 /nfs/dbraw/zinc/26/39/65/565263965.db2.gz QSPNWOHUUFAYMR-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 ZINC000295441079 565265494 /nfs/dbraw/zinc/26/54/94/565265494.db2.gz YJUATCBFTSXNLB-UHFFFAOYSA-N -1 3 382.795 3.079 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000271738798 565266483 /nfs/dbraw/zinc/26/64/83/565266483.db2.gz WTMKGSBNIVALKG-DGCLKSJQSA-N -1 3 380.279 3.070 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2cccs2)n1)C1CCC(C(F)(F)F)CC1 ZINC000295469850 565268145 /nfs/dbraw/zinc/26/81/45/565268145.db2.gz QRZAVKCYAPSASQ-UHFFFAOYSA-N -1 3 395.428 3.339 20 0 GGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc(Br)cc1 ZINC000373086696 565269261 /nfs/dbraw/zinc/26/92/61/565269261.db2.gz DNEONPKZSJZRGA-UHFFFAOYSA-N -1 3 379.239 3.035 20 0 GGADHM O=C(NOC1CCCC1)c1c[n-]c2ccc(I)cc2c1=O ZINC000271846087 565269625 /nfs/dbraw/zinc/26/96/25/565269625.db2.gz VNLBDAHUSLBPML-UHFFFAOYSA-N -1 3 398.200 3.149 20 0 GGADHM CN1C(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2C1=O ZINC000186626555 565273134 /nfs/dbraw/zinc/27/31/34/565273134.db2.gz DCDQYYNTUJXMKZ-UHFFFAOYSA-N -1 3 399.255 3.161 20 0 GGADHM COc1cccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1[O-] ZINC000186663523 565275623 /nfs/dbraw/zinc/27/56/23/565275623.db2.gz XFGGYYXIPQWEJU-GOEBONIOSA-N -1 3 382.243 3.438 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1[C@H](C)O ZINC000272055691 565276116 /nfs/dbraw/zinc/27/61/16/565276116.db2.gz BFBBWKITONWGAX-JTQLQIEISA-N -1 3 375.277 3.229 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)c1nccs1 ZINC000186689415 565278277 /nfs/dbraw/zinc/27/82/77/565278277.db2.gz HQAMDCDTUZTABQ-QMMMGPOBSA-N -1 3 379.276 3.127 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000186777604 565285013 /nfs/dbraw/zinc/28/50/13/565285013.db2.gz FKWMRAXCDTZBOH-QMMMGPOBSA-N -1 3 391.276 3.294 20 0 GGADHM O=C(CSC(F)F)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000295775408 565285789 /nfs/dbraw/zinc/28/57/89/565285789.db2.gz IVTUNBZAIWRCMI-UHFFFAOYSA-N -1 3 378.828 3.179 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cccc(Br)n2)CC1 ZINC000272457713 565287472 /nfs/dbraw/zinc/28/74/72/565287472.db2.gz XLYWVBUVWRKAGN-UHFFFAOYSA-N -1 3 390.281 3.400 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccco1 ZINC000272445585 565287543 /nfs/dbraw/zinc/28/75/43/565287543.db2.gz RWYNLXJRFCOMOD-AWEZNQCLSA-N -1 3 377.384 3.496 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)CCCC1 ZINC000295866265 565290423 /nfs/dbraw/zinc/29/04/23/565290423.db2.gz YHYRWWAKEWTXLN-UHFFFAOYSA-N -1 3 388.917 3.052 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000295865628 565290533 /nfs/dbraw/zinc/29/05/33/565290533.db2.gz FIANFOCVQNHAFG-UHFFFAOYSA-N -1 3 392.706 3.045 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2nnc(C(C)C)s2)[n-]c1Cc1ccccc1 ZINC000295885586 565292069 /nfs/dbraw/zinc/29/20/69/565292069.db2.gz KNVKWQCBFXUKGJ-UHFFFAOYSA-N -1 3 376.507 3.258 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2nnc(C(C)C)s2)nc1Cc1ccccc1 ZINC000295885586 565292075 /nfs/dbraw/zinc/29/20/75/565292075.db2.gz KNVKWQCBFXUKGJ-UHFFFAOYSA-N -1 3 376.507 3.258 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3c(C)ccnc3Cl)cc2C[C@H]1C ZINC000295902224 565292753 /nfs/dbraw/zinc/29/27/53/565292753.db2.gz IJHBGXBPTWDJFR-LLVKDONJSA-N -1 3 379.869 3.142 20 0 GGADHM CCC(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186905340 565294341 /nfs/dbraw/zinc/29/43/41/565294341.db2.gz KXWHSVFQTFHLGQ-AWEZNQCLSA-N -1 3 375.918 3.470 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)cnc1Br)c1ccccc1 ZINC000295948828 565294761 /nfs/dbraw/zinc/29/47/61/565294761.db2.gz LQENCMVNHUKSBH-CQSZACIVSA-N -1 3 385.283 3.282 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c(Br)c1 ZINC000186911784 565295460 /nfs/dbraw/zinc/29/54/60/565295460.db2.gz ASMBBSYJMZQUAF-UHFFFAOYSA-N -1 3 398.204 3.317 20 0 GGADHM O=C(c1ccc([N-]S(=O)(=O)CCCCF)cc1Cl)N1CCCCC1 ZINC000296081070 565301554 /nfs/dbraw/zinc/30/15/54/565301554.db2.gz WAAZIHZZCVPLFR-UHFFFAOYSA-N -1 3 376.881 3.458 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1cccnc1 ZINC000162010557 565301635 /nfs/dbraw/zinc/30/16/35/565301635.db2.gz BEXSTHNBERPLRH-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)c1ccccc1 ZINC000296128064 565303435 /nfs/dbraw/zinc/30/34/35/565303435.db2.gz FWXDOKFMVJRNQZ-AWEZNQCLSA-N -1 3 375.437 3.034 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C)c1ccccc1 ZINC000296128425 565303539 /nfs/dbraw/zinc/30/35/39/565303539.db2.gz YXIUNWIRGNOJDF-HOYKHHGWSA-N -1 3 381.519 3.003 20 0 GGADHM CCOC(=O)N1CCc2c(sc3[n-]c([C@H]4CSCCS4)nc(=O)c23)C1 ZINC000273019261 565304528 /nfs/dbraw/zinc/30/45/28/565304528.db2.gz WRUCKXOKQWTFCF-LLVKDONJSA-N -1 3 397.547 3.433 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000296134603 565304523 /nfs/dbraw/zinc/30/45/23/565304523.db2.gz GEMLZUIXEGAGPC-SECBINFHSA-N -1 3 391.827 3.416 20 0 GGADHM Cc1cnn(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c1 ZINC000187072030 565307186 /nfs/dbraw/zinc/30/71/86/565307186.db2.gz YOZHAWOETYCETA-UHFFFAOYSA-N -1 3 383.901 3.002 20 0 GGADHM COCc1nsc([N-]C(=O)c2c(C)nc(-c3ccco3)nc2SC)n1 ZINC000273089193 565307342 /nfs/dbraw/zinc/30/73/42/565307342.db2.gz MJSBARYAJOTWIK-UHFFFAOYSA-N -1 3 377.451 3.017 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(OC)cc1Br ZINC000187074123 565307536 /nfs/dbraw/zinc/30/75/36/565307536.db2.gz MKILLZGCGJRYBG-NSHDSACASA-N -1 3 390.299 3.101 20 0 GGADHM CC(C)(CO)ON=C([O-])Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000296251708 565308485 /nfs/dbraw/zinc/30/84/85/565308485.db2.gz BRBXUGVZQQUQIN-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000296251708 565308490 /nfs/dbraw/zinc/30/84/90/565308490.db2.gz BRBXUGVZQQUQIN-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(C2CC(F)(F)C2)no1 ZINC000296259115 565309169 /nfs/dbraw/zinc/30/91/69/565309169.db2.gz BQKKOURCRXGMFB-QMMMGPOBSA-N -1 3 377.800 3.275 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000162207566 565310281 /nfs/dbraw/zinc/31/02/81/565310281.db2.gz NFOANSGCLNYKDW-AWEZNQCLSA-N -1 3 398.575 3.104 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000162273275 565311534 /nfs/dbraw/zinc/31/15/34/565311534.db2.gz DLQBLYNKCIIIPP-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000296299326 565311477 /nfs/dbraw/zinc/31/14/77/565311477.db2.gz PGKSAONVKBMEFB-QMMMGPOBSA-N -1 3 385.458 3.150 20 0 GGADHM COc1cc(OC)c(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1Br ZINC000162288349 565311703 /nfs/dbraw/zinc/31/17/03/565311703.db2.gz QFHMKNHCQWHQPA-SECBINFHSA-N -1 3 384.230 3.202 20 0 GGADHM O=C(CCc1cc(Cl)ccc1Br)N1CCc2c(=O)[n-]cnc2C1 ZINC000273218575 565313175 /nfs/dbraw/zinc/31/31/75/565313175.db2.gz KVAYIKQFBCRWKS-UHFFFAOYSA-N -1 3 396.672 3.116 20 0 GGADHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187165160 565313715 /nfs/dbraw/zinc/31/37/15/565313715.db2.gz YZKWZFSXTKDIEK-QWHCGFSZSA-N -1 3 375.918 3.204 20 0 GGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273240054 565314556 /nfs/dbraw/zinc/31/45/56/565314556.db2.gz NWVULFSKZWLHLF-CYBMUJFWSA-N -1 3 390.281 3.098 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCC(=O)OC(C)C)s2)cs1 ZINC000162426747 565316460 /nfs/dbraw/zinc/31/64/60/565316460.db2.gz FBIJJIVDNLFUPL-UHFFFAOYSA-N -1 3 388.536 3.190 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cc(Br)ccc1Cl ZINC000162640283 565323714 /nfs/dbraw/zinc/32/37/14/565323714.db2.gz CAFYDBQXBBINPK-AAEUAGOBSA-N -1 3 394.718 3.338 20 0 GGADHM CCOc1cc(Br)c(NC([O-])=NOC(C)(C)CO)cc1OCC ZINC000296591267 565325229 /nfs/dbraw/zinc/32/52/29/565325229.db2.gz UNOUAGVCBOMJEA-UHFFFAOYSA-N -1 3 391.262 3.071 20 0 GGADHM CCOc1cc(Br)c(NC(=O)[N-]OC(C)(C)CO)cc1OCC ZINC000296591267 565325232 /nfs/dbraw/zinc/32/52/32/565325232.db2.gz UNOUAGVCBOMJEA-UHFFFAOYSA-N -1 3 391.262 3.071 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000162787658 565328241 /nfs/dbraw/zinc/32/82/41/565328241.db2.gz GVZYNKRLKCGCIN-GWCFXTLKSA-N -1 3 380.293 3.238 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C[C@@H](C)O1 ZINC000162887030 565330307 /nfs/dbraw/zinc/33/03/07/565330307.db2.gz POAYSLFMOWOXBH-RKDXNWHRSA-N -1 3 382.707 3.337 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@@H](C)O1 ZINC000162875166 565330577 /nfs/dbraw/zinc/33/05/77/565330577.db2.gz PWZUKCHHUNCBNZ-RKDXNWHRSA-N -1 3 382.707 3.337 20 0 GGADHM CC[C@H](CN(CC)C(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000187413199 565331033 /nfs/dbraw/zinc/33/10/33/565331033.db2.gz PMDCBARUOAECLF-OAHLLOKOSA-N -1 3 380.535 3.069 20 0 GGADHM CCCCNC(=O)C1CCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000273714114 565331934 /nfs/dbraw/zinc/33/19/34/565331934.db2.gz GTVLEJRNNLSQLJ-UHFFFAOYSA-N -1 3 399.329 3.292 20 0 GGADHM COC(=O)COc1ccc(CN(C)Cc2cc([O-])ccc2Br)cc1 ZINC000187431766 565332793 /nfs/dbraw/zinc/33/27/93/565332793.db2.gz GIHFZLKRDSGMGG-UHFFFAOYSA-N -1 3 394.265 3.339 20 0 GGADHM Cc1nc(CCCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cs1 ZINC000273755587 565334046 /nfs/dbraw/zinc/33/40/46/565334046.db2.gz PHYIFXBMUZABTF-UHFFFAOYSA-N -1 3 378.479 3.048 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)c(=O)[n-]1 ZINC000163034181 565335208 /nfs/dbraw/zinc/33/52/08/565335208.db2.gz JZMZPMWKOCLNTK-UHFFFAOYSA-N -1 3 377.857 3.063 20 0 GGADHM COc1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c(Br)c1[O-] ZINC000273777841 565335740 /nfs/dbraw/zinc/33/57/40/565335740.db2.gz SDVHGSWFQZUEOI-ZDUSSCGKSA-N -1 3 399.329 3.148 20 0 GGADHM COc1ccc(CN(CCC(N)=O)Cc2ccccc2)c(Br)c1[O-] ZINC000273791393 565336846 /nfs/dbraw/zinc/33/68/46/565336846.db2.gz VHFRAQDGBVDWDJ-UHFFFAOYSA-N -1 3 393.281 3.041 20 0 GGADHM COc1ccc([C@@H](CO)N(C)Cc2ccc(OC)c([O-])c2Br)cc1 ZINC000273791485 565336863 /nfs/dbraw/zinc/33/68/63/565336863.db2.gz VKEHNYNMTYSZMK-OAHLLOKOSA-N -1 3 396.281 3.337 20 0 GGADHM O=C(NCCCN1CCCCCC1=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187501989 565337083 /nfs/dbraw/zinc/33/70/83/565337083.db2.gz DCTSMMRUEQKQAR-UHFFFAOYSA-N -1 3 380.901 3.314 20 0 GGADHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187533887 565339345 /nfs/dbraw/zinc/33/93/45/565339345.db2.gz FFGJWUVQVQLDFU-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187542225 565339724 /nfs/dbraw/zinc/33/97/24/565339724.db2.gz UIRJRTWYGOQTGX-KGLIPLIRSA-N -1 3 375.918 3.468 20 0 GGADHM CN(CC1(O)CCCCCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000187617553 565345215 /nfs/dbraw/zinc/34/52/15/565345215.db2.gz ABBGNFMPWUAKAY-UHFFFAOYSA-N -1 3 385.302 3.381 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)n2C2CC2)s1 ZINC000163398584 565345331 /nfs/dbraw/zinc/34/53/31/565345331.db2.gz JKEWDUXQZLNCPC-UHFFFAOYSA-N -1 3 380.539 3.328 20 0 GGADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000296919153 565345439 /nfs/dbraw/zinc/34/54/39/565345439.db2.gz FQHFPCZLTRMBHX-GFCCVEGCSA-N -1 3 380.413 3.350 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@H]3CCCC34CCOCC4)cc21 ZINC000374603968 565347035 /nfs/dbraw/zinc/34/70/35/565347035.db2.gz TVOMPRPYYKGOHY-KRWDZBQOSA-N -1 3 383.897 3.097 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1 ZINC000163495825 565347572 /nfs/dbraw/zinc/34/75/72/565347572.db2.gz WBSOXFZKSUCUNR-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM COC1(c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CCCC1 ZINC000273956058 565348144 /nfs/dbraw/zinc/34/81/44/565348144.db2.gz PCFPDFDNGGRDTJ-NSHDSACASA-N -1 3 385.873 3.178 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCO3)no2)ccc1Cl ZINC000274063625 565353761 /nfs/dbraw/zinc/35/37/61/565353761.db2.gz FBHYMRPXBFKYJF-GFCCVEGCSA-N -1 3 385.873 3.318 20 0 GGADHM CCCN(C(=O)C(=O)[N-]c1ncnn1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000297113563 565356821 /nfs/dbraw/zinc/35/68/21/565356821.db2.gz WMCFCPJJROUHNG-JTQLQIEISA-N -1 3 384.267 3.060 20 0 GGADHM C[C@H]1CC[C@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000164502390 565359830 /nfs/dbraw/zinc/35/98/30/565359830.db2.gz QCBFSZRSQLFINS-RYUDHWBXSA-N -1 3 378.416 3.292 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000274198840 565360420 /nfs/dbraw/zinc/36/04/20/565360420.db2.gz NPKHCTONLKPTGW-LSDHHAIUSA-N -1 3 397.294 3.043 20 0 GGADHM CCc1cc2c([n-]c(-c3cc(Br)c(C)n(C)c3=O)nc2=O)s1 ZINC000274196224 565360530 /nfs/dbraw/zinc/36/05/30/565360530.db2.gz JMSGVOXKHRSROE-UHFFFAOYSA-N -1 3 380.267 3.396 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000274198833 565360610 /nfs/dbraw/zinc/36/06/10/565360610.db2.gz NPKHCTONLKPTGW-GJZGRUSLSA-N -1 3 397.294 3.043 20 0 GGADHM O=c1[n-]c(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)nc2ccsc21 ZINC000187886482 565361497 /nfs/dbraw/zinc/36/14/97/565361497.db2.gz UKDCQWPYCMRXGP-CQSZACIVSA-N -1 3 379.844 3.351 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000297213300 565362397 /nfs/dbraw/zinc/36/23/97/565362397.db2.gz HCXYEAAUZRBHGF-MRXNPFEDSA-N -1 3 395.297 3.255 20 0 GGADHM Cc1c2nc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)sc2ccc1F ZINC000164936592 565365883 /nfs/dbraw/zinc/36/58/83/565365883.db2.gz FHJZUHBKTHSYDL-UHFFFAOYSA-N -1 3 399.494 3.112 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c(Cl)c1Cl ZINC000375106270 565369335 /nfs/dbraw/zinc/36/93/35/565369335.db2.gz RAMGGZGLWKMMSS-UHFFFAOYSA-N -1 3 390.292 3.013 20 0 GGADHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccnc(C)c3Cl)ccc21 ZINC000165271825 565369695 /nfs/dbraw/zinc/36/96/95/565369695.db2.gz PVKASWBMHZBQLR-UHFFFAOYSA-N -1 3 379.869 3.143 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc([C@@H]4C[C@H]5CC[C@@H]4O5)n3)[n-]2)c1 ZINC000375178084 565372744 /nfs/dbraw/zinc/37/27/44/565372744.db2.gz BBZWQZVTRXXNRJ-UTUOFQBUSA-N -1 3 388.225 3.319 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@@H]4C[C@H]5CC[C@@H]4O5)n3)n2)c1 ZINC000375178084 565372748 /nfs/dbraw/zinc/37/27/48/565372748.db2.gz BBZWQZVTRXXNRJ-UTUOFQBUSA-N -1 3 388.225 3.319 20 0 GGADHM Brc1cccc(-c2nc(-c3noc([C@@H]4C[C@H]5CC[C@@H]4O5)n3)n[n-]2)c1 ZINC000375178084 565372751 /nfs/dbraw/zinc/37/27/51/565372751.db2.gz BBZWQZVTRXXNRJ-UTUOFQBUSA-N -1 3 388.225 3.319 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000274610629 565374767 /nfs/dbraw/zinc/37/47/67/565374767.db2.gz HRYKUOOVBBTYBW-ZDUSSCGKSA-N -1 3 384.885 3.190 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000375195092 565375081 /nfs/dbraw/zinc/37/50/81/565375081.db2.gz OCOBUXWTCWLAJW-MRVPVSSYSA-N -1 3 383.779 3.323 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1C(F)(F)F ZINC000167250920 565377260 /nfs/dbraw/zinc/37/72/60/565377260.db2.gz FUBUTGFLFJYCMI-GLQYFDAESA-N -1 3 375.412 3.331 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@](C)(C(N)=O)c2cccc(Cl)c2)sc1Cl ZINC000188085640 565377725 /nfs/dbraw/zinc/37/77/25/565377725.db2.gz KZKUYFCLTVRQNS-AWEZNQCLSA-N -1 3 393.317 3.042 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H]1COc2ccccc21 ZINC000167547679 565378515 /nfs/dbraw/zinc/37/85/15/565378515.db2.gz TYIXGOPAIYBRIM-GXSJLCMTSA-N -1 3 388.308 3.354 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(c2ccncc2Br)CC1 ZINC000274742567 565379552 /nfs/dbraw/zinc/37/95/52/565379552.db2.gz KIBUGACWAYRQHB-UHFFFAOYSA-N -1 3 376.254 3.405 20 0 GGADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000167911559 565381022 /nfs/dbraw/zinc/38/10/22/565381022.db2.gz UPIOXCIEXJETAZ-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)F)sc1Cl ZINC000188142170 565382408 /nfs/dbraw/zinc/38/24/08/565382408.db2.gz ZTNOPPXXAQRLDB-UHFFFAOYSA-N -1 3 382.841 3.227 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000170634571 565383365 /nfs/dbraw/zinc/38/33/65/565383365.db2.gz TZQGKOQLZYDVOU-UHFFFAOYSA-N -1 3 383.203 3.024 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)C2=Cc3ccccc3OCC2)s1 ZINC000274914440 565385246 /nfs/dbraw/zinc/38/52/46/565385246.db2.gz YIFZSXUHKSHCBR-UHFFFAOYSA-N -1 3 379.507 3.079 20 0 GGADHM CCCCN(Cc1cc(Cl)c([O-])c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000297754850 565385326 /nfs/dbraw/zinc/38/53/26/565385326.db2.gz LGIYCFRXQCSJQT-CQSZACIVSA-N -1 3 375.918 3.234 20 0 GGADHM COC(=O)c1cnc(SCc2ccc(OC)c(OC)c2Br)[n-]1 ZINC000274950662 565386536 /nfs/dbraw/zinc/38/65/36/565386536.db2.gz SPMDRWSIIPXKIZ-UHFFFAOYSA-N -1 3 387.255 3.268 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(Cl)cc2N1 ZINC000170688191 565387123 /nfs/dbraw/zinc/38/71/23/565387123.db2.gz XYNRBDGJXJYWSH-UHFFFAOYSA-N -1 3 375.208 3.428 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000188294601 565393409 /nfs/dbraw/zinc/39/34/09/565393409.db2.gz GQWOSIBVOHJCSL-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2ccccc2Cl)CC1)c1cccs1 ZINC000170835809 565394482 /nfs/dbraw/zinc/39/44/82/565394482.db2.gz SJGGFUKNIBTCMO-UHFFFAOYSA-N -1 3 384.954 3.387 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c(Cl)c1 ZINC000188337338 565395850 /nfs/dbraw/zinc/39/58/50/565395850.db2.gz LNVMZQVDEQAMMN-CQSZACIVSA-N -1 3 376.906 3.030 20 0 GGADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000275190200 565396735 /nfs/dbraw/zinc/39/67/35/565396735.db2.gz WRJMNIZYJZOGLM-QWRGUYRKSA-N -1 3 380.901 3.168 20 0 GGADHM CC[C@]1(CO)CCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000275192196 565396747 /nfs/dbraw/zinc/39/67/47/565396747.db2.gz CZULSORWVIDQMH-QWNKOJSDSA-N -1 3 398.297 3.188 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccsc1 ZINC000170899985 565398619 /nfs/dbraw/zinc/39/86/19/565398619.db2.gz XONICIDAGYCQCB-UHFFFAOYSA-N -1 3 378.397 3.320 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cn(C)nc2C)cc1Cl ZINC000170940537 565399726 /nfs/dbraw/zinc/39/97/26/565399726.db2.gz JISDDZKDDLKIOY-VIFPVBQESA-N -1 3 378.281 3.083 20 0 GGADHM O=C(Nc1cccc(I)c1)c1n[n-]nc1-c1ccccc1 ZINC000188415127 565400438 /nfs/dbraw/zinc/40/04/38/565400438.db2.gz ICZVHMMKMJHIMA-UHFFFAOYSA-N -1 3 390.184 3.329 20 0 GGADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000188497541 565404325 /nfs/dbraw/zinc/40/43/25/565404325.db2.gz YPNCKASZHJAMDD-UHFFFAOYSA-N -1 3 376.463 3.152 20 0 GGADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000188497541 565404331 /nfs/dbraw/zinc/40/43/31/565404331.db2.gz YPNCKASZHJAMDD-UHFFFAOYSA-N -1 3 376.463 3.152 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc2nn[n-]c21 ZINC000188509207 565405510 /nfs/dbraw/zinc/40/55/10/565405510.db2.gz WYBZZCHEWHMJEU-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc2[n-]nnc21 ZINC000188509207 565405516 /nfs/dbraw/zinc/40/55/16/565405516.db2.gz WYBZZCHEWHMJEU-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc2n[n-]nc21 ZINC000188509207 565405521 /nfs/dbraw/zinc/40/55/21/565405521.db2.gz WYBZZCHEWHMJEU-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(F)cc1F ZINC000188557530 565408951 /nfs/dbraw/zinc/40/89/51/565408951.db2.gz GDHOXOGCFRBUFN-IINYFYTJSA-N -1 3 387.370 3.035 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F ZINC000188560799 565409624 /nfs/dbraw/zinc/40/96/24/565409624.db2.gz USIUYMNJQPQQQH-RNCFNFMXSA-N -1 3 389.798 3.241 20 0 GGADHM Cc1cc2sc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)o3)nc2c(C)c1 ZINC000298332080 565409814 /nfs/dbraw/zinc/40/98/14/565409814.db2.gz OOKFWEXVJUAUIG-UHFFFAOYSA-N -1 3 379.463 3.009 20 0 GGADHM CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1cccc2nn[n-]c21 ZINC000188587190 565411605 /nfs/dbraw/zinc/41/16/05/565411605.db2.gz SYCBDMVYELERHO-UHFFFAOYSA-N -1 3 380.235 3.247 20 0 GGADHM CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1cccc2[n-]nnc21 ZINC000188587190 565411612 /nfs/dbraw/zinc/41/16/12/565411612.db2.gz SYCBDMVYELERHO-UHFFFAOYSA-N -1 3 380.235 3.247 20 0 GGADHM CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1cccc2n[n-]nc21 ZINC000188587190 565411619 /nfs/dbraw/zinc/41/16/19/565411619.db2.gz SYCBDMVYELERHO-UHFFFAOYSA-N -1 3 380.235 3.247 20 0 GGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000188710354 565418815 /nfs/dbraw/zinc/41/88/15/565418815.db2.gz PAZZDJZPERIFQY-NSHDSACASA-N -1 3 378.822 3.367 20 0 GGADHM [O-]c1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1F ZINC000188741524 565420573 /nfs/dbraw/zinc/42/05/73/565420573.db2.gz GCFJWEYEYNCPGD-UHFFFAOYSA-N -1 3 395.272 3.420 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cs1 ZINC000275757026 565425544 /nfs/dbraw/zinc/42/55/44/565425544.db2.gz JXMGNDCYXVOJJM-QMMMGPOBSA-N -1 3 398.403 3.487 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(Cl)ncc2Cl)s1 ZINC000275760220 565425583 /nfs/dbraw/zinc/42/55/83/565425583.db2.gz ZNRZLEZKYSRWCW-UHFFFAOYSA-N -1 3 393.277 3.147 20 0 GGADHM O=C(N=c1cc2n([nH]1)CCCC2)c1[n-]nc(-c2ccccc2)c1Br ZINC000376185994 565426003 /nfs/dbraw/zinc/42/60/03/565426003.db2.gz DNVGNMAWKKOBIQ-UHFFFAOYSA-N -1 3 386.253 3.046 20 0 GGADHM O=C(N=c1cc2n([nH]1)CCCC2)c1n[n-]c(-c2ccccc2)c1Br ZINC000376185994 565426007 /nfs/dbraw/zinc/42/60/07/565426007.db2.gz DNVGNMAWKKOBIQ-UHFFFAOYSA-N -1 3 386.253 3.046 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000275795785 565427768 /nfs/dbraw/zinc/42/77/68/565427768.db2.gz OUKPSBMLTNKOMC-SMDDNHRTSA-N -1 3 399.431 3.178 20 0 GGADHM C[C@H](C[S@@](C)=O)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000298787585 565428467 /nfs/dbraw/zinc/42/84/67/565428467.db2.gz DIFPFBXRWOKOEX-XELLLNAOSA-N -1 3 375.519 3.263 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCc2cccs2)cc1OC ZINC000298986555 565435073 /nfs/dbraw/zinc/43/50/73/565435073.db2.gz PVXUPBWCSQSOEY-UHFFFAOYSA-N -1 3 382.507 3.480 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)o1)c1cc(C(F)(F)F)ccc1Cl ZINC000189071718 565442443 /nfs/dbraw/zinc/44/24/43/565442443.db2.gz QCRNYNKCDSNXFU-UHFFFAOYSA-N -1 3 381.763 3.098 20 0 GGADHM CCc1ccc(C(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)c([O-])c1 ZINC000189087352 565442702 /nfs/dbraw/zinc/44/27/02/565442702.db2.gz IVNSQDUDUNFQSS-INIZCTEOSA-N -1 3 391.265 3.016 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C)cnc3Cl)cc2C[C@H]1C ZINC000276365193 565445934 /nfs/dbraw/zinc/44/59/34/565445934.db2.gz NLKWFBWYJMABMJ-LLVKDONJSA-N -1 3 379.869 3.142 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000171713045 565446996 /nfs/dbraw/zinc/44/69/96/565446996.db2.gz DVEGZKPHUUAQDT-OAHLLOKOSA-N -1 3 379.894 3.401 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)no1 ZINC000299673095 565457549 /nfs/dbraw/zinc/45/75/49/565457549.db2.gz RDUDUHAJPCPQHR-UHFFFAOYSA-N -1 3 383.779 3.264 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1NC(C)(C)C ZINC000276712352 565458203 /nfs/dbraw/zinc/45/82/03/565458203.db2.gz RHJTUAXCFOVSMP-LBPRGKRZSA-N -1 3 381.523 3.264 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000299681717 565459261 /nfs/dbraw/zinc/45/92/61/565459261.db2.gz WGBGALSNZDPWIT-HNNXBMFYSA-N -1 3 382.482 3.408 20 0 GGADHM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000189354499 565459969 /nfs/dbraw/zinc/45/99/69/565459969.db2.gz JEZNVLOOODHLGA-UHFFFAOYSA-N -1 3 398.065 3.245 20 0 GGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000172063091 565465183 /nfs/dbraw/zinc/46/51/83/565465183.db2.gz WSKBZHFUKOWBTM-ZJUUUORDSA-N -1 3 389.315 3.047 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)n[nH]1 ZINC000276934915 565467437 /nfs/dbraw/zinc/46/74/37/565467437.db2.gz MTVRADJRCVXMJL-UWVGGRQHSA-N -1 3 384.889 3.214 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000276938101 565467641 /nfs/dbraw/zinc/46/76/41/565467641.db2.gz ACMFKUFWIYSPMV-LLVKDONJSA-N -1 3 379.787 3.216 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc(Br)ccc1Br ZINC000189470122 565467932 /nfs/dbraw/zinc/46/79/32/565467932.db2.gz MHUBTWJYDIKNDX-QMMMGPOBSA-N -1 3 394.063 3.301 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(Br)ccc1Br ZINC000189470122 565467934 /nfs/dbraw/zinc/46/79/34/565467934.db2.gz MHUBTWJYDIKNDX-QMMMGPOBSA-N -1 3 394.063 3.301 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(I)cc1Cl ZINC000189472738 565467963 /nfs/dbraw/zinc/46/79/63/565467963.db2.gz LOMSWTKQIWRAOM-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(I)cc1Cl ZINC000189472738 565467966 /nfs/dbraw/zinc/46/79/66/565467966.db2.gz LOMSWTKQIWRAOM-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000172172633 565469286 /nfs/dbraw/zinc/46/92/86/565469286.db2.gz GRFGJLOFTIEBCQ-ZDUSSCGKSA-N -1 3 387.571 3.014 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000276996807 565470036 /nfs/dbraw/zinc/47/00/36/565470036.db2.gz TXNYAKLLRFSUCA-UWVGGRQHSA-N -1 3 387.303 3.120 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)N1CCCC[C@@H]1C ZINC000189506174 565470613 /nfs/dbraw/zinc/47/06/13/565470613.db2.gz XQCCOOPRDSOTEO-WDEREUQCSA-N -1 3 380.901 3.311 20 0 GGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)N1CCCC[C@H]1C ZINC000189506195 565470687 /nfs/dbraw/zinc/47/06/87/565470687.db2.gz XQCCOOPRDSOTEO-MNOVXSKESA-N -1 3 380.901 3.311 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@H](OC)CC2)cc(Br)c1[O-] ZINC000377232996 565471159 /nfs/dbraw/zinc/47/11/59/565471159.db2.gz QKOIAKUULZOQCV-GFUIURDCSA-N -1 3 384.270 3.204 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1Br ZINC000277058447 565473469 /nfs/dbraw/zinc/47/34/69/565473469.db2.gz MWPJDFIEXWSTRA-JTQLQIEISA-N -1 3 394.718 3.483 20 0 GGADHM COc1cc(Br)c(CNC[C@H]2CC[C@H](C(=O)[O-])CC2)cc1OC ZINC000277048689 565473489 /nfs/dbraw/zinc/47/34/89/565473489.db2.gz RSWRBOFJSTUAHC-HAQNSBGRSA-N -1 3 386.286 3.447 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Cc2ccc([O-])cc2Cl)c2ccsc2S1(=O)=O ZINC000377329288 565475039 /nfs/dbraw/zinc/47/50/39/565475039.db2.gz GPHMJJBOZQYZLD-XPTSAGLGSA-N -1 3 385.894 3.073 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)no1 ZINC000277081348 565475447 /nfs/dbraw/zinc/47/54/47/565475447.db2.gz UKQRSDCQLDSJPK-UHFFFAOYSA-N -1 3 394.678 3.008 20 0 GGADHM CC[C@@H](C)[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000172271891 565475810 /nfs/dbraw/zinc/47/58/10/565475810.db2.gz QTRIMEQBTBVOLQ-CXAGYDPISA-N -1 3 380.535 3.102 20 0 GGADHM CCOCCOc1ccc(Br)cc1CNCCC[C@H](C)C(=O)[O-] ZINC000277117728 565477089 /nfs/dbraw/zinc/47/70/89/565477089.db2.gz AUMLXIICYAKRIV-ZDUSSCGKSA-N -1 3 388.302 3.455 20 0 GGADHM CSc1cc(Br)ccc1CN[C@H](CN1CCCCC1)C(=O)[O-] ZINC000277125690 565477986 /nfs/dbraw/zinc/47/79/86/565477986.db2.gz BGPJNYXHTAWYMJ-CQSZACIVSA-N -1 3 387.343 3.200 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1Br ZINC000277122791 565478100 /nfs/dbraw/zinc/47/81/00/565478100.db2.gz XIXLOEHOEHDVLA-SNVBAGLBSA-N -1 3 390.690 3.182 20 0 GGADHM O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189662906 565480616 /nfs/dbraw/zinc/48/06/16/565480616.db2.gz BCXQBWFMPZTEGB-NSHDSACASA-N -1 3 393.877 3.050 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)c1 ZINC000172351719 565480761 /nfs/dbraw/zinc/48/07/61/565480761.db2.gz JMCKZOHJGKKADF-UHFFFAOYSA-N -1 3 376.547 3.387 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189668923 565481243 /nfs/dbraw/zinc/48/12/43/565481243.db2.gz KGLGJAJXMYRKFT-UWVGGRQHSA-N -1 3 385.429 3.243 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(Br)cc1Cl ZINC000277195165 565482046 /nfs/dbraw/zinc/48/20/46/565482046.db2.gz GEBWSTIAXMNTRW-AWEZNQCLSA-N -1 3 375.694 3.131 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1nc(-c2cccc(F)c2)no1 ZINC000189678145 565482146 /nfs/dbraw/zinc/48/21/46/565482146.db2.gz XKQYLEZTBGJDOH-LLVKDONJSA-N -1 3 381.454 3.160 20 0 GGADHM O=C(N[C@@H]1CC=CCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000172392020 565482183 /nfs/dbraw/zinc/48/21/83/565482183.db2.gz UBVMGWHODBTZMN-GFCCVEGCSA-N -1 3 382.532 3.127 20 0 GGADHM O=C(N[C@@H]1CC=CCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000172392670 565483341 /nfs/dbraw/zinc/48/33/41/565483341.db2.gz SQSDPHOMAIAVAD-SNVBAGLBSA-N -1 3 389.304 3.273 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccsc2Cl)ccc1OC ZINC000189739180 565484274 /nfs/dbraw/zinc/48/42/74/565484274.db2.gz AOGTZVFYISEFJC-UHFFFAOYSA-N -1 3 388.898 3.237 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1c[nH]c2cccc(F)c21 ZINC000189737239 565484424 /nfs/dbraw/zinc/48/44/24/565484424.db2.gz WJMSKRGAODTULK-UHFFFAOYSA-N -1 3 399.241 3.254 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc(Br)ccc1N1CCCC1 ZINC000189734474 565484733 /nfs/dbraw/zinc/48/47/33/565484733.db2.gz BAHMQZGOVKCEAW-LBPRGKRZSA-N -1 3 384.274 3.139 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(Br)ccc1N1CCCC1 ZINC000189734474 565484738 /nfs/dbraw/zinc/48/47/38/565484738.db2.gz BAHMQZGOVKCEAW-LBPRGKRZSA-N -1 3 384.274 3.139 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000277278667 565486838 /nfs/dbraw/zinc/48/68/38/565486838.db2.gz LWOQZKJXZOFXNW-GFCCVEGCSA-N -1 3 392.677 3.377 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cc(Br)c(Cl)s1 ZINC000277278514 565487197 /nfs/dbraw/zinc/48/71/97/565487197.db2.gz LWADCSFOUAGJDZ-NSHDSACASA-N -1 3 381.723 3.193 20 0 GGADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000301460490 565487247 /nfs/dbraw/zinc/48/72/47/565487247.db2.gz ZERAUHAOGPZJBX-NSHDSACASA-N -1 3 387.807 3.225 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Cl)c(Cl)c1 ZINC000277348352 565491225 /nfs/dbraw/zinc/49/12/25/565491225.db2.gz PFSQANBXUHRPRI-LLVKDONJSA-N -1 3 382.169 3.452 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1sccc1Br ZINC000277410450 565494430 /nfs/dbraw/zinc/49/44/30/565494430.db2.gz SLDOKUHLJVKMRL-LLVKDONJSA-N -1 3 384.251 3.025 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000277401596 565494497 /nfs/dbraw/zinc/49/44/97/565494497.db2.gz RXTJUPYTBPFWOP-QGZVFWFLSA-N -1 3 390.281 3.360 20 0 GGADHM Cc1ccc(CN[C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])c(Br)c1 ZINC000277398011 565494740 /nfs/dbraw/zinc/49/47/40/565494740.db2.gz RUFZFSUPNCKVOX-OAHLLOKOSA-N -1 3 392.249 3.272 20 0 GGADHM Cc1c([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cnn1C ZINC000172658574 565496508 /nfs/dbraw/zinc/49/65/08/565496508.db2.gz DYYDJNOXGDVVOQ-QMMMGPOBSA-N -1 3 381.807 3.440 20 0 GGADHM O=C(NCCc1ccc(F)c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000189962090 565499336 /nfs/dbraw/zinc/49/93/36/565499336.db2.gz SCEMVUJBFSMHPE-UHFFFAOYSA-N -1 3 385.208 3.475 20 0 GGADHM COc1c(Cl)cc(Cl)cc1CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000277491678 565500786 /nfs/dbraw/zinc/50/07/86/565500786.db2.gz XCUQAIANCZUSMI-GFCCVEGCSA-N -1 3 378.252 3.277 20 0 GGADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1csc(Br)c1 ZINC000277495064 565500858 /nfs/dbraw/zinc/50/08/58/565500858.db2.gz XIIQPRCKUOEPSW-ZDUSSCGKSA-N -1 3 398.278 3.187 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(n2cc(Br)cn2)CC1 ZINC000377892042 565504196 /nfs/dbraw/zinc/50/41/96/565504196.db2.gz FRTRIXQFMWOZOJ-UHFFFAOYSA-N -1 3 384.661 3.482 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](c1ncccc1C)C(C)C ZINC000190092270 565507372 /nfs/dbraw/zinc/50/73/72/565507372.db2.gz OPDKFAHJXVHMIW-ZDUSSCGKSA-N -1 3 382.507 3.222 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000190104449 565507625 /nfs/dbraw/zinc/50/76/25/565507625.db2.gz NLSYDFSYPWFLMM-OAHLLOKOSA-N -1 3 379.503 3.143 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)cc(C)c1F ZINC000172894855 565510554 /nfs/dbraw/zinc/51/05/54/565510554.db2.gz YYKNBZQRXNUPTN-UHFFFAOYSA-N -1 3 385.482 3.096 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000190152682 565512087 /nfs/dbraw/zinc/51/20/87/565512087.db2.gz XQRIRFUVXOBJJH-LLVKDONJSA-N -1 3 386.520 3.038 20 0 GGADHM Cc1cc2c(ncnc2NCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000301850153 565514359 /nfs/dbraw/zinc/51/43/59/565514359.db2.gz DRWWAFAAJSUUOL-UHFFFAOYSA-N -1 3 388.927 3.105 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(Br)c1 ZINC000172953065 565514975 /nfs/dbraw/zinc/51/49/75/565514975.db2.gz WMFXIGXEKHDQEZ-NSHDSACASA-N -1 3 398.278 3.275 20 0 GGADHM O=C(COc1ccc(OC(F)(F)F)c(Br)c1)[N-]CC(F)(F)F ZINC000190254375 565518427 /nfs/dbraw/zinc/51/84/27/565518427.db2.gz GRRWBYPSUBGLLK-UHFFFAOYSA-N -1 3 396.081 3.405 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3ccc(Br)s3)CC2)n[n-]1 ZINC000277776782 565520036 /nfs/dbraw/zinc/52/00/36/565520036.db2.gz NKTRDCVMXPQQQT-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3ccc(Br)s3)CC2)[n-]1 ZINC000277776782 565520040 /nfs/dbraw/zinc/52/00/40/565520040.db2.gz NKTRDCVMXPQQQT-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000190285031 565520222 /nfs/dbraw/zinc/52/02/22/565520222.db2.gz OQWYQXZUWIXLAB-UHFFFAOYSA-N -1 3 398.487 3.038 20 0 GGADHM O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1cnn[n-]1 ZINC000173101533 565526873 /nfs/dbraw/zinc/52/68/73/565526873.db2.gz ABAHLDNCMLKEPS-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1c[n-]nn1 ZINC000173101533 565526878 /nfs/dbraw/zinc/52/68/78/565526878.db2.gz ABAHLDNCMLKEPS-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1cn[n-]n1 ZINC000173101533 565526883 /nfs/dbraw/zinc/52/68/83/565526883.db2.gz ABAHLDNCMLKEPS-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1nc(C)cs1 ZINC000173121454 565528921 /nfs/dbraw/zinc/52/89/21/565528921.db2.gz XFTLEWASULXVJT-AWEZNQCLSA-N -1 3 380.470 3.206 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000173132932 565530435 /nfs/dbraw/zinc/53/04/35/565530435.db2.gz RVSMAVSDLLBOOA-JTQLQIEISA-N -1 3 392.424 3.158 20 0 GGADHM O=S(=O)([N-]CCCn1ccnc1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190431142 565532158 /nfs/dbraw/zinc/53/21/58/565532158.db2.gz LCYRDKIDYRHOFB-UHFFFAOYSA-N -1 3 383.901 3.084 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000190456318 565533126 /nfs/dbraw/zinc/53/31/26/565533126.db2.gz LWOFKQTYAZCNFQ-OLZOCXBDSA-N -1 3 384.885 3.188 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccn1 ZINC000190456336 565533622 /nfs/dbraw/zinc/53/36/22/565533622.db2.gz LWOFKQTYAZCNFQ-QWHCGFSZSA-N -1 3 384.885 3.188 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000190462598 565534410 /nfs/dbraw/zinc/53/44/10/565534410.db2.gz FBFLRMPPLILLHD-CHWSQXEVSA-N -1 3 384.885 3.188 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173186190 565535312 /nfs/dbraw/zinc/53/53/12/565535312.db2.gz AKMSNMVZOOPXPN-MRVPVSSYSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(Cl)cc3F)CC2)nc1 ZINC000173211423 565537358 /nfs/dbraw/zinc/53/73/58/565537358.db2.gz IIJOEHFPFCNNFB-UHFFFAOYSA-N -1 3 383.876 3.130 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCCCO1 ZINC000379209065 565538195 /nfs/dbraw/zinc/53/81/95/565538195.db2.gz CTYJTJAGEZIHJI-RNCFNFMXSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)cs1 ZINC000379022791 565538251 /nfs/dbraw/zinc/53/82/51/565538251.db2.gz BNHVAMGSMBKHTG-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCCCO1 ZINC000379209067 565538635 /nfs/dbraw/zinc/53/86/35/565538635.db2.gz CTYJTJAGEZIHJI-ZANVPECISA-N -1 3 382.707 3.338 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Br)cnn1C ZINC000381932512 565540873 /nfs/dbraw/zinc/54/08/73/565540873.db2.gz QUSHITCUJYWVMC-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302546528 565546707 /nfs/dbraw/zinc/54/67/07/565546707.db2.gz IYCPKMIPWHIZDE-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1cccc(C)c1 ZINC000385903211 565546811 /nfs/dbraw/zinc/54/68/11/565546811.db2.gz SIMYFOMBWUFEIA-UHFFFAOYSA-N -1 3 384.295 3.287 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCCn2ccnc2C)cc1Cl ZINC000173311371 565546934 /nfs/dbraw/zinc/54/69/34/565546934.db2.gz LWGWILNTYALZRI-UHFFFAOYSA-N -1 3 392.308 3.266 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1ccc(F)cc1Br ZINC000386439977 565548255 /nfs/dbraw/zinc/54/82/55/565548255.db2.gz QDMWGWIJLMDHNA-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1nc(C(F)(F)F)cs1 ZINC000278303868 565549861 /nfs/dbraw/zinc/54/98/61/565549861.db2.gz CXDWLNLHRQQHIY-MRVPVSSYSA-N -1 3 378.397 3.136 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302699980 565550833 /nfs/dbraw/zinc/55/08/33/565550833.db2.gz AXXPBCDJFFADFE-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302707741 565551182 /nfs/dbraw/zinc/55/11/82/565551182.db2.gz WJJJUVDIONMVMF-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000388801162 565551648 /nfs/dbraw/zinc/55/16/48/565551648.db2.gz ZDVMWTJLPVBTHB-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM COc1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1[O-] ZINC000278361209 565553188 /nfs/dbraw/zinc/55/31/88/565553188.db2.gz JPZBXEROGSMIRE-QMTHXVAHSA-N -1 3 398.219 3.299 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190709221 565553331 /nfs/dbraw/zinc/55/33/31/565553331.db2.gz YPJJAWHATUTVTE-GDBMZVCRSA-N -1 3 387.929 3.348 20 0 GGADHM COc1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(Br)c1[O-] ZINC000278361212 565553475 /nfs/dbraw/zinc/55/34/75/565553475.db2.gz JPZBXEROGSMIRE-YGRLFVJLSA-N -1 3 398.219 3.299 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(C(F)(F)F)cc2)cn1C ZINC000190734270 565554976 /nfs/dbraw/zinc/55/49/76/565554976.db2.gz VEYOUVAIHREVAX-UHFFFAOYSA-N -1 3 375.416 3.047 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000390382106 565555900 /nfs/dbraw/zinc/55/59/00/565555900.db2.gz VNIGXJCUHNFUPZ-UHFFFAOYSA-N -1 3 399.310 3.320 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1c(OC)cccc1OC)c1ccc(Cl)cc1 ZINC000278408654 565556910 /nfs/dbraw/zinc/55/69/10/565556910.db2.gz OVEZDPIQLKNJGI-CQSZACIVSA-N -1 3 385.869 3.023 20 0 GGADHM O=S(=O)([N-]CCCn1ccc2ccccc21)c1cncc(Br)c1 ZINC000390625294 565557331 /nfs/dbraw/zinc/55/73/31/565557331.db2.gz CZXLXLXKRGVKFP-UHFFFAOYSA-N -1 3 394.294 3.167 20 0 GGADHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190766771 565557432 /nfs/dbraw/zinc/55/74/32/565557432.db2.gz IHYYMVFVBINHLP-ZDUSSCGKSA-N -1 3 375.918 3.206 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1CCOc1cccc(Br)c1 ZINC000390548327 565558104 /nfs/dbraw/zinc/55/81/04/565558104.db2.gz JHXIGEUAKPJZHF-QGZVFWFLSA-N -1 3 376.250 3.339 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)cc1OC ZINC000173465171 565558930 /nfs/dbraw/zinc/55/89/30/565558930.db2.gz FOAJNBPDTHXHFY-HNNXBMFYSA-N -1 3 386.470 3.037 20 0 GGADHM CN(Cc1ccccc1Br)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000392098908 565562741 /nfs/dbraw/zinc/56/27/41/565562741.db2.gz YDDZUZSEZQYDRS-OAHLLOKOSA-N -1 3 397.313 3.127 20 0 GGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000392278731 565564612 /nfs/dbraw/zinc/56/46/12/565564612.db2.gz FIKZUWAXNTYCGG-QGZVFWFLSA-N -1 3 394.269 3.432 20 0 GGADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1[O-] ZINC000302983234 565566296 /nfs/dbraw/zinc/56/62/96/565566296.db2.gz KUSSBXGOZPBTNA-AWEZNQCLSA-N -1 3 379.254 3.315 20 0 GGADHM CCN(C(=O)c1cc([N-]S(=O)(=O)CCOC(C)C)ccc1Cl)C(C)C ZINC000278588583 565566975 /nfs/dbraw/zinc/56/69/75/565566975.db2.gz SZHOXMYNFFOJLO-UHFFFAOYSA-N -1 3 390.933 3.377 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 ZINC000190873488 565567072 /nfs/dbraw/zinc/56/70/72/565567072.db2.gz PJHMIHPHCIZLSU-OAHLLOKOSA-N -1 3 375.849 3.442 20 0 GGADHM CC(C)c1cccc(N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000303122703 565567776 /nfs/dbraw/zinc/56/77/76/565567776.db2.gz QGABYDPEMDNICR-UHFFFAOYSA-N -1 3 386.926 3.466 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000173570514 565568436 /nfs/dbraw/zinc/56/84/36/565568436.db2.gz JRUGMIDXZOZQIM-UHFFFAOYSA-N -1 3 387.420 3.035 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000303217626 565568489 /nfs/dbraw/zinc/56/84/89/565568489.db2.gz UITGOBDFEYAJSG-UHFFFAOYSA-N -1 3 377.359 3.374 20 0 GGADHM CC[C@H](C)[C@@H](C)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000303175881 565569047 /nfs/dbraw/zinc/56/90/47/565569047.db2.gz CCKOPSFBRILWJN-WDEREUQCSA-N -1 3 378.947 3.105 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cc(Cl)ccc1Br ZINC000393876044 565569724 /nfs/dbraw/zinc/56/97/24/565569724.db2.gz GXPZOQSRBVNAHT-UHFFFAOYSA-N -1 3 379.439 3.262 20 0 GGADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000393801835 565569898 /nfs/dbraw/zinc/56/98/98/565569898.db2.gz MLZODSIVVRSHPR-HNNXBMFYSA-N -1 3 375.266 3.159 20 0 GGADHM COCCS(=O)(=O)[N-][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000173618442 565570228 /nfs/dbraw/zinc/57/02/28/565570228.db2.gz DAGVQEGETCAGIN-MRXNPFEDSA-N -1 3 375.824 3.273 20 0 GGADHM CCC[C@H](C)CS(=O)(=O)[N-]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000303647646 565572835 /nfs/dbraw/zinc/57/28/35/565572835.db2.gz SWNBZKSGJCAQRZ-NSHDSACASA-N -1 3 391.331 3.052 20 0 GGADHM CCS(=O)(=O)NCc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000173647518 565573009 /nfs/dbraw/zinc/57/30/09/565573009.db2.gz GXAVMJDPOHWCLF-UHFFFAOYSA-N -1 3 382.869 3.046 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](CC)C2)cc1 ZINC000303790886 565573736 /nfs/dbraw/zinc/57/37/36/565573736.db2.gz JWUAACQMMLAEDG-OAHLLOKOSA-N -1 3 388.555 3.039 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000278831925 565579723 /nfs/dbraw/zinc/57/97/23/565579723.db2.gz QRMMNZNFEUWQHS-QVQLBTGDSA-N -1 3 387.910 3.126 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2sc(C)nc2C)sc1Br ZINC000311926813 565580346 /nfs/dbraw/zinc/58/03/46/565580346.db2.gz TYNYOTXPNWGFOD-UHFFFAOYSA-N -1 3 381.342 3.371 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCCC1 ZINC000312641037 565581866 /nfs/dbraw/zinc/58/18/66/565581866.db2.gz PZYNKENOSWZVRZ-UHFFFAOYSA-N -1 3 382.345 3.447 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000312618687 565581740 /nfs/dbraw/zinc/58/17/40/565581740.db2.gz UYKSDQYSZPBFGD-CYBMUJFWSA-N -1 3 382.707 3.196 20 0 GGADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)o1 ZINC000624888334 565581675 /nfs/dbraw/zinc/58/16/75/565581675.db2.gz MAQUYPMQPGICNU-UHFFFAOYSA-N -1 3 397.865 3.248 20 0 GGADHM COC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000312454115 565582033 /nfs/dbraw/zinc/58/20/33/565582033.db2.gz XLYHXSIOPGIENL-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000312618690 565582241 /nfs/dbraw/zinc/58/22/41/565582241.db2.gz UYKSDQYSZPBFGD-ZDUSSCGKSA-N -1 3 382.707 3.196 20 0 GGADHM CCOC1CC(CCNC(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000191107901 565582785 /nfs/dbraw/zinc/58/27/85/565582785.db2.gz TWIYLJMUYRTQRL-SNAWJCMRSA-N -1 3 398.297 3.498 20 0 GGADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c(C)c1Cl ZINC000278903656 565583955 /nfs/dbraw/zinc/58/39/55/565583955.db2.gz VEXWTDHLCMRIJA-SSDOTTSWSA-N -1 3 394.927 3.035 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCOCC1 ZINC000313873467 565584401 /nfs/dbraw/zinc/58/44/01/565584401.db2.gz MBVFBCJLGRMOAE-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c1cccs1 ZINC000278899321 565584428 /nfs/dbraw/zinc/58/44/28/565584428.db2.gz YGFYDNCQTFFOJO-CMPLNLGQSA-N -1 3 375.899 3.201 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC000314956489 565588800 /nfs/dbraw/zinc/58/88/00/565588800.db2.gz QYIWDAFYWFLFFR-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOc2cccc(Br)c2)C1 ZINC000315201245 565589248 /nfs/dbraw/zinc/58/92/48/565589248.db2.gz DILNATBRLIWSDK-CYBMUJFWSA-N -1 3 382.176 3.167 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000173815246 565589533 /nfs/dbraw/zinc/58/95/33/565589533.db2.gz ZQDRXVXYIFNAGO-QGZVFWFLSA-N -1 3 376.503 3.336 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000173815215 565589791 /nfs/dbraw/zinc/58/97/91/565589791.db2.gz WIJOTZWIKYJPJQ-OAHLLOKOSA-N -1 3 382.532 3.397 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000315956338 565591389 /nfs/dbraw/zinc/59/13/89/565591389.db2.gz SQTPZGCUZJYRHO-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CCNc1cc(C)ccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000191349465 565597626 /nfs/dbraw/zinc/59/76/26/565597626.db2.gz VSJBQHRRSDCTTF-UHFFFAOYSA-N -1 3 387.914 3.059 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)sc1Br ZINC000408183817 565598266 /nfs/dbraw/zinc/59/82/66/565598266.db2.gz UTTBGMRIDASSPQ-YPMHNXCESA-N -1 3 380.329 3.055 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@@H]2CCO[C@H]21 ZINC000408181298 565598544 /nfs/dbraw/zinc/59/85/44/565598544.db2.gz BKJBLXAIFAAMKD-ZWKOPEQDSA-N -1 3 394.718 3.194 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(Cl)c1Cl ZINC000408234516 565600568 /nfs/dbraw/zinc/60/05/68/565600568.db2.gz DFQNFWIJRVOWJJ-MCCGJVOXSA-N -1 3 380.293 3.094 20 0 GGADHM CCCN(CCc1cccs1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000191392180 565600770 /nfs/dbraw/zinc/60/07/70/565600770.db2.gz HOUZFEZQVCYGFJ-UHFFFAOYSA-N -1 3 380.491 3.016 20 0 GGADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H](C)CO1 ZINC000408274077 565602110 /nfs/dbraw/zinc/60/21/10/565602110.db2.gz ITUGLCGMEJJTEZ-RKDXNWHRSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])[C@H](C)CO1 ZINC000408274077 565602112 /nfs/dbraw/zinc/60/21/12/565602112.db2.gz ITUGLCGMEJJTEZ-RKDXNWHRSA-N -1 3 399.672 3.193 20 0 GGADHM CC[C@H](C)C[C@@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000173949330 565602199 /nfs/dbraw/zinc/60/21/99/565602199.db2.gz CFOVCXKINCATNX-UONOGXRCSA-N -1 3 387.571 3.025 20 0 GGADHM CC[C@H](C)C[C@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000173949354 565602206 /nfs/dbraw/zinc/60/22/06/565602206.db2.gz CFOVCXKINCATNX-KBPBESRZSA-N -1 3 387.571 3.025 20 0 GGADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000320624888 565603035 /nfs/dbraw/zinc/60/30/35/565603035.db2.gz CSKJPAFYTJIFHE-UHFFFAOYSA-N -1 3 398.326 3.487 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000173974790 565603028 /nfs/dbraw/zinc/60/30/28/565603028.db2.gz FADHHEHWNPHDHP-GFCCVEGCSA-N -1 3 382.869 3.426 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2cccc(Cl)c2C)c1 ZINC000173975670 565603044 /nfs/dbraw/zinc/60/30/44/565603044.db2.gz UZNBAJDKKXMITB-UHFFFAOYSA-N -1 3 382.869 3.346 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(Br)cs2)c1 ZINC000173974199 565603201 /nfs/dbraw/zinc/60/32/01/565603201.db2.gz CJIQNQXSBKCVJX-UHFFFAOYSA-N -1 3 389.296 3.443 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(F)cc2Cl)c1 ZINC000173974845 565603236 /nfs/dbraw/zinc/60/32/36/565603236.db2.gz PXUYMSRBAFZGED-UHFFFAOYSA-N -1 3 386.832 3.177 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CSc2ccc(F)c(F)c2)c1 ZINC000173979237 565604156 /nfs/dbraw/zinc/60/41/56/565604156.db2.gz AIRHATUEKWVQCV-UHFFFAOYSA-N -1 3 386.445 3.376 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000320881570 565604250 /nfs/dbraw/zinc/60/42/50/565604250.db2.gz XLQRQRLVQYJUEV-UHFFFAOYSA-N -1 3 399.310 3.320 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC000173984506 565604315 /nfs/dbraw/zinc/60/43/15/565604315.db2.gz SPNPXOPPSXUFDU-UHFFFAOYSA-N -1 3 377.447 3.335 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(F)c(Cl)c2)c1 ZINC000173976422 565604474 /nfs/dbraw/zinc/60/44/74/565604474.db2.gz HDQSURSGRGWLCM-UHFFFAOYSA-N -1 3 386.832 3.177 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1F ZINC000174032698 565607655 /nfs/dbraw/zinc/60/76/55/565607655.db2.gz VUIKAEISMIDJBZ-UHFFFAOYSA-N -1 3 388.795 3.475 20 0 GGADHM COc1cccc(C(=O)NCc2cc(Br)cc3c2OCC3)c1[O-] ZINC000322352041 565609239 /nfs/dbraw/zinc/60/92/39/565609239.db2.gz FYKVTMCMEMSAGM-UHFFFAOYSA-N -1 3 378.222 3.028 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000174037442 565609382 /nfs/dbraw/zinc/60/93/82/565609382.db2.gz PPNKIYMMFCMGME-VIFPVBQESA-N -1 3 388.287 3.169 20 0 GGADHM Cc1cc(F)c(Br)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000191528757 565610121 /nfs/dbraw/zinc/61/01/21/565610121.db2.gz UGXXKXVYLSCQKL-UHFFFAOYSA-N -1 3 379.189 3.136 20 0 GGADHM C[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1nnnn1C1CC1 ZINC000191538006 565611669 /nfs/dbraw/zinc/61/16/69/565611669.db2.gz PJFLUDROSTZYOO-SECBINFHSA-N -1 3 377.861 3.212 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3cc(Cl)ccc3OC)nc(=O)c2c1C ZINC000409449314 565615915 /nfs/dbraw/zinc/61/59/15/565615915.db2.gz FWBLQNCNYYDJQK-UHFFFAOYSA-N -1 3 378.837 3.332 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000279511293 565616725 /nfs/dbraw/zinc/61/67/25/565616725.db2.gz QILQPYVHPSQKLL-MRVPVSSYSA-N -1 3 399.163 3.437 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000409470711 565617019 /nfs/dbraw/zinc/61/70/19/565617019.db2.gz RVXJBKDXTOWGBS-GFCCVEGCSA-N -1 3 387.479 3.189 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c1 ZINC000409470715 565617263 /nfs/dbraw/zinc/61/72/63/565617263.db2.gz RVXJBKDXTOWGBS-LBPRGKRZSA-N -1 3 387.479 3.189 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)c1 ZINC000409471801 565617544 /nfs/dbraw/zinc/61/75/44/565617544.db2.gz ZSNHJBRGXBNUJR-UHFFFAOYSA-N -1 3 394.499 3.137 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000409487289 565618490 /nfs/dbraw/zinc/61/84/90/565618490.db2.gz RRSPELLWGHIQQS-UHFFFAOYSA-N -1 3 383.466 3.422 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC(C)(C)C ZINC000325250601 565620222 /nfs/dbraw/zinc/62/02/22/565620222.db2.gz KNLWWVOKAMKFRY-MRVPVSSYSA-N -1 3 387.807 3.367 20 0 GGADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000279589042 565621418 /nfs/dbraw/zinc/62/14/18/565621418.db2.gz MIWWSYZQXHESBV-UHFFFAOYSA-N -1 3 378.885 3.100 20 0 GGADHM Cc1ccc(CC(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)cn1 ZINC000409542734 565623279 /nfs/dbraw/zinc/62/32/79/565623279.db2.gz CXBLACUWUUGYED-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM O=C(CC[C@@H]1CCCO1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409544697 565623343 /nfs/dbraw/zinc/62/33/43/565623343.db2.gz SZYYRXUXAWIMPA-JTQLQIEISA-N -1 3 383.221 3.271 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(C3CC3)cnc2Cl)s1 ZINC000279722388 565630292 /nfs/dbraw/zinc/63/02/92/565630292.db2.gz BNRBTNVAKAICEL-UHFFFAOYSA-N -1 3 380.857 3.212 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1cc(F)ccc1OC ZINC000327505392 565630754 /nfs/dbraw/zinc/63/07/54/565630754.db2.gz HPOPSLPENLUBTJ-JTQLQIEISA-N -1 3 387.454 3.030 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000327385325 565630961 /nfs/dbraw/zinc/63/09/61/565630961.db2.gz HEXZLSFYTIWHJM-ZDUSSCGKSA-N -1 3 393.814 3.241 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)oc2C)c1Br ZINC000191805421 565634042 /nfs/dbraw/zinc/63/40/42/565634042.db2.gz JYNSPPPMMMQJNN-UHFFFAOYSA-N -1 3 388.239 3.246 20 0 GGADHM O=S(=O)([N-]c1cc(I)ccc1Cl)c1cccnc1 ZINC000191814117 565634383 /nfs/dbraw/zinc/63/43/83/565634383.db2.gz WKBHDBLXFUBKKY-UHFFFAOYSA-N -1 3 394.621 3.140 20 0 GGADHM CSCCON=C([O-])Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000279837494 565636496 /nfs/dbraw/zinc/63/64/96/565636496.db2.gz GHYGUPSINVDMQI-UHFFFAOYSA-N -1 3 378.479 3.111 20 0 GGADHM CSCCO[N-]C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000279837494 565636502 /nfs/dbraw/zinc/63/65/02/565636502.db2.gz GHYGUPSINVDMQI-UHFFFAOYSA-N -1 3 378.479 3.111 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(=O)Nc2ccc(F)c(F)c2F)sc1Cl ZINC000191837453 565637012 /nfs/dbraw/zinc/63/70/12/565637012.db2.gz GMYDDIHGVXGYEJ-UHFFFAOYSA-N -1 3 398.815 3.044 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(Br)cc1F ZINC000328694199 565638025 /nfs/dbraw/zinc/63/80/25/565638025.db2.gz CUPFJDYXQPWXSH-AWEZNQCLSA-N -1 3 392.290 3.216 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cc(Br)ccc1F ZINC000328695980 565638237 /nfs/dbraw/zinc/63/82/37/565638237.db2.gz DEHVPTNPCSIYPE-CQSZACIVSA-N -1 3 392.290 3.216 20 0 GGADHM Cc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c(Cl)c1 ZINC000191876366 565638899 /nfs/dbraw/zinc/63/88/99/565638899.db2.gz YQKKKAFNNLYOGM-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000174485870 565639226 /nfs/dbraw/zinc/63/92/26/565639226.db2.gz DWJRNCFGWBFHEK-JTQLQIEISA-N -1 3 399.925 3.281 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)NC(=O)CO3)sc1Cl ZINC000191876865 565639562 /nfs/dbraw/zinc/63/95/62/565639562.db2.gz MPINATDGRLLKQJ-VIFPVBQESA-N -1 3 386.882 3.080 20 0 GGADHM O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1cc(Br)ccc1[O-] ZINC000409784000 565639951 /nfs/dbraw/zinc/63/99/51/565639951.db2.gz NIIOCTJNLNQGAP-LBPRGKRZSA-N -1 3 381.270 3.346 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC(=O)NC3(C)C)s2)cs1 ZINC000328751655 565640562 /nfs/dbraw/zinc/64/05/62/565640562.db2.gz RBJGFRQCGNIJFN-GFCCVEGCSA-N -1 3 385.536 3.356 20 0 GGADHM O=S(=O)([N-][C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1cncc(Cl)c1 ZINC000409810261 565641032 /nfs/dbraw/zinc/64/10/32/565641032.db2.gz GCQJQFDRHHSPNO-MRXNPFEDSA-N -1 3 387.288 3.069 20 0 GGADHM CCOC(=O)[C@@H](CC)SCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000279946840 565641717 /nfs/dbraw/zinc/64/17/17/565641717.db2.gz MTMTYESRWKFHPM-SECBINFHSA-N -1 3 384.479 3.067 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1ccco1 ZINC000279950643 565642038 /nfs/dbraw/zinc/64/20/38/565642038.db2.gz XTANUTMOVAPJGH-GFCCVEGCSA-N -1 3 379.356 3.076 20 0 GGADHM O=S(=O)([N-][C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(F)cc1F ZINC000409830054 565642345 /nfs/dbraw/zinc/64/23/45/565642345.db2.gz REJNGXQLHMUBJG-QGZVFWFLSA-N -1 3 387.835 3.298 20 0 GGADHM O=S(=O)([N-][C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(F)cc1F ZINC000409830052 565642555 /nfs/dbraw/zinc/64/25/55/565642555.db2.gz REJNGXQLHMUBJG-KRWDZBQOSA-N -1 3 387.835 3.298 20 0 GGADHM O=S(=O)([N-][C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(F)c(F)c1 ZINC000409814484 565642688 /nfs/dbraw/zinc/64/26/88/565642688.db2.gz XQYCSNXDZLWQKI-KRWDZBQOSA-N -1 3 387.835 3.298 20 0 GGADHM O=C(CC1CCC2(CC1)OCCO2)NCc1ccc([O-])c(Br)c1 ZINC000191923983 565642809 /nfs/dbraw/zinc/64/28/09/565642809.db2.gz PMKNCEBEGHIOLE-UHFFFAOYSA-N -1 3 384.270 3.094 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C3CCC(C(F)(F)F)CC3)cnc2c1Cl ZINC000328842248 565643509 /nfs/dbraw/zinc/64/35/09/565643509.db2.gz HZUSNFYTMYVPMV-UHFFFAOYSA-N -1 3 396.822 3.091 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000280001162 565646090 /nfs/dbraw/zinc/64/60/90/565646090.db2.gz MJSCTRUGIRMYPB-VIFPVBQESA-N -1 3 393.285 3.437 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000174612168 565646626 /nfs/dbraw/zinc/64/66/26/565646626.db2.gz BDLNCOTYZQTNNV-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000409887554 565646615 /nfs/dbraw/zinc/64/66/15/565646615.db2.gz NSLFQFSCTOYJPH-UHFFFAOYSA-N -1 3 384.914 3.380 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(C3CC3)cnc2Cl)ccc1F ZINC000280013055 565646944 /nfs/dbraw/zinc/64/69/44/565646944.db2.gz SNXTZQHAJYAKPS-UHFFFAOYSA-N -1 3 383.832 3.375 20 0 GGADHM CCCN(C(=O)C(=O)[N-]c1cnns1)[C@@H](C)c1ccccc1Br ZINC000191990602 565647555 /nfs/dbraw/zinc/64/75/55/565647555.db2.gz JRJVMTCQAATORE-JTQLQIEISA-N -1 3 397.298 3.239 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409895438 565647904 /nfs/dbraw/zinc/64/79/04/565647904.db2.gz KCUZXUZCWGXLPS-UHFFFAOYSA-N -1 3 381.828 3.230 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000174672578 565650609 /nfs/dbraw/zinc/65/06/09/565650609.db2.gz GPZBUZXVMKGJIE-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CC(C)(C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1Br ZINC000409953503 565652057 /nfs/dbraw/zinc/65/20/57/565652057.db2.gz PRXRQCCYVYAKOP-UHFFFAOYSA-N -1 3 391.191 3.180 20 0 GGADHM CC(C)(C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1Br ZINC000409953503 565652060 /nfs/dbraw/zinc/65/20/60/565652060.db2.gz PRXRQCCYVYAKOP-UHFFFAOYSA-N -1 3 391.191 3.180 20 0 GGADHM CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1Br ZINC000409953503 565652065 /nfs/dbraw/zinc/65/20/65/565652065.db2.gz PRXRQCCYVYAKOP-UHFFFAOYSA-N -1 3 391.191 3.180 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000174700656 565652371 /nfs/dbraw/zinc/65/23/71/565652371.db2.gz CDLBYPWPXOTGDG-GFCCVEGCSA-N -1 3 378.475 3.289 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)s1 ZINC000192216203 565670535 /nfs/dbraw/zinc/67/05/35/565670535.db2.gz DMZHWKWYRMJJGT-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)nc3)CCC2)n1 ZINC000329325458 565662958 /nfs/dbraw/zinc/66/29/58/565662958.db2.gz IRZGNZXKYQNHHP-UHFFFAOYSA-N -1 3 377.413 3.223 20 0 GGADHM CC1(C)C(=O)N[C@H]1C1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000329352837 565664112 /nfs/dbraw/zinc/66/41/12/565664112.db2.gz XSXPBQXLQCZBSZ-INIZCTEOSA-N -1 3 395.297 3.301 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000174910552 565665537 /nfs/dbraw/zinc/66/55/37/565665537.db2.gz IVNJWVNGSADZBA-CYBMUJFWSA-N -1 3 380.564 3.246 20 0 GGADHM O=S(=O)([N-]c1cc([C@H]2CCCOC2)n[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000280333614 565665695 /nfs/dbraw/zinc/66/56/95/565665695.db2.gz QNNYWFGKGRCGGY-VIFPVBQESA-N -1 3 376.265 3.411 20 0 GGADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329455772 565667628 /nfs/dbraw/zinc/66/76/28/565667628.db2.gz PXXIRFVXYCJXAM-QMMMGPOBSA-N -1 3 396.881 3.050 20 0 GGADHM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCN(C2CCC2)CC1 ZINC000329511298 565668286 /nfs/dbraw/zinc/66/82/86/565668286.db2.gz KLDMLFQOTFWYGM-UHFFFAOYSA-N -1 3 390.281 3.013 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000174959139 565670030 /nfs/dbraw/zinc/67/00/30/565670030.db2.gz ULFXBOKNEKLGED-ZDUSSCGKSA-N -1 3 380.564 3.246 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000192214020 565670599 /nfs/dbraw/zinc/67/05/99/565670599.db2.gz QNMZDUQLGYZHJQ-BIMULSAOSA-N -1 3 394.718 3.194 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Cl)c(Br)c1 ZINC000192225125 565671829 /nfs/dbraw/zinc/67/18/29/565671829.db2.gz KJUQPICFVFKCFS-LERXQTSPSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192228583 565672731 /nfs/dbraw/zinc/67/27/31/565672731.db2.gz UPHOQSKNORVZTC-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000329639335 565674188 /nfs/dbraw/zinc/67/41/88/565674188.db2.gz WNEFBQIFKRXRKC-ZYHUDNBSSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@]3(C)CCO[C@@H]3C3CC3)s2)cs1 ZINC000329659803 565675135 /nfs/dbraw/zinc/67/51/35/565675135.db2.gz OFMHKAYPHYJGKN-HZPDHXFCSA-N -1 3 384.548 3.416 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@]3(C)CCO[C@H]3C3CC3)s2)cs1 ZINC000329659801 565675489 /nfs/dbraw/zinc/67/54/89/565675489.db2.gz OFMHKAYPHYJGKN-HOTGVXAUSA-N -1 3 384.548 3.416 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1nc(C(F)(F)F)cs1 ZINC000175037744 565675934 /nfs/dbraw/zinc/67/59/34/565675934.db2.gz HRYSZHGKWUVCBM-JTQLQIEISA-N -1 3 396.460 3.444 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)CSc1n[n-]c(=S)s1 ZINC000175053920 565675976 /nfs/dbraw/zinc/67/59/76/565675976.db2.gz AHRACAWWGPJTMF-UHFFFAOYSA-N -1 3 386.543 3.022 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nc2c(cccc2C)o1 ZINC000410318000 565676594 /nfs/dbraw/zinc/67/65/94/565676594.db2.gz NBXLJUBOGVIEDK-UHFFFAOYSA-N -1 3 380.853 3.319 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Br)cc1 ZINC000175066794 565677588 /nfs/dbraw/zinc/67/75/88/565677588.db2.gz VVLPSWPYVJVHMU-UHFFFAOYSA-N -1 3 378.270 3.068 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(C(F)(F)F)s1 ZINC000329742851 565677592 /nfs/dbraw/zinc/67/75/92/565677592.db2.gz PSMXJSVSKIZVJM-WQAKAFBOSA-N -1 3 381.441 3.393 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(C(F)(F)F)s1 ZINC000329742852 565678149 /nfs/dbraw/zinc/67/81/49/565678149.db2.gz PSMXJSVSKIZVJM-ZWKOPEQDSA-N -1 3 381.441 3.393 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410329253 565678242 /nfs/dbraw/zinc/67/82/42/565678242.db2.gz RFBLMTHTCJOQCN-ZETCQYMHSA-N -1 3 390.248 3.428 20 0 GGADHM CCC[C@@H]1CCc2nc(NC(=O)c3c(C)[n-]c(=O)nc3SC)sc2C1 ZINC000175084614 565678528 /nfs/dbraw/zinc/67/85/28/565678528.db2.gz QTFUZXODDHQTDX-SNVBAGLBSA-N -1 3 378.523 3.414 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(F)c1 ZINC000410371342 565679053 /nfs/dbraw/zinc/67/90/53/565679053.db2.gz DBBMMEVLKOMMLX-UHFFFAOYSA-N -1 3 386.832 3.166 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Cl)cc1Br ZINC000329767606 565679133 /nfs/dbraw/zinc/67/91/33/565679133.db2.gz ZTPCGMULARAELF-UHTWSYAYSA-N -1 3 394.718 3.338 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@]12CCCO2 ZINC000329800294 565680568 /nfs/dbraw/zinc/68/05/68/565680568.db2.gz YFAOQGVHTFNCLL-BZUAXINKSA-N -1 3 394.320 3.139 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000175138662 565681087 /nfs/dbraw/zinc/68/10/87/565681087.db2.gz BAJRMAVMPOPJBB-UHFFFAOYSA-N -1 3 378.885 3.306 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000410384110 565681160 /nfs/dbraw/zinc/68/11/60/565681160.db2.gz RTNPPUDYMQLHCS-UHFFFAOYSA-N -1 3 381.187 3.171 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(Br)cc21 ZINC000175152296 565681271 /nfs/dbraw/zinc/68/12/71/565681271.db2.gz ZGGOBKIFIMNWMX-UHFFFAOYSA-N -1 3 390.281 3.341 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)c1 ZINC000410399378 565682981 /nfs/dbraw/zinc/68/29/81/565682981.db2.gz DUDBQBOYCRQTOZ-UHFFFAOYSA-N -1 3 395.637 3.446 20 0 GGADHM Cc1ccc(CCS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000410419151 565684239 /nfs/dbraw/zinc/68/42/39/565684239.db2.gz OMMQKWHEFINUTF-MRXNPFEDSA-N -1 3 388.316 3.497 20 0 GGADHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)ccc21 ZINC000410421018 565684277 /nfs/dbraw/zinc/68/42/77/565684277.db2.gz ICTFPDKHZQXVHC-UHFFFAOYSA-N -1 3 391.207 3.378 20 0 GGADHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280618426 565684383 /nfs/dbraw/zinc/68/43/83/565684383.db2.gz RILYCPJPTINHIV-GFCCVEGCSA-N -1 3 378.256 3.222 20 0 GGADHM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)ccc21 ZINC000410419314 565684831 /nfs/dbraw/zinc/68/48/31/565684831.db2.gz MMBNTNGVUGAWHA-UHFFFAOYSA-N -1 3 389.235 3.452 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)ccc1=O ZINC000192389830 565684870 /nfs/dbraw/zinc/68/48/70/565684870.db2.gz CDBQMBXACGAPRA-UHFFFAOYSA-N -1 3 391.674 3.085 20 0 GGADHM Cc1nc(NC(=O)[C@@H](C)N2CCCCCC2)sc1-c1n[n-]c(=S)n1C ZINC000175207295 565684945 /nfs/dbraw/zinc/68/49/45/565684945.db2.gz KOVHTORKOGODCC-LLVKDONJSA-N -1 3 380.543 3.113 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)sc1Cl ZINC000329940503 565685878 /nfs/dbraw/zinc/68/58/78/565685878.db2.gz UNHKCVSRZFMOIR-NSHDSACASA-N -1 3 381.972 3.433 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nc(S(C)(=O)=O)ncc1C ZINC000410447962 565687303 /nfs/dbraw/zinc/68/73/03/565687303.db2.gz RDGQUQBTVDISOH-UHFFFAOYSA-N -1 3 385.898 3.206 20 0 GGADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2c(F)cc(Br)cc2F)o1 ZINC000175254225 565687812 /nfs/dbraw/zinc/68/78/12/565687812.db2.gz UGYPQTMQIHAOIU-UHFFFAOYSA-N -1 3 394.193 3.117 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(C)o1 ZINC000192419953 565687940 /nfs/dbraw/zinc/68/79/40/565687940.db2.gz KZQCOKIAMYNGQQ-UHFFFAOYSA-N -1 3 381.212 3.194 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000175259663 565688452 /nfs/dbraw/zinc/68/84/52/565688452.db2.gz JICLRKBCPFSWBT-ZIAGYGMSSA-N -1 3 386.583 3.310 20 0 GGADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000175276425 565690335 /nfs/dbraw/zinc/69/03/35/565690335.db2.gz JMJSXACFXSUDNR-TZMCWYRMSA-N -1 3 394.921 3.390 20 0 GGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000175276445 565690750 /nfs/dbraw/zinc/69/07/50/565690750.db2.gz JMJSXACFXSUDNR-OCCSQVGLSA-N -1 3 394.921 3.390 20 0 GGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175279945 565690778 /nfs/dbraw/zinc/69/07/78/565690778.db2.gz FTWVQDIBPFQEBS-OLZOCXBDSA-N -1 3 394.356 3.410 20 0 GGADHM CCc1cc(=O)[n-]c(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000280744063 565692785 /nfs/dbraw/zinc/69/27/85/565692785.db2.gz MSOQYAGZRZINDV-ZDUSSCGKSA-N -1 3 375.778 3.240 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C)o1 ZINC000175346921 565693488 /nfs/dbraw/zinc/69/34/88/565693488.db2.gz XIPSRWHYSANNLT-LLVKDONJSA-N -1 3 379.356 3.153 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(C)o1 ZINC000175347066 565693505 /nfs/dbraw/zinc/69/35/05/565693505.db2.gz XMSABZSCRLKWHI-CQSZACIVSA-N -1 3 377.384 3.414 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(C)c1)c1ccc(C)o1 ZINC000175349385 565695050 /nfs/dbraw/zinc/69/50/50/565695050.db2.gz JECIOAHUWMKAFZ-AWEZNQCLSA-N -1 3 388.283 3.325 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C)c1ccc(C)o1 ZINC000175350781 565695226 /nfs/dbraw/zinc/69/52/26/565695226.db2.gz MREVKJJBMQZDSY-CYBMUJFWSA-N -1 3 388.283 3.325 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCN4CCCC[C@H]34)s2)cs1 ZINC000330160815 565695597 /nfs/dbraw/zinc/69/55/97/565695597.db2.gz RJCCWMWILAPDTM-GXTWGEPZSA-N -1 3 383.564 3.085 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)sc1Br ZINC000330168831 565696271 /nfs/dbraw/zinc/69/62/71/565696271.db2.gz CVWDVKNFWLYEHL-JTQLQIEISA-N -1 3 380.329 3.199 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(Cl)c1Br ZINC000330211910 565696997 /nfs/dbraw/zinc/69/69/97/565696997.db2.gz JPKFJLIFBSFWJM-YUSALJHKSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(Cl)c1Br ZINC000330211909 565697459 /nfs/dbraw/zinc/69/74/59/565697459.db2.gz JPKFJLIFBSFWJM-WCQGTBRESA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)ccc1Br ZINC000330262743 565699305 /nfs/dbraw/zinc/69/93/05/565699305.db2.gz VNGOJCLVMMKJNA-UHTWSYAYSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000330434477 565706109 /nfs/dbraw/zinc/70/61/09/565706109.db2.gz LKADHBPKKHRGEL-WDEREUQCSA-N -1 3 379.309 3.061 20 0 GGADHM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000192719297 565706127 /nfs/dbraw/zinc/70/61/27/565706127.db2.gz TVSAUURGQCPPFT-UHFFFAOYSA-N -1 3 388.898 3.293 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000192719297 565706130 /nfs/dbraw/zinc/70/61/30/565706130.db2.gz TVSAUURGQCPPFT-UHFFFAOYSA-N -1 3 388.898 3.293 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000330434476 565706585 /nfs/dbraw/zinc/70/65/85/565706585.db2.gz LKADHBPKKHRGEL-QWRGUYRKSA-N -1 3 379.309 3.061 20 0 GGADHM CCn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C(F)(F)F)n1 ZINC000281001011 565707405 /nfs/dbraw/zinc/70/74/05/565707405.db2.gz GBYFYFANPZOVNO-UHFFFAOYSA-N -1 3 392.175 3.320 20 0 GGADHM CCOCc1nc(C)c(C(=O)[N-]c2nc3cc(Br)ccn3n2)s1 ZINC000411051630 565708557 /nfs/dbraw/zinc/70/85/57/565708557.db2.gz UQDIOVWTSGOWHG-UHFFFAOYSA-N -1 3 396.270 3.046 20 0 GGADHM CCC1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCOCC1 ZINC000330548093 565712108 /nfs/dbraw/zinc/71/21/08/565712108.db2.gz VSRJMCARQQZFIM-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000175637041 565712354 /nfs/dbraw/zinc/71/23/54/565712354.db2.gz AXDVFLWJIFCOBF-BYVOGVQKSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000175652117 565713704 /nfs/dbraw/zinc/71/37/04/565713704.db2.gz INBXHVVHJPNKIX-HDODXQBNSA-N -1 3 383.457 3.064 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330634248 565715571 /nfs/dbraw/zinc/71/55/71/565715571.db2.gz LDRPZVVAGKCPRQ-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000330630640 565715670 /nfs/dbraw/zinc/71/56/70/565715670.db2.gz DGIUJLYFTUPOGQ-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000330631722 565715950 /nfs/dbraw/zinc/71/59/50/565715950.db2.gz PXLRFBCBBDLKIX-DGCLKSJQSA-N -1 3 380.279 3.070 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000330634345 565716003 /nfs/dbraw/zinc/71/60/03/565716003.db2.gz TVRMUTDGIDYJNZ-AAEUAGOBSA-N -1 3 380.279 3.070 20 0 GGADHM O=C(Nc1ncccc1[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000192928989 565719405 /nfs/dbraw/zinc/71/94/05/565719405.db2.gz BBCUWCYUNMVYDQ-UHFFFAOYSA-N -1 3 380.853 3.166 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ccc(Cl)cc1 ZINC000192927577 565719436 /nfs/dbraw/zinc/71/94/36/565719436.db2.gz DIYSUXBITUIWHS-HNNXBMFYSA-N -1 3 380.853 3.288 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000192927539 565719748 /nfs/dbraw/zinc/71/97/48/565719748.db2.gz HDERIRAWHHVABV-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ccc(Cl)cc1 ZINC000192927588 565720145 /nfs/dbraw/zinc/72/01/45/565720145.db2.gz DIYSUXBITUIWHS-OAHLLOKOSA-N -1 3 380.853 3.288 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)o2)sc1C ZINC000330812682 565724285 /nfs/dbraw/zinc/72/42/85/565724285.db2.gz KXUZCQYUBQUQNB-UHFFFAOYSA-N -1 3 379.301 3.329 20 0 GGADHM CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCOCC1 ZINC000330850572 565724625 /nfs/dbraw/zinc/72/46/25/565724625.db2.gz WNGKUBPGKFNMQM-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000330841901 565725438 /nfs/dbraw/zinc/72/54/38/565725438.db2.gz AUHAHHXUKLAFRN-UHFFFAOYSA-N -1 3 384.242 3.314 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)sc1Br ZINC000330854959 565726605 /nfs/dbraw/zinc/72/66/05/565726605.db2.gz RPVFZASGZMAJJA-JTQLQIEISA-N -1 3 378.317 3.218 20 0 GGADHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000330869298 565726658 /nfs/dbraw/zinc/72/66/58/565726658.db2.gz PUUIBGYWAWOLQZ-UHFFFAOYSA-N -1 3 377.306 3.095 20 0 GGADHM C[C@@H](CNC(=O)C(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F)C(F)(F)F ZINC000411385487 565727300 /nfs/dbraw/zinc/72/73/00/565727300.db2.gz XIZGKLQXBZZMTJ-XVKPBYJWSA-N -1 3 390.711 3.374 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)c(C)o1 ZINC000175864711 565729177 /nfs/dbraw/zinc/72/91/77/565729177.db2.gz YVOVQCYEFQHCSR-UHFFFAOYSA-N -1 3 397.503 3.242 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175866711 565729471 /nfs/dbraw/zinc/72/94/71/565729471.db2.gz TWYZPNKCALRYDQ-SECBINFHSA-N -1 3 382.829 3.034 20 0 GGADHM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000175872219 565729483 /nfs/dbraw/zinc/72/94/83/565729483.db2.gz GXPIILUIJJMNEN-NRFANRHFSA-N -1 3 378.302 3.209 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)s1 ZINC000175891149 565732396 /nfs/dbraw/zinc/73/23/96/565732396.db2.gz XBJPUHHNQWEUMN-UHFFFAOYSA-N -1 3 388.898 3.090 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C1CCOCC1 ZINC000330972465 565733891 /nfs/dbraw/zinc/73/38/91/565733891.db2.gz FXYVLQMPLKLVTO-ZDUSSCGKSA-N -1 3 380.279 3.072 20 0 GGADHM CSCCON=C([O-])Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000281479214 565733876 /nfs/dbraw/zinc/73/38/76/565733876.db2.gz SSGPXIXLXVXLOH-UHFFFAOYSA-N -1 3 399.314 3.304 20 0 GGADHM CSCCO[N-]C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000281479214 565733879 /nfs/dbraw/zinc/73/38/79/565733879.db2.gz SSGPXIXLXVXLOH-UHFFFAOYSA-N -1 3 399.314 3.304 20 0 GGADHM CC(=O)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000193171420 565736699 /nfs/dbraw/zinc/73/66/99/565736699.db2.gz NUUBNPAEBFTPIS-UHFFFAOYSA-N -1 3 380.853 3.449 20 0 GGADHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1ccc(CC(F)(F)F)cc1 ZINC000331071720 565737617 /nfs/dbraw/zinc/73/76/17/565737617.db2.gz DLPABTGTANYTIL-UHFFFAOYSA-N -1 3 391.333 3.181 20 0 GGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000331062881 565737830 /nfs/dbraw/zinc/73/78/30/565737830.db2.gz OCCLTHMMGSVABW-WCQYABFASA-N -1 3 380.279 3.070 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000331062883 565738264 /nfs/dbraw/zinc/73/82/64/565738264.db2.gz OCCLTHMMGSVABW-YPMHNXCESA-N -1 3 380.279 3.070 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1Br ZINC000175988700 565739329 /nfs/dbraw/zinc/73/93/29/565739329.db2.gz ZRGDEJYAWLAUAU-UHFFFAOYSA-N -1 3 378.270 3.068 20 0 GGADHM CCSc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1 ZINC000175994001 565739715 /nfs/dbraw/zinc/73/97/15/565739715.db2.gz IPPWCIKKKQKPJO-LLVKDONJSA-N -1 3 382.507 3.099 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000193235660 565740161 /nfs/dbraw/zinc/74/01/61/565740161.db2.gz VEPBTNMOZLLRTJ-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CC[C@@H]1CN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)CCCO1 ZINC000281667205 565741560 /nfs/dbraw/zinc/74/15/60/565741560.db2.gz OQPHRHJUYAGOFW-URWSZGRFSA-N -1 3 384.270 3.204 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc3ccccc3s2)c(C)o1 ZINC000176023888 565742443 /nfs/dbraw/zinc/74/24/43/565742443.db2.gz NXDOTRALSGDHDJ-JTQLQIEISA-N -1 3 378.475 3.202 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@H]1C ZINC000331153413 565742773 /nfs/dbraw/zinc/74/27/73/565742773.db2.gz CKGJMQOZEQFHIK-MNOVXSKESA-N -1 3 379.309 3.061 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(Br)cs1 ZINC000176043136 565742975 /nfs/dbraw/zinc/74/29/75/565742975.db2.gz LVBHIHIRGOMFBT-UHFFFAOYSA-N -1 3 384.299 3.130 20 0 GGADHM CN1CCCN(c2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc2)CC1 ZINC000176046266 565743496 /nfs/dbraw/zinc/74/34/96/565743496.db2.gz FOJHQRFUPVHCKA-UHFFFAOYSA-N -1 3 395.579 3.073 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000176054957 565743890 /nfs/dbraw/zinc/74/38/90/565743890.db2.gz FJOCPDIXPBHIBB-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM C[C@H]1CCCCN1C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000193322969 565744369 /nfs/dbraw/zinc/74/43/69/565744369.db2.gz OAEKXORHLLSIMT-LBPRGKRZSA-N -1 3 384.548 3.303 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)c(C)o1 ZINC000176102621 565748784 /nfs/dbraw/zinc/74/87/84/565748784.db2.gz KYLQXXBXLVRKAU-MRVPVSSYSA-N -1 3 391.276 3.294 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1[C@@H](C)O ZINC000281806531 565748910 /nfs/dbraw/zinc/74/89/10/565748910.db2.gz VQRILPZLMAEDLI-SNVBAGLBSA-N -1 3 375.277 3.229 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1 ZINC000331270830 565750527 /nfs/dbraw/zinc/75/05/27/565750527.db2.gz KYEZGBIXIPANAR-NWDGAFQWSA-N -1 3 377.553 3.186 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1 ZINC000331270832 565750670 /nfs/dbraw/zinc/75/06/70/565750670.db2.gz KYEZGBIXIPANAR-RYUDHWBXSA-N -1 3 377.553 3.186 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000331264755 565750863 /nfs/dbraw/zinc/75/08/63/565750863.db2.gz GQFVFMGSNCXWEQ-NEPJUHHUSA-N -1 3 377.915 3.079 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000331264758 565751038 /nfs/dbraw/zinc/75/10/38/565751038.db2.gz GQFVFMGSNCXWEQ-VXGBXAGGSA-N -1 3 377.915 3.079 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000281920061 565756208 /nfs/dbraw/zinc/75/62/08/565756208.db2.gz NXBUJIQIIBRRNT-SNVBAGLBSA-N -1 3 376.400 3.030 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CC1CCC1)c1ccccc1 ZINC000176207730 565757373 /nfs/dbraw/zinc/75/73/73/565757373.db2.gz RTRWMQQIRMURBG-AWEZNQCLSA-N -1 3 378.519 3.248 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1csc(-c2cnccn2)n1 ZINC000176192518 565757486 /nfs/dbraw/zinc/75/74/86/565757486.db2.gz NMBBXSCDCLVMJK-UHFFFAOYSA-N -1 3 377.223 3.321 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@@H](c3ccc(Br)cc3)C2)on1 ZINC000331394377 565757661 /nfs/dbraw/zinc/75/76/61/565757661.db2.gz BQQGUSVNPGGNSS-SWLSCSKDSA-N -1 3 394.269 3.146 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[n-]1 ZINC000193540277 565759648 /nfs/dbraw/zinc/75/96/48/565759648.db2.gz LAGMHCFHWUCRTN-UHFFFAOYSA-N -1 3 388.276 3.254 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000331446426 565759944 /nfs/dbraw/zinc/75/99/44/565759944.db2.gz DIWBWTGTJLUNQO-CXAGYDPISA-N -1 3 386.876 3.352 20 0 GGADHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(-c3nccs3)c2C)[n-]1 ZINC000193539654 565760002 /nfs/dbraw/zinc/76/00/02/565760002.db2.gz OBEGQAWMAGQGFK-UHFFFAOYSA-N -1 3 376.463 3.035 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000331446477 565760849 /nfs/dbraw/zinc/76/08/49/565760849.db2.gz DIWBWTGTJLUNQO-SUMWQHHRSA-N -1 3 386.876 3.352 20 0 GGADHM CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000176285271 565762858 /nfs/dbraw/zinc/76/28/58/565762858.db2.gz UUVUVGRVPCMFQI-UHFFFAOYSA-N -1 3 382.360 3.066 20 0 GGADHM CN(CC1CCN(C)CC1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176289410 565763112 /nfs/dbraw/zinc/76/31/12/565763112.db2.gz MZRRVYGWZTVAOT-UHFFFAOYSA-N -1 3 375.694 3.222 20 0 GGADHM CSc1ccccc1[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000282116887 565764522 /nfs/dbraw/zinc/76/45/22/565764522.db2.gz NLEAXOOACDUATP-LBPRGKRZSA-N -1 3 384.548 3.016 20 0 GGADHM O=C(CCCNC(=O)c1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000176434110 565771763 /nfs/dbraw/zinc/77/17/63/565771763.db2.gz ABHPKAVHSAEGHZ-UHFFFAOYSA-N -1 3 377.238 3.303 20 0 GGADHM CCc1cccc(S(=O)(=O)[N-]c2cc(NS(C)(=O)=O)ccc2Cl)c1 ZINC000176446834 565772552 /nfs/dbraw/zinc/77/25/52/565772552.db2.gz MVGSKTCFOCLPDP-UHFFFAOYSA-N -1 3 388.898 3.075 20 0 GGADHM Cc1cc(C)cc(C(=O)NCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176438800 565772937 /nfs/dbraw/zinc/77/29/37/565772937.db2.gz HJFUIDSHRBYPPI-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(Br)s1 ZINC000282414072 565777619 /nfs/dbraw/zinc/77/76/19/565777619.db2.gz STBQMQIAJTYJPX-SNVBAGLBSA-N -1 3 380.329 3.138 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCc3cc(Br)ccc32)c1 ZINC000331728146 565780387 /nfs/dbraw/zinc/78/03/87/565780387.db2.gz OMKKLFJMHOTIRJ-AWEZNQCLSA-N -1 3 384.299 3.192 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000193890226 565780947 /nfs/dbraw/zinc/78/09/47/565780947.db2.gz ZVRMYHJIBNXWRI-SECBINFHSA-N -1 3 391.242 3.156 20 0 GGADHM CN(C(=O)CSc1n[n-]c(=S)s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176534072 565781079 /nfs/dbraw/zinc/78/10/79/565781079.db2.gz FFUACCCVIVAKMH-AWEZNQCLSA-N -1 3 394.591 3.416 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000176526532 565781294 /nfs/dbraw/zinc/78/12/94/565781294.db2.gz JPIIYYQUOSLMKR-OCCSQVGLSA-N -1 3 398.937 3.084 20 0 GGADHM CCOc1ccc(C(C)(C)C(=O)N=c2[nH][n-]cc2Br)cc1OCC ZINC000412340706 565782564 /nfs/dbraw/zinc/78/25/64/565782564.db2.gz RJKPJGIHWUFKFE-UHFFFAOYSA-N -1 3 396.285 3.308 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)C1(Cc2ccccc2Br)CC1 ZINC000412342141 565783108 /nfs/dbraw/zinc/78/31/08/565783108.db2.gz TWXKYDAZYRILRV-UHFFFAOYSA-N -1 3 399.086 3.318 20 0 GGADHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3cnc(C(C)=O)s3)nc21 ZINC000412361228 565785066 /nfs/dbraw/zinc/78/50/66/565785066.db2.gz KTBBRBKHVBCUNO-VIFPVBQESA-N -1 3 379.463 3.038 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000194006197 565789492 /nfs/dbraw/zinc/78/94/92/565789492.db2.gz SPVGYBMXYRTURV-UHFFFAOYSA-N -1 3 380.329 3.022 20 0 GGADHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000331883018 565789765 /nfs/dbraw/zinc/78/97/65/565789765.db2.gz HVNRKJXKGASJAX-ZFVVBOAOSA-N -1 3 396.325 3.485 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1Br ZINC000282660125 565790660 /nfs/dbraw/zinc/79/06/60/565790660.db2.gz PWLRTNQEHLOVPO-LLVKDONJSA-N -1 3 394.718 3.483 20 0 GGADHM CCS[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000176657702 565791819 /nfs/dbraw/zinc/79/18/19/565791819.db2.gz HCVMBJGSQLOKMH-YPMHNXCESA-N -1 3 380.539 3.190 20 0 GGADHM CCOc1cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)cc(Br)c1[O-] ZINC000331909639 565791859 /nfs/dbraw/zinc/79/18/59/565791859.db2.gz INBZXCJIPDXXHR-DZGCQCFKSA-N -1 3 398.297 3.123 20 0 GGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2c(c(Br)c1)OCO2 ZINC000194126911 565795802 /nfs/dbraw/zinc/79/58/02/565795802.db2.gz MMVRSYFRMVZPGL-UHFFFAOYSA-N -1 3 396.144 3.300 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc3cc(Cl)ccc3s2)cc1S(=O)(=O)N(C)C ZINC000176701420 565796078 /nfs/dbraw/zinc/79/60/78/565796078.db2.gz OEEHXUANCKPPSP-UHFFFAOYSA-N -1 3 399.881 3.354 20 0 GGADHM COC[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000331967815 565796463 /nfs/dbraw/zinc/79/64/63/565796463.db2.gz KKDFGYJCRSXOSJ-SECBINFHSA-N -1 3 399.672 3.053 20 0 GGADHM COC[C@@H]1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000331967815 565796468 /nfs/dbraw/zinc/79/64/68/565796468.db2.gz KKDFGYJCRSXOSJ-SECBINFHSA-N -1 3 399.672 3.053 20 0 GGADHM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000331975507 565797429 /nfs/dbraw/zinc/79/74/29/565797429.db2.gz XEQOMFKNVQGLNU-HNNXBMFYSA-N -1 3 379.507 3.190 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)ccc21 ZINC000176728446 565798846 /nfs/dbraw/zinc/79/88/46/565798846.db2.gz SDSFJPBWBJICIX-UHFFFAOYSA-N -1 3 386.807 3.328 20 0 GGADHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000282834975 565799160 /nfs/dbraw/zinc/79/91/60/565799160.db2.gz VRXQUORHPKQQMR-ZDUSSCGKSA-N -1 3 393.818 3.448 20 0 GGADHM CC(C)CO[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000332018239 565799456 /nfs/dbraw/zinc/79/94/56/565799456.db2.gz RYZFCVHGPIQPGQ-CYBMUJFWSA-N -1 3 393.281 3.178 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)sc1Br ZINC000332010669 565799698 /nfs/dbraw/zinc/79/96/98/565799698.db2.gz RICFIAXEZOPDLR-NSHDSACASA-N -1 3 396.372 3.286 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)N1CCCCC1 ZINC000176839139 565807255 /nfs/dbraw/zinc/80/72/55/565807255.db2.gz CLAYEQVBPHITBR-LLVKDONJSA-N -1 3 386.926 3.234 20 0 GGADHM CCOc1ccc2nc([N-]C(=O)c3cnc(C4OCCO4)s3)sc2c1 ZINC000283029294 565807888 /nfs/dbraw/zinc/80/78/88/565807888.db2.gz MUFADQYICQEROG-UHFFFAOYSA-N -1 3 377.447 3.449 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCOC1 ZINC000332136707 565808955 /nfs/dbraw/zinc/80/89/55/565808955.db2.gz KOKGOFVJKAUMSC-BDAKNGLRSA-N -1 3 399.672 3.099 20 0 GGADHM C[C@@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@H]1CCOC1 ZINC000332136707 565808958 /nfs/dbraw/zinc/80/89/58/565808958.db2.gz KOKGOFVJKAUMSC-BDAKNGLRSA-N -1 3 399.672 3.099 20 0 GGADHM C[C@]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)(C(N)=O)c1ccccc1 ZINC000176860645 565809201 /nfs/dbraw/zinc/80/92/01/565809201.db2.gz RRMLVHWHRKKHIH-QGZVFWFLSA-N -1 3 394.905 3.234 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000332138309 565809539 /nfs/dbraw/zinc/80/95/39/565809539.db2.gz LLDNKPUVDUGJCB-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM O=C(Cc1cccc(Cl)c1Cl)NCCCNC(=O)c1cccc([O-])c1 ZINC000194367055 565810102 /nfs/dbraw/zinc/81/01/02/565810102.db2.gz SRPAQEYZCVCPFS-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM NC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000176881798 565812035 /nfs/dbraw/zinc/81/20/35/565812035.db2.gz GCQYCCGUGPGDBX-UHFFFAOYSA-N -1 3 394.905 3.175 20 0 GGADHM COc1csc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000176891382 565812138 /nfs/dbraw/zinc/81/21/38/565812138.db2.gz ZNECNVXPAQTKER-UHFFFAOYSA-N -1 3 386.470 3.225 20 0 GGADHM CN(C[C@@H]1CCOC1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332166047 565812104 /nfs/dbraw/zinc/81/21/04/565812104.db2.gz RCXGNRDOFDPTIQ-VIFPVBQESA-N -1 3 399.672 3.053 20 0 GGADHM CN(C[C@@H]1CCOC1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332166047 565812111 /nfs/dbraw/zinc/81/21/11/565812111.db2.gz RCXGNRDOFDPTIQ-VIFPVBQESA-N -1 3 399.672 3.053 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCC2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000176908782 565813607 /nfs/dbraw/zinc/81/36/07/565813607.db2.gz ZSFBUVHICWUBEZ-UHFFFAOYSA-N -1 3 382.423 3.077 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]CCCSC)cc1Cl ZINC000176930100 565815170 /nfs/dbraw/zinc/81/51/70/565815170.db2.gz RBFFNGMCWXANDO-UHFFFAOYSA-N -1 3 388.736 3.143 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2c(C)noc2C)sc1Br ZINC000176933113 565815663 /nfs/dbraw/zinc/81/56/63/565815663.db2.gz ZDHHZSYIJOASMR-QMMMGPOBSA-N -1 3 393.328 3.333 20 0 GGADHM NC(=O)CC1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000332455201 565838000 /nfs/dbraw/zinc/83/80/00/565838000.db2.gz NMDRMXQOLBOIFN-UHFFFAOYSA-N -1 3 381.679 3.229 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCCn2ccnc2C)sc1Br ZINC000176936682 565815746 /nfs/dbraw/zinc/81/57/46/565815746.db2.gz IXDYYTHONSSEJE-UHFFFAOYSA-N -1 3 392.344 3.083 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2c(C)noc2C)sc1Br ZINC000176933127 565815870 /nfs/dbraw/zinc/81/58/70/565815870.db2.gz ZDHHZSYIJOASMR-MRVPVSSYSA-N -1 3 393.328 3.333 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)s1 ZINC000176949806 565817215 /nfs/dbraw/zinc/81/72/15/565817215.db2.gz LTQCLGLQEIBQGV-UHFFFAOYSA-N -1 3 381.342 3.316 20 0 GGADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C1CCOCC1 ZINC000332254747 565822103 /nfs/dbraw/zinc/82/21/03/565822103.db2.gz DHHOWWNFZWBCEG-VIFPVBQESA-N -1 3 397.248 3.375 20 0 GGADHM O=C(Cc1nc(=O)c2c([n-]1)sc1c2CCSC1)c1cc(F)cc(F)c1 ZINC000194562943 565823019 /nfs/dbraw/zinc/82/30/19/565823019.db2.gz JGGHTYYTVSEXMU-UHFFFAOYSA-N -1 3 378.425 3.478 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCCCC1=O ZINC000194601955 565825741 /nfs/dbraw/zinc/82/57/41/565825741.db2.gz DLHMWHPEPRWDPR-SNVBAGLBSA-N -1 3 398.834 3.038 20 0 GGADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000194622598 565826379 /nfs/dbraw/zinc/82/63/79/565826379.db2.gz GUOWQTVIQPSJNB-UHFFFAOYSA-N -1 3 378.679 3.384 20 0 GGADHM C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)[C@H]1C ZINC000177082339 565827515 /nfs/dbraw/zinc/82/75/15/565827515.db2.gz LJQXMAGJTFVYLJ-NEPJUHHUSA-N -1 3 384.548 3.159 20 0 GGADHM Cc1cnc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(Br)c1 ZINC000194625813 565827607 /nfs/dbraw/zinc/82/76/07/565827607.db2.gz UTJROUBLULETSH-UHFFFAOYSA-N -1 3 377.210 3.373 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(Cl)c2)s1 ZINC000177088559 565827693 /nfs/dbraw/zinc/82/76/93/565827693.db2.gz QKRKXMHXZBWKSQ-UHFFFAOYSA-N -1 3 389.930 3.155 20 0 GGADHM O=C(CC1CCOCC1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000332317945 565827669 /nfs/dbraw/zinc/82/76/69/565827669.db2.gz QUFCRHYLQKTWST-UHFFFAOYSA-N -1 3 383.221 3.129 20 0 GGADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC000194624875 565827747 /nfs/dbraw/zinc/82/77/47/565827747.db2.gz VMQPOPRLBJOKNI-UHFFFAOYSA-N -1 3 380.832 3.310 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1Br ZINC000194663183 565828845 /nfs/dbraw/zinc/82/88/45/565828845.db2.gz IFXRHPJDXZZNDG-UHFFFAOYSA-N -1 3 397.294 3.260 20 0 GGADHM Cn1cnnc1-c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1 ZINC000194645929 565829388 /nfs/dbraw/zinc/82/93/88/565829388.db2.gz FWQHWZIZSNCRMS-UHFFFAOYSA-N -1 3 380.832 3.217 20 0 GGADHM CCNc1ncc(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)s1 ZINC000177152679 565832185 /nfs/dbraw/zinc/83/21/85/565832185.db2.gz NUCOKKFONXEDQB-UHFFFAOYSA-N -1 3 375.479 3.278 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C[C@@H]4CCCO4)n3)[n-]2)c1 ZINC000283832725 565832304 /nfs/dbraw/zinc/83/23/04/565832304.db2.gz JTIYOEGSEPLURC-NSHDSACASA-N -1 3 376.214 3.006 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C[C@@H]4CCCO4)n3)n2)c1 ZINC000283832725 565832307 /nfs/dbraw/zinc/83/23/07/565832307.db2.gz JTIYOEGSEPLURC-NSHDSACASA-N -1 3 376.214 3.006 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C[C@@H]4CCCO4)n3)n[n-]2)c1 ZINC000283832725 565832310 /nfs/dbraw/zinc/83/23/10/565832310.db2.gz JTIYOEGSEPLURC-NSHDSACASA-N -1 3 376.214 3.006 20 0 GGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000177185948 565834385 /nfs/dbraw/zinc/83/43/85/565834385.db2.gz WPLGWKKYQBMHJI-UHFFFAOYSA-N -1 3 388.898 3.466 20 0 GGADHM CO[C@H](C)c1noc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)n1 ZINC000177194877 565835048 /nfs/dbraw/zinc/83/50/48/565835048.db2.gz OJNGWTYCPDLBMA-SECBINFHSA-N -1 3 381.845 3.420 20 0 GGADHM COC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194771305 565835845 /nfs/dbraw/zinc/83/58/45/565835845.db2.gz NKGZXEMQARGCME-QMMMGPOBSA-N -1 3 390.221 3.029 20 0 GGADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1cccc2nsnc21 ZINC000194775747 565836336 /nfs/dbraw/zinc/83/63/36/565836336.db2.gz XDNKPSGPJUXDKS-CQSZACIVSA-N -1 3 388.499 3.216 20 0 GGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ncc(Br)cn1 ZINC000332424091 565836784 /nfs/dbraw/zinc/83/67/84/565836784.db2.gz BBBQFQQIXOLFNQ-JTQLQIEISA-N -1 3 376.254 3.315 20 0 GGADHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194780292 565836940 /nfs/dbraw/zinc/83/69/40/565836940.db2.gz RJDAOLVZIBHRLT-VIFPVBQESA-N -1 3 390.221 3.171 20 0 GGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ncc(Br)cn1 ZINC000332424100 565837000 /nfs/dbraw/zinc/83/70/00/565837000.db2.gz BBBQFQQIXOLFNQ-SNVBAGLBSA-N -1 3 376.254 3.315 20 0 GGADHM O=C(NC[C@H]1CCCCO1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332501391 565841779 /nfs/dbraw/zinc/84/17/79/565841779.db2.gz RHHGUEQJQLOMQM-SNVBAGLBSA-N -1 3 399.672 3.243 20 0 GGADHM O=C(NC[C@H]1CCCCO1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332501391 565841782 /nfs/dbraw/zinc/84/17/82/565841782.db2.gz RHHGUEQJQLOMQM-SNVBAGLBSA-N -1 3 399.672 3.243 20 0 GGADHM CCOC[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000332528132 565842609 /nfs/dbraw/zinc/84/26/09/565842609.db2.gz TZFFQHZVWSNRPP-GFCCVEGCSA-N -1 3 393.281 3.179 20 0 GGADHM NC(=O)CC1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000332535962 565843200 /nfs/dbraw/zinc/84/32/00/565843200.db2.gz YLEIRGCXIKEZFH-UHFFFAOYSA-N -1 3 392.253 3.068 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)sc1Br ZINC000332558906 565843981 /nfs/dbraw/zinc/84/39/81/565843981.db2.gz NIFSZDKCILJFLX-LLVKDONJSA-N -1 3 398.344 3.031 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000332585200 565845029 /nfs/dbraw/zinc/84/50/29/565845029.db2.gz HHPGLBCNFCAHNJ-UKRRQHHQSA-N -1 3 386.514 3.053 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000332597659 565846229 /nfs/dbraw/zinc/84/62/29/565846229.db2.gz MJMWCTVYQZZOLF-PSASIEDQSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCO1 ZINC000332597659 565846231 /nfs/dbraw/zinc/84/62/31/565846231.db2.gz MJMWCTVYQZZOLF-PSASIEDQSA-N -1 3 399.672 3.241 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000332585201 565846672 /nfs/dbraw/zinc/84/66/72/565846672.db2.gz HHPGLBCNFCAHNJ-ZFWWWQNUSA-N -1 3 386.514 3.053 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)NC1CCCCC1 ZINC000332622841 565848858 /nfs/dbraw/zinc/84/88/58/565848858.db2.gz OSYRNPUTLIOBAQ-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc2n[n-]nc2c1 ZINC000194942842 565849772 /nfs/dbraw/zinc/84/97/72/565849772.db2.gz YZDVCXKRUKGQDF-UHFFFAOYSA-N -1 3 397.179 3.252 20 0 GGADHM CC(=O)c1ncc(C(=O)[N-]c2nc3cc4c(cc3s2)OCCCO4)s1 ZINC000413405539 565850413 /nfs/dbraw/zinc/85/04/13/565850413.db2.gz MHRLEBQRRNAJJY-UHFFFAOYSA-N -1 3 375.431 3.369 20 0 GGADHM CC(=O)N1CCC[C@@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)C1 ZINC000332659637 565851199 /nfs/dbraw/zinc/85/11/99/565851199.db2.gz NTOQYUZTBXRJAC-LLVKDONJSA-N -1 3 381.263 3.002 20 0 GGADHM C[C@]1(c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000177456589 565853030 /nfs/dbraw/zinc/85/30/30/565853030.db2.gz SFIQXWFVJJLYOZ-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Br)cs1 ZINC000195008986 565853168 /nfs/dbraw/zinc/85/31/68/565853168.db2.gz ZSHKZZLUJBHRTK-UHFFFAOYSA-N -1 3 375.269 3.134 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCO1 ZINC000332701362 565853220 /nfs/dbraw/zinc/85/32/20/565853220.db2.gz WZNGBWDOEMLUIB-BDAKNGLRSA-N -1 3 383.221 3.127 20 0 GGADHM C[C@H]1C[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCO1 ZINC000332687990 565853671 /nfs/dbraw/zinc/85/36/71/565853671.db2.gz UMCQGOIFUWUHLR-VHSXEESVSA-N -1 3 382.233 3.154 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)CSc2n[n-]c(=S)s2)CCN1Cc1ccccc1 ZINC000177476355 565853722 /nfs/dbraw/zinc/85/37/22/565853722.db2.gz VDSOCXDVTRISAO-OCCSQVGLSA-N -1 3 394.591 3.462 20 0 GGADHM CCCCn1c(C)c(C)nc1S(=O)(=O)Cc1n[n-]c(-c2cccs2)n1 ZINC000195027724 565854611 /nfs/dbraw/zinc/85/46/11/565854611.db2.gz KEVPFFZMHBTOOF-UHFFFAOYSA-N -1 3 379.511 3.121 20 0 GGADHM CCCCn1c(C)c(C)nc1S(=O)(=O)Cc1nnc(-c2cccs2)[n-]1 ZINC000195027724 565854616 /nfs/dbraw/zinc/85/46/16/565854616.db2.gz KEVPFFZMHBTOOF-UHFFFAOYSA-N -1 3 379.511 3.121 20 0 GGADHM CCCCn1c(C)c(C)nc1S(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000195027724 565854618 /nfs/dbraw/zinc/85/46/18/565854618.db2.gz KEVPFFZMHBTOOF-UHFFFAOYSA-N -1 3 379.511 3.121 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nnc2n1CCCCC2 ZINC000284481319 565854883 /nfs/dbraw/zinc/85/48/83/565854883.db2.gz ZCAKTBYXOZNTKG-ZDUSSCGKSA-N -1 3 386.880 3.227 20 0 GGADHM [O-]C(=NOCCC(F)(F)F)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000284498981 565856020 /nfs/dbraw/zinc/85/60/20/565856020.db2.gz UXYCFYLFAMVWSF-UHFFFAOYSA-N -1 3 385.745 3.321 20 0 GGADHM O=C([N-]OCCC(F)(F)F)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000284498981 565856027 /nfs/dbraw/zinc/85/60/27/565856027.db2.gz UXYCFYLFAMVWSF-UHFFFAOYSA-N -1 3 385.745 3.321 20 0 GGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1scnc1COC ZINC000284490010 565856253 /nfs/dbraw/zinc/85/62/53/565856253.db2.gz ZMPKDGAPXVEBFU-UHFFFAOYSA-N -1 3 382.463 3.291 20 0 GGADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000177524707 565857320 /nfs/dbraw/zinc/85/73/20/565857320.db2.gz YCOZIDXEGWUTSM-ZHACJKMWSA-N -1 3 375.450 3.435 20 0 GGADHM C[C@@H](CC(F)F)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000413510800 565857273 /nfs/dbraw/zinc/85/72/73/565857273.db2.gz VTNFHDZFGMIYAL-ZETCQYMHSA-N -1 3 384.807 3.150 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2cncc(Br)c2)C2CC2)s1 ZINC000284537493 565857773 /nfs/dbraw/zinc/85/77/73/565857773.db2.gz DHXAODRXJHRCBO-ZDUSSCGKSA-N -1 3 388.312 3.039 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(NC([O-])=NOCC(C)(C)O)c1C ZINC000284630115 565862014 /nfs/dbraw/zinc/86/20/14/565862014.db2.gz BMFYSJHWWDMQLA-UHFFFAOYSA-N -1 3 397.273 3.076 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[N-]OCC(C)(C)O)c1C ZINC000284630115 565862018 /nfs/dbraw/zinc/86/20/18/565862018.db2.gz BMFYSJHWWDMQLA-UHFFFAOYSA-N -1 3 397.273 3.076 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1csc(-c2ccccc2)n1 ZINC000177661238 565865081 /nfs/dbraw/zinc/86/50/81/565865081.db2.gz YRZXNPGZHPWZAN-UHFFFAOYSA-N -1 3 380.516 3.401 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)sc1C ZINC000333107721 565865714 /nfs/dbraw/zinc/86/57/14/565865714.db2.gz DVHQWCOZEHMQNC-ZFWWWQNUSA-N -1 3 385.580 3.183 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc3c(cc2Br)CCC3)c(=O)[n-]1 ZINC000195207172 565866204 /nfs/dbraw/zinc/86/62/04/565866204.db2.gz ZLMVZSVSJXRFTK-UHFFFAOYSA-N -1 3 390.281 3.209 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)CCCC2)n1 ZINC000333096765 565866216 /nfs/dbraw/zinc/86/62/16/565866216.db2.gz BULKQZDMDXKMLA-ZDUSSCGKSA-N -1 3 380.539 3.293 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c(=O)[n-]1 ZINC000177682256 565866759 /nfs/dbraw/zinc/86/67/59/565866759.db2.gz VUKXKCQSOOZBFL-UHFFFAOYSA-N -1 3 380.275 3.211 20 0 GGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCOc4c(Cl)cccc43)cn21 ZINC000333174495 565868659 /nfs/dbraw/zinc/86/86/59/565868659.db2.gz OJHPKIHJKMLJSO-SMDDNHRTSA-N -1 3 381.885 3.236 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000177718729 565870361 /nfs/dbraw/zinc/87/03/61/565870361.db2.gz FEZSORHPVFCVMG-UHFFFAOYSA-N -1 3 399.255 3.491 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000333200500 565871966 /nfs/dbraw/zinc/87/19/66/565871966.db2.gz YXSYTXCYUNZJIP-GUYCJALGSA-N -1 3 379.551 3.091 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000177750512 565871886 /nfs/dbraw/zinc/87/18/86/565871886.db2.gz XOXNRAJDKLNVTN-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000333200501 565872028 /nfs/dbraw/zinc/87/20/28/565872028.db2.gz YXSYTXCYUNZJIP-SUMWQHHRSA-N -1 3 379.551 3.091 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)c(F)cc1Br ZINC000333229975 565872466 /nfs/dbraw/zinc/87/24/66/565872466.db2.gz XZPCTXCJRFITFJ-CABZTGNLSA-N -1 3 388.262 3.077 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)c(F)cc1Br ZINC000333229978 565872673 /nfs/dbraw/zinc/87/26/73/565872673.db2.gz XZPCTXCJRFITFJ-SKDRFNHKSA-N -1 3 388.262 3.077 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)c(F)cc1Br ZINC000333229973 565873078 /nfs/dbraw/zinc/87/30/78/565873078.db2.gz XZPCTXCJRFITFJ-BXKDBHETSA-N -1 3 388.262 3.077 20 0 GGADHM C[C@@]12CCCN1C[C@H](c1noc(-c3ccc(Br)cc3[O-])n1)OC2 ZINC000333277991 565874664 /nfs/dbraw/zinc/87/46/64/565874664.db2.gz OXGCZEAGTBZAEK-CJNGLKHVSA-N -1 3 380.242 3.131 20 0 GGADHM C[C@]12CCCN1C[C@@H](c1noc(-c3ccc(Br)cc3[O-])n1)OC2 ZINC000333277995 565874797 /nfs/dbraw/zinc/87/47/97/565874797.db2.gz OXGCZEAGTBZAEK-XJKSGUPXSA-N -1 3 380.242 3.131 20 0 GGADHM C[C@@]12CCCN1C[C@@H](c1noc(-c3ccc(Br)cc3[O-])n1)OC2 ZINC000333277989 565874833 /nfs/dbraw/zinc/87/48/33/565874833.db2.gz OXGCZEAGTBZAEK-BBRMVZONSA-N -1 3 380.242 3.131 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)c3cc4c(c(Br)c3)OCO4)[n-]2)o1 ZINC000177822431 565875422 /nfs/dbraw/zinc/87/54/22/565875422.db2.gz LNKFIYSCOBROOB-UHFFFAOYSA-N -1 3 391.181 3.117 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4c(c(Br)c3)OCO4)n2)o1 ZINC000177822431 565875428 /nfs/dbraw/zinc/87/54/28/565875428.db2.gz LNKFIYSCOBROOB-UHFFFAOYSA-N -1 3 391.181 3.117 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cc4c(c(Br)c3)OCO4)n[n-]2)o1 ZINC000177822431 565875432 /nfs/dbraw/zinc/87/54/32/565875432.db2.gz LNKFIYSCOBROOB-UHFFFAOYSA-N -1 3 391.181 3.117 20 0 GGADHM O=S(=O)(CCc1cccs1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000195375884 565878788 /nfs/dbraw/zinc/87/87/88/565878788.db2.gz LNYDWHSTEZMXKR-UHFFFAOYSA-N -1 3 383.882 3.114 20 0 GGADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000333385940 565879770 /nfs/dbraw/zinc/87/97/70/565879770.db2.gz CDZLPMGDKKDEJU-CYBMUJFWSA-N -1 3 378.519 3.296 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)C[C@@H]3CCCCC3(F)F)CCCCC2)no1 ZINC000333394769 565880441 /nfs/dbraw/zinc/88/04/41/565880441.db2.gz HPQMGTYRTVNJEF-ZDUSSCGKSA-N -1 3 377.457 3.282 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1nc(C(C)(C)C)no1 ZINC000333401139 565880761 /nfs/dbraw/zinc/88/07/61/565880761.db2.gz IQIPITXWHHLJIQ-KPPDAEKUSA-N -1 3 383.436 3.469 20 0 GGADHM CC(C)c1nc(C2([N-]S(=O)(=O)C[C@H]3CCCC3(F)F)CCCC2)no1 ZINC000333402038 565880788 /nfs/dbraw/zinc/88/07/88/565880788.db2.gz ITIGGWMQIOFOGP-GFCCVEGCSA-N -1 3 377.457 3.317 20 0 GGADHM CC(C)(O)CON=C([O-])Nc1ccnc(Oc2ccccc2Br)c1 ZINC000284985694 565881141 /nfs/dbraw/zinc/88/11/41/565881141.db2.gz YAJDISGAUUOWLR-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM CC(C)(O)CO[N-]C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000284985694 565881145 /nfs/dbraw/zinc/88/11/45/565881145.db2.gz YAJDISGAUUOWLR-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC(=O)Nc2ccc(Br)cc2C)n1 ZINC000177913733 565881460 /nfs/dbraw/zinc/88/14/60/565881460.db2.gz BKLCAZQBMQJJQH-GFCCVEGCSA-N -1 3 393.285 3.193 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(Cc3ccc(Br)s3)CC2)n1 ZINC000177914282 565881690 /nfs/dbraw/zinc/88/16/90/565881690.db2.gz ULQYBAUEPNGZCB-LBPRGKRZSA-N -1 3 397.342 3.193 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000285021137 565883702 /nfs/dbraw/zinc/88/37/02/565883702.db2.gz FGHIHTWNTRJBNS-OLZOCXBDSA-N -1 3 381.416 3.241 20 0 GGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2c(Br)cccc2C1 ZINC000195464051 565885958 /nfs/dbraw/zinc/88/59/58/565885958.db2.gz YLBZJTHLZGOILL-UHFFFAOYSA-N -1 3 383.245 3.489 20 0 GGADHM CN(C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C1CCCC1 ZINC000195462615 565885973 /nfs/dbraw/zinc/88/59/73/565885973.db2.gz NCVPPPNLGBNRBC-UHFFFAOYSA-N -1 3 384.548 3.303 20 0 GGADHM [O-]c1cccc(CN2CCC(c3nnc4n3CCCC4)CC2)c1Br ZINC000333565051 565888209 /nfs/dbraw/zinc/88/82/09/565888209.db2.gz HQMAIPIPUQROMK-UHFFFAOYSA-N -1 3 391.313 3.462 20 0 GGADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1c(C)cc(Br)cc1Cl ZINC000285121125 565889227 /nfs/dbraw/zinc/88/92/27/565889227.db2.gz NGSJSFMGOGUYCE-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000178019114 565889716 /nfs/dbraw/zinc/88/97/16/565889716.db2.gz PLPHBQZWZIJHIZ-NSHDSACASA-N -1 3 395.219 3.045 20 0 GGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000285134941 565890435 /nfs/dbraw/zinc/89/04/35/565890435.db2.gz RVERMJAUBCRXTQ-RDJZCZTQSA-N -1 3 383.901 3.067 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1Br ZINC000333636055 565890478 /nfs/dbraw/zinc/89/04/78/565890478.db2.gz BDVBAAOQLMXNGG-LLVKDONJSA-N -1 3 392.290 3.216 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)c1Cl ZINC000285134235 565890543 /nfs/dbraw/zinc/89/05/43/565890543.db2.gz AKXSWZJWSRZHOT-GFCCVEGCSA-N -1 3 377.297 3.106 20 0 GGADHM O=S1(=O)CCN(Cc2cccc([O-])c2Br)CC12CCCCC2 ZINC000333658037 565890849 /nfs/dbraw/zinc/89/08/49/565890849.db2.gz VXZOHOYSOHCDSF-UHFFFAOYSA-N -1 3 388.327 3.088 20 0 GGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000285153742 565891472 /nfs/dbraw/zinc/89/14/72/565891472.db2.gz SVAYKTRDIHBXLH-BBRMVZONSA-N -1 3 387.864 3.065 20 0 GGADHM Cc1cccc([C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)C(C)(C)C)c1 ZINC000178060069 565892989 /nfs/dbraw/zinc/89/29/89/565892989.db2.gz GXJWHHLFMNUUNB-KRWDZBQOSA-N -1 3 380.535 3.238 20 0 GGADHM Cc1cccc([C@@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)C(C)(C)C)c1 ZINC000178060090 565893128 /nfs/dbraw/zinc/89/31/28/565893128.db2.gz GXJWHHLFMNUUNB-QGZVFWFLSA-N -1 3 380.535 3.238 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1cccc(Br)c1F ZINC000333699332 565893589 /nfs/dbraw/zinc/89/35/89/565893589.db2.gz NRYLWJNLOHIRQI-LLVKDONJSA-N -1 3 392.290 3.216 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(Br)c(F)c1 ZINC000333702121 565893260 /nfs/dbraw/zinc/89/32/60/565893260.db2.gz OFVQSPYMHJJEMR-NSHDSACASA-N -1 3 392.290 3.216 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Br)c(F)c1 ZINC000333702119 565893340 /nfs/dbraw/zinc/89/33/40/565893340.db2.gz OFVQSPYMHJJEMR-LLVKDONJSA-N -1 3 392.290 3.216 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1nncn1C ZINC000285229493 565895536 /nfs/dbraw/zinc/89/55/36/565895536.db2.gz GXSYRVRDAFDOFW-LLVKDONJSA-N -1 3 396.822 3.163 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1nncn1C ZINC000285229494 565896146 /nfs/dbraw/zinc/89/61/46/565896146.db2.gz GXSYRVRDAFDOFW-NSHDSACASA-N -1 3 396.822 3.163 20 0 GGADHM CC(C)[C@@H]1N(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000333768648 565897020 /nfs/dbraw/zinc/89/70/20/565897020.db2.gz QXNNZLAAWFTNBU-ZBFHGGJFSA-N -1 3 384.567 3.232 20 0 GGADHM CN(C)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1cccs1 ZINC000178103792 565898029 /nfs/dbraw/zinc/89/80/29/565898029.db2.gz RWPBDEOMURYNDI-ZDUSSCGKSA-N -1 3 398.326 3.318 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1nncn1C ZINC000285336391 565901187 /nfs/dbraw/zinc/90/11/87/565901187.db2.gz OVXWJXXGMSSBLY-GFCCVEGCSA-N -1 3 396.822 3.163 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000285358335 565902585 /nfs/dbraw/zinc/90/25/85/565902585.db2.gz ZSXIWZOPENHEFA-HNNXBMFYSA-N -1 3 383.901 3.460 20 0 GGADHM C[C@@H](Cn1cccn1)NCc1cc(Br)c([O-])c(Br)c1 ZINC000221838941 565905020 /nfs/dbraw/zinc/90/50/20/565905020.db2.gz STLOOQISRRXXRA-VIFPVBQESA-N -1 3 389.091 3.292 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000178191273 565905292 /nfs/dbraw/zinc/90/52/92/565905292.db2.gz ZYGCYRCYKZLXFI-AWEZNQCLSA-N -1 3 381.523 3.076 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3cnn(C)c3C)s2)cs1 ZINC000178292509 565910971 /nfs/dbraw/zinc/91/09/71/565910971.db2.gz LHABAKBRDVVEBE-VIFPVBQESA-N -1 3 382.536 3.261 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCC(=O)OC(C)(C)C)s2)cs1 ZINC000178349367 565913263 /nfs/dbraw/zinc/91/32/63/565913263.db2.gz PEFOBOALHSYUOB-UHFFFAOYSA-N -1 3 388.536 3.190 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2occc2Br)CC1 ZINC000178352277 565914749 /nfs/dbraw/zinc/91/47/49/565914749.db2.gz GUNRQGIEHKZSIK-UHFFFAOYSA-N -1 3 393.237 3.239 20 0 GGADHM CC(C)(O)CON=C([O-])Nc1cc(Br)ccc1Br ZINC000285616947 565916972 /nfs/dbraw/zinc/91/69/72/565916972.db2.gz VQTYYWCREIZMOJ-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM CC(C)(O)CO[N-]C(=O)Nc1cc(Br)ccc1Br ZINC000285616947 565916978 /nfs/dbraw/zinc/91/69/78/565916978.db2.gz VQTYYWCREIZMOJ-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cc(F)cc2nn[n-]c21 ZINC000285636112 565917945 /nfs/dbraw/zinc/91/79/45/565917945.db2.gz FNURAWAHQDDKOL-AWEZNQCLSA-N -1 3 390.216 3.136 20 0 GGADHM O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cc(F)cc2[n-]nnc21 ZINC000285636112 565917952 /nfs/dbraw/zinc/91/79/52/565917952.db2.gz FNURAWAHQDDKOL-AWEZNQCLSA-N -1 3 390.216 3.136 20 0 GGADHM O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cc(F)cc2n[n-]nc21 ZINC000285636112 565917956 /nfs/dbraw/zinc/91/79/56/565917956.db2.gz FNURAWAHQDDKOL-AWEZNQCLSA-N -1 3 390.216 3.136 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)CC1 ZINC000414383625 565919157 /nfs/dbraw/zinc/91/91/57/565919157.db2.gz NPVYMGYIHPJJHH-UHFFFAOYSA-N -1 3 388.898 3.486 20 0 GGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000414382881 565919773 /nfs/dbraw/zinc/91/97/73/565919773.db2.gz PZFPLNJQSVTEKE-UHFFFAOYSA-N -1 3 377.388 3.058 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1F ZINC000414384598 565920334 /nfs/dbraw/zinc/92/03/34/565920334.db2.gz CNLYMRBZRJDMIZ-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cccnc2-c2ccc(C)s2)CC1 ZINC000414388029 565920391 /nfs/dbraw/zinc/92/03/91/565920391.db2.gz ZRALUYBLLWDHMD-UHFFFAOYSA-N -1 3 380.491 3.346 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)CC1 ZINC000414385949 565921320 /nfs/dbraw/zinc/92/13/20/565921320.db2.gz SDBBJLPHCKHESP-UHFFFAOYSA-N -1 3 394.262 3.124 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c(Cl)c(OC)c1 ZINC000414390927 565921577 /nfs/dbraw/zinc/92/15/77/565921577.db2.gz BFBVMDUOQMASKX-UHFFFAOYSA-N -1 3 385.825 3.195 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(Cl)c(OC)c1 ZINC000414391967 565922359 /nfs/dbraw/zinc/92/23/59/565922359.db2.gz DVNSSIMXGHBIMB-UHFFFAOYSA-N -1 3 383.853 3.483 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c(Cl)c(OC)c1 ZINC000414397560 565923778 /nfs/dbraw/zinc/92/37/78/565923778.db2.gz RUDHFUZASVHJKI-UHFFFAOYSA-N -1 3 387.841 3.175 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1nc(C)cs1 ZINC000178537260 565924182 /nfs/dbraw/zinc/92/41/82/565924182.db2.gz ZQVPCMYBJILQHD-LBPRGKRZSA-N -1 3 388.898 3.321 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000178521280 565924443 /nfs/dbraw/zinc/92/44/43/565924443.db2.gz UQYASBWFHJYBDK-OAHLLOKOSA-N -1 3 383.828 3.232 20 0 GGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000229183008 565925946 /nfs/dbraw/zinc/92/59/46/565925946.db2.gz DXHYWHHJBOKWJW-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CC(C)CCc1nc(CS(=O)(=O)Cc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000414415003 565926483 /nfs/dbraw/zinc/92/64/83/565926483.db2.gz OCVYGFXVBOBWGR-UHFFFAOYSA-N -1 3 381.523 3.220 20 0 GGADHM Cc1ccccc1OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178573935 565926537 /nfs/dbraw/zinc/92/65/37/565926537.db2.gz IORRONHRHVBEPD-UHFFFAOYSA-N -1 3 379.254 3.341 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc([C@H](F)c3ccc(Cl)cc3)no2)c1 ZINC000349645787 565927979 /nfs/dbraw/zinc/92/79/79/565927979.db2.gz MSPOMYXHGIBFLS-CYBMUJFWSA-N -1 3 382.804 3.215 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccnc1N1CCCC1 ZINC000178627253 565930190 /nfs/dbraw/zinc/93/01/90/565930190.db2.gz DBGLPHBLNUIZLD-UHFFFAOYSA-N -1 3 391.269 3.472 20 0 GGADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000178627337 565930454 /nfs/dbraw/zinc/93/04/54/565930454.db2.gz ZYABLNQBTFBUBK-UHFFFAOYSA-N -1 3 395.253 3.171 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(COc3ccsc3Cl)n2)cc1 ZINC000349927895 565930635 /nfs/dbraw/zinc/93/06/35/565930635.db2.gz JEIMOCVLMSJLCJ-UHFFFAOYSA-N -1 3 385.854 3.402 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(CC(F)(F)F)no2)cc(C(F)(F)F)c1 ZINC000349987404 565932158 /nfs/dbraw/zinc/93/21/58/565932158.db2.gz BVIOXUYPBHKRHH-UHFFFAOYSA-N -1 3 389.277 3.232 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1ccc(Br)c(Cl)c1 ZINC000178717213 565933880 /nfs/dbraw/zinc/93/38/80/565933880.db2.gz SJJVAHCLXCRVND-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000233962788 565934272 /nfs/dbraw/zinc/93/42/72/565934272.db2.gz WIIPEMXRZMRQLF-GMSGAONNSA-N -1 3 383.105 3.288 20 0 GGADHM COCc1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000178727952 565935640 /nfs/dbraw/zinc/93/56/40/565935640.db2.gz ALJPFKMZHVJOPV-UHFFFAOYSA-N -1 3 397.244 3.440 20 0 GGADHM CCc1c([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)onc1C(F)(F)F ZINC000414454381 565936114 /nfs/dbraw/zinc/93/61/14/565936114.db2.gz QJSOMNIEXAVMAM-UHFFFAOYSA-N -1 3 377.388 3.118 20 0 GGADHM C[C@H](CC[S@](C)=O)NCc1cc(Br)c([O-])c(Br)c1 ZINC000235435461 565936461 /nfs/dbraw/zinc/93/64/61/565936461.db2.gz BXHMJHFPCQRDQX-CVJBHZAOSA-N -1 3 399.148 3.164 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)OC(C)(C)C ZINC000235506997 565936550 /nfs/dbraw/zinc/93/65/50/565936550.db2.gz YCWRXLZCVVWFDE-QMMMGPOBSA-N -1 3 398.706 3.111 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1nccs1 ZINC000178784076 565937593 /nfs/dbraw/zinc/93/75/93/565937593.db2.gz NGLBKJQAEIRRSX-OAHLLOKOSA-N -1 3 388.898 3.187 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1ccc(Cl)c(Br)c1 ZINC000236489648 565937958 /nfs/dbraw/zinc/93/79/58/565937958.db2.gz OCKWXEKCXIKIKK-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(F)c1 ZINC000414470024 565938906 /nfs/dbraw/zinc/93/89/06/565938906.db2.gz HULISEIEVHHXJZ-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000414467703 565939149 /nfs/dbraw/zinc/93/91/49/565939149.db2.gz JAKCKEGPKNEANX-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM COc1cc(OCCN(C)C)ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000414475772 565940793 /nfs/dbraw/zinc/94/07/93/565940793.db2.gz VWEHYTQZRQOZHK-UHFFFAOYSA-N -1 3 384.523 3.115 20 0 GGADHM O=C(c1ccccc1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000178859180 565941948 /nfs/dbraw/zinc/94/19/48/565941948.db2.gz UMFJTQLINXUVMC-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000178861761 565942318 /nfs/dbraw/zinc/94/23/18/565942318.db2.gz SQFOXMVCUMRWQI-UHFFFAOYSA-N -1 3 388.898 3.185 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1cc(F)ccc1Br ZINC000178867687 565942851 /nfs/dbraw/zinc/94/28/51/565942851.db2.gz XUTVACARXPRIRJ-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM COc1ccc(CNCc2nccc(C(F)(F)F)n2)c(Br)c1[O-] ZINC000414503805 565942924 /nfs/dbraw/zinc/94/29/24/565942924.db2.gz JJVCQTOHBLAWOU-UHFFFAOYSA-N -1 3 392.175 3.262 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)o2)no1)c1ccc(Cl)s1 ZINC000350913992 565943191 /nfs/dbraw/zinc/94/31/91/565943191.db2.gz GIPYQICYOFRCPW-UHFFFAOYSA-N -1 3 380.234 3.176 20 0 GGADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000178921820 565946020 /nfs/dbraw/zinc/94/60/20/565946020.db2.gz DJYYRTQRAWGDNL-SNVBAGLBSA-N -1 3 388.308 3.450 20 0 GGADHM Cn1nc(-c2ccc(Cl)s2)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286185318 565947156 /nfs/dbraw/zinc/94/71/56/565947156.db2.gz VPPXJXVPVIHMNO-SSDOTTSWSA-N -1 3 378.763 3.179 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)o1 ZINC000178952810 565948625 /nfs/dbraw/zinc/94/86/25/565948625.db2.gz CAXIUTWNJWFBJY-OAHLLOKOSA-N -1 3 375.849 3.442 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000178983309 565950220 /nfs/dbraw/zinc/95/02/20/565950220.db2.gz DNBIWODUOSELIQ-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)Nc1ccc(Cl)cc1 ZINC000178978878 565950253 /nfs/dbraw/zinc/95/02/53/565950253.db2.gz BPLIRLCCVAMCIG-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM CCS[C@H]1CCC[C@H]1NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373142 565956150 /nfs/dbraw/zinc/95/61/50/565956150.db2.gz YTJNBSKMPGVICX-MNOVXSKESA-N -1 3 381.523 3.256 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cscc2Br)s1 ZINC000286462783 565961281 /nfs/dbraw/zinc/96/12/81/565961281.db2.gz NDINNHSWSDDLNC-UHFFFAOYSA-N -1 3 390.284 3.110 20 0 GGADHM C[C@@H](NCCCNC(=O)c1cccc([O-])c1)c1ncc(Br)s1 ZINC000179221977 565967314 /nfs/dbraw/zinc/96/73/14/565967314.db2.gz HKXKFWIGPMCKIO-SNVBAGLBSA-N -1 3 384.299 3.082 20 0 GGADHM O=S(=O)([N-]CCCN1CCCC1)c1c(Cl)cc(F)cc1Br ZINC000179308087 565971378 /nfs/dbraw/zinc/97/13/78/565971378.db2.gz QQSNABNKWGJOSS-UHFFFAOYSA-N -1 3 399.713 3.006 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1c(C)noc1C ZINC000179315909 565972647 /nfs/dbraw/zinc/97/26/47/565972647.db2.gz XKIVNUMBFMIBIN-CYBMUJFWSA-N -1 3 386.857 3.161 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CC[C@@H](C2CC2)C1 ZINC000362395375 565979116 /nfs/dbraw/zinc/97/91/16/565979116.db2.gz JEMKNVQJXMGTRT-CYBMUJFWSA-N -1 3 396.559 3.160 20 0 GGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000240627368 565984205 /nfs/dbraw/zinc/98/42/05/565984205.db2.gz ADMOMKJIVMYQRE-UHFFFAOYSA-N -1 3 395.278 3.142 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccccc1Br ZINC000242801039 565985085 /nfs/dbraw/zinc/98/50/85/565985085.db2.gz FDZFNEKGGCNNGO-UHFFFAOYSA-N -1 3 383.267 3.002 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000242847069 565985332 /nfs/dbraw/zinc/98/53/32/565985332.db2.gz FXKVMYAPHKVYHR-GFCCVEGCSA-N -1 3 379.869 3.262 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1ccc(Br)s1 ZINC000179504182 565985753 /nfs/dbraw/zinc/98/57/53/565985753.db2.gz JTRZGLMXTUJDOU-UHFFFAOYSA-N -1 3 382.251 3.408 20 0 GGADHM CC(C)Oc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000244039922 565986146 /nfs/dbraw/zinc/98/61/46/565986146.db2.gz SXYROJOLHLYDOJ-UHFFFAOYSA-N -1 3 388.898 3.106 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000243927991 565986444 /nfs/dbraw/zinc/98/64/44/565986444.db2.gz RTNLWNXEQKITJL-UHFFFAOYSA-N -1 3 398.250 3.146 20 0 GGADHM C[C@H]1Cc2ccccc2N1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000244009869 565986480 /nfs/dbraw/zinc/98/64/80/565986480.db2.gz SKDMOGLNDLJKEK-NSHDSACASA-N -1 3 399.299 3.250 20 0 GGADHM CC[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000243955508 565986496 /nfs/dbraw/zinc/98/64/96/565986496.db2.gz RZFQQVSJLBBVGB-LLVKDONJSA-N -1 3 379.309 3.063 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000244390134 565987165 /nfs/dbraw/zinc/98/71/65/565987165.db2.gz YFBVDOKRKWFAFH-UHFFFAOYSA-N -1 3 387.288 3.325 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000179543153 565987512 /nfs/dbraw/zinc/98/75/12/565987512.db2.gz IWMUWYYBPMRZSJ-LBPRGKRZSA-N -1 3 389.249 3.455 20 0 GGADHM COCCCON=C([O-])Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000287002734 565991959 /nfs/dbraw/zinc/99/19/59/565991959.db2.gz CGUCBWJSCJKRDZ-UHFFFAOYSA-N -1 3 387.259 3.057 20 0 GGADHM COCCCO[N-]C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000287002734 565991962 /nfs/dbraw/zinc/99/19/62/565991962.db2.gz CGUCBWJSCJKRDZ-UHFFFAOYSA-N -1 3 387.259 3.057 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1C(F)(F)F ZINC000245518439 565994070 /nfs/dbraw/zinc/99/40/70/565994070.db2.gz AQZACNMNIWEBDT-LERXQTSPSA-N -1 3 379.375 3.080 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000179631696 565995449 /nfs/dbraw/zinc/99/54/49/565995449.db2.gz RRQIWZHKTHGXBH-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM COCCCON=C([O-])Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000287106035 565997777 /nfs/dbraw/zinc/99/77/77/565997777.db2.gz NMDRQRCCHNZPDD-UHFFFAOYSA-N -1 3 397.273 3.341 20 0 GGADHM COCCCO[N-]C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000287106035 565997780 /nfs/dbraw/zinc/99/77/80/565997780.db2.gz NMDRQRCCHNZPDD-UHFFFAOYSA-N -1 3 397.273 3.341 20 0 GGADHM COCCc1ccnc(NC([O-])=NOCc2ccc(F)cc2Br)c1 ZINC000287141703 565999902 /nfs/dbraw/zinc/99/99/02/565999902.db2.gz AQIHOQWDZDSAIU-UHFFFAOYSA-N -1 3 398.232 3.425 20 0 GGADHM COCCc1ccnc(NC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC000287141703 565999904 /nfs/dbraw/zinc/99/99/04/565999904.db2.gz AQIHOQWDZDSAIU-UHFFFAOYSA-N -1 3 398.232 3.425 20 0 GGADHM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)[C@@H](CN)C1 ZINC000415507393 566001060 /nfs/dbraw/zinc/00/10/60/566001060.db2.gz CWYQTIYAJHTKLX-VHSXEESVSA-N -1 3 383.880 3.011 20 0 GGADHM C[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)[C@H]1CN ZINC000415508825 566001115 /nfs/dbraw/zinc/00/11/15/566001115.db2.gz GHVLTOWHPWNLNF-CABZTGNLSA-N -1 3 383.880 3.011 20 0 GGADHM COC(=O)c1cccc([N-]C(=O)c2c(F)cc(Br)cc2F)c1O ZINC000179716389 566002908 /nfs/dbraw/zinc/00/29/08/566002908.db2.gz NNPDQAHHAQUXIV-UHFFFAOYSA-N -1 3 386.148 3.472 20 0 GGADHM C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@H](CN)C1 ZINC000415628146 566009884 /nfs/dbraw/zinc/00/98/84/566009884.db2.gz DXPJLWOSCBYDCJ-KOLCDFICSA-N -1 3 383.880 3.011 20 0 GGADHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000363544551 566010004 /nfs/dbraw/zinc/01/00/04/566010004.db2.gz JRRCXISKZLTIOC-OAHLLOKOSA-N -1 3 393.285 3.243 20 0 GGADHM CC(C)CCN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179861249 566012929 /nfs/dbraw/zinc/01/29/29/566012929.db2.gz ITCSUKMSXJSGGZ-UHFFFAOYSA-N -1 3 398.244 3.251 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Br)ccc1Cl ZINC000246007614 566013636 /nfs/dbraw/zinc/01/36/36/566013636.db2.gz KEFLHYBMRLVBRO-CYZMBNFOSA-N -1 3 394.718 3.338 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000245987121 566013840 /nfs/dbraw/zinc/01/38/40/566013840.db2.gz HSFHVDHISCWDBH-IAOVAPTHSA-N -1 3 394.290 3.074 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc(Cl)ccc2F)CC1)c1cccs1 ZINC000179872714 566014314 /nfs/dbraw/zinc/01/43/14/566014314.db2.gz UQAONEUIZVSYEY-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179869743 566014588 /nfs/dbraw/zinc/01/45/88/566014588.db2.gz ILGLROYTDVNOAJ-NXEZZACHSA-N -1 3 398.244 3.297 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cl ZINC000246065542 566014626 /nfs/dbraw/zinc/01/46/26/566014626.db2.gz WZIOINQFXGMRES-BIMULSAOSA-N -1 3 380.293 3.238 20 0 GGADHM COC(=O)c1cc(NC([O-])=NO[C@@H]2CCCCO2)c(C)cc1Br ZINC000287375327 566014858 /nfs/dbraw/zinc/01/48/58/566014858.db2.gz KWANCFKPBHVWGI-CYBMUJFWSA-N -1 3 387.230 3.124 20 0 GGADHM COC(=O)c1cc(NC(=O)[N-]O[C@@H]2CCCCO2)c(C)cc1Br ZINC000287375327 566014865 /nfs/dbraw/zinc/01/48/65/566014865.db2.gz KWANCFKPBHVWGI-CYBMUJFWSA-N -1 3 387.230 3.124 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)o1 ZINC000179872483 566015144 /nfs/dbraw/zinc/01/51/44/566015144.db2.gz SGDUKXJIQNZHFZ-CJNGLKHVSA-N -1 3 380.535 3.407 20 0 GGADHM CCSc1cccc(Br)c1[N-]C(=O)c1cn(CCOC)nn1 ZINC000415713902 566015216 /nfs/dbraw/zinc/01/52/16/566015216.db2.gz XMGXOTIDHCNTMW-UHFFFAOYSA-N -1 3 385.287 3.051 20 0 GGADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000179908621 566018504 /nfs/dbraw/zinc/01/85/04/566018504.db2.gz MPZJADXBWWXXRZ-KBPBESRZSA-N -1 3 386.583 3.310 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000363747405 566019490 /nfs/dbraw/zinc/01/94/90/566019490.db2.gz GZVIJZSKZYXYBJ-CQSZACIVSA-N -1 3 383.286 3.113 20 0 GGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)[C@H]1C ZINC000179989632 566023768 /nfs/dbraw/zinc/02/37/68/566023768.db2.gz YJRYMJYDNCBJJV-UWVGGRQHSA-N -1 3 396.228 3.003 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000180065257 566029110 /nfs/dbraw/zinc/02/91/10/566029110.db2.gz PMRZNMGIIPDTJB-UHFFFAOYSA-N -1 3 377.315 3.221 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc(Br)c1[O-] ZINC000180059139 566029581 /nfs/dbraw/zinc/02/95/81/566029581.db2.gz BEPMCVRZPOOEEA-NWWHMJGGSA-N -1 3 396.281 3.106 20 0 GGADHM O=C([N-]Cc1nc(C(F)(F)F)cs1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180072468 566030243 /nfs/dbraw/zinc/03/02/43/566030243.db2.gz BTZQAUUPHIHZQI-UHFFFAOYSA-N -1 3 399.728 3.348 20 0 GGADHM COc1cc(/C=C/C(=O)NCC(C)(C)C[C@@H](C)O)cc(Br)c1[O-] ZINC000180100066 566033074 /nfs/dbraw/zinc/03/30/74/566033074.db2.gz KHUGIJGNJGCBPJ-MVIFTORASA-N -1 3 386.286 3.090 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(Br)s1 ZINC000246741424 566039706 /nfs/dbraw/zinc/03/97/06/566039706.db2.gz OGSLQGRJDDRXMJ-OASPWFOLSA-N -1 3 392.340 3.137 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000180177108 566041229 /nfs/dbraw/zinc/04/12/29/566041229.db2.gz DMTMTHZEVFBZMY-KGLIPLIRSA-N -1 3 390.889 3.361 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)c(F)c1 ZINC000180187346 566042378 /nfs/dbraw/zinc/04/23/78/566042378.db2.gz MNJRAGGSIFOMBD-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H]2CCO[C@H]21 ZINC000246831397 566042372 /nfs/dbraw/zinc/04/23/72/566042372.db2.gz UVGUZXUGOLSVOQ-OASPWFOLSA-N -1 3 394.718 3.194 20 0 GGADHM COc1cc(/C=C/C(=O)N(C)CCc2nccs2)cc(Br)c1[O-] ZINC000180188551 566042787 /nfs/dbraw/zinc/04/27/87/566042787.db2.gz QZERLFHHUMTBBS-ONEGZZNKSA-N -1 3 397.294 3.334 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)c(F)c1 ZINC000180187331 566042899 /nfs/dbraw/zinc/04/28/99/566042899.db2.gz MNJRAGGSIFOMBD-AWEZNQCLSA-N -1 3 379.787 3.423 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H]2CCO[C@H]21 ZINC000246881158 566044642 /nfs/dbraw/zinc/04/46/42/566044642.db2.gz LKCWFIKULBHGGG-ZWKOPEQDSA-N -1 3 394.718 3.194 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)CCCO1 ZINC000180831095 566092843 /nfs/dbraw/zinc/09/28/43/566092843.db2.gz WNDIDPGKPJWLTC-ZDUSSCGKSA-N -1 3 382.707 3.091 20 0 GGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cc(F)ccc3Br)nc12 ZINC000180248455 566048265 /nfs/dbraw/zinc/04/82/65/566048265.db2.gz LTXOQSNVNGWVOG-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1Cl ZINC000247006730 566048263 /nfs/dbraw/zinc/04/82/63/566048263.db2.gz QHAGXLSZWGQRQT-GFWSLJDESA-N -1 3 380.293 3.094 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1OC ZINC000180285756 566051632 /nfs/dbraw/zinc/05/16/32/566051632.db2.gz GODHUQSEEVMMAT-UHFFFAOYSA-N -1 3 381.212 3.346 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H](O)C(C)C ZINC000416617427 566096127 /nfs/dbraw/zinc/09/61/27/566096127.db2.gz IPVGQKMDGGPMQM-GXFFZTMASA-N -1 3 384.723 3.176 20 0 GGADHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(C2CC2)cc1 ZINC000416303392 566052812 /nfs/dbraw/zinc/05/28/12/566052812.db2.gz XVXSEOSGBNJQIR-ZDUSSCGKSA-N -1 3 378.519 3.171 20 0 GGADHM C[C@H]1[C@@H](C)N(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C[C@H]1C ZINC000416317744 566053396 /nfs/dbraw/zinc/05/33/96/566053396.db2.gz JMNUFKHGNOBZEO-JHJVBQTASA-N -1 3 398.575 3.405 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(Br)c1)CC(F)(F)F ZINC000416612414 566096456 /nfs/dbraw/zinc/09/64/56/566096456.db2.gz YUHJIZIXDYZFMP-SSDOTTSWSA-N -1 3 378.185 3.455 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H]2CCO[C@H]21 ZINC000247132360 566053701 /nfs/dbraw/zinc/05/37/01/566053701.db2.gz WRKWFBPJHOEUCK-ZWKOPEQDSA-N -1 3 394.718 3.194 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000247099977 566053716 /nfs/dbraw/zinc/05/37/16/566053716.db2.gz WHZIHPYUNQQGNU-APHBMKBZSA-N -1 3 395.297 3.302 20 0 GGADHM C[C@H]1[C@@H](C)N(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C[C@H]1C ZINC000416316196 566053767 /nfs/dbraw/zinc/05/37/67/566053767.db2.gz ARBLFTVBRAVSEV-GMTAPVOTSA-N -1 3 378.416 3.193 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)c([O-])c1 ZINC000180315520 566054029 /nfs/dbraw/zinc/05/40/29/566054029.db2.gz KGQVAQZBGKKUJN-UHFFFAOYSA-N -1 3 384.251 3.119 20 0 GGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000416317743 566054145 /nfs/dbraw/zinc/05/41/45/566054145.db2.gz JMNUFKHGNOBZEO-FRRDWIJNSA-N -1 3 398.575 3.405 20 0 GGADHM O=S(=O)(Cc1cccc(Br)c1)[N-]Cc1nc(C2CC2)cs1 ZINC000288079876 566055655 /nfs/dbraw/zinc/05/56/55/566055655.db2.gz JWXRNPCDXWIJMC-UHFFFAOYSA-N -1 3 387.324 3.403 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H](C)CCc1ccccc1 ZINC000416359363 566055955 /nfs/dbraw/zinc/05/59/55/566055955.db2.gz IPRILMJGSHRXIV-CYBMUJFWSA-N -1 3 381.881 3.426 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC(C)C)C(C)C)cc1F ZINC000180347058 566057079 /nfs/dbraw/zinc/05/70/79/566057079.db2.gz CMNCTSAMPOPFNX-UHFFFAOYSA-N -1 3 394.534 3.033 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@H]1C ZINC000416365808 566057442 /nfs/dbraw/zinc/05/74/42/566057442.db2.gz BFIWKARQJREVSY-TZMCWYRMSA-N -1 3 389.901 3.000 20 0 GGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000180360141 566058273 /nfs/dbraw/zinc/05/82/73/566058273.db2.gz QGVYRIQYZHAXHK-XVKPBYJWSA-N -1 3 386.704 3.337 20 0 GGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000180360162 566058335 /nfs/dbraw/zinc/05/83/35/566058335.db2.gz QGVYRIQYZHAXHK-XCBNKYQSSA-N -1 3 386.704 3.337 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1nc(C)cs1 ZINC000416384207 566060401 /nfs/dbraw/zinc/06/04/01/566060401.db2.gz HEQOIDHOWAYBAP-LLVKDONJSA-N -1 3 388.898 3.321 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)cs1 ZINC000416392384 566060913 /nfs/dbraw/zinc/06/09/13/566060913.db2.gz SGLLKQXMZKMYPI-VIFPVBQESA-N -1 3 390.914 3.416 20 0 GGADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCCC1)c1cnn2c1OCCC2 ZINC000416393686 566061216 /nfs/dbraw/zinc/06/12/16/566061216.db2.gz XOWNPUZEPABBGL-UHFFFAOYSA-N -1 3 381.885 3.067 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)cs1 ZINC000416392383 566061333 /nfs/dbraw/zinc/06/13/33/566061333.db2.gz SGLLKQXMZKMYPI-SECBINFHSA-N -1 3 390.914 3.416 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000416408439 566063454 /nfs/dbraw/zinc/06/34/54/566063454.db2.gz QCQJNJLTSZQXKT-HIFRSBDPSA-N -1 3 379.865 3.036 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000416408441 566063487 /nfs/dbraw/zinc/06/34/87/566063487.db2.gz QCQJNJLTSZQXKT-ZFWWWQNUSA-N -1 3 379.865 3.036 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000416408434 566063855 /nfs/dbraw/zinc/06/38/55/566063855.db2.gz QBXNNYNKZHWQJH-LLVKDONJSA-N -1 3 387.910 3.345 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](C)Cc1cccs1 ZINC000416408435 566063888 /nfs/dbraw/zinc/06/38/88/566063888.db2.gz QBXNNYNKZHWQJH-NSHDSACASA-N -1 3 387.910 3.345 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416413061 566065076 /nfs/dbraw/zinc/06/50/76/566065076.db2.gz DZTATGTZKMYWTP-NEPJUHHUSA-N -1 3 391.942 3.469 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416416281 566065112 /nfs/dbraw/zinc/06/51/12/566065112.db2.gz LLCWYVSOXRPPAC-NWDGAFQWSA-N -1 3 377.915 3.079 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)s1 ZINC000416415942 566065254 /nfs/dbraw/zinc/06/52/54/566065254.db2.gz UVDQUDJDKQQBHR-UHFFFAOYSA-N -1 3 393.303 3.394 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CCOCC1 ZINC000416436908 566068664 /nfs/dbraw/zinc/06/86/64/566068664.db2.gz FGJRQDZRSJAWSR-UHFFFAOYSA-N -1 3 380.279 3.134 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000247954015 566069238 /nfs/dbraw/zinc/06/92/38/566069238.db2.gz NLXJMSHVPAQOOU-UHFFFAOYSA-N -1 3 397.280 3.032 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c(F)cc1Br ZINC000416449559 566069783 /nfs/dbraw/zinc/06/97/83/566069783.db2.gz WELOEPXVTXSZDG-JTQLQIEISA-N -1 3 380.279 3.133 20 0 GGADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000416464028 566070469 /nfs/dbraw/zinc/07/04/69/566070469.db2.gz WLKFFOQODPHSNW-CABCVRRESA-N -1 3 389.851 3.164 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1C ZINC000416461339 566070507 /nfs/dbraw/zinc/07/05/07/566070507.db2.gz XQQIUXSSZJNLQD-ZBFHGGJFSA-N -1 3 383.901 3.005 20 0 GGADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000416464031 566070531 /nfs/dbraw/zinc/07/05/31/566070531.db2.gz WLKFFOQODPHSNW-LSDHHAIUSA-N -1 3 389.851 3.164 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416461521 566070766 /nfs/dbraw/zinc/07/07/66/566070766.db2.gz ZPQCCNKNVHIUFW-UHFFFAOYSA-N -1 3 382.295 3.238 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180556180 566072437 /nfs/dbraw/zinc/07/24/37/566072437.db2.gz XEQNQHQFTWLGJU-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)cn1C ZINC000416475108 566072635 /nfs/dbraw/zinc/07/26/35/566072635.db2.gz IPUIQVIMMRLIFZ-MRVPVSSYSA-N -1 3 382.433 3.058 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000364881119 566072862 /nfs/dbraw/zinc/07/28/62/566072862.db2.gz WLNPBJFWOLWSHS-HNNXBMFYSA-N -1 3 397.909 3.212 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000288449676 566074122 /nfs/dbraw/zinc/07/41/22/566074122.db2.gz QEKKXZKSGZLQGU-GFCCVEGCSA-N -1 3 378.475 3.144 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]Cc1nccs1 ZINC000180587042 566074829 /nfs/dbraw/zinc/07/48/29/566074829.db2.gz GBYAQAIPLYLDGN-UHFFFAOYSA-N -1 3 381.704 3.179 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C(F)(F)F ZINC000288478555 566075201 /nfs/dbraw/zinc/07/52/01/566075201.db2.gz SMCXZEOHIYEEGB-ZCFIWIBFSA-N -1 3 392.683 3.287 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000416491488 566075294 /nfs/dbraw/zinc/07/52/94/566075294.db2.gz YANJVSRLOXTUHY-SNVBAGLBSA-N -1 3 381.828 3.230 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180591109 566075958 /nfs/dbraw/zinc/07/59/58/566075958.db2.gz OEMPPXSYNHOYTB-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000416494893 566076357 /nfs/dbraw/zinc/07/63/57/566076357.db2.gz JVNVBYHZDWPULW-QGZVFWFLSA-N -1 3 387.567 3.078 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)sc1Br ZINC000416503362 566077548 /nfs/dbraw/zinc/07/75/48/566077548.db2.gz PPRITIHJBUUGFO-SNVBAGLBSA-N -1 3 382.345 3.303 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)c(Cl)c1Cl ZINC000416502400 566077775 /nfs/dbraw/zinc/07/77/75/566077775.db2.gz LQBNDWVAWVUDHQ-SNVBAGLBSA-N -1 3 382.309 3.486 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)cc1Cl ZINC000416504190 566077951 /nfs/dbraw/zinc/07/79/51/566077951.db2.gz SVJVYNOTUXPEEL-SNVBAGLBSA-N -1 3 382.309 3.486 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000416520890 566079970 /nfs/dbraw/zinc/07/99/70/566079970.db2.gz GYXDPPJAGGCWQK-SNVBAGLBSA-N -1 3 381.828 3.230 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)cc1 ZINC000180663308 566080938 /nfs/dbraw/zinc/08/09/38/566080938.db2.gz XGYIGAPAKFEVTL-UHFFFAOYSA-N -1 3 377.796 3.448 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)sc1Br ZINC000416524523 566081002 /nfs/dbraw/zinc/08/10/02/566081002.db2.gz GKFNDVNMKONCHS-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000416526186 566081065 /nfs/dbraw/zinc/08/10/65/566081065.db2.gz CRNOPLVMCNFDNR-UKRRQHHQSA-N -1 3 386.583 3.166 20 0 GGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000416524810 566081080 /nfs/dbraw/zinc/08/10/80/566081080.db2.gz NJUQADVIDPCJJO-UHFFFAOYSA-N -1 3 385.507 3.171 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000416526868 566081146 /nfs/dbraw/zinc/08/11/46/566081146.db2.gz OVLLXYTWHYFNNM-UHFFFAOYSA-N -1 3 381.828 3.230 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000416524425 566081381 /nfs/dbraw/zinc/08/13/81/566081381.db2.gz LSCSDUZITFPVPA-HDJSIYSDSA-N -1 3 379.865 3.351 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC)c2nc(C)cs2)c1 ZINC000180689714 566081946 /nfs/dbraw/zinc/08/19/46/566081946.db2.gz DHTJIKNONBGEKS-CQSZACIVSA-N -1 3 386.470 3.197 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC)c2nc(C)cs2)c1 ZINC000180689699 566082135 /nfs/dbraw/zinc/08/21/35/566082135.db2.gz DHTJIKNONBGEKS-AWEZNQCLSA-N -1 3 386.470 3.197 20 0 GGADHM O=C(NCCCn1cc(Br)cn1)c1cc([O-])ccc1C(F)(F)F ZINC000288622725 566082544 /nfs/dbraw/zinc/08/25/44/566082544.db2.gz ONPCCNUZPLDXFU-UHFFFAOYSA-N -1 3 392.175 3.190 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000416542376 566084574 /nfs/dbraw/zinc/08/45/74/566084574.db2.gz CRVSQHRCQJPEOI-KDOFPFPSSA-N -1 3 386.583 3.166 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1F ZINC000180731857 566084660 /nfs/dbraw/zinc/08/46/60/566084660.db2.gz LODXVIDABBAEFK-ZBFHGGJFSA-N -1 3 375.343 3.052 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2csc(CC)n2)c1 ZINC000180720665 566084697 /nfs/dbraw/zinc/08/46/97/566084697.db2.gz ZNESFYILRWREPX-JTQLQIEISA-N -1 3 386.470 3.061 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000416545369 566084792 /nfs/dbraw/zinc/08/47/92/566084792.db2.gz QMACFEZWVHAFOH-UHFFFAOYSA-N -1 3 382.707 3.338 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000416545356 566084904 /nfs/dbraw/zinc/08/49/04/566084904.db2.gz QGSHXXZODLBNOV-UHFFFAOYSA-N -1 3 380.279 3.133 20 0 GGADHM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000416549236 566085554 /nfs/dbraw/zinc/08/55/54/566085554.db2.gz CQYPOPGQUIMYPA-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000416551141 566085598 /nfs/dbraw/zinc/08/55/98/566085598.db2.gz RWDFCGPEVHQOKI-JTQLQIEISA-N -1 3 377.409 3.221 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000180746903 566085649 /nfs/dbraw/zinc/08/56/49/566085649.db2.gz BXOSWAWOROCADJ-BXUZGUMPSA-N -1 3 379.837 3.488 20 0 GGADHM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000416561025 566086908 /nfs/dbraw/zinc/08/69/08/566086908.db2.gz SVECAQKOFZXTRJ-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccn(C)n1 ZINC000416555847 566087098 /nfs/dbraw/zinc/08/70/98/566087098.db2.gz FKPJVUKXEUBGPV-SSDOTTSWSA-N -1 3 396.669 3.015 20 0 GGADHM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000416558858 566087344 /nfs/dbraw/zinc/08/73/44/566087344.db2.gz PPRVVGXZWABXMX-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000416557028 566087481 /nfs/dbraw/zinc/08/74/81/566087481.db2.gz MSVTYEYGKVVNQP-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)c(Br)c1 ZINC000416563493 566088637 /nfs/dbraw/zinc/08/86/37/566088637.db2.gz YQUPZXJHEUGIRW-HNNXBMFYSA-N -1 3 388.283 3.013 20 0 GGADHM Cc1oc(C(=O)[N-]c2ncsc2C(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000288771384 566089833 /nfs/dbraw/zinc/08/98/33/566089833.db2.gz GHSKMXQPDLALFE-UHFFFAOYSA-N -1 3 383.495 3.205 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1nccs1 ZINC000416582992 566090497 /nfs/dbraw/zinc/09/04/97/566090497.db2.gz XIIHGNNBPJTYGC-NSHDSACASA-N -1 3 390.914 3.251 20 0 GGADHM CCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)n1 ZINC000416583284 566090717 /nfs/dbraw/zinc/09/07/17/566090717.db2.gz MHMXJMUQWASTGX-UHFFFAOYSA-N -1 3 383.901 3.214 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)CC(F)(F)F ZINC000416584082 566090786 /nfs/dbraw/zinc/09/07/86/566090786.db2.gz ANNZPNIEBSZEGQ-VIFPVBQESA-N -1 3 377.388 3.357 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000416591039 566091641 /nfs/dbraw/zinc/09/16/41/566091641.db2.gz KJDFBDWPAFZXKW-LKFCYVNXSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccs1 ZINC000180826622 566091869 /nfs/dbraw/zinc/09/18/69/566091869.db2.gz BSEZODVHVXTFMJ-SNVBAGLBSA-N -1 3 383.470 3.211 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)CC(F)(F)F ZINC000416588815 566091897 /nfs/dbraw/zinc/09/18/97/566091897.db2.gz FJCWCVWVSASOQQ-ZDUSSCGKSA-N -1 3 375.416 3.188 20 0 GGADHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000416591340 566091973 /nfs/dbraw/zinc/09/19/73/566091973.db2.gz UHEFJPRKDBTLAM-CYBMUJFWSA-N -1 3 375.918 3.470 20 0 GGADHM CC(C)(CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)S(C)(=O)=O ZINC000416597430 566092385 /nfs/dbraw/zinc/09/23/85/566092385.db2.gz NWSZWJUQUCNGLN-UHFFFAOYSA-N -1 3 395.955 3.046 20 0 GGADHM CCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000416595673 566092772 /nfs/dbraw/zinc/09/27/72/566092772.db2.gz YLDXWGXGHCQQSX-UHFFFAOYSA-N -1 3 383.901 3.214 20 0 GGADHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000416595220 566093168 /nfs/dbraw/zinc/09/31/68/566093168.db2.gz QGLAGYVVPHRMSD-ZIAGYGMSSA-N -1 3 380.279 3.158 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180843115 566093198 /nfs/dbraw/zinc/09/31/98/566093198.db2.gz BNAMAKSWUCVFGG-UHFFFAOYSA-N -1 3 396.147 3.255 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CC1 ZINC000416602739 566093528 /nfs/dbraw/zinc/09/35/28/566093528.db2.gz RWWQADCYBVJMOS-YMTOWFKASA-N -1 3 380.279 3.070 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416600936 566093801 /nfs/dbraw/zinc/09/38/01/566093801.db2.gz YFHOZFWDZZRATM-ZIAGYGMSSA-N -1 3 379.881 3.314 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@H](C)O1 ZINC000416608630 566094727 /nfs/dbraw/zinc/09/47/27/566094727.db2.gz RZWZBHHOBSNOKJ-UTLUCORTSA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C)O1 ZINC000416608816 566095131 /nfs/dbraw/zinc/09/51/31/566095131.db2.gz SOTAQWNBOIUNRK-KXUCPTDWSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000416607282 566095372 /nfs/dbraw/zinc/09/53/72/566095372.db2.gz YSNRZPVJBSFCSY-YMTOWFKASA-N -1 3 385.379 3.206 20 0 GGADHM COCCOc1c(Cl)cc(NC(=O)[N-]OCCCC(=O)OC)cc1Cl ZINC000288903953 566096487 /nfs/dbraw/zinc/09/64/87/566096487.db2.gz SKJVKEWNUYOSPY-UHFFFAOYSA-N -1 3 395.239 3.025 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000416619370 566096615 /nfs/dbraw/zinc/09/66/15/566096615.db2.gz FKKWMUJTXJJNGR-CYBMUJFWSA-N -1 3 393.933 3.236 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H](O)C(C)C ZINC000416619626 566096707 /nfs/dbraw/zinc/09/67/07/566096707.db2.gz KMCPKVHZXKAUNI-DGCLKSJQSA-N -1 3 384.723 3.176 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000416621271 566097273 /nfs/dbraw/zinc/09/72/73/566097273.db2.gz SYUXNUNDCDLXQY-SECBINFHSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H](O)C(C)C ZINC000416621530 566097632 /nfs/dbraw/zinc/09/76/32/566097632.db2.gz LQHCIMBLUQPTAF-YPMHNXCESA-N -1 3 384.723 3.176 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000416628620 566097664 /nfs/dbraw/zinc/09/76/64/566097664.db2.gz XXFSGESESGHBLN-UHFFFAOYSA-N -1 3 393.933 3.237 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H](O)C(C)C ZINC000416621526 566097799 /nfs/dbraw/zinc/09/77/99/566097799.db2.gz LQHCIMBLUQPTAF-DGCLKSJQSA-N -1 3 384.723 3.176 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)c1csnn1 ZINC000416629844 566098360 /nfs/dbraw/zinc/09/83/60/566098360.db2.gz HNAJQTJRIFURHE-SSDOTTSWSA-N -1 3 396.719 3.135 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccnc1 ZINC000416634947 566098616 /nfs/dbraw/zinc/09/86/16/566098616.db2.gz SBQFRTFTOSCQCM-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1ccc(Br)cc1Br ZINC000416640763 566099672 /nfs/dbraw/zinc/09/96/72/566099672.db2.gz CNMAQHOMCQOYBX-QMMMGPOBSA-N -1 3 395.116 3.290 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000416641728 566099850 /nfs/dbraw/zinc/09/98/50/566099850.db2.gz BYCUHPXZOXOQKU-ZBFHGGJFSA-N -1 3 387.929 3.348 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n[n-]1 ZINC000180924305 566100411 /nfs/dbraw/zinc/10/04/11/566100411.db2.gz XMGAWTIQPHYNOX-SNVBAGLBSA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)[n-]n1 ZINC000180924305 566100416 /nfs/dbraw/zinc/10/04/16/566100416.db2.gz XMGAWTIQPHYNOX-SNVBAGLBSA-N -1 3 396.241 3.063 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000180972001 566103818 /nfs/dbraw/zinc/10/38/18/566103818.db2.gz YGLPPOVFCJTQAN-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)s1 ZINC000289094867 566105645 /nfs/dbraw/zinc/10/56/45/566105645.db2.gz GXSCRJVNXINHHP-LBPRGKRZSA-N -1 3 398.344 3.031 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000180998507 566105808 /nfs/dbraw/zinc/10/58/08/566105808.db2.gz MGOYOPUAZSLVCO-CYBMUJFWSA-N -1 3 380.231 3.337 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(F)c(Br)c1 ZINC000181009116 566105886 /nfs/dbraw/zinc/10/58/86/566105886.db2.gz ZWEHBIZIOXBLDF-UHFFFAOYSA-N -1 3 399.216 3.497 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cc(F)ccc1Br ZINC000181027618 566106778 /nfs/dbraw/zinc/10/67/78/566106778.db2.gz NCLCAALKLWGDIV-UHFFFAOYSA-N -1 3 399.216 3.497 20 0 GGADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000365564312 566108611 /nfs/dbraw/zinc/10/86/11/566108611.db2.gz WGPQSAAROARPRY-UHFFFAOYSA-N -1 3 379.507 3.067 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000365570454 566108703 /nfs/dbraw/zinc/10/87/03/566108703.db2.gz VLSXCYGURVEXAC-MRXNPFEDSA-N -1 3 382.844 3.438 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000181108390 566115815 /nfs/dbraw/zinc/11/58/15/566115815.db2.gz HXJXKZDMQZZQOS-LBPRGKRZSA-N -1 3 387.237 3.436 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1occc1Br ZINC000365783921 566118299 /nfs/dbraw/zinc/11/82/99/566118299.db2.gz QSVURABZMKQHEF-UHFFFAOYSA-N -1 3 381.617 3.165 20 0 GGADHM COc1cc(I)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417034695 566120476 /nfs/dbraw/zinc/12/04/76/566120476.db2.gz JEOPPKXJWMUMQI-UHFFFAOYSA-N -1 3 397.216 3.285 20 0 GGADHM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)/C=C/c2ccccc2Cl)no1 ZINC000289542650 566127617 /nfs/dbraw/zinc/12/76/17/566127617.db2.gz NSGWZANUEWLFAO-IDVQTMNDSA-N -1 3 385.873 3.299 20 0 GGADHM CSc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289545014 566128398 /nfs/dbraw/zinc/12/83/98/566128398.db2.gz POIPUTLHNBPKET-NSHDSACASA-N -1 3 375.416 3.331 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)c1F ZINC000181290895 566130173 /nfs/dbraw/zinc/13/01/73/566130173.db2.gz BMJCWBHEFMOJTM-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ncccc2Br)c(C)c1F ZINC000181329469 566132227 /nfs/dbraw/zinc/13/22/27/566132227.db2.gz BOMWLPSBKBYNKP-UHFFFAOYSA-N -1 3 375.219 3.101 20 0 GGADHM COc1cc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1Cl ZINC000417182585 566132362 /nfs/dbraw/zinc/13/23/62/566132362.db2.gz SMDHYOLWDYOCCH-XMMPIXPASA-N -1 3 380.775 3.312 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc2cccc(Cl)c2n1 ZINC000181336529 566133524 /nfs/dbraw/zinc/13/35/24/566133524.db2.gz BRCPSNTVETYGTR-UHFFFAOYSA-N -1 3 395.893 3.257 20 0 GGADHM COc1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c(Br)c1[O-] ZINC000289671389 566134481 /nfs/dbraw/zinc/13/44/81/566134481.db2.gz NNQQMXDNXZJNGR-CQSZACIVSA-N -1 3 398.219 3.443 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(Cl)c2)no1 ZINC000417231139 566139651 /nfs/dbraw/zinc/13/96/51/566139651.db2.gz MMDGHWWVMIHRNC-SECBINFHSA-N -1 3 382.829 3.034 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1cccs1 ZINC000289797404 566140043 /nfs/dbraw/zinc/14/00/43/566140043.db2.gz JCNQBSQEKRYJAL-CQSZACIVSA-N -1 3 391.461 3.388 20 0 GGADHM COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1[O-] ZINC000289891991 566145266 /nfs/dbraw/zinc/14/52/66/566145266.db2.gz WMRUDQZKMOQQNY-GHMZBOCLSA-N -1 3 398.219 3.156 20 0 GGADHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@@H]2CCCO[C@@H]21 ZINC000366295936 566145904 /nfs/dbraw/zinc/14/59/04/566145904.db2.gz OTPYDAQRDNKQEO-GLQYFDAESA-N -1 3 383.286 3.158 20 0 GGADHM COc1cc(Br)c(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1OC ZINC000262072580 566146012 /nfs/dbraw/zinc/14/60/12/566146012.db2.gz DCTRGBOOEAVWRW-YVEFUNNKSA-N -1 3 384.270 3.153 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262155477 566146951 /nfs/dbraw/zinc/14/69/51/566146951.db2.gz NLVNYSUIITZZRF-SCLBCKFNSA-N -1 3 385.291 3.139 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000181601745 566151975 /nfs/dbraw/zinc/15/19/75/566151975.db2.gz JQRLXDZNPRVAMP-RDJZCZTQSA-N -1 3 383.901 3.001 20 0 GGADHM Cc1nnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000290000356 566152325 /nfs/dbraw/zinc/15/23/25/566152325.db2.gz WRHKTSOLCWVDRN-UHFFFAOYSA-N -1 3 385.820 3.040 20 0 GGADHM COc1ccc(CNCCc2ccc(OCC(=O)[O-])cc2)c(Br)c1 ZINC000417536866 566155535 /nfs/dbraw/zinc/15/55/35/566155535.db2.gz RIXDPSPQYMYUKI-UHFFFAOYSA-N -1 3 394.265 3.253 20 0 GGADHM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1cnn(CC(F)F)c1 ZINC000417557130 566156596 /nfs/dbraw/zinc/15/65/96/566156596.db2.gz ATZRGEOUSJUOSF-CYBMUJFWSA-N -1 3 378.206 3.241 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1cscc1Br ZINC000417560578 566157528 /nfs/dbraw/zinc/15/75/28/566157528.db2.gz ACJVFHBBLDAHOI-LBPRGKRZSA-N -1 3 384.251 3.025 20 0 GGADHM COc1cc(Br)c(CN[C@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000262693978 566157682 /nfs/dbraw/zinc/15/76/82/566157682.db2.gz HDGXINACIXFLIR-OAHLLOKOSA-N -1 3 394.265 3.252 20 0 GGADHM CC(C)(C)C[C@@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417566451 566158284 /nfs/dbraw/zinc/15/82/84/566158284.db2.gz IGJXQRHNVNWESZ-GFCCVEGCSA-N -1 3 379.213 3.409 20 0 GGADHM Cc1csc(CN[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])n1 ZINC000417563019 566158882 /nfs/dbraw/zinc/15/88/82/566158882.db2.gz MWPWWEHCIHFHKT-ZDUSSCGKSA-N -1 3 394.294 3.481 20 0 GGADHM CSc1c(F)cc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)cc1F ZINC000181691473 566159794 /nfs/dbraw/zinc/15/97/94/566159794.db2.gz KQDUZDSPJVUKAL-UHFFFAOYSA-N -1 3 392.474 3.251 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1Br ZINC000366575594 566159821 /nfs/dbraw/zinc/15/98/21/566159821.db2.gz FZOKUKGAMWBPKT-WCQYABFASA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262747417 566160418 /nfs/dbraw/zinc/16/04/18/566160418.db2.gz AQURJUARCYGVEM-RFAUZJTJSA-N -1 3 378.778 3.482 20 0 GGADHM Cc1cnc(CN[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])s1 ZINC000417569872 566160524 /nfs/dbraw/zinc/16/05/24/566160524.db2.gz VQRDRCAMBKJLPZ-ZDUSSCGKSA-N -1 3 394.294 3.481 20 0 GGADHM Cc1cnc(CN[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])s1 ZINC000417569871 566160764 /nfs/dbraw/zinc/16/07/64/566160764.db2.gz VQRDRCAMBKJLPZ-CYBMUJFWSA-N -1 3 394.294 3.481 20 0 GGADHM O=C([O-])CC1(CNCc2ccc(F)cc2I)CCC1 ZINC000417571282 566160903 /nfs/dbraw/zinc/16/09/03/566160903.db2.gz SPGKVDYETJAORX-UHFFFAOYSA-N -1 3 377.197 3.165 20 0 GGADHM CC[C@@]1(C[N-]S(=O)(=O)Cc2ccc(Cl)nc2)OCCc2ccccc21 ZINC000290214699 566161865 /nfs/dbraw/zinc/16/18/65/566161865.db2.gz OANSZOAVLKCCSP-SFHVURJKSA-N -1 3 380.897 3.033 20 0 GGADHM COc1c(Br)cc(Br)cc1CNC[C@H](C)C(=O)[O-] ZINC000417580132 566162738 /nfs/dbraw/zinc/16/27/38/566162738.db2.gz CLWIPAUXMGOMMA-ZETCQYMHSA-N -1 3 381.064 3.031 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cs1 ZINC000290243873 566163456 /nfs/dbraw/zinc/16/34/56/566163456.db2.gz ZJESCIGORCHFMN-UHFFFAOYSA-N -1 3 381.306 3.216 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN([C@H](C)c2ccccc2Br)CC1 ZINC000262865185 566163807 /nfs/dbraw/zinc/16/38/07/566163807.db2.gz UNCBCAFNXTXAKX-HIFRSBDPSA-N -1 3 397.313 3.298 20 0 GGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000417588981 566164653 /nfs/dbraw/zinc/16/46/53/566164653.db2.gz UVFAGMIJDZCGKJ-YGRLFVJLSA-N -1 3 386.286 3.130 20 0 GGADHM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1Br)[C@H]1CCOC1 ZINC000417598249 566165384 /nfs/dbraw/zinc/16/53/84/566165384.db2.gz YHYUENADCNBDMO-QPUJVOFHSA-N -1 3 382.176 3.047 20 0 GGADHM O=C([O-])[C@H](CC(F)F)NCc1cc(Br)cc(Br)c1 ZINC000417593068 566166163 /nfs/dbraw/zinc/16/61/63/566166163.db2.gz JTWVIJKNAXKKHS-VIFPVBQESA-N -1 3 387.018 3.410 20 0 GGADHM O=C([O-])C1(CNCc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000417608879 566166579 /nfs/dbraw/zinc/16/65/79/566166579.db2.gz JPGUPHNBASCBOF-UHFFFAOYSA-N -1 3 391.265 3.378 20 0 GGADHM COc1c(Br)cc(Br)cc1CNCC1(C(=O)[O-])CC1 ZINC000417606586 566166722 /nfs/dbraw/zinc/16/67/22/566166722.db2.gz FOUBORBLYMJKCJ-UHFFFAOYSA-N -1 3 393.075 3.175 20 0 GGADHM CC(C)(C)OC[C@H](NCc1ccc(OC(F)F)c(Br)c1)C(=O)[O-] ZINC000417602832 566167002 /nfs/dbraw/zinc/16/70/02/566167002.db2.gz WTSHFWINULUZFY-NSHDSACASA-N -1 3 396.228 3.408 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@@H](C(=O)[O-])C1CC1 ZINC000417611156 566167382 /nfs/dbraw/zinc/16/73/82/566167382.db2.gz UUASPCFCRYSEJF-LLVKDONJSA-N -1 3 393.075 3.173 20 0 GGADHM COc1cccc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])c1OC ZINC000417601256 566167458 /nfs/dbraw/zinc/16/74/58/566167458.db2.gz HTQQFAWEUQALFD-OAHLLOKOSA-N -1 3 394.265 3.252 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417612527 566167481 /nfs/dbraw/zinc/16/74/81/566167481.db2.gz BYGSZWRFZGMGAL-DOMZBBRYSA-N -1 3 376.254 3.062 20 0 GGADHM CCCOc1c(Br)cc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1OC ZINC000417627303 566168217 /nfs/dbraw/zinc/16/82/17/566168217.db2.gz UORLXPNPVOEQDO-QWHCGFSZSA-N -1 3 384.270 3.365 20 0 GGADHM O=C([O-])[C@H]1C=C[C@H](NCc2cc(Br)cc(Br)c2)C1 ZINC000417620005 566168478 /nfs/dbraw/zinc/16/84/78/566168478.db2.gz LDROHQAGPCZTIE-CABZTGNLSA-N -1 3 375.060 3.331 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cc(Br)cs1)C(=O)[O-] ZINC000417629936 566168725 /nfs/dbraw/zinc/16/87/25/566168725.db2.gz WGAFYPAEZOZZKX-LLVKDONJSA-N -1 3 378.288 3.175 20 0 GGADHM CSc1cc2c(cc1CN[C@@H](CSCC=C(C)C)C(=O)[O-])OCCO2 ZINC000417630206 566168761 /nfs/dbraw/zinc/16/87/61/566168761.db2.gz UESBEILSJGYXJG-AWEZNQCLSA-N -1 3 383.535 3.422 20 0 GGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(Br)c(Br)c2)C1 ZINC000417625149 566168807 /nfs/dbraw/zinc/16/88/07/566168807.db2.gz REXZYBGCZLCZIW-VHSXEESVSA-N -1 3 375.060 3.331 20 0 GGADHM Cc1cc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])ccc1Br ZINC000417623565 566168905 /nfs/dbraw/zinc/16/89/05/566168905.db2.gz NPHHIYZGPXDEKC-CQSZACIVSA-N -1 3 386.286 3.422 20 0 GGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2ccc(Br)c(Br)c2)C1 ZINC000417625147 566169037 /nfs/dbraw/zinc/16/90/37/566169037.db2.gz REXZYBGCZLCZIW-NXEZZACHSA-N -1 3 375.060 3.331 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263011028 566169297 /nfs/dbraw/zinc/16/92/97/566169297.db2.gz BUCWVESHMSZGLV-JSGCOSHPSA-N -1 3 392.297 3.486 20 0 GGADHM O=C([O-])[C@@H](CNCc1ccc(Br)o1)Cc1cc(F)c(F)c(F)c1 ZINC000417639916 566169465 /nfs/dbraw/zinc/16/94/65/566169465.db2.gz VDNOIKAOMNUCCC-SECBINFHSA-N -1 3 392.171 3.493 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000417659144 566171254 /nfs/dbraw/zinc/17/12/54/566171254.db2.gz HJUNPEHRXNDHFH-LBPRGKRZSA-N -1 3 392.677 3.377 20 0 GGADHM Cc1cc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])sc1Br ZINC000417660519 566171334 /nfs/dbraw/zinc/17/13/34/566171334.db2.gz INSLTYWNTMJGNV-JTQLQIEISA-N -1 3 378.288 3.094 20 0 GGADHM COc1ccc(Br)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000181886437 566171454 /nfs/dbraw/zinc/17/14/54/566171454.db2.gz WEUOAVSMCCSTBJ-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000181886437 566171458 /nfs/dbraw/zinc/17/14/58/566171458.db2.gz WEUOAVSMCCSTBJ-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1ccc(Br)c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000181886437 566171460 /nfs/dbraw/zinc/17/14/60/566171460.db2.gz WEUOAVSMCCSTBJ-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(F)cc1I ZINC000417702695 566172129 /nfs/dbraw/zinc/17/21/29/566172129.db2.gz KRDJPJQPUDCXCU-CYBMUJFWSA-N -1 3 377.197 3.163 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccccc2CC(F)(F)F)CCCC1 ZINC000290538208 566178200 /nfs/dbraw/zinc/17/82/00/566178200.db2.gz OYSRFWTTYKJJEN-UHFFFAOYSA-N -1 3 379.400 3.267 20 0 GGADHM CCOc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1[O-] ZINC000263384617 566183185 /nfs/dbraw/zinc/18/31/85/566183185.db2.gz CNOQPDDUGDLRFE-OAHLLOKOSA-N -1 3 394.265 3.339 20 0 GGADHM C[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000263388517 566183269 /nfs/dbraw/zinc/18/32/69/566183269.db2.gz YIJFNOWQGGUCCN-IAQYHMDHSA-N -1 3 376.254 3.059 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnnn2-c2ccc(Br)cc2)n1 ZINC000182188138 566187848 /nfs/dbraw/zinc/18/78/48/566187848.db2.gz LEBATFZYHSIJKH-SECBINFHSA-N -1 3 393.270 3.082 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(Br)c3c(c1)OCCCO3)C2 ZINC000263535178 566189047 /nfs/dbraw/zinc/18/90/47/566189047.db2.gz YUDNXLMTXPAWKH-SCLBCKFNSA-N -1 3 396.281 3.297 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc3c(cc1Br)OCCCO3)C2 ZINC000263561646 566190296 /nfs/dbraw/zinc/19/02/96/566190296.db2.gz CFCYFVPOHYFZNI-SCLBCKFNSA-N -1 3 396.281 3.297 20 0 GGADHM O=C([O-])[C@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000263578349 566191510 /nfs/dbraw/zinc/19/15/10/566191510.db2.gz SNVWSNLJOWOBEW-ZDUSSCGKSA-N -1 3 376.254 3.203 20 0 GGADHM O=S(=O)(CCCOCc1ccccc1)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000290851239 566192682 /nfs/dbraw/zinc/19/26/82/566192682.db2.gz WOEDGWNFIYBGJA-UHFFFAOYSA-N -1 3 394.440 3.188 20 0 GGADHM O=C(CCc1ccc(Cl)s1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000263689574 566192786 /nfs/dbraw/zinc/19/27/86/566192786.db2.gz MLWAMXKASGCFLJ-UHFFFAOYSA-N -1 3 378.881 3.024 20 0 GGADHM CCc1nc([N-]C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)n[nH]1 ZINC000182254579 566192942 /nfs/dbraw/zinc/19/29/42/566192942.db2.gz OPOHSEUAKZBRAO-UHFFFAOYSA-N -1 3 382.207 3.493 20 0 GGADHM O=C([N-]c1nnc2n1CCCC2)c1cc(-c2cccc(Br)c2)no1 ZINC000613353618 566194871 /nfs/dbraw/zinc/19/48/71/566194871.db2.gz GOLFPKOSXOSHIL-UHFFFAOYSA-N -1 3 388.225 3.284 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cs1 ZINC000290917025 566196570 /nfs/dbraw/zinc/19/65/70/566196570.db2.gz AVESSPIBRSNESC-SSDOTTSWSA-N -1 3 386.442 3.409 20 0 GGADHM Cn1cc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c(-c2ccccc2)n1 ZINC000182329774 566197492 /nfs/dbraw/zinc/19/74/92/566197492.db2.gz VNELAFQJVNDMHD-UHFFFAOYSA-N -1 3 379.844 3.358 20 0 GGADHM COc1cc(C(=O)N(C)CCc2cccc(Br)c2)cc(OC)c1[O-] ZINC000291009790 566200523 /nfs/dbraw/zinc/20/05/23/566200523.db2.gz DWUAXSULMDLCGR-UHFFFAOYSA-N -1 3 394.265 3.487 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000291017121 566200871 /nfs/dbraw/zinc/20/08/71/566200871.db2.gz MLVALXXXDQVDJD-CVEARBPZSA-N -1 3 395.297 3.398 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCOC2)C1)c1cc2cc(Cl)ccc2s1 ZINC000367421316 566201046 /nfs/dbraw/zinc/20/10/46/566201046.db2.gz AKBKINNOSPFDNL-BBRMVZONSA-N -1 3 387.910 3.171 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2I)c(C)o1 ZINC000182812986 566226312 /nfs/dbraw/zinc/22/63/12/566226312.db2.gz NFCUMHAFFDJTKD-UHFFFAOYSA-N -1 3 395.193 3.441 20 0 GGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000367442095 566202125 /nfs/dbraw/zinc/20/21/25/566202125.db2.gz DGPPHMQDPRLIDJ-UHFFFAOYSA-N -1 3 381.816 3.149 20 0 GGADHM COc1cc(C(=O)[N-]c2ccc(Br)cc2Br)on1 ZINC000183305792 566243721 /nfs/dbraw/zinc/24/37/21/566243721.db2.gz VHMYAQOTOKRFCK-UHFFFAOYSA-N -1 3 376.004 3.461 20 0 GGADHM Cc1cc(C(C)(C)C(=O)N2CCc3nc[n-]c(=O)c3C2)ccc1Br ZINC000291122003 566205781 /nfs/dbraw/zinc/20/57/81/566205781.db2.gz UMZMUMRVKYNGBF-UHFFFAOYSA-N -1 3 390.281 3.116 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000182484709 566207812 /nfs/dbraw/zinc/20/78/12/566207812.db2.gz NCNJDPYIUSJKEQ-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM O=C([N-]c1cc(C2CC2)ccn1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000291298494 566213781 /nfs/dbraw/zinc/21/37/81/566213781.db2.gz TYWBZGAFUVHNNL-UHFFFAOYSA-N -1 3 377.491 3.057 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000264450112 566216239 /nfs/dbraw/zinc/21/62/39/566216239.db2.gz SAJGTNUJRMVBAM-SNVBAGLBSA-N -1 3 385.486 3.104 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nnc2n1CCCCC2 ZINC000264598894 566218916 /nfs/dbraw/zinc/21/89/16/566218916.db2.gz ZGQUYUKAYXXBCB-CYBMUJFWSA-N -1 3 386.880 3.227 20 0 GGADHM O=C([N-]C[C@H]1CCCN(Cc2cc(O)ccc2Br)C1)C(F)(F)F ZINC000291434165 566219845 /nfs/dbraw/zinc/21/98/45/566219845.db2.gz BMRYJEFWJXQSLZ-SNVBAGLBSA-N -1 3 395.219 3.045 20 0 GGADHM O=C([N-]C[C@@H]1CCCN(Cc2cc(O)ccc2Br)C1)C(F)(F)F ZINC000291434150 566220036 /nfs/dbraw/zinc/22/00/36/566220036.db2.gz BMRYJEFWJXQSLZ-JTQLQIEISA-N -1 3 395.219 3.045 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(F)c(Cl)c2F)c1 ZINC000182801615 566225250 /nfs/dbraw/zinc/22/52/50/566225250.db2.gz WQRNZQLBSHZNGK-UHFFFAOYSA-N -1 3 392.786 3.260 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2I)c(C)o1 ZINC000182826288 566226247 /nfs/dbraw/zinc/22/62/47/566226247.db2.gz PBYGHLFTHXLEQC-UHFFFAOYSA-N -1 3 395.193 3.441 20 0 GGADHM COCc1nnc(Sc2nc(C(F)(F)F)c(Br)s2)[n-]1 ZINC000418899877 566226474 /nfs/dbraw/zinc/22/64/74/566226474.db2.gz JCKIOJLRZBWCDH-UHFFFAOYSA-N -1 3 375.195 3.340 20 0 GGADHM COCc1n[n-]c(Sc2nc(C(F)(F)F)c(Br)s2)n1 ZINC000418899877 566226480 /nfs/dbraw/zinc/22/64/80/566226480.db2.gz JCKIOJLRZBWCDH-UHFFFAOYSA-N -1 3 375.195 3.340 20 0 GGADHM COCc1nc(Sc2nc(C(F)(F)F)c(Br)s2)n[n-]1 ZINC000418899877 566226484 /nfs/dbraw/zinc/22/64/84/566226484.db2.gz JCKIOJLRZBWCDH-UHFFFAOYSA-N -1 3 375.195 3.340 20 0 GGADHM CN(C)[C@@]1(CN=c2[n-]c(C(F)(F)F)c(Br)s2)CCSC1 ZINC000418898634 566226527 /nfs/dbraw/zinc/22/65/27/566226527.db2.gz ZZBMHEKCCDPQFS-SNVBAGLBSA-N -1 3 390.294 3.196 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3ccnc(Cl)c3Cl)CC2)[n-]1 ZINC000291677187 566230330 /nfs/dbraw/zinc/23/03/30/566230330.db2.gz WWEAGGILAVQBAK-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3ccnc(Cl)c3Cl)CC2)n[n-]1 ZINC000291677187 566230335 /nfs/dbraw/zinc/23/03/35/566230335.db2.gz WWEAGGILAVQBAK-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1n[n-]c(C2CCN(Cc3ccnc(Cl)c3Cl)CC2)n1 ZINC000291677187 566230337 /nfs/dbraw/zinc/23/03/37/566230337.db2.gz WWEAGGILAVQBAK-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM Cc1ccc2oc(N3CCC([N-]S(=O)(=O)c4cccs4)CC3)nc2c1 ZINC000265147209 566231654 /nfs/dbraw/zinc/23/16/54/566231654.db2.gz RYOQGCIGYUQEIH-UHFFFAOYSA-N -1 3 377.491 3.145 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000183010101 566234390 /nfs/dbraw/zinc/23/43/90/566234390.db2.gz MLQZXNKXYKDTQM-RYUDHWBXSA-N -1 3 376.444 3.035 20 0 GGADHM CCc1cc(C(=O)N2CCC(n3cc(Br)cn3)CC2)ccc1[O-] ZINC000368277285 566234858 /nfs/dbraw/zinc/23/48/58/566234858.db2.gz RHBKSGGIXQOWNE-UHFFFAOYSA-N -1 3 378.270 3.391 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000183035174 566235694 /nfs/dbraw/zinc/23/56/94/566235694.db2.gz QLEPAZJMJGWDQA-NWDGAFQWSA-N -1 3 376.444 3.035 20 0 GGADHM CS(=O)(=O)CC1(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CCC1 ZINC000419451786 566235866 /nfs/dbraw/zinc/23/58/66/566235866.db2.gz VEOVSSGNBOGEEH-UHFFFAOYSA-N -1 3 378.519 3.297 20 0 GGADHM Cc1cccc([O-])c1NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000183038000 566236002 /nfs/dbraw/zinc/23/60/02/566236002.db2.gz GMZIHJRPWPVRMQ-UHFFFAOYSA-N -1 3 384.251 3.119 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000183041269 566236014 /nfs/dbraw/zinc/23/60/14/566236014.db2.gz WAERRSVLVRKDCC-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCCN(C2CCC2)C1 ZINC000183035220 566236152 /nfs/dbraw/zinc/23/61/52/566236152.db2.gz QLEPAZJMJGWDQA-RYUDHWBXSA-N -1 3 376.444 3.035 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](CO)CC1CCCCC1 ZINC000419488629 566236829 /nfs/dbraw/zinc/23/68/29/566236829.db2.gz HQZNKWDCDHIAEJ-AWEZNQCLSA-N -1 3 385.302 3.285 20 0 GGADHM Cc1nnc(Sc2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)c(C)c2)s1 ZINC000265425478 566237243 /nfs/dbraw/zinc/23/72/43/566237243.db2.gz PTGJBOJMGXMJQZ-LBPRGKRZSA-N -1 3 385.536 3.227 20 0 GGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000183139628 566239284 /nfs/dbraw/zinc/23/92/84/566239284.db2.gz IBWRGMQDEGBVQB-UHFFFAOYSA-N -1 3 395.428 3.081 20 0 GGADHM CSCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000265602752 566240081 /nfs/dbraw/zinc/24/00/81/566240081.db2.gz XEOXUHZHWQXRJE-UHFFFAOYSA-N -1 3 385.917 3.159 20 0 GGADHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000368490811 566240448 /nfs/dbraw/zinc/24/04/48/566240448.db2.gz DHINSQQKSBCWFT-CZUORRHYSA-N -1 3 385.291 3.454 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000183201270 566240503 /nfs/dbraw/zinc/24/05/03/566240503.db2.gz FWWVDSUQNHQEQA-UHFFFAOYSA-N -1 3 375.784 3.307 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2sc(C(C)(C)C)nc2C)s1 ZINC000265694014 566241039 /nfs/dbraw/zinc/24/10/39/566241039.db2.gz ALNAJAIWDKAUKO-UHFFFAOYSA-N -1 3 382.511 3.349 20 0 GGADHM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc([O-])cc1F ZINC000183270361 566242731 /nfs/dbraw/zinc/24/27/31/566242731.db2.gz UEHURKMJRJMSDN-ZETCQYMHSA-N -1 3 387.230 3.112 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000183309396 566243546 /nfs/dbraw/zinc/24/35/46/566243546.db2.gz YZXLMEXRHXVYRZ-CYBMUJFWSA-N -1 3 392.315 3.082 20 0 GGADHM O=S(=O)([N-]C1CC1)c1cc(NCc2cnc(C(F)(F)F)s2)ccc1F ZINC000419758379 566244244 /nfs/dbraw/zinc/24/42/44/566244244.db2.gz WALMIYPKBMIYNA-UHFFFAOYSA-N -1 3 395.403 3.354 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000266156927 566246463 /nfs/dbraw/zinc/24/64/63/566246463.db2.gz OKKLFOUMJLMHTO-AWEZNQCLSA-N -1 3 384.910 3.044 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccnc3ccsc32)CC1)c1cccs1 ZINC000266163354 566246859 /nfs/dbraw/zinc/24/68/59/566246859.db2.gz XHSFNAGAMZCYKY-UHFFFAOYSA-N -1 3 379.532 3.305 20 0 GGADHM COc1cc(/C=C/C(=O)N(C[C@H]2CCOC2)C2CC2)cc(Br)c1[O-] ZINC000183487446 566247697 /nfs/dbraw/zinc/24/76/97/566247697.db2.gz RJVBURKPPUGJPX-ADQTWTKMSA-N -1 3 396.281 3.204 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(Cl)c1 ZINC000462130413 566252194 /nfs/dbraw/zinc/25/21/94/566252194.db2.gz JFXLJCHDKOOKNM-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(Cl)c1 ZINC000462130414 566252228 /nfs/dbraw/zinc/25/22/28/566252228.db2.gz JFXLJCHDKOOKNM-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1Cl ZINC000462127153 566252355 /nfs/dbraw/zinc/25/23/55/566252355.db2.gz DFAFUQLYNZNFEZ-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCc1ccc(Cl)c(C)c1 ZINC000462127222 566252489 /nfs/dbraw/zinc/25/24/89/566252489.db2.gz RHQITKVYWRKYGK-UHFFFAOYSA-N -1 3 385.844 3.095 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(Cl)cc1F ZINC000462129040 566252499 /nfs/dbraw/zinc/25/24/99/566252499.db2.gz PLKUYBSSDVFVCC-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM COCCOCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000462133311 566253298 /nfs/dbraw/zinc/25/32/98/566253298.db2.gz YKTRLBFVIKYOBW-UHFFFAOYSA-N -1 3 387.860 3.121 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Br)cc3)C2)s1 ZINC000462135347 566253661 /nfs/dbraw/zinc/25/36/61/566253661.db2.gz BMWDOHVMYJWONQ-AULYBMBSSA-N -1 3 387.324 3.439 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1cccc(Cl)c1 ZINC000575156434 566254812 /nfs/dbraw/zinc/25/48/12/566254812.db2.gz UZVORQFGASOJAK-HNNXBMFYSA-N -1 3 380.853 3.288 20 0 GGADHM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419960362 566254955 /nfs/dbraw/zinc/25/49/55/566254955.db2.gz YDZNPLYEZILPBU-VHSXEESVSA-N -1 3 385.214 3.220 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462150195 566255267 /nfs/dbraw/zinc/25/52/67/566255267.db2.gz LDRCVJMMDQHXTR-GFCCVEGCSA-N -1 3 393.322 3.131 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)cc1F ZINC000444876271 566255673 /nfs/dbraw/zinc/25/56/73/566255673.db2.gz NVFICTCMDNHBII-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462150196 566256002 /nfs/dbraw/zinc/25/60/02/566256002.db2.gz LDRCVJMMDQHXTR-LBPRGKRZSA-N -1 3 393.322 3.131 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000509024374 566256344 /nfs/dbraw/zinc/25/63/44/566256344.db2.gz QKLFZQIDBUSYFK-NSHDSACASA-N -1 3 386.250 3.348 20 0 GGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(CN(C)C)c(Cl)c1)OCO2 ZINC000481865127 566257258 /nfs/dbraw/zinc/25/72/58/566257258.db2.gz LGWBFVVFKBGOPT-UHFFFAOYSA-N -1 3 382.869 3.240 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481864714 566258017 /nfs/dbraw/zinc/25/80/17/566258017.db2.gz HPVCKYJISFOHHC-UHFFFAOYSA-N -1 3 382.913 3.391 20 0 GGADHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000534817977 566258761 /nfs/dbraw/zinc/25/87/61/566258761.db2.gz OPKBJUFIKDVSAY-VIFPVBQESA-N -1 3 387.807 3.226 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000509089043 566260693 /nfs/dbraw/zinc/26/06/93/566260693.db2.gz INSPBVDAQYSVOI-UHFFFAOYSA-N -1 3 391.333 3.404 20 0 GGADHM O=S(=O)([N-]c1c(F)cc(Br)cc1F)c1cccc2c1OCO2 ZINC000509086437 566260861 /nfs/dbraw/zinc/26/08/61/566260861.db2.gz YEDYPRSPEAVQEN-UHFFFAOYSA-N -1 3 392.177 3.257 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509351755 566293380 /nfs/dbraw/zinc/29/33/80/566293380.db2.gz STSFIVCVBMEBFF-VHSXEESVSA-N -1 3 382.707 3.338 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000534894742 566261709 /nfs/dbraw/zinc/26/17/09/566261709.db2.gz WXCFHWHYKCRHTK-UHFFFAOYSA-N -1 3 387.914 3.122 20 0 GGADHM O=C(COc1cccc(Cl)c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000509081779 566261674 /nfs/dbraw/zinc/26/16/74/566261674.db2.gz NYIMOCIWZFKVKK-UHFFFAOYSA-N -1 3 380.629 3.190 20 0 GGADHM C[C@H]1C[C@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCN1C ZINC000481902174 566261771 /nfs/dbraw/zinc/26/17/71/566261771.db2.gz GOKIQRWXUSVYGP-VHSXEESVSA-N -1 3 383.880 3.024 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cnc2ccccc2c1 ZINC000509096119 566262455 /nfs/dbraw/zinc/26/24/55/566262455.db2.gz FMSVLUIRYPAXFN-UHFFFAOYSA-N -1 3 376.821 3.460 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000624960354 566262530 /nfs/dbraw/zinc/26/25/30/566262530.db2.gz KCFMKZBLXXKXEL-UHFFFAOYSA-N -1 3 391.262 3.022 20 0 GGADHM O=S(=O)([N-]C[C@H](Cc1ccccc1)C(F)(F)F)c1cncc(Cl)c1 ZINC000575221502 566262701 /nfs/dbraw/zinc/26/27/01/566262701.db2.gz XMBBLHOZRVASGP-LBPRGKRZSA-N -1 3 378.803 3.435 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509103621 566263147 /nfs/dbraw/zinc/26/31/47/566263147.db2.gz PJOLNXKELWSTGY-UHFFFAOYSA-N -1 3 382.825 3.218 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000555964821 566263638 /nfs/dbraw/zinc/26/36/38/566263638.db2.gz NBCFVEYGSDZJAM-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000534904206 566263707 /nfs/dbraw/zinc/26/37/07/566263707.db2.gz PSTAPUQUPRYNRQ-VIFPVBQESA-N -1 3 383.825 3.030 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)cn1 ZINC000624965205 566263853 /nfs/dbraw/zinc/26/38/53/566263853.db2.gz XEKWMAFSDVXVPD-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)cc1F ZINC000445043225 566264331 /nfs/dbraw/zinc/26/43/31/566264331.db2.gz WHAZAIGZQGRXHI-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM COc1ccc(CN2CCn3c(nnc3C(C)(C)C)C2)c(Br)c1[O-] ZINC000668769638 566264578 /nfs/dbraw/zinc/26/45/78/566264578.db2.gz FOAJBUYUDGYCJK-UHFFFAOYSA-N -1 3 395.301 3.068 20 0 GGADHM O=S(=O)(CCc1c(F)cccc1F)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000625010056 566266448 /nfs/dbraw/zinc/26/64/48/566266448.db2.gz OKIAVAVGJLIRGR-UHFFFAOYSA-N -1 3 386.367 3.102 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)cc1F ZINC000445063802 566266933 /nfs/dbraw/zinc/26/69/33/566266933.db2.gz YKKXRDRJCKMWSR-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCCN1C ZINC000481933872 566267227 /nfs/dbraw/zinc/26/72/27/566267227.db2.gz RUXZPHPAWXFBHH-SKDRFNHKSA-N -1 3 383.880 3.024 20 0 GGADHM CCN(CC)C[C@@H](C)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481934651 566267432 /nfs/dbraw/zinc/26/74/32/566267432.db2.gz VLKMTENZKZISMW-SNVBAGLBSA-N -1 3 385.896 3.271 20 0 GGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000556055739 566267723 /nfs/dbraw/zinc/26/77/23/566267723.db2.gz YMDGPGNDASCHSZ-SNVBAGLBSA-N -1 3 376.309 3.421 20 0 GGADHM O=C(NCCOc1ccccc1F)NCc1ccc([O-])c(Br)c1 ZINC000481954958 566268770 /nfs/dbraw/zinc/26/87/70/566268770.db2.gz ROTZKPNNNJRNJI-UHFFFAOYSA-N -1 3 383.217 3.172 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000534980093 566268786 /nfs/dbraw/zinc/26/87/86/566268786.db2.gz JFWWUGJRDHJHDC-SSDOTTSWSA-N -1 3 382.795 3.079 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C1CCOCC1 ZINC000625039254 566269593 /nfs/dbraw/zinc/26/95/93/566269593.db2.gz XORMVUZUYLYOGZ-AWEZNQCLSA-N -1 3 394.306 3.380 20 0 GGADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462255789 566270129 /nfs/dbraw/zinc/27/01/29/566270129.db2.gz MLYSNLXVVHUHHW-UHFFFAOYSA-N -1 3 378.288 3.093 20 0 GGADHM CC(C)(C)OC(=O)C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000599506962 566270453 /nfs/dbraw/zinc/27/04/53/566270453.db2.gz LCNZAAKXZUUBKL-UHFFFAOYSA-N -1 3 384.270 3.349 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccncc1 ZINC000625047867 566271126 /nfs/dbraw/zinc/27/11/26/566271126.db2.gz ZFDIYGNQAALWEY-NSHDSACASA-N -1 3 387.274 3.201 20 0 GGADHM O=S(=O)([N-]Cc1cccc2ccccc21)c1ccc(Br)cn1 ZINC000462273169 566272165 /nfs/dbraw/zinc/27/21/65/566272165.db2.gz BCHXUXHVSOKPIF-UHFFFAOYSA-N -1 3 377.263 3.476 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000625065091 566272103 /nfs/dbraw/zinc/27/21/03/566272103.db2.gz UQMKVMAMUSSIKP-GDLCADMTSA-N -1 3 392.290 3.133 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000556176192 566272921 /nfs/dbraw/zinc/27/29/21/566272921.db2.gz QWSKZQGLFLISJM-NRFANRHFSA-N -1 3 379.290 3.068 20 0 GGADHM CC1(C)CCCN(CCNC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000445227401 566273595 /nfs/dbraw/zinc/27/35/95/566273595.db2.gz WJBZOOREZPXHGJ-UHFFFAOYSA-N -1 3 384.318 3.076 20 0 GGADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1cncc(Br)c1 ZINC000482019579 566277593 /nfs/dbraw/zinc/27/75/93/566277593.db2.gz MWZMTHXFINGMTJ-UHFFFAOYSA-N -1 3 387.686 3.465 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)c(Cl)c1Cl ZINC000462302869 566278028 /nfs/dbraw/zinc/27/80/28/566278028.db2.gz YDBISBGNUNAAAX-MRVPVSSYSA-N -1 3 384.281 3.011 20 0 GGADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2OCCN(C)C)c1 ZINC000509217290 566278117 /nfs/dbraw/zinc/27/81/17/566278117.db2.gz JMKYNYKPKHKFNW-UHFFFAOYSA-N -1 3 380.535 3.458 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)c(F)cc1F ZINC000462299739 566278203 /nfs/dbraw/zinc/27/82/03/566278203.db2.gz UMETXUQELKZNMM-CYBMUJFWSA-N -1 3 375.343 3.354 20 0 GGADHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462301148 566278514 /nfs/dbraw/zinc/27/85/14/566278514.db2.gz XFGQXHAPHHIHIV-UHFFFAOYSA-N -1 3 383.311 3.409 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](C)c2ccc(OC)cc2)s1 ZINC000462301307 566278625 /nfs/dbraw/zinc/27/86/25/566278625.db2.gz VUKOCFXLCMBCLW-LBPRGKRZSA-N -1 3 383.491 3.015 20 0 GGADHM CCc1ccccc1[C@H](N)C[N-]S(=O)(=O)c1sccc1Br ZINC000420451027 566278825 /nfs/dbraw/zinc/27/88/25/566278825.db2.gz BHEQTXFDUKRINT-CYBMUJFWSA-N -1 3 389.340 3.051 20 0 GGADHM CC(C)O[C@H]1C[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482053891 566279001 /nfs/dbraw/zinc/27/90/01/566279001.db2.gz VHUITZAROSXDDK-KBPBESRZSA-N -1 3 395.301 3.232 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000625125312 566279408 /nfs/dbraw/zinc/27/94/08/566279408.db2.gz XJLGVLXZUROFIF-RISCZKNCSA-N -1 3 392.290 3.133 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000625125311 566279587 /nfs/dbraw/zinc/27/95/87/566279587.db2.gz XJLGVLXZUROFIF-FZMZJTMJSA-N -1 3 392.290 3.133 20 0 GGADHM C[C@@H](Cc1ccccc1F)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482049883 566279965 /nfs/dbraw/zinc/27/99/65/566279965.db2.gz OJUAKUVYCBIFFS-NSHDSACASA-N -1 3 391.244 3.411 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC(Oc2ccccn2)CC1 ZINC000556264580 566280227 /nfs/dbraw/zinc/28/02/27/566280227.db2.gz QQJIIPADRFAPIP-UHFFFAOYSA-N -1 3 391.265 3.162 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C12CCC2 ZINC000462305625 566280402 /nfs/dbraw/zinc/28/04/02/566280402.db2.gz LJKVUMSFFRPWLK-CABCVRRESA-N -1 3 378.519 3.436 20 0 GGADHM CCOc1ccccc1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482075145 566280933 /nfs/dbraw/zinc/28/09/33/566280933.db2.gz CFTMCKPTQNZIQQ-UHFFFAOYSA-N -1 3 389.253 3.239 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2OC)c1 ZINC000462317113 566281222 /nfs/dbraw/zinc/28/12/22/566281222.db2.gz VCHJXMPUCMVHIR-ROUUACIJSA-N -1 3 381.881 3.366 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCO1 ZINC000535142432 566281251 /nfs/dbraw/zinc/28/12/51/566281251.db2.gz MOAMUIAHIXTNHP-CHWSQXEVSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCO1 ZINC000535142477 566281304 /nfs/dbraw/zinc/28/13/04/566281304.db2.gz MOAMUIAHIXTNHP-OLZOCXBDSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000482078211 566281568 /nfs/dbraw/zinc/28/15/68/566281568.db2.gz PTKOZKYISNVGHJ-BPQIPLTHSA-N -1 3 397.276 3.369 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCc2c1cccc2O ZINC000482078303 566281773 /nfs/dbraw/zinc/28/17/73/566281773.db2.gz GELLURZEHOKNOT-CQSZACIVSA-N -1 3 387.237 3.033 20 0 GGADHM CC[C@H](C)Oc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)ccn1 ZINC000648431801 566282282 /nfs/dbraw/zinc/28/22/82/566282282.db2.gz FEHRJGVFIJVCCM-VIFPVBQESA-N -1 3 376.766 3.345 20 0 GGADHM Cc1oc(Br)cc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431133 566282289 /nfs/dbraw/zinc/28/22/89/566282289.db2.gz IWGCDAHTJONLER-UHFFFAOYSA-N -1 3 386.555 3.437 20 0 GGADHM COc1nc(-c2noc(Cc3ccc([O-])cc3Cl)n2)ncc1Br ZINC000445304470 566282910 /nfs/dbraw/zinc/28/29/10/566282910.db2.gz ZDSPSOACJQITFA-UHFFFAOYSA-N -1 3 397.616 3.248 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)c(F)c1 ZINC000575768470 566283106 /nfs/dbraw/zinc/28/31/06/566283106.db2.gz DILVQCAOHZOXFA-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)c(F)c1 ZINC000575768469 566283356 /nfs/dbraw/zinc/28/33/56/566283356.db2.gz DILVQCAOHZOXFA-AWEZNQCLSA-N -1 3 379.787 3.423 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@H]1c1cccnc1 ZINC000482083800 566283375 /nfs/dbraw/zinc/28/33/75/566283375.db2.gz NJPAWHSGUHOKGI-OAHLLOKOSA-N -1 3 386.253 3.283 20 0 GGADHM CC(C)C[C@@H]1C[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482084462 566283485 /nfs/dbraw/zinc/28/34/85/566283485.db2.gz PDZCMZDYXIPXJS-UKRRQHHQSA-N -1 3 395.301 3.234 20 0 GGADHM O=C(NCCCCc1ccc(Cl)s1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000556305900 566283901 /nfs/dbraw/zinc/28/39/01/566283901.db2.gz SRUBDUMHIRKNBV-UHFFFAOYSA-N -1 3 377.853 3.430 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)(c3cccc(Br)c3)CC2)[n-]c(=O)n1 ZINC000509260817 566284009 /nfs/dbraw/zinc/28/40/09/566284009.db2.gz WPBZRDXBPRHUBO-UHFFFAOYSA-N -1 3 390.281 3.447 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(COc4cccnc4)n3)[n-]2)c1 ZINC000556329526 566284564 /nfs/dbraw/zinc/28/45/64/566284564.db2.gz XFFZKQDRXILOBG-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(COc4cccnc4)n3)n2)c1 ZINC000556329526 566284576 /nfs/dbraw/zinc/28/45/76/566284576.db2.gz XFFZKQDRXILOBG-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(COc4cccnc4)n3)n[n-]2)c1 ZINC000556329526 566284584 /nfs/dbraw/zinc/28/45/84/566284584.db2.gz XFFZKQDRXILOBG-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1COc1ccccc1Cl)c1c[nH]cn1 ZINC000462327814 566284544 /nfs/dbraw/zinc/28/45/44/566284544.db2.gz YKQSMHGGSKOWHK-UHFFFAOYSA-N -1 3 377.853 3.121 20 0 GGADHM CSc1cc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)o1 ZINC000669091023 566284824 /nfs/dbraw/zinc/28/48/24/566284824.db2.gz UXQFQDKVYYKCLU-UHFFFAOYSA-N -1 3 384.454 3.142 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2Cl)cs1 ZINC000575780509 566284979 /nfs/dbraw/zinc/28/49/79/566284979.db2.gz ZEIBYCHJSSSAPA-UHFFFAOYSA-N -1 3 375.855 3.306 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(-c4cscn4)n3)[n-]2)c1 ZINC000556328664 566284865 /nfs/dbraw/zinc/28/48/65/566284865.db2.gz ICKYDQKRHIOTGC-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(-c4cscn4)n3)n2)c1 ZINC000556328664 566284874 /nfs/dbraw/zinc/28/48/74/566284874.db2.gz ICKYDQKRHIOTGC-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(-c4cscn4)n3)n[n-]2)c1 ZINC000556328664 566284885 /nfs/dbraw/zinc/28/48/85/566284885.db2.gz ICKYDQKRHIOTGC-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000482127952 566285016 /nfs/dbraw/zinc/28/50/16/566285016.db2.gz FOAKKLJOOPMHJM-LLVKDONJSA-N -1 3 389.253 3.410 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000462328624 566285128 /nfs/dbraw/zinc/28/51/28/566285128.db2.gz SKCQZGXQLKISSL-NEPJUHHUSA-N -1 3 394.356 3.445 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113907 566285214 /nfs/dbraw/zinc/28/52/14/566285214.db2.gz MRFPPNBRGWHONV-SNVBAGLBSA-N -1 3 379.283 3.333 20 0 GGADHM Cc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)oc2c1C(=O)CCC2 ZINC000648433705 566285169 /nfs/dbraw/zinc/28/51/69/566285169.db2.gz LGGDZTOJMXBOID-UHFFFAOYSA-N -1 3 375.734 3.193 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cnc([C@@H]2CCCO2)s1 ZINC000648432041 566285425 /nfs/dbraw/zinc/28/54/25/566285425.db2.gz NKIRLVQMSLRYCZ-QMMMGPOBSA-N -1 3 380.779 3.081 20 0 GGADHM Cc1nc(C(F)(F)F)ccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433685 566285531 /nfs/dbraw/zinc/28/55/31/566285531.db2.gz KOBJQNUDGNEGQJ-UHFFFAOYSA-N -1 3 386.683 3.495 20 0 GGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432746 566285602 /nfs/dbraw/zinc/28/56/02/566285602.db2.gz HBFVTVBWJGCAKI-ZETCQYMHSA-N -1 3 383.704 3.205 20 0 GGADHM C[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C(C)(F)F ZINC000556326310 566285557 /nfs/dbraw/zinc/28/55/57/566285557.db2.gz YHGUNIYAQSGCCJ-SSDOTTSWSA-N -1 3 384.807 3.150 20 0 GGADHM CCc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cnn1CC(C)C ZINC000648432354 566285669 /nfs/dbraw/zinc/28/56/69/566285669.db2.gz ZKJPELDNLDDPKI-UHFFFAOYSA-N -1 3 377.798 3.188 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCCC2)c1 ZINC000482141427 566287093 /nfs/dbraw/zinc/28/70/93/566287093.db2.gz MXMLHPDGWJLHTN-UHFFFAOYSA-N -1 3 386.558 3.164 20 0 GGADHM CC1(C)CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCS1 ZINC000482134360 566287227 /nfs/dbraw/zinc/28/72/27/566287227.db2.gz WDLNQOORILJQMF-UHFFFAOYSA-N -1 3 383.315 3.268 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482144474 566287318 /nfs/dbraw/zinc/28/73/18/566287318.db2.gz WBGUZQRCIOCRMD-LLVKDONJSA-N -1 3 388.269 3.359 20 0 GGADHM CS(=O)(=O)c1ccc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)s1 ZINC000420525720 566287409 /nfs/dbraw/zinc/28/74/09/566287409.db2.gz ZZTBWGOZCRHBRW-UHFFFAOYSA-N -1 3 382.438 3.222 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1Br ZINC000556335305 566287510 /nfs/dbraw/zinc/28/75/10/566287510.db2.gz PLFCTEQXUMNIIF-NSHDSACASA-N -1 3 392.290 3.216 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(CC[C@H]4CCCO4)n3)[n-]2)c1 ZINC000556332328 566287525 /nfs/dbraw/zinc/28/75/25/566287525.db2.gz TXQAIQLINOBZON-GFCCVEGCSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(CC[C@H]4CCCO4)n3)n2)c1 ZINC000556332328 566287526 /nfs/dbraw/zinc/28/75/26/566287526.db2.gz TXQAIQLINOBZON-GFCCVEGCSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(CC[C@H]4CCCO4)n3)n[n-]2)c1 ZINC000556332328 566287528 /nfs/dbraw/zinc/28/75/28/566287528.db2.gz TXQAIQLINOBZON-GFCCVEGCSA-N -1 3 390.241 3.396 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC000420524305 566287552 /nfs/dbraw/zinc/28/75/52/566287552.db2.gz VZGZNHDCZRYDOD-UHFFFAOYSA-N -1 3 381.351 3.114 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cnn(C)c1 ZINC000462340614 566288072 /nfs/dbraw/zinc/28/80/72/566288072.db2.gz LSFBIPXPRNWIEO-JTQLQIEISA-N -1 3 382.898 3.237 20 0 GGADHM CC(C)c1csc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)n1 ZINC000482172619 566289242 /nfs/dbraw/zinc/28/92/42/566289242.db2.gz YOKPGPQYMDRAEP-UHFFFAOYSA-N -1 3 394.298 3.420 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cn1)c1cccc(F)c1 ZINC000462351861 566289251 /nfs/dbraw/zinc/28/92/51/566289251.db2.gz GYNAUEVBOXFUMR-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1cc(F)c(F)c(F)c1 ZINC000462346003 566289503 /nfs/dbraw/zinc/28/95/03/566289503.db2.gz BLZCQPCYDMRKSP-UHFFFAOYSA-N -1 3 376.303 3.058 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2c[nH]c3ccccc32)no1)c1ccc(Cl)s1 ZINC000445443890 566289791 /nfs/dbraw/zinc/28/97/91/566289791.db2.gz HBAFVQHDSGGZML-UHFFFAOYSA-N -1 3 394.865 3.411 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1nccs1 ZINC000462347237 566289743 /nfs/dbraw/zinc/28/97/43/566289743.db2.gz HOPQVGKUSOPSLH-OAHLLOKOSA-N -1 3 388.898 3.187 20 0 GGADHM COc1ccccc1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535249330 566290723 /nfs/dbraw/zinc/29/07/23/566290723.db2.gz XANRPSKNZOTFAV-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM O=S(=O)([N-]CCCOc1ccccc1)c1cc(F)ccc1OC(F)F ZINC000420645855 566290813 /nfs/dbraw/zinc/29/08/13/566290813.db2.gz JWPVYMZCWZHRRH-UHFFFAOYSA-N -1 3 375.368 3.175 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC(F)(F)F ZINC000482189332 566290703 /nfs/dbraw/zinc/29/07/03/566290703.db2.gz WJGFJYXUHVSFBZ-UHFFFAOYSA-N -1 3 398.756 3.131 20 0 GGADHM Cc1ccsc1CCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482181630 566290761 /nfs/dbraw/zinc/29/07/61/566290761.db2.gz FJIDGNNWGXYMSL-UHFFFAOYSA-N -1 3 379.283 3.253 20 0 GGADHM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599731794 566291207 /nfs/dbraw/zinc/29/12/07/566291207.db2.gz FHXGQLMBBUNYHS-LBPRGKRZSA-N -1 3 384.270 3.206 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(Br)cc2C)no1 ZINC000445460360 566291902 /nfs/dbraw/zinc/29/19/02/566291902.db2.gz QVPDAFOSAZULAY-UHFFFAOYSA-N -1 3 388.287 3.027 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1cccc(Cl)c1 ZINC000556377021 566291835 /nfs/dbraw/zinc/29/18/35/566291835.db2.gz SXLXMCOVKSSJKK-HNNXBMFYSA-N -1 3 386.901 3.433 20 0 GGADHM Cc1cccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)c1 ZINC000420655591 566292169 /nfs/dbraw/zinc/29/21/69/566292169.db2.gz ZWQUTMSSGCERJQ-UHFFFAOYSA-N -1 3 375.368 3.093 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482207050 566292066 /nfs/dbraw/zinc/29/20/66/566292066.db2.gz HALJVNQKPXGRFI-LLVKDONJSA-N -1 3 389.253 3.410 20 0 GGADHM CS[C@@H]1CCC[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482202960 566292455 /nfs/dbraw/zinc/29/24/55/566292455.db2.gz XDZZBUKPAHHODS-DGCLKSJQSA-N -1 3 383.315 3.314 20 0 GGADHM Cc1cccc2c1CN(C(=O)N=c1cc3ccc(Br)cn3[n-]1)CC2 ZINC000482199492 566292531 /nfs/dbraw/zinc/29/25/31/566292531.db2.gz LACSQYWOPNLJCB-UHFFFAOYSA-N -1 3 385.265 3.417 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482202959 566292732 /nfs/dbraw/zinc/29/27/32/566292732.db2.gz XDZZBUKPAHHODS-AAEUAGOBSA-N -1 3 383.315 3.314 20 0 GGADHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420658807 566293225 /nfs/dbraw/zinc/29/32/25/566293225.db2.gz HWWYDSHHJDIDQP-UHFFFAOYSA-N -1 3 375.368 3.093 20 0 GGADHM C[C@@H](CNc1ccccc1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482233548 566293608 /nfs/dbraw/zinc/29/36/08/566293608.db2.gz SSPJAAKVMFWZLW-LBPRGKRZSA-N -1 3 388.269 3.141 20 0 GGADHM C[C@@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000482232260 566293688 /nfs/dbraw/zinc/29/36/88/566293688.db2.gz QXSINWJNKGFUDS-SSDOTTSWSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000482232260 566293689 /nfs/dbraw/zinc/29/36/89/566293689.db2.gz QXSINWJNKGFUDS-SSDOTTSWSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000482232260 566293693 /nfs/dbraw/zinc/29/36/93/566293693.db2.gz QXSINWJNKGFUDS-SSDOTTSWSA-N -1 3 377.164 3.006 20 0 GGADHM CCS[C@@H]1CCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234070 566293994 /nfs/dbraw/zinc/29/39/94/566293994.db2.gz VPOVJCTUVLFXMC-CHWSQXEVSA-N -1 3 383.315 3.314 20 0 GGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420661997 566294075 /nfs/dbraw/zinc/29/40/75/566294075.db2.gz AARCSVRMLDMINJ-SNVBAGLBSA-N -1 3 376.812 3.246 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C2CC2)s1 ZINC000462397294 566294195 /nfs/dbraw/zinc/29/41/95/566294195.db2.gz QLSYOYHZWLTRPN-GFCCVEGCSA-N -1 3 388.312 3.039 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1Br ZINC000482216929 566294243 /nfs/dbraw/zinc/29/42/43/566294243.db2.gz SHRWOEYOJBQNTQ-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1Br ZINC000482216929 566294248 /nfs/dbraw/zinc/29/42/48/566294248.db2.gz SHRWOEYOJBQNTQ-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1Br ZINC000482216929 566294253 /nfs/dbraw/zinc/29/42/53/566294253.db2.gz SHRWOEYOJBQNTQ-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCc2ccc(F)cc2C1 ZINC000482218814 566294348 /nfs/dbraw/zinc/29/43/48/566294348.db2.gz ZAXYLXUTLYJAEB-UHFFFAOYSA-N -1 3 389.228 3.248 20 0 GGADHM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599763639 566294542 /nfs/dbraw/zinc/29/45/42/566294542.db2.gz USGJEHKUKUHRPS-GFCCVEGCSA-N -1 3 384.270 3.349 20 0 GGADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420664490 566294680 /nfs/dbraw/zinc/29/46/80/566294680.db2.gz AATFAHVNBSEFTE-SECBINFHSA-N -1 3 393.408 3.428 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420665512 566294878 /nfs/dbraw/zinc/29/48/78/566294878.db2.gz BFPBEOMZBZFAGM-KBRIMQKVSA-N -1 3 393.908 3.290 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1ccc2[nH]ccc2c1 ZINC000482231472 566295006 /nfs/dbraw/zinc/29/50/06/566295006.db2.gz LFNVGPQIUOVVPI-UHFFFAOYSA-N -1 3 398.264 3.364 20 0 GGADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000420661702 566295104 /nfs/dbraw/zinc/29/51/04/566295104.db2.gz IEQJPKFSMFGHFP-UHFFFAOYSA-N -1 3 394.440 3.493 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420661996 566295147 /nfs/dbraw/zinc/29/51/47/566295147.db2.gz AARCSVRMLDMINJ-JTQLQIEISA-N -1 3 376.812 3.246 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1C[C@H](C)n2ccnc21 ZINC000625244330 566295851 /nfs/dbraw/zinc/29/58/51/566295851.db2.gz YFTIHELDKPUFRD-CABZTGNLSA-N -1 3 388.262 3.077 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]Cc1nc(C(C)C)c(C)s1 ZINC000420674457 566296569 /nfs/dbraw/zinc/29/65/69/566296569.db2.gz IDKJGGRBHLSANC-MRXNPFEDSA-N -1 3 382.551 3.252 20 0 GGADHM O=S(=O)([N-]Cc1nccn1C(F)F)c1cc(Cl)ccc1OC(F)F ZINC000420673744 566297027 /nfs/dbraw/zinc/29/70/27/566297027.db2.gz MCPSGBANVCITGV-UHFFFAOYSA-N -1 3 387.742 3.012 20 0 GGADHM Cc1nc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)cs1 ZINC000482241488 566297040 /nfs/dbraw/zinc/29/70/40/566297040.db2.gz NXORNMVRNLRJTO-QMMMGPOBSA-N -1 3 380.271 3.166 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420671732 566297228 /nfs/dbraw/zinc/29/72/28/566297228.db2.gz JKMXHRLSHVEJKN-MRVPVSSYSA-N -1 3 394.827 3.456 20 0 GGADHM Cc1ccc(CCC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC000482239402 566297141 /nfs/dbraw/zinc/29/71/41/566297141.db2.gz NSTHVOSRLGZXSN-UHFFFAOYSA-N -1 3 391.191 3.143 20 0 GGADHM Cc1ccc(CCC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(Br)c1 ZINC000482239402 566297147 /nfs/dbraw/zinc/29/71/47/566297147.db2.gz NSTHVOSRLGZXSN-UHFFFAOYSA-N -1 3 391.191 3.143 20 0 GGADHM Cc1ccc(CCC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Br)c1 ZINC000482239402 566297153 /nfs/dbraw/zinc/29/71/53/566297153.db2.gz NSTHVOSRLGZXSN-UHFFFAOYSA-N -1 3 391.191 3.143 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)s1 ZINC000462407560 566297779 /nfs/dbraw/zinc/29/77/79/566297779.db2.gz KTGHDLGBNPFEKK-JTQLQIEISA-N -1 3 391.356 3.457 20 0 GGADHM CN(C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccsc1 ZINC000482258542 566297831 /nfs/dbraw/zinc/29/78/31/566297831.db2.gz LQPYUDLTYUCUFI-CQSZACIVSA-N -1 3 398.326 3.318 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462410879 566298047 /nfs/dbraw/zinc/29/80/47/566298047.db2.gz USAMCVIRBLFCJY-NSHDSACASA-N -1 3 389.290 3.226 20 0 GGADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1cc(F)ccc1OC(F)F ZINC000420681787 566298328 /nfs/dbraw/zinc/29/83/28/566298328.db2.gz YHPSXKZLBWCOTM-CYBMUJFWSA-N -1 3 381.416 3.037 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Br)c1 ZINC000509388818 566298327 /nfs/dbraw/zinc/29/83/27/566298327.db2.gz ZRQNRIPLSOCHOW-ZETCQYMHSA-N -1 3 392.193 3.124 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1cc(Cl)ccc1OC(F)F ZINC000420681585 566298664 /nfs/dbraw/zinc/29/86/64/566298664.db2.gz ZPVZANFSMJIKKP-UHFFFAOYSA-N -1 3 391.823 3.437 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H]2CCO[C@@H]21 ZINC000420682194 566298806 /nfs/dbraw/zinc/29/88/06/566298806.db2.gz ZEPNPCMEBDRIDP-WQAKAFBOSA-N -1 3 381.828 3.033 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CCOCC1 ZINC000420681380 566299019 /nfs/dbraw/zinc/29/90/19/566299019.db2.gz ZCEYTQHMAROJGV-LBPRGKRZSA-N -1 3 383.844 3.425 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000462417780 566299590 /nfs/dbraw/zinc/29/95/90/566299590.db2.gz NYECECIRLDHBNY-LLVKDONJSA-N -1 3 378.391 3.483 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCO1 ZINC000420683187 566300041 /nfs/dbraw/zinc/30/00/41/566300041.db2.gz FFFIBPAJBDPTHY-RISCZKNCSA-N -1 3 381.416 3.299 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)s1 ZINC000420686913 566300194 /nfs/dbraw/zinc/30/01/94/566300194.db2.gz IIEPUMOXCJQTIW-LURJTMIESA-N -1 3 383.829 3.141 20 0 GGADHM O=S(=O)([N-]CCNCc1cc2ccccc2o1)c1ccc(F)cc1Cl ZINC000509399671 566299953 /nfs/dbraw/zinc/29/99/53/566299953.db2.gz AYJIWHLLUGJEMJ-UHFFFAOYSA-N -1 3 382.844 3.293 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000420687882 566300544 /nfs/dbraw/zinc/30/05/44/566300544.db2.gz LQQOWAHYFQINDD-ZACQAIPSSA-N -1 3 375.918 3.151 20 0 GGADHM O=S(=O)([N-]CCNCc1c(F)cccc1Cl)c1ccc(F)cc1Cl ZINC000509411430 566300911 /nfs/dbraw/zinc/30/09/11/566300911.db2.gz SVCLSKGSLCZDFH-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420694232 566301327 /nfs/dbraw/zinc/30/13/27/566301327.db2.gz VRKALTHAZKLCSR-GHMZBOCLSA-N -1 3 383.844 3.425 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c1C ZINC000462425475 566301721 /nfs/dbraw/zinc/30/17/21/566301721.db2.gz HUKSYIYTWFNOQE-UHFFFAOYSA-N -1 3 379.379 3.156 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420690574 566302235 /nfs/dbraw/zinc/30/22/35/566302235.db2.gz OZMBDPZOEGENSU-UHFFFAOYSA-N -1 3 381.416 3.301 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cc(Cl)ccc1OC(F)F ZINC000420692576 566302246 /nfs/dbraw/zinc/30/22/46/566302246.db2.gz KEIKWWBOYNKRAT-UHFFFAOYSA-N -1 3 389.807 3.450 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)s1 ZINC000462436175 566302469 /nfs/dbraw/zinc/30/24/69/566302469.db2.gz JBYZAVWAPZMLKW-LLVKDONJSA-N -1 3 388.308 3.101 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1ccc(Br)c(F)c1 ZINC000462438656 566302726 /nfs/dbraw/zinc/30/27/26/566302726.db2.gz UBZXKUOVTAYWRH-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO[C@H]1C1CC1 ZINC000575978618 566303002 /nfs/dbraw/zinc/30/30/02/566303002.db2.gz HPFRPSAIFIRDMP-GOEBONIOSA-N -1 3 395.855 3.425 20 0 GGADHM Cc1cccc(NC(=O)NCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000535412843 566303184 /nfs/dbraw/zinc/30/31/84/566303184.db2.gz AVPZFSCWKQFWCE-UHFFFAOYSA-N -1 3 378.226 3.223 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420701799 566303686 /nfs/dbraw/zinc/30/36/86/566303686.db2.gz RGZNEEQNOWDEKJ-UHFFFAOYSA-N -1 3 383.844 3.425 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO[C@@H]1C1CC1 ZINC000575978617 566303779 /nfs/dbraw/zinc/30/37/79/566303779.db2.gz HPFRPSAIFIRDMP-GDBMZVCRSA-N -1 3 395.855 3.425 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000420698192 566303832 /nfs/dbraw/zinc/30/38/32/566303832.db2.gz KSHOWUPQAINDCB-BJOHPYRUSA-N -1 3 383.844 3.423 20 0 GGADHM O=C(NCCc1cccc(F)c1F)NCc1ccc([O-])c(Br)c1 ZINC000482357407 566304176 /nfs/dbraw/zinc/30/41/76/566304176.db2.gz MKGOLVKDCJYBCI-UHFFFAOYSA-N -1 3 385.208 3.475 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)s1 ZINC000462440802 566304395 /nfs/dbraw/zinc/30/43/95/566304395.db2.gz LQXXZBCCYNTUPO-LLVKDONJSA-N -1 3 388.308 3.101 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)s1 ZINC000462441388 566304490 /nfs/dbraw/zinc/30/44/90/566304490.db2.gz NRICNBPTYGVIOI-GHMZBOCLSA-N -1 3 395.388 3.360 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445703369 566304642 /nfs/dbraw/zinc/30/46/42/566304642.db2.gz XXTXFJBIOWMAPI-LLVKDONJSA-N -1 3 387.807 3.382 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000445700444 566304880 /nfs/dbraw/zinc/30/48/80/566304880.db2.gz VGDQYKPNBIQKHW-UHFFFAOYSA-N -1 3 377.516 3.406 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000420705471 566305349 /nfs/dbraw/zinc/30/53/49/566305349.db2.gz ISGITBOOVHXKKK-FZMZJTMJSA-N -1 3 384.325 3.007 20 0 GGADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000420705545 566305365 /nfs/dbraw/zinc/30/53/65/566305365.db2.gz IVOIASSHDWZOQS-QWRGUYRKSA-N -1 3 381.416 3.299 20 0 GGADHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000462461148 566305404 /nfs/dbraw/zinc/30/54/04/566305404.db2.gz VYATVYKBUATBFG-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCOc2ccccc2F)c(Cl)c1Cl ZINC000462454171 566306184 /nfs/dbraw/zinc/30/61/84/566306184.db2.gz WJZWDRPIIRHHNT-UHFFFAOYSA-N -1 3 394.251 3.498 20 0 GGADHM COc1ccc(CNC[C@H](Cc2ccccc2)C(=O)[O-])c(Br)c1 ZINC000669469884 566306328 /nfs/dbraw/zinc/30/63/28/566306328.db2.gz FUIYAXXNQUAJGP-HNNXBMFYSA-N -1 3 378.266 3.491 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2)c(Br)c1 ZINC000462465999 566306962 /nfs/dbraw/zinc/30/69/62/566306962.db2.gz FXNPBWZDKSBFEV-UHFFFAOYSA-N -1 3 398.278 3.023 20 0 GGADHM O=C([O-])C[C@H](CNCc1cnn(Cc2ccccc2Cl)c1)C(F)(F)F ZINC000669479351 566307288 /nfs/dbraw/zinc/30/72/88/566307288.db2.gz DZOZWXOEFHYDJZ-CYBMUJFWSA-N -1 3 375.778 3.328 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCC(C)C)c(Br)c1 ZINC000462471135 566307135 /nfs/dbraw/zinc/30/71/35/566307135.db2.gz UUSASXYORSONGY-LLVKDONJSA-N -1 3 392.315 3.339 20 0 GGADHM COCc1nc([N-]C(=O)c2cnc(-c3ccco3)s2)sc1C(=O)OC ZINC000556492817 566307235 /nfs/dbraw/zinc/30/72/35/566307235.db2.gz XMBCWWXGCQAKBC-UHFFFAOYSA-N -1 3 379.419 3.045 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC(C)C)c(Br)c1 ZINC000462471137 566307852 /nfs/dbraw/zinc/30/78/52/566307852.db2.gz UUSASXYORSONGY-NSHDSACASA-N -1 3 392.315 3.339 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1OC(F)F ZINC000420717086 566308212 /nfs/dbraw/zinc/30/82/12/566308212.db2.gz DKPDFZKCRSGHAJ-QWHCGFSZSA-N -1 3 375.343 3.401 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1cc(Br)ccc1Cl ZINC000420718117 566308332 /nfs/dbraw/zinc/30/83/32/566308332.db2.gz NEOMVUGLLVUPOA-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1ccc(Cl)cc1Br ZINC000420717795 566308412 /nfs/dbraw/zinc/30/84/12/566308412.db2.gz MRIKPNNQINFOAP-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM COC1CCC(C)(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420720243 566308512 /nfs/dbraw/zinc/30/85/12/566308512.db2.gz HRZKHVJVVWCGGV-UHFFFAOYSA-N -1 3 381.416 3.301 20 0 GGADHM [O-]c1ccc(Cl)c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000625334708 566308969 /nfs/dbraw/zinc/30/89/69/566308969.db2.gz OSFSBACBZAFCNK-UHFFFAOYSA-N -1 3 378.807 3.238 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1nc(C(F)(F)F)cs1 ZINC000420730882 566310076 /nfs/dbraw/zinc/31/00/76/566310076.db2.gz SBKPGQSABGWDRH-MRVPVSSYSA-N -1 3 378.397 3.136 20 0 GGADHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000445744809 566310150 /nfs/dbraw/zinc/31/01/50/566310150.db2.gz XEBPSLJJVCYPPB-UHFFFAOYSA-N -1 3 387.299 3.365 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)C(C)C)cc1 ZINC000445752758 566310243 /nfs/dbraw/zinc/31/02/43/566310243.db2.gz WZCBVVNWRYTHBP-UHFFFAOYSA-N -1 3 390.571 3.189 20 0 GGADHM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000600011053 566310358 /nfs/dbraw/zinc/31/03/58/566310358.db2.gz NXWPGTWYHBUNMQ-SNVBAGLBSA-N -1 3 384.270 3.490 20 0 GGADHM C[C@H](CC(=O)OC(C)(C)C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482476827 566310850 /nfs/dbraw/zinc/31/08/50/566310850.db2.gz KUBOKASQWBVZQC-SNVBAGLBSA-N -1 3 387.274 3.074 20 0 GGADHM C[C@@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Br)c1 ZINC000462487615 566310969 /nfs/dbraw/zinc/31/09/69/566310969.db2.gz GDHNEJXCCNNNQA-SSDOTTSWSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000462487615 566310975 /nfs/dbraw/zinc/31/09/75/566310975.db2.gz GDHNEJXCCNNNQA-SSDOTTSWSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Br)c1 ZINC000462487615 566310981 /nfs/dbraw/zinc/31/09/81/566310981.db2.gz GDHNEJXCCNNNQA-SSDOTTSWSA-N -1 3 377.164 3.006 20 0 GGADHM O=S(=O)([N-][C@@H](CC(F)F)c1ccccc1)c1cnn(CC(F)(F)F)c1 ZINC000420737197 566311028 /nfs/dbraw/zinc/31/10/28/566311028.db2.gz MAIOSAGLOBJZRO-LBPRGKRZSA-N -1 3 383.342 3.120 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc(-c2ccccc2F)cs1 ZINC000420735705 566311062 /nfs/dbraw/zinc/31/10/62/566311062.db2.gz XJHFCQORBDLRBR-ZDUSSCGKSA-N -1 3 386.514 3.430 20 0 GGADHM Cc1nn(C)c(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c1C(F)F ZINC000420734083 566311398 /nfs/dbraw/zinc/31/13/98/566311398.db2.gz IUQGVDGZXWLVAN-NSHDSACASA-N -1 3 379.379 3.341 20 0 GGADHM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1cc([O-])cc(Br)c1 ZINC000600048215 566312260 /nfs/dbraw/zinc/31/22/60/566312260.db2.gz QKQYVXABAMGCCJ-UHFFFAOYSA-N -1 3 382.214 3.085 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1ccc(F)cc1Br ZINC000462498701 566312573 /nfs/dbraw/zinc/31/25/73/566312573.db2.gz FFYFZRYRQLIGMB-IUODEOHRSA-N -1 3 384.270 3.498 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)cs1 ZINC000420743894 566312582 /nfs/dbraw/zinc/31/25/82/566312582.db2.gz WWMHDRPUGHZNPW-LBPRGKRZSA-N -1 3 375.418 3.210 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@@H]2CCCO[C@@H]21 ZINC000462494070 566312937 /nfs/dbraw/zinc/31/29/37/566312937.db2.gz XHDQNLXHWSOIEY-GDLCADMTSA-N -1 3 381.391 3.326 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1ccc(F)cc1Br ZINC000462498700 566312950 /nfs/dbraw/zinc/31/29/50/566312950.db2.gz FFYFZRYRQLIGMB-DOMZBBRYSA-N -1 3 384.270 3.498 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c1 ZINC000420744543 566313381 /nfs/dbraw/zinc/31/33/81/566313381.db2.gz XLWJKJDCCUMXKG-LBPRGKRZSA-N -1 3 375.418 3.210 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1cc(F)ccc1OC(F)F ZINC000420743761 566313399 /nfs/dbraw/zinc/31/33/99/566313399.db2.gz FBKMVGYJJXWPDM-WCQYABFASA-N -1 3 375.343 3.401 20 0 GGADHM COc1cc(C(=O)N(C)Cc2cccc(Br)c2)cc(OC)c1[O-] ZINC000482507116 566313382 /nfs/dbraw/zinc/31/33/82/566313382.db2.gz RBWQJWMNXMRTQH-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)o1 ZINC000420738995 566313561 /nfs/dbraw/zinc/31/35/61/566313561.db2.gz XZBMRQTTWHZJRH-UHFFFAOYSA-N -1 3 378.372 3.155 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Cl)c1ccc(Br)cn1 ZINC000462501564 566314296 /nfs/dbraw/zinc/31/42/96/566314296.db2.gz DWBBRDUNBSFAMQ-CYBMUJFWSA-N -1 3 387.686 3.463 20 0 GGADHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420750196 566315199 /nfs/dbraw/zinc/31/51/99/566315199.db2.gz MXAOEPLRSPGFBA-UHFFFAOYSA-N -1 3 382.860 3.094 20 0 GGADHM CCCOc1ccc(C(=O)N=c2[n-]n(C)cc2Br)c(OC(C)C)c1 ZINC000576109632 566315671 /nfs/dbraw/zinc/31/56/71/566315671.db2.gz YNYUMWBVCIXKKE-UHFFFAOYSA-N -1 3 396.285 3.433 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1Cl)c1ccc(Br)cn1 ZINC000462515909 566315769 /nfs/dbraw/zinc/31/57/69/566315769.db2.gz VWBPCBBBCXDCFI-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC000420769505 566317083 /nfs/dbraw/zinc/31/70/83/566317083.db2.gz YNELBKFHDNCDMT-UHFFFAOYSA-N -1 3 377.297 3.379 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCn1ccc2cc(Cl)ccc21 ZINC000509584239 566317450 /nfs/dbraw/zinc/31/74/50/566317450.db2.gz BYWBQNNTWBEBSF-UHFFFAOYSA-N -1 3 398.893 3.121 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000509575439 566317912 /nfs/dbraw/zinc/31/79/12/566317912.db2.gz OWPNVDLLCKDKMF-UHFFFAOYSA-N -1 3 377.434 3.171 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000509592615 566319081 /nfs/dbraw/zinc/31/90/81/566319081.db2.gz PCTFLRZBTNNNNX-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)s1 ZINC000462537932 566319264 /nfs/dbraw/zinc/31/92/64/566319264.db2.gz QDWVALSHHFGWNN-LURJTMIESA-N -1 3 396.250 3.065 20 0 GGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)N(C)c1ccccc1 ZINC000482580383 566319219 /nfs/dbraw/zinc/31/92/19/566319219.db2.gz QLTAQERYGMDKHL-ZDUSSCGKSA-N -1 3 392.297 3.479 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c(Cl)c1Cl ZINC000462534859 566319290 /nfs/dbraw/zinc/31/92/90/566319290.db2.gz GPFUXPPYWOLRRQ-SSDOTTSWSA-N -1 3 396.214 3.248 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462543414 566320499 /nfs/dbraw/zinc/32/04/99/566320499.db2.gz TZGAVJZPAGNPLJ-NHYWBVRUSA-N -1 3 394.306 3.462 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)CN2CCCCC2)s1 ZINC000462541573 566320732 /nfs/dbraw/zinc/32/07/32/566320732.db2.gz FEIXWGPVYRYXLN-NSHDSACASA-N -1 3 395.388 3.219 20 0 GGADHM O=S(=O)([N-]Cc1ccc2ccccc2c1)c1ccc(Br)cn1 ZINC000462545830 566320915 /nfs/dbraw/zinc/32/09/15/566320915.db2.gz FPQNGXXWEGGLMK-UHFFFAOYSA-N -1 3 377.263 3.476 20 0 GGADHM CCCC[C@H](CCC)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000482616560 566321431 /nfs/dbraw/zinc/32/14/31/566321431.db2.gz VBWXTILXAIWVTL-ZDUSSCGKSA-N -1 3 376.469 3.108 20 0 GGADHM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462554023 566322543 /nfs/dbraw/zinc/32/25/43/566322543.db2.gz UJPIDCJCUGADBW-ZDUSSCGKSA-N -1 3 399.310 3.207 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)c1Cl ZINC000576196572 566323327 /nfs/dbraw/zinc/32/33/27/566323327.db2.gz CSKSMUCGXZTQDS-SWLSCSKDSA-N -1 3 378.321 3.377 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](C)CC ZINC000462565273 566323615 /nfs/dbraw/zinc/32/36/15/566323615.db2.gz LRWFJQGVCUQGFL-TVQRCGJNSA-N -1 3 385.379 3.101 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)n1 ZINC000509644167 566323680 /nfs/dbraw/zinc/32/36/80/566323680.db2.gz ZUPZFYVEQWREKH-UHFFFAOYSA-N -1 3 376.375 3.459 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H](C)CC ZINC000462566851 566324044 /nfs/dbraw/zinc/32/40/44/566324044.db2.gz VEGPCKOFHJQEIJ-DOMZBBRYSA-N -1 3 382.507 3.066 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@@H](C)CC ZINC000462564321 566324064 /nfs/dbraw/zinc/32/40/64/566324064.db2.gz GGBMDPQCKLWTRL-LKFCYVNXSA-N -1 3 398.308 3.258 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](C)CC ZINC000462565272 566324103 /nfs/dbraw/zinc/32/41/03/566324103.db2.gz LRWFJQGVCUQGFL-RNCFNFMXSA-N -1 3 385.379 3.101 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1 ZINC000509640890 566324419 /nfs/dbraw/zinc/32/44/19/566324419.db2.gz XPFPHAMVQASJQZ-UHFFFAOYSA-N -1 3 392.786 3.276 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@H](C)CC ZINC000462569198 566324793 /nfs/dbraw/zinc/32/47/93/566324793.db2.gz ZXGZEFHHFVFSBS-KCJUWKMLSA-N -1 3 398.344 3.075 20 0 GGADHM COC(=O)[C@@H]1CN(Cc2cccc([O-])c2Br)Cc2ccccc21 ZINC000600216045 566325029 /nfs/dbraw/zinc/32/50/29/566325029.db2.gz QZPLHCAJKIRMGB-OAHLLOKOSA-N -1 3 376.250 3.427 20 0 GGADHM COC(=O)c1cc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc(Cl)c1F ZINC000482652214 566325271 /nfs/dbraw/zinc/32/52/71/566325271.db2.gz BKMBUFSNHOCGCZ-UHFFFAOYSA-N -1 3 385.804 3.044 20 0 GGADHM O=C(NCCSc1ccc(Cl)cc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482650795 566325541 /nfs/dbraw/zinc/32/55/41/566325541.db2.gz ZUJCEHUXSGDBSM-UHFFFAOYSA-N -1 3 379.795 3.068 20 0 GGADHM O=C(NCCSc1ccc(Cl)cc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482650795 566325548 /nfs/dbraw/zinc/32/55/48/566325548.db2.gz ZUJCEHUXSGDBSM-UHFFFAOYSA-N -1 3 379.795 3.068 20 0 GGADHM O=C(NCCSc1ccc(Cl)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482650795 566325553 /nfs/dbraw/zinc/32/55/53/566325553.db2.gz ZUJCEHUXSGDBSM-UHFFFAOYSA-N -1 3 379.795 3.068 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000509660434 566326666 /nfs/dbraw/zinc/32/66/66/566326666.db2.gz ZQFPANXLDXRKKD-LRDDRELGSA-N -1 3 390.933 3.277 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1F)Oc1cccc(Br)c1 ZINC000462581518 566326954 /nfs/dbraw/zinc/32/69/54/566326954.db2.gz RFPUEHNMWGPMRF-LLVKDONJSA-N -1 3 388.258 3.334 20 0 GGADHM NS(=O)(=O)c1ccsc1C(=O)[N-]c1nc(-c2ccccc2Cl)cs1 ZINC000669775225 566327673 /nfs/dbraw/zinc/32/76/73/566327673.db2.gz ADQXQVKPBOQQGG-UHFFFAOYSA-N -1 3 399.906 3.425 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000625500185 566329419 /nfs/dbraw/zinc/32/94/19/566329419.db2.gz PDDGXEGIRJPZMP-KRWDZBQOSA-N -1 3 391.892 3.177 20 0 GGADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576273201 566329790 /nfs/dbraw/zinc/32/97/90/566329790.db2.gz JTKVSJVQJCMHPA-XBXGTLAGSA-N -1 3 378.416 3.251 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCCC1 ZINC000625546455 566333568 /nfs/dbraw/zinc/33/35/68/566333568.db2.gz RLRWLRPXYKICMS-UHFFFAOYSA-N -1 3 380.691 3.140 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)CCc3cccc(Cl)c3)CCCCC2)no1 ZINC000556809208 566334036 /nfs/dbraw/zinc/33/40/36/566334036.db2.gz AQWWBBBVMYAZMK-UHFFFAOYSA-N -1 3 383.901 3.353 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCCC1 ZINC000625545614 566334311 /nfs/dbraw/zinc/33/43/11/566334311.db2.gz DSSAYNDDWXBQMA-UHFFFAOYSA-N -1 3 380.691 3.140 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]CC(=O)c1cccc(Cl)c1Cl ZINC000625548317 566334322 /nfs/dbraw/zinc/33/43/22/566334322.db2.gz HXIUWZIZDJHGPE-LLVKDONJSA-N -1 3 382.309 3.157 20 0 GGADHM CCC(CC)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000669879909 566334284 /nfs/dbraw/zinc/33/42/84/566334284.db2.gz XAOFSXMKOZRSMT-UHFFFAOYSA-N -1 3 378.897 3.090 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CCCC1 ZINC000625545821 566334431 /nfs/dbraw/zinc/33/44/31/566334431.db2.gz INKFIGIEANDFSJ-UHFFFAOYSA-N -1 3 380.691 3.140 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000509747045 566334837 /nfs/dbraw/zinc/33/48/37/566334837.db2.gz SSWUNFPPRWMZCD-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM C[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccsc1 ZINC000669883523 566334928 /nfs/dbraw/zinc/33/49/28/566334928.db2.gz OUAAAJUEBSNJOA-LBPRGKRZSA-N -1 3 399.563 3.023 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535895046 566335911 /nfs/dbraw/zinc/33/59/11/566335911.db2.gz OOOUERMMRMLUCE-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000509772278 566336048 /nfs/dbraw/zinc/33/60/48/566336048.db2.gz PUNWCRBTYCCBAD-UFBFGSQYSA-N -1 3 386.823 3.261 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446228903 566337060 /nfs/dbraw/zinc/33/70/60/566337060.db2.gz XTWSYOMEGLMHAZ-LLVKDONJSA-N -1 3 379.185 3.358 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC000535901557 566337389 /nfs/dbraw/zinc/33/73/89/566337389.db2.gz NGTGAGWWBVBOCM-CQSZACIVSA-N -1 3 379.881 3.265 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000509783056 566338036 /nfs/dbraw/zinc/33/80/36/566338036.db2.gz OTQWFABHSVOSMO-MRXNPFEDSA-N -1 3 384.885 3.391 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000462669002 566338498 /nfs/dbraw/zinc/33/84/98/566338498.db2.gz PPKMKZVUYSQVFW-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000535913398 566338749 /nfs/dbraw/zinc/33/87/49/566338749.db2.gz IDBHHBLFEBBWMO-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(Cl)c1 ZINC000535918258 566339019 /nfs/dbraw/zinc/33/90/19/566339019.db2.gz KZXCFMXELKSSCX-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM CC1=CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000535951918 566339506 /nfs/dbraw/zinc/33/95/06/566339506.db2.gz NKJKLEBKGIQXIU-UHFFFAOYSA-N -1 3 382.532 3.080 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000462680440 566339525 /nfs/dbraw/zinc/33/95/25/566339525.db2.gz PECBSQPDAMHBIO-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CCc1nc2ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000649028904 566339995 /nfs/dbraw/zinc/33/99/95/566339995.db2.gz UOCDRFKWEFLGPQ-SNVBAGLBSA-N -1 3 395.531 3.226 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c(Cl)c1Cl ZINC000576378585 566340631 /nfs/dbraw/zinc/34/06/31/566340631.db2.gz LBKHZGQIENGXIN-UHFFFAOYSA-N -1 3 391.276 3.347 20 0 GGADHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000462692014 566341172 /nfs/dbraw/zinc/34/11/72/566341172.db2.gz UXNAQBPDDPGTTN-LBPRGKRZSA-N -1 3 395.786 3.266 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000462697588 566342533 /nfs/dbraw/zinc/34/25/33/566342533.db2.gz AWTMWXPLKDHSOG-ZDUSSCGKSA-N -1 3 388.272 3.229 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000462701217 566342621 /nfs/dbraw/zinc/34/26/21/566342621.db2.gz JMBGDEPVEDQXAQ-CQSZACIVSA-N -1 3 375.519 3.448 20 0 GGADHM O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482918016 566342672 /nfs/dbraw/zinc/34/26/72/566342672.db2.gz KDNMJVHPGDKQPA-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482918016 566342679 /nfs/dbraw/zinc/34/26/79/566342679.db2.gz KDNMJVHPGDKQPA-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482918016 566342687 /nfs/dbraw/zinc/34/26/87/566342687.db2.gz KDNMJVHPGDKQPA-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM C[C@]([N-]S(=O)(=O)c1csc2ccccc21)(C(N)=O)c1cccc(Cl)c1 ZINC000509861359 566342982 /nfs/dbraw/zinc/34/29/82/566342982.db2.gz CBMVVLIWSFMUGF-QGZVFWFLSA-N -1 3 394.905 3.234 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000536004369 566343417 /nfs/dbraw/zinc/34/34/17/566343417.db2.gz TWGVOPHOPXFHPR-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COC[C@H](C)Cc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000576416467 566343562 /nfs/dbraw/zinc/34/35/62/566343562.db2.gz DQQWOVCPBLSLDM-SECBINFHSA-N -1 3 378.230 3.109 20 0 GGADHM COC[C@H](C)Cc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000576416467 566343568 /nfs/dbraw/zinc/34/35/68/566343568.db2.gz DQQWOVCPBLSLDM-SECBINFHSA-N -1 3 378.230 3.109 20 0 GGADHM COC[C@H](C)Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000576416467 566343572 /nfs/dbraw/zinc/34/35/72/566343572.db2.gz DQQWOVCPBLSLDM-SECBINFHSA-N -1 3 378.230 3.109 20 0 GGADHM COC[C@@H](C)Cc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000576416468 566343899 /nfs/dbraw/zinc/34/38/99/566343899.db2.gz DQQWOVCPBLSLDM-VIFPVBQESA-N -1 3 378.230 3.109 20 0 GGADHM COC[C@@H](C)Cc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000576416468 566343902 /nfs/dbraw/zinc/34/39/02/566343902.db2.gz DQQWOVCPBLSLDM-VIFPVBQESA-N -1 3 378.230 3.109 20 0 GGADHM COC[C@@H](C)Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000576416468 566343906 /nfs/dbraw/zinc/34/39/06/566343906.db2.gz DQQWOVCPBLSLDM-VIFPVBQESA-N -1 3 378.230 3.109 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000625627973 566344033 /nfs/dbraw/zinc/34/40/33/566344033.db2.gz YMNHDXUWIONGDW-AWEZNQCLSA-N -1 3 392.308 3.173 20 0 GGADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000509878825 566344384 /nfs/dbraw/zinc/34/43/84/566344384.db2.gz PCEFQFTYDSLQBS-UHFFFAOYSA-N -1 3 390.933 3.203 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000462704162 566345140 /nfs/dbraw/zinc/34/51/40/566345140.db2.gz SXTNALFTSWIAMO-HNNXBMFYSA-N -1 3 388.272 3.229 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c2nccn21 ZINC000576435670 566345597 /nfs/dbraw/zinc/34/55/97/566345597.db2.gz ZSOCYAINMWEKMF-KWQFWETISA-N -1 3 390.690 3.283 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 ZINC000462710180 566345848 /nfs/dbraw/zinc/34/58/48/566345848.db2.gz XSTKOHPOTKYCGE-RISCZKNCSA-N -1 3 399.299 3.466 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000462710057 566345900 /nfs/dbraw/zinc/34/59/00/566345900.db2.gz VZGPERVYFUCQPI-ZDUSSCGKSA-N -1 3 383.311 3.370 20 0 GGADHM O=C1NCCCN(Cc2cc([O-])ccc2Br)[C@@H]1Cc1ccccc1 ZINC000556933686 566346055 /nfs/dbraw/zinc/34/60/55/566346055.db2.gz PCUMRTXWGLFPHI-GOSISDBHSA-N -1 3 389.293 3.088 20 0 GGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000462714030 566346265 /nfs/dbraw/zinc/34/62/65/566346265.db2.gz CMFNXCKUOGWAKJ-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)CC)cc1 ZINC000462710862 566346611 /nfs/dbraw/zinc/34/66/11/566346611.db2.gz GYSXRAPCPUZABG-LSDHHAIUSA-N -1 3 390.571 3.331 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 ZINC000462709808 566346716 /nfs/dbraw/zinc/34/67/16/566346716.db2.gz KWRQMPCZTOKVEI-ABAIWWIYSA-N -1 3 399.299 3.466 20 0 GGADHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1cc(Cl)ccc1C(F)(F)F ZINC000509917651 566346803 /nfs/dbraw/zinc/34/68/03/566346803.db2.gz VBLAZVYSYUVDAV-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509918452 566346822 /nfs/dbraw/zinc/34/68/22/566346822.db2.gz YQLSCJAKQDHCHH-VIFPVBQESA-N -1 3 387.807 3.225 20 0 GGADHM Cc1oc(C(C)C)cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000556944352 566347850 /nfs/dbraw/zinc/34/78/50/566347850.db2.gz YCRBFEKZDBTLTB-UHFFFAOYSA-N -1 3 390.914 3.135 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000462720810 566347737 /nfs/dbraw/zinc/34/77/37/566347737.db2.gz JCWFCIMWOOZEQM-ZDUSSCGKSA-N -1 3 383.311 3.370 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000462720453 566348230 /nfs/dbraw/zinc/34/82/30/566348230.db2.gz JGGIDJQYASABFX-LBPRGKRZSA-N -1 3 388.272 3.229 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1 ZINC000421138393 566348199 /nfs/dbraw/zinc/34/81/99/566348199.db2.gz AVVIPKRUIMBHDG-HNNXBMFYSA-N -1 3 383.539 3.374 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000462720809 566348274 /nfs/dbraw/zinc/34/82/74/566348274.db2.gz JCWFCIMWOOZEQM-CYBMUJFWSA-N -1 3 383.311 3.370 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cn1 ZINC000556940024 566348388 /nfs/dbraw/zinc/34/83/88/566348388.db2.gz QLAPXAYBXJOESV-UHFFFAOYSA-N -1 3 376.768 3.260 20 0 GGADHM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1=O ZINC000509934021 566349164 /nfs/dbraw/zinc/34/91/64/566349164.db2.gz ZRVOBIUOBKHRTK-SNVBAGLBSA-N -1 3 398.834 3.037 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)ccc1Br ZINC000421152641 566349291 /nfs/dbraw/zinc/34/92/91/566349291.db2.gz LBLBANBBIBFELX-LBPRGKRZSA-N -1 3 380.304 3.261 20 0 GGADHM CCC1(C)CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000462736286 566349511 /nfs/dbraw/zinc/34/95/11/566349511.db2.gz GFBFXEZMIMENOD-UHFFFAOYSA-N -1 3 384.548 3.160 20 0 GGADHM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576478165 566349909 /nfs/dbraw/zinc/34/99/09/566349909.db2.gz QYFFZMPVDQFVKF-MQMHXKEQSA-N -1 3 388.265 3.498 20 0 GGADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(Br)c(=O)[nH]c2C)[nH][n-]1 ZINC000556960200 566350142 /nfs/dbraw/zinc/35/01/42/566350142.db2.gz MXOMUDMVLXISMP-UHFFFAOYSA-N -1 3 387.237 3.231 20 0 GGADHM O=S(=O)(CCC1CC1)[N-]c1cc(F)c(I)c(F)c1 ZINC000536117802 566351291 /nfs/dbraw/zinc/35/12/91/566351291.db2.gz YHNCOEVQIPDAPO-UHFFFAOYSA-N -1 3 387.189 3.111 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCCCC2)c1)OC ZINC000421162685 566351391 /nfs/dbraw/zinc/35/13/91/566351391.db2.gz ZULZQFAOBAPAKQ-OSPHWJPCSA-N -1 3 387.567 3.435 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccoc2)CCCN1c1ccc(Cl)cc1Cl ZINC000509973594 566351826 /nfs/dbraw/zinc/35/18/26/566351826.db2.gz FJOXEQXRCKXJEL-ZDUSSCGKSA-N -1 3 389.260 3.060 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1C ZINC000509962780 566351988 /nfs/dbraw/zinc/35/19/88/566351988.db2.gz ZIJQZSASOVOYRM-UHFFFAOYSA-N -1 3 396.822 3.089 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Sc2nnc(C)s2)cc1C)OC ZINC000421153960 566351929 /nfs/dbraw/zinc/35/19/29/566351929.db2.gz MGWVOAKTSSIFPQ-GFCCVEGCSA-N -1 3 387.552 3.473 20 0 GGADHM O=C(NCCCCn1ccnc1)c1c([O-])cnc2c(Br)cccc21 ZINC000576506946 566352378 /nfs/dbraw/zinc/35/23/78/566352378.db2.gz XIWKNPDOYDNYHN-UHFFFAOYSA-N -1 3 389.253 3.110 20 0 GGADHM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000509987377 566354407 /nfs/dbraw/zinc/35/44/07/566354407.db2.gz QPLKPWBACTYBAA-JTQLQIEISA-N -1 3 399.244 3.092 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1cc(Cl)ccc1C(F)(F)F ZINC000510013739 566356706 /nfs/dbraw/zinc/35/67/06/566356706.db2.gz KWJFXNMBMMLLGH-LLVKDONJSA-N -1 3 383.775 3.354 20 0 GGADHM COc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)ccc1Br ZINC000536189868 566356893 /nfs/dbraw/zinc/35/68/93/566356893.db2.gz 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566360949 /nfs/dbraw/zinc/36/09/49/566360949.db2.gz BSHJJPXSBNVEJO-UHFFFAOYSA-N -1 3 381.807 3.133 20 0 GGADHM CC(=O)NCc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000483172760 566362219 /nfs/dbraw/zinc/36/22/19/566362219.db2.gz YCRXUUPITZCZKB-UHFFFAOYSA-N -1 3 392.253 3.113 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000510066455 566362486 /nfs/dbraw/zinc/36/24/86/566362486.db2.gz QQOWHZRVAAZXLB-CYBMUJFWSA-N -1 3 385.835 3.434 20 0 GGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000446761872 566365636 /nfs/dbraw/zinc/36/56/36/566365636.db2.gz MLDHHXHUUFFWFH-UHFFFAOYSA-N -1 3 386.832 3.301 20 0 GGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC000446762651 566365659 /nfs/dbraw/zinc/36/56/59/566365659.db2.gz VANGGZSFLQHAFE-UHFFFAOYSA-N -1 3 386.832 3.301 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccc(C)nc1 ZINC000600778064 566365798 /nfs/dbraw/zinc/36/57/98/566365798.db2.gz PCOPLSICXXZFEG-UHFFFAOYSA-N -1 3 399.310 3.072 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)cs1 ZINC000600787181 566365919 /nfs/dbraw/zinc/36/59/19/566365919.db2.gz OJYXXXLBJPXABB-NXEZZACHSA-N -1 3 387.552 3.004 20 0 GGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000446762205 566365911 /nfs/dbraw/zinc/36/59/11/566365911.db2.gz NRKFUOPLLQYLBR-UHFFFAOYSA-N -1 3 386.832 3.301 20 0 GGADHM CCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000649469343 566366825 /nfs/dbraw/zinc/36/68/25/566366825.db2.gz LDCCEMSCDXQMIZ-UHFFFAOYSA-N -1 3 380.779 3.407 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)CCCC1 ZINC000576676481 566369167 /nfs/dbraw/zinc/36/91/67/566369167.db2.gz JSGXDZZQZMBQEJ-UHFFFAOYSA-N -1 3 379.400 3.267 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2Br)cs1 ZINC000536411207 566370949 /nfs/dbraw/zinc/37/09/49/566370949.db2.gz NOAHQFKPZZQPTH-UHFFFAOYSA-N -1 3 390.280 3.406 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1C(F)(F)F)c1ccc(F)cc1Cl ZINC000446921437 566371290 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COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)cc1Cl ZINC000557211599 566373989 /nfs/dbraw/zinc/37/39/89/566373989.db2.gz QUEZRBMSOPIAFB-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM CCCN(CCC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000510336558 566375717 /nfs/dbraw/zinc/37/57/17/566375717.db2.gz YFKMWIBZLKYNQK-UHFFFAOYSA-N -1 3 396.340 3.103 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)CNCc1c(F)ccc([O-])c1F ZINC000510315170 566375909 /nfs/dbraw/zinc/37/59/09/566375909.db2.gz OSGAPSYUCOWETA-UHFFFAOYSA-N -1 3 385.208 3.470 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cc(Br)cc2c1OCC2 ZINC000463018014 566377345 /nfs/dbraw/zinc/37/73/45/566377345.db2.gz BRQLKKWPUWZYBG-UHFFFAOYSA-N -1 3 395.228 3.228 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)c1nncn1C ZINC000510363087 566378036 /nfs/dbraw/zinc/37/80/36/566378036.db2.gz KMGUAVJZDFFCSS-HNNXBMFYSA-N -1 3 378.885 3.297 20 0 GGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccco1 ZINC000510395846 566379295 /nfs/dbraw/zinc/37/92/95/566379295.db2.gz SDNUMAAEQRSDBN-DOMZBBRYSA-N -1 3 386.901 3.349 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000536501302 566379605 /nfs/dbraw/zinc/37/96/05/566379605.db2.gz FRIFWPGDJZJQMW-ZCFIWIBFSA-N -1 3 383.688 3.367 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n[nH]1 ZINC000536502359 566379870 /nfs/dbraw/zinc/37/98/70/566379870.db2.gz NIFBTCPMKHBUBK-LLVKDONJSA-N -1 3 377.495 3.091 20 0 GGADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccco1 ZINC000510395849 566380148 /nfs/dbraw/zinc/38/01/48/566380148.db2.gz SDNUMAAEQRSDBN-SWLSCSKDSA-N -1 3 386.901 3.349 20 0 GGADHM Cc1cc(Br)c(CNCCSCC(=O)[O-])cc1Br ZINC000600942533 566382266 /nfs/dbraw/zinc/38/22/66/566382266.db2.gz DGZIYLREVBJHRR-UHFFFAOYSA-N -1 3 397.132 3.427 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000576838027 566383181 /nfs/dbraw/zinc/38/31/81/566383181.db2.gz MVBTWRXHUQSCNS-KGLIPLIRSA-N -1 3 391.320 3.205 20 0 GGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1 ZINC000510446946 566383271 /nfs/dbraw/zinc/38/32/71/566383271.db2.gz VJTQHGAVVBKNMO-PWSUYJOCSA-N -1 3 376.400 3.105 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000510441281 566383464 /nfs/dbraw/zinc/38/34/64/566383464.db2.gz FUYVVADYSPWSLD-ZDUSSCGKSA-N -1 3 377.363 3.008 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc3cc(Br)cnc32)c(=O)[n-]1 ZINC000557417629 566383788 /nfs/dbraw/zinc/38/37/88/566383788.db2.gz PNPZLUPJAHCTTE-UHFFFAOYSA-N -1 3 387.237 3.291 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CSc1cccc(Br)c1 ZINC000536577669 566384535 /nfs/dbraw/zinc/38/45/35/566384535.db2.gz GUARYGXEOJWGRP-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CSc1cccc(Br)c1 ZINC000536577669 566384543 /nfs/dbraw/zinc/38/45/43/566384543.db2.gz GUARYGXEOJWGRP-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000557411215 566384769 /nfs/dbraw/zinc/38/47/69/566384769.db2.gz DNWZYDSKSWULDA-UHFFFAOYSA-N -1 3 395.893 3.452 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000510467920 566384770 /nfs/dbraw/zinc/38/47/70/566384770.db2.gz UQOJNEOJORUHGU-CYBMUJFWSA-N -1 3 379.265 3.000 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 ZINC000510461538 566385165 /nfs/dbraw/zinc/38/51/65/566385165.db2.gz PWBYLDODEXIJCB-LBPRGKRZSA-N -1 3 378.256 3.296 20 0 GGADHM CC[C@@]([N-]S(=O)(=O)c1cccc(C)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510467016 566385191 /nfs/dbraw/zinc/38/51/91/566385191.db2.gz FIHZHUPONMJAQV-SFHVURJKSA-N -1 3 381.881 3.405 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CC(=O)N1 ZINC000463164344 566387301 /nfs/dbraw/zinc/38/73/01/566387301.db2.gz FMJAQKTTXRYGTR-WCBMZHEXSA-N -1 3 382.251 3.022 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000510486407 566387358 /nfs/dbraw/zinc/38/73/58/566387358.db2.gz ZFOWFDQPPUSXKT-UWVGGRQHSA-N -1 3 382.707 3.053 20 0 GGADHM O=C(CCOC[C@H]1CCCO1)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463165970 566387806 /nfs/dbraw/zinc/38/78/06/566387806.db2.gz YTIVLUKLBCGUMB-LLVKDONJSA-N -1 3 385.251 3.303 20 0 GGADHM O=C(CCOC[C@@H]1CCCO1)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463165971 566388069 /nfs/dbraw/zinc/38/80/69/566388069.db2.gz YTIVLUKLBCGUMB-NSHDSACASA-N -1 3 385.251 3.303 20 0 GGADHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000510486406 566388230 /nfs/dbraw/zinc/38/82/30/566388230.db2.gz ZFOWFDQPPUSXKT-NXEZZACHSA-N -1 3 382.707 3.053 20 0 GGADHM CC[C@]([N-]S(=O)(=O)c1ccc(SC)cc1)(C(=O)OC)c1ccccc1 ZINC000510488240 566388533 /nfs/dbraw/zinc/38/85/33/566388533.db2.gz FDKOPTHKBMNADM-GOSISDBHSA-N -1 3 379.503 3.165 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2cc(I)ccc2C)cs1 ZINC000483524213 566388687 /nfs/dbraw/zinc/38/86/87/566388687.db2.gz MEDWROYQGQITLF-UHFFFAOYSA-N -1 3 387.246 3.162 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000463173792 566388953 /nfs/dbraw/zinc/38/89/53/566388953.db2.gz 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C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483558409 566390742 /nfs/dbraw/zinc/39/07/42/566390742.db2.gz LJCMDTHNVOTCNC-SECBINFHSA-N -1 3 375.782 3.250 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483564322 566390944 /nfs/dbraw/zinc/39/09/44/566390944.db2.gz CVABKPSKNYCCME-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483564322 566390952 /nfs/dbraw/zinc/39/09/52/566390952.db2.gz CVABKPSKNYCCME-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483564322 566390956 /nfs/dbraw/zinc/39/09/56/566390956.db2.gz CVABKPSKNYCCME-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000483569409 566391006 /nfs/dbraw/zinc/39/10/06/566391006.db2.gz PTYISNWDORSJBC-UHFFFAOYSA-N -1 3 394.184 3.398 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000483569409 566391013 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GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000510536741 566392970 /nfs/dbraw/zinc/39/29/70/566392970.db2.gz FIXAHUIWCHQVBN-UWVGGRQHSA-N -1 3 382.707 3.053 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@](C)(CO)c2cccc(C(F)(F)F)c2)c1 ZINC000649786016 566393498 /nfs/dbraw/zinc/39/34/98/566393498.db2.gz PFKDCWXQEJLLFX-CQSZACIVSA-N -1 3 379.425 3.261 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000510539768 566393551 /nfs/dbraw/zinc/39/35/51/566393551.db2.gz RKAMEHDVRNAQNZ-VHSXEESVSA-N -1 3 382.707 3.053 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C ZINC000510555464 566394196 /nfs/dbraw/zinc/39/41/96/566394196.db2.gz WWBOESUDMAZEQR-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(C)(C)C ZINC000510566809 566394307 /nfs/dbraw/zinc/39/43/07/566394307.db2.gz VYNSHTKRNVSKDJ-LBPRGKRZSA-N -1 3 382.295 3.318 20 0 GGADHM C[C@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000510563221 566394402 /nfs/dbraw/zinc/39/44/02/566394402.db2.gz AACGROWLMSVVQZ-LLVKDONJSA-N -1 3 383.905 3.109 20 0 GGADHM C[C@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000510563221 566394408 /nfs/dbraw/zinc/39/44/08/566394408.db2.gz AACGROWLMSVVQZ-LLVKDONJSA-N -1 3 383.905 3.109 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000510567634 566394491 /nfs/dbraw/zinc/39/44/91/566394491.db2.gz CMFBKPMGQPXJFX-HNNXBMFYSA-N -1 3 394.896 3.167 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)no1 ZINC000576965196 566394701 /nfs/dbraw/zinc/39/47/01/566394701.db2.gz SEXBQZRPJSAYKU-UHFFFAOYSA-N -1 3 386.857 3.339 20 0 GGADHM CC[C@@]([N-]S(=O)(=O)Cc1ccccc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510559975 566395189 /nfs/dbraw/zinc/39/51/89/566395189.db2.gz POMUUDRYICBTRW-SFHVURJKSA-N -1 3 381.881 3.238 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC ZINC000510565147 566395287 /nfs/dbraw/zinc/39/52/87/566395287.db2.gz OFIKCVGTPIHISH-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C ZINC000510555463 566395349 /nfs/dbraw/zinc/39/53/49/566395349.db2.gz WWBOESUDMAZEQR-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)OC ZINC000510585049 566395846 /nfs/dbraw/zinc/39/58/46/566395846.db2.gz RVUQGLNCMZJVON-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC(F)(F)C2)ccc1F ZINC000483682262 566396105 /nfs/dbraw/zinc/39/61/05/566396105.db2.gz MEWROMSTTCUTGZ-SNVBAGLBSA-N -1 3 378.416 3.276 20 0 GGADHM Cc1cc(C)c(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)c1Br ZINC000626236856 566396134 /nfs/dbraw/zinc/39/61/34/566396134.db2.gz QZSDJDVGSVUEPW-UHFFFAOYSA-N -1 3 376.254 3.068 20 0 GGADHM O=c1[n-]cnc2c1CN(c1ccc3cc(Br)c(F)cc3n1)CC2 ZINC000557548729 566396357 /nfs/dbraw/zinc/39/63/57/566396357.db2.gz UWCJBKSEZQSPNL-UHFFFAOYSA-N -1 3 375.201 3.195 20 0 GGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000576997854 566396663 /nfs/dbraw/zinc/39/66/63/566396663.db2.gz ZVIPEWIRJOQWLL-ZFWWWQNUSA-N -1 3 376.544 3.084 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(C)(C)C ZINC000510585544 566396721 /nfs/dbraw/zinc/39/67/21/566396721.db2.gz WFKZLCHOOLFGCC-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM Cc1oc(C(C)C)nc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679365 566397172 /nfs/dbraw/zinc/39/71/72/566397172.db2.gz JXAGFXCNZPZBED-UHFFFAOYSA-N -1 3 395.179 3.302 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000577018877 566398617 /nfs/dbraw/zinc/39/86/17/566398617.db2.gz SFFHOFKOUFGIAZ-JTNHKYCSSA-N -1 3 388.917 3.410 20 0 GGADHM Cc1ccc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000421682576 566398905 /nfs/dbraw/zinc/39/89/05/566398905.db2.gz OZBCFSDKCIZJNG-UHFFFAOYSA-N -1 3 376.176 3.499 20 0 GGADHM CCS[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)C(C)C ZINC000421682428 566398953 /nfs/dbraw/zinc/39/89/53/566398953.db2.gz NUMCYILHUJTOKZ-VIFPVBQESA-N -1 3 388.253 3.346 20 0 GGADHM CC[C@@H](OC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421682691 566399163 /nfs/dbraw/zinc/39/91/63/566399163.db2.gz QGVSGBKJLBLZRO-LLVKDONJSA-N -1 3 398.223 3.306 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccncc1F ZINC000510612820 566399310 /nfs/dbraw/zinc/39/93/10/566399310.db2.gz DQRHDYSOAMIBKS-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM CSc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)o1 ZINC000421681883 566399415 /nfs/dbraw/zinc/39/94/15/566399415.db2.gz IUDGIDGLLLOFGD-UHFFFAOYSA-N -1 3 384.177 3.197 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000536754974 566399463 /nfs/dbraw/zinc/39/94/63/566399463.db2.gz BVUXKMPYIHRYPD-GXFFZTMASA-N -1 3 382.309 3.484 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000536754981 566399574 /nfs/dbraw/zinc/39/95/74/566399574.db2.gz BVUXKMPYIHRYPD-ZWNOBZJWSA-N -1 3 382.309 3.484 20 0 GGADHM COc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)ccc1C ZINC000421683979 566399596 /nfs/dbraw/zinc/39/95/96/566399596.db2.gz VVTKTVLXLFDUQJ-UHFFFAOYSA-N -1 3 392.175 3.199 20 0 GGADHM CCC[C@@H]1C[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCO1 ZINC000421681716 566399745 /nfs/dbraw/zinc/39/97/45/566399745.db2.gz IMCITKGHNSGCKX-NXEZZACHSA-N -1 3 398.223 3.164 20 0 GGADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccsc1 ZINC000421683574 566399947 /nfs/dbraw/zinc/39/99/47/566399947.db2.gz UCJKLXKFUNWVBO-SSDOTTSWSA-N -1 3 382.205 3.434 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccncc1F ZINC000510633571 566400517 /nfs/dbraw/zinc/40/05/17/566400517.db2.gz FIFFBTAWNREXRH-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccncc1F ZINC000510634131 566400524 /nfs/dbraw/zinc/40/05/24/566400524.db2.gz IXIGIRJYNOOEMA-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)OC ZINC000510639934 566400934 /nfs/dbraw/zinc/40/09/34/566400934.db2.gz YINXDOLYCTYXKG-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)OC ZINC000510627714 566401120 /nfs/dbraw/zinc/40/11/20/566401120.db2.gz LQADSMIXLCFZFE-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCC(=O)Nc1cccc(Cl)c1 ZINC000557592466 566401362 /nfs/dbraw/zinc/40/13/62/566401362.db2.gz CXUJHCABWLSZJN-UHFFFAOYSA-N -1 3 381.841 3.052 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCOCC1 ZINC000601356523 566402057 /nfs/dbraw/zinc/40/20/57/566402057.db2.gz BJAAJQKDXSWHLP-UHFFFAOYSA-N -1 3 384.548 3.001 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2F)on1 ZINC000510657884 566402266 /nfs/dbraw/zinc/40/22/66/566402266.db2.gz MKOIGNRLVBBQFN-VIFPVBQESA-N -1 3 377.235 3.065 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)Cc1cncc([O-])c1 ZINC000577086443 566402495 /nfs/dbraw/zinc/40/24/95/566402495.db2.gz BITBYSSUSWXCRM-UHFFFAOYSA-N -1 3 379.254 3.020 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccncc2F)sc1Br ZINC000510648634 566402591 /nfs/dbraw/zinc/40/25/91/566402591.db2.gz SCHAHLCRYCIISN-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1cscc1Br ZINC000601383968 566403242 /nfs/dbraw/zinc/40/32/42/566403242.db2.gz SOGMVCMBAGYXRK-UHFFFAOYSA-N -1 3 384.264 3.084 20 0 GGADHM CC[C@H]1CC[C@@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000536814263 566403265 /nfs/dbraw/zinc/40/32/65/566403265.db2.gz IYXYOHYTOBGDCO-NEPJUHHUSA-N -1 3 393.336 3.451 20 0 GGADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000510684196 566403701 /nfs/dbraw/zinc/40/37/01/566403701.db2.gz RTOQCAHJZUJKJF-ZTFGCOKTSA-N -1 3 380.897 3.365 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000510686350 566404194 /nfs/dbraw/zinc/40/41/94/566404194.db2.gz WCNBCHDDRINGJB-UXLLHSPISA-N -1 3 381.519 3.386 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@@H]1CCCCO1 ZINC000671180960 566406013 /nfs/dbraw/zinc/40/60/13/566406013.db2.gz CAFDTDLNXXBGCN-KOLCDFICSA-N -1 3 382.707 3.338 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000557658675 566406362 /nfs/dbraw/zinc/40/63/62/566406362.db2.gz GGPBGTSFKSDVBT-CYBMUJFWSA-N -1 3 385.835 3.434 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](c2cncc(Br)c2)C2CC2)c[nH]1 ZINC000671186748 566406685 /nfs/dbraw/zinc/40/66/85/566406685.db2.gz LLHXIJWKPWDBST-CQSZACIVSA-N -1 3 399.314 3.120 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](c2cncc(Br)c2)C2CC2)c[nH]1 ZINC000671186747 566406942 /nfs/dbraw/zinc/40/69/42/566406942.db2.gz LLHXIJWKPWDBST-AWEZNQCLSA-N -1 3 399.314 3.120 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000671186673 566407166 /nfs/dbraw/zinc/40/71/66/566407166.db2.gz NEQJQDIXRWDPDT-HNNXBMFYSA-N -1 3 399.314 3.051 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000510719286 566407450 /nfs/dbraw/zinc/40/74/50/566407450.db2.gz JJNPFJNHHVZOOX-RYUDHWBXSA-N -1 3 392.974 3.401 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)s1 ZINC000510723380 566407515 /nfs/dbraw/zinc/40/75/15/566407515.db2.gz ZZLHAMGJMHUEHV-XHSDSOJGSA-N -1 3 380.535 3.335 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc2c1OCC2 ZINC000557684312 566408168 /nfs/dbraw/zinc/40/81/68/566408168.db2.gz JLVOBJCBRCCYDA-UHFFFAOYSA-N -1 3 381.837 3.237 20 0 GGADHM CC(C)c1ccc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000510746158 566410584 /nfs/dbraw/zinc/41/05/84/566410584.db2.gz BWOCPRRMKYXESI-UHFFFAOYSA-N -1 3 386.926 3.120 20 0 GGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000577169207 566410658 /nfs/dbraw/zinc/41/06/58/566410658.db2.gz DHSORPWTLNJGRM-CYBMUJFWSA-N -1 3 391.823 3.262 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000536904582 566410590 /nfs/dbraw/zinc/41/05/90/566410590.db2.gz JQKOFFUINUNJAE-AWEZNQCLSA-N -1 3 381.322 3.048 20 0 GGADHM CC(C)=CCCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000484010139 566411586 /nfs/dbraw/zinc/41/15/86/566411586.db2.gz HGTJBMGXWCKEAW-UHFFFAOYSA-N -1 3 379.404 3.005 20 0 GGADHM CS[C@H](C)CCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000536911812 566412481 /nfs/dbraw/zinc/41/24/81/566412481.db2.gz UZHHBRJOAMXCQP-LLVKDONJSA-N -1 3 376.519 3.373 20 0 GGADHM COc1ccc(CNc2nc3cc(F)ccc3n2C)c(Br)c1[O-] ZINC000463501841 566413449 /nfs/dbraw/zinc/41/34/49/566413449.db2.gz PBUBUMUBDLDCEM-UHFFFAOYSA-N -1 3 380.217 3.223 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ccccc2SCCC(N)=O)s1 ZINC000463492322 566413477 /nfs/dbraw/zinc/41/34/77/566413477.db2.gz QTTWYMQCDMUPKN-NSHDSACASA-N -1 3 379.507 3.460 20 0 GGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ccccc2SCCC(N)=O)s1 ZINC000463492320 566414010 /nfs/dbraw/zinc/41/40/10/566414010.db2.gz QTTWYMQCDMUPKN-LLVKDONJSA-N -1 3 379.507 3.460 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc2c(Cl)ccnc21 ZINC000650012726 566414007 /nfs/dbraw/zinc/41/40/07/566414007.db2.gz ISGHUNNXAUZZBT-OTYXRUKQSA-N -1 3 394.802 3.012 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc2c(Cl)ccnc21 ZINC000650012725 566414081 /nfs/dbraw/zinc/41/40/81/566414081.db2.gz ISGHUNNXAUZZBT-LKFCYVNXSA-N -1 3 394.802 3.012 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccncc1Cl ZINC000421857237 566413998 /nfs/dbraw/zinc/41/39/98/566413998.db2.gz PRAAAXLTVRWAMI-SNVBAGLBSA-N -1 3 392.283 3.157 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000510817696 566415005 /nfs/dbraw/zinc/41/50/05/566415005.db2.gz YMMASUDOIMRVGY-NHYWBVRUSA-N -1 3 383.539 3.322 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000510817692 566415385 /nfs/dbraw/zinc/41/53/85/566415385.db2.gz YMMASUDOIMRVGY-ABAIWWIYSA-N -1 3 383.539 3.322 20 0 GGADHM O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc([O-])ccc1Cl ZINC000510857124 566416724 /nfs/dbraw/zinc/41/67/24/566416724.db2.gz OGIJFEJHXRVNKS-ZDUSSCGKSA-N -1 3 375.730 3.408 20 0 GGADHM COc1ncnc(OC)c1C(=O)[N-]c1nc2c(cccc2Br)s1 ZINC000557773265 566416741 /nfs/dbraw/zinc/41/67/41/566416741.db2.gz DKNSUXPNGFRETR-UHFFFAOYSA-N -1 3 395.238 3.118 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)s1 ZINC000650034320 566417397 /nfs/dbraw/zinc/41/73/97/566417397.db2.gz YMIKMBAHQBMFEA-YPMHNXCESA-N -1 3 396.559 3.113 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(C)c2)s1 ZINC000650057052 566418172 /nfs/dbraw/zinc/41/81/72/566418172.db2.gz JGPUKSAQHDJSDZ-VXGBXAGGSA-N -1 3 384.498 3.432 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Br)[n-]c(=O)n1 ZINC000421929024 566418274 /nfs/dbraw/zinc/41/82/74/566418274.db2.gz YNHQSUOEHPDGQT-ZDUSSCGKSA-N -1 3 376.254 3.100 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@]1(C)CCCc2ccccc21 ZINC000537021000 566418341 /nfs/dbraw/zinc/41/83/41/566418341.db2.gz YEUPTBINVNXMNK-GOSISDBHSA-N -1 3 379.503 3.107 20 0 GGADHM CSC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000601697295 566418944 /nfs/dbraw/zinc/41/89/44/566418944.db2.gz WOCGVNKQPVDCQC-UHFFFAOYSA-N -1 3 381.295 3.258 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000577257211 566419753 /nfs/dbraw/zinc/41/97/53/566419753.db2.gz SEAFGLATMYHGDP-ZDUSSCGKSA-N -1 3 376.261 3.014 20 0 GGADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1ccc(OC)nn1 ZINC000601706719 566419925 /nfs/dbraw/zinc/41/99/25/566419925.db2.gz SQEJVGAIUXSSSH-UHFFFAOYSA-N -1 3 381.841 3.046 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)[nH]2)c1Cl ZINC000650080759 566420167 /nfs/dbraw/zinc/42/01/67/566420167.db2.gz XEUSJYNCIXZTKJ-UHFFFAOYSA-N -1 3 377.297 3.330 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CN1C1CC1 ZINC000447646981 566421325 /nfs/dbraw/zinc/42/13/25/566421325.db2.gz WYDWWJWJXFXIQT-GXSJLCMTSA-N -1 3 382.835 3.262 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)cc(F)c1 ZINC000510929926 566421452 /nfs/dbraw/zinc/42/14/52/566421452.db2.gz PMIKHZXGYWKHJX-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)C(C)C ZINC000601744543 566421705 /nfs/dbraw/zinc/42/17/05/566421705.db2.gz DDARAHPULIYHBS-SFHVURJKSA-N -1 3 380.535 3.238 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000557812024 566421923 /nfs/dbraw/zinc/42/19/23/566421923.db2.gz KVVCXAZARLBFOO-HNNXBMFYSA-N -1 3 383.470 3.060 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCOCC1 ZINC000557816888 566421979 /nfs/dbraw/zinc/42/19/79/566421979.db2.gz OPHMDIPXYWUEOD-GFCCVEGCSA-N -1 3 385.379 3.208 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)C ZINC000557818397 566422049 /nfs/dbraw/zinc/42/20/49/566422049.db2.gz VVCSEDLKEAJFMK-GFCCVEGCSA-N -1 3 387.395 3.454 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(C)(C)c1ccccc1 ZINC000557823666 566422848 /nfs/dbraw/zinc/42/28/48/566422848.db2.gz JXXDCMJSIXIFKM-CQSZACIVSA-N -1 3 381.523 3.136 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000557821910 566423130 /nfs/dbraw/zinc/42/31/30/566423130.db2.gz ZGQSAKHDDNKFIE-ZDUSSCGKSA-N -1 3 387.914 3.055 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000557821909 566423228 /nfs/dbraw/zinc/42/32/28/566423228.db2.gz ZGQSAKHDDNKFIE-CYBMUJFWSA-N -1 3 387.914 3.055 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000650119858 566424437 /nfs/dbraw/zinc/42/44/37/566424437.db2.gz PLCASTNBMGJZTC-HTQZYQBOSA-N -1 3 393.715 3.207 20 0 GGADHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000511003394 566428006 /nfs/dbraw/zinc/42/80/06/566428006.db2.gz OXNBOTIPHKVTNQ-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1ccc(Br)c(Cl)c1 ZINC000537178339 566428238 /nfs/dbraw/zinc/42/82/38/566428238.db2.gz BURPWJMMAOIWJC-UHFFFAOYSA-N -1 3 392.706 3.058 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000537181506 566428378 /nfs/dbraw/zinc/42/83/78/566428378.db2.gz BMIMRVYYXYBHIF-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)cc1F ZINC000447781676 566428903 /nfs/dbraw/zinc/42/89/03/566428903.db2.gz CUANMYZMFGBEBA-UHFFFAOYSA-N -1 3 393.795 3.445 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000557863310 566429525 /nfs/dbraw/zinc/42/95/25/566429525.db2.gz AXFNGLOROHRAPP-LBPRGKRZSA-N -1 3 383.491 3.361 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1cc(F)ccc1Cl ZINC000557862806 566429678 /nfs/dbraw/zinc/42/96/78/566429678.db2.gz FPBDLUNIOZHSQC-JTQLQIEISA-N -1 3 378.252 3.187 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1ccc(F)cc1Cl ZINC000557864003 566429710 /nfs/dbraw/zinc/42/97/10/566429710.db2.gz OXYFKEOYGAVVQB-JTQLQIEISA-N -1 3 378.252 3.187 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1c(F)cncc1F ZINC000511025782 566429906 /nfs/dbraw/zinc/42/99/06/566429906.db2.gz FNSUMKPPJDUZHH-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000650161025 566430056 /nfs/dbraw/zinc/43/00/56/566430056.db2.gz QSEPSMVYYQHZPY-UHFFFAOYSA-N -1 3 384.860 3.425 20 0 GGADHM COC(=O)[C@@H](CNC(=O)c1scc(C)c1Cl)Cc1ccc([O-])c(F)c1 ZINC000422046849 566430181 /nfs/dbraw/zinc/43/01/81/566430181.db2.gz UEUHJROPHJDZHN-LLVKDONJSA-N -1 3 385.844 3.316 20 0 GGADHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000511028370 566430147 /nfs/dbraw/zinc/43/01/47/566430147.db2.gz IZEZUSMHGMXIQJ-ZDUSSCGKSA-N -1 3 385.580 3.333 20 0 GGADHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000511027041 566430193 /nfs/dbraw/zinc/43/01/93/566430193.db2.gz HDRDFOZALDFOER-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1nccc(C(F)F)n1 ZINC000557861500 566430336 /nfs/dbraw/zinc/43/03/36/566430336.db2.gz NIRJYQOLBHNEBW-UHFFFAOYSA-N -1 3 382.219 3.341 20 0 GGADHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000537234147 566434092 /nfs/dbraw/zinc/43/40/92/566434092.db2.gz AQMLJKNBNZAROR-JVZDSHEPSA-N -1 3 393.281 3.080 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000577426000 566434239 /nfs/dbraw/zinc/43/42/39/566434239.db2.gz OFAWYALTUGYWST-NSHDSACASA-N -1 3 389.857 3.293 20 0 GGADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cscc3Cl)ccc2O1 ZINC000601969252 566434804 /nfs/dbraw/zinc/43/48/04/566434804.db2.gz RPKMYIPBYCXMRB-CQSZACIVSA-N -1 3 387.866 3.069 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000671669440 566436924 /nfs/dbraw/zinc/43/69/24/566436924.db2.gz LGOGCUDXUQWUET-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000671674973 566437494 /nfs/dbraw/zinc/43/74/94/566437494.db2.gz MKQHUQDOFZDMPG-GFCCVEGCSA-N -1 3 382.835 3.121 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2cccc3c2OCCC3)c(Cl)c(OC)c1 ZINC000650206162 566438092 /nfs/dbraw/zinc/43/80/92/566438092.db2.gz MNOLLKLCKGDUOG-UHFFFAOYSA-N -1 3 383.853 3.483 20 0 GGADHM COc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc(Cl)c1OC ZINC000650217722 566439393 /nfs/dbraw/zinc/43/93/93/566439393.db2.gz SYGXNNDKPZKGOU-UHFFFAOYSA-N -1 3 389.832 3.317 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000671697471 566441573 /nfs/dbraw/zinc/44/15/73/566441573.db2.gz ORYYYWSDYZAUMF-ZDUSSCGKSA-N -1 3 392.308 3.242 20 0 GGADHM O=S(=O)([N-]C1(CF)CCC1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000577509334 566441561 /nfs/dbraw/zinc/44/15/61/566441561.db2.gz WANRZBKKFDVZFD-CQSZACIVSA-N -1 3 391.892 3.458 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1nccs1 ZINC000447873899 566442152 /nfs/dbraw/zinc/44/21/52/566442152.db2.gz JJEKCZNJIHDCKN-CQSZACIVSA-N -1 3 380.413 3.487 20 0 GGADHM COCc1nc([N-]C(=O)c2cc(-c3cccs3)on2)sc1C(=O)OC ZINC000511168286 566442197 /nfs/dbraw/zinc/44/21/97/566442197.db2.gz CXIQBCLDGGNYAZ-UHFFFAOYSA-N -1 3 379.419 3.045 20 0 GGADHM CC(C)(C)Cc1csc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)n1 ZINC000537381789 566442507 /nfs/dbraw/zinc/44/25/07/566442507.db2.gz ONDCYPIHIXIKTC-UHFFFAOYSA-N -1 3 387.552 3.100 20 0 GGADHM CCO[C@H](C)c1ncc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000464018957 566442993 /nfs/dbraw/zinc/44/29/93/566442993.db2.gz BTIWVYZNTNHDSY-LLVKDONJSA-N -1 3 383.495 3.173 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2F)c[nH]1 ZINC000671705800 566443035 /nfs/dbraw/zinc/44/30/35/566443035.db2.gz DTGBEBZUWGQLMQ-VIFPVBQESA-N -1 3 390.278 3.474 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)s1 ZINC000511200174 566443322 /nfs/dbraw/zinc/44/33/22/566443322.db2.gz AMSVBAQCHFPNNQ-NSHDSACASA-N -1 3 382.345 3.039 20 0 GGADHM CCOC(=O)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000577549478 566443643 /nfs/dbraw/zinc/44/36/43/566443643.db2.gz MOPVCYQIRMVUDH-UHFFFAOYSA-N -1 3 378.222 3.261 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)cc1Cl ZINC000511223708 566446797 /nfs/dbraw/zinc/44/67/97/566446797.db2.gz RULWZYGEARJNCS-LLVKDONJSA-N -1 3 382.309 3.222 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)cc1Cl ZINC000511223713 566446976 /nfs/dbraw/zinc/44/69/76/566446976.db2.gz RULWZYGEARJNCS-NSHDSACASA-N -1 3 382.309 3.222 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000558084493 566449342 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GGADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000537742825 566467492 /nfs/dbraw/zinc/46/74/92/566467492.db2.gz IJLXTGMOCMVJLW-ABKXIKBNSA-N -1 3 377.359 3.298 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)cs1 ZINC000511495967 566468284 /nfs/dbraw/zinc/46/82/84/566468284.db2.gz BQAZOFCBGPCGAS-ZDUSSCGKSA-N -1 3 381.299 3.035 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C(F)(F)F ZINC000577848336 566469267 /nfs/dbraw/zinc/46/92/67/566469267.db2.gz PEFIDEZQNRZLQL-RXMQYKEDSA-N -1 3 378.656 3.244 20 0 GGADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000464362028 566469179 /nfs/dbraw/zinc/46/91/79/566469179.db2.gz GLLZARQPESFTBA-SSDOTTSWSA-N -1 3 393.305 3.111 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1nc2c(s1)CCC2 ZINC000577840673 566469434 /nfs/dbraw/zinc/46/94/34/566469434.db2.gz BPASFZMBKOJIIR-MRVPVSSYSA-N -1 3 377.413 3.085 20 0 GGADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000464373995 566471220 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COCCOc1c(Cl)cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1Cl ZINC000538013828 566487139 /nfs/dbraw/zinc/48/71/39/566487139.db2.gz JIWBBOQATNNKHV-LBPRGKRZSA-N -1 3 398.308 3.329 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000672393368 566487493 /nfs/dbraw/zinc/48/74/93/566487493.db2.gz NHDILNNWEZKNCX-UHFFFAOYSA-N -1 3 385.379 3.086 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000672429630 566489897 /nfs/dbraw/zinc/48/98/97/566489897.db2.gz WXIBPTBNEXBXCM-LBPRGKRZSA-N -1 3 393.814 3.413 20 0 GGADHM COc1ccc(CNCc2cn3cc(C)ccc3n2)c(Br)c1[O-] ZINC000558588436 566490205 /nfs/dbraw/zinc/49/02/05/566490205.db2.gz BLLXEYVVYFRADK-UHFFFAOYSA-N -1 3 376.254 3.409 20 0 GGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000511832337 566490924 /nfs/dbraw/zinc/49/09/24/566490924.db2.gz PKOZIIZMMWQNIL-NWDGAFQWSA-N -1 3 378.947 3.012 20 0 GGADHM CC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511846167 566491237 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COc1ccc(Br)c(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000558620409 566493540 /nfs/dbraw/zinc/49/35/40/566493540.db2.gz UNKLKVYHQRXQMN-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM CCN1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000538133647 566495154 /nfs/dbraw/zinc/49/51/54/566495154.db2.gz XCEAGNGGNKPYDE-UHFFFAOYSA-N -1 3 399.969 3.340 20 0 GGADHM NC(=O)Cc1csc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)n1 ZINC000448763744 566495547 /nfs/dbraw/zinc/49/55/47/566495547.db2.gz OYTKBWKVAIWWJM-UHFFFAOYSA-N -1 3 383.445 3.204 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000464666051 566496063 /nfs/dbraw/zinc/49/60/63/566496063.db2.gz GHVUOIQTPIGULL-OAHLLOKOSA-N -1 3 384.567 3.378 20 0 GGADHM Oc1[n-]c(N2CCC[C@H]2c2ccc(Br)c(F)c2)nc2nncc1-2 ZINC000485410616 566496053 /nfs/dbraw/zinc/49/60/53/566496053.db2.gz QSOMXGMKUCDQCF-LBPRGKRZSA-N -1 3 378.205 3.302 20 0 GGADHM CCC[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511901966 566496141 /nfs/dbraw/zinc/49/61/41/566496141.db2.gz 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3.234 20 0 GGADHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1(C)C ZINC000538285092 566503283 /nfs/dbraw/zinc/50/32/83/566503283.db2.gz QUMPDAABERGZFC-INTQDDNPSA-N -1 3 382.345 3.157 20 0 GGADHM O=C(Cc1cncc([O-])c1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000578246823 566504875 /nfs/dbraw/zinc/50/48/75/566504875.db2.gz CLLGJIQCIJJFMK-QGZVFWFLSA-N -1 3 379.229 3.499 20 0 GGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000558779301 566507236 /nfs/dbraw/zinc/50/72/36/566507236.db2.gz KEDGHYXLWXHMLZ-CYBMUJFWSA-N -1 3 392.830 3.339 20 0 GGADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(CSC2CCOCC2)c1 ZINC000424063129 566508028 /nfs/dbraw/zinc/50/80/28/566508028.db2.gz MCSZARNHHFLVSN-UHFFFAOYSA-N -1 3 385.551 3.267 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CC[C@@H](CC)O2)c(F)cc1F ZINC000464914997 566509035 /nfs/dbraw/zinc/50/90/35/566509035.db2.gz HKWWDLCEGHFQCE-BMIGLBTASA-N -1 3 376.425 3.013 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000448899323 566510522 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O=C(CSCCc1nnn[n-]1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000603339476 566519327 /nfs/dbraw/zinc/51/93/27/566519327.db2.gz ODWGSRAMLACGET-CYBMUJFWSA-N -1 3 386.308 3.146 20 0 GGADHM O=C(CSCCc1nn[n-]n1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000603339476 566519334 /nfs/dbraw/zinc/51/93/34/566519334.db2.gz ODWGSRAMLACGET-CYBMUJFWSA-N -1 3 386.308 3.146 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449012353 566519506 /nfs/dbraw/zinc/51/95/06/566519506.db2.gz BNEIYCBJBVYVOF-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM C[C@@H](SCCc1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000603336473 566520297 /nfs/dbraw/zinc/52/02/97/566520297.db2.gz CFNFLBXLWJCCEB-SSDOTTSWSA-N -1 3 379.795 3.175 20 0 GGADHM C[C@@H](SCCc1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000603336473 566520304 /nfs/dbraw/zinc/52/03/04/566520304.db2.gz CFNFLBXLWJCCEB-SSDOTTSWSA-N -1 3 379.795 3.175 20 0 GGADHM CCOC(=O)c1csc([N-]C(=O)c2nc(C)sc2Br)n1 ZINC000485740336 566523031 /nfs/dbraw/zinc/52/30/31/566523031.db2.gz XFYMENVFTKUEBU-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM C[C@]1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCCOC1 ZINC000512286144 566523218 /nfs/dbraw/zinc/52/32/18/566523218.db2.gz BJRQJQORJOAIFN-INIZCTEOSA-N -1 3 382.233 3.155 20 0 GGADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000424261525 566523407 /nfs/dbraw/zinc/52/34/07/566523407.db2.gz PIDMVFYSFLFKLT-CQSZACIVSA-N -1 3 387.307 3.371 20 0 GGADHM O=C(COC1CCCC1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512325696 566525988 /nfs/dbraw/zinc/52/59/88/566525988.db2.gz YUTQKTLHFLLIER-UHFFFAOYSA-N -1 3 382.233 3.298 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)CC1 ZINC000603418467 566526425 /nfs/dbraw/zinc/52/64/25/566526425.db2.gz JOBICACYCLSLQP-DEOSSOPVSA-N -1 3 385.551 3.189 20 0 GGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000538668351 566526390 /nfs/dbraw/zinc/52/63/90/566526390.db2.gz QVIHXGWWQPLGMC-YGRLFVJLSA-N -1 3 379.309 3.064 20 0 GGADHM COc1ccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)cn1 ZINC000512325298 566526380 /nfs/dbraw/zinc/52/63/80/566526380.db2.gz XITYGGSMCMWTTR-UHFFFAOYSA-N -1 3 391.200 3.056 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000559106506 566526707 /nfs/dbraw/zinc/52/67/07/566526707.db2.gz UOZJXUKEVAZPTO-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000603419783 566526612 /nfs/dbraw/zinc/52/66/12/566526612.db2.gz VVLLFNKWZQZDDP-SRGWNRLKSA-N -1 3 387.567 3.433 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Cl)c1OC ZINC000559105409 566527048 /nfs/dbraw/zinc/52/70/48/566527048.db2.gz ALGJXWNKINPGTJ-UHFFFAOYSA-N -1 3 391.823 3.156 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000512357121 566527279 /nfs/dbraw/zinc/52/72/79/566527279.db2.gz SGDIYSSRODWUMH-UHFFFAOYSA-N -1 3 376.221 3.039 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000559139904 566528421 /nfs/dbraw/zinc/52/84/21/566528421.db2.gz HHMQNEGXRKCYRV-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)cc1F ZINC000559142020 566528535 /nfs/dbraw/zinc/52/85/35/566528535.db2.gz XGHWTOXSBAVJCS-UHFFFAOYSA-N -1 3 380.338 3.208 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc([C@H](C)c3nccs3)no2)cc1 ZINC000424360691 566528759 /nfs/dbraw/zinc/52/87/59/566528759.db2.gz GINAWZHCTPABCF-NSHDSACASA-N -1 3 378.479 3.497 20 0 GGADHM Cc1ccc(NCc2cc([O-])ccc2Br)cc1S(=O)(=O)N(C)C ZINC000512370178 566529677 /nfs/dbraw/zinc/52/96/77/566529677.db2.gz MIWUEIZSEJTUNS-UHFFFAOYSA-N -1 3 399.310 3.326 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000512367192 566529759 /nfs/dbraw/zinc/52/97/59/566529759.db2.gz HDZSKRNNXWCTSH-UHFFFAOYSA-N -1 3 378.435 3.300 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000628085099 566530350 /nfs/dbraw/zinc/53/03/50/566530350.db2.gz SJJIDQTXQCDNIW-MAUKXSAKSA-N -1 3 390.277 3.393 20 0 GGADHM O=S(=O)([N-]C[C@@H]1OCCc2ccccc21)c1ccc(Br)s1 ZINC000603506565 566530869 /nfs/dbraw/zinc/53/08/69/566530869.db2.gz UCOKXZWIGBNKEJ-LBPRGKRZSA-N -1 3 388.308 3.103 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000465470460 566530935 /nfs/dbraw/zinc/53/09/35/566530935.db2.gz IADUQPHZEDTBFB-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)s1 ZINC000485840841 566531279 /nfs/dbraw/zinc/53/12/79/566531279.db2.gz PNMWSCDEOSKKQS-MRVPVSSYSA-N -1 3 377.871 3.383 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000559179779 566531722 /nfs/dbraw/zinc/53/17/22/566531722.db2.gz VRRCMDMYSNINSS-XYPYZODXSA-N -1 3 385.894 3.413 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000485844224 566532394 /nfs/dbraw/zinc/53/23/94/566532394.db2.gz CIUGSRWIZCGXFQ-UHFFFAOYSA-N -1 3 379.459 3.322 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCc1cc(OC)ccc1Br ZINC000559194608 566533111 /nfs/dbraw/zinc/53/31/11/566533111.db2.gz OJASDHWFYLLFEI-UHFFFAOYSA-N -1 3 388.287 3.084 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1sc(C)nc1C ZINC000651553767 566533344 /nfs/dbraw/zinc/53/33/44/566533344.db2.gz DGBXKDAFJZNYJK-UHFFFAOYSA-N -1 3 395.369 3.413 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)N(C)C)cc1 ZINC000559201730 566533392 /nfs/dbraw/zinc/53/33/92/566533392.db2.gz CBFHPFLTACOWHT-MRXNPFEDSA-N -1 3 386.489 3.268 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000651561000 566533554 /nfs/dbraw/zinc/53/35/54/566533554.db2.gz VDDKPGLSQZPBGJ-UHFFFAOYSA-N -1 3 379.301 3.409 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1Cl ZINC000578559784 566534237 /nfs/dbraw/zinc/53/42/37/566534237.db2.gz XEYWSPUHYGRLFM-WMLDXEAASA-N -1 3 386.300 3.438 20 0 GGADHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000465497660 566534866 /nfs/dbraw/zinc/53/48/66/566534866.db2.gz USXLFIPXZURSID-ZWNOBZJWSA-N -1 3 390.299 3.093 20 0 GGADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000465497655 566534893 /nfs/dbraw/zinc/53/48/93/566534893.db2.gz USXLFIPXZURSID-GWCFXTLKSA-N -1 3 390.299 3.093 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)N(C)C2CCCCC2)c1Cl ZINC000465504844 566534989 /nfs/dbraw/zinc/53/49/89/566534989.db2.gz HWAGBPDFFNVDFI-UHFFFAOYSA-N -1 3 393.336 3.371 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000559240437 566535192 /nfs/dbraw/zinc/53/51/92/566535192.db2.gz XOINQPBPRWOZFC-LLVKDONJSA-N -1 3 377.231 3.402 20 0 GGADHM COc1ccc(-c2ccc(C[N-]S(=O)(=O)Cc3cc(C)no3)s2)cc1 ZINC000485882618 566535447 /nfs/dbraw/zinc/53/54/47/566535447.db2.gz QOCPBIDLQOYASP-UHFFFAOYSA-N -1 3 378.475 3.340 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000485879802 566535696 /nfs/dbraw/zinc/53/56/96/566535696.db2.gz BVFDZFBZXBXHNO-UHFFFAOYSA-N -1 3 382.844 3.490 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3ccc(Br)o3)n[nH]2)cc1OC ZINC000603627878 566535769 /nfs/dbraw/zinc/53/57/69/566535769.db2.gz BHZOCDXRIBGCBJ-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)n[nH]1 ZINC000485875766 566535868 /nfs/dbraw/zinc/53/58/68/566535868.db2.gz MSHVTRMKDYWXFB-UHFFFAOYSA-N -1 3 377.447 3.034 20 0 GGADHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)nc1=N ZINC000559255483 566536343 /nfs/dbraw/zinc/53/63/43/566536343.db2.gz BSHLPLYUWRQGPR-GVXVVHGQSA-N -1 3 380.279 3.002 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485903345 566536886 /nfs/dbraw/zinc/53/68/86/566536886.db2.gz ZHWLHEWNBYUMNS-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000603717751 566537488 /nfs/dbraw/zinc/53/74/88/566537488.db2.gz MJNBGHYQWLJKAH-HNNXBMFYSA-N -1 3 393.336 3.060 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cccc2c1OCCCO2)c1nc(C)cs1 ZINC000651577334 566537563 /nfs/dbraw/zinc/53/75/63/566537563.db2.gz IFLKTJWUNMAPTP-KRWDZBQOSA-N -1 3 382.507 3.217 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)s1 ZINC000651581132 566537831 /nfs/dbraw/zinc/53/78/31/566537831.db2.gz IUJVBGVBGBVQJI-UHFFFAOYSA-N -1 3 386.518 3.116 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651585915 566538452 /nfs/dbraw/zinc/53/84/52/566538452.db2.gz ICQCXFYQGFBTGA-UHFFFAOYSA-N -1 3 384.361 3.286 20 0 GGADHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000578620940 566538919 /nfs/dbraw/zinc/53/89/19/566538919.db2.gz WCYAJGOKHOUSAQ-AWEZNQCLSA-N -1 3 396.734 3.322 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1sc(Br)cc1C)C1CCOCC1 ZINC000651586853 566539291 /nfs/dbraw/zinc/53/92/91/566539291.db2.gz PCTBRGZTWYTTMY-LLVKDONJSA-N -1 3 382.345 3.303 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506544 566539609 /nfs/dbraw/zinc/53/96/09/566539609.db2.gz ULTKBDPWSHIZHR-VHSXEESVSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503349 566539671 /nfs/dbraw/zinc/53/96/71/566539671.db2.gz JFVPZTXILJGXBY-GHMZBOCLSA-N -1 3 381.885 3.214 20 0 GGADHM C[C@@H](NC(=O)c1csc(Br)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509438 566540061 /nfs/dbraw/zinc/54/00/61/566540061.db2.gz UQIFSYUYVYRLTG-DTWKUNHWSA-N -1 3 398.282 3.004 20 0 GGADHM C[C@H](NC(=O)c1csc(Br)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509439 566541019 /nfs/dbraw/zinc/54/10/19/566541019.db2.gz UQIFSYUYVYRLTG-IUCAKERBSA-N -1 3 398.282 3.004 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ccncc1C ZINC000651615157 566541759 /nfs/dbraw/zinc/54/17/59/566541759.db2.gz JPSFHFYUDCNKNC-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651612072 566541881 /nfs/dbraw/zinc/54/18/81/566541881.db2.gz ZSLWEKRUQGDNOE-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM Cc1nccn1CCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000578660726 566542662 /nfs/dbraw/zinc/54/26/62/566542662.db2.gz SPARSTWPUQCIPZ-KRWDZBQOSA-N -1 3 392.297 3.246 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cs1 ZINC000485957292 566542832 /nfs/dbraw/zinc/54/28/32/566542832.db2.gz UVVBGYOHYHXQIS-LBPRGKRZSA-N -1 3 393.408 3.159 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cs1 ZINC000485957291 566543287 /nfs/dbraw/zinc/54/32/87/566543287.db2.gz UVVBGYOHYHXQIS-GFCCVEGCSA-N -1 3 393.408 3.159 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000603889464 566543970 /nfs/dbraw/zinc/54/39/70/566543970.db2.gz UYRJKBUXRZIVPY-CYBMUJFWSA-N -1 3 375.881 3.214 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000603889609 566544647 /nfs/dbraw/zinc/54/46/47/566544647.db2.gz VPYAYGLFYAAAMC-SNVBAGLBSA-N -1 3 397.287 3.359 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485957469 566544674 /nfs/dbraw/zinc/54/46/74/566544674.db2.gz XCSDPAGWUODMPN-HZMBPMFUSA-N -1 3 398.750 3.319 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000651627427 566544843 /nfs/dbraw/zinc/54/48/43/566544843.db2.gz YMEWCUQOIGQQON-GHMZBOCLSA-N -1 3 382.345 3.301 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1COc2ccccc21 ZINC000673595100 566545402 /nfs/dbraw/zinc/54/54/02/566545402.db2.gz PTWZATYFOGCCQS-LBPRGKRZSA-N -1 3 377.238 3.130 20 0 GGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ncc(Br)cc1Br ZINC000424613004 566546389 /nfs/dbraw/zinc/54/63/89/566546389.db2.gz BAGUAVIHRXEQPM-PELKAZGASA-N -1 3 394.107 3.442 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000651643015 566546564 /nfs/dbraw/zinc/54/65/64/566546564.db2.gz OEPPGYMFQGDDLP-LLVKDONJSA-N -1 3 382.345 3.447 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)s1 ZINC000603956594 566547245 /nfs/dbraw/zinc/54/72/45/566547245.db2.gz VFQUVUGMDLLRKM-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000485996825 566547469 /nfs/dbraw/zinc/54/74/69/566547469.db2.gz BERAEOSMEHDSIO-HNNXBMFYSA-N -1 3 375.343 3.343 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccs2)s1 ZINC000603946735 566547457 /nfs/dbraw/zinc/54/74/57/566547457.db2.gz DBGLRYNTXDRKFT-NSHDSACASA-N -1 3 386.564 3.263 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)s1 ZINC000603947556 566547477 /nfs/dbraw/zinc/54/74/77/566547477.db2.gz QWXPEXSJXIFXQW-NSHDSACASA-N -1 3 378.475 3.170 20 0 GGADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)c(F)c1 ZINC000651660383 566548547 /nfs/dbraw/zinc/54/85/47/566548547.db2.gz OEXJDDYJCUJFJX-UHFFFAOYSA-N -1 3 388.814 3.032 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(F)c1 ZINC000651660543 566548709 /nfs/dbraw/zinc/54/87/09/566548709.db2.gz UUOTVXXINGNRNH-RNCFNFMXSA-N -1 3 389.798 3.241 20 0 GGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1Cl ZINC000538939401 566549461 /nfs/dbraw/zinc/54/94/61/566549461.db2.gz AUYWEMCKRDKSGE-UHFFFAOYSA-N -1 3 380.853 3.424 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000651671201 566549773 /nfs/dbraw/zinc/54/97/73/566549773.db2.gz JWISWHIJXBFGAX-RHSMWYFYSA-N -1 3 387.835 3.063 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C(C)C ZINC000486024693 566550163 /nfs/dbraw/zinc/55/01/63/566550163.db2.gz HZZFUFDGCUGZOV-CYBMUJFWSA-N -1 3 384.723 3.193 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2ncccc2Cl)c(F)cc1F ZINC000559447857 566550196 /nfs/dbraw/zinc/55/01/96/566550196.db2.gz CPMCICSLQUPMAV-UHFFFAOYSA-N -1 3 389.811 3.417 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000651671203 566550234 /nfs/dbraw/zinc/55/02/34/566550234.db2.gz JWISWHIJXBFGAX-YOEHRIQHSA-N -1 3 387.835 3.063 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000604025426 566550958 /nfs/dbraw/zinc/55/09/58/566550958.db2.gz HWHJLZPQHWSOIP-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1cc(Cl)ccc1Cl ZINC000512708974 566551706 /nfs/dbraw/zinc/55/17/06/566551706.db2.gz XBNOYNZYVXXRIK-UHFFFAOYSA-N -1 3 391.345 3.392 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1cccc(C)n1 ZINC000651680979 566551898 /nfs/dbraw/zinc/55/18/98/566551898.db2.gz ZNEQCNLXWIXVEB-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1Cl ZINC000604059741 566551877 /nfs/dbraw/zinc/55/18/77/566551877.db2.gz GMPOQUPYFAXFDQ-NEPJUHHUSA-N -1 3 393.336 3.227 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Br)cc3c2OCC3)n1 ZINC000628374866 566552361 /nfs/dbraw/zinc/55/23/61/566552361.db2.gz IQFQCIGOMCOPPH-UHFFFAOYSA-N -1 3 378.270 3.213 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000604058784 566552703 /nfs/dbraw/zinc/55/27/03/566552703.db2.gz RCFYVRXOGBLTIO-INIZCTEOSA-N -1 3 382.888 3.422 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000651707177 566552866 /nfs/dbraw/zinc/55/28/66/566552866.db2.gz BJAAWISLQMLFOH-UHFFFAOYSA-N -1 3 391.312 3.164 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000578808779 566555278 /nfs/dbraw/zinc/55/52/78/566555278.db2.gz URIGRNJTUORCOI-UHFFFAOYSA-N -1 3 377.853 3.473 20 0 GGADHM O=S(=O)(Cc1ccc(Br)c(Cl)c1)c1nc2c([n-]1)CCC2 ZINC000578833503 566557755 /nfs/dbraw/zinc/55/77/55/566557755.db2.gz MEQYJKBZDBMKFU-UHFFFAOYSA-N -1 3 375.675 3.288 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H]3CCCCC(F)(F)C3)cnc2c1Cl ZINC000578826112 566558018 /nfs/dbraw/zinc/55/80/18/566558018.db2.gz ZYUJJAMBKNAIKD-NSHDSACASA-N -1 3 392.859 3.185 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cs1 ZINC000673824279 566558337 /nfs/dbraw/zinc/55/83/37/566558337.db2.gz YXWYVJILNLEZAI-UHFFFAOYSA-N -1 3 399.847 3.360 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cs1 ZINC000673823619 566558377 /nfs/dbraw/zinc/55/83/77/566558377.db2.gz JAVDHMMZVZKDJT-UHFFFAOYSA-N -1 3 380.322 3.136 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)c[nH]1 ZINC000673820896 566558426 /nfs/dbraw/zinc/55/84/26/566558426.db2.gz LKTLDTVPLFKQFR-ZDUSSCGKSA-N -1 3 384.299 3.261 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2csc(N(C)C)n2)cc1Cl ZINC000673823783 566558505 /nfs/dbraw/zinc/55/85/05/566558505.db2.gz LSCLHWFYTGUVIW-UHFFFAOYSA-N -1 3 396.321 3.003 20 0 GGADHM NC(=O)c1cccc(CN(Cc2cc([O-])ccc2Br)C2CC2)c1 ZINC000449407670 566558808 /nfs/dbraw/zinc/55/88/08/566558808.db2.gz FJZBGUBANMMUSG-UHFFFAOYSA-N -1 3 375.266 3.418 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cs1 ZINC000673824050 566559032 /nfs/dbraw/zinc/55/90/32/566559032.db2.gz RSYQHFOAJHQBDW-UHFFFAOYSA-N -1 3 399.847 3.360 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)c[nH]1 ZINC000673823034 566559132 /nfs/dbraw/zinc/55/91/32/566559132.db2.gz SQKHIJVYDBDXOF-UHFFFAOYSA-N -1 3 384.299 3.263 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000673821841 566559288 /nfs/dbraw/zinc/55/92/88/566559288.db2.gz BHFQZDNZNIHTLX-LLVKDONJSA-N -1 3 375.416 3.461 20 0 GGADHM O=C([N-]c1ccncc1Br)c1cc(COc2ccccc2F)on1 ZINC000466234908 566559924 /nfs/dbraw/zinc/55/99/24/566559924.db2.gz KTKMBBZFFLCEPT-UHFFFAOYSA-N -1 3 392.184 3.224 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000673824693 566559945 /nfs/dbraw/zinc/55/99/45/566559945.db2.gz KMOVJJDLNOIWOQ-QMMMGPOBSA-N -1 3 382.433 3.438 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)s1 ZINC000673824870 566560803 /nfs/dbraw/zinc/56/08/03/566560803.db2.gz GBXKGTAPHQTVFR-BFHYXJOUSA-N -1 3 380.535 3.416 20 0 GGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(F)ccc3Br)ccc2[nH]1 ZINC000466272037 566561242 /nfs/dbraw/zinc/56/12/42/566561242.db2.gz OUKYCRFWGQIYMU-UHFFFAOYSA-N -1 3 397.225 3.231 20 0 GGADHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000539118013 566561418 /nfs/dbraw/zinc/56/14/18/566561418.db2.gz SKTPOFRQEZLZTH-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000539118622 566561670 /nfs/dbraw/zinc/56/16/70/566561670.db2.gz SXSCYMWQNTXDPM-OAHLLOKOSA-N -1 3 391.823 3.293 20 0 GGADHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(I)c1OC ZINC000486144580 566561981 /nfs/dbraw/zinc/56/19/81/566561981.db2.gz GLMQWDDRRYNXBZ-PLNGDYQASA-N -1 3 398.200 3.283 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000466293120 566563208 /nfs/dbraw/zinc/56/32/08/566563208.db2.gz KFWUBSKYUYOBCL-ZDUSSCGKSA-N -1 3 397.324 3.295 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000673884858 566563996 /nfs/dbraw/zinc/56/39/96/566563996.db2.gz BJBBSZZYCZHYGS-UHFFFAOYSA-N -1 3 388.823 3.098 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C)s1 ZINC000651806423 566564008 /nfs/dbraw/zinc/56/40/08/566564008.db2.gz GUKUQTKDRVYKKQ-UHOFOFEASA-N -1 3 378.519 3.088 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)[C@@H]([N-]S(C)(=O)=O)[C@@H](C)CC)cc1Cl ZINC000466294372 566564884 /nfs/dbraw/zinc/56/48/84/566564884.db2.gz YELLOHFDXLPNHU-ZANVPECISA-N -1 3 397.324 3.295 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1c(F)cccc1F ZINC000604407554 566564994 /nfs/dbraw/zinc/56/49/94/566564994.db2.gz NADZZJCWOVMTOL-CQSZACIVSA-N -1 3 392.830 3.339 20 0 GGADHM COC[C@@H](C)CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000578920191 566565474 /nfs/dbraw/zinc/56/54/74/566565474.db2.gz ZYOFUDSVCKGLET-GFCCVEGCSA-N -1 3 380.491 3.258 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)(C)C ZINC000651806693 566565760 /nfs/dbraw/zinc/56/57/60/566565760.db2.gz WERYABHKAWHKFT-WCQYABFASA-N -1 3 388.917 3.410 20 0 GGADHM O=S(=O)([N-]CCNCc1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000512874463 566565752 /nfs/dbraw/zinc/56/57/52/566565752.db2.gz OMKMUNWHZJHFSC-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000578933805 566565694 /nfs/dbraw/zinc/56/56/94/566565694.db2.gz OVABQGNMFKSMKG-INIZCTEOSA-N -1 3 386.901 3.308 20 0 GGADHM CC[C@H]1CC[C@@H](C)N1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000578926854 566565944 /nfs/dbraw/zinc/56/59/44/566565944.db2.gz KVAZUDQTVKPYBA-MNOVXSKESA-N -1 3 379.309 3.061 20 0 GGADHM COc1ccc(CNC(C)(C)c2nnc3n2CCCC3)c(Br)c1[O-] ZINC000449460845 566566095 /nfs/dbraw/zinc/56/60/95/566566095.db2.gz NRWHVEBMAHAYQA-UHFFFAOYSA-N -1 3 395.301 3.116 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(F)ccc1F)c1cccc(Cl)c1Cl ZINC000512874368 566566139 /nfs/dbraw/zinc/56/61/39/566566139.db2.gz NDQNNUTXZXJTNO-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM CC[C@@H]1CC[C@H](C)N1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000578926856 566566091 /nfs/dbraw/zinc/56/60/91/566566091.db2.gz KVAZUDQTVKPYBA-WDEREUQCSA-N -1 3 379.309 3.061 20 0 GGADHM CCc1nc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000512883879 566566305 /nfs/dbraw/zinc/56/63/05/566566305.db2.gz ACHOQBWFAPGJPB-UHFFFAOYSA-N -1 3 394.349 3.080 20 0 GGADHM COc1ccc(Br)c([C@H](CO)N(C)Cc2cc([O-])cc(F)c2)c1 ZINC000449472724 566567980 /nfs/dbraw/zinc/56/79/80/566567980.db2.gz QEUGEDHDYYPUHP-KRWDZBQOSA-N -1 3 384.245 3.468 20 0 GGADHM O=S(=O)([N-]CCNCc1ccccc1F)c1cccc(Cl)c1Cl ZINC000512909229 566568132 /nfs/dbraw/zinc/56/81/32/566568132.db2.gz VDCKYQZACXBXOM-UHFFFAOYSA-N -1 3 377.268 3.201 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000604511635 566569226 /nfs/dbraw/zinc/56/92/26/566569226.db2.gz UNWCIVJRKCCVCT-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C3CCC3)CC2)s1 ZINC000651871150 566570190 /nfs/dbraw/zinc/57/01/90/566570190.db2.gz BCHYCMVJWKWGJN-UHFFFAOYSA-N -1 3 384.567 3.064 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cn1)C1CC1 ZINC000578978682 566570584 /nfs/dbraw/zinc/57/05/84/566570584.db2.gz BPYLSQZXBDTSJG-UHFFFAOYSA-N -1 3 379.869 3.068 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)c1Br ZINC000559805745 566570582 /nfs/dbraw/zinc/57/05/82/566570582.db2.gz TWMDKGVKCMHVDT-CQSZACIVSA-N -1 3 384.295 3.078 20 0 GGADHM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000673982809 566570786 /nfs/dbraw/zinc/57/07/86/566570786.db2.gz POALJLXXSZQRMT-UHFFFAOYSA-N -1 3 375.837 3.096 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000486242380 566571300 /nfs/dbraw/zinc/57/13/00/566571300.db2.gz NXRBKSAQPCMGIR-UHFFFAOYSA-N -1 3 382.894 3.479 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)N1CCc2ccccc21 ZINC000486245994 566571338 /nfs/dbraw/zinc/57/13/38/566571338.db2.gz SXZIQOKKFPVXPB-CYBMUJFWSA-N -1 3 380.897 3.078 20 0 GGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486248933 566571490 /nfs/dbraw/zinc/57/14/90/566571490.db2.gz GKSJCBQZMLXIJB-UHFFFAOYSA-N -1 3 384.885 3.401 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1-n1ccnc1 ZINC000486246652 566571562 /nfs/dbraw/zinc/57/15/62/566571562.db2.gz WWYLHUIFUDZROC-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000651886702 566573208 /nfs/dbraw/zinc/57/32/08/566573208.db2.gz BZOJTPXWSQCEMI-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(-n2ccnc2)c1 ZINC000486253088 566573370 /nfs/dbraw/zinc/57/33/70/566573370.db2.gz LUNLPCDSEVZPGF-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000579038711 566575376 /nfs/dbraw/zinc/57/53/76/566575376.db2.gz RFURPGSNIBGQFV-UHFFFAOYSA-N -1 3 382.295 3.319 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCOCC1 ZINC000579050652 566575652 /nfs/dbraw/zinc/57/56/52/566575652.db2.gz GHLBAVDEAVUBKC-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM Cn1ncc2c1nc(CN1CCSC[C@H]1c1ccc(Cl)cc1)[n-]c2=O ZINC000604761323 566575761 /nfs/dbraw/zinc/57/57/61/566575761.db2.gz DQMUMSVBNWLRJW-AWEZNQCLSA-N -1 3 375.885 3.012 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2CC3(CCC3)C2)s1 ZINC000651919824 566576097 /nfs/dbraw/zinc/57/60/97/566576097.db2.gz LIFMWXUWFMTIKV-UHFFFAOYSA-N -1 3 384.567 3.064 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000604768593 566576241 /nfs/dbraw/zinc/57/62/41/566576241.db2.gz TYHZBVCYROYURO-SMDDNHRTSA-N -1 3 393.336 3.355 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000651919728 566576651 /nfs/dbraw/zinc/57/66/51/566576651.db2.gz HSBCIWMCXKEKEP-UHFFFAOYSA-N -1 3 378.263 3.208 20 0 GGADHM CC(C)(C)[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000604750190 566576388 /nfs/dbraw/zinc/57/63/88/566576388.db2.gz UFIDSXYPEGWREH-GFCCVEGCSA-N -1 3 392.974 3.355 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000604768591 566576524 /nfs/dbraw/zinc/57/65/24/566576524.db2.gz TYHZBVCYROYURO-FZMZJTMJSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000604768580 566576550 /nfs/dbraw/zinc/57/65/50/566576550.db2.gz TYHZBVCYROYURO-BXUZGUMPSA-N -1 3 393.336 3.355 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000604756286 566576562 /nfs/dbraw/zinc/57/65/62/566576562.db2.gz UXOLFAFFPIBLRX-MRXNPFEDSA-N -1 3 380.897 3.463 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)s1 ZINC000604770321 566576581 /nfs/dbraw/zinc/57/65/81/566576581.db2.gz SXDDHEMROIYXSC-NSHDSACASA-N -1 3 399.563 3.150 20 0 GGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000513082231 566578108 /nfs/dbraw/zinc/57/81/08/566578108.db2.gz VWEJENRWXQNDIN-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2([C@H](O)C(C)C)CC2)cc1Cl ZINC000539385054 566578657 /nfs/dbraw/zinc/57/86/57/566578657.db2.gz IFFGBSOTRBWAAM-CQSZACIVSA-N -1 3 382.309 3.077 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000513098815 566579771 /nfs/dbraw/zinc/57/97/71/566579771.db2.gz MDDCSOHOAXBXOT-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM COc1ccc(CNCc2ccc(C[S@](C)=O)cc2)c(Br)c1[O-] ZINC000513100031 566580156 /nfs/dbraw/zinc/58/01/56/566580156.db2.gz FOFFFDHWBVUDIA-QHCPKHFHSA-N -1 3 398.322 3.332 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(CCc4cccnc4)n3)[n-]2)c1 ZINC000559987644 566581149 /nfs/dbraw/zinc/58/11/49/566581149.db2.gz PYDQNXHGSKFQKC-UHFFFAOYSA-N -1 3 397.236 3.464 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(CCc4cccnc4)n3)n2)c1 ZINC000559987644 566581155 /nfs/dbraw/zinc/58/11/55/566581155.db2.gz PYDQNXHGSKFQKC-UHFFFAOYSA-N -1 3 397.236 3.464 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(CCc4cccnc4)n3)n[n-]2)c1 ZINC000559987644 566581162 /nfs/dbraw/zinc/58/11/62/566581162.db2.gz PYDQNXHGSKFQKC-UHFFFAOYSA-N -1 3 397.236 3.464 20 0 GGADHM Cc1cc(Br)cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000486370957 566581246 /nfs/dbraw/zinc/58/12/46/566581246.db2.gz UTQFGEDRFOLBSS-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000539440196 566581244 /nfs/dbraw/zinc/58/12/44/566581244.db2.gz YOQKULPUYMRJKL-CQSZACIVSA-N -1 3 396.228 3.003 20 0 GGADHM Cc1cc(Br)cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000486370957 566581254 /nfs/dbraw/zinc/58/12/54/566581254.db2.gz UTQFGEDRFOLBSS-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cc(Br)cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000486370957 566581262 /nfs/dbraw/zinc/58/12/62/566581262.db2.gz UTQFGEDRFOLBSS-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1ccc(F)c(C)c1 ZINC000466522073 566581756 /nfs/dbraw/zinc/58/17/56/566581756.db2.gz IXSOPSYEQHDPRR-MRXNPFEDSA-N -1 3 383.466 3.049 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000513120597 566581913 /nfs/dbraw/zinc/58/19/13/566581913.db2.gz QJSDQMAOUKZOTN-UHFFFAOYSA-N -1 3 379.865 3.484 20 0 GGADHM C[C@H]1OCC[C@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000559987954 566582105 /nfs/dbraw/zinc/58/21/05/566582105.db2.gz RIZJVEHDMXAGSU-LDYMZIIASA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1OCC[C@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000559987954 566582111 /nfs/dbraw/zinc/58/21/11/566582111.db2.gz RIZJVEHDMXAGSU-LDYMZIIASA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1OCC[C@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000559987954 566582117 /nfs/dbraw/zinc/58/21/17/566582117.db2.gz RIZJVEHDMXAGSU-LDYMZIIASA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H](c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1)n1cccn1 ZINC000559987389 566582144 /nfs/dbraw/zinc/58/21/44/566582144.db2.gz NCYKLXRYXMHTJJ-VIFPVBQESA-N -1 3 386.213 3.090 20 0 GGADHM C[C@@H](c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1)n1cccn1 ZINC000559987389 566582153 /nfs/dbraw/zinc/58/21/53/566582153.db2.gz NCYKLXRYXMHTJJ-VIFPVBQESA-N -1 3 386.213 3.090 20 0 GGADHM C[C@@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)n1cccn1 ZINC000559987389 566582159 /nfs/dbraw/zinc/58/21/59/566582159.db2.gz NCYKLXRYXMHTJJ-VIFPVBQESA-N -1 3 386.213 3.090 20 0 GGADHM C[C@H]1OCC[C@@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000559987950 566582438 /nfs/dbraw/zinc/58/24/38/566582438.db2.gz RIZJVEHDMXAGSU-KCJUWKMLSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1OCC[C@@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000559987950 566582440 /nfs/dbraw/zinc/58/24/40/566582440.db2.gz RIZJVEHDMXAGSU-KCJUWKMLSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1OCC[C@@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000559987950 566582442 /nfs/dbraw/zinc/58/24/42/566582442.db2.gz RIZJVEHDMXAGSU-KCJUWKMLSA-N -1 3 376.214 3.177 20 0 GGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513142565 566582545 /nfs/dbraw/zinc/58/25/45/566582545.db2.gz DWCOFECEZKJKNT-HNNXBMFYSA-N -1 3 381.881 3.426 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(F)cc1C(F)(F)F ZINC000466539416 566582568 /nfs/dbraw/zinc/58/25/68/566582568.db2.gz BCEICQYZDBGEQD-GFCCVEGCSA-N -1 3 379.306 3.396 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CCCC1 ZINC000513146131 566583535 /nfs/dbraw/zinc/58/35/35/566583535.db2.gz AOAOCKNOTYRYJW-UHFFFAOYSA-N -1 3 389.901 3.002 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N(C)C ZINC000674283833 566583749 /nfs/dbraw/zinc/58/37/49/566583749.db2.gz HCSIAJIWMIHDCX-LBPRGKRZSA-N -1 3 381.885 3.029 20 0 GGADHM Cc1cc(Br)ccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000513149084 566584087 /nfs/dbraw/zinc/58/40/87/566584087.db2.gz JNFIZVXFTNNQCF-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)OC ZINC000513166052 566584686 /nfs/dbraw/zinc/58/46/86/566584686.db2.gz PGJANDHKNMDHND-OAHLLOKOSA-N -1 3 391.917 3.246 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)s1 ZINC000674333131 566584879 /nfs/dbraw/zinc/58/48/79/566584879.db2.gz QMDGPMKQYNNEDS-UHFFFAOYSA-N -1 3 377.491 3.461 20 0 GGADHM CCc1nccn1C[C@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000579150019 566585120 /nfs/dbraw/zinc/58/51/20/566585120.db2.gz UWUPKLWTIGNWEH-CYBMUJFWSA-N -1 3 378.270 3.218 20 0 GGADHM COCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000604901965 566585262 /nfs/dbraw/zinc/58/52/62/566585262.db2.gz MATVISDEHRXSBC-UHFFFAOYSA-N -1 3 383.853 3.026 20 0 GGADHM CCc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000579150020 566585278 /nfs/dbraw/zinc/58/52/78/566585278.db2.gz UWUPKLWTIGNWEH-ZDUSSCGKSA-N -1 3 378.270 3.218 20 0 GGADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)OC ZINC000513166051 566585247 /nfs/dbraw/zinc/58/52/47/566585247.db2.gz PGJANDHKNMDHND-HNNXBMFYSA-N -1 3 391.917 3.246 20 0 GGADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000579150891 566585708 /nfs/dbraw/zinc/58/57/08/566585708.db2.gz HEVJFCAKGCXDIX-OAHLLOKOSA-N -1 3 382.482 3.243 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](C)c1ccc(F)cc1 ZINC000513158803 566585892 /nfs/dbraw/zinc/58/58/92/566585892.db2.gz CWVUEXJKUJNNNL-NSHDSACASA-N -1 3 385.844 3.348 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000513161167 566585941 /nfs/dbraw/zinc/58/59/41/566585941.db2.gz QCBPHPILIJKAJF-CYBMUJFWSA-N -1 3 383.878 3.252 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCO[C@@H]1C1CC1 ZINC000466572913 566585971 /nfs/dbraw/zinc/58/59/71/566585971.db2.gz JNFXHRKLVFLKEH-CABCVRRESA-N -1 3 392.290 3.072 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C1 ZINC000513176214 566586756 /nfs/dbraw/zinc/58/67/56/566586756.db2.gz OSRQZFVASNDWJZ-STQMWFEESA-N -1 3 391.942 3.469 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]Cc2cnc(-c3ccc(Cl)cc3)s2)on1 ZINC000560017820 566586738 /nfs/dbraw/zinc/58/67/38/566586738.db2.gz ZTAQJCCYNBJTGO-UHFFFAOYSA-N -1 3 383.882 3.380 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000513171423 566586844 /nfs/dbraw/zinc/58/68/44/566586844.db2.gz QBUHXUQKMCKHKF-CZUORRHYSA-N -1 3 379.865 3.036 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000513182078 566587241 /nfs/dbraw/zinc/58/72/41/566587241.db2.gz UQGJRJUSKUBTCI-UHFFFAOYSA-N -1 3 389.901 3.144 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@H](c2ccccc2)C1 ZINC000486426550 566587397 /nfs/dbraw/zinc/58/73/97/566587397.db2.gz GGLWNRVQZJUANR-KRWDZBQOSA-N -1 3 391.265 3.438 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@H]1C ZINC000513169252 566587473 /nfs/dbraw/zinc/58/74/73/566587473.db2.gz BWFVGDTUIZPULR-IUODEOHRSA-N -1 3 389.901 3.000 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(C)(C)C ZINC000560029108 566588303 /nfs/dbraw/zinc/58/83/03/566588303.db2.gz QPBUUKUUTHQQSD-ZDUSSCGKSA-N -1 3 377.890 3.238 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000674346262 566588173 /nfs/dbraw/zinc/58/81/73/566588173.db2.gz LEUGFEPJRHCAGQ-LLVKDONJSA-N -1 3 381.325 3.155 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000674347163 566588710 /nfs/dbraw/zinc/58/87/10/566588710.db2.gz WIEKEOUDFVZNQE-LLVKDONJSA-N -1 3 381.325 3.155 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](C)c2ccc(Cl)s2)ccc1F ZINC000486476788 566591244 /nfs/dbraw/zinc/59/12/44/566591244.db2.gz MDVFLMUUTPGCNY-MRVPVSSYSA-N -1 3 391.877 3.331 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCNC(=O)C2CCC2)c1Cl ZINC000674419748 566593026 /nfs/dbraw/zinc/59/30/26/566593026.db2.gz JSIBNSUWXMVPDG-UHFFFAOYSA-N -1 3 393.336 3.195 20 0 GGADHM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1cc(C(F)(F)F)ccc1Cl ZINC000560068425 566593097 /nfs/dbraw/zinc/59/30/97/566593097.db2.gz VKUDSRLSUKQYSC-UHFFFAOYSA-N -1 3 393.818 3.370 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1OC ZINC000560062376 566593522 /nfs/dbraw/zinc/59/35/22/566593522.db2.gz DMDVXOXDKZIOJW-CQSZACIVSA-N -1 3 387.885 3.136 20 0 GGADHM COc1ccc([C@@H](CN(C)C)[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000560069555 566594727 /nfs/dbraw/zinc/59/47/27/566594727.db2.gz KVMVAOOVFXSNHX-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c1 ZINC000466735132 566596000 /nfs/dbraw/zinc/59/60/00/566596000.db2.gz JROSTOAXIOVKOD-UHFFFAOYSA-N -1 3 395.278 3.418 20 0 GGADHM O=C([N-]c1cccc2ocnc21)c1cc(Cn2cc(Br)cn2)on1 ZINC000560099355 566597863 /nfs/dbraw/zinc/59/78/63/566597863.db2.gz LNEDLNFZNXWWPF-UHFFFAOYSA-N -1 3 388.181 3.075 20 0 GGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486574734 566600466 /nfs/dbraw/zinc/60/04/66/566600466.db2.gz MABGABKCZBUMDK-LBPRGKRZSA-N -1 3 385.869 3.103 20 0 GGADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486575347 566600528 /nfs/dbraw/zinc/60/05/28/566600528.db2.gz NSIGCRFDTFFKCI-ROUUACIJSA-N -1 3 381.881 3.366 20 0 GGADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486575344 566600775 /nfs/dbraw/zinc/60/07/75/566600775.db2.gz NSIGCRFDTFFKCI-MSOLQXFVSA-N -1 3 381.881 3.366 20 0 GGADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486575349 566600909 /nfs/dbraw/zinc/60/09/09/566600909.db2.gz NSIGCRFDTFFKCI-ZWKOTPCHSA-N -1 3 381.881 3.366 20 0 GGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000605291694 566601629 /nfs/dbraw/zinc/60/16/29/566601629.db2.gz OWKZBJPRMQDJPD-ZDUSSCGKSA-N -1 3 385.379 3.024 20 0 GGADHM CS(=O)(=O)c1ccnc([N-]C(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000560148318 566602530 /nfs/dbraw/zinc/60/25/30/566602530.db2.gz IQJRUXBBAVSGCF-UHFFFAOYSA-N -1 3 377.422 3.000 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000579355922 566602675 /nfs/dbraw/zinc/60/26/75/566602675.db2.gz CAUGRNSOIIOPEA-CYBMUJFWSA-N -1 3 392.253 3.326 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000579355922 566602681 /nfs/dbraw/zinc/60/26/81/566602681.db2.gz CAUGRNSOIIOPEA-CYBMUJFWSA-N -1 3 392.253 3.326 20 0 GGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1(C)C ZINC000466870558 566603480 /nfs/dbraw/zinc/60/34/80/566603480.db2.gz MZKIEBCENRTZHC-TZMCWYRMSA-N -1 3 380.279 3.070 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1cnc(SC2CCCC2)nc1 ZINC000579380693 566604093 /nfs/dbraw/zinc/60/40/93/566604093.db2.gz BOMBUWFPVHABLW-UHFFFAOYSA-N -1 3 399.563 3.102 20 0 GGADHM CCNC(=O)C1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000486627519 566604680 /nfs/dbraw/zinc/60/46/80/566604680.db2.gz OEIWHXHGQKUHGX-UHFFFAOYSA-N -1 3 386.926 3.139 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C(C)C)c(Br)c1 ZINC000560166456 566604898 /nfs/dbraw/zinc/60/48/98/566604898.db2.gz OYYDHHWCINJDHO-UHFFFAOYSA-N -1 3 392.315 3.339 20 0 GGADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000486624123 566605068 /nfs/dbraw/zinc/60/50/68/566605068.db2.gz DRSITIUYZCEAEK-MRVPVSSYSA-N -1 3 393.412 3.024 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)CO[C@H]2CCOC2)c1Cl ZINC000674711119 566605201 /nfs/dbraw/zinc/60/52/01/566605201.db2.gz OULJBLXEKHXBAL-PWSUYJOCSA-N -1 3 382.309 3.083 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCC(=O)OC(C)(C)C)cc1Cl ZINC000486620448 566605471 /nfs/dbraw/zinc/60/54/71/566605471.db2.gz SEBHEZVPFQFABU-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1(C)C ZINC000466889587 566606072 /nfs/dbraw/zinc/60/60/72/566606072.db2.gz ZZSSAMUXTOCDCI-JSGCOSHPSA-N -1 3 380.279 3.070 20 0 GGADHM COc1ccc(CN[C@H](CO)Cc2ccccc2C)c(Br)c1[O-] ZINC000466898375 566606233 /nfs/dbraw/zinc/60/62/33/566606233.db2.gz VUIUEEXJRRTHPD-HNNXBMFYSA-N -1 3 380.282 3.165 20 0 GGADHM O=S(=O)([N-]CCCn1ccc2ccccc21)c1ccc(Br)cn1 ZINC000605438482 566606489 /nfs/dbraw/zinc/60/64/89/566606489.db2.gz WFDKWWVHYQSNDY-UHFFFAOYSA-N -1 3 394.294 3.167 20 0 GGADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000674745033 566607163 /nfs/dbraw/zinc/60/71/63/566607163.db2.gz RCZJJIUYCQGNLM-SNVBAGLBSA-N -1 3 398.278 3.300 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000579429809 566609351 /nfs/dbraw/zinc/60/93/51/566609351.db2.gz FRTTZJJMVSEGPX-NWDGAFQWSA-N -1 3 388.308 3.354 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1OC ZINC000605493394 566609655 /nfs/dbraw/zinc/60/96/55/566609655.db2.gz ZPOWCYQYXLXUAK-JTQLQIEISA-N -1 3 383.853 3.481 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)CCOCC2CC2)oc1-c1ccc(Cl)cc1 ZINC000425171248 566609833 /nfs/dbraw/zinc/60/98/33/566609833.db2.gz VFQMCFJICDXBFZ-UHFFFAOYSA-N -1 3 384.885 3.149 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)N1CCCCC1 ZINC000560257831 566612361 /nfs/dbraw/zinc/61/23/61/566612361.db2.gz WIILRAWKCZQXSW-UHFFFAOYSA-N -1 3 380.897 3.174 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)c(F)cc1F ZINC000579482473 566613004 /nfs/dbraw/zinc/61/30/04/566613004.db2.gz UQBXOEQNPHTQLT-UHFFFAOYSA-N -1 3 381.322 3.492 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496445 566613677 /nfs/dbraw/zinc/61/36/77/566613677.db2.gz VWWYLGAGHUGOHJ-OCCSQVGLSA-N -1 3 376.280 3.310 20 0 GGADHM Cn1ncc2c1nc(CN1CCC[C@H]1c1ccccc1Br)[n-]c2=O ZINC000674869702 566614273 /nfs/dbraw/zinc/61/42/73/566614273.db2.gz ZWQXIYNGDKSFHP-AWEZNQCLSA-N -1 3 388.269 3.169 20 0 GGADHM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]CC(=O)c1c(F)cccc1Cl ZINC000425193642 566614506 /nfs/dbraw/zinc/61/45/06/566614506.db2.gz LLDRCDIDSUGLDR-LBPRGKRZSA-N -1 3 391.892 3.177 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000652495703 566614593 /nfs/dbraw/zinc/61/45/93/566614593.db2.gz BHCWJIXQOYQJFE-TZMCWYRMSA-N -1 3 376.280 3.310 20 0 GGADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(F)cc1Br ZINC000486710995 566615147 /nfs/dbraw/zinc/61/51/47/566615147.db2.gz OUIAPDPVFBZVKK-CKEIUWERSA-N -1 3 396.281 3.452 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1Cl ZINC000605613849 566615404 /nfs/dbraw/zinc/61/54/04/566615404.db2.gz GZZWFOQAYSJNNQ-UHFFFAOYSA-N -1 3 385.869 3.299 20 0 GGADHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)s1 ZINC000425202683 566615561 /nfs/dbraw/zinc/61/55/61/566615561.db2.gz KXNGBGGRBIPMBH-LBPRGKRZSA-N -1 3 382.507 3.168 20 0 GGADHM CCc1sc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1Br ZINC000560299422 566615717 /nfs/dbraw/zinc/61/57/17/566615717.db2.gz BXVRGFGRZLHWFX-UHFFFAOYSA-N -1 3 392.282 3.429 20 0 GGADHM CCc1sc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1Br ZINC000560299422 566615724 /nfs/dbraw/zinc/61/57/24/566615724.db2.gz BXVRGFGRZLHWFX-UHFFFAOYSA-N -1 3 392.282 3.429 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C1CC1 ZINC000652515071 566615772 /nfs/dbraw/zinc/61/57/72/566615772.db2.gz NNOQTJBKEPVANV-UONOGXRCSA-N -1 3 392.253 3.042 20 0 GGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629101118 566616218 /nfs/dbraw/zinc/61/62/18/566616218.db2.gz SSEDPUYOVTUUMF-ZDUSSCGKSA-N -1 3 384.864 3.474 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000579517301 566616289 /nfs/dbraw/zinc/61/62/89/566616289.db2.gz HHHGVPVSRLOIHV-INIZCTEOSA-N -1 3 385.844 3.121 20 0 GGADHM CC1(F)CC(NC(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000560324696 566616880 /nfs/dbraw/zinc/61/68/80/566616880.db2.gz BVVPTFWQROMOSL-UHFFFAOYSA-N -1 3 388.530 3.370 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc[nH]c2=O)cc1Cl ZINC000579548535 566617004 /nfs/dbraw/zinc/61/70/04/566617004.db2.gz TUZKNJUDBODWLK-UHFFFAOYSA-N -1 3 393.646 3.013 20 0 GGADHM CCn1ccnc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000486716257 566617070 /nfs/dbraw/zinc/61/70/70/566617070.db2.gz JHNAUBHPCNOZFU-UHFFFAOYSA-N -1 3 394.660 3.383 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000539954485 566617135 /nfs/dbraw/zinc/61/71/35/566617135.db2.gz LNTIQWPHLAHMHF-UHFFFAOYSA-N -1 3 398.264 3.459 20 0 GGADHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cc(C)ccc1C ZINC000629112056 566617183 /nfs/dbraw/zinc/61/71/83/566617183.db2.gz QMDSZZXTEAYDEK-MRXNPFEDSA-N -1 3 380.535 3.301 20 0 GGADHM Cc1nsc(NC2CC2)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000560322873 566617521 /nfs/dbraw/zinc/61/75/21/566617521.db2.gz YGHICODXPSUGLJ-UHFFFAOYSA-N -1 3 382.283 3.424 20 0 GGADHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(C)(C)C)s1 ZINC000425210196 566617677 /nfs/dbraw/zinc/61/76/77/566617677.db2.gz VWYKXOZRKHBJHF-NSHDSACASA-N -1 3 382.507 3.267 20 0 GGADHM CC(C)c1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000467023257 566618158 /nfs/dbraw/zinc/61/81/58/566618158.db2.gz LBOFYDWQAKWAKC-UHFFFAOYSA-N -1 3 386.926 3.233 20 0 GGADHM C[C@H]1CN(C)C[C@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000486738215 566618165 /nfs/dbraw/zinc/61/81/65/566618165.db2.gz QNITUBVUCQCUFS-JOYOIKCWSA-N -1 3 397.704 3.051 20 0 GGADHM C[C@H](Oc1cccc(Br)c1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000539963141 566618440 /nfs/dbraw/zinc/61/84/40/566618440.db2.gz JLSMNRIHPBWNJX-LBPRGKRZSA-N -1 3 387.237 3.436 20 0 GGADHM CN(C)c1cccc(CCC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000513732820 566620665 /nfs/dbraw/zinc/62/06/65/566620665.db2.gz KPUXLGZGIMNRMA-UHFFFAOYSA-N -1 3 387.281 3.156 20 0 GGADHM O=C(CCCc1nc2ccccc2[nH]1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513741758 566620887 /nfs/dbraw/zinc/62/08/87/566620887.db2.gz CUBCKACEMFCXRO-UHFFFAOYSA-N -1 3 398.264 3.356 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1csc(C(F)(F)F)n1 ZINC000513738047 566620986 /nfs/dbraw/zinc/62/09/86/566620986.db2.gz NFOIAVVVQUNCTN-UHFFFAOYSA-N -1 3 391.172 3.246 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1CCCc2c(O)cccc21 ZINC000513733265 566621360 /nfs/dbraw/zinc/62/13/60/566621360.db2.gz OETBRNIPZNZMNX-OAHLLOKOSA-N -1 3 386.249 3.283 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CC2CC(F)(F)C2)ccc1F ZINC000449980909 566622098 /nfs/dbraw/zinc/62/20/98/566622098.db2.gz VYZYKTGPWPNSBD-UHFFFAOYSA-N -1 3 378.416 3.276 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cc(Cl)sc2Cl)cc1 ZINC000540020534 566622266 /nfs/dbraw/zinc/62/22/66/566622266.db2.gz KDDLAKHDVMJBQK-UHFFFAOYSA-N -1 3 379.290 3.356 20 0 GGADHM C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000652624878 566623167 /nfs/dbraw/zinc/62/31/67/566623167.db2.gz OZZGAJRBWAQGJX-CQSZACIVSA-N -1 3 378.519 3.311 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC000652624881 566623299 /nfs/dbraw/zinc/62/32/99/566623299.db2.gz PEOJDUYFURQLKK-KBPBESRZSA-N -1 3 398.575 3.054 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)Cc2cccc(Br)c2)c1 ZINC000513793482 566623734 /nfs/dbraw/zinc/62/37/34/566623734.db2.gz YYTWCYRGFVKCII-GFCCVEGCSA-N -1 3 386.315 3.136 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)COc2ccccc2Br)c([O-])c1 ZINC000486800812 566624551 /nfs/dbraw/zinc/62/45/51/566624551.db2.gz YUAVQNSMVWPDPL-UHFFFAOYSA-N -1 3 394.221 3.349 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629218088 566624767 /nfs/dbraw/zinc/62/47/67/566624767.db2.gz VBLZOTCVDOVUNG-VIFPVBQESA-N -1 3 377.857 3.150 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CC2(c3cccc(Br)c3)CC2)c1 ZINC000513801512 566625823 /nfs/dbraw/zinc/62/58/23/566625823.db2.gz XIZAQSRUCSTYOY-UHFFFAOYSA-N -1 3 398.326 3.237 20 0 GGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000486820342 566626108 /nfs/dbraw/zinc/62/61/08/566626108.db2.gz FAFGZFQZOFMNDK-GHMZBOCLSA-N -1 3 382.707 3.338 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000675150225 566626163 /nfs/dbraw/zinc/62/61/63/566626163.db2.gz IJLPDKPUSLZMJJ-CQSZACIVSA-N -1 3 394.356 3.412 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000540068723 566626463 /nfs/dbraw/zinc/62/64/63/566626463.db2.gz HOCGAOTZMVQSBZ-MEBBXXQBSA-N -1 3 375.899 3.465 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(Br)c1 ZINC000467120673 566627110 /nfs/dbraw/zinc/62/71/10/566627110.db2.gz XWEUXHBNWUKDAX-GFCCVEGCSA-N -1 3 388.283 3.013 20 0 GGADHM CC[C@@H]1COC(C)(C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000652759602 566628066 /nfs/dbraw/zinc/62/80/66/566628066.db2.gz IKVQEGFITIYSTQ-GFCCVEGCSA-N -1 3 393.281 3.320 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)c(Cl)c1Cl ZINC000513839020 566628601 /nfs/dbraw/zinc/62/86/01/566628601.db2.gz BNJLKNRDFYIYPW-CQSZACIVSA-N -1 3 384.325 3.323 20 0 GGADHM 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379.898 3.409 20 0 GGADHM CSc1nc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[n-]1 ZINC000426082707 566691087 /nfs/dbraw/zinc/69/10/87/566691087.db2.gz AKPZBDMUXCGJEF-UHFFFAOYSA-N -1 3 379.898 3.409 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCOCC(F)(F)F)c(Cl)c1Cl ZINC000608019726 566691268 /nfs/dbraw/zinc/69/12/68/566691268.db2.gz LOOXQAHDNZZRQX-UHFFFAOYSA-N -1 3 396.214 3.249 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000561284332 566692097 /nfs/dbraw/zinc/69/20/97/566692097.db2.gz FJZKFPAVRHHWGH-DGCLKSJQSA-N -1 3 387.910 3.100 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)OC(C)(C)C ZINC000515106903 566692518 /nfs/dbraw/zinc/69/25/18/566692518.db2.gz UZVOEVZIOJIXNP-SECBINFHSA-N -1 3 398.344 3.218 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)s1 ZINC000608030600 566692871 /nfs/dbraw/zinc/69/28/71/566692871.db2.gz URPRIVMTPQAMOR-RYUDHWBXSA-N -1 3 386.564 3.164 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCOC2CCOCC2)c1Cl ZINC000608028105 566692897 /nfs/dbraw/zinc/69/28/97/566692897.db2.gz WNUIIXMZZOZFIU-UHFFFAOYSA-N -1 3 396.336 3.474 20 0 GGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000515100289 566693162 /nfs/dbraw/zinc/69/31/62/566693162.db2.gz YBDOZOMGACUKAB-UHFFFAOYSA-N -1 3 398.278 3.274 20 0 GGADHM CO[C@@H]1COCC[C@H]1CC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000450644425 566693176 /nfs/dbraw/zinc/69/31/76/566693176.db2.gz KRWYMKWQKYOZKL-TVQRCGJNSA-N -1 3 385.251 3.159 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)s1 ZINC000608025213 566693225 /nfs/dbraw/zinc/69/32/25/566693225.db2.gz KPLRDPADWOYHRW-UHFFFAOYSA-N -1 3 379.301 3.409 20 0 GGADHM COc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000580426178 566693308 /nfs/dbraw/zinc/69/33/08/566693308.db2.gz RVWCIQSBFXNUMW-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1cnc(C2CC2)s1 ZINC000580430309 566693427 /nfs/dbraw/zinc/69/34/27/566693427.db2.gz YKZUFWKSFQTPCQ-UHFFFAOYSA-N -1 3 395.204 3.216 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000608034822 566693613 /nfs/dbraw/zinc/69/36/13/566693613.db2.gz NJXWKCIXQUVNBL-LLVKDONJSA-N -1 3 394.331 3.330 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)[C@H]2CCCO[C@@H]21 ZINC000608033055 566694066 /nfs/dbraw/zinc/69/40/66/566694066.db2.gz OZGJPXDANFZNHI-HONMWMINSA-N -1 3 392.290 3.070 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)s1 ZINC000608033776 566694203 /nfs/dbraw/zinc/69/42/03/566694203.db2.gz QGWVOYAEJYCIBG-MEBBXXQBSA-N -1 3 399.563 3.140 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@H](c2cccs2)N2CCCC2)s1 ZINC000515132402 566694455 /nfs/dbraw/zinc/69/44/55/566694455.db2.gz SJJGBHKPRPVOHL-LLVKDONJSA-N -1 3 383.568 3.092 20 0 GGADHM CCO[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C ZINC000653821840 566696350 /nfs/dbraw/zinc/69/63/50/566696350.db2.gz QELPWRPRPAUNHL-APPDUMDISA-N -1 3 393.281 3.178 20 0 GGADHM COc1ccc([O-])c(C(=O)N(C)CCOc2ccc(Br)cc2)c1 ZINC000630022293 566699158 /nfs/dbraw/zinc/69/91/58/566699158.db2.gz AOSPMMJZYPUNCG-UHFFFAOYSA-N -1 3 380.238 3.314 20 0 GGADHM CCn1cnnc1[N-]C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000515226449 566699419 /nfs/dbraw/zinc/69/94/19/566699419.db2.gz YIGSDKICUJUCCQ-UHFFFAOYSA-N -1 3 384.284 3.498 20 0 GGADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)OC ZINC000676564727 566700459 /nfs/dbraw/zinc/70/04/59/566700459.db2.gz OSTLKGOASGDBCP-SWLSCSKDSA-N -1 3 390.571 3.065 20 0 GGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000676559235 566700540 /nfs/dbraw/zinc/70/05/40/566700540.db2.gz CLLKDNVESFZIFM-UHFFFAOYSA-N -1 3 397.172 3.369 20 0 GGADHM CC(C)n1cc(C(C)(C)NC(=O)NCc2ccc([O-])c(Br)c2)nn1 ZINC000580540934 566702215 /nfs/dbraw/zinc/70/22/15/566702215.db2.gz RFKYNBOSWCIUEC-UHFFFAOYSA-N -1 3 396.289 3.062 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000561417137 566703471 /nfs/dbraw/zinc/70/34/71/566703471.db2.gz DVWAUEVSQPBDJH-JSGCOSHPSA-N -1 3 398.937 3.290 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)OCCc2sccc21 ZINC000561403420 566703602 /nfs/dbraw/zinc/70/36/02/566703602.db2.gz WHCMCJOOJQVDGT-OAHLLOKOSA-N -1 3 375.874 3.307 20 0 GGADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000426293376 566703752 /nfs/dbraw/zinc/70/37/52/566703752.db2.gz HCIJWXQBBGWAIY-UHFFFAOYSA-N -1 3 376.747 3.431 20 0 GGADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000426293376 566703754 /nfs/dbraw/zinc/70/37/54/566703754.db2.gz HCIJWXQBBGWAIY-UHFFFAOYSA-N -1 3 376.747 3.431 20 0 GGADHM O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1ccc(Br)cc1[O-] ZINC000608111239 566704912 /nfs/dbraw/zinc/70/49/12/566704912.db2.gz IHNGBRVRCWDJHB-UHFFFAOYSA-N -1 3 388.221 3.005 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CCCCS1 ZINC000541233631 566706556 /nfs/dbraw/zinc/70/65/56/566706556.db2.gz MVVAKFMHFWMWLP-CYBMUJFWSA-N -1 3 392.905 3.144 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)(C)C)s1 ZINC000561473669 566707753 /nfs/dbraw/zinc/70/77/53/566707753.db2.gz DWIQCHNJRZJVFP-OAHLLOKOSA-N -1 3 381.523 3.476 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000561477148 566707784 /nfs/dbraw/zinc/70/77/84/566707784.db2.gz KMOHASLKDXUBHK-AWEZNQCLSA-N -1 3 387.914 3.431 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000541247486 566707808 /nfs/dbraw/zinc/70/78/08/566707808.db2.gz VZLPETZHSPRTCJ-NSHDSACASA-N -1 3 395.750 3.113 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c1 ZINC000515379364 566708390 /nfs/dbraw/zinc/70/83/90/566708390.db2.gz VPUUJJPJXPRPQQ-QWRGUYRKSA-N -1 3 379.295 3.074 20 0 GGADHM O=C(NCCc1c[nH]c2cccc(Br)c12)c1cccc2nn[n-]c21 ZINC000580612233 566708391 /nfs/dbraw/zinc/70/83/91/566708391.db2.gz QQAXAYDEDCRJKI-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM O=C(NCCc1c[nH]c2cccc(Br)c12)c1cccc2[n-]nnc21 ZINC000580612233 566708395 /nfs/dbraw/zinc/70/83/95/566708395.db2.gz QQAXAYDEDCRJKI-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM O=C(NCCc1c[nH]c2cccc(Br)c12)c1cccc2n[n-]nc21 ZINC000580612233 566708399 /nfs/dbraw/zinc/70/83/99/566708399.db2.gz QQAXAYDEDCRJKI-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM CC1(C)C[C@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000488147856 566709033 /nfs/dbraw/zinc/70/90/33/566709033.db2.gz QZPRAWQBPROMRT-NSHDSACASA-N -1 3 384.548 3.064 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000561477855 566709124 /nfs/dbraw/zinc/70/91/24/566709124.db2.gz WMSKKEMJIUIPLQ-UHFFFAOYSA-N -1 3 385.285 3.481 20 0 GGADHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)cc1 ZINC000561505639 566709999 /nfs/dbraw/zinc/70/99/99/566709999.db2.gz OATZGFQGYZWRGO-SNVBAGLBSA-N -1 3 385.536 3.253 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)s1 ZINC000541812279 566750934 /nfs/dbraw/zinc/75/09/34/566750934.db2.gz YLXKXKOQZAYHRE-SSDOTTSWSA-N -1 3 381.342 3.358 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)cc1Cl ZINC000676851655 566711184 /nfs/dbraw/zinc/71/11/84/566711184.db2.gz SLNJFBQHQVKMNR-INIZCTEOSA-N -1 3 390.288 3.188 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cc(F)ccc1F)c1cccc(Cl)c1Cl ZINC000676849870 566711254 /nfs/dbraw/zinc/71/12/54/566711254.db2.gz YWCVMXVDSUJJAZ-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM C[C@](CO)([N-]S(=O)(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000676853429 566711268 /nfs/dbraw/zinc/71/12/68/566711268.db2.gz SJYWOUHCHOBDNM-OAHLLOKOSA-N -1 3 377.359 3.031 20 0 GGADHM C[C@](CO)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000676850956 566711293 /nfs/dbraw/zinc/71/12/93/566711293.db2.gz MGBHLNBJLIXCTE-OAHLLOKOSA-N -1 3 377.359 3.031 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1 ZINC000676849592 566711353 /nfs/dbraw/zinc/71/13/53/566711353.db2.gz XCSKSFBBUSHTLP-CQSZACIVSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@](C)(CO)c3ccccc3)s2)cs1 ZINC000676850163 566711361 /nfs/dbraw/zinc/71/13/61/566711361.db2.gz BAHKLRKVFTYWIA-QGZVFWFLSA-N -1 3 394.543 3.366 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)cc1Cl ZINC000676851657 566711584 /nfs/dbraw/zinc/71/15/84/566711584.db2.gz SLNJFBQHQVKMNR-MRXNPFEDSA-N -1 3 390.288 3.188 20 0 GGADHM C[C@@H](c1ccccc1Br)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000426441967 566711716 /nfs/dbraw/zinc/71/17/16/566711716.db2.gz HYWRZYIMYGULIW-LBPRGKRZSA-N -1 3 391.265 3.104 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@H](NCc2ccc(F)cc2I)C1 ZINC000580646903 566711916 /nfs/dbraw/zinc/71/19/16/566711916.db2.gz QCPAJTGGRUSSHJ-SKDRFNHKSA-N -1 3 377.197 3.163 20 0 GGADHM COC(=O)c1ccc(-c2nc(-c3ccc(I)cc3)no2)[n-]1 ZINC000426445937 566712387 /nfs/dbraw/zinc/71/23/87/566712387.db2.gz QSGUAHYWHFMBAG-UHFFFAOYSA-N -1 3 395.156 3.123 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(CO)CCCCC3)s2)cs1 ZINC000676864761 566712868 /nfs/dbraw/zinc/71/28/68/566712868.db2.gz HLGVZGKPJUPEJZ-UHFFFAOYSA-N -1 3 386.564 3.401 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)s1 ZINC000541310132 566713738 /nfs/dbraw/zinc/71/37/38/566713738.db2.gz WQDLHGFCTCZYBY-ONGXEEELSA-N -1 3 382.345 3.303 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561519020 566713732 /nfs/dbraw/zinc/71/37/32/566713732.db2.gz FOPNQWMXUOHCMF-LLVKDONJSA-N -1 3 387.395 3.047 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000608342828 566713708 /nfs/dbraw/zinc/71/37/08/566713708.db2.gz CBIHWHCXWXJSME-ZETCQYMHSA-N -1 3 378.397 3.163 20 0 GGADHM O=S(=O)([N-]CCNCc1nccc2ccccc21)c1ccc(Cl)s1 ZINC000676905245 566715843 /nfs/dbraw/zinc/71/58/43/566715843.db2.gz QUTBGTPQARBDSC-UHFFFAOYSA-N -1 3 381.910 3.018 20 0 GGADHM CS[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(C)(C)C ZINC000541313371 566715867 /nfs/dbraw/zinc/71/58/67/566715867.db2.gz UCXDQMPMQKFCNN-AWEZNQCLSA-N -1 3 390.958 3.281 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCC1=CCCCCC1 ZINC000468645817 566716753 /nfs/dbraw/zinc/71/67/53/566716753.db2.gz SLYDCYYAOWQVHU-UHFFFAOYSA-N -1 3 376.931 3.077 20 0 GGADHM Cc1ncc(CNC(=O)NCC(C)(C)c2cccc(Br)c2)c(=O)[n-]1 ZINC000541328252 566717191 /nfs/dbraw/zinc/71/71/91/566717191.db2.gz FAVVRGPUQOIEAL-UHFFFAOYSA-N -1 3 393.285 3.030 20 0 GGADHM C[C@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)CC(C)(C)C ZINC000676944727 566717504 /nfs/dbraw/zinc/71/75/04/566717504.db2.gz FGCJSLUPVLXJPI-LLVKDONJSA-N -1 3 380.963 3.258 20 0 GGADHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(Br)cc1F ZINC000426532141 566717691 /nfs/dbraw/zinc/71/76/91/566717691.db2.gz UYIILLWTTICUMK-ZETCQYMHSA-N -1 3 381.180 3.490 20 0 GGADHM C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(Br)cc1F ZINC000426532141 566717695 /nfs/dbraw/zinc/71/76/95/566717695.db2.gz UYIILLWTTICUMK-ZETCQYMHSA-N -1 3 381.180 3.490 20 0 GGADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1F ZINC000426532141 566717702 /nfs/dbraw/zinc/71/77/02/566717702.db2.gz UYIILLWTTICUMK-ZETCQYMHSA-N -1 3 381.180 3.490 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CCCc2ccc(Cl)cc2)ccc1F ZINC000580730677 566718169 /nfs/dbraw/zinc/71/81/69/566718169.db2.gz GRNGHKVNCVYXPI-UHFFFAOYSA-N -1 3 384.860 3.349 20 0 GGADHM COC[C@@H](CSc1ncc(C(=O)OC)[n-]1)c1ccc(Br)cc1 ZINC000450906919 566718421 /nfs/dbraw/zinc/71/84/21/566718421.db2.gz SDUCRXACWHSUSR-NSHDSACASA-N -1 3 385.283 3.481 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)sc1Cl ZINC000561557822 566719937 /nfs/dbraw/zinc/71/99/37/566719937.db2.gz SQDJAXZUKTXWSI-JTQLQIEISA-N -1 3 380.318 3.418 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)sc1Cl ZINC000561557823 566719956 /nfs/dbraw/zinc/71/99/56/566719956.db2.gz SQDJAXZUKTXWSI-SNVBAGLBSA-N -1 3 380.318 3.418 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000561558422 566720305 /nfs/dbraw/zinc/72/03/05/566720305.db2.gz SQCQNMWUTUYPHB-RTHLEPHNSA-N -1 3 376.331 3.040 20 0 GGADHM COc1cnc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(Br)c1 ZINC000580737805 566720352 /nfs/dbraw/zinc/72/03/52/566720352.db2.gz LXQNITBFAWPLBL-UHFFFAOYSA-N -1 3 394.250 3.202 20 0 GGADHM COc1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1Br ZINC000426627387 566720805 /nfs/dbraw/zinc/72/08/05/566720805.db2.gz GAIIXGQHTNXUDM-MRXNPFEDSA-N -1 3 398.228 3.219 20 0 GGADHM CCCOc1c(Br)cc(CNCc2cnc(C)[n-]c2=O)cc1OC ZINC000541382101 566721000 /nfs/dbraw/zinc/72/10/00/566721000.db2.gz YYFXMNBXNVYTDR-UHFFFAOYSA-N -1 3 396.285 3.340 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000561562802 566721205 /nfs/dbraw/zinc/72/12/05/566721205.db2.gz KDHWEILUYJPIQQ-NSHDSACASA-N -1 3 385.532 3.109 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1CCC1CCCC1 ZINC000488337246 566721414 /nfs/dbraw/zinc/72/14/14/566721414.db2.gz RSFZVTJGIWHSLP-INIZCTEOSA-N -1 3 384.567 3.378 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)c1 ZINC000561560112 566721377 /nfs/dbraw/zinc/72/13/77/566721377.db2.gz ANVKOGSQRXLBDO-NSHDSACASA-N -1 3 390.288 3.056 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000561560270 566721441 /nfs/dbraw/zinc/72/14/41/566721441.db2.gz KHKDXZGKLDCADX-CPFSXVBKSA-N -1 3 392.271 3.450 20 0 GGADHM COc1c(Br)cccc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426642334 566721863 /nfs/dbraw/zinc/72/18/63/566721863.db2.gz HRCBPEOPXXSZQH-HNNXBMFYSA-N -1 3 398.228 3.219 20 0 GGADHM Cc1ncc(CNCc2csc(COc3ccc(Cl)cc3)n2)c(=O)[n-]1 ZINC000541379405 566722004 /nfs/dbraw/zinc/72/20/04/566722004.db2.gz LEBOIIBUDNDRPL-UHFFFAOYSA-N -1 3 376.869 3.469 20 0 GGADHM O=C([O-])CC1(CNCc2ncc(Br)cc2Br)CCC1 ZINC000426665193 566722306 /nfs/dbraw/zinc/72/23/06/566722306.db2.gz JBSNRMYBRAFVRZ-UHFFFAOYSA-N -1 3 392.091 3.341 20 0 GGADHM O=c1[n-]nc(SCc2ccc(F)c(Br)c2)n1C[C@@H]1CCCO1 ZINC000515582734 566722307 /nfs/dbraw/zinc/72/23/07/566722307.db2.gz QLNJKXAZEUOZTL-JTQLQIEISA-N -1 3 388.262 3.357 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCC1)c1cccc(Br)c1F ZINC000541388758 566722868 /nfs/dbraw/zinc/72/28/68/566722868.db2.gz CYWYBVADYMFEBQ-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000515619146 566723924 /nfs/dbraw/zinc/72/39/24/566723924.db2.gz SROTUBRGHDKAJY-QMMMGPOBSA-N -1 3 377.413 3.085 20 0 GGADHM COc1ccc(Br)c(CNCCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000426701271 566724215 /nfs/dbraw/zinc/72/42/15/566724215.db2.gz ZMDXTRJLGPLPAV-UHFFFAOYSA-N -1 3 394.265 3.253 20 0 GGADHM C[C@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C[C@H](C)O1 ZINC000580810592 566724309 /nfs/dbraw/zinc/72/43/09/566724309.db2.gz MIUPRUFQQHZNJB-IUCAKERBSA-N -1 3 382.707 3.337 20 0 GGADHM COc1c(Br)cccc1CNCCc1ccc(OCC(=O)[O-])cc1 ZINC000426671919 566724373 /nfs/dbraw/zinc/72/43/73/566724373.db2.gz OXOMQPHQPAWYCL-UHFFFAOYSA-N -1 3 394.265 3.253 20 0 GGADHM CC(C)C1CN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000677117349 566724711 /nfs/dbraw/zinc/72/47/11/566724711.db2.gz VZFGMOXZKRWCJI-UHFFFAOYSA-N -1 3 384.567 3.477 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)s1 ZINC000580802119 566725071 /nfs/dbraw/zinc/72/50/71/566725071.db2.gz LXUNHBXXLFQSKI-UHFFFAOYSA-N -1 3 394.543 3.120 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2cc(Br)c(Cl)s2)C(=O)[O-])n1 ZINC000426731058 566725883 /nfs/dbraw/zinc/72/58/83/566725883.db2.gz CKNZHRWTDBVIFZ-LLVKDONJSA-N -1 3 392.706 3.220 20 0 GGADHM Cc1cc(SCC(=O)NCc2cnc(C)[n-]c2=O)c(C)cc1Br ZINC000541462930 566726053 /nfs/dbraw/zinc/72/60/53/566726053.db2.gz UPGAVPHJJMROGQ-UHFFFAOYSA-N -1 3 396.310 3.278 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)s1 ZINC000450973167 566726471 /nfs/dbraw/zinc/72/64/71/566726471.db2.gz RQHCPBIUQSUKAK-UHFFFAOYSA-N -1 3 379.551 3.226 20 0 GGADHM COc1ccc(Br)cc1CN[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000426741744 566726598 /nfs/dbraw/zinc/72/65/98/566726598.db2.gz MVICMXUKGWHOPH-OAHLLOKOSA-N -1 3 382.229 3.382 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)c1 ZINC000450972203 566726676 /nfs/dbraw/zinc/72/66/76/566726676.db2.gz QMUNMIIQQCQMGS-UHFFFAOYSA-N -1 3 382.576 3.449 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1cc(F)ccc1Br ZINC000426769411 566728518 /nfs/dbraw/zinc/72/85/18/566728518.db2.gz IQAIIZIAOLBIDE-CQSZACIVSA-N -1 3 396.212 3.102 20 0 GGADHM COc1cccc(C[C@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000426773869 566729112 /nfs/dbraw/zinc/72/91/12/566729112.db2.gz LQAKBUSDRPCVMA-INIZCTEOSA-N -1 3 382.229 3.382 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2Cl)[n-]1 ZINC000630431908 566729142 /nfs/dbraw/zinc/72/91/42/566729142.db2.gz FAUXLGNRGZCXGQ-UHFFFAOYSA-N -1 3 376.265 3.252 20 0 GGADHM CC(C)c1c[n-]c(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000630431908 566729153 /nfs/dbraw/zinc/72/91/53/566729153.db2.gz FAUXLGNRGZCXGQ-UHFFFAOYSA-N -1 3 376.265 3.252 20 0 GGADHM COc1cc(C[C@H](NCc2ccccc2Br)C(=O)[O-])cc(OC)c1 ZINC000426784786 566729762 /nfs/dbraw/zinc/72/97/62/566729762.db2.gz NSROCMLOYDCGCZ-KRWDZBQOSA-N -1 3 394.265 3.252 20 0 GGADHM CNC(=O)c1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426807619 566730380 /nfs/dbraw/zinc/73/03/80/566730380.db2.gz IGSPOAJHKVYFEH-INIZCTEOSA-N -1 3 391.265 3.114 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000450987197 566730308 /nfs/dbraw/zinc/73/03/08/566730308.db2.gz KICCVUQHDWIYDI-KRWDZBQOSA-N -1 3 388.867 3.341 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000515730987 566730922 /nfs/dbraw/zinc/73/09/22/566730922.db2.gz ULQARHCXXSQZAL-UHFFFAOYSA-N -1 3 387.885 3.178 20 0 GGADHM O=C([O-])[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000426808629 566731203 /nfs/dbraw/zinc/73/12/03/566731203.db2.gz AHMJKAUBSSAVBK-MRXNPFEDSA-N -1 3 378.222 3.136 20 0 GGADHM CC(C)[C@H](CC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000426811998 566731427 /nfs/dbraw/zinc/73/14/27/566731427.db2.gz PKHOBELCHQKEQS-JTQLQIEISA-N -1 3 380.080 3.196 20 0 GGADHM CNC(=O)c1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426807620 566731449 /nfs/dbraw/zinc/73/14/49/566731449.db2.gz IGSPOAJHKVYFEH-MRXNPFEDSA-N -1 3 391.265 3.114 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cccc(Br)c2F)n1 ZINC000541535982 566731903 /nfs/dbraw/zinc/73/19/03/566731903.db2.gz ZRDZXWRQNGVCJU-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1cccc(C[C@H](CNCc2ncc(Br)cc2F)C(=O)[O-])c1 ZINC000630451141 566732027 /nfs/dbraw/zinc/73/20/27/566732027.db2.gz CGGGPNKUSOMZQQ-CYBMUJFWSA-N -1 3 381.245 3.325 20 0 GGADHM Cc1ccccc1C[C@H](CNCc1ncc(Br)cc1F)C(=O)[O-] ZINC000630453301 566732049 /nfs/dbraw/zinc/73/20/49/566732049.db2.gz ZDACRCXUGNVZOD-CYBMUJFWSA-N -1 3 381.245 3.325 20 0 GGADHM CCOc1cc(CN[C@@H](Cc2ccco2)C(=O)[O-])cc(Br)c1OC ZINC000426816110 566732228 /nfs/dbraw/zinc/73/22/28/566732228.db2.gz NWHHTXCIXFGDHM-AWEZNQCLSA-N -1 3 398.253 3.235 20 0 GGADHM CCOc1c(Br)cc(CN[C@H](Cc2ccco2)C(=O)[O-])cc1OC ZINC000426817758 566732405 /nfs/dbraw/zinc/73/24/05/566732405.db2.gz UGLVDQIFPOPAGA-CQSZACIVSA-N -1 3 398.253 3.235 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(Br)o1 ZINC000426817315 566732694 /nfs/dbraw/zinc/73/26/94/566732694.db2.gz BOZYRDBBYGJHMS-LBPRGKRZSA-N -1 3 390.180 3.429 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468815730 566732829 /nfs/dbraw/zinc/73/28/29/566732829.db2.gz DASCSOSZHFJAKR-GOEBONIOSA-N -1 3 391.530 3.194 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000677240427 566732910 /nfs/dbraw/zinc/73/29/10/566732910.db2.gz BMAFFPIZGZHLFZ-LBPRGKRZSA-N -1 3 391.440 3.028 20 0 GGADHM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1cncc(Cl)c1 ZINC000677240255 566733019 /nfs/dbraw/zinc/73/30/19/566733019.db2.gz AXNZPMZULHQJDO-UHFFFAOYSA-N -1 3 394.802 3.292 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468815590 566733158 /nfs/dbraw/zinc/73/31/58/566733158.db2.gz DASCSOSZHFJAKR-GDBMZVCRSA-N -1 3 391.530 3.194 20 0 GGADHM O=C([O-])[C@H](Cc1ccco1)NCc1ccc(OC(F)F)c(Br)c1 ZINC000426817852 566733128 /nfs/dbraw/zinc/73/31/28/566733128.db2.gz QJGUGYDKAFFDSP-LBPRGKRZSA-N -1 3 390.180 3.429 20 0 GGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1OC ZINC000677238603 566733269 /nfs/dbraw/zinc/73/32/69/566733269.db2.gz CFYQUTGXTQJBIZ-UHFFFAOYSA-N -1 3 384.885 3.008 20 0 GGADHM COc1ccccc1C[C@H](CNCc1cc(C)c(Br)cn1)C(=O)[O-] ZINC000630452518 566733537 /nfs/dbraw/zinc/73/35/37/566733537.db2.gz YAUDFMLBFYSYEW-CQSZACIVSA-N -1 3 393.281 3.194 20 0 GGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541556455 566733807 /nfs/dbraw/zinc/73/38/07/566733807.db2.gz UJSFJCZUCLYOSV-UHFFFAOYSA-N -1 3 384.723 3.322 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1c(Cl)cccc1Cl ZINC000515795958 566734106 /nfs/dbraw/zinc/73/41/06/566734106.db2.gz SAZGRLLTOWCUIY-SECBINFHSA-N -1 3 393.317 3.038 20 0 GGADHM COc1cc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)c(F)cc1Br ZINC000630460276 566734462 /nfs/dbraw/zinc/73/44/62/566734462.db2.gz JFESXYJOPGYEHN-MRVPVSSYSA-N -1 3 388.155 3.340 20 0 GGADHM CCOc1cccc(C[N-]S(=O)(=O)c2cncc(Cl)c2)c1OC(F)F ZINC000677242152 566734556 /nfs/dbraw/zinc/73/45/56/566734556.db2.gz YZJKNQXOMHISSW-UHFFFAOYSA-N -1 3 392.811 3.214 20 0 GGADHM O=C([O-])C1(CNCc2ncc(Br)cc2Br)CCCC1 ZINC000580929124 566734749 /nfs/dbraw/zinc/73/47/49/566734749.db2.gz GXOUFBIEOMGRMR-UHFFFAOYSA-N -1 3 392.091 3.341 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)Cc1cc(Br)ccc1F ZINC000677244148 566734726 /nfs/dbraw/zinc/73/47/26/566734726.db2.gz FUSMGNVLPYKLDC-MRVPVSSYSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000677241029 566735188 /nfs/dbraw/zinc/73/51/88/566735188.db2.gz QZSOHHRMQDVWNA-MAUKXSAKSA-N -1 3 380.897 3.490 20 0 GGADHM CSCC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000608780351 566736636 /nfs/dbraw/zinc/73/66/36/566736636.db2.gz NIXYZNTXGVMVRQ-UHFFFAOYSA-N -1 3 393.353 3.214 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000468845865 566736909 /nfs/dbraw/zinc/73/69/09/566736909.db2.gz FYCVCDZJAPSSOJ-ZJUUUORDSA-N -1 3 389.823 3.373 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000468845640 566737072 /nfs/dbraw/zinc/73/70/72/566737072.db2.gz FYCVCDZJAPSSOJ-UWVGGRQHSA-N -1 3 389.823 3.373 20 0 GGADHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3c(F)ccc(Br)c3F)c1-2 ZINC000426886281 566737253 /nfs/dbraw/zinc/73/72/53/566737253.db2.gz KKMLRKIGWUCDDY-UHFFFAOYSA-N -1 3 384.184 3.152 20 0 GGADHM O=S(=O)(CCCCF)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000451025311 566737556 /nfs/dbraw/zinc/73/75/56/566737556.db2.gz JRRZQKAAAYRHJJ-UHFFFAOYSA-N -1 3 376.251 3.126 20 0 GGADHM CC(C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000654507121 566738071 /nfs/dbraw/zinc/73/80/71/566738071.db2.gz QUBNIWSFUKWDKT-UHFFFAOYSA-N -1 3 376.254 3.487 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(F)cc1 ZINC000488672149 566739229 /nfs/dbraw/zinc/73/92/29/566739229.db2.gz NEKWXPCCEPSDAY-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC000580974239 566739406 /nfs/dbraw/zinc/73/94/06/566739406.db2.gz FUFDWWSCXYTJHS-ZBEGNZNMSA-N -1 3 382.279 3.391 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1F ZINC000488671532 566739487 /nfs/dbraw/zinc/73/94/87/566739487.db2.gz UGQZUEIJGLCCBL-ZDUSSCGKSA-N -1 3 399.285 3.145 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000468876283 566740301 /nfs/dbraw/zinc/74/03/01/566740301.db2.gz GSJIXMBTWMVOIV-ZDUSSCGKSA-N -1 3 393.933 3.095 20 0 GGADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(OC)c1OC ZINC000488686705 566741645 /nfs/dbraw/zinc/74/16/45/566741645.db2.gz OVCURLUJJAEUGF-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@H]2c3cc(Br)ccc3CC2(C)C)on1 ZINC000580987953 566741683 /nfs/dbraw/zinc/74/16/83/566741683.db2.gz IGZVIKBLSOJCSP-HNNXBMFYSA-N -1 3 399.310 3.489 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccsc1 ZINC000451042634 566742160 /nfs/dbraw/zinc/74/21/60/566742160.db2.gz WNRQPRIXYOOJQL-HNNXBMFYSA-N -1 3 376.906 3.263 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2ccccc2)CC1)c1sccc1Cl ZINC000451047069 566742909 /nfs/dbraw/zinc/74/29/09/566742909.db2.gz QQECLSWKRPKXMU-UHFFFAOYSA-N -1 3 384.954 3.387 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000541736339 566744144 /nfs/dbraw/zinc/74/41/44/566744144.db2.gz RPAOHALURDOPRC-ZIAGYGMSSA-N -1 3 378.519 3.345 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCCN1c1ccccc1 ZINC000427066522 566744604 /nfs/dbraw/zinc/74/46/04/566744604.db2.gz ZSGSJMQFPNIPFB-INIZCTEOSA-N -1 3 375.266 3.440 20 0 GGADHM CCCc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000630624205 566744775 /nfs/dbraw/zinc/74/47/75/566744775.db2.gz LOYCIMQMZRIHMU-UHFFFAOYSA-N -1 3 398.575 3.345 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)ncn1 ZINC000677422792 566744839 /nfs/dbraw/zinc/74/48/39/566744839.db2.gz XKMUNBCMXMDPGJ-UHFFFAOYSA-N -1 3 380.882 3.040 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000541736337 566744981 /nfs/dbraw/zinc/74/49/81/566744981.db2.gz RPAOHALURDOPRC-KGLIPLIRSA-N -1 3 378.519 3.345 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c1Cl ZINC000677423052 566745134 /nfs/dbraw/zinc/74/51/34/566745134.db2.gz DGTQIRHQGOMUTK-MRVPVSSYSA-N -1 3 380.215 3.202 20 0 GGADHM COc1cnc([N-]C(=O)c2occc2Br)c(Br)c1 ZINC000561867155 566745318 /nfs/dbraw/zinc/74/53/18/566745318.db2.gz XFIOUFZMKHJVKK-UHFFFAOYSA-N -1 3 376.004 3.461 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCC(C)CC1 ZINC000488760695 566745576 /nfs/dbraw/zinc/74/55/76/566745576.db2.gz NPGAGFAOERKVRL-GFCCVEGCSA-N -1 3 382.423 3.243 20 0 GGADHM O=C(NC[C@H]1CCCC1(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581055682 566745699 /nfs/dbraw/zinc/74/56/99/566745699.db2.gz SWTRXTYFGNKOMU-SECBINFHSA-N -1 3 385.208 3.456 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1cc(F)ccc1Cl ZINC000541760611 566746008 /nfs/dbraw/zinc/74/60/08/566746008.db2.gz MNEZYWJZCNIRJN-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N2CCCC2)o1 ZINC000488764537 566746017 /nfs/dbraw/zinc/74/60/17/566746017.db2.gz RXQYNPNBKKFJRA-HNNXBMFYSA-N -1 3 386.876 3.496 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000427096413 566747035 /nfs/dbraw/zinc/74/70/35/566747035.db2.gz HCXFIUGOFUCHHP-GOEBONIOSA-N -1 3 384.567 3.376 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1Br ZINC000468956115 566747219 /nfs/dbraw/zinc/74/72/19/566747219.db2.gz NJTRENFPLPBBFB-UHFFFAOYSA-N -1 3 383.223 3.405 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1OCC1CCC1 ZINC000468959639 566747535 /nfs/dbraw/zinc/74/75/35/566747535.db2.gz MFOSKCWIKAZMHS-ZBFHGGJFSA-N -1 3 387.929 3.348 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cc1C ZINC000451063731 566747578 /nfs/dbraw/zinc/74/75/78/566747578.db2.gz QQMLTQHKDSCKIJ-LBPRGKRZSA-N -1 3 380.413 3.350 20 0 GGADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000427115582 566748126 /nfs/dbraw/zinc/74/81/26/566748126.db2.gz CFQAWRAAZYFLLK-UHFFFAOYSA-N -1 3 383.853 3.464 20 0 GGADHM CC(C)N1C[C@@H](C)[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000541798566 566748973 /nfs/dbraw/zinc/74/89/73/566748973.db2.gz MENXCCOZGSDQFH-BXUZGUMPSA-N -1 3 379.917 3.131 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCCc1ccc(F)c(Br)c1 ZINC000581089531 566749252 /nfs/dbraw/zinc/74/92/52/566749252.db2.gz SZXKIRMLMUFNTN-UHFFFAOYSA-N -1 3 377.217 3.022 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2-n2cccn2)c1Cl ZINC000516176229 566750180 /nfs/dbraw/zinc/75/01/80/566750180.db2.gz IWFHKTGVSWMBNK-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cnco1 ZINC000677502659 566750716 /nfs/dbraw/zinc/75/07/16/566750716.db2.gz XKLVLMNUARGKKK-UHFFFAOYSA-N -1 3 377.809 3.381 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1F)c1cc(Br)cc2c1OCC2 ZINC000541822683 566752344 /nfs/dbraw/zinc/75/23/44/566752344.db2.gz OZBYJKGLJSDVCL-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](C)C1 ZINC000488852520 566752739 /nfs/dbraw/zinc/75/27/39/566752739.db2.gz KQOFWFUNFZQFGP-NEPJUHHUSA-N -1 3 382.423 3.243 20 0 GGADHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F ZINC000541828348 566753038 /nfs/dbraw/zinc/75/30/38/566753038.db2.gz WCSYONSYGVORGC-LBPRGKRZSA-N -1 3 378.416 3.172 20 0 GGADHM COc1ccc(CN2C[C@@H](C)NC(=O)c3ccccc32)c(Br)c1[O-] ZINC000516220175 566753177 /nfs/dbraw/zinc/75/31/77/566753177.db2.gz NKZJFZBQIFXVNY-LLVKDONJSA-N -1 3 391.265 3.302 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000609197010 566753969 /nfs/dbraw/zinc/75/39/69/566753969.db2.gz ZGYFJRYXYNREJX-INIZCTEOSA-N -1 3 383.466 3.494 20 0 GGADHM O=C(CCn1cc(Br)cn1)Nc1cc(Br)ccc1[O-] ZINC000677591861 566755185 /nfs/dbraw/zinc/75/51/85/566755185.db2.gz VUWDSWAETVZHNX-UHFFFAOYSA-N -1 3 389.047 3.143 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000488883423 566755243 /nfs/dbraw/zinc/75/52/43/566755243.db2.gz GQWCYGUKORDQGW-UHFFFAOYSA-N -1 3 381.322 3.471 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cncc(C)c1 ZINC000677659895 566758105 /nfs/dbraw/zinc/75/81/05/566758105.db2.gz YMTHJEKVQNAKFE-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM O=C(NCc1ccco1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469054091 566758180 /nfs/dbraw/zinc/75/81/80/566758180.db2.gz VYOJXRBIVKRBNU-UHFFFAOYSA-N -1 3 381.613 3.467 20 0 GGADHM O=C(NCc1ccco1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469054091 566758185 /nfs/dbraw/zinc/75/81/85/566758185.db2.gz VYOJXRBIVKRBNU-UHFFFAOYSA-N -1 3 381.613 3.467 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1cc(Br)ccc1Cl ZINC000541870970 566758246 /nfs/dbraw/zinc/75/82/46/566758246.db2.gz YCYDJOUUEBVZED-UHFFFAOYSA-N -1 3 392.706 3.058 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1cccc(Cl)c1 ZINC000427240526 566759029 /nfs/dbraw/zinc/75/90/29/566759029.db2.gz ATWHAPOAGJJNQH-LLVKDONJSA-N -1 3 391.301 3.139 20 0 GGADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1cc(F)ccc1Cl ZINC000488968754 566760445 /nfs/dbraw/zinc/76/04/45/566760445.db2.gz GDANFCBOFGWDFJ-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000427255062 566760761 /nfs/dbraw/zinc/76/07/61/566760761.db2.gz DHXPYEHNONFYHL-RYUDHWBXSA-N -1 3 379.345 3.187 20 0 GGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1csc(I)c1 ZINC000609354606 566760877 /nfs/dbraw/zinc/76/08/77/566760877.db2.gz ZVIBAKKGYKZCFA-UHFFFAOYSA-N -1 3 395.225 3.417 20 0 GGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)CC)cc2)cc1 ZINC000451118739 566761612 /nfs/dbraw/zinc/76/16/12/566761612.db2.gz YLHYRIPYSIFAJE-UHFFFAOYSA-N -1 3 381.519 3.375 20 0 GGADHM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000451113864 566761630 /nfs/dbraw/zinc/76/16/30/566761630.db2.gz JWXXKGNLJCQRKH-UHFFFAOYSA-N -1 3 385.482 3.178 20 0 GGADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000451114361 566761695 /nfs/dbraw/zinc/76/16/95/566761695.db2.gz LWYVBRFAXUJHMR-UHFFFAOYSA-N -1 3 385.873 3.091 20 0 GGADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000451114361 566761699 /nfs/dbraw/zinc/76/16/99/566761699.db2.gz LWYVBRFAXUJHMR-UHFFFAOYSA-N -1 3 385.873 3.091 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(CC)CCOCC1 ZINC000677752173 566761680 /nfs/dbraw/zinc/76/16/80/566761680.db2.gz NLTAWRVNSURVHM-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM COc1ccc(CNc2ccc(OC(F)F)cn2)c(Br)c1[O-] ZINC000427267112 566762590 /nfs/dbraw/zinc/76/25/90/566762590.db2.gz NERATWGXCICBKB-UHFFFAOYSA-N -1 3 375.169 3.194 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000427282016 566762988 /nfs/dbraw/zinc/76/29/88/566762988.db2.gz CPZSMIPQRCFYCD-IYPVNNRCSA-N -1 3 398.575 3.168 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000516428814 566763187 /nfs/dbraw/zinc/76/31/87/566763187.db2.gz BQFRJYMUWONEKJ-PWSUYJOCSA-N -1 3 383.853 3.322 20 0 GGADHM CCN(CC)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000489010375 566763528 /nfs/dbraw/zinc/76/35/28/566763528.db2.gz JPXORRZKHONVLF-CQSZACIVSA-N -1 3 376.906 3.286 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000451131763 566764762 /nfs/dbraw/zinc/76/47/62/566764762.db2.gz SVOJBZOXUPARHF-HUUCEWRRSA-N -1 3 378.485 3.407 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000469128298 566764851 /nfs/dbraw/zinc/76/48/51/566764851.db2.gz PTPSRYPTYGXWRD-TZMCWYRMSA-N -1 3 393.958 3.318 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000469127834 566764869 /nfs/dbraw/zinc/76/48/69/566764869.db2.gz PTPSRYPTYGXWRD-GXTWGEPZSA-N -1 3 393.958 3.318 20 0 GGADHM COc1cc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)ncc1Br ZINC000677841598 566766041 /nfs/dbraw/zinc/76/60/41/566766041.db2.gz ALNAHNGNOSOONF-UHFFFAOYSA-N -1 3 393.172 3.294 20 0 GGADHM O=S(=O)([N-]CCNc1ccc2ccccc2n1)c1cc(Cl)ccc1Cl ZINC000516511275 566766023 /nfs/dbraw/zinc/76/60/23/566766023.db2.gz OKYCJSXRXUTRGW-UHFFFAOYSA-N -1 3 396.299 3.354 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)N1CCc2sccc2C1 ZINC000451159778 566767093 /nfs/dbraw/zinc/76/70/93/566767093.db2.gz DVHLCSYNZFEIGC-CQSZACIVSA-N -1 3 398.575 3.150 20 0 GGADHM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000427331970 566767382 /nfs/dbraw/zinc/76/73/82/566767382.db2.gz ROZWQFMDMHSLCX-UHFFFAOYSA-N -1 3 383.491 3.056 20 0 GGADHM COC(=O)Cc1occc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000562175849 566768986 /nfs/dbraw/zinc/76/89/86/566768986.db2.gz QNSWVCHUTKCYBT-UHFFFAOYSA-N -1 3 377.809 3.419 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCCOC2CCCCC2)s1 ZINC000609543343 566769670 /nfs/dbraw/zinc/76/96/70/566769670.db2.gz BZRABOMZLQMUNP-UHFFFAOYSA-N -1 3 389.539 3.333 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cccc(OC(F)(F)F)c1F ZINC000489137979 566772717 /nfs/dbraw/zinc/77/27/17/566772717.db2.gz ZKUABVDREHBQQD-UHFFFAOYSA-N -1 3 385.285 3.481 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000469233365 566773148 /nfs/dbraw/zinc/77/31/48/566773148.db2.gz OELBOTQIKXMGHJ-JTQLQIEISA-N -1 3 389.823 3.375 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469233490 566773601 /nfs/dbraw/zinc/77/36/01/566773601.db2.gz OECMPJXCIYGUGC-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2SC)c(F)c1 ZINC000581408493 566774938 /nfs/dbraw/zinc/77/49/38/566774938.db2.gz FFQQMMXKRXLEPR-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)c1ccon1 ZINC000542119365 566774968 /nfs/dbraw/zinc/77/49/68/566774968.db2.gz XQAORMJNZYAAPO-ZETCQYMHSA-N -1 3 399.188 3.495 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000451200148 566775098 /nfs/dbraw/zinc/77/50/98/566775098.db2.gz SJFMSEFESSPRQG-GFCCVEGCSA-N -1 3 399.818 3.133 20 0 GGADHM COc1ccc(NC(=O)COc2cccc(I)c2)c([O-])c1 ZINC000427496604 566775975 /nfs/dbraw/zinc/77/59/75/566775975.db2.gz ZOCAWTVOYHQZES-UHFFFAOYSA-N -1 3 399.184 3.023 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000451207592 566776466 /nfs/dbraw/zinc/77/64/66/566776466.db2.gz LAEHJWUWMKXGHL-TZMCWYRMSA-N -1 3 381.416 3.168 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000451207591 566776552 /nfs/dbraw/zinc/77/65/52/566776552.db2.gz LAEHJWUWMKXGHL-OCCSQVGLSA-N -1 3 381.416 3.168 20 0 GGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1Cl)C(C)C ZINC000451205397 566776857 /nfs/dbraw/zinc/77/68/57/566776857.db2.gz YBJVZTLVHOIPPN-HNNXBMFYSA-N -1 3 382.869 3.197 20 0 GGADHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469274811 566777588 /nfs/dbraw/zinc/77/75/88/566777588.db2.gz OZORCWCWCWFUNP-KRWDZBQOSA-N -1 3 375.918 3.204 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cs1 ZINC000469267024 566777606 /nfs/dbraw/zinc/77/76/06/566777606.db2.gz LROPWYVNFUINKT-UHFFFAOYSA-N -1 3 385.320 3.266 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542165441 566779414 /nfs/dbraw/zinc/77/94/14/566779414.db2.gz BCLPSCQAXKUTQP-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)no1 ZINC000542167729 566779528 /nfs/dbraw/zinc/77/95/28/566779528.db2.gz BCENMSMFTIXUJA-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000678072426 566780275 /nfs/dbraw/zinc/78/02/75/566780275.db2.gz OUIQUQLEJOGZPR-PTEHBNRSSA-N -1 3 392.315 3.082 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3nc(C)c(C)s3)[n-]c(=O)c12 ZINC000427557547 566780473 /nfs/dbraw/zinc/78/04/73/566780473.db2.gz BTEDQPYNCMPZAS-UHFFFAOYSA-N -1 3 376.463 3.191 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1C1CC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000469300934 566780767 /nfs/dbraw/zinc/78/07/67/566780767.db2.gz CWMRJBPWAOJVSL-MAUKXSAKSA-N -1 3 385.913 3.365 20 0 GGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000469308071 566780884 /nfs/dbraw/zinc/78/08/84/566780884.db2.gz RLRARLUPTHEUCW-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCc1ccc(C2CCC2)cc1 ZINC000427588085 566780997 /nfs/dbraw/zinc/78/09/97/566780997.db2.gz MKVYNOQEOGJECA-UHFFFAOYSA-N -1 3 398.937 3.264 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1C ZINC000609730586 566781204 /nfs/dbraw/zinc/78/12/04/566781204.db2.gz WGIWOYKWZPQDEF-XMMPIXPASA-N -1 3 381.519 3.381 20 0 GGADHM CNS(=O)(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1 ZINC000562322249 566781302 /nfs/dbraw/zinc/78/13/02/566781302.db2.gz UBGURYPXGZPCMT-UHFFFAOYSA-N -1 3 384.244 3.217 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000451245793 566781726 /nfs/dbraw/zinc/78/17/26/566781726.db2.gz UJRABPNROXASMT-ZDUSSCGKSA-N -1 3 384.910 3.184 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1)c1ccc(Cl)s1 ZINC000489327964 566781804 /nfs/dbraw/zinc/78/18/04/566781804.db2.gz SNQZGPIVRDHATK-LBPRGKRZSA-N -1 3 388.898 3.321 20 0 GGADHM O=C([O-])c1cnccc1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000516773401 566782185 /nfs/dbraw/zinc/78/21/85/566782185.db2.gz RMFIWLRXSUKFRI-UHFFFAOYSA-N -1 3 390.281 3.041 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C)c1ccc(Cl)cc1 ZINC000562347282 566783016 /nfs/dbraw/zinc/78/30/16/566783016.db2.gz WUIUJRXZESWOGB-INIZCTEOSA-N -1 3 385.917 3.400 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000489347394 566782900 /nfs/dbraw/zinc/78/29/00/566782900.db2.gz YKJVWEDXKIYTIU-ZBFHGGJFSA-N -1 3 384.567 3.376 20 0 GGADHM CCOCC(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562342255 566783375 /nfs/dbraw/zinc/78/33/75/566783375.db2.gz LEPGOVDXRHWTPC-UHFFFAOYSA-N -1 3 381.270 3.083 20 0 GGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489345062 566783423 /nfs/dbraw/zinc/78/34/23/566783423.db2.gz BRZMRAJZSZPMFV-VXGBXAGGSA-N -1 3 378.947 3.107 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000451266238 566784697 /nfs/dbraw/zinc/78/46/97/566784697.db2.gz YPNRUCWJUDHHMW-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM CSc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000516819384 566785015 /nfs/dbraw/zinc/78/50/15/566785015.db2.gz LBMVQKYVZOOOKE-UHFFFAOYSA-N -1 3 394.946 3.331 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1 ZINC000542238874 566785019 /nfs/dbraw/zinc/78/50/19/566785019.db2.gz OXLJCRZPZBPFFA-LLVKDONJSA-N -1 3 380.329 3.022 20 0 GGADHM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000609796311 566785354 /nfs/dbraw/zinc/78/53/54/566785354.db2.gz NIJZVNONXWKEJJ-XMMPIXPASA-N -1 3 393.408 3.166 20 0 GGADHM CCn1cc(-c2nn(C)cc2C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000427663841 566786131 /nfs/dbraw/zinc/78/61/31/566786131.db2.gz FZDWPRFLIHFHRM-UHFFFAOYSA-N -1 3 390.241 3.024 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000516846043 566786456 /nfs/dbraw/zinc/78/64/56/566786456.db2.gz BLPLSWDHPVOLNC-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CCC1CC1 ZINC000469392121 566787234 /nfs/dbraw/zinc/78/72/34/566787234.db2.gz ZCCRYUQIVICPTI-VIFPVBQESA-N -1 3 380.279 3.454 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2F)c1 ZINC000542240645 566787423 /nfs/dbraw/zinc/78/74/23/566787423.db2.gz OTJDNTRCANZQRI-UHFFFAOYSA-N -1 3 379.787 3.287 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCC2CC2)cc1 ZINC000469386097 566787509 /nfs/dbraw/zinc/78/75/09/566787509.db2.gz LPXFFKHHMPOPNL-AWEZNQCLSA-N -1 3 388.555 3.085 20 0 GGADHM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427672379 566787801 /nfs/dbraw/zinc/78/78/01/566787801.db2.gz MIPYSEMLNOYIRG-MRVPVSSYSA-N -1 3 394.181 3.047 20 0 GGADHM CC(C)[C@@H](C(=O)[N-]c1cc(-c2ccc(Br)o2)no1)N1CCCC1=O ZINC000427668908 566787842 /nfs/dbraw/zinc/78/78/42/566787842.db2.gz TXTRYJWOAZTURH-HNNXBMFYSA-N -1 3 396.241 3.283 20 0 GGADHM CC(C)[C@H](C(=O)[N-]c1cc(-c2ccc(Br)o2)no1)N1CCCC1=O ZINC000427668909 566787921 /nfs/dbraw/zinc/78/79/21/566787921.db2.gz TXTRYJWOAZTURH-OAHLLOKOSA-N -1 3 396.241 3.283 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c(C)cn1 ZINC000562406496 566788083 /nfs/dbraw/zinc/78/80/83/566788083.db2.gz NYFXTCSSJDCQAI-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCCC1)c1cccc(OC(F)(F)F)c1F ZINC000489423235 566788435 /nfs/dbraw/zinc/78/84/35/566788435.db2.gz GFMSZDPXZBLVHT-UHFFFAOYSA-N -1 3 385.379 3.088 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469417228 566788340 /nfs/dbraw/zinc/78/83/40/566788340.db2.gz ALKVOTQZHYJLLD-MRXNPFEDSA-N -1 3 382.551 3.192 20 0 GGADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(Cl)cc1Br ZINC000542298887 566792100 /nfs/dbraw/zinc/79/21/00/566792100.db2.gz RBIXNYNYUIHGCE-ZDUSSCGKSA-N -1 3 396.734 3.322 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cs1 ZINC000451297592 566791984 /nfs/dbraw/zinc/79/19/84/566791984.db2.gz CSOPHDKDPSOSTK-VIFPVBQESA-N -1 3 378.878 3.263 20 0 GGADHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2F)cn1 ZINC000542318744 566792707 /nfs/dbraw/zinc/79/27/07/566792707.db2.gz ZMVNXIAHELVAFQ-SNVBAGLBSA-N -1 3 390.278 3.405 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000451308659 566792765 /nfs/dbraw/zinc/79/27/65/566792765.db2.gz PTGCAJQAPLDHSE-CYBMUJFWSA-N -1 3 399.456 3.020 20 0 GGADHM COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(Br)c1OC ZINC000516933066 566792731 /nfs/dbraw/zinc/79/27/31/566792731.db2.gz ORPKQQQZBABJGL-WBIUFABUSA-N -1 3 384.270 3.151 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000542317458 566793005 /nfs/dbraw/zinc/79/30/05/566793005.db2.gz YPSKWCSVOIHRQD-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000542315404 566792856 /nfs/dbraw/zinc/79/28/56/566792856.db2.gz FGVXGJBINHYABS-ZIAGYGMSSA-N -1 3 394.718 3.338 20 0 GGADHM CO[C@H]1CCN(Cc2cc(Br)cc3cccnc32)[C@H](C(=O)[O-])C1 ZINC000516939063 566793414 /nfs/dbraw/zinc/79/34/14/566793414.db2.gz KQYIBMOEUQVODL-GJZGRUSLSA-N -1 3 379.254 3.061 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1cccc(Br)c1F ZINC000542319433 566793476 /nfs/dbraw/zinc/79/34/76/566793476.db2.gz ICEOJPMVWRDCMG-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)c1nc(C)cs1 ZINC000489516288 566793628 /nfs/dbraw/zinc/79/36/28/566793628.db2.gz OZOFPWFIWYMUTP-MRXNPFEDSA-N -1 3 388.555 3.120 20 0 GGADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)cc1 ZINC000678299751 566793816 /nfs/dbraw/zinc/79/38/16/566793816.db2.gz GBPJGFOTEJVDCB-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427760072 566795611 /nfs/dbraw/zinc/79/56/11/566795611.db2.gz NFVSPVICZURMCJ-UHFFFAOYSA-N -1 3 377.238 3.086 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1ccc([O-])c(Br)c1 ZINC000451331542 566797453 /nfs/dbraw/zinc/79/74/53/566797453.db2.gz OAQJPDDRFXBUEQ-NSHDSACASA-N -1 3 398.269 3.400 20 0 GGADHM O=C(NC[C@@H]1CCCCS1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000542394620 566797608 /nfs/dbraw/zinc/79/76/08/566797608.db2.gz BYFOCLAXRLPSOW-NSHDSACASA-N -1 3 381.295 3.306 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000655393131 566798784 /nfs/dbraw/zinc/79/87/84/566798784.db2.gz NEEBNICNGZPCHO-UHFFFAOYSA-N -1 3 381.657 3.331 20 0 GGADHM Cc1ncc(CNC(=O)Nc2cc(Br)ccc2OC(C)C)c(=O)[n-]1 ZINC000542404604 566798846 /nfs/dbraw/zinc/79/88/46/566798846.db2.gz DGQMNOIDLAKXPQ-UHFFFAOYSA-N -1 3 395.257 3.362 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2C(F)(F)F)c1 ZINC000451340907 566798792 /nfs/dbraw/zinc/79/87/92/566798792.db2.gz LVJFBGYPKPZNTJ-GFCCVEGCSA-N -1 3 393.452 3.205 20 0 GGADHM CCCCC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000489626196 566799271 /nfs/dbraw/zinc/79/92/71/566799271.db2.gz TZZBTXSAMGGXDY-UHFFFAOYSA-N -1 3 378.288 3.094 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2C(F)(F)F)c1 ZINC000451340908 566799307 /nfs/dbraw/zinc/79/93/07/566799307.db2.gz LVJFBGYPKPZNTJ-LBPRGKRZSA-N -1 3 393.452 3.205 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000610005810 566799475 /nfs/dbraw/zinc/79/94/75/566799475.db2.gz CSTWCGRFQIFGRA-HUUCEWRRSA-N -1 3 379.503 3.224 20 0 GGADHM COC[C@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469559750 566799839 /nfs/dbraw/zinc/79/98/39/566799839.db2.gz BVRIIPNIPGGEEJ-QMMMGPOBSA-N -1 3 387.661 3.051 20 0 GGADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1cccc(OC(F)(F)F)c1F ZINC000489632922 566799795 /nfs/dbraw/zinc/79/97/95/566799795.db2.gz WWQVGVPYCCPRLB-UHFFFAOYSA-N -1 3 375.343 3.170 20 0 GGADHM COC[C@H](C)N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469559750 566799846 /nfs/dbraw/zinc/79/98/46/566799846.db2.gz BVRIIPNIPGGEEJ-QMMMGPOBSA-N -1 3 387.661 3.051 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451344645 566800571 /nfs/dbraw/zinc/80/05/71/566800571.db2.gz JXSKVDJINZPFNR-LBPRGKRZSA-N -1 3 385.942 3.300 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000489658944 566800578 /nfs/dbraw/zinc/80/05/78/566800578.db2.gz MGYSHUXNZCFMIE-NSHDSACASA-N -1 3 393.515 3.177 20 0 GGADHM COc1ccc(Br)cc1C(=O)CCC(=O)Nc1nc(C)ccc1[O-] ZINC000542444444 566800780 /nfs/dbraw/zinc/80/07/80/566800780.db2.gz HBCVPQQTVRLQSO-UHFFFAOYSA-N -1 3 393.237 3.468 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000489661763 566800790 /nfs/dbraw/zinc/80/07/90/566800790.db2.gz ZRLFSSRVOWOXGN-QMMMGPOBSA-N -1 3 384.376 3.263 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1cccnc1C1CC1 ZINC000581720075 566801004 /nfs/dbraw/zinc/80/10/04/566801004.db2.gz SLMASDQJJSHTTN-UHFFFAOYSA-N -1 3 389.175 3.155 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1c(Cl)cccc1Br ZINC000562550066 566800992 /nfs/dbraw/zinc/80/09/92/566800992.db2.gz PHZLMODKZGUXJB-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)c1F ZINC000655471513 566801160 /nfs/dbraw/zinc/80/11/60/566801160.db2.gz IBXHYQKEVYZFFA-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489672802 566801734 /nfs/dbraw/zinc/80/17/34/566801734.db2.gz BFQFYWGPTUNPHW-CYBMUJFWSA-N -1 3 387.395 3.046 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCC(=O)c1c(Cl)cccc1Cl ZINC000655464709 566802039 /nfs/dbraw/zinc/80/20/39/566802039.db2.gz FYMUGWGAFYAJRM-UHFFFAOYSA-N -1 3 376.265 3.302 20 0 GGADHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000678484402 566802095 /nfs/dbraw/zinc/80/20/95/566802095.db2.gz DCJRHWKLONOXTQ-UHFFFAOYSA-N -1 3 391.312 3.010 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489672807 566802123 /nfs/dbraw/zinc/80/21/23/566802123.db2.gz BFQFYWGPTUNPHW-ZDUSSCGKSA-N -1 3 387.395 3.046 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000427862730 566803053 /nfs/dbraw/zinc/80/30/53/566803053.db2.gz HZRSCEJBJVCDRP-UHFFFAOYSA-N -1 3 380.293 3.289 20 0 GGADHM COc1cncc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000542466129 566803296 /nfs/dbraw/zinc/80/32/96/566803296.db2.gz HCJKMEKDWKZZDG-CQSZACIVSA-N -1 3 378.347 3.201 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)c1nccs1 ZINC000542463867 566803449 /nfs/dbraw/zinc/80/34/49/566803449.db2.gz CIKWGULPRCZJEG-MRVPVSSYSA-N -1 3 379.276 3.127 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cc(Br)ccc1F ZINC000581741851 566803446 /nfs/dbraw/zinc/80/34/46/566803446.db2.gz GGLBNQZWQTXDCT-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1ccc(Cl)cc1 ZINC000427869380 566803490 /nfs/dbraw/zinc/80/34/90/566803490.db2.gz WHJZAZQWSTXSJA-GUYCJALGSA-N -1 3 381.881 3.277 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000542467213 566803752 /nfs/dbraw/zinc/80/37/52/566803752.db2.gz SCOQOTXXTWSVLX-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1cccc(Br)c1F ZINC000542463787 566803981 /nfs/dbraw/zinc/80/39/81/566803981.db2.gz PGPVPMFZBISXTG-LLVKDONJSA-N -1 3 390.205 3.139 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000581736745 566804043 /nfs/dbraw/zinc/80/40/43/566804043.db2.gz HDTWNVTUJALCSF-STQMWFEESA-N -1 3 391.320 3.205 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)c1nccs1 ZINC000542463868 566804026 /nfs/dbraw/zinc/80/40/26/566804026.db2.gz CIKWGULPRCZJEG-QMMMGPOBSA-N -1 3 379.276 3.127 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C(C)(C)O1 ZINC000542468697 566804050 /nfs/dbraw/zinc/80/40/50/566804050.db2.gz NHRKZVFDPKWYJM-NSHDSACASA-N -1 3 380.279 3.213 20 0 GGADHM COc1cc2nc([N-]S(=O)(=O)Cc3ccccc3Cl)[nH]c2cc1OC ZINC000562577592 566804682 /nfs/dbraw/zinc/80/46/82/566804682.db2.gz HLZBFYZPSLJVPZ-UHFFFAOYSA-N -1 3 381.841 3.175 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(F)c(F)c1 ZINC000451370055 566804628 /nfs/dbraw/zinc/80/46/28/566804628.db2.gz BYGUECNPGIGCKR-DOMZBBRYSA-N -1 3 383.407 3.397 20 0 GGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1 ZINC000489721183 566805485 /nfs/dbraw/zinc/80/54/85/566805485.db2.gz VSRDHQIFFSDOGS-LBPRGKRZSA-N -1 3 381.828 3.373 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)sc1C ZINC000489720616 566805649 /nfs/dbraw/zinc/80/56/49/566805649.db2.gz UWEPYVVTLYYKDQ-UHFFFAOYSA-N -1 3 398.403 3.319 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000610108916 566806083 /nfs/dbraw/zinc/80/60/83/566806083.db2.gz NUVSASHZEFAMHT-UHFFFAOYSA-N -1 3 376.463 3.261 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000610108916 566806089 /nfs/dbraw/zinc/80/60/89/566806089.db2.gz NUVSASHZEFAMHT-UHFFFAOYSA-N -1 3 376.463 3.261 20 0 GGADHM Cn1[n-]c(=NC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1OC(F)F ZINC000427953993 566806743 /nfs/dbraw/zinc/80/67/43/566806743.db2.gz XSRMQBNPCOMILQ-UHFFFAOYSA-N -1 3 398.218 3.413 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cncc(Br)c2)n1 ZINC000517088275 566806806 /nfs/dbraw/zinc/80/68/06/566806806.db2.gz SPSKJLIZGKGYSS-UHFFFAOYSA-N -1 3 390.328 3.077 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H](CCO)c2ccccc2Br)c1 ZINC000451382418 566808492 /nfs/dbraw/zinc/80/84/92/566808492.db2.gz GVZAKLWTLMOWEG-ZDUSSCGKSA-N -1 3 390.324 3.221 20 0 GGADHM C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)S(=O)(=O)c1cccc([O-])c1 ZINC000517182830 566809180 /nfs/dbraw/zinc/80/91/80/566809180.db2.gz WUTVZRITYLEUBX-NSHDSACASA-N -1 3 385.844 3.006 20 0 GGADHM C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)S(=O)(=O)c1cccc([O-])c1 ZINC000517182829 566809649 /nfs/dbraw/zinc/80/96/49/566809649.db2.gz WUTVZRITYLEUBX-LLVKDONJSA-N -1 3 385.844 3.006 20 0 GGADHM C[C@H](CCC(C)(C)C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000542527467 566809929 /nfs/dbraw/zinc/80/99/29/566809929.db2.gz JOFCCDUGGYUMMC-LLVKDONJSA-N -1 3 380.963 3.258 20 0 GGADHM CC(C)c1nnc(CCNC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000489785874 566810331 /nfs/dbraw/zinc/81/03/31/566810331.db2.gz APBIEWPRKZTCSB-UHFFFAOYSA-N -1 3 399.314 3.172 20 0 GGADHM Cc1cc(Br)c(NC(=O)CNC(=O)c2cccc([O-])c2)cc1Cl ZINC000428008391 566810455 /nfs/dbraw/zinc/81/04/55/566810455.db2.gz PFIHYNGIHNMNNI-UHFFFAOYSA-N -1 3 397.656 3.485 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000489817137 566811350 /nfs/dbraw/zinc/81/13/50/566811350.db2.gz SWNWSMNOXJIOPS-UHFFFAOYSA-N -1 3 378.347 3.160 20 0 GGADHM CN(CCCN(C)C(=O)c1cccc(Br)c1[O-])Cc1ccco1 ZINC000517192463 566811428 /nfs/dbraw/zinc/81/14/28/566811428.db2.gz KFSLXNJVHODORU-UHFFFAOYSA-N -1 3 381.270 3.342 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1[O-] ZINC000428050521 566812012 /nfs/dbraw/zinc/81/20/12/566812012.db2.gz AHPPIIGARDBWQE-CQSZACIVSA-N -1 3 391.265 3.172 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c1 ZINC000489830185 566812839 /nfs/dbraw/zinc/81/28/39/566812839.db2.gz WAPQTFHVVUGYHA-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM COc1cc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[O-] ZINC000581903410 566813089 /nfs/dbraw/zinc/81/30/89/566813089.db2.gz AKZLTATWKYJSRX-UHFFFAOYSA-N -1 3 383.231 3.466 20 0 GGADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1ccc(C(F)F)o1 ZINC000631658529 566813249 /nfs/dbraw/zinc/81/32/49/566813249.db2.gz HHKOMZDYAXPCGN-NSHDSACASA-N -1 3 376.450 3.394 20 0 GGADHM CCc1nnsc1C(=O)[N-]c1cc(C(=O)OC)c(F)cc1Br ZINC000610182313 566813319 /nfs/dbraw/zinc/81/33/19/566813319.db2.gz NZEYZBLPBQHYDU-UHFFFAOYSA-N -1 3 388.218 3.041 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C[C@H](C)O1 ZINC000489868117 566813901 /nfs/dbraw/zinc/81/39/01/566813901.db2.gz YRAAPMPSLKEGIK-JGPRNRPPSA-N -1 3 385.379 3.206 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccncc1F ZINC000489863388 566814331 /nfs/dbraw/zinc/81/43/31/566814331.db2.gz SKETWGNVZYOWBU-MRVPVSSYSA-N -1 3 382.310 3.298 20 0 GGADHM C[C@]1(CCCO)CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000542639427 566815245 /nfs/dbraw/zinc/81/52/45/566815245.db2.gz VMBHWNCVGFTFKS-GOSISDBHSA-N -1 3 393.281 3.058 20 0 GGADHM C[C@@]1(CCCO)CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000542639428 566815361 /nfs/dbraw/zinc/81/53/61/566815361.db2.gz VMBHWNCVGFTFKS-SFHVURJKSA-N -1 3 393.281 3.058 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1F ZINC000655581163 566816251 /nfs/dbraw/zinc/81/62/51/566816251.db2.gz IVWJDIANAFHKQJ-JOYOIKCWSA-N -1 3 375.343 3.086 20 0 GGADHM O=C([O-])CCC1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000581948935 566816354 /nfs/dbraw/zinc/81/63/54/566816354.db2.gz HUCBVQTVGAZXBT-CQSZACIVSA-N -1 3 376.280 3.310 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CC2)c1nc(C(F)(F)F)cs1 ZINC000655576262 566816520 /nfs/dbraw/zinc/81/65/20/566816520.db2.gz OJOPPQWAUWGOOQ-MRVPVSSYSA-N -1 3 390.408 3.330 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1cccc(Br)c1Cl ZINC000562728012 566816769 /nfs/dbraw/zinc/81/67/69/566816769.db2.gz FATOGIREJSUKGW-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1ccccc1Br ZINC000610231316 566816685 /nfs/dbraw/zinc/81/66/85/566816685.db2.gz MBEXPYLNAJKMRK-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1ccccc1Br ZINC000610231316 566816690 /nfs/dbraw/zinc/81/66/90/566816690.db2.gz MBEXPYLNAJKMRK-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000451433121 566816833 /nfs/dbraw/zinc/81/68/33/566816833.db2.gz MMWDMWNQUTZVPK-AVGNSLFASA-N -1 3 393.418 3.215 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000610231282 566816891 /nfs/dbraw/zinc/81/68/91/566816891.db2.gz JXMXSJVLWAEJTB-SECBINFHSA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000610231282 566816895 /nfs/dbraw/zinc/81/68/95/566816895.db2.gz JXMXSJVLWAEJTB-SECBINFHSA-N -1 3 396.241 3.063 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000451433126 566817045 /nfs/dbraw/zinc/81/70/45/566817045.db2.gz MMWDMWNQUTZVPK-FRRDWIJNSA-N -1 3 393.418 3.215 20 0 GGADHM COC(=O)[C@H](NCc1cc([O-])ccc1Br)c1ccc(OC)cc1 ZINC000428092632 566817050 /nfs/dbraw/zinc/81/70/50/566817050.db2.gz PTNVQBJQUVUECI-MRXNPFEDSA-N -1 3 380.238 3.167 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000542690184 566817562 /nfs/dbraw/zinc/81/75/62/566817562.db2.gz AKINMFVOJIAHFY-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)no1 ZINC000451423024 566817588 /nfs/dbraw/zinc/81/75/88/566817588.db2.gz RWRIQHDWTIPKDK-GFCCVEGCSA-N -1 3 380.457 3.235 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2ccc3sccc3c2)ccc1F ZINC000581975347 566818893 /nfs/dbraw/zinc/81/88/93/566818893.db2.gz ZLSFPNIXKWBZRS-UHFFFAOYSA-N -1 3 378.450 3.342 20 0 GGADHM COc1cccc(C2([N-]S(=O)(=O)c3cc(C)cs3)CCOCC2)c1F ZINC000451452779 566820643 /nfs/dbraw/zinc/82/06/43/566820643.db2.gz DXZJMPXOBCYFIQ-UHFFFAOYSA-N -1 3 385.482 3.188 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000489980468 566820603 /nfs/dbraw/zinc/82/06/03/566820603.db2.gz IPCSQOGYJUFATO-UHFFFAOYSA-N -1 3 384.242 3.090 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1F ZINC000517344994 566821115 /nfs/dbraw/zinc/82/11/15/566821115.db2.gz RKPVAFQDFJRPJE-WDEREUQCSA-N -1 3 382.379 3.041 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c1F ZINC000655606765 566821231 /nfs/dbraw/zinc/82/12/31/566821231.db2.gz VUJZTFMDDLMAEJ-MRXNPFEDSA-N -1 3 385.482 3.078 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccccc1Cl ZINC000451457888 566821667 /nfs/dbraw/zinc/82/16/67/566821667.db2.gz NUXRTPAWGIJTLR-SKDRFNHKSA-N -1 3 387.807 3.205 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000517373747 566822359 /nfs/dbraw/zinc/82/23/59/566822359.db2.gz VXJCZYYWBLIGHM-LBPRGKRZSA-N -1 3 380.407 3.140 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000489992805 566822256 /nfs/dbraw/zinc/82/22/56/566822256.db2.gz MWDFMSXDVGXNIO-JTQLQIEISA-N -1 3 383.844 3.077 20 0 GGADHM C[C@@H](CN1CCCCC1)NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000542730189 566822300 /nfs/dbraw/zinc/82/23/00/566822300.db2.gz TXHLHZSEPPQQML-LBPRGKRZSA-N -1 3 379.917 3.276 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000517373544 566822853 /nfs/dbraw/zinc/82/28/53/566822853.db2.gz NKXKHQRYKGMKMY-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000517373746 566822871 /nfs/dbraw/zinc/82/28/71/566822871.db2.gz VXJCZYYWBLIGHM-GFCCVEGCSA-N -1 3 380.407 3.140 20 0 GGADHM COc1ccc(Br)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000582017831 566822860 /nfs/dbraw/zinc/82/28/60/566822860.db2.gz FXQPIRWBJJKVJN-UHFFFAOYSA-N -1 3 399.266 3.082 20 0 GGADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)[C@@H]1CC1(C)C ZINC000428193353 566823323 /nfs/dbraw/zinc/82/33/23/566823323.db2.gz FWXLRCNEJKEDRF-CYBMUJFWSA-N -1 3 396.228 3.003 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000582017290 566823561 /nfs/dbraw/zinc/82/35/61/566823561.db2.gz JEQZMIYPCTWJPZ-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1C ZINC000542754100 566823957 /nfs/dbraw/zinc/82/39/57/566823957.db2.gz UGFVKDWNYIEICI-CYBMUJFWSA-N -1 3 384.420 3.064 20 0 GGADHM Cc1cnc(CC[N-]S(=O)(=O)c2cccc(Br)c2F)c(C)c1 ZINC000655634056 566824512 /nfs/dbraw/zinc/82/45/12/566824512.db2.gz BUTKVCHZIGXINR-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)cc1OC ZINC000490018927 566824575 /nfs/dbraw/zinc/82/45/75/566824575.db2.gz SAQLCFDVMFQPKG-LLVKDONJSA-N -1 3 381.416 3.337 20 0 GGADHM Cc1cnc(CC[N-]S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000655635003 566825378 /nfs/dbraw/zinc/82/53/78/566825378.db2.gz FFYTUEKRIWLYBS-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000451495470 566826476 /nfs/dbraw/zinc/82/64/76/566826476.db2.gz BCDHSBAJGYMTAU-GXFFZTMASA-N -1 3 399.456 3.273 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc3ccccc32)s1 ZINC000562832408 566826886 /nfs/dbraw/zinc/82/68/86/566826886.db2.gz DXRQADJHEWFFDU-LLVKDONJSA-N -1 3 375.475 3.294 20 0 GGADHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000655653325 566826719 /nfs/dbraw/zinc/82/67/19/566826719.db2.gz MUGZQNWNTPDNNT-SNVBAGLBSA-N -1 3 378.347 3.029 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)Cc3ccccn3)s2)cs1 ZINC000655651145 566827023 /nfs/dbraw/zinc/82/70/23/566827023.db2.gz LFNMJLOAQAUAHR-LLVKDONJSA-N -1 3 379.532 3.485 20 0 GGADHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000655652605 566827079 /nfs/dbraw/zinc/82/70/79/566827079.db2.gz FKQCJVHABHLMRJ-SNVBAGLBSA-N -1 3 376.812 3.246 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428241519 566827647 /nfs/dbraw/zinc/82/76/47/566827647.db2.gz KKYBLGZAUGADPG-ZJUUUORDSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)sc1Br ZINC000655651375 566827788 /nfs/dbraw/zinc/82/77/88/566827788.db2.gz NMDRAACAWWUZOI-JTQLQIEISA-N -1 3 375.313 3.124 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428265892 566828286 /nfs/dbraw/zinc/82/82/86/566828286.db2.gz QQADAPGDYURHQF-RNCFNFMXSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000451502185 566828441 /nfs/dbraw/zinc/82/84/41/566828441.db2.gz PZVWQUNFEDGGRH-BXKDBHETSA-N -1 3 388.263 3.382 20 0 GGADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000517493084 566828591 /nfs/dbraw/zinc/82/85/91/566828591.db2.gz AOQOGJKKLWUIFO-JTQLQIEISA-N -1 3 384.910 3.196 20 0 GGADHM O=S(=O)(C[C@H]1CCCC(F)(F)C1)[N-]Cc1noc(-c2cccs2)n1 ZINC000631815113 566829111 /nfs/dbraw/zinc/82/91/11/566829111.db2.gz XFHSLNODKZVRTF-JTQLQIEISA-N -1 3 377.438 3.043 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1CO)c1cc(Cl)ccc1C(F)(F)F ZINC000562852589 566828998 /nfs/dbraw/zinc/82/89/98/566828998.db2.gz ARSOJJANRYMOSX-UHFFFAOYSA-N -1 3 379.787 3.330 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)c(Cl)c1Cl ZINC000490083628 566830768 /nfs/dbraw/zinc/83/07/68/566830768.db2.gz CPGYLPANCILTHK-OAHLLOKOSA-N -1 3 396.336 3.468 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1(CO)CCC1 ZINC000490098865 566830982 /nfs/dbraw/zinc/83/09/82/566830982.db2.gz DFUVJVMOWKPWDP-AWEZNQCLSA-N -1 3 394.306 3.054 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C1(CO)CCC1 ZINC000490100741 566831030 /nfs/dbraw/zinc/83/10/30/566831030.db2.gz WRXHQCXYZVBFEA-CQSZACIVSA-N -1 3 394.306 3.054 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000451515341 566832228 /nfs/dbraw/zinc/83/22/28/566832228.db2.gz WGORYBQZTRAWLM-ZWNOBZJWSA-N -1 3 399.456 3.273 20 0 GGADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000631900578 566832734 /nfs/dbraw/zinc/83/27/34/566832734.db2.gz UXTHYLIUKDMPAS-SSDOTTSWSA-N -1 3 378.401 3.164 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCCC2(CCCCC2)CC1 ZINC000469972387 566833147 /nfs/dbraw/zinc/83/31/47/566833147.db2.gz KCIZKIDIDWJAPY-UHFFFAOYSA-N -1 3 384.567 3.380 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1Cl ZINC000655669226 566833390 /nfs/dbraw/zinc/83/33/90/566833390.db2.gz NAEZECZUVFZITA-RYUDHWBXSA-N -1 3 393.336 3.297 20 0 GGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428371347 566833622 /nfs/dbraw/zinc/83/36/22/566833622.db2.gz WBBIUFLGBLISGE-CHWSQXEVSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCN4CCCC[C@H]34)s2)cs1 ZINC000655668574 566834444 /nfs/dbraw/zinc/83/44/44/566834444.db2.gz HABNNJAUPXTILJ-DZGCQCFKSA-N -1 3 397.591 3.475 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451547678 566835415 /nfs/dbraw/zinc/83/54/15/566835415.db2.gz LMXNNLVODDUCLX-UHFFFAOYSA-N -1 3 381.807 3.301 20 0 GGADHM CO[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(C)C ZINC000562932216 566835836 /nfs/dbraw/zinc/83/58/36/566835836.db2.gz ODENAEMHGDKMBJ-INIZCTEOSA-N -1 3 393.281 3.178 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3Cc4cccc(O)c4C3)s2)cs1 ZINC000428381820 566835960 /nfs/dbraw/zinc/83/59/60/566835960.db2.gz PZXPOUCWZZEIMJ-GFCCVEGCSA-N -1 3 392.527 3.331 20 0 GGADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)n1ccc(C(F)(F)F)n1 ZINC000631946623 566836018 /nfs/dbraw/zinc/83/60/18/566836018.db2.gz FXOHOBXMUQULMB-MRVPVSSYSA-N -1 3 392.175 3.247 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428382303 566836060 /nfs/dbraw/zinc/83/60/60/566836060.db2.gz RIHWRFDJCXTLDB-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c(C)o1 ZINC000428376557 566836651 /nfs/dbraw/zinc/83/66/51/566836651.db2.gz VPOMYHRFXCQKNR-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)ccc2Br)CCCC1 ZINC000517637047 566836748 /nfs/dbraw/zinc/83/67/48/566836748.db2.gz VFWUWQHBDGFAFS-UHFFFAOYSA-N -1 3 394.262 3.063 20 0 GGADHM O=S(=O)(C[C@@H]1CCC(F)(F)C1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000631975994 566838430 /nfs/dbraw/zinc/83/84/30/566838430.db2.gz RWBSNVAYQBCKKX-SNVBAGLBSA-N -1 3 391.827 3.245 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C1CCCCC1 ZINC000610510814 566838729 /nfs/dbraw/zinc/83/87/29/566838729.db2.gz IEYPACFFCNYEBY-GFCCVEGCSA-N -1 3 375.512 3.181 20 0 GGADHM O=S(=O)(C[C@@H]1CCC(F)(F)C1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000631975499 566838744 /nfs/dbraw/zinc/83/87/44/566838744.db2.gz KRKGZDHHAOHMGN-SNVBAGLBSA-N -1 3 391.827 3.245 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@H](CCO)c2ccccc2Br)c1 ZINC000542919446 566839209 /nfs/dbraw/zinc/83/92/09/566839209.db2.gz JMPZNDNVBVSLFJ-OAHLLOKOSA-N -1 3 380.238 3.017 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428404072 566839510 /nfs/dbraw/zinc/83/95/10/566839510.db2.gz VHMRBKBZPXQMIC-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428399534 566839603 /nfs/dbraw/zinc/83/96/03/566839603.db2.gz HZROVYBZPVRFHP-RNCFNFMXSA-N -1 3 382.707 3.196 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1 ZINC000582204584 566840327 /nfs/dbraw/zinc/84/03/27/566840327.db2.gz CFKSPPNUTAFYTB-HSZRJFAPSA-N -1 3 387.910 3.166 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000610550240 566841544 /nfs/dbraw/zinc/84/15/44/566841544.db2.gz HSUSGDNIQKFAQX-UXIGCNINSA-N -1 3 390.596 3.288 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000632018201 566841670 /nfs/dbraw/zinc/84/16/70/566841670.db2.gz VJWIWIQVAJKKOE-MRVPVSSYSA-N -1 3 378.388 3.407 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO[C@H]1C1CC1 ZINC000428414527 566841811 /nfs/dbraw/zinc/84/18/11/566841811.db2.gz VBCHAGCXGZNSSC-UONOGXRCSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)sc1Cl ZINC000428409474 566841878 /nfs/dbraw/zinc/84/18/78/566841878.db2.gz VSQXXKOYHCTGHE-XJKSGUPXSA-N -1 3 389.901 3.294 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(C)(C)O ZINC000428415568 566841925 /nfs/dbraw/zinc/84/19/25/566841925.db2.gz XIMOYVRKGZIPTE-LBPRGKRZSA-N -1 3 384.723 3.176 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO[C@@H]1C1CC1 ZINC000428414526 566841946 /nfs/dbraw/zinc/84/19/46/566841946.db2.gz VBCHAGCXGZNSSC-KGLIPLIRSA-N -1 3 394.718 3.338 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1NC(C)=O ZINC000679204949 566842123 /nfs/dbraw/zinc/84/21/23/566842123.db2.gz XXICKRGGDVHZMU-UHFFFAOYSA-N -1 3 390.248 3.156 20 0 GGADHM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1=O ZINC000490319943 566842453 /nfs/dbraw/zinc/84/24/53/566842453.db2.gz DMBQRVAWHRHAMQ-UHFFFAOYSA-N -1 3 397.283 3.324 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000428423736 566842812 /nfs/dbraw/zinc/84/28/12/566842812.db2.gz PWFWSSVASCPNSD-YOEHRIQHSA-N -1 3 387.835 3.063 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccc(Br)c(F)c2)o1 ZINC000451577398 566843174 /nfs/dbraw/zinc/84/31/74/566843174.db2.gz DPXDQULOGNYUQZ-UHFFFAOYSA-N -1 3 391.262 3.067 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428419958 566843202 /nfs/dbraw/zinc/84/32/02/566843202.db2.gz MZXSFMPHTHGHLE-UWVGGRQHSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)OCCc2sccc21 ZINC000451575133 566843253 /nfs/dbraw/zinc/84/32/53/566843253.db2.gz XCPXSSJAESZLKU-SWLSCSKDSA-N -1 3 379.494 3.281 20 0 GGADHM [O-]c1ccc(CNC[C@H](O)COc2ccccc2Cl)cc1Br ZINC000562997764 566843789 /nfs/dbraw/zinc/84/37/89/566843789.db2.gz WPCJZTWCQRTIOZ-LBPRGKRZSA-N -1 3 386.673 3.338 20 0 GGADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[N-]c1nn2cnnc2s1 ZINC000679268041 566844259 /nfs/dbraw/zinc/84/42/59/566844259.db2.gz XEGAIPIQBZSJME-UHFFFAOYSA-N -1 3 378.389 3.148 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccncc1CC ZINC000679292391 566845438 /nfs/dbraw/zinc/84/54/38/566845438.db2.gz JFNHEMPZLKKPJA-UHFFFAOYSA-N -1 3 399.310 3.284 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000470103397 566846223 /nfs/dbraw/zinc/84/62/23/566846223.db2.gz ZKBGVVQNBRAGTQ-AWEZNQCLSA-N -1 3 384.567 3.424 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cncc(C(F)(F)F)c1 ZINC000517782369 566846985 /nfs/dbraw/zinc/84/69/85/566846985.db2.gz ICOMAMCCMYWTMM-UHFFFAOYSA-N -1 3 375.144 3.499 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000451591987 566846889 /nfs/dbraw/zinc/84/68/89/566846889.db2.gz PLZYCOVWZWNSIO-CYBMUJFWSA-N -1 3 387.429 3.169 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1cc2cc(Cl)ccc2s1 ZINC000543069208 566848145 /nfs/dbraw/zinc/84/81/45/566848145.db2.gz LMTNWSMANQSNHQ-UHFFFAOYSA-N -1 3 397.787 3.435 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cnc(C)s2)c(F)cc1F ZINC000517806781 566848697 /nfs/dbraw/zinc/84/86/97/566848697.db2.gz HKZIVQBQZZBSEU-UHFFFAOYSA-N -1 3 375.422 3.134 20 0 GGADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000563055619 566849323 /nfs/dbraw/zinc/84/93/23/566849323.db2.gz IUGGPMIINCQILA-LLVKDONJSA-N -1 3 398.834 3.037 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]CCC(C)(F)F)cc1Cl ZINC000451615151 566850969 /nfs/dbraw/zinc/85/09/69/566850969.db2.gz UODRCRUNAWSDLZ-UHFFFAOYSA-N -1 3 392.649 3.435 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cscc1Br ZINC000632113096 566851539 /nfs/dbraw/zinc/85/15/39/566851539.db2.gz RCWHXNUQELOEHH-UHFFFAOYSA-N -1 3 379.326 3.323 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccccc2F)C1)c1ccc(C(F)(F)F)s1 ZINC000490451529 566851733 /nfs/dbraw/zinc/85/17/33/566851733.db2.gz VIRBPUNYXUUFEN-JTQLQIEISA-N -1 3 394.415 3.463 20 0 GGADHM COc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)c(Br)c1[O-] ZINC000655811829 566851833 /nfs/dbraw/zinc/85/18/33/566851833.db2.gz KILCHGQAEBQVTG-CQSZACIVSA-N -1 3 391.265 3.206 20 0 GGADHM O=c1cc(CS(=O)(=O)Cc2csc(C3CCCC3)n2)nc(C2CC2)[n-]1 ZINC000582347914 566852450 /nfs/dbraw/zinc/85/24/50/566852450.db2.gz ZEXMUKVLAMSAAL-UHFFFAOYSA-N -1 3 379.507 3.289 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1csnc1-c1ccccc1 ZINC000632122161 566853446 /nfs/dbraw/zinc/85/34/46/566853446.db2.gz NCTPVPLFMMUNRS-YOEHRIQHSA-N -1 3 396.559 3.143 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000490456793 566853543 /nfs/dbraw/zinc/85/35/43/566853543.db2.gz GGFMSBINOPKXGI-UHFFFAOYSA-N -1 3 396.357 3.007 20 0 GGADHM COC(=O)c1sc2[n-]c(CC(=O)c3ccc(Cl)s3)nc(=O)c2c1C ZINC000543115735 566853740 /nfs/dbraw/zinc/85/37/40/566853740.db2.gz KDRJFVOUCRSACJ-UHFFFAOYSA-N -1 3 382.850 3.220 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C2CC(C)(F)C2)cc1Cl ZINC000451632661 566854357 /nfs/dbraw/zinc/85/43/57/566854357.db2.gz OLOYAJVRJVCEBE-UHFFFAOYSA-N -1 3 386.670 3.280 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000490457226 566854220 /nfs/dbraw/zinc/85/42/20/566854220.db2.gz HRYWTTXYWHKVMU-UHFFFAOYSA-N -1 3 380.322 3.489 20 0 GGADHM CCOCn1nc(C)c(CC(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000632139746 566855264 /nfs/dbraw/zinc/85/52/64/566855264.db2.gz WSMYDRHNFNKNCF-UHFFFAOYSA-N -1 3 382.258 3.143 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)s1 ZINC000490464306 566855540 /nfs/dbraw/zinc/85/55/40/566855540.db2.gz JYHBFFUKWCAPDN-UHFFFAOYSA-N -1 3 380.322 3.489 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscc2Br)CCO1 ZINC000632161127 566856366 /nfs/dbraw/zinc/85/63/66/566856366.db2.gz RXFKQGFMQFMWPG-SKDRFNHKSA-N -1 3 382.345 3.383 20 0 GGADHM CCSc1cccc(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)c1 ZINC000490475296 566857178 /nfs/dbraw/zinc/85/71/78/566857178.db2.gz HQPLRBCUDBYSAN-UHFFFAOYSA-N -1 3 385.532 3.434 20 0 GGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000451656055 566857564 /nfs/dbraw/zinc/85/75/64/566857564.db2.gz SFNNEZJTHGHRMO-ZETCQYMHSA-N -1 3 396.250 3.146 20 0 GGADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscc2Br)CCO1 ZINC000632185677 566857575 /nfs/dbraw/zinc/85/75/75/566857575.db2.gz IFNOQWZBFUBBTJ-GHMZBOCLSA-N -1 3 382.345 3.383 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@@H]1OCCc2sccc21 ZINC000490505062 566858265 /nfs/dbraw/zinc/85/82/65/566858265.db2.gz JSVAIHFEFYYXTL-BZNIZROVSA-N -1 3 384.523 3.156 20 0 GGADHM C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000490490111 566858602 /nfs/dbraw/zinc/85/86/02/566858602.db2.gz DFIRLVZBSFBFSK-SECBINFHSA-N -1 3 388.276 3.251 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000679477786 566858628 /nfs/dbraw/zinc/85/86/28/566858628.db2.gz WCSYSWXKCNGILG-CYBMUJFWSA-N -1 3 392.315 3.085 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)OC ZINC000490502139 566858670 /nfs/dbraw/zinc/85/86/70/566858670.db2.gz FCANDQNNPWQBMI-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)C[C@H](C)c2ccccc2)sc1Br ZINC000451660612 566858804 /nfs/dbraw/zinc/85/88/04/566858804.db2.gz GGNFPZDHFBFURS-JTQLQIEISA-N -1 3 389.340 3.437 20 0 GGADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000543165829 566858862 /nfs/dbraw/zinc/85/88/62/566858862.db2.gz JZMKJYUPRUKMTG-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)sc1Br ZINC000451660613 566859407 /nfs/dbraw/zinc/85/94/07/566859407.db2.gz GGNFPZDHFBFURS-SNVBAGLBSA-N -1 3 389.340 3.437 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2c(C)cccc2C)sc1Br ZINC000451662910 566859439 /nfs/dbraw/zinc/85/94/39/566859439.db2.gz LMTDIASPEOPMQF-UHFFFAOYSA-N -1 3 389.340 3.450 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000543171291 566859847 /nfs/dbraw/zinc/85/98/47/566859847.db2.gz YGJHSNRAOWDREK-HNNXBMFYSA-N -1 3 378.416 3.435 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000490518321 566860031 /nfs/dbraw/zinc/86/00/31/566860031.db2.gz AAKHRHRNESPFFV-MGPLVRAMSA-N -1 3 387.910 3.391 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000490518320 566860287 /nfs/dbraw/zinc/86/02/87/566860287.db2.gz AAKHRHRNESPFFV-HWPZZCPQSA-N -1 3 387.910 3.391 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000543173304 566860267 /nfs/dbraw/zinc/86/02/67/566860267.db2.gz ZEQYDTHYPPSPAG-VIFPVBQESA-N -1 3 398.319 3.161 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)s1 ZINC000451671621 566860496 /nfs/dbraw/zinc/86/04/96/566860496.db2.gz MOWMXCYGWVYYDU-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2C)s1 ZINC000632194312 566860549 /nfs/dbraw/zinc/86/05/49/566860549.db2.gz LHDNHMFCROGMFX-UHFFFAOYSA-N -1 3 396.719 3.049 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1ccccn1 ZINC000451669082 566860781 /nfs/dbraw/zinc/86/07/81/566860781.db2.gz GSWUQOPEJWVHHO-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(F)cc2nn[n-]c21 ZINC000582437555 566860982 /nfs/dbraw/zinc/86/09/82/566860982.db2.gz UPBGAZHQYKPBPV-ZDUSSCGKSA-N -1 3 383.210 3.257 20 0 GGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(F)cc2[n-]nnc21 ZINC000582437555 566860990 /nfs/dbraw/zinc/86/09/90/566860990.db2.gz UPBGAZHQYKPBPV-ZDUSSCGKSA-N -1 3 383.210 3.257 20 0 GGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000582437555 566860995 /nfs/dbraw/zinc/86/09/95/566860995.db2.gz UPBGAZHQYKPBPV-ZDUSSCGKSA-N -1 3 383.210 3.257 20 0 GGADHM Clc1cc(Cl)cc(CN2CCC(N=c3ncnc4[nH][n-]cc3-4)CC2)c1 ZINC000543193465 566861121 /nfs/dbraw/zinc/86/11/21/566861121.db2.gz BWIDDBYBMSJTEK-UHFFFAOYSA-N -1 3 377.279 3.110 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H]1OCCc2sccc21 ZINC000490526682 566861465 /nfs/dbraw/zinc/86/14/65/566861465.db2.gz GVLBELBCXOZYQI-ANRSDYALSA-N -1 3 377.409 3.146 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)o1 ZINC000490522209 566861504 /nfs/dbraw/zinc/86/15/04/566861504.db2.gz SPAWNBWTZJAWDN-UHFFFAOYSA-N -1 3 380.800 3.279 20 0 GGADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cscc1Br ZINC000632201212 566861929 /nfs/dbraw/zinc/86/19/29/566861929.db2.gz LPSVWLJOVIDITN-JTQLQIEISA-N -1 3 394.312 3.030 20 0 GGADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cccc(Br)c1 ZINC000470264443 566862397 /nfs/dbraw/zinc/86/23/97/566862397.db2.gz UTSNTGJNBSKWCM-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)OC ZINC000451675907 566862446 /nfs/dbraw/zinc/86/24/46/566862446.db2.gz CZLZHBPAFQSHKM-WCQYABFASA-N -1 3 385.507 3.027 20 0 GGADHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000451686092 566862546 /nfs/dbraw/zinc/86/25/46/566862546.db2.gz NOXADRCSEWXPEP-ZDUSSCGKSA-N -1 3 375.918 3.206 20 0 GGADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)OC ZINC000451683532 566862572 /nfs/dbraw/zinc/86/25/72/566862572.db2.gz UVMCLDVVLTYTLU-ZENOOKHLSA-N -1 3 393.933 3.093 20 0 GGADHM Cc1sc2ncn(CCC(=O)Nc3cc(Cl)ccc3[O-])c(=O)c2c1C ZINC000518050425 566863803 /nfs/dbraw/zinc/86/38/03/566863803.db2.gz LCYBEQYHJZDQFF-UHFFFAOYSA-N -1 3 377.853 3.463 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000490553939 566864950 /nfs/dbraw/zinc/86/49/50/566864950.db2.gz DISUQAKKURHOBN-QFYYESIMSA-N -1 3 387.910 3.391 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCCC1)c1ccc(Cl)cc1Br ZINC000543229348 566865447 /nfs/dbraw/zinc/86/54/47/566865447.db2.gz AMXIYYPVBOMEDV-UHFFFAOYSA-N -1 3 396.734 3.466 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000543252171 566866434 /nfs/dbraw/zinc/86/64/34/566866434.db2.gz AUIDOZSPFAGQGT-CABCVRRESA-N -1 3 380.293 3.238 20 0 GGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000563226815 566866603 /nfs/dbraw/zinc/86/66/03/566866603.db2.gz XUKYMYIYKPCOCI-AWEZNQCLSA-N -1 3 388.917 3.133 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000543246969 566867098 /nfs/dbraw/zinc/86/70/98/566867098.db2.gz QVKBFKRUYAOVMQ-KGLIPLIRSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H]2c3cc(Br)ccc3CC2(C)C)cn1C ZINC000490590219 566868016 /nfs/dbraw/zinc/86/80/16/566868016.db2.gz FLAPDGDKQAIKEJ-OAHLLOKOSA-N -1 3 398.326 3.093 20 0 GGADHM CN(C)CCn1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cn1 ZINC000632267310 566868817 /nfs/dbraw/zinc/86/88/17/566868817.db2.gz BDCFSGGHDPCEDB-UHFFFAOYSA-N -1 3 377.659 3.363 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000518143308 566869035 /nfs/dbraw/zinc/86/90/35/566869035.db2.gz LTCXABSUMWFGAT-HAQNSBGRSA-N -1 3 393.336 3.357 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C2CCC(CSC)CC2)cc1OC ZINC000451717886 566869380 /nfs/dbraw/zinc/86/93/80/566869380.db2.gz ZRFVETWZHFQCSV-UHFFFAOYSA-N -1 3 377.503 3.043 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656101200 566870240 /nfs/dbraw/zinc/87/02/40/566870240.db2.gz VWTYIJADMZEEGS-KWCYVHTRSA-N -1 3 387.929 3.359 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000451727305 566870167 /nfs/dbraw/zinc/87/01/67/566870167.db2.gz AORZKHRYVZHTPX-CYBMUJFWSA-N -1 3 379.425 3.477 20 0 GGADHM Cc1ncc(CNC(=O)CCSc2ccc(Br)cc2)c(=O)[n-]1 ZINC000543317703 566870663 /nfs/dbraw/zinc/87/06/63/566870663.db2.gz XUCZGTZTQADMHZ-UHFFFAOYSA-N -1 3 382.283 3.052 20 0 GGADHM Cc1ncc(CNC(=O)c2ccc(Br)cc2C(F)(F)F)c(=O)[n-]1 ZINC000543315017 566870822 /nfs/dbraw/zinc/87/08/22/566870822.db2.gz DFHIMQIYRWAXCU-UHFFFAOYSA-N -1 3 390.159 3.202 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)c1 ZINC000679760200 566871325 /nfs/dbraw/zinc/87/13/25/566871325.db2.gz KMHPXFLMNHVJEW-SECBINFHSA-N -1 3 389.246 3.031 20 0 GGADHM CC(F)(F)CCS(=O)(=O)[N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000632297476 566871670 /nfs/dbraw/zinc/87/16/70/566871670.db2.gz DTWOIXLDXXSMGK-LLVKDONJSA-N -1 3 395.777 3.357 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccc(Br)cn1 ZINC000632293938 566872322 /nfs/dbraw/zinc/87/23/22/566872322.db2.gz DAJUUSNOEWWGRU-SSDOTTSWSA-N -1 3 381.198 3.414 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3nnc(C(C)(C)C)[nH]3)s2)cs1 ZINC000582535395 566872577 /nfs/dbraw/zinc/87/25/77/566872577.db2.gz XFRLMIWUHICTAH-UHFFFAOYSA-N -1 3 397.551 3.074 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc2n[n-]nc2c1 ZINC000543355833 566872595 /nfs/dbraw/zinc/87/25/95/566872595.db2.gz AYYBTXKPXHXCQX-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCC=C(C)C)cc1F ZINC000451737831 566873037 /nfs/dbraw/zinc/87/30/37/566873037.db2.gz GWYLELCXFNYFEU-CYBMUJFWSA-N -1 3 392.518 3.001 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2C)o1 ZINC000490649456 566874309 /nfs/dbraw/zinc/87/43/09/566874309.db2.gz WNACFMQKNHESFE-UHFFFAOYSA-N -1 3 387.299 3.485 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cscc2Br)n1 ZINC000632327931 566875183 /nfs/dbraw/zinc/87/51/83/566875183.db2.gz KZFSRZWUWGIGJE-UHFFFAOYSA-N -1 3 375.313 3.125 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cscc1Br ZINC000632333806 566875323 /nfs/dbraw/zinc/87/53/23/566875323.db2.gz JSSGWHUZCQISCV-UHFFFAOYSA-N -1 3 387.324 3.306 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1noc2c1CCCC2 ZINC000582569717 566876283 /nfs/dbraw/zinc/87/62/83/566876283.db2.gz ZKGMMQYGTWYXJD-UHFFFAOYSA-N -1 3 375.277 3.480 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCOC1 ZINC000543393921 566876634 /nfs/dbraw/zinc/87/66/34/566876634.db2.gz AXZGLRHWCMCMTH-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(Br)c2F)sc1C ZINC000543396313 566876721 /nfs/dbraw/zinc/87/67/21/566876721.db2.gz FWTSPJBHVREUSM-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cccc(Br)c1F ZINC000543397264 566877044 /nfs/dbraw/zinc/87/70/44/566877044.db2.gz DCAVARBKCJJARF-DIOULYMOSA-N -1 3 382.254 3.205 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)c2ccccc21 ZINC000543395496 566877172 /nfs/dbraw/zinc/87/71/72/566877172.db2.gz ZYMDNSFEIDFUCW-GFCCVEGCSA-N -1 3 384.226 3.194 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1ccc(Cl)cc1Br ZINC000543397096 566877590 /nfs/dbraw/zinc/87/75/90/566877590.db2.gz YJYDZBGTMGYAIM-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)no1 ZINC000490764889 566877592 /nfs/dbraw/zinc/87/75/92/566877592.db2.gz ZMIRJNQKSCYCRC-UHFFFAOYSA-N -1 3 383.779 3.264 20 0 GGADHM CCc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000490788066 566879119 /nfs/dbraw/zinc/87/91/19/566879119.db2.gz ASPFPEMIPKSEPT-UHFFFAOYSA-N -1 3 387.914 3.064 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnc2n1CCCC2 ZINC000451779558 566880134 /nfs/dbraw/zinc/88/01/34/566880134.db2.gz FQBSXKBISFFUTR-UHFFFAOYSA-N -1 3 389.308 3.135 20 0 GGADHM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000632394124 566880525 /nfs/dbraw/zinc/88/05/25/566880525.db2.gz JCNJRINWLKEOLB-SECBINFHSA-N -1 3 381.807 3.300 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000543415395 566880813 /nfs/dbraw/zinc/88/08/13/566880813.db2.gz SZINJRGGCKVOBH-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM CCC[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1)C(C)(C)C ZINC000451775973 566880935 /nfs/dbraw/zinc/88/09/35/566880935.db2.gz FZYAJNHQZZQQRI-HNNXBMFYSA-N -1 3 394.534 3.080 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000451791142 566882859 /nfs/dbraw/zinc/88/28/59/566882859.db2.gz XHUGUDQTFYXERD-UHFFFAOYSA-N -1 3 384.376 3.010 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2)ccc1F ZINC000582658018 566882772 /nfs/dbraw/zinc/88/27/72/566882772.db2.gz LTANJSFMRAGKSE-NSHDSACASA-N -1 3 384.860 3.205 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCCC(C)=O ZINC000632415285 566883634 /nfs/dbraw/zinc/88/36/34/566883634.db2.gz XYOHDZWWVNIVDL-UHFFFAOYSA-N -1 3 392.315 3.276 20 0 GGADHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000518449699 566883891 /nfs/dbraw/zinc/88/38/91/566883891.db2.gz OOJTZPMKFRMYIV-UHFFFAOYSA-N -1 3 381.325 3.229 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1ccccn1 ZINC000611017029 566883921 /nfs/dbraw/zinc/88/39/21/566883921.db2.gz DFOBKKXQSCCRKD-OAHLLOKOSA-N -1 3 382.869 3.341 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2ccc(C)cc21 ZINC000611017251 566884220 /nfs/dbraw/zinc/88/42/20/566884220.db2.gz XTTTVCNWRMHQGS-MRXNPFEDSA-N -1 3 379.865 3.401 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000611026422 566884350 /nfs/dbraw/zinc/88/43/50/566884350.db2.gz PARVDKPTPJOOQR-VIFPVBQESA-N -1 3 375.418 3.154 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(C)n[nH]c2C)c(Cl)c1Cl ZINC000632445458 566884449 /nfs/dbraw/zinc/88/44/49/566884449.db2.gz JNAUUNCATVWXTO-VIFPVBQESA-N -1 3 378.281 3.381 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2C ZINC000611017291 566884521 /nfs/dbraw/zinc/88/45/21/566884521.db2.gz FWSAQBKDJKORDK-INIZCTEOSA-N -1 3 379.865 3.401 20 0 GGADHM CCN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H](C)Cc1ccsc1 ZINC000428847517 566884793 /nfs/dbraw/zinc/88/47/93/566884793.db2.gz GDHPBESLSMUQJC-LBPRGKRZSA-N -1 3 384.498 3.352 20 0 GGADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490932979 566885376 /nfs/dbraw/zinc/88/53/76/566885376.db2.gz CTWIUFYCNFABQG-SSDOTTSWSA-N -1 3 380.178 3.156 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000451808299 566885407 /nfs/dbraw/zinc/88/54/07/566885407.db2.gz JHSVOJXKIPILCH-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1OC(F)F ZINC000490926883 566885823 /nfs/dbraw/zinc/88/58/23/566885823.db2.gz MSJNZEPPQNGSCI-IUCAKERBSA-N -1 3 376.190 3.492 20 0 GGADHM COC[C@H](C[N-]S(=O)(=O)c1sccc1OC)c1ccc(Cl)cc1 ZINC000451809400 566885894 /nfs/dbraw/zinc/88/58/94/566885894.db2.gz LXXCSTNNOSNSFJ-LBPRGKRZSA-N -1 3 375.899 3.119 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000490924312 566886162 /nfs/dbraw/zinc/88/61/62/566886162.db2.gz HBNKYYAELSZLLV-UWVGGRQHSA-N -1 3 376.190 3.492 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)n1 ZINC000632465178 566886244 /nfs/dbraw/zinc/88/62/44/566886244.db2.gz JTSCPCIRDGSTKQ-UWVGGRQHSA-N -1 3 387.552 3.004 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)n1 ZINC000632465179 566886454 /nfs/dbraw/zinc/88/64/54/566886454.db2.gz JTSCPCIRDGSTKQ-VHSXEESVSA-N -1 3 387.552 3.004 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490953919 566886366 /nfs/dbraw/zinc/88/63/66/566886366.db2.gz JDDSWUSLIKXNNL-SSDOTTSWSA-N -1 3 380.178 3.156 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451819323 566887041 /nfs/dbraw/zinc/88/70/41/566887041.db2.gz ABKPZAOIRKEMLA-SNVBAGLBSA-N -1 3 398.269 3.480 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCN(C)CC(F)(F)F ZINC000470603823 566887187 /nfs/dbraw/zinc/88/71/87/566887187.db2.gz WMOYNPDHALJEAJ-UHFFFAOYSA-N -1 3 384.807 3.167 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000563473983 566887510 /nfs/dbraw/zinc/88/75/10/566887510.db2.gz VGJOJBBBZXQYOH-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM Cn1[n-]c(=NC(=O)C(C)(C)c2ccc(Br)cc2)cc1OC(F)F ZINC000490956215 566888065 /nfs/dbraw/zinc/88/80/65/566888065.db2.gz RYHMDTMLGVNZLN-UHFFFAOYSA-N -1 3 388.212 3.122 20 0 GGADHM Cn1[n-]c(=NC(=O)c2ccc(Cl)c(Br)c2)cc1OC(F)F ZINC000490974454 566888084 /nfs/dbraw/zinc/88/80/84/566888084.db2.gz SUWYYDRUXFNOHJ-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2cc(Br)c(OC)cc2OC)c1 ZINC000490983094 566888228 /nfs/dbraw/zinc/88/82/28/566888228.db2.gz AFYOIZYJHKYPGU-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1OC(F)F ZINC000490956938 566888267 /nfs/dbraw/zinc/88/82/67/566888267.db2.gz UZAYARQWAZOKGF-MNOVXSKESA-N -1 3 376.190 3.492 20 0 GGADHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1sccc1Br ZINC000470614641 566888598 /nfs/dbraw/zinc/88/85/98/566888598.db2.gz VWQVFGWZJGARLN-TUAOUCFPSA-N -1 3 395.388 3.155 20 0 GGADHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1sccc1Br ZINC000470614640 566888654 /nfs/dbraw/zinc/88/86/54/566888654.db2.gz VWQVFGWZJGARLN-IJLUTSLNSA-N -1 3 395.388 3.155 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cc(Br)cc2c1OCC2 ZINC000451824833 566888842 /nfs/dbraw/zinc/88/88/42/566888842.db2.gz PPEPYKZOCXBAQE-SNVBAGLBSA-N -1 3 396.253 3.098 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1nc(C(F)(F)F)no1 ZINC000632479690 566888893 /nfs/dbraw/zinc/88/88/93/566888893.db2.gz JJCLQFAPQWOQBC-JECWYVHBSA-N -1 3 395.325 3.190 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000632479148 566888906 /nfs/dbraw/zinc/88/89/06/566888906.db2.gz AJYVCUVRRLJFMO-SSDOTTSWSA-N -1 3 385.314 3.207 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c(C)o1 ZINC000611105074 566889092 /nfs/dbraw/zinc/88/90/92/566889092.db2.gz GUVNVQIRTIOVDK-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)CC(C)C ZINC000470618026 566889288 /nfs/dbraw/zinc/88/92/88/566889288.db2.gz JDCXKDSISDKUCZ-AWEZNQCLSA-N -1 3 382.309 3.043 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451823153 566889903 /nfs/dbraw/zinc/88/99/03/566889903.db2.gz MHHMPWYACZPFIQ-SNVBAGLBSA-N -1 3 397.285 3.229 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)F)no1)c1ccc(Cl)cc1C(F)(F)F ZINC000632481045 566889870 /nfs/dbraw/zinc/88/98/70/566889870.db2.gz CRUPYRVNQLXREN-UHFFFAOYSA-N -1 3 391.705 3.158 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000680092123 566891869 /nfs/dbraw/zinc/89/18/69/566891869.db2.gz ASWRZWVPWHAELS-GFCCVEGCSA-N -1 3 394.356 3.412 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1ccc(Cl)cc1F ZINC000543620521 566893164 /nfs/dbraw/zinc/89/31/64/566893164.db2.gz UQZKVGVJSYZYTJ-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)sc1Br ZINC000563533119 566893567 /nfs/dbraw/zinc/89/35/67/566893567.db2.gz YFNLWNKWLQDVEF-LBPRGKRZSA-N -1 3 388.308 3.369 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C2CC2)s1 ZINC000680108578 566893597 /nfs/dbraw/zinc/89/35/97/566893597.db2.gz ARUFZSISBCXGPU-AAEUAGOBSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)sc1Br ZINC000563533118 566893686 /nfs/dbraw/zinc/89/36/86/566893686.db2.gz YFNLWNKWLQDVEF-GFCCVEGCSA-N -1 3 388.308 3.369 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)c(Cl)c1Cl ZINC000680109125 566893879 /nfs/dbraw/zinc/89/38/79/566893879.db2.gz UKHKUMTZXUJNKB-CABCVRRESA-N -1 3 380.293 3.238 20 0 GGADHM CC(C)n1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000632529736 566894038 /nfs/dbraw/zinc/89/40/38/566894038.db2.gz WRYFEARHUDVOBK-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM COc1ccc(CN2CCOc3cc(O)ccc3C2)c(Br)c1[O-] ZINC000518619167 566895103 /nfs/dbraw/zinc/89/51/03/566895103.db2.gz JAYIEFPZZNDJGO-UHFFFAOYSA-N -1 3 380.238 3.264 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)cc1F ZINC000518621044 566895216 /nfs/dbraw/zinc/89/52/16/566895216.db2.gz YYTFXXXRAIITPZ-HNNXBMFYSA-N -1 3 375.462 3.373 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1Cl ZINC000451857023 566895843 /nfs/dbraw/zinc/89/58/43/566895843.db2.gz QFPKNWCQXDGACE-ZBEGNZNMSA-N -1 3 394.320 3.077 20 0 GGADHM O=S(=O)([N-][C@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000451867612 566896750 /nfs/dbraw/zinc/89/67/50/566896750.db2.gz ZFEPDTYDDYNSOA-DOMZBBRYSA-N -1 3 397.846 3.434 20 0 GGADHM Cc1cnc(OC2CCN(Cc3cc([O-])ccc3Br)CC2)nc1 ZINC000656271459 566897328 /nfs/dbraw/zinc/89/73/28/566897328.db2.gz SSUYGASTCCIMLX-UHFFFAOYSA-N -1 3 378.270 3.297 20 0 GGADHM Cc1nccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)n1 ZINC000491239440 566898332 /nfs/dbraw/zinc/89/83/32/566898332.db2.gz ZUKHSAVZYBNKHL-UHFFFAOYSA-N -1 3 381.885 3.096 20 0 GGADHM COc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000491261789 566900949 /nfs/dbraw/zinc/90/09/49/566900949.db2.gz ZWWMEYNNQJPSMI-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000543688494 566901355 /nfs/dbraw/zinc/90/13/55/566901355.db2.gz ZNGGYZVZWYCWMX-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000470759814 566901942 /nfs/dbraw/zinc/90/19/42/566901942.db2.gz KIINYQNBRIEBEM-VIFPVBQESA-N -1 3 387.807 3.225 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cnc(C)s2)cc1Cl ZINC000632651772 566902426 /nfs/dbraw/zinc/90/24/26/566902426.db2.gz ZCBXCIJYTSSGIV-ZETCQYMHSA-N -1 3 391.877 3.242 20 0 GGADHM Cc1cc(C2CCN(c3nc4[nH][n-]cc-4c(=N)n3)CC2)ccc1Br ZINC000491331843 566902597 /nfs/dbraw/zinc/90/25/97/566902597.db2.gz FDBSEGAOWVCWIN-UHFFFAOYSA-N -1 3 387.285 3.172 20 0 GGADHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000632651738 566902719 /nfs/dbraw/zinc/90/27/19/566902719.db2.gz YTVLUNZGAXQLBL-SSDOTTSWSA-N -1 3 379.276 3.393 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc3cc(Cl)ccc3s2)cc1 ZINC000518788604 566902925 /nfs/dbraw/zinc/90/29/25/566902925.db2.gz QTJHTBHPEQAQEK-UHFFFAOYSA-N -1 3 395.893 3.251 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000680361909 566903828 /nfs/dbraw/zinc/90/38/28/566903828.db2.gz IZMXTAOARXROKT-UHFFFAOYSA-N -1 3 395.893 3.106 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](O)CNCc1cccc([O-])c1Br ZINC000656489711 566904806 /nfs/dbraw/zinc/90/48/06/566904806.db2.gz MEKLTERHNJDQGS-HNNXBMFYSA-N -1 3 380.282 3.301 20 0 GGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cn1 ZINC000563661054 566905846 /nfs/dbraw/zinc/90/58/46/566905846.db2.gz FCAYMTNPFNLZKB-UHFFFAOYSA-N -1 3 390.690 3.364 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1cncc(Br)c1 ZINC000518849156 566906280 /nfs/dbraw/zinc/90/62/80/566906280.db2.gz YEZXOLIPQCHBEX-CYBMUJFWSA-N -1 3 381.295 3.243 20 0 GGADHM COc1cnc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(Br)c1 ZINC000582928382 566906950 /nfs/dbraw/zinc/90/69/50/566906950.db2.gz KFDASZCXBWBIDE-UHFFFAOYSA-N -1 3 393.209 3.073 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc2cc[nH]c21 ZINC000582936955 566907210 /nfs/dbraw/zinc/90/72/10/566907210.db2.gz VNAAUTFDLCCILL-UHFFFAOYSA-N -1 3 398.271 3.392 20 0 GGADHM O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(O)cc1[O-] ZINC000543748160 566907663 /nfs/dbraw/zinc/90/76/63/566907663.db2.gz IRUPSICUCYNBNT-UHFFFAOYSA-N -1 3 375.734 3.007 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000582956636 566908753 /nfs/dbraw/zinc/90/87/53/566908753.db2.gz CMIDJIXRCBFDNR-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491571396 566910154 /nfs/dbraw/zinc/91/01/54/566910154.db2.gz CXFCRSGSTPXWBU-UHFFFAOYSA-N -1 3 389.901 3.139 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000563716010 566911017 /nfs/dbraw/zinc/91/10/17/566911017.db2.gz NNMJTDXEVFVKDE-KGLIPLIRSA-N -1 3 378.519 3.167 20 0 GGADHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491589764 566911264 /nfs/dbraw/zinc/91/12/64/566911264.db2.gz UDTPTMMOLXXCPW-HNNXBMFYSA-N -1 3 375.918 3.204 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H](C)c2nccs2)no1 ZINC000518962868 566911808 /nfs/dbraw/zinc/91/18/08/566911808.db2.gz MYZAKHUAPCQCLD-VHSXEESVSA-N -1 3 398.897 3.371 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)sc1Br ZINC000582987910 566912088 /nfs/dbraw/zinc/91/20/88/566912088.db2.gz UDADDNYFMMSEKC-UHFFFAOYSA-N -1 3 391.312 3.164 20 0 GGADHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491598636 566912368 /nfs/dbraw/zinc/91/23/68/566912368.db2.gz ITIZMFVBPJSEIZ-UHFFFAOYSA-N -1 3 375.918 3.348 20 0 GGADHM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cccc([O-])c2Br)C1 ZINC000656533633 566912754 /nfs/dbraw/zinc/91/27/54/566912754.db2.gz MMHRAGKUTJGZTB-HNNXBMFYSA-N -1 3 375.266 3.222 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000470885950 566912931 /nfs/dbraw/zinc/91/29/31/566912931.db2.gz JRISTPOMHOWBHL-OAHLLOKOSA-N -1 3 384.567 3.378 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC)CSC ZINC000611376358 566913031 /nfs/dbraw/zinc/91/30/31/566913031.db2.gz NAOIXOUFIHJSIH-NSHDSACASA-N -1 3 382.345 3.268 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1CO)c1cc(Cl)ccc1OCCC1CC1 ZINC000491607025 566912956 /nfs/dbraw/zinc/91/29/56/566912956.db2.gz KVKQELPYDZECIE-GDBMZVCRSA-N -1 3 387.929 3.348 20 0 GGADHM O=S(=O)([N-][C@@H]1COCc2ccccc21)c1ccc(C(F)(F)F)cc1F ZINC000583013562 566913012 /nfs/dbraw/zinc/91/30/12/566913012.db2.gz PLHCYPUSLBSQPW-CQSZACIVSA-N -1 3 375.343 3.394 20 0 GGADHM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491611163 566913313 /nfs/dbraw/zinc/91/33/13/566913313.db2.gz XTOHTUQXMGSQRZ-QZTJIDSGSA-N -1 3 387.929 3.348 20 0 GGADHM Cn1nccc1S(=O)(=O)[N-][C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000680502176 566913708 /nfs/dbraw/zinc/91/37/08/566913708.db2.gz NFHPXKZFDTVSKC-AWEZNQCLSA-N -1 3 375.416 3.300 20 0 GGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cc(Br)cc2c1OCC2 ZINC000680503305 566914193 /nfs/dbraw/zinc/91/41/93/566914193.db2.gz HRUXBEJRYJYCAU-ZDUSSCGKSA-N -1 3 394.290 3.002 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C1C[C@@H](C)C[C@H](C)C1 ZINC000563764692 566914845 /nfs/dbraw/zinc/91/48/45/566914845.db2.gz ANOUQZXQXGMHJT-QWRGUYRKSA-N -1 3 388.917 3.410 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CCc2ccccc2CC1 ZINC000451955570 566915303 /nfs/dbraw/zinc/91/53/03/566915303.db2.gz PTHNAVIQIIOCSA-UHFFFAOYSA-N -1 3 379.503 3.069 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(COC3CCOCC3)cc2)c1 ZINC000563784456 566916549 /nfs/dbraw/zinc/91/65/49/566916549.db2.gz GZXKUPVMSLVEOB-UHFFFAOYSA-N -1 3 381.519 3.231 20 0 GGADHM Cn1nc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000680541399 566916748 /nfs/dbraw/zinc/91/67/48/566916748.db2.gz YRXAFDSMUNSIDE-UHFFFAOYSA-N -1 3 384.288 3.500 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000451994406 566919383 /nfs/dbraw/zinc/91/93/83/566919383.db2.gz VPVKLDWXKYAPOO-GHMZBOCLSA-N -1 3 384.910 3.046 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)nc2cc(Cl)ccc21 ZINC000491890137 566919401 /nfs/dbraw/zinc/91/94/01/566919401.db2.gz KBPURWUTXBQDIE-UHFFFAOYSA-N -1 3 389.786 3.123 20 0 GGADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000563818745 566919981 /nfs/dbraw/zinc/91/99/81/566919981.db2.gz IFRORTGXZXTFQR-ZDUSSCGKSA-N -1 3 389.171 3.361 20 0 GGADHM COC(=O)Cc1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1C ZINC000543866710 566920103 /nfs/dbraw/zinc/92/01/03/566920103.db2.gz XMEGBJUKKRQTIK-UHFFFAOYSA-N -1 3 387.233 3.377 20 0 GGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000519092464 566920122 /nfs/dbraw/zinc/92/01/22/566920122.db2.gz LENBYXVYEADUKV-CABCVRRESA-N -1 3 380.535 3.242 20 0 GGADHM Cn1c(C(=O)N=c2[nH][n-]cc2Br)cc2cc(C(F)(F)F)ccc21 ZINC000583099270 566920732 /nfs/dbraw/zinc/92/07/32/566920732.db2.gz DSYPRYFUUNJGRT-UHFFFAOYSA-N -1 3 387.159 3.357 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1 ZINC000519113528 566921328 /nfs/dbraw/zinc/92/13/28/566921328.db2.gz FQZVYQRLBOPWFO-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000491956167 566921430 /nfs/dbraw/zinc/92/14/30/566921430.db2.gz MDIDNSQUIJSQLY-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO ZINC000583111652 566922355 /nfs/dbraw/zinc/92/23/55/566922355.db2.gz GVCSAILHQCSQEH-OAHLLOKOSA-N -1 3 389.926 3.448 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](c2cccnc2)C1 ZINC000519147657 566923988 /nfs/dbraw/zinc/92/39/88/566923988.db2.gz SQSWKSVLHNEVBV-AWEZNQCLSA-N -1 3 376.254 3.249 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000519151035 566924171 /nfs/dbraw/zinc/92/41/71/566924171.db2.gz ZLLYKBVUFQBZDD-INIZCTEOSA-N -1 3 383.466 3.494 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)CO)c1 ZINC000429328689 566924134 /nfs/dbraw/zinc/92/41/34/566924134.db2.gz DWSKDSAQIOOGAR-KRWDZBQOSA-N -1 3 383.897 3.387 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)c1 ZINC000656620472 566924364 /nfs/dbraw/zinc/92/43/64/566924364.db2.gz DOTSVIDRUCNHPB-OAHLLOKOSA-N -1 3 392.315 3.405 20 0 GGADHM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(F)cc1I ZINC000471061718 566924234 /nfs/dbraw/zinc/92/42/34/566924234.db2.gz LCIMJPZICSYGKA-UHFFFAOYSA-N -1 3 378.116 3.427 20 0 GGADHM CCCC(=O)NC1CCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000680650634 566924415 /nfs/dbraw/zinc/92/44/15/566924415.db2.gz NUGIYTBSTWMGJT-UHFFFAOYSA-N -1 3 385.302 3.044 20 0 GGADHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000452030791 566924552 /nfs/dbraw/zinc/92/45/52/566924552.db2.gz IICOZRSTTUQSHJ-UHFFFAOYSA-N -1 3 384.723 3.178 20 0 GGADHM COc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)c(Br)c1[O-] ZINC000680649694 566924736 /nfs/dbraw/zinc/92/47/36/566924736.db2.gz GEJVFENBSJYYAR-ZDUSSCGKSA-N -1 3 380.286 3.406 20 0 GGADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)C[C@@H](C)O1 ZINC000519187082 566925507 /nfs/dbraw/zinc/92/55/07/566925507.db2.gz LFLZCDVRSAEXHA-GHMZBOCLSA-N -1 3 394.306 3.460 20 0 GGADHM CCOc1c(Cl)cc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)cc1Cl ZINC000656628050 566925889 /nfs/dbraw/zinc/92/58/89/566925889.db2.gz JEVUQFIZQFPILI-IINYFYTJSA-N -1 3 398.308 3.185 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000519187084 566925933 /nfs/dbraw/zinc/92/59/33/566925933.db2.gz LFLZCDVRSAEXHA-ZSBIGDGJSA-N -1 3 394.306 3.460 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000452042818 566925955 /nfs/dbraw/zinc/92/59/55/566925955.db2.gz FYJQSFPAPWXVLE-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM CCOc1c(Cl)cc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)cc1Cl ZINC000656628049 566926349 /nfs/dbraw/zinc/92/63/49/566926349.db2.gz JEVUQFIZQFPILI-HZMBPMFUSA-N -1 3 398.308 3.185 20 0 GGADHM O=S(=O)([N-]CCc1nc(C2CCC2)no1)c1c(Cl)cccc1Cl ZINC000680691538 566926312 /nfs/dbraw/zinc/92/63/12/566926312.db2.gz IXNLHALYANEHPB-UHFFFAOYSA-N -1 3 376.265 3.165 20 0 GGADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1cncc([O-])c1 ZINC000563905470 566926703 /nfs/dbraw/zinc/92/67/03/566926703.db2.gz KRBKVYHNUAILME-UHFFFAOYSA-N -1 3 382.247 3.124 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000563919730 566927494 /nfs/dbraw/zinc/92/74/94/566927494.db2.gz CGMDPVMYTHGACS-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)c(C2CC2)cc1Cl ZINC000656631220 566927611 /nfs/dbraw/zinc/92/76/11/566927611.db2.gz HZJIOSGSBKROJT-YVEFUNNKSA-N -1 3 389.901 3.019 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC[C@@H]3CCCO3)nc(=O)c2c1C ZINC000492195761 566927635 /nfs/dbraw/zinc/92/76/35/566927635.db2.gz XDBQAVZXEJSVKY-MNOVXSKESA-N -1 3 382.507 3.443 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(C)(C)C ZINC000543998288 566928093 /nfs/dbraw/zinc/92/80/93/566928093.db2.gz JRWMLZSSKDHUJQ-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC[C@H]3CCCO3)nc(=O)c2c1C ZINC000492195763 566928203 /nfs/dbraw/zinc/92/82/03/566928203.db2.gz XDBQAVZXEJSVKY-WDEREUQCSA-N -1 3 382.507 3.443 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000452053926 566928330 /nfs/dbraw/zinc/92/83/30/566928330.db2.gz PWEQHUIJKYWTPQ-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCCC1 ZINC000452052067 566928404 /nfs/dbraw/zinc/92/84/04/566928404.db2.gz LNVQRUALFYADQJ-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM O=S(=O)([N-]CCCOCC1CC1)c1ccc(Cl)cc1Br ZINC000544003017 566928444 /nfs/dbraw/zinc/92/84/44/566928444.db2.gz ULZWLSFCFOYCOQ-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1cccc(Br)c1F ZINC000544000261 566928473 /nfs/dbraw/zinc/92/84/73/566928473.db2.gz HYAFGBDGZYCZSQ-UHFFFAOYSA-N -1 3 388.258 3.083 20 0 GGADHM O=C(Nc1ccccc1[N-]S(=O)(=O)CCc1cccs1)N1CCCC1 ZINC000519244041 566929103 /nfs/dbraw/zinc/92/91/03/566929103.db2.gz UCYKHHOLBUMDOU-UHFFFAOYSA-N -1 3 379.507 3.360 20 0 GGADHM O=C(Cc1ccc([O-])c(Cl)c1)N(CCn1ccnc1)C1CCSCC1 ZINC000632998042 566929290 /nfs/dbraw/zinc/92/92/90/566929290.db2.gz BERIZIKIQIGGTF-UHFFFAOYSA-N -1 3 379.913 3.209 20 0 GGADHM CC(C)Oc1ccc(Cl)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000519246307 566929451 /nfs/dbraw/zinc/92/94/51/566929451.db2.gz NMJJEUMYBVURMG-UHFFFAOYSA-N -1 3 383.857 3.146 20 0 GGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000452073716 566929897 /nfs/dbraw/zinc/92/98/97/566929897.db2.gz ZIAWWRZVRSTVGY-CHWSQXEVSA-N -1 3 380.279 3.214 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCC(C)(C)C2CC2)c1OC ZINC000583219294 566930416 /nfs/dbraw/zinc/93/04/16/566930416.db2.gz WSHSZCXKYPNMLQ-UHFFFAOYSA-N -1 3 389.901 3.240 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)nc2cc(Cl)ccc21 ZINC000492289444 566930471 /nfs/dbraw/zinc/93/04/71/566930471.db2.gz FINQXFOFQKGWFX-UHFFFAOYSA-N -1 3 389.786 3.123 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)n1 ZINC000544032412 566931817 /nfs/dbraw/zinc/93/18/17/566931817.db2.gz RTOQMDSRWDNGLX-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c(F)c1 ZINC000452075504 566932023 /nfs/dbraw/zinc/93/20/23/566932023.db2.gz CANCDMRZJSXASX-INIZCTEOSA-N -1 3 385.482 3.078 20 0 GGADHM COc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c(Br)c1 ZINC000680817166 566934617 /nfs/dbraw/zinc/93/46/17/566934617.db2.gz QSFZEHQLBCRFBU-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM COC1CCN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000519376454 566936069 /nfs/dbraw/zinc/93/60/69/566936069.db2.gz PZFOAICDXFYGJG-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)c1 ZINC000611768742 566936989 /nfs/dbraw/zinc/93/69/89/566936989.db2.gz UXUVCOJFZBOJKT-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2Cn2cncn2)c(Cl)c1 ZINC000680854951 566937018 /nfs/dbraw/zinc/93/70/18/566937018.db2.gz FULGOOVLQQCKSQ-UHFFFAOYSA-N -1 3 376.869 3.397 20 0 GGADHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c(Cl)c1 ZINC000680856079 566937040 /nfs/dbraw/zinc/93/70/40/566937040.db2.gz VOEHSAMKALEFRP-UHFFFAOYSA-N -1 3 387.910 3.470 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000544099919 566937098 /nfs/dbraw/zinc/93/70/98/566937098.db2.gz KLKDPFSVGDWNIY-GHMZBOCLSA-N -1 3 382.309 3.486 20 0 GGADHM CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2cc([O-])ccc2Br)C1 ZINC000492790642 566937159 /nfs/dbraw/zinc/93/71/59/566937159.db2.gz CQNBCEBWCNVICU-SMDDNHRTSA-N -1 3 395.219 3.186 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](COC)c2cccc(C(F)(F)F)c2)s1 ZINC000680858138 566938538 /nfs/dbraw/zinc/93/85/38/566938538.db2.gz PJYVQYCJBHXJPT-GFCCVEGCSA-N -1 3 394.440 3.390 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000680858953 566938579 /nfs/dbraw/zinc/93/85/79/566938579.db2.gz NRVZFIRJAPCUIO-LBPRGKRZSA-N -1 3 385.942 3.164 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000544105095 566938962 /nfs/dbraw/zinc/93/89/62/566938962.db2.gz OFRHFDUBBMZLRA-GHMZBOCLSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)N1CCCCC1=O ZINC000519428813 566939276 /nfs/dbraw/zinc/93/92/76/566939276.db2.gz QCYSYCANWDONAX-ZDUSSCGKSA-N -1 3 380.897 3.173 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ncc(C)cc1Br)C1CCCC1 ZINC000656730322 566939270 /nfs/dbraw/zinc/93/92/70/566939270.db2.gz GWCMTDPWCXXPBU-CYBMUJFWSA-N -1 3 377.304 3.099 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)sc1Br ZINC000544104696 566939384 /nfs/dbraw/zinc/93/93/84/566939384.db2.gz KQMOSGHBGGOYQY-WDEREUQCSA-N -1 3 382.345 3.303 20 0 GGADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000452127447 566939369 /nfs/dbraw/zinc/93/93/69/566939369.db2.gz SIEJJZVIBLIVOA-PGUXBMHVSA-N -1 3 385.277 3.096 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C)cc2F)c(Cl)c1OC ZINC000519430834 566939756 /nfs/dbraw/zinc/93/97/56/566939756.db2.gz GHBJBIWGSRXUSN-UHFFFAOYSA-N -1 3 387.860 3.326 20 0 GGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656731840 566940348 /nfs/dbraw/zinc/94/03/48/566940348.db2.gz OBPOBJAVHICXNJ-UHFFFAOYSA-N -1 3 398.204 3.499 20 0 GGADHM C[C@H]1C[C@H]1N1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000452127450 566941608 /nfs/dbraw/zinc/94/16/08/566941608.db2.gz SIEJJZVIBLIVOA-ZIBATOQPSA-N -1 3 385.277 3.096 20 0 GGADHM Cc1ncsc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000492937720 566941821 /nfs/dbraw/zinc/94/18/21/566941821.db2.gz TZAKEIBDYPWCSG-UHFFFAOYSA-N -1 3 378.255 3.106 20 0 GGADHM Cc1[nH]nc([N-]S(=O)(=O)CCc2ccccc2Cl)c1Br ZINC000656734429 566942350 /nfs/dbraw/zinc/94/23/50/566942350.db2.gz FANHIRNCDJSMDO-UHFFFAOYSA-N -1 3 378.679 3.118 20 0 GGADHM COc1cc(NCc2cc([O-])cc(C(F)(F)F)c2)cc(S(C)(=O)=O)c1 ZINC000519483271 566942646 /nfs/dbraw/zinc/94/26/46/566942646.db2.gz XTNZRECJDLEPRS-UHFFFAOYSA-N -1 3 375.368 3.435 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)N(C)CC)c1)C(F)(F)F ZINC000564082977 566943548 /nfs/dbraw/zinc/94/35/48/566943548.db2.gz IAFRTKBLOHXFSR-RISCZKNCSA-N -1 3 380.432 3.034 20 0 GGADHM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000471287107 566943559 /nfs/dbraw/zinc/94/35/59/566943559.db2.gz HSBGVOLVVFDKAV-BDAKNGLRSA-N -1 3 382.251 3.009 20 0 GGADHM Cn1cc(Br)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000564084802 566943631 /nfs/dbraw/zinc/94/36/31/566943631.db2.gz NPLTVCAVBNHRHK-UHFFFAOYSA-N -1 3 398.204 3.143 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)N(C)CC)c1)C(F)(F)F ZINC000564082973 566943836 /nfs/dbraw/zinc/94/38/36/566943836.db2.gz IAFRTKBLOHXFSR-BXUZGUMPSA-N -1 3 380.432 3.034 20 0 GGADHM Cc1nccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1Cl ZINC000680952435 566944038 /nfs/dbraw/zinc/94/40/38/566944038.db2.gz UFHGFNSGLUTNNL-UHFFFAOYSA-N -1 3 381.885 3.251 20 0 GGADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1nnc(SC)[n-]1 ZINC000429646695 566944201 /nfs/dbraw/zinc/94/42/01/566944201.db2.gz AMTQOIMGQZWWAT-UHFFFAOYSA-N -1 3 377.651 3.203 20 0 GGADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1nc(SC)n[n-]1 ZINC000429646695 566944203 /nfs/dbraw/zinc/94/42/03/566944203.db2.gz AMTQOIMGQZWWAT-UHFFFAOYSA-N -1 3 377.651 3.203 20 0 GGADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1n[n-]c(SC)n1 ZINC000429646695 566944206 /nfs/dbraw/zinc/94/42/06/566944206.db2.gz AMTQOIMGQZWWAT-UHFFFAOYSA-N -1 3 377.651 3.203 20 0 GGADHM CCN(C(C)=O)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cn1 ZINC000656739808 566944368 /nfs/dbraw/zinc/94/43/68/566944368.db2.gz YTJVCHPCYIJRBN-UHFFFAOYSA-N -1 3 385.848 3.189 20 0 GGADHM O=C(N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)NCCN1CCCCC1 ZINC000471301085 566944434 /nfs/dbraw/zinc/94/44/34/566944434.db2.gz NTJSDNYDZHHDSL-UHFFFAOYSA-N -1 3 383.880 3.027 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429850961 566958064 /nfs/dbraw/zinc/95/80/64/566958064.db2.gz XVZPEAJYAOFVIX-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000564094093 566944919 /nfs/dbraw/zinc/94/49/19/566944919.db2.gz HGKPHENLINKWKR-CYBMUJFWSA-N -1 3 378.416 3.290 20 0 GGADHM CCC(CC)N(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000564090941 566945331 /nfs/dbraw/zinc/94/53/31/566945331.db2.gz ZRVIHSOPUVMZNB-UHFFFAOYSA-N -1 3 394.534 3.175 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429847835 566958080 /nfs/dbraw/zinc/95/80/80/566958080.db2.gz PDCTYNCMRMEQRL-GXSJLCMTSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C ZINC000493210395 566946084 /nfs/dbraw/zinc/94/60/84/566946084.db2.gz LTTGJACAPKMLGF-QMMMGPOBSA-N -1 3 398.706 3.111 20 0 GGADHM CCNc1nc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cs1 ZINC000429716801 566946085 /nfs/dbraw/zinc/94/60/85/566946085.db2.gz KYYNXBIANVVBAD-UHFFFAOYSA-N -1 3 379.898 3.345 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cs1 ZINC000429716801 566946093 /nfs/dbraw/zinc/94/60/93/566946093.db2.gz KYYNXBIANVVBAD-UHFFFAOYSA-N -1 3 379.898 3.345 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000519554644 566946328 /nfs/dbraw/zinc/94/63/28/566946328.db2.gz QNVOFPIHTJBHFQ-LDYMZIIASA-N -1 3 390.230 3.024 20 0 GGADHM CSc1nnc(NC(=O)CCCC(=O)c2ccc(Br)cc2)[n-]1 ZINC000493388448 566946840 /nfs/dbraw/zinc/94/68/40/566946840.db2.gz SYQRTSWEAAMFDO-UHFFFAOYSA-N -1 3 383.271 3.281 20 0 GGADHM CSc1n[n-]c(NC(=O)CCCC(=O)c2ccc(Br)cc2)n1 ZINC000493388448 566946845 /nfs/dbraw/zinc/94/68/45/566946845.db2.gz SYQRTSWEAAMFDO-UHFFFAOYSA-N -1 3 383.271 3.281 20 0 GGADHM CSc1nc(NC(=O)CCCC(=O)c2ccc(Br)cc2)n[n-]1 ZINC000493388448 566946852 /nfs/dbraw/zinc/94/68/52/566946852.db2.gz SYQRTSWEAAMFDO-UHFFFAOYSA-N -1 3 383.271 3.281 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@H](C)N2CCCCC2)s1 ZINC000544188276 566947356 /nfs/dbraw/zinc/94/73/56/566947356.db2.gz WEAISUWUEFSKFR-NSHDSACASA-N -1 3 395.388 3.362 20 0 GGADHM O=S(=O)([N-]CCN1CCCCCC1)c1cccc(Cl)c1Br ZINC000493573205 566950277 /nfs/dbraw/zinc/95/02/77/566950277.db2.gz OASALDHTMMVUFQ-UHFFFAOYSA-N -1 3 395.750 3.257 20 0 GGADHM Cc1ncc(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)c(=O)[n-]1 ZINC000544263882 566950378 /nfs/dbraw/zinc/95/03/78/566950378.db2.gz MYLCSHVFNAMFNM-SECBINFHSA-N -1 3 382.283 3.050 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000471388020 566950400 /nfs/dbraw/zinc/95/04/00/566950400.db2.gz MSCIDVISDWGLGG-LLVKDONJSA-N -1 3 381.259 3.176 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c2nccn21 ZINC000583422616 566950532 /nfs/dbraw/zinc/95/05/32/566950532.db2.gz NVESAXPAYXWHBS-GZMMTYOYSA-N -1 3 390.690 3.283 20 0 GGADHM Cc1ncc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c(=O)[n-]1 ZINC000544261491 566950524 /nfs/dbraw/zinc/95/05/24/566950524.db2.gz PZYDUXLMFQHUBZ-UHFFFAOYSA-N -1 3 395.644 3.318 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000493577912 566950626 /nfs/dbraw/zinc/95/06/26/566950626.db2.gz YLJJQBISWHHECK-NSHDSACASA-N -1 3 395.750 3.113 20 0 GGADHM CC(C)c1ccnc(N2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000681084055 566950900 /nfs/dbraw/zinc/95/09/00/566950900.db2.gz JVFQHUDGJSLQRS-UHFFFAOYSA-N -1 3 391.313 3.390 20 0 GGADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c1 ZINC000612089393 566952641 /nfs/dbraw/zinc/95/26/41/566952641.db2.gz LAJFKCFGHZKYCS-GFCCVEGCSA-N -1 3 377.487 3.290 20 0 GGADHM CC(C)COCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493658618 566953576 /nfs/dbraw/zinc/95/35/76/566953576.db2.gz OMQAAAMHPIJSAO-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429830639 566953778 /nfs/dbraw/zinc/95/37/78/566953778.db2.gz XJIYPMJWPCRBQC-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000633369977 566954549 /nfs/dbraw/zinc/95/45/49/566954549.db2.gz XRRXZXYPXUFCOH-UHFFFAOYSA-N -1 3 378.822 3.463 20 0 GGADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cc(Cl)ccc1Br ZINC000429828846 566954662 /nfs/dbraw/zinc/95/46/62/566954662.db2.gz NBKHDJNFSQVVNY-ZDUSSCGKSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-]CCCOCC1CCOCC1)c1ccc(Cl)cc1Cl ZINC000429830787 566954689 /nfs/dbraw/zinc/95/46/89/566954689.db2.gz QOXYYJWLKXVUAV-UHFFFAOYSA-N -1 3 382.309 3.105 20 0 GGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493951901 566964016 /nfs/dbraw/zinc/96/40/16/566964016.db2.gz FNSFXETZQSWBIC-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544352471 566955867 /nfs/dbraw/zinc/95/58/67/566955867.db2.gz FGZWFDFYMOQBCK-PWSUYJOCSA-N -1 3 380.279 3.070 20 0 GGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429835071 566956032 /nfs/dbraw/zinc/95/60/32/566956032.db2.gz ZAGNKMCZZPRUHX-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000429845794 566956046 /nfs/dbraw/zinc/95/60/46/566956046.db2.gz YCWAINJCWQQELI-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544350657 566956236 /nfs/dbraw/zinc/95/62/36/566956236.db2.gz KVAXQRACYTTYOO-GHMZBOCLSA-N -1 3 380.279 3.072 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)OC ZINC000544347390 566956417 /nfs/dbraw/zinc/95/64/17/566956417.db2.gz GHYQBUKMPBGTAS-NSHDSACASA-N -1 3 398.706 3.113 20 0 GGADHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCCN1C ZINC000493795744 566956866 /nfs/dbraw/zinc/95/68/66/566956866.db2.gz NVXKSFCDTRQZCG-CZUORRHYSA-N -1 3 386.945 3.280 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCC1 ZINC000544349033 566956924 /nfs/dbraw/zinc/95/69/24/566956924.db2.gz WTWJZPLFXFJCFR-LLVKDONJSA-N -1 3 394.306 3.055 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544347366 566956971 /nfs/dbraw/zinc/95/69/71/566956971.db2.gz FKEIFXLVGBVENH-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cccc(Cl)c1Br ZINC000493873551 566957103 /nfs/dbraw/zinc/95/71/03/566957103.db2.gz MNHFXKFVHLZFOJ-LBPRGKRZSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429853833 566957570 /nfs/dbraw/zinc/95/75/70/566957570.db2.gz MBYFPQIMQOOLJO-JTQLQIEISA-N -1 3 389.702 3.407 20 0 GGADHM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000656862336 566957596 /nfs/dbraw/zinc/95/75/96/566957596.db2.gz FTINJLQFSJLHFT-MRXNPFEDSA-N -1 3 386.876 3.329 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(C(C)C)cc2)s1 ZINC000612157909 566957731 /nfs/dbraw/zinc/95/77/31/566957731.db2.gz SURUKFACXDOCNY-UHFFFAOYSA-N -1 3 380.535 3.029 20 0 GGADHM CCN1CCC([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000471516021 566957744 /nfs/dbraw/zinc/95/77/44/566957744.db2.gz NDHQGPVNDAPDBY-UHFFFAOYSA-N -1 3 399.713 3.004 20 0 GGADHM O=S(=O)([N-]CCCN1CCCC1)c1cc(Cl)c(Br)cc1F ZINC000471511181 566957824 /nfs/dbraw/zinc/95/78/24/566957824.db2.gz GFXHUKABRCQZKK-UHFFFAOYSA-N -1 3 399.713 3.006 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C(F)F)CCCC2)cc1OC ZINC000564251261 566957906 /nfs/dbraw/zinc/95/79/06/566957906.db2.gz PYBFSHLDLHXOKA-UHFFFAOYSA-N -1 3 376.425 3.221 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCN1Cc1ccccc1 ZINC000429851112 566958031 /nfs/dbraw/zinc/95/80/31/566958031.db2.gz WZTZDVKSNIVARC-OAHLLOKOSA-N -1 3 399.299 3.073 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1cccc(Cl)c1Br ZINC000493887340 566958709 /nfs/dbraw/zinc/95/87/09/566958709.db2.gz CSXGYKUOTTXTIP-JTQLQIEISA-N -1 3 394.674 3.098 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)c3ccc(Cl)cc3)cc2C1 ZINC000656864240 566959254 /nfs/dbraw/zinc/95/92/54/566959254.db2.gz YWCAXXNUPDDNFT-LLVKDONJSA-N -1 3 398.937 3.346 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429859500 566959498 /nfs/dbraw/zinc/95/94/98/566959498.db2.gz JKYLKMHKZYPARU-GXSJLCMTSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@@H]2c3cccc(Br)c3CC2(C)C)on1 ZINC000583541181 566959565 /nfs/dbraw/zinc/95/95/65/566959565.db2.gz FKSSQYIKRSFHHS-OAHLLOKOSA-N -1 3 399.310 3.489 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NCC1CCCC1 ZINC000429860137 566959687 /nfs/dbraw/zinc/95/96/87/566959687.db2.gz RWCHJNYWNAQXSE-UHFFFAOYSA-N -1 3 393.336 3.357 20 0 GGADHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000429859043 566959947 /nfs/dbraw/zinc/95/99/47/566959947.db2.gz OWAQQHJHIMQJRF-ZDUSSCGKSA-N -1 3 390.288 3.020 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000493902070 566960181 /nfs/dbraw/zinc/96/01/81/566960181.db2.gz ZTOQKRNEECCPBI-UHFFFAOYSA-N -1 3 387.929 3.350 20 0 GGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429862827 566960156 /nfs/dbraw/zinc/96/01/56/566960156.db2.gz APLCADOAGMEDRM-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2cccc(F)c2)cc1OC ZINC000564263250 566960269 /nfs/dbraw/zinc/96/02/69/566960269.db2.gz BRGHTSJKEVNDAT-UHFFFAOYSA-N -1 3 387.816 3.216 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493910173 566960276 /nfs/dbraw/zinc/96/02/76/566960276.db2.gz ZHTPSCNVEPXXAT-TVQRCGJNSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO[C@H]1C1CC1 ZINC000493896908 566960309 /nfs/dbraw/zinc/96/03/09/566960309.db2.gz KBNCTVNIIHVIGA-UONOGXRCSA-N -1 3 394.718 3.338 20 0 GGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493903885 566960726 /nfs/dbraw/zinc/96/07/26/566960726.db2.gz BLEVKVYHBMCYIV-NSHDSACASA-N -1 3 384.723 3.178 20 0 GGADHM CN(Cc1cccs1)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471566729 566961109 /nfs/dbraw/zinc/96/11/09/566961109.db2.gz MHYKCWXHEMBNER-UHFFFAOYSA-N -1 3 392.424 3.411 20 0 GGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429870482 566961212 /nfs/dbraw/zinc/96/12/12/566961212.db2.gz XOECMDHWVCGDGD-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CCOc1cc([C@@H]2NC(=O)c3cccc(OC)c3O2)cc(Br)c1[O-] ZINC000612275721 566961471 /nfs/dbraw/zinc/96/14/71/566961471.db2.gz MBGLDJBNTHVOCD-QGZVFWFLSA-N -1 3 394.221 3.383 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429871296 566961605 /nfs/dbraw/zinc/96/16/05/566961605.db2.gz ZPVXWDDIJMZFAX-UHFFFAOYSA-N -1 3 395.750 3.113 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCCO1 ZINC000429869561 566961661 /nfs/dbraw/zinc/96/16/61/566961661.db2.gz QYODZNIPBRTVRV-JOYOIKCWSA-N -1 3 382.707 3.338 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000429878701 566962484 /nfs/dbraw/zinc/96/24/84/566962484.db2.gz HSNBVBFOJFYFDF-SNVBAGLBSA-N -1 3 397.285 3.229 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493923794 566962550 /nfs/dbraw/zinc/96/25/50/566962550.db2.gz FBALILMHETWUDW-NSHDSACASA-N -1 3 384.723 3.178 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000429878699 566962862 /nfs/dbraw/zinc/96/28/62/566962862.db2.gz HSNBVBFOJFYFDF-JTQLQIEISA-N -1 3 397.285 3.229 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nccs1 ZINC000656874464 566963055 /nfs/dbraw/zinc/96/30/55/566963055.db2.gz AQTAVFJICZPYDF-UHFFFAOYSA-N -1 3 391.312 3.173 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000493959960 566963815 /nfs/dbraw/zinc/96/38/15/566963815.db2.gz IFNSJSWRWLMPED-QWRGUYRKSA-N -1 3 382.707 3.338 20 0 GGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493960031 566964248 /nfs/dbraw/zinc/96/42/48/566964248.db2.gz IVKHIXQKWVBPQM-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CCOC1CC(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)C1 ZINC000493976602 566965463 /nfs/dbraw/zinc/96/54/63/566965463.db2.gz IYGMNKVQASKASI-UHFFFAOYSA-N -1 3 382.233 3.154 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCCC1)c1cccc(Cl)c1Br ZINC000493985648 566965994 /nfs/dbraw/zinc/96/59/94/566965994.db2.gz OCBSWMODMIHMED-UHFFFAOYSA-N -1 3 396.734 3.466 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCN1C ZINC000471614258 566966063 /nfs/dbraw/zinc/96/60/63/566966063.db2.gz TXUGNVAFRKAGMZ-DTWKUNHWSA-N -1 3 399.713 3.003 20 0 GGADHM COCCSCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000519769247 566967176 /nfs/dbraw/zinc/96/71/76/566967176.db2.gz VHHDIOZRTUTAPT-HNNXBMFYSA-N -1 3 388.327 3.030 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429934925 566967221 /nfs/dbraw/zinc/96/72/21/566967221.db2.gz XYONOAYOTPNKOS-VIFPVBQESA-N -1 3 392.257 3.049 20 0 GGADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656893082 566967806 /nfs/dbraw/zinc/96/78/06/566967806.db2.gz AUDDMODPLIANEY-HOCLYGCPSA-N -1 3 384.567 3.290 20 0 GGADHM Cc1noc(C)c1[C@H](C)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429934924 566968170 /nfs/dbraw/zinc/96/81/70/566968170.db2.gz XYONOAYOTPNKOS-SECBINFHSA-N -1 3 392.257 3.049 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1)C1CCCC1 ZINC000656896951 566968849 /nfs/dbraw/zinc/96/88/49/566968849.db2.gz JTYRKXXULWDVHI-SJORKVTESA-N -1 3 380.535 3.357 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N(Cc1ccccn1)C1CC1 ZINC000429948398 566969793 /nfs/dbraw/zinc/96/97/93/566969793.db2.gz QBLAGBJCMJSHSE-UHFFFAOYSA-N -1 3 386.253 3.110 20 0 GGADHM Cc1csc([C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)n1 ZINC000429939627 566969834 /nfs/dbraw/zinc/96/98/34/566969834.db2.gz HKJFWQZXQIQLRE-SECBINFHSA-N -1 3 380.271 3.166 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000494056062 566969901 /nfs/dbraw/zinc/96/99/01/566969901.db2.gz YVSRPOLVCJWQQR-JTQLQIEISA-N -1 3 386.832 3.257 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c1 ZINC000564380472 566971023 /nfs/dbraw/zinc/97/10/23/566971023.db2.gz QVHAFTDOCCGBIZ-VIFPVBQESA-N -1 3 377.896 3.215 20 0 GGADHM CC(C)N(C)C[C@H](C)NC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000564381021 566971095 /nfs/dbraw/zinc/97/10/95/566971095.db2.gz UGJTXDZAGKMVNH-JTQLQIEISA-N -1 3 385.896 3.270 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471692033 566971637 /nfs/dbraw/zinc/97/16/37/566971637.db2.gz FXWYTQOIICWZBP-MFKMUULPSA-N -1 3 378.416 3.385 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000519817657 566971986 /nfs/dbraw/zinc/97/19/86/566971986.db2.gz GDOROQMQUSIIGT-CQSZACIVSA-N -1 3 381.881 3.274 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1cc(F)cc(F)c1 ZINC000429981921 566972246 /nfs/dbraw/zinc/97/22/46/566972246.db2.gz LOHGRCNOCHOFHB-UHFFFAOYSA-N -1 3 381.180 3.119 20 0 GGADHM C[C@@H](CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nccs1 ZINC000429972910 566972383 /nfs/dbraw/zinc/97/23/83/566972383.db2.gz HNLXUVOSFPRCNK-JTQLQIEISA-N -1 3 394.298 3.243 20 0 GGADHM CC(C)CN(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000471713502 566972693 /nfs/dbraw/zinc/97/26/93/566972693.db2.gz NEIVSIQEMKYYGV-UHFFFAOYSA-N -1 3 378.416 3.338 20 0 GGADHM C[C@H](CCc1cccn1C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429976411 566972783 /nfs/dbraw/zinc/97/27/83/566972783.db2.gz VFADFZPQEKHYSA-GFCCVEGCSA-N -1 3 390.285 3.000 20 0 GGADHM CC(C)(NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nccs1 ZINC000429976895 566972800 /nfs/dbraw/zinc/97/28/00/566972800.db2.gz UMERITOGNBOVCA-UHFFFAOYSA-N -1 3 380.271 3.032 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCC1(c2ccccc2)CC1 ZINC000429982574 566972956 /nfs/dbraw/zinc/97/29/56/566972956.db2.gz QUXYPUORODMVOT-UHFFFAOYSA-N -1 3 385.265 3.372 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCCCC3CCCC3)cc2C1 ZINC000656921103 566973041 /nfs/dbraw/zinc/97/30/41/566973041.db2.gz OUUSKQJRLGKYGI-UHFFFAOYSA-N -1 3 384.567 3.292 20 0 GGADHM CSCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nnc2ccccn21 ZINC000564400486 566973278 /nfs/dbraw/zinc/97/32/78/566973278.db2.gz PSNVJRQDKWMXIC-CQSZACIVSA-N -1 3 376.869 3.313 20 0 GGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)n1 ZINC000564430077 566974431 /nfs/dbraw/zinc/97/44/31/566974431.db2.gz QINIDNVNNXXHBL-UHFFFAOYSA-N -1 3 378.479 3.159 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)CC)ccc2Cl)cn1 ZINC000544638334 566974859 /nfs/dbraw/zinc/97/48/59/566974859.db2.gz RLSUSGFSMLURRA-UHFFFAOYSA-N -1 3 383.857 3.283 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000656921820 566975376 /nfs/dbraw/zinc/97/53/76/566975376.db2.gz FRJPVXLQZODGCO-UHFFFAOYSA-N -1 3 390.221 3.469 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc(Cl)c1Cl ZINC000519859559 566975518 /nfs/dbraw/zinc/97/55/18/566975518.db2.gz VIANTTRQOCVIII-SUMWQHHRSA-N -1 3 386.300 3.438 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cs1 ZINC000656929551 566976226 /nfs/dbraw/zinc/97/62/26/566976226.db2.gz FPTZYOBXHVQTCE-SECBINFHSA-N -1 3 378.878 3.263 20 0 GGADHM Cc1csc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000471778773 566976088 /nfs/dbraw/zinc/97/60/88/566976088.db2.gz GVENIHWVYZNBID-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000544638829 566976400 /nfs/dbraw/zinc/97/64/00/566976400.db2.gz 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/nfs/dbraw/zinc/99/72/35/566997235.db2.gz LGYYXTCMURKKLE-CQSZACIVSA-N -1 3 384.567 3.147 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)[C@@H]3CCC[C@H](C)C3)cc2C1 ZINC000657007643 566997616 /nfs/dbraw/zinc/99/76/16/566997616.db2.gz JHRIAHHEGDVGIP-KCQAQPDRSA-N -1 3 384.567 3.146 20 0 GGADHM CCN(Cc1cccc(Br)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000564666354 566997822 /nfs/dbraw/zinc/99/78/22/566997822.db2.gz ONAKWJFGQPEVRX-UHFFFAOYSA-N -1 3 376.254 3.484 20 0 GGADHM COc1ccc(CNCc2ccc([S@](C)=O)cc2)c(Br)c1[O-] ZINC000612804381 566997922 /nfs/dbraw/zinc/99/79/22/566997922.db2.gz YWPGJUAUGXHLSF-QFIPXVFZSA-N -1 3 384.295 3.191 20 0 GGADHM Cc1ccc([C@H](C)[C@H](O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000494411324 566998023 /nfs/dbraw/zinc/99/80/23/566998023.db2.gz BEMMUZCONPJBAF-SJCJKPOMSA-N -1 3 378.266 3.244 20 0 GGADHM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000564682128 566997992 /nfs/dbraw/zinc/99/79/92/566997992.db2.gz TYGBRVHVRHCGBH-ONEGZZNKSA-N -1 3 384.454 3.031 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cnc(C)o1 ZINC000657011155 566998130 /nfs/dbraw/zinc/99/81/30/566998130.db2.gz ZAXMTAGICUNBBU-UHFFFAOYSA-N -1 3 389.271 3.013 20 0 GGADHM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000681689329 566999002 /nfs/dbraw/zinc/99/90/02/566999002.db2.gz XOURTIQFFGVYNW-AAEUAGOBSA-N -1 3 395.855 3.221 20 0 GGADHM COc1ccc(Cn2ccc(NCc3cc([O-])ccc3Br)n2)cc1 ZINC000494407337 566999052 /nfs/dbraw/zinc/99/90/52/566999052.db2.gz TXXDYAUCOVKHHC-UHFFFAOYSA-N -1 3 388.265 3.442 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cn1C ZINC000544837427 566999228 /nfs/dbraw/zinc/99/92/28/566999228.db2.gz QFROQFYCSFSEPR-UHFFFAOYSA-N -1 3 377.249 3.309 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3CCC[C@@H]3C(C)(C)C)cc2C1 ZINC000657013951 566999902 /nfs/dbraw/zinc/99/99/02/566999902.db2.gz BQDONYNMWIAVII-GJZGRUSLSA-N -1 3 384.567 3.146 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC/C=C\c2ccc(Br)cc2)c(=O)[n-]1 ZINC000452632800 567000071 /nfs/dbraw/zinc/00/00/71/567000071.db2.gz 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ZINC000657055673 567007418 /nfs/dbraw/zinc/00/74/18/567007418.db2.gz XKTRELPQWIGOKH-PRHODGIISA-N -1 3 395.116 3.433 20 0 GGADHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(OC)c([O-])c1Br ZINC000544927223 567007349 /nfs/dbraw/zinc/00/73/49/567007349.db2.gz AKISZZHHMPOWJC-HUUCEWRRSA-N -1 3 399.329 3.385 20 0 GGADHM CC[C@@H]1CN(Cc2ccc(OC)c([O-])c2Br)[C@@H](CC)CN1C(C)=O ZINC000544927224 567007509 /nfs/dbraw/zinc/00/75/09/567007509.db2.gz AKISZZHHMPOWJC-LSDHHAIUSA-N -1 3 399.329 3.385 20 0 GGADHM CC1(CS(=O)(=O)[N-]Cc2nc(-c3cc4ccccc4o3)cs2)COC1 ZINC000564795766 567009081 /nfs/dbraw/zinc/00/90/81/567009081.db2.gz BVEGPKBLKGIMHC-UHFFFAOYSA-N -1 3 378.475 3.012 20 0 GGADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])nnn1CC1CCCC1 ZINC000520499839 567009223 /nfs/dbraw/zinc/00/92/23/567009223.db2.gz JBWGCIKQHVDDIY-UHFFFAOYSA-N -1 3 379.258 3.497 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCN(C(C)(C)C)C2)c(Cl)c1Cl ZINC000657063289 567009374 /nfs/dbraw/zinc/00/93/74/567009374.db2.gz WKTGWLUTIWNQHJ-JTQLQIEISA-N -1 3 381.325 3.153 20 0 GGADHM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CC[C@H](C2CCOCC2)C1 ZINC000564804210 567009519 /nfs/dbraw/zinc/00/95/19/567009519.db2.gz UYOODAFHJVNUKB-BLLLJJGKSA-N -1 3 386.261 3.462 20 0 GGADHM O=S(=O)([N-]CCOCC(F)F)c1cc(Cl)ccc1OCCC1CC1 ZINC000472206941 567009625 /nfs/dbraw/zinc/00/96/25/567009625.db2.gz OVTFLSGDNLXXES-UHFFFAOYSA-N -1 3 383.844 3.079 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2Br)o1 ZINC000430320963 567010017 /nfs/dbraw/zinc/01/00/17/567010017.db2.gz YQIXTWYYXLKGNT-UHFFFAOYSA-N -1 3 378.631 3.351 20 0 GGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000472209839 567010101 /nfs/dbraw/zinc/01/01/01/567010101.db2.gz PSSPBPWOFXPTHU-UHFFFAOYSA-N -1 3 384.723 3.322 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)s2)s1 ZINC000564806304 567010628 /nfs/dbraw/zinc/01/06/28/567010628.db2.gz PQRGRYXOVSGPCD-HTQZYQBOSA-N -1 3 379.326 3.110 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)cc1 ZINC000544965725 567010781 /nfs/dbraw/zinc/01/07/81/567010781.db2.gz NDQJJAFJBMGTSC-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM CC[C@H](C(=O)Nc1c([O-])ccc(Br)c1C)N1CCO[C@H](CC)C1 ZINC000452744991 567010939 /nfs/dbraw/zinc/01/09/39/567010939.db2.gz DHQHHFGKNJFLTJ-TZMCWYRMSA-N -1 3 385.302 3.291 20 0 GGADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cn1 ZINC000544949348 567010931 /nfs/dbraw/zinc/01/09/31/567010931.db2.gz FCSSPIKDOSFMNK-LLVKDONJSA-N -1 3 378.841 3.133 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000452746070 567011235 /nfs/dbraw/zinc/01/12/35/567011235.db2.gz FSUFOZCGWYMNBZ-NSHDSACASA-N -1 3 381.270 3.193 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000657070395 567011287 /nfs/dbraw/zinc/01/12/87/567011287.db2.gz MRNWDWULBUTHLB-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM O=S(=O)([N-][C@H](CC1CC1)c1cc(F)cc(Br)c1)c1c[nH]cn1 ZINC000494614619 567011678 /nfs/dbraw/zinc/01/16/78/567011678.db2.gz ULYPDKAUBOHHEO-CYBMUJFWSA-N -1 3 388.262 3.131 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000452751302 567012053 /nfs/dbraw/zinc/01/20/53/567012053.db2.gz GOFVBNUUKVRONT-LBPRGKRZSA-N -1 3 393.237 3.278 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1cc(Br)ccc1F ZINC000520559030 567012503 /nfs/dbraw/zinc/01/25/03/567012503.db2.gz GMBWGAAZYQEUKN-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000657081691 567012776 /nfs/dbraw/zinc/01/27/76/567012776.db2.gz RQKBCTOJFMXGCD-SNVBAGLBSA-N -1 3 389.315 3.048 20 0 GGADHM CO[C@@H](C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC1 ZINC000472268887 567014459 /nfs/dbraw/zinc/01/44/59/567014459.db2.gz KRCUURSHJPGNGA-CQSZACIVSA-N -1 3 384.661 3.278 20 0 GGADHM Cc1nc(C)c(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)s1 ZINC000472265863 567014601 /nfs/dbraw/zinc/01/46/01/567014601.db2.gz OUTLQXFLSPAHGB-UHFFFAOYSA-N -1 3 393.412 3.403 20 0 GGADHM CCC(CC)N1C[C@@H](C(=O)Nc2c([O-])ccc(Br)c2C)CC1=O ZINC000452759705 567015041 /nfs/dbraw/zinc/01/50/41/567015041.db2.gz UXCGWHVZLMDWDM-NSHDSACASA-N -1 3 383.286 3.439 20 0 GGADHM CCC(CC)N1C[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)CC1=O ZINC000452759704 567015672 /nfs/dbraw/zinc/01/56/72/567015672.db2.gz UXCGWHVZLMDWDM-LLVKDONJSA-N -1 3 383.286 3.439 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)OCCc2sccc21 ZINC000584142418 567015854 /nfs/dbraw/zinc/01/58/54/567015854.db2.gz YDBGEFDBZCHUFP-HNNXBMFYSA-N -1 3 375.874 3.307 20 0 GGADHM CC[C@@]1(C)CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000472306363 567016877 /nfs/dbraw/zinc/01/68/77/567016877.db2.gz QPIYSJDOURPFJQ-HNNXBMFYSA-N -1 3 378.416 3.339 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Cl)cn1)c1ccc(F)cc1C(F)(F)F ZINC000472304302 567016971 /nfs/dbraw/zinc/01/69/71/567016971.db2.gz FONVNOKMILGBGD-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000472306365 567017044 /nfs/dbraw/zinc/01/70/44/567017044.db2.gz QPIYSJDOURPFJQ-OAHLLOKOSA-N -1 3 378.416 3.339 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1cccc(OC)c1 ZINC000657109904 567017240 /nfs/dbraw/zinc/01/72/40/567017240.db2.gz ZVYMDXSFAQZWFL-INIZCTEOSA-N -1 3 385.869 3.023 20 0 GGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000472312408 567017380 /nfs/dbraw/zinc/01/73/80/567017380.db2.gz DSSGHVBIBICIOW-SSDOTTSWSA-N -1 3 395.238 3.152 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1cc(Cl)ccc1Cl ZINC000472309323 567017760 /nfs/dbraw/zinc/01/77/60/567017760.db2.gz CTIQGAQYMBQUQB-UHFFFAOYSA-N -1 3 381.668 3.399 20 0 GGADHM C[C@H]1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)C1 ZINC000430482989 567018154 /nfs/dbraw/zinc/01/81/54/567018154.db2.gz XHCQWLUXQVDFNV-STQMWFEESA-N -1 3 382.507 3.080 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(CCc2c(Cl)cccc2Cl)no1 ZINC000545090513 567018426 /nfs/dbraw/zinc/01/84/26/567018426.db2.gz VLYBTIKCVHNKBP-UHFFFAOYSA-N -1 3 392.308 3.381 20 0 GGADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1csc(=O)[n-]1 ZINC000472322229 567018741 /nfs/dbraw/zinc/01/87/41/567018741.db2.gz RQHCTUVBHFXPCL-LLVKDONJSA-N -1 3 389.260 3.060 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1cccc(Cl)c1Cl ZINC000472330993 567020425 /nfs/dbraw/zinc/02/04/25/567020425.db2.gz WKXDJSMNHCBMKL-UHFFFAOYSA-N -1 3 381.668 3.399 20 0 GGADHM C[C@H]1OCC[C@]1(C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430567069 567020506 /nfs/dbraw/zinc/02/05/06/567020506.db2.gz INZNOGPKESNRHU-BCTVWOGZSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]1OCC[C@]1(C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430567069 567020514 /nfs/dbraw/zinc/02/05/14/567020514.db2.gz INZNOGPKESNRHU-BCTVWOGZSA-N -1 3 399.672 3.241 20 0 GGADHM CN(CC(F)F)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430541522 567020828 /nfs/dbraw/zinc/02/08/28/567020828.db2.gz JEQTYQUJZCUWBX-UHFFFAOYSA-N -1 3 379.588 3.281 20 0 GGADHM CN(CC(F)F)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430541522 567020835 /nfs/dbraw/zinc/02/08/35/567020835.db2.gz JEQTYQUJZCUWBX-UHFFFAOYSA-N -1 3 379.588 3.281 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 ZINC000472337478 567020805 /nfs/dbraw/zinc/02/08/05/567020805.db2.gz JDBNSQMEOBTCNZ-UHFFFAOYSA-N -1 3 386.804 3.173 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CCCC1 ZINC000472341869 567020869 /nfs/dbraw/zinc/02/08/69/567020869.db2.gz HQYIVZUEPBMYHS-UHFFFAOYSA-N -1 3 391.331 3.109 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F ZINC000584211154 567022060 /nfs/dbraw/zinc/02/20/60/567022060.db2.gz PLAFIUNHIXASLE-RNCFNFMXSA-N -1 3 378.416 3.172 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F ZINC000584211153 567022665 /nfs/dbraw/zinc/02/26/65/567022665.db2.gz PLAFIUNHIXASLE-NOZJJQNGSA-N -1 3 378.416 3.172 20 0 GGADHM CCOCCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430589563 567022808 /nfs/dbraw/zinc/02/28/08/567022808.db2.gz IJKIAWIKKKVBHI-UHFFFAOYSA-N -1 3 387.661 3.053 20 0 GGADHM CCOCCN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430589563 567022810 /nfs/dbraw/zinc/02/28/10/567022810.db2.gz IJKIAWIKKKVBHI-UHFFFAOYSA-N -1 3 387.661 3.053 20 0 GGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC(F)(F)C1 ZINC000430584247 567023453 /nfs/dbraw/zinc/02/34/53/567023453.db2.gz URPKGTQLDLVSAH-UHFFFAOYSA-N -1 3 391.599 3.425 20 0 GGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CCC(F)(F)C1 ZINC000430584247 567023459 /nfs/dbraw/zinc/02/34/59/567023459.db2.gz URPKGTQLDLVSAH-UHFFFAOYSA-N -1 3 391.599 3.425 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]CCC(C)(C)F)cc1Cl ZINC000657141588 567024081 /nfs/dbraw/zinc/02/40/81/567024081.db2.gz HBETYBRFMMMDRY-UHFFFAOYSA-N -1 3 388.288 3.435 20 0 GGADHM COCc1csc(C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000657151410 567025524 /nfs/dbraw/zinc/02/55/24/567025524.db2.gz XONMDNVFHPIWLL-UHFFFAOYSA-N -1 3 382.326 3.197 20 0 GGADHM COC(C)(C)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430600005 567024826 /nfs/dbraw/zinc/02/48/26/567024826.db2.gz RJEBYBZTJMWLDP-UHFFFAOYSA-N -1 3 387.661 3.099 20 0 GGADHM COC(C)(C)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430600005 567024831 /nfs/dbraw/zinc/02/48/31/567024831.db2.gz RJEBYBZTJMWLDP-UHFFFAOYSA-N -1 3 387.661 3.099 20 0 GGADHM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000657150934 567024756 /nfs/dbraw/zinc/02/47/56/567024756.db2.gz FAVGUNGKEAUQTR-UHFFFAOYSA-N -1 3 393.818 3.448 20 0 GGADHM COCc1csc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000657152333 567024912 /nfs/dbraw/zinc/02/49/12/567024912.db2.gz QUSDVIUESAIZMW-UHFFFAOYSA-N -1 3 399.387 3.411 20 0 GGADHM CN(Cc1ccon1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430663932 567026342 /nfs/dbraw/zinc/02/63/42/567026342.db2.gz KPKWURGJYOTJCK-UHFFFAOYSA-N -1 3 396.628 3.204 20 0 GGADHM CN(Cc1ccon1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430663932 567026348 /nfs/dbraw/zinc/02/63/48/567026348.db2.gz KPKWURGJYOTJCK-UHFFFAOYSA-N -1 3 396.628 3.204 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)s1 ZINC000545187169 567027996 /nfs/dbraw/zinc/02/79/96/567027996.db2.gz BAGGLBIZAHVABH-UHFFFAOYSA-N -1 3 397.591 3.098 20 0 GGADHM CC(C)(C)[C@H]1CCc2nc([N-]C(=O)c3sccc3S(N)(=O)=O)sc2C1 ZINC000613316383 567029371 /nfs/dbraw/zinc/02/93/71/567029371.db2.gz DBBBRCUYLKOTQR-VIFPVBQESA-N -1 3 399.563 3.255 20 0 GGADHM CN(Cc1cc(Br)ccc1C(=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000584296690 567029330 /nfs/dbraw/zinc/02/93/30/567029330.db2.gz DGSHFPAXCJTTFP-AWEZNQCLSA-N -1 3 392.249 3.419 20 0 GGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472491949 567029739 /nfs/dbraw/zinc/02/97/39/567029739.db2.gz BHNLEYYGYAFAAH-QMTHXVAHSA-N -1 3 378.416 3.480 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)s1 ZINC000682084791 567029797 /nfs/dbraw/zinc/02/97/97/567029797.db2.gz REGNGJUNAHJCNJ-MWLCHTKSSA-N -1 3 386.461 3.201 20 0 GGADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)c(C)c1 ZINC000520895884 567030401 /nfs/dbraw/zinc/03/04/01/567030401.db2.gz ZMRMDIZVIBPAFC-CYBMUJFWSA-N -1 3 383.311 3.370 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1cccc(Cl)c1F ZINC000584309197 567031299 /nfs/dbraw/zinc/03/12/99/567031299.db2.gz USNHWQJJBXQTCD-SNVBAGLBSA-N -1 3 378.252 3.187 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000545219151 567031396 /nfs/dbraw/zinc/03/13/96/567031396.db2.gz VSKWZJIXNMYJSR-HOTGVXAUSA-N -1 3 394.320 3.486 20 0 GGADHM CC1(F)CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000634361380 567032751 /nfs/dbraw/zinc/03/27/51/567032751.db2.gz ZOOGSRCLFLJRBF-UHFFFAOYSA-N -1 3 382.379 3.041 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)CC1 ZINC000584338472 567034108 /nfs/dbraw/zinc/03/41/08/567034108.db2.gz WHJVGQUVHXMCCO-UHFFFAOYSA-N -1 3 396.690 3.330 20 0 GGADHM NC(=O)c1cc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)cs1 ZINC000634420924 567034639 /nfs/dbraw/zinc/03/46/39/567034639.db2.gz CNQWPEMUDPNKDN-UHFFFAOYSA-N -1 3 378.504 3.371 20 0 GGADHM O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1csc(=O)[n-]1 ZINC000545309925 567035706 /nfs/dbraw/zinc/03/57/06/567035706.db2.gz WGUCKXFNANRHTD-UHFFFAOYSA-N -1 3 397.294 3.089 20 0 GGADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000584350833 567035870 /nfs/dbraw/zinc/03/58/70/567035870.db2.gz DUCONHOZGHNTMA-UHFFFAOYSA-N -1 3 378.679 3.384 20 0 GGADHM C[C@@H]1CCC[C@H]1CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000545301921 567036779 /nfs/dbraw/zinc/03/67/79/567036779.db2.gz YKPUYPUUSYBKGT-NEPJUHHUSA-N -1 3 393.336 3.214 20 0 GGADHM O=S(=O)([N-]c1ccncc1)c1csc(-c2cccc(Br)c2)n1 ZINC000521018452 567036845 /nfs/dbraw/zinc/03/68/45/567036845.db2.gz FAQZFPSSHTYDNI-UHFFFAOYSA-N -1 3 396.291 3.190 20 0 GGADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472574434 567037175 /nfs/dbraw/zinc/03/71/75/567037175.db2.gz OZKNJCVACCMCFL-HZMBPMFUSA-N -1 3 378.416 3.338 20 0 GGADHM CC(C)(C)Oc1c(F)cc([N-]C(=O)c2sccc2S(N)(=O)=O)cc1F ZINC000613405751 567037206 /nfs/dbraw/zinc/03/72/06/567037206.db2.gz UUOCGIPQIPOAGO-UHFFFAOYSA-N -1 3 390.433 3.103 20 0 GGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000521070965 567039689 /nfs/dbraw/zinc/03/96/89/567039689.db2.gz WFKTUBDFCGGVDV-GVDBMIGSSA-N -1 3 382.298 3.448 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC000565107164 567039724 /nfs/dbraw/zinc/03/97/24/567039724.db2.gz UAKKLMJBSQSLKZ-UHFFFAOYSA-N -1 3 379.254 3.443 20 0 GGADHM O=c1[n-]nc(SCc2cc(F)ccc2OC(F)F)n1C[C@@H]1CCCO1 ZINC000657235160 567039924 /nfs/dbraw/zinc/03/99/24/567039924.db2.gz YWYRQINEGXDWIE-NSHDSACASA-N -1 3 375.372 3.196 20 0 GGADHM Cc1cc(C)nc(N2[N-]C(=O)[C@@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)n1 ZINC000634584805 567041032 /nfs/dbraw/zinc/04/10/32/567041032.db2.gz NGCSFDOXWCDNEX-QGZVFWFLSA-N -1 3 379.247 3.126 20 0 GGADHM CO[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000453004377 567041165 /nfs/dbraw/zinc/04/11/65/567041165.db2.gz PECXYXLUZAVAGW-CHWSQXEVSA-N -1 3 399.672 3.241 20 0 GGADHM CO[C@@H]1CCC[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000453004377 567041170 /nfs/dbraw/zinc/04/11/70/567041170.db2.gz PECXYXLUZAVAGW-CHWSQXEVSA-N -1 3 399.672 3.241 20 0 GGADHM COc1cc(C[N-]S(=O)(=O)c2ccc(Br)o2)c2ccccc2n1 ZINC000545365778 567043064 /nfs/dbraw/zinc/04/30/64/567043064.db2.gz DPPDDEPSHYVFJW-UHFFFAOYSA-N -1 3 397.250 3.077 20 0 GGADHM CC(C)(C)[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000584442069 567043370 /nfs/dbraw/zinc/04/33/70/567043370.db2.gz SIGLMWTVWKCHDC-CQSZACIVSA-N -1 3 378.519 3.203 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H](OC(C)C)c2ccccc2OC)s1 ZINC000472640376 567043639 /nfs/dbraw/zinc/04/36/39/567043639.db2.gz QRMMQSVSEYJPES-HNNXBMFYSA-N -1 3 384.523 3.159 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)s1 ZINC000521158033 567045174 /nfs/dbraw/zinc/04/51/74/567045174.db2.gz REGYMSAQBGNDTH-UHFFFAOYSA-N -1 3 393.317 3.170 20 0 GGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565190269 567045895 /nfs/dbraw/zinc/04/58/95/567045895.db2.gz KIOZNUUMMFRYHB-JTQLQIEISA-N -1 3 388.265 3.409 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)CSc1ccc(C)cc1 ZINC000472696266 567045943 /nfs/dbraw/zinc/04/59/43/567045943.db2.gz YUHITCQHKKYGTK-GFCCVEGCSA-N -1 3 385.532 3.302 20 0 GGADHM Cc1ccc(SC[C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000472701393 567046518 /nfs/dbraw/zinc/04/65/18/567046518.db2.gz HCTDXKVUUYHPHH-AWEZNQCLSA-N -1 3 378.519 3.277 20 0 GGADHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000545386103 567046963 /nfs/dbraw/zinc/04/69/63/567046963.db2.gz DZWLXELLNDARFS-QMMMGPOBSA-N -1 3 378.219 3.229 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000565216163 567047984 /nfs/dbraw/zinc/04/79/84/567047984.db2.gz PGKCVJPZCUEURX-UHFFFAOYSA-N -1 3 375.266 3.498 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)oc1C ZINC000472738632 567048087 /nfs/dbraw/zinc/04/80/87/567048087.db2.gz SWFJMELUEOPZDR-UHFFFAOYSA-N -1 3 389.832 3.381 20 0 GGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)NCCOC)c(Cl)c1 ZINC000521254829 567050611 /nfs/dbraw/zinc/05/06/11/567050611.db2.gz QJVQYGUNEWHBNR-ZDUSSCGKSA-N -1 3 376.906 3.037 20 0 GGADHM Cc1nc2cc(C(=O)N=c3[nH][n-]cc3Br)ccc2n1-c1ccccc1 ZINC000565261790 567051859 /nfs/dbraw/zinc/05/18/59/567051859.db2.gz DUUAXCVKUIEAMD-UHFFFAOYSA-N -1 3 396.248 3.494 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cscc3Cl)cc2CC1 ZINC000634665760 567052002 /nfs/dbraw/zinc/05/20/02/567052002.db2.gz WWKREAAXSUXWQI-UHFFFAOYSA-N -1 3 384.910 3.149 20 0 GGADHM CCc1nocc1CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000584548983 567052546 /nfs/dbraw/zinc/05/25/46/567052546.db2.gz JIWYRYLGACLXHM-UHFFFAOYSA-N -1 3 390.237 3.113 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1C ZINC000565267762 567052526 /nfs/dbraw/zinc/05/25/26/567052526.db2.gz SDZKDUIDNSBZOG-UHFFFAOYSA-N -1 3 389.260 3.210 20 0 GGADHM Cc1cc(C)c(C(=O)N=c2cc3ccccn3[n-]2)cc1I ZINC000584546918 567052677 /nfs/dbraw/zinc/05/26/77/567052677.db2.gz YGPJPAMHOOKZPJ-UHFFFAOYSA-N -1 3 391.212 3.230 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2c(C)cccc2C)s1 ZINC000545467211 567053723 /nfs/dbraw/zinc/05/37/23/567053723.db2.gz VLZULBRLHCMHEZ-CQSZACIVSA-N -1 3 380.535 3.083 20 0 GGADHM O=c1[n-]c(SC[C@H](O)COCC(F)(F)F)nc2sc3c(c21)CCCC3 ZINC000431088404 567053959 /nfs/dbraw/zinc/05/39/59/567053959.db2.gz WPEUAGLFFJMOFY-MRVPVSSYSA-N -1 3 394.440 3.308 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)c1ccc(Cl)cc1 ZINC000545465446 567054495 /nfs/dbraw/zinc/05/44/95/567054495.db2.gz QFMFDEPVRDSGNN-QGZVFWFLSA-N -1 3 380.853 3.288 20 0 GGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](CO)c1ccc(Br)cc1 ZINC000682525622 567054732 /nfs/dbraw/zinc/05/47/32/567054732.db2.gz XCWWKLHYSYBWKR-MRXNPFEDSA-N -1 3 396.256 3.466 20 0 GGADHM O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cc([O-])ccc1Cl ZINC000495285299 567055334 /nfs/dbraw/zinc/05/53/34/567055334.db2.gz NDNURUXDIDWPRN-SECBINFHSA-N -1 3 383.206 3.373 20 0 GGADHM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1cncnc1 ZINC000545480056 567055455 /nfs/dbraw/zinc/05/54/55/567055455.db2.gz AMDPKMOSTPXIKJ-UHFFFAOYSA-N -1 3 380.202 3.149 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1ccc(F)cc1C(F)(F)F ZINC000565293555 567056005 /nfs/dbraw/zinc/05/60/05/567056005.db2.gz OCFWKVCJTHOJNU-UHFFFAOYSA-N -1 3 381.376 3.052 20 0 GGADHM CCOC[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000584574710 567056289 /nfs/dbraw/zinc/05/62/89/567056289.db2.gz FKAXHZLIEARTJZ-CYBMUJFWSA-N -1 3 393.281 3.322 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccc(OC)c(Cl)c1 ZINC000472946431 567056861 /nfs/dbraw/zinc/05/68/61/567056861.db2.gz AJHFDIUDAHEHII-INIZCTEOSA-N -1 3 389.901 3.062 20 0 GGADHM COC[C@H](C)n1ccc(=NC(=O)c2cc3cc(Br)sc3[n-]2)[nH]1 ZINC000613707321 567057120 /nfs/dbraw/zinc/05/71/20/567057120.db2.gz FRMNNKSFEWWKEF-QMMMGPOBSA-N -1 3 383.271 3.070 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000613705796 567057135 /nfs/dbraw/zinc/05/71/35/567057135.db2.gz PIGTXIQKVXLHAG-GFCCVEGCSA-N -1 3 396.285 3.021 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2(C)CCCCC2)c1OC ZINC000584581507 567057759 /nfs/dbraw/zinc/05/77/59/567057759.db2.gz ZRNUOWWVRLRBEV-UHFFFAOYSA-N -1 3 375.874 3.136 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)o1 ZINC000521384598 567058549 /nfs/dbraw/zinc/05/85/49/567058549.db2.gz OYBYUBYBQHQRCM-VIFPVBQESA-N -1 3 396.266 3.333 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2[nH]ccc2c1 ZINC000472966201 567058605 /nfs/dbraw/zinc/05/86/05/567058605.db2.gz AJMNBYHFRMREKX-UHFFFAOYSA-N -1 3 397.909 3.214 20 0 GGADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000634785596 567058664 /nfs/dbraw/zinc/05/86/64/567058664.db2.gz RDSVRHDSJJWTFM-HNNXBMFYSA-N -1 3 392.315 3.083 20 0 GGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000565332663 567058934 /nfs/dbraw/zinc/05/89/34/567058934.db2.gz RSUKOJYNFRVNTL-UHFFFAOYSA-N -1 3 392.706 3.358 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nc(C3CCCC3)ns2)CC1)c1cccs1 ZINC000521420593 567059294 /nfs/dbraw/zinc/05/92/94/567059294.db2.gz PSKKMBCLBPCWAY-UHFFFAOYSA-N -1 3 398.579 3.205 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)c1 ZINC000521424590 567059414 /nfs/dbraw/zinc/05/94/14/567059414.db2.gz MRLPVFLUOJUGAR-UHFFFAOYSA-N -1 3 378.881 3.054 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000565349819 567060162 /nfs/dbraw/zinc/06/01/62/567060162.db2.gz BBMLOAYQMKCRSK-PELKAZGASA-N -1 3 388.624 3.103 20 0 GGADHM CC(C)O[C@]1(CS(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)CCOC1 ZINC000634789197 567060056 /nfs/dbraw/zinc/06/00/56/567060056.db2.gz CXSDNABHMADWKE-OAHLLOKOSA-N -1 3 381.416 3.117 20 0 GGADHM Cc1c(Br)cccc1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000634788481 567060157 /nfs/dbraw/zinc/06/01/57/567060157.db2.gz VWOJXERWRRHXPS-HNNXBMFYSA-N -1 3 392.315 3.083 20 0 GGADHM COC(=O)c1cc(Cl)c(Cl)cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000431160490 567060505 /nfs/dbraw/zinc/06/05/05/567060505.db2.gz ATWXYXREBMVUCR-UHFFFAOYSA-N -1 3 392.216 3.029 20 0 GGADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000634787290 567060698 /nfs/dbraw/zinc/06/06/98/567060698.db2.gz SANGNMAHTCUACC-HNNXBMFYSA-N -1 3 392.315 3.083 20 0 GGADHM O=S(=O)([N-]Cc1ccncc1OCC(F)(F)F)c1cc(F)cc(Cl)c1 ZINC000545554825 567061496 /nfs/dbraw/zinc/06/14/96/567061496.db2.gz NGNIWOCBTUWZGP-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C2 ZINC000521519326 567063517 /nfs/dbraw/zinc/06/35/17/567063517.db2.gz QZZUOVSVWGTAGD-LLVKDONJSA-N -1 3 388.308 3.101 20 0 GGADHM COCCOc1cc(OC)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000473077113 567063692 /nfs/dbraw/zinc/06/36/92/567063692.db2.gz SULLBCKWNASYND-UHFFFAOYSA-N -1 3 396.237 3.441 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccnn1C ZINC000682618244 567063767 /nfs/dbraw/zinc/06/37/67/567063767.db2.gz XPEVRHVRCAHMPZ-NSHDSACASA-N -1 3 376.309 3.445 20 0 GGADHM Cc1nc(C)c(Cc2nc(Cc3cc(Br)ccc3F)no2)c(=O)[n-]1 ZINC000545570139 567063789 /nfs/dbraw/zinc/06/37/89/567063789.db2.gz KBQUAWBUOCLYBI-UHFFFAOYSA-N -1 3 393.216 3.265 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1Cl ZINC000431181388 567064168 /nfs/dbraw/zinc/06/41/68/567064168.db2.gz SDRWIKMDZDGFKK-UHFFFAOYSA-N -1 3 376.821 3.476 20 0 GGADHM CC(C)C(C)(C)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473206513 567066810 /nfs/dbraw/zinc/06/68/10/567066810.db2.gz MPVHWZCNJPLZFW-UHFFFAOYSA-N -1 3 380.432 3.489 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000565431689 567067163 /nfs/dbraw/zinc/06/71/63/567067163.db2.gz KLJHZXCMYMOSIG-ZDUSSCGKSA-N -1 3 398.319 3.161 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(CSCc2ccc(Cl)cc2)no1 ZINC000453251706 567067950 /nfs/dbraw/zinc/06/79/50/567067950.db2.gz NSHSQRLKEVABIW-UHFFFAOYSA-N -1 3 389.930 3.376 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CN2CCCCC2)c2ccccc2)s1 ZINC000682724574 567069369 /nfs/dbraw/zinc/06/93/69/567069369.db2.gz BASCGSJHIPDMEV-KRWDZBQOSA-N -1 3 379.551 3.265 20 0 GGADHM Cn1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c2ccccc21 ZINC000682729534 567069559 /nfs/dbraw/zinc/06/95/59/567069559.db2.gz UAYYLZURENIMFW-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM CSCc1cccc(-c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)c1 ZINC000545691478 567069982 /nfs/dbraw/zinc/06/99/82/567069982.db2.gz NZKGPYPYMGRKSL-UHFFFAOYSA-N -1 3 376.463 3.033 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2F)C(C)C)s1 ZINC000584796427 567071189 /nfs/dbraw/zinc/07/11/89/567071189.db2.gz CQKCGWUFMZTAJI-AWEZNQCLSA-N -1 3 389.449 3.055 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)NCC1CCCCC1 ZINC000431283239 567071668 /nfs/dbraw/zinc/07/16/68/567071668.db2.gz OORYZMGFENDLPY-UHFFFAOYSA-N -1 3 390.908 3.233 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1ccc(F)cc1Br ZINC000431295452 567071740 /nfs/dbraw/zinc/07/17/40/567071740.db2.gz PSMOXUSFYGUNSL-UHFFFAOYSA-N -1 3 386.242 3.097 20 0 GGADHM CCn1c(NC(=O)c2ccc(C(=O)OC)[n-]2)nc2cc(Br)ccc21 ZINC000496121222 567072614 /nfs/dbraw/zinc/07/26/14/567072614.db2.gz ZCRLIKPPRALRPJ-UHFFFAOYSA-N -1 3 391.225 3.186 20 0 GGADHM Cc1cnc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c(Br)c1 ZINC000521651094 567072748 /nfs/dbraw/zinc/07/27/48/567072748.db2.gz QZZHUWGJAGOAFG-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM CN(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000682832642 567073589 /nfs/dbraw/zinc/07/35/89/567073589.db2.gz BMPKSOZHHPJVAZ-VXGBXAGGSA-N -1 3 399.713 3.003 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)s1 ZINC000431308736 567073700 /nfs/dbraw/zinc/07/37/00/567073700.db2.gz MGFZLHLGMKHFMW-UHFFFAOYSA-N -1 3 377.894 3.248 20 0 GGADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(Br)cc1[O-] ZINC000431338753 567076845 /nfs/dbraw/zinc/07/68/45/567076845.db2.gz PRTKLJAOSYHRBX-CQDKDKBSSA-N -1 3 396.281 3.030 20 0 GGADHM CN(C)C(=O)C[C@@H](NCc1cc([O-])ccc1Br)c1ccccc1 ZINC000431363540 567077242 /nfs/dbraw/zinc/07/72/42/567077242.db2.gz QLIDXRCTAZMKHC-QGZVFWFLSA-N -1 3 377.282 3.464 20 0 GGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000521753118 567077618 /nfs/dbraw/zinc/07/76/18/567077618.db2.gz GVSDDCCJOUUAOR-OAHLLOKOSA-N -1 3 380.535 3.244 20 0 GGADHM CCCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@@H](CC)c1ccccc1 ZINC000521759316 567077652 /nfs/dbraw/zinc/07/76/52/567077652.db2.gz HSOAWKYKSUNRHV-INIZCTEOSA-N -1 3 380.535 3.416 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(F)ccc2Cl)s1 ZINC000431402176 567079829 /nfs/dbraw/zinc/07/98/29/567079829.db2.gz PRCBEUNPPNCMRV-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000545859370 567080975 /nfs/dbraw/zinc/08/09/75/567080975.db2.gz UBPQKRVPTVAAEJ-HNNXBMFYSA-N -1 3 381.416 3.111 20 0 GGADHM Brc1ccc([C@H](Cc2ccccn2)N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000473456505 567081629 /nfs/dbraw/zinc/08/16/29/567081629.db2.gz WHNOHVNGXGBENN-INIZCTEOSA-N -1 3 395.264 3.280 20 0 GGADHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000585711952 567082233 /nfs/dbraw/zinc/08/22/33/567082233.db2.gz VJPQOUJPUKIUBO-LBPRGKRZSA-N -1 3 378.947 3.155 20 0 GGADHM C[C@@H](Sc1ccccn1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000431451227 567083526 /nfs/dbraw/zinc/08/35/26/567083526.db2.gz IHUQMKQWNQSVRU-SNVBAGLBSA-N -1 3 377.267 3.033 20 0 GGADHM O=C(Cc1ccc(O)cc1Cl)N=c1cc2ccc(Br)cn2[n-]1 ZINC000431460642 567083585 /nfs/dbraw/zinc/08/35/85/567083585.db2.gz RVMWFEHEOWVHHI-UHFFFAOYSA-N -1 3 380.629 3.059 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C(C(C)C)C(C)C)c1OC ZINC000585737870 567084509 /nfs/dbraw/zinc/08/45/09/567084509.db2.gz QNEBSYQIUNGAJW-UHFFFAOYSA-N -1 3 377.890 3.094 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000545890508 567084900 /nfs/dbraw/zinc/08/49/00/567084900.db2.gz LTSYLCQBKWTZSX-GDBMZVCRSA-N -1 3 379.551 3.037 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([O-])ccc1Cl ZINC000565632166 567085253 /nfs/dbraw/zinc/08/52/53/567085253.db2.gz WCCZUEGLVKDEBH-HNNXBMFYSA-N -1 3 383.206 3.373 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1c(Cl)ccc2ccccc21 ZINC000545890587 567085340 /nfs/dbraw/zinc/08/53/40/567085340.db2.gz ZUEFXDLOVKMOCU-UHFFFAOYSA-N -1 3 391.758 3.374 20 0 GGADHM CCn1c2cc(Br)ccc2nc1[N-]C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000473512383 567085823 /nfs/dbraw/zinc/08/58/23/567085823.db2.gz XVEJIHVAONGNFK-LLVKDONJSA-N -1 3 393.285 3.016 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1C ZINC000521916486 567085950 /nfs/dbraw/zinc/08/59/50/567085950.db2.gz UREIPQDTTFMTCX-UHFFFAOYSA-N -1 3 376.507 3.122 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccncc2OCCC(C)(C)C)s1 ZINC000565648845 567086499 /nfs/dbraw/zinc/08/64/99/567086499.db2.gz LKTOTEAFEMABCR-UHFFFAOYSA-N -1 3 383.539 3.448 20 0 GGADHM CCn1ccc(CN(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000682948390 567088063 /nfs/dbraw/zinc/08/80/63/567088063.db2.gz UZRCMEFYTASOKT-UHFFFAOYSA-N -1 3 388.265 3.384 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(C)OCCc2sccc21 ZINC000521944180 567087909 /nfs/dbraw/zinc/08/79/09/567087909.db2.gz LBWHZWNFOBSJCJ-INIZCTEOSA-N -1 3 387.910 3.177 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2c(Cl)ccc(C(=O)OC)c2C)c1 ZINC000545927183 567088396 /nfs/dbraw/zinc/08/83/96/567088396.db2.gz VDVVIHCPFMEZHE-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM COc1ccc([O-])c(C(=O)NCc2nc3cc(Br)ccc3o2)c1 ZINC000521936779 567088721 /nfs/dbraw/zinc/08/87/21/567088721.db2.gz DQMJOLQPIRPJOG-UHFFFAOYSA-N -1 3 377.194 3.235 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CC[C@@H]4CCC[C@H]4C3)cc2N1 ZINC000565691035 567090146 /nfs/dbraw/zinc/09/01/46/567090146.db2.gz DJHBEUQZWAVTHA-SGMGOOAPSA-N -1 3 382.913 3.472 20 0 GGADHM C[C@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCO[C@H]1C1CC1 ZINC000545936498 567090635 /nfs/dbraw/zinc/09/06/35/567090635.db2.gz OWRJBALDOQHKOA-DOTOQJQBSA-N -1 3 383.286 3.159 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCCC2)c1 ZINC000497355170 567091367 /nfs/dbraw/zinc/09/13/67/567091367.db2.gz RUTKLQMOIAOUKN-UHFFFAOYSA-N -1 3 386.520 3.047 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)cs1 ZINC000683142192 567098381 /nfs/dbraw/zinc/09/83/81/567098381.db2.gz AEXCNZCJJODGGZ-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cn1nc(C(=O)[O-])cc1CN[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000635312458 567092706 /nfs/dbraw/zinc/09/27/06/567092706.db2.gz AORQPBZRFZCCFH-XYPYZODXSA-N -1 3 382.233 3.056 20 0 GGADHM COc1ccccc1-c1cc(=NC(=O)Cc2cccc(Br)c2)[nH][n-]1 ZINC000586756562 567092934 /nfs/dbraw/zinc/09/29/34/567092934.db2.gz WZKSCXHXWRYQIT-UHFFFAOYSA-N -1 3 386.249 3.451 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(C)(C)C ZINC000586759676 567093909 /nfs/dbraw/zinc/09/39/09/567093909.db2.gz DCTPEEJCGJFSQC-LLVKDONJSA-N -1 3 387.807 3.225 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000431582987 567093951 /nfs/dbraw/zinc/09/39/51/567093951.db2.gz BSRIDMDAOAODNV-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2csc3ccccc32)nc1C ZINC000586761290 567094061 /nfs/dbraw/zinc/09/40/61/567094061.db2.gz ARAJXYJJJURLDA-UHFFFAOYSA-N -1 3 396.515 3.321 20 0 GGADHM COCCN(Cc1c(C)nn(C)c1C)Cc1cc([O-])ccc1Br ZINC000453609654 567095950 /nfs/dbraw/zinc/09/59/50/567095950.db2.gz IJVNLPAWWLBMHB-UHFFFAOYSA-N -1 3 382.302 3.154 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000431606383 567095907 /nfs/dbraw/zinc/09/59/07/567095907.db2.gz DJPZUJVLIITHRD-UHFFFAOYSA-N -1 3 395.893 3.346 20 0 GGADHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000431634055 567097257 /nfs/dbraw/zinc/09/72/57/567097257.db2.gz LSXFVRQGBMEKDV-CYBMUJFWSA-N -1 3 382.913 3.324 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000683145353 567097421 /nfs/dbraw/zinc/09/74/21/567097421.db2.gz SKCGMYVCISFKHV-UHFFFAOYSA-N -1 3 396.734 3.465 20 0 GGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683143927 567097460 /nfs/dbraw/zinc/09/74/60/567097460.db2.gz NYSXNRSTOGOONC-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)s1 ZINC000683144511 567097493 /nfs/dbraw/zinc/09/74/93/567097493.db2.gz NBFKPKXQDHAPSY-ZJUUUORDSA-N -1 3 386.461 3.345 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683143930 567097548 /nfs/dbraw/zinc/09/75/48/567097548.db2.gz NYSXNRSTOGOONC-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000431623448 567097535 /nfs/dbraw/zinc/09/75/35/567097535.db2.gz SMBKAASMFMHAJK-NSHDSACASA-N -1 3 386.901 3.225 20 0 GGADHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000431626062 567097562 /nfs/dbraw/zinc/09/75/62/567097562.db2.gz SNVQBKFPYZEFGE-LLVKDONJSA-N -1 3 381.325 3.133 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc(Cl)cc(F)c2Br)[n-]1 ZINC000586811912 567098041 /nfs/dbraw/zinc/09/80/41/567098041.db2.gz ZANDPUCPTXEUGI-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)cc(F)c2Br)c[n-]1 ZINC000586811912 567098045 /nfs/dbraw/zinc/09/80/45/567098045.db2.gz ZANDPUCPTXEUGI-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000683142400 567098048 /nfs/dbraw/zinc/09/80/48/567098048.db2.gz RGORBJJSJAYQKZ-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000431641107 567099102 /nfs/dbraw/zinc/09/91/02/567099102.db2.gz UWHWHCAWOCXZKA-LLVKDONJSA-N -1 3 388.942 3.385 20 0 GGADHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000431641108 567099549 /nfs/dbraw/zinc/09/95/49/567099549.db2.gz UWHWHCAWOCXZKA-NSHDSACASA-N -1 3 388.942 3.385 20 0 GGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000565799256 567099497 /nfs/dbraw/zinc/09/94/97/567099497.db2.gz HHDUWRVSYJVLRM-VWLOTQADSA-N -1 3 377.853 3.356 20 0 GGADHM COc1cccc2c(C(=O)Nc3ccc(Cl)c(C[S@](C)=O)c3)n[n-]c21 ZINC000565799256 567099505 /nfs/dbraw/zinc/09/95/05/567099505.db2.gz HHDUWRVSYJVLRM-VWLOTQADSA-N -1 3 377.853 3.356 20 0 GGADHM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000431662675 567099754 /nfs/dbraw/zinc/09/97/54/567099754.db2.gz FQQMGWFPZDZMKG-UHFFFAOYSA-N -1 3 382.869 3.165 20 0 GGADHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)cn1 ZINC000522135287 567099945 /nfs/dbraw/zinc/09/99/45/567099945.db2.gz GUIFXDAVTCHDBO-JTQLQIEISA-N -1 3 390.278 3.405 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc(OC)c1 ZINC000683173851 567101041 /nfs/dbraw/zinc/10/10/41/567101041.db2.gz LQBXDPJGYOCGOO-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM O=C([O-])[C@@H](CNCc1cc(Br)cc2c1OCC2)Cc1ccccc1 ZINC000683172524 567101078 /nfs/dbraw/zinc/10/10/78/567101078.db2.gz WVCNQKVPRDBRJT-MRXNPFEDSA-N -1 3 390.277 3.417 20 0 GGADHM O=C([O-])[C@H](CNCc1cc(Br)cc2c1OCC2)Cc1ccccc1 ZINC000683172516 567101614 /nfs/dbraw/zinc/10/16/14/567101614.db2.gz WVCNQKVPRDBRJT-INIZCTEOSA-N -1 3 390.277 3.417 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 ZINC000497521585 567103239 /nfs/dbraw/zinc/10/32/39/567103239.db2.gz KNVBDZRBPDMOEK-GOEBONIOSA-N -1 3 389.851 3.164 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000588173056 567119229 /nfs/dbraw/zinc/11/92/29/567119229.db2.gz IWCCRSJXGFCSKM-GXSJLCMTSA-N -1 3 382.707 3.338 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000431754085 567105977 /nfs/dbraw/zinc/10/59/77/567105977.db2.gz XODJRGSBAZOHCB-UHFFFAOYSA-N -1 3 377.853 3.374 20 0 GGADHM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]2CCCC[C@@H]12 ZINC000522214416 567106786 /nfs/dbraw/zinc/10/67/86/567106786.db2.gz NCRMSIPNFUEWTH-FRRDWIJNSA-N -1 3 390.958 3.107 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCc2ccccc21 ZINC000522215258 567107263 /nfs/dbraw/zinc/10/72/63/567107263.db2.gz NEHUUAWQPUMIJG-AWEZNQCLSA-N -1 3 398.937 3.216 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1cc(F)cc(F)c1 ZINC000588005231 567107740 /nfs/dbraw/zinc/10/77/40/567107740.db2.gz NZJDADJSWDIEDZ-UHFFFAOYSA-N -1 3 381.429 3.004 20 0 GGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000473852501 567107928 /nfs/dbraw/zinc/10/79/28/567107928.db2.gz BPMVWEPMJORQKS-UHFFFAOYSA-N -1 3 378.256 3.226 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCC(=O)N2CCc3ccccc32)sc1Cl ZINC000473854330 567108073 /nfs/dbraw/zinc/10/80/73/567108073.db2.gz KDJDEBGPTJQUGV-UHFFFAOYSA-N -1 3 398.937 3.358 20 0 GGADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(C)c(Cl)s3)C2)c1 ZINC000473856939 567108200 /nfs/dbraw/zinc/10/82/00/567108200.db2.gz MUTLUJJEGHNVCO-GFCCVEGCSA-N -1 3 386.926 3.276 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)sc1Cl ZINC000473854821 567108254 /nfs/dbraw/zinc/10/82/54/567108254.db2.gz KWXBSKZJFLGSDE-NEPJUHHUSA-N -1 3 378.947 3.072 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1nnc2n1CCCCC2 ZINC000473852499 567108584 /nfs/dbraw/zinc/10/85/84/567108584.db2.gz BOVVHMRQXNFHEF-NSHDSACASA-N -1 3 388.946 3.457 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)oc1C ZINC000431807142 567108603 /nfs/dbraw/zinc/10/86/03/567108603.db2.gz FRFNIZPARODKFP-UHFFFAOYSA-N -1 3 383.853 3.038 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1nnc2n1CCCCC2 ZINC000473852495 567108666 /nfs/dbraw/zinc/10/86/66/567108666.db2.gz BOVVHMRQXNFHEF-LLVKDONJSA-N -1 3 388.946 3.457 20 0 GGADHM O=C(NCc1ccc(Br)cc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000431794268 567108919 /nfs/dbraw/zinc/10/89/19/567108919.db2.gz JXTBDRWRJAZZRK-UHFFFAOYSA-N -1 3 383.608 3.443 20 0 GGADHM O=C(NCc1ccc(Br)cc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000431794268 567108921 /nfs/dbraw/zinc/10/89/21/567108921.db2.gz JXTBDRWRJAZZRK-UHFFFAOYSA-N -1 3 383.608 3.443 20 0 GGADHM O=C(NCc1ccc(Br)cc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000431794268 567108928 /nfs/dbraw/zinc/10/89/28/567108928.db2.gz JXTBDRWRJAZZRK-UHFFFAOYSA-N -1 3 383.608 3.443 20 0 GGADHM COC[C@@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000683260728 567109300 /nfs/dbraw/zinc/10/93/00/567109300.db2.gz CKROWIXTHRONJJ-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM COC[C@@H]1CCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000683260728 567109307 /nfs/dbraw/zinc/10/93/07/567109307.db2.gz CKROWIXTHRONJJ-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM C[C@H]1COCCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000683262149 567109358 /nfs/dbraw/zinc/10/93/58/567109358.db2.gz WMCFBAOAWLIGFF-VIFPVBQESA-N -1 3 399.672 3.195 20 0 GGADHM C[C@H]1COCCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000683262149 567109364 /nfs/dbraw/zinc/10/93/64/567109364.db2.gz WMCFBAOAWLIGFF-VIFPVBQESA-N -1 3 399.672 3.195 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(C)cc1 ZINC000473862442 567109612 /nfs/dbraw/zinc/10/96/12/567109612.db2.gz LPZNFDZGSOLLBX-ZDUSSCGKSA-N -1 3 387.910 3.253 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2cc(F)c(Br)c(Cl)c2)on1 ZINC000588070825 567110519 /nfs/dbraw/zinc/11/05/19/567110519.db2.gz QPSZYLGGJRMIHU-UHFFFAOYSA-N -1 3 377.553 3.269 20 0 GGADHM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473905325 567112683 /nfs/dbraw/zinc/11/26/83/567112683.db2.gz MQKHDWMYGZXCJP-CYBMUJFWSA-N -1 3 387.910 3.163 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)oc1C ZINC000473905957 567113024 /nfs/dbraw/zinc/11/30/24/567113024.db2.gz GPZPFOAKVUJXIH-UHFFFAOYSA-N -1 3 396.223 3.299 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)s1 ZINC000546172215 567113156 /nfs/dbraw/zinc/11/31/56/567113156.db2.gz MLWKPRLOYVPFPV-GFCCVEGCSA-N -1 3 386.292 3.425 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccc(Br)c(F)c1 ZINC000546183906 567113208 /nfs/dbraw/zinc/11/32/08/567113208.db2.gz CYTKDTWXBMKQOT-NSHDSACASA-N -1 3 380.279 3.216 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccc(F)cc2)N(C)C)sc1Cl ZINC000473904222 567113255 /nfs/dbraw/zinc/11/32/55/567113255.db2.gz YQONOHFERNJZAL-CYBMUJFWSA-N -1 3 376.906 3.430 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)sc1Cl ZINC000473906348 567113267 /nfs/dbraw/zinc/11/32/67/567113267.db2.gz KFZMEXPTTUFHCF-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2csc([C@H]3CCCO3)n2)c1[O-] ZINC000588096862 567113609 /nfs/dbraw/zinc/11/36/09/567113609.db2.gz OPRMAIBFDPMZAE-GFCCVEGCSA-N -1 3 382.825 3.393 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccc(Cl)c1 ZINC000431889931 567113726 /nfs/dbraw/zinc/11/37/26/567113726.db2.gz AMUSHNRRHVMPCI-GFCCVEGCSA-N -1 3 391.251 3.028 20 0 GGADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cc2n(n1)CCCO2 ZINC000683323752 567113924 /nfs/dbraw/zinc/11/39/24/567113924.db2.gz PUPGFPOCKUQRNH-UHFFFAOYSA-N -1 3 375.841 3.014 20 0 GGADHM CCCNC(=O)C1([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCCCC1 ZINC000473916761 567114212 /nfs/dbraw/zinc/11/42/12/567114212.db2.gz ANDDDSKBBVWQCB-UHFFFAOYSA-N -1 3 378.947 3.217 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc3c(C)nn(C)c3s2)c1[O-] ZINC000588099161 567114146 /nfs/dbraw/zinc/11/41/46/567114146.db2.gz JHINYQLOVIVRHP-UHFFFAOYSA-N -1 3 379.825 3.341 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cncc(Br)c2)c1[O-] ZINC000588095529 567114448 /nfs/dbraw/zinc/11/44/48/567114448.db2.gz VOLMWTUTBHSGNA-UHFFFAOYSA-N -1 3 385.601 3.242 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)sc1Cl ZINC000473917614 567114512 /nfs/dbraw/zinc/11/45/12/567114512.db2.gz GXZWFEXHAXOIRL-UHFFFAOYSA-N -1 3 381.910 3.417 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)N(C)C)c2ccccc2)sc1Cl ZINC000473912065 567114613 /nfs/dbraw/zinc/11/46/13/567114613.db2.gz MAPTVJUFLUIBLE-CYBMUJFWSA-N -1 3 386.926 3.208 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCNC(=O)CC2CCCCC2)sc1Cl ZINC000473914650 567114667 /nfs/dbraw/zinc/11/46/67/567114667.db2.gz ZUCISKOHVYOXBJ-UHFFFAOYSA-N -1 3 378.947 3.075 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1CCC(=O)C1 ZINC000565952769 567114688 /nfs/dbraw/zinc/11/46/88/567114688.db2.gz GTOQNUFMPKOQQB-QMMMGPOBSA-N -1 3 382.645 3.222 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)N2CCc3sccc3C2)sc1Cl ZINC000473915269 567114717 /nfs/dbraw/zinc/11/47/17/567114717.db2.gz YVNSHSQISSZABR-NSHDSACASA-N -1 3 390.983 3.497 20 0 GGADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000565991661 567115770 /nfs/dbraw/zinc/11/57/70/567115770.db2.gz YLEPEYOWBDUYQB-UHFFFAOYSA-N -1 3 388.638 3.106 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)s1 ZINC000473941618 567117193 /nfs/dbraw/zinc/11/71/93/567117193.db2.gz BDYOEPVVJBPXSY-MNOVXSKESA-N -1 3 395.388 3.218 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)c(Cl)c1Cl ZINC000473940631 567117029 /nfs/dbraw/zinc/11/70/29/567117029.db2.gz OXWQINTWXAOMDA-LLVKDONJSA-N -1 3 381.325 3.155 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CCOc2c(Cl)cc(Cl)cc2Cl)cn1C ZINC000431910977 567117313 /nfs/dbraw/zinc/11/73/13/567117313.db2.gz GDLUEKURHPEFIS-UHFFFAOYSA-N -1 3 398.699 3.046 20 0 GGADHM COC(=O)CCC1CCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000546256319 567117420 /nfs/dbraw/zinc/11/74/20/567117420.db2.gz WFBIOMUBQGWQJB-UHFFFAOYSA-N -1 3 386.286 3.329 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@@H](C)C2)s1 ZINC000473941617 567117567 /nfs/dbraw/zinc/11/75/67/567117567.db2.gz BDYOEPVVJBPXSY-GHMZBOCLSA-N -1 3 395.388 3.218 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC2CCCC2)sc1Cl ZINC000473937471 567117877 /nfs/dbraw/zinc/11/78/77/567117877.db2.gz NHPFJZRXPRCJHE-UHFFFAOYSA-N -1 3 378.947 3.073 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@H]2C)c1Cl ZINC000588171774 567119183 /nfs/dbraw/zinc/11/91/83/567119183.db2.gz TULUTTSKCIYVCD-VXGBXAGGSA-N -1 3 393.336 3.370 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1Br ZINC000473951731 567119826 /nfs/dbraw/zinc/11/98/26/567119826.db2.gz OZODPMWGPYYNRI-CQSZACIVSA-N -1 3 391.313 3.007 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(CCC(F)(F)F)no2)ccc1F ZINC000546287301 567120418 /nfs/dbraw/zinc/12/04/18/567120418.db2.gz GSIHOZXBZHJQQW-UHFFFAOYSA-N -1 3 381.351 3.057 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000588230876 567121906 /nfs/dbraw/zinc/12/19/06/567121906.db2.gz ZRDFJNMRFWJPTO-ZBFHGGJFSA-N -1 3 389.249 3.399 20 0 GGADHM Cc1cncc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000546312493 567122680 /nfs/dbraw/zinc/12/26/80/567122680.db2.gz JLMQWTSPXZIXOB-NSHDSACASA-N -1 3 378.841 3.133 20 0 GGADHM O=C(Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1cnn[n-]1 ZINC000522631208 567123251 /nfs/dbraw/zinc/12/32/51/567123251.db2.gz PHUZNYDJSDIJNY-UHFFFAOYSA-N -1 3 377.191 3.011 20 0 GGADHM O=C(Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1c[n-]nn1 ZINC000522631208 567123259 /nfs/dbraw/zinc/12/32/59/567123259.db2.gz PHUZNYDJSDIJNY-UHFFFAOYSA-N -1 3 377.191 3.011 20 0 GGADHM O=C(Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1cn[n-]n1 ZINC000522631208 567123266 /nfs/dbraw/zinc/12/32/66/567123266.db2.gz PHUZNYDJSDIJNY-UHFFFAOYSA-N -1 3 377.191 3.011 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1ccc(F)cc1Br ZINC000614606227 567126667 /nfs/dbraw/zinc/12/66/67/567126667.db2.gz DBVFURDFSSTMRM-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1cccc(Cl)c1F ZINC000614613147 567126733 /nfs/dbraw/zinc/12/67/33/567126733.db2.gz BIUQVWVXIYRRDW-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432051510 567127304 /nfs/dbraw/zinc/12/73/04/567127304.db2.gz FMKSWMYLIVXRHF-UHFFFAOYSA-N -1 3 385.800 3.269 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000432045960 567127314 /nfs/dbraw/zinc/12/73/14/567127314.db2.gz HECVDPHSYLNKGR-UHFFFAOYSA-N -1 3 385.800 3.269 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1 ZINC000432045087 567127581 /nfs/dbraw/zinc/12/75/81/567127581.db2.gz CIQDEZSEZZVGIL-UHFFFAOYSA-N -1 3 383.853 3.372 20 0 GGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000522754253 567128290 /nfs/dbraw/zinc/12/82/90/567128290.db2.gz UPUPRZMGGYENNS-UHFFFAOYSA-N -1 3 377.865 3.412 20 0 GGADHM CSc1nnc(NC(=O)COc2ccc3cc(Br)ccc3c2)[n-]1 ZINC000522721915 567128373 /nfs/dbraw/zinc/12/83/73/567128373.db2.gz PZVCWFZYXNGZGU-UHFFFAOYSA-N -1 3 393.266 3.460 20 0 GGADHM CSc1n[n-]c(NC(=O)COc2ccc3cc(Br)ccc3c2)n1 ZINC000522721915 567128376 /nfs/dbraw/zinc/12/83/76/567128376.db2.gz PZVCWFZYXNGZGU-UHFFFAOYSA-N -1 3 393.266 3.460 20 0 GGADHM CSc1nc(NC(=O)COc2ccc3cc(Br)ccc3c2)n[n-]1 ZINC000522721915 567128384 /nfs/dbraw/zinc/12/83/84/567128384.db2.gz PZVCWFZYXNGZGU-UHFFFAOYSA-N -1 3 393.266 3.460 20 0 GGADHM O=S(=O)([N-]Cc1nc(CSCc2ccccc2)no1)c1cccs1 ZINC000546444778 567128956 /nfs/dbraw/zinc/12/89/56/567128956.db2.gz GOKXAFRIJVTXFJ-UHFFFAOYSA-N -1 3 381.504 3.043 20 0 GGADHM O=C(COc1ccc(Br)cc1F)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497875249 567129477 /nfs/dbraw/zinc/12/94/77/567129477.db2.gz RBBMNUUNCFPYIY-UHFFFAOYSA-N -1 3 390.212 3.418 20 0 GGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(Cl)sc3Cl)cn2c1 ZINC000614638821 567130367 /nfs/dbraw/zinc/13/03/67/567130367.db2.gz QSVIPMIUEWYDCD-UHFFFAOYSA-N -1 3 376.290 3.490 20 0 GGADHM CSc1ccc([O-])c(C(=O)N(CCn2ccnc2)C2CCSCC2)c1 ZINC000614668883 567130438 /nfs/dbraw/zinc/13/04/38/567130438.db2.gz JEOGXSMUCWDJBE-UHFFFAOYSA-N -1 3 377.535 3.349 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C)c(Br)c2)no1 ZINC000546496681 567133284 /nfs/dbraw/zinc/13/32/84/567133284.db2.gz YINZHQGJZFQQLM-UHFFFAOYSA-N -1 3 388.287 3.027 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C)c1nc(C)cs1 ZINC000474097748 567134426 /nfs/dbraw/zinc/13/44/26/567134426.db2.gz PZBKAIDVOUEWOW-CQSZACIVSA-N -1 3 382.507 3.285 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@@H](O)C(F)(F)F ZINC000497950984 567135870 /nfs/dbraw/zinc/13/58/70/567135870.db2.gz OCSXKSUAMVFYGP-TZMCWYRMSA-N -1 3 381.803 3.473 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)s1 ZINC000546540479 567136190 /nfs/dbraw/zinc/13/61/90/567136190.db2.gz SYPAOOSORAVMDX-HNNXBMFYSA-N -1 3 396.925 3.215 20 0 GGADHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2)c2ccc(Cl)cc2)n1 ZINC000546536983 567136296 /nfs/dbraw/zinc/13/62/96/567136296.db2.gz GZFDKBXFHMOPRW-KRWDZBQOSA-N -1 3 379.844 3.281 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H](O)C(F)(F)F ZINC000497969210 567136988 /nfs/dbraw/zinc/13/69/88/567136988.db2.gz QXKIGUIPITXWPN-WPRPVWTQSA-N -1 3 399.740 3.339 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)Cc1ccc(F)c(Br)c1)C2 ZINC000636284592 567137087 /nfs/dbraw/zinc/13/70/87/567137087.db2.gz QPPAXQLRWJCFPZ-SECBINFHSA-N -1 3 394.244 3.113 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](C)Sc1ccc(Br)cc1)C2 ZINC000636283442 567137797 /nfs/dbraw/zinc/13/77/97/567137797.db2.gz KFVSWLKHPHJAQM-SECBINFHSA-N -1 3 394.294 3.276 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H](O)C(F)(F)F ZINC000497969209 567137955 /nfs/dbraw/zinc/13/79/55/567137955.db2.gz QXKIGUIPITXWPN-WCBMZHEXSA-N -1 3 399.740 3.339 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cc1csc(-c3ccc(Cl)s3)n1)C2 ZINC000636283429 567138225 /nfs/dbraw/zinc/13/82/25/567138225.db2.gz JYPCPTSFMPFMGW-UHFFFAOYSA-N -1 3 392.893 3.414 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)C2 ZINC000636282943 567138251 /nfs/dbraw/zinc/13/82/51/567138251.db2.gz YBTHWEGPNVQWDX-UHFFFAOYSA-N -1 3 388.638 3.372 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nc(-c3cccs3)ns2)ccc1F ZINC000497973474 567138434 /nfs/dbraw/zinc/13/84/34/567138434.db2.gz BGKOSNBGKNEZOQ-UHFFFAOYSA-N -1 3 398.466 3.030 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000474131985 567138456 /nfs/dbraw/zinc/13/84/56/567138456.db2.gz KIJAAKQZNURVNF-XJKSGUPXSA-N -1 3 396.306 3.367 20 0 GGADHM O=c1cc(-c2noc([C@H]3C[C@@]34CCc3cc(Br)ccc34)n2)nc[n-]1 ZINC000566217715 567138655 /nfs/dbraw/zinc/13/86/55/567138655.db2.gz VIXQPGHHSOQHHE-SJKOYZFVSA-N -1 3 385.221 3.366 20 0 GGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1Cl)c1ccccc1 ZINC000497980964 567139048 /nfs/dbraw/zinc/13/90/48/567139048.db2.gz DCOKIZOBXPRPGZ-SUMWQHHRSA-N -1 3 381.881 3.477 20 0 GGADHM CCn1cc(Br)cc1C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000522970755 567139208 /nfs/dbraw/zinc/13/92/08/567139208.db2.gz JGHXHLSYIXESEU-UHFFFAOYSA-N -1 3 390.241 3.317 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C[C@H](C)c1ccc(F)c(Br)c1)C2 ZINC000636287019 567140003 /nfs/dbraw/zinc/14/00/03/567140003.db2.gz RUBZRCBVPRMLFE-VIFPVBQESA-N -1 3 394.244 3.428 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1sccc1Br)N1CCCC[C@H]1C ZINC000614799216 567140123 /nfs/dbraw/zinc/14/01/23/567140123.db2.gz HZFFFFFTGHJMBY-GHMZBOCLSA-N -1 3 381.361 3.052 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)s1 ZINC000546598519 567140994 /nfs/dbraw/zinc/14/09/94/567140994.db2.gz IPAMEECYLWDEAD-YJBOKZPZSA-N -1 3 380.535 3.460 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@H](O)C(F)(F)F ZINC000497983481 567141028 /nfs/dbraw/zinc/14/10/28/567141028.db2.gz NCXCLMZCIAXRPZ-JSGCOSHPSA-N -1 3 381.803 3.473 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(SC)cc2)c(F)c1 ZINC000546606820 567141941 /nfs/dbraw/zinc/14/19/41/567141941.db2.gz KJAHLNOOIRHDDS-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(Cl)cc2Cl)cn1C ZINC000474157856 567142064 /nfs/dbraw/zinc/14/20/64/567142064.db2.gz KUQLQXSTGVUERV-UHFFFAOYSA-N -1 3 376.309 3.335 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)s1 ZINC000432257969 567142287 /nfs/dbraw/zinc/14/22/87/567142287.db2.gz IPXWXSUTALTTHW-UHFFFAOYSA-N -1 3 375.418 3.125 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318585 567142426 /nfs/dbraw/zinc/14/24/26/567142426.db2.gz ZHXZFYZIVUKKLQ-UHFFFAOYSA-N -1 3 382.247 3.452 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318953 567142446 /nfs/dbraw/zinc/14/24/46/567142446.db2.gz GQHXZNUCYYNTDO-UHFFFAOYSA-N -1 3 382.247 3.452 20 0 GGADHM CSc1ccc([O-])c(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000636332224 567142590 /nfs/dbraw/zinc/14/25/90/567142590.db2.gz YWVXQRSAZORIQI-LBPRGKRZSA-N -1 3 379.503 3.051 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C1CC2(CCC2)C1 ZINC000566268980 567143537 /nfs/dbraw/zinc/14/35/37/567143537.db2.gz ALEJQCKICYFNOA-UHFFFAOYSA-N -1 3 386.876 3.439 20 0 GGADHM O=C(COc1ccc(Cl)cc1Cl)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317770 567143704 /nfs/dbraw/zinc/14/37/04/567143704.db2.gz LDDKNMPWMWPNPI-UHFFFAOYSA-N -1 3 382.247 3.452 20 0 GGADHM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000474173742 567143842 /nfs/dbraw/zinc/14/38/42/567143842.db2.gz JRZMLMGZZZTQLK-JTQLQIEISA-N -1 3 398.834 3.037 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)[n-]1 ZINC000566263248 567143994 /nfs/dbraw/zinc/14/39/94/567143994.db2.gz ZVGHOYAOCUFIJB-SLDGDWOWSA-N -1 3 380.208 3.158 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1C ZINC000546634229 567144180 /nfs/dbraw/zinc/14/41/80/567144180.db2.gz WDLCUSWJILEHLQ-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2c(Cl)cccc2OC)s1 ZINC000498021122 567144228 /nfs/dbraw/zinc/14/42/28/567144228.db2.gz AZQLQSHVSFRKFY-UHFFFAOYSA-N -1 3 387.870 3.108 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(F)c1)c1cccc(Br)c1 ZINC000588907731 567144310 /nfs/dbraw/zinc/14/43/10/567144310.db2.gz ALPLQTXOPVHKFB-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000588920904 567144672 /nfs/dbraw/zinc/14/46/72/567144672.db2.gz APRPTKCQWDLSFI-YFKPBYRVSA-N -1 3 397.126 3.131 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000588920904 567144673 /nfs/dbraw/zinc/14/46/73/567144673.db2.gz APRPTKCQWDLSFI-YFKPBYRVSA-N -1 3 397.126 3.131 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000588920903 567144885 /nfs/dbraw/zinc/14/48/85/567144885.db2.gz APRPTKCQWDLSFI-RXMQYKEDSA-N -1 3 397.126 3.131 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000588920903 567144891 /nfs/dbraw/zinc/14/48/91/567144891.db2.gz APRPTKCQWDLSFI-RXMQYKEDSA-N -1 3 397.126 3.131 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)c1 ZINC000546624638 567144830 /nfs/dbraw/zinc/14/48/30/567144830.db2.gz ZZCBXMPITHUEII-UHFFFAOYSA-N -1 3 381.881 3.375 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO[C@@H]1C1CC1 ZINC000546633667 567144950 /nfs/dbraw/zinc/14/49/50/567144950.db2.gz HRWQJAWXZHKTTH-CABCVRRESA-N -1 3 392.290 3.072 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000432288023 567145417 /nfs/dbraw/zinc/14/54/17/567145417.db2.gz WRVPDOLDBPKFLN-CQSZACIVSA-N -1 3 375.416 3.479 20 0 GGADHM O=C([O-])c1cnccc1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000566292905 567147541 /nfs/dbraw/zinc/14/75/41/567147541.db2.gz XOLAGTYLNQMKIP-UHFFFAOYSA-N -1 3 390.281 3.041 20 0 GGADHM Cn1ncc(Cl)c1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432307444 567148913 /nfs/dbraw/zinc/14/89/13/567148913.db2.gz QNWWASRXMPUQEY-LLVKDONJSA-N -1 3 381.807 3.088 20 0 GGADHM CSc1nnc(NC(=O)c2ccc(Cl)c(I)c2)[n-]1 ZINC000523312160 567149544 /nfs/dbraw/zinc/14/95/44/567149544.db2.gz FJXUHFONPYAYSV-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1n[n-]c(NC(=O)c2ccc(Cl)c(I)c2)n1 ZINC000523312160 567149547 /nfs/dbraw/zinc/14/95/47/567149547.db2.gz FJXUHFONPYAYSV-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1nc(NC(=O)c2ccc(Cl)c(I)c2)n[n-]1 ZINC000523312160 567149553 /nfs/dbraw/zinc/14/95/53/567149553.db2.gz FJXUHFONPYAYSV-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000546677373 567149648 /nfs/dbraw/zinc/14/96/48/567149648.db2.gz LDINYIZZOGMYPP-SNVBAGLBSA-N -1 3 378.841 3.012 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2CCCO[C@@H](C)C2)c1Cl ZINC000432318198 567149727 /nfs/dbraw/zinc/14/97/27/567149727.db2.gz QDDCGWYRZHRWFW-ZDUSSCGKSA-N -1 3 395.352 3.081 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C(C)(C)c3cnn(C)c3)s2)cs1 ZINC000546705876 567150931 /nfs/dbraw/zinc/15/09/31/567150931.db2.gz OHLNXQICDFDZKT-UHFFFAOYSA-N -1 3 382.536 3.127 20 0 GGADHM C[C@@H]1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000546715660 567151536 /nfs/dbraw/zinc/15/15/36/567151536.db2.gz ZVADTMNDXCMCKM-OLZOCXBDSA-N -1 3 398.575 3.454 20 0 GGADHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C2 ZINC000683760448 567151586 /nfs/dbraw/zinc/15/15/86/567151586.db2.gz LQUVZSANDUQHMZ-HNNXBMFYSA-N -1 3 381.881 3.193 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(=O)Nc1ccccc1 ZINC000683760274 567152219 /nfs/dbraw/zinc/15/22/19/567152219.db2.gz HGOJWSQQNOJSCR-UHFFFAOYSA-N -1 3 382.869 3.044 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)n(C2CCN(C)CC2)n1 ZINC000432360959 567153510 /nfs/dbraw/zinc/15/35/10/567153510.db2.gz WSVDLZSXKPCPAC-UHFFFAOYSA-N -1 3 386.880 3.052 20 0 GGADHM COc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(Br)c1 ZINC000589068409 567154415 /nfs/dbraw/zinc/15/44/15/567154415.db2.gz FZVQZSDELDDCQC-UHFFFAOYSA-N -1 3 380.242 3.141 20 0 GGADHM O=C(Nc1ccc(I)cc1)c1cc(C(F)(F)F)n[n-]1 ZINC000566391572 567155186 /nfs/dbraw/zinc/15/51/86/567155186.db2.gz JLNNYGCDKCLOOF-UHFFFAOYSA-N -1 3 381.095 3.285 20 0 GGADHM O=C(Nc1ccc(I)cc1)c1cc(C(F)(F)F)[n-]n1 ZINC000566391572 567155191 /nfs/dbraw/zinc/15/51/91/567155191.db2.gz JLNNYGCDKCLOOF-UHFFFAOYSA-N -1 3 381.095 3.285 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n(C2CCN(C)CC2)n1 ZINC000432370041 567155187 /nfs/dbraw/zinc/15/51/87/567155187.db2.gz DRNJPBJLZXJXFY-UHFFFAOYSA-N -1 3 386.880 3.052 20 0 GGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1 ZINC000566396146 567156013 /nfs/dbraw/zinc/15/60/13/567156013.db2.gz WVPFXVOXBZSOIG-UHFFFAOYSA-N -1 3 382.869 3.241 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C)CCCC2)cc1 ZINC000523409523 567156206 /nfs/dbraw/zinc/15/62/06/567156206.db2.gz BUHWOYQJBIWILC-UHFFFAOYSA-N -1 3 388.555 3.087 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000566406651 567156059 /nfs/dbraw/zinc/15/60/59/567156059.db2.gz GYAZWNNDGQKFEW-CYBMUJFWSA-N -1 3 383.853 3.068 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1 ZINC000523418511 567157609 /nfs/dbraw/zinc/15/76/09/567157609.db2.gz WVVFCKMXCFVYPS-MRXNPFEDSA-N -1 3 388.555 3.182 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000546780414 567157877 /nfs/dbraw/zinc/15/78/77/567157877.db2.gz DGUJPXURIIZPMT-SECBINFHSA-N -1 3 397.913 3.034 20 0 GGADHM O=S(=O)([N-]CCOc1ncc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000474302558 567157912 /nfs/dbraw/zinc/15/79/12/567157912.db2.gz MAUCLEQYVQBQQJ-UHFFFAOYSA-N -1 3 387.697 3.461 20 0 GGADHM COc1cc(Br)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000566435826 567158980 /nfs/dbraw/zinc/15/89/80/567158980.db2.gz PNWUSHQZKIGDAM-UHFFFAOYSA-N -1 3 394.225 3.092 20 0 GGADHM O=C(NCc1cccc(Br)c1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566466473 567160687 /nfs/dbraw/zinc/16/06/87/567160687.db2.gz NMDQOYPLFPURHP-UHFFFAOYSA-N -1 3 382.645 3.406 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(Cl)cc2)cn1C ZINC000589166004 567160750 /nfs/dbraw/zinc/16/07/50/567160750.db2.gz JFQOWBVUKKKPLE-SFHVURJKSA-N -1 3 375.881 3.450 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccc(Br)cc2)C2CCC2)cn1C ZINC000589167903 567162201 /nfs/dbraw/zinc/16/22/01/567162201.db2.gz ITZPQDCXBODJQZ-MRXNPFEDSA-N -1 3 398.326 3.311 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1Cl ZINC000683924895 567162295 /nfs/dbraw/zinc/16/22/95/567162295.db2.gz QLSZMPWRSHAQHB-UHFFFAOYSA-N -1 3 382.869 3.441 20 0 GGADHM C[C@H]1C[C@@H]([N-]c2nc3cc(Cl)cc(Cl)c3o2)C(=O)N1c1cnn(C)c1 ZINC000683932813 567162640 /nfs/dbraw/zinc/16/26/40/567162640.db2.gz MNHLIZHBWRHKSR-ISVAXAHUSA-N -1 3 380.235 3.474 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)cn1C ZINC000589169173 567162718 /nfs/dbraw/zinc/16/27/18/567162718.db2.gz VEYFUAFEPUNXDM-OAHLLOKOSA-N -1 3 375.416 3.423 20 0 GGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000474374929 567163963 /nfs/dbraw/zinc/16/39/63/567163963.db2.gz HTHIJSRCDNJYQG-UHFFFAOYSA-N -1 3 397.250 3.077 20 0 GGADHM C[C@H]1CC=C(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC1 ZINC000454331205 567164214 /nfs/dbraw/zinc/16/42/14/567164214.db2.gz AASSFKOWOIRSLV-NSHDSACASA-N -1 3 376.400 3.212 20 0 GGADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474375938 567165205 /nfs/dbraw/zinc/16/52/05/567165205.db2.gz LVMHTVNFZZAFOE-GXFFZTMASA-N -1 3 379.309 3.064 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2)CCN1c1ccc(Cl)cc1Cl ZINC000474384021 567165589 /nfs/dbraw/zinc/16/55/89/567165589.db2.gz HIIWBGQXRJFUFK-HNNXBMFYSA-N -1 3 399.299 3.218 20 0 GGADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CC(C)C)c1ccc(Cl)cc1 ZINC000474387958 567166451 /nfs/dbraw/zinc/16/64/51/567166451.db2.gz DNLJJOJAIFTQJM-UHFFFAOYSA-N -1 3 385.873 3.091 20 0 GGADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CC(C)C)c1ccc(Cl)cc1 ZINC000474387958 567166457 /nfs/dbraw/zinc/16/64/57/567166457.db2.gz DNLJJOJAIFTQJM-UHFFFAOYSA-N -1 3 385.873 3.091 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)c1 ZINC000474386709 567166967 /nfs/dbraw/zinc/16/69/67/567166967.db2.gz DVOQVRUNLHTAJY-SECBINFHSA-N -1 3 383.422 3.460 20 0 GGADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523694357 567166986 /nfs/dbraw/zinc/16/69/86/567166986.db2.gz MAGZASJQVUCWOE-CYBMUJFWSA-N -1 3 376.869 3.014 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(C)C ZINC000474387083 567167094 /nfs/dbraw/zinc/16/70/94/567167094.db2.gz AMKQFIIUXUWMBF-HIFRSBDPSA-N -1 3 393.933 3.093 20 0 GGADHM CCOC(=O)c1nnc(-c2cccc(CNCc3ncc(Cl)s3)c2)[n-]1 ZINC000589202305 567167071 /nfs/dbraw/zinc/16/70/71/567167071.db2.gz UQSHIOLGSVKFKL-UHFFFAOYSA-N -1 3 377.857 3.048 20 0 GGADHM CCOC(=O)c1nc(-c2cccc(CNCc3ncc(Cl)s3)c2)n[n-]1 ZINC000589202305 567167077 /nfs/dbraw/zinc/16/70/77/567167077.db2.gz UQSHIOLGSVKFKL-UHFFFAOYSA-N -1 3 377.857 3.048 20 0 GGADHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3ncc(Cl)s3)c2)n1 ZINC000589202305 567167082 /nfs/dbraw/zinc/16/70/82/567167082.db2.gz UQSHIOLGSVKFKL-UHFFFAOYSA-N -1 3 377.857 3.048 20 0 GGADHM COCc1nc(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)n[n-]1 ZINC000474394028 567168408 /nfs/dbraw/zinc/16/84/08/567168408.db2.gz NVOWWGBKBZATFU-NSHDSACASA-N -1 3 381.527 3.254 20 0 GGADHM COc1ccc(CNCc2cn3cccc(C)c3n2)c(Br)c1[O-] ZINC000546882136 567168341 /nfs/dbraw/zinc/16/83/41/567168341.db2.gz SWOSEACPWXVKQK-UHFFFAOYSA-N -1 3 376.254 3.409 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC000546880531 567168565 /nfs/dbraw/zinc/16/85/65/567168565.db2.gz ZTDVJGOQIKLCBZ-UHFFFAOYSA-N -1 3 378.416 3.435 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2c(C)cccc2C)s1 ZINC000546884452 567168738 /nfs/dbraw/zinc/16/87/38/567168738.db2.gz LIXUNBYRXVKQDD-LBPRGKRZSA-N -1 3 383.491 3.200 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000589235160 567170051 /nfs/dbraw/zinc/17/00/51/567170051.db2.gz NEUXMAKQSGAQDZ-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000546889269 567170207 /nfs/dbraw/zinc/17/02/07/567170207.db2.gz MFCIGPGHRATPID-MRVPVSSYSA-N -1 3 390.221 3.467 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1cc(Br)ccc1Cl ZINC000566602575 567171885 /nfs/dbraw/zinc/17/18/85/567171885.db2.gz RUOVVYJZQQOOJN-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)[N-]S(=O)(=O)c1cccs1 ZINC000615246645 567172980 /nfs/dbraw/zinc/17/29/80/567172980.db2.gz NAGVJBFNJDNQRC-KRWDZBQOSA-N -1 3 378.563 3.499 20 0 GGADHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000615245790 567173392 /nfs/dbraw/zinc/17/33/92/567173392.db2.gz SRRBWTKKXUAUKT-UHFFFAOYSA-N -1 3 390.244 3.079 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)c3ccc(F)cc3F)cnc2c1Cl ZINC000432629731 567173491 /nfs/dbraw/zinc/17/34/91/567173491.db2.gz CYPJHFQQYFDLEC-MRVPVSSYSA-N -1 3 386.811 3.009 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)c3ccc(F)cc3F)cnc2c1Cl ZINC000432629732 567173766 /nfs/dbraw/zinc/17/37/66/567173766.db2.gz CYPJHFQQYFDLEC-QMMMGPOBSA-N -1 3 386.811 3.009 20 0 GGADHM CC(C)[C@@](C)(O)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000474477906 567175067 /nfs/dbraw/zinc/17/50/67/567175067.db2.gz NOLXUAYXWXCLQK-OAHLLOKOSA-N -1 3 386.677 3.260 20 0 GGADHM COc1ccc(CN(CCC2CCCCC2)CC(N)=O)c(Br)c1[O-] ZINC000546975124 567177050 /nfs/dbraw/zinc/17/70/50/567177050.db2.gz NTKJVBWKCPEGMM-UHFFFAOYSA-N -1 3 399.329 3.421 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1cc(F)cc(F)c1)Nc1ccc(Cl)cc1 ZINC000615292290 567177378 /nfs/dbraw/zinc/17/73/78/567177378.db2.gz ZTUIBRGRSOAGNT-UHFFFAOYSA-N -1 3 388.823 3.315 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)Cc1csc(C)n1)c1nc(C(F)(F)F)cs1 ZINC000684102385 567178099 /nfs/dbraw/zinc/17/80/99/567178099.db2.gz WJHOFXBOOYGPRQ-VIFPVBQESA-N -1 3 385.458 3.498 20 0 GGADHM COC(=O)c1cnc(SCc2nc3ccc(Br)cc3n2C)[n-]1 ZINC000432671431 567179093 /nfs/dbraw/zinc/17/90/93/567179093.db2.gz VIVWWECTIMEZKM-UHFFFAOYSA-N -1 3 381.255 3.138 20 0 GGADHM COC(=O)c1cnc(SCc2cc3c(cc2Br)OCCCO3)[n-]1 ZINC000432669762 567179103 /nfs/dbraw/zinc/17/91/03/567179103.db2.gz MQGWDLUOBMTBIF-UHFFFAOYSA-N -1 3 399.266 3.412 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)Cc1csc(C)n1)OC(C)C ZINC000684105827 567179580 /nfs/dbraw/zinc/17/95/80/567179580.db2.gz MZICUHXOOFFDIX-KRWDZBQOSA-N -1 3 384.523 3.046 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cs1 ZINC000684106056 567180208 /nfs/dbraw/zinc/18/02/08/567180208.db2.gz OUTPAVQLJWCUFX-MRXNPFEDSA-N -1 3 396.925 3.047 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCCCNC(=O)c2ccc(Br)cc2)c1 ZINC000524003729 567180234 /nfs/dbraw/zinc/18/02/34/567180234.db2.gz ZDIJHNLQDTUWNY-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM CC(C)c1nc2ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc2s1 ZINC000432676368 567180606 /nfs/dbraw/zinc/18/06/06/567180606.db2.gz FSKMIZICWNUCQP-CQSZACIVSA-N -1 3 383.539 3.322 20 0 GGADHM COCc1cccc2sc(NC(=O)c3c(C)[n-]c(=O)nc3SC)nc21 ZINC000474589414 567181166 /nfs/dbraw/zinc/18/11/66/567181166.db2.gz KRFWSSBAEUKVRV-UHFFFAOYSA-N -1 3 376.463 3.221 20 0 GGADHM COc1cccc(OCCC[N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000524126359 567183884 /nfs/dbraw/zinc/18/38/84/567183884.db2.gz OMCPXUHFBHSXIZ-UHFFFAOYSA-N -1 3 385.869 3.105 20 0 GGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1 ZINC000432758303 567186203 /nfs/dbraw/zinc/18/62/03/567186203.db2.gz FIJNVITYGSUCGF-UHFFFAOYSA-N -1 3 378.347 3.433 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000432765821 567186633 /nfs/dbraw/zinc/18/66/33/567186633.db2.gz DSQCOJSMKCJCOS-UHFFFAOYSA-N -1 3 380.853 3.343 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1Cl ZINC000432769670 567189207 /nfs/dbraw/zinc/18/92/07/567189207.db2.gz DJHUJNGMKSMQGO-UHFFFAOYSA-N -1 3 389.260 3.210 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccc(C)cc3)C2=O)sc1Cl ZINC000566772539 567189248 /nfs/dbraw/zinc/18/92/48/567189248.db2.gz BLJOEKJKWDOUCS-AWEZNQCLSA-N -1 3 398.937 3.098 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000524272623 567189981 /nfs/dbraw/zinc/18/99/81/567189981.db2.gz GCFFEVDCPPUOAZ-SECBINFHSA-N -1 3 391.242 3.156 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000589684860 567190123 /nfs/dbraw/zinc/19/01/23/567190123.db2.gz YSHUKOCECAKMOJ-OAHLLOKOSA-N -1 3 376.865 3.129 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589695265 567190496 /nfs/dbraw/zinc/19/04/96/567190496.db2.gz WTYGZQNLSFUGAE-NSHDSACASA-N -1 3 381.259 3.176 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000524272624 567190627 /nfs/dbraw/zinc/19/06/27/567190627.db2.gz GCFFEVDCPPUOAZ-VIFPVBQESA-N -1 3 391.242 3.156 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000589696021 567190745 /nfs/dbraw/zinc/19/07/45/567190745.db2.gz YBGYATHSGYYPPD-UHFFFAOYSA-N -1 3 379.243 3.014 20 0 GGADHM CCOc1cnc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)cn1 ZINC000684235976 567190977 /nfs/dbraw/zinc/19/09/77/567190977.db2.gz JQDSRRNOKAXNIX-UHFFFAOYSA-N -1 3 379.804 3.439 20 0 GGADHM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000432787042 567192477 /nfs/dbraw/zinc/19/24/77/567192477.db2.gz QVSBCLCUIBDWPJ-KPZWWZAWSA-N -1 3 388.265 3.012 20 0 GGADHM Cc1cccc(CO[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000637376097 567195554 /nfs/dbraw/zinc/19/55/54/567195554.db2.gz GSIBWKMMYNBMGC-NSHDSACASA-N -1 3 375.778 3.373 20 0 GGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)cc2o1 ZINC000524380882 567195702 /nfs/dbraw/zinc/19/57/02/567195702.db2.gz BXGDUPGGXQGVOP-UHFFFAOYSA-N -1 3 376.287 3.492 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ncc(Cl)s2)cc(C(F)(F)F)c1 ZINC000684286287 567197146 /nfs/dbraw/zinc/19/71/46/567197146.db2.gz DBZJCLZZMUVAFY-UHFFFAOYSA-N -1 3 399.803 3.439 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1scnc1-c1ccccc1 ZINC000524414073 567197496 /nfs/dbraw/zinc/19/74/96/567197496.db2.gz IPBCRBHCKZVIRR-UHFFFAOYSA-N -1 3 393.515 3.179 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)c1Cl ZINC000547304658 567198530 /nfs/dbraw/zinc/19/85/30/567198530.db2.gz XPUMKFPMVSBFCG-UHFFFAOYSA-N -1 3 390.170 3.182 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000547304773 567198926 /nfs/dbraw/zinc/19/89/26/567198926.db2.gz DRTDICWRUHHGCJ-UHFFFAOYSA-N -1 3 395.746 3.275 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000566883707 567199353 /nfs/dbraw/zinc/19/93/53/567199353.db2.gz LEIYBPYJJBWQBX-HNNXBMFYSA-N -1 3 389.926 3.448 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)cc1Cl ZINC000547326898 567200543 /nfs/dbraw/zinc/20/05/43/567200543.db2.gz OGFFYSKHOVLSGN-UHFFFAOYSA-N -1 3 395.897 3.147 20 0 GGADHM COc1cc(C(=O)N2CCOc3c(Br)cccc3C2)ccc1[O-] ZINC000684329525 567201372 /nfs/dbraw/zinc/20/13/72/567201372.db2.gz HIBMVKGFTBOZGD-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM COC(=O)c1nc(NC(=O)c2c(C)[n-]nc2C(F)(F)F)sc1C(C)C ZINC000589952521 567201628 /nfs/dbraw/zinc/20/16/28/567201628.db2.gz UEKBOUVKWALLKI-UHFFFAOYSA-N -1 3 376.360 3.356 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1cc(F)ccc1OC(F)F ZINC000566908198 567201811 /nfs/dbraw/zinc/20/18/11/567201811.db2.gz DXRZEIBNBULSOL-AWEZNQCLSA-N -1 3 379.400 3.055 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)sc1Br ZINC000547340483 567202090 /nfs/dbraw/zinc/20/20/90/567202090.db2.gz UPNJPBKMUKIQKI-GXTWGEPZSA-N -1 3 394.356 3.303 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000547343363 567202695 /nfs/dbraw/zinc/20/26/95/567202695.db2.gz GSOYZUPMRWPDPW-HUUCEWRRSA-N -1 3 381.391 3.328 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000547343364 567203026 /nfs/dbraw/zinc/20/30/26/567203026.db2.gz GSOYZUPMRWPDPW-LSDHHAIUSA-N -1 3 381.391 3.328 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)sc1Br ZINC000547340486 567203570 /nfs/dbraw/zinc/20/35/70/567203570.db2.gz UPNJPBKMUKIQKI-TZMCWYRMSA-N -1 3 394.356 3.303 20 0 GGADHM O=C([N-]c1nnc(C2CC2)s1)c1cc(I)ccc1F ZINC000566949185 567204052 /nfs/dbraw/zinc/20/40/52/567204052.db2.gz USOQPINTCICFRH-UHFFFAOYSA-N -1 3 389.193 3.412 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)c2c(Cl)cccc2Cl)cn1C ZINC000524593065 567204150 /nfs/dbraw/zinc/20/41/50/567204150.db2.gz GBBHRQHWMQJTTD-UHFFFAOYSA-N -1 3 376.309 3.291 20 0 GGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590047904 567204465 /nfs/dbraw/zinc/20/44/65/567204465.db2.gz KYWNEQKPJIBEEV-QWHCGFSZSA-N -1 3 392.974 3.401 20 0 GGADHM C[C@@H](CC(F)(F)F)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547363566 567205054 /nfs/dbraw/zinc/20/50/54/567205054.db2.gz MMKLLPYFOKRIQJ-ZETCQYMHSA-N -1 3 377.160 3.361 20 0 GGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000590071250 567206710 /nfs/dbraw/zinc/20/67/10/567206710.db2.gz UMAAZORBXLNWOG-XJKSGUPXSA-N -1 3 380.535 3.245 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccccc1CC(F)(F)F ZINC000524671158 567208027 /nfs/dbraw/zinc/20/80/27/567208027.db2.gz VRJCNAMGRTTYQH-UHFFFAOYSA-N -1 3 392.424 3.160 20 0 GGADHM O=C(CCn1cc(Br)cn1)Nc1ccc(Br)cc1[O-] ZINC000615841178 567209571 /nfs/dbraw/zinc/20/95/71/567209571.db2.gz MTNBXQXTEORZNT-UHFFFAOYSA-N -1 3 389.047 3.143 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)N=c2nc(-c3cccs3)[n-]n2C)cc1 ZINC000432960388 567209394 /nfs/dbraw/zinc/20/93/94/567209394.db2.gz ODFUDFMUJGWXOW-LBPRGKRZSA-N -1 3 376.507 3.280 20 0 GGADHM CCCc1nc(=NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)s[n-]1 ZINC000567002070 567209516 /nfs/dbraw/zinc/20/95/16/567209516.db2.gz WZTNDLRBXRSFQJ-DOMZBBRYSA-N -1 3 379.555 3.179 20 0 GGADHM CCCc1nc(=NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)s[n-]1 ZINC000567002073 567209587 /nfs/dbraw/zinc/20/95/87/567209587.db2.gz WZTNDLRBXRSFQJ-WFASDCNBSA-N -1 3 379.555 3.179 20 0 GGADHM Cc1ncc(CNCc2ccc(OC(F)(F)F)c(Br)c2)c(=O)[n-]1 ZINC000474934297 567211849 /nfs/dbraw/zinc/21/18/49/567211849.db2.gz YUJJIYCYONASKI-UHFFFAOYSA-N -1 3 392.175 3.442 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1F ZINC000547473488 567214086 /nfs/dbraw/zinc/21/40/86/567214086.db2.gz BYVFAIZNONKGMW-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1cncc(Br)c1 ZINC000524888200 567219100 /nfs/dbraw/zinc/21/91/00/567219100.db2.gz NLBAYDZADRLNMV-UHFFFAOYSA-N -1 3 387.686 3.465 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(C)(C)c1ccccc1 ZINC000590299340 567219285 /nfs/dbraw/zinc/21/92/85/567219285.db2.gz QLKBVBAENSXMFG-LBPRGKRZSA-N -1 3 383.311 3.489 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1cccc(C)n1 ZINC000684594481 567219333 /nfs/dbraw/zinc/21/93/33/567219333.db2.gz YYHLXSPJDNQVOW-UHFFFAOYSA-N -1 3 399.310 3.072 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000524872824 567219326 /nfs/dbraw/zinc/21/93/26/567219326.db2.gz ZSXSODCOPLHKLS-CABZTGNLSA-N -1 3 389.857 3.162 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000524872752 567219467 /nfs/dbraw/zinc/21/94/67/567219467.db2.gz YAEJLHNGEXATSH-KWQFWETISA-N -1 3 389.857 3.162 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000524872826 567219765 /nfs/dbraw/zinc/21/97/65/567219765.db2.gz ZSXSODCOPLHKLS-JOYOIKCWSA-N -1 3 389.857 3.162 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000524872828 567219888 /nfs/dbraw/zinc/21/98/88/567219888.db2.gz ZSXSODCOPLHKLS-SKDRFNHKSA-N -1 3 389.857 3.162 20 0 GGADHM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)C1 ZINC000684601059 567220936 /nfs/dbraw/zinc/22/09/36/567220936.db2.gz WKKXTLRDUAXGDR-ZDUSSCGKSA-N -1 3 393.336 3.147 20 0 GGADHM CCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)o1 ZINC000433083420 567221285 /nfs/dbraw/zinc/22/12/85/567221285.db2.gz PBIUSYNDKKPEIF-UHFFFAOYSA-N -1 3 376.214 3.345 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1 ZINC000616017090 567222306 /nfs/dbraw/zinc/22/23/06/567222306.db2.gz FWKLBZJMRNGWRH-MYJAWHEDSA-N -1 3 376.322 3.269 20 0 GGADHM O=S(=O)([N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1 ZINC000616017089 567222577 /nfs/dbraw/zinc/22/25/77/567222577.db2.gz FWKLBZJMRNGWRH-IUCAKERBSA-N -1 3 376.322 3.269 20 0 GGADHM O=C(Nc1nnc(-c2ccc3ccccc3n2)[n-]1)c1cncc(Br)c1 ZINC000590406994 567224111 /nfs/dbraw/zinc/22/41/11/567224111.db2.gz UQEJCKIFFZUTTL-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1nc(-c2ccc3ccccc3n2)n[n-]1)c1cncc(Br)c1 ZINC000590406994 567224116 /nfs/dbraw/zinc/22/41/16/567224116.db2.gz UQEJCKIFFZUTTL-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc3ccccc3n2)n1)c1cncc(Br)c1 ZINC000590406994 567224121 /nfs/dbraw/zinc/22/41/21/567224121.db2.gz UQEJCKIFFZUTTL-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM CSc1nnc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[n-]1 ZINC000499107342 567225156 /nfs/dbraw/zinc/22/51/56/567225156.db2.gz SOYHOJPNUFYWOH-UHFFFAOYSA-N -1 3 395.897 3.397 20 0 GGADHM CSc1n[n-]c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000499107342 567225160 /nfs/dbraw/zinc/22/51/60/567225160.db2.gz SOYHOJPNUFYWOH-UHFFFAOYSA-N -1 3 395.897 3.397 20 0 GGADHM CSc1nc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)n[n-]1 ZINC000499107342 567225164 /nfs/dbraw/zinc/22/51/64/567225164.db2.gz SOYHOJPNUFYWOH-UHFFFAOYSA-N -1 3 395.897 3.397 20 0 GGADHM COc1ncc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000637947354 567225910 /nfs/dbraw/zinc/22/59/10/567225910.db2.gz VRSQFEGAVJMYOG-UHFFFAOYSA-N -1 3 381.885 3.361 20 0 GGADHM O=C(Nc1ccc(I)cc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000590418067 567225982 /nfs/dbraw/zinc/22/59/82/567225982.db2.gz TURKLCMMPFPZEC-UHFFFAOYSA-N -1 3 379.157 3.125 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCN1C1CCCCC1 ZINC000684660753 567226557 /nfs/dbraw/zinc/22/65/57/567226557.db2.gz XJKLCWGTRJRGBI-CQSZACIVSA-N -1 3 391.320 3.205 20 0 GGADHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000567201538 567226598 /nfs/dbraw/zinc/22/65/98/567226598.db2.gz AMTURSDYPCZUBA-QMMMGPOBSA-N -1 3 389.768 3.171 20 0 GGADHM O=C([O-])[C@]12CN(Cc3nc4cc(Br)ccc4[nH]3)C[C@H]1CCCC2 ZINC000659800534 567226603 /nfs/dbraw/zinc/22/66/03/567226603.db2.gz VSMHACMRUQDHBN-PIGZYNQJSA-N -1 3 378.270 3.402 20 0 GGADHM O=C([O-])[C@]12CN(Cc3cc4c(cc3Br)OCCO4)C[C@H]1CCCC2 ZINC000659798657 567226613 /nfs/dbraw/zinc/22/66/13/567226613.db2.gz MATHXYDKTSEDGF-FZKQIMNGSA-N -1 3 396.281 3.297 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)c[nH]1 ZINC000684661700 567226703 /nfs/dbraw/zinc/22/67/03/567226703.db2.gz OBSIZGAKJREKFH-WCQYABFASA-N -1 3 384.299 3.130 20 0 GGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660147 567226808 /nfs/dbraw/zinc/22/68/08/567226808.db2.gz QPLVEKPWHUUEDF-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660717 567226865 /nfs/dbraw/zinc/22/68/65/567226865.db2.gz VVHYYAZPCUJRJL-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1cc(Cl)ccc1Br ZINC000684659608 567227055 /nfs/dbraw/zinc/22/70/55/567227055.db2.gz KTFNIHDSRDHXHU-UHFFFAOYSA-N -1 3 396.734 3.324 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000684659565 567227366 /nfs/dbraw/zinc/22/73/66/567227366.db2.gz JFAHWONYUHEXSH-CYBMUJFWSA-N -1 3 391.320 3.063 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660150 567227510 /nfs/dbraw/zinc/22/75/10/567227510.db2.gz QPLVEKPWHUUEDF-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2nsc3ccccc32)CC1)c1cccs1 ZINC000659817532 567227769 /nfs/dbraw/zinc/22/77/69/567227769.db2.gz DRGVBTBQTJTTPL-UHFFFAOYSA-N -1 3 393.559 3.301 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)NCc1ccc(OC)c([O-])c1Br ZINC000475155365 567228965 /nfs/dbraw/zinc/22/89/65/567228965.db2.gz SSADLRPJDYUENN-AWEZNQCLSA-N -1 3 394.265 3.037 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CC23CC3)cc1Cl ZINC000567245456 567230158 /nfs/dbraw/zinc/23/01/58/567230158.db2.gz SKNZACDURZNVRF-MRVPVSSYSA-N -1 3 380.691 3.190 20 0 GGADHM CC(C)(C)n1cc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)nn1 ZINC000567256792 567231315 /nfs/dbraw/zinc/23/13/15/567231315.db2.gz BKGXYHKHYRODRF-UHFFFAOYSA-N -1 3 380.239 3.377 20 0 GGADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1ccc(Br)cn1 ZINC000525174816 567232125 /nfs/dbraw/zinc/23/21/25/567232125.db2.gz ZBPIGDPAUPLDIF-ZDUSSCGKSA-N -1 3 383.267 3.036 20 0 GGADHM O=C(Cc1ccc(I)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557727 567232228 /nfs/dbraw/zinc/23/22/28/567232228.db2.gz GYLKNUJLTHTUOI-UHFFFAOYSA-N -1 3 393.184 3.054 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(C2CC2)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000525186155 567232517 /nfs/dbraw/zinc/23/25/17/567232517.db2.gz PFGQAKVQWHKMIX-LBPRGKRZSA-N -1 3 397.953 3.226 20 0 GGADHM CCC[C@H](C)S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000567277576 567232990 /nfs/dbraw/zinc/23/29/90/567232990.db2.gz HVADSSUGGNFKSD-LBPRGKRZSA-N -1 3 388.917 3.215 20 0 GGADHM O=C(NCC1CCN(CC(F)F)CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000567280845 567233245 /nfs/dbraw/zinc/23/32/45/567233245.db2.gz WRBBZUYCVRGGEE-UHFFFAOYSA-N -1 3 388.871 3.499 20 0 GGADHM O=C([O-])CCC1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567279777 567233642 /nfs/dbraw/zinc/23/36/42/567233642.db2.gz AZVFRIVHAHLCNV-CQSZACIVSA-N -1 3 376.280 3.310 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccs1 ZINC000567281581 567233835 /nfs/dbraw/zinc/23/38/35/567233835.db2.gz FZSIYXORFKZBKP-CQSZACIVSA-N -1 3 379.425 3.204 20 0 GGADHM O=S(=O)([N-]Cc1ccc2ccccc2c1)c1cncc(Br)c1 ZINC000525187578 567234721 /nfs/dbraw/zinc/23/47/21/567234721.db2.gz VEDGJWZQCASMMK-UHFFFAOYSA-N -1 3 377.263 3.476 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)cc1Cl ZINC000499274969 567234908 /nfs/dbraw/zinc/23/49/08/567234908.db2.gz SGBNZJOWWCSENN-UHFFFAOYSA-N -1 3 378.841 3.284 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(CC)ccn1 ZINC000684765453 567234989 /nfs/dbraw/zinc/23/49/89/567234989.db2.gz OBLUJMLQNVZQBG-UHFFFAOYSA-N -1 3 399.310 3.284 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000433224828 567235464 /nfs/dbraw/zinc/23/54/64/567235464.db2.gz DHUGHPBWYOCGEP-NSHDSACASA-N -1 3 393.515 3.177 20 0 GGADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000590610888 567235766 /nfs/dbraw/zinc/23/57/66/567235766.db2.gz JSJHRINRPMYDLD-NSHDSACASA-N -1 3 388.272 3.284 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000684762621 567235743 /nfs/dbraw/zinc/23/57/43/567235743.db2.gz BWEOQLPIBNQBPV-GOEBONIOSA-N -1 3 382.844 3.272 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)s1 ZINC000684763196 567235767 /nfs/dbraw/zinc/23/57/67/567235767.db2.gz XAGFUOHVZYEIIY-NZVBXONLSA-N -1 3 398.937 3.433 20 0 GGADHM CCn1cc(-c2n[nH]cc2C(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC000547646966 567236311 /nfs/dbraw/zinc/23/63/11/567236311.db2.gz UXLKKACMMMLSME-UHFFFAOYSA-N -1 3 376.214 3.014 20 0 GGADHM CSc1nsc([N-]C(=O)c2cc(I)ccc2F)n1 ZINC000475260247 567236552 /nfs/dbraw/zinc/23/65/52/567236552.db2.gz PUQOSYOSRDEVLJ-UHFFFAOYSA-N -1 3 395.222 3.256 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)o1 ZINC000567325428 567237143 /nfs/dbraw/zinc/23/71/43/567237143.db2.gz MESYWHZWAGALEB-UHFFFAOYSA-N -1 3 378.372 3.313 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000659919231 567237938 /nfs/dbraw/zinc/23/79/38/567237938.db2.gz BAJHZLUAZCRCKE-VIFPVBQESA-N -1 3 383.392 3.313 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)c1ccc(Cl)s1 ZINC000659907954 567238207 /nfs/dbraw/zinc/23/82/07/567238207.db2.gz BOVZQMISABCRDS-SWLSCSKDSA-N -1 3 381.947 3.356 20 0 GGADHM CCc1nc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)cn1CC1CC1 ZINC000659916310 567238975 /nfs/dbraw/zinc/23/89/75/567238975.db2.gz XUZCRODOYNZNPA-MRXNPFEDSA-N -1 3 380.539 3.050 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2cnc(C)s2)c(C(=O)OCC)c1C ZINC000499332341 567240180 /nfs/dbraw/zinc/24/01/80/567240180.db2.gz YIAKXHDGQMVPFJ-UHFFFAOYSA-N -1 3 382.463 3.427 20 0 GGADHM COC(=O)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000433316105 567242028 /nfs/dbraw/zinc/24/20/28/567242028.db2.gz HDAFZRHNNHNAAO-CQSZACIVSA-N -1 3 398.640 3.452 20 0 GGADHM CC1(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000433333455 567242553 /nfs/dbraw/zinc/24/25/53/567242553.db2.gz DMBXVNRMHKAMSF-ZDUSSCGKSA-N -1 3 398.937 3.219 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)n1 ZINC000684902201 567243004 /nfs/dbraw/zinc/24/30/04/567243004.db2.gz MPNKYNCEPUJUMO-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CCn1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1=O ZINC000433341677 567243796 /nfs/dbraw/zinc/24/37/96/567243796.db2.gz GMWJENVDGOUHOW-UHFFFAOYSA-N -1 3 394.802 3.019 20 0 GGADHM CC(C)(C)[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000547749064 567243791 /nfs/dbraw/zinc/24/37/91/567243791.db2.gz HLBFYTROPNHXPW-MRXNPFEDSA-N -1 3 393.281 3.178 20 0 GGADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000684905490 567243872 /nfs/dbraw/zinc/24/38/72/567243872.db2.gz BFBGGAQDQNRDSI-QMMMGPOBSA-N -1 3 390.221 3.171 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)cs1 ZINC000684903332 567243924 /nfs/dbraw/zinc/24/39/24/567243924.db2.gz PBMBAFISLGEYJQ-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM COc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000659988434 567244189 /nfs/dbraw/zinc/24/41/89/567244189.db2.gz WZEOKNUDAYARNQ-CQSZACIVSA-N -1 3 385.379 3.003 20 0 GGADHM CC[C@@H](COCC(F)(F)F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000455188940 567244250 /nfs/dbraw/zinc/24/42/50/567244250.db2.gz UHJLUBDYUZCMSU-JTQLQIEISA-N -1 3 399.207 3.311 20 0 GGADHM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000433342942 567244358 /nfs/dbraw/zinc/24/43/58/567244358.db2.gz LKLJHAUVSHRBQL-HNNXBMFYSA-N -1 3 380.828 3.339 20 0 GGADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1cc(F)ccc1Cl ZINC000433342638 567244650 /nfs/dbraw/zinc/24/46/50/567244650.db2.gz JZJZCNQPBKFVHO-UHFFFAOYSA-N -1 3 383.872 3.314 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCO[C@H]1C1CC1 ZINC000684917274 567244775 /nfs/dbraw/zinc/24/47/75/567244775.db2.gz NKLXKGFZEJGYTM-KBPBESRZSA-N -1 3 394.718 3.338 20 0 GGADHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(C)C ZINC000590762326 567244899 /nfs/dbraw/zinc/24/48/99/567244899.db2.gz QHORWTVBOGSDCY-AWEZNQCLSA-N -1 3 381.416 3.101 20 0 GGADHM C/C=C\c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000499407655 567244990 /nfs/dbraw/zinc/24/49/90/567244990.db2.gz VVKFOFMQKWFNGS-IHWYPQMZSA-N -1 3 389.249 3.443 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2nn[n-]c21)Oc1ccccc1Br ZINC000433370220 567245390 /nfs/dbraw/zinc/24/53/90/567245390.db2.gz DJGSQDLSZGLUQM-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2[n-]nnc21)Oc1ccccc1Br ZINC000433370220 567245400 /nfs/dbraw/zinc/24/54/00/567245400.db2.gz DJGSQDLSZGLUQM-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2n[n-]nc21)Oc1ccccc1Br ZINC000433370220 567245405 /nfs/dbraw/zinc/24/54/05/567245405.db2.gz DJGSQDLSZGLUQM-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000684914018 567245466 /nfs/dbraw/zinc/24/54/66/567245466.db2.gz NUKRONJTUNPUME-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000684914017 567245725 /nfs/dbraw/zinc/24/57/25/567245725.db2.gz NUKRONJTUNPUME-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000433362938 567246031 /nfs/dbraw/zinc/24/60/31/567246031.db2.gz PWHCQOLNHMSJNM-LBPRGKRZSA-N -1 3 393.958 3.318 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000433358594 567246125 /nfs/dbraw/zinc/24/61/25/567246125.db2.gz CDXNSTVVXDCEIO-UHFFFAOYSA-N -1 3 385.532 3.252 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2nn[n-]c21)Oc1ccccc1Br ZINC000433370221 567246247 /nfs/dbraw/zinc/24/62/47/567246247.db2.gz DJGSQDLSZGLUQM-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2[n-]nnc21)Oc1ccccc1Br ZINC000433370221 567246250 /nfs/dbraw/zinc/24/62/50/567246250.db2.gz DJGSQDLSZGLUQM-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2n[n-]nc21)Oc1ccccc1Br ZINC000433370221 567246253 /nfs/dbraw/zinc/24/62/53/567246253.db2.gz DJGSQDLSZGLUQM-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1C(F)(F)F ZINC000590793887 567247508 /nfs/dbraw/zinc/24/75/08/567247508.db2.gz VRNZVVUFWLBOOC-UHFFFAOYSA-N -1 3 375.343 3.258 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1cc(C(F)(F)F)ccc1F ZINC000590793872 567247717 /nfs/dbraw/zinc/24/77/17/567247717.db2.gz MCOZPMLDAXKITJ-UHFFFAOYSA-N -1 3 375.343 3.258 20 0 GGADHM CSc1nnc(NC(=O)c2cc(I)c(C)cc2C)[n-]1 ZINC000475430271 567248243 /nfs/dbraw/zinc/24/82/43/567248243.db2.gz JUTJXZQOMBDSIT-UHFFFAOYSA-N -1 3 388.234 3.000 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cc(I)c(C)cc2C)n1 ZINC000475430271 567248250 /nfs/dbraw/zinc/24/82/50/567248250.db2.gz JUTJXZQOMBDSIT-UHFFFAOYSA-N -1 3 388.234 3.000 20 0 GGADHM CSc1nc(NC(=O)c2cc(I)c(C)cc2C)n[n-]1 ZINC000475430271 567248255 /nfs/dbraw/zinc/24/82/55/567248255.db2.gz JUTJXZQOMBDSIT-UHFFFAOYSA-N -1 3 388.234 3.000 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000590792030 567248360 /nfs/dbraw/zinc/24/83/60/567248360.db2.gz QIRQQIJPSKSNOW-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1ccc(Br)cc1[O-] ZINC000684950745 567248429 /nfs/dbraw/zinc/24/84/29/567248429.db2.gz LKPVUNKIHQBNRE-LBPRGKRZSA-N -1 3 381.270 3.346 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CN1C1CC1 ZINC000433435220 567249013 /nfs/dbraw/zinc/24/90/13/567249013.db2.gz GSNIXASWZZYYHY-SFYZADRCSA-N -1 3 399.763 3.068 20 0 GGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)cn1 ZINC000567481085 567249662 /nfs/dbraw/zinc/24/96/62/567249662.db2.gz WYXPFRSKMSYINJ-UHFFFAOYSA-N -1 3 390.690 3.364 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000684969466 567249731 /nfs/dbraw/zinc/24/97/31/567249731.db2.gz YSLJTNXFKJPYMD-NSHDSACASA-N -1 3 379.247 3.026 20 0 GGADHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OCC ZINC000433475936 567251980 /nfs/dbraw/zinc/25/19/80/567251980.db2.gz VRNRJOJCJBRLNX-SNVBAGLBSA-N -1 3 385.379 3.102 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(-c2ccccc2)ns1 ZINC000475475820 567251886 /nfs/dbraw/zinc/25/18/86/567251886.db2.gz AUTRKBBIMQEWSL-UHFFFAOYSA-N -1 3 393.515 3.179 20 0 GGADHM COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ncccc1[O-] ZINC000525491851 567252051 /nfs/dbraw/zinc/25/20/51/567252051.db2.gz BLJWMMILBLDGCK-ZDUSSCGKSA-N -1 3 379.254 3.384 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(I)ccc1F ZINC000475508815 567252602 /nfs/dbraw/zinc/25/26/02/567252602.db2.gz FJLITSLXZQYJFK-UHFFFAOYSA-N -1 3 389.139 3.205 20 0 GGADHM C[C@@]12CN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000455254159 567253965 /nfs/dbraw/zinc/25/39/65/567253965.db2.gz WNEJANZRXHLLJD-IPTNHLRFSA-N -1 3 387.281 3.195 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCC1CCCC1 ZINC000433493422 567254323 /nfs/dbraw/zinc/25/43/23/567254323.db2.gz ZJIZKSGJZZRODU-UHFFFAOYSA-N -1 3 393.336 3.357 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000525584456 567255231 /nfs/dbraw/zinc/25/52/31/567255231.db2.gz IGYASEMYPWGONB-GFCCVEGCSA-N -1 3 381.523 3.219 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)c(F)c1 ZINC000433501806 567255612 /nfs/dbraw/zinc/25/56/12/567255612.db2.gz MSEMTJUFOOUYQD-AWEZNQCLSA-N -1 3 389.807 3.201 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000475542800 567255986 /nfs/dbraw/zinc/25/59/86/567255986.db2.gz AAQCTFUZJYTXQE-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3sc(C)nc3C)[n-]c(=O)c12 ZINC000525632050 567256579 /nfs/dbraw/zinc/25/65/79/567256579.db2.gz BERONRMHGNBMBW-UHFFFAOYSA-N -1 3 376.463 3.191 20 0 GGADHM Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)ccc1[O-] ZINC000499542356 567257180 /nfs/dbraw/zinc/25/71/80/567257180.db2.gz TVSRONHKHCFJND-UHFFFAOYSA-N -1 3 377.238 3.174 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000475557556 567257839 /nfs/dbraw/zinc/25/78/39/567257839.db2.gz COGIJOCZUSSBIO-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM C[C@@H]1CSc2ccccc2N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000616828712 567258053 /nfs/dbraw/zinc/25/80/53/567258053.db2.gz AOSBZYJXKSTCNY-ZDUSSCGKSA-N -1 3 376.503 3.447 20 0 GGADHM CC(C)(Oc1ccc(Br)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616822949 567258910 /nfs/dbraw/zinc/25/89/10/567258910.db2.gz FBINOHOMBDOPNL-CQSZACIVSA-N -1 3 394.269 3.242 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000616830023 567259291 /nfs/dbraw/zinc/25/92/91/567259291.db2.gz XAKQANXIGBFSLA-OLZOCXBDSA-N -1 3 396.559 3.190 20 0 GGADHM O=C([O-])CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 ZINC000567616860 567260857 /nfs/dbraw/zinc/26/08/57/567260857.db2.gz QWLUTOVRQLZWKR-UHFFFAOYSA-N -1 3 395.670 3.151 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1nccn1C ZINC000660101037 567261323 /nfs/dbraw/zinc/26/13/23/567261323.db2.gz OKNPDLILPLCCDG-SSDOTTSWSA-N -1 3 396.669 3.015 20 0 GGADHM O=S(=O)([N-]c1ccc(SCCN2CCCCC2)cc1)c1cccnc1 ZINC000567613066 567261453 /nfs/dbraw/zinc/26/14/53/567261453.db2.gz LGKVQXJOVNEQEL-UHFFFAOYSA-N -1 3 377.535 3.460 20 0 GGADHM CCc1cnc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000525722359 567261575 /nfs/dbraw/zinc/26/15/75/567261575.db2.gz JXDPYJYGXKDOEQ-UHFFFAOYSA-N -1 3 392.278 3.240 20 0 GGADHM CC(C)Oc1ccc(Br)cc1[N-]S(=O)(=O)N(C)CC1CC1 ZINC000433600514 567261601 /nfs/dbraw/zinc/26/16/01/567261601.db2.gz RPEUANJTBGYLHX-UHFFFAOYSA-N -1 3 377.304 3.235 20 0 GGADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1Cl ZINC000433612424 567261811 /nfs/dbraw/zinc/26/18/11/567261811.db2.gz LLHJLMVKMWUWFL-UHFFFAOYSA-N -1 3 387.816 3.140 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000660112199 567262775 /nfs/dbraw/zinc/26/27/75/567262775.db2.gz IBGVPFDVKRQZCJ-JQWIXIFHSA-N -1 3 379.425 3.210 20 0 GGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@H]12)c1cc(Br)sc1Cl ZINC000433625294 567263196 /nfs/dbraw/zinc/26/31/96/567263196.db2.gz LBRNVKCMBVNQQG-DTWKUNHWSA-N -1 3 399.763 3.069 20 0 GGADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000433683039 567265662 /nfs/dbraw/zinc/26/56/62/567265662.db2.gz BGLKTCHRGXHKDX-UHFFFAOYSA-N -1 3 381.416 3.283 20 0 GGADHM CN(C)[C@]1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSC1 ZINC000433659131 567266058 /nfs/dbraw/zinc/26/60/58/567266058.db2.gz JJUCRWWRMUYJDJ-HNNXBMFYSA-N -1 3 390.983 3.270 20 0 GGADHM Cc1ccc(-c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)cc1Br ZINC000685294278 567267068 /nfs/dbraw/zinc/26/70/68/567267068.db2.gz JKWFVLHECKOMRR-UHFFFAOYSA-N -1 3 376.214 3.036 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000499709572 567267743 /nfs/dbraw/zinc/26/77/43/567267743.db2.gz SWKSLYUTZSIZAN-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM CSc1nnc(NC(=O)CCOc2ccc(Cl)cc2Br)[n-]1 ZINC000591167660 567268642 /nfs/dbraw/zinc/26/86/42/567268642.db2.gz TWNZIEPJCQWURC-UHFFFAOYSA-N -1 3 391.678 3.350 20 0 GGADHM CSc1n[n-]c(NC(=O)CCOc2ccc(Cl)cc2Br)n1 ZINC000591167660 567268644 /nfs/dbraw/zinc/26/86/44/567268644.db2.gz TWNZIEPJCQWURC-UHFFFAOYSA-N -1 3 391.678 3.350 20 0 GGADHM CSc1nc(NC(=O)CCOc2ccc(Cl)cc2Br)n[n-]1 ZINC000591167660 567268648 /nfs/dbraw/zinc/26/86/48/567268648.db2.gz TWNZIEPJCQWURC-UHFFFAOYSA-N -1 3 391.678 3.350 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000499743396 567269055 /nfs/dbraw/zinc/26/90/55/567269055.db2.gz ZWITWQBTTQZXIF-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000433734760 567269254 /nfs/dbraw/zinc/26/92/54/567269254.db2.gz DMABHXLCVXDBQT-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)cc1OC ZINC000499731720 567269576 /nfs/dbraw/zinc/26/95/76/567269576.db2.gz FUZXNTDULWWHBP-SNVBAGLBSA-N -1 3 383.844 3.461 20 0 GGADHM CCc1ccc([O-])c(C(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000499740818 567269604 /nfs/dbraw/zinc/26/96/04/567269604.db2.gz LHHRYVPYHOFHOT-UHFFFAOYSA-N -1 3 391.265 3.476 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000499743206 567269829 /nfs/dbraw/zinc/26/98/29/567269829.db2.gz BWOQRPWBICJMPY-QFYYESIMSA-N -1 3 385.894 3.402 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591245709 567269886 /nfs/dbraw/zinc/26/98/86/567269886.db2.gz GRYZZQAPCPDBCI-QGZVFWFLSA-N -1 3 398.937 3.337 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591245708 567270340 /nfs/dbraw/zinc/27/03/40/567270340.db2.gz GRYZZQAPCPDBCI-KRWDZBQOSA-N -1 3 398.937 3.337 20 0 GGADHM CCSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000499747559 567270675 /nfs/dbraw/zinc/27/06/75/567270675.db2.gz HIBMALWZEPQECQ-ZDUSSCGKSA-N -1 3 393.958 3.177 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)cc1F ZINC000475734800 567271355 /nfs/dbraw/zinc/27/13/55/567271355.db2.gz OXFPKCUPHVJZGD-HNNXBMFYSA-N -1 3 386.489 3.450 20 0 GGADHM CCSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000499747558 567271447 /nfs/dbraw/zinc/27/14/47/567271447.db2.gz HIBMALWZEPQECQ-CYBMUJFWSA-N -1 3 393.958 3.177 20 0 GGADHM O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccc([O-])cc1Cl ZINC000616941654 567272349 /nfs/dbraw/zinc/27/23/49/567272349.db2.gz AHIHNWWGOMAMAK-UHFFFAOYSA-N -1 3 379.865 3.337 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1nc(-c2ccncc2)cs1 ZINC000475754442 567273133 /nfs/dbraw/zinc/27/31/33/567273133.db2.gz DUIWIKCLZCBHQB-UHFFFAOYSA-N -1 3 377.466 3.174 20 0 GGADHM CC[C@H](C)N(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000616985839 567273956 /nfs/dbraw/zinc/27/39/56/567273956.db2.gz DWLDAKYDPUMTFN-NSHDSACASA-N -1 3 381.325 3.309 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000433812422 567274051 /nfs/dbraw/zinc/27/40/51/567274051.db2.gz NQFDIUISRKHLFW-QGZVFWFLSA-N -1 3 379.551 3.184 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2c(C)cccc2Cl)nc1C ZINC000591326453 567274577 /nfs/dbraw/zinc/27/45/77/567274577.db2.gz AUFUQFYZDJXBPN-UHFFFAOYSA-N -1 3 388.898 3.069 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000475769891 567274706 /nfs/dbraw/zinc/27/47/06/567274706.db2.gz HSWABMALKXCPMM-SNVBAGLBSA-N -1 3 388.258 3.203 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000591325740 567274810 /nfs/dbraw/zinc/27/48/10/567274810.db2.gz UVOQMDYNDZZBOC-YJBOKZPZSA-N -1 3 379.865 3.135 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)sc1Br ZINC000433825634 567275003 /nfs/dbraw/zinc/27/50/03/567275003.db2.gz ZYGSXMMDMPZNSR-LLVKDONJSA-N -1 3 391.356 3.457 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)s1 ZINC000433831575 567275221 /nfs/dbraw/zinc/27/52/21/567275221.db2.gz NKNACLUKHFNKOT-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)sc1Br ZINC000433830314 567275415 /nfs/dbraw/zinc/27/54/15/567275415.db2.gz WPRFRTMYFJSPKO-LLVKDONJSA-N -1 3 393.372 3.114 20 0 GGADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000567771599 567275925 /nfs/dbraw/zinc/27/59/25/567275925.db2.gz LLSJTAUPXMXCOR-LLVKDONJSA-N -1 3 398.834 3.037 20 0 GGADHM CC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)F)CCCCC1 ZINC000475777028 567276092 /nfs/dbraw/zinc/27/60/92/567276092.db2.gz IREQHNRHHNQIQF-HZPDHXFCSA-N -1 3 375.481 3.114 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(CC2CC2)C1)c1c(Cl)cccc1Cl ZINC000660180053 567276321 /nfs/dbraw/zinc/27/63/21/567276321.db2.gz UZZSMJNXFOKTAS-ZDUSSCGKSA-N -1 3 377.337 3.394 20 0 GGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000548042597 567276388 /nfs/dbraw/zinc/27/63/88/567276388.db2.gz HOKHKGMRLSGTMK-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCc2nccn2C1)c1c(Cl)ccc2ccccc21 ZINC000548067447 567276744 /nfs/dbraw/zinc/27/67/44/567276744.db2.gz VAVVNNLSVYBTRW-CYBMUJFWSA-N -1 3 375.881 3.231 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)s1 ZINC000433840038 567276571 /nfs/dbraw/zinc/27/65/71/567276571.db2.gz VZHHHXRUEYQNRX-ZDUSSCGKSA-N -1 3 387.324 3.488 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1nc2ccccc2s1)[C@H]1CCCN(C2CCC2)C1 ZINC000567781297 567276995 /nfs/dbraw/zinc/27/69/95/567276995.db2.gz BCZJOBOKRGABCB-KGLIPLIRSA-N -1 3 379.551 3.228 20 0 GGADHM CC1(C)CC(CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000548058677 567277093 /nfs/dbraw/zinc/27/70/93/567277093.db2.gz WILJAYJFWVTTTR-UHFFFAOYSA-N -1 3 398.575 3.454 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000548076999 567278744 /nfs/dbraw/zinc/27/87/44/567278744.db2.gz FTUFGMWVPXUIEE-CRAIPNDOSA-N -1 3 376.250 3.344 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000525953534 567278921 /nfs/dbraw/zinc/27/89/21/567278921.db2.gz YDQCZHIVCXWNSY-UHFFFAOYSA-N -1 3 385.532 3.262 20 0 GGADHM CSCC(C)(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000499852888 567279030 /nfs/dbraw/zinc/27/90/30/567279030.db2.gz BGFOITCCPRROAH-UHFFFAOYSA-N -1 3 376.519 3.230 20 0 GGADHM C[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000591386624 567280069 /nfs/dbraw/zinc/28/00/69/567280069.db2.gz OOLVZCYWOXEQSE-LBPRGKRZSA-N -1 3 393.322 3.131 20 0 GGADHM C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000591386624 567280081 /nfs/dbraw/zinc/28/00/81/567280081.db2.gz OOLVZCYWOXEQSE-LBPRGKRZSA-N -1 3 393.322 3.131 20 0 GGADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000475836605 567280696 /nfs/dbraw/zinc/28/06/96/567280696.db2.gz RAOFAAAMDWQASA-UHFFFAOYSA-N -1 3 378.837 3.228 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c(F)c1 ZINC000685514355 567280702 /nfs/dbraw/zinc/28/07/02/567280702.db2.gz FXIRAEISZINQHD-UHFFFAOYSA-N -1 3 378.450 3.477 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c(F)c1 ZINC000591398754 567281094 /nfs/dbraw/zinc/28/10/94/567281094.db2.gz IKHIPGSERXOIAW-UHFFFAOYSA-N -1 3 385.486 3.017 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C)s1 ZINC000591399586 567281677 /nfs/dbraw/zinc/28/16/77/567281677.db2.gz RPGLQDCLDUYWBQ-MLGOLLRUSA-N -1 3 378.519 3.219 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)c1nc(C)cs1 ZINC000591399046 567281719 /nfs/dbraw/zinc/28/17/19/567281719.db2.gz OBGLEUFMMXKDKF-PWSUYJOCSA-N -1 3 387.552 3.140 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)o1 ZINC000433884788 567281803 /nfs/dbraw/zinc/28/18/03/567281803.db2.gz KRFDZSCNYBPKAC-AWEZNQCLSA-N -1 3 387.885 3.478 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1nc(C)cs1 ZINC000591399065 567281801 /nfs/dbraw/zinc/28/18/01/567281801.db2.gz QNLXTKCAORYTLX-LBPRGKRZSA-N -1 3 399.925 3.419 20 0 GGADHM Cc1cc(OC(C)C)ccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000617126241 567282207 /nfs/dbraw/zinc/28/22/07/567282207.db2.gz ZTRSHCVKSGUSHL-UHFFFAOYSA-N -1 3 382.507 3.151 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)n1 ZINC000685591505 567284414 /nfs/dbraw/zinc/28/44/14/567284414.db2.gz ZYAHGIFLBNLFMI-UHFFFAOYSA-N -1 3 378.519 3.438 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(COC)c1)c1ccc(C)o1 ZINC000685596725 567285794 /nfs/dbraw/zinc/28/57/94/567285794.db2.gz OQENFNKUXIPKPW-MRXNPFEDSA-N -1 3 387.885 3.444 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C3CC3)c(C)c2)s1 ZINC000548172316 567286017 /nfs/dbraw/zinc/28/60/17/567286017.db2.gz DGVOGWCMTGACDP-UHFFFAOYSA-N -1 3 379.507 3.164 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000567870852 567286375 /nfs/dbraw/zinc/28/63/75/567286375.db2.gz RTYPEVWGGSDZFS-UHFFFAOYSA-N -1 3 389.779 3.180 20 0 GGADHM CC(C)n1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000685601994 567287372 /nfs/dbraw/zinc/28/73/72/567287372.db2.gz NDXJZVKRZZUXDB-AWEZNQCLSA-N -1 3 375.416 3.164 20 0 GGADHM C[C@H](CC(C)(C)C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000455626256 567287451 /nfs/dbraw/zinc/28/74/51/567287451.db2.gz NAKQWLRCZVKDNV-CYBMUJFWSA-N -1 3 387.571 3.025 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cs1 ZINC000685602827 567287516 /nfs/dbraw/zinc/28/75/16/567287516.db2.gz KIJDCZFWGZFTOB-UHFFFAOYSA-N -1 3 385.269 3.214 20 0 GGADHM CSc1nnc(NC(=O)c2cc(Br)ccc2Br)[n-]1 ZINC000475917065 567287727 /nfs/dbraw/zinc/28/77/27/567287727.db2.gz FVDDXUYQUCBPFY-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cc(Br)ccc2Br)n1 ZINC000475917065 567287731 /nfs/dbraw/zinc/28/77/31/567287731.db2.gz FVDDXUYQUCBPFY-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM CSc1nc(NC(=O)c2cc(Br)ccc2Br)n[n-]1 ZINC000475917065 567287733 /nfs/dbraw/zinc/28/77/33/567287733.db2.gz FVDDXUYQUCBPFY-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(SC)cc2)cc1OC ZINC000617217250 567289875 /nfs/dbraw/zinc/28/98/75/567289875.db2.gz BYJJKPXJWJNLOB-UHFFFAOYSA-N -1 3 380.491 3.431 20 0 GGADHM COc1cc(C(=O)N=c2[n-]n(C)cc2Br)ccc1OCCC(C)C ZINC000567929804 567290079 /nfs/dbraw/zinc/29/00/79/567290079.db2.gz KLVAOHKWKRIJPN-UHFFFAOYSA-N -1 3 396.285 3.290 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000500002719 567290245 /nfs/dbraw/zinc/29/02/45/567290245.db2.gz BLYSYYOIMGFJHK-IUCAKERBSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000500002719 567290251 /nfs/dbraw/zinc/29/02/51/567290251.db2.gz BLYSYYOIMGFJHK-IUCAKERBSA-N -1 3 375.148 3.328 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1ccc(CSC)cc1 ZINC000500007269 567290748 /nfs/dbraw/zinc/29/07/48/567290748.db2.gz NDGBDNJKJYWTTO-UHFFFAOYSA-N -1 3 378.475 3.283 20 0 GGADHM Cc1sc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)nc1C(C)C ZINC000617244013 567292990 /nfs/dbraw/zinc/29/29/90/567292990.db2.gz IFLHVWFBPAHMMW-UHFFFAOYSA-N -1 3 385.486 3.021 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccc2nn[n-]c21 ZINC000526122383 567293910 /nfs/dbraw/zinc/29/39/10/567293910.db2.gz NOJWKJIIQQYIEE-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccc2[n-]nnc21 ZINC000526122383 567293914 /nfs/dbraw/zinc/29/39/14/567293914.db2.gz NOJWKJIIQQYIEE-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccc2n[n-]nc21 ZINC000526122383 567293918 /nfs/dbraw/zinc/29/39/18/567293918.db2.gz NOJWKJIIQQYIEE-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc2nn[n-]c21 ZINC000526124177 567295032 /nfs/dbraw/zinc/29/50/32/567295032.db2.gz ILKJYUYVPHIIPF-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc2[n-]nnc21 ZINC000526124177 567295040 /nfs/dbraw/zinc/29/50/40/567295040.db2.gz ILKJYUYVPHIIPF-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc2n[n-]nc21 ZINC000526124177 567295045 /nfs/dbraw/zinc/29/50/45/567295045.db2.gz ILKJYUYVPHIIPF-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM CCC(CC)CS(=O)(=O)[N-]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000500051867 567295083 /nfs/dbraw/zinc/29/50/83/567295083.db2.gz RZMOTAJPMUMSNE-UHFFFAOYSA-N -1 3 391.331 3.052 20 0 GGADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000434127024 567295687 /nfs/dbraw/zinc/29/56/87/567295687.db2.gz XOGPZUCECOUYDI-UHFFFAOYSA-N -1 3 393.285 3.062 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)cc1Cl ZINC000591816998 567298936 /nfs/dbraw/zinc/29/89/36/567298936.db2.gz ONQGKRZZDDVOFJ-NEPJUHHUSA-N -1 3 395.352 3.401 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@@H](C)C2)cc1 ZINC000476144234 567300154 /nfs/dbraw/zinc/30/01/54/567300154.db2.gz IWXLGADIZDLMFO-OAHLLOKOSA-N -1 3 388.555 3.039 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000591817256 567300346 /nfs/dbraw/zinc/30/03/46/567300346.db2.gz BBZBUNFFKUBDIG-RYUDHWBXSA-N -1 3 378.460 3.139 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000591817001 567300923 /nfs/dbraw/zinc/30/09/23/567300923.db2.gz ONQGKRZZDDVOFJ-RYUDHWBXSA-N -1 3 395.352 3.401 20 0 GGADHM CCCSc1nc(=NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)s[n-]1 ZINC000476171862 567301832 /nfs/dbraw/zinc/30/18/32/567301832.db2.gz WCSKCGVZJYBSLX-CYBMUJFWSA-N -1 3 383.518 3.026 20 0 GGADHM COC(=O)[C@@](C)([N-]S(=O)(=O)CCC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000476162878 567301854 /nfs/dbraw/zinc/30/18/54/567301854.db2.gz TVWNMUAHJUGTHS-HNNXBMFYSA-N -1 3 382.309 3.347 20 0 GGADHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476171596 567302290 /nfs/dbraw/zinc/30/22/90/567302290.db2.gz RCAQTNIYAHHWPC-SKDRFNHKSA-N -1 3 376.400 3.297 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl ZINC000500139483 567302488 /nfs/dbraw/zinc/30/24/88/567302488.db2.gz QWFZDAIWLNXPHY-HNNXBMFYSA-N -1 3 383.206 3.151 20 0 GGADHM O=S(=O)(Cc1ccon1)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000476186166 567302968 /nfs/dbraw/zinc/30/29/68/567302968.db2.gz DHSPHGCQQGWKOJ-UHFFFAOYSA-N -1 3 375.431 3.164 20 0 GGADHM COc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(F)cc1Br ZINC000639343916 567303062 /nfs/dbraw/zinc/30/30/62/567303062.db2.gz PDJXATGANWWYKA-UHFFFAOYSA-N -1 3 384.249 3.426 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc2cccc(Cl)c21 ZINC000476197582 567303612 /nfs/dbraw/zinc/30/36/12/567303612.db2.gz NDVIZFPIQRIVSJ-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM CC1(NC(=O)C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCC1 ZINC000568093026 567303912 /nfs/dbraw/zinc/30/39/12/567303912.db2.gz GSTJFZFWFJDFCC-UHFFFAOYSA-N -1 3 398.834 3.086 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2C(C)(F)F)s1 ZINC000455782204 567303979 /nfs/dbraw/zinc/30/39/79/567303979.db2.gz AQFPMVSUCKTHAL-UHFFFAOYSA-N -1 3 389.449 3.090 20 0 GGADHM C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)N1CCCCC1 ZINC000476214055 567305318 /nfs/dbraw/zinc/30/53/18/567305318.db2.gz CNTSMIXWTIEIFD-GFCCVEGCSA-N -1 3 393.322 3.131 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000476220792 567306573 /nfs/dbraw/zinc/30/65/73/567306573.db2.gz NZAWLUXVBNGPDP-AWEZNQCLSA-N -1 3 393.958 3.319 20 0 GGADHM O=C(NC1CC1)c1cc([N-]S(=O)(=O)CCc2cccs2)ccc1Cl ZINC000685899506 567306917 /nfs/dbraw/zinc/30/69/17/567306917.db2.gz CKIGDLSSCOTNGG-UHFFFAOYSA-N -1 3 384.910 3.278 20 0 GGADHM COc1cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc1C(F)(F)F ZINC000685901865 567309307 /nfs/dbraw/zinc/30/93/07/567309307.db2.gz XBWITNCILPUYHB-UHFFFAOYSA-N -1 3 381.294 3.035 20 0 GGADHM Cc1cc(Cl)ccc1S(=O)(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000685916000 567311023 /nfs/dbraw/zinc/31/10/23/567311023.db2.gz KQBAHBTWCIECQY-UHFFFAOYSA-N -1 3 397.287 3.320 20 0 GGADHM CCSCc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000455848882 567311502 /nfs/dbraw/zinc/31/15/02/567311502.db2.gz AFBJXGIJXYDLKW-UHFFFAOYSA-N -1 3 399.563 3.101 20 0 GGADHM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000568232412 567313250 /nfs/dbraw/zinc/31/32/50/567313250.db2.gz OMTGCDSHMHLAHG-INIZCTEOSA-N -1 3 391.265 3.465 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(c2ccccc2Cl)CC1 ZINC000592067400 567313324 /nfs/dbraw/zinc/31/33/24/567313324.db2.gz ORVKOOSUBXUMLS-GFCCVEGCSA-N -1 3 399.818 3.133 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2cc(Cl)ccc2OC)CCCCCC1 ZINC000500322130 567313504 /nfs/dbraw/zinc/31/35/04/567313504.db2.gz ISNLADIXYUVFCX-UHFFFAOYSA-N -1 3 389.901 3.034 20 0 GGADHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C(=O)C2CC2)CCC3)cs1 ZINC000527090528 567314447 /nfs/dbraw/zinc/31/44/47/567314447.db2.gz FJMXHORYKGNJHB-UHFFFAOYSA-N -1 3 375.475 3.497 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000527114566 567315259 /nfs/dbraw/zinc/31/52/59/567315259.db2.gz FHWGDEBHYSHMJV-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000527114566 567315265 /nfs/dbraw/zinc/31/52/65/567315265.db2.gz FHWGDEBHYSHMJV-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000527114566 567315272 /nfs/dbraw/zinc/31/52/72/567315272.db2.gz FHWGDEBHYSHMJV-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000476333761 567316009 /nfs/dbraw/zinc/31/60/09/567316009.db2.gz IJUPAYXWWRTGHN-UHFFFAOYSA-N -1 3 375.918 3.470 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C(F)(F)F ZINC000548474594 567318068 /nfs/dbraw/zinc/31/80/68/567318068.db2.gz NLBFTUPNAWGMJG-JTQLQIEISA-N -1 3 380.310 3.032 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1C ZINC000548474451 567318702 /nfs/dbraw/zinc/31/87/02/567318702.db2.gz VRAQSKCETZKKKO-HNNXBMFYSA-N -1 3 381.416 3.030 20 0 GGADHM Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)O2 ZINC000476373647 567319177 /nfs/dbraw/zinc/31/91/77/567319177.db2.gz BZJJXSBTEJMFBE-KRWDZBQOSA-N -1 3 376.250 3.473 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC[C@@H](C)C1 ZINC000500418315 567319169 /nfs/dbraw/zinc/31/91/69/567319169.db2.gz ZDIJMPFGOHBUNB-CABCVRRESA-N -1 3 379.551 3.209 20 0 GGADHM CCc1cc(OC)ccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000500402195 567319251 /nfs/dbraw/zinc/31/92/51/567319251.db2.gz KJADSNAZGWPFLI-UHFFFAOYSA-N -1 3 388.942 3.041 20 0 GGADHM C[C@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C[C@H](C)S1 ZINC000527176966 567319366 /nfs/dbraw/zinc/31/93/66/567319366.db2.gz XRAUIVGCNPJLJK-UWVGGRQHSA-N -1 3 396.456 3.043 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000500422391 567319588 /nfs/dbraw/zinc/31/95/88/567319588.db2.gz IQHZVVBJYUUNEE-UHFFFAOYSA-N -1 3 385.942 3.226 20 0 GGADHM Cc1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)ccc1C1CC1 ZINC000548500808 567320352 /nfs/dbraw/zinc/32/03/52/567320352.db2.gz PXZFYBGCSCTATO-UHFFFAOYSA-N -1 3 379.507 3.034 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000500429680 567320924 /nfs/dbraw/zinc/32/09/24/567320924.db2.gz OCBZXDUAEVBTID-OAHLLOKOSA-N -1 3 377.535 3.105 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@H]1C ZINC000500431807 567321028 /nfs/dbraw/zinc/32/10/28/567321028.db2.gz ZDJWQSMEQDOBFV-HUUCEWRRSA-N -1 3 379.551 3.351 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@@H]1C ZINC000500431808 567321131 /nfs/dbraw/zinc/32/11/31/567321131.db2.gz ZDJWQSMEQDOBFV-LSDHHAIUSA-N -1 3 379.551 3.351 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000500446672 567322489 /nfs/dbraw/zinc/32/24/89/567322489.db2.gz NGAPCBJLNZMCPA-AWEZNQCLSA-N -1 3 393.559 3.453 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1csc(-c2ccccc2)n1 ZINC000500440028 567322814 /nfs/dbraw/zinc/32/28/14/567322814.db2.gz LMQDVGUNGUKPNS-UHFFFAOYSA-N -1 3 378.450 3.307 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000500446674 567322929 /nfs/dbraw/zinc/32/29/29/567322929.db2.gz NGAPCBJLNZMCPA-CQSZACIVSA-N -1 3 393.559 3.453 20 0 GGADHM CCN(CCSC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000592235177 567323644 /nfs/dbraw/zinc/32/36/44/567323644.db2.gz RAPVSUNIYBYXBS-UHFFFAOYSA-N -1 3 391.534 3.119 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c1 ZINC000500474825 567323917 /nfs/dbraw/zinc/32/39/17/567323917.db2.gz JJHBTGCBLBHALS-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(=O)Nc2cccc(Br)c2)n1 ZINC000660751674 567324014 /nfs/dbraw/zinc/32/40/14/567324014.db2.gz OVQVFIHXZVWWPC-UHFFFAOYSA-N -1 3 393.285 3.107 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc3ccc(Br)cc3o2)n1 ZINC000660749081 567324146 /nfs/dbraw/zinc/32/41/46/567324146.db2.gz DRYMVSNMRXCLDP-UHFFFAOYSA-N -1 3 377.242 3.419 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc3ccc(Br)cc3n2C)n1 ZINC000660751073 567324347 /nfs/dbraw/zinc/32/43/47/567324347.db2.gz IHGROXHEVJDWQI-UHFFFAOYSA-N -1 3 390.285 3.165 20 0 GGADHM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(SCCN2CCCCC2)cc1 ZINC000568392019 567325423 /nfs/dbraw/zinc/32/54/23/567325423.db2.gz YTMCZAPIWIAAOU-UHFFFAOYSA-N -1 3 380.539 3.097 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F ZINC000434765160 567325635 /nfs/dbraw/zinc/32/56/35/567325635.db2.gz BDEXVUWFOROJQY-UHFFFAOYSA-N -1 3 387.326 3.076 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1csc(-c2ccccc2)n1 ZINC000434767087 567327473 /nfs/dbraw/zinc/32/74/73/567327473.db2.gz QZINMKXZMJTNDG-UHFFFAOYSA-N -1 3 398.403 3.005 20 0 GGADHM CSCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000617658773 567327384 /nfs/dbraw/zinc/32/73/84/567327384.db2.gz OGRSJARLJBAIQS-UHFFFAOYSA-N -1 3 375.675 3.037 20 0 GGADHM CSCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000617658773 567327389 /nfs/dbraw/zinc/32/73/89/567327389.db2.gz OGRSJARLJBAIQS-UHFFFAOYSA-N -1 3 375.675 3.037 20 0 GGADHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000568425114 567327598 /nfs/dbraw/zinc/32/75/98/567327598.db2.gz PLVWMRRYXNHTQF-UHFFFAOYSA-N -1 3 381.223 3.393 20 0 GGADHM Cc1ccc(Br)cc1-c1n[n-]c(=NC[C@@H]2CCCN(C)C2)s1 ZINC000527294182 567328004 /nfs/dbraw/zinc/32/80/04/567328004.db2.gz MEJBZVDALWOYHD-LBPRGKRZSA-N -1 3 381.343 3.452 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)N1CCCC1 ZINC000527314607 567329211 /nfs/dbraw/zinc/32/92/11/567329211.db2.gz XATCXWCJNYAKJM-SECBINFHSA-N -1 3 399.713 3.004 20 0 GGADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476505789 567330174 /nfs/dbraw/zinc/33/01/74/567330174.db2.gz FNIYMJNKEJZPHU-OLZOCXBDSA-N -1 3 394.306 3.460 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(C)cc1 ZINC000500556165 567330392 /nfs/dbraw/zinc/33/03/92/567330392.db2.gz FQRLYLZFEWBFGO-ZDUSSCGKSA-N -1 3 385.844 3.023 20 0 GGADHM CC(C)n1ccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)n1 ZINC000500575589 567330502 /nfs/dbraw/zinc/33/05/02/567330502.db2.gz QXCCMVQFLJWOPX-UHFFFAOYSA-N -1 3 392.232 3.430 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1)C(C)C ZINC000592350891 567330834 /nfs/dbraw/zinc/33/08/34/567330834.db2.gz RNXXZUAODLOWNG-MWTRTKDXSA-N -1 3 375.556 3.147 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(Br)c2)CCOCC1)c1ccco1 ZINC000527326351 567331283 /nfs/dbraw/zinc/33/12/83/567331283.db2.gz DVCQDXPWJZNKAV-UHFFFAOYSA-N -1 3 386.267 3.026 20 0 GGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500595096 567332413 /nfs/dbraw/zinc/33/24/13/567332413.db2.gz AWTFDOUTPZXYKH-JTQLQIEISA-N -1 3 376.247 3.481 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000476553937 567334741 /nfs/dbraw/zinc/33/47/41/567334741.db2.gz WTYXDIZQAHOGTP-UHFFFAOYSA-N -1 3 379.865 3.180 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@@H]12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000527372037 567335007 /nfs/dbraw/zinc/33/50/07/567335007.db2.gz LGLSVAQEFBLQJM-MJBXVCDLSA-N -1 3 384.910 3.309 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cc(Br)ccc1F ZINC000500636553 567335604 /nfs/dbraw/zinc/33/56/04/567335604.db2.gz SHYFXVINOAXRAS-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1cc(F)ccc1Br ZINC000434958036 567336692 /nfs/dbraw/zinc/33/66/92/567336692.db2.gz JYSCGBKHOGGKBK-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)c[nH]c1=O ZINC000568555644 567337130 /nfs/dbraw/zinc/33/71/30/567337130.db2.gz JKMAKQCACLOKRE-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F ZINC000476591359 567338620 /nfs/dbraw/zinc/33/86/20/567338620.db2.gz BOQVQJKLAAHBFH-MRVPVSSYSA-N -1 3 390.221 3.243 20 0 GGADHM COC1(Cc2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCC1 ZINC000568563493 567338621 /nfs/dbraw/zinc/33/86/21/567338621.db2.gz ABSUIZKMUCHTSU-UHFFFAOYSA-N -1 3 390.241 3.396 20 0 GGADHM COC1(Cc2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCC1 ZINC000568563493 567338625 /nfs/dbraw/zinc/33/86/25/567338625.db2.gz ABSUIZKMUCHTSU-UHFFFAOYSA-N -1 3 390.241 3.396 20 0 GGADHM COC1(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1 ZINC000568563493 567338632 /nfs/dbraw/zinc/33/86/32/567338632.db2.gz ABSUIZKMUCHTSU-UHFFFAOYSA-N -1 3 390.241 3.396 20 0 GGADHM CCc1nc(C)c([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)s1 ZINC000548622335 567338706 /nfs/dbraw/zinc/33/87/06/567338706.db2.gz JLLYXSGTNJSPFN-UHFFFAOYSA-N -1 3 385.536 3.112 20 0 GGADHM O=C(NCCCN1CCc2ccccc2C1)c1cccc(Br)c1[O-] ZINC000592448814 567339163 /nfs/dbraw/zinc/33/91/63/567339163.db2.gz PLRLTCBRRDWVNS-UHFFFAOYSA-N -1 3 389.293 3.333 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)c3c(F)cccc3F)cnc2c1Cl ZINC000500698347 567339535 /nfs/dbraw/zinc/33/95/35/567339535.db2.gz YSWXVMYECFZLAQ-QMMMGPOBSA-N -1 3 386.811 3.009 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)N1CCCCC1 ZINC000500691646 567339889 /nfs/dbraw/zinc/33/98/89/567339889.db2.gz WXTYPYHXGDKRNF-UHFFFAOYSA-N -1 3 393.322 3.131 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c[nH]c1=O ZINC000568584069 567340652 /nfs/dbraw/zinc/34/06/52/567340652.db2.gz BXVGIPQOTHWCNH-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]Cc3cccc(C(C)C)c3)cnc2c1Cl ZINC000476639780 567341105 /nfs/dbraw/zinc/34/11/05/567341105.db2.gz SRBUYEZCTIKENE-UHFFFAOYSA-N -1 3 378.885 3.293 20 0 GGADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1I ZINC000592460955 567341232 /nfs/dbraw/zinc/34/12/32/567341232.db2.gz CISDLNBAWREOOA-YPMHNXCESA-N -1 3 377.197 3.163 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCc2ccc(Br)c(C)c2)[n-]1 ZINC000617870418 567342133 /nfs/dbraw/zinc/34/21/33/567342133.db2.gz QBCOQSVJHISVNH-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCc2ccc(Br)c(C)c2)c[n-]1 ZINC000617870418 567342137 /nfs/dbraw/zinc/34/21/37/567342137.db2.gz QBCOQSVJHISVNH-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CC2CC(C)(C)C2)s1 ZINC000548701127 567343499 /nfs/dbraw/zinc/34/34/99/567343499.db2.gz LPELPEWVYMTORJ-UHFFFAOYSA-N -1 3 386.583 3.167 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCc2nccn2C1 ZINC000548710631 567343953 /nfs/dbraw/zinc/34/39/53/567343953.db2.gz HOGJZXBLSKYRQR-LBPRGKRZSA-N -1 3 379.869 3.132 20 0 GGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1)OCO2 ZINC000500777791 567344275 /nfs/dbraw/zinc/34/42/75/567344275.db2.gz YGMVQJAHNLDOLY-UHFFFAOYSA-N -1 3 382.869 3.240 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[n-]c(=O)n1 ZINC000476706810 567344962 /nfs/dbraw/zinc/34/49/62/567344962.db2.gz YIQMYPRBJUJIGW-LBPRGKRZSA-N -1 3 382.247 3.481 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]CCCSc3ccccc3)cnc2c1Cl ZINC000500811904 567347193 /nfs/dbraw/zinc/34/71/93/567347193.db2.gz ZJDBPGQJSGIBTB-UHFFFAOYSA-N -1 3 396.925 3.152 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)N1CCCC[C@H]1C ZINC000435207186 567347513 /nfs/dbraw/zinc/34/75/13/567347513.db2.gz KRUHIGAQGQJIGR-NEPJUHHUSA-N -1 3 393.322 3.129 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000568673525 567348178 /nfs/dbraw/zinc/34/81/78/567348178.db2.gz UUHYOVJIATVXKW-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCCC1 ZINC000476767506 567348336 /nfs/dbraw/zinc/34/83/36/567348336.db2.gz RODKJNCHGYELHV-UHFFFAOYSA-N -1 3 398.834 3.038 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435217620 567349189 /nfs/dbraw/zinc/34/91/89/567349189.db2.gz SFZHLSSMZUELCV-IAQYHMDHSA-N -1 3 394.306 3.318 20 0 GGADHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435217621 567349412 /nfs/dbraw/zinc/34/94/12/567349412.db2.gz SFZHLSSMZUELCV-NHYWBVRUSA-N -1 3 394.306 3.318 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435229440 567350659 /nfs/dbraw/zinc/35/06/59/567350659.db2.gz HSHIPYNUWMRGMF-ZDUSSCGKSA-N -1 3 393.322 3.131 20 0 GGADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1(C)C ZINC000435226605 567350748 /nfs/dbraw/zinc/35/07/48/567350748.db2.gz PKNWXMGHOSTJSB-JSGCOSHPSA-N -1 3 380.279 3.070 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1cc(F)ccc1Br ZINC000435223121 567351235 /nfs/dbraw/zinc/35/12/35/567351235.db2.gz QICBZGQXEGOCEK-DOMZBBRYSA-N -1 3 384.270 3.498 20 0 GGADHM CC(C)Oc1ncc(Cl)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000456208740 567351785 /nfs/dbraw/zinc/35/17/85/567351785.db2.gz VVYSTYDZGQLGDG-UHFFFAOYSA-N -1 3 383.857 3.146 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000500925656 567353192 /nfs/dbraw/zinc/35/31/92/567353192.db2.gz SSNANIOMJMWUCH-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM CCc1ccc([O-])c(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000500928524 567354741 /nfs/dbraw/zinc/35/47/41/567354741.db2.gz VTAPOBQWYHVQLP-GFCCVEGCSA-N -1 3 384.259 3.431 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c3ccccc3)cnc2c1Cl ZINC000500955820 567355866 /nfs/dbraw/zinc/35/58/66/567355866.db2.gz SXGIAEHQXGILCA-NEPJUHHUSA-N -1 3 378.885 3.162 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1cc(Br)ccc1F ZINC000548870805 567357219 /nfs/dbraw/zinc/35/72/19/567357219.db2.gz MMYLEWRJQHPMBG-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCc2nn(C)cc21 ZINC000548878761 567358571 /nfs/dbraw/zinc/35/85/71/567358571.db2.gz KTCGLWDRCAMPSC-OAHLLOKOSA-N -1 3 379.869 3.484 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000501012315 567359005 /nfs/dbraw/zinc/35/90/05/567359005.db2.gz WRISQLILINEIDQ-OLZOCXBDSA-N -1 3 388.946 3.034 20 0 GGADHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc([O-])cc(Br)c1 ZINC000527678173 567359497 /nfs/dbraw/zinc/35/94/97/567359497.db2.gz IYQBFIINVNNBLR-OAHLLOKOSA-N -1 3 379.254 3.315 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2nc(C)oc2C)cc1Cl ZINC000501040784 567359654 /nfs/dbraw/zinc/35/96/54/567359654.db2.gz MBEOFKKXNKCGDB-UHFFFAOYSA-N -1 3 379.265 3.128 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c(C)o1 ZINC000501042478 567359841 /nfs/dbraw/zinc/35/98/41/567359841.db2.gz XDUPDGCGDXEPFG-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000568841939 567360448 /nfs/dbraw/zinc/36/04/48/567360448.db2.gz ROFYWLVISZLSPM-GZBFAFLISA-N -1 3 376.254 3.188 20 0 GGADHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H](CO)CC(C)(C)C ZINC000568844302 567360456 /nfs/dbraw/zinc/36/04/56/567360456.db2.gz NTFMAHVKXMDUPV-LBPRGKRZSA-N -1 3 395.297 3.160 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2ccccn21 ZINC000435420174 567360664 /nfs/dbraw/zinc/36/06/64/567360664.db2.gz AXCUWHFRTOQAOO-MRVPVSSYSA-N -1 3 389.239 3.215 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cn2c(n1)CCCC2 ZINC000435421762 567361125 /nfs/dbraw/zinc/36/11/25/567361125.db2.gz LDUOIEKDGNURAJ-SMDDNHRTSA-N -1 3 386.304 3.361 20 0 GGADHM O=C(CCCCc1ccc(Br)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476963122 567361357 /nfs/dbraw/zinc/36/13/57/567361357.db2.gz BIBIUCJYLOCIEN-UHFFFAOYSA-N -1 3 390.281 3.242 20 0 GGADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000435421336 567361487 /nfs/dbraw/zinc/36/14/87/567361487.db2.gz IVYLYAFKKAXCDT-JKSUJKDBSA-N -1 3 397.294 3.077 20 0 GGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000435421140 567361545 /nfs/dbraw/zinc/36/15/45/567361545.db2.gz HYIOAMSERCDMDH-UHFFFAOYSA-N -1 3 378.256 3.226 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)CCc3ccc(Cl)cc3)CCCCC2)no1 ZINC000568859737 567361948 /nfs/dbraw/zinc/36/19/48/567361948.db2.gz ZFVCUMBGBISUSY-UHFFFAOYSA-N -1 3 383.901 3.353 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640294749 567362366 /nfs/dbraw/zinc/36/23/66/567362366.db2.gz IKLMKVGKZIZQCD-ZETCQYMHSA-N -1 3 379.770 3.051 20 0 GGADHM CO[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000640292920 567362824 /nfs/dbraw/zinc/36/28/24/567362824.db2.gz QGUNRSWXYFSANS-GFCCVEGCSA-N -1 3 376.766 3.030 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292521 567362839 /nfs/dbraw/zinc/36/28/39/567362839.db2.gz MBTCWVNCONTNLQ-ZYHUDNBSSA-N -1 3 382.814 3.238 20 0 GGADHM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000435425715 567362848 /nfs/dbraw/zinc/36/28/48/567362848.db2.gz ZZZVECPPRZLXRX-UHFFFAOYSA-N -1 3 378.256 3.072 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000640291485 567362902 /nfs/dbraw/zinc/36/29/02/567362902.db2.gz BNNIABMMCCFDFD-CMPLNLGQSA-N -1 3 376.741 3.337 20 0 GGADHM CC(C)n1cc([C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cn1 ZINC000640293026 567363038 /nfs/dbraw/zinc/36/30/38/567363038.db2.gz RDTYJEFRKVNYDA-VIFPVBQESA-N -1 3 378.786 3.181 20 0 GGADHM C[C@H](CNc1ccccc1)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640294509 567363392 /nfs/dbraw/zinc/36/33/92/567363392.db2.gz CWNGIJRZYLBDAX-SNVBAGLBSA-N -1 3 375.782 3.143 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292517 567363406 /nfs/dbraw/zinc/36/34/06/567363406.db2.gz MBTCWVNCONTNLQ-CMPLNLGQSA-N -1 3 382.814 3.238 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000640294736 567363521 /nfs/dbraw/zinc/36/35/21/567363521.db2.gz IGHDNKIHLSNQFX-SNVBAGLBSA-N -1 3 376.770 3.003 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1CCc2cc(F)ccc21 ZINC000640292055 567363551 /nfs/dbraw/zinc/36/35/51/567363551.db2.gz HLQJALDOOWNKPT-LBPRGKRZSA-N -1 3 376.741 3.469 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000568887419 567363547 /nfs/dbraw/zinc/36/35/47/567363547.db2.gz WLCWYLGACBECBN-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCc1c(F)cccc1F ZINC000640293341 567363570 /nfs/dbraw/zinc/36/35/70/567363570.db2.gz XAXQDUKKBZNDIA-UHFFFAOYSA-N -1 3 382.720 3.163 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640295182 567364016 /nfs/dbraw/zinc/36/40/16/567364016.db2.gz QLPBDKJCTPYXNO-MNOVXSKESA-N -1 3 382.814 3.188 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc2ccccc21 ZINC000435433612 567364061 /nfs/dbraw/zinc/36/40/61/567364061.db2.gz OLMIKNMMBWVGMW-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1COc2c1cccc2Cl ZINC000640295284 567364234 /nfs/dbraw/zinc/36/42/34/567364234.db2.gz TVRASQGVGDAHIH-SNVBAGLBSA-N -1 3 395.168 3.429 20 0 GGADHM C[C@H](CN(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nccs1 ZINC000640295741 567364689 /nfs/dbraw/zinc/36/46/89/567364689.db2.gz CGYVBOKIZUXQHK-MRVPVSSYSA-N -1 3 381.811 3.245 20 0 GGADHM CC(C)C[C@@H]1C[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640295898 567364722 /nfs/dbraw/zinc/36/47/22/567364722.db2.gz GUWCMWCNWJZBBK-GHMZBOCLSA-N -1 3 382.814 3.236 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCc2cccc(F)c2C1 ZINC000640296534 567364883 /nfs/dbraw/zinc/36/48/83/567364883.db2.gz OHMCCXBBABSRES-UHFFFAOYSA-N -1 3 376.741 3.250 20 0 GGADHM O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([O-])cc(Br)c1 ZINC000527699033 567365230 /nfs/dbraw/zinc/36/52/30/567365230.db2.gz FPTLXEKLEHXDPQ-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435435882 567365599 /nfs/dbraw/zinc/36/55/99/567365599.db2.gz CQZQZNYWDQHIAE-LLVKDONJSA-N -1 3 381.300 3.428 20 0 GGADHM O=S(=O)([N-]CC1CCN(C2CC2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435437171 567365795 /nfs/dbraw/zinc/36/57/95/567365795.db2.gz IPRSTZZLNJYRNH-UHFFFAOYSA-N -1 3 381.300 3.285 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435435884 567365918 /nfs/dbraw/zinc/36/59/18/567365918.db2.gz CQZQZNYWDQHIAE-NSHDSACASA-N -1 3 381.300 3.428 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cn1 ZINC000568914212 567366363 /nfs/dbraw/zinc/36/63/63/567366363.db2.gz GFASENILPBCMQQ-UHFFFAOYSA-N -1 3 385.232 3.014 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C)cc32)s1 ZINC000592822620 567366252 /nfs/dbraw/zinc/36/62/52/567366252.db2.gz YTJAOUUTBHIPJW-BLLLJJGKSA-N -1 3 378.519 3.219 20 0 GGADHM CCC[C@]1(COC)CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640301899 567366585 /nfs/dbraw/zinc/36/65/85/567366585.db2.gz MCYKPQXFPYWBTK-CQSZACIVSA-N -1 3 382.814 3.334 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1C[C@H]1c1ccccc1F ZINC000640298801 567366664 /nfs/dbraw/zinc/36/66/64/567366664.db2.gz PIPLEWJMNGDXHB-JOYOIKCWSA-N -1 3 376.741 3.337 20 0 GGADHM COC(=O)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435436475 567366707 /nfs/dbraw/zinc/36/67/07/567366707.db2.gz GLSQIWYXMRFKKK-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(Cl)s1 ZINC000592823338 567366799 /nfs/dbraw/zinc/36/67/99/567366799.db2.gz DDIWDFMRYJBKJF-JTQLQIEISA-N -1 3 378.853 3.237 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCC(F)(F)c1ccccc1 ZINC000640300232 567366866 /nfs/dbraw/zinc/36/68/66/567366866.db2.gz GEAMFZJKEFTBJH-UHFFFAOYSA-N -1 3 382.720 3.434 20 0 GGADHM C[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1c(F)cncc1F ZINC000640300149 567366917 /nfs/dbraw/zinc/36/69/17/567366917.db2.gz DYRJIEFQECBTPS-ZCFIWIBFSA-N -1 3 383.708 3.077 20 0 GGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[nH]1 ZINC000435435149 567366849 /nfs/dbraw/zinc/36/68/49/567366849.db2.gz WXBWEHVYTKJEHQ-ZETCQYMHSA-N -1 3 381.260 3.414 20 0 GGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303103 567366984 /nfs/dbraw/zinc/36/69/84/567366984.db2.gz WVKQUVBFCCVMTI-RNFRBKRXSA-N -1 3 378.704 3.325 20 0 GGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309525 567368240 /nfs/dbraw/zinc/36/82/40/567368240.db2.gz JWOFQRYCCBXBSZ-OLZOCXBDSA-N -1 3 377.286 3.323 20 0 GGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640308961 567368374 /nfs/dbraw/zinc/36/83/74/567368374.db2.gz GLSBHBFTMZUNAH-JQWIXIFHSA-N -1 3 381.249 3.154 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N=c2[n-]n(C)cc2Br)s1 ZINC000640309298 567368484 /nfs/dbraw/zinc/36/84/84/567368484.db2.gz IKOICIDUHACANA-VIFPVBQESA-N -1 3 386.319 3.157 20 0 GGADHM C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2Br)CC[C@H]1c1ccccc1 ZINC000640310647 567368752 /nfs/dbraw/zinc/36/87/52/567368752.db2.gz RLKCULUFTLOJAZ-TZMCWYRMSA-N -1 3 377.286 3.262 20 0 GGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309665 567368798 /nfs/dbraw/zinc/36/87/98/567368798.db2.gz KPMLNGTVFIPLOQ-YGRLFVJLSA-N -1 3 381.249 3.359 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C2CC2)cc1 ZINC000568964165 567369204 /nfs/dbraw/zinc/36/92/04/567369204.db2.gz FZNXJKUZHGYEHF-LLVKDONJSA-N -1 3 398.937 3.435 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000501160124 567369176 /nfs/dbraw/zinc/36/91/76/567369176.db2.gz AEFGGANSLHYLIM-LBPRGKRZSA-N -1 3 378.252 3.014 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)[n-]1 ZINC000640314460 567369313 /nfs/dbraw/zinc/36/93/13/567369313.db2.gz AUUOHINFGLCOFT-AWEZNQCLSA-N -1 3 375.270 3.364 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)s1 ZINC000435447272 567369511 /nfs/dbraw/zinc/36/95/11/567369511.db2.gz OKGBIBOIMNZUTK-QWHCGFSZSA-N -1 3 387.324 3.357 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)[n-]1 ZINC000640318386 567369876 /nfs/dbraw/zinc/36/98/76/567369876.db2.gz PZSPYWSVHVTNAV-QGZVFWFLSA-N -1 3 395.276 3.373 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640313017 567369953 /nfs/dbraw/zinc/36/99/53/567369953.db2.gz QMSWXXMHKPDQQR-UHFFFAOYSA-N -1 3 381.274 3.056 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000501160123 567369954 /nfs/dbraw/zinc/36/99/54/567369954.db2.gz AEFGGANSLHYLIM-GFCCVEGCSA-N -1 3 378.252 3.014 20 0 GGADHM Cc1cccc(C2=CCN(C(=O)N=c3[n-]n(C)cc3Br)CC2)c1 ZINC000640313089 567370257 /nfs/dbraw/zinc/37/02/57/567370257.db2.gz RMTPDVVKNDZVIE-UHFFFAOYSA-N -1 3 375.270 3.234 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(Cc3ccccc3F)CC2)[n-]1 ZINC000640327230 567370708 /nfs/dbraw/zinc/37/07/08/567370708.db2.gz RCLXILAMGQFUBQ-UHFFFAOYSA-N -1 3 395.276 3.230 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)Cc2ccc(F)cc2)c1Cl ZINC000501182933 567370994 /nfs/dbraw/zinc/37/09/94/567370994.db2.gz ANJLHUSBZOMSTI-ZDUSSCGKSA-N -1 3 392.279 3.323 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NCC2(Sc3ccccc3)CC2)[n-]1 ZINC000640325299 567371425 /nfs/dbraw/zinc/37/14/25/567371425.db2.gz DZEFXQIDTNTAET-UHFFFAOYSA-N -1 3 381.299 3.051 20 0 GGADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C)no1 ZINC000477126895 567372656 /nfs/dbraw/zinc/37/26/56/567372656.db2.gz JWHXCSGMNZDHNL-UHFFFAOYSA-N -1 3 377.853 3.485 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2N(C)C)sc1Br ZINC000477135716 567373797 /nfs/dbraw/zinc/37/37/97/567373797.db2.gz IJPMRNZPNSNKDH-UHFFFAOYSA-N -1 3 389.340 3.364 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)sc1Br ZINC000477131745 567374320 /nfs/dbraw/zinc/37/43/20/567374320.db2.gz AYUXAWPJNUHUGO-IACUBPJLSA-N -1 3 384.320 3.436 20 0 GGADHM CC(C)c1ncsc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000456451184 567374876 /nfs/dbraw/zinc/37/48/76/567374876.db2.gz IFKFTPGCAGVHJE-UHFFFAOYSA-N -1 3 385.536 3.365 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000435584585 567375303 /nfs/dbraw/zinc/37/53/03/567375303.db2.gz MPJBNFIIMKGXDN-IINYFYTJSA-N -1 3 375.343 3.086 20 0 GGADHM CCc1sc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1Br ZINC000501255824 567375182 /nfs/dbraw/zinc/37/51/82/567375182.db2.gz BVGLUTDTCSHHQR-UHFFFAOYSA-N -1 3 383.193 3.140 20 0 GGADHM CCc1sc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1Br ZINC000501255824 567375184 /nfs/dbraw/zinc/37/51/84/567375184.db2.gz BVGLUTDTCSHHQR-UHFFFAOYSA-N -1 3 383.193 3.140 20 0 GGADHM CCc1sc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Br ZINC000501255824 567375192 /nfs/dbraw/zinc/37/51/92/567375192.db2.gz BVGLUTDTCSHHQR-UHFFFAOYSA-N -1 3 383.193 3.140 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c1 ZINC000477153042 567375411 /nfs/dbraw/zinc/37/54/11/567375411.db2.gz SOJCNMDVPOGRIO-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000435587735 567377102 /nfs/dbraw/zinc/37/71/02/567377102.db2.gz ITDITUYOYLERPM-QWHCGFSZSA-N -1 3 385.894 3.331 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000435600593 567378612 /nfs/dbraw/zinc/37/86/12/567378612.db2.gz DNXWFGZSOQGNEB-QWHCGFSZSA-N -1 3 387.686 3.332 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3C[C@H]3c3ccc(Cl)cc3)cnc2c1Cl ZINC000435601049 567378745 /nfs/dbraw/zinc/37/87/45/567378745.db2.gz IQVPSCCMOSPWHK-UONOGXRCSA-N -1 3 397.287 3.179 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c1 ZINC000435627950 567380129 /nfs/dbraw/zinc/38/01/29/567380129.db2.gz SOJDEHSYAKEGPV-UHFFFAOYSA-N -1 3 375.277 3.438 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)NC2CCCCC2)c1Cl ZINC000477226631 567381510 /nfs/dbraw/zinc/38/15/10/567381510.db2.gz ZFVUBXNFFJVTHM-UHFFFAOYSA-N -1 3 379.309 3.029 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)c1 ZINC000618362608 567381473 /nfs/dbraw/zinc/38/14/73/567381473.db2.gz JPTZIKQLLJEKQR-MRXNPFEDSA-N -1 3 392.249 3.377 20 0 GGADHM CN(C)C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)cc1 ZINC000549233540 567381575 /nfs/dbraw/zinc/38/15/75/567381575.db2.gz BYOPEUZSOCXLCE-ZDUSSCGKSA-N -1 3 381.933 3.335 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2ccc(C)c(Br)c2)ccc1[O-] ZINC000456490316 567381625 /nfs/dbraw/zinc/38/16/25/567381625.db2.gz KPQXZADZQFPHRM-HNNXBMFYSA-N -1 3 392.293 3.353 20 0 GGADHM Cc1cc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c(F)cc1Br ZINC000569151184 567382036 /nfs/dbraw/zinc/38/20/36/567382036.db2.gz LRMNZZVQSFLIGU-UHFFFAOYSA-N -1 3 376.203 3.145 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(F)cccc1Cl ZINC000477248037 567383238 /nfs/dbraw/zinc/38/32/38/567383238.db2.gz CLLHVMZSQUOMOE-VIFPVBQESA-N -1 3 388.823 3.481 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(C(F)(F)F)c(F)c1 ZINC000501403386 567385001 /nfs/dbraw/zinc/38/50/01/567385001.db2.gz DJEMKCBFGAFXLT-GHMZBOCLSA-N -1 3 377.306 3.283 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nnc2n1CCCC2 ZINC000569190050 567385156 /nfs/dbraw/zinc/38/51/56/567385156.db2.gz OKFCKEGVPNXFMI-UHFFFAOYSA-N -1 3 395.337 3.196 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCOC[C@@H]2c2ccc(Br)cc2)n1 ZINC000661647206 567385253 /nfs/dbraw/zinc/38/52/53/567385253.db2.gz PRYBFJHATDTFBI-OAHLLOKOSA-N -1 3 378.270 3.081 20 0 GGADHM Cc1cc(NC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cs1 ZINC000640644263 567387472 /nfs/dbraw/zinc/38/74/72/567387472.db2.gz LXTKHAOVDFFECJ-UHFFFAOYSA-N -1 3 385.536 3.093 20 0 GGADHM Cc1cc(Cl)cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000477308187 567387818 /nfs/dbraw/zinc/38/78/18/567387818.db2.gz MAOBXCDUMQLCOZ-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)s1 ZINC000618449750 567388692 /nfs/dbraw/zinc/38/86/92/567388692.db2.gz XAQJNZZCQQUVDV-BLLLJJGKSA-N -1 3 378.519 3.301 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)s1 ZINC000618448982 567388758 /nfs/dbraw/zinc/38/87/58/567388758.db2.gz BCXANDOSRCFCAG-AZWZXVBVSA-N -1 3 382.551 3.192 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)s1 ZINC000618450345 567389753 /nfs/dbraw/zinc/38/97/53/567389753.db2.gz CQLPNULLIBHLAN-ZDUSSCGKSA-N -1 3 398.575 3.324 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)c1ccccc1 ZINC000618450410 567390083 /nfs/dbraw/zinc/39/00/83/567390083.db2.gz DKGOQZXODHRAHB-ZFWWWQNUSA-N -1 3 380.535 3.417 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCSc2ccccc2)s1 ZINC000618450357 567390132 /nfs/dbraw/zinc/39/01/32/567390132.db2.gz CTAHPWUXQYYUND-GFCCVEGCSA-N -1 3 384.548 3.016 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)s1 ZINC000618458190 567390354 /nfs/dbraw/zinc/39/03/54/567390354.db2.gz QAQAPWJCWXAHMM-SGTLLEGYSA-N -1 3 378.519 3.375 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)s1 ZINC000618450849 567390421 /nfs/dbraw/zinc/39/04/21/567390421.db2.gz FSUJHMATZFIUET-SNVBAGLBSA-N -1 3 395.531 3.033 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)c1ccccc1 ZINC000618450408 567390465 /nfs/dbraw/zinc/39/04/65/567390465.db2.gz DKGOQZXODHRAHB-UKRRQHHQSA-N -1 3 380.535 3.417 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)s1 ZINC000618461244 567391007 /nfs/dbraw/zinc/39/10/07/567391007.db2.gz HQEUFBXPYUAVCM-LLVKDONJSA-N -1 3 398.575 3.364 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000528058450 567391636 /nfs/dbraw/zinc/39/16/36/567391636.db2.gz NLHFESBWHOQJAR-LBPRGKRZSA-N -1 3 382.176 3.338 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)s1 ZINC000618458756 567391659 /nfs/dbraw/zinc/39/16/59/567391659.db2.gz RFXTUMHIXKOAEZ-KGLIPLIRSA-N -1 3 380.535 3.163 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)s1 ZINC000618459878 567391799 /nfs/dbraw/zinc/39/17/99/567391799.db2.gz ZOYNFHUIDADOOR-MRVPVSSYSA-N -1 3 378.928 3.139 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000549458048 567391985 /nfs/dbraw/zinc/39/19/85/567391985.db2.gz RORRGHYWJSVGPT-HNNXBMFYSA-N -1 3 389.304 3.427 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000549458049 567392347 /nfs/dbraw/zinc/39/23/47/567392347.db2.gz RORRGHYWJSVGPT-OAHLLOKOSA-N -1 3 389.304 3.427 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCC1 ZINC000549466583 567392369 /nfs/dbraw/zinc/39/23/69/567392369.db2.gz TYPKVIFTDWTPMT-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000549517647 567394804 /nfs/dbraw/zinc/39/48/04/567394804.db2.gz VZJFQKKGYDBFDU-UHFFFAOYSA-N -1 3 398.147 3.281 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2cc(OC)ccc2Br)CCCC1 ZINC000549522304 567395113 /nfs/dbraw/zinc/39/51/13/567395113.db2.gz ANUWGEWWMJCYNR-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1cc(F)c(F)c(F)c1 ZINC000549522169 567395147 /nfs/dbraw/zinc/39/51/47/567395147.db2.gz JEVZPOMNOTXXDX-UHFFFAOYSA-N -1 3 384.301 3.039 20 0 GGADHM O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477460399 567396369 /nfs/dbraw/zinc/39/63/69/567396369.db2.gz ZWLRFUCLFIYNHF-UHFFFAOYSA-N -1 3 388.873 3.163 20 0 GGADHM O=C(Cc1c(F)ccc(Br)c1F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000501575429 567398170 /nfs/dbraw/zinc/39/81/70/567398170.db2.gz NXSAXUVTQPCXAW-UHFFFAOYSA-N -1 3 394.179 3.089 20 0 GGADHM O=C(Cc1c(F)ccc(Br)c1F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000501575429 567398180 /nfs/dbraw/zinc/39/81/80/567398180.db2.gz NXSAXUVTQPCXAW-UHFFFAOYSA-N -1 3 394.179 3.089 20 0 GGADHM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528181692 567399462 /nfs/dbraw/zinc/39/94/62/567399462.db2.gz ARKVJNSQQDESTQ-STQMWFEESA-N -1 3 397.313 3.312 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(Br)cc1)c1ccccc1 ZINC000477501623 567399417 /nfs/dbraw/zinc/39/94/17/567399417.db2.gz SJJQHRHZBORZQK-OAHLLOKOSA-N -1 3 398.278 3.148 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)cc1Cl ZINC000549602864 567400279 /nfs/dbraw/zinc/40/02/79/567400279.db2.gz YSDUAUUCMODRCE-QWHCGFSZSA-N -1 3 386.272 3.188 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)N(C)C)cc1 ZINC000549631208 567401672 /nfs/dbraw/zinc/40/16/72/567401672.db2.gz XDEWPDKJUAAUDC-QGZVFWFLSA-N -1 3 386.489 3.268 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1cccc2ccsc21 ZINC000501693622 567401940 /nfs/dbraw/zinc/40/19/40/567401940.db2.gz UUZXMIUYOJJXIW-UHFFFAOYSA-N -1 3 378.450 3.348 20 0 GGADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000501679039 567402118 /nfs/dbraw/zinc/40/21/18/567402118.db2.gz JNKZXSVYWJOHBR-NSHDSACASA-N -1 3 381.420 3.035 20 0 GGADHM CCO[C@@H](C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1)C1CC1 ZINC000640944150 567403016 /nfs/dbraw/zinc/40/30/16/567403016.db2.gz YXGRYSOHOJFNLQ-OAHLLOKOSA-N -1 3 378.270 3.323 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000569452036 567405658 /nfs/dbraw/zinc/40/56/58/567405658.db2.gz QEFKAFHIWLFYQY-DZGCQCFKSA-N -1 3 383.286 3.255 20 0 GGADHM NC(=O)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)cc1Cl ZINC000549719191 567405770 /nfs/dbraw/zinc/40/57/70/567405770.db2.gz UEVLPFAYTJKUNM-UHFFFAOYSA-N -1 3 396.255 3.441 20 0 GGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000436162603 567409615 /nfs/dbraw/zinc/40/96/15/567409615.db2.gz SPPFJMRDYPKKJD-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM COc1c(C)cnc(CN(C)C(=O)c2cc([O-])cc(Br)c2)c1C ZINC000528312079 567409687 /nfs/dbraw/zinc/40/96/87/567409687.db2.gz PRWQQRHRAZMPIK-UHFFFAOYSA-N -1 3 379.254 3.447 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1(C(F)F)CCCC1 ZINC000569526702 567410259 /nfs/dbraw/zinc/41/02/59/567410259.db2.gz BAWYSNDUIPYDIW-UHFFFAOYSA-N -1 3 376.400 3.030 20 0 GGADHM O=C(NCc1ccc(OCC2CC2)nc1)c1cc([O-])cc(Br)c1 ZINC000528330140 567410717 /nfs/dbraw/zinc/41/07/17/567410717.db2.gz LSEGXBWXPFVXTB-UHFFFAOYSA-N -1 3 377.238 3.269 20 0 GGADHM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000549815763 567411751 /nfs/dbraw/zinc/41/17/51/567411751.db2.gz OCOIOYJVKUQBBY-LRDDRELGSA-N -1 3 393.908 3.027 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1ccc(F)cc1 ZINC000436186553 567412332 /nfs/dbraw/zinc/41/23/32/567412332.db2.gz PXSABSJHWZDDPX-GFCCVEGCSA-N -1 3 394.287 3.316 20 0 GGADHM COC1CCN(C2(C[N-]S(=O)(=O)c3sccc3Cl)CCCC2)CC1 ZINC000569556462 567413520 /nfs/dbraw/zinc/41/35/20/567413520.db2.gz PIARZWZOZBGEEY-UHFFFAOYSA-N -1 3 392.974 3.103 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cn2)C[C@H]1c1ccccc1 ZINC000549864731 567415284 /nfs/dbraw/zinc/41/52/84/567415284.db2.gz HZOXTMRWDCBLBQ-HOCLYGCPSA-N -1 3 381.295 3.316 20 0 GGADHM O=C([O-])CC1(NCc2cc(Br)ccc2OC(F)F)CCOCC1 ZINC000662213263 567417149 /nfs/dbraw/zinc/41/71/49/567417149.db2.gz XGWCKCSVJNMDGT-UHFFFAOYSA-N -1 3 394.212 3.164 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000569615581 567418663 /nfs/dbraw/zinc/41/86/63/567418663.db2.gz PLDFEFJMXDWKET-PSLIRLAXSA-N -1 3 386.242 3.389 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000502074854 567418965 /nfs/dbraw/zinc/41/89/65/567418965.db2.gz BUIIVLOHTXLHTL-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM C[C@@H]1CCC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000502089137 567418992 /nfs/dbraw/zinc/41/89/92/567418992.db2.gz HDBLMCHJOBTGNB-VXGBXAGGSA-N -1 3 378.947 3.012 20 0 GGADHM CC(C)Nc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000618875988 567418910 /nfs/dbraw/zinc/41/89/10/567418910.db2.gz NBFWKLCGSVKGHX-UHFFFAOYSA-N -1 3 387.914 3.139 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000477799590 567419185 /nfs/dbraw/zinc/41/91/85/567419185.db2.gz ZIKBMOQIRLILSR-NSHDSACASA-N -1 3 398.937 3.393 20 0 GGADHM C[C@H]1CCC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000502089134 567419197 /nfs/dbraw/zinc/41/91/97/567419197.db2.gz HDBLMCHJOBTGNB-NWDGAFQWSA-N -1 3 378.947 3.012 20 0 GGADHM CC(C)(C)CN(CC(=O)[O-])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000662228073 567419393 /nfs/dbraw/zinc/41/93/93/567419393.db2.gz UCLZFAHPRDWSNF-UHFFFAOYSA-N -1 3 393.228 3.099 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]C[C@@H]3CCC[C@H](F)C3)c(Cl)cc21 ZINC000528420491 567421307 /nfs/dbraw/zinc/42/13/07/567421307.db2.gz KUCUJHQJQVFHON-OCCSQVGLSA-N -1 3 388.892 3.056 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000436393999 567421527 /nfs/dbraw/zinc/42/15/27/567421527.db2.gz UWKLFGWXVZDNOJ-GZMMTYOYSA-N -1 3 391.205 3.428 20 0 GGADHM COc1cccc(C2(C[N-]S(=O)(=O)c3cc(Cl)ccc3OC)CC2)c1 ZINC000569649678 567421577 /nfs/dbraw/zinc/42/15/77/567421577.db2.gz FXQSKXVQXOTVPQ-UHFFFAOYSA-N -1 3 381.881 3.367 20 0 GGADHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1cccc(Cl)c1Br ZINC000569662926 567421648 /nfs/dbraw/zinc/42/16/48/567421648.db2.gz HGIKJYCJKSOSBA-LBPRGKRZSA-N -1 3 396.734 3.322 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000436394917 567421644 /nfs/dbraw/zinc/42/16/44/567421644.db2.gz WNEJRCLGEWJNII-GXSJLCMTSA-N -1 3 391.205 3.428 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2Cl)c1 ZINC000502171720 567421726 /nfs/dbraw/zinc/42/17/26/567421726.db2.gz UICOYKYJIWTEDC-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000549986701 567422337 /nfs/dbraw/zinc/42/23/37/567422337.db2.gz DMOIPRQDFSITTF-SOUVJXGZSA-N -1 3 391.892 3.457 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCSCc2ccc(C)cc2)c1 ZINC000502189199 567422545 /nfs/dbraw/zinc/42/25/45/567422545.db2.gz XLLMYKABLIYYCL-UHFFFAOYSA-N -1 3 385.532 3.055 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccccc2OCC(C)C)c1 ZINC000502189490 567423203 /nfs/dbraw/zinc/42/32/03/567423203.db2.gz WANVRTSCLPTMQV-UHFFFAOYSA-N -1 3 383.491 3.048 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)[C@@H]1C1CC1 ZINC000528437039 567423218 /nfs/dbraw/zinc/42/32/18/567423218.db2.gz LMACWEHIOXKIMS-ULCPSODYSA-N -1 3 376.400 3.308 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)[n-]1 ZINC000618919379 567423424 /nfs/dbraw/zinc/42/34/24/567423424.db2.gz BFFYFIRCSXIRTK-JTQLQIEISA-N -1 3 380.242 3.166 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)c[n-]1 ZINC000618919379 567423427 /nfs/dbraw/zinc/42/34/27/567423427.db2.gz BFFYFIRCSXIRTK-JTQLQIEISA-N -1 3 380.242 3.166 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c1 ZINC000502203925 567423891 /nfs/dbraw/zinc/42/38/91/567423891.db2.gz GBCOKHHJIFQLRI-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)s1 ZINC000477879329 567424404 /nfs/dbraw/zinc/42/44/04/567424404.db2.gz NLXATFRWMPBEMY-OLZOCXBDSA-N -1 3 387.571 3.012 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)OC)c1 ZINC000528448560 567424797 /nfs/dbraw/zinc/42/47/97/567424797.db2.gz JDUMXPNYHSBADO-LBPRGKRZSA-N -1 3 395.424 3.442 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)OC)c1 ZINC000528450325 567424836 /nfs/dbraw/zinc/42/48/36/567424836.db2.gz NYPOTMWHEHMPRP-CYBMUJFWSA-N -1 3 375.899 3.385 20 0 GGADHM CC[C@@H](CO)NC(=O)c1ccc(NCc2cc([O-])ccc2Br)cc1 ZINC000550064493 567426543 /nfs/dbraw/zinc/42/65/43/567426543.db2.gz MRFBNHREIYCLML-AWEZNQCLSA-N -1 3 393.281 3.268 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)c(F)c1 ZINC000593588844 567426690 /nfs/dbraw/zinc/42/66/90/567426690.db2.gz NOXPNHUTZHGEGZ-SNVBAGLBSA-N -1 3 386.832 3.090 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)CC[C@H]1CCCCO1)c1nc(C(F)(F)F)cs1 ZINC000641365495 567430127 /nfs/dbraw/zinc/43/01/27/567430127.db2.gz XVIXVYBYDOYADM-MNOVXSKESA-N -1 3 386.461 3.492 20 0 GGADHM COC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000436510836 567430393 /nfs/dbraw/zinc/43/03/93/567430393.db2.gz VBKBWJJTNYLLCQ-UHFFFAOYSA-N -1 3 390.193 3.070 20 0 GGADHM O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ncccc2[O-])CC1 ZINC000569768495 567430877 /nfs/dbraw/zinc/43/08/77/567430877.db2.gz GSKWRVIHZIKCOH-UHFFFAOYSA-N -1 3 390.281 3.400 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC000569797970 567432735 /nfs/dbraw/zinc/43/27/35/567432735.db2.gz APTNRBQGQNYDEQ-CHWSQXEVSA-N -1 3 378.519 3.170 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436541178 567433308 /nfs/dbraw/zinc/43/33/08/567433308.db2.gz WGGOEVRHZQJUCQ-UHFFFAOYSA-N -1 3 377.282 3.359 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C(F)(F)F)c2)nc1C ZINC000502418096 567434267 /nfs/dbraw/zinc/43/42/67/567434267.db2.gz JCIDLBRJXGJUHT-UHFFFAOYSA-N -1 3 375.416 3.444 20 0 GGADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(Cl)cc1F ZINC000528532675 567434318 /nfs/dbraw/zinc/43/43/18/567434318.db2.gz XGZIGEJNWBVCNB-JTQLQIEISA-N -1 3 383.819 3.407 20 0 GGADHM O=c1[n-]nc(SCc2nnc(C(F)(F)F)s2)n1CCc1ccccc1 ZINC000641419247 567434567 /nfs/dbraw/zinc/43/45/67/567434567.db2.gz JEKVFQLFXRGCNX-UHFFFAOYSA-N -1 3 387.412 3.389 20 0 GGADHM Cc1cc2sc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)nc2cc1F ZINC000478084131 567435419 /nfs/dbraw/zinc/43/54/19/567435419.db2.gz GZECMFCLUFEUHB-VIFPVBQESA-N -1 3 399.494 3.111 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@@H]3CCCOC3)nc(=O)c2c1C ZINC000502464759 567435484 /nfs/dbraw/zinc/43/54/84/567435484.db2.gz DHBLDBKIVKNZML-WDEREUQCSA-N -1 3 382.507 3.443 20 0 GGADHM CCCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1 ZINC000641450448 567435871 /nfs/dbraw/zinc/43/58/71/567435871.db2.gz JTEDVRDACUXNFE-UHFFFAOYSA-N -1 3 387.864 3.128 20 0 GGADHM Cc1cc2sc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)nc2cc1F ZINC000478078010 567435979 /nfs/dbraw/zinc/43/59/79/567435979.db2.gz LPGPHODCFIDYSF-UHFFFAOYSA-N -1 3 399.494 3.112 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)(F)F)c2)nc1C ZINC000502458304 567435912 /nfs/dbraw/zinc/43/59/12/567435912.db2.gz SPJASUGFZFMUJN-JTQLQIEISA-N -1 3 377.388 3.150 20 0 GGADHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528553015 567437766 /nfs/dbraw/zinc/43/77/66/567437766.db2.gz NMTPOEHNLBAHCR-LBPRGKRZSA-N -1 3 397.313 3.169 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cc(C)ccc1C ZINC000528563719 567438533 /nfs/dbraw/zinc/43/85/33/567438533.db2.gz DSLMQGFNYWRQMA-ZDUSSCGKSA-N -1 3 375.416 3.485 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000436627557 567439172 /nfs/dbraw/zinc/43/91/72/567439172.db2.gz UHNRLKOUZZRQMJ-OAHLLOKOSA-N -1 3 396.212 3.213 20 0 GGADHM C[C@@H]1CC[C@@H](CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000478161201 567439474 /nfs/dbraw/zinc/43/94/74/567439474.db2.gz BHPPZSQJTBMGOO-CHWSQXEVSA-N -1 3 398.575 3.454 20 0 GGADHM C[C@@H]1CC[C@@H](CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000478168609 567439568 /nfs/dbraw/zinc/43/95/68/567439568.db2.gz JHFMIQNUWWLTSB-GHMZBOCLSA-N -1 3 378.416 3.243 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(Br)ccc2F)c([O-])c1 ZINC000436637554 567440420 /nfs/dbraw/zinc/44/04/20/567440420.db2.gz ZHFZDCFDHOURRF-UHFFFAOYSA-N -1 3 395.228 3.361 20 0 GGADHM CN(C)Cc1cccc(NC(=O)c2cc(I)ccc2[O-])c1 ZINC000436673032 567442052 /nfs/dbraw/zinc/44/20/52/567442052.db2.gz IGNFTBAPVRLOQX-UHFFFAOYSA-N -1 3 396.228 3.311 20 0 GGADHM O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[O-] ZINC000436684548 567442823 /nfs/dbraw/zinc/44/28/23/567442823.db2.gz BZAWKZCKBSIKDK-ZDUSSCGKSA-N -1 3 375.266 3.411 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502600154 567443861 /nfs/dbraw/zinc/44/38/61/567443861.db2.gz LQCMYCFUGWGTPQ-UHFFFAOYSA-N -1 3 398.282 3.030 20 0 GGADHM COc1cccc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1[O-] ZINC000436710118 567444105 /nfs/dbraw/zinc/44/41/05/567444105.db2.gz ZBHQOYZYNWJSJZ-UHFFFAOYSA-N -1 3 383.231 3.466 20 0 GGADHM Cc1cc(Br)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436695525 567444174 /nfs/dbraw/zinc/44/41/74/567444174.db2.gz LXCXQEAYHDRTRJ-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CCCC12CC2 ZINC000528648838 567444855 /nfs/dbraw/zinc/44/48/55/567444855.db2.gz JMQJHCNXIBJEQC-NSHDSACASA-N -1 3 386.876 3.439 20 0 GGADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000569929345 567444979 /nfs/dbraw/zinc/44/49/79/567444979.db2.gz PFRBRZYFIJXWNC-QMMMGPOBSA-N -1 3 392.175 3.029 20 0 GGADHM CN(CCCN(C)C(=O)c1ccc(Br)cc1[O-])Cc1ccco1 ZINC000436714022 567445714 /nfs/dbraw/zinc/44/57/14/567445714.db2.gz SIYGSSKIIWMPMQ-UHFFFAOYSA-N -1 3 381.270 3.342 20 0 GGADHM COc1cccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1[O-] ZINC000436720852 567445901 /nfs/dbraw/zinc/44/59/01/567445901.db2.gz VGNJGJDAEZEFHD-CYBMUJFWSA-N -1 3 391.265 3.172 20 0 GGADHM C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000478277415 567446051 /nfs/dbraw/zinc/44/60/51/567446051.db2.gz HYIVBYSOQAMCEN-VIFPVBQESA-N -1 3 381.201 3.051 20 0 GGADHM COc1cc(-c2noc(-c3cc(I)c[nH]3)n2)ccc1[O-] ZINC000436714898 567446171 /nfs/dbraw/zinc/44/61/71/567446171.db2.gz JRCNXDHSMLLQPE-UHFFFAOYSA-N -1 3 383.145 3.051 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000550431564 567447140 /nfs/dbraw/zinc/44/71/40/567447140.db2.gz RGHCLDYCFJAATE-VIFPVBQESA-N -1 3 389.260 3.215 20 0 GGADHM CN(CCCN(C)C(=O)c1cc(F)cc(Br)c1[O-])Cc1ccco1 ZINC000436737578 567447795 /nfs/dbraw/zinc/44/77/95/567447795.db2.gz LMWKRFWQDRUYQH-UHFFFAOYSA-N -1 3 399.260 3.481 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000436731099 567448053 /nfs/dbraw/zinc/44/80/53/567448053.db2.gz JVLVMSHPWCEFIA-SSDOTTSWSA-N -1 3 394.305 3.448 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)CC1 ZINC000641682300 567448632 /nfs/dbraw/zinc/44/86/32/567448632.db2.gz MAHCWPBQIJTFIV-UHFFFAOYSA-N -1 3 385.379 3.024 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cc(C)n3)cc2)CC1 ZINC000641679278 567448779 /nfs/dbraw/zinc/44/87/79/567448779.db2.gz MVCCFBZYOMIYKS-UHFFFAOYSA-N -1 3 379.507 3.165 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1Br ZINC000436755009 567449458 /nfs/dbraw/zinc/44/94/58/567449458.db2.gz KNZXBGKJEOSAEU-UHFFFAOYSA-N -1 3 395.234 3.275 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(N=S2(=O)CCCC2)cc1 ZINC000641692120 567449665 /nfs/dbraw/zinc/44/96/65/567449665.db2.gz LXKAWBMXKIUYGZ-QGZVFWFLSA-N -1 3 388.555 3.383 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(c1nc(C(F)(F)F)c(Br)s1)C2 ZINC000641687029 567450244 /nfs/dbraw/zinc/45/02/44/567450244.db2.gz GUMULOYPPSFKMH-UHFFFAOYSA-N -1 3 381.177 3.249 20 0 GGADHM COc1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC000436781920 567450991 /nfs/dbraw/zinc/45/09/91/567450991.db2.gz VXCZGSAZTKEKHZ-ZDUSSCGKSA-N -1 3 391.265 3.172 20 0 GGADHM CO[C@@H](CS(=O)(=O)Nc1cccc([O-])c1Br)C1CCCC1 ZINC000641689300 567450987 /nfs/dbraw/zinc/45/09/87/567450987.db2.gz PCISAISUJCRJPI-ZDUSSCGKSA-N -1 3 378.288 3.102 20 0 GGADHM CC(C)N1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000436770447 567451264 /nfs/dbraw/zinc/45/12/64/567451264.db2.gz ORODFTXKQYBQLN-UHFFFAOYSA-N -1 3 375.694 3.364 20 0 GGADHM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 ZINC000570003291 567451275 /nfs/dbraw/zinc/45/12/75/567451275.db2.gz VJTLUJIYYLZZAG-LLVKDONJSA-N -1 3 377.306 3.247 20 0 GGADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC000436778703 567451553 /nfs/dbraw/zinc/45/15/53/567451553.db2.gz HPABGTMJLARHGE-AWEZNQCLSA-N -1 3 375.266 3.472 20 0 GGADHM CCc1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000436806433 567452772 /nfs/dbraw/zinc/45/27/72/567452772.db2.gz VPJAYTGLJIZUKH-UHFFFAOYSA-N -1 3 381.881 3.202 20 0 GGADHM Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c([O-])c1 ZINC000436810042 567454132 /nfs/dbraw/zinc/45/41/32/567454132.db2.gz QRAPFJONUXZBFM-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCc2cc(Br)ccc2F)[n-]1 ZINC000619448966 567454260 /nfs/dbraw/zinc/45/42/60/567454260.db2.gz NHZKYWYMUSQGOQ-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCc2cc(Br)ccc2F)c[n-]1 ZINC000619448966 567454267 /nfs/dbraw/zinc/45/42/67/567454267.db2.gz NHZKYWYMUSQGOQ-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCCc2ccccc2Br)[n-]1 ZINC000619449044 567454291 /nfs/dbraw/zinc/45/42/91/567454291.db2.gz PNDWIUQIWFPIRU-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCCc2ccccc2Br)c[n-]1 ZINC000619449044 567454296 /nfs/dbraw/zinc/45/42/96/567454296.db2.gz PNDWIUQIWFPIRU-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cc2ccccc2s1 ZINC000502815827 567454326 /nfs/dbraw/zinc/45/43/26/567454326.db2.gz FWXIMUUGSICQMW-LLVKDONJSA-N -1 3 375.475 3.159 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc(Cl)cc(Br)c2F)[n-]1 ZINC000619448980 567454703 /nfs/dbraw/zinc/45/47/03/567454703.db2.gz NOPXJPSHWHTFNT-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)cc(Br)c2F)c[n-]1 ZINC000619448980 567454706 /nfs/dbraw/zinc/45/47/06/567454706.db2.gz NOPXJPSHWHTFNT-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM CC1(C)Cc2ccsc2CN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000457318660 567456521 /nfs/dbraw/zinc/45/65/21/567456521.db2.gz JULWAPKKMBPBQK-UHFFFAOYSA-N -1 3 382.482 3.236 20 0 GGADHM CCc1ccc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)c([O-])c1 ZINC000436825740 567456691 /nfs/dbraw/zinc/45/66/91/567456691.db2.gz LZEDNHXMTNHXPV-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(-c2nccs2)cc1 ZINC000641844387 567457132 /nfs/dbraw/zinc/45/71/32/567457132.db2.gz FNVXUMZRPYQTCD-UHFFFAOYSA-N -1 3 393.515 3.179 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)cc1F ZINC000570086391 567457114 /nfs/dbraw/zinc/45/71/14/567457114.db2.gz ZWTSYYIDZQDERE-LBPRGKRZSA-N -1 3 389.857 3.293 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cccs1 ZINC000619474756 567457559 /nfs/dbraw/zinc/45/75/59/567457559.db2.gz BCWBLSXHPFPUBU-ZDUSSCGKSA-N -1 3 391.873 3.264 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000528799863 567458529 /nfs/dbraw/zinc/45/85/29/567458529.db2.gz RQJIAKSRHTWTLJ-KRWDZBQOSA-N -1 3 398.297 3.345 20 0 GGADHM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc([O-])cc(Br)c1 ZINC000528808080 567458754 /nfs/dbraw/zinc/45/87/54/567458754.db2.gz AURZPLNQVKDHJM-CYBMUJFWSA-N -1 3 379.258 3.135 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000502864965 567458937 /nfs/dbraw/zinc/45/89/37/567458937.db2.gz WVRKKILGBZAVBA-UHFFFAOYSA-N -1 3 379.189 3.429 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000502864965 567458940 /nfs/dbraw/zinc/45/89/40/567458940.db2.gz WVRKKILGBZAVBA-UHFFFAOYSA-N -1 3 379.189 3.429 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000502864965 567458944 /nfs/dbraw/zinc/45/89/44/567458944.db2.gz WVRKKILGBZAVBA-UHFFFAOYSA-N -1 3 379.189 3.429 20 0 GGADHM CN1CC[C@@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000436857869 567459672 /nfs/dbraw/zinc/45/96/72/567459672.db2.gz LRPCEYAIYATBOV-HZPDHXFCSA-N -1 3 393.256 3.469 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc([O-])cc(Br)c1 ZINC000528812476 567460116 /nfs/dbraw/zinc/46/01/16/567460116.db2.gz VHDNALZYVHCADV-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM O=C(c1cc(F)cc(Br)c1[O-])N1CCCN(C2CCCC2)CC1 ZINC000436866097 567461123 /nfs/dbraw/zinc/46/11/23/567461123.db2.gz WPVNQJBXGLWULZ-UHFFFAOYSA-N -1 3 385.277 3.384 20 0 GGADHM CC(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1[O-] ZINC000436867656 567461749 /nfs/dbraw/zinc/46/17/49/567461749.db2.gz DVPUXKPABJJKJP-UHFFFAOYSA-N -1 3 381.169 3.452 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000550794050 567461837 /nfs/dbraw/zinc/46/18/37/567461837.db2.gz YSUTUCZKLDGSDS-JOCHJYFZSA-N -1 3 375.874 3.300 20 0 GGADHM Cc1cccc(C(=O)NC[C@@H](CO)Cc2ccccc2Br)c1[O-] ZINC000436872955 567462526 /nfs/dbraw/zinc/46/25/26/567462526.db2.gz YFGZSEQGXFPVGN-ZDUSSCGKSA-N -1 3 378.266 3.044 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436889180 567462733 /nfs/dbraw/zinc/46/27/33/567462733.db2.gz QDWMTYISHCTDPE-UHFFFAOYSA-N -1 3 385.233 3.091 20 0 GGADHM CCOc1cc(-c2noc(Cc3cc[nH]c(=O)c3Br)n2)ccc1[O-] ZINC000436871410 567463235 /nfs/dbraw/zinc/46/32/35/567463235.db2.gz SKUGVGYRVIZVRH-UHFFFAOYSA-N -1 3 392.209 3.295 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000641983496 567463270 /nfs/dbraw/zinc/46/32/70/567463270.db2.gz URESNTJZZGEGQS-JRPNMDOOSA-N -1 3 393.336 3.213 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000641983495 567463784 /nfs/dbraw/zinc/46/37/84/567463784.db2.gz URESNTJZZGEGQS-HFAKWTLXSA-N -1 3 393.336 3.213 20 0 GGADHM O=S(=O)([N-]CCNc1ccc2ccccc2n1)c1cccc(Cl)c1Cl ZINC000570198316 567464306 /nfs/dbraw/zinc/46/43/06/567464306.db2.gz BGEDHZBCSNYPGX-UHFFFAOYSA-N -1 3 396.299 3.354 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)N(C)C)cc1 ZINC000570179794 567465138 /nfs/dbraw/zinc/46/51/38/567465138.db2.gz WDHDGKJHSHOZNR-OAHLLOKOSA-N -1 3 386.489 3.268 20 0 GGADHM C[S@](=O)C1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000619550318 567465452 /nfs/dbraw/zinc/46/54/52/567465452.db2.gz LVVAROUULSKFMM-NRFANRHFSA-N -1 3 377.940 3.134 20 0 GGADHM CN(C)C(=O)COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1Cl ZINC000550843022 567466194 /nfs/dbraw/zinc/46/61/94/567466194.db2.gz TVESAFHTDQCMFD-UHFFFAOYSA-N -1 3 383.231 3.418 20 0 GGADHM O=c1[nH]c(Cc2cc(Br)c3c(c2)OCCO3)nc2ccc([O-])cc12 ZINC000436930628 567467273 /nfs/dbraw/zinc/46/72/73/567467273.db2.gz YYQAUMGPFBLPFC-UHFFFAOYSA-N -1 3 389.205 3.166 20 0 GGADHM COc1cc(CNC(=O)c2ccc([O-])c(C)c2)cc(Br)c1OC ZINC000436927437 567467338 /nfs/dbraw/zinc/46/73/38/567467338.db2.gz NSNXQYGSUHPMEM-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(F)cc2nn[n-]c21 ZINC000503063511 567467678 /nfs/dbraw/zinc/46/76/78/567467678.db2.gz RKHVUIIRFQXYTA-UHFFFAOYSA-N -1 3 388.200 3.271 20 0 GGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(F)cc2[n-]nnc21 ZINC000503063511 567467682 /nfs/dbraw/zinc/46/76/82/567467682.db2.gz RKHVUIIRFQXYTA-UHFFFAOYSA-N -1 3 388.200 3.271 20 0 GGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(F)cc2n[n-]nc21 ZINC000503063511 567467686 /nfs/dbraw/zinc/46/76/86/567467686.db2.gz RKHVUIIRFQXYTA-UHFFFAOYSA-N -1 3 388.200 3.271 20 0 GGADHM COc1cccc(-c2nc(CS(=O)(=O)c3nc4c([n-]3)CCC4)cs2)c1 ZINC000570230073 567468183 /nfs/dbraw/zinc/46/81/83/567468183.db2.gz RBHZNZGPFVCWGE-UHFFFAOYSA-N -1 3 375.475 3.004 20 0 GGADHM COc1cc(Br)c(CSc2nc3nncc-3c(O)[n-]2)cc1OC ZINC000642117145 567468935 /nfs/dbraw/zinc/46/89/35/567468935.db2.gz IUPCMOXRPRQDOH-UHFFFAOYSA-N -1 3 397.254 3.131 20 0 GGADHM COc1cc(Br)c(NC(=O)c2cc(F)cc3[n-]nnc32)cc1OC ZINC000503136050 567469502 /nfs/dbraw/zinc/46/95/02/567469502.db2.gz XFCYTNIVEQFAAX-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM COc1cc(Br)c(NC(=O)c2cc(F)cc3nn[n-]c32)cc1OC ZINC000503136050 567469505 /nfs/dbraw/zinc/46/95/05/567469505.db2.gz XFCYTNIVEQFAAX-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM COc1cc(Br)c(NC(=O)c2cc(F)cc3n[n-]nc32)cc1OC ZINC000503136050 567469508 /nfs/dbraw/zinc/46/95/08/567469508.db2.gz XFCYTNIVEQFAAX-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)c2c1OCCC2 ZINC000570262648 567470008 /nfs/dbraw/zinc/47/00/08/567470008.db2.gz DMXGESWNTYDTOB-UHFFFAOYSA-N -1 3 391.147 3.163 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)c2c1OCCC2 ZINC000570262648 567470013 /nfs/dbraw/zinc/47/00/13/567470013.db2.gz DMXGESWNTYDTOB-UHFFFAOYSA-N -1 3 391.147 3.163 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@]2(C)CCCCO2)c(F)cc1F ZINC000457520592 567471416 /nfs/dbraw/zinc/47/14/16/567471416.db2.gz LFUUQZFVVLWEBX-INIZCTEOSA-N -1 3 376.425 3.014 20 0 GGADHM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000551020566 567474102 /nfs/dbraw/zinc/47/41/02/567474102.db2.gz NTFVMHYVDNXVNE-UHFFFAOYSA-N -1 3 382.507 3.014 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)no1 ZINC000570318895 567474936 /nfs/dbraw/zinc/47/49/36/567474936.db2.gz FKPBHZJEOVTMIB-OAHLLOKOSA-N -1 3 386.539 3.213 20 0 GGADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000642331633 567476343 /nfs/dbraw/zinc/47/63/43/567476343.db2.gz QUGFOOHTULLOGA-LLVKDONJSA-N -1 3 382.869 3.117 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@H]3CCCc4occc43)cc2N1 ZINC000642332869 567476467 /nfs/dbraw/zinc/47/64/67/567476467.db2.gz CPUGCNZXDOAWII-ZDUSSCGKSA-N -1 3 380.853 3.174 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478701248 567476858 /nfs/dbraw/zinc/47/68/58/567476858.db2.gz HOUFDIYUXABTAN-PELKAZGASA-N -1 3 386.823 3.261 20 0 GGADHM O=S(=O)(Cc1ccon1)[N-][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503247912 567476912 /nfs/dbraw/zinc/47/69/12/567476912.db2.gz SVLYDUAUBVYDFQ-QGZVFWFLSA-N -1 3 377.853 3.126 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000551095205 567478464 /nfs/dbraw/zinc/47/84/64/567478464.db2.gz DRULWSHPLONWJZ-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000478755578 567480430 /nfs/dbraw/zinc/48/04/30/567480430.db2.gz NDNZZPRXBMCZOS-KBPBESRZSA-N -1 3 394.306 3.460 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000642524103 567480547 /nfs/dbraw/zinc/48/05/47/567480547.db2.gz RCCWUBDKIZAEKP-MNOVXSKESA-N -1 3 382.345 3.384 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)OC(C)(C)C ZINC000594478969 567480887 /nfs/dbraw/zinc/48/08/87/567480887.db2.gz ZGEFKTZIACQKJX-SECBINFHSA-N -1 3 399.843 3.198 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000478761268 567481900 /nfs/dbraw/zinc/48/19/00/567481900.db2.gz BMZWNHZAXSMWPS-KGLIPLIRSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)[C@@H](CNCc1c(F)ccc(I)c1F)C(=O)[O-] ZINC000594540185 567483497 /nfs/dbraw/zinc/48/34/97/567483497.db2.gz DTFIWDOZKGGVPK-MRVPVSSYSA-N -1 3 383.176 3.016 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)NC(c2cccs2)c2cccs2)c1 ZINC000503401595 567483490 /nfs/dbraw/zinc/48/34/90/567483490.db2.gz GDVDLBAPXJVOJL-UHFFFAOYSA-N -1 3 393.515 3.096 20 0 GGADHM Cc1ccc(NC(=O)COc2ccc3c([O-])coc3c2)c(Br)c1 ZINC000642608639 567483803 /nfs/dbraw/zinc/48/38/03/567483803.db2.gz MEWPTQCUJUTMGT-UHFFFAOYSA-N -1 3 376.206 3.350 20 0 GGADHM O=c1cc(Cn2cc(C(F)(F)F)cc(Br)c2=O)nc(C2CC2)[n-]1 ZINC000570421095 567483749 /nfs/dbraw/zinc/48/37/49/567483749.db2.gz ZCAMIYZYYQBKBK-UHFFFAOYSA-N -1 3 390.159 3.051 20 0 GGADHM C[C@@H](NC(=O)COc1ccc2c([O-])coc2c1)c1ccc(Br)cc1 ZINC000642608611 567483866 /nfs/dbraw/zinc/48/38/66/567483866.db2.gz KERAOIXRHADNHA-LLVKDONJSA-N -1 3 390.233 3.280 20 0 GGADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000478791406 567484209 /nfs/dbraw/zinc/48/42/09/567484209.db2.gz XWHOGCXXUKSVIX-WDEREUQCSA-N -1 3 382.345 3.383 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3C(F)(F)F)C2)s1 ZINC000478792193 567484528 /nfs/dbraw/zinc/48/45/28/567484528.db2.gz ZOGYHONYTRETGM-NSHDSACASA-N -1 3 391.440 3.028 20 0 GGADHM Cc1csc([C@H]2COCCN2C(=O)c2cc([O-])cc(Br)c2)n1 ZINC000529082316 567485058 /nfs/dbraw/zinc/48/50/58/567485058.db2.gz QWNGVGJKJHBBEW-CYBMUJFWSA-N -1 3 383.267 3.133 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)Oc1ccccc1Cl ZINC000503450165 567485475 /nfs/dbraw/zinc/48/54/75/567485475.db2.gz SOIADEFEPFDIAZ-CYBMUJFWSA-N -1 3 383.901 3.009 20 0 GGADHM O=C(COc1ccsc1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000503467801 567487539 /nfs/dbraw/zinc/48/75/39/567487539.db2.gz QGLIFTHZVIMFQW-UHFFFAOYSA-N -1 3 396.241 3.479 20 0 GGADHM Cn1nc(C(F)(F)F)cc1CNC[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000663259214 567488068 /nfs/dbraw/zinc/48/80/68/567488068.db2.gz SLMDXSGJXWBZFR-LLVKDONJSA-N -1 3 375.778 3.125 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)oc1C ZINC000437288309 567488349 /nfs/dbraw/zinc/48/83/49/567488349.db2.gz MRACBECMBSFMSG-MNOVXSKESA-N -1 3 383.388 3.022 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)nc2cccc(Cl)c21 ZINC000551215765 567488701 /nfs/dbraw/zinc/48/87/01/567488701.db2.gz WKNRWKRXTJDFNG-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM Cc1csc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c1Cl ZINC000478879828 567488865 /nfs/dbraw/zinc/48/88/65/567488865.db2.gz NQGSJJKSNSINEJ-UHFFFAOYSA-N -1 3 386.882 3.208 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437308643 567489715 /nfs/dbraw/zinc/48/97/15/567489715.db2.gz UBIHBHUNYCMJEU-UWVGGRQHSA-N -1 3 385.429 3.182 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1nc(C(F)(F)F)cs1 ZINC000503502142 567490258 /nfs/dbraw/zinc/49/02/58/567490258.db2.gz FTJJLYSSJPBIAC-VIFPVBQESA-N -1 3 394.444 3.124 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503519608 567491581 /nfs/dbraw/zinc/49/15/81/567491581.db2.gz SDNDFSMPNXQNME-MRVPVSSYSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503519608 567491590 /nfs/dbraw/zinc/49/15/90/567491590.db2.gz SDNDFSMPNXQNME-MRVPVSSYSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503519608 567491596 /nfs/dbraw/zinc/49/15/96/567491596.db2.gz SDNDFSMPNXQNME-MRVPVSSYSA-N -1 3 395.207 3.360 20 0 GGADHM O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc([O-])cc(Br)c1 ZINC000529168984 567494295 /nfs/dbraw/zinc/49/42/95/567494295.db2.gz SQWSQGSXSPGRCG-FUHWJXTLSA-N -1 3 394.240 3.190 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(Br)cc(Br)c1 ZINC000529169586 567494323 /nfs/dbraw/zinc/49/43/23/567494323.db2.gz WSTPCYHRAIQLHL-QMMMGPOBSA-N -1 3 394.063 3.301 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000479019078 567495756 /nfs/dbraw/zinc/49/57/56/567495756.db2.gz DBWVMSWBNLVWEC-UHFFFAOYSA-N -1 3 395.228 3.111 20 0 GGADHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000643193267 567496540 /nfs/dbraw/zinc/49/65/40/567496540.db2.gz CPPHUKDEMBVHRH-SNVBAGLBSA-N -1 3 393.408 3.058 20 0 GGADHM O=S(=O)([N-]CCN1Cc2ccccc2C1)c1ccc(C(F)(F)F)s1 ZINC000643190301 567496820 /nfs/dbraw/zinc/49/68/20/567496820.db2.gz QYNJKVUWDCPSPD-UHFFFAOYSA-N -1 3 376.425 3.061 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1OC(F)F ZINC000643211005 567499086 /nfs/dbraw/zinc/49/90/86/567499086.db2.gz SZNLCXUDMBSBEC-ZLKJLUDKSA-N -1 3 393.839 3.177 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccncc1 ZINC000643209066 567499126 /nfs/dbraw/zinc/49/91/26/567499126.db2.gz AMCKASWIICFFME-JTQLQIEISA-N -1 3 376.812 3.418 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2cc(O)ccc2C1)c1ccc(C(F)(F)F)s1 ZINC000643207253 567499246 /nfs/dbraw/zinc/49/92/46/567499246.db2.gz PXRTXTGELNACJB-NSHDSACASA-N -1 3 377.409 3.308 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)s1 ZINC000643209712 567499554 /nfs/dbraw/zinc/49/95/54/567499554.db2.gz VHBJVWGLVKAIPL-SNVBAGLBSA-N -1 3 399.843 3.475 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1OC(F)F ZINC000643211004 567499686 /nfs/dbraw/zinc/49/96/86/567499686.db2.gz SZNLCXUDMBSBEC-LERXQTSPSA-N -1 3 393.839 3.177 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643209104 567499926 /nfs/dbraw/zinc/49/99/26/567499926.db2.gz JRPRFIGNXLPGAM-GFCCVEGCSA-N -1 3 382.860 3.094 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C ZINC000594700614 567500006 /nfs/dbraw/zinc/50/00/06/567500006.db2.gz JJJIHNFSAUBHPB-UHFFFAOYSA-N -1 3 398.706 3.352 20 0 GGADHM Cc1nc(C)c(CC(=O)N(C)[C@@H](C)c2ccccc2Br)c(=O)[n-]1 ZINC000503669703 567500301 /nfs/dbraw/zinc/50/03/01/567500301.db2.gz GLHDITDNJGBUQA-NSHDSACASA-N -1 3 378.270 3.324 20 0 GGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)C(F)(F)F ZINC000594699633 567500846 /nfs/dbraw/zinc/50/08/46/567500846.db2.gz LWKICSKWUCJTTR-AWEZNQCLSA-N -1 3 375.368 3.002 20 0 GGADHM CC(C)C(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000551358442 567500932 /nfs/dbraw/zinc/50/09/32/567500932.db2.gz VWLAJLMWPQSHNS-UHFFFAOYSA-N -1 3 381.325 3.213 20 0 GGADHM Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000551386840 567501860 /nfs/dbraw/zinc/50/18/60/567501860.db2.gz WLLHSHZFAQWTRA-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccco1 ZINC000503706650 567502361 /nfs/dbraw/zinc/50/23/61/567502361.db2.gz FHGMELKQEJCWKO-LLVKDONJSA-N -1 3 379.356 3.234 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)s1 ZINC000437646565 567502429 /nfs/dbraw/zinc/50/24/29/567502429.db2.gz PDYQVWSTJMYMOC-WCQYABFASA-N -1 3 397.595 3.338 20 0 GGADHM CO[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000620169697 567503095 /nfs/dbraw/zinc/50/30/95/567503095.db2.gz SSASQQTZJXPQKB-KRWDZBQOSA-N -1 3 393.281 3.226 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(C(F)(F)F)s1 ZINC000570669189 567503712 /nfs/dbraw/zinc/50/37/12/567503712.db2.gz CUQKQGGSIXQZAM-NWDGAFQWSA-N -1 3 392.424 3.361 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccco1 ZINC000503735061 567503871 /nfs/dbraw/zinc/50/38/71/567503871.db2.gz YRHGAPRMTGANPD-GFCCVEGCSA-N -1 3 392.246 3.237 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccco1 ZINC000503730640 567504030 /nfs/dbraw/zinc/50/40/30/567504030.db2.gz AIHSKOIROUZGAB-CYBMUJFWSA-N -1 3 379.356 3.234 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccco1 ZINC000503769169 567504784 /nfs/dbraw/zinc/50/47/84/567504784.db2.gz DIZFTQIPKZELSI-AWEZNQCLSA-N -1 3 378.475 3.459 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCOC1 ZINC000503821345 567506295 /nfs/dbraw/zinc/50/62/95/567506295.db2.gz SCQOEWIJFHBYFH-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCOC1 ZINC000503821346 567506386 /nfs/dbraw/zinc/50/63/86/567506386.db2.gz SCQOEWIJFHBYFH-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCOC1 ZINC000503821344 567506408 /nfs/dbraw/zinc/50/64/08/567506408.db2.gz SCQOEWIJFHBYFH-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCOc2c(Cl)cccc21)c1cn2c(n1)CCCC2 ZINC000503779030 567506595 /nfs/dbraw/zinc/50/65/95/567506595.db2.gz WNMZISKYDHCWLD-CQSZACIVSA-N -1 3 381.885 3.065 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1ccco1 ZINC000503808609 567506628 /nfs/dbraw/zinc/50/66/28/567506628.db2.gz DGGWREUGEYMGJT-CYBMUJFWSA-N -1 3 392.246 3.237 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)c1ccco1 ZINC000503798212 567506714 /nfs/dbraw/zinc/50/67/14/567506714.db2.gz XUBSZLUFPAHCHQ-NSHDSACASA-N -1 3 394.312 3.468 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C)c1ccco1 ZINC000503796480 567506869 /nfs/dbraw/zinc/50/68/69/567506869.db2.gz FOXVNLNITYSIGY-CYBMUJFWSA-N -1 3 388.283 3.407 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)Oc1cccc(Cl)c1 ZINC000503815043 567506985 /nfs/dbraw/zinc/50/69/85/567506985.db2.gz KVIFDBXEWPUHJZ-AWEZNQCLSA-N -1 3 383.901 3.009 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1Cl ZINC000479143003 567507115 /nfs/dbraw/zinc/50/71/15/567507115.db2.gz SGJVFUOZFJTJBT-ZDUSSCGKSA-N -1 3 384.807 3.308 20 0 GGADHM CCSCc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000437764284 567507762 /nfs/dbraw/zinc/50/77/62/567507762.db2.gz LVXRYANBPWFGHS-UHFFFAOYSA-N -1 3 399.563 3.101 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)c1ccco1 ZINC000503823323 567508483 /nfs/dbraw/zinc/50/84/83/567508483.db2.gz HLNDEOQQTDMIPZ-ZDUSSCGKSA-N -1 3 392.246 3.237 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2F)c1OC ZINC000551467301 567508857 /nfs/dbraw/zinc/50/88/57/567508857.db2.gz CGFJTLSJDIPOGT-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C)cc1F ZINC000503860518 567509392 /nfs/dbraw/zinc/50/93/92/567509392.db2.gz WKMBIDUCSFCPJS-UHFFFAOYSA-N -1 3 377.453 3.454 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C(F)(F)F)nc1C ZINC000503856406 567509455 /nfs/dbraw/zinc/50/94/55/567509455.db2.gz GAVWLVWAUZHGDG-NSHDSACASA-N -1 3 375.416 3.140 20 0 GGADHM CC(C)CC1(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000620285172 567509750 /nfs/dbraw/zinc/50/97/50/567509750.db2.gz SYPCSEYBLNRFMR-UHFFFAOYSA-N -1 3 378.416 3.385 20 0 GGADHM FC(F)(F)C[N-]c1nnc(Sc2nc(C3CCOCC3)ns2)s1 ZINC000663479450 567510926 /nfs/dbraw/zinc/51/09/26/567510926.db2.gz RCIOVHYNGNCBHW-UHFFFAOYSA-N -1 3 383.446 3.409 20 0 GGADHM C[C@]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)(C1CC1)C(F)(F)F ZINC000479167952 567511691 /nfs/dbraw/zinc/51/16/91/567511691.db2.gz RDKZTDABFLNLBP-NSHDSACASA-N -1 3 392.321 3.032 20 0 GGADHM 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GGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000458222199 567533798 /nfs/dbraw/zinc/53/37/98/567533798.db2.gz LDFVCVPMTVDCII-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000479437465 567534133 /nfs/dbraw/zinc/53/41/33/567534133.db2.gz KOWLJBFFYQAZON-IINYFYTJSA-N -1 3 394.306 3.460 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000551764673 567534442 /nfs/dbraw/zinc/53/44/42/567534442.db2.gz XCEWQLXRMJFHQQ-MRVPVSSYSA-N -1 3 396.387 3.212 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000438525424 567534579 /nfs/dbraw/zinc/53/45/79/567534579.db2.gz VDPQBZASRFCBOM-YPMHNXCESA-N -1 3 378.416 3.157 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000479437467 567534993 /nfs/dbraw/zinc/53/49/93/567534993.db2.gz KOWLJBFFYQAZON-QMTHXVAHSA-N -1 3 394.306 3.460 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000551764674 567535211 /nfs/dbraw/zinc/53/52/11/567535211.db2.gz XCEWQLXRMJFHQQ-QMMMGPOBSA-N -1 3 396.387 3.212 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1 ZINC000504502554 567536986 /nfs/dbraw/zinc/53/69/86/567536986.db2.gz KTGHQKRKCQJSQB-UHFFFAOYSA-N -1 3 397.225 3.308 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000571106336 567537509 /nfs/dbraw/zinc/53/75/09/567537509.db2.gz GHPLBLPOJWSQRL-NWDGAFQWSA-N -1 3 391.320 3.205 20 0 GGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cccc(OC(F)(F)F)c1F ZINC000644167394 567537568 /nfs/dbraw/zinc/53/75/68/567537568.db2.gz LQQIAIFRPMZROU-NSHDSACASA-N -1 3 375.343 3.343 20 0 GGADHM COc1ccc(CN2CCc3nc(C4CC4)ncc3C2)c(Br)c1[O-] ZINC000529666629 567538421 /nfs/dbraw/zinc/53/84/21/567538421.db2.gz ZUOOVKPSXKVAQT-UHFFFAOYSA-N -1 3 390.281 3.389 20 0 GGADHM C[C@@]1(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC=CCC1 ZINC000458306493 567538728 /nfs/dbraw/zinc/53/87/28/567538728.db2.gz GQUCIMFXJHUREZ-MRXNPFEDSA-N -1 3 391.320 3.277 20 0 GGADHM Cc1ccc(Br)c(C)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000551851389 567539135 /nfs/dbraw/zinc/53/91/35/567539135.db2.gz QFDLDODTCSAUFW-UHFFFAOYSA-N -1 3 386.253 3.422 20 0 GGADHM Cc1ccc(Br)c(C)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000551851389 567539143 /nfs/dbraw/zinc/53/91/43/567539143.db2.gz QFDLDODTCSAUFW-UHFFFAOYSA-N -1 3 386.253 3.422 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000620734473 567539980 /nfs/dbraw/zinc/53/99/80/567539980.db2.gz PLPPAXMRHWHCIN-MRVPVSSYSA-N -1 3 396.387 3.212 20 0 GGADHM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000504600274 567541279 /nfs/dbraw/zinc/54/12/79/567541279.db2.gz ZRTFBKWJLQFKAR-LLVKDONJSA-N -1 3 384.910 3.220 20 0 GGADHM C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000504600275 567541456 /nfs/dbraw/zinc/54/14/56/567541456.db2.gz ZRTFBKWJLQFKAR-NSHDSACASA-N -1 3 384.910 3.220 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)c1nc(C)cs1 ZINC000571181506 567543341 /nfs/dbraw/zinc/54/33/41/567543341.db2.gz UTKRGKDDIQXFMZ-ZDUSSCGKSA-N -1 3 378.479 3.295 20 0 GGADHM COc1ccc(CNc2ccc(N3CCNC3=O)cc2)c(Br)c1[O-] ZINC000479535048 567543970 /nfs/dbraw/zinc/54/39/70/567543970.db2.gz GGUWRAWXYSWAQS-UHFFFAOYSA-N -1 3 392.253 3.305 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCOCC1 ZINC000644232744 567543982 /nfs/dbraw/zinc/54/39/82/567543982.db2.gz KLBVPWZGSOTGKE-UHFFFAOYSA-N -1 3 396.336 3.332 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC000644273933 567545048 /nfs/dbraw/zinc/54/50/48/567545048.db2.gz FCVLSOHZNLXHKM-QPUJVOFHSA-N -1 3 389.848 3.186 20 0 GGADHM CSc1nsc([N-]C(=O)c2cnnn2-c2c(Cl)cccc2Cl)n1 ZINC000479571593 567545557 /nfs/dbraw/zinc/54/55/57/567545557.db2.gz VCSUALNSNHBROG-UHFFFAOYSA-N -1 3 387.277 3.400 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC000644278361 567546136 /nfs/dbraw/zinc/54/61/36/567546136.db2.gz NZHWTSWFNDXIEW-CPCISQLKSA-N -1 3 378.199 3.118 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC000644278368 567546602 /nfs/dbraw/zinc/54/66/02/567546602.db2.gz NZHWTSWFNDXIEW-WRWORJQWSA-N -1 3 378.199 3.118 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Cl)cc(Cl)c1 ZINC000644279204 567546883 /nfs/dbraw/zinc/54/68/83/567546883.db2.gz QPTFPYNGLJTXJL-ONGXEEELSA-N -1 3 378.199 3.118 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000551986067 567547585 /nfs/dbraw/zinc/54/75/85/567547585.db2.gz WOUAXXIKZAKRGU-ZFWWWQNUSA-N -1 3 387.929 3.470 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C2(Cc3ccccc3Br)CC2)c[nH]1 ZINC000644348381 567549536 /nfs/dbraw/zinc/54/95/36/567549536.db2.gz UVPDAKQYMQPKNK-UHFFFAOYSA-N -1 3 398.326 3.349 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(CC)(CC)OC ZINC000644362942 567551019 /nfs/dbraw/zinc/55/10/19/567551019.db2.gz SSZNXERYUHHUPC-UHFFFAOYSA-N -1 3 394.331 3.331 20 0 GGADHM CN(Cc1ccc(I)cc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279099 567551196 /nfs/dbraw/zinc/55/11/96/567551196.db2.gz HUHQQMLULQWTLH-JGZJWPJOSA-N -1 3 379.625 3.240 20 0 GGADHM O=C([O-])[C@@H]1CN(CC[S@](=O)c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000595279051 567551259 /nfs/dbraw/zinc/55/12/59/567551259.db2.gz DIWLKHUIFQGCSF-ATLLOTDBSA-N -1 3 377.893 3.248 20 0 GGADHM O=S(=O)(Cc1sccc1Br)c1nnc(Cc2ccccc2)[n-]1 ZINC000479664143 567551277 /nfs/dbraw/zinc/55/12/77/567551277.db2.gz LFPJNCGPOBOXNW-UHFFFAOYSA-N -1 3 398.307 3.193 20 0 GGADHM CC(C)[C@@H](CO)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000458558477 567554329 /nfs/dbraw/zinc/55/43/29/567554329.db2.gz UKIMEBOTAIBITQ-CJNGLKHVSA-N -1 3 387.318 3.243 20 0 GGADHM Cc1ccccc1[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000504964752 567554849 /nfs/dbraw/zinc/55/48/49/567554849.db2.gz CKONMWIFTGTNQY-ZDUSSCGKSA-N -1 3 398.937 3.004 20 0 GGADHM CC(C)CN(Cc1cnn(C)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000458562224 567554932 /nfs/dbraw/zinc/55/49/32/567554932.db2.gz XTLNUZOTMNJXGQ-UHFFFAOYSA-N -1 3 395.301 3.256 20 0 GGADHM CCCC1CCC(N(C)C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000479731095 567556414 /nfs/dbraw/zinc/55/64/14/567556414.db2.gz SMAOXOHZQDOMJM-UHFFFAOYSA-N -1 3 387.571 3.027 20 0 GGADHM Cc1nc2ccc(Br)cn2c1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000479743386 567556688 /nfs/dbraw/zinc/55/66/88/567556688.db2.gz JIUADAWRYVLPMN-UHFFFAOYSA-N -1 3 396.248 3.470 20 0 GGADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000479777156 567558484 /nfs/dbraw/zinc/55/84/84/567558484.db2.gz NRXFVNLLRYABKJ-CYBMUJFWSA-N -1 3 378.270 3.346 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(F)cc2nn[n-]c21 ZINC000505113507 567559816 /nfs/dbraw/zinc/55/98/16/567559816.db2.gz LCARZPPTOGOUIV-TVQRCGJNSA-N -1 3 393.191 3.285 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(F)cc2[n-]nnc21 ZINC000505113507 567559819 /nfs/dbraw/zinc/55/98/19/567559819.db2.gz LCARZPPTOGOUIV-TVQRCGJNSA-N -1 3 393.191 3.285 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000505113507 567559823 /nfs/dbraw/zinc/55/98/23/567559823.db2.gz LCARZPPTOGOUIV-TVQRCGJNSA-N -1 3 393.191 3.285 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000505118930 567560202 /nfs/dbraw/zinc/56/02/02/567560202.db2.gz XLSAYENDAPBCOA-UHFFFAOYSA-N -1 3 393.216 3.140 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000505118930 567560209 /nfs/dbraw/zinc/56/02/09/567560209.db2.gz XLSAYENDAPBCOA-UHFFFAOYSA-N -1 3 393.216 3.140 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000505118930 567560216 /nfs/dbraw/zinc/56/02/16/567560216.db2.gz XLSAYENDAPBCOA-UHFFFAOYSA-N -1 3 393.216 3.140 20 0 GGADHM Cc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC000479820678 567561163 /nfs/dbraw/zinc/56/11/63/567561163.db2.gz DOVIFJJFBKNAJN-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(Br)c1 ZINC000479820678 567561167 /nfs/dbraw/zinc/56/11/67/567561167.db2.gz DOVIFJJFBKNAJN-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Br)c1 ZINC000479820678 567561168 /nfs/dbraw/zinc/56/11/68/567561168.db2.gz DOVIFJJFBKNAJN-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM COc1ccc(Br)cc1CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000439019044 567561368 /nfs/dbraw/zinc/56/13/68/567561368.db2.gz JJXCFFJPCGVSLZ-UHFFFAOYSA-N -1 3 386.249 3.451 20 0 GGADHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000552128865 567561895 /nfs/dbraw/zinc/56/18/95/567561895.db2.gz YQIUWAMBHLPZRV-UHFFFAOYSA-N -1 3 385.844 3.055 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(c2cccc(Br)c2)CC1 ZINC000439009992 567561972 /nfs/dbraw/zinc/56/19/72/567561972.db2.gz PXRAMEQIWQGAIA-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(c2cccc(Br)c2)CC1 ZINC000439009992 567561978 /nfs/dbraw/zinc/56/19/78/567561978.db2.gz PXRAMEQIWQGAIA-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(c2cccc(Br)c2)CC1 ZINC000439009992 567561985 /nfs/dbraw/zinc/56/19/85/567561985.db2.gz 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ZINC000505287245 567568339 /nfs/dbraw/zinc/56/83/39/567568339.db2.gz JDGORSDUDDAYQN-UHFFFAOYSA-N -1 3 382.207 3.230 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000571514901 567568643 /nfs/dbraw/zinc/56/86/43/567568643.db2.gz XWEXGOBSJQCUKQ-UHFFFAOYSA-N -1 3 382.913 3.395 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000479921817 567568593 /nfs/dbraw/zinc/56/85/93/567568593.db2.gz JETNHIHAQAATRR-CQSZACIVSA-N -1 3 380.491 3.140 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000479921816 567569005 /nfs/dbraw/zinc/56/90/05/567569005.db2.gz JETNHIHAQAATRR-AWEZNQCLSA-N -1 3 380.491 3.140 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000552258918 567571596 /nfs/dbraw/zinc/57/15/96/567571596.db2.gz FOHCIGZRIAYPPZ-NXEZZACHSA-N -1 3 382.379 3.041 20 0 GGADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000479967685 567571565 /nfs/dbraw/zinc/57/15/65/567571565.db2.gz UKKHYMACJQRVCX-QPUJVOFHSA-N -1 3 385.237 3.373 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000571557021 567571837 /nfs/dbraw/zinc/57/18/37/567571837.db2.gz SPVJTKHAAIITPW-QZTJIDSGSA-N -1 3 387.929 3.152 20 0 GGADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000479967683 567571869 /nfs/dbraw/zinc/57/18/69/567571869.db2.gz UKKHYMACJQRVCX-PELKAZGASA-N -1 3 385.237 3.373 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000571557028 567572188 /nfs/dbraw/zinc/57/21/88/567572188.db2.gz SPVJTKHAAIITPW-ZWKOTPCHSA-N -1 3 387.929 3.152 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)CCCC1 ZINC000571572441 567572276 /nfs/dbraw/zinc/57/22/76/567572276.db2.gz MTKXMTLGYALNFH-UHFFFAOYSA-N -1 3 379.400 3.489 20 0 GGADHM C[C@@H](C(=O)N=c1[nH][n-]cc1Br)c1ccc(Br)s1 ZINC000552287175 567572887 /nfs/dbraw/zinc/57/28/87/567572887.db2.gz KJANEYRCTHRREC-RXMQYKEDSA-N -1 3 379.077 3.160 20 0 GGADHM Cc1ccccc1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552293596 567573013 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COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(C)o1 ZINC000480019319 567575759 /nfs/dbraw/zinc/57/57/59/567575759.db2.gz LSIPYIJSRIETBK-JTQLQIEISA-N -1 3 394.312 3.468 20 0 GGADHM Cc1cncc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)c1 ZINC000439253110 567576829 /nfs/dbraw/zinc/57/68/29/567576829.db2.gz ZRWADKBQKNTVKO-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCOc2c(F)cccc21)c1cc(F)c(F)c(F)c1 ZINC000480044715 567577660 /nfs/dbraw/zinc/57/76/60/567577660.db2.gz JZRWVHKDUSEJDG-CQSZACIVSA-N -1 3 375.343 3.435 20 0 GGADHM CN(C)CCn1ccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000571652609 567579558 /nfs/dbraw/zinc/57/95/58/567579558.db2.gz AHXXGLHGGZTYTC-UHFFFAOYSA-N -1 3 377.659 3.363 20 0 GGADHM CCCC[C@H](C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C(C)C ZINC000621343274 567580027 /nfs/dbraw/zinc/58/00/27/567580027.db2.gz AHJAREAKUCZFPQ-INIZCTEOSA-N -1 3 386.583 3.480 20 0 GGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000480158732 567583542 /nfs/dbraw/zinc/58/35/42/567583542.db2.gz HFOUGJZXIPXHIS-UHFFFAOYSA-N -1 3 375.233 3.366 20 0 GGADHM O=S(=O)(CCC1CC1)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000644871454 567586331 /nfs/dbraw/zinc/58/63/31/567586331.db2.gz POTUMJGSARZRLI-UHFFFAOYSA-N -1 3 390.196 3.225 20 0 GGADHM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000595847898 567586711 /nfs/dbraw/zinc/58/67/11/567586711.db2.gz IREHCLQFCUZMOR-PBHICJAKSA-N -1 3 399.285 3.076 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000644877998 567586796 /nfs/dbraw/zinc/58/67/96/567586796.db2.gz ATOJPEZWPANYCT-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc(Cl)c1F ZINC000480214423 567588482 /nfs/dbraw/zinc/58/84/82/567588482.db2.gz CEUMEPOOZIXVFR-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000480207890 567589005 /nfs/dbraw/zinc/58/90/05/567589005.db2.gz UTLUOWQTPBJLPW-UHFFFAOYSA-N -1 3 390.248 3.156 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000571798709 567589374 /nfs/dbraw/zinc/58/93/74/567589374.db2.gz TWWSFKXFQOSDSG-JTNHKYCSSA-N -1 3 388.917 3.410 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c(F)c1 ZINC000530284806 567589526 /nfs/dbraw/zinc/58/95/26/567589526.db2.gz IZZNJZFTCRBAPN-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM O=C(CNC(=O)c1cccc(Br)c1)Nc1c([O-])cccc1Cl ZINC000552435611 567589851 /nfs/dbraw/zinc/58/98/51/567589851.db2.gz PRMMTWWKGWPXHS-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM CCc1c([N-]S(=O)(=O)N(C)CC)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000480232465 567590387 /nfs/dbraw/zinc/59/03/87/567590387.db2.gz TXHLVIBPMRVJMY-UHFFFAOYSA-N -1 3 376.404 3.062 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)cs1 ZINC000644900145 567590428 /nfs/dbraw/zinc/59/04/28/567590428.db2.gz OICJAIKEPPRAGV-UHFFFAOYSA-N -1 3 376.551 3.352 20 0 GGADHM C[C@H]1C[C@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CO1 ZINC000439501560 567590705 /nfs/dbraw/zinc/59/07/05/567590705.db2.gz SZROUVFKVHZGIB-IUCAKERBSA-N -1 3 384.661 3.278 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCc2cc(Br)cc(F)c2C1 ZINC000530316699 567591875 /nfs/dbraw/zinc/59/18/75/567591875.db2.gz KYEWSYFTRCSLOV-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCc2cc(Br)cc(F)c2C1 ZINC000530316699 567591880 /nfs/dbraw/zinc/59/18/80/567591880.db2.gz KYEWSYFTRCSLOV-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCc2cc(Br)cc(F)c2C1 ZINC000530316699 567591883 /nfs/dbraw/zinc/59/18/83/567591883.db2.gz KYEWSYFTRCSLOV-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000530329739 567593644 /nfs/dbraw/zinc/59/36/44/567593644.db2.gz NXCSVZZPAIGDPQ-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000530331491 567593834 /nfs/dbraw/zinc/59/38/34/567593834.db2.gz YJECAKIOIZVNIS-CYBMUJFWSA-N -1 3 387.885 3.176 20 0 GGADHM C[C@@H](Sc1n[nH]c(CO)n1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000530346998 567594926 /nfs/dbraw/zinc/59/49/26/567594926.db2.gz VQBGVXKXLZSBOM-SSDOTTSWSA-N -1 3 375.435 3.121 20 0 GGADHM C[C@H](Sc1n[nH]c(CO)n1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000530346999 567595381 /nfs/dbraw/zinc/59/53/81/567595381.db2.gz VQBGVXKXLZSBOM-ZETCQYMHSA-N -1 3 375.435 3.121 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000571870026 567595744 /nfs/dbraw/zinc/59/57/44/567595744.db2.gz YVVCWNQRDKJCFM-QFYYESIMSA-N -1 3 398.278 3.258 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c(Cl)c1Cl ZINC000571863657 567595824 /nfs/dbraw/zinc/59/58/24/567595824.db2.gz LMIDLZWLARIINE-UHFFFAOYSA-N -1 3 394.305 3.209 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c(F)c1 ZINC000530372536 567596103 /nfs/dbraw/zinc/59/61/03/567596103.db2.gz QSARECXNZROTEL-AWEZNQCLSA-N -1 3 381.450 3.128 20 0 GGADHM CC[C@H](C)N(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000664881165 567596677 /nfs/dbraw/zinc/59/66/77/567596677.db2.gz VFDZMLGFZIPBGB-NSHDSACASA-N -1 3 396.340 3.102 20 0 GGADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)nn1 ZINC000480336657 567597545 /nfs/dbraw/zinc/59/75/45/567597545.db2.gz QJYRJVHFEFMEER-UHFFFAOYSA-N -1 3 376.873 3.381 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CSc2ccccc2Cl)ccc1F ZINC000552606016 567599036 /nfs/dbraw/zinc/59/90/36/567599036.db2.gz GSAQOKJUHMTBKW-UHFFFAOYSA-N -1 3 388.873 3.118 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccc(F)c(F)c1 ZINC000552617926 567599223 /nfs/dbraw/zinc/59/92/23/567599223.db2.gz JWDUECTZEBISRB-HNNXBMFYSA-N -1 3 377.359 3.217 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2F)c1 ZINC000571933849 567599779 /nfs/dbraw/zinc/59/97/79/567599779.db2.gz KTXUUBDNZOBJQL-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Cl ZINC000596027355 567600310 /nfs/dbraw/zinc/60/03/10/567600310.db2.gz ALGVDGUMKFQWHP-UHFFFAOYSA-N -1 3 389.779 3.180 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(C)n2)sc1Br ZINC000480396676 567600733 /nfs/dbraw/zinc/60/07/33/567600733.db2.gz NXQRFBQWBODYMA-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1F ZINC000480398404 567600786 /nfs/dbraw/zinc/60/07/86/567600786.db2.gz UMZWANRCUJSKIQ-HNNXBMFYSA-N -1 3 382.888 3.280 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1ccc(Cl)c(Br)c1 ZINC000530428338 567601820 /nfs/dbraw/zinc/60/18/20/567601820.db2.gz BMXKXQXRIDJGFV-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)n(C2CCN(C)CC2)n1 ZINC000530440355 567602433 /nfs/dbraw/zinc/60/24/33/567602433.db2.gz TXPRXHCTBARBJR-UHFFFAOYSA-N -1 3 388.946 3.282 20 0 GGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cn1 ZINC000571967176 567602917 /nfs/dbraw/zinc/60/29/17/567602917.db2.gz PTSBCZIRLRGEQB-UHFFFAOYSA-N -1 3 390.690 3.364 20 0 GGADHM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1c(Cl)cccc1Cl ZINC000480425683 567603322 /nfs/dbraw/zinc/60/33/22/567603322.db2.gz NTHJWZDMVAOSMD-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480425178 567603533 /nfs/dbraw/zinc/60/35/33/567603533.db2.gz IHRCOJDVCYWBFG-UHFFFAOYSA-N -1 3 383.844 3.079 20 0 GGADHM O=S(=O)(NC1CC1)c1cccc(NCc2cc([O-])ccc2Br)c1 ZINC000571972204 567603902 /nfs/dbraw/zinc/60/39/02/567603902.db2.gz GZFUELOTYBOQIG-UHFFFAOYSA-N -1 3 397.294 3.208 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(Br)c2)c1 ZINC000645094286 567604044 /nfs/dbraw/zinc/60/40/44/567604044.db2.gz GDJVHAVCHHSYHR-SNVBAGLBSA-N -1 3 390.278 3.405 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC1(OC)CCC1 ZINC000645089272 567604225 /nfs/dbraw/zinc/60/42/25/567604225.db2.gz GZOIMPUYVKYXDP-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)s1 ZINC000645094524 567605088 /nfs/dbraw/zinc/60/50/88/567605088.db2.gz KGDVRZHSBAUTMQ-ZDUSSCGKSA-N -1 3 380.535 3.467 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3cccc(C)n3)s2)cs1 ZINC000530478781 567605104 /nfs/dbraw/zinc/60/51/04/567605104.db2.gz WYYFAMSHAWVQAJ-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM O=S(=O)([N-][C@H]1CCSC1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000530480560 567605496 /nfs/dbraw/zinc/60/54/96/567605496.db2.gz RBQYHDRBDBOBMS-KBPBESRZSA-N -1 3 391.942 3.072 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)C1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000645099907 567605656 /nfs/dbraw/zinc/60/56/56/567605656.db2.gz RXCLMNLKESBXLJ-GFCCVEGCSA-N -1 3 383.407 3.312 20 0 GGADHM COc1cc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)ccc1[O-] ZINC000480447578 567605997 /nfs/dbraw/zinc/60/59/97/567605997.db2.gz KRZFODJCUCNECA-WBVHZDCISA-N -1 3 382.243 3.438 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C)CCC(OC)CC1 ZINC000480442462 567606184 /nfs/dbraw/zinc/60/61/84/567606184.db2.gz TYEQPTPXTHROMR-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Br)ccc2C)c1 ZINC000439888683 567607306 /nfs/dbraw/zinc/60/73/06/567607306.db2.gz OWBFEXGQZDKHRG-UHFFFAOYSA-N -1 3 377.238 3.352 20 0 GGADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)cc(S(=O)(=O)N(C)C)c1C ZINC000552780823 567607802 /nfs/dbraw/zinc/60/78/02/567607802.db2.gz RDHXUUHMGGCGIV-UHFFFAOYSA-N -1 3 382.869 3.165 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552780503 567607861 /nfs/dbraw/zinc/60/78/61/567607861.db2.gz AHNPZPXOQAHZCX-LLVKDONJSA-N -1 3 382.869 3.375 20 0 GGADHM CCO[C@@H]1C[C@](O)(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1(C)C ZINC000530510339 567609084 /nfs/dbraw/zinc/60/90/84/567609084.db2.gz UDRHWFSTWPGZEU-PXAZEXFGSA-N -1 3 383.901 3.088 20 0 GGADHM O=C(CCc1ccoc1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000439956594 567609825 /nfs/dbraw/zinc/60/98/25/567609825.db2.gz MWKKULVICUWFIY-UHFFFAOYSA-N -1 3 386.832 3.084 20 0 GGADHM CS(=O)(=O)Nc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1Cl ZINC000552782446 567609774 /nfs/dbraw/zinc/60/97/74/567609774.db2.gz NQOQKSCKNMBSBG-UHFFFAOYSA-N -1 3 375.233 3.323 20 0 GGADHM CN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1Cc1ccccc1 ZINC000552804978 567611079 /nfs/dbraw/zinc/61/10/79/567611079.db2.gz ULVMNJLMKQHEII-MRXNPFEDSA-N -1 3 389.293 3.154 20 0 GGADHM O=C(c1cccc(F)c1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459310053 567612802 /nfs/dbraw/zinc/61/28/02/567612802.db2.gz MBYLAQYCJJLEIM-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM NC(=O)c1ccc(CN(Cc2cccc([O-])c2Br)C2CC2)cc1 ZINC000459290696 567612963 /nfs/dbraw/zinc/61/29/63/567612963.db2.gz BTXGETNRABSXDH-UHFFFAOYSA-N -1 3 375.266 3.418 20 0 GGADHM CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459298561 567613085 /nfs/dbraw/zinc/61/30/85/567613085.db2.gz ABPDNAOVITZHGL-UHFFFAOYSA-N -1 3 381.263 3.437 20 0 GGADHM C[C@H](c1ccc(Br)cc1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000572100611 567613258 /nfs/dbraw/zinc/61/32/58/567613258.db2.gz PCKNQFTYGUHMHU-SNVBAGLBSA-N -1 3 397.294 3.498 20 0 GGADHM COc1ccc(Br)cc1CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459294618 567613303 /nfs/dbraw/zinc/61/33/03/567613303.db2.gz CDZYIZLKKZXMJO-UHFFFAOYSA-N -1 3 378.270 3.463 20 0 GGADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCCOC1 ZINC000552833163 567613813 /nfs/dbraw/zinc/61/38/13/567613813.db2.gz FZFRMXWNHHQTAN-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM CN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@H]1CCCOC1 ZINC000552833163 567613815 /nfs/dbraw/zinc/61/38/15/567613815.db2.gz FZFRMXWNHHQTAN-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2cccc([O-])c2Br)C[C@@H](C)O1 ZINC000459320133 567614466 /nfs/dbraw/zinc/61/44/66/567614466.db2.gz FAJRBSDCLGIIFC-FMKPAKJESA-N -1 3 383.330 3.228 20 0 GGADHM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cccc([O-])c1Br ZINC000459318813 567614545 /nfs/dbraw/zinc/61/45/45/567614545.db2.gz VZAIRAXWLGGPME-CQSZACIVSA-N -1 3 379.254 3.029 20 0 GGADHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2cccc([O-])c2Br)C[C@H](C)O1 ZINC000459320136 567615032 /nfs/dbraw/zinc/61/50/32/567615032.db2.gz FAJRBSDCLGIIFC-LZWOXQAQSA-N -1 3 383.330 3.228 20 0 GGADHM Cc1nc(CN2CCN(Cc3cccc([O-])c3Br)CC2)cs1 ZINC000459312177 567615210 /nfs/dbraw/zinc/61/52/10/567615210.db2.gz OBPMEUSMIYBOLG-UHFFFAOYSA-N -1 3 382.327 3.237 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000530617338 567615243 /nfs/dbraw/zinc/61/52/43/567615243.db2.gz UQJIPQPOGODCMN-OAHLLOKOSA-N -1 3 392.830 3.339 20 0 GGADHM O=C(CC1CCN(Cc2cccc([O-])c2Br)CC1)N1CCCC1 ZINC000459324449 567615262 /nfs/dbraw/zinc/61/52/62/567615262.db2.gz KCDRPXLYQABWSF-UHFFFAOYSA-N -1 3 381.314 3.379 20 0 GGADHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083183 567615401 /nfs/dbraw/zinc/61/54/01/567615401.db2.gz SLWSNBGOYPSIIX-VXGBXAGGSA-N -1 3 382.423 3.243 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)Oc1ccccc1 ZINC000506219165 567615883 /nfs/dbraw/zinc/61/58/83/567615883.db2.gz XTRGYUAXTZTXRQ-NSHDSACASA-N -1 3 388.258 3.334 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(CCn2cc(Cl)cn2)CC1 ZINC000459354874 567616320 /nfs/dbraw/zinc/61/63/20/567616320.db2.gz OXRIKGHIMFMMOY-UHFFFAOYSA-N -1 3 383.279 3.246 20 0 GGADHM [O-]c1cccc(CN2CCn3c(nnc3C3CCCC3)C2)c1Br ZINC000459355438 567616795 /nfs/dbraw/zinc/61/67/95/567616795.db2.gz MYEQXNXXGZVNEH-UHFFFAOYSA-N -1 3 377.286 3.420 20 0 GGADHM CN(C)C(=O)c1ccnc([N-]C(=O)c2c(F)cc(Br)cc2F)c1 ZINC000506230945 567616950 /nfs/dbraw/zinc/61/69/50/567616950.db2.gz MKTAJHMISNMVPG-UHFFFAOYSA-N -1 3 384.180 3.076 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1ccc(Br)cc1F ZINC000572157049 567617393 /nfs/dbraw/zinc/61/73/93/567617393.db2.gz ZNWUBPGWCJCVEC-SNVBAGLBSA-N -1 3 386.242 3.043 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)s1 ZINC000506256382 567618501 /nfs/dbraw/zinc/61/85/01/567618501.db2.gz XEXPYDYIWCJIRV-MRVPVSSYSA-N -1 3 378.928 3.139 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000552992528 567618762 /nfs/dbraw/zinc/61/87/62/567618762.db2.gz ZQDKHELZBHWOIQ-LPHOPBHVSA-N -1 3 382.261 3.361 20 0 GGADHM [O-]c1cccc(CN2CCN(CC(F)(F)C(F)F)CC2)c1Br ZINC000459360773 567618795 /nfs/dbraw/zinc/61/87/95/567618795.db2.gz YZHRROCKDWVLOX-UHFFFAOYSA-N -1 3 385.199 3.173 20 0 GGADHM CC(C)(COc1ncccc1Br)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459378685 567618813 /nfs/dbraw/zinc/61/88/13/567618813.db2.gz WJQHTASYDDSGMJ-UHFFFAOYSA-N -1 3 393.285 3.164 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(I)cc1Cl ZINC000552989508 567619137 /nfs/dbraw/zinc/61/91/37/567619137.db2.gz CJALLZKZABPJEU-UHFFFAOYSA-N -1 3 397.603 3.267 20 0 GGADHM C[C@@H]1CN(c2ccc(CNCc3cccc([O-])c3Br)cn2)CCO1 ZINC000459382669 567620089 /nfs/dbraw/zinc/62/00/89/567620089.db2.gz WUUQOZPADBOMMQ-CYBMUJFWSA-N -1 3 392.297 3.065 20 0 GGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC2(CCCC2)O1 ZINC000645374129 567620500 /nfs/dbraw/zinc/62/05/00/567620500.db2.gz YTRLXZXZXBVPNE-GFCCVEGCSA-N -1 3 383.286 3.398 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(Cl)c(I)c1 ZINC000553000338 567620599 /nfs/dbraw/zinc/62/05/99/567620599.db2.gz BKEGYMGEPGQFFA-UHFFFAOYSA-N -1 3 397.603 3.267 20 0 GGADHM [O-]c1cccc(CN[C@@H](CN2CCOCC2)c2ccccc2)c1Br ZINC000459385188 567620910 /nfs/dbraw/zinc/62/09/10/567620910.db2.gz WLXRFRNVSAJSNL-KRWDZBQOSA-N -1 3 391.309 3.318 20 0 GGADHM CCc1ccc(C(C)(C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000530721587 567621304 /nfs/dbraw/zinc/62/13/04/567621304.db2.gz OFBRRGQRLYEGIC-UHFFFAOYSA-N -1 3 380.535 3.030 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cnc(C3CCC3)s2)CC1)c1cccs1 ZINC000506311944 567621355 /nfs/dbraw/zinc/62/13/55/567621355.db2.gz YXSLHRNZWZJURD-UHFFFAOYSA-N -1 3 397.591 3.415 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000480694729 567621634 /nfs/dbraw/zinc/62/16/34/567621634.db2.gz PRYJBGYCLZCTMB-ZDUSSCGKSA-N -1 3 384.860 3.045 20 0 GGADHM COc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1C ZINC000506307545 567621594 /nfs/dbraw/zinc/62/15/94/567621594.db2.gz GTDCWNIKXAVAPX-UHFFFAOYSA-N -1 3 380.535 3.008 20 0 GGADHM COC(=O)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1Cl ZINC000459400877 567622082 /nfs/dbraw/zinc/62/20/82/567622082.db2.gz CKBCXJRJISYZNG-OAHLLOKOSA-N -1 3 382.247 3.370 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000530753476 567622105 /nfs/dbraw/zinc/62/21/05/567622105.db2.gz UPPAHUVKRZUMRV-UHFFFAOYSA-N -1 3 379.243 3.014 20 0 GGADHM CCc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)ccc1[O-] ZINC000553052295 567623036 /nfs/dbraw/zinc/62/30/36/567623036.db2.gz MXYKXMXRZCLPIE-ZDUSSCGKSA-N -1 3 384.259 3.431 20 0 GGADHM COc1ccc(Br)c(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459419766 567623326 /nfs/dbraw/zinc/62/33/26/567623326.db2.gz HKOFTJVQOBKCMN-UHFFFAOYSA-N -1 3 378.270 3.463 20 0 GGADHM COc1ccc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)c([O-])c1 ZINC000440326592 567623392 /nfs/dbraw/zinc/62/33/92/567623392.db2.gz HLIASCMBLCYGEO-LLVKDONJSA-N -1 3 380.238 3.361 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000480710527 567623626 /nfs/dbraw/zinc/62/36/26/567623626.db2.gz DRYJIQUTBHYPHK-JSGCOSHPSA-N -1 3 383.466 3.288 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000530777573 567623711 /nfs/dbraw/zinc/62/37/11/567623711.db2.gz HFOOHOFSLAQKAT-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000480719251 567623926 /nfs/dbraw/zinc/62/39/26/567623926.db2.gz GQYVLYLIHVQJCI-CYBMUJFWSA-N -1 3 377.359 3.459 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000480719252 567623982 /nfs/dbraw/zinc/62/39/82/567623982.db2.gz GQYVLYLIHVQJCI-ZDUSSCGKSA-N -1 3 377.359 3.459 20 0 GGADHM CCOc1cc(CNCCS(=O)(=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000459438494 567624401 /nfs/dbraw/zinc/62/44/01/567624401.db2.gz UFSIGWSYZCGFAP-UHFFFAOYSA-N -1 3 387.860 3.147 20 0 GGADHM COc1ccc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)c([O-])c1 ZINC000440326593 567624498 /nfs/dbraw/zinc/62/44/98/567624498.db2.gz HLIASCMBLCYGEO-NSHDSACASA-N -1 3 380.238 3.361 20 0 GGADHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000480724222 567624649 /nfs/dbraw/zinc/62/46/49/567624649.db2.gz BDCGKFPKGFGOFC-MRVPVSSYSA-N -1 3 389.768 3.173 20 0 GGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000480725052 567624744 /nfs/dbraw/zinc/62/47/44/567624744.db2.gz WUTURGORBXUCGG-SNVBAGLBSA-N -1 3 385.379 3.243 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCCC1 ZINC000645434908 567624983 /nfs/dbraw/zinc/62/49/83/567624983.db2.gz VWQZGPDZBYLEHO-CQSZACIVSA-N -1 3 384.498 3.011 20 0 GGADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1F ZINC000645443158 567625262 /nfs/dbraw/zinc/62/52/62/567625262.db2.gz AFBGBNLTJJOMGM-VIFPVBQESA-N -1 3 378.347 3.288 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)NC1CCCCC1 ZINC000440376735 567625203 /nfs/dbraw/zinc/62/52/03/567625203.db2.gz BJUYQITVJOBOOA-UHFFFAOYSA-N -1 3 380.897 3.220 20 0 GGADHM O=S(=O)([N-]CCCOC1CCOCC1)c1c(Cl)ccc2ccccc21 ZINC000440399040 567625306 /nfs/dbraw/zinc/62/53/06/567625306.db2.gz PNCBBPJFFUQDAF-UHFFFAOYSA-N -1 3 383.897 3.357 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(Cl)cccc2OC)c1 ZINC000480734726 567625201 /nfs/dbraw/zinc/62/52/01/567625201.db2.gz DCTNGQUUFHQJLG-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM O=C(NCCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C1CCC1 ZINC000440386814 567625397 /nfs/dbraw/zinc/62/53/97/567625397.db2.gz ZKJPZLUIEYBHOH-UHFFFAOYSA-N -1 3 380.897 3.078 20 0 GGADHM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1=O ZINC000440392178 567625442 /nfs/dbraw/zinc/62/54/42/567625442.db2.gz MNNQEZWJBOUENA-CYBMUJFWSA-N -1 3 380.897 3.171 20 0 GGADHM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1c(Cl)ccc2ccccc21 ZINC000440382627 567625499 /nfs/dbraw/zinc/62/54/99/567625499.db2.gz NVJUJNGKBCKHQQ-HNNXBMFYSA-N -1 3 383.897 3.357 20 0 GGADHM CCO[C@@H](CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000530819437 567625606 /nfs/dbraw/zinc/62/56/06/567625606.db2.gz SKNMQBYBNOCXGO-KRWDZBQOSA-N -1 3 395.297 3.472 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000480746124 567626381 /nfs/dbraw/zinc/62/63/81/567626381.db2.gz DVIYUIMTRJLGFG-DOMZBBRYSA-N -1 3 383.466 3.288 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)CC(F)(F)F ZINC000440402264 567626861 /nfs/dbraw/zinc/62/68/61/567626861.db2.gz QNYZUMMBMIFCBX-UHFFFAOYSA-N -1 3 380.819 3.266 20 0 GGADHM Cc1nc(N2CCOCC2)ccc1NCc1cccc([O-])c1Br ZINC000459472618 567627361 /nfs/dbraw/zinc/62/73/61/567627361.db2.gz XSGGUUNSNZCTFP-UHFFFAOYSA-N -1 3 378.270 3.307 20 0 GGADHM COCCn1cc2c(n1)[C@H](NCc1cccc([O-])c1Br)CCC2 ZINC000459478042 567627423 /nfs/dbraw/zinc/62/74/23/567627423.db2.gz HBHNHNKZWMNXHZ-CQSZACIVSA-N -1 3 380.286 3.165 20 0 GGADHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000480755348 567627501 /nfs/dbraw/zinc/62/75/01/567627501.db2.gz MGAYINGCZTZFCK-FZKQIMNGSA-N -1 3 385.888 3.387 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)o1 ZINC000480751475 567627516 /nfs/dbraw/zinc/62/75/16/567627516.db2.gz QTUACBRWNRRGGP-UHFFFAOYSA-N -1 3 385.850 3.413 20 0 GGADHM CS(=O)(=O)C[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459479373 567627497 /nfs/dbraw/zinc/62/74/97/567627497.db2.gz LWLLJPJDURPUOD-CQSZACIVSA-N -1 3 384.295 3.030 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC)c1ccsc1 ZINC000645469215 567627875 /nfs/dbraw/zinc/62/78/75/567627875.db2.gz MQASKGWBDYOZRB-HNNXBMFYSA-N -1 3 386.514 3.257 20 0 GGADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)Cc1ccccc1 ZINC000480757334 567628458 /nfs/dbraw/zinc/62/84/58/567628458.db2.gz QLADNYRQYDMHIX-ACJLOTCBSA-N -1 3 385.888 3.387 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1OC(F)F ZINC000645459942 567628493 /nfs/dbraw/zinc/62/84/93/567628493.db2.gz XAIRCBQUJXPFPY-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)CN2CCCC2)s1 ZINC000480758685 567628558 /nfs/dbraw/zinc/62/85/58/567628558.db2.gz NTTPRXZYSQZJSD-UHFFFAOYSA-N -1 3 395.388 3.219 20 0 GGADHM CS(=O)(=O)N1CCc2c1cccc2NCc1cccc([O-])c1Br ZINC000459488836 567629891 /nfs/dbraw/zinc/62/98/91/567629891.db2.gz SRZJNKCEXVSOQZ-UHFFFAOYSA-N -1 3 397.294 3.089 20 0 GGADHM COC(=O)C[C@](C)(NCc1cccc([O-])c1Br)c1ccncc1 ZINC000459496078 567630711 /nfs/dbraw/zinc/63/07/11/567630711.db2.gz GHWVUEJCQXFCLZ-KRWDZBQOSA-N -1 3 379.254 3.118 20 0 GGADHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1ccccc1 ZINC000480785492 567631668 /nfs/dbraw/zinc/63/16/68/567631668.db2.gz IEBIREUNMLPPRH-FZKQIMNGSA-N -1 3 385.888 3.387 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645490859 567632184 /nfs/dbraw/zinc/63/21/84/567632184.db2.gz VUVIGJOJMHUZCG-UHFFFAOYSA-N -1 3 384.763 3.322 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000506597507 567632469 /nfs/dbraw/zinc/63/24/69/567632469.db2.gz ZLSWPUXJUMGMOZ-UHFFFAOYSA-N -1 3 386.267 3.405 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000665646579 567632973 /nfs/dbraw/zinc/63/29/73/567632973.db2.gz YEOKJKKWDANXJL-ZFWWWQNUSA-N -1 3 398.937 3.132 20 0 GGADHM CCSc1cccc([N-]S(=O)(=O)C[C@H](C(=O)OC)c2ccccc2)c1 ZINC000506599360 567632995 /nfs/dbraw/zinc/63/29/95/567632995.db2.gz AHUYFURVNGIAQH-KRWDZBQOSA-N -1 3 379.503 3.497 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000622042515 567633222 /nfs/dbraw/zinc/63/32/22/567633222.db2.gz BECLKZCRDRAPOC-VIFPVBQESA-N -1 3 379.791 3.497 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccnn1CCc1ccccc1)C(F)(F)F ZINC000622040112 567633369 /nfs/dbraw/zinc/63/33/69/567633369.db2.gz GBNZSJANTQCLFM-OAHLLOKOSA-N -1 3 375.416 3.135 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000622041881 567633437 /nfs/dbraw/zinc/63/34/37/567633437.db2.gz LJKMHMHIVXPSQT-SECBINFHSA-N -1 3 379.791 3.497 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000622041834 567633447 /nfs/dbraw/zinc/63/34/47/567633447.db2.gz KCNZIMDOBBSOAX-SNVBAGLBSA-N -1 3 388.262 3.035 20 0 GGADHM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000553173506 567633513 /nfs/dbraw/zinc/63/35/13/567633513.db2.gz NRDDNHFDASWFDU-GOEBONIOSA-N -1 3 378.519 3.026 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)n1 ZINC000622041525 567633545 /nfs/dbraw/zinc/63/35/45/567633545.db2.gz CKHLFLJWOGBCFV-SNVBAGLBSA-N -1 3 388.262 3.035 20 0 GGADHM CC[C@H](CO)NC(=O)c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459523017 567633600 /nfs/dbraw/zinc/63/36/00/567633600.db2.gz FPHAZBXRSQXQOD-CQSZACIVSA-N -1 3 393.281 3.268 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000622041882 567633678 /nfs/dbraw/zinc/63/36/78/567633678.db2.gz LJKMHMHIVXPSQT-VIFPVBQESA-N -1 3 379.791 3.497 20 0 GGADHM O=C(c1ccc(Br)c([O-])c1)N1CCN(CCc2cccs2)CC1 ZINC000480835129 567633700 /nfs/dbraw/zinc/63/37/00/567633700.db2.gz YFFRBLUZZPYCKU-UHFFFAOYSA-N -1 3 395.322 3.217 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c(=O)[n-]1 ZINC000530982110 567633988 /nfs/dbraw/zinc/63/39/88/567633988.db2.gz YYHTXUOGWROADU-MRXNPFEDSA-N -1 3 390.281 3.468 20 0 GGADHM COCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645502795 567633965 /nfs/dbraw/zinc/63/39/65/567633965.db2.gz MUVMWCPSFRHZIB-UHFFFAOYSA-N -1 3 375.796 3.334 20 0 GGADHM O=C(Cc1ccccc1)N1CC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000459533510 567634019 /nfs/dbraw/zinc/63/40/19/567634019.db2.gz YKJJRRRVCHAUJQ-MRXNPFEDSA-N -1 3 389.293 3.088 20 0 GGADHM O=C(Cc1ccccc1)N1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000459533509 567634173 /nfs/dbraw/zinc/63/41/73/567634173.db2.gz YKJJRRRVCHAUJQ-INIZCTEOSA-N -1 3 389.293 3.088 20 0 GGADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000530981409 567634326 /nfs/dbraw/zinc/63/43/26/567634326.db2.gz SVZSGHNZQIDEDR-UHFFFAOYSA-N -1 3 377.198 3.104 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3cn(C(C)C)nc3C2)c(Cl)cc1F ZINC000480826109 567634314 /nfs/dbraw/zinc/63/43/14/567634314.db2.gz JRFAHWNPVHAQOS-ZDUSSCGKSA-N -1 3 385.892 3.401 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000480847847 567634785 /nfs/dbraw/zinc/63/47/85/567634785.db2.gz TTZYFJRCJXQOOO-SDBXPKJASA-N -1 3 383.728 3.408 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)c2ccc(Cl)cc2)cc1 ZINC000572370897 567634939 /nfs/dbraw/zinc/63/49/39/567634939.db2.gz FDDAQZUPLGVAAO-UHFFFAOYSA-N -1 3 388.823 3.233 20 0 GGADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572376457 567634950 /nfs/dbraw/zinc/63/49/50/567634950.db2.gz KBXOOCWKGUUQPM-UHFFFAOYSA-N -1 3 388.265 3.284 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645504373 567635040 /nfs/dbraw/zinc/63/50/40/567635040.db2.gz CVUBLCNZTVRLJS-UHFFFAOYSA-N -1 3 386.804 3.216 20 0 GGADHM CN(Cc1ccc(Br)s1)C(=O)c1c[n-]c2ccncc2c1=O ZINC000553199615 567635299 /nfs/dbraw/zinc/63/52/99/567635299.db2.gz JVKPYEOZBHNLFE-UHFFFAOYSA-N -1 3 378.251 3.019 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000480847845 567635274 /nfs/dbraw/zinc/63/52/74/567635274.db2.gz TTZYFJRCJXQOOO-ISVAXAHUSA-N -1 3 383.728 3.408 20 0 GGADHM CCS(=O)(=O)c1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459547795 567635620 /nfs/dbraw/zinc/63/56/20/567635620.db2.gz XABSHWFCZAUYJJ-UHFFFAOYSA-N -1 3 384.295 3.238 20 0 GGADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000506635157 567635703 /nfs/dbraw/zinc/63/57/03/567635703.db2.gz VPXCSXBMZHVTAD-UHFFFAOYSA-N -1 3 380.897 3.464 20 0 GGADHM C[C@@H](Sc1ccc2c(c1)CCO2)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000665687762 567635905 /nfs/dbraw/zinc/63/59/05/567635905.db2.gz FRMKKXBDYARXEQ-GFCCVEGCSA-N -1 3 377.487 3.357 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000622076384 567636325 /nfs/dbraw/zinc/63/63/25/567636325.db2.gz DNGISOFBCJUODL-UHFFFAOYSA-N -1 3 375.347 3.421 20 0 GGADHM O=c1cc(CSc2nnc3ccc(Br)cn32)nc(C2CC2)[n-]1 ZINC000665687098 567636353 /nfs/dbraw/zinc/63/63/53/567636353.db2.gz RCPHQYFUJDNRGI-UHFFFAOYSA-N -1 3 378.255 3.157 20 0 GGADHM CCOc1cc(CNc2cc(OC)cc(S(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000459545139 567636507 /nfs/dbraw/zinc/63/65/07/567636507.db2.gz FVOGBBACRPHGCF-UHFFFAOYSA-N -1 3 385.869 3.469 20 0 GGADHM CC1(c2ccc(Br)cc2)CCN(c2nc3[nH][n-]cc-3c(=N)n2)CC1 ZINC000440648760 567636862 /nfs/dbraw/zinc/63/68/62/567636862.db2.gz XJDIKZNARCLMSP-UHFFFAOYSA-N -1 3 387.285 3.038 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)(C)O ZINC000480852917 567636941 /nfs/dbraw/zinc/63/69/41/567636941.db2.gz OMGZSMGCMBFXRL-LBPRGKRZSA-N -1 3 384.723 3.176 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000645518770 567637113 /nfs/dbraw/zinc/63/71/13/567637113.db2.gz STMUGJITHLGCOE-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000572399379 567637224 /nfs/dbraw/zinc/63/72/24/567637224.db2.gz HCKDGSVBBMPXJS-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM [O-]c1cccc(CN(CCN2CCOCC2)Cc2ccco2)c1Br ZINC000459560624 567637694 /nfs/dbraw/zinc/63/76/94/567637694.db2.gz LIRSUIAUHAJVKQ-UHFFFAOYSA-N -1 3 395.297 3.082 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2ncnc3sc4ccccc4c32)s1 ZINC000440659296 567638377 /nfs/dbraw/zinc/63/83/77/567638377.db2.gz KZVYOMAXIYVFEQ-UHFFFAOYSA-N -1 3 390.515 3.426 20 0 GGADHM CN(C[C@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000572413789 567638467 /nfs/dbraw/zinc/63/84/67/567638467.db2.gz URNWDSCBSMGREW-YOEHRIQHSA-N -1 3 392.249 3.347 20 0 GGADHM O=C(NCc1cc(F)c(F)cc1Br)c1cc(F)cc2nn[n-]c21 ZINC000553250329 567639498 /nfs/dbraw/zinc/63/94/98/567639498.db2.gz WFRKIGBUAJORGD-UHFFFAOYSA-N -1 3 385.143 3.068 20 0 GGADHM O=C(NCc1cc(F)c(F)cc1Br)c1cc(F)cc2[n-]nnc21 ZINC000553250329 567639501 /nfs/dbraw/zinc/63/95/01/567639501.db2.gz WFRKIGBUAJORGD-UHFFFAOYSA-N -1 3 385.143 3.068 20 0 GGADHM O=C(NCc1cc(F)c(F)cc1Br)c1cc(F)cc2n[n-]nc21 ZINC000553250329 567639507 /nfs/dbraw/zinc/63/95/07/567639507.db2.gz WFRKIGBUAJORGD-UHFFFAOYSA-N -1 3 385.143 3.068 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440706837 567640625 /nfs/dbraw/zinc/64/06/25/567640625.db2.gz VNPUZAUWRAXCLB-RISCZKNCSA-N -1 3 380.432 3.084 20 0 GGADHM CC(C)CC1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000553265924 567640974 /nfs/dbraw/zinc/64/09/74/567640974.db2.gz INYIAFLGAZTZIW-UHFFFAOYSA-N -1 3 393.336 3.214 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000665859111 567641313 /nfs/dbraw/zinc/64/13/13/567641313.db2.gz LXCYIUHDAWCBJN-SUMWQHHRSA-N -1 3 382.551 3.010 20 0 GGADHM O=S(=O)(Cc1ccc(Br)cc1Cl)[N-]CC1(O)CCCCC1 ZINC000645556047 567641569 /nfs/dbraw/zinc/64/15/69/567641569.db2.gz DDVYILZZZNHTRI-UHFFFAOYSA-N -1 3 396.734 3.217 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CN1c1ccccc1 ZINC000553300376 567642034 /nfs/dbraw/zinc/64/20/34/567642034.db2.gz HQLHHRXKOYHWKJ-LLVKDONJSA-N -1 3 385.272 3.077 20 0 GGADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645566943 567642993 /nfs/dbraw/zinc/64/29/93/567642993.db2.gz VTQKMLDEJOYCGN-SECBINFHSA-N -1 3 378.347 3.288 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCSC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645582135 567643703 /nfs/dbraw/zinc/64/37/03/567643703.db2.gz OVJBXYXQSKAFNK-SECBINFHSA-N -1 3 375.821 3.413 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@@H]1CC12CCOCC2 ZINC000531135504 567643804 /nfs/dbraw/zinc/64/38/04/567643804.db2.gz ZMTGREISCUZBSI-ZDUSSCGKSA-N -1 3 394.244 3.155 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)o1 ZINC000480935437 567643881 /nfs/dbraw/zinc/64/38/81/567643881.db2.gz XNCVRMCSLRLUJI-UHFFFAOYSA-N -1 3 379.663 3.131 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000553331238 567644867 /nfs/dbraw/zinc/64/48/67/567644867.db2.gz AZFXUJAIRWLOLN-GOEBONIOSA-N -1 3 378.519 3.026 20 0 GGADHM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc3cc(Cl)ccc3s1)C2 ZINC000531194411 567644955 /nfs/dbraw/zinc/64/49/55/567644955.db2.gz BFLUYFNHKNOQQO-CQSZACIVSA-N -1 3 393.921 3.489 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCN3CCC(C)CC3)s2)cs1 ZINC000480954034 567645621 /nfs/dbraw/zinc/64/56/21/567645621.db2.gz MDFBFAPOWIHYHO-UHFFFAOYSA-N -1 3 385.580 3.190 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C(C)C ZINC000645596095 567645763 /nfs/dbraw/zinc/64/57/63/567645763.db2.gz YBJGXDUXSJHMLC-HNNXBMFYSA-N -1 3 386.901 3.394 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cc(F)ccc1Br ZINC000480961698 567646625 /nfs/dbraw/zinc/64/66/25/567646625.db2.gz ZHZSWCJHALTBMQ-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cc(F)ccc1Br ZINC000480961698 567646631 /nfs/dbraw/zinc/64/66/31/567646631.db2.gz ZHZSWCJHALTBMQ-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(F)ccc1Br ZINC000480961698 567646634 /nfs/dbraw/zinc/64/66/34/567646634.db2.gz ZHZSWCJHALTBMQ-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM CC1CC(CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000622240543 567647238 /nfs/dbraw/zinc/64/72/38/567647238.db2.gz SVZLFNXBNZLPQP-UHFFFAOYSA-N -1 3 384.548 3.064 20 0 GGADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000665968686 567648198 /nfs/dbraw/zinc/64/81/98/567648198.db2.gz ZZLWRBNYKXYDCS-LBPRGKRZSA-N -1 3 379.503 3.351 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCOc1ccccc1Br ZINC000506892167 567648621 /nfs/dbraw/zinc/64/86/21/567648621.db2.gz GDBCQZKSJNTWIM-UHFFFAOYSA-N -1 3 399.266 3.211 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC000480985331 567648941 /nfs/dbraw/zinc/64/89/41/567648941.db2.gz UOVZQYNSONRQAO-AWEZNQCLSA-N -1 3 383.466 3.338 20 0 GGADHM CC(C)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OCC1CC1 ZINC000665996843 567649131 /nfs/dbraw/zinc/64/91/31/567649131.db2.gz NXVPDDFVNIBKNG-UHFFFAOYSA-N -1 3 393.281 3.226 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645634623 567649412 /nfs/dbraw/zinc/64/94/12/567649412.db2.gz TYTRWGKOBPUPSN-MFKMUULPSA-N -1 3 385.791 3.084 20 0 GGADHM CCOc1cc(CNCc2nnc(C(C)(C)C)[nH]2)cc(Br)c1[O-] ZINC000459685429 567650046 /nfs/dbraw/zinc/65/00/46/567650046.db2.gz VVJLQIZQYQHDBJ-UHFFFAOYSA-N -1 3 383.290 3.259 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645639484 567650043 /nfs/dbraw/zinc/65/00/43/567650043.db2.gz KRUZEDUAKSLMJF-UHFFFAOYSA-N -1 3 397.806 3.194 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cs1 ZINC000622551146 567650152 /nfs/dbraw/zinc/65/01/52/567650152.db2.gz JEZBSWXGWZFYCV-LLVKDONJSA-N -1 3 385.320 3.312 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000645637472 567650257 /nfs/dbraw/zinc/65/02/57/567650257.db2.gz RISFSUVIURWBSD-NXEZZACHSA-N -1 3 387.807 3.332 20 0 GGADHM CC(C)Nc1cc(F)ccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000531297646 567651139 /nfs/dbraw/zinc/65/11/39/567651139.db2.gz QVQJIMBPOLMQIN-UHFFFAOYSA-N -1 3 385.486 3.015 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000645641204 567651135 /nfs/dbraw/zinc/65/11/35/567651135.db2.gz YZADELXBWBXKKN-AWEZNQCLSA-N -1 3 384.860 3.045 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3cc(Br)cc(F)c3C2)on1 ZINC000553409968 567651378 /nfs/dbraw/zinc/65/13/78/567651378.db2.gz NOADXWNBVBACFS-JTQLQIEISA-N -1 3 382.233 3.270 20 0 GGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000572609240 567651996 /nfs/dbraw/zinc/65/19/96/567651996.db2.gz HPWGATPSEPXICF-FWDPORAESA-N -1 3 398.282 3.246 20 0 GGADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCN(C)CC1 ZINC000531302541 567652301 /nfs/dbraw/zinc/65/23/01/567652301.db2.gz OBJFERNJEBQJDQ-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc2c1OCCC2=O ZINC000506985951 567652903 /nfs/dbraw/zinc/65/29/03/567652903.db2.gz QJGRFIUIEIUYKD-UHFFFAOYSA-N -1 3 391.221 3.442 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c(F)c1 ZINC000481026125 567652923 /nfs/dbraw/zinc/65/29/23/567652923.db2.gz SCWNUUOVYYKUGL-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c(F)c1 ZINC000481034288 567653079 /nfs/dbraw/zinc/65/30/79/567653079.db2.gz IEHSVUFXZBPQKN-UHFFFAOYSA-N -1 3 384.498 3.081 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645653613 567653116 /nfs/dbraw/zinc/65/31/16/567653116.db2.gz NUHLPVUGTZRGDP-YPMHNXCESA-N -1 3 399.818 3.475 20 0 GGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000572609242 567653751 /nfs/dbraw/zinc/65/37/51/567653751.db2.gz HPWGATPSEPXICF-PLMOITTCSA-N -1 3 398.282 3.246 20 0 GGADHM CCc1ccc([C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C(C)C)cc1 ZINC000553435223 567653795 /nfs/dbraw/zinc/65/37/95/567653795.db2.gz MVBLRTBSLDWGQR-MRXNPFEDSA-N -1 3 381.523 3.340 20 0 GGADHM CCSc1cc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)ccn1 ZINC000645661557 567654050 /nfs/dbraw/zinc/65/40/50/567654050.db2.gz UXSMJMXJQQIFSD-UHFFFAOYSA-N -1 3 377.413 3.086 20 0 GGADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccn1 ZINC000481048325 567654232 /nfs/dbraw/zinc/65/42/32/567654232.db2.gz LORYANDPSBPCGS-UHFFFAOYSA-N -1 3 377.800 3.203 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)c1 ZINC000531332895 567654236 /nfs/dbraw/zinc/65/42/36/567654236.db2.gz IQFHXCNGKQFZCT-SNVBAGLBSA-N -1 3 390.324 3.429 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)c(F)c1 ZINC000481052666 567654800 /nfs/dbraw/zinc/65/48/00/567654800.db2.gz QMEYJNRAILFITP-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000531367697 567655357 /nfs/dbraw/zinc/65/53/57/567655357.db2.gz KRXVQDRULFTUPS-OCCSQVGLSA-N -1 3 388.942 3.177 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC)c(Cl)c2)c1 ZINC000481067839 567655393 /nfs/dbraw/zinc/65/53/93/567655393.db2.gz DVASNXIUXLBTCA-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM CC[C@@H](C)CCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000666118462 567655497 /nfs/dbraw/zinc/65/54/97/567655497.db2.gz AWRFBNNRMOWIMZ-LLVKDONJSA-N -1 3 381.420 3.085 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000645686738 567655690 /nfs/dbraw/zinc/65/56/90/567655690.db2.gz QXDNDNHWDZGPLJ-ZETCQYMHSA-N -1 3 384.376 3.349 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)c(F)c1 ZINC000481079231 567656937 /nfs/dbraw/zinc/65/69/37/567656937.db2.gz XDWNLZBPVFZBDX-UHFFFAOYSA-N -1 3 375.462 3.013 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n1 ZINC000645690010 567657146 /nfs/dbraw/zinc/65/71/46/567657146.db2.gz XSIGFZZLGJVGQI-UHFFFAOYSA-N -1 3 394.802 3.463 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CN1C1CCCCC1 ZINC000481081537 567657401 /nfs/dbraw/zinc/65/74/01/567657401.db2.gz ZXVCUNOSLFVNKV-LLVKDONJSA-N -1 3 391.320 3.205 20 0 GGADHM COc1ccc([C@@H](CO)CNCc2ccc(OC)c([O-])c2Br)cc1 ZINC000459754234 567657629 /nfs/dbraw/zinc/65/76/29/567657629.db2.gz PRCPIODWQLIBDL-CQSZACIVSA-N -1 3 396.281 3.038 20 0 GGADHM COc1ccc(CNCc2cccc(N3CCC3=O)c2)c(Br)c1[O-] ZINC000441229474 567657697 /nfs/dbraw/zinc/65/76/97/567657697.db2.gz TWUPERBVLACVLQ-UHFFFAOYSA-N -1 3 391.265 3.190 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000645696540 567658454 /nfs/dbraw/zinc/65/84/54/567658454.db2.gz VPYKLUIHUITHHM-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC000645697817 567658935 /nfs/dbraw/zinc/65/89/35/567658935.db2.gz RFYYXUSLSQMNSC-UHFFFAOYSA-N -1 3 383.722 3.146 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1Cc1ccccc1 ZINC000553497757 567659153 /nfs/dbraw/zinc/65/91/53/567659153.db2.gz FONJOUWUUYJGRV-INIZCTEOSA-N -1 3 399.299 3.073 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2OC)cs1 ZINC000645718698 567660221 /nfs/dbraw/zinc/66/02/21/567660221.db2.gz SFRVWTYSBVOBTL-UHFFFAOYSA-N -1 3 384.523 3.074 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(Cl)cs1)c1ccc(Cl)cc1F ZINC000441340006 567660744 /nfs/dbraw/zinc/66/07/44/567660744.db2.gz OKPZQVNXFMQCNL-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645739303 567661028 /nfs/dbraw/zinc/66/10/28/567661028.db2.gz YLNCKXOXMWBMBL-QMTHXVAHSA-N -1 3 396.734 3.073 20 0 GGADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645742362 567661287 /nfs/dbraw/zinc/66/12/87/567661287.db2.gz IXSSPIJTNJOAQN-SECBINFHSA-N -1 3 375.796 3.068 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C(F)(F)F ZINC000553525293 567661372 /nfs/dbraw/zinc/66/13/72/567661372.db2.gz ZGNSKJCUCFYXTL-QMMMGPOBSA-N -1 3 397.216 3.474 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Br)cn1 ZINC000481211504 567662383 /nfs/dbraw/zinc/66/23/83/567662383.db2.gz HABMTQJMLIEHJB-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(C)C)cc2)s1 ZINC000553534511 567662543 /nfs/dbraw/zinc/66/25/43/567662543.db2.gz VTVNWTUKWYRJEB-LBPRGKRZSA-N -1 3 381.523 3.134 20 0 GGADHM O=S(=O)([N-]CCNCc1sccc1Cl)c1ccc(Cl)cc1F ZINC000441388740 567662604 /nfs/dbraw/zinc/66/26/04/567662604.db2.gz TZQFIUUEQGQNBK-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM CSc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000441381455 567662699 /nfs/dbraw/zinc/66/26/99/567662699.db2.gz MFSNZNKRKMPVTF-UHFFFAOYSA-N -1 3 388.917 3.269 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000531523419 567663022 /nfs/dbraw/zinc/66/30/22/567663022.db2.gz FCBLSTCONCPZIV-UHFFFAOYSA-N -1 3 378.479 3.076 20 0 GGADHM Cc1cccc([C@@H](CC(=O)Nc2cc(Br)ccc2[O-])NC(N)=O)c1 ZINC000531492765 567663461 /nfs/dbraw/zinc/66/34/61/567663461.db2.gz QJHHBUIEAQAXKV-CYBMUJFWSA-N -1 3 392.253 3.201 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)s1)c1ccccc1F ZINC000481218213 567663619 /nfs/dbraw/zinc/66/36/19/567663619.db2.gz LHTCVMYYXPGCGU-PSASIEDQSA-N -1 3 376.272 3.484 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)s1 ZINC000553551681 567663800 /nfs/dbraw/zinc/66/38/00/567663800.db2.gz PYUWEZXVTDRBQA-UHFFFAOYSA-N -1 3 386.367 3.481 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CS1 ZINC000645756813 567663875 /nfs/dbraw/zinc/66/38/75/567663875.db2.gz DYBINWAWQSWNON-CBAPKCEASA-N -1 3 375.821 3.411 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CS1 ZINC000645756812 567664076 /nfs/dbraw/zinc/66/40/76/567664076.db2.gz DYBINWAWQSWNON-APPZFPTMSA-N -1 3 375.821 3.411 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Br)cn1 ZINC000481234785 567664067 /nfs/dbraw/zinc/66/40/67/567664067.db2.gz SJPGIIMGMDLVJS-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H](C)O1 ZINC000645760992 567664263 /nfs/dbraw/zinc/66/42/63/567664263.db2.gz SDSKXVVCOSOZTN-OPRDCNLKSA-N -1 3 387.807 3.330 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(F)c(Br)c1 ZINC000481241296 567664486 /nfs/dbraw/zinc/66/44/86/567664486.db2.gz JWTYLXFAMCKDKB-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(F)c(Br)c1 ZINC000481241296 567664472 /nfs/dbraw/zinc/66/44/72/567664472.db2.gz JWTYLXFAMCKDKB-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(F)c(Br)c1 ZINC000481241296 567664479 /nfs/dbraw/zinc/66/44/79/567664479.db2.gz JWTYLXFAMCKDKB-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)o1 ZINC000645753829 567664566 /nfs/dbraw/zinc/66/45/66/567664566.db2.gz DEEFTKPHGYRIHR-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CS1 ZINC000645756814 567664602 /nfs/dbraw/zinc/66/46/02/567664602.db2.gz DYBINWAWQSWNON-IONNQARKSA-N -1 3 375.821 3.411 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000531532763 567664546 /nfs/dbraw/zinc/66/45/46/567664546.db2.gz MTJLWGBKNMGGPX-CQSZACIVSA-N -1 3 379.400 3.106 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1noc(-c2cccs2)n1 ZINC000553544727 567664579 /nfs/dbraw/zinc/66/45/79/567664579.db2.gz MFNLXVCYTVEIPL-UHFFFAOYSA-N -1 3 399.881 3.080 20 0 GGADHM O=S(=O)([N-]CCNc1ccnc(C(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000553543543 567664742 /nfs/dbraw/zinc/66/47/42/567664742.db2.gz HXJGCYYZUBQPNW-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000481241636 567664684 /nfs/dbraw/zinc/66/46/84/567664684.db2.gz LHOOPZJPTNXTHF-QLFBSQMISA-N -1 3 387.929 3.470 20 0 GGADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000481233453 567664713 /nfs/dbraw/zinc/66/47/13/567664713.db2.gz LENYBJAJCLJEAF-KGLIPLIRSA-N -1 3 386.583 3.167 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000666312862 567664905 /nfs/dbraw/zinc/66/49/05/567664905.db2.gz XOBPKSBGUDNOFH-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000481248707 567665941 /nfs/dbraw/zinc/66/59/41/567665941.db2.gz YSVXRNJSVUCAOT-GXTWGEPZSA-N -1 3 383.466 3.288 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)c(Br)c1 ZINC000553560857 567666186 /nfs/dbraw/zinc/66/61/86/567666186.db2.gz YITDQGVBVRYRQZ-CYBMUJFWSA-N -1 3 390.299 3.093 20 0 GGADHM COCCC1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000481265394 567666674 /nfs/dbraw/zinc/66/66/74/567666674.db2.gz VVOJNTUFQUWWTI-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000481259511 567666900 /nfs/dbraw/zinc/66/69/00/567666900.db2.gz NNIMJVWYJTUKLG-GXTWGEPZSA-N -1 3 383.466 3.288 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000553569678 567667008 /nfs/dbraw/zinc/66/70/08/567667008.db2.gz MNFDBKSJJIKWND-ZDUSSCGKSA-N -1 3 393.958 3.177 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(C(C)(C)C)C1=O ZINC000645781595 567667020 /nfs/dbraw/zinc/66/70/20/567667020.db2.gz AWYJURBVWHCHGG-ZDUSSCGKSA-N -1 3 384.885 3.072 20 0 GGADHM COC(=O)[C@@H](C)CN(C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000596991438 567668040 /nfs/dbraw/zinc/66/80/40/567668040.db2.gz LWUZVWYATNUODV-QMMMGPOBSA-N -1 3 395.091 3.158 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000441550977 567668056 /nfs/dbraw/zinc/66/80/56/567668056.db2.gz USVVCJWVEFUTBT-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(I)c1 ZINC000531618119 567668154 /nfs/dbraw/zinc/66/81/54/567668154.db2.gz DENOVWJYVZNRMI-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM CCN(CCC(=O)OC)Cc1cc(Br)c([O-])c(Br)c1 ZINC000596991592 567668221 /nfs/dbraw/zinc/66/82/21/567668221.db2.gz MAEVHXJTQHWRJE-UHFFFAOYSA-N -1 3 395.091 3.302 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cn2c(n1)CCCC2 ZINC000531597544 567668321 /nfs/dbraw/zinc/66/83/21/567668321.db2.gz HJIOMOPIBHRWBY-UHFFFAOYSA-N -1 3 379.869 3.406 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cccc(Cl)c1Br ZINC000553571523 567668578 /nfs/dbraw/zinc/66/85/78/567668578.db2.gz DSCAVEGJRGEUBM-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM COc1cc(OC)cc(OCCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000441535667 567668683 /nfs/dbraw/zinc/66/86/83/567668683.db2.gz QNIKGVGTQHFJAX-UHFFFAOYSA-N -1 3 391.898 3.166 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000531611261 567669120 /nfs/dbraw/zinc/66/91/20/567669120.db2.gz KGSMOBCKTUAIBC-UHFFFAOYSA-N -1 3 386.713 3.494 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nncn2C(C)C)c1Cl ZINC000666387552 567669656 /nfs/dbraw/zinc/66/96/56/567669656.db2.gz KERPSUAIYCDYIN-UHFFFAOYSA-N -1 3 377.297 3.261 20 0 GGADHM O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc([O-])ccc1Cl ZINC000507241882 567670151 /nfs/dbraw/zinc/67/01/51/567670151.db2.gz BSMZMOMVKMHPBI-LBPRGKRZSA-N -1 3 398.684 3.389 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)cn1 ZINC000645820239 567671094 /nfs/dbraw/zinc/67/10/94/567671094.db2.gz MOYSZNSZZRGDLT-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(N(C)C)CCSC2)c1Cl ZINC000481341591 567672278 /nfs/dbraw/zinc/67/22/78/567672278.db2.gz OZFPYFOQTGKNRW-AWEZNQCLSA-N -1 3 383.366 3.017 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)s1 ZINC000507282664 567672833 /nfs/dbraw/zinc/67/28/33/567672833.db2.gz SQHYJWRWTLFHST-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)NCc1cccs1 ZINC000645825432 567673074 /nfs/dbraw/zinc/67/30/74/567673074.db2.gz GYROTBUBRFCXDU-NSHDSACASA-N -1 3 392.955 3.145 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(F)c(Br)c2F)c(=O)[n-]1 ZINC000622973260 567673325 /nfs/dbraw/zinc/67/33/25/567673325.db2.gz RCOGQHMDDDLWHV-UHFFFAOYSA-N -1 3 386.196 3.411 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1F)c1ccc(C(F)(F)F)s1 ZINC000645844041 567673894 /nfs/dbraw/zinc/67/38/94/567673894.db2.gz MPHMDECBFHIOHD-LLVKDONJSA-N -1 3 383.388 3.308 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H]1c1ccc(C)s1 ZINC000441864382 567676675 /nfs/dbraw/zinc/67/66/75/567676675.db2.gz IKRUAPXFQMWPHX-LBPRGKRZSA-N -1 3 378.475 3.207 20 0 GGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000441877703 567676728 /nfs/dbraw/zinc/67/67/28/567676728.db2.gz ABXXFQGPUCRRNQ-UHFFFAOYSA-N -1 3 399.310 3.109 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCS[C@H]1C ZINC000645876171 567678314 /nfs/dbraw/zinc/67/83/14/567678314.db2.gz QMGWOFHTQAXSAU-GXSJLCMTSA-N -1 3 380.329 3.020 20 0 GGADHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645879152 567678687 /nfs/dbraw/zinc/67/86/87/567678687.db2.gz BETVZDFUJDXNBG-APPZFPTMSA-N -1 3 375.821 3.411 20 0 GGADHM CSC[C@H](CCO)NCc1cc(Br)c([O-])c(Br)c1 ZINC000597056585 567678848 /nfs/dbraw/zinc/67/88/48/567678848.db2.gz BSHRNJBSGCCELE-VIFPVBQESA-N -1 3 399.148 3.121 20 0 GGADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481468129 567679073 /nfs/dbraw/zinc/67/90/73/567679073.db2.gz VSTXFDAZHIDXCS-AWEZNQCLSA-N -1 3 378.252 3.286 20 0 GGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000481455762 567679304 /nfs/dbraw/zinc/67/93/04/567679304.db2.gz TVBVFDZKCUJLOK-UHFFFAOYSA-N -1 3 388.555 3.039 20 0 GGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000481452692 567679778 /nfs/dbraw/zinc/67/97/78/567679778.db2.gz TTYMNVOONFQVKU-MEDUHNTESA-N -1 3 385.844 3.308 20 0 GGADHM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000441989017 567680137 /nfs/dbraw/zinc/68/01/37/567680137.db2.gz GKYGYLTUKUKQQJ-QWHCGFSZSA-N -1 3 394.534 3.079 20 0 GGADHM CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000441989015 567680171 /nfs/dbraw/zinc/68/01/71/567680171.db2.gz GKYGYLTUKUKQQJ-CHWSQXEVSA-N -1 3 394.534 3.079 20 0 GGADHM CC[C@@H]1CC[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000531802655 567680215 /nfs/dbraw/zinc/68/02/15/567680215.db2.gz RALNTHQIFKWYBV-TZMCWYRMSA-N -1 3 382.233 3.296 20 0 GGADHM O=S(=O)(CCc1cccs1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481482041 567680507 /nfs/dbraw/zinc/68/05/07/567680507.db2.gz WBUMXWDKDDAPCB-ZDUSSCGKSA-N -1 3 380.318 3.250 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c(F)c1 ZINC000481472597 567680737 /nfs/dbraw/zinc/68/07/37/567680737.db2.gz FCLZEXAWMGVAEM-CYBMUJFWSA-N -1 3 378.252 3.453 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCc2cccc(OCC(F)(F)F)c2)s1 ZINC000481473923 567680844 /nfs/dbraw/zinc/68/08/44/567680844.db2.gz GZQMUXXSBZQJLA-UHFFFAOYSA-N -1 3 394.440 3.168 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(C)o1 ZINC000481474322 567681031 /nfs/dbraw/zinc/68/10/31/567681031.db2.gz IYZQZMHHTXNVDH-MQMHXKEQSA-N -1 3 383.853 3.253 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c(Cl)c1Cl ZINC000481497068 567681531 /nfs/dbraw/zinc/68/15/31/567681531.db2.gz WPKFJHCEFVPGCP-JTQLQIEISA-N -1 3 384.325 3.468 20 0 GGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000481497498 567681773 /nfs/dbraw/zinc/68/17/73/567681773.db2.gz VFDFHFZKBPFWCS-NSHDSACASA-N -1 3 382.295 3.054 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C(C)(C)C)s1 ZINC000553767991 567681746 /nfs/dbraw/zinc/68/17/46/567681746.db2.gz NFBYKEOSGQKBRD-CQSZACIVSA-N -1 3 385.486 3.306 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)ccc1F ZINC000442100084 567682252 /nfs/dbraw/zinc/68/22/52/567682252.db2.gz PVKVGKJQOJQKSK-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(F)cc1F ZINC000481497616 567682891 /nfs/dbraw/zinc/68/28/91/567682891.db2.gz ISTQEPYTZNNTPP-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000481501291 567683885 /nfs/dbraw/zinc/68/38/85/567683885.db2.gz IQACSXPZRVPYQU-LLVKDONJSA-N -1 3 382.295 3.054 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNCc2cscn2)cc1 ZINC000531884686 567684884 /nfs/dbraw/zinc/68/48/84/567684884.db2.gz YCSBVUAMPIGXGY-UHFFFAOYSA-N -1 3 377.466 3.373 20 0 GGADHM COCC1(CC(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CC1 ZINC000573092536 567688378 /nfs/dbraw/zinc/68/83/78/567688378.db2.gz BFMIQDFCNODLEW-UHFFFAOYSA-N -1 3 383.221 3.129 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442255073 567689515 /nfs/dbraw/zinc/68/95/15/567689515.db2.gz DYNWECZXPYGHJP-UHFFFAOYSA-N -1 3 399.259 3.265 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1 ZINC000507619412 567690884 /nfs/dbraw/zinc/69/08/84/567690884.db2.gz GXNHXBWZAYUWCI-UHFFFAOYSA-N -1 3 391.873 3.382 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000553883226 567695163 /nfs/dbraw/zinc/69/51/63/567695163.db2.gz NFXFJYMOLFCYAE-KFWWJZLASA-N -1 3 391.892 3.457 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)no1 ZINC000573201982 567695340 /nfs/dbraw/zinc/69/53/40/567695340.db2.gz JGBSHFRWJDAIEB-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM CCn1ncc2cc(C(=O)Nc3cc(Br)ccc3[O-])c(C)nc21 ZINC000442571351 567695940 /nfs/dbraw/zinc/69/59/40/567695940.db2.gz UNAOWYWIQWAEDV-UHFFFAOYSA-N -1 3 375.226 3.480 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCSC(C)C ZINC000553892198 567696397 /nfs/dbraw/zinc/69/63/97/567696397.db2.gz SYMUTHRPHXOMCH-LBPRGKRZSA-N -1 3 381.947 3.174 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1Br ZINC000553905764 567696944 /nfs/dbraw/zinc/69/69/44/567696944.db2.gz OCBCFMZMXRXVBO-PSLIRLAXSA-N -1 3 386.242 3.389 20 0 GGADHM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000553895683 567696993 /nfs/dbraw/zinc/69/69/93/567696993.db2.gz QUOXJYRLXCMWJQ-AWEZNQCLSA-N -1 3 375.918 3.062 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000553908592 567698806 /nfs/dbraw/zinc/69/88/06/567698806.db2.gz UBLBJXGLATZWBE-OAHLLOKOSA-N -1 3 390.288 3.404 20 0 GGADHM COCCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000532117661 567698868 /nfs/dbraw/zinc/69/88/68/567698868.db2.gz MPGKRLRRWMTJEW-UHFFFAOYSA-N -1 3 393.281 3.227 20 0 GGADHM CC(C)(C)OC(=O)C1(C(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000597410573 567699112 /nfs/dbraw/zinc/69/91/12/567699112.db2.gz RGEIWVNPMVCRJW-UHFFFAOYSA-N -1 3 384.270 3.283 20 0 GGADHM C[C@@H](NC(=O)c1cc(Br)cs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646199609 567699582 /nfs/dbraw/zinc/69/95/82/567699582.db2.gz WMLKTPXLJGZRBC-DTWKUNHWSA-N -1 3 398.282 3.004 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2cccc(C)c2)cc1OC ZINC000460752490 567701328 /nfs/dbraw/zinc/70/13/28/567701328.db2.gz LDGPIAJQDNSYFS-UHFFFAOYSA-N -1 3 383.853 3.386 20 0 GGADHM COc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c(Br)c1[O-] ZINC000573291544 567702461 /nfs/dbraw/zinc/70/24/61/567702461.db2.gz SOSOPAZLHKVHDJ-KXBFYZLASA-N -1 3 392.293 3.419 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000442734079 567702759 /nfs/dbraw/zinc/70/27/59/567702759.db2.gz DYCNOPZKAFYIES-WDEREUQCSA-N -1 3 399.456 3.490 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)s2)c1 ZINC000442732112 567703101 /nfs/dbraw/zinc/70/31/01/567703101.db2.gz XILQYVYSWGIKCU-SNVBAGLBSA-N -1 3 392.344 3.403 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)CCCC1 ZINC000442745075 567704214 /nfs/dbraw/zinc/70/42/14/567704214.db2.gz UZHXAMJBFVMPTG-UHFFFAOYSA-N -1 3 389.539 3.108 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C1CCCC1 ZINC000442744353 567704426 /nfs/dbraw/zinc/70/44/26/567704426.db2.gz HFWRFWVPDDCURL-CQSZACIVSA-N -1 3 389.539 3.107 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1nc(C(C)C)c(C)s1 ZINC000442744733 567704578 /nfs/dbraw/zinc/70/45/78/567704578.db2.gz TUBNPCLVIJCKSC-UHFFFAOYSA-N -1 3 388.536 3.210 20 0 GGADHM COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)N(C)C ZINC000460828801 567704993 /nfs/dbraw/zinc/70/49/93/567704993.db2.gz NUICXIPUFJTQTJ-UHFFFAOYSA-N -1 3 384.841 3.137 20 0 GGADHM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(C)C ZINC000442746816 567705479 /nfs/dbraw/zinc/70/54/79/567705479.db2.gz HVPJXJURACLQHH-QWHCGFSZSA-N -1 3 389.539 3.105 20 0 GGADHM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(C)C ZINC000442746814 567705700 /nfs/dbraw/zinc/70/57/00/567705700.db2.gz HVPJXJURACLQHH-CHWSQXEVSA-N -1 3 389.539 3.105 20 0 GGADHM CCCN(CCC)S(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000532263376 567706206 /nfs/dbraw/zinc/70/62/06/567706206.db2.gz IIWGJDFBWOGFJA-UHFFFAOYSA-N -1 3 392.312 3.353 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccccc1C ZINC000442767147 567706496 /nfs/dbraw/zinc/70/64/96/567706496.db2.gz PYGBECNKLNBQFD-UHFFFAOYSA-N -1 3 381.519 3.408 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCc1nc2ccc(Br)cc2o1 ZINC000460868364 567706600 /nfs/dbraw/zinc/70/66/00/567706600.db2.gz BHMBOTOZXLFZDG-UHFFFAOYSA-N -1 3 399.270 3.216 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(CC)CC ZINC000442762334 567706858 /nfs/dbraw/zinc/70/68/58/567706858.db2.gz QOUVUETYUZBGJP-OLZOCXBDSA-N -1 3 389.539 3.105 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C(C3CCC3)C3CCC3)cc2N1 ZINC000573346741 567707203 /nfs/dbraw/zinc/70/72/03/567707203.db2.gz ZJNGACOUISTHAE-UHFFFAOYSA-N -1 3 382.913 3.472 20 0 GGADHM COc1cc(F)cc2sc(NC(=O)c3c(C)[n-]c(=O)nc3SC)nc21 ZINC000532298578 567707471 /nfs/dbraw/zinc/70/74/71/567707471.db2.gz JCGDWIVJYDEYMT-UHFFFAOYSA-N -1 3 380.426 3.222 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000442770714 567708651 /nfs/dbraw/zinc/70/86/51/567708651.db2.gz QIOPSIPDBDJYMC-LBPRGKRZSA-N -1 3 385.532 3.302 20 0 GGADHM CCOc1cccc(C[N-]S(=O)(=O)c2cnc(CC)s2)c1OC(F)F ZINC000460897762 567709067 /nfs/dbraw/zinc/70/90/67/567709067.db2.gz IUBOOEWJNYTAJG-UHFFFAOYSA-N -1 3 392.449 3.184 20 0 GGADHM Cc1ccc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c([O-])c1 ZINC000646344065 567709229 /nfs/dbraw/zinc/70/92/29/567709229.db2.gz ZUNUTRJYKBUHMO-CYBMUJFWSA-N -1 3 377.238 3.152 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ncc(-c2cccc(C)c2)s1 ZINC000554109751 567710099 /nfs/dbraw/zinc/71/00/99/567710099.db2.gz HFGBZCABQBOPHZ-WFASDCNBSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ncc(-c2cccc(C)c2)s1 ZINC000554109750 567710122 /nfs/dbraw/zinc/71/01/22/567710122.db2.gz HFGBZCABQBOPHZ-SWLSCSKDSA-N -1 3 381.523 3.021 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)s1 ZINC000460941324 567710656 /nfs/dbraw/zinc/71/06/56/567710656.db2.gz WXDPMNUZKNNMMD-UHFFFAOYSA-N -1 3 394.547 3.135 20 0 GGADHM COc1c(C[N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)c(C)nn1C ZINC000460933230 567710818 /nfs/dbraw/zinc/71/08/18/567710818.db2.gz XEWGUUOZGHDMPG-UHFFFAOYSA-N -1 3 399.925 3.392 20 0 GGADHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000573409211 567711134 /nfs/dbraw/zinc/71/11/34/567711134.db2.gz PVGWGOFTJQYPRV-VIFPVBQESA-N -1 3 394.280 3.094 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2OC)s1 ZINC000460928824 567711172 /nfs/dbraw/zinc/71/11/72/567711172.db2.gz VFZCAEILRGZUPQ-KRWDZBQOSA-N -1 3 378.475 3.375 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)s1 ZINC000460947326 567712011 /nfs/dbraw/zinc/71/20/11/567712011.db2.gz RALBIEAKKKNNJR-UHFFFAOYSA-N -1 3 387.324 3.436 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000460950165 567712113 /nfs/dbraw/zinc/71/21/13/567712113.db2.gz PBBJNLXTXPVSOU-INIZCTEOSA-N -1 3 379.551 3.129 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)s1 ZINC000460954807 567712293 /nfs/dbraw/zinc/71/22/93/567712293.db2.gz WMXCPZHZIPSHIV-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cn1 ZINC000442849638 567712554 /nfs/dbraw/zinc/71/25/54/567712554.db2.gz UODVAHIIANDUOF-UHFFFAOYSA-N -1 3 393.209 3.322 20 0 GGADHM CCc1cccnc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442863465 567712761 /nfs/dbraw/zinc/71/27/61/567712761.db2.gz REGAILYNGVGIBK-GFCCVEGCSA-N -1 3 385.892 3.066 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)cc(F)c1 ZINC000442874494 567713872 /nfs/dbraw/zinc/71/38/72/567713872.db2.gz MHKXUXTZCVIWFS-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM CSc1ccccc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442878414 567714208 /nfs/dbraw/zinc/71/42/08/567714208.db2.gz SZSNXWWXPVVYHM-LBPRGKRZSA-N -1 3 386.489 3.316 20 0 GGADHM CSc1ccc([O-])c(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)c1 ZINC000666944020 567714412 /nfs/dbraw/zinc/71/44/12/567714412.db2.gz OJUJAUZKAHAHHG-UHFFFAOYSA-N -1 3 376.503 3.082 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCSc2ccccc21)c1ccc(F)cc1F ZINC000442893895 567716051 /nfs/dbraw/zinc/71/60/51/567716051.db2.gz YOQLSQJLGINBLQ-OAHLLOKOSA-N -1 3 384.473 3.070 20 0 GGADHM COc1cc(C(=O)N(C)CCOc2ccc(Br)cc2)ccc1[O-] ZINC000442906185 567716144 /nfs/dbraw/zinc/71/61/44/567716144.db2.gz XERGVHQVZBZMDN-UHFFFAOYSA-N -1 3 380.238 3.314 20 0 GGADHM COc1cccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000442888751 567716264 /nfs/dbraw/zinc/71/62/64/567716264.db2.gz HOPXSHSNDXDNCJ-GFCCVEGCSA-N -1 3 386.876 3.117 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1csc(Cl)c1 ZINC000442894368 567716327 /nfs/dbraw/zinc/71/63/27/567716327.db2.gz ZDQSXQBGABOKNS-SECBINFHSA-N -1 3 380.869 3.309 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1csc(Cl)c1 ZINC000442894372 567716427 /nfs/dbraw/zinc/71/64/27/567716427.db2.gz ZDQSXQBGABOKNS-VIFPVBQESA-N -1 3 380.869 3.309 20 0 GGADHM CCOc1ncc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1Cl ZINC000461019779 567716814 /nfs/dbraw/zinc/71/68/14/567716814.db2.gz BMMMWDDOXQJIGB-UHFFFAOYSA-N -1 3 383.857 3.066 20 0 GGADHM O=C(NCc1ccc2c(c1)COC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532465965 567716879 /nfs/dbraw/zinc/71/68/79/567716879.db2.gz JGETUCNWGWSKAA-UHFFFAOYSA-N -1 3 399.244 3.251 20 0 GGADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2cncc(Br)c2)c1F ZINC000507933477 567717012 /nfs/dbraw/zinc/71/70/12/567717012.db2.gz HZTNMWGFWUREMY-UHFFFAOYSA-N -1 3 393.209 3.322 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)c1 ZINC000507936399 567717470 /nfs/dbraw/zinc/71/74/70/567717470.db2.gz PXEGYYOVPXKWGY-UHFFFAOYSA-N -1 3 396.306 3.294 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000442911725 567717672 /nfs/dbraw/zinc/71/76/72/567717672.db2.gz HCGMTKUOENYRHS-CQSZACIVSA-N -1 3 379.503 3.242 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000442907449 567717759 /nfs/dbraw/zinc/71/77/59/567717759.db2.gz JUHDBAOAPZTDEI-CQSZACIVSA-N -1 3 395.897 3.107 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000442907449 567717764 /nfs/dbraw/zinc/71/77/64/567717764.db2.gz JUHDBAOAPZTDEI-CQSZACIVSA-N -1 3 395.897 3.107 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000573506432 567717731 /nfs/dbraw/zinc/71/77/31/567717731.db2.gz MDYHVKPTFTUODN-VIFPVBQESA-N -1 3 398.319 3.161 20 0 GGADHM CC(C)=CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000573496998 567717984 /nfs/dbraw/zinc/71/79/84/567717984.db2.gz VJMGLMNDMVYBJX-UHFFFAOYSA-N -1 3 398.834 3.110 20 0 GGADHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1ccc(F)cc1Cl ZINC000507962386 567718233 /nfs/dbraw/zinc/71/82/33/567718233.db2.gz CAXRRMZDKPVADV-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)nc2)c1 ZINC000507949338 567718652 /nfs/dbraw/zinc/71/86/52/567718652.db2.gz GUIOSBXEOHNDPQ-UHFFFAOYSA-N -1 3 383.857 3.283 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442940391 567718888 /nfs/dbraw/zinc/71/88/88/567718888.db2.gz KPHPRLJWOQCVBU-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442940391 567718895 /nfs/dbraw/zinc/71/88/95/567718895.db2.gz KPHPRLJWOQCVBU-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(OC)c1)c1ccccc1 ZINC000507965164 567719659 /nfs/dbraw/zinc/71/96/59/567719659.db2.gz MHSHBBVPQUIUHN-CQSZACIVSA-N -1 3 383.853 3.047 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(OC)c1)c1ccccc1 ZINC000507965163 567719754 /nfs/dbraw/zinc/71/97/54/567719754.db2.gz MHSHBBVPQUIUHN-AWEZNQCLSA-N -1 3 383.853 3.047 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000461114833 567720932 /nfs/dbraw/zinc/72/09/32/567720932.db2.gz QZNCPDAKVCUQBK-JOCHJYFZSA-N -1 3 375.874 3.467 20 0 GGADHM O=S(=O)(CCc1ccccc1Br)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000461109209 567721298 /nfs/dbraw/zinc/72/12/98/567721298.db2.gz CVAPCQXAAAWAEO-UHFFFAOYSA-N -1 3 398.204 3.175 20 0 GGADHM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442984328 567721728 /nfs/dbraw/zinc/72/17/28/567721728.db2.gz SNCUXXWSADJSGC-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442984328 567721734 /nfs/dbraw/zinc/72/17/34/567721734.db2.gz SNCUXXWSADJSGC-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000508028372 567722271 /nfs/dbraw/zinc/72/22/71/567722271.db2.gz JKZUHYFAUNVARC-UHFFFAOYSA-N -1 3 384.860 3.403 20 0 GGADHM CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443024951 567724288 /nfs/dbraw/zinc/72/42/88/567724288.db2.gz NWMGZEHCALWLHS-LBPRGKRZSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443024951 567724294 /nfs/dbraw/zinc/72/42/94/567724294.db2.gz NWMGZEHCALWLHS-LBPRGKRZSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(OC)c1 ZINC000443015509 567724340 /nfs/dbraw/zinc/72/43/40/567724340.db2.gz SIAVTRITOZDNGZ-NSHDSACASA-N -1 3 383.853 3.175 20 0 GGADHM C[C@@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000532614868 567724627 /nfs/dbraw/zinc/72/46/27/567724627.db2.gz HNMQISPJANSFTO-CYBMUJFWSA-N -1 3 393.281 3.247 20 0 GGADHM CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443023607 567724652 /nfs/dbraw/zinc/72/46/52/567724652.db2.gz MCDUUTOVTWVUAK-IAQYHMDHSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443023607 567724659 /nfs/dbraw/zinc/72/46/59/567724659.db2.gz MCDUUTOVTWVUAK-IAQYHMDHSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000443021135 567724952 /nfs/dbraw/zinc/72/49/52/567724952.db2.gz GOXZHCXSZPJTSY-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM CC1(C)CCCc2sc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)nc21 ZINC000461246247 567725794 /nfs/dbraw/zinc/72/57/94/567725794.db2.gz UWBBYAASLBPMTJ-UHFFFAOYSA-N -1 3 379.507 3.381 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]CC(F)(F)c3ccc(Cl)cc3)cc12 ZINC000508082330 567726271 /nfs/dbraw/zinc/72/62/71/567726271.db2.gz GWCZKHOUEHOAIR-UHFFFAOYSA-N -1 3 387.795 3.255 20 0 GGADHM CSc1ccc([O-])c(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000667131125 567727200 /nfs/dbraw/zinc/72/72/00/567727200.db2.gz QELMYOLQXUVHPA-UHFFFAOYSA-N -1 3 376.503 3.210 20 0 GGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(Cl)c1 ZINC000508090897 567728134 /nfs/dbraw/zinc/72/81/34/567728134.db2.gz YNODHBJORILOER-UHFFFAOYSA-N -1 3 381.837 3.171 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000443071692 567728602 /nfs/dbraw/zinc/72/86/02/567728602.db2.gz OFDBCOARFNEPAB-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443068355 567728858 /nfs/dbraw/zinc/72/88/58/567728858.db2.gz KMJCZMSVGKCOQT-HNNXBMFYSA-N -1 3 381.881 3.426 20 0 GGADHM O=C(N[C@H]1CCOC2(CCC2)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532687193 567728842 /nfs/dbraw/zinc/72/88/42/567728842.db2.gz VBMHZXMQPVWOLU-LBPRGKRZSA-N -1 3 391.265 3.122 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCCCOC1CCCCC1 ZINC000443066384 567729081 /nfs/dbraw/zinc/72/90/81/567729081.db2.gz HRFTYAXJNXNEME-UHFFFAOYSA-N -1 3 389.539 3.333 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2SC)cc1F ZINC000443074623 567729110 /nfs/dbraw/zinc/72/91/10/567729110.db2.gz FJRBFQDPIYGGFR-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM CN(CCOc1ccc(Br)cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554444067 567729365 /nfs/dbraw/zinc/72/93/65/567729365.db2.gz GRTOWZOHAGVFGX-UHFFFAOYSA-N -1 3 389.253 3.061 20 0 GGADHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)[N-]c1ncn(C)n1 ZINC000554456947 567729654 /nfs/dbraw/zinc/72/96/54/567729654.db2.gz CWQWZUUUZMWYAI-UHFFFAOYSA-N -1 3 376.214 3.047 20 0 GGADHM CC(C)(C)n1cc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000461333117 567729897 /nfs/dbraw/zinc/72/98/97/567729897.db2.gz QYXHIHDKAAIEBD-UHFFFAOYSA-N -1 3 386.315 3.385 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000443089036 567730315 /nfs/dbraw/zinc/73/03/15/567730315.db2.gz UELRPJFSVZIIDQ-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000443091658 567731489 /nfs/dbraw/zinc/73/14/89/567731489.db2.gz HULYEUFWJCBWOT-UHFFFAOYSA-N -1 3 383.466 3.073 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000443096595 567731593 /nfs/dbraw/zinc/73/15/93/567731593.db2.gz VWXFENVTUTZINO-CYBMUJFWSA-N -1 3 388.898 3.259 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1(c2ccccc2)CC1 ZINC000573732395 567732555 /nfs/dbraw/zinc/73/25/55/567732555.db2.gz BLKDZGVAVLBFDF-UHFFFAOYSA-N -1 3 399.299 3.077 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(C)(C)C)c1ccccc1 ZINC000443103453 567732624 /nfs/dbraw/zinc/73/26/24/567732624.db2.gz LIAFLTQSZPDIRB-CYBMUJFWSA-N -1 3 382.507 3.386 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443110747 567732651 /nfs/dbraw/zinc/73/26/51/567732651.db2.gz OHZAIYPPGZAFMX-ZDUSSCGKSA-N -1 3 387.910 3.488 20 0 GGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(Cl)c1 ZINC000508141621 567732762 /nfs/dbraw/zinc/73/27/62/567732762.db2.gz GTXAUAKLACTURP-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000443109925 567732851 /nfs/dbraw/zinc/73/28/51/567732851.db2.gz QOJMEPMVJXHZHQ-ZETCQYMHSA-N -1 3 395.289 3.276 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000443114093 567732878 /nfs/dbraw/zinc/73/28/78/567732878.db2.gz FEQPOJQSAKJPMV-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1 ZINC000508129690 567732991 /nfs/dbraw/zinc/73/29/91/567732991.db2.gz BQUZMLRNRDLPPF-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1cccc2ccccc21 ZINC000443108970 567733032 /nfs/dbraw/zinc/73/30/32/567733032.db2.gz OJKVYDQZQOMIFK-LLVKDONJSA-N -1 3 376.459 3.122 20 0 GGADHM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1Br ZINC000508132915 567733113 /nfs/dbraw/zinc/73/31/13/567733113.db2.gz PCDXYRSSDRQESA-UHFFFAOYSA-N -1 3 397.294 3.226 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554525972 567733247 /nfs/dbraw/zinc/73/32/47/567733247.db2.gz LJDZBURHLAQXPH-NSHDSACASA-N -1 3 391.244 3.411 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1csc(-c2ccccc2)n1 ZINC000554527860 567733519 /nfs/dbraw/zinc/73/35/19/567733519.db2.gz GWKSGCLCFHESCH-HNNXBMFYSA-N -1 3 378.519 3.438 20 0 GGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443121206 567733872 /nfs/dbraw/zinc/73/38/72/567733872.db2.gz WMUPZVKYAGJSBZ-LBPRGKRZSA-N -1 3 385.507 3.171 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000532775583 567734360 /nfs/dbraw/zinc/73/43/60/567734360.db2.gz ILGGEUQNEHBOIA-HNNXBMFYSA-N -1 3 383.828 3.232 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)c(Cl)c1Cl ZINC000532775373 567734498 /nfs/dbraw/zinc/73/44/98/567734498.db2.gz WJBVVWCAIUDFSQ-LBPRGKRZSA-N -1 3 390.288 3.322 20 0 GGADHM O=S(=O)([N-]CCNCc1cc2cc(F)ccc2o1)c1ccc(Cl)s1 ZINC000532783380 567734592 /nfs/dbraw/zinc/73/45/92/567734592.db2.gz NTWHTLCUNQJIBV-UHFFFAOYSA-N -1 3 388.873 3.355 20 0 GGADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)no1 ZINC000443144037 567734980 /nfs/dbraw/zinc/73/49/80/567734980.db2.gz JYNHRXCQGOYUJC-UHFFFAOYSA-N -1 3 378.281 3.294 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)CCCC1 ZINC000573762815 567734979 /nfs/dbraw/zinc/73/49/79/567734979.db2.gz AINFOPUGZDDLAH-UHFFFAOYSA-N -1 3 380.293 3.146 20 0 GGADHM CC(C)(C)[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000573768703 567735132 /nfs/dbraw/zinc/73/51/32/567735132.db2.gz CNDYRLTZTOAULQ-NSHDSACASA-N -1 3 393.336 3.166 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-][C@@H]([C@@H](C)CC)C(F)(F)F)c1 ZINC000508183832 567735468 /nfs/dbraw/zinc/73/54/68/567735468.db2.gz ZVSRLEOIIBBTPY-NHYWBVRUSA-N -1 3 381.416 3.048 20 0 GGADHM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc(F)cc2nn[n-]c21 ZINC000554566664 567735638 /nfs/dbraw/zinc/73/56/38/567735638.db2.gz HUXCNEXWTDVJLB-AAEUAGOBSA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc(F)cc2[n-]nnc21 ZINC000554566664 567735643 /nfs/dbraw/zinc/73/56/43/567735643.db2.gz HUXCNEXWTDVJLB-AAEUAGOBSA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc(F)cc2n[n-]nc21 ZINC000554566664 567735650 /nfs/dbraw/zinc/73/56/50/567735650.db2.gz HUXCNEXWTDVJLB-AAEUAGOBSA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc(F)cc2nn[n-]c21 ZINC000554566665 567735742 /nfs/dbraw/zinc/73/57/42/567735742.db2.gz HUXCNEXWTDVJLB-DGCLKSJQSA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc(F)cc2[n-]nnc21 ZINC000554566665 567735746 /nfs/dbraw/zinc/73/57/46/567735746.db2.gz HUXCNEXWTDVJLB-DGCLKSJQSA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc(F)cc2n[n-]nc21 ZINC000554566665 567735750 /nfs/dbraw/zinc/73/57/50/567735750.db2.gz HUXCNEXWTDVJLB-DGCLKSJQSA-N -1 3 375.201 3.145 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000532790308 567736098 /nfs/dbraw/zinc/73/60/98/567736098.db2.gz KWTBQPFVKFKLOW-VXGBXAGGSA-N -1 3 378.947 3.012 20 0 GGADHM CCCN1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1=O ZINC000573791734 567736780 /nfs/dbraw/zinc/73/67/80/567736780.db2.gz IMDFTNOYQGRURL-CYBMUJFWSA-N -1 3 380.897 3.030 20 0 GGADHM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1csc2ccccc21 ZINC000508202607 567736843 /nfs/dbraw/zinc/73/68/43/567736843.db2.gz FOGSKXVDQFFHSV-UHFFFAOYSA-N -1 3 391.865 3.331 20 0 GGADHM O=C(NCCc1ccc(F)c(Br)c1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646704710 567737248 /nfs/dbraw/zinc/73/72/48/567737248.db2.gz AWRWNLDOLIZNJJ-UHFFFAOYSA-N -1 3 378.201 3.143 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1O ZINC000443176094 567737315 /nfs/dbraw/zinc/73/73/15/567737315.db2.gz JESNRRMLUSHHQF-WBVHZDCISA-N -1 3 377.849 3.331 20 0 GGADHM COc1cc([N-]C(=O)c2c(C)onc2-c2cccc(Br)c2)ncn1 ZINC000532827282 567737349 /nfs/dbraw/zinc/73/73/49/567737349.db2.gz JUBFULUUQOIZHW-UHFFFAOYSA-N -1 3 389.209 3.463 20 0 GGADHM COc1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)c(OC)n1 ZINC000461471037 567738032 /nfs/dbraw/zinc/73/80/32/567738032.db2.gz LVDAIMOGUYWIAN-UHFFFAOYSA-N -1 3 378.841 3.134 20 0 GGADHM CCCSCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461470339 567738198 /nfs/dbraw/zinc/73/81/98/567738198.db2.gz VAOCCLZVPRPFTM-UHFFFAOYSA-N -1 3 380.894 3.002 20 0 GGADHM O=C(Cc1cccs1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461468762 567738209 /nfs/dbraw/zinc/73/82/09/567738209.db2.gz FBOXFSMGAOUWRM-UHFFFAOYSA-N -1 3 388.873 3.163 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3Cl)c2)s1 ZINC000532843068 567738298 /nfs/dbraw/zinc/73/82/98/567738298.db2.gz FAFGBJCWFPBOHJ-UHFFFAOYSA-N -1 3 395.893 3.116 20 0 GGADHM CC(C)(C)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000443199975 567738716 /nfs/dbraw/zinc/73/87/16/567738716.db2.gz SFEOWJGOKQWDQJ-LBPRGKRZSA-N -1 3 379.309 3.064 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC2(O)CCCCCC2)c(Cl)c1Cl ZINC000443206944 567739851 /nfs/dbraw/zinc/73/98/51/567739851.db2.gz XZGOIUQMWRDGIK-UHFFFAOYSA-N -1 3 382.309 3.366 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1csc(-c2ccccc2)n1 ZINC000532866034 567740358 /nfs/dbraw/zinc/74/03/58/567740358.db2.gz HRAISNPJXALJBZ-PBHICJAKSA-N -1 3 396.559 3.143 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCCCc2ccccc21 ZINC000461572466 567740817 /nfs/dbraw/zinc/74/08/17/567740817.db2.gz HXOMDWMPSMDDTM-AWEZNQCLSA-N -1 3 378.519 3.175 20 0 GGADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000443226559 567741171 /nfs/dbraw/zinc/74/11/71/567741171.db2.gz NJIKVRMFTWFWFH-UHFFFAOYSA-N -1 3 393.305 3.113 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)COc1cc(Cl)ccc1Cl ZINC000508297073 567741357 /nfs/dbraw/zinc/74/13/57/567741357.db2.gz FVUYRIXBOREZGS-UHFFFAOYSA-N -1 3 376.221 3.039 20 0 GGADHM COc1cccc(N2C[C@H](NCc3cc([O-])ccc3Br)CC2=O)c1 ZINC000532886569 567741721 /nfs/dbraw/zinc/74/17/21/567741721.db2.gz VBAJQRCNFWDVQD-CYBMUJFWSA-N -1 3 391.265 3.058 20 0 GGADHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000443228677 567742534 /nfs/dbraw/zinc/74/25/34/567742534.db2.gz WBODAJUPTAZUQR-OAHLLOKOSA-N -1 3 381.906 3.437 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1c[n-]c2ccncc2c1=O ZINC000646787570 567742614 /nfs/dbraw/zinc/74/26/14/567742614.db2.gz IDSJVHIOOIZEAB-UHFFFAOYSA-N -1 3 390.212 3.097 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)cc1Cl ZINC000443260060 567743390 /nfs/dbraw/zinc/74/33/90/567743390.db2.gz GDURUZLPLVJYEJ-ZDUSSCGKSA-N -1 3 394.251 3.153 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000443255188 567743429 /nfs/dbraw/zinc/74/34/29/567743429.db2.gz XVEIQCVXDSHMRB-LLVKDONJSA-N -1 3 387.910 3.345 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CC1 ZINC000443259211 567743478 /nfs/dbraw/zinc/74/34/78/567743478.db2.gz ZAKJUZPQBUMSEN-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c(Cl)c1Cl ZINC000443263159 567743770 /nfs/dbraw/zinc/74/37/70/567743770.db2.gz MGEFVHSHHQFNDM-NSHDSACASA-N -1 3 394.251 3.153 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000554707277 567744169 /nfs/dbraw/zinc/74/41/69/567744169.db2.gz HDALXXRRKVZKHV-MEDUHNTESA-N -1 3 382.279 3.391 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000443277618 567745129 /nfs/dbraw/zinc/74/51/29/567745129.db2.gz WHIRTMNTOLHQIZ-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM O=C(NCCCNC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc([O-])c1 ZINC000508376934 567746408 /nfs/dbraw/zinc/74/64/08/567746408.db2.gz JXXQQIPOYVNEQF-UHFFFAOYSA-N -1 3 385.222 3.388 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1C[C@@]12CCOC2 ZINC000461756376 567746908 /nfs/dbraw/zinc/74/69/08/567746908.db2.gz VYATVAAYPWIQMS-MEDUHNTESA-N -1 3 396.672 3.280 20 0 GGADHM CC1(C)CC[C@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000508404676 567747317 /nfs/dbraw/zinc/74/73/17/567747317.db2.gz ULOXYFWSFQGBII-NSHDSACASA-N -1 3 393.336 3.357 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443310089 567747472 /nfs/dbraw/zinc/74/74/72/567747472.db2.gz IBBLAPYIIAPZTR-NSHDSACASA-N -1 3 398.750 3.426 20 0 GGADHM O=S(=O)([N-]CCNCc1cnc(C2CCCCC2)s1)c1cccs1 ZINC000533008147 567747486 /nfs/dbraw/zinc/74/74/86/567747486.db2.gz VQGUWSDZCXYELC-UHFFFAOYSA-N -1 3 385.580 3.320 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)s1 ZINC000443323391 567748118 /nfs/dbraw/zinc/74/81/18/567748118.db2.gz RILYXQRKTXCRLJ-ZDUSSCGKSA-N -1 3 396.372 3.429 20 0 GGADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000443319221 567748505 /nfs/dbraw/zinc/74/85/05/567748505.db2.gz WIMAXJBFMAPMRA-CQSZACIVSA-N -1 3 383.407 3.454 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443333373 567749249 /nfs/dbraw/zinc/74/92/49/567749249.db2.gz JUSVWCNLPJBXGQ-ONGXEEELSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@H]2O)sc1Br ZINC000443343021 567749536 /nfs/dbraw/zinc/74/95/36/567749536.db2.gz OEILEANRZYZTFN-MFKMUULPSA-N -1 3 382.345 3.039 20 0 GGADHM C[C@H]1[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)C1(F)F ZINC000461872776 567751047 /nfs/dbraw/zinc/75/10/47/567751047.db2.gz XFZTXAMUXSQQAD-SSDLBLMSSA-N -1 3 375.148 3.213 20 0 GGADHM COc1ccc(CNc2ncccc2N2CCOCC2)c(Br)c1[O-] ZINC000508490426 567751444 /nfs/dbraw/zinc/75/14/44/567751444.db2.gz QDZPQVCSYZUPDW-UHFFFAOYSA-N -1 3 394.269 3.007 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(F)cc1C ZINC000443350099 567751438 /nfs/dbraw/zinc/75/14/38/567751438.db2.gz IECVXLIWSVQIPL-UHFFFAOYSA-N -1 3 385.844 3.095 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000443345483 567751491 /nfs/dbraw/zinc/75/14/91/567751491.db2.gz KVARYKWKWZFXBJ-CHWSQXEVSA-N -1 3 391.942 3.469 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC[C@@H]1O ZINC000443354455 567751503 /nfs/dbraw/zinc/75/15/03/567751503.db2.gz ISBRSOCPRRDQCW-KBPBESRZSA-N -1 3 396.734 3.322 20 0 GGADHM Cc1c(Br)cccc1-c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000554833119 567751642 /nfs/dbraw/zinc/75/16/42/567751642.db2.gz YZVXEAMWTWGHQG-UHFFFAOYSA-N -1 3 376.214 3.036 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@H]2O)s1 ZINC000443360786 567752004 /nfs/dbraw/zinc/75/20/04/567752004.db2.gz SSLWSNWSRNPVRQ-YPMHNXCESA-N -1 3 382.345 3.039 20 0 GGADHM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443361996 567752213 /nfs/dbraw/zinc/75/22/13/567752213.db2.gz WQGLVIHGAYAJPQ-UHFFFAOYSA-N -1 3 383.491 3.110 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)c(Cl)c1Cl ZINC000443376294 567752225 /nfs/dbraw/zinc/75/22/25/567752225.db2.gz WLEFLCUSJQDQKB-LLVKDONJSA-N -1 3 382.309 3.222 20 0 GGADHM CCc1nnc([N-]C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)s1 ZINC000508510503 567752134 /nfs/dbraw/zinc/75/21/34/567752134.db2.gz FMYQHYATHVBELF-UHFFFAOYSA-N -1 3 380.886 3.286 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2ccc(SC)cc2)c1 ZINC000461886664 567752259 /nfs/dbraw/zinc/75/22/59/567752259.db2.gz CCJIOLWYTPCUTC-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCC[C@@H]1O ZINC000443375642 567752284 /nfs/dbraw/zinc/75/22/84/567752284.db2.gz OOHGLYRHQCHFKA-UONOGXRCSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCC[C@H]1O ZINC000443375441 567752875 /nfs/dbraw/zinc/75/28/75/567752875.db2.gz OOHGLYRHQCHFKA-KGLIPLIRSA-N -1 3 396.734 3.322 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc2ccoc2c1 ZINC000443381814 567753781 /nfs/dbraw/zinc/75/37/81/567753781.db2.gz HRAAUVPBOUINJV-UHFFFAOYSA-N -1 3 399.881 3.248 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC000646992140 567753833 /nfs/dbraw/zinc/75/38/33/567753833.db2.gz GGLYVDPDAIAUGG-CQSZACIVSA-N -1 3 398.937 3.182 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ncsc2C(F)(F)F)c1 ZINC000554882772 567754423 /nfs/dbraw/zinc/75/44/23/567754423.db2.gz VRBXAWMDGIUEFJ-UHFFFAOYSA-N -1 3 384.788 3.471 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn(C)c1=O ZINC000443408528 567754713 /nfs/dbraw/zinc/75/47/13/567754713.db2.gz HUYGFMHSVFBNHU-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000443408692 567755406 /nfs/dbraw/zinc/75/54/06/567755406.db2.gz UPULBBKVTZEAPJ-UHFFFAOYSA-N -1 3 379.247 3.166 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1csc(-c2ccccc2)n1 ZINC000533149877 567755466 /nfs/dbraw/zinc/75/54/66/567755466.db2.gz VRVJANJYGQIEJV-FVQBIDKESA-N -1 3 376.503 3.046 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(F)c(Br)c2)s1 ZINC000533176586 567756583 /nfs/dbraw/zinc/75/65/83/567756583.db2.gz NMAOZJVAIAOSEQ-QMMMGPOBSA-N -1 3 393.303 3.263 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CCc2nc(-c3ccccc3)c(C)s2)s1 ZINC000533175536 567756794 /nfs/dbraw/zinc/75/67/94/567756794.db2.gz DCOWOGGLIUNECT-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)cc1C(N)=O ZINC000443461570 567758617 /nfs/dbraw/zinc/75/86/17/567758617.db2.gz DOGAPVCQYRMHBO-UHFFFAOYSA-N -1 3 389.260 3.210 20 0 GGADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCCC1CCOCC1 ZINC000574165320 567759485 /nfs/dbraw/zinc/75/94/85/567759485.db2.gz VGLPOYSNHYGVTE-KRWDZBQOSA-N -1 3 382.298 3.467 20 0 GGADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2O1 ZINC000443466724 567759673 /nfs/dbraw/zinc/75/96/73/567759673.db2.gz PXBGKPZZFYIJCZ-INIZCTEOSA-N -1 3 381.837 3.007 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)s1 ZINC000554963120 567759594 /nfs/dbraw/zinc/75/95/94/567759594.db2.gz ZWAOZTRLXJPCHM-QGZVFWFLSA-N -1 3 378.519 3.078 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)o1 ZINC000533200971 567759570 /nfs/dbraw/zinc/75/95/70/567759570.db2.gz ZSQHITFWHAHLKG-SECBINFHSA-N -1 3 380.495 3.325 20 0 GGADHM COC[C@H](C)[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000462027405 567759859 /nfs/dbraw/zinc/75/98/59/567759859.db2.gz MOYMUIHDLOCINQ-UWVGGRQHSA-N -1 3 384.249 3.257 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN(C)CC1 ZINC000554970776 567760010 /nfs/dbraw/zinc/76/00/10/567760010.db2.gz QETNXIMIKNUISD-UHFFFAOYSA-N -1 3 389.395 3.161 20 0 GGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1Cl ZINC000443465130 567759998 /nfs/dbraw/zinc/75/99/98/567759998.db2.gz NEDWOEBSDIAEHR-UHFFFAOYSA-N -1 3 399.255 3.328 20 0 GGADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2O1 ZINC000443466725 567760170 /nfs/dbraw/zinc/76/01/70/567760170.db2.gz PXBGKPZZFYIJCZ-MRXNPFEDSA-N -1 3 381.837 3.007 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1)C(C)C ZINC000647125931 567761774 /nfs/dbraw/zinc/76/17/74/567761774.db2.gz IPAQKHNTJOOPEG-OAHLLOKOSA-N -1 3 382.507 3.413 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1C1CCC1 ZINC000555010383 567762992 /nfs/dbraw/zinc/76/29/92/567762992.db2.gz NUYQRZFKQRUCJW-OAHLLOKOSA-N -1 3 391.320 3.063 20 0 GGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000574193227 567763086 /nfs/dbraw/zinc/76/30/86/567763086.db2.gz JDEVISPOPIIMGZ-CQSZACIVSA-N -1 3 378.252 3.286 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N(C1CC1)C1CCCCC1 ZINC000624141828 567763204 /nfs/dbraw/zinc/76/32/04/567763204.db2.gz RTGXLLAZPWDFRF-UHFFFAOYSA-N -1 3 376.931 3.004 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)CCCC1 ZINC000574208704 567763774 /nfs/dbraw/zinc/76/37/74/567763774.db2.gz HSSXPOHEKOBWBA-UHFFFAOYSA-N -1 3 381.372 3.060 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1)C(C)C ZINC000647133379 567764690 /nfs/dbraw/zinc/76/46/90/567764690.db2.gz CRFVZTXIBMPNGV-QGZVFWFLSA-N -1 3 376.469 3.368 20 0 GGADHM [O-]c1c(Br)cc(-c2nc([C@@H]3CCCN3)no2)cc1Br ZINC000647145774 567764713 /nfs/dbraw/zinc/76/47/13/567764713.db2.gz DSJJJESMPQRBCX-VIFPVBQESA-N -1 3 389.047 3.392 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCCn2ccnc21 ZINC000533331106 567765064 /nfs/dbraw/zinc/76/50/64/567765064.db2.gz XYQSOHSJXZAURI-LBPRGKRZSA-N -1 3 379.869 3.447 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1ccc(C(F)(F)F)s1 ZINC000462066205 567765211 /nfs/dbraw/zinc/76/52/11/567765211.db2.gz GXWIYIJMTJEOOD-VIFPVBQESA-N -1 3 399.843 3.475 20 0 GGADHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000462074214 567765942 /nfs/dbraw/zinc/76/59/42/567765942.db2.gz KXIIZHVOOHPKMG-SNVBAGLBSA-N -1 3 393.408 3.058 20 0 GGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)nc12 ZINC000462071003 567766128 /nfs/dbraw/zinc/76/61/28/567766128.db2.gz MLDGRGAHDDOBLB-UHFFFAOYSA-N -1 3 375.397 3.202 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)Nc1ccccc1 ZINC000508774394 567766681 /nfs/dbraw/zinc/76/66/81/567766681.db2.gz MTAJCDWYJDSQED-UHFFFAOYSA-N -1 3 392.786 3.276 20 0 GGADHM COc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c([O-])c1 ZINC000443557791 567767074 /nfs/dbraw/zinc/76/70/74/567767074.db2.gz IVWNMXOVXUOTMG-OAHLLOKOSA-N -1 3 378.837 3.496 20 0 GGADHM CC(C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)C(F)(F)F ZINC000443575621 567767159 /nfs/dbraw/zinc/76/71/59/567767159.db2.gz AKIJDONIDDSKFW-QMMMGPOBSA-N -1 3 379.385 3.081 20 0 GGADHM COc1ccc(NC(=O)COc2ccc(I)cc2)c([O-])c1 ZINC000443568923 567767164 /nfs/dbraw/zinc/76/71/64/567767164.db2.gz SOJBOZXQKWVMPI-UHFFFAOYSA-N -1 3 399.184 3.023 20 0 GGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462079090 567767232 /nfs/dbraw/zinc/76/72/32/567767232.db2.gz CREZVOJLDOYEQQ-GFCCVEGCSA-N -1 3 379.425 3.341 20 0 GGADHM COCCOCCCC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000624207362 567768388 /nfs/dbraw/zinc/76/83/88/567768388.db2.gz XWTXAZPGKZQIBW-UHFFFAOYSA-N -1 3 384.325 3.332 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)N1CCCCC1 ZINC000508836915 567769128 /nfs/dbraw/zinc/76/91/28/567769128.db2.gz FOIDRPIKSYYGHJ-SNVBAGLBSA-N -1 3 398.834 3.038 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCOc2ccc(F)cc2C1 ZINC000508843230 567769357 /nfs/dbraw/zinc/76/93/57/567769357.db2.gz SOIYERCKKZUUSY-UHFFFAOYSA-N -1 3 380.213 3.258 20 0 GGADHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508860443 567770037 /nfs/dbraw/zinc/77/00/37/567770037.db2.gz OIXREWDTEDQYEM-GFCCVEGCSA-N -1 3 393.818 3.448 20 0 GGADHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508860444 567770565 /nfs/dbraw/zinc/77/05/65/567770565.db2.gz OIXREWDTEDQYEM-LBPRGKRZSA-N -1 3 393.818 3.448 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CCCC1 ZINC000443705830 567771238 /nfs/dbraw/zinc/77/12/38/567771238.db2.gz IUYOFBWWMKFASN-UHFFFAOYSA-N -1 3 385.791 3.123 20 0 GGADHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462095457 567771351 /nfs/dbraw/zinc/77/13/51/567771351.db2.gz VMVPKYULGJDCEQ-UHFFFAOYSA-N -1 3 392.424 3.246 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Cl)cn1)c1ccc(C(F)(F)F)s1 ZINC000462097501 567771422 /nfs/dbraw/zinc/77/14/22/567771422.db2.gz LMVGMOMXILILHA-UHFFFAOYSA-N -1 3 386.804 3.173 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)Nc1ccccc1 ZINC000462100625 567771524 /nfs/dbraw/zinc/77/15/24/567771524.db2.gz GKSJTTMPJYXFIH-VIFPVBQESA-N -1 3 378.397 3.072 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)Cn1cccn1 ZINC000508874506 567771804 /nfs/dbraw/zinc/77/18/04/567771804.db2.gz OQVMNHNVBYEZQO-SNVBAGLBSA-N -1 3 381.807 3.170 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c[nH]c1=O ZINC000555136234 567772060 /nfs/dbraw/zinc/77/20/60/567772060.db2.gz DZJCPHWVUFFTQF-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c1 ZINC000574322252 567772363 /nfs/dbraw/zinc/77/23/63/567772363.db2.gz LQVHMQDINJVLQK-GFCCVEGCSA-N -1 3 389.857 3.293 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)OC ZINC000443708514 567772697 /nfs/dbraw/zinc/77/26/97/567772697.db2.gz OACZZYVVMQKEIN-ZDUSSCGKSA-N -1 3 398.706 3.113 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1F ZINC000462102363 567772768 /nfs/dbraw/zinc/77/27/68/567772768.db2.gz MVGONFHYRXSNRV-UHFFFAOYSA-N -1 3 383.388 3.436 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C ZINC000443753050 567773377 /nfs/dbraw/zinc/77/33/77/567773377.db2.gz DEZRMUZEJJEEOQ-QMMMGPOBSA-N -1 3 398.706 3.111 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)C2CC2)s1 ZINC000574351971 567773465 /nfs/dbraw/zinc/77/34/65/567773465.db2.gz MHDJAQBGAXAKBH-KRWDZBQOSA-N -1 3 376.503 3.400 20 0 GGADHM COc1ccc(CN[C@H]2COc3cc(F)ccc3C2)c(Br)c1[O-] ZINC000574339600 567773488 /nfs/dbraw/zinc/77/34/88/567773488.db2.gz KGGJRENHMXUHNF-CYBMUJFWSA-N -1 3 382.229 3.396 20 0 GGADHM COc1ccc(CN[C@@H]2COc3cc(F)ccc3C2)c(Br)c1[O-] ZINC000574339602 567773530 /nfs/dbraw/zinc/77/35/30/567773530.db2.gz KGGJRENHMXUHNF-ZDUSSCGKSA-N -1 3 382.229 3.396 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)C2CC2)s1 ZINC000574351972 567773709 /nfs/dbraw/zinc/77/37/09/567773709.db2.gz MHDJAQBGAXAKBH-QGZVFWFLSA-N -1 3 376.503 3.400 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCOc3ccc(Br)cc3C2)c1 ZINC000555203063 567774027 /nfs/dbraw/zinc/77/40/27/567774027.db2.gz YGNTXFSKGUUJCS-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443744144 567773970 /nfs/dbraw/zinc/77/39/70/567773970.db2.gz KXEOKFAQRYARJA-ZDUSSCGKSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443756209 567774572 /nfs/dbraw/zinc/77/45/72/567774572.db2.gz JRJUNLCCTBPGDD-JTQLQIEISA-N -1 3 389.702 3.407 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443753960 567774776 /nfs/dbraw/zinc/77/47/76/567774776.db2.gz JNLOAUXPWQEIGS-VHSXEESVSA-N -1 3 384.723 3.178 20 0 GGADHM CCC(CC)(CC)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000555210880 567774945 /nfs/dbraw/zinc/77/49/45/567774945.db2.gz HBNWEADXUAKPIV-UHFFFAOYSA-N -1 3 393.912 3.025 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C)(C)C ZINC000443760864 567774971 /nfs/dbraw/zinc/77/49/71/567774971.db2.gz RIQQSIGSTGIRLB-MRVPVSSYSA-N -1 3 387.807 3.367 20 0 GGADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000443754827 567775006 /nfs/dbraw/zinc/77/50/06/567775006.db2.gz YABDIEDIEVUFTL-ZDUSSCGKSA-N -1 3 383.491 3.224 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1ccc(C(F)(F)F)cc1Cl ZINC000443761228 567775096 /nfs/dbraw/zinc/77/50/96/567775096.db2.gz STKLFFYTZUTTLD-NSHDSACASA-N -1 3 379.791 3.438 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000533552010 567775488 /nfs/dbraw/zinc/77/54/88/567775488.db2.gz KVACVGBGDCIIMV-LBPRGKRZSA-N -1 3 376.261 3.014 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000533555083 567775784 /nfs/dbraw/zinc/77/57/84/567775784.db2.gz ZSGLLZFVLQKMKS-UHFFFAOYSA-N -1 3 383.466 3.031 20 0 GGADHM CS(=O)(=O)c1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1Cl ZINC000574381351 567775824 /nfs/dbraw/zinc/77/58/24/567775824.db2.gz AECXFTTXEOYQGC-DZGCQCFKSA-N -1 3 385.894 3.041 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000533553536 567775841 /nfs/dbraw/zinc/77/58/41/567775841.db2.gz ILQHXTJBLGPELI-CYBMUJFWSA-N -1 3 390.288 3.322 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790789 567776005 /nfs/dbraw/zinc/77/60/05/567776005.db2.gz PLISJRDCRSYZAU-NXEZZACHSA-N -1 3 393.734 3.006 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000443786395 567776140 /nfs/dbraw/zinc/77/61/40/567776140.db2.gz VXMGBWYHDHBZGK-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1ccc(Br)c(Cl)c1 ZINC000443775007 567776216 /nfs/dbraw/zinc/77/62/16/567776216.db2.gz TWJYHUPWYMRMHS-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccncc1Br ZINC000647270855 567776551 /nfs/dbraw/zinc/77/65/51/567776551.db2.gz QDWFTRPRNXPOPQ-UHFFFAOYSA-N -1 3 399.310 3.373 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000533579622 567776594 /nfs/dbraw/zinc/77/65/94/567776594.db2.gz LNCCXEYIDBEZDB-KBPBESRZSA-N -1 3 384.299 3.061 20 0 GGADHM C[C@@H]1CCCN(C(=O)C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)C1 ZINC000555276229 567777350 /nfs/dbraw/zinc/77/73/50/567777350.db2.gz GZFOKAHTOOPQOV-SNVBAGLBSA-N -1 3 381.263 3.002 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ncccn1 ZINC000647277191 567778078 /nfs/dbraw/zinc/77/80/78/567778078.db2.gz KWTQPNMVDYDEMQ-UHFFFAOYSA-N -1 3 395.790 3.242 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000443872894 567778209 /nfs/dbraw/zinc/77/82/09/567778209.db2.gz DOBSRADAJKAUMM-UHFFFAOYSA-N -1 3 379.467 3.039 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1cncc(Cl)c1 ZINC000533632558 567778447 /nfs/dbraw/zinc/77/84/47/567778447.db2.gz LNRGLBAOFRGLHJ-UHFFFAOYSA-N -1 3 380.775 3.155 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)o1 ZINC000533633549 567778507 /nfs/dbraw/zinc/77/85/07/567778507.db2.gz OSGZCKFNRUCDAD-GHMZBOCLSA-N -1 3 383.388 3.022 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1cccc(C)c1C ZINC000443906259 567779278 /nfs/dbraw/zinc/77/92/78/567779278.db2.gz WWDFOBSQWIPCIK-KRWDZBQOSA-N -1 3 381.519 3.131 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(F)cc1F ZINC000555319653 567779305 /nfs/dbraw/zinc/77/93/05/567779305.db2.gz WRZKAMMEKKRTBW-NSHDSACASA-N -1 3 383.342 3.147 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1cccs1)c1cccc(C)c1C ZINC000443906267 567779460 /nfs/dbraw/zinc/77/94/60/567779460.db2.gz WWDFOBSQWIPCIK-QGZVFWFLSA-N -1 3 381.519 3.131 20 0 GGADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000533634861 567779567 /nfs/dbraw/zinc/77/95/67/567779567.db2.gz UZBSLLGTDYJKDO-CYBMUJFWSA-N -1 3 383.491 3.224 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2O[C@@H]1C ZINC000574479926 567779641 /nfs/dbraw/zinc/77/96/41/567779641.db2.gz AABQSDKMNNEOGF-HWPZZCPQSA-N -1 3 398.278 3.258 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(Br)c2)s1 ZINC000533634657 567779919 /nfs/dbraw/zinc/77/99/19/567779919.db2.gz IYPDPBFEPUWRLG-VIFPVBQESA-N -1 3 375.313 3.124 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000555377638 567780814 /nfs/dbraw/zinc/78/08/14/567780814.db2.gz WXPGZAKAXZVESZ-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCC1 ZINC000555378314 567781045 /nfs/dbraw/zinc/78/10/45/567781045.db2.gz LNFIJPFOYUGSGK-UHFFFAOYSA-N -1 3 382.309 3.487 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2O[C@H]1C ZINC000574479928 567781099 /nfs/dbraw/zinc/78/10/99/567781099.db2.gz AABQSDKMNNEOGF-QFYYESIMSA-N -1 3 398.278 3.258 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc1 ZINC000443937372 567781244 /nfs/dbraw/zinc/78/12/44/567781244.db2.gz RWFMXKXZXSSLFS-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-][C@@H]([C@@H](C)CC)C(F)(F)F)cc1 ZINC000443942112 567781317 /nfs/dbraw/zinc/78/13/17/567781317.db2.gz MIPNSIOQYCAMNZ-WFASDCNBSA-N -1 3 383.432 3.357 20 0 GGADHM COC1(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000555377371 567781396 /nfs/dbraw/zinc/78/13/96/567781396.db2.gz QDCRVTDQHRHOOI-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)nc1 ZINC000443944973 567781533 /nfs/dbraw/zinc/78/15/33/567781533.db2.gz QKKYFEWZDTYWQI-UHFFFAOYSA-N -1 3 395.893 3.346 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F)cc1 ZINC000443942110 567781592 /nfs/dbraw/zinc/78/15/92/567781592.db2.gz MIPNSIOQYCAMNZ-IUODEOHRSA-N -1 3 383.432 3.357 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000574503711 567781648 /nfs/dbraw/zinc/78/16/48/567781648.db2.gz IDATXSUVMFDMLM-SNVBAGLBSA-N -1 3 381.295 3.258 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000555405048 567781970 /nfs/dbraw/zinc/78/19/70/567781970.db2.gz DWTZAZJKPBXIPD-SNVBAGLBSA-N -1 3 380.470 3.124 20 0 GGADHM C[C@@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000647368072 567782192 /nfs/dbraw/zinc/78/21/92/567782192.db2.gz RVJNAIYJEAFTQG-WBMJQRKESA-N -1 3 390.281 3.449 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C(C)C)CC2)c(Br)c1 ZINC000555414306 567782998 /nfs/dbraw/zinc/78/29/98/567782998.db2.gz LGIFTNAMJIXEMQ-UHFFFAOYSA-N -1 3 390.299 3.093 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1c(Cl)ccc2ccccc21 ZINC000533696733 567783119 /nfs/dbraw/zinc/78/31/19/567783119.db2.gz XJZPPYBIJYIROZ-ZDUSSCGKSA-N -1 3 379.865 3.216 20 0 GGADHM CC(C)CSCCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000533697973 567783235 /nfs/dbraw/zinc/78/32/35/567783235.db2.gz AFCCOBYYVUJOSA-UHFFFAOYSA-N -1 3 390.958 3.282 20 0 GGADHM Cn1cc(Br)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000574518514 567783383 /nfs/dbraw/zinc/78/33/83/567783383.db2.gz LMVJLOALTHYYMP-UHFFFAOYSA-N -1 3 398.204 3.143 20 0 GGADHM O=S(=O)([N-]CCc1cnc(SC2CCCC2)nc1)c1ccccc1F ZINC000555429041 567783732 /nfs/dbraw/zinc/78/37/32/567783732.db2.gz IKFGENVMZAQKMI-UHFFFAOYSA-N -1 3 381.498 3.171 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2cnc(SC3CCCC3)nc2)s1 ZINC000555429421 567784375 /nfs/dbraw/zinc/78/43/75/567784375.db2.gz PVYQTAWOTNLQME-UHFFFAOYSA-N -1 3 398.579 3.106 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cc1Cl ZINC000555454877 567784878 /nfs/dbraw/zinc/78/48/78/567784878.db2.gz XRFUQWRPZRBGMP-ZJUUUORDSA-N -1 3 386.670 3.280 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cn1 ZINC000555459446 567785161 /nfs/dbraw/zinc/78/51/61/567785161.db2.gz ROKDAQFBURIOTN-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1c(Cl)cccc1Cl ZINC000555455925 567785317 /nfs/dbraw/zinc/78/53/17/567785317.db2.gz VHODHYFGRQTILO-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000444029565 567785613 /nfs/dbraw/zinc/78/56/13/567785613.db2.gz IWCBPNXGJJPSHF-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM Fc1cc(Br)ccc1OCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000555473635 567785870 /nfs/dbraw/zinc/78/58/70/567785870.db2.gz ZNGMCUDAUMABMV-UHFFFAOYSA-N -1 3 390.172 3.489 20 0 GGADHM Ic1cccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000555473301 567786273 /nfs/dbraw/zinc/78/62/73/567786273.db2.gz CSXBAPYKHSWEFL-UHFFFAOYSA-N -1 3 389.156 3.280 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1CC ZINC000533786231 567787228 /nfs/dbraw/zinc/78/72/28/567787228.db2.gz HWRPGGBRSYJPIO-UHFFFAOYSA-N -1 3 381.519 3.157 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)c(OC)cc1Br ZINC000444059896 567787888 /nfs/dbraw/zinc/78/78/88/567787888.db2.gz SYZMMODLNWTOSM-WDEREUQCSA-N -1 3 392.315 3.323 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000444063519 567788215 /nfs/dbraw/zinc/78/82/15/567788215.db2.gz DSWMAEISUFUXEM-HNNXBMFYSA-N -1 3 385.942 3.220 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444068217 567788710 /nfs/dbraw/zinc/78/87/10/567788710.db2.gz FXUIXOOOQCACGC-SNVBAGLBSA-N -1 3 377.359 3.460 20 0 GGADHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000444070628 567788920 /nfs/dbraw/zinc/78/89/20/567788920.db2.gz DISUXKOLKSFDAW-HNNXBMFYSA-N -1 3 379.503 3.381 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1cc(F)cc(Cl)c1 ZINC000555582526 567789860 /nfs/dbraw/zinc/78/98/60/567789860.db2.gz OQMRVWRSAFOCGF-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)c(OC)cc1Br ZINC000444079857 567790930 /nfs/dbraw/zinc/79/09/30/567790930.db2.gz WJTKDZFSJKBVTM-XYPYZODXSA-N -1 3 392.315 3.323 20 0 GGADHM Cc1ccsc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000574680688 567791087 /nfs/dbraw/zinc/79/10/87/567791087.db2.gz GEAFWAIXKDUZQP-UHFFFAOYSA-N -1 3 379.438 3.353 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)c(OC)cc1Br ZINC000444090271 567791890 /nfs/dbraw/zinc/79/18/90/567791890.db2.gz MMCSNPARNXYLFU-AWEZNQCLSA-N -1 3 392.315 3.323 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1ccc(C(F)(F)F)cc1F ZINC000444089323 567791938 /nfs/dbraw/zinc/79/19/38/567791938.db2.gz WXQBUPVEKAPUMB-UHFFFAOYSA-N -1 3 375.343 3.353 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCCC2(C)C)c(OC)cc1Br ZINC000444090272 567792076 /nfs/dbraw/zinc/79/20/76/567792076.db2.gz MMCSNPARNXYLFU-CQSZACIVSA-N -1 3 392.315 3.323 20 0 GGADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444091514 567792085 /nfs/dbraw/zinc/79/20/85/567792085.db2.gz PWQUDCPGHQNKJV-PWSUYJOCSA-N -1 3 392.315 3.323 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1nnc2ccccn21 ZINC000444092778 567792153 /nfs/dbraw/zinc/79/21/53/567792153.db2.gz VNPOEZLHCJNJNN-CYBMUJFWSA-N -1 3 376.507 3.271 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000533914426 567792845 /nfs/dbraw/zinc/79/28/45/567792845.db2.gz KHBJCLPTSRBRFW-LBPRGKRZSA-N -1 3 383.466 3.071 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000533915249 567793862 /nfs/dbraw/zinc/79/38/62/567793862.db2.gz ZZCYLSHLTSYQMQ-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000574741604 567794453 /nfs/dbraw/zinc/79/44/53/567794453.db2.gz CULCAYGHJBOUMT-UHFFFAOYSA-N -1 3 392.706 3.358 20 0 GGADHM CC(C)Cn1nccc1CN[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000647646851 567794790 /nfs/dbraw/zinc/79/47/90/567794790.db2.gz QNRMCIJAELOMJI-INIZCTEOSA-N -1 3 380.286 3.087 20 0 GGADHM CC(C)[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)[C@H](O)C(F)(F)F ZINC000647674919 567795799 /nfs/dbraw/zinc/79/57/99/567795799.db2.gz HDJKWDDFMWBIBW-JQWIXIFHSA-N -1 3 381.807 3.469 20 0 GGADHM COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000533993375 567795879 /nfs/dbraw/zinc/79/58/79/567795879.db2.gz WCOLTDDXTZLGEA-NSHDSACASA-N -1 3 383.853 3.103 20 0 GGADHM CC(C)Cn1nccc1CN[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC000647647020 567796186 /nfs/dbraw/zinc/79/61/86/567796186.db2.gz ZQBXNVFNVDXQNU-MRXNPFEDSA-N -1 3 380.286 3.087 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H](C)CCC2CC2)c(OC)cc1Br ZINC000444211303 567797526 /nfs/dbraw/zinc/79/75/26/567797526.db2.gz JRYHAVCIZSRQFI-SNVBAGLBSA-N -1 3 392.315 3.323 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO[C@@H]1C1CC1 ZINC000444211609 567797608 /nfs/dbraw/zinc/79/76/08/567797608.db2.gz KLNYCKPBOITNCJ-CABCVRRESA-N -1 3 381.391 3.328 20 0 GGADHM C[C@H](NC(=O)c1ccc(Br)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000647704537 567797897 /nfs/dbraw/zinc/79/78/97/567797897.db2.gz KRJRZMDCLQPPAX-IUCAKERBSA-N -1 3 398.282 3.004 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(Cl)c1 ZINC000444225079 567798012 /nfs/dbraw/zinc/79/80/12/567798012.db2.gz PIHDGFDMDXNQOV-NOZJJQNGSA-N -1 3 389.798 3.241 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1F ZINC000444225063 567798058 /nfs/dbraw/zinc/79/80/58/567798058.db2.gz PEPINXACWYVCPH-TVQRCGJNSA-N -1 3 389.798 3.241 20 0 GGADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1F ZINC000444230481 567798277 /nfs/dbraw/zinc/79/82/77/567798277.db2.gz YVJHFOBWEPVJQU-UHFFFAOYSA-N -1 3 379.438 3.074 20 0 GGADHM CS(=O)(=O)Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1F ZINC000444230481 567798283 /nfs/dbraw/zinc/79/82/83/567798283.db2.gz YVJHFOBWEPVJQU-UHFFFAOYSA-N -1 3 379.438 3.074 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C2)c(Br)c1 ZINC000444216520 567798422 /nfs/dbraw/zinc/79/84/22/567798422.db2.gz CMLQBKHHYGMMPN-CMPLNLGQSA-N -1 3 390.299 3.093 20 0 GGADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[nH]cn1 ZINC000444215687 567798470 /nfs/dbraw/zinc/79/84/70/567798470.db2.gz GPKRBJUWVNRXBJ-SNVBAGLBSA-N -1 3 387.305 3.401 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(Cl)c1 ZINC000444225080 567798477 /nfs/dbraw/zinc/79/84/77/567798477.db2.gz PIHDGFDMDXNQOV-RNCFNFMXSA-N -1 3 389.798 3.241 20 0 GGADHM CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@H](O)C1CC1 ZINC000668167175 567799200 /nfs/dbraw/zinc/79/92/00/567799200.db2.gz VUPXAHGMYQOMNI-LBPRGKRZSA-N -1 3 379.092 3.120 20 0 GGADHM Brc1cncc(C2(c3nc(-c4ccc5n[n-]nc5c4)no3)CC2)c1 ZINC000574814779 567799355 /nfs/dbraw/zinc/79/93/55/567799355.db2.gz BUJHXPUUABVHBP-UHFFFAOYSA-N -1 3 383.209 3.245 20 0 GGADHM Brc1ccn2cc(-c3nc(-c4ccc5n[n-]nc5c4)no3)nc2c1 ZINC000574814966 567799415 /nfs/dbraw/zinc/79/94/15/567799415.db2.gz YQACKLQNLDZUHZ-UHFFFAOYSA-N -1 3 382.181 3.085 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)c([O-])c1 ZINC000534091899 567799740 /nfs/dbraw/zinc/79/97/40/567799740.db2.gz WCFWMFJULXLRLX-UHFFFAOYSA-N -1 3 394.221 3.349 20 0 GGADHM Cc1c(Cl)cc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000647743378 567800112 /nfs/dbraw/zinc/80/01/12/567800112.db2.gz OOGZHYXZSCXSIL-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)s2)nc1C ZINC000444275806 567800298 /nfs/dbraw/zinc/80/02/98/567800298.db2.gz FBIHWRPTWYPUQS-QMMMGPOBSA-N -1 3 378.317 3.075 20 0 GGADHM Cn1cc(Br)cc1C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000647772287 567800795 /nfs/dbraw/zinc/80/07/95/567800795.db2.gz OKFJYIPCODVHRX-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM Cn1cc(Br)cc1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000647772287 567800797 /nfs/dbraw/zinc/80/07/97/567800797.db2.gz OKFJYIPCODVHRX-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM Cn1cc(Br)cc1C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000647772287 567800799 /nfs/dbraw/zinc/80/07/99/567800799.db2.gz OKFJYIPCODVHRX-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)n1 ZINC000624829485 567801745 /nfs/dbraw/zinc/80/17/45/567801745.db2.gz MVWOFHIGMVFDHO-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM Cc1c(Br)cccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000534178465 567801990 /nfs/dbraw/zinc/80/19/90/567801990.db2.gz XXLKYVGRGBSGKO-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM COC(=O)c1cc(CN(C)C(=O)c2cc([O-])cc(Br)c2)oc1C ZINC000598985940 567802335 /nfs/dbraw/zinc/80/23/35/567802335.db2.gz AJGBWXGOCQRLRM-UHFFFAOYSA-N -1 3 382.210 3.115 20 0 GGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891198 567802764 /nfs/dbraw/zinc/80/27/64/567802764.db2.gz MJYHTRAQVWDADY-SFYZADRCSA-N -1 3 382.433 3.438 20 0 GGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC2(CCC2(F)F)C1 ZINC000574891039 567802836 /nfs/dbraw/zinc/80/28/36/567802836.db2.gz IQTDFSWPGQLPPC-UHFFFAOYSA-N -1 3 383.192 3.162 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(Cl)c1 ZINC000534208057 567802899 /nfs/dbraw/zinc/80/28/99/567802899.db2.gz AIQRPYGJIVLAFL-UHFFFAOYSA-N -1 3 381.866 3.110 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cl)cc(F)c1Br ZINC000574908821 567804278 /nfs/dbraw/zinc/80/42/78/567804278.db2.gz JEHZNAQFYMHUMD-LLVKDONJSA-N -1 3 388.624 3.490 20 0 GGADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000668268891 567804798 /nfs/dbraw/zinc/80/47/98/567804798.db2.gz OGKJUAKAEAMWIS-QWRGUYRKSA-N -1 3 380.329 3.055 20 0 GGADHM C[C@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCC1=O ZINC000534276028 567805396 /nfs/dbraw/zinc/80/53/96/567805396.db2.gz AJOAADNVFWNJFR-IUCAKERBSA-N -1 3 395.232 3.317 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000444514567 567806594 /nfs/dbraw/zinc/80/65/94/567806594.db2.gz MVZXFCVBERJEMD-ABAIWWIYSA-N -1 3 376.906 3.030 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CS[C@@H](C)C1 ZINC000668305924 567806714 /nfs/dbraw/zinc/80/67/14/567806714.db2.gz BXSJQJHLUPYGFV-GXSJLCMTSA-N -1 3 380.329 3.020 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000647922886 567806836 /nfs/dbraw/zinc/80/68/36/567806836.db2.gz PVQVTUNATMJCCG-UONOGXRCSA-N -1 3 385.536 3.389 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000534301469 567806881 /nfs/dbraw/zinc/80/68/81/567806881.db2.gz QMWORDPJQLYRAG-SNVBAGLBSA-N -1 3 394.269 3.475 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000534301469 567806883 /nfs/dbraw/zinc/80/68/83/567806883.db2.gz QMWORDPJQLYRAG-SNVBAGLBSA-N -1 3 394.269 3.475 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3c(O)cccc3Cl)cc2C[C@H]1C ZINC000647919680 567806978 /nfs/dbraw/zinc/80/69/78/567806978.db2.gz LRWOXEBVLVHOAD-SNVBAGLBSA-N -1 3 380.853 3.144 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1=Cc2cc(Br)ccc2OC1 ZINC000668326458 567806989 /nfs/dbraw/zinc/80/69/89/567806989.db2.gz NTRYBMNNCYSLGK-UHFFFAOYSA-N -1 3 398.220 3.044 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1=Cc2cc(Br)ccc2OC1 ZINC000668326458 567806991 /nfs/dbraw/zinc/80/69/91/567806991.db2.gz NTRYBMNNCYSLGK-UHFFFAOYSA-N -1 3 398.220 3.044 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000647921383 567807126 /nfs/dbraw/zinc/80/71/26/567807126.db2.gz WWGDCERWNZYCQB-XJKSGUPXSA-N -1 3 375.874 3.201 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575003067 567807683 /nfs/dbraw/zinc/80/76/83/567807683.db2.gz CDACWPRMHUPBCY-VXGBXAGGSA-N -1 3 391.320 3.205 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)c(F)c1 ZINC000575022420 567808864 /nfs/dbraw/zinc/80/88/64/567808864.db2.gz VLACZNMBYAGNCG-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCCSCC(C)C ZINC000534406254 567810901 /nfs/dbraw/zinc/81/09/01/567810901.db2.gz ONPFOVPRURSUBO-UHFFFAOYSA-N -1 3 379.931 3.184 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)N1CCc2sccc2C1 ZINC000534422778 567811313 /nfs/dbraw/zinc/81/13/13/567811313.db2.gz SGJCUYHKFDQPEX-NSHDSACASA-N -1 3 388.917 3.266 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1O ZINC000534603385 567814922 /nfs/dbraw/zinc/81/49/22/567814922.db2.gz JESNRRMLUSHHQF-RDJZCZTQSA-N -1 3 377.849 3.331 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)cc1Cl ZINC000534682038 567815997 /nfs/dbraw/zinc/81/59/97/567815997.db2.gz CAPATWVPHSPPTF-UHFFFAOYSA-N -1 3 378.841 3.284 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)cc1Cl ZINC000534682038 567815998 /nfs/dbraw/zinc/81/59/98/567815998.db2.gz CAPATWVPHSPPTF-UHFFFAOYSA-N -1 3 378.841 3.284 20 0 GGADHM COc1ccc2oc([C@H](C)NC(=O)c3nnc4ccccc4c3[O-])c(C)c2c1 ZINC000111614601 570218490 /nfs/dbraw/zinc/21/84/90/570218490.db2.gz VTUMJWRTGMVLFY-LBPRGKRZSA-N -1 3 377.400 3.477 20 0 GGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC([C@H](O)c3ccccc3)CC1)c2=O ZINC000048252759 570226818 /nfs/dbraw/zinc/22/68/18/570226818.db2.gz GKJGHPSTGKOLFH-OAQYLSRUSA-N -1 3 392.455 3.123 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC ZINC000012814656 570230598 /nfs/dbraw/zinc/23/05/98/570230598.db2.gz XKYOIQMMGATFKO-UHFFFAOYSA-N -1 3 397.836 3.139 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2)CC1 ZINC000236614344 570246957 /nfs/dbraw/zinc/24/69/57/570246957.db2.gz ZWJBOZYSDQJIEJ-UHFFFAOYSA-N -1 3 381.476 3.096 20 0 GGADHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000048367715 570247248 /nfs/dbraw/zinc/24/72/48/570247248.db2.gz BQKXWRYTGWRJQL-UHFFFAOYSA-N -1 3 392.443 3.021 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1(C)C ZINC000012888813 570285485 /nfs/dbraw/zinc/28/54/85/570285485.db2.gz NOPGLBOHBMACQZ-NVXWUHKLSA-N -1 3 396.578 3.256 20 0 GGADHM CC(C)[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(F)cc1 ZINC000012893500 570286134 /nfs/dbraw/zinc/28/61/34/570286134.db2.gz BDSZSNMKCVSCKK-IBGZPJMESA-N -1 3 383.423 3.145 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c(=O)[n-]1 ZINC000012893736 570286262 /nfs/dbraw/zinc/28/62/62/570286262.db2.gz XUBVYBQMRVJRBJ-UHFFFAOYSA-N -1 3 390.415 3.360 20 0 GGADHM O=C(Nc1ccccc1[O-])c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000012892474 570286570 /nfs/dbraw/zinc/28/65/70/570286570.db2.gz JBQAXEJSNMTERH-UHFFFAOYSA-N -1 3 388.470 3.185 20 0 GGADHM O=C(COc1cccc(Cl)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012948414 570317826 /nfs/dbraw/zinc/31/78/26/570317826.db2.gz FRZOOMOOOJQLQH-UHFFFAOYSA-N -1 3 388.851 3.302 20 0 GGADHM Cc1ccccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000013016528 570418556 /nfs/dbraw/zinc/41/85/56/570418556.db2.gz FXVGHGMRINXZOO-INIZCTEOSA-N -1 3 381.476 3.378 20 0 GGADHM Cc1[nH]nc2nc(C)cc(C(=O)[N-]c3nnc(Cc4cccc(F)c4)s3)c12 ZINC000072270522 570435237 /nfs/dbraw/zinc/43/52/37/570435237.db2.gz HFPLVWWVOCOHKN-UHFFFAOYSA-N -1 3 382.424 3.408 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000008746178 570539874 /nfs/dbraw/zinc/53/98/74/570539874.db2.gz ZSUUDNSVQUUJMN-INIZCTEOSA-N -1 3 397.834 3.420 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(-c2cccnc2)no1 ZINC000058247128 570723200 /nfs/dbraw/zinc/72/32/00/570723200.db2.gz SBLPXCPLRJEINX-GOSISDBHSA-N -1 3 398.488 3.296 20 0 GGADHM CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012992182 570738452 /nfs/dbraw/zinc/73/84/52/570738452.db2.gz OVMMETNGYJTDSL-UHFFFAOYSA-N -1 3 396.394 3.486 20 0 GGADHM CCc1cc2c(CSc3nnnn3-c3ccc(O)cc3)cc(=O)oc2cc1[O-] ZINC000036819059 570817777 /nfs/dbraw/zinc/81/77/77/570817777.db2.gz MLQRICVWCCDXKO-UHFFFAOYSA-N -1 3 396.428 3.035 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncccc3O)ccc2C)c1 ZINC000012535999 570835640 /nfs/dbraw/zinc/83/56/40/570835640.db2.gz LJNHEOOTVFZCDO-UHFFFAOYSA-N -1 3 397.456 3.457 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1nc(C(C)(C)C)no1 ZINC000170600272 570858272 /nfs/dbraw/zinc/85/82/72/570858272.db2.gz SDBRSCUBLXXUFQ-MRVPVSSYSA-N -1 3 376.363 3.390 20 0 GGADHM O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)[N-]c1cccnc1-n1cccn1 ZINC000170609249 570865396 /nfs/dbraw/zinc/86/53/96/570865396.db2.gz FQIXNGIPSNYACF-UHFFFAOYSA-N -1 3 398.366 3.108 20 0 GGADHM CC(=O)c1ccccc1OCCN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015045352 570873593 /nfs/dbraw/zinc/87/35/93/570873593.db2.gz ZOSQDCLVNJEQFS-UHFFFAOYSA-N -1 3 382.460 3.324 20 0 GGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000012604589 570887833 /nfs/dbraw/zinc/88/78/33/570887833.db2.gz GGESVVHPXKIYBK-UHFFFAOYSA-N -1 3 394.518 3.151 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ccncc1 ZINC000012607014 570889183 /nfs/dbraw/zinc/88/91/83/570889183.db2.gz VGAWJYOHQCDOPC-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065769848 570946247 /nfs/dbraw/zinc/94/62/47/570946247.db2.gz YZEGUXVWLLIWPG-GOSISDBHSA-N -1 3 379.416 3.338 20 0 GGADHM O=C(NCCNC(=O)c1ccccc1Oc1ccccc1)c1ccc([O-])cc1 ZINC000047552693 570963814 /nfs/dbraw/zinc/96/38/14/570963814.db2.gz MECVSGFWQOIRAM-UHFFFAOYSA-N -1 3 376.412 3.344 20 0 GGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCCCC1 ZINC000083855650 570972309 /nfs/dbraw/zinc/97/23/09/570972309.db2.gz NTHSRMGPGABZDP-UHFFFAOYSA-N -1 3 382.501 3.451 20 0 GGADHM CCCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012736893 570979392 /nfs/dbraw/zinc/97/93/92/570979392.db2.gz OORSXAAOKUDSHC-UHFFFAOYSA-N -1 3 396.516 3.324 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)cc(C(=O)OC)c1 ZINC000084171762 571005728 /nfs/dbraw/zinc/00/57/28/571005728.db2.gz NFYMPGXRPASEPU-UHFFFAOYSA-N -1 3 394.383 3.476 20 0 GGADHM Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)ccc4[O-])CC3)n2)cc1 ZINC000012757807 571007618 /nfs/dbraw/zinc/00/76/18/571007618.db2.gz OWRZZLZTPYPPHT-UHFFFAOYSA-N -1 3 392.459 3.017 20 0 GGADHM Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c([O-])c1 ZINC000012779244 571032588 /nfs/dbraw/zinc/03/25/88/571032588.db2.gz KFZDIGYSLFKNMK-UHFFFAOYSA-N -1 3 383.473 3.380 20 0 GGADHM CCCc1ccc(C(=O)Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736496863 598825248 /nfs/dbraw/zinc/82/52/48/598825248.db2.gz JXDINSMAURPZTJ-UHFFFAOYSA-N -1 3 387.447 3.269 20 0 GGADHM CCCc1ccc(C(=O)Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736496863 598825249 /nfs/dbraw/zinc/82/52/49/598825249.db2.gz JXDINSMAURPZTJ-UHFFFAOYSA-N -1 3 387.447 3.269 20 0 GGADHM CCC[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736423126 598825350 /nfs/dbraw/zinc/82/53/50/598825350.db2.gz RWJFHLFDHSEQEA-INIZCTEOSA-N -1 3 385.516 3.177 20 0 GGADHM CCC[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736423126 598825352 /nfs/dbraw/zinc/82/53/52/598825352.db2.gz RWJFHLFDHSEQEA-INIZCTEOSA-N -1 3 385.516 3.177 20 0 GGADHM CCc1csc([C@@H]2CCCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC000736701347 598825396 /nfs/dbraw/zinc/82/53/96/598825396.db2.gz ACPZYSXJIJQQMA-BOLDSZDNSA-N -1 3 394.504 3.305 20 0 GGADHM CCc1csc([C@@H]2CCCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC000736701347 598825398 /nfs/dbraw/zinc/82/53/98/598825398.db2.gz ACPZYSXJIJQQMA-BOLDSZDNSA-N -1 3 394.504 3.305 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(OC(C)C)c1 ZINC000737525592 598827475 /nfs/dbraw/zinc/82/74/75/598827475.db2.gz UEFZWFBCLQFNMG-UHFFFAOYSA-N -1 3 375.436 3.269 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(OC(C)C)c1 ZINC000737525592 598827476 /nfs/dbraw/zinc/82/74/76/598827476.db2.gz UEFZWFBCLQFNMG-UHFFFAOYSA-N -1 3 375.436 3.269 20 0 GGADHM COc1ccc(Cl)cc1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000737098932 598827898 /nfs/dbraw/zinc/82/78/98/598827898.db2.gz IMQLQYWURYDMLH-UHFFFAOYSA-N -1 3 381.827 3.144 20 0 GGADHM COc1ccc(Cl)cc1Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000737098932 598827899 /nfs/dbraw/zinc/82/78/99/598827899.db2.gz IMQLQYWURYDMLH-UHFFFAOYSA-N -1 3 381.827 3.144 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736814236 598831007 /nfs/dbraw/zinc/83/10/07/598831007.db2.gz PDCVUDGHQAZFAC-UHFFFAOYSA-N -1 3 380.839 3.203 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736814236 598831009 /nfs/dbraw/zinc/83/10/09/598831009.db2.gz PDCVUDGHQAZFAC-UHFFFAOYSA-N -1 3 380.839 3.203 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000737551532 598833517 /nfs/dbraw/zinc/83/35/17/598833517.db2.gz IMWUOFZBXIXHNR-OAQYLSRUSA-N -1 3 394.479 3.069 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@@](C)(c3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000737551532 598833519 /nfs/dbraw/zinc/83/35/19/598833519.db2.gz IMWUOFZBXIXHNR-OAQYLSRUSA-N -1 3 394.479 3.069 20 0 GGADHM O=C(C=Cc1cccnc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737798097 598834174 /nfs/dbraw/zinc/83/41/74/598834174.db2.gz GIYHRPIDANASIR-TWGQIWQCSA-N -1 3 388.456 3.320 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC1(c2cccc(F)c2)CC1 ZINC000737833657 598837957 /nfs/dbraw/zinc/83/79/57/598837957.db2.gz ZMZYDHGODLKFSW-UHFFFAOYSA-N -1 3 395.438 3.360 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC1(c2cccc(F)c2)CC1 ZINC000737833657 598837959 /nfs/dbraw/zinc/83/79/59/598837959.db2.gz ZMZYDHGODLKFSW-UHFFFAOYSA-N -1 3 395.438 3.360 20 0 GGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736395345 598838736 /nfs/dbraw/zinc/83/87/36/598838736.db2.gz IRCGMWXDPUIPTH-SFHVURJKSA-N -1 3 396.520 3.495 20 0 GGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736395345 598838738 /nfs/dbraw/zinc/83/87/38/598838738.db2.gz IRCGMWXDPUIPTH-SFHVURJKSA-N -1 3 396.520 3.495 20 0 GGADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737306238 598838841 /nfs/dbraw/zinc/83/88/41/598838841.db2.gz PPZVBEVMLOGXQN-UHFFFAOYSA-N -1 3 388.435 3.132 20 0 GGADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737306238 598838843 /nfs/dbraw/zinc/83/88/43/598838843.db2.gz PPZVBEVMLOGXQN-UHFFFAOYSA-N -1 3 388.435 3.132 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@H](Oc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113592 598839572 /nfs/dbraw/zinc/83/95/72/598839572.db2.gz QHYKLZCPIWEJRN-BEFAXECRSA-N -1 3 392.463 3.181 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@H](Oc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113592 598839575 /nfs/dbraw/zinc/83/95/75/598839575.db2.gz QHYKLZCPIWEJRN-BEFAXECRSA-N -1 3 392.463 3.181 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C=Cc2ccccc2)c1C ZINC000737503223 598840272 /nfs/dbraw/zinc/84/02/72/598840272.db2.gz MVADLDFWHZKKBY-JYRVWZFOSA-N -1 3 385.431 3.321 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H]2CCc3ccccc32)c1C ZINC000737502751 598840337 /nfs/dbraw/zinc/84/03/37/598840337.db2.gz JDVRACUUSZJJIY-IBGZPJMESA-N -1 3 399.458 3.338 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccccc2F)c1C ZINC000737503366 598840387 /nfs/dbraw/zinc/84/03/87/598840387.db2.gz IHXRLMACBXFRSV-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCC(C)(F)F)c1C ZINC000737504291 598840888 /nfs/dbraw/zinc/84/08/88/598840888.db2.gz RPRRRABYNQFPPX-UHFFFAOYSA-N -1 3 375.383 3.043 20 0 GGADHM CC(C)OCCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735904602 598844573 /nfs/dbraw/zinc/84/45/73/598844573.db2.gz RVSLZQSLGSVFQH-UHFFFAOYSA-N -1 3 386.408 3.011 20 0 GGADHM CC[C@@H](Nc1ccccc1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736367961 598844823 /nfs/dbraw/zinc/84/48/23/598844823.db2.gz DVBCVYNLYARPCW-GOSISDBHSA-N -1 3 381.436 3.070 20 0 GGADHM CC1CCN(c2cccc(NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736277735 598847941 /nfs/dbraw/zinc/84/79/41/598847941.db2.gz CDJHJUOYTYFHCH-UHFFFAOYSA-N -1 3 391.479 3.154 20 0 GGADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737975169 598849564 /nfs/dbraw/zinc/84/95/64/598849564.db2.gz LOFJCGHYQSQKRH-UHFFFAOYSA-N -1 3 397.341 3.086 20 0 GGADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737975169 598849566 /nfs/dbraw/zinc/84/95/66/598849566.db2.gz LOFJCGHYQSQKRH-UHFFFAOYSA-N -1 3 397.341 3.086 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000735488344 598850443 /nfs/dbraw/zinc/85/04/43/598850443.db2.gz KMSWFHCHQZKUMF-UHFFFAOYSA-N -1 3 395.423 3.256 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000735488344 598850445 /nfs/dbraw/zinc/85/04/45/598850445.db2.gz KMSWFHCHQZKUMF-UHFFFAOYSA-N -1 3 395.423 3.256 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000736635055 598851034 /nfs/dbraw/zinc/85/10/34/598851034.db2.gz SAZJDHDGLJJFGO-UHFFFAOYSA-N -1 3 395.423 3.176 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000736635055 598851035 /nfs/dbraw/zinc/85/10/35/598851035.db2.gz SAZJDHDGLJJFGO-UHFFFAOYSA-N -1 3 395.423 3.176 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000737064770 598851373 /nfs/dbraw/zinc/85/13/73/598851373.db2.gz YZEQJECGYPEAQB-UHFFFAOYSA-N -1 3 388.815 3.490 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000737064770 598851375 /nfs/dbraw/zinc/85/13/75/598851375.db2.gz YZEQJECGYPEAQB-UHFFFAOYSA-N -1 3 388.815 3.490 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000737290829 598851655 /nfs/dbraw/zinc/85/16/55/598851655.db2.gz GUOXPWXWPZAWLH-KRWDZBQOSA-N -1 3 378.436 3.250 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000737290829 598851657 /nfs/dbraw/zinc/85/16/57/598851657.db2.gz GUOXPWXWPZAWLH-KRWDZBQOSA-N -1 3 378.436 3.250 20 0 GGADHM C[C@@]1(CNC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCOC1 ZINC000736217101 598851947 /nfs/dbraw/zinc/85/19/47/598851947.db2.gz RDXLLUHZMUWEKH-FQEVSTJZSA-N -1 3 394.435 3.207 20 0 GGADHM C[C@@]1(CNC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCOC1 ZINC000736217101 598851948 /nfs/dbraw/zinc/85/19/48/598851948.db2.gz RDXLLUHZMUWEKH-FQEVSTJZSA-N -1 3 394.435 3.207 20 0 GGADHM O=C1[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)CCN1c1ccc(Cl)cc1 ZINC000738296170 598855967 /nfs/dbraw/zinc/85/59/67/598855967.db2.gz KQBJNBOBQUSISR-CQSZACIVSA-N -1 3 390.781 3.016 20 0 GGADHM O=C1[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)CCN1c1ccc(Cl)cc1 ZINC000738296170 598855969 /nfs/dbraw/zinc/85/59/69/598855969.db2.gz KQBJNBOBQUSISR-CQSZACIVSA-N -1 3 390.781 3.016 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1c(F)cccc1Cl ZINC000736901094 598858011 /nfs/dbraw/zinc/85/80/11/598858011.db2.gz IHWCFXPQPOVKTF-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1c(F)cccc1Cl ZINC000736901094 598858013 /nfs/dbraw/zinc/85/80/13/598858013.db2.gz IHWCFXPQPOVKTF-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM COC[C@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736969996 598858687 /nfs/dbraw/zinc/85/86/87/598858687.db2.gz NRHXNEDGTLOCSV-ZDUSSCGKSA-N -1 3 384.461 3.351 20 0 GGADHM COC[C@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736969996 598858689 /nfs/dbraw/zinc/85/86/89/598858689.db2.gz NRHXNEDGTLOCSV-ZDUSSCGKSA-N -1 3 384.461 3.351 20 0 GGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738076969 598864860 /nfs/dbraw/zinc/86/48/60/598864860.db2.gz XYLBGPFOULFCSM-LJQANCHMSA-N -1 3 377.448 3.081 20 0 GGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738076969 598864862 /nfs/dbraw/zinc/86/48/62/598864862.db2.gz XYLBGPFOULFCSM-LJQANCHMSA-N -1 3 377.448 3.081 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895462 598862082 /nfs/dbraw/zinc/86/20/82/598862082.db2.gz JSEDCFONDBXCMN-RBUKOAKNSA-N -1 3 395.438 3.351 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895462 598862084 /nfs/dbraw/zinc/86/20/84/598862084.db2.gz JSEDCFONDBXCMN-RBUKOAKNSA-N -1 3 395.438 3.351 20 0 GGADHM CC(C)(CCCc1ccccc1)CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735664613 598866366 /nfs/dbraw/zinc/86/63/66/598866366.db2.gz LUHXXAMZBUGZBR-UHFFFAOYSA-N -1 3 393.491 3.411 20 0 GGADHM CC(C)(CCCc1ccccc1)CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735664613 598866367 /nfs/dbraw/zinc/86/63/67/598866367.db2.gz LUHXXAMZBUGZBR-UHFFFAOYSA-N -1 3 393.491 3.411 20 0 GGADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738209864 598866756 /nfs/dbraw/zinc/86/67/56/598866756.db2.gz IZPOSNOTSIAXEH-UHFFFAOYSA-N -1 3 377.433 3.003 20 0 GGADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738209864 598866757 /nfs/dbraw/zinc/86/67/57/598866757.db2.gz IZPOSNOTSIAXEH-UHFFFAOYSA-N -1 3 377.433 3.003 20 0 GGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736326233 598867336 /nfs/dbraw/zinc/86/73/36/598867336.db2.gz HMJBWDLXWFDIQB-LLVKDONJSA-N -1 3 376.413 3.287 20 0 GGADHM CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736326233 598867339 /nfs/dbraw/zinc/86/73/39/598867339.db2.gz HMJBWDLXWFDIQB-LLVKDONJSA-N -1 3 376.413 3.287 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000738338777 598867580 /nfs/dbraw/zinc/86/75/80/598867580.db2.gz JDWUEMFIPHYYRO-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000738338777 598867582 /nfs/dbraw/zinc/86/75/82/598867582.db2.gz JDWUEMFIPHYYRO-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM CC(C)C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000735799959 598868099 /nfs/dbraw/zinc/86/80/99/598868099.db2.gz SIKVXFXLYRSEFL-KRWDZBQOSA-N -1 3 375.436 3.260 20 0 GGADHM CC(C)C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC000735799959 598868100 /nfs/dbraw/zinc/86/81/00/598868100.db2.gz SIKVXFXLYRSEFL-KRWDZBQOSA-N -1 3 375.436 3.260 20 0 GGADHM Cc1nnc(NCCCO[C@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737521831 598870011 /nfs/dbraw/zinc/87/00/11/598870011.db2.gz RNWBGYXQKIHMKU-KRWDZBQOSA-N -1 3 379.468 3.170 20 0 GGADHM Cc1nnc(NCCCO[C@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737521831 598870012 /nfs/dbraw/zinc/87/00/12/598870012.db2.gz RNWBGYXQKIHMKU-KRWDZBQOSA-N -1 3 379.468 3.170 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735652887 598876267 /nfs/dbraw/zinc/87/62/67/598876267.db2.gz WVKONVBRGBKKCY-UHFFFAOYSA-N -1 3 380.452 3.365 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735652887 598876268 /nfs/dbraw/zinc/87/62/68/598876268.db2.gz WVKONVBRGBKKCY-UHFFFAOYSA-N -1 3 380.452 3.365 20 0 GGADHM CC(C)CCS(=O)(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735820564 598876798 /nfs/dbraw/zinc/87/67/98/598876798.db2.gz VECXAWSWIUCYFU-UHFFFAOYSA-N -1 3 391.522 3.061 20 0 GGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738076030 598877788 /nfs/dbraw/zinc/87/77/88/598877788.db2.gz PDBZZQTYIWOTOF-LJQANCHMSA-N -1 3 392.463 3.473 20 0 GGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738076030 598877789 /nfs/dbraw/zinc/87/77/89/598877789.db2.gz PDBZZQTYIWOTOF-LJQANCHMSA-N -1 3 392.463 3.473 20 0 GGADHM COC(=O)[C@@H](NC[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894027 598879449 /nfs/dbraw/zinc/87/94/49/598879449.db2.gz FHBUVULPPLOWTH-MOPGFXCFSA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@@H](NC[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894027 598879450 /nfs/dbraw/zinc/87/94/50/598879450.db2.gz FHBUVULPPLOWTH-MOPGFXCFSA-N -1 3 379.464 3.110 20 0 GGADHM CCCCOc1cccc(CN[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736463898 598880942 /nfs/dbraw/zinc/88/09/42/598880942.db2.gz SKGCICBIRCSBBG-IBGZPJMESA-N -1 3 395.463 3.050 20 0 GGADHM CCCCOc1cccc(CN[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736463898 598880945 /nfs/dbraw/zinc/88/09/45/598880945.db2.gz SKGCICBIRCSBBG-IBGZPJMESA-N -1 3 395.463 3.050 20 0 GGADHM COC(=O)[C@H](Nc1cccc(OCC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893754 598881010 /nfs/dbraw/zinc/88/10/10/598881010.db2.gz BLBAYHHUFUHOSK-GOSISDBHSA-N -1 3 381.436 3.228 20 0 GGADHM COC(=O)[C@H](Nc1cccc(OCC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893754 598881012 /nfs/dbraw/zinc/88/10/12/598881012.db2.gz BLBAYHHUFUHOSK-GOSISDBHSA-N -1 3 381.436 3.228 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(OC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899134 598882346 /nfs/dbraw/zinc/88/23/46/598882346.db2.gz XRWKBGJEUFXIOA-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(OC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899134 598882347 /nfs/dbraw/zinc/88/23/47/598882347.db2.gz XRWKBGJEUFXIOA-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897985 598883234 /nfs/dbraw/zinc/88/32/34/598883234.db2.gz NRHVDFMZPIEGHY-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897985 598883236 /nfs/dbraw/zinc/88/32/36/598883236.db2.gz NRHVDFMZPIEGHY-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896429 598883487 /nfs/dbraw/zinc/88/34/87/598883487.db2.gz NGOCFSRQVSPYLO-IRXDYDNUSA-N -1 3 383.839 3.011 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896429 598883488 /nfs/dbraw/zinc/88/34/88/598883488.db2.gz NGOCFSRQVSPYLO-IRXDYDNUSA-N -1 3 383.839 3.011 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2ccccc2)CCC1 ZINC000736036494 598883688 /nfs/dbraw/zinc/88/36/88/598883688.db2.gz BMSFVLJNYNNLOU-HNNXBMFYSA-N -1 3 378.432 3.299 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2ccccc2)CCC1 ZINC000736036494 598883689 /nfs/dbraw/zinc/88/36/89/598883689.db2.gz BMSFVLJNYNNLOU-HNNXBMFYSA-N -1 3 378.432 3.299 20 0 GGADHM COc1ccccc1C(C)=CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737143582 598883733 /nfs/dbraw/zinc/88/37/33/598883733.db2.gz WLAPJIPBAWPYCH-GOFCXVBSSA-N -1 3 394.431 3.289 20 0 GGADHM COc1ccccc1C(C)=CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737143582 598883734 /nfs/dbraw/zinc/88/37/34/598883734.db2.gz WLAPJIPBAWPYCH-GOFCXVBSSA-N -1 3 394.431 3.289 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736118845 598888741 /nfs/dbraw/zinc/88/87/41/598888741.db2.gz WHKZPUVROZPQBV-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736118845 598888742 /nfs/dbraw/zinc/88/87/42/598888742.db2.gz WHKZPUVROZPQBV-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1ccc(Cl)cc1 ZINC000736036690 598885702 /nfs/dbraw/zinc/88/57/02/598885702.db2.gz GLNDKSKOMQQFKW-CYBMUJFWSA-N -1 3 386.839 3.463 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1ccc(Cl)cc1 ZINC000736036690 598885703 /nfs/dbraw/zinc/88/57/03/598885703.db2.gz GLNDKSKOMQQFKW-CYBMUJFWSA-N -1 3 386.839 3.463 20 0 GGADHM CSc1ccsc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737191478 598885820 /nfs/dbraw/zinc/88/58/20/598885820.db2.gz NIMXSBKSMQDAGH-JTQLQIEISA-N -1 3 376.463 3.274 20 0 GGADHM CSc1ccsc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737191478 598885821 /nfs/dbraw/zinc/88/58/21/598885821.db2.gz NIMXSBKSMQDAGH-JTQLQIEISA-N -1 3 376.463 3.274 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1OCC1CC1 ZINC000736041577 598886068 /nfs/dbraw/zinc/88/60/68/598886068.db2.gz YDAZYPPSVYULAJ-AWEZNQCLSA-N -1 3 394.431 3.280 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1OCC1CC1 ZINC000736041577 598886070 /nfs/dbraw/zinc/88/60/70/598886070.db2.gz YDAZYPPSVYULAJ-AWEZNQCLSA-N -1 3 394.431 3.280 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737285350 598886570 /nfs/dbraw/zinc/88/65/70/598886570.db2.gz QPTUDKXMPZEOBY-OAHLLOKOSA-N -1 3 391.431 3.141 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737285350 598886571 /nfs/dbraw/zinc/88/65/71/598886571.db2.gz QPTUDKXMPZEOBY-OAHLLOKOSA-N -1 3 391.431 3.141 20 0 GGADHM Cc1cccc(C2(C(=O)O[C@H](C)COc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737389347 598888410 /nfs/dbraw/zinc/88/84/10/598888410.db2.gz KZZUNZZGRHRONT-OAHLLOKOSA-N -1 3 378.432 3.217 20 0 GGADHM Cc1cccc(C2(C(=O)O[C@H](C)COc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737389347 598888412 /nfs/dbraw/zinc/88/84/12/598888412.db2.gz KZZUNZZGRHRONT-OAHLLOKOSA-N -1 3 378.432 3.217 20 0 GGADHM CC(C)OCc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735904079 598888716 /nfs/dbraw/zinc/88/87/16/598888716.db2.gz KXFWBRHHDJFEEX-HNNXBMFYSA-N -1 3 396.447 3.416 20 0 GGADHM CC(C)OCc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735904079 598888719 /nfs/dbraw/zinc/88/87/19/598888719.db2.gz KXFWBRHHDJFEEX-HNNXBMFYSA-N -1 3 396.447 3.416 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(OC(F)F)cc1 ZINC000736040537 598889442 /nfs/dbraw/zinc/88/94/42/598889442.db2.gz PFAWWYITXYUNEU-NSHDSACASA-N -1 3 390.346 3.092 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(OC(F)F)cc1 ZINC000736040537 598889443 /nfs/dbraw/zinc/88/94/43/598889443.db2.gz PFAWWYITXYUNEU-NSHDSACASA-N -1 3 390.346 3.092 20 0 GGADHM COc1ccc(CCCC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737089236 598889477 /nfs/dbraw/zinc/88/94/77/598889477.db2.gz RGDRFQNIXJCNHA-OAHLLOKOSA-N -1 3 396.447 3.209 20 0 GGADHM COc1ccc(CCCC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737089236 598889480 /nfs/dbraw/zinc/88/94/80/598889480.db2.gz RGDRFQNIXJCNHA-OAHLLOKOSA-N -1 3 396.447 3.209 20 0 GGADHM C[C@@H](CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000736019266 598889680 /nfs/dbraw/zinc/88/96/80/598889680.db2.gz ZVOJZIUOWXXYMP-LBPRGKRZSA-N -1 3 382.493 3.441 20 0 GGADHM C[C@@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117662 598889983 /nfs/dbraw/zinc/88/99/83/598889983.db2.gz JQOYDQVEOYPYAM-CYBMUJFWSA-N -1 3 380.427 3.098 20 0 GGADHM C[C@@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117662 598889984 /nfs/dbraw/zinc/88/99/84/598889984.db2.gz JQOYDQVEOYPYAM-CYBMUJFWSA-N -1 3 380.427 3.098 20 0 GGADHM CC1(C)C[C@H]1CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736209563 598890176 /nfs/dbraw/zinc/89/01/76/598890176.db2.gz AFVNDFHZHUORFO-AWEZNQCLSA-N -1 3 382.493 3.441 20 0 GGADHM O=C(NCc1cscn1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738110461 598890791 /nfs/dbraw/zinc/89/07/91/598890791.db2.gz CQBKXZBQQSFEMW-UHFFFAOYSA-N -1 3 397.489 3.051 20 0 GGADHM COC(=O)[C@H](OC(=O)CCCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900637 598893876 /nfs/dbraw/zinc/89/38/76/598893876.db2.gz SYTFJRRMYXWLPJ-GOSISDBHSA-N -1 3 386.452 3.375 20 0 GGADHM COC(=O)[C@H](OC(=O)CCCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900637 598893878 /nfs/dbraw/zinc/89/38/78/598893878.db2.gz SYTFJRRMYXWLPJ-GOSISDBHSA-N -1 3 386.452 3.375 20 0 GGADHM CCCCc1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736466487 598894204 /nfs/dbraw/zinc/89/42/04/598894204.db2.gz KUOWRMKMMWHYCX-SFHVURJKSA-N -1 3 394.431 3.280 20 0 GGADHM CCCCc1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736466487 598894205 /nfs/dbraw/zinc/89/42/05/598894205.db2.gz KUOWRMKMMWHYCX-SFHVURJKSA-N -1 3 394.431 3.280 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1ccc(CC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898414 598896359 /nfs/dbraw/zinc/89/63/59/598896359.db2.gz JZVLYZCEXFMIAE-SFHVURJKSA-N -1 3 394.431 3.136 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1ccc(CC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898414 598896360 /nfs/dbraw/zinc/89/63/60/598896360.db2.gz JZVLYZCEXFMIAE-SFHVURJKSA-N -1 3 394.431 3.136 20 0 GGADHM CC[C@H](CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736334592 598899838 /nfs/dbraw/zinc/89/98/38/598899838.db2.gz VUKYQONPFUBKQT-AUUYWEPGSA-N -1 3 394.431 3.208 20 0 GGADHM CC[C@H](CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736334592 598899840 /nfs/dbraw/zinc/89/98/40/598899840.db2.gz VUKYQONPFUBKQT-AUUYWEPGSA-N -1 3 394.431 3.208 20 0 GGADHM C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736267595 598901575 /nfs/dbraw/zinc/90/15/75/598901575.db2.gz OWHYNVKKGRWDKA-AWEZNQCLSA-N -1 3 394.504 3.422 20 0 GGADHM C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736267595 598901577 /nfs/dbraw/zinc/90/15/77/598901577.db2.gz OWHYNVKKGRWDKA-AWEZNQCLSA-N -1 3 394.504 3.422 20 0 GGADHM Cc1cccc([C@H](C)C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737390854 598902699 /nfs/dbraw/zinc/90/26/99/598902699.db2.gz WIXNVDFVIOIEPR-LBPRGKRZSA-N -1 3 399.838 3.114 20 0 GGADHM Cc1cccc([C@H](C)C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737390854 598902700 /nfs/dbraw/zinc/90/27/00/598902700.db2.gz WIXNVDFVIOIEPR-LBPRGKRZSA-N -1 3 399.838 3.114 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737278572 598903674 /nfs/dbraw/zinc/90/36/74/598903674.db2.gz KCGJUQMKJGRWLT-UHFFFAOYSA-N -1 3 379.392 3.110 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737278572 598903675 /nfs/dbraw/zinc/90/36/75/598903675.db2.gz KCGJUQMKJGRWLT-UHFFFAOYSA-N -1 3 379.392 3.110 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@](C)(CC)c1nccs1 ZINC000736633749 598904988 /nfs/dbraw/zinc/90/49/88/598904988.db2.gz DXKYQVRSXWYKET-QGZVFWFLSA-N -1 3 387.469 3.169 20 0 GGADHM COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000736974368 598905059 /nfs/dbraw/zinc/90/50/59/598905059.db2.gz ZYBONQGCVRWMCM-CQSZACIVSA-N -1 3 394.435 3.159 20 0 GGADHM COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000736974368 598905061 /nfs/dbraw/zinc/90/50/61/598905061.db2.gz ZYBONQGCVRWMCM-CQSZACIVSA-N -1 3 394.435 3.159 20 0 GGADHM COC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000736974363 598905093 /nfs/dbraw/zinc/90/50/93/598905093.db2.gz ZYBONQGCVRWMCM-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM COC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000736974363 598905095 /nfs/dbraw/zinc/90/50/95/598905095.db2.gz ZYBONQGCVRWMCM-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000737277898 598905370 /nfs/dbraw/zinc/90/53/70/598905370.db2.gz BQSUAVYGVGWMPD-UHFFFAOYSA-N -1 3 383.355 3.254 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737277898 598905372 /nfs/dbraw/zinc/90/53/72/598905372.db2.gz BQSUAVYGVGWMPD-UHFFFAOYSA-N -1 3 383.355 3.254 20 0 GGADHM CCc1cc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)no1 ZINC000736678333 598906174 /nfs/dbraw/zinc/90/61/74/598906174.db2.gz XUFJCASZFAZFHZ-UHFFFAOYSA-N -1 3 395.448 3.467 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736258452 598907002 /nfs/dbraw/zinc/90/70/02/598907002.db2.gz AZQPFMCBFFVOGH-GPMSIDNRSA-N -1 3 382.512 3.168 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1(C)C ZINC000736613243 598911349 /nfs/dbraw/zinc/91/13/49/598911349.db2.gz RYESWMGJEDSBJX-UONOGXRCSA-N -1 3 394.932 3.352 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000736613243 598911351 /nfs/dbraw/zinc/91/13/51/598911351.db2.gz RYESWMGJEDSBJX-UONOGXRCSA-N -1 3 394.932 3.352 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000735923088 598912368 /nfs/dbraw/zinc/91/23/68/598912368.db2.gz KIFUWXRHZWTILL-KGLIPLIRSA-N -1 3 395.492 3.035 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000735923088 598912369 /nfs/dbraw/zinc/91/23/69/598912369.db2.gz KIFUWXRHZWTILL-KGLIPLIRSA-N -1 3 395.492 3.035 20 0 GGADHM CC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736355846 598912679 /nfs/dbraw/zinc/91/26/79/598912679.db2.gz BRTQLCPQLIWFHZ-GFCCVEGCSA-N -1 3 376.873 3.261 20 0 GGADHM O=C(CSCc1cc(-c2ccccc2)no1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737932782 598919338 /nfs/dbraw/zinc/91/93/38/598919338.db2.gz PUBDXLYEURENQM-UHFFFAOYSA-N -1 3 392.444 3.394 20 0 GGADHM O=C(CSCc1cc(-c2ccccc2)no1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737932782 598919340 /nfs/dbraw/zinc/91/93/40/598919340.db2.gz PUBDXLYEURENQM-UHFFFAOYSA-N -1 3 392.444 3.394 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000736635831 598922885 /nfs/dbraw/zinc/92/28/85/598922885.db2.gz HFJGUZFPMPKYOV-KRWDZBQOSA-N -1 3 392.463 3.287 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000736635831 598922886 /nfs/dbraw/zinc/92/28/86/598922886.db2.gz HFJGUZFPMPKYOV-KRWDZBQOSA-N -1 3 392.463 3.287 20 0 GGADHM Cc1cnc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)s1 ZINC000737444774 598926284 /nfs/dbraw/zinc/92/62/84/598926284.db2.gz ASNXGUXSEAZCJX-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1cnc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)s1 ZINC000737444774 598926286 /nfs/dbraw/zinc/92/62/86/598926286.db2.gz ASNXGUXSEAZCJX-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736182568 598928744 /nfs/dbraw/zinc/92/87/44/598928744.db2.gz GQQPLLCLIGPVDP-VXGBXAGGSA-N -1 3 394.460 3.121 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736182568 598928746 /nfs/dbraw/zinc/92/87/46/598928746.db2.gz GQQPLLCLIGPVDP-VXGBXAGGSA-N -1 3 394.460 3.121 20 0 GGADHM CC(C)n1cc2ccc(NC(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)cc2n1 ZINC000736169731 598929021 /nfs/dbraw/zinc/92/90/21/598929021.db2.gz ONGSXZLGZVOEAY-ZDUSSCGKSA-N -1 3 391.435 3.203 20 0 GGADHM CC1CCC(=CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000736234813 598932774 /nfs/dbraw/zinc/93/27/74/598932774.db2.gz CDWCEXVQSMLUJB-UHFFFAOYSA-N -1 3 380.496 3.042 20 0 GGADHM CC1CCC(=CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000736234813 598932776 /nfs/dbraw/zinc/93/27/76/598932776.db2.gz CDWCEXVQSMLUJB-UHFFFAOYSA-N -1 3 380.496 3.042 20 0 GGADHM Cc1[nH]nc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)c1C ZINC000737453663 598933552 /nfs/dbraw/zinc/93/35/52/598933552.db2.gz QWZVWPFMOFSMQG-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1[nH]nc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)c1C ZINC000737453663 598933554 /nfs/dbraw/zinc/93/35/54/598933554.db2.gz QWZVWPFMOFSMQG-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737452271 598933792 /nfs/dbraw/zinc/93/37/92/598933792.db2.gz FDEGOXPZMDGMGQ-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737452271 598933793 /nfs/dbraw/zinc/93/37/93/598933793.db2.gz FDEGOXPZMDGMGQ-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737426287 598934962 /nfs/dbraw/zinc/93/49/62/598934962.db2.gz KUARRRJSEPRVDF-HXUWFJFHSA-N -1 3 375.476 3.341 20 0 GGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737426287 598934963 /nfs/dbraw/zinc/93/49/63/598934963.db2.gz KUARRRJSEPRVDF-HXUWFJFHSA-N -1 3 375.476 3.341 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C12CCCC2 ZINC000736608164 598939440 /nfs/dbraw/zinc/93/94/40/598939440.db2.gz AKJPFEVBJKUCJL-JKSUJKDBSA-N -1 3 386.525 3.233 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C12CCCC2 ZINC000736608164 598939442 /nfs/dbraw/zinc/93/94/42/598939442.db2.gz AKJPFEVBJKUCJL-JKSUJKDBSA-N -1 3 386.525 3.233 20 0 GGADHM CCc1csc([C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC000736701040 598939790 /nfs/dbraw/zinc/93/97/90/598939790.db2.gz XNDUZHNMWGLQGY-JTQLQIEISA-N -1 3 375.889 3.318 20 0 GGADHM CCc1csc([C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC000736701040 598939793 /nfs/dbraw/zinc/93/97/93/598939793.db2.gz XNDUZHNMWGLQGY-JTQLQIEISA-N -1 3 375.889 3.318 20 0 GGADHM COC(=O)CSCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736930558 598941467 /nfs/dbraw/zinc/94/14/67/598941467.db2.gz IOMPJIORHRHKHX-UHFFFAOYSA-N -1 3 390.856 3.065 20 0 GGADHM COC(=O)CSCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736930558 598941468 /nfs/dbraw/zinc/94/14/68/598941468.db2.gz IOMPJIORHRHKHX-UHFFFAOYSA-N -1 3 390.856 3.065 20 0 GGADHM Cc1csc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000737453778 598941592 /nfs/dbraw/zinc/94/15/92/598941592.db2.gz ZGPLLCPNJDQCOM-LLVKDONJSA-N -1 3 375.889 3.000 20 0 GGADHM Cc1csc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000737453778 598941594 /nfs/dbraw/zinc/94/15/94/598941594.db2.gz ZGPLLCPNJDQCOM-LLVKDONJSA-N -1 3 375.889 3.000 20 0 GGADHM Cc1csc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C[C@@H]2C)n1 ZINC000737453426 598941599 /nfs/dbraw/zinc/94/15/99/598941599.db2.gz UUMRFRBMIXRKMZ-NSHDSACASA-N -1 3 375.889 3.000 20 0 GGADHM Cc1csc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C[C@@H]2C)n1 ZINC000737453426 598941600 /nfs/dbraw/zinc/94/16/00/598941600.db2.gz UUMRFRBMIXRKMZ-NSHDSACASA-N -1 3 375.889 3.000 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000737561506 598941757 /nfs/dbraw/zinc/94/17/57/598941757.db2.gz FFYIQTCOHLRVBT-CQSZACIVSA-N -1 3 384.827 3.028 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000737561506 598941759 /nfs/dbraw/zinc/94/17/59/598941759.db2.gz FFYIQTCOHLRVBT-CQSZACIVSA-N -1 3 384.827 3.028 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737852577 598942041 /nfs/dbraw/zinc/94/20/41/598942041.db2.gz OFBHXSJCEVDULF-CJNGLKHVSA-N -1 3 385.830 3.264 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737852577 598942042 /nfs/dbraw/zinc/94/20/42/598942042.db2.gz OFBHXSJCEVDULF-CJNGLKHVSA-N -1 3 385.830 3.264 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736397330 598942605 /nfs/dbraw/zinc/94/26/05/598942605.db2.gz TVSDHGPVVJDMKY-LSDHHAIUSA-N -1 3 388.541 3.364 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736397330 598942607 /nfs/dbraw/zinc/94/26/07/598942607.db2.gz TVSDHGPVVJDMKY-LSDHHAIUSA-N -1 3 388.541 3.364 20 0 GGADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)C1CC1 ZINC000737789303 598944463 /nfs/dbraw/zinc/94/44/63/598944463.db2.gz BTSYHWRFQZMFSO-FQEVSTJZSA-N -1 3 388.475 3.027 20 0 GGADHM Cc1cc(C)cc(CCNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737252839 598944814 /nfs/dbraw/zinc/94/48/14/598944814.db2.gz MIJXGQFVYBKXCM-UHFFFAOYSA-N -1 3 381.505 3.076 20 0 GGADHM Cc1cc(C)cc(CCNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737252839 598944815 /nfs/dbraw/zinc/94/48/15/598944815.db2.gz MIJXGQFVYBKXCM-UHFFFAOYSA-N -1 3 381.505 3.076 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000736467399 598945267 /nfs/dbraw/zinc/94/52/67/598945267.db2.gz DUZKXBXQUMKKDD-ROUUACIJSA-N -1 3 385.512 3.242 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000736467399 598945270 /nfs/dbraw/zinc/94/52/70/598945270.db2.gz DUZKXBXQUMKKDD-ROUUACIJSA-N -1 3 385.512 3.242 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000736467400 598945350 /nfs/dbraw/zinc/94/53/50/598945350.db2.gz DUZKXBXQUMKKDD-ZWKOTPCHSA-N -1 3 385.512 3.242 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000736467400 598945351 /nfs/dbraw/zinc/94/53/51/598945351.db2.gz DUZKXBXQUMKKDD-ZWKOTPCHSA-N -1 3 385.512 3.242 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000737300909 598949126 /nfs/dbraw/zinc/94/91/26/598949126.db2.gz FUHIMFALTONUNF-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000737300909 598949127 /nfs/dbraw/zinc/94/91/27/598949127.db2.gz FUHIMFALTONUNF-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM C[C@H](O)C[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736146129 598951526 /nfs/dbraw/zinc/95/15/26/598951526.db2.gz XGSSZRZWFGEMKQ-KBPBESRZSA-N -1 3 397.504 3.155 20 0 GGADHM C[C@H](O)C[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736146129 598951528 /nfs/dbraw/zinc/95/15/28/598951528.db2.gz XGSSZRZWFGEMKQ-KBPBESRZSA-N -1 3 397.504 3.155 20 0 GGADHM C[C@H]1C[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736228989 598951540 /nfs/dbraw/zinc/95/15/40/598951540.db2.gz PKCIQPFINGWPAF-GJZGRUSLSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@H]1C[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736228989 598951542 /nfs/dbraw/zinc/95/15/42/598951542.db2.gz PKCIQPFINGWPAF-GJZGRUSLSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736224725 598951564 /nfs/dbraw/zinc/95/15/64/598951564.db2.gz AFPIJLLTLCGINJ-LSDHHAIUSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736224725 598951565 /nfs/dbraw/zinc/95/15/65/598951565.db2.gz AFPIJLLTLCGINJ-LSDHHAIUSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736228988 598951735 /nfs/dbraw/zinc/95/17/35/598951735.db2.gz PKCIQPFINGWPAF-CABCVRRESA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736228988 598951737 /nfs/dbraw/zinc/95/17/37/598951737.db2.gz PKCIQPFINGWPAF-CABCVRRESA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736229476 598951816 /nfs/dbraw/zinc/95/18/16/598951816.db2.gz QVUUAEDAQLGNEO-CABCVRRESA-N -1 3 377.448 3.316 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000737295956 598953180 /nfs/dbraw/zinc/95/31/80/598953180.db2.gz CJGSDVNALBXSLQ-GOSISDBHSA-N -1 3 395.488 3.016 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000737295956 598953181 /nfs/dbraw/zinc/95/31/81/598953181.db2.gz CJGSDVNALBXSLQ-GOSISDBHSA-N -1 3 395.488 3.016 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccc(Cl)s1 ZINC000736371596 598957310 /nfs/dbraw/zinc/95/73/10/598957310.db2.gz XKLDSTRAMZXRHQ-LLVKDONJSA-N -1 3 397.913 3.320 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccc(Cl)s1 ZINC000736371596 598957312 /nfs/dbraw/zinc/95/73/12/598957312.db2.gz XKLDSTRAMZXRHQ-LLVKDONJSA-N -1 3 397.913 3.320 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736129046 598960638 /nfs/dbraw/zinc/96/06/38/598960638.db2.gz ALZPYUKQXCYTMR-NWDGAFQWSA-N -1 3 393.476 3.154 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736129046 598960641 /nfs/dbraw/zinc/96/06/41/598960641.db2.gz ALZPYUKQXCYTMR-NWDGAFQWSA-N -1 3 393.476 3.154 20 0 GGADHM C[C@@H](NC(=O)N[C@@]1(C)CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110979 598965466 /nfs/dbraw/zinc/96/54/66/598965466.db2.gz CZJHBDLFXHXYJL-SZNDQCEHSA-N -1 3 376.464 3.479 20 0 GGADHM C[C@@H](NC(=O)N[C@@]1(C)CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110979 598965467 /nfs/dbraw/zinc/96/54/67/598965467.db2.gz CZJHBDLFXHXYJL-SZNDQCEHSA-N -1 3 376.464 3.479 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000736116091 598963896 /nfs/dbraw/zinc/96/38/96/598963896.db2.gz BZJAISCFCHIQRE-SNVBAGLBSA-N -1 3 397.439 3.176 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000736116091 598963897 /nfs/dbraw/zinc/96/38/97/598963897.db2.gz BZJAISCFCHIQRE-SNVBAGLBSA-N -1 3 397.439 3.176 20 0 GGADHM Cc1c(NCC(=O)Nc2ccc(C(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822123301 607255867 /nfs/dbraw/zinc/25/58/67/607255867.db2.gz YWRSGRZMDGXUET-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM Cc1c(NCC(=O)Nc2ccc(C(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822123301 607255868 /nfs/dbraw/zinc/25/58/68/607255868.db2.gz YWRSGRZMDGXUET-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM O=C(OCc1nccs1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738245675 598968954 /nfs/dbraw/zinc/96/89/54/598968954.db2.gz WADMNCDULMHJSP-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM O=C(OCc1nccs1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738245675 598968956 /nfs/dbraw/zinc/96/89/56/598968956.db2.gz WADMNCDULMHJSP-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1ccccc1C ZINC000736508051 598969907 /nfs/dbraw/zinc/96/99/07/598969907.db2.gz IQBLXKKDRAEQQB-OAHLLOKOSA-N -1 3 385.493 3.088 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1ccccc1C ZINC000736508051 598969908 /nfs/dbraw/zinc/96/99/08/598969908.db2.gz IQBLXKKDRAEQQB-OAHLLOKOSA-N -1 3 385.493 3.088 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000736509332 598970264 /nfs/dbraw/zinc/97/02/64/598970264.db2.gz VCFWFABVYQOZCV-CYBMUJFWSA-N -1 3 389.456 3.086 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000736509332 598970266 /nfs/dbraw/zinc/97/02/66/598970266.db2.gz VCFWFABVYQOZCV-CYBMUJFWSA-N -1 3 389.456 3.086 20 0 GGADHM CC(C)CC[C@](C)(O)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735798494 598974957 /nfs/dbraw/zinc/97/49/57/598974957.db2.gz WVYIJJLIKJHOMP-SFHVURJKSA-N -1 3 376.411 3.292 20 0 GGADHM CC(C)CC[C@](C)(O)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735798494 598974959 /nfs/dbraw/zinc/97/49/59/598974959.db2.gz WVYIJJLIKJHOMP-SFHVURJKSA-N -1 3 376.411 3.292 20 0 GGADHM Clc1ccc(-n2cc(CNc3ccc(-c4nn[n-]n4)cc3Cl)nn2)cc1 ZINC000822573689 607256136 /nfs/dbraw/zinc/25/61/36/607256136.db2.gz DDCDMUBWXMAPIF-UHFFFAOYSA-N -1 3 387.234 3.366 20 0 GGADHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736742050 598977615 /nfs/dbraw/zinc/97/76/15/598977615.db2.gz XDDKAZSCHRHBTR-INIZCTEOSA-N -1 3 393.520 3.164 20 0 GGADHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736742050 598977617 /nfs/dbraw/zinc/97/76/17/598977617.db2.gz XDDKAZSCHRHBTR-INIZCTEOSA-N -1 3 393.520 3.164 20 0 GGADHM O=C(NCCc1ccccc1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738088964 598979529 /nfs/dbraw/zinc/97/95/29/598979529.db2.gz RYERSKQIMRJGOO-UHFFFAOYSA-N -1 3 399.454 3.418 20 0 GGADHM CCOc1ccc(-c2noc(CNc3cccc(-c4nnn[n-]4)c3C)n2)cc1 ZINC000821417015 607256338 /nfs/dbraw/zinc/25/63/38/607256338.db2.gz GVLYYIBXQMVGRQ-UHFFFAOYSA-N -1 3 377.408 3.236 20 0 GGADHM CCOc1ccc(-c2noc(CNc3cccc(-c4nn[n-]n4)c3C)n2)cc1 ZINC000821417015 607256339 /nfs/dbraw/zinc/25/63/39/607256339.db2.gz GVLYYIBXQMVGRQ-UHFFFAOYSA-N -1 3 377.408 3.236 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000735875355 598989250 /nfs/dbraw/zinc/98/92/50/598989250.db2.gz UOFPKXAOOCECIF-HXUWFJFHSA-N -1 3 391.475 3.308 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000735875355 598989252 /nfs/dbraw/zinc/98/92/52/598989252.db2.gz UOFPKXAOOCECIF-HXUWFJFHSA-N -1 3 391.475 3.308 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000735904846 598996896 /nfs/dbraw/zinc/99/68/96/598996896.db2.gz UBEZFGNARCCXGA-IBGZPJMESA-N -1 3 393.447 3.297 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000735904846 598996898 /nfs/dbraw/zinc/99/68/98/598996898.db2.gz UBEZFGNARCCXGA-IBGZPJMESA-N -1 3 393.447 3.297 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000737222071 598997508 /nfs/dbraw/zinc/99/75/08/598997508.db2.gz VEYVUXMBUDYFMV-CYBMUJFWSA-N -1 3 397.460 3.303 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000737222071 598997509 /nfs/dbraw/zinc/99/75/09/598997509.db2.gz VEYVUXMBUDYFMV-CYBMUJFWSA-N -1 3 397.460 3.303 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000737220501 599000248 /nfs/dbraw/zinc/00/02/48/599000248.db2.gz DXWSNXGKBCLMRT-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000737220501 599000249 /nfs/dbraw/zinc/00/02/49/599000249.db2.gz DXWSNXGKBCLMRT-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM CCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736472697 599001610 /nfs/dbraw/zinc/00/16/10/599001610.db2.gz RVDXXIGOADDDAR-GOSISDBHSA-N -1 3 397.504 3.263 20 0 GGADHM CCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736472697 599001612 /nfs/dbraw/zinc/00/16/12/599001612.db2.gz RVDXXIGOADDDAR-GOSISDBHSA-N -1 3 397.504 3.263 20 0 GGADHM Cc1occc1CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737557299 599006501 /nfs/dbraw/zinc/00/65/01/599006501.db2.gz RHFRBGDMCRVJPP-UHFFFAOYSA-N -1 3 389.415 3.277 20 0 GGADHM Cc1occc1CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737557299 599006502 /nfs/dbraw/zinc/00/65/02/599006502.db2.gz RHFRBGDMCRVJPP-UHFFFAOYSA-N -1 3 389.415 3.277 20 0 GGADHM CC(C)[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735720624 599006685 /nfs/dbraw/zinc/00/66/85/599006685.db2.gz HOLXYYADRWCKJR-GOSISDBHSA-N -1 3 385.855 3.412 20 0 GGADHM CC(C)[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735720624 599006687 /nfs/dbraw/zinc/00/66/87/599006687.db2.gz HOLXYYADRWCKJR-GOSISDBHSA-N -1 3 385.855 3.412 20 0 GGADHM C[C@@H](CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736026004 599006871 /nfs/dbraw/zinc/00/68/71/599006871.db2.gz NZDRTQGQDPDXNV-ZDUSSCGKSA-N -1 3 383.452 3.451 20 0 GGADHM C[C@@H](CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736026004 599006873 /nfs/dbraw/zinc/00/68/73/599006873.db2.gz NZDRTQGQDPDXNV-ZDUSSCGKSA-N -1 3 383.452 3.451 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000736181649 599008443 /nfs/dbraw/zinc/00/84/43/599008443.db2.gz LEXDATQDTXABQM-ZOBUZTSGSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000736181649 599008446 /nfs/dbraw/zinc/00/84/46/599008446.db2.gz LEXDATQDTXABQM-ZOBUZTSGSA-N -1 3 377.448 3.039 20 0 GGADHM Cc1ccnc(-c2ccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000737435666 599009265 /nfs/dbraw/zinc/00/92/65/599009265.db2.gz HSKMTYRWAUAQNA-UHFFFAOYSA-N -1 3 385.431 3.203 20 0 GGADHM Cc1ccnc(-c2ccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737435666 599009267 /nfs/dbraw/zinc/00/92/67/599009267.db2.gz HSKMTYRWAUAQNA-UHFFFAOYSA-N -1 3 385.431 3.203 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1cc(-c2ccco2)on1 ZINC000737032484 599009894 /nfs/dbraw/zinc/00/98/94/599009894.db2.gz MGDAYFXZWCFRFS-UHFFFAOYSA-N -1 3 399.432 3.436 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1cc(-c2ccco2)on1 ZINC000737032484 599009896 /nfs/dbraw/zinc/00/98/96/599009896.db2.gz MGDAYFXZWCFRFS-UHFFFAOYSA-N -1 3 399.432 3.436 20 0 GGADHM O=C(NCCCNc1ccccn1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738076798 599010945 /nfs/dbraw/zinc/01/09/45/599010945.db2.gz VGIGPMLXZDRMMM-UHFFFAOYSA-N -1 3 399.458 3.161 20 0 GGADHM O=C(NCCCNc1ccccn1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738076798 599010946 /nfs/dbraw/zinc/01/09/46/599010946.db2.gz VGIGPMLXZDRMMM-UHFFFAOYSA-N -1 3 399.458 3.161 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1Cc2ccccc2[C@@H](C)C1 ZINC000736291327 599014889 /nfs/dbraw/zinc/01/48/89/599014889.db2.gz LTBLMNAMNJXHQX-STQMWFEESA-N -1 3 396.882 3.466 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1Cc2ccccc2[C@@H](C)C1 ZINC000736291327 599014891 /nfs/dbraw/zinc/01/48/91/599014891.db2.gz LTBLMNAMNJXHQX-STQMWFEESA-N -1 3 396.882 3.466 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCc1ccc(Cl)cc1 ZINC000736168815 599015024 /nfs/dbraw/zinc/01/50/24/599015024.db2.gz KMBHTAALGBAOEE-ZDUSSCGKSA-N -1 3 386.839 3.463 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738101717 599013313 /nfs/dbraw/zinc/01/33/13/599013313.db2.gz LJDFXHQGVPNXMJ-DOMZBBRYSA-N -1 3 386.818 3.015 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738101717 599013316 /nfs/dbraw/zinc/01/33/16/599013316.db2.gz LJDFXHQGVPNXMJ-DOMZBBRYSA-N -1 3 386.818 3.015 20 0 GGADHM CC[C@@H]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736396995 599013599 /nfs/dbraw/zinc/01/35/99/599013599.db2.gz PZSPXQCWPHYNFH-IAGOWNOFSA-N -1 3 397.527 3.057 20 0 GGADHM CC[C@@H]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736396995 599013601 /nfs/dbraw/zinc/01/36/01/599013601.db2.gz PZSPXQCWPHYNFH-IAGOWNOFSA-N -1 3 397.527 3.057 20 0 GGADHM CC1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736276956 599017859 /nfs/dbraw/zinc/01/78/59/599017859.db2.gz JEXMUUAMDRQTSZ-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000736191446 599017997 /nfs/dbraw/zinc/01/79/97/599017997.db2.gz ZNRYWPHMKLDAFR-CYBMUJFWSA-N -1 3 381.436 3.450 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000736191446 599017999 /nfs/dbraw/zinc/01/79/99/599017999.db2.gz ZNRYWPHMKLDAFR-CYBMUJFWSA-N -1 3 381.436 3.450 20 0 GGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1cc(F)ccc1F ZINC000736365880 599020438 /nfs/dbraw/zinc/02/04/38/599020438.db2.gz YRPFXPQMBNQWGF-CQSZACIVSA-N -1 3 388.378 3.426 20 0 GGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1cc(F)ccc1F ZINC000736365880 599020440 /nfs/dbraw/zinc/02/04/40/599020440.db2.gz YRPFXPQMBNQWGF-CQSZACIVSA-N -1 3 388.378 3.426 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1cc(C)cc(C)c1 ZINC000736633655 599020625 /nfs/dbraw/zinc/02/06/25/599020625.db2.gz DTRPDJAFWNQNJZ-UHFFFAOYSA-N -1 3 380.452 3.246 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1cc(C)cc(C)c1 ZINC000736633655 599020626 /nfs/dbraw/zinc/02/06/26/599020626.db2.gz DTRPDJAFWNQNJZ-UHFFFAOYSA-N -1 3 380.452 3.246 20 0 GGADHM CCc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736696167 599022369 /nfs/dbraw/zinc/02/23/69/599022369.db2.gz WLWKLXWDDSMHJW-UHFFFAOYSA-N -1 3 388.378 3.352 20 0 GGADHM CCc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736696167 599022370 /nfs/dbraw/zinc/02/23/70/599022370.db2.gz WLWKLXWDDSMHJW-UHFFFAOYSA-N -1 3 388.378 3.352 20 0 GGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000736363419 599023638 /nfs/dbraw/zinc/02/36/38/599023638.db2.gz NVYYKKDOTPIMDV-MRXNPFEDSA-N -1 3 390.369 3.235 20 0 GGADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000736363419 599023640 /nfs/dbraw/zinc/02/36/40/599023640.db2.gz NVYYKKDOTPIMDV-MRXNPFEDSA-N -1 3 390.369 3.235 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737452762 599024101 /nfs/dbraw/zinc/02/41/01/599024101.db2.gz KQGUYMKDIMPZIQ-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM CC[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736401046 599027651 /nfs/dbraw/zinc/02/76/51/599027651.db2.gz GCRSDAHKIZFKDT-GOSISDBHSA-N -1 3 377.448 3.460 20 0 GGADHM O=C(OC[C@H]1CCCCO1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738220236 599027434 /nfs/dbraw/zinc/02/74/34/599027434.db2.gz QWLZUPBMMQPSNY-GOSISDBHSA-N -1 3 379.420 3.336 20 0 GGADHM CN(CCOc1ccccc1Cl)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736803795 599041221 /nfs/dbraw/zinc/04/12/21/599041221.db2.gz BHQNOBVWLUWICE-UHFFFAOYSA-N -1 3 398.776 3.449 20 0 GGADHM CN(CCOc1ccccc1Cl)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736803795 599041224 /nfs/dbraw/zinc/04/12/24/599041224.db2.gz BHQNOBVWLUWICE-UHFFFAOYSA-N -1 3 398.776 3.449 20 0 GGADHM Cc1nc2ccccc2n1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737490875 599040070 /nfs/dbraw/zinc/04/00/70/599040070.db2.gz YQENTIOLKGQKMK-UHFFFAOYSA-N -1 3 388.357 3.051 20 0 GGADHM Cc1nc2ccccc2n1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737490875 599040073 /nfs/dbraw/zinc/04/00/73/599040073.db2.gz YQENTIOLKGQKMK-UHFFFAOYSA-N -1 3 388.357 3.051 20 0 GGADHM Cc1cccc([C@H](C)CNC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737388769 599040132 /nfs/dbraw/zinc/04/01/32/599040132.db2.gz LPBLQZHBWBRWIE-UZLBHIALSA-N -1 3 393.491 3.498 20 0 GGADHM Cc1cccc([C@H](C)CNC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737388769 599040134 /nfs/dbraw/zinc/04/01/34/599040134.db2.gz LPBLQZHBWBRWIE-UZLBHIALSA-N -1 3 393.491 3.498 20 0 GGADHM CC(=O)Nc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000819826604 599040718 /nfs/dbraw/zinc/04/07/18/599040718.db2.gz LDJHFWYSLUYFCA-UHFFFAOYSA-N -1 3 395.373 3.264 20 0 GGADHM CC(=O)Nc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000819826604 599040719 /nfs/dbraw/zinc/04/07/19/599040719.db2.gz LDJHFWYSLUYFCA-UHFFFAOYSA-N -1 3 395.373 3.264 20 0 GGADHM CCOCc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736624613 599040920 /nfs/dbraw/zinc/04/09/20/599040920.db2.gz AIENUVBXXQULCC-UHFFFAOYSA-N -1 3 378.358 3.429 20 0 GGADHM CCOCc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736624613 599040923 /nfs/dbraw/zinc/04/09/23/599040923.db2.gz AIENUVBXXQULCC-UHFFFAOYSA-N -1 3 378.358 3.429 20 0 GGADHM O[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738384511 599043178 /nfs/dbraw/zinc/04/31/78/599043178.db2.gz ROMZTFITAUZJLR-NSHDSACASA-N -1 3 384.749 3.079 20 0 GGADHM O[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738384511 599043181 /nfs/dbraw/zinc/04/31/81/599043181.db2.gz ROMZTFITAUZJLR-NSHDSACASA-N -1 3 384.749 3.079 20 0 GGADHM CO[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccc(Cl)cc1 ZINC000821676559 599045910 /nfs/dbraw/zinc/04/59/10/599045910.db2.gz AQGVHVPIMDYUHN-KRWDZBQOSA-N -1 3 380.839 3.290 20 0 GGADHM CO[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccc(Cl)cc1 ZINC000821676559 599045913 /nfs/dbraw/zinc/04/59/13/599045913.db2.gz AQGVHVPIMDYUHN-KRWDZBQOSA-N -1 3 380.839 3.290 20 0 GGADHM Cc1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737275468 599047091 /nfs/dbraw/zinc/04/70/91/599047091.db2.gz VZNSDKVRBUBWOU-NXOUGTEYSA-N -1 3 389.463 3.201 20 0 GGADHM Cc1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737275468 599047095 /nfs/dbraw/zinc/04/70/95/599047095.db2.gz VZNSDKVRBUBWOU-NXOUGTEYSA-N -1 3 389.463 3.201 20 0 GGADHM CCn1cncc1[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736722229 599051431 /nfs/dbraw/zinc/05/14/31/599051431.db2.gz NIRHJFVCGVPJAQ-LBPRGKRZSA-N -1 3 392.389 3.229 20 0 GGADHM CCn1cncc1[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736722229 599051434 /nfs/dbraw/zinc/05/14/34/599051434.db2.gz NIRHJFVCGVPJAQ-LBPRGKRZSA-N -1 3 392.389 3.229 20 0 GGADHM COc1ccccc1OCCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737151026 599054966 /nfs/dbraw/zinc/05/49/66/599054966.db2.gz DVWSPBCFHCIWJR-UHFFFAOYSA-N -1 3 394.357 3.170 20 0 GGADHM COc1ccccc1OCCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737151026 599054969 /nfs/dbraw/zinc/05/49/69/599054969.db2.gz DVWSPBCFHCIWJR-UHFFFAOYSA-N -1 3 394.357 3.170 20 0 GGADHM C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736154760 599056034 /nfs/dbraw/zinc/05/60/34/599056034.db2.gz BRLJEXUCFGCJJI-CYBMUJFWSA-N -1 3 391.387 3.205 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2OCCc3ccccc32)n1 ZINC000737636476 599057632 /nfs/dbraw/zinc/05/76/32/599057632.db2.gz UGGLLIDTQHLDOS-ZDUSSCGKSA-N -1 3 376.342 3.006 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2OCCc3ccccc32)n1 ZINC000737636476 599057635 /nfs/dbraw/zinc/05/76/35/599057635.db2.gz UGGLLIDTQHLDOS-ZDUSSCGKSA-N -1 3 376.342 3.006 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC000738237146 599060212 /nfs/dbraw/zinc/06/02/12/599060212.db2.gz YABKAEFJGGQNOE-IBGZPJMESA-N -1 3 395.438 3.104 20 0 GGADHM COc1cccc(O[C@@H](C)CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000821872742 599062306 /nfs/dbraw/zinc/06/23/06/599062306.db2.gz PBGXAXQGZOHFSK-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM COc1cccc(O[C@@H](C)CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000821872742 599062309 /nfs/dbraw/zinc/06/23/09/599062309.db2.gz PBGXAXQGZOHFSK-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191329 599062663 /nfs/dbraw/zinc/06/26/63/599062663.db2.gz IBPGLSPRJONWNC-MRVPVSSYSA-N -1 3 379.367 3.403 20 0 GGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191329 599062665 /nfs/dbraw/zinc/06/26/65/599062665.db2.gz IBPGLSPRJONWNC-MRVPVSSYSA-N -1 3 379.367 3.403 20 0 GGADHM c1ccc(COC[C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000823787939 599063897 /nfs/dbraw/zinc/06/38/97/599063897.db2.gz RFJSZNJONSKYTB-QGZVFWFLSA-N -1 3 386.459 3.458 20 0 GGADHM c1ccc(COC[C@@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000823787939 599063898 /nfs/dbraw/zinc/06/38/98/599063898.db2.gz RFJSZNJONSKYTB-QGZVFWFLSA-N -1 3 386.459 3.458 20 0 GGADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)Oc1ccccc1Cl ZINC000820275429 599064001 /nfs/dbraw/zinc/06/40/01/599064001.db2.gz QTQOXURPUUIIMW-GFCCVEGCSA-N -1 3 380.839 3.370 20 0 GGADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)Oc1ccccc1Cl ZINC000820275429 599064004 /nfs/dbraw/zinc/06/40/04/599064004.db2.gz QTQOXURPUUIIMW-GFCCVEGCSA-N -1 3 380.839 3.370 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)NCc1cccc(Cl)c1 ZINC000737947688 599064579 /nfs/dbraw/zinc/06/45/79/599064579.db2.gz NTDAGBKGBUBZQO-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)NCc1cccc(Cl)c1 ZINC000737947688 599064582 /nfs/dbraw/zinc/06/45/82/599064582.db2.gz NTDAGBKGBUBZQO-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM Cc1ccc(N2CCC[C@@H](Nc3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000822242687 599065327 /nfs/dbraw/zinc/06/53/27/599065327.db2.gz ULIFIOMGHPOKBO-MRXNPFEDSA-N -1 3 375.480 3.140 20 0 GGADHM Cc1ccc(N2CCC[C@@H](Nc3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000822242687 599065329 /nfs/dbraw/zinc/06/53/29/599065329.db2.gz ULIFIOMGHPOKBO-MRXNPFEDSA-N -1 3 375.480 3.140 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000737946334 599065835 /nfs/dbraw/zinc/06/58/35/599065835.db2.gz BABYHMNWIYJBQV-WFASDCNBSA-N -1 3 375.473 3.279 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000737946334 599065837 /nfs/dbraw/zinc/06/58/37/599065837.db2.gz BABYHMNWIYJBQV-WFASDCNBSA-N -1 3 375.473 3.279 20 0 GGADHM O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737785206 599068574 /nfs/dbraw/zinc/06/85/74/599068574.db2.gz OIPXCTMLOVRLGM-SJLPKXTDSA-N -1 3 395.413 3.440 20 0 GGADHM O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737785206 599068576 /nfs/dbraw/zinc/06/85/76/599068576.db2.gz OIPXCTMLOVRLGM-SJLPKXTDSA-N -1 3 395.413 3.440 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000735655552 599069674 /nfs/dbraw/zinc/06/96/74/599069674.db2.gz QEMDGWUNPBXSOO-QVKFZJNVSA-N -1 3 392.463 3.102 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000735655552 599069678 /nfs/dbraw/zinc/06/96/78/599069678.db2.gz QEMDGWUNPBXSOO-QVKFZJNVSA-N -1 3 392.463 3.102 20 0 GGADHM Fc1ccc(-n2ccc(CCNc3cc(Cl)ccc3-c3nnn[n-]3)n2)cc1 ZINC000822762176 599069779 /nfs/dbraw/zinc/06/97/79/599069779.db2.gz ZHFGVAPSNMSWIW-UHFFFAOYSA-N -1 3 383.818 3.500 20 0 GGADHM Fc1ccc(-n2ccc(CCNc3cc(Cl)ccc3-c3nn[n-]n3)n2)cc1 ZINC000822762176 599069782 /nfs/dbraw/zinc/06/97/82/599069782.db2.gz ZHFGVAPSNMSWIW-UHFFFAOYSA-N -1 3 383.818 3.500 20 0 GGADHM CC(C)CC(=O)NCCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000735757289 599069852 /nfs/dbraw/zinc/06/98/52/599069852.db2.gz AEAFMNLPHVTBHD-UHFFFAOYSA-N -1 3 398.492 3.086 20 0 GGADHM CC(C)CC(=O)NCCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000735757289 599069855 /nfs/dbraw/zinc/06/98/55/599069855.db2.gz AEAFMNLPHVTBHD-UHFFFAOYSA-N -1 3 398.492 3.086 20 0 GGADHM Cc1nc(-c2cccnc2)nc(NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822422893 599070306 /nfs/dbraw/zinc/07/03/06/599070306.db2.gz FQXAYTOSIQDSGY-UHFFFAOYSA-N -1 3 376.399 3.087 20 0 GGADHM Cc1nc(-c2cccnc2)nc(NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822422893 599070310 /nfs/dbraw/zinc/07/03/10/599070310.db2.gz FQXAYTOSIQDSGY-UHFFFAOYSA-N -1 3 376.399 3.087 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000736634406 599070546 /nfs/dbraw/zinc/07/05/46/599070546.db2.gz HAMDYXUUYHWSDX-STQMWFEESA-N -1 3 385.374 3.286 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000736634406 599070549 /nfs/dbraw/zinc/07/05/49/599070549.db2.gz HAMDYXUUYHWSDX-STQMWFEESA-N -1 3 385.374 3.286 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(-c3cnn(C)c3)c2)c1-c1nnn[n-]1 ZINC000736675321 599072438 /nfs/dbraw/zinc/07/24/38/599072438.db2.gz KLXLQVRPOSGXLF-UHFFFAOYSA-N -1 3 393.476 3.452 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(-c3cnn(C)c3)c2)c1-c1nn[n-]n1 ZINC000736675321 599072441 /nfs/dbraw/zinc/07/24/41/599072441.db2.gz KLXLQVRPOSGXLF-UHFFFAOYSA-N -1 3 393.476 3.452 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)c1-c1nnn[n-]1 ZINC000736670412 599072703 /nfs/dbraw/zinc/07/27/03/599072703.db2.gz PCGHVDUMTAQWCE-JLTOFOAXSA-N -1 3 395.488 3.478 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)c1-c1nn[n-]n1 ZINC000736670412 599072707 /nfs/dbraw/zinc/07/27/07/599072707.db2.gz PCGHVDUMTAQWCE-JLTOFOAXSA-N -1 3 395.488 3.478 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736700054 599078413 /nfs/dbraw/zinc/07/84/13/599078413.db2.gz PHRFJOHZOBAJBK-ZDUSSCGKSA-N -1 3 384.509 3.346 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736700054 599078416 /nfs/dbraw/zinc/07/84/16/599078416.db2.gz PHRFJOHZOBAJBK-ZDUSSCGKSA-N -1 3 384.509 3.346 20 0 GGADHM C[C@H](CCC1CCCCC1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735983942 599081886 /nfs/dbraw/zinc/08/18/86/599081886.db2.gz AHFPJYSKUUCAJH-CQSZACIVSA-N -1 3 377.514 3.035 20 0 GGADHM C[C@H](CCC1CCCCC1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735983942 599081888 /nfs/dbraw/zinc/08/18/88/599081888.db2.gz AHFPJYSKUUCAJH-CQSZACIVSA-N -1 3 377.514 3.035 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819946743 599082053 /nfs/dbraw/zinc/08/20/53/599082053.db2.gz OYDBLNAEWULTHV-UHFFFAOYSA-N -1 3 386.843 3.483 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819946743 599082056 /nfs/dbraw/zinc/08/20/56/599082056.db2.gz OYDBLNAEWULTHV-UHFFFAOYSA-N -1 3 386.843 3.483 20 0 GGADHM Cc1ccc([C@H]2CCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737332412 599083292 /nfs/dbraw/zinc/08/32/92/599083292.db2.gz VKXJXPSQQQRESC-GOSISDBHSA-N -1 3 377.448 3.308 20 0 GGADHM Cc1ccc([C@H]2CCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737332412 599083293 /nfs/dbraw/zinc/08/32/93/599083293.db2.gz VKXJXPSQQQRESC-GOSISDBHSA-N -1 3 377.448 3.308 20 0 GGADHM Cc1nc(SCC(=O)N[C@@H](C)C2CCCCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483175 599083517 /nfs/dbraw/zinc/08/35/17/599083517.db2.gz LZYQUVCEBHPGSW-AWEZNQCLSA-N -1 3 388.541 3.364 20 0 GGADHM Cc1nc(SCC(=O)N[C@@H](C)C2CCCCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483175 599083520 /nfs/dbraw/zinc/08/35/20/599083520.db2.gz LZYQUVCEBHPGSW-AWEZNQCLSA-N -1 3 388.541 3.364 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736684603 599084369 /nfs/dbraw/zinc/08/43/69/599084369.db2.gz HXVZCNZWBLROKP-KRWDZBQOSA-N -1 3 381.436 3.155 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736684603 599084372 /nfs/dbraw/zinc/08/43/72/599084372.db2.gz HXVZCNZWBLROKP-KRWDZBQOSA-N -1 3 381.436 3.155 20 0 GGADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1c(C)nn(C)c1C ZINC000820926984 599084773 /nfs/dbraw/zinc/08/47/73/599084773.db2.gz YJMCLGNLBDTDPO-NSHDSACASA-N -1 3 380.378 3.194 20 0 GGADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000820926984 599084777 /nfs/dbraw/zinc/08/47/77/599084777.db2.gz YJMCLGNLBDTDPO-NSHDSACASA-N -1 3 380.378 3.194 20 0 GGADHM NC(=O)[C@H](Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735970 599085758 /nfs/dbraw/zinc/08/57/58/599085758.db2.gz FUUIMVLOYJNAQJ-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM NC(=O)[C@H](Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735970 599085761 /nfs/dbraw/zinc/08/57/61/599085761.db2.gz FUUIMVLOYJNAQJ-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000737333120 599085824 /nfs/dbraw/zinc/08/58/24/599085824.db2.gz ZWBRRVBMGJYOEM-ZBFHGGJFSA-N -1 3 381.436 3.289 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000737333120 599085827 /nfs/dbraw/zinc/08/58/27/599085827.db2.gz ZWBRRVBMGJYOEM-ZBFHGGJFSA-N -1 3 381.436 3.289 20 0 GGADHM CCC(CC)(CC)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736336038 599088456 /nfs/dbraw/zinc/08/84/56/599088456.db2.gz YMHSERYKZOCXHY-UHFFFAOYSA-N -1 3 376.530 3.364 20 0 GGADHM CCC(CC)(CC)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736336038 599088458 /nfs/dbraw/zinc/08/84/58/599088458.db2.gz YMHSERYKZOCXHY-UHFFFAOYSA-N -1 3 376.530 3.364 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736235354 599090018 /nfs/dbraw/zinc/09/00/18/599090018.db2.gz NQAQWQXIKAYBAA-CLCXKQKWSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736235354 599090019 /nfs/dbraw/zinc/09/00/19/599090019.db2.gz NQAQWQXIKAYBAA-CLCXKQKWSA-N -1 3 377.448 3.039 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737073740 599090313 /nfs/dbraw/zinc/09/03/13/599090313.db2.gz SNIGQKGLDLXBMJ-SAAWKEMMSA-N -1 3 377.448 3.199 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737073740 599090316 /nfs/dbraw/zinc/09/03/16/599090316.db2.gz SNIGQKGLDLXBMJ-SAAWKEMMSA-N -1 3 377.448 3.199 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000735735658 599094991 /nfs/dbraw/zinc/09/49/91/599094991.db2.gz PPUHYHFHAGWEBG-LNLFQRSKSA-N -1 3 383.496 3.355 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000735735658 599094995 /nfs/dbraw/zinc/09/49/95/599094995.db2.gz PPUHYHFHAGWEBG-LNLFQRSKSA-N -1 3 383.496 3.355 20 0 GGADHM O=C1C[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000823518896 599096713 /nfs/dbraw/zinc/09/67/13/599096713.db2.gz BCEUVYPCCLOBMG-LESCRADOSA-N -1 3 394.866 3.089 20 0 GGADHM O=C1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000823518896 599096716 /nfs/dbraw/zinc/09/67/16/599096716.db2.gz BCEUVYPCCLOBMG-LESCRADOSA-N -1 3 394.866 3.089 20 0 GGADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000736467564 599097745 /nfs/dbraw/zinc/09/77/45/599097745.db2.gz GPFJUOYAQAPPNN-QZTJIDSGSA-N -1 3 398.511 3.242 20 0 GGADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000736467564 599097748 /nfs/dbraw/zinc/09/77/48/599097748.db2.gz GPFJUOYAQAPPNN-QZTJIDSGSA-N -1 3 398.511 3.242 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCCC2 ZINC000736618533 599098122 /nfs/dbraw/zinc/09/81/22/599098122.db2.gz URRANCGBGGVGGU-FUTHQCHMSA-N -1 3 395.507 3.466 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCCC2 ZINC000736618533 599098127 /nfs/dbraw/zinc/09/81/27/599098127.db2.gz URRANCGBGGVGGU-FUTHQCHMSA-N -1 3 395.507 3.466 20 0 GGADHM Cc1cccc(-c2cccc(CN[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737378372 599098194 /nfs/dbraw/zinc/09/81/94/599098194.db2.gz AOOCBUFOXZBICA-OAQYLSRUSA-N -1 3 398.470 3.158 20 0 GGADHM O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737783225 599100550 /nfs/dbraw/zinc/10/05/50/599100550.db2.gz JCEYNVZUNZQJSP-MOPGFXCFSA-N -1 3 394.523 3.122 20 0 GGADHM O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737783225 599100552 /nfs/dbraw/zinc/10/05/52/599100552.db2.gz JCEYNVZUNZQJSP-MOPGFXCFSA-N -1 3 394.523 3.122 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737329398 599102272 /nfs/dbraw/zinc/10/22/72/599102272.db2.gz JLPPYNUECNQZKE-IBGZPJMESA-N -1 3 376.464 3.341 20 0 GGADHM CC(C)(C)Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000735619971 599106117 /nfs/dbraw/zinc/10/61/17/599106117.db2.gz ZTRREVCDTGVIFI-UHFFFAOYSA-N -1 3 385.497 3.050 20 0 GGADHM CC(C)(C)Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000735619971 599106120 /nfs/dbraw/zinc/10/61/20/599106120.db2.gz ZTRREVCDTGVIFI-UHFFFAOYSA-N -1 3 385.497 3.050 20 0 GGADHM Cc1c(CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)oc2ccccc12 ZINC000737212499 599106788 /nfs/dbraw/zinc/10/67/88/599106788.db2.gz QZLHWNSABFIKHS-UHFFFAOYSA-N -1 3 376.420 3.263 20 0 GGADHM Cc1c(CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)oc2ccccc12 ZINC000737212499 599106789 /nfs/dbraw/zinc/10/67/89/599106789.db2.gz QZLHWNSABFIKHS-UHFFFAOYSA-N -1 3 376.420 3.263 20 0 GGADHM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cc1-c1nnn[n-]1 ZINC000821787156 599116546 /nfs/dbraw/zinc/11/65/46/599116546.db2.gz PBFWFPSSLMBSLP-LJQANCHMSA-N -1 3 378.436 3.098 20 0 GGADHM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cc1-c1nn[n-]n1 ZINC000821787156 599116549 /nfs/dbraw/zinc/11/65/49/599116549.db2.gz PBFWFPSSLMBSLP-LJQANCHMSA-N -1 3 378.436 3.098 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1OC(F)F ZINC000737410835 599122740 /nfs/dbraw/zinc/12/27/40/599122740.db2.gz UKFLRAWJJZPXGV-UHFFFAOYSA-N -1 3 382.374 3.359 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1OC(F)F ZINC000737410835 599122741 /nfs/dbraw/zinc/12/27/41/599122741.db2.gz UKFLRAWJJZPXGV-UHFFFAOYSA-N -1 3 382.374 3.359 20 0 GGADHM Cc1cc(COC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)on1 ZINC000737263456 599129946 /nfs/dbraw/zinc/12/99/46/599129946.db2.gz JYVSVXZLOAOVAD-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1cc(COC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)on1 ZINC000737263456 599129949 /nfs/dbraw/zinc/12/99/49/599129949.db2.gz JYVSVXZLOAOVAD-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM c1ccc(CCc2nnc(SCCOc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000823779536 599134014 /nfs/dbraw/zinc/13/40/14/599134014.db2.gz FXLPIUSVFZUNEU-UHFFFAOYSA-N -1 3 394.460 3.206 20 0 GGADHM C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000819865442 599136380 /nfs/dbraw/zinc/13/63/80/599136380.db2.gz FYVKTDXDIJVFSI-VIFPVBQESA-N -1 3 392.282 3.111 20 0 GGADHM C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000819865442 599136382 /nfs/dbraw/zinc/13/63/82/599136382.db2.gz FYVKTDXDIJVFSI-VIFPVBQESA-N -1 3 392.282 3.111 20 0 GGADHM C[C@H](NC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820396295 599137583 /nfs/dbraw/zinc/13/75/83/599137583.db2.gz DYKDZYGJSYTKKY-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@H](NC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820396295 599137586 /nfs/dbraw/zinc/13/75/86/599137586.db2.gz DYKDZYGJSYTKKY-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233252 599140176 /nfs/dbraw/zinc/14/01/76/599140176.db2.gz LHSIQSDKXPHQPG-PMACEKPBSA-N -1 3 391.475 3.301 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233252 599140179 /nfs/dbraw/zinc/14/01/79/599140179.db2.gz LHSIQSDKXPHQPG-PMACEKPBSA-N -1 3 391.475 3.301 20 0 GGADHM CCCOc1ccc(CCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821133890 599140473 /nfs/dbraw/zinc/14/04/73/599140473.db2.gz JLYKBTMWRWEWBN-UHFFFAOYSA-N -1 3 379.464 3.247 20 0 GGADHM CCCOc1ccc(CCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821133890 599140475 /nfs/dbraw/zinc/14/04/75/599140475.db2.gz JLYKBTMWRWEWBN-UHFFFAOYSA-N -1 3 379.464 3.247 20 0 GGADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822950611 599142839 /nfs/dbraw/zinc/14/28/39/599142839.db2.gz VBOKXBJQGUFSOV-UHFFFAOYSA-N -1 3 394.435 3.199 20 0 GGADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822950611 599142840 /nfs/dbraw/zinc/14/28/40/599142840.db2.gz VBOKXBJQGUFSOV-UHFFFAOYSA-N -1 3 394.435 3.199 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@H](c3ccccc3)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737551475 599145748 /nfs/dbraw/zinc/14/57/48/599145748.db2.gz HOSNRVVGQUFLAA-GUYCJALGSA-N -1 3 394.479 3.141 20 0 GGADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000819857074 599145940 /nfs/dbraw/zinc/14/59/40/599145940.db2.gz OOBSAQKQWJNQQR-SECBINFHSA-N -1 3 392.282 3.457 20 0 GGADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000819857074 599145941 /nfs/dbraw/zinc/14/59/41/599145941.db2.gz OOBSAQKQWJNQQR-SECBINFHSA-N -1 3 392.282 3.457 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCSC[C@H]1c1ccccc1 ZINC000737291233 599146479 /nfs/dbraw/zinc/14/64/79/599146479.db2.gz JJFXRFDMFTWUBR-KRWDZBQOSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCSC[C@H]1c1ccccc1 ZINC000737291233 599146482 /nfs/dbraw/zinc/14/64/82/599146482.db2.gz JJFXRFDMFTWUBR-KRWDZBQOSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1cc2c(cc1C)O[C@H](C(=O)N(CC(C)C)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822212671 599147428 /nfs/dbraw/zinc/14/74/28/599147428.db2.gz BHQXBRZCWLBNQY-FQEVSTJZSA-N -1 3 391.475 3.476 20 0 GGADHM Cc1cc2c(cc1C)O[C@H](C(=O)N(CC(C)C)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822212671 599147429 /nfs/dbraw/zinc/14/74/29/599147429.db2.gz BHQXBRZCWLBNQY-FQEVSTJZSA-N -1 3 391.475 3.476 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCSC[C@H]1c1ccccc1 ZINC000738098708 599148571 /nfs/dbraw/zinc/14/85/71/599148571.db2.gz AFNKDZKRCHAGRF-KRWDZBQOSA-N -1 3 398.467 3.006 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCSC[C@H]1c1ccccc1 ZINC000738098708 599148574 /nfs/dbraw/zinc/14/85/74/599148574.db2.gz AFNKDZKRCHAGRF-KRWDZBQOSA-N -1 3 398.467 3.006 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822233336 599151760 /nfs/dbraw/zinc/15/17/60/599151760.db2.gz MUDNUJXZFJSVTA-YJBOKZPZSA-N -1 3 381.411 3.421 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822233336 599151762 /nfs/dbraw/zinc/15/17/62/599151762.db2.gz MUDNUJXZFJSVTA-YJBOKZPZSA-N -1 3 381.411 3.421 20 0 GGADHM O=C(/C=C/C1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822924107 599151664 /nfs/dbraw/zinc/15/16/64/599151664.db2.gz XLKIGUVKHDZPCZ-RMKNXTFCSA-N -1 3 379.395 3.490 20 0 GGADHM O=C(/C=C/C1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822924107 599151667 /nfs/dbraw/zinc/15/16/67/599151667.db2.gz XLKIGUVKHDZPCZ-RMKNXTFCSA-N -1 3 379.395 3.490 20 0 GGADHM CCCOCCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736488560 599154331 /nfs/dbraw/zinc/15/43/31/599154331.db2.gz OVWXXUJVLQNJHN-UHFFFAOYSA-N -1 3 382.420 3.029 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000821766130 599156188 /nfs/dbraw/zinc/15/61/88/599156188.db2.gz SBBAIUMKVPKZJR-GFCCVEGCSA-N -1 3 377.408 3.022 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000821766130 599156191 /nfs/dbraw/zinc/15/61/91/599156191.db2.gz SBBAIUMKVPKZJR-GFCCVEGCSA-N -1 3 377.408 3.022 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000737002597 599160222 /nfs/dbraw/zinc/16/02/22/599160222.db2.gz OVVDDCORHRXYSZ-HNNXBMFYSA-N -1 3 397.454 3.175 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000737002597 599160225 /nfs/dbraw/zinc/16/02/25/599160225.db2.gz OVVDDCORHRXYSZ-HNNXBMFYSA-N -1 3 397.454 3.175 20 0 GGADHM Cn1c2ccccc2c(Cl)c1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822596851 599161706 /nfs/dbraw/zinc/16/17/06/599161706.db2.gz WRWHBOFJKSMCEK-UHFFFAOYSA-N -1 3 384.802 3.081 20 0 GGADHM Cn1c2ccccc2c(Cl)c1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822596851 599161707 /nfs/dbraw/zinc/16/17/07/599161707.db2.gz WRWHBOFJKSMCEK-UHFFFAOYSA-N -1 3 384.802 3.081 20 0 GGADHM CC(C)=CCOc1cccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820005429 599163050 /nfs/dbraw/zinc/16/30/50/599163050.db2.gz QMVARFMTPRKMOX-UHFFFAOYSA-N -1 3 381.411 3.281 20 0 GGADHM CC(C)=CCOc1cccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820005429 599163052 /nfs/dbraw/zinc/16/30/52/599163052.db2.gz QMVARFMTPRKMOX-UHFFFAOYSA-N -1 3 381.411 3.281 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736351922 599166762 /nfs/dbraw/zinc/16/67/62/599166762.db2.gz JBNKPVGHLGXSMR-OAHLLOKOSA-N -1 3 385.855 3.036 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736351922 599166765 /nfs/dbraw/zinc/16/67/65/599166765.db2.gz JBNKPVGHLGXSMR-OAHLLOKOSA-N -1 3 385.855 3.036 20 0 GGADHM CCc1ccc(CN(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736693114 599166938 /nfs/dbraw/zinc/16/69/38/599166938.db2.gz XURQUDGGNUFTAQ-UHFFFAOYSA-N -1 3 385.468 3.319 20 0 GGADHM CCc1ccc(CN(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736693114 599166940 /nfs/dbraw/zinc/16/69/40/599166940.db2.gz XURQUDGGNUFTAQ-UHFFFAOYSA-N -1 3 385.468 3.319 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(-c2ccc(Cl)cc2)on1 ZINC000823238917 599167060 /nfs/dbraw/zinc/16/70/60/599167060.db2.gz TUXPJLMJSULDPE-UHFFFAOYSA-N -1 3 398.785 3.244 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(-c2ccc(Cl)cc2)on1 ZINC000823238917 599167061 /nfs/dbraw/zinc/16/70/61/599167061.db2.gz TUXPJLMJSULDPE-UHFFFAOYSA-N -1 3 398.785 3.244 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ncc(-c2ccccc2C)o1 ZINC000737418744 599167779 /nfs/dbraw/zinc/16/77/79/599167779.db2.gz QDJIPDFZRKZYEF-UHFFFAOYSA-N -1 3 398.430 3.445 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ncc(-c2ccccc2C)o1 ZINC000737418744 599167781 /nfs/dbraw/zinc/16/77/81/599167781.db2.gz QDJIPDFZRKZYEF-UHFFFAOYSA-N -1 3 398.430 3.445 20 0 GGADHM Cc1cc(Br)ccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822162292 599169219 /nfs/dbraw/zinc/16/92/19/599169219.db2.gz ZWUNEBFXJMLHRD-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1cc(Br)ccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822162292 599169222 /nfs/dbraw/zinc/16/92/22/599169222.db2.gz ZWUNEBFXJMLHRD-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM CSc1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)nc1 ZINC000737192358 599169326 /nfs/dbraw/zinc/16/93/26/599169326.db2.gz XNQSFFAIVRYXGB-UHFFFAOYSA-N -1 3 399.505 3.230 20 0 GGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820683472 599170656 /nfs/dbraw/zinc/17/06/56/599170656.db2.gz BMMYCBFSFFVCFA-SKDZVZGDSA-N -1 3 389.475 3.099 20 0 GGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820683472 599170657 /nfs/dbraw/zinc/17/06/57/599170657.db2.gz BMMYCBFSFFVCFA-SKDZVZGDSA-N -1 3 389.475 3.099 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000819965410 599170978 /nfs/dbraw/zinc/17/09/78/599170978.db2.gz FRZCVQUCMYIKMA-FNORWQNLSA-N -1 3 386.456 3.089 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000819965410 599170980 /nfs/dbraw/zinc/17/09/80/599170980.db2.gz FRZCVQUCMYIKMA-FNORWQNLSA-N -1 3 386.456 3.089 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(OC2CCCC2)cc1 ZINC000823241835 599172993 /nfs/dbraw/zinc/17/29/93/599172993.db2.gz HKRUYWZIKPWIKY-UHFFFAOYSA-N -1 3 381.411 3.257 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(OC2CCCC2)cc1 ZINC000823241835 599172995 /nfs/dbraw/zinc/17/29/95/599172995.db2.gz HKRUYWZIKPWIKY-UHFFFAOYSA-N -1 3 381.411 3.257 20 0 GGADHM CC(C)c1ccc(NC(=S)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735928167 599172982 /nfs/dbraw/zinc/17/29/82/599172982.db2.gz HGYSOKGMIRFPKG-UHFFFAOYSA-N -1 3 382.493 3.356 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000735551027 599173015 /nfs/dbraw/zinc/17/30/15/599173015.db2.gz OQLMSRQQHHATFM-XHDPSFHLSA-N -1 3 386.843 3.277 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000735551027 599173016 /nfs/dbraw/zinc/17/30/16/599173016.db2.gz OQLMSRQQHHATFM-XHDPSFHLSA-N -1 3 386.843 3.277 20 0 GGADHM CCc1sc(=O)n(CCOc2cccc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC000736712996 599173196 /nfs/dbraw/zinc/17/31/96/599173196.db2.gz JUXOUTKUSSGULQ-UHFFFAOYSA-N -1 3 393.472 3.398 20 0 GGADHM CCc1sc(=O)n(CCOc2cccc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC000736712996 599173197 /nfs/dbraw/zinc/17/31/97/599173197.db2.gz JUXOUTKUSSGULQ-UHFFFAOYSA-N -1 3 393.472 3.398 20 0 GGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820534623 599173368 /nfs/dbraw/zinc/17/33/68/599173368.db2.gz LWJYYUXYONHGOR-ZDUSSCGKSA-N -1 3 383.427 3.213 20 0 GGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820534623 599173369 /nfs/dbraw/zinc/17/33/69/599173369.db2.gz LWJYYUXYONHGOR-ZDUSSCGKSA-N -1 3 383.427 3.213 20 0 GGADHM Cc1noc(-c2ccccc2C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)n1 ZINC000737532564 599178094 /nfs/dbraw/zinc/17/80/94/599178094.db2.gz CEQHYMHXVVBLIW-UHFFFAOYSA-N -1 3 381.421 3.156 20 0 GGADHM Cc1noc(-c2ccccc2C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)n1 ZINC000737532564 599178098 /nfs/dbraw/zinc/17/80/98/599178098.db2.gz CEQHYMHXVVBLIW-UHFFFAOYSA-N -1 3 381.421 3.156 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1C ZINC000737560231 599178665 /nfs/dbraw/zinc/17/86/65/599178665.db2.gz DZDXHADXJYSNCZ-QWHCGFSZSA-N -1 3 397.460 3.058 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1C ZINC000737560231 599178668 /nfs/dbraw/zinc/17/86/68/599178668.db2.gz DZDXHADXJYSNCZ-QWHCGFSZSA-N -1 3 397.460 3.058 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1c1ccco1 ZINC000738085683 599182187 /nfs/dbraw/zinc/18/21/87/599182187.db2.gz LBIMEAIJOYCCFG-INIZCTEOSA-N -1 3 398.492 3.240 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1c1ccco1 ZINC000738085683 599182190 /nfs/dbraw/zinc/18/21/90/599182190.db2.gz LBIMEAIJOYCCFG-INIZCTEOSA-N -1 3 398.492 3.240 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000738146495 599180992 /nfs/dbraw/zinc/18/09/92/599180992.db2.gz YHSGMXCVBDJZEZ-ZIAGYGMSSA-N -1 3 397.822 3.034 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000738146495 599180994 /nfs/dbraw/zinc/18/09/94/599180994.db2.gz YHSGMXCVBDJZEZ-ZIAGYGMSSA-N -1 3 397.822 3.034 20 0 GGADHM COc1ccc(CCCCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821790727 599181047 /nfs/dbraw/zinc/18/10/47/599181047.db2.gz RWDOXUZMTJRAGA-UHFFFAOYSA-N -1 3 397.454 3.434 20 0 GGADHM COc1ccc(CCCCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821790727 599181050 /nfs/dbraw/zinc/18/10/50/599181050.db2.gz RWDOXUZMTJRAGA-UHFFFAOYSA-N -1 3 397.454 3.434 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccco1 ZINC000738085684 599182222 /nfs/dbraw/zinc/18/22/22/599182222.db2.gz LBIMEAIJOYCCFG-MRXNPFEDSA-N -1 3 398.492 3.240 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccco1 ZINC000738085684 599182223 /nfs/dbraw/zinc/18/22/23/599182223.db2.gz LBIMEAIJOYCCFG-MRXNPFEDSA-N -1 3 398.492 3.240 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000607904409 599181686 /nfs/dbraw/zinc/18/16/86/599181686.db2.gz BTNPSHOIKMMCMZ-LLVKDONJSA-N -1 3 375.354 3.305 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000607904409 599181688 /nfs/dbraw/zinc/18/16/88/599181688.db2.gz BTNPSHOIKMMCMZ-LLVKDONJSA-N -1 3 375.354 3.305 20 0 GGADHM CCO[C@H](C)c1nc(CN(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000821346136 599183777 /nfs/dbraw/zinc/18/37/77/599183777.db2.gz DAMLCQUXSTUDRB-ASCRHOAZSA-N -1 3 398.492 3.093 20 0 GGADHM CCO[C@H](C)c1nc(CN(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000821346136 599183779 /nfs/dbraw/zinc/18/37/79/599183779.db2.gz DAMLCQUXSTUDRB-ASCRHOAZSA-N -1 3 398.492 3.093 20 0 GGADHM O=C(CCCCC(=O)c1ccccc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822955374 599184499 /nfs/dbraw/zinc/18/44/99/599184499.db2.gz RZALMBOYYDCSPL-UHFFFAOYSA-N -1 3 381.411 3.065 20 0 GGADHM O=C(CCCCC(=O)c1ccccc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822955374 599184502 /nfs/dbraw/zinc/18/45/02/599184502.db2.gz RZALMBOYYDCSPL-UHFFFAOYSA-N -1 3 381.411 3.065 20 0 GGADHM CS[C@@H]1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821950797 599185833 /nfs/dbraw/zinc/18/58/33/599185833.db2.gz QJMSIWMXAPOSPT-GOEBONIOSA-N -1 3 399.476 3.053 20 0 GGADHM CS[C@@H]1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821950797 599185835 /nfs/dbraw/zinc/18/58/35/599185835.db2.gz QJMSIWMXAPOSPT-GOEBONIOSA-N -1 3 399.476 3.053 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000821346143 599183226 /nfs/dbraw/zinc/18/32/26/599183226.db2.gz DAMLCQUXSTUDRB-XPSMFNQNSA-N -1 3 398.492 3.093 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000821346143 599183228 /nfs/dbraw/zinc/18/32/28/599183228.db2.gz DAMLCQUXSTUDRB-XPSMFNQNSA-N -1 3 398.492 3.093 20 0 GGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735588962 599189082 /nfs/dbraw/zinc/18/90/82/599189082.db2.gz HNGOYNNLOQWAJM-UHFFFAOYSA-N -1 3 385.449 3.175 20 0 GGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735588962 599189085 /nfs/dbraw/zinc/18/90/85/599189085.db2.gz HNGOYNNLOQWAJM-UHFFFAOYSA-N -1 3 385.449 3.175 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Br)ccc1C ZINC000737062198 599187209 /nfs/dbraw/zinc/18/72/09/599187209.db2.gz JFYHURYNEIILAQ-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Br)ccc1C ZINC000737062198 599187211 /nfs/dbraw/zinc/18/72/11/599187211.db2.gz JFYHURYNEIILAQ-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C[C@H](C)S1 ZINC000820744347 599187642 /nfs/dbraw/zinc/18/76/42/599187642.db2.gz YBMCKUOUWKZGQN-STQMWFEESA-N -1 3 399.476 3.005 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C[C@H](C)S1 ZINC000820744347 599187644 /nfs/dbraw/zinc/18/76/44/599187644.db2.gz YBMCKUOUWKZGQN-STQMWFEESA-N -1 3 399.476 3.005 20 0 GGADHM O=C(NC[C@@H]1CCCO1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738050800 599194032 /nfs/dbraw/zinc/19/40/32/599194032.db2.gz VPQLAOMCXXKEIE-AWEZNQCLSA-N -1 3 399.838 3.221 20 0 GGADHM Cc1nonc1NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737547033 599195354 /nfs/dbraw/zinc/19/53/54/599195354.db2.gz HOJRQNOUQZPZAO-UHFFFAOYSA-N -1 3 397.782 3.256 20 0 GGADHM O=C(Nc1nncs1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738207316 599196548 /nfs/dbraw/zinc/19/65/48/599196548.db2.gz GVBKZTAMPSTPJX-UHFFFAOYSA-N -1 3 399.823 3.416 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cnc(-c2cccs2)o1 ZINC000737947672 599200614 /nfs/dbraw/zinc/20/06/14/599200614.db2.gz NOLQXVROUIBGAE-UHFFFAOYSA-N -1 3 399.457 3.419 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cnc(-c2cccs2)o1 ZINC000737947672 599200615 /nfs/dbraw/zinc/20/06/15/599200615.db2.gz NOLQXVROUIBGAE-UHFFFAOYSA-N -1 3 399.457 3.419 20 0 GGADHM COCCN(C(=O)Cc1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988614 599204027 /nfs/dbraw/zinc/20/40/27/599204027.db2.gz PNGTYYYEKJYMIS-UHFFFAOYSA-N -1 3 393.472 3.304 20 0 GGADHM COCCN(C(=O)Cc1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988614 599204029 /nfs/dbraw/zinc/20/40/29/599204029.db2.gz PNGTYYYEKJYMIS-UHFFFAOYSA-N -1 3 393.472 3.304 20 0 GGADHM FC(F)(F)c1cc(NCc2ccc(-c3nnn[n-]3)cc2)nc(-c2cccnc2)n1 ZINC000737631027 599205676 /nfs/dbraw/zinc/20/56/76/599205676.db2.gz BOORNAHBAPEMAK-UHFFFAOYSA-N -1 3 398.352 3.350 20 0 GGADHM FC(F)(F)c1cc(NCc2ccc(-c3nn[n-]n3)cc2)nc(-c2cccnc2)n1 ZINC000737631027 599205678 /nfs/dbraw/zinc/20/56/78/599205678.db2.gz BOORNAHBAPEMAK-UHFFFAOYSA-N -1 3 398.352 3.350 20 0 GGADHM COCCN(C(=O)[C@H](C)CSc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988602 599203867 /nfs/dbraw/zinc/20/38/67/599203867.db2.gz LYQRVDSTLQMZDM-OAHLLOKOSA-N -1 3 397.504 3.275 20 0 GGADHM COCCN(C(=O)[C@H](C)CSc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988602 599203868 /nfs/dbraw/zinc/20/38/68/599203868.db2.gz LYQRVDSTLQMZDM-OAHLLOKOSA-N -1 3 397.504 3.275 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736688783 599214033 /nfs/dbraw/zinc/21/40/33/599214033.db2.gz RWPJJUIQXQANGB-OAHLLOKOSA-N -1 3 379.464 3.118 20 0 GGADHM CC[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820994120 599214122 /nfs/dbraw/zinc/21/41/22/599214122.db2.gz DVJZYDVGXPJCGH-INIZCTEOSA-N -1 3 399.476 3.006 20 0 GGADHM CC[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820994120 599214123 /nfs/dbraw/zinc/21/41/23/599214123.db2.gz DVJZYDVGXPJCGH-INIZCTEOSA-N -1 3 399.476 3.006 20 0 GGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735736916 599218837 /nfs/dbraw/zinc/21/88/37/599218837.db2.gz WSMHGNJQXNVPIR-SFHVURJKSA-N -1 3 397.504 3.179 20 0 GGADHM O=C(CCc1ccc2ccccc2c1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737857895 599216283 /nfs/dbraw/zinc/21/62/83/599216283.db2.gz WQQHDRQVELOWQQ-UHFFFAOYSA-N -1 3 387.443 3.148 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737350724 599216351 /nfs/dbraw/zinc/21/63/51/599216351.db2.gz HLNLZLBWSORNMY-UHFFFAOYSA-N -1 3 381.411 3.271 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737350724 599216353 /nfs/dbraw/zinc/21/63/53/599216353.db2.gz HLNLZLBWSORNMY-UHFFFAOYSA-N -1 3 381.411 3.271 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1sccc1-c1ccccc1 ZINC000738088766 599216521 /nfs/dbraw/zinc/21/65/21/599216521.db2.gz KFEYTNBSYHRJOY-UHFFFAOYSA-N -1 3 391.456 3.404 20 0 GGADHM Cc1cnc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)cn1 ZINC000822388896 599219028 /nfs/dbraw/zinc/21/90/28/599219028.db2.gz FSJMQOZSJIYNEI-UHFFFAOYSA-N -1 3 391.366 3.149 20 0 GGADHM Cc1cnc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)cn1 ZINC000822388896 599219030 /nfs/dbraw/zinc/21/90/30/599219030.db2.gz FSJMQOZSJIYNEI-UHFFFAOYSA-N -1 3 391.366 3.149 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000737295445 599219257 /nfs/dbraw/zinc/21/92/57/599219257.db2.gz XDXWDZUTOPUFCE-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000737295445 599219260 /nfs/dbraw/zinc/21/92/60/599219260.db2.gz XDXWDZUTOPUFCE-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000822233142 599219418 /nfs/dbraw/zinc/21/94/18/599219418.db2.gz ISUGXMPJJYPIQE-GOEBONIOSA-N -1 3 383.477 3.134 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000822233142 599219419 /nfs/dbraw/zinc/21/94/19/599219419.db2.gz ISUGXMPJJYPIQE-GOEBONIOSA-N -1 3 383.477 3.134 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1ccc(-c2cccnc2)cc1 ZINC000822927903 599221525 /nfs/dbraw/zinc/22/15/25/599221525.db2.gz BVYIEAQZWUSULW-QXMHVHEDSA-N -1 3 382.427 3.258 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1ccc(-c2cccnc2)cc1 ZINC000822927903 599221528 /nfs/dbraw/zinc/22/15/28/599221528.db2.gz BVYIEAQZWUSULW-QXMHVHEDSA-N -1 3 382.427 3.258 20 0 GGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233581 599221762 /nfs/dbraw/zinc/22/17/62/599221762.db2.gz RNPQGJDYNBCVFW-DYVFJYSZSA-N -1 3 380.452 3.180 20 0 GGADHM CC(C)N(CC(F)(F)F)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820117097 599222779 /nfs/dbraw/zinc/22/27/79/599222779.db2.gz UXMYFXXDRCGICX-UHFFFAOYSA-N -1 3 391.394 3.038 20 0 GGADHM CC(C)N(CC(F)(F)F)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820117097 599222781 /nfs/dbraw/zinc/22/27/81/599222781.db2.gz UXMYFXXDRCGICX-UHFFFAOYSA-N -1 3 391.394 3.038 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000736166500 599223166 /nfs/dbraw/zinc/22/31/66/599223166.db2.gz AYYJFGZAWVPYBP-AUUYWEPGSA-N -1 3 377.448 3.292 20 0 GGADHM O=C(CC1CCOCC1)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000737821041 599223600 /nfs/dbraw/zinc/22/36/00/599223600.db2.gz UWOLDXHJYZTRBG-UHFFFAOYSA-N -1 3 395.488 3.449 20 0 GGADHM O=C(CC1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000737821041 599223603 /nfs/dbraw/zinc/22/36/03/599223603.db2.gz UWOLDXHJYZTRBG-UHFFFAOYSA-N -1 3 395.488 3.449 20 0 GGADHM Cc1ccc(C)c(NC(=O)Cc2nc(CNC3(C(=O)[O-])CCCC3)cs2)c1 ZINC000532880857 596917570 /nfs/dbraw/zinc/91/75/70/596917570.db2.gz CLMYTUBFKRCJSK-UHFFFAOYSA-N -1 3 387.505 3.428 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3)[C@@H](C)CO2)c1 ZINC000737323197 599229348 /nfs/dbraw/zinc/22/93/48/599229348.db2.gz QDRAWGKXECWTDZ-KXBFYZLASA-N -1 3 377.448 3.086 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3)[C@@H](C)CO2)c1 ZINC000737323197 599229351 /nfs/dbraw/zinc/22/93/51/599229351.db2.gz QDRAWGKXECWTDZ-KXBFYZLASA-N -1 3 377.448 3.086 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000739113294 596939245 /nfs/dbraw/zinc/93/92/45/596939245.db2.gz UVWXYCNMXMMKBJ-INIZCTEOSA-N -1 3 379.526 3.027 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736235623 599226670 /nfs/dbraw/zinc/22/66/70/599226670.db2.gz OUPONUVHTPMTGF-LLSQANQASA-N -1 3 397.866 3.412 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736235623 599226672 /nfs/dbraw/zinc/22/66/72/599226672.db2.gz OUPONUVHTPMTGF-LLSQANQASA-N -1 3 397.866 3.412 20 0 GGADHM COc1ccc(Cl)c(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821825365 599226752 /nfs/dbraw/zinc/22/67/52/599226752.db2.gz YQIUKSOGVYCVIH-UHFFFAOYSA-N -1 3 390.856 3.346 20 0 GGADHM COc1ccc(Cl)c(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821825365 599226755 /nfs/dbraw/zinc/22/67/55/599226755.db2.gz YQIUKSOGVYCVIH-UHFFFAOYSA-N -1 3 390.856 3.346 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820666844 607263728 /nfs/dbraw/zinc/26/37/28/607263728.db2.gz KJPOZEHITKKFJB-XUJVJEKNSA-N -1 3 382.855 3.322 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820666844 607263729 /nfs/dbraw/zinc/26/37/29/607263729.db2.gz KJPOZEHITKKFJB-XUJVJEKNSA-N -1 3 382.855 3.322 20 0 GGADHM Cc1cccc(OC(F)F)c1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822328227 607263802 /nfs/dbraw/zinc/26/38/02/607263802.db2.gz NEJYZQMWWLFJHI-UHFFFAOYSA-N -1 3 380.742 3.077 20 0 GGADHM Cc1cccc(OC(F)F)c1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822328227 607263803 /nfs/dbraw/zinc/26/38/03/607263803.db2.gz NEJYZQMWWLFJHI-UHFFFAOYSA-N -1 3 380.742 3.077 20 0 GGADHM CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000821028681 599235862 /nfs/dbraw/zinc/23/58/62/599235862.db2.gz XZZLQOCCJBSIKX-INIZCTEOSA-N -1 3 383.905 3.111 20 0 GGADHM CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000821028681 599235864 /nfs/dbraw/zinc/23/58/64/599235864.db2.gz XZZLQOCCJBSIKX-INIZCTEOSA-N -1 3 383.905 3.111 20 0 GGADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1OC(F)F ZINC000821703103 607267604 /nfs/dbraw/zinc/26/76/04/607267604.db2.gz OVDRLSSEJQONED-UHFFFAOYSA-N -1 3 375.335 3.037 20 0 GGADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1OC(F)F ZINC000821703103 607267605 /nfs/dbraw/zinc/26/76/05/607267605.db2.gz OVDRLSSEJQONED-UHFFFAOYSA-N -1 3 375.335 3.037 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822232756 599241267 /nfs/dbraw/zinc/24/12/67/599241267.db2.gz AFZPZPQYRFZCMI-IEBWSBKVSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822232756 599241269 /nfs/dbraw/zinc/24/12/69/599241269.db2.gz AFZPZPQYRFZCMI-IEBWSBKVSA-N -1 3 392.463 3.465 20 0 GGADHM CCc1ccc(COC(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736690045 599241861 /nfs/dbraw/zinc/24/18/61/599241861.db2.gz KPLTXNMADPZYRX-UHFFFAOYSA-N -1 3 396.447 3.340 20 0 GGADHM CCc1ccc(COC(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736690045 599241863 /nfs/dbraw/zinc/24/18/63/599241863.db2.gz KPLTXNMADPZYRX-UHFFFAOYSA-N -1 3 396.447 3.340 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000823309064 599241859 /nfs/dbraw/zinc/24/18/59/599241859.db2.gz RHBXPLJJMYMYNU-HNNXBMFYSA-N -1 3 397.870 3.311 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000823309064 599241862 /nfs/dbraw/zinc/24/18/62/599241862.db2.gz RHBXPLJJMYMYNU-HNNXBMFYSA-N -1 3 397.870 3.311 20 0 GGADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1ccccc1F ZINC000822116591 607270955 /nfs/dbraw/zinc/27/09/55/607270955.db2.gz ULYLAAZFKYGAIX-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1ccccc1F ZINC000822116591 607270956 /nfs/dbraw/zinc/27/09/56/607270956.db2.gz ULYLAAZFKYGAIX-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000735963966 599243414 /nfs/dbraw/zinc/24/34/14/599243414.db2.gz SLDPYONEQRMTFE-UHFFFAOYSA-N -1 3 390.451 3.461 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000735963966 599243415 /nfs/dbraw/zinc/24/34/15/599243415.db2.gz SLDPYONEQRMTFE-UHFFFAOYSA-N -1 3 390.451 3.461 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000736482307 599244398 /nfs/dbraw/zinc/24/43/98/599244398.db2.gz ZASKOQAVGCYFKV-IAGOWNOFSA-N -1 3 388.541 3.463 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000736482307 599244400 /nfs/dbraw/zinc/24/44/00/599244400.db2.gz ZASKOQAVGCYFKV-IAGOWNOFSA-N -1 3 388.541 3.463 20 0 GGADHM O=C(C[C@H]1CCOc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737819123 599247332 /nfs/dbraw/zinc/24/73/32/599247332.db2.gz MQNRCPONCUKBES-QGZVFWFLSA-N -1 3 389.459 3.314 20 0 GGADHM O=C(C[C@H]1CCOc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737819123 599247334 /nfs/dbraw/zinc/24/73/34/599247334.db2.gz MQNRCPONCUKBES-QGZVFWFLSA-N -1 3 389.459 3.314 20 0 GGADHM CC(C)(CNC(=O)Nc1cccc(CC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000737593297 597186130 /nfs/dbraw/zinc/18/61/30/597186130.db2.gz OGHRHKMVGRQVSK-UHFFFAOYSA-N -1 3 381.476 3.272 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000736233075 599248245 /nfs/dbraw/zinc/24/82/45/599248245.db2.gz FDRLMPKKSODXFA-PJIJBLCYSA-N -1 3 395.438 3.383 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000736234045 599248442 /nfs/dbraw/zinc/24/84/42/599248442.db2.gz HUUOPGPPPDRQBY-HBUWYVDXSA-N -1 3 395.438 3.383 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000736234045 599248443 /nfs/dbraw/zinc/24/84/43/599248443.db2.gz HUUOPGPPPDRQBY-HBUWYVDXSA-N -1 3 395.438 3.383 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000736234043 599248506 /nfs/dbraw/zinc/24/85/06/599248506.db2.gz HUUOPGPPPDRQBY-GLJUWKHASA-N -1 3 395.438 3.383 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000736234043 599248507 /nfs/dbraw/zinc/24/85/07/599248507.db2.gz HUUOPGPPPDRQBY-GLJUWKHASA-N -1 3 395.438 3.383 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000819826249 599251320 /nfs/dbraw/zinc/25/13/20/599251320.db2.gz INLSKCZRIHADPD-LBPRGKRZSA-N -1 3 379.424 3.016 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000819826249 599251322 /nfs/dbraw/zinc/25/13/22/599251322.db2.gz INLSKCZRIHADPD-LBPRGKRZSA-N -1 3 379.424 3.016 20 0 GGADHM Cc1c(NC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cccc1-c1nnn[n-]1 ZINC000822077303 607280723 /nfs/dbraw/zinc/28/07/23/607280723.db2.gz UMGVWFYIBJDYKP-OIJAAMDRSA-N -1 3 398.492 3.137 20 0 GGADHM Cc1c(NC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cccc1-c1nn[n-]n1 ZINC000822077303 607280724 /nfs/dbraw/zinc/28/07/24/607280724.db2.gz UMGVWFYIBJDYKP-OIJAAMDRSA-N -1 3 398.492 3.137 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cccc1-c1nnn[n-]1 ZINC000822084676 607283844 /nfs/dbraw/zinc/28/38/44/607283844.db2.gz NLPCRTBOIKTBDI-XJKSGUPXSA-N -1 3 398.492 3.357 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cccc1-c1nn[n-]n1 ZINC000822084676 607283845 /nfs/dbraw/zinc/28/38/45/607283845.db2.gz NLPCRTBOIKTBDI-XJKSGUPXSA-N -1 3 398.492 3.357 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818958687 597342075 /nfs/dbraw/zinc/34/20/75/597342075.db2.gz DAKLXKQEPNFALT-UHFFFAOYSA-N -1 3 381.476 3.362 20 0 GGADHM Cc1cccc(N2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)c1C ZINC000822308536 607285071 /nfs/dbraw/zinc/28/50/71/607285071.db2.gz GVWQBEXUFVHNDP-UHFFFAOYSA-N -1 3 391.479 3.146 20 0 GGADHM Cc1cccc(N2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)c1C ZINC000822308536 607285072 /nfs/dbraw/zinc/28/50/72/607285072.db2.gz GVWQBEXUFVHNDP-UHFFFAOYSA-N -1 3 391.479 3.146 20 0 GGADHM Cc1c(NC(=O)NCCNc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822097238 607285188 /nfs/dbraw/zinc/28/51/88/607285188.db2.gz WDFYGSXYAWREDG-UHFFFAOYSA-N -1 3 394.464 3.018 20 0 GGADHM Cc1c(NC(=O)NCCNc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822097238 607285189 /nfs/dbraw/zinc/28/51/89/607285189.db2.gz WDFYGSXYAWREDG-UHFFFAOYSA-N -1 3 394.464 3.018 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821889831 607285326 /nfs/dbraw/zinc/28/53/26/607285326.db2.gz GOYPOHGSKARWST-ZDUSSCGKSA-N -1 3 380.452 3.279 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821889831 607285327 /nfs/dbraw/zinc/28/53/27/607285327.db2.gz GOYPOHGSKARWST-ZDUSSCGKSA-N -1 3 380.452 3.279 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cccc1-c1nnn[n-]1 ZINC000822104731 607291070 /nfs/dbraw/zinc/29/10/70/607291070.db2.gz PXPQPRQAFWGVRT-INIZCTEOSA-N -1 3 394.435 3.377 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cccc1-c1nn[n-]n1 ZINC000822104731 607291071 /nfs/dbraw/zinc/29/10/71/607291071.db2.gz PXPQPRQAFWGVRT-INIZCTEOSA-N -1 3 394.435 3.377 20 0 GGADHM CC[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)Oc1cccc(F)c1 ZINC000820909127 607291345 /nfs/dbraw/zinc/29/13/45/607291345.db2.gz UIMZEMJTNVIJOY-AWEZNQCLSA-N -1 3 384.415 3.293 20 0 GGADHM CC[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)Oc1cccc(F)c1 ZINC000820909127 607291346 /nfs/dbraw/zinc/29/13/46/607291346.db2.gz UIMZEMJTNVIJOY-AWEZNQCLSA-N -1 3 384.415 3.293 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(-c2nccs2)c1 ZINC000823238931 599258653 /nfs/dbraw/zinc/25/86/53/599258653.db2.gz UFLOCJJLPILCJR-UHFFFAOYSA-N -1 3 395.423 3.451 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(-c2nccs2)c1 ZINC000823238931 599258655 /nfs/dbraw/zinc/25/86/55/599258655.db2.gz UFLOCJJLPILCJR-UHFFFAOYSA-N -1 3 395.423 3.451 20 0 GGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1Cl ZINC000821676968 607293029 /nfs/dbraw/zinc/29/30/29/607293029.db2.gz KYIKBLALGPJKGW-MRXNPFEDSA-N -1 3 386.843 3.338 20 0 GGADHM CO[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1Cl ZINC000821676968 607293030 /nfs/dbraw/zinc/29/30/30/607293030.db2.gz KYIKBLALGPJKGW-MRXNPFEDSA-N -1 3 386.843 3.338 20 0 GGADHM Cc1c(NC(=O)c2n[nH]c3ccc(Br)cc32)cccc1-c1nnn[n-]1 ZINC000822115307 607294213 /nfs/dbraw/zinc/29/42/13/607294213.db2.gz AVMOUVGPFXIJRA-UHFFFAOYSA-N -1 3 398.224 3.066 20 0 GGADHM Cc1c(NC(=O)c2n[nH]c3ccc(Br)cc32)cccc1-c1nn[n-]n1 ZINC000822115307 607294214 /nfs/dbraw/zinc/29/42/14/607294214.db2.gz AVMOUVGPFXIJRA-UHFFFAOYSA-N -1 3 398.224 3.066 20 0 GGADHM COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821769922 607294549 /nfs/dbraw/zinc/29/45/49/607294549.db2.gz MIFXKZUOVWYVPZ-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821769922 607294550 /nfs/dbraw/zinc/29/45/50/607294550.db2.gz MIFXKZUOVWYVPZ-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000822242228 607298188 /nfs/dbraw/zinc/29/81/88/607298188.db2.gz FGMNTSWAJXAGHM-UHFFFAOYSA-N -1 3 382.399 3.062 20 0 GGADHM Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000822242228 607298189 /nfs/dbraw/zinc/29/81/89/607298189.db2.gz FGMNTSWAJXAGHM-UHFFFAOYSA-N -1 3 382.399 3.062 20 0 GGADHM Cc1ccc(F)c(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822239980 607298270 /nfs/dbraw/zinc/29/82/70/607298270.db2.gz NDAVVZFGLNZREN-UHFFFAOYSA-N -1 3 382.399 3.062 20 0 GGADHM Cc1ccc(F)c(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822239980 607298271 /nfs/dbraw/zinc/29/82/71/607298271.db2.gz NDAVVZFGLNZREN-UHFFFAOYSA-N -1 3 382.399 3.062 20 0 GGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820697078 607298649 /nfs/dbraw/zinc/29/86/49/607298649.db2.gz DTQXXQRPPYKFQZ-YOEHRIQHSA-N -1 3 384.484 3.013 20 0 GGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820697078 607298650 /nfs/dbraw/zinc/29/86/50/607298650.db2.gz DTQXXQRPPYKFQZ-YOEHRIQHSA-N -1 3 384.484 3.013 20 0 GGADHM CC(C)CCN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820074041 607298704 /nfs/dbraw/zinc/29/87/04/607298704.db2.gz YTRLRJIGTHHEQU-UHFFFAOYSA-N -1 3 384.484 3.013 20 0 GGADHM CC(C)CCN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820074041 607298705 /nfs/dbraw/zinc/29/87/05/607298705.db2.gz YTRLRJIGTHHEQU-UHFFFAOYSA-N -1 3 384.484 3.013 20 0 GGADHM CC[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000820919911 607299084 /nfs/dbraw/zinc/29/90/84/607299084.db2.gz HHAVUMKITNLNMS-ZDUSSCGKSA-N -1 3 377.235 3.450 20 0 GGADHM CC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000820919911 607299085 /nfs/dbraw/zinc/29/90/85/607299085.db2.gz HHAVUMKITNLNMS-ZDUSSCGKSA-N -1 3 377.235 3.450 20 0 GGADHM CC(C)[C@@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820017492 607299411 /nfs/dbraw/zinc/29/94/11/607299411.db2.gz YIULBYYKGNNVGX-CQSZACIVSA-N -1 3 384.484 3.011 20 0 GGADHM CC(C)[C@@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820017492 607299412 /nfs/dbraw/zinc/29/94/12/607299412.db2.gz YIULBYYKGNNVGX-CQSZACIVSA-N -1 3 384.484 3.011 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCS[C@@H](c2ccccc2)C1 ZINC000737799516 599260766 /nfs/dbraw/zinc/26/07/66/599260766.db2.gz PCNXTOVBNWEACI-RXQFDZFGSA-N -1 3 377.473 3.197 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCS[C@@H](c2ccccc2)C1 ZINC000737799516 599260769 /nfs/dbraw/zinc/26/07/69/599260769.db2.gz PCNXTOVBNWEACI-RXQFDZFGSA-N -1 3 377.473 3.197 20 0 GGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000823498614 607300152 /nfs/dbraw/zinc/30/01/52/607300152.db2.gz WFRFVATZCUVKSL-MRXNPFEDSA-N -1 3 380.839 3.207 20 0 GGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000823498614 607300153 /nfs/dbraw/zinc/30/01/53/607300153.db2.gz WFRFVATZCUVKSL-MRXNPFEDSA-N -1 3 380.839 3.207 20 0 GGADHM Cc1cccc(O[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822329136 599261009 /nfs/dbraw/zinc/26/10/09/599261009.db2.gz ZDKINDXRWHGSKS-GJZGRUSLSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1cccc(O[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822329136 599261010 /nfs/dbraw/zinc/26/10/10/599261010.db2.gz ZDKINDXRWHGSKS-GJZGRUSLSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccccc1[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000822352449 599261214 /nfs/dbraw/zinc/26/12/14/599261214.db2.gz ZSLJVEOOXNUKQA-BEFAXECRSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccccc1[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000822352449 599261216 /nfs/dbraw/zinc/26/12/16/599261216.db2.gz ZSLJVEOOXNUKQA-BEFAXECRSA-N -1 3 392.463 3.019 20 0 GGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823139666 607300763 /nfs/dbraw/zinc/30/07/63/607300763.db2.gz JIAIWXXPXFGMRY-HNNXBMFYSA-N -1 3 386.818 3.325 20 0 GGADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823139666 607300764 /nfs/dbraw/zinc/30/07/64/607300764.db2.gz JIAIWXXPXFGMRY-HNNXBMFYSA-N -1 3 386.818 3.325 20 0 GGADHM C[C@@H]1CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC[C@@H]1c1ccccc1 ZINC000820743175 607301068 /nfs/dbraw/zinc/30/10/68/607301068.db2.gz RRERMYFRTOUTGD-DOMZBBRYSA-N -1 3 382.855 3.181 20 0 GGADHM C[C@@H]1CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC[C@@H]1c1ccccc1 ZINC000820743175 607301069 /nfs/dbraw/zinc/30/10/69/607301069.db2.gz RRERMYFRTOUTGD-DOMZBBRYSA-N -1 3 382.855 3.181 20 0 GGADHM Cc1csc([C@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000822410117 599263589 /nfs/dbraw/zinc/26/35/89/599263589.db2.gz XERGDDCDJOJLNH-XHDPSFHLSA-N -1 3 383.481 3.143 20 0 GGADHM Cc1csc([C@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000822410117 599263591 /nfs/dbraw/zinc/26/35/91/599263591.db2.gz XERGDDCDJOJLNH-XHDPSFHLSA-N -1 3 383.481 3.143 20 0 GGADHM CC(C)C(=O)Nc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000735685485 599263678 /nfs/dbraw/zinc/26/36/78/599263678.db2.gz WJOOCEYEOUVNKY-UHFFFAOYSA-N -1 3 387.447 3.043 20 0 GGADHM CC(C)C(=O)Nc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000735685485 599263680 /nfs/dbraw/zinc/26/36/80/599263680.db2.gz WJOOCEYEOUVNKY-UHFFFAOYSA-N -1 3 387.447 3.043 20 0 GGADHM CC(C)[C@@H](CCO)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820020116 599263815 /nfs/dbraw/zinc/26/38/15/599263815.db2.gz BPFARZYEUDUUSK-QGZVFWFLSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)[C@@H](CCO)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820020116 599263818 /nfs/dbraw/zinc/26/38/18/599263818.db2.gz BPFARZYEUDUUSK-QGZVFWFLSA-N -1 3 396.451 3.188 20 0 GGADHM Cc1ccccc1O[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822362204 599263928 /nfs/dbraw/zinc/26/39/28/599263928.db2.gz OIIFUZRITHJSHG-CABCVRRESA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccccc1O[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822362204 599263930 /nfs/dbraw/zinc/26/39/30/599263930.db2.gz OIIFUZRITHJSHG-CABCVRRESA-N -1 3 380.452 3.003 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCOC1 ZINC000820380478 599264042 /nfs/dbraw/zinc/26/40/42/599264042.db2.gz UMJJFLZTDNXJQV-KBPBESRZSA-N -1 3 394.435 3.206 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820380478 599264044 /nfs/dbraw/zinc/26/40/44/599264044.db2.gz UMJJFLZTDNXJQV-KBPBESRZSA-N -1 3 394.435 3.206 20 0 GGADHM COc1ccc(CNc2ccc(C)cc2OC[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000821821732 607310034 /nfs/dbraw/zinc/31/00/34/607310034.db2.gz UGMBGMAIZDEOQI-MRXNPFEDSA-N -1 3 395.463 3.354 20 0 GGADHM COc1ccc(CNc2ccc(C)cc2OC[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000821821732 607310035 /nfs/dbraw/zinc/31/00/35/607310035.db2.gz UGMBGMAIZDEOQI-MRXNPFEDSA-N -1 3 395.463 3.354 20 0 GGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820938318 607311296 /nfs/dbraw/zinc/31/12/96/607311296.db2.gz ILRGJABDFKRWOP-GOSISDBHSA-N -1 3 383.427 3.132 20 0 GGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820938318 607311297 /nfs/dbraw/zinc/31/12/97/607311297.db2.gz ILRGJABDFKRWOP-GOSISDBHSA-N -1 3 383.427 3.132 20 0 GGADHM Cc1nc(-c2cccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)c2)oc1C ZINC000822419734 607313383 /nfs/dbraw/zinc/31/33/83/607313383.db2.gz SUJWHDQBTOGVGC-UHFFFAOYSA-N -1 3 386.419 3.398 20 0 GGADHM Cc1nc(-c2cccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)c2)oc1C ZINC000822419734 607313384 /nfs/dbraw/zinc/31/33/84/607313384.db2.gz SUJWHDQBTOGVGC-UHFFFAOYSA-N -1 3 386.419 3.398 20 0 GGADHM CC[C@H](O)CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820932994 599264883 /nfs/dbraw/zinc/26/48/83/599264883.db2.gz SCDZBFNGWMZXEL-HNNXBMFYSA-N -1 3 396.451 3.332 20 0 GGADHM CC[C@H](O)CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820932994 599264885 /nfs/dbraw/zinc/26/48/85/599264885.db2.gz SCDZBFNGWMZXEL-HNNXBMFYSA-N -1 3 396.451 3.332 20 0 GGADHM COCCOc1c(Cl)cccc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821693155 607314297 /nfs/dbraw/zinc/31/42/97/607314297.db2.gz UMWAMPHKDDOZKN-UHFFFAOYSA-N -1 3 389.843 3.166 20 0 GGADHM COCCOc1c(Cl)cccc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821693155 607314298 /nfs/dbraw/zinc/31/42/98/607314298.db2.gz UMWAMPHKDDOZKN-UHFFFAOYSA-N -1 3 389.843 3.166 20 0 GGADHM COCc1c(Br)cccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821695340 607314328 /nfs/dbraw/zinc/31/43/28/607314328.db2.gz TWIAFYHYCSASNV-UHFFFAOYSA-N -1 3 380.271 3.449 20 0 GGADHM CC[C@@H](C)Sc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(C)c1 ZINC000820881962 607314809 /nfs/dbraw/zinc/31/48/09/607314809.db2.gz GIGDJQXIQUYHHP-ZIAGYGMSSA-N -1 3 398.540 3.416 20 0 GGADHM CC[C@@H](C)Sc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(C)c1 ZINC000820881962 607314810 /nfs/dbraw/zinc/31/48/10/607314810.db2.gz GIGDJQXIQUYHHP-ZIAGYGMSSA-N -1 3 398.540 3.416 20 0 GGADHM CC(C)(C)c1nnc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000819971815 607304141 /nfs/dbraw/zinc/30/41/41/607304141.db2.gz SHTCZMXTEYUSNE-UHFFFAOYSA-N -1 3 385.497 3.064 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCOC1 ZINC000820380322 599266543 /nfs/dbraw/zinc/26/65/43/599266543.db2.gz QGRSUCRBMMKMFS-DZGCQCFKSA-N -1 3 394.435 3.206 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCOC1 ZINC000820380322 599266545 /nfs/dbraw/zinc/26/65/45/599266545.db2.gz QGRSUCRBMMKMFS-DZGCQCFKSA-N -1 3 394.435 3.206 20 0 GGADHM Cc1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)no1 ZINC000737266559 599267678 /nfs/dbraw/zinc/26/76/78/599267678.db2.gz ZOTKHFQNNNZDPF-CQSZACIVSA-N -1 3 383.362 3.331 20 0 GGADHM Cc1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)no1 ZINC000737266559 599267680 /nfs/dbraw/zinc/26/76/80/599267680.db2.gz ZOTKHFQNNNZDPF-CQSZACIVSA-N -1 3 383.362 3.331 20 0 GGADHM COC[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000821684043 599268004 /nfs/dbraw/zinc/26/80/04/599268004.db2.gz QQWAEEOUVLUMBZ-SFHVURJKSA-N -1 3 396.451 3.452 20 0 GGADHM COC[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000821684043 599268006 /nfs/dbraw/zinc/26/80/06/599268006.db2.gz QQWAEEOUVLUMBZ-SFHVURJKSA-N -1 3 396.451 3.452 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000737247951 599272587 /nfs/dbraw/zinc/27/25/87/599272587.db2.gz BMMANYGZNPBRTL-KRWDZBQOSA-N -1 3 399.502 3.392 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000737247951 599272589 /nfs/dbraw/zinc/27/25/89/599272589.db2.gz BMMANYGZNPBRTL-KRWDZBQOSA-N -1 3 399.502 3.392 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000822218159 599273168 /nfs/dbraw/zinc/27/31/68/599273168.db2.gz YRTNIJSXJMJXNV-UHFFFAOYSA-N -1 3 396.426 3.142 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000822218159 599273170 /nfs/dbraw/zinc/27/31/70/599273170.db2.gz YRTNIJSXJMJXNV-UHFFFAOYSA-N -1 3 396.426 3.142 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000822220295 599273595 /nfs/dbraw/zinc/27/35/95/599273595.db2.gz LBSNSXYBJVAWBC-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000822220295 599273597 /nfs/dbraw/zinc/27/35/97/599273597.db2.gz LBSNSXYBJVAWBC-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM CC(C)Nc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735891940 599274600 /nfs/dbraw/zinc/27/46/00/599274600.db2.gz ARJYDOYHEZQQPF-GFCCVEGCSA-N -1 3 384.415 3.232 20 0 GGADHM CC(C)Nc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735891940 599274602 /nfs/dbraw/zinc/27/46/02/599274602.db2.gz ARJYDOYHEZQQPF-GFCCVEGCSA-N -1 3 384.415 3.232 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738337894 599274918 /nfs/dbraw/zinc/27/49/18/599274918.db2.gz ALUGVSSNLWDRNP-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738337894 599274919 /nfs/dbraw/zinc/27/49/19/599274919.db2.gz ALUGVSSNLWDRNP-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389221 599275430 /nfs/dbraw/zinc/27/54/30/599275430.db2.gz KFTWDMIWCFXUJS-LJQANCHMSA-N -1 3 397.504 3.481 20 0 GGADHM Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389221 599275434 /nfs/dbraw/zinc/27/54/34/599275434.db2.gz KFTWDMIWCFXUJS-LJQANCHMSA-N -1 3 397.504 3.481 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OCC)c(OC)c1 ZINC000736488420 599277335 /nfs/dbraw/zinc/27/73/35/599277335.db2.gz OYDKYIUOSLJTCQ-UHFFFAOYSA-N -1 3 396.451 3.348 20 0 GGADHM CSCCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821970767 599277774 /nfs/dbraw/zinc/27/77/74/599277774.db2.gz RTNCGBDKYDNIRI-UHFFFAOYSA-N -1 3 386.456 3.233 20 0 GGADHM CSCCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821970767 599277775 /nfs/dbraw/zinc/27/77/75/599277775.db2.gz RTNCGBDKYDNIRI-UHFFFAOYSA-N -1 3 386.456 3.233 20 0 GGADHM O=C(NCC(C1CC1)C1CC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823162637 599277785 /nfs/dbraw/zinc/27/77/85/599277785.db2.gz YPQTYJBRAPEFDG-UHFFFAOYSA-N -1 3 378.383 3.026 20 0 GGADHM O=C(NCC(C1CC1)C1CC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823162637 599277786 /nfs/dbraw/zinc/27/77/86/599277786.db2.gz YPQTYJBRAPEFDG-UHFFFAOYSA-N -1 3 378.383 3.026 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(-n2cccc2)c1 ZINC000823238105 599277964 /nfs/dbraw/zinc/27/79/64/599277964.db2.gz IRUNDZJINABYLB-UHFFFAOYSA-N -1 3 377.383 3.118 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(-n2cccc2)c1 ZINC000823238105 599277967 /nfs/dbraw/zinc/27/79/67/599277967.db2.gz IRUNDZJINABYLB-UHFFFAOYSA-N -1 3 377.383 3.118 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000736487932 599278838 /nfs/dbraw/zinc/27/88/38/599278838.db2.gz KKOJDGFWBLBZFT-UHFFFAOYSA-N -1 3 388.435 3.127 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000735874975 599280664 /nfs/dbraw/zinc/28/06/64/599280664.db2.gz XGGIGUVIKFDNGS-NDEPHWFRSA-N -1 3 398.492 3.047 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000735874975 599280666 /nfs/dbraw/zinc/28/06/66/599280666.db2.gz XGGIGUVIKFDNGS-NDEPHWFRSA-N -1 3 398.492 3.047 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000737257586 599281538 /nfs/dbraw/zinc/28/15/38/599281538.db2.gz WSMIONHETKJZCL-OAHLLOKOSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737257586 599281541 /nfs/dbraw/zinc/28/15/41/599281541.db2.gz WSMIONHETKJZCL-OAHLLOKOSA-N -1 3 387.447 3.160 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ncc(Cl)s1 ZINC000737842777 599282170 /nfs/dbraw/zinc/28/21/70/599282170.db2.gz WMUPAKPQKTULEY-UHFFFAOYSA-N -1 3 378.845 3.164 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ncc(Cl)s1 ZINC000737842777 599282173 /nfs/dbraw/zinc/28/21/73/599282173.db2.gz WMUPAKPQKTULEY-UHFFFAOYSA-N -1 3 378.845 3.164 20 0 GGADHM Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822215178 599282172 /nfs/dbraw/zinc/28/21/72/599282172.db2.gz PDFOJGKSKBVSEY-GFCCVEGCSA-N -1 3 390.407 3.108 20 0 GGADHM Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822215178 599282175 /nfs/dbraw/zinc/28/21/75/599282175.db2.gz PDFOJGKSKBVSEY-GFCCVEGCSA-N -1 3 390.407 3.108 20 0 GGADHM COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821638734 599282230 /nfs/dbraw/zinc/28/22/30/599282230.db2.gz GZSFSBHWBVSZOL-UHFFFAOYSA-N -1 3 398.398 3.100 20 0 GGADHM COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821638734 599282232 /nfs/dbraw/zinc/28/22/32/599282232.db2.gz GZSFSBHWBVSZOL-UHFFFAOYSA-N -1 3 398.398 3.100 20 0 GGADHM CCc1nc2cc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)ccc2o1 ZINC000821508846 599283751 /nfs/dbraw/zinc/28/37/51/599283751.db2.gz BNEDIMOUFRACIT-UHFFFAOYSA-N -1 3 381.371 3.031 20 0 GGADHM CCc1nc2cc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)ccc2o1 ZINC000821508846 599283753 /nfs/dbraw/zinc/28/37/53/599283753.db2.gz BNEDIMOUFRACIT-UHFFFAOYSA-N -1 3 381.371 3.031 20 0 GGADHM CC(C)N(C)c1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820112287 599280400 /nfs/dbraw/zinc/28/04/00/599280400.db2.gz QBTWKLWYWAJBMR-UHFFFAOYSA-N -1 3 383.431 3.172 20 0 GGADHM CC(C)N(C)c1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820112287 599280402 /nfs/dbraw/zinc/28/04/02/599280402.db2.gz QBTWKLWYWAJBMR-UHFFFAOYSA-N -1 3 383.431 3.172 20 0 GGADHM CCc1nc2cc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000821508882 599284098 /nfs/dbraw/zinc/28/40/98/599284098.db2.gz CDBWOFSRHLLHIR-LLVKDONJSA-N -1 3 377.408 3.453 20 0 GGADHM CCc1nc2cc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000821508882 599284099 /nfs/dbraw/zinc/28/40/99/599284099.db2.gz CDBWOFSRHLLHIR-LLVKDONJSA-N -1 3 377.408 3.453 20 0 GGADHM O=C(c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)N1CCc2ncccc21 ZINC000823488710 607320788 /nfs/dbraw/zinc/32/07/88/607320788.db2.gz STRRDYCHZOFDQE-UHFFFAOYSA-N -1 3 398.426 3.044 20 0 GGADHM O=C(c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)N1CCc2ncccc21 ZINC000823488710 607320789 /nfs/dbraw/zinc/32/07/89/607320789.db2.gz STRRDYCHZOFDQE-UHFFFAOYSA-N -1 3 398.426 3.044 20 0 GGADHM C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191763 599285008 /nfs/dbraw/zinc/28/50/08/599285008.db2.gz IOGLJVLAERFMNY-JTQLQIEISA-N -1 3 398.883 3.346 20 0 GGADHM C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191763 599285010 /nfs/dbraw/zinc/28/50/10/599285010.db2.gz IOGLJVLAERFMNY-JTQLQIEISA-N -1 3 398.883 3.346 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000821608512 599286820 /nfs/dbraw/zinc/28/68/20/599286820.db2.gz KNKFPTGWFADPOP-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000821608512 599286822 /nfs/dbraw/zinc/28/68/22/599286822.db2.gz KNKFPTGWFADPOP-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193836 599287780 /nfs/dbraw/zinc/28/77/80/599287780.db2.gz UHERAHPADAQBKC-GXFFZTMASA-N -1 3 389.510 3.162 20 0 GGADHM C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193836 599287782 /nfs/dbraw/zinc/28/77/82/599287782.db2.gz UHERAHPADAQBKC-GXFFZTMASA-N -1 3 389.510 3.162 20 0 GGADHM CC(C)OC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820142872 599288572 /nfs/dbraw/zinc/28/85/72/599288572.db2.gz ZFXDLORJIXOAPA-UHFFFAOYSA-N -1 3 398.389 3.307 20 0 GGADHM CC(C)OC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820142872 599288575 /nfs/dbraw/zinc/28/85/75/599288575.db2.gz ZFXDLORJIXOAPA-UHFFFAOYSA-N -1 3 398.389 3.307 20 0 GGADHM Cc1c(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)cccc1-c1nnn[n-]1 ZINC000822061776 607321891 /nfs/dbraw/zinc/32/18/91/607321891.db2.gz XQTMNJZTLQYZJN-MRXNPFEDSA-N -1 3 388.834 3.209 20 0 GGADHM Cc1c(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)cccc1-c1nn[n-]n1 ZINC000822061776 607321892 /nfs/dbraw/zinc/32/18/92/607321892.db2.gz XQTMNJZTLQYZJN-MRXNPFEDSA-N -1 3 388.834 3.209 20 0 GGADHM COC(=O)c1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000736950415 599290487 /nfs/dbraw/zinc/29/04/87/599290487.db2.gz ZFWHORJMGRAHHN-UHFFFAOYSA-N -1 3 388.840 3.116 20 0 GGADHM COC(=O)c1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000736950415 599290489 /nfs/dbraw/zinc/29/04/89/599290489.db2.gz ZFWHORJMGRAHHN-UHFFFAOYSA-N -1 3 388.840 3.116 20 0 GGADHM c1coc([C@@H]2CCCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000738406852 599290788 /nfs/dbraw/zinc/29/07/88/599290788.db2.gz UVOUYJHEHIIKBR-HNNXBMFYSA-N -1 3 377.408 3.237 20 0 GGADHM c1coc([C@@H]2CCCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000738406852 599290790 /nfs/dbraw/zinc/29/07/90/599290790.db2.gz UVOUYJHEHIIKBR-HNNXBMFYSA-N -1 3 377.408 3.237 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C(=O)[O-])CC1 ZINC000263421084 598119428 /nfs/dbraw/zinc/11/94/28/598119428.db2.gz OVULSSDVORJLMT-UHFFFAOYSA-N -1 3 378.270 3.240 20 0 GGADHM c1ccc2nc(N[C@H]3CCOC4(CCSCC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000823802433 607331456 /nfs/dbraw/zinc/33/14/56/607331456.db2.gz NTOFVPMTNVQPHZ-AWEZNQCLSA-N -1 3 382.493 3.272 20 0 GGADHM c1ccc2nc(N[C@H]3CCOC4(CCSCC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000823802433 607331457 /nfs/dbraw/zinc/33/14/57/607331457.db2.gz NTOFVPMTNVQPHZ-AWEZNQCLSA-N -1 3 382.493 3.272 20 0 GGADHM CCc1ccc([C@@H](N[C@@H](C)CC(=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000820479850 598212638 /nfs/dbraw/zinc/21/26/38/598212638.db2.gz DFRWMGYKTVSFCB-VBKZILBWSA-N -1 3 375.490 3.195 20 0 GGADHM CCc1ccc([C@@H](N[C@H](C)CC(=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000820479848 598212752 /nfs/dbraw/zinc/21/27/52/598212752.db2.gz DFRWMGYKTVSFCB-JLTOFOAXSA-N -1 3 375.490 3.195 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737919124 598232319 /nfs/dbraw/zinc/23/23/19/598232319.db2.gz KWNNFVGDOWWCNA-IBGZPJMESA-N -1 3 381.411 3.042 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737925433 598233090 /nfs/dbraw/zinc/23/30/90/598233090.db2.gz RZCUKBRJFLFLAC-LJQANCHMSA-N -1 3 381.411 3.042 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737925433 598233092 /nfs/dbraw/zinc/23/30/92/598233092.db2.gz RZCUKBRJFLFLAC-LJQANCHMSA-N -1 3 381.411 3.042 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000821690049 607347979 /nfs/dbraw/zinc/34/79/79/607347979.db2.gz XGKODXVIIOIDPZ-KRWDZBQOSA-N -1 3 397.504 3.023 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737963991 598235648 /nfs/dbraw/zinc/23/56/48/598235648.db2.gz WCSPTPDNHCKIJW-UHFFFAOYSA-N -1 3 383.402 3.094 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737963991 598235649 /nfs/dbraw/zinc/23/56/49/598235649.db2.gz WCSPTPDNHCKIJW-UHFFFAOYSA-N -1 3 383.402 3.094 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000821690049 607347980 /nfs/dbraw/zinc/34/79/80/607347980.db2.gz XGKODXVIIOIDPZ-KRWDZBQOSA-N -1 3 397.504 3.023 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736263375 598237754 /nfs/dbraw/zinc/23/77/54/598237754.db2.gz PSQKODCGEPFZDI-HOTGVXAUSA-N -1 3 383.496 3.453 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736263375 598237757 /nfs/dbraw/zinc/23/77/57/598237757.db2.gz PSQKODCGEPFZDI-HOTGVXAUSA-N -1 3 383.496 3.453 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736263377 598237838 /nfs/dbraw/zinc/23/78/38/598237838.db2.gz PSQKODCGEPFZDI-JKSUJKDBSA-N -1 3 383.496 3.453 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736263377 598237840 /nfs/dbraw/zinc/23/78/40/598237840.db2.gz PSQKODCGEPFZDI-JKSUJKDBSA-N -1 3 383.496 3.453 20 0 GGADHM Fc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c(F)c1 ZINC000737656867 598240231 /nfs/dbraw/zinc/24/02/31/598240231.db2.gz QFZJHYSZZRXPQH-UHFFFAOYSA-N -1 3 375.354 3.332 20 0 GGADHM Cc1nnc(N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000737519990 598245180 /nfs/dbraw/zinc/24/51/80/598245180.db2.gz GKXVRNGXCSYUMT-DGCLKSJQSA-N -1 3 375.358 3.260 20 0 GGADHM Cc1nnc(N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000737519990 598245182 /nfs/dbraw/zinc/24/51/82/598245182.db2.gz GKXVRNGXCSYUMT-DGCLKSJQSA-N -1 3 375.358 3.260 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2NCc1ccc2c(c1)CCO2 ZINC000737660864 598248756 /nfs/dbraw/zinc/24/87/56/598248756.db2.gz TWNNZUYLXRZRPN-UHFFFAOYSA-N -1 3 396.813 3.176 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2NCc1ccc2c(c1)CCO2 ZINC000737660864 598248758 /nfs/dbraw/zinc/24/87/58/598248758.db2.gz TWNNZUYLXRZRPN-UHFFFAOYSA-N -1 3 396.813 3.176 20 0 GGADHM CN(CCc1cccc2ccccc21)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736804554 598254284 /nfs/dbraw/zinc/25/42/84/598254284.db2.gz PPFAXTLSAIDKOO-UHFFFAOYSA-N -1 3 392.488 3.194 20 0 GGADHM CN(CCc1cccc2ccccc21)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736804554 598254287 /nfs/dbraw/zinc/25/42/87/598254287.db2.gz PPFAXTLSAIDKOO-UHFFFAOYSA-N -1 3 392.488 3.194 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCc2c1cccc2C ZINC000736637910 598263484 /nfs/dbraw/zinc/26/34/84/598263484.db2.gz URQKLZOTMWRUMM-INIZCTEOSA-N -1 3 378.436 3.383 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCc2c1cccc2C ZINC000736637910 598263485 /nfs/dbraw/zinc/26/34/85/598263485.db2.gz URQKLZOTMWRUMM-INIZCTEOSA-N -1 3 378.436 3.383 20 0 GGADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736263573 598263872 /nfs/dbraw/zinc/26/38/72/598263872.db2.gz QZSNCZBLJDMSGC-WBMJQRKESA-N -1 3 379.424 3.364 20 0 GGADHM CCC(O)(CC)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736371495 598263976 /nfs/dbraw/zinc/26/39/76/598263976.db2.gz VMLUCUMDSKZNST-UHFFFAOYSA-N -1 3 396.451 3.332 20 0 GGADHM CCC(O)(CC)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736371495 598263977 /nfs/dbraw/zinc/26/39/77/598263977.db2.gz VMLUCUMDSKZNST-UHFFFAOYSA-N -1 3 396.451 3.332 20 0 GGADHM COc1ccc([C@@H](O)CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)cc1 ZINC000821782217 607346412 /nfs/dbraw/zinc/34/64/12/607346412.db2.gz BNRRYOWQWZSUFM-HNNXBMFYSA-N -1 3 379.342 3.040 20 0 GGADHM COc1ccc([C@@H](O)CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)cc1 ZINC000821782217 607346414 /nfs/dbraw/zinc/34/64/14/607346414.db2.gz BNRRYOWQWZSUFM-HNNXBMFYSA-N -1 3 379.342 3.040 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736536366 598264998 /nfs/dbraw/zinc/26/49/98/598264998.db2.gz AZVAGFXMTJYHNZ-UHFFFAOYSA-N -1 3 394.304 3.274 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736536366 598265001 /nfs/dbraw/zinc/26/50/01/598265001.db2.gz AZVAGFXMTJYHNZ-UHFFFAOYSA-N -1 3 394.304 3.274 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737153302 598265542 /nfs/dbraw/zinc/26/55/42/598265542.db2.gz RSEAKYWMKGSTLR-UHFFFAOYSA-N -1 3 380.452 3.327 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737153302 598265544 /nfs/dbraw/zinc/26/55/44/598265544.db2.gz RSEAKYWMKGSTLR-UHFFFAOYSA-N -1 3 380.452 3.327 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737064163 598265775 /nfs/dbraw/zinc/26/57/75/598265775.db2.gz UZVWWXNPQXAFHJ-AWEZNQCLSA-N -1 3 382.399 3.036 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000737064163 598265777 /nfs/dbraw/zinc/26/57/77/598265777.db2.gz UZVWWXNPQXAFHJ-AWEZNQCLSA-N -1 3 382.399 3.036 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737151880 598265888 /nfs/dbraw/zinc/26/58/88/598265888.db2.gz GOWPAJKXLPRNQT-UHFFFAOYSA-N -1 3 384.415 3.157 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737151880 598265890 /nfs/dbraw/zinc/26/58/90/598265890.db2.gz GOWPAJKXLPRNQT-UHFFFAOYSA-N -1 3 384.415 3.157 20 0 GGADHM O=C(NCc1ccncc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738125123 598267679 /nfs/dbraw/zinc/26/76/79/598267679.db2.gz VDKOQNRESKUTQJ-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM O=C(NCc1ccncc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738125123 598267681 /nfs/dbraw/zinc/26/76/81/598267681.db2.gz VDKOQNRESKUTQJ-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000736655263 598271405 /nfs/dbraw/zinc/27/14/05/598271405.db2.gz SPKSNEJXKWVAAY-ZDUSSCGKSA-N -1 3 398.492 3.397 20 0 GGADHM CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000736655263 598271406 /nfs/dbraw/zinc/27/14/06/598271406.db2.gz SPKSNEJXKWVAAY-ZDUSSCGKSA-N -1 3 398.492 3.397 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(F)ccc1F ZINC000735874215 598271797 /nfs/dbraw/zinc/27/17/97/598271797.db2.gz OPPJJFWFSYSENV-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(F)ccc1F ZINC000735874215 598271799 /nfs/dbraw/zinc/27/17/99/598271799.db2.gz OPPJJFWFSYSENV-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM CCOc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736644289 598275017 /nfs/dbraw/zinc/27/50/17/598275017.db2.gz WXWMUKYMHSYFMK-UHFFFAOYSA-N -1 3 397.483 3.486 20 0 GGADHM CCOc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736644289 598275018 /nfs/dbraw/zinc/27/50/18/598275018.db2.gz WXWMUKYMHSYFMK-UHFFFAOYSA-N -1 3 397.483 3.486 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000735661014 598275909 /nfs/dbraw/zinc/27/59/09/598275909.db2.gz HDUHLASOLCVSAF-UHFFFAOYSA-N -1 3 392.467 3.269 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000735661014 598275911 /nfs/dbraw/zinc/27/59/11/598275911.db2.gz HDUHLASOLCVSAF-UHFFFAOYSA-N -1 3 392.467 3.269 20 0 GGADHM CN(CCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000736799870 598276786 /nfs/dbraw/zinc/27/67/86/598276786.db2.gz HETOWRFOWSYPDA-UHFFFAOYSA-N -1 3 396.499 3.071 20 0 GGADHM CN(CCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736799870 598276787 /nfs/dbraw/zinc/27/67/87/598276787.db2.gz HETOWRFOWSYPDA-UHFFFAOYSA-N -1 3 396.499 3.071 20 0 GGADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1sccc1-c1nnn[n-]1 ZINC000737975640 598278146 /nfs/dbraw/zinc/27/81/46/598278146.db2.gz SBYQTSNFHUVQTI-UHFFFAOYSA-N -1 3 386.824 3.418 20 0 GGADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1sccc1-c1nn[n-]n1 ZINC000737975640 598278148 /nfs/dbraw/zinc/27/81/48/598278148.db2.gz SBYQTSNFHUVQTI-UHFFFAOYSA-N -1 3 386.824 3.418 20 0 GGADHM O=C(C=Cc1cncc(F)c1)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737807066 598278446 /nfs/dbraw/zinc/27/84/46/598278446.db2.gz NGIQTCJKVUBEHY-LZCJLJQNSA-N -1 3 393.407 3.176 20 0 GGADHM O=C(C=Cc1cncc(F)c1)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737807066 598278447 /nfs/dbraw/zinc/27/84/47/598278447.db2.gz NGIQTCJKVUBEHY-LZCJLJQNSA-N -1 3 393.407 3.176 20 0 GGADHM CN(C(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736746877 598278673 /nfs/dbraw/zinc/27/86/73/598278673.db2.gz CFEJEJNULBUSTH-UHFFFAOYSA-N -1 3 385.161 3.123 20 0 GGADHM CN(C(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736746877 598278675 /nfs/dbraw/zinc/27/86/75/598278675.db2.gz CFEJEJNULBUSTH-UHFFFAOYSA-N -1 3 385.161 3.123 20 0 GGADHM Cc1cccc(OC[C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737401617 598279970 /nfs/dbraw/zinc/27/99/70/598279970.db2.gz NLFRJRRBIWBKCQ-AWEZNQCLSA-N -1 3 397.483 3.321 20 0 GGADHM Cc1cccc(OC[C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737401617 598279971 /nfs/dbraw/zinc/27/99/71/598279971.db2.gz NLFRJRRBIWBKCQ-AWEZNQCLSA-N -1 3 397.483 3.321 20 0 GGADHM CN(C(=O)c1cc(F)cc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736749218 598280133 /nfs/dbraw/zinc/28/01/33/598280133.db2.gz OASSAYOHDROXFF-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CN(C(=O)c1cc(F)cc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736749218 598280135 /nfs/dbraw/zinc/28/01/35/598280135.db2.gz OASSAYOHDROXFF-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM COc1ccc(S[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737115174 598280821 /nfs/dbraw/zinc/28/08/21/598280821.db2.gz LXGXHTRSIMBZIM-NSHDSACASA-N -1 3 387.440 3.158 20 0 GGADHM COc1ccc(S[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737115174 598280822 /nfs/dbraw/zinc/28/08/22/598280822.db2.gz LXGXHTRSIMBZIM-NSHDSACASA-N -1 3 387.440 3.158 20 0 GGADHM CC(=O)c1ccc(OCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735498796 598280875 /nfs/dbraw/zinc/28/08/75/598280875.db2.gz JXJHFKJKXGIDJO-UHFFFAOYSA-N -1 3 397.410 3.030 20 0 GGADHM CC(=O)c1ccc(OCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735498796 598280876 /nfs/dbraw/zinc/28/08/76/598280876.db2.gz JXJHFKJKXGIDJO-UHFFFAOYSA-N -1 3 397.410 3.030 20 0 GGADHM CCOc1ccc(OCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736650232 598281350 /nfs/dbraw/zinc/28/13/50/598281350.db2.gz CLCWIIQCHXKBDD-UHFFFAOYSA-N -1 3 399.426 3.227 20 0 GGADHM CCOc1ccc(OCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736650232 598281351 /nfs/dbraw/zinc/28/13/51/598281351.db2.gz CLCWIIQCHXKBDD-UHFFFAOYSA-N -1 3 399.426 3.227 20 0 GGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736236744 598281441 /nfs/dbraw/zinc/28/14/41/598281441.db2.gz MKWRVKCZRFTTLJ-QIIPPGSGSA-N -1 3 389.475 3.446 20 0 GGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736236744 598281442 /nfs/dbraw/zinc/28/14/42/598281442.db2.gz MKWRVKCZRFTTLJ-QIIPPGSGSA-N -1 3 389.475 3.446 20 0 GGADHM CN(C(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736737118 598282185 /nfs/dbraw/zinc/28/21/85/598282185.db2.gz MRWFNPMEFSJYJJ-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM CN(C(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736737118 598282186 /nfs/dbraw/zinc/28/21/86/598282186.db2.gz MRWFNPMEFSJYJJ-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM O=C(CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCCCC1 ZINC000737897658 598283656 /nfs/dbraw/zinc/28/36/56/598283656.db2.gz DFBSDRCZKUVAHP-UHFFFAOYSA-N -1 3 378.436 3.083 20 0 GGADHM O=C(CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCCC1 ZINC000737897658 598283657 /nfs/dbraw/zinc/28/36/57/598283657.db2.gz DFBSDRCZKUVAHP-UHFFFAOYSA-N -1 3 378.436 3.083 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCCc2ccccc21 ZINC000736812882 598284126 /nfs/dbraw/zinc/28/41/26/598284126.db2.gz IAACVHDJAJCLAJ-IBGZPJMESA-N -1 3 376.464 3.476 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCCc2ccccc21 ZINC000736812882 598284128 /nfs/dbraw/zinc/28/41/28/598284128.db2.gz IAACVHDJAJCLAJ-IBGZPJMESA-N -1 3 376.464 3.476 20 0 GGADHM CN(CCc1cccc2ccccc21)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736804836 598286525 /nfs/dbraw/zinc/28/65/25/598286525.db2.gz YFPKIUGATOQPTI-UHFFFAOYSA-N -1 3 386.459 3.133 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Br)cnc1Cl ZINC000737295351 598286576 /nfs/dbraw/zinc/28/65/76/598286576.db2.gz VCGIIAASNYYEJO-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Br)cnc1Cl ZINC000737295351 598286578 /nfs/dbraw/zinc/28/65/78/598286578.db2.gz VCGIIAASNYYEJO-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM COc1c(Cl)cc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737026280 598288458 /nfs/dbraw/zinc/28/84/58/598288458.db2.gz PRLVEXHXOGQGJL-UHFFFAOYSA-N -1 3 393.234 3.233 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000736329974 598288729 /nfs/dbraw/zinc/28/87/29/598288729.db2.gz BUMMQYANIYTMHY-LLVKDONJSA-N -1 3 379.848 3.074 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C(C)C ZINC000736329974 598288730 /nfs/dbraw/zinc/28/87/30/598288730.db2.gz BUMMQYANIYTMHY-LLVKDONJSA-N -1 3 379.848 3.074 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)nc1 ZINC000738233702 598290357 /nfs/dbraw/zinc/29/03/57/598290357.db2.gz SJCXNBKLFXENRE-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)nc1 ZINC000738233702 598290359 /nfs/dbraw/zinc/29/03/59/598290359.db2.gz SJCXNBKLFXENRE-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM CC(C)(C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1F ZINC000735582584 598290818 /nfs/dbraw/zinc/29/08/18/598290818.db2.gz LCZBUJQOFPZTEM-UHFFFAOYSA-N -1 3 379.395 3.280 20 0 GGADHM CC(C)(C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1F ZINC000735582584 598290819 /nfs/dbraw/zinc/29/08/19/598290819.db2.gz LCZBUJQOFPZTEM-UHFFFAOYSA-N -1 3 379.395 3.280 20 0 GGADHM C[C@@]1(C(=O)OCCOc2ccccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000736208553 598290830 /nfs/dbraw/zinc/29/08/30/598290830.db2.gz XWFHIJJYNHTORZ-OAQYLSRUSA-N -1 3 378.432 3.083 20 0 GGADHM C[C@@]1(C(=O)OCCOc2ccccc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000736208553 598290832 /nfs/dbraw/zinc/29/08/32/598290832.db2.gz XWFHIJJYNHTORZ-OAQYLSRUSA-N -1 3 378.432 3.083 20 0 GGADHM CC(C)[C@@H](CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000735706421 598291408 /nfs/dbraw/zinc/29/14/08/598291408.db2.gz AFNIVWZWIPVTDW-QGZVFWFLSA-N -1 3 380.452 3.047 20 0 GGADHM CC(C)[C@@H](CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000735706421 598291411 /nfs/dbraw/zinc/29/14/11/598291411.db2.gz AFNIVWZWIPVTDW-QGZVFWFLSA-N -1 3 380.452 3.047 20 0 GGADHM COc1ccccc1-c1c[nH]cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737143936 598291527 /nfs/dbraw/zinc/29/15/27/598291527.db2.gz VYRJQUHVNVALDT-UHFFFAOYSA-N -1 3 375.388 3.227 20 0 GGADHM COc1ccccc1-c1c[nH]cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737143936 598291529 /nfs/dbraw/zinc/29/15/29/598291529.db2.gz VYRJQUHVNVALDT-UHFFFAOYSA-N -1 3 375.388 3.227 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000736184225 598297402 /nfs/dbraw/zinc/29/74/02/598297402.db2.gz WVKUGIYVACLBGY-CYBMUJFWSA-N -1 3 393.422 3.242 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000736184225 598297404 /nfs/dbraw/zinc/29/74/04/598297404.db2.gz WVKUGIYVACLBGY-CYBMUJFWSA-N -1 3 393.422 3.242 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1ccc(OC(F)F)cc1 ZINC000737639750 598298052 /nfs/dbraw/zinc/29/80/52/598298052.db2.gz RZTXPERQJZEPDZ-UHFFFAOYSA-N -1 3 394.382 3.094 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1ccc(OC(F)F)cc1 ZINC000737639750 598298054 /nfs/dbraw/zinc/29/80/54/598298054.db2.gz RZTXPERQJZEPDZ-UHFFFAOYSA-N -1 3 394.382 3.094 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737488932 598299290 /nfs/dbraw/zinc/29/92/90/598299290.db2.gz BBOMQJWREZMLGD-UHFFFAOYSA-N -1 3 390.422 3.030 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737488932 598299291 /nfs/dbraw/zinc/29/92/91/598299291.db2.gz BBOMQJWREZMLGD-UHFFFAOYSA-N -1 3 390.422 3.030 20 0 GGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736183969 598299588 /nfs/dbraw/zinc/29/95/88/598299588.db2.gz VFHHFJSKOVDDOU-ZDUSSCGKSA-N -1 3 383.427 3.213 20 0 GGADHM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736183969 598299590 /nfs/dbraw/zinc/29/95/90/598299590.db2.gz VFHHFJSKOVDDOU-ZDUSSCGKSA-N -1 3 383.427 3.213 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737114209 598300049 /nfs/dbraw/zinc/30/00/49/598300049.db2.gz HZUNZQPFPWAFKW-AWEZNQCLSA-N -1 3 395.438 3.141 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737114209 598300050 /nfs/dbraw/zinc/30/00/50/598300050.db2.gz HZUNZQPFPWAFKW-AWEZNQCLSA-N -1 3 395.438 3.141 20 0 GGADHM O=C(CSCc1cccc(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737935330 598304881 /nfs/dbraw/zinc/30/48/81/598304881.db2.gz BQPLOEWGYKNOTO-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM O=C(CSCc1cccc(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737935330 598304882 /nfs/dbraw/zinc/30/48/82/598304882.db2.gz BQPLOEWGYKNOTO-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM CN(C(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736737376 598308295 /nfs/dbraw/zinc/30/82/95/598308295.db2.gz PVQLLURDPDUHLM-UHFFFAOYSA-N -1 3 395.316 3.066 20 0 GGADHM CN(C(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736737376 598308296 /nfs/dbraw/zinc/30/82/96/598308296.db2.gz PVQLLURDPDUHLM-UHFFFAOYSA-N -1 3 395.316 3.066 20 0 GGADHM Cc1nc2sc3c(c2c(NCc2ccc(-c4nnn[n-]4)cc2F)n1)CCC3 ZINC000737483769 598310219 /nfs/dbraw/zinc/31/02/19/598310219.db2.gz ZICKSOLDHRRFRW-UHFFFAOYSA-N -1 3 381.440 3.420 20 0 GGADHM Cc1nc2sc3c(c2c(NCc2ccc(-c4nn[n-]n4)cc2F)n1)CCC3 ZINC000737483769 598310221 /nfs/dbraw/zinc/31/02/21/598310221.db2.gz ZICKSOLDHRRFRW-UHFFFAOYSA-N -1 3 381.440 3.420 20 0 GGADHM CN(C(=O)CSc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739326 598311245 /nfs/dbraw/zinc/31/12/45/598311245.db2.gz KWQMPTOWDNCCEC-UHFFFAOYSA-N -1 3 377.832 3.414 20 0 GGADHM CN(C(=O)CSc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739326 598311246 /nfs/dbraw/zinc/31/12/46/598311246.db2.gz KWQMPTOWDNCCEC-UHFFFAOYSA-N -1 3 377.832 3.414 20 0 GGADHM Cc1cc(-c2noc([C@H](C)NCc3ccc(-c4nnn[n-]4)cc3F)n2)ccc1F ZINC000737225934 598313535 /nfs/dbraw/zinc/31/35/35/598313535.db2.gz LMGFTEXDYKEFPC-NSHDSACASA-N -1 3 397.389 3.354 20 0 GGADHM Cc1cc(-c2noc([C@H](C)NCc3ccc(-c4nn[n-]n4)cc3F)n2)ccc1F ZINC000737225934 598313537 /nfs/dbraw/zinc/31/35/37/598313537.db2.gz LMGFTEXDYKEFPC-NSHDSACASA-N -1 3 397.389 3.354 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccccc1OCc1cccnc1 ZINC000737639010 598315032 /nfs/dbraw/zinc/31/50/32/598315032.db2.gz MIRNALULFMRUNA-UHFFFAOYSA-N -1 3 390.422 3.270 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000737640420 598315078 /nfs/dbraw/zinc/31/50/78/598315078.db2.gz VZIOJPYXUOQESA-UHFFFAOYSA-N -1 3 383.818 3.135 20 0 GGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735912898 598317463 /nfs/dbraw/zinc/31/74/63/598317463.db2.gz JCQSFJUTQCPZGH-CYBMUJFWSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735912898 598317465 /nfs/dbraw/zinc/31/74/65/598317465.db2.gz JCQSFJUTQCPZGH-CYBMUJFWSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735915597 598318481 /nfs/dbraw/zinc/31/84/81/598318481.db2.gz QKVZHCWSSOSVJR-CYBMUJFWSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735915597 598318482 /nfs/dbraw/zinc/31/84/82/598318482.db2.gz QKVZHCWSSOSVJR-CYBMUJFWSA-N -1 3 398.442 3.353 20 0 GGADHM Fc1ccc(OCCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737656953 598318916 /nfs/dbraw/zinc/31/89/16/598318916.db2.gz RDNOFAGGRREJTC-UHFFFAOYSA-N -1 3 392.847 3.025 20 0 GGADHM Fc1ccc(OCCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737656953 598318917 /nfs/dbraw/zinc/31/89/17/598318917.db2.gz RDNOFAGGRREJTC-UHFFFAOYSA-N -1 3 392.847 3.025 20 0 GGADHM Cc1[nH]c2ccc(CNC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2c1C ZINC000737201113 598319461 /nfs/dbraw/zinc/31/94/61/598319461.db2.gz YXLKTJLXNOVWON-UHFFFAOYSA-N -1 3 393.426 3.103 20 0 GGADHM Cc1[nH]c2ccc(CNC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2c1C ZINC000737201113 598319463 /nfs/dbraw/zinc/31/94/63/598319463.db2.gz YXLKTJLXNOVWON-UHFFFAOYSA-N -1 3 393.426 3.103 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H]1CCc2c1cccc2Cl ZINC000738098801 598319865 /nfs/dbraw/zinc/31/98/65/598319865.db2.gz DJEDEQGVNFDTOH-INIZCTEOSA-N -1 3 386.818 3.146 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H]1CCc2c1cccc2Cl ZINC000738098801 598319867 /nfs/dbraw/zinc/31/98/67/598319867.db2.gz DJEDEQGVNFDTOH-INIZCTEOSA-N -1 3 386.818 3.146 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2)o1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738100655 598319909 /nfs/dbraw/zinc/31/99/09/598319909.db2.gz CMCCXLCDFKNTAQ-UHFFFAOYSA-N -1 3 392.394 3.265 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2)o1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738100655 598319910 /nfs/dbraw/zinc/31/99/10/598319910.db2.gz CMCCXLCDFKNTAQ-UHFFFAOYSA-N -1 3 392.394 3.265 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736269410 598320102 /nfs/dbraw/zinc/32/01/02/598320102.db2.gz GTJGXOLVWLYIJZ-XHDPSFHLSA-N -1 3 394.932 3.402 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736269410 598320103 /nfs/dbraw/zinc/32/01/03/598320103.db2.gz GTJGXOLVWLYIJZ-XHDPSFHLSA-N -1 3 394.932 3.402 20 0 GGADHM COCc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737017239 598320987 /nfs/dbraw/zinc/32/09/87/598320987.db2.gz MJTLBUCZBHHAJR-UHFFFAOYSA-N -1 3 388.884 3.153 20 0 GGADHM COCc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737017239 598320989 /nfs/dbraw/zinc/32/09/89/598320989.db2.gz MJTLBUCZBHHAJR-UHFFFAOYSA-N -1 3 388.884 3.153 20 0 GGADHM C[C@@H](Cc1ccsc1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736065591 598322144 /nfs/dbraw/zinc/32/21/44/598322144.db2.gz DULXLOLHGMPNDC-VIFPVBQESA-N -1 3 378.914 3.499 20 0 GGADHM C[C@@H](Cc1ccsc1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736065591 598322146 /nfs/dbraw/zinc/32/21/46/598322146.db2.gz DULXLOLHGMPNDC-VIFPVBQESA-N -1 3 378.914 3.499 20 0 GGADHM CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735915578 598323342 /nfs/dbraw/zinc/32/33/42/598323342.db2.gz PZLYVBGYHLXHFX-UHFFFAOYSA-N -1 3 388.378 3.254 20 0 GGADHM CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735915578 598323344 /nfs/dbraw/zinc/32/33/44/598323344.db2.gz PZLYVBGYHLXHFX-UHFFFAOYSA-N -1 3 388.378 3.254 20 0 GGADHM COc1ccc2c(c1)CCN2C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737118388 598324643 /nfs/dbraw/zinc/32/46/43/598324643.db2.gz DMRHMKPSZRYRPJ-UHFFFAOYSA-N -1 3 386.868 3.288 20 0 GGADHM COc1ccc2c(c1)CCN2C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737118388 598324645 /nfs/dbraw/zinc/32/46/45/598324645.db2.gz DMRHMKPSZRYRPJ-UHFFFAOYSA-N -1 3 386.868 3.288 20 0 GGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000738206112 598326289 /nfs/dbraw/zinc/32/62/89/598326289.db2.gz CKNSCLPPJWCWJL-UHFFFAOYSA-N -1 3 398.429 3.033 20 0 GGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000738206112 598326291 /nfs/dbraw/zinc/32/62/91/598326291.db2.gz CKNSCLPPJWCWJL-UHFFFAOYSA-N -1 3 398.429 3.033 20 0 GGADHM CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@H](C)c1ccc(F)cc1 ZINC000736504665 598327694 /nfs/dbraw/zinc/32/76/94/598327694.db2.gz CTRVMSFAGFRXEC-GFCCVEGCSA-N -1 3 386.406 3.438 20 0 GGADHM CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@H](C)c1ccc(F)cc1 ZINC000736504665 598327696 /nfs/dbraw/zinc/32/76/96/598327696.db2.gz CTRVMSFAGFRXEC-GFCCVEGCSA-N -1 3 386.406 3.438 20 0 GGADHM CN(CC1CCCC1)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736795821 598331465 /nfs/dbraw/zinc/33/14/65/598331465.db2.gz YVRICOMOPWJLHO-UHFFFAOYSA-N -1 3 381.436 3.301 20 0 GGADHM CN(CC1CCCC1)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736795821 598331467 /nfs/dbraw/zinc/33/14/67/598331467.db2.gz YVRICOMOPWJLHO-UHFFFAOYSA-N -1 3 381.436 3.301 20 0 GGADHM Brc1cccc([C@H]2C[C@H]2Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000735369849 598353793 /nfs/dbraw/zinc/35/37/93/598353793.db2.gz YJMOUQJWIFKZAI-CZUORRHYSA-N -1 3 397.280 3.481 20 0 GGADHM Brc1cccc([C@H]2C[C@H]2Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000735369849 598353795 /nfs/dbraw/zinc/35/37/95/598353795.db2.gz YJMOUQJWIFKZAI-CZUORRHYSA-N -1 3 397.280 3.481 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000738178744 598359115 /nfs/dbraw/zinc/35/91/15/598359115.db2.gz KJIGETIAMYCRQO-GJZGRUSLSA-N -1 3 399.252 3.307 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000738178744 598359116 /nfs/dbraw/zinc/35/91/16/598359116.db2.gz KJIGETIAMYCRQO-GJZGRUSLSA-N -1 3 399.252 3.307 20 0 GGADHM CC(C)(C)OCCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735639774 598360024 /nfs/dbraw/zinc/36/00/24/598360024.db2.gz OHFUQYCLOVXZNZ-UHFFFAOYSA-N -1 3 386.408 3.011 20 0 GGADHM CC(C)(C)OCCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735639774 598360026 /nfs/dbraw/zinc/36/00/26/598360026.db2.gz OHFUQYCLOVXZNZ-UHFFFAOYSA-N -1 3 386.408 3.011 20 0 GGADHM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738182552 598361197 /nfs/dbraw/zinc/36/11/97/598361197.db2.gz GDEHCWSNHGPTGV-UHFFFAOYSA-N -1 3 399.410 3.476 20 0 GGADHM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738182552 598361199 /nfs/dbraw/zinc/36/11/99/598361199.db2.gz GDEHCWSNHGPTGV-UHFFFAOYSA-N -1 3 399.410 3.476 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737146622 598361353 /nfs/dbraw/zinc/36/13/53/598361353.db2.gz IFAHSFQPDSILIL-GOSISDBHSA-N -1 3 393.447 3.008 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737146622 598361355 /nfs/dbraw/zinc/36/13/55/598361355.db2.gz IFAHSFQPDSILIL-GOSISDBHSA-N -1 3 393.447 3.008 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000736167809 598361455 /nfs/dbraw/zinc/36/14/55/598361455.db2.gz GLZMXZJQVVHXAI-FUHWJXTLSA-N -1 3 391.475 3.115 20 0 GGADHM O=C(OCCc1ccsc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738223555 598364319 /nfs/dbraw/zinc/36/43/19/598364319.db2.gz SULVXNLSQIYNHW-UHFFFAOYSA-N -1 3 396.428 3.500 20 0 GGADHM O=C(OCCc1ccsc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738223555 598364321 /nfs/dbraw/zinc/36/43/21/598364321.db2.gz SULVXNLSQIYNHW-UHFFFAOYSA-N -1 3 396.428 3.500 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000737802041 598366976 /nfs/dbraw/zinc/36/69/76/598366976.db2.gz OKLGDMLVQWBBNV-ZHACJKMWSA-N -1 3 398.430 3.181 20 0 GGADHM COc1cc2nc(C)sc2cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737056528 598367251 /nfs/dbraw/zinc/36/72/51/598367251.db2.gz WSIXNDOBNUJTRB-FPLPWBNLSA-N -1 3 392.444 3.445 20 0 GGADHM COc1cc2nc(C)sc2cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737056528 598367253 /nfs/dbraw/zinc/36/72/53/598367253.db2.gz WSIXNDOBNUJTRB-FPLPWBNLSA-N -1 3 392.444 3.445 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737511328 598368686 /nfs/dbraw/zinc/36/86/86/598368686.db2.gz JTKRAFJBSOSSNM-CQSZACIVSA-N -1 3 375.839 3.038 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000737511328 598368687 /nfs/dbraw/zinc/36/86/87/598368687.db2.gz JTKRAFJBSOSSNM-CQSZACIVSA-N -1 3 375.839 3.038 20 0 GGADHM Fc1cc(CSCc2cc(-c3nnn[n-]3)ccc2F)c2c(c1)COCO2 ZINC000737652929 598369967 /nfs/dbraw/zinc/36/99/67/598369967.db2.gz PNHJOXUWQSXFIY-UHFFFAOYSA-N -1 3 376.388 3.445 20 0 GGADHM Fc1cc(CSCc2cc(-c3nn[n-]n3)ccc2F)c2c(c1)COCO2 ZINC000737652929 598369968 /nfs/dbraw/zinc/36/99/68/598369968.db2.gz PNHJOXUWQSXFIY-UHFFFAOYSA-N -1 3 376.388 3.445 20 0 GGADHM C[C@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736148378 598370913 /nfs/dbraw/zinc/37/09/13/598370913.db2.gz HBOOVEQSZNIKJI-CHWSQXEVSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736148378 598370915 /nfs/dbraw/zinc/37/09/15/598370915.db2.gz HBOOVEQSZNIKJI-CHWSQXEVSA-N -1 3 397.410 3.070 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000736819241 598371122 /nfs/dbraw/zinc/37/11/22/598371122.db2.gz BPOIIXGOUUCBNE-UHFFFAOYSA-N -1 3 376.464 3.128 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000736819241 598371124 /nfs/dbraw/zinc/37/11/24/598371124.db2.gz BPOIIXGOUUCBNE-UHFFFAOYSA-N -1 3 376.464 3.128 20 0 GGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc(F)c(Cl)c1 ZINC000738388401 598372957 /nfs/dbraw/zinc/37/29/57/598372957.db2.gz SQHZZCFAHJJDHA-NSHDSACASA-N -1 3 380.832 3.191 20 0 GGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(C(F)(F)F)cc1 ZINC000738317703 598379646 /nfs/dbraw/zinc/37/96/46/598379646.db2.gz FWFMXRDZDKSUCS-ZROIWOOFSA-N -1 3 385.305 3.230 20 0 GGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(C(F)(F)F)cc1 ZINC000738317703 598379647 /nfs/dbraw/zinc/37/96/47/598379647.db2.gz FWFMXRDZDKSUCS-ZROIWOOFSA-N -1 3 385.305 3.230 20 0 GGADHM CO[C@H](C)c1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736962082 598381890 /nfs/dbraw/zinc/38/18/90/598381890.db2.gz NCNDQBWFRGIJEL-CYBMUJFWSA-N -1 3 383.477 3.446 20 0 GGADHM CO[C@H](C)c1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736962082 598381892 /nfs/dbraw/zinc/38/18/92/598381892.db2.gz NCNDQBWFRGIJEL-CYBMUJFWSA-N -1 3 383.477 3.446 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000737896766 598383526 /nfs/dbraw/zinc/38/35/26/598383526.db2.gz YJLBBJOCQGCJSN-RTBURBONSA-N -1 3 376.464 3.121 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736114427 598389563 /nfs/dbraw/zinc/38/95/63/598389563.db2.gz CNQLIOJJOHXCPC-GFCCVEGCSA-N -1 3 390.463 3.135 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)C ZINC000821082018 607355869 /nfs/dbraw/zinc/35/58/69/607355869.db2.gz FCHMBIBIXZBNST-UHFFFAOYSA-N -1 3 398.492 3.441 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)C ZINC000821082018 607355871 /nfs/dbraw/zinc/35/58/71/607355871.db2.gz FCHMBIBIXZBNST-UHFFFAOYSA-N -1 3 398.492 3.441 20 0 GGADHM CN(Cc1cccc(Br)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736823311 598390508 /nfs/dbraw/zinc/39/05/08/598390508.db2.gz VYQFLNOVIJIXIB-UHFFFAOYSA-N -1 3 379.649 3.314 20 0 GGADHM O=C(Nc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1)C1CCC1 ZINC000738183855 598390385 /nfs/dbraw/zinc/39/03/85/598390385.db2.gz OOWIPOIQWLUZLF-UHFFFAOYSA-N -1 3 383.843 3.266 20 0 GGADHM O=C(Nc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1)C1CCC1 ZINC000738183855 598390387 /nfs/dbraw/zinc/39/03/87/598390387.db2.gz OOWIPOIQWLUZLF-UHFFFAOYSA-N -1 3 383.843 3.266 20 0 GGADHM CN(Cc1cccc(Br)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736823311 598390506 /nfs/dbraw/zinc/39/05/06/598390506.db2.gz VYQFLNOVIJIXIB-UHFFFAOYSA-N -1 3 379.649 3.314 20 0 GGADHM CN(Cc1cc(Br)ccc1F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736814206 598392010 /nfs/dbraw/zinc/39/20/10/598392010.db2.gz JAXXFDSQVOMYOQ-UHFFFAOYSA-N -1 3 397.639 3.453 20 0 GGADHM CN(Cc1cc(Br)ccc1F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736814206 598392012 /nfs/dbraw/zinc/39/20/12/598392012.db2.gz JAXXFDSQVOMYOQ-UHFFFAOYSA-N -1 3 397.639 3.453 20 0 GGADHM Cc1ccccc1C1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCOCC1 ZINC000737424886 598392667 /nfs/dbraw/zinc/39/26/67/598392667.db2.gz YVJGVTLPBPGVAL-UHFFFAOYSA-N -1 3 384.871 3.384 20 0 GGADHM Cc1ccccc1C1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCOCC1 ZINC000737424886 598392669 /nfs/dbraw/zinc/39/26/69/598392669.db2.gz YVJGVTLPBPGVAL-UHFFFAOYSA-N -1 3 384.871 3.384 20 0 GGADHM O=C(N[C@H]1CCc2ccc(F)cc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738034538 598392974 /nfs/dbraw/zinc/39/29/74/598392974.db2.gz HGHNERPVQWAJNO-IBGZPJMESA-N -1 3 392.438 3.367 20 0 GGADHM O=C(N[C@H]1CCc2ccc(F)cc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738034538 598392976 /nfs/dbraw/zinc/39/29/76/598392976.db2.gz HGHNERPVQWAJNO-IBGZPJMESA-N -1 3 392.438 3.367 20 0 GGADHM COc1ccccc1C/C(C)=C\C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152938 598396216 /nfs/dbraw/zinc/39/62/16/598396216.db2.gz MYDCQUCYKTYRTR-SEWDUPMJSA-N -1 3 377.448 3.242 20 0 GGADHM COc1ccccc1C/C(C)=C\C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152938 598396217 /nfs/dbraw/zinc/39/62/17/598396217.db2.gz MYDCQUCYKTYRTR-SEWDUPMJSA-N -1 3 377.448 3.242 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000589092393 598413267 /nfs/dbraw/zinc/41/32/67/598413267.db2.gz MKYAQPMJADDNSC-JTQLQIEISA-N -1 3 377.326 3.292 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000589092393 598413268 /nfs/dbraw/zinc/41/32/68/598413268.db2.gz MKYAQPMJADDNSC-JTQLQIEISA-N -1 3 377.326 3.292 20 0 GGADHM Cc1c(Br)cccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737201689 598413343 /nfs/dbraw/zinc/41/33/43/598413343.db2.gz HCPMLWRXZHQRNT-UHFFFAOYSA-N -1 3 387.241 3.259 20 0 GGADHM Cc1c(Br)cccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737201689 598413344 /nfs/dbraw/zinc/41/33/44/598413344.db2.gz HCPMLWRXZHQRNT-UHFFFAOYSA-N -1 3 387.241 3.259 20 0 GGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000518415419 598416132 /nfs/dbraw/zinc/41/61/32/598416132.db2.gz BRJUTKSKHXEPPI-SNVBAGLBSA-N -1 3 392.246 3.257 20 0 GGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000518415419 598416133 /nfs/dbraw/zinc/41/61/33/598416133.db2.gz BRJUTKSKHXEPPI-SNVBAGLBSA-N -1 3 392.246 3.257 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000736625592 598419029 /nfs/dbraw/zinc/41/90/29/598419029.db2.gz CXUGGVWZKXSQMA-DLBZAZTESA-N -1 3 393.447 3.041 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000736625592 598419031 /nfs/dbraw/zinc/41/90/31/598419031.db2.gz CXUGGVWZKXSQMA-DLBZAZTESA-N -1 3 393.447 3.041 20 0 GGADHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736772683 598419422 /nfs/dbraw/zinc/41/94/22/598419422.db2.gz GUUBBEHDYXTSAB-GJZGRUSLSA-N -1 3 394.504 3.225 20 0 GGADHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736772683 598419424 /nfs/dbraw/zinc/41/94/24/598419424.db2.gz GUUBBEHDYXTSAB-GJZGRUSLSA-N -1 3 394.504 3.225 20 0 GGADHM c1cc2c(s1)CCCN(Cn1ccc(-c3ccc(-c4nnn[n-]4)cc3)n1)C2 ZINC000738422463 598419906 /nfs/dbraw/zinc/41/99/06/598419906.db2.gz ZSAKNCPZFYHTOS-UHFFFAOYSA-N -1 3 377.477 3.198 20 0 GGADHM c1cc2c(s1)CCCN(Cn1ccc(-c3ccc(-c4nn[n-]n4)cc3)n1)C2 ZINC000738422463 598419908 /nfs/dbraw/zinc/41/99/08/598419908.db2.gz ZSAKNCPZFYHTOS-UHFFFAOYSA-N -1 3 377.477 3.198 20 0 GGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCCOc2ccc(C(F)(F)F)cc2)n1 ZINC000737470414 598420371 /nfs/dbraw/zinc/42/03/71/598420371.db2.gz IOPDAKRVHHEHGY-UHFFFAOYSA-N -1 3 396.398 3.463 20 0 GGADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCCOc2ccc(C(F)(F)F)cc2)n1 ZINC000737470414 598420373 /nfs/dbraw/zinc/42/03/73/598420373.db2.gz IOPDAKRVHHEHGY-UHFFFAOYSA-N -1 3 396.398 3.463 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152625 598421230 /nfs/dbraw/zinc/42/12/30/598421230.db2.gz KVSLVIQPUVGWDJ-HUUCEWRRSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152625 598421232 /nfs/dbraw/zinc/42/12/32/598421232.db2.gz KVSLVIQPUVGWDJ-HUUCEWRRSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737153128 598421512 /nfs/dbraw/zinc/42/15/12/598421512.db2.gz QNTFGWSABJZCPS-HNNXBMFYSA-N -1 3 379.464 3.103 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737153128 598421513 /nfs/dbraw/zinc/42/15/13/598421513.db2.gz QNTFGWSABJZCPS-HNNXBMFYSA-N -1 3 379.464 3.103 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737246118 598422016 /nfs/dbraw/zinc/42/20/16/598422016.db2.gz JRVKBHIYYCFEDX-MRXNPFEDSA-N -1 3 379.464 3.438 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737246118 598422018 /nfs/dbraw/zinc/42/20/18/598422018.db2.gz JRVKBHIYYCFEDX-MRXNPFEDSA-N -1 3 379.464 3.438 20 0 GGADHM Cc1cc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000737263778 598428392 /nfs/dbraw/zinc/42/83/92/598428392.db2.gz JJQJUOLFKGSHKV-UHFFFAOYSA-N -1 3 382.443 3.434 20 0 GGADHM Cc1cc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000737263778 598428393 /nfs/dbraw/zinc/42/83/93/598428393.db2.gz JJQJUOLFKGSHKV-UHFFFAOYSA-N -1 3 382.443 3.434 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOC1CCCCC1 ZINC000735874121 598429305 /nfs/dbraw/zinc/42/93/05/598429305.db2.gz IAGQVEGNCSWMQS-UHFFFAOYSA-N -1 3 386.500 3.136 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOC1CCCCC1 ZINC000735874121 598429307 /nfs/dbraw/zinc/42/93/07/598429307.db2.gz IAGQVEGNCSWMQS-UHFFFAOYSA-N -1 3 386.500 3.136 20 0 GGADHM COC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000736976033 598430406 /nfs/dbraw/zinc/43/04/06/598430406.db2.gz CGGQGDSLTPKHPM-IBGZPJMESA-N -1 3 394.479 3.174 20 0 GGADHM COC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000736976033 598430408 /nfs/dbraw/zinc/43/04/08/598430408.db2.gz CGGQGDSLTPKHPM-IBGZPJMESA-N -1 3 394.479 3.174 20 0 GGADHM CCc1ccc(-n2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c3c2CCC3)cc1 ZINC000508695004 598435326 /nfs/dbraw/zinc/43/53/26/598435326.db2.gz OIJACAFKACCQQP-UHFFFAOYSA-N -1 3 399.458 3.356 20 0 GGADHM CCc1ccc(-n2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c3c2CCC3)cc1 ZINC000508695004 598435329 /nfs/dbraw/zinc/43/53/29/598435329.db2.gz OIJACAFKACCQQP-UHFFFAOYSA-N -1 3 399.458 3.356 20 0 GGADHM COc1ccc([C@@H](C)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737071329 598439631 /nfs/dbraw/zinc/43/96/31/598439631.db2.gz DOOUTMNJQQOFRN-CQSZACIVSA-N -1 3 397.504 3.028 20 0 GGADHM COc1ccc([C@@H](C)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737071329 598439633 /nfs/dbraw/zinc/43/96/33/598439633.db2.gz DOOUTMNJQQOFRN-CQSZACIVSA-N -1 3 397.504 3.028 20 0 GGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738113626 598440116 /nfs/dbraw/zinc/44/01/16/598440116.db2.gz ZVZOMSQHQNTJFM-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738113626 598440118 /nfs/dbraw/zinc/44/01/18/598440118.db2.gz ZVZOMSQHQNTJFM-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM Cc1ccccc1-c1nc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000600201244 598441614 /nfs/dbraw/zinc/44/16/14/598441614.db2.gz NJHSFGVYYNGPDH-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1ccccc1-c1nc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000600201244 598441615 /nfs/dbraw/zinc/44/16/15/598441615.db2.gz NJHSFGVYYNGPDH-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM CC(C)COc1ccc(C(C)(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735838502 598441861 /nfs/dbraw/zinc/44/18/61/598441861.db2.gz RRVUEVJJTIMUJL-UHFFFAOYSA-N -1 3 393.491 3.496 20 0 GGADHM CC(C)COc1ccc(C(C)(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735838502 598441863 /nfs/dbraw/zinc/44/18/63/598441863.db2.gz RRVUEVJJTIMUJL-UHFFFAOYSA-N -1 3 393.491 3.496 20 0 GGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736197937 598442597 /nfs/dbraw/zinc/44/25/97/598442597.db2.gz FGIBAMNVNOAAON-SECBINFHSA-N -1 3 377.235 3.402 20 0 GGADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736197937 598442599 /nfs/dbraw/zinc/44/25/99/598442599.db2.gz FGIBAMNVNOAAON-SECBINFHSA-N -1 3 377.235 3.402 20 0 GGADHM COc1ccccc1C(C)=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737142673 598442765 /nfs/dbraw/zinc/44/27/65/598442765.db2.gz OYAHMRVHSGCVCS-FYWRMAATSA-N -1 3 389.459 3.470 20 0 GGADHM COc1ccccc1C(C)=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737142673 598442768 /nfs/dbraw/zinc/44/27/68/598442768.db2.gz OYAHMRVHSGCVCS-FYWRMAATSA-N -1 3 389.459 3.470 20 0 GGADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738185443 598444125 /nfs/dbraw/zinc/44/41/25/598444125.db2.gz XLZORXXAXZOHML-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738185443 598444127 /nfs/dbraw/zinc/44/41/27/598444127.db2.gz XLZORXXAXZOHML-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM CC(C)Oc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735913349 598444619 /nfs/dbraw/zinc/44/46/19/598444619.db2.gz BJDJZKJJXLGDQA-GFCCVEGCSA-N -1 3 385.399 3.199 20 0 GGADHM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737219150 598447314 /nfs/dbraw/zinc/44/73/14/598447314.db2.gz QEVRKHOTBXGLPO-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737219150 598447315 /nfs/dbraw/zinc/44/73/15/598447315.db2.gz QEVRKHOTBXGLPO-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM CCOCCN(CC)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736618204 598455439 /nfs/dbraw/zinc/45/54/39/598455439.db2.gz IXQRDNONBSWCAO-UHFFFAOYSA-N -1 3 381.436 3.158 20 0 GGADHM CCOCCN(CC)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736618204 598455441 /nfs/dbraw/zinc/45/54/41/598455441.db2.gz IXQRDNONBSWCAO-UHFFFAOYSA-N -1 3 381.436 3.158 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000736181750 598455748 /nfs/dbraw/zinc/45/57/48/598455748.db2.gz MIZPCMGVKVHCKC-WMZOPIPTSA-N -1 3 391.475 3.430 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000736181750 598455749 /nfs/dbraw/zinc/45/57/49/598455749.db2.gz MIZPCMGVKVHCKC-WMZOPIPTSA-N -1 3 391.475 3.430 20 0 GGADHM Cn1ccc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)n1 ZINC000737611743 598462050 /nfs/dbraw/zinc/46/20/50/598462050.db2.gz GMPOBDZSHRHMAT-UHFFFAOYSA-N -1 3 377.433 3.004 20 0 GGADHM Cn1ccc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)n1 ZINC000737611743 598462052 /nfs/dbraw/zinc/46/20/52/598462052.db2.gz GMPOBDZSHRHMAT-UHFFFAOYSA-N -1 3 377.433 3.004 20 0 GGADHM O=c1c2ccccc2c(-c2cccs2)nn1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738380617 598471992 /nfs/dbraw/zinc/47/19/92/598471992.db2.gz PMRYJAKOMBNHAZ-UHFFFAOYSA-N -1 3 386.440 3.353 20 0 GGADHM O=c1c2ccccc2c(-c2cccs2)nn1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738380617 598471994 /nfs/dbraw/zinc/47/19/94/598471994.db2.gz PMRYJAKOMBNHAZ-UHFFFAOYSA-N -1 3 386.440 3.353 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000738152400 598472706 /nfs/dbraw/zinc/47/27/06/598472706.db2.gz XSCYQBPCTPUZKL-HNNXBMFYSA-N -1 3 398.398 3.208 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000738152400 598472708 /nfs/dbraw/zinc/47/27/08/598472708.db2.gz XSCYQBPCTPUZKL-HNNXBMFYSA-N -1 3 398.398 3.208 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000736481147 598473212 /nfs/dbraw/zinc/47/32/12/598473212.db2.gz UUXYUZPLDPMKKZ-LBPRGKRZSA-N -1 3 385.497 3.314 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000736481147 598473213 /nfs/dbraw/zinc/47/32/13/598473213.db2.gz UUXYUZPLDPMKKZ-LBPRGKRZSA-N -1 3 385.497 3.314 20 0 GGADHM CCn1c(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC000736720686 598473326 /nfs/dbraw/zinc/47/33/26/598473326.db2.gz WSSHGLLARFAMMI-JXMROGBWSA-N -1 3 392.394 3.132 20 0 GGADHM CCn1c(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)nc2cc(F)ccc21 ZINC000736720686 598473327 /nfs/dbraw/zinc/47/33/27/598473327.db2.gz WSSHGLLARFAMMI-JXMROGBWSA-N -1 3 392.394 3.132 20 0 GGADHM O=C(CSc1ccccc1Cl)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826421078 607358050 /nfs/dbraw/zinc/35/80/50/607358050.db2.gz QRNCMEKTDGYJTM-UHFFFAOYSA-N -1 3 388.836 3.038 20 0 GGADHM O=C(CSc1ccccc1Cl)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826421078 607358052 /nfs/dbraw/zinc/35/80/52/607358052.db2.gz QRNCMEKTDGYJTM-UHFFFAOYSA-N -1 3 388.836 3.038 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000735488231 598473946 /nfs/dbraw/zinc/47/39/46/598473946.db2.gz HKLHPEHYLAJLTP-UHFFFAOYSA-N -1 3 391.435 3.022 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000735488231 598473947 /nfs/dbraw/zinc/47/39/47/598473947.db2.gz HKLHPEHYLAJLTP-UHFFFAOYSA-N -1 3 391.435 3.022 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737929844 598474391 /nfs/dbraw/zinc/47/43/91/598474391.db2.gz JFSHAZUUVFEKKC-UHFFFAOYSA-N -1 3 398.854 3.138 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737929844 598474393 /nfs/dbraw/zinc/47/43/93/598474393.db2.gz JFSHAZUUVFEKKC-UHFFFAOYSA-N -1 3 398.854 3.138 20 0 GGADHM COc1ccc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000737119462 598476961 /nfs/dbraw/zinc/47/69/61/598476961.db2.gz AVRXLVCUZVRMJJ-LBPRGKRZSA-N -1 3 389.419 3.306 20 0 GGADHM COc1ccc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000737119462 598476963 /nfs/dbraw/zinc/47/69/63/598476963.db2.gz AVRXLVCUZVRMJJ-LBPRGKRZSA-N -1 3 389.419 3.306 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736065201 598477418 /nfs/dbraw/zinc/47/74/18/598477418.db2.gz ARRGGOBDKVXWGP-CYBMUJFWSA-N -1 3 382.493 3.233 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736065201 598477419 /nfs/dbraw/zinc/47/74/19/598477419.db2.gz ARRGGOBDKVXWGP-CYBMUJFWSA-N -1 3 382.493 3.233 20 0 GGADHM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738212025 598480222 /nfs/dbraw/zinc/48/02/22/598480222.db2.gz BJRIWHGGRULRTM-LJQANCHMSA-N -1 3 385.383 3.043 20 0 GGADHM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738212025 598480224 /nfs/dbraw/zinc/48/02/24/598480224.db2.gz BJRIWHGGRULRTM-LJQANCHMSA-N -1 3 385.383 3.043 20 0 GGADHM O=C(N[C@H]1CCc2ccccc2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738037489 598480527 /nfs/dbraw/zinc/48/05/27/598480527.db2.gz WEXZKGMFJQQURP-IBGZPJMESA-N -1 3 388.475 3.098 20 0 GGADHM O=C(N[C@H]1CCc2ccccc2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738037489 598480529 /nfs/dbraw/zinc/48/05/29/598480529.db2.gz WEXZKGMFJQQURP-IBGZPJMESA-N -1 3 388.475 3.098 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738036778 598480572 /nfs/dbraw/zinc/48/05/72/598480572.db2.gz UEGARXKMPVEIEP-LJQANCHMSA-N -1 3 392.438 3.367 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738036778 598480574 /nfs/dbraw/zinc/48/05/74/598480574.db2.gz UEGARXKMPVEIEP-LJQANCHMSA-N -1 3 392.438 3.367 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738020313 598480578 /nfs/dbraw/zinc/48/05/78/598480578.db2.gz NEMHYCKOERJZPW-RTBURBONSA-N -1 3 392.438 3.236 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738020313 598480580 /nfs/dbraw/zinc/48/05/80/598480580.db2.gz NEMHYCKOERJZPW-RTBURBONSA-N -1 3 392.438 3.236 20 0 GGADHM O=C(NCCc1cc(F)cc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738089465 598480834 /nfs/dbraw/zinc/48/08/34/598480834.db2.gz WJEBDZOJAUHEKY-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM O=C(NCCc1cc(F)cc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738089465 598480836 /nfs/dbraw/zinc/48/08/36/598480836.db2.gz WJEBDZOJAUHEKY-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736153418 598484164 /nfs/dbraw/zinc/48/41/64/598484164.db2.gz YQXKROWXVPUVTD-NSHDSACASA-N -1 3 386.358 3.412 20 0 GGADHM C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736153418 598484166 /nfs/dbraw/zinc/48/41/66/598484166.db2.gz YQXKROWXVPUVTD-NSHDSACASA-N -1 3 386.358 3.412 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000737061841 598484511 /nfs/dbraw/zinc/48/45/11/598484511.db2.gz DZOADJHBDHSHMG-UHFFFAOYSA-N -1 3 391.435 3.111 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000737061841 598484512 /nfs/dbraw/zinc/48/45/12/598484512.db2.gz DZOADJHBDHSHMG-UHFFFAOYSA-N -1 3 391.435 3.111 20 0 GGADHM C[C@H](OC(=O)c1cn(-c2ccccc2Cl)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162195 598484604 /nfs/dbraw/zinc/48/46/04/598484604.db2.gz HYUUUDMDQNXTAY-NSHDSACASA-N -1 3 395.810 3.019 20 0 GGADHM C[C@H](OC(=O)c1cn(-c2ccccc2Cl)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162195 598484605 /nfs/dbraw/zinc/48/46/05/598484605.db2.gz HYUUUDMDQNXTAY-NSHDSACASA-N -1 3 395.810 3.019 20 0 GGADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(Br)c1 ZINC000736380357 598484911 /nfs/dbraw/zinc/48/49/11/598484911.db2.gz FKXOYTFMXQXDTC-CQSZACIVSA-N -1 3 388.225 3.332 20 0 GGADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(Br)c1 ZINC000736380357 598484913 /nfs/dbraw/zinc/48/49/13/598484913.db2.gz FKXOYTFMXQXDTC-CQSZACIVSA-N -1 3 388.225 3.332 20 0 GGADHM COc1cccc(CO[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737133048 598485434 /nfs/dbraw/zinc/48/54/34/598485434.db2.gz WLIGNIBRPCZQPP-KGLIPLIRSA-N -1 3 382.420 3.085 20 0 GGADHM COc1cccc(CO[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737133048 598485436 /nfs/dbraw/zinc/48/54/36/598485436.db2.gz WLIGNIBRPCZQPP-KGLIPLIRSA-N -1 3 382.420 3.085 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162989 598486283 /nfs/dbraw/zinc/48/62/83/598486283.db2.gz KTHJFITWMCBFCR-FHSNZYRGSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162989 598486284 /nfs/dbraw/zinc/48/62/84/598486284.db2.gz KTHJFITWMCBFCR-FHSNZYRGSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162997 598486745 /nfs/dbraw/zinc/48/67/45/598486745.db2.gz KTHJFITWMCBFCR-ZJNRKIDTSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162997 598486747 /nfs/dbraw/zinc/48/67/47/598486747.db2.gz KTHJFITWMCBFCR-ZJNRKIDTSA-N -1 3 391.431 3.379 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1Br ZINC000735660499 598487531 /nfs/dbraw/zinc/48/75/31/598487531.db2.gz BJCMZTJDDLAMPQ-UHFFFAOYSA-N -1 3 389.257 3.438 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1Br ZINC000735660499 598487533 /nfs/dbraw/zinc/48/75/33/598487533.db2.gz BJCMZTJDDLAMPQ-UHFFFAOYSA-N -1 3 389.257 3.438 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000735660701 598487707 /nfs/dbraw/zinc/48/77/07/598487707.db2.gz OAOHDDOAZNHNPU-UHFFFAOYSA-N -1 3 397.464 3.321 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000735660701 598487709 /nfs/dbraw/zinc/48/77/09/598487709.db2.gz OAOHDDOAZNHNPU-UHFFFAOYSA-N -1 3 397.464 3.321 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156733 598487874 /nfs/dbraw/zinc/48/78/74/598487874.db2.gz DTKORILSXDQQNX-VBHSOAQHSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156733 598487876 /nfs/dbraw/zinc/48/78/76/598487876.db2.gz DTKORILSXDQQNX-VBHSOAQHSA-N -1 3 391.431 3.379 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736772141 598488358 /nfs/dbraw/zinc/48/83/58/598488358.db2.gz BFMGRIYCAYQWMK-SJORKVTESA-N -1 3 393.495 3.231 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736772141 598488359 /nfs/dbraw/zinc/48/83/59/598488359.db2.gz BFMGRIYCAYQWMK-SJORKVTESA-N -1 3 393.495 3.231 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000735661004 598489422 /nfs/dbraw/zinc/48/94/22/598489422.db2.gz GWJZMIAGRUUUCU-UHFFFAOYSA-N -1 3 394.414 3.000 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000735661004 598489424 /nfs/dbraw/zinc/48/94/24/598489424.db2.gz GWJZMIAGRUUUCU-UHFFFAOYSA-N -1 3 394.414 3.000 20 0 GGADHM CSc1nc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c2ccccn21 ZINC000737190235 598489951 /nfs/dbraw/zinc/48/99/51/598489951.db2.gz WPWRVTPWHDDQIF-UHFFFAOYSA-N -1 3 396.480 3.045 20 0 GGADHM CSc1nc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c2ccccn21 ZINC000737190235 598489952 /nfs/dbraw/zinc/48/99/52/598489952.db2.gz WPWRVTPWHDDQIF-UHFFFAOYSA-N -1 3 396.480 3.045 20 0 GGADHM CCOc1c(C)cc(COC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C ZINC000736627060 598492300 /nfs/dbraw/zinc/49/23/00/598492300.db2.gz IVRWKTUKJAHUAY-OAHLLOKOSA-N -1 3 396.447 3.393 20 0 GGADHM CCOc1c(C)cc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C ZINC000736627060 598492301 /nfs/dbraw/zinc/49/23/01/598492301.db2.gz IVRWKTUKJAHUAY-OAHLLOKOSA-N -1 3 396.447 3.393 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cccc(-c2nnn[n-]2)c1 ZINC000736303798 598492577 /nfs/dbraw/zinc/49/25/77/598492577.db2.gz SSTYKMXIEAMVOO-WDEREUQCSA-N -1 3 395.444 3.217 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cccc(-c2nn[n-]n2)c1 ZINC000736303798 598492579 /nfs/dbraw/zinc/49/25/79/598492579.db2.gz SSTYKMXIEAMVOO-WDEREUQCSA-N -1 3 395.444 3.217 20 0 GGADHM Fc1cccc(Cc2nnc(SCCOc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737659307 598495280 /nfs/dbraw/zinc/49/52/80/598495280.db2.gz CKOLDEZQIGITMO-UHFFFAOYSA-N -1 3 398.423 3.151 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)NCC1CCC(c2ccccc2)CC1 ZINC000737925144 598495469 /nfs/dbraw/zinc/49/54/69/598495469.db2.gz OHGLSFKLOADXPW-UHFFFAOYSA-N -1 3 391.475 3.336 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)NCC1CCC(c2ccccc2)CC1 ZINC000737925144 598495470 /nfs/dbraw/zinc/49/54/70/598495470.db2.gz OHGLSFKLOADXPW-UHFFFAOYSA-N -1 3 391.475 3.336 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCCc1ccccc1 ZINC000736171263 598495866 /nfs/dbraw/zinc/49/58/66/598495866.db2.gz UZJAYMSEOBCYMC-MRXNPFEDSA-N -1 3 379.464 3.163 20 0 GGADHM CCN(C(=S)NCCc1cccs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508840 598497081 /nfs/dbraw/zinc/49/70/81/598497081.db2.gz OQMCFKNWJDSOCP-ZDUSSCGKSA-N -1 3 386.550 3.428 20 0 GGADHM CCN(C(=S)NCCc1cccs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508840 598497083 /nfs/dbraw/zinc/49/70/83/598497083.db2.gz OQMCFKNWJDSOCP-ZDUSSCGKSA-N -1 3 386.550 3.428 20 0 GGADHM CN(c1ccc2ccccc2c1)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821618945 607356739 /nfs/dbraw/zinc/35/67/39/607356739.db2.gz CBYYUYWBVNZVLX-QGZVFWFLSA-N -1 3 390.472 3.323 20 0 GGADHM CN(c1ccc2ccccc2c1)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821618945 607356741 /nfs/dbraw/zinc/35/67/41/607356741.db2.gz CBYYUYWBVNZVLX-QGZVFWFLSA-N -1 3 390.472 3.323 20 0 GGADHM Fc1ccccc1Cc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737668274 598497403 /nfs/dbraw/zinc/49/74/03/598497403.db2.gz FQXXJTCOVJDFAU-UHFFFAOYSA-N -1 3 398.423 3.151 20 0 GGADHM Fc1ccccc1Cc1nnc(SCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000737651171 598497629 /nfs/dbraw/zinc/49/76/29/598497629.db2.gz QLMFKSIECMXRSN-UHFFFAOYSA-N -1 3 386.387 3.411 20 0 GGADHM Fc1ccccc1Cc1nnc(SCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000737651171 598497631 /nfs/dbraw/zinc/49/76/31/598497631.db2.gz QLMFKSIECMXRSN-UHFFFAOYSA-N -1 3 386.387 3.411 20 0 GGADHM Fc1ccccc1Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000737639739 598497772 /nfs/dbraw/zinc/49/77/72/598497772.db2.gz FOYXNAISWNLUMX-UHFFFAOYSA-N -1 3 386.387 3.411 20 0 GGADHM Fc1ccccc1Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000737639739 598497773 /nfs/dbraw/zinc/49/77/73/598497773.db2.gz FOYXNAISWNLUMX-UHFFFAOYSA-N -1 3 386.387 3.411 20 0 GGADHM C[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111765 598497834 /nfs/dbraw/zinc/49/78/34/598497834.db2.gz OKBXOVNPZRQVED-NSHDSACASA-N -1 3 380.839 3.421 20 0 GGADHM C[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111765 598497836 /nfs/dbraw/zinc/49/78/36/598497836.db2.gz OKBXOVNPZRQVED-NSHDSACASA-N -1 3 380.839 3.421 20 0 GGADHM Cc1cccc(CN(CC(C)C)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737392977 598506955 /nfs/dbraw/zinc/50/69/55/598506955.db2.gz DBLNQWVYXIKWDO-UHFFFAOYSA-N -1 3 399.520 3.163 20 0 GGADHM Cc1cccc(CN(CC(C)C)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737392977 598506957 /nfs/dbraw/zinc/50/69/57/598506957.db2.gz DBLNQWVYXIKWDO-UHFFFAOYSA-N -1 3 399.520 3.163 20 0 GGADHM O=C(C1=COCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737785110 598507048 /nfs/dbraw/zinc/50/70/48/598507048.db2.gz XTJMSYKYPWTXCZ-UHFFFAOYSA-N -1 3 393.422 3.229 20 0 GGADHM O=C(C1=COCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737785110 598507049 /nfs/dbraw/zinc/50/70/49/598507049.db2.gz XTJMSYKYPWTXCZ-UHFFFAOYSA-N -1 3 393.422 3.229 20 0 GGADHM Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737323113 598507368 /nfs/dbraw/zinc/50/73/68/598507368.db2.gz OWCTWWRBCNEVAU-HNNXBMFYSA-N -1 3 385.493 3.006 20 0 GGADHM Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737323113 598507369 /nfs/dbraw/zinc/50/73/69/598507369.db2.gz OWCTWWRBCNEVAU-HNNXBMFYSA-N -1 3 385.493 3.006 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000738328890 598509254 /nfs/dbraw/zinc/50/92/54/598509254.db2.gz HDVIGSADKCAQEJ-GOSISDBHSA-N -1 3 389.525 3.131 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000738328890 598509256 /nfs/dbraw/zinc/50/92/56/598509256.db2.gz HDVIGSADKCAQEJ-GOSISDBHSA-N -1 3 389.525 3.131 20 0 GGADHM COc1ccc(COCCSCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737098731 598512134 /nfs/dbraw/zinc/51/21/34/598512134.db2.gz YUAPWGFCGPVKGY-UHFFFAOYSA-N -1 3 386.477 3.204 20 0 GGADHM COc1ccc(COCCSCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737098731 598512136 /nfs/dbraw/zinc/51/21/36/598512136.db2.gz YUAPWGFCGPVKGY-UHFFFAOYSA-N -1 3 386.477 3.204 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1sc(C)nc1C ZINC000736481563 598512897 /nfs/dbraw/zinc/51/28/97/598512897.db2.gz QYWNNKYVEMPEHM-UHFFFAOYSA-N -1 3 399.524 3.104 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1sc(C)nc1C ZINC000736481563 598512899 /nfs/dbraw/zinc/51/28/99/598512899.db2.gz QYWNNKYVEMPEHM-UHFFFAOYSA-N -1 3 399.524 3.104 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1csc(-c2ccoc2)n1 ZINC000737803193 598513508 /nfs/dbraw/zinc/51/35/08/598513508.db2.gz RVGONPAGQVOKDC-WAYWQWQTSA-N -1 3 379.401 3.340 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1csc(-c2ccoc2)n1 ZINC000737803193 598513509 /nfs/dbraw/zinc/51/35/09/598513509.db2.gz RVGONPAGQVOKDC-WAYWQWQTSA-N -1 3 379.401 3.340 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(OCCOC)c2)c1-c1nnn[n-]1 ZINC000736676278 598513946 /nfs/dbraw/zinc/51/39/46/598513946.db2.gz QHVFUKCZTHYPQG-UHFFFAOYSA-N -1 3 387.465 3.077 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(OCCOC)c2)c1-c1nn[n-]n1 ZINC000736676278 598513948 /nfs/dbraw/zinc/51/39/48/598513948.db2.gz QHVFUKCZTHYPQG-UHFFFAOYSA-N -1 3 387.465 3.077 20 0 GGADHM CCc1c(C)sc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000736669242 598514205 /nfs/dbraw/zinc/51/42/05/598514205.db2.gz AONCJHMWQXRQCT-UHFFFAOYSA-N -1 3 375.841 3.274 20 0 GGADHM CCc1c(C)sc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000736669242 598514206 /nfs/dbraw/zinc/51/42/06/598514206.db2.gz AONCJHMWQXRQCT-UHFFFAOYSA-N -1 3 375.841 3.274 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000736675244 598515558 /nfs/dbraw/zinc/51/55/58/598515558.db2.gz IIPCNCMMDKTHQT-UHFFFAOYSA-N -1 3 379.449 3.237 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000736675244 598515559 /nfs/dbraw/zinc/51/55/59/598515559.db2.gz IIPCNCMMDKTHQT-UHFFFAOYSA-N -1 3 379.449 3.237 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cc3c(c(OC)c2)O[C@@H](C)C3)c1-c1nnn[n-]1 ZINC000736674601 598516757 /nfs/dbraw/zinc/51/67/57/598516757.db2.gz DUTOUNFIWDHGFA-VIFPVBQESA-N -1 3 399.476 3.383 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cc3c(c(OC)c2)O[C@@H](C)C3)c1-c1nn[n-]n1 ZINC000736674601 598516758 /nfs/dbraw/zinc/51/67/58/598516758.db2.gz DUTOUNFIWDHGFA-VIFPVBQESA-N -1 3 399.476 3.383 20 0 GGADHM CC[C@H](Cc1ccccc1)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736352108 598517912 /nfs/dbraw/zinc/51/79/12/598517912.db2.gz SDJLQAZQVZRJQT-GOSISDBHSA-N -1 3 381.505 3.237 20 0 GGADHM CC[C@H](Cc1ccccc1)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736352108 598517913 /nfs/dbraw/zinc/51/79/13/598517913.db2.gz SDJLQAZQVZRJQT-GOSISDBHSA-N -1 3 381.505 3.237 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2cccc(C(C)=O)c2)c1-c1nnn[n-]1 ZINC000736675804 598518532 /nfs/dbraw/zinc/51/85/32/598518532.db2.gz OBRKENGUYJLBMI-UHFFFAOYSA-N -1 3 385.449 3.019 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2cccc(C(C)=O)c2)c1-c1nn[n-]n1 ZINC000736675804 598518533 /nfs/dbraw/zinc/51/85/33/598518533.db2.gz OBRKENGUYJLBMI-UHFFFAOYSA-N -1 3 385.449 3.019 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737149147 598520229 /nfs/dbraw/zinc/52/02/29/598520229.db2.gz WXJLHDHJCJAZLR-RHSMWYFYSA-N -1 3 393.447 3.006 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737149147 598520231 /nfs/dbraw/zinc/52/02/31/598520231.db2.gz WXJLHDHJCJAZLR-RHSMWYFYSA-N -1 3 393.447 3.006 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737146165 598520288 /nfs/dbraw/zinc/52/02/88/598520288.db2.gz GXOXCHQUYZZQQG-QFQMRYFISA-N -1 3 375.432 3.252 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737146165 598520290 /nfs/dbraw/zinc/52/02/90/598520290.db2.gz GXOXCHQUYZZQQG-QFQMRYFISA-N -1 3 375.432 3.252 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCc2c1cccc2Br ZINC000738150168 598528067 /nfs/dbraw/zinc/52/80/67/598528067.db2.gz AKXZRBKASKFABG-HNNXBMFYSA-N -1 3 399.252 3.438 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2c1cccc2Br ZINC000738150168 598528069 /nfs/dbraw/zinc/52/80/69/598528069.db2.gz AKXZRBKASKFABG-HNNXBMFYSA-N -1 3 399.252 3.438 20 0 GGADHM COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737091104 598528849 /nfs/dbraw/zinc/52/88/49/598528849.db2.gz PLYNZRBQMYFJRM-UHFFFAOYSA-N -1 3 391.353 3.080 20 0 GGADHM COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737091104 598528850 /nfs/dbraw/zinc/52/88/50/598528850.db2.gz PLYNZRBQMYFJRM-UHFFFAOYSA-N -1 3 391.353 3.080 20 0 GGADHM CC[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736403517 598532365 /nfs/dbraw/zinc/53/23/65/598532365.db2.gz VTFSQXPHIGJQOM-OAHLLOKOSA-N -1 3 379.424 3.460 20 0 GGADHM CCOc1ccccc1CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736652853 598532819 /nfs/dbraw/zinc/53/28/19/598532819.db2.gz CULCIABUOXGKBP-UHFFFAOYSA-N -1 3 386.843 3.283 20 0 GGADHM CCOc1ccccc1CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736652853 598532821 /nfs/dbraw/zinc/53/28/21/598532821.db2.gz CULCIABUOXGKBP-UHFFFAOYSA-N -1 3 386.843 3.283 20 0 GGADHM CC[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736400960 598532925 /nfs/dbraw/zinc/53/29/25/598532925.db2.gz FQIQZSDKCIYTHS-HNNXBMFYSA-N -1 3 379.424 3.460 20 0 GGADHM CC[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736400960 598532927 /nfs/dbraw/zinc/53/29/27/598532927.db2.gz FQIQZSDKCIYTHS-HNNXBMFYSA-N -1 3 379.424 3.460 20 0 GGADHM COc1cccc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3OC)CCCC2)c1 ZINC000737129099 598533406 /nfs/dbraw/zinc/53/34/06/598533406.db2.gz QGIRWBVNCMTMBY-UHFFFAOYSA-N -1 3 394.431 3.301 20 0 GGADHM COc1cccc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3OC)CCCC2)c1 ZINC000737129099 598533408 /nfs/dbraw/zinc/53/34/08/598533408.db2.gz QGIRWBVNCMTMBY-UHFFFAOYSA-N -1 3 394.431 3.301 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737954668 598533971 /nfs/dbraw/zinc/53/39/71/598533971.db2.gz ONTYLNBZNIOGLZ-UHFFFAOYSA-N -1 3 385.786 3.426 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737954668 598533973 /nfs/dbraw/zinc/53/39/73/598533973.db2.gz ONTYLNBZNIOGLZ-UHFFFAOYSA-N -1 3 385.786 3.426 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(Cc1cscn1)c1ccccc1 ZINC000737854394 598535695 /nfs/dbraw/zinc/53/56/95/598535695.db2.gz ZPZBMQUZWDVICJ-UHFFFAOYSA-N -1 3 390.472 3.489 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(Cc1cscn1)c1ccccc1 ZINC000737854394 598535696 /nfs/dbraw/zinc/53/56/96/598535696.db2.gz ZPZBMQUZWDVICJ-UHFFFAOYSA-N -1 3 390.472 3.489 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737283168 598536437 /nfs/dbraw/zinc/53/64/37/598536437.db2.gz BRKDOYLDXVHGPM-UHFFFAOYSA-N -1 3 378.461 3.319 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737283168 598536439 /nfs/dbraw/zinc/53/64/39/598536439.db2.gz BRKDOYLDXVHGPM-UHFFFAOYSA-N -1 3 378.461 3.319 20 0 GGADHM CC[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736398506 598537346 /nfs/dbraw/zinc/53/73/46/598537346.db2.gz AYEFFGOHEXPCDH-HNNXBMFYSA-N -1 3 381.436 3.443 20 0 GGADHM O=C(Oc1ccccc1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738248143 598538671 /nfs/dbraw/zinc/53/86/71/598538671.db2.gz WCHMSYIPHIYDFZ-UHFFFAOYSA-N -1 3 380.335 3.397 20 0 GGADHM CN(Cc1ccsc1)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736829974 598539575 /nfs/dbraw/zinc/53/95/75/598539575.db2.gz NQVYMTHANTWBKL-UHFFFAOYSA-N -1 3 395.444 3.372 20 0 GGADHM CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736488499 598541783 /nfs/dbraw/zinc/54/17/83/598541783.db2.gz NRFLZGZEFJROFG-UHFFFAOYSA-N -1 3 381.436 3.119 20 0 GGADHM CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736488499 598541786 /nfs/dbraw/zinc/54/17/86/598541786.db2.gz NRFLZGZEFJROFG-UHFFFAOYSA-N -1 3 381.436 3.119 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737335773 598542077 /nfs/dbraw/zinc/54/20/77/598542077.db2.gz WXEJQJNGQQZLKH-INIZCTEOSA-N -1 3 378.480 3.256 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737335773 598542079 /nfs/dbraw/zinc/54/20/79/598542079.db2.gz WXEJQJNGQQZLKH-INIZCTEOSA-N -1 3 378.480 3.256 20 0 GGADHM CO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736958554 598542162 /nfs/dbraw/zinc/54/21/62/598542162.db2.gz UYPWTIJSUGLDNS-LLVKDONJSA-N -1 3 387.827 3.073 20 0 GGADHM CO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736958554 598542165 /nfs/dbraw/zinc/54/21/65/598542165.db2.gz UYPWTIJSUGLDNS-LLVKDONJSA-N -1 3 387.827 3.073 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735963786 598542530 /nfs/dbraw/zinc/54/25/30/598542530.db2.gz MLENKMOROUXFPN-OAHLLOKOSA-N -1 3 376.464 3.377 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735963786 598542531 /nfs/dbraw/zinc/54/25/31/598542531.db2.gz MLENKMOROUXFPN-OAHLLOKOSA-N -1 3 376.464 3.377 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)[C@H]1CCOC1 ZINC000738173405 598542830 /nfs/dbraw/zinc/54/28/30/598542830.db2.gz QBYOFEVDODYSBZ-AWEZNQCLSA-N -1 3 399.838 3.074 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)[C@H]1CCOC1 ZINC000738173405 598542832 /nfs/dbraw/zinc/54/28/32/598542832.db2.gz QBYOFEVDODYSBZ-AWEZNQCLSA-N -1 3 399.838 3.074 20 0 GGADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735838024 598542995 /nfs/dbraw/zinc/54/29/95/598542995.db2.gz AYKCKZJRUNZQJO-OAHLLOKOSA-N -1 3 395.463 3.445 20 0 GGADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735838024 598542996 /nfs/dbraw/zinc/54/29/96/598542996.db2.gz AYKCKZJRUNZQJO-OAHLLOKOSA-N -1 3 395.463 3.445 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccnc(F)c1 ZINC000738174294 598543079 /nfs/dbraw/zinc/54/30/79/598543079.db2.gz WSCJDLHPEHVZOG-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccnc(F)c1 ZINC000738174294 598543081 /nfs/dbraw/zinc/54/30/81/598543081.db2.gz WSCJDLHPEHVZOG-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1C(F)(F)F ZINC000737932628 598543900 /nfs/dbraw/zinc/54/39/00/598543900.db2.gz ZYUJDLIFSASKFW-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1C(F)(F)F ZINC000737932628 598543902 /nfs/dbraw/zinc/54/39/02/598543902.db2.gz ZYUJDLIFSASKFW-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000737315766 598544076 /nfs/dbraw/zinc/54/40/76/598544076.db2.gz QENFXOXWAGLGPW-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000737315766 598544078 /nfs/dbraw/zinc/54/40/78/598544078.db2.gz QENFXOXWAGLGPW-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1Cc2ccccc2S1 ZINC000738147539 598546495 /nfs/dbraw/zinc/54/64/95/598546495.db2.gz YXNHEJYLEVIPOV-CQSZACIVSA-N -1 3 389.387 3.124 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1Cc2ccccc2S1 ZINC000738147539 598546497 /nfs/dbraw/zinc/54/64/97/598546497.db2.gz YXNHEJYLEVIPOV-CQSZACIVSA-N -1 3 389.387 3.124 20 0 GGADHM O=C(CSc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737946593 598547136 /nfs/dbraw/zinc/54/71/36/598547136.db2.gz IXMVJHKTNOONTQ-UHFFFAOYSA-N -1 3 395.366 3.338 20 0 GGADHM O=C(CSc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737946593 598547138 /nfs/dbraw/zinc/54/71/38/598547138.db2.gz IXMVJHKTNOONTQ-UHFFFAOYSA-N -1 3 395.366 3.338 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2c(s1)CCC2 ZINC000738147534 598547519 /nfs/dbraw/zinc/54/75/19/598547519.db2.gz YQQDMFIXIFPOTJ-UHFFFAOYSA-N -1 3 377.376 3.271 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2c(s1)CCC2 ZINC000738147534 598547520 /nfs/dbraw/zinc/54/75/20/598547520.db2.gz YQQDMFIXIFPOTJ-UHFFFAOYSA-N -1 3 377.376 3.271 20 0 GGADHM C[C@H]1CCN(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc2S1 ZINC000736277217 598548563 /nfs/dbraw/zinc/54/85/63/598548563.db2.gz KZZPTTVPGDSFFD-LBPRGKRZSA-N -1 3 399.451 3.302 20 0 GGADHM C[C@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc2S1 ZINC000736277217 598548565 /nfs/dbraw/zinc/54/85/65/598548565.db2.gz KZZPTTVPGDSFFD-LBPRGKRZSA-N -1 3 399.451 3.302 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)o1 ZINC000737342230 598548694 /nfs/dbraw/zinc/54/86/94/598548694.db2.gz RHMWIILCLJXYNZ-UHFFFAOYSA-N -1 3 393.403 3.212 20 0 GGADHM CCC[C@@H]1CCc2c(sc(=O)n2CN(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736436682 598550867 /nfs/dbraw/zinc/55/08/67/598550867.db2.gz SJBNWRCHMIXKGU-CQSZACIVSA-N -1 3 398.536 3.084 20 0 GGADHM CCC[C@@H]1CCc2c(sc(=O)n2CN(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736436682 598550869 /nfs/dbraw/zinc/55/08/69/598550869.db2.gz SJBNWRCHMIXKGU-CQSZACIVSA-N -1 3 398.536 3.084 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)N(Cc1ccco1)c1ccccc1 ZINC000737916575 598551173 /nfs/dbraw/zinc/55/11/73/598551173.db2.gz OJULIOWUBNGVBS-UHFFFAOYSA-N -1 3 393.378 3.211 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)N(Cc1ccco1)c1ccccc1 ZINC000737916575 598551175 /nfs/dbraw/zinc/55/11/75/598551175.db2.gz OJULIOWUBNGVBS-UHFFFAOYSA-N -1 3 393.378 3.211 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)ccc1O ZINC000826270765 607360328 /nfs/dbraw/zinc/36/03/28/607360328.db2.gz OEYIAQPMTBZFCP-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)ccc1O ZINC000826270765 607360330 /nfs/dbraw/zinc/36/03/30/607360330.db2.gz OEYIAQPMTBZFCP-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1noc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(Cl)c2)n1 ZINC000737547358 598553208 /nfs/dbraw/zinc/55/32/08/598553208.db2.gz UBOKMKHZIRRYMS-UHFFFAOYSA-N -1 3 397.826 3.403 20 0 GGADHM Cc1noc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(Cl)c2)n1 ZINC000737547358 598553210 /nfs/dbraw/zinc/55/32/10/598553210.db2.gz UBOKMKHZIRRYMS-UHFFFAOYSA-N -1 3 397.826 3.403 20 0 GGADHM COc1ncccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737163639 598554663 /nfs/dbraw/zinc/55/46/63/598554663.db2.gz KYDVIBVWUCFKRI-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM COc1ncccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737163639 598554666 /nfs/dbraw/zinc/55/46/66/598554666.db2.gz KYDVIBVWUCFKRI-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM CCc1nnsc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736710596 598554721 /nfs/dbraw/zinc/55/47/21/598554721.db2.gz JPKOLHHSEVZTGQ-UHFFFAOYSA-N -1 3 393.432 3.325 20 0 GGADHM CCc1nnsc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736710596 598554723 /nfs/dbraw/zinc/55/47/23/598554723.db2.gz JPKOLHHSEVZTGQ-UHFFFAOYSA-N -1 3 393.432 3.325 20 0 GGADHM O=C(COc1cccnc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737928136 598556255 /nfs/dbraw/zinc/55/62/55/598556255.db2.gz FMZUWYZIJKLLNL-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(COc1cccnc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737928136 598556256 /nfs/dbraw/zinc/55/62/56/598556256.db2.gz FMZUWYZIJKLLNL-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM Cn1cnc2c1ncnc2Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737619561 598557038 /nfs/dbraw/zinc/55/70/38/598557038.db2.gz VHWVKSNNUKXCFJ-UHFFFAOYSA-N -1 3 385.391 3.079 20 0 GGADHM Cn1cnc2c1ncnc2Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737619561 598557039 /nfs/dbraw/zinc/55/70/39/598557039.db2.gz VHWVKSNNUKXCFJ-UHFFFAOYSA-N -1 3 385.391 3.079 20 0 GGADHM CC(C)(C)n1cc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cn1 ZINC000735660978 598557949 /nfs/dbraw/zinc/55/79/49/598557949.db2.gz GNCNGPBGNILDRY-UHFFFAOYSA-N -1 3 392.370 3.064 20 0 GGADHM CC(C)(C)n1cc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000735660978 598557950 /nfs/dbraw/zinc/55/79/50/598557950.db2.gz GNCNGPBGNILDRY-UHFFFAOYSA-N -1 3 392.370 3.064 20 0 GGADHM CC(C)CNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735835760 598559356 /nfs/dbraw/zinc/55/93/56/598559356.db2.gz MXHAALOJXKDUTK-AWEZNQCLSA-N -1 3 380.452 3.232 20 0 GGADHM CC(C)CNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735835760 598559358 /nfs/dbraw/zinc/55/93/58/598559358.db2.gz MXHAALOJXKDUTK-AWEZNQCLSA-N -1 3 380.452 3.232 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000737279632 598559359 /nfs/dbraw/zinc/55/93/59/598559359.db2.gz KRZJTDPQWABPPQ-UGSOOPFHSA-N -1 3 378.436 3.284 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000737279632 598559361 /nfs/dbraw/zinc/55/93/61/598559361.db2.gz KRZJTDPQWABPPQ-UGSOOPFHSA-N -1 3 378.436 3.284 20 0 GGADHM O=C(NCc1ccc(Cl)o1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738104355 598560955 /nfs/dbraw/zinc/56/09/55/598560955.db2.gz WOYHEVIWUARZRE-UHFFFAOYSA-N -1 3 384.730 3.036 20 0 GGADHM O=C(NCc1ccc(Cl)o1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738104355 598560957 /nfs/dbraw/zinc/56/09/57/598560957.db2.gz WOYHEVIWUARZRE-UHFFFAOYSA-N -1 3 384.730 3.036 20 0 GGADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737337782 598560996 /nfs/dbraw/zinc/56/09/96/598560996.db2.gz RENPGTIMQWHPFD-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737337782 598560998 /nfs/dbraw/zinc/56/09/98/598560998.db2.gz RENPGTIMQWHPFD-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM CCN(Cc1ccoc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736555321 598562191 /nfs/dbraw/zinc/56/21/91/598562191.db2.gz GAXDPWMILODMLP-UHFFFAOYSA-N -1 3 378.339 3.115 20 0 GGADHM CCN(Cc1ccoc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736555321 598562193 /nfs/dbraw/zinc/56/21/93/598562193.db2.gz GAXDPWMILODMLP-UHFFFAOYSA-N -1 3 378.339 3.115 20 0 GGADHM Cc1cccc(CCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737391611 598562884 /nfs/dbraw/zinc/56/28/84/598562884.db2.gz GMQURFFTFASPGK-UHFFFAOYSA-N -1 3 388.378 3.141 20 0 GGADHM Cc1cccc(CCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737391611 598562885 /nfs/dbraw/zinc/56/28/85/598562885.db2.gz GMQURFFTFASPGK-UHFFFAOYSA-N -1 3 388.378 3.141 20 0 GGADHM CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736506464 598563373 /nfs/dbraw/zinc/56/33/73/598563373.db2.gz ZGFHQVNOYJNBOP-CYBMUJFWSA-N -1 3 398.442 3.499 20 0 GGADHM CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736506464 598563375 /nfs/dbraw/zinc/56/33/75/598563375.db2.gz ZGFHQVNOYJNBOP-CYBMUJFWSA-N -1 3 398.442 3.499 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCCO1 ZINC000736281517 598564946 /nfs/dbraw/zinc/56/49/46/598564946.db2.gz SYNGBZNPZMXHOM-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCCO1 ZINC000736281517 598564948 /nfs/dbraw/zinc/56/49/48/598564948.db2.gz SYNGBZNPZMXHOM-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(NCC1CCOCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738053488 598565600 /nfs/dbraw/zinc/56/56/00/598565600.db2.gz XPLFNXCBEZTOMS-UHFFFAOYSA-N -1 3 394.435 3.207 20 0 GGADHM O=C(NCC1CCOCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738053488 598565601 /nfs/dbraw/zinc/56/56/01/598565601.db2.gz XPLFNXCBEZTOMS-UHFFFAOYSA-N -1 3 394.435 3.207 20 0 GGADHM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738103035 598566336 /nfs/dbraw/zinc/56/63/36/598566336.db2.gz YPUWTWKSLGLRSJ-UHFFFAOYSA-N -1 3 395.426 3.340 20 0 GGADHM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738103035 598566338 /nfs/dbraw/zinc/56/63/38/598566338.db2.gz YPUWTWKSLGLRSJ-UHFFFAOYSA-N -1 3 395.426 3.340 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735656121 598568223 /nfs/dbraw/zinc/56/82/23/598568223.db2.gz VDMRLSHTYQFVHL-OLZOCXBDSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735656121 598568225 /nfs/dbraw/zinc/56/82/25/598568225.db2.gz VDMRLSHTYQFVHL-OLZOCXBDSA-N -1 3 386.406 3.444 20 0 GGADHM O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737783701 598568513 /nfs/dbraw/zinc/56/85/13/598568513.db2.gz JMYBGMXFFYJPHD-IRXDYDNUSA-N -1 3 395.413 3.440 20 0 GGADHM O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737783701 598568514 /nfs/dbraw/zinc/56/85/14/598568514.db2.gz JMYBGMXFFYJPHD-IRXDYDNUSA-N -1 3 395.413 3.440 20 0 GGADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc(Cl)ccc1O ZINC000737547143 598568619 /nfs/dbraw/zinc/56/86/19/598568619.db2.gz HGDAAQIJVXYZQO-UHFFFAOYSA-N -1 3 384.783 3.170 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736638001 598569774 /nfs/dbraw/zinc/56/97/74/598569774.db2.gz ZTCKONDYHZSWAS-CHWSQXEVSA-N -1 3 385.374 3.286 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736638001 598569775 /nfs/dbraw/zinc/56/97/75/598569775.db2.gz ZTCKONDYHZSWAS-CHWSQXEVSA-N -1 3 385.374 3.286 20 0 GGADHM Cc1cc(F)ccc1C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822205729 607358857 /nfs/dbraw/zinc/35/88/57/607358857.db2.gz GUNPXZCRMHEWRV-UHFFFAOYSA-N -1 3 393.378 3.098 20 0 GGADHM Cc1cc(F)ccc1C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822205729 607358859 /nfs/dbraw/zinc/35/88/59/607358859.db2.gz GUNPXZCRMHEWRV-UHFFFAOYSA-N -1 3 393.378 3.098 20 0 GGADHM CCCOc1ccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736493562 598574378 /nfs/dbraw/zinc/57/43/78/598574378.db2.gz XNXALCBXQVCXEY-IBGZPJMESA-N -1 3 393.447 3.230 20 0 GGADHM Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737422954 598576349 /nfs/dbraw/zinc/57/63/49/598576349.db2.gz PTEMKJRSWQSSLH-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000737628326 598576748 /nfs/dbraw/zinc/57/67/48/598576748.db2.gz UBRIYYPDDZSDAN-SNVBAGLBSA-N -1 3 395.307 3.433 20 0 GGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000737628326 598576749 /nfs/dbraw/zinc/57/67/49/598576749.db2.gz UBRIYYPDDZSDAN-SNVBAGLBSA-N -1 3 395.307 3.433 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737320498 598577134 /nfs/dbraw/zinc/57/71/34/598577134.db2.gz LPBAFVDEMULECL-OXQOHEQNSA-N -1 3 390.491 3.330 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737319540 598577447 /nfs/dbraw/zinc/57/74/47/598577447.db2.gz FFRLYTAAIXRIAS-BEFAXECRSA-N -1 3 376.464 3.021 20 0 GGADHM CCOc1cc(F)ccc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736626909 598578332 /nfs/dbraw/zinc/57/83/32/598578332.db2.gz UNXQCBBTUMNGRR-KRWDZBQOSA-N -1 3 396.426 3.012 20 0 GGADHM CO[C@H](C)c1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736961251 598579494 /nfs/dbraw/zinc/57/94/94/598579494.db2.gz KWEPBHNXPZLKEZ-AUUYWEPGSA-N -1 3 392.463 3.182 20 0 GGADHM O=C(CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCCCCC1 ZINC000737847713 598579746 /nfs/dbraw/zinc/57/97/46/598579746.db2.gz LAFUNEIMSNHYKA-UHFFFAOYSA-N -1 3 382.390 3.090 20 0 GGADHM O=C(CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCCCCC1 ZINC000737847713 598579747 /nfs/dbraw/zinc/57/97/47/598579747.db2.gz LAFUNEIMSNHYKA-UHFFFAOYSA-N -1 3 382.390 3.090 20 0 GGADHM CC(C)CN(C(=O)[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818245 598581698 /nfs/dbraw/zinc/58/16/98/598581698.db2.gz KQNCPUUPCWDIQI-SFHVURJKSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)CN(C(=O)[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818245 598581700 /nfs/dbraw/zinc/58/17/00/598581700.db2.gz KQNCPUUPCWDIQI-SFHVURJKSA-N -1 3 377.448 3.422 20 0 GGADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736610778 598582082 /nfs/dbraw/zinc/58/20/82/598582082.db2.gz LQDSCDSXXUAWND-UHFFFAOYSA-N -1 3 383.408 3.033 20 0 GGADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736610778 598582084 /nfs/dbraw/zinc/58/20/84/598582084.db2.gz LQDSCDSXXUAWND-UHFFFAOYSA-N -1 3 383.408 3.033 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1CCOc2ccccc21 ZINC000738212623 598582626 /nfs/dbraw/zinc/58/26/26/598582626.db2.gz XXDNYMPKSPDMJO-LBPRGKRZSA-N -1 3 381.461 3.312 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1CCOc2ccccc21 ZINC000738212623 598582628 /nfs/dbraw/zinc/58/26/28/598582628.db2.gz XXDNYMPKSPDMJO-LBPRGKRZSA-N -1 3 381.461 3.312 20 0 GGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736323383 598583482 /nfs/dbraw/zinc/58/34/82/598583482.db2.gz AHFIOSIHYDKSRG-LLVKDONJSA-N -1 3 394.414 3.282 20 0 GGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736323383 598583484 /nfs/dbraw/zinc/58/34/84/598583484.db2.gz AHFIOSIHYDKSRG-LLVKDONJSA-N -1 3 394.414 3.282 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ncc(-c2cccs2)o1 ZINC000737798853 598583654 /nfs/dbraw/zinc/58/36/54/598583654.db2.gz HJRAZYLNUTUTPK-BQYQJAHWSA-N -1 3 379.401 3.340 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ncc(-c2cccs2)o1 ZINC000737798853 598583655 /nfs/dbraw/zinc/58/36/55/598583655.db2.gz HJRAZYLNUTUTPK-BQYQJAHWSA-N -1 3 379.401 3.340 20 0 GGADHM O=C(Nc1sccc1C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000738210337 598584138 /nfs/dbraw/zinc/58/41/38/598584138.db2.gz PBFIJVPJBOLXBU-UHFFFAOYSA-N -1 3 395.400 3.131 20 0 GGADHM O=C(Nc1sccc1C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000738210337 598584140 /nfs/dbraw/zinc/58/41/40/598584140.db2.gz PBFIJVPJBOLXBU-UHFFFAOYSA-N -1 3 395.400 3.131 20 0 GGADHM O=C(Nc1cccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1)c1ccco1 ZINC000738165239 598585613 /nfs/dbraw/zinc/58/56/13/598585613.db2.gz AJPKVGJPAWJKKV-UHFFFAOYSA-N -1 3 392.350 3.103 20 0 GGADHM O=C(Nc1cccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1)c1ccco1 ZINC000738165239 598585615 /nfs/dbraw/zinc/58/56/15/598585615.db2.gz AJPKVGJPAWJKKV-UHFFFAOYSA-N -1 3 392.350 3.103 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737860074 598588055 /nfs/dbraw/zinc/58/80/55/598588055.db2.gz KWWJJJFZXNWRGG-UHFFFAOYSA-N -1 3 378.367 3.232 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737860074 598588057 /nfs/dbraw/zinc/58/80/57/598588057.db2.gz KWWJJJFZXNWRGG-UHFFFAOYSA-N -1 3 378.367 3.232 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000737921955 598588319 /nfs/dbraw/zinc/58/83/19/598588319.db2.gz ZUQLFZCVJOXMSJ-UHFFFAOYSA-N -1 3 387.802 3.017 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000738165285 598589765 /nfs/dbraw/zinc/58/97/65/598589765.db2.gz BIFRUYKJWCQFBQ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000738165285 598589767 /nfs/dbraw/zinc/58/97/67/598589767.db2.gz BIFRUYKJWCQFBQ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2)n1 ZINC000737256715 598590801 /nfs/dbraw/zinc/59/08/01/598590801.db2.gz PKJFHFVSLDEVFA-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2)n1 ZINC000737256715 598590803 /nfs/dbraw/zinc/59/08/03/598590803.db2.gz PKJFHFVSLDEVFA-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)nc2)n1 ZINC000736678745 598592287 /nfs/dbraw/zinc/59/22/87/598592287.db2.gz HKQJBCYLAYPLSH-LBPRGKRZSA-N -1 3 388.435 3.160 20 0 GGADHM O=C(C[C@H]1CCCO1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737824718 598592924 /nfs/dbraw/zinc/59/29/24/598592924.db2.gz ZLWWKQOLDRUWOL-MRXNPFEDSA-N -1 3 397.410 3.092 20 0 GGADHM O=C(C[C@H]1CCCO1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737824718 598592925 /nfs/dbraw/zinc/59/29/25/598592925.db2.gz ZLWWKQOLDRUWOL-MRXNPFEDSA-N -1 3 397.410 3.092 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000735661925 598596206 /nfs/dbraw/zinc/59/62/06/598596206.db2.gz YPLYBPMAUKQSSH-CQSZACIVSA-N -1 3 399.430 3.208 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000735661925 598596207 /nfs/dbraw/zinc/59/62/07/598596207.db2.gz YPLYBPMAUKQSSH-CQSZACIVSA-N -1 3 399.430 3.208 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccnc(OCc2ccccc2)c1 ZINC000738166211 598599641 /nfs/dbraw/zinc/59/96/41/598599641.db2.gz QZUNNVZZMJQBQR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccnc(OCc2ccccc2)c1 ZINC000738166211 598599643 /nfs/dbraw/zinc/59/96/43/598599643.db2.gz QZUNNVZZMJQBQR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(CCc1cccc(Br)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737857125 598599740 /nfs/dbraw/zinc/59/97/40/598599740.db2.gz MXYDRTRKSWASJS-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cccc(Br)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737857125 598599741 /nfs/dbraw/zinc/59/97/41/598599741.db2.gz MXYDRTRKSWASJS-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM C[C@@H]1CCN(C(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000736276939 598603352 /nfs/dbraw/zinc/60/33/52/598603352.db2.gz IXOOBNONCOCGIM-GFCCVEGCSA-N -1 3 398.467 3.335 20 0 GGADHM C[C@@H]1CCN(C(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000736276939 598603354 /nfs/dbraw/zinc/60/33/54/598603354.db2.gz IXOOBNONCOCGIM-GFCCVEGCSA-N -1 3 398.467 3.335 20 0 GGADHM Cc1ccc(CCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826287198 607362498 /nfs/dbraw/zinc/36/24/98/607362498.db2.gz GYCKOQYGSWQTJI-UHFFFAOYSA-N -1 3 384.823 3.187 20 0 GGADHM Cc1ccc(CCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826287198 607362500 /nfs/dbraw/zinc/36/25/00/607362500.db2.gz GYCKOQYGSWQTJI-UHFFFAOYSA-N -1 3 384.823 3.187 20 0 GGADHM CC1(C)CCCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736210367 598612790 /nfs/dbraw/zinc/61/27/90/598612790.db2.gz FLVJCHDAKJSMFD-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CC1(C)CCCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736210367 598612791 /nfs/dbraw/zinc/61/27/91/598612791.db2.gz FLVJCHDAKJSMFD-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cccn1 ZINC000738277209 598612823 /nfs/dbraw/zinc/61/28/23/598612823.db2.gz AFAHACBYFQHDEE-MRXNPFEDSA-N -1 3 399.458 3.035 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cccn1 ZINC000738277209 598612826 /nfs/dbraw/zinc/61/28/26/598612826.db2.gz AFAHACBYFQHDEE-MRXNPFEDSA-N -1 3 399.458 3.035 20 0 GGADHM O=C(OC/C=C/c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738220358 598620773 /nfs/dbraw/zinc/62/07/73/598620773.db2.gz GPCQWFBVUOLYID-MEQKGCOVSA-N -1 3 375.432 3.092 20 0 GGADHM CC(C)Oc1ccc(CCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735915557 598623664 /nfs/dbraw/zinc/62/36/64/598623664.db2.gz PLRRZDYNEVWTSA-UHFFFAOYSA-N -1 3 384.415 3.157 20 0 GGADHM CC(C)Oc1ccc(CCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735915557 598623665 /nfs/dbraw/zinc/62/36/65/598623665.db2.gz PLRRZDYNEVWTSA-UHFFFAOYSA-N -1 3 384.415 3.157 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000737292945 598623678 /nfs/dbraw/zinc/62/36/78/598623678.db2.gz XTIMGVASTNQDBL-MRXNPFEDSA-N -1 3 392.419 3.273 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000737292945 598623679 /nfs/dbraw/zinc/62/36/79/598623679.db2.gz XTIMGVASTNQDBL-MRXNPFEDSA-N -1 3 392.419 3.273 20 0 GGADHM O=C(COC(=O)C1(c2ccccc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826414804 607361134 /nfs/dbraw/zinc/36/11/34/607361134.db2.gz IQEATNYFDSZXQT-UHFFFAOYSA-N -1 3 376.416 3.105 20 0 GGADHM O=C(COC(=O)C1(c2ccccc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826414804 607361137 /nfs/dbraw/zinc/36/11/37/607361137.db2.gz IQEATNYFDSZXQT-UHFFFAOYSA-N -1 3 376.416 3.105 20 0 GGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820402735 607361156 /nfs/dbraw/zinc/36/11/56/607361156.db2.gz FRHGJFITGOQGNA-JVXZTZIISA-N -1 3 398.275 3.087 20 0 GGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820402735 607361157 /nfs/dbraw/zinc/36/11/57/607361157.db2.gz FRHGJFITGOQGNA-JVXZTZIISA-N -1 3 398.275 3.087 20 0 GGADHM O=C(NCCCSc1ccc(F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074414 598625121 /nfs/dbraw/zinc/62/51/21/598625121.db2.gz CAXSUPVFNXEBJB-UHFFFAOYSA-N -1 3 390.419 3.449 20 0 GGADHM O=C(NCCCSc1ccc(F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074414 598625122 /nfs/dbraw/zinc/62/51/22/598625122.db2.gz CAXSUPVFNXEBJB-UHFFFAOYSA-N -1 3 390.419 3.449 20 0 GGADHM CC(C)c1ocnc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735954224 598626455 /nfs/dbraw/zinc/62/64/55/598626455.db2.gz WAMWVMHUEQSRLQ-UHFFFAOYSA-N -1 3 394.357 3.183 20 0 GGADHM CC(C)c1ocnc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735954224 598626456 /nfs/dbraw/zinc/62/64/56/598626456.db2.gz WAMWVMHUEQSRLQ-UHFFFAOYSA-N -1 3 394.357 3.183 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000738166389 598627118 /nfs/dbraw/zinc/62/71/18/598627118.db2.gz IYJCLFFBXPFSAR-SJORKVTESA-N -1 3 382.399 3.048 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000738166389 598627120 /nfs/dbraw/zinc/62/71/20/598627120.db2.gz IYJCLFFBXPFSAR-SJORKVTESA-N -1 3 382.399 3.048 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737087418 598627491 /nfs/dbraw/zinc/62/74/91/598627491.db2.gz NGIJSNDGAZGCBW-GFCCVEGCSA-N -1 3 384.415 3.157 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737087418 598627493 /nfs/dbraw/zinc/62/74/93/598627493.db2.gz NGIJSNDGAZGCBW-GFCCVEGCSA-N -1 3 384.415 3.157 20 0 GGADHM Cc1cc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)nc(C(C)C)n1 ZINC000737270070 598631903 /nfs/dbraw/zinc/63/19/03/598631903.db2.gz ACQUAYOWHOKDOY-UHFFFAOYSA-N -1 3 398.902 3.069 20 0 GGADHM Cc1cc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)nc(C(C)C)n1 ZINC000737270070 598631905 /nfs/dbraw/zinc/63/19/05/598631905.db2.gz ACQUAYOWHOKDOY-UHFFFAOYSA-N -1 3 398.902 3.069 20 0 GGADHM COc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000737090950 598632251 /nfs/dbraw/zinc/63/22/51/598632251.db2.gz XGYXLZGEECGGFP-UHFFFAOYSA-N -1 3 382.399 3.211 20 0 GGADHM COc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000737090950 598632253 /nfs/dbraw/zinc/63/22/53/598632253.db2.gz XGYXLZGEECGGFP-UHFFFAOYSA-N -1 3 382.399 3.211 20 0 GGADHM Clc1cccc(-c2nnn[n-]2)c1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000737575266 598633549 /nfs/dbraw/zinc/63/35/49/598633549.db2.gz OMQHPFJKQPKVDB-QGZVFWFLSA-N -1 3 384.871 3.006 20 0 GGADHM Clc1cccc(-c2nn[n-]n2)c1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000737575266 598633551 /nfs/dbraw/zinc/63/35/51/598633551.db2.gz OMQHPFJKQPKVDB-QGZVFWFLSA-N -1 3 384.871 3.006 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)C1 ZINC000736275106 598633816 /nfs/dbraw/zinc/63/38/16/598633816.db2.gz AANZSHABBRHLDS-CYBMUJFWSA-N -1 3 396.426 3.459 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)C1 ZINC000736275106 598633818 /nfs/dbraw/zinc/63/38/18/598633818.db2.gz AANZSHABBRHLDS-CYBMUJFWSA-N -1 3 396.426 3.459 20 0 GGADHM Cc1[nH]c2ccc(CNC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2c1C ZINC000737199168 598634087 /nfs/dbraw/zinc/63/40/87/598634087.db2.gz MJXPMBVDIMMEOJ-UHFFFAOYSA-N -1 3 379.399 3.426 20 0 GGADHM Cc1[nH]c2ccc(CNC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2c1C ZINC000737199168 598634088 /nfs/dbraw/zinc/63/40/88/598634088.db2.gz MJXPMBVDIMMEOJ-UHFFFAOYSA-N -1 3 379.399 3.426 20 0 GGADHM C[C@H]1CN(c2ccc(CNc3c(Cl)cccc3-c3nnn[n-]3)cn2)C[C@H](C)O1 ZINC000736290161 598634123 /nfs/dbraw/zinc/63/41/23/598634123.db2.gz PCJFEPSPYOCUKA-STQMWFEESA-N -1 3 399.886 3.141 20 0 GGADHM C[C@H]1CN(c2ccc(CNc3c(Cl)cccc3-c3nn[n-]n3)cn2)C[C@H](C)O1 ZINC000736290161 598634124 /nfs/dbraw/zinc/63/41/24/598634124.db2.gz PCJFEPSPYOCUKA-STQMWFEESA-N -1 3 399.886 3.141 20 0 GGADHM Cc1ccccc1-c1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)n1C ZINC000737417055 598643246 /nfs/dbraw/zinc/64/32/46/598643246.db2.gz FKSDBWPJIQNPQT-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM Cc1ccccc1-c1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)n1C ZINC000737417055 598643247 /nfs/dbraw/zinc/64/32/47/598643247.db2.gz FKSDBWPJIQNPQT-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM COc1ccc(Cc2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)o2)cc1 ZINC000737097041 598643389 /nfs/dbraw/zinc/64/33/89/598643389.db2.gz HMKYTZLCKJAJTE-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1ccc(Cc2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)o2)cc1 ZINC000737097041 598643391 /nfs/dbraw/zinc/64/33/91/598643391.db2.gz HMKYTZLCKJAJTE-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738313748 598644807 /nfs/dbraw/zinc/64/48/07/598644807.db2.gz MANYFSJJLVSSFP-QPEQYQDCSA-N -1 3 387.421 3.304 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000738313748 598644809 /nfs/dbraw/zinc/64/48/09/598644809.db2.gz MANYFSJJLVSSFP-QPEQYQDCSA-N -1 3 387.421 3.304 20 0 GGADHM CO[C@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736962347 598644919 /nfs/dbraw/zinc/64/49/19/598644919.db2.gz OPBHFEJTUGCEGJ-IRXDYDNUSA-N -1 3 395.419 3.168 20 0 GGADHM CO[C@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736962347 598644921 /nfs/dbraw/zinc/64/49/21/598644921.db2.gz OPBHFEJTUGCEGJ-IRXDYDNUSA-N -1 3 395.419 3.168 20 0 GGADHM COc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000737104779 598645031 /nfs/dbraw/zinc/64/50/31/598645031.db2.gz YNKMYGDHTYPECS-UHFFFAOYSA-N -1 3 397.435 3.072 20 0 GGADHM COc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737104779 598645032 /nfs/dbraw/zinc/64/50/32/598645032.db2.gz YNKMYGDHTYPECS-UHFFFAOYSA-N -1 3 397.435 3.072 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Br)c1 ZINC000737948300 598646164 /nfs/dbraw/zinc/64/61/64/598646164.db2.gz SOXTXUASHMZPSV-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Br)c1 ZINC000737948300 598646165 /nfs/dbraw/zinc/64/61/65/598646165.db2.gz SOXTXUASHMZPSV-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM COc1ccc2c(c1)CCCN(C(=S)Nc1ccccc1-c1nnn[n-]1)C2 ZINC000737119686 598646343 /nfs/dbraw/zinc/64/63/43/598646343.db2.gz SHHFDICCLSZGMP-UHFFFAOYSA-N -1 3 380.477 3.021 20 0 GGADHM COc1ccc2c(c1)CCCN(C(=S)Nc1ccccc1-c1nn[n-]n1)C2 ZINC000737119686 598646345 /nfs/dbraw/zinc/64/63/45/598646345.db2.gz SHHFDICCLSZGMP-UHFFFAOYSA-N -1 3 380.477 3.021 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737141760 598646840 /nfs/dbraw/zinc/64/68/40/598646840.db2.gz KTQRSLBRMQRINQ-HNNXBMFYSA-N -1 3 395.463 3.302 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737141760 598646843 /nfs/dbraw/zinc/64/68/43/598646843.db2.gz KTQRSLBRMQRINQ-HNNXBMFYSA-N -1 3 395.463 3.302 20 0 GGADHM Cc1cnc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)s1 ZINC000737446869 598647609 /nfs/dbraw/zinc/64/76/09/598647609.db2.gz WYRRXDQRADHOOU-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM Cc1cnc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)s1 ZINC000737446869 598647610 /nfs/dbraw/zinc/64/76/10/598647610.db2.gz WYRRXDQRADHOOU-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1nc2ccccc2s1 ZINC000737946404 598647970 /nfs/dbraw/zinc/64/79/70/598647970.db2.gz FBROMMNDVOBFOP-UHFFFAOYSA-N -1 3 383.458 3.312 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1nc2ccccc2s1 ZINC000737946404 598647971 /nfs/dbraw/zinc/64/79/71/598647971.db2.gz FBROMMNDVOBFOP-UHFFFAOYSA-N -1 3 383.458 3.312 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC[C@H]1CCCCO1 ZINC000736628558 598648174 /nfs/dbraw/zinc/64/81/74/598648174.db2.gz PFBWXDWIOZRAET-GFCCVEGCSA-N -1 3 380.832 3.174 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC[C@H]1CCCCO1 ZINC000736628558 598648175 /nfs/dbraw/zinc/64/81/75/598648175.db2.gz PFBWXDWIOZRAET-GFCCVEGCSA-N -1 3 380.832 3.174 20 0 GGADHM Cc1ccccc1CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737427223 598648344 /nfs/dbraw/zinc/64/83/44/598648344.db2.gz BENREDPZSJVZHZ-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1ccccc1CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737427223 598648346 /nfs/dbraw/zinc/64/83/46/598648346.db2.gz BENREDPZSJVZHZ-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCc2ccccc2C1 ZINC000737832248 598648604 /nfs/dbraw/zinc/64/86/04/598648604.db2.gz HLPJDBHPTPXRJI-LJQANCHMSA-N -1 3 391.475 3.090 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2ccccc2C1 ZINC000737832248 598648605 /nfs/dbraw/zinc/64/86/05/598648605.db2.gz HLPJDBHPTPXRJI-LJQANCHMSA-N -1 3 391.475 3.090 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC1(c2ccccc2)CC1 ZINC000737833504 598649301 /nfs/dbraw/zinc/64/93/01/598649301.db2.gz UVFNEGNWOPTLJY-UHFFFAOYSA-N -1 3 391.475 3.264 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC1(c2ccccc2)CC1 ZINC000737833504 598649303 /nfs/dbraw/zinc/64/93/03/598649303.db2.gz UVFNEGNWOPTLJY-UHFFFAOYSA-N -1 3 391.475 3.264 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCSCc1ccccc1 ZINC000737942278 598649591 /nfs/dbraw/zinc/64/95/91/598649591.db2.gz XNFJZSCVZPTJQP-UHFFFAOYSA-N -1 3 385.518 3.008 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCSCc1ccccc1 ZINC000737942278 598649593 /nfs/dbraw/zinc/64/95/93/598649593.db2.gz XNFJZSCVZPTJQP-UHFFFAOYSA-N -1 3 385.518 3.008 20 0 GGADHM COc1ccc([C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737073914 598650349 /nfs/dbraw/zinc/65/03/49/598650349.db2.gz GCXVVSVSUHLWSM-LJQANCHMSA-N -1 3 397.504 3.481 20 0 GGADHM COc1ccc([C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737073914 598650351 /nfs/dbraw/zinc/65/03/51/598650351.db2.gz GCXVVSVSUHLWSM-LJQANCHMSA-N -1 3 397.504 3.481 20 0 GGADHM CCN(C(=O)c1ccc(OCCOC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509373 598651530 /nfs/dbraw/zinc/65/15/30/598651530.db2.gz WLNBANADUHMEBV-OAHLLOKOSA-N -1 3 395.463 3.115 20 0 GGADHM CCN(C(=O)c1ccc(OCCOC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509373 598651531 /nfs/dbraw/zinc/65/15/31/598651531.db2.gz WLNBANADUHMEBV-OAHLLOKOSA-N -1 3 395.463 3.115 20 0 GGADHM CC(C)COc1ncccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735843876 598651687 /nfs/dbraw/zinc/65/16/87/598651687.db2.gz CQDHCFJKVHIOCE-UHFFFAOYSA-N -1 3 394.479 3.347 20 0 GGADHM CC(C)COc1ncccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735843876 598651689 /nfs/dbraw/zinc/65/16/89/598651689.db2.gz CQDHCFJKVHIOCE-UHFFFAOYSA-N -1 3 394.479 3.347 20 0 GGADHM CCOc1ccc(N(CC)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736644012 598652109 /nfs/dbraw/zinc/65/21/09/598652109.db2.gz DNLIUWRVJUGHOK-UHFFFAOYSA-N -1 3 383.477 3.411 20 0 GGADHM CCOc1ccc(N(CC)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736644012 598652111 /nfs/dbraw/zinc/65/21/11/598652111.db2.gz DNLIUWRVJUGHOK-UHFFFAOYSA-N -1 3 383.477 3.411 20 0 GGADHM Cc1ccccc1C[C@@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737426038 598653103 /nfs/dbraw/zinc/65/31/03/598653103.db2.gz HXLBGEUSJYAOKM-QGZVFWFLSA-N -1 3 393.491 3.472 20 0 GGADHM Cc1ccccc1C[C@@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737426038 598653105 /nfs/dbraw/zinc/65/31/05/598653105.db2.gz HXLBGEUSJYAOKM-QGZVFWFLSA-N -1 3 393.491 3.472 20 0 GGADHM CCC(=O)Nc1ccc(C)c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736308205 598653211 /nfs/dbraw/zinc/65/32/11/598653211.db2.gz AUROVZQELRKCBS-UHFFFAOYSA-N -1 3 396.476 3.254 20 0 GGADHM CCC(=O)Nc1ccc(C)c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308205 598653213 /nfs/dbraw/zinc/65/32/13/598653213.db2.gz AUROVZQELRKCBS-UHFFFAOYSA-N -1 3 396.476 3.254 20 0 GGADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735671812 598654060 /nfs/dbraw/zinc/65/40/60/598654060.db2.gz KXPQRNAJHVKFKH-UHFFFAOYSA-N -1 3 379.464 3.467 20 0 GGADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735671812 598654061 /nfs/dbraw/zinc/65/40/61/598654061.db2.gz KXPQRNAJHVKFKH-UHFFFAOYSA-N -1 3 379.464 3.467 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(s1)CCOC2 ZINC000735905091 598655199 /nfs/dbraw/zinc/65/51/99/598655199.db2.gz DLOXVEZAVDJXHY-UHFFFAOYSA-N -1 3 385.449 3.040 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(s1)CCOC2 ZINC000735905091 598655201 /nfs/dbraw/zinc/65/52/01/598655201.db2.gz DLOXVEZAVDJXHY-UHFFFAOYSA-N -1 3 385.449 3.040 20 0 GGADHM COc1ccc(C)c2c1N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737074562 598658321 /nfs/dbraw/zinc/65/83/21/598658321.db2.gz JAADEJXUPFEFHI-UHFFFAOYSA-N -1 3 395.488 3.255 20 0 GGADHM COc1ccc(C)c2c1N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737074562 598658323 /nfs/dbraw/zinc/65/83/23/598658323.db2.gz JAADEJXUPFEFHI-UHFFFAOYSA-N -1 3 395.488 3.255 20 0 GGADHM O=C(CSc1ccc2c3c(cccc31)CC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737948575 598659109 /nfs/dbraw/zinc/65/91/09/598659109.db2.gz XRZUQMBRQKKWIX-UHFFFAOYSA-N -1 3 388.456 3.244 20 0 GGADHM O=C(CSc1ccc2c3c(cccc31)CC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737948575 598659111 /nfs/dbraw/zinc/65/91/11/598659111.db2.gz XRZUQMBRQKKWIX-UHFFFAOYSA-N -1 3 388.456 3.244 20 0 GGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000821164571 607363746 /nfs/dbraw/zinc/36/37/46/607363746.db2.gz HYCKZOUFEFOHOP-LBPRGKRZSA-N -1 3 386.431 3.237 20 0 GGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@@H](C)c1ccc(F)cc1 ZINC000821164571 607363747 /nfs/dbraw/zinc/36/37/47/607363747.db2.gz HYCKZOUFEFOHOP-LBPRGKRZSA-N -1 3 386.431 3.237 20 0 GGADHM COc1ccccc1C(C)(C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737139091 598660435 /nfs/dbraw/zinc/66/04/35/598660435.db2.gz SOEBNHMFZKVQHS-UHFFFAOYSA-N -1 3 397.504 3.160 20 0 GGADHM COc1ccccc1C(C)(C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737139091 598660437 /nfs/dbraw/zinc/66/04/37/598660437.db2.gz SOEBNHMFZKVQHS-UHFFFAOYSA-N -1 3 397.504 3.160 20 0 GGADHM CCCCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1OC ZINC000736447562 598661282 /nfs/dbraw/zinc/66/12/82/598661282.db2.gz QSRBENVSXRWUQW-UHFFFAOYSA-N -1 3 396.451 3.482 20 0 GGADHM CCCCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000736447562 598661284 /nfs/dbraw/zinc/66/12/84/598661284.db2.gz QSRBENVSXRWUQW-UHFFFAOYSA-N -1 3 396.451 3.482 20 0 GGADHM CCCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736438672 598661743 /nfs/dbraw/zinc/66/17/43/598661743.db2.gz OVZOECWWVISQQY-IBGZPJMESA-N -1 3 395.463 3.302 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000737196612 598665152 /nfs/dbraw/zinc/66/51/52/598665152.db2.gz UKPGBMMNMJGIRC-SAZUREKKSA-N -1 3 378.436 3.363 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000737196612 598665154 /nfs/dbraw/zinc/66/51/54/598665154.db2.gz UKPGBMMNMJGIRC-SAZUREKKSA-N -1 3 378.436 3.363 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1cc(F)ccc1F ZINC000737831647 598665787 /nfs/dbraw/zinc/66/57/87/598665787.db2.gz CDHNFMHDUAFTRW-UHFFFAOYSA-N -1 3 387.390 3.010 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1cc(F)ccc1F ZINC000737831647 598665789 /nfs/dbraw/zinc/66/57/89/598665789.db2.gz CDHNFMHDUAFTRW-UHFFFAOYSA-N -1 3 387.390 3.010 20 0 GGADHM CN(Cc1ccccn1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736828842 598666454 /nfs/dbraw/zinc/66/64/54/598666454.db2.gz QBCRXNHPVCCZAE-UHFFFAOYSA-N -1 3 386.415 3.326 20 0 GGADHM CN(Cc1ccccn1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736828842 598666455 /nfs/dbraw/zinc/66/64/55/598666455.db2.gz QBCRXNHPVCCZAE-UHFFFAOYSA-N -1 3 386.415 3.326 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736423734 598667809 /nfs/dbraw/zinc/66/78/09/598667809.db2.gz NVPXCDVSKFMYQP-QWHCGFSZSA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736423734 598667810 /nfs/dbraw/zinc/66/78/10/598667810.db2.gz NVPXCDVSKFMYQP-QWHCGFSZSA-N -1 3 376.892 3.041 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736167785 598668991 /nfs/dbraw/zinc/66/89/91/598668991.db2.gz GKLIUXVLEHAKIS-CZUORRHYSA-N -1 3 397.866 3.304 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736167787 598669011 /nfs/dbraw/zinc/66/90/11/598669011.db2.gz GKLIUXVLEHAKIS-XJKSGUPXSA-N -1 3 397.866 3.304 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737918486 598671979 /nfs/dbraw/zinc/67/19/79/598671979.db2.gz HFBAJBVFPQAVEV-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM Brc1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000735369359 598672510 /nfs/dbraw/zinc/67/25/10/598672510.db2.gz RWFCLZOWVHJXFL-OAHLLOKOSA-N -1 3 385.269 3.320 20 0 GGADHM O=C(NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1)Nc1cccc(F)c1 ZINC000738048379 598673294 /nfs/dbraw/zinc/67/32/94/598673294.db2.gz FTCLRFNBUUDXPV-CQSZACIVSA-N -1 3 395.442 3.044 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)o1 ZINC000737343169 598682297 /nfs/dbraw/zinc/68/22/97/598682297.db2.gz WPXWSOSDCURWKK-UHFFFAOYSA-N -1 3 390.403 3.228 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)o1 ZINC000737343169 598682299 /nfs/dbraw/zinc/68/22/99/598682299.db2.gz WPXWSOSDCURWKK-UHFFFAOYSA-N -1 3 390.403 3.228 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)no1 ZINC000737261001 598683327 /nfs/dbraw/zinc/68/33/27/598683327.db2.gz BIMQWNQSURGUJF-GOSISDBHSA-N -1 3 396.451 3.076 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)no1 ZINC000737261001 598683329 /nfs/dbraw/zinc/68/33/29/598683329.db2.gz BIMQWNQSURGUJF-GOSISDBHSA-N -1 3 396.451 3.076 20 0 GGADHM CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736400910 598683576 /nfs/dbraw/zinc/68/35/76/598683576.db2.gz DKIYTCKOZYUUTK-AWEZNQCLSA-N -1 3 378.436 3.316 20 0 GGADHM CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736400910 598683577 /nfs/dbraw/zinc/68/35/77/598683577.db2.gz DKIYTCKOZYUUTK-AWEZNQCLSA-N -1 3 378.436 3.316 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1n[nH]c2ccc(F)cc21 ZINC000737840997 598689276 /nfs/dbraw/zinc/68/92/76/598689276.db2.gz HUIQODAHHLADTF-UHFFFAOYSA-N -1 3 395.398 3.070 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1n[nH]c2ccc(F)cc21 ZINC000737840997 598689277 /nfs/dbraw/zinc/68/92/77/598689277.db2.gz HUIQODAHHLADTF-UHFFFAOYSA-N -1 3 395.398 3.070 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CCC[C@@H]1C1CCC1 ZINC000738271267 598689645 /nfs/dbraw/zinc/68/96/45/598689645.db2.gz UDVQLXKUFZCTEG-GOSISDBHSA-N -1 3 390.447 3.459 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CCC[C@@H]1C1CCC1 ZINC000738271267 598689646 /nfs/dbraw/zinc/68/96/46/598689646.db2.gz UDVQLXKUFZCTEG-GOSISDBHSA-N -1 3 390.447 3.459 20 0 GGADHM O=C(NCCc1cscn1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738087216 598690915 /nfs/dbraw/zinc/69/09/15/598690915.db2.gz BCUOZOJCYFKUEL-UHFFFAOYSA-N -1 3 392.444 3.088 20 0 GGADHM O=C(NCCc1cscn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738087216 598690917 /nfs/dbraw/zinc/69/09/17/598690917.db2.gz BCUOZOJCYFKUEL-UHFFFAOYSA-N -1 3 392.444 3.088 20 0 GGADHM C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736197915 598691636 /nfs/dbraw/zinc/69/16/36/598691636.db2.gz DLQVDWLDMWVOFB-JTQLQIEISA-N -1 3 395.847 3.041 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csnn1 ZINC000737269629 598693199 /nfs/dbraw/zinc/69/31/99/598693199.db2.gz DZNYEDNPTSLBGM-UHFFFAOYSA-N -1 3 395.423 3.013 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csnn1 ZINC000737269629 598693201 /nfs/dbraw/zinc/69/32/01/598693201.db2.gz DZNYEDNPTSLBGM-UHFFFAOYSA-N -1 3 395.423 3.013 20 0 GGADHM CCc1cccc2c(CCNC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000736695432 598696324 /nfs/dbraw/zinc/69/63/24/598696324.db2.gz LSMRTHXBNLZGOU-UHFFFAOYSA-N -1 3 388.475 3.202 20 0 GGADHM CCc1cccc2c(CCNC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000736695432 598696326 /nfs/dbraw/zinc/69/63/26/598696326.db2.gz LSMRTHXBNLZGOU-UHFFFAOYSA-N -1 3 388.475 3.202 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)NCc1ccc(Cl)cc1 ZINC000737935734 598697280 /nfs/dbraw/zinc/69/72/80/598697280.db2.gz FZOMQRDQRJUFSQ-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)NCc1ccc(Cl)cc1 ZINC000737935734 598697282 /nfs/dbraw/zinc/69/72/82/598697282.db2.gz FZOMQRDQRJUFSQ-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM O=c1[nH]c2ccccc2n1CCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738373013 598698211 /nfs/dbraw/zinc/69/82/11/598698211.db2.gz ZZWGKCURAUXNOP-UHFFFAOYSA-N -1 3 384.440 3.385 20 0 GGADHM O=c1[nH]c2ccccc2n1CCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000738373013 598698213 /nfs/dbraw/zinc/69/82/13/598698213.db2.gz ZZWGKCURAUXNOP-UHFFFAOYSA-N -1 3 384.440 3.385 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC(Cc2ccccc2F)CC1 ZINC000737851841 598699348 /nfs/dbraw/zinc/69/93/48/598699348.db2.gz KKDZTVFMCKONEA-UHFFFAOYSA-N -1 3 393.466 3.420 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC(Cc2ccccc2F)CC1 ZINC000737851841 598699350 /nfs/dbraw/zinc/69/93/50/598699350.db2.gz KKDZTVFMCKONEA-UHFFFAOYSA-N -1 3 393.466 3.420 20 0 GGADHM Cc1ccc(Cl)c(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737343032 598701619 /nfs/dbraw/zinc/70/16/19/598701619.db2.gz KYPSDAFMZWHBAO-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1ccc(Cl)c(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737343032 598701621 /nfs/dbraw/zinc/70/16/21/598701621.db2.gz KYPSDAFMZWHBAO-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1cc(F)ccc1N(CC(=O)NC(C)(C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737263632 598703741 /nfs/dbraw/zinc/70/37/41/598703741.db2.gz MWBZUXWYOCKPAJ-UHFFFAOYSA-N -1 3 396.470 3.236 20 0 GGADHM Cc1cc(F)ccc1N(CC(=O)NC(C)(C)C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737263632 598703743 /nfs/dbraw/zinc/70/37/43/598703743.db2.gz MWBZUXWYOCKPAJ-UHFFFAOYSA-N -1 3 396.470 3.236 20 0 GGADHM CCc1nnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)o1 ZINC000736705915 598703826 /nfs/dbraw/zinc/70/38/26/598703826.db2.gz CKKPZUBZOKFOJY-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM CCc1nnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)o1 ZINC000736705915 598703827 /nfs/dbraw/zinc/70/38/27/598703827.db2.gz CKKPZUBZOKFOJY-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM CCOc1ccc(SCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736652219 598704142 /nfs/dbraw/zinc/70/41/42/598704142.db2.gz VQKBYOVITITCGI-UHFFFAOYSA-N -1 3 388.424 3.240 20 0 GGADHM CCOc1ccc(SCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736652219 598704143 /nfs/dbraw/zinc/70/41/43/598704143.db2.gz VQKBYOVITITCGI-UHFFFAOYSA-N -1 3 388.424 3.240 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@@H](C)c2ccccc21 ZINC000820741127 607363402 /nfs/dbraw/zinc/36/34/02/607363402.db2.gz BLIIDPUIILQLIT-VXGBXAGGSA-N -1 3 394.504 3.368 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@@H](C)c2ccccc21 ZINC000820741127 607363404 /nfs/dbraw/zinc/36/34/04/607363404.db2.gz BLIIDPUIILQLIT-VXGBXAGGSA-N -1 3 394.504 3.368 20 0 GGADHM O=C(CSc1ccc(F)c(F)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737947894 598706931 /nfs/dbraw/zinc/70/69/31/598706931.db2.gz RRDFNNLXSGEMFI-UHFFFAOYSA-N -1 3 380.351 3.120 20 0 GGADHM O=C(CSc1ccc(F)c(F)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737947894 598706933 /nfs/dbraw/zinc/70/69/33/598706933.db2.gz RRDFNNLXSGEMFI-UHFFFAOYSA-N -1 3 380.351 3.120 20 0 GGADHM O=C(CN1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737874424 598708845 /nfs/dbraw/zinc/70/88/45/598708845.db2.gz CGQDVQUNHFQTIH-GFCCVEGCSA-N -1 3 388.884 3.010 20 0 GGADHM O=C(CN1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737874424 598708846 /nfs/dbraw/zinc/70/88/46/598708846.db2.gz CGQDVQUNHFQTIH-GFCCVEGCSA-N -1 3 388.884 3.010 20 0 GGADHM CC(C)Oc1ncc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1Cl ZINC000735914399 598708986 /nfs/dbraw/zinc/70/89/86/598708986.db2.gz RQWUKBUBVRITPS-UHFFFAOYSA-N -1 3 391.790 3.198 20 0 GGADHM CC(C)Oc1ncc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000735914399 598708987 /nfs/dbraw/zinc/70/89/87/598708987.db2.gz RQWUKBUBVRITPS-UHFFFAOYSA-N -1 3 391.790 3.198 20 0 GGADHM COc1ccc(S[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737115183 598709560 /nfs/dbraw/zinc/70/95/60/598709560.db2.gz MFNAHKIUCCPOSL-NSHDSACASA-N -1 3 388.424 3.238 20 0 GGADHM COc1ccc(S[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737115183 598709561 /nfs/dbraw/zinc/70/95/61/598709561.db2.gz MFNAHKIUCCPOSL-NSHDSACASA-N -1 3 388.424 3.238 20 0 GGADHM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738038159 598714438 /nfs/dbraw/zinc/71/44/38/598714438.db2.gz JAEYATFTYRCDQC-AWEZNQCLSA-N -1 3 393.234 3.029 20 0 GGADHM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738038159 598714439 /nfs/dbraw/zinc/71/44/39/598714439.db2.gz JAEYATFTYRCDQC-AWEZNQCLSA-N -1 3 393.234 3.029 20 0 GGADHM CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736861267 598718243 /nfs/dbraw/zinc/71/82/43/598718243.db2.gz ZVTYEUARHSTYET-KRWDZBQOSA-N -1 3 378.436 3.082 20 0 GGADHM CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736861267 598718245 /nfs/dbraw/zinc/71/82/45/598718245.db2.gz ZVTYEUARHSTYET-KRWDZBQOSA-N -1 3 378.436 3.082 20 0 GGADHM O=C(NCCCOCC1CC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823192712 607365298 /nfs/dbraw/zinc/36/52/98/607365298.db2.gz ZVIIFJKAUHVSQV-UHFFFAOYSA-N -1 3 377.448 3.080 20 0 GGADHM O=C(NCCCOCC1CC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823192712 607365299 /nfs/dbraw/zinc/36/52/99/607365299.db2.gz ZVIIFJKAUHVSQV-UHFFFAOYSA-N -1 3 377.448 3.080 20 0 GGADHM CSc1ccc(NC(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737192748 598722723 /nfs/dbraw/zinc/72/27/23/598722723.db2.gz ZWCDZFVVFSXYTA-UHFFFAOYSA-N -1 3 391.460 3.091 20 0 GGADHM CSc1ccc(NC(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737192748 598722724 /nfs/dbraw/zinc/72/27/24/598722724.db2.gz ZWCDZFVVFSXYTA-UHFFFAOYSA-N -1 3 391.460 3.091 20 0 GGADHM C[C@H](CSc1ccccc1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736045675 598723865 /nfs/dbraw/zinc/72/38/65/598723865.db2.gz BIRWACNWLCCGNG-CQSZACIVSA-N -1 3 384.461 3.217 20 0 GGADHM C[C@H](CSc1ccccc1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736045675 598723867 /nfs/dbraw/zinc/72/38/67/598723867.db2.gz BIRWACNWLCCGNG-CQSZACIVSA-N -1 3 384.461 3.217 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccco2)C1 ZINC000735905239 598728963 /nfs/dbraw/zinc/72/89/63/598728963.db2.gz HTCMDQYCCNXUMG-AWEZNQCLSA-N -1 3 382.424 3.268 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccco2)C1 ZINC000735905239 598728964 /nfs/dbraw/zinc/72/89/64/598728964.db2.gz HTCMDQYCCNXUMG-AWEZNQCLSA-N -1 3 382.424 3.268 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737489180 598730099 /nfs/dbraw/zinc/73/00/99/598730099.db2.gz XBSXJBNJQAOLQP-MEDUHNTESA-N -1 3 397.508 3.412 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737489180 598730100 /nfs/dbraw/zinc/73/01/00/598730100.db2.gz XBSXJBNJQAOLQP-MEDUHNTESA-N -1 3 397.508 3.412 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CC[C@H](c2ccco2)C1 ZINC000738144268 598731213 /nfs/dbraw/zinc/73/12/13/598731213.db2.gz BQAZGZPVMDHRTF-NSHDSACASA-N -1 3 390.350 3.083 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CC[C@H](c2ccco2)C1 ZINC000738144268 598731214 /nfs/dbraw/zinc/73/12/14/598731214.db2.gz BQAZGZPVMDHRTF-NSHDSACASA-N -1 3 390.350 3.083 20 0 GGADHM Cc1c(C(=O)OCCNc2ncccc2-c2nnn[n-]2)sc2cccc(F)c12 ZINC000737210269 598735490 /nfs/dbraw/zinc/73/54/90/598735490.db2.gz ZTWBABTUOIMQPP-UHFFFAOYSA-N -1 3 398.423 3.193 20 0 GGADHM Cc1c(C(=O)OCCNc2ncccc2-c2nn[n-]n2)sc2cccc(F)c12 ZINC000737210269 598735491 /nfs/dbraw/zinc/73/54/91/598735491.db2.gz ZTWBABTUOIMQPP-UHFFFAOYSA-N -1 3 398.423 3.193 20 0 GGADHM C[C@H](NC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118790 598735678 /nfs/dbraw/zinc/73/56/78/598735678.db2.gz VZTUWVZYJWRAJD-ZETCQYMHSA-N -1 3 381.198 3.199 20 0 GGADHM C[C@H](NC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118790 598735679 /nfs/dbraw/zinc/73/56/79/598735679.db2.gz VZTUWVZYJWRAJD-ZETCQYMHSA-N -1 3 381.198 3.199 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737355850 598743771 /nfs/dbraw/zinc/74/37/71/598743771.db2.gz LQHCMWHPZYHYKZ-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737355850 598743773 /nfs/dbraw/zinc/74/37/73/598743773.db2.gz LQHCMWHPZYHYKZ-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736263015 598745511 /nfs/dbraw/zinc/74/55/11/598745511.db2.gz PJRMAZRQJFLNES-RDJZCZTQSA-N -1 3 383.496 3.453 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666619 598745765 /nfs/dbraw/zinc/74/57/65/598745765.db2.gz MDNSEGKRXOETPX-ZDUSSCGKSA-N -1 3 383.477 3.235 20 0 GGADHM COCCSc1ccc([C@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737015576 598746710 /nfs/dbraw/zinc/74/67/10/598746710.db2.gz YPAFYTZLWFUUKM-NSHDSACASA-N -1 3 389.506 3.158 20 0 GGADHM COCCSc1ccc([C@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737015576 598746711 /nfs/dbraw/zinc/74/67/11/598746711.db2.gz YPAFYTZLWFUUKM-NSHDSACASA-N -1 3 389.506 3.158 20 0 GGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1sccc1-c1nnn[n-]1 ZINC000737155256 598748814 /nfs/dbraw/zinc/74/88/14/598748814.db2.gz FGWPMPJMZOXXEX-NSHDSACASA-N -1 3 389.506 3.095 20 0 GGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1sccc1-c1nn[n-]n1 ZINC000737155256 598748815 /nfs/dbraw/zinc/74/88/15/598748815.db2.gz FGWPMPJMZOXXEX-NSHDSACASA-N -1 3 389.506 3.095 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccccc1)C(C)(C)C ZINC000736171875 598752798 /nfs/dbraw/zinc/75/27/98/598752798.db2.gz ZDHDVZRZOFCJGE-HNNXBMFYSA-N -1 3 379.464 3.461 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000736171510 598754219 /nfs/dbraw/zinc/75/42/19/598754219.db2.gz WTDBWUBEVUUCTD-LBPRGKRZSA-N -1 3 383.839 3.093 20 0 GGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC000737209053 598754850 /nfs/dbraw/zinc/75/48/50/598754850.db2.gz IZOWIRMIOSBEMA-KRWDZBQOSA-N -1 3 376.420 3.443 20 0 GGADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC000737209053 598754851 /nfs/dbraw/zinc/75/48/51/598754851.db2.gz IZOWIRMIOSBEMA-KRWDZBQOSA-N -1 3 376.420 3.443 20 0 GGADHM CN(CC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)C(=O)OC(C)(C)C ZINC000736792618 598757010 /nfs/dbraw/zinc/75/70/10/598757010.db2.gz SSIKSFOVHXGLMN-UHFFFAOYSA-N -1 3 390.463 3.089 20 0 GGADHM CN(CC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)C(=O)OC(C)(C)C ZINC000736792618 598757012 /nfs/dbraw/zinc/75/70/12/598757012.db2.gz SSIKSFOVHXGLMN-UHFFFAOYSA-N -1 3 390.463 3.089 20 0 GGADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736534228 598760511 /nfs/dbraw/zinc/76/05/11/598760511.db2.gz ILYAYEOQHREDPF-UHFFFAOYSA-N -1 3 379.424 3.318 20 0 GGADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736534228 598760512 /nfs/dbraw/zinc/76/05/12/598760512.db2.gz ILYAYEOQHREDPF-UHFFFAOYSA-N -1 3 379.424 3.318 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000736188108 598762349 /nfs/dbraw/zinc/76/23/49/598762349.db2.gz LKIQVSBAFQCQPY-JTQLQIEISA-N -1 3 377.326 3.292 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000736188108 598762350 /nfs/dbraw/zinc/76/23/50/598762350.db2.gz LKIQVSBAFQCQPY-JTQLQIEISA-N -1 3 377.326 3.292 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1cnc(C)s1 ZINC000736627848 598763294 /nfs/dbraw/zinc/76/32/94/598763294.db2.gz OKVVSWFBSXCMPC-SNAWJCMRSA-N -1 3 391.840 3.303 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1cnc(C)s1 ZINC000736627848 598763295 /nfs/dbraw/zinc/76/32/95/598763295.db2.gz OKVVSWFBSXCMPC-SNAWJCMRSA-N -1 3 391.840 3.303 20 0 GGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)s1 ZINC000737489864 598763826 /nfs/dbraw/zinc/76/38/26/598763826.db2.gz NGLXNOMPJCHDIY-OTQAPUNGSA-N -1 3 386.506 3.470 20 0 GGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)s1 ZINC000737489864 598763827 /nfs/dbraw/zinc/76/38/27/598763827.db2.gz NGLXNOMPJCHDIY-OTQAPUNGSA-N -1 3 386.506 3.470 20 0 GGADHM CCOc1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1Cl ZINC000736655242 598764189 /nfs/dbraw/zinc/76/41/89/598764189.db2.gz RSUMMTUZJISLRL-UHFFFAOYSA-N -1 3 392.872 3.498 20 0 GGADHM CCOc1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1Cl ZINC000736655242 598764191 /nfs/dbraw/zinc/76/41/91/598764191.db2.gz RSUMMTUZJISLRL-UHFFFAOYSA-N -1 3 392.872 3.498 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737419200 598764889 /nfs/dbraw/zinc/76/48/89/598764889.db2.gz DTRUXCRRQKVXSW-SFHVURJKSA-N -1 3 379.464 3.458 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737419200 598764891 /nfs/dbraw/zinc/76/48/91/598764891.db2.gz DTRUXCRRQKVXSW-SFHVURJKSA-N -1 3 379.464 3.458 20 0 GGADHM CC(C)(C)c1cnc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000735652952 598765041 /nfs/dbraw/zinc/76/50/41/598765041.db2.gz ZCFNSATZNJYYBL-UHFFFAOYSA-N -1 3 382.468 3.196 20 0 GGADHM CC(=O)Nc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000735488215 598769159 /nfs/dbraw/zinc/76/91/59/598769159.db2.gz GJNASMDQJVBQNQ-UHFFFAOYSA-N -1 3 395.373 3.264 20 0 GGADHM CC(=O)Nc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000735488215 598769161 /nfs/dbraw/zinc/76/91/61/598769161.db2.gz GJNASMDQJVBQNQ-UHFFFAOYSA-N -1 3 395.373 3.264 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3ccc4c(c3)OCO4)c2c1 ZINC000737648743 598771469 /nfs/dbraw/zinc/77/14/69/598771469.db2.gz BRKWFGXDWVUNPI-UHFFFAOYSA-N -1 3 396.357 3.076 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3ccc4c(c3)OCO4)c2c1 ZINC000737648743 598771470 /nfs/dbraw/zinc/77/14/70/598771470.db2.gz BRKWFGXDWVUNPI-UHFFFAOYSA-N -1 3 396.357 3.076 20 0 GGADHM Fc1cc(OCCOc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000737653815 598775870 /nfs/dbraw/zinc/77/58/70/598775870.db2.gz SDFASJKIGYYFCK-UHFFFAOYSA-N -1 3 379.189 3.226 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2ccccc2F)C1=O ZINC000735906192 598776086 /nfs/dbraw/zinc/77/60/86/598776086.db2.gz POVHMBFAKQFNOS-HNNXBMFYSA-N -1 3 396.426 3.010 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2ccccc2F)C1=O ZINC000735906192 598776088 /nfs/dbraw/zinc/77/60/88/598776088.db2.gz POVHMBFAKQFNOS-HNNXBMFYSA-N -1 3 396.426 3.010 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2ccc(Br)cc21 ZINC000738178758 598778651 /nfs/dbraw/zinc/77/86/51/598778651.db2.gz KMISYZXDBBJLNS-UHFFFAOYSA-N -1 3 385.225 3.224 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2ccc(Br)cc21 ZINC000738178758 598778653 /nfs/dbraw/zinc/77/86/53/598778653.db2.gz KMISYZXDBBJLNS-UHFFFAOYSA-N -1 3 385.225 3.224 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(-c2ccccc2F)no1 ZINC000736183305 598779443 /nfs/dbraw/zinc/77/94/43/598779443.db2.gz JMUASTUWAQJZKU-LLVKDONJSA-N -1 3 394.366 3.067 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(-c2ccccc2F)no1 ZINC000736183305 598779444 /nfs/dbraw/zinc/77/94/44/598779444.db2.gz JMUASTUWAQJZKU-LLVKDONJSA-N -1 3 394.366 3.067 20 0 GGADHM CC(C)(C)CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735604046 598780255 /nfs/dbraw/zinc/78/02/55/598780255.db2.gz RCTGCVNMBZDJFS-UHFFFAOYSA-N -1 3 379.848 3.218 20 0 GGADHM CC(C)(C)CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735604046 598780256 /nfs/dbraw/zinc/78/02/56/598780256.db2.gz RCTGCVNMBZDJFS-UHFFFAOYSA-N -1 3 379.848 3.218 20 0 GGADHM CC(C)CC[C@H](C)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735798706 598781196 /nfs/dbraw/zinc/78/11/96/598781196.db2.gz YLUJDUNAVZNMNX-HNNXBMFYSA-N -1 3 386.500 3.244 20 0 GGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccco2)s1 ZINC000738223198 598781354 /nfs/dbraw/zinc/78/13/54/598781354.db2.gz UJISEJYSPKEVSZ-UHFFFAOYSA-N -1 3 397.416 3.209 20 0 GGADHM CC(C)[C@](C)(O)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735691262 598782225 /nfs/dbraw/zinc/78/22/25/598782225.db2.gz DFPKNYWTMOPHKX-HXUWFJFHSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)[C@](C)(O)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735691262 598782226 /nfs/dbraw/zinc/78/22/26/598782226.db2.gz DFPKNYWTMOPHKX-HXUWFJFHSA-N -1 3 396.451 3.188 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](c1nccs1)c1ccccc1 ZINC000738167182 598782413 /nfs/dbraw/zinc/78/24/13/598782413.db2.gz NYCOLHNMNLGBCU-HNNXBMFYSA-N -1 3 395.423 3.373 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](c1nccs1)c1ccccc1 ZINC000738167182 598782415 /nfs/dbraw/zinc/78/24/15/598782415.db2.gz NYCOLHNMNLGBCU-HNNXBMFYSA-N -1 3 395.423 3.373 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000736112884 598783359 /nfs/dbraw/zinc/78/33/59/598783359.db2.gz VWQOJCMURXHMQK-AWEZNQCLSA-N -1 3 380.452 3.254 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000736112884 598783360 /nfs/dbraw/zinc/78/33/60/598783360.db2.gz VWQOJCMURXHMQK-AWEZNQCLSA-N -1 3 380.452 3.254 20 0 GGADHM Cc1ccc(NC(=S)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737360454 598788770 /nfs/dbraw/zinc/78/87/70/598788770.db2.gz NRDASJDSCNESCE-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM Cc1ccc(NC(=S)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737360454 598788771 /nfs/dbraw/zinc/78/87/71/598788771.db2.gz NRDASJDSCNESCE-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM C[C@H](NC(=O)c1cc(Cl)nc(N2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116824 598789544 /nfs/dbraw/zinc/78/95/44/598789544.db2.gz NNSNGKCSMQFXGB-LBPRGKRZSA-N -1 3 397.870 3.006 20 0 GGADHM C[C@H](NC(=O)c1cc(Cl)nc(N2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116824 598789546 /nfs/dbraw/zinc/78/95/46/598789546.db2.gz NNSNGKCSMQFXGB-LBPRGKRZSA-N -1 3 397.870 3.006 20 0 GGADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000736260478 598789759 /nfs/dbraw/zinc/78/97/59/598789759.db2.gz HUCOFBSZVMGFQR-NWDGAFQWSA-N -1 3 375.498 3.341 20 0 GGADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000736260478 598789760 /nfs/dbraw/zinc/78/97/60/598789760.db2.gz HUCOFBSZVMGFQR-NWDGAFQWSA-N -1 3 375.498 3.341 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736469082 598790019 /nfs/dbraw/zinc/79/00/19/598790019.db2.gz DXRKJAGTHGSODG-UHFFFAOYSA-N -1 3 392.463 3.015 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736469082 598790020 /nfs/dbraw/zinc/79/00/20/598790020.db2.gz DXRKJAGTHGSODG-UHFFFAOYSA-N -1 3 392.463 3.015 20 0 GGADHM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736529771 598790154 /nfs/dbraw/zinc/79/01/54/598790154.db2.gz RDBPDGSAMACJCU-UHFFFAOYSA-N -1 3 398.854 3.254 20 0 GGADHM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736529771 598790156 /nfs/dbraw/zinc/79/01/56/598790156.db2.gz RDBPDGSAMACJCU-UHFFFAOYSA-N -1 3 398.854 3.254 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(C(=O)N(C)CC)c2)c1-c1nnn[n-]1 ZINC000736675320 598791406 /nfs/dbraw/zinc/79/14/06/598791406.db2.gz KJZLKOTVIKFAGH-UHFFFAOYSA-N -1 3 398.492 3.143 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(C(=O)N(C)CC)c2)c1-c1nn[n-]n1 ZINC000736675320 598791407 /nfs/dbraw/zinc/79/14/07/598791407.db2.gz KJZLKOTVIKFAGH-UHFFFAOYSA-N -1 3 398.492 3.143 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Cc1ccccc1OC ZINC000736634762 598791527 /nfs/dbraw/zinc/79/15/27/598791527.db2.gz IIMCDLSRVCRLJE-UHFFFAOYSA-N -1 3 395.463 3.481 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Cc1ccccc1OC ZINC000736634762 598791528 /nfs/dbraw/zinc/79/15/28/598791528.db2.gz IIMCDLSRVCRLJE-UHFFFAOYSA-N -1 3 395.463 3.481 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000737023379 598791645 /nfs/dbraw/zinc/79/16/45/598791645.db2.gz DNMHUWOCUFEXJV-FQEVSTJZSA-N -1 3 395.463 3.110 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000737023379 598791647 /nfs/dbraw/zinc/79/16/47/598791647.db2.gz DNMHUWOCUFEXJV-FQEVSTJZSA-N -1 3 395.463 3.110 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000736183975 598793774 /nfs/dbraw/zinc/79/37/74/598793774.db2.gz VJFBUIAOPQAVQG-SJCJKPOMSA-N -1 3 399.401 3.276 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000736183975 598793776 /nfs/dbraw/zinc/79/37/76/598793776.db2.gz VJFBUIAOPQAVQG-SJCJKPOMSA-N -1 3 399.401 3.276 20 0 GGADHM COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737131640 598800187 /nfs/dbraw/zinc/80/01/87/598800187.db2.gz XFIJUUFOIUPBFB-LLVKDONJSA-N -1 3 386.843 3.281 20 0 GGADHM COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737131640 598800188 /nfs/dbraw/zinc/80/01/88/598800188.db2.gz XFIJUUFOIUPBFB-LLVKDONJSA-N -1 3 386.843 3.281 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737154086 598800519 /nfs/dbraw/zinc/80/05/19/598800519.db2.gz XTBXIQWYCCNDFQ-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737154086 598800521 /nfs/dbraw/zinc/80/05/21/598800521.db2.gz XTBXIQWYCCNDFQ-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737153871 598800649 /nfs/dbraw/zinc/80/06/49/598800649.db2.gz VZSWSPBAWDASSU-UHFFFAOYSA-N -1 3 396.447 3.066 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737153871 598800651 /nfs/dbraw/zinc/80/06/51/598800651.db2.gz VZSWSPBAWDASSU-UHFFFAOYSA-N -1 3 396.447 3.066 20 0 GGADHM CN(C)C(=O)Sc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736752048 598803399 /nfs/dbraw/zinc/80/33/99/598803399.db2.gz SEFOOEOVQCTHON-GHXNOFRVSA-N -1 3 394.460 3.292 20 0 GGADHM CN(C)C(=O)Sc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736752048 598803400 /nfs/dbraw/zinc/80/34/00/598803400.db2.gz SEFOOEOVQCTHON-GHXNOFRVSA-N -1 3 394.460 3.292 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000737289030 598804136 /nfs/dbraw/zinc/80/41/36/598804136.db2.gz NSCVKAIVXNRIQR-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000737289030 598804138 /nfs/dbraw/zinc/80/41/38/598804138.db2.gz NSCVKAIVXNRIQR-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737477527 598805093 /nfs/dbraw/zinc/80/50/93/598805093.db2.gz NTPVSZKOCWEYBB-UHFFFAOYSA-N -1 3 395.423 3.009 20 0 GGADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737477527 598805094 /nfs/dbraw/zinc/80/50/94/598805094.db2.gz NTPVSZKOCWEYBB-UHFFFAOYSA-N -1 3 395.423 3.009 20 0 GGADHM C[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735976308 598806030 /nfs/dbraw/zinc/80/60/30/598806030.db2.gz KZHACLSOSZUJRR-CYBMUJFWSA-N -1 3 391.410 3.324 20 0 GGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736058818 598806042 /nfs/dbraw/zinc/80/60/42/598806042.db2.gz POVSSYDEYWFJLQ-CYBMUJFWSA-N -1 3 391.410 3.009 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC(C)(C)C)CC(F)(F)F ZINC000736163620 598807412 /nfs/dbraw/zinc/80/74/12/598807412.db2.gz JODQDACKWJFEJV-LLVKDONJSA-N -1 3 385.390 3.071 20 0 GGADHM O=C(Cc1ccc2ccccc2c1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737966963 598807768 /nfs/dbraw/zinc/80/77/68/598807768.db2.gz NYYWAFJELQPPDE-UHFFFAOYSA-N -1 3 395.426 3.387 20 0 GGADHM CC(C)(CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735664014 598808021 /nfs/dbraw/zinc/80/80/21/598808021.db2.gz DKNQJASLVXZXFE-UHFFFAOYSA-N -1 3 387.447 3.359 20 0 GGADHM Cc1nc2ccccc2cc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737490344 598809149 /nfs/dbraw/zinc/80/91/49/598809149.db2.gz SXGLCEFPQGXQPM-UHFFFAOYSA-N -1 3 396.414 3.161 20 0 GGADHM CC(C)C(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735693260 598813193 /nfs/dbraw/zinc/81/31/93/598813193.db2.gz YJEBMWLXKYWDLM-KHPPLWFESA-N -1 3 377.404 3.080 20 0 GGADHM CC(C)C(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735693260 598813194 /nfs/dbraw/zinc/81/31/94/598813194.db2.gz YJEBMWLXKYWDLM-KHPPLWFESA-N -1 3 377.404 3.080 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCOc1cccc2cccnc21 ZINC000737558200 598816854 /nfs/dbraw/zinc/81/68/54/598816854.db2.gz LTVNOTXABHCZGT-UHFFFAOYSA-N -1 3 381.827 3.344 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCOc1cccc2cccnc21 ZINC000737558200 598816855 /nfs/dbraw/zinc/81/68/55/598816855.db2.gz LTVNOTXABHCZGT-UHFFFAOYSA-N -1 3 381.827 3.344 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000735625400 598816931 /nfs/dbraw/zinc/81/69/31/598816931.db2.gz FHDJPUSNQJYIMO-ZDUSSCGKSA-N -1 3 376.436 3.207 20 0 GGADHM C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110117 598816957 /nfs/dbraw/zinc/81/69/57/598816957.db2.gz GBXGVAJKULKREL-LLVKDONJSA-N -1 3 375.354 3.305 20 0 GGADHM C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110117 598816959 /nfs/dbraw/zinc/81/69/59/598816959.db2.gz GBXGVAJKULKREL-LLVKDONJSA-N -1 3 375.354 3.305 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000735624707 598818208 /nfs/dbraw/zinc/81/82/08/598818208.db2.gz ABGRPSNLMROVGQ-LBPRGKRZSA-N -1 3 393.879 3.117 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000735624707 598818210 /nfs/dbraw/zinc/81/82/10/598818210.db2.gz ABGRPSNLMROVGQ-LBPRGKRZSA-N -1 3 393.879 3.117 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000735624703 598818313 /nfs/dbraw/zinc/81/83/13/598818313.db2.gz ABGRPSNLMROVGQ-GFCCVEGCSA-N -1 3 393.879 3.117 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000735624703 598818314 /nfs/dbraw/zinc/81/83/14/598818314.db2.gz ABGRPSNLMROVGQ-GFCCVEGCSA-N -1 3 393.879 3.117 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccccc1N1CCCCC1 ZINC000737023965 598822191 /nfs/dbraw/zinc/82/21/91/598822191.db2.gz IHBKGAWKIXEPEV-UHFFFAOYSA-N -1 3 379.420 3.085 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccccc1N1CCCCC1 ZINC000737023965 598822192 /nfs/dbraw/zinc/82/21/92/598822192.db2.gz IHBKGAWKIXEPEV-UHFFFAOYSA-N -1 3 379.420 3.085 20 0 GGADHM O=C(NCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823223488 599292788 /nfs/dbraw/zinc/29/27/88/599292788.db2.gz ADSJCDVFUUYBAE-UHFFFAOYSA-N -1 3 376.342 3.250 20 0 GGADHM O=C(NCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823223488 599292789 /nfs/dbraw/zinc/29/27/89/599292789.db2.gz ADSJCDVFUUYBAE-UHFFFAOYSA-N -1 3 376.342 3.250 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccn1 ZINC000820373857 599293765 /nfs/dbraw/zinc/29/37/65/599293765.db2.gz JYOGRDJWWPREDK-VIFPVBQESA-N -1 3 377.330 3.163 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccn1 ZINC000820373857 599293767 /nfs/dbraw/zinc/29/37/67/599293767.db2.gz JYOGRDJWWPREDK-VIFPVBQESA-N -1 3 377.330 3.163 20 0 GGADHM CC(C)(C)c1cnc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000819966039 599296262 /nfs/dbraw/zinc/29/62/62/599296262.db2.gz TXWJZSSKLFSACT-UHFFFAOYSA-N -1 3 375.433 3.082 20 0 GGADHM CC(C)(C)c1cnc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000819966039 599296264 /nfs/dbraw/zinc/29/62/64/599296264.db2.gz TXWJZSSKLFSACT-UHFFFAOYSA-N -1 3 375.433 3.082 20 0 GGADHM CCCCC1CCC(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1 ZINC000736439237 599298594 /nfs/dbraw/zinc/29/85/94/599298594.db2.gz SYULHRCAPKJNIB-UHFFFAOYSA-N -1 3 375.502 3.104 20 0 GGADHM CCCCC1CCC(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1 ZINC000736439237 599298595 /nfs/dbraw/zinc/29/85/95/599298595.db2.gz SYULHRCAPKJNIB-UHFFFAOYSA-N -1 3 375.502 3.104 20 0 GGADHM CC(C)Oc1c(Cl)cccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735904043 599300172 /nfs/dbraw/zinc/30/01/72/599300172.db2.gz KJFANHGNXHEQHS-UHFFFAOYSA-N -1 3 387.827 3.325 20 0 GGADHM CC(C)Oc1c(Cl)cccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735904043 599300175 /nfs/dbraw/zinc/30/01/75/599300175.db2.gz KJFANHGNXHEQHS-UHFFFAOYSA-N -1 3 387.827 3.325 20 0 GGADHM COC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000736976920 599301295 /nfs/dbraw/zinc/30/12/95/599301295.db2.gz HZNDOHIIVONDGY-OAHLLOKOSA-N -1 3 391.353 3.003 20 0 GGADHM COC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736976920 599301296 /nfs/dbraw/zinc/30/12/96/599301296.db2.gz HZNDOHIIVONDGY-OAHLLOKOSA-N -1 3 391.353 3.003 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3cccc(Br)c3C2)n1 ZINC000737244413 599305331 /nfs/dbraw/zinc/30/53/31/599305331.db2.gz GVKOPLZLWVVBFH-UHFFFAOYSA-N -1 3 385.269 3.204 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3cccc(Br)c3C2)n1 ZINC000737244413 599305334 /nfs/dbraw/zinc/30/53/34/599305334.db2.gz GVKOPLZLWVVBFH-UHFFFAOYSA-N -1 3 385.269 3.204 20 0 GGADHM CC(C)CO[C@H](C)c1noc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000820096402 599307768 /nfs/dbraw/zinc/30/77/68/599307768.db2.gz CBEVEOGKRNJZQF-SNVBAGLBSA-N -1 3 378.820 3.216 20 0 GGADHM CC(C)CO[C@H](C)c1noc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820096402 599307769 /nfs/dbraw/zinc/30/77/69/599307769.db2.gz CBEVEOGKRNJZQF-SNVBAGLBSA-N -1 3 378.820 3.216 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509071 599310263 /nfs/dbraw/zinc/31/02/63/599310263.db2.gz RNTQLFMWBWHQRW-UHFFFAOYSA-N -1 3 391.410 3.167 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509071 599310265 /nfs/dbraw/zinc/31/02/65/599310265.db2.gz RNTQLFMWBWHQRW-UHFFFAOYSA-N -1 3 391.410 3.167 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000736195249 599311004 /nfs/dbraw/zinc/31/10/04/599311004.db2.gz FHMUCGWSBHYFOC-QGZVFWFLSA-N -1 3 396.539 3.432 20 0 GGADHM CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504443 599311969 /nfs/dbraw/zinc/31/19/69/599311969.db2.gz DCQYLWVZKRYCRY-UHFFFAOYSA-N -1 3 375.354 3.481 20 0 GGADHM CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504443 599311973 /nfs/dbraw/zinc/31/19/73/599311973.db2.gz DCQYLWVZKRYCRY-UHFFFAOYSA-N -1 3 375.354 3.481 20 0 GGADHM CCN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507201 599312354 /nfs/dbraw/zinc/31/23/54/599312354.db2.gz BODZXTXCHJWEIM-SCLBCKFNSA-N -1 3 390.447 3.128 20 0 GGADHM CCN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507201 599312357 /nfs/dbraw/zinc/31/23/57/599312357.db2.gz BODZXTXCHJWEIM-SCLBCKFNSA-N -1 3 390.447 3.128 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1=CCCCO1 ZINC000738187886 599314106 /nfs/dbraw/zinc/31/41/06/599314106.db2.gz ZVVVVDIVJHUNKY-UHFFFAOYSA-N -1 3 377.404 3.079 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1=CCCCO1 ZINC000738187886 599314108 /nfs/dbraw/zinc/31/41/08/599314108.db2.gz ZVVVVDIVJHUNKY-UHFFFAOYSA-N -1 3 377.404 3.079 20 0 GGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000736198744 599314385 /nfs/dbraw/zinc/31/43/85/599314385.db2.gz UGOFVDIDQSSGPL-INIZCTEOSA-N -1 3 382.512 3.042 20 0 GGADHM CC(C)CCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820081767 599322343 /nfs/dbraw/zinc/32/23/43/599322343.db2.gz UZAOYHBBFPWTAM-HNNXBMFYSA-N -1 3 399.520 3.495 20 0 GGADHM CC(C)CCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820081767 599322346 /nfs/dbraw/zinc/32/23/46/599322346.db2.gz UZAOYHBBFPWTAM-HNNXBMFYSA-N -1 3 399.520 3.495 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820446739 599325040 /nfs/dbraw/zinc/32/50/40/599325040.db2.gz WWIAKGQMOFARCV-CYBMUJFWSA-N -1 3 385.493 3.204 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820446739 599325043 /nfs/dbraw/zinc/32/50/43/599325043.db2.gz WWIAKGQMOFARCV-CYBMUJFWSA-N -1 3 385.493 3.204 20 0 GGADHM Cc1ccc2nc(CS[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc(=O)n2c1 ZINC000737373072 599326592 /nfs/dbraw/zinc/32/65/92/599326592.db2.gz BSAGBVNIYUFZBH-CYBMUJFWSA-N -1 3 378.461 3.177 20 0 GGADHM Cc1ccc2nc(CS[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc(=O)n2c1 ZINC000737373072 599326596 /nfs/dbraw/zinc/32/65/96/599326596.db2.gz BSAGBVNIYUFZBH-CYBMUJFWSA-N -1 3 378.461 3.177 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCCOCCOc1ccccc1 ZINC000735905995 599327518 /nfs/dbraw/zinc/32/75/18/599327518.db2.gz OXXHRUOPNADALE-UHFFFAOYSA-N -1 3 383.452 3.161 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCCOCCOc1ccccc1 ZINC000735905995 599327521 /nfs/dbraw/zinc/32/75/21/599327521.db2.gz OXXHRUOPNADALE-UHFFFAOYSA-N -1 3 383.452 3.161 20 0 GGADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826414929 607369357 /nfs/dbraw/zinc/36/93/57/607369357.db2.gz MNYUTLFAWXBPMF-CVEARBPZSA-N -1 3 382.807 3.050 20 0 GGADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826414929 607369359 /nfs/dbraw/zinc/36/93/59/607369359.db2.gz MNYUTLFAWXBPMF-CVEARBPZSA-N -1 3 382.807 3.050 20 0 GGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccccc1 ZINC000736189602 599330403 /nfs/dbraw/zinc/33/04/03/599330403.db2.gz QBCZPCOXKCOBGH-LSDHHAIUSA-N -1 3 381.505 3.408 20 0 GGADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccccc1 ZINC000736189602 599330406 /nfs/dbraw/zinc/33/04/06/599330406.db2.gz QBCZPCOXKCOBGH-LSDHHAIUSA-N -1 3 381.505 3.408 20 0 GGADHM O=C(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccccc1F ZINC000737894733 599331143 /nfs/dbraw/zinc/33/11/43/599331143.db2.gz JKRHGDUYRVBZJF-UHFFFAOYSA-N -1 3 380.305 3.075 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccccc1F ZINC000737894733 599331145 /nfs/dbraw/zinc/33/11/45/599331145.db2.gz JKRHGDUYRVBZJF-UHFFFAOYSA-N -1 3 380.305 3.075 20 0 GGADHM C[C@H](SCC(=O)NCCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192549 599332697 /nfs/dbraw/zinc/33/26/97/599332697.db2.gz ZVIUIBAKWZRCJH-ZDUSSCGKSA-N -1 3 385.468 3.159 20 0 GGADHM C[C@H](SCC(=O)NCCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192549 599332700 /nfs/dbraw/zinc/33/27/00/599332700.db2.gz ZVIUIBAKWZRCJH-ZDUSSCGKSA-N -1 3 385.468 3.159 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(Br)cc1F ZINC000821736186 607369538 /nfs/dbraw/zinc/36/95/38/607369538.db2.gz FQAHCLVGSDNGDS-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(Br)cc1F ZINC000821736186 607369539 /nfs/dbraw/zinc/36/95/39/607369539.db2.gz FQAHCLVGSDNGDS-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccccc1OC1CCC1 ZINC000737064703 599337723 /nfs/dbraw/zinc/33/77/23/599337723.db2.gz YCTBJOAJYXFKJN-UHFFFAOYSA-N -1 3 394.435 3.128 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccccc1OC1CCC1 ZINC000737064703 599337726 /nfs/dbraw/zinc/33/77/26/599337726.db2.gz YCTBJOAJYXFKJN-UHFFFAOYSA-N -1 3 394.435 3.128 20 0 GGADHM CC(C)n1cc2cc(NC(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000736166923 599341485 /nfs/dbraw/zinc/34/14/85/599341485.db2.gz ATIDKTCXFAPFND-CYBMUJFWSA-N -1 3 391.435 3.203 20 0 GGADHM Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1Cl ZINC000822241167 599345615 /nfs/dbraw/zinc/34/56/15/599345615.db2.gz NCDCJJXLHIEYBD-UHFFFAOYSA-N -1 3 398.275 3.307 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120567 599346279 /nfs/dbraw/zinc/34/62/79/599346279.db2.gz YJJGEMBGYHRELA-CYBMUJFWSA-N -1 3 375.436 3.288 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120567 599346281 /nfs/dbraw/zinc/34/62/81/599346281.db2.gz YJJGEMBGYHRELA-CYBMUJFWSA-N -1 3 375.436 3.288 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCCC2)[nH]n1 ZINC000737932774 599346886 /nfs/dbraw/zinc/34/68/86/599346886.db2.gz POBNFTMGKIYTDJ-UHFFFAOYSA-N -1 3 383.481 3.119 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCCC2)[nH]n1 ZINC000737932774 599346888 /nfs/dbraw/zinc/34/68/88/599346888.db2.gz POBNFTMGKIYTDJ-UHFFFAOYSA-N -1 3 383.481 3.119 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820564093 599347135 /nfs/dbraw/zinc/34/71/35/599347135.db2.gz YDGHTJNAWGCYRX-NSHDSACASA-N -1 3 389.431 3.457 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820564093 599347137 /nfs/dbraw/zinc/34/71/37/599347137.db2.gz YDGHTJNAWGCYRX-NSHDSACASA-N -1 3 389.431 3.457 20 0 GGADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1nc(-c2ccco2)cs1 ZINC000823070667 599350452 /nfs/dbraw/zinc/35/04/52/599350452.db2.gz JMJKWLOGYRXXQQ-UHFFFAOYSA-N -1 3 384.446 3.314 20 0 GGADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccco2)cs1 ZINC000823070667 599350455 /nfs/dbraw/zinc/35/04/55/599350455.db2.gz JMJKWLOGYRXXQQ-UHFFFAOYSA-N -1 3 384.446 3.314 20 0 GGADHM CC(C)C[C@H](O)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735798969 599351368 /nfs/dbraw/zinc/35/13/68/599351368.db2.gz IBSNOVKFYAVIFR-INIZCTEOSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)C[C@H](O)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735798969 599351369 /nfs/dbraw/zinc/35/13/69/599351369.db2.gz IBSNOVKFYAVIFR-INIZCTEOSA-N -1 3 396.451 3.188 20 0 GGADHM COCC(C)(C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736967672 599352171 /nfs/dbraw/zinc/35/21/71/599352171.db2.gz MHYHEJGJXYCREJ-UHFFFAOYSA-N -1 3 382.424 3.206 20 0 GGADHM COCC(C)(C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736967672 599352174 /nfs/dbraw/zinc/35/21/74/599352174.db2.gz MHYHEJGJXYCREJ-UHFFFAOYSA-N -1 3 382.424 3.206 20 0 GGADHM COCCSCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000821694432 599352246 /nfs/dbraw/zinc/35/22/46/599352246.db2.gz MYFNGPDRILDKOP-UHFFFAOYSA-N -1 3 392.529 3.108 20 0 GGADHM COCCSCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000821694432 599352249 /nfs/dbraw/zinc/35/22/49/599352249.db2.gz MYFNGPDRILDKOP-UHFFFAOYSA-N -1 3 392.529 3.108 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000822222425 599352515 /nfs/dbraw/zinc/35/25/15/599352515.db2.gz GKQZLCIROGGMJB-RKVPGOIHSA-N -1 3 397.504 3.130 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000822222425 599352518 /nfs/dbraw/zinc/35/25/18/599352518.db2.gz GKQZLCIROGGMJB-RKVPGOIHSA-N -1 3 397.504 3.130 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(OCC4CC4)CC3)c2c1 ZINC000822195568 599357834 /nfs/dbraw/zinc/35/78/34/599357834.db2.gz WQARFFUYQOJQCL-UHFFFAOYSA-N -1 3 378.480 3.427 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(OCC4CC4)CC3)c2c1 ZINC000822195568 599357838 /nfs/dbraw/zinc/35/78/38/599357838.db2.gz WQARFFUYQOJQCL-UHFFFAOYSA-N -1 3 378.480 3.427 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC2(C1)CCOCC2 ZINC000822773933 599358545 /nfs/dbraw/zinc/35/85/45/599358545.db2.gz BFDIEWIRLMJDIO-UHFFFAOYSA-N -1 3 388.834 3.214 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC2(C1)CCOCC2 ZINC000822773933 599358548 /nfs/dbraw/zinc/35/85/48/599358548.db2.gz BFDIEWIRLMJDIO-UHFFFAOYSA-N -1 3 388.834 3.214 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233135 599365226 /nfs/dbraw/zinc/36/52/26/599365226.db2.gz IRHNQCHDZDVKNK-RBUKOAKNSA-N -1 3 397.504 3.132 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233135 599365229 /nfs/dbraw/zinc/36/52/29/599365229.db2.gz IRHNQCHDZDVKNK-RBUKOAKNSA-N -1 3 397.504 3.132 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)COc2cccc(Cl)c2C)s1 ZINC000736678686 599372380 /nfs/dbraw/zinc/37/23/80/599372380.db2.gz DYXOICSLGRGQQD-UHFFFAOYSA-N -1 3 377.857 3.470 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)COc2cccc(Cl)c2C)s1 ZINC000736678686 599372383 /nfs/dbraw/zinc/37/23/83/599372383.db2.gz DYXOICSLGRGQQD-UHFFFAOYSA-N -1 3 377.857 3.470 20 0 GGADHM Cc1noc(COc2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822528166 599378812 /nfs/dbraw/zinc/37/88/12/599378812.db2.gz VRPYIYOLOPMDJI-GFCCVEGCSA-N -1 3 377.408 3.310 20 0 GGADHM Cc1noc(COc2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822528166 599378818 /nfs/dbraw/zinc/37/88/18/599378818.db2.gz VRPYIYOLOPMDJI-GFCCVEGCSA-N -1 3 377.408 3.310 20 0 GGADHM CCSCc1cccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000821460980 599380909 /nfs/dbraw/zinc/38/09/09/599380909.db2.gz HVAOQKXRCYJKMZ-SFHVURJKSA-N -1 3 394.504 3.337 20 0 GGADHM CCSCc1cccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000821460980 599380913 /nfs/dbraw/zinc/38/09/13/599380913.db2.gz HVAOQKXRCYJKMZ-SFHVURJKSA-N -1 3 394.504 3.337 20 0 GGADHM CSCC[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737175175 599381912 /nfs/dbraw/zinc/38/19/12/599381912.db2.gz CEESXPATTDUKTR-ZDUSSCGKSA-N -1 3 398.492 3.268 20 0 GGADHM CSCC[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737175175 599381914 /nfs/dbraw/zinc/38/19/14/599381914.db2.gz CEESXPATTDUKTR-ZDUSSCGKSA-N -1 3 398.492 3.268 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000821700784 599382172 /nfs/dbraw/zinc/38/21/72/599382172.db2.gz XUOMNPJRZLZWBZ-INIZCTEOSA-N -1 3 399.838 3.103 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000821700784 599382175 /nfs/dbraw/zinc/38/21/75/599382175.db2.gz XUOMNPJRZLZWBZ-INIZCTEOSA-N -1 3 399.838 3.103 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000735874508 599383784 /nfs/dbraw/zinc/38/37/84/599383784.db2.gz QBQMTVPSRZPNOW-UHFFFAOYSA-N -1 3 387.447 3.308 20 0 GGADHM Cc1sc(NC(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(C)c1C ZINC000822562652 599384727 /nfs/dbraw/zinc/38/47/27/599384727.db2.gz CLARVTVLIQAHBV-UHFFFAOYSA-N -1 3 393.476 3.356 20 0 GGADHM Cc1sc(NC(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c(C)c1C ZINC000822562652 599384730 /nfs/dbraw/zinc/38/47/30/599384730.db2.gz CLARVTVLIQAHBV-UHFFFAOYSA-N -1 3 393.476 3.356 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Nc3ccncc3-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000737287353 599386160 /nfs/dbraw/zinc/38/61/60/599386160.db2.gz DURXSWKJHRFGFB-UHFFFAOYSA-N -1 3 397.398 3.053 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Nc3ccncc3-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000737287353 599386162 /nfs/dbraw/zinc/38/61/62/599386162.db2.gz DURXSWKJHRFGFB-UHFFFAOYSA-N -1 3 397.398 3.053 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N1c2ccccc2CC[C@H]1C ZINC000822129586 599389305 /nfs/dbraw/zinc/38/93/05/599389305.db2.gz MFJZMUIXHQDEOF-OAHLLOKOSA-N -1 3 377.448 3.230 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N(C)[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820173900 607372329 /nfs/dbraw/zinc/37/23/29/607372329.db2.gz MYMYUSFSSUYYET-OAHLLOKOSA-N -1 3 394.479 3.285 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N(C)[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820173900 607372331 /nfs/dbraw/zinc/37/23/31/607372331.db2.gz MYMYUSFSSUYYET-OAHLLOKOSA-N -1 3 394.479 3.285 20 0 GGADHM COc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737091575 599395710 /nfs/dbraw/zinc/39/57/10/599395710.db2.gz WGXMXLJOUSOBBY-UHFFFAOYSA-N -1 3 376.420 3.069 20 0 GGADHM COc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737091575 599395714 /nfs/dbraw/zinc/39/57/14/599395714.db2.gz WGXMXLJOUSOBBY-UHFFFAOYSA-N -1 3 376.420 3.069 20 0 GGADHM CC(C)Oc1ccc(NCc2noc(-c3cccs3)n2)cc1-c1nnn[n-]1 ZINC000820174724 607372994 /nfs/dbraw/zinc/37/29/94/607372994.db2.gz WXLVRQRUPAWKEV-UHFFFAOYSA-N -1 3 383.437 3.378 20 0 GGADHM CC(C)Oc1ccc(NCc2noc(-c3cccs3)n2)cc1-c1nn[n-]n1 ZINC000820174724 607372996 /nfs/dbraw/zinc/37/29/96/607372996.db2.gz WXLVRQRUPAWKEV-UHFFFAOYSA-N -1 3 383.437 3.378 20 0 GGADHM Cc1ccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1F ZINC000822242497 607373237 /nfs/dbraw/zinc/37/32/37/607373237.db2.gz MWLKNLDLVYPCED-UHFFFAOYSA-N -1 3 384.415 3.152 20 0 GGADHM Cc1ccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1F ZINC000822242497 607373238 /nfs/dbraw/zinc/37/32/38/607373238.db2.gz MWLKNLDLVYPCED-UHFFFAOYSA-N -1 3 384.415 3.152 20 0 GGADHM O=C(Nc1ccccc1)C1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000738192516 599399114 /nfs/dbraw/zinc/39/91/14/599399114.db2.gz SHHHNGPMALSNLS-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM O=C(Nc1ccccc1)C1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000738192516 599399117 /nfs/dbraw/zinc/39/91/17/599399117.db2.gz SHHHNGPMALSNLS-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372530 599399239 /nfs/dbraw/zinc/39/92/39/599399239.db2.gz AGLAGQVTUBGLBV-LLVKDONJSA-N -1 3 390.369 3.446 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372530 599399240 /nfs/dbraw/zinc/39/92/40/599399240.db2.gz AGLAGQVTUBGLBV-LLVKDONJSA-N -1 3 390.369 3.446 20 0 GGADHM COc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821777393 599402213 /nfs/dbraw/zinc/40/22/13/599402213.db2.gz DXDZSWCSMLNEIA-ORAYPTAESA-N -1 3 392.463 3.387 20 0 GGADHM COc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821777393 599402214 /nfs/dbraw/zinc/40/22/14/599402214.db2.gz DXDZSWCSMLNEIA-ORAYPTAESA-N -1 3 392.463 3.387 20 0 GGADHM Clc1ccc2nc(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)cn2c1 ZINC000737573993 599403164 /nfs/dbraw/zinc/40/31/64/599403164.db2.gz NRPPXHOSDPYKHN-UHFFFAOYSA-N -1 3 376.811 3.328 20 0 GGADHM Clc1ccc2nc(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)cn2c1 ZINC000737573993 599403165 /nfs/dbraw/zinc/40/31/65/599403165.db2.gz NRPPXHOSDPYKHN-UHFFFAOYSA-N -1 3 376.811 3.328 20 0 GGADHM C[C@@H](NC(=O)NCCCO[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365922 599403778 /nfs/dbraw/zinc/40/37/78/599403778.db2.gz LRRLWBDJPMCUMT-CVEARBPZSA-N -1 3 394.479 3.395 20 0 GGADHM C[C@@H](NC(=O)NCCCO[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365922 599403780 /nfs/dbraw/zinc/40/37/80/599403780.db2.gz LRRLWBDJPMCUMT-CVEARBPZSA-N -1 3 394.479 3.395 20 0 GGADHM CN(Cc1ccc(Br)o1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736816691 599407057 /nfs/dbraw/zinc/40/70/57/599407057.db2.gz NVGTWAKPMNFPKH-UHFFFAOYSA-N -1 3 385.225 3.407 20 0 GGADHM CN(Cc1ccc(Br)o1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736816691 599407058 /nfs/dbraw/zinc/40/70/58/599407058.db2.gz NVGTWAKPMNFPKH-UHFFFAOYSA-N -1 3 385.225 3.407 20 0 GGADHM CCc1oc(C(=O)OC)cc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821564122 607374396 /nfs/dbraw/zinc/37/43/96/607374396.db2.gz UQZXVTIEUKUXMX-UHFFFAOYSA-N -1 3 385.424 3.208 20 0 GGADHM CCc1oc(C(=O)OC)cc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821564122 607374397 /nfs/dbraw/zinc/37/43/97/607374397.db2.gz UQZXVTIEUKUXMX-UHFFFAOYSA-N -1 3 385.424 3.208 20 0 GGADHM FC(F)(F)COc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000737627874 599410658 /nfs/dbraw/zinc/41/06/58/599410658.db2.gz QYEOMFCBOZROTP-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM FC(F)(F)COc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000737627874 599410660 /nfs/dbraw/zinc/41/06/60/599410660.db2.gz QYEOMFCBOZROTP-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM C[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820742692 599411146 /nfs/dbraw/zinc/41/11/46/599411146.db2.gz MBCNNNOTCHTEEJ-KXBFYZLASA-N -1 3 376.464 3.202 20 0 GGADHM C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820742692 599411147 /nfs/dbraw/zinc/41/11/47/599411147.db2.gz MBCNNNOTCHTEEJ-KXBFYZLASA-N -1 3 376.464 3.202 20 0 GGADHM CCCn1ccc2ccc(NC(=O)COc3ccccc3-c3nnn[n-]3)cc21 ZINC000821149419 599412469 /nfs/dbraw/zinc/41/24/69/599412469.db2.gz YAMQQUNZTHPCAP-UHFFFAOYSA-N -1 3 376.420 3.249 20 0 GGADHM CCCn1ccc2ccc(NC(=O)COc3ccccc3-c3nn[n-]n3)cc21 ZINC000821149419 599412472 /nfs/dbraw/zinc/41/24/72/599412472.db2.gz YAMQQUNZTHPCAP-UHFFFAOYSA-N -1 3 376.420 3.249 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821777739 599412563 /nfs/dbraw/zinc/41/25/63/599412563.db2.gz MDCWEGBWJYUEPU-CHWSQXEVSA-N -1 3 396.451 3.005 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821777739 599412566 /nfs/dbraw/zinc/41/25/66/599412566.db2.gz MDCWEGBWJYUEPU-CHWSQXEVSA-N -1 3 396.451 3.005 20 0 GGADHM CC(C)Oc1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820155379 599416191 /nfs/dbraw/zinc/41/61/91/599416191.db2.gz PGNVSZMBUOWSAM-ZDUSSCGKSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)Oc1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820155379 599416193 /nfs/dbraw/zinc/41/61/93/599416193.db2.gz PGNVSZMBUOWSAM-ZDUSSCGKSA-N -1 3 398.442 3.353 20 0 GGADHM C[C@H](NC(=O)NCc1ncc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375017 599420230 /nfs/dbraw/zinc/42/02/30/599420230.db2.gz WBINLHHUSRUMEV-ZDUSSCGKSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@H](NC(=O)NCc1ncc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375017 599420231 /nfs/dbraw/zinc/42/02/31/599420231.db2.gz WBINLHHUSRUMEV-ZDUSSCGKSA-N -1 3 389.419 3.082 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822293704 599423279 /nfs/dbraw/zinc/42/32/79/599423279.db2.gz ITEMBFQHKVLCFK-HZPDHXFCSA-N -1 3 394.479 3.311 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822293704 599423281 /nfs/dbraw/zinc/42/32/81/599423281.db2.gz ITEMBFQHKVLCFK-HZPDHXFCSA-N -1 3 394.479 3.311 20 0 GGADHM Cc1cccc(OC[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822328816 599423558 /nfs/dbraw/zinc/42/35/58/599423558.db2.gz UHERNLRTCOEEGT-HUUCEWRRSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1cccc(OC[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822328816 599423560 /nfs/dbraw/zinc/42/35/60/599423560.db2.gz UHERNLRTCOEEGT-HUUCEWRRSA-N -1 3 380.452 3.003 20 0 GGADHM COc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000821803627 599425583 /nfs/dbraw/zinc/42/55/83/599425583.db2.gz GMFZLFLNYGFKLT-FQEVSTJZSA-N -1 3 390.422 3.289 20 0 GGADHM COc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000821803627 599425585 /nfs/dbraw/zinc/42/55/85/599425585.db2.gz GMFZLFLNYGFKLT-FQEVSTJZSA-N -1 3 390.422 3.289 20 0 GGADHM O=C(NCc1cccc2ccccc21)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823238494 599425950 /nfs/dbraw/zinc/42/59/50/599425950.db2.gz ODCKRCDRRKZOAZ-UHFFFAOYSA-N -1 3 376.395 3.158 20 0 GGADHM O=C(NCc1cccc2ccccc21)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823238494 599425952 /nfs/dbraw/zinc/42/59/52/599425952.db2.gz ODCKRCDRRKZOAZ-UHFFFAOYSA-N -1 3 376.395 3.158 20 0 GGADHM Cc1ccc(OC[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822263303 599426322 /nfs/dbraw/zinc/42/63/22/599426322.db2.gz LBNXKCQNPMLAID-LSDHHAIUSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccc(OC[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822263303 599426325 /nfs/dbraw/zinc/42/63/25/599426325.db2.gz LBNXKCQNPMLAID-LSDHHAIUSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccc(C=CS(=O)(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000822234005 607377150 /nfs/dbraw/zinc/37/71/50/607377150.db2.gz ZMYLLBLZEDCQDA-ZHACJKMWSA-N -1 3 399.476 3.375 20 0 GGADHM Cc1ccc(C=CS(=O)(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000822234005 607377152 /nfs/dbraw/zinc/37/71/52/607377152.db2.gz ZMYLLBLZEDCQDA-ZHACJKMWSA-N -1 3 399.476 3.375 20 0 GGADHM COC(=O)c1ccc2nc(SCc3cc(-c4nn[n-]n4)ccc3OC)oc2c1 ZINC000821670000 607378422 /nfs/dbraw/zinc/37/84/22/607378422.db2.gz IFGQHACRARYRIA-UHFFFAOYSA-N -1 3 397.416 3.095 20 0 GGADHM C[C@@H](NC(=O)NC1CC(C)(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357314 599436718 /nfs/dbraw/zinc/43/67/18/599436718.db2.gz FYJDLVBYZQYRML-ZPTDFLPOSA-N -1 3 376.464 3.347 20 0 GGADHM C[C@@H](NC(=O)NC1CC(C)(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357314 599436723 /nfs/dbraw/zinc/43/67/23/599436723.db2.gz FYJDLVBYZQYRML-ZPTDFLPOSA-N -1 3 376.464 3.347 20 0 GGADHM C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820357532 599441243 /nfs/dbraw/zinc/44/12/43/599441243.db2.gz HNUASHOQYFKQMC-IAOVAPTHSA-N -1 3 386.500 3.068 20 0 GGADHM C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820357532 599441245 /nfs/dbraw/zinc/44/12/45/599441245.db2.gz HNUASHOQYFKQMC-IAOVAPTHSA-N -1 3 386.500 3.068 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820359767 599441946 /nfs/dbraw/zinc/44/19/46/599441946.db2.gz VGWORWQQKVDFRN-OWRWGESLSA-N -1 3 384.390 3.061 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820359767 599441947 /nfs/dbraw/zinc/44/19/47/599441947.db2.gz VGWORWQQKVDFRN-OWRWGESLSA-N -1 3 384.390 3.061 20 0 GGADHM C[C@H](NC(=O)NC[C@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365892 599442273 /nfs/dbraw/zinc/44/22/73/599442273.db2.gz LIYJYJMYLBGVMM-GJZGRUSLSA-N -1 3 376.464 3.032 20 0 GGADHM C[C@H](NC(=O)NC[C@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365892 599442275 /nfs/dbraw/zinc/44/22/75/599442275.db2.gz LIYJYJMYLBGVMM-GJZGRUSLSA-N -1 3 376.464 3.032 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820642571 607379420 /nfs/dbraw/zinc/37/94/20/607379420.db2.gz KHALTNHGFKFGKO-VFNWGFHPSA-N -1 3 398.470 3.414 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820642571 607379422 /nfs/dbraw/zinc/37/94/22/607379422.db2.gz KHALTNHGFKFGKO-VFNWGFHPSA-N -1 3 398.470 3.414 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821778320 599448658 /nfs/dbraw/zinc/44/86/58/599448658.db2.gz YGABJDGKUGOLJV-CYBMUJFWSA-N -1 3 398.442 3.007 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821778320 599448660 /nfs/dbraw/zinc/44/86/60/599448660.db2.gz YGABJDGKUGOLJV-CYBMUJFWSA-N -1 3 398.442 3.007 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778157 599448680 /nfs/dbraw/zinc/44/86/80/599448680.db2.gz VRPRLSBZUQODOQ-OAHLLOKOSA-N -1 3 394.479 3.211 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778157 599448682 /nfs/dbraw/zinc/44/86/82/599448682.db2.gz VRPRLSBZUQODOQ-OAHLLOKOSA-N -1 3 394.479 3.211 20 0 GGADHM COC(C)(C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821672641 599450577 /nfs/dbraw/zinc/45/05/77/599450577.db2.gz RZHUEDKNNSIVJM-HNNXBMFYSA-N -1 3 388.516 3.238 20 0 GGADHM COC(C)(C)C[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821672641 599450579 /nfs/dbraw/zinc/45/05/79/599450579.db2.gz RZHUEDKNNSIVJM-HNNXBMFYSA-N -1 3 388.516 3.238 20 0 GGADHM CCC(CC)c1cc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000820897693 599450676 /nfs/dbraw/zinc/45/06/76/599450676.db2.gz LYHQSEKUAYSFSK-GFCCVEGCSA-N -1 3 383.456 3.319 20 0 GGADHM CCC(CC)c1cc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000820897693 599450679 /nfs/dbraw/zinc/45/06/79/599450679.db2.gz LYHQSEKUAYSFSK-GFCCVEGCSA-N -1 3 383.456 3.319 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000737297588 599450812 /nfs/dbraw/zinc/45/08/12/599450812.db2.gz CVWCLUKGKOMFMG-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000737297588 599450815 /nfs/dbraw/zinc/45/08/15/599450815.db2.gz CVWCLUKGKOMFMG-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM CC1(C)CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000820601264 599453647 /nfs/dbraw/zinc/45/36/47/599453647.db2.gz GQYPZKCPUINVDI-SFHVURJKSA-N -1 3 392.463 3.038 20 0 GGADHM CCCC[C@H](COC)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736436276 599455691 /nfs/dbraw/zinc/45/56/91/599455691.db2.gz CHZBNGIWQLSYSU-GOSISDBHSA-N -1 3 388.516 3.240 20 0 GGADHM CCCC[C@H](COC)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736436276 599455694 /nfs/dbraw/zinc/45/56/94/599455694.db2.gz CHZBNGIWQLSYSU-GOSISDBHSA-N -1 3 388.516 3.240 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CNCc1csc(COc2ccccc2)n1 ZINC000822761700 599456771 /nfs/dbraw/zinc/45/67/71/599456771.db2.gz REEDWDSZGFOQLC-UHFFFAOYSA-N -1 3 396.451 3.331 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1csc(COc2ccccc2)n1 ZINC000822761700 599456773 /nfs/dbraw/zinc/45/67/73/599456773.db2.gz REEDWDSZGFOQLC-UHFFFAOYSA-N -1 3 396.451 3.331 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000822761203 599456962 /nfs/dbraw/zinc/45/69/62/599456962.db2.gz BZAMNWJPOYIEPN-UHFFFAOYSA-N -1 3 383.818 3.135 20 0 GGADHM CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820870134 599457804 /nfs/dbraw/zinc/45/78/04/599457804.db2.gz NLROEXYZXHSHHG-HUUCEWRRSA-N -1 3 386.500 3.244 20 0 GGADHM CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820869532 599457885 /nfs/dbraw/zinc/45/78/85/599457885.db2.gz HLANTBCHWBJANT-CABCVRRESA-N -1 3 386.500 3.244 20 0 GGADHM CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820869532 599457886 /nfs/dbraw/zinc/45/78/86/599457886.db2.gz HLANTBCHWBJANT-CABCVRRESA-N -1 3 386.500 3.244 20 0 GGADHM CSc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000821984752 599460390 /nfs/dbraw/zinc/46/03/90/599460390.db2.gz SHPKXURWAOCTGL-UHFFFAOYSA-N -1 3 396.520 3.162 20 0 GGADHM CSc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000821984752 599460392 /nfs/dbraw/zinc/46/03/92/599460392.db2.gz SHPKXURWAOCTGL-UHFFFAOYSA-N -1 3 396.520 3.162 20 0 GGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820664761 599460738 /nfs/dbraw/zinc/46/07/38/599460738.db2.gz BTQOVXPHKBDLNY-BLLLJJGKSA-N -1 3 398.417 3.233 20 0 GGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820664761 599460739 /nfs/dbraw/zinc/46/07/39/599460739.db2.gz BTQOVXPHKBDLNY-BLLLJJGKSA-N -1 3 398.417 3.233 20 0 GGADHM CN(CCc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821605055 599461549 /nfs/dbraw/zinc/46/15/49/599461549.db2.gz SHCCVRSCPZBCMD-UHFFFAOYSA-N -1 3 388.834 3.043 20 0 GGADHM CN(CCc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821605055 599461550 /nfs/dbraw/zinc/46/15/50/599461550.db2.gz SHCCVRSCPZBCMD-UHFFFAOYSA-N -1 3 388.834 3.043 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000823235827 599462396 /nfs/dbraw/zinc/46/23/96/599462396.db2.gz YNGJOJAADKHOLK-KRWDZBQOSA-N -1 3 384.390 3.192 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000823235827 599462399 /nfs/dbraw/zinc/46/23/99/599462399.db2.gz YNGJOJAADKHOLK-KRWDZBQOSA-N -1 3 384.390 3.192 20 0 GGADHM CN(Cc1ccc(F)cc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821610738 599463432 /nfs/dbraw/zinc/46/34/32/599463432.db2.gz CFSVUAXCBPZROK-UHFFFAOYSA-N -1 3 392.797 3.140 20 0 GGADHM CN(Cc1ccc(F)cc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821610738 599463433 /nfs/dbraw/zinc/46/34/33/599463433.db2.gz CFSVUAXCBPZROK-UHFFFAOYSA-N -1 3 392.797 3.140 20 0 GGADHM COc1ccc(CNc2cccc(CC(=O)OC(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821719 599463504 /nfs/dbraw/zinc/46/35/04/599463504.db2.gz SNQVFOZQPPFKBR-UHFFFAOYSA-N -1 3 395.463 3.372 20 0 GGADHM COc1ccc(CNc2cccc(CC(=O)OC(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821719 599463505 /nfs/dbraw/zinc/46/35/05/599463505.db2.gz SNQVFOZQPPFKBR-UHFFFAOYSA-N -1 3 395.463 3.372 20 0 GGADHM Fc1ccc(C[C@H]2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000737648459 599464099 /nfs/dbraw/zinc/46/40/99/599464099.db2.gz JPGOVCPWMXLJKB-CQSZACIVSA-N -1 3 382.468 3.267 20 0 GGADHM Fc1ccc(C[C@H]2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000737648459 599464100 /nfs/dbraw/zinc/46/41/00/599464100.db2.gz JPGOVCPWMXLJKB-CQSZACIVSA-N -1 3 382.468 3.267 20 0 GGADHM C[C@H]1CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC[C@H]1c1ccccc1 ZINC000820733380 599465348 /nfs/dbraw/zinc/46/53/48/599465348.db2.gz FSQQOYQECHSPQI-KBXCAEBGSA-N -1 3 394.454 3.341 20 0 GGADHM C[C@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC[C@H]1c1ccccc1 ZINC000820733380 599465350 /nfs/dbraw/zinc/46/53/50/599465350.db2.gz FSQQOYQECHSPQI-KBXCAEBGSA-N -1 3 394.454 3.341 20 0 GGADHM COc1ccc(C)cc1CN1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000821782849 599465393 /nfs/dbraw/zinc/46/53/93/599465393.db2.gz PXQLDQYZZAJSHS-UHFFFAOYSA-N -1 3 398.898 3.159 20 0 GGADHM COc1ccc(C)cc1CN1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000821782849 599465395 /nfs/dbraw/zinc/46/53/95/599465395.db2.gz PXQLDQYZZAJSHS-UHFFFAOYSA-N -1 3 398.898 3.159 20 0 GGADHM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821596467 599466129 /nfs/dbraw/zinc/46/61/29/599466129.db2.gz KZTADEQUCXITGH-UHFFFAOYSA-N -1 3 398.486 3.364 20 0 GGADHM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821596467 599466132 /nfs/dbraw/zinc/46/61/32/599466132.db2.gz KZTADEQUCXITGH-UHFFFAOYSA-N -1 3 398.486 3.364 20 0 GGADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1sccc1-c1nnn[n-]1 ZINC000738173829 599466731 /nfs/dbraw/zinc/46/67/31/599466731.db2.gz SNHMZBLRMAPJJJ-UHFFFAOYSA-N -1 3 392.444 3.197 20 0 GGADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1sccc1-c1nn[n-]n1 ZINC000738173829 599466733 /nfs/dbraw/zinc/46/67/33/599466733.db2.gz SNHMZBLRMAPJJJ-UHFFFAOYSA-N -1 3 392.444 3.197 20 0 GGADHM CC(C)[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735723373 599467983 /nfs/dbraw/zinc/46/79/83/599467983.db2.gz XRKUXFDSLLDBHI-SFHVURJKSA-N -1 3 382.493 3.008 20 0 GGADHM CC(C)[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735723373 599467987 /nfs/dbraw/zinc/46/79/87/599467987.db2.gz XRKUXFDSLLDBHI-SFHVURJKSA-N -1 3 382.493 3.008 20 0 GGADHM CO[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000821677103 599468903 /nfs/dbraw/zinc/46/89/03/599468903.db2.gz OPILIHBJQWOODC-INIZCTEOSA-N -1 3 382.374 3.493 20 0 GGADHM CO[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000821677103 599468906 /nfs/dbraw/zinc/46/89/06/599468906.db2.gz OPILIHBJQWOODC-INIZCTEOSA-N -1 3 382.374 3.493 20 0 GGADHM CC(C)c1noc(-c2ccnc(N(C)Cc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000820211308 599470930 /nfs/dbraw/zinc/47/09/30/599470930.db2.gz HUVSZHGKDOAIQW-UHFFFAOYSA-N -1 3 376.424 3.072 20 0 GGADHM CC(C)c1noc(-c2ccnc(N(C)Cc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000820211308 599470931 /nfs/dbraw/zinc/47/09/31/599470931.db2.gz HUVSZHGKDOAIQW-UHFFFAOYSA-N -1 3 376.424 3.072 20 0 GGADHM C[C@H](NC(=O)NCCc1c[nH]c2ccc(F)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820366989 599471667 /nfs/dbraw/zinc/47/16/67/599471667.db2.gz QYTJIKRTIYFMBJ-LBPRGKRZSA-N -1 3 393.426 3.090 20 0 GGADHM C[C@H](NC(=O)NCCc1c[nH]c2ccc(F)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820366989 599471670 /nfs/dbraw/zinc/47/16/70/599471670.db2.gz QYTJIKRTIYFMBJ-LBPRGKRZSA-N -1 3 393.426 3.090 20 0 GGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822341381 599472117 /nfs/dbraw/zinc/47/21/17/599472117.db2.gz WOWWBPMVXGDNIZ-GUYCJALGSA-N -1 3 378.436 3.059 20 0 GGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822341381 599472120 /nfs/dbraw/zinc/47/21/20/599472120.db2.gz WOWWBPMVXGDNIZ-GUYCJALGSA-N -1 3 378.436 3.059 20 0 GGADHM Brc1cc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cs1 ZINC000819688109 599473740 /nfs/dbraw/zinc/47/37/40/599473740.db2.gz DETIIYCACOVJPD-UHFFFAOYSA-N -1 3 387.266 3.273 20 0 GGADHM Brc1cc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cs1 ZINC000819688109 599473741 /nfs/dbraw/zinc/47/37/41/599473741.db2.gz DETIIYCACOVJPD-UHFFFAOYSA-N -1 3 387.266 3.273 20 0 GGADHM C[C@@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340278 599475624 /nfs/dbraw/zinc/47/56/24/599475624.db2.gz JMZJZCXPOPQMDR-CQSZACIVSA-N -1 3 384.484 3.061 20 0 GGADHM C[C@@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340278 599475626 /nfs/dbraw/zinc/47/56/26/599475626.db2.gz JMZJZCXPOPQMDR-CQSZACIVSA-N -1 3 384.484 3.061 20 0 GGADHM C[C@H](NC(=O)N(C)CCCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342922 599475809 /nfs/dbraw/zinc/47/58/09/599475809.db2.gz YRASKJAEHSKXFY-AWEZNQCLSA-N -1 3 398.442 3.177 20 0 GGADHM C[C@H](NC(=O)N(C)CCCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342922 599475811 /nfs/dbraw/zinc/47/58/11/599475811.db2.gz YRASKJAEHSKXFY-AWEZNQCLSA-N -1 3 398.442 3.177 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820706297 599476030 /nfs/dbraw/zinc/47/60/30/599476030.db2.gz YLNJFNFZDGFAAY-XHDPSFHLSA-N -1 3 388.422 3.122 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820706297 599476033 /nfs/dbraw/zinc/47/60/33/599476033.db2.gz YLNJFNFZDGFAAY-XHDPSFHLSA-N -1 3 388.422 3.122 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357544 599478662 /nfs/dbraw/zinc/47/86/62/599478662.db2.gz HNYODEUYNSLUNR-MGPUTAFESA-N -1 3 399.458 3.412 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357544 599478665 /nfs/dbraw/zinc/47/86/65/599478665.db2.gz HNYODEUYNSLUNR-MGPUTAFESA-N -1 3 399.458 3.412 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821849632 599479573 /nfs/dbraw/zinc/47/95/73/599479573.db2.gz NYTVKQYNGKUSKK-DJJJIMSYSA-N -1 3 392.463 3.313 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821849632 599479575 /nfs/dbraw/zinc/47/95/75/599479575.db2.gz NYTVKQYNGKUSKK-DJJJIMSYSA-N -1 3 392.463 3.313 20 0 GGADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340685 599480311 /nfs/dbraw/zinc/48/03/11/599480311.db2.gz MVIVYKRGDVQNQQ-GOEBONIOSA-N -1 3 394.454 3.341 20 0 GGADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340685 599480313 /nfs/dbraw/zinc/48/03/13/599480313.db2.gz MVIVYKRGDVQNQQ-GOEBONIOSA-N -1 3 394.454 3.341 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351488 599480804 /nfs/dbraw/zinc/48/08/04/599480804.db2.gz PTXVICUDURBCKN-LIRRHRJNSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351488 599480806 /nfs/dbraw/zinc/48/08/06/599480806.db2.gz PTXVICUDURBCKN-LIRRHRJNSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820225372 607381194 /nfs/dbraw/zinc/38/11/94/607381194.db2.gz HPMRITXQHNFNSV-HNNXBMFYSA-N -1 3 391.479 3.296 20 0 GGADHM CCOc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821417547 599484377 /nfs/dbraw/zinc/48/43/77/599484377.db2.gz OIAPEXLFSDLFNP-AWEZNQCLSA-N -1 3 380.452 3.168 20 0 GGADHM CCOc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821417547 599484381 /nfs/dbraw/zinc/48/43/81/599484381.db2.gz OIAPEXLFSDLFNP-AWEZNQCLSA-N -1 3 380.452 3.168 20 0 GGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NCc1ccc(OC2CCCC2)nc1 ZINC000823796803 599484785 /nfs/dbraw/zinc/48/47/85/599484785.db2.gz HISQESZDKFPXAE-UHFFFAOYSA-N -1 3 387.447 3.165 20 0 GGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NCc1ccc(OC2CCCC2)nc1 ZINC000823796803 599484786 /nfs/dbraw/zinc/48/47/86/599484786.db2.gz HISQESZDKFPXAE-UHFFFAOYSA-N -1 3 387.447 3.165 20 0 GGADHM CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821221520 599486457 /nfs/dbraw/zinc/48/64/57/599486457.db2.gz JPAWVXSXWNSVPQ-CQSZACIVSA-N -1 3 380.452 3.168 20 0 GGADHM CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821221520 599486458 /nfs/dbraw/zinc/48/64/58/599486458.db2.gz JPAWVXSXWNSVPQ-CQSZACIVSA-N -1 3 380.452 3.168 20 0 GGADHM COc1ccc(CCCN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790440 599486751 /nfs/dbraw/zinc/48/67/51/599486751.db2.gz NSUFGKWRBBIVSX-HNNXBMFYSA-N -1 3 394.479 3.211 20 0 GGADHM COc1ccc(CCCN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790440 599486752 /nfs/dbraw/zinc/48/67/52/599486752.db2.gz NSUFGKWRBBIVSX-HNNXBMFYSA-N -1 3 394.479 3.211 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000736815353 599492823 /nfs/dbraw/zinc/49/28/23/599492823.db2.gz YCGZCEXDCWPJSD-LJQANCHMSA-N -1 3 376.464 3.029 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000736815353 599492826 /nfs/dbraw/zinc/49/28/26/599492826.db2.gz YCGZCEXDCWPJSD-LJQANCHMSA-N -1 3 376.464 3.029 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000820151821 599493982 /nfs/dbraw/zinc/49/39/82/599493982.db2.gz NPNPUIQIHXBNKQ-JTSKRJEESA-N -1 3 389.459 3.497 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000820151821 599493983 /nfs/dbraw/zinc/49/39/83/599493983.db2.gz NPNPUIQIHXBNKQ-JTSKRJEESA-N -1 3 389.459 3.497 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821401249 599494833 /nfs/dbraw/zinc/49/48/33/599494833.db2.gz TVSDZLXCUMEMGS-JTSKRJEESA-N -1 3 389.459 3.498 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821401249 599494834 /nfs/dbraw/zinc/49/48/34/599494834.db2.gz TVSDZLXCUMEMGS-JTSKRJEESA-N -1 3 389.459 3.498 20 0 GGADHM CCO[C@H](C)c1nc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000736614629 599495972 /nfs/dbraw/zinc/49/59/72/599495972.db2.gz HUSDZCSSNOATMU-IDVQTMNDSA-N -1 3 385.449 3.177 20 0 GGADHM CCO[C@H](C)c1nc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000736614629 599495974 /nfs/dbraw/zinc/49/59/74/599495974.db2.gz HUSDZCSSNOATMU-IDVQTMNDSA-N -1 3 385.449 3.177 20 0 GGADHM Cc1cccc(COC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737397026 599497198 /nfs/dbraw/zinc/49/71/98/599497198.db2.gz RDONEGGGQXSPRP-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1cccc(COC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737397026 599497201 /nfs/dbraw/zinc/49/72/01/599497201.db2.gz RDONEGGGQXSPRP-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(-n4ccnc4)cc3)c2c1 ZINC000822196718 599497712 /nfs/dbraw/zinc/49/77/12/599497712.db2.gz UMTGNUJUFYRGIG-UHFFFAOYSA-N -1 3 396.458 3.251 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(-n4ccnc4)cc3)c2c1 ZINC000822196718 599497713 /nfs/dbraw/zinc/49/77/13/599497713.db2.gz UMTGNUJUFYRGIG-UHFFFAOYSA-N -1 3 396.458 3.251 20 0 GGADHM O=C(CCc1cc(Cl)cs1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737851021 599500065 /nfs/dbraw/zinc/50/00/65/599500065.db2.gz DBSQMRDTSABBFB-UHFFFAOYSA-N -1 3 378.841 3.136 20 0 GGADHM O=C(CCc1cc(Cl)cs1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737851021 599500067 /nfs/dbraw/zinc/50/00/67/599500067.db2.gz DBSQMRDTSABBFB-UHFFFAOYSA-N -1 3 378.841 3.136 20 0 GGADHM CN(C)c1ccc(Cl)cc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736820867 599503351 /nfs/dbraw/zinc/50/33/51/599503351.db2.gz RCEICLNWMKLPIL-UHFFFAOYSA-N -1 3 385.859 3.250 20 0 GGADHM CN(C)c1ccc(Cl)cc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736820867 599503354 /nfs/dbraw/zinc/50/33/54/599503354.db2.gz RCEICLNWMKLPIL-UHFFFAOYSA-N -1 3 385.859 3.250 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000736482221 599503805 /nfs/dbraw/zinc/50/38/05/599503805.db2.gz YBIWMAKVRYBOKO-UHFFFAOYSA-N -1 3 390.451 3.496 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000736482221 599503808 /nfs/dbraw/zinc/50/38/08/599503808.db2.gz YBIWMAKVRYBOKO-UHFFFAOYSA-N -1 3 390.451 3.496 20 0 GGADHM Fc1cc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)ccc1Br ZINC000822748210 599504605 /nfs/dbraw/zinc/50/46/05/599504605.db2.gz NKWXCSQMMYVCIO-UHFFFAOYSA-N -1 3 399.227 3.351 20 0 GGADHM Fc1cc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)ccc1Br ZINC000822748210 599504607 /nfs/dbraw/zinc/50/46/07/599504607.db2.gz NKWXCSQMMYVCIO-UHFFFAOYSA-N -1 3 399.227 3.351 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821845581 599508249 /nfs/dbraw/zinc/50/82/49/599508249.db2.gz IAVTXDACDKSLMD-CHWSQXEVSA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821845581 599508251 /nfs/dbraw/zinc/50/82/51/599508251.db2.gz IAVTXDACDKSLMD-CHWSQXEVSA-N -1 3 383.477 3.233 20 0 GGADHM C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820323059 599508587 /nfs/dbraw/zinc/50/85/87/599508587.db2.gz WUSYPWQNJZNLNM-AWEZNQCLSA-N -1 3 389.459 3.196 20 0 GGADHM C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820323059 599508589 /nfs/dbraw/zinc/50/85/89/599508589.db2.gz WUSYPWQNJZNLNM-AWEZNQCLSA-N -1 3 389.459 3.196 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822500998 599513382 /nfs/dbraw/zinc/51/33/82/599513382.db2.gz QEJUCLHVMSEYQW-AWEZNQCLSA-N -1 3 395.511 3.146 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822500998 599513384 /nfs/dbraw/zinc/51/33/84/599513384.db2.gz QEJUCLHVMSEYQW-AWEZNQCLSA-N -1 3 395.511 3.146 20 0 GGADHM CCc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000821461546 599515264 /nfs/dbraw/zinc/51/52/64/599515264.db2.gz QEPYSLAXCBZYOH-AWEZNQCLSA-N -1 3 387.447 3.106 20 0 GGADHM CCc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000821461546 599515266 /nfs/dbraw/zinc/51/52/66/599515266.db2.gz QEPYSLAXCBZYOH-AWEZNQCLSA-N -1 3 387.447 3.106 20 0 GGADHM CCCc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000821138517 599519521 /nfs/dbraw/zinc/51/95/21/599519521.db2.gz AWZYSRWSDIBXOG-LLVKDONJSA-N -1 3 380.452 3.149 20 0 GGADHM CCCc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000821138517 599519522 /nfs/dbraw/zinc/51/95/22/599519522.db2.gz AWZYSRWSDIBXOG-LLVKDONJSA-N -1 3 380.452 3.149 20 0 GGADHM C[C@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137433 599520163 /nfs/dbraw/zinc/52/01/63/599520163.db2.gz KQJSNRGIAUPSOJ-ZDUSSCGKSA-N -1 3 386.419 3.082 20 0 GGADHM C[C@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137433 599520167 /nfs/dbraw/zinc/52/01/67/599520167.db2.gz KQJSNRGIAUPSOJ-ZDUSSCGKSA-N -1 3 386.419 3.082 20 0 GGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822239837 599520262 /nfs/dbraw/zinc/52/02/62/599520262.db2.gz GYWRGTUIEOEPLQ-CHWSQXEVSA-N -1 3 385.855 3.473 20 0 GGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822239837 599520264 /nfs/dbraw/zinc/52/02/64/599520264.db2.gz GYWRGTUIEOEPLQ-CHWSQXEVSA-N -1 3 385.855 3.473 20 0 GGADHM CCc1noc(-c2ccc(CCNc3ccc(F)cc3-c3nnn[n-]3)cc2)n1 ZINC000821553391 599520615 /nfs/dbraw/zinc/52/06/15/599520615.db2.gz FXHKTYOCBLOGKF-UHFFFAOYSA-N -1 3 379.399 3.273 20 0 GGADHM CCc1noc(-c2ccc(CCNc3ccc(F)cc3-c3nn[n-]n3)cc2)n1 ZINC000821553391 599520616 /nfs/dbraw/zinc/52/06/16/599520616.db2.gz FXHKTYOCBLOGKF-UHFFFAOYSA-N -1 3 379.399 3.273 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@H](c2cccc(F)c2)C1 ZINC000822337542 599521425 /nfs/dbraw/zinc/52/14/25/599521425.db2.gz YAKZRLWAMAWBSI-SFHVURJKSA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@H](c2cccc(F)c2)C1 ZINC000822337542 599521426 /nfs/dbraw/zinc/52/14/26/599521426.db2.gz YAKZRLWAMAWBSI-SFHVURJKSA-N -1 3 390.422 3.440 20 0 GGADHM Fc1ccc([C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)cc1F ZINC000822766889 599521631 /nfs/dbraw/zinc/52/16/31/599521631.db2.gz PNHZTSYFPXBRHS-SFHVURJKSA-N -1 3 394.385 3.271 20 0 GGADHM Fc1ccc([C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)cc1F ZINC000822766889 599521633 /nfs/dbraw/zinc/52/16/33/599521633.db2.gz PNHZTSYFPXBRHS-SFHVURJKSA-N -1 3 394.385 3.271 20 0 GGADHM COc1nc(C)cc(C)c1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000821910786 599521810 /nfs/dbraw/zinc/52/18/10/599521810.db2.gz GZTSNAKDERPLLE-UHFFFAOYSA-N -1 3 389.463 3.086 20 0 GGADHM COc1nc(C)cc(C)c1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000821910786 599521812 /nfs/dbraw/zinc/52/18/12/599521812.db2.gz GZTSNAKDERPLLE-UHFFFAOYSA-N -1 3 389.463 3.086 20 0 GGADHM FC(F)CN1CCC(Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000737639381 599523112 /nfs/dbraw/zinc/52/31/12/599523112.db2.gz SIVFLYLGRWJPEY-UHFFFAOYSA-N -1 3 376.333 3.027 20 0 GGADHM C[C@@H](NC(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396261 599526440 /nfs/dbraw/zinc/52/64/40/599526440.db2.gz DQFIXPVDMHOYJI-GFCCVEGCSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@@H](NC(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396261 599526442 /nfs/dbraw/zinc/52/64/42/599526442.db2.gz DQFIXPVDMHOYJI-GFCCVEGCSA-N -1 3 376.445 3.481 20 0 GGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737497395 599526806 /nfs/dbraw/zinc/52/68/06/599526806.db2.gz BQRSJEQHIKZGBJ-AWEZNQCLSA-N -1 3 375.358 3.473 20 0 GGADHM Cc1cc(Nc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1OCC(F)(F)F ZINC000737278042 599528491 /nfs/dbraw/zinc/52/84/91/599528491.db2.gz DWLJNADGJUOEPS-UHFFFAOYSA-N -1 3 379.346 3.267 20 0 GGADHM Cc1cc(Nc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000737278042 599528493 /nfs/dbraw/zinc/52/84/93/599528493.db2.gz DWLJNADGJUOEPS-UHFFFAOYSA-N -1 3 379.346 3.267 20 0 GGADHM Cc1ccoc1C(=O)NCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737443913 599533394 /nfs/dbraw/zinc/53/33/94/599533394.db2.gz XXPXBDRUDSDJOO-UHFFFAOYSA-N -1 3 394.357 3.019 20 0 GGADHM Cc1cc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)nc(C)n1 ZINC000822206834 599535012 /nfs/dbraw/zinc/53/50/12/599535012.db2.gz AUDDWRCJYKAHOO-AWEZNQCLSA-N -1 3 384.875 3.008 20 0 GGADHM Cc1cc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)nc(C)n1 ZINC000822206834 599535015 /nfs/dbraw/zinc/53/50/15/599535015.db2.gz AUDDWRCJYKAHOO-AWEZNQCLSA-N -1 3 384.875 3.008 20 0 GGADHM C[C@H](NC(=O)CCCOc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820323370 599535767 /nfs/dbraw/zinc/53/57/67/599535767.db2.gz YGYGKBXHMQGHOL-LBPRGKRZSA-N -1 3 387.390 3.181 20 0 GGADHM C[C@H](NC(=O)CCCOc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820323370 599535770 /nfs/dbraw/zinc/53/57/70/599535770.db2.gz YGYGKBXHMQGHOL-LBPRGKRZSA-N -1 3 387.390 3.181 20 0 GGADHM CC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000736372319 599536009 /nfs/dbraw/zinc/53/60/09/599536009.db2.gz WYSBGVGNWBSVGB-NSHDSACASA-N -1 3 379.902 3.414 20 0 GGADHM CC[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000736372319 599536012 /nfs/dbraw/zinc/53/60/12/599536012.db2.gz WYSBGVGNWBSVGB-NSHDSACASA-N -1 3 379.902 3.414 20 0 GGADHM COc1ccccc1[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737147755 599537295 /nfs/dbraw/zinc/53/72/95/599537295.db2.gz OAHJIQVSMOKKOV-LLVKDONJSA-N -1 3 390.369 3.283 20 0 GGADHM COc1ccccc1[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737147755 599537298 /nfs/dbraw/zinc/53/72/98/599537298.db2.gz OAHJIQVSMOKKOV-LLVKDONJSA-N -1 3 390.369 3.283 20 0 GGADHM O=C(c1ccccc1)N1CCC(CNc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738279538 599538054 /nfs/dbraw/zinc/53/80/54/599538054.db2.gz VWYCNFFKQGTVJJ-UHFFFAOYSA-N -1 3 396.882 3.484 20 0 GGADHM O=C(c1ccccc1)N1CCC(CNc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738279538 599538056 /nfs/dbraw/zinc/53/80/56/599538056.db2.gz VWYCNFFKQGTVJJ-UHFFFAOYSA-N -1 3 396.882 3.484 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccccc1F ZINC000737025147 599539916 /nfs/dbraw/zinc/53/99/16/599539916.db2.gz MAFOQAVXWSZTQQ-SNVBAGLBSA-N -1 3 390.802 3.452 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccccc1F ZINC000737025147 599539919 /nfs/dbraw/zinc/53/99/19/599539919.db2.gz MAFOQAVXWSZTQQ-SNVBAGLBSA-N -1 3 390.802 3.452 20 0 GGADHM C[C@@H](NC(=O)c1cccnc1SC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397709 599539915 /nfs/dbraw/zinc/53/99/15/599539915.db2.gz RJDRYGHZAGCGIV-SECBINFHSA-N -1 3 376.392 3.067 20 0 GGADHM C[C@@H](NC(=O)c1cccnc1SC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397709 599539918 /nfs/dbraw/zinc/53/99/18/599539918.db2.gz RJDRYGHZAGCGIV-SECBINFHSA-N -1 3 376.392 3.067 20 0 GGADHM Cc1cnn([C@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)c1 ZINC000822403792 599539944 /nfs/dbraw/zinc/53/99/44/599539944.db2.gz UZCVXSPMTQJUSO-ZDUSSCGKSA-N -1 3 377.374 3.232 20 0 GGADHM Cc1cnn([C@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)c1 ZINC000822403792 599539946 /nfs/dbraw/zinc/53/99/46/599539946.db2.gz UZCVXSPMTQJUSO-ZDUSSCGKSA-N -1 3 377.374 3.232 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822160968 599540008 /nfs/dbraw/zinc/54/00/08/599540008.db2.gz MKBMCXTZLHSOIK-NSHDSACASA-N -1 3 386.253 3.429 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822160968 599540010 /nfs/dbraw/zinc/54/00/10/599540010.db2.gz MKBMCXTZLHSOIK-NSHDSACASA-N -1 3 386.253 3.429 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000606368458 599541467 /nfs/dbraw/zinc/54/14/67/599541467.db2.gz UILXBXFBLBYYFU-GFCCVEGCSA-N -1 3 389.381 3.381 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000606368458 599541470 /nfs/dbraw/zinc/54/14/70/599541470.db2.gz UILXBXFBLBYYFU-GFCCVEGCSA-N -1 3 389.381 3.381 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N[C@H]3CCN(c4ccccc4)C3)c2c1 ZINC000822581782 599542620 /nfs/dbraw/zinc/54/26/20/599542620.db2.gz OCOQDLOSNSWTQJ-AWEZNQCLSA-N -1 3 391.866 3.181 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N[C@H]3CCN(c4ccccc4)C3)c2c1 ZINC000822581782 599542622 /nfs/dbraw/zinc/54/26/22/599542622.db2.gz OCOQDLOSNSWTQJ-AWEZNQCLSA-N -1 3 391.866 3.181 20 0 GGADHM Cc1ccc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000822231800 599543292 /nfs/dbraw/zinc/54/32/92/599543292.db2.gz HUUGPUMPNUOCFK-MRXNPFEDSA-N -1 3 391.475 3.101 20 0 GGADHM Cc1ccc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCOCC2)cc1 ZINC000822231800 599543294 /nfs/dbraw/zinc/54/32/94/599543294.db2.gz HUUGPUMPNUOCFK-MRXNPFEDSA-N -1 3 391.475 3.101 20 0 GGADHM CN(CCN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1ccccc1 ZINC000821601560 599544788 /nfs/dbraw/zinc/54/47/88/599544788.db2.gz NVHKXDZALZVAAX-UHFFFAOYSA-N -1 3 395.417 3.266 20 0 GGADHM CN(CCN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)c1ccccc1 ZINC000821601560 599544789 /nfs/dbraw/zinc/54/47/89/599544789.db2.gz NVHKXDZALZVAAX-UHFFFAOYSA-N -1 3 395.417 3.266 20 0 GGADHM COCc1cc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)ccc1F ZINC000821694901 599544795 /nfs/dbraw/zinc/54/47/95/599544795.db2.gz AFLPNVQUXCRWFI-UHFFFAOYSA-N -1 3 392.438 3.351 20 0 GGADHM COCc1cc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)ccc1F ZINC000821694901 599544797 /nfs/dbraw/zinc/54/47/97/599544797.db2.gz AFLPNVQUXCRWFI-UHFFFAOYSA-N -1 3 392.438 3.351 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737548842 599545310 /nfs/dbraw/zinc/54/53/10/599545310.db2.gz SFIBSIPAVRVLTC-UHFFFAOYSA-N -1 3 396.357 3.385 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737548842 599545312 /nfs/dbraw/zinc/54/53/12/599545312.db2.gz SFIBSIPAVRVLTC-UHFFFAOYSA-N -1 3 396.357 3.385 20 0 GGADHM CCCOc1ccc2c(c1)CCN(c1nc3c(cc1-c1nnn[n-]1)CCC3)C2 ZINC000821134246 607383401 /nfs/dbraw/zinc/38/34/01/607383401.db2.gz QBOLWSZFUJSNAW-UHFFFAOYSA-N -1 3 376.464 3.102 20 0 GGADHM CCCOc1ccc2c(c1)CCN(c1nc3c(cc1-c1nn[n-]n1)CCC3)C2 ZINC000821134246 607383403 /nfs/dbraw/zinc/38/34/03/607383403.db2.gz QBOLWSZFUJSNAW-UHFFFAOYSA-N -1 3 376.464 3.102 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737548254 599546603 /nfs/dbraw/zinc/54/66/03/599546603.db2.gz PEJMXEBSTZTRPT-UHFFFAOYSA-N -1 3 396.357 3.038 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737548254 599546605 /nfs/dbraw/zinc/54/66/05/599546605.db2.gz PEJMXEBSTZTRPT-UHFFFAOYSA-N -1 3 396.357 3.038 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737851731 599546719 /nfs/dbraw/zinc/54/67/19/599546719.db2.gz IEBPJHNIKJVYJA-UXHICEINSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737851731 599546721 /nfs/dbraw/zinc/54/67/21/599546721.db2.gz IEBPJHNIKJVYJA-UXHICEINSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000737851730 599546859 /nfs/dbraw/zinc/54/68/59/599546859.db2.gz IEBPJHNIKJVYJA-PMACEKPBSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000737851730 599546860 /nfs/dbraw/zinc/54/68/60/599546860.db2.gz IEBPJHNIKJVYJA-PMACEKPBSA-N -1 3 375.476 3.327 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000737420526 599549221 /nfs/dbraw/zinc/54/92/21/599549221.db2.gz JPIAREGMASOZJX-BRWVUGGUSA-N -1 3 391.475 3.347 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000737420526 599549223 /nfs/dbraw/zinc/54/92/23/599549223.db2.gz JPIAREGMASOZJX-BRWVUGGUSA-N -1 3 391.475 3.347 20 0 GGADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736349544 599549678 /nfs/dbraw/zinc/54/96/78/599549678.db2.gz GNDDWNQOOFKELT-BZNIZROVSA-N -1 3 387.390 3.180 20 0 GGADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736349544 599549679 /nfs/dbraw/zinc/54/96/79/599549679.db2.gz GNDDWNQOOFKELT-BZNIZROVSA-N -1 3 387.390 3.180 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)s1 ZINC000737334010 599550775 /nfs/dbraw/zinc/55/07/75/599550775.db2.gz FEZZCFRJOLHOCM-SCLBCKFNSA-N -1 3 399.520 3.387 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)s1 ZINC000737334010 599550777 /nfs/dbraw/zinc/55/07/77/599550777.db2.gz FEZZCFRJOLHOCM-SCLBCKFNSA-N -1 3 399.520 3.387 20 0 GGADHM Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000822248401 599551397 /nfs/dbraw/zinc/55/13/97/599551397.db2.gz DLLPXTFWCGRQBH-UHFFFAOYSA-N -1 3 384.465 3.312 20 0 GGADHM Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000822248401 599551398 /nfs/dbraw/zinc/55/13/98/599551398.db2.gz DLLPXTFWCGRQBH-UHFFFAOYSA-N -1 3 384.465 3.312 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@@H]1OCCc2ccccc21 ZINC000822204271 599556110 /nfs/dbraw/zinc/55/61/10/599556110.db2.gz JZPFAPQWYUFFLP-SFHVURJKSA-N -1 3 390.422 3.010 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@@H]1OCCc2ccccc21 ZINC000822204271 599556112 /nfs/dbraw/zinc/55/61/12/599556112.db2.gz JZPFAPQWYUFFLP-SFHVURJKSA-N -1 3 390.422 3.010 20 0 GGADHM Fc1ccc([C@H]2CCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822766493 599560652 /nfs/dbraw/zinc/56/06/52/599560652.db2.gz KPQWFEDTXAOCOQ-QGZVFWFLSA-N -1 3 391.410 3.393 20 0 GGADHM Fc1ccc([C@H]2CCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822766493 599560653 /nfs/dbraw/zinc/56/06/53/599560653.db2.gz KPQWFEDTXAOCOQ-QGZVFWFLSA-N -1 3 391.410 3.393 20 0 GGADHM COc1ccccc1[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821882772 599561564 /nfs/dbraw/zinc/56/15/64/599561564.db2.gz KKOATQMESOEMPY-CQSZACIVSA-N -1 3 379.342 3.040 20 0 GGADHM COc1ccccc1[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821882772 599561566 /nfs/dbraw/zinc/56/15/66/599561566.db2.gz KKOATQMESOEMPY-CQSZACIVSA-N -1 3 379.342 3.040 20 0 GGADHM Fc1cccc(CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C2CC2)c1 ZINC000822786223 599565358 /nfs/dbraw/zinc/56/53/58/599565358.db2.gz FDFAPWCNFUODSP-UHFFFAOYSA-N -1 3 391.410 3.220 20 0 GGADHM Fc1cccc(CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CC2)c1 ZINC000822786223 599565360 /nfs/dbraw/zinc/56/53/60/599565360.db2.gz FDFAPWCNFUODSP-UHFFFAOYSA-N -1 3 391.410 3.220 20 0 GGADHM COc1ccncc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737159224 599568434 /nfs/dbraw/zinc/56/84/34/599568434.db2.gz LDZICEBNZNNULG-UHFFFAOYSA-N -1 3 387.403 3.266 20 0 GGADHM CC[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)O1 ZINC000736407844 599569069 /nfs/dbraw/zinc/56/90/69/599569069.db2.gz HNDICZQRWTWKLL-LIRRHRJNSA-N -1 3 392.463 3.250 20 0 GGADHM O=C(c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000738270746 599573793 /nfs/dbraw/zinc/57/37/93/599573793.db2.gz WQZVZRYRTCCTMK-PKOBYXMFSA-N -1 3 375.432 3.070 20 0 GGADHM C[C@@H]1CSCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736292792 599575284 /nfs/dbraw/zinc/57/52/84/599575284.db2.gz MACARMYVVAJCRE-CYBMUJFWSA-N -1 3 380.477 3.188 20 0 GGADHM C[C@H]1c2ccc(F)cc2CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820826971 599575707 /nfs/dbraw/zinc/57/57/07/599575707.db2.gz PKTXQSXLUITCCT-LBPRGKRZSA-N -1 3 391.410 3.175 20 0 GGADHM C[C@H]1c2ccc(F)cc2CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820826971 599575711 /nfs/dbraw/zinc/57/57/11/599575711.db2.gz PKTXQSXLUITCCT-LBPRGKRZSA-N -1 3 391.410 3.175 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821002391 599575860 /nfs/dbraw/zinc/57/58/60/599575860.db2.gz WOZJIOQUCKIXCV-GOSISDBHSA-N -1 3 387.447 3.426 20 0 GGADHM CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000821592614 599585289 /nfs/dbraw/zinc/58/52/89/599585289.db2.gz MZYTUXCOUHYOFF-UHFFFAOYSA-N -1 3 398.470 3.286 20 0 GGADHM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000821592614 599585290 /nfs/dbraw/zinc/58/52/90/599585290.db2.gz MZYTUXCOUHYOFF-UHFFFAOYSA-N -1 3 398.470 3.286 20 0 GGADHM CCc1ccc([C@@H](COC)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)o1 ZINC000821480399 599585365 /nfs/dbraw/zinc/58/53/65/599585365.db2.gz BXEYWDZACUVHMK-LLVKDONJSA-N -1 3 382.346 3.236 20 0 GGADHM CCc1ccc([C@@H](COC)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)o1 ZINC000821480399 599585367 /nfs/dbraw/zinc/58/53/67/599585367.db2.gz BXEYWDZACUVHMK-LLVKDONJSA-N -1 3 382.346 3.236 20 0 GGADHM COc1ccc(C[C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000821790021 599591420 /nfs/dbraw/zinc/59/14/20/599591420.db2.gz FGAMXIIYSZDFNF-MRXNPFEDSA-N -1 3 390.491 3.218 20 0 GGADHM COc1ccc(C[C@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000821790021 599591422 /nfs/dbraw/zinc/59/14/22/599591422.db2.gz FGAMXIIYSZDFNF-MRXNPFEDSA-N -1 3 390.491 3.218 20 0 GGADHM Cc1ccc([C@H]2[C@H](C)CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330965 599597779 /nfs/dbraw/zinc/59/77/79/599597779.db2.gz OJDXBVMUPLKECM-DNVCBOLYSA-N -1 3 397.504 3.337 20 0 GGADHM Cc1ccc([C@H]2[C@H](C)CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737330965 599597781 /nfs/dbraw/zinc/59/77/81/599597781.db2.gz OJDXBVMUPLKECM-DNVCBOLYSA-N -1 3 397.504 3.337 20 0 GGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737419086 599601453 /nfs/dbraw/zinc/60/14/53/599601453.db2.gz CHRQHCRZIDTXJK-QAPCUYQASA-N -1 3 376.464 3.263 20 0 GGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737419086 599601454 /nfs/dbraw/zinc/60/14/54/599601454.db2.gz CHRQHCRZIDTXJK-QAPCUYQASA-N -1 3 376.464 3.263 20 0 GGADHM C[C@@H](OC(=O)CC/C=C/c1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736150378 599604943 /nfs/dbraw/zinc/60/49/43/599604943.db2.gz NMTMWYWJIOAWGF-HYJLXUOHSA-N -1 3 391.431 3.231 20 0 GGADHM C[C@@H](OC(=O)CC/C=C/c1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736150378 599604945 /nfs/dbraw/zinc/60/49/45/599604945.db2.gz NMTMWYWJIOAWGF-HYJLXUOHSA-N -1 3 391.431 3.231 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737548107 599606189 /nfs/dbraw/zinc/60/61/89/599606189.db2.gz MNDSHPWXIPZDDN-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737548107 599606191 /nfs/dbraw/zinc/60/61/91/599606191.db2.gz MNDSHPWXIPZDDN-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736392770 599608425 /nfs/dbraw/zinc/60/84/25/599608425.db2.gz RVVUHWQVHKCBCN-INIZCTEOSA-N -1 3 378.404 3.211 20 0 GGADHM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736392770 599608427 /nfs/dbraw/zinc/60/84/27/599608427.db2.gz RVVUHWQVHKCBCN-INIZCTEOSA-N -1 3 378.404 3.211 20 0 GGADHM COc1ccc(-c2ncc(C(=O)OCc3ccccc3-c3nnn[n-]3)s2)cc1 ZINC000821731961 599620766 /nfs/dbraw/zinc/62/07/66/599620766.db2.gz JHRBZYVRYNRKAQ-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COc1ccc(-c2ncc(C(=O)OCc3ccccc3-c3nn[n-]n3)s2)cc1 ZINC000821731961 599620767 /nfs/dbraw/zinc/62/07/67/599620767.db2.gz JHRBZYVRYNRKAQ-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000822486247 599620772 /nfs/dbraw/zinc/62/07/72/599620772.db2.gz CVOANXNJUASUNX-UHFFFAOYSA-N -1 3 394.822 3.371 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000822486247 599620773 /nfs/dbraw/zinc/62/07/73/599620773.db2.gz CVOANXNJUASUNX-UHFFFAOYSA-N -1 3 394.822 3.371 20 0 GGADHM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820488578 599621391 /nfs/dbraw/zinc/62/13/91/599621391.db2.gz PWEQAKHCOWJEON-JCURWCKSSA-N -1 3 392.415 3.046 20 0 GGADHM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820488578 599621392 /nfs/dbraw/zinc/62/13/92/599621392.db2.gz PWEQAKHCOWJEON-JCURWCKSSA-N -1 3 392.415 3.046 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822486243 599623180 /nfs/dbraw/zinc/62/31/80/599623180.db2.gz CNVVYELQZVIURY-UHFFFAOYSA-N -1 3 394.822 3.371 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822486243 599623181 /nfs/dbraw/zinc/62/31/81/599623181.db2.gz CNVVYELQZVIURY-UHFFFAOYSA-N -1 3 394.822 3.371 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820254837 599623556 /nfs/dbraw/zinc/62/35/56/599623556.db2.gz YFHTWHIRTMPNAT-AWEZNQCLSA-N -1 3 384.411 3.197 20 0 GGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820252731 599623566 /nfs/dbraw/zinc/62/35/66/599623566.db2.gz CNYIZPWKBLCMLK-AWEZNQCLSA-N -1 3 384.411 3.197 20 0 GGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820939583 599624084 /nfs/dbraw/zinc/62/40/84/599624084.db2.gz WMBCNTJOBIJVTJ-OLMNPRSZSA-N -1 3 388.468 3.163 20 0 GGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2cscn2)c1 ZINC000823408989 599624265 /nfs/dbraw/zinc/62/42/65/599624265.db2.gz ACQKKTJJMLLUNM-UHFFFAOYSA-N -1 3 393.428 3.226 20 0 GGADHM O=C(OC1([C@@H]2CCOC2)CC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823391733 599624919 /nfs/dbraw/zinc/62/49/19/599624919.db2.gz CWWBRCBTEKDHKQ-MRXNPFEDSA-N -1 3 391.431 3.336 20 0 GGADHM Cc1ccc(C[C@H](OC(=O)COc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000822234879 599626212 /nfs/dbraw/zinc/62/62/12/599626212.db2.gz KNDWLFNCKACPKD-IBGZPJMESA-N -1 3 378.432 3.118 20 0 GGADHM Cc1ccc(C[C@H](OC(=O)COc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822234879 599626213 /nfs/dbraw/zinc/62/62/13/599626213.db2.gz KNDWLFNCKACPKD-IBGZPJMESA-N -1 3 378.432 3.118 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Oc1cccc2c1CCCC2=O ZINC000823060536 599626364 /nfs/dbraw/zinc/62/63/64/599626364.db2.gz GIQURCPZZZYIJK-UHFFFAOYSA-N -1 3 394.456 3.225 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Oc1cccc2c1CCCC2=O ZINC000823060536 599626365 /nfs/dbraw/zinc/62/63/65/599626365.db2.gz GIQURCPZZZYIJK-UHFFFAOYSA-N -1 3 394.456 3.225 20 0 GGADHM COc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000821837929 599627044 /nfs/dbraw/zinc/62/70/44/599627044.db2.gz HXOJIISXFQRFPF-CYBMUJFWSA-N -1 3 390.399 3.401 20 0 GGADHM C[C@H]1CC[C@H](CCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820689668 599628329 /nfs/dbraw/zinc/62/83/29/599628329.db2.gz AOMHWLBBNLNKPS-SMDDNHRTSA-N -1 3 384.465 3.276 20 0 GGADHM C[C@H]1CC[C@H](CCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)O1 ZINC000820689668 599628330 /nfs/dbraw/zinc/62/83/30/599628330.db2.gz AOMHWLBBNLNKPS-SMDDNHRTSA-N -1 3 384.465 3.276 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000821347484 599629398 /nfs/dbraw/zinc/62/93/98/599629398.db2.gz VRFBIRKICJMYNX-QMMMGPOBSA-N -1 3 378.845 3.326 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000821347484 599629399 /nfs/dbraw/zinc/62/93/99/599629399.db2.gz VRFBIRKICJMYNX-QMMMGPOBSA-N -1 3 378.845 3.326 20 0 GGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820939308 599630099 /nfs/dbraw/zinc/63/00/99/599630099.db2.gz SYBFQRWHJDLRRN-IFIJOSMWSA-N -1 3 375.448 3.343 20 0 GGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820939308 599630100 /nfs/dbraw/zinc/63/01/00/599630100.db2.gz SYBFQRWHJDLRRN-IFIJOSMWSA-N -1 3 375.448 3.343 20 0 GGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820535685 599632011 /nfs/dbraw/zinc/63/20/11/599632011.db2.gz QDLAJEDPVXQZMG-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820535685 599632012 /nfs/dbraw/zinc/63/20/12/599632012.db2.gz QDLAJEDPVXQZMG-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000823303622 599633378 /nfs/dbraw/zinc/63/33/78/599633378.db2.gz OTTKKVZFISGIGO-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000823303622 599633379 /nfs/dbraw/zinc/63/33/79/599633379.db2.gz OTTKKVZFISGIGO-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM CC(=O)c1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000819834134 599633520 /nfs/dbraw/zinc/63/35/20/599633520.db2.gz MKBIOUWIGMFAJE-UHFFFAOYSA-N -1 3 389.337 3.269 20 0 GGADHM CC(=O)c1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000819834134 599633521 /nfs/dbraw/zinc/63/35/21/599633521.db2.gz MKBIOUWIGMFAJE-UHFFFAOYSA-N -1 3 389.337 3.269 20 0 GGADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1C ZINC000821702786 599633595 /nfs/dbraw/zinc/63/35/95/599633595.db2.gz ADEWBHJKBJWVHN-UHFFFAOYSA-N -1 3 377.326 3.455 20 0 GGADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1C ZINC000821702786 599633596 /nfs/dbraw/zinc/63/35/96/599633596.db2.gz ADEWBHJKBJWVHN-UHFFFAOYSA-N -1 3 377.326 3.455 20 0 GGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822519793 599634039 /nfs/dbraw/zinc/63/40/39/599634039.db2.gz MBODGICSJXLHIX-ZETCQYMHSA-N -1 3 380.330 3.233 20 0 GGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822519793 599634040 /nfs/dbraw/zinc/63/40/40/599634040.db2.gz MBODGICSJXLHIX-ZETCQYMHSA-N -1 3 380.330 3.233 20 0 GGADHM CCc1ccc([C@H](C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821482058 599635341 /nfs/dbraw/zinc/63/53/41/599635341.db2.gz PSYQSBVIDNNKGN-ZDUSSCGKSA-N -1 3 375.436 3.330 20 0 GGADHM CCc1ccc([C@H](C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821482058 599635342 /nfs/dbraw/zinc/63/53/42/599635342.db2.gz PSYQSBVIDNNKGN-ZDUSSCGKSA-N -1 3 375.436 3.330 20 0 GGADHM Cc1cccnc1[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000822369866 599638891 /nfs/dbraw/zinc/63/88/91/599638891.db2.gz NSYPHXFXIQOLCA-KRWDZBQOSA-N -1 3 390.451 3.107 20 0 GGADHM Cc1cccnc1[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000822369866 599638892 /nfs/dbraw/zinc/63/88/92/599638892.db2.gz NSYPHXFXIQOLCA-KRWDZBQOSA-N -1 3 390.451 3.107 20 0 GGADHM Cc1cc(F)cc2c1N(Cc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)CCC2 ZINC000822204529 599639718 /nfs/dbraw/zinc/63/97/18/599639718.db2.gz RWLDJSNJMJWBQW-UHFFFAOYSA-N -1 3 391.410 3.317 20 0 GGADHM Cc1cc(F)cc2c1N(Cc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)CCC2 ZINC000822204529 599639719 /nfs/dbraw/zinc/63/97/19/599639719.db2.gz RWLDJSNJMJWBQW-UHFFFAOYSA-N -1 3 391.410 3.317 20 0 GGADHM CC(C)C1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000820037824 599641322 /nfs/dbraw/zinc/64/13/22/599641322.db2.gz IRIXOSHJRHBIJS-LBPRGKRZSA-N -1 3 388.541 3.112 20 0 GGADHM CO[C@@H](CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)(C)C ZINC000821677062 599654514 /nfs/dbraw/zinc/65/45/14/599654514.db2.gz NLRSAOWCQNWSRH-SFHVURJKSA-N -1 3 395.463 3.450 20 0 GGADHM CO[C@@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C ZINC000821677062 599654515 /nfs/dbraw/zinc/65/45/15/599654515.db2.gz NLRSAOWCQNWSRH-SFHVURJKSA-N -1 3 395.463 3.450 20 0 GGADHM CC(C)c1ccsc1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820197575 599657743 /nfs/dbraw/zinc/65/77/43/599657743.db2.gz LZXWFMKNULMNSJ-UHFFFAOYSA-N -1 3 396.432 3.459 20 0 GGADHM CC(C)c1ccsc1C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820197575 599657744 /nfs/dbraw/zinc/65/77/44/599657744.db2.gz LZXWFMKNULMNSJ-UHFFFAOYSA-N -1 3 396.432 3.459 20 0 GGADHM CC(=CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000819764051 599657943 /nfs/dbraw/zinc/65/79/43/599657943.db2.gz DLMNUUUIOJMKKD-RAXLEYEMSA-N -1 3 388.387 3.063 20 0 GGADHM CC(=CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000819764051 599657944 /nfs/dbraw/zinc/65/79/44/599657944.db2.gz DLMNUUUIOJMKKD-RAXLEYEMSA-N -1 3 388.387 3.063 20 0 GGADHM Cc1cccc([C@H](C)C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822289576 599662270 /nfs/dbraw/zinc/66/22/70/599662270.db2.gz ZYVGVRYMABWQIB-ZDUSSCGKSA-N -1 3 390.403 3.072 20 0 GGADHM Cc1cccc([C@H](C)C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822289576 599662271 /nfs/dbraw/zinc/66/22/71/599662271.db2.gz ZYVGVRYMABWQIB-ZDUSSCGKSA-N -1 3 390.403 3.072 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CCCCCCC1 ZINC000823444246 599663716 /nfs/dbraw/zinc/66/37/16/599663716.db2.gz KNYVKGKVJDEEMH-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CCCCCCC1 ZINC000823444246 599663717 /nfs/dbraw/zinc/66/37/17/599663717.db2.gz KNYVKGKVJDEEMH-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM COc1ccc(C2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000821786669 599664228 /nfs/dbraw/zinc/66/42/28/599664228.db2.gz HKQUNRLEOMONHD-UHFFFAOYSA-N -1 3 394.504 3.452 20 0 GGADHM COc1ccc(C2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000821786669 599664229 /nfs/dbraw/zinc/66/42/29/599664229.db2.gz HKQUNRLEOMONHD-UHFFFAOYSA-N -1 3 394.504 3.452 20 0 GGADHM CCCOc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821134487 599668417 /nfs/dbraw/zinc/66/84/17/599668417.db2.gz XKAQQMCRQKMAPJ-UHFFFAOYSA-N -1 3 384.411 3.471 20 0 GGADHM CCCOc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821134487 599668418 /nfs/dbraw/zinc/66/84/18/599668418.db2.gz XKAQQMCRQKMAPJ-UHFFFAOYSA-N -1 3 384.411 3.471 20 0 GGADHM CC(C)(C)[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819898061 599668766 /nfs/dbraw/zinc/66/87/66/599668766.db2.gz CGFJTRRAPVXTPH-GOSISDBHSA-N -1 3 394.479 3.332 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000823440515 599672325 /nfs/dbraw/zinc/67/23/25/599672325.db2.gz XHIIQMSKQXHOMX-JTSKRJEESA-N -1 3 385.427 3.067 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000823440515 599672326 /nfs/dbraw/zinc/67/23/26/599672326.db2.gz XHIIQMSKQXHOMX-JTSKRJEESA-N -1 3 385.427 3.067 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC1(c2ccc(F)cc2)CCC1 ZINC000823235885 599674455 /nfs/dbraw/zinc/67/44/55/599674455.db2.gz ZIKCSQMPJVRHNK-UHFFFAOYSA-N -1 3 384.390 3.024 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC1(c2ccc(F)cc2)CCC1 ZINC000823235885 599674456 /nfs/dbraw/zinc/67/44/56/599674456.db2.gz ZIKCSQMPJVRHNK-UHFFFAOYSA-N -1 3 384.390 3.024 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CC)c1ccncc1 ZINC000821104982 599675801 /nfs/dbraw/zinc/67/58/01/599675801.db2.gz UIVKTKFLVGLCBE-GOSISDBHSA-N -1 3 379.468 3.335 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CC)c1ccncc1 ZINC000821104982 599675802 /nfs/dbraw/zinc/67/58/02/599675802.db2.gz UIVKTKFLVGLCBE-GOSISDBHSA-N -1 3 379.468 3.335 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCCC[C@H]1c1ccco1 ZINC000823233277 599679202 /nfs/dbraw/zinc/67/92/02/599679202.db2.gz FPRUKQLYKRBHCY-INIZCTEOSA-N -1 3 384.415 3.426 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCCC[C@H]1c1ccco1 ZINC000823233277 599679203 /nfs/dbraw/zinc/67/92/03/599679203.db2.gz FPRUKQLYKRBHCY-INIZCTEOSA-N -1 3 384.415 3.426 20 0 GGADHM Cc1csc([C@H]2CCCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000822410130 599681709 /nfs/dbraw/zinc/68/17/09/599681709.db2.gz XKDPNDCXSKUYAO-CJNGLKHVSA-N -1 3 397.508 3.282 20 0 GGADHM Cc1csc([C@H]2CCCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000822410130 599681710 /nfs/dbraw/zinc/68/17/10/599681710.db2.gz XKDPNDCXSKUYAO-CJNGLKHVSA-N -1 3 397.508 3.282 20 0 GGADHM COc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821795387 599681780 /nfs/dbraw/zinc/68/17/80/599681780.db2.gz YOPDJNCXVRFNOG-CQSZACIVSA-N -1 3 392.463 3.311 20 0 GGADHM COc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821795387 599681781 /nfs/dbraw/zinc/68/17/81/599681781.db2.gz YOPDJNCXVRFNOG-CQSZACIVSA-N -1 3 392.463 3.311 20 0 GGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820249705 599689491 /nfs/dbraw/zinc/68/94/91/599689491.db2.gz YQYFUZQHLAUHKK-LBPRGKRZSA-N -1 3 383.477 3.461 20 0 GGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820249705 599689492 /nfs/dbraw/zinc/68/94/92/599689492.db2.gz YQYFUZQHLAUHKK-LBPRGKRZSA-N -1 3 383.477 3.461 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820656674 607387094 /nfs/dbraw/zinc/38/70/94/607387094.db2.gz GTPCHGGAZYWBJT-VXGBXAGGSA-N -1 3 392.891 3.402 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820656674 607387096 /nfs/dbraw/zinc/38/70/96/607387096.db2.gz GTPCHGGAZYWBJT-VXGBXAGGSA-N -1 3 392.891 3.402 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(-c2ccccn2)n1 ZINC000826252818 607387202 /nfs/dbraw/zinc/38/72/02/607387202.db2.gz SORFQNNPPFHNEJ-UHFFFAOYSA-N -1 3 378.417 3.051 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(-c2ccccn2)n1 ZINC000826252818 607387204 /nfs/dbraw/zinc/38/72/04/607387204.db2.gz SORFQNNPPFHNEJ-UHFFFAOYSA-N -1 3 378.417 3.051 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C(=O)N(C)C1CCCCC1)C(C)C ZINC000826250964 607387625 /nfs/dbraw/zinc/38/76/25/607387625.db2.gz AWLGRHYQVFMEIF-GOSISDBHSA-N -1 3 399.495 3.148 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C(=O)N(C)C1CCCCC1)C(C)C ZINC000826250964 607387626 /nfs/dbraw/zinc/38/76/26/607387626.db2.gz AWLGRHYQVFMEIF-GOSISDBHSA-N -1 3 399.495 3.148 20 0 GGADHM CCN1CCN(Cc2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)CC1 ZINC000737116169 599709064 /nfs/dbraw/zinc/70/90/64/599709064.db2.gz NZTFEBRATSBFIA-UHFFFAOYSA-N -1 3 382.464 3.166 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000739626035 599709291 /nfs/dbraw/zinc/70/92/91/599709291.db2.gz RKVVCLHNTAOSDJ-UGKGYDQZSA-N -1 3 392.499 3.294 20 0 GGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000739472264 599711106 /nfs/dbraw/zinc/71/11/06/599711106.db2.gz PGMHQDRFEBVUTP-SFHVURJKSA-N -1 3 389.402 3.377 20 0 GGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000739383132 599711834 /nfs/dbraw/zinc/71/18/34/599711834.db2.gz UEJCYGVFEZXNBI-GOSISDBHSA-N -1 3 377.460 3.048 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)Cc1ccccc1-c1ccccc1 ZINC000736204269 599718901 /nfs/dbraw/zinc/71/89/01/599718901.db2.gz IMFMZCOYGWKWRN-KRWDZBQOSA-N -1 3 380.488 3.497 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826316264 607391187 /nfs/dbraw/zinc/39/11/87/607391187.db2.gz IQSZCJUVUYILFF-CVEARBPZSA-N -1 3 384.461 3.352 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826316264 607391188 /nfs/dbraw/zinc/39/11/88/607391188.db2.gz IQSZCJUVUYILFF-CVEARBPZSA-N -1 3 384.461 3.352 20 0 GGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826316380 607391316 /nfs/dbraw/zinc/39/13/16/607391316.db2.gz MJQXSZQNSUMKRF-KBPBESRZSA-N -1 3 379.445 3.336 20 0 GGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826316380 607391318 /nfs/dbraw/zinc/39/13/18/607391318.db2.gz MJQXSZQNSUMKRF-KBPBESRZSA-N -1 3 379.445 3.336 20 0 GGADHM CCOC(=O)Nc1ccc2c(CN[C@H](C(=O)[O-])c3ccccc3)cc(=O)oc2c1 ZINC000737145944 599758571 /nfs/dbraw/zinc/75/85/71/599758571.db2.gz IIWYCPSXRLCNTK-IBGZPJMESA-N -1 3 396.399 3.277 20 0 GGADHM CC(C)c1cc(C(=O)Nc2sccc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000820187705 607392111 /nfs/dbraw/zinc/39/21/11/607392111.db2.gz NRVNMZJRCQVIAB-UHFFFAOYSA-N -1 3 379.449 3.490 20 0 GGADHM CC(C)c1cc(C(=O)Nc2sccc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000820187705 607392112 /nfs/dbraw/zinc/39/21/12/607392112.db2.gz NRVNMZJRCQVIAB-UHFFFAOYSA-N -1 3 379.449 3.490 20 0 GGADHM Cc1csc(=O)n1CCN(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738814421 599770585 /nfs/dbraw/zinc/77/05/85/599770585.db2.gz QUOJIRIWHJGORC-CYBMUJFWSA-N -1 3 375.277 3.283 20 0 GGADHM C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499372 607392689 /nfs/dbraw/zinc/39/26/89/607392689.db2.gz OIJJIERATKZGSC-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499372 607392691 /nfs/dbraw/zinc/39/26/91/607392691.db2.gz OIJJIERATKZGSC-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000739519187 599771991 /nfs/dbraw/zinc/77/19/91/599771991.db2.gz WMKHQWDJRPCLET-QGZVFWFLSA-N -1 3 382.395 3.276 20 0 GGADHM COc1c(C)ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826167249 607392788 /nfs/dbraw/zinc/39/27/88/607392788.db2.gz VWTURNXEICJVBB-UHFFFAOYSA-N -1 3 378.436 3.303 20 0 GGADHM COc1c(C)ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826167249 607392790 /nfs/dbraw/zinc/39/27/90/607392790.db2.gz VWTURNXEICJVBB-UHFFFAOYSA-N -1 3 378.436 3.303 20 0 GGADHM O=C(Nc1ccnn1C1CCCCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826459207 607393713 /nfs/dbraw/zinc/39/37/13/607393713.db2.gz ZLPFGVJSMDGOIS-UHFFFAOYSA-N -1 3 392.467 3.379 20 0 GGADHM O=C(Nc1ccnn1C1CCCCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826459207 607393715 /nfs/dbraw/zinc/39/37/15/607393715.db2.gz ZLPFGVJSMDGOIS-UHFFFAOYSA-N -1 3 392.467 3.379 20 0 GGADHM O=C([O-])[C@H](NCCn1c(=O)oc2ccccc21)c1ccccc1C(F)(F)F ZINC000739500755 599792237 /nfs/dbraw/zinc/79/22/37/599792237.db2.gz SHIGTTZIELAISA-OAHLLOKOSA-N -1 3 380.322 3.029 20 0 GGADHM CCC(=O)c1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825039448 607395998 /nfs/dbraw/zinc/39/59/98/607395998.db2.gz RJGFMPPMPPXXBA-UHFFFAOYSA-N -1 3 376.420 3.270 20 0 GGADHM CCC(=O)c1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825039448 607395999 /nfs/dbraw/zinc/39/59/99/607395999.db2.gz RJGFMPPMPPXXBA-UHFFFAOYSA-N -1 3 376.420 3.270 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1-c1nnn[n-]1 ZINC000820159821 607397989 /nfs/dbraw/zinc/39/79/89/607397989.db2.gz ABAGALLNEHRVHZ-UHFFFAOYSA-N -1 3 381.411 3.463 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1-c1nn[n-]n1 ZINC000820159821 607397990 /nfs/dbraw/zinc/39/79/90/607397990.db2.gz ABAGALLNEHRVHZ-UHFFFAOYSA-N -1 3 381.411 3.463 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000739758436 599828608 /nfs/dbraw/zinc/82/86/08/599828608.db2.gz CMUTXMXFRNLXFK-UHFFFAOYSA-N -1 3 391.537 3.187 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820160400 607398380 /nfs/dbraw/zinc/39/83/80/607398380.db2.gz IXTXYEUSRNXNAE-LBPRGKRZSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820160400 607398382 /nfs/dbraw/zinc/39/83/82/607398382.db2.gz IXTXYEUSRNXNAE-LBPRGKRZSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1-c1nnn[n-]1 ZINC000820169600 607399138 /nfs/dbraw/zinc/39/91/38/607399138.db2.gz KGZUJEAYXDDBKY-UHFFFAOYSA-N -1 3 395.316 3.463 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1-c1nn[n-]n1 ZINC000820169600 607399139 /nfs/dbraw/zinc/39/91/39/607399139.db2.gz KGZUJEAYXDDBKY-UHFFFAOYSA-N -1 3 395.316 3.463 20 0 GGADHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000822020806 607399407 /nfs/dbraw/zinc/39/94/07/607399407.db2.gz JWQCYJLXKVYTKH-UHFFFAOYSA-N -1 3 383.456 3.166 20 0 GGADHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000822020806 607399408 /nfs/dbraw/zinc/39/94/08/607399408.db2.gz JWQCYJLXKVYTKH-UHFFFAOYSA-N -1 3 383.456 3.166 20 0 GGADHM Cc1nc2ccccc2n1CCCOC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252105 607399778 /nfs/dbraw/zinc/39/97/78/607399778.db2.gz ONWFEMBAUGJVSS-UHFFFAOYSA-N -1 3 376.420 3.080 20 0 GGADHM Cc1nc2ccccc2n1CCCOC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252105 607399780 /nfs/dbraw/zinc/39/97/80/607399780.db2.gz ONWFEMBAUGJVSS-UHFFFAOYSA-N -1 3 376.420 3.080 20 0 GGADHM COC(=O)c1sc(NC(=O)CN(C(C)C)C2CCCC2)c(C(=O)[O-])c1C ZINC000737719030 599856337 /nfs/dbraw/zinc/85/63/37/599856337.db2.gz KVGUBNJECBFXDT-UHFFFAOYSA-N -1 3 382.482 3.133 20 0 GGADHM COc1ccc([C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000737975309 599859575 /nfs/dbraw/zinc/85/95/75/599859575.db2.gz XVSRSIXLOZSNKW-QGZVFWFLSA-N -1 3 377.824 3.425 20 0 GGADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738928956 599860269 /nfs/dbraw/zinc/86/02/69/599860269.db2.gz VZVMVTJDSQASMI-MRXNPFEDSA-N -1 3 376.888 3.434 20 0 GGADHM Cc1ccc(C)c(OC[C@H](O)CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1C ZINC000567596159 599865829 /nfs/dbraw/zinc/86/58/29/599865829.db2.gz ZAZFQCSQBIRGDI-QGZVFWFLSA-N -1 3 393.430 3.217 20 0 GGADHM Cc1ccc(C)c(OC[C@@H](O)CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1C ZINC000567596158 599865959 /nfs/dbraw/zinc/86/59/59/599865959.db2.gz ZAZFQCSQBIRGDI-KRWDZBQOSA-N -1 3 393.430 3.217 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000819996826 607405041 /nfs/dbraw/zinc/40/50/41/607405041.db2.gz KJBUSZFOGWWZQQ-UHFFFAOYSA-N -1 3 391.475 3.163 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000819996826 607405043 /nfs/dbraw/zinc/40/50/43/607405043.db2.gz KJBUSZFOGWWZQQ-UHFFFAOYSA-N -1 3 391.475 3.163 20 0 GGADHM Cc1ccccc1C1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)CCOCC1 ZINC000826253696 607405180 /nfs/dbraw/zinc/40/51/80/607405180.db2.gz ZJQVAQYUCDLCMC-UHFFFAOYSA-N -1 3 392.459 3.275 20 0 GGADHM Cc1ccccc1C1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)CCOCC1 ZINC000826253696 607405181 /nfs/dbraw/zinc/40/51/81/607405181.db2.gz ZJQVAQYUCDLCMC-UHFFFAOYSA-N -1 3 392.459 3.275 20 0 GGADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000819817482 607406354 /nfs/dbraw/zinc/40/63/54/607406354.db2.gz IKRIXKYIKVMVEN-UHFFFAOYSA-N -1 3 398.398 3.004 20 0 GGADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000819817482 607406356 /nfs/dbraw/zinc/40/63/56/607406356.db2.gz IKRIXKYIKVMVEN-UHFFFAOYSA-N -1 3 398.398 3.004 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1-c1nnn[n-]1 ZINC000820161033 607406744 /nfs/dbraw/zinc/40/67/44/607406744.db2.gz SMRVELPMWBMTEJ-CYBMUJFWSA-N -1 3 391.435 3.203 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1-c1nn[n-]n1 ZINC000820161033 607406746 /nfs/dbraw/zinc/40/67/46/607406746.db2.gz SMRVELPMWBMTEJ-CYBMUJFWSA-N -1 3 391.435 3.203 20 0 GGADHM CCc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000821461189 607407621 /nfs/dbraw/zinc/40/76/21/607407621.db2.gz MBVQCFUIBONTDT-UHFFFAOYSA-N -1 3 396.451 3.308 20 0 GGADHM CCc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000821461189 607407622 /nfs/dbraw/zinc/40/76/22/607407622.db2.gz MBVQCFUIBONTDT-UHFFFAOYSA-N -1 3 396.451 3.308 20 0 GGADHM C[C@@H](CN(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579239 599950190 /nfs/dbraw/zinc/95/01/90/599950190.db2.gz RWGNMSWXNDQEGB-DJJJIMSYSA-N -1 3 390.480 3.278 20 0 GGADHM C[C@@H](CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579240 599950278 /nfs/dbraw/zinc/95/02/78/599950278.db2.gz RWGNMSWXNDQEGB-ORAYPTAESA-N -1 3 390.480 3.278 20 0 GGADHM CN(Cc1ccc(F)cc1C(=O)[O-])C[C@H](c1cccs1)N1CCOCC1 ZINC000737472446 599967880 /nfs/dbraw/zinc/96/78/80/599967880.db2.gz RVZVHEPQSUOJJG-QGZVFWFLSA-N -1 3 378.469 3.091 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc(Br)o1 ZINC000826253244 607409744 /nfs/dbraw/zinc/40/97/44/607409744.db2.gz JLQFACHHPYLRSB-FNORWQNLSA-N -1 3 389.209 3.287 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc(Br)o1 ZINC000826253244 607409745 /nfs/dbraw/zinc/40/97/45/607409745.db2.gz JLQFACHHPYLRSB-FNORWQNLSA-N -1 3 389.209 3.287 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=Cc1ccc(Cl)s1 ZINC000821741189 607410584 /nfs/dbraw/zinc/41/05/84/607410584.db2.gz IKXRKMFXUKTXCN-DAXSKMNVSA-N -1 3 376.825 3.347 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=Cc1ccc(Cl)s1 ZINC000821741189 607410586 /nfs/dbraw/zinc/41/05/86/607410586.db2.gz IKXRKMFXUKTXCN-DAXSKMNVSA-N -1 3 376.825 3.347 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127460 599993078 /nfs/dbraw/zinc/99/30/78/599993078.db2.gz KMNUJKAFPOLPFH-PXNSSMCTSA-N -1 3 385.460 3.360 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000826254055 607411440 /nfs/dbraw/zinc/41/14/40/607411440.db2.gz RIRLJYXQXZJUCK-UHFFFAOYSA-N -1 3 392.337 3.360 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000826254055 607411441 /nfs/dbraw/zinc/41/14/41/607411441.db2.gz RIRLJYXQXZJUCK-UHFFFAOYSA-N -1 3 392.337 3.360 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000821745487 607412279 /nfs/dbraw/zinc/41/22/79/607412279.db2.gz YLERVSNSYCABBE-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000821745487 607412280 /nfs/dbraw/zinc/41/22/80/607412280.db2.gz YLERVSNSYCABBE-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C2 ZINC000740204854 600012697 /nfs/dbraw/zinc/01/26/97/600012697.db2.gz WOIZNVUJRGGWRI-HXUWFJFHSA-N -1 3 379.460 3.247 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000826253439 607413391 /nfs/dbraw/zinc/41/33/91/607413391.db2.gz QGXGFCFQFXXRCM-UHFFFAOYSA-N -1 3 396.422 3.106 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000826253439 607413393 /nfs/dbraw/zinc/41/33/93/607413393.db2.gz QGXGFCFQFXXRCM-UHFFFAOYSA-N -1 3 396.422 3.106 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000737359600 600020894 /nfs/dbraw/zinc/02/08/94/600020894.db2.gz FBMPBVJJCQCXRA-SFHVURJKSA-N -1 3 387.505 3.429 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C2 ZINC000740204948 600021302 /nfs/dbraw/zinc/02/13/02/600021302.db2.gz ZOVVQFTULZMVOF-NRFANRHFSA-N -1 3 393.487 3.465 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000821745196 607414104 /nfs/dbraw/zinc/41/41/04/607414104.db2.gz JKMWOAYQXMFBAD-UHFFFAOYSA-N -1 3 396.451 3.061 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000821745196 607414106 /nfs/dbraw/zinc/41/41/06/607414106.db2.gz JKMWOAYQXMFBAD-UHFFFAOYSA-N -1 3 396.451 3.061 20 0 GGADHM CC[C@@H](C)N(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000736883897 600036923 /nfs/dbraw/zinc/03/69/23/600036923.db2.gz PMEUEBGPZUDYTG-DYESRHJHSA-N -1 3 380.488 3.325 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)CC1 ZINC000736475374 600043275 /nfs/dbraw/zinc/04/32/75/600043275.db2.gz UGYWKARRIACETM-UHFFFAOYSA-N -1 3 393.487 3.071 20 0 GGADHM CCc1ccc([C@@H](C)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737259422 600047481 /nfs/dbraw/zinc/04/74/81/600047481.db2.gz QPROUYUFMDWGGP-VFNWGFHPSA-N -1 3 393.487 3.193 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000739623097 600050487 /nfs/dbraw/zinc/05/04/87/600050487.db2.gz BOOOHSFMSDHJDY-TZIWHRDSSA-N -1 3 398.890 3.419 20 0 GGADHM Cc1ccc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)nc1 ZINC000822238619 607417352 /nfs/dbraw/zinc/41/73/52/607417352.db2.gz OIFHERWWGZWFQV-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1ccc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)nc1 ZINC000822238619 607417354 /nfs/dbraw/zinc/41/73/54/607417354.db2.gz OIFHERWWGZWFQV-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1cccc(C[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C(=O)[O-])c1 ZINC000738711164 600070870 /nfs/dbraw/zinc/07/08/70/600070870.db2.gz JCPOPJKSKAAYNS-OAQYLSRUSA-N -1 3 380.488 3.264 20 0 GGADHM COc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c(C(=O)[O-])c1 ZINC000738027470 600071946 /nfs/dbraw/zinc/07/19/46/600071946.db2.gz XIBKNHUPLHUSPV-OAHLLOKOSA-N -1 3 386.423 3.383 20 0 GGADHM COC(=O)c1cccc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000737708396 600081052 /nfs/dbraw/zinc/08/10/52/600081052.db2.gz KCYZBCVFLQMFQQ-GOSISDBHSA-N -1 3 392.249 3.325 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000740079353 600088006 /nfs/dbraw/zinc/08/80/06/600088006.db2.gz QARDQJJUJHDKMA-UHFFFAOYSA-N -1 3 391.830 3.423 20 0 GGADHM Cc1cccc(NC[C@@H]2CCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738736894 600094233 /nfs/dbraw/zinc/09/42/33/600094233.db2.gz YWDQLLPOCMJCFD-IRXDYDNUSA-N -1 3 396.491 3.158 20 0 GGADHM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCCc2ccccc2C1 ZINC000737505720 600094461 /nfs/dbraw/zinc/09/44/61/600094461.db2.gz OMFJPZKJUQIGNW-OAQYLSRUSA-N -1 3 391.471 3.170 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](CNc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738736413 600094913 /nfs/dbraw/zinc/09/49/13/600094913.db2.gz LHVPQSSFOHGXFP-CVEARBPZSA-N -1 3 384.480 3.038 20 0 GGADHM Cc1ccnc(NC[C@@H]2CCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)c1 ZINC000738797505 600095076 /nfs/dbraw/zinc/09/50/76/600095076.db2.gz ASBACQYTBHPHRS-IRXDYDNUSA-N -1 3 396.491 3.158 20 0 GGADHM Cc1ccnc(NC[C@@H]2CCN([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)c1 ZINC000738797508 600095558 /nfs/dbraw/zinc/09/55/58/600095558.db2.gz ASBACQYTBHPHRS-SJORKVTESA-N -1 3 396.491 3.158 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](CNc3cc(C)ccn3)C2)c(C)c1C(=O)[O-] ZINC000738798947 600096885 /nfs/dbraw/zinc/09/68/85/600096885.db2.gz VWYJCQWGEYAVGE-CVEARBPZSA-N -1 3 384.480 3.038 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421707 607420082 /nfs/dbraw/zinc/42/00/82/607420082.db2.gz VOOQQHXLCZKKRB-UHFFFAOYSA-N -1 3 392.850 3.349 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421707 607420084 /nfs/dbraw/zinc/42/00/84/607420084.db2.gz VOOQQHXLCZKKRB-UHFFFAOYSA-N -1 3 392.850 3.349 20 0 GGADHM CC[C@](NCCS(=O)(=O)c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000736919076 600130661 /nfs/dbraw/zinc/13/06/61/600130661.db2.gz XJFWRTLIEYUCGJ-GOSISDBHSA-N -1 3 381.881 3.093 20 0 GGADHM CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000463339529 600132298 /nfs/dbraw/zinc/13/22/98/600132298.db2.gz IXHWGNCXFHGHQY-WIYYLYMNSA-N -1 3 384.451 3.170 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000826428082 607423190 /nfs/dbraw/zinc/42/31/90/607423190.db2.gz NZAREOFOHNETAL-UHFFFAOYSA-N -1 3 388.475 3.276 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000826428082 607423191 /nfs/dbraw/zinc/42/31/91/607423191.db2.gz NZAREOFOHNETAL-UHFFFAOYSA-N -1 3 388.475 3.276 20 0 GGADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000821134096 607424678 /nfs/dbraw/zinc/42/46/78/607424678.db2.gz NSESNJVHHVSFNO-UHFFFAOYSA-N -1 3 396.426 3.385 20 0 GGADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000821134096 607424680 /nfs/dbraw/zinc/42/46/80/607424680.db2.gz NSESNJVHHVSFNO-UHFFFAOYSA-N -1 3 396.426 3.385 20 0 GGADHM C[C@H](CN(C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571105 600143371 /nfs/dbraw/zinc/14/33/71/600143371.db2.gz IGNORIHGGZEMBG-IIBYNOLFSA-N -1 3 393.487 3.457 20 0 GGADHM C[C@@H](CN(C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571100 600143606 /nfs/dbraw/zinc/14/36/06/600143606.db2.gz IGNORIHGGZEMBG-HRAATJIYSA-N -1 3 393.487 3.457 20 0 GGADHM CC(C)c1cccc(OCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000824347790 607425573 /nfs/dbraw/zinc/42/55/73/607425573.db2.gz NVOQOIYXFRMTPY-UHFFFAOYSA-N -1 3 377.448 3.174 20 0 GGADHM CC(C)c1cccc(OCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000824347790 607425575 /nfs/dbraw/zinc/42/55/75/607425575.db2.gz NVOQOIYXFRMTPY-UHFFFAOYSA-N -1 3 377.448 3.174 20 0 GGADHM CCCN(CCC(=O)N(C)CC(=O)[O-])[C@@H](C)c1ccccc1Br ZINC000737020348 600160229 /nfs/dbraw/zinc/16/02/29/600160229.db2.gz VNTSDUBHMVUKOL-ZDUSSCGKSA-N -1 3 385.302 3.155 20 0 GGADHM COc1ccccc1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821899442 607426762 /nfs/dbraw/zinc/42/67/62/607426762.db2.gz YZLDNBMAQWOQRC-UHFFFAOYSA-N -1 3 396.451 3.326 20 0 GGADHM COc1ccccc1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821899442 607426763 /nfs/dbraw/zinc/42/67/63/607426763.db2.gz YZLDNBMAQWOQRC-UHFFFAOYSA-N -1 3 396.451 3.326 20 0 GGADHM O=C(COc1cccc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826418358 607421217 /nfs/dbraw/zinc/42/12/17/607421217.db2.gz CEORXEGXHJBDLD-UHFFFAOYSA-N -1 3 385.427 3.204 20 0 GGADHM O=C(COc1cccc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826418358 607421218 /nfs/dbraw/zinc/42/12/18/607421218.db2.gz CEORXEGXHJBDLD-UHFFFAOYSA-N -1 3 385.427 3.204 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=S)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000739615780 600189364 /nfs/dbraw/zinc/18/93/64/600189364.db2.gz NNEZRGDUGNFPOJ-LJQANCHMSA-N -1 3 395.528 3.214 20 0 GGADHM O=C([O-])c1ccc(F)c(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000739234681 600193330 /nfs/dbraw/zinc/19/33/30/600193330.db2.gz UVAPILNBUGXVKH-UHFFFAOYSA-N -1 3 385.439 3.065 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000820001538 607421982 /nfs/dbraw/zinc/42/19/82/607421982.db2.gz RLRNCQPREQHACL-UHFFFAOYSA-N -1 3 389.419 3.053 20 0 GGADHM O=C([O-])c1cc(F)ccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000739234721 600195462 /nfs/dbraw/zinc/19/54/62/600195462.db2.gz WBPQNCUIVHODCS-UHFFFAOYSA-N -1 3 385.439 3.065 20 0 GGADHM O=C([O-])Nc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000740043211 600195476 /nfs/dbraw/zinc/19/54/76/600195476.db2.gz QPDGOJFXONZYDR-UHFFFAOYSA-N -1 3 382.464 3.317 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC(OC(C)C)CC2)cc1-c1nnn[n-]1 ZINC000820164030 607427337 /nfs/dbraw/zinc/42/73/37/607427337.db2.gz AURJQWZDFXSIIG-UHFFFAOYSA-N -1 3 388.472 3.075 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC(OC(C)C)CC2)cc1-c1nn[n-]n1 ZINC000820164030 607427338 /nfs/dbraw/zinc/42/73/38/607427338.db2.gz AURJQWZDFXSIIG-UHFFFAOYSA-N -1 3 388.472 3.075 20 0 GGADHM O=C([O-])c1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c(F)c1 ZINC000739231160 600201067 /nfs/dbraw/zinc/20/10/67/600201067.db2.gz BQSDPKWBHFSJLX-UHFFFAOYSA-N -1 3 385.439 3.065 20 0 GGADHM COCc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821695097 607428434 /nfs/dbraw/zinc/42/84/34/607428434.db2.gz JNZNEVXZJWIYOL-UHFFFAOYSA-N -1 3 396.451 3.122 20 0 GGADHM COCc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821695097 607428436 /nfs/dbraw/zinc/42/84/36/607428436.db2.gz JNZNEVXZJWIYOL-UHFFFAOYSA-N -1 3 396.451 3.122 20 0 GGADHM CN(C)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000737355991 600208460 /nfs/dbraw/zinc/20/84/60/600208460.db2.gz HURGPUIURPRCQL-MRXNPFEDSA-N -1 3 380.366 3.323 20 0 GGADHM CN(Cc1cccc(C(=O)NCc2ccco2)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737486627 600216094 /nfs/dbraw/zinc/21/60/94/600216094.db2.gz DQDYYWDYZBSFPX-FQEVSTJZSA-N -1 3 378.428 3.467 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000820165340 607429045 /nfs/dbraw/zinc/42/90/45/607429045.db2.gz OVLLIWLFSFLUSI-CYBMUJFWSA-N -1 3 398.471 3.314 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000820165340 607429046 /nfs/dbraw/zinc/42/90/46/607429046.db2.gz OVLLIWLFSFLUSI-CYBMUJFWSA-N -1 3 398.471 3.314 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000263578120 600231304 /nfs/dbraw/zinc/23/13/04/600231304.db2.gz SHPYCHVUKHWQAL-HNNXBMFYSA-N -1 3 383.366 3.275 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1-c1nnn[n-]1 ZINC000820166660 607430920 /nfs/dbraw/zinc/43/09/20/607430920.db2.gz ZBEDWAIYVIXFCB-UHFFFAOYSA-N -1 3 396.426 3.383 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1-c1nn[n-]n1 ZINC000820166660 607430922 /nfs/dbraw/zinc/43/09/22/607430922.db2.gz ZBEDWAIYVIXFCB-UHFFFAOYSA-N -1 3 396.426 3.383 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1-c1nnn[n-]1 ZINC000820164065 607431931 /nfs/dbraw/zinc/43/19/31/607431931.db2.gz BUGABMPENJRQSW-MRXNPFEDSA-N -1 3 394.435 3.299 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000820164065 607431933 /nfs/dbraw/zinc/43/19/33/607431933.db2.gz BUGABMPENJRQSW-MRXNPFEDSA-N -1 3 394.435 3.299 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000574863088 600263584 /nfs/dbraw/zinc/26/35/84/600263584.db2.gz FGHDJEWFLWAGDH-ZRGWGRIASA-N -1 3 384.451 3.407 20 0 GGADHM C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000736203635 600266904 /nfs/dbraw/zinc/26/69/04/600266904.db2.gz DXVQGPPHRZKEEB-PXNSSMCTSA-N -1 3 384.520 3.043 20 0 GGADHM O=C([O-])c1cn(CC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc12 ZINC000739356566 600273244 /nfs/dbraw/zinc/27/32/44/600273244.db2.gz KFTBGOYYNUAALD-QGZVFWFLSA-N -1 3 378.428 3.157 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)no1 ZINC000822198847 607434172 /nfs/dbraw/zinc/43/41/72/607434172.db2.gz MBQCUIHEGYPMJB-INIZCTEOSA-N -1 3 397.439 3.319 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)no1 ZINC000822198847 607434174 /nfs/dbraw/zinc/43/41/74/607434174.db2.gz MBQCUIHEGYPMJB-INIZCTEOSA-N -1 3 397.439 3.319 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604895 600280649 /nfs/dbraw/zinc/28/06/49/600280649.db2.gz PXZFWIXGLBRBHB-VQIMIIECSA-N -1 3 382.435 3.253 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737368167 600289866 /nfs/dbraw/zinc/28/98/66/600289866.db2.gz YNNLMGQTWSRUOQ-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM COCCN(C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000821688335 607435117 /nfs/dbraw/zinc/43/51/17/607435117.db2.gz HMRAUKORJNSLCO-UHFFFAOYSA-N -1 3 388.472 3.077 20 0 GGADHM COCCN(C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000821688335 607435119 /nfs/dbraw/zinc/43/51/19/607435119.db2.gz HMRAUKORJNSLCO-UHFFFAOYSA-N -1 3 388.472 3.077 20 0 GGADHM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736634614 600303176 /nfs/dbraw/zinc/30/31/76/600303176.db2.gz ZEHTWOUSOHABMQ-RZQQEMMASA-N -1 3 384.520 3.318 20 0 GGADHM O=C([O-])c1cccc(NC(=O)CN(Cc2ccccc2)CC2CCOCC2)c1 ZINC000739275751 600330945 /nfs/dbraw/zinc/33/09/45/600330945.db2.gz YUHSNOQXQXTPJC-UHFFFAOYSA-N -1 3 382.460 3.252 20 0 GGADHM CN(C(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829415 607437493 /nfs/dbraw/zinc/43/74/93/607437493.db2.gz FCYGJCYQWWNMSJ-UHFFFAOYSA-N -1 3 378.417 3.392 20 0 GGADHM CN(C(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829415 607437495 /nfs/dbraw/zinc/43/74/95/607437495.db2.gz FCYGJCYQWWNMSJ-UHFFFAOYSA-N -1 3 378.417 3.392 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736599206 600346090 /nfs/dbraw/zinc/34/60/90/600346090.db2.gz ROZMDLRZLYVRSZ-MRXNPFEDSA-N -1 3 384.480 3.438 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725254 600350393 /nfs/dbraw/zinc/35/03/93/600350393.db2.gz UALWOKZHFSKRHL-DNVCBOLYSA-N -1 3 382.464 3.411 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725252 600350503 /nfs/dbraw/zinc/35/05/03/600350503.db2.gz UALWOKZHFSKRHL-BEFAXECRSA-N -1 3 382.464 3.411 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)N2CCCC2)cc1 ZINC000738562384 600350591 /nfs/dbraw/zinc/35/05/91/600350591.db2.gz WCTZOZBSPXPVIU-RBUKOAKNSA-N -1 3 385.508 3.028 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)N2CCCC2)cc1 ZINC000738562375 600350785 /nfs/dbraw/zinc/35/07/85/600350785.db2.gz WCTZOZBSPXPVIU-MOPGFXCFSA-N -1 3 385.508 3.028 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC[NH+]2CCCC2)cc1 ZINC000738546120 600361124 /nfs/dbraw/zinc/36/11/24/600361124.db2.gz GUJNCDVKSCSRAC-UHFFFAOYSA-N -1 3 388.489 3.132 20 0 GGADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1cccc(Cl)c1 ZINC000826234281 607439298 /nfs/dbraw/zinc/43/92/98/607439298.db2.gz ORYCKTWJWLPRPF-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1cccc(Cl)c1 ZINC000826234281 607439300 /nfs/dbraw/zinc/43/93/00/607439300.db2.gz ORYCKTWJWLPRPF-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM C[C@H](CN(C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125828 600373547 /nfs/dbraw/zinc/37/35/47/600373547.db2.gz COZQVXMOKCKQFE-VQIMIIECSA-N -1 3 393.487 3.069 20 0 GGADHM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)N(C)Cc1ccccc1 ZINC000390516676 600379646 /nfs/dbraw/zinc/37/96/46/600379646.db2.gz DGBZIINEEWCTPE-LBPRGKRZSA-N -1 3 377.391 3.305 20 0 GGADHM COC(=O)c1cc(NC(=O)c2oc3ccccc3c2CN(C)C)cc(C(=O)[O-])c1 ZINC000737665135 600382582 /nfs/dbraw/zinc/38/25/82/600382582.db2.gz MDKAVVOOARFTMM-UHFFFAOYSA-N -1 3 396.399 3.232 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737370750 600388113 /nfs/dbraw/zinc/38/81/13/600388113.db2.gz SDUAEWJTIKZRSH-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM C[C@@H]1CCCN(C(=O)C2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000736788636 600400276 /nfs/dbraw/zinc/40/02/76/600400276.db2.gz FSYRCFXQVCESDD-RDTXWAMCSA-N -1 3 378.900 3.436 20 0 GGADHM C[C@H]1CCCN(C(=O)C2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000736788632 600400280 /nfs/dbraw/zinc/40/02/80/600400280.db2.gz FSYRCFXQVCESDD-KBXCAEBGSA-N -1 3 378.900 3.436 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737370332 600401261 /nfs/dbraw/zinc/40/12/61/600401261.db2.gz OROGBKIODPAVHG-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccccc1 ZINC000737357545 600404475 /nfs/dbraw/zinc/40/44/75/600404475.db2.gz CKJJVZYZZLRGRQ-HNNXBMFYSA-N -1 3 393.390 3.411 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000740017630 600411087 /nfs/dbraw/zinc/41/10/87/600411087.db2.gz RADMFHYKVWFEQT-GOSISDBHSA-N -1 3 399.466 3.487 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(-c2ccco2)nc2ccccn21 ZINC000826249741 607443893 /nfs/dbraw/zinc/44/38/93/607443893.db2.gz RXBOCCMRRIMWBR-UHFFFAOYSA-N -1 3 385.387 3.335 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c(-c2ccco2)nc2ccccn21 ZINC000826249741 607443895 /nfs/dbraw/zinc/44/38/95/607443895.db2.gz RXBOCCMRRIMWBR-UHFFFAOYSA-N -1 3 385.387 3.335 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1cccs1)CC(F)(F)F ZINC000826244044 607444141 /nfs/dbraw/zinc/44/41/41/607444141.db2.gz FRAOLPDULQAMMX-UHFFFAOYSA-N -1 3 381.383 3.441 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1cccs1)CC(F)(F)F ZINC000826244044 607444144 /nfs/dbraw/zinc/44/41/44/607444144.db2.gz FRAOLPDULQAMMX-UHFFFAOYSA-N -1 3 381.383 3.441 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000736465939 600446257 /nfs/dbraw/zinc/44/62/57/600446257.db2.gz PAELLXRJNBCMAA-OAQYLSRUSA-N -1 3 380.488 3.346 20 0 GGADHM C[C@@H](CCc1ccccc1)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824407857 607446066 /nfs/dbraw/zinc/44/60/66/607446066.db2.gz ZOFGLNKSMDLPIF-HNNXBMFYSA-N -1 3 376.464 3.176 20 0 GGADHM C[C@@H](CCc1ccccc1)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824407857 607446067 /nfs/dbraw/zinc/44/60/67/607446067.db2.gz ZOFGLNKSMDLPIF-HNNXBMFYSA-N -1 3 376.464 3.176 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000738760324 600470520 /nfs/dbraw/zinc/47/05/20/600470520.db2.gz ILBPWKKHMXGZSX-WEYGHZABSA-N -1 3 392.499 3.211 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)o1 ZINC000740125870 600480333 /nfs/dbraw/zinc/48/03/33/600480333.db2.gz RUPIYVKKGMXDOO-SFHVURJKSA-N -1 3 396.365 3.049 20 0 GGADHM COc1ccc(C)cc1[C@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826189979 607446968 /nfs/dbraw/zinc/44/69/68/607446968.db2.gz LMRQYNIIRLDWRV-AWEZNQCLSA-N -1 3 392.463 3.233 20 0 GGADHM COc1ccc(C)cc1[C@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826189979 607446970 /nfs/dbraw/zinc/44/69/70/607446970.db2.gz LMRQYNIIRLDWRV-AWEZNQCLSA-N -1 3 392.463 3.233 20 0 GGADHM CCc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825704624 607447030 /nfs/dbraw/zinc/44/70/30/607447030.db2.gz KSZHLOSNOKOZTL-CQSZACIVSA-N -1 3 376.464 3.479 20 0 GGADHM CCc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825704624 607447032 /nfs/dbraw/zinc/44/70/32/607447032.db2.gz KSZHLOSNOKOZTL-CQSZACIVSA-N -1 3 376.464 3.479 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000262970073 600486534 /nfs/dbraw/zinc/48/65/34/600486534.db2.gz JUNVAQSAZGWRON-CVEARBPZSA-N -1 3 379.526 3.027 20 0 GGADHM CN(C)CCN(CC1CCCCC1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000737370826 600487484 /nfs/dbraw/zinc/48/74/84/600487484.db2.gz WGGYTSIMJQXGGZ-UHFFFAOYSA-N -1 3 375.513 3.081 20 0 GGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)ccc1F ZINC000824497946 607447845 /nfs/dbraw/zinc/44/78/45/607447845.db2.gz APDRZHNZEKTIGY-LLVKDONJSA-N -1 3 384.390 3.194 20 0 GGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)ccc1F ZINC000824497946 607447846 /nfs/dbraw/zinc/44/78/46/607447846.db2.gz APDRZHNZEKTIGY-LLVKDONJSA-N -1 3 384.390 3.194 20 0 GGADHM O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000739686851 600495972 /nfs/dbraw/zinc/49/59/72/600495972.db2.gz VRUOZWFIEYXIQF-SFHVURJKSA-N -1 3 397.475 3.176 20 0 GGADHM CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819810744 607448772 /nfs/dbraw/zinc/44/87/72/607448772.db2.gz OMLQCOJHVYYLLC-UHFFFAOYSA-N -1 3 394.435 3.173 20 0 GGADHM CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819810744 607448773 /nfs/dbraw/zinc/44/87/73/607448773.db2.gz OMLQCOJHVYYLLC-UHFFFAOYSA-N -1 3 394.435 3.173 20 0 GGADHM O=C(NCCCCc1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826436425 607449289 /nfs/dbraw/zinc/44/92/89/607449289.db2.gz SLSXBUZUXYLPQB-UHFFFAOYSA-N -1 3 376.464 3.178 20 0 GGADHM O=C(NCCCCc1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826436425 607449290 /nfs/dbraw/zinc/44/92/90/607449290.db2.gz SLSXBUZUXYLPQB-UHFFFAOYSA-N -1 3 376.464 3.178 20 0 GGADHM O=C([O-])CCN(Cc1cccc(C(=O)Nc2ccccc2)c1)C[C@@H]1CCCO1 ZINC000739723541 600512435 /nfs/dbraw/zinc/51/24/35/600512435.db2.gz LZJQJQSAXQFQNN-FQEVSTJZSA-N -1 3 382.460 3.395 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000736660773 600521415 /nfs/dbraw/zinc/52/14/15/600521415.db2.gz BTYGPELQMVLKLI-OLZOCXBDSA-N -1 3 392.402 3.342 20 0 GGADHM CC1CCN([C@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)c2cccs2)CC1 ZINC000736798554 600526853 /nfs/dbraw/zinc/52/68/53/600526853.db2.gz ZCVOPBXUMONPEI-OAHLLOKOSA-N -1 3 391.493 3.312 20 0 GGADHM O=C([O-])c1cn(CC(=O)N(CCN2CCCC2)c2ccccc2)c2ccccc12 ZINC000740254582 600530780 /nfs/dbraw/zinc/53/07/80/600530780.db2.gz YAVYWWACFBJHEF-UHFFFAOYSA-N -1 3 391.471 3.469 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C2 ZINC000740203517 600534893 /nfs/dbraw/zinc/53/48/93/600534893.db2.gz NYYNLHNBQZIGLS-FQEVSTJZSA-N -1 3 379.460 3.075 20 0 GGADHM O=C([O-])c1cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c(F)cc1F ZINC000739406073 600541253 /nfs/dbraw/zinc/54/12/53/600541253.db2.gz AWABILDCIRDQHY-CQSZACIVSA-N -1 3 389.402 3.449 20 0 GGADHM CCCC[C@H](C(=O)[O-])N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000736979984 600546490 /nfs/dbraw/zinc/54/64/90/600546490.db2.gz ROPYIODVYGGTEJ-ZIAGYGMSSA-N -1 3 378.498 3.120 20 0 GGADHM CC(C)COc1cccc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820102951 607453977 /nfs/dbraw/zinc/45/39/77/607453977.db2.gz MOOFLDZCNSIHDZ-HNNXBMFYSA-N -1 3 395.463 3.158 20 0 GGADHM CC(C)COc1cccc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820102951 607453979 /nfs/dbraw/zinc/45/39/79/607453979.db2.gz MOOFLDZCNSIHDZ-HNNXBMFYSA-N -1 3 395.463 3.158 20 0 GGADHM O=C([O-])Nc1ccccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000740045608 600572038 /nfs/dbraw/zinc/57/20/38/600572038.db2.gz ICKPQXIWIQGSSI-UHFFFAOYSA-N -1 3 396.491 3.109 20 0 GGADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000736489201 600585529 /nfs/dbraw/zinc/58/55/29/600585529.db2.gz WPXYVNNASLPBEI-UHFFFAOYSA-N -1 3 390.480 3.146 20 0 GGADHM Cc1cccc([C@H](C)CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826295988 607457383 /nfs/dbraw/zinc/45/73/83/607457383.db2.gz GBNYLOLKUXTTIP-OAHLLOKOSA-N -1 3 376.464 3.267 20 0 GGADHM Cc1cccc([C@H](C)CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826295988 607457384 /nfs/dbraw/zinc/45/73/84/607457384.db2.gz GBNYLOLKUXTTIP-OAHLLOKOSA-N -1 3 376.464 3.267 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000737370365 600662618 /nfs/dbraw/zinc/66/26/18/600662618.db2.gz IDJZIZKSYPOTAH-INIZCTEOSA-N -1 3 391.265 3.066 20 0 GGADHM CC(C)N1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000736473815 600686256 /nfs/dbraw/zinc/68/62/56/600686256.db2.gz JNEJDTFTMHIRGT-UHFFFAOYSA-N -1 3 378.270 3.226 20 0 GGADHM O=C([O-])c1cc(N2CCN3CCCC[C@H]3C2)c2cc(Br)ccc2n1 ZINC000740080655 600707533 /nfs/dbraw/zinc/70/75/33/600707533.db2.gz GDPWABLYUUFTSG-ZDUSSCGKSA-N -1 3 390.281 3.370 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCc1nc(-c2ccccc2)no1 ZINC000736822398 600712780 /nfs/dbraw/zinc/71/27/80/600712780.db2.gz HWGKKEGZZMZAGD-INIZCTEOSA-N -1 3 392.459 3.188 20 0 GGADHM CCN1CC[C@H](N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[C@@H]1C ZINC000737111754 600725002 /nfs/dbraw/zinc/72/50/02/600725002.db2.gz DHBIUYSHRJHCJE-STQMWFEESA-N -1 3 396.534 3.093 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CN[C@H](C(=O)[O-])c3ccccc3F)cc2)C[C@@H](C)O1 ZINC000828455783 600736943 /nfs/dbraw/zinc/73/69/43/600736943.db2.gz GQBFHSIQBSCHSU-ZOCZFRKYSA-N -1 3 386.467 3.350 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736815887 600744792 /nfs/dbraw/zinc/74/47/92/600744792.db2.gz ZKOLTQQKOXRBNC-QGZVFWFLSA-N -1 3 381.476 3.442 20 0 GGADHM CC(C)c1nnc2n1C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827175270 600745129 /nfs/dbraw/zinc/74/51/29/600745129.db2.gz JUWOKTTYEFXACB-XHDPSFHLSA-N -1 3 383.279 3.439 20 0 GGADHM CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827158849 600748462 /nfs/dbraw/zinc/74/84/62/600748462.db2.gz RWOZZHDYYVERCR-XHDPSFHLSA-N -1 3 383.279 3.439 20 0 GGADHM CC(C)c1nc2n(n1)C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827158848 600748822 /nfs/dbraw/zinc/74/88/22/600748822.db2.gz RWOZZHDYYVERCR-NHYWBVRUSA-N -1 3 383.279 3.439 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000382616278 600750725 /nfs/dbraw/zinc/75/07/25/600750725.db2.gz QMLZQKGPKCOTRW-SFHVURJKSA-N -1 3 375.513 3.328 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263512527 600750908 /nfs/dbraw/zinc/75/09/08/600750908.db2.gz ZGKWLDYVRHYHCX-OAHLLOKOSA-N -1 3 390.505 3.266 20 0 GGADHM O=C([O-])[C@H](N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1F ZINC000833166049 600752028 /nfs/dbraw/zinc/75/20/28/600752028.db2.gz FFIFCZYUIOJUMG-YVEFUNNKSA-N -1 3 380.366 3.421 20 0 GGADHM Cn1cc(N2CCC[C@H](N[C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833044467 600755653 /nfs/dbraw/zinc/75/56/53/600755653.db2.gz AYPDUODKLKJGGV-LRDDRELGSA-N -1 3 383.279 3.111 20 0 GGADHM O=C([O-])[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1cccc(Cl)c1 ZINC000833167825 600761486 /nfs/dbraw/zinc/76/14/86/600761486.db2.gz QHJLHPPIBZPAGY-FTEYMNFISA-N -1 3 384.863 3.212 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)cc2)CC1 ZINC000829780812 600762015 /nfs/dbraw/zinc/76/20/15/600762015.db2.gz LMLQYJABEDOEOT-GOSISDBHSA-N -1 3 393.487 3.047 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)cc2)CC1 ZINC000829780813 600762121 /nfs/dbraw/zinc/76/21/21/600762121.db2.gz LMLQYJABEDOEOT-SFHVURJKSA-N -1 3 393.487 3.047 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)c1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000823675455 607468746 /nfs/dbraw/zinc/46/87/46/607468746.db2.gz WYECETAXCDANBP-INIZCTEOSA-N -1 3 378.461 3.063 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)c1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000823675455 607468748 /nfs/dbraw/zinc/46/87/48/607468748.db2.gz WYECETAXCDANBP-INIZCTEOSA-N -1 3 378.461 3.063 20 0 GGADHM Cc1cccc(NC2CCN(C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738735645 600796881 /nfs/dbraw/zinc/79/68/81/600796881.db2.gz FFJFAVVFPWPTNI-HXUWFJFHSA-N -1 3 384.476 3.009 20 0 GGADHM Cc1cc(CN[C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000832882375 600809749 /nfs/dbraw/zinc/80/97/49/600809749.db2.gz FVTHTNRZLMAMGP-LPHOPBHVSA-N -1 3 382.460 3.050 20 0 GGADHM CCCCNC(=O)[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829395002 600822191 /nfs/dbraw/zinc/82/21/91/600822191.db2.gz DAMNQOFGXMOALQ-OAHLLOKOSA-N -1 3 382.888 3.045 20 0 GGADHM Cc1cnn(CC2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)CC2)c1 ZINC000832986169 600827282 /nfs/dbraw/zinc/82/72/82/600827282.db2.gz BPRWJYYNRYYIOA-UHFFFAOYSA-N -1 3 377.872 3.334 20 0 GGADHM O=C([O-])c1ccc(OCCN2CC[C@@H](CNc3ccccn3)C2)c(Cl)c1 ZINC000833321156 600832215 /nfs/dbraw/zinc/83/22/15/600832215.db2.gz KDYCIQMWSBQOFB-AWEZNQCLSA-N -1 3 375.856 3.246 20 0 GGADHM O=C([O-])c1ccc(OCCN2CC[C@H](CNc3ccccn3)C2)c(Cl)c1 ZINC000833321157 600832353 /nfs/dbraw/zinc/83/23/53/600832353.db2.gz KDYCIQMWSBQOFB-CQSZACIVSA-N -1 3 375.856 3.246 20 0 GGADHM O=C([O-])[C@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000164620216 600845221 /nfs/dbraw/zinc/84/52/21/600845221.db2.gz ZCGJKOJYKYGUBX-KRWDZBQOSA-N -1 3 376.472 3.284 20 0 GGADHM Cc1nsc(N2CCCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)n1 ZINC000833024299 600848655 /nfs/dbraw/zinc/84/86/55/600848655.db2.gz YDEPPTFDNQZRDL-UHFFFAOYSA-N -1 3 388.518 3.472 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000831918109 600863150 /nfs/dbraw/zinc/86/31/50/600863150.db2.gz LHUJQTCLJHKUPY-UAGQMJEPSA-N -1 3 389.448 3.199 20 0 GGADHM C[C@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000827718735 600864369 /nfs/dbraw/zinc/86/43/69/600864369.db2.gz XCTUOSLGSKTYLG-KXBFYZLASA-N -1 3 390.505 3.194 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000830620212 600883347 /nfs/dbraw/zinc/88/33/47/600883347.db2.gz RPWJBUKYTPWVHV-UHFFFAOYSA-N -1 3 378.388 3.321 20 0 GGADHM CN(C(=O)c1ccccc1SCc1occc1C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000737519192 600929274 /nfs/dbraw/zinc/92/92/74/600929274.db2.gz HQEWDMJLKBDPLA-AWEZNQCLSA-N -1 3 388.489 3.436 20 0 GGADHM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(CN3CCCC3)c2)c1OC ZINC000737855174 600931211 /nfs/dbraw/zinc/93/12/11/600931211.db2.gz CDQFJSIZMKWDBG-UHFFFAOYSA-N -1 3 384.432 3.250 20 0 GGADHM Fc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)c2cccnc2)cc1 ZINC000822767120 607481148 /nfs/dbraw/zinc/48/11/48/607481148.db2.gz XJRHXNTZFFKLRY-LJQANCHMSA-N -1 3 378.386 3.419 20 0 GGADHM Fc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)c2cccnc2)cc1 ZINC000822767120 607481150 /nfs/dbraw/zinc/48/11/50/607481150.db2.gz XJRHXNTZFFKLRY-LJQANCHMSA-N -1 3 378.386 3.419 20 0 GGADHM O=C([O-])c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1Cl ZINC000833099486 600960071 /nfs/dbraw/zinc/96/00/71/600960071.db2.gz BSIFICDQIHQKIV-UHFFFAOYSA-N -1 3 387.867 3.189 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)cc2)CC1 ZINC000829781460 600962715 /nfs/dbraw/zinc/96/27/15/600962715.db2.gz XKSIGZMHLGWPLB-UHFFFAOYSA-N -1 3 387.867 3.432 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000737863421 600978729 /nfs/dbraw/zinc/97/87/29/600978729.db2.gz ODWLTHIWLUTZJV-SJORKVTESA-N -1 3 389.448 3.262 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000737863410 600978777 /nfs/dbraw/zinc/97/87/77/600978777.db2.gz ODWLTHIWLUTZJV-DLBZAZTESA-N -1 3 389.448 3.262 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000736810234 600981338 /nfs/dbraw/zinc/98/13/38/600981338.db2.gz SWWSTSVSGVKYCW-YHYVQYDKSA-N -1 3 392.499 3.150 20 0 GGADHM CCc1[nH]c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000830184186 600984089 /nfs/dbraw/zinc/98/40/89/600984089.db2.gz VVRNYUNIJYCUTB-KRWDZBQOSA-N -1 3 383.492 3.320 20 0 GGADHM CCc1[nH]c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000830184187 600984151 /nfs/dbraw/zinc/98/41/51/600984151.db2.gz VVRNYUNIJYCUTB-QGZVFWFLSA-N -1 3 383.492 3.320 20 0 GGADHM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830472724 600984262 /nfs/dbraw/zinc/98/42/62/600984262.db2.gz YTCKNGRMYFMBOT-NRFANRHFSA-N -1 3 380.488 3.440 20 0 GGADHM Cc1ccc(C(=O)NC2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)s1 ZINC000832910966 600993841 /nfs/dbraw/zinc/99/38/41/600993841.db2.gz DWMNQHMKUDERFG-KRWDZBQOSA-N -1 3 376.453 3.216 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000832252310 601005113 /nfs/dbraw/zinc/00/51/13/601005113.db2.gz LLFVHZMXCSDSOO-OAHLLOKOSA-N -1 3 397.212 3.215 20 0 GGADHM CCC[C@](C)(NCc1csc(CC(=O)Nc2ccc(C)cc2)n1)C(=O)[O-] ZINC000829202770 601007660 /nfs/dbraw/zinc/00/76/60/601007660.db2.gz RRLYMUDFEQKZRQ-IBGZPJMESA-N -1 3 375.494 3.366 20 0 GGADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000833169440 601011600 /nfs/dbraw/zinc/01/16/00/601011600.db2.gz BJEFVKXYDZPOLT-WBMJQRKESA-N -1 3 385.291 3.454 20 0 GGADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000833169438 601011650 /nfs/dbraw/zinc/01/16/50/601011650.db2.gz BJEFVKXYDZPOLT-MLGOLLRUSA-N -1 3 385.291 3.454 20 0 GGADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCN(CC2CCOCC2)CC1 ZINC000833170116 601014084 /nfs/dbraw/zinc/01/40/84/601014084.db2.gz FJXXGJJQHWCCPX-QGZVFWFLSA-N -1 3 387.307 3.163 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828276387 601017888 /nfs/dbraw/zinc/01/78/88/601017888.db2.gz BRJUZODJNVTVSS-QGZVFWFLSA-N -1 3 397.475 3.278 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000828193333 601024457 /nfs/dbraw/zinc/02/44/57/601024457.db2.gz WRAAZAHFHYYKQD-CSBVUPFYSA-N -1 3 378.469 3.100 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H](N(C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843028 601042038 /nfs/dbraw/zinc/04/20/38/601042038.db2.gz OUIRFONKVGQCEO-AEFFLSMTSA-N -1 3 383.492 3.107 20 0 GGADHM O=C([O-])c1cnc(N(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)C2CC2)s1 ZINC000740254702 601042161 /nfs/dbraw/zinc/04/21/61/601042161.db2.gz QACHPGNXCALUPP-OAHLLOKOSA-N -1 3 385.489 3.249 20 0 GGADHM O=C([O-])CCN(CC(=O)Nc1ccccc1Cc1ccccc1)C1CCOCC1 ZINC000565892785 601046613 /nfs/dbraw/zinc/04/66/13/601046613.db2.gz VETBWRFNCONGPQ-UHFFFAOYSA-N -1 3 396.487 3.172 20 0 GGADHM O=C([O-])CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCOCC1 ZINC000833248885 601046805 /nfs/dbraw/zinc/04/68/05/601046805.db2.gz AZZXIDWSLQPYMG-UHFFFAOYSA-N -1 3 399.472 3.130 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000832915181 601047463 /nfs/dbraw/zinc/04/74/63/601047463.db2.gz HYVOHEFSWAGHBO-GOSISDBHSA-N -1 3 395.503 3.228 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832842790 601047568 /nfs/dbraw/zinc/04/75/68/601047568.db2.gz JKNCDHHJLGYTFD-YJBOKZPZSA-N -1 3 397.519 3.497 20 0 GGADHM Cc1[nH]c(C(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843716 601047824 /nfs/dbraw/zinc/04/78/24/601047824.db2.gz GAKNCCRSINDNJC-OAHLLOKOSA-N -1 3 383.492 3.109 20 0 GGADHM COc1ccc([C@H](N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C2CC2)cc1 ZINC000832245707 601053142 /nfs/dbraw/zinc/05/31/42/601053142.db2.gz OOIWLFQKGXIZKO-DLBZAZTESA-N -1 3 386.473 3.301 20 0 GGADHM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000736207264 601077184 /nfs/dbraw/zinc/07/71/84/601077184.db2.gz HLAGLMIUDYFPRW-PGRDOPGGSA-N -1 3 394.515 3.314 20 0 GGADHM C[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000736207266 601077197 /nfs/dbraw/zinc/07/71/97/601077197.db2.gz HLAGLMIUDYFPRW-XMSQKQJNSA-N -1 3 394.515 3.314 20 0 GGADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1C ZINC000821082095 607487624 /nfs/dbraw/zinc/48/76/24/607487624.db2.gz GLCNZOKSFBTILU-UHFFFAOYSA-N -1 3 385.476 3.372 20 0 GGADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1C ZINC000821082095 607487625 /nfs/dbraw/zinc/48/76/25/607487625.db2.gz GLCNZOKSFBTILU-UHFFFAOYSA-N -1 3 385.476 3.372 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000830582140 601094994 /nfs/dbraw/zinc/09/49/94/601094994.db2.gz YACLMOMDFXZIGO-IBGZPJMESA-N -1 3 383.492 3.343 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(Cc2ccccc2)CC[C@H]1C ZINC000832916734 601120139 /nfs/dbraw/zinc/12/01/39/601120139.db2.gz MTUINDPPAVQQGW-GOSISDBHSA-N -1 3 395.503 3.228 20 0 GGADHM CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830507542 601129380 /nfs/dbraw/zinc/12/93/80/601129380.db2.gz LKTZKXBPYXIVJA-LJQANCHMSA-N -1 3 397.475 3.278 20 0 GGADHM COC[C@@](C)(CC(=O)[O-])NCc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000831583983 601134621 /nfs/dbraw/zinc/13/46/21/601134621.db2.gz BPAZLDAFXLFZTA-OAQYLSRUSA-N -1 3 383.448 3.004 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000826054731 601202782 /nfs/dbraw/zinc/20/27/82/601202782.db2.gz PRSYTGIBFVRSLZ-PXAZEXFGSA-N -1 3 378.375 3.278 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000826051489 601203631 /nfs/dbraw/zinc/20/36/31/601203631.db2.gz CLAWLLUJIWZDFQ-VBKZILBWSA-N -1 3 397.500 3.007 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000826051862 601204587 /nfs/dbraw/zinc/20/45/87/601204587.db2.gz DHDXNLWCEIFMMX-SJKOYZFVSA-N -1 3 378.375 3.278 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000826051990 601204901 /nfs/dbraw/zinc/20/49/01/601204901.db2.gz GABCZWVTIZTRDQ-APPDUMDISA-N -1 3 387.436 3.426 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000826053554 601205867 /nfs/dbraw/zinc/20/58/67/601205867.db2.gz JLNNGZCVWXSRFM-IIBYNOLFSA-N -1 3 381.476 3.277 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000826053551 601206053 /nfs/dbraw/zinc/20/60/53/601206053.db2.gz JLNNGZCVWXSRFM-IERDGZPVSA-N -1 3 381.476 3.277 20 0 GGADHM CCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000829452448 601245816 /nfs/dbraw/zinc/24/58/16/601245816.db2.gz AXMVJFYSCPLLBN-IBGZPJMESA-N -1 3 381.476 3.297 20 0 GGADHM CC(C)OCCN1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000827027043 601311555 /nfs/dbraw/zinc/31/15/55/601311555.db2.gz CTEPCTCEMBQCAL-UHFFFAOYSA-N -1 3 383.876 3.049 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821756112 607500898 /nfs/dbraw/zinc/50/08/98/607500898.db2.gz LZTBIFKYNSTRAV-ZDUSSCGKSA-N -1 3 383.477 3.383 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821756112 607500899 /nfs/dbraw/zinc/50/08/99/607500899.db2.gz LZTBIFKYNSTRAV-ZDUSSCGKSA-N -1 3 383.477 3.383 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)N(C)C)cc1 ZINC000830238712 601343520 /nfs/dbraw/zinc/34/35/20/601343520.db2.gz TWQAEVCDVGCAOO-OAQYLSRUSA-N -1 3 393.487 3.321 20 0 GGADHM O=C([O-])c1cn(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc12 ZINC000833119723 601343718 /nfs/dbraw/zinc/34/37/18/601343718.db2.gz KAIXAZHRXPWCEX-NRFANRHFSA-N -1 3 391.471 3.293 20 0 GGADHM CN(C)CCN(C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CCCC1 ZINC000830604059 601364640 /nfs/dbraw/zinc/36/46/40/601364640.db2.gz FIIFEVGHWJUYHC-UHFFFAOYSA-N -1 3 388.512 3.323 20 0 GGADHM O=C([O-])Cc1ccccc1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000819626270 601367036 /nfs/dbraw/zinc/36/70/36/601367036.db2.gz NWAITMYXURQHMK-UHFFFAOYSA-N -1 3 383.517 3.265 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000830369375 601421948 /nfs/dbraw/zinc/42/19/48/601421948.db2.gz OJKYIPDSSLJQJM-LBPRGKRZSA-N -1 3 390.402 3.163 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000831573768 601487791 /nfs/dbraw/zinc/48/77/91/601487791.db2.gz VXZHBURFFSLNSC-GCJKJVERSA-N -1 3 390.524 3.117 20 0 GGADHM CCn1c2ccccc2c2cc(NC(=O)CN[C@@](C)(COC)CC(=O)[O-])ccc21 ZINC000830419940 601488557 /nfs/dbraw/zinc/48/85/57/601488557.db2.gz JJSZQZWZNTVPPO-JOCHJYFZSA-N -1 3 397.475 3.222 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421574 601522235 /nfs/dbraw/zinc/52/22/35/601522235.db2.gz HJFUETOQBHHYNU-GUXCAODWSA-N -1 3 382.460 3.245 20 0 GGADHM C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263306798 601522372 /nfs/dbraw/zinc/52/23/72/601522372.db2.gz HJFUETOQBHHYNU-JXXFODFXSA-N -1 3 382.460 3.245 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828420351 601527026 /nfs/dbraw/zinc/52/70/26/601527026.db2.gz CHCMNWUTDHGMOD-YWVKMMECSA-N -1 3 378.778 3.338 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421444 601529630 /nfs/dbraw/zinc/52/96/30/601529630.db2.gz FSORZJDXVRJCOV-IJEWVQPXSA-N -1 3 388.464 3.098 20 0 GGADHM O=C([O-])[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000833130867 601546701 /nfs/dbraw/zinc/54/67/01/601546701.db2.gz ZYHFZNZJIAIPEJ-XLIONFOSSA-N -1 3 378.428 3.453 20 0 GGADHM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000833196413 601568858 /nfs/dbraw/zinc/56/88/58/601568858.db2.gz SYHZTCCTOWPIEH-JIHKLPAASA-N -1 3 378.469 3.244 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1F ZINC000833315513 601620589 /nfs/dbraw/zinc/62/05/89/601620589.db2.gz XNBNOMOEEWJSNL-UHFFFAOYSA-N -1 3 388.414 3.191 20 0 GGADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1F ZINC000831385415 601629341 /nfs/dbraw/zinc/62/93/41/601629341.db2.gz VKGRLQFCORHZJC-OAHLLOKOSA-N -1 3 396.212 3.290 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000832945687 601651883 /nfs/dbraw/zinc/65/18/83/601651883.db2.gz HVVUBZAGCLMNBQ-BEFAXECRSA-N -1 3 383.448 3.003 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000826045199 601652807 /nfs/dbraw/zinc/65/28/07/601652807.db2.gz QKHDVGXBSKGSDE-ORAYPTAESA-N -1 3 392.858 3.489 20 0 GGADHM COc1ccccc1[C@H](C)N(C)C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832589810 601653685 /nfs/dbraw/zinc/65/36/85/601653685.db2.gz UCFFKCPRRFJNNI-XFQAVAEZSA-N -1 3 384.476 3.266 20 0 GGADHM COc1ccccc1[C@H](C)N(C)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832589804 601653787 /nfs/dbraw/zinc/65/37/87/601653787.db2.gz UCFFKCPRRFJNNI-CKJXQJPGSA-N -1 3 384.476 3.266 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000826054757 601654300 /nfs/dbraw/zinc/65/43/00/601654300.db2.gz QENMNRYKJXLOMW-GUYCJALGSA-N -1 3 381.881 3.165 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832862731 601675442 /nfs/dbraw/zinc/67/54/42/601675442.db2.gz DMQDTGDZBACMBJ-HXUWFJFHSA-N -1 3 396.487 3.161 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000830923214 601694087 /nfs/dbraw/zinc/69/40/87/601694087.db2.gz AVUQFFFMNLMXGA-UHFFFAOYSA-N -1 3 397.475 3.278 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830608599 601700723 /nfs/dbraw/zinc/70/07/23/601700723.db2.gz FHJCDDDIMYJDPB-UHFFFAOYSA-N -1 3 376.482 3.458 20 0 GGADHM CCSc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccn1 ZINC000830168698 601727622 /nfs/dbraw/zinc/72/76/22/601727622.db2.gz GDKHKXBIXDBLJN-OAQYLSRUSA-N -1 3 399.516 3.043 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827592911 601727861 /nfs/dbraw/zinc/72/78/61/601727861.db2.gz WKAQVQZRCQIJFJ-SBUREZEXSA-N -1 3 398.478 3.240 20 0 GGADHM C[C@H](Cc1cccc(F)c1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827585884 601727868 /nfs/dbraw/zinc/72/78/68/601727868.db2.gz CIWSKBUCZRGNPF-UZUQRXQVSA-N -1 3 398.478 3.240 20 0 GGADHM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827585881 601727874 /nfs/dbraw/zinc/72/78/74/601727874.db2.gz CIWSKBUCZRGNPF-HXOBKFHXSA-N -1 3 398.478 3.240 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3[nH]ccc3c2)CCCN(Cc2ccccc2)C1 ZINC000833129156 601730391 /nfs/dbraw/zinc/73/03/91/601730391.db2.gz VHBYPMCDUPJIEB-JOCHJYFZSA-N -1 3 377.444 3.017 20 0 GGADHM COc1cccc([C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832528408 601730621 /nfs/dbraw/zinc/73/06/21/601730621.db2.gz KGMBNTTXQGLZET-UZUQRXQVSA-N -1 3 396.487 3.034 20 0 GGADHM Cc1cccc(CCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832967602 601731363 /nfs/dbraw/zinc/73/13/63/601731363.db2.gz IDPXQFRDQGFFLK-QHCPKHFHSA-N -1 3 380.488 3.163 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC000833116694 601731527 /nfs/dbraw/zinc/73/15/27/601731527.db2.gz ADYILLIOKWGFLJ-NRFANRHFSA-N -1 3 386.879 3.118 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cc(Cl)c(Cl)[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128958 601731537 /nfs/dbraw/zinc/73/15/37/601731537.db2.gz PVWWJOLWLFWCGO-GOSISDBHSA-N -1 3 396.274 3.171 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3ncsc3c2)CCCN(Cc2ccccc2)C1 ZINC000833129261 601731658 /nfs/dbraw/zinc/73/16/58/601731658.db2.gz YPSWZFHKEIURRR-OAQYLSRUSA-N -1 3 395.484 3.146 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2coc3ccccc23)CCCN(Cc2ccccc2)C1 ZINC000833129275 601731740 /nfs/dbraw/zinc/73/17/40/601731740.db2.gz ZBWGBSXGRZBFAN-JOCHJYFZSA-N -1 3 378.428 3.282 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cc3ccsc3[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128857 601731920 /nfs/dbraw/zinc/73/19/20/601731920.db2.gz OIIXRIZBVQLDAW-HXUWFJFHSA-N -1 3 383.473 3.079 20 0 GGADHM CC(C)Oc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000827042650 601732360 /nfs/dbraw/zinc/73/23/60/601732360.db2.gz UXPOKATXIFEASN-QHCPKHFHSA-N -1 3 396.487 3.323 20 0 GGADHM Cn1ccc2c1cccc2C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833055399 601732875 /nfs/dbraw/zinc/73/28/75/601732875.db2.gz LUCAFLHXLWAIBG-QHCPKHFHSA-N -1 3 391.471 3.028 20 0 GGADHM O=C(CCCOc1ccccc1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833098332 601733181 /nfs/dbraw/zinc/73/31/81/601733181.db2.gz PAEJQQSDUDHSSX-QHCPKHFHSA-N -1 3 396.487 3.081 20 0 GGADHM O=C(CCCOc1ccccc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833098331 601733191 /nfs/dbraw/zinc/73/31/91/601733191.db2.gz PAEJQQSDUDHSSX-HSZRJFAPSA-N -1 3 396.487 3.081 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cc3ccccc3[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833129252 601733815 /nfs/dbraw/zinc/73/38/15/601733815.db2.gz YFBHVUKIUCYJSP-QFIPXVFZSA-N -1 3 377.444 3.017 20 0 GGADHM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827586688 601734021 /nfs/dbraw/zinc/73/40/21/601734021.db2.gz SSRGCKXTPKXALK-UZUQRXQVSA-N -1 3 398.478 3.240 20 0 GGADHM COc1ccc([C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832216866 601734044 /nfs/dbraw/zinc/73/40/44/601734044.db2.gz UEOOJZFEHWRQEX-UZUQRXQVSA-N -1 3 396.487 3.034 20 0 GGADHM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000827226741 601734258 /nfs/dbraw/zinc/73/42/58/601734258.db2.gz PRTOFTYUAUUYCC-WZONZLPQSA-N -1 3 380.488 3.416 20 0 GGADHM Cn1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c2ccccc21 ZINC000833042202 601734870 /nfs/dbraw/zinc/73/48/70/601734870.db2.gz YUZKPFUYBSEAGC-QHCPKHFHSA-N -1 3 391.471 3.028 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833128674 601735329 /nfs/dbraw/zinc/73/53/29/601735329.db2.gz LESKUPAXOBPJFS-ZRCGQRJVSA-N -1 3 396.462 3.165 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1F ZINC000833125758 601735963 /nfs/dbraw/zinc/73/59/63/601735963.db2.gz ZCPVHHJSCYZVBD-DNVCBOLYSA-N -1 3 388.414 3.119 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cc3cc(F)ccc3[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128498 601777108 /nfs/dbraw/zinc/77/71/08/601777108.db2.gz IAGHXYXNBNVJOY-QFIPXVFZSA-N -1 3 395.434 3.156 20 0 GGADHM Cc1ccccc1NCCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832978880 601778252 /nfs/dbraw/zinc/77/82/52/601778252.db2.gz QWYSCTRIULHCRY-QHCPKHFHSA-N -1 3 395.503 3.033 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000830608895 601793597 /nfs/dbraw/zinc/79/35/97/601793597.db2.gz JVBUFGAQBRXLDC-UHFFFAOYSA-N -1 3 397.378 3.175 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccsc2C(=O)[O-])cc1 ZINC000829683776 601806781 /nfs/dbraw/zinc/80/67/81/601806781.db2.gz DLSSITSSVAMZSW-CYBMUJFWSA-N -1 3 396.534 3.328 20 0 GGADHM O=C([O-])c1sccc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000833156438 601808001 /nfs/dbraw/zinc/80/80/01/601808001.db2.gz ILJWFVDIEOQBRS-UHFFFAOYSA-N -1 3 377.441 3.372 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)N(C)C)cc1 ZINC000659392813 601822902 /nfs/dbraw/zinc/82/29/02/601822902.db2.gz LXNBDMYDFJFODR-LJQANCHMSA-N -1 3 375.513 3.138 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)N(C)C)cc1 ZINC000659392811 601823039 /nfs/dbraw/zinc/82/30/39/601823039.db2.gz LXNBDMYDFJFODR-IBGZPJMESA-N -1 3 375.513 3.138 20 0 GGADHM Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@H](C(=O)[O-])C(C)C)cs2)c1 ZINC000832926185 601824087 /nfs/dbraw/zinc/82/40/87/601824087.db2.gz IDYBTLAVKJPUSL-SFHVURJKSA-N -1 3 375.494 3.140 20 0 GGADHM CCC[C@H](NCc1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000829229841 601832412 /nfs/dbraw/zinc/83/24/12/601832412.db2.gz CCFKOGLIOHNURA-SFHVURJKSA-N -1 3 384.480 3.210 20 0 GGADHM CC(C)C1CCC(N2CCN(CC(=O)Nc3ccsc3C(=O)[O-])CC2)CC1 ZINC000826727642 601839674 /nfs/dbraw/zinc/83/96/74/601839674.db2.gz SOPSRPNARMOCHG-UHFFFAOYSA-N -1 3 393.553 3.217 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000825977945 601843637 /nfs/dbraw/zinc/84/36/37/601843637.db2.gz SLSXZWSOPNBBES-UZUQRXQVSA-N -1 3 384.520 3.068 20 0 GGADHM O=C(Nc1cc(Cl)[nH]n1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826451579 607529501 /nfs/dbraw/zinc/52/95/01/607529501.db2.gz MSALKVVIPKASEY-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM COc1ccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000666513094 601845633 /nfs/dbraw/zinc/84/56/33/601845633.db2.gz DJKRKMDMHGWYRU-FQEVSTJZSA-N -1 3 397.475 3.030 20 0 GGADHM CC[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000666516378 601849300 /nfs/dbraw/zinc/84/93/00/601849300.db2.gz OGBFPNVMERPCQZ-FQEVSTJZSA-N -1 3 381.476 3.021 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000666524020 601865560 /nfs/dbraw/zinc/86/55/60/601865560.db2.gz WZCAYJKNILCVLE-HXUWFJFHSA-N -1 3 381.476 3.330 20 0 GGADHM O=C([O-])CC1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCCC1 ZINC000833206022 601880739 /nfs/dbraw/zinc/88/07/39/601880739.db2.gz VEOPFXAWPYVUHB-UHFFFAOYSA-N -1 3 387.505 3.340 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176514 601881312 /nfs/dbraw/zinc/88/13/12/601881312.db2.gz JJZYCIZCVUYUJG-OXJNMPFZSA-N -1 3 396.491 3.281 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)NCc3cccc(C(=O)[O-])c3)c(C)c2)CC1 ZINC000669493921 601885285 /nfs/dbraw/zinc/88/52/85/601885285.db2.gz QEDVHEWBRMVDDB-UHFFFAOYSA-N -1 3 396.491 3.157 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](O)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832965316 601901847 /nfs/dbraw/zinc/90/18/47/601901847.db2.gz JNIOOVOIIQHWOO-KSSFIOAISA-N -1 3 397.393 3.218 20 0 GGADHM Cc1ccc(OC[C@H](O)CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000832951254 601901854 /nfs/dbraw/zinc/90/18/54/601901854.db2.gz MGOSFCNSVYSKDE-AUUYWEPGSA-N -1 3 397.393 3.218 20 0 GGADHM Cc1cccc(C)c1OC[C@H](O)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832965315 601901959 /nfs/dbraw/zinc/90/19/59/601901959.db2.gz JNIOOVOIIQHWOO-KDOFPFPSSA-N -1 3 397.393 3.218 20 0 GGADHM CN(CCC(=O)Nc1cccc(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727187 601902656 /nfs/dbraw/zinc/90/26/56/601902656.db2.gz MCHYUSRKOXUCHQ-KRWDZBQOSA-N -1 3 384.329 3.329 20 0 GGADHM CN(CCc1nc2ccccc2c(=O)[nH]1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800708 601903194 /nfs/dbraw/zinc/90/31/94/601903194.db2.gz UUSYQPJTHFQAGX-KRWDZBQOSA-N -1 3 391.349 3.053 20 0 GGADHM CN(C[C@@H](O)c1ccc(F)cc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713914 601906316 /nfs/dbraw/zinc/90/63/16/601906316.db2.gz LDCAYGOVGXVELY-GDBMZVCRSA-N -1 3 375.293 3.173 20 0 GGADHM CN(CCC(=O)NCC1CCCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727057 601906635 /nfs/dbraw/zinc/90/66/35/601906635.db2.gz IAJJGXKZHFDBNR-SFHVURJKSA-N -1 3 386.414 3.248 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176855 601929327 /nfs/dbraw/zinc/92/93/27/601929327.db2.gz LUCQPJBHHZUWGM-OXJNMPFZSA-N -1 3 381.476 3.189 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000828178036 601930398 /nfs/dbraw/zinc/93/03/98/601930398.db2.gz YZVOAJWBHIAJSD-QRWLVFNGSA-N -1 3 379.460 3.073 20 0 GGADHM CN(C(=O)CN1CC[C@](C)(C(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000449081779 601939644 /nfs/dbraw/zinc/93/96/44/601939644.db2.gz HVJOZULBUIGPSY-IRLDBZIGSA-N -1 3 384.451 3.170 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000829684136 601941308 /nfs/dbraw/zinc/94/13/08/601941308.db2.gz PMJNDFGNMDLHMG-CYBMUJFWSA-N -1 3 396.534 3.328 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000833313248 601944369 /nfs/dbraw/zinc/94/43/69/601944369.db2.gz QLAYPTAKPLYVIY-LLVKDONJSA-N -1 3 379.869 3.345 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826022256 601946007 /nfs/dbraw/zinc/94/60/07/601946007.db2.gz ZRLOBDWJZVDMOW-VFNWGFHPSA-N -1 3 399.516 3.498 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826022255 601946498 /nfs/dbraw/zinc/94/64/98/601946498.db2.gz ZRLOBDWJZVDMOW-QVKFZJNVSA-N -1 3 399.516 3.498 20 0 GGADHM CNC(=O)COc1cccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000830997361 601972267 /nfs/dbraw/zinc/97/22/67/601972267.db2.gz YRJGPEBLVXKEBQ-QGZVFWFLSA-N -1 3 397.258 3.034 20 0 GGADHM CNC(=O)COc1cccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000830997359 601972460 /nfs/dbraw/zinc/97/24/60/601972460.db2.gz YRJGPEBLVXKEBQ-KRWDZBQOSA-N -1 3 397.258 3.034 20 0 GGADHM Cc1cccc(C(=O)NCCN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832962973 601973265 /nfs/dbraw/zinc/97/32/65/601973265.db2.gz IKMJVCKXQMGBSH-INIZCTEOSA-N -1 3 381.259 3.447 20 0 GGADHM O=C([O-])[C@H](NCCN1C(=O)Cc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833168332 601975823 /nfs/dbraw/zinc/97/58/23/601975823.db2.gz WSONGLJZQTWCST-QGZVFWFLSA-N -1 3 379.243 3.298 20 0 GGADHM O=C([O-])[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000833167881 601979099 /nfs/dbraw/zinc/97/90/99/601979099.db2.gz RMHAZWSAOVIFMJ-HOTGVXAUSA-N -1 3 385.291 3.500 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1Br ZINC000826453852 607538764 /nfs/dbraw/zinc/53/87/64/607538764.db2.gz BLPBQNNKISQGPZ-UHFFFAOYSA-N -1 3 398.142 3.299 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1Br ZINC000826453852 607538766 /nfs/dbraw/zinc/53/87/66/607538766.db2.gz BLPBQNNKISQGPZ-UHFFFAOYSA-N -1 3 398.142 3.299 20 0 GGADHM COc1ccc(CSc2nnc(-c3cccs3)n2C)cc1-c1nnn[n-]1 ZINC000826208080 607539147 /nfs/dbraw/zinc/53/91/47/607539147.db2.gz RQPGUJOMRPKKAZ-UHFFFAOYSA-N -1 3 385.478 3.025 20 0 GGADHM COc1ccc(CSc2nnc(-c3cccs3)n2C)cc1-c1nn[n-]n1 ZINC000826208080 607539149 /nfs/dbraw/zinc/53/91/49/607539149.db2.gz RQPGUJOMRPKKAZ-UHFFFAOYSA-N -1 3 385.478 3.025 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826177425 607539140 /nfs/dbraw/zinc/53/91/40/607539140.db2.gz HVEVENMAHDITIZ-LBPRGKRZSA-N -1 3 397.460 3.197 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826177425 607539142 /nfs/dbraw/zinc/53/91/42/607539142.db2.gz HVEVENMAHDITIZ-LBPRGKRZSA-N -1 3 397.460 3.197 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC000828168097 602023420 /nfs/dbraw/zinc/02/34/20/602023420.db2.gz MHAGKGQSDOVTDT-FUHWJXTLSA-N -1 3 391.471 3.119 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828175934 602036997 /nfs/dbraw/zinc/03/69/97/602036997.db2.gz FAGKBLVYCOOLSA-LPHOPBHVSA-N -1 3 397.475 3.325 20 0 GGADHM COc1ccc(COc2ccc(F)cc2Br)cc1-c1nnn[n-]1 ZINC000826207254 607540508 /nfs/dbraw/zinc/54/05/08/607540508.db2.gz HBZLQIVJPFGRPN-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM COc1ccc(COc2ccc(F)cc2Br)cc1-c1nn[n-]n1 ZINC000826207254 607540510 /nfs/dbraw/zinc/54/05/10/607540510.db2.gz HBZLQIVJPFGRPN-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828178039 602039137 /nfs/dbraw/zinc/03/91/37/602039137.db2.gz ZAUTWLXSKURISR-OXJNMPFZSA-N -1 3 381.476 3.488 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863247 602049352 /nfs/dbraw/zinc/04/93/52/602049352.db2.gz MJAWOKPOUKBQAH-FXAWDEMLSA-N -1 3 396.487 3.160 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1)CCC2 ZINC000566360730 602053945 /nfs/dbraw/zinc/05/39/45/602053945.db2.gz AFUUAPRGEMMQSP-YOEHRIQHSA-N -1 3 390.505 3.153 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2cccs2)CC1 ZINC000263142449 602055458 /nfs/dbraw/zinc/05/54/58/602055458.db2.gz ZXPDCZAJXYCZQF-DNVCBOLYSA-N -1 3 379.526 3.027 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826300729 607545410 /nfs/dbraw/zinc/54/54/10/607545410.db2.gz FOHWHGJYFSDAJJ-ZDUSSCGKSA-N -1 3 397.460 3.303 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826300729 607545412 /nfs/dbraw/zinc/54/54/12/607545412.db2.gz FOHWHGJYFSDAJJ-ZDUSSCGKSA-N -1 3 397.460 3.303 20 0 GGADHM CN1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC000830934600 602110787 /nfs/dbraw/zinc/11/07/87/602110787.db2.gz IHXCYWQNOXDDLN-KRWDZBQOSA-N -1 3 383.448 3.180 20 0 GGADHM CN1CCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000830941197 602112655 /nfs/dbraw/zinc/11/26/55/602112655.db2.gz UQBSIPIOJMGOQA-KRWDZBQOSA-N -1 3 383.448 3.180 20 0 GGADHM COc1ccc(CNc2ccc(Br)cc2F)cc1-c1nnn[n-]1 ZINC000826203990 607547036 /nfs/dbraw/zinc/54/70/36/607547036.db2.gz QUALYMGSLPZOMZ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(CNc2ccc(Br)cc2F)cc1-c1nn[n-]n1 ZINC000826203990 607547038 /nfs/dbraw/zinc/54/70/38/607547038.db2.gz QUALYMGSLPZOMZ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826300964 607547256 /nfs/dbraw/zinc/54/72/56/607547256.db2.gz NBVZAIHFHCAYKL-GOSISDBHSA-N -1 3 385.493 3.193 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826300964 607547257 /nfs/dbraw/zinc/54/72/57/607547257.db2.gz NBVZAIHFHCAYKL-GOSISDBHSA-N -1 3 385.493 3.193 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(OC)c(OC)c2)C(=O)[O-])c1 ZINC000832048994 602166691 /nfs/dbraw/zinc/16/66/91/602166691.db2.gz CEQMALNHHDHNKR-BUXKBTBVSA-N -1 3 375.421 3.198 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccc(N3CCCCCC3)nc2)C(=O)[O-])c1 ZINC000832056884 602167374 /nfs/dbraw/zinc/16/73/74/602167374.db2.gz JTOWUZHLWHUHNL-OAQYLSRUSA-N -1 3 399.491 3.395 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccc(N3CCCCC3)nc2)C(=O)[O-])c1 ZINC000832058331 602167976 /nfs/dbraw/zinc/16/79/76/602167976.db2.gz ZFQAJPWJROBLRP-FQEVSTJZSA-N -1 3 385.464 3.005 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(-n3cccn3)cc2)C(=O)[O-])c1 ZINC000832050339 602175988 /nfs/dbraw/zinc/17/59/88/602175988.db2.gz PHRWKSMSSPIUMK-JLTOFOAXSA-N -1 3 381.432 3.366 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccccc2-n2cccn2)C(=O)[O-])c1 ZINC000832051513 602178008 /nfs/dbraw/zinc/17/80/08/602178008.db2.gz WCBCMOYEHNOBJW-VBKZILBWSA-N -1 3 381.432 3.366 20 0 GGADHM CN(C)CCN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCCC1 ZINC000830605031 602206652 /nfs/dbraw/zinc/20/66/52/602206652.db2.gz ZMMJNXJTVZHMIB-UHFFFAOYSA-N -1 3 379.526 3.343 20 0 GGADHM CCC(CC)(CC(=O)[O-])NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000828804430 602214008 /nfs/dbraw/zinc/21/40/08/602214008.db2.gz MHHFEAULIANBSO-UHFFFAOYSA-N -1 3 396.534 3.337 20 0 GGADHM CC[C@@](C)(CC(=O)[O-])NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000828672428 602222112 /nfs/dbraw/zinc/22/21/12/602222112.db2.gz RVNUGBDIJPCRSQ-AWEZNQCLSA-N -1 3 391.781 3.068 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826881497 602223596 /nfs/dbraw/zinc/22/35/96/602223596.db2.gz WRAUZXRRPQOFNX-UHFFFAOYSA-N -1 3 387.480 3.355 20 0 GGADHM CN(CCC1CC1)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825918473 607553453 /nfs/dbraw/zinc/55/34/53/607553453.db2.gz FUHUIIYDNASCSG-UHFFFAOYSA-N -1 3 383.481 3.178 20 0 GGADHM CN(CCC1CC1)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825918473 607553454 /nfs/dbraw/zinc/55/34/54/607553454.db2.gz FUHUIIYDNASCSG-UHFFFAOYSA-N -1 3 383.481 3.178 20 0 GGADHM Cc1nnc([C@@H]2CCCN(Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)[nH]1 ZINC000832997238 602234747 /nfs/dbraw/zinc/23/47/47/602234747.db2.gz USCPZEVOEJWQBH-OAHLLOKOSA-N -1 3 383.477 3.314 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826198574 607556508 /nfs/dbraw/zinc/55/65/08/607556508.db2.gz CJDQEQZBFJKZHE-NSHDSACASA-N -1 3 386.843 3.089 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826198574 607556510 /nfs/dbraw/zinc/55/65/10/607556510.db2.gz CJDQEQZBFJKZHE-NSHDSACASA-N -1 3 386.843 3.089 20 0 GGADHM CCC[C@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825242233 607557715 /nfs/dbraw/zinc/55/77/15/607557715.db2.gz LUDJOIWWPLPJLV-KRWDZBQOSA-N -1 3 380.452 3.216 20 0 GGADHM CCC[C@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825242233 607557716 /nfs/dbraw/zinc/55/77/16/607557716.db2.gz LUDJOIWWPLPJLV-KRWDZBQOSA-N -1 3 380.452 3.216 20 0 GGADHM COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826199680 607558045 /nfs/dbraw/zinc/55/80/45/607558045.db2.gz IKWLSVNTFQTLHK-GOSISDBHSA-N -1 3 394.479 3.114 20 0 GGADHM COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826199680 607558046 /nfs/dbraw/zinc/55/80/46/607558046.db2.gz IKWLSVNTFQTLHK-GOSISDBHSA-N -1 3 394.479 3.114 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)cc2C)cc1-c1nnn[n-]1 ZINC000826198570 607562104 /nfs/dbraw/zinc/56/21/04/607562104.db2.gz CEQHZSPFOJNHGW-CQSZACIVSA-N -1 3 380.452 3.053 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000826198570 607562106 /nfs/dbraw/zinc/56/21/06/607562106.db2.gz CEQHZSPFOJNHGW-CQSZACIVSA-N -1 3 380.452 3.053 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)c2cccs2)CC1 ZINC000828285211 602365095 /nfs/dbraw/zinc/36/50/95/602365095.db2.gz LOISXVLCOFVWQN-MRXNPFEDSA-N -1 3 390.509 3.380 20 0 GGADHM CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830500696 602365318 /nfs/dbraw/zinc/36/53/18/602365318.db2.gz VNVKXPFXENKKNP-LJQANCHMSA-N -1 3 382.464 3.192 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825782643 607562656 /nfs/dbraw/zinc/56/26/56/607562656.db2.gz KASRWLVOALDSQQ-QGZVFWFLSA-N -1 3 396.520 3.282 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825782643 607562658 /nfs/dbraw/zinc/56/26/58/607562658.db2.gz KASRWLVOALDSQQ-QGZVFWFLSA-N -1 3 396.520 3.282 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830609216 602382830 /nfs/dbraw/zinc/38/28/30/602382830.db2.gz YMOIDEUJZTXONQ-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825782646 607564425 /nfs/dbraw/zinc/56/44/25/607564425.db2.gz KBQBJBDNOKOJFL-KSSFIOAISA-N -1 3 393.495 3.434 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825782646 607564427 /nfs/dbraw/zinc/56/44/27/607564427.db2.gz KBQBJBDNOKOJFL-KSSFIOAISA-N -1 3 393.495 3.434 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000825782983 607565404 /nfs/dbraw/zinc/56/54/04/607565404.db2.gz XVMOSUHNIODMGC-OAHLLOKOSA-N -1 3 395.467 3.204 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000825782983 607565405 /nfs/dbraw/zinc/56/54/05/607565405.db2.gz XVMOSUHNIODMGC-OAHLLOKOSA-N -1 3 395.467 3.204 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825126527 607573486 /nfs/dbraw/zinc/57/34/86/607573486.db2.gz ITCCCIJHHNMRCE-QGZVFWFLSA-N -1 3 394.479 3.038 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825126527 607573488 /nfs/dbraw/zinc/57/34/88/607573488.db2.gz ITCCCIJHHNMRCE-QGZVFWFLSA-N -1 3 394.479 3.038 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cc2occc2[nH]1 ZINC000826455570 607571501 /nfs/dbraw/zinc/57/15/01/607571501.db2.gz UWEGEHWSDDTSEO-UHFFFAOYSA-N -1 3 387.359 3.381 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](c2ccccc2C)C2CC2)cc1-c1nnn[n-]1 ZINC000826199022 607571637 /nfs/dbraw/zinc/57/16/37/607571637.db2.gz OVWHZQCHNIEDSV-LJQANCHMSA-N -1 3 392.463 3.134 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](c2ccccc2C)C2CC2)cc1-c1nn[n-]n1 ZINC000826199022 607571639 /nfs/dbraw/zinc/57/16/39/607571639.db2.gz OVWHZQCHNIEDSV-LJQANCHMSA-N -1 3 392.463 3.134 20 0 GGADHM Cc1cccc(S(=O)(=O)Oc2cccc(Cl)c2Cl)c1-c1nnn[n-]1 ZINC000826304336 607574075 /nfs/dbraw/zinc/57/40/75/607574075.db2.gz HTYKPILXRVTWNB-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM COc1ccc(CNC(=O)c2cc3ccc(F)cc3s2)cc1-c1nnn[n-]1 ZINC000826200647 607579793 /nfs/dbraw/zinc/57/97/93/607579793.db2.gz BBUIYTIEXNHLNL-UHFFFAOYSA-N -1 3 383.408 3.159 20 0 GGADHM COc1ccc(CNC(=O)c2cc3ccc(F)cc3s2)cc1-c1nn[n-]n1 ZINC000826200647 607579795 /nfs/dbraw/zinc/57/97/95/607579795.db2.gz BBUIYTIEXNHLNL-UHFFFAOYSA-N -1 3 383.408 3.159 20 0 GGADHM COc1ccc(CNC(=O)Cc2ccc(C(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826197476 607579875 /nfs/dbraw/zinc/57/98/75/607579875.db2.gz QOUZDGMRKPQMSH-UHFFFAOYSA-N -1 3 379.464 3.032 20 0 GGADHM COc1ccc(CNC(=O)Cc2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826197476 607579877 /nfs/dbraw/zinc/57/98/77/607579877.db2.gz QOUZDGMRKPQMSH-UHFFFAOYSA-N -1 3 379.464 3.032 20 0 GGADHM COc1ccc(COC(=O)c2ccc(OC(C)C)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826177445 607593463 /nfs/dbraw/zinc/59/34/63/607593463.db2.gz IXVRUOCUPAPMAS-UHFFFAOYSA-N -1 3 398.419 3.028 20 0 GGADHM COc1ccc(COC(=O)c2ccc(OC(C)C)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826177445 607593465 /nfs/dbraw/zinc/59/34/65/607593465.db2.gz IXVRUOCUPAPMAS-UHFFFAOYSA-N -1 3 398.419 3.028 20 0 GGADHM COc1ccc(COC(=O)c2nc(-c3ccccc3)oc2C)cc1-c1nnn[n-]1 ZINC000826206605 607594163 /nfs/dbraw/zinc/59/41/63/607594163.db2.gz CSMIUIRFIPQWGX-UHFFFAOYSA-N -1 3 391.387 3.196 20 0 GGADHM COc1ccc(COC(=O)c2nc(-c3ccccc3)oc2C)cc1-c1nn[n-]n1 ZINC000826206605 607594165 /nfs/dbraw/zinc/59/41/65/607594165.db2.gz CSMIUIRFIPQWGX-UHFFFAOYSA-N -1 3 391.387 3.196 20 0 GGADHM COc1ccc(COC(=O)c2cc(Cl)nc3ccccc32)cc1-c1nnn[n-]1 ZINC000826205627 607597191 /nfs/dbraw/zinc/59/71/91/607597191.db2.gz DIPUFENYADQEKT-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1ccc(COC(=O)c2cc(Cl)nc3ccccc32)cc1-c1nn[n-]n1 ZINC000826205627 607597192 /nfs/dbraw/zinc/59/71/92/607597192.db2.gz DIPUFENYADQEKT-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1ccc(COC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826204638 607597218 /nfs/dbraw/zinc/59/72/18/607597218.db2.gz SVPRUSCGXUDQNJ-NSHDSACASA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(COC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826204638 607597219 /nfs/dbraw/zinc/59/72/19/607597219.db2.gz SVPRUSCGXUDQNJ-NSHDSACASA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(COC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826204637 607597436 /nfs/dbraw/zinc/59/74/36/607597436.db2.gz SVPRUSCGXUDQNJ-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(COC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826204637 607597438 /nfs/dbraw/zinc/59/74/38/607597438.db2.gz SVPRUSCGXUDQNJ-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(COC(=O)c2cc3c(nc(C)cc3C)s2)cc1-c1nnn[n-]1 ZINC000826205923 607599382 /nfs/dbraw/zinc/59/93/82/607599382.db2.gz UIHBUUMMMKKSSN-UHFFFAOYSA-N -1 3 395.444 3.459 20 0 GGADHM COc1ccc(COC(=O)c2cc3c(nc(C)cc3C)s2)cc1-c1nn[n-]n1 ZINC000826205923 607599384 /nfs/dbraw/zinc/59/93/84/607599384.db2.gz UIHBUUMMMKKSSN-UHFFFAOYSA-N -1 3 395.444 3.459 20 0 GGADHM COc1ccc(COC(=O)c2csc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000826206597 607599592 /nfs/dbraw/zinc/59/95/92/607599592.db2.gz CKCORWZWZRATMU-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COc1ccc(COC(=O)c2csc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826206597 607599593 /nfs/dbraw/zinc/59/95/93/607599593.db2.gz CKCORWZWZRATMU-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COc1ccc(COC(=O)c2csc(-c3cccs3)n2)cc1-c1nnn[n-]1 ZINC000826206634 607599943 /nfs/dbraw/zinc/59/99/43/607599943.db2.gz FIIYVZTXYYMPBP-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM COc1ccc(COC(=O)c2csc(-c3cccs3)n2)cc1-c1nn[n-]n1 ZINC000826206634 607599944 /nfs/dbraw/zinc/59/99/44/607599944.db2.gz FIIYVZTXYYMPBP-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM CN(CCC1CC1)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825918255 607603406 /nfs/dbraw/zinc/60/34/06/607603406.db2.gz CKXBJLZKCJLMPW-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM CCN(CC)[C@@H](C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825405716 607606432 /nfs/dbraw/zinc/60/64/32/607606432.db2.gz CZEAGSLLJSPEQM-LJQANCHMSA-N -1 3 395.463 3.002 20 0 GGADHM CCN(CC)[C@@H](C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825405716 607606434 /nfs/dbraw/zinc/60/64/34/607606434.db2.gz CZEAGSLLJSPEQM-LJQANCHMSA-N -1 3 395.463 3.002 20 0 GGADHM Cc1csc(-c2cccc(OS(=O)(=O)c3ccccc3-c3nnn[n-]3)c2)n1 ZINC000826319986 607607070 /nfs/dbraw/zinc/60/70/70/607607070.db2.gz BJUYICGFACUZFH-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM COc1ccc(COC(=O)CCc2c[nH]c3ccc(C)cc23)cc1-c1nnn[n-]1 ZINC000826204875 607610836 /nfs/dbraw/zinc/61/08/36/607610836.db2.gz BSXDMRKHBYLWJJ-UHFFFAOYSA-N -1 3 391.431 3.341 20 0 GGADHM COc1ccc(COC(=O)CCc2c[nH]c3ccc(C)cc23)cc1-c1nn[n-]n1 ZINC000826204875 607610837 /nfs/dbraw/zinc/61/08/37/607610837.db2.gz BSXDMRKHBYLWJJ-UHFFFAOYSA-N -1 3 391.431 3.341 20 0 GGADHM Cc1cc(C)nc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000826265691 607615593 /nfs/dbraw/zinc/61/55/93/607615593.db2.gz JJUACVRFHXCMCA-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1cc(C)nc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000826265691 607615595 /nfs/dbraw/zinc/61/55/95/607615595.db2.gz JJUACVRFHXCMCA-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cn1nccc1COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826366480 607619458 /nfs/dbraw/zinc/61/94/58/607619458.db2.gz KBVMDLXESVXANA-UHFFFAOYSA-N -1 3 392.444 3.108 20 0 GGADHM Cn1nccc1COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826366480 607619459 /nfs/dbraw/zinc/61/94/59/607619459.db2.gz KBVMDLXESVXANA-UHFFFAOYSA-N -1 3 392.444 3.108 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)cccc1-c1nnn[n-]1 ZINC000826242106 607620309 /nfs/dbraw/zinc/62/03/09/607620309.db2.gz ZTZYDDJZMBAWCG-KRWDZBQOSA-N -1 3 394.479 3.099 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)cccc1-c1nn[n-]n1 ZINC000826242106 607620310 /nfs/dbraw/zinc/62/03/10/607620310.db2.gz ZTZYDDJZMBAWCG-KRWDZBQOSA-N -1 3 394.479 3.099 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H](c1ccccn1)C(F)(F)F ZINC000826408329 607621113 /nfs/dbraw/zinc/62/11/13/607621113.db2.gz BAEJQCOWGQROHE-OAHLLOKOSA-N -1 3 377.326 3.041 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H](c1ccccn1)C(F)(F)F ZINC000826408329 607621114 /nfs/dbraw/zinc/62/11/14/607621114.db2.gz BAEJQCOWGQROHE-OAHLLOKOSA-N -1 3 377.326 3.041 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826199466 607622398 /nfs/dbraw/zinc/62/23/98/607622398.db2.gz ZMUBJLYVMBJGRW-SFHVURJKSA-N -1 3 394.479 3.462 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826199466 607622399 /nfs/dbraw/zinc/62/23/99/607622399.db2.gz ZMUBJLYVMBJGRW-SFHVURJKSA-N -1 3 394.479 3.462 20 0 GGADHM COc1ccc(CNC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1-c1nnn[n-]1 ZINC000826198412 607626657 /nfs/dbraw/zinc/62/66/57/607626657.db2.gz XDMFADYMQJNDEE-BBRMVZONSA-N -1 3 396.451 3.151 20 0 GGADHM COc1ccc(CNC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000826198412 607626658 /nfs/dbraw/zinc/62/66/58/607626658.db2.gz XDMFADYMQJNDEE-BBRMVZONSA-N -1 3 396.451 3.151 20 0 GGADHM O=C(Nc1cccc(O)c1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000826457250 607644908 /nfs/dbraw/zinc/64/49/08/607644908.db2.gz STXNIVGLFBZHNS-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM O=C(Nc1cccc(O)c1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000826457250 607644910 /nfs/dbraw/zinc/64/49/10/607644910.db2.gz STXNIVGLFBZHNS-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM CCn1cc(NC(=S)N(Cc2ccccc2-c2nnn[n-]2)C2CCCC2)cn1 ZINC000825799453 607647603 /nfs/dbraw/zinc/64/76/03/607647603.db2.gz KWYYHVDJAWVJON-UHFFFAOYSA-N -1 3 396.524 3.225 20 0 GGADHM CCn1cc(NC(=S)N(Cc2ccccc2-c2nn[n-]n2)C2CCCC2)cn1 ZINC000825799453 607647606 /nfs/dbraw/zinc/64/76/06/607647606.db2.gz KWYYHVDJAWVJON-UHFFFAOYSA-N -1 3 396.524 3.225 20 0 GGADHM S=C(Nc1ccc2c(c1)CCC2)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826511679 607649214 /nfs/dbraw/zinc/64/92/14/607649214.db2.gz AFBINYUUQINGCZ-UHFFFAOYSA-N -1 3 376.489 3.331 20 0 GGADHM S=C(Nc1ccc2c(c1)CCC2)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826511679 607649217 /nfs/dbraw/zinc/64/92/17/607649217.db2.gz AFBINYUUQINGCZ-UHFFFAOYSA-N -1 3 376.489 3.331 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826316268 607650821 /nfs/dbraw/zinc/65/08/21/607650821.db2.gz ITJUYAQMXLVWSH-CVEARBPZSA-N -1 3 399.545 3.390 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826316268 607650823 /nfs/dbraw/zinc/65/08/23/607650823.db2.gz ITJUYAQMXLVWSH-CVEARBPZSA-N -1 3 399.545 3.390 20 0 GGADHM Cc1ccccc1-c1nnc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826305116 607655954 /nfs/dbraw/zinc/65/59/54/607655954.db2.gz LJBNBCIJWIDVAH-UHFFFAOYSA-N -1 3 378.417 3.200 20 0 GGADHM Cc1ccccc1-c1nnc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826305116 607655955 /nfs/dbraw/zinc/65/59/55/607655955.db2.gz LJBNBCIJWIDVAH-UHFFFAOYSA-N -1 3 378.417 3.200 20 0 GGADHM O=C(CSc1nnc(CCc2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421800 607659238 /nfs/dbraw/zinc/65/92/38/607659238.db2.gz ZTRSHANZBDUTCI-UHFFFAOYSA-N -1 3 392.444 3.010 20 0 GGADHM O=C(CSc1nnc(CCc2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421800 607659240 /nfs/dbraw/zinc/65/92/40/607659240.db2.gz ZTRSHANZBDUTCI-UHFFFAOYSA-N -1 3 392.444 3.010 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC000826243435 607660294 /nfs/dbraw/zinc/66/02/94/607660294.db2.gz IPPASPHTSBIHJF-GFCCVEGCSA-N -1 3 399.455 3.023 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC000826243435 607660296 /nfs/dbraw/zinc/66/02/96/607660296.db2.gz IPPASPHTSBIHJF-GFCCVEGCSA-N -1 3 399.455 3.023 20 0 GGADHM COCCN(Cc1ccc(C)cc1C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826158798 607661489 /nfs/dbraw/zinc/66/14/89/607661489.db2.gz CXVTVANMSQISKD-UHFFFAOYSA-N -1 3 379.464 3.081 20 0 GGADHM COCCN(Cc1ccc(C)cc1C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826158798 607661490 /nfs/dbraw/zinc/66/14/90/607661490.db2.gz CXVTVANMSQISKD-UHFFFAOYSA-N -1 3 379.464 3.081 20 0 GGADHM COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826216332 607666158 /nfs/dbraw/zinc/66/61/58/607666158.db2.gz UAPILNSNGKFMIN-KRWDZBQOSA-N -1 3 377.448 3.031 20 0 GGADHM COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826216332 607666160 /nfs/dbraw/zinc/66/61/60/607666160.db2.gz UAPILNSNGKFMIN-KRWDZBQOSA-N -1 3 377.448 3.031 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1csc(Br)c1 ZINC000826243682 607670236 /nfs/dbraw/zinc/67/02/36/607670236.db2.gz QVUUYVILMUHACL-UHFFFAOYSA-N -1 3 392.282 3.271 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1csc(Br)c1 ZINC000826243682 607670238 /nfs/dbraw/zinc/67/02/38/607670238.db2.gz QVUUYVILMUHACL-UHFFFAOYSA-N -1 3 392.282 3.271 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000826250687 607671551 /nfs/dbraw/zinc/67/15/51/607671551.db2.gz MWZQHEFZOKYULE-INIZCTEOSA-N -1 3 393.447 3.375 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000826250687 607671553 /nfs/dbraw/zinc/67/15/53/607671553.db2.gz MWZQHEFZOKYULE-INIZCTEOSA-N -1 3 393.447 3.375 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826243637 607676461 /nfs/dbraw/zinc/67/64/61/607676461.db2.gz PEDODRPIFQFHMD-QUCCMNQESA-N -1 3 391.475 3.415 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826243637 607676462 /nfs/dbraw/zinc/67/64/62/607676462.db2.gz PEDODRPIFQFHMD-QUCCMNQESA-N -1 3 391.475 3.415 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000826243996 607680379 /nfs/dbraw/zinc/68/03/79/607680379.db2.gz DIBYSKOJVGMIIB-UHFFFAOYSA-N -1 3 398.470 3.455 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000826243996 607680380 /nfs/dbraw/zinc/68/03/80/607680380.db2.gz DIBYSKOJVGMIIB-UHFFFAOYSA-N -1 3 398.470 3.455 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826268353 607681122 /nfs/dbraw/zinc/68/11/22/607681122.db2.gz TZNDXZDGTSYMOF-UONOGXRCSA-N -1 3 382.443 3.115 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826268353 607681124 /nfs/dbraw/zinc/68/11/24/607681124.db2.gz TZNDXZDGTSYMOF-UONOGXRCSA-N -1 3 382.443 3.115 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000826352971 607681565 /nfs/dbraw/zinc/68/15/65/607681565.db2.gz WEPITQLSZCRSMI-CHWSQXEVSA-N -1 3 384.871 3.321 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000826352971 607681566 /nfs/dbraw/zinc/68/15/66/607681566.db2.gz WEPITQLSZCRSMI-CHWSQXEVSA-N -1 3 384.871 3.321 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000825961639 607682924 /nfs/dbraw/zinc/68/29/24/607682924.db2.gz KHPUCHCVZVJYBD-UHFFFAOYSA-N -1 3 391.522 3.046 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000825961639 607682926 /nfs/dbraw/zinc/68/29/26/607682926.db2.gz KHPUCHCVZVJYBD-UHFFFAOYSA-N -1 3 391.522 3.046 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830604015 604296593 /nfs/dbraw/zinc/29/65/93/604296593.db2.gz CPJQWDBONABMFL-UHFFFAOYSA-N -1 3 380.366 3.006 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc(C(=O)[O-])o1 ZINC000827234913 604331634 /nfs/dbraw/zinc/33/16/34/604331634.db2.gz JONGYVRQAMHDPL-SNVBAGLBSA-N -1 3 381.226 3.247 20 0 GGADHM O=C([O-])c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c(OC(F)F)c1 ZINC000833318761 604337737 /nfs/dbraw/zinc/33/77/37/604337737.db2.gz DBXBTPXCHSWROT-UHFFFAOYSA-N -1 3 397.422 3.468 20 0 GGADHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(Br)ccc1OC(F)F ZINC000827022414 604402091 /nfs/dbraw/zinc/40/20/91/604402091.db2.gz VJGNGDBWMBXYOB-GFCCVEGCSA-N -1 3 396.228 3.361 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826451507 607690791 /nfs/dbraw/zinc/69/07/91/607690791.db2.gz JQTKDSHCUGPKIB-UHFFFAOYSA-N -1 3 391.357 3.066 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451507 607690793 /nfs/dbraw/zinc/69/07/93/607690793.db2.gz JQTKDSHCUGPKIB-UHFFFAOYSA-N -1 3 391.357 3.066 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1cc(C(=O)[O-])sc1C)CC2 ZINC000570855390 604423915 /nfs/dbraw/zinc/42/39/15/604423915.db2.gz UMEWXKBTXHHLAS-UHFFFAOYSA-N -1 3 391.489 3.381 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824353064 607692491 /nfs/dbraw/zinc/69/24/91/607692491.db2.gz WOAPADPJPOHMHX-UHFFFAOYSA-N -1 3 379.464 3.418 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824353064 607692492 /nfs/dbraw/zinc/69/24/92/607692492.db2.gz WOAPADPJPOHMHX-UHFFFAOYSA-N -1 3 379.464 3.418 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000826095643 604454830 /nfs/dbraw/zinc/45/48/30/604454830.db2.gz MLYJVIMJNMIFAV-UXHICEINSA-N -1 3 395.503 3.412 20 0 GGADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826283374 607693723 /nfs/dbraw/zinc/69/37/23/607693723.db2.gz PKXHKPQBWDSYRQ-UHFFFAOYSA-N -1 3 379.464 3.384 20 0 GGADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826283374 607693724 /nfs/dbraw/zinc/69/37/24/607693724.db2.gz PKXHKPQBWDSYRQ-UHFFFAOYSA-N -1 3 379.464 3.384 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000833499846 604470892 /nfs/dbraw/zinc/47/08/92/604470892.db2.gz RNFQLKDSVFYXOQ-UHFFFAOYSA-N -1 3 395.503 3.487 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])c2cccs2)CC1 ZINC000828284104 604477993 /nfs/dbraw/zinc/47/79/93/604477993.db2.gz CFQNGVHYSZKOHU-HOTGVXAUSA-N -1 3 379.526 3.170 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c2cccs2)CC1 ZINC000828284106 604478164 /nfs/dbraw/zinc/47/81/64/604478164.db2.gz CFQNGVHYSZKOHU-HZPDHXFCSA-N -1 3 379.526 3.170 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C1CCC(C)(C)CC1 ZINC000826158589 607694937 /nfs/dbraw/zinc/69/49/37/607694937.db2.gz VLIGOSHCJXRKNP-UHFFFAOYSA-N -1 3 383.496 3.368 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C1CCC(C)(C)CC1 ZINC000826158589 607694939 /nfs/dbraw/zinc/69/49/39/607694939.db2.gz VLIGOSHCJXRKNP-UHFFFAOYSA-N -1 3 383.496 3.368 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040535 604489936 /nfs/dbraw/zinc/48/99/36/604489936.db2.gz GEXNJHJXJSXRKB-LIRRHRJNSA-N -1 3 393.480 3.273 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040532 604490265 /nfs/dbraw/zinc/49/02/65/604490265.db2.gz GEXNJHJXJSXRKB-AUUYWEPGSA-N -1 3 393.480 3.273 20 0 GGADHM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)Oc1ccccc1Cl ZINC000825121239 607699688 /nfs/dbraw/zinc/69/96/88/607699688.db2.gz QWMLAKHIWAQEMU-CQSZACIVSA-N -1 3 385.855 3.416 20 0 GGADHM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1C)Oc1ccccc1Cl ZINC000825121239 607699689 /nfs/dbraw/zinc/69/96/89/607699689.db2.gz QWMLAKHIWAQEMU-CQSZACIVSA-N -1 3 385.855 3.416 20 0 GGADHM COc1ccccc1C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC000826219900 607699995 /nfs/dbraw/zinc/69/99/95/607699995.db2.gz VETJOPLSGSFEMC-SFHVURJKSA-N -1 3 379.464 3.181 20 0 GGADHM COc1ccccc1C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)C ZINC000826219900 607699998 /nfs/dbraw/zinc/69/99/98/607699998.db2.gz VETJOPLSGSFEMC-SFHVURJKSA-N -1 3 379.464 3.181 20 0 GGADHM CCc1cc2oc(=O)cc(CN(C)[C@H](COC(C)C)C(=O)[O-])c2cc1Cl ZINC000830229454 604516152 /nfs/dbraw/zinc/51/61/52/604516152.db2.gz TWHGDMDEGLTWOM-MRXNPFEDSA-N -1 3 381.856 3.319 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833537905 604523323 /nfs/dbraw/zinc/52/33/23/604523323.db2.gz AAAWSWWENGXCLN-INIZCTEOSA-N -1 3 382.460 3.389 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543628 604525240 /nfs/dbraw/zinc/52/52/40/604525240.db2.gz TWAQZDAHSYHVND-QGZVFWFLSA-N -1 3 386.467 3.386 20 0 GGADHM CCOc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc2)cc1 ZINC000825639122 607696665 /nfs/dbraw/zinc/69/66/65/607696665.db2.gz RBMAGYRTQOXIBD-LJQANCHMSA-N -1 3 388.431 3.113 20 0 GGADHM CCOc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc2)cc1 ZINC000825639122 607696667 /nfs/dbraw/zinc/69/66/67/607696667.db2.gz RBMAGYRTQOXIBD-LJQANCHMSA-N -1 3 388.431 3.113 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830608793 604530018 /nfs/dbraw/zinc/53/00/18/604530018.db2.gz IYTPCWNKVSLDDK-SFHVURJKSA-N -1 3 387.480 3.205 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830608792 604530205 /nfs/dbraw/zinc/53/02/05/604530205.db2.gz IYTPCWNKVSLDDK-GOSISDBHSA-N -1 3 387.480 3.205 20 0 GGADHM CCOc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc2)cc1 ZINC000825639120 607696745 /nfs/dbraw/zinc/69/67/45/607696745.db2.gz RBMAGYRTQOXIBD-IBGZPJMESA-N -1 3 388.431 3.113 20 0 GGADHM CCOc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc2)cc1 ZINC000825639120 607696746 /nfs/dbraw/zinc/69/67/46/607696746.db2.gz RBMAGYRTQOXIBD-IBGZPJMESA-N -1 3 388.431 3.113 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000826094626 604533177 /nfs/dbraw/zinc/53/31/77/604533177.db2.gz BLBHECYRPXSHSK-IBGZPJMESA-N -1 3 387.524 3.498 20 0 GGADHM CN(C)CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000830604123 604534622 /nfs/dbraw/zinc/53/46/22/604534622.db2.gz HHSYQXDUVRCCRY-GOSISDBHSA-N -1 3 375.513 3.354 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833440335 604536844 /nfs/dbraw/zinc/53/68/44/604536844.db2.gz XCVYZGPXWNLYDQ-QGZVFWFLSA-N -1 3 377.485 3.324 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC000833541529 604537525 /nfs/dbraw/zinc/53/75/25/604537525.db2.gz NJVRGUZRQJDDBV-AWEZNQCLSA-N -1 3 378.469 3.028 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000826249063 607697228 /nfs/dbraw/zinc/69/72/28/607697228.db2.gz JYFGMKBTSICANJ-UHFFFAOYSA-N -1 3 393.447 3.060 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000826249063 607697230 /nfs/dbraw/zinc/69/72/30/607697230.db2.gz JYFGMKBTSICANJ-UHFFFAOYSA-N -1 3 393.447 3.060 20 0 GGADHM C[C@H](Oc1ccc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1)C(=O)[O-] ZINC000833537417 604541636 /nfs/dbraw/zinc/54/16/36/604541636.db2.gz KGWWVPSSXLFFPS-HNNXBMFYSA-N -1 3 382.460 3.063 20 0 GGADHM CCC(CC)n1nccc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828874276 604561772 /nfs/dbraw/zinc/56/17/72/604561772.db2.gz BVASFBKMPBRZEW-QFIPXVFZSA-N -1 3 398.507 3.093 20 0 GGADHM CCC(CC)n1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC000828870030 604562164 /nfs/dbraw/zinc/56/21/64/604562164.db2.gz JRFUMSXOHQYOKC-QFIPXVFZSA-N -1 3 398.507 3.093 20 0 GGADHM Cc1cc([C@@H](C)OC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)oc1C(=O)[O-] ZINC000832871633 604572791 /nfs/dbraw/zinc/57/27/91/604572791.db2.gz CQJIRNCECHPSTJ-PWSUYJOCSA-N -1 3 393.342 3.222 20 0 GGADHM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)sc1Cc1cccc(C)c1 ZINC000826298280 607701027 /nfs/dbraw/zinc/70/10/27/607701027.db2.gz LOOYOGMQUKRTCN-UHFFFAOYSA-N -1 3 379.449 3.111 20 0 GGADHM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)sc1Cc1cccc(C)c1 ZINC000826298280 607701028 /nfs/dbraw/zinc/70/10/28/607701028.db2.gz LOOYOGMQUKRTCN-UHFFFAOYSA-N -1 3 379.449 3.111 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000833185335 604587664 /nfs/dbraw/zinc/58/76/64/604587664.db2.gz GRDBNHHJAJXRMW-OTWHNJEPSA-N -1 3 396.491 3.160 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000833185338 604587738 /nfs/dbraw/zinc/58/77/38/604587738.db2.gz GRDBNHHJAJXRMW-QRVBRYPASA-N -1 3 396.491 3.160 20 0 GGADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459998 607701851 /nfs/dbraw/zinc/70/18/51/607701851.db2.gz JANPJRPFLZSYBM-UHFFFAOYSA-N -1 3 385.840 3.148 20 0 GGADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459998 607701853 /nfs/dbraw/zinc/70/18/53/607701853.db2.gz JANPJRPFLZSYBM-UHFFFAOYSA-N -1 3 385.840 3.148 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cccc1NC(=O)c1ccccc1 ZINC000826242332 607702657 /nfs/dbraw/zinc/70/26/57/607702657.db2.gz KMGPVBIIKYHRKS-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cccc1NC(=O)c1ccccc1 ZINC000826242332 607702659 /nfs/dbraw/zinc/70/26/59/607702659.db2.gz KMGPVBIIKYHRKS-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(CC(=O)NC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833538482 604607491 /nfs/dbraw/zinc/60/74/91/604607491.db2.gz CRPMCXPMTFFXET-MRXNPFEDSA-N -1 3 388.508 3.199 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000826244881 607702677 /nfs/dbraw/zinc/70/26/77/607702677.db2.gz GJQZBTLRSIPRKK-MSOLQXFVSA-N -1 3 381.480 3.319 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000826244881 607702679 /nfs/dbraw/zinc/70/26/79/607702679.db2.gz GJQZBTLRSIPRKK-MSOLQXFVSA-N -1 3 381.480 3.319 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833541534 604610860 /nfs/dbraw/zinc/61/08/60/604610860.db2.gz NKSHUQVPNMYNCS-NVXWUHKLSA-N -1 3 392.496 3.275 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439247 604615315 /nfs/dbraw/zinc/61/53/15/604615315.db2.gz LOLLKOWHGQXRBZ-IRXDYDNUSA-N -1 3 377.485 3.467 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000833544102 604620666 /nfs/dbraw/zinc/62/06/66/604620666.db2.gz XBGWFVATBFLUJW-MRXNPFEDSA-N -1 3 388.508 3.199 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000826246722 607704382 /nfs/dbraw/zinc/70/43/82/607704382.db2.gz KDDMDVFEKNXPAR-KRWDZBQOSA-N -1 3 375.432 3.351 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000826246722 607704383 /nfs/dbraw/zinc/70/43/83/607704383.db2.gz KDDMDVFEKNXPAR-KRWDZBQOSA-N -1 3 375.432 3.351 20 0 GGADHM CC(=O)N1CC[C@@H](NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c2ccccc21 ZINC000833393997 604638813 /nfs/dbraw/zinc/63/88/13/604638813.db2.gz NALKTQVBGWXDHP-LJQANCHMSA-N -1 3 382.460 3.354 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccccc2-n2ccc(C)n2)C(=O)[O-])c1 ZINC000832056926 604644823 /nfs/dbraw/zinc/64/48/23/604644823.db2.gz KSXASZRGDYFLPT-HXUWFJFHSA-N -1 3 381.432 3.113 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833636725 604653794 /nfs/dbraw/zinc/65/37/94/604653794.db2.gz BRYZUZBUFBQCSM-IBGZPJMESA-N -1 3 391.855 3.209 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000826244559 607706140 /nfs/dbraw/zinc/70/61/40/607706140.db2.gz WZGAFOWQPXUNAY-UHFFFAOYSA-N -1 3 391.475 3.366 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000826244559 607706141 /nfs/dbraw/zinc/70/61/41/607706141.db2.gz WZGAFOWQPXUNAY-UHFFFAOYSA-N -1 3 391.475 3.366 20 0 GGADHM O=C([O-])N1CCC(Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CC1 ZINC000833106007 604658722 /nfs/dbraw/zinc/65/87/22/604658722.db2.gz OADOSDAVERLMNP-UHFFFAOYSA-N -1 3 388.512 3.446 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000833752200 604663648 /nfs/dbraw/zinc/66/36/48/604663648.db2.gz DAIYHECKXYNDKJ-UHFFFAOYSA-N -1 3 385.508 3.075 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccc(C)cc2)cc1 ZINC000826189214 607706838 /nfs/dbraw/zinc/70/68/38/607706838.db2.gz PYWFAILAPGANSR-IBGZPJMESA-N -1 3 388.431 3.031 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccc(C)cc2)cc1 ZINC000826189214 607706839 /nfs/dbraw/zinc/70/68/39/607706839.db2.gz PYWFAILAPGANSR-IBGZPJMESA-N -1 3 388.431 3.031 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1)C(=O)[O-] ZINC000833541217 604681417 /nfs/dbraw/zinc/68/14/17/604681417.db2.gz MLOAYLJHSUESIK-UZLBHIALSA-N -1 3 377.481 3.089 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264350 604744277 /nfs/dbraw/zinc/74/42/77/604744277.db2.gz ABIMNFNWTVFVMD-UZLBHIALSA-N -1 3 388.508 3.324 20 0 GGADHM Cc1ccc([C@H](CNCc2ccc(C(=O)[O-])cc2F)N2CCOCC2)s1 ZINC000833749125 604758484 /nfs/dbraw/zinc/75/84/84/604758484.db2.gz NIABTTWCXZAFAR-KRWDZBQOSA-N -1 3 378.469 3.057 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544494 604759114 /nfs/dbraw/zinc/75/91/14/604759114.db2.gz YQOCZWAVYXMZOZ-WBVHZDCISA-N -1 3 377.481 3.482 20 0 GGADHM Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832932551 604772587 /nfs/dbraw/zinc/77/25/87/604772587.db2.gz OTOPTNNNYYMZMI-UHFFFAOYSA-N -1 3 392.452 3.229 20 0 GGADHM Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000832932576 604772721 /nfs/dbraw/zinc/77/27/21/604772721.db2.gz PPHVJLBSJIYGNO-UHFFFAOYSA-N -1 3 388.489 3.398 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1)C(=O)[O-] ZINC000833544498 604772885 /nfs/dbraw/zinc/77/28/85/604772885.db2.gz YTKSLUUARCEPSA-VYDXJSESSA-N -1 3 392.496 3.416 20 0 GGADHM CCc1[nH]c(C(=O)N[C@@H](CN2CCCC2)c2ccc(OC)cc2)c(C)c1C(=O)[O-] ZINC000833666994 604779794 /nfs/dbraw/zinc/77/97/94/604779794.db2.gz BYYONWVEWLKSDM-SFHVURJKSA-N -1 3 399.491 3.159 20 0 GGADHM CC[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccc(OC)cc1 ZINC000825080668 607714956 /nfs/dbraw/zinc/71/49/56/607714956.db2.gz BJAHKTQBIODIIU-ZDUSSCGKSA-N -1 3 381.436 3.406 20 0 GGADHM CC[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccc(OC)cc1 ZINC000825080668 607714958 /nfs/dbraw/zinc/71/49/58/607714958.db2.gz BJAHKTQBIODIIU-ZDUSSCGKSA-N -1 3 381.436 3.406 20 0 GGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000829142676 604797858 /nfs/dbraw/zinc/79/78/58/604797858.db2.gz VTGREWLZEFPILR-JLZZUVOBSA-N -1 3 387.307 3.162 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cccc1C(=O)Nc1ccccc1 ZINC000826242449 607715261 /nfs/dbraw/zinc/71/52/61/607715261.db2.gz PFAAZKDOWHBTQJ-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cccc1C(=O)Nc1ccccc1 ZINC000826242449 607715262 /nfs/dbraw/zinc/71/52/62/607715262.db2.gz PFAAZKDOWHBTQJ-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000829143063 604798117 /nfs/dbraw/zinc/79/81/17/604798117.db2.gz XGDGZNFZKJVLPA-DQYPLSBCSA-N -1 3 387.307 3.162 20 0 GGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000829142679 604798157 /nfs/dbraw/zinc/79/81/57/604798157.db2.gz VTGREWLZEFPILR-OAUYIBNBSA-N -1 3 387.307 3.162 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c(C)c2)CC1 ZINC000829781490 604804383 /nfs/dbraw/zinc/80/43/83/604804383.db2.gz YHAVWEYICCMAKJ-UHFFFAOYSA-N -1 3 385.439 3.227 20 0 GGADHM C[C@]1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569862 604817150 /nfs/dbraw/zinc/81/71/50/604817150.db2.gz PRRSXZJLJMUUOA-JXFKEZNVSA-N -1 3 387.505 3.196 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000833417352 604857245 /nfs/dbraw/zinc/85/72/45/604857245.db2.gz QTNQDYKBRVNTQH-LPHOPBHVSA-N -1 3 394.471 3.295 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000833417354 604857302 /nfs/dbraw/zinc/85/73/02/604857302.db2.gz QTNQDYKBRVNTQH-VQIMIIECSA-N -1 3 394.471 3.295 20 0 GGADHM CC1(C)CCC(=CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000824796255 607720930 /nfs/dbraw/zinc/72/09/30/607720930.db2.gz NKHZCAAYSJYLME-UHFFFAOYSA-N -1 3 394.435 3.487 20 0 GGADHM CC1(C)CCC(=CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000824796255 607720931 /nfs/dbraw/zinc/72/09/31/607720931.db2.gz NKHZCAAYSJYLME-UHFFFAOYSA-N -1 3 394.435 3.487 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000830596375 604911227 /nfs/dbraw/zinc/91/12/27/604911227.db2.gz KDQBYXBHUMUOJK-MRXNPFEDSA-N -1 3 391.855 3.228 20 0 GGADHM CCCN(C(=O)c1cccs1)C1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833651272 604921344 /nfs/dbraw/zinc/92/13/44/604921344.db2.gz IXVWBQOTUYXDHO-GOSISDBHSA-N -1 3 387.505 3.286 20 0 GGADHM O=C([O-])c1n[nH]c2ccc(NC(=O)N[C@@H](CN3CCCC3)c3ccccc3)cc21 ZINC000833770127 604924874 /nfs/dbraw/zinc/92/48/74/604924874.db2.gz XUKQFKACIAGSDI-SFHVURJKSA-N -1 3 393.447 3.220 20 0 GGADHM O=C([O-])COc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1Cl ZINC000833255376 604929008 /nfs/dbraw/zinc/92/90/08/604929008.db2.gz IUKUVITXBVFFEU-UHFFFAOYSA-N -1 3 395.887 3.286 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000322180746 604936500 /nfs/dbraw/zinc/93/65/00/604936500.db2.gz PPDRFLWZGWLLHI-GFCCVEGCSA-N -1 3 383.286 3.210 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000322180747 604936594 /nfs/dbraw/zinc/93/65/94/604936594.db2.gz PPDRFLWZGWLLHI-LBPRGKRZSA-N -1 3 383.286 3.210 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000833421102 604938277 /nfs/dbraw/zinc/93/82/77/604938277.db2.gz HZYZXONNUMMRQD-KRWDZBQOSA-N -1 3 387.524 3.438 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000833421104 604938728 /nfs/dbraw/zinc/93/87/28/604938728.db2.gz HZYZXONNUMMRQD-QGZVFWFLSA-N -1 3 387.524 3.438 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409566 604942408 /nfs/dbraw/zinc/94/24/08/604942408.db2.gz OVIKLRPFZHDOHI-QWHCGFSZSA-N -1 3 384.423 3.438 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000833417564 604942615 /nfs/dbraw/zinc/94/26/15/604942615.db2.gz VAWAFBMTFLHBHG-LRDDRELGSA-N -1 3 382.863 3.407 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409565 604943067 /nfs/dbraw/zinc/94/30/67/604943067.db2.gz OVIKLRPFZHDOHI-OLZOCXBDSA-N -1 3 384.423 3.438 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)C2=O)c1 ZINC000833749424 604948927 /nfs/dbraw/zinc/94/89/27/604948927.db2.gz LKGAYSVVRIOZFX-NVXWUHKLSA-N -1 3 376.472 3.452 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000827949667 604968857 /nfs/dbraw/zinc/96/88/57/604968857.db2.gz MHNOMGDEHZZKEV-HIFRSBDPSA-N -1 3 388.493 3.117 20 0 GGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000833600225 604970160 /nfs/dbraw/zinc/97/01/60/604970160.db2.gz KGKRJJMKZADPPB-GOEBONIOSA-N -1 3 378.469 3.141 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000833600227 604970229 /nfs/dbraw/zinc/97/02/29/604970229.db2.gz KGKRJJMKZADPPB-ZBFHGGJFSA-N -1 3 378.469 3.141 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccc(C(=O)[O-])c(F)c2)C2CC2)C1 ZINC000833437075 604971866 /nfs/dbraw/zinc/97/18/66/604971866.db2.gz PMWNRCRUCNLENW-HNNXBMFYSA-N -1 3 378.444 3.498 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccc(C(=O)[O-])c(F)c2)C2CC2)C1 ZINC000833437076 604972005 /nfs/dbraw/zinc/97/20/05/604972005.db2.gz PMWNRCRUCNLENW-OAHLLOKOSA-N -1 3 378.444 3.498 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000833415993 604974226 /nfs/dbraw/zinc/97/42/26/604974226.db2.gz WAGSTRAZLGBUAI-RBUKOAKNSA-N -1 3 387.524 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000833415187 604974342 /nfs/dbraw/zinc/97/43/42/604974342.db2.gz PYUNHENTRLPXHL-JKSUJKDBSA-N -1 3 393.553 3.417 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000833414194 604978472 /nfs/dbraw/zinc/97/84/72/604978472.db2.gz ITTOPDAZYBZFHT-OALUTQOASA-N -1 3 387.524 3.183 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2nc(CCC(=O)[O-])cs2)N(C)C)cc1 ZINC000830238549 604978478 /nfs/dbraw/zinc/97/84/78/604978478.db2.gz SBINZAMMOKLYMQ-MRXNPFEDSA-N -1 3 390.509 3.147 20 0 GGADHM C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833547726 604986516 /nfs/dbraw/zinc/98/65/16/604986516.db2.gz INFWOWSOXRKBNS-MGPUTAFESA-N -1 3 382.460 3.157 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CN1Cc1ccccc1 ZINC000833601549 604988153 /nfs/dbraw/zinc/98/81/53/604988153.db2.gz VYCJMOIQLBFIKY-QRQLOZEOSA-N -1 3 387.524 3.182 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000833416402 604992404 /nfs/dbraw/zinc/99/24/04/604992404.db2.gz YSHLOJVQZMTRAR-MSOLQXFVSA-N -1 3 390.499 3.387 20 0 GGADHM CCc1ccc([C@@H](C)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1 ZINC000833671276 605004113 /nfs/dbraw/zinc/00/41/13/605004113.db2.gz VXCSHVPQJDRKBV-OAHLLOKOSA-N -1 3 375.490 3.099 20 0 GGADHM C[C@@]1(NCc2nnc(-c3ccc(Br)o3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569894 605059863 /nfs/dbraw/zinc/05/98/63/605059863.db2.gz QEOCUPMPJTVSDN-RFAUZJTJSA-N -1 3 384.230 3.215 20 0 GGADHM C[C@]1(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC000833569235 605062668 /nfs/dbraw/zinc/06/26/68/605062668.db2.gz KQFTWCXUUGXPIB-PXAZEXFGSA-N -1 3 383.370 3.477 20 0 GGADHM O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826506829 607732310 /nfs/dbraw/zinc/73/23/10/607732310.db2.gz CGLYASNSZXHARS-HOTGVXAUSA-N -1 3 375.354 3.198 20 0 GGADHM O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826506830 607732549 /nfs/dbraw/zinc/73/25/49/607732549.db2.gz CGLYASNSZXHARS-HZPDHXFCSA-N -1 3 375.354 3.198 20 0 GGADHM C[C@H]1CN([C@@H](CNCc2ccc(C(=O)[O-])o2)c2c(F)cccc2Cl)CCO1 ZINC000833625023 605074576 /nfs/dbraw/zinc/07/45/76/605074576.db2.gz MXGQRVIOUFKODH-LRDDRELGSA-N -1 3 396.846 3.322 20 0 GGADHM C[C@H]1CN([C@H](CNCc2ccoc2C(=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000833625001 605074882 /nfs/dbraw/zinc/07/48/82/605074882.db2.gz MQRMMHNRMPFHAM-BLLLJJGKSA-N -1 3 396.846 3.322 20 0 GGADHM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1OCC(=O)N(C)C ZINC000833645514 605079117 /nfs/dbraw/zinc/07/91/17/605079117.db2.gz WBERLOQLAKTJOX-OAHLLOKOSA-N -1 3 376.478 3.154 20 0 GGADHM C[C@@H](Oc1ccc(CNCc2ccc(Cn3ccccc3=O)cc2)cc1)C(=O)[O-] ZINC000833542366 605083601 /nfs/dbraw/zinc/08/36/01/605083601.db2.gz UWAXAMWBDRHQDX-QGZVFWFLSA-N -1 3 392.455 3.038 20 0 GGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824394854 607733240 /nfs/dbraw/zinc/73/32/40/607733240.db2.gz ZGFNKZNQIIXOPC-PSASIEDQSA-N -1 3 384.387 3.266 20 0 GGADHM C[C@H](C[C@@H](O)c1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824394854 607733241 /nfs/dbraw/zinc/73/32/41/607733241.db2.gz ZGFNKZNQIIXOPC-PSASIEDQSA-N -1 3 384.387 3.266 20 0 GGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824883139 607733796 /nfs/dbraw/zinc/73/37/96/607733796.db2.gz FRPITRLZFIWJLT-NEPJUHHUSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824883139 607733797 /nfs/dbraw/zinc/73/37/97/607733797.db2.gz FRPITRLZFIWJLT-NEPJUHHUSA-N -1 3 392.891 3.260 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)CCNCc1ccoc1C(=O)[O-] ZINC000833747550 605094830 /nfs/dbraw/zinc/09/48/30/605094830.db2.gz VICCEKIRXJVMFH-UHFFFAOYSA-N -1 3 381.226 3.167 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)CCNCc1ccc(C(=O)[O-])o1 ZINC000833747210 605094839 /nfs/dbraw/zinc/09/48/39/605094839.db2.gz DHYIMWMACGNKRC-UHFFFAOYSA-N -1 3 381.226 3.167 20 0 GGADHM CCC(CC)(CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000382610347 605096139 /nfs/dbraw/zinc/09/61/39/605096139.db2.gz HVZDXEDZBATDSD-KRWDZBQOSA-N -1 3 375.513 3.183 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833440455 605103407 /nfs/dbraw/zinc/10/34/07/605103407.db2.gz YVDXZQNJUFVCOE-PBHICJAKSA-N -1 3 377.485 3.324 20 0 GGADHM COc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccccc2OC)cc1 ZINC000826188695 607735895 /nfs/dbraw/zinc/73/58/95/607735895.db2.gz DEXGNFMPFVAYNT-HXUWFJFHSA-N -1 3 388.431 3.480 20 0 GGADHM COc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccccc2OC)cc1 ZINC000826188695 607735896 /nfs/dbraw/zinc/73/58/96/607735896.db2.gz DEXGNFMPFVAYNT-HXUWFJFHSA-N -1 3 388.431 3.480 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000320271438 605130832 /nfs/dbraw/zinc/13/08/32/605130832.db2.gz LYVWERMJKIONRY-UHFFFAOYSA-N -1 3 386.290 3.199 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccsc1C(=O)[O-] ZINC000833637628 605142873 /nfs/dbraw/zinc/14/28/73/605142873.db2.gz LYHVWJAIFUXNNH-QGZVFWFLSA-N -1 3 397.884 3.271 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000833412367 605175015 /nfs/dbraw/zinc/17/50/15/605175015.db2.gz JQMVGGRXPQJZMN-FXAWDEMLSA-N -1 3 382.460 3.068 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccccc1 ZINC000833415915 605175880 /nfs/dbraw/zinc/17/58/80/605175880.db2.gz YONWOQJDUHEUEN-HXUWFJFHSA-N -1 3 380.488 3.276 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 ZINC000833413987 605182998 /nfs/dbraw/zinc/18/29/98/605182998.db2.gz PKBNCCHLASPVED-FQEVSTJZSA-N -1 3 379.460 3.065 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 ZINC000833415743 605185290 /nfs/dbraw/zinc/18/52/90/605185290.db2.gz XOZDXIGTVPRMIZ-KRWDZBQOSA-N -1 3 387.505 3.402 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCOC(c1ccccc1)c1ccccc1 ZINC000833629803 605195696 /nfs/dbraw/zinc/19/56/96/605195696.db2.gz ZZILJFOKTOCLCF-LJQANCHMSA-N -1 3 382.504 3.273 20 0 GGADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[NH2+][C@H](C)c1ccccc1 ZINC000833477686 605202088 /nfs/dbraw/zinc/20/20/88/605202088.db2.gz LWNMSCREOLODJW-RHSMWYFYSA-N -1 3 394.493 3.022 20 0 GGADHM CC(C)C(=O)NC[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833463685 605202822 /nfs/dbraw/zinc/20/28/22/605202822.db2.gz PXVKYZSUIALDRX-BBRMVZONSA-N -1 3 397.313 3.059 20 0 GGADHM CC1(C2CCN([C@H](C(=O)[O-])c3cccc(Br)c3)CC2)OCCO1 ZINC000833565137 605207136 /nfs/dbraw/zinc/20/71/36/605207136.db2.gz XMIULPDGIFVEGG-HNNXBMFYSA-N -1 3 384.270 3.050 20 0 GGADHM CC(C)c1cnc(CN(C)[C@@H]2CCN(CCOc3ccccc3C(=O)[O-])C2)o1 ZINC000768786481 605212959 /nfs/dbraw/zinc/21/29/59/605212959.db2.gz WUCRHBOUVVVQLR-MRXNPFEDSA-N -1 3 387.480 3.081 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccccc1C(=O)[O-] ZINC000833600681 605218415 /nfs/dbraw/zinc/21/84/15/605218415.db2.gz MSTDHPWZRFWOJR-GJZGRUSLSA-N -1 3 378.469 3.141 20 0 GGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccccc1C(=O)[O-] ZINC000833600684 605218430 /nfs/dbraw/zinc/21/84/30/605218430.db2.gz MSTDHPWZRFWOJR-LSDHHAIUSA-N -1 3 378.469 3.141 20 0 GGADHM O=C(Nc1cccc(Cl)c1SCC(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456659 607741525 /nfs/dbraw/zinc/74/15/25/607741525.db2.gz QGVCFIRTYZUHLO-UHFFFAOYSA-N -1 3 384.799 3.458 20 0 GGADHM O=C(Nc1cccc(Cl)c1SCC(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456659 607741526 /nfs/dbraw/zinc/74/15/26/607741526.db2.gz QGVCFIRTYZUHLO-UHFFFAOYSA-N -1 3 384.799 3.458 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCOc1ccccc1C(=O)[O-] ZINC000833436508 605222161 /nfs/dbraw/zinc/22/21/61/605222161.db2.gz JDMVTVVAOLTWAL-CVEARBPZSA-N -1 3 390.480 3.237 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccccc1 ZINC000833411478 605241711 /nfs/dbraw/zinc/24/17/11/605241711.db2.gz OKTWQNWUCPPQIS-IERDGZPVSA-N -1 3 396.491 3.062 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccccc1 ZINC000833411479 605241900 /nfs/dbraw/zinc/24/19/00/605241900.db2.gz OKTWQNWUCPPQIS-IIBYNOLFSA-N -1 3 396.491 3.062 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833417847 605244672 /nfs/dbraw/zinc/24/46/72/605244672.db2.gz YVLCYNKBYLYTHN-WBMJQRKESA-N -1 3 382.863 3.407 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833417841 605244710 /nfs/dbraw/zinc/24/47/10/605244710.db2.gz YVLCYNKBYLYTHN-LRDDRELGSA-N -1 3 382.863 3.407 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)ccc1OC ZINC000833712350 605260738 /nfs/dbraw/zinc/26/07/38/605260738.db2.gz FQLPUPUJHLQBQK-MRXNPFEDSA-N -1 3 397.349 3.416 20 0 GGADHM CCOC(=O)N(C)C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833659285 605264847 /nfs/dbraw/zinc/26/48/47/605264847.db2.gz UAERVPJSKYVSDI-HNNXBMFYSA-N -1 3 388.386 3.384 20 0 GGADHM CC(C)N1C(=O)C[C@@H](NCc2c[nH]c(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833500549 605267602 /nfs/dbraw/zinc/26/76/02/605267602.db2.gz LXRKNSQKEBLGDD-QAPCUYQASA-N -1 3 393.846 3.346 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OCC(=O)[O-])cc1 ZINC000833436259 605309430 /nfs/dbraw/zinc/30/94/30/605309430.db2.gz FGDBOZCDHMFNTH-SJORKVTESA-N -1 3 390.480 3.124 20 0 GGADHM CC(C)N1C(=O)C[C@H](NCc2ccc(C(=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833499391 605313010 /nfs/dbraw/zinc/31/30/10/605313010.db2.gz GGWZHFRMSVTAIV-WMZOPIPTSA-N -1 3 393.846 3.346 20 0 GGADHM COc1cc(OC)c(C2CCN(C[C@@H]3CC(C(=O)[O-])=C(C)O3)CC2)c(OC)c1 ZINC000833729036 605321064 /nfs/dbraw/zinc/32/10/64/605321064.db2.gz OXBPAJCIBLZMDK-INIZCTEOSA-N -1 3 391.464 3.039 20 0 GGADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)O1 ZINC000833585699 605352773 /nfs/dbraw/zinc/35/27/73/605352773.db2.gz TXBOGWFVVBVCOD-QGZVFWFLSA-N -1 3 394.512 3.245 20 0 GGADHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833650225 605361652 /nfs/dbraw/zinc/36/16/52/605361652.db2.gz YKHDJSWTSJKMRQ-JGFGOQIWSA-N -1 3 382.863 3.232 20 0 GGADHM CCc1cc(N2CCC(N[C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)ncn1 ZINC000833671174 605361767 /nfs/dbraw/zinc/36/17/67/605361767.db2.gz GNPOLYJQOWIZEN-GOSISDBHSA-N -1 3 392.862 3.216 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833436211 605363749 /nfs/dbraw/zinc/36/37/49/605363749.db2.gz GKQVVAHAMHGSJV-NHYWBVRUSA-N -1 3 386.851 3.451 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000833405308 605424745 /nfs/dbraw/zinc/42/47/45/605424745.db2.gz YYYZRCCHKJHYRY-CJNGLKHVSA-N -1 3 398.425 3.206 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc(N(C)C)cc2F)cc1-c1nnn[n-]1 ZINC000824329253 607754905 /nfs/dbraw/zinc/75/49/05/607754905.db2.gz NDLUUJPEHMLAPO-UHFFFAOYSA-N -1 3 384.415 3.111 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc(N(C)C)cc2F)cc1-c1nn[n-]n1 ZINC000824329253 607754906 /nfs/dbraw/zinc/75/49/06/607754906.db2.gz NDLUUJPEHMLAPO-UHFFFAOYSA-N -1 3 384.415 3.111 20 0 GGADHM C[C@@]1(NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CCO[C@@H]1C1CC1 ZINC000833568109 605446521 /nfs/dbraw/zinc/44/65/21/605446521.db2.gz DPAKWSWFNOJPLY-NVXWUHKLSA-N -1 3 387.263 3.177 20 0 GGADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000833462871 605474416 /nfs/dbraw/zinc/47/44/16/605474416.db2.gz MYHAMYRMKUQORA-UHFFFAOYSA-N -1 3 396.487 3.085 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826452618 607757930 /nfs/dbraw/zinc/75/79/30/607757930.db2.gz ZOKWZGBJDWAAKH-AWEZNQCLSA-N -1 3 384.827 3.205 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826452618 607757931 /nfs/dbraw/zinc/75/79/31/607757931.db2.gz ZOKWZGBJDWAAKH-AWEZNQCLSA-N -1 3 384.827 3.205 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826456338 607758080 /nfs/dbraw/zinc/75/80/80/607758080.db2.gz ZFKPGPPXEOQHLR-AWEZNQCLSA-N -1 3 384.827 3.205 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826456338 607758081 /nfs/dbraw/zinc/75/80/81/607758081.db2.gz ZFKPGPPXEOQHLR-AWEZNQCLSA-N -1 3 384.827 3.205 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cc1-c1nnn[n-]1 ZINC000826198834 607758677 /nfs/dbraw/zinc/75/86/77/607758677.db2.gz KCPDCLPSRCXJIS-FZKQIMNGSA-N -1 3 392.463 3.313 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cc1-c1nn[n-]n1 ZINC000826198834 607758678 /nfs/dbraw/zinc/75/86/78/607758678.db2.gz KCPDCLPSRCXJIS-FZKQIMNGSA-N -1 3 392.463 3.313 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000825532532 607760990 /nfs/dbraw/zinc/76/09/90/607760990.db2.gz TWEVQQSKVNOFEH-UHFFFAOYSA-N -1 3 398.398 3.146 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000825532532 607760991 /nfs/dbraw/zinc/76/09/91/607760991.db2.gz TWEVQQSKVNOFEH-UHFFFAOYSA-N -1 3 398.398 3.146 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1-c1nnn[n-]1 ZINC000825544991 607761243 /nfs/dbraw/zinc/76/12/43/607761243.db2.gz KCPKPTJQHWSWNY-UHFFFAOYSA-N -1 3 380.408 3.304 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC000825544991 607761244 /nfs/dbraw/zinc/76/12/44/607761244.db2.gz KCPKPTJQHWSWNY-UHFFFAOYSA-N -1 3 380.408 3.304 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1-c1nnn[n-]1 ZINC000825545653 607761403 /nfs/dbraw/zinc/76/14/03/607761403.db2.gz UUYWBRHHGZALOO-UHFFFAOYSA-N -1 3 397.420 3.230 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1-c1nn[n-]n1 ZINC000825545653 607761404 /nfs/dbraw/zinc/76/14/04/607761404.db2.gz UUYWBRHHGZALOO-UHFFFAOYSA-N -1 3 397.420 3.230 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Cc2cccc(CC)c2)cc1-c1nnn[n-]1 ZINC000825531935 607761941 /nfs/dbraw/zinc/76/19/41/607761941.db2.gz NJZLQPFZDXDBCK-UHFFFAOYSA-N -1 3 394.435 3.179 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Cc2cccc(CC)c2)cc1-c1nn[n-]n1 ZINC000825531935 607761942 /nfs/dbraw/zinc/76/19/42/607761942.db2.gz NJZLQPFZDXDBCK-UHFFFAOYSA-N -1 3 394.435 3.179 20 0 GGADHM O=C(NCCOc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826438798 607764841 /nfs/dbraw/zinc/76/48/41/607764841.db2.gz QXRJFNSQGTZQCE-UHFFFAOYSA-N -1 3 393.234 3.374 20 0 GGADHM O=C(NCCOc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826438798 607764842 /nfs/dbraw/zinc/76/48/42/607764842.db2.gz QXRJFNSQGTZQCE-UHFFFAOYSA-N -1 3 393.234 3.374 20 0 GGADHM O=C(NCC1([C@H](O)c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826433309 607764894 /nfs/dbraw/zinc/76/48/94/607764894.db2.gz BCNUDQKZULRWDM-MRXNPFEDSA-N -1 3 398.854 3.155 20 0 GGADHM O=C(NCC1([C@H](O)c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826433309 607764895 /nfs/dbraw/zinc/76/48/95/607764895.db2.gz BCNUDQKZULRWDM-MRXNPFEDSA-N -1 3 398.854 3.155 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(C)CC2CCCC2)cc1-c1nnn[n-]1 ZINC000825530819 607766688 /nfs/dbraw/zinc/76/66/88/607766688.db2.gz GCUGWHPLYGOJQR-UHFFFAOYSA-N -1 3 387.444 3.089 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(C)CC2CCCC2)cc1-c1nn[n-]n1 ZINC000825530819 607766689 /nfs/dbraw/zinc/76/66/89/607766689.db2.gz GCUGWHPLYGOJQR-UHFFFAOYSA-N -1 3 387.444 3.089 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000825538216 607766855 /nfs/dbraw/zinc/76/68/55/607766855.db2.gz CPGOYJZNDVNXCQ-LBPRGKRZSA-N -1 3 395.423 3.318 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000825538216 607766856 /nfs/dbraw/zinc/76/68/56/607766856.db2.gz CPGOYJZNDVNXCQ-LBPRGKRZSA-N -1 3 395.423 3.318 20 0 GGADHM CCn1nc(C)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1C ZINC000825806892 607770674 /nfs/dbraw/zinc/77/06/74/607770674.db2.gz IWKJFWWPIYJHCE-UHFFFAOYSA-N -1 3 394.464 3.076 20 0 GGADHM CCn1nc(C)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1C ZINC000825806892 607770675 /nfs/dbraw/zinc/77/06/75/607770675.db2.gz IWKJFWWPIYJHCE-UHFFFAOYSA-N -1 3 394.464 3.076 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc(Cl)ccn1 ZINC000826459597 607770732 /nfs/dbraw/zinc/77/07/32/607770732.db2.gz QFDXDSHIUTVZHA-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc(Cl)ccn1 ZINC000826459597 607770733 /nfs/dbraw/zinc/77/07/33/607770733.db2.gz QFDXDSHIUTVZHA-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM COc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826221350 607771237 /nfs/dbraw/zinc/77/12/37/607771237.db2.gz ANXZEOTVRHZVFV-UHFFFAOYSA-N -1 3 384.446 3.313 20 0 GGADHM COc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826221350 607771238 /nfs/dbraw/zinc/77/12/38/607771238.db2.gz ANXZEOTVRHZVFV-UHFFFAOYSA-N -1 3 384.446 3.313 20 0 GGADHM Cc1cncc(C=CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826319369 607771365 /nfs/dbraw/zinc/77/13/65/607771365.db2.gz ZOSJCZPJBYUZIW-WAYWQWQTSA-N -1 3 389.444 3.346 20 0 GGADHM Cc1cncc(C=CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826319369 607771366 /nfs/dbraw/zinc/77/13/66/607771366.db2.gz ZOSJCZPJBYUZIW-WAYWQWQTSA-N -1 3 389.444 3.346 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Oc3cccc(CC(=O)[O-])c3)cc2)CC1 ZINC000833498999 605903779 /nfs/dbraw/zinc/90/37/79/605903779.db2.gz KKMDWWARCMVYLJ-UHFFFAOYSA-N -1 3 382.460 3.063 20 0 GGADHM O=C(CCn1cccc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822986970 606022518 /nfs/dbraw/zinc/02/25/18/606022518.db2.gz OULQBUXDYNSXQQ-UHFFFAOYSA-N -1 3 378.461 3.103 20 0 GGADHM c1cnn(Cc2ccccc2CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000823786980 606030739 /nfs/dbraw/zinc/03/07/39/606030739.db2.gz GKTCKZNFWIDNFO-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM c1cnn(Cc2ccccc2CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000823786980 606030744 /nfs/dbraw/zinc/03/07/44/606030744.db2.gz GKTCKZNFWIDNFO-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM O[C@@H](c1ccccc1)C1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000823697387 606037293 /nfs/dbraw/zinc/03/72/93/606037293.db2.gz KMBWISSGTIUIHY-FQEVSTJZSA-N -1 3 386.459 3.365 20 0 GGADHM O[C@@H](c1ccccc1)C1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000823697387 606037296 /nfs/dbraw/zinc/03/72/96/606037296.db2.gz KMBWISSGTIUIHY-FQEVSTJZSA-N -1 3 386.459 3.365 20 0 GGADHM COc1cccc(Oc2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cn2)c1 ZINC000821877938 606051110 /nfs/dbraw/zinc/05/11/10/606051110.db2.gz ZUKWKUAESWVARC-UHFFFAOYSA-N -1 3 375.392 3.070 20 0 GGADHM COc1cccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cn2)c1 ZINC000821877938 606051115 /nfs/dbraw/zinc/05/11/15/606051115.db2.gz ZUKWKUAESWVARC-UHFFFAOYSA-N -1 3 375.392 3.070 20 0 GGADHM COc1cc(CN(C)c2nc3ccccc3cc2-c2nnn[n-]2)cc(OC)c1 ZINC000821716557 606054499 /nfs/dbraw/zinc/05/44/99/606054499.db2.gz AIBVXOSBDPHDBW-UHFFFAOYSA-N -1 3 376.420 3.069 20 0 GGADHM COc1cc(CN(C)c2nc3ccccc3cc2-c2nn[n-]n2)cc(OC)c1 ZINC000821716557 606054505 /nfs/dbraw/zinc/05/45/05/606054505.db2.gz AIBVXOSBDPHDBW-UHFFFAOYSA-N -1 3 376.420 3.069 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCOc1ccc(C)c(C)c1 ZINC000821699293 606101996 /nfs/dbraw/zinc/10/19/96/606101996.db2.gz KHRDKQKQQZDIHP-UHFFFAOYSA-N -1 3 382.420 3.257 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCOc1ccc(C)c(C)c1 ZINC000821699293 606101997 /nfs/dbraw/zinc/10/19/97/606101997.db2.gz KHRDKQKQQZDIHP-UHFFFAOYSA-N -1 3 382.420 3.257 20 0 GGADHM Cc1cc(N2CCC(Nc3c(Cl)cccc3-c3nnn[n-]3)CC2)nc(C)n1 ZINC000822207176 606102173 /nfs/dbraw/zinc/10/21/73/606102173.db2.gz NHMWOKPMEKNAMZ-UHFFFAOYSA-N -1 3 384.875 3.008 20 0 GGADHM Cc1cc(N2CCC(Nc3c(Cl)cccc3-c3nn[n-]n3)CC2)nc(C)n1 ZINC000822207176 606102177 /nfs/dbraw/zinc/10/21/77/606102177.db2.gz NHMWOKPMEKNAMZ-UHFFFAOYSA-N -1 3 384.875 3.008 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820642820 606104121 /nfs/dbraw/zinc/10/41/21/606104121.db2.gz LVESYLVHVZHBLL-OXJNMPFZSA-N -1 3 375.476 3.279 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820642820 606104123 /nfs/dbraw/zinc/10/41/23/606104123.db2.gz LVESYLVHVZHBLL-OXJNMPFZSA-N -1 3 375.476 3.279 20 0 GGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821883370 606105298 /nfs/dbraw/zinc/10/52/98/606105298.db2.gz UMYQDNOKJICSGV-QGZVFWFLSA-N -1 3 395.463 3.158 20 0 GGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821883370 606105299 /nfs/dbraw/zinc/10/52/99/606105299.db2.gz UMYQDNOKJICSGV-QGZVFWFLSA-N -1 3 395.463 3.158 20 0 GGADHM Cn1cccc1[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822690192 606105847 /nfs/dbraw/zinc/10/58/47/606105847.db2.gz VFYFHBONSMJCDJ-QGZVFWFLSA-N -1 3 382.493 3.051 20 0 GGADHM Cn1cccc1[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822690192 606105849 /nfs/dbraw/zinc/10/58/49/606105849.db2.gz VFYFHBONSMJCDJ-QGZVFWFLSA-N -1 3 382.493 3.051 20 0 GGADHM Cc1sc(NC(=O)CN(C)CCCc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822556523 606107862 /nfs/dbraw/zinc/10/78/62/606107862.db2.gz CLNGOISJGGJGAK-UHFFFAOYSA-N -1 3 384.509 3.048 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@H]2c2ccsc2)c(-c2nnn[n-]2)c1C ZINC000822558519 606108454 /nfs/dbraw/zinc/10/84/54/606108454.db2.gz PXMUODPLNJIIOX-ZDUSSCGKSA-N -1 3 388.522 3.382 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@H]2c2ccsc2)c(-c2nn[n-]n2)c1C ZINC000822558519 606108456 /nfs/dbraw/zinc/10/84/56/606108456.db2.gz PXMUODPLNJIIOX-ZDUSSCGKSA-N -1 3 388.522 3.382 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000820535728 606109809 /nfs/dbraw/zinc/10/98/09/606109809.db2.gz QJAAKPRKVFZAKV-BIENJYKASA-N -1 3 395.438 3.383 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000820535728 606109812 /nfs/dbraw/zinc/10/98/12/606109812.db2.gz QJAAKPRKVFZAKV-BIENJYKASA-N -1 3 395.438 3.383 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3ccc(C)cc32)c(-c2nnn[n-]2)c1C ZINC000822280672 606112066 /nfs/dbraw/zinc/11/20/66/606112066.db2.gz VUKDPNSYPQITEX-UHFFFAOYSA-N -1 3 382.493 3.245 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3ccc(C)cc32)c(-c2nn[n-]n2)c1C ZINC000822280672 606112067 /nfs/dbraw/zinc/11/20/67/606112067.db2.gz VUKDPNSYPQITEX-UHFFFAOYSA-N -1 3 382.493 3.245 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@H](C)[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822558055 606115832 /nfs/dbraw/zinc/11/58/32/606115832.db2.gz LTSMITZCWOCRBX-APPDUMDISA-N -1 3 382.493 3.177 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@H](C)[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822558055 606115834 /nfs/dbraw/zinc/11/58/34/606115834.db2.gz LTSMITZCWOCRBX-APPDUMDISA-N -1 3 382.493 3.177 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@H](C)Oc3ccc(C)cc32)c(-c2nnn[n-]2)c1C ZINC000822279566 606115962 /nfs/dbraw/zinc/11/59/62/606115962.db2.gz AVFHVRMOETZHDL-NSHDSACASA-N -1 3 398.492 3.079 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@H](C)Oc3ccc(C)cc32)c(-c2nn[n-]n2)c1C ZINC000822279566 606115963 /nfs/dbraw/zinc/11/59/63/606115963.db2.gz AVFHVRMOETZHDL-NSHDSACASA-N -1 3 398.492 3.079 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N(C1CC1)C1CCCC1 ZINC000823219565 606116071 /nfs/dbraw/zinc/11/60/71/606116071.db2.gz LVGLUKQVCAXDNV-UHFFFAOYSA-N -1 3 386.525 3.217 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC000823219565 606116072 /nfs/dbraw/zinc/11/60/72/606116072.db2.gz LVGLUKQVCAXDNV-UHFFFAOYSA-N -1 3 386.525 3.217 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3c(F)cccc32)c(-c2nnn[n-]2)c1C ZINC000822557039 606116061 /nfs/dbraw/zinc/11/60/61/606116061.db2.gz FXLWEDJXKVPGED-UHFFFAOYSA-N -1 3 386.456 3.075 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3c(F)cccc32)c(-c2nn[n-]n2)c1C ZINC000822557039 606116063 /nfs/dbraw/zinc/11/60/63/606116063.db2.gz FXLWEDJXKVPGED-UHFFFAOYSA-N -1 3 386.456 3.075 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820642538 606116687 /nfs/dbraw/zinc/11/66/87/606116687.db2.gz JPNDISPAMJKNIJ-GOEBONIOSA-N -1 3 394.454 3.169 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820642538 606116688 /nfs/dbraw/zinc/11/66/88/606116688.db2.gz JPNDISPAMJKNIJ-GOEBONIOSA-N -1 3 394.454 3.169 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717393 606117104 /nfs/dbraw/zinc/11/71/04/606117104.db2.gz QIOBUZBJWVGPEM-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717393 606117106 /nfs/dbraw/zinc/11/71/06/606117106.db2.gz QIOBUZBJWVGPEM-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM Cc1cnc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822389084 606119613 /nfs/dbraw/zinc/11/96/13/606119613.db2.gz KQNFYBILBUDKIF-CYBMUJFWSA-N -1 3 386.481 3.058 20 0 GGADHM Cc1cnc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822389084 606119615 /nfs/dbraw/zinc/11/96/15/606119615.db2.gz KQNFYBILBUDKIF-CYBMUJFWSA-N -1 3 386.481 3.058 20 0 GGADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000822226268 606122444 /nfs/dbraw/zinc/12/24/44/606122444.db2.gz KFUVZISMCAYSRQ-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000822226268 606122445 /nfs/dbraw/zinc/12/24/45/606122445.db2.gz KFUVZISMCAYSRQ-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1csc([C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C(F)(F)F)n1 ZINC000822408334 606128841 /nfs/dbraw/zinc/12/88/41/606128841.db2.gz BOEBFIATXIMPMA-YBJDMEARSA-N -1 3 395.366 3.492 20 0 GGADHM Cc1csc([C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C(F)(F)F)n1 ZINC000822408334 606128843 /nfs/dbraw/zinc/12/88/43/606128843.db2.gz BOEBFIATXIMPMA-YBJDMEARSA-N -1 3 395.366 3.492 20 0 GGADHM Cc1csc([C@@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C(F)(F)F)n1 ZINC000822408333 606128866 /nfs/dbraw/zinc/12/88/66/606128866.db2.gz BOEBFIATXIMPMA-KTRBRXNASA-N -1 3 395.366 3.492 20 0 GGADHM Cc1csc([C@@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C(F)(F)F)n1 ZINC000822408333 606128868 /nfs/dbraw/zinc/12/88/68/606128868.db2.gz BOEBFIATXIMPMA-KTRBRXNASA-N -1 3 395.366 3.492 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823333184 606133425 /nfs/dbraw/zinc/13/34/25/606133425.db2.gz ZSMYYBORGALEGU-QAPCUYQASA-N -1 3 396.426 3.126 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823333184 606133426 /nfs/dbraw/zinc/13/34/26/606133426.db2.gz ZSMYYBORGALEGU-QAPCUYQASA-N -1 3 396.426 3.126 20 0 GGADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000820494964 606135447 /nfs/dbraw/zinc/13/54/47/606135447.db2.gz DOFBTMFJGCOUGL-SNVBAGLBSA-N -1 3 392.337 3.454 20 0 GGADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000820494964 606135449 /nfs/dbraw/zinc/13/54/49/606135449.db2.gz DOFBTMFJGCOUGL-SNVBAGLBSA-N -1 3 392.337 3.454 20 0 GGADHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(C)cc2F)c1-c1nnn[n-]1 ZINC000822227868 606140861 /nfs/dbraw/zinc/14/08/61/606140861.db2.gz YWELXXAJMWYXFX-UHFFFAOYSA-N -1 3 392.394 3.165 20 0 GGADHM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822193351 606146190 /nfs/dbraw/zinc/14/61/90/606146190.db2.gz ULFUKEOIPCWHNP-HNNXBMFYSA-N -1 3 378.432 3.149 20 0 GGADHM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822193351 606146192 /nfs/dbraw/zinc/14/61/92/606146192.db2.gz ULFUKEOIPCWHNP-HNNXBMFYSA-N -1 3 378.432 3.149 20 0 GGADHM CCCCc1ccc(C(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821077743 606146721 /nfs/dbraw/zinc/14/67/21/606146721.db2.gz RPGXRUBCVVWLKZ-UHFFFAOYSA-N -1 3 378.432 3.178 20 0 GGADHM CCCCc1ccc(C(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821077743 606146722 /nfs/dbraw/zinc/14/67/22/606146722.db2.gz RPGXRUBCVVWLKZ-UHFFFAOYSA-N -1 3 378.432 3.178 20 0 GGADHM C[C@H](OC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820480168 606147752 /nfs/dbraw/zinc/14/77/52/606147752.db2.gz FYFQQTXYPXGSFA-QWRGUYRKSA-N -1 3 391.859 3.217 20 0 GGADHM C[C@H](OC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820480168 606147754 /nfs/dbraw/zinc/14/77/54/606147754.db2.gz FYFQQTXYPXGSFA-QWRGUYRKSA-N -1 3 391.859 3.217 20 0 GGADHM CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821597840 606151912 /nfs/dbraw/zinc/15/19/12/606151912.db2.gz JHMDMUVRBUUPEL-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821597840 606151913 /nfs/dbraw/zinc/15/19/13/606151913.db2.gz JHMDMUVRBUUPEL-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C12CCCCC2 ZINC000821362330 606151970 /nfs/dbraw/zinc/15/19/70/606151970.db2.gz ZVJTUEFXFWUHKR-DLBZAZTESA-N -1 3 384.484 3.425 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C12CCCCC2 ZINC000821362330 606151971 /nfs/dbraw/zinc/15/19/71/606151971.db2.gz ZVJTUEFXFWUHKR-DLBZAZTESA-N -1 3 384.484 3.425 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cccc3[nH]ccc32)c1C ZINC000822482046 606152084 /nfs/dbraw/zinc/15/20/84/606152084.db2.gz JDXGEKZNRRLJQO-UHFFFAOYSA-N -1 3 398.430 3.403 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000822217476 606152564 /nfs/dbraw/zinc/15/25/64/606152564.db2.gz FRTSXMZFBRMCFP-HKUYNNGSSA-N -1 3 392.463 3.295 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000822217476 606152566 /nfs/dbraw/zinc/15/25/66/606152566.db2.gz FRTSXMZFBRMCFP-HKUYNNGSSA-N -1 3 392.463 3.295 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820269284 606152753 /nfs/dbraw/zinc/15/27/53/606152753.db2.gz IUKALOIEZLPPBB-SNVBAGLBSA-N -1 3 391.357 3.206 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820269284 606152755 /nfs/dbraw/zinc/15/27/55/606152755.db2.gz IUKALOIEZLPPBB-SNVBAGLBSA-N -1 3 391.357 3.206 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1N[C@@H]1CCN(C(C)C)C1=O ZINC000822211889 606155303 /nfs/dbraw/zinc/15/53/03/606155303.db2.gz SAJZQCDPALDPIP-LJQANCHMSA-N -1 3 392.463 3.389 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1N[C@@H]1CCN(C(C)C)C1=O ZINC000822211889 606155304 /nfs/dbraw/zinc/15/53/04/606155304.db2.gz SAJZQCDPALDPIP-LJQANCHMSA-N -1 3 392.463 3.389 20 0 GGADHM CCO[C@@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000821351668 606157923 /nfs/dbraw/zinc/15/79/23/606157923.db2.gz UXOYROFISDUQME-KSSFIOAISA-N -1 3 386.500 3.212 20 0 GGADHM CCO[C@@H](CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000821351668 606157925 /nfs/dbraw/zinc/15/79/25/606157925.db2.gz UXOYROFISDUQME-KSSFIOAISA-N -1 3 386.500 3.212 20 0 GGADHM CC(C)n1cc2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000820215729 606160561 /nfs/dbraw/zinc/16/05/61/606160561.db2.gz ZBOIVQHAXAMTSW-UHFFFAOYSA-N -1 3 376.424 3.119 20 0 GGADHM CC(C)n1cc2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000820215729 606160562 /nfs/dbraw/zinc/16/05/62/606160562.db2.gz ZBOIVQHAXAMTSW-UHFFFAOYSA-N -1 3 376.424 3.119 20 0 GGADHM CC(C)n1cc2cc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000820214710 606160805 /nfs/dbraw/zinc/16/08/05/606160805.db2.gz NAUBZLWXVGWZMN-UHFFFAOYSA-N -1 3 390.451 3.461 20 0 GGADHM CC(C)n1cc2cc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000820214710 606160807 /nfs/dbraw/zinc/16/08/07/606160807.db2.gz NAUBZLWXVGWZMN-UHFFFAOYSA-N -1 3 390.451 3.461 20 0 GGADHM CC(C)(C)c1cnc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000819958556 606167559 /nfs/dbraw/zinc/16/75/59/606167559.db2.gz OKTVVAOBGBFYDA-UHFFFAOYSA-N -1 3 391.888 3.292 20 0 GGADHM CC(C)(C)c1cnc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000819958556 606167561 /nfs/dbraw/zinc/16/75/61/606167561.db2.gz OKTVVAOBGBFYDA-UHFFFAOYSA-N -1 3 391.888 3.292 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820456809 606173137 /nfs/dbraw/zinc/17/31/37/606173137.db2.gz WBXNQJOERUYTKT-AWEZNQCLSA-N -1 3 380.452 3.326 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820456809 606173139 /nfs/dbraw/zinc/17/31/39/606173139.db2.gz WBXNQJOERUYTKT-AWEZNQCLSA-N -1 3 380.452 3.326 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821357521 606175745 /nfs/dbraw/zinc/17/57/45/606175745.db2.gz DIQDHLKVEPVEFS-ZWKOTPCHSA-N -1 3 398.511 3.136 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821357521 606175748 /nfs/dbraw/zinc/17/57/48/606175748.db2.gz DIQDHLKVEPVEFS-ZWKOTPCHSA-N -1 3 398.511 3.136 20 0 GGADHM C[C@@H](C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)C1CCCC1 ZINC000819883799 606177040 /nfs/dbraw/zinc/17/70/40/606177040.db2.gz NROJTFXAUWXFCE-CYBMUJFWSA-N -1 3 381.436 3.163 20 0 GGADHM C[C@@H](C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)C1CCCC1 ZINC000819883799 606177041 /nfs/dbraw/zinc/17/70/41/606177041.db2.gz NROJTFXAUWXFCE-CYBMUJFWSA-N -1 3 381.436 3.163 20 0 GGADHM CCc1ccc(CN(C)C(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821480214 606179754 /nfs/dbraw/zinc/17/97/54/606179754.db2.gz ADASOZIUDSFKAH-UHFFFAOYSA-N -1 3 399.495 3.460 20 0 GGADHM CCc1ccc(CN(C)C(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821480214 606179755 /nfs/dbraw/zinc/17/97/55/606179755.db2.gz ADASOZIUDSFKAH-UHFFFAOYSA-N -1 3 399.495 3.460 20 0 GGADHM CO[C@@H](C)c1nc(CSCCOc2ccccc2-c2nnn[n-]2)cs1 ZINC000821675094 606179871 /nfs/dbraw/zinc/17/98/71/606179871.db2.gz CUAPWTSLTMIYOL-NSHDSACASA-N -1 3 377.495 3.343 20 0 GGADHM CO[C@@H](C)c1nc(CSCCOc2ccccc2-c2nn[n-]n2)cs1 ZINC000821675094 606179873 /nfs/dbraw/zinc/17/98/73/606179873.db2.gz CUAPWTSLTMIYOL-NSHDSACASA-N -1 3 377.495 3.343 20 0 GGADHM COc1cccc(CN(C)C(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821868664 606180334 /nfs/dbraw/zinc/18/03/34/606180334.db2.gz UIKPPKJLEKPSCG-CQSZACIVSA-N -1 3 397.504 3.328 20 0 GGADHM COc1cccc(CN(C)C(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821868664 606180335 /nfs/dbraw/zinc/18/03/35/606180335.db2.gz UIKPPKJLEKPSCG-CQSZACIVSA-N -1 3 397.504 3.328 20 0 GGADHM C[C@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCOC1 ZINC000820511869 606181832 /nfs/dbraw/zinc/18/18/32/606181832.db2.gz DOVOPTREXHQPPE-XJKSGUPXSA-N -1 3 379.420 3.192 20 0 GGADHM Clc1ncc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000822590124 606183450 /nfs/dbraw/zinc/18/34/50/606183450.db2.gz ISOYKEZWRSQWKD-UHFFFAOYSA-N -1 3 376.873 3.020 20 0 GGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820818760 606191122 /nfs/dbraw/zinc/19/11/22/606191122.db2.gz BDQVQJHQRBNANE-OLZOCXBDSA-N -1 3 381.461 3.161 20 0 GGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820818760 606191124 /nfs/dbraw/zinc/19/11/24/606191124.db2.gz BDQVQJHQRBNANE-OLZOCXBDSA-N -1 3 381.461 3.161 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000821117999 606192309 /nfs/dbraw/zinc/19/23/09/606192309.db2.gz DKSVYTQHXLUMIA-ZDUSSCGKSA-N -1 3 396.451 3.103 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc2ccccc21 ZINC000821122999 606192327 /nfs/dbraw/zinc/19/23/27/606192327.db2.gz GPTQHVSUVMKJSJ-UHFFFAOYSA-N -1 3 375.436 3.282 20 0 GGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822419189 606192948 /nfs/dbraw/zinc/19/29/48/606192948.db2.gz NGFCYXPYHBTYMA-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM Cc1ccc(CCCC(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822236409 606193252 /nfs/dbraw/zinc/19/32/52/606193252.db2.gz YFFQRYBCPCPFNU-CYBMUJFWSA-N -1 3 399.476 3.130 20 0 GGADHM Cc1ccc(CCCC(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822236409 606193253 /nfs/dbraw/zinc/19/32/53/606193253.db2.gz YFFQRYBCPCPFNU-CYBMUJFWSA-N -1 3 399.476 3.130 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820728126 606196822 /nfs/dbraw/zinc/19/68/22/606196822.db2.gz TXRCTXGEKSYSHX-SGTLLEGYSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820728126 606196823 /nfs/dbraw/zinc/19/68/23/606196823.db2.gz TXRCTXGEKSYSHX-SGTLLEGYSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820728116 606198337 /nfs/dbraw/zinc/19/83/37/606198337.db2.gz SWTUQQVGDKZVIL-BFUOFWGJSA-N -1 3 394.454 3.471 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820728116 606198340 /nfs/dbraw/zinc/19/83/40/606198340.db2.gz SWTUQQVGDKZVIL-BFUOFWGJSA-N -1 3 394.454 3.471 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820728789 606198504 /nfs/dbraw/zinc/19/85/04/606198504.db2.gz YBVJZABSGIWDDY-ADLMAVQZSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820728789 606198505 /nfs/dbraw/zinc/19/85/05/606198505.db2.gz YBVJZABSGIWDDY-ADLMAVQZSA-N -1 3 398.417 3.268 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822557776 606200909 /nfs/dbraw/zinc/20/09/09/606200909.db2.gz JWGFIXWAILZGCU-OAHLLOKOSA-N -1 3 382.493 3.321 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000822505547 606207782 /nfs/dbraw/zinc/20/77/82/606207782.db2.gz NQWWNGHVJCAWLN-LBPRGKRZSA-N -1 3 399.418 3.093 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000822505547 606207783 /nfs/dbraw/zinc/20/77/83/606207783.db2.gz NQWWNGHVJCAWLN-LBPRGKRZSA-N -1 3 399.418 3.093 20 0 GGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2F)C[C@@H](C)O1 ZINC000820776832 606213312 /nfs/dbraw/zinc/21/33/12/606213312.db2.gz NICYMEIOMOEXMM-VXGBXAGGSA-N -1 3 388.472 3.293 20 0 GGADHM C[C@@H]1CN(c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2F)C[C@@H](C)O1 ZINC000820776832 606213313 /nfs/dbraw/zinc/21/33/13/606213313.db2.gz NICYMEIOMOEXMM-VXGBXAGGSA-N -1 3 388.472 3.293 20 0 GGADHM CCc1cccc(S(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000821491924 606234577 /nfs/dbraw/zinc/23/45/77/606234577.db2.gz CUZZNFKDAJMSDT-UHFFFAOYSA-N -1 3 385.493 3.028 20 0 GGADHM CCc1cccc(S(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000821491924 606234579 /nfs/dbraw/zinc/23/45/79/606234579.db2.gz CUZZNFKDAJMSDT-UHFFFAOYSA-N -1 3 385.493 3.028 20 0 GGADHM CCc1cccc(S(=O)(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821492510 606234594 /nfs/dbraw/zinc/23/45/94/606234594.db2.gz OXJJNBMLJFSXLR-CQSZACIVSA-N -1 3 385.493 3.201 20 0 GGADHM CCc1cccc(S(=O)(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821492510 606234595 /nfs/dbraw/zinc/23/45/95/606234595.db2.gz OXJJNBMLJFSXLR-CQSZACIVSA-N -1 3 385.493 3.201 20 0 GGADHM CN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821573232 606235671 /nfs/dbraw/zinc/23/56/71/606235671.db2.gz GYINRRUKCUVTSW-UHFFFAOYSA-N -1 3 387.403 3.071 20 0 GGADHM CN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821573232 606235673 /nfs/dbraw/zinc/23/56/73/606235673.db2.gz GYINRRUKCUVTSW-UHFFFAOYSA-N -1 3 387.403 3.071 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822424608 606235985 /nfs/dbraw/zinc/23/59/85/606235985.db2.gz XONDLOPIIDEFGI-NSHDSACASA-N -1 3 393.476 3.128 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822424608 606235986 /nfs/dbraw/zinc/23/59/86/606235986.db2.gz XONDLOPIIDEFGI-NSHDSACASA-N -1 3 393.476 3.128 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822424607 606236118 /nfs/dbraw/zinc/23/61/18/606236118.db2.gz XONDLOPIIDEFGI-LLVKDONJSA-N -1 3 393.476 3.128 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822424607 606236120 /nfs/dbraw/zinc/23/61/20/606236120.db2.gz XONDLOPIIDEFGI-LLVKDONJSA-N -1 3 393.476 3.128 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(C(F)(F)F)c1 ZINC000820025723 606241494 /nfs/dbraw/zinc/24/14/94/606241494.db2.gz CVYYRLXSRKJOBC-OAHLLOKOSA-N -1 3 392.385 3.351 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(C(F)(F)F)c1 ZINC000820025723 606241496 /nfs/dbraw/zinc/24/14/96/606241496.db2.gz CVYYRLXSRKJOBC-OAHLLOKOSA-N -1 3 392.385 3.351 20 0 GGADHM O=C1[C@H](Nc2cc(Cl)ccc2Cl)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823514223 606242531 /nfs/dbraw/zinc/24/25/31/606242531.db2.gz XSVPTSNSDIRCQX-CQSZACIVSA-N -1 3 389.246 3.391 20 0 GGADHM O=C1[C@H](Nc2cc(Cl)ccc2Cl)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823514223 606242533 /nfs/dbraw/zinc/24/25/33/606242533.db2.gz XSVPTSNSDIRCQX-CQSZACIVSA-N -1 3 389.246 3.391 20 0 GGADHM O=C1c2ccccc2N[C@H](c2cc(-c3nnn[n-]3)cs2)N1Cc1ccco1 ZINC000823551321 606244303 /nfs/dbraw/zinc/24/43/03/606244303.db2.gz MUEXTQXWEOFNCZ-KRWDZBQOSA-N -1 3 378.417 3.288 20 0 GGADHM O=C1c2ccccc2N[C@H](c2cc(-c3nn[n-]n3)cs2)N1Cc1ccco1 ZINC000823551321 606244305 /nfs/dbraw/zinc/24/43/05/606244305.db2.gz MUEXTQXWEOFNCZ-KRWDZBQOSA-N -1 3 378.417 3.288 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000823350252 606246332 /nfs/dbraw/zinc/24/63/32/606246332.db2.gz GFMPUXNZFSKYSA-OALUTQOASA-N -1 3 375.432 3.430 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000823350252 606246333 /nfs/dbraw/zinc/24/63/33/606246333.db2.gz GFMPUXNZFSKYSA-OALUTQOASA-N -1 3 375.432 3.430 20 0 GGADHM CC(C)Oc1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000820174787 606248068 /nfs/dbraw/zinc/24/80/68/606248068.db2.gz XUOUWPMNZOPPLS-GOSISDBHSA-N -1 3 396.426 3.010 20 0 GGADHM CC(C)Oc1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000820174787 606248069 /nfs/dbraw/zinc/24/80/69/606248069.db2.gz XUOUWPMNZOPPLS-GOSISDBHSA-N -1 3 396.426 3.010 20 0 GGADHM CSc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2)cc1 ZINC000821978233 606249878 /nfs/dbraw/zinc/24/98/78/606249878.db2.gz KOHJTJPGLYNPSZ-UHFFFAOYSA-N -1 3 383.462 3.293 20 0 GGADHM CSc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2)cc1 ZINC000821978233 606249879 /nfs/dbraw/zinc/24/98/79/606249879.db2.gz KOHJTJPGLYNPSZ-UHFFFAOYSA-N -1 3 383.462 3.293 20 0 GGADHM Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)s2)cc1Cl ZINC000822240109 606252930 /nfs/dbraw/zinc/25/29/30/606252930.db2.gz SHVLQBYGUQRYJK-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)s2)cc1Cl ZINC000822240109 606252931 /nfs/dbraw/zinc/25/29/31/606252931.db2.gz SHVLQBYGUQRYJK-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000822655171 606253575 /nfs/dbraw/zinc/25/35/75/606253575.db2.gz DSALYUGJVWJQFF-CYBMUJFWSA-N -1 3 399.760 3.189 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000822655171 606253576 /nfs/dbraw/zinc/25/35/76/606253576.db2.gz DSALYUGJVWJQFF-CYBMUJFWSA-N -1 3 399.760 3.189 20 0 GGADHM Cn1cc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000822685199 606255906 /nfs/dbraw/zinc/25/59/06/606255906.db2.gz UWDIFLOYDNFLNJ-UHFFFAOYSA-N -1 3 377.433 3.004 20 0 GGADHM Cn1cc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000822685199 606255908 /nfs/dbraw/zinc/25/59/08/606255908.db2.gz UWDIFLOYDNFLNJ-UHFFFAOYSA-N -1 3 377.433 3.004 20 0 GGADHM O=C(CC[C@@H]1CCOC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822949964 606257194 /nfs/dbraw/zinc/25/71/94/606257194.db2.gz AGIBXOLGOCFJLZ-CYBMUJFWSA-N -1 3 383.477 3.028 20 0 GGADHM COc1cc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1OC1CCCC1 ZINC000821708083 606258574 /nfs/dbraw/zinc/25/85/74/606258574.db2.gz KAJLPSZLPKQXKC-LBPRGKRZSA-N -1 3 396.451 3.016 20 0 GGADHM COc1cc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1OC1CCCC1 ZINC000821708083 606258576 /nfs/dbraw/zinc/25/85/76/606258576.db2.gz KAJLPSZLPKQXKC-LBPRGKRZSA-N -1 3 396.451 3.016 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 ZINC000822628350 606258924 /nfs/dbraw/zinc/25/89/24/606258924.db2.gz XPOFRTBCCQGVRM-ZDUSSCGKSA-N -1 3 399.524 3.327 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 ZINC000822628350 606258926 /nfs/dbraw/zinc/25/89/26/606258926.db2.gz XPOFRTBCCQGVRM-ZDUSSCGKSA-N -1 3 399.524 3.327 20 0 GGADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822035802 606260171 /nfs/dbraw/zinc/26/01/71/606260171.db2.gz ZGNFGNMUBGDWDM-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822035802 606260172 /nfs/dbraw/zinc/26/01/72/606260172.db2.gz ZGNFGNMUBGDWDM-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823118599 606267241 /nfs/dbraw/zinc/26/72/41/606267241.db2.gz HRZSNRGBEDBWMH-UHFFFAOYSA-N -1 3 398.785 3.495 20 0 GGADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823118599 606267243 /nfs/dbraw/zinc/26/72/43/606267243.db2.gz HRZSNRGBEDBWMH-UHFFFAOYSA-N -1 3 398.785 3.495 20 0 GGADHM O=C(NCC1CCOCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823182914 606267738 /nfs/dbraw/zinc/26/77/38/606267738.db2.gz QGCIGTMFDGQMEE-UHFFFAOYSA-N -1 3 395.488 3.174 20 0 GGADHM O=C(NCC1CCOCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823182914 606267739 /nfs/dbraw/zinc/26/77/39/606267739.db2.gz QGCIGTMFDGQMEE-UHFFFAOYSA-N -1 3 395.488 3.174 20 0 GGADHM Cn1nccc1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822709695 606269694 /nfs/dbraw/zinc/26/96/94/606269694.db2.gz QQXHMDSGDIIABJ-UHFFFAOYSA-N -1 3 377.433 3.004 20 0 GGADHM Cn1nccc1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822709695 606269697 /nfs/dbraw/zinc/26/96/97/606269697.db2.gz QQXHMDSGDIIABJ-UHFFFAOYSA-N -1 3 377.433 3.004 20 0 GGADHM COc1ccc(CCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1Cl ZINC000821790690 606269844 /nfs/dbraw/zinc/26/98/44/606269844.db2.gz RBNMKLTUBRTSGQ-UHFFFAOYSA-N -1 3 375.791 3.239 20 0 GGADHM COc1ccc(CCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000821790690 606269846 /nfs/dbraw/zinc/26/98/46/606269846.db2.gz RBNMKLTUBRTSGQ-UHFFFAOYSA-N -1 3 375.791 3.239 20 0 GGADHM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822211885 606270040 /nfs/dbraw/zinc/27/00/40/606270040.db2.gz RZODYLZUGGDQRQ-UHFFFAOYSA-N -1 3 392.394 3.474 20 0 GGADHM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822211885 606270042 /nfs/dbraw/zinc/27/00/42/606270042.db2.gz RZODYLZUGGDQRQ-UHFFFAOYSA-N -1 3 392.394 3.474 20 0 GGADHM COC[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000821685056 606278948 /nfs/dbraw/zinc/27/89/48/606278948.db2.gz SHEFKJSDMHGXGS-CQSZACIVSA-N -1 3 395.488 3.126 20 0 GGADHM COC[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000821685056 606278949 /nfs/dbraw/zinc/27/89/49/606278949.db2.gz SHEFKJSDMHGXGS-CQSZACIVSA-N -1 3 395.488 3.126 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000822626743 606281881 /nfs/dbraw/zinc/28/18/81/606281881.db2.gz FMFJCBFCIZLCLJ-KRWDZBQOSA-N -1 3 378.480 3.480 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000822626743 606281882 /nfs/dbraw/zinc/28/18/82/606281882.db2.gz FMFJCBFCIZLCLJ-KRWDZBQOSA-N -1 3 378.480 3.480 20 0 GGADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821877691 606283507 /nfs/dbraw/zinc/28/35/07/606283507.db2.gz QGUPQWDKHHPDKJ-ZDUSSCGKSA-N -1 3 388.431 3.361 20 0 GGADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821877691 606283509 /nfs/dbraw/zinc/28/35/09/606283509.db2.gz QGUPQWDKHHPDKJ-ZDUSSCGKSA-N -1 3 388.431 3.361 20 0 GGADHM C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCOC1 ZINC000820398009 606283584 /nfs/dbraw/zinc/28/35/84/606283584.db2.gz YYLBZKXWELSZRO-ZFWWWQNUSA-N -1 3 395.488 3.173 20 0 GGADHM C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820398009 606283586 /nfs/dbraw/zinc/28/35/86/606283586.db2.gz YYLBZKXWELSZRO-ZFWWWQNUSA-N -1 3 395.488 3.173 20 0 GGADHM Cc1noc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)c1C ZINC000822531264 606286142 /nfs/dbraw/zinc/28/61/42/606286142.db2.gz XYGWTEGGIUCDHC-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM Cc1noc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)c1C ZINC000822531264 606286144 /nfs/dbraw/zinc/28/61/44/606286144.db2.gz XYGWTEGGIUCDHC-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC000819965419 606286554 /nfs/dbraw/zinc/28/65/54/606286554.db2.gz GBJOVGVNDCRAKA-ZDUSSCGKSA-N -1 3 385.497 3.316 20 0 GGADHM CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC000819965419 606286557 /nfs/dbraw/zinc/28/65/57/606286557.db2.gz GBJOVGVNDCRAKA-ZDUSSCGKSA-N -1 3 385.497 3.316 20 0 GGADHM O=C(NCCOC1CCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823206206 606287799 /nfs/dbraw/zinc/28/77/99/606287799.db2.gz OGMPIKALXRVANB-UHFFFAOYSA-N -1 3 395.488 3.317 20 0 GGADHM O=C(NCCOC1CCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823206206 606287801 /nfs/dbraw/zinc/28/78/01/606287801.db2.gz OGMPIKALXRVANB-UHFFFAOYSA-N -1 3 395.488 3.317 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(OC(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641051 606299177 /nfs/dbraw/zinc/29/91/77/606299177.db2.gz VJLUQMADICLUEX-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1cccc(OC(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641051 606299179 /nfs/dbraw/zinc/29/91/79/606299179.db2.gz VJLUQMADICLUEX-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644499 606300158 /nfs/dbraw/zinc/30/01/58/606300158.db2.gz BCOZUHGXIQPUKZ-QGZVFWFLSA-N -1 3 390.403 3.212 20 0 GGADHM COC(=O)[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644499 606300160 /nfs/dbraw/zinc/30/01/60/606300160.db2.gz BCOZUHGXIQPUKZ-QGZVFWFLSA-N -1 3 390.403 3.212 20 0 GGADHM CC(C)OCc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820146583 606302689 /nfs/dbraw/zinc/30/26/89/606302689.db2.gz OKUKIYIQEYOSHX-INIZCTEOSA-N -1 3 398.492 3.071 20 0 GGADHM CC(C)OCc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000820146583 606302690 /nfs/dbraw/zinc/30/26/90/606302690.db2.gz OKUKIYIQEYOSHX-INIZCTEOSA-N -1 3 398.492 3.071 20 0 GGADHM COC(=O)[C@H](NCc1ccc(OC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645136 606303935 /nfs/dbraw/zinc/30/39/35/606303935.db2.gz RZDZYMUCKMFDED-GOSISDBHSA-N -1 3 395.463 3.048 20 0 GGADHM COC(=O)[C@H](NCc1ccc(OC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645136 606303937 /nfs/dbraw/zinc/30/39/37/606303937.db2.gz RZDZYMUCKMFDED-GOSISDBHSA-N -1 3 395.463 3.048 20 0 GGADHM COC(=O)[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642718 606307965 /nfs/dbraw/zinc/30/79/65/606307965.db2.gz OIDMKZWEGDJHDM-OALUTQOASA-N -1 3 377.448 3.212 20 0 GGADHM COC(=O)[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642718 606307967 /nfs/dbraw/zinc/30/79/67/606307967.db2.gz OIDMKZWEGDJHDM-OALUTQOASA-N -1 3 377.448 3.212 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1noc(Cc2ccccc2)n1 ZINC000820155754 606309096 /nfs/dbraw/zinc/30/90/96/606309096.db2.gz WJYJQJHEFXQRDN-UHFFFAOYSA-N -1 3 391.435 3.240 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1noc(Cc2ccccc2)n1 ZINC000820155754 606309097 /nfs/dbraw/zinc/30/90/97/606309097.db2.gz WJYJQJHEFXQRDN-UHFFFAOYSA-N -1 3 391.435 3.240 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)/C=C/SC)cc1 ZINC000821702076 606310722 /nfs/dbraw/zinc/31/07/22/606310722.db2.gz GTIMTMCBHAXBTR-MDZDMXLPSA-N -1 3 383.433 3.483 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)/C=C/SC)cc1 ZINC000821702076 606310723 /nfs/dbraw/zinc/31/07/23/606310723.db2.gz GTIMTMCBHAXBTR-MDZDMXLPSA-N -1 3 383.433 3.483 20 0 GGADHM CS/C=C\C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821955998 606310842 /nfs/dbraw/zinc/31/08/42/606310842.db2.gz DVKTXWABIVFDOF-KTKRTIGZSA-N -1 3 383.452 3.411 20 0 GGADHM CS/C=C\C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000821955998 606310844 /nfs/dbraw/zinc/31/08/44/606310844.db2.gz DVKTXWABIVFDOF-KTKRTIGZSA-N -1 3 383.452 3.411 20 0 GGADHM O=C1[C@@H](Sc2ccc(F)cc2F)CCN1c1sccc1-c1nnn[n-]1 ZINC000823510880 606311092 /nfs/dbraw/zinc/31/10/92/606311092.db2.gz BOYWMMPEBAPTDI-LBPRGKRZSA-N -1 3 379.417 3.104 20 0 GGADHM O=C1[C@@H](Sc2ccc(F)cc2F)CCN1c1sccc1-c1nn[n-]n1 ZINC000823510880 606311094 /nfs/dbraw/zinc/31/10/94/606311094.db2.gz BOYWMMPEBAPTDI-LBPRGKRZSA-N -1 3 379.417 3.104 20 0 GGADHM CC(=O)[C@@H](C)S[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819781972 606312063 /nfs/dbraw/zinc/31/20/63/606312063.db2.gz GDQPXTNMYKRSKR-GHMZBOCLSA-N -1 3 393.538 3.235 20 0 GGADHM CC(=O)[C@@H](C)S[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000819781972 606312065 /nfs/dbraw/zinc/31/20/65/606312065.db2.gz GDQPXTNMYKRSKR-GHMZBOCLSA-N -1 3 393.538 3.235 20 0 GGADHM CN(C)c1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)ccn1 ZINC000821588243 606312695 /nfs/dbraw/zinc/31/26/95/606312695.db2.gz IOSIXNLLKVUUBT-UHFFFAOYSA-N -1 3 385.431 3.247 20 0 GGADHM CN(C)c1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)ccn1 ZINC000821588243 606312696 /nfs/dbraw/zinc/31/26/96/606312696.db2.gz IOSIXNLLKVUUBT-UHFFFAOYSA-N -1 3 385.431 3.247 20 0 GGADHM O=C1[C@@H](Sc2ccnc3ccccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512637 606312953 /nfs/dbraw/zinc/31/29/53/606312953.db2.gz QBDGUFVJYFTRAQ-HNNXBMFYSA-N -1 3 394.485 3.374 20 0 GGADHM O=C1[C@@H](Sc2ccnc3ccccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512637 606312954 /nfs/dbraw/zinc/31/29/54/606312954.db2.gz QBDGUFVJYFTRAQ-HNNXBMFYSA-N -1 3 394.485 3.374 20 0 GGADHM COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821899429 606313552 /nfs/dbraw/zinc/31/35/52/606313552.db2.gz YSCDCWIHEZZPPN-UHFFFAOYSA-N -1 3 394.460 3.108 20 0 GGADHM COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821899429 606313554 /nfs/dbraw/zinc/31/35/54/606313554.db2.gz YSCDCWIHEZZPPN-UHFFFAOYSA-N -1 3 394.460 3.108 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)n1 ZINC000822414746 606315722 /nfs/dbraw/zinc/31/57/22/606315722.db2.gz SGIXUGUGIFTODU-UHFFFAOYSA-N -1 3 383.462 3.363 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)n1 ZINC000822414746 606315724 /nfs/dbraw/zinc/31/57/24/606315724.db2.gz SGIXUGUGIFTODU-UHFFFAOYSA-N -1 3 383.462 3.363 20 0 GGADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820120342 606318021 /nfs/dbraw/zinc/31/80/21/606318021.db2.gz COXBBWMNUJIZFW-UHFFFAOYSA-N -1 3 378.358 3.264 20 0 GGADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820120342 606318022 /nfs/dbraw/zinc/31/80/22/606318022.db2.gz COXBBWMNUJIZFW-UHFFFAOYSA-N -1 3 378.358 3.264 20 0 GGADHM CCC(CC)N(CC(C)C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820897981 606325242 /nfs/dbraw/zinc/32/52/42/606325242.db2.gz RHSZJECQRRIGEB-UHFFFAOYSA-N -1 3 392.891 3.132 20 0 GGADHM CCC(CC)N(CC(C)C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820897981 606325244 /nfs/dbraw/zinc/32/52/44/606325244.db2.gz RHSZJECQRRIGEB-UHFFFAOYSA-N -1 3 392.891 3.132 20 0 GGADHM COCCCn1c(C)cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c1C ZINC000821688519 606325402 /nfs/dbraw/zinc/32/54/02/606325402.db2.gz OAGHCOLZNWITRR-UHFFFAOYSA-N -1 3 385.493 3.297 20 0 GGADHM COCCCn1c(C)cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c1C ZINC000821688519 606325404 /nfs/dbraw/zinc/32/54/04/606325404.db2.gz OAGHCOLZNWITRR-UHFFFAOYSA-N -1 3 385.493 3.297 20 0 GGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1Br ZINC000823070576 606326464 /nfs/dbraw/zinc/32/64/64/606326464.db2.gz FVNLBDCXOFPHLY-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1Br ZINC000823070576 606326465 /nfs/dbraw/zinc/32/64/65/606326465.db2.gz FVNLBDCXOFPHLY-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000823070831 606328066 /nfs/dbraw/zinc/32/80/66/606328066.db2.gz QFYSMKUZEAQJRB-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000823070831 606328069 /nfs/dbraw/zinc/32/80/69/606328069.db2.gz QFYSMKUZEAQJRB-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821607164 606328396 /nfs/dbraw/zinc/32/83/96/606328396.db2.gz BSKIKMDFZYCKNP-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821607164 606328398 /nfs/dbraw/zinc/32/83/98/606328398.db2.gz BSKIKMDFZYCKNP-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379539 606329071 /nfs/dbraw/zinc/32/90/71/606329071.db2.gz CSHPAMNAOOKDKV-LLVKDONJSA-N -1 3 388.378 3.393 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379539 606329073 /nfs/dbraw/zinc/32/90/73/606329073.db2.gz CSHPAMNAOOKDKV-LLVKDONJSA-N -1 3 388.378 3.393 20 0 GGADHM COc1ccc(CN(C(=O)CSc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821794876 606329348 /nfs/dbraw/zinc/32/93/48/606329348.db2.gz OWIGUAGMECSCDM-UHFFFAOYSA-N -1 3 395.488 3.159 20 0 GGADHM COc1ccc(CN(C(=O)CSc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821794876 606329349 /nfs/dbraw/zinc/32/93/49/606329349.db2.gz OWIGUAGMECSCDM-UHFFFAOYSA-N -1 3 395.488 3.159 20 0 GGADHM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821169992 606330747 /nfs/dbraw/zinc/33/07/47/606330747.db2.gz KTWBLJLWSOMZDJ-DNVCBOLYSA-N -1 3 394.479 3.001 20 0 GGADHM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821169992 606330748 /nfs/dbraw/zinc/33/07/48/606330748.db2.gz KTWBLJLWSOMZDJ-DNVCBOLYSA-N -1 3 394.479 3.001 20 0 GGADHM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821169991 606330845 /nfs/dbraw/zinc/33/08/45/606330845.db2.gz KTWBLJLWSOMZDJ-BEFAXECRSA-N -1 3 394.479 3.001 20 0 GGADHM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821169991 606330847 /nfs/dbraw/zinc/33/08/47/606330847.db2.gz KTWBLJLWSOMZDJ-BEFAXECRSA-N -1 3 394.479 3.001 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000820151053 606335541 /nfs/dbraw/zinc/33/55/41/606335541.db2.gz BMFWJUGRFYXMRG-UHFFFAOYSA-N -1 3 395.316 3.463 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1coc2cc(F)ccc12 ZINC000821389088 606335649 /nfs/dbraw/zinc/33/56/49/606335649.db2.gz FVFKPBCRXBBTCX-UHFFFAOYSA-N -1 3 382.351 3.299 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1coc2cc(F)ccc12 ZINC000821389088 606335651 /nfs/dbraw/zinc/33/56/51/606335651.db2.gz FVFKPBCRXBBTCX-UHFFFAOYSA-N -1 3 382.351 3.299 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)ncn1 ZINC000822209594 606337326 /nfs/dbraw/zinc/33/73/26/606337326.db2.gz PFMFYDLXSUEWJN-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)ncn1 ZINC000822209594 606337327 /nfs/dbraw/zinc/33/73/27/606337327.db2.gz PFMFYDLXSUEWJN-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822459530 606340058 /nfs/dbraw/zinc/34/00/58/606340058.db2.gz RAROZTFBVGLPCH-CYBMUJFWSA-N -1 3 391.435 3.419 20 0 GGADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822459530 606340060 /nfs/dbraw/zinc/34/00/60/606340060.db2.gz RAROZTFBVGLPCH-CYBMUJFWSA-N -1 3 391.435 3.419 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513231 606344423 /nfs/dbraw/zinc/34/44/23/606344423.db2.gz XYLOKRASXWSYLE-ZJNRKIDTSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513231 606344425 /nfs/dbraw/zinc/34/44/25/606344425.db2.gz XYLOKRASXWSYLE-ZJNRKIDTSA-N -1 3 391.431 3.379 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821763280 606344611 /nfs/dbraw/zinc/34/46/11/606344611.db2.gz XJTWHGNOTGSAFN-CZUORRHYSA-N -1 3 378.436 3.285 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821763280 606344612 /nfs/dbraw/zinc/34/46/12/606344612.db2.gz XJTWHGNOTGSAFN-CZUORRHYSA-N -1 3 378.436 3.285 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000823344028 606346644 /nfs/dbraw/zinc/34/66/44/606346644.db2.gz OGKLUQLXGVWZPA-HNNXBMFYSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000823344028 606346647 /nfs/dbraw/zinc/34/66/47/606346647.db2.gz OGKLUQLXGVWZPA-HNNXBMFYSA-N -1 3 384.390 3.384 20 0 GGADHM C[C@H](OC(=O)c1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512644 606347704 /nfs/dbraw/zinc/34/77/04/606347704.db2.gz MKTVYELXHOOTKK-JTQLQIEISA-N -1 3 393.325 3.121 20 0 GGADHM C[C@H](OC(=O)c1cccnc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512644 606347706 /nfs/dbraw/zinc/34/77/06/606347706.db2.gz MKTVYELXHOOTKK-JTQLQIEISA-N -1 3 393.325 3.121 20 0 GGADHM C[C@H](OC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494388 606347854 /nfs/dbraw/zinc/34/78/54/606347854.db2.gz ACYRPRATEXSLJC-ZDUSSCGKSA-N -1 3 375.388 3.369 20 0 GGADHM C[C@H](OC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494388 606347856 /nfs/dbraw/zinc/34/78/56/606347856.db2.gz ACYRPRATEXSLJC-ZDUSSCGKSA-N -1 3 375.388 3.369 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000823344069 606348123 /nfs/dbraw/zinc/34/81/23/606348123.db2.gz PRBZVYVQCYASNW-HNNXBMFYSA-N -1 3 396.382 3.104 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000823344069 606348125 /nfs/dbraw/zinc/34/81/25/606348125.db2.gz PRBZVYVQCYASNW-HNNXBMFYSA-N -1 3 396.382 3.104 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000823344172 606348247 /nfs/dbraw/zinc/34/82/47/606348247.db2.gz SSDJKVUMGGBLPN-OAHLLOKOSA-N -1 3 396.426 3.076 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000823344172 606348249 /nfs/dbraw/zinc/34/82/49/606348249.db2.gz SSDJKVUMGGBLPN-OAHLLOKOSA-N -1 3 396.426 3.076 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000823344136 606348579 /nfs/dbraw/zinc/34/85/79/606348579.db2.gz RKNAUDRLIVZCDM-ZDUSSCGKSA-N -1 3 384.390 3.241 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000823344136 606348581 /nfs/dbraw/zinc/34/85/81/606348581.db2.gz RKNAUDRLIVZCDM-ZDUSSCGKSA-N -1 3 384.390 3.241 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H](c1nccs1)c1ccccc1 ZINC000823343807 606349949 /nfs/dbraw/zinc/34/99/49/606349949.db2.gz HWXNZQXRIUXVDB-OAHLLOKOSA-N -1 3 395.423 3.373 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H](c1nccs1)c1ccccc1 ZINC000823343807 606349951 /nfs/dbraw/zinc/34/99/51/606349951.db2.gz HWXNZQXRIUXVDB-OAHLLOKOSA-N -1 3 395.423 3.373 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822010213 606352890 /nfs/dbraw/zinc/35/28/90/606352890.db2.gz SQIDHOQXVCPSGU-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822010213 606352892 /nfs/dbraw/zinc/35/28/92/606352892.db2.gz SQIDHOQXVCPSGU-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823176742 606353039 /nfs/dbraw/zinc/35/30/39/606353039.db2.gz YAOPYUQMCXYJNQ-KDOFPFPSSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823176742 606353041 /nfs/dbraw/zinc/35/30/41/606353041.db2.gz YAOPYUQMCXYJNQ-KDOFPFPSSA-N -1 3 396.426 3.295 20 0 GGADHM CCC(=O)c1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820843415 606355336 /nfs/dbraw/zinc/35/53/36/606355336.db2.gz YMHYIJCXAXUATA-CYBMUJFWSA-N -1 3 380.404 3.143 20 0 GGADHM CCC(=O)c1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820843415 606355338 /nfs/dbraw/zinc/35/53/38/606355338.db2.gz YMHYIJCXAXUATA-CYBMUJFWSA-N -1 3 380.404 3.143 20 0 GGADHM C[C@H](OC(=O)Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502129 606356671 /nfs/dbraw/zinc/35/66/71/606356671.db2.gz NMOWHOBFFBCEMM-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM C[C@H](OC(=O)Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502129 606356672 /nfs/dbraw/zinc/35/66/72/606356672.db2.gz NMOWHOBFFBCEMM-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM CCc1ncncc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821518457 606359855 /nfs/dbraw/zinc/35/98/55/606359855.db2.gz VDPWBSODNKWQLN-UHFFFAOYSA-N -1 3 388.387 3.231 20 0 GGADHM CCc1ncncc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821518457 606359856 /nfs/dbraw/zinc/35/98/56/606359856.db2.gz VDPWBSODNKWQLN-UHFFFAOYSA-N -1 3 388.387 3.231 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820937867 606362321 /nfs/dbraw/zinc/36/23/21/606362321.db2.gz FDCGFMSFJVEKOH-AWEZNQCLSA-N -1 3 375.791 3.455 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820937867 606362322 /nfs/dbraw/zinc/36/23/22/606362322.db2.gz FDCGFMSFJVEKOH-AWEZNQCLSA-N -1 3 375.791 3.455 20 0 GGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820641945 606362400 /nfs/dbraw/zinc/36/24/00/606362400.db2.gz FVZNUULMQVBOJE-GUYCJALGSA-N -1 3 380.427 3.093 20 0 GGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820641945 606362402 /nfs/dbraw/zinc/36/24/02/606362402.db2.gz FVZNUULMQVBOJE-GUYCJALGSA-N -1 3 380.427 3.093 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820641940 606362586 /nfs/dbraw/zinc/36/25/86/606362586.db2.gz FVZNUULMQVBOJE-CXAGYDPISA-N -1 3 380.427 3.093 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820641940 606362588 /nfs/dbraw/zinc/36/25/88/606362588.db2.gz FVZNUULMQVBOJE-CXAGYDPISA-N -1 3 380.427 3.093 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(F)cc1F ZINC000822176127 606363694 /nfs/dbraw/zinc/36/36/94/606363694.db2.gz GJEAXAKWRAWEIZ-UHFFFAOYSA-N -1 3 381.289 3.307 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(F)cc1F ZINC000822176127 606363695 /nfs/dbraw/zinc/36/36/95/606363695.db2.gz GJEAXAKWRAWEIZ-UHFFFAOYSA-N -1 3 381.289 3.307 20 0 GGADHM O=C(Nc1ccn(CC(F)F)n1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823372867 606367064 /nfs/dbraw/zinc/36/70/64/606367064.db2.gz MGETWQINFWHZSA-UHFFFAOYSA-N -1 3 395.373 3.248 20 0 GGADHM O=C(Nc1ccn(CC(F)F)n1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823372867 606367066 /nfs/dbraw/zinc/36/70/66/606367066.db2.gz MGETWQINFWHZSA-UHFFFAOYSA-N -1 3 395.373 3.248 20 0 GGADHM O=C(CCc1ccc(Br)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822978756 606373396 /nfs/dbraw/zinc/37/33/96/606373396.db2.gz PPCQUFVWTDKBAY-UHFFFAOYSA-N -1 3 378.255 3.262 20 0 GGADHM O=C(CCc1ccc(Br)cc1)Nc1sccc1-c1nn[n-]n1 ZINC000822978756 606373397 /nfs/dbraw/zinc/37/33/97/606373397.db2.gz PPCQUFVWTDKBAY-UHFFFAOYSA-N -1 3 378.255 3.262 20 0 GGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820939071 606373975 /nfs/dbraw/zinc/37/39/75/606373975.db2.gz PUHPDTPWDLRWJM-NUTKFTJISA-N -1 3 376.432 3.423 20 0 GGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820939071 606373976 /nfs/dbraw/zinc/37/39/76/606373976.db2.gz PUHPDTPWDLRWJM-NUTKFTJISA-N -1 3 376.432 3.423 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)Oc1ccccc1F ZINC000820909033 606382374 /nfs/dbraw/zinc/38/23/74/606382374.db2.gz SLOOIRASHPUJCO-GFCCVEGCSA-N -1 3 388.378 3.124 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)Oc1ccccc1F ZINC000820909033 606382376 /nfs/dbraw/zinc/38/23/76/606382376.db2.gz SLOOIRASHPUJCO-GFCCVEGCSA-N -1 3 388.378 3.124 20 0 GGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821454191 606382964 /nfs/dbraw/zinc/38/29/64/606382964.db2.gz DWBNPLORMXIVGA-STQMWFEESA-N -1 3 376.486 3.061 20 0 GGADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821454191 606382965 /nfs/dbraw/zinc/38/29/65/606382965.db2.gz DWBNPLORMXIVGA-STQMWFEESA-N -1 3 376.486 3.061 20 0 GGADHM CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)c2cc(Br)ccc21 ZINC000821619113 606388446 /nfs/dbraw/zinc/38/84/46/606388446.db2.gz KDBTYCAHCSHALL-XFFZJAGNSA-N -1 3 388.250 3.208 20 0 GGADHM Cc1nccc(N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)n1 ZINC000822471755 606399803 /nfs/dbraw/zinc/39/98/03/606399803.db2.gz JDCFBCOBRWFROF-UHFFFAOYSA-N -1 3 375.411 3.311 20 0 GGADHM Cc1nccc(N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)n1 ZINC000822471755 606399804 /nfs/dbraw/zinc/39/98/04/606399804.db2.gz JDCFBCOBRWFROF-UHFFFAOYSA-N -1 3 375.411 3.311 20 0 GGADHM CC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000820987887 606403959 /nfs/dbraw/zinc/40/39/59/606403959.db2.gz BSVNQNALVHIJPV-MRXNPFEDSA-N -1 3 383.477 3.095 20 0 GGADHM CC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000820987887 606403961 /nfs/dbraw/zinc/40/39/61/606403961.db2.gz BSVNQNALVHIJPV-MRXNPFEDSA-N -1 3 383.477 3.095 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000822655489 606407962 /nfs/dbraw/zinc/40/79/62/606407962.db2.gz LHKFNIZEJIEVCD-UHFFFAOYSA-N -1 3 395.369 3.430 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000822655489 606407963 /nfs/dbraw/zinc/40/79/63/606407963.db2.gz LHKFNIZEJIEVCD-UHFFFAOYSA-N -1 3 395.369 3.430 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](C)c1nc2ccccc2s1 ZINC000820508515 606410806 /nfs/dbraw/zinc/41/08/06/606410806.db2.gz QPJJFTJMABSFBI-WDEREUQCSA-N -1 3 382.449 3.164 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](C)c1nc2ccccc2s1 ZINC000820508515 606410808 /nfs/dbraw/zinc/41/08/08/606410808.db2.gz QPJJFTJMABSFBI-WDEREUQCSA-N -1 3 382.449 3.164 20 0 GGADHM CCCCO[C@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821073096 606414083 /nfs/dbraw/zinc/41/40/83/606414083.db2.gz YAFHZQIDQIWUJO-HOTGVXAUSA-N -1 3 388.541 3.479 20 0 GGADHM CCCCO[C@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821073096 606414087 /nfs/dbraw/zinc/41/40/87/606414087.db2.gz YAFHZQIDQIWUJO-HOTGVXAUSA-N -1 3 388.541 3.479 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1(CC)CC ZINC000821360870 606416075 /nfs/dbraw/zinc/41/60/75/606416075.db2.gz STMXDCWADUXGKC-HOTGVXAUSA-N -1 3 388.541 3.479 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1(CC)CC ZINC000821360870 606416077 /nfs/dbraw/zinc/41/60/77/606416077.db2.gz STMXDCWADUXGKC-HOTGVXAUSA-N -1 3 388.541 3.479 20 0 GGADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@@H]1C ZINC000820741631 606420915 /nfs/dbraw/zinc/42/09/15/606420915.db2.gz DVIKPMOFNSPGNJ-GJZGRUSLSA-N -1 3 377.448 3.174 20 0 GGADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C[C@@H]1C ZINC000820741631 606420917 /nfs/dbraw/zinc/42/09/17/606420917.db2.gz DVIKPMOFNSPGNJ-GJZGRUSLSA-N -1 3 377.448 3.174 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000822191799 606429335 /nfs/dbraw/zinc/42/93/35/606429335.db2.gz QYNCAUCSQOVTMP-SFHVURJKSA-N -1 3 378.480 3.107 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000822191799 606429337 /nfs/dbraw/zinc/42/93/37/606429337.db2.gz QYNCAUCSQOVTMP-SFHVURJKSA-N -1 3 378.480 3.107 20 0 GGADHM C[S@](=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000821942445 606430876 /nfs/dbraw/zinc/43/08/76/606430876.db2.gz NUGSUYMRDMLWFO-SANMLTNESA-N -1 3 381.383 3.235 20 0 GGADHM Cc1cc2nc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)oc2c(C)c1 ZINC000822196207 606434631 /nfs/dbraw/zinc/43/46/31/606434631.db2.gz ACAMBDVWNZJYIU-GFCCVEGCSA-N -1 3 378.392 3.031 20 0 GGADHM Cc1cc2nc(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)oc2c(C)c1 ZINC000822196207 606434633 /nfs/dbraw/zinc/43/46/33/606434633.db2.gz ACAMBDVWNZJYIU-GFCCVEGCSA-N -1 3 378.392 3.031 20 0 GGADHM O=C(OCC[C@H]1CCCO1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823400591 606437507 /nfs/dbraw/zinc/43/75/07/606437507.db2.gz HEEPBKRYWAZZCP-QGZVFWFLSA-N -1 3 394.431 3.172 20 0 GGADHM O=C(OCC[C@H]1CCCO1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823400591 606437510 /nfs/dbraw/zinc/43/75/10/606437510.db2.gz HEEPBKRYWAZZCP-QGZVFWFLSA-N -1 3 394.431 3.172 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000821034581 606442911 /nfs/dbraw/zinc/44/29/11/606442911.db2.gz PKLYRLVUVDQVKY-QAPCUYQASA-N -1 3 377.448 3.364 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000821034581 606442913 /nfs/dbraw/zinc/44/29/13/606442913.db2.gz PKLYRLVUVDQVKY-QAPCUYQASA-N -1 3 377.448 3.364 20 0 GGADHM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000821034579 606443203 /nfs/dbraw/zinc/44/32/03/606443203.db2.gz PKLYRLVUVDQVKY-CRAIPNDOSA-N -1 3 377.448 3.364 20 0 GGADHM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000821034579 606443204 /nfs/dbraw/zinc/44/32/04/606443204.db2.gz PKLYRLVUVDQVKY-CRAIPNDOSA-N -1 3 377.448 3.364 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821035055 606444890 /nfs/dbraw/zinc/44/48/90/606444890.db2.gz ZUYAUZDZTKUFAD-BEFAXECRSA-N -1 3 377.448 3.364 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821035055 606444893 /nfs/dbraw/zinc/44/48/93/606444893.db2.gz ZUYAUZDZTKUFAD-BEFAXECRSA-N -1 3 377.448 3.364 20 0 GGADHM CO[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)C1 ZINC000821697512 606446641 /nfs/dbraw/zinc/44/66/41/606446641.db2.gz CQZHLYKHYIHUKB-HNNXBMFYSA-N -1 3 399.838 3.173 20 0 GGADHM CO[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)C1 ZINC000821697512 606446643 /nfs/dbraw/zinc/44/66/43/606446643.db2.gz CQZHLYKHYIHUKB-HNNXBMFYSA-N -1 3 399.838 3.173 20 0 GGADHM CC[C@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(C)c1 ZINC000820903128 606447683 /nfs/dbraw/zinc/44/76/83/606447683.db2.gz QNKRIDMBXAJPLL-GOSISDBHSA-N -1 3 379.464 3.082 20 0 GGADHM CC[C@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(C)c1 ZINC000820903128 606447685 /nfs/dbraw/zinc/44/76/85/606447685.db2.gz QNKRIDMBXAJPLL-GOSISDBHSA-N -1 3 379.464 3.082 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000819940283 606458078 /nfs/dbraw/zinc/45/80/78/606458078.db2.gz VPWPGBUCQOCLIS-LBPRGKRZSA-N -1 3 378.864 3.014 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000819940283 606458079 /nfs/dbraw/zinc/45/80/79/606458079.db2.gz VPWPGBUCQOCLIS-LBPRGKRZSA-N -1 3 378.864 3.014 20 0 GGADHM CN(CCc1ccncc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000821607360 606462796 /nfs/dbraw/zinc/46/27/96/606462796.db2.gz LOGFQTSUZMFSRK-UHFFFAOYSA-N -1 3 383.818 3.281 20 0 GGADHM CN(CCc1ccncc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000821607360 606462798 /nfs/dbraw/zinc/46/27/98/606462798.db2.gz LOGFQTSUZMFSRK-UHFFFAOYSA-N -1 3 383.818 3.281 20 0 GGADHM CC(C)(C)C(=O)c1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819899814 606463645 /nfs/dbraw/zinc/46/36/45/606463645.db2.gz ZSAZGFXYUDJKCP-UHFFFAOYSA-N -1 3 378.436 3.146 20 0 GGADHM CC(C)(C)C(=O)c1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819899814 606463646 /nfs/dbraw/zinc/46/36/46/606463646.db2.gz ZSAZGFXYUDJKCP-UHFFFAOYSA-N -1 3 378.436 3.146 20 0 GGADHM CCCC(=O)Nc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c(C(C)=O)c1 ZINC000821007553 606464721 /nfs/dbraw/zinc/46/47/21/606464721.db2.gz AJQLFIMRZPZUET-UHFFFAOYSA-N -1 3 399.432 3.089 20 0 GGADHM CCCC(=O)Nc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c(C(C)=O)c1 ZINC000821007553 606464722 /nfs/dbraw/zinc/46/47/22/606464722.db2.gz AJQLFIMRZPZUET-UHFFFAOYSA-N -1 3 399.432 3.089 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C1CCCC1)C(F)(F)F ZINC000820524806 606470300 /nfs/dbraw/zinc/47/03/00/606470300.db2.gz AASRBSHBYAMJGT-YGRLFVJLSA-N -1 3 384.358 3.298 20 0 GGADHM COC(=O)[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821642408 606472452 /nfs/dbraw/zinc/47/24/52/606472452.db2.gz IUZLOSKRSCMJNK-TUKIKUTGSA-N -1 3 397.401 3.039 20 0 GGADHM COC(=O)[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821642408 606472454 /nfs/dbraw/zinc/47/24/54/606472454.db2.gz IUZLOSKRSCMJNK-TUKIKUTGSA-N -1 3 397.401 3.039 20 0 GGADHM Cc1ccc(NC(=O)C2(CNc3ccc(-c4nnn[n-]4)cn3)CCCC2)cc1C ZINC000822242166 606477972 /nfs/dbraw/zinc/47/79/72/606477972.db2.gz CJTOCEUFGDBYTQ-UHFFFAOYSA-N -1 3 391.479 3.490 20 0 GGADHM Cc1ccc(NC(=O)C2(CNc3ccc(-c4nn[n-]n4)cn3)CCCC2)cc1C ZINC000822242166 606477974 /nfs/dbraw/zinc/47/79/74/606477974.db2.gz CJTOCEUFGDBYTQ-UHFFFAOYSA-N -1 3 391.479 3.490 20 0 GGADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376141 606482829 /nfs/dbraw/zinc/48/28/29/606482829.db2.gz XVQWWGSXYNPFPC-UHFFFAOYSA-N -1 3 398.429 3.033 20 0 GGADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376141 606482830 /nfs/dbraw/zinc/48/28/30/606482830.db2.gz XVQWWGSXYNPFPC-UHFFFAOYSA-N -1 3 398.429 3.033 20 0 GGADHM Cc1cc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)on1 ZINC000822198699 606484079 /nfs/dbraw/zinc/48/40/79/606484079.db2.gz GYRLRQUKZLNKJN-CYBMUJFWSA-N -1 3 376.367 3.102 20 0 GGADHM Cc1cc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)on1 ZINC000822198699 606484080 /nfs/dbraw/zinc/48/40/80/606484080.db2.gz GYRLRQUKZLNKJN-CYBMUJFWSA-N -1 3 376.367 3.102 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Oc1ccc(Br)cc1Cl ZINC000823111963 606489814 /nfs/dbraw/zinc/48/98/14/606489814.db2.gz PSKKCVGPMDUNQG-UHFFFAOYSA-N -1 3 393.628 3.431 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Oc1ccc(Br)cc1Cl ZINC000823111963 606489815 /nfs/dbraw/zinc/48/98/15/606489815.db2.gz PSKKCVGPMDUNQG-UHFFFAOYSA-N -1 3 393.628 3.431 20 0 GGADHM Cc1c([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cnn1-c1ccc(F)cc1 ZINC000822020950 606492550 /nfs/dbraw/zinc/49/25/50/606492550.db2.gz OVQBQEWAKZRUPX-JTQLQIEISA-N -1 3 397.439 3.052 20 0 GGADHM Cc1c([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cnn1-c1ccc(F)cc1 ZINC000822020950 606492551 /nfs/dbraw/zinc/49/25/51/606492551.db2.gz OVQBQEWAKZRUPX-JTQLQIEISA-N -1 3 397.439 3.052 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C(F)F ZINC000820501304 606494601 /nfs/dbraw/zinc/49/46/01/606494601.db2.gz IMDGZCSIXLFETM-LLVKDONJSA-N -1 3 398.373 3.458 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C(F)F ZINC000820501304 606494602 /nfs/dbraw/zinc/49/46/02/606494602.db2.gz IMDGZCSIXLFETM-LLVKDONJSA-N -1 3 398.373 3.458 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000823465972 606498394 /nfs/dbraw/zinc/49/83/94/606498394.db2.gz DDQMZPFOYFFWMZ-YUMQZZPRSA-N -1 3 399.320 3.131 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000823465972 606498395 /nfs/dbraw/zinc/49/83/95/606498395.db2.gz DDQMZPFOYFFWMZ-YUMQZZPRSA-N -1 3 399.320 3.131 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000820392326 606498569 /nfs/dbraw/zinc/49/85/69/606498569.db2.gz USFNNCRBOSAEHO-VIFPVBQESA-N -1 3 397.382 3.360 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000820392326 606498571 /nfs/dbraw/zinc/49/85/71/606498571.db2.gz USFNNCRBOSAEHO-VIFPVBQESA-N -1 3 397.382 3.360 20 0 GGADHM COc1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C2CC2)cc1 ZINC000821794438 606501850 /nfs/dbraw/zinc/50/18/50/606501850.db2.gz GWNLIMXVFUJURZ-HNNXBMFYSA-N -1 3 391.475 3.245 20 0 GGADHM COc1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C2CC2)cc1 ZINC000821794438 606501851 /nfs/dbraw/zinc/50/18/51/606501851.db2.gz GWNLIMXVFUJURZ-HNNXBMFYSA-N -1 3 391.475 3.245 20 0 GGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823146870 606503400 /nfs/dbraw/zinc/50/34/00/606503400.db2.gz ZEELIJAJYYOBHA-PWSUYJOCSA-N -1 3 379.367 3.233 20 0 GGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823146870 606503402 /nfs/dbraw/zinc/50/34/02/606503402.db2.gz ZEELIJAJYYOBHA-PWSUYJOCSA-N -1 3 379.367 3.233 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821607220 606505502 /nfs/dbraw/zinc/50/55/02/606505502.db2.gz DWSYGZYXGGBWCX-UHFFFAOYSA-N -1 3 376.247 3.375 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821607220 606505504 /nfs/dbraw/zinc/50/55/04/606505504.db2.gz DWSYGZYXGGBWCX-UHFFFAOYSA-N -1 3 376.247 3.375 20 0 GGADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819898405 606510283 /nfs/dbraw/zinc/51/02/83/606510283.db2.gz FXGZAHWLBFZCBO-HNNXBMFYSA-N -1 3 389.456 3.291 20 0 GGADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819898405 606510284 /nfs/dbraw/zinc/51/02/84/606510284.db2.gz FXGZAHWLBFZCBO-HNNXBMFYSA-N -1 3 389.456 3.291 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccccc2)CC1 ZINC000823375671 606512052 /nfs/dbraw/zinc/51/20/52/606512052.db2.gz DUOREQXXLRCJFT-UHFFFAOYSA-N -1 3 385.431 3.014 20 0 GGADHM Cc1cscc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000822414631 606512215 /nfs/dbraw/zinc/51/22/15/606512215.db2.gz NUUAXIYDHANGRT-UHFFFAOYSA-N -1 3 381.383 3.441 20 0 GGADHM Cc1cscc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000822414631 606512216 /nfs/dbraw/zinc/51/22/16/606512216.db2.gz NUUAXIYDHANGRT-UHFFFAOYSA-N -1 3 381.383 3.441 20 0 GGADHM O=C(C/C=C/c1cccc(F)c1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822945799 606520521 /nfs/dbraw/zinc/52/05/21/606520521.db2.gz RHAHDMILNBFBBG-GQCTYLIASA-N -1 3 397.479 3.459 20 0 GGADHM O=C(C/C=C/c1cccc(F)c1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822945799 606520523 /nfs/dbraw/zinc/52/05/23/606520523.db2.gz RHAHDMILNBFBBG-GQCTYLIASA-N -1 3 397.479 3.459 20 0 GGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376059 606521810 /nfs/dbraw/zinc/52/18/10/606521810.db2.gz VXPKZKPRLVPGBS-UHFFFAOYSA-N -1 3 385.840 3.079 20 0 GGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376059 606521812 /nfs/dbraw/zinc/52/18/12/606521812.db2.gz VXPKZKPRLVPGBS-UHFFFAOYSA-N -1 3 385.840 3.079 20 0 GGADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822236030 606521930 /nfs/dbraw/zinc/52/19/30/606521930.db2.gz HFWIOAHBGXATPR-QGZVFWFLSA-N -1 3 397.504 3.101 20 0 GGADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822236030 606521932 /nfs/dbraw/zinc/52/19/32/606521932.db2.gz HFWIOAHBGXATPR-QGZVFWFLSA-N -1 3 397.504 3.101 20 0 GGADHM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc(C(F)(F)F)cs1 ZINC000820920868 606523711 /nfs/dbraw/zinc/52/37/11/606523711.db2.gz UBQQGXQKYUKRNZ-SSDOTTSWSA-N -1 3 388.400 3.285 20 0 GGADHM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc(C(F)(F)F)cs1 ZINC000820920868 606523713 /nfs/dbraw/zinc/52/37/13/606523713.db2.gz UBQQGXQKYUKRNZ-SSDOTTSWSA-N -1 3 388.400 3.285 20 0 GGADHM C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340243 606528467 /nfs/dbraw/zinc/52/84/67/606528467.db2.gz IYCBGDOUWHALSY-LLVKDONJSA-N -1 3 382.390 3.302 20 0 GGADHM C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340243 606528469 /nfs/dbraw/zinc/52/84/69/606528469.db2.gz IYCBGDOUWHALSY-LLVKDONJSA-N -1 3 382.390 3.302 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823257285 606530355 /nfs/dbraw/zinc/53/03/55/606530355.db2.gz HGJYDMVSMAMSAA-GXTWGEPZSA-N -1 3 382.390 3.035 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823257285 606530356 /nfs/dbraw/zinc/53/03/56/606530356.db2.gz HGJYDMVSMAMSAA-GXTWGEPZSA-N -1 3 382.390 3.035 20 0 GGADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820287862 606530816 /nfs/dbraw/zinc/53/08/16/606530816.db2.gz REZSYXZJSOUPKD-OAHLLOKOSA-N -1 3 393.491 3.290 20 0 GGADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820287862 606530819 /nfs/dbraw/zinc/53/08/19/606530819.db2.gz REZSYXZJSOUPKD-OAHLLOKOSA-N -1 3 393.491 3.290 20 0 GGADHM C[C@H](OC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820728820 606533653 /nfs/dbraw/zinc/53/36/53/606533653.db2.gz YRTMHMBPFZRYOX-KGLIPLIRSA-N -1 3 378.436 3.026 20 0 GGADHM C[C@H](OC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820728820 606533655 /nfs/dbraw/zinc/53/36/55/606533655.db2.gz YRTMHMBPFZRYOX-KGLIPLIRSA-N -1 3 378.436 3.026 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CC1CCC1)CC(F)(F)F ZINC000823060744 606543406 /nfs/dbraw/zinc/54/34/06/606543406.db2.gz JZBVMZPOZJIIGA-UHFFFAOYSA-N -1 3 385.415 3.150 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CC1CCC1)CC(F)(F)F ZINC000823060744 606543408 /nfs/dbraw/zinc/54/34/08/606543408.db2.gz JZBVMZPOZJIIGA-UHFFFAOYSA-N -1 3 385.415 3.150 20 0 GGADHM Cc1csc(-c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822408723 606544960 /nfs/dbraw/zinc/54/49/60/606544960.db2.gz HLKGDUCXMNBAGY-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1csc(-c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822408723 606544962 /nfs/dbraw/zinc/54/49/62/606544962.db2.gz HLKGDUCXMNBAGY-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823092074 606545010 /nfs/dbraw/zinc/54/50/10/606545010.db2.gz BAAXZQKDDFXWHI-GOEBONIOSA-N -1 3 387.365 3.100 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823092074 606545012 /nfs/dbraw/zinc/54/50/12/606545012.db2.gz BAAXZQKDDFXWHI-GOEBONIOSA-N -1 3 387.365 3.100 20 0 GGADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820820722 606547126 /nfs/dbraw/zinc/54/71/26/606547126.db2.gz POQNWXNOQJNWOF-VIFPVBQESA-N -1 3 389.246 3.328 20 0 GGADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820820722 606547128 /nfs/dbraw/zinc/54/71/28/606547128.db2.gz POQNWXNOQJNWOF-VIFPVBQESA-N -1 3 389.246 3.328 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191817 606548053 /nfs/dbraw/zinc/54/80/53/606548053.db2.gz RREYRYAAZIGBBS-AUUYWEPGSA-N -1 3 394.454 3.160 20 0 GGADHM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823360259 606554784 /nfs/dbraw/zinc/55/47/84/606554784.db2.gz XVJNHDKYRWQLOW-UHFFFAOYSA-N -1 3 391.460 3.449 20 0 GGADHM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823360259 606554786 /nfs/dbraw/zinc/55/47/86/606554786.db2.gz XVJNHDKYRWQLOW-UHFFFAOYSA-N -1 3 391.460 3.449 20 0 GGADHM Cc1cc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)c(C)o1 ZINC000822129614 606556572 /nfs/dbraw/zinc/55/65/72/606556572.db2.gz MQGXJNIBESUMTB-UHFFFAOYSA-N -1 3 380.433 3.381 20 0 GGADHM Cc1cc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)c(C)o1 ZINC000822129614 606556574 /nfs/dbraw/zinc/55/65/74/606556574.db2.gz MQGXJNIBESUMTB-UHFFFAOYSA-N -1 3 380.433 3.381 20 0 GGADHM O=C(C=Cc1cccc(F)c1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822929324 606557789 /nfs/dbraw/zinc/55/77/89/606557789.db2.gz SGBBKOISARLPMD-DAXSKMNVSA-N -1 3 390.321 3.364 20 0 GGADHM O=C(C=Cc1cccc(F)c1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822929324 606557790 /nfs/dbraw/zinc/55/77/90/606557790.db2.gz SGBBKOISARLPMD-DAXSKMNVSA-N -1 3 390.321 3.364 20 0 GGADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccsc1 ZINC000819884040 606560244 /nfs/dbraw/zinc/56/02/44/606560244.db2.gz RHIZMRAEPPWLRK-VIFPVBQESA-N -1 3 380.376 3.377 20 0 GGADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccsc1 ZINC000819884040 606560245 /nfs/dbraw/zinc/56/02/45/606560245.db2.gz RHIZMRAEPPWLRK-VIFPVBQESA-N -1 3 380.376 3.377 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(F)c1F ZINC000823422409 606560247 /nfs/dbraw/zinc/56/02/47/606560247.db2.gz UKUCOOPDQAASEK-UHFFFAOYSA-N -1 3 382.273 3.103 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(F)c1F ZINC000823422409 606560248 /nfs/dbraw/zinc/56/02/48/606560248.db2.gz UKUCOOPDQAASEK-UHFFFAOYSA-N -1 3 382.273 3.103 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(F)(F)c1ccccc1 ZINC000823422390 606560316 /nfs/dbraw/zinc/56/03/16/606560316.db2.gz TVCTWPQWJHAACY-UHFFFAOYSA-N -1 3 396.300 3.303 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(F)(F)c1ccccc1 ZINC000823422390 606560317 /nfs/dbraw/zinc/56/03/17/606560317.db2.gz TVCTWPQWJHAACY-UHFFFAOYSA-N -1 3 396.300 3.303 20 0 GGADHM C[C@H]1CCC[C@@H](OCC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC000820696723 606560824 /nfs/dbraw/zinc/56/08/24/606560824.db2.gz BMWBDHSADOZPRV-SMDDNHRTSA-N -1 3 396.394 3.107 20 0 GGADHM C[C@H]1CCC[C@@H](OCC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC000820696723 606560826 /nfs/dbraw/zinc/56/08/26/606560826.db2.gz BMWBDHSADOZPRV-SMDDNHRTSA-N -1 3 396.394 3.107 20 0 GGADHM COc1cccc(-c2nc(COC(=O)c3cc(-c4nnn[n-]4)cs3)cs2)c1 ZINC000821854850 606560934 /nfs/dbraw/zinc/56/09/34/606560934.db2.gz XYQORULDYBBOON-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM COc1cccc(-c2nc(COC(=O)c3cc(-c4nn[n-]n4)cs3)cs2)c1 ZINC000821854850 606560935 /nfs/dbraw/zinc/56/09/35/606560935.db2.gz XYQORULDYBBOON-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820507474 606562668 /nfs/dbraw/zinc/56/26/68/606562668.db2.gz HXUULLRTZGSFTH-BHWZJQCCSA-N -1 3 386.477 3.259 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820507474 606562670 /nfs/dbraw/zinc/56/26/70/606562670.db2.gz HXUULLRTZGSFTH-BHWZJQCCSA-N -1 3 386.477 3.259 20 0 GGADHM CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819958553 606565448 /nfs/dbraw/zinc/56/54/48/606565448.db2.gz OKCCSFMYDCQIJS-UHFFFAOYSA-N -1 3 385.449 3.021 20 0 GGADHM CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819958553 606565450 /nfs/dbraw/zinc/56/54/50/606565450.db2.gz OKCCSFMYDCQIJS-UHFFFAOYSA-N -1 3 385.449 3.021 20 0 GGADHM Cc1c2ccccc2sc1C(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822016341 606568689 /nfs/dbraw/zinc/56/86/89/606568689.db2.gz XUZCLCAREYKPBR-UHFFFAOYSA-N -1 3 384.442 3.491 20 0 GGADHM Cc1c2ccccc2sc1C(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822016341 606568692 /nfs/dbraw/zinc/56/86/92/606568692.db2.gz XUZCLCAREYKPBR-UHFFFAOYSA-N -1 3 384.442 3.491 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822289054 606568950 /nfs/dbraw/zinc/56/89/50/606568950.db2.gz QGYNNNQUSPBJPY-UHFFFAOYSA-N -1 3 385.449 3.156 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822289054 606568951 /nfs/dbraw/zinc/56/89/51/606568951.db2.gz QGYNNNQUSPBJPY-UHFFFAOYSA-N -1 3 385.449 3.156 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H](C)C2CCCC2)c1C ZINC000822482044 606569701 /nfs/dbraw/zinc/56/97/01/606569701.db2.gz JCZYRZCUGJLYPY-CYBMUJFWSA-N -1 3 379.468 3.434 20 0 GGADHM CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)C1 ZINC000821697448 606574506 /nfs/dbraw/zinc/57/45/06/606574506.db2.gz AQJFTBWGGVMPFI-QGZVFWFLSA-N -1 3 394.435 3.220 20 0 GGADHM CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)C1 ZINC000821697448 606574507 /nfs/dbraw/zinc/57/45/07/606574507.db2.gz AQJFTBWGGVMPFI-QGZVFWFLSA-N -1 3 394.435 3.220 20 0 GGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823176370 606580180 /nfs/dbraw/zinc/58/01/80/606580180.db2.gz SGJNRLHECJDADJ-UWVGGRQHSA-N -1 3 386.353 3.496 20 0 GGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823176370 606580182 /nfs/dbraw/zinc/58/01/82/606580182.db2.gz SGJNRLHECJDADJ-UWVGGRQHSA-N -1 3 386.353 3.496 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC(c2ccc(F)cc2)CC1 ZINC000823250019 606587583 /nfs/dbraw/zinc/58/75/83/606587583.db2.gz PJJQIRNQHDSWGA-UHFFFAOYSA-N -1 3 398.417 3.234 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC(c2ccc(F)cc2)CC1 ZINC000823250019 606587585 /nfs/dbraw/zinc/58/75/85/606587585.db2.gz PJJQIRNQHDSWGA-UHFFFAOYSA-N -1 3 398.417 3.234 20 0 GGADHM CO[C@H](C)c1nc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)cs1 ZINC000821674951 606593854 /nfs/dbraw/zinc/59/38/54/606593854.db2.gz ACGNNALHOOQUOI-GFCCVEGCSA-N -1 3 395.492 3.230 20 0 GGADHM CO[C@H](C)c1nc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)cs1 ZINC000821674951 606593856 /nfs/dbraw/zinc/59/38/56/606593856.db2.gz ACGNNALHOOQUOI-GFCCVEGCSA-N -1 3 395.492 3.230 20 0 GGADHM CC[C@@H](O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000820931054 606594754 /nfs/dbraw/zinc/59/47/54/606594754.db2.gz ATDAIQFNJWLPQL-OAHLLOKOSA-N -1 3 376.363 3.491 20 0 GGADHM CC[C@@H](O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000820931054 606594756 /nfs/dbraw/zinc/59/47/56/606594756.db2.gz ATDAIQFNJWLPQL-OAHLLOKOSA-N -1 3 376.363 3.491 20 0 GGADHM COc1cc(C)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1OC ZINC000821708064 606596411 /nfs/dbraw/zinc/59/64/11/606596411.db2.gz JQWFXCUPLRVRNS-UHFFFAOYSA-N -1 3 391.378 3.406 20 0 GGADHM COc1cc(C)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1OC ZINC000821708064 606596412 /nfs/dbraw/zinc/59/64/12/606596412.db2.gz JQWFXCUPLRVRNS-UHFFFAOYSA-N -1 3 391.378 3.406 20 0 GGADHM CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820020128 606596678 /nfs/dbraw/zinc/59/66/78/606596678.db2.gz BZHJPHUQCOGTKP-SFHVURJKSA-N -1 3 398.442 3.057 20 0 GGADHM CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820020128 606596680 /nfs/dbraw/zinc/59/66/80/606596680.db2.gz BZHJPHUQCOGTKP-SFHVURJKSA-N -1 3 398.442 3.057 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821014373 606598263 /nfs/dbraw/zinc/59/82/63/606598263.db2.gz FMJDBOUNTJOXNZ-WDEREUQCSA-N -1 3 399.467 3.395 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821014373 606598264 /nfs/dbraw/zinc/59/82/64/606598264.db2.gz FMJDBOUNTJOXNZ-WDEREUQCSA-N -1 3 399.467 3.395 20 0 GGADHM C[C@@H]1CCCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820704869 606598506 /nfs/dbraw/zinc/59/85/06/606598506.db2.gz QDSMMLUZDWHROF-LLVKDONJSA-N -1 3 397.451 3.102 20 0 GGADHM C[C@@H]1CCCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820704869 606598508 /nfs/dbraw/zinc/59/85/08/606598508.db2.gz QDSMMLUZDWHROF-LLVKDONJSA-N -1 3 397.451 3.102 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1nc(C2CC2)no1 ZINC000822733217 606598848 /nfs/dbraw/zinc/59/88/48/606598848.db2.gz SXRDFRHPUHJUIG-UHFFFAOYSA-N -1 3 380.380 3.162 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1nc(C2CC2)no1 ZINC000822733217 606598849 /nfs/dbraw/zinc/59/88/49/606598849.db2.gz SXRDFRHPUHJUIG-UHFFFAOYSA-N -1 3 380.380 3.162 20 0 GGADHM Cc1cc(C)n(CCSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822198760 606599025 /nfs/dbraw/zinc/59/90/25/606599025.db2.gz JGDREKLVTNNZKN-UHFFFAOYSA-N -1 3 380.424 3.215 20 0 GGADHM Cc1cc(C)n(CCSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822198760 606599027 /nfs/dbraw/zinc/59/90/27/606599027.db2.gz JGDREKLVTNNZKN-UHFFFAOYSA-N -1 3 380.424 3.215 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCCOCC(F)(F)F ZINC000822731307 606599157 /nfs/dbraw/zinc/59/91/57/606599157.db2.gz BNMPGFUALJMECO-UHFFFAOYSA-N -1 3 384.330 3.280 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCCOCC(F)(F)F ZINC000822731307 606599159 /nfs/dbraw/zinc/59/91/59/606599159.db2.gz BNMPGFUALJMECO-UHFFFAOYSA-N -1 3 384.330 3.280 20 0 GGADHM C[C@H](C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccc2ccccc2c1 ZINC000819876030 606603471 /nfs/dbraw/zinc/60/34/71/606603471.db2.gz DDEVADKYKOKOOT-NSHDSACASA-N -1 3 391.460 3.064 20 0 GGADHM C[C@H](C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccc2ccccc2c1 ZINC000819876030 606603472 /nfs/dbraw/zinc/60/34/72/606603472.db2.gz DDEVADKYKOKOOT-NSHDSACASA-N -1 3 391.460 3.064 20 0 GGADHM Cc1cc(CCCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822199930 606604643 /nfs/dbraw/zinc/60/46/43/606604643.db2.gz NPDWFFKRDQGBPH-UHFFFAOYSA-N -1 3 385.493 3.063 20 0 GGADHM O=C(CCc1ccoc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822982183 606604646 /nfs/dbraw/zinc/60/46/46/606604646.db2.gz BDVXKNDDZJBVID-UHFFFAOYSA-N -1 3 379.445 3.437 20 0 GGADHM CO[C@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1(C)C ZINC000821677842 606605203 /nfs/dbraw/zinc/60/52/03/606605203.db2.gz FTUOXCPRQMVYAZ-MSOLQXFVSA-N -1 3 393.447 3.202 20 0 GGADHM CO[C@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1(C)C ZINC000821677842 606605205 /nfs/dbraw/zinc/60/52/05/606605205.db2.gz FTUOXCPRQMVYAZ-MSOLQXFVSA-N -1 3 393.447 3.202 20 0 GGADHM N#CN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccccc1 ZINC000822815555 606608525 /nfs/dbraw/zinc/60/85/25/606608525.db2.gz SSURIGRWVAQZJO-UHFFFAOYSA-N -1 3 393.476 3.123 20 0 GGADHM N#CN(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccccc1 ZINC000822815555 606608526 /nfs/dbraw/zinc/60/85/26/606608526.db2.gz SSURIGRWVAQZJO-UHFFFAOYSA-N -1 3 393.476 3.123 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C=C2CC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000821346538 606620879 /nfs/dbraw/zinc/62/08/79/606620879.db2.gz LGIRYRYZTOGLMU-OHMLCJAVSA-N -1 3 375.454 3.098 20 0 GGADHM CCOC(=O)c1sc(NC(=O)/C=C2\CC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000821346538 606620880 /nfs/dbraw/zinc/62/08/80/606620880.db2.gz LGIRYRYZTOGLMU-OHMLCJAVSA-N -1 3 375.454 3.098 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823055596 606623868 /nfs/dbraw/zinc/62/38/68/606623868.db2.gz RXAUMHXHLISMPS-UHFFFAOYSA-N -1 3 391.353 3.379 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823055596 606623870 /nfs/dbraw/zinc/62/38/70/606623870.db2.gz RXAUMHXHLISMPS-UHFFFAOYSA-N -1 3 391.353 3.379 20 0 GGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000820403432 606625254 /nfs/dbraw/zinc/62/52/54/606625254.db2.gz KDLFNEPRVOQGDA-QMMMGPOBSA-N -1 3 383.355 3.318 20 0 GGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000820403432 606625256 /nfs/dbraw/zinc/62/52/56/606625256.db2.gz KDLFNEPRVOQGDA-QMMMGPOBSA-N -1 3 383.355 3.318 20 0 GGADHM CCC1(COC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)COC1 ZINC000820967952 606629167 /nfs/dbraw/zinc/62/91/67/606629167.db2.gz ZPQWRHZUGJECJK-UHFFFAOYSA-N -1 3 394.431 3.029 20 0 GGADHM CCC1(COC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)COC1 ZINC000820967952 606629169 /nfs/dbraw/zinc/62/91/69/606629169.db2.gz ZPQWRHZUGJECJK-UHFFFAOYSA-N -1 3 394.431 3.029 20 0 GGADHM Cc1cc(F)ccc1N(CC[C@@H]1CCOC1=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822206256 606631671 /nfs/dbraw/zinc/63/16/71/606631671.db2.gz ZZGNNGDGVHRGOP-QGZVFWFLSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1cc(F)ccc1N(CC[C@@H]1CCOC1=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822206256 606631673 /nfs/dbraw/zinc/63/16/73/606631673.db2.gz ZZGNNGDGVHRGOP-QGZVFWFLSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1ccccc1CC1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822356221 606641436 /nfs/dbraw/zinc/64/14/36/606641436.db2.gz NSEYAUMAIWXILW-UHFFFAOYSA-N -1 3 393.516 3.109 20 0 GGADHM Cc1ccccc1CC1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822356221 606641437 /nfs/dbraw/zinc/64/14/37/606641437.db2.gz NSEYAUMAIWXILW-UHFFFAOYSA-N -1 3 393.516 3.109 20 0 GGADHM C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CCOCC1 ZINC000820512280 606654024 /nfs/dbraw/zinc/65/40/24/606654024.db2.gz IWIYNBSLWGGIKS-CYBMUJFWSA-N -1 3 398.419 3.011 20 0 GGADHM C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CCOCC1 ZINC000820512280 606654025 /nfs/dbraw/zinc/65/40/25/606654025.db2.gz IWIYNBSLWGGIKS-CYBMUJFWSA-N -1 3 398.419 3.011 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCC[C@H]2CCC[C@H]21 ZINC000823298989 606658696 /nfs/dbraw/zinc/65/86/96/606658696.db2.gz BKGKWKQYCXANSA-ZWNOBZJWSA-N -1 3 378.383 3.265 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCC[C@H]2CCC[C@H]21 ZINC000823298989 606658697 /nfs/dbraw/zinc/65/86/97/606658697.db2.gz BKGKWKQYCXANSA-ZWNOBZJWSA-N -1 3 378.383 3.265 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000821609775 606659636 /nfs/dbraw/zinc/65/96/36/606659636.db2.gz LKNNIPFRHRKUOF-UHFFFAOYSA-N -1 3 391.262 3.244 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000821609775 606659637 /nfs/dbraw/zinc/65/96/37/606659637.db2.gz LKNNIPFRHRKUOF-UHFFFAOYSA-N -1 3 391.262 3.244 20 0 GGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1c(F)cc(Br)cc1F ZINC000823387802 606665058 /nfs/dbraw/zinc/66/50/58/606665058.db2.gz YORKRCZBYGLNNW-UHFFFAOYSA-N -1 3 386.181 3.221 20 0 GGADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Br ZINC000822248977 606665454 /nfs/dbraw/zinc/66/54/54/606665454.db2.gz WRRVBPYUJPJQGU-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Br ZINC000822248977 606665455 /nfs/dbraw/zinc/66/54/55/606665455.db2.gz WRRVBPYUJPJQGU-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCCC2)c1 ZINC000820374847 606665950 /nfs/dbraw/zinc/66/59/50/606665950.db2.gz RKSUTEXXIHKMHB-OAHLLOKOSA-N -1 3 391.479 3.027 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCCC2)c1 ZINC000820374847 606665951 /nfs/dbraw/zinc/66/59/51/606665951.db2.gz RKSUTEXXIHKMHB-OAHLLOKOSA-N -1 3 391.479 3.027 20 0 GGADHM C[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339681 606666084 /nfs/dbraw/zinc/66/60/84/606666084.db2.gz FXFJLEDYHDWUSK-GUYCJALGSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339681 606666085 /nfs/dbraw/zinc/66/60/85/606666085.db2.gz FXFJLEDYHDWUSK-GUYCJALGSA-N -1 3 380.427 3.266 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C(C)C)cc1 ZINC000821777483 606667149 /nfs/dbraw/zinc/66/71/49/606667149.db2.gz GHXMSXDSKKJYJW-KRWDZBQOSA-N -1 3 387.390 3.281 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(C)C)cc1 ZINC000821777483 606667150 /nfs/dbraw/zinc/66/71/50/606667150.db2.gz GHXMSXDSKKJYJW-KRWDZBQOSA-N -1 3 387.390 3.281 20 0 GGADHM CCCOc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821128505 606667667 /nfs/dbraw/zinc/66/76/67/606667667.db2.gz WAERTJKEDCJTMK-LLVKDONJSA-N -1 3 387.390 3.425 20 0 GGADHM CCCOc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821128505 606667668 /nfs/dbraw/zinc/66/76/68/606667668.db2.gz WAERTJKEDCJTMK-LLVKDONJSA-N -1 3 387.390 3.425 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821100087 606667837 /nfs/dbraw/zinc/66/78/37/606667837.db2.gz SYWXJBMGQQPXDG-VQTJNVASSA-N -1 3 375.476 3.484 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821100087 606667838 /nfs/dbraw/zinc/66/78/38/606667838.db2.gz SYWXJBMGQQPXDG-VQTJNVASSA-N -1 3 375.476 3.484 20 0 GGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820120366 606669993 /nfs/dbraw/zinc/66/99/93/606669993.db2.gz DLDOFHUWCMMKHJ-UHFFFAOYSA-N -1 3 375.354 3.335 20 0 GGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820120366 606669994 /nfs/dbraw/zinc/66/99/94/606669994.db2.gz DLDOFHUWCMMKHJ-UHFFFAOYSA-N -1 3 375.354 3.335 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(F)c1F ZINC000820086869 606670672 /nfs/dbraw/zinc/67/06/72/606670672.db2.gz HIMYEZMXAHBJPX-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(F)c1F ZINC000820086869 606670673 /nfs/dbraw/zinc/67/06/73/606670673.db2.gz HIMYEZMXAHBJPX-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM COc1cccc(N(CC(C)C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821872750 606671262 /nfs/dbraw/zinc/67/12/62/606671262.db2.gz PMHHZFQAYYICLH-UHFFFAOYSA-N -1 3 387.390 3.456 20 0 GGADHM COc1cccc(N(CC(C)C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821872750 606671263 /nfs/dbraw/zinc/67/12/63/606671263.db2.gz PMHHZFQAYYICLH-UHFFFAOYSA-N -1 3 387.390 3.456 20 0 GGADHM CC(C)CC1(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCCC1 ZINC000820061450 606675675 /nfs/dbraw/zinc/67/56/75/606675675.db2.gz BKTWPNYTORNWJP-UHFFFAOYSA-N -1 3 382.512 3.122 20 0 GGADHM CC(C)CC1(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCCC1 ZINC000820061450 606675676 /nfs/dbraw/zinc/67/56/76/606675676.db2.gz BKTWPNYTORNWJP-UHFFFAOYSA-N -1 3 382.512 3.122 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821681929 606676936 /nfs/dbraw/zinc/67/69/36/606676936.db2.gz VRXRASKWFILRBD-CQSZACIVSA-N -1 3 395.463 3.365 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821681929 606676937 /nfs/dbraw/zinc/67/69/37/606676937.db2.gz VRXRASKWFILRBD-CQSZACIVSA-N -1 3 395.463 3.365 20 0 GGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000822427103 606678306 /nfs/dbraw/zinc/67/83/06/606678306.db2.gz CQWGDZCHNHDJMC-QMMMGPOBSA-N -1 3 378.408 3.051 20 0 GGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000822427103 606678307 /nfs/dbraw/zinc/67/83/07/606678307.db2.gz CQWGDZCHNHDJMC-QMMMGPOBSA-N -1 3 378.408 3.051 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc21 ZINC000820214803 606680638 /nfs/dbraw/zinc/68/06/38/606680638.db2.gz OZIIJYUDSQACEG-UHFFFAOYSA-N -1 3 383.362 3.328 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc21 ZINC000820214803 606680639 /nfs/dbraw/zinc/68/06/39/606680639.db2.gz OZIIJYUDSQACEG-UHFFFAOYSA-N -1 3 383.362 3.328 20 0 GGADHM O=C(Nc1ccc(F)c(Br)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823338077 606683646 /nfs/dbraw/zinc/68/36/46/606683646.db2.gz XTKVATPWTSTYFI-UHFFFAOYSA-N -1 3 398.142 3.299 20 0 GGADHM O=C(Nc1ccc(F)c(Br)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823338077 606683647 /nfs/dbraw/zinc/68/36/47/606683647.db2.gz XTKVATPWTSTYFI-UHFFFAOYSA-N -1 3 398.142 3.299 20 0 GGADHM Cc1c2ccccc2oc(=O)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822020561 606685018 /nfs/dbraw/zinc/68/50/18/606685018.db2.gz DVGIQBFXQOLBQG-LBPRGKRZSA-N -1 3 376.372 3.200 20 0 GGADHM Cc1c2ccccc2oc(=O)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822020561 606685019 /nfs/dbraw/zinc/68/50/19/606685019.db2.gz DVGIQBFXQOLBQG-LBPRGKRZSA-N -1 3 376.372 3.200 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C12CCCCC2 ZINC000821362171 606686628 /nfs/dbraw/zinc/68/66/28/606686628.db2.gz YSUHQQSXBBTKOR-GJZGRUSLSA-N -1 3 391.422 3.003 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C12CCCCC2 ZINC000821362171 606686629 /nfs/dbraw/zinc/68/66/29/606686629.db2.gz YSUHQQSXBBTKOR-GJZGRUSLSA-N -1 3 391.422 3.003 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c(C)n1 ZINC000822254216 606693448 /nfs/dbraw/zinc/69/34/48/606693448.db2.gz DPRZSLIHZSGQOW-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c(C)n1 ZINC000822254216 606693449 /nfs/dbraw/zinc/69/34/49/606693449.db2.gz DPRZSLIHZSGQOW-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM C[C@@]1(CNC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000820618888 606696106 /nfs/dbraw/zinc/69/61/06/606696106.db2.gz RSOSANGYSCLREY-FQEVSTJZSA-N -1 3 394.435 3.350 20 0 GGADHM C[C@@]1(CNC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000820618888 606696107 /nfs/dbraw/zinc/69/61/07/606696107.db2.gz RSOSANGYSCLREY-FQEVSTJZSA-N -1 3 394.435 3.350 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820995814 606697176 /nfs/dbraw/zinc/69/71/76/606697176.db2.gz YMULBOBCUZLJFV-OAHLLOKOSA-N -1 3 395.442 3.268 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820995814 606697177 /nfs/dbraw/zinc/69/71/77/606697177.db2.gz YMULBOBCUZLJFV-OAHLLOKOSA-N -1 3 395.442 3.268 20 0 GGADHM CCOc1cc(C)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821393817 606699319 /nfs/dbraw/zinc/69/93/19/606699319.db2.gz BRYZEFXQGVKMCG-UHFFFAOYSA-N -1 3 377.408 3.236 20 0 GGADHM CCOc1cc(C)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821393817 606699321 /nfs/dbraw/zinc/69/93/21/606699321.db2.gz BRYZEFXQGVKMCG-UHFFFAOYSA-N -1 3 377.408 3.236 20 0 GGADHM Cc1ccn(-c2ccccc2NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000822370158 606706777 /nfs/dbraw/zinc/70/67/77/606706777.db2.gz RYKVSGLBTGCJTP-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM Cc1ccn(-c2ccccc2NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000822370158 606706779 /nfs/dbraw/zinc/70/67/79/606706779.db2.gz RYKVSGLBTGCJTP-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM Cn1c(Cl)cnc1CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822599240 606708137 /nfs/dbraw/zinc/70/81/37/606708137.db2.gz BZNKRXGYKGMOCK-UHFFFAOYSA-N -1 3 395.854 3.445 20 0 GGADHM Cn1c(Cl)cnc1CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822599240 606708139 /nfs/dbraw/zinc/70/81/39/606708139.db2.gz BZNKRXGYKGMOCK-UHFFFAOYSA-N -1 3 395.854 3.445 20 0 GGADHM COc1cccc(Br)c1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000821854735 606708235 /nfs/dbraw/zinc/70/82/35/606708235.db2.gz SZVCZRHJGQUMMN-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM COc1cccc(Br)c1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000821854735 606708237 /nfs/dbraw/zinc/70/82/37/606708237.db2.gz SZVCZRHJGQUMMN-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3ccc(Cl)nc3)c2c1 ZINC000822753582 606721900 /nfs/dbraw/zinc/72/19/00/606721900.db2.gz OLTKYPJBVQOPFC-UHFFFAOYSA-N -1 3 387.781 3.396 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3ccc(Cl)nc3)c2c1 ZINC000822753582 606721902 /nfs/dbraw/zinc/72/19/02/606721902.db2.gz OLTKYPJBVQOPFC-UHFFFAOYSA-N -1 3 387.781 3.396 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000819928263 606724424 /nfs/dbraw/zinc/72/44/24/606724424.db2.gz MQOFETITEYMUKT-LBPRGKRZSA-N -1 3 377.876 3.468 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000819928263 606724425 /nfs/dbraw/zinc/72/44/25/606724425.db2.gz MQOFETITEYMUKT-LBPRGKRZSA-N -1 3 377.876 3.468 20 0 GGADHM CCc1noc(CC)c1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821559114 606724875 /nfs/dbraw/zinc/72/48/75/606724875.db2.gz UJLWDDMQKUUYEH-UHFFFAOYSA-N -1 3 385.378 3.418 20 0 GGADHM CCc1noc(CC)c1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821559114 606724877 /nfs/dbraw/zinc/72/48/77/606724877.db2.gz UJLWDDMQKUUYEH-UHFFFAOYSA-N -1 3 385.378 3.418 20 0 GGADHM COCCOc1cc(C)ccc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821692802 606727495 /nfs/dbraw/zinc/72/74/95/606727495.db2.gz CLEMRKZNBFUGMP-UHFFFAOYSA-N -1 3 390.447 3.361 20 0 GGADHM COCCOc1cc(C)ccc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821692802 606727496 /nfs/dbraw/zinc/72/74/96/606727496.db2.gz CLEMRKZNBFUGMP-UHFFFAOYSA-N -1 3 390.447 3.361 20 0 GGADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1)c1ccc2ccccc2c1 ZINC000823149800 606732349 /nfs/dbraw/zinc/73/23/49/606732349.db2.gz GXPVLPKILLYLNU-HXUWFJFHSA-N -1 3 398.470 3.419 20 0 GGADHM Cc1c(NC(=O)COc2ccccc2-c2nnn[n-]2)cccc1C(F)(F)F ZINC000822077848 606739388 /nfs/dbraw/zinc/73/93/88/606739388.db2.gz ZJNCWASGYMSIQR-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM Cc1c(NC(=O)COc2ccccc2-c2nn[n-]n2)cccc1C(F)(F)F ZINC000822077848 606739389 /nfs/dbraw/zinc/73/93/89/606739389.db2.gz ZJNCWASGYMSIQR-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM CCOCCC1(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000821373036 606745257 /nfs/dbraw/zinc/74/52/57/606745257.db2.gz BWGVFZDRKZPUPB-HNNXBMFYSA-N -1 3 386.500 3.214 20 0 GGADHM CCOCCC1(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000821373036 606745258 /nfs/dbraw/zinc/74/52/58/606745258.db2.gz BWGVFZDRKZPUPB-HNNXBMFYSA-N -1 3 386.500 3.214 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1ccccc1SC(C)C ZINC000821701232 606745918 /nfs/dbraw/zinc/74/59/18/606745918.db2.gz HHRJCIULPFQMNT-UHFFFAOYSA-N -1 3 399.476 3.393 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccccc1SC(C)C ZINC000821701232 606745920 /nfs/dbraw/zinc/74/59/20/606745920.db2.gz HHRJCIULPFQMNT-UHFFFAOYSA-N -1 3 399.476 3.393 20 0 GGADHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000443022700 606746075 /nfs/dbraw/zinc/74/60/75/606746075.db2.gz QMOZDLTXBKNCOF-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000443022700 606746077 /nfs/dbraw/zinc/74/60/77/606746077.db2.gz QMOZDLTXBKNCOF-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM C[C@@H]1CSc2ccccc2N1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820814149 606748547 /nfs/dbraw/zinc/74/85/47/606748547.db2.gz RZOXZUBBFXYHNE-GFCCVEGCSA-N -1 3 391.460 3.418 20 0 GGADHM C[C@@H]1CSc2ccccc2N1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820814149 606748548 /nfs/dbraw/zinc/74/85/48/606748548.db2.gz RZOXZUBBFXYHNE-GFCCVEGCSA-N -1 3 391.460 3.418 20 0 GGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1c(F)cc(Br)cc1F ZINC000823430243 606748968 /nfs/dbraw/zinc/74/89/68/606748968.db2.gz IRZMXVYSFYYQMO-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1c(F)cc(Br)cc1F ZINC000823430243 606748969 /nfs/dbraw/zinc/74/89/69/606748969.db2.gz IRZMXVYSFYYQMO-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000822015317 606749412 /nfs/dbraw/zinc/74/94/12/606749412.db2.gz IBXMNHBXMPDCNI-RDJZCZTQSA-N -1 3 397.527 3.213 20 0 GGADHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000822015317 606749414 /nfs/dbraw/zinc/74/94/14/606749414.db2.gz IBXMNHBXMPDCNI-RDJZCZTQSA-N -1 3 397.527 3.213 20 0 GGADHM CC(C)(C)c1csc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819965664 606752109 /nfs/dbraw/zinc/75/21/09/606752109.db2.gz MEGNRFZBMQRMDB-UHFFFAOYSA-N -1 3 389.506 3.456 20 0 GGADHM CC(C)(C)c1csc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819965664 606752110 /nfs/dbraw/zinc/75/21/10/606752110.db2.gz MEGNRFZBMQRMDB-UHFFFAOYSA-N -1 3 389.506 3.456 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823151057 606752581 /nfs/dbraw/zinc/75/25/81/606752581.db2.gz WCNPUYUEFHLDPQ-AQNXPRMDSA-N -1 3 389.459 3.221 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823151057 606752582 /nfs/dbraw/zinc/75/25/82/606752582.db2.gz WCNPUYUEFHLDPQ-AQNXPRMDSA-N -1 3 389.459 3.221 20 0 GGADHM Cc1ncsc1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000822482544 606754489 /nfs/dbraw/zinc/75/44/89/606754489.db2.gz VNENFRSUAGCOFB-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1ncsc1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000822482544 606754491 /nfs/dbraw/zinc/75/44/91/606754491.db2.gz VNENFRSUAGCOFB-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM CC(C)c1ccc(C(=O)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820187863 606756057 /nfs/dbraw/zinc/75/60/57/606756057.db2.gz WPQPSUJTZMGXOG-UHFFFAOYSA-N -1 3 386.358 3.308 20 0 GGADHM CC(C)c1ccc(C(=O)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820187863 606756059 /nfs/dbraw/zinc/75/60/59/606756059.db2.gz WPQPSUJTZMGXOG-UHFFFAOYSA-N -1 3 386.358 3.308 20 0 GGADHM O=C(OCc1cc(-c2ccccc2)no1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823413560 606756158 /nfs/dbraw/zinc/75/61/58/606756158.db2.gz JXCQHWZRTYBCMB-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM O=C(OCc1cc(-c2ccccc2)no1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823413560 606756159 /nfs/dbraw/zinc/75/61/59/606756159.db2.gz JXCQHWZRTYBCMB-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM O=C(OCc1cc(F)cc2cccnc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823414081 606757936 /nfs/dbraw/zinc/75/79/36/606757936.db2.gz RYGNXAVFPJCHQO-UHFFFAOYSA-N -1 3 385.305 3.189 20 0 GGADHM O=C(OCc1cc(F)cc2cccnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823414081 606757937 /nfs/dbraw/zinc/75/79/37/606757937.db2.gz RYGNXAVFPJCHQO-UHFFFAOYSA-N -1 3 385.305 3.189 20 0 GGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ncc(C(C)(C)C)o1 ZINC000820500773 606758117 /nfs/dbraw/zinc/75/81/17/606758117.db2.gz GKNIHEOMEQNFIH-MRVPVSSYSA-N -1 3 377.351 3.348 20 0 GGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ncc(C(C)(C)C)o1 ZINC000820500773 606758119 /nfs/dbraw/zinc/75/81/19/606758119.db2.gz GKNIHEOMEQNFIH-MRVPVSSYSA-N -1 3 377.351 3.348 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccccc1Cl ZINC000823430896 606760954 /nfs/dbraw/zinc/76/09/54/606760954.db2.gz LEEKHYKYZNXACU-UHFFFAOYSA-N -1 3 380.795 3.267 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(Br)s1 ZINC000822182882 606762963 /nfs/dbraw/zinc/76/29/63/606762963.db2.gz CBDNCKUYBLLKRG-UHFFFAOYSA-N -1 3 397.229 3.495 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(Br)s1 ZINC000822182882 606762965 /nfs/dbraw/zinc/76/29/65/606762965.db2.gz CBDNCKUYBLLKRG-UHFFFAOYSA-N -1 3 397.229 3.495 20 0 GGADHM CC(C)C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000820062781 606763922 /nfs/dbraw/zinc/76/39/22/606763922.db2.gz OOURIWROQDSWCZ-KSSFIOAISA-N -1 3 381.436 3.360 20 0 GGADHM CC(C)C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000820062781 606763924 /nfs/dbraw/zinc/76/39/24/606763924.db2.gz OOURIWROQDSWCZ-KSSFIOAISA-N -1 3 381.436 3.360 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000822217292 606770926 /nfs/dbraw/zinc/77/09/26/606770926.db2.gz ABYCVOCMKOSNIB-LBPRGKRZSA-N -1 3 390.407 3.108 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000822217292 606770927 /nfs/dbraw/zinc/77/09/27/606770927.db2.gz ABYCVOCMKOSNIB-LBPRGKRZSA-N -1 3 390.407 3.108 20 0 GGADHM CC(C)(CO)CCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819984210 606773443 /nfs/dbraw/zinc/77/34/43/606773443.db2.gz RAZCCHNSQHFNTA-UHFFFAOYSA-N -1 3 379.464 3.062 20 0 GGADHM CC(C)(CO)CCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819984210 606773445 /nfs/dbraw/zinc/77/34/45/606773445.db2.gz RAZCCHNSQHFNTA-UHFFFAOYSA-N -1 3 379.464 3.062 20 0 GGADHM FC(F)COc1ccccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822732605 606777032 /nfs/dbraw/zinc/77/70/32/606777032.db2.gz MFIHQQXZRMCPGF-UHFFFAOYSA-N -1 3 375.379 3.392 20 0 GGADHM CCN(Cc1cccc(F)c1)C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821222486 606780128 /nfs/dbraw/zinc/78/01/28/606780128.db2.gz VCSAOZARODPABR-UHFFFAOYSA-N -1 3 389.818 3.087 20 0 GGADHM CCN(Cc1cccc(F)c1)C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821222486 606780129 /nfs/dbraw/zinc/78/01/29/606780129.db2.gz VCSAOZARODPABR-UHFFFAOYSA-N -1 3 389.818 3.087 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccccc1OC(F)F ZINC000823032348 606781327 /nfs/dbraw/zinc/78/13/27/606781327.db2.gz QTGLIMBJVLIPCQ-UHFFFAOYSA-N -1 3 395.753 3.139 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccccc1OC(F)F ZINC000823032348 606781329 /nfs/dbraw/zinc/78/13/29/606781329.db2.gz QTGLIMBJVLIPCQ-UHFFFAOYSA-N -1 3 395.753 3.139 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820876218 606787143 /nfs/dbraw/zinc/78/71/43/606787143.db2.gz NQHAUMRYDLYFAD-OAHLLOKOSA-N -1 3 394.479 3.352 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820876218 606787146 /nfs/dbraw/zinc/78/71/46/606787146.db2.gz NQHAUMRYDLYFAD-OAHLLOKOSA-N -1 3 394.479 3.352 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NO[C@@H]2CCCCO2)cc1 ZINC000822145650 606790099 /nfs/dbraw/zinc/79/00/99/606790099.db2.gz SPDVLKIMXPPIGV-GOSISDBHSA-N -1 3 395.419 3.155 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NO[C@@H]2CCCCO2)cc1 ZINC000822145650 606790101 /nfs/dbraw/zinc/79/01/01/606790101.db2.gz SPDVLKIMXPPIGV-GOSISDBHSA-N -1 3 395.419 3.155 20 0 GGADHM CC[C@H]1CC[C@@H](C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)O1 ZINC000820971752 606792063 /nfs/dbraw/zinc/79/20/63/606792063.db2.gz FPVNORVTKMGQJU-GJZGRUSLSA-N -1 3 383.477 3.169 20 0 GGADHM O=C([C@H]1CCSC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822917780 606797338 /nfs/dbraw/zinc/79/73/38/606797338.db2.gz WWIJSWQHMYLOFF-KRWDZBQOSA-N -1 3 397.479 3.288 20 0 GGADHM O=C([C@H]1CCSC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822917780 606797340 /nfs/dbraw/zinc/79/73/40/606797340.db2.gz WWIJSWQHMYLOFF-KRWDZBQOSA-N -1 3 397.479 3.288 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823175272 606810157 /nfs/dbraw/zinc/81/01/57/606810157.db2.gz DPYRGXMBMIPTGS-KRWDZBQOSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823175272 606810158 /nfs/dbraw/zinc/81/01/58/606810158.db2.gz DPYRGXMBMIPTGS-KRWDZBQOSA-N -1 3 395.488 3.071 20 0 GGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820876838 606812345 /nfs/dbraw/zinc/81/23/45/606812345.db2.gz UTXYCCAEOFHYJZ-HNNXBMFYSA-N -1 3 379.464 3.211 20 0 GGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820876838 606812347 /nfs/dbraw/zinc/81/23/47/606812347.db2.gz UTXYCCAEOFHYJZ-HNNXBMFYSA-N -1 3 379.464 3.211 20 0 GGADHM C[C@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000820397324 606816449 /nfs/dbraw/zinc/81/64/49/606816449.db2.gz OFUUJPDVXMRVLG-AWEZNQCLSA-N -1 3 392.463 3.155 20 0 GGADHM C[C@@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000820397326 606816674 /nfs/dbraw/zinc/81/66/74/606816674.db2.gz OFUUJPDVXMRVLG-CQSZACIVSA-N -1 3 392.463 3.155 20 0 GGADHM CN(c1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000821619066 606819133 /nfs/dbraw/zinc/81/91/33/606819133.db2.gz ICBZXLUBYUKSGU-UHFFFAOYSA-N -1 3 391.479 3.296 20 0 GGADHM CCCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821114021 606822225 /nfs/dbraw/zinc/82/22/25/606822225.db2.gz IZNQMDXUPQXOSI-GFCCVEGCSA-N -1 3 384.415 3.125 20 0 GGADHM CCCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821114021 606822226 /nfs/dbraw/zinc/82/22/26/606822226.db2.gz IZNQMDXUPQXOSI-GFCCVEGCSA-N -1 3 384.415 3.125 20 0 GGADHM CC(C)(C)CCNC(=O)CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000819914601 606825850 /nfs/dbraw/zinc/82/58/50/606825850.db2.gz YUJWOPQBVULFBY-UHFFFAOYSA-N -1 3 395.467 3.018 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820563102 606827672 /nfs/dbraw/zinc/82/76/72/606827672.db2.gz NXOHICFWWSTHHI-LLVKDONJSA-N -1 3 388.834 3.291 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820563102 606827673 /nfs/dbraw/zinc/82/76/73/606827673.db2.gz NXOHICFWWSTHHI-LLVKDONJSA-N -1 3 388.834 3.291 20 0 GGADHM CC(C)CC1(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCC1 ZINC000820063618 606829301 /nfs/dbraw/zinc/82/93/01/606829301.db2.gz XNNUEMYQZWPSQV-UHFFFAOYSA-N -1 3 382.424 3.176 20 0 GGADHM CC(C)CC1(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCC1 ZINC000820063618 606829303 /nfs/dbraw/zinc/82/93/03/606829303.db2.gz XNNUEMYQZWPSQV-UHFFFAOYSA-N -1 3 382.424 3.176 20 0 GGADHM Cc1nnc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)o1 ZINC000822510393 606830107 /nfs/dbraw/zinc/83/01/07/606830107.db2.gz MRJFIIOJZDBWLM-UHFFFAOYSA-N -1 3 392.375 3.016 20 0 GGADHM Cc1nnc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)o1 ZINC000822510393 606830109 /nfs/dbraw/zinc/83/01/09/606830109.db2.gz MRJFIIOJZDBWLM-UHFFFAOYSA-N -1 3 392.375 3.016 20 0 GGADHM Cc1nc(C2(NC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCCCCC2)no1 ZINC000822431731 606835319 /nfs/dbraw/zinc/83/53/19/606835319.db2.gz HOSRDCSJGNDWQJ-UHFFFAOYSA-N -1 3 396.455 3.238 20 0 GGADHM Cc1nc(C2(NC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCCCCC2)no1 ZINC000822431731 606835321 /nfs/dbraw/zinc/83/53/21/606835321.db2.gz HOSRDCSJGNDWQJ-UHFFFAOYSA-N -1 3 396.455 3.238 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1ccccc1 ZINC000820549526 606840681 /nfs/dbraw/zinc/84/06/81/606840681.db2.gz OMJSVGDGDVXBJC-OAHLLOKOSA-N -1 3 397.504 3.420 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1ccccc1 ZINC000820549526 606840682 /nfs/dbraw/zinc/84/06/82/606840682.db2.gz OMJSVGDGDVXBJC-OAHLLOKOSA-N -1 3 397.504 3.420 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1 ZINC000820549598 606842172 /nfs/dbraw/zinc/84/21/72/606842172.db2.gz PHQSBLZKBDFCPG-OAHLLOKOSA-N -1 3 397.504 3.074 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccc1 ZINC000820549598 606842174 /nfs/dbraw/zinc/84/21/74/606842174.db2.gz PHQSBLZKBDFCPG-OAHLLOKOSA-N -1 3 397.504 3.074 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821014558 606842362 /nfs/dbraw/zinc/84/23/62/606842362.db2.gz JFPNOKGCXYICBE-ZIAGYGMSSA-N -1 3 377.514 3.062 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821014558 606842363 /nfs/dbraw/zinc/84/23/63/606842363.db2.gz JFPNOKGCXYICBE-ZIAGYGMSSA-N -1 3 377.514 3.062 20 0 GGADHM CCn1c(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1cccs1 ZINC000821565478 606846082 /nfs/dbraw/zinc/84/60/82/606846082.db2.gz USSXPRVDYZZDIJ-ZDUSSCGKSA-N -1 3 399.505 3.032 20 0 GGADHM CCn1c(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1cccs1 ZINC000821565478 606846083 /nfs/dbraw/zinc/84/60/83/606846083.db2.gz USSXPRVDYZZDIJ-ZDUSSCGKSA-N -1 3 399.505 3.032 20 0 GGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1cccs1 ZINC000820549339 606852622 /nfs/dbraw/zinc/85/26/22/606852622.db2.gz MIYHKLLNDDXHAN-SECBINFHSA-N -1 3 379.898 3.379 20 0 GGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1cccs1 ZINC000820549339 606852624 /nfs/dbraw/zinc/85/26/24/606852624.db2.gz MIYHKLLNDDXHAN-SECBINFHSA-N -1 3 379.898 3.379 20 0 GGADHM CC(C)[C@H](CCO)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000820021171 606860879 /nfs/dbraw/zinc/86/08/79/606860879.db2.gz QGZJMYJJPRPGHB-INIZCTEOSA-N -1 3 397.504 3.155 20 0 GGADHM CC(C)[C@H](CCO)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000820021171 606860880 /nfs/dbraw/zinc/86/08/80/606860880.db2.gz QGZJMYJJPRPGHB-INIZCTEOSA-N -1 3 397.504 3.155 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819817775 606862974 /nfs/dbraw/zinc/86/29/74/606862974.db2.gz MRURVASOYIBFRS-UHFFFAOYSA-N -1 3 386.843 3.360 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819817775 606862976 /nfs/dbraw/zinc/86/29/76/606862976.db2.gz MRURVASOYIBFRS-UHFFFAOYSA-N -1 3 386.843 3.360 20 0 GGADHM COC(=O)[C@H](NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821642800 606863018 /nfs/dbraw/zinc/86/30/18/606863018.db2.gz PRFGGGMGCYMHGN-LJQANCHMSA-N -1 3 391.475 3.083 20 0 GGADHM COC(=O)[C@H](NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821642800 606863019 /nfs/dbraw/zinc/86/30/19/606863019.db2.gz PRFGGGMGCYMHGN-LJQANCHMSA-N -1 3 391.475 3.083 20 0 GGADHM CCN(CC)C(=O)c1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821175909 606863967 /nfs/dbraw/zinc/86/39/67/606863967.db2.gz ZEYJZXKENVDVHO-UHFFFAOYSA-N -1 3 394.479 3.230 20 0 GGADHM CCN(CC)C(=O)c1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821175909 606863968 /nfs/dbraw/zinc/86/39/68/606863968.db2.gz ZEYJZXKENVDVHO-UHFFFAOYSA-N -1 3 394.479 3.230 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000821765552 606864190 /nfs/dbraw/zinc/86/41/90/606864190.db2.gz FQJZQPRRJWBELZ-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM COc1ccc(-c2cncc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c2)cc1 ZINC000821732815 606864490 /nfs/dbraw/zinc/86/44/90/606864490.db2.gz UWHUYEJKMMUKMG-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM COc1ccc(-c2cncc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c2)cc1 ZINC000821732815 606864491 /nfs/dbraw/zinc/86/44/91/606864491.db2.gz UWHUYEJKMMUKMG-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM Cc1ccc(-c2cncc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)c2)cc1 ZINC000822214049 606865097 /nfs/dbraw/zinc/86/50/97/606865097.db2.gz NGUYAZZMCLYNTL-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM Cc1ccc(-c2cncc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)c2)cc1 ZINC000822214049 606865099 /nfs/dbraw/zinc/86/50/99/606865099.db2.gz NGUYAZZMCLYNTL-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM CC1(C)c2cc(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2NC1=O ZINC000820577867 606866544 /nfs/dbraw/zinc/86/65/44/606866544.db2.gz WVCUDCNXCKMYPA-UHFFFAOYSA-N -1 3 379.445 3.071 20 0 GGADHM CC1(C)c2cc(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000820577867 606866545 /nfs/dbraw/zinc/86/65/45/606866545.db2.gz WVCUDCNXCKMYPA-UHFFFAOYSA-N -1 3 379.445 3.071 20 0 GGADHM Cc1noc(CCCSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000822527804 606867412 /nfs/dbraw/zinc/86/74/12/606867412.db2.gz FKCMSOUTDCAYJV-UHFFFAOYSA-N -1 3 379.449 3.345 20 0 GGADHM Cc1noc(CCCSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000822527804 606867414 /nfs/dbraw/zinc/86/74/14/606867414.db2.gz FKCMSOUTDCAYJV-UHFFFAOYSA-N -1 3 379.449 3.345 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000821509919 606870296 /nfs/dbraw/zinc/87/02/96/606870296.db2.gz PNWLLQCNOQEYKO-AWEZNQCLSA-N -1 3 383.481 3.427 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000821509919 606870298 /nfs/dbraw/zinc/87/02/98/606870298.db2.gz PNWLLQCNOQEYKO-AWEZNQCLSA-N -1 3 383.481 3.427 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000820087716 606871825 /nfs/dbraw/zinc/87/18/25/606871825.db2.gz YBLDAAYTKZCTIH-UHFFFAOYSA-N -1 3 393.495 3.477 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000820087716 606871826 /nfs/dbraw/zinc/87/18/26/606871826.db2.gz YBLDAAYTKZCTIH-UHFFFAOYSA-N -1 3 393.495 3.477 20 0 GGADHM CCC[C@@H]1CCCN(C(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821039130 606871969 /nfs/dbraw/zinc/87/19/69/606871969.db2.gz ALOATWYCQBAKAG-OAHLLOKOSA-N -1 3 387.484 3.073 20 0 GGADHM CCC[C@@H]1CCCN(C(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821039130 606871971 /nfs/dbraw/zinc/87/19/71/606871971.db2.gz ALOATWYCQBAKAG-OAHLLOKOSA-N -1 3 387.484 3.073 20 0 GGADHM CCC[C@@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821041117 606872582 /nfs/dbraw/zinc/87/25/82/606872582.db2.gz ZICHWXKPNNRHRK-OAHLLOKOSA-N -1 3 388.541 3.318 20 0 GGADHM CCC[C@@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821041117 606872583 /nfs/dbraw/zinc/87/25/83/606872583.db2.gz ZICHWXKPNNRHRK-OAHLLOKOSA-N -1 3 388.541 3.318 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820385883 606874640 /nfs/dbraw/zinc/87/46/40/606874640.db2.gz VHYUPANJAVXDDH-ZDUSSCGKSA-N -1 3 395.467 3.460 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820385883 606874641 /nfs/dbraw/zinc/87/46/41/606874641.db2.gz VHYUPANJAVXDDH-ZDUSSCGKSA-N -1 3 395.467 3.460 20 0 GGADHM Cc1nc(CCNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)sc1C ZINC000822440227 606875882 /nfs/dbraw/zinc/87/58/82/606875882.db2.gz KDVIEIQWRYOZSP-UHFFFAOYSA-N -1 3 385.884 3.218 20 0 GGADHM Cc1nc(CCNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)sc1C ZINC000822440227 606875883 /nfs/dbraw/zinc/87/58/83/606875883.db2.gz KDVIEIQWRYOZSP-UHFFFAOYSA-N -1 3 385.884 3.218 20 0 GGADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000822591150 606875978 /nfs/dbraw/zinc/87/59/78/606875978.db2.gz SIAJFGLUBAAGQY-SNVBAGLBSA-N -1 3 376.251 3.259 20 0 GGADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000822591150 606875979 /nfs/dbraw/zinc/87/59/79/606875979.db2.gz SIAJFGLUBAAGQY-SNVBAGLBSA-N -1 3 376.251 3.259 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820685673 606879107 /nfs/dbraw/zinc/87/91/07/606879107.db2.gz UUQDMMNYYMFCPS-HUUCEWRRSA-N -1 3 377.448 3.459 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820685673 606879109 /nfs/dbraw/zinc/87/91/09/606879109.db2.gz UUQDMMNYYMFCPS-HUUCEWRRSA-N -1 3 377.448 3.459 20 0 GGADHM O[C@@H](CN1CCc2c(ccc(Cl)c2Cl)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682219 606892175 /nfs/dbraw/zinc/89/21/75/606892175.db2.gz ONWQOOLQCNNBBL-INIZCTEOSA-N -1 3 390.274 3.265 20 0 GGADHM c1cn(C2CCCC2)nc1CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823743239 606896406 /nfs/dbraw/zinc/89/64/06/606896406.db2.gz WJSAXFIZHJTZSS-UHFFFAOYSA-N -1 3 393.495 3.222 20 0 GGADHM COC1CCC(OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000821679638 606897600 /nfs/dbraw/zinc/89/76/00/606897600.db2.gz GCWIJFKZUPBPEJ-UHFFFAOYSA-N -1 3 398.419 3.153 20 0 GGADHM CC(C)c1noc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC000820211504 606900573 /nfs/dbraw/zinc/90/05/73/606900573.db2.gz PLXOHGUMBFMXHU-MRVPVSSYSA-N -1 3 396.329 3.310 20 0 GGADHM CC(C)c1noc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000820211504 606900574 /nfs/dbraw/zinc/90/05/74/606900574.db2.gz PLXOHGUMBFMXHU-MRVPVSSYSA-N -1 3 396.329 3.310 20 0 GGADHM Cc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)s1 ZINC000822225126 606901218 /nfs/dbraw/zinc/90/12/18/606901218.db2.gz PJLVQOWLCDCDAZ-UHFFFAOYSA-N -1 3 396.350 3.295 20 0 GGADHM Cc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)s1 ZINC000822225126 606901220 /nfs/dbraw/zinc/90/12/20/606901220.db2.gz PJLVQOWLCDCDAZ-UHFFFAOYSA-N -1 3 396.350 3.295 20 0 GGADHM C[C@H]1CN(CCCOc2cccc(-c3nn[n-]n3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000820759194 606902881 /nfs/dbraw/zinc/90/28/81/606902881.db2.gz ITATWCJRZDJWHG-MGPUTAFESA-N -1 3 397.454 3.237 20 0 GGADHM CCc1nnc(NCc2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1CC ZINC000821542261 606909761 /nfs/dbraw/zinc/90/97/61/606909761.db2.gz MTLAHQNHTSSBKP-UHFFFAOYSA-N -1 3 377.374 3.412 20 0 GGADHM CCc1nnc(NCc2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1CC ZINC000821542261 606909763 /nfs/dbraw/zinc/90/97/63/606909763.db2.gz MTLAHQNHTSSBKP-UHFFFAOYSA-N -1 3 377.374 3.412 20 0 GGADHM CCc1nnc(Sc2ccc3c(c2)OCCCO3)c(-c2nnn[n-]2)c1CC ZINC000821547734 606909902 /nfs/dbraw/zinc/90/99/02/606909902.db2.gz AYSBWCDCUSBVPG-UHFFFAOYSA-N -1 3 384.465 3.094 20 0 GGADHM CCc1nnc(Sc2ccc3c(c2)OCCCO3)c(-c2nn[n-]n2)c1CC ZINC000821547734 606909903 /nfs/dbraw/zinc/90/99/03/606909903.db2.gz AYSBWCDCUSBVPG-UHFFFAOYSA-N -1 3 384.465 3.094 20 0 GGADHM CCCOc1ccc(CNc2nnc(CC)c(CC)c2-c2nnn[n-]2)cc1OC ZINC000821134058 606910695 /nfs/dbraw/zinc/91/06/95/606910695.db2.gz MFQYTJUTNRIWFL-UHFFFAOYSA-N -1 3 397.483 3.191 20 0 GGADHM CCCOc1ccc(CNc2nnc(CC)c(CC)c2-c2nn[n-]n2)cc1OC ZINC000821134058 606910696 /nfs/dbraw/zinc/91/06/96/606910696.db2.gz MFQYTJUTNRIWFL-UHFFFAOYSA-N -1 3 397.483 3.191 20 0 GGADHM COc1ccc2c(c1)CN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000821849257 606911828 /nfs/dbraw/zinc/91/18/28/606911828.db2.gz AWVIAWUZTCNHSI-UHFFFAOYSA-N -1 3 375.354 3.457 20 0 GGADHM COc1ccc2c(c1)CN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000821849257 606911829 /nfs/dbraw/zinc/91/18/29/606911829.db2.gz AWVIAWUZTCNHSI-UHFFFAOYSA-N -1 3 375.354 3.457 20 0 GGADHM CCc1nnc(N2CC=C(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821523275 606916889 /nfs/dbraw/zinc/91/68/89/606916889.db2.gz TWIAPTAKMFGNAJ-UHFFFAOYSA-N -1 3 379.443 3.214 20 0 GGADHM CCc1nnc(N2CC=C(c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821523275 606916891 /nfs/dbraw/zinc/91/68/91/606916891.db2.gz TWIAPTAKMFGNAJ-UHFFFAOYSA-N -1 3 379.443 3.214 20 0 GGADHM CCc1nnc(Nc2cccc(OC[C@H]3CCCO3)c2)c(-c2nnn[n-]2)c1CC ZINC000821548744 606919733 /nfs/dbraw/zinc/91/97/33/606919733.db2.gz WMVZRBMHCPSLDH-OAHLLOKOSA-N -1 3 395.467 3.083 20 0 GGADHM CCc1nnc(Nc2cccc(OC[C@H]3CCCO3)c2)c(-c2nn[n-]n2)c1CC ZINC000821548744 606919735 /nfs/dbraw/zinc/91/97/35/606919735.db2.gz WMVZRBMHCPSLDH-OAHLLOKOSA-N -1 3 395.467 3.083 20 0 GGADHM CCc1nnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c1CC ZINC000821536684 606924603 /nfs/dbraw/zinc/92/46/03/606924603.db2.gz XKXJPBNJEVPKHU-HNAYVOBHSA-N -1 3 393.495 3.361 20 0 GGADHM CCc1nnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1CC ZINC000821536684 606924605 /nfs/dbraw/zinc/92/46/05/606924605.db2.gz XKXJPBNJEVPKHU-HNAYVOBHSA-N -1 3 393.495 3.361 20 0 GGADHM O=C(NCc1ccco1)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823261151 606927031 /nfs/dbraw/zinc/92/70/31/606927031.db2.gz CVHYMSQCMVCVGY-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM O=C(NCc1ccco1)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823261151 606927033 /nfs/dbraw/zinc/92/70/33/606927033.db2.gz CVHYMSQCMVCVGY-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM CCCC(=O)NC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821009474 606928633 /nfs/dbraw/zinc/92/86/33/606928633.db2.gz SINIYOGHHHTYSP-LBPRGKRZSA-N -1 3 396.417 3.018 20 0 GGADHM CCCC(=O)NC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821009474 606928635 /nfs/dbraw/zinc/92/86/35/606928635.db2.gz SINIYOGHHHTYSP-LBPRGKRZSA-N -1 3 396.417 3.018 20 0 GGADHM COc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1Br ZINC000821723852 606931147 /nfs/dbraw/zinc/93/11/47/606931147.db2.gz KKPWBAINELDXNU-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1Br ZINC000821723852 606931148 /nfs/dbraw/zinc/93/11/48/606931148.db2.gz KKPWBAINELDXNU-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM C[C@H](NC(=O)NCc1csc(-c2ccco2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374126 606931622 /nfs/dbraw/zinc/93/16/22/606931622.db2.gz MKVGKFPSEOSSDV-NSHDSACASA-N -1 3 395.448 3.144 20 0 GGADHM C[C@H](NC(=O)NCc1csc(-c2ccco2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374126 606931623 /nfs/dbraw/zinc/93/16/23/606931623.db2.gz MKVGKFPSEOSSDV-NSHDSACASA-N -1 3 395.448 3.144 20 0 GGADHM COc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000821799055 606932908 /nfs/dbraw/zinc/93/29/08/606932908.db2.gz YQAOWKJTUAJOTJ-UHFFFAOYSA-N -1 3 392.847 3.154 20 0 GGADHM COc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000821799055 606932909 /nfs/dbraw/zinc/93/29/09/606932909.db2.gz YQAOWKJTUAJOTJ-UHFFFAOYSA-N -1 3 392.847 3.154 20 0 GGADHM CC(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000820142833 606935581 /nfs/dbraw/zinc/93/55/81/606935581.db2.gz YAFWJOGZQFGKOW-UHFFFAOYSA-N -1 3 398.389 3.307 20 0 GGADHM CC(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000820142833 606935583 /nfs/dbraw/zinc/93/55/83/606935583.db2.gz YAFWJOGZQFGKOW-UHFFFAOYSA-N -1 3 398.389 3.307 20 0 GGADHM CCc1nnc(Nc2ccc(-c3nccc(C)n3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548628 606935886 /nfs/dbraw/zinc/93/58/86/606935886.db2.gz RGFLXEYYCRMIBB-UHFFFAOYSA-N -1 3 387.451 3.291 20 0 GGADHM CCc1nnc(Nc2ccc(-c3nccc(C)n3)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548628 606935887 /nfs/dbraw/zinc/93/58/87/606935887.db2.gz RGFLXEYYCRMIBB-UHFFFAOYSA-N -1 3 387.451 3.291 20 0 GGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820542521 606941649 /nfs/dbraw/zinc/94/16/49/606941649.db2.gz OTBZJADTKQTCEP-YWZLYKJASA-N -1 3 391.475 3.416 20 0 GGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820542521 606941650 /nfs/dbraw/zinc/94/16/50/606941650.db2.gz OTBZJADTKQTCEP-YWZLYKJASA-N -1 3 391.475 3.416 20 0 GGADHM COC(=O)c1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000821669912 606944440 /nfs/dbraw/zinc/94/44/40/606944440.db2.gz DRDWQINETPUSRA-UHFFFAOYSA-N -1 3 377.326 3.284 20 0 GGADHM COC(=O)c1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000821669912 606944441 /nfs/dbraw/zinc/94/44/41/606944441.db2.gz DRDWQINETPUSRA-UHFFFAOYSA-N -1 3 377.326 3.284 20 0 GGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000819949968 606945868 /nfs/dbraw/zinc/94/58/68/606945868.db2.gz DRYXNEFNEMNQRP-UHFFFAOYSA-N -1 3 384.415 3.149 20 0 GGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000819949968 606945870 /nfs/dbraw/zinc/94/58/70/606945870.db2.gz DRYXNEFNEMNQRP-UHFFFAOYSA-N -1 3 384.415 3.149 20 0 GGADHM COc1ccccc1[C@H](C)CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821882466 606948468 /nfs/dbraw/zinc/94/84/68/606948468.db2.gz BPZDYNAIMUPSBU-OAHLLOKOSA-N -1 3 396.447 3.381 20 0 GGADHM COc1ccccc1[C@H](C)CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821882466 606948470 /nfs/dbraw/zinc/94/84/70/606948470.db2.gz BPZDYNAIMUPSBU-OAHLLOKOSA-N -1 3 396.447 3.381 20 0 GGADHM CC(C)(C)c1ncsc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819971614 606949399 /nfs/dbraw/zinc/94/93/99/606949399.db2.gz OKATUGFCYFKHCJ-UHFFFAOYSA-N -1 3 387.465 3.247 20 0 GGADHM CC(C)(C)c1ncsc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819971614 606949400 /nfs/dbraw/zinc/94/94/00/606949400.db2.gz OKATUGFCYFKHCJ-UHFFFAOYSA-N -1 3 387.465 3.247 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1 ZINC000823406008 606949680 /nfs/dbraw/zinc/94/96/80/606949680.db2.gz ZMYBOPDZBBLSRC-UHFFFAOYSA-N -1 3 391.387 3.148 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1 ZINC000823406008 606949682 /nfs/dbraw/zinc/94/96/82/606949682.db2.gz ZMYBOPDZBBLSRC-UHFFFAOYSA-N -1 3 391.387 3.148 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820384493 606950288 /nfs/dbraw/zinc/95/02/88/606950288.db2.gz GMQCPAVKYWCGDA-QWHCGFSZSA-N -1 3 390.463 3.135 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820384493 606950290 /nfs/dbraw/zinc/95/02/90/606950290.db2.gz GMQCPAVKYWCGDA-QWHCGFSZSA-N -1 3 390.463 3.135 20 0 GGADHM O=C(Cc1c[nH]c2ccc(F)cc12)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823073793 606950712 /nfs/dbraw/zinc/95/07/12/606950712.db2.gz CYJXDCTWYQBWBA-UHFFFAOYSA-N -1 3 395.394 3.042 20 0 GGADHM O=C(Cc1c[nH]c2ccc(F)cc12)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823073793 606950713 /nfs/dbraw/zinc/95/07/13/606950713.db2.gz CYJXDCTWYQBWBA-UHFFFAOYSA-N -1 3 395.394 3.042 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc2cnccc21 ZINC000823405807 606950956 /nfs/dbraw/zinc/95/09/56/606950956.db2.gz VRKIFPBVGLLWIZ-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc2cnccc21 ZINC000823405807 606950958 /nfs/dbraw/zinc/95/09/58/606950958.db2.gz VRKIFPBVGLLWIZ-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820932295 606951164 /nfs/dbraw/zinc/95/11/64/606951164.db2.gz MSDYVZDGCVAWCT-MRXNPFEDSA-N -1 3 384.823 3.267 20 0 GGADHM CC[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820932295 606951165 /nfs/dbraw/zinc/95/11/65/606951165.db2.gz MSDYVZDGCVAWCT-MRXNPFEDSA-N -1 3 384.823 3.267 20 0 GGADHM CC[C@H](O)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000820931340 606952564 /nfs/dbraw/zinc/95/25/64/606952564.db2.gz FHIRLOABMNKSGX-HNNXBMFYSA-N -1 3 396.451 3.250 20 0 GGADHM CC[C@H](O)CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000820931340 606952566 /nfs/dbraw/zinc/95/25/66/606952566.db2.gz FHIRLOABMNKSGX-HNNXBMFYSA-N -1 3 396.451 3.250 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(-c3nnn[n-]3)ccc1OC(C)C)CO2 ZINC000822274552 606953133 /nfs/dbraw/zinc/95/31/33/606953133.db2.gz AVNLQYACGSYFOT-INIZCTEOSA-N -1 3 394.435 3.218 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(-c3nn[n-]n3)ccc1OC(C)C)CO2 ZINC000822274552 606953135 /nfs/dbraw/zinc/95/31/35/606953135.db2.gz AVNLQYACGSYFOT-INIZCTEOSA-N -1 3 394.435 3.218 20 0 GGADHM CO[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000821677514 606953404 /nfs/dbraw/zinc/95/34/04/606953404.db2.gz YROBSWMXQVUCNM-OAHLLOKOSA-N -1 3 390.806 3.168 20 0 GGADHM CO[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000821677514 606953405 /nfs/dbraw/zinc/95/34/05/606953405.db2.gz YROBSWMXQVUCNM-OAHLLOKOSA-N -1 3 390.806 3.168 20 0 GGADHM C[C@H](OC(=O)c1ccc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820511929 606953598 /nfs/dbraw/zinc/95/35/98/606953598.db2.gz FRWJSYVSOPSKLH-NSHDSACASA-N -1 3 399.476 3.410 20 0 GGADHM C[C@H](OC(=O)c1ccc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820511929 606953600 /nfs/dbraw/zinc/95/36/00/606953600.db2.gz FRWJSYVSOPSKLH-NSHDSACASA-N -1 3 399.476 3.410 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000820542859 606953717 /nfs/dbraw/zinc/95/37/17/606953717.db2.gz RPIHNTVBNZFJTI-CYBMUJFWSA-N -1 3 395.467 3.054 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000820542859 606953719 /nfs/dbraw/zinc/95/37/19/606953719.db2.gz RPIHNTVBNZFJTI-CYBMUJFWSA-N -1 3 395.467 3.054 20 0 GGADHM O=C(COC/C=C/c1ccccc1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823032563 606956016 /nfs/dbraw/zinc/95/60/16/606956016.db2.gz ZGJAUHAPGWKCKE-RMKNXTFCSA-N -1 3 395.488 3.476 20 0 GGADHM O=C(COC/C=C/c1ccccc1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823032563 606956018 /nfs/dbraw/zinc/95/60/18/606956018.db2.gz ZGJAUHAPGWKCKE-RMKNXTFCSA-N -1 3 395.488 3.476 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823343663 606956306 /nfs/dbraw/zinc/95/63/06/606956306.db2.gz DBBFXTFHEKIGDX-OAHLLOKOSA-N -1 3 381.415 3.114 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823343663 606956307 /nfs/dbraw/zinc/95/63/07/606956307.db2.gz DBBFXTFHEKIGDX-OAHLLOKOSA-N -1 3 381.415 3.114 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820102560 606957301 /nfs/dbraw/zinc/95/73/01/606957301.db2.gz BMGFDTZXYITWOU-OAHLLOKOSA-N -1 3 394.479 3.462 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820102560 606957302 /nfs/dbraw/zinc/95/73/02/606957302.db2.gz BMGFDTZXYITWOU-OAHLLOKOSA-N -1 3 394.479 3.462 20 0 GGADHM Cc1coc(-c2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc2C)n1 ZINC000822403123 606957693 /nfs/dbraw/zinc/95/76/93/606957693.db2.gz LHHIZNCTGBVZDK-UHFFFAOYSA-N -1 3 389.419 3.460 20 0 GGADHM Cc1coc(-c2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc2C)n1 ZINC000822403123 606957695 /nfs/dbraw/zinc/95/76/95/606957695.db2.gz LHHIZNCTGBVZDK-UHFFFAOYSA-N -1 3 389.419 3.460 20 0 GGADHM CN(C(=O)c1ccc(C(F)(F)F)cn1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573616 606959092 /nfs/dbraw/zinc/95/90/92/606959092.db2.gz XRPAQSIETMYQCB-UHFFFAOYSA-N -1 3 382.733 3.211 20 0 GGADHM CN(C(=O)c1ccc(C(F)(F)F)cn1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573616 606959094 /nfs/dbraw/zinc/95/90/94/606959094.db2.gz XRPAQSIETMYQCB-UHFFFAOYSA-N -1 3 382.733 3.211 20 0 GGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1OC ZINC000821786637 606959754 /nfs/dbraw/zinc/95/97/54/606959754.db2.gz HEUHAVOHLQCUEQ-WEVVVXLNSA-N -1 3 399.838 3.214 20 0 GGADHM COc1ccc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1OC ZINC000821786637 606959755 /nfs/dbraw/zinc/95/97/55/606959755.db2.gz HEUHAVOHLQCUEQ-WEVVVXLNSA-N -1 3 399.838 3.214 20 0 GGADHM CN(C(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573658 606961674 /nfs/dbraw/zinc/96/16/74/606961674.db2.gz YZRRXMJLEYMUEL-UHFFFAOYSA-N -1 3 398.785 3.190 20 0 GGADHM CN(C(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573658 606961675 /nfs/dbraw/zinc/96/16/75/606961675.db2.gz YZRRXMJLEYMUEL-UHFFFAOYSA-N -1 3 398.785 3.190 20 0 GGADHM CN(C(=O)CCc1cccc(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569896 606962945 /nfs/dbraw/zinc/96/29/45/606962945.db2.gz ZTQWBEHPEUEQMI-UHFFFAOYSA-N -1 3 377.782 3.394 20 0 GGADHM CN(C(=O)CCc1cccc(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569896 606962948 /nfs/dbraw/zinc/96/29/48/606962948.db2.gz ZTQWBEHPEUEQMI-UHFFFAOYSA-N -1 3 377.782 3.394 20 0 GGADHM CN(C(=O)c1coc(-c2ccccc2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574436 606963684 /nfs/dbraw/zinc/96/36/84/606963684.db2.gz GSDCVIHOUCCDEY-UHFFFAOYSA-N -1 3 380.795 3.452 20 0 GGADHM CN(C(=O)c1coc(-c2ccccc2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574436 606963685 /nfs/dbraw/zinc/96/36/85/606963685.db2.gz GSDCVIHOUCCDEY-UHFFFAOYSA-N -1 3 380.795 3.452 20 0 GGADHM CN(C(=O)C1=NO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569790 606964752 /nfs/dbraw/zinc/96/47/52/606964752.db2.gz VXZXFNZIYZZGKW-MRXNPFEDSA-N -1 3 382.811 3.001 20 0 GGADHM CN(C(=O)C1=NO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569790 606964753 /nfs/dbraw/zinc/96/47/53/606964753.db2.gz VXZXFNZIYZZGKW-MRXNPFEDSA-N -1 3 382.811 3.001 20 0 GGADHM CN(C(=O)[C@@H]1C[C@@]12CCOc1ccccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569201 606965012 /nfs/dbraw/zinc/96/50/12/606965012.db2.gz BQPRNOTUKPWDBM-MGPUTAFESA-N -1 3 395.850 3.223 20 0 GGADHM CN(C(=O)[C@@H]1C[C@@]12CCOc1ccccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569201 606965014 /nfs/dbraw/zinc/96/50/14/606965014.db2.gz BQPRNOTUKPWDBM-MGPUTAFESA-N -1 3 395.850 3.223 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351179 606967530 /nfs/dbraw/zinc/96/75/30/606967530.db2.gz MVRNXNNAYPILMH-KXBFYZLASA-N -1 3 391.479 3.214 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351179 606967531 /nfs/dbraw/zinc/96/75/31/606967531.db2.gz MVRNXNNAYPILMH-KXBFYZLASA-N -1 3 391.479 3.214 20 0 GGADHM Fc1ccc(CN2CCc3cccc(Br)c3C2)cc1-c1nnn[n-]1 ZINC000822771211 606975539 /nfs/dbraw/zinc/97/55/39/606975539.db2.gz FEJXWPFFYRZXEX-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1ccc(CN2CCc3cccc(Br)c3C2)cc1-c1nn[n-]n1 ZINC000822771211 606975540 /nfs/dbraw/zinc/97/55/40/606975540.db2.gz FEJXWPFFYRZXEX-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(c2ccccc2)CCC1 ZINC000819996874 606986549 /nfs/dbraw/zinc/98/65/49/606986549.db2.gz LUNPTRAKDHDOPQ-UHFFFAOYSA-N -1 3 391.475 3.262 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2ccccc2)CCC1 ZINC000819996874 606986551 /nfs/dbraw/zinc/98/65/51/606986551.db2.gz LUNPTRAKDHDOPQ-UHFFFAOYSA-N -1 3 391.475 3.262 20 0 GGADHM CCOc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417568 606987052 /nfs/dbraw/zinc/98/70/52/606987052.db2.gz OVXXVIRZFGJVQX-AWEZNQCLSA-N -1 3 395.463 3.300 20 0 GGADHM CCOc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417568 606987053 /nfs/dbraw/zinc/98/70/53/606987053.db2.gz OVXXVIRZFGJVQX-AWEZNQCLSA-N -1 3 395.463 3.300 20 0 GGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822207015 606987310 /nfs/dbraw/zinc/98/73/10/606987310.db2.gz IDLOINGAPLMTQC-AWEZNQCLSA-N -1 3 379.468 3.145 20 0 GGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822207015 606987311 /nfs/dbraw/zinc/98/73/11/606987311.db2.gz IDLOINGAPLMTQC-AWEZNQCLSA-N -1 3 379.468 3.145 20 0 GGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000822206892 606987468 /nfs/dbraw/zinc/98/74/68/606987468.db2.gz CBRMUKVAUXVOCY-AWEZNQCLSA-N -1 3 377.452 3.201 20 0 GGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000822206892 606987469 /nfs/dbraw/zinc/98/74/69/606987469.db2.gz CBRMUKVAUXVOCY-AWEZNQCLSA-N -1 3 377.452 3.201 20 0 GGADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)[C@@H]1CCCCO1 ZINC000819981044 606988702 /nfs/dbraw/zinc/98/87/02/606988702.db2.gz LDOULRHIQVJMOX-SFHVURJKSA-N -1 3 398.511 3.136 20 0 GGADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)[C@@H]1CCCCO1 ZINC000819981044 606988703 /nfs/dbraw/zinc/98/87/03/606988703.db2.gz LDOULRHIQVJMOX-SFHVURJKSA-N -1 3 398.511 3.136 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822927779 606990595 /nfs/dbraw/zinc/99/05/95/606990595.db2.gz AIRREEKFZLTXDS-CSKARUKUSA-N -1 3 375.363 3.311 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822927779 606990597 /nfs/dbraw/zinc/99/05/97/606990597.db2.gz AIRREEKFZLTXDS-CSKARUKUSA-N -1 3 375.363 3.311 20 0 GGADHM O[C@H](CN1CCc2c(Cl)cc(Cl)cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681257 606991047 /nfs/dbraw/zinc/99/10/47/606991047.db2.gz CITSIOQJDJRLSV-QGZVFWFLSA-N -1 3 390.274 3.265 20 0 GGADHM Cc1ccc(OCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000481786491 606991250 /nfs/dbraw/zinc/99/12/50/606991250.db2.gz VXKAPIWHPHJOTG-UHFFFAOYSA-N -1 3 385.855 3.304 20 0 GGADHM Cc1ccc(OCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000481786491 606991251 /nfs/dbraw/zinc/99/12/51/606991251.db2.gz VXKAPIWHPHJOTG-UHFFFAOYSA-N -1 3 385.855 3.304 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820535700 606991540 /nfs/dbraw/zinc/99/15/40/606991540.db2.gz QHHQNNUPKFGKOW-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820535700 606991541 /nfs/dbraw/zinc/99/15/41/606991541.db2.gz QHHQNNUPKFGKOW-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM Cc1cc(OCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc(C)c1Cl ZINC000822210828 606992445 /nfs/dbraw/zinc/99/24/45/606992445.db2.gz SMJAYVIWTRPKQT-UHFFFAOYSA-N -1 3 385.855 3.174 20 0 GGADHM Cc1cc(OCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc(C)c1Cl ZINC000822210828 606992446 /nfs/dbraw/zinc/99/24/46/606992446.db2.gz SMJAYVIWTRPKQT-UHFFFAOYSA-N -1 3 385.855 3.174 20 0 GGADHM Cc1ccc(OCCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822263067 606993980 /nfs/dbraw/zinc/99/39/80/606993980.db2.gz ISKCBFOQLGVPJB-UHFFFAOYSA-N -1 3 379.464 3.301 20 0 GGADHM Cc1ccc(OCCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822263067 606993982 /nfs/dbraw/zinc/99/39/82/606993982.db2.gz ISKCBFOQLGVPJB-UHFFFAOYSA-N -1 3 379.464 3.301 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(Cc2ccccc2)n1 ZINC000823426914 606996073 /nfs/dbraw/zinc/99/60/73/606996073.db2.gz QNZPGVWIFBFHTP-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(Cc2ccccc2)n1 ZINC000823426914 606996075 /nfs/dbraw/zinc/99/60/75/606996075.db2.gz QNZPGVWIFBFHTP-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000823426200 606996470 /nfs/dbraw/zinc/99/64/70/606996470.db2.gz CPDUYWUNWRKRRV-UHFFFAOYSA-N -1 3 391.362 3.130 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000823426200 606996471 /nfs/dbraw/zinc/99/64/71/606996471.db2.gz CPDUYWUNWRKRRV-UHFFFAOYSA-N -1 3 391.362 3.130 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000823426626 606997955 /nfs/dbraw/zinc/99/79/55/606997955.db2.gz MISVFBJVHJSWNW-UHFFFAOYSA-N -1 3 398.785 3.202 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000823426626 606997956 /nfs/dbraw/zinc/99/79/56/606997956.db2.gz MISVFBJVHJSWNW-UHFFFAOYSA-N -1 3 398.785 3.202 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823115118 606999073 /nfs/dbraw/zinc/99/90/73/606999073.db2.gz JZSGZDZXDKSDDZ-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823115118 606999075 /nfs/dbraw/zinc/99/90/75/606999075.db2.gz JZSGZDZXDKSDDZ-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820535676 606999486 /nfs/dbraw/zinc/99/94/86/606999486.db2.gz PVYNSNIQAIGLJW-SECBINFHSA-N -1 3 394.765 3.309 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820535676 606999487 /nfs/dbraw/zinc/99/94/87/606999487.db2.gz PVYNSNIQAIGLJW-SECBINFHSA-N -1 3 394.765 3.309 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000819996493 607000056 /nfs/dbraw/zinc/00/00/56/607000056.db2.gz FKPHWWPPJCJVGC-QGZVFWFLSA-N -1 3 397.866 3.481 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000819996493 607000059 /nfs/dbraw/zinc/00/00/59/607000059.db2.gz FKPHWWPPJCJVGC-QGZVFWFLSA-N -1 3 397.866 3.481 20 0 GGADHM CCN(C(=O)c1cncc(OC(C)C)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821161525 607000991 /nfs/dbraw/zinc/00/09/91/607000991.db2.gz ZCLPFZYYYJIDIK-AWEZNQCLSA-N -1 3 380.452 3.272 20 0 GGADHM CCN(C(=O)c1cncc(OC(C)C)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821161525 607000993 /nfs/dbraw/zinc/00/09/93/607000993.db2.gz ZCLPFZYYYJIDIK-AWEZNQCLSA-N -1 3 380.452 3.272 20 0 GGADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820225157 607001118 /nfs/dbraw/zinc/00/11/18/607001118.db2.gz CAUXRVQHQUSRPX-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820225157 607001120 /nfs/dbraw/zinc/00/11/20/607001120.db2.gz CAUXRVQHQUSRPX-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822419800 607003768 /nfs/dbraw/zinc/00/37/68/607003768.db2.gz WMGXJGPWSLIPRV-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822419800 607003770 /nfs/dbraw/zinc/00/37/70/607003770.db2.gz WMGXJGPWSLIPRV-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Fc1cc(F)c2c(c1)CN(Cn1ccc(-c3ccc(-c4nnn[n-]4)cc3)n1)CC2 ZINC000822753643 607004521 /nfs/dbraw/zinc/00/45/21/607004521.db2.gz QVZLXOLFORLAHP-UHFFFAOYSA-N -1 3 393.401 3.024 20 0 GGADHM Fc1cc(F)c2c(c1)CN(Cn1ccc(-c3ccc(-c4nn[n-]n4)cc3)n1)CC2 ZINC000822753643 607004522 /nfs/dbraw/zinc/00/45/22/607004522.db2.gz QVZLXOLFORLAHP-UHFFFAOYSA-N -1 3 393.401 3.024 20 0 GGADHM C[C@@H](c1ccccc1)n1cnnc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820571047 607008093 /nfs/dbraw/zinc/00/80/93/607008093.db2.gz UZIWDHMHLNVLHZ-LBPRGKRZSA-N -1 3 381.440 3.499 20 0 GGADHM C[C@@H](c1ccccc1)n1cnnc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820571047 607008094 /nfs/dbraw/zinc/00/80/94/607008094.db2.gz UZIWDHMHLNVLHZ-LBPRGKRZSA-N -1 3 381.440 3.499 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192251 607009752 /nfs/dbraw/zinc/00/97/52/607009752.db2.gz HEDGVAMSWBGBKD-UHFFFAOYSA-N -1 3 397.504 3.277 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192251 607009754 /nfs/dbraw/zinc/00/97/54/607009754.db2.gz HEDGVAMSWBGBKD-UHFFFAOYSA-N -1 3 397.504 3.277 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000823309317 607010092 /nfs/dbraw/zinc/01/00/92/607010092.db2.gz WWIWNSSIMBEYNW-CQSZACIVSA-N -1 3 376.342 3.162 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000823309317 607010093 /nfs/dbraw/zinc/01/00/93/607010093.db2.gz WWIWNSSIMBEYNW-CQSZACIVSA-N -1 3 376.342 3.162 20 0 GGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1cnc(N2CCCCC2)s1 ZINC000823070542 607012732 /nfs/dbraw/zinc/01/27/32/607012732.db2.gz DKAMOIILEAQOJB-UHFFFAOYSA-N -1 3 386.506 3.289 20 0 GGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1cnc(N2CCCCC2)s1 ZINC000823070542 607012733 /nfs/dbraw/zinc/01/27/33/607012733.db2.gz DKAMOIILEAQOJB-UHFFFAOYSA-N -1 3 386.506 3.289 20 0 GGADHM CCC(=O)N1CCc2cc(C(=O)CSc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000820836606 607015057 /nfs/dbraw/zinc/01/50/57/607015057.db2.gz COUHPVZGAOEZIF-UHFFFAOYSA-N -1 3 393.472 3.141 20 0 GGADHM CCC(=O)N1CCc2cc(C(=O)CSc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000820836606 607015059 /nfs/dbraw/zinc/01/50/59/607015059.db2.gz COUHPVZGAOEZIF-UHFFFAOYSA-N -1 3 393.472 3.141 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000822505750 607020399 /nfs/dbraw/zinc/02/03/99/607020399.db2.gz URNBYSBIGBQHBN-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000822505750 607020401 /nfs/dbraw/zinc/02/04/01/607020401.db2.gz URNBYSBIGBQHBN-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM CC(C)[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc(-c2ccncc2)no1 ZINC000820028286 607027000 /nfs/dbraw/zinc/02/70/00/607027000.db2.gz YFAGCYAPSVFWOZ-CYBMUJFWSA-N -1 3 397.830 3.169 20 0 GGADHM CC(C)[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc(-c2ccncc2)no1 ZINC000820028286 607027002 /nfs/dbraw/zinc/02/70/02/607027002.db2.gz YFAGCYAPSVFWOZ-CYBMUJFWSA-N -1 3 397.830 3.169 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000822207281 607028924 /nfs/dbraw/zinc/02/89/24/607028924.db2.gz QJRRXUDFXCVUAF-UHFFFAOYSA-N -1 3 392.463 3.101 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000822207281 607028926 /nfs/dbraw/zinc/02/89/26/607028926.db2.gz QJRRXUDFXCVUAF-UHFFFAOYSA-N -1 3 392.463 3.101 20 0 GGADHM CC(C)CCc1noc(COc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000820081338 607030626 /nfs/dbraw/zinc/03/06/26/607030626.db2.gz CPBRWLVFNGOKSY-UHFFFAOYSA-N -1 3 393.245 3.180 20 0 GGADHM CC(C)CCc1noc(COc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000820081338 607030627 /nfs/dbraw/zinc/03/06/27/607030627.db2.gz CPBRWLVFNGOKSY-UHFFFAOYSA-N -1 3 393.245 3.180 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000821310093 607032521 /nfs/dbraw/zinc/03/25/21/607032521.db2.gz WOKNMVOYGCVASZ-UHFFFAOYSA-N -1 3 396.476 3.028 20 0 GGADHM c1nn(-c2ccccc2)cc1CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823771642 607033855 /nfs/dbraw/zinc/03/38/55/607033855.db2.gz BFDXRCAJRNBCOR-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM c1nn(-c2ccccc2)cc1CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823771642 607033857 /nfs/dbraw/zinc/03/38/57/607033857.db2.gz BFDXRCAJRNBCOR-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820821005 607036385 /nfs/dbraw/zinc/03/63/85/607036385.db2.gz QVRLHMCQZOWGFE-MRVPVSSYSA-N -1 3 377.235 3.261 20 0 GGADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820821005 607036386 /nfs/dbraw/zinc/03/63/86/607036386.db2.gz QVRLHMCQZOWGFE-MRVPVSSYSA-N -1 3 377.235 3.261 20 0 GGADHM c1ccc(-n2c(Sc3ccc(-c4nnn[n-]4)cn3)nnc2-c2ccccn2)cc1 ZINC000823773105 607037693 /nfs/dbraw/zinc/03/76/93/607037693.db2.gz PAPRTHYIYCAMIP-UHFFFAOYSA-N -1 3 399.443 3.056 20 0 GGADHM c1ccc(-n2c(Sc3ccc(-c4nn[n-]n4)cn3)nnc2-c2ccccn2)cc1 ZINC000823773105 607037694 /nfs/dbraw/zinc/03/76/94/607037694.db2.gz PAPRTHYIYCAMIP-UHFFFAOYSA-N -1 3 399.443 3.056 20 0 GGADHM Cc1nc(Cc2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)cs1 ZINC000822449611 607038151 /nfs/dbraw/zinc/03/81/51/607038151.db2.gz GUFXGCDRBZWUDX-UHFFFAOYSA-N -1 3 389.441 3.037 20 0 GGADHM Cc1nc(Cc2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)cs1 ZINC000822449611 607038153 /nfs/dbraw/zinc/03/81/53/607038153.db2.gz GUFXGCDRBZWUDX-UHFFFAOYSA-N -1 3 389.441 3.037 20 0 GGADHM CCN(C(=O)COc1cc(-c2nnn[n-]2)ccc1C)[C@@H](C)c1ccc(F)cc1 ZINC000821153937 607041379 /nfs/dbraw/zinc/04/13/79/607041379.db2.gz HRKQKWQQRROCLS-AWEZNQCLSA-N -1 3 383.427 3.303 20 0 GGADHM CCN(C(=O)COc1cc(-c2nn[n-]n2)ccc1C)[C@@H](C)c1ccc(F)cc1 ZINC000821153937 607041382 /nfs/dbraw/zinc/04/13/82/607041382.db2.gz HRKQKWQQRROCLS-AWEZNQCLSA-N -1 3 383.427 3.303 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N(Cc2ccco2)C[C@@H]2CCCO2)n1 ZINC000822723856 607042106 /nfs/dbraw/zinc/04/21/06/607042106.db2.gz RDFZJRREUSYDHT-LBPRGKRZSA-N -1 3 394.357 3.059 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N(Cc2ccco2)C[C@@H]2CCCO2)n1 ZINC000822723856 607042107 /nfs/dbraw/zinc/04/21/07/607042107.db2.gz RDFZJRREUSYDHT-LBPRGKRZSA-N -1 3 394.357 3.059 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000822221610 607042351 /nfs/dbraw/zinc/04/23/51/607042351.db2.gz WUVCRBWVVKVZCU-LBPRGKRZSA-N -1 3 387.390 3.052 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000822221610 607042352 /nfs/dbraw/zinc/04/23/52/607042352.db2.gz WUVCRBWVVKVZCU-LBPRGKRZSA-N -1 3 387.390 3.052 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccccn1 ZINC000821118298 607042783 /nfs/dbraw/zinc/04/27/83/607042783.db2.gz KXEZIUSSMSHRNI-UHFFFAOYSA-N -1 3 383.481 3.205 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(F)c1F ZINC000821123177 607043014 /nfs/dbraw/zinc/04/30/14/607043014.db2.gz MBLDHMQOEWNWJO-UHFFFAOYSA-N -1 3 376.342 3.358 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)n1 ZINC000821449748 607043168 /nfs/dbraw/zinc/04/31/68/607043168.db2.gz XFSUFWMUKIDWIA-LLVKDONJSA-N -1 3 396.480 3.248 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)n1 ZINC000821449748 607043169 /nfs/dbraw/zinc/04/31/69/607043169.db2.gz XFSUFWMUKIDWIA-LLVKDONJSA-N -1 3 396.480 3.248 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000819992100 607044299 /nfs/dbraw/zinc/04/42/99/607044299.db2.gz QIWATJYXQGWNLS-QGZVFWFLSA-N -1 3 391.475 3.115 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000819992100 607044301 /nfs/dbraw/zinc/04/43/01/607044301.db2.gz QIWATJYXQGWNLS-QGZVFWFLSA-N -1 3 391.475 3.115 20 0 GGADHM CC1(C)C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2O1 ZINC000820590625 607044652 /nfs/dbraw/zinc/04/46/52/607044652.db2.gz XHKGRIBNSVRDFV-INIZCTEOSA-N -1 3 396.426 3.107 20 0 GGADHM CC1(C)C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2O1 ZINC000820590625 607044654 /nfs/dbraw/zinc/04/46/54/607044654.db2.gz XHKGRIBNSVRDFV-INIZCTEOSA-N -1 3 396.426 3.107 20 0 GGADHM C[C@@H](O)C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000820474645 607046230 /nfs/dbraw/zinc/04/62/30/607046230.db2.gz UKSVYTLEHZIUIJ-DGCLKSJQSA-N -1 3 392.385 3.247 20 0 GGADHM C[C@@H](O)C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000820474645 607046231 /nfs/dbraw/zinc/04/62/31/607046231.db2.gz UKSVYTLEHZIUIJ-DGCLKSJQSA-N -1 3 392.385 3.247 20 0 GGADHM CC1(C)C[C@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2O1 ZINC000820590466 607047481 /nfs/dbraw/zinc/04/74/81/607047481.db2.gz UNEJIKQGAUQTPK-INIZCTEOSA-N -1 3 396.426 3.107 20 0 GGADHM CC1(C)C[C@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC000820590466 607047482 /nfs/dbraw/zinc/04/74/82/607047482.db2.gz UNEJIKQGAUQTPK-INIZCTEOSA-N -1 3 396.426 3.107 20 0 GGADHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822496218 607048288 /nfs/dbraw/zinc/04/82/88/607048288.db2.gz FOGZUUCZZRROAF-HNNXBMFYSA-N -1 3 377.374 3.269 20 0 GGADHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822496218 607048289 /nfs/dbraw/zinc/04/82/89/607048289.db2.gz FOGZUUCZZRROAF-HNNXBMFYSA-N -1 3 377.374 3.269 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820314094 607052413 /nfs/dbraw/zinc/05/24/13/607052413.db2.gz HRTQLKYQLCLEAD-GJZGRUSLSA-N -1 3 379.464 3.333 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820314094 607052415 /nfs/dbraw/zinc/05/24/15/607052415.db2.gz HRTQLKYQLCLEAD-GJZGRUSLSA-N -1 3 379.464 3.333 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000822758363 607062890 /nfs/dbraw/zinc/06/28/90/607062890.db2.gz MRDJUFNHTFHJPQ-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000822758363 607062892 /nfs/dbraw/zinc/06/28/92/607062892.db2.gz MRDJUFNHTFHJPQ-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC000821406428 607065944 /nfs/dbraw/zinc/06/59/44/607065944.db2.gz DPEQGBSOSGQPDX-QGZVFWFLSA-N -1 3 393.451 3.338 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC000821406428 607065947 /nfs/dbraw/zinc/06/59/47/607065947.db2.gz DPEQGBSOSGQPDX-QGZVFWFLSA-N -1 3 393.451 3.338 20 0 GGADHM Cc1cc(OCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)ccc1Cl ZINC000822210578 607072280 /nfs/dbraw/zinc/07/22/80/607072280.db2.gz IQVLCQAVGHPKQD-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1cc(OCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)ccc1Cl ZINC000822210578 607072281 /nfs/dbraw/zinc/07/22/81/607072281.db2.gz IQVLCQAVGHPKQD-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM O=C(CSc1ccc(F)c(F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823066246 607075972 /nfs/dbraw/zinc/07/59/72/607075972.db2.gz RPQZBEDMPBGAPS-UHFFFAOYSA-N -1 3 380.351 3.120 20 0 GGADHM O=C(CSc1ccc(F)c(F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823066246 607075973 /nfs/dbraw/zinc/07/59/73/607075973.db2.gz RPQZBEDMPBGAPS-UHFFFAOYSA-N -1 3 380.351 3.120 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823031894 607077859 /nfs/dbraw/zinc/07/78/59/607077859.db2.gz JCQTYSJIACEMIC-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823031894 607077861 /nfs/dbraw/zinc/07/78/61/607077861.db2.gz JCQTYSJIACEMIC-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(CCOc1ccc(Cl)cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822974645 607079688 /nfs/dbraw/zinc/07/96/88/607079688.db2.gz WFUXHRRQRCWLJK-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM O=C(CCOc1ccc(Cl)cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822974645 607079690 /nfs/dbraw/zinc/07/96/90/607079690.db2.gz WFUXHRRQRCWLJK-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000820480459 607082734 /nfs/dbraw/zinc/08/27/34/607082734.db2.gz KOEPHHZSDLKQKI-GFCCVEGCSA-N -1 3 392.419 3.205 20 0 GGADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819898864 607084088 /nfs/dbraw/zinc/08/40/88/607084088.db2.gz JKISMOBGWYDDQU-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819898864 607084090 /nfs/dbraw/zinc/08/40/90/607084090.db2.gz JKISMOBGWYDDQU-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822535361 607084176 /nfs/dbraw/zinc/08/41/76/607084176.db2.gz ONNARUDVROWVCT-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822535361 607084178 /nfs/dbraw/zinc/08/41/78/607084178.db2.gz ONNARUDVROWVCT-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1c([C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nnn1-c1ccc(C)cc1 ZINC000822225275 607084732 /nfs/dbraw/zinc/08/47/32/607084732.db2.gz WIQUYPUHHRPAKL-GJZGRUSLSA-N -1 3 388.479 3.476 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1SCCc2sccc21 ZINC000823413547 607086116 /nfs/dbraw/zinc/08/61/16/607086116.db2.gz JRGALCHVFOEKCW-CQSZACIVSA-N -1 3 376.438 3.141 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1SCCc2sccc21 ZINC000823413547 607086117 /nfs/dbraw/zinc/08/61/17/607086117.db2.gz JRGALCHVFOEKCW-CQSZACIVSA-N -1 3 376.438 3.141 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820913523 607087365 /nfs/dbraw/zinc/08/73/65/607087365.db2.gz ICLBAAZVWZJCMS-SFHVURJKSA-N -1 3 379.464 3.115 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820913523 607087367 /nfs/dbraw/zinc/08/73/67/607087367.db2.gz ICLBAAZVWZJCMS-SFHVURJKSA-N -1 3 379.464 3.115 20 0 GGADHM Cn1cc(CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c2ccccc21 ZINC000822680339 607088016 /nfs/dbraw/zinc/08/80/16/607088016.db2.gz LWXOJZMMPGENPZ-UHFFFAOYSA-N -1 3 379.395 3.174 20 0 GGADHM Cn1cc(CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c2ccccc21 ZINC000822680339 607088017 /nfs/dbraw/zinc/08/80/17/607088017.db2.gz LWXOJZMMPGENPZ-UHFFFAOYSA-N -1 3 379.395 3.174 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Oc1cccc(-c2nnn[n-]2)c1 ZINC000823562038 607099558 /nfs/dbraw/zinc/09/95/58/607099558.db2.gz MXJNDHSLVJGDNL-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Oc1cccc(-c2nn[n-]n2)c1 ZINC000823562038 607099559 /nfs/dbraw/zinc/09/95/59/607099559.db2.gz MXJNDHSLVJGDNL-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NOCC(F)(F)F)cc1 ZINC000822144029 607099672 /nfs/dbraw/zinc/09/96/72/607099672.db2.gz JDJFIZQSKAIEJY-UHFFFAOYSA-N -1 3 393.325 3.191 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NOCC(F)(F)F)cc1 ZINC000822144029 607099674 /nfs/dbraw/zinc/09/96/74/607099674.db2.gz JDJFIZQSKAIEJY-UHFFFAOYSA-N -1 3 393.325 3.191 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823346096 607100561 /nfs/dbraw/zinc/10/05/61/607100561.db2.gz IHKGZEUDSNNJQK-UHFFFAOYSA-N -1 3 375.367 3.397 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000821304495 607100863 /nfs/dbraw/zinc/10/08/63/607100863.db2.gz HSMHGXAGOPLYQV-UHFFFAOYSA-N -1 3 380.239 3.196 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOc1ccccc1C ZINC000821304481 607101842 /nfs/dbraw/zinc/10/18/42/607101842.db2.gz HDFNHTNYJHESAK-UHFFFAOYSA-N -1 3 380.452 3.405 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000821309025 607102392 /nfs/dbraw/zinc/10/23/92/607102392.db2.gz JJNLCAIUPAEDPQ-UHFFFAOYSA-N -1 3 381.421 3.267 20 0 GGADHM C[C@]1(c2ccccc2)CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000820634770 607115217 /nfs/dbraw/zinc/11/52/17/607115217.db2.gz JHIPIYXIDRTAFA-QGZVFWFLSA-N -1 3 390.369 3.033 20 0 GGADHM C[C@]1(c2ccccc2)CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000820634770 607115218 /nfs/dbraw/zinc/11/52/18/607115218.db2.gz JHIPIYXIDRTAFA-QGZVFWFLSA-N -1 3 390.369 3.033 20 0 GGADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H](c2ccsc2)O1 ZINC000820768857 607115849 /nfs/dbraw/zinc/11/58/49/607115849.db2.gz QJHBXXOWFQXKSI-PXAZEXFGSA-N -1 3 378.461 3.443 20 0 GGADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H](c2ccsc2)O1 ZINC000820768857 607115851 /nfs/dbraw/zinc/11/58/51/607115851.db2.gz QJHBXXOWFQXKSI-PXAZEXFGSA-N -1 3 378.461 3.443 20 0 GGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820776682 607116330 /nfs/dbraw/zinc/11/63/30/607116330.db2.gz MGZFPIYTTQNYEO-SKDRFNHKSA-N -1 3 396.398 3.308 20 0 GGADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820776682 607116331 /nfs/dbraw/zinc/11/63/31/607116331.db2.gz MGZFPIYTTQNYEO-SKDRFNHKSA-N -1 3 396.398 3.308 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@](C)(c2ccccc2)C1 ZINC000822335845 607116634 /nfs/dbraw/zinc/11/66/34/607116634.db2.gz MTADKIKWDYWORF-JOCHJYFZSA-N -1 3 386.459 3.475 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@](C)(c2ccccc2)C1 ZINC000822335845 607116635 /nfs/dbraw/zinc/11/66/35/607116635.db2.gz MTADKIKWDYWORF-JOCHJYFZSA-N -1 3 386.459 3.475 20 0 GGADHM CCCc1nc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821143065 607119564 /nfs/dbraw/zinc/11/95/64/607119564.db2.gz QDBQVNUAHNYEQW-UHFFFAOYSA-N -1 3 387.465 3.177 20 0 GGADHM CCCc1nc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821143065 607119566 /nfs/dbraw/zinc/11/95/66/607119566.db2.gz QDBQVNUAHNYEQW-UHFFFAOYSA-N -1 3 387.465 3.177 20 0 GGADHM COc1ccc(C)cc1COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821782938 607119984 /nfs/dbraw/zinc/11/99/84/607119984.db2.gz SVWGFRJSLLHDJO-UHFFFAOYSA-N -1 3 382.420 3.085 20 0 GGADHM COc1ccc(C)cc1COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821782938 607119986 /nfs/dbraw/zinc/11/99/86/607119986.db2.gz SVWGFRJSLLHDJO-UHFFFAOYSA-N -1 3 382.420 3.085 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820732802 607120800 /nfs/dbraw/zinc/12/08/00/607120800.db2.gz ABKIUWXYDUNAPN-PBFPGSCMSA-N -1 3 398.492 3.161 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820732802 607120802 /nfs/dbraw/zinc/12/08/02/607120802.db2.gz ABKIUWXYDUNAPN-PBFPGSCMSA-N -1 3 398.492 3.161 20 0 GGADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820758836 607122803 /nfs/dbraw/zinc/12/28/03/607122803.db2.gz DOPXURFDKPGAIB-GUYCJALGSA-N -1 3 380.477 3.143 20 0 GGADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820758836 607122805 /nfs/dbraw/zinc/12/28/05/607122805.db2.gz DOPXURFDKPGAIB-GUYCJALGSA-N -1 3 380.477 3.143 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccnc(OC(C)C)c1 ZINC000820086752 607123874 /nfs/dbraw/zinc/12/38/74/607123874.db2.gz DLABPNKMPOVWHV-UHFFFAOYSA-N -1 3 394.479 3.347 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccnc(OC(C)C)c1 ZINC000820086752 607123876 /nfs/dbraw/zinc/12/38/76/607123876.db2.gz DLABPNKMPOVWHV-UHFFFAOYSA-N -1 3 394.479 3.347 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820732903 607124033 /nfs/dbraw/zinc/12/40/33/607124033.db2.gz AQJMRGKHWJUKRX-XNJGSVPQSA-N -1 3 398.492 3.161 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820732903 607124034 /nfs/dbraw/zinc/12/40/34/607124034.db2.gz AQJMRGKHWJUKRX-XNJGSVPQSA-N -1 3 398.492 3.161 20 0 GGADHM Cc1coc(-c2ccc(C)c(NCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403731 607125829 /nfs/dbraw/zinc/12/58/29/607125829.db2.gz SORMCTNODUBXQQ-UHFFFAOYSA-N -1 3 389.419 3.189 20 0 GGADHM Cc1coc(-c2ccc(C)c(NCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403731 607125830 /nfs/dbraw/zinc/12/58/30/607125830.db2.gz SORMCTNODUBXQQ-UHFFFAOYSA-N -1 3 389.419 3.189 20 0 GGADHM Cc1cccc([C@@H](O)CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)c1 ZINC000822288958 607127621 /nfs/dbraw/zinc/12/76/21/607127621.db2.gz OCDVPDOOSXAXJU-HNNXBMFYSA-N -1 3 398.829 3.083 20 0 GGADHM Cc1cccc([C@@H](O)CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)c1 ZINC000822288958 607127622 /nfs/dbraw/zinc/12/76/22/607127622.db2.gz OCDVPDOOSXAXJU-HNNXBMFYSA-N -1 3 398.829 3.083 20 0 GGADHM Fc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nnn[n-]3)n2)cc1F ZINC000822762175 607133624 /nfs/dbraw/zinc/13/36/24/607133624.db2.gz ZFULMTDNMINHFX-UHFFFAOYSA-N -1 3 390.737 3.427 20 0 GGADHM Fc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)cc1F ZINC000822762175 607133626 /nfs/dbraw/zinc/13/36/26/607133626.db2.gz ZFULMTDNMINHFX-UHFFFAOYSA-N -1 3 390.737 3.427 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000822748377 607136830 /nfs/dbraw/zinc/13/68/30/607136830.db2.gz WJASRFZLESKOCE-UHFFFAOYSA-N -1 3 392.272 3.052 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000822748377 607136832 /nfs/dbraw/zinc/13/68/32/607136832.db2.gz WJASRFZLESKOCE-UHFFFAOYSA-N -1 3 392.272 3.052 20 0 GGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000820571130 607138676 /nfs/dbraw/zinc/13/86/76/607138676.db2.gz WCMFNRDXEYHWST-SSCKCOOKSA-N -1 3 385.431 3.324 20 0 GGADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000820571130 607138677 /nfs/dbraw/zinc/13/86/77/607138677.db2.gz WCMFNRDXEYHWST-SSCKCOOKSA-N -1 3 385.431 3.324 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820373838 607138790 /nfs/dbraw/zinc/13/87/90/607138790.db2.gz JOVQUOUFQGUSLF-SECBINFHSA-N -1 3 392.341 3.490 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820373838 607138792 /nfs/dbraw/zinc/13/87/92/607138792.db2.gz JOVQUOUFQGUSLF-SECBINFHSA-N -1 3 392.341 3.490 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000821608522 607138997 /nfs/dbraw/zinc/13/89/97/607138997.db2.gz KWPAWSAIKJLZDU-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000821608522 607138999 /nfs/dbraw/zinc/13/89/99/607138999.db2.gz KWPAWSAIKJLZDU-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM CCCn1nc(C)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1C ZINC000821146876 607141874 /nfs/dbraw/zinc/14/18/74/607141874.db2.gz AEJGDOGBTZQKAY-UHFFFAOYSA-N -1 3 385.497 3.283 20 0 GGADHM CCCn1nc(C)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1C ZINC000821146876 607141876 /nfs/dbraw/zinc/14/18/76/607141876.db2.gz AEJGDOGBTZQKAY-UHFFFAOYSA-N -1 3 385.497 3.283 20 0 GGADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823556972 607143281 /nfs/dbraw/zinc/14/32/81/607143281.db2.gz CMMBCRMQQHEHAN-FPLPWBNLSA-N -1 3 380.788 3.039 20 0 GGADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823556972 607143282 /nfs/dbraw/zinc/14/32/82/607143282.db2.gz CMMBCRMQQHEHAN-FPLPWBNLSA-N -1 3 380.788 3.039 20 0 GGADHM O=C(Cc1cc(F)c(F)cc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823073969 607146097 /nfs/dbraw/zinc/14/60/97/607146097.db2.gz HAMYZLMSOXUCBN-UHFFFAOYSA-N -1 3 387.365 3.018 20 0 GGADHM O=C(Cc1cc(F)c(F)cc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823073969 607146099 /nfs/dbraw/zinc/14/60/99/607146099.db2.gz HAMYZLMSOXUCBN-UHFFFAOYSA-N -1 3 387.365 3.018 20 0 GGADHM C[C@@H](COc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820293171 607148371 /nfs/dbraw/zinc/14/83/71/607148371.db2.gz HYMBTGPTBCQDAT-LBPRGKRZSA-N -1 3 383.477 3.461 20 0 GGADHM C[C@@H](COc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820293171 607148373 /nfs/dbraw/zinc/14/83/73/607148373.db2.gz HYMBTGPTBCQDAT-LBPRGKRZSA-N -1 3 383.477 3.461 20 0 GGADHM Fc1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)c(Br)c1 ZINC000822772353 607150502 /nfs/dbraw/zinc/15/05/02/607150502.db2.gz VRVGDMUGMWIMPN-UHFFFAOYSA-N -1 3 380.196 3.197 20 0 GGADHM COc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Cl)n1 ZINC000821835397 607150699 /nfs/dbraw/zinc/15/06/99/607150699.db2.gz JNVWKIXLIBPKSH-UHFFFAOYSA-N -1 3 396.263 3.386 20 0 GGADHM COc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Cl)n1 ZINC000821835397 607150701 /nfs/dbraw/zinc/15/07/01/607150701.db2.gz JNVWKIXLIBPKSH-UHFFFAOYSA-N -1 3 396.263 3.386 20 0 GGADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822987221 607152612 /nfs/dbraw/zinc/15/26/12/607152612.db2.gz TZTNXERHNHDOJH-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822987221 607152613 /nfs/dbraw/zinc/15/26/13/607152613.db2.gz TZTNXERHNHDOJH-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM CCc1cc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)oc1CC ZINC000821470116 607154358 /nfs/dbraw/zinc/15/43/58/607154358.db2.gz MHKUBTVXKZEAGW-UHFFFAOYSA-N -1 3 395.463 3.268 20 0 GGADHM CCO[C@@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)C ZINC000821350774 607155094 /nfs/dbraw/zinc/15/50/94/607155094.db2.gz CVFHOQYINUYEKJ-KRWDZBQOSA-N -1 3 396.451 3.444 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000821700393 607162613 /nfs/dbraw/zinc/16/26/13/607162613.db2.gz NDVCLGVUSBRSGK-KRWDZBQOSA-N -1 3 399.495 3.216 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000821700393 607162615 /nfs/dbraw/zinc/16/26/15/607162615.db2.gz NDVCLGVUSBRSGK-KRWDZBQOSA-N -1 3 399.495 3.216 20 0 GGADHM COc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000821835612 607166241 /nfs/dbraw/zinc/16/62/41/607166241.db2.gz OIFANUOCGONXLV-UHFFFAOYSA-N -1 3 383.799 3.191 20 0 GGADHM COc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000821835612 607166242 /nfs/dbraw/zinc/16/62/42/607166242.db2.gz OIFANUOCGONXLV-UHFFFAOYSA-N -1 3 383.799 3.191 20 0 GGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000820555474 607170327 /nfs/dbraw/zinc/17/03/27/607170327.db2.gz LQAIHYDHQUWXHB-LBPRGKRZSA-N -1 3 395.394 3.350 20 0 GGADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000820555474 607170328 /nfs/dbraw/zinc/17/03/28/607170328.db2.gz LQAIHYDHQUWXHB-LBPRGKRZSA-N -1 3 395.394 3.350 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Br)c1 ZINC000823040343 607170923 /nfs/dbraw/zinc/17/09/23/607170923.db2.gz IEQYYABQXRURDH-UHFFFAOYSA-N -1 3 377.173 3.030 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Br)c1 ZINC000823040343 607170924 /nfs/dbraw/zinc/17/09/24/607170924.db2.gz IEQYYABQXRURDH-UHFFFAOYSA-N -1 3 377.173 3.030 20 0 GGADHM C[C@H](Nc1nc(-c2cccnc2)nc2c1CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820462689 607173372 /nfs/dbraw/zinc/17/33/72/607173372.db2.gz ZYDFTHUMSWIKJU-ZDUSSCGKSA-N -1 3 384.447 3.381 20 0 GGADHM C[C@H](Nc1nc(-c2cccnc2)nc2c1CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820462689 607173373 /nfs/dbraw/zinc/17/33/73/607173373.db2.gz ZYDFTHUMSWIKJU-ZDUSSCGKSA-N -1 3 384.447 3.381 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000820455380 607173421 /nfs/dbraw/zinc/17/34/21/607173421.db2.gz HZJDMMDADXSQTD-JTQLQIEISA-N -1 3 376.342 3.325 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000820455380 607173422 /nfs/dbraw/zinc/17/34/22/607173422.db2.gz HZJDMMDADXSQTD-JTQLQIEISA-N -1 3 376.342 3.325 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCOCC2)C1 ZINC000822718219 607175802 /nfs/dbraw/zinc/17/58/02/607175802.db2.gz COBUMAVHPBUBNG-GFCCVEGCSA-N -1 3 383.374 3.026 20 0 GGADHM COc1ccc(-c2noc([C@@H](C)N(C)Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821766211 607176060 /nfs/dbraw/zinc/17/60/60/607176060.db2.gz SKKNAZSBHWEUAP-CYBMUJFWSA-N -1 3 391.435 3.118 20 0 GGADHM COc1ccc(-c2noc([C@@H](C)N(C)Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821765958 607176227 /nfs/dbraw/zinc/17/62/27/607176227.db2.gz OHUCJXWYLGBLEQ-CYBMUJFWSA-N -1 3 391.435 3.118 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H](O)c1ccccc1 ZINC000823418336 607178791 /nfs/dbraw/zinc/17/87/91/607178791.db2.gz PUQYQNJCGLZSEG-FQEVSTJZSA-N -1 3 386.411 3.311 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H](O)c1ccccc1 ZINC000823418336 607178792 /nfs/dbraw/zinc/17/87/92/607178792.db2.gz PUQYQNJCGLZSEG-FQEVSTJZSA-N -1 3 386.411 3.311 20 0 GGADHM CCCCC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821050246 607184415 /nfs/dbraw/zinc/18/44/15/607184415.db2.gz PYSOTOJGYNNUHQ-CYBMUJFWSA-N -1 3 390.875 3.030 20 0 GGADHM CCCCC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821050246 607184416 /nfs/dbraw/zinc/18/44/16/607184416.db2.gz PYSOTOJGYNNUHQ-CYBMUJFWSA-N -1 3 390.875 3.030 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1OC(F)F ZINC000821773018 607189768 /nfs/dbraw/zinc/18/97/68/607189768.db2.gz WWYVSJNEQPUHBY-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1OC(F)F ZINC000821773018 607189769 /nfs/dbraw/zinc/18/97/69/607189769.db2.gz WWYVSJNEQPUHBY-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822458967 607190067 /nfs/dbraw/zinc/19/00/67/607190067.db2.gz LAVJEDLNEADDGN-UHFFFAOYSA-N -1 3 396.842 3.406 20 0 GGADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822458967 607190068 /nfs/dbraw/zinc/19/00/68/607190068.db2.gz LAVJEDLNEADDGN-UHFFFAOYSA-N -1 3 396.842 3.406 20 0 GGADHM O=C(Cc1ccccc1Br)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823115347 607190303 /nfs/dbraw/zinc/19/03/03/607190303.db2.gz MKATVGFNMOKAHY-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccccc1Br)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823115347 607190304 /nfs/dbraw/zinc/19/03/04/607190304.db2.gz MKATVGFNMOKAHY-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C12CCCC2 ZINC000821360752 607196494 /nfs/dbraw/zinc/19/64/94/607196494.db2.gz SGHWKRYQGDRSRM-GJZGRUSLSA-N -1 3 390.875 3.379 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C12CCCC2 ZINC000821360752 607196495 /nfs/dbraw/zinc/19/64/95/607196495.db2.gz SGHWKRYQGDRSRM-GJZGRUSLSA-N -1 3 390.875 3.379 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000820372867 607197123 /nfs/dbraw/zinc/19/71/23/607197123.db2.gz CONYEDVUEFXIEH-VIFPVBQESA-N -1 3 386.799 3.132 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000820372867 607197124 /nfs/dbraw/zinc/19/71/24/607197124.db2.gz CONYEDVUEFXIEH-VIFPVBQESA-N -1 3 386.799 3.132 20 0 GGADHM CCC1(CC)[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@@H]1OC ZINC000820955626 607197222 /nfs/dbraw/zinc/19/72/22/607197222.db2.gz DDEZZYZQGYBORG-KBPBESRZSA-N -1 3 378.864 3.235 20 0 GGADHM CCC1(CC)[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H]1OC ZINC000820955626 607197223 /nfs/dbraw/zinc/19/72/23/607197223.db2.gz DDEZZYZQGYBORG-KBPBESRZSA-N -1 3 378.864 3.235 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000820372825 607200495 /nfs/dbraw/zinc/20/04/95/607200495.db2.gz BSKKAFOYZRTYHU-QMMMGPOBSA-N -1 3 390.835 3.083 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000820372825 607200496 /nfs/dbraw/zinc/20/04/96/607200496.db2.gz BSKKAFOYZRTYHU-QMMMGPOBSA-N -1 3 390.835 3.083 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000820120372 607213164 /nfs/dbraw/zinc/21/31/64/607213164.db2.gz DMPSNFTZUQIPMF-SFHVURJKSA-N -1 3 398.511 3.279 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000820120372 607213165 /nfs/dbraw/zinc/21/31/65/607213165.db2.gz DMPSNFTZUQIPMF-SFHVURJKSA-N -1 3 398.511 3.279 20 0 GGADHM Cc1cc(Oc2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2)n[nH]1 ZINC000822211979 607216832 /nfs/dbraw/zinc/21/68/32/607216832.db2.gz WOBSBNAFLKIYHE-UHFFFAOYSA-N -1 3 397.345 3.221 20 0 GGADHM Cc1cc(Oc2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2)n[nH]1 ZINC000822211979 607216833 /nfs/dbraw/zinc/21/68/33/607216833.db2.gz WOBSBNAFLKIYHE-UHFFFAOYSA-N -1 3 397.345 3.221 20 0 GGADHM CC(C)N(CC(F)F)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820116325 607224701 /nfs/dbraw/zinc/22/47/01/607224701.db2.gz HIHZYYNQSJFUMR-UHFFFAOYSA-N -1 3 388.378 3.170 20 0 GGADHM CC(C)N(CC(F)F)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820116325 607224702 /nfs/dbraw/zinc/22/47/02/607224702.db2.gz HIHZYYNQSJFUMR-UHFFFAOYSA-N -1 3 388.378 3.170 20 0 GGADHM CN(Cc1ccc([S@](C)=O)cc1)c1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821611132 607227875 /nfs/dbraw/zinc/22/78/75/607227875.db2.gz RQJMQJUNHMQPJP-MHZLTWQESA-N -1 3 395.410 3.259 20 0 GGADHM CN(Cc1ccc([S@](C)=O)cc1)c1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821611132 607227876 /nfs/dbraw/zinc/22/78/76/607227876.db2.gz RQJMQJUNHMQPJP-MHZLTWQESA-N -1 3 395.410 3.259 20 0 GGADHM CN(Cc1ccc2ccccc2c1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821612144 607231658 /nfs/dbraw/zinc/23/16/58/607231658.db2.gz KUUQLFGCQZQPNN-UHFFFAOYSA-N -1 3 378.823 3.341 20 0 GGADHM CN(Cc1ccc2ccccc2c1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821612144 607231659 /nfs/dbraw/zinc/23/16/59/607231659.db2.gz KUUQLFGCQZQPNN-UHFFFAOYSA-N -1 3 378.823 3.341 20 0 GGADHM CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)cc21 ZINC000820586008 607235617 /nfs/dbraw/zinc/23/56/17/607235617.db2.gz RHOHVXNJMAEMJL-UHFFFAOYSA-N -1 3 382.811 3.002 20 0 GGADHM CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)cc21 ZINC000820586008 607235618 /nfs/dbraw/zinc/23/56/18/607235618.db2.gz RHOHVXNJMAEMJL-UHFFFAOYSA-N -1 3 382.811 3.002 20 0 GGADHM CCOc1ccc(OC)cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821427429 607237994 /nfs/dbraw/zinc/23/79/94/607237994.db2.gz SKLVJLHPHCAJIH-UHFFFAOYSA-N -1 3 397.435 3.070 20 0 GGADHM CCOc1ccc(OC)cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821427429 607237995 /nfs/dbraw/zinc/23/79/95/607237995.db2.gz SKLVJLHPHCAJIH-UHFFFAOYSA-N -1 3 397.435 3.070 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1OCC1CC1 ZINC000820001286 607238495 /nfs/dbraw/zinc/23/84/95/607238495.db2.gz IMRFGFCEGQZTDX-UHFFFAOYSA-N -1 3 393.447 3.452 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1OCC1CC1 ZINC000820001286 607238496 /nfs/dbraw/zinc/23/84/96/607238496.db2.gz IMRFGFCEGQZTDX-UHFFFAOYSA-N -1 3 393.447 3.452 20 0 GGADHM CC(C)Oc1cncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000820177774 607238834 /nfs/dbraw/zinc/23/88/34/607238834.db2.gz AFMYMEAURDKSFA-UHFFFAOYSA-N -1 3 392.341 3.320 20 0 GGADHM CC(C)Oc1cncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000820177774 607238835 /nfs/dbraw/zinc/23/88/35/607238835.db2.gz AFMYMEAURDKSFA-UHFFFAOYSA-N -1 3 392.341 3.320 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000821698525 607239892 /nfs/dbraw/zinc/23/98/92/607239892.db2.gz NLXLHXYLNZGKQR-ZJUUUORDSA-N -1 3 395.257 3.370 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000821698525 607239893 /nfs/dbraw/zinc/23/98/93/607239893.db2.gz NLXLHXYLNZGKQR-ZJUUUORDSA-N -1 3 395.257 3.370 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)/C=C1/CC[C@H](C)C1 ZINC000821698752 607239948 /nfs/dbraw/zinc/23/99/48/607239948.db2.gz XFNZTQZYKUABJN-LKJZUNMESA-N -1 3 393.241 3.290 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)/C=C1/CC[C@H](C)C1 ZINC000821698752 607239949 /nfs/dbraw/zinc/23/99/49/607239949.db2.gz XFNZTQZYKUABJN-LKJZUNMESA-N -1 3 393.241 3.290 20 0 GGADHM CC(=O)CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819782569 607241065 /nfs/dbraw/zinc/24/10/65/607241065.db2.gz NXZMYNVLWOHVFX-UHFFFAOYSA-N -1 3 399.838 3.059 20 0 GGADHM CC(=O)CCc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819782569 607241066 /nfs/dbraw/zinc/24/10/66/607241066.db2.gz NXZMYNVLWOHVFX-UHFFFAOYSA-N -1 3 399.838 3.059 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c2nc1C ZINC000822458543 607241524 /nfs/dbraw/zinc/24/15/24/607241524.db2.gz DJYSPWQPTPUAFZ-UHFFFAOYSA-N -1 3 397.801 3.472 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c2nc1C ZINC000822458543 607241525 /nfs/dbraw/zinc/24/15/25/607241525.db2.gz DJYSPWQPTPUAFZ-UHFFFAOYSA-N -1 3 397.801 3.472 20 0 GGADHM O=C(COc1cccc(C(F)(F)F)c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823043859 607248058 /nfs/dbraw/zinc/24/80/58/607248058.db2.gz KFAVCUOHCROUCQ-UHFFFAOYSA-N -1 3 382.273 3.009 20 0 GGADHM O=C(COc1cccc(C(F)(F)F)c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823043859 607248059 /nfs/dbraw/zinc/24/80/59/607248059.db2.gz KFAVCUOHCROUCQ-UHFFFAOYSA-N -1 3 382.273 3.009 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822535296 607249824 /nfs/dbraw/zinc/24/98/24/607249824.db2.gz MTHPKAPDNOCMOW-UHFFFAOYSA-N -1 3 379.351 3.117 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822535296 607249825 /nfs/dbraw/zinc/24/98/25/607249825.db2.gz MTHPKAPDNOCMOW-UHFFFAOYSA-N -1 3 379.351 3.117 20 0 GGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000824808510 607774444 /nfs/dbraw/zinc/77/44/44/607774444.db2.gz UDJDTEHGUIOOOC-IBGZPJMESA-N -1 3 377.448 3.075 20 0 GGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000824808510 607774445 /nfs/dbraw/zinc/77/44/45/607774445.db2.gz UDJDTEHGUIOOOC-IBGZPJMESA-N -1 3 377.448 3.075 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000826174528 607780402 /nfs/dbraw/zinc/78/04/02/607780402.db2.gz AJXIQFAWDAPAPI-DYVFJYSZSA-N -1 3 393.447 3.009 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000826174528 607780403 /nfs/dbraw/zinc/78/04/03/607780403.db2.gz AJXIQFAWDAPAPI-DYVFJYSZSA-N -1 3 393.447 3.009 20 0 GGADHM CN(C)c1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000825879023 607780851 /nfs/dbraw/zinc/78/08/51/607780851.db2.gz FVTHZKPFRZYEDR-UHFFFAOYSA-N -1 3 391.460 3.309 20 0 GGADHM CN(C)c1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000825879023 607780852 /nfs/dbraw/zinc/78/08/52/607780852.db2.gz FVTHZKPFRZYEDR-UHFFFAOYSA-N -1 3 391.460 3.309 20 0 GGADHM CN(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccccc1-c1nnn[n-]1 ZINC000825818048 607786473 /nfs/dbraw/zinc/78/64/73/607786473.db2.gz UDWWZDRXKWTQSU-UHFFFAOYSA-N -1 3 377.448 3.177 20 0 GGADHM CN(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccccc1-c1nn[n-]n1 ZINC000825818048 607786474 /nfs/dbraw/zinc/78/64/74/607786474.db2.gz UDWWZDRXKWTQSU-UHFFFAOYSA-N -1 3 377.448 3.177 20 0 GGADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000824040941 607788597 /nfs/dbraw/zinc/78/85/97/607788597.db2.gz VOHIOFBTGYUESR-VIFPVBQESA-N -1 3 392.282 3.457 20 0 GGADHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000824040941 607788598 /nfs/dbraw/zinc/78/85/98/607788598.db2.gz VOHIOFBTGYUESR-VIFPVBQESA-N -1 3 392.282 3.457 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824755305 607788615 /nfs/dbraw/zinc/78/86/15/607788615.db2.gz KYWSRVJGKBEATD-NSHDSACASA-N -1 3 391.353 3.316 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824755305 607788616 /nfs/dbraw/zinc/78/86/16/607788616.db2.gz KYWSRVJGKBEATD-NSHDSACASA-N -1 3 391.353 3.316 20 0 GGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812594 607788981 /nfs/dbraw/zinc/78/89/81/607788981.db2.gz NZGGSSSAQNNTFS-HUUCEWRRSA-N -1 3 398.264 3.396 20 0 GGADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812594 607788982 /nfs/dbraw/zinc/78/89/82/607788982.db2.gz NZGGSSSAQNNTFS-HUUCEWRRSA-N -1 3 398.264 3.396 20 0 GGADHM COc1cc(Cl)c(Cl)cc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826180028 607789198 /nfs/dbraw/zinc/78/91/98/607789198.db2.gz PHQILAYRMSJNLC-UHFFFAOYSA-N -1 3 378.219 3.459 20 0 GGADHM COc1cc(Cl)c(Cl)cc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826180028 607789199 /nfs/dbraw/zinc/78/91/99/607789199.db2.gz PHQILAYRMSJNLC-UHFFFAOYSA-N -1 3 378.219 3.459 20 0 GGADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000824343136 607792828 /nfs/dbraw/zinc/79/28/28/607792828.db2.gz YPHXHLZXGZCWPZ-IYARVYRRSA-N -1 3 396.539 3.368 20 0 GGADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000824343136 607792829 /nfs/dbraw/zinc/79/28/29/607792829.db2.gz YPHXHLZXGZCWPZ-IYARVYRRSA-N -1 3 396.539 3.368 20 0 GGADHM CCN(C(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363093 607797096 /nfs/dbraw/zinc/79/70/96/607797096.db2.gz SUUIRITWFWQQPS-NSHDSACASA-N -1 3 389.818 3.480 20 0 GGADHM CCN(C(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363093 607797097 /nfs/dbraw/zinc/79/70/97/607797097.db2.gz SUUIRITWFWQQPS-NSHDSACASA-N -1 3 389.818 3.480 20 0 GGADHM CCN(C(=O)c1oc2ccccc2c1COC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390450 607798761 /nfs/dbraw/zinc/79/87/61/607798761.db2.gz FHVSMRGCJCLPCC-UHFFFAOYSA-N -1 3 377.404 3.426 20 0 GGADHM CCN(C(=O)c1oc2ccccc2c1COC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390450 607798762 /nfs/dbraw/zinc/79/87/62/607798762.db2.gz FHVSMRGCJCLPCC-UHFFFAOYSA-N -1 3 377.404 3.426 20 0 GGADHM CCN(C(=O)COc1ccc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372138 607799292 /nfs/dbraw/zinc/79/92/92/607799292.db2.gz REHZDVBXSQUVJQ-UHFFFAOYSA-N -1 3 377.448 3.177 20 0 GGADHM CCN(C(=O)COc1ccc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372138 607799293 /nfs/dbraw/zinc/79/92/93/607799293.db2.gz REHZDVBXSQUVJQ-UHFFFAOYSA-N -1 3 377.448 3.177 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826401912 607803353 /nfs/dbraw/zinc/80/33/53/607803353.db2.gz JFZJDQSCALCONB-AZNUWBCPSA-N -1 3 389.459 3.164 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826401912 607803354 /nfs/dbraw/zinc/80/33/54/607803354.db2.gz JFZJDQSCALCONB-AZNUWBCPSA-N -1 3 389.459 3.164 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826451947 607803656 /nfs/dbraw/zinc/80/36/56/607803656.db2.gz CEQAJAMFSWLBSO-KDOFPFPSSA-N -1 3 378.436 3.156 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826451947 607803657 /nfs/dbraw/zinc/80/36/57/607803657.db2.gz CEQAJAMFSWLBSO-KDOFPFPSSA-N -1 3 378.436 3.156 20 0 GGADHM COc1cccnc1N(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826221181 607803964 /nfs/dbraw/zinc/80/39/64/607803964.db2.gz SRGMDJXOQORRNO-UHFFFAOYSA-N -1 3 386.415 3.214 20 0 GGADHM COc1cccnc1N(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826221181 607803965 /nfs/dbraw/zinc/80/39/65/607803965.db2.gz SRGMDJXOQORRNO-UHFFFAOYSA-N -1 3 386.415 3.214 20 0 GGADHM Cc1c(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241469 607804214 /nfs/dbraw/zinc/80/42/14/607804214.db2.gz FBLHEWOVJRBCJX-HNAYVOBHSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1c(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241469 607804215 /nfs/dbraw/zinc/80/42/15/607804215.db2.gz FBLHEWOVJRBCJX-HNAYVOBHSA-N -1 3 392.463 3.465 20 0 GGADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000826395390 607809835 /nfs/dbraw/zinc/80/98/35/607809835.db2.gz YZMXWATWQVOBLU-UHFFFAOYSA-N -1 3 380.239 3.005 20 0 GGADHM Cc1nc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826327094 607813332 /nfs/dbraw/zinc/81/33/32/607813332.db2.gz RTBZUWXLERHHQS-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM Cc1nc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826327094 607813333 /nfs/dbraw/zinc/81/33/33/607813333.db2.gz RTBZUWXLERHHQS-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000825957870 607816353 /nfs/dbraw/zinc/81/63/53/607816353.db2.gz IWEWAOBDODSALK-GOSISDBHSA-N -1 3 379.464 3.382 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000825957870 607816354 /nfs/dbraw/zinc/81/63/54/607816354.db2.gz IWEWAOBDODSALK-GOSISDBHSA-N -1 3 379.464 3.382 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826338160 607816969 /nfs/dbraw/zinc/81/69/69/607816969.db2.gz MPYLQBGUISOSEM-NSHDSACASA-N -1 3 384.440 3.391 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826338160 607816970 /nfs/dbraw/zinc/81/69/70/607816970.db2.gz MPYLQBGUISOSEM-NSHDSACASA-N -1 3 384.440 3.391 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826338304 607822850 /nfs/dbraw/zinc/82/28/50/607822850.db2.gz QSQOVJKUTZCQBN-NSHDSACASA-N -1 3 384.440 3.391 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826338304 607822851 /nfs/dbraw/zinc/82/28/51/607822851.db2.gz QSQOVJKUTZCQBN-NSHDSACASA-N -1 3 384.440 3.391 20 0 GGADHM CC(C)(C)O[C@@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824119922 607826635 /nfs/dbraw/zinc/82/66/35/607826635.db2.gz UFRIKQUXVFRRNA-GOSISDBHSA-N -1 3 394.431 3.149 20 0 GGADHM CC(C)(C)O[C@@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824119922 607826636 /nfs/dbraw/zinc/82/66/36/607826636.db2.gz UFRIKQUXVFRRNA-GOSISDBHSA-N -1 3 394.431 3.149 20 0 GGADHM CC(C)N(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824490938 607834099 /nfs/dbraw/zinc/83/40/99/607834099.db2.gz ROFZNIPDBVDFMF-CYBMUJFWSA-N -1 3 385.497 3.047 20 0 GGADHM CC(C)N(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824490938 607834100 /nfs/dbraw/zinc/83/41/00/607834100.db2.gz ROFZNIPDBVDFMF-CYBMUJFWSA-N -1 3 385.497 3.047 20 0 GGADHM COCC[C@H](C)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826154092 607836548 /nfs/dbraw/zinc/83/65/48/607836548.db2.gz HVVKHXLCXROPFV-AWEZNQCLSA-N -1 3 382.420 3.028 20 0 GGADHM COCC[C@H](C)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826154092 607836549 /nfs/dbraw/zinc/83/65/49/607836549.db2.gz HVVKHXLCXROPFV-AWEZNQCLSA-N -1 3 382.420 3.028 20 0 GGADHM c1cnn(Cc2cccc(CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)c2)c1 ZINC000826516474 607840921 /nfs/dbraw/zinc/84/09/21/607840921.db2.gz MDPLIBUWXVVQJO-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM c1cnn(Cc2cccc(CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)c2)c1 ZINC000826516474 607840922 /nfs/dbraw/zinc/84/09/22/607840922.db2.gz MDPLIBUWXVVQJO-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM Cn1nccc1C1CCN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)CC1 ZINC000826366664 607841490 /nfs/dbraw/zinc/84/14/90/607841490.db2.gz SKJCRMBCLALBCS-UHFFFAOYSA-N -1 3 377.374 3.003 20 0 GGADHM Cn1nccc1C1CCN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)CC1 ZINC000826366664 607841491 /nfs/dbraw/zinc/84/14/91/607841491.db2.gz SKJCRMBCLALBCS-UHFFFAOYSA-N -1 3 377.374 3.003 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1N1CC[C@@H](CNc2ccccn2)C1 ZINC000826368268 607841557 /nfs/dbraw/zinc/84/15/57/607841557.db2.gz JMKZZPKUGNVWEL-LBPRGKRZSA-N -1 3 389.385 3.219 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1N1CC[C@@H](CNc2ccccn2)C1 ZINC000826368268 607841558 /nfs/dbraw/zinc/84/15/58/607841558.db2.gz JMKZZPKUGNVWEL-LBPRGKRZSA-N -1 3 389.385 3.219 20 0 GGADHM O=C1[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCCN1c1ccccc1 ZINC000826478336 607842329 /nfs/dbraw/zinc/84/23/29/607842329.db2.gz ZNSUPQBVGFSGAN-GOSISDBHSA-N -1 3 385.431 3.022 20 0 GGADHM O=C1[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCCN1c1ccccc1 ZINC000826478336 607842330 /nfs/dbraw/zinc/84/23/30/607842330.db2.gz ZNSUPQBVGFSGAN-GOSISDBHSA-N -1 3 385.431 3.022 20 0 GGADHM O=c1c2ccccc2ncn1CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826501358 607844086 /nfs/dbraw/zinc/84/40/86/607844086.db2.gz MLOGJNNQIPUYML-UHFFFAOYSA-N -1 3 384.852 3.022 20 0 GGADHM O=c1c2ccccc2ncn1CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826501358 607844087 /nfs/dbraw/zinc/84/40/87/607844087.db2.gz MLOGJNNQIPUYML-UHFFFAOYSA-N -1 3 384.852 3.022 20 0 GGADHM COc1ccccc1-c1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c(=S)o1 ZINC000826218060 607846365 /nfs/dbraw/zinc/84/63/65/607846365.db2.gz NNZMSMANBWSTPJ-UHFFFAOYSA-N -1 3 395.448 3.155 20 0 GGADHM CN(Cn1nc(-c2ccccc2F)n(C)c1=S)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999324 607846948 /nfs/dbraw/zinc/84/69/48/607846948.db2.gz WRHSWPFUSDOAPZ-UHFFFAOYSA-N -1 3 396.455 3.031 20 0 GGADHM CC(C)c1nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(=S)n1C ZINC000824364392 607848095 /nfs/dbraw/zinc/84/80/95/607848095.db2.gz DRCNBXXLSUQVOS-UHFFFAOYSA-N -1 3 378.893 3.002 20 0 GGADHM CC(C)c1nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(=S)n1C ZINC000824364392 607848096 /nfs/dbraw/zinc/84/80/96/607848096.db2.gz DRCNBXXLSUQVOS-UHFFFAOYSA-N -1 3 378.893 3.002 20 0 GGADHM CN1C(=O)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010013 607849522 /nfs/dbraw/zinc/84/95/22/607849522.db2.gz AXJPNTXLLZQTOR-DOTOQJQBSA-N -1 3 386.818 3.043 20 0 GGADHM COc1ccccc1CN(C[C@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826219407 607849614 /nfs/dbraw/zinc/84/96/14/607849614.db2.gz AXESHJITFFKHPZ-OAHLLOKOSA-N -1 3 383.427 3.200 20 0 GGADHM COc1ccccc1CN(C[C@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826219407 607849615 /nfs/dbraw/zinc/84/96/15/607849615.db2.gz AXESHJITFFKHPZ-OAHLLOKOSA-N -1 3 383.427 3.200 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000826368320 607849768 /nfs/dbraw/zinc/84/97/68/607849768.db2.gz LPIZCHSDUKXXBQ-BIMULSAOSA-N -1 3 380.374 3.040 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000826368320 607849769 /nfs/dbraw/zinc/84/97/69/607849769.db2.gz LPIZCHSDUKXXBQ-BIMULSAOSA-N -1 3 380.374 3.040 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@@H](C4CCOCC4)C3)c2c1 ZINC000826352537 607851474 /nfs/dbraw/zinc/85/14/74/607851474.db2.gz FNWSOGJHSBHYIL-CYBMUJFWSA-N -1 3 384.871 3.321 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@H](C4CCOCC4)C3)c2c1 ZINC000826352537 607851475 /nfs/dbraw/zinc/85/14/75/607851475.db2.gz FNWSOGJHSBHYIL-CYBMUJFWSA-N -1 3 384.871 3.321 20 0 GGADHM COc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1-c1ccccn1 ZINC000826188428 607857123 /nfs/dbraw/zinc/85/71/23/607857123.db2.gz WZJBWTMQXPVRLE-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM COc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1-c1ccccn1 ZINC000826188428 607857124 /nfs/dbraw/zinc/85/71/24/607857124.db2.gz WZJBWTMQXPVRLE-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM Cc1cccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1Cl ZINC000826296401 607857421 /nfs/dbraw/zinc/85/74/21/607857421.db2.gz VKHLCEXEAVZGEW-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1Cl ZINC000826296401 607857422 /nfs/dbraw/zinc/85/74/22/607857422.db2.gz VKHLCEXEAVZGEW-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1Cl ZINC000826296384 607857613 /nfs/dbraw/zinc/85/76/13/607857613.db2.gz USQFTUBPUZQYCB-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1Cl ZINC000826296384 607857614 /nfs/dbraw/zinc/85/76/14/607857614.db2.gz USQFTUBPUZQYCB-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM COc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1-c1ccccn1 ZINC000826187383 607861370 /nfs/dbraw/zinc/86/13/70/607861370.db2.gz NWUUQSHBMYZMGT-UHFFFAOYSA-N -1 3 386.415 3.214 20 0 GGADHM COc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1-c1ccccn1 ZINC000826187383 607861371 /nfs/dbraw/zinc/86/13/71/607861371.db2.gz NWUUQSHBMYZMGT-UHFFFAOYSA-N -1 3 386.415 3.214 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc(-c2ccccn2)ccc1Cl ZINC000826453162 607861768 /nfs/dbraw/zinc/86/17/68/607861768.db2.gz YRCLTDMWCSHGNJ-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc(-c2ccccn2)ccc1Cl ZINC000826453162 607861769 /nfs/dbraw/zinc/86/17/69/607861769.db2.gz YRCLTDMWCSHGNJ-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM CC(C)c1ccccc1OC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824352365 607872278 /nfs/dbraw/zinc/87/22/78/607872278.db2.gz BCMZXLQMICDMOO-AWEZNQCLSA-N -1 3 388.855 3.462 20 0 GGADHM CC(C)c1ccccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824352365 607872279 /nfs/dbraw/zinc/87/22/79/607872279.db2.gz BCMZXLQMICDMOO-AWEZNQCLSA-N -1 3 388.855 3.462 20 0 GGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1Br ZINC000826504467 607873031 /nfs/dbraw/zinc/87/30/31/607873031.db2.gz WXNHEPFECMLWEN-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1Br ZINC000826504467 607873032 /nfs/dbraw/zinc/87/30/32/607873032.db2.gz WXNHEPFECMLWEN-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1Br ZINC000826504466 607873034 /nfs/dbraw/zinc/87/30/34/607873034.db2.gz WXNHEPFECMLWEN-CYBMUJFWSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1Br ZINC000826504466 607873035 /nfs/dbraw/zinc/87/30/35/607873035.db2.gz WXNHEPFECMLWEN-CYBMUJFWSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@H](COc1ccc(Oc2nccs2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504847 607875882 /nfs/dbraw/zinc/87/58/82/607875882.db2.gz GIVCGTJXOLQQSL-MRXNPFEDSA-N -1 3 381.417 3.228 20 0 GGADHM O[C@H](COc1ccc(Oc2nccs2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504847 607875883 /nfs/dbraw/zinc/87/58/83/607875883.db2.gz GIVCGTJXOLQQSL-MRXNPFEDSA-N -1 3 381.417 3.228 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824113704 607876261 /nfs/dbraw/zinc/87/62/61/607876261.db2.gz AJBPNXZTAYTACV-QGZVFWFLSA-N -1 3 397.435 3.326 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824113704 607876262 /nfs/dbraw/zinc/87/62/62/607876262.db2.gz AJBPNXZTAYTACV-QGZVFWFLSA-N -1 3 397.435 3.326 20 0 GGADHM CCN(C(=O)[C@H](C)Oc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361059 607878646 /nfs/dbraw/zinc/87/86/46/607878646.db2.gz AMRITHHNSHWBKN-NSHDSACASA-N -1 3 389.818 3.480 20 0 GGADHM CCN(C(=O)[C@H](C)Oc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361059 607878647 /nfs/dbraw/zinc/87/86/47/607878647.db2.gz AMRITHHNSHWBKN-NSHDSACASA-N -1 3 389.818 3.480 20 0 GGADHM CCN(C(=O)C1=Cc2ccccc2OC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368035 607878688 /nfs/dbraw/zinc/87/86/88/607878688.db2.gz ZLNFITDISMRSPS-UHFFFAOYSA-N -1 3 381.823 3.349 20 0 GGADHM CCN(C(=O)C1=Cc2ccccc2OC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368035 607878689 /nfs/dbraw/zinc/87/86/89/607878689.db2.gz ZLNFITDISMRSPS-UHFFFAOYSA-N -1 3 381.823 3.349 20 0 GGADHM Cc1cc(C(=O)Cn2ccc(-c3nnn[n-]3)c2)c(C)n1CCc1ccc(F)cc1 ZINC000826257173 607891011 /nfs/dbraw/zinc/89/10/11/607891011.db2.gz QSRSAKLCKUUWGG-UHFFFAOYSA-N -1 3 392.438 3.351 20 0 GGADHM Cc1cc(C(=O)Cn2ccc(-c3nn[n-]n3)c2)c(C)n1CCc1ccc(F)cc1 ZINC000826257173 607891012 /nfs/dbraw/zinc/89/10/12/607891012.db2.gz QSRSAKLCKUUWGG-UHFFFAOYSA-N -1 3 392.438 3.351 20 0 GGADHM O=C(CSC1CCOCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826419525 607894160 /nfs/dbraw/zinc/89/41/60/607894160.db2.gz BNRSLFBQEPNWKK-UHFFFAOYSA-N -1 3 393.538 3.048 20 0 GGADHM O=C(CSC1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826419525 607894161 /nfs/dbraw/zinc/89/41/61/607894161.db2.gz BNRSLFBQEPNWKK-UHFFFAOYSA-N -1 3 393.538 3.048 20 0 GGADHM C[C@@](O)(CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000824671098 607894458 /nfs/dbraw/zinc/89/44/58/607894458.db2.gz XAFPBKHURGNROK-HXUWFJFHSA-N -1 3 379.420 3.149 20 0 GGADHM C[C@@](O)(CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000824671098 607894459 /nfs/dbraw/zinc/89/44/59/607894459.db2.gz XAFPBKHURGNROK-HXUWFJFHSA-N -1 3 379.420 3.149 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000824333354 607911658 /nfs/dbraw/zinc/91/16/58/607911658.db2.gz ICOYLQIBXIJJLQ-OAHLLOKOSA-N -1 3 395.463 3.080 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000824333354 607911659 /nfs/dbraw/zinc/91/16/59/607911659.db2.gz ICOYLQIBXIJJLQ-OAHLLOKOSA-N -1 3 395.463 3.080 20 0 GGADHM CC[C@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCCO1 ZINC000825140577 607912341 /nfs/dbraw/zinc/91/23/41/607912341.db2.gz KROFTXHGASPPJM-OALUTQOASA-N -1 3 392.463 3.298 20 0 GGADHM CC1=CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC1 ZINC000824852263 607916551 /nfs/dbraw/zinc/91/65/51/607916551.db2.gz ITVPBAMXVDECNE-UHFFFAOYSA-N -1 3 377.408 3.238 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(=O)OC(C)(C)C ZINC000825679736 607918026 /nfs/dbraw/zinc/91/80/26/607918026.db2.gz CJSYCXBPTHFYPY-NHYWBVRUSA-N -1 3 388.472 3.053 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(=O)OC(C)(C)C ZINC000825679736 607918027 /nfs/dbraw/zinc/91/80/27/607918027.db2.gz CJSYCXBPTHFYPY-NHYWBVRUSA-N -1 3 388.472 3.053 20 0 GGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)Nc1sccc1-c1nnn[n-]1 ZINC000826415690 607918365 /nfs/dbraw/zinc/91/83/65/607918365.db2.gz OLIUHOMFYQUVTG-JHJVBQTASA-N -1 3 389.481 3.016 20 0 GGADHM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)Nc1sccc1-c1nn[n-]n1 ZINC000826415690 607918366 /nfs/dbraw/zinc/91/83/66/607918366.db2.gz OLIUHOMFYQUVTG-JHJVBQTASA-N -1 3 389.481 3.016 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)C1CCOCC1 ZINC000824966884 607920395 /nfs/dbraw/zinc/92/03/95/607920395.db2.gz GEQHTAFAEGRDJR-WDEREUQCSA-N -1 3 375.498 3.054 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)C1CCOCC1 ZINC000824966884 607920396 /nfs/dbraw/zinc/92/03/96/607920396.db2.gz GEQHTAFAEGRDJR-WDEREUQCSA-N -1 3 375.498 3.054 20 0 GGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824457756 607924611 /nfs/dbraw/zinc/92/46/11/607924611.db2.gz RNAACOKHPWGGAC-JTQLQIEISA-N -1 3 378.841 3.135 20 0 GGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824457756 607924612 /nfs/dbraw/zinc/92/46/12/607924612.db2.gz RNAACOKHPWGGAC-JTQLQIEISA-N -1 3 378.841 3.135 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cccc(OC(C)C)c1 ZINC000826117879 607926522 /nfs/dbraw/zinc/92/65/22/607926522.db2.gz UGWXSFMHFFOQCK-LJQANCHMSA-N -1 3 395.463 3.000 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cccc(OC(C)C)c1 ZINC000826117879 607926523 /nfs/dbraw/zinc/92/65/23/607926523.db2.gz UGWXSFMHFFOQCK-LJQANCHMSA-N -1 3 395.463 3.000 20 0 GGADHM COCCN(C(=O)[C@H](C)Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157182 607927356 /nfs/dbraw/zinc/92/73/56/607927356.db2.gz KTCFSWPIKVCELD-CQSZACIVSA-N -1 3 399.882 3.378 20 0 GGADHM COCCN(C(=O)[C@H](C)Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157182 607927357 /nfs/dbraw/zinc/92/73/57/607927357.db2.gz KTCFSWPIKVCELD-CQSZACIVSA-N -1 3 399.882 3.378 20 0 GGADHM CC(C)CSCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000824274551 607927514 /nfs/dbraw/zinc/92/75/14/607927514.db2.gz KHDHEEOJBLNQIG-UHFFFAOYSA-N -1 3 376.530 3.176 20 0 GGADHM CC(C)CSCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000824274551 607927515 /nfs/dbraw/zinc/92/75/15/607927515.db2.gz KHDHEEOJBLNQIG-UHFFFAOYSA-N -1 3 376.530 3.176 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000824148528 607931523 /nfs/dbraw/zinc/93/15/23/607931523.db2.gz YMTRTGBSEIHOJW-UHFFFAOYSA-N -1 3 383.378 3.150 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000824148528 607931524 /nfs/dbraw/zinc/93/15/24/607931524.db2.gz YMTRTGBSEIHOJW-UHFFFAOYSA-N -1 3 383.378 3.150 20 0 GGADHM CCCc1nccn1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000825352276 607932229 /nfs/dbraw/zinc/93/22/29/607932229.db2.gz LCOHJTZSQPNZBA-UHFFFAOYSA-N -1 3 396.499 3.188 20 0 GGADHM CCCc1nccn1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000825352276 607932230 /nfs/dbraw/zinc/93/22/30/607932230.db2.gz LCOHJTZSQPNZBA-UHFFFAOYSA-N -1 3 396.499 3.188 20 0 GGADHM C[C@@H](N[C@@H](C)c1ncc(Br)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824530439 607932447 /nfs/dbraw/zinc/93/24/47/607932447.db2.gz LNPMRLCYPCLQGD-BDAKNGLRSA-N -1 3 379.287 3.498 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000826456758 607933004 /nfs/dbraw/zinc/93/30/04/607933004.db2.gz VRTBWNNEQOCINO-UHFFFAOYSA-N -1 3 398.430 3.426 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000826456758 607933005 /nfs/dbraw/zinc/93/30/05/607933005.db2.gz VRTBWNNEQOCINO-UHFFFAOYSA-N -1 3 398.430 3.426 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000826452938 607933034 /nfs/dbraw/zinc/93/30/34/607933034.db2.gz OWFVHIQZCYGDOI-UHFFFAOYSA-N -1 3 398.430 3.426 20 0 GGADHM FC(F)(F)c1cnc(OCCCNc2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000826368867 607935366 /nfs/dbraw/zinc/93/53/66/607935366.db2.gz DHJOQTGVOWCDNP-UHFFFAOYSA-N -1 3 399.764 3.210 20 0 GGADHM FC(F)(F)c1cnc(OCCCNc2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000826368867 607935367 /nfs/dbraw/zinc/93/53/67/607935367.db2.gz DHJOQTGVOWCDNP-UHFFFAOYSA-N -1 3 399.764 3.210 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C)c1Br ZINC000826186278 607936661 /nfs/dbraw/zinc/93/66/61/607936661.db2.gz LSTCFAZEDDSSTB-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C)c1Br ZINC000826186278 607936662 /nfs/dbraw/zinc/93/66/62/607936662.db2.gz LSTCFAZEDDSSTB-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826507334 607936934 /nfs/dbraw/zinc/93/69/34/607936934.db2.gz MTBQNWRXNKHATQ-CZUORRHYSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000826507334 607936935 /nfs/dbraw/zinc/93/69/35/607936935.db2.gz MTBQNWRXNKHATQ-CZUORRHYSA-N -1 3 393.344 3.337 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826340491 607952547 /nfs/dbraw/zinc/95/25/47/607952547.db2.gz ADPFAXBEQKRXCJ-UHFFFAOYSA-N -1 3 392.444 3.023 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826340491 607952548 /nfs/dbraw/zinc/95/25/48/607952548.db2.gz ADPFAXBEQKRXCJ-UHFFFAOYSA-N -1 3 392.444 3.023 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826416809 607952831 /nfs/dbraw/zinc/95/28/31/607952831.db2.gz QWDBTVKHSJKGGU-UHFFFAOYSA-N -1 3 390.230 3.142 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826416809 607952832 /nfs/dbraw/zinc/95/28/32/607952832.db2.gz QWDBTVKHSJKGGU-UHFFFAOYSA-N -1 3 390.230 3.142 20 0 GGADHM C[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccncc1 ZINC000824723852 607959212 /nfs/dbraw/zinc/95/92/12/607959212.db2.gz VNJSSPNJRHQNNG-CYBMUJFWSA-N -1 3 391.387 3.352 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c(C)noc1C ZINC000825134845 607961506 /nfs/dbraw/zinc/96/15/06/607961506.db2.gz XMOHDUPSCMKDLM-GFCCVEGCSA-N -1 3 375.820 3.398 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(C)noc1C ZINC000825134845 607961507 /nfs/dbraw/zinc/96/15/07/607961507.db2.gz XMOHDUPSCMKDLM-GFCCVEGCSA-N -1 3 375.820 3.398 20 0 GGADHM O=C(C=Cc1ccnc(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826402761 607962553 /nfs/dbraw/zinc/96/25/53/607962553.db2.gz BHHBOARBYCQHQB-BAQGIRSFSA-N -1 3 380.839 3.120 20 0 GGADHM O=C(C=Cc1ccnc(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826402761 607962554 /nfs/dbraw/zinc/96/25/54/607962554.db2.gz BHHBOARBYCQHQB-BAQGIRSFSA-N -1 3 380.839 3.120 20 0 GGADHM CCN(C(=O)c1cccc(C2OCCO2)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385516 607963804 /nfs/dbraw/zinc/96/38/04/607963804.db2.gz IYLPNQUJJKKJHZ-AWEZNQCLSA-N -1 3 393.447 3.135 20 0 GGADHM CCN(C(=O)c1cccc(C2OCCO2)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385516 607963805 /nfs/dbraw/zinc/96/38/05/607963805.db2.gz IYLPNQUJJKKJHZ-AWEZNQCLSA-N -1 3 393.447 3.135 20 0 GGADHM CCN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825368005 607963867 /nfs/dbraw/zinc/96/38/67/607963867.db2.gz ZGVUCHHGOBBQSH-SCLBCKFNSA-N -1 3 383.427 3.039 20 0 GGADHM CCN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825368005 607963868 /nfs/dbraw/zinc/96/38/68/607963868.db2.gz ZGVUCHHGOBBQSH-SCLBCKFNSA-N -1 3 383.427 3.039 20 0 GGADHM CCN(C(=O)c1cccc(C2OCCO2)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385517 607963899 /nfs/dbraw/zinc/96/38/99/607963899.db2.gz IYLPNQUJJKKJHZ-CQSZACIVSA-N -1 3 393.447 3.135 20 0 GGADHM CCN(C(=O)c1cccc(C2OCCO2)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385517 607963900 /nfs/dbraw/zinc/96/39/00/607963900.db2.gz IYLPNQUJJKKJHZ-CQSZACIVSA-N -1 3 393.447 3.135 20 0 GGADHM Cc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cs2)n1C ZINC000826273607 607970034 /nfs/dbraw/zinc/97/00/34/607970034.db2.gz MGXRZEUFNOGBFB-GFCCVEGCSA-N -1 3 393.476 3.128 20 0 GGADHM Cc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)n1C ZINC000826273607 607970035 /nfs/dbraw/zinc/97/00/35/607970035.db2.gz MGXRZEUFNOGBFB-GFCCVEGCSA-N -1 3 393.476 3.128 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1CCC(F)(F)F ZINC000536187735 607970451 /nfs/dbraw/zinc/97/04/51/607970451.db2.gz BDWVDTZJZWCTPI-UHFFFAOYSA-N -1 3 375.354 3.292 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1CCC(F)(F)F ZINC000536187735 607970452 /nfs/dbraw/zinc/97/04/52/607970452.db2.gz BDWVDTZJZWCTPI-UHFFFAOYSA-N -1 3 375.354 3.292 20 0 GGADHM O=Cc1cc(Cl)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826484162 607973768 /nfs/dbraw/zinc/97/37/68/607973768.db2.gz QADCKLFNUGHYDC-UHFFFAOYSA-N -1 3 392.202 3.004 20 0 GGADHM O=Cc1cc(Cl)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826484162 607973769 /nfs/dbraw/zinc/97/37/69/607973769.db2.gz QADCKLFNUGHYDC-UHFFFAOYSA-N -1 3 392.202 3.004 20 0 GGADHM CC1(C)CC(C)(C)c2cc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)ccc21 ZINC000824791042 607976999 /nfs/dbraw/zinc/97/69/99/607976999.db2.gz WFECTWFKCLILQP-CYBMUJFWSA-N -1 3 392.511 3.176 20 0 GGADHM CC1(C)CC(C)(C)c2cc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)ccc21 ZINC000824791042 607977000 /nfs/dbraw/zinc/97/70/00/607977000.db2.gz WFECTWFKCLILQP-CYBMUJFWSA-N -1 3 392.511 3.176 20 0 GGADHM CC1(C)CC(C)(C)c2cc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)ccc21 ZINC000824791043 607977074 /nfs/dbraw/zinc/97/70/74/607977074.db2.gz WFECTWFKCLILQP-ZDUSSCGKSA-N -1 3 392.511 3.176 20 0 GGADHM CC1(C)CC(C)(C)c2cc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)ccc21 ZINC000824791043 607977075 /nfs/dbraw/zinc/97/70/75/607977075.db2.gz WFECTWFKCLILQP-ZDUSSCGKSA-N -1 3 392.511 3.176 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(Cl)nc1 ZINC000824319357 607978401 /nfs/dbraw/zinc/97/84/01/607978401.db2.gz NGHULLZCYQTCGH-YWEYNIOJSA-N -1 3 384.827 3.354 20 0 GGADHM Cc1cc([C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C2CC2)ccc1F ZINC000826262619 607979787 /nfs/dbraw/zinc/97/97/87/607979787.db2.gz TYPLMSOYFLGNOF-SFHVURJKSA-N -1 3 398.417 3.404 20 0 GGADHM Cc1cc([C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C2CC2)ccc1F ZINC000826262619 607979788 /nfs/dbraw/zinc/97/97/88/607979788.db2.gz TYPLMSOYFLGNOF-SFHVURJKSA-N -1 3 398.417 3.404 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823943505 607980082 /nfs/dbraw/zinc/98/00/82/607980082.db2.gz PXWOBKABLPCELB-XFXZXTDPSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823943505 607980083 /nfs/dbraw/zinc/98/00/83/607980083.db2.gz PXWOBKABLPCELB-XFXZXTDPSA-N -1 3 382.807 3.350 20 0 GGADHM CCCCC[C@@H](C)NC(=O)CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825268808 607983340 /nfs/dbraw/zinc/98/33/40/607983340.db2.gz YUGBGSYLPRVMQC-CYBMUJFWSA-N -1 3 377.514 3.194 20 0 GGADHM CCCCC[C@@H](C)NC(=O)CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825268808 607983341 /nfs/dbraw/zinc/98/33/41/607983341.db2.gz YUGBGSYLPRVMQC-CYBMUJFWSA-N -1 3 377.514 3.194 20 0 GGADHM COc1ccc(CSCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826207276 607983802 /nfs/dbraw/zinc/98/38/02/607983802.db2.gz HTTUUTZVMVFZBO-HEHGZKQESA-N -1 3 389.525 3.049 20 0 GGADHM COc1ccc(CSCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826207276 607983803 /nfs/dbraw/zinc/98/38/03/607983803.db2.gz HTTUUTZVMVFZBO-HEHGZKQESA-N -1 3 389.525 3.049 20 0 GGADHM COc1cccc(NC(=O)CCSCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826216950 607983826 /nfs/dbraw/zinc/98/38/26/607983826.db2.gz SUWKEDKWKHDFPD-UHFFFAOYSA-N -1 3 399.476 3.146 20 0 GGADHM COc1cccc(NC(=O)CCSCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826216950 607983827 /nfs/dbraw/zinc/98/38/27/607983827.db2.gz SUWKEDKWKHDFPD-UHFFFAOYSA-N -1 3 399.476 3.146 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)Nc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826207272 607984340 /nfs/dbraw/zinc/98/43/40/607984340.db2.gz HSYRANCWPJYGSB-LLVKDONJSA-N -1 3 387.440 3.275 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)Nc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826207272 607984341 /nfs/dbraw/zinc/98/43/41/607984341.db2.gz HSYRANCWPJYGSB-LLVKDONJSA-N -1 3 387.440 3.275 20 0 GGADHM O=C(CCn1ccc2cc(Cl)ccc21)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826409540 607985769 /nfs/dbraw/zinc/98/57/69/607985769.db2.gz DVHQEYVFNIVVKQ-UHFFFAOYSA-N -1 3 398.829 3.320 20 0 GGADHM O=C(CCn1ccc2cc(Cl)ccc21)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826409540 607985770 /nfs/dbraw/zinc/98/57/70/607985770.db2.gz DVHQEYVFNIVVKQ-UHFFFAOYSA-N -1 3 398.829 3.320 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284561 607986373 /nfs/dbraw/zinc/98/63/73/607986373.db2.gz JMHFQDCKBZPLMF-LLVKDONJSA-N -1 3 389.410 3.148 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284561 607986374 /nfs/dbraw/zinc/98/63/74/607986374.db2.gz JMHFQDCKBZPLMF-LLVKDONJSA-N -1 3 389.410 3.148 20 0 GGADHM Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273714 607986685 /nfs/dbraw/zinc/98/66/85/607986685.db2.gz QRGMHVIZDIYUDX-LBPRGKRZSA-N -1 3 393.476 3.128 20 0 GGADHM Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273714 607986686 /nfs/dbraw/zinc/98/66/86/607986686.db2.gz QRGMHVIZDIYUDX-LBPRGKRZSA-N -1 3 393.476 3.128 20 0 GGADHM C[C@@H](OC(=O)c1cnc(-c2ccccn2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722999 607989559 /nfs/dbraw/zinc/98/95/59/607989559.db2.gz LTMSQSBWUXKXGI-LLVKDONJSA-N -1 3 378.417 3.303 20 0 GGADHM C[C@@H](OC(=O)c1cnc(-c2ccccn2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722999 607989560 /nfs/dbraw/zinc/98/95/60/607989560.db2.gz LTMSQSBWUXKXGI-LLVKDONJSA-N -1 3 378.417 3.303 20 0 GGADHM CC1(C)CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824807615 607989812 /nfs/dbraw/zinc/98/98/12/607989812.db2.gz JYZCDFBXRHHHSK-UHFFFAOYSA-N -1 3 396.882 3.252 20 0 GGADHM CC1(C)CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824807615 607989813 /nfs/dbraw/zinc/98/98/13/607989813.db2.gz JYZCDFBXRHHHSK-UHFFFAOYSA-N -1 3 396.882 3.252 20 0 GGADHM FC(F)Oc1cccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826370377 607992089 /nfs/dbraw/zinc/99/20/89/607992089.db2.gz PLYFBTWYFIATHJ-KRWDZBQOSA-N -1 3 387.390 3.042 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000824293477 607996140 /nfs/dbraw/zinc/99/61/40/607996140.db2.gz NNSCYUKFZWQZMG-IBGZPJMESA-N -1 3 391.479 3.333 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000824293477 607996141 /nfs/dbraw/zinc/99/61/41/607996141.db2.gz NNSCYUKFZWQZMG-IBGZPJMESA-N -1 3 391.479 3.333 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C)c2O)c1-c1nnn[n-]1 ZINC000826231476 607999531 /nfs/dbraw/zinc/99/95/31/607999531.db2.gz NAKVYDXNGJUMOW-UHFFFAOYSA-N -1 3 382.449 3.127 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC1CCC(OC)CC1 ZINC000825605031 608001678 /nfs/dbraw/zinc/00/16/78/608001678.db2.gz OEYRLFCPKWFHFO-UHFFFAOYSA-N -1 3 394.859 3.420 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC1CCC(OC)CC1 ZINC000825605031 608001679 /nfs/dbraw/zinc/00/16/79/608001679.db2.gz OEYRLFCPKWFHFO-UHFFFAOYSA-N -1 3 394.859 3.420 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cncc2ccccc21 ZINC000824207065 608003545 /nfs/dbraw/zinc/00/35/45/608003545.db2.gz ORSWDRJBYPWBOV-LJQANCHMSA-N -1 3 388.431 3.457 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cncc2ccccc21 ZINC000824207065 608003546 /nfs/dbraw/zinc/00/35/46/608003546.db2.gz ORSWDRJBYPWBOV-LJQANCHMSA-N -1 3 388.431 3.457 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826273704 608004077 /nfs/dbraw/zinc/00/40/77/608004077.db2.gz QKBYVGFKKMDMLN-ZDUSSCGKSA-N -1 3 390.403 3.236 20 0 GGADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cs2)n1C ZINC000826273445 608006417 /nfs/dbraw/zinc/00/64/17/608006417.db2.gz DZOAHOOTQWGNCU-UHFFFAOYSA-N -1 3 383.412 3.029 20 0 GGADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cs2)n1C ZINC000826273445 608006418 /nfs/dbraw/zinc/00/64/18/608006418.db2.gz DZOAHOOTQWGNCU-UHFFFAOYSA-N -1 3 383.412 3.029 20 0 GGADHM C[C@H](CO)CCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824434441 608006914 /nfs/dbraw/zinc/00/69/14/608006914.db2.gz KAPFCXGQRPPSDL-AWEZNQCLSA-N -1 3 396.451 3.189 20 0 GGADHM C[C@H](CO)CCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824434441 608006915 /nfs/dbraw/zinc/00/69/15/608006915.db2.gz KAPFCXGQRPPSDL-AWEZNQCLSA-N -1 3 396.451 3.189 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826191510 608007464 /nfs/dbraw/zinc/00/74/64/608007464.db2.gz IMIZESPIHRPAIC-ZDUSSCGKSA-N -1 3 380.452 3.184 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826191510 608007465 /nfs/dbraw/zinc/00/74/65/608007465.db2.gz IMIZESPIHRPAIC-ZDUSSCGKSA-N -1 3 380.452 3.184 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826273514 608008463 /nfs/dbraw/zinc/00/84/63/608008463.db2.gz HYKDYAHVKHRWFJ-UHFFFAOYSA-N -1 3 389.419 3.494 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826273514 608008464 /nfs/dbraw/zinc/00/84/64/608008464.db2.gz HYKDYAHVKHRWFJ-UHFFFAOYSA-N -1 3 389.419 3.494 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc(C)n(CCC)c1=S ZINC000825323355 608018126 /nfs/dbraw/zinc/01/81/26/608018126.db2.gz UKZPLLXJZRYHOG-UHFFFAOYSA-N -1 3 386.529 3.182 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc(C)n(CCC)c1=S ZINC000825323355 608018127 /nfs/dbraw/zinc/01/81/27/608018127.db2.gz UKZPLLXJZRYHOG-UHFFFAOYSA-N -1 3 386.529 3.182 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826028988 608022861 /nfs/dbraw/zinc/02/28/61/608022861.db2.gz LSHUSYAQFIELRI-SJORKVTESA-N -1 3 397.870 3.087 20 0 GGADHM CCN(C(=O)c1cnc([C@H]2CCCO2)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386166 608025001 /nfs/dbraw/zinc/02/50/01/608025001.db2.gz ZQDBRNYPDJZWNQ-SWLSCSKDSA-N -1 3 398.492 3.398 20 0 GGADHM CCN(C(=O)c1cnc([C@H]2CCCO2)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386166 608025002 /nfs/dbraw/zinc/02/50/02/608025002.db2.gz ZQDBRNYPDJZWNQ-SWLSCSKDSA-N -1 3 398.492 3.398 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1C1CC1 ZINC000825080872 608028905 /nfs/dbraw/zinc/02/89/05/608028905.db2.gz CLRKWWMEJDODIF-NSHDSACASA-N -1 3 384.415 3.408 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1C1CC1 ZINC000825080872 608028906 /nfs/dbraw/zinc/02/89/06/608028906.db2.gz CLRKWWMEJDODIF-NSHDSACASA-N -1 3 384.415 3.408 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(CCOCc2ccccc2)CC1 ZINC000826402667 608030628 /nfs/dbraw/zinc/03/06/28/608030628.db2.gz ZIUJTZDZOONRIK-ZHACJKMWSA-N -1 3 389.459 3.136 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(CCOCc2ccccc2)CC1 ZINC000826402667 608030629 /nfs/dbraw/zinc/03/06/29/608030629.db2.gz ZIUJTZDZOONRIK-ZHACJKMWSA-N -1 3 389.459 3.136 20 0 GGADHM COc1ccc(COCCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826206883 608039961 /nfs/dbraw/zinc/03/99/61/608039961.db2.gz PJLVJUSZMNFFAC-OAHLLOKOSA-N -1 3 396.447 3.477 20 0 GGADHM COc1ccc(COCCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826206883 608039962 /nfs/dbraw/zinc/03/99/62/608039962.db2.gz PJLVJUSZMNFFAC-OAHLLOKOSA-N -1 3 396.447 3.477 20 0 GGADHM CCc1ccc(NC(=S)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825717477 608046535 /nfs/dbraw/zinc/04/65/35/608046535.db2.gz MRDZAODUKPUXHV-SFHVURJKSA-N -1 3 394.504 3.199 20 0 GGADHM CCc1ccc(NC(=S)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825717477 608046536 /nfs/dbraw/zinc/04/65/36/608046536.db2.gz MRDZAODUKPUXHV-SFHVURJKSA-N -1 3 394.504 3.199 20 0 GGADHM Cc1ccc(NC(=S)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000826291501 608047331 /nfs/dbraw/zinc/04/73/31/608047331.db2.gz JDBSVSXDNXRVJR-SFHVURJKSA-N -1 3 394.504 3.254 20 0 GGADHM Cc1ccc(NC(=S)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1C ZINC000826291501 608047332 /nfs/dbraw/zinc/04/73/32/608047332.db2.gz JDBSVSXDNXRVJR-SFHVURJKSA-N -1 3 394.504 3.254 20 0 GGADHM COC[C@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826148686 608047352 /nfs/dbraw/zinc/04/73/52/608047352.db2.gz OKVYULQNVBCIME-NSHDSACASA-N -1 3 387.827 3.077 20 0 GGADHM COC[C@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826148686 608047353 /nfs/dbraw/zinc/04/73/53/608047353.db2.gz OKVYULQNVBCIME-NSHDSACASA-N -1 3 387.827 3.077 20 0 GGADHM Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826290856 608049324 /nfs/dbraw/zinc/04/93/24/608049324.db2.gz CZUBLUSTITYKAQ-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826290856 608049325 /nfs/dbraw/zinc/04/93/25/608049325.db2.gz CZUBLUSTITYKAQ-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@]2(CCCOC2)C1 ZINC000823826033 608050334 /nfs/dbraw/zinc/05/03/34/608050334.db2.gz ALDQKKKVSDRUEL-INIZCTEOSA-N -1 3 378.274 3.026 20 0 GGADHM CC(C)(C)c1nnc(CNc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000824142072 608051159 /nfs/dbraw/zinc/05/11/59/608051159.db2.gz RTDVTWZZXMFGAA-UHFFFAOYSA-N -1 3 394.302 3.390 20 0 GGADHM CCc1nc2sccc2c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000825750562 608052361 /nfs/dbraw/zinc/05/23/61/608052361.db2.gz SLIRTGMTXPFLQG-HNNXBMFYSA-N -1 3 393.476 3.012 20 0 GGADHM CCc1nc2sccc2c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000825750562 608052362 /nfs/dbraw/zinc/05/23/62/608052362.db2.gz SLIRTGMTXPFLQG-HNNXBMFYSA-N -1 3 393.476 3.012 20 0 GGADHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCN1Cc1ccccc1 ZINC000826478211 608053728 /nfs/dbraw/zinc/05/37/28/608053728.db2.gz XAHHDRZCOCRBGQ-QGZVFWFLSA-N -1 3 382.855 3.123 20 0 GGADHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCN1Cc1ccccc1 ZINC000826478211 608053729 /nfs/dbraw/zinc/05/37/29/608053729.db2.gz XAHHDRZCOCRBGQ-QGZVFWFLSA-N -1 3 382.855 3.123 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000825314041 608053959 /nfs/dbraw/zinc/05/39/59/608053959.db2.gz WKVYVTWBQNRUPK-UHFFFAOYSA-N -1 3 393.422 3.220 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000825314041 608053960 /nfs/dbraw/zinc/05/39/60/608053960.db2.gz WKVYVTWBQNRUPK-UHFFFAOYSA-N -1 3 393.422 3.220 20 0 GGADHM CCCC[C@@H](CC)CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825260687 608061277 /nfs/dbraw/zinc/06/12/77/608061277.db2.gz QOKBKMGMUCTSPG-CRAIPNDOSA-N -1 3 386.500 3.166 20 0 GGADHM CCCC[C@@H](CC)CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825260687 608061278 /nfs/dbraw/zinc/06/12/78/608061278.db2.gz QOKBKMGMUCTSPG-CRAIPNDOSA-N -1 3 386.500 3.166 20 0 GGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825267986 608062810 /nfs/dbraw/zinc/06/28/10/608062810.db2.gz PJKOKLADHRUVMZ-LZQZEXGQSA-N -1 3 398.511 3.309 20 0 GGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825267986 608062811 /nfs/dbraw/zinc/06/28/11/608062811.db2.gz PJKOKLADHRUVMZ-LZQZEXGQSA-N -1 3 398.511 3.309 20 0 GGADHM CCC1CCC(CNC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000825195624 608062819 /nfs/dbraw/zinc/06/28/19/608062819.db2.gz XLTGTIPTOMLDQB-LADRWXRNSA-N -1 3 398.511 3.166 20 0 GGADHM CCC1CCC(CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825195624 608062820 /nfs/dbraw/zinc/06/28/20/608062820.db2.gz XLTGTIPTOMLDQB-LADRWXRNSA-N -1 3 398.511 3.166 20 0 GGADHM O=C(NCCCCC1CCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826436121 608064770 /nfs/dbraw/zinc/06/47/70/608064770.db2.gz IOUBLNXLHWGNLF-LJQANCHMSA-N -1 3 398.511 3.310 20 0 GGADHM O=C(NCCCCC1CCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826436121 608064771 /nfs/dbraw/zinc/06/47/71/608064771.db2.gz IOUBLNXLHWGNLF-LJQANCHMSA-N -1 3 398.511 3.310 20 0 GGADHM COc1cc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1SC ZINC000826179145 608068084 /nfs/dbraw/zinc/06/80/84/608068084.db2.gz ATHVUZOZQOPLQM-GOSISDBHSA-N -1 3 397.504 3.171 20 0 GGADHM COc1cc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1SC ZINC000826179145 608068085 /nfs/dbraw/zinc/06/80/85/608068085.db2.gz ATHVUZOZQOPLQM-GOSISDBHSA-N -1 3 397.504 3.171 20 0 GGADHM c1nc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)oc1-c1ccccc1 ZINC000826518976 608068500 /nfs/dbraw/zinc/06/85/00/608068500.db2.gz FJKIPDHFKVAPFG-IBGZPJMESA-N -1 3 388.431 3.095 20 0 GGADHM c1nc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)oc1-c1ccccc1 ZINC000826518976 608068501 /nfs/dbraw/zinc/06/85/01/608068501.db2.gz FJKIPDHFKVAPFG-IBGZPJMESA-N -1 3 388.431 3.095 20 0 GGADHM CC(C)Oc1cccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000824334657 608069665 /nfs/dbraw/zinc/06/96/65/608069665.db2.gz ZYEMSVDGFBEWKV-FQEVSTJZSA-N -1 3 379.464 3.227 20 0 GGADHM Cc1cc(C)cc(OCCCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826265332 608070741 /nfs/dbraw/zinc/07/07/41/608070741.db2.gz VKWAGMCHWMNHGU-OAQYLSRUSA-N -1 3 393.491 3.326 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cnc(-c2cccnc2)s1 ZINC000826453042 608072197 /nfs/dbraw/zinc/07/21/97/608072197.db2.gz SWCBKKGRVYWNFR-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cnc(-c2cccnc2)s1 ZINC000826453042 608072198 /nfs/dbraw/zinc/07/21/98/608072198.db2.gz SWCBKKGRVYWNFR-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826288927 608072710 /nfs/dbraw/zinc/07/27/10/608072710.db2.gz CFZSFLOGBBQURB-KRWDZBQOSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826288927 608072711 /nfs/dbraw/zinc/07/27/11/608072711.db2.gz CFZSFLOGBBQURB-KRWDZBQOSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826288928 608072806 /nfs/dbraw/zinc/07/28/06/608072806.db2.gz CFZSFLOGBBQURB-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826288928 608072807 /nfs/dbraw/zinc/07/28/07/608072807.db2.gz CFZSFLOGBBQURB-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM O=C(Oc1ccc(Cl)c(F)c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826468554 608074458 /nfs/dbraw/zinc/07/44/58/608074458.db2.gz WXHQGJRBPYRRKT-MRXNPFEDSA-N -1 3 387.802 3.234 20 0 GGADHM C[C@@H]1CC[C@@H](COC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000824907249 608076344 /nfs/dbraw/zinc/07/63/44/608076344.db2.gz HGEFYGBKBVOZCW-KDOFPFPSSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@@H]1CC[C@@H](COC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000824907249 608076345 /nfs/dbraw/zinc/07/63/45/608076345.db2.gz HGEFYGBKBVOZCW-KDOFPFPSSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@@H]1CC[C@@H](COC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000824907562 608076692 /nfs/dbraw/zinc/07/66/92/608076692.db2.gz JBHMVZJDANVGLZ-KUHUBIRLSA-N -1 3 394.431 3.170 20 0 GGADHM CNc1nc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000826090720 608078597 /nfs/dbraw/zinc/07/85/97/608078597.db2.gz MIGAYCSCRCLWOL-UHFFFAOYSA-N -1 3 393.432 3.410 20 0 GGADHM C[C@H](CCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC000824400423 608080124 /nfs/dbraw/zinc/08/01/24/608080124.db2.gz HNOMHYQNLZPSKB-UZLBHIALSA-N -1 3 391.475 3.351 20 0 GGADHM C[C@H](CCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC000824400423 608080125 /nfs/dbraw/zinc/08/01/25/608080125.db2.gz HNOMHYQNLZPSKB-UZLBHIALSA-N -1 3 391.475 3.351 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccc(F)cc1 ZINC000824384788 608083091 /nfs/dbraw/zinc/08/30/91/608083091.db2.gz HNPXJFJNGMOOOW-AUUYWEPGSA-N -1 3 395.438 3.100 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccc(F)cc1 ZINC000824384788 608083092 /nfs/dbraw/zinc/08/30/92/608083092.db2.gz HNPXJFJNGMOOOW-AUUYWEPGSA-N -1 3 395.438 3.100 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1(C)C ZINC000824178613 608083605 /nfs/dbraw/zinc/08/36/05/608083605.db2.gz ZSVSEFFQCUTZAY-KZNAEPCWSA-N -1 3 381.480 3.005 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1(C)C ZINC000824178613 608083606 /nfs/dbraw/zinc/08/36/06/608083606.db2.gz ZSVSEFFQCUTZAY-KZNAEPCWSA-N -1 3 381.480 3.005 20 0 GGADHM O=C(Cc1cccc2ccccc21)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826423352 608084258 /nfs/dbraw/zinc/08/42/58/608084258.db2.gz LBLVDULUCZODIZ-NRFANRHFSA-N -1 3 399.454 3.163 20 0 GGADHM O=C(Cc1cccc2ccccc21)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826423352 608084259 /nfs/dbraw/zinc/08/42/59/608084259.db2.gz LBLVDULUCZODIZ-NRFANRHFSA-N -1 3 399.454 3.163 20 0 GGADHM O=C(c1ccc2sccc2c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473797 608087450 /nfs/dbraw/zinc/08/74/50/608087450.db2.gz OMVALTGJCDAJIZ-QGZVFWFLSA-N -1 3 391.456 3.295 20 0 GGADHM O=C(c1ccc2sccc2c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473797 608087451 /nfs/dbraw/zinc/08/74/51/608087451.db2.gz OMVALTGJCDAJIZ-QGZVFWFLSA-N -1 3 391.456 3.295 20 0 GGADHM CCCCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000825296675 608101160 /nfs/dbraw/zinc/10/11/60/608101160.db2.gz RZOJBHVWFOBZAP-CQSZACIVSA-N -1 3 393.447 3.393 20 0 GGADHM CCCCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000825296675 608101161 /nfs/dbraw/zinc/10/11/61/608101161.db2.gz RZOJBHVWFOBZAP-CQSZACIVSA-N -1 3 393.447 3.393 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000824745263 608102414 /nfs/dbraw/zinc/10/24/14/608102414.db2.gz PZIJBHURTXEFEU-LBPRGKRZSA-N -1 3 399.401 3.108 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000824745263 608102415 /nfs/dbraw/zinc/10/24/15/608102415.db2.gz PZIJBHURTXEFEU-LBPRGKRZSA-N -1 3 399.401 3.108 20 0 GGADHM CC[C@@H](C)n1ncc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825083101 608102501 /nfs/dbraw/zinc/10/25/01/608102501.db2.gz XKMPHHRPSJXRLG-CHWSQXEVSA-N -1 3 395.467 3.318 20 0 GGADHM CC[C@@H](C)n1ncc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825083089 608102640 /nfs/dbraw/zinc/10/26/40/608102640.db2.gz XJYWUNDQVRYUMI-CYBMUJFWSA-N -1 3 379.468 3.483 20 0 GGADHM CC[C@@H](C)n1ncc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825083089 608102641 /nfs/dbraw/zinc/10/26/41/608102641.db2.gz XJYWUNDQVRYUMI-CYBMUJFWSA-N -1 3 379.468 3.483 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826401645 608102938 /nfs/dbraw/zinc/10/29/38/608102938.db2.gz CYJFYUAGHPJHTE-TWGQIWQCSA-N -1 3 381.386 3.354 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826401645 608102939 /nfs/dbraw/zinc/10/29/39/608102939.db2.gz CYJFYUAGHPJHTE-TWGQIWQCSA-N -1 3 381.386 3.354 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1ccc(OC)cc1 ZINC000825797008 608109433 /nfs/dbraw/zinc/10/94/33/608109433.db2.gz TUSBRABTMCFWOF-UHFFFAOYSA-N -1 3 394.464 3.054 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1ccc(OC)cc1 ZINC000825797008 608109434 /nfs/dbraw/zinc/10/94/34/608109434.db2.gz TUSBRABTMCFWOF-UHFFFAOYSA-N -1 3 394.464 3.054 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(c2ccccc2Cl)CC1 ZINC000826401961 608116185 /nfs/dbraw/zinc/11/61/85/608116185.db2.gz KBAZDRPHWUNNMY-MDZDMXLPSA-N -1 3 379.851 3.381 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(c2ccccc2Cl)CC1 ZINC000826401961 608116186 /nfs/dbraw/zinc/11/61/86/608116186.db2.gz KBAZDRPHWUNNMY-MDZDMXLPSA-N -1 3 379.851 3.381 20 0 GGADHM CCN(CCc1cccs1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000825428419 608116433 /nfs/dbraw/zinc/11/64/33/608116433.db2.gz MKGGPQKIJUMYGS-UHFFFAOYSA-N -1 3 385.493 3.177 20 0 GGADHM CCN(CCc1cccs1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825428419 608116434 /nfs/dbraw/zinc/11/64/34/608116434.db2.gz MKGGPQKIJUMYGS-UHFFFAOYSA-N -1 3 385.493 3.177 20 0 GGADHM C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000825020873 608118825 /nfs/dbraw/zinc/11/88/25/608118825.db2.gz MQJBOZVDXJMVQK-NHYWBVRUSA-N -1 3 398.398 3.097 20 0 GGADHM C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000825020873 608118826 /nfs/dbraw/zinc/11/88/26/608118826.db2.gz MQJBOZVDXJMVQK-NHYWBVRUSA-N -1 3 398.398 3.097 20 0 GGADHM CCN(Cc1ccccc1C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825439926 608122150 /nfs/dbraw/zinc/12/21/50/608122150.db2.gz UEYUJYWVPLMSHC-CQSZACIVSA-N -1 3 382.468 3.234 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1NCc1ccco1 ZINC000826441819 608124027 /nfs/dbraw/zinc/12/40/27/608124027.db2.gz WTRCODYSTBXHAO-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1NCc1ccco1 ZINC000826441819 608124028 /nfs/dbraw/zinc/12/40/28/608124028.db2.gz WTRCODYSTBXHAO-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)CC(C)(C)O2 ZINC000826162550 608136496 /nfs/dbraw/zinc/13/64/96/608136496.db2.gz HVTDCGHUQVJDFL-UHFFFAOYSA-N -1 3 395.463 3.218 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)CC(C)(C)O2 ZINC000826162550 608136497 /nfs/dbraw/zinc/13/64/97/608136497.db2.gz HVTDCGHUQVJDFL-UHFFFAOYSA-N -1 3 395.463 3.218 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(C)cc1C ZINC000826161667 608137282 /nfs/dbraw/zinc/13/72/82/608137282.db2.gz UCPDRULUZVYXME-UHFFFAOYSA-N -1 3 395.463 3.080 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C)cc1C ZINC000826161667 608137283 /nfs/dbraw/zinc/13/72/83/608137283.db2.gz UCPDRULUZVYXME-UHFFFAOYSA-N -1 3 395.463 3.080 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000826161502 608137488 /nfs/dbraw/zinc/13/74/88/608137488.db2.gz LROCGOIFNQWORX-UHFFFAOYSA-N -1 3 393.447 3.023 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000826161502 608137489 /nfs/dbraw/zinc/13/74/89/608137489.db2.gz LROCGOIFNQWORX-UHFFFAOYSA-N -1 3 393.447 3.023 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825115454 608137589 /nfs/dbraw/zinc/13/75/89/608137589.db2.gz YZPMZFXLDMVYHZ-HNNXBMFYSA-N -1 3 387.484 3.437 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825115454 608137590 /nfs/dbraw/zinc/13/75/90/608137590.db2.gz YZPMZFXLDMVYHZ-HNNXBMFYSA-N -1 3 387.484 3.437 20 0 GGADHM CC(=O)c1cc(Br)ccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824010661 608140019 /nfs/dbraw/zinc/14/00/19/608140019.db2.gz PCPYSNDGIDHQCN-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1cc(Br)ccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824010661 608140020 /nfs/dbraw/zinc/14/00/20/608140020.db2.gz PCPYSNDGIDHQCN-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM O=C(OCC[C@H]1CCCCO1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826463145 608143633 /nfs/dbraw/zinc/14/36/33/608143633.db2.gz USDPPOVDJGESAY-MRXNPFEDSA-N -1 3 395.419 3.170 20 0 GGADHM O=C(OCC[C@H]1CCCCO1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826463145 608143634 /nfs/dbraw/zinc/14/36/34/608143634.db2.gz USDPPOVDJGESAY-MRXNPFEDSA-N -1 3 395.419 3.170 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cn(C(C)(C)C)nc1C ZINC000825317979 608145343 /nfs/dbraw/zinc/14/53/43/608145343.db2.gz GCHQFOPDOBDEHG-UHFFFAOYSA-N -1 3 381.484 3.179 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cn(C(C)(C)C)nc1C ZINC000825317979 608145344 /nfs/dbraw/zinc/14/53/44/608145344.db2.gz GCHQFOPDOBDEHG-UHFFFAOYSA-N -1 3 381.484 3.179 20 0 GGADHM CN1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029646 608150070 /nfs/dbraw/zinc/15/00/70/608150070.db2.gz VFERIOBYJXPZTO-BBRMVZONSA-N -1 3 391.813 3.051 20 0 GGADHM CN1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029646 608150072 /nfs/dbraw/zinc/15/00/72/608150072.db2.gz VFERIOBYJXPZTO-BBRMVZONSA-N -1 3 391.813 3.051 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000826268213 608150575 /nfs/dbraw/zinc/15/05/75/608150575.db2.gz OHDQMCXXVRNMQH-CZUORRHYSA-N -1 3 384.459 3.290 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000826268213 608150577 /nfs/dbraw/zinc/15/05/77/608150577.db2.gz OHDQMCXXVRNMQH-CZUORRHYSA-N -1 3 384.459 3.290 20 0 GGADHM NC(=NOCc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000826388955 608153071 /nfs/dbraw/zinc/15/30/71/608153071.db2.gz NCEXODJXUJYUPD-UHFFFAOYSA-N -1 3 387.403 3.101 20 0 GGADHM NC(=NOCc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000826388955 608153073 /nfs/dbraw/zinc/15/30/73/608153073.db2.gz NCEXODJXUJYUPD-UHFFFAOYSA-N -1 3 387.403 3.101 20 0 GGADHM CN(C(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825830281 608156113 /nfs/dbraw/zinc/15/61/13/608156113.db2.gz ROXYWCUJDAJBAW-UHFFFAOYSA-N -1 3 379.420 3.099 20 0 GGADHM CN(C(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825830281 608156115 /nfs/dbraw/zinc/15/61/15/608156115.db2.gz ROXYWCUJDAJBAW-UHFFFAOYSA-N -1 3 379.420 3.099 20 0 GGADHM Cc1cccc(C2=CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826296980 608163431 /nfs/dbraw/zinc/16/34/31/608163431.db2.gz QHLVHNMIEBPEIS-MRXNPFEDSA-N -1 3 389.459 3.258 20 0 GGADHM Cc1cccc(C2=CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826296980 608163432 /nfs/dbraw/zinc/16/34/32/608163432.db2.gz QHLVHNMIEBPEIS-MRXNPFEDSA-N -1 3 389.459 3.258 20 0 GGADHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000824715403 608164277 /nfs/dbraw/zinc/16/42/77/608164277.db2.gz SBDZTKAMEBZFGK-KZULUSFZSA-N -1 3 399.401 3.418 20 0 GGADHM C[C@@H]1C[C@H](C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCC1=O ZINC000824865666 608164687 /nfs/dbraw/zinc/16/46/87/608164687.db2.gz IVSQCSGMKNCZEF-IUODEOHRSA-N -1 3 395.488 3.217 20 0 GGADHM O=C(N[C@H]1CC12CCCCC2)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826429115 608165578 /nfs/dbraw/zinc/16/55/78/608165578.db2.gz USSSZLVBSXNBPG-KRWDZBQOSA-N -1 3 393.447 3.491 20 0 GGADHM O=C(N[C@H]1CC12CCCCC2)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826429115 608165579 /nfs/dbraw/zinc/16/55/79/608165579.db2.gz USSSZLVBSXNBPG-KRWDZBQOSA-N -1 3 393.447 3.491 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000825787347 608173155 /nfs/dbraw/zinc/17/31/55/608173155.db2.gz DHODQRUUADQACO-UHFFFAOYSA-N -1 3 389.463 3.444 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000825787347 608173156 /nfs/dbraw/zinc/17/31/56/608173156.db2.gz DHODQRUUADQACO-UHFFFAOYSA-N -1 3 389.463 3.444 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](SC)c1ccccc1 ZINC000825788323 608174174 /nfs/dbraw/zinc/17/41/74/608174174.db2.gz OSFUOODQXLCXPY-MRXNPFEDSA-N -1 3 393.476 3.279 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](SC)c1ccccc1 ZINC000825788323 608174176 /nfs/dbraw/zinc/17/41/76/608174176.db2.gz OSFUOODQXLCXPY-MRXNPFEDSA-N -1 3 393.476 3.279 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc2ncsc2c1 ZINC000825792965 608174392 /nfs/dbraw/zinc/17/43/92/608174392.db2.gz HDRUQIGCUGSZIA-UHFFFAOYSA-N -1 3 390.432 3.098 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc2ncsc2c1 ZINC000825792965 608174394 /nfs/dbraw/zinc/17/43/94/608174394.db2.gz HDRUQIGCUGSZIA-UHFFFAOYSA-N -1 3 390.432 3.098 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCCSC(C)(C)C ZINC000825787282 608176784 /nfs/dbraw/zinc/17/67/84/608176784.db2.gz AJADNKLNKNRGTH-UHFFFAOYSA-N -1 3 387.513 3.487 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCCSC(C)(C)C ZINC000825787282 608176785 /nfs/dbraw/zinc/17/67/85/608176785.db2.gz AJADNKLNKNRGTH-UHFFFAOYSA-N -1 3 387.513 3.487 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1ccc(C)cc1Cl ZINC000825792814 608178854 /nfs/dbraw/zinc/17/88/54/608178854.db2.gz DSQAUVIIALAWON-UHFFFAOYSA-N -1 3 395.854 3.379 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1ccc(C)cc1Cl ZINC000825792814 608178857 /nfs/dbraw/zinc/17/88/57/608178857.db2.gz DSQAUVIIALAWON-UHFFFAOYSA-N -1 3 395.854 3.379 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccnc2ccccc21 ZINC000825797046 608179329 /nfs/dbraw/zinc/17/93/29/608179329.db2.gz UPSWJPSGJVZMIX-UHFFFAOYSA-N -1 3 384.403 3.037 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccnc2ccccc21 ZINC000825797046 608179330 /nfs/dbraw/zinc/17/93/30/608179330.db2.gz UPSWJPSGJVZMIX-UHFFFAOYSA-N -1 3 384.403 3.037 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1csc(CC(C)C)n1 ZINC000825796497 608179607 /nfs/dbraw/zinc/17/96/07/608179607.db2.gz GCKRQWBYTORHJC-UHFFFAOYSA-N -1 3 396.480 3.144 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1csc(CC(C)C)n1 ZINC000825796497 608179609 /nfs/dbraw/zinc/17/96/09/608179609.db2.gz GCKRQWBYTORHJC-UHFFFAOYSA-N -1 3 396.480 3.144 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825226031 608180165 /nfs/dbraw/zinc/18/01/65/608180165.db2.gz YIHFJSLYWDCDSX-UHFFFAOYSA-N -1 3 398.854 3.440 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825226031 608180167 /nfs/dbraw/zinc/18/01/67/608180167.db2.gz YIHFJSLYWDCDSX-UHFFFAOYSA-N -1 3 398.854 3.440 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(Cl)ccc1OC ZINC000825793381 608180660 /nfs/dbraw/zinc/18/06/60/608180660.db2.gz SCVRTSJYJNZGOT-UHFFFAOYSA-N -1 3 397.826 3.151 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(Cl)ccc1OC ZINC000825793381 608180661 /nfs/dbraw/zinc/18/06/61/608180661.db2.gz SCVRTSJYJNZGOT-UHFFFAOYSA-N -1 3 397.826 3.151 20 0 GGADHM C[C@@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713905 608182909 /nfs/dbraw/zinc/18/29/09/608182909.db2.gz KZEFAVUFJKZLIW-GFCCVEGCSA-N -1 3 395.394 3.029 20 0 GGADHM C[C@@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713905 608182911 /nfs/dbraw/zinc/18/29/11/608182911.db2.gz KZEFAVUFJKZLIW-GFCCVEGCSA-N -1 3 395.394 3.029 20 0 GGADHM Cc1onc(-c2ccncc2)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826342998 608184780 /nfs/dbraw/zinc/18/47/80/608184780.db2.gz ITMWIEAGWOZNJM-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM Cc1onc(-c2ccncc2)c1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826342998 608184782 /nfs/dbraw/zinc/18/47/82/608184782.db2.gz ITMWIEAGWOZNJM-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM O=C(OC1CCOCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826462827 608189188 /nfs/dbraw/zinc/18/91/88/608189188.db2.gz KCHWJDIIJYPACP-UHFFFAOYSA-N -1 3 382.445 3.354 20 0 GGADHM O=C(OC1CCOCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826462827 608189190 /nfs/dbraw/zinc/18/91/90/608189190.db2.gz KCHWJDIIJYPACP-UHFFFAOYSA-N -1 3 382.445 3.354 20 0 GGADHM CC1(C)CCC(CC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC1 ZINC000824795768 608189705 /nfs/dbraw/zinc/18/97/05/608189705.db2.gz CWIJGXZDJRXHJQ-UHFFFAOYSA-N -1 3 393.495 3.480 20 0 GGADHM CC1(C)CCC(CC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC1 ZINC000824795768 608189706 /nfs/dbraw/zinc/18/97/06/608189706.db2.gz CWIJGXZDJRXHJQ-UHFFFAOYSA-N -1 3 393.495 3.480 20 0 GGADHM CN1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826028685 608192506 /nfs/dbraw/zinc/19/25/06/608192506.db2.gz FVRAYGIJMMXDNM-ZYHUDNBSSA-N -1 3 396.307 3.487 20 0 GGADHM CN1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826028685 608192507 /nfs/dbraw/zinc/19/25/07/608192507.db2.gz FVRAYGIJMMXDNM-ZYHUDNBSSA-N -1 3 396.307 3.487 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826443998 608192851 /nfs/dbraw/zinc/19/28/51/608192851.db2.gz MQSGAZKKCIBSJK-SJORKVTESA-N -1 3 391.479 3.089 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826443998 608192852 /nfs/dbraw/zinc/19/28/52/608192852.db2.gz MQSGAZKKCIBSJK-SJORKVTESA-N -1 3 391.479 3.089 20 0 GGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826327154 608195872 /nfs/dbraw/zinc/19/58/72/608195872.db2.gz VADAHRGHMLLVMX-UHFFFAOYSA-N -1 3 386.843 3.192 20 0 GGADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826327154 608195874 /nfs/dbraw/zinc/19/58/74/608195874.db2.gz VADAHRGHMLLVMX-UHFFFAOYSA-N -1 3 386.843 3.192 20 0 GGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825059990 608198204 /nfs/dbraw/zinc/19/82/04/608198204.db2.gz MYNGESOHTZRJBT-DJJJIMSYSA-N -1 3 395.463 3.100 20 0 GGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825059990 608198206 /nfs/dbraw/zinc/19/82/06/608198206.db2.gz MYNGESOHTZRJBT-DJJJIMSYSA-N -1 3 395.463 3.100 20 0 GGADHM CCOc1ccccc1OCCCC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000825658854 608200893 /nfs/dbraw/zinc/20/08/93/608200893.db2.gz KXGFSTIADOBOAP-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM CCOc1ccccc1OCCCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000825658854 608200895 /nfs/dbraw/zinc/20/08/95/608200895.db2.gz KXGFSTIADOBOAP-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cnccc1C ZINC000825319036 608204028 /nfs/dbraw/zinc/20/40/28/608204028.db2.gz VZHMKSXFOYWERT-OAHLLOKOSA-N -1 3 379.468 3.253 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cnccc1C ZINC000825319036 608204030 /nfs/dbraw/zinc/20/40/30/608204030.db2.gz VZHMKSXFOYWERT-OAHLLOKOSA-N -1 3 379.468 3.253 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826315045 608204447 /nfs/dbraw/zinc/20/44/47/608204447.db2.gz WOBSOIJYFZZOMS-OAHLLOKOSA-N -1 3 379.468 3.251 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826315045 608204448 /nfs/dbraw/zinc/20/44/48/608204448.db2.gz WOBSOIJYFZZOMS-OAHLLOKOSA-N -1 3 379.468 3.251 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NN2CCCCC2)cc1 ZINC000826255334 608205703 /nfs/dbraw/zinc/20/57/03/608205703.db2.gz UKJLBHIJNPUMHR-UHFFFAOYSA-N -1 3 378.436 3.098 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NN2CCCCC2)cc1 ZINC000826255334 608205704 /nfs/dbraw/zinc/20/57/04/608205704.db2.gz UKJLBHIJNPUMHR-UHFFFAOYSA-N -1 3 378.436 3.098 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncccc1-c1ccccc1 ZINC000824753487 608211285 /nfs/dbraw/zinc/21/12/85/608211285.db2.gz DJJDXIHGOBQSGF-CQSZACIVSA-N -1 3 386.415 3.335 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncccc1-c1ccccc1 ZINC000824753487 608211287 /nfs/dbraw/zinc/21/12/87/608211287.db2.gz DJJDXIHGOBQSGF-CQSZACIVSA-N -1 3 386.415 3.335 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1c(F)cccc1Br ZINC000826176388 608213166 /nfs/dbraw/zinc/21/31/66/608213166.db2.gz NBHFIOISQRBJSX-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1c(F)cccc1Br ZINC000826176388 608213167 /nfs/dbraw/zinc/21/31/67/608213167.db2.gz NBHFIOISQRBJSX-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Oc2ccccc2)nn1 ZINC000825608952 608230339 /nfs/dbraw/zinc/23/03/39/608230339.db2.gz FNZMGKSJXOUPIC-UHFFFAOYSA-N -1 3 390.403 3.427 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Oc2ccccc2)nn1 ZINC000825608952 608230341 /nfs/dbraw/zinc/23/03/41/608230341.db2.gz FNZMGKSJXOUPIC-UHFFFAOYSA-N -1 3 390.403 3.427 20 0 GGADHM FC(F)(F)c1nn(CCCOc2ccc(-c3nn[n-]n3)cc2)c2ccncc21 ZINC000826369366 608230628 /nfs/dbraw/zinc/23/06/28/608230628.db2.gz ZIKKQMRJYOGHSU-UHFFFAOYSA-N -1 3 389.341 3.099 20 0 GGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(Oc3ccccc3)nn2)n1 ZINC000826324451 608231131 /nfs/dbraw/zinc/23/11/31/608231131.db2.gz RKLRLHHRPCQNIX-UHFFFAOYSA-N -1 3 392.448 3.148 20 0 GGADHM c1ccc(CCCOC2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826521217 608232477 /nfs/dbraw/zinc/23/24/77/608232477.db2.gz DVFKIGYIXPLXHB-UHFFFAOYSA-N -1 3 386.459 3.253 20 0 GGADHM c1ccc(CCCOC2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826521217 608232479 /nfs/dbraw/zinc/23/24/79/608232479.db2.gz DVFKIGYIXPLXHB-UHFFFAOYSA-N -1 3 386.459 3.253 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826506390 608234762 /nfs/dbraw/zinc/23/47/62/608234762.db2.gz UBIXJOQALAQZPH-RDTXWAMCSA-N -1 3 394.385 3.005 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826506390 608234763 /nfs/dbraw/zinc/23/47/63/608234763.db2.gz UBIXJOQALAQZPH-RDTXWAMCSA-N -1 3 394.385 3.005 20 0 GGADHM Cc1cc([C@@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)ccc1F ZINC000826266105 608235059 /nfs/dbraw/zinc/23/50/59/608235059.db2.gz CFMOBUPCKTZDCN-IBGZPJMESA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cc([C@@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)ccc1F ZINC000826266105 608235061 /nfs/dbraw/zinc/23/50/61/608235061.db2.gz CFMOBUPCKTZDCN-IBGZPJMESA-N -1 3 390.422 3.440 20 0 GGADHM O=C(CSCc1cccc(F)c1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826420409 608240584 /nfs/dbraw/zinc/24/05/84/608240584.db2.gz LJBIJBSVYOFDLW-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM O=C(CSCc1cccc(F)c1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826420409 608240586 /nfs/dbraw/zinc/24/05/86/608240586.db2.gz LJBIJBSVYOFDLW-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825192371 608245841 /nfs/dbraw/zinc/24/58/41/608245841.db2.gz GQHBNUUUGPUBTK-DZGCQCFKSA-N -1 3 381.436 3.442 20 0 GGADHM Cc1cccc([C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccn2)c1 ZINC000826297082 608245979 /nfs/dbraw/zinc/24/59/79/608245979.db2.gz UQNJISWCZGHQDI-KRWDZBQOSA-N -1 3 376.445 3.151 20 0 GGADHM Cc1cccc([C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccn2)c1 ZINC000826297082 608245981 /nfs/dbraw/zinc/24/59/81/608245981.db2.gz UQNJISWCZGHQDI-KRWDZBQOSA-N -1 3 376.445 3.151 20 0 GGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000825193662 608246068 /nfs/dbraw/zinc/24/60/68/608246068.db2.gz MNSOJZAWLOYNBL-UONOGXRCSA-N -1 3 381.436 3.442 20 0 GGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000825193662 608246070 /nfs/dbraw/zinc/24/60/70/608246070.db2.gz MNSOJZAWLOYNBL-UONOGXRCSA-N -1 3 381.436 3.442 20 0 GGADHM CC(C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)=C1CCCC1 ZINC000824053422 608246732 /nfs/dbraw/zinc/24/67/32/608246732.db2.gz YELZMTOYBUDURA-UHFFFAOYSA-N -1 3 379.420 3.227 20 0 GGADHM CC(C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)=C1CCCC1 ZINC000824053422 608246733 /nfs/dbraw/zinc/24/67/33/608246733.db2.gz YELZMTOYBUDURA-UHFFFAOYSA-N -1 3 379.420 3.227 20 0 GGADHM COc1ccc2c(c1)CCCCN2C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826212136 608251349 /nfs/dbraw/zinc/25/13/49/608251349.db2.gz HNDULQZUUDQFSC-CQSZACIVSA-N -1 3 393.447 3.012 20 0 GGADHM COc1ccc2c(c1)CCCCN2C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826212136 608251350 /nfs/dbraw/zinc/25/13/50/608251350.db2.gz HNDULQZUUDQFSC-CQSZACIVSA-N -1 3 393.447 3.012 20 0 GGADHM Cc1cccnc1COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826308277 608253089 /nfs/dbraw/zinc/25/30/89/608253089.db2.gz RHQKALLIOCQJGX-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1n[nH]c(C=Cc2ccc(C)o2)n1 ZINC000826173389 608262336 /nfs/dbraw/zinc/26/23/36/608262336.db2.gz BISFCEHWUPXRRO-BQYQJAHWSA-N -1 3 395.448 3.358 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C[C@H]1C ZINC000824947044 608266119 /nfs/dbraw/zinc/26/61/19/608266119.db2.gz MCVAINIUVCRPGS-CHWSQXEVSA-N -1 3 397.508 3.424 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C[C@H]1C ZINC000824947044 608266121 /nfs/dbraw/zinc/26/61/21/608266121.db2.gz MCVAINIUVCRPGS-CHWSQXEVSA-N -1 3 397.508 3.424 20 0 GGADHM CCCOC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000825332861 608276931 /nfs/dbraw/zinc/27/69/31/608276931.db2.gz NQTHREQBCKPRSA-HSNDNRACSA-N -1 3 392.415 3.118 20 0 GGADHM CCCOC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000825332861 608276933 /nfs/dbraw/zinc/27/69/33/608276933.db2.gz NQTHREQBCKPRSA-HSNDNRACSA-N -1 3 392.415 3.118 20 0 GGADHM COc1ccc([C@H]2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826190978 608280248 /nfs/dbraw/zinc/28/02/48/608280248.db2.gz SMILZLABNWKPFK-INIZCTEOSA-N -1 3 376.464 3.143 20 0 GGADHM COc1ccc([C@H]2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)cc1 ZINC000826190978 608280250 /nfs/dbraw/zinc/28/02/50/608280250.db2.gz SMILZLABNWKPFK-INIZCTEOSA-N -1 3 376.464 3.143 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274890 608281935 /nfs/dbraw/zinc/28/19/35/608281935.db2.gz IERPREWQYQBKMP-HNNXBMFYSA-N -1 3 391.262 3.455 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274890 608281936 /nfs/dbraw/zinc/28/19/36/608281936.db2.gz IERPREWQYQBKMP-HNNXBMFYSA-N -1 3 391.262 3.455 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000824334226 608287501 /nfs/dbraw/zinc/28/75/01/608287501.db2.gz SGNOPPAWRQFAFA-IBGZPJMESA-N -1 3 394.479 3.073 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000824334226 608287503 /nfs/dbraw/zinc/28/75/03/608287503.db2.gz SGNOPPAWRQFAFA-IBGZPJMESA-N -1 3 394.479 3.073 20 0 GGADHM Cc1nnc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)s1 ZINC000826335239 608290409 /nfs/dbraw/zinc/29/04/09/608290409.db2.gz DUHQLRPTFXTPGS-UHFFFAOYSA-N -1 3 379.449 3.218 20 0 GGADHM Cc1nnc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)s1 ZINC000826335239 608290411 /nfs/dbraw/zinc/29/04/11/608290411.db2.gz DUHQLRPTFXTPGS-UHFFFAOYSA-N -1 3 379.449 3.218 20 0 GGADHM Fc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c(OCC(F)F)c1 ZINC000826375625 608290468 /nfs/dbraw/zinc/29/04/68/608290468.db2.gz VFOKBFARSVSUOY-UHFFFAOYSA-N -1 3 394.382 3.459 20 0 GGADHM Fc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c(OCC(F)F)c1 ZINC000826375625 608290470 /nfs/dbraw/zinc/29/04/70/608290470.db2.gz VFOKBFARSVSUOY-UHFFFAOYSA-N -1 3 394.382 3.459 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)Oc2ccc(Br)cc2)n1 ZINC000826276222 608292986 /nfs/dbraw/zinc/29/29/86/608292986.db2.gz XYJZMMFAXDRHIW-NSHDSACASA-N -1 3 389.257 3.212 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](C)Oc2ccc(Br)cc2)n1 ZINC000826276222 608292988 /nfs/dbraw/zinc/29/29/88/608292988.db2.gz XYJZMMFAXDRHIW-NSHDSACASA-N -1 3 389.257 3.212 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000823826015 608295397 /nfs/dbraw/zinc/29/53/97/608295397.db2.gz AAPSZTVQJSDBPL-OLZOCXBDSA-N -1 3 392.301 3.272 20 0 GGADHM COC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(F)c(F)c1 ZINC000826152369 608297411 /nfs/dbraw/zinc/29/74/11/608297411.db2.gz XMUBRSNJWNJTHS-QGZVFWFLSA-N -1 3 382.374 3.493 20 0 GGADHM COC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(F)c(F)c1 ZINC000826152369 608297412 /nfs/dbraw/zinc/29/74/12/608297412.db2.gz XMUBRSNJWNJTHS-QGZVFWFLSA-N -1 3 382.374 3.493 20 0 GGADHM CCCn1c(C)nnc1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825357014 608298625 /nfs/dbraw/zinc/29/86/25/608298625.db2.gz UXBFMVSERVPULW-UHFFFAOYSA-N -1 3 395.439 3.211 20 0 GGADHM CCCn1c(C)nnc1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825357014 608298626 /nfs/dbraw/zinc/29/86/26/608298626.db2.gz UXBFMVSERVPULW-UHFFFAOYSA-N -1 3 395.439 3.211 20 0 GGADHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000826292933 608300134 /nfs/dbraw/zinc/30/01/34/608300134.db2.gz SUBVUTTWVDEROG-UHFFFAOYSA-N -1 3 382.401 3.203 20 0 GGADHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000826292933 608300136 /nfs/dbraw/zinc/30/01/36/608300136.db2.gz SUBVUTTWVDEROG-UHFFFAOYSA-N -1 3 382.401 3.203 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Cl)c(F)c1 ZINC000826503631 608302607 /nfs/dbraw/zinc/30/26/07/608302607.db2.gz BQRVKOLFRBHENG-MRXNPFEDSA-N -1 3 388.834 3.079 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(Cl)c(F)c1 ZINC000826503631 608302608 /nfs/dbraw/zinc/30/26/08/608302608.db2.gz BQRVKOLFRBHENG-MRXNPFEDSA-N -1 3 388.834 3.079 20 0 GGADHM CS[C@H](C)CCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826225985 608308679 /nfs/dbraw/zinc/30/86/79/608308679.db2.gz PJLQRHJHZLDEEE-LLVKDONJSA-N -1 3 385.497 3.139 20 0 GGADHM Cc1nc(Cl)ccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826326262 608309832 /nfs/dbraw/zinc/30/98/32/608309832.db2.gz IEXLJPBYDKZCBZ-UHFFFAOYSA-N -1 3 377.235 3.082 20 0 GGADHM Cc1nc(Cl)ccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826326262 608309834 /nfs/dbraw/zinc/30/98/34/608309834.db2.gz IEXLJPBYDKZCBZ-UHFFFAOYSA-N -1 3 377.235 3.082 20 0 GGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000826464322 608310237 /nfs/dbraw/zinc/31/02/37/608310237.db2.gz RVXCPXQUDVMTFN-MRXNPFEDSA-N -1 3 382.395 3.257 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000826464322 608310239 /nfs/dbraw/zinc/31/02/39/608310239.db2.gz RVXCPXQUDVMTFN-MRXNPFEDSA-N -1 3 382.395 3.257 20 0 GGADHM CCN(CCC(F)(F)F)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825419058 608311597 /nfs/dbraw/zinc/31/15/97/608311597.db2.gz FOLYNBCYJOTZQI-UHFFFAOYSA-N -1 3 379.390 3.135 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000824480111 608314172 /nfs/dbraw/zinc/31/41/72/608314172.db2.gz TUECCTIOKYIHMG-JTQLQIEISA-N -1 3 375.404 3.114 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000824480111 608314173 /nfs/dbraw/zinc/31/41/73/608314173.db2.gz TUECCTIOKYIHMG-JTQLQIEISA-N -1 3 375.404 3.114 20 0 GGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824450524 608314522 /nfs/dbraw/zinc/31/45/22/608314522.db2.gz XGFOKHTVVCJHOU-OAHLLOKOSA-N -1 3 379.464 3.116 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2c2ccccn2)c1-c1nnn[n-]1 ZINC000826332110 608315312 /nfs/dbraw/zinc/31/53/12/608315312.db2.gz JYZOZZGHNFJQJD-SFHVURJKSA-N -1 3 386.463 3.093 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CCS[C@@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826332352 608315658 /nfs/dbraw/zinc/31/56/58/608315658.db2.gz RARGLLRVWBMLIX-SJLPKXTDSA-N -1 3 395.536 3.221 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CCS[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826332352 608315660 /nfs/dbraw/zinc/31/56/60/608315660.db2.gz RARGLLRVWBMLIX-SJLPKXTDSA-N -1 3 395.536 3.221 20 0 GGADHM O=C(O[C@@H]1CCC[C@H]1Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826461681 608318963 /nfs/dbraw/zinc/31/89/63/608318963.db2.gz DAGCWJWTOXYVFV-SUMWQHHRSA-N -1 3 383.839 3.483 20 0 GGADHM O=C(O[C@@H]1CCC[C@H]1Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826461681 608318965 /nfs/dbraw/zinc/31/89/65/608318965.db2.gz DAGCWJWTOXYVFV-SUMWQHHRSA-N -1 3 383.839 3.483 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C(=O)N2CCCC2)cc1C ZINC000826170702 608320569 /nfs/dbraw/zinc/32/05/69/608320569.db2.gz LWRSLNJQJQLMRI-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C(=O)N2CCCC2)cc1C ZINC000826170702 608320571 /nfs/dbraw/zinc/32/05/71/608320571.db2.gz LWRSLNJQJQLMRI-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1cc(NCc2ccc(-c3nnn[n-]3)cc2OC)ccc1Br ZINC000826180708 608321302 /nfs/dbraw/zinc/32/13/02/608321302.db2.gz TUVBHIXNJNPOLC-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cc(NCc2ccc(-c3nn[n-]n3)cc2OC)ccc1Br ZINC000826180708 608321303 /nfs/dbraw/zinc/32/13/03/608321303.db2.gz TUVBHIXNJNPOLC-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cnn(-c2ccccc2)c1 ZINC000826173445 608322420 /nfs/dbraw/zinc/32/24/20/608322420.db2.gz DUTWWPZJCGNNPH-UHFFFAOYSA-N -1 3 378.461 3.494 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cnn(-c2ccccc2)c1 ZINC000826173445 608322422 /nfs/dbraw/zinc/32/24/22/608322422.db2.gz DUTWWPZJCGNNPH-UHFFFAOYSA-N -1 3 378.461 3.494 20 0 GGADHM O=C(COC(=O)c1cc2ccccc2o1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826415665 608322506 /nfs/dbraw/zinc/32/25/06/608322506.db2.gz NUCAFHBBNIHQGG-UHFFFAOYSA-N -1 3 397.778 3.062 20 0 GGADHM O=C(COC(=O)c1cc2ccccc2o1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826415665 608322508 /nfs/dbraw/zinc/32/25/08/608322508.db2.gz NUCAFHBBNIHQGG-UHFFFAOYSA-N -1 3 397.778 3.062 20 0 GGADHM O=C(CCCn1cccc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826406957 608328857 /nfs/dbraw/zinc/32/88/57/608328857.db2.gz UYOOTKQBLILWSQ-UHFFFAOYSA-N -1 3 386.459 3.432 20 0 GGADHM O=C(CCCn1cccc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826406957 608328859 /nfs/dbraw/zinc/32/88/59/608328859.db2.gz UYOOTKQBLILWSQ-UHFFFAOYSA-N -1 3 386.459 3.432 20 0 GGADHM Cn1ncc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C1CC1 ZINC000826365898 608329861 /nfs/dbraw/zinc/32/98/61/608329861.db2.gz IYBQCGZLOWXXCV-UHFFFAOYSA-N -1 3 399.458 3.075 20 0 GGADHM Cn1ncc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C1CC1 ZINC000826365898 608329863 /nfs/dbraw/zinc/32/98/63/608329863.db2.gz IYBQCGZLOWXXCV-UHFFFAOYSA-N -1 3 399.458 3.075 20 0 GGADHM O=C(c1nc2ccccc2s1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826475499 608330807 /nfs/dbraw/zinc/33/08/07/608330807.db2.gz HZSOLPREZMQSTR-UHFFFAOYSA-N -1 3 376.445 3.281 20 0 GGADHM O=C(c1nc2ccccc2s1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826475499 608330809 /nfs/dbraw/zinc/33/08/09/608330809.db2.gz HZSOLPREZMQSTR-UHFFFAOYSA-N -1 3 376.445 3.281 20 0 GGADHM CC(C)CC[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824243999 608331170 /nfs/dbraw/zinc/33/11/70/608331170.db2.gz OXBAPGQSYLZUJK-GUYCJALGSA-N -1 3 395.504 3.030 20 0 GGADHM CC(C)CC[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824243999 608331172 /nfs/dbraw/zinc/33/11/72/608331172.db2.gz OXBAPGQSYLZUJK-GUYCJALGSA-N -1 3 395.504 3.030 20 0 GGADHM CC(C)C[C@H]1CCCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824245228 608334185 /nfs/dbraw/zinc/33/41/85/608334185.db2.gz WWEFAVZMKOIEFS-MRXNPFEDSA-N -1 3 395.504 3.126 20 0 GGADHM CC(C)C[C@H]1CCCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824245228 608334187 /nfs/dbraw/zinc/33/41/87/608334187.db2.gz WWEFAVZMKOIEFS-MRXNPFEDSA-N -1 3 395.504 3.126 20 0 GGADHM CCCCCC(C)(C)CNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825268652 608337665 /nfs/dbraw/zinc/33/76/65/608337665.db2.gz XHMNRFUAHGIYAT-UHFFFAOYSA-N -1 3 383.493 3.032 20 0 GGADHM CCCCCC(C)(C)CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825268652 608337667 /nfs/dbraw/zinc/33/76/67/608337667.db2.gz XHMNRFUAHGIYAT-UHFFFAOYSA-N -1 3 383.493 3.032 20 0 GGADHM CC(C)CC[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824243016 608338395 /nfs/dbraw/zinc/33/83/95/608338395.db2.gz CPFFOINGPDJZMD-MRXNPFEDSA-N -1 3 395.504 3.126 20 0 GGADHM CC(C)CC[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824243016 608338397 /nfs/dbraw/zinc/33/83/97/608338397.db2.gz CPFFOINGPDJZMD-MRXNPFEDSA-N -1 3 395.504 3.126 20 0 GGADHM CC(C)c1ccc(C[C@@H](C)NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824458302 608343457 /nfs/dbraw/zinc/34/34/57/608343457.db2.gz VJHBRSNKFMFBFD-OAHLLOKOSA-N -1 3 399.520 3.041 20 0 GGADHM CC(C)c1ccc(C[C@@H](C)NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824458302 608343458 /nfs/dbraw/zinc/34/34/58/608343458.db2.gz VJHBRSNKFMFBFD-OAHLLOKOSA-N -1 3 399.520 3.041 20 0 GGADHM CCN(C(=O)CO[C@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372129 608343723 /nfs/dbraw/zinc/34/37/23/608343723.db2.gz QXXACKSKPDJOND-JSGCOSHPSA-N -1 3 377.876 3.468 20 0 GGADHM CCN(C(=O)CO[C@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372129 608343724 /nfs/dbraw/zinc/34/37/24/608343724.db2.gz QXXACKSKPDJOND-JSGCOSHPSA-N -1 3 377.876 3.468 20 0 GGADHM CCN(C(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367273 608346919 /nfs/dbraw/zinc/34/69/19/608346919.db2.gz MLMQOICTHOSKKL-INIZCTEOSA-N -1 3 387.802 3.016 20 0 GGADHM CCN(C(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367273 608346921 /nfs/dbraw/zinc/34/69/21/608346921.db2.gz MLMQOICTHOSKKL-INIZCTEOSA-N -1 3 387.802 3.016 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1[nH]c2ccccc2c1Cl ZINC000826172126 608348181 /nfs/dbraw/zinc/34/81/81/608348181.db2.gz OGLVOZVCJCJYNB-UHFFFAOYSA-N -1 3 383.795 3.367 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1[nH]c2ccccc2c1Cl ZINC000826172126 608348182 /nfs/dbraw/zinc/34/81/82/608348182.db2.gz OGLVOZVCJCJYNB-UHFFFAOYSA-N -1 3 383.795 3.367 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccccc1N1CCCC1 ZINC000826167537 608350258 /nfs/dbraw/zinc/35/02/58/608350258.db2.gz IFYLISRJYYAHSG-UHFFFAOYSA-N -1 3 378.480 3.108 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826171438 608350852 /nfs/dbraw/zinc/35/08/52/608350852.db2.gz NOTCNMKQQROZEM-UONOGXRCSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826171438 608350854 /nfs/dbraw/zinc/35/08/54/608350854.db2.gz NOTCNMKQQROZEM-UONOGXRCSA-N -1 3 386.358 3.000 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825733676 608358482 /nfs/dbraw/zinc/35/84/82/608358482.db2.gz IFUGXLGROWTEGI-CQSZACIVSA-N -1 3 391.479 3.259 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825733676 608358484 /nfs/dbraw/zinc/35/84/84/608358484.db2.gz IFUGXLGROWTEGI-CQSZACIVSA-N -1 3 391.479 3.259 20 0 GGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825159798 608360790 /nfs/dbraw/zinc/36/07/90/608360790.db2.gz UGKSIGRKOSBLCK-KRWDZBQOSA-N -1 3 382.420 3.085 20 0 GGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825159798 608360792 /nfs/dbraw/zinc/36/07/92/608360792.db2.gz UGKSIGRKOSBLCK-KRWDZBQOSA-N -1 3 382.420 3.085 20 0 GGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccc(Cl)cc2n1C ZINC000824613595 608361371 /nfs/dbraw/zinc/36/13/71/608361371.db2.gz VLZAQZQKVZCJCF-SNVBAGLBSA-N -1 3 385.834 3.397 20 0 GGADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccc(Cl)cc2n1C ZINC000824613595 608361374 /nfs/dbraw/zinc/36/13/74/608361374.db2.gz VLZAQZQKVZCJCF-SNVBAGLBSA-N -1 3 385.834 3.397 20 0 GGADHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824764237 608364067 /nfs/dbraw/zinc/36/40/67/608364067.db2.gz UQXJKTDGHFPJDW-LLVKDONJSA-N -1 3 391.884 3.121 20 0 GGADHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824764237 608364069 /nfs/dbraw/zinc/36/40/69/608364069.db2.gz UQXJKTDGHFPJDW-LLVKDONJSA-N -1 3 391.884 3.121 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](c2ncc[nH]2)C1 ZINC000826374842 608378355 /nfs/dbraw/zinc/37/83/55/608378355.db2.gz NXNQVXMGYVCYBA-JTQLQIEISA-N -1 3 398.833 3.315 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](c2ncc[nH]2)C1 ZINC000826374842 608378357 /nfs/dbraw/zinc/37/83/57/608378357.db2.gz NXNQVXMGYVCYBA-JTQLQIEISA-N -1 3 398.833 3.315 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCc2c1cccc2O ZINC000826268232 608381615 /nfs/dbraw/zinc/38/16/15/608381615.db2.gz PCHKUWFCHWWQLD-MRXNPFEDSA-N -1 3 376.395 3.089 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCc2c1cccc2O ZINC000826268232 608381618 /nfs/dbraw/zinc/38/16/18/608381618.db2.gz PCHKUWFCHWWQLD-MRXNPFEDSA-N -1 3 376.395 3.089 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823967894 608381830 /nfs/dbraw/zinc/38/18/30/608381830.db2.gz SIDRAMJMAXEHLE-ZDUSSCGKSA-N -1 3 395.488 3.256 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823967894 608381831 /nfs/dbraw/zinc/38/18/31/608381831.db2.gz SIDRAMJMAXEHLE-ZDUSSCGKSA-N -1 3 395.488 3.256 20 0 GGADHM c1coc(CN(CCCOc2cccc(-c3nn[n-]n3)c2)Cc2cccnc2)c1 ZINC000826525363 608383468 /nfs/dbraw/zinc/38/34/68/608383468.db2.gz GXYUIWUCTIVSSP-UHFFFAOYSA-N -1 3 390.447 3.326 20 0 GGADHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc2n[nH]cc21 ZINC000826269352 608384108 /nfs/dbraw/zinc/38/41/08/608384108.db2.gz JDJUSOSDEWGTRE-UHFFFAOYSA-N -1 3 391.435 3.239 20 0 GGADHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc2n[nH]cc21 ZINC000826269352 608384110 /nfs/dbraw/zinc/38/41/10/608384110.db2.gz JDJUSOSDEWGTRE-UHFFFAOYSA-N -1 3 391.435 3.239 20 0 GGADHM O=C(CCN1CCC=C(F)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826407484 608385415 /nfs/dbraw/zinc/38/54/15/608385415.db2.gz ONIJIGSSBHEVSQ-UHFFFAOYSA-N -1 3 390.488 3.085 20 0 GGADHM O=C(CCN1CCC=C(F)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826407484 608385417 /nfs/dbraw/zinc/38/54/17/608385417.db2.gz ONIJIGSSBHEVSQ-UHFFFAOYSA-N -1 3 390.488 3.085 20 0 GGADHM O=C(NCc1cccc(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826442772 608393891 /nfs/dbraw/zinc/39/38/91/608393891.db2.gz KVNNKQCNXOOOJA-UHFFFAOYSA-N -1 3 378.411 3.005 20 0 GGADHM O=C(NCc1cccc(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826442772 608393893 /nfs/dbraw/zinc/39/38/93/608393893.db2.gz KVNNKQCNXOOOJA-UHFFFAOYSA-N -1 3 378.411 3.005 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1F)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000825976929 608395953 /nfs/dbraw/zinc/39/59/53/608395953.db2.gz RKRSIHNKVBDZOO-IBGZPJMESA-N -1 3 395.417 3.100 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1F)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000825976929 608395955 /nfs/dbraw/zinc/39/59/55/608395955.db2.gz RKRSIHNKVBDZOO-IBGZPJMESA-N -1 3 395.417 3.100 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826483081 608396718 /nfs/dbraw/zinc/39/67/18/608396718.db2.gz ABTNYMLWTSHHFG-KPKJPENVSA-N -1 3 387.421 3.304 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826483081 608396720 /nfs/dbraw/zinc/39/67/20/608396720.db2.gz ABTNYMLWTSHHFG-KPKJPENVSA-N -1 3 387.421 3.304 20 0 GGADHM Fc1c(CN2CCc3cccc(Br)c3C2)cccc1-c1nnn[n-]1 ZINC000826371054 608397035 /nfs/dbraw/zinc/39/70/35/608397035.db2.gz QIKBAOCHJQWPJZ-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1c(CN2CCc3cccc(Br)c3C2)cccc1-c1nn[n-]n1 ZINC000826371054 608397036 /nfs/dbraw/zinc/39/70/36/608397036.db2.gz QIKBAOCHJQWPJZ-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Cc1ccc(S(=O)(=O)CCCOc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000826292966 608402822 /nfs/dbraw/zinc/40/28/22/608402822.db2.gz VEHQAACGMRYWGG-UHFFFAOYSA-N -1 3 386.477 3.035 20 0 GGADHM Nc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000826396068 608403811 /nfs/dbraw/zinc/40/38/11/608403811.db2.gz FJKHCDSOZXCYJC-UHFFFAOYSA-N -1 3 385.840 3.445 20 0 GGADHM Nc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000826396068 608403812 /nfs/dbraw/zinc/40/38/12/608403812.db2.gz FJKHCDSOZXCYJC-UHFFFAOYSA-N -1 3 385.840 3.445 20 0 GGADHM COC1(C)CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826143832 608411879 /nfs/dbraw/zinc/41/18/79/608411879.db2.gz RKANYLXXCOWLGB-UHFFFAOYSA-N -1 3 376.823 3.213 20 0 GGADHM COC1(C)CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826143832 608411881 /nfs/dbraw/zinc/41/18/81/608411881.db2.gz RKANYLXXCOWLGB-UHFFFAOYSA-N -1 3 376.823 3.213 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(Cl)c1 ZINC000824633263 608421980 /nfs/dbraw/zinc/42/19/80/608421980.db2.gz JIMUXYYPNUMEJU-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(Cl)c1 ZINC000824633263 608421981 /nfs/dbraw/zinc/42/19/81/608421981.db2.gz JIMUXYYPNUMEJU-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM CC(C)(C)CN(CC(C)(C)C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824086004 608422585 /nfs/dbraw/zinc/42/25/85/608422585.db2.gz IHBQPLFPOIVBAI-UHFFFAOYSA-N -1 3 397.520 3.230 20 0 GGADHM CC(C)(C)CN(CC(C)(C)C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824086004 608422587 /nfs/dbraw/zinc/42/25/87/608422587.db2.gz IHBQPLFPOIVBAI-UHFFFAOYSA-N -1 3 397.520 3.230 20 0 GGADHM O=C(NCC1(C2CC2)CCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826433677 608426343 /nfs/dbraw/zinc/42/63/43/608426343.db2.gz ODKLYHHSBAIDAG-UHFFFAOYSA-N -1 3 378.480 3.246 20 0 GGADHM O=C(NCC1(C2CC2)CCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826433677 608426346 /nfs/dbraw/zinc/42/63/46/608426346.db2.gz ODKLYHHSBAIDAG-UHFFFAOYSA-N -1 3 378.480 3.246 20 0 GGADHM CCc1ccnc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000825727922 608426542 /nfs/dbraw/zinc/42/65/42/608426542.db2.gz FBLNZWNVYRTEGH-UHFFFAOYSA-N -1 3 387.403 3.264 20 0 GGADHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825141768 608430382 /nfs/dbraw/zinc/43/03/82/608430382.db2.gz OXTKPJDHDGAHGT-IAGOWNOFSA-N -1 3 385.855 3.475 20 0 GGADHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825141768 608430383 /nfs/dbraw/zinc/43/03/83/608430383.db2.gz OXTKPJDHDGAHGT-IAGOWNOFSA-N -1 3 385.855 3.475 20 0 GGADHM Cc1cc(Br)cc2c1CN(C(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826256580 608430778 /nfs/dbraw/zinc/43/07/78/608430778.db2.gz QHBYUNWEDXXBDY-UHFFFAOYSA-N -1 3 398.264 3.136 20 0 GGADHM Cc1cc(Br)cc2c1CN(C(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826256580 608430779 /nfs/dbraw/zinc/43/07/79/608430779.db2.gz QHBYUNWEDXXBDY-UHFFFAOYSA-N -1 3 398.264 3.136 20 0 GGADHM Cc1cc(C(=O)CCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(C)s1 ZINC000826257343 608435002 /nfs/dbraw/zinc/43/50/02/608435002.db2.gz YIWYFMLTEOMAHI-UHFFFAOYSA-N -1 3 388.424 3.390 20 0 GGADHM Cc1cc(C(=O)CCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(C)s1 ZINC000826257343 608435004 /nfs/dbraw/zinc/43/50/04/608435004.db2.gz YIWYFMLTEOMAHI-UHFFFAOYSA-N -1 3 388.424 3.390 20 0 GGADHM CCOc1ccccc1[C@H](C)NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825653330 608436353 /nfs/dbraw/zinc/43/63/53/608436353.db2.gz ASLWYGBWUPNEKE-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM CCOc1ccccc1[C@H](C)NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825653330 608436355 /nfs/dbraw/zinc/43/63/55/608436355.db2.gz ASLWYGBWUPNEKE-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM Cc1nc(-c2cccnc2)cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826323117 608441714 /nfs/dbraw/zinc/44/17/14/608441714.db2.gz QVBBRNDFMXSHFV-UHFFFAOYSA-N -1 3 396.458 3.321 20 0 GGADHM Cc1nc(-c2cccnc2)cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826323117 608441716 /nfs/dbraw/zinc/44/17/16/608441716.db2.gz QVBBRNDFMXSHFV-UHFFFAOYSA-N -1 3 396.458 3.321 20 0 GGADHM O=C(CCOc1cccc(Cl)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826408141 608441930 /nfs/dbraw/zinc/44/19/30/608441930.db2.gz RGQVFVKVHRJXNZ-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM O=C(CCOc1cccc(Cl)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826408141 608441931 /nfs/dbraw/zinc/44/19/31/608441931.db2.gz RGQVFVKVHRJXNZ-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824739528 608447875 /nfs/dbraw/zinc/44/78/75/608447875.db2.gz YEDOZRUUMSYDND-VIFPVBQESA-N -1 3 394.765 3.309 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824739528 608447877 /nfs/dbraw/zinc/44/78/77/608447877.db2.gz YEDOZRUUMSYDND-VIFPVBQESA-N -1 3 394.765 3.309 20 0 GGADHM Cc1c(Cl)cccc1OCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826236986 608448233 /nfs/dbraw/zinc/44/82/33/608448233.db2.gz KEWCWDOTLZUKQJ-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1c(Cl)cccc1OCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826236986 608448235 /nfs/dbraw/zinc/44/82/35/608448235.db2.gz KEWCWDOTLZUKQJ-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1c(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)sc2nccn12 ZINC000826234283 608448483 /nfs/dbraw/zinc/44/84/83/608448483.db2.gz OTGQNPYCOVAXLI-UHFFFAOYSA-N -1 3 381.465 3.187 20 0 GGADHM Cc1c(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)sc2nccn12 ZINC000826234283 608448484 /nfs/dbraw/zinc/44/84/84/608448484.db2.gz OTGQNPYCOVAXLI-UHFFFAOYSA-N -1 3 381.465 3.187 20 0 GGADHM CC[C@H](CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825120117 608449667 /nfs/dbraw/zinc/44/96/67/608449667.db2.gz HQJUSFVLPUZGGS-MRXNPFEDSA-N -1 3 392.507 3.434 20 0 GGADHM CC[C@H](CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825120117 608449668 /nfs/dbraw/zinc/44/96/68/608449668.db2.gz HQJUSFVLPUZGGS-MRXNPFEDSA-N -1 3 392.507 3.434 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(-c2cscn2)c1 ZINC000826466711 608450735 /nfs/dbraw/zinc/45/07/35/608450735.db2.gz PYOXFHBVHHCLGH-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(-c2cscn2)c1 ZINC000826466711 608450737 /nfs/dbraw/zinc/45/07/37/608450737.db2.gz PYOXFHBVHHCLGH-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825654167 608458505 /nfs/dbraw/zinc/45/85/05/608458505.db2.gz QCHPWFFIRBNQNO-CQSZACIVSA-N -1 3 386.481 3.006 20 0 GGADHM C[C@H](C(=O)NCC1CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824039077 608459183 /nfs/dbraw/zinc/45/91/83/608459183.db2.gz CKZOTTYJDOVJIP-MRXNPFEDSA-N -1 3 394.523 3.041 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826209016 608459977 /nfs/dbraw/zinc/45/99/77/608459977.db2.gz JLXJNEJELJBJGL-SNVBAGLBSA-N -1 3 393.369 3.467 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826209016 608459979 /nfs/dbraw/zinc/45/99/79/608459979.db2.gz JLXJNEJELJBJGL-SNVBAGLBSA-N -1 3 393.369 3.467 20 0 GGADHM C[C@@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824626670 608460997 /nfs/dbraw/zinc/46/09/97/608460997.db2.gz QTWHXXWROSDFJV-SNVBAGLBSA-N -1 3 383.362 3.046 20 0 GGADHM C[C@@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626670 608460999 /nfs/dbraw/zinc/46/09/99/608460999.db2.gz QTWHXXWROSDFJV-SNVBAGLBSA-N -1 3 383.362 3.046 20 0 GGADHM C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634289 608461708 /nfs/dbraw/zinc/46/17/08/608461708.db2.gz VFYCFEZJLVEXBU-JTQLQIEISA-N -1 3 381.827 3.020 20 0 GGADHM Clc1cnc(Br)c(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826354309 608471295 /nfs/dbraw/zinc/47/12/95/608471295.db2.gz XLUXZOCTZHWHEO-UHFFFAOYSA-N -1 3 396.632 3.135 20 0 GGADHM Clc1cnc(Br)c(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826354309 608471296 /nfs/dbraw/zinc/47/12/96/608471296.db2.gz XLUXZOCTZHWHEO-UHFFFAOYSA-N -1 3 396.632 3.135 20 0 GGADHM COc1ccc(F)c(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826209009 608472461 /nfs/dbraw/zinc/47/24/61/608472461.db2.gz JGLALMJKNJPITB-UHFFFAOYSA-N -1 3 394.410 3.336 20 0 GGADHM COc1ccc(F)c(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826209009 608472462 /nfs/dbraw/zinc/47/24/62/608472462.db2.gz JGLALMJKNJPITB-UHFFFAOYSA-N -1 3 394.410 3.336 20 0 GGADHM Cc1c(NC(=O)NCc2cccc(OC(C)(C)C)n2)cccc1-c1nnn[n-]1 ZINC000826241771 608472518 /nfs/dbraw/zinc/47/25/18/608472518.db2.gz OEUXXRMWIWKHSV-UHFFFAOYSA-N -1 3 381.440 3.069 20 0 GGADHM Cc1c(NC(=O)NCc2cccc(OC(C)(C)C)n2)cccc1-c1nn[n-]n1 ZINC000826241771 608472519 /nfs/dbraw/zinc/47/25/19/608472519.db2.gz OEUXXRMWIWKHSV-UHFFFAOYSA-N -1 3 381.440 3.069 20 0 GGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826145616 608473491 /nfs/dbraw/zinc/47/34/91/608473491.db2.gz JWLKQHFXANEHSE-KUHUBIRLSA-N -1 3 377.448 3.079 20 0 GGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826145616 608473492 /nfs/dbraw/zinc/47/34/92/608473492.db2.gz JWLKQHFXANEHSE-KUHUBIRLSA-N -1 3 377.448 3.079 20 0 GGADHM CCc1onc(C)c1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825777227 608473746 /nfs/dbraw/zinc/47/37/46/608473746.db2.gz QYNNYGMYTYWXMD-UHFFFAOYSA-N -1 3 379.424 3.047 20 0 GGADHM CCc1onc(C)c1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825777227 608473748 /nfs/dbraw/zinc/47/37/48/608473748.db2.gz QYNNYGMYTYWXMD-UHFFFAOYSA-N -1 3 379.424 3.047 20 0 GGADHM Cn1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(-c2ccccc2)n1 ZINC000826362174 608477137 /nfs/dbraw/zinc/47/71/37/608477137.db2.gz HABIUJIRYQDEBH-VAWYXSNFSA-N -1 3 386.415 3.024 20 0 GGADHM Cn1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(-c2ccccc2)n1 ZINC000826362174 608477138 /nfs/dbraw/zinc/47/71/38/608477138.db2.gz HABIUJIRYQDEBH-VAWYXSNFSA-N -1 3 386.415 3.024 20 0 GGADHM C[C@H]1CCOCCN1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824961080 608477522 /nfs/dbraw/zinc/47/75/22/608477522.db2.gz BBDBTMLKOIJXMR-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@H]1CCOCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824961080 608477523 /nfs/dbraw/zinc/47/75/23/608477523.db2.gz BBDBTMLKOIJXMR-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111931 608477619 /nfs/dbraw/zinc/47/76/19/608477619.db2.gz OOFIHFHRVOBFCD-KDOFPFPSSA-N -1 3 379.464 3.037 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111931 608477620 /nfs/dbraw/zinc/47/76/20/608477620.db2.gz OOFIHFHRVOBFCD-KDOFPFPSSA-N -1 3 379.464 3.037 20 0 GGADHM CCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825632587 608478370 /nfs/dbraw/zinc/47/83/70/608478370.db2.gz XJAUPMJEWSZVEG-UHFFFAOYSA-N -1 3 375.432 3.195 20 0 GGADHM CCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825632587 608478371 /nfs/dbraw/zinc/47/83/71/608478371.db2.gz XJAUPMJEWSZVEG-UHFFFAOYSA-N -1 3 375.432 3.195 20 0 GGADHM O=C(c1csc(C2CC2)n1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474968 608479150 /nfs/dbraw/zinc/47/91/50/608479150.db2.gz MRMSCTAKCVYRFS-UHFFFAOYSA-N -1 3 378.461 3.130 20 0 GGADHM O=C(c1csc(C2CC2)n1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474968 608479152 /nfs/dbraw/zinc/47/91/52/608479152.db2.gz MRMSCTAKCVYRFS-UHFFFAOYSA-N -1 3 378.461 3.130 20 0 GGADHM Cc1ocnc1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826343319 608479983 /nfs/dbraw/zinc/47/99/83/608479983.db2.gz VUTIGZCJHXZCBW-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM Cc1ocnc1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826343319 608479985 /nfs/dbraw/zinc/47/99/85/608479985.db2.gz VUTIGZCJHXZCBW-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM CCc1ccc(OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825717424 608479991 /nfs/dbraw/zinc/47/99/91/608479991.db2.gz KFVMTKWOZZEIIQ-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM CCc1ccc(OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825717424 608479993 /nfs/dbraw/zinc/47/99/93/608479993.db2.gz KFVMTKWOZZEIIQ-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM COCCC1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC000826155377 608480310 /nfs/dbraw/zinc/48/03/10/608480310.db2.gz OBHSZZMHQODPHG-UHFFFAOYSA-N -1 3 381.480 3.079 20 0 GGADHM COCCC1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC000826155377 608480311 /nfs/dbraw/zinc/48/03/11/608480311.db2.gz OBHSZZMHQODPHG-UHFFFAOYSA-N -1 3 381.480 3.079 20 0 GGADHM O=C(c1cccc2cnccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474464 608480727 /nfs/dbraw/zinc/48/07/27/608480727.db2.gz QUNSDQRFSGSWLP-UHFFFAOYSA-N -1 3 382.427 3.344 20 0 GGADHM O=C(c1cccc2cnccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474464 608480729 /nfs/dbraw/zinc/48/07/29/608480729.db2.gz QUNSDQRFSGSWLP-UHFFFAOYSA-N -1 3 382.427 3.344 20 0 GGADHM O=C(CSc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826420785 608481165 /nfs/dbraw/zinc/48/11/65/608481165.db2.gz BZLYJRNSXULWSU-UHFFFAOYSA-N -1 3 377.473 3.275 20 0 GGADHM O=C(CSc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826420785 608481166 /nfs/dbraw/zinc/48/11/66/608481166.db2.gz BZLYJRNSXULWSU-UHFFFAOYSA-N -1 3 377.473 3.275 20 0 GGADHM C[C@H](OCc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824730096 608483176 /nfs/dbraw/zinc/48/31/76/608483176.db2.gz MLNILLHEDUHXTN-INIZCTEOSA-N -1 3 389.459 3.088 20 0 GGADHM C[C@H](OCc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824730096 608483178 /nfs/dbraw/zinc/48/31/78/608483178.db2.gz MLNILLHEDUHXTN-INIZCTEOSA-N -1 3 389.459 3.088 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824737523 608483302 /nfs/dbraw/zinc/48/33/02/608483302.db2.gz HTUPLPDEVREAGS-CQSZACIVSA-N -1 3 393.422 3.089 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824737523 608483304 /nfs/dbraw/zinc/48/33/04/608483304.db2.gz HTUPLPDEVREAGS-CQSZACIVSA-N -1 3 393.422 3.089 20 0 GGADHM CCC(CC)n1nccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825114051 608483392 /nfs/dbraw/zinc/48/33/92/608483392.db2.gz IQWFHJLPLZFESC-UHFFFAOYSA-N -1 3 391.479 3.354 20 0 GGADHM CCC(CC)n1nccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825114051 608483395 /nfs/dbraw/zinc/48/33/95/608483395.db2.gz IQWFHJLPLZFESC-UHFFFAOYSA-N -1 3 391.479 3.354 20 0 GGADHM O=C(Cc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826422895 608483834 /nfs/dbraw/zinc/48/38/34/608483834.db2.gz PXJXRWXZJCYMIJ-UHFFFAOYSA-N -1 3 379.851 3.379 20 0 GGADHM O=C(Cc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826422895 608483835 /nfs/dbraw/zinc/48/38/35/608483835.db2.gz PXJXRWXZJCYMIJ-UHFFFAOYSA-N -1 3 379.851 3.379 20 0 GGADHM O=C(C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826396610 608485652 /nfs/dbraw/zinc/48/56/52/608485652.db2.gz FKFNZXOKIOSYPI-UHFFFAOYSA-N -1 3 393.834 3.019 20 0 GGADHM O=C(C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826396610 608485653 /nfs/dbraw/zinc/48/56/53/608485653.db2.gz FKFNZXOKIOSYPI-UHFFFAOYSA-N -1 3 393.834 3.019 20 0 GGADHM O=C(CCc1ccc(F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826408518 608485706 /nfs/dbraw/zinc/48/57/06/608485706.db2.gz JPSOLLMAGHNZIK-UHFFFAOYSA-N -1 3 377.423 3.254 20 0 GGADHM O=C(CCc1ccc(F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826408518 608485707 /nfs/dbraw/zinc/48/57/07/608485707.db2.gz JPSOLLMAGHNZIK-UHFFFAOYSA-N -1 3 377.423 3.254 20 0 GGADHM O=C(c1nc2ccccc2s1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475387 608485937 /nfs/dbraw/zinc/48/59/37/608485937.db2.gz DQFYOZNMUBUSAP-UHFFFAOYSA-N -1 3 388.456 3.406 20 0 GGADHM O=C(c1nc2ccccc2s1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475387 608485938 /nfs/dbraw/zinc/48/59/38/608485938.db2.gz DQFYOZNMUBUSAP-UHFFFAOYSA-N -1 3 388.456 3.406 20 0 GGADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(O)c1 ZINC000824490964 608491256 /nfs/dbraw/zinc/49/12/56/608491256.db2.gz SBNFEMDJSGZTPO-AWEZNQCLSA-N -1 3 390.447 3.132 20 0 GGADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(O)c1 ZINC000824490964 608491257 /nfs/dbraw/zinc/49/12/57/608491257.db2.gz SBNFEMDJSGZTPO-AWEZNQCLSA-N -1 3 390.447 3.132 20 0 GGADHM O=C(NCc1cc2ccccc2[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826440171 608492191 /nfs/dbraw/zinc/49/21/91/608492191.db2.gz BLMGVOSBONYBNL-UHFFFAOYSA-N -1 3 399.458 3.347 20 0 GGADHM O=C(NCc1cc2ccccc2[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826440171 608492192 /nfs/dbraw/zinc/49/21/92/608492192.db2.gz BLMGVOSBONYBNL-UHFFFAOYSA-N -1 3 399.458 3.347 20 0 GGADHM Cc1c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)sc2nccn12 ZINC000826234966 608494085 /nfs/dbraw/zinc/49/40/85/608494085.db2.gz XAHUVJQGJYCGDU-UHFFFAOYSA-N -1 3 385.478 3.077 20 0 GGADHM Cc1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)sc2nccn12 ZINC000826234966 608494087 /nfs/dbraw/zinc/49/40/87/608494087.db2.gz XAHUVJQGJYCGDU-UHFFFAOYSA-N -1 3 385.478 3.077 20 0 GGADHM Cc1sc2nc([C@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)nc(N)c2c1C ZINC000826350131 608494473 /nfs/dbraw/zinc/49/44/73/608494473.db2.gz JQJYNROUZHEGJE-MNOVXSKESA-N -1 3 394.508 3.482 20 0 GGADHM Fc1cccc(Cl)c1CN1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826377343 608502511 /nfs/dbraw/zinc/50/25/11/608502511.db2.gz NUHHKIQRJUCPCB-UHFFFAOYSA-N -1 3 392.891 3.039 20 0 GGADHM Fc1cccc(Cl)c1CN1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826377343 608502513 /nfs/dbraw/zinc/50/25/13/608502513.db2.gz NUHHKIQRJUCPCB-UHFFFAOYSA-N -1 3 392.891 3.039 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(Br)ccc1F ZINC000825961495 608521506 /nfs/dbraw/zinc/52/15/06/608521506.db2.gz GXKMQNINHASPSU-UHFFFAOYSA-N -1 3 382.262 3.462 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1cc(Br)ccc1F ZINC000825961495 608521507 /nfs/dbraw/zinc/52/15/07/608521507.db2.gz GXKMQNINHASPSU-UHFFFAOYSA-N -1 3 382.262 3.462 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000509990128 608527466 /nfs/dbraw/zinc/52/74/66/608527466.db2.gz BCKRXNBGEWEXQA-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000509990128 608527467 /nfs/dbraw/zinc/52/74/67/608527467.db2.gz BCKRXNBGEWEXQA-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Fc1ccccc1-c1cnc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000826377846 608530843 /nfs/dbraw/zinc/53/08/43/608530843.db2.gz IWGSUNBEFXCJCH-UHFFFAOYSA-N -1 3 376.395 3.440 20 0 GGADHM Fc1ccccc1-c1cnc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000826377846 608530844 /nfs/dbraw/zinc/53/08/44/608530844.db2.gz IWGSUNBEFXCJCH-UHFFFAOYSA-N -1 3 376.395 3.440 20 0 GGADHM Cc1cccc([C@@H](C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1C ZINC000826296486 608534081 /nfs/dbraw/zinc/53/40/81/608534081.db2.gz YUYHQESYZOKTPM-CQSZACIVSA-N -1 3 375.436 3.384 20 0 GGADHM Cc1cccc([C@@H](C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1C ZINC000826296486 608534082 /nfs/dbraw/zinc/53/40/82/608534082.db2.gz YUYHQESYZOKTPM-CQSZACIVSA-N -1 3 375.436 3.384 20 0 GGADHM CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc(Br)ccc1F ZINC000825428258 608534196 /nfs/dbraw/zinc/53/41/96/608534196.db2.gz HETZWVAVRIKEJE-UHFFFAOYSA-N -1 3 380.221 3.383 20 0 GGADHM CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cc(Br)ccc1F ZINC000825428258 608534198 /nfs/dbraw/zinc/53/41/98/608534198.db2.gz HETZWVAVRIKEJE-UHFFFAOYSA-N -1 3 380.221 3.383 20 0 GGADHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000825139973 608536514 /nfs/dbraw/zinc/53/65/14/608536514.db2.gz HWQYQONJDBOOQL-DLBZAZTESA-N -1 3 387.390 3.100 20 0 GGADHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000825139973 608536515 /nfs/dbraw/zinc/53/65/15/608536515.db2.gz HWQYQONJDBOOQL-DLBZAZTESA-N -1 3 387.390 3.100 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)CCC1=O ZINC000824867716 608539350 /nfs/dbraw/zinc/53/93/50/608539350.db2.gz QPYFPFCJPJGXQG-WBVHZDCISA-N -1 3 389.459 3.405 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)CCC1=O ZINC000824867716 608539352 /nfs/dbraw/zinc/53/93/52/608539352.db2.gz QPYFPFCJPJGXQG-WBVHZDCISA-N -1 3 389.459 3.405 20 0 GGADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826429541 608544665 /nfs/dbraw/zinc/54/46/65/608544665.db2.gz GQZUTQRDUVHWIW-OCCSQVGLSA-N -1 3 390.369 3.280 20 0 GGADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826429541 608544667 /nfs/dbraw/zinc/54/46/67/608544667.db2.gz GQZUTQRDUVHWIW-OCCSQVGLSA-N -1 3 390.369 3.280 20 0 GGADHM CC(C)(NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)c(F)c1 ZINC000824165899 608549754 /nfs/dbraw/zinc/54/97/54/608549754.db2.gz CKJBDOHFPGBGDT-UHFFFAOYSA-N -1 3 397.389 3.220 20 0 GGADHM CC(C)(NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)c(F)c1 ZINC000824165899 608549755 /nfs/dbraw/zinc/54/97/55/608549755.db2.gz CKJBDOHFPGBGDT-UHFFFAOYSA-N -1 3 397.389 3.220 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826321976 608550048 /nfs/dbraw/zinc/55/00/48/608550048.db2.gz VZNUDCGQANOARE-MRXNPFEDSA-N -1 3 398.446 3.495 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826321976 608550049 /nfs/dbraw/zinc/55/00/49/608550049.db2.gz VZNUDCGQANOARE-MRXNPFEDSA-N -1 3 398.446 3.495 20 0 GGADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1Cl ZINC000826429920 608557191 /nfs/dbraw/zinc/55/71/91/608557191.db2.gz PVHKQCKLFAUMPQ-UHFFFAOYSA-N -1 3 398.854 3.035 20 0 GGADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccc1Cl ZINC000826429920 608557192 /nfs/dbraw/zinc/55/71/92/608557192.db2.gz PVHKQCKLFAUMPQ-UHFFFAOYSA-N -1 3 398.854 3.035 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824936186 608559651 /nfs/dbraw/zinc/55/96/51/608559651.db2.gz FJFSROUJLHILKS-QEFXCSQDSA-N -1 3 398.511 3.284 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824936186 608559653 /nfs/dbraw/zinc/55/96/53/608559653.db2.gz FJFSROUJLHILKS-QEFXCSQDSA-N -1 3 398.511 3.284 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824936188 608559853 /nfs/dbraw/zinc/55/98/53/608559853.db2.gz FJFSROUJLHILKS-WPAPPDIDSA-N -1 3 398.511 3.284 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824936188 608559854 /nfs/dbraw/zinc/55/98/54/608559854.db2.gz FJFSROUJLHILKS-WPAPPDIDSA-N -1 3 398.511 3.284 20 0 GGADHM Cc1cc(CN(C)Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)no1 ZINC000826266282 608562319 /nfs/dbraw/zinc/56/23/19/608562319.db2.gz JNXSKXGJDRCQGY-UHFFFAOYSA-N -1 3 390.447 3.374 20 0 GGADHM Cc1cc(CN(C)Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)no1 ZINC000826266282 608562321 /nfs/dbraw/zinc/56/23/21/608562321.db2.gz JNXSKXGJDRCQGY-UHFFFAOYSA-N -1 3 390.447 3.374 20 0 GGADHM O=S(=O)(Oc1c(F)cccc1Cl)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826493642 608565471 /nfs/dbraw/zinc/56/54/71/608565471.db2.gz VSFBZPBIATUBNR-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM Brc1ccccc1-n1cc(NCc2ccccc2-c2nnn[n-]2)cn1 ZINC000823832645 608567251 /nfs/dbraw/zinc/56/72/51/608567251.db2.gz RSSZNRPNCZUBBN-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM Brc1ccccc1-n1cc(NCc2ccccc2-c2nn[n-]n2)cn1 ZINC000823832645 608567252 /nfs/dbraw/zinc/56/72/52/608567252.db2.gz RSSZNRPNCZUBBN-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM CC[C@H](CSC)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825126433 608568402 /nfs/dbraw/zinc/56/84/02/608568402.db2.gz IDZFIDFKOKSJSU-OAHLLOKOSA-N -1 3 382.493 3.482 20 0 GGADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826422773 608570278 /nfs/dbraw/zinc/57/02/78/608570278.db2.gz LQLQHBVSSONIKV-UHFFFAOYSA-N -1 3 388.475 3.201 20 0 GGADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826422773 608570279 /nfs/dbraw/zinc/57/02/79/608570279.db2.gz LQLQHBVSSONIKV-UHFFFAOYSA-N -1 3 388.475 3.201 20 0 GGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826405014 608570901 /nfs/dbraw/zinc/57/09/01/608570901.db2.gz SJBBGLZDZOTZPF-CYBMUJFWSA-N -1 3 390.447 3.035 20 0 GGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826405014 608570903 /nfs/dbraw/zinc/57/09/03/608570903.db2.gz SJBBGLZDZOTZPF-CYBMUJFWSA-N -1 3 390.447 3.035 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1CCCc2ccc(F)cc21 ZINC000826334681 608584236 /nfs/dbraw/zinc/58/42/36/608584236.db2.gz FEEBVUCHSQRXFO-GOSISDBHSA-N -1 3 375.411 3.498 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1CCCc2ccc(F)cc21 ZINC000826334681 608584237 /nfs/dbraw/zinc/58/42/37/608584237.db2.gz FEEBVUCHSQRXFO-GOSISDBHSA-N -1 3 375.411 3.498 20 0 GGADHM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826426804 608588929 /nfs/dbraw/zinc/58/89/29/608588929.db2.gz WVJDKQODDCXUNS-CQSZACIVSA-N -1 3 379.317 3.429 20 0 GGADHM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826426804 608588931 /nfs/dbraw/zinc/58/89/31/608588931.db2.gz WVJDKQODDCXUNS-CQSZACIVSA-N -1 3 379.317 3.429 20 0 GGADHM C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723243 608589775 /nfs/dbraw/zinc/58/97/75/608589775.db2.gz NRALDWFGZJZIEV-NSHDSACASA-N -1 3 380.433 3.247 20 0 GGADHM C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723243 608589777 /nfs/dbraw/zinc/58/97/77/608589777.db2.gz NRALDWFGZJZIEV-NSHDSACASA-N -1 3 380.433 3.247 20 0 GGADHM C[C@@H](OC(=O)c1csc(-c2ncccc2F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824731377 608590002 /nfs/dbraw/zinc/59/00/02/608590002.db2.gz VJDDICXRBWFWDZ-SNVBAGLBSA-N -1 3 396.407 3.442 20 0 GGADHM C[C@@H](OC(=O)c1csc(-c2ncccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824731377 608590003 /nfs/dbraw/zinc/59/00/03/608590003.db2.gz VJDDICXRBWFWDZ-SNVBAGLBSA-N -1 3 396.407 3.442 20 0 GGADHM Cc1ccccc1NC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826307634 608596411 /nfs/dbraw/zinc/59/64/11/608596411.db2.gz QILJYEXNJAUPRV-UHFFFAOYSA-N -1 3 393.451 3.082 20 0 GGADHM Cc1ccccc1NC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826307634 608596412 /nfs/dbraw/zinc/59/64/12/608596412.db2.gz QILJYEXNJAUPRV-UHFFFAOYSA-N -1 3 393.451 3.082 20 0 GGADHM CCOc1ccc(C2=CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825637914 608598156 /nfs/dbraw/zinc/59/81/56/608598156.db2.gz BGNRQKXFOWBLRF-UHFFFAOYSA-N -1 3 375.432 3.195 20 0 GGADHM CCOc1ccc(C2=CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825637914 608598158 /nfs/dbraw/zinc/59/81/58/608598158.db2.gz BGNRQKXFOWBLRF-UHFFFAOYSA-N -1 3 375.432 3.195 20 0 GGADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)C1CCCCCCC1 ZINC000826429775 608604198 /nfs/dbraw/zinc/60/41/98/608604198.db2.gz MWXPWCWOEKPVKB-UHFFFAOYSA-N -1 3 398.511 3.428 20 0 GGADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)C1CCCCCCC1 ZINC000826429775 608604201 /nfs/dbraw/zinc/60/42/01/608604201.db2.gz MWXPWCWOEKPVKB-UHFFFAOYSA-N -1 3 398.511 3.428 20 0 GGADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000826470716 608606649 /nfs/dbraw/zinc/60/66/49/608606649.db2.gz ZUMPIOFEGXBRGB-UHFFFAOYSA-N -1 3 389.431 3.301 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000825540505 608608206 /nfs/dbraw/zinc/60/82/06/608608206.db2.gz ZVKSVBFFKFSCDD-NEPJUHHUSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000825540505 608608211 /nfs/dbraw/zinc/60/82/11/608608211.db2.gz ZVKSVBFFKFSCDD-NEPJUHHUSA-N -1 3 387.444 3.087 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826430027 608609685 /nfs/dbraw/zinc/60/96/85/608609685.db2.gz RUYZXMFSJHTILA-WCQYABFASA-N -1 3 390.369 3.280 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826430027 608609687 /nfs/dbraw/zinc/60/96/87/608609687.db2.gz RUYZXMFSJHTILA-WCQYABFASA-N -1 3 390.369 3.280 20 0 GGADHM COc1ccc(OC)c([C@@H]2CCCN2Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826210838 608644575 /nfs/dbraw/zinc/64/45/75/608644575.db2.gz GZGOEGUMVWSRHH-KRWDZBQOSA-N -1 3 383.427 3.360 20 0 GGADHM Cc1cc(C)c(NC(=O)CN(C)Cc2cccc(-c3nnn[n-]3)c2F)c(C)c1 ZINC000826263193 608648354 /nfs/dbraw/zinc/64/83/54/608648354.db2.gz PBYZYQWQUKJOLJ-UHFFFAOYSA-N -1 3 382.443 3.002 20 0 GGADHM Cc1cc(C)c(NC(=O)CN(C)Cc2cccc(-c3nn[n-]n3)c2F)c(C)c1 ZINC000826263193 608648357 /nfs/dbraw/zinc/64/83/57/608648357.db2.gz PBYZYQWQUKJOLJ-UHFFFAOYSA-N -1 3 382.443 3.002 20 0 GGADHM Fc1cccc(CN(Cc2cccc(-c3nnn[n-]3)c2F)C[C@H]2CCCO2)c1 ZINC000826376907 608649134 /nfs/dbraw/zinc/64/91/34/608649134.db2.gz XSLPWJXAQRPIMH-QGZVFWFLSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1cccc(CN(Cc2cccc(-c3nn[n-]n3)c2F)C[C@H]2CCCO2)c1 ZINC000826376907 608649136 /nfs/dbraw/zinc/64/91/36/608649136.db2.gz XSLPWJXAQRPIMH-QGZVFWFLSA-N -1 3 385.418 3.326 20 0 GGADHM O[C@H](CN(Cc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1F)c1ccco1 ZINC000826502498 608652819 /nfs/dbraw/zinc/65/28/19/608652819.db2.gz FAKZZOLHZWWWEL-GOSISDBHSA-N -1 3 393.422 3.335 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000825626315 608666403 /nfs/dbraw/zinc/66/64/03/608666403.db2.gz JWPSFPHZXKWNKK-UHFFFAOYSA-N -1 3 395.467 3.248 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000825626315 608666406 /nfs/dbraw/zinc/66/64/06/608666406.db2.gz JWPSFPHZXKWNKK-UHFFFAOYSA-N -1 3 395.467 3.248 20 0 GGADHM CN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@@H](c1ccccc1)C(F)(F)F ZINC000825992494 608677239 /nfs/dbraw/zinc/67/72/39/608677239.db2.gz YTRGRWJRQRCOGH-INIZCTEOSA-N -1 3 387.369 3.250 20 0 GGADHM CN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@@H](c1ccccc1)C(F)(F)F ZINC000825992494 608677241 /nfs/dbraw/zinc/67/72/41/608677241.db2.gz YTRGRWJRQRCOGH-INIZCTEOSA-N -1 3 387.369 3.250 20 0 GGADHM C[C@H](c1ccc(F)cc1F)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824763759 608677692 /nfs/dbraw/zinc/67/76/92/608677692.db2.gz OYWAMFTZAGVCHI-GFCCVEGCSA-N -1 3 390.463 3.085 20 0 GGADHM C[C@H](c1ccc(F)cc1F)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000824763759 608677694 /nfs/dbraw/zinc/67/76/94/608677694.db2.gz OYWAMFTZAGVCHI-GFCCVEGCSA-N -1 3 390.463 3.085 20 0 GGADHM FC(F)Oc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1 ZINC000826369463 608678245 /nfs/dbraw/zinc/67/82/45/608678245.db2.gz DQUGZAAFKCWPOZ-CQSZACIVSA-N -1 3 393.419 3.103 20 0 GGADHM FC(F)Oc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)cc1 ZINC000826369463 608678247 /nfs/dbraw/zinc/67/82/47/608678247.db2.gz DQUGZAAFKCWPOZ-CQSZACIVSA-N -1 3 393.419 3.103 20 0 GGADHM c1cc(CN2CCOC3(CCC3)C2)cc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826516003 608726780 /nfs/dbraw/zinc/72/67/80/608726780.db2.gz UBFUIYIPOYTKSU-UHFFFAOYSA-N -1 3 391.475 3.201 20 0 GGADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825159204 608727335 /nfs/dbraw/zinc/72/73/35/608727335.db2.gz LELLVRBSDJJPDR-KRWDZBQOSA-N -1 3 388.422 3.007 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000536688447 608756070 /nfs/dbraw/zinc/75/60/70/608756070.db2.gz ZFYWABFRHHDQHE-KRWDZBQOSA-N -1 3 385.855 3.240 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000536688447 608756072 /nfs/dbraw/zinc/75/60/72/608756072.db2.gz ZFYWABFRHHDQHE-KRWDZBQOSA-N -1 3 385.855 3.240 20 0 GGADHM C[C@H](NC(=O)NCC1(C)Cc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498388 608758514 /nfs/dbraw/zinc/75/85/14/608758514.db2.gz GLYQQBVNFDOPLX-AWEZNQCLSA-N -1 3 376.464 3.032 20 0 GGADHM C[C@H](NC(=O)NCC1(C)Cc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498388 608758516 /nfs/dbraw/zinc/75/85/16/608758516.db2.gz GLYQQBVNFDOPLX-AWEZNQCLSA-N -1 3 376.464 3.032 20 0 GGADHM O=C(NCCCc1cccs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826436944 608762305 /nfs/dbraw/zinc/76/23/05/608762305.db2.gz PSMPNCXXLYWYMR-UHFFFAOYSA-N -1 3 394.504 3.360 20 0 GGADHM O=C(NCCCc1cccs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826436944 608762310 /nfs/dbraw/zinc/76/23/10/608762310.db2.gz PSMPNCXXLYWYMR-UHFFFAOYSA-N -1 3 394.504 3.360 20 0 GGADHM COc1ccc(Oc2cc(CNc3cnccc3-c3nnn[n-]3)ccn2)cc1 ZINC000826211472 608775255 /nfs/dbraw/zinc/77/52/55/608775255.db2.gz FWYQQUCUCMVRGJ-UHFFFAOYSA-N -1 3 375.392 3.070 20 0 GGADHM COc1ccc(Oc2cc(CNc3cnccc3-c3nn[n-]n3)ccn2)cc1 ZINC000826211472 608775258 /nfs/dbraw/zinc/77/52/58/608775258.db2.gz FWYQQUCUCMVRGJ-UHFFFAOYSA-N -1 3 375.392 3.070 20 0 GGADHM COc1cc(F)cc(CNc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826180705 608799053 /nfs/dbraw/zinc/79/90/53/608799053.db2.gz SZDPTDROJJSQID-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCCc2cccs2)cc1-c1nnn[n-]1 ZINC000824328785 608815900 /nfs/dbraw/zinc/81/59/00/608815900.db2.gz AFFVMYKLVKWLQB-UHFFFAOYSA-N -1 3 386.481 3.470 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCCc2cccs2)cc1-c1nn[n-]n1 ZINC000824328785 608815902 /nfs/dbraw/zinc/81/59/02/608815902.db2.gz AFFVMYKLVKWLQB-UHFFFAOYSA-N -1 3 386.481 3.470 20 0 GGADHM Cc1nc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000826323640 608861664 /nfs/dbraw/zinc/86/16/64/608861664.db2.gz LTTGQHWBSNRMDD-NSHDSACASA-N -1 3 399.524 3.074 20 0 GGADHM Cc1nc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000826323640 608861665 /nfs/dbraw/zinc/86/16/65/608861665.db2.gz LTTGQHWBSNRMDD-NSHDSACASA-N -1 3 399.524 3.074 20 0 GGADHM COc1cc(Br)c(CNc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826176933 608868246 /nfs/dbraw/zinc/86/82/46/608868246.db2.gz KNKHFCQXKZJSFC-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(OCc2ccccn2)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826211731 608872074 /nfs/dbraw/zinc/87/20/74/608872074.db2.gz RUKXJDJHOPOMLB-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM COc1ccc(OCc2ccccn2)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826211731 608872076 /nfs/dbraw/zinc/87/20/76/608872076.db2.gz RUKXJDJHOPOMLB-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM C[C@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824713124 608873017 /nfs/dbraw/zinc/87/30/17/608873017.db2.gz GVTAOWYXNVYAIZ-SJCJKPOMSA-N -1 3 385.855 3.427 20 0 GGADHM C[C@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824713124 608873019 /nfs/dbraw/zinc/87/30/19/608873019.db2.gz GVTAOWYXNVYAIZ-SJCJKPOMSA-N -1 3 385.855 3.427 20 0 GGADHM Cc1[nH]nc(C(F)F)c1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826233735 608873749 /nfs/dbraw/zinc/87/37/49/608873749.db2.gz UFSGOLATFROUDG-UHFFFAOYSA-N -1 3 391.382 3.024 20 0 GGADHM Cc1nc2ccccc2c(S[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000826327713 608875396 /nfs/dbraw/zinc/87/53/96/608875396.db2.gz RIRTUEGRYKWERZ-LLVKDONJSA-N -1 3 391.460 3.238 20 0 GGADHM Cc1nc2ccccc2c(S[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000826327713 608875397 /nfs/dbraw/zinc/87/53/97/608875397.db2.gz RIRTUEGRYKWERZ-LLVKDONJSA-N -1 3 391.460 3.238 20 0 GGADHM O=c1c2ccc(Cl)cc2nc2n1CCC2=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826501298 608878081 /nfs/dbraw/zinc/87/80/81/608878081.db2.gz JMDJZGGQOKGESO-YRNVUSSQSA-N -1 3 394.797 3.313 20 0 GGADHM O=c1c2ccc(Cl)cc2nc2n1CCC2=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826501298 608878082 /nfs/dbraw/zinc/87/80/82/608878082.db2.gz JMDJZGGQOKGESO-YRNVUSSQSA-N -1 3 394.797 3.313 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000826174235 608883447 /nfs/dbraw/zinc/88/34/47/608883447.db2.gz OQWKSVUNCJTEEH-UHFFFAOYSA-N -1 3 396.403 3.050 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000826174235 608883452 /nfs/dbraw/zinc/88/34/52/608883452.db2.gz OQWKSVUNCJTEEH-UHFFFAOYSA-N -1 3 396.403 3.050 20 0 GGADHM C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824517010 608884299 /nfs/dbraw/zinc/88/42/99/608884299.db2.gz ZZFKJNOXOQEVDF-ZDUSSCGKSA-N -1 3 393.447 3.313 20 0 GGADHM C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824517010 608884300 /nfs/dbraw/zinc/88/43/00/608884300.db2.gz ZZFKJNOXOQEVDF-ZDUSSCGKSA-N -1 3 393.447 3.313 20 0 GGADHM O=S(=O)(CCC1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826484792 608886809 /nfs/dbraw/zinc/88/68/09/608886809.db2.gz PLKVGPFLKCNDSA-UHFFFAOYSA-N -1 3 385.449 3.201 20 0 GGADHM O=S(=O)(CCC1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826484792 608886810 /nfs/dbraw/zinc/88/68/10/608886810.db2.gz PLKVGPFLKCNDSA-UHFFFAOYSA-N -1 3 385.449 3.201 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000826466872 609136888 /nfs/dbraw/zinc/13/68/88/609136888.db2.gz WQHAQBJZWRUXCU-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000826466872 609136890 /nfs/dbraw/zinc/13/68/90/609136890.db2.gz WQHAQBJZWRUXCU-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826468967 609138244 /nfs/dbraw/zinc/13/82/44/609138244.db2.gz OUMDQRIHQQJEKN-HVHJFMEUSA-N -1 3 381.386 3.463 20 0 GGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826468967 609138245 /nfs/dbraw/zinc/13/82/45/609138245.db2.gz OUMDQRIHQQJEKN-HVHJFMEUSA-N -1 3 381.386 3.463 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(Cl)c1 ZINC000540746097 609138904 /nfs/dbraw/zinc/13/89/04/609138904.db2.gz PRZUJFYQQBBVNL-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(Cl)c1 ZINC000540746097 609138906 /nfs/dbraw/zinc/13/89/06/609138906.db2.gz PRZUJFYQQBBVNL-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM C[C@H](OC(=O)Cc1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715430 609143622 /nfs/dbraw/zinc/14/36/22/609143622.db2.gz SCLLCCLGAZWCTP-ZDUSSCGKSA-N -1 3 375.388 3.369 20 0 GGADHM C[C@H](OC(=O)Cc1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715430 609143625 /nfs/dbraw/zinc/14/36/25/609143625.db2.gz SCLLCCLGAZWCTP-ZDUSSCGKSA-N -1 3 375.388 3.369 20 0 GGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824907518 609148659 /nfs/dbraw/zinc/14/86/59/609148659.db2.gz IGJFLODTISYQNK-GWCFXTLKSA-N -1 3 393.373 3.080 20 0 GGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824907518 609148661 /nfs/dbraw/zinc/14/86/61/609148661.db2.gz IGJFLODTISYQNK-GWCFXTLKSA-N -1 3 393.373 3.080 20 0 GGADHM C[C@@H](NCc1nccn1CCc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824633345 609149795 /nfs/dbraw/zinc/14/97/95/609149795.db2.gz LIJUDKCBKXANHB-OAHLLOKOSA-N -1 3 391.454 3.296 20 0 GGADHM C[C@@H](NCc1nccn1CCc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824633345 609149797 /nfs/dbraw/zinc/14/97/97/609149797.db2.gz LIJUDKCBKXANHB-OAHLLOKOSA-N -1 3 391.454 3.296 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)C(F)(F)F)cc1 ZINC000826188914 609150038 /nfs/dbraw/zinc/15/00/38/609150038.db2.gz JSKCOZIFPBQXRO-OAHLLOKOSA-N -1 3 381.333 3.408 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)C(F)(F)F)cc1 ZINC000826188914 609150039 /nfs/dbraw/zinc/15/00/39/609150039.db2.gz JSKCOZIFPBQXRO-OAHLLOKOSA-N -1 3 381.333 3.408 20 0 GGADHM O=C(CN1CCC[C@H]1/C=C\c1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826410369 609150584 /nfs/dbraw/zinc/15/05/84/609150584.db2.gz LDCKGPQKAIMTKN-CDNLZTBQSA-N -1 3 380.477 3.045 20 0 GGADHM O=C(CN1CCC[C@H]1/C=C\c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826410369 609150582 /nfs/dbraw/zinc/15/05/82/609150582.db2.gz LDCKGPQKAIMTKN-CDNLZTBQSA-N -1 3 380.477 3.045 20 0 GGADHM O[C@@H](CN[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826502771 609152539 /nfs/dbraw/zinc/15/25/39/609152539.db2.gz KHSDYIWMNZFHIP-ZFWWWQNUSA-N -1 3 399.323 3.072 20 0 GGADHM O[C@@H](CN[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826502771 609152540 /nfs/dbraw/zinc/15/25/40/609152540.db2.gz KHSDYIWMNZFHIP-ZFWWWQNUSA-N -1 3 399.323 3.072 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824632498 609153567 /nfs/dbraw/zinc/15/35/67/609153567.db2.gz APNYCKQPVGFHIU-LLVKDONJSA-N -1 3 381.440 3.375 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824632498 609153568 /nfs/dbraw/zinc/15/35/68/609153568.db2.gz APNYCKQPVGFHIU-LLVKDONJSA-N -1 3 381.440 3.375 20 0 GGADHM Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000826328223 609160546 /nfs/dbraw/zinc/16/05/46/609160546.db2.gz JUMHEVLTMSZINS-ZDUSSCGKSA-N -1 3 389.872 3.484 20 0 GGADHM Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000826328223 609160547 /nfs/dbraw/zinc/16/05/47/609160547.db2.gz JUMHEVLTMSZINS-ZDUSSCGKSA-N -1 3 389.872 3.484 20 0 GGADHM C[C@@H]1Oc2ccc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2NC1=O ZINC000825020021 609162690 /nfs/dbraw/zinc/16/26/90/609162690.db2.gz IHBOLGIDKYTAMJ-MEDUHNTESA-N -1 3 376.420 3.076 20 0 GGADHM C[C@@H]1Oc2ccc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2NC1=O ZINC000825020021 609162692 /nfs/dbraw/zinc/16/26/92/609162692.db2.gz IHBOLGIDKYTAMJ-MEDUHNTESA-N -1 3 376.420 3.076 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826233401 609165680 /nfs/dbraw/zinc/16/56/80/609165680.db2.gz FVSTYMGHUPAQKW-CQSZACIVSA-N -1 3 394.479 3.275 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826233401 609165682 /nfs/dbraw/zinc/16/56/82/609165682.db2.gz FVSTYMGHUPAQKW-CQSZACIVSA-N -1 3 394.479 3.275 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)c2cccnc2)c1-c1nnn[n-]1 ZINC000826233816 609166164 /nfs/dbraw/zinc/16/61/64/609166164.db2.gz WXBMFLBMZLYNHQ-CQSZACIVSA-N -1 3 387.447 3.411 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)c2cccnc2)c1-c1nn[n-]n1 ZINC000826233816 609166166 /nfs/dbraw/zinc/16/61/66/609166166.db2.gz WXBMFLBMZLYNHQ-CQSZACIVSA-N -1 3 387.447 3.411 20 0 GGADHM Cc1ncsc1C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826331323 609166525 /nfs/dbraw/zinc/16/65/25/609166525.db2.gz CYNPSZJDXQIYFU-UHFFFAOYSA-N -1 3 379.449 3.291 20 0 GGADHM Cc1ncsc1C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826331323 609166527 /nfs/dbraw/zinc/16/65/27/609166527.db2.gz CYNPSZJDXQIYFU-UHFFFAOYSA-N -1 3 379.449 3.291 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826233759 609166589 /nfs/dbraw/zinc/16/65/89/609166589.db2.gz VDZMBTGUOOUWAZ-INIZCTEOSA-N -1 3 380.452 3.172 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826233759 609166591 /nfs/dbraw/zinc/16/65/91/609166591.db2.gz VDZMBTGUOOUWAZ-INIZCTEOSA-N -1 3 380.452 3.172 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826233705 609168248 /nfs/dbraw/zinc/16/82/48/609168248.db2.gz SHAZNSTYVSGBMZ-MRXNPFEDSA-N -1 3 380.452 3.172 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826233705 609168250 /nfs/dbraw/zinc/16/82/50/609168250.db2.gz SHAZNSTYVSGBMZ-MRXNPFEDSA-N -1 3 380.452 3.172 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCOCC(C)C)c1-c1nnn[n-]1 ZINC000826233622 609168334 /nfs/dbraw/zinc/16/83/34/609168334.db2.gz PANADTPCROBSOP-UHFFFAOYSA-N -1 3 382.468 3.275 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCOCC(C)C)c1-c1nn[n-]n1 ZINC000826233622 609168336 /nfs/dbraw/zinc/16/83/36/609168336.db2.gz PANADTPCROBSOP-UHFFFAOYSA-N -1 3 382.468 3.275 20 0 GGADHM Cc1noc(CCCNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000826339550 609176790 /nfs/dbraw/zinc/17/67/90/609176790.db2.gz JHKHTRYXXPGGEF-UHFFFAOYSA-N -1 3 391.435 3.182 20 0 GGADHM Cc1noc(CCCNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000826339550 609176792 /nfs/dbraw/zinc/17/67/92/609176792.db2.gz JHKHTRYXXPGGEF-UHFFFAOYSA-N -1 3 391.435 3.182 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(Cc2ccccc2C)no1 ZINC000825480685 609177931 /nfs/dbraw/zinc/17/79/31/609177931.db2.gz GKFRMYVNNNWUFC-UHFFFAOYSA-N -1 3 390.451 3.193 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccccc1C(C)C ZINC000825481062 609178158 /nfs/dbraw/zinc/17/81/58/609178158.db2.gz SZJTTYVSQRESAH-UHFFFAOYSA-N -1 3 379.468 3.473 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000825480599 609178612 /nfs/dbraw/zinc/17/86/12/609178612.db2.gz BZKSKGRMDCLHCE-HXUWFJFHSA-N -1 3 393.495 3.224 20 0 GGADHM O=C(NCC[C@@H]1CCCCO1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826436494 609181004 /nfs/dbraw/zinc/18/10/04/609181004.db2.gz VPWWQVNRYXWQOQ-IBGZPJMESA-N -1 3 392.463 3.299 20 0 GGADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824473323 609184695 /nfs/dbraw/zinc/18/46/95/609184695.db2.gz ZYJFBZHEAFQCCP-VFZGTOFNSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824473323 609184696 /nfs/dbraw/zinc/18/46/96/609184696.db2.gz ZYJFBZHEAFQCCP-VFZGTOFNSA-N -1 3 392.246 3.084 20 0 GGADHM CCCc1ccc([C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000825348685 609192067 /nfs/dbraw/zinc/19/20/67/609192067.db2.gz WHMBGPZCLXOTIV-PMACEKPBSA-N -1 3 393.491 3.366 20 0 GGADHM CCCc1ccc([C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000825348685 609192068 /nfs/dbraw/zinc/19/20/68/609192068.db2.gz WHMBGPZCLXOTIV-PMACEKPBSA-N -1 3 393.491 3.366 20 0 GGADHM O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826454786 609193142 /nfs/dbraw/zinc/19/31/42/609193142.db2.gz LBIMYCLVDRJQFS-IBGZPJMESA-N -1 3 386.415 3.282 20 0 GGADHM O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826454786 609193144 /nfs/dbraw/zinc/19/31/44/609193144.db2.gz LBIMYCLVDRJQFS-IBGZPJMESA-N -1 3 386.415 3.282 20 0 GGADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824469609 609193203 /nfs/dbraw/zinc/19/32/03/609193203.db2.gz ASVGAWWXSGZUMC-SCLBCKFNSA-N -1 3 379.464 3.075 20 0 GGADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824469609 609193204 /nfs/dbraw/zinc/19/32/04/609193204.db2.gz ASVGAWWXSGZUMC-SCLBCKFNSA-N -1 3 379.464 3.075 20 0 GGADHM CCCCCOc1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OC ZINC000825276346 609197918 /nfs/dbraw/zinc/19/79/18/609197918.db2.gz WWAGSOSPHDNRAF-CYBMUJFWSA-N -1 3 398.467 3.263 20 0 GGADHM CCCCCOc1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OC ZINC000825276346 609197919 /nfs/dbraw/zinc/19/79/19/609197919.db2.gz WWAGSOSPHDNRAF-CYBMUJFWSA-N -1 3 398.467 3.263 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cc(C)cc(C)c1 ZINC000826263632 609206677 /nfs/dbraw/zinc/20/66/77/609206677.db2.gz KXBRERPRTSPTTD-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1cc(C)cc(C)c1 ZINC000826263632 609206679 /nfs/dbraw/zinc/20/66/79/609206679.db2.gz KXBRERPRTSPTTD-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM CCC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000825242753 609206927 /nfs/dbraw/zinc/20/69/27/609206927.db2.gz ZYIDCQMQHCODQQ-ZDUSSCGKSA-N -1 3 378.358 3.485 20 0 GGADHM CCC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000825242753 609206929 /nfs/dbraw/zinc/20/69/29/609206929.db2.gz ZYIDCQMQHCODQQ-ZDUSSCGKSA-N -1 3 378.358 3.485 20 0 GGADHM Cc1ccc(SC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCCC2)cc1 ZINC000826292822 609222513 /nfs/dbraw/zinc/22/25/13/609222513.db2.gz NLEPHUYQZLCWBE-UHFFFAOYSA-N -1 3 382.493 3.338 20 0 GGADHM Cc1ccc(SC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCCC2)cc1 ZINC000826292822 609222515 /nfs/dbraw/zinc/22/25/15/609222515.db2.gz NLEPHUYQZLCWBE-UHFFFAOYSA-N -1 3 382.493 3.338 20 0 GGADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305847 609230347 /nfs/dbraw/zinc/23/03/47/609230347.db2.gz KAWUHVRBMCUMQU-MOPGFXCFSA-N -1 3 379.464 3.064 20 0 GGADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305847 609230349 /nfs/dbraw/zinc/23/03/49/609230349.db2.gz KAWUHVRBMCUMQU-MOPGFXCFSA-N -1 3 379.464 3.064 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826430144 609231840 /nfs/dbraw/zinc/23/18/40/609231840.db2.gz VIULQVXEFFJMOH-GXTWGEPZSA-N -1 3 390.369 3.280 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826430144 609231841 /nfs/dbraw/zinc/23/18/41/609231841.db2.gz VIULQVXEFFJMOH-GXTWGEPZSA-N -1 3 390.369 3.280 20 0 GGADHM O=C(NCCSCc1ccc(Cl)cc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826439103 609233088 /nfs/dbraw/zinc/23/30/88/609233088.db2.gz FHQNKMDUNWXMFH-UHFFFAOYSA-N -1 3 397.291 3.165 20 0 GGADHM O=C(NCCSCc1ccc(Cl)cc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826439103 609233090 /nfs/dbraw/zinc/23/30/90/609233090.db2.gz FHQNKMDUNWXMFH-UHFFFAOYSA-N -1 3 397.291 3.165 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825125507 609239603 /nfs/dbraw/zinc/23/96/03/609239603.db2.gz CTSDIIBYJZUCNS-WOJBJXKFSA-N -1 3 393.491 3.078 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825125507 609239604 /nfs/dbraw/zinc/23/96/04/609239604.db2.gz CTSDIIBYJZUCNS-WOJBJXKFSA-N -1 3 393.491 3.078 20 0 GGADHM C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825012553 609242578 /nfs/dbraw/zinc/24/25/78/609242578.db2.gz JKDKPQHRDRDXJS-LHSJRXKWSA-N -1 3 390.491 3.173 20 0 GGADHM C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825012553 609242581 /nfs/dbraw/zinc/24/25/81/609242581.db2.gz JKDKPQHRDRDXJS-LHSJRXKWSA-N -1 3 390.491 3.173 20 0 GGADHM OC1CCN(c2ccc(NC3C4CC5CC(C4)CC3C5)cc2-c2nnn[n-]2)CC1 ZINC000826507680 609243045 /nfs/dbraw/zinc/24/30/45/609243045.db2.gz UJBVHKQQDSDDLB-UHFFFAOYSA-N -1 3 394.523 3.064 20 0 GGADHM OC1CCN(c2ccc(NC3C4CC5CC(C4)CC3C5)cc2-c2nn[n-]n2)CC1 ZINC000826507680 609243047 /nfs/dbraw/zinc/24/30/47/609243047.db2.gz UJBVHKQQDSDDLB-UHFFFAOYSA-N -1 3 394.523 3.064 20 0 GGADHM C[C@H](Nc1ccn(CCc2ccncc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662435 609243631 /nfs/dbraw/zinc/24/36/31/609243631.db2.gz KFVJCWAVIYHRDV-ZDUSSCGKSA-N -1 3 378.415 3.013 20 0 GGADHM C[C@H](Nc1ccn(CCc2ccncc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662435 609243633 /nfs/dbraw/zinc/24/36/33/609243633.db2.gz KFVJCWAVIYHRDV-ZDUSSCGKSA-N -1 3 378.415 3.013 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824761888 609243876 /nfs/dbraw/zinc/24/38/76/609243876.db2.gz CXJGZNUYMZUKCW-ZJNRKIDTSA-N -1 3 399.882 3.204 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824761888 609243877 /nfs/dbraw/zinc/24/38/77/609243877.db2.gz CXJGZNUYMZUKCW-ZJNRKIDTSA-N -1 3 399.882 3.204 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465105 609248283 /nfs/dbraw/zinc/24/82/83/609248283.db2.gz ZBLGLFUTVNUYGI-UHFFFAOYSA-N -1 3 388.349 3.449 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465105 609248285 /nfs/dbraw/zinc/24/82/85/609248285.db2.gz ZBLGLFUTVNUYGI-UHFFFAOYSA-N -1 3 388.349 3.449 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824135390 609257993 /nfs/dbraw/zinc/25/79/93/609257993.db2.gz DZSHWDDGAVBUOQ-LJQANCHMSA-N -1 3 391.475 3.177 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824135390 609257994 /nfs/dbraw/zinc/25/79/94/609257994.db2.gz DZSHWDDGAVBUOQ-LJQANCHMSA-N -1 3 391.475 3.177 20 0 GGADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1N1CCCC1=O ZINC000826180858 609267706 /nfs/dbraw/zinc/26/77/06/609267706.db2.gz ZZEJKCXHNWVRLW-GFCCVEGCSA-N -1 3 396.426 3.314 20 0 GGADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1N1CCCC1=O ZINC000826180858 609267707 /nfs/dbraw/zinc/26/77/07/609267707.db2.gz ZZEJKCXHNWVRLW-GFCCVEGCSA-N -1 3 396.426 3.314 20 0 GGADHM CC(C)CN1CC(=O)N(Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1=O ZINC000824261562 609275659 /nfs/dbraw/zinc/27/56/59/609275659.db2.gz MVHUDGLAENXXSP-UHFFFAOYSA-N -1 3 396.476 3.015 20 0 GGADHM COc1ccccc1CCCNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826219432 609277665 /nfs/dbraw/zinc/27/76/65/609277665.db2.gz BSORTHCMIOBNES-UHFFFAOYSA-N -1 3 393.426 3.245 20 0 GGADHM COc1ccc(Cl)cc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826208680 609278576 /nfs/dbraw/zinc/27/85/76/609278576.db2.gz VTOSFTQNUOKORC-UHFFFAOYSA-N -1 3 399.817 3.466 20 0 GGADHM CCCc1nc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cs1 ZINC000825351220 609278989 /nfs/dbraw/zinc/27/89/89/609278989.db2.gz ARFUHSZFRGHHDT-UHFFFAOYSA-N -1 3 384.444 3.213 20 0 GGADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824993027 609279694 /nfs/dbraw/zinc/27/96/94/609279694.db2.gz OPXDYOHXYCHJOT-ZNMIVQPWSA-N -1 3 379.468 3.048 20 0 GGADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824993027 609279695 /nfs/dbraw/zinc/27/96/95/609279695.db2.gz OPXDYOHXYCHJOT-ZNMIVQPWSA-N -1 3 379.468 3.048 20 0 GGADHM Cc1nc2cc(NCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)ccc2s1 ZINC000826329305 609281300 /nfs/dbraw/zinc/28/13/00/609281300.db2.gz XYAKGLYZCIEJQV-UHFFFAOYSA-N -1 3 390.432 3.447 20 0 GGADHM Cc1nc2cc(NCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)ccc2s1 ZINC000826329305 609281302 /nfs/dbraw/zinc/28/13/02/609281302.db2.gz XYAKGLYZCIEJQV-UHFFFAOYSA-N -1 3 390.432 3.447 20 0 GGADHM C[C@@]1(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCOC1 ZINC000824782962 609281592 /nfs/dbraw/zinc/28/15/92/609281592.db2.gz AWWXISUXXBWAIZ-HXUWFJFHSA-N -1 3 380.404 3.381 20 0 GGADHM C[C@@]1(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCOC1 ZINC000824782962 609281594 /nfs/dbraw/zinc/28/15/94/609281594.db2.gz AWWXISUXXBWAIZ-HXUWFJFHSA-N -1 3 380.404 3.381 20 0 GGADHM Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328427 609287652 /nfs/dbraw/zinc/28/76/52/609287652.db2.gz QXTXXFJQOZUAGG-JTQLQIEISA-N -1 3 380.433 3.191 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(F)cc1F ZINC000826260441 609287676 /nfs/dbraw/zinc/28/76/76/609287676.db2.gz OATVMULDZCVWFI-UHFFFAOYSA-N -1 3 399.336 3.030 20 0 GGADHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000824135216 609290812 /nfs/dbraw/zinc/29/08/12/609290812.db2.gz CBOQXHSKUZDDRC-KRWDZBQOSA-N -1 3 399.882 3.281 20 0 GGADHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000824135216 609290814 /nfs/dbraw/zinc/29/08/14/609290814.db2.gz CBOQXHSKUZDDRC-KRWDZBQOSA-N -1 3 399.882 3.281 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000826458607 609291918 /nfs/dbraw/zinc/29/19/18/609291918.db2.gz XXFMQXULJLGZDV-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826296079 609293045 /nfs/dbraw/zinc/29/30/45/609293045.db2.gz IXJULRPQQNSSSO-CYBMUJFWSA-N -1 3 391.410 3.242 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCSC2(CCCCC2)C1 ZINC000826473471 609294082 /nfs/dbraw/zinc/29/40/82/609294082.db2.gz ZLOKSWXZLSVFEY-UHFFFAOYSA-N -1 3 377.901 3.412 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCSC2(CCCCC2)C1 ZINC000826473471 609294084 /nfs/dbraw/zinc/29/40/84/609294084.db2.gz ZLOKSWXZLSVFEY-UHFFFAOYSA-N -1 3 377.901 3.412 20 0 GGADHM C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824679789 609295015 /nfs/dbraw/zinc/29/50/15/609295015.db2.gz VXLBPOSBWOUTQU-LIRRHRJNSA-N -1 3 393.447 3.035 20 0 GGADHM C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824679789 609295016 /nfs/dbraw/zinc/29/50/16/609295016.db2.gz VXLBPOSBWOUTQU-LIRRHRJNSA-N -1 3 393.447 3.035 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)N1CCC=C(F)C1 ZINC000826473922 609296015 /nfs/dbraw/zinc/29/60/15/609296015.db2.gz UBLFGHABRFAEGS-UHFFFAOYSA-N -1 3 379.395 3.145 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)N1CCC=C(F)C1 ZINC000826473922 609296017 /nfs/dbraw/zinc/29/60/17/609296017.db2.gz UBLFGHABRFAEGS-UHFFFAOYSA-N -1 3 379.395 3.145 20 0 GGADHM CCOC(=O)Nc1ccc(OC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825553764 609299907 /nfs/dbraw/zinc/29/99/07/609299907.db2.gz VXJWNLZDDHUGJX-UHFFFAOYSA-N -1 3 387.783 3.308 20 0 GGADHM CCOC(=O)Nc1ccc(OC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825553764 609299908 /nfs/dbraw/zinc/29/99/08/609299908.db2.gz VXJWNLZDDHUGJX-UHFFFAOYSA-N -1 3 387.783 3.308 20 0 GGADHM CCNc1nnc(SCc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000825484695 609307118 /nfs/dbraw/zinc/30/71/18/609307118.db2.gz AAOLNMXCAKQHPH-UHFFFAOYSA-N -1 3 398.315 3.205 20 0 GGADHM CCNc1nnc(SCc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000825484695 609307120 /nfs/dbraw/zinc/30/71/20/609307120.db2.gz AAOLNMXCAKQHPH-UHFFFAOYSA-N -1 3 398.315 3.205 20 0 GGADHM Cc1nnc(SCc2csc(Br)c2)c(-c2nnn[n-]2)c1C ZINC000826337371 609308837 /nfs/dbraw/zinc/30/88/37/609308837.db2.gz MJALXOAPJVALPA-UHFFFAOYSA-N -1 3 383.300 3.390 20 0 GGADHM O=C1CCc2c1cccc2OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826480949 609308665 /nfs/dbraw/zinc/30/86/65/609308665.db2.gz ZJILOBJVJTWODY-UHFFFAOYSA-N -1 3 385.221 3.337 20 0 GGADHM O=C1CCc2c1cccc2OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826480949 609308667 /nfs/dbraw/zinc/30/86/67/609308667.db2.gz ZJILOBJVJTWODY-UHFFFAOYSA-N -1 3 385.221 3.337 20 0 GGADHM Cc1nnc(SCc2csc(Br)c2)c(-c2nn[n-]n2)c1C ZINC000826337371 609308838 /nfs/dbraw/zinc/30/88/38/609308838.db2.gz MJALXOAPJVALPA-UHFFFAOYSA-N -1 3 383.300 3.390 20 0 GGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1C ZINC000825080924 609314667 /nfs/dbraw/zinc/31/46/67/609314667.db2.gz DCXBKLMWSIQHJR-GFCCVEGCSA-N -1 3 383.456 3.382 20 0 GGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1C ZINC000825080924 609314668 /nfs/dbraw/zinc/31/46/68/609314668.db2.gz DCXBKLMWSIQHJR-GFCCVEGCSA-N -1 3 383.456 3.382 20 0 GGADHM CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCCO1 ZINC000824808534 609320567 /nfs/dbraw/zinc/32/05/67/609320567.db2.gz UWYBLAXOAPBWLW-UHFFFAOYSA-N -1 3 393.447 3.300 20 0 GGADHM CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCCO1 ZINC000824808534 609320568 /nfs/dbraw/zinc/32/05/68/609320568.db2.gz UWYBLAXOAPBWLW-UHFFFAOYSA-N -1 3 393.447 3.300 20 0 GGADHM CCc1cc(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)on1 ZINC000825700832 609322843 /nfs/dbraw/zinc/32/28/43/609322843.db2.gz VFIRHYMIYMJHAE-UHFFFAOYSA-N -1 3 390.403 3.139 20 0 GGADHM CCc1cc(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)on1 ZINC000825700832 609322845 /nfs/dbraw/zinc/32/28/45/609322845.db2.gz VFIRHYMIYMJHAE-UHFFFAOYSA-N -1 3 390.403 3.139 20 0 GGADHM CN(C[C@@H]1CCCC[C@H]1O)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000825908486 609325416 /nfs/dbraw/zinc/32/54/16/609325416.db2.gz IIVHHYBACLGBBU-IINYFYTJSA-N -1 3 390.850 3.195 20 0 GGADHM CN(C[C@@H]1CCCC[C@H]1O)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000825908486 609325418 /nfs/dbraw/zinc/32/54/18/609325418.db2.gz IIVHHYBACLGBBU-IINYFYTJSA-N -1 3 390.850 3.195 20 0 GGADHM Cc1cc(CSCc2ccc(-c3nnn[n-]3)cc2Br)nn1C ZINC000826267754 609329683 /nfs/dbraw/zinc/32/96/83/609329683.db2.gz VADAVCKNYSSWMV-UHFFFAOYSA-N -1 3 379.287 3.105 20 0 GGADHM Cc1cc(CSCc2ccc(-c3nn[n-]n3)cc2Br)nn1C ZINC000826267754 609329685 /nfs/dbraw/zinc/32/96/85/609329685.db2.gz VADAVCKNYSSWMV-UHFFFAOYSA-N -1 3 379.287 3.105 20 0 GGADHM C[C@H](SCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC000824756828 609331700 /nfs/dbraw/zinc/33/17/00/609331700.db2.gz QAZNFCMJDINSIQ-NSHDSACASA-N -1 3 380.433 3.441 20 0 GGADHM C[C@H](SCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC000824756828 609331702 /nfs/dbraw/zinc/33/17/02/609331702.db2.gz QAZNFCMJDINSIQ-NSHDSACASA-N -1 3 380.433 3.441 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000826401778 609334065 /nfs/dbraw/zinc/33/40/65/609334065.db2.gz GMEHXHLHNJDCOS-QXPKXGMISA-N -1 3 379.395 3.049 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000826401778 609334066 /nfs/dbraw/zinc/33/40/66/609334066.db2.gz GMEHXHLHNJDCOS-QXPKXGMISA-N -1 3 379.395 3.049 20 0 GGADHM O=C(OCc1ccc(Cl)cn1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826465468 609348992 /nfs/dbraw/zinc/34/89/92/609348992.db2.gz OIGZGCPTVBPJJW-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM O=C(OCc1ccc(Cl)cn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826465468 609348994 /nfs/dbraw/zinc/34/89/94/609348994.db2.gz OIGZGCPTVBPJJW-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM CC(C)n1cccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824371612 609349389 /nfs/dbraw/zinc/34/93/89/609349389.db2.gz LPVMIQZGJFHNAW-UHFFFAOYSA-N -1 3 390.241 3.369 20 0 GGADHM CC(C)n1cccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824371612 609349390 /nfs/dbraw/zinc/34/93/90/609349390.db2.gz LPVMIQZGJFHNAW-UHFFFAOYSA-N -1 3 390.241 3.369 20 0 GGADHM COCCn1ncc2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000826163854 609349514 /nfs/dbraw/zinc/34/95/14/609349514.db2.gz OOZRZYZZLIOXQD-GFCCVEGCSA-N -1 3 381.415 3.175 20 0 GGADHM COCCn1ncc2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000826163854 609349516 /nfs/dbraw/zinc/34/95/16/609349516.db2.gz OOZRZYZZLIOXQD-GFCCVEGCSA-N -1 3 381.415 3.175 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826418084 609350686 /nfs/dbraw/zinc/35/06/86/609350686.db2.gz QOBSCRPGFFKQMT-LJQANCHMSA-N -1 3 377.448 3.293 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826418084 609350687 /nfs/dbraw/zinc/35/06/87/609350687.db2.gz QOBSCRPGFFKQMT-LJQANCHMSA-N -1 3 377.448 3.293 20 0 GGADHM CCN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C1CCCCC1 ZINC000825376523 609358658 /nfs/dbraw/zinc/35/86/58/609358658.db2.gz IHDLGHNKXPNKSO-UHFFFAOYSA-N -1 3 398.446 3.378 20 0 GGADHM Cc1ncsc1CN(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826331834 609362463 /nfs/dbraw/zinc/36/24/63/609362463.db2.gz ZUAOJQYWGGZKNX-UHFFFAOYSA-N -1 3 379.287 3.026 20 0 GGADHM Cc1ncsc1CN(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826331834 609362464 /nfs/dbraw/zinc/36/24/64/609362464.db2.gz ZUAOJQYWGGZKNX-UHFFFAOYSA-N -1 3 379.287 3.026 20 0 GGADHM CN(Cc1ccncc1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825985874 609366975 /nfs/dbraw/zinc/36/69/75/609366975.db2.gz DMUUXDYLFGNLND-UHFFFAOYSA-N -1 3 386.415 3.326 20 0 GGADHM CN(Cc1ccncc1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825985874 609366976 /nfs/dbraw/zinc/36/69/76/609366976.db2.gz DMUUXDYLFGNLND-UHFFFAOYSA-N -1 3 386.415 3.326 20 0 GGADHM FC(F)(F)CN(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000826367671 609367412 /nfs/dbraw/zinc/36/74/12/609367412.db2.gz JOZLICHPPCYVEB-UHFFFAOYSA-N -1 3 376.180 3.156 20 0 GGADHM FC(F)(F)CN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000826367671 609367413 /nfs/dbraw/zinc/36/74/13/609367413.db2.gz JOZLICHPPCYVEB-UHFFFAOYSA-N -1 3 376.180 3.156 20 0 GGADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cncc(F)c1 ZINC000824523341 609367587 /nfs/dbraw/zinc/36/75/87/609367587.db2.gz ZTWWGKWUFHAIAV-MRVPVSSYSA-N -1 3 377.836 3.102 20 0 GGADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncc(F)c1 ZINC000824523341 609367590 /nfs/dbraw/zinc/36/75/90/609367590.db2.gz ZTWWGKWUFHAIAV-MRVPVSSYSA-N -1 3 377.836 3.102 20 0 GGADHM Fc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)cc1Br)CC2 ZINC000826376328 609368168 /nfs/dbraw/zinc/36/81/68/609368168.db2.gz YIZIJBBFYBKARW-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)cc1Br)CC2 ZINC000826376328 609368170 /nfs/dbraw/zinc/36/81/70/609368170.db2.gz YIZIJBBFYBKARW-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CCO1 ZINC000824216902 609370488 /nfs/dbraw/zinc/37/04/88/609370488.db2.gz WXFQBXGWIMWGHN-DGCLKSJQSA-N -1 3 375.498 3.197 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CCO1 ZINC000824216902 609370493 /nfs/dbraw/zinc/37/04/93/609370493.db2.gz WXFQBXGWIMWGHN-DGCLKSJQSA-N -1 3 375.498 3.197 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000826112144 609373763 /nfs/dbraw/zinc/37/37/63/609373763.db2.gz TUMWWKMNNJQYPE-KRWDZBQOSA-N -1 3 383.383 3.162 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000826112144 609373764 /nfs/dbraw/zinc/37/37/64/609373764.db2.gz TUMWWKMNNJQYPE-KRWDZBQOSA-N -1 3 383.383 3.162 20 0 GGADHM COC(=O)[C@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1)C1CC1 ZINC000826112206 609373793 /nfs/dbraw/zinc/37/37/93/609373793.db2.gz VBORBYOULAQPEU-GOSISDBHSA-N -1 3 395.419 3.031 20 0 GGADHM COC(=O)[C@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1)C1CC1 ZINC000826112206 609373796 /nfs/dbraw/zinc/37/37/96/609373796.db2.gz VBORBYOULAQPEU-GOSISDBHSA-N -1 3 395.419 3.031 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CCO1 ZINC000824216418 609374784 /nfs/dbraw/zinc/37/47/84/609374784.db2.gz RCHDXRWMFVLSJC-LPHOPBHVSA-N -1 3 383.496 3.199 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CCO1 ZINC000824216418 609374786 /nfs/dbraw/zinc/37/47/86/609374786.db2.gz RCHDXRWMFVLSJC-LPHOPBHVSA-N -1 3 383.496 3.199 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)cc1F ZINC000824192891 609375188 /nfs/dbraw/zinc/37/51/88/609375188.db2.gz OFGNNZBWRMXLTL-OAHLLOKOSA-N -1 3 376.823 3.125 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)cc1F ZINC000824192891 609375189 /nfs/dbraw/zinc/37/51/89/609375189.db2.gz OFGNNZBWRMXLTL-OAHLLOKOSA-N -1 3 376.823 3.125 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000825317962 609375737 /nfs/dbraw/zinc/37/57/37/609375737.db2.gz FEKBDAIIQKXUGA-PKOBYXMFSA-N -1 3 385.512 3.447 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000825317962 609375739 /nfs/dbraw/zinc/37/57/39/609375739.db2.gz FEKBDAIIQKXUGA-PKOBYXMFSA-N -1 3 385.512 3.447 20 0 GGADHM CCCn1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)cn1 ZINC000825357128 609380584 /nfs/dbraw/zinc/38/05/84/609380584.db2.gz ZJQJTTOGQHKIJI-UHFFFAOYSA-N -1 3 379.449 3.454 20 0 GGADHM CCCn1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)cn1 ZINC000825357128 609380586 /nfs/dbraw/zinc/38/05/86/609380586.db2.gz ZJQJTTOGQHKIJI-UHFFFAOYSA-N -1 3 379.449 3.454 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000826277818 609382268 /nfs/dbraw/zinc/38/22/68/609382268.db2.gz HWVMZJSOWMAWPV-HNNXBMFYSA-N -1 3 382.399 3.350 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000826277818 609382270 /nfs/dbraw/zinc/38/22/70/609382270.db2.gz HWVMZJSOWMAWPV-HNNXBMFYSA-N -1 3 382.399 3.350 20 0 GGADHM COC[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826153104 609383647 /nfs/dbraw/zinc/38/36/47/609383647.db2.gz BPJNACINHDRWKL-OAHLLOKOSA-N -1 3 393.447 3.158 20 0 GGADHM COC[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826153104 609383649 /nfs/dbraw/zinc/38/36/49/609383649.db2.gz BPJNACINHDRWKL-OAHLLOKOSA-N -1 3 393.447 3.158 20 0 GGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825049751 609385530 /nfs/dbraw/zinc/38/55/30/609385530.db2.gz DPLCOORDKZBROT-SPLOXXLWSA-N -1 3 395.463 3.186 20 0 GGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825049751 609385532 /nfs/dbraw/zinc/38/55/32/609385532.db2.gz DPLCOORDKZBROT-SPLOXXLWSA-N -1 3 395.463 3.186 20 0 GGADHM OCC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1Br ZINC000826509000 609388464 /nfs/dbraw/zinc/38/84/64/609388464.db2.gz IXRPMVVFNDHKQQ-ZDUSSCGKSA-N -1 3 392.232 3.304 20 0 GGADHM OCC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1Br ZINC000826509000 609388466 /nfs/dbraw/zinc/38/84/66/609388466.db2.gz IXRPMVVFNDHKQQ-ZDUSSCGKSA-N -1 3 392.232 3.304 20 0 GGADHM OCC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1Br ZINC000826508999 609388632 /nfs/dbraw/zinc/38/86/32/609388632.db2.gz IXRPMVVFNDHKQQ-CYBMUJFWSA-N -1 3 392.232 3.304 20 0 GGADHM OCC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1Br ZINC000826508999 609388635 /nfs/dbraw/zinc/38/86/35/609388635.db2.gz IXRPMVVFNDHKQQ-CYBMUJFWSA-N -1 3 392.232 3.304 20 0 GGADHM C[C@H]1C[C@H](COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCO1 ZINC000824886307 609390862 /nfs/dbraw/zinc/39/08/62/609390862.db2.gz WYWYLRTUFRLZJF-UONOGXRCSA-N -1 3 395.419 3.026 20 0 GGADHM C[C@H]1C[C@H](COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCO1 ZINC000824886307 609390863 /nfs/dbraw/zinc/39/08/63/609390863.db2.gz WYWYLRTUFRLZJF-UONOGXRCSA-N -1 3 395.419 3.026 20 0 GGADHM C[C@@H]1C[C@H](COC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824886324 609390992 /nfs/dbraw/zinc/39/09/92/609390992.db2.gz XBOMQSBLFXHCAX-ZIAGYGMSSA-N -1 3 398.419 3.011 20 0 GGADHM C[C@@H]1C[C@H](COC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824886324 609390996 /nfs/dbraw/zinc/39/09/96/609390996.db2.gz XBOMQSBLFXHCAX-ZIAGYGMSSA-N -1 3 398.419 3.011 20 0 GGADHM C[C@@H]1C[C@@H](COC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824886322 609391003 /nfs/dbraw/zinc/39/10/03/609391003.db2.gz XBOMQSBLFXHCAX-KGLIPLIRSA-N -1 3 398.419 3.011 20 0 GGADHM C[C@@H]1C[C@@H](COC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824886322 609391006 /nfs/dbraw/zinc/39/10/06/609391006.db2.gz XBOMQSBLFXHCAX-KGLIPLIRSA-N -1 3 398.419 3.011 20 0 GGADHM CC(C)Cn1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cn1 ZINC000824280846 609396174 /nfs/dbraw/zinc/39/61/74/609396174.db2.gz WOUVYVQSARESHP-UHFFFAOYSA-N -1 3 394.464 3.095 20 0 GGADHM CC(C)Cn1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cn1 ZINC000824280846 609396176 /nfs/dbraw/zinc/39/61/76/609396176.db2.gz WOUVYVQSARESHP-UHFFFAOYSA-N -1 3 394.464 3.095 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824217285 609400673 /nfs/dbraw/zinc/40/06/73/609400673.db2.gz ZUZDIYNFVLKFAG-CRAIPNDOSA-N -1 3 388.468 3.020 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824217285 609400674 /nfs/dbraw/zinc/40/06/74/609400674.db2.gz ZUZDIYNFVLKFAG-CRAIPNDOSA-N -1 3 388.468 3.020 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1ccccc1N1CCCCC1 ZINC000826401862 609401856 /nfs/dbraw/zinc/40/18/56/609401856.db2.gz ILRIEMIUAWZRDQ-OUKQBFOZSA-N -1 3 388.475 3.187 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1ccccc1N1CCCCC1 ZINC000826401862 609401860 /nfs/dbraw/zinc/40/18/60/609401860.db2.gz ILRIEMIUAWZRDQ-OUKQBFOZSA-N -1 3 388.475 3.187 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000825182644 609403801 /nfs/dbraw/zinc/40/38/01/609403801.db2.gz LKBGNFTVDVSWNN-DNVCBOLYSA-N -1 3 381.480 3.078 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCO1 ZINC000825182644 609403803 /nfs/dbraw/zinc/40/38/03/609403803.db2.gz LKBGNFTVDVSWNN-DNVCBOLYSA-N -1 3 381.480 3.078 20 0 GGADHM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826430974 609404354 /nfs/dbraw/zinc/40/43/54/609404354.db2.gz OLOLOXSVEPFXHG-OAHLLOKOSA-N -1 3 387.802 3.303 20 0 GGADHM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826430974 609404355 /nfs/dbraw/zinc/40/43/55/609404355.db2.gz OLOLOXSVEPFXHG-OAHLLOKOSA-N -1 3 387.802 3.303 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cncc(F)c2)cc1-c1nnn[n-]1 ZINC000824329439 609405336 /nfs/dbraw/zinc/40/53/36/609405336.db2.gz QFRQZZONQHLKDP-NSHDSACASA-N -1 3 385.403 3.071 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cncc(F)c2)cc1-c1nn[n-]n1 ZINC000824329439 609405338 /nfs/dbraw/zinc/40/53/38/609405338.db2.gz QFRQZZONQHLKDP-NSHDSACASA-N -1 3 385.403 3.071 20 0 GGADHM COc1ccc(Cl)cc1N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826208611 609406637 /nfs/dbraw/zinc/40/66/37/609406637.db2.gz RZSRBSHMFCMTJN-HNNXBMFYSA-N -1 3 398.854 3.136 20 0 GGADHM COc1ccc(Cl)cc1N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826208611 609406638 /nfs/dbraw/zinc/40/66/38/609406638.db2.gz RZSRBSHMFCMTJN-HNNXBMFYSA-N -1 3 398.854 3.136 20 0 GGADHM CCC(=O)c1cccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000825039825 609408028 /nfs/dbraw/zinc/40/80/28/609408028.db2.gz WVALQZAHJOHBCN-SFHVURJKSA-N -1 3 390.447 3.067 20 0 GGADHM CCC(=O)c1cccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000825039825 609408029 /nfs/dbraw/zinc/40/80/29/609408029.db2.gz WVALQZAHJOHBCN-SFHVURJKSA-N -1 3 390.447 3.067 20 0 GGADHM CCOc1cc(F)ccc1N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825615943 609408114 /nfs/dbraw/zinc/40/81/14/609408114.db2.gz QEIXHMXYXNNIEJ-QGZVFWFLSA-N -1 3 396.426 3.012 20 0 GGADHM CCOc1cc(F)ccc1N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825615943 609408116 /nfs/dbraw/zinc/40/81/16/609408116.db2.gz QEIXHMXYXNNIEJ-QGZVFWFLSA-N -1 3 396.426 3.012 20 0 GGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)cc1C)[C@H]2C ZINC000826212255 609408241 /nfs/dbraw/zinc/40/82/41/609408241.db2.gz LDGMRHTWKQSGBZ-KBPBESRZSA-N -1 3 377.448 3.332 20 0 GGADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)cc1C)[C@H]2C ZINC000826212255 609408242 /nfs/dbraw/zinc/40/82/42/609408242.db2.gz LDGMRHTWKQSGBZ-KBPBESRZSA-N -1 3 377.448 3.332 20 0 GGADHM O=C1[C@@H](Sc2ccc(Cl)cn2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477903 609409574 /nfs/dbraw/zinc/40/95/74/609409574.db2.gz PESUKNFKRJTZIQ-AWEZNQCLSA-N -1 3 386.868 3.203 20 0 GGADHM O=C1[C@@H](Sc2ccc(Cl)cn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477903 609409575 /nfs/dbraw/zinc/40/95/75/609409575.db2.gz PESUKNFKRJTZIQ-AWEZNQCLSA-N -1 3 386.868 3.203 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2c(C)cc(OC)nc2C)cc1-c1nnn[n-]1 ZINC000825552651 609410259 /nfs/dbraw/zinc/41/02/59/609410259.db2.gz BVYLQGNRDYXANH-UHFFFAOYSA-N -1 3 397.439 3.068 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2c(C)cc(OC)nc2C)cc1-c1nn[n-]n1 ZINC000825552651 609410261 /nfs/dbraw/zinc/41/02/61/609410261.db2.gz BVYLQGNRDYXANH-UHFFFAOYSA-N -1 3 397.439 3.068 20 0 GGADHM O=C1[C@H](Sc2nc3ccccc3[nH]2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478219 609414066 /nfs/dbraw/zinc/41/40/66/609414066.db2.gz XBCLSDCSKGSELD-MRXNPFEDSA-N -1 3 391.460 3.031 20 0 GGADHM O=C1[C@H](Sc2nc3ccccc3[nH]2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478219 609414068 /nfs/dbraw/zinc/41/40/68/609414068.db2.gz XBCLSDCSKGSELD-MRXNPFEDSA-N -1 3 391.460 3.031 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCC1(c2ccccc2)CCOCC1 ZINC000824019607 609421389 /nfs/dbraw/zinc/42/13/89/609421389.db2.gz IGIRUMDHPGSFCQ-UHFFFAOYSA-N -1 3 377.448 3.230 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCC1(c2ccccc2)CCOCC1 ZINC000824019607 609421392 /nfs/dbraw/zinc/42/13/92/609421392.db2.gz IGIRUMDHPGSFCQ-UHFFFAOYSA-N -1 3 377.448 3.230 20 0 GGADHM O=C1[C@H](SC2=Nc3ccccc3C2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477342 609421386 /nfs/dbraw/zinc/42/13/86/609421386.db2.gz AKCSBWIGUOYJBI-QGZVFWFLSA-N -1 3 390.472 3.382 20 0 GGADHM O=C1[C@H](SC2=Nc3ccccc3C2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477342 609421390 /nfs/dbraw/zinc/42/13/90/609421390.db2.gz AKCSBWIGUOYJBI-QGZVFWFLSA-N -1 3 390.472 3.382 20 0 GGADHM COc1ccccc1N1CC[C@@H](CNc2cc(-c3nnn[n-]3)ccc2C(C)=O)C1 ZINC000826220302 609422043 /nfs/dbraw/zinc/42/20/43/609422043.db2.gz JHPBAISUWULDTC-HNNXBMFYSA-N -1 3 392.463 3.016 20 0 GGADHM COc1ccccc1N1CC[C@@H](CNc2cc(-c3nn[n-]n3)ccc2C(C)=O)C1 ZINC000826220302 609422044 /nfs/dbraw/zinc/42/20/44/609422044.db2.gz JHPBAISUWULDTC-HNNXBMFYSA-N -1 3 392.463 3.016 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826412792 609428888 /nfs/dbraw/zinc/42/88/88/609428888.db2.gz DCSFVGWJOURPEW-UHFFFAOYSA-N -1 3 394.454 3.260 20 0 GGADHM COCc1cc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000826164276 609437833 /nfs/dbraw/zinc/43/78/33/609437833.db2.gz NVMJHUPNJXELJY-UHFFFAOYSA-N -1 3 375.392 3.339 20 0 GGADHM COCc1cc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000826164276 609437836 /nfs/dbraw/zinc/43/78/36/609437836.db2.gz NVMJHUPNJXELJY-UHFFFAOYSA-N -1 3 375.392 3.339 20 0 GGADHM Fc1ccc(-n2nc(CNc3cccc(-c4nnn[n-]4)c3)c3c2CCC3)cc1 ZINC000826373524 609438414 /nfs/dbraw/zinc/43/84/14/609438414.db2.gz PIUPBANEJKAVMR-UHFFFAOYSA-N -1 3 375.411 3.292 20 0 GGADHM Fc1ccc(-n2nc(CNc3cccc(-c4nn[n-]n4)c3)c3c2CCC3)cc1 ZINC000826373524 609438415 /nfs/dbraw/zinc/43/84/15/609438415.db2.gz PIUPBANEJKAVMR-UHFFFAOYSA-N -1 3 375.411 3.292 20 0 GGADHM CC(C)Nc1cccc(F)c1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824304903 609439277 /nfs/dbraw/zinc/43/92/77/609439277.db2.gz ITIBXIGODPNWEV-UHFFFAOYSA-N -1 3 394.414 3.488 20 0 GGADHM CC(C)Nc1cccc(F)c1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824304903 609439280 /nfs/dbraw/zinc/43/92/80/609439280.db2.gz ITIBXIGODPNWEV-UHFFFAOYSA-N -1 3 394.414 3.488 20 0 GGADHM CC(C)Oc1cc(F)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824319516 609439586 /nfs/dbraw/zinc/43/95/86/609439586.db2.gz SRJDZVLDYGYMKZ-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CC(C)Oc1cc(F)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824319516 609439589 /nfs/dbraw/zinc/43/95/89/609439589.db2.gz SRJDZVLDYGYMKZ-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC000543872514 609441002 /nfs/dbraw/zinc/44/10/02/609441002.db2.gz WETZIMXNPGXBGP-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC000543872514 609441007 /nfs/dbraw/zinc/44/10/07/609441007.db2.gz WETZIMXNPGXBGP-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(F)cc1 ZINC000542054511 609441069 /nfs/dbraw/zinc/44/10/69/609441069.db2.gz KQTJIGOWLULLNE-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(F)cc1 ZINC000542054511 609441072 /nfs/dbraw/zinc/44/10/72/609441072.db2.gz KQTJIGOWLULLNE-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM C[C@@H](Nc1ncnc2nccnc21)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824669724 609441448 /nfs/dbraw/zinc/44/14/48/609441448.db2.gz HDOXFVQZABFFBH-CYBMUJFWSA-N -1 3 395.430 3.440 20 0 GGADHM C[C@@H](Nc1ncnc2nccnc21)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824669724 609441450 /nfs/dbraw/zinc/44/14/50/609441450.db2.gz HDOXFVQZABFFBH-CYBMUJFWSA-N -1 3 395.430 3.440 20 0 GGADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCOCC1 ZINC000825165128 609441607 /nfs/dbraw/zinc/44/16/07/609441607.db2.gz SZCGLKSESNNZEO-UHFFFAOYSA-N -1 3 398.492 3.059 20 0 GGADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCOCC1 ZINC000825165128 609441608 /nfs/dbraw/zinc/44/16/08/609441608.db2.gz SZCGLKSESNNZEO-UHFFFAOYSA-N -1 3 398.492 3.059 20 0 GGADHM Cc1[nH]c2ccc(F)cc2c1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000826233256 609442982 /nfs/dbraw/zinc/44/29/82/609442982.db2.gz AARZDUHIILUUAO-RQZCQDPDSA-N -1 3 388.362 3.140 20 0 GGADHM Cc1[nH]c2ccc(F)cc2c1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000826233256 609442985 /nfs/dbraw/zinc/44/29/85/609442985.db2.gz AARZDUHIILUUAO-RQZCQDPDSA-N -1 3 388.362 3.140 20 0 GGADHM Clc1ncc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)s1 ZINC000826353831 609444320 /nfs/dbraw/zinc/44/43/20/609444320.db2.gz FRLJYFCACMXFAL-UHFFFAOYSA-N -1 3 393.263 3.428 20 0 GGADHM CC(C)c1cnc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000824352401 609446018 /nfs/dbraw/zinc/44/60/18/609446018.db2.gz CHWULJMBUIDGAI-UHFFFAOYSA-N -1 3 384.831 3.429 20 0 GGADHM CC(C)c1cnc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000824352401 609446021 /nfs/dbraw/zinc/44/60/21/609446021.db2.gz CHWULJMBUIDGAI-UHFFFAOYSA-N -1 3 384.831 3.429 20 0 GGADHM CCOc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)nc1 ZINC000825639448 609446171 /nfs/dbraw/zinc/44/61/71/609446171.db2.gz WGFXBJGTLMOJMX-UHFFFAOYSA-N -1 3 396.842 3.112 20 0 GGADHM CCOc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)nc1 ZINC000825639448 609446173 /nfs/dbraw/zinc/44/61/73/609446173.db2.gz WGFXBJGTLMOJMX-UHFFFAOYSA-N -1 3 396.842 3.112 20 0 GGADHM C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824533208 609450127 /nfs/dbraw/zinc/45/01/27/609450127.db2.gz ZTPYRGONYHSJTF-YCRPNKLZSA-N -1 3 398.470 3.411 20 0 GGADHM CC(C)Cn1ncnc1CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824284356 609451944 /nfs/dbraw/zinc/45/19/44/609451944.db2.gz GMXCAEIBOTVBEX-UHFFFAOYSA-N -1 3 383.403 3.425 20 0 GGADHM CC(C)Cn1ncnc1CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824284356 609451945 /nfs/dbraw/zinc/45/19/45/609451945.db2.gz GMXCAEIBOTVBEX-UHFFFAOYSA-N -1 3 383.403 3.425 20 0 GGADHM CCOc1c(Cl)cc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1OC ZINC000825604316 609463871 /nfs/dbraw/zinc/46/38/71/609463871.db2.gz HONPHPFBCYZJSI-UHFFFAOYSA-N -1 3 399.842 3.187 20 0 GGADHM CCOc1c(Cl)cc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1OC ZINC000825604316 609463874 /nfs/dbraw/zinc/46/38/74/609463874.db2.gz HONPHPFBCYZJSI-UHFFFAOYSA-N -1 3 399.842 3.187 20 0 GGADHM O=C(NCc1ccco1)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826443103 609474548 /nfs/dbraw/zinc/47/45/48/609474548.db2.gz AMCZIKDSMPIKEY-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM O=C(NCc1ccco1)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826443103 609474550 /nfs/dbraw/zinc/47/45/50/609474550.db2.gz AMCZIKDSMPIKEY-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000825632508 609477344 /nfs/dbraw/zinc/47/73/44/609477344.db2.gz VPLZLZWLGNZSMD-GFCCVEGCSA-N -1 3 381.436 3.210 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000825632508 609477346 /nfs/dbraw/zinc/47/73/46/609477346.db2.gz VPLZLZWLGNZSMD-GFCCVEGCSA-N -1 3 381.436 3.210 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826224627 609479135 /nfs/dbraw/zinc/47/91/35/609479135.db2.gz ITRJIYALKMEVEJ-VWLOTQADSA-N -1 3 379.848 3.150 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826224627 609479136 /nfs/dbraw/zinc/47/91/36/609479136.db2.gz ITRJIYALKMEVEJ-VWLOTQADSA-N -1 3 379.848 3.150 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccnc1C1CC1 ZINC000824255478 609479901 /nfs/dbraw/zinc/47/99/01/609479901.db2.gz LBGLOVITWJVCDY-UHFFFAOYSA-N -1 3 376.464 3.438 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccnc1C1CC1 ZINC000824255478 609479902 /nfs/dbraw/zinc/47/99/02/609479902.db2.gz LBGLOVITWJVCDY-UHFFFAOYSA-N -1 3 376.464 3.438 20 0 GGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826315202 609481548 /nfs/dbraw/zinc/48/15/48/609481548.db2.gz BRXSYBAGDLSRKZ-HJWRWDBZSA-N -1 3 376.464 3.268 20 0 GGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826315202 609481549 /nfs/dbraw/zinc/48/15/49/609481549.db2.gz BRXSYBAGDLSRKZ-HJWRWDBZSA-N -1 3 376.464 3.268 20 0 GGADHM Clc1cc(NCc2cn[nH]c2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826350742 609484250 /nfs/dbraw/zinc/48/42/50/609484250.db2.gz JDHNLYMMFULVAZ-UHFFFAOYSA-N -1 3 381.827 3.434 20 0 GGADHM Clc1cc(NCc2cn[nH]c2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350742 609484252 /nfs/dbraw/zinc/48/42/52/609484252.db2.gz JDHNLYMMFULVAZ-UHFFFAOYSA-N -1 3 381.827 3.434 20 0 GGADHM COc1ccc(Br)c(CNc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826186968 609484280 /nfs/dbraw/zinc/48/42/80/609484280.db2.gz SJXFWSCZLASQBB-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(Br)c(CNc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826186968 609484281 /nfs/dbraw/zinc/48/42/81/609484281.db2.gz SJXFWSCZLASQBB-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccccc2OCC)cc1-c1nnn[n-]1 ZINC000825552538 609487693 /nfs/dbraw/zinc/48/76/93/609487693.db2.gz ADSFEMFDSXYOME-UHFFFAOYSA-N -1 3 382.424 3.446 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccccc2OCC)cc1-c1nn[n-]n1 ZINC000825552538 609487696 /nfs/dbraw/zinc/48/76/96/609487696.db2.gz ADSFEMFDSXYOME-UHFFFAOYSA-N -1 3 382.424 3.446 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccccc2NC(C)=O)cc1-c1nnn[n-]1 ZINC000825553834 609490553 /nfs/dbraw/zinc/49/05/53/609490553.db2.gz XZPYRYAOSKYMPD-UHFFFAOYSA-N -1 3 395.423 3.006 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccccc2NC(C)=O)cc1-c1nn[n-]n1 ZINC000825553834 609490555 /nfs/dbraw/zinc/49/05/55/609490555.db2.gz XZPYRYAOSKYMPD-UHFFFAOYSA-N -1 3 395.423 3.006 20 0 GGADHM Cc1ccc2oc(SCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)nc2n1 ZINC000826295618 609491115 /nfs/dbraw/zinc/49/11/15/609491115.db2.gz PVAOPVSUDLAMMC-UHFFFAOYSA-N -1 3 392.404 3.054 20 0 GGADHM Cc1ccc2oc(SCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)nc2n1 ZINC000826295618 609491116 /nfs/dbraw/zinc/49/11/16/609491116.db2.gz PVAOPVSUDLAMMC-UHFFFAOYSA-N -1 3 392.404 3.054 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826421496 609501801 /nfs/dbraw/zinc/50/18/01/609501801.db2.gz KRAUWJOQYYILQS-UHFFFAOYSA-N -1 3 381.439 3.488 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826421496 609501804 /nfs/dbraw/zinc/50/18/04/609501804.db2.gz KRAUWJOQYYILQS-UHFFFAOYSA-N -1 3 381.439 3.488 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccccc2)C1 ZINC000826406134 609501872 /nfs/dbraw/zinc/50/18/72/609501872.db2.gz JPKNPXMUROHLEH-UHFFFAOYSA-N -1 3 389.459 3.342 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2)C1 ZINC000826406134 609501874 /nfs/dbraw/zinc/50/18/74/609501874.db2.gz JPKNPXMUROHLEH-UHFFFAOYSA-N -1 3 389.459 3.342 20 0 GGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000824358829 609504141 /nfs/dbraw/zinc/50/41/41/609504141.db2.gz PYYFQXNYYDSHOQ-HNNXBMFYSA-N -1 3 381.440 3.131 20 0 GGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000824358829 609504143 /nfs/dbraw/zinc/50/41/43/609504143.db2.gz PYYFQXNYYDSHOQ-HNNXBMFYSA-N -1 3 381.440 3.131 20 0 GGADHM CCc1cccc(C)c1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825717621 609504335 /nfs/dbraw/zinc/50/43/35/609504335.db2.gz NTMIDJQYNCCEFI-UHFFFAOYSA-N -1 3 387.447 3.484 20 0 GGADHM CCc1cccc(C)c1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825717621 609504338 /nfs/dbraw/zinc/50/43/38/609504338.db2.gz NTMIDJQYNCCEFI-UHFFFAOYSA-N -1 3 387.447 3.484 20 0 GGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000824358830 609504442 /nfs/dbraw/zinc/50/44/42/609504442.db2.gz PYYFQXNYYDSHOQ-OAHLLOKOSA-N -1 3 381.440 3.131 20 0 GGADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000824358830 609504444 /nfs/dbraw/zinc/50/44/44/609504444.db2.gz PYYFQXNYYDSHOQ-OAHLLOKOSA-N -1 3 381.440 3.131 20 0 GGADHM CSc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826230607 609505178 /nfs/dbraw/zinc/50/51/78/609505178.db2.gz BDLDJRASJJQBAU-UHFFFAOYSA-N -1 3 391.460 3.335 20 0 GGADHM CSc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826230607 609505180 /nfs/dbraw/zinc/50/51/80/609505180.db2.gz BDLDJRASJJQBAU-UHFFFAOYSA-N -1 3 391.460 3.335 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825184431 609508712 /nfs/dbraw/zinc/50/87/12/609508712.db2.gz UPYPWFNVELRUAE-NWDGAFQWSA-N -1 3 375.498 3.341 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825184431 609508714 /nfs/dbraw/zinc/50/87/14/609508714.db2.gz UPYPWFNVELRUAE-NWDGAFQWSA-N -1 3 375.498 3.341 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC000824532617 609509689 /nfs/dbraw/zinc/50/96/89/609509689.db2.gz VVQNGNMMQGYGAU-IHRRRGAJSA-N -1 3 394.454 3.023 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OCC)CCO1 ZINC000825253521 609512109 /nfs/dbraw/zinc/51/21/09/609512109.db2.gz NOUYZYPHWUXWIL-AAEUAGOBSA-N -1 3 394.859 3.420 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OCC)CCO1 ZINC000825253521 609512111 /nfs/dbraw/zinc/51/21/11/609512111.db2.gz NOUYZYPHWUXWIL-AAEUAGOBSA-N -1 3 394.859 3.420 20 0 GGADHM Cc1cc(C(=O)N(C)C2CCC(C)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257018 609512588 /nfs/dbraw/zinc/51/25/88/609512588.db2.gz KFNBQGRQZUVQRL-UHFFFAOYSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N(C)C2CCC(C)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257018 609512589 /nfs/dbraw/zinc/51/25/89/609512589.db2.gz KFNBQGRQZUVQRL-UHFFFAOYSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256944 609512633 /nfs/dbraw/zinc/51/26/33/609512633.db2.gz HJNKBQVAMULQKN-OAHLLOKOSA-N -1 3 387.447 3.194 20 0 GGADHM Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256944 609512635 /nfs/dbraw/zinc/51/26/35/609512635.db2.gz HJNKBQVAMULQKN-OAHLLOKOSA-N -1 3 387.447 3.194 20 0 GGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427677 609516271 /nfs/dbraw/zinc/51/62/71/609516271.db2.gz WWWGGIGZQRVKSN-ZDUSSCGKSA-N -1 3 383.280 3.178 20 0 GGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427677 609516273 /nfs/dbraw/zinc/51/62/73/609516273.db2.gz WWWGGIGZQRVKSN-ZDUSSCGKSA-N -1 3 383.280 3.178 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826427132 609516661 /nfs/dbraw/zinc/51/66/61/609516661.db2.gz GYAVRHYVDMUBIA-CYBMUJFWSA-N -1 3 383.280 3.178 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826427132 609516662 /nfs/dbraw/zinc/51/66/62/609516662.db2.gz GYAVRHYVDMUBIA-CYBMUJFWSA-N -1 3 383.280 3.178 20 0 GGADHM Cc1c(Cl)cnc(N2CCN(C/C=C/c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826237646 609518218 /nfs/dbraw/zinc/51/82/18/609518218.db2.gz HGKUAEJLPLHMIU-VMPITWQZSA-N -1 3 395.898 3.059 20 0 GGADHM O=c1c2ccsc2ccn1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826501246 609520508 /nfs/dbraw/zinc/52/05/08/609520508.db2.gz GXLJZQSBLLJYFX-UHFFFAOYSA-N -1 3 388.250 3.054 20 0 GGADHM O=c1c2ccsc2ccn1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826501246 609520509 /nfs/dbraw/zinc/52/05/09/609520509.db2.gz GXLJZQSBLLJYFX-UHFFFAOYSA-N -1 3 388.250 3.054 20 0 GGADHM Cc1cc(C(=O)N(CC(C)C)C2CCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257917 609524315 /nfs/dbraw/zinc/52/43/15/609524315.db2.gz SQMZCBJNWLEPRI-UHFFFAOYSA-N -1 3 393.495 3.402 20 0 GGADHM Cc1cc(C(=O)N(CC(C)C)C2CCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257917 609524317 /nfs/dbraw/zinc/52/43/17/609524317.db2.gz SQMZCBJNWLEPRI-UHFFFAOYSA-N -1 3 393.495 3.402 20 0 GGADHM Cc1c(Cl)cnc(N2CCC(C(=O)Nc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826237440 609524421 /nfs/dbraw/zinc/52/44/21/609524421.db2.gz ZRYQNLCSVKHYGR-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM Cc1c(Cl)cnc(N2CCC(C(=O)Nc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826237440 609524423 /nfs/dbraw/zinc/52/44/23/609524423.db2.gz ZRYQNLCSVKHYGR-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM Cc1c(Cl)cnc(N2CCC(OCc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826238008 609526396 /nfs/dbraw/zinc/52/63/96/609526396.db2.gz SYAGTVWROQXYNZ-UHFFFAOYSA-N -1 3 384.871 3.409 20 0 GGADHM Cc1c(Cl)cnc(N2CCC(OCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826238008 609526399 /nfs/dbraw/zinc/52/63/99/609526399.db2.gz SYAGTVWROQXYNZ-UHFFFAOYSA-N -1 3 384.871 3.409 20 0 GGADHM Cc1cc(C(=O)Oc2cccc3ncccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261443 609528441 /nfs/dbraw/zinc/52/84/41/609528441.db2.gz FQVAFDONLLGUBB-UHFFFAOYSA-N -1 3 397.398 3.128 20 0 GGADHM Cc1cc(C(=O)Oc2cccc3ncccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261443 609528442 /nfs/dbraw/zinc/52/84/42/609528442.db2.gz FQVAFDONLLGUBB-UHFFFAOYSA-N -1 3 397.398 3.128 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccc(C(=O)N3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826240332 609528662 /nfs/dbraw/zinc/52/86/62/609528662.db2.gz NOXJMWJLOJFTLB-UHFFFAOYSA-N -1 3 397.870 3.072 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccc(C(=O)N3CCCC3)cc2)c1-c1nn[n-]n1 ZINC000826240332 609528664 /nfs/dbraw/zinc/52/86/64/609528664.db2.gz NOXJMWJLOJFTLB-UHFFFAOYSA-N -1 3 397.870 3.072 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)CCO1 ZINC000825184479 609530007 /nfs/dbraw/zinc/53/00/07/609530007.db2.gz VEQSDJBLKUETJX-NVXWUHKLSA-N -1 3 394.479 3.418 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)CCO1 ZINC000825184479 609530008 /nfs/dbraw/zinc/53/00/08/609530008.db2.gz VEQSDJBLKUETJX-NVXWUHKLSA-N -1 3 394.479 3.418 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260184 609530755 /nfs/dbraw/zinc/53/07/55/609530755.db2.gz AAPSPHSBTNFVIR-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260184 609530756 /nfs/dbraw/zinc/53/07/56/609530756.db2.gz AAPSPHSBTNFVIR-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1c(Cl)cnc(NCCNc2ccc(C(F)(F)F)cn2)c1-c1nnn[n-]1 ZINC000826240220 609530890 /nfs/dbraw/zinc/53/08/90/609530890.db2.gz JBCTYZPYPFZGLX-UHFFFAOYSA-N -1 3 398.780 3.161 20 0 GGADHM Cc1c(Cl)cnc(NCCNc2ccc(C(F)(F)F)cn2)c1-c1nn[n-]n1 ZINC000826240220 609530894 /nfs/dbraw/zinc/53/08/94/609530894.db2.gz JBCTYZPYPFZGLX-UHFFFAOYSA-N -1 3 398.780 3.161 20 0 GGADHM Cc1c(Cl)cnc(NCc2cccc(Cn3ccnc3)c2)c1-c1nnn[n-]1 ZINC000826240348 609531211 /nfs/dbraw/zinc/53/12/11/609531211.db2.gz OGHZMJGHCQTYNF-UHFFFAOYSA-N -1 3 380.843 3.080 20 0 GGADHM Cc1c(Cl)cnc(NCc2cccc(Cn3ccnc3)c2)c1-c1nn[n-]n1 ZINC000826240348 609531213 /nfs/dbraw/zinc/53/12/13/609531213.db2.gz OGHZMJGHCQTYNF-UHFFFAOYSA-N -1 3 380.843 3.080 20 0 GGADHM C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824967843 609536323 /nfs/dbraw/zinc/53/63/23/609536323.db2.gz NKMOPLLEKDQBHL-NSHDSACASA-N -1 3 389.868 3.050 20 0 GGADHM C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824967843 609536324 /nfs/dbraw/zinc/53/63/24/609536324.db2.gz NKMOPLLEKDQBHL-NSHDSACASA-N -1 3 389.868 3.050 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826239314 609541574 /nfs/dbraw/zinc/54/15/74/609541574.db2.gz CUARSTJXFFLFTH-LBPRGKRZSA-N -1 3 398.776 3.388 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826239314 609541577 /nfs/dbraw/zinc/54/15/77/609541577.db2.gz CUARSTJXFFLFTH-LBPRGKRZSA-N -1 3 398.776 3.388 20 0 GGADHM CCN([C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825396025 609542610 /nfs/dbraw/zinc/54/26/10/609542610.db2.gz ZTQYQIYCWVDBRR-BXUZGUMPSA-N -1 3 383.905 3.109 20 0 GGADHM CCN([C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825396025 609542612 /nfs/dbraw/zinc/54/26/12/609542612.db2.gz ZTQYQIYCWVDBRR-BXUZGUMPSA-N -1 3 383.905 3.109 20 0 GGADHM Cc1c(Cl)cnc(N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c1-c1nnn[n-]1 ZINC000826240008 609544526 /nfs/dbraw/zinc/54/45/26/609544526.db2.gz XSYLNSYYAWKKBG-LLVKDONJSA-N -1 3 386.891 3.144 20 0 GGADHM Cc1c(Cl)cnc(N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c1-c1nn[n-]n1 ZINC000826240008 609544527 /nfs/dbraw/zinc/54/45/27/609544527.db2.gz XSYLNSYYAWKKBG-LLVKDONJSA-N -1 3 386.891 3.144 20 0 GGADHM CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824296747 609545185 /nfs/dbraw/zinc/54/51/85/609545185.db2.gz KSZTZLMHLUCCGV-UHFFFAOYSA-N -1 3 395.847 3.263 20 0 GGADHM CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824296747 609545187 /nfs/dbraw/zinc/54/51/87/609545187.db2.gz KSZTZLMHLUCCGV-UHFFFAOYSA-N -1 3 395.847 3.263 20 0 GGADHM COc1ccc(C(=O)CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(Cl)c1 ZINC000826187327 609545857 /nfs/dbraw/zinc/54/58/57/609545857.db2.gz LIBJOVKLHVGQMI-UHFFFAOYSA-N -1 3 399.838 3.439 20 0 GGADHM COc1ccc(C(=O)CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(Cl)c1 ZINC000826187327 609545859 /nfs/dbraw/zinc/54/58/59/609545859.db2.gz LIBJOVKLHVGQMI-UHFFFAOYSA-N -1 3 399.838 3.439 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000826237820 609547102 /nfs/dbraw/zinc/54/71/02/609547102.db2.gz MOLXIERIQKOCGS-AWEZNQCLSA-N -1 3 398.854 3.336 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000826237820 609547105 /nfs/dbraw/zinc/54/71/05/609547105.db2.gz MOLXIERIQKOCGS-AWEZNQCLSA-N -1 3 398.854 3.336 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCCC[C@H]1c1ccco1 ZINC000826495000 609548679 /nfs/dbraw/zinc/54/86/79/609548679.db2.gz YMDKABMJZGZQGO-ZDUSSCGKSA-N -1 3 393.856 3.029 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCCC[C@H]1c1ccco1 ZINC000826495000 609548681 /nfs/dbraw/zinc/54/86/81/609548681.db2.gz YMDKABMJZGZQGO-ZDUSSCGKSA-N -1 3 393.856 3.029 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCc3ccc(C)cc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826294617 609556378 /nfs/dbraw/zinc/55/63/78/609556378.db2.gz XGFFKXXQPXECOT-IBGZPJMESA-N -1 3 399.458 3.087 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCc3ccc(C)cc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826294617 609556380 /nfs/dbraw/zinc/55/63/80/609556380.db2.gz XGFFKXXQPXECOT-IBGZPJMESA-N -1 3 399.458 3.087 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825233169 609557894 /nfs/dbraw/zinc/55/78/94/609557894.db2.gz NUJVTZOYWXTBKP-SMDDNHRTSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825233169 609557895 /nfs/dbraw/zinc/55/78/95/609557895.db2.gz NUJVTZOYWXTBKP-SMDDNHRTSA-N -1 3 383.905 3.109 20 0 GGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826237174 609559309 /nfs/dbraw/zinc/55/93/09/609559309.db2.gz QTTDGTATGXXMOL-MEBBXXQBSA-N -1 3 388.834 3.329 20 0 GGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826237174 609559311 /nfs/dbraw/zinc/55/93/11/609559311.db2.gz QTTDGTATGXXMOL-MEBBXXQBSA-N -1 3 388.834 3.329 20 0 GGADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000825149432 609563193 /nfs/dbraw/zinc/56/31/93/609563193.db2.gz YIWYKEFDILANNL-IUODEOHRSA-N -1 3 394.813 3.426 20 0 GGADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000825149432 609563194 /nfs/dbraw/zinc/56/31/94/609563194.db2.gz YIWYKEFDILANNL-IUODEOHRSA-N -1 3 394.813 3.426 20 0 GGADHM Cc1nc2c(s1)[C@H](Nc1c(-c3nnn[n-]3)cnc3c(F)ccc(F)c31)CCC2 ZINC000826328299 609565281 /nfs/dbraw/zinc/56/52/81/609565281.db2.gz MNRIFHAPECBSFU-CYBMUJFWSA-N -1 3 399.430 3.369 20 0 GGADHM Cc1nc2c(s1)[C@H](Nc1c(-c3nn[n-]n3)cnc3c(F)ccc(F)c31)CCC2 ZINC000826328299 609565283 /nfs/dbraw/zinc/56/52/83/609565283.db2.gz MNRIFHAPECBSFU-CYBMUJFWSA-N -1 3 399.430 3.369 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259019 609576852 /nfs/dbraw/zinc/57/68/52/609576852.db2.gz DXZFMLOYZRURBP-RBZFPXEDSA-N -1 3 399.458 3.024 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259019 609576853 /nfs/dbraw/zinc/57/68/53/609576853.db2.gz DXZFMLOYZRURBP-RBZFPXEDSA-N -1 3 399.458 3.024 20 0 GGADHM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260439 609577351 /nfs/dbraw/zinc/57/73/51/609577351.db2.gz OAAGLBQLXUQEKP-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260439 609577354 /nfs/dbraw/zinc/57/73/54/609577354.db2.gz OAAGLBQLXUQEKP-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM C[C@H]1C[C@H](C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H](C)C1 ZINC000824875261 609582113 /nfs/dbraw/zinc/58/21/13/609582113.db2.gz KFYIEDHPRBAIGU-DKDUDKENSA-N -1 3 398.511 3.140 20 0 GGADHM C[C@H]1C[C@H](C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)C[C@@H](C)C1 ZINC000824875261 609582115 /nfs/dbraw/zinc/58/21/15/609582115.db2.gz KFYIEDHPRBAIGU-DKDUDKENSA-N -1 3 398.511 3.140 20 0 GGADHM Cc1c(Cl)cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826238965 609582719 /nfs/dbraw/zinc/58/27/19/609582719.db2.gz UMSSNZBOFUXWJX-NSHDSACASA-N -1 3 393.879 3.035 20 0 GGADHM Cc1c(Cl)cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826238965 609582721 /nfs/dbraw/zinc/58/27/21/609582721.db2.gz UMSSNZBOFUXWJX-NSHDSACASA-N -1 3 393.879 3.035 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825252426 609589066 /nfs/dbraw/zinc/58/90/66/609589066.db2.gz HOXRGFSYHMOZBP-JQWIXIFHSA-N -1 3 383.374 3.419 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825252426 609589070 /nfs/dbraw/zinc/58/90/70/609589070.db2.gz HOXRGFSYHMOZBP-JQWIXIFHSA-N -1 3 383.374 3.419 20 0 GGADHM COC1(CNC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000826143544 609591249 /nfs/dbraw/zinc/59/12/49/609591249.db2.gz FHGJEYFYDRKQAA-UHFFFAOYSA-N -1 3 395.488 3.317 20 0 GGADHM COC1(CNC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000826143544 609591252 /nfs/dbraw/zinc/59/12/52/609591252.db2.gz FHGJEYFYDRKQAA-UHFFFAOYSA-N -1 3 395.488 3.317 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@@H]2CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257640 609593571 /nfs/dbraw/zinc/59/35/71/609593571.db2.gz KDNABDJVSZEELF-QGZVFWFLSA-N -1 3 393.495 3.402 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@@H]2CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257640 609593573 /nfs/dbraw/zinc/59/35/73/609593573.db2.gz KDNABDJVSZEELF-QGZVFWFLSA-N -1 3 393.495 3.402 20 0 GGADHM CCc1cnc(COC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)s1 ZINC000825735659 609597513 /nfs/dbraw/zinc/59/75/13/609597513.db2.gz SFBBGBIQTSOJBG-INIZCTEOSA-N -1 3 387.465 3.032 20 0 GGADHM CCc1cnc(COC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)s1 ZINC000825735659 609597514 /nfs/dbraw/zinc/59/75/14/609597514.db2.gz SFBBGBIQTSOJBG-INIZCTEOSA-N -1 3 387.465 3.032 20 0 GGADHM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cnc1N1CCCC[C@@H]1C ZINC000826269995 609598076 /nfs/dbraw/zinc/59/80/76/609598076.db2.gz GPMIUBXCKIEKBU-HNNXBMFYSA-N -1 3 391.479 3.130 20 0 GGADHM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cnc1N1CCCC[C@@H]1C ZINC000826269995 609598077 /nfs/dbraw/zinc/59/80/77/609598077.db2.gz GPMIUBXCKIEKBU-HNNXBMFYSA-N -1 3 391.479 3.130 20 0 GGADHM CC[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)c2cccc(Cl)c2O1 ZINC000825201591 609602749 /nfs/dbraw/zinc/60/27/49/609602749.db2.gz HCUSGCISYGJJIU-SECBINFHSA-N -1 3 375.841 3.399 20 0 GGADHM CC[C@@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)c2cccc(Cl)c2O1 ZINC000825201591 609602750 /nfs/dbraw/zinc/60/27/50/609602750.db2.gz HCUSGCISYGJJIU-SECBINFHSA-N -1 3 375.841 3.399 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nnn[n-]3)c1)[C@H](C)C2 ZINC000826293808 609606627 /nfs/dbraw/zinc/60/66/27/609606627.db2.gz BXUXRLWHVUHPSB-BIENJYKASA-N -1 3 376.464 3.469 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nn[n-]n3)c1)[C@H](C)C2 ZINC000826293808 609606628 /nfs/dbraw/zinc/60/66/28/609606628.db2.gz BXUXRLWHVUHPSB-BIENJYKASA-N -1 3 376.464 3.469 20 0 GGADHM Cc1ccc([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826286142 609609225 /nfs/dbraw/zinc/60/92/25/609609225.db2.gz SUZGHWSRISSHNM-DNVCBOLYSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1ccc([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826286142 609609226 /nfs/dbraw/zinc/60/92/26/609609226.db2.gz SUZGHWSRISSHNM-DNVCBOLYSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1cccc([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826297589 609609424 /nfs/dbraw/zinc/60/94/24/609609424.db2.gz MDIOSQBLQNXJPZ-DNVCBOLYSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1cccc([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826297589 609609425 /nfs/dbraw/zinc/60/94/25/609609425.db2.gz MDIOSQBLQNXJPZ-DNVCBOLYSA-N -1 3 376.464 3.435 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cncn1-c1ccc(F)cc1 ZINC000826465613 609613683 /nfs/dbraw/zinc/61/36/83/609613683.db2.gz UTERGUHIVHHBEN-UHFFFAOYSA-N -1 3 398.785 3.202 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cncn1-c1ccc(F)cc1 ZINC000826465613 609613684 /nfs/dbraw/zinc/61/36/84/609613684.db2.gz UTERGUHIVHHBEN-UHFFFAOYSA-N -1 3 398.785 3.202 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc([C@@H]2CCOC2)c1 ZINC000826465166 609615252 /nfs/dbraw/zinc/61/52/52/609615252.db2.gz AZWRIHUWVLRZHL-CQSZACIVSA-N -1 3 384.823 3.381 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc([C@@H]2CCOC2)c1 ZINC000826465166 609615253 /nfs/dbraw/zinc/61/52/53/609615253.db2.gz AZWRIHUWVLRZHL-CQSZACIVSA-N -1 3 384.823 3.381 20 0 GGADHM CC[C@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c(C)noc1C ZINC000825040239 609617273 /nfs/dbraw/zinc/61/72/73/609617273.db2.gz ZVYVLGIONAHWLF-ZDUSSCGKSA-N -1 3 375.816 3.362 20 0 GGADHM CC[C@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)c1c(C)noc1C ZINC000825040239 609617274 /nfs/dbraw/zinc/61/72/74/609617274.db2.gz ZVYVLGIONAHWLF-ZDUSSCGKSA-N -1 3 375.816 3.362 20 0 GGADHM Cc1noc(C(F)(F)F)c1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826337856 609617764 /nfs/dbraw/zinc/61/77/64/609617764.db2.gz CKAHTEQQQJBYQP-UHFFFAOYSA-N -1 3 387.705 3.192 20 0 GGADHM Cc1noc(C(F)(F)F)c1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826337856 609617766 /nfs/dbraw/zinc/61/77/66/609617766.db2.gz CKAHTEQQQJBYQP-UHFFFAOYSA-N -1 3 387.705 3.192 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cn2cccn2)cc1 ZINC000826465687 609618091 /nfs/dbraw/zinc/61/80/91/609618091.db2.gz XMHNYAGPWWJZLK-UHFFFAOYSA-N -1 3 394.822 3.122 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cn2cccn2)cc1 ZINC000826465687 609618092 /nfs/dbraw/zinc/61/80/92/609618092.db2.gz XMHNYAGPWWJZLK-UHFFFAOYSA-N -1 3 394.822 3.122 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)nc1 ZINC000826465253 609618999 /nfs/dbraw/zinc/61/89/99/609618999.db2.gz FRVSLGPNSUTWGM-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)nc1 ZINC000826465253 609619001 /nfs/dbraw/zinc/61/90/01/609619001.db2.gz FRVSLGPNSUTWGM-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM Cc1nn(C)c2sc(C(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)cc12 ZINC000826334406 609619070 /nfs/dbraw/zinc/61/90/70/609619070.db2.gz UCKADWMCGMHQPN-UHFFFAOYSA-N -1 3 388.840 3.134 20 0 GGADHM Cc1nn(C)c2sc(C(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)cc12 ZINC000826334406 609619072 /nfs/dbraw/zinc/61/90/72/609619072.db2.gz UCKADWMCGMHQPN-UHFFFAOYSA-N -1 3 388.840 3.134 20 0 GGADHM CN(C)[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000825849670 609622696 /nfs/dbraw/zinc/62/26/96/609622696.db2.gz LNTLWJUAZANBPS-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000825849670 609622698 /nfs/dbraw/zinc/62/26/98/609622698.db2.gz LNTLWJUAZANBPS-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000825848244 609622918 /nfs/dbraw/zinc/62/29/18/609622918.db2.gz ARGBWUWGLUCANK-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000825848244 609622919 /nfs/dbraw/zinc/62/29/19/609622919.db2.gz ARGBWUWGLUCANK-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1csc(Cc2cccc(F)c2)n1 ZINC000826464646 609625877 /nfs/dbraw/zinc/62/58/77/609625877.db2.gz GRXOFGPMGNWGAX-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2cccc(F)c2)n1 ZINC000826464646 609625878 /nfs/dbraw/zinc/62/58/78/609625878.db2.gz GRXOFGPMGNWGAX-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM C[C@H]1CCc2c(sc3nc(CCC(=O)[N-]OCc4ccccc4)[nH]c(=O)c23)C1 ZINC000052952975 1406239395 /nfs/dbraw/zinc/23/93/95/1406239395.db2.gz LNHSCRZKDYVKBH-ZDUSSCGKSA-N -1 3 397.500 3.290 20 0 GGADHM CCCCCCNC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000053019478 1406262069 /nfs/dbraw/zinc/26/20/69/1406262069.db2.gz ORGIWRGEZLGWPC-UHFFFAOYSA-N -1 3 395.931 3.393 20 0 GGADHM CCc1noc([C@@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000053020508 1406263052 /nfs/dbraw/zinc/26/30/52/1406263052.db2.gz SRCJHIGQIGNULI-LLVKDONJSA-N -1 3 378.860 3.403 20 0 GGADHM CC(C)Cc1noc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000053020243 1406263551 /nfs/dbraw/zinc/26/35/51/1406263551.db2.gz QIMIWBLMOXULJJ-UHFFFAOYSA-N -1 3 392.887 3.478 20 0 GGADHM CCOc1ccc([C@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1OCC ZINC000053194625 1406323310 /nfs/dbraw/zinc/32/33/10/1406323310.db2.gz CRSWFLCUKFRHHW-RAOBZKRQSA-N -1 3 380.444 3.446 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4c(c3)CCC(=O)N4)nc(=O)c2c1C ZINC000053230858 1406335079 /nfs/dbraw/zinc/33/50/79/1406335079.db2.gz PPAHEZZGWDLKAH-JTQLQIEISA-N -1 3 397.456 3.404 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000053307992 1406360631 /nfs/dbraw/zinc/36/06/31/1406360631.db2.gz JNOQXZKPKBCNGZ-UHFFFAOYSA-N -1 3 397.456 3.284 20 0 GGADHM CCCCc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053528448 1406427871 /nfs/dbraw/zinc/42/78/71/1406427871.db2.gz LQDOZARDGVMAJQ-UHFFFAOYSA-N -1 3 377.448 3.233 20 0 GGADHM O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1sccc1-c1ccccc1 ZINC000053625510 1406462365 /nfs/dbraw/zinc/46/23/65/1406462365.db2.gz JJJYXJVAIGWLDP-UHFFFAOYSA-N -1 3 380.425 3.261 20 0 GGADHM O=C(NCCNC(=O)c1ccccc1Nc1ccccc1)c1ccc([O-])cc1 ZINC000053741472 1406497960 /nfs/dbraw/zinc/49/79/60/1406497960.db2.gz DXEPNUFHWQAQLD-UHFFFAOYSA-N -1 3 375.428 3.296 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742601 1406498090 /nfs/dbraw/zinc/49/80/90/1406498090.db2.gz LOBSQOAUUKFNMW-NSHDSACASA-N -1 3 397.258 3.013 20 0 GGADHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000053776149 1406509443 /nfs/dbraw/zinc/50/94/43/1406509443.db2.gz IUHJGKLGUUZUIA-UHFFFAOYSA-N -1 3 393.465 3.255 20 0 GGADHM COC(=O)c1cc(-c2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)c[nH]1 ZINC000053795912 1406514683 /nfs/dbraw/zinc/51/46/83/1406514683.db2.gz UNFOMCCVZPHYSR-UHFFFAOYSA-N -1 3 394.412 3.019 20 0 GGADHM COc1cccc(C(=O)N[N-]C(=O)c2cccnc2Sc2ccccc2)c1O ZINC000054144494 1406631568 /nfs/dbraw/zinc/63/15/68/1406631568.db2.gz KOBMMNOKEPRQAY-UHFFFAOYSA-N -1 3 395.440 3.022 20 0 GGADHM CCc1cc2c(CN3CCNC(=O)C[C@@H]3c3ccccc3)cc(=O)oc2cc1[O-] ZINC000054395617 1406720135 /nfs/dbraw/zinc/72/01/35/1406720135.db2.gz FYFXXCLVWWAKNO-LJQANCHMSA-N -1 3 392.455 3.124 20 0 GGADHM Cc1c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cnn1C ZINC000054687645 1406807543 /nfs/dbraw/zinc/80/75/43/1406807543.db2.gz NXNHRXMZBBTGHC-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NOCC)c(Cl)cc1Cl ZINC000054721501 1406812930 /nfs/dbraw/zinc/81/29/30/1406812930.db2.gz ZLSIEIBYBFJGAI-SECBINFHSA-N -1 3 383.297 3.142 20 0 GGADHM C[C@@H]1CN(c2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2F)C[C@H](C)O1 ZINC000055007733 1406868891 /nfs/dbraw/zinc/86/88/91/1406868891.db2.gz RUXOCPFPYLDMHQ-UVMABXGOSA-N -1 3 395.434 3.162 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000055127817 1406890788 /nfs/dbraw/zinc/89/07/88/1406890788.db2.gz RZKCWNRRROANQV-UHFFFAOYSA-N -1 3 395.503 3.432 20 0 GGADHM CN(Cc1ccc2ccccc2c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055128006 1406891775 /nfs/dbraw/zinc/89/17/75/1406891775.db2.gz BQBOXNBAFMXHSY-UHFFFAOYSA-N -1 3 384.457 3.189 20 0 GGADHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000055171755 1406897454 /nfs/dbraw/zinc/89/74/54/1406897454.db2.gz MSWWNLPGIUWRQX-INIZCTEOSA-N -1 3 399.520 3.318 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000055221402 1406906411 /nfs/dbraw/zinc/90/64/11/1406906411.db2.gz NJVKOUKSGDWNNZ-UHFFFAOYSA-N -1 3 381.432 3.019 20 0 GGADHM COC(=O)c1ccoc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000055290989 1406922281 /nfs/dbraw/zinc/92/22/81/1406922281.db2.gz YBOQFPSYTGVCMP-UHFFFAOYSA-N -1 3 382.401 3.193 20 0 GGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055280543 1406919031 /nfs/dbraw/zinc/91/90/31/1406919031.db2.gz LDAXPLAQNSEIQT-OAHLLOKOSA-N -1 3 392.477 3.109 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 ZINC000055314129 1406927271 /nfs/dbraw/zinc/92/72/71/1406927271.db2.gz YUYAXSNFLCMUFO-UHFFFAOYSA-N -1 3 391.427 3.255 20 0 GGADHM CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([O-])cc2)sc(C)c1CC ZINC000003507770 1398359981 /nfs/dbraw/zinc/35/99/81/1398359981.db2.gz MCPFWMJVXAXCQL-UHFFFAOYSA-N -1 3 391.445 3.297 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cccc(Cl)c2)c1 ZINC000003555028 1398368342 /nfs/dbraw/zinc/36/83/42/1398368342.db2.gz HVSQPYXLRZYHCW-UHFFFAOYSA-N -1 3 383.629 3.186 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2N1 ZINC000004597167 1398401779 /nfs/dbraw/zinc/40/17/79/1398401779.db2.gz RRORPFYGZBANJI-UHFFFAOYSA-N -1 3 386.351 3.271 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4c(c3)OCCO4)nc(=O)c2c1C ZINC000004829451 1398404726 /nfs/dbraw/zinc/40/47/26/1398404726.db2.gz PFIPGYOVGVJSSJ-JTQLQIEISA-N -1 3 386.429 3.291 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1C ZINC000005099532 1398414136 /nfs/dbraw/zinc/41/41/36/1398414136.db2.gz XOJLYCVOIKMECH-UHFFFAOYSA-N -1 3 388.489 3.412 20 0 GGADHM Cc1cccc(C)c1OCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000055399766 1406949587 /nfs/dbraw/zinc/94/95/87/1406949587.db2.gz VNNRKTDHHRAARJ-IBGZPJMESA-N -1 3 396.487 3.199 20 0 GGADHM O=c1[n-]nc(SCc2cn3cc(Cl)ccc3n2)n1CCc1ccccc1 ZINC000005982861 1398498273 /nfs/dbraw/zinc/49/82/73/1398498273.db2.gz XLRNVVLOZCDGOK-UHFFFAOYSA-N -1 3 385.880 3.408 20 0 GGADHM CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000006354866 1398545222 /nfs/dbraw/zinc/54/52/22/1398545222.db2.gz QEWXMDWYGWKUCC-UHFFFAOYSA-N -1 3 378.812 3.225 20 0 GGADHM Cc1cc(OCCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)ccc1Cl ZINC000007044289 1398589253 /nfs/dbraw/zinc/58/92/53/1398589253.db2.gz GXFPUXYNYDCDHR-UHFFFAOYSA-N -1 3 395.864 3.369 20 0 GGADHM O=C(COC(=O)c1csc(-c2cccs2)n1)[N-]C(=O)c1cccs1 ZINC000007074347 1398593942 /nfs/dbraw/zinc/59/39/42/1398593942.db2.gz IGUYRIOLSVJPFU-UHFFFAOYSA-N -1 3 378.456 3.047 20 0 GGADHM O=C(COC(=O)c1ccc(C2SCCS2)cc1)[N-]C(=O)c1cccs1 ZINC000007090175 1398595937 /nfs/dbraw/zinc/59/59/37/1398595937.db2.gz IZOYNRQLQDYSHM-UHFFFAOYSA-N -1 3 393.511 3.340 20 0 GGADHM O=C(COC(=O)c1ccc([O-])cc1)c1ccc(I)cc1 ZINC000007164956 1398614926 /nfs/dbraw/zinc/61/49/26/1398614926.db2.gz UWTCXUXRVSKMSU-UHFFFAOYSA-N -1 3 382.153 3.037 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccn3)s2)nnn1-c1ccc(C)cc1 ZINC000055446890 1406965077 /nfs/dbraw/zinc/96/50/77/1406965077.db2.gz PNCYFCWBJFTPKU-UHFFFAOYSA-N -1 3 377.433 3.050 20 0 GGADHM CC(C)[C@H](NC(=O)COC(=O)c1ccc([O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000007099550 1398597873 /nfs/dbraw/zinc/59/78/73/1398597873.db2.gz CXEACUXFPJVERX-NRFANRHFSA-N -1 3 399.443 3.224 20 0 GGADHM Cc1ccc(SCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1C ZINC000007145341 1398610290 /nfs/dbraw/zinc/61/02/90/1398610290.db2.gz RFJXKXKABSXDAF-UHFFFAOYSA-N -1 3 377.487 3.347 20 0 GGADHM CCCCC[C@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000007154264 1398613132 /nfs/dbraw/zinc/61/31/32/1398613132.db2.gz MZCVCRCQFOFBCG-AWEZNQCLSA-N -1 3 399.520 3.286 20 0 GGADHM O=C(COC(=O)CCSc1ccc(Cl)cc1)[N-]C(=O)c1cccs1 ZINC000007160385 1398613816 /nfs/dbraw/zinc/61/38/16/1398613816.db2.gz UOSSBCNHTZOYBY-UHFFFAOYSA-N -1 3 383.878 3.384 20 0 GGADHM O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000007164459 1398614852 /nfs/dbraw/zinc/61/48/52/1398614852.db2.gz CWSGJJZVHVPMBO-UHFFFAOYSA-N -1 3 393.420 3.093 20 0 GGADHM O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1c[n-]c2ccccc2c1=O ZINC000055454931 1406967177 /nfs/dbraw/zinc/96/71/77/1406967177.db2.gz QOPUWNKQURQLNI-UHFFFAOYSA-N -1 3 380.419 3.145 20 0 GGADHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)ccc21 ZINC000007323563 1398654107 /nfs/dbraw/zinc/65/41/07/1398654107.db2.gz DKVRABABQYXYSN-UHFFFAOYSA-N -1 3 396.415 3.388 20 0 GGADHM O=c1[n-]nc(SCc2nc(-c3ccccc3)no2)n1CCc1ccccc1 ZINC000007347538 1398657404 /nfs/dbraw/zinc/65/74/04/1398657404.db2.gz PTYKQUNKHCTXPB-UHFFFAOYSA-N -1 3 379.445 3.156 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3ccc(F)cc3F)nc(=O)c2c1C ZINC000007488174 1398688787 /nfs/dbraw/zinc/68/87/87/1398688787.db2.gz BJVUGNVJIJOWNA-VIFPVBQESA-N -1 3 393.415 3.209 20 0 GGADHM CCNC(=S)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000007505496 1398692619 /nfs/dbraw/zinc/69/26/19/1398692619.db2.gz KYIKBDPPZPXUQZ-UHFFFAOYSA-N -1 3 379.507 3.111 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COC2(CCCCC2)O1)c1cc(Cl)ccc1Cl ZINC000007595538 1398711081 /nfs/dbraw/zinc/71/10/81/1398711081.db2.gz IKYQPWAMYLSVJI-GFCCVEGCSA-N -1 3 380.293 3.348 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3COc4ccccc4O3)nc(=O)c2c1C ZINC000008012307 1398791724 /nfs/dbraw/zinc/79/17/24/1398791724.db2.gz MVXFPUBMTABVMC-YGRLFVJLSA-N -1 3 386.429 3.046 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008059948 1398798189 /nfs/dbraw/zinc/79/81/89/1398798189.db2.gz XGCBFNPJFRUPQH-UHFFFAOYSA-N -1 3 377.416 3.246 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000008059930 1398798398 /nfs/dbraw/zinc/79/83/98/1398798398.db2.gz QBQGGIJAVCVSFR-UHFFFAOYSA-N -1 3 395.406 3.385 20 0 GGADHM Cc1ccc(-n2nnnc2SCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000008282621 1398820056 /nfs/dbraw/zinc/82/00/56/1398820056.db2.gz XXRHLTSBXAOVIJ-UHFFFAOYSA-N -1 3 380.429 3.383 20 0 GGADHM C=CCNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000008316711 1398822677 /nfs/dbraw/zinc/82/26/77/1398822677.db2.gz CJZASOSRTZWUGN-SNVBAGLBSA-N -1 3 379.309 3.376 20 0 GGADHM CCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)NC)cc2)cc(Cl)c1[O-] ZINC000008322380 1398823224 /nfs/dbraw/zinc/82/32/24/1398823224.db2.gz UGFSUDCMYBZMAE-RUDMXATFSA-N -1 3 395.864 3.249 20 0 GGADHM O=c1[n-]nc(SCc2cc3ccccc3nc2Cl)n1C[C@H]1CCCO1 ZINC000008402815 1398828496 /nfs/dbraw/zinc/82/84/96/1398828496.db2.gz GOYWYOHFAZYYOI-CYBMUJFWSA-N -1 3 376.869 3.244 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)cc1 ZINC000009946649 1398871636 /nfs/dbraw/zinc/87/16/36/1398871636.db2.gz XXFVYXSCWQGNLY-UHFFFAOYSA-N -1 3 395.484 3.366 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 ZINC000009946649 1398871637 /nfs/dbraw/zinc/87/16/37/1398871637.db2.gz XXFVYXSCWQGNLY-UHFFFAOYSA-N -1 3 395.484 3.366 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)COc3ccc(F)cc3)nc(=O)c2c1C ZINC000010150508 1398877959 /nfs/dbraw/zinc/87/79/59/1398877959.db2.gz ASDGBDRKZIWRAX-JTQLQIEISA-N -1 3 376.409 3.424 20 0 GGADHM Nc1nc(COC(=O)c2cc(Cl)c(Cl)[n-]2)nc(Nc2ccccc2)n1 ZINC000011034191 1398945588 /nfs/dbraw/zinc/94/55/88/1398945588.db2.gz MEMNWYMTXJATGU-UHFFFAOYSA-N -1 3 379.207 3.189 20 0 GGADHM CCc1nnc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)o1 ZINC000055544695 1406995983 /nfs/dbraw/zinc/99/59/83/1406995983.db2.gz BZBHNKAHGDDYMN-UHFFFAOYSA-N -1 3 388.840 3.412 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1C ZINC000055547038 1406996541 /nfs/dbraw/zinc/99/65/41/1406996541.db2.gz DERFPHZZAYDNAI-UHFFFAOYSA-N -1 3 396.534 3.401 20 0 GGADHM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1C ZINC000011809863 1399012803 /nfs/dbraw/zinc/01/28/03/1399012803.db2.gz KSTUOVMSLOINRW-QMMMGPOBSA-N -1 3 387.219 3.481 20 0 GGADHM CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011810230 1399012836 /nfs/dbraw/zinc/01/28/36/1399012836.db2.gz NCLLVAJCYAISPW-UHFFFAOYSA-N -1 3 383.231 3.040 20 0 GGADHM CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1C ZINC000011809115 1399013221 /nfs/dbraw/zinc/01/32/21/1399013221.db2.gz WCVNEDMUGHZDAV-UHFFFAOYSA-N -1 3 387.219 3.483 20 0 GGADHM O=C([N-]NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1Cl ZINC000012029820 1399024353 /nfs/dbraw/zinc/02/43/53/1399024353.db2.gz ZLOSFUULOQDIPV-UHFFFAOYSA-N -1 3 380.831 3.037 20 0 GGADHM CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000012990598 1399071055 /nfs/dbraw/zinc/07/10/55/1399071055.db2.gz MROXFTRSKRFVNT-UHFFFAOYSA-N -1 3 389.473 3.395 20 0 GGADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000013849539 1399083073 /nfs/dbraw/zinc/08/30/73/1399083073.db2.gz GAOQLEPYLYELGY-UHFFFAOYSA-N -1 3 390.505 3.153 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c1 ZINC000055558413 1407001669 /nfs/dbraw/zinc/00/16/69/1407001669.db2.gz CDBGNHLBXCSNJL-UHFFFAOYSA-N -1 3 390.358 3.227 20 0 GGADHM O=C(COc1ccc(Oc2ccccc2)cc1)N[N-]C(=O)c1ccccc1F ZINC000014279576 1399096135 /nfs/dbraw/zinc/09/61/35/1399096135.db2.gz BXWIVTALHHTTLR-UHFFFAOYSA-N -1 3 380.375 3.458 20 0 GGADHM Cc1cccc(O[C@H](C)C(=O)N[N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000014822307 1399122105 /nfs/dbraw/zinc/12/21/05/1399122105.db2.gz SYRRWGPWWXDEQY-GFCCVEGCSA-N -1 3 391.811 3.094 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CC3)ccc2C)cc1 ZINC000015133232 1399141464 /nfs/dbraw/zinc/14/14/64/1399141464.db2.gz GEGCHZGWCJHXJT-AWEZNQCLSA-N -1 3 388.489 3.333 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C3CC3)ccc2C)cc1 ZINC000015133233 1399141599 /nfs/dbraw/zinc/14/15/99/1399141599.db2.gz GEGCHZGWCJHXJT-CQSZACIVSA-N -1 3 388.489 3.333 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3C)ccc21 ZINC000015246090 1399146609 /nfs/dbraw/zinc/14/66/09/1399146609.db2.gz NRTUUWWPACCTHE-UHFFFAOYSA-N -1 3 399.516 3.305 20 0 GGADHM CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000015338850 1399155123 /nfs/dbraw/zinc/15/51/23/1399155123.db2.gz VQZOMHCTNDCVNK-CQSZACIVSA-N -1 3 376.478 3.333 20 0 GGADHM CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000015421041 1399163454 /nfs/dbraw/zinc/16/34/54/1399163454.db2.gz WYLSBZUOEZTCNN-UHFFFAOYSA-N -1 3 376.478 3.286 20 0 GGADHM CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000015433719 1399163948 /nfs/dbraw/zinc/16/39/48/1399163948.db2.gz APZVMYRGQMAGJB-UHFFFAOYSA-N -1 3 376.478 3.334 20 0 GGADHM CCOc1ccc(C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000015476064 1399165740 /nfs/dbraw/zinc/16/57/40/1399165740.db2.gz XAEGAGHHJVBXBW-UHFFFAOYSA-N -1 3 383.231 3.476 20 0 GGADHM CCOC(=O)N[N-]C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000015590636 1399175604 /nfs/dbraw/zinc/17/56/04/1399175604.db2.gz IQGKYFMALKOAIE-UHFFFAOYSA-N -1 3 375.406 3.445 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1 ZINC000055580762 1407011155 /nfs/dbraw/zinc/01/11/55/1407011155.db2.gz WYTYZXKAWSZYNN-UHFFFAOYSA-N -1 3 377.466 3.403 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c(C)c1 ZINC000055581461 1407011209 /nfs/dbraw/zinc/01/12/09/1407011209.db2.gz OVLKHPFCHPFJMU-UHFFFAOYSA-N -1 3 377.466 3.334 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1C ZINC000055589800 1407015225 /nfs/dbraw/zinc/01/52/25/1407015225.db2.gz CYWATVQGPNJOGV-UHFFFAOYSA-N -1 3 387.461 3.007 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c(C)c1 ZINC000055583869 1407012637 /nfs/dbraw/zinc/01/26/37/1407012637.db2.gz NEGOZGHCRRHBOY-SFHVURJKSA-N -1 3 377.462 3.362 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c(C)c1 ZINC000055583870 1407012650 /nfs/dbraw/zinc/01/26/50/1407012650.db2.gz NEGOZGHCRRHBOY-GOSISDBHSA-N -1 3 377.462 3.362 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1C ZINC000055584914 1407012704 /nfs/dbraw/zinc/01/27/04/1407012704.db2.gz AWSVEWHKTVGRHB-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc12 ZINC000016565017 1399250108 /nfs/dbraw/zinc/25/01/08/1399250108.db2.gz CFQVYZCOBIWALG-UHFFFAOYSA-N -1 3 395.415 3.037 20 0 GGADHM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000055585662 1407013879 /nfs/dbraw/zinc/01/38/79/1407013879.db2.gz CURZHACGCNYSCQ-UHFFFAOYSA-N -1 3 390.505 3.215 20 0 GGADHM CCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016588245 1399250968 /nfs/dbraw/zinc/25/09/68/1399250968.db2.gz XEOSTISJGGHTGI-UHFFFAOYSA-N -1 3 396.443 3.276 20 0 GGADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2nccs2)c1[O-] ZINC000016641212 1399253965 /nfs/dbraw/zinc/25/39/65/1399253965.db2.gz HFMIKORDNRLANV-UHFFFAOYSA-N -1 3 393.424 3.206 20 0 GGADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCOCC1)c1ccc(F)cc1F ZINC000016974036 1399269000 /nfs/dbraw/zinc/26/90/00/1399269000.db2.gz IWFYHDVFUSIQKL-UHFFFAOYSA-N -1 3 385.407 3.131 20 0 GGADHM COc1cc(OC)cc(C(=O)N[N-]C(=O)c2cc(SC)ccc2Cl)c1 ZINC000017059345 1399271095 /nfs/dbraw/zinc/27/10/95/1399271095.db2.gz FXBFINJQEKODTL-UHFFFAOYSA-N -1 3 380.853 3.154 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1cccnc1 ZINC000017169076 1399275478 /nfs/dbraw/zinc/27/54/78/1399275478.db2.gz REPZCHBETORSHP-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055591345 1407016273 /nfs/dbraw/zinc/01/62/73/1407016273.db2.gz UKTVFNQZFVGCHQ-UHFFFAOYSA-N -1 3 376.478 3.253 20 0 GGADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000055594974 1407018055 /nfs/dbraw/zinc/01/80/55/1407018055.db2.gz LMWPRIIZDWGCLH-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)ccc1Br ZINC000018895596 1399321872 /nfs/dbraw/zinc/32/18/72/1399321872.db2.gz DJMIUIVKPBRVSC-UHFFFAOYSA-N -1 3 381.251 3.461 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000019533459 1399331508 /nfs/dbraw/zinc/33/15/08/1399331508.db2.gz QGMCSGCGVVCYOU-UHFFFAOYSA-N -1 3 381.259 3.390 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)ccc1OC(C)C ZINC000055618328 1407026468 /nfs/dbraw/zinc/02/64/68/1407026468.db2.gz KEKYSFMEZURUDW-UHFFFAOYSA-N -1 3 390.505 3.214 20 0 GGADHM COc1cc(-c2noc(COC(=O)c3ccc([O-])cc3)n2)ccc1OC(F)F ZINC000020821043 1399354506 /nfs/dbraw/zinc/35/45/06/1399354506.db2.gz HUHBAWUVNPANAR-UHFFFAOYSA-N -1 3 392.314 3.409 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)cc1C ZINC000055608098 1407023729 /nfs/dbraw/zinc/02/37/29/1407023729.db2.gz GMDKFDNTEIWKCH-UHFFFAOYSA-N -1 3 390.461 3.065 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nc4ccccc4c(=O)n3C)cc(=O)oc12 ZINC000021279900 1399372076 /nfs/dbraw/zinc/37/20/76/1399372076.db2.gz XSFBJJBTFJJVGQ-UHFFFAOYSA-N -1 3 380.425 3.346 20 0 GGADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000055611146 1407024237 /nfs/dbraw/zinc/02/42/37/1407024237.db2.gz HTRJMCYXKFYDLF-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc4ccccc4c(=O)[nH]3)nc(=O)c2c1C ZINC000021591365 1399392930 /nfs/dbraw/zinc/39/29/30/1399392930.db2.gz AXNZZAKXSHTGPG-JTQLQIEISA-N -1 3 395.440 3.361 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)cc1C ZINC000055616010 1407025696 /nfs/dbraw/zinc/02/56/96/1407025696.db2.gz MRUAZZBWWPYMSA-UHFFFAOYSA-N -1 3 378.450 3.080 20 0 GGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC(=O)NC1CCCCC1 ZINC000021730172 1399404167 /nfs/dbraw/zinc/40/41/67/1399404167.db2.gz ANWYABZIYSXUQT-MRVPVSSYSA-N -1 3 376.240 3.025 20 0 GGADHM CCc1ccc(CN(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000021918075 1399422567 /nfs/dbraw/zinc/42/25/67/1399422567.db2.gz FTPNJYGLXIADJG-UHFFFAOYSA-N -1 3 385.489 3.274 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCc1ccccc1 ZINC000021971350 1399428291 /nfs/dbraw/zinc/42/82/91/1399428291.db2.gz OMWIURVBAPXVAJ-UHFFFAOYSA-N -1 3 388.272 3.405 20 0 GGADHM COc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc([O-])cc2)cs1 ZINC000022109638 1399437519 /nfs/dbraw/zinc/43/75/19/1399437519.db2.gz VFANNGDZOYVXGK-UHFFFAOYSA-N -1 3 398.440 3.396 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnc4ccccc4n3)nc(=O)c2c1C ZINC000022154763 1399441305 /nfs/dbraw/zinc/44/13/05/1399441305.db2.gz JLWVEJQNUZYPLV-SNVBAGLBSA-N -1 3 380.429 3.463 20 0 GGADHM Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ncccc3[O-])c2)cc1 ZINC000022263524 1399448894 /nfs/dbraw/zinc/44/88/94/1399448894.db2.gz KAESZNWXLCNJRQ-UHFFFAOYSA-N -1 3 397.456 3.173 20 0 GGADHM Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ncccc4[O-])cc3C2=O)c1 ZINC000022261780 1399449073 /nfs/dbraw/zinc/44/90/73/1399449073.db2.gz CYTDQYPRWFRRFT-UHFFFAOYSA-N -1 3 387.395 3.457 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1F ZINC000055631483 1407030441 /nfs/dbraw/zinc/03/04/41/1407030441.db2.gz WPRRRMJGHHVIIV-HNNXBMFYSA-N -1 3 381.425 3.193 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1F ZINC000055631484 1407030505 /nfs/dbraw/zinc/03/05/05/1407030505.db2.gz WPRRRMJGHHVIIV-OAHLLOKOSA-N -1 3 381.425 3.193 20 0 GGADHM COCCOCc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000055632588 1407031960 /nfs/dbraw/zinc/03/19/60/1407031960.db2.gz IPQABTPAWSJJEJ-UHFFFAOYSA-N -1 3 379.478 3.276 20 0 GGADHM CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000022623863 1399484548 /nfs/dbraw/zinc/48/45/48/1399484548.db2.gz DDDPQCMPFMAUCR-VIFPVBQESA-N -1 3 379.309 3.353 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn(-c4ccccc4)n3)nc(=O)c2c1C ZINC000023076310 1399530828 /nfs/dbraw/zinc/53/08/28/1399530828.db2.gz TULCJEKNCGXPHO-NSHDSACASA-N -1 3 395.444 3.100 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)cc2)CC1)c1cc(F)ccc1F ZINC000055638935 1407036087 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397.460 3.110 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)c(C)c1 ZINC000055651493 1407042590 /nfs/dbraw/zinc/04/25/90/1407042590.db2.gz WILFXWMBRTYZOH-UHFFFAOYSA-N -1 3 376.478 3.251 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000024379169 1399626424 /nfs/dbraw/zinc/62/64/24/1399626424.db2.gz HWQXOSPGXVXXRZ-UHFFFAOYSA-N -1 3 393.314 3.312 20 0 GGADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000055652192 1407043285 /nfs/dbraw/zinc/04/32/85/1407043285.db2.gz AMCAZMRTNMMDAP-UHFFFAOYSA-N -1 3 393.461 3.135 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024488254 1399636138 /nfs/dbraw/zinc/63/61/38/1399636138.db2.gz JBIWLSNOMSXYKP-UHFFFAOYSA-N -1 3 398.843 3.181 20 0 GGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000055652294 1407043767 /nfs/dbraw/zinc/04/37/67/1407043767.db2.gz SZXYAUSDSAFHOC-UHFFFAOYSA-N -1 3 396.852 3.261 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)cc1C ZINC000055652581 1407043891 /nfs/dbraw/zinc/04/38/91/1407043891.db2.gz KXTYVHHKUUUNPY-UHFFFAOYSA-N -1 3 390.461 3.065 20 0 GGADHM O=C1OCCN1Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000055652646 1407044393 /nfs/dbraw/zinc/04/43/93/1407044393.db2.gz ACAZWLBKSJLULG-UHFFFAOYSA-N -1 3 386.473 3.318 20 0 GGADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(C)cc1 ZINC000024746834 1399665850 /nfs/dbraw/zinc/66/58/50/1399665850.db2.gz SHHAEVNTQMUTOK-SFHVURJKSA-N -1 3 390.480 3.456 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024865405 1399681927 /nfs/dbraw/zinc/68/19/27/1399681927.db2.gz JVGOYDRJVPZAGQ-GFCCVEGCSA-N -1 3 394.443 3.239 20 0 GGADHM COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1OCC(C)C ZINC000024883807 1399685092 /nfs/dbraw/zinc/68/50/92/1399685092.db2.gz JNYGKSNZKAXILB-UHFFFAOYSA-N -1 3 392.477 3.354 20 0 GGADHM CCCOc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1OCC ZINC000024885209 1399686125 /nfs/dbraw/zinc/68/61/25/1399686125.db2.gz WOCWAEDWRFFGDM-UHFFFAOYSA-N -1 3 392.477 3.498 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024890639 1399686222 /nfs/dbraw/zinc/68/62/22/1399686222.db2.gz NDWITYXEHQBSMP-UHFFFAOYSA-N -1 3 392.525 3.099 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000024893557 1399686999 /nfs/dbraw/zinc/68/69/99/1399686999.db2.gz SFQAEBMWQVPVNM-UHFFFAOYSA-N -1 3 390.852 3.354 20 0 GGADHM CC(C)c1nnc([N-]C(=O)c2cn(-c3ccc(Br)cc3)nn2)s1 ZINC000024912300 1399691953 /nfs/dbraw/zinc/69/19/53/1399691953.db2.gz ILZHUHCVJIFWGE-UHFFFAOYSA-N -1 3 393.270 3.257 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c(C)c1 ZINC000055663427 1407048144 /nfs/dbraw/zinc/04/81/44/1407048144.db2.gz HGOIIAOORGPHCK-UHFFFAOYSA-N -1 3 378.450 3.162 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3)C3CC3)nc(=O)c2c1C ZINC000025123679 1399751900 /nfs/dbraw/zinc/75/19/00/1399751900.db2.gz IUJWPNDVDJVLCT-UHFFFAOYSA-N -1 3 383.473 3.244 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2nn(-c3ccccc3)cc2OC)c(F)cc1F ZINC000025515219 1399815247 /nfs/dbraw/zinc/81/52/47/1399815247.db2.gz YJJPQVLWFLQPPM-UHFFFAOYSA-N -1 3 387.342 3.198 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000026251970 1399873282 /nfs/dbraw/zinc/87/32/82/1399873282.db2.gz QPTXEUWYGMULQQ-UHFFFAOYSA-N -1 3 375.310 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000026251970 1399873284 /nfs/dbraw/zinc/87/32/84/1399873284.db2.gz QPTXEUWYGMULQQ-UHFFFAOYSA-N -1 3 375.310 3.328 20 0 GGADHM CCCCc1ccc(N2C[C@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2=O)cc1 ZINC000026251368 1399873411 /nfs/dbraw/zinc/87/34/11/1399873411.db2.gz IMYSSPCXIHUAPS-GFCCVEGCSA-N -1 3 395.385 3.158 20 0 GGADHM CCCCc1ccc(N2C[C@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2=O)cc1 ZINC000026251368 1399873413 /nfs/dbraw/zinc/87/34/13/1399873413.db2.gz IMYSSPCXIHUAPS-GFCCVEGCSA-N -1 3 395.385 3.158 20 0 GGADHM O=C([N-]NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(Cl)cc1Cl ZINC000026623763 1399911090 /nfs/dbraw/zinc/91/10/90/1399911090.db2.gz AABAYOCEBWFJFR-UHFFFAOYSA-N -1 3 396.255 3.112 20 0 GGADHM COc1ccc(C(=O)N[N-]C(=O)c2cc(Cl)sc2Cl)cc1OC ZINC000026961020 1399958093 /nfs/dbraw/zinc/95/80/93/1399958093.db2.gz YLFBEWCWPJPVQN-UHFFFAOYSA-N -1 3 375.233 3.147 20 0 GGADHM COCCOc1cc(NCc2cc(=O)oc3c(C)c([O-])ccc23)ccc1OC ZINC000027046970 1399973243 /nfs/dbraw/zinc/97/32/43/1399973243.db2.gz UTEANTOYTKCKAF-UHFFFAOYSA-N -1 3 385.416 3.453 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H](C)c3ccc(F)cc3)nc(=O)c2c1C ZINC000027557797 1400055697 /nfs/dbraw/zinc/05/56/97/1400055697.db2.gz HVPWLPWSRTXQPA-NSHDSACASA-N -1 3 389.452 3.412 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@H](C)c3ccc(F)cc3)nc(=O)c2c1C ZINC000027557799 1400056157 /nfs/dbraw/zinc/05/61/57/1400056157.db2.gz HVPWLPWSRTXQPA-LLVKDONJSA-N -1 3 389.452 3.412 20 0 GGADHM O=C(COC(=O)CCc1ccc(Cl)cc1Cl)[N-]C(=O)c1cccs1 ZINC000027623799 1400068585 /nfs/dbraw/zinc/06/85/85/1400068585.db2.gz WGHOIEAQUSEYBM-UHFFFAOYSA-N -1 3 386.256 3.487 20 0 GGADHM O=C(COC(=O)c1cccc2c3c([nH]c21)CCCC3)[N-]C(=O)c1cccs1 ZINC000027734491 1400084697 /nfs/dbraw/zinc/08/46/97/1400084697.db2.gz NPJBPYYLBXPLKD-UHFFFAOYSA-N -1 3 382.441 3.222 20 0 GGADHM CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000055768590 1407080291 /nfs/dbraw/zinc/08/02/91/1407080291.db2.gz BXOBPOMPCSWZBM-UHFFFAOYSA-N -1 3 380.441 3.163 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000028045131 1400122506 /nfs/dbraw/zinc/12/25/06/1400122506.db2.gz IWMNIVJVGPZBNX-LLVKDONJSA-N -1 3 380.416 3.353 20 0 GGADHM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000028255116 1400144232 /nfs/dbraw/zinc/14/42/32/1400144232.db2.gz MYZUCLRSECDHTH-UHFFFAOYSA-N -1 3 398.484 3.015 20 0 GGADHM O=C(Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)c1cccs1 ZINC000028331411 1400153063 /nfs/dbraw/zinc/15/30/63/1400153063.db2.gz YLNPIQPCPVTWRJ-UHFFFAOYSA-N -1 3 391.412 3.400 20 0 GGADHM O=C(Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)c1cccs1 ZINC000028331411 1400153069 /nfs/dbraw/zinc/15/30/69/1400153069.db2.gz YLNPIQPCPVTWRJ-UHFFFAOYSA-N -1 3 391.412 3.400 20 0 GGADHM Cc1nc(-c2ccccc2)sc1C(=O)N[N-]C(=O)c1cc(-c2ccco2)[nH]n1 ZINC000028419648 1400164069 /nfs/dbraw/zinc/16/40/69/1400164069.db2.gz HETMIJSINZYMPC-UHFFFAOYSA-N -1 3 393.428 3.176 20 0 GGADHM O=C([N-]NC(=O)c1ccccc1Cl)c1cnn(Cc2ccccc2Cl)c1 ZINC000028772748 1400194368 /nfs/dbraw/zinc/19/43/68/1400194368.db2.gz CSTDCYNJUMLDQA-UHFFFAOYSA-N -1 3 389.242 3.313 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000029009133 1400224562 /nfs/dbraw/zinc/22/45/62/1400224562.db2.gz ZPSVSWOMVZKMLX-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000029048393 1400229788 /nfs/dbraw/zinc/22/97/88/1400229788.db2.gz WZGKJOFBXONFQJ-UHFFFAOYSA-N -1 3 390.505 3.343 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1Cl ZINC000029051766 1400230679 /nfs/dbraw/zinc/23/06/79/1400230679.db2.gz IAJGRAJKMGRFGU-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)no1 ZINC000029112737 1400242675 /nfs/dbraw/zinc/24/26/75/1400242675.db2.gz HVIPCKQVAXNIMT-UHFFFAOYSA-N -1 3 375.381 3.175 20 0 GGADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000029403577 1400293639 /nfs/dbraw/zinc/29/36/39/1400293639.db2.gz QWYNTXHIZCYBJI-UHFFFAOYSA-N -1 3 385.445 3.061 20 0 GGADHM O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000029468213 1400303457 /nfs/dbraw/zinc/30/34/57/1400303457.db2.gz NLQLGCNIYLNZJT-UHFFFAOYSA-N -1 3 388.358 3.456 20 0 GGADHM O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000029468213 1400303467 /nfs/dbraw/zinc/30/34/67/1400303467.db2.gz NLQLGCNIYLNZJT-UHFFFAOYSA-N -1 3 388.358 3.456 20 0 GGADHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2csc3ccccc23)C1=O ZINC000029579931 1400318344 /nfs/dbraw/zinc/31/83/44/1400318344.db2.gz AEJUIMRGCIWEMG-OAQYLSRUSA-N -1 3 393.468 3.489 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000029687070 1400336830 /nfs/dbraw/zinc/33/68/30/1400336830.db2.gz ZUSOIWRLQCIMAH-UHFFFAOYSA-N -1 3 384.863 3.062 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c3c2CCC3)cc1 ZINC000029793107 1400353740 /nfs/dbraw/zinc/35/37/40/1400353740.db2.gz YWSASPHUTJCSNH-UHFFFAOYSA-N -1 3 376.342 3.059 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c3c2CCC3)cc1 ZINC000029793107 1400353749 /nfs/dbraw/zinc/35/37/49/1400353749.db2.gz YWSASPHUTJCSNH-UHFFFAOYSA-N -1 3 376.342 3.059 20 0 GGADHM CCCc1noc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000042743257 1400407038 /nfs/dbraw/zinc/40/70/38/1400407038.db2.gz VZDOVVYOAGXYDM-UHFFFAOYSA-N -1 3 378.860 3.232 20 0 GGADHM CCONC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000042761769 1400412215 /nfs/dbraw/zinc/41/22/15/1400412215.db2.gz LCVVSRDXFDRYTO-UHFFFAOYSA-N -1 3 376.478 3.402 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(C)C)ccc1F ZINC000042919329 1400429913 /nfs/dbraw/zinc/42/99/13/1400429913.db2.gz OWBBGQOHANKNDP-UHFFFAOYSA-N -1 3 392.452 3.330 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(NC(C)=O)ccc3F)c2)n1 ZINC000056013776 1407172066 /nfs/dbraw/zinc/17/20/66/1407172066.db2.gz JHYNVMLRBSCJDD-UHFFFAOYSA-N -1 3 394.406 3.349 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(F)c(NC(C)=O)c3)c2)n1 ZINC000056013780 1407172494 /nfs/dbraw/zinc/17/24/94/1407172494.db2.gz RFXCKTFJMWLTMN-UHFFFAOYSA-N -1 3 394.406 3.349 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OCc2ccccc2)c1)c1ccc(F)cc1F ZINC000056060862 1407185387 /nfs/dbraw/zinc/18/53/87/1407185387.db2.gz SPIOYYZGTMESFN-UHFFFAOYSA-N -1 3 390.411 3.417 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000056127757 1407216924 /nfs/dbraw/zinc/21/69/24/1407216924.db2.gz NIUYGEFHUPMVAC-GFCCVEGCSA-N -1 3 382.851 3.214 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)no1)c1ccc(Cl)cc1C(F)(F)F ZINC000056121195 1407214066 /nfs/dbraw/zinc/21/40/66/1407214066.db2.gz DXYYGQBZGSQZGS-UHFFFAOYSA-N -1 3 381.763 3.098 20 0 GGADHM Cc1c([O-])ccc2c(CNc3ccc(N4C(=O)CCCC4=O)cc3)cc(=O)oc12 ZINC000056144878 1407225154 /nfs/dbraw/zinc/22/51/54/1407225154.db2.gz OHEMBGAHARMSFD-UHFFFAOYSA-N -1 3 392.411 3.463 20 0 GGADHM Cc1c([O-])ccc2c(CNc3cccc(CN4CCOC4=O)c3)cc(=O)oc12 ZINC000056160982 1407234536 /nfs/dbraw/zinc/23/45/36/1407234536.db2.gz NTAZNQPSMRSJTO-UHFFFAOYSA-N -1 3 380.400 3.371 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)s2)ccc1F ZINC000056176840 1407241203 /nfs/dbraw/zinc/24/12/03/1407241203.db2.gz KZIRBRCAIZJKPU-GFCCVEGCSA-N -1 3 382.482 3.151 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)c2ccco2)C2CC2)ccc1F ZINC000056185895 1407245176 /nfs/dbraw/zinc/24/51/76/1407245176.db2.gz KPGWTBGLDLSYDR-ZDUSSCGKSA-N -1 3 392.452 3.249 20 0 GGADHM Cc1occc1CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000056252472 1407268419 /nfs/dbraw/zinc/26/84/19/1407268419.db2.gz XBIVMNURDOIRSH-UHFFFAOYSA-N -1 3 382.457 3.076 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cccs2)ccc1F ZINC000056282305 1407279144 /nfs/dbraw/zinc/27/91/44/1407279144.db2.gz LTVCZKPTNRVBIZ-GFCCVEGCSA-N -1 3 382.482 3.185 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccs2)ccc1F ZINC000056282304 1407279518 /nfs/dbraw/zinc/27/95/18/1407279518.db2.gz LTVCZKPTNRVBIZ-LBPRGKRZSA-N -1 3 382.482 3.185 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2OC)ccc1F ZINC000056287384 1407280282 /nfs/dbraw/zinc/28/02/82/1407280282.db2.gz RTCDNUJHUDQFJT-UHFFFAOYSA-N -1 3 398.843 3.204 20 0 GGADHM O=C([N-]NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccccc1F ZINC000056381000 1407315403 /nfs/dbraw/zinc/31/54/03/1407315403.db2.gz CVJCZPSGGTWACP-UHFFFAOYSA-N -1 3 393.205 3.393 20 0 GGADHM O=C([N-]NC(=O)c1ccccc1F)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000056381000 1407315411 /nfs/dbraw/zinc/31/54/11/1407315411.db2.gz CVJCZPSGGTWACP-UHFFFAOYSA-N -1 3 393.205 3.393 20 0 GGADHM CC(C)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC(C)(C)C ZINC000042980082 1403681545 /nfs/dbraw/zinc/68/15/45/1403681545.db2.gz NFCSAQDPTJYKHT-HNNXBMFYSA-N -1 3 399.520 3.140 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000043182914 1403727403 /nfs/dbraw/zinc/72/74/03/1403727403.db2.gz ZINQCVRIDVQERH-CQSZACIVSA-N -1 3 387.867 3.274 20 0 GGADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000043711739 1403805611 /nfs/dbraw/zinc/80/56/11/1403805611.db2.gz RLUBUBAJARITJF-HXUWFJFHSA-N -1 3 381.476 3.401 20 0 GGADHM CC[C@@H](CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000043791748 1403817781 /nfs/dbraw/zinc/81/77/81/1403817781.db2.gz NAUDIBXXBLAYDH-KRWDZBQOSA-N -1 3 381.476 3.053 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc2ccccc2o1 ZINC000043865608 1403835363 /nfs/dbraw/zinc/83/53/63/1403835363.db2.gz PJDHBMLFWRZILB-OAHLLOKOSA-N -1 3 393.443 3.367 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000044253046 1403909464 /nfs/dbraw/zinc/90/94/64/1403909464.db2.gz HXIXVMIGOXIUKZ-UHFFFAOYSA-N -1 3 395.843 3.078 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1F ZINC000044539104 1403945843 /nfs/dbraw/zinc/94/58/43/1403945843.db2.gz WUDYIBAVNVCSIV-MRXNPFEDSA-N -1 3 394.493 3.329 20 0 GGADHM COCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000044550802 1403949216 /nfs/dbraw/zinc/94/92/16/1403949216.db2.gz XWAVMPLHRVQMIK-UHFFFAOYSA-N -1 3 394.468 3.301 20 0 GGADHM COCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000044847325 1404011865 /nfs/dbraw/zinc/01/18/65/1404011865.db2.gz WLOIOVGBKYAVMF-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000044881306 1404016520 /nfs/dbraw/zinc/01/65/20/1404016520.db2.gz NINMVDWPCWDRCZ-NSHDSACASA-N -1 3 385.401 3.038 20 0 GGADHM O=C(NCCCn1ccc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044982248 1404029019 /nfs/dbraw/zinc/02/90/19/1404029019.db2.gz STLCJOPAKBTHEQ-HXUWFJFHSA-N -1 3 391.471 3.158 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)n3ccnc3)cc2)cc1 ZINC000045031766 1404040243 /nfs/dbraw/zinc/04/02/43/1404040243.db2.gz NSUCGUBKPSTQJF-OAHLLOKOSA-N -1 3 384.461 3.192 20 0 GGADHM CN(Cc1ccsc1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000045055544 1404046144 /nfs/dbraw/zinc/04/61/44/1404046144.db2.gz FKPCSQHJYWHDPX-UHFFFAOYSA-N -1 3 393.465 3.288 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1F ZINC000045269505 1404089091 /nfs/dbraw/zinc/08/90/91/1404089091.db2.gz ICJZBZCOGRABBG-OAHLLOKOSA-N -1 3 390.480 3.041 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)ccc1F ZINC000045311241 1404096831 /nfs/dbraw/zinc/09/68/31/1404096831.db2.gz PSGKFWUXVMPABY-LLVKDONJSA-N -1 3 398.406 3.059 20 0 GGADHM CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000045341754 1404101770 /nfs/dbraw/zinc/10/17/70/1404101770.db2.gz AFPPUVPPCKDEEB-UHFFFAOYSA-N -1 3 390.461 3.058 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC000045342109 1404102267 /nfs/dbraw/zinc/10/22/67/1404102267.db2.gz GCNVROGEIDCFPU-UHFFFAOYSA-N -1 3 397.456 3.284 20 0 GGADHM CCc1cc2c(CNc3ccc4c(c3)NC(=O)[C@H](C)O4)cc(=O)oc2cc1[O-] ZINC000045521366 1404137840 /nfs/dbraw/zinc/13/78/40/1404137840.db2.gz SSDXCJUHJUPHBO-NSHDSACASA-N -1 3 380.400 3.393 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000045744565 1404192786 /nfs/dbraw/zinc/19/27/86/1404192786.db2.gz HFFYEPUJHFUYKC-CYBMUJFWSA-N -1 3 387.461 3.305 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)NCc2ccc(OCc3ccccc3)cc2)n1 ZINC000045792073 1404205488 /nfs/dbraw/zinc/20/54/88/1404205488.db2.gz VOWNKTUJJWRHAM-UHFFFAOYSA-N -1 3 377.448 3.499 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)NCc2cccc(OCc3ccccc3)c2)n1 ZINC000045812118 1404211729 /nfs/dbraw/zinc/21/17/29/1404211729.db2.gz RCIVFNBOFUKAPU-UHFFFAOYSA-N -1 3 377.448 3.499 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3-n3cccn3)c2)n1 ZINC000046065721 1404288002 /nfs/dbraw/zinc/28/80/02/1404288002.db2.gz RXXXLVCMUCGBDR-UHFFFAOYSA-N -1 3 385.427 3.437 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1F ZINC000046120200 1404304572 /nfs/dbraw/zinc/30/45/72/1404304572.db2.gz NDPGCDHYVNDYRI-HNNXBMFYSA-N -1 3 392.496 3.264 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ncccc32)ccc1F ZINC000046134613 1404309457 /nfs/dbraw/zinc/30/94/57/1404309457.db2.gz LACQFKVOVPSCDH-UHFFFAOYSA-N -1 3 387.436 3.313 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046142383 1404310819 /nfs/dbraw/zinc/31/08/19/1404310819.db2.gz IMJBNIWFWKJUHG-UHFFFAOYSA-N -1 3 378.469 3.093 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1F ZINC000046149453 1404312715 /nfs/dbraw/zinc/31/27/15/1404312715.db2.gz ZDTNPMQHXMWNED-AWEZNQCLSA-N -1 3 378.469 3.046 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2)ccc1F ZINC000046163050 1404316328 /nfs/dbraw/zinc/31/63/28/1404316328.db2.gz QZKDGJPCAJYYBY-CQSZACIVSA-N -1 3 378.469 3.346 20 0 GGADHM CSc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046170786 1404318969 /nfs/dbraw/zinc/31/89/69/1404318969.db2.gz JLVWHVHBJWWVKR-UHFFFAOYSA-N -1 3 382.482 3.487 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1F ZINC000046178318 1404322094 /nfs/dbraw/zinc/32/20/94/1404322094.db2.gz GDMCTPMPKIIDRZ-CYBMUJFWSA-N -1 3 396.459 3.485 20 0 GGADHM Cc1ccc(-c2nc(COC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cs2)o1 ZINC000046235102 1404340191 /nfs/dbraw/zinc/34/01/91/1404340191.db2.gz NJSNMXQVRILGDA-UHFFFAOYSA-N -1 3 392.458 3.440 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cccs2)ccc1F ZINC000046321878 1404364156 /nfs/dbraw/zinc/36/41/56/1404364156.db2.gz QISAOJRRQUHEQH-GFCCVEGCSA-N -1 3 384.498 3.407 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)n1 ZINC000046363582 1404384521 /nfs/dbraw/zinc/38/45/21/1404384521.db2.gz USOQMEGLAGQGRG-UHFFFAOYSA-N -1 3 375.388 3.359 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)n1 ZINC000046363846 1404384547 /nfs/dbraw/zinc/38/45/47/1404384547.db2.gz ISOWPBPSWDWXFU-UHFFFAOYSA-N -1 3 394.859 3.329 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000046363299 1404384694 /nfs/dbraw/zinc/38/46/94/1404384694.db2.gz NXXBGLUMOIKBOB-UHFFFAOYSA-N -1 3 380.248 3.280 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1 ZINC000046364195 1404385360 /nfs/dbraw/zinc/38/53/60/1404385360.db2.gz KAMZWIJVHIUYOB-UHFFFAOYSA-N -1 3 392.444 3.156 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)n1 ZINC000046365819 1404386029 /nfs/dbraw/zinc/38/60/29/1404386029.db2.gz HASDQHBSFMVVRF-UHFFFAOYSA-N -1 3 386.843 3.205 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)n1 ZINC000046365074 1404386172 /nfs/dbraw/zinc/38/61/72/1404386172.db2.gz BLZCEWYQQLERSW-UHFFFAOYSA-N -1 3 381.461 3.405 20 0 GGADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000046412628 1404406206 /nfs/dbraw/zinc/40/62/06/1404406206.db2.gz NRVNEZIKDCLKRJ-TZMCWYRMSA-N -1 3 385.464 3.013 20 0 GGADHM COc1ccc(-c2csc3[n-]c(CC(=O)OC(C)C)nc(=O)c23)cc1OC ZINC000046438715 1404415785 /nfs/dbraw/zinc/41/57/85/1404415785.db2.gz QGWZQTQVEHFEOL-UHFFFAOYSA-N -1 3 388.445 3.163 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccccn1 ZINC000046452032 1404422988 /nfs/dbraw/zinc/42/29/88/1404422988.db2.gz SMVPOGQUWUCBJI-HXUWFJFHSA-N -1 3 376.412 3.392 20 0 GGADHM COCCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1OC ZINC000046454946 1404424335 /nfs/dbraw/zinc/42/43/35/1404424335.db2.gz ODJFYMYSSANBLT-UHFFFAOYSA-N -1 3 377.462 3.010 20 0 GGADHM O=C(COC(=O)CCCc1ncc(-c2ccccc2)o1)[N-]C(=O)c1cccs1 ZINC000046493967 1404443887 /nfs/dbraw/zinc/44/38/87/1404443887.db2.gz ZZXIGHFCWQGGAG-UHFFFAOYSA-N -1 3 398.440 3.226 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C ZINC000046623724 1404517288 /nfs/dbraw/zinc/51/72/88/1404517288.db2.gz NGMDUZQDAODWOY-UHFFFAOYSA-N -1 3 387.404 3.422 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000046650240 1404533229 /nfs/dbraw/zinc/53/32/29/1404533229.db2.gz DSMWQYSBGKVWQJ-ZDUSSCGKSA-N -1 3 386.408 3.087 20 0 GGADHM CC(C)c1c(C(=O)[N-]NC(=O)Cc2ccc(Cl)cc2)cnn1-c1ccccn1 ZINC000046659869 1404538273 /nfs/dbraw/zinc/53/82/73/1404538273.db2.gz NUTZUYGIERATJH-UHFFFAOYSA-N -1 3 397.866 3.048 20 0 GGADHM COc1cc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)ccc1OC(C)C ZINC000046670226 1404542431 /nfs/dbraw/zinc/54/24/31/1404542431.db2.gz MHVFIASLVGZNHB-CYBMUJFWSA-N -1 3 389.427 3.327 20 0 GGADHM CC(C)(C(=O)N[N-]C(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000046753194 1404577804 /nfs/dbraw/zinc/57/78/04/1404577804.db2.gz STJASZUWLXATHW-UHFFFAOYSA-N -1 3 379.229 3.327 20 0 GGADHM CCCC(=O)Nc1ccc(CNC(=O)N[N-]C(=O)c2ccccc2Cl)cc1 ZINC000046849161 1404610394 /nfs/dbraw/zinc/61/03/94/1404610394.db2.gz DCAARPZEESCTPQ-UHFFFAOYSA-N -1 3 388.855 3.223 20 0 GGADHM Cc1c([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cnn1-c1ccc(F)cc1 ZINC000046983553 1404659423 /nfs/dbraw/zinc/65/94/23/1404659423.db2.gz LIOHGPKYJFPGGS-LBPRGKRZSA-N -1 3 399.401 3.164 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)n1 ZINC000047034309 1404681377 /nfs/dbraw/zinc/68/13/77/1404681377.db2.gz PLUVOZHXIJZPND-SFHVURJKSA-N -1 3 391.479 3.042 20 0 GGADHM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c12 ZINC000047078133 1404699132 /nfs/dbraw/zinc/69/91/32/1404699132.db2.gz JHQOEYAZTHGKLU-UHFFFAOYSA-N -1 3 380.330 3.442 20 0 GGADHM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c12 ZINC000047078133 1404699150 /nfs/dbraw/zinc/69/91/50/1404699150.db2.gz JHQOEYAZTHGKLU-UHFFFAOYSA-N -1 3 380.330 3.442 20 0 GGADHM O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047089688 1404702965 /nfs/dbraw/zinc/70/29/65/1404702965.db2.gz BXXZVTHZBGSTRS-UHFFFAOYSA-N -1 3 394.500 3.176 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000047126002 1404714900 /nfs/dbraw/zinc/71/49/00/1404714900.db2.gz JECINQFLTKOWOX-LLVKDONJSA-N -1 3 394.244 3.163 20 0 GGADHM O=C(Nc1ccccn1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000047156505 1404725298 /nfs/dbraw/zinc/72/52/98/1404725298.db2.gz FIPTZGQBCJFPRC-UHFFFAOYSA-N -1 3 386.260 3.081 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000047156562 1404725484 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378.329 3.451 20 0 GGADHM C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000175362917 1427707634 /nfs/dbraw/zinc/70/76/34/1427707634.db2.gz HRESBFIFNDTEGG-MRXNPFEDSA-N -1 3 384.451 3.085 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176278822 1428218317 /nfs/dbraw/zinc/21/83/17/1428218317.db2.gz YTWHQVSXFIIMRM-UHFFFAOYSA-N -1 3 395.381 3.439 20 0 GGADHM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1=O ZINC000051265460 1405761108 /nfs/dbraw/zinc/76/11/08/1405761108.db2.gz RFQFRWMDXOQICS-QWRGUYRKSA-N -1 3 395.385 3.329 20 0 GGADHM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1=O ZINC000051265460 1405761124 /nfs/dbraw/zinc/76/11/24/1405761124.db2.gz RFQFRWMDXOQICS-QWRGUYRKSA-N -1 3 395.385 3.329 20 0 GGADHM CC(C)c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000051282931 1405774589 /nfs/dbraw/zinc/77/45/89/1405774589.db2.gz CREFKFPWZIJPJI-UHFFFAOYSA-N -1 3 395.503 3.349 20 0 GGADHM 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ANXJXBSIEBAOKC-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM CCc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000060426715 1407975478 /nfs/dbraw/zinc/97/54/78/1407975478.db2.gz QCLIJEVCPYKVAU-UHFFFAOYSA-N -1 3 398.525 3.456 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(=O)[n-]1 ZINC000060474946 1407986585 /nfs/dbraw/zinc/98/65/85/1407986585.db2.gz HNQRLJVJDTXZIW-UHFFFAOYSA-N -1 3 382.395 3.284 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000060497699 1407991043 /nfs/dbraw/zinc/99/10/43/1407991043.db2.gz XHQIIZZUGCFKKU-QGZVFWFLSA-N -1 3 386.439 3.465 20 0 GGADHM Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000060505589 1407992415 /nfs/dbraw/zinc/99/24/15/1407992415.db2.gz VXRXBLJXMUCNBO-UHFFFAOYSA-N -1 3 398.450 3.355 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000060602819 1408010069 /nfs/dbraw/zinc/01/00/69/1408010069.db2.gz BAMQZLLXKLQJBL-OAHLLOKOSA-N -1 3 391.374 3.015 20 0 GGADHM 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1408397613 /nfs/dbraw/zinc/39/76/13/1408397613.db2.gz CYAYJCCTSZGFEJ-UHFFFAOYSA-N -1 3 382.460 3.025 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1 ZINC000063849242 1408427249 /nfs/dbraw/zinc/42/72/49/1408427249.db2.gz HVRJLHKYUXMZCX-UHFFFAOYSA-N -1 3 379.478 3.438 20 0 GGADHM CCOc1ccc(NC(=S)N[N-]C(=O)c2ccc(CN(CC)CC)o2)cc1 ZINC000063875338 1408434842 /nfs/dbraw/zinc/43/48/42/1408434842.db2.gz GRWUDPCBYGPDDD-UHFFFAOYSA-N -1 3 390.509 3.152 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2cccc(Cl)c2)o1 ZINC000063875368 1408435163 /nfs/dbraw/zinc/43/51/63/1408435163.db2.gz GWKYHCCWKBDTLZ-UHFFFAOYSA-N -1 3 380.901 3.406 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCOc2cccc(Cl)c2)cc1 ZINC000063966986 1408455380 /nfs/dbraw/zinc/45/53/80/1408455380.db2.gz QSSVIMKXFJPRJQ-UHFFFAOYSA-N -1 3 383.853 3.337 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])c1ccc(N2CCc3ccccc3C2)cc1 ZINC000064023424 1408468325 /nfs/dbraw/zinc/46/83/25/1408468325.db2.gz LJNIUEXOWGRXDR-UHFFFAOYSA-N -1 3 387.439 3.030 20 0 GGADHM O=C(COCc1ccccc1)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000180226236 1429807481 /nfs/dbraw/zinc/80/74/81/1429807481.db2.gz CCGFQROFXBMKID-UHFFFAOYSA-N -1 3 397.656 3.080 20 0 GGADHM CC(C)CC(=O)Nc1cccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000064372490 1408541555 /nfs/dbraw/zinc/54/15/55/1408541555.db2.gz JBTQRRKCEKTAGW-CPNJWEJPSA-N -1 3 377.444 3.072 20 0 GGADHM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc4nc(-c5ccco5)[nH]c4c3)cc21 ZINC000176462874 1428327200 /nfs/dbraw/zinc/32/72/00/1428327200.db2.gz YMUUGGVHSPTEEW-UHFFFAOYSA-N -1 3 395.396 3.294 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000064476783 1408562176 /nfs/dbraw/zinc/56/21/76/1408562176.db2.gz SWKYHFOOWGJFTI-UHFFFAOYSA-N -1 3 396.852 3.194 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2C)cc1 ZINC000064476536 1408562525 /nfs/dbraw/zinc/56/25/25/1408562525.db2.gz JCLGLQSBSVKRCU-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000064485770 1408566525 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381.432 3.113 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C)cc2C)cc1OC ZINC000065803442 1408733001 /nfs/dbraw/zinc/73/30/01/1408733001.db2.gz WDRKCPZTFMGAKX-UHFFFAOYSA-N -1 3 391.493 3.395 20 0 GGADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000065806760 1408733930 /nfs/dbraw/zinc/73/39/30/1408733930.db2.gz DKGSACUSHZCZKF-UHFFFAOYSA-N -1 3 390.487 3.252 20 0 GGADHM Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)c1 ZINC000065821292 1408735178 /nfs/dbraw/zinc/73/51/78/1408735178.db2.gz ARZVTUOBEJOXQJ-UHFFFAOYSA-N -1 3 393.443 3.262 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccoc2C)cc1OC ZINC000065820741 1408735238 /nfs/dbraw/zinc/73/52/38/1408735238.db2.gz KTBDDALVWODRLL-UHFFFAOYSA-N -1 3 381.454 3.022 20 0 GGADHM COc1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@H](C)C2CC2)cc1 ZINC000065819905 1408735317 /nfs/dbraw/zinc/73/53/17/1408735317.db2.gz IMTFOXLTGRVJNI-CYBMUJFWSA-N -1 3 393.443 3.411 20 0 GGADHM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O 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CCCN1Cc2cccc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)c2C1 ZINC000066514623 1408851177 /nfs/dbraw/zinc/85/11/77/1408851177.db2.gz LZLRJEFVPRWABR-UHFFFAOYSA-N -1 3 386.521 3.097 20 0 GGADHM CCOc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)ccc1C ZINC000066525526 1408852767 /nfs/dbraw/zinc/85/27/67/1408852767.db2.gz IZIOXAQZKHHKMS-UHFFFAOYSA-N -1 3 392.452 3.226 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CSC)cc2)ccc1F ZINC000066551137 1408857255 /nfs/dbraw/zinc/85/72/55/1408857255.db2.gz RLDZWHLPQJUDLW-UHFFFAOYSA-N -1 3 394.493 3.405 20 0 GGADHM CSCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000066551278 1408857300 /nfs/dbraw/zinc/85/73/00/1408857300.db2.gz HTVJCSHZSIYLHK-UHFFFAOYSA-N -1 3 394.493 3.382 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1 ZINC000066588258 1408862227 /nfs/dbraw/zinc/86/22/27/1408862227.db2.gz SZOKIDFTDTVSFY-UHFFFAOYSA-N -1 3 395.502 3.292 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000066619208 1408869822 /nfs/dbraw/zinc/86/98/22/1408869822.db2.gz QKEQASYYABLQEQ-SFHVURJKSA-N -1 3 395.503 3.108 20 0 GGADHM CCOc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1C ZINC000066767406 1408906774 /nfs/dbraw/zinc/90/67/74/1408906774.db2.gz YIXKJNNZLTZIQY-UHFFFAOYSA-N -1 3 392.459 3.419 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCC4)cc2)c(C)c1 ZINC000066814380 1408920130 /nfs/dbraw/zinc/92/01/30/1408920130.db2.gz UEQWKKKVLWZTDG-UHFFFAOYSA-N -1 3 398.488 3.399 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(c4ccc(Cl)cn4)CC3)cc(=O)oc12 ZINC000066869692 1408937427 /nfs/dbraw/zinc/93/74/27/1408937427.db2.gz BJOUDMAHVAYLJI-UHFFFAOYSA-N -1 3 385.851 3.178 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000066885851 1408941221 /nfs/dbraw/zinc/94/12/21/1408941221.db2.gz WKGJQQVIAYHUQU-CYBMUJFWSA-N -1 3 396.443 3.089 20 0 GGADHM CNS(=O)(=O)c1ccc([C@@H](C)/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000066887612 1408941305 /nfs/dbraw/zinc/94/13/05/1408941305.db2.gz XDGKNEFDWZTQFY-XEQXHXIFSA-N -1 3 397.294 3.243 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c([O-])c1 ZINC000067068888 1409000160 /nfs/dbraw/zinc/00/01/60/1409000160.db2.gz AMZCIDKUNVZVDQ-UHFFFAOYSA-N -1 3 397.475 3.386 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ncc(C)c(OC)c3C)nc2)n1 ZINC000176571641 1428367406 /nfs/dbraw/zinc/36/74/06/1428367406.db2.gz LTXIUIPKPBFVOM-UHFFFAOYSA-N -1 3 379.464 3.051 20 0 GGADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)cc1 ZINC000067124236 1409013790 /nfs/dbraw/zinc/01/37/90/1409013790.db2.gz APOHKMAJBKYSKJ-UHFFFAOYSA-N -1 3 375.494 3.244 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCOc1ccc(F)cc1F ZINC000067144191 1409021319 /nfs/dbraw/zinc/02/13/19/1409021319.db2.gz YDZWCRWLVLJVJZ-UHFFFAOYSA-N -1 3 384.404 3.134 20 0 GGADHM C/C(=C/C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000067150999 1409023416 /nfs/dbraw/zinc/02/34/16/1409023416.db2.gz ZJARSVIVZPYKNP-PFONDFGASA-N -1 3 384.863 3.434 20 0 GGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000067153821 1409024348 /nfs/dbraw/zinc/02/43/48/1409024348.db2.gz WZCIFGMRJCVUTC-LJQANCHMSA-N -1 3 386.517 3.196 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nnc(C(C)C)o3)c2)n1 ZINC000176576943 1428368564 /nfs/dbraw/zinc/36/85/64/1428368564.db2.gz KXEGAKZCEGJHAA-UHFFFAOYSA-N -1 3 381.436 3.077 20 0 GGADHM C#Cc1cccc(NC(=S)N[N-]C(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000067196207 1409038880 /nfs/dbraw/zinc/03/88/80/1409038880.db2.gz OCQKGEHZWTZPIA-UHFFFAOYSA-N -1 3 395.875 3.138 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000067270691 1409059613 /nfs/dbraw/zinc/05/96/13/1409059613.db2.gz QOZZUSGPASNDNZ-UHFFFAOYSA-N -1 3 397.866 3.041 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000067508975 1409141431 /nfs/dbraw/zinc/14/14/31/1409141431.db2.gz RTVVBQGNVLTONQ-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000067508975 1409141443 /nfs/dbraw/zinc/14/14/43/1409141443.db2.gz RTVVBQGNVLTONQ-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)CCOc2cccc(Cl)c2)o1 ZINC000067688239 1409207592 /nfs/dbraw/zinc/20/75/92/1409207592.db2.gz NONIDTSOCKKRFP-UHFFFAOYSA-N -1 3 393.871 3.005 20 0 GGADHM O=C(CCc1ccncc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628004 1428384114 /nfs/dbraw/zinc/38/41/14/1428384114.db2.gz CKIUPULPKKSKDF-UHFFFAOYSA-N -1 3 387.867 3.251 20 0 GGADHM CCCCO[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176629882 1428385080 /nfs/dbraw/zinc/38/50/80/1428385080.db2.gz BZBGUTWZGRHBPA-CYBMUJFWSA-N -1 3 382.888 3.428 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1 ZINC000067874288 1409247622 /nfs/dbraw/zinc/24/76/22/1409247622.db2.gz UTKXRPWSKWHYQU-UHFFFAOYSA-N -1 3 375.494 3.035 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1NC(C)=O ZINC000067899593 1409252193 /nfs/dbraw/zinc/25/21/93/1409252193.db2.gz SEQBVXUSZUJSFL-UHFFFAOYSA-N -1 3 394.518 3.360 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(OCC(F)(F)F)c2C)c(=O)[n-]1 ZINC000068055414 1409288003 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ZINC000068541405 1409432156 /nfs/dbraw/zinc/43/21/56/1409432156.db2.gz CROHKBDBAOGVAB-UHFFFAOYSA-N -1 3 376.342 3.059 20 0 GGADHM Cc1ccccc1-n1nc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2c1CCC2 ZINC000068541405 1409432160 /nfs/dbraw/zinc/43/21/60/1409432160.db2.gz CROHKBDBAOGVAB-UHFFFAOYSA-N -1 3 376.342 3.059 20 0 GGADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)cc1 ZINC000176682516 1428404032 /nfs/dbraw/zinc/40/40/32/1428404032.db2.gz GKBOXVRXUVNBNB-UHFFFAOYSA-N -1 3 393.266 3.139 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(-n2cncn2)cc1 ZINC000176682560 1428404461 /nfs/dbraw/zinc/40/44/61/1428404461.db2.gz DAFXDZTXVXJVTI-UHFFFAOYSA-N -1 3 382.367 3.395 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000068606678 1409449632 /nfs/dbraw/zinc/44/96/32/1409449632.db2.gz PXTJKKMTEMMCKG-GFCCVEGCSA-N -1 3 390.399 3.123 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N(CC)CC)nc3)nc2)n1 ZINC000068666697 1409463209 /nfs/dbraw/zinc/46/32/09/1409463209.db2.gz UPSPLCAJLLJNHQ-UHFFFAOYSA-N -1 3 378.480 3.248 20 0 GGADHM CCOc1ccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cc1OC ZINC000068665475 1409463373 /nfs/dbraw/zinc/46/33/73/1409463373.db2.gz SHLDCYUUMKEWON-UHFFFAOYSA-N -1 3 380.448 3.414 20 0 GGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000068683030 1409468363 /nfs/dbraw/zinc/46/83/63/1409468363.db2.gz OPRVXZLFBCDYOX-UHFFFAOYSA-N -1 3 385.449 3.109 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(OC)cc3OC)nc2)n1 ZINC000068694097 1409470628 /nfs/dbraw/zinc/47/06/28/1409470628.db2.gz VUQYKBMZMUTCJE-UHFFFAOYSA-N -1 3 380.448 3.066 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C[C@@H]3OCCc4ccccc43)nc2)n1 ZINC000068697344 1409471457 /nfs/dbraw/zinc/47/14/57/1409471457.db2.gz IFKXBTCFUYXOGF-IBGZPJMESA-N -1 3 376.460 3.145 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4cccc(F)c4)C3)nc2)n1 ZINC000068699368 1409471581 /nfs/dbraw/zinc/47/15/81/1409471581.db2.gz GJINOAXNQAJCMD-GOSISDBHSA-N -1 3 380.423 3.111 20 0 GGADHM CCSc1ccc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)cn1 ZINC000068721383 1409478872 /nfs/dbraw/zinc/47/88/72/1409478872.db2.gz XXQSQHXUIVHAQK-UHFFFAOYSA-N -1 3 386.502 3.228 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)n1 ZINC000068855502 1409508575 /nfs/dbraw/zinc/50/85/75/1409508575.db2.gz RGAWCWXKPLXHNB-UHFFFAOYSA-N -1 3 381.870 3.389 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(-c2cccnc2)no1 ZINC000068909567 1409521989 /nfs/dbraw/zinc/52/19/89/1409521989.db2.gz YAERQKCJCONLPB-MRXNPFEDSA-N -1 3 390.440 3.087 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1F ZINC000068921920 1409525224 /nfs/dbraw/zinc/52/52/24/1409525224.db2.gz LKDHNIBTYQNINX-UHFFFAOYSA-N -1 3 399.806 3.189 20 0 GGADHM c1ccc2c(c1)nc(-c1cccnc1)nc2NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068974197 1409535909 /nfs/dbraw/zinc/53/59/09/1409535909.db2.gz KQWCBDHLLXILSE-UHFFFAOYSA-N -1 3 380.415 3.484 20 0 GGADHM c1ccc2c(c1)nc(-c1cccnc1)nc2NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068974197 1409535919 /nfs/dbraw/zinc/53/59/19/1409535919.db2.gz KQWCBDHLLXILSE-UHFFFAOYSA-N -1 3 380.415 3.484 20 0 GGADHM CCc1cc2c(CN3CCN(c4ccccc4OC)CC3)cc(=O)oc2cc1[O-] ZINC000069039122 1409550496 /nfs/dbraw/zinc/55/04/96/1409550496.db2.gz XAWRRRWXUTWFFX-UHFFFAOYSA-N -1 3 394.471 3.392 20 0 GGADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)N(C)C)cc1 ZINC000069090689 1409563314 /nfs/dbraw/zinc/56/33/14/1409563314.db2.gz QSJCIUDRAZLPDS-HNNXBMFYSA-N -1 3 386.439 3.248 20 0 GGADHM CCc1noc(-c2ccc(CC[N-]S(=O)(=O)c3ccc(F)cc3F)cc2)n1 ZINC000069129887 1409573642 /nfs/dbraw/zinc/57/36/42/1409573642.db2.gz JPFYJTBILIXZSH-UHFFFAOYSA-N -1 3 393.415 3.098 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000069298239 1409609120 /nfs/dbraw/zinc/60/91/20/1409609120.db2.gz BIXNQGJKTRZICO-STQMWFEESA-N -1 3 389.418 3.251 20 0 GGADHM O=C(NCCCCCc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000069330010 1409614478 /nfs/dbraw/zinc/61/44/78/1409614478.db2.gz KBDYGFGGBCEMID-UHFFFAOYSA-N -1 3 395.503 3.273 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000069374715 1409624438 /nfs/dbraw/zinc/62/44/38/1409624438.db2.gz OZEGABJGFWJLQA-UHFFFAOYSA-N -1 3 379.420 3.123 20 0 GGADHM O=C(NCC1CC1)[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000069375664 1409625169 /nfs/dbraw/zinc/62/51/69/1409625169.db2.gz JEYXSCONPNFOIM-QGZVFWFLSA-N -1 3 391.585 3.259 20 0 GGADHM CC(C)[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(-c2ccncc2)no1 ZINC000069437762 1409635777 /nfs/dbraw/zinc/63/57/77/1409635777.db2.gz BAYSQWDMVKBJNS-KRWDZBQOSA-N -1 3 389.415 3.100 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c([O-])c1 ZINC000069486742 1409642147 /nfs/dbraw/zinc/64/21/47/1409642147.db2.gz USMOKZRBOKACBH-UHFFFAOYSA-N -1 3 388.414 3.392 20 0 GGADHM CCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000069747430 1409691167 /nfs/dbraw/zinc/69/11/67/1409691167.db2.gz XEKYDGWEYAOAID-UHFFFAOYSA-N -1 3 376.453 3.499 20 0 GGADHM O=C(NCCCCCc1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000069829619 1409711792 /nfs/dbraw/zinc/71/17/92/1409711792.db2.gz YKUKHAXAQYBMQO-UHFFFAOYSA-N -1 3 395.503 3.273 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](CN2CCOCC2)C1 ZINC000069971288 1409733236 /nfs/dbraw/zinc/73/32/36/1409733236.db2.gz OJESFAFWTFFBQT-OAQYLSRUSA-N -1 3 394.515 3.167 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069971296 1409733316 /nfs/dbraw/zinc/73/33/16/1409733316.db2.gz OJESFAFWTFFBQT-NRFANRHFSA-N -1 3 394.515 3.167 20 0 GGADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000069984521 1409734595 /nfs/dbraw/zinc/73/45/95/1409734595.db2.gz FFVHUUIPRZMNJY-UHFFFAOYSA-N -1 3 386.456 3.033 20 0 GGADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000069984521 1409734601 /nfs/dbraw/zinc/73/46/01/1409734601.db2.gz FFVHUUIPRZMNJY-UHFFFAOYSA-N -1 3 386.456 3.033 20 0 GGADHM CCOc1ccccc1N1CCN([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736654785 1428428069 /nfs/dbraw/zinc/42/80/69/1428428069.db2.gz XYQKNSPTYZFDQG-INIZCTEOSA-N -1 3 378.480 3.149 20 0 GGADHM O=C(CSc1ccc(Br)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070730924 1409761501 /nfs/dbraw/zinc/76/15/01/1409761501.db2.gz GYKTVYQWYAMSKI-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM O=C(CSc1ccc(Br)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070730924 1409761509 /nfs/dbraw/zinc/76/15/09/1409761509.db2.gz GYKTVYQWYAMSKI-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM C[C@H]1CN([C@@H](CNC(=O)c2ccccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000071907009 1409830175 /nfs/dbraw/zinc/83/01/75/1409830175.db2.gz VKUHNBKNOCXUGI-GUYCJALGSA-N -1 3 392.858 3.377 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc([O-])cc1 ZINC000071961871 1409834119 /nfs/dbraw/zinc/83/41/19/1409834119.db2.gz BFAWYLJPCCLJEI-HOTGVXAUSA-N -1 3 392.377 3.061 20 0 GGADHM Cc1cccnc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000078512591 1409922362 /nfs/dbraw/zinc/92/23/62/1409922362.db2.gz ZOACVPZMGBAERN-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)ccc1F ZINC000079053574 1409953127 /nfs/dbraw/zinc/95/31/27/1409953127.db2.gz UCIYRKFXIAZLHF-LBPRGKRZSA-N -1 3 398.887 3.090 20 0 GGADHM CCc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)s1 ZINC000825704280 1428453234 /nfs/dbraw/zinc/45/32/34/1428453234.db2.gz FVWGSUIOIBPIPZ-GUYCJALGSA-N -1 3 396.520 3.337 20 0 GGADHM CCc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)s1 ZINC000825704280 1428453237 /nfs/dbraw/zinc/45/32/37/1428453237.db2.gz FVWGSUIOIBPIPZ-GUYCJALGSA-N -1 3 396.520 3.337 20 0 GGADHM COc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1OC(C)C ZINC000091810909 1410082624 /nfs/dbraw/zinc/08/26/24/1410082624.db2.gz ACSMYLXGYSSBPA-UHFFFAOYSA-N -1 3 384.476 3.146 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000091811213 1410083464 /nfs/dbraw/zinc/08/34/64/1410083464.db2.gz OGWZPHWDQARTBQ-UHFFFAOYSA-N -1 3 380.366 3.249 20 0 GGADHM CCCOc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1OC ZINC000091811167 1410083514 /nfs/dbraw/zinc/08/35/14/1410083514.db2.gz WDSMMBZANINRLC-UHFFFAOYSA-N -1 3 384.476 3.148 20 0 GGADHM CCCCn1nc(C)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000091815231 1410083618 /nfs/dbraw/zinc/08/36/18/1410083618.db2.gz PYIVQFQZTQLCMH-UHFFFAOYSA-N -1 3 390.915 3.309 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000091811198 1410083738 /nfs/dbraw/zinc/08/37/38/1410083738.db2.gz ZVWMBDFWAJPWNS-UHFFFAOYSA-N -1 3 382.432 3.399 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000091924543 1410092644 /nfs/dbraw/zinc/09/26/44/1410092644.db2.gz VKZKXPGMJBEVMQ-UHFFFAOYSA-N -1 3 382.432 3.399 20 0 GGADHM Cc1cccc(-c2n[nH]cc2CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000091923919 1410092850 /nfs/dbraw/zinc/09/28/50/1410092850.db2.gz XOPPAFUGEGYWJR-UHFFFAOYSA-N -1 3 376.460 3.049 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000092092266 1410107295 /nfs/dbraw/zinc/10/72/95/1410107295.db2.gz MPALZPODYXHBOQ-PBHICJAKSA-N -1 3 393.409 3.401 20 0 GGADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000092870586 1410206182 /nfs/dbraw/zinc/20/61/82/1410206182.db2.gz KSCULADZXMJNBK-UHFFFAOYSA-N -1 3 376.445 3.427 20 0 GGADHM CCc1cccc(C(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1[O-] ZINC000093910602 1410283580 /nfs/dbraw/zinc/28/35/80/1410283580.db2.gz XHHIKFFUPLHSCV-IBGZPJMESA-N -1 3 395.459 3.225 20 0 GGADHM NC(=O)NCc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000094062197 1410300664 /nfs/dbraw/zinc/30/06/64/1410300664.db2.gz GABSASMNECPUDX-UHFFFAOYSA-N -1 3 375.428 3.404 20 0 GGADHM O=C(Nc1cccnc1-n1cncn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094062610 1410300919 /nfs/dbraw/zinc/30/09/19/1410300919.db2.gz GSHKBHZCCVRLHV-UHFFFAOYSA-N -1 3 387.399 3.199 20 0 GGADHM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094075517 1410302064 /nfs/dbraw/zinc/30/20/64/1410302064.db2.gz PJWFZGFTHLAHRB-IBGZPJMESA-N -1 3 396.512 3.024 20 0 GGADHM CN(C)Cc1nc(C(C)(C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000094087029 1410302399 /nfs/dbraw/zinc/30/23/99/1410302399.db2.gz ICWGJBRBBYSFGB-UHFFFAOYSA-N -1 3 394.475 3.093 20 0 GGADHM Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1O ZINC000094122622 1410305512 /nfs/dbraw/zinc/30/55/12/1410305512.db2.gz RKEUAIDQVHZTDW-UHFFFAOYSA-N -1 3 388.367 3.343 20 0 GGADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094137224 1410307607 /nfs/dbraw/zinc/30/76/07/1410307607.db2.gz YJELWQYIKLIBHP-INIZCTEOSA-N -1 3 389.517 3.073 20 0 GGADHM C[C@H]([C@H](C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-])S(C)(=O)=O ZINC000094138859 1410308066 /nfs/dbraw/zinc/30/80/66/1410308066.db2.gz CYVMOKFIRDWNPR-JKSUJKDBSA-N -1 3 389.517 3.071 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccn2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000097206672 1410357721 /nfs/dbraw/zinc/35/77/21/1410357721.db2.gz XVENCQZEFBZFSZ-UHFFFAOYSA-N -1 3 380.423 3.087 20 0 GGADHM CCCCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098067286 1410405203 /nfs/dbraw/zinc/40/52/03/1410405203.db2.gz MWTCTSKKILATGE-UHFFFAOYSA-N -1 3 381.325 3.458 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000098097354 1410413562 /nfs/dbraw/zinc/41/35/62/1410413562.db2.gz GZRLGTCNPIHYKR-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000098097354 1410413573 /nfs/dbraw/zinc/41/35/73/1410413573.db2.gz GZRLGTCNPIHYKR-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000098116106 1410425832 /nfs/dbraw/zinc/42/58/32/1410425832.db2.gz CEGCTKQNKHOMCQ-DTWKUNHWSA-N -1 3 380.248 3.464 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000098116106 1410425837 /nfs/dbraw/zinc/42/58/37/1410425837.db2.gz CEGCTKQNKHOMCQ-DTWKUNHWSA-N -1 3 380.248 3.464 20 0 GGADHM COCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000101520621 1410445403 /nfs/dbraw/zinc/44/54/03/1410445403.db2.gz JPGJRNDULSGQAK-CQSZACIVSA-N -1 3 394.468 3.090 20 0 GGADHM COc1ccc(CCNC(=O)c2c[n-]c3ccccc3c2=O)cc1OC(F)F ZINC000101524284 1410448089 /nfs/dbraw/zinc/44/80/89/1410448089.db2.gz 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CC(C)(C)c1nnc([N-]C(=O)c2oc3ccccc3c2CS(C)(=O)=O)s1 ZINC000102236786 1410586688 /nfs/dbraw/zinc/58/66/88/1410586688.db2.gz OQQIVKIOKVQNES-UHFFFAOYSA-N -1 3 393.490 3.379 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)cc1 ZINC000102320823 1410597987 /nfs/dbraw/zinc/59/79/87/1410597987.db2.gz SKDQSNWCEIDPFW-UHFFFAOYSA-N -1 3 390.461 3.357 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000102748142 1410721560 /nfs/dbraw/zinc/72/15/60/1410721560.db2.gz YUJKKWWQSWRXBE-UHFFFAOYSA-N -1 3 378.469 3.388 20 0 GGADHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000102748180 1410721920 /nfs/dbraw/zinc/72/19/20/1410721920.db2.gz FQFVOZFXNDOEEH-UHFFFAOYSA-N -1 3 390.480 3.342 20 0 GGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102748153 1410722468 /nfs/dbraw/zinc/72/24/68/1410722468.db2.gz MBRNYQFBQGGWKN-UHFFFAOYSA-N -1 3 378.469 3.416 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000102907589 1410806195 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ZINC000177096740 1428587082 /nfs/dbraw/zinc/58/70/82/1428587082.db2.gz LVTGBWWTEHDWMB-UONOGXRCSA-N -1 3 376.453 3.497 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1OC ZINC000108990222 1411655137 /nfs/dbraw/zinc/65/51/37/1411655137.db2.gz CUIKXUYGXCMFOX-LBPRGKRZSA-N -1 3 380.441 3.338 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)OCc1ccccc1 ZINC000109064687 1411673620 /nfs/dbraw/zinc/67/36/20/1411673620.db2.gz UGPLHKMPKLBPRW-UHFFFAOYSA-N -1 3 388.272 3.156 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000109188399 1411707292 /nfs/dbraw/zinc/70/72/92/1411707292.db2.gz DGJJGRYWYFEUNA-UHFFFAOYSA-N -1 3 392.503 3.158 20 0 GGADHM CC(C)N(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000109310155 1411737867 /nfs/dbraw/zinc/73/78/67/1411737867.db2.gz GNMFFLKXMMONRT-UHFFFAOYSA-N -1 3 397.447 3.044 20 0 GGADHM CCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000109407832 1411756565 /nfs/dbraw/zinc/75/65/65/1411756565.db2.gz KUHLEWPSRXFYDQ-UHFFFAOYSA-N -1 3 376.478 3.286 20 0 GGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000109423201 1411759118 /nfs/dbraw/zinc/75/91/18/1411759118.db2.gz SKYHRUVLHJEZNQ-UHFFFAOYSA-N -1 3 387.505 3.180 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3F)c(C)c2)CC1 ZINC000109423493 1411759256 /nfs/dbraw/zinc/75/92/56/1411759256.db2.gz CSNPBSFLUJETJZ-UHFFFAOYSA-N -1 3 395.475 3.216 20 0 GGADHM CN1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3Cl)cc2)CC1 ZINC000109423647 1411759646 /nfs/dbraw/zinc/75/96/46/1411759646.db2.gz LHZLTJSTRQDCMZ-UHFFFAOYSA-N -1 3 383.876 3.032 20 0 GGADHM CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2Cl)CC1 ZINC000109426373 1411760390 /nfs/dbraw/zinc/76/03/90/1411760390.db2.gz FNFVEVASBDGGHI-UHFFFAOYSA-N -1 3 383.876 3.032 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N(C)C)c(Cl)c3)ccc21 ZINC000109426109 1411760530 /nfs/dbraw/zinc/76/05/30/1411760530.db2.gz ZCWLFAVCYCPPIT-UHFFFAOYSA-N -1 3 393.896 3.116 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(COc2ccccc2)no1 ZINC000109481749 1411771669 /nfs/dbraw/zinc/77/16/69/1411771669.db2.gz QMDKALCVLAZQFE-GFCCVEGCSA-N -1 3 393.852 3.342 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccccc3)no2)ccc1F ZINC000109491605 1411773465 /nfs/dbraw/zinc/77/34/65/1411773465.db2.gz FRWAMCLIOFPCMX-UHFFFAOYSA-N -1 3 375.425 3.153 20 0 GGADHM Cc1ccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1F ZINC000109506439 1411776060 /nfs/dbraw/zinc/77/60/60/1411776060.db2.gz VKNBCZLFMYHNLX-UHFFFAOYSA-N -1 3 377.379 3.229 20 0 GGADHM COc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)cc1 ZINC000109531518 1411780056 /nfs/dbraw/zinc/78/00/56/1411780056.db2.gz FRCJDEJVPACCLE-UHFFFAOYSA-N -1 3 391.424 3.238 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000109538132 1411781864 /nfs/dbraw/zinc/78/18/64/1411781864.db2.gz QEKCKSMLIMBVTA-UHFFFAOYSA-N -1 3 381.342 3.059 20 0 GGADHM Cc1nc(C)c(Cc2nc(-c3ccc(OCc4cccnc4)cc3)no2)c(=O)[n-]1 ZINC000109576687 1411790723 /nfs/dbraw/zinc/79/07/23/1411790723.db2.gz CTDLFEIBTUUKDU-UHFFFAOYSA-N -1 3 389.415 3.002 20 0 GGADHM CC(C)[C@@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1ccc(F)cc1 ZINC000109744426 1411807149 /nfs/dbraw/zinc/80/71/49/1411807149.db2.gz IVIOTGGVSOHRKK-OAQYLSRUSA-N -1 3 388.439 3.156 20 0 GGADHM O=C(CCOc1ccccc1)[N-]OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000109744450 1411807289 /nfs/dbraw/zinc/80/72/89/1411807289.db2.gz PDTXRBMANIXMEL-UHFFFAOYSA-N -1 3 394.427 3.227 20 0 GGADHM COc1ccc(-c2csc(NC(=O)c3nnc4ccccc4c3[O-])n2)cc1F ZINC000109937393 1411819660 /nfs/dbraw/zinc/81/96/60/1411819660.db2.gz JANYVUKUMUTGDH-UHFFFAOYSA-N -1 3 396.403 3.447 20 0 GGADHM CN(Cc1cc(Br)cs1)C(=O)c1nnc2ccccc2c1[O-] ZINC000109951222 1411820504 /nfs/dbraw/zinc/82/05/04/1411820504.db2.gz GTENZICSAMZXCX-UHFFFAOYSA-N -1 3 378.251 3.019 20 0 GGADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1nnc2ccccc2c1[O-] ZINC000109955362 1411820850 /nfs/dbraw/zinc/82/08/50/1411820850.db2.gz VBNFGQPJALUGGT-UHFFFAOYSA-N -1 3 385.427 3.375 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000109953505 1411820989 /nfs/dbraw/zinc/82/09/89/1411820989.db2.gz VCTRBEKMAWNNSO-UHFFFAOYSA-N -1 3 378.819 3.256 20 0 GGADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1nnc2ccccc2c1[O-] ZINC000109956215 1411821382 /nfs/dbraw/zinc/82/13/82/1411821382.db2.gz SHMJNEUGKOJDHH-UHFFFAOYSA-N -1 3 397.862 3.055 20 0 GGADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1nnc2ccccc2c1[O-] ZINC000109961204 1411821614 /nfs/dbraw/zinc/82/16/14/1411821614.db2.gz RGVHXIDMOXHDIY-UHFFFAOYSA-N -1 3 390.374 3.180 20 0 GGADHM CN(C)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])c(C(F)(F)F)c1 ZINC000110059124 1411828603 /nfs/dbraw/zinc/82/86/03/1411828603.db2.gz OXNSKQBGHFJHIO-UHFFFAOYSA-N -1 3 376.338 3.260 20 0 GGADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1nnc2ccccc2c1[O-] ZINC000110062693 1411828761 /nfs/dbraw/zinc/82/87/61/1411828761.db2.gz ZYWBEKVUDYYUNU-UHFFFAOYSA-N -1 3 384.233 3.105 20 0 GGADHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])c(OC[C@H]2CCCO2)c1 ZINC000110061512 1411828941 /nfs/dbraw/zinc/82/89/41/1411828941.db2.gz OMNUTRDQKFUMNF-CQSZACIVSA-N -1 3 379.416 3.042 20 0 GGADHM O=C(Nc1ccc(N2CCOCC2)cn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110081063 1411830274 /nfs/dbraw/zinc/83/02/74/1411830274.db2.gz IMDQGIOLRIZMLI-UHFFFAOYSA-N -1 3 389.455 3.467 20 0 GGADHM O=S(=O)([N-]c1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc(F)cc1 ZINC000110094978 1411831156 /nfs/dbraw/zinc/83/11/56/1411831156.db2.gz NQMALHLJYLELNW-UHFFFAOYSA-N -1 3 389.408 3.466 20 0 GGADHM O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000110225393 1411838647 /nfs/dbraw/zinc/83/86/47/1411838647.db2.gz AHTSRNXVMFQYRV-SFHVURJKSA-N -1 3 378.472 3.114 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)NCc1ccccc1 ZINC000110225898 1411838737 /nfs/dbraw/zinc/83/87/37/1411838737.db2.gz BPCHVXBSHWTXBA-QGZVFWFLSA-N -1 3 388.467 3.418 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2ccncc2)no1 ZINC000110334816 1411845435 /nfs/dbraw/zinc/84/54/35/1411845435.db2.gz RTGUZQLGVJKFDQ-MRXNPFEDSA-N -1 3 390.440 3.087 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 ZINC000110387741 1411848364 /nfs/dbraw/zinc/84/83/64/1411848364.db2.gz OGELAIVROFVNDI-AWEZNQCLSA-N -1 3 398.488 3.286 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000110558527 1411857258 /nfs/dbraw/zinc/85/72/58/1411857258.db2.gz SJYNJYPKGVRUQN-LLVKDONJSA-N -1 3 381.398 3.086 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000110868981 1411874426 /nfs/dbraw/zinc/87/44/26/1411874426.db2.gz OPRHQNFAGYTBDD-UHFFFAOYSA-N -1 3 383.473 3.233 20 0 GGADHM CN(CC1CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000111070258 1411885729 /nfs/dbraw/zinc/88/57/29/1411885729.db2.gz UIZWSHDAGWLSOD-UHFFFAOYSA-N -1 3 376.453 3.499 20 0 GGADHM CN(CC1CCC1)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000111070570 1411885939 /nfs/dbraw/zinc/88/59/39/1411885939.db2.gz QLVNVKYOHVTXBN-UHFFFAOYSA-N -1 3 391.320 3.306 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCc2nc(C3CCCCC3)cs2)c(=O)[n-]1 ZINC000111095807 1411886799 /nfs/dbraw/zinc/88/67/99/1411886799.db2.gz AUJDJFOXEZKKOZ-UHFFFAOYSA-N -1 3 388.537 3.182 20 0 GGADHM C[C@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000111180123 1411893882 /nfs/dbraw/zinc/89/38/82/1411893882.db2.gz HAZYDQZFFHBNDH-AWEZNQCLSA-N -1 3 376.840 3.034 20 0 GGADHM O=C(CCOc1ccccc1)[N-]OCc1cccc(C(=O)N2CCCCC2)c1 ZINC000111180060 1411894039 /nfs/dbraw/zinc/89/40/39/1411894039.db2.gz JHVJDQKGDJWXDI-UHFFFAOYSA-N -1 3 382.460 3.330 20 0 GGADHM CCOC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000111212207 1411896046 /nfs/dbraw/zinc/89/60/46/1411896046.db2.gz ZIQHOOPDYZMIDK-UHFFFAOYSA-N -1 3 380.293 3.289 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1Cc2ccccc2C1 ZINC000111362596 1411924670 /nfs/dbraw/zinc/92/46/70/1411924670.db2.gz BKBGRNLDHUSHKC-UHFFFAOYSA-N -1 3 396.871 3.080 20 0 GGADHM COc1ccccc1-c1csc(NC(=O)c2nnc3ccccc3c2[O-])n1 ZINC000111565614 1411992179 /nfs/dbraw/zinc/99/21/79/1411992179.db2.gz KQULYARSWPYYBU-UHFFFAOYSA-N -1 3 378.413 3.308 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000111569156 1411993311 /nfs/dbraw/zinc/99/33/11/1411993311.db2.gz PGCUVYYQWKJPAS-IAGOWNOFSA-N -1 3 392.377 3.061 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000111569151 1411993587 /nfs/dbraw/zinc/99/35/87/1411993587.db2.gz PGCUVYYQWKJPAS-SJORKVTESA-N -1 3 392.377 3.061 20 0 GGADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000111581083 1411996079 /nfs/dbraw/zinc/99/60/79/1411996079.db2.gz HSOWTPANZKOJHU-LLVKDONJSA-N -1 3 391.349 3.355 20 0 GGADHM Cc1ccc2nc([C@H]3CCCN(C(=O)c4n[n-]c5ccccc5c4=O)C3)[nH]c2c1 ZINC000111591036 1411997492 /nfs/dbraw/zinc/99/74/92/1411997492.db2.gz GFLUEYAYABUFGC-AWEZNQCLSA-N -1 3 387.443 3.128 20 0 GGADHM O=C(Nc1cccc(OCc2cscn2)c1)c1nnc2ccccc2c1[O-] ZINC000111592979 1411998056 /nfs/dbraw/zinc/99/80/56/1411998056.db2.gz HTHZYISBYPPXCM-UHFFFAOYSA-N -1 3 378.413 3.211 20 0 GGADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000111593541 1411998178 /nfs/dbraw/zinc/99/81/78/1411998178.db2.gz ZKJMWPKEJUNVGT-GOSISDBHSA-N -1 3 387.443 3.270 20 0 GGADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111595306 1411998851 /nfs/dbraw/zinc/99/88/51/1411998851.db2.gz NPUCRRYNEFSSGL-CQSZACIVSA-N -1 3 396.878 3.141 20 0 GGADHM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1nnc2ccccc2c1[O-] ZINC000111599153 1412000172 /nfs/dbraw/zinc/00/01/72/1412000172.db2.gz AULNXEMOHMWNJU-UHFFFAOYSA-N -1 3 383.820 3.347 20 0 GGADHM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1nnc2ccccc2c1[O-] ZINC000111606566 1412000698 /nfs/dbraw/zinc/00/06/98/1412000698.db2.gz FPINOOVPVJDXPM-UHFFFAOYSA-N -1 3 383.820 3.347 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000111619166 1412002900 /nfs/dbraw/zinc/00/29/00/1412002900.db2.gz VTIVMTAWFKKOTN-LJQANCHMSA-N -1 3 397.862 3.162 20 0 GGADHM CCc1nc(CN2CCC(CNC(=O)c3ccc(OC)cc3[O-])CC2)cs1 ZINC000111646492 1412007645 /nfs/dbraw/zinc/00/76/45/1412007645.db2.gz MLOIUWNYBGSNKL-UHFFFAOYSA-N -1 3 389.521 3.062 20 0 GGADHM CC(=O)c1c(C)cc(C)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000177181525 1428618211 /nfs/dbraw/zinc/61/82/11/1428618211.db2.gz BJVGEXBKSWUVMG-UHFFFAOYSA-N -1 3 380.488 3.478 20 0 GGADHM Cc1cnn(CCCCCS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)c1 ZINC000111902601 1412046743 /nfs/dbraw/zinc/04/67/43/1412046743.db2.gz XRMACNKLCHLGTQ-UHFFFAOYSA-N -1 3 379.530 3.077 20 0 GGADHM Cc1cnn(CCCCCS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)c1 ZINC000111902601 1412046750 /nfs/dbraw/zinc/04/67/50/1412046750.db2.gz XRMACNKLCHLGTQ-UHFFFAOYSA-N -1 3 379.530 3.077 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000111900940 1412047033 /nfs/dbraw/zinc/04/70/33/1412047033.db2.gz XPDLAAIVRUVDAQ-LEWJYISDSA-N -1 3 393.487 3.196 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c(=O)[n-]1 ZINC000112251786 1412103254 /nfs/dbraw/zinc/10/32/54/1412103254.db2.gz MWMZEUKQBDCZPG-GOSISDBHSA-N -1 3 389.471 3.068 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000112265968 1412110753 /nfs/dbraw/zinc/11/07/53/1412110753.db2.gz FJGBRQBEHKQQMQ-LDADJPATSA-N -1 3 398.484 3.123 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000112318766 1412131530 /nfs/dbraw/zinc/13/15/30/1412131530.db2.gz BWBDMSJRWQSDPS-UHFFFAOYSA-N -1 3 398.484 3.494 20 0 GGADHM CC[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)Oc1ccccc1F ZINC000177201616 1428629015 /nfs/dbraw/zinc/62/90/15/1428629015.db2.gz BPXYQBZMIPZAFT-CYBMUJFWSA-N -1 3 375.444 3.102 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3C(=O)CCC3=O)c(C)c2)c(C)c1 ZINC000112624774 1412180197 /nfs/dbraw/zinc/18/01/97/1412180197.db2.gz YRGZICVBBCRMQM-UHFFFAOYSA-N -1 3 386.473 3.374 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1Cl ZINC000112905100 1412234857 /nfs/dbraw/zinc/23/48/57/1412234857.db2.gz PAEFIQWNBANHNN-UHFFFAOYSA-N -1 3 393.774 3.378 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c(=O)[n-]1 ZINC000113126693 1412266489 /nfs/dbraw/zinc/26/64/89/1412266489.db2.gz XEGATOCGRLFLFX-UHFFFAOYSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](C)c1ccccc1 ZINC000177222544 1428639071 /nfs/dbraw/zinc/63/90/71/1428639071.db2.gz YAMMKVNRSRFAQO-UONOGXRCSA-N -1 3 390.480 3.188 20 0 GGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(CCc3ccccc3)no2)ccc1F ZINC000113745027 1412339814 /nfs/dbraw/zinc/33/98/14/1412339814.db2.gz CMVCLOMTIDKJOV-UHFFFAOYSA-N -1 3 387.436 3.102 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(CCc3ccccc3)no2)ccc1F ZINC000113747521 1412339852 /nfs/dbraw/zinc/33/98/52/1412339852.db2.gz FNLRABTWYGSEON-UHFFFAOYSA-N -1 3 389.452 3.348 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c(=O)[n-]1 ZINC000113919826 1412352443 /nfs/dbraw/zinc/35/24/43/1412352443.db2.gz PHESAQLZGRKVAC-UHFFFAOYSA-N -1 3 389.761 3.162 20 0 GGADHM COc1ccc(C)cc1NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000114185427 1412389128 /nfs/dbraw/zinc/38/91/28/1412389128.db2.gz XBOHUERTMUBHCR-UHFFFAOYSA-N -1 3 378.428 3.386 20 0 GGADHM Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000114249280 1412397251 /nfs/dbraw/zinc/39/72/51/1412397251.db2.gz HEIGYUAYYSMCHX-UHFFFAOYSA-N -1 3 385.427 3.492 20 0 GGADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000115034838 1412573146 /nfs/dbraw/zinc/57/31/46/1412573146.db2.gz ZCLYCRFOZDOSPR-UHFFFAOYSA-N -1 3 383.462 3.018 20 0 GGADHM Cc1ccc(C[C@@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccccn2)cc1 ZINC000115252988 1412621038 /nfs/dbraw/zinc/62/10/38/1412621038.db2.gz IUSIUYCHOMKRFO-OAQYLSRUSA-N -1 3 390.487 3.123 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(-n4cccc4)ccc3F)cc21 ZINC000115312253 1412645347 /nfs/dbraw/zinc/64/53/47/1412645347.db2.gz RNMWNBOYQYDYOJ-UHFFFAOYSA-N -1 3 399.447 3.326 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3C[C@H](c4ccccc4)C[C@@H]3C)nc(=O)c2c1C ZINC000115556287 1412710441 /nfs/dbraw/zinc/71/04/41/1412710441.db2.gz MCPUUTXBFFBPGW-SWLSCSKDSA-N -1 3 397.500 3.458 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3ccccn3)c2)cc1 ZINC000115627100 1412738099 /nfs/dbraw/zinc/73/80/99/1412738099.db2.gz SMMWAFLWEFBSNG-UHFFFAOYSA-N -1 3 383.473 3.181 20 0 GGADHM CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(-c4ccco4)[n-]n3)ccc21 ZINC000115647036 1412744344 /nfs/dbraw/zinc/74/43/44/1412744344.db2.gz IDDDMYXMYQBFNT-GFCCVEGCSA-N -1 3 393.399 3.007 20 0 GGADHM CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(-c4ccco4)n[n-]3)ccc21 ZINC000115647036 1412744360 /nfs/dbraw/zinc/74/43/60/1412744360.db2.gz IDDDMYXMYQBFNT-GFCCVEGCSA-N -1 3 393.399 3.007 20 0 GGADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000115717715 1412773054 /nfs/dbraw/zinc/77/30/54/1412773054.db2.gz NTCKRCHDZHTQMB-UHFFFAOYSA-N -1 3 394.471 3.310 20 0 GGADHM Cc1nc(C)c(CC(=O)O[C@@H](c2ccc(Br)cc2)C2CC2)c(=O)[n-]1 ZINC000115922316 1412815420 /nfs/dbraw/zinc/81/54/20/1412815420.db2.gz ZYGNPPPFBHMLGC-QGZVFWFLSA-N -1 3 391.265 3.386 20 0 GGADHM Cc1nc(C)c(CC(=O)O[C@H](c2ccc(Br)cc2)C2CC2)c(=O)[n-]1 ZINC000115922319 1412815613 /nfs/dbraw/zinc/81/56/13/1412815613.db2.gz ZYGNPPPFBHMLGC-KRWDZBQOSA-N -1 3 391.265 3.386 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000116158002 1412837951 /nfs/dbraw/zinc/83/79/51/1412837951.db2.gz AIJFRHLMJGRSIY-UMGXQCJCSA-N -1 3 382.485 3.457 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(Cc4ccc(Cl)nc4)CC3)cc(=O)oc12 ZINC000116307814 1412848951 /nfs/dbraw/zinc/84/89/51/1412848951.db2.gz NPRCSZVHAITHJS-UHFFFAOYSA-N -1 3 399.878 3.173 20 0 GGADHM COCCOc1ccc(-n2nc(C)c(C(=O)[N-]c3c(F)cccc3F)n2)cc1 ZINC000116616828 1412887347 /nfs/dbraw/zinc/88/73/47/1412887347.db2.gz DKDRTMVAGHYTHO-UHFFFAOYSA-N -1 3 388.374 3.131 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c([O-])c1 ZINC000116652185 1412891658 /nfs/dbraw/zinc/89/16/58/1412891658.db2.gz SRPNBKWNMAJOHD-UHFFFAOYSA-N -1 3 397.475 3.444 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NCCc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000116651898 1412891689 /nfs/dbraw/zinc/89/16/89/1412891689.db2.gz GLNRQLAOVFLYCZ-UHFFFAOYSA-N -1 3 394.393 3.198 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c(=O)[n-]1 ZINC000116655595 1412892412 /nfs/dbraw/zinc/89/24/12/1412892412.db2.gz DFOAWQHVDTUYBF-SFHVURJKSA-N -1 3 381.501 3.481 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](Cc2ccccc2)c2cccs2)c(=O)[n-]1 ZINC000116655598 1412892419 /nfs/dbraw/zinc/89/24/19/1412892419.db2.gz DFOAWQHVDTUYBF-GOSISDBHSA-N -1 3 381.501 3.481 20 0 GGADHM COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000116711469 1412901504 /nfs/dbraw/zinc/90/15/04/1412901504.db2.gz XBMJAZGCWWEOKB-RUZDIDTESA-N -1 3 395.546 3.308 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c([O-])c1 ZINC000116774770 1412922447 /nfs/dbraw/zinc/92/24/47/1412922447.db2.gz GUGQKTNKOHUKFI-UHFFFAOYSA-N -1 3 398.850 3.298 20 0 GGADHM CCOC(=O)N(C)c1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000116774862 1412922933 /nfs/dbraw/zinc/92/29/33/1412922933.db2.gz KDNRIGCHGYBPEP-UHFFFAOYSA-N -1 3 399.447 3.052 20 0 GGADHM C[C@@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824553307 1428688038 /nfs/dbraw/zinc/68/80/38/1428688038.db2.gz BJLJOKPWUVPCQV-QRWLVFNGSA-N -1 3 390.491 3.053 20 0 GGADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000117228113 1413015031 /nfs/dbraw/zinc/01/50/31/1413015031.db2.gz NZYFZVJTZYQHPU-UHFFFAOYSA-N -1 3 386.477 3.391 20 0 GGADHM CC[C@@H]1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1 ZINC000117263694 1413021547 /nfs/dbraw/zinc/02/15/47/1413021547.db2.gz PUKQIYCFCJJPOQ-GFCCVEGCSA-N -1 3 386.464 3.058 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1 ZINC000117424071 1413035293 /nfs/dbraw/zinc/03/52/93/1413035293.db2.gz OWGQTZMVCVPLPU-QGZVFWFLSA-N -1 3 385.439 3.197 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(-n4ccnc4)c3)c2)n1 ZINC000117614214 1413056211 /nfs/dbraw/zinc/05/62/11/1413056211.db2.gz XORNRWHEUBEOIK-UHFFFAOYSA-N -1 3 385.427 3.437 20 0 GGADHM CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000117952811 1413092460 /nfs/dbraw/zinc/09/24/60/1413092460.db2.gz ZPSCAVXDXQOCPT-SFHVURJKSA-N -1 3 378.432 3.005 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000117987785 1413095223 /nfs/dbraw/zinc/09/52/23/1413095223.db2.gz GXGZGICYMOTSHO-HXUWFJFHSA-N -1 3 395.503 3.250 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000118161359 1413117731 /nfs/dbraw/zinc/11/77/31/1413117731.db2.gz VZPDNLYHZUYNRG-UHFFFAOYSA-N -1 3 388.424 3.161 20 0 GGADHM CC1CCN(C(=O)c2ccccc2NC(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000118317565 1413148470 /nfs/dbraw/zinc/14/84/70/1413148470.db2.gz PIQGVZUCICNGBK-UHFFFAOYSA-N -1 3 390.443 3.048 20 0 GGADHM CC1CCN(C(=O)c2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc2)CC1 ZINC000118318299 1413149828 /nfs/dbraw/zinc/14/98/28/1413149828.db2.gz KLUNVZYKUVNLPS-UHFFFAOYSA-N -1 3 390.443 3.048 20 0 GGADHM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1nnc2ccccc2c1[O-] ZINC000118325637 1413150386 /nfs/dbraw/zinc/15/03/86/1413150386.db2.gz LIQNMQHAHLWPFX-UHFFFAOYSA-N -1 3 396.834 3.065 20 0 GGADHM O=C(Nc1ccccc1)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118322664 1413150695 /nfs/dbraw/zinc/15/06/95/1413150695.db2.gz WVKHSSOKCDTFTP-UHFFFAOYSA-N -1 3 384.395 3.428 20 0 GGADHM CCOc1ccc(Br)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118329757 1413151098 /nfs/dbraw/zinc/15/10/98/1413151098.db2.gz BMFDXNNJNPRHRP-UHFFFAOYSA-N -1 3 388.221 3.337 20 0 GGADHM O=C(Nc1ccccc1NC(=O)c1nnc2ccccc2c1[O-])c1cccs1 ZINC000118327238 1413151488 /nfs/dbraw/zinc/15/14/88/1413151488.db2.gz QLNPAELQAWUWGM-UHFFFAOYSA-N -1 3 390.424 3.489 20 0 GGADHM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000118343980 1413153029 /nfs/dbraw/zinc/15/30/29/1413153029.db2.gz ZETSWFXKCNIOTO-UHFFFAOYSA-N -1 3 381.285 3.256 20 0 GGADHM C[C@@H]1CN(CC2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)C[C@H](C)O1 ZINC000118784930 1413220684 /nfs/dbraw/zinc/22/06/84/1413220684.db2.gz SPVPEPNPVFTSNP-OKILXGFUSA-N -1 3 389.521 3.078 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)no1 ZINC000177391114 1428715410 /nfs/dbraw/zinc/71/54/10/1428715410.db2.gz OUMWDSCINPPOHP-UHFFFAOYSA-N -1 3 393.443 3.439 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1F ZINC000177393383 1428716532 /nfs/dbraw/zinc/71/65/32/1428716532.db2.gz NUGDBHGUBHXCHS-UHFFFAOYSA-N -1 3 378.469 3.129 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCc2c1cccc2Cl ZINC000119043129 1413314672 /nfs/dbraw/zinc/31/46/72/1413314672.db2.gz DEYAMAAWCYYBNV-UHFFFAOYSA-N -1 3 394.862 3.316 20 0 GGADHM O=C(NC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1)C1CC1 ZINC000177397534 1428717947 /nfs/dbraw/zinc/71/79/47/1428717947.db2.gz VPDOBKOXXVJKGK-UHFFFAOYSA-N -1 3 380.444 3.315 20 0 GGADHM O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000119072103 1413325675 /nfs/dbraw/zinc/32/56/75/1413325675.db2.gz YTUYUNRPIURYTA-FQEVSTJZSA-N -1 3 397.450 3.076 20 0 GGADHM O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000119072003 1413325888 /nfs/dbraw/zinc/32/58/88/1413325888.db2.gz YTUYUNRPIURYTA-HXUWFJFHSA-N -1 3 397.450 3.076 20 0 GGADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc([C@H]3CCOC3)no2)c1 ZINC000119073870 1413326521 /nfs/dbraw/zinc/32/65/21/1413326521.db2.gz ZAXKTGHXBHHLLW-ZDUSSCGKSA-N -1 3 389.408 3.180 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3)c2)oc1C ZINC000119126491 1413346831 /nfs/dbraw/zinc/34/68/31/1413346831.db2.gz HZQLUCNYGUEHRZ-ZDUSSCGKSA-N -1 3 392.477 3.014 20 0 GGADHM COC(=O)C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(C(F)(F)F)cc1 ZINC000119131166 1413350264 /nfs/dbraw/zinc/35/02/64/1413350264.db2.gz LHKCUUVSBPRGJB-CQSZACIVSA-N -1 3 392.337 3.011 20 0 GGADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177408822 1428723395 /nfs/dbraw/zinc/72/33/95/1428723395.db2.gz VITWYDXXHYKZHZ-HNNXBMFYSA-N -1 3 394.349 3.078 20 0 GGADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000119155440 1413358405 /nfs/dbraw/zinc/35/84/05/1413358405.db2.gz KDPDZQZPKOFORR-GOSISDBHSA-N -1 3 391.814 3.138 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N1CCc3[nH]c4ccc(Cl)cc4c3C1)c2[O-] ZINC000119161889 1413360647 /nfs/dbraw/zinc/36/06/47/1413360647.db2.gz HXGBINMNZPNOQV-UHFFFAOYSA-N -1 3 381.823 3.007 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCc2c1cccc2Cl ZINC000119165234 1413361290 /nfs/dbraw/zinc/36/12/90/1413361290.db2.gz PALRHRQEKYHXSX-UHFFFAOYSA-N -1 3 394.862 3.316 20 0 GGADHM O=C(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000119181338 1413367923 /nfs/dbraw/zinc/36/79/23/1413367923.db2.gz IGEXFKACDKYUGQ-AWEZNQCLSA-N -1 3 380.301 3.188 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc3oc(C(F)(F)F)nc3c1)c2[O-] ZINC000119181842 1413368502 /nfs/dbraw/zinc/36/85/02/1413368502.db2.gz JXUHUHYGAIOZPU-UHFFFAOYSA-N -1 3 377.282 3.086 20 0 GGADHM O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000119210223 1413376391 /nfs/dbraw/zinc/37/63/91/1413376391.db2.gz NQSNPPOJOQTRJY-AWEZNQCLSA-N -1 3 380.301 3.188 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c(C)o1 ZINC000119214008 1413377225 /nfs/dbraw/zinc/37/72/25/1413377225.db2.gz DCSUKFJIYMZWSY-OXJNMPFZSA-N -1 3 388.489 3.038 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1nnc(-c3cccc(Cl)c3)s1)c2[O-] ZINC000119212634 1413377388 /nfs/dbraw/zinc/37/73/88/1413377388.db2.gz IOBNMPGLQRAIFG-UHFFFAOYSA-N -1 3 386.824 3.098 20 0 GGADHM Cc1ccc(C(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000119218720 1413378787 /nfs/dbraw/zinc/37/87/87/1413378787.db2.gz XJFYULWXZZQVIN-OAHLLOKOSA-N -1 3 376.338 3.357 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1nnc(C(C)(C)c3ccccc3)s1)c2[O-] ZINC000119229437 1413382251 /nfs/dbraw/zinc/38/22/51/1413382251.db2.gz VGOCZUHCGARSKX-UHFFFAOYSA-N -1 3 394.460 3.104 20 0 GGADHM COc1ccc(C(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000119231454 1413383465 /nfs/dbraw/zinc/38/34/65/1413383465.db2.gz IJXPJWUCNCARLF-HNNXBMFYSA-N -1 3 392.337 3.057 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1F ZINC000177408097 1428722602 /nfs/dbraw/zinc/72/26/02/1428722602.db2.gz LJXWALOJLCSIDH-UHFFFAOYSA-N -1 3 390.358 3.313 20 0 GGADHM O=C(Nc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000119264740 1413393846 /nfs/dbraw/zinc/39/38/46/1413393846.db2.gz IYQHXRVJRLZAEE-UHFFFAOYSA-N -1 3 390.428 3.433 20 0 GGADHM O=C(Nc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000119264740 1413393851 /nfs/dbraw/zinc/39/38/51/1413393851.db2.gz IYQHXRVJRLZAEE-UHFFFAOYSA-N -1 3 390.428 3.433 20 0 GGADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000119297159 1413403077 /nfs/dbraw/zinc/40/30/77/1413403077.db2.gz OUWGSANFXBUBJB-UHFFFAOYSA-N -1 3 390.443 3.460 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000119340782 1413417104 /nfs/dbraw/zinc/41/71/04/1413417104.db2.gz HPGNJVDZBKSQRJ-UHFFFAOYSA-N -1 3 389.887 3.138 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000119363834 1413424656 /nfs/dbraw/zinc/42/46/56/1413424656.db2.gz LTSXQFWKRZTLNW-UHFFFAOYSA-N -1 3 396.878 3.189 20 0 GGADHM COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000119413252 1413439003 /nfs/dbraw/zinc/43/90/03/1413439003.db2.gz BIWVPQKSPNQOAH-UHFFFAOYSA-N -1 3 380.441 3.163 20 0 GGADHM O=C(CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[N-]OCc1ccccc1 ZINC000119416063 1413440421 /nfs/dbraw/zinc/44/04/21/1413440421.db2.gz SVSZHRVDLRWMJA-OAQYLSRUSA-N -1 3 388.895 3.333 20 0 GGADHM O=C(CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[N-]OCc1ccccc1 ZINC000119416161 1413440553 /nfs/dbraw/zinc/44/05/53/1413440553.db2.gz SVSZHRVDLRWMJA-NRFANRHFSA-N -1 3 388.895 3.333 20 0 GGADHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000119477129 1413460445 /nfs/dbraw/zinc/46/04/45/1413460445.db2.gz LESFIJKXWDIACB-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000119490288 1413464612 /nfs/dbraw/zinc/46/46/12/1413464612.db2.gz LCQSHILKJBQNEJ-UHFFFAOYSA-N -1 3 384.244 3.222 20 0 GGADHM CC(C)(C)c1nc2cc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)ccc2o1 ZINC000119551366 1413482844 /nfs/dbraw/zinc/48/28/44/1413482844.db2.gz SUSVOEBAXSGJLU-UHFFFAOYSA-N -1 3 396.447 3.382 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000119602179 1413500097 /nfs/dbraw/zinc/50/00/97/1413500097.db2.gz RJPXDOJOFMAWOS-QGZVFWFLSA-N -1 3 398.528 3.246 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000119604056 1413500701 /nfs/dbraw/zinc/50/07/01/1413500701.db2.gz VNFJGFKULMDPDO-QGZVFWFLSA-N -1 3 398.528 3.246 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000119612869 1413503336 /nfs/dbraw/zinc/50/33/36/1413503336.db2.gz RBPWBRCTMLGPKR-UHFFFAOYSA-N -1 3 390.308 3.440 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)ccc1F ZINC000177430407 1428733849 /nfs/dbraw/zinc/73/38/49/1428733849.db2.gz VXUAVWGEKBVLLO-MRXNPFEDSA-N -1 3 396.871 3.365 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)ccc1F ZINC000177430422 1428734092 /nfs/dbraw/zinc/73/40/92/1428734092.db2.gz VXUAVWGEKBVLLO-INIZCTEOSA-N -1 3 396.871 3.365 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2Cl)ccc1F ZINC000177431977 1428734909 /nfs/dbraw/zinc/73/49/09/1428734909.db2.gz KGKJEOUCJSDLAE-LLVKDONJSA-N -1 3 384.860 3.220 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3ccccc3Br)C2)n1 ZINC000119728534 1413547674 /nfs/dbraw/zinc/54/76/74/1413547674.db2.gz IHYSFSNOCHHGHZ-OAHLLOKOSA-N -1 3 378.270 3.081 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000119737492 1413550680 /nfs/dbraw/zinc/55/06/80/1413550680.db2.gz PEZQLOOBJFQJSV-AWEZNQCLSA-N -1 3 383.427 3.313 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2)ccc1F ZINC000177435224 1428736276 /nfs/dbraw/zinc/73/62/76/1428736276.db2.gz IUEKKXBOQHTTMQ-KRWDZBQOSA-N -1 3 376.453 3.020 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1F ZINC000119778195 1413565491 /nfs/dbraw/zinc/56/54/91/1413565491.db2.gz MUOBQOPXMRPXOR-HNNXBMFYSA-N -1 3 396.242 3.458 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c(=O)[n-]1 ZINC000119802596 1413574776 /nfs/dbraw/zinc/57/47/76/1413574776.db2.gz ACNFMQKBTCLSNW-GFCCVEGCSA-N -1 3 387.455 3.125 20 0 GGADHM C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736130618 1428738512 /nfs/dbraw/zinc/73/85/12/1428738512.db2.gz HUNTTXMXIBAPIS-DJJJIMSYSA-N -1 3 394.454 3.464 20 0 GGADHM C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736130618 1428738515 /nfs/dbraw/zinc/73/85/15/1428738515.db2.gz HUNTTXMXIBAPIS-DJJJIMSYSA-N -1 3 394.454 3.464 20 0 GGADHM O=C(c1ccc(-c2ccccc2F)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000119836733 1413587596 /nfs/dbraw/zinc/58/75/96/1413587596.db2.gz SNSQAPDTFLKJSO-UHFFFAOYSA-N -1 3 394.402 3.390 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000119949885 1413629322 /nfs/dbraw/zinc/62/93/22/1413629322.db2.gz RMIOWXRZHFEIRL-UHFFFAOYSA-N -1 3 382.338 3.123 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(=O)[n-]1 ZINC000119978534 1413639427 /nfs/dbraw/zinc/63/94/27/1413639427.db2.gz NKHHLUORUPSBMC-UHFFFAOYSA-N -1 3 396.472 3.272 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177453615 1428743079 /nfs/dbraw/zinc/74/30/79/1428743079.db2.gz PHPBJZPDGZAAMY-MRXNPFEDSA-N -1 3 394.468 3.014 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000120045080 1413665990 /nfs/dbraw/zinc/66/59/90/1413665990.db2.gz VINNRRHAKFSIOK-INIZCTEOSA-N -1 3 387.860 3.278 20 0 GGADHM Cc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1-c1ccccc1F ZINC000120116311 1413694011 /nfs/dbraw/zinc/69/40/11/1413694011.db2.gz WAZMKIKMKNGHKH-UHFFFAOYSA-N -1 3 396.422 3.092 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000120132600 1413701047 /nfs/dbraw/zinc/70/10/47/1413701047.db2.gz BODBOPPPRUKZNQ-RTBURBONSA-N -1 3 384.863 3.134 20 0 GGADHM CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000120134174 1413701656 /nfs/dbraw/zinc/70/16/56/1413701656.db2.gz QJMXKVNFJXPIBY-MRXNPFEDSA-N -1 3 387.860 3.278 20 0 GGADHM CC(C)(C)N(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccc(F)cc1 ZINC000824094396 1428748005 /nfs/dbraw/zinc/74/80/05/1428748005.db2.gz SWTSYQOPXVEFPL-UHFFFAOYSA-N -1 3 379.443 3.454 20 0 GGADHM CC(C)(C)N(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(F)cc1 ZINC000824094396 1428748009 /nfs/dbraw/zinc/74/80/09/1428748009.db2.gz SWTSYQOPXVEFPL-UHFFFAOYSA-N -1 3 379.443 3.454 20 0 GGADHM CCC1CCC(N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)C2CC2)CC1 ZINC000177464650 1428748777 /nfs/dbraw/zinc/74/87/77/1428748777.db2.gz NUBQRSSZMNJMQL-UHFFFAOYSA-N -1 3 382.501 3.307 20 0 GGADHM CCCc1n[n-]c(=S)n1CC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120219393 1413736630 /nfs/dbraw/zinc/73/66/30/1413736630.db2.gz ISXVDOOOLCWJJG-CQSZACIVSA-N -1 3 398.536 3.484 20 0 GGADHM CCCc1n[n-]c(=S)n1CC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120219207 1413736691 /nfs/dbraw/zinc/73/66/91/1413736691.db2.gz ISXVDOOOLCWJJG-AWEZNQCLSA-N -1 3 398.536 3.484 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000120310955 1413779495 /nfs/dbraw/zinc/77/94/95/1413779495.db2.gz AMKGSSTZYWAGFA-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM Cc1nccn1-c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cn1 ZINC000120366850 1413803320 /nfs/dbraw/zinc/80/33/20/1413803320.db2.gz RAORKSOLULHQNN-UHFFFAOYSA-N -1 3 377.379 3.117 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3C)CC2)ccc1F ZINC000177466952 1428750912 /nfs/dbraw/zinc/75/09/12/1428750912.db2.gz QGPIMTFNLUQIKS-UHFFFAOYSA-N -1 3 390.480 3.062 20 0 GGADHM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000120508834 1413832820 /nfs/dbraw/zinc/83/28/20/1413832820.db2.gz JHYFYHKUMDESTP-BLVKFPJESA-N -1 3 381.480 3.099 20 0 GGADHM CC(C)COc1ccc(C(C)(C)C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000120606208 1413853471 /nfs/dbraw/zinc/85/34/71/1413853471.db2.gz KITVABVPJAWDPR-UHFFFAOYSA-N -1 3 398.503 3.251 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000120685055 1413874401 /nfs/dbraw/zinc/87/44/01/1413874401.db2.gz NGYYKXYZYFAYRX-UHFFFAOYSA-N -1 3 376.388 3.087 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NN3CCCCC3)c2)cc1 ZINC000120710357 1413881460 /nfs/dbraw/zinc/88/14/60/1413881460.db2.gz SWYNCDAIEYJLHU-UHFFFAOYSA-N -1 3 387.505 3.235 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(F)cc1 ZINC000120942610 1413954843 /nfs/dbraw/zinc/95/48/43/1413954843.db2.gz OOOONEMSSAGKMJ-UHFFFAOYSA-N -1 3 382.432 3.318 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nnc(C(C)C)[nH]3)c2)c1 ZINC000120947508 1413956809 /nfs/dbraw/zinc/95/68/09/1413956809.db2.gz QKXDQPFDLNOBMJ-UHFFFAOYSA-N -1 3 399.476 3.290 20 0 GGADHM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000120962187 1413960422 /nfs/dbraw/zinc/96/04/22/1413960422.db2.gz YFFLEDXGIRGBFL-SFHVURJKSA-N -1 3 376.840 3.204 20 0 GGADHM CCc1cc2c(CN3CCN(c4cccc(O)c4)CC3)cc(=O)oc2cc1[O-] ZINC000120965176 1413962149 /nfs/dbraw/zinc/96/21/49/1413962149.db2.gz DHJYDOSNIDGVKR-UHFFFAOYSA-N -1 3 380.444 3.089 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2C)ccc1F ZINC000177496779 1428769368 /nfs/dbraw/zinc/76/93/68/1428769368.db2.gz PGBOGKMXMYEAQD-SFHVURJKSA-N -1 3 390.480 3.328 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000120994615 1413971566 /nfs/dbraw/zinc/97/15/66/1413971566.db2.gz LNILUPKUTBEAIT-UHFFFAOYSA-N -1 3 389.383 3.049 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000121006336 1413974742 /nfs/dbraw/zinc/97/47/42/1413974742.db2.gz KHTARNGURYDRPS-UHFFFAOYSA-N -1 3 390.720 3.458 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)c2)oc1C ZINC000121010038 1413976118 /nfs/dbraw/zinc/97/61/18/1413976118.db2.gz CNCDRBZTLXLYGT-UHFFFAOYSA-N -1 3 383.379 3.058 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1COc1ccccc1 ZINC000121015541 1413977359 /nfs/dbraw/zinc/97/73/59/1413977359.db2.gz OVBVGMLKHBEURK-UHFFFAOYSA-N -1 3 394.402 3.365 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1Cl ZINC000121052470 1413989846 /nfs/dbraw/zinc/98/98/46/1413989846.db2.gz XHVBHQNHPBPMAA-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccsc1 ZINC000121113821 1414012484 /nfs/dbraw/zinc/01/24/84/1414012484.db2.gz QUBUFFNCNHXSQH-AWEZNQCLSA-N -1 3 380.318 3.382 20 0 GGADHM Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)n1 ZINC000121126672 1414016957 /nfs/dbraw/zinc/01/69/57/1414016957.db2.gz IZSKLMOTTHZCLI-UHFFFAOYSA-N -1 3 393.484 3.475 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1-n1cnnn1 ZINC000121224767 1414049293 /nfs/dbraw/zinc/04/92/93/1414049293.db2.gz LCJVBVOIEAYABF-UHFFFAOYSA-N -1 3 399.476 3.093 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccccn1 ZINC000121233274 1414052870 /nfs/dbraw/zinc/05/28/70/1414052870.db2.gz NLLXSFURASMIDK-IBGZPJMESA-N -1 3 390.411 3.436 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccccn1 ZINC000121233414 1414052915 /nfs/dbraw/zinc/05/29/15/1414052915.db2.gz NLLXSFURASMIDK-LJQANCHMSA-N -1 3 390.411 3.436 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)ccc1OC(C)C ZINC000121273061 1414067179 /nfs/dbraw/zinc/06/71/79/1414067179.db2.gz JRTVQILYHOLZEN-UHFFFAOYSA-N -1 3 386.477 3.379 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)c2)o1 ZINC000121384492 1414103273 /nfs/dbraw/zinc/10/32/73/1414103273.db2.gz QELSMYLTBVLZNR-UHFFFAOYSA-N -1 3 388.383 3.323 20 0 GGADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)cc1 ZINC000121428184 1414118447 /nfs/dbraw/zinc/11/84/47/1414118447.db2.gz PGICKQXFQUIJNM-UHFFFAOYSA-N -1 3 390.505 3.330 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c(=O)[n-]1 ZINC000121517453 1414159161 /nfs/dbraw/zinc/15/91/61/1414159161.db2.gz RFHRJTVPZYZMTH-SNVBAGLBSA-N -1 3 383.370 3.095 20 0 GGADHM O=C1CCCN1Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000121688080 1414224415 /nfs/dbraw/zinc/22/44/15/1414224415.db2.gz ZJOPCDPAAXUNAL-UHFFFAOYSA-N -1 3 384.501 3.489 20 0 GGADHM O=C(NCCc1csc(-c2ccccc2)n1)c1nnc2ccccc2c1[O-] ZINC000177552005 1428790642 /nfs/dbraw/zinc/79/06/42/1428790642.db2.gz UGQPYGBVIPKFMO-UHFFFAOYSA-N -1 3 376.441 3.019 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)CCCCCNC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000121691498 1414225619 /nfs/dbraw/zinc/22/56/19/1414225619.db2.gz MFEHSCVIPKYQLQ-UHFFFAOYSA-N -1 3 377.445 3.397 20 0 GGADHM Cc1sc2ncn([N-]C(=O)c3cnc(OC(C)C)c(Cl)c3)c(=O)c2c1C ZINC000121705725 1414230317 /nfs/dbraw/zinc/23/03/17/1414230317.db2.gz PKIMFPBKIZOOFJ-UHFFFAOYSA-N -1 3 392.868 3.294 20 0 GGADHM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000121821769 1414268999 /nfs/dbraw/zinc/26/89/99/1414268999.db2.gz RUIQXHSCHFDTMC-UHFFFAOYSA-N -1 3 396.468 3.094 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc(F)c1F ZINC000121823652 1414269573 /nfs/dbraw/zinc/26/95/73/1414269573.db2.gz KAZRURFEAAQHBK-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2nccn2C)c2cccc(F)c2)cc1F ZINC000121866654 1414284388 /nfs/dbraw/zinc/28/43/88/1414284388.db2.gz RAPHYMODSMQDDM-KRWDZBQOSA-N -1 3 395.406 3.214 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2nccn2C)c2cccc(F)c2)cc1F ZINC000121866812 1414284508 /nfs/dbraw/zinc/28/45/08/1414284508.db2.gz RAPHYMODSMQDDM-QGZVFWFLSA-N -1 3 395.406 3.214 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCOC4=O)cc3)c[n-]c12 ZINC000121868857 1414285054 /nfs/dbraw/zinc/28/50/54/1414285054.db2.gz YPSVEYWRWRPQSE-UHFFFAOYSA-N -1 3 381.363 3.185 20 0 GGADHM C[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])Cc2ccccc2C(=O)O1 ZINC000121873319 1414286270 /nfs/dbraw/zinc/28/62/70/1414286270.db2.gz NZGVDCFTINAAPF-KRWDZBQOSA-N -1 3 376.206 3.265 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000121883573 1414290352 /nfs/dbraw/zinc/29/03/52/1414290352.db2.gz LDTPREJHSCIMAE-IYBDPMFKSA-N -1 3 390.505 3.418 20 0 GGADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000121912929 1414304696 /nfs/dbraw/zinc/30/46/96/1414304696.db2.gz YHWVFJFJAPDRDR-HNNXBMFYSA-N -1 3 378.277 3.389 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)cc1F ZINC000121916740 1414306226 /nfs/dbraw/zinc/30/62/26/1414306226.db2.gz WXDCJVDWZILAGZ-UHFFFAOYSA-N -1 3 381.444 3.300 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1F ZINC000121950007 1414319604 /nfs/dbraw/zinc/31/96/04/1414319604.db2.gz BFBUFRBCLRDHEF-NSHDSACASA-N -1 3 380.416 3.197 20 0 GGADHM Cc1cc(C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)c(C)n1CC(F)(F)F ZINC000177580867 1428802087 /nfs/dbraw/zinc/80/20/87/1428802087.db2.gz VPRYKSULMVYGAW-UHFFFAOYSA-N -1 3 382.382 3.449 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)n(-c2ccc(Cl)cc2)n1 ZINC000122115941 1414365721 /nfs/dbraw/zinc/36/57/21/1414365721.db2.gz KBUSEVGDEPQNHX-UHFFFAOYSA-N -1 3 385.855 3.106 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000177582195 1428802716 /nfs/dbraw/zinc/80/27/16/1428802716.db2.gz XJTSMRRXTIYJCC-UHFFFAOYSA-N -1 3 395.228 3.126 20 0 GGADHM CCc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000122219228 1414391993 /nfs/dbraw/zinc/39/19/93/1414391993.db2.gz QUYDEVYQVADYLE-UHFFFAOYSA-N -1 3 376.840 3.327 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2sccc2C#N)c1 ZINC000122236563 1414396561 /nfs/dbraw/zinc/39/65/61/1414396561.db2.gz GUUXKEUVMNGNKC-UHFFFAOYSA-N -1 3 381.454 3.040 20 0 GGADHM CCCNC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000122271935 1414407390 /nfs/dbraw/zinc/40/73/90/1414407390.db2.gz ZVVOQNFDDAGBGJ-WJDWOHSUSA-N -1 3 383.835 3.203 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000122408013 1414449428 /nfs/dbraw/zinc/44/94/28/1414449428.db2.gz NIIHNAGBTKXXRL-OAHLLOKOSA-N -1 3 397.870 3.079 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 ZINC000122418681 1414454272 /nfs/dbraw/zinc/45/42/72/1414454272.db2.gz SMAURKKFEGQWPD-UHFFFAOYSA-N -1 3 382.460 3.420 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000177614363 1428811192 /nfs/dbraw/zinc/81/11/92/1428811192.db2.gz SRIWYOZYJOLWKI-OAQYLSRUSA-N -1 3 389.499 3.462 20 0 GGADHM CCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000122501981 1414483988 /nfs/dbraw/zinc/48/39/88/1414483988.db2.gz LBLYCOLLEMTQBE-UHFFFAOYSA-N -1 3 392.452 3.308 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)c(C)o1 ZINC000122522896 1414489324 /nfs/dbraw/zinc/48/93/24/1414489324.db2.gz GIMVWPUSOWBLBY-QGZVFWFLSA-N -1 3 376.478 3.090 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000122665108 1414532854 /nfs/dbraw/zinc/53/28/54/1414532854.db2.gz UAJMPJZMSLCADY-UHFFFAOYSA-N -1 3 380.423 3.087 20 0 GGADHM O=C(CCCc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000122689800 1414539052 /nfs/dbraw/zinc/53/90/52/1414539052.db2.gz JCJOPJHLIAWKIK-UHFFFAOYSA-N -1 3 386.879 3.353 20 0 GGADHM O=C(C=Cc1ccccc1OC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000122704836 1414543694 /nfs/dbraw/zinc/54/36/94/1414543694.db2.gz BNMAIIJGFVDWFK-CMDGGOBGSA-N -1 3 375.310 3.417 20 0 GGADHM O=C(C=Cc1ccccc1OC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000122704836 1414543701 /nfs/dbraw/zinc/54/37/01/1414543701.db2.gz BNMAIIJGFVDWFK-CMDGGOBGSA-N -1 3 375.310 3.417 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000122759371 1414557472 /nfs/dbraw/zinc/55/74/72/1414557472.db2.gz XMTJWGPHRPGZEO-UHFFFAOYSA-N -1 3 388.727 3.194 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1C[C@H](C)[C@H](C)C1 ZINC000820743785 1428818791 /nfs/dbraw/zinc/81/87/91/1428818791.db2.gz VREVEFGPWLGWQQ-XQQFMLRXSA-N -1 3 388.541 3.112 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1C[C@H](C)[C@H](C)C1 ZINC000820743785 1428818796 /nfs/dbraw/zinc/81/87/96/1428818796.db2.gz VREVEFGPWLGWQQ-XQQFMLRXSA-N -1 3 388.541 3.112 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)cc1F ZINC000122817418 1414572399 /nfs/dbraw/zinc/57/23/99/1414572399.db2.gz KSODZMPGPKQISR-LLVKDONJSA-N -1 3 379.388 3.363 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccnn2C)cc1 ZINC000122819802 1414573353 /nfs/dbraw/zinc/57/33/53/1414573353.db2.gz MPPGNKXEZUHVRD-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c(C)o1 ZINC000177651263 1428822760 /nfs/dbraw/zinc/82/27/60/1428822760.db2.gz QHNCFTCXWQILPF-UHFFFAOYSA-N -1 3 390.505 3.424 20 0 GGADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OCC(C)C)C2)c2ccccc12 ZINC000123060917 1414630881 /nfs/dbraw/zinc/63/08/81/1414630881.db2.gz MOHWLRSARBUNMK-MRXNPFEDSA-N -1 3 384.476 3.404 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)sc1Br ZINC000123175990 1414660621 /nfs/dbraw/zinc/66/06/21/1414660621.db2.gz SBGYUDSSSICQAG-GFCCVEGCSA-N -1 3 390.324 3.221 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000123239654 1414675996 /nfs/dbraw/zinc/67/59/96/1414675996.db2.gz GCJUBMSENQLQHI-UHFFFAOYSA-N -1 3 384.404 3.187 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3cnccn3)n2Cc2ccco2)n1 ZINC000123253427 1414679266 /nfs/dbraw/zinc/67/92/66/1414679266.db2.gz GJULKGRAQDHEFG-LBPRGKRZSA-N -1 3 395.448 3.034 20 0 GGADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc2[nH]1 ZINC000123268232 1414683001 /nfs/dbraw/zinc/68/30/01/1414683001.db2.gz ZEOBYADPFLRNKC-UHFFFAOYSA-N -1 3 385.445 3.377 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2ccc(OCc3ccccc3)cc2)c(=O)[n-]1 ZINC000123287714 1414688498 /nfs/dbraw/zinc/68/84/98/1414688498.db2.gz RMIDOBGVMOVJAC-UHFFFAOYSA-N -1 3 391.471 3.215 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000123405501 1414720002 /nfs/dbraw/zinc/72/00/02/1414720002.db2.gz WRAJNBPNPCGGED-UHFFFAOYSA-N -1 3 382.460 3.298 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000177675460 1428830763 /nfs/dbraw/zinc/83/07/63/1428830763.db2.gz VHZDDXJCASXZGI-UHFFFAOYSA-N -1 3 375.780 3.435 20 0 GGADHM CCc1oc2ccccc2c1CN(C)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000177676584 1428831217 /nfs/dbraw/zinc/83/12/17/1428831217.db2.gz BVXIEYKBQUOJDN-UHFFFAOYSA-N -1 3 390.461 3.077 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3CC(C)C)nc(=O)c2c1C ZINC000123500803 1414752767 /nfs/dbraw/zinc/75/27/67/1414752767.db2.gz KULKMFSDHSSTBO-CYBMUJFWSA-N -1 3 377.510 3.480 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)c1F ZINC000177692043 1428834301 /nfs/dbraw/zinc/83/43/01/1428834301.db2.gz NTISANGVFABSKE-LBPRGKRZSA-N -1 3 383.416 3.051 20 0 GGADHM O=c1[n-]c(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)nc2c3ccccc3oc21 ZINC000123857958 1414836850 /nfs/dbraw/zinc/83/68/50/1414836850.db2.gz NLTKPOWDXRGTCA-ZIAGYGMSSA-N -1 3 385.489 3.156 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)s2)c1F ZINC000177716323 1428841263 /nfs/dbraw/zinc/84/12/63/1428841263.db2.gz GFOKHCHFKSBRAJ-VIFPVBQESA-N -1 3 389.445 3.031 20 0 GGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000123907132 1414847252 /nfs/dbraw/zinc/84/72/52/1414847252.db2.gz FPKUTECIQQDDHK-BONVTDFDSA-N -1 3 375.824 3.409 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000123907869 1414847283 /nfs/dbraw/zinc/84/72/83/1414847283.db2.gz FPKUTECIQQDDHK-MEBBXXQBSA-N -1 3 375.824 3.409 20 0 GGADHM Cc1ccc(C)c(SCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000123942716 1414854244 /nfs/dbraw/zinc/85/42/44/1414854244.db2.gz UQJYHCVVQGQMAS-UHFFFAOYSA-N -1 3 384.501 3.086 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c(=O)[n-]1 ZINC000124027637 1414872075 /nfs/dbraw/zinc/87/20/75/1414872075.db2.gz IAEJUBWKBAFYBZ-UHFFFAOYSA-N -1 3 395.381 3.197 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(-c4nccn4C)cs3)c[n-]c12 ZINC000124027869 1414872083 /nfs/dbraw/zinc/87/20/83/1414872083.db2.gz SKRMEUMIYBAISE-UHFFFAOYSA-N -1 3 383.408 3.085 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H](O)c1ccccc1F ZINC000124055391 1414877518 /nfs/dbraw/zinc/87/75/18/1414877518.db2.gz NILXNGHWSRLBAG-HOCLYGCPSA-N -1 3 375.824 3.409 20 0 GGADHM O=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124088784 1414883243 /nfs/dbraw/zinc/88/32/43/1414883243.db2.gz XYTLZTRNDLPXDU-UHFFFAOYSA-N -1 3 379.460 3.261 20 0 GGADHM CCN1CCN(Cc2ccccc2CNC(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000124219773 1414911898 /nfs/dbraw/zinc/91/18/98/1414911898.db2.gz IFPLAJZZLKDJCB-UHFFFAOYSA-N -1 3 387.911 3.113 20 0 GGADHM CCc1nc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)sc1C(=O)OC ZINC000124262010 1414923838 /nfs/dbraw/zinc/92/38/38/1414923838.db2.gz HCNCVLXNCSBPOT-UHFFFAOYSA-N -1 3 389.408 3.033 20 0 GGADHM CCOCCO[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000124507314 1414983790 /nfs/dbraw/zinc/98/37/90/1414983790.db2.gz VRBFZLYWCKNYKD-FQEVSTJZSA-N -1 3 383.488 3.445 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000124553899 1414992322 /nfs/dbraw/zinc/99/23/22/1414992322.db2.gz ZEVVDOVGJKIRRH-CQSZACIVSA-N -1 3 388.414 3.149 20 0 GGADHM CC[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(OC)cc1 ZINC000124558862 1414993488 /nfs/dbraw/zinc/99/34/88/1414993488.db2.gz FPLYMFDYMDSDJD-QGZVFWFLSA-N -1 3 396.487 3.269 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nnc(-c4ccccn4)n3C)cc(=O)oc12 ZINC000124640892 1415011453 /nfs/dbraw/zinc/01/14/53/1415011453.db2.gz GCARTHDKVFNBKT-UHFFFAOYSA-N -1 3 380.429 3.290 20 0 GGADHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000124715408 1415028247 /nfs/dbraw/zinc/02/82/47/1415028247.db2.gz SMPPRYZBYPRNFP-DGCLKSJQSA-N -1 3 389.304 3.221 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824528488 1428860838 /nfs/dbraw/zinc/86/08/38/1428860838.db2.gz AIYZZCKRSFTPFU-HZPDHXFCSA-N -1 3 392.507 3.440 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824528488 1428860843 /nfs/dbraw/zinc/86/08/43/1428860843.db2.gz AIYZZCKRSFTPFU-HZPDHXFCSA-N -1 3 392.507 3.440 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000125012304 1415091948 /nfs/dbraw/zinc/09/19/48/1415091948.db2.gz BYFPWDXRYPRBQZ-UHFFFAOYSA-N -1 3 393.484 3.125 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2)c1nc(C2CC2)no1 ZINC000125031375 1415095081 /nfs/dbraw/zinc/09/50/81/1415095081.db2.gz SKOOTXONFRHDBK-QGZVFWFLSA-N -1 3 390.509 3.005 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCCCCC2)c(C)o1 ZINC000177826441 1428866101 /nfs/dbraw/zinc/86/61/01/1428866101.db2.gz OHAGLWOKLHNUNB-UHFFFAOYSA-N -1 3 391.493 3.129 20 0 GGADHM Cc1c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1-c1ccncc1 ZINC000125223817 1415133600 /nfs/dbraw/zinc/13/36/00/1415133600.db2.gz IBMWYMRQDSCSPX-UHFFFAOYSA-N -1 3 390.443 3.016 20 0 GGADHM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125310553 1415159776 /nfs/dbraw/zinc/15/97/76/1415159776.db2.gz MIICSTAHHDYJMO-UHFFFAOYSA-N -1 3 379.342 3.037 20 0 GGADHM COC(=O)c1occc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000125318558 1415162586 /nfs/dbraw/zinc/16/25/86/1415162586.db2.gz MZAZXMRQPLPCRI-UHFFFAOYSA-N -1 3 392.839 3.276 20 0 GGADHM O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125335046 1415168012 /nfs/dbraw/zinc/16/80/12/1415168012.db2.gz QCHVCQWEWMBOMW-UHFFFAOYSA-N -1 3 378.310 3.427 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000125373707 1415179345 /nfs/dbraw/zinc/17/93/45/1415179345.db2.gz PDILGLCPCHKZFW-UHFFFAOYSA-N -1 3 375.306 3.209 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000125410078 1415190096 /nfs/dbraw/zinc/19/00/96/1415190096.db2.gz RIRZVLHXXDNNIR-VIFPVBQESA-N -1 3 377.322 3.472 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000125410277 1415190201 /nfs/dbraw/zinc/19/02/01/1415190201.db2.gz RIRZVLHXXDNNIR-SECBINFHSA-N -1 3 377.322 3.472 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000125444413 1415200522 /nfs/dbraw/zinc/20/05/22/1415200522.db2.gz CPXXFUASKIZGSS-JOCHJYFZSA-N -1 3 387.483 3.494 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)cc1C(F)(F)F ZINC000125553561 1415225404 /nfs/dbraw/zinc/22/54/04/1415225404.db2.gz MDJKPWUKOOVVGQ-UHFFFAOYSA-N -1 3 382.367 3.395 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c(C)c1 ZINC000125595780 1415234338 /nfs/dbraw/zinc/23/43/38/1415234338.db2.gz BSQQWYHYHQWMRT-UHFFFAOYSA-N -1 3 388.489 3.349 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)cc1C ZINC000125596763 1415234704 /nfs/dbraw/zinc/23/47/04/1415234704.db2.gz RGBQJFZBAAUAJQ-UHFFFAOYSA-N -1 3 388.489 3.349 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000125621027 1415239303 /nfs/dbraw/zinc/23/93/03/1415239303.db2.gz BWWZOBZVCZYPBI-UHFFFAOYSA-N -1 3 383.477 3.163 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000125692461 1415255545 /nfs/dbraw/zinc/25/55/45/1415255545.db2.gz NTCOSJMBYUPDRL-ZDUSSCGKSA-N -1 3 397.903 3.378 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000125692721 1415255696 /nfs/dbraw/zinc/25/56/96/1415255696.db2.gz NTCOSJMBYUPDRL-CYBMUJFWSA-N -1 3 397.903 3.378 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000125701494 1415257592 /nfs/dbraw/zinc/25/75/92/1415257592.db2.gz AFUSZXNEFXSLRQ-ZDUSSCGKSA-N -1 3 397.903 3.378 20 0 GGADHM O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1c([O-])cccc1O ZINC000125707703 1415258625 /nfs/dbraw/zinc/25/86/25/1415258625.db2.gz FJFHFESVRKMUFC-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM O=C(NCc1csc(-c2ccccc2)n1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000125735279 1415265738 /nfs/dbraw/zinc/26/57/38/1415265738.db2.gz AJDHXJBUMLPFJX-UHFFFAOYSA-N -1 3 378.413 3.015 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)c2cc(C)n([C@@H](C)COC)c2C)n1 ZINC000125754324 1415270827 /nfs/dbraw/zinc/27/08/27/1415270827.db2.gz NDOATSWMJGEBBI-ZDUSSCGKSA-N -1 3 377.510 3.486 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c(=O)[n-]1 ZINC000125781435 1415279300 /nfs/dbraw/zinc/27/93/00/1415279300.db2.gz JUZRTBGBUPSWIJ-UHFFFAOYSA-N -1 3 396.472 3.016 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3(C)CCC3)ccc2C)cc1 ZINC000125842371 1415295123 /nfs/dbraw/zinc/29/51/23/1415295123.db2.gz WNHBXMSZRNWUBU-UHFFFAOYSA-N -1 3 388.489 3.477 20 0 GGADHM O=C(CCCc1csc2ccccc12)NCCNC(=O)c1ccc([O-])cc1 ZINC000125867641 1415300722 /nfs/dbraw/zinc/30/07/22/1415300722.db2.gz KBPOILUJVJRYBA-UHFFFAOYSA-N -1 3 382.485 3.476 20 0 GGADHM O=C(CCC(=O)c1csc2ccccc12)NCCNC(=O)c1ccc([O-])cc1 ZINC000125869793 1415301307 /nfs/dbraw/zinc/30/13/07/1415301307.db2.gz HIGZUUBISGOUOU-UHFFFAOYSA-N -1 3 396.468 3.116 20 0 GGADHM C[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])Cc2ccccc2C(=O)O1 ZINC000126017260 1415337419 /nfs/dbraw/zinc/33/74/19/1415337419.db2.gz MMAKEVCIVGVABP-KRWDZBQOSA-N -1 3 376.206 3.265 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)cc(OC)c1[O-] ZINC000126032276 1415340305 /nfs/dbraw/zinc/34/03/05/1415340305.db2.gz AKYQWBFTYPJVFT-CQSZACIVSA-N -1 3 381.432 3.145 20 0 GGADHM Cc1cc([C@](C)(O)CNC(=O)NCc2ccc([O-])c(Br)c2)c(C)o1 ZINC000126176288 1415377168 /nfs/dbraw/zinc/37/71/68/1415377168.db2.gz SQZCPFBLQWGQMU-QGZVFWFLSA-N -1 3 397.269 3.071 20 0 GGADHM O=C(/C=C/c1ccc(Cl)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000177989956 1428919010 /nfs/dbraw/zinc/91/90/10/1428919010.db2.gz ICWUVPXYXMGANC-SOFGYWHQSA-N -1 3 376.865 3.105 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H](O)c1ccccc1Cl ZINC000126190075 1415380403 /nfs/dbraw/zinc/38/04/03/1415380403.db2.gz CVEILNLERRUHRI-OAHLLOKOSA-N -1 3 399.672 3.341 20 0 GGADHM Cc1ccc(NC(=O)CN(C)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000126217547 1415386622 /nfs/dbraw/zinc/38/66/22/1415386622.db2.gz XFTGVRYAOFZWSV-UHFFFAOYSA-N -1 3 375.494 3.075 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1F ZINC000126469392 1415462184 /nfs/dbraw/zinc/46/21/84/1415462184.db2.gz TXVQYOYCAWPBHI-JTQLQIEISA-N -1 3 396.415 3.072 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)cc1F ZINC000126513754 1415475105 /nfs/dbraw/zinc/47/51/05/1415475105.db2.gz GPIXJFLXUROTSW-UHFFFAOYSA-N -1 3 396.415 3.073 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000126623946 1415509875 /nfs/dbraw/zinc/50/98/75/1415509875.db2.gz APSDDXIXSDDORX-UHFFFAOYSA-N -1 3 377.194 3.364 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1 ZINC000126827402 1415573723 /nfs/dbraw/zinc/57/37/23/1415573723.db2.gz CTCTYVVXQVDVRU-UHFFFAOYSA-N -1 3 388.445 3.479 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000126866869 1415589769 /nfs/dbraw/zinc/58/97/69/1415589769.db2.gz UWWRWWCUENWUFV-UHFFFAOYSA-N -1 3 379.869 3.092 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1 ZINC000126868462 1415590220 /nfs/dbraw/zinc/59/02/20/1415590220.db2.gz VMDWUJKWBBLJNC-UHFFFAOYSA-N -1 3 384.885 3.232 20 0 GGADHM CCCN(C(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178055734 1428959076 /nfs/dbraw/zinc/95/90/76/1428959076.db2.gz VGNAVHIAFSSHEU-HNNXBMFYSA-N -1 3 399.491 3.390 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000127011543 1415635953 /nfs/dbraw/zinc/63/59/53/1415635953.db2.gz ODSUPBVISYNJOJ-WMLDXEAASA-N -1 3 381.432 3.025 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000824529461 1428967531 /nfs/dbraw/zinc/96/75/31/1428967531.db2.gz GMKFKPUXRBABLR-NEPJUHHUSA-N -1 3 380.427 3.302 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000824529461 1428967534 /nfs/dbraw/zinc/96/75/34/1428967534.db2.gz GMKFKPUXRBABLR-NEPJUHHUSA-N -1 3 380.427 3.302 20 0 GGADHM O=C(Nc1cc(-c2ccccc2)on1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000127102738 1415660616 /nfs/dbraw/zinc/66/06/16/1415660616.db2.gz ASJHFFIBDRWKND-UHFFFAOYSA-N -1 3 392.415 3.037 20 0 GGADHM CCn1cc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000127183794 1415680569 /nfs/dbraw/zinc/68/05/69/1415680569.db2.gz FOHIDMJJONGOAL-UHFFFAOYSA-N -1 3 384.505 3.336 20 0 GGADHM O=C(c1ccc(Oc2ccccc2)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000178121681 1428990780 /nfs/dbraw/zinc/99/07/80/1428990780.db2.gz RHULSOCJMHBLMU-UHFFFAOYSA-N -1 3 392.411 3.376 20 0 GGADHM C[C@H](SCCN1CCOCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000127412941 1415770770 /nfs/dbraw/zinc/77/07/70/1415770770.db2.gz FIUNRUGJKBPBGA-LBPRGKRZSA-N -1 3 391.518 3.371 20 0 GGADHM CCNC(=O)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)nc2ccccc21 ZINC000127428623 1415775266 /nfs/dbraw/zinc/77/52/66/1415775266.db2.gz LNVGIVDRTWITHG-UHFFFAOYSA-N -1 3 386.411 3.078 20 0 GGADHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178136548 1428994983 /nfs/dbraw/zinc/99/49/83/1428994983.db2.gz BMNAFAIABRJGDH-ZYHUDNBSSA-N -1 3 375.277 3.179 20 0 GGADHM O=C(NC1CCCC1)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000127517507 1415803991 /nfs/dbraw/zinc/80/39/91/1415803991.db2.gz XHJNHLOOHGASRV-CPNJWEJPSA-N -1 3 375.428 3.082 20 0 GGADHM O=C(c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1)N1CCCCC1 ZINC000127529702 1415805747 /nfs/dbraw/zinc/80/57/47/1415805747.db2.gz OGOYKJRJSOPTSZ-XMHGGMMESA-N -1 3 375.428 3.036 20 0 GGADHM CC(C)CNC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000127541823 1415807242 /nfs/dbraw/zinc/80/72/42/1415807242.db2.gz BWKLOHJXTSNZPY-BOPFTXTBSA-N -1 3 397.862 3.449 20 0 GGADHM CN1CCN(c2ccc(NC(=O)c3ccc(Br)c([O-])c3)cc2)CC1 ZINC000127541478 1415807378 /nfs/dbraw/zinc/80/73/78/1415807378.db2.gz YDCAHGFDUJBQII-UHFFFAOYSA-N -1 3 390.281 3.159 20 0 GGADHM CC1CCN(C(=O)c2ccccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)CC1 ZINC000127557421 1415809849 /nfs/dbraw/zinc/80/98/49/1415809849.db2.gz JCSJPTOMHPTTDY-RGEXLXHISA-N -1 3 389.455 3.282 20 0 GGADHM C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824618271 1429000871 /nfs/dbraw/zinc/00/08/71/1429000871.db2.gz OAOYMUXGURDONC-CQSZACIVSA-N -1 3 381.459 3.242 20 0 GGADHM Cc1ccc(CC(=O)[N-]O[C@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000178162679 1429003966 /nfs/dbraw/zinc/00/39/66/1429003966.db2.gz INLOXLIHWCQHAY-CYBMUJFWSA-N -1 3 391.265 3.375 20 0 GGADHM CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000127704972 1415836360 /nfs/dbraw/zinc/83/63/60/1415836360.db2.gz DVCCARKJJTWLEL-UHFFFAOYSA-N -1 3 387.505 3.158 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc3ccccc3n2-c2ccccc2)c(=O)[n-]1 ZINC000127708147 1415836592 /nfs/dbraw/zinc/83/65/92/1415836592.db2.gz SCFPJJIAXUZZEE-UHFFFAOYSA-N -1 3 387.443 3.297 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F ZINC000127747199 1415842994 /nfs/dbraw/zinc/84/29/94/1415842994.db2.gz ZPFLURKURCONJA-UHFFFAOYSA-N -1 3 390.358 3.182 20 0 GGADHM C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127751784 1415843962 /nfs/dbraw/zinc/84/39/62/1415843962.db2.gz VZQXKSPMLLUKTL-QGZVFWFLSA-N -1 3 380.488 3.334 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)CCCC2)no1 ZINC000127815966 1415856030 /nfs/dbraw/zinc/85/60/30/1415856030.db2.gz JLFRAIRGUMCWTC-SNVBAGLBSA-N -1 3 397.884 3.103 20 0 GGADHM CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000127840503 1415860884 /nfs/dbraw/zinc/86/08/84/1415860884.db2.gz OTGQJNUNXWCMRT-UHFFFAOYSA-N -1 3 387.379 3.386 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000128020686 1415894494 /nfs/dbraw/zinc/89/44/94/1415894494.db2.gz QOICXCKVVPZCLP-LBPRGKRZSA-N -1 3 393.896 3.336 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000128068122 1415904608 /nfs/dbraw/zinc/90/46/08/1415904608.db2.gz YCHWXBJIXOYGMN-ZDUSSCGKSA-N -1 3 399.838 3.209 20 0 GGADHM COc1ccc2oc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c(C)c2c1 ZINC000128069236 1415905333 /nfs/dbraw/zinc/90/53/33/1415905333.db2.gz AGYCWDRFTDOUDS-UHFFFAOYSA-N -1 3 394.427 3.054 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000128073773 1415906012 /nfs/dbraw/zinc/90/60/12/1415906012.db2.gz YRKOUQFWIAZLDK-UHFFFAOYSA-N -1 3 396.487 3.187 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000128096406 1415912103 /nfs/dbraw/zinc/91/21/03/1415912103.db2.gz FKZXOEDMDNDKSP-UHFFFAOYSA-N -1 3 378.285 3.446 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000128096406 1415912109 /nfs/dbraw/zinc/91/21/09/1415912109.db2.gz FKZXOEDMDNDKSP-UHFFFAOYSA-N -1 3 378.285 3.446 20 0 GGADHM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000128215331 1415941530 /nfs/dbraw/zinc/94/15/30/1415941530.db2.gz LAAKKNKWKPPZPT-AWEZNQCLSA-N -1 3 392.814 3.437 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c(=O)[n-]1 ZINC000128378874 1415974695 /nfs/dbraw/zinc/97/46/95/1415974695.db2.gz DKOGTAFSDNGGDX-UHFFFAOYSA-N -1 3 391.393 3.264 20 0 GGADHM CCCN(CCC)C(=O)c1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000128382138 1415975251 /nfs/dbraw/zinc/97/52/51/1415975251.db2.gz NKWGYSHJKJXCRO-UHFFFAOYSA-N -1 3 398.507 3.220 20 0 GGADHM CC(C)N(C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824477960 1429032855 /nfs/dbraw/zinc/03/28/55/1429032855.db2.gz DMNDJEHNLALKSV-OAHLLOKOSA-N -1 3 378.480 3.051 20 0 GGADHM CC(C)N(C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824477960 1429032862 /nfs/dbraw/zinc/03/28/62/1429032862.db2.gz DMNDJEHNLALKSV-OAHLLOKOSA-N -1 3 378.480 3.051 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnc([C@H]4CCCO4)s3)c2)n1 ZINC000128529219 1416006901 /nfs/dbraw/zinc/00/69/01/1416006901.db2.gz JFDOXJMBHQQXBG-CQSZACIVSA-N -1 3 383.429 3.273 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)c[n-]c12 ZINC000128607747 1416023832 /nfs/dbraw/zinc/02/38/32/1416023832.db2.gz RRFXAMIMKHRNRY-UHFFFAOYSA-N -1 3 399.397 3.204 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)c(C)c2)CC1 ZINC000128671994 1416039473 /nfs/dbraw/zinc/03/94/73/1416039473.db2.gz WWOFHLOELCACIH-UHFFFAOYSA-N -1 3 395.475 3.216 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cc(C(C)(C)C)ccc32)c(C)o1 ZINC000128725467 1416051815 /nfs/dbraw/zinc/05/18/15/1416051815.db2.gz VFSMJLHBYRQMHZ-UHFFFAOYSA-N -1 3 390.505 3.387 20 0 GGADHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128726575 1416052460 /nfs/dbraw/zinc/05/24/60/1416052460.db2.gz MRIKHFDOZNRPKJ-CYBMUJFWSA-N -1 3 392.452 3.347 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000128732508 1416054067 /nfs/dbraw/zinc/05/40/67/1416054067.db2.gz JERFCTXKPVJCRX-UHFFFAOYSA-N -1 3 378.413 3.338 20 0 GGADHM COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc([O-])c2F)CC1=O ZINC000128742275 1416057016 /nfs/dbraw/zinc/05/70/16/1416057016.db2.gz MEXNXMHHRPMXHB-SNVBAGLBSA-N -1 3 378.787 3.185 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000128749693 1416058005 /nfs/dbraw/zinc/05/80/05/1416058005.db2.gz CMPQLIXBDGFHAK-IFXJQAMLSA-N -1 3 390.411 3.200 20 0 GGADHM O=C(CN1CCCCCC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000128937478 1416108714 /nfs/dbraw/zinc/10/87/14/1416108714.db2.gz ASLJGDUFNMXXTG-UHFFFAOYSA-N -1 3 387.505 3.302 20 0 GGADHM Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128981623 1416118761 /nfs/dbraw/zinc/11/87/61/1416118761.db2.gz HNQFLIVOPTVBEZ-INIZCTEOSA-N -1 3 394.468 3.171 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CSC ZINC000129129002 1416152110 /nfs/dbraw/zinc/15/21/10/1416152110.db2.gz SAQAEIZZVKMXDE-SSDOTTSWSA-N -1 3 388.736 3.141 20 0 GGADHM CC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(F)cc1F ZINC000129130601 1416152345 /nfs/dbraw/zinc/15/23/45/1416152345.db2.gz BUAIHHNGDONOCB-SFHVURJKSA-N -1 3 398.413 3.229 20 0 GGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178399890 1429069495 /nfs/dbraw/zinc/06/94/95/1429069495.db2.gz ICTXIWAUEMFLCY-CABZTGNLSA-N -1 3 393.267 3.318 20 0 GGADHM CC[C@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000736322966 1429076014 /nfs/dbraw/zinc/07/60/14/1429076014.db2.gz SIEIWXLBEDKROQ-ZDUSSCGKSA-N -1 3 387.532 3.459 20 0 GGADHM CC[C@H](C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000736322966 1429076021 /nfs/dbraw/zinc/07/60/21/1429076021.db2.gz SIEIWXLBEDKROQ-ZDUSSCGKSA-N -1 3 387.532 3.459 20 0 GGADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1Cl ZINC000129456262 1416212226 /nfs/dbraw/zinc/21/22/26/1416212226.db2.gz ATSDHFYXTBUVNQ-UHFFFAOYSA-N -1 3 389.260 3.202 20 0 GGADHM CCN1CCO[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000129506591 1416220191 /nfs/dbraw/zinc/22/01/91/1416220191.db2.gz IYTNHQIZHLUFGS-QGZVFWFLSA-N -1 3 383.473 3.328 20 0 GGADHM COc1ccc2c(c1)OCC[C@H]2N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826213094 1429077894 /nfs/dbraw/zinc/07/78/94/1429077894.db2.gz KXKIMDFVIOFJHK-RBUKOAKNSA-N -1 3 377.448 3.366 20 0 GGADHM COc1ccc2c(c1)OCC[C@H]2N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826213094 1429077896 /nfs/dbraw/zinc/07/78/96/1429077896.db2.gz KXKIMDFVIOFJHK-RBUKOAKNSA-N -1 3 377.448 3.366 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000129707090 1416251609 /nfs/dbraw/zinc/25/16/09/1416251609.db2.gz FWCABFLYGKTDFZ-CYBMUJFWSA-N -1 3 394.349 3.376 20 0 GGADHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000129714264 1416252405 /nfs/dbraw/zinc/25/24/05/1416252405.db2.gz FQCNMJGDQUFMJY-UHFFFAOYSA-N -1 3 394.410 3.341 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c(C)c1 ZINC000129754659 1416258677 /nfs/dbraw/zinc/25/86/77/1416258677.db2.gz GDJZESGKHOAMDZ-UHFFFAOYSA-N -1 3 375.425 3.438 20 0 GGADHM Cc1nc(C(=O)[N-]c2nc3ccc(F)cn3n2)nn1-c1ccccc1C(C)C ZINC000129861061 1416275885 /nfs/dbraw/zinc/27/58/85/1416275885.db2.gz JYDOUDNWAXOKLV-UHFFFAOYSA-N -1 3 379.399 3.133 20 0 GGADHM CN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000130015571 1416302732 /nfs/dbraw/zinc/30/27/32/1416302732.db2.gz YIXCOXPARDREQM-UHFFFAOYSA-N -1 3 399.447 3.294 20 0 GGADHM O=C1[C@@H](N[C@H]2CCCc3ccccc32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476078 1429085525 /nfs/dbraw/zinc/08/55/25/1429085525.db2.gz AGZCBXORLXSTEV-PMACEKPBSA-N -1 3 388.475 3.029 20 0 GGADHM O=C1[C@@H](N[C@H]2CCCc3ccccc32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476078 1429085531 /nfs/dbraw/zinc/08/55/31/1429085531.db2.gz AGZCBXORLXSTEV-PMACEKPBSA-N -1 3 388.475 3.029 20 0 GGADHM CC[C@@H](c1ccncc1)N(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000130100928 1416318301 /nfs/dbraw/zinc/31/83/01/1416318301.db2.gz MYYOHYLJRJBJQQ-ZDUSSCGKSA-N -1 3 386.477 3.058 20 0 GGADHM Cn1c(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc2ccccc21 ZINC000130159019 1416329879 /nfs/dbraw/zinc/32/98/79/1416329879.db2.gz BRVXAIPANIVHMV-UHFFFAOYSA-N -1 3 390.212 3.155 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)c2)cc1Cl ZINC000130323408 1416358082 /nfs/dbraw/zinc/35/80/82/1416358082.db2.gz QHUCJTCPHPGWIZ-MRXNPFEDSA-N -1 3 394.818 3.495 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000130369175 1416365912 /nfs/dbraw/zinc/36/59/12/1416365912.db2.gz LLVMMBFDROVBLP-CQSZACIVSA-N -1 3 394.493 3.252 20 0 GGADHM Cc1nc(C)c(CC(=O)OCc2ccc(Br)cc2Cl)c(=O)[n-]1 ZINC000130386510 1416368995 /nfs/dbraw/zinc/36/89/95/1416368995.db2.gz BWLUXNVPQMSCAU-UHFFFAOYSA-N -1 3 385.645 3.089 20 0 GGADHM NC(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000130416257 1416374564 /nfs/dbraw/zinc/37/45/64/1416374564.db2.gz IZOBVGSMQNLZSK-UHFFFAOYSA-N -1 3 376.412 3.251 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Br)s1 ZINC000130420452 1416374916 /nfs/dbraw/zinc/37/49/16/1416374916.db2.gz LLQJENJLWLMOFY-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2o1 ZINC000178499716 1429091245 /nfs/dbraw/zinc/09/12/45/1429091245.db2.gz QMBMCFSUUKAGIL-LLVKDONJSA-N -1 3 377.393 3.398 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000130458084 1416381430 /nfs/dbraw/zinc/38/14/30/1416381430.db2.gz XTZSKBMUSQOUAM-QGZVFWFLSA-N -1 3 380.488 3.433 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000130500352 1416389494 /nfs/dbraw/zinc/38/94/94/1416389494.db2.gz RGGUYXJULVIWBO-ZDUSSCGKSA-N -1 3 394.393 3.136 20 0 GGADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000130502339 1416390165 /nfs/dbraw/zinc/39/01/65/1416390165.db2.gz AJMVDGCULUHMIL-CYBMUJFWSA-N -1 3 394.393 3.136 20 0 GGADHM COC(=O)c1cc(C)nc2nc(S[C@@H]3CCc4ccc(F)cc43)[n-]c(=O)c21 ZINC000178508288 1429093732 /nfs/dbraw/zinc/09/37/32/1429093732.db2.gz JHGDXYWROMTSBV-CQSZACIVSA-N -1 3 385.420 3.332 20 0 GGADHM CS[C@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000130631015 1416414168 /nfs/dbraw/zinc/41/41/68/1416414168.db2.gz GYRUQMJBIYEPLS-CYBMUJFWSA-N -1 3 396.509 3.416 20 0 GGADHM CC(=O)Nc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C(F)(F)F)c1 ZINC000130712677 1416432021 /nfs/dbraw/zinc/43/20/21/1416432021.db2.gz RCIYNTIXYZJVEB-UHFFFAOYSA-N -1 3 381.236 3.053 20 0 GGADHM CC(=O)Nc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C(F)(F)F)c1 ZINC000130712677 1416432024 /nfs/dbraw/zinc/43/20/24/1416432024.db2.gz RCIYNTIXYZJVEB-UHFFFAOYSA-N -1 3 381.236 3.053 20 0 GGADHM CCCN(CC(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000130919869 1416481468 /nfs/dbraw/zinc/48/14/68/1416481468.db2.gz YPHWVOOTAQRKDG-UHFFFAOYSA-N -1 3 380.432 3.020 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000130946677 1416486021 /nfs/dbraw/zinc/48/60/21/1416486021.db2.gz PGYCLWJLNUNICC-UHFFFAOYSA-N -1 3 396.878 3.394 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)c(=O)[n-]1 ZINC000130957848 1416487302 /nfs/dbraw/zinc/48/73/02/1416487302.db2.gz RQEAVGALXXXXPO-UHFFFAOYSA-N -1 3 386.471 3.476 20 0 GGADHM Cc1ccc(-c2ncc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)s2)o1 ZINC000131005296 1416494754 /nfs/dbraw/zinc/49/47/54/1416494754.db2.gz PPISEHUQAJUYJJ-UHFFFAOYSA-N -1 3 383.473 3.375 20 0 GGADHM Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)c4ccc([O-])cc4)CC3)o2)cc1 ZINC000131045236 1416500535 /nfs/dbraw/zinc/50/05/35/1416500535.db2.gz HCUWMUNMMGWBSJ-INIZCTEOSA-N -1 3 392.459 3.270 20 0 GGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000131069925 1416504267 /nfs/dbraw/zinc/50/42/67/1416504267.db2.gz ABAXXTMYWHBRJN-UHFFFAOYSA-N -1 3 387.399 3.187 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000823698236 1429102832 /nfs/dbraw/zinc/10/28/32/1429102832.db2.gz ORYPGTSARJIJMU-LJQANCHMSA-N -1 3 385.418 3.091 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000823698236 1429102834 /nfs/dbraw/zinc/10/28/34/1429102834.db2.gz ORYPGTSARJIJMU-LJQANCHMSA-N -1 3 385.418 3.091 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)c1 ZINC000131158449 1416517575 /nfs/dbraw/zinc/51/75/75/1416517575.db2.gz OTGPEOSAWYNJEB-UHFFFAOYSA-N -1 3 398.488 3.024 20 0 GGADHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000131171507 1416519372 /nfs/dbraw/zinc/51/93/72/1416519372.db2.gz BSNDQYSWIPDEJK-AWEZNQCLSA-N -1 3 376.478 3.171 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1OC ZINC000131479016 1416563991 /nfs/dbraw/zinc/56/39/91/1416563991.db2.gz XDDGLXXOXRFCBK-UHFFFAOYSA-N -1 3 376.478 3.139 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1OC ZINC000131511555 1416569256 /nfs/dbraw/zinc/56/92/56/1416569256.db2.gz FOURRFFDYPUSNA-UHFFFAOYSA-N -1 3 390.505 3.447 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Nc2c(Cl)cc(F)cc2Cl)c1 ZINC000131578059 1416578541 /nfs/dbraw/zinc/57/85/41/1416578541.db2.gz SAWRNOZSPGQRBV-UHFFFAOYSA-N -1 3 381.260 3.290 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1OC ZINC000131662229 1416592672 /nfs/dbraw/zinc/59/26/72/1416592672.db2.gz MRYYKVJPPMPSRB-UHFFFAOYSA-N -1 3 388.489 3.011 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000132199776 1416716101 /nfs/dbraw/zinc/71/61/01/1416716101.db2.gz JEHHCHMDFXKEMP-OAHLLOKOSA-N -1 3 396.534 3.014 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)ccc1F ZINC000132244117 1416722811 /nfs/dbraw/zinc/72/28/11/1416722811.db2.gz VISFQCNMIJDHAT-UHFFFAOYSA-N -1 3 391.468 3.494 20 0 GGADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(CCN2CCSCC2)cc1 ZINC000132327435 1416737176 /nfs/dbraw/zinc/73/71/76/1416737176.db2.gz IKAPBLDLOPZGQJ-UHFFFAOYSA-N -1 3 392.546 3.087 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3cc(F)c(F)cc3F)n[nH]2)c(OC)c1 ZINC000132488729 1416772158 /nfs/dbraw/zinc/77/21/58/1416772158.db2.gz DQPZXYPTJLKPLV-UHFFFAOYSA-N -1 3 378.310 3.159 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)cc1C(=O)N(C)C ZINC000132564550 1416785658 /nfs/dbraw/zinc/78/56/58/1416785658.db2.gz SQVFKRZRZSGAJJ-UHFFFAOYSA-N -1 3 396.896 3.468 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000132684719 1416803386 /nfs/dbraw/zinc/80/33/86/1416803386.db2.gz BKGGSEMALYCKBX-GOSISDBHSA-N -1 3 390.374 3.015 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000132684912 1416803774 /nfs/dbraw/zinc/80/37/74/1416803774.db2.gz BKGGSEMALYCKBX-SFHVURJKSA-N -1 3 390.374 3.015 20 0 GGADHM CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc(C)ccc2[O-])c2ccccc2O1 ZINC000132702099 1416805782 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GGADHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000132941239 1416833696 /nfs/dbraw/zinc/83/36/96/1416833696.db2.gz GPZMDGXSICTWEE-UHFFFAOYSA-N -1 3 385.276 3.107 20 0 GGADHM CCOc1ccc(-c2noc(CCC(=O)NCc3ccc([O-])c(F)c3)n2)cc1 ZINC000132983380 1416838693 /nfs/dbraw/zinc/83/86/93/1416838693.db2.gz OZTSWQSBFUQXDA-UHFFFAOYSA-N -1 3 385.395 3.229 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)c[n-]c12 ZINC000133040203 1416844725 /nfs/dbraw/zinc/84/47/25/1416844725.db2.gz DBCWAIWIUJRTNW-UHFFFAOYSA-N -1 3 379.391 3.137 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000133174415 1416860813 /nfs/dbraw/zinc/86/08/13/1416860813.db2.gz FYHCJIMIJLJNNN-UHFFFAOYSA-N -1 3 386.404 3.356 20 0 GGADHM CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)c1C ZINC000133204658 1416864007 /nfs/dbraw/zinc/86/40/07/1416864007.db2.gz ASIYVZWWWBHMOS-UHFFFAOYSA-N -1 3 397.406 3.132 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000133272155 1416872796 /nfs/dbraw/zinc/87/27/96/1416872796.db2.gz LZKXQVCKYHEYRV-HUUCEWRRSA-N -1 3 388.489 3.304 20 0 GGADHM CO[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1Cl ZINC000133425418 1416888628 /nfs/dbraw/zinc/88/86/28/1416888628.db2.gz OEXBGTBXCNWVKM-AWEZNQCLSA-N -1 3 377.872 3.147 20 0 GGADHM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1 ZINC000133587067 1416911456 /nfs/dbraw/zinc/91/14/56/1416911456.db2.gz OCGISYCIXMLIOM-YWZLYKJASA-N -1 3 387.505 3.318 20 0 GGADHM O=C(CC1(O)CCCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178707893 1429147550 /nfs/dbraw/zinc/14/75/50/1429147550.db2.gz IDTTVUGTDLJSCN-UHFFFAOYSA-N -1 3 394.899 3.308 20 0 GGADHM CC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)N(C)C ZINC000133969929 1417003375 /nfs/dbraw/zinc/00/33/75/1417003375.db2.gz BFAAOFBEBUMFLG-QGZVFWFLSA-N -1 3 375.494 3.075 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@@H]3CC(=O)c3ccccc3)cc(=O)oc12 ZINC000134087428 1417020708 /nfs/dbraw/zinc/02/07/08/1417020708.db2.gz ZCVJFYFSVBMLLL-SFHVURJKSA-N -1 3 393.439 3.281 20 0 GGADHM O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134195336 1417036546 /nfs/dbraw/zinc/03/65/46/1417036546.db2.gz OHJGNVKZLWPLOC-UHFFFAOYSA-N -1 3 385.367 3.176 20 0 GGADHM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134203437 1417037488 /nfs/dbraw/zinc/03/74/88/1417037488.db2.gz XJIJMRWIEGMBIO-VIFPVBQESA-N -1 3 392.337 3.044 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cn(Cc2cccc(F)c2)nn1 ZINC000134213242 1417038209 /nfs/dbraw/zinc/03/82/09/1417038209.db2.gz GHXBNKIFMGTNIQ-UHFFFAOYSA-N -1 3 380.301 3.442 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C1CC1 ZINC000134487039 1417075667 /nfs/dbraw/zinc/07/56/67/1417075667.db2.gz XZPDVJGDEWSGBZ-OAHLLOKOSA-N -1 3 396.491 3.035 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820411799 1429161365 /nfs/dbraw/zinc/16/13/65/1429161365.db2.gz JPWXIYIUVRUHKJ-PMPSAXMXSA-N -1 3 390.491 3.274 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820411799 1429161375 /nfs/dbraw/zinc/16/13/75/1429161375.db2.gz JPWXIYIUVRUHKJ-PMPSAXMXSA-N -1 3 390.491 3.274 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000135019315 1417162307 /nfs/dbraw/zinc/16/23/07/1417162307.db2.gz MIZJWZKHZYIFAW-GFCCVEGCSA-N -1 3 399.658 3.193 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)c(F)c2)cc1F ZINC000135021963 1417162911 /nfs/dbraw/zinc/16/29/11/1417162911.db2.gz IQRCOVIZLRDXMP-AWEZNQCLSA-N -1 3 379.787 3.078 20 0 GGADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)n1 ZINC000135171919 1417181054 /nfs/dbraw/zinc/18/10/54/1417181054.db2.gz UAYUJGSRIICBGJ-UHFFFAOYSA-N -1 3 386.358 3.026 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)n[n-]1 ZINC000135171919 1417181064 /nfs/dbraw/zinc/18/10/64/1417181064.db2.gz UAYUJGSRIICBGJ-UHFFFAOYSA-N -1 3 386.358 3.026 20 0 GGADHM COC(=O)Cc1nc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)n[n-]1 ZINC000135172105 1417181277 /nfs/dbraw/zinc/18/12/77/1417181277.db2.gz JMNQVAFCBUAUDL-UHFFFAOYSA-N -1 3 376.844 3.014 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)nc2Br)cc1 ZINC000135241975 1417194186 /nfs/dbraw/zinc/19/41/86/1417194186.db2.gz PTYYFSVXDUHMEM-UHFFFAOYSA-N -1 3 399.266 3.130 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1F ZINC000135302925 1417205294 /nfs/dbraw/zinc/20/52/94/1417205294.db2.gz KFYJCPADOUUFKF-UHFFFAOYSA-N -1 3 395.431 3.324 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)cc1 ZINC000135326676 1417208049 /nfs/dbraw/zinc/20/80/49/1417208049.db2.gz DWOVMKJYVHIOST-CQSZACIVSA-N -1 3 378.519 3.434 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4nc(C(F)F)[nH]c4c3)ccc2N1 ZINC000135516808 1417232068 /nfs/dbraw/zinc/23/20/68/1417232068.db2.gz NKZLJWSRLIKDNY-UHFFFAOYSA-N -1 3 392.387 3.186 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccccc1OCCn1ccnc1 ZINC000135558391 1417237408 /nfs/dbraw/zinc/23/74/08/1417237408.db2.gz GZAYAAJAODRAJG-UHFFFAOYSA-N -1 3 375.425 3.043 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC000136044470 1417287819 /nfs/dbraw/zinc/28/78/19/1417287819.db2.gz CLYUVCFWEVPFRH-UHFFFAOYSA-N -1 3 378.472 3.090 20 0 GGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn(-c4ccc(C)cc4)nn3)s2)cc1 ZINC000136380641 1417312858 /nfs/dbraw/zinc/31/28/58/1417312858.db2.gz BGDANQPKRRZAKN-UHFFFAOYSA-N -1 3 392.444 3.355 20 0 GGADHM O=S(=O)([N-]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(Cl)nc1Cl ZINC000178801693 1429174503 /nfs/dbraw/zinc/17/45/03/1429174503.db2.gz XBHPBCKREFYMSU-AWEZNQCLSA-N -1 3 387.288 3.181 20 0 GGADHM O=C(Nc1ccc(Cl)cc1F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136710718 1417341068 /nfs/dbraw/zinc/34/10/68/1417341068.db2.gz LXPPHYQPYREEJY-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM O=C(Nc1ccc(Cl)c(F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136763071 1417344248 /nfs/dbraw/zinc/34/42/48/1417344248.db2.gz UHJJKHMVXNVVKO-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM CC(C)N(C)c1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000136821108 1417347937 /nfs/dbraw/zinc/34/79/37/1417347937.db2.gz VFDPVSKYJCVLSW-UHFFFAOYSA-N -1 3 396.491 3.227 20 0 GGADHM O=C(Nc1cccc(C(F)F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000137023921 1417363593 /nfs/dbraw/zinc/36/35/93/1417363593.db2.gz WAZYFJQCTKUFQW-UHFFFAOYSA-N -1 3 375.375 3.320 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCc2sccc21 ZINC000137373695 1417382670 /nfs/dbraw/zinc/38/26/70/1417382670.db2.gz FNDMIPUUUTWKSU-KRWDZBQOSA-N -1 3 394.500 3.328 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c(=O)[n-]1 ZINC000137840503 1417397895 /nfs/dbraw/zinc/39/78/95/1417397895.db2.gz JFHGIBYFSVHXQR-UHFFFAOYSA-N -1 3 388.427 3.300 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000138999993 1417444405 /nfs/dbraw/zinc/44/44/05/1417444405.db2.gz NFSLFYKHGKHVQW-ZIAGYGMSSA-N -1 3 383.514 3.405 20 0 GGADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)n1 ZINC000139665847 1417467313 /nfs/dbraw/zinc/46/73/13/1417467313.db2.gz XHLLKCHTIRLZRJ-NRFANRHFSA-N -1 3 393.487 3.489 20 0 GGADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cn(Cc2ccccc2)nn1 ZINC000142596660 1417591789 /nfs/dbraw/zinc/59/17/89/1417591789.db2.gz MEXVNMNUUKIYRD-UHFFFAOYSA-N -1 3 376.445 3.021 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)OC)c2)cc1 ZINC000144961068 1417677133 /nfs/dbraw/zinc/67/71/33/1417677133.db2.gz MHGPUFJTHNUXJI-AWEZNQCLSA-N -1 3 392.477 3.250 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1F ZINC000145731435 1417698546 /nfs/dbraw/zinc/69/85/46/1417698546.db2.gz ONVOEVRRMAEJIU-KBPBESRZSA-N -1 3 377.213 3.153 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1cc(F)ccc1Br ZINC000178869254 1429203732 /nfs/dbraw/zinc/20/37/32/1429203732.db2.gz WDQHSOVQBCSJMG-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000147161544 1417740325 /nfs/dbraw/zinc/74/03/25/1417740325.db2.gz VSHORUWCLMMPQA-CYBMUJFWSA-N -1 3 399.472 3.481 20 0 GGADHM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000147161716 1417740367 /nfs/dbraw/zinc/74/03/67/1417740367.db2.gz VSHORUWCLMMPQA-ZDUSSCGKSA-N -1 3 399.472 3.481 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)cc1 ZINC000148474383 1417764530 /nfs/dbraw/zinc/76/45/30/1417764530.db2.gz GYQVVMBNOHFPLY-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM COC[C@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000149139849 1417772656 /nfs/dbraw/zinc/77/26/56/1417772656.db2.gz LZYUQWUBHKXUOW-OAHLLOKOSA-N -1 3 390.505 3.117 20 0 GGADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000178882276 1429209773 /nfs/dbraw/zinc/20/97/73/1429209773.db2.gz IVOPSEPMOKFSRJ-CYBMUJFWSA-N -1 3 391.386 3.289 20 0 GGADHM COC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000150747436 1417797272 /nfs/dbraw/zinc/79/72/72/1417797272.db2.gz VWKBILRURWJPNC-GOSISDBHSA-N -1 3 394.468 3.027 20 0 GGADHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000150791275 1417807353 /nfs/dbraw/zinc/80/73/53/1417807353.db2.gz LSPPQBZWYFHJFZ-UHFFFAOYSA-N -1 3 383.429 3.302 20 0 GGADHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cccc4c3COC4=O)cc2[nH]1 ZINC000150804593 1417810401 /nfs/dbraw/zinc/81/04/01/1417810401.db2.gz SPLMNDCGQYDWNP-UHFFFAOYSA-N -1 3 385.445 3.332 20 0 GGADHM CN(C)c1ccc(N2CCC([N-]S(=O)(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000150825006 1417814574 /nfs/dbraw/zinc/81/45/74/1417814574.db2.gz NSTLWFRHTGEHHO-UHFFFAOYSA-N -1 3 399.516 3.446 20 0 GGADHM O=S(=O)(Cc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000151328165 1417927191 /nfs/dbraw/zinc/92/71/91/1417927191.db2.gz SZKJLOXODGKULB-GOSISDBHSA-N -1 3 394.924 3.130 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000151390355 1417945917 /nfs/dbraw/zinc/94/59/17/1417945917.db2.gz YEGFMNKQRRHSPY-AWEZNQCLSA-N -1 3 376.403 3.083 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000151390429 1417945936 /nfs/dbraw/zinc/94/59/36/1417945936.db2.gz YEGFMNKQRRHSPY-CQSZACIVSA-N -1 3 376.403 3.083 20 0 GGADHM C[C@H](CSc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000151442712 1417971537 /nfs/dbraw/zinc/97/15/37/1417971537.db2.gz PCLHTTZEWTXFOB-CQSZACIVSA-N -1 3 398.463 3.201 20 0 GGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000151442645 1417972118 /nfs/dbraw/zinc/97/21/18/1417972118.db2.gz PCLHTTZEWTXFOB-AWEZNQCLSA-N -1 3 398.463 3.201 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000151458766 1417980620 /nfs/dbraw/zinc/98/06/20/1417980620.db2.gz NWXRERQAFIVYEA-UHFFFAOYSA-N -1 3 390.867 3.036 20 0 GGADHM CC[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(OC)cc1 ZINC000178944378 1429226498 /nfs/dbraw/zinc/22/64/98/1429226498.db2.gz FTTMALAPUKPRFS-KRWDZBQOSA-N -1 3 396.487 3.269 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(N2CCOC2=O)c1 ZINC000151517767 1418011310 /nfs/dbraw/zinc/01/13/10/1418011310.db2.gz VPVSQRRMWMSETB-UHFFFAOYSA-N -1 3 391.221 3.041 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1COC2=O)c1ncc(-c2ccccc2)o1 ZINC000151573981 1418028689 /nfs/dbraw/zinc/02/86/89/1418028689.db2.gz HDXITCICGXLCNO-LBPRGKRZSA-N -1 3 384.413 3.052 20 0 GGADHM CC(C)(C)OC(=O)NC1CCC([N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000151668640 1418056126 /nfs/dbraw/zinc/05/61/26/1418056126.db2.gz JUMUMJMEJLRDJQ-UHFFFAOYSA-N -1 3 390.452 3.079 20 0 GGADHM C[C@@H](CS(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000151718800 1418070678 /nfs/dbraw/zinc/07/06/78/1418070678.db2.gz BGWDJSGZKMVGHO-JKSUJKDBSA-N -1 3 385.489 3.445 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000178975895 1429232642 /nfs/dbraw/zinc/23/26/42/1429232642.db2.gz FZBUPQWOXNGCIJ-INIZCTEOSA-N -1 3 389.320 3.353 20 0 GGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000152136253 1418154357 /nfs/dbraw/zinc/15/43/57/1418154357.db2.gz LHYCYQMPFPRGAN-UHFFFAOYSA-N -1 3 393.834 3.011 20 0 GGADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000152155079 1418160231 /nfs/dbraw/zinc/16/02/31/1418160231.db2.gz KPQRGYDQAMCYRT-QGZVFWFLSA-N -1 3 379.453 3.328 20 0 GGADHM COC(=O)N(C)Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000152196735 1418170751 /nfs/dbraw/zinc/17/07/51/1418170751.db2.gz DQWVICHQMJYURH-UHFFFAOYSA-N -1 3 397.406 3.426 20 0 GGADHM O=C(CSc1cccc2cccc(Cl)c21)N1CCc2nc[n-]c(=O)c2C1 ZINC000179045853 1429248900 /nfs/dbraw/zinc/24/89/00/1429248900.db2.gz SPQMZSKEDCHIJD-UHFFFAOYSA-N -1 3 385.876 3.254 20 0 GGADHM Cc1ccc(-c2cc(C(=O)N3CCc4nc[n-]c(=O)c4C3)c3ccccc3n2)cc1 ZINC000179048499 1429249843 /nfs/dbraw/zinc/24/98/43/1429249843.db2.gz LLUMHOSYVAAIPI-UHFFFAOYSA-N -1 3 396.450 3.492 20 0 GGADHM O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179050919 1429250311 /nfs/dbraw/zinc/25/03/11/1429250311.db2.gz DPEIBBUEDDTGBK-UHFFFAOYSA-N -1 3 394.481 3.307 20 0 GGADHM O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCc2nc[n-]c(=O)c2C1 ZINC000179049950 1429250370 /nfs/dbraw/zinc/25/03/70/1429250370.db2.gz HDPZRNOMFCUZHW-UHFFFAOYSA-N -1 3 382.423 3.184 20 0 GGADHM O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179051687 1429250437 /nfs/dbraw/zinc/25/04/37/1429250437.db2.gz CRUVNVARCZNELM-UHFFFAOYSA-N -1 3 385.345 3.053 20 0 GGADHM O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179055833 1429251091 /nfs/dbraw/zinc/25/10/91/1429251091.db2.gz OKHJNBYNGIDNOA-UHFFFAOYSA-N -1 3 395.846 3.201 20 0 GGADHM O=C(c1ccc(SCc2ccccc2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179062259 1429252501 /nfs/dbraw/zinc/25/25/01/1429252501.db2.gz QVVCSHDLKREJSJ-UHFFFAOYSA-N -1 3 377.469 3.261 20 0 GGADHM CC(C)(C)c1ccc(OCC(=O)N2CCc3nc[n-]c(=O)c3C2)c(C(C)(C)C)c1 ZINC000179090621 1429259340 /nfs/dbraw/zinc/25/93/40/1429259340.db2.gz FVRJPJIESZJWCD-UHFFFAOYSA-N -1 3 397.519 3.329 20 0 GGADHM O=C([C@@H](Sc1ccc(F)cc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179094210 1429260092 /nfs/dbraw/zinc/26/00/92/1429260092.db2.gz GZYMLWROEDQWIR-IBGZPJMESA-N -1 3 395.459 3.327 20 0 GGADHM CCc1ccccc1O[C@@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccccc1 ZINC000179094284 1429260155 /nfs/dbraw/zinc/26/01/55/1429260155.db2.gz AERAFWYZEUJRLF-OAQYLSRUSA-N -1 3 389.455 3.037 20 0 GGADHM CCOc1ccccc1Oc1ccccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179099133 1429262362 /nfs/dbraw/zinc/26/23/62/1429262362.db2.gz GWXBUZWGSJVQLS-UHFFFAOYSA-N -1 3 391.427 3.159 20 0 GGADHM COc1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nc1Br ZINC000180655190 1429959492 /nfs/dbraw/zinc/95/94/92/1429959492.db2.gz SQSAGDFLBDJLEA-UHFFFAOYSA-N -1 3 388.124 3.291 20 0 GGADHM CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccsc1 ZINC000736761016 1429300918 /nfs/dbraw/zinc/30/09/18/1429300918.db2.gz SQPTTWFTRGVYOE-LLVKDONJSA-N -1 3 383.403 3.057 20 0 GGADHM Fc1cc(-c2ccncc2)ccc1CNCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826371568 1429301254 /nfs/dbraw/zinc/30/12/54/1429301254.db2.gz LJRMFVKUSZUMAJ-UHFFFAOYSA-N -1 3 390.422 3.236 20 0 GGADHM Fc1cc(-c2ccncc2)ccc1CNCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000826371568 1429301259 /nfs/dbraw/zinc/30/12/59/1429301259.db2.gz LJRMFVKUSZUMAJ-UHFFFAOYSA-N -1 3 390.422 3.236 20 0 GGADHM Cn1cc(CN2CCC[C@@H]2c2ccco2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360321 1429321806 /nfs/dbraw/zinc/32/18/06/1429321806.db2.gz GDFPGRHVVSCHDI-QGZVFWFLSA-N -1 3 375.436 3.197 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(Cl)nc1Cl ZINC000179307563 1429323342 /nfs/dbraw/zinc/32/33/42/1429323342.db2.gz QBTIIXLAGLXAHZ-JTQLQIEISA-N -1 3 399.658 3.193 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(-c2nn[n-]n2)c1C ZINC000826264215 1429333998 /nfs/dbraw/zinc/33/39/98/1429333998.db2.gz GBYWITLVGRRVSG-ZIAGYGMSSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(-c2nnn[n-]2)c1C ZINC000826264215 1429334004 /nfs/dbraw/zinc/33/40/04/1429334004.db2.gz GBYWITLVGRRVSG-ZIAGYGMSSA-N -1 3 382.468 3.371 20 0 GGADHM C[C@@H](NCc1cnc2cnccn12)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824627345 1429351114 /nfs/dbraw/zinc/35/11/14/1429351114.db2.gz XHEQWNJUJURZLO-OAHLLOKOSA-N -1 3 396.458 3.427 20 0 GGADHM C[C@@H](NCc1cnc2cnccn12)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824627345 1429351119 /nfs/dbraw/zinc/35/11/19/1429351119.db2.gz XHEQWNJUJURZLO-OAHLLOKOSA-N -1 3 396.458 3.427 20 0 GGADHM Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000179418683 1429366962 /nfs/dbraw/zinc/36/69/62/1429366962.db2.gz ZUPVUQKQGXFNPN-HNNXBMFYSA-N -1 3 378.432 3.333 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccccc2F)c1 ZINC000179440917 1429377660 /nfs/dbraw/zinc/37/76/60/1429377660.db2.gz GVUYHENRLMRSPV-UHFFFAOYSA-N -1 3 383.379 3.352 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2F)c1 ZINC000179448037 1429380497 /nfs/dbraw/zinc/38/04/97/1429380497.db2.gz RRDIKFWPMWPILX-LBPRGKRZSA-N -1 3 397.406 3.441 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cccs2)c1 ZINC000179477090 1429387923 /nfs/dbraw/zinc/38/79/23/1429387923.db2.gz AOFYJVBCLGAMLO-NSHDSACASA-N -1 3 385.445 3.363 20 0 GGADHM C[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824578290 1429397207 /nfs/dbraw/zinc/39/72/07/1429397207.db2.gz SBGGZHDDNGXNBO-PXAZEXFGSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578290 1429397210 /nfs/dbraw/zinc/39/72/10/1429397210.db2.gz SBGGZHDDNGXNBO-PXAZEXFGSA-N -1 3 382.855 3.364 20 0 GGADHM Fc1ccc2c(C3=CCN(Cc4ccnc(-c5nn[n-]n5)c4)CC3)c[nH]c2c1 ZINC000826376302 1429407242 /nfs/dbraw/zinc/40/72/42/1429407242.db2.gz XEQDZTKDULOZNH-UHFFFAOYSA-N -1 3 375.411 3.171 20 0 GGADHM Fc1ccc2c(C3=CCN(Cc4ccnc(-c5nnn[n-]5)c4)CC3)c[nH]c2c1 ZINC000826376302 1429407245 /nfs/dbraw/zinc/40/72/45/1429407245.db2.gz XEQDZTKDULOZNH-UHFFFAOYSA-N -1 3 375.411 3.171 20 0 GGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179628708 1429478570 /nfs/dbraw/zinc/47/85/70/1429478570.db2.gz JKPVFLACHUYVDN-HRAATJIYSA-N -1 3 393.487 3.183 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000179639187 1429485020 /nfs/dbraw/zinc/48/50/20/1429485020.db2.gz FLROGRBYCLSXPL-UHFFFAOYSA-N -1 3 375.780 3.435 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000179645780 1429486933 /nfs/dbraw/zinc/48/69/33/1429486933.db2.gz JOBSAUDFQMMALU-UHFFFAOYSA-N -1 3 396.415 3.097 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000152307986 1422068524 /nfs/dbraw/zinc/06/85/24/1422068524.db2.gz AQFUNEOSDSDEOB-NSHDSACASA-N -1 3 399.790 3.053 20 0 GGADHM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000179728494 1429525902 /nfs/dbraw/zinc/52/59/02/1429525902.db2.gz DKZZWEAGSTVFKK-UHFFFAOYSA-N -1 3 388.489 3.475 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(C)C ZINC000152345279 1422079167 /nfs/dbraw/zinc/07/91/67/1422079167.db2.gz DJPPTNNJSXVXAT-UHFFFAOYSA-N -1 3 398.507 3.219 20 0 GGADHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000152350016 1422080388 /nfs/dbraw/zinc/08/03/88/1422080388.db2.gz ZYUICGYVCQWUPA-JTQLQIEISA-N -1 3 390.182 3.389 20 0 GGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000152392927 1422091040 /nfs/dbraw/zinc/09/10/40/1422091040.db2.gz YEMBEIUMSCIESA-QMMMGPOBSA-N -1 3 379.290 3.390 20 0 GGADHM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000152458529 1422109237 /nfs/dbraw/zinc/10/92/37/1422109237.db2.gz IWMFDRWLSLPILY-UHFFFAOYSA-N -1 3 387.443 3.164 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)cc1Cl ZINC000152582041 1422152005 /nfs/dbraw/zinc/15/20/05/1422152005.db2.gz RABIOAACUUSBMT-HNNXBMFYSA-N -1 3 398.843 3.158 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCO[C@@H](C)C4)cc3)c[n-]c12 ZINC000152648114 1422187555 /nfs/dbraw/zinc/18/75/55/1422187555.db2.gz FDFQSIGNOBSZRV-AWEZNQCLSA-N -1 3 395.434 3.453 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000152681344 1422206800 /nfs/dbraw/zinc/20/68/00/1422206800.db2.gz GLRGJZUOXJODME-HOTGVXAUSA-N -1 3 388.464 3.499 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccco1 ZINC000152734179 1422230037 /nfs/dbraw/zinc/23/00/37/1422230037.db2.gz OETMTBVNDGYKIG-QGZVFWFLSA-N -1 3 378.837 3.405 20 0 GGADHM CC(C)c1cc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)no1 ZINC000152808054 1422256067 /nfs/dbraw/zinc/25/60/67/1422256067.db2.gz WCJZLAHRANGSRY-UHFFFAOYSA-N -1 3 383.404 3.269 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000152842763 1422268143 /nfs/dbraw/zinc/26/81/43/1422268143.db2.gz UVRIYMXMPIRRRW-UYAOXDASSA-N -1 3 380.423 3.456 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000152842940 1422268942 /nfs/dbraw/zinc/26/89/42/1422268942.db2.gz UVRIYMXMPIRRRW-QUCCMNQESA-N -1 3 380.423 3.456 20 0 GGADHM CCc1ccc(NC(=O)NN=c2[n-]c(Br)cn3ccnc23)cc1 ZINC000152947825 1422305231 /nfs/dbraw/zinc/30/52/31/1422305231.db2.gz DGOYPKDACFTDRS-UHFFFAOYSA-N -1 3 375.230 3.203 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1nc(C)cs1 ZINC000152980792 1422315437 /nfs/dbraw/zinc/31/54/37/1422315437.db2.gz LFHFDCWRQVAENL-UHFFFAOYSA-N -1 3 399.513 3.334 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H]4CCC[C@@H]4C3)nc(=O)c2c1C ZINC000153027336 1422331821 /nfs/dbraw/zinc/33/18/21/1422331821.db2.gz JAHJTGPHFGSGFH-YNEHKIRRSA-N -1 3 375.494 3.263 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H]4CCC[C@@H]4C3)nc(=O)c2c1C ZINC000153027115 1422332209 /nfs/dbraw/zinc/33/22/09/1422332209.db2.gz JAHJTGPHFGSGFH-RWMBFGLXSA-N -1 3 375.494 3.263 20 0 GGADHM COc1cc(C2(C(=O)NCCNC(=O)c3ccc([O-])cc3)CCCC2)ccc1C ZINC000153090730 1422353401 /nfs/dbraw/zinc/35/34/01/1422353401.db2.gz LIGOWPLFZUBSBL-UHFFFAOYSA-N -1 3 396.487 3.067 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCCCO2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000153229460 1422405466 /nfs/dbraw/zinc/40/54/66/1422405466.db2.gz SNIDPDWKDLXKPV-QGZVFWFLSA-N -1 3 392.452 3.443 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cc(C)ccc3F)c2)n1 ZINC000153259410 1422424492 /nfs/dbraw/zinc/42/44/92/1422424492.db2.gz SLEYDNVEMSEJPV-UHFFFAOYSA-N -1 3 381.407 3.464 20 0 GGADHM O=C([N-]OCc1cccnc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000153259348 1422425175 /nfs/dbraw/zinc/42/51/75/1422425175.db2.gz QWHDHQPEANAFPI-GOSISDBHSA-N -1 3 379.382 3.084 20 0 GGADHM COCCn1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c2ccccc21 ZINC000179777156 1429556672 /nfs/dbraw/zinc/55/66/72/1429556672.db2.gz DGMDZLYVMYFYON-UHFFFAOYSA-N -1 3 392.415 3.203 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nn1-c1ccc(C)cc1 ZINC000179782277 1429560342 /nfs/dbraw/zinc/56/03/42/1429560342.db2.gz RAMPQTVJOVKCHI-UHFFFAOYSA-N -1 3 384.461 3.113 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000153331851 1422474327 /nfs/dbraw/zinc/47/43/27/1422474327.db2.gz YLAXWHBKQYXGDI-CYBMUJFWSA-N -1 3 392.880 3.061 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153469698 1422553698 /nfs/dbraw/zinc/55/36/98/1422553698.db2.gz APBIRPUQXOWFSN-UHFFFAOYSA-N -1 3 389.260 3.202 20 0 GGADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000153487964 1422565331 /nfs/dbraw/zinc/56/53/31/1422565331.db2.gz LPLQEUHAEMOJSL-INIZCTEOSA-N -1 3 380.423 3.207 20 0 GGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000153488097 1422566048 /nfs/dbraw/zinc/56/60/48/1422566048.db2.gz LPLQEUHAEMOJSL-MRXNPFEDSA-N -1 3 380.423 3.207 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000153610778 1422646799 /nfs/dbraw/zinc/64/67/99/1422646799.db2.gz QDIYWFIOLDSNID-CYBMUJFWSA-N -1 3 394.880 3.085 20 0 GGADHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153658933 1422685170 /nfs/dbraw/zinc/68/51/70/1422685170.db2.gz YPFDLUZLERDVQG-HNNXBMFYSA-N -1 3 381.354 3.199 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](NC(=O)OC(C)(C)C)C3CC3)nc2)n1 ZINC000153660121 1422685622 /nfs/dbraw/zinc/68/56/22/1422685622.db2.gz GDJYCSYLQUGXLK-INIZCTEOSA-N -1 3 399.495 3.110 20 0 GGADHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153659032 1422686005 /nfs/dbraw/zinc/68/60/05/1422686005.db2.gz YPFDLUZLERDVQG-OAHLLOKOSA-N -1 3 381.354 3.199 20 0 GGADHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153670933 1422696413 /nfs/dbraw/zinc/69/64/13/1422696413.db2.gz XTYAUGFNYLNLBY-INIZCTEOSA-N -1 3 378.350 3.323 20 0 GGADHM COc1ccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000153724007 1422723541 /nfs/dbraw/zinc/72/35/41/1422723541.db2.gz XJNRGOKVCSNNDN-OAHLLOKOSA-N -1 3 378.428 3.466 20 0 GGADHM COc1ccc(NC(=O)[C@H](C)O[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000153723906 1422724210 /nfs/dbraw/zinc/72/42/10/1422724210.db2.gz XJNRGOKVCSNNDN-HNNXBMFYSA-N -1 3 378.428 3.466 20 0 GGADHM Cc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1cc(C)ccc1C ZINC000153931794 1422813240 /nfs/dbraw/zinc/81/32/40/1422813240.db2.gz UJPKOUSZSXCCSY-UHFFFAOYSA-N -1 3 379.464 3.069 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000153950180 1422815729 /nfs/dbraw/zinc/81/57/29/1422815729.db2.gz COINVYVOWBLXRO-UHFFFAOYSA-N -1 3 392.546 3.435 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1C ZINC000153952800 1422816347 /nfs/dbraw/zinc/81/63/47/1422816347.db2.gz YAFLKRCIJIUAIV-UHFFFAOYSA-N -1 3 392.546 3.353 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000153958606 1422816911 /nfs/dbraw/zinc/81/69/11/1422816911.db2.gz BRNXJWHRHJOBLR-UHFFFAOYSA-N -1 3 397.748 3.483 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC000154018097 1422826567 /nfs/dbraw/zinc/82/65/67/1422826567.db2.gz CERILJUTGZUIFM-UHFFFAOYSA-N -1 3 377.351 3.288 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000154083750 1422837943 /nfs/dbraw/zinc/83/79/43/1422837943.db2.gz BOCIPIPYBSDCEU-UHFFFAOYSA-N -1 3 399.900 3.480 20 0 GGADHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000154147928 1422846901 /nfs/dbraw/zinc/84/69/01/1422846901.db2.gz WRCZJFXEEKRCQD-UHFFFAOYSA-N -1 3 379.309 3.186 20 0 GGADHM CC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(C(F)(F)F)c1 ZINC000154216454 1422856743 /nfs/dbraw/zinc/85/67/43/1422856743.db2.gz IZQLIHOMRKTDAZ-UHFFFAOYSA-N -1 3 379.298 3.294 20 0 GGADHM Cc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1OC1CCOCC1 ZINC000154282908 1422866577 /nfs/dbraw/zinc/86/65/77/1422866577.db2.gz MHAKZUJPSQWUFA-CPNJWEJPSA-N -1 3 378.428 3.276 20 0 GGADHM CC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1nccs1 ZINC000154313847 1422871300 /nfs/dbraw/zinc/87/13/00/1422871300.db2.gz FPGDGAQHRCMHSN-QGZVFWFLSA-N -1 3 399.513 3.024 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2nc3ccccc3s2)s1 ZINC000154330551 1422873588 /nfs/dbraw/zinc/87/35/88/1422873588.db2.gz BDLBZXNHRVNQHC-JTQLQIEISA-N -1 3 396.515 3.226 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccco1 ZINC000154371441 1422879638 /nfs/dbraw/zinc/87/96/38/1422879638.db2.gz BZJYRCVUUKXULP-GOSISDBHSA-N -1 3 375.450 3.134 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)[N-]NC(=O)Cc1ccc(Cl)cc1 ZINC000154653417 1422985136 /nfs/dbraw/zinc/98/51/36/1422985136.db2.gz MJAPBLDUFGXTEX-UHFFFAOYSA-N -1 3 380.835 3.109 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c1 ZINC000154687426 1423001762 /nfs/dbraw/zinc/00/17/62/1423001762.db2.gz IIIIWQZMABWHEP-UHFFFAOYSA-N -1 3 376.478 3.338 20 0 GGADHM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c1[O-] ZINC000154712002 1423008808 /nfs/dbraw/zinc/00/88/08/1423008808.db2.gz ZSWGLIAQFVDTET-UHFFFAOYSA-N -1 3 376.478 3.338 20 0 GGADHM NS(=O)(=O)Cc1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000154815602 1423043321 /nfs/dbraw/zinc/04/33/21/1423043321.db2.gz HGRVIUVAMAZPTD-UHFFFAOYSA-N -1 3 396.468 3.024 20 0 GGADHM c1ccc2c(c1)ccnc2CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826523047 1429609114 /nfs/dbraw/zinc/60/91/14/1429609114.db2.gz YOEJPAMITBKGDC-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM c1ccc2c(c1)ccnc2CN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826523047 1429609123 /nfs/dbraw/zinc/60/91/23/1429609123.db2.gz YOEJPAMITBKGDC-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(CS(C)(=O)=O)o3)s2)c(C)c1 ZINC000154881206 1423065572 /nfs/dbraw/zinc/06/55/72/1423065572.db2.gz VLLPDHLWYDJAJC-UHFFFAOYSA-N -1 3 391.474 3.212 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000179852004 1429610567 /nfs/dbraw/zinc/61/05/67/1429610567.db2.gz ZKAUXHBILHSAMC-IBGZPJMESA-N -1 3 388.427 3.459 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000154924260 1423081650 /nfs/dbraw/zinc/08/16/50/1423081650.db2.gz BTYMVJNRUVIIDA-WCQYABFASA-N -1 3 386.464 3.104 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000154944101 1423086802 /nfs/dbraw/zinc/08/68/02/1423086802.db2.gz YHWNMMLVRHOAMK-SFHVURJKSA-N -1 3 396.821 3.347 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c(=O)[n-]1 ZINC000154995318 1423103263 /nfs/dbraw/zinc/10/32/63/1423103263.db2.gz UYCAVMNZFYRHSJ-HXUWFJFHSA-N -1 3 379.435 3.169 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139855032 1429614007 /nfs/dbraw/zinc/61/40/07/1429614007.db2.gz RLQXOTUAYXANBO-NXHRZFHOSA-N -1 3 383.496 3.342 20 0 GGADHM CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000179867651 1429617103 /nfs/dbraw/zinc/61/71/03/1429617103.db2.gz IVKIBWFHUSDWBK-UHFFFAOYSA-N -1 3 383.897 3.350 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(F)cc2)n1 ZINC000179879343 1429621880 /nfs/dbraw/zinc/62/18/80/1429621880.db2.gz TZFODQJTVIQKNT-MRXNPFEDSA-N -1 3 392.390 3.290 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c[n-]c12 ZINC000155174203 1423213558 /nfs/dbraw/zinc/21/35/58/1423213558.db2.gz WZDLUZGAMHHEHS-UHFFFAOYSA-N -1 3 379.391 3.120 20 0 GGADHM c1ccc2c(c1)cccc2CCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738433346 1423272516 /nfs/dbraw/zinc/27/25/16/1423272516.db2.gz QLAJGLTXZGRLST-UHFFFAOYSA-N -1 3 399.502 3.170 20 0 GGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000155305943 1423309695 /nfs/dbraw/zinc/30/96/95/1423309695.db2.gz KIQZQXNWVNTWQG-UHFFFAOYSA-N -1 3 386.721 3.098 20 0 GGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000155305943 1423309709 /nfs/dbraw/zinc/30/97/09/1423309709.db2.gz KIQZQXNWVNTWQG-UHFFFAOYSA-N -1 3 386.721 3.098 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2coc(-c3ccccc3)n2)[n-]1 ZINC000155343461 1423325635 /nfs/dbraw/zinc/32/56/35/1423325635.db2.gz UFTLEBTZCUAHEA-AREMUKBSSA-N -1 3 383.351 3.305 20 0 GGADHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)nc(Cl)c2)C1=O ZINC000155350976 1423327920 /nfs/dbraw/zinc/32/79/20/1423327920.db2.gz AGCXOAVDWIJGSF-GOSISDBHSA-N -1 3 380.876 3.359 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000824763818 1423330318 /nfs/dbraw/zinc/33/03/18/1423330318.db2.gz PJAOIVAQKMAZTE-HZPDHXFCSA-N -1 3 380.471 3.446 20 0 GGADHM Cc1onc(-c2ccccn2)c1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000155389381 1423345006 /nfs/dbraw/zinc/34/50/06/1423345006.db2.gz MKDSZPSNHMKDGS-UHFFFAOYSA-N -1 3 388.383 3.323 20 0 GGADHM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1F ZINC000155405575 1423351373 /nfs/dbraw/zinc/35/13/73/1423351373.db2.gz HYEODVDRXXCXDC-UHFFFAOYSA-N -1 3 390.415 3.395 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(-c4nncn4C)c3)c[n-]c12 ZINC000155436376 1423362973 /nfs/dbraw/zinc/36/29/73/1423362973.db2.gz CKULGTGBEATORS-UHFFFAOYSA-N -1 3 377.379 3.023 20 0 GGADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1-c1cccc(Cl)c1 ZINC000179915059 1429638205 /nfs/dbraw/zinc/63/82/05/1429638205.db2.gz WPLFZFBMTKJBOR-OAHLLOKOSA-N -1 3 379.807 3.190 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000155567287 1423422806 /nfs/dbraw/zinc/42/28/06/1423422806.db2.gz PIVBFBVRRMKLCE-AWEZNQCLSA-N -1 3 380.444 3.154 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000155643575 1423464838 /nfs/dbraw/zinc/46/48/38/1423464838.db2.gz MIVDQAOWQKXJCU-UHFFFAOYSA-N -1 3 382.439 3.392 20 0 GGADHM Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155736220 1423509873 /nfs/dbraw/zinc/50/98/73/1423509873.db2.gz BBDGSRKHTGININ-ICSRJNTNSA-N -1 3 383.492 3.134 20 0 GGADHM CC(=O)N1CC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179932335 1429648512 /nfs/dbraw/zinc/64/85/12/1429648512.db2.gz IVGMRLSWSJKDAX-CYBMUJFWSA-N -1 3 381.457 3.476 20 0 GGADHM NC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nc1 ZINC000179932073 1429648543 /nfs/dbraw/zinc/64/85/43/1429648543.db2.gz NJANFJBLFMHHEQ-UHFFFAOYSA-N -1 3 390.424 3.415 20 0 GGADHM COc1ccc(CNCc2ccnc(Oc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000821818460 1423529952 /nfs/dbraw/zinc/52/99/52/1423529952.db2.gz RKYPHOXOXXWMFD-UHFFFAOYSA-N -1 3 388.431 3.352 20 0 GGADHM COc1ccc(CNCc2ccnc(Oc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000821818460 1423529955 /nfs/dbraw/zinc/52/99/55/1423529955.db2.gz RKYPHOXOXXWMFD-UHFFFAOYSA-N -1 3 388.431 3.352 20 0 GGADHM CCCn1c2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)n2c2ccccc2c1=O ZINC000155853586 1423562055 /nfs/dbraw/zinc/56/20/55/1423562055.db2.gz BHFAAWULZZGKAT-GFCCVEGCSA-N -1 3 396.476 3.112 20 0 GGADHM CCNC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155878944 1423573506 /nfs/dbraw/zinc/57/35/06/1423573506.db2.gz LJRIPODTYWQWEM-UHFFFAOYSA-N -1 3 382.395 3.369 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)ncn1 ZINC000155899533 1423584649 /nfs/dbraw/zinc/58/46/49/1423584649.db2.gz WLPNZALEJDEWIY-UHFFFAOYSA-N -1 3 396.472 3.455 20 0 GGADHM O=C(NCc1cccc(NC(=O)c2ccco2)c1)NCc1ccc([O-])c(F)c1 ZINC000156004936 1423631069 /nfs/dbraw/zinc/63/10/69/1423631069.db2.gz JFOVWVUKRIWWMC-UHFFFAOYSA-N -1 3 383.379 3.376 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000826183961 1423648624 /nfs/dbraw/zinc/64/86/24/1423648624.db2.gz GMWRUSZVBBOGND-FQEVSTJZSA-N -1 3 392.507 3.192 20 0 GGADHM CCCN(Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736479859 1423651567 /nfs/dbraw/zinc/65/15/67/1423651567.db2.gz KEYNABBFLLUXHD-CQSZACIVSA-N -1 3 382.443 3.245 20 0 GGADHM CCCN(Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736479859 1423651569 /nfs/dbraw/zinc/65/15/69/1423651569.db2.gz KEYNABBFLLUXHD-CQSZACIVSA-N -1 3 382.443 3.245 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCc4c3cccc4Cl)nc(=O)c2c1C ZINC000156068637 1423659426 /nfs/dbraw/zinc/65/94/26/1423659426.db2.gz COHQSBXWKGZAQW-UHFFFAOYSA-N -1 3 389.864 3.296 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](OCC)C3)nc(=O)c2c1C ZINC000156095968 1423670630 /nfs/dbraw/zinc/67/06/30/1423670630.db2.gz VLCAXRUTXBTHGB-QWHCGFSZSA-N -1 3 393.509 3.032 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)N[N-]C(=O)c3ccc(Cl)cc3Cl)c21 ZINC000179954542 1429661498 /nfs/dbraw/zinc/66/14/98/1429661498.db2.gz DAEDIWYAQKGNBX-UHFFFAOYSA-N -1 3 392.242 3.487 20 0 GGADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179960383 1429663520 /nfs/dbraw/zinc/66/35/20/1429663520.db2.gz PABUQCBFPMPOBY-UWVGGRQHSA-N -1 3 385.960 3.052 20 0 GGADHM C[C@@H](N[C@H](CO)c1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824531058 1423701305 /nfs/dbraw/zinc/70/13/05/1423701305.db2.gz OGRZVINBBPTPFK-BDJLRTHQSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@@H](N[C@H](CO)c1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824531058 1423701307 /nfs/dbraw/zinc/70/13/07/1423701307.db2.gz OGRZVINBBPTPFK-BDJLRTHQSA-N -1 3 388.269 3.013 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1F ZINC000156184872 1423711535 /nfs/dbraw/zinc/71/15/35/1423711535.db2.gz HKKKHQWMWLEAKH-UHFFFAOYSA-N -1 3 394.468 3.486 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3ccc(O)cc3)c2)n1 ZINC000156186870 1423712564 /nfs/dbraw/zinc/71/25/64/1423712564.db2.gz MOPCLXSFTWMBHI-UHFFFAOYSA-N -1 3 381.457 3.436 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)cc1C ZINC000156204031 1423723824 /nfs/dbraw/zinc/72/38/24/1423723824.db2.gz CUGGEPGDWIZQCU-UHFFFAOYSA-N -1 3 376.478 3.265 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)cc1 ZINC000156206215 1423725209 /nfs/dbraw/zinc/72/52/09/1423725209.db2.gz KEJBITNKYJWGSQ-UHFFFAOYSA-N -1 3 376.478 3.347 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000156211528 1423727629 /nfs/dbraw/zinc/72/76/29/1423727629.db2.gz ABFKMIRXONCKNN-HNNXBMFYSA-N -1 3 394.855 3.016 20 0 GGADHM O=C(N[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1)c1ccccc1 ZINC000156219756 1423732835 /nfs/dbraw/zinc/73/28/35/1423732835.db2.gz YHPSJCDZTSZKFW-FQEVSTJZSA-N -1 3 378.403 3.319 20 0 GGADHM Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccc([O-])c(F)c3)C2)c1 ZINC000156224072 1423733498 /nfs/dbraw/zinc/73/34/98/1423733498.db2.gz OYFLNEBQBLPKRZ-INIZCTEOSA-N -1 3 385.439 3.400 20 0 GGADHM Cc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1NC(=O)c1ccncc1 ZINC000156225662 1423734755 /nfs/dbraw/zinc/73/47/55/1423734755.db2.gz ULOOOLWAIFIKQP-UHFFFAOYSA-N -1 3 379.391 3.417 20 0 GGADHM CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156244429 1423740474 /nfs/dbraw/zinc/74/04/74/1423740474.db2.gz XHZNFYBZHQWJQF-KRWDZBQOSA-N -1 3 390.480 3.008 20 0 GGADHM CC(C)NC(=O)CSc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156258433 1423746760 /nfs/dbraw/zinc/74/67/60/1423746760.db2.gz PTPOLPGWAJROGK-UHFFFAOYSA-N -1 3 376.453 3.078 20 0 GGADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179971675 1429668735 /nfs/dbraw/zinc/66/87/35/1429668735.db2.gz REKZLXDHBRZGEL-UHFFFAOYSA-N -1 3 387.976 3.300 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000156294951 1423762065 /nfs/dbraw/zinc/76/20/65/1423762065.db2.gz AMZKZLGFTOZVGM-PDGQHHTCSA-N -1 3 380.375 3.212 20 0 GGADHM CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825068313 1423765910 /nfs/dbraw/zinc/76/59/10/1423765910.db2.gz QCNBFAJUHPZKPU-CABCVRRESA-N -1 3 378.480 3.246 20 0 GGADHM CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825068313 1423765913 /nfs/dbraw/zinc/76/59/13/1423765913.db2.gz QCNBFAJUHPZKPU-CABCVRRESA-N -1 3 378.480 3.246 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000156307528 1423769007 /nfs/dbraw/zinc/76/90/07/1423769007.db2.gz AICAOFAKCUIWNK-UHFFFAOYSA-N -1 3 398.291 3.200 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825425066 1423794574 /nfs/dbraw/zinc/79/45/74/1423794574.db2.gz ZOBFHTVAJVVQCK-UHFFFAOYSA-N -1 3 392.257 3.123 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825425066 1423794580 /nfs/dbraw/zinc/79/45/80/1423794580.db2.gz ZOBFHTVAJVVQCK-UHFFFAOYSA-N -1 3 392.257 3.123 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000156378766 1423801927 /nfs/dbraw/zinc/80/19/27/1423801927.db2.gz ALGCLNIKIAXZHX-AWEZNQCLSA-N -1 3 389.260 3.037 20 0 GGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000156387217 1423803186 /nfs/dbraw/zinc/80/31/86/1423803186.db2.gz CEVZQVOHTLBSPD-UHFFFAOYSA-N -1 3 396.346 3.240 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)c(C)c1C ZINC000156387843 1423803697 /nfs/dbraw/zinc/80/36/97/1423803697.db2.gz WRGNVZBIRGHFNV-UHFFFAOYSA-N -1 3 387.505 3.471 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)c(C)o1 ZINC000156421238 1423808539 /nfs/dbraw/zinc/80/85/39/1423808539.db2.gz MMDDKOALDGOJAF-KRWDZBQOSA-N -1 3 390.505 3.124 20 0 GGADHM CN(C(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1)c1ccccc1 ZINC000156426740 1423809220 /nfs/dbraw/zinc/80/92/20/1423809220.db2.gz QELQTMJBFVOGQC-IBGZPJMESA-N -1 3 398.422 3.319 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(C)C ZINC000156457125 1423812722 /nfs/dbraw/zinc/81/27/22/1423812722.db2.gz ZOJCYZULFXKGMQ-OAHLLOKOSA-N -1 3 379.453 3.330 20 0 GGADHM COC(=O)Nc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156542814 1423825688 /nfs/dbraw/zinc/82/56/88/1423825688.db2.gz BQNOBFPVKNTAQA-UHFFFAOYSA-N -1 3 379.210 3.263 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(NC(=O)C4CC4)cc3)c2)n1 ZINC000156594145 1423833428 /nfs/dbraw/zinc/83/34/28/1423833428.db2.gz SFOOCCPQZYBAQD-UHFFFAOYSA-N -1 3 389.411 3.313 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)cc1OC ZINC000156694574 1423849316 /nfs/dbraw/zinc/84/93/16/1423849316.db2.gz MZRRTOHLOQEIHD-ZDUSSCGKSA-N -1 3 394.468 3.413 20 0 GGADHM CN(C)C(=O)Sc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821612241 1429677754 /nfs/dbraw/zinc/67/77/54/1429677754.db2.gz OHGLIFSDSSEGGN-UHFFFAOYSA-N -1 3 382.493 3.272 20 0 GGADHM CN(C)C(=O)Sc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821612241 1429677759 /nfs/dbraw/zinc/67/77/59/1429677759.db2.gz OHGLIFSDSSEGGN-UHFFFAOYSA-N -1 3 382.493 3.272 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000156762711 1423860548 /nfs/dbraw/zinc/86/05/48/1423860548.db2.gz NKQPBLNLLSIESA-OAHLLOKOSA-N -1 3 385.439 3.068 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000156814320 1423868662 /nfs/dbraw/zinc/86/86/62/1423868662.db2.gz BPQITOFDTGQNIJ-HNNXBMFYSA-N -1 3 386.879 3.209 20 0 GGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000156814877 1423869430 /nfs/dbraw/zinc/86/94/30/1423869430.db2.gz HAJPOROJAXUPCC-OAHLLOKOSA-N -1 3 386.879 3.209 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000156846103 1423874800 /nfs/dbraw/zinc/87/48/00/1423874800.db2.gz SUZCJFIRJUKWIJ-UHFFFAOYSA-N -1 3 378.428 3.309 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NNc1ccc(Br)cc1F ZINC000156852302 1423875199 /nfs/dbraw/zinc/87/51/99/1423875199.db2.gz GOKVNWVSQNBGDS-UHFFFAOYSA-N -1 3 397.248 3.034 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)on1 ZINC000157120885 1423931143 /nfs/dbraw/zinc/93/11/43/1423931143.db2.gz NLHGTHSGYKNAPI-UHFFFAOYSA-N -1 3 393.443 3.439 20 0 GGADHM O=C(NCc1nnc2n1CCCCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157174580 1423945260 /nfs/dbraw/zinc/94/52/60/1423945260.db2.gz YPAXDMDOAWXBBU-UHFFFAOYSA-N -1 3 378.432 3.432 20 0 GGADHM CC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1Br ZINC000180004662 1429686126 /nfs/dbraw/zinc/68/61/26/1429686126.db2.gz UYAOYVKOYXTXQT-UHFFFAOYSA-N -1 3 397.225 3.463 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000157230987 1423961863 /nfs/dbraw/zinc/96/18/63/1423961863.db2.gz LJMSEHHNRFZDLI-GOSISDBHSA-N -1 3 377.437 3.432 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)NN=c1[n-]c(Br)cn2ccnc12 ZINC000157252417 1423966956 /nfs/dbraw/zinc/96/69/56/1423966956.db2.gz SFGXVHDVNMWFDV-UHFFFAOYSA-N -1 3 380.633 3.211 20 0 GGADHM Cc1nc(N2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)sc1C ZINC000157480931 1424020308 /nfs/dbraw/zinc/02/03/08/1424020308.db2.gz SHPGLXSHHLCTQJ-UHFFFAOYSA-N -1 3 385.489 3.203 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2nc(C)cs2)CCCC1 ZINC000157522885 1424029511 /nfs/dbraw/zinc/02/95/11/1424029511.db2.gz XXZQTNDEJJOXRY-UHFFFAOYSA-N -1 3 398.481 3.125 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1c(C)noc1C ZINC000157567600 1424039974 /nfs/dbraw/zinc/03/99/74/1424039974.db2.gz CDHQEDKJIBIAGC-JTQLQIEISA-N -1 3 394.474 3.332 20 0 GGADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157621626 1424051405 /nfs/dbraw/zinc/05/14/05/1424051405.db2.gz CFJPEKQSKUXCKW-UHFFFAOYSA-N -1 3 386.395 3.050 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1F ZINC000180017829 1429694481 /nfs/dbraw/zinc/69/44/81/1429694481.db2.gz PJIRITKVNSSTRN-UHFFFAOYSA-N -1 3 390.358 3.227 20 0 GGADHM CC[C@H](NCCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000825140597 1424058385 /nfs/dbraw/zinc/05/83/85/1424058385.db2.gz KXWVQXRGYQPQOA-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM CC[C@H](NCCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000825140597 1424058388 /nfs/dbraw/zinc/05/83/88/1424058388.db2.gz KXWVQXRGYQPQOA-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM Cc1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)c(O[C@@H](C)CC(C)C)c1 ZINC000157728693 1424075975 /nfs/dbraw/zinc/07/59/75/1424075975.db2.gz ONHAYJRLGAFYFA-HNNXBMFYSA-N -1 3 385.508 3.367 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4cnn(C(C)C)c4nc3C)nc21 ZINC000157764239 1424083061 /nfs/dbraw/zinc/08/30/61/1424083061.db2.gz FYQOTINMDXNPRP-UHFFFAOYSA-N -1 3 392.419 3.236 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3csc(-c4ccccn4)n3)nc21 ZINC000157797157 1424090521 /nfs/dbraw/zinc/09/05/21/1424090521.db2.gz FMGHUOFVPABFHY-UHFFFAOYSA-N -1 3 393.428 3.049 20 0 GGADHM COc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1-c1nn[n-]n1 ZINC000826202533 1424094242 /nfs/dbraw/zinc/09/42/42/1424094242.db2.gz CTACZOLZISGGIU-LJQANCHMSA-N -1 3 391.475 3.368 20 0 GGADHM COc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1-c1nnn[n-]1 ZINC000826202533 1424094247 /nfs/dbraw/zinc/09/42/47/1424094247.db2.gz CTACZOLZISGGIU-LJQANCHMSA-N -1 3 391.475 3.368 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H](CC)C3)c2)n1 ZINC000157876062 1424109603 /nfs/dbraw/zinc/10/96/03/1424109603.db2.gz CLWRYFNIEOKTNN-YOEHRIQHSA-N -1 3 396.491 3.023 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H](CC)C3)c2)n1 ZINC000157876381 1424109705 /nfs/dbraw/zinc/10/97/05/1424109705.db2.gz CLWRYFNIEOKTNN-PBHICJAKSA-N -1 3 396.491 3.023 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)SC ZINC000157906957 1424116828 /nfs/dbraw/zinc/11/68/28/1424116828.db2.gz VXGOVZIQHMUCNX-SSDOTTSWSA-N -1 3 388.736 3.141 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(C)c3)ccc21 ZINC000157907296 1424117079 /nfs/dbraw/zinc/11/70/79/1424117079.db2.gz VLKBFPVJENUBNZ-UHFFFAOYSA-N -1 3 388.489 3.492 20 0 GGADHM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000157936753 1424123740 /nfs/dbraw/zinc/12/37/40/1424123740.db2.gz IBHHKEAAZJSITD-UHFFFAOYSA-N -1 3 388.427 3.486 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC(C)(C)C ZINC000157944067 1424126053 /nfs/dbraw/zinc/12/60/53/1424126053.db2.gz MSCXDECBURXMEF-YOEHRIQHSA-N -1 3 392.521 3.411 20 0 GGADHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000158053877 1424150456 /nfs/dbraw/zinc/15/04/56/1424150456.db2.gz GDSVDFHTPLMZIT-HNNXBMFYSA-N -1 3 389.839 3.348 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccc(F)c(C)c2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826262535 1424153156 /nfs/dbraw/zinc/15/31/56/1424153156.db2.gz RIHMFTYYDQRQFN-SFHVURJKSA-N -1 3 398.442 3.203 20 0 GGADHM CCCN1CCC[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736480299 1424171304 /nfs/dbraw/zinc/17/13/04/1424171304.db2.gz KAHNSFUWRAMJSQ-MRXNPFEDSA-N -1 3 396.520 3.086 20 0 GGADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000158150174 1424180171 /nfs/dbraw/zinc/18/01/71/1424180171.db2.gz IHTXUDUTEONEBA-IUCAKERBSA-N -1 3 396.353 3.363 20 0 GGADHM Cc1cccc(CN2CCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)CC2)c1 ZINC000737393857 1429706961 /nfs/dbraw/zinc/70/69/61/1429706961.db2.gz NHDZGYUBEDMMFM-UHFFFAOYSA-N -1 3 399.502 3.354 20 0 GGADHM Cc1cccc(CN2CCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)CC2)c1 ZINC000737393857 1429706964 /nfs/dbraw/zinc/70/69/64/1429706964.db2.gz NHDZGYUBEDMMFM-UHFFFAOYSA-N -1 3 399.502 3.354 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCCc3cccc(F)c3)[n-]c(=O)c21 ZINC000180041393 1429709121 /nfs/dbraw/zinc/70/91/21/1429709121.db2.gz FMYIVWHVBHGOFX-UHFFFAOYSA-N -1 3 387.436 3.277 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)c1F ZINC000158371526 1424239182 /nfs/dbraw/zinc/23/91/82/1424239182.db2.gz WAGVSLVVCUJOLF-UHFFFAOYSA-N -1 3 395.427 3.053 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(Cl)n(C)nc3C(C)C)nc21 ZINC000158415186 1424249227 /nfs/dbraw/zinc/24/92/27/1424249227.db2.gz XWKORTYKDKQRNM-UHFFFAOYSA-N -1 3 375.816 3.112 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)c4ccccc4oc3=O)nc21 ZINC000158419833 1424250038 /nfs/dbraw/zinc/25/00/38/1424250038.db2.gz JNJMHCSADCLMGR-UHFFFAOYSA-N -1 3 377.356 3.017 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(-c4cc(C)on4)c3C)nc21 ZINC000158426340 1424251205 /nfs/dbraw/zinc/25/12/05/1424251205.db2.gz QROFWTKVWUTEHH-UHFFFAOYSA-N -1 3 393.403 3.306 20 0 GGADHM Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822323254 1424344636 /nfs/dbraw/zinc/34/46/36/1424344636.db2.gz BJYLRVNGGJNYLC-ZDUSSCGKSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822323254 1424344640 /nfs/dbraw/zinc/34/46/40/1424344640.db2.gz BJYLRVNGGJNYLC-ZDUSSCGKSA-N -1 3 382.443 3.130 20 0 GGADHM CCC[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000180065085 1429721207 /nfs/dbraw/zinc/72/12/07/1429721207.db2.gz LWBPYRIWUXFZKT-RTWAWAEBSA-N -1 3 396.487 3.281 20 0 GGADHM CC[C@@](C)(NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1nc(C)cs1 ZINC000180065549 1429721739 /nfs/dbraw/zinc/72/17/39/1429721739.db2.gz VAEPCFVXEISOGV-LJQANCHMSA-N -1 3 375.494 3.027 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(F)c(I)c(F)c1 ZINC000158943047 1424378092 /nfs/dbraw/zinc/37/80/92/1424378092.db2.gz WLKQXGAXPMQXBA-SNVBAGLBSA-N -1 3 398.147 3.149 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(F)c(I)c(F)c1 ZINC000158943047 1424378101 /nfs/dbraw/zinc/37/81/01/1424378101.db2.gz WLKQXGAXPMQXBA-SNVBAGLBSA-N -1 3 398.147 3.149 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(C)cc4)CCOCC3)nc21 ZINC000159282312 1424472106 /nfs/dbraw/zinc/47/21/06/1424472106.db2.gz OZAKIHUYRQCMQT-UHFFFAOYSA-N -1 3 393.443 3.345 20 0 GGADHM CCCn1cc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cn1 ZINC000180081852 1429728879 /nfs/dbraw/zinc/72/88/79/1429728879.db2.gz MFZOFFKVDRDBAB-UHFFFAOYSA-N -1 3 399.476 3.197 20 0 GGADHM O=S(=O)([N-]CC1([C@H](O)c2ccccc2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000159310478 1424481297 /nfs/dbraw/zinc/48/12/97/1424481297.db2.gz SVAVLDCTROUNBL-CQSZACIVSA-N -1 3 387.288 3.181 20 0 GGADHM CCCCOC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000159328898 1424486658 /nfs/dbraw/zinc/48/66/58/1424486658.db2.gz CLDHOYMNTCORBK-CYBMUJFWSA-N -1 3 382.888 3.428 20 0 GGADHM O=C(N[C@H]1CCCc2sccc21)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000160392501 1424600215 /nfs/dbraw/zinc/60/02/15/1424600215.db2.gz LXUWRGVJLAEQER-HNNXBMFYSA-N -1 3 394.493 3.135 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)n[n-]2)o1 ZINC000160406550 1424602319 /nfs/dbraw/zinc/60/23/19/1424602319.db2.gz SFFASUIFZBKPNI-GFCCVEGCSA-N -1 3 375.429 3.101 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3sccc32)ccc1F ZINC000160483002 1424607646 /nfs/dbraw/zinc/60/76/46/1424607646.db2.gz OGAAQNJAMLGHNS-OAHLLOKOSA-N -1 3 396.509 3.381 20 0 GGADHM COc1cc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC(=O)C1CC1 ZINC000826179398 1424609919 /nfs/dbraw/zinc/60/99/19/1424609919.db2.gz MUMSIIMOMJGTKY-CYBMUJFWSA-N -1 3 393.447 3.042 20 0 GGADHM COc1cc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(=O)C1CC1 ZINC000826179398 1424609923 /nfs/dbraw/zinc/60/99/23/1424609923.db2.gz MUMSIIMOMJGTKY-CYBMUJFWSA-N -1 3 393.447 3.042 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000820727928 1424633447 /nfs/dbraw/zinc/63/34/47/1424633447.db2.gz QTSJTTCZJJCMNA-XOKHGSTOSA-N -1 3 379.468 3.317 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000161574440 1424715491 /nfs/dbraw/zinc/71/54/91/1424715491.db2.gz MPNCWBLLHJBHKF-ZDUSSCGKSA-N -1 3 399.312 3.135 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1F ZINC000161586815 1424718002 /nfs/dbraw/zinc/71/80/02/1424718002.db2.gz FPYGENXGRGHPKO-CQSZACIVSA-N -1 3 395.349 3.304 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)s1 ZINC000826282675 1424745023 /nfs/dbraw/zinc/74/50/23/1424745023.db2.gz AGLHCXGCFKFMBX-CJNGLKHVSA-N -1 3 382.493 3.083 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)s1 ZINC000826282675 1424745026 /nfs/dbraw/zinc/74/50/26/1424745026.db2.gz AGLHCXGCFKFMBX-CJNGLKHVSA-N -1 3 382.493 3.083 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825220828 1424773165 /nfs/dbraw/zinc/77/31/65/1424773165.db2.gz WZETZAVGTJZYLI-DYVFJYSZSA-N -1 3 396.520 3.115 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825220828 1424773175 /nfs/dbraw/zinc/77/31/75/1424773175.db2.gz WZETZAVGTJZYLI-DYVFJYSZSA-N -1 3 396.520 3.115 20 0 GGADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000161899835 1424791303 /nfs/dbraw/zinc/79/13/03/1424791303.db2.gz JNJKSNOAABUPCR-UHFFFAOYSA-N -1 3 380.425 3.376 20 0 GGADHM CC1(C)C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000162140045 1424819415 /nfs/dbraw/zinc/81/94/15/1424819415.db2.gz GBUSMIRBTWQHBM-QUCCMNQESA-N -1 3 396.487 3.327 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825406447 1424845625 /nfs/dbraw/zinc/84/56/25/1424845625.db2.gz OHTVNRXRPMTNCQ-CQSZACIVSA-N -1 3 396.470 3.339 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825406447 1424845630 /nfs/dbraw/zinc/84/56/30/1424845630.db2.gz OHTVNRXRPMTNCQ-CQSZACIVSA-N -1 3 396.470 3.339 20 0 GGADHM CSc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821984822 1424849633 /nfs/dbraw/zinc/84/96/33/1424849633.db2.gz ULPSGXQTKOSVCF-STQMWFEESA-N -1 3 382.493 3.266 20 0 GGADHM CSc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821984822 1424849637 /nfs/dbraw/zinc/84/96/37/1424849637.db2.gz ULPSGXQTKOSVCF-STQMWFEESA-N -1 3 382.493 3.266 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]nc3-c3ccccc3F)nc21 ZINC000162448951 1424853441 /nfs/dbraw/zinc/85/34/41/1424853441.db2.gz SDDGGJOFWLRTEO-UHFFFAOYSA-N -1 3 379.351 3.131 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(-c4ccccn4)s3)nc21 ZINC000162474280 1424856826 /nfs/dbraw/zinc/85/68/26/1424856826.db2.gz UDJORMHTABUWDO-UHFFFAOYSA-N -1 3 379.401 3.120 20 0 GGADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)[C@H]1CCSC1 ZINC000162524742 1424861675 /nfs/dbraw/zinc/86/16/75/1424861675.db2.gz KPYNUMXDPOLXKG-AWEZNQCLSA-N -1 3 394.493 3.204 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000824545399 1429760204 /nfs/dbraw/zinc/76/02/04/1429760204.db2.gz CGUNUVMEROOXJD-FZKQIMNGSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000824545399 1429760209 /nfs/dbraw/zinc/76/02/09/1429760209.db2.gz CGUNUVMEROOXJD-FZKQIMNGSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000824562667 1424878101 /nfs/dbraw/zinc/87/81/01/1424878101.db2.gz IDQQHNNROBPEEQ-OAHLLOKOSA-N -1 3 399.458 3.218 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@@H]1CNC(=O)OC(C)(C)C ZINC000162801940 1424891381 /nfs/dbraw/zinc/89/13/81/1424891381.db2.gz XIJPHVYJUPVXJL-RDTXWAMCSA-N -1 3 399.491 3.294 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H]1CNC(=O)OC(C)(C)C ZINC000162802168 1424891419 /nfs/dbraw/zinc/89/14/19/1424891419.db2.gz XIJPHVYJUPVXJL-KDOFPFPSSA-N -1 3 399.491 3.294 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cc(C)cc(C)c3)c2)n1 ZINC000162866596 1424897793 /nfs/dbraw/zinc/89/77/93/1424897793.db2.gz AGBYCRNSXYMDEK-UHFFFAOYSA-N -1 3 390.443 3.193 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@H]4CCC[C@@H]4C3)cs2)c1 ZINC000180151529 1429763053 /nfs/dbraw/zinc/76/30/53/1429763053.db2.gz VGUDEXRFXUEJRB-ZIAGYGMSSA-N -1 3 385.489 3.210 20 0 GGADHM COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c([O-])c1 ZINC000162938997 1424909768 /nfs/dbraw/zinc/90/97/68/1424909768.db2.gz VBHGAAOBFXSVQN-UHFFFAOYSA-N -1 3 380.366 3.382 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000163003855 1424921856 /nfs/dbraw/zinc/92/18/56/1424921856.db2.gz PXKYLJWEGQIQHC-UHFFFAOYSA-N -1 3 391.445 3.356 20 0 GGADHM Brc1ccc2c(c1)CC[C@@H]2NCc1cc(-c2nnn[n-]2)cs1 ZINC000819689051 1424945635 /nfs/dbraw/zinc/94/56/35/1424945635.db2.gz SYSPFKDHRTYBOE-AWEZNQCLSA-N -1 3 376.283 3.468 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000735561526 1424953423 /nfs/dbraw/zinc/95/34/23/1424953423.db2.gz LHIZZOSSZIKBHM-FUHWJXTLSA-N -1 3 390.491 3.148 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000735561526 1424953424 /nfs/dbraw/zinc/95/34/24/1424953424.db2.gz LHIZZOSSZIKBHM-FUHWJXTLSA-N -1 3 390.491 3.148 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@@H](C)C1 ZINC000163180942 1424955477 /nfs/dbraw/zinc/95/54/77/1424955477.db2.gz YGRDJVSPGKOITF-KBPBESRZSA-N -1 3 393.484 3.463 20 0 GGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1 ZINC000180156039 1429767783 /nfs/dbraw/zinc/76/77/83/1429767783.db2.gz GJGFZSVAHJENIA-UHFFFAOYSA-N -1 3 390.505 3.107 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000163454796 1425001646 /nfs/dbraw/zinc/00/16/46/1425001646.db2.gz XCDXVSKYMNIJBY-OAHLLOKOSA-N -1 3 396.242 3.425 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737648655 1425013284 /nfs/dbraw/zinc/01/32/84/1425013284.db2.gz INXLYSGZICINFW-LLVKDONJSA-N -1 3 395.364 3.127 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737648655 1425013293 /nfs/dbraw/zinc/01/32/93/1425013293.db2.gz INXLYSGZICINFW-LLVKDONJSA-N -1 3 395.364 3.127 20 0 GGADHM O=C(Nc1cccc(CNC(=O)c2cccc3n[n-]nc32)c1)c1ccc(F)cc1 ZINC000163560150 1425018302 /nfs/dbraw/zinc/01/83/02/1425018302.db2.gz DJDFESDJYMSXQK-UHFFFAOYSA-N -1 3 389.390 3.279 20 0 GGADHM Cc1cccc(NC(=O)C[C@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000826299103 1425024219 /nfs/dbraw/zinc/02/42/19/1425024219.db2.gz QYLATTKPZGOSJN-ZDUSSCGKSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1cccc(NC(=O)C[C@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000826299103 1425024226 /nfs/dbraw/zinc/02/42/26/1425024226.db2.gz QYLATTKPZGOSJN-ZDUSSCGKSA-N -1 3 382.443 3.130 20 0 GGADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000163660871 1425030220 /nfs/dbraw/zinc/03/02/20/1425030220.db2.gz KKACZXDUQUKONI-MRXNPFEDSA-N -1 3 391.830 3.132 20 0 GGADHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163688901 1425033726 /nfs/dbraw/zinc/03/37/26/1425033726.db2.gz WFSKERGEORNJQS-KRWDZBQOSA-N -1 3 388.439 3.431 20 0 GGADHM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163704922 1425036235 /nfs/dbraw/zinc/03/62/35/1425036235.db2.gz KTDHJYSTBLSPJH-UHFFFAOYSA-N -1 3 389.402 3.231 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000163740398 1425039784 /nfs/dbraw/zinc/03/97/84/1425039784.db2.gz HGUCUKSNFAKJGL-UHFFFAOYSA-N -1 3 377.847 3.212 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000163753341 1425041145 /nfs/dbraw/zinc/04/11/45/1425041145.db2.gz ADZWGNUOSUBZSZ-MRXNPFEDSA-N -1 3 379.476 3.149 20 0 GGADHM COc1ccccc1OCCN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826220976 1425046983 /nfs/dbraw/zinc/04/69/83/1425046983.db2.gz IZOJKQRQKMVSEQ-UHFFFAOYSA-N -1 3 377.448 3.043 20 0 GGADHM COc1ccccc1OCCN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826220976 1425046992 /nfs/dbraw/zinc/04/69/92/1425046992.db2.gz IZOJKQRQKMVSEQ-UHFFFAOYSA-N -1 3 377.448 3.043 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000163966928 1425063187 /nfs/dbraw/zinc/06/31/87/1425063187.db2.gz WPKFOWPCDKMAJX-UHFFFAOYSA-N -1 3 382.445 3.076 20 0 GGADHM Cc1ccc(-c2n[nH]cc2CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000826273401 1425079469 /nfs/dbraw/zinc/07/94/69/1425079469.db2.gz BXVXWDNSJGURTG-UHFFFAOYSA-N -1 3 375.436 3.323 20 0 GGADHM Cc1ccc(-c2n[nH]cc2CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000826273401 1425079476 /nfs/dbraw/zinc/07/94/76/1425079476.db2.gz BXVXWDNSJGURTG-UHFFFAOYSA-N -1 3 375.436 3.323 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824505518 1425116732 /nfs/dbraw/zinc/11/67/32/1425116732.db2.gz FIWKTSLQZZUMFY-LBPRGKRZSA-N -1 3 392.529 3.053 20 0 GGADHM CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc21 ZINC000823972721 1425124653 /nfs/dbraw/zinc/12/46/53/1425124653.db2.gz FUGOIOVTUTZDKC-KZULUSFZSA-N -1 3 380.427 3.154 20 0 GGADHM CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc21 ZINC000823972721 1425124656 /nfs/dbraw/zinc/12/46/56/1425124656.db2.gz FUGOIOVTUTZDKC-KZULUSFZSA-N -1 3 380.427 3.154 20 0 GGADHM O=C([N-]NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000164607661 1425128402 /nfs/dbraw/zinc/12/84/02/1425128402.db2.gz BCFGKXYYTRGDRI-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 ZINC000164607661 1425128416 /nfs/dbraw/zinc/12/84/16/1425128416.db2.gz BCFGKXYYTRGDRI-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM CCc1cc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)ccc1C ZINC000164611259 1425128545 /nfs/dbraw/zinc/12/85/45/1425128545.db2.gz ATKVFIQWDLRPOS-UHFFFAOYSA-N -1 3 394.258 3.264 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1 ZINC000164664700 1425133113 /nfs/dbraw/zinc/13/31/13/1425133113.db2.gz FRRHKTCBDDMMMI-UHFFFAOYSA-N -1 3 388.445 3.476 20 0 GGADHM CN1CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000826029466 1425147636 /nfs/dbraw/zinc/14/76/36/1425147636.db2.gz SLGHRWDDTAQAJQ-DLBZAZTESA-N -1 3 397.870 3.087 20 0 GGADHM CN1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000826029466 1425147639 /nfs/dbraw/zinc/14/76/39/1425147639.db2.gz SLGHRWDDTAQAJQ-DLBZAZTESA-N -1 3 397.870 3.087 20 0 GGADHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)no1 ZINC000164957317 1425153217 /nfs/dbraw/zinc/15/32/17/1425153217.db2.gz CDYXKVXWRXMNQR-SECBINFHSA-N -1 3 380.495 3.325 20 0 GGADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000165258155 1425172598 /nfs/dbraw/zinc/17/25/98/1425172598.db2.gz WHHUNEXUDRMIMO-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM Cc1nccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1Cl ZINC000165281287 1425173386 /nfs/dbraw/zinc/17/33/86/1425173386.db2.gz OLHQWTXIQWQVBC-UHFFFAOYSA-N -1 3 397.859 3.219 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824618220 1425207127 /nfs/dbraw/zinc/20/71/27/1425207127.db2.gz NIEYVJCWPZXQAZ-AWEZNQCLSA-N -1 3 376.464 3.456 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618220 1425207135 /nfs/dbraw/zinc/20/71/35/1425207135.db2.gz NIEYVJCWPZXQAZ-AWEZNQCLSA-N -1 3 376.464 3.456 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c(C)o1 ZINC000166941018 1425219429 /nfs/dbraw/zinc/21/94/29/1425219429.db2.gz SRFPLGRHAYEEBO-UHFFFAOYSA-N -1 3 395.330 3.011 20 0 GGADHM C[C@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824530728 1425240070 /nfs/dbraw/zinc/24/00/70/1425240070.db2.gz MXHHAYHQPRMCIW-MEDUHNTESA-N -1 3 377.370 3.270 20 0 GGADHM C[C@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824530728 1425240076 /nfs/dbraw/zinc/24/00/76/1425240076.db2.gz MXHHAYHQPRMCIW-MEDUHNTESA-N -1 3 377.370 3.270 20 0 GGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000169877543 1425260086 /nfs/dbraw/zinc/26/00/86/1425260086.db2.gz LWRZQNHICPEBBN-UHFFFAOYSA-N -1 3 392.377 3.446 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000169861033 1425260325 /nfs/dbraw/zinc/26/03/25/1425260325.db2.gz HZLGFLYTGNIVCV-UHFFFAOYSA-N -1 3 394.471 3.085 20 0 GGADHM C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824554511 1425264177 /nfs/dbraw/zinc/26/41/77/1425264177.db2.gz PXQKGGZSCBUIGD-ZIAGYGMSSA-N -1 3 398.898 3.390 20 0 GGADHM CC(C)OC(=O)C[C@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824304626 1425269483 /nfs/dbraw/zinc/26/94/83/1425269483.db2.gz DFZCIGAXCNKLIV-SFHVURJKSA-N -1 3 383.427 3.178 20 0 GGADHM CC(C)OC(=O)C[C@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824304626 1425269486 /nfs/dbraw/zinc/26/94/86/1425269486.db2.gz DFZCIGAXCNKLIV-SFHVURJKSA-N -1 3 383.427 3.178 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(F)c1 ZINC000170655510 1425279598 /nfs/dbraw/zinc/27/95/98/1425279598.db2.gz HELJKVBDKUAUAG-LBPRGKRZSA-N -1 3 392.283 3.109 20 0 GGADHM C[C@@H]1CN(Cc2cc(Br)c([O-])c(Br)c2)C[C@H](C)N1C ZINC000235679640 1433373768 /nfs/dbraw/zinc/37/37/68/1433373768.db2.gz TTXMQCFKONPXEI-AOOOYVTPSA-N -1 3 392.135 3.442 20 0 GGADHM O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000170724830 1425318681 /nfs/dbraw/zinc/31/86/81/1425318681.db2.gz AWJHSXGJCHSTCX-UHFFFAOYSA-N -1 3 376.416 3.039 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000170828192 1425357600 /nfs/dbraw/zinc/35/76/00/1425357600.db2.gz ODYFQUGNWVPOCK-GCJKJVERSA-N -1 3 396.487 3.105 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2NCC(F)(F)F)c([O-])c1 ZINC000170827990 1425357678 /nfs/dbraw/zinc/35/76/78/1425357678.db2.gz VICNZRLRJCOXFU-UHFFFAOYSA-N -1 3 395.381 3.433 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000170828189 1425358119 /nfs/dbraw/zinc/35/81/19/1425358119.db2.gz ODYFQUGNWVPOCK-AVRDEDQJSA-N -1 3 396.487 3.105 20 0 GGADHM CC(C)[C@H](N[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736136009 1425369461 /nfs/dbraw/zinc/36/94/61/1425369461.db2.gz ZJEBWNSTDORDBK-ACJLOTCBSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@H](N[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736136009 1425369471 /nfs/dbraw/zinc/36/94/71/1425369471.db2.gz ZJEBWNSTDORDBK-ACJLOTCBSA-N -1 3 382.443 3.320 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1csc(-c2cnccn2)n1 ZINC000170877169 1425378862 /nfs/dbraw/zinc/37/88/62/1425378862.db2.gz XKINXNCAMQYDAB-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CC2)c(Cl)cc1Cl ZINC000171007185 1425433972 /nfs/dbraw/zinc/43/39/72/1425433972.db2.gz NGTWHZNQPXOBDE-JTQLQIEISA-N -1 3 393.336 3.456 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccccc3C)CC2)cc1OC ZINC000171023850 1425443916 /nfs/dbraw/zinc/44/39/16/1425443916.db2.gz KULTTZBJZQOCID-UHFFFAOYSA-N -1 3 388.489 3.436 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(NC(=O)c4cnn(C)c4)c3)n[n-]2)o1 ZINC000171040241 1425450440 /nfs/dbraw/zinc/45/04/40/1425450440.db2.gz SDYPLFQLIBCVMK-UHFFFAOYSA-N -1 3 391.387 3.183 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(NC(=O)c4cnn(C)c4)c3)[n-]n2)o1 ZINC000171040241 1425450442 /nfs/dbraw/zinc/45/04/42/1425450442.db2.gz SDYPLFQLIBCVMK-UHFFFAOYSA-N -1 3 391.387 3.183 20 0 GGADHM Cc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000826282849 1425464550 /nfs/dbraw/zinc/46/45/50/1425464550.db2.gz DIXVNHHYJLKCNB-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000826282849 1425464555 /nfs/dbraw/zinc/46/45/55/1425464555.db2.gz DIXVNHHYJLKCNB-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM CN(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1Br)c1ccsc1 ZINC000825849815 1425466200 /nfs/dbraw/zinc/46/62/00/1425466200.db2.gz NBNNJALAZFNJDG-AWEZNQCLSA-N -1 3 393.314 3.406 20 0 GGADHM CN(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1Br)c1ccsc1 ZINC000825849815 1425466206 /nfs/dbraw/zinc/46/62/06/1425466206.db2.gz NBNNJALAZFNJDG-AWEZNQCLSA-N -1 3 393.314 3.406 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1ccc(Cl)nc1Cl ZINC000171078156 1425471642 /nfs/dbraw/zinc/47/16/42/1425471642.db2.gz VMXRCTUWIHNXMG-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000171090351 1425477316 /nfs/dbraw/zinc/47/73/16/1425477316.db2.gz ASSFFZVUHBLWMR-UHFFFAOYSA-N -1 3 382.482 3.185 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC[C@H]1c1cccc(F)c1 ZINC000737031275 1425563724 /nfs/dbraw/zinc/56/37/24/1425563724.db2.gz DOKXVRZVUIXUQF-KRWDZBQOSA-N -1 3 383.427 3.230 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCC[C@H]1c1cccc(F)c1 ZINC000737031275 1425563725 /nfs/dbraw/zinc/56/37/25/1425563725.db2.gz DOKXVRZVUIXUQF-KRWDZBQOSA-N -1 3 383.427 3.230 20 0 GGADHM O=C([N-]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000171251819 1425569938 /nfs/dbraw/zinc/56/99/38/1425569938.db2.gz JSMNBHJGIFZFMP-UHFFFAOYSA-N -1 3 377.410 3.187 20 0 GGADHM O=C(CN1CCC[C@@H]1C1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737879458 1425575179 /nfs/dbraw/zinc/57/51/79/1425575179.db2.gz UPGVWRSIPPCFHR-CQSZACIVSA-N -1 3 386.525 3.010 20 0 GGADHM c1cc(C2(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)CC2)cc2c1OCO2 ZINC000826518016 1425595088 /nfs/dbraw/zinc/59/50/88/1425595088.db2.gz YNSMDIFLNVIVMH-KRWDZBQOSA-N -1 3 375.432 3.252 20 0 GGADHM c1cc(C2(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)CC2)cc2c1OCO2 ZINC000826518016 1425595094 /nfs/dbraw/zinc/59/50/94/1425595094.db2.gz YNSMDIFLNVIVMH-KRWDZBQOSA-N -1 3 375.432 3.252 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NS(=O)(=O)C3CC3)c2)c(C)c1 ZINC000171329590 1425621181 /nfs/dbraw/zinc/62/11/81/1425621181.db2.gz WXXFMONJHXFYBZ-UHFFFAOYSA-N -1 3 394.518 3.317 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)NC(=O)C3CCCC3)c2)n1 ZINC000171382218 1425651883 /nfs/dbraw/zinc/65/18/83/1425651883.db2.gz NDWXACUAEXOHDN-CQSZACIVSA-N -1 3 396.491 3.023 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N4CCCC4)nc3)c2)n1 ZINC000171382226 1425652142 /nfs/dbraw/zinc/65/21/42/1425652142.db2.gz OWHHMEXJDFEPFG-UHFFFAOYSA-N -1 3 389.459 3.247 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c([O-])c1 ZINC000171399771 1425662496 /nfs/dbraw/zinc/66/24/96/1425662496.db2.gz GJJLZKCJKDNBDM-ZDUSSCGKSA-N -1 3 392.402 3.299 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(Cl)nc2Cl)c1 ZINC000171430365 1425675320 /nfs/dbraw/zinc/67/53/20/1425675320.db2.gz OZUIUQQTUIOMFA-UHFFFAOYSA-N -1 3 381.187 3.322 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccn3)s2)nnn1-c1ccccc1Cl ZINC000171454539 1425685552 /nfs/dbraw/zinc/68/55/52/1425685552.db2.gz RNECHSJIIUGMEV-UHFFFAOYSA-N -1 3 397.851 3.395 20 0 GGADHM C[C@@H]1c2ccccc2CCN1Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825028678 1425696348 /nfs/dbraw/zinc/69/63/48/1425696348.db2.gz JVHYMRRVGYECCJ-OAHLLOKOSA-N -1 3 385.475 3.387 20 0 GGADHM C[C@@H]1c2ccccc2CCN1Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825028678 1425696351 /nfs/dbraw/zinc/69/63/51/1425696351.db2.gz JVHYMRRVGYECCJ-OAHLLOKOSA-N -1 3 385.475 3.387 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccccc2)c2cccnc2)c([O-])c1 ZINC000171485379 1425701156 /nfs/dbraw/zinc/70/11/56/1425701156.db2.gz CWRABFKOWWGRDC-JOCHJYFZSA-N -1 3 389.455 3.121 20 0 GGADHM CC(C)(C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000824059463 1425735017 /nfs/dbraw/zinc/73/50/17/1425735017.db2.gz WFQKMJGWFNHKSD-UHFFFAOYSA-N -1 3 396.539 3.117 20 0 GGADHM Cc1oc(NC(=O)CN[C@H]2c3ccccc3CCC2(C)C)c(-c2nn[n-]n2)c1C ZINC000826342379 1425783912 /nfs/dbraw/zinc/78/39/12/1425783912.db2.gz IDNRLJIMFGLYSM-SFHVURJKSA-N -1 3 394.479 3.318 20 0 GGADHM Cc1oc(NC(=O)CN[C@H]2c3ccccc3CCC2(C)C)c(-c2nnn[n-]2)c1C ZINC000826342379 1425783916 /nfs/dbraw/zinc/78/39/16/1425783916.db2.gz IDNRLJIMFGLYSM-SFHVURJKSA-N -1 3 394.479 3.318 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c(C)c2)CC1 ZINC000825466040 1425790744 /nfs/dbraw/zinc/79/07/44/1425790744.db2.gz WHJVQVCZGHSHGN-KRWDZBQOSA-N -1 3 391.523 3.490 20 0 GGADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1)N1CCOCC1 ZINC000171801671 1425824062 /nfs/dbraw/zinc/82/40/62/1425824062.db2.gz KYTWBEOIXUUZRQ-INIZCTEOSA-N -1 3 397.500 3.429 20 0 GGADHM O=C(c1cncc([O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000171860535 1425837335 /nfs/dbraw/zinc/83/73/35/1425837335.db2.gz JLCCJWMABFOIQU-UHFFFAOYSA-N -1 3 379.382 3.154 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000826373590 1425866931 /nfs/dbraw/zinc/86/69/31/1425866931.db2.gz RSTDSGTVXCGNTR-HXUWFJFHSA-N -1 3 380.471 3.323 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820413642 1425874265 /nfs/dbraw/zinc/87/42/65/1425874265.db2.gz SVWXDRKSQVCJEN-WDEREUQCSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820413642 1425874272 /nfs/dbraw/zinc/87/42/72/1425874272.db2.gz SVWXDRKSQVCJEN-WDEREUQCSA-N -1 3 388.834 3.337 20 0 GGADHM CCn1cncc1[C@@H]1CCCCN1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821566375 1425881118 /nfs/dbraw/zinc/88/11/18/1425881118.db2.gz AUJJNTAIJRXCDK-SFHVURJKSA-N -1 3 381.484 3.079 20 0 GGADHM C[C@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1nccs1 ZINC000824414332 1425899333 /nfs/dbraw/zinc/89/93/33/1425899333.db2.gz ZNNIYZQOCVSGNE-SNVBAGLBSA-N -1 3 380.424 3.160 20 0 GGADHM C[C@H](CN(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nccs1 ZINC000824414332 1425899340 /nfs/dbraw/zinc/89/93/40/1425899340.db2.gz ZNNIYZQOCVSGNE-SNVBAGLBSA-N -1 3 380.424 3.160 20 0 GGADHM CCC(CC)[C@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000825096366 1425914992 /nfs/dbraw/zinc/91/49/92/1425914992.db2.gz MNWRGGKASFNFPK-IBGZPJMESA-N -1 3 398.536 3.312 20 0 GGADHM CCC(CC)[C@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000825096366 1425914994 /nfs/dbraw/zinc/91/49/94/1425914994.db2.gz MNWRGGKASFNFPK-IBGZPJMESA-N -1 3 398.536 3.312 20 0 GGADHM O[C@H](CN1CCCC[C@@H]1c1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683062 1425928900 /nfs/dbraw/zinc/92/89/00/1425928900.db2.gz XTBWGFQIEZJKMZ-QZTJIDSGSA-N -1 3 390.447 3.269 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3C)cc21 ZINC000172182091 1425936385 /nfs/dbraw/zinc/93/63/85/1425936385.db2.gz MCIDYDKSABCXBW-UHFFFAOYSA-N -1 3 399.516 3.305 20 0 GGADHM CC(NC(=O)NCc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120199 1425975789 /nfs/dbraw/zinc/97/57/89/1425975789.db2.gz YGBRJLODVZFAMW-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000172366534 1426016301 /nfs/dbraw/zinc/01/63/01/1426016301.db2.gz GVQLKRMSMDXSKJ-RVKKMQEKSA-N -1 3 394.537 3.034 20 0 GGADHM O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000172415619 1426033867 /nfs/dbraw/zinc/03/38/67/1426033867.db2.gz NFCAGIZTDZFZRT-UHFFFAOYSA-N -1 3 379.387 3.458 20 0 GGADHM CCc1ccc(CN(C)Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736690115 1426105532 /nfs/dbraw/zinc/10/55/32/1426105532.db2.gz LIMQWFIVZUZLLL-UHFFFAOYSA-N -1 3 388.479 3.086 20 0 GGADHM CCc1ccc(CN(C)Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736690115 1426105536 /nfs/dbraw/zinc/10/55/36/1426105536.db2.gz LIMQWFIVZUZLLL-UHFFFAOYSA-N -1 3 388.479 3.086 20 0 GGADHM FC(F)SCc1ccc(CNCCOc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822736981 1426108177 /nfs/dbraw/zinc/10/81/77/1426108177.db2.gz NGSGAJWVNKXCES-UHFFFAOYSA-N -1 3 381.408 3.084 20 0 GGADHM CC(C)C[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824236075 1426115628 /nfs/dbraw/zinc/11/56/28/1426115628.db2.gz MHSJIFFAGLJKSQ-UZLBHIALSA-N -1 3 392.507 3.421 20 0 GGADHM CC(C)C[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824236075 1426115633 /nfs/dbraw/zinc/11/56/33/1426115633.db2.gz MHSJIFFAGLJKSQ-UZLBHIALSA-N -1 3 392.507 3.421 20 0 GGADHM C[C@@H](NCc1ccccc1Cn1ccnc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824625813 1426166593 /nfs/dbraw/zinc/16/65/93/1426166593.db2.gz KOBACCZPKALMJA-CQSZACIVSA-N -1 3 377.427 3.101 20 0 GGADHM C[C@@H](NCc1ccccc1Cn1ccnc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824625813 1426166598 /nfs/dbraw/zinc/16/65/98/1426166598.db2.gz KOBACCZPKALMJA-CQSZACIVSA-N -1 3 377.427 3.101 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCC3)ccc2C)cc1 ZINC000172773350 1426181615 /nfs/dbraw/zinc/18/16/15/1426181615.db2.gz CYEMURJKMNENOE-UHFFFAOYSA-N -1 3 388.489 3.429 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Cc3c(C)nn(C)c3C)c2)n1 ZINC000172818854 1426202995 /nfs/dbraw/zinc/20/29/95/1426202995.db2.gz RIEKZWPBRFRVDN-CYBMUJFWSA-N -1 3 393.491 3.167 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)nn(CC)c3Cl)c2)n1 ZINC000172818893 1426203041 /nfs/dbraw/zinc/20/30/41/1426203041.db2.gz UYXJDALDXVOEKO-UHFFFAOYSA-N -1 3 385.855 3.430 20 0 GGADHM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000172884639 1426238376 /nfs/dbraw/zinc/23/83/76/1426238376.db2.gz PXOYQIHDVCKUIV-UHFFFAOYSA-N -1 3 380.441 3.241 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)cc(C)c1F ZINC000172895290 1426243946 /nfs/dbraw/zinc/24/39/46/1426243946.db2.gz SBGYLIITDMLIEN-HNNXBMFYSA-N -1 3 378.469 3.468 20 0 GGADHM COc1ccccc1COC1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826220174 1426328748 /nfs/dbraw/zinc/32/87/48/1426328748.db2.gz FIVHVZCPHUHCSB-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)N2CCCC2)o1 ZINC000173094433 1426339612 /nfs/dbraw/zinc/33/96/12/1426339612.db2.gz KJIGZKDUPSUURT-OAHLLOKOSA-N -1 3 388.411 3.121 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000173120909 1426351828 /nfs/dbraw/zinc/35/18/28/1426351828.db2.gz DVRIVAMXIHLWAZ-UHFFFAOYSA-N -1 3 394.497 3.244 20 0 GGADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cn(Cc2cccs2)nn1 ZINC000173124564 1426352585 /nfs/dbraw/zinc/35/25/85/1426352585.db2.gz FMUGXUJSVMMJJJ-UHFFFAOYSA-N -1 3 382.474 3.083 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2cccc(F)c2)cc1OC ZINC000173165340 1426373142 /nfs/dbraw/zinc/37/31/42/1426373142.db2.gz ZSSBAOHCLCLQEX-GFCCVEGCSA-N -1 3 380.441 3.338 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000173195751 1426386774 /nfs/dbraw/zinc/38/67/74/1426386774.db2.gz JSEXZKAQPTZKBY-CYBMUJFWSA-N -1 3 398.850 3.014 20 0 GGADHM CCOc1ccc(CN2CCN([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736643843 1426395229 /nfs/dbraw/zinc/39/52/29/1426395229.db2.gz NMTBRYGHDAWWFZ-QGZVFWFLSA-N -1 3 392.507 3.144 20 0 GGADHM CCCC[C@@H](C(=O)OC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000173222932 1426407603 /nfs/dbraw/zinc/40/76/03/1426407603.db2.gz QOYBECOPEODHEV-INIZCTEOSA-N -1 3 382.888 3.428 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825012769 1426419237 /nfs/dbraw/zinc/41/92/37/1426419237.db2.gz LKVVUVHJVTWSJL-CQSZACIVSA-N -1 3 380.521 3.344 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000825012769 1426419240 /nfs/dbraw/zinc/41/92/40/1426419240.db2.gz LKVVUVHJVTWSJL-CQSZACIVSA-N -1 3 380.521 3.344 20 0 GGADHM CN(C)c1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc2n1 ZINC000173251441 1426431334 /nfs/dbraw/zinc/43/13/34/1426431334.db2.gz GVEBGURMTFKSIV-UHFFFAOYSA-N -1 3 377.416 3.058 20 0 GGADHM C[C@]1(COC(=O)c2cc(-c3nn[n-]n3)cs2)CCCN1Cc1ccccc1 ZINC000820623143 1426440428 /nfs/dbraw/zinc/44/04/28/1426440428.db2.gz GKJLQZHFXZHXHX-LJQANCHMSA-N -1 3 383.477 3.140 20 0 GGADHM CC(C)CNC(=O)c1cccc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824266849 1426447215 /nfs/dbraw/zinc/44/72/15/1426447215.db2.gz RVTBOXMBYFGSDE-HNNXBMFYSA-N -1 3 378.480 3.103 20 0 GGADHM CC(C)CNC(=O)c1cccc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824266849 1426447218 /nfs/dbraw/zinc/44/72/18/1426447218.db2.gz RVTBOXMBYFGSDE-HNNXBMFYSA-N -1 3 378.480 3.103 20 0 GGADHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000173291360 1426469958 /nfs/dbraw/zinc/46/99/58/1426469958.db2.gz XACXBGAAKPQHNO-UHFFFAOYSA-N -1 3 389.883 3.448 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820684486 1426508322 /nfs/dbraw/zinc/50/83/22/1426508322.db2.gz QHIJEBQNJIDPGZ-ZIAGYGMSSA-N -1 3 396.520 3.084 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820684486 1426508330 /nfs/dbraw/zinc/50/83/30/1426508330.db2.gz QHIJEBQNJIDPGZ-ZIAGYGMSSA-N -1 3 396.520 3.084 20 0 GGADHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825669034 1426522281 /nfs/dbraw/zinc/52/22/81/1426522281.db2.gz OQAKTIQYDKOUBV-UONOGXRCSA-N -1 3 385.493 3.072 20 0 GGADHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825669034 1426522282 /nfs/dbraw/zinc/52/22/82/1426522282.db2.gz OQAKTIQYDKOUBV-UONOGXRCSA-N -1 3 385.493 3.072 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)o1 ZINC000173351072 1426528671 /nfs/dbraw/zinc/52/86/71/1426528671.db2.gz OATBBKOZMXWSRN-LBPRGKRZSA-N -1 3 393.383 3.407 20 0 GGADHM CCC[C@H](C)c1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)n[nH]1 ZINC000173352784 1426529737 /nfs/dbraw/zinc/52/97/37/1426529737.db2.gz CPDOWKATGBMTHW-ZDUSSCGKSA-N -1 3 394.479 3.338 20 0 GGADHM CC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000825139185 1426600136 /nfs/dbraw/zinc/60/01/36/1426600136.db2.gz CSFCCMVQIJQKER-KAWXRDEMSA-N -1 3 391.397 3.447 20 0 GGADHM CC(C)(C)CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000735603154 1426616984 /nfs/dbraw/zinc/61/69/84/1426616984.db2.gz YOIPVDDASKFCRO-UHFFFAOYSA-N -1 3 392.507 3.031 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)C2CC2)s1 ZINC000173491031 1426664086 /nfs/dbraw/zinc/66/40/86/1426664086.db2.gz CRSZLYLWWAKVKJ-MRXNPFEDSA-N -1 3 392.481 3.206 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)n[n-]1 ZINC000173518856 1426691799 /nfs/dbraw/zinc/69/17/99/1426691799.db2.gz AQLCCYYCJMTNDA-UHFFFAOYSA-N -1 3 382.420 3.330 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)[C@@H]2CCCC[C@@H]12 ZINC000820728615 1426729755 /nfs/dbraw/zinc/72/97/55/1426729755.db2.gz XJSNJXFSFMAVEW-XOKHGSTOSA-N -1 3 379.468 3.317 20 0 GGADHM O[C@H](CNCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000823681287 1426743136 /nfs/dbraw/zinc/74/31/36/1426743136.db2.gz DBPWSGMBFVKGPR-OAHLLOKOSA-N -1 3 382.226 3.136 20 0 GGADHM O[C@H](CNCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000823681287 1426743141 /nfs/dbraw/zinc/74/31/41/1426743141.db2.gz DBPWSGMBFVKGPR-OAHLLOKOSA-N -1 3 382.226 3.136 20 0 GGADHM C[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824563174 1426750457 /nfs/dbraw/zinc/75/04/57/1426750457.db2.gz MXAGWGPSEJTAMB-NSHDSACASA-N -1 3 390.369 3.175 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c[nH]c(C)cc3=O)cc2)cc1 ZINC000173590920 1426755696 /nfs/dbraw/zinc/75/56/96/1426755696.db2.gz CBXYWNWEECZKCF-UHFFFAOYSA-N -1 3 397.456 3.045 20 0 GGADHM CCCCC[C@@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825266686 1426768613 /nfs/dbraw/zinc/76/86/13/1426768613.db2.gz GKCKABXEJAQLMR-HXUWFJFHSA-N -1 3 392.507 3.394 20 0 GGADHM CCCCC[C@@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825266686 1426768620 /nfs/dbraw/zinc/76/86/20/1426768620.db2.gz GKCKABXEJAQLMR-HXUWFJFHSA-N -1 3 392.507 3.394 20 0 GGADHM C[C@@H](NCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824553927 1426775608 /nfs/dbraw/zinc/77/56/08/1426775608.db2.gz KQSADOJKENNIPX-FZKQIMNGSA-N -1 3 398.536 3.482 20 0 GGADHM C[C@@H](NCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824553927 1426775615 /nfs/dbraw/zinc/77/56/15/1426775615.db2.gz KQSADOJKENNIPX-FZKQIMNGSA-N -1 3 398.536 3.482 20 0 GGADHM O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826483175 1426785134 /nfs/dbraw/zinc/78/51/34/1426785134.db2.gz DKRQLVGFJUKIBF-KRWDZBQOSA-N -1 3 398.854 3.061 20 0 GGADHM O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826483175 1426785136 /nfs/dbraw/zinc/78/51/36/1426785136.db2.gz DKRQLVGFJUKIBF-KRWDZBQOSA-N -1 3 398.854 3.061 20 0 GGADHM CC1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000173690485 1426822111 /nfs/dbraw/zinc/82/21/11/1426822111.db2.gz BJFNLWMDIRFRES-UHFFFAOYSA-N -1 3 391.320 3.306 20 0 GGADHM Fc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737651478 1426833785 /nfs/dbraw/zinc/83/37/85/1426833785.db2.gz UUNNBHQFQKZAIP-QGZVFWFLSA-N -1 3 381.411 3.114 20 0 GGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000173780034 1426849149 /nfs/dbraw/zinc/84/91/49/1426849149.db2.gz SRESWZWOIKBHLK-JTQLQIEISA-N -1 3 391.276 3.143 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)on1 ZINC000173798151 1426853838 /nfs/dbraw/zinc/85/38/38/1426853838.db2.gz NJVCQCZUZHVKFA-UHFFFAOYSA-N -1 3 380.466 3.152 20 0 GGADHM C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C(=O)c1cccc(F)c1 ZINC000173815954 1426859116 /nfs/dbraw/zinc/85/91/16/1426859116.db2.gz GBMDROXTVCAWGZ-GFCCVEGCSA-N -1 3 378.425 3.045 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)C[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737546600 1426879601 /nfs/dbraw/zinc/87/96/01/1426879601.db2.gz DMEQCNYQOBVGSK-IFIJOSMWSA-N -1 3 394.479 3.282 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000173906096 1426887177 /nfs/dbraw/zinc/88/71/77/1426887177.db2.gz PSZULMNURIIYAG-GOSISDBHSA-N -1 3 395.503 3.108 20 0 GGADHM CCc1cccc(OCCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000736697472 1426894531 /nfs/dbraw/zinc/89/45/31/1426894531.db2.gz FZTQRGCYMIMRJG-UHFFFAOYSA-N -1 3 393.491 3.351 20 0 GGADHM CCc1cccc(OCCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000736697472 1426894538 /nfs/dbraw/zinc/89/45/38/1426894538.db2.gz FZTQRGCYMIMRJG-UHFFFAOYSA-N -1 3 393.491 3.351 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1C ZINC000174004515 1426937666 /nfs/dbraw/zinc/93/76/66/1426937666.db2.gz YJXXYBNTBMQZHW-UHFFFAOYSA-N -1 3 392.452 3.322 20 0 GGADHM c1ccc2c(c1)cncc2CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826517724 1426942960 /nfs/dbraw/zinc/94/29/60/1426942960.db2.gz MUNVRDZNADPDQB-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM c1ccc2c(c1)cncc2CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826517724 1426942962 /nfs/dbraw/zinc/94/29/62/1426942962.db2.gz MUNVRDZNADPDQB-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCC4)n2)c1 ZINC000174034279 1426958171 /nfs/dbraw/zinc/95/81/71/1426958171.db2.gz XKFHOMOYYZWAFY-ZDUSSCGKSA-N -1 3 399.472 3.273 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174042900 1426966241 /nfs/dbraw/zinc/96/62/41/1426966241.db2.gz QQKTZSZVYHRPQJ-LLVKDONJSA-N -1 3 379.388 3.195 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(-c2cccc(F)c2)no1 ZINC000174044427 1426967209 /nfs/dbraw/zinc/96/72/09/1426967209.db2.gz RSBCXFBJAAZMKY-GFCCVEGCSA-N -1 3 387.436 3.404 20 0 GGADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174044449 1426967237 /nfs/dbraw/zinc/96/72/37/1426967237.db2.gz ZMKXTIGONMWPMK-CYBMUJFWSA-N -1 3 375.425 3.365 20 0 GGADHM CCOCCOCc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1C ZINC000174045057 1426968266 /nfs/dbraw/zinc/96/82/66/1426968266.db2.gz ZNRMCDHPXZRJNP-CPNJWEJPSA-N -1 3 380.444 3.271 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1nc(C2CCCCC2)no1 ZINC000174066299 1426983506 /nfs/dbraw/zinc/98/35/06/1426983506.db2.gz OMAFCQBXCUSLOG-LBPRGKRZSA-N -1 3 377.466 3.092 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824334253 1426991131 /nfs/dbraw/zinc/99/11/31/1426991131.db2.gz SWOUVCFLTQUCOS-YJYMSZOUSA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824334253 1426991133 /nfs/dbraw/zinc/99/11/33/1426991133.db2.gz SWOUVCFLTQUCOS-YJYMSZOUSA-N -1 3 385.443 3.177 20 0 GGADHM Cc1ccc(CCN(Cc2ccco2)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000174130026 1427014912 /nfs/dbraw/zinc/01/49/12/1427014912.db2.gz ZCKLLCXWKLVGFY-UHFFFAOYSA-N -1 3 393.487 3.492 20 0 GGADHM COC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000174143129 1427019624 /nfs/dbraw/zinc/01/96/24/1427019624.db2.gz OQOBZBLREZNNPR-UHFFFAOYSA-N -1 3 390.505 3.259 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000821013997 1427036783 /nfs/dbraw/zinc/03/67/83/1427036783.db2.gz AGIODTNVGGDSCR-FZMZJTMJSA-N -1 3 376.530 3.384 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821013997 1427036787 /nfs/dbraw/zinc/03/67/87/1427036787.db2.gz AGIODTNVGGDSCR-FZMZJTMJSA-N -1 3 376.530 3.384 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737420618 1427075152 /nfs/dbraw/zinc/07/51/52/1427075152.db2.gz KMZUZGHPTAIDFJ-GVDBMIGSSA-N -1 3 390.491 3.380 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)c(C)c1C ZINC000174267905 1427076897 /nfs/dbraw/zinc/07/68/97/1427076897.db2.gz WUGCZKVFXYYIML-UHFFFAOYSA-N -1 3 389.521 3.317 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)ccc1F ZINC000174295764 1427089657 /nfs/dbraw/zinc/08/96/57/1427089657.db2.gz NXWYYEQXACDXFN-CZUORRHYSA-N -1 3 382.501 3.307 20 0 GGADHM Cc1cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1C(F)(F)F ZINC000174297284 1427090332 /nfs/dbraw/zinc/09/03/32/1427090332.db2.gz HIDWTQWZHMICIY-UHFFFAOYSA-N -1 3 381.354 3.271 20 0 GGADHM Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2=O)cc1 ZINC000174453788 1427163143 /nfs/dbraw/zinc/16/31/43/1427163143.db2.gz FJCHTSHMWNOVNO-SFHVURJKSA-N -1 3 396.516 3.102 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736276585 1427181300 /nfs/dbraw/zinc/18/13/00/1427181300.db2.gz ZVWBVCMYWPIOAV-OXJNMPFZSA-N -1 3 385.512 3.305 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736276585 1427181304 /nfs/dbraw/zinc/18/13/04/1427181304.db2.gz ZVWBVCMYWPIOAV-OXJNMPFZSA-N -1 3 385.512 3.305 20 0 GGADHM Cc1ccc2c(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc(=O)oc2c1C ZINC000174606755 1427256891 /nfs/dbraw/zinc/25/68/91/1427256891.db2.gz UVIGVUNNPPHNFG-UHFFFAOYSA-N -1 3 392.455 3.073 20 0 GGADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174606991 1427258492 /nfs/dbraw/zinc/25/84/92/1427258492.db2.gz CUAGXRSWZXOXDO-KRWDZBQOSA-N -1 3 395.503 3.301 20 0 GGADHM CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266206 1427298471 /nfs/dbraw/zinc/29/84/71/1427298471.db2.gz GSDCKYUKPBGRGL-HOTGVXAUSA-N -1 3 392.507 3.345 20 0 GGADHM CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266206 1427298479 /nfs/dbraw/zinc/29/84/79/1427298479.db2.gz GSDCKYUKPBGRGL-HOTGVXAUSA-N -1 3 392.507 3.345 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)cc1Br ZINC000174671234 1427299721 /nfs/dbraw/zinc/29/97/21/1427299721.db2.gz LTJCKQKPYLNELY-UHFFFAOYSA-N -1 3 393.266 3.139 20 0 GGADHM COc1ccc(-c2ccc(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)cc1 ZINC000174692712 1427312772 /nfs/dbraw/zinc/31/27/72/1427312772.db2.gz PVLXJZRTPIFJBI-UHFFFAOYSA-N -1 3 391.471 3.311 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)O1 ZINC000174705009 1427320350 /nfs/dbraw/zinc/32/03/50/1427320350.db2.gz VSJKEUYAYWOJDY-ZYHUDNBSSA-N -1 3 394.415 3.363 20 0 GGADHM C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736132975 1427336261 /nfs/dbraw/zinc/33/62/61/1427336261.db2.gz QUZCZVPRHCTMKZ-LIRRHRJNSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736132975 1427336264 /nfs/dbraw/zinc/33/62/64/1427336264.db2.gz QUZCZVPRHCTMKZ-LIRRHRJNSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000174745129 1427345096 /nfs/dbraw/zinc/34/50/96/1427345096.db2.gz KGUXPVOEMJQONV-LLVKDONJSA-N -1 3 378.363 3.208 20 0 GGADHM CC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000174849077 1427405758 /nfs/dbraw/zinc/40/57/58/1427405758.db2.gz XKOSVSLGQQMSGD-NSHDSACASA-N -1 3 388.415 3.062 20 0 GGADHM CC[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc(C(F)(F)F)cs1 ZINC000174850682 1427406831 /nfs/dbraw/zinc/40/68/31/1427406831.db2.gz GHOJYQXCXLUPQY-VIFPVBQESA-N -1 3 382.367 3.280 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000174868883 1427418794 /nfs/dbraw/zinc/41/87/94/1427418794.db2.gz DXSOKBSBWTVCTL-UHFFFAOYSA-N -1 3 380.331 3.173 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000174871510 1427420586 /nfs/dbraw/zinc/42/05/86/1427420586.db2.gz SXSGWQVWWYWADO-UHFFFAOYSA-N -1 3 392.452 3.348 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@H]2CCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549353 1427420615 /nfs/dbraw/zinc/42/06/15/1427420615.db2.gz XFSZXQHQHYZWSJ-KRWDZBQOSA-N -1 3 394.479 3.112 20 0 GGADHM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000174889087 1427429081 /nfs/dbraw/zinc/42/90/81/1427429081.db2.gz QONZGHVDERDGQJ-HNNXBMFYSA-N -1 3 392.814 3.437 20 0 GGADHM CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)c1C ZINC000174889014 1427429108 /nfs/dbraw/zinc/42/91/08/1427429108.db2.gz QKAJAPXZZWOWJW-UHFFFAOYSA-N -1 3 383.379 3.454 20 0 GGADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)CC1 ZINC000174891876 1427430826 /nfs/dbraw/zinc/43/08/26/1427430826.db2.gz XUVFDIMHQOHLFK-UHFFFAOYSA-N -1 3 392.452 3.204 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000174918779 1427445846 /nfs/dbraw/zinc/44/58/46/1427445846.db2.gz LBKLPQFZQXNYCT-UHFFFAOYSA-N -1 3 381.354 3.271 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000174957552 1427465683 /nfs/dbraw/zinc/46/56/83/1427465683.db2.gz WIIAGZMMXLPAAU-UHFFFAOYSA-N -1 3 390.386 3.247 20 0 GGADHM c1cc2c(cccc2N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC001139094959 1427469869 /nfs/dbraw/zinc/46/98/69/1427469869.db2.gz MSTLCAHZDWFRJD-UHFFFAOYSA-N -1 3 376.489 3.404 20 0 GGADHM c1cc2c(cccc2N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC001139094959 1427469874 /nfs/dbraw/zinc/46/98/74/1427469874.db2.gz MSTLCAHZDWFRJD-UHFFFAOYSA-N -1 3 376.489 3.404 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000174982111 1427478186 /nfs/dbraw/zinc/47/81/86/1427478186.db2.gz SPUUWBJEBFIVCR-MEDUHNTESA-N -1 3 383.473 3.273 20 0 GGADHM C[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824572134 1427507093 /nfs/dbraw/zinc/50/70/93/1427507093.db2.gz SZMMKTKAWDHLEX-ABKXIKBNSA-N -1 3 379.798 3.183 20 0 GGADHM C[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572134 1427507100 /nfs/dbraw/zinc/50/71/00/1427507100.db2.gz SZMMKTKAWDHLEX-ABKXIKBNSA-N -1 3 379.798 3.183 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)C3CCCCC3)c2)n1 ZINC000175055111 1427522387 /nfs/dbraw/zinc/52/23/87/1427522387.db2.gz AVPWIRXQEDCYPJ-AWEZNQCLSA-N -1 3 396.491 3.023 20 0 GGADHM CN(CCOc1ccccc1Br)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825946279 1427527127 /nfs/dbraw/zinc/52/71/27/1427527127.db2.gz QZGFQDUGYXCOOC-UHFFFAOYSA-N -1 3 388.269 3.140 20 0 GGADHM CN(CCOc1ccccc1Br)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825946279 1427527132 /nfs/dbraw/zinc/52/71/32/1427527132.db2.gz QZGFQDUGYXCOOC-UHFFFAOYSA-N -1 3 388.269 3.140 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3nccs3)nc(=O)c2c1C ZINC000175081285 1427536220 /nfs/dbraw/zinc/53/62/20/1427536220.db2.gz MVJUVXVWNMCXPU-SNVBAGLBSA-N -1 3 392.506 3.119 20 0 GGADHM Cc1c([C@H](C)NCc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccc(F)cc1 ZINC000822021393 1427561817 /nfs/dbraw/zinc/56/18/17/1427561817.db2.gz ZLNBBHMXQAVBJX-NSHDSACASA-N -1 3 383.456 3.412 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000175132224 1427562064 /nfs/dbraw/zinc/56/20/64/1427562064.db2.gz BKFFZKQDAMCTAG-OAHLLOKOSA-N -1 3 398.507 3.021 20 0 GGADHM CN(C)[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000821581589 1427579826 /nfs/dbraw/zinc/57/98/26/1427579826.db2.gz PKWVSWMUPILMEP-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM CN(C)[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000821581589 1427579829 /nfs/dbraw/zinc/57/98/29/1427579829.db2.gz PKWVSWMUPILMEP-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(C)o1 ZINC000175194958 1427592425 /nfs/dbraw/zinc/59/24/25/1427592425.db2.gz VFWBTOXMKGJEQX-NSHDSACASA-N -1 3 376.434 3.076 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c(Cl)cc1Cl ZINC000175194438 1427592899 /nfs/dbraw/zinc/59/28/99/1427592899.db2.gz FIJDLIZBTCSDDC-VIFPVBQESA-N -1 3 389.260 3.215 20 0 GGADHM CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266208 1427594652 /nfs/dbraw/zinc/59/46/52/1427594652.db2.gz GSDCKYUKPBGRGL-JKSUJKDBSA-N -1 3 392.507 3.345 20 0 GGADHM CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266208 1427594657 /nfs/dbraw/zinc/59/46/57/1427594657.db2.gz GSDCKYUKPBGRGL-JKSUJKDBSA-N -1 3 392.507 3.345 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)c(C)o1 ZINC000175199770 1427595666 /nfs/dbraw/zinc/59/56/66/1427595666.db2.gz HRNPMUTUBRGLAA-UHFFFAOYSA-N -1 3 378.450 3.070 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000820414547 1427618419 /nfs/dbraw/zinc/61/84/19/1427618419.db2.gz ZBBCLXXURYWANG-LSDHHAIUSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000820414547 1427618424 /nfs/dbraw/zinc/61/84/24/1427618424.db2.gz ZBBCLXXURYWANG-LSDHHAIUSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000175305295 1427664362 /nfs/dbraw/zinc/66/43/62/1427664362.db2.gz OJWSNNWKIGSDMC-MRXNPFEDSA-N -1 3 384.451 3.085 20 0 GGADHM Cc1ccc(OCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000175306071 1427665535 /nfs/dbraw/zinc/66/55/35/1427665535.db2.gz CAVGOKAMXJOKBH-UHFFFAOYSA-N -1 3 396.487 3.153 20 0 GGADHM CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccccc2[O-])c2ccccc2)c1 ZINC000175334715 1427686898 /nfs/dbraw/zinc/68/68/98/1427686898.db2.gz OPLUAYWFHHKXTA-HXUWFJFHSA-N -1 3 381.453 3.315 20 0 GGADHM COc1cccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1[O-] ZINC000175428702 1427750074 /nfs/dbraw/zinc/75/00/74/1427750074.db2.gz JMRRWAZFVYBGJW-HNNXBMFYSA-N -1 3 380.444 3.157 20 0 GGADHM COc1ccc([O-])c(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000175441550 1427756535 /nfs/dbraw/zinc/75/65/35/1427756535.db2.gz KJFHSRBGKLEZOZ-HNNXBMFYSA-N -1 3 380.444 3.157 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1 ZINC000175485491 1427781100 /nfs/dbraw/zinc/78/11/00/1427781100.db2.gz HZMFEPXHQDHRDI-DLBZAZTESA-N -1 3 393.270 3.349 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1 ZINC000175485454 1427781209 /nfs/dbraw/zinc/78/12/09/1427781209.db2.gz HZMFEPXHQDHRDI-IAGOWNOFSA-N -1 3 393.270 3.349 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000175563050 1427816117 /nfs/dbraw/zinc/81/61/17/1427816117.db2.gz IANACHSYQZTSRO-SECBINFHSA-N -1 3 390.383 3.006 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c(C)o1 ZINC000175588757 1427823744 /nfs/dbraw/zinc/82/37/44/1427823744.db2.gz HNJFFZYOYHYQPB-XHDPSFHLSA-N -1 3 392.477 3.017 20 0 GGADHM Cc1ccnc(NC[C@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)c1 ZINC000822374499 1427837594 /nfs/dbraw/zinc/83/75/94/1427837594.db2.gz ZODINQCXWNLIBJ-OAHLLOKOSA-N -1 3 386.463 3.057 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4nc(-c5ccco5)[nH]c4c3)ccc2N1 ZINC000175684496 1427856097 /nfs/dbraw/zinc/85/60/97/1427856097.db2.gz LTAVTEFZZZDNQQ-UHFFFAOYSA-N -1 3 394.412 3.118 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000175708150 1427865963 /nfs/dbraw/zinc/86/59/63/1427865963.db2.gz MNTHVWPJQVSGJC-GCZGRYASSA-N -1 3 387.436 3.451 20 0 GGADHM C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000175708132 1427866135 /nfs/dbraw/zinc/86/61/35/1427866135.db2.gz MNTHVWPJQVSGJC-GETOMWPZSA-N -1 3 387.436 3.451 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1F ZINC000175717710 1427868878 /nfs/dbraw/zinc/86/88/78/1427868878.db2.gz UCJOVIBVTCCJCI-UHFFFAOYSA-N -1 3 392.452 3.308 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(-c3ccccc3)s2)ccc1F ZINC000175758221 1427881102 /nfs/dbraw/zinc/88/11/02/1427881102.db2.gz CJLALPMZIGDIMW-UHFFFAOYSA-N -1 3 391.449 3.110 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN[C@@H](C)c1ccccc1OC(C)C ZINC000826176357 1427883283 /nfs/dbraw/zinc/88/32/83/1427883283.db2.gz LRAPKPMWMWUTNW-HNNXBMFYSA-N -1 3 397.479 3.392 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN[C@@H](C)c1ccccc1OC(C)C ZINC000826176357 1427883295 /nfs/dbraw/zinc/88/32/95/1427883295.db2.gz LRAPKPMWMWUTNW-HNNXBMFYSA-N -1 3 397.479 3.392 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC2CCC2)c2ccccc2)ccc1F ZINC000175773074 1427887911 /nfs/dbraw/zinc/88/79/11/1427887911.db2.gz CZHIASBQWXQHHE-UHFFFAOYSA-N -1 3 376.453 3.181 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccn2C)c2cccc(F)c2)c(F)cc1F ZINC000175781146 1427890537 /nfs/dbraw/zinc/89/05/37/1427890537.db2.gz XHSYYUKFWAYVEE-KRWDZBQOSA-N -1 3 395.406 3.214 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nccn2Cc2ccccc2)c(F)cc1F ZINC000175783047 1427890650 /nfs/dbraw/zinc/89/06/50/1427890650.db2.gz VOACTJOLQVZHQB-UHFFFAOYSA-N -1 3 391.443 3.039 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)c(F)cc1F ZINC000175783659 1427891130 /nfs/dbraw/zinc/89/11/30/1427891130.db2.gz GAQXMRALYPORSU-UHFFFAOYSA-N -1 3 394.443 3.490 20 0 GGADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000175790348 1427893626 /nfs/dbraw/zinc/89/36/26/1427893626.db2.gz JAFJIOAMHRBAQU-UHFFFAOYSA-N -1 3 379.432 3.164 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)c(F)cc1F ZINC000175799620 1427897485 /nfs/dbraw/zinc/89/74/85/1427897485.db2.gz DRWKNOPFFNBECH-UHFFFAOYSA-N -1 3 385.407 3.397 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)c(F)cc1F ZINC000175805795 1427899818 /nfs/dbraw/zinc/89/98/18/1427899818.db2.gz IZNSMIIJNOHFJK-UHFFFAOYSA-N -1 3 385.407 3.397 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)c(F)cc1F ZINC000175810081 1427902888 /nfs/dbraw/zinc/90/28/88/1427902888.db2.gz YDVLNRYEKUBIJC-GFCCVEGCSA-N -1 3 393.415 3.287 20 0 GGADHM CCCn1ccc2cc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C)c3)ccc21 ZINC000175813040 1427905607 /nfs/dbraw/zinc/90/56/07/1427905607.db2.gz AZZRLCIPKRGPLH-UHFFFAOYSA-N -1 3 389.452 3.351 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c(C)o1 ZINC000175822425 1427911620 /nfs/dbraw/zinc/91/16/20/1427911620.db2.gz UJZNKHUUUIWHDS-GOSISDBHSA-N -1 3 376.478 3.157 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233000 1427920956 /nfs/dbraw/zinc/92/09/56/1427920956.db2.gz DWKNPRFGWNFITN-FMKPAKJESA-N -1 3 394.454 3.211 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233000 1427920959 /nfs/dbraw/zinc/92/09/59/1427920959.db2.gz DWKNPRFGWNFITN-FMKPAKJESA-N -1 3 394.454 3.211 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cc3ccccc3)ccc2O)c(=O)[n-]1 ZINC000175847176 1427928863 /nfs/dbraw/zinc/92/88/63/1427928863.db2.gz JFIUDUUYHDANHI-UHFFFAOYSA-N -1 3 377.444 3.254 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000826282897 1427936589 /nfs/dbraw/zinc/93/65/89/1427936589.db2.gz FKHYZUYDWPNDHI-ZDUSSCGKSA-N -1 3 384.509 3.451 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000826282897 1427936595 /nfs/dbraw/zinc/93/65/95/1427936595.db2.gz FKHYZUYDWPNDHI-ZDUSSCGKSA-N -1 3 384.509 3.451 20 0 GGADHM Clc1cc(CNCc2ccc(-c3nn[n-]n3)s2)cc2c1OCCCO2 ZINC000822568169 1427940610 /nfs/dbraw/zinc/94/06/10/1427940610.db2.gz NBYMQAZOLFTMCL-UHFFFAOYSA-N -1 3 377.857 3.033 20 0 GGADHM Clc1cc(CNCc2ccc(-c3nnn[n-]3)s2)cc2c1OCCCO2 ZINC000822568169 1427940616 /nfs/dbraw/zinc/94/06/16/1427940616.db2.gz NBYMQAZOLFTMCL-UHFFFAOYSA-N -1 3 377.857 3.033 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c(C)o1 ZINC000175865173 1427940803 /nfs/dbraw/zinc/94/08/03/1427940803.db2.gz YQOAGEOIPZBLBQ-UHFFFAOYSA-N -1 3 395.437 3.011 20 0 GGADHM C[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824578062 1427943838 /nfs/dbraw/zinc/94/38/38/1427943838.db2.gz PWRSCMMGCXEXEQ-SJKOYZFVSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578062 1427943840 /nfs/dbraw/zinc/94/38/40/1427943840.db2.gz PWRSCMMGCXEXEQ-SJKOYZFVSA-N -1 3 382.855 3.364 20 0 GGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000175878793 1427947893 /nfs/dbraw/zinc/94/78/93/1427947893.db2.gz YPRNKRCBHXJNEO-CQSZACIVSA-N -1 3 378.469 3.175 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1noc(Cc2ccccc2)n1 ZINC000175878166 1427947927 /nfs/dbraw/zinc/94/79/27/1427947927.db2.gz TXKYQNZBLZZJRE-CQSZACIVSA-N -1 3 394.456 3.248 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)c(C)o1 ZINC000175884252 1427950548 /nfs/dbraw/zinc/95/05/48/1427950548.db2.gz OSUXTLFFCRIJPN-UHFFFAOYSA-N -1 3 389.477 3.359 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CCc2ccccc2)C2CCCC2)c(C)o1 ZINC000175898884 1427959052 /nfs/dbraw/zinc/95/90/52/1427959052.db2.gz FZLMWVKBLCBEFL-UHFFFAOYSA-N -1 3 390.505 3.124 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c(C)o1 ZINC000175900046 1427959815 /nfs/dbraw/zinc/95/98/15/1427959815.db2.gz KMDXEMXIUQEQEE-INIZCTEOSA-N -1 3 376.478 3.039 20 0 GGADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000175901885 1427960484 /nfs/dbraw/zinc/96/04/84/1427960484.db2.gz LQRWFPDEZIDPNV-WMZOPIPTSA-N -1 3 390.505 3.295 20 0 GGADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000175901918 1427960583 /nfs/dbraw/zinc/96/05/83/1427960583.db2.gz LQRWFPDEZIDPNV-FUHWJXTLSA-N -1 3 390.505 3.295 20 0 GGADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000175901903 1427960618 /nfs/dbraw/zinc/96/06/18/1427960618.db2.gz LQRWFPDEZIDPNV-AEFFLSMTSA-N -1 3 390.505 3.295 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC(F)(F)F)c(C)o1 ZINC000175928881 1427979242 /nfs/dbraw/zinc/97/92/42/1427979242.db2.gz OSHNHCKSVKRQER-UHFFFAOYSA-N -1 3 394.396 3.360 20 0 GGADHM Clc1cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc2c1OCCCO2 ZINC000826351061 1427987267 /nfs/dbraw/zinc/98/72/67/1427987267.db2.gz VZJIVYNPJOIGBK-UHFFFAOYSA-N -1 3 397.866 3.460 20 0 GGADHM Cc1ccnc(N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826312730 1427993569 /nfs/dbraw/zinc/99/35/69/1427993569.db2.gz NAVGHEPINVYNTN-SJLPKXTDSA-N -1 3 399.449 3.484 20 0 GGADHM CCCCOc1cc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1OC ZINC000825291611 1428000627 /nfs/dbraw/zinc/00/06/27/1428000627.db2.gz VAYBJCNCGSTJGU-UHFFFAOYSA-N -1 3 397.479 3.353 20 0 GGADHM CCCCOc1cc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1OC ZINC000825291611 1428000633 /nfs/dbraw/zinc/00/06/33/1428000633.db2.gz VAYBJCNCGSTJGU-UHFFFAOYSA-N -1 3 397.479 3.353 20 0 GGADHM COc1cccc([C@@H]2C[C@H](C)CN2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826215312 1428009001 /nfs/dbraw/zinc/00/90/01/1428009001.db2.gz LOIRDSASVPXPPV-LIRRHRJNSA-N -1 3 379.464 3.467 20 0 GGADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)N1CCc2sccc2C1 ZINC000824436213 1428023976 /nfs/dbraw/zinc/02/39/76/1428023976.db2.gz QOWBCEBSOOMGQS-CYBMUJFWSA-N -1 3 395.536 3.061 20 0 GGADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)N1CCc2sccc2C1 ZINC000824436213 1428023983 /nfs/dbraw/zinc/02/39/83/1428023983.db2.gz QOWBCEBSOOMGQS-CYBMUJFWSA-N -1 3 395.536 3.061 20 0 GGADHM COc1cc([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821708354 1428047821 /nfs/dbraw/zinc/04/78/21/1428047821.db2.gz NUPZVRBIXUKPIB-OLZOCXBDSA-N -1 3 383.452 3.304 20 0 GGADHM COc1cc([C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821708354 1428047827 /nfs/dbraw/zinc/04/78/27/1428047827.db2.gz NUPZVRBIXUKPIB-OLZOCXBDSA-N -1 3 383.452 3.304 20 0 GGADHM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000176094386 1428079722 /nfs/dbraw/zinc/07/97/22/1428079722.db2.gz XAHKXRNIAIPLCV-UHFFFAOYSA-N -1 3 378.763 3.032 20 0 GGADHM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000176094386 1428079729 /nfs/dbraw/zinc/07/97/29/1428079729.db2.gz XAHKXRNIAIPLCV-UHFFFAOYSA-N -1 3 378.763 3.032 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)c(C)o1 ZINC000176102881 1428084211 /nfs/dbraw/zinc/08/42/11/1428084211.db2.gz SXDDHKCCOWJXGT-UHFFFAOYSA-N -1 3 398.484 3.402 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000176110056 1428088629 /nfs/dbraw/zinc/08/86/29/1428088629.db2.gz BTWPNGHBHIMAKJ-GOSISDBHSA-N -1 3 395.503 3.108 20 0 GGADHM Cc1cc([C@@H](N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262437 1428094733 /nfs/dbraw/zinc/09/47/33/1428094733.db2.gz OQXVXCUAIQAKCK-DJJJIMSYSA-N -1 3 394.454 3.382 20 0 GGADHM Cc1cc([C@@H](N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262437 1428094739 /nfs/dbraw/zinc/09/47/39/1428094739.db2.gz OQXVXCUAIQAKCK-DJJJIMSYSA-N -1 3 394.454 3.382 20 0 GGADHM CCC(=O)Nc1cccc(CN[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825034150 1428103121 /nfs/dbraw/zinc/10/31/21/1428103121.db2.gz FELJMMJKRLBRAU-IBGZPJMESA-N -1 3 376.464 3.382 20 0 GGADHM CCC(=O)Nc1cccc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825034150 1428103124 /nfs/dbraw/zinc/10/31/24/1428103124.db2.gz FELJMMJKRLBRAU-IBGZPJMESA-N -1 3 376.464 3.382 20 0 GGADHM COc1cc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(SC)cc1OC ZINC000821717563 1428113272 /nfs/dbraw/zinc/11/32/72/1428113272.db2.gz QSGLTDGKVXWWCS-GFCCVEGCSA-N -1 3 385.493 3.457 20 0 GGADHM COc1cc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(SC)cc1OC ZINC000821717563 1428113277 /nfs/dbraw/zinc/11/32/77/1428113277.db2.gz QSGLTDGKVXWWCS-GFCCVEGCSA-N -1 3 385.493 3.457 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2C)c(C)o1 ZINC000176158030 1428126938 /nfs/dbraw/zinc/12/69/38/1428126938.db2.gz OSBYAHUNMAAJBI-QGZVFWFLSA-N -1 3 376.478 3.090 20 0 GGADHM CCC[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000176170482 1428135831 /nfs/dbraw/zinc/13/58/31/1428135831.db2.gz IDYKOGLCAMHHLS-INIZCTEOSA-N -1 3 378.494 3.027 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176169646 1428136097 /nfs/dbraw/zinc/13/60/97/1428136097.db2.gz MGPVADYUASRCOR-HNNXBMFYSA-N -1 3 380.466 3.019 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737420617 1428149004 /nfs/dbraw/zinc/14/90/04/1428149004.db2.gz KMZUZGHPTAIDFJ-BRWVUGGUSA-N -1 3 390.491 3.380 20 0 GGADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176206302 1428166586 /nfs/dbraw/zinc/16/65/86/1428166586.db2.gz CEVOGUAJZGPLFG-BLLLJJGKSA-N -1 3 394.493 3.265 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC[C@@H]1c1ccccc1 ZINC000176212316 1428171630 /nfs/dbraw/zinc/17/16/30/1428171630.db2.gz WEFQLSGEAMMNOM-WBVHZDCISA-N -1 3 390.505 3.152 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000176250084 1428195606 /nfs/dbraw/zinc/19/56/06/1428195606.db2.gz LNXKWNAYLNBNMG-KRWDZBQOSA-N -1 3 392.521 3.288 20 0 GGADHM CC(C)(C)C[C@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180186152 1429790648 /nfs/dbraw/zinc/79/06/48/1429790648.db2.gz MMTYKZPHVURERM-UYAOXDASSA-N -1 3 398.503 3.167 20 0 GGADHM CCOCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000180286810 1429825376 /nfs/dbraw/zinc/82/53/76/1429825376.db2.gz WYYFVFZSIAJEPM-UHFFFAOYSA-N -1 3 390.505 3.213 20 0 GGADHM CCOCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000180289042 1429825921 /nfs/dbraw/zinc/82/59/21/1429825921.db2.gz UQNQSCHIYQSUHM-UHFFFAOYSA-N -1 3 394.468 3.043 20 0 GGADHM COC(=O)c1cccc2[nH]c([N-]S(=O)(=O)C3=Cc4ccccc4CC3)nc21 ZINC000180306777 1429831844 /nfs/dbraw/zinc/83/18/44/1429831844.db2.gz ZSOQKHIZEJUHBO-UHFFFAOYSA-N -1 3 383.429 3.079 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1 ZINC000180357919 1429845227 /nfs/dbraw/zinc/84/52/27/1429845227.db2.gz UWEWYYQJDDAKJZ-AWEZNQCLSA-N -1 3 397.447 3.413 20 0 GGADHM COc1ccccc1CC1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000737151742 1429860467 /nfs/dbraw/zinc/86/04/67/1429860467.db2.gz DIVDWBRVWDKILL-UHFFFAOYSA-N -1 3 381.455 3.469 20 0 GGADHM COc1ccccc1CC1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000737151742 1429860473 /nfs/dbraw/zinc/86/04/73/1429860473.db2.gz DIVDWBRVWDKILL-UHFFFAOYSA-N -1 3 381.455 3.469 20 0 GGADHM CCCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000825322630 1429862204 /nfs/dbraw/zinc/86/22/04/1429862204.db2.gz GTKROEUIMAKCCY-OAHLLOKOSA-N -1 3 394.479 3.115 20 0 GGADHM Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826330879 1429909573 /nfs/dbraw/zinc/90/95/73/1429909573.db2.gz LWNBBNKEGFIWFW-GFCCVEGCSA-N -1 3 395.417 3.490 20 0 GGADHM Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826330879 1429909576 /nfs/dbraw/zinc/90/95/76/1429909576.db2.gz LWNBBNKEGFIWFW-GFCCVEGCSA-N -1 3 395.417 3.490 20 0 GGADHM C[C@H](COc1ccc(F)cc1F)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824441347 1429909890 /nfs/dbraw/zinc/90/98/90/1429909890.db2.gz OWIXNHURHLINND-GHMZBOCLSA-N -1 3 377.370 3.402 20 0 GGADHM C[C@H](COc1ccc(F)cc1F)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824441347 1429909892 /nfs/dbraw/zinc/90/98/92/1429909892.db2.gz OWIXNHURHLINND-GHMZBOCLSA-N -1 3 377.370 3.402 20 0 GGADHM C[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(OCc2ccccn2)c1 ZINC000824624650 1430008979 /nfs/dbraw/zinc/00/89/79/1430008979.db2.gz AYMYKOLHSKREDB-HNNXBMFYSA-N -1 3 387.447 3.087 20 0 GGADHM C[C@H](NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(OCc2ccccn2)c1 ZINC000824624650 1430008986 /nfs/dbraw/zinc/00/89/86/1430008986.db2.gz AYMYKOLHSKREDB-HNNXBMFYSA-N -1 3 387.447 3.087 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(F)cc1F ZINC000180743686 1430012992 /nfs/dbraw/zinc/01/29/92/1430012992.db2.gz WQMSQCJEYZKNDO-DOTOQJQBSA-N -1 3 389.370 3.360 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(F)cc1F ZINC000180743728 1430013230 /nfs/dbraw/zinc/01/32/30/1430013230.db2.gz WQMSQCJEYZKNDO-RDJZCZTQSA-N -1 3 389.370 3.360 20 0 GGADHM Cc1cc(C(=O)NN=c2ccc(C(F)(F)F)n[n-]2)nn1-c1ccccc1Cl ZINC000180780805 1430034967 /nfs/dbraw/zinc/03/49/67/1430034967.db2.gz RTAAUESSTKMPAT-UHFFFAOYSA-N -1 3 396.760 3.400 20 0 GGADHM O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000180844967 1430066913 /nfs/dbraw/zinc/06/69/13/1430066913.db2.gz FORUNYCLJHKLJJ-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000180848703 1430068330 /nfs/dbraw/zinc/06/83/30/1430068330.db2.gz LCIOQBHGOSCTDJ-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM O=C(Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1)N1CCc2ccccc21 ZINC000180850971 1430069356 /nfs/dbraw/zinc/06/93/56/1430069356.db2.gz NJPBOPVDRFHHIS-UHFFFAOYSA-N -1 3 388.423 3.482 20 0 GGADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000180856805 1430072566 /nfs/dbraw/zinc/07/25/66/1430072566.db2.gz CLAYIVSNVJFDFF-MRXNPFEDSA-N -1 3 376.403 3.285 20 0 GGADHM COC(=O)[C@H](CC(C)(C)C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000180884654 1430088649 /nfs/dbraw/zinc/08/86/49/1430088649.db2.gz RVVBQJJWDSYIRI-AWEZNQCLSA-N -1 3 386.477 3.179 20 0 GGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc(-c2ccccn2)n1 ZINC000180887940 1430090744 /nfs/dbraw/zinc/09/07/44/1430090744.db2.gz WXIZYHLWMMCTKD-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197764 1430106213 /nfs/dbraw/zinc/10/62/13/1430106213.db2.gz OSVBYTAMKZLDJB-MRXNPFEDSA-N -1 3 382.512 3.042 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197764 1430106215 /nfs/dbraw/zinc/10/62/15/1430106215.db2.gz OSVBYTAMKZLDJB-MRXNPFEDSA-N -1 3 382.512 3.042 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)[n-]n1 ZINC000180930902 1430121157 /nfs/dbraw/zinc/12/11/57/1430121157.db2.gz SOKKJPIAEGYBAI-ZDUSSCGKSA-N -1 3 394.431 3.383 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)n[n-]1 ZINC000180930902 1430121164 /nfs/dbraw/zinc/12/11/64/1430121164.db2.gz SOKKJPIAEGYBAI-ZDUSSCGKSA-N -1 3 394.431 3.383 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[n-]n1 ZINC000180930506 1430121607 /nfs/dbraw/zinc/12/16/07/1430121607.db2.gz VYKSKKVWRYCBDV-UHFFFAOYSA-N -1 3 394.218 3.331 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)n[n-]1 ZINC000180930506 1430121613 /nfs/dbraw/zinc/12/16/13/1430121613.db2.gz VYKSKKVWRYCBDV-UHFFFAOYSA-N -1 3 394.218 3.331 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)[n-]n1 ZINC000180931399 1430121666 /nfs/dbraw/zinc/12/16/66/1430121666.db2.gz RWZVCECJMJQBJC-UHFFFAOYSA-N -1 3 387.827 3.045 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)n[n-]1 ZINC000180931399 1430121671 /nfs/dbraw/zinc/12/16/71/1430121671.db2.gz RWZVCECJMJQBJC-UHFFFAOYSA-N -1 3 387.827 3.045 20 0 GGADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000736331518 1430129537 /nfs/dbraw/zinc/12/95/37/1430129537.db2.gz QAZDRUJNZJXXJB-NWDGAFQWSA-N -1 3 376.892 3.358 20 0 GGADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000736331518 1430129540 /nfs/dbraw/zinc/12/95/40/1430129540.db2.gz QAZDRUJNZJXXJB-NWDGAFQWSA-N -1 3 376.892 3.358 20 0 GGADHM Cc1cc(CNCCOc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)cc1C ZINC000822200868 1430138263 /nfs/dbraw/zinc/13/82/63/1430138263.db2.gz GBSVZKYQNUMUKC-UHFFFAOYSA-N -1 3 389.406 3.254 20 0 GGADHM Cc1cc(CNCCOc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)cc1C ZINC000822200868 1430138266 /nfs/dbraw/zinc/13/82/66/1430138266.db2.gz GBSVZKYQNUMUKC-UHFFFAOYSA-N -1 3 389.406 3.254 20 0 GGADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820684384 1430148252 /nfs/dbraw/zinc/14/82/52/1430148252.db2.gz OVNGRJQZFDLISE-GJZGRUSLSA-N -1 3 392.463 3.470 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)C[C@H]1CC=CCC1 ZINC000824052138 1430184234 /nfs/dbraw/zinc/18/42/34/1430184234.db2.gz LOTPZECMNXCYND-OLZOCXBDSA-N -1 3 386.525 3.032 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)C[C@H]1CC=CCC1 ZINC000824052138 1430184236 /nfs/dbraw/zinc/18/42/36/1430184236.db2.gz LOTPZECMNXCYND-OLZOCXBDSA-N -1 3 386.525 3.032 20 0 GGADHM C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)[C@H]2CCCC[C@H]12 ZINC000736277871 1430185752 /nfs/dbraw/zinc/18/57/52/1430185752.db2.gz ZKMBYDRQMCRBQJ-MRRJBJDNSA-N -1 3 388.903 3.359 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c1 ZINC000181053626 1430188198 /nfs/dbraw/zinc/18/81/98/1430188198.db2.gz YGXWEXCXJUZYFR-UHFFFAOYSA-N -1 3 394.468 3.173 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c(C)c1F ZINC000181132911 1430221272 /nfs/dbraw/zinc/22/12/72/1430221272.db2.gz RARDNMMEGNLWIU-UHFFFAOYSA-N -1 3 379.388 3.268 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c(C)c1F ZINC000181149251 1430227187 /nfs/dbraw/zinc/22/71/87/1430227187.db2.gz UEKANWWTHJVUBP-UHFFFAOYSA-N -1 3 396.509 3.497 20 0 GGADHM O=C(CCN1CCC[C@H]1c1ccccn1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822963952 1430231765 /nfs/dbraw/zinc/23/17/65/1430231765.db2.gz BLCPJEKWROTMEG-KRWDZBQOSA-N -1 3 397.870 3.081 20 0 GGADHM CC(Cl)(Cl)C(=O)[N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181182738 1430240460 /nfs/dbraw/zinc/24/04/60/1430240460.db2.gz HFAJOZVURWJODS-NSHDSACASA-N -1 3 381.206 3.093 20 0 GGADHM Cc1cnc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC000181288376 1430263789 /nfs/dbraw/zinc/26/37/89/1430263789.db2.gz OGVTZULDJWUOKI-UHFFFAOYSA-N -1 3 390.392 3.280 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c(C)c1F ZINC000181319170 1430271943 /nfs/dbraw/zinc/27/19/43/1430271943.db2.gz WNQFNHSBMOYOSJ-UHFFFAOYSA-N -1 3 379.388 3.268 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C([O-])=C(C#N)c3ccccn3)cn2)C1 ZINC000181484932 1430308606 /nfs/dbraw/zinc/30/86/06/1430308606.db2.gz NQFKAXXJHXIAQQ-SJORKVTESA-N -1 3 395.463 3.340 20 0 GGADHM O=S(=O)([N-]Cc1nccn1CCc1ccccc1)c1ccc(Cl)cc1F ZINC000181721652 1430347375 /nfs/dbraw/zinc/34/73/75/1430347375.db2.gz GUZUBVDEQQDVKX-UHFFFAOYSA-N -1 3 393.871 3.397 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nnnn3C3CC3)c2)cc1 ZINC000181799467 1430363273 /nfs/dbraw/zinc/36/32/73/1430363273.db2.gz KXSPXMOLXNOBJA-UHFFFAOYSA-N -1 3 399.476 3.183 20 0 GGADHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000181865168 1430374033 /nfs/dbraw/zinc/37/40/33/1430374033.db2.gz REOREERHUDTJEC-UHFFFAOYSA-N -1 3 391.884 3.202 20 0 GGADHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(C)n1-c1cccc(Cl)c1 ZINC000181865342 1430374190 /nfs/dbraw/zinc/37/41/90/1430374190.db2.gz MNORGEMYPRQKGM-UHFFFAOYSA-N -1 3 391.884 3.202 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)n[n-]2)o1 ZINC000181888578 1430378367 /nfs/dbraw/zinc/37/83/67/1430378367.db2.gz JZNYNITVMQSESU-QGZVFWFLSA-N -1 3 379.420 3.065 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCCOC)C3)cc1 ZINC000182016854 1430397015 /nfs/dbraw/zinc/39/70/15/1430397015.db2.gz DUTSMXNZGLCWJD-UHFFFAOYSA-N -1 3 390.505 3.238 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c(=O)[n-]1 ZINC000182021842 1430397866 /nfs/dbraw/zinc/39/78/66/1430397866.db2.gz MQACIRSEIDLNDW-MRXNPFEDSA-N -1 3 375.856 3.003 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2sc(C(C)C)nc2C)c(C)o1 ZINC000182066914 1430405042 /nfs/dbraw/zinc/40/50/42/1430405042.db2.gz YMMZRIFSBKPPIY-NSHDSACASA-N -1 3 386.495 3.302 20 0 GGADHM COc1cccc([C@H]2[C@H](C(=O)Nc3cccc([O-])c3F)CC(=O)N2C2CC2)c1 ZINC000182079119 1430407637 /nfs/dbraw/zinc/40/76/37/1430407637.db2.gz RZPMVUVPACXYMZ-QRWLVFNGSA-N -1 3 384.407 3.231 20 0 GGADHM COc1ccc(-n2nnc(C(=O)[N-]c3nc(-c4cccs4)ns3)c2C)cc1 ZINC000182143295 1430419368 /nfs/dbraw/zinc/41/93/68/1430419368.db2.gz SKZSQBSXUHDSNP-UHFFFAOYSA-N -1 3 398.473 3.417 20 0 GGADHM O=c1nc(COc2nnc(-c3ccccc3)o2)[n-]c2sc3c(c21)CCCC3 ZINC000182290269 1430443374 /nfs/dbraw/zinc/44/33/74/1430443374.db2.gz FFDDEYGAXDGXIZ-UHFFFAOYSA-N -1 3 380.429 3.492 20 0 GGADHM CCN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000182317049 1430447666 /nfs/dbraw/zinc/44/76/66/1430447666.db2.gz HYCWYMJDRSCKNS-LJQANCHMSA-N -1 3 378.428 3.126 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cn(C)nc2-c2ccccc2)cc1F ZINC000182327518 1430449207 /nfs/dbraw/zinc/44/92/07/1430449207.db2.gz PBRLTGYGAFJGJM-UHFFFAOYSA-N -1 3 377.416 3.152 20 0 GGADHM Cc1sc2ncn([N-]C(=O)c3cnc(C)nc3C)c(=O)c2c1-c1ccccc1 ZINC000182346359 1430451571 /nfs/dbraw/zinc/45/15/71/1430451571.db2.gz BIIVSKCLMKUKLC-UHFFFAOYSA-N -1 3 391.456 3.224 20 0 GGADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000182434119 1430467385 /nfs/dbraw/zinc/46/73/85/1430467385.db2.gz JEDBVMKXJGVMHK-FQEVSTJZSA-N -1 3 375.428 3.311 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccsc1)c1ccc(Cl)cc1C(F)(F)F ZINC000182465818 1430472176 /nfs/dbraw/zinc/47/21/76/1430472176.db2.gz XYHWAESJTXMERH-NSHDSACASA-N -1 3 385.816 3.432 20 0 GGADHM O=C(Nc1ccc(-c2ncco2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000182589657 1430498444 /nfs/dbraw/zinc/49/84/44/1430498444.db2.gz PECPJCLNEWKGNT-UHFFFAOYSA-N -1 3 392.415 3.037 20 0 GGADHM COc1ccc(OC)c(-c2csc(NC(=O)c3cccc4n[n-]nc43)n2)c1 ZINC000182688180 1430517601 /nfs/dbraw/zinc/51/76/01/1430517601.db2.gz WJDDWDYOJBXMEG-UHFFFAOYSA-N -1 3 381.417 3.351 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)c1 ZINC000182867901 1430557138 /nfs/dbraw/zinc/55/71/38/1430557138.db2.gz SFLGODSGZDXSDL-KRWDZBQOSA-N -1 3 392.390 3.290 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)cc1 ZINC000182871447 1430558322 /nfs/dbraw/zinc/55/83/22/1430558322.db2.gz SQSZXEDLJUSLDR-QGZVFWFLSA-N -1 3 392.390 3.290 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)cc1 ZINC000182871469 1430558691 /nfs/dbraw/zinc/55/86/91/1430558691.db2.gz SQSZXEDLJUSLDR-KRWDZBQOSA-N -1 3 392.390 3.290 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOCC12CCC2 ZINC000182882592 1430561456 /nfs/dbraw/zinc/56/14/56/1430561456.db2.gz JLQUNLGLCNPURZ-FQEVSTJZSA-N -1 3 394.471 3.035 20 0 GGADHM Cc1csc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000182947354 1430578206 /nfs/dbraw/zinc/57/82/06/1430578206.db2.gz LZCHJEZDIXHKGC-SFHVURJKSA-N -1 3 395.484 3.335 20 0 GGADHM Cc1ccc(NCC(=O)N[N-]C(=O)c2cccc(Br)c2Cl)cc1 ZINC000182972821 1430583487 /nfs/dbraw/zinc/58/34/87/1430583487.db2.gz XPYIZXAWIHOHTR-UHFFFAOYSA-N -1 3 396.672 3.284 20 0 GGADHM CC(C)(C)OC(=O)NCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000182994546 1430588075 /nfs/dbraw/zinc/58/80/75/1430588075.db2.gz MSYWYMBAZKFJIQ-UHFFFAOYSA-N -1 3 380.869 3.062 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)[n-]n1 ZINC000182995909 1430588561 /nfs/dbraw/zinc/58/85/61/1430588561.db2.gz IKDRNUFWKXVFBP-UHFFFAOYSA-N -1 3 378.360 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[n-]1 ZINC000182995909 1430588564 /nfs/dbraw/zinc/58/85/64/1430588564.db2.gz IKDRNUFWKXVFBP-UHFFFAOYSA-N -1 3 378.360 3.240 20 0 GGADHM Cn1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C2CCCCC2)n1 ZINC000183002339 1430590184 /nfs/dbraw/zinc/59/01/84/1430590184.db2.gz SQFJZZCSVIVIGT-UHFFFAOYSA-N -1 3 382.508 3.131 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)c1ccco1 ZINC000183029543 1430596300 /nfs/dbraw/zinc/59/63/00/1430596300.db2.gz DEHITUGNOUOBBV-QGZVFWFLSA-N -1 3 388.445 3.057 20 0 GGADHM Cc1nc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)sc1C ZINC000183053870 1430601273 /nfs/dbraw/zinc/60/12/73/1430601273.db2.gz ZWWVEMHQEVKUSE-UHFFFAOYSA-N -1 3 387.234 3.128 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000183065805 1430603551 /nfs/dbraw/zinc/60/35/51/1430603551.db2.gz KTMFXZFKRJJOAZ-AWEZNQCLSA-N -1 3 396.413 3.166 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000183068152 1430604802 /nfs/dbraw/zinc/60/48/02/1430604802.db2.gz ZCYBPJRVSLHOMF-CQSZACIVSA-N -1 3 396.413 3.166 20 0 GGADHM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C)c(C)cc2Cl)C1=O ZINC000183082590 1430608752 /nfs/dbraw/zinc/60/87/52/1430608752.db2.gz QXLVVIDPFFPLMC-FQEVSTJZSA-N -1 3 385.851 3.459 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cc(Br)ccc1F ZINC000183159979 1430633230 /nfs/dbraw/zinc/63/32/30/1430633230.db2.gz FKSILCWAHYZWGR-UHFFFAOYSA-N -1 3 393.212 3.303 20 0 GGADHM Cc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(Sc2ccccc2)c1 ZINC000183185619 1430642055 /nfs/dbraw/zinc/64/20/55/1430642055.db2.gz WLQRUVUZFIKYCR-UHFFFAOYSA-N -1 3 377.469 3.428 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)[N-]c3n[nH]c(Cc4cccc(F)c4)n3)c2nc1C ZINC000183253987 1430660416 /nfs/dbraw/zinc/66/04/16/1430660416.db2.gz DXCURXGIVJJDHV-UHFFFAOYSA-N -1 3 394.385 3.486 20 0 GGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cn(-c2ccccc2Cl)nn1 ZINC000183256933 1430661665 /nfs/dbraw/zinc/66/16/65/1430661665.db2.gz XAEDGANPATUURK-UHFFFAOYSA-N -1 3 397.801 3.021 20 0 GGADHM CN(CC(F)(F)F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183260705 1430662618 /nfs/dbraw/zinc/66/26/18/1430662618.db2.gz SCAJEKXAWUTRIJ-INIZCTEOSA-N -1 3 380.366 3.274 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)[n-]n1 ZINC000183276338 1430667799 /nfs/dbraw/zinc/66/77/99/1430667799.db2.gz SFVMUOZLTIWRHO-UHFFFAOYSA-N -1 3 394.218 3.331 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n[n-]1 ZINC000183276338 1430667807 /nfs/dbraw/zinc/66/78/07/1430667807.db2.gz SFVMUOZLTIWRHO-UHFFFAOYSA-N -1 3 394.218 3.331 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1nccs1 ZINC000183280503 1430668567 /nfs/dbraw/zinc/66/85/67/1430668567.db2.gz VSGPMYWJOHVXGW-KRWDZBQOSA-N -1 3 381.457 3.026 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3ccccc3)cs2)c1 ZINC000183289335 1430670196 /nfs/dbraw/zinc/67/01/96/1430670196.db2.gz UPEGXOLRZNOLSX-UHFFFAOYSA-N -1 3 381.457 3.268 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)Cc3cccnc3)cs2)c1 ZINC000183310231 1430675285 /nfs/dbraw/zinc/67/52/85/1430675285.db2.gz SCLCLVQHACPWAS-UHFFFAOYSA-N -1 3 396.472 3.006 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)Cc3ccco3)cs2)c1 ZINC000183311933 1430676003 /nfs/dbraw/zinc/67/60/03/1430676003.db2.gz PVTFCRYHDYEMHK-UHFFFAOYSA-N -1 3 385.445 3.204 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183342351 1430683499 /nfs/dbraw/zinc/68/34/99/1430683499.db2.gz XXCYVAOJFLRERU-GOSISDBHSA-N -1 3 378.432 3.232 20 0 GGADHM CCN(C[C@H]1CCCO1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183367847 1430691864 /nfs/dbraw/zinc/69/18/64/1430691864.db2.gz RGPUUNLEBYQHHR-NHCUHLMSSA-N -1 3 396.487 3.281 20 0 GGADHM CCn1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(=O)c2cc(Cl)ccc21 ZINC000183388716 1430698158 /nfs/dbraw/zinc/69/81/58/1430698158.db2.gz GMHKQXSJLVLXOU-UHFFFAOYSA-N -1 3 383.795 3.305 20 0 GGADHM O=C(NNC(=O)c1cc(Cl)ccc1[O-])Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000183395723 1430700986 /nfs/dbraw/zinc/70/09/86/1430700986.db2.gz POPYPAGBZSZTQX-UHFFFAOYSA-N -1 3 395.753 3.326 20 0 GGADHM CCN1CCN(Cc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2)CC1 ZINC000183400270 1430701825 /nfs/dbraw/zinc/70/18/25/1430701825.db2.gz WMQVZRMKEWHFMO-UHFFFAOYSA-N -1 3 393.409 3.199 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc3n[n-]nc32)C1 ZINC000183400672 1430701841 /nfs/dbraw/zinc/70/18/41/1430701841.db2.gz ZZPDRPDINFEROB-KBPBESRZSA-N -1 3 377.448 3.328 20 0 GGADHM Cc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cnc1Br ZINC000183404845 1430702820 /nfs/dbraw/zinc/70/28/20/1430702820.db2.gz ILRQXJVODXFBCY-UHFFFAOYSA-N -1 3 386.227 3.003 20 0 GGADHM Cc1noc(C)c1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183412115 1430704849 /nfs/dbraw/zinc/70/48/49/1430704849.db2.gz BIVCIKZQMOSBIR-HXUWFJFHSA-N -1 3 393.443 3.175 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cc(C)ccc2Br)c([O-])c1 ZINC000183415656 1430706177 /nfs/dbraw/zinc/70/61/77/1430706177.db2.gz HLBQYDSWEMVRNQ-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1cc(F)cc(F)c1 ZINC000183419878 1430707207 /nfs/dbraw/zinc/70/72/07/1430707207.db2.gz IVXXNBMZHGXXIP-UHFFFAOYSA-N -1 3 388.143 3.333 20 0 GGADHM Cc1cc(NC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)ccn1 ZINC000183434736 1430710819 /nfs/dbraw/zinc/71/08/19/1430710819.db2.gz FNAFLRBUDUYLJO-UHFFFAOYSA-N -1 3 383.633 3.272 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183467133 1430718913 /nfs/dbraw/zinc/71/89/13/1430718913.db2.gz MHBNQYMIXVQPHJ-JTQLQIEISA-N -1 3 398.419 3.079 20 0 GGADHM CCn1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c(=O)c2cc(Cl)ccc21 ZINC000183482531 1430723653 /nfs/dbraw/zinc/72/36/53/1430723653.db2.gz GDOKXDHSZVJDMV-UHFFFAOYSA-N -1 3 394.822 3.107 20 0 GGADHM CC[C@@H](C)Oc1cc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)ccn1 ZINC000183500889 1430728892 /nfs/dbraw/zinc/72/88/92/1430728892.db2.gz BUWCNBGPWSJIRX-GFCCVEGCSA-N -1 3 398.488 3.293 20 0 GGADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1c(C)noc1C ZINC000183515659 1430732835 /nfs/dbraw/zinc/73/28/35/1430732835.db2.gz PUZIWYRMAQDSRY-MRXNPFEDSA-N -1 3 398.419 3.427 20 0 GGADHM CCCN(CC(F)F)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183518813 1430733373 /nfs/dbraw/zinc/73/33/73/1430733373.db2.gz URVILQMMEMFTFZ-UHFFFAOYSA-N -1 3 397.447 3.456 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1nccs1 ZINC000183530570 1430735944 /nfs/dbraw/zinc/73/59/44/1430735944.db2.gz FLKLADREXVJMKW-GOSISDBHSA-N -1 3 395.484 3.069 20 0 GGADHM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cccc2n[n-]nc21 ZINC000183530631 1430735985 /nfs/dbraw/zinc/73/59/85/1430735985.db2.gz GBSHBBYMZFOSAH-UHFFFAOYSA-N -1 3 383.839 3.490 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CCC(C)C)cs2)c1 ZINC000183554106 1430741091 /nfs/dbraw/zinc/74/10/91/1430741091.db2.gz YOOBVGAESCAASE-UHFFFAOYSA-N -1 3 375.494 3.456 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CCSCC1 ZINC000183560240 1430742128 /nfs/dbraw/zinc/74/21/28/1430742128.db2.gz WVMDOUOCGHMLOA-LJQANCHMSA-N -1 3 384.501 3.265 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H]3CC=CCC3)cs2)c1 ZINC000183607445 1430753090 /nfs/dbraw/zinc/75/30/90/1430753090.db2.gz JYJUSWHKEIFKSB-AWEZNQCLSA-N -1 3 385.489 3.424 20 0 GGADHM Cc1csc(C2(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])CCCC2)n1 ZINC000183611015 1430754176 /nfs/dbraw/zinc/75/41/76/1430754176.db2.gz JBJBGRLLQKPNBN-UHFFFAOYSA-N -1 3 387.505 3.171 20 0 GGADHM O=C(CCc1ccccc1)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000183632680 1430759345 /nfs/dbraw/zinc/75/93/45/1430759345.db2.gz QHLHPPRTLLTJHB-UHFFFAOYSA-N -1 3 381.657 3.496 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(F)ccc3C2)c1 ZINC000183686898 1430773076 /nfs/dbraw/zinc/77/30/76/1430773076.db2.gz RANHSNOXPNUGAG-UHFFFAOYSA-N -1 3 395.390 3.279 20 0 GGADHM CN(C[C@H]1CCCOC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183716679 1430779901 /nfs/dbraw/zinc/77/99/01/1430779901.db2.gz NXQFYKMSQRHTLD-DYESRHJHSA-N -1 3 396.487 3.138 20 0 GGADHM CCC(CC)[C@@H](O)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183765536 1430789433 /nfs/dbraw/zinc/78/94/33/1430789433.db2.gz PKCHQILFXHTQOK-RTWAWAEBSA-N -1 3 398.503 3.167 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1Cl ZINC000183776507 1430791544 /nfs/dbraw/zinc/79/15/44/1430791544.db2.gz DJQZCUXXQMMQOB-AWEZNQCLSA-N -1 3 395.695 3.228 20 0 GGADHM COCc1ccccc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000183842016 1430803792 /nfs/dbraw/zinc/80/37/92/1430803792.db2.gz UXJOZFDWCKQKSD-UHFFFAOYSA-N -1 3 396.216 3.201 20 0 GGADHM O=C([N-]N1Cc2ccccc2C1=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000183896841 1430810070 /nfs/dbraw/zinc/81/00/70/1430810070.db2.gz URSCOGADGOBELF-UHFFFAOYSA-N -1 3 387.226 3.480 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000183896102 1430810109 /nfs/dbraw/zinc/81/01/09/1430810109.db2.gz GWIOZRBQPMTDSQ-GFCCVEGCSA-N -1 3 386.349 3.293 20 0 GGADHM COCCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000183909473 1430811936 /nfs/dbraw/zinc/81/19/36/1430811936.db2.gz CLMGPBUNNWMYEA-UHFFFAOYSA-N -1 3 382.888 3.285 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2OCC(F)F)c([O-])c1 ZINC000183951429 1430817654 /nfs/dbraw/zinc/81/76/54/1430817654.db2.gz BKLPQIQEUWFDBJ-UHFFFAOYSA-N -1 3 396.365 3.242 20 0 GGADHM C[C@@H](O)CC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183993211 1430825483 /nfs/dbraw/zinc/82/54/83/1430825483.db2.gz BSCLPKWKNDNOAS-UZLBHIALSA-N -1 3 398.503 3.167 20 0 GGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000183999377 1430826541 /nfs/dbraw/zinc/82/65/41/1430826541.db2.gz VZHGAEDKTVMLPF-HXUWFJFHSA-N -1 3 391.464 3.353 20 0 GGADHM Cc1nn(C(C)(C)C)cc1C(=O)[N-]NC(=O)CSc1ccc(Cl)cc1 ZINC000184013937 1430829030 /nfs/dbraw/zinc/82/90/30/1430829030.db2.gz KPBYZZCJGRUHQM-UHFFFAOYSA-N -1 3 380.901 3.153 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184019978 1430830115 /nfs/dbraw/zinc/83/01/15/1430830115.db2.gz QIKJSUJFMJQXSS-GFCCVEGCSA-N -1 3 375.419 3.284 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184019959 1430830133 /nfs/dbraw/zinc/83/01/33/1430830133.db2.gz QIKJSUJFMJQXSS-LBPRGKRZSA-N -1 3 375.419 3.284 20 0 GGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1ccccc1OC ZINC000184038780 1430832755 /nfs/dbraw/zinc/83/27/55/1430832755.db2.gz QSILBKXRKGSWSD-UHFFFAOYSA-N -1 3 392.419 3.382 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(C)nc3)cs2)c1 ZINC000184059711 1430835886 /nfs/dbraw/zinc/83/58/86/1430835886.db2.gz WQUNRIBKJNYRQN-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM CCCn1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000184059992 1430836145 /nfs/dbraw/zinc/83/61/45/1430836145.db2.gz ATVBACQXKFFADI-HXUWFJFHSA-N -1 3 392.459 3.499 20 0 GGADHM CO[C@@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)(C)C ZINC000184102973 1430841769 /nfs/dbraw/zinc/84/17/69/1430841769.db2.gz GGECAFIKEZNNIY-PMACEKPBSA-N -1 3 398.503 3.431 20 0 GGADHM CN(Cc1nccs1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184106760 1430841995 /nfs/dbraw/zinc/84/19/95/1430841995.db2.gz YXWDDMNIEKIGDV-SFHVURJKSA-N -1 3 395.484 3.369 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC4(CC4)C3)cs2)c1 ZINC000184113315 1430842820 /nfs/dbraw/zinc/84/28/20/1430842820.db2.gz RCSKGCVEWQCWNP-UHFFFAOYSA-N -1 3 385.489 3.355 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccncc2F)CC1 ZINC000184144788 1430847037 /nfs/dbraw/zinc/84/70/37/1430847037.db2.gz JPYLKYLIJGURGE-UHFFFAOYSA-N -1 3 392.818 3.462 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCCS1 ZINC000184176430 1430851168 /nfs/dbraw/zinc/85/11/68/1430851168.db2.gz GNIFIJWYZWEHMX-OALUTQOASA-N -1 3 384.501 3.265 20 0 GGADHM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000184190712 1430854017 /nfs/dbraw/zinc/85/40/17/1430854017.db2.gz RFQKHIHAHBDBNU-FQEVSTJZSA-N -1 3 390.487 3.315 20 0 GGADHM COC(=O)c1cccc2[nH]c([N-]S(=O)(=O)C=Cc3cccc(Cl)c3)nc21 ZINC000184213845 1430857276 /nfs/dbraw/zinc/85/72/76/1430857276.db2.gz NMHNCKKUMSMIRN-CMDGGOBGSA-N -1 3 391.836 3.416 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1ccc(F)c(C)c1 ZINC000184254655 1430862979 /nfs/dbraw/zinc/86/29/79/1430862979.db2.gz OHJSIUJOEWPRKG-FVNWOWOISA-N -1 3 381.400 3.078 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000184284147 1430867691 /nfs/dbraw/zinc/86/76/91/1430867691.db2.gz KFJNGXDPMXDAEA-OAHLLOKOSA-N -1 3 396.353 3.120 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000184284131 1430867732 /nfs/dbraw/zinc/86/77/32/1430867732.db2.gz KFJNGXDPMXDAEA-HNNXBMFYSA-N -1 3 396.353 3.120 20 0 GGADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000184284635 1430867943 /nfs/dbraw/zinc/86/79/43/1430867943.db2.gz PPJURXYLAYEUEO-HNNXBMFYSA-N -1 3 380.354 3.420 20 0 GGADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000184284651 1430867956 /nfs/dbraw/zinc/86/79/56/1430867956.db2.gz PPJURXYLAYEUEO-OAHLLOKOSA-N -1 3 380.354 3.420 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000184287111 1430868484 /nfs/dbraw/zinc/86/84/84/1430868484.db2.gz BNNLJQNMGGLQNX-HNNXBMFYSA-N -1 3 396.353 3.120 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2c(C)oc3ccccc32)c1F ZINC000184328536 1430873669 /nfs/dbraw/zinc/87/36/69/1430873669.db2.gz FUCMVFCTPGJPIG-UHFFFAOYSA-N -1 3 395.383 3.285 20 0 GGADHM CC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@H]1CCCO1 ZINC000184352320 1430876776 /nfs/dbraw/zinc/87/67/76/1430876776.db2.gz DIALJBOZIDNXOP-PCCBWWKXSA-N -1 3 396.487 3.327 20 0 GGADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@H]1CCSC1 ZINC000184357917 1430877754 /nfs/dbraw/zinc/87/77/54/1430877754.db2.gz ITANUSQHKCFRRU-PKOBYXMFSA-N -1 3 384.501 3.217 20 0 GGADHM C[C@@H]1CN(CC2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000184363216 1430878564 /nfs/dbraw/zinc/87/85/64/1430878564.db2.gz BRNGSRZNEHUVKC-BETUJISGSA-N -1 3 384.879 3.146 20 0 GGADHM O=C([N-]c1nc(Cc2ccccc2Br)cs1)c1cccc[n+]1[O-] ZINC000184489208 1430893858 /nfs/dbraw/zinc/89/38/58/1430893858.db2.gz ZQPIRPQPRIOKHL-UHFFFAOYSA-N -1 3 390.262 3.382 20 0 GGADHM O=C1[N-]C(=O)C(=CNCC2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000184536117 1430900002 /nfs/dbraw/zinc/90/00/02/1430900002.db2.gz NRRZFHHQJOGPDT-XSFVSMFZSA-N -1 3 376.456 3.274 20 0 GGADHM COc1ccccc1[C@H](CN/C=C1/C(=O)[N-]C(=O)c2ccccc21)OC(C)C ZINC000184536423 1430900057 /nfs/dbraw/zinc/90/00/57/1430900057.db2.gz OCSHGKCSNLAWKT-YWFITGJYSA-N -1 3 380.444 3.062 20 0 GGADHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000184640309 1430927442 /nfs/dbraw/zinc/92/74/42/1430927442.db2.gz UXFGDPBIFJTNFJ-OAHLLOKOSA-N -1 3 392.415 3.173 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184686644 1430942397 /nfs/dbraw/zinc/94/23/97/1430942397.db2.gz RYZOXAXVTFQLBI-WDEREUQCSA-N -1 3 384.379 3.218 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184740066 1430960269 /nfs/dbraw/zinc/96/02/69/1430960269.db2.gz BITOAYRPKCRVHP-QWRGUYRKSA-N -1 3 379.363 3.058 20 0 GGADHM CCCCn1cc(C(=O)[N-]NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)n1 ZINC000184744254 1430963326 /nfs/dbraw/zinc/96/33/26/1430963326.db2.gz GQBGMHYYBGRWQT-MRXNPFEDSA-N -1 3 394.475 3.373 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cccc(Br)c2C)c([O-])c1 ZINC000184785125 1430977223 /nfs/dbraw/zinc/97/72/23/1430977223.db2.gz SRJMIJXMBQJSNI-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM CC(C)(C)OC(=O)N[N-]C(=O)c1cc(Br)ccc1Br ZINC000184851058 1431002747 /nfs/dbraw/zinc/00/27/47/1431002747.db2.gz KELYEZYILWKBNS-UHFFFAOYSA-N -1 3 394.063 3.381 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cc(F)c(Br)cc2C)c([O-])c1 ZINC000184853557 1431003997 /nfs/dbraw/zinc/00/39/97/1431003997.db2.gz SCDIXFMMANOPLQ-UHFFFAOYSA-N -1 3 396.216 3.377 20 0 GGADHM CCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000184859289 1431005187 /nfs/dbraw/zinc/00/51/87/1431005187.db2.gz JEPICXKAWNIHCH-UHFFFAOYSA-N -1 3 384.749 3.477 20 0 GGADHM CCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000184859289 1431005190 /nfs/dbraw/zinc/00/51/90/1431005190.db2.gz JEPICXKAWNIHCH-UHFFFAOYSA-N -1 3 384.749 3.477 20 0 GGADHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000184901989 1431017502 /nfs/dbraw/zinc/01/75/02/1431017502.db2.gz RIPAIWKRGAYWEQ-LLVKDONJSA-N -1 3 383.330 3.116 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCCCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000184937973 1431026449 /nfs/dbraw/zinc/02/64/49/1431026449.db2.gz GYXCUOFVQKPZEB-LJQANCHMSA-N -1 3 383.492 3.303 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000184959661 1431031120 /nfs/dbraw/zinc/03/11/20/1431031120.db2.gz NUKDTSUCGAWDJC-BZUAXINKSA-N -1 3 396.553 3.153 20 0 GGADHM COc1ccc(/C=C/C(=O)NCc2ccc([O-])c(Br)c2)cc1O ZINC000185090729 1431058614 /nfs/dbraw/zinc/05/86/14/1431058614.db2.gz CGXIVSKUPYYQFU-QPJJXVBHSA-N -1 3 378.222 3.199 20 0 GGADHM O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000185259032 1431095529 /nfs/dbraw/zinc/09/55/29/1431095529.db2.gz LDBTXGSLHPKRHQ-INIZCTEOSA-N -1 3 380.423 3.427 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2c1cccc2C(F)(F)F ZINC000185381635 1431131075 /nfs/dbraw/zinc/13/10/75/1431131075.db2.gz BJDDNVDHDCOFMZ-UHFFFAOYSA-N -1 3 375.306 3.184 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN([C@@H](C)c4ccsc4)CC3)nc2)n1 ZINC000185485693 1431155494 /nfs/dbraw/zinc/15/54/94/1431155494.db2.gz RDOWNADRUDBEDE-HNNXBMFYSA-N -1 3 395.532 3.339 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)c(C)o1 ZINC000185486174 1431155648 /nfs/dbraw/zinc/15/56/48/1431155648.db2.gz XCLZPZFQZVCBON-HNNXBMFYSA-N -1 3 390.505 3.126 20 0 GGADHM Cc1oc2ccccc2c1CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000185595344 1431179826 /nfs/dbraw/zinc/17/98/26/1431179826.db2.gz CBABOVJAGJLPTA-UHFFFAOYSA-N -1 3 393.443 3.114 20 0 GGADHM O=C1CCCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000185627364 1431188151 /nfs/dbraw/zinc/18/81/51/1431188151.db2.gz JZFRPIZYELEXTQ-UHFFFAOYSA-N -1 3 398.484 3.015 20 0 GGADHM COC(=O)[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1ccc(F)c(C)c1 ZINC000185756103 1431225920 /nfs/dbraw/zinc/22/59/20/1431225920.db2.gz KEIJUVIYPIEBHW-LJQANCHMSA-N -1 3 385.391 3.258 20 0 GGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000185764651 1431228304 /nfs/dbraw/zinc/22/83/04/1431228304.db2.gz IVUBRPJLXGLQIA-QGZVFWFLSA-N -1 3 385.470 3.493 20 0 GGADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)c(C)c1O ZINC000185773852 1431231781 /nfs/dbraw/zinc/23/17/81/1431231781.db2.gz GSPCXZBZIAMMMS-UHFFFAOYSA-N -1 3 392.452 3.150 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2c(F)cccc2N2CCCC2)c([O-])c1 ZINC000185777517 1431232756 /nfs/dbraw/zinc/23/27/56/1431232756.db2.gz ITGMLNGOQKUKDZ-UHFFFAOYSA-N -1 3 385.439 3.199 20 0 GGADHM CC[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000185796218 1431238372 /nfs/dbraw/zinc/23/83/72/1431238372.db2.gz HXCSPHULYLKVGH-OAHLLOKOSA-N -1 3 397.500 3.417 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000185900613 1431270536 /nfs/dbraw/zinc/27/05/36/1431270536.db2.gz ABBUQGQWJUBDGH-AAWPKVBNSA-N -1 3 385.826 3.487 20 0 GGADHM CC(C)(O)c1ccc(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000185953910 1431293732 /nfs/dbraw/zinc/29/37/32/1431293732.db2.gz DSQFJMPABYGGNC-UHFFFAOYSA-N -1 3 396.274 3.365 20 0 GGADHM CSCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000186090722 1431327824 /nfs/dbraw/zinc/32/78/24/1431327824.db2.gz JKPQSQMKTNWYGY-UHFFFAOYSA-N -1 3 394.493 3.382 20 0 GGADHM Cc1cc2occ(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2cc1C ZINC000186102110 1431330785 /nfs/dbraw/zinc/33/07/85/1431330785.db2.gz ADWOJJPSWIWFPR-UHFFFAOYSA-N -1 3 378.428 3.353 20 0 GGADHM COC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000186152225 1431342862 /nfs/dbraw/zinc/34/28/62/1431342862.db2.gz OOUNFIKWCIIUOK-SNVBAGLBSA-N -1 3 395.308 3.139 20 0 GGADHM COC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000186156253 1431343375 /nfs/dbraw/zinc/34/33/75/1431343375.db2.gz PERSGWWRVASLSG-JTQLQIEISA-N -1 3 395.308 3.139 20 0 GGADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000186203614 1431351853 /nfs/dbraw/zinc/35/18/53/1431351853.db2.gz WQTUKDJGOXVFTG-FZMZJTMJSA-N -1 3 390.390 3.496 20 0 GGADHM CC(C)(C)n1cc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)cn1 ZINC000186247515 1431362057 /nfs/dbraw/zinc/36/20/57/1431362057.db2.gz HVHQYJZMHMXJRK-UHFFFAOYSA-N -1 3 398.236 3.006 20 0 GGADHM CCOC(=O)c1nn(C)cc1CN(CC)Cc1cc(Br)ccc1[O-] ZINC000186261773 1431365185 /nfs/dbraw/zinc/36/51/85/1431365185.db2.gz STURUQHBIFUTBC-UHFFFAOYSA-N -1 3 396.285 3.087 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccsc1)c1cc(Br)ccc1Cl ZINC000186269338 1431367210 /nfs/dbraw/zinc/36/72/10/1431367210.db2.gz BDNXJVZXKDDBSF-NSHDSACASA-N -1 3 396.715 3.176 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)F)c3cccnc23)c(=O)[n-]1 ZINC000186394770 1431399722 /nfs/dbraw/zinc/39/97/22/1431399722.db2.gz OVSYSBLNXVMUJK-UHFFFAOYSA-N -1 3 388.374 3.108 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)Nc2ccc(C)cc2)c1 ZINC000186394830 1431399759 /nfs/dbraw/zinc/39/97/59/1431399759.db2.gz CXUGZKHSPDWGES-UHFFFAOYSA-N -1 3 378.226 3.233 20 0 GGADHM CCOc1cc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc(Cl)c1[O-] ZINC000186423148 1431413651 /nfs/dbraw/zinc/41/36/51/1431413651.db2.gz MYJIVGDAQDXOKZ-QGZVFWFLSA-N -1 3 392.883 3.486 20 0 GGADHM N#Cc1cc(F)ccc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000186431947 1431417145 /nfs/dbraw/zinc/41/71/45/1431417145.db2.gz QLQOPHMNBGTLKE-UHFFFAOYSA-N -1 3 395.163 3.065 20 0 GGADHM Cc1cc(Br)c(F)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000186506865 1431440248 /nfs/dbraw/zinc/44/02/48/1431440248.db2.gz VEDKNIPOBJAWDG-UHFFFAOYSA-N -1 3 376.185 3.385 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)c(C)o1 ZINC000186617606 1431470836 /nfs/dbraw/zinc/47/08/36/1431470836.db2.gz PQARRWROBGRYRT-UHFFFAOYSA-N -1 3 375.200 3.368 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)c2ccc(F)cc2)c(F)cc1F ZINC000186510832 1431442291 /nfs/dbraw/zinc/44/22/91/1431442291.db2.gz RAUQGTIKLHGOIR-SFHVURJKSA-N -1 3 395.406 3.214 20 0 GGADHM COc1ccccc1[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)OC(C)C ZINC000186524575 1431445645 /nfs/dbraw/zinc/44/56/45/1431445645.db2.gz CIXSOMBMZIJJMA-HXUWFJFHSA-N -1 3 380.444 3.433 20 0 GGADHM O=C(Cc1ccc2c(c1)OCCO2)[N-]OCc1ccc(F)cc1Br ZINC000186643702 1431478987 /nfs/dbraw/zinc/47/89/87/1431478987.db2.gz UCQUWMOYESVHCG-UHFFFAOYSA-N -1 3 396.212 3.150 20 0 GGADHM O=C(Cc1c[nH]c2ncccc12)[N-]OCc1ccc(F)cc1Br ZINC000186652667 1431481143 /nfs/dbraw/zinc/48/11/43/1431481143.db2.gz BNSAQHPCQJKFOM-UHFFFAOYSA-N -1 3 378.201 3.255 20 0 GGADHM CCOc1cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-] ZINC000186698010 1431494711 /nfs/dbraw/zinc/49/47/11/1431494711.db2.gz WOLDWWVJUAYOLJ-IIAWOOMASA-N -1 3 396.915 3.158 20 0 GGADHM CCOc1cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186697972 1431494989 /nfs/dbraw/zinc/49/49/89/1431494989.db2.gz WOLDWWVJUAYOLJ-IJEWVQPXSA-N -1 3 396.915 3.158 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cc(F)cc(Cl)c2)o1 ZINC000186760711 1431509956 /nfs/dbraw/zinc/50/99/56/1431509956.db2.gz IOLDAVCBYMTSNZ-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM Cn1cc(CCNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c2ccc(Cl)cc21 ZINC000186835490 1431533182 /nfs/dbraw/zinc/53/31/82/1431533182.db2.gz JTTXCFHVGXRBIU-UHFFFAOYSA-N -1 3 396.834 3.080 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)[n-]c1-c1ccccc1 ZINC000186844054 1431536568 /nfs/dbraw/zinc/53/65/68/1431536568.db2.gz OHENBNJEODSKHS-OFQRWUPVSA-N -1 3 389.521 3.052 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)[n-]c1-c1ccccc1 ZINC000186842681 1431536894 /nfs/dbraw/zinc/53/68/94/1431536894.db2.gz JRHUNDMYBMFVAD-UHFFFAOYSA-N -1 3 395.484 3.138 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N2CCCc3ccccc32)nc1-c1ccccc1 ZINC000186842681 1431536901 /nfs/dbraw/zinc/53/69/01/1431536901.db2.gz JRHUNDMYBMFVAD-UHFFFAOYSA-N -1 3 395.484 3.138 20 0 GGADHM CCN(C(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1)c1ccccc1 ZINC000186845665 1431537433 /nfs/dbraw/zinc/53/74/33/1431537433.db2.gz FEVIFNHVYONMKM-UHFFFAOYSA-N -1 3 383.473 3.212 20 0 GGADHM CCN(C(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1)c1ccccc1 ZINC000186845665 1431537441 /nfs/dbraw/zinc/53/74/41/1431537441.db2.gz FEVIFNHVYONMKM-UHFFFAOYSA-N -1 3 383.473 3.212 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(C)c(C)c2)[n-]c1-c1ccccc1 ZINC000186845138 1431537485 /nfs/dbraw/zinc/53/74/85/1431537485.db2.gz AVQFIMNVXDZOGJ-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(C)c(C)c2)nc1-c1ccccc1 ZINC000186845138 1431537490 /nfs/dbraw/zinc/53/74/90/1431537490.db2.gz AVQFIMNVXDZOGJ-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C)[n-]c1-c1ccccc1 ZINC000186847699 1431538795 /nfs/dbraw/zinc/53/87/95/1431538795.db2.gz LCMQHLOVDAIQKP-HNNXBMFYSA-N -1 3 383.473 3.494 20 0 GGADHM COc1ccc(NC(=O)CCS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cc1 ZINC000186849838 1431539423 /nfs/dbraw/zinc/53/94/23/1431539423.db2.gz KLTQQUFCYAOGGD-UHFFFAOYSA-N -1 3 399.472 3.196 20 0 GGADHM COc1ccc(NC(=O)CCS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1 ZINC000186849838 1431539433 /nfs/dbraw/zinc/53/94/33/1431539433.db2.gz KLTQQUFCYAOGGD-UHFFFAOYSA-N -1 3 399.472 3.196 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)[n-]c1-c1ccccc1 ZINC000186853539 1431540877 /nfs/dbraw/zinc/54/08/77/1431540877.db2.gz BTCNOESYYPLLLA-LXZKKBNFSA-N -1 3 389.521 3.242 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccsc3)no2)[n-]c1-c1ccccc1 ZINC000186853059 1431541236 /nfs/dbraw/zinc/54/12/36/1431541236.db2.gz LGGTVQFVGSSMKA-UHFFFAOYSA-N -1 3 386.458 3.471 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccsc3)no2)nc1-c1ccccc1 ZINC000186853059 1431541248 /nfs/dbraw/zinc/54/12/48/1431541248.db2.gz LGGTVQFVGSSMKA-UHFFFAOYSA-N -1 3 386.458 3.471 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)[n-]c1-c1ccccc1 ZINC000186854059 1431541562 /nfs/dbraw/zinc/54/15/62/1431541562.db2.gz BHJDAKPHRPYXQA-CQSZACIVSA-N -1 3 383.473 3.036 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)nc1-c1ccccc1 ZINC000186854059 1431541567 /nfs/dbraw/zinc/54/15/67/1431541567.db2.gz BHJDAKPHRPYXQA-CQSZACIVSA-N -1 3 383.473 3.036 20 0 GGADHM CCOc1cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186854362 1431541641 /nfs/dbraw/zinc/54/16/41/1431541641.db2.gz UCQCORVXBNIQNC-KBPBESRZSA-N -1 3 384.904 3.064 20 0 GGADHM CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186856175 1431542199 /nfs/dbraw/zinc/54/21/99/1431542199.db2.gz SVGPRIYXBRZONM-DOTOQJQBSA-N -1 3 389.521 3.338 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)[n-]c1-c1ccccc1 ZINC000186856047 1431542285 /nfs/dbraw/zinc/54/22/85/1431542285.db2.gz XNZAEFJLTRIPMI-INIZCTEOSA-N -1 3 397.500 3.206 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)cc1Cl ZINC000186962389 1431577950 /nfs/dbraw/zinc/57/79/50/1431577950.db2.gz SWGDLQQDAOILIF-UHFFFAOYSA-N -1 3 392.864 3.265 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(CN(C)C)c1 ZINC000186983908 1431583016 /nfs/dbraw/zinc/58/30/16/1431583016.db2.gz CIXJFQMFOHEHEZ-UHFFFAOYSA-N -1 3 382.489 3.314 20 0 GGADHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000187099779 1431615229 /nfs/dbraw/zinc/61/52/29/1431615229.db2.gz JYUZZTCLYSNYSW-PXAZEXFGSA-N -1 3 383.835 3.179 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c(C)c1 ZINC000187119441 1431621449 /nfs/dbraw/zinc/62/14/49/1431621449.db2.gz DNQRWNWXXODOAA-UHFFFAOYSA-N -1 3 392.546 3.353 20 0 GGADHM O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187229729 1431656770 /nfs/dbraw/zinc/65/67/70/1431656770.db2.gz ZYAPLQLWKUTLDE-UHFFFAOYSA-N -1 3 389.390 3.279 20 0 GGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3cccc(Cl)c3)nn2)cc1 ZINC000187243997 1431662747 /nfs/dbraw/zinc/66/27/47/1431662747.db2.gz VRUYLEFYFDITCH-QGZVFWFLSA-N -1 3 393.834 3.444 20 0 GGADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cn(-c3cccc(Cl)c3)nn2)c1 ZINC000187243557 1431663021 /nfs/dbraw/zinc/66/30/21/1431663021.db2.gz HKBVWVOARULLON-INIZCTEOSA-N -1 3 379.807 3.190 20 0 GGADHM COC(=O)c1cnc(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)[n-]1 ZINC000187591213 1431774549 /nfs/dbraw/zinc/77/45/49/1431774549.db2.gz CMJPBBHJNRHAQE-UHFFFAOYSA-N -1 3 398.469 3.454 20 0 GGADHM COC(=O)c1cnc(SCCCc2nc(-c3ccc(C)c(F)c3)no2)[n-]1 ZINC000187593873 1431775074 /nfs/dbraw/zinc/77/50/74/1431775074.db2.gz PSSCKXMXJAKASC-UHFFFAOYSA-N -1 3 376.413 3.419 20 0 GGADHM O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cccc2n[n-]nc21 ZINC000187628621 1431782496 /nfs/dbraw/zinc/78/24/96/1431782496.db2.gz LSEOLXAHJGJPQZ-UHFFFAOYSA-N -1 3 383.411 3.413 20 0 GGADHM O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cccc2n[n-]nc21 ZINC000187628535 1431782627 /nfs/dbraw/zinc/78/26/27/1431782627.db2.gz FYLKUBURDOFVJH-UHFFFAOYSA-N -1 3 383.411 3.413 20 0 GGADHM CCN(Cc1cccc(NC(=O)c2cccc3n[n-]nc32)c1)C(=O)C(F)(F)F ZINC000187731905 1431805373 /nfs/dbraw/zinc/80/53/73/1431805373.db2.gz IVJHCFBVQCTILG-UHFFFAOYSA-N -1 3 391.353 3.121 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(Cl)cc3F)[n-]c(=O)c21 ZINC000187832357 1431817829 /nfs/dbraw/zinc/81/78/29/1431817829.db2.gz NVGZZZVBZBPXOC-UHFFFAOYSA-N -1 3 393.827 3.498 20 0 GGADHM CN(Cc1cscn1)Cc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000187874974 1431822712 /nfs/dbraw/zinc/82/27/12/1431822712.db2.gz CCAUFBKEODLXJT-UHFFFAOYSA-N -1 3 378.461 3.299 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nc(Br)ccc3C)nc21 ZINC000188024232 1431837324 /nfs/dbraw/zinc/83/73/24/1431837324.db2.gz AQHRXQRNNXCGIS-UHFFFAOYSA-N -1 3 389.209 3.068 20 0 GGADHM C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1noc(Cc2ccccc2)n1 ZINC000188088633 1431845092 /nfs/dbraw/zinc/84/50/92/1431845092.db2.gz VUMHEJWVCKPJSP-AWEZNQCLSA-N -1 3 397.456 3.074 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1noc(Cc2ccccc2)n1 ZINC000188088662 1431845117 /nfs/dbraw/zinc/84/51/17/1431845117.db2.gz VUMHEJWVCKPJSP-CQSZACIVSA-N -1 3 397.456 3.074 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1noc(-c2ccccc2)n1 ZINC000188105756 1431847314 /nfs/dbraw/zinc/84/73/14/1431847314.db2.gz VQRFNQWKRVIJKL-CYBMUJFWSA-N -1 3 383.429 3.151 20 0 GGADHM O=c1[n-]c(SCc2ccc([N+](=O)[O-])c(F)c2)nc2c1cnn2-c1ccccc1 ZINC000188192475 1431858761 /nfs/dbraw/zinc/85/87/61/1431858761.db2.gz LUOOVQNNTKFMTG-UHFFFAOYSA-N -1 3 397.391 3.448 20 0 GGADHM CCOC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000188218873 1431862428 /nfs/dbraw/zinc/86/24/28/1431862428.db2.gz ZZYWAAGPISHUJK-NSHDSACASA-N -1 3 392.880 3.014 20 0 GGADHM O=C(Cc1ccc(F)cc1Br)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000188252546 1431865890 /nfs/dbraw/zinc/86/58/90/1431865890.db2.gz DLSDINWBIQJTMO-UHFFFAOYSA-N -1 3 393.138 3.083 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000188366065 1431877511 /nfs/dbraw/zinc/87/75/11/1431877511.db2.gz QKOOMVGWMNYVEK-MJSCBBHESA-N -1 3 397.862 3.356 20 0 GGADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188504887 1431889945 /nfs/dbraw/zinc/88/99/45/1431889945.db2.gz XXHZGSKNPLZJDF-UHFFFAOYSA-N -1 3 387.365 3.480 20 0 GGADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188504887 1431889946 /nfs/dbraw/zinc/88/99/46/1431889946.db2.gz XXHZGSKNPLZJDF-UHFFFAOYSA-N -1 3 387.365 3.480 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)ccc1F ZINC000188573568 1431896383 /nfs/dbraw/zinc/89/63/83/1431896383.db2.gz HKDFFOMDRGIUKS-UHFFFAOYSA-N -1 3 379.388 3.268 20 0 GGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000188597754 1431898783 /nfs/dbraw/zinc/89/87/83/1431898783.db2.gz JJNMMOHHPNXROF-JLTOFOAXSA-N -1 3 380.448 3.013 20 0 GGADHM O=S(=O)([N-][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccco1 ZINC000188609026 1431899857 /nfs/dbraw/zinc/89/98/57/1431899857.db2.gz QUIFPPMXFLWVDS-QGZVFWFLSA-N -1 3 385.420 3.488 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000188631983 1431910866 /nfs/dbraw/zinc/91/08/66/1431910866.db2.gz CBILFKOGANZMKK-MRXNPFEDSA-N -1 3 394.393 3.283 20 0 GGADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000188635280 1431912286 /nfs/dbraw/zinc/91/22/86/1431912286.db2.gz IUDYKFRLLAUBFU-QMMMGPOBSA-N -1 3 394.275 3.425 20 0 GGADHM CC1(C)CN([C@@H](C[N-]S(=O)(=O)c2ccco2)c2ccc(Cl)cc2)CCO1 ZINC000188671046 1431927445 /nfs/dbraw/zinc/92/74/45/1431927445.db2.gz VHSBHDJGZVSISP-INIZCTEOSA-N -1 3 398.912 3.063 20 0 GGADHM N#Cc1c(F)cccc1C(=O)N(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1 ZINC000188773736 1431968279 /nfs/dbraw/zinc/96/82/79/1431968279.db2.gz GITIDIARHIIKCC-UHFFFAOYSA-N -1 3 396.399 3.439 20 0 GGADHM C[C@@](O)(CC[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000188857510 1431999843 /nfs/dbraw/zinc/99/98/43/1431999843.db2.gz UGYRZYAZPSBXLO-CQSZACIVSA-N -1 3 390.324 3.087 20 0 GGADHM COC(=O)[C@@](C)(NC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)c(Cl)c1 ZINC000188867145 1432001321 /nfs/dbraw/zinc/00/13/21/1432001321.db2.gz YPJUXDCFETUXPG-KRWDZBQOSA-N -1 3 393.230 3.083 20 0 GGADHM CC(=O)Nc1sc(NC(=O)c2cccc3n[n-]nc32)nc1-c1ccccc1 ZINC000188868615 1432001550 /nfs/dbraw/zinc/00/15/50/1432001550.db2.gz RRBDXHKBNGIUAZ-UHFFFAOYSA-N -1 3 378.417 3.292 20 0 GGADHM CCc1ccc(C(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c([O-])c1 ZINC000188890435 1432003915 /nfs/dbraw/zinc/00/39/15/1432003915.db2.gz WXQYJJIPSFKDGH-HXUWFJFHSA-N -1 3 395.459 3.225 20 0 GGADHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCc1ccc(F)cc1Br ZINC000188908905 1432006709 /nfs/dbraw/zinc/00/67/09/1432006709.db2.gz RNYKHUSGAMWLBS-UHFFFAOYSA-N -1 3 383.173 3.287 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(F)c1F ZINC000188930755 1432011112 /nfs/dbraw/zinc/01/11/12/1432011112.db2.gz GJLRHDKXANXAOR-UHFFFAOYSA-N -1 3 395.309 3.002 20 0 GGADHM O=C([N-][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(F)(F)c1ccccc1 ZINC000188978486 1432020786 /nfs/dbraw/zinc/02/07/86/1432020786.db2.gz XJSSABUIWMSPQO-KRWDZBQOSA-N -1 3 394.368 3.364 20 0 GGADHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Br)o1 ZINC000189061333 1432037443 /nfs/dbraw/zinc/03/74/43/1432037443.db2.gz ODFUHETZIQGFKL-UHFFFAOYSA-N -1 3 395.618 3.082 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cc(Br)c(F)cc1F ZINC000189070557 1432039204 /nfs/dbraw/zinc/03/92/04/1432039204.db2.gz NRBXLHVEOMBBLA-UHFFFAOYSA-N -1 3 378.564 3.319 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189075595 1432039907 /nfs/dbraw/zinc/03/99/07/1432039907.db2.gz KFLVDJVGXWWIBE-HOTGVXAUSA-N -1 3 391.464 3.302 20 0 GGADHM CCOC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000189218682 1432065199 /nfs/dbraw/zinc/06/51/99/1432065199.db2.gz XSHVVTISMOXKIE-CQSZACIVSA-N -1 3 399.495 3.063 20 0 GGADHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)c1[N+](=O)[O-] ZINC000189226273 1432066920 /nfs/dbraw/zinc/06/69/20/1432066920.db2.gz CDNBCGPTMMBPIA-UHFFFAOYSA-N -1 3 387.320 3.199 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000189242795 1432070090 /nfs/dbraw/zinc/07/00/90/1432070090.db2.gz JCPPVSLIUJTGEF-UHFFFAOYSA-N -1 3 382.367 3.173 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1CO ZINC000189269395 1432075414 /nfs/dbraw/zinc/07/54/14/1432075414.db2.gz MJWNLGBRESRMLJ-UHFFFAOYSA-N -1 3 389.395 3.483 20 0 GGADHM C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000189364130 1432093779 /nfs/dbraw/zinc/09/37/79/1432093779.db2.gz VRDWHNOAKIKPHG-SWLSCSKDSA-N -1 3 380.872 3.038 20 0 GGADHM C[C@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000189364109 1432093929 /nfs/dbraw/zinc/09/39/29/1432093929.db2.gz VRDWHNOAKIKPHG-IUODEOHRSA-N -1 3 380.872 3.038 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)c(C)c1 ZINC000189385616 1432096554 /nfs/dbraw/zinc/09/65/54/1432096554.db2.gz AHSVXKCGTNOTNG-UHFFFAOYSA-N -1 3 382.489 3.233 20 0 GGADHM Cc1ccc(-c2ncccc2NC(=O)NCCNC(=O)c2ccc([O-])cc2)s1 ZINC000189469950 1432123296 /nfs/dbraw/zinc/12/32/96/1432123296.db2.gz HNPDEURMFFRHPP-UHFFFAOYSA-N -1 3 396.472 3.376 20 0 GGADHM COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)cc1 ZINC000189514599 1432144160 /nfs/dbraw/zinc/14/41/60/1432144160.db2.gz BWCQEKSNRFNKKE-UHFFFAOYSA-N -1 3 387.399 3.471 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@](C)(Cc3ccccc3)[C@@H](C)O)nc2)n1 ZINC000189648385 1432189615 /nfs/dbraw/zinc/18/96/15/1432189615.db2.gz RSFFMLXUMAAMAW-WAIKUNEKSA-N -1 3 392.503 3.436 20 0 GGADHM CCc1ccc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c([O-])c1 ZINC000189671351 1432198056 /nfs/dbraw/zinc/19/80/56/1432198056.db2.gz NIQVJYCKDBLYAT-UHFFFAOYSA-N -1 3 388.427 3.065 20 0 GGADHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000189695427 1432207113 /nfs/dbraw/zinc/20/71/13/1432207113.db2.gz DXANPPYESJXQDA-UHFFFAOYSA-N -1 3 396.274 3.067 20 0 GGADHM Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000189710443 1432211019 /nfs/dbraw/zinc/21/10/19/1432211019.db2.gz HIRCKDKPAMIOLF-UHFFFAOYSA-N -1 3 385.427 3.449 20 0 GGADHM CCOC1CC(CC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)C1 ZINC000189850681 1432253337 /nfs/dbraw/zinc/25/33/37/1432253337.db2.gz BAUATEMCKXDWCP-UHFFFAOYSA-N -1 3 389.677 3.069 20 0 GGADHM C[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000189927381 1432276997 /nfs/dbraw/zinc/27/69/97/1432276997.db2.gz ADKGIXZEGVEUFK-JTQLQIEISA-N -1 3 376.334 3.123 20 0 GGADHM CCCCOc1ccc(C(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)c([O-])c1 ZINC000190026817 1432307065 /nfs/dbraw/zinc/30/70/65/1432307065.db2.gz NUDKGECSBNVHLE-UHFFFAOYSA-N -1 3 395.459 3.470 20 0 GGADHM CCCCNC(=O)C1CCN(C(=O)c2ccc(OCCCC)cc2[O-])CC1 ZINC000190113261 1432322072 /nfs/dbraw/zinc/32/20/72/1432322072.db2.gz HUKYJRFKPKISHU-UHFFFAOYSA-N -1 3 376.497 3.340 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC000190113497 1432322125 /nfs/dbraw/zinc/32/21/25/1432322125.db2.gz LNLSYDDHQJXARP-UHFFFAOYSA-N -1 3 398.890 3.353 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)cc1C ZINC000190148725 1432328497 /nfs/dbraw/zinc/32/84/97/1432328497.db2.gz XNLSXVLYRJFSAM-UHFFFAOYSA-N -1 3 388.489 3.253 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCOCC(F)F)cc2)cc1 ZINC000190192571 1432337832 /nfs/dbraw/zinc/33/78/32/1432337832.db2.gz HTTUOQPSWIALAJ-UHFFFAOYSA-N -1 3 398.431 3.406 20 0 GGADHM O=S(=O)([N-]c1ccc(-c2nnc3n2CCC3)cc1)C1=Cc2ccccc2OC1 ZINC000190221809 1432343835 /nfs/dbraw/zinc/34/38/35/1432343835.db2.gz WOFHCQRPJHBCGM-UHFFFAOYSA-N -1 3 394.456 3.067 20 0 GGADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000190229433 1432345295 /nfs/dbraw/zinc/34/52/95/1432345295.db2.gz DFFZFEVCHSOVAI-UHFFFAOYSA-N -1 3 382.445 3.140 20 0 GGADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000190378514 1432370212 /nfs/dbraw/zinc/37/02/12/1432370212.db2.gz TYPXGYCNOURBDQ-UHFFFAOYSA-N -1 3 396.472 3.211 20 0 GGADHM CCCCOc1ccc(C(=O)NCCNC(=O)c2c(F)cccc2F)c([O-])c1 ZINC000190408259 1432375628 /nfs/dbraw/zinc/37/56/28/1432375628.db2.gz UEOUNTQKBGOEQQ-UHFFFAOYSA-N -1 3 392.402 3.009 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCSC[C@H](C)C3)nc(=O)c2c1C ZINC000190448484 1432383945 /nfs/dbraw/zinc/38/39/45/1432383945.db2.gz KAYVCYAUCHLKFS-PWSUYJOCSA-N -1 3 395.550 3.216 20 0 GGADHM CCc1ccc(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c([O-])c1 ZINC000190540516 1432400815 /nfs/dbraw/zinc/40/08/15/1432400815.db2.gz PJDVJANTQDNOTR-UHFFFAOYSA-N -1 3 398.894 3.214 20 0 GGADHM CCOC(=O)C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000190562599 1432407100 /nfs/dbraw/zinc/40/71/00/1432407100.db2.gz OCUXHXPTQKOHTG-UHFFFAOYSA-N -1 3 399.285 3.077 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCCC[C@H]3CC)c2)n1 ZINC000190659872 1432434442 /nfs/dbraw/zinc/43/44/42/1432434442.db2.gz VCDYGOMCSDDTGQ-GOSISDBHSA-N -1 3 396.491 3.119 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(Cn2cncn2)CC1 ZINC000190722853 1432455679 /nfs/dbraw/zinc/45/56/79/1432455679.db2.gz LPMQLPPKLZVLEG-UHFFFAOYSA-N -1 3 376.460 3.127 20 0 GGADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cnc(Cl)c(Cl)c1 ZINC000190721101 1432455759 /nfs/dbraw/zinc/45/57/59/1432455759.db2.gz WFGPSFNOMDIUDL-LBPRGKRZSA-N -1 3 377.224 3.330 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc(=O)oc12 ZINC000190728645 1432458108 /nfs/dbraw/zinc/45/81/08/1432458108.db2.gz OXXKNSCQZLSLQY-OAHLLOKOSA-N -1 3 388.464 3.296 20 0 GGADHM CCc1ccccc1CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000190827626 1432497281 /nfs/dbraw/zinc/49/72/81/1432497281.db2.gz GPIMPQSQCMZEBB-UHFFFAOYSA-N -1 3 376.478 3.200 20 0 GGADHM CCCCOc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)c([O-])c1 ZINC000190835964 1432501192 /nfs/dbraw/zinc/50/11/92/1432501192.db2.gz ZTYCMBDYGARXFR-UHFFFAOYSA-N -1 3 378.513 3.002 20 0 GGADHM CCCCOc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000190903127 1432525157 /nfs/dbraw/zinc/52/51/57/1432525157.db2.gz YJMAIHBDSDZAPO-SFHVURJKSA-N -1 3 396.487 3.350 20 0 GGADHM Cc1cc(F)c(Br)cc1NC(=O)NNC(=O)c1ccccc1[O-] ZINC000190929904 1432531856 /nfs/dbraw/zinc/53/18/56/1432531856.db2.gz LBUMJRLQWJZERK-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3CCC4(CC3)OCCO4)c2)n1 ZINC000191165681 1432580431 /nfs/dbraw/zinc/58/04/31/1432580431.db2.gz WGVOUURGYZOMPC-UHFFFAOYSA-N -1 3 397.475 3.261 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)n1 ZINC000191241612 1432601469 /nfs/dbraw/zinc/60/14/69/1432601469.db2.gz WFXSTCSIFOLLSN-UHFFFAOYSA-N -1 3 395.850 3.496 20 0 GGADHM C[C@@H]1CN(Cc2c([O-])ccc3cc(Br)ccc32)CCS(=O)(=O)C1 ZINC000191364792 1432642709 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384.910 3.315 20 0 GGADHM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000191887094 1432747284 /nfs/dbraw/zinc/74/72/84/1432747284.db2.gz XPIKFAATLPGTFU-UHFFFAOYSA-N -1 3 389.452 3.310 20 0 GGADHM CCCCc1nc(NC(=O)Cn2nc(C)c(Cl)c2C)c(C(=O)OCC)[n-]1 ZINC000191964426 1432769189 /nfs/dbraw/zinc/76/91/89/1432769189.db2.gz IGFAZTHMXNKWSD-UHFFFAOYSA-N -1 3 381.864 3.034 20 0 GGADHM CCCCc1nc(NC(=O)c2cc(C)n(C(C)(C)C)n2)c(C(=O)OCC)[n-]1 ZINC000191964582 1432769596 /nfs/dbraw/zinc/76/95/96/1432769596.db2.gz WAJAQZQTZKKECY-UHFFFAOYSA-N -1 3 375.473 3.441 20 0 GGADHM CCCCc1nc(NC(=O)c2cc(C)nc3onc(C)c32)c(C(=O)OCC)[n-]1 ZINC000191964757 1432769622 /nfs/dbraw/zinc/76/96/22/1432769622.db2.gz PTMBGBOLFJOEKW-UHFFFAOYSA-N -1 3 385.424 3.334 20 0 GGADHM CCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccccc1C ZINC000192139549 1432805307 /nfs/dbraw/zinc/80/53/07/1432805307.db2.gz XCNLQJZEVUZVSP-UHFFFAOYSA-N -1 3 379.464 3.015 20 0 GGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000192197302 1432814768 /nfs/dbraw/zinc/81/47/68/1432814768.db2.gz SVHBVOCKNYOTCS-INIZCTEOSA-N -1 3 381.388 3.435 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccc1F ZINC000192420782 1432842935 /nfs/dbraw/zinc/84/29/35/1432842935.db2.gz VAALXYJKNVMWJK-UHFFFAOYSA-N -1 3 395.214 3.432 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])Nc1cc2c(cc1Br)CCC2 ZINC000192471749 1432848718 /nfs/dbraw/zinc/84/87/18/1432848718.db2.gz ZAPIBTHQTZINLO-UHFFFAOYSA-N -1 3 390.237 3.110 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000192528525 1432855152 /nfs/dbraw/zinc/85/51/52/1432855152.db2.gz YDJLMAAGTBVVJK-GFCCVEGCSA-N -1 3 395.290 3.316 20 0 GGADHM CCOC(=O)c1cc2cc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)ccc2s1 ZINC000192537558 1432856492 /nfs/dbraw/zinc/85/64/92/1432856492.db2.gz PHSSSFMFPXIXRY-UHFFFAOYSA-N -1 3 399.472 3.349 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(F)(F)F)ccc2C)cc1 ZINC000192694271 1432876114 /nfs/dbraw/zinc/87/61/14/1432876114.db2.gz 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C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC000192995648 1432919087 /nfs/dbraw/zinc/91/90/87/1432919087.db2.gz GFAZWNXYDYZMTH-VIFPVBQESA-N -1 3 383.297 3.185 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000193115533 1432938576 /nfs/dbraw/zinc/93/85/76/1432938576.db2.gz RGKILVUPODERLA-GFCCVEGCSA-N -1 3 398.916 3.102 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Cl ZINC000193147634 1432944754 /nfs/dbraw/zinc/94/47/54/1432944754.db2.gz RIGCPKCPFJGOAJ-CQSZACIVSA-N -1 3 387.867 3.274 20 0 GGADHM CCc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000193158804 1432947403 /nfs/dbraw/zinc/94/74/03/1432947403.db2.gz CYVJITOAJJRTHK-MRXNPFEDSA-N -1 3 381.476 3.183 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC2)c(Cl)cc1Cl ZINC000193161706 1432948429 /nfs/dbraw/zinc/94/84/29/1432948429.db2.gz PCKOYJWNSMSTLY-UHFFFAOYSA-N -1 3 393.336 3.458 20 0 GGADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C)cc1 ZINC000193182773 1432952812 /nfs/dbraw/zinc/95/28/12/1432952812.db2.gz HRZXTAMVFXAGOK-IBGZPJMESA-N -1 3 381.476 3.319 20 0 GGADHM C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193255216 1432968387 /nfs/dbraw/zinc/96/83/87/1432968387.db2.gz UOYXVCYECYPSPE-SNVBAGLBSA-N -1 3 396.274 3.477 20 0 GGADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)o1 ZINC000193431423 1432997693 /nfs/dbraw/zinc/99/76/93/1432997693.db2.gz GYKUNTPOIGWDSB-UHFFFAOYSA-N -1 3 398.473 3.471 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3C2)c1 ZINC000193458692 1433002888 /nfs/dbraw/zinc/00/28/88/1433002888.db2.gz RMYVTYZVQSJUSM-UHFFFAOYSA-N -1 3 377.400 3.139 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000193463136 1433003572 /nfs/dbraw/zinc/00/35/72/1433003572.db2.gz WUDGTATWVADWLF-UHFFFAOYSA-N -1 3 383.379 3.352 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)cc(F)c2)c1 ZINC000193475085 1433005229 /nfs/dbraw/zinc/00/52/29/1433005229.db2.gz VSLFUGWIVROFRS-UHFFFAOYSA-N -1 3 387.342 3.149 20 0 GGADHM O=C(C[C@H]1CCCOC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000193536372 1433016123 /nfs/dbraw/zinc/01/61/23/1433016123.db2.gz VPHVPJNKDRIDDX-CYBMUJFWSA-N -1 3 380.872 3.039 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[n-]1 ZINC000193548987 1433018278 /nfs/dbraw/zinc/01/82/78/1433018278.db2.gz HXJXSHBBPYWRAF-QGZVFWFLSA-N -1 3 395.484 3.389 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000193559622 1433019720 /nfs/dbraw/zinc/01/97/20/1433019720.db2.gz YUCVJIJWOJTHJU-UHFFFAOYSA-N -1 3 388.474 3.159 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000193630435 1433031240 /nfs/dbraw/zinc/03/12/40/1433031240.db2.gz WJSDYWNBQDTAEO-UHFFFAOYSA-N -1 3 388.309 3.499 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(CC)CC(CC)CC)c2)n1 ZINC000193729647 1433048693 /nfs/dbraw/zinc/04/86/93/1433048693.db2.gz UQJHNSZPKACGKG-UHFFFAOYSA-N -1 3 398.507 3.223 20 0 GGADHM O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193806980 1433063658 /nfs/dbraw/zinc/06/36/58/1433063658.db2.gz BTKAAOQRJUNLGZ-SFHVURJKSA-N -1 3 399.878 3.201 20 0 GGADHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000193820714 1433066999 /nfs/dbraw/zinc/06/69/99/1433066999.db2.gz TZQDLWUKCIMQSP-UHFFFAOYSA-N -1 3 376.312 3.179 20 0 GGADHM CC1CCN(c2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)CC1 ZINC000193822900 1433067233 /nfs/dbraw/zinc/06/72/33/1433067233.db2.gz FRZGTEVNGDBVOM-UHFFFAOYSA-N -1 3 396.491 3.180 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000193929296 1433086825 /nfs/dbraw/zinc/08/68/25/1433086825.db2.gz UKJRNXVILZPRCC-UHFFFAOYSA-N -1 3 387.311 3.022 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000194080286 1433113687 /nfs/dbraw/zinc/11/36/87/1433113687.db2.gz XKXUKPVCQRROTC-UHFFFAOYSA-N -1 3 380.366 3.075 20 0 GGADHM CC(C)CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CCN(C)CC1 ZINC000194113709 1433120141 /nfs/dbraw/zinc/12/01/41/1433120141.db2.gz IUBDGUFTCIUDQP-UHFFFAOYSA-N -1 3 390.915 3.424 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)cc1C ZINC000194162258 1433129199 /nfs/dbraw/zinc/12/91/99/1433129199.db2.gz DYCCXTCUHIHGGL-UHFFFAOYSA-N -1 3 376.478 3.123 20 0 GGADHM CC(C)Sc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000194260789 1433151063 /nfs/dbraw/zinc/15/10/63/1433151063.db2.gz UVZHIQCQPVRXKA-UHFFFAOYSA-N -1 3 384.501 3.491 20 0 GGADHM Cc1ncc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000194271342 1433153562 /nfs/dbraw/zinc/15/35/62/1433153562.db2.gz JOYSOYGIMDZMMP-UHFFFAOYSA-N -1 3 386.470 3.024 20 0 GGADHM CC(C)[C@@H](CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000194343264 1433164409 /nfs/dbraw/zinc/16/44/09/1433164409.db2.gz KHDPDOTZLLGQLE-HXUWFJFHSA-N -1 3 395.503 3.299 20 0 GGADHM COC(=O)c1cccc2nc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)[nH]c21 ZINC000194648282 1433211095 /nfs/dbraw/zinc/21/10/95/1433211095.db2.gz AHBUDEGNRUHUSN-UHFFFAOYSA-N -1 3 397.815 3.084 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](C)c3cccnc3)nc(=O)c2c1C ZINC000194725658 1433220610 /nfs/dbraw/zinc/22/06/10/1433220610.db2.gz HWIHTTXYHFMVMN-NEPJUHHUSA-N -1 3 386.477 3.277 20 0 GGADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000194728690 1433221224 /nfs/dbraw/zinc/22/12/24/1433221224.db2.gz UFSBMBBCCKQTRY-UHFFFAOYSA-N -1 3 376.478 3.253 20 0 GGADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000194795290 1433234250 /nfs/dbraw/zinc/23/42/50/1433234250.db2.gz CHQSZQDIQHDIHV-UHFFFAOYSA-N -1 3 398.488 3.333 20 0 GGADHM O=C(NC1CCSCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000194909140 1433262511 /nfs/dbraw/zinc/26/25/11/1433262511.db2.gz ZJSFKNPZEZPNNJ-UHFFFAOYSA-N -1 3 394.493 3.252 20 0 GGADHM CC(C)(C)C(=O)N1CCC(CSc2nc(=O)cc([O-])n2C2CCCC2)CC1 ZINC000195015435 1433281038 /nfs/dbraw/zinc/28/10/38/1433281038.db2.gz XITJUJWEYQDQRJ-UHFFFAOYSA-N -1 3 393.553 3.441 20 0 GGADHM Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000195042021 1433284596 /nfs/dbraw/zinc/28/45/96/1433284596.db2.gz CEPPQKAKNGDWJR-UHFFFAOYSA-N -1 3 385.474 3.001 20 0 GGADHM CCc1n[n-]c(S(=O)(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000195053593 1433285880 /nfs/dbraw/zinc/28/58/80/1433285880.db2.gz LQTFVSIXRIVMRM-UHFFFAOYSA-N -1 3 375.425 3.059 20 0 GGADHM CCc1nnc(S(=O)(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)[n-]1 ZINC000195053593 1433285882 /nfs/dbraw/zinc/28/58/82/1433285882.db2.gz LQTFVSIXRIVMRM-UHFFFAOYSA-N -1 3 375.425 3.059 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2cnn(C)c2)cc1 ZINC000195309028 1433317694 /nfs/dbraw/zinc/31/76/94/1433317694.db2.gz KHYZJNZQVJTPSQ-UHFFFAOYSA-N -1 3 398.488 3.019 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1nc(-c2cccnc2)no1 ZINC000195365417 1433322979 /nfs/dbraw/zinc/32/29/79/1433322979.db2.gz DHLDGYZNYOIDJY-OAHLLOKOSA-N -1 3 392.506 3.052 20 0 GGADHM CCOc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)NC)cc2)cc(Cl)c1[O-] ZINC000213694839 1433360301 /nfs/dbraw/zinc/36/03/01/1433360301.db2.gz UGFSUDCMYBZMAE-WTKPLQERSA-N -1 3 395.864 3.249 20 0 GGADHM COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(Cl)c1[O-] ZINC000214174360 1433360741 /nfs/dbraw/zinc/36/07/41/1433360741.db2.gz XAIVHJKTIVXRDS-WTKPLQERSA-N -1 3 395.864 3.201 20 0 GGADHM CN1CCN(Cc2cc(Br)c([O-])c(Br)c2)CC1(C)C ZINC000234359628 1433373858 /nfs/dbraw/zinc/37/38/58/1433373858.db2.gz OGFNILHXLNZXPQ-UHFFFAOYSA-N -1 3 392.135 3.443 20 0 GGADHM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(Br)c(F)c1 ZINC000230599351 1433372846 /nfs/dbraw/zinc/37/28/46/1433372846.db2.gz GSBROYLDFJEATJ-UHFFFAOYSA-N -1 3 382.198 3.120 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000237142038 1433390644 /nfs/dbraw/zinc/39/06/44/1433390644.db2.gz YDJLHSRRZXMVCQ-UHFFFAOYSA-N -1 3 398.431 3.105 20 0 GGADHM Cc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237629064 1433413724 /nfs/dbraw/zinc/41/37/24/1433413724.db2.gz ZWILDBRPGWSZGE-FQEVSTJZSA-N -1 3 395.484 3.434 20 0 GGADHM N[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000237821305 1433426307 /nfs/dbraw/zinc/42/63/07/1433426307.db2.gz QGLBKKQLZSYKKN-IBGZPJMESA-N -1 3 381.457 3.126 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000246121765 1433571576 /nfs/dbraw/zinc/57/15/76/1433571576.db2.gz PHLZZFPUBPCVCS-AHRSYUTCSA-N -1 3 393.487 3.414 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000246121773 1433571680 /nfs/dbraw/zinc/57/16/80/1433571680.db2.gz PHLZZFPUBPCVCS-NSISKUIASA-N -1 3 393.487 3.414 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c(C)o1 ZINC000246331961 1433595988 /nfs/dbraw/zinc/59/59/88/1433595988.db2.gz DTAQABNCQPVBJR-OVWKYPIYSA-N -1 3 396.896 3.277 20 0 GGADHM O=C(Nc1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccs1 ZINC000247464607 1433725876 /nfs/dbraw/zinc/72/58/76/1433725876.db2.gz CDZVHARXSJMAFJ-UHFFFAOYSA-N -1 3 381.339 3.390 20 0 GGADHM O=C(Nc1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1cccs1 ZINC000247464607 1433725877 /nfs/dbraw/zinc/72/58/77/1433725877.db2.gz CDZVHARXSJMAFJ-UHFFFAOYSA-N -1 3 381.339 3.390 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@H]1c1ccccc1 ZINC000247800816 1433751724 /nfs/dbraw/zinc/75/17/24/1433751724.db2.gz FTEXMXOQXVQRTK-SFHVURJKSA-N -1 3 388.464 3.244 20 0 GGADHM O=c1[n-]nc(SCc2cc(-c3ccc(Cl)cc3)no2)n1C[C@@H]1CCCO1 ZINC000247824909 1433752920 /nfs/dbraw/zinc/75/29/20/1433752920.db2.gz ISGQPFBQVJXAFY-ZDUSSCGKSA-N -1 3 392.868 3.351 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000247941801 1433757621 /nfs/dbraw/zinc/75/76/21/1433757621.db2.gz PSRQPCUBMPOMDG-GUYCJALGSA-N -1 3 380.485 3.061 20 0 GGADHM CN(Cc1ccccc1Cl)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000248016382 1433763805 /nfs/dbraw/zinc/76/38/05/1433763805.db2.gz DCMYIQGZGNNAKI-UHFFFAOYSA-N -1 3 396.871 3.192 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000248016897 1433763907 /nfs/dbraw/zinc/76/39/07/1433763907.db2.gz KRHLSZPOZZNIPJ-UHFFFAOYSA-N -1 3 388.712 3.362 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000248016897 1433763912 /nfs/dbraw/zinc/76/39/12/1433763912.db2.gz KRHLSZPOZZNIPJ-UHFFFAOYSA-N -1 3 388.712 3.362 20 0 GGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000248141539 1433773686 /nfs/dbraw/zinc/77/36/86/1433773686.db2.gz FOFIIIJNFVEWIV-CQSZACIVSA-N -1 3 390.480 3.408 20 0 GGADHM CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@H]1CCCO1 ZINC000248528130 1433807020 /nfs/dbraw/zinc/80/70/20/1433807020.db2.gz DIALJBOZIDNXOP-PWRODBHTSA-N -1 3 396.487 3.327 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000248586031 1433809926 /nfs/dbraw/zinc/80/99/26/1433809926.db2.gz GDBGNARDJJERNW-IJLUTSLNSA-N -1 3 398.301 3.226 20 0 GGADHM C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000248598951 1433810533 /nfs/dbraw/zinc/81/05/33/1433810533.db2.gz UCQOCAATIUBCKR-LDQXTDLNSA-N -1 3 396.487 3.015 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)[n-]c1-c1ccccc1 ZINC000249196163 1433838705 /nfs/dbraw/zinc/83/87/05/1433838705.db2.gz BTCNOESYYPLLLA-FRFSOERESA-N -1 3 389.521 3.242 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)c2)n1 ZINC000253542954 1433868646 /nfs/dbraw/zinc/86/86/46/1433868646.db2.gz KVLIGQYTADQHSO-PMUMKWKESA-N -1 3 396.491 3.291 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3C[C@@H](C)OC(C)(C)C3)nc(=O)c2c1C ZINC000253613263 1433870630 /nfs/dbraw/zinc/87/06/30/1433870630.db2.gz QGGXRDGFBQTNQH-ZYHUDNBSSA-N -1 3 393.509 3.442 20 0 GGADHM CCOc1ccccc1OCC(=O)NN=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000254815628 1433872000 /nfs/dbraw/zinc/87/20/00/1433872000.db2.gz BALYYUWANRWQBN-UHFFFAOYSA-N -1 3 392.839 3.372 20 0 GGADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cn(Cc2ccccc2)nn1 ZINC000255004510 1433873957 /nfs/dbraw/zinc/87/39/57/1433873957.db2.gz RYWAPEOWKXRUMI-HJWRWDBZSA-N -1 3 378.417 3.194 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000255064895 1433875495 /nfs/dbraw/zinc/87/54/95/1433875495.db2.gz CFSHQWYNYJCODZ-ATVHPVEESA-N -1 3 391.362 3.415 20 0 GGADHM O=C(Nc1ccncc1)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255067646 1433875617 /nfs/dbraw/zinc/87/56/17/1433875617.db2.gz HZGGXUPMONMGAR-UYRXBGFRSA-N -1 3 384.395 3.057 20 0 GGADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(/C=C\c4ccco4)s3)nn2)cc1 ZINC000255380980 1433881877 /nfs/dbraw/zinc/88/18/77/1433881877.db2.gz MQIWBTWOYBERCN-HJWRWDBZSA-N -1 3 378.417 3.443 20 0 GGADHM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000255418255 1433882484 /nfs/dbraw/zinc/88/24/84/1433882484.db2.gz OWEVBAQMPYIAGY-JTMRULEUSA-N -1 3 399.310 3.351 20 0 GGADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cn(Cc2cccs2)nn1 ZINC000255423461 1433882658 /nfs/dbraw/zinc/88/26/58/1433882658.db2.gz CFKZAVKPSCOTSP-WAYWQWQTSA-N -1 3 384.446 3.255 20 0 GGADHM O=C(Nc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cn1)c1ccccc1 ZINC000255670383 1433887624 /nfs/dbraw/zinc/88/76/24/1433887624.db2.gz JBWQPXGBJURGNO-AQTBWJFISA-N -1 3 384.395 3.057 20 0 GGADHM CCOCCOCc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1C ZINC000255885541 1433890827 /nfs/dbraw/zinc/89/08/27/1433890827.db2.gz ZNRMCDHPXZRJNP-UYRXBGFRSA-N -1 3 380.444 3.271 20 0 GGADHM O=S(=O)([N-]CCNc1ccc(C(F)(F)F)cn1)c1cc(F)ccc1Cl ZINC000261387805 1433895487 /nfs/dbraw/zinc/89/54/87/1433895487.db2.gz KVYXIBWTVPNSAA-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(C4(N)CCC4)no3)cc2)cc1C ZINC000261763270 1433902532 /nfs/dbraw/zinc/90/25/32/1433902532.db2.gz MOFAHBWAUPSBRO-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM NC1(c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)CCCC1 ZINC000261814034 1433905081 /nfs/dbraw/zinc/90/50/81/1433905081.db2.gz PZWCUQPWEDHRGC-UHFFFAOYSA-N -1 3 384.461 3.265 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000262131554 1433928295 /nfs/dbraw/zinc/92/82/95/1433928295.db2.gz KWCJDHXOMHVDKX-MGPLVRAMSA-N -1 3 390.789 3.484 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000262871746 1433963048 /nfs/dbraw/zinc/96/30/48/1433963048.db2.gz DAMPJYSDGKEMKH-GOSISDBHSA-N -1 3 389.883 3.176 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2ccccc2)CC1 ZINC000263023892 1433978210 /nfs/dbraw/zinc/97/82/10/1433978210.db2.gz OTQKTGPFLKKBEA-SXWKCWPCSA-N -1 3 399.535 3.356 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H](CCC(=O)[O-])C3)ccc2c1 ZINC000263028738 1433978414 /nfs/dbraw/zinc/97/84/14/1433978414.db2.gz AZOHRQSIMYALFL-QGZVFWFLSA-N -1 3 398.503 3.384 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000263062889 1433981702 /nfs/dbraw/zinc/98/17/02/1433981702.db2.gz SFYKVXHHZLYEHL-CNNODRBYSA-N -1 3 385.508 3.028 20 0 GGADHM O=C([O-])CC[C@H]1CCCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000263078949 1433983203 /nfs/dbraw/zinc/98/32/03/1433983203.db2.gz HOAFCMYZNULGIK-RDTXWAMCSA-N -1 3 380.435 3.033 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000263213806 1433995727 /nfs/dbraw/zinc/99/57/27/1433995727.db2.gz ZLHFBNHFFVPWDW-LLVKDONJSA-N -1 3 398.385 3.097 20 0 GGADHM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000263318932 1434001729 /nfs/dbraw/zinc/00/17/29/1434001729.db2.gz JDXNNRPEWBTLGK-RXVVDRJESA-N -1 3 394.515 3.367 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000263328711 1434002162 /nfs/dbraw/zinc/00/21/62/1434002162.db2.gz LBIHBSZXNWRUQT-HIFRSBDPSA-N -1 3 398.425 3.239 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC000263344768 1434002819 /nfs/dbraw/zinc/00/28/19/1434002819.db2.gz OHYLLDQJCPMYCZ-VDGAXYAQSA-N -1 3 389.540 3.240 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263355229 1434003119 /nfs/dbraw/zinc/00/31/19/1434003119.db2.gz QQJPKPDBAZSUDB-UWWQBHOKSA-N -1 3 395.931 3.475 20 0 GGADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000263709978 1434023880 /nfs/dbraw/zinc/02/38/80/1434023880.db2.gz BWDHQRMVGSVLKR-UHFFFAOYSA-N -1 3 394.518 3.151 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c(=O)[n-]1 ZINC000264272394 1434090980 /nfs/dbraw/zinc/09/09/80/1434090980.db2.gz SAHLSWOSHXITEJ-UHFFFAOYSA-N -1 3 375.419 3.416 20 0 GGADHM CCc1cc2c(CN[C@H](C(=O)OC)c3ccc(OC)cc3)cc(=O)oc2cc1[O-] ZINC000264513054 1434122360 /nfs/dbraw/zinc/12/23/60/1434122360.db2.gz STGGLJBRAIUDTE-NRFANRHFSA-N -1 3 397.427 3.074 20 0 GGADHM CCOC(=O)c1sc2[n-]c(CSCCc3nc(C)no3)nc(=O)c2c1C ZINC000264986098 1434171675 /nfs/dbraw/zinc/17/16/75/1434171675.db2.gz HZLWTVVMDSSQIL-UHFFFAOYSA-N -1 3 394.478 3.049 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)c(C)c1C ZINC000265301809 1434214591 /nfs/dbraw/zinc/21/45/91/1434214591.db2.gz PJGGKWDJHQKZPF-CQSZACIVSA-N -1 3 392.477 3.086 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@@H]2C(C)C)cc1OC ZINC000265349270 1434222590 /nfs/dbraw/zinc/22/25/90/1434222590.db2.gz QHCGKTUFWZWRQN-MRXNPFEDSA-N -1 3 383.514 3.499 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3cccc4cccnc43)CCCCC2)no1 ZINC000265424494 1434232700 /nfs/dbraw/zinc/23/27/00/1434232700.db2.gz QGMBGJVRDUHMIG-UHFFFAOYSA-N -1 3 386.477 3.205 20 0 GGADHM CCC(CC)C(=O)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000265783469 1434264876 /nfs/dbraw/zinc/26/48/76/1434264876.db2.gz FOUVNICQEHTVMU-UHFFFAOYSA-N -1 3 380.466 3.056 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(OC)cc2C)cc1OC ZINC000266052888 1434299735 /nfs/dbraw/zinc/29/97/35/1434299735.db2.gz IUSJVNJRMVDKBE-UHFFFAOYSA-N -1 3 378.450 3.026 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)C2CC2)n1 ZINC000266196919 1434310067 /nfs/dbraw/zinc/31/00/67/1434310067.db2.gz NUACBYYNNVZMIW-QGZVFWFLSA-N -1 3 388.518 3.126 20 0 GGADHM CC[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccncc1 ZINC000266414953 1434333068 /nfs/dbraw/zinc/33/30/68/1434333068.db2.gz JUBKVIPVBWDIFK-HNNXBMFYSA-N -1 3 392.481 3.125 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)c(C)c1C ZINC000266533571 1434347137 /nfs/dbraw/zinc/34/71/37/1434347137.db2.gz FVHQDIRRTYKFFR-UHFFFAOYSA-N -1 3 389.477 3.033 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)cc1C ZINC000266565859 1434350249 /nfs/dbraw/zinc/35/02/49/1434350249.db2.gz KJFUXDHZQWVPBG-UHFFFAOYSA-N -1 3 389.477 3.033 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)c(C)c1 ZINC000266657155 1434359927 /nfs/dbraw/zinc/35/99/27/1434359927.db2.gz ZOILPXWOLDDNQX-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM O=C(CC[C@H]1CCCO1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000267074312 1434405333 /nfs/dbraw/zinc/40/53/33/1434405333.db2.gz HUPSJENLGNFDOK-OAHLLOKOSA-N -1 3 380.872 3.182 20 0 GGADHM O=C(CC[C@@H]1CCCO1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000267074307 1434405432 /nfs/dbraw/zinc/40/54/32/1434405432.db2.gz HUPSJENLGNFDOK-HNNXBMFYSA-N -1 3 380.872 3.182 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1OC ZINC000267335908 1434423734 /nfs/dbraw/zinc/42/37/34/1434423734.db2.gz BXUFBITTZVHPLJ-LLVKDONJSA-N -1 3 398.510 3.104 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCCCCC(=O)OCc2ccccc2)c(=O)[n-]1 ZINC000267766575 1434462499 /nfs/dbraw/zinc/46/24/99/1434462499.db2.gz DWJUGQFKUZKMEZ-UHFFFAOYSA-N -1 3 399.491 3.152 20 0 GGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1F ZINC000267806431 1434466579 /nfs/dbraw/zinc/46/65/79/1434466579.db2.gz LUAQDHNXWQAZID-UHFFFAOYSA-N -1 3 378.425 3.298 20 0 GGADHM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000267807551 1434466610 /nfs/dbraw/zinc/46/66/10/1434466610.db2.gz LYQYSHJCGQUQND-VWLOTQADSA-N -1 3 393.530 3.388 20 0 GGADHM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000267816346 1434467582 /nfs/dbraw/zinc/46/75/82/1434467582.db2.gz PGBQZUSFFPHQHX-UHFFFAOYSA-N -1 3 388.489 3.211 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(CN3CCOCC3)nc3ccccc32)n1 ZINC000268391103 1434518445 /nfs/dbraw/zinc/51/84/45/1434518445.db2.gz ZCTFGFBLYMNOPN-AWEZNQCLSA-N -1 3 397.504 3.119 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000268394345 1434518601 /nfs/dbraw/zinc/51/86/01/1434518601.db2.gz DKFUFWQNZVVSEA-UHFFFAOYSA-N -1 3 398.438 3.047 20 0 GGADHM CCc1ccc(-c2noc([C@H](C)NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000268543771 1434532022 /nfs/dbraw/zinc/53/20/22/1434532022.db2.gz LRMVCRGRJSBKMV-ZDUSSCGKSA-N -1 3 395.463 3.221 20 0 GGADHM Cc1nnc([C@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)[nH]1 ZINC000268588422 1434537067 /nfs/dbraw/zinc/53/70/67/1434537067.db2.gz ODNXGPVMGHHJTR-SFHVURJKSA-N -1 3 376.460 3.429 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000268592708 1434537501 /nfs/dbraw/zinc/53/75/01/1434537501.db2.gz KCKFUDWJLLYQOI-GFCCVEGCSA-N -1 3 381.835 3.044 20 0 GGADHM COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000268969663 1434577006 /nfs/dbraw/zinc/57/70/06/1434577006.db2.gz GDBZWSXTNHGZAZ-OLZOCXBDSA-N -1 3 386.477 3.261 20 0 GGADHM COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000268969667 1434577013 /nfs/dbraw/zinc/57/70/13/1434577013.db2.gz GDBZWSXTNHGZAZ-STQMWFEESA-N -1 3 386.477 3.261 20 0 GGADHM CCC(CC)n1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)n1 ZINC000269305173 1434620810 /nfs/dbraw/zinc/62/08/10/1434620810.db2.gz ZZPCPALKVXRQSC-UHFFFAOYSA-N -1 3 394.497 3.267 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(OC)cc1)C1CC1 ZINC000269694446 1434669932 /nfs/dbraw/zinc/66/99/32/1434669932.db2.gz YBBFBOMRSCPWSX-SFHVURJKSA-N -1 3 393.436 3.051 20 0 GGADHM COc1cc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc(OC)c1[O-] ZINC000269924312 1434687204 /nfs/dbraw/zinc/68/72/04/1434687204.db2.gz JPTIYGMZPRVRJV-UHFFFAOYSA-N -1 3 389.423 3.027 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1[O-] ZINC000269953615 1434689799 /nfs/dbraw/zinc/68/97/99/1434689799.db2.gz QOVXXFUOIYKNSE-GFCCVEGCSA-N -1 3 384.432 3.249 20 0 GGADHM COc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc(OC)c1[O-] ZINC000269964954 1434690680 /nfs/dbraw/zinc/69/06/80/1434690680.db2.gz UDLBDIVNSGGZAI-LJQANCHMSA-N -1 3 385.416 3.062 20 0 GGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000269976548 1434691365 /nfs/dbraw/zinc/69/13/65/1434691365.db2.gz XLKTZTVVDIKRFZ-OAHLLOKOSA-N -1 3 387.432 3.404 20 0 GGADHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000269985226 1434691749 /nfs/dbraw/zinc/69/17/49/1434691749.db2.gz ZTNXIRBSIMDYBF-CYBMUJFWSA-N -1 3 386.448 3.324 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2c(C)noc2C)cc1OC ZINC000270067016 1434699013 /nfs/dbraw/zinc/69/90/13/1434699013.db2.gz YHIAGIOWKKGUBF-LLVKDONJSA-N -1 3 395.481 3.194 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c1 ZINC000270116482 1434704879 /nfs/dbraw/zinc/70/48/79/1434704879.db2.gz NUGOSOSYAQNLMH-KRWDZBQOSA-N -1 3 392.459 3.314 20 0 GGADHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000270174981 1434709449 /nfs/dbraw/zinc/70/94/49/1434709449.db2.gz VYNXVJJTDGJDEJ-QGZVFWFLSA-N -1 3 393.491 3.081 20 0 GGADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000270174976 1434709491 /nfs/dbraw/zinc/70/94/91/1434709491.db2.gz VYNXVJJTDGJDEJ-KRWDZBQOSA-N -1 3 393.491 3.081 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000270292045 1434720412 /nfs/dbraw/zinc/72/04/12/1434720412.db2.gz LPKQSLXJVVNWPP-LBPRGKRZSA-N -1 3 375.429 3.040 20 0 GGADHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1csc([C@@H]2CCCO2)n1 ZINC000270521989 1434740908 /nfs/dbraw/zinc/74/09/08/1434740908.db2.gz ZCFSIXGBMBFTKV-NSHDSACASA-N -1 3 377.376 3.310 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1C(C)C ZINC000270562722 1434744854 /nfs/dbraw/zinc/74/48/54/1434744854.db2.gz DMPBSGVQPYNOEH-UHFFFAOYSA-N -1 3 392.481 3.127 20 0 GGADHM COc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)cc(OC)c1[O-] ZINC000270592619 1434748012 /nfs/dbraw/zinc/74/80/12/1434748012.db2.gz CRDMPVNMUPSIJC-MRXNPFEDSA-N -1 3 387.432 3.222 20 0 GGADHM COc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)cc(OC)c1[O-] ZINC000270592618 1434748188 /nfs/dbraw/zinc/74/81/88/1434748188.db2.gz CRDMPVNMUPSIJC-INIZCTEOSA-N -1 3 387.432 3.222 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc(OC)c1[O-] ZINC000270637698 1434754367 /nfs/dbraw/zinc/75/43/67/1434754367.db2.gz FSSXWOOIMOMLMK-ZDUSSCGKSA-N -1 3 384.432 3.027 20 0 GGADHM COc1ccc(C(C)(C)CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000270750414 1434769854 /nfs/dbraw/zinc/76/98/54/1434769854.db2.gz JSEVNGISIGOZKT-UHFFFAOYSA-N -1 3 389.448 3.134 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc(OC)c1[O-] ZINC000270761192 1434771812 /nfs/dbraw/zinc/77/18/12/1434771812.db2.gz XRIITSZQSPPEEO-LBPRGKRZSA-N -1 3 399.447 3.184 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCc2cccc(F)c2C1 ZINC000271033739 1434797349 /nfs/dbraw/zinc/79/73/49/1434797349.db2.gz IVNXKXIHECOFNI-UHFFFAOYSA-N -1 3 392.434 3.209 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000271110672 1434802662 /nfs/dbraw/zinc/80/26/62/1434802662.db2.gz IVSCAMYJZWKRHF-WMZOPIPTSA-N -1 3 398.507 3.195 20 0 GGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(O)cc3[O-])C2)cc1 ZINC000271246249 1434810680 /nfs/dbraw/zinc/81/06/80/1434810680.db2.gz GDBPAOYALPEKEC-OAHLLOKOSA-N -1 3 383.448 3.080 20 0 GGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000271270029 1434812166 /nfs/dbraw/zinc/81/21/66/1434812166.db2.gz LMFMWGQYVGMQNN-TZMCWYRMSA-N -1 3 389.477 3.345 20 0 GGADHM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271288114 1434813189 /nfs/dbraw/zinc/81/31/89/1434813189.db2.gz DWDVRSZFRFKNNQ-UHFFFAOYSA-N -1 3 386.473 3.013 20 0 GGADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000271349203 1434818277 /nfs/dbraw/zinc/81/82/77/1434818277.db2.gz VWEWXAAFIQMFEX-UHFFFAOYSA-N -1 3 384.461 3.091 20 0 GGADHM CC[C@H]1CC[C@@H](C)N1Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000271567233 1434835683 /nfs/dbraw/zinc/83/56/83/1434835683.db2.gz QLVSMKQNWZUSET-YPMHNXCESA-N -1 3 393.509 3.271 20 0 GGADHM CC(C)Cc1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)s1 ZINC000271699729 1434844822 /nfs/dbraw/zinc/84/48/22/1434844822.db2.gz HATVDOGHKZEQGP-UHFFFAOYSA-N -1 3 397.522 3.180 20 0 GGADHM C[C@H]1CCc2c(sc3[nH]c(CCC(=O)[N-]OC4CCCC4)nc(=O)c23)C1 ZINC000271770832 1434849360 /nfs/dbraw/zinc/84/93/60/1434849360.db2.gz NTCSCIWHYFJPTF-NSHDSACASA-N -1 3 375.494 3.445 20 0 GGADHM COc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(OC)c1 ZINC000272009242 1434865656 /nfs/dbraw/zinc/86/56/56/1434865656.db2.gz ANYTZSXQCQEVNW-LBPRGKRZSA-N -1 3 380.466 3.257 20 0 GGADHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 ZINC000272072755 1434870265 /nfs/dbraw/zinc/87/02/65/1434870265.db2.gz KMRZQAIMEOFCHU-OAHLLOKOSA-N -1 3 392.477 3.401 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000272108960 1434872797 /nfs/dbraw/zinc/87/27/97/1434872797.db2.gz NAANCDZIDRJPSP-KBXCAEBGSA-N -1 3 377.824 3.323 20 0 GGADHM COc1ccc(N[C@H](C)c2ccc3c(c2)OCCCO3)cc1[N-]S(C)(=O)=O ZINC000272143953 1434874681 /nfs/dbraw/zinc/87/46/81/1434874681.db2.gz WVNUPSGTGGLYEO-CYBMUJFWSA-N -1 3 392.477 3.401 20 0 GGADHM COC1(C)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000272505722 1434901607 /nfs/dbraw/zinc/90/16/07/1434901607.db2.gz FIKPSDGBNYATLB-FQEVSTJZSA-N -1 3 396.487 3.281 20 0 GGADHM COC1(C)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000272505736 1434901614 /nfs/dbraw/zinc/90/16/14/1434901614.db2.gz FIKPSDGBNYATLB-HXUWFJFHSA-N -1 3 396.487 3.281 20 0 GGADHM CCOCCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272653287 1434919934 /nfs/dbraw/zinc/91/99/34/1434919934.db2.gz ZUVFNNWIPAYFGT-HXUWFJFHSA-N -1 3 384.476 3.186 20 0 GGADHM CCC[C@H](CCO)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272657440 1434920289 /nfs/dbraw/zinc/92/02/89/1434920289.db2.gz GKMQPALNDKLMCE-UTKZUKDTSA-N -1 3 398.503 3.168 20 0 GGADHM C[C@@]1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCCOC1 ZINC000272938759 1434942467 /nfs/dbraw/zinc/94/24/67/1434942467.db2.gz RPBQNQGPQQKRIO-LJQANCHMSA-N -1 3 380.872 3.039 20 0 GGADHM O=C([N-][C@H]1CCCN(Cc2ccccn2)C1=O)C(F)(F)c1cccc(Cl)c1 ZINC000273146572 1434966479 /nfs/dbraw/zinc/96/64/79/1434966479.db2.gz LAWOWHGSXKPCDK-INIZCTEOSA-N -1 3 393.821 3.134 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccco2)c1 ZINC000273245629 1434975286 /nfs/dbraw/zinc/97/52/86/1434975286.db2.gz BDNZEPHCLBWZGY-LBPRGKRZSA-N -1 3 383.404 3.285 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000273250435 1434975617 /nfs/dbraw/zinc/97/56/17/1434975617.db2.gz DDCFPUIIIDMCQF-MJGOQNOKSA-N -1 3 387.455 3.249 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000273250433 1434975665 /nfs/dbraw/zinc/97/56/65/1434975665.db2.gz DDCFPUIIIDMCQF-IEBWSBKVSA-N -1 3 387.455 3.249 20 0 GGADHM CCN(Cc1ccccc1)c1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000273314426 1434980256 /nfs/dbraw/zinc/98/02/56/1434980256.db2.gz YFZXVTWUYUNPCS-UHFFFAOYSA-N -1 3 388.471 3.407 20 0 GGADHM COc1ccc(-c2cc(C(=O)N3CCc4c(nc[n-]c4=O)C3)sc2C)cc1 ZINC000273319134 1434980391 /nfs/dbraw/zinc/98/03/91/1434980391.db2.gz ZEGFJFZYQCVOJA-UHFFFAOYSA-N -1 3 381.457 3.426 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273623261 1435000332 /nfs/dbraw/zinc/00/03/32/1435000332.db2.gz ZUJANCOLFOOKKF-FXAWDEMLSA-N -1 3 386.423 3.482 20 0 GGADHM NC(=O)[C@@H]1CCCN1Cc1ccccc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000273759590 1435011423 /nfs/dbraw/zinc/01/14/23/1435011423.db2.gz CUZKJHRIYCTUOE-INIZCTEOSA-N -1 3 398.850 3.212 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc(OC)c1[O-] ZINC000273863934 1435023017 /nfs/dbraw/zinc/02/30/17/1435023017.db2.gz OODFENHVCHCNTG-UONOGXRCSA-N -1 3 377.462 3.199 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc(OC)c1[O-] ZINC000273863928 1435023081 /nfs/dbraw/zinc/02/30/81/1435023081.db2.gz OODFENHVCHCNTG-KBPBESRZSA-N -1 3 377.462 3.199 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000273890891 1435025686 /nfs/dbraw/zinc/02/56/86/1435025686.db2.gz BCVGGYCFYQHNFE-OAHLLOKOSA-N -1 3 389.374 3.122 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000273890891 1435025687 /nfs/dbraw/zinc/02/56/87/1435025687.db2.gz BCVGGYCFYQHNFE-OAHLLOKOSA-N -1 3 389.374 3.122 20 0 GGADHM O=C1C[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CN1C1CC1 ZINC000274092661 1435043036 /nfs/dbraw/zinc/04/30/36/1435043036.db2.gz ZXVZLDPHVILQCO-HNNXBMFYSA-N -1 3 391.427 3.500 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274325473 1435062066 /nfs/dbraw/zinc/06/20/66/1435062066.db2.gz JPEJXBSJBGQZMJ-LLVKDONJSA-N -1 3 387.379 3.320 20 0 GGADHM COc1ccc(NCc2ccc3c(c2)COC(C)(C)O3)cc1[N-]S(C)(=O)=O ZINC000274701800 1435086381 /nfs/dbraw/zinc/08/63/81/1435086381.db2.gz YDKOLIOHWGDDCN-UHFFFAOYSA-N -1 3 392.477 3.324 20 0 GGADHM O=C(c1cccc(NC([O-])=NO[C@H]2CCCCO2)c1)N1CCc2ccccc21 ZINC000274788689 1435092602 /nfs/dbraw/zinc/09/26/02/1435092602.db2.gz NDIUTAOMQQAVTQ-IBGZPJMESA-N -1 3 381.432 3.469 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000274788689 1435092603 /nfs/dbraw/zinc/09/26/03/1435092603.db2.gz NDIUTAOMQQAVTQ-IBGZPJMESA-N -1 3 381.432 3.469 20 0 GGADHM COC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1F ZINC000274842646 1435097186 /nfs/dbraw/zinc/09/71/86/1435097186.db2.gz WIMPCCPJXPGCOV-VOJFVSQTSA-N -1 3 398.456 3.141 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000274888857 1435101378 /nfs/dbraw/zinc/10/13/78/1435101378.db2.gz JATYLDHQDRIKBU-QGZVFWFLSA-N -1 3 399.875 3.167 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000274888857 1435101380 /nfs/dbraw/zinc/10/13/80/1435101380.db2.gz JATYLDHQDRIKBU-QGZVFWFLSA-N -1 3 399.875 3.167 20 0 GGADHM O=C(NCc1ccccc1F)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274953162 1435105770 /nfs/dbraw/zinc/10/57/70/1435105770.db2.gz VKNUABSQVAFSBS-SFHVURJKSA-N -1 3 387.411 3.335 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000274953162 1435105772 /nfs/dbraw/zinc/10/57/72/1435105772.db2.gz VKNUABSQVAFSBS-SFHVURJKSA-N -1 3 387.411 3.335 20 0 GGADHM COc1cc(-c2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)cc(OC)c1[O-] ZINC000274991810 1435108133 /nfs/dbraw/zinc/10/81/33/1435108133.db2.gz FDLPNYBQQPCXNJ-NSHDSACASA-N -1 3 393.440 3.257 20 0 GGADHM COc1cc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)cc(OC)c1[O-] ZINC000275021170 1435110313 /nfs/dbraw/zinc/11/03/13/1435110313.db2.gz SWPLIJGYBDPHTI-UHFFFAOYSA-N -1 3 381.388 3.475 20 0 GGADHM COc1cc(-c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)cc(OC)c1[O-] ZINC000275150599 1435119400 /nfs/dbraw/zinc/11/94/00/1435119400.db2.gz RMUUWJFUEMIEQX-UHFFFAOYSA-N -1 3 391.424 3.363 20 0 GGADHM COc1cc(-c2nc([C@@H](C)CN(C)C(=O)OC(C)(C)C)no2)cc(OC)c1[O-] ZINC000275188038 1435121294 /nfs/dbraw/zinc/12/12/94/1435121294.db2.gz XLQXGYAUNYMDLX-NSHDSACASA-N -1 3 393.440 3.430 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@H](C)CC[C@H]3CC)c2)n1 ZINC000275932263 1435180676 /nfs/dbraw/zinc/18/06/76/1435180676.db2.gz ADAKXTXKLCQGCI-CXAGYDPISA-N -1 3 382.464 3.140 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC(C)(C)C3)c2)n1 ZINC000276121501 1435192138 /nfs/dbraw/zinc/19/21/38/1435192138.db2.gz LWTOLEBMSORRRB-QGZVFWFLSA-N -1 3 396.491 3.435 20 0 GGADHM CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2O1 ZINC000276323987 1435204968 /nfs/dbraw/zinc/20/49/68/1435204968.db2.gz HMKCZISMWMXSIW-UHFFFAOYSA-N -1 3 388.395 3.074 20 0 GGADHM CCC1(CC)Oc2ccc(NC(=O)c3cc(S(=O)(=O)[N-]C)oc3C)cc2O1 ZINC000276394568 1435209094 /nfs/dbraw/zinc/20/90/94/1435209094.db2.gz SHCVEEQIEDUBEN-UHFFFAOYSA-N -1 3 394.449 3.036 20 0 GGADHM CCCCc1nc(NC(=O)c2cccc(NC(C)=O)c2C)c(C(=O)OCC)[n-]1 ZINC000276724234 1435228040 /nfs/dbraw/zinc/22/80/40/1435228040.db2.gz BYJGQFLWZIIYHM-UHFFFAOYSA-N -1 3 386.452 3.448 20 0 GGADHM CC[C@@]1(c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2)CCC(=O)NC1=O ZINC000277327517 1435294486 /nfs/dbraw/zinc/29/44/86/1435294486.db2.gz GDZAXYKLVGUJKC-FQEVSTJZSA-N -1 3 386.835 3.382 20 0 GGADHM CCOc1c(Cl)cc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1OC ZINC000277384049 1435300552 /nfs/dbraw/zinc/30/05/52/1435300552.db2.gz QXUAZWWNWYEMCY-CYBMUJFWSA-N -1 3 387.860 3.022 20 0 GGADHM CCOCCCNC(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000277424271 1435303757 /nfs/dbraw/zinc/30/37/57/1435303757.db2.gz MNSBYZOLHFGXAR-UHFFFAOYSA-N -1 3 376.840 3.454 20 0 GGADHM COC(=O)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(OC)c(OC)c1 ZINC000277511176 1435309327 /nfs/dbraw/zinc/30/93/27/1435309327.db2.gz SLHIUFMTNDFTRP-HNNXBMFYSA-N -1 3 393.823 3.097 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C=Cc3cc(C)cc(C)c3)CC2)[n-]1 ZINC000277613595 1435316420 /nfs/dbraw/zinc/31/64/20/1435316420.db2.gz FZNMQOLJCZCMQF-AATRIKPKSA-N -1 3 382.464 3.018 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C=Cc3cc(C)cc(C)c3)CC2)n[n-]1 ZINC000277613595 1435316423 /nfs/dbraw/zinc/31/64/23/1435316423.db2.gz FZNMQOLJCZCMQF-AATRIKPKSA-N -1 3 382.464 3.018 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)[n-]1 ZINC000277678783 1435321451 /nfs/dbraw/zinc/32/14/51/1435321451.db2.gz FIWIWQPYFGHTRO-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)n[n-]1 ZINC000277678783 1435321453 /nfs/dbraw/zinc/32/14/53/1435321453.db2.gz FIWIWQPYFGHTRO-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C=Cc3ccc(Cl)cc3)CC2)[n-]1 ZINC000277751463 1435326981 /nfs/dbraw/zinc/32/69/81/1435326981.db2.gz PRCXQJUTGUWIFU-VMPITWQZSA-N -1 3 388.855 3.054 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C=Cc3ccc(Cl)cc3)CC2)n[n-]1 ZINC000277751463 1435326984 /nfs/dbraw/zinc/32/69/84/1435326984.db2.gz PRCXQJUTGUWIFU-VMPITWQZSA-N -1 3 388.855 3.054 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(C(F)F)c3)CC2)[n-]1 ZINC000277754241 1435327154 /nfs/dbraw/zinc/32/71/54/1435327154.db2.gz QPJGPLNSKWRAHV-UHFFFAOYSA-N -1 3 393.394 3.331 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(C(F)F)c3)CC2)n[n-]1 ZINC000277754241 1435327157 /nfs/dbraw/zinc/32/71/57/1435327157.db2.gz QPJGPLNSKWRAHV-UHFFFAOYSA-N -1 3 393.394 3.331 20 0 GGADHM CCC[C@@H](NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277754201 1435327295 /nfs/dbraw/zinc/32/72/95/1435327295.db2.gz JNSYRNWLWKRLAM-QGZVFWFLSA-N -1 3 399.495 3.412 20 0 GGADHM CCC[C@@H](NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277754201 1435327297 /nfs/dbraw/zinc/32/72/97/1435327297.db2.gz JNSYRNWLWKRLAM-QGZVFWFLSA-N -1 3 399.495 3.412 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3c(C)cccc3CC)CC2)[n-]1 ZINC000277767217 1435328521 /nfs/dbraw/zinc/32/85/21/1435328521.db2.gz KSWDLFDFVSBXDL-UHFFFAOYSA-N -1 3 385.468 3.264 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3c(C)cccc3CC)CC2)n[n-]1 ZINC000277767217 1435328523 /nfs/dbraw/zinc/32/85/23/1435328523.db2.gz KSWDLFDFVSBXDL-UHFFFAOYSA-N -1 3 385.468 3.264 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](C)CCCc3ccccc3)CC2)[n-]1 ZINC000277785333 1435330107 /nfs/dbraw/zinc/33/01/07/1435330107.db2.gz SDEVHQNKHVRQJH-INIZCTEOSA-N -1 3 398.507 3.346 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](C)CCCc3ccccc3)CC2)n[n-]1 ZINC000277785333 1435330109 /nfs/dbraw/zinc/33/01/09/1435330109.db2.gz SDEVHQNKHVRQJH-INIZCTEOSA-N -1 3 398.507 3.346 20 0 GGADHM CCOCCCNC(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000277793630 1435331076 /nfs/dbraw/zinc/33/10/76/1435331076.db2.gz IHDWSBZFQMMWRZ-UHFFFAOYSA-N -1 3 395.459 3.118 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)[n-]1 ZINC000277810386 1435332593 /nfs/dbraw/zinc/33/25/93/1435332593.db2.gz UTEZDTVNZIEFDY-UHFFFAOYSA-N -1 3 382.420 3.056 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)n[n-]1 ZINC000277810386 1435332596 /nfs/dbraw/zinc/33/25/96/1435332596.db2.gz UTEZDTVNZIEFDY-UHFFFAOYSA-N -1 3 382.420 3.056 20 0 GGADHM O=C(Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1)N1CCSCC1 ZINC000277816846 1435333193 /nfs/dbraw/zinc/33/31/93/1435333193.db2.gz WSVDIYFFTPCNKD-UHFFFAOYSA-N -1 3 390.892 3.416 20 0 GGADHM CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000277861505 1435337047 /nfs/dbraw/zinc/33/70/47/1435337047.db2.gz YCQWCSNVYQUVMJ-QGZVFWFLSA-N -1 3 389.473 3.224 20 0 GGADHM Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1OCC1CCOCC1 ZINC000277870436 1435337892 /nfs/dbraw/zinc/33/78/92/1435337892.db2.gz AVGLAURXUABHPG-CQSZACIVSA-N -1 3 386.370 3.178 20 0 GGADHM CC(C)CNC(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000278019619 1435350723 /nfs/dbraw/zinc/35/07/23/1435350723.db2.gz VXDBFTRLZSEIGJ-UHFFFAOYSA-N -1 3 381.432 3.336 20 0 GGADHM CCOC(=O)c1cc2cc(-n3c(=O)[nH]c(CC(F)(F)F)c3[O-])ccc2s1 ZINC000278131497 1435362647 /nfs/dbraw/zinc/36/26/47/1435362647.db2.gz RDILOUQNXYWYJM-SNVBAGLBSA-N -1 3 386.351 3.455 20 0 GGADHM CC(C)(C)OC(=O)NCc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278154638 1435364643 /nfs/dbraw/zinc/36/46/43/1435364643.db2.gz SYVDEKMSHRIZKS-GFCCVEGCSA-N -1 3 387.358 3.089 20 0 GGADHM CCc1nc2ccccc2n1Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000278178477 1435366775 /nfs/dbraw/zinc/36/67/75/1435366775.db2.gz UFCILWUZQCBMSX-UHFFFAOYSA-N -1 3 380.404 3.420 20 0 GGADHM CCN(C(=O)Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1)c1ccccc1 ZINC000278333831 1435380936 /nfs/dbraw/zinc/38/09/36/1435380936.db2.gz YRNQOFWQMRZVHK-UHFFFAOYSA-N -1 3 383.404 3.055 20 0 GGADHM COc1ccccc1-c1noc([C@H](C)[N-]C(=O)C(F)(F)c2ncccc2C)n1 ZINC000278346368 1435382251 /nfs/dbraw/zinc/38/22/51/1435382251.db2.gz MODZSGRQCQCVGF-LBPRGKRZSA-N -1 3 388.374 3.418 20 0 GGADHM Cc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C(=O)N1CCCCC1 ZINC000278562611 1435400194 /nfs/dbraw/zinc/40/01/94/1435400194.db2.gz WKSZNQQMITWRML-UHFFFAOYSA-N -1 3 396.491 3.305 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000278636514 1435408276 /nfs/dbraw/zinc/40/82/76/1435408276.db2.gz MPZZUENEPQQDFV-OCCSQVGLSA-N -1 3 381.448 3.119 20 0 GGADHM Cc1nc(Cn2cc(C(=O)[N-]c3cc(Cl)ccc3SC(C)C)nn2)no1 ZINC000278707881 1435415921 /nfs/dbraw/zinc/41/59/21/1435415921.db2.gz KOFUBNXHGPJXEE-UHFFFAOYSA-N -1 3 392.872 3.424 20 0 GGADHM O=C(c1ccccc1[O-])N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000279134177 1435463756 /nfs/dbraw/zinc/46/37/56/1435463756.db2.gz FHQFVTIXXSVTLZ-UHFFFAOYSA-N -1 3 381.350 3.415 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCSC1 ZINC000279251781 1435477704 /nfs/dbraw/zinc/47/77/04/1435477704.db2.gz RZRLIPQFESPJPV-HNAYVOBHSA-N -1 3 384.501 3.123 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)c[n-]c12 ZINC000279411477 1435496516 /nfs/dbraw/zinc/49/65/16/1435496516.db2.gz SKCCWGBXRRQGBV-GFCCVEGCSA-N -1 3 384.411 3.268 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000279557181 1435512925 /nfs/dbraw/zinc/51/29/25/1435512925.db2.gz RLYIGCQPNUQVGL-FQEVSTJZSA-N -1 3 399.516 3.361 20 0 GGADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000279710308 1435533486 /nfs/dbraw/zinc/53/34/86/1435533486.db2.gz ASKGGIJIXYGWTD-JSGCOSHPSA-N -1 3 392.883 3.228 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000279809582 1435546164 /nfs/dbraw/zinc/54/61/64/1435546164.db2.gz NUUCHEFNWVHQIL-LJQANCHMSA-N -1 3 392.434 3.428 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000279809579 1435546337 /nfs/dbraw/zinc/54/63/37/1435546337.db2.gz NUUCHEFNWVHQIL-IBGZPJMESA-N -1 3 392.434 3.428 20 0 GGADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000279823308 1435547499 /nfs/dbraw/zinc/54/74/99/1435547499.db2.gz DRACTRZZSHKGEM-LBPRGKRZSA-N -1 3 396.369 3.246 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c(C)o1 ZINC000279842692 1435550235 /nfs/dbraw/zinc/55/02/35/1435550235.db2.gz SDPUDUJNKORLIB-UHFFFAOYSA-N -1 3 394.880 3.079 20 0 GGADHM CCCCc1nc(NC(=O)c2cc3nccnc3cc2F)c(C(=O)OCC)[n-]1 ZINC000279858528 1435553427 /nfs/dbraw/zinc/55/34/27/1435553427.db2.gz BLLAKMGAFPAWNH-UHFFFAOYSA-N -1 3 385.399 3.264 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cccc1NC(=O)N(C)C ZINC000279971132 1435570896 /nfs/dbraw/zinc/57/08/96/1435570896.db2.gz OVRRXDBJFXHTLN-LBPRGKRZSA-N -1 3 389.477 3.213 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1c[nH]c2ccccc21 ZINC000280047276 1435583146 /nfs/dbraw/zinc/58/31/46/1435583146.db2.gz ZZLNRYAQUFMBSB-MRXNPFEDSA-N -1 3 391.471 3.352 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)ccc1C ZINC000280169992 1435603109 /nfs/dbraw/zinc/60/31/09/1435603109.db2.gz BMYRGEAHQFJOFR-UHFFFAOYSA-N -1 3 395.912 3.469 20 0 GGADHM C[C@@]1(O)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000280527006 1435673706 /nfs/dbraw/zinc/67/37/06/1435673706.db2.gz JJRHFSQSAZZPOJ-NZQKXSOJSA-N -1 3 396.487 3.017 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCOCc4ccccc43)nc(=O)c2c1C ZINC000280559239 1435679846 /nfs/dbraw/zinc/67/98/46/1435679846.db2.gz UWWSMXSUNMBBPN-UHFFFAOYSA-N -1 3 385.445 3.029 20 0 GGADHM COc1ccc([C@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCCC2)cc1 ZINC000280832270 1435727940 /nfs/dbraw/zinc/72/79/40/1435727940.db2.gz UJWFTYNPFBRNGW-INIZCTEOSA-N -1 3 376.403 3.246 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000280898007 1435738409 /nfs/dbraw/zinc/73/84/09/1435738409.db2.gz CFWCGDROFZMUCQ-INIZCTEOSA-N -1 3 385.430 3.484 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000280898012 1435738583 /nfs/dbraw/zinc/73/85/83/1435738583.db2.gz CFWCGDROFZMUCQ-MRXNPFEDSA-N -1 3 385.430 3.484 20 0 GGADHM O=C([N-]CC1CCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1)C(F)(F)F ZINC000281001400 1435754331 /nfs/dbraw/zinc/75/43/31/1435754331.db2.gz LUQOVYCJVBTHNC-MRXNPFEDSA-N -1 3 383.414 3.164 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000281206664 1435796112 /nfs/dbraw/zinc/79/61/12/1435796112.db2.gz YMNXMBLKUQFAJI-GXFFZTMASA-N -1 3 379.382 3.491 20 0 GGADHM O=C(CN1CCC(C[N-]C(=O)C(F)(F)F)CC1)Nc1ccc2ccccc2c1 ZINC000281266117 1435801610 /nfs/dbraw/zinc/80/16/10/1435801610.db2.gz HTGHZDYVBPLSFQ-UHFFFAOYSA-N -1 3 393.409 3.169 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)ccc1C ZINC000281336618 1435804256 /nfs/dbraw/zinc/80/42/56/1435804256.db2.gz JSAZXAQUXWJRPA-UHFFFAOYSA-N -1 3 395.912 3.469 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281343381 1435804734 /nfs/dbraw/zinc/80/47/34/1435804734.db2.gz MPTLGJJGAVNOLQ-NSHDSACASA-N -1 3 391.821 3.058 20 0 GGADHM Cn1c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc2cc(Cl)ccc21 ZINC000281368607 1435806049 /nfs/dbraw/zinc/80/60/49/1435806049.db2.gz VIMXVPGHOPGVNP-UHFFFAOYSA-N -1 3 388.821 3.117 20 0 GGADHM Cc1cccc(NC(=O)[C@@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000281401406 1435807387 /nfs/dbraw/zinc/80/73/87/1435807387.db2.gz QMDXYLYIBYTIOK-CQSZACIVSA-N -1 3 385.430 3.021 20 0 GGADHM O=C(CN1CCC(C[N-]C(=O)C(F)(F)F)CC1)Nc1cccc2ccccc21 ZINC000281416603 1435808141 /nfs/dbraw/zinc/80/81/41/1435808141.db2.gz RLTHVFYDWLSBKT-UHFFFAOYSA-N -1 3 393.409 3.169 20 0 GGADHM Cn1cc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc21 ZINC000281567591 1435813970 /nfs/dbraw/zinc/81/39/70/1435813970.db2.gz ANKCLPDCTMCEAV-UHFFFAOYSA-N -1 3 395.425 3.028 20 0 GGADHM Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281593484 1435814918 /nfs/dbraw/zinc/81/49/18/1435814918.db2.gz CNSRMGKCPAPLFS-UHFFFAOYSA-N -1 3 397.372 3.213 20 0 GGADHM O=C([N-]CC1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1)C(F)(F)F ZINC000281599458 1435815166 /nfs/dbraw/zinc/81/51/66/1435815166.db2.gz DCIAREXTXJHAKL-UHFFFAOYSA-N -1 3 386.389 3.165 20 0 GGADHM C[C@H](SCc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281601460 1435815306 /nfs/dbraw/zinc/81/53/06/1435815306.db2.gz DEMIQRZPIZRYFT-ZDUSSCGKSA-N -1 3 388.455 3.225 20 0 GGADHM O=C(Cc1ccc2ccccc2c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281682430 1435818354 /nfs/dbraw/zinc/81/83/54/1435818354.db2.gz KTXFUJIGETTYKE-UHFFFAOYSA-N -1 3 378.394 3.299 20 0 GGADHM CCSCc1ccccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281721729 1435819525 /nfs/dbraw/zinc/81/95/25/1435819525.db2.gz NMUBKXRMPQMAEK-UHFFFAOYSA-N -1 3 388.455 3.470 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281726979 1435819776 /nfs/dbraw/zinc/81/97/76/1435819776.db2.gz CMZJPEUMDIRVOV-KBPBESRZSA-N -1 3 385.430 3.279 20 0 GGADHM C[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cn(C)c2ccccc12 ZINC000281758543 1435821084 /nfs/dbraw/zinc/82/10/84/1435821084.db2.gz PWIAQNVKDODMMA-CYBMUJFWSA-N -1 3 395.425 3.199 20 0 GGADHM CO[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H](C)C1 ZINC000281782369 1435821860 /nfs/dbraw/zinc/82/18/60/1435821860.db2.gz NDZBMAQXAYDTEC-HBGVWJBISA-N -1 3 396.487 3.279 20 0 GGADHM CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281792972 1435822224 /nfs/dbraw/zinc/82/22/24/1435822224.db2.gz IALZELOBYUTNKD-MRXNPFEDSA-N -1 3 385.430 3.108 20 0 GGADHM Cn1cc(/C=C/C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc21 ZINC000281832761 1435823591 /nfs/dbraw/zinc/82/35/91/1435823591.db2.gz WMCGBBVLNRAMHS-VOTSOKGWSA-N -1 3 393.409 3.109 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1N1CCOC1=O ZINC000281884084 1435825387 /nfs/dbraw/zinc/82/53/87/1435825387.db2.gz CXWDXRJJBLYHGC-UHFFFAOYSA-N -1 3 394.424 3.209 20 0 GGADHM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(C)c1ccccc1 ZINC000281903122 1435826060 /nfs/dbraw/zinc/82/60/60/1435826060.db2.gz PIYYQEGPCINYFM-CQSZACIVSA-N -1 3 399.457 3.453 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCC=C(C)C3)c2)c1 ZINC000281931751 1435827372 /nfs/dbraw/zinc/82/73/72/1435827372.db2.gz ZYEKBGQPTUDLHG-UHFFFAOYSA-N -1 3 396.443 3.454 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000281971052 1435829059 /nfs/dbraw/zinc/82/90/59/1435829059.db2.gz VAXJBXMKBKKOPZ-NSHDSACASA-N -1 3 391.459 3.088 20 0 GGADHM Cc1nc(-c2ccccn2)nc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000282034332 1435831868 /nfs/dbraw/zinc/83/18/68/1435831868.db2.gz YLMAWUUPLLBOSK-UHFFFAOYSA-N -1 3 393.413 3.050 20 0 GGADHM CC(C)(C)n1ncnc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000282255022 1435840325 /nfs/dbraw/zinc/84/03/25/1435840325.db2.gz RRLRVVGDICCOLE-UHFFFAOYSA-N -1 3 381.465 3.160 20 0 GGADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000282477397 1435848651 /nfs/dbraw/zinc/84/86/51/1435848651.db2.gz SGOLOUUJXBAWHH-UHFFFAOYSA-N -1 3 387.505 3.180 20 0 GGADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000282634718 1435854496 /nfs/dbraw/zinc/85/44/96/1435854496.db2.gz YXQYESSOTAEZMS-RNODOKPDSA-N -1 3 398.438 3.152 20 0 GGADHM COCCCOc1cccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000282813936 1435861394 /nfs/dbraw/zinc/86/13/94/1435861394.db2.gz OOVNJSDKLULZIY-UHFFFAOYSA-N -1 3 394.493 3.094 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCc2nc(C)cs2)cc1OC ZINC000282917168 1435866064 /nfs/dbraw/zinc/86/60/64/1435866064.db2.gz DZNKBTMDPKJGHQ-UHFFFAOYSA-N -1 3 397.522 3.183 20 0 GGADHM CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cncc([O-])c1 ZINC000283277171 1435882546 /nfs/dbraw/zinc/88/25/46/1435882546.db2.gz BEPZYDRCBHZCBV-UHFFFAOYSA-N -1 3 380.448 3.115 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000284649752 1436037302 /nfs/dbraw/zinc/03/73/02/1436037302.db2.gz FDQAZHHPWVKYKQ-ZDUSSCGKSA-N -1 3 387.457 3.143 20 0 GGADHM CCCCC[C@@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccccc1 ZINC000736441338 1441443808 /nfs/dbraw/zinc/44/38/08/1441443808.db2.gz PSPOHBQZYYZONN-GOSISDBHSA-N -1 3 376.468 3.321 20 0 GGADHM CCCCC[C@@H](NCc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccccc1 ZINC000736441338 1441443810 /nfs/dbraw/zinc/44/38/10/1441443810.db2.gz PSPOHBQZYYZONN-GOSISDBHSA-N -1 3 376.468 3.321 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC(OCc2ccccc2)CC1 ZINC000821731828 1441462913 /nfs/dbraw/zinc/46/29/13/1441462913.db2.gz HGHFHTCGVITBMQ-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC(OCc2ccccc2)CC1 ZINC000821731828 1441462917 /nfs/dbraw/zinc/46/29/17/1441462917.db2.gz HGHFHTCGVITBMQ-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCCO1 ZINC000824985085 1441566148 /nfs/dbraw/zinc/56/61/48/1441566148.db2.gz RDUKYGQFECYLHA-MRXNPFEDSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCO1 ZINC000824985085 1441566151 /nfs/dbraw/zinc/56/61/51/1441566151.db2.gz RDUKYGQFECYLHA-MRXNPFEDSA-N -1 3 379.464 3.057 20 0 GGADHM CN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@H]1CCCO1 ZINC000825981750 1441583743 /nfs/dbraw/zinc/58/37/43/1441583743.db2.gz XLQJBCAFZSZQCX-LJQANCHMSA-N -1 3 379.464 3.057 20 0 GGADHM CN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCCO1 ZINC000825981750 1441583747 /nfs/dbraw/zinc/58/37/47/1441583747.db2.gz XLQJBCAFZSZQCX-LJQANCHMSA-N -1 3 379.464 3.057 20 0 GGADHM OCCCN(Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCCc2ccccc21 ZINC000823718454 1441605544 /nfs/dbraw/zinc/60/55/44/1441605544.db2.gz USPNIGYVGKMQAN-FQEVSTJZSA-N -1 3 381.455 3.268 20 0 GGADHM OCCCN(Cc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCCc2ccccc21 ZINC000823718454 1441605547 /nfs/dbraw/zinc/60/55/47/1441605547.db2.gz USPNIGYVGKMQAN-FQEVSTJZSA-N -1 3 381.455 3.268 20 0 GGADHM CC(C)C[C@@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824235291 1441611005 /nfs/dbraw/zinc/61/10/05/1441611005.db2.gz FDPPCIIWHAJOIC-LJQANCHMSA-N -1 3 399.520 3.017 20 0 GGADHM CC(C)C[C@@H](NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824235291 1441611007 /nfs/dbraw/zinc/61/10/07/1441611007.db2.gz FDPPCIIWHAJOIC-LJQANCHMSA-N -1 3 399.520 3.017 20 0 GGADHM COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821693682 1441616733 /nfs/dbraw/zinc/61/67/33/1441616733.db2.gz JGGZDBODMJIJJL-HUUCEWRRSA-N -1 3 397.479 3.312 20 0 GGADHM COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821693682 1441616737 /nfs/dbraw/zinc/61/67/37/1441616737.db2.gz JGGZDBODMJIJJL-HUUCEWRRSA-N -1 3 397.479 3.312 20 0 GGADHM COCCSc1ccc([C@H](C)NCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000826163035 1441634154 /nfs/dbraw/zinc/63/41/54/1441634154.db2.gz DFBRYYAKTDRXDV-AWEZNQCLSA-N -1 3 399.520 3.465 20 0 GGADHM COc1cccc(C=C2CCN(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821863525 1441659635 /nfs/dbraw/zinc/65/96/35/1441659635.db2.gz MORLDGYPXAZOIK-OAQYLSRUSA-N -1 3 391.475 3.088 20 0 GGADHM COc1cccc(C=C2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821863525 1441659639 /nfs/dbraw/zinc/65/96/39/1441659639.db2.gz MORLDGYPXAZOIK-OAQYLSRUSA-N -1 3 391.475 3.088 20 0 GGADHM c1ccc(C[C@H]2CCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000823781045 1441662265 /nfs/dbraw/zinc/66/22/65/1441662265.db2.gz ZSJZPTIWBYWBPJ-GOSISDBHSA-N -1 3 387.447 3.124 20 0 GGADHM c1ccc(C[C@H]2CCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823781045 1441662267 /nfs/dbraw/zinc/66/22/67/1441662267.db2.gz ZSJZPTIWBYWBPJ-GOSISDBHSA-N -1 3 387.447 3.124 20 0 GGADHM O=C(C[C@@H]1CCCN1CCOc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000822946397 1441692986 /nfs/dbraw/zinc/69/29/86/1441692986.db2.gz XEFYCPQCBOMCKK-AWEZNQCLSA-N -1 3 383.477 3.044 20 0 GGADHM O=C(C[C@@H]1CCCN1CCOc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000822946397 1441692988 /nfs/dbraw/zinc/69/29/88/1441692988.db2.gz XEFYCPQCBOMCKK-AWEZNQCLSA-N -1 3 383.477 3.044 20 0 GGADHM CC[C@H](C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825059568 1441706958 /nfs/dbraw/zinc/70/69/58/1441706958.db2.gz HANJDSDLENQNKA-NWDGAFQWSA-N -1 3 376.530 3.112 20 0 GGADHM CC[C@H](C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825059568 1441706964 /nfs/dbraw/zinc/70/69/64/1441706964.db2.gz HANJDSDLENQNKA-NWDGAFQWSA-N -1 3 376.530 3.112 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826505788 1441711850 /nfs/dbraw/zinc/71/18/50/1441711850.db2.gz FNOKNAVHGXVMSC-NVXWUHKLSA-N -1 3 389.381 3.193 20 0 GGADHM O=C1[C@@H](N[C@@H]2CCCc3ccccc32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476079 1441733794 /nfs/dbraw/zinc/73/37/94/1441733794.db2.gz AGZCBXORLXSTEV-UXHICEINSA-N -1 3 388.475 3.029 20 0 GGADHM O=C1[C@@H](N[C@@H]2CCCc3ccccc32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476079 1441733801 /nfs/dbraw/zinc/73/38/01/1441733801.db2.gz AGZCBXORLXSTEV-UXHICEINSA-N -1 3 388.475 3.029 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc2c1OCCCO2 ZINC000824293173 1441824485 /nfs/dbraw/zinc/82/44/85/1441824485.db2.gz HHEITPULHBPGFH-UHFFFAOYSA-N -1 3 379.464 3.439 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000826408424 1441870498 /nfs/dbraw/zinc/87/04/98/1441870498.db2.gz FQPNEMUUDAXOQH-HXUWFJFHSA-N -1 3 391.475 3.007 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000826408424 1441870501 /nfs/dbraw/zinc/87/05/01/1441870501.db2.gz FQPNEMUUDAXOQH-HXUWFJFHSA-N -1 3 391.475 3.007 20 0 GGADHM Cc1cc2oc(=O)cc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2cc1C ZINC000822212901 1441886713 /nfs/dbraw/zinc/88/67/13/1441886713.db2.gz MBKXWFQAALOKSD-AWEZNQCLSA-N -1 3 375.432 3.441 20 0 GGADHM Cc1cc2oc(=O)cc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2cc1C ZINC000822212901 1441886719 /nfs/dbraw/zinc/88/67/19/1441886719.db2.gz MBKXWFQAALOKSD-AWEZNQCLSA-N -1 3 375.432 3.441 20 0 GGADHM COCCOc1ccccc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826163104 1441904840 /nfs/dbraw/zinc/90/48/40/1441904840.db2.gz GUGPNGJTKIJJLR-UHFFFAOYSA-N -1 3 391.475 3.181 20 0 GGADHM CCCN1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736480249 1441916148 /nfs/dbraw/zinc/91/61/48/1441916148.db2.gz IYJJKFRRZHIDPD-LJQANCHMSA-N -1 3 392.463 3.472 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820684385 1441985601 /nfs/dbraw/zinc/98/56/01/1441985601.db2.gz OVNGRJQZFDLISE-HUUCEWRRSA-N -1 3 392.463 3.470 20 0 GGADHM CC[C@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736322733 1441986797 /nfs/dbraw/zinc/98/67/97/1441986797.db2.gz OLOZABYUWAGMNQ-AWEZNQCLSA-N -1 3 395.511 3.002 20 0 GGADHM CC[C@H](C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccccc1 ZINC000736322733 1441986799 /nfs/dbraw/zinc/98/67/99/1441986799.db2.gz OLOZABYUWAGMNQ-AWEZNQCLSA-N -1 3 395.511 3.002 20 0 GGADHM O[C@@H](CNCc1ccccc1OC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823690853 1441993139 /nfs/dbraw/zinc/99/31/39/1441993139.db2.gz WEVGUWMHYUWOKF-IBGZPJMESA-N -1 3 379.464 3.011 20 0 GGADHM O[C@@H](CNCc1ccccc1OC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823690853 1441993140 /nfs/dbraw/zinc/99/31/40/1441993140.db2.gz WEVGUWMHYUWOKF-IBGZPJMESA-N -1 3 379.464 3.011 20 0 GGADHM Cn1cc(CN2CC=C(C(C)(C)C)CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360354 1441998851 /nfs/dbraw/zinc/99/88/51/1441998851.db2.gz HRMMXMWTFRMPEH-UHFFFAOYSA-N -1 3 377.496 3.445 20 0 GGADHM Cn1cc(CN2CC=C(C(C)(C)C)CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360354 1441998853 /nfs/dbraw/zinc/99/88/53/1441998853.db2.gz HRMMXMWTFRMPEH-UHFFFAOYSA-N -1 3 377.496 3.445 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC(c2cnc[nH]2)CC1 ZINC000823493167 1442002328 /nfs/dbraw/zinc/00/23/28/1442002328.db2.gz GSCZMRNMELXGEA-UHFFFAOYSA-N -1 3 399.458 3.277 20 0 GGADHM Cc1cc(C)cc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826264474 1442045787 /nfs/dbraw/zinc/04/57/87/1442045787.db2.gz PTMLGHFSPTWUKR-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1cc(C)cc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826264474 1442045791 /nfs/dbraw/zinc/04/57/91/1442045791.db2.gz PTMLGHFSPTWUKR-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM C[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820426801 1442061732 /nfs/dbraw/zinc/06/17/32/1442061732.db2.gz NTOQGENWTZRKTD-LLVKDONJSA-N -1 3 383.481 3.063 20 0 GGADHM C[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820426801 1442061737 /nfs/dbraw/zinc/06/17/37/1442061737.db2.gz NTOQGENWTZRKTD-LLVKDONJSA-N -1 3 383.481 3.063 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000821702270 1442072777 /nfs/dbraw/zinc/07/27/77/1442072777.db2.gz NWKLBRYAMDVKLF-KDOFPFPSSA-N -1 3 397.454 3.476 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000821702270 1442072779 /nfs/dbraw/zinc/07/27/79/1442072779.db2.gz NWKLBRYAMDVKLF-KDOFPFPSSA-N -1 3 397.454 3.476 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@H](c1ccsc1)N(C)C ZINC000737261873 1442077401 /nfs/dbraw/zinc/07/74/01/1442077401.db2.gz BPPIOLZVAWCICQ-MRXNPFEDSA-N -1 3 397.483 3.061 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@H](c1ccsc1)N(C)C ZINC000737261873 1442077403 /nfs/dbraw/zinc/07/74/03/1442077403.db2.gz BPPIOLZVAWCICQ-MRXNPFEDSA-N -1 3 397.483 3.061 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824563172 1442082083 /nfs/dbraw/zinc/08/20/83/1442082083.db2.gz MWMDRTPTOWCWGB-SNVBAGLBSA-N -1 3 391.262 3.463 20 0 GGADHM Clc1ccccc1OC1CCN(CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826353319 1442120782 /nfs/dbraw/zinc/12/07/82/1442120782.db2.gz KHFKJXIMUCGRFY-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM Clc1ccccc1OC1CCN(CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826353319 1442120787 /nfs/dbraw/zinc/12/07/87/1442120787.db2.gz KHFKJXIMUCGRFY-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826412305 1442123467 /nfs/dbraw/zinc/12/34/67/1442123467.db2.gz JPVPYPSEGKQVSR-HXUWFJFHSA-N -1 3 390.491 3.004 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826412305 1442123470 /nfs/dbraw/zinc/12/34/70/1442123470.db2.gz JPVPYPSEGKQVSR-HXUWFJFHSA-N -1 3 390.491 3.004 20 0 GGADHM CC[C@@H](C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825059570 1442165722 /nfs/dbraw/zinc/16/57/22/1442165722.db2.gz HANJDSDLENQNKA-VXGBXAGGSA-N -1 3 376.530 3.112 20 0 GGADHM CC[C@@H](C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825059570 1442165725 /nfs/dbraw/zinc/16/57/25/1442165725.db2.gz HANJDSDLENQNKA-VXGBXAGGSA-N -1 3 376.530 3.112 20 0 GGADHM COc1ccccc1[C@H]1CCCN1CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737031278 1442173717 /nfs/dbraw/zinc/17/37/17/1442173717.db2.gz DPDGYEBAIBJUCD-QGZVFWFLSA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccccc1[C@H]1CCCN1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737031278 1442173723 /nfs/dbraw/zinc/17/37/23/1442173723.db2.gz DPDGYEBAIBJUCD-QGZVFWFLSA-N -1 3 395.463 3.100 20 0 GGADHM CCN1CCN(Cc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000825459841 1442173726 /nfs/dbraw/zinc/17/37/26/1442173726.db2.gz ORYJXNLTTNKSTJ-KRWDZBQOSA-N -1 3 391.523 3.177 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824562025 1442184514 /nfs/dbraw/zinc/18/45/14/1442184514.db2.gz BEYAAXHDTBGKPJ-SNVBAGLBSA-N -1 3 391.262 3.463 20 0 GGADHM COc1ccc([C@H]2CCCN2Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000826190171 1442239365 /nfs/dbraw/zinc/23/93/65/1442239365.db2.gz RXAGXVQPEYSUKY-QGZVFWFLSA-N -1 3 395.463 3.230 20 0 GGADHM COc1ccc([C@H]2CCCN2Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000826190171 1442239370 /nfs/dbraw/zinc/23/93/70/1442239370.db2.gz RXAGXVQPEYSUKY-QGZVFWFLSA-N -1 3 395.463 3.230 20 0 GGADHM c1cnn(-c2cccc(CN3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2)c1 ZINC000823868211 1442262014 /nfs/dbraw/zinc/26/20/14/1442262014.db2.gz REJVFNLYADPVRX-UHFFFAOYSA-N -1 3 383.459 3.342 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000737202796 1442263178 /nfs/dbraw/zinc/26/31/78/1442263178.db2.gz OAGINIVEKBOVQJ-KRWDZBQOSA-N -1 3 397.527 3.213 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC000737202796 1442263184 /nfs/dbraw/zinc/26/31/84/1442263184.db2.gz OAGINIVEKBOVQJ-KRWDZBQOSA-N -1 3 397.527 3.213 20 0 GGADHM C[C@@H](CCc1ccccc1)N1CCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735994560 1442283524 /nfs/dbraw/zinc/28/35/24/1442283524.db2.gz ZURWZEUUMLHCAZ-INIZCTEOSA-N -1 3 380.471 3.149 20 0 GGADHM C[C@@H](CCc1ccccc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735994560 1442283528 /nfs/dbraw/zinc/28/35/28/1442283528.db2.gz ZURWZEUUMLHCAZ-INIZCTEOSA-N -1 3 380.471 3.149 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000737247135 1442368272 /nfs/dbraw/zinc/36/82/72/1442368272.db2.gz ZHULRXNQPKDPOL-OAHLLOKOSA-N -1 3 380.427 3.117 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000737247135 1442368277 /nfs/dbraw/zinc/36/82/77/1442368277.db2.gz ZHULRXNQPKDPOL-OAHLLOKOSA-N -1 3 380.427 3.117 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737638274 1442387463 /nfs/dbraw/zinc/38/74/63/1442387463.db2.gz FNOTVWNZLMTLQJ-LBPRGKRZSA-N -1 3 395.364 3.127 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737638274 1442387469 /nfs/dbraw/zinc/38/74/69/1442387469.db2.gz FNOTVWNZLMTLQJ-LBPRGKRZSA-N -1 3 395.364 3.127 20 0 GGADHM CCN(CC)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000736534826 1442391107 /nfs/dbraw/zinc/39/11/07/1442391107.db2.gz RRTFJJJDRVDETP-LBPRGKRZSA-N -1 3 395.389 3.369 20 0 GGADHM CCN(CC)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000736534826 1442391109 /nfs/dbraw/zinc/39/11/09/1442391109.db2.gz RRTFJJJDRVDETP-LBPRGKRZSA-N -1 3 395.389 3.369 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000824625855 1442486028 /nfs/dbraw/zinc/48/60/28/1442486028.db2.gz LHFHNDDVMZNFKZ-OAHLLOKOSA-N -1 3 387.447 3.087 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000824625855 1442486032 /nfs/dbraw/zinc/48/60/32/1442486032.db2.gz LHFHNDDVMZNFKZ-OAHLLOKOSA-N -1 3 387.447 3.087 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507315 1442486880 /nfs/dbraw/zinc/48/68/80/1442486880.db2.gz WJLBPYNAOKLIEM-TZMCWYRMSA-N -1 3 392.529 3.196 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824507315 1442486883 /nfs/dbraw/zinc/48/68/83/1442486883.db2.gz WJLBPYNAOKLIEM-TZMCWYRMSA-N -1 3 392.529 3.196 20 0 GGADHM CS[C@H]1CCCCN(Cc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826227147 1443099761 /nfs/dbraw/zinc/09/97/61/1443099761.db2.gz MPXPFRGUFPFSQG-ZDUSSCGKSA-N -1 3 382.331 3.347 20 0 GGADHM CS[C@H]1CCCCN(Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826227147 1443099764 /nfs/dbraw/zinc/09/97/64/1443099764.db2.gz MPXPFRGUFPFSQG-ZDUSSCGKSA-N -1 3 382.331 3.347 20 0 GGADHM C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627596 1443110141 /nfs/dbraw/zinc/11/01/41/1443110141.db2.gz ZMZXVPOXEYWZBM-ZDUSSCGKSA-N -1 3 377.427 3.257 20 0 GGADHM C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627596 1443110144 /nfs/dbraw/zinc/11/01/44/1443110144.db2.gz ZMZXVPOXEYWZBM-ZDUSSCGKSA-N -1 3 377.427 3.257 20 0 GGADHM Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccc(-c5nn[n-]n5)cc4)C[C@H]3O2)sc1C ZINC001139090167 1443128460 /nfs/dbraw/zinc/12/84/60/1443128460.db2.gz BLRHQDVRQOHREO-RCCFBDPRSA-N -1 3 396.520 3.292 20 0 GGADHM C[C@@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824592235 1443208261 /nfs/dbraw/zinc/20/82/61/1443208261.db2.gz KSIBMDUGLGUADD-GFCCVEGCSA-N -1 3 390.463 3.056 20 0 GGADHM C[C@@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824592235 1443208262 /nfs/dbraw/zinc/20/82/62/1443208262.db2.gz KSIBMDUGLGUADD-GFCCVEGCSA-N -1 3 390.463 3.056 20 0 GGADHM C[C@@H](NCC(=O)Nc1cccc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824562677 1443209378 /nfs/dbraw/zinc/20/93/78/1443209378.db2.gz IHDZTINKNONCBK-SNVBAGLBSA-N -1 3 391.262 3.463 20 0 GGADHM Fc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2nn[n-]n2)c1 ZINC000826374930 1443236584 /nfs/dbraw/zinc/23/65/84/1443236584.db2.gz SFENGRFEXXWBJH-CYBMUJFWSA-N -1 3 395.364 3.058 20 0 GGADHM CC[C@H]1CCCN1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000736402932 1443262340 /nfs/dbraw/zinc/26/23/40/1443262340.db2.gz QNHILAPLUPVYFR-HNNXBMFYSA-N -1 3 385.516 3.213 20 0 GGADHM CC[C@H]1CCCN1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000736402932 1443262344 /nfs/dbraw/zinc/26/23/44/1443262344.db2.gz QNHILAPLUPVYFR-HNNXBMFYSA-N -1 3 385.516 3.213 20 0 GGADHM CC[C@](C)(NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000825044965 1443318952 /nfs/dbraw/zinc/31/89/52/1443318952.db2.gz WWSRBKMYJRFOQV-IBGZPJMESA-N -1 3 384.871 3.374 20 0 GGADHM CC[C@](C)(NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000825044965 1443318954 /nfs/dbraw/zinc/31/89/54/1443318954.db2.gz WWSRBKMYJRFOQV-IBGZPJMESA-N -1 3 384.871 3.374 20 0 GGADHM CCN(Cc1ccc(N2CCCC2)nc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435143 1443427799 /nfs/dbraw/zinc/42/77/99/1443427799.db2.gz NHOZYIWQOXCMRL-INIZCTEOSA-N -1 3 377.496 3.445 20 0 GGADHM CCN(Cc1ccc(N2CCCC2)nc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435143 1443427801 /nfs/dbraw/zinc/42/78/01/1443427801.db2.gz NHOZYIWQOXCMRL-INIZCTEOSA-N -1 3 377.496 3.445 20 0 GGADHM CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819899537 1443435997 /nfs/dbraw/zinc/43/59/97/1443435997.db2.gz WHNNGQWDPTZQAJ-SFHVURJKSA-N -1 3 399.520 3.017 20 0 GGADHM CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819899537 1443435998 /nfs/dbraw/zinc/43/59/98/1443435998.db2.gz WHNNGQWDPTZQAJ-SFHVURJKSA-N -1 3 399.520 3.017 20 0 GGADHM Cc1cccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826296368 1443465649 /nfs/dbraw/zinc/46/56/49/1443465649.db2.gz UCDBYYSLHFLVFH-BEFAXECRSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1cccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826296368 1443465651 /nfs/dbraw/zinc/46/56/51/1443465651.db2.gz UCDBYYSLHFLVFH-BEFAXECRSA-N -1 3 376.464 3.021 20 0 GGADHM COc1cc(CN2CCCCC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737045828 1443496468 /nfs/dbraw/zinc/49/64/68/1443496468.db2.gz ORJJUHQWUFUIHE-UHFFFAOYSA-N -1 3 379.464 3.440 20 0 GGADHM COc1cc(CN2CCCCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737045828 1443496470 /nfs/dbraw/zinc/49/64/70/1443496470.db2.gz ORJJUHQWUFUIHE-UHFFFAOYSA-N -1 3 379.464 3.440 20 0 GGADHM C[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)N1CCc2sccc2C1 ZINC000820280415 1443524157 /nfs/dbraw/zinc/52/41/57/1443524157.db2.gz FLEZGBGFBAKZQE-ZDUSSCGKSA-N -1 3 391.504 3.335 20 0 GGADHM C[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)N1CCc2sccc2C1 ZINC000820280415 1443524160 /nfs/dbraw/zinc/52/41/60/1443524160.db2.gz FLEZGBGFBAKZQE-ZDUSSCGKSA-N -1 3 391.504 3.335 20 0 GGADHM CN(CCc1ccc(Br)cc1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736804758 1443563884 /nfs/dbraw/zinc/56/38/84/1443563884.db2.gz UIOWKHROVRFAMZ-UHFFFAOYSA-N -1 3 390.260 3.443 20 0 GGADHM CN(CCc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736804758 1443563888 /nfs/dbraw/zinc/56/38/88/1443563888.db2.gz UIOWKHROVRFAMZ-UHFFFAOYSA-N -1 3 390.260 3.443 20 0 GGADHM OCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1-c1nn[n-]n1 ZINC000826509768 1443621456 /nfs/dbraw/zinc/62/14/56/1443621456.db2.gz JGXDZNWIMZRDNG-UHFFFAOYSA-N -1 3 378.263 3.168 20 0 GGADHM OCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1-c1nnn[n-]1 ZINC000826509768 1443621459 /nfs/dbraw/zinc/62/14/59/1443621459.db2.gz JGXDZNWIMZRDNG-UHFFFAOYSA-N -1 3 378.263 3.168 20 0 GGADHM O=C(CNC1(c2ccc(F)cc2)CCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737891373 1443647548 /nfs/dbraw/zinc/64/75/48/1443647548.db2.gz KGHYPLAJGCNFFE-UHFFFAOYSA-N -1 3 380.427 3.003 20 0 GGADHM O=C(CNC1(c2ccc(F)cc2)CCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737891373 1443647552 /nfs/dbraw/zinc/64/75/52/1443647552.db2.gz KGHYPLAJGCNFFE-UHFFFAOYSA-N -1 3 380.427 3.003 20 0 GGADHM CC[C@@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000825139694 1443648307 /nfs/dbraw/zinc/64/83/07/1443648307.db2.gz GYWCWMQJTBYRAH-QGZVFWFLSA-N -1 3 377.448 3.368 20 0 GGADHM CC[C@@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000825139694 1443648312 /nfs/dbraw/zinc/64/83/12/1443648312.db2.gz GYWCWMQJTBYRAH-QGZVFWFLSA-N -1 3 377.448 3.368 20 0 GGADHM c1ccc(C(c2ccccc2)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000738428955 1443655326 /nfs/dbraw/zinc/65/53/26/1443655326.db2.gz QHTPJNWPSMISBM-UHFFFAOYSA-N -1 3 397.486 3.173 20 0 GGADHM c1ccc(C(c2ccccc2)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000738428955 1443655327 /nfs/dbraw/zinc/65/53/27/1443655327.db2.gz QHTPJNWPSMISBM-UHFFFAOYSA-N -1 3 397.486 3.173 20 0 GGADHM C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824963214 1443664024 /nfs/dbraw/zinc/66/40/24/1443664024.db2.gz ZPIHXDGQXOWUSM-HNNXBMFYSA-N -1 3 395.486 3.488 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1C ZINC000822299666 1443686927 /nfs/dbraw/zinc/68/69/27/1443686927.db2.gz QLINGEPOZJXONY-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1C ZINC000822299666 1443686931 /nfs/dbraw/zinc/68/69/31/1443686931.db2.gz QLINGEPOZJXONY-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM Cc1csc(C2(NCCCOc3ccc(-c4nn[n-]n4)cc3)CCCC2)n1 ZINC000822409603 1443689304 /nfs/dbraw/zinc/68/93/04/1443689304.db2.gz SUQKTJXXBVHUPF-UHFFFAOYSA-N -1 3 384.509 3.460 20 0 GGADHM Cc1csc(C2(NCCCOc3ccc(-c4nnn[n-]4)cc3)CCCC2)n1 ZINC000822409603 1443689306 /nfs/dbraw/zinc/68/93/06/1443689306.db2.gz SUQKTJXXBVHUPF-UHFFFAOYSA-N -1 3 384.509 3.460 20 0 GGADHM Cc1cc(C)cc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826264631 1443691659 /nfs/dbraw/zinc/69/16/59/1443691659.db2.gz UVGDHUSCMYNGRT-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1cc(C)cc([C@@H](C)NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826264631 1443691663 /nfs/dbraw/zinc/69/16/63/1443691663.db2.gz UVGDHUSCMYNGRT-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820875498 1443732137 /nfs/dbraw/zinc/73/21/37/1443732137.db2.gz BLBXAXAMUCXSRD-LSDHHAIUSA-N -1 3 378.480 3.246 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C(C)C)C(C)C)c1-c1nn[n-]n1 ZINC000826233519 1443804071 /nfs/dbraw/zinc/80/40/71/1443804071.db2.gz KWOQZRJWQFSBAM-UHFFFAOYSA-N -1 3 387.532 3.457 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C(C)C)C(C)C)c1-c1nnn[n-]1 ZINC000826233519 1443804074 /nfs/dbraw/zinc/80/40/74/1443804074.db2.gz KWOQZRJWQFSBAM-UHFFFAOYSA-N -1 3 387.532 3.457 20 0 GGADHM CC[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000825038702 1443811263 /nfs/dbraw/zinc/81/12/63/1443811263.db2.gz GKLVNGGOCRDPCC-KUHUBIRLSA-N -1 3 378.480 3.051 20 0 GGADHM CC[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000825038702 1443811266 /nfs/dbraw/zinc/81/12/66/1443811266.db2.gz GKLVNGGOCRDPCC-KUHUBIRLSA-N -1 3 378.480 3.051 20 0 GGADHM Cc1ccccc1CN1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826307686 1443814856 /nfs/dbraw/zinc/81/48/56/1443814856.db2.gz SGWNRPDLJKYBCF-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1ccccc1CN1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826307686 1443814860 /nfs/dbraw/zinc/81/48/60/1443814860.db2.gz SGWNRPDLJKYBCF-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM COc1ccc([C@@H](C)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826187845 1443835543 /nfs/dbraw/zinc/83/55/43/1443835543.db2.gz GOBZYDALABFLIP-YWZLYKJASA-N -1 3 379.464 3.052 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826282940 1443881029 /nfs/dbraw/zinc/88/10/29/1443881029.db2.gz GTMJZJAJXWEMMW-BEFAXECRSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826282940 1443881031 /nfs/dbraw/zinc/88/10/31/1443881031.db2.gz GTMJZJAJXWEMMW-BEFAXECRSA-N -1 3 376.464 3.021 20 0 GGADHM CC[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820987653 1443888735 /nfs/dbraw/zinc/88/87/35/1443888735.db2.gz ALZPMPXQWXQGPC-STQMWFEESA-N -1 3 388.541 3.256 20 0 GGADHM c1cc([C@@H]2CCCN2CCCOc2ccc(-c3nnn[n-]3)cc2)cc2c1OCO2 ZINC000738413368 1443921432 /nfs/dbraw/zinc/92/14/32/1443921432.db2.gz UKASWXSKVUFFDW-SFHVURJKSA-N -1 3 393.447 3.201 20 0 GGADHM Cc1ccc(CNCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826288814 1443929581 /nfs/dbraw/zinc/92/95/81/1443929581.db2.gz XSMPEOWGKWMPQK-UHFFFAOYSA-N -1 3 377.427 3.005 20 0 GGADHM Cc1ccc(CNCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826288814 1443929584 /nfs/dbraw/zinc/92/95/84/1443929584.db2.gz XSMPEOWGKWMPQK-UHFFFAOYSA-N -1 3 377.427 3.005 20 0 GGADHM O=C(CCN1CCC[C@H]1c1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737845235 1443932387 /nfs/dbraw/zinc/93/23/87/1443932387.db2.gz YHMWTLLNQRRGAC-ZDUSSCGKSA-N -1 3 398.492 3.176 20 0 GGADHM O=C(CCN1CCC[C@H]1c1ccco1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737845235 1443932389 /nfs/dbraw/zinc/93/23/89/1443932389.db2.gz YHMWTLLNQRRGAC-ZDUSSCGKSA-N -1 3 398.492 3.176 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532446 1443940531 /nfs/dbraw/zinc/94/05/31/1443940531.db2.gz UIYVKAMNLOWUAJ-STQMWFEESA-N -1 3 396.426 3.374 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532446 1443940536 /nfs/dbraw/zinc/94/05/36/1443940536.db2.gz UIYVKAMNLOWUAJ-STQMWFEESA-N -1 3 396.426 3.374 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824898049 1443969889 /nfs/dbraw/zinc/96/98/89/1443969889.db2.gz CRDWIQUCEISGFO-JLBUNGTFSA-N -1 3 396.882 3.446 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824898049 1443969890 /nfs/dbraw/zinc/96/98/90/1443969890.db2.gz CRDWIQUCEISGFO-JLBUNGTFSA-N -1 3 396.882 3.446 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826232136 1443971715 /nfs/dbraw/zinc/97/17/15/1443971715.db2.gz RDHGGGJHPCAZKE-MRXNPFEDSA-N -1 3 385.475 3.126 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826232136 1443971717 /nfs/dbraw/zinc/97/17/17/1443971717.db2.gz RDHGGGJHPCAZKE-MRXNPFEDSA-N -1 3 385.475 3.126 20 0 GGADHM O=C1[C@H](N[C@@H](c2ccccc2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476954 1444037174 /nfs/dbraw/zinc/03/71/74/1444037174.db2.gz SIVVTSUQVBWGCR-UXHICEINSA-N -1 3 388.475 3.103 20 0 GGADHM COc1ccc2[nH]cc(C3=CCN(Cc4ccnc(-c5nn[n-]n5)c4)CC3)c2c1 ZINC000826212119 1446127680 /nfs/dbraw/zinc/12/76/80/1446127680.db2.gz HGYUSVLSTMRRRL-UHFFFAOYSA-N -1 3 387.447 3.041 20 0 GGADHM COc1ccc2[nH]cc(C3=CCN(Cc4ccnc(-c5nnn[n-]5)c4)CC3)c2c1 ZINC000826212119 1446127684 /nfs/dbraw/zinc/12/76/84/1446127684.db2.gz HGYUSVLSTMRRRL-UHFFFAOYSA-N -1 3 387.447 3.041 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826504654 1446140743 /nfs/dbraw/zinc/14/07/43/1446140743.db2.gz APOHGIWAOHPVDE-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826504654 1446140745 /nfs/dbraw/zinc/14/07/45/1446140745.db2.gz APOHGIWAOHPVDE-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000737244731 1446178091 /nfs/dbraw/zinc/17/80/91/1446178091.db2.gz KSPNGVIKGSGWTK-GOSISDBHSA-N -1 3 398.898 3.482 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000737244731 1446178094 /nfs/dbraw/zinc/17/80/94/1446178094.db2.gz KSPNGVIKGSGWTK-GOSISDBHSA-N -1 3 398.898 3.482 20 0 GGADHM CC(C)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297616 1446178102 /nfs/dbraw/zinc/17/81/02/1446178102.db2.gz XSKODUIOVQMWNL-IAGOWNOFSA-N -1 3 385.422 3.176 20 0 GGADHM Cc1cc(C)n2c(CN(Cc3ccc(-c4nn[n-]n4)cc3)CC(C)C)cnc2n1 ZINC000826265580 1446233131 /nfs/dbraw/zinc/23/31/31/1446233131.db2.gz FVXWZERKQXSVMK-UHFFFAOYSA-N -1 3 390.495 3.184 20 0 GGADHM Cc1cc(C)n2c(CN(Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)cnc2n1 ZINC000826265580 1446233134 /nfs/dbraw/zinc/23/31/34/1446233134.db2.gz FVXWZERKQXSVMK-UHFFFAOYSA-N -1 3 390.495 3.184 20 0 GGADHM COc1ccc(OC2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737108868 1446248264 /nfs/dbraw/zinc/24/82/64/1446248264.db2.gz DXYGAIGKLPUOHY-UHFFFAOYSA-N -1 3 383.427 3.058 20 0 GGADHM CC[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000825139193 1446252941 /nfs/dbraw/zinc/25/29/41/1446252941.db2.gz CVTCRUTTYJWQDM-RBUKOAKNSA-N -1 3 394.454 3.242 20 0 GGADHM CC[C@H](N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(F)cc1 ZINC000825139193 1446252945 /nfs/dbraw/zinc/25/29/45/1446252945.db2.gz CVTCRUTTYJWQDM-RBUKOAKNSA-N -1 3 394.454 3.242 20 0 GGADHM Cc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822228629 1446277377 /nfs/dbraw/zinc/27/73/77/1446277377.db2.gz ASURFFLOHKHBLE-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822228629 1446277380 /nfs/dbraw/zinc/27/73/80/1446277380.db2.gz ASURFFLOHKHBLE-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM O=C(CNC1(c2ccc(F)cc2)CCCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737892469 1446281808 /nfs/dbraw/zinc/28/18/08/1446281808.db2.gz UYNVTDVVDPASPJ-UHFFFAOYSA-N -1 3 386.456 3.065 20 0 GGADHM O=C(CNC1(c2ccc(F)cc2)CCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737892469 1446281810 /nfs/dbraw/zinc/28/18/10/1446281810.db2.gz UYNVTDVVDPASPJ-UHFFFAOYSA-N -1 3 386.456 3.065 20 0 GGADHM O=C1[C@@H](N[C@@H](c2ccccc2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476953 1446336709 /nfs/dbraw/zinc/33/67/09/1446336709.db2.gz SIVVTSUQVBWGCR-PMACEKPBSA-N -1 3 388.475 3.103 20 0 GGADHM CCOc1c(OC)cc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821388911 1446345012 /nfs/dbraw/zinc/34/50/12/1446345012.db2.gz AMFFPYWRWZOKSE-CYBMUJFWSA-N -1 3 383.452 3.133 20 0 GGADHM CCOc1c(OC)cc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821388911 1446345016 /nfs/dbraw/zinc/34/50/16/1446345016.db2.gz AMFFPYWRWZOKSE-CYBMUJFWSA-N -1 3 383.452 3.133 20 0 GGADHM CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192780 1446345057 /nfs/dbraw/zinc/34/50/57/1446345057.db2.gz ZFGQWGAWGPXRHS-OAHLLOKOSA-N -1 3 399.520 3.115 20 0 GGADHM CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820192780 1446345062 /nfs/dbraw/zinc/34/50/62/1446345062.db2.gz ZFGQWGAWGPXRHS-OAHLLOKOSA-N -1 3 399.520 3.115 20 0 GGADHM CCN(Cc1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821222370 1446347994 /nfs/dbraw/zinc/34/79/94/1446347994.db2.gz QDVIOUULCCNUPF-ZDUSSCGKSA-N -1 3 383.427 3.376 20 0 GGADHM CCN(Cc1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222370 1446348004 /nfs/dbraw/zinc/34/80/04/1446348004.db2.gz QDVIOUULCCNUPF-ZDUSSCGKSA-N -1 3 383.427 3.376 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000826284206 1446366564 /nfs/dbraw/zinc/36/65/64/1446366564.db2.gz NBJCOIOMNWATSY-YCRPNKLZSA-N -1 3 390.491 3.093 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000826284206 1446366569 /nfs/dbraw/zinc/36/65/69/1446366569.db2.gz NBJCOIOMNWATSY-YCRPNKLZSA-N -1 3 390.491 3.093 20 0 GGADHM Cc1cccc([C@@H](NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(C)(C)C)c1 ZINC000826296839 1446425636 /nfs/dbraw/zinc/42/56/36/1446425636.db2.gz KWYAKSAPDKBEGR-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1cccc([C@@H](NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(C)(C)C)c1 ZINC000826296839 1446425639 /nfs/dbraw/zinc/42/56/39/1446425639.db2.gz KWYAKSAPDKBEGR-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM C[C@@H](NCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC000824618681 1446427741 /nfs/dbraw/zinc/42/77/41/1446427741.db2.gz QXLVHFBOQRXPFV-CQSZACIVSA-N -1 3 375.436 3.020 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826412415 1446441499 /nfs/dbraw/zinc/44/14/99/1446441499.db2.gz NHRNISKQXGAURQ-FQEVSTJZSA-N -1 3 390.491 3.004 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826412415 1446441502 /nfs/dbraw/zinc/44/15/02/1446441502.db2.gz NHRNISKQXGAURQ-FQEVSTJZSA-N -1 3 390.491 3.004 20 0 GGADHM CCc1ccc(CNCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825712083 1446447187 /nfs/dbraw/zinc/44/71/87/1446447187.db2.gz JUCLYYQFPCKUQD-UHFFFAOYSA-N -1 3 379.493 3.181 20 0 GGADHM C[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824553593 1446453053 /nfs/dbraw/zinc/45/30/53/1446453053.db2.gz DCWLWFKLWISRQJ-INIZCTEOSA-N -1 3 392.507 3.345 20 0 GGADHM C[C@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000824562358 1446464670 /nfs/dbraw/zinc/46/46/70/1446464670.db2.gz GDLXSURUVGOSRZ-HNNXBMFYSA-N -1 3 399.458 3.218 20 0 GGADHM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738190181 1446469240 /nfs/dbraw/zinc/46/92/40/1446469240.db2.gz AUQCZNOCXJEBFQ-NRFANRHFSA-N -1 3 398.470 3.206 20 0 GGADHM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738190181 1446469241 /nfs/dbraw/zinc/46/92/41/1446469241.db2.gz AUQCZNOCXJEBFQ-NRFANRHFSA-N -1 3 398.470 3.206 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820414069 1446535358 /nfs/dbraw/zinc/53/53/58/1446535358.db2.gz WZISBAKGWFCLPI-ZIAGYGMSSA-N -1 3 387.447 3.093 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820414069 1446535362 /nfs/dbraw/zinc/53/53/62/1446535362.db2.gz WZISBAKGWFCLPI-ZIAGYGMSSA-N -1 3 387.447 3.093 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1cccc2ncccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820414066 1446548955 /nfs/dbraw/zinc/54/89/55/1446548955.db2.gz WZISBAKGWFCLPI-KGLIPLIRSA-N -1 3 387.447 3.093 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1cccc2ncccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820414066 1446548958 /nfs/dbraw/zinc/54/89/58/1446548958.db2.gz WZISBAKGWFCLPI-KGLIPLIRSA-N -1 3 387.447 3.093 20 0 GGADHM Cc1cc(CN[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1Cl ZINC000826266874 1446565468 /nfs/dbraw/zinc/56/54/68/1446565468.db2.gz FYEBHHHELMYDPL-SFHVURJKSA-N -1 3 396.882 3.114 20 0 GGADHM Cc1cc(CN[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1Cl ZINC000826266874 1446565474 /nfs/dbraw/zinc/56/54/74/1446565474.db2.gz FYEBHHHELMYDPL-SFHVURJKSA-N -1 3 396.882 3.114 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccsc1 ZINC000825406356 1446609270 /nfs/dbraw/zinc/60/92/70/1446609270.db2.gz LRRORKCPXXELDM-KRWDZBQOSA-N -1 3 384.509 3.050 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccsc1 ZINC000825406356 1446609275 /nfs/dbraw/zinc/60/92/75/1446609275.db2.gz LRRORKCPXXELDM-KRWDZBQOSA-N -1 3 384.509 3.050 20 0 GGADHM C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820431860 1446652342 /nfs/dbraw/zinc/65/23/42/1446652342.db2.gz IZNCLCXPMHIEPI-OAHLLOKOSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820431860 1446652345 /nfs/dbraw/zinc/65/23/45/1446652345.db2.gz IZNCLCXPMHIEPI-OAHLLOKOSA-N -1 3 399.458 3.365 20 0 GGADHM Clc1ccc(O[C@H]2CCN(Cc3ccnc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826352571 1446735065 /nfs/dbraw/zinc/73/50/65/1446735065.db2.gz GEGWFXLFKUXCIS-ZDUSSCGKSA-N -1 3 391.262 3.222 20 0 GGADHM COc1ccc(CNCc2ccnc(O[C@H](C)CC(C)C)c2)cc1-c1nn[n-]n1 ZINC000821818677 1446805399 /nfs/dbraw/zinc/80/53/99/1446805399.db2.gz XRKZXVRTQYNBLK-OAHLLOKOSA-N -1 3 396.495 3.374 20 0 GGADHM COc1ccc(CNCc2ccnc(O[C@H](C)CC(C)C)c2)cc1-c1nnn[n-]1 ZINC000821818677 1446805404 /nfs/dbraw/zinc/80/54/04/1446805404.db2.gz XRKZXVRTQYNBLK-OAHLLOKOSA-N -1 3 396.495 3.374 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC(OCc2ccccc2F)CC1 ZINC000826182178 1446807378 /nfs/dbraw/zinc/80/73/78/1446807378.db2.gz BXPVPLUQCZUIIL-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC(OCc2ccccc2F)CC1 ZINC000826182178 1446807382 /nfs/dbraw/zinc/80/73/82/1446807382.db2.gz BXPVPLUQCZUIIL-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM O=C1[C@@H](NCc2ccc3ccccc3c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476493 1446807539 /nfs/dbraw/zinc/80/75/39/1446807539.db2.gz IXBMZGFFEIQTFX-NRFANRHFSA-N -1 3 398.470 3.305 20 0 GGADHM O=C1[C@@H](NCc2ccc3ccccc3c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476493 1446807546 /nfs/dbraw/zinc/80/75/46/1446807546.db2.gz IXBMZGFFEIQTFX-NRFANRHFSA-N -1 3 398.470 3.305 20 0 GGADHM CCSc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674822 1446840573 /nfs/dbraw/zinc/84/05/73/1446840573.db2.gz SHRNMULTMQKNRV-ZDUSSCGKSA-N -1 3 382.493 3.268 20 0 GGADHM CO[C@@H]1CCCN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000826147383 1446861592 /nfs/dbraw/zinc/86/15/92/1446861592.db2.gz VVFZPWJYIVEEGS-HXUWFJFHSA-N -1 3 379.464 3.057 20 0 GGADHM CO[C@@H]1CCCN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826147383 1446861597 /nfs/dbraw/zinc/86/15/97/1446861597.db2.gz VVFZPWJYIVEEGS-HXUWFJFHSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000735560269 1446891860 /nfs/dbraw/zinc/89/18/60/1446891860.db2.gz DFCBLZOLXSEFNU-DZGCQCFKSA-N -1 3 396.882 3.337 20 0 GGADHM Cc1ccccc1[C@H](C)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826305857 1446909450 /nfs/dbraw/zinc/90/94/50/1446909450.db2.gz KBSBMZVWNXMXEE-HNAYVOBHSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccccc1[C@H](C)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826305857 1446909453 /nfs/dbraw/zinc/90/94/53/1446909453.db2.gz KBSBMZVWNXMXEE-HNAYVOBHSA-N -1 3 376.464 3.021 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232960 1446923987 /nfs/dbraw/zinc/92/39/87/1446923987.db2.gz DQNICBWLDUJAHQ-CKEIUWERSA-N -1 3 394.454 3.211 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232960 1446923988 /nfs/dbraw/zinc/92/39/88/1446923988.db2.gz DQNICBWLDUJAHQ-CKEIUWERSA-N -1 3 394.454 3.211 20 0 GGADHM c1c(CN2CCSC[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738429077 1446930883 /nfs/dbraw/zinc/93/08/83/1446930883.db2.gz SPSDAAPKQDBEOG-GOSISDBHSA-N -1 3 376.489 3.410 20 0 GGADHM c1c(CN2CCSC[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738429077 1446930886 /nfs/dbraw/zinc/93/08/86/1446930886.db2.gz SPSDAAPKQDBEOG-GOSISDBHSA-N -1 3 376.489 3.410 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000826276220 1446932126 /nfs/dbraw/zinc/93/21/26/1446932126.db2.gz XXDCRUSMFFQECE-QGZVFWFLSA-N -1 3 383.887 3.473 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000826276220 1446932130 /nfs/dbraw/zinc/93/21/30/1446932130.db2.gz XXDCRUSMFFQECE-QGZVFWFLSA-N -1 3 383.887 3.473 20 0 GGADHM COc1cc(CN2C[C@H]3CCC[C@H]32)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000821717001 1446940199 /nfs/dbraw/zinc/94/01/99/1446940199.db2.gz JFRMNXLOCKIZEM-RTBURBONSA-N -1 3 391.475 3.439 20 0 GGADHM COc1cc(CN2C[C@H]3CCC[C@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821717001 1446940201 /nfs/dbraw/zinc/94/02/01/1446940201.db2.gz JFRMNXLOCKIZEM-RTBURBONSA-N -1 3 391.475 3.439 20 0 GGADHM O=C(C[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826404934 1446953921 /nfs/dbraw/zinc/95/39/21/1446953921.db2.gz QJPDFWPRWMZGIX-KRWDZBQOSA-N -1 3 383.402 3.382 20 0 GGADHM O=C(C[C@@H]1CCCN1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826404934 1446953923 /nfs/dbraw/zinc/95/39/23/1446953923.db2.gz QJPDFWPRWMZGIX-KRWDZBQOSA-N -1 3 383.402 3.382 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](c2ccccc2C)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826305565 1446998456 /nfs/dbraw/zinc/99/84/56/1446998456.db2.gz BJZODIXCACKWBV-UGSOOPFHSA-N -1 3 394.479 3.453 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](c2ccccc2C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826305565 1446998459 /nfs/dbraw/zinc/99/84/59/1446998459.db2.gz BJZODIXCACKWBV-UGSOOPFHSA-N -1 3 394.479 3.453 20 0 GGADHM C[C@@H](NCc1ccnc(OCC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626093 1447001029 /nfs/dbraw/zinc/00/10/29/1447001029.db2.gz LVONPEQVYDQBKY-LLVKDONJSA-N -1 3 378.358 3.054 20 0 GGADHM C[C@@H](NCc1ccnc(OCC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824626093 1447001032 /nfs/dbraw/zinc/00/10/32/1447001032.db2.gz LVONPEQVYDQBKY-LLVKDONJSA-N -1 3 378.358 3.054 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000823674082 1447021223 /nfs/dbraw/zinc/02/12/23/1447021223.db2.gz PYKYXBJEXIYXOD-IBGZPJMESA-N -1 3 393.422 3.335 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000823674082 1447021229 /nfs/dbraw/zinc/02/12/29/1447021229.db2.gz PYKYXBJEXIYXOD-IBGZPJMESA-N -1 3 393.422 3.335 20 0 GGADHM COc1ccc(Br)cc1CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821769373 1447067722 /nfs/dbraw/zinc/06/77/22/1447067722.db2.gz HAELMBPTKKNHMU-NSHDSACASA-N -1 3 388.269 3.489 20 0 GGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761561 1447121509 /nfs/dbraw/zinc/12/15/09/1447121509.db2.gz BPVGLBTXHALRQT-SECBINFHSA-N -1 3 395.298 3.104 20 0 GGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761561 1447121513 /nfs/dbraw/zinc/12/15/13/1447121513.db2.gz BPVGLBTXHALRQT-SECBINFHSA-N -1 3 395.298 3.104 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000826168628 1447142483 /nfs/dbraw/zinc/14/24/83/1447142483.db2.gz TUZPSOGBDRXBEQ-HXUWFJFHSA-N -1 3 393.491 3.137 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000826168628 1447142486 /nfs/dbraw/zinc/14/24/86/1447142486.db2.gz TUZPSOGBDRXBEQ-HXUWFJFHSA-N -1 3 393.491 3.137 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737891409 1447159955 /nfs/dbraw/zinc/15/99/55/1447159955.db2.gz LJQWXICPZXYDBM-NRFANRHFSA-N -1 3 390.491 3.004 20 0 GGADHM CCOc1ccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736644465 1447165783 /nfs/dbraw/zinc/16/57/83/1447165783.db2.gz ZCYVZBQHCIUBGQ-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM CCOc1ccc(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736644465 1447165786 /nfs/dbraw/zinc/16/57/86/1447165786.db2.gz ZCYVZBQHCIUBGQ-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM Cc1cccc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826296317 1447230936 /nfs/dbraw/zinc/23/09/36/1447230936.db2.gz RMCVWGQIYBEORG-OXJNMPFZSA-N -1 3 390.491 3.330 20 0 GGADHM Cc1cccc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826296317 1447230940 /nfs/dbraw/zinc/23/09/40/1447230940.db2.gz RMCVWGQIYBEORG-OXJNMPFZSA-N -1 3 390.491 3.330 20 0 GGADHM COc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC(F)F ZINC000826201947 1447251028 /nfs/dbraw/zinc/25/10/28/1447251028.db2.gz IVTSZIVXXOQOBA-JTQLQIEISA-N -1 3 393.369 3.467 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2CCC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000737331602 1449037398 /nfs/dbraw/zinc/03/73/98/1449037398.db2.gz QAIMPWBIVDNOJZ-AWEZNQCLSA-N -1 3 386.481 3.385 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000737331602 1449037405 /nfs/dbraw/zinc/03/74/05/1449037405.db2.gz QAIMPWBIVDNOJZ-AWEZNQCLSA-N -1 3 386.481 3.385 20 0 GGADHM CC[C@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825043639 1449066757 /nfs/dbraw/zinc/06/67/57/1449066757.db2.gz IHTORWLUDSOXLC-IBGZPJMESA-N -1 3 384.509 3.399 20 0 GGADHM CC[C@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825043639 1449066762 /nfs/dbraw/zinc/06/67/62/1449066762.db2.gz IHTORWLUDSOXLC-IBGZPJMESA-N -1 3 384.509 3.399 20 0 GGADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820684413 1449098054 /nfs/dbraw/zinc/09/80/54/1449098054.db2.gz PHXZKMWYECMPSC-GASCZTMLSA-N -1 3 392.463 3.470 20 0 GGADHM CC(C)c1ccc(C(C)(C)NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735921991 1449099848 /nfs/dbraw/zinc/09/98/48/1449099848.db2.gz CUGDYOLIGPABRX-UHFFFAOYSA-N -1 3 392.507 3.131 20 0 GGADHM CC(C)c1ccc(C(C)(C)NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735921991 1449099855 /nfs/dbraw/zinc/09/98/55/1449099855.db2.gz CUGDYOLIGPABRX-UHFFFAOYSA-N -1 3 392.507 3.131 20 0 GGADHM Cc1nccn1CCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826331599 1449133673 /nfs/dbraw/zinc/13/36/73/1449133673.db2.gz PUKQCDCLALASQE-UHFFFAOYSA-N -1 3 391.454 3.213 20 0 GGADHM Cc1nccn1CCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000826331599 1449133676 /nfs/dbraw/zinc/13/36/76/1449133676.db2.gz PUKQCDCLALASQE-UHFFFAOYSA-N -1 3 391.454 3.213 20 0 GGADHM COC(=O)c1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000821669143 1449144628 /nfs/dbraw/zinc/14/46/28/1449144628.db2.gz ZLUGYOAPDIEYHF-UHFFFAOYSA-N -1 3 383.427 3.203 20 0 GGADHM COC(=O)c1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000821669143 1449144630 /nfs/dbraw/zinc/14/46/30/1449144630.db2.gz ZLUGYOAPDIEYHF-UHFFFAOYSA-N -1 3 383.427 3.203 20 0 GGADHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825669035 1449151049 /nfs/dbraw/zinc/15/10/49/1449151049.db2.gz OQAKTIQYDKOUBV-ZIAGYGMSSA-N -1 3 385.493 3.072 20 0 GGADHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825669035 1449151055 /nfs/dbraw/zinc/15/10/55/1449151055.db2.gz OQAKTIQYDKOUBV-ZIAGYGMSSA-N -1 3 385.493 3.072 20 0 GGADHM CCC(C)(C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000736315284 1449223694 /nfs/dbraw/zinc/22/36/94/1449223694.db2.gz RJXHAFIJLCCALZ-UHFFFAOYSA-N -1 3 387.532 3.459 20 0 GGADHM CCC(C)(C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000736315284 1449223700 /nfs/dbraw/zinc/22/37/00/1449223700.db2.gz RJXHAFIJLCCALZ-UHFFFAOYSA-N -1 3 387.532 3.459 20 0 GGADHM CN(C)[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(F)c1 ZINC000825849851 1449260222 /nfs/dbraw/zinc/26/02/22/1449260222.db2.gz NUVOODWRRCBWPC-SFHVURJKSA-N -1 3 377.427 3.269 20 0 GGADHM CN(C)[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(F)c1 ZINC000825849851 1449260228 /nfs/dbraw/zinc/26/02/28/1449260228.db2.gz NUVOODWRRCBWPC-SFHVURJKSA-N -1 3 377.427 3.269 20 0 GGADHM CCN(C(=O)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000825371808 1449262795 /nfs/dbraw/zinc/26/27/95/1449262795.db2.gz MJJCFKYTBXDQCZ-HUUCEWRRSA-N -1 3 396.470 3.266 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737890760 1449397606 /nfs/dbraw/zinc/39/76/06/1449397606.db2.gz DFJJSBUEDZAPJN-NRFANRHFSA-N -1 3 390.491 3.004 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825218055 1449398167 /nfs/dbraw/zinc/39/81/67/1449398167.db2.gz BEPINEGVFYIECM-GUYCJALGSA-N -1 3 396.520 3.115 20 0 GGADHM Brc1cccc(C2(NCc3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000819688874 1449429295 /nfs/dbraw/zinc/42/92/95/1449429295.db2.gz PSRDHTPZSWPJNB-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM Brc1cccc(C2(NCc3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000819688874 1449429298 /nfs/dbraw/zinc/42/92/98/1449429298.db2.gz PSRDHTPZSWPJNB-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826506229 1449430120 /nfs/dbraw/zinc/43/01/20/1449430120.db2.gz PFXYVQGSJJPMTA-DLBZAZTESA-N -1 3 389.381 3.193 20 0 GGADHM Cc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826305991 1449560091 /nfs/dbraw/zinc/56/00/91/1449560091.db2.gz NOVRBTUYAYDPOA-IFXJQAMLSA-N -1 3 376.464 3.243 20 0 GGADHM Cc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826305991 1449560095 /nfs/dbraw/zinc/56/00/95/1449560095.db2.gz NOVRBTUYAYDPOA-IFXJQAMLSA-N -1 3 376.464 3.243 20 0 GGADHM c1cc([C@H]2CCCN2CCCOc2ccc(-c3nnn[n-]3)cc2)cc2c1OCO2 ZINC000738413366 1449571836 /nfs/dbraw/zinc/57/18/36/1449571836.db2.gz UKASWXSKVUFFDW-GOSISDBHSA-N -1 3 393.447 3.201 20 0 GGADHM Cc1ccc2c(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc(=O)oc2c1C ZINC000822274848 1449626462 /nfs/dbraw/zinc/62/64/62/1449626462.db2.gz KNLRPDHGRFKJCS-CQSZACIVSA-N -1 3 375.432 3.441 20 0 GGADHM Cc1ccc2c(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2c1C ZINC000822274848 1449626469 /nfs/dbraw/zinc/62/64/69/1449626469.db2.gz KNLRPDHGRFKJCS-CQSZACIVSA-N -1 3 375.432 3.441 20 0 GGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000736198850 1449626442 /nfs/dbraw/zinc/62/64/42/1449626442.db2.gz VFOWHRAUFJUXMJ-CQSZACIVSA-N -1 3 377.448 3.228 20 0 GGADHM Fc1cc(N2CC[C@@H](NCc3ccc(-c4nn[n-]n4)cc3F)C2)ccc1Cl ZINC000826372828 1449702818 /nfs/dbraw/zinc/70/28/18/1449702818.db2.gz NGDDENHJZKKARA-CYBMUJFWSA-N -1 3 390.825 3.167 20 0 GGADHM Fc1cc(N2CC[C@@H](NCc3ccc(-c4nnn[n-]4)cc3F)C2)ccc1Cl ZINC000826372828 1449702823 /nfs/dbraw/zinc/70/28/23/1449702823.db2.gz NGDDENHJZKKARA-CYBMUJFWSA-N -1 3 390.825 3.167 20 0 GGADHM CN(C)[C@@H](CNc1ccc(Br)cc1-c1nn[n-]n1)c1ccsc1 ZINC000825850749 1449713185 /nfs/dbraw/zinc/71/31/85/1449713185.db2.gz RNPTYPSBFRSKHZ-AWEZNQCLSA-N -1 3 393.314 3.406 20 0 GGADHM CN(C)[C@@H](CNc1ccc(Br)cc1-c1nnn[n-]1)c1ccsc1 ZINC000825850749 1449713190 /nfs/dbraw/zinc/71/31/90/1449713190.db2.gz RNPTYPSBFRSKHZ-AWEZNQCLSA-N -1 3 393.314 3.406 20 0 GGADHM C[C@@](CO)(NCc1ccc(-c2nn[n-]n2)cc1Br)C1CCCCC1 ZINC000824433678 1449770017 /nfs/dbraw/zinc/77/00/17/1449770017.db2.gz GRPXJMXBGJLZLO-KRWDZBQOSA-N -1 3 394.317 3.050 20 0 GGADHM C[C@@](CO)(NCc1ccc(-c2nnn[n-]2)cc1Br)C1CCCCC1 ZINC000824433678 1449770020 /nfs/dbraw/zinc/77/00/20/1449770020.db2.gz GRPXJMXBGJLZLO-KRWDZBQOSA-N -1 3 394.317 3.050 20 0 GGADHM COc1ccc([C@H]2CCCN2CCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000737075443 1449831321 /nfs/dbraw/zinc/83/13/21/1449831321.db2.gz JXIFUZHWQRUKQH-GOSISDBHSA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccc([C@H]2CCCN2CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000737075443 1449831327 /nfs/dbraw/zinc/83/13/27/1449831327.db2.gz JXIFUZHWQRUKQH-GOSISDBHSA-N -1 3 395.463 3.100 20 0 GGADHM CCOc1cc(CNCc2cc(-c3nn[n-]n3)cs2)ccc1OC(F)F ZINC000821395315 1449876452 /nfs/dbraw/zinc/87/64/52/1449876452.db2.gz VXTSTOKVHYRKFL-UHFFFAOYSA-N -1 3 381.408 3.218 20 0 GGADHM CCOc1cc(CNCc2cc(-c3nnn[n-]3)cs2)ccc1OC(F)F ZINC000821395315 1449876459 /nfs/dbraw/zinc/87/64/59/1449876459.db2.gz VXTSTOKVHYRKFL-UHFFFAOYSA-N -1 3 381.408 3.218 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)(C)c1ccccc1 ZINC000824632967 1449886837 /nfs/dbraw/zinc/88/68/37/1449886837.db2.gz FVKSFVOXBFQGNG-AWEZNQCLSA-N -1 3 389.463 3.373 20 0 GGADHM C[C@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2c(c1)OCCCO2 ZINC000824536916 1449940102 /nfs/dbraw/zinc/94/01/02/1449940102.db2.gz AFBRCOYRVZIFKX-AWEZNQCLSA-N -1 3 377.448 3.368 20 0 GGADHM C[C@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2c(c1)OCCCO2 ZINC000824536916 1449940103 /nfs/dbraw/zinc/94/01/03/1449940103.db2.gz AFBRCOYRVZIFKX-AWEZNQCLSA-N -1 3 377.448 3.368 20 0 GGADHM CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000736758359 1449945334 /nfs/dbraw/zinc/94/53/34/1449945334.db2.gz GMDIQHIBCYBMAW-CYBMUJFWSA-N -1 3 395.364 3.134 20 0 GGADHM CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000736758359 1449945336 /nfs/dbraw/zinc/94/53/36/1449945336.db2.gz GMDIQHIBCYBMAW-CYBMUJFWSA-N -1 3 395.364 3.134 20 0 GGADHM FC(F)(F)c1csc([C@@H]2CCCN(Cc3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC000826368926 1449973512 /nfs/dbraw/zinc/97/35/12/1449973512.db2.gz GHDYPKZEFHEYBS-LLVKDONJSA-N -1 3 395.414 3.117 20 0 GGADHM FC(F)(F)c1csc([C@@H]2CCCN(Cc3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC000826368926 1449973519 /nfs/dbraw/zinc/97/35/19/1449973519.db2.gz GHDYPKZEFHEYBS-LLVKDONJSA-N -1 3 395.414 3.117 20 0 GGADHM CC(C)(C)C[C@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824087301 1450189698 /nfs/dbraw/zinc/18/96/98/1450189698.db2.gz SNTQJTKFAVLSML-IBGZPJMESA-N -1 3 392.507 3.250 20 0 GGADHM CC(C)(C)C[C@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824087301 1450189702 /nfs/dbraw/zinc/18/97/02/1450189702.db2.gz SNTQJTKFAVLSML-IBGZPJMESA-N -1 3 392.507 3.250 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000736697747 1450261687 /nfs/dbraw/zinc/26/16/87/1450261687.db2.gz AYXLZUQUHRAJER-CYBMUJFWSA-N -1 3 399.524 3.216 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000736697747 1450261689 /nfs/dbraw/zinc/26/16/89/1450261689.db2.gz AYXLZUQUHRAJER-CYBMUJFWSA-N -1 3 399.524 3.216 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@H](C(C)(C)C)C1 ZINC000824052342 1450273078 /nfs/dbraw/zinc/27/30/78/1450273078.db2.gz NLDPMWCVGYSBMO-NEPJUHHUSA-N -1 3 388.541 3.112 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@H](C(C)(C)C)C1 ZINC000824052342 1450273082 /nfs/dbraw/zinc/27/30/82/1450273082.db2.gz NLDPMWCVGYSBMO-NEPJUHHUSA-N -1 3 388.541 3.112 20 0 GGADHM C[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569031 1450293929 /nfs/dbraw/zinc/29/39/29/1450293929.db2.gz FYLLXUWGXBCJAK-MGPLVRAMSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824569031 1450293933 /nfs/dbraw/zinc/29/39/33/1450293933.db2.gz FYLLXUWGXBCJAK-MGPLVRAMSA-N -1 3 395.360 3.409 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](c2ccco2)N2CCCCC2)c1-c1nn[n-]n1 ZINC000826239467 1450322690 /nfs/dbraw/zinc/32/26/90/1450322690.db2.gz IHQSMVHLILCLDN-CQSZACIVSA-N -1 3 387.875 3.456 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](c2ccco2)N2CCCCC2)c1-c1nnn[n-]1 ZINC000826239467 1450322693 /nfs/dbraw/zinc/32/26/93/1450322693.db2.gz IHQSMVHLILCLDN-CQSZACIVSA-N -1 3 387.875 3.456 20 0 GGADHM COc1ccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000821804924 1450354198 /nfs/dbraw/zinc/35/41/98/1450354198.db2.gz QYLFDIJIPJBYLF-RTBURBONSA-N -1 3 383.427 3.024 20 0 GGADHM C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736127058 1450367836 /nfs/dbraw/zinc/36/78/36/1450367836.db2.gz QKGXUCOKIYSTAE-CYBMUJFWSA-N -1 3 390.447 3.166 20 0 GGADHM C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736127058 1450367839 /nfs/dbraw/zinc/36/78/39/1450367839.db2.gz QKGXUCOKIYSTAE-CYBMUJFWSA-N -1 3 390.447 3.166 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)cc2)CC1 ZINC000825466342 1450378626 /nfs/dbraw/zinc/37/86/26/1450378626.db2.gz ZSXHHUHUGOTOOZ-HNNXBMFYSA-N -1 3 395.486 3.321 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2)CC1 ZINC000825466342 1450378630 /nfs/dbraw/zinc/37/86/30/1450378630.db2.gz ZSXHHUHUGOTOOZ-HNNXBMFYSA-N -1 3 395.486 3.321 20 0 GGADHM Cc1nccn1-c1ccc([C@@H](C)NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826330625 1450434842 /nfs/dbraw/zinc/43/48/42/1450434842.db2.gz BEULXYJQYKPRTE-CYBMUJFWSA-N -1 3 377.427 3.351 20 0 GGADHM Cc1nccn1-c1ccc([C@@H](C)NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826330625 1450434845 /nfs/dbraw/zinc/43/48/45/1450434845.db2.gz BEULXYJQYKPRTE-CYBMUJFWSA-N -1 3 377.427 3.351 20 0 GGADHM C[C@@H](NCc1ccccc1-c1cnn(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617739 1450451545 /nfs/dbraw/zinc/45/15/45/1450451545.db2.gz JWRZCULKOCLZDD-CYBMUJFWSA-N -1 3 377.427 3.257 20 0 GGADHM CCOCCOc1cc(C)ccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821384361 1450462209 /nfs/dbraw/zinc/46/22/09/1450462209.db2.gz WILMBKSWHGBKEJ-MRXNPFEDSA-N -1 3 381.480 3.441 20 0 GGADHM CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000736512411 1450482470 /nfs/dbraw/zinc/48/24/70/1450482470.db2.gz ZGANPBAKLUGRBQ-UHFFFAOYSA-N -1 3 387.532 3.459 20 0 GGADHM CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000736512411 1450482475 /nfs/dbraw/zinc/48/24/75/1450482475.db2.gz ZGANPBAKLUGRBQ-UHFFFAOYSA-N -1 3 387.532 3.459 20 0 GGADHM O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]12 ZINC001164402201 718857636 /nfs/dbraw/zinc/85/76/36/718857636.db2.gz JIXYDNDIEMKLHI-VHSXEESVSA-N -1 3 382.823 3.136 20 0 GGADHM Cc1nc([C@H]2COCCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)cs1 ZINC001164752799 720863996 /nfs/dbraw/zinc/86/39/96/720863996.db2.gz USKQPJCVWZHFBO-SECBINFHSA-N -1 3 378.857 3.306 20 0 GGADHM COC(=O)CCN(Cc1ccco1)C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165049918 721982605 /nfs/dbraw/zinc/98/26/05/721982605.db2.gz OJHBIVHIHCOINP-UHFFFAOYSA-N -1 3 377.800 3.126 20 0 GGADHM Cc1nnc([C@H](C)OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737523961 945088621 /nfs/dbraw/zinc/08/86/21/945088621.db2.gz YIFPBUVJRMIDDO-NSHDSACASA-N -1 3 392.375 3.268 20 0 GGADHM Cc1nnc([C@H](C)OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737523961 945088629 /nfs/dbraw/zinc/08/86/29/945088629.db2.gz YIFPBUVJRMIDDO-NSHDSACASA-N -1 3 392.375 3.268 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cc(Br)cs1 ZINC000737854563 945139074 /nfs/dbraw/zinc/13/90/74/945139074.db2.gz RVJRERVGUKCVLR-UHFFFAOYSA-N -1 3 393.266 3.367 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Br)cs1 ZINC000737854563 945139077 /nfs/dbraw/zinc/13/90/77/945139077.db2.gz RVJRERVGUKCVLR-UHFFFAOYSA-N -1 3 393.266 3.367 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N(C)C)cc1 ZINC000780358298 939109289 /nfs/dbraw/zinc/10/92/89/939109289.db2.gz GLPJXYBVDXKMLQ-RTBURBONSA-N -1 3 375.513 3.184 20 0 GGADHM O=C([O-])[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000780359945 939109888 /nfs/dbraw/zinc/10/98/88/939109888.db2.gz NTYRKVIHXDJWBN-NVXWUHKLSA-N -1 3 379.526 3.218 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(OC)c1 ZINC000780374417 939112025 /nfs/dbraw/zinc/11/20/25/939112025.db2.gz OHHNEWXOZMWIAP-VQTJNVASSA-N -1 3 399.491 3.203 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(OC)c1 ZINC000780374418 939112157 /nfs/dbraw/zinc/11/21/57/939112157.db2.gz OHHNEWXOZMWIAP-WOJBJXKFSA-N -1 3 399.491 3.203 20 0 GGADHM CC(C)(CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)N1CCc2ccccc2C1 ZINC000780384121 939112862 /nfs/dbraw/zinc/11/28/62/939112862.db2.gz CGOCULSHDYNZRI-IBGZPJMESA-N -1 3 387.524 3.156 20 0 GGADHM CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)N1CCc2ccccc2C1 ZINC000780391049 939114213 /nfs/dbraw/zinc/11/42/13/939114213.db2.gz OZTBREUTPSUMDT-PMACEKPBSA-N -1 3 387.524 3.156 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000780404006 939117099 /nfs/dbraw/zinc/11/70/99/939117099.db2.gz RMDCGQUUPXSZJN-IRXDYDNUSA-N -1 3 375.494 3.256 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000780404004 939117114 /nfs/dbraw/zinc/11/71/14/939117114.db2.gz RMDCGQUUPXSZJN-DLBZAZTESA-N -1 3 375.494 3.256 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2)CC1 ZINC000902000538 939282766 /nfs/dbraw/zinc/28/27/66/939282766.db2.gz OMQCJBMWXSNMJN-UHFFFAOYSA-N -1 3 387.524 3.124 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000902860914 939290981 /nfs/dbraw/zinc/29/09/81/939290981.db2.gz YRDFJFHSSADGND-APWZRJJASA-N -1 3 388.414 3.119 20 0 GGADHM Cc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000908622793 939302425 /nfs/dbraw/zinc/30/24/25/939302425.db2.gz YZBXXSIWBRGOGP-NRFANRHFSA-N -1 3 385.439 3.375 20 0 GGADHM CCc1ccc(C)nc1NC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000908653153 939303708 /nfs/dbraw/zinc/30/37/08/939303708.db2.gz YBJHTNHKMGQOIQ-QFIPXVFZSA-N -1 3 396.491 3.193 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Nc2cc(C3CC3)ccn2)CCCN(Cc2ccccc2)C1 ZINC000908672687 939305365 /nfs/dbraw/zinc/30/53/65/939305365.db2.gz BORWQWCMVQPCAC-JOCHJYFZSA-N -1 3 394.475 3.200 20 0 GGADHM O=C([O-])[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1F ZINC000908750318 939310882 /nfs/dbraw/zinc/31/08/82/939310882.db2.gz CPBUICIIQSZROR-WBVHZDCISA-N -1 3 391.468 3.149 20 0 GGADHM O=C([O-])[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1cccs1 ZINC000908750759 939311318 /nfs/dbraw/zinc/31/13/18/939311318.db2.gz IFHIZPWDKNTAQN-DOMZBBRYSA-N -1 3 379.507 3.072 20 0 GGADHM O=C([O-])C1(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCCC1 ZINC000908752947 939312228 /nfs/dbraw/zinc/31/22/28/939312228.db2.gz UAMFBUVRNUFFIE-OAHLLOKOSA-N -1 3 379.526 3.362 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cccs2)N(C)C)cc1 ZINC000908753738 939312621 /nfs/dbraw/zinc/31/26/21/939312621.db2.gz OXRRGWADVOWCMY-WBVHZDCISA-N -1 3 375.494 3.038 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)N(C)C)cc1 ZINC000908753684 939313007 /nfs/dbraw/zinc/31/30/07/939313007.db2.gz NSDQIXGXYTVECK-FQELHTAISA-N -1 3 375.513 3.184 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1ccsc1 ZINC000908801883 939322963 /nfs/dbraw/zinc/32/29/63/939322963.db2.gz LLTBOBKGWRQTTG-QOKNQOGYSA-N -1 3 381.542 3.464 20 0 GGADHM C[C@H]1CC[C@@](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)(C(=O)[O-])CC1 ZINC000908805687 939323233 /nfs/dbraw/zinc/32/32/33/939323233.db2.gz BKJRNVRFSBJZRF-CIEDQVTBSA-N -1 3 387.524 3.156 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccsc1 ZINC000908807025 939323723 /nfs/dbraw/zinc/32/37/23/939323723.db2.gz RYFSPXCTYASJAT-UKRRQHHQSA-N -1 3 381.523 3.318 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccsc1 ZINC000908807052 939324115 /nfs/dbraw/zinc/32/41/15/939324115.db2.gz SIUOGQJQZNSIER-DLBZAZTESA-N -1 3 393.484 3.395 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000908807047 939324295 /nfs/dbraw/zinc/32/42/95/939324295.db2.gz SHBHVIPKHDOZMD-XLIONFOSSA-N -1 3 389.521 3.430 20 0 GGADHM CC[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)N1CCc2ccccc2C1 ZINC000908809674 939324518 /nfs/dbraw/zinc/32/45/18/939324518.db2.gz OPYRQLAPVMUNBU-NFBKMPQASA-N -1 3 395.503 3.123 20 0 GGADHM CC[C@H](CNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)N1CCc2ccccc2C1 ZINC000908809676 939324882 /nfs/dbraw/zinc/32/48/82/939324882.db2.gz OPYRQLAPVMUNBU-OFNKIYASSA-N -1 3 395.503 3.123 20 0 GGADHM Cc1ccc([C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908846822 939335265 /nfs/dbraw/zinc/33/52/65/939335265.db2.gz DCQPGFQJWJPLDL-LEWJYISDSA-N -1 3 395.503 3.393 20 0 GGADHM O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCCC1 ZINC000908847715 939335949 /nfs/dbraw/zinc/33/59/49/939335949.db2.gz SJKPWKDOWGGEEU-UXHICEINSA-N -1 3 387.524 3.374 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)N(C)C)cc1 ZINC000908857487 939337748 /nfs/dbraw/zinc/33/77/48/939337748.db2.gz ABRKNVGGDGBPPY-WOJBJXKFSA-N -1 3 383.492 3.340 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)N(C)C)cc1 ZINC000908857595 939337857 /nfs/dbraw/zinc/33/78/57/939337857.db2.gz CRDQFXNMNPMCLR-UXHICEINSA-N -1 3 383.492 3.340 20 0 GGADHM CC[C@@](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)(C(=O)[O-])c1ccccc1 ZINC000908859766 939338674 /nfs/dbraw/zinc/33/86/74/939338674.db2.gz QIGZZVNJTLCDTP-KNQAVFIVSA-N -1 3 383.492 3.287 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)N(C)C)cc1 ZINC000908859881 939339124 /nfs/dbraw/zinc/33/91/24/939339124.db2.gz UNCUUCFLUIJKIN-MSOLQXFVSA-N -1 3 391.418 3.001 20 0 GGADHM CCC1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)(C(=O)[O-])CC1 ZINC000908860232 939339209 /nfs/dbraw/zinc/33/92/09/939339209.db2.gz YWLJNXIJBTVPMB-NCYVPVAZSA-N -1 3 375.513 3.321 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)N(C)C)cc1 ZINC000908859884 939339310 /nfs/dbraw/zinc/33/93/10/939339310.db2.gz UNCUUCFLUIJKIN-ZWKOTPCHSA-N -1 3 391.418 3.001 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908881150 939343586 /nfs/dbraw/zinc/34/35/86/939343586.db2.gz CTHGIBJRYUXMAX-BPAFIMBUSA-N -1 3 399.466 3.395 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908885312 939344969 /nfs/dbraw/zinc/34/49/69/939344969.db2.gz WOWHPLCKHUAWKD-HFXUHXBXSA-N -1 3 393.487 3.047 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000908884635 939344979 /nfs/dbraw/zinc/34/49/79/939344979.db2.gz LTRYHPXVUXGIDC-OGWOLHLISA-N -1 3 385.439 3.086 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908883623 939345115 /nfs/dbraw/zinc/34/51/15/939345115.db2.gz CTHGIBJRYUXMAX-ZTNFWEORSA-N -1 3 399.466 3.395 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)N2CCCC2)cc1 ZINC000908902086 939347962 /nfs/dbraw/zinc/34/79/62/939347962.db2.gz UFYRCXPBRJLKJB-WOJBJXKFSA-N -1 3 399.466 3.396 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])c1 ZINC000908991185 939367008 /nfs/dbraw/zinc/36/70/08/939367008.db2.gz ZRMPRALUBUZTJO-XLIONFOSSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1ccc([C@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1C ZINC000908990823 939367095 /nfs/dbraw/zinc/36/70/95/939367095.db2.gz VPGFBPUTYDMVTE-PXNSSMCTSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])c1C ZINC000908998075 939368320 /nfs/dbraw/zinc/36/83/20/939368320.db2.gz PQDJZRQOJXOUFA-TZIWHRDSSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1cccc([C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])c1C ZINC000908998066 939368568 /nfs/dbraw/zinc/36/85/68/939368568.db2.gz PQDJZRQOJXOUFA-CTNGQTDRSA-N -1 3 395.503 3.393 20 0 GGADHM CC[C@@](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908998437 939369135 /nfs/dbraw/zinc/36/91/35/939369135.db2.gz RKXTZFQTJLGFEN-REWPJTCUSA-N -1 3 395.503 3.340 20 0 GGADHM Cc1ccc([C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C(=O)[O-])cc1C ZINC000908999472 939369288 /nfs/dbraw/zinc/36/92/88/939369288.db2.gz ZBGJFGQJDIGFHA-SFTDATJTSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1ccc([C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])cc1C ZINC000908999471 939369488 /nfs/dbraw/zinc/36/94/88/939369488.db2.gz ZBGJFGQJDIGFHA-RTWAWAEBSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C(=O)[O-])ccc1F ZINC000909001425 939370289 /nfs/dbraw/zinc/37/02/89/939370289.db2.gz LFJXAHVVTQHTFF-YSGRDPCXSA-N -1 3 399.466 3.222 20 0 GGADHM CC[C@](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909065609 939375859 /nfs/dbraw/zinc/37/58/59/939375859.db2.gz CJOGHIDITNYABA-DHJUGAMNSA-N -1 3 395.503 3.196 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H](C(=O)[O-])C1CCCCCC1 ZINC000909070024 939376289 /nfs/dbraw/zinc/37/62/89/939376289.db2.gz PRCPWBPCVAEAME-AHRSYUTCSA-N -1 3 387.524 3.230 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000909093661 939379522 /nfs/dbraw/zinc/37/95/22/939379522.db2.gz BRQHWSNZFJZQII-LRQRDZAKSA-N -1 3 395.503 3.391 20 0 GGADHM CCCCCCN(C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909324243 939393656 /nfs/dbraw/zinc/39/36/56/939393656.db2.gz YFQOTHXYPUQSQX-SFHVURJKSA-N -1 3 399.329 3.377 20 0 GGADHM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])C1 ZINC000909915995 939744329 /nfs/dbraw/zinc/74/43/29/939744329.db2.gz ZBKIJUUMDRVFCV-MISYRCLQSA-N -1 3 388.508 3.061 20 0 GGADHM COc1cccc([C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])c1 ZINC000909944029 939744890 /nfs/dbraw/zinc/74/48/90/939744890.db2.gz GLQDRNUVEBBTJG-FQEVSTJZSA-N -1 3 382.460 3.237 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000910378610 939754905 /nfs/dbraw/zinc/75/49/05/939754905.db2.gz BQLYBEIRDFDNFT-INIZCTEOSA-N -1 3 380.366 3.323 20 0 GGADHM O=C([O-])[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc2ccccc21 ZINC000910935674 939759211 /nfs/dbraw/zinc/75/92/11/939759211.db2.gz JSVHQVWUSKASQG-NRFANRHFSA-N -1 3 396.487 3.117 20 0 GGADHM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1CCCCCC1 ZINC000910938303 939761519 /nfs/dbraw/zinc/76/15/19/939761519.db2.gz WSHVVUPAOUVHIY-IUODEOHRSA-N -1 3 388.386 3.092 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)c1 ZINC000910939001 939762210 /nfs/dbraw/zinc/76/22/10/939762210.db2.gz AACSDZBIUDGIAF-MRXNPFEDSA-N -1 3 396.365 3.203 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cnc3ccccc3c2)CCCN(Cc2ccccc2)C1 ZINC001123278037 939820128 /nfs/dbraw/zinc/82/01/28/939820128.db2.gz QNGZEZKEGFVGSO-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)CCCc2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC001123378690 939824252 /nfs/dbraw/zinc/82/42/52/939824252.db2.gz JELWJVGWXMITNO-HSZRJFAPSA-N -1 3 398.478 3.384 20 0 GGADHM CC[C@@](NC(=O)NC[C@H]1CCN1C(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000656585974 939845221 /nfs/dbraw/zinc/84/52/21/939845221.db2.gz HXRKGLCFRWXCDK-BEFAXECRSA-N -1 3 381.904 3.202 20 0 GGADHM CC[C@](NC(=O)NC[C@@H]1CCN1C(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000656585976 939845226 /nfs/dbraw/zinc/84/52/26/939845226.db2.gz HXRKGLCFRWXCDK-HNAYVOBHSA-N -1 3 381.904 3.202 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000819959046 945318973 /nfs/dbraw/zinc/31/89/73/945318973.db2.gz WHHVHCJOOVKGFR-UHFFFAOYSA-N -1 3 375.820 3.127 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000819959046 945318983 /nfs/dbraw/zinc/31/89/83/945318983.db2.gz WHHVHCJOOVKGFR-UHFFFAOYSA-N -1 3 375.820 3.127 20 0 GGADHM CC(C)C1(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820032145 945335717 /nfs/dbraw/zinc/33/57/17/945335717.db2.gz LPIOXIONQFASEB-UHFFFAOYSA-N -1 3 381.436 3.205 20 0 GGADHM CC(C)C1(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820032145 945335724 /nfs/dbraw/zinc/33/57/24/945335724.db2.gz LPIOXIONQFASEB-UHFFFAOYSA-N -1 3 381.436 3.205 20 0 GGADHM CC(C)n1ncc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1-c1ccccc1 ZINC000488874043 944634085 /nfs/dbraw/zinc/63/40/85/944634085.db2.gz UKQYHZOZHIALJC-UHFFFAOYSA-N -1 3 387.447 3.241 20 0 GGADHM CC(C)n1ncc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1-c1ccccc1 ZINC000488874043 944634092 /nfs/dbraw/zinc/63/40/92/944634092.db2.gz UKQYHZOZHIALJC-UHFFFAOYSA-N -1 3 387.447 3.241 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1coc(-c2ccccc2Cl)n1 ZINC000538525976 944636112 /nfs/dbraw/zinc/63/61/12/944636112.db2.gz BCNYVNOFUAKFJJ-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1coc(-c2ccccc2Cl)n1 ZINC000538525976 944636118 /nfs/dbraw/zinc/63/61/18/944636118.db2.gz BCNYVNOFUAKFJJ-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM CCCCCC[C@@H](C)CC(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736443591 944822742 /nfs/dbraw/zinc/82/27/42/944822742.db2.gz AJXLUFRVPATHRM-CQSZACIVSA-N -1 3 396.499 3.113 20 0 GGADHM CCCO[C@@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736486934 944833347 /nfs/dbraw/zinc/83/33/47/944833347.db2.gz BNMSIIWAWMKTOA-CYBMUJFWSA-N -1 3 394.932 3.498 20 0 GGADHM CCCO[C@@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736486934 944833357 /nfs/dbraw/zinc/83/33/57/944833357.db2.gz BNMSIIWAWMKTOA-CYBMUJFWSA-N -1 3 394.932 3.498 20 0 GGADHM CCCO[C@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736486935 944833667 /nfs/dbraw/zinc/83/36/67/944833667.db2.gz BNMSIIWAWMKTOA-ZDUSSCGKSA-N -1 3 394.932 3.498 20 0 GGADHM CCCO[C@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736486935 944833672 /nfs/dbraw/zinc/83/36/72/944833672.db2.gz BNMSIIWAWMKTOA-ZDUSSCGKSA-N -1 3 394.932 3.498 20 0 GGADHM CCCOc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c(C)c1 ZINC000736491658 944833938 /nfs/dbraw/zinc/83/39/38/944833938.db2.gz WSRAUGPAZMQAJZ-UHFFFAOYSA-N -1 3 387.465 3.073 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000736627839 944859601 /nfs/dbraw/zinc/85/96/01/944859601.db2.gz OJMICSYDVAOXHP-JSGCOSHPSA-N -1 3 386.358 3.253 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000736627839 944859607 /nfs/dbraw/zinc/85/96/07/944859607.db2.gz OJMICSYDVAOXHP-JSGCOSHPSA-N -1 3 386.358 3.253 20 0 GGADHM CN(Cc1cc[nH]n1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736815399 944893769 /nfs/dbraw/zinc/89/37/69/944893769.db2.gz YWUXVLOGLOAEKY-UHFFFAOYSA-N -1 3 390.407 3.046 20 0 GGADHM CN(Cc1cc[nH]n1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736815399 944893773 /nfs/dbraw/zinc/89/37/73/944893773.db2.gz YWUXVLOGLOAEKY-UHFFFAOYSA-N -1 3 390.407 3.046 20 0 GGADHM O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC001602041547 971125658 /nfs/dbraw/zinc/12/56/58/971125658.db2.gz FRCYGQBAUFCXEA-FQEVSTJZSA-N -1 3 381.476 3.490 20 0 GGADHM COc1cc(Cl)ccc1CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737047195 944939778 /nfs/dbraw/zinc/93/97/78/944939778.db2.gz JJQXBAHCIBVXLL-LLVKDONJSA-N -1 3 386.843 3.089 20 0 GGADHM COc1cc(Cl)ccc1CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737047195 944939783 /nfs/dbraw/zinc/93/97/83/944939783.db2.gz JJQXBAHCIBVXLL-LLVKDONJSA-N -1 3 386.843 3.089 20 0 GGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737353509 945047364 /nfs/dbraw/zinc/04/73/64/945047364.db2.gz URQRSGWSKXYFQJ-UHFFFAOYSA-N -1 3 376.445 3.479 20 0 GGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737353509 945047371 /nfs/dbraw/zinc/04/73/71/945047371.db2.gz URQRSGWSKXYFQJ-UHFFFAOYSA-N -1 3 376.445 3.479 20 0 GGADHM CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820192342 945369768 /nfs/dbraw/zinc/36/97/68/945369768.db2.gz KLLUNUCAVLAFLI-UHFFFAOYSA-N -1 3 377.857 3.444 20 0 GGADHM C[C@@H](NC(=O)N(Cc1cccc(F)c1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340479 945419155 /nfs/dbraw/zinc/41/91/55/945419155.db2.gz LJZZZPOIGBTGHC-CYBMUJFWSA-N -1 3 380.427 3.441 20 0 GGADHM C[C@@H](NC(=O)N(Cc1cccc(F)c1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340479 945419164 /nfs/dbraw/zinc/41/91/64/945419164.db2.gz LJZZZPOIGBTGHC-CYBMUJFWSA-N -1 3 380.427 3.441 20 0 GGADHM C[C@H](NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341218 945419494 /nfs/dbraw/zinc/41/94/94/945419494.db2.gz ORXHCAGAONTXMR-LBPRGKRZSA-N -1 3 398.417 3.090 20 0 GGADHM C[C@H](NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341218 945419496 /nfs/dbraw/zinc/41/94/96/945419496.db2.gz ORXHCAGAONTXMR-LBPRGKRZSA-N -1 3 398.417 3.090 20 0 GGADHM C[C@H](NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C1CCCCC1 ZINC000820342842 945420878 /nfs/dbraw/zinc/42/08/78/945420878.db2.gz WLLWIQRRRCTVDK-HNNXBMFYSA-N -1 3 398.511 3.388 20 0 GGADHM C[C@H](NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C1CCCCC1 ZINC000820342842 945420886 /nfs/dbraw/zinc/42/08/86/945420886.db2.gz WLLWIQRRRCTVDK-HNNXBMFYSA-N -1 3 398.511 3.388 20 0 GGADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(Cl)ccc2n1C ZINC000820495275 945464457 /nfs/dbraw/zinc/46/44/57/945464457.db2.gz GIWOXUDATQTRPY-NSHDSACASA-N -1 3 396.838 3.254 20 0 GGADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc2cc(Cl)ccc2n1C ZINC000820495275 945464461 /nfs/dbraw/zinc/46/44/61/945464461.db2.gz GIWOXUDATQTRPY-NSHDSACASA-N -1 3 396.838 3.254 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(OC(F)(F)F)cc1 ZINC000820507257 945470613 /nfs/dbraw/zinc/47/06/13/945470613.db2.gz GBAXCHAKHNQISD-SECBINFHSA-N -1 3 381.314 3.022 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(OC(F)(F)F)cc1 ZINC000820507257 945470621 /nfs/dbraw/zinc/47/06/21/945470621.db2.gz GBAXCHAKHNQISD-SECBINFHSA-N -1 3 381.314 3.022 20 0 GGADHM C[C@@H](OC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513026 945472508 /nfs/dbraw/zinc/47/25/08/945472508.db2.gz SIKBXSZKICHEFE-GFCCVEGCSA-N -1 3 392.419 3.069 20 0 GGADHM C[C@@H](OC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513026 945472513 /nfs/dbraw/zinc/47/25/13/945472513.db2.gz SIKBXSZKICHEFE-GFCCVEGCSA-N -1 3 392.419 3.069 20 0 GGADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)O1 ZINC000820690446 945527228 /nfs/dbraw/zinc/52/72/28/945527228.db2.gz LYRYRVNCXGRIJL-XJKSGUPXSA-N -1 3 394.435 3.340 20 0 GGADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)O1 ZINC000820690446 945527236 /nfs/dbraw/zinc/52/72/36/945527236.db2.gz LYRYRVNCXGRIJL-XJKSGUPXSA-N -1 3 394.435 3.340 20 0 GGADHM CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820864468 945576106 /nfs/dbraw/zinc/57/61/06/945576106.db2.gz ZQOYRBIMSJQGJQ-CXAGYDPISA-N -1 3 397.504 3.155 20 0 GGADHM CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820864468 945576112 /nfs/dbraw/zinc/57/61/12/945576112.db2.gz ZQOYRBIMSJQGJQ-CXAGYDPISA-N -1 3 397.504 3.155 20 0 GGADHM CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820864472 945576319 /nfs/dbraw/zinc/57/63/19/945576319.db2.gz ZQOYRBIMSJQGJQ-GUYCJALGSA-N -1 3 397.504 3.155 20 0 GGADHM CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820864472 945576328 /nfs/dbraw/zinc/57/63/28/945576328.db2.gz ZQOYRBIMSJQGJQ-GUYCJALGSA-N -1 3 397.504 3.155 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821000727 945607914 /nfs/dbraw/zinc/60/79/14/945607914.db2.gz IMOQLPCPSAJUAF-GOSISDBHSA-N -1 3 380.427 3.225 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821000727 945607919 /nfs/dbraw/zinc/60/79/19/945607919.db2.gz IMOQLPCPSAJUAF-GOSISDBHSA-N -1 3 380.427 3.225 20 0 GGADHM CCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H](C)c1cccc(OC)c1 ZINC000821153396 945645148 /nfs/dbraw/zinc/64/51/48/945645148.db2.gz AMVZAWKUYMZHKU-ZDUSSCGKSA-N -1 3 398.442 3.307 20 0 GGADHM CCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H](C)c1cccc(OC)c1 ZINC000821153396 945645150 /nfs/dbraw/zinc/64/51/50/945645150.db2.gz AMVZAWKUYMZHKU-ZDUSSCGKSA-N -1 3 398.442 3.307 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2c(OC)n1 ZINC000821304605 945665960 /nfs/dbraw/zinc/66/59/60/945665960.db2.gz NEZHKHRMYDTWKM-UHFFFAOYSA-N -1 3 389.419 3.108 20 0 GGADHM CN(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(C(F)(F)F)c1 ZINC000821589441 945727402 /nfs/dbraw/zinc/72/74/02/945727402.db2.gz NJIUCANDGQSZLM-UHFFFAOYSA-N -1 3 382.371 3.265 20 0 GGADHM CN(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(C(F)(F)F)c1 ZINC000821589441 945727413 /nfs/dbraw/zinc/72/74/13/945727413.db2.gz NJIUCANDGQSZLM-UHFFFAOYSA-N -1 3 382.371 3.265 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000821609743 945742311 /nfs/dbraw/zinc/74/23/11/945742311.db2.gz JYOXWWLBYICMSP-UHFFFAOYSA-N -1 3 376.464 3.129 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000821609743 945742320 /nfs/dbraw/zinc/74/23/20/945742320.db2.gz JYOXWWLBYICMSP-UHFFFAOYSA-N -1 3 376.464 3.129 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821698257 945830153 /nfs/dbraw/zinc/83/01/53/945830153.db2.gz BQZQLOAOPYOZJY-HNNXBMFYSA-N -1 3 394.479 3.395 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821698257 945830166 /nfs/dbraw/zinc/83/01/66/945830166.db2.gz BQZQLOAOPYOZJY-HNNXBMFYSA-N -1 3 394.479 3.395 20 0 GGADHM COc1cc(CC2CN(c3c(Cl)cccc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821712359 945844004 /nfs/dbraw/zinc/84/40/04/945844004.db2.gz GGLPSPXBIWQRKB-UHFFFAOYSA-N -1 3 385.855 3.216 20 0 GGADHM COc1cc(CC2CN(c3c(Cl)cccc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821712359 945844015 /nfs/dbraw/zinc/84/40/15/945844015.db2.gz GGLPSPXBIWQRKB-UHFFFAOYSA-N -1 3 385.855 3.216 20 0 GGADHM COc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821846658 945884023 /nfs/dbraw/zinc/88/40/23/945884023.db2.gz XEZWZRVCAGHRPT-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM COc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821846658 945884036 /nfs/dbraw/zinc/88/40/36/945884036.db2.gz XEZWZRVCAGHRPT-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM Cc1cc(C)c(NC(=O)CNc2nc3ccccc3cc2-c2nnn[n-]2)c(C)c1 ZINC000822194041 945977404 /nfs/dbraw/zinc/97/74/04/945977404.db2.gz GQDCSLSHRVPEMH-UHFFFAOYSA-N -1 3 387.447 3.391 20 0 GGADHM Cc1cc(C)c(NC(=O)CNc2nc3ccccc3cc2-c2nn[n-]n2)c(C)c1 ZINC000822194041 945977414 /nfs/dbraw/zinc/97/74/14/945977414.db2.gz GQDCSLSHRVPEMH-UHFFFAOYSA-N -1 3 387.447 3.391 20 0 GGADHM Cc1cc(F)c(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1F ZINC000822202037 945987790 /nfs/dbraw/zinc/98/77/90/945987790.db2.gz IGWZNWNSZSIIHE-UHFFFAOYSA-N -1 3 389.431 3.117 20 0 GGADHM Cc1cc(F)c(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1F ZINC000822202037 945987799 /nfs/dbraw/zinc/98/77/99/945987799.db2.gz IGWZNWNSZSIIHE-UHFFFAOYSA-N -1 3 389.431 3.117 20 0 GGADHM Cc1ccccc1[C@@H]1CN(CCOc2cccc(-c3nn[n-]n3)c2)[C@H](C)CO1 ZINC000822352438 946066444 /nfs/dbraw/zinc/06/64/44/946066444.db2.gz ZOQGDDYUFBYIMA-UZLBHIALSA-N -1 3 379.464 3.016 20 0 GGADHM Cc1ccccc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000822366275 946071431 /nfs/dbraw/zinc/07/14/31/946071431.db2.gz FZTOBUFCUCNUQK-UHFFFAOYSA-N -1 3 385.493 3.022 20 0 GGADHM Cc1ccccc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000822366275 946071447 /nfs/dbraw/zinc/07/14/47/946071447.db2.gz FZTOBUFCUCNUQK-UHFFFAOYSA-N -1 3 385.493 3.022 20 0 GGADHM Cc1oc(NC(=O)CN(C)[C@H](C)c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1C ZINC000822541706 946118955 /nfs/dbraw/zinc/11/89/55/946118955.db2.gz POLCFMRIBAQEPP-LLVKDONJSA-N -1 3 388.859 3.361 20 0 GGADHM Cc1oc(NC(=O)CN(C)[C@H](C)c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1C ZINC000822541706 946118964 /nfs/dbraw/zinc/11/89/64/946118964.db2.gz POLCFMRIBAQEPP-LLVKDONJSA-N -1 3 388.859 3.361 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000822623055 946140667 /nfs/dbraw/zinc/14/06/67/946140667.db2.gz NZSKUWFNGBGGBA-UHFFFAOYSA-N -1 3 394.385 3.330 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000822623055 946140676 /nfs/dbraw/zinc/14/06/76/946140676.db2.gz NZSKUWFNGBGGBA-UHFFFAOYSA-N -1 3 394.385 3.330 20 0 GGADHM NC(=O)c1ccc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000822885149 946212101 /nfs/dbraw/zinc/21/21/01/946212101.db2.gz JAFAMCABXBGWKQ-UHFFFAOYSA-N -1 3 387.399 3.337 20 0 GGADHM NC(=O)c1ccc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000822885149 946212113 /nfs/dbraw/zinc/21/21/13/946212113.db2.gz JAFAMCABXBGWKQ-UHFFFAOYSA-N -1 3 387.399 3.337 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000822928207 946219436 /nfs/dbraw/zinc/21/94/36/946219436.db2.gz DUDIPVWTZHQAQL-FKLRVFMWSA-N -1 3 395.488 3.056 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000822928207 946219449 /nfs/dbraw/zinc/21/94/49/946219449.db2.gz DUDIPVWTZHQAQL-FKLRVFMWSA-N -1 3 395.488 3.056 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc(F)cc1F ZINC000822955156 946232994 /nfs/dbraw/zinc/23/29/94/946232994.db2.gz KFWICTALFGFUEE-UHFFFAOYSA-N -1 3 388.374 3.437 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccc(F)cc1F ZINC000822955156 946233005 /nfs/dbraw/zinc/23/30/05/946233005.db2.gz KFWICTALFGFUEE-UHFFFAOYSA-N -1 3 388.374 3.437 20 0 GGADHM O=C(COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1CCCCC1 ZINC000823040563 946288673 /nfs/dbraw/zinc/28/86/73/946288673.db2.gz NUCXLCWQDCBRRG-UHFFFAOYSA-N -1 3 379.420 3.050 20 0 GGADHM O=C(COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1CCCCC1 ZINC000823040563 946288680 /nfs/dbraw/zinc/28/86/80/946288680.db2.gz NUCXLCWQDCBRRG-UHFFFAOYSA-N -1 3 379.420 3.050 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000823235816 946353189 /nfs/dbraw/zinc/35/31/89/946353189.db2.gz YJXALSFFUDLQQT-DNVCBOLYSA-N -1 3 394.454 3.216 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000823235816 946353199 /nfs/dbraw/zinc/35/31/99/946353199.db2.gz YJXALSFFUDLQQT-DNVCBOLYSA-N -1 3 394.454 3.216 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823443843 946432837 /nfs/dbraw/zinc/43/28/37/946432837.db2.gz FUDMMXGFPIDJTN-JKSUJKDBSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823443843 946432845 /nfs/dbraw/zinc/43/28/45/946432845.db2.gz FUDMMXGFPIDJTN-JKSUJKDBSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823443840 946433093 /nfs/dbraw/zinc/43/30/93/946433093.db2.gz FUDMMXGFPIDJTN-HZPDHXFCSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823443840 946433100 /nfs/dbraw/zinc/43/31/00/946433100.db2.gz FUDMMXGFPIDJTN-HZPDHXFCSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823443836 946433227 /nfs/dbraw/zinc/43/32/27/946433227.db2.gz FUDMMXGFPIDJTN-CVEARBPZSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823443836 946433233 /nfs/dbraw/zinc/43/32/33/946433233.db2.gz FUDMMXGFPIDJTN-CVEARBPZSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000823460152 946435049 /nfs/dbraw/zinc/43/50/49/946435049.db2.gz JEJLQAAQPZJHCT-UHFFFAOYSA-N -1 3 377.235 3.306 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000823460152 946435053 /nfs/dbraw/zinc/43/50/53/946435053.db2.gz JEJLQAAQPZJHCT-UHFFFAOYSA-N -1 3 377.235 3.306 20 0 GGADHM Brc1ccc(N2CCC(C3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823827057 946485790 /nfs/dbraw/zinc/48/57/90/946485790.db2.gz SQJRVFVKYJQYTK-UHFFFAOYSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1ccc(N2CCC(C3CCOCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823827057 946485794 /nfs/dbraw/zinc/48/57/94/946485794.db2.gz SQJRVFVKYJQYTK-UHFFFAOYSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823826218 946486712 /nfs/dbraw/zinc/48/67/12/946486712.db2.gz DOVAJOVOCFGMDS-UHFFFAOYSA-N -1 3 399.296 3.483 20 0 GGADHM Brc1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823826218 946486714 /nfs/dbraw/zinc/48/67/14/946486714.db2.gz DOVAJOVOCFGMDS-UHFFFAOYSA-N -1 3 399.296 3.483 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823942761 946524295 /nfs/dbraw/zinc/52/42/95/946524295.db2.gz IWWJDCDLQBWIRI-GRFAERAESA-N -1 3 389.459 3.179 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823942761 946524303 /nfs/dbraw/zinc/52/43/03/946524303.db2.gz IWWJDCDLQBWIRI-GRFAERAESA-N -1 3 389.459 3.179 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000824014870 946549381 /nfs/dbraw/zinc/54/93/81/946549381.db2.gz NIPJIIINACMGLU-UHFFFAOYSA-N -1 3 392.341 3.018 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000824014870 946549394 /nfs/dbraw/zinc/54/93/94/946549394.db2.gz NIPJIIINACMGLU-UHFFFAOYSA-N -1 3 392.341 3.018 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)Cc1ccc(Br)o1 ZINC000824015146 946553044 /nfs/dbraw/zinc/55/30/44/946553044.db2.gz QNVIOVPOEQKNIQ-UHFFFAOYSA-N -1 3 376.214 3.061 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)Cc1ccc(Br)o1 ZINC000824015146 946553050 /nfs/dbraw/zinc/55/30/50/946553050.db2.gz QNVIOVPOEQKNIQ-UHFFFAOYSA-N -1 3 376.214 3.061 20 0 GGADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)C1CCCC1 ZINC000824046801 946567317 /nfs/dbraw/zinc/56/73/17/946567317.db2.gz VMLVFTQIKLENCO-LLVKDONJSA-N -1 3 385.859 3.471 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000824223339 946625984 /nfs/dbraw/zinc/62/59/84/946625984.db2.gz GVQNNSXXMFHPBG-SFHVURJKSA-N -1 3 377.448 3.316 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000824223339 946625992 /nfs/dbraw/zinc/62/59/92/946625992.db2.gz GVQNNSXXMFHPBG-SFHVURJKSA-N -1 3 377.448 3.316 20 0 GGADHM CC(C)[C@@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000824225046 946626069 /nfs/dbraw/zinc/62/60/69/946626069.db2.gz RUHMQWHVKHQRAR-NRFANRHFSA-N -1 3 393.491 3.303 20 0 GGADHM Brc1cnc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1-c1nnn[n-]1 ZINC001573279032 946629036 /nfs/dbraw/zinc/62/90/36/946629036.db2.gz BGIXPVHRYJVEQQ-AXAPSJFSSA-N -1 3 383.253 3.022 20 0 GGADHM Brc1cnc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1-c1nn[n-]n1 ZINC001573279032 946629042 /nfs/dbraw/zinc/62/90/42/946629042.db2.gz BGIXPVHRYJVEQQ-AXAPSJFSSA-N -1 3 383.253 3.022 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(Nc2cnn(Cc3ccccn3)c2)c1 ZINC001573279399 946638912 /nfs/dbraw/zinc/63/89/12/946638912.db2.gz HICOQWWXHVCQHJ-UHFFFAOYSA-N -1 3 397.240 3.013 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(Nc2cnn(Cc3ccccn3)c2)c1 ZINC001573279399 946638920 /nfs/dbraw/zinc/63/89/20/946638920.db2.gz HICOQWWXHVCQHJ-UHFFFAOYSA-N -1 3 397.240 3.013 20 0 GGADHM Brc1ccc(CCNc2nc3ncccc3cc2-c2nnn[n-]2)cc1 ZINC001573279601 946643922 /nfs/dbraw/zinc/64/39/22/946643922.db2.gz KPPBRJLPPOJWMH-UHFFFAOYSA-N -1 3 396.252 3.227 20 0 GGADHM Brc1ccc(CCNc2nc3ncccc3cc2-c2nn[n-]n2)cc1 ZINC001573279601 946643929 /nfs/dbraw/zinc/64/39/29/946643929.db2.gz KPPBRJLPPOJWMH-UHFFFAOYSA-N -1 3 396.252 3.227 20 0 GGADHM Brc1c2ccccc2oc1CNCc1ccc(-c2nnn[n-]2)cn1 ZINC001573279654 946645323 /nfs/dbraw/zinc/64/53/23/946645323.db2.gz KXKGYKLWXRNWDT-UHFFFAOYSA-N -1 3 385.225 3.060 20 0 GGADHM Brc1c2ccccc2oc1CNCc1ccc(-c2nn[n-]n2)cn1 ZINC001573279654 946645330 /nfs/dbraw/zinc/64/53/30/946645330.db2.gz KXKGYKLWXRNWDT-UHFFFAOYSA-N -1 3 385.225 3.060 20 0 GGADHM Brc1cc(N[C@@H]2CCOCC23CCCC3)ccc1-c1nnn[n-]1 ZINC001573279729 946647708 /nfs/dbraw/zinc/64/77/08/946647708.db2.gz MHLXRYZVWUNUQT-CQSZACIVSA-N -1 3 378.274 3.390 20 0 GGADHM Brc1cc(N[C@@H]2CCOCC23CCCC3)ccc1-c1nn[n-]n1 ZINC001573279729 946647712 /nfs/dbraw/zinc/64/77/12/946647712.db2.gz MHLXRYZVWUNUQT-CQSZACIVSA-N -1 3 378.274 3.390 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2CCC(c3ccncc3)CC2)c1 ZINC001573279786 946648106 /nfs/dbraw/zinc/64/81/06/946648106.db2.gz NFTMKKZXPVYKKC-UHFFFAOYSA-N -1 3 385.269 3.408 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2CCC(c3ccncc3)CC2)c1 ZINC001573279786 946648115 /nfs/dbraw/zinc/64/81/15/946648115.db2.gz NFTMKKZXPVYKKC-UHFFFAOYSA-N -1 3 385.269 3.408 20 0 GGADHM Brc1cc(N[C@H]2CCOCC23CCCC3)ccc1-c1nnn[n-]1 ZINC001573279727 946648540 /nfs/dbraw/zinc/64/85/40/946648540.db2.gz MHLXRYZVWUNUQT-AWEZNQCLSA-N -1 3 378.274 3.390 20 0 GGADHM Brc1cc(N[C@H]2CCOCC23CCCC3)ccc1-c1nn[n-]n1 ZINC001573279727 946648542 /nfs/dbraw/zinc/64/85/42/946648542.db2.gz MHLXRYZVWUNUQT-AWEZNQCLSA-N -1 3 378.274 3.390 20 0 GGADHM CC(C)OC(=O)C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824305648 946649214 /nfs/dbraw/zinc/64/92/14/946649214.db2.gz RUTJZDAAJBIYRH-SFHVURJKSA-N -1 3 383.427 3.178 20 0 GGADHM Brc1cc(N2CCCC[C@H]([C@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001573280030 946652266 /nfs/dbraw/zinc/65/22/66/946652266.db2.gz OGHOEOLYDPUAIS-STQMWFEESA-N -1 3 392.301 3.272 20 0 GGADHM Brc1cc(N2CCCC[C@H]([C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001573280030 946652270 /nfs/dbraw/zinc/65/22/70/946652270.db2.gz OGHOEOLYDPUAIS-STQMWFEESA-N -1 3 392.301 3.272 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000824319372 946656819 /nfs/dbraw/zinc/65/68/19/946656819.db2.gz NRGVCHSFKPRHQH-GFCCVEGCSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000824319372 946656827 /nfs/dbraw/zinc/65/68/27/946656827.db2.gz NRGVCHSFKPRHQH-GFCCVEGCSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824319124 946656900 /nfs/dbraw/zinc/65/69/00/946656900.db2.gz GSWFNJIOUWTTMB-GFCCVEGCSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000824319373 946657681 /nfs/dbraw/zinc/65/76/81/946657681.db2.gz NRGVCHSFKPRHQH-LBPRGKRZSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000824319373 946657691 /nfs/dbraw/zinc/65/76/91/946657691.db2.gz NRGVCHSFKPRHQH-LBPRGKRZSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1ncccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824337787 946662994 /nfs/dbraw/zinc/66/29/94/946662994.db2.gz HEXCZDRIQBLJMQ-UHFFFAOYSA-N -1 3 389.257 3.424 20 0 GGADHM CC(C)Oc1ncccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824337787 946662997 /nfs/dbraw/zinc/66/29/97/946662997.db2.gz HEXCZDRIQBLJMQ-UHFFFAOYSA-N -1 3 389.257 3.424 20 0 GGADHM CC(C)c1cc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)no1 ZINC000824343115 946663871 /nfs/dbraw/zinc/66/38/71/946663871.db2.gz XGYKAYSVGHBDJA-UHFFFAOYSA-N -1 3 398.814 3.070 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC001573281102 946673152 /nfs/dbraw/zinc/67/31/52/946673152.db2.gz ZKSJIYBCHFWMMR-ABAIWWIYSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC001573281102 946673159 /nfs/dbraw/zinc/67/31/59/946673159.db2.gz ZKSJIYBCHFWMMR-ABAIWWIYSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC001573281103 946673288 /nfs/dbraw/zinc/67/32/88/946673288.db2.gz ZKSJIYBCHFWMMR-IAQYHMDHSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC001573281103 946673292 /nfs/dbraw/zinc/67/32/92/946673292.db2.gz ZKSJIYBCHFWMMR-IAQYHMDHSA-N -1 3 396.314 3.096 20 0 GGADHM C[C@@H](CCCc1ccccc1)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824402291 946682674 /nfs/dbraw/zinc/68/26/74/946682674.db2.gz VGPOTHKCDIQLHT-HNNXBMFYSA-N -1 3 393.447 3.007 20 0 GGADHM C[C@@H](CCCc1ccccc1)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824402291 946682683 /nfs/dbraw/zinc/68/26/83/946682683.db2.gz VGPOTHKCDIQLHT-HNNXBMFYSA-N -1 3 393.447 3.007 20 0 GGADHM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)cc1Br)c1nccs1 ZINC000824412978 946693283 /nfs/dbraw/zinc/69/32/83/946693283.db2.gz IAKHWSFMOLEMGB-VIFPVBQESA-N -1 3 379.287 3.326 20 0 GGADHM C[C@@H](NC(=O)C1(O)CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470062 946719530 /nfs/dbraw/zinc/71/95/30/946719530.db2.gz FREFMXUKLFHONC-CQSZACIVSA-N -1 3 377.448 3.016 20 0 GGADHM C[C@@H](NC(=O)C1(O)CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470062 946719545 /nfs/dbraw/zinc/71/95/45/946719545.db2.gz FREFMXUKLFHONC-CQSZACIVSA-N -1 3 377.448 3.016 20 0 GGADHM C[C@H](NC(=O)[C@@H]1CCSC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472532 946724824 /nfs/dbraw/zinc/72/48/24/946724824.db2.gz WOKUKEWLOFELRZ-SCLBCKFNSA-N -1 3 379.489 3.464 20 0 GGADHM C[C@H](NC(=O)[C@@H]1CCSC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472532 946724832 /nfs/dbraw/zinc/72/48/32/946724832.db2.gz WOKUKEWLOFELRZ-SCLBCKFNSA-N -1 3 379.489 3.464 20 0 GGADHM C[C@H](NC(=O)[C@H]1CCSC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472533 946725901 /nfs/dbraw/zinc/72/59/01/946725901.db2.gz WOKUKEWLOFELRZ-UGSOOPFHSA-N -1 3 379.489 3.464 20 0 GGADHM C[C@H](NC(=O)[C@H]1CCSC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472533 946725906 /nfs/dbraw/zinc/72/59/06/946725906.db2.gz WOKUKEWLOFELRZ-UGSOOPFHSA-N -1 3 379.489 3.464 20 0 GGADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479646 946729481 /nfs/dbraw/zinc/72/94/81/946729481.db2.gz PGPUQYBBRHSCFA-RCDICMHDSA-N -1 3 391.475 3.262 20 0 GGADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479646 946729488 /nfs/dbraw/zinc/72/94/88/946729488.db2.gz PGPUQYBBRHSCFA-RCDICMHDSA-N -1 3 391.475 3.262 20 0 GGADHM C[C@@H](NC(=O)C=Cc1cnccn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479414 946729618 /nfs/dbraw/zinc/72/96/18/946729618.db2.gz NCTIEWYPPOAGAY-FJVVXJACSA-N -1 3 397.442 3.214 20 0 GGADHM C[C@@H](NC(=O)C=Cc1cnccn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479414 946729635 /nfs/dbraw/zinc/72/96/35/946729635.db2.gz NCTIEWYPPOAGAY-FJVVXJACSA-N -1 3 397.442 3.214 20 0 GGADHM CC(C)[C@H](O)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479671 946730688 /nfs/dbraw/zinc/73/06/88/946730688.db2.gz PNHKDLNLPDGQGJ-AUUYWEPGSA-N -1 3 379.464 3.118 20 0 GGADHM CC(C)[C@H](O)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479671 946730697 /nfs/dbraw/zinc/73/06/97/946730697.db2.gz PNHKDLNLPDGQGJ-AUUYWEPGSA-N -1 3 379.464 3.118 20 0 GGADHM C[C@@H](NC(=O)C[C@@H]1CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480347 946733628 /nfs/dbraw/zinc/73/36/28/946733628.db2.gz WFQRWFTUNMNBFM-CABCVRRESA-N -1 3 377.448 3.138 20 0 GGADHM C[C@@H](NC(=O)C[C@@H]1CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480347 946733640 /nfs/dbraw/zinc/73/36/40/946733640.db2.gz WFQRWFTUNMNBFM-CABCVRRESA-N -1 3 377.448 3.138 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(C(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506074 946751142 /nfs/dbraw/zinc/75/11/42/946751142.db2.gz KVZDHUZWKVIEMY-VIFPVBQESA-N -1 3 377.330 3.163 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(C(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506074 946751152 /nfs/dbraw/zinc/75/11/52/946751152.db2.gz KVZDHUZWKVIEMY-VIFPVBQESA-N -1 3 377.330 3.163 20 0 GGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC000824522093 946761533 /nfs/dbraw/zinc/76/15/33/946761533.db2.gz PZOLYIGTSOPTRY-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000824522093 946761544 /nfs/dbraw/zinc/76/15/44/946761544.db2.gz PZOLYIGTSOPTRY-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824537244 946772724 /nfs/dbraw/zinc/77/27/24/946772724.db2.gz CQAZLRMFRFYUSN-ACJLOTCBSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824537244 946772731 /nfs/dbraw/zinc/77/27/31/946772731.db2.gz CQAZLRMFRFYUSN-ACJLOTCBSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824538487 946777871 /nfs/dbraw/zinc/77/78/71/946777871.db2.gz JIZVVLUVNJOROY-SGTLLEGYSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824538487 946777877 /nfs/dbraw/zinc/77/78/77/946777877.db2.gz JIZVVLUVNJOROY-SGTLLEGYSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@@H](N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824539671 946779669 /nfs/dbraw/zinc/77/96/69/946779669.db2.gz PDULBQBXMFNVIW-FZKQIMNGSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@@H](N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824539671 946779680 /nfs/dbraw/zinc/77/96/80/946779680.db2.gz PDULBQBXMFNVIW-FZKQIMNGSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824540225 946780084 /nfs/dbraw/zinc/78/00/84/946780084.db2.gz UEOMKJVOUXJUIO-SCLBCKFNSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540225 946780099 /nfs/dbraw/zinc/78/00/99/946780099.db2.gz UEOMKJVOUXJUIO-SCLBCKFNSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824540548 946784296 /nfs/dbraw/zinc/78/42/96/946784296.db2.gz ZZGKOIGYEBDYMC-UGSOOPFHSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824540548 946784304 /nfs/dbraw/zinc/78/43/04/946784304.db2.gz ZZGKOIGYEBDYMC-UGSOOPFHSA-N -1 3 377.427 3.180 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573547764 946838452 /nfs/dbraw/zinc/83/84/52/946838452.db2.gz TUUIPXAXAZGFCG-LLVKDONJSA-N -1 3 398.854 3.296 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573547764 946838458 /nfs/dbraw/zinc/83/84/58/946838458.db2.gz TUUIPXAXAZGFCG-LLVKDONJSA-N -1 3 398.854 3.296 20 0 GGADHM C[C@H](NCc1c(Cl)n(C)nc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824605507 946858392 /nfs/dbraw/zinc/85/83/92/946858392.db2.gz IYUOIXUGCHTCAC-QMMMGPOBSA-N -1 3 385.781 3.123 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001573551075 946866764 /nfs/dbraw/zinc/86/67/64/946866764.db2.gz GKBXKDWEYDRXPK-UONOGXRCSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001573551075 946866777 /nfs/dbraw/zinc/86/67/77/946866777.db2.gz GKBXKDWEYDRXPK-UONOGXRCSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCOc1ccc(C)cc1 ZINC001573550812 946869588 /nfs/dbraw/zinc/86/95/88/946869588.db2.gz DNVJQTLFXVBNDD-UHFFFAOYSA-N -1 3 379.420 3.175 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCOc1ccc(C)cc1 ZINC001573550812 946869597 /nfs/dbraw/zinc/86/95/97/946869597.db2.gz DNVJQTLFXVBNDD-UHFFFAOYSA-N -1 3 379.420 3.175 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC001573551455 946871017 /nfs/dbraw/zinc/87/10/17/946871017.db2.gz JFDQOLDEGMVRKU-GFCCVEGCSA-N -1 3 399.838 3.437 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC001573551455 946871032 /nfs/dbraw/zinc/87/10/32/946871032.db2.gz JFDQOLDEGMVRKU-GFCCVEGCSA-N -1 3 399.838 3.437 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC001573551471 946871410 /nfs/dbraw/zinc/87/14/10/946871410.db2.gz JFDQOLDEGMVRKU-LBPRGKRZSA-N -1 3 399.838 3.437 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC001573551471 946871420 /nfs/dbraw/zinc/87/14/20/946871420.db2.gz JFDQOLDEGMVRKU-LBPRGKRZSA-N -1 3 399.838 3.437 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001573552452 946874208 /nfs/dbraw/zinc/87/42/08/946874208.db2.gz PGBXXHCDUTVOGS-CQSZACIVSA-N -1 3 380.404 3.059 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cccc(C(F)F)c1F ZINC001573552687 946877217 /nfs/dbraw/zinc/87/72/17/946877217.db2.gz AINRVDRZVIOKRG-UHFFFAOYSA-N -1 3 375.310 3.398 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cccc(C(F)F)c1F ZINC001573552687 946877229 /nfs/dbraw/zinc/87/72/29/946877229.db2.gz AINRVDRZVIOKRG-UHFFFAOYSA-N -1 3 375.310 3.398 20 0 GGADHM CC(=O)c1c(C)cc(C)c(Cn2nnc(-c3ccccc3)c2-c2nnn[n-]2)c1C ZINC001573552464 946878152 /nfs/dbraw/zinc/87/81/52/946878152.db2.gz PKOLNOGFGLYGRG-UHFFFAOYSA-N -1 3 387.447 3.301 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC001573552599 946878190 /nfs/dbraw/zinc/87/81/90/946878190.db2.gz RZHKIRXLCYTNKV-UHFFFAOYSA-N -1 3 399.838 3.357 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC001573552599 946878203 /nfs/dbraw/zinc/87/82/03/946878203.db2.gz RZHKIRXLCYTNKV-UHFFFAOYSA-N -1 3 399.838 3.357 20 0 GGADHM CC(=O)c1ccc(Br)cc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC001573552971 946880444 /nfs/dbraw/zinc/88/04/44/946880444.db2.gz CLEKRCQZGQDFGL-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1ccc(Br)cc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC001573552971 946880459 /nfs/dbraw/zinc/88/04/59/946880459.db2.gz CLEKRCQZGQDFGL-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)C1(C)C ZINC001573552903 946881442 /nfs/dbraw/zinc/88/14/42/946881442.db2.gz UIYHPZCXIGXIQS-WDEREUQCSA-N -1 3 387.509 3.342 20 0 GGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)C1(C)C ZINC001573552903 946881457 /nfs/dbraw/zinc/88/14/57/946881457.db2.gz UIYHPZCXIGXIQS-WDEREUQCSA-N -1 3 387.509 3.342 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(F)cc2ccncc21 ZINC001573553610 946889397 /nfs/dbraw/zinc/88/93/97/946889397.db2.gz YWVFVVMEHBAUNP-UHFFFAOYSA-N -1 3 376.351 3.009 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(F)cc2ccncc21 ZINC001573553610 946889417 /nfs/dbraw/zinc/88/94/17/946889417.db2.gz YWVFVVMEHBAUNP-UHFFFAOYSA-N -1 3 376.351 3.009 20 0 GGADHM C[C@@H](Nc1ncnc2c1ncn2C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824670131 946890685 /nfs/dbraw/zinc/89/06/85/946890685.db2.gz KRXRVAZLQKLYKN-CYBMUJFWSA-N -1 3 397.446 3.384 20 0 GGADHM C[C@@H](Nc1ncnc2c1ncn2C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824670131 946890698 /nfs/dbraw/zinc/89/06/98/946890698.db2.gz KRXRVAZLQKLYKN-CYBMUJFWSA-N -1 3 397.446 3.384 20 0 GGADHM C[C@@](O)(CNc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824677551 946892334 /nfs/dbraw/zinc/89/23/34/946892334.db2.gz FYGKQKWGPBWBSW-MRXNPFEDSA-N -1 3 392.232 3.088 20 0 GGADHM C[C@@](O)(CNc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824677551 946892344 /nfs/dbraw/zinc/89/23/44/946892344.db2.gz FYGKQKWGPBWBSW-MRXNPFEDSA-N -1 3 392.232 3.088 20 0 GGADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCC(=O)Nc1ccc(Cl)cc1C ZINC001573555213 946906259 /nfs/dbraw/zinc/90/62/59/946906259.db2.gz GMLZFBAXDQXFRD-UHFFFAOYSA-N -1 3 385.811 3.049 20 0 GGADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCC(=O)Nc1ccc(Cl)cc1C ZINC001573555213 946906266 /nfs/dbraw/zinc/90/62/66/946906266.db2.gz GMLZFBAXDQXFRD-UHFFFAOYSA-N -1 3 385.811 3.049 20 0 GGADHM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000824714609 946909615 /nfs/dbraw/zinc/90/96/15/946909615.db2.gz OPVCRMDEKKTTCE-UGSOOPFHSA-N -1 3 381.411 3.279 20 0 GGADHM CC(=O)c1ccc(CNc2cc(Br)ccc2-c2nnn[n-]2)nc1C ZINC001573555834 946917807 /nfs/dbraw/zinc/91/78/07/946917807.db2.gz GHUDXXJLXUJSOJ-UHFFFAOYSA-N -1 3 387.241 3.147 20 0 GGADHM CC(=O)c1ccc(CNc2cc(Br)ccc2-c2nn[n-]n2)nc1C ZINC001573555834 946917816 /nfs/dbraw/zinc/91/78/16/946917816.db2.gz GHUDXXJLXUJSOJ-UHFFFAOYSA-N -1 3 387.241 3.147 20 0 GGADHM CC(=O)c1ccc2nc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)sc2c1 ZINC001573556151 946923992 /nfs/dbraw/zinc/92/39/92/946923992.db2.gz YMGOXHSCCMDRBX-VQHVLOKHSA-N -1 3 390.428 3.331 20 0 GGADHM CC(=O)c1ccc2nc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)sc2c1 ZINC001573556151 946923994 /nfs/dbraw/zinc/92/39/94/946923994.db2.gz YMGOXHSCCMDRBX-VQHVLOKHSA-N -1 3 390.428 3.331 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)NC1CCCC1 ZINC000824754031 946925957 /nfs/dbraw/zinc/92/59/57/946925957.db2.gz HKNKUVWPRVYFFF-VIFPVBQESA-N -1 3 385.415 3.425 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)NC1CCCC1 ZINC000824754031 946925964 /nfs/dbraw/zinc/92/59/64/946925964.db2.gz HKNKUVWPRVYFFF-VIFPVBQESA-N -1 3 385.415 3.425 20 0 GGADHM CC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001573556850 946931015 /nfs/dbraw/zinc/93/10/15/946931015.db2.gz WQHVYBAGTWDUBV-NSHDSACASA-N -1 3 386.795 3.096 20 0 GGADHM CC1(C)CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824807280 946936456 /nfs/dbraw/zinc/93/64/56/946936456.db2.gz HKMWHDZHGIFZEJ-UHFFFAOYSA-N -1 3 386.847 3.112 20 0 GGADHM CC1(C)CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824807280 946936462 /nfs/dbraw/zinc/93/64/62/946936462.db2.gz HKMWHDZHGIFZEJ-UHFFFAOYSA-N -1 3 386.847 3.112 20 0 GGADHM CC(=O)c1ccccc1NC(=O)CSc1c(Cl)cccc1-c1nnn[n-]1 ZINC001573558528 946940033 /nfs/dbraw/zinc/94/00/33/946940033.db2.gz MGAFQMHHJPFIFA-UHFFFAOYSA-N -1 3 387.852 3.454 20 0 GGADHM CC(=O)c1ccccc1NC(=O)CSc1c(Cl)cccc1-c1nn[n-]n1 ZINC001573558528 946940040 /nfs/dbraw/zinc/94/00/40/946940040.db2.gz MGAFQMHHJPFIFA-UHFFFAOYSA-N -1 3 387.852 3.454 20 0 GGADHM CC1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)CCCC1 ZINC000824830285 946947920 /nfs/dbraw/zinc/94/79/20/946947920.db2.gz IZURTDFDYDJAIS-UHFFFAOYSA-N -1 3 386.847 3.160 20 0 GGADHM CC1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)CCCC1 ZINC000824830285 946947925 /nfs/dbraw/zinc/94/79/25/946947925.db2.gz IZURTDFDYDJAIS-UHFFFAOYSA-N -1 3 386.847 3.160 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000824864339 946954878 /nfs/dbraw/zinc/95/48/78/946954878.db2.gz AKVGAHCYHAXXLY-UKRRQHHQSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000824864339 946954883 /nfs/dbraw/zinc/95/48/83/946954883.db2.gz AKVGAHCYHAXXLY-UKRRQHHQSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000824864318 946955143 /nfs/dbraw/zinc/95/51/43/946955143.db2.gz AHGPOPGIKWCFLI-ZFWWWQNUSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824864318 946955148 /nfs/dbraw/zinc/95/51/48/946955148.db2.gz AHGPOPGIKWCFLI-ZFWWWQNUSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824864528 946957376 /nfs/dbraw/zinc/95/73/76/946957376.db2.gz BPPGYKOGSVKYMZ-UKRRQHHQSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824864528 946957382 /nfs/dbraw/zinc/95/73/82/946957382.db2.gz BPPGYKOGSVKYMZ-UKRRQHHQSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825006754 947038968 /nfs/dbraw/zinc/03/89/68/947038968.db2.gz PADSZGWVLPNCLR-LLVKDONJSA-N -1 3 384.827 3.335 20 0 GGADHM C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825006754 947038979 /nfs/dbraw/zinc/03/89/79/947038979.db2.gz PADSZGWVLPNCLR-LLVKDONJSA-N -1 3 384.827 3.335 20 0 GGADHM C[C@H]1COc2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825006235 947040506 /nfs/dbraw/zinc/04/05/06/947040506.db2.gz GVNTYESSEZGPDC-NSHDSACASA-N -1 3 384.827 3.335 20 0 GGADHM C[C@H]1COc2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825006235 947040520 /nfs/dbraw/zinc/04/05/20/947040520.db2.gz GVNTYESSEZGPDC-NSHDSACASA-N -1 3 384.827 3.335 20 0 GGADHM CC[C@@](C)(NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC000825043690 947059091 /nfs/dbraw/zinc/05/90/91/947059091.db2.gz JORWWUNFJILUFK-MRXNPFEDSA-N -1 3 376.873 3.340 20 0 GGADHM CC[C@@](C)(NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC000825043690 947059104 /nfs/dbraw/zinc/05/91/04/947059104.db2.gz JORWWUNFJILUFK-MRXNPFEDSA-N -1 3 376.873 3.340 20 0 GGADHM CCC(C)(CC)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825044426 947060289 /nfs/dbraw/zinc/06/02/89/947060289.db2.gz QIHBCOQPXAAESK-UHFFFAOYSA-N -1 3 388.863 3.406 20 0 GGADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825060110 947061888 /nfs/dbraw/zinc/06/18/88/947061888.db2.gz NLKSZCAUEAREIX-MNOVXSKESA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@H](C)CN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825060564 947063716 /nfs/dbraw/zinc/06/37/16/947063716.db2.gz QZOUQSAIDSIXHL-NSHDSACASA-N -1 3 388.863 3.216 20 0 GGADHM CC[C@H](C)CN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825060564 947063726 /nfs/dbraw/zinc/06/37/26/947063726.db2.gz QZOUQSAIDSIXHL-NSHDSACASA-N -1 3 388.863 3.216 20 0 GGADHM CC[C@@H]1CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2cccc(Cl)c2O1 ZINC000825211642 947119855 /nfs/dbraw/zinc/11/98/55/947119855.db2.gz NSQRWJBWNUQHNZ-PBHICJAKSA-N -1 3 385.855 3.231 20 0 GGADHM CC[C@@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2cccc(Cl)c2O1 ZINC000825211642 947119860 /nfs/dbraw/zinc/11/98/60/947119860.db2.gz NSQRWJBWNUQHNZ-PBHICJAKSA-N -1 3 385.855 3.231 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000825220456 947123028 /nfs/dbraw/zinc/12/30/28/947123028.db2.gz UMRAEJLRPJKWAE-MRXNPFEDSA-N -1 3 397.504 3.460 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000825220393 947124494 /nfs/dbraw/zinc/12/44/94/947124494.db2.gz SCVIQJNBICVCSP-HNNXBMFYSA-N -1 3 383.477 3.151 20 0 GGADHM CCC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825247959 947131439 /nfs/dbraw/zinc/13/14/39/947131439.db2.gz JSFPYIRWPCIBGI-AUUYWEPGSA-N -1 3 394.479 3.055 20 0 GGADHM CCC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825247959 947131443 /nfs/dbraw/zinc/13/14/43/947131443.db2.gz JSFPYIRWPCIBGI-AUUYWEPGSA-N -1 3 394.479 3.055 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2c1OCO2 ZINC000825319059 947150575 /nfs/dbraw/zinc/15/05/75/947150575.db2.gz WISYYKJMCJAASR-UHFFFAOYSA-N -1 3 380.408 3.040 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2c1OCO2 ZINC000825319059 947150597 /nfs/dbraw/zinc/15/05/97/947150597.db2.gz WISYYKJMCJAASR-UHFFFAOYSA-N -1 3 380.408 3.040 20 0 GGADHM CCCc1cnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000825348038 947161977 /nfs/dbraw/zinc/16/19/77/947161977.db2.gz AYHFZPKYYWGIGS-UHFFFAOYSA-N -1 3 383.481 3.472 20 0 GGADHM CCCc1cnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000825348038 947161984 /nfs/dbraw/zinc/16/19/84/947161984.db2.gz AYHFZPKYYWGIGS-UHFFFAOYSA-N -1 3 383.481 3.472 20 0 GGADHM CCN(CC)C(=O)CCC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000825399029 947174768 /nfs/dbraw/zinc/17/47/68/947174768.db2.gz FZPNXRAHIFPWRG-UHFFFAOYSA-N -1 3 390.919 3.385 20 0 GGADHM CCN(CC)C(=O)CCC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000825399029 947174779 /nfs/dbraw/zinc/17/47/79/947174779.db2.gz FZPNXRAHIFPWRG-UHFFFAOYSA-N -1 3 390.919 3.385 20 0 GGADHM CCOC(=O)[C@@]1(CCSc2cccc(Cl)c2-c2nnn[n-]2)CCCC1=O ZINC000825494126 947206091 /nfs/dbraw/zinc/20/60/91/947206091.db2.gz SZQIUKTWVNFCFK-QGZVFWFLSA-N -1 3 394.884 3.305 20 0 GGADHM CCOC(=O)[C@@]1(CCSc2cccc(Cl)c2-c2nn[n-]n2)CCCC1=O ZINC000825494126 947206097 /nfs/dbraw/zinc/20/60/97/947206097.db2.gz SZQIUKTWVNFCFK-QGZVFWFLSA-N -1 3 394.884 3.305 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)nc2C)cc1-c1nnn[n-]1 ZINC000825539158 947215464 /nfs/dbraw/zinc/21/54/64/947215464.db2.gz NKTKMLQMGZZNDJ-UHFFFAOYSA-N -1 3 396.411 3.091 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)nc2C)cc1-c1nn[n-]n1 ZINC000825539158 947215469 /nfs/dbraw/zinc/21/54/69/947215469.db2.gz NKTKMLQMGZZNDJ-UHFFFAOYSA-N -1 3 396.411 3.091 20 0 GGADHM CCOC(=O)Nc1ccc(N[C@H]2C[C@@H](OCC)C23CCC3)cc1-c1nnn[n-]1 ZINC000825553845 947219748 /nfs/dbraw/zinc/21/97/48/947219748.db2.gz YAPIFJGQYNFYOW-JKSUJKDBSA-N -1 3 386.456 3.195 20 0 GGADHM CCOC(=O)Nc1ccc(N[C@H]2C[C@@H](OCC)C23CCC3)cc1-c1nn[n-]n1 ZINC000825553845 947219757 /nfs/dbraw/zinc/21/97/57/947219757.db2.gz YAPIFJGQYNFYOW-JKSUJKDBSA-N -1 3 386.456 3.195 20 0 GGADHM CCO[C@H](CC)C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825576863 947240892 /nfs/dbraw/zinc/24/08/92/947240892.db2.gz PASCEFGNWPWNFE-LEOMRAHMSA-N -1 3 387.484 3.257 20 0 GGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825648861 947269338 /nfs/dbraw/zinc/26/93/38/947269338.db2.gz FCLNBSPKYALMPT-ROUUACIJSA-N -1 3 395.488 3.030 20 0 GGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825648861 947269350 /nfs/dbraw/zinc/26/93/50/947269350.db2.gz FCLNBSPKYALMPT-ROUUACIJSA-N -1 3 395.488 3.030 20 0 GGADHM CCOc1cccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)n1 ZINC000825648897 947269624 /nfs/dbraw/zinc/26/96/24/947269624.db2.gz FZLFBQRASGZZHH-UHFFFAOYSA-N -1 3 396.842 3.112 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000825668115 947283432 /nfs/dbraw/zinc/28/34/32/947283432.db2.gz BFFUIPGDIDXKGG-SECBINFHSA-N -1 3 394.892 3.057 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000825668115 947283442 /nfs/dbraw/zinc/28/34/42/947283442.db2.gz BFFUIPGDIDXKGG-SECBINFHSA-N -1 3 394.892 3.057 20 0 GGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111658 947433170 /nfs/dbraw/zinc/43/31/70/947433170.db2.gz JLOVQGYTXIOKOK-MOPGFXCFSA-N -1 3 377.448 3.130 20 0 GGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111658 947433175 /nfs/dbraw/zinc/43/31/75/947433175.db2.gz JLOVQGYTXIOKOK-MOPGFXCFSA-N -1 3 377.448 3.130 20 0 GGADHM COC(=O)[C@@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117545 947438622 /nfs/dbraw/zinc/43/86/22/947438622.db2.gz MZYWGUICQLROBB-RMHQSFGDSA-N -1 3 392.415 3.036 20 0 GGADHM COC(=O)[C@@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117545 947438627 /nfs/dbraw/zinc/43/86/27/947438627.db2.gz MZYWGUICQLROBB-RMHQSFGDSA-N -1 3 392.415 3.036 20 0 GGADHM COC[C@H](C)CC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826148878 947476463 /nfs/dbraw/zinc/47/64/63/947476463.db2.gz SSXNVJWLJBYNLN-NVPAJSRCSA-N -1 3 387.484 3.114 20 0 GGADHM COC[C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826148242 947477191 /nfs/dbraw/zinc/47/71/91/947477191.db2.gz CUUNNKYYJGTZNB-HUUCEWRRSA-N -1 3 394.479 3.176 20 0 GGADHM COC[C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826148242 947477197 /nfs/dbraw/zinc/47/71/97/947477197.db2.gz CUUNNKYYJGTZNB-HUUCEWRRSA-N -1 3 394.479 3.176 20 0 GGADHM COCC1(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826152780 947483344 /nfs/dbraw/zinc/48/33/44/947483344.db2.gz NGTVMGXHAHPXKB-CQSZACIVSA-N -1 3 377.448 3.138 20 0 GGADHM COCC1(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826152780 947483352 /nfs/dbraw/zinc/48/33/52/947483352.db2.gz NGTVMGXHAHPXKB-CQSZACIVSA-N -1 3 377.448 3.138 20 0 GGADHM COCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826154530 947485063 /nfs/dbraw/zinc/48/50/63/947485063.db2.gz RCJCUBLLWPEWPH-CABCVRRESA-N -1 3 394.479 3.319 20 0 GGADHM COCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826154530 947485074 /nfs/dbraw/zinc/48/50/74/947485074.db2.gz RCJCUBLLWPEWPH-CABCVRRESA-N -1 3 394.479 3.319 20 0 GGADHM COCCCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826156073 947490535 /nfs/dbraw/zinc/49/05/35/947490535.db2.gz OJYLTMNMEXUVAZ-HNNXBMFYSA-N -1 3 394.479 3.273 20 0 GGADHM COCCCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826156073 947490547 /nfs/dbraw/zinc/49/05/47/947490547.db2.gz OJYLTMNMEXUVAZ-HNNXBMFYSA-N -1 3 394.479 3.273 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000826175519 947544797 /nfs/dbraw/zinc/54/47/97/947544797.db2.gz HVFRHOGTISZICQ-XIRDDKMYSA-N -1 3 399.495 3.071 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000826175519 947544806 /nfs/dbraw/zinc/54/48/06/947544806.db2.gz HVFRHOGTISZICQ-XIRDDKMYSA-N -1 3 399.495 3.071 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826184198 947565840 /nfs/dbraw/zinc/56/58/40/947565840.db2.gz NWRKUGLKWHFNKS-UHFFFAOYSA-N -1 3 396.451 3.242 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826184198 947565848 /nfs/dbraw/zinc/56/58/48/947565848.db2.gz NWRKUGLKWHFNKS-UHFFFAOYSA-N -1 3 396.451 3.242 20 0 GGADHM COc1ccc(CNc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000826204129 947605087 /nfs/dbraw/zinc/60/50/87/947605087.db2.gz ZBACUTPLLNAGTQ-GASCZTMLSA-N -1 3 394.479 3.101 20 0 GGADHM COc1ccc(CNc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000826204129 947605093 /nfs/dbraw/zinc/60/50/93/947605093.db2.gz ZBACUTPLLNAGTQ-GASCZTMLSA-N -1 3 394.479 3.101 20 0 GGADHM COc1ccc(CNc2nnc(Cc3cccc(F)c3)s2)cc1-c1nnn[n-]1 ZINC000826204268 947605731 /nfs/dbraw/zinc/60/57/31/947605731.db2.gz DTQANSQZXKTWML-UHFFFAOYSA-N -1 3 397.439 3.069 20 0 GGADHM COc1ccc(CNc2nnc(Cc3cccc(F)c3)s2)cc1-c1nn[n-]n1 ZINC000826204268 947605741 /nfs/dbraw/zinc/60/57/41/947605741.db2.gz DTQANSQZXKTWML-UHFFFAOYSA-N -1 3 397.439 3.069 20 0 GGADHM COc1ccc(COC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1SC(F)(F)F ZINC000826205716 947608848 /nfs/dbraw/zinc/60/88/48/947608848.db2.gz IVTJOAVEQNJGMZ-UHFFFAOYSA-N -1 3 399.354 3.172 20 0 GGADHM COc1ccc(COC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1SC(F)(F)F ZINC000826205716 947608856 /nfs/dbraw/zinc/60/88/56/947608856.db2.gz IVTJOAVEQNJGMZ-UHFFFAOYSA-N -1 3 399.354 3.172 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c21 ZINC000826217522 947639994 /nfs/dbraw/zinc/63/99/94/947639994.db2.gz QIVLVRICYRUBNP-UHFFFAOYSA-N -1 3 382.811 3.191 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c21 ZINC000826217522 947640001 /nfs/dbraw/zinc/64/00/01/947640001.db2.gz QIVLVRICYRUBNP-UHFFFAOYSA-N -1 3 382.811 3.191 20 0 GGADHM COc1cccc2c1CCN(c1c(-c3nnn[n-]3)cnc3c(F)cc(F)cc31)C2 ZINC000826218365 947646400 /nfs/dbraw/zinc/64/64/00/947646400.db2.gz ZVVSACWGULPUFB-UHFFFAOYSA-N -1 3 394.385 3.264 20 0 GGADHM COc1cccc2c1CCN(c1c(-c3nn[n-]n3)cnc3c(F)cc(F)cc31)C2 ZINC000826218365 947646405 /nfs/dbraw/zinc/64/64/05/947646405.db2.gz ZVVSACWGULPUFB-UHFFFAOYSA-N -1 3 394.385 3.264 20 0 GGADHM CC(=CC(=O)N(C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC001573359042 947676386 /nfs/dbraw/zinc/67/63/86/947676386.db2.gz VDZAROJWRJTOIQ-GFBZKKKVSA-N -1 3 397.866 3.115 20 0 GGADHM CC(=CC(=O)N(C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC001573359042 947676388 /nfs/dbraw/zinc/67/63/88/947676388.db2.gz VDZAROJWRJTOIQ-GFBZKKKVSA-N -1 3 397.866 3.115 20 0 GGADHM CC(=CC(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC001573359044 947676546 /nfs/dbraw/zinc/67/65/46/947676546.db2.gz VDZAROJWRJTOIQ-LVMGUKCRSA-N -1 3 397.866 3.115 20 0 GGADHM CC(=CC(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC001573359044 947676549 /nfs/dbraw/zinc/67/65/49/947676549.db2.gz VDZAROJWRJTOIQ-LVMGUKCRSA-N -1 3 397.866 3.115 20 0 GGADHM CC(=CC(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC001573359041 947677319 /nfs/dbraw/zinc/67/73/19/947677319.db2.gz VDZAROJWRJTOIQ-ADYSOMBNSA-N -1 3 397.866 3.115 20 0 GGADHM CC(=CC(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC001573359041 947677328 /nfs/dbraw/zinc/67/73/28/947677328.db2.gz VDZAROJWRJTOIQ-ADYSOMBNSA-N -1 3 397.866 3.115 20 0 GGADHM Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826234782 947686813 /nfs/dbraw/zinc/68/68/13/947686813.db2.gz NSOWHSUSPOPVKV-GFCCVEGCSA-N -1 3 391.387 3.105 20 0 GGADHM Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826234782 947686816 /nfs/dbraw/zinc/68/68/16/947686816.db2.gz NSOWHSUSPOPVKV-GFCCVEGCSA-N -1 3 391.387 3.105 20 0 GGADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1)c1ccccc1OC(F)F ZINC001573361498 947689907 /nfs/dbraw/zinc/68/99/07/947689907.db2.gz ACSATFMVOIUAFN-JXMROGBWSA-N -1 3 386.362 3.214 20 0 GGADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1)c1ccccc1OC(F)F ZINC001573361498 947689913 /nfs/dbraw/zinc/68/99/13/947689913.db2.gz ACSATFMVOIUAFN-JXMROGBWSA-N -1 3 386.362 3.214 20 0 GGADHM CC(=CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccs1 ZINC001573362316 947701841 /nfs/dbraw/zinc/70/18/41/947701841.db2.gz JMILMLVOQBQSJW-ZHACJKMWSA-N -1 3 395.423 3.295 20 0 GGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826238798 947706381 /nfs/dbraw/zinc/70/63/81/947706381.db2.gz PORCRYHRAXNMFN-LKFCYVNXSA-N -1 3 376.823 3.287 20 0 GGADHM Cc1c(Cl)cnc(N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826238798 947706388 /nfs/dbraw/zinc/70/63/88/947706388.db2.gz PORCRYHRAXNMFN-LKFCYVNXSA-N -1 3 376.823 3.287 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc(OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826239771 947709565 /nfs/dbraw/zinc/70/95/65/947709565.db2.gz PQLOLGPFMJTHTH-OAHLLOKOSA-N -1 3 388.859 3.156 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc(OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826239771 947709579 /nfs/dbraw/zinc/70/95/79/947709579.db2.gz PQLOLGPFMJTHTH-OAHLLOKOSA-N -1 3 388.859 3.156 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826239384 947709662 /nfs/dbraw/zinc/70/96/62/947709662.db2.gz GDXGQAGCDUXXIR-LBPRGKRZSA-N -1 3 398.776 3.388 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826239384 947709669 /nfs/dbraw/zinc/70/96/69/947709669.db2.gz GDXGQAGCDUXXIR-LBPRGKRZSA-N -1 3 398.776 3.388 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1cccs1 ZINC001573363908 947716163 /nfs/dbraw/zinc/71/61/63/947716163.db2.gz OHKJMOOVLUJEEH-UTEVDWOZSA-N -1 3 380.477 3.490 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1cccs1 ZINC001573363908 947716170 /nfs/dbraw/zinc/71/61/70/947716170.db2.gz OHKJMOOVLUJEEH-UTEVDWOZSA-N -1 3 380.477 3.490 20 0 GGADHM CC(=CC(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1)c1ccc(F)cc1 ZINC001573364914 947724522 /nfs/dbraw/zinc/72/45/22/947724522.db2.gz RUXFKJOCTGMMOL-XFXZXTDPSA-N -1 3 378.411 3.308 20 0 GGADHM CC(=CC(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1)c1ccc(F)cc1 ZINC001573364914 947724533 /nfs/dbraw/zinc/72/45/33/947724533.db2.gz RUXFKJOCTGMMOL-XFXZXTDPSA-N -1 3 378.411 3.308 20 0 GGADHM CC(=CC(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1)c1ccc(F)cc1 ZINC001573364891 947724751 /nfs/dbraw/zinc/72/47/51/947724751.db2.gz RUXFKJOCTGMMOL-FMIVXFBMSA-N -1 3 378.411 3.308 20 0 GGADHM CC(=CC(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1)c1ccc(F)cc1 ZINC001573364891 947724758 /nfs/dbraw/zinc/72/47/58/947724758.db2.gz RUXFKJOCTGMMOL-FMIVXFBMSA-N -1 3 378.411 3.308 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001573365556 947731471 /nfs/dbraw/zinc/73/14/71/947731471.db2.gz MMMAWEHTXNRVAX-KTKRTIGZSA-N -1 3 390.325 3.202 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000826254541 947734353 /nfs/dbraw/zinc/73/43/53/947734353.db2.gz PYDHTXCSAWVZLL-UHFFFAOYSA-N -1 3 379.420 3.127 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000826254541 947734369 /nfs/dbraw/zinc/73/43/69/947734369.db2.gz PYDHTXCSAWVZLL-UHFFFAOYSA-N -1 3 379.420 3.127 20 0 GGADHM Cc1[nH]nc(C(=O)OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3C)CC2)c1C ZINC000826255044 947735530 /nfs/dbraw/zinc/73/55/30/947735530.db2.gz JLWGXGNNRXOYEP-UHFFFAOYSA-N -1 3 395.467 3.095 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)c2cscn2)CC1 ZINC000826255319 947736113 /nfs/dbraw/zinc/73/61/13/947736113.db2.gz TUIJKIMWLJWROA-UHFFFAOYSA-N -1 3 384.465 3.212 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826256632 947741448 /nfs/dbraw/zinc/74/14/48/947741448.db2.gz SKCHMZMMXDEZLS-UHFFFAOYSA-N -1 3 386.253 3.143 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826256632 947741457 /nfs/dbraw/zinc/74/14/57/947741457.db2.gz SKCHMZMMXDEZLS-UHFFFAOYSA-N -1 3 386.253 3.143 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001573366505 947742639 /nfs/dbraw/zinc/74/26/39/947742639.db2.gz RPHINFDFHMERPJ-NTMALXAHSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001573366505 947742644 /nfs/dbraw/zinc/74/26/44/947742644.db2.gz RPHINFDFHMERPJ-NTMALXAHSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001573366535 947744428 /nfs/dbraw/zinc/74/44/28/947744428.db2.gz RWFUPDCWZYAHEN-CSKARUKUSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573366851 947747137 /nfs/dbraw/zinc/74/71/37/947747137.db2.gz UJUVMBIYFSZGQC-GDAGCXPBSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573366851 947747144 /nfs/dbraw/zinc/74/71/44/947747144.db2.gz UJUVMBIYFSZGQC-GDAGCXPBSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573366854 947747888 /nfs/dbraw/zinc/74/78/88/947747888.db2.gz UJUVMBIYFSZGQC-QSYFUGGGSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573366854 947747900 /nfs/dbraw/zinc/74/79/00/947747900.db2.gz UJUVMBIYFSZGQC-QSYFUGGGSA-N -1 3 377.326 3.283 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cc(=O)[nH]1 ZINC000826260236 947752685 /nfs/dbraw/zinc/75/26/85/947752685.db2.gz CGNCTECRAXIEIS-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000826260236 947752690 /nfs/dbraw/zinc/75/26/90/947752690.db2.gz CGNCTECRAXIEIS-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000826267998 947772682 /nfs/dbraw/zinc/77/26/82/947772682.db2.gz GBNAZHRBDMZPNL-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000826267998 947772689 /nfs/dbraw/zinc/77/26/89/947772689.db2.gz GBNAZHRBDMZPNL-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(NC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)nn1C ZINC000826270340 947782013 /nfs/dbraw/zinc/78/20/13/947782013.db2.gz WIOOMUIURRPTRG-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1cc(NC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nn1C ZINC000826270340 947782021 /nfs/dbraw/zinc/78/20/21/947782021.db2.gz WIOOMUIURRPTRG-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1cccc(F)n1 ZINC000826272215 947790119 /nfs/dbraw/zinc/79/01/19/947790119.db2.gz YYWHHOKWNXYNEV-UHFFFAOYSA-N -1 3 391.366 3.149 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826282742 947812190 /nfs/dbraw/zinc/81/21/90/947812190.db2.gz BSHYNOHIITZTKK-CJNGLKHVSA-N -1 3 398.492 3.081 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826282742 947812199 /nfs/dbraw/zinc/81/21/99/947812199.db2.gz BSHYNOHIITZTKK-CJNGLKHVSA-N -1 3 398.492 3.081 20 0 GGADHM Cc1ccc(C2CCN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000826285664 947822877 /nfs/dbraw/zinc/82/28/77/947822877.db2.gz GMCUEMGUDRZVAE-HNNXBMFYSA-N -1 3 391.479 3.220 20 0 GGADHM Cc1ccc(C2CCN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000826285664 947822885 /nfs/dbraw/zinc/82/28/85/947822885.db2.gz GMCUEMGUDRZVAE-HNNXBMFYSA-N -1 3 391.479 3.220 20 0 GGADHM Cc1ccc(C2CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)cn1 ZINC000826285858 947824719 /nfs/dbraw/zinc/82/47/19/947824719.db2.gz LUATYYRTYKMODQ-UHFFFAOYSA-N -1 3 389.385 3.368 20 0 GGADHM Cc1ccc(C2CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)cn1 ZINC000826285858 947824729 /nfs/dbraw/zinc/82/47/29/947824729.db2.gz LUATYYRTYKMODQ-UHFFFAOYSA-N -1 3 389.385 3.368 20 0 GGADHM Cc1ccc(CCC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000826287269 947831568 /nfs/dbraw/zinc/83/15/68/947831568.db2.gz JDEQZKFSLDVIJJ-UHFFFAOYSA-N -1 3 397.826 3.179 20 0 GGADHM Cc1ccc(CCC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000826287269 947831577 /nfs/dbraw/zinc/83/15/77/947831577.db2.gz JDEQZKFSLDVIJJ-UHFFFAOYSA-N -1 3 397.826 3.179 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)s1 ZINC000826287479 947832405 /nfs/dbraw/zinc/83/24/05/947832405.db2.gz QEMYLPUULIHXRC-UHFFFAOYSA-N -1 3 393.476 3.003 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)s1 ZINC000826287479 947832415 /nfs/dbraw/zinc/83/24/15/947832415.db2.gz QEMYLPUULIHXRC-UHFFFAOYSA-N -1 3 393.476 3.003 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826306126 947878582 /nfs/dbraw/zinc/87/85/82/947878582.db2.gz QXBQQAAUZHEEID-MSOLQXFVSA-N -1 3 379.464 3.112 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826306126 947878588 /nfs/dbraw/zinc/87/85/88/947878588.db2.gz QXBQQAAUZHEEID-MSOLQXFVSA-N -1 3 379.464 3.112 20 0 GGADHM Cc1ccccc1[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CC1 ZINC000826305955 947878682 /nfs/dbraw/zinc/87/86/82/947878682.db2.gz MVRXYVAJBRKRKG-IBGZPJMESA-N -1 3 387.447 3.466 20 0 GGADHM Cc1ccnc(N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311769 947903039 /nfs/dbraw/zinc/90/30/39/947903039.db2.gz MTYNIHWJSKMXBH-KXBFYZLASA-N -1 3 394.479 3.307 20 0 GGADHM Cc1ccnc(N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311769 947903045 /nfs/dbraw/zinc/90/30/45/947903045.db2.gz MTYNIHWJSKMXBH-KXBFYZLASA-N -1 3 394.479 3.307 20 0 GGADHM Cc1ccnc(N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826311882 947905034 /nfs/dbraw/zinc/90/50/34/947905034.db2.gz QDOTVAQAKTULDH-KGLIPLIRSA-N -1 3 387.488 3.018 20 0 GGADHM Cc1ccnc(N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826311882 947905037 /nfs/dbraw/zinc/90/50/37/947905037.db2.gz QDOTVAQAKTULDH-KGLIPLIRSA-N -1 3 387.488 3.018 20 0 GGADHM Cc1ccnc(N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826311884 947905256 /nfs/dbraw/zinc/90/52/56/947905256.db2.gz QDOTVAQAKTULDH-ZIAGYGMSSA-N -1 3 387.488 3.018 20 0 GGADHM Cc1ccnc(N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826311884 947905262 /nfs/dbraw/zinc/90/52/62/947905262.db2.gz QDOTVAQAKTULDH-ZIAGYGMSSA-N -1 3 387.488 3.018 20 0 GGADHM Cc1ccnc(Oc2cc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)ccc2C)c1 ZINC000826314689 947918397 /nfs/dbraw/zinc/91/83/97/947918397.db2.gz IVOFKACQESDIGY-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1ccnc(Oc2cc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)ccc2C)c1 ZINC000826314689 947918401 /nfs/dbraw/zinc/91/84/01/947918401.db2.gz IVOFKACQESDIGY-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826322049 947941196 /nfs/dbraw/zinc/94/11/96/947941196.db2.gz XXHBEINCAFPOOX-SFHVURJKSA-N -1 3 393.495 3.283 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826322049 947941200 /nfs/dbraw/zinc/94/12/00/947941200.db2.gz XXHBEINCAFPOOX-SFHVURJKSA-N -1 3 393.495 3.283 20 0 GGADHM Cc1nc(-c2ccc(CCNC(=O)c3ccc(-c4nnn[n-]4)cc3)s2)cs1 ZINC000826322698 947943527 /nfs/dbraw/zinc/94/35/27/947943527.db2.gz XXXAMUUQBIVKTN-UHFFFAOYSA-N -1 3 396.501 3.333 20 0 GGADHM Cc1nc(-c2ccc(CCNC(=O)c3ccc(-c4nn[n-]n4)cc3)s2)cs1 ZINC000826322698 947943535 /nfs/dbraw/zinc/94/35/35/947943535.db2.gz XXXAMUUQBIVKTN-UHFFFAOYSA-N -1 3 396.501 3.333 20 0 GGADHM Cc1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)c(C)n1 ZINC000826329786 947958889 /nfs/dbraw/zinc/95/88/89/947958889.db2.gz RJJCAWYWNAXGAS-ZDUSSCGKSA-N -1 3 399.458 3.432 20 0 GGADHM Cc1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)c(C)n1 ZINC000826329786 947958897 /nfs/dbraw/zinc/95/88/97/947958897.db2.gz RJJCAWYWNAXGAS-ZDUSSCGKSA-N -1 3 399.458 3.432 20 0 GGADHM Cc1noc(C)c1CCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826339059 947974675 /nfs/dbraw/zinc/97/46/75/947974675.db2.gz PUNWRVUSAAGKDY-UHFFFAOYSA-N -1 3 377.246 3.279 20 0 GGADHM Cc1noc(C)c1CCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826339059 947974678 /nfs/dbraw/zinc/97/46/78/947974678.db2.gz PUNWRVUSAAGKDY-UHFFFAOYSA-N -1 3 377.246 3.279 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000826349391 948093001 /nfs/dbraw/zinc/09/30/01/948093001.db2.gz GVECLNONRQPKOL-SECBINFHSA-N -1 3 392.435 3.113 20 0 GGADHM Clc1ccc(N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)cc1Cl ZINC000826351930 948099653 /nfs/dbraw/zinc/09/96/53/948099653.db2.gz HINJBPWQPOSCSX-SNVBAGLBSA-N -1 3 376.251 3.259 20 0 GGADHM Clc1ccc(N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)cc1Cl ZINC000826351930 948099663 /nfs/dbraw/zinc/09/96/63/948099663.db2.gz HINJBPWQPOSCSX-SNVBAGLBSA-N -1 3 376.251 3.259 20 0 GGADHM Clc1ccc(-n2ccc(NCc3coc(C4CC4)n3)n2)c(-c2nnn[n-]2)c1 ZINC000826351699 948100675 /nfs/dbraw/zinc/10/06/75/948100675.db2.gz WQCNTTLQDDZNHC-UHFFFAOYSA-N -1 3 382.815 3.183 20 0 GGADHM Clc1ccc(-n2ccc(NCc3coc(C4CC4)n3)n2)c(-c2nn[n-]n2)c1 ZINC000826351699 948100680 /nfs/dbraw/zinc/10/06/80/948100680.db2.gz WQCNTTLQDDZNHC-UHFFFAOYSA-N -1 3 382.815 3.183 20 0 GGADHM Clc1ccc(N2CCc3c(ncn3-c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826352275 948102706 /nfs/dbraw/zinc/10/27/06/948102706.db2.gz VPHQFEYXPPHVIR-UHFFFAOYSA-N -1 3 377.839 3.269 20 0 GGADHM Clc1ccc(N2CCc3c(ncn3-c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826352275 948102709 /nfs/dbraw/zinc/10/27/09/948102709.db2.gz VPHQFEYXPPHVIR-UHFFFAOYSA-N -1 3 377.839 3.269 20 0 GGADHM FC(F)(F)[C@@H](NCc1cnn(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826366856 948143370 /nfs/dbraw/zinc/14/33/70/948143370.db2.gz AUOGKONNJVPEJD-KRWDZBQOSA-N -1 3 399.380 3.446 20 0 GGADHM FC(F)(F)[C@@H](NCc1cnn(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826366856 948143380 /nfs/dbraw/zinc/14/33/80/948143380.db2.gz AUOGKONNJVPEJD-KRWDZBQOSA-N -1 3 399.380 3.446 20 0 GGADHM FC(F)(F)CSCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826367778 948146302 /nfs/dbraw/zinc/14/63/02/948146302.db2.gz NRJYRUNXMVWEGZ-UHFFFAOYSA-N -1 3 382.209 3.337 20 0 GGADHM FC(F)(F)CSCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826367778 948146309 /nfs/dbraw/zinc/14/63/09/948146309.db2.gz NRJYRUNXMVWEGZ-UHFFFAOYSA-N -1 3 382.209 3.337 20 0 GGADHM FC(F)(F)COc1ccccc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826368021 948148001 /nfs/dbraw/zinc/14/80/01/948148001.db2.gz YTOQXCROZZZNAR-UHFFFAOYSA-N -1 3 380.326 3.266 20 0 GGADHM FC(F)(F)COc1ccccc1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826368021 948148007 /nfs/dbraw/zinc/14/80/07/948148007.db2.gz YTOQXCROZZZNAR-UHFFFAOYSA-N -1 3 380.326 3.266 20 0 GGADHM FC(F)(F)c1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826368439 948148105 /nfs/dbraw/zinc/14/81/05/948148105.db2.gz PPDCXJNIBMOSKJ-MRXNPFEDSA-N -1 3 375.354 3.463 20 0 GGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826371695 948154419 /nfs/dbraw/zinc/15/44/19/948154419.db2.gz QDHLHZFZQKCKTE-JTQLQIEISA-N -1 3 399.327 3.202 20 0 GGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826371695 948154422 /nfs/dbraw/zinc/15/44/22/948154422.db2.gz QDHLHZFZQKCKTE-JTQLQIEISA-N -1 3 399.327 3.202 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](Cc4ccncc4)C3)c2c1 ZINC000826373035 948158519 /nfs/dbraw/zinc/15/85/19/948158519.db2.gz XIOFSWOXHPFSPY-ZDUSSCGKSA-N -1 3 393.401 3.157 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@@H](Cc4ccncc4)C3)c2c1 ZINC000826373035 948158526 /nfs/dbraw/zinc/15/85/26/948158526.db2.gz XIOFSWOXHPFSPY-ZDUSSCGKSA-N -1 3 393.401 3.157 20 0 GGADHM Fc1cccc(-n2ccc(NCc3cccc4cnccc43)n2)c1-c1nnn[n-]1 ZINC000826376395 948165445 /nfs/dbraw/zinc/16/54/45/948165445.db2.gz BVLWNLFPNHZPTN-UHFFFAOYSA-N -1 3 386.394 3.352 20 0 GGADHM Fc1cccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1-c1nnn[n-]1 ZINC000826377433 948169240 /nfs/dbraw/zinc/16/92/40/948169240.db2.gz RWOBYOQBKJFVBK-JTQLQIEISA-N -1 3 381.337 3.063 20 0 GGADHM Fc1cccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1-c1nn[n-]n1 ZINC000826377433 948169246 /nfs/dbraw/zinc/16/92/46/948169246.db2.gz RWOBYOQBKJFVBK-JTQLQIEISA-N -1 3 381.337 3.063 20 0 GGADHM O=C([C@@H]1CCCCS1)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000826398696 948213651 /nfs/dbraw/zinc/21/36/51/948213651.db2.gz CFMUJKBICYPCMM-ZDUSSCGKSA-N -1 3 385.415 3.043 20 0 GGADHM O=C([C@@H]1CCCCS1)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000826398696 948213657 /nfs/dbraw/zinc/21/36/57/948213657.db2.gz CFMUJKBICYPCMM-ZDUSSCGKSA-N -1 3 385.415 3.043 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826409206 948243888 /nfs/dbraw/zinc/24/38/88/948243888.db2.gz NAXOPVNDWNUGAP-INIZCTEOSA-N -1 3 396.882 3.166 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826409206 948243895 /nfs/dbraw/zinc/24/38/95/948243895.db2.gz NAXOPVNDWNUGAP-INIZCTEOSA-N -1 3 396.882 3.166 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N1CCc2ccccc2C1 ZINC000826420813 948266367 /nfs/dbraw/zinc/26/63/67/948266367.db2.gz DMTCUXHSKXQVSN-UHFFFAOYSA-N -1 3 385.880 3.197 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N1CCc2ccccc2C1 ZINC000826420813 948266374 /nfs/dbraw/zinc/26/63/74/948266374.db2.gz DMTCUXHSKXQVSN-UHFFFAOYSA-N -1 3 385.880 3.197 20 0 GGADHM O=C(NC1CCC(F)(F)CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826428551 948278308 /nfs/dbraw/zinc/27/83/08/948278308.db2.gz FCXAIADVDCTNOD-UHFFFAOYSA-N -1 3 388.422 3.243 20 0 GGADHM O=C(NC1CCC(F)(F)CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826428551 948278314 /nfs/dbraw/zinc/27/83/14/948278314.db2.gz FCXAIADVDCTNOD-UHFFFAOYSA-N -1 3 388.422 3.243 20 0 GGADHM O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000826430713 948281003 /nfs/dbraw/zinc/28/10/03/948281003.db2.gz JLFWBGMSDHKOSB-GFCCVEGCSA-N -1 3 375.841 3.225 20 0 GGADHM O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000826430713 948281009 /nfs/dbraw/zinc/28/10/09/948281009.db2.gz JLFWBGMSDHKOSB-GFCCVEGCSA-N -1 3 375.841 3.225 20 0 GGADHM O=C(NCC1CCCCCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826434109 948286598 /nfs/dbraw/zinc/28/65/98/948286598.db2.gz CMSRRVKFDTXFTD-LJQANCHMSA-N -1 3 398.511 3.310 20 0 GGADHM O=C(NCC1CCCCCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826434109 948286608 /nfs/dbraw/zinc/28/66/08/948286608.db2.gz CMSRRVKFDTXFTD-LJQANCHMSA-N -1 3 398.511 3.310 20 0 GGADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1sccc1-c1nnn[n-]1 ZINC000826434433 948289945 /nfs/dbraw/zinc/28/99/45/948289945.db2.gz MOXABNPAHJGGLZ-UHFFFAOYSA-N -1 3 377.832 3.182 20 0 GGADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1sccc1-c1nn[n-]n1 ZINC000826434433 948289953 /nfs/dbraw/zinc/28/99/53/948289953.db2.gz MOXABNPAHJGGLZ-UHFFFAOYSA-N -1 3 377.832 3.182 20 0 GGADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456060 948327834 /nfs/dbraw/zinc/32/78/34/948327834.db2.gz OQJYILVKINRBHA-UHFFFAOYSA-N -1 3 385.387 3.179 20 0 GGADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456060 948327844 /nfs/dbraw/zinc/32/78/44/948327844.db2.gz OQJYILVKINRBHA-UHFFFAOYSA-N -1 3 385.387 3.179 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccc2cc[nH]c2n1 ZINC000826455572 948328352 /nfs/dbraw/zinc/32/83/52/948328352.db2.gz UWZMTSICYMZUFN-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM O=C(Nc1cccc(CNc2cnccc2-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826456571 948329887 /nfs/dbraw/zinc/32/98/87/948329887.db2.gz MHHQVJCMMWFPOR-UHFFFAOYSA-N -1 3 377.452 3.393 20 0 GGADHM O=C(Nc1cccc(CNc2cnccc2-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826456571 948329898 /nfs/dbraw/zinc/32/98/98/948329898.db2.gz MHHQVJCMMWFPOR-UHFFFAOYSA-N -1 3 377.452 3.393 20 0 GGADHM O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462279 948352339 /nfs/dbraw/zinc/35/23/39/948352339.db2.gz SZODVNYHWOMKDD-GFCCVEGCSA-N -1 3 385.733 3.179 20 0 GGADHM O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462279 948352347 /nfs/dbraw/zinc/35/23/47/948352347.db2.gz SZODVNYHWOMKDD-GFCCVEGCSA-N -1 3 385.733 3.179 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccn(C(F)F)n1 ZINC000826468568 948365750 /nfs/dbraw/zinc/36/57/50/948365750.db2.gz XSKKZHAJYLNGHE-UHFFFAOYSA-N -1 3 382.330 3.345 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccn(C(F)F)n1 ZINC000826468568 948365752 /nfs/dbraw/zinc/36/57/52/948365752.db2.gz XSKKZHAJYLNGHE-UHFFFAOYSA-N -1 3 382.330 3.345 20 0 GGADHM O=C(c1ccccc1Oc1cccnc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474352 948373610 /nfs/dbraw/zinc/37/36/10/948373610.db2.gz MIOQAADBSDWOCR-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM O=C(c1ccccc1Oc1cccnc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474352 948373620 /nfs/dbraw/zinc/37/36/20/948373620.db2.gz MIOQAADBSDWOCR-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM O=C(c1ccccc1Cl)N1CCC(Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826474125 948373927 /nfs/dbraw/zinc/37/39/27/948373927.db2.gz BCPONEJBBQRQGV-UHFFFAOYSA-N -1 3 382.855 3.237 20 0 GGADHM O=C(c1ccccc1Cl)N1CCC(Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826474125 948373935 /nfs/dbraw/zinc/37/39/35/948373935.db2.gz BCPONEJBBQRQGV-UHFFFAOYSA-N -1 3 382.855 3.237 20 0 GGADHM O[C@H](CCc1ccccc1)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826502407 948419139 /nfs/dbraw/zinc/41/91/39/948419139.db2.gz CGHCCXVDOQGTBN-CQSZACIVSA-N -1 3 388.269 3.035 20 0 GGADHM O[C@H](CCc1ccccc1)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826502407 948419143 /nfs/dbraw/zinc/41/91/43/948419143.db2.gz CGHCCXVDOQGTBN-CQSZACIVSA-N -1 3 388.269 3.035 20 0 GGADHM O[C@]1(Cc2cccc(Cl)c2)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826505825 948424527 /nfs/dbraw/zinc/42/45/27/948424527.db2.gz GNJFIYIQDFHRIY-SFHVURJKSA-N -1 3 390.274 3.357 20 0 GGADHM O[C@]1(Cc2cccc(Cl)c2)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826505825 948424531 /nfs/dbraw/zinc/42/45/31/948424531.db2.gz GNJFIYIQDFHRIY-SFHVURJKSA-N -1 3 390.274 3.357 20 0 GGADHM c1ccn2c(c1)nc(NCc1ccc(OC3CCCCC3)nc1)c2-c1nnn[n-]1 ZINC000826524587 948463175 /nfs/dbraw/zinc/46/31/75/948463175.db2.gz AKOOQWNIBIRWQU-UHFFFAOYSA-N -1 3 390.451 3.233 20 0 GGADHM c1ccn2c(c1)nc(NCc1ccc(OC3CCCCC3)nc1)c2-c1nn[n-]n1 ZINC000826524587 948463182 /nfs/dbraw/zinc/46/31/82/948463182.db2.gz AKOOQWNIBIRWQU-UHFFFAOYSA-N -1 3 390.451 3.233 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccncc1)C1CCCCC1 ZINC001136655506 948475607 /nfs/dbraw/zinc/47/56/07/948475607.db2.gz XGXQRWBJPJTTIK-LJQANCHMSA-N -1 3 376.464 3.242 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccncc1)C1CCCCC1 ZINC001136655506 948475613 /nfs/dbraw/zinc/47/56/13/948475613.db2.gz XGXQRWBJPJTTIK-LJQANCHMSA-N -1 3 376.464 3.242 20 0 GGADHM Cc1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)CCCC2)c(C)c1 ZINC001450397425 948522800 /nfs/dbraw/zinc/52/28/00/948522800.db2.gz HLNAEYLQVYTDGM-UHFFFAOYSA-N -1 3 376.464 3.120 20 0 GGADHM Cc1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)CCCC2)c(C)c1 ZINC001450397425 948522806 /nfs/dbraw/zinc/52/28/06/948522806.db2.gz HLNAEYLQVYTDGM-UHFFFAOYSA-N -1 3 376.464 3.120 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)nn1-c1ccc(C)cc1 ZINC001460786943 948526768 /nfs/dbraw/zinc/52/67/68/948526768.db2.gz PDQMMVSIDBQHLZ-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)nn1-c1ccc(C)cc1 ZINC001460786943 948526776 /nfs/dbraw/zinc/52/67/76/948526776.db2.gz PDQMMVSIDBQHLZ-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM C[C@H](C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccccn1 ZINC001573729113 948565369 /nfs/dbraw/zinc/56/53/69/948565369.db2.gz GZFMHPFBZSFNMC-ZDUSSCGKSA-N -1 3 390.472 3.410 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cnccn1 ZINC001573755144 948755574 /nfs/dbraw/zinc/75/55/74/948755574.db2.gz BBSUOEAYYXURBB-ZDUSSCGKSA-N -1 3 387.403 3.191 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cnccn1 ZINC001573755144 948755584 /nfs/dbraw/zinc/75/55/84/948755584.db2.gz BBSUOEAYYXURBB-ZDUSSCGKSA-N -1 3 387.403 3.191 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)n1cccc1 ZINC001573755606 948774366 /nfs/dbraw/zinc/77/43/66/948774366.db2.gz GLMMJLOKZQZAIM-ZDUSSCGKSA-N -1 3 375.392 3.055 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)n1cccc1 ZINC001573755606 948774373 /nfs/dbraw/zinc/77/43/73/948774373.db2.gz GLMMJLOKZQZAIM-ZDUSSCGKSA-N -1 3 375.392 3.055 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC001573755788 948784019 /nfs/dbraw/zinc/78/40/19/948784019.db2.gz IJUHJTJOZCKETE-CXAGYDPISA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC001573755788 948784030 /nfs/dbraw/zinc/78/40/30/948784030.db2.gz IJUHJTJOZCKETE-CXAGYDPISA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CCCO1 ZINC001573755838 948786687 /nfs/dbraw/zinc/78/66/87/948786687.db2.gz JIHBPXVGMMKZAO-KUHUBIRLSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1CCCO1 ZINC001573755838 948786702 /nfs/dbraw/zinc/78/67/02/948786702.db2.gz JIHBPXVGMMKZAO-KUHUBIRLSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1Br)c1cccs1 ZINC001573755825 948786735 /nfs/dbraw/zinc/78/67/35/948786735.db2.gz JBHXRDHMAVHGLX-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1Br)c1cccs1 ZINC001573755825 948786747 /nfs/dbraw/zinc/78/67/47/948786747.db2.gz JBHXRDHMAVHGLX-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM CC(C)c1cccc(OCC(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001574420192 948793864 /nfs/dbraw/zinc/79/38/64/948793864.db2.gz PKPITVGQBKDNLW-UHFFFAOYSA-N -1 3 377.448 3.348 20 0 GGADHM CC(C)c1cccc(OCC(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001574420192 948793870 /nfs/dbraw/zinc/79/38/70/948793870.db2.gz PKPITVGQBKDNLW-UHFFFAOYSA-N -1 3 377.448 3.348 20 0 GGADHM CC(F)(F)C1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)CC1 ZINC001575225809 948811391 /nfs/dbraw/zinc/81/13/91/948811391.db2.gz FLWBIQIESWUJJP-UHFFFAOYSA-N -1 3 393.785 3.080 20 0 GGADHM CC(F)(F)C1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)CC1 ZINC001575225809 948811408 /nfs/dbraw/zinc/81/14/08/948811408.db2.gz FLWBIQIESWUJJP-UHFFFAOYSA-N -1 3 393.785 3.080 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001573756406 948816520 /nfs/dbraw/zinc/81/65/20/948816520.db2.gz QQHDJTLFZQAPMS-AWEZNQCLSA-N -1 3 384.443 3.363 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001573756406 948816540 /nfs/dbraw/zinc/81/65/40/948816540.db2.gz QQHDJTLFZQAPMS-AWEZNQCLSA-N -1 3 384.443 3.363 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2c1cccc2F ZINC001573756582 948818211 /nfs/dbraw/zinc/81/82/11/948818211.db2.gz TYNQXQPSTPDWNC-JTQLQIEISA-N -1 3 386.818 3.049 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2c1cccc2F ZINC001573756582 948818231 /nfs/dbraw/zinc/81/82/31/948818231.db2.gz TYNQXQPSTPDWNC-JTQLQIEISA-N -1 3 386.818 3.049 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(OC2CC2)cc1 ZINC001574082090 948845364 /nfs/dbraw/zinc/84/53/64/948845364.db2.gz AELBVPAGYVSWDD-IBGZPJMESA-N -1 3 394.431 3.417 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(OC2CC2)cc1 ZINC001574082090 948845384 /nfs/dbraw/zinc/84/53/84/948845384.db2.gz AELBVPAGYVSWDD-IBGZPJMESA-N -1 3 394.431 3.417 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(C2CCC2)CCC1 ZINC001574082771 948864573 /nfs/dbraw/zinc/86/45/73/948864573.db2.gz JMXRZTKEIIQVOR-GOSISDBHSA-N -1 3 383.496 3.357 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(C2CCC2)CCC1 ZINC001574082771 948864590 /nfs/dbraw/zinc/86/45/90/948864590.db2.gz JMXRZTKEIIQVOR-GOSISDBHSA-N -1 3 383.496 3.357 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC001574082806 948867936 /nfs/dbraw/zinc/86/79/36/948867936.db2.gz KNGFFEGXSBXQOY-BBRMVZONSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC001574082806 948867951 /nfs/dbraw/zinc/86/79/51/948867951.db2.gz KNGFFEGXSBXQOY-BBRMVZONSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC001574082808 948869971 /nfs/dbraw/zinc/86/99/71/948869971.db2.gz KNGFFEGXSBXQOY-CZUORRHYSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC001574082808 948869985 /nfs/dbraw/zinc/86/99/85/948869985.db2.gz KNGFFEGXSBXQOY-CZUORRHYSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001574083847 948896583 /nfs/dbraw/zinc/89/65/83/948896583.db2.gz YXFDSXCZEYWRBW-GOSISDBHSA-N -1 3 399.882 3.282 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001574083847 948896594 /nfs/dbraw/zinc/89/65/94/948896594.db2.gz YXFDSXCZEYWRBW-GOSISDBHSA-N -1 3 399.882 3.282 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001574087831 948899045 /nfs/dbraw/zinc/89/90/45/948899045.db2.gz BELGHKDQHGGXRO-SCLBCKFNSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001574087831 948899060 /nfs/dbraw/zinc/89/90/60/948899060.db2.gz BELGHKDQHGGXRO-SCLBCKFNSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001574088172 948910219 /nfs/dbraw/zinc/91/02/19/948910219.db2.gz DAERQAWGNKFHDL-BJOHPYRUSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001574088172 948910232 /nfs/dbraw/zinc/91/02/32/948910232.db2.gz DAERQAWGNKFHDL-BJOHPYRUSA-N -1 3 383.221 3.356 20 0 GGADHM CC[C@](O)(CCC(F)(F)F)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589573638 948923900 /nfs/dbraw/zinc/92/39/00/948923900.db2.gz NVPVGBNTKSAYOF-DYVFJYSZSA-N -1 3 392.418 3.154 20 0 GGADHM CC[C@@](O)(CCC(F)(F)F)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589573640 948924129 /nfs/dbraw/zinc/92/41/29/948924129.db2.gz NVPVGBNTKSAYOF-SUMWQHHRSA-N -1 3 392.418 3.154 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H]1C[C@@H]1C ZINC001574089553 948959116 /nfs/dbraw/zinc/95/91/16/948959116.db2.gz IDKAJTQTVAVMNZ-JQFCIGGWSA-N -1 3 378.484 3.331 20 0 GGADHM CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H]1C[C@@H]1C ZINC001574089553 948959131 /nfs/dbraw/zinc/95/91/31/948959131.db2.gz IDKAJTQTVAVMNZ-JQFCIGGWSA-N -1 3 378.484 3.331 20 0 GGADHM CC(C)c1ncsc1NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001574433907 948969424 /nfs/dbraw/zinc/96/94/24/948969424.db2.gz VHHYSSHDNUVENS-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1ncsc1NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001574433907 948969430 /nfs/dbraw/zinc/96/94/30/948969430.db2.gz VHHYSSHDNUVENS-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)(C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1Cl ZINC001573773598 948987021 /nfs/dbraw/zinc/98/70/21/948987021.db2.gz MVXMHPAAKMKUIV-OAHLLOKOSA-N -1 3 381.867 3.081 20 0 GGADHM CC(C)(C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1Cl ZINC001573773598 948987033 /nfs/dbraw/zinc/98/70/33/948987033.db2.gz MVXMHPAAKMKUIV-OAHLLOKOSA-N -1 3 381.867 3.081 20 0 GGADHM CC(C)c1nnc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1CC1CC1 ZINC001574435343 948993985 /nfs/dbraw/zinc/99/39/85/948993985.db2.gz UESGMSRYSOOGQS-UHFFFAOYSA-N -1 3 378.484 3.161 20 0 GGADHM CC(C)c1nnc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1CC1CC1 ZINC001574435343 948993991 /nfs/dbraw/zinc/99/39/91/948993991.db2.gz UESGMSRYSOOGQS-UHFFFAOYSA-N -1 3 378.484 3.161 20 0 GGADHM C[C@H](c1cc(F)ccc1F)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001575501870 949015272 /nfs/dbraw/zinc/01/52/72/949015272.db2.gz GNRQQTDOINSEIR-GFCCVEGCSA-N -1 3 388.397 3.167 20 0 GGADHM C[C@H](c1cc(F)ccc1F)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001575501870 949015290 /nfs/dbraw/zinc/01/52/90/949015290.db2.gz GNRQQTDOINSEIR-GFCCVEGCSA-N -1 3 388.397 3.167 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001575501873 949019143 /nfs/dbraw/zinc/01/91/43/949019143.db2.gz GNRQQTDOINSEIR-LBPRGKRZSA-N -1 3 388.397 3.167 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001575501873 949019160 /nfs/dbraw/zinc/01/91/60/949019160.db2.gz GNRQQTDOINSEIR-LBPRGKRZSA-N -1 3 388.397 3.167 20 0 GGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC001574091485 949019621 /nfs/dbraw/zinc/01/96/21/949019621.db2.gz NTCZQMQFGGUXPV-DOTOQJQBSA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC001574091485 949019638 /nfs/dbraw/zinc/01/96/38/949019638.db2.gz NTCZQMQFGGUXPV-DOTOQJQBSA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC001574091488 949020628 /nfs/dbraw/zinc/02/06/28/949020628.db2.gz NTCZQMQFGGUXPV-WBVHZDCISA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC001574091488 949020644 /nfs/dbraw/zinc/02/06/44/949020644.db2.gz NTCZQMQFGGUXPV-WBVHZDCISA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)c1nnsc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC001574440171 949028045 /nfs/dbraw/zinc/02/80/45/949028045.db2.gz PGWPSCZLCYTXAJ-UHFFFAOYSA-N -1 3 398.477 3.217 20 0 GGADHM CC(C)c1nnsc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC001574440171 949028058 /nfs/dbraw/zinc/02/80/58/949028058.db2.gz PGWPSCZLCYTXAJ-UHFFFAOYSA-N -1 3 398.477 3.217 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001575502571 949029253 /nfs/dbraw/zinc/02/92/53/949029253.db2.gz HISXXYWLFUOKBP-JTQLQIEISA-N -1 3 393.344 3.456 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001575502571 949029270 /nfs/dbraw/zinc/02/92/70/949029270.db2.gz HISXXYWLFUOKBP-JTQLQIEISA-N -1 3 393.344 3.456 20 0 GGADHM C[C@H](NC(=O)C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001575247969 949052866 /nfs/dbraw/zinc/05/28/66/949052866.db2.gz MKSANQBIKNCWLL-VIFPVBQESA-N -1 3 390.230 3.234 20 0 GGADHM C[C@H](NC(=O)C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001575247969 949052883 /nfs/dbraw/zinc/05/28/83/949052883.db2.gz MKSANQBIKNCWLL-VIFPVBQESA-N -1 3 390.230 3.234 20 0 GGADHM C[C@@H](CCc1ccccc1)NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001574693408 949055470 /nfs/dbraw/zinc/05/54/70/949055470.db2.gz HDAMWVCVYGYZGI-INIZCTEOSA-N -1 3 378.480 3.072 20 0 GGADHM C[C@@H](CCc1ccccc1)NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001574693408 949055488 /nfs/dbraw/zinc/05/54/88/949055488.db2.gz HDAMWVCVYGYZGI-INIZCTEOSA-N -1 3 378.480 3.072 20 0 GGADHM C[C@H](CCc1ccccc1)NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001574693410 949056415 /nfs/dbraw/zinc/05/64/15/949056415.db2.gz HDAMWVCVYGYZGI-MRXNPFEDSA-N -1 3 378.480 3.072 20 0 GGADHM C[C@H](CCc1ccccc1)NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001574693410 949056436 /nfs/dbraw/zinc/05/64/36/949056436.db2.gz HDAMWVCVYGYZGI-MRXNPFEDSA-N -1 3 378.480 3.072 20 0 GGADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575504256 949062696 /nfs/dbraw/zinc/06/26/96/949062696.db2.gz PDAUGFKJAOKHNE-SNVBAGLBSA-N -1 3 393.344 3.456 20 0 GGADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575504256 949062715 /nfs/dbraw/zinc/06/27/15/949062715.db2.gz PDAUGFKJAOKHNE-SNVBAGLBSA-N -1 3 393.344 3.456 20 0 GGADHM CC(C)C1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001574092501 949064074 /nfs/dbraw/zinc/06/40/74/949064074.db2.gz RRKWXUFDIJULFA-KVWWFHCMSA-N -1 3 382.512 3.167 20 0 GGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1Cl)C(=O)NCc1ccccc1F ZINC001575504413 949070283 /nfs/dbraw/zinc/07/02/83/949070283.db2.gz TXICIQXWFKOKGR-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1Cl)C(=O)NCc1ccccc1F ZINC001575504413 949070300 /nfs/dbraw/zinc/07/03/00/949070300.db2.gz TXICIQXWFKOKGR-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](CCc1cccn1C)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001574694525 949077079 /nfs/dbraw/zinc/07/70/79/949077079.db2.gz QSBCLJXUFAUFKL-NSHDSACASA-N -1 3 375.274 3.401 20 0 GGADHM C[C@@H](CCc1cccn1C)Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001574694525 949077094 /nfs/dbraw/zinc/07/70/94/949077094.db2.gz QSBCLJXUFAUFKL-NSHDSACASA-N -1 3 375.274 3.401 20 0 GGADHM C[C@@H](c1ccc(F)cc1)N(C)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001575504553 949077829 /nfs/dbraw/zinc/07/78/29/949077829.db2.gz RVWXFUIADWWZRN-VIFPVBQESA-N -1 3 377.221 3.361 20 0 GGADHM C[C@@H](c1ccc(F)cc1)N(C)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001575504553 949077845 /nfs/dbraw/zinc/07/78/45/949077845.db2.gz RVWXFUIADWWZRN-VIFPVBQESA-N -1 3 377.221 3.361 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001575504582 949078737 /nfs/dbraw/zinc/07/87/37/949078737.db2.gz SUUUIEXDTIUMFL-RRQGHBQHSA-N -1 3 399.495 3.144 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001575504582 949078759 /nfs/dbraw/zinc/07/87/59/949078759.db2.gz SUUUIEXDTIUMFL-RRQGHBQHSA-N -1 3 399.495 3.144 20 0 GGADHM CC(C)[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001574092863 949085285 /nfs/dbraw/zinc/08/52/85/949085285.db2.gz UQADDWRLPXEROR-NSHDSACASA-N -1 3 378.274 3.137 20 0 GGADHM CC(C)[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001574092863 949085301 /nfs/dbraw/zinc/08/53/01/949085301.db2.gz UQADDWRLPXEROR-NSHDSACASA-N -1 3 378.274 3.137 20 0 GGADHM C[C@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC001575504754 949085782 /nfs/dbraw/zinc/08/57/82/949085782.db2.gz XHOVHUBUYKIGCU-QMMMGPOBSA-N -1 3 379.367 3.403 20 0 GGADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001575504842 949087546 /nfs/dbraw/zinc/08/75/46/949087546.db2.gz VJWQOJAVOJAKMV-QMMMGPOBSA-N -1 3 378.864 3.422 20 0 GGADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001575504842 949087565 /nfs/dbraw/zinc/08/75/65/949087565.db2.gz VJWQOJAVOJAKMV-QMMMGPOBSA-N -1 3 378.864 3.422 20 0 GGADHM C[C@@H](CCO)C1(CNc2ccc(-c3nnn[n-]3)c(Br)c2)CCC1 ZINC001574694771 949091138 /nfs/dbraw/zinc/09/11/38/949091138.db2.gz WCOVRYLWHBGOAE-NSHDSACASA-N -1 3 380.290 3.230 20 0 GGADHM C[C@@H](CCO)C1(CNc2ccc(-c3nn[n-]n3)c(Br)c2)CCC1 ZINC001574694771 949091154 /nfs/dbraw/zinc/09/11/54/949091154.db2.gz WCOVRYLWHBGOAE-NSHDSACASA-N -1 3 380.290 3.230 20 0 GGADHM C[C@@H](Sc1ccncc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001575504942 949096197 /nfs/dbraw/zinc/09/61/97/949096197.db2.gz ZNGVJXRMFGMFMU-NWDGAFQWSA-N -1 3 394.460 3.366 20 0 GGADHM C[C@@H](Sc1ccncc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001575504942 949096217 /nfs/dbraw/zinc/09/62/17/949096217.db2.gz ZNGVJXRMFGMFMU-NWDGAFQWSA-N -1 3 394.460 3.366 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1c(F)ccc2ccncc21 ZINC001575505043 949104155 /nfs/dbraw/zinc/10/41/55/949104155.db2.gz XYZCQJLXINTAMC-GFCCVEGCSA-N -1 3 376.395 3.387 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1c(F)ccc2ccncc21 ZINC001575505043 949104163 /nfs/dbraw/zinc/10/41/63/949104163.db2.gz XYZCQJLXINTAMC-GFCCVEGCSA-N -1 3 376.395 3.387 20 0 GGADHM CC(C)(C(=O)NCc1cc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001573783127 949140083 /nfs/dbraw/zinc/14/00/83/949140083.db2.gz RPKQCLDHTTVUCT-UHFFFAOYSA-N -1 3 381.505 3.401 20 0 GGADHM CC(C)(C(=O)NCc1cc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001573783127 949140094 /nfs/dbraw/zinc/14/00/94/949140094.db2.gz RPKQCLDHTTVUCT-UHFFFAOYSA-N -1 3 381.505 3.401 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574098756 949165625 /nfs/dbraw/zinc/16/56/25/949165625.db2.gz FGDYJFULENWSNL-GHTZIAJQSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574098756 949165632 /nfs/dbraw/zinc/16/56/32/949165632.db2.gz FGDYJFULENWSNL-GHTZIAJQSA-N -1 3 375.476 3.485 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Br)cc1 ZINC001575514516 949168014 /nfs/dbraw/zinc/16/80/14/949168014.db2.gz WTJNAUJMNMTUPU-NSHDSACASA-N -1 3 386.253 3.462 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Br)cc1 ZINC001575514516 949168020 /nfs/dbraw/zinc/16/80/20/949168020.db2.gz WTJNAUJMNMTUPU-NSHDSACASA-N -1 3 386.253 3.462 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001575514811 949175363 /nfs/dbraw/zinc/17/53/63/949175363.db2.gz ZDTFXHOVGYTARZ-LLVKDONJSA-N -1 3 396.476 3.110 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001575514811 949175376 /nfs/dbraw/zinc/17/53/76/949175376.db2.gz ZDTFXHOVGYTARZ-LLVKDONJSA-N -1 3 396.476 3.110 20 0 GGADHM CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001574099731 949184283 /nfs/dbraw/zinc/18/42/83/949184283.db2.gz OIWBATVQSYZFLX-KSSFIOAISA-N -1 3 376.464 3.454 20 0 GGADHM CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001574099731 949184298 /nfs/dbraw/zinc/18/42/98/949184298.db2.gz OIWBATVQSYZFLX-KSSFIOAISA-N -1 3 376.464 3.454 20 0 GGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001574099703 949184354 /nfs/dbraw/zinc/18/43/54/949184354.db2.gz NVDAQEQXPSACKS-INIZCTEOSA-N -1 3 382.855 3.311 20 0 GGADHM CC(C)[C@@H]1N(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)CC12CCC2 ZINC001574099901 949185746 /nfs/dbraw/zinc/18/57/46/949185746.db2.gz QALXCZNQNBVWBF-KRWDZBQOSA-N -1 3 377.452 3.464 20 0 GGADHM CC(C)[C@@H]1N(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)CC12CCC2 ZINC001574099901 949185755 /nfs/dbraw/zinc/18/57/55/949185755.db2.gz QALXCZNQNBVWBF-KRWDZBQOSA-N -1 3 377.452 3.464 20 0 GGADHM CC(C)[C@H]1N(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)CC12CCC2 ZINC001574099902 949185781 /nfs/dbraw/zinc/18/57/81/949185781.db2.gz QALXCZNQNBVWBF-QGZVFWFLSA-N -1 3 377.452 3.464 20 0 GGADHM CC(C)[C@H]1N(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)CC12CCC2 ZINC001574099902 949185795 /nfs/dbraw/zinc/18/57/95/949185795.db2.gz QALXCZNQNBVWBF-QGZVFWFLSA-N -1 3 377.452 3.464 20 0 GGADHM CC(C)(C(=O)Nc1nccc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788151 949190512 /nfs/dbraw/zinc/19/05/12/949190512.db2.gz HEYPRTAQSJXEIT-UHFFFAOYSA-N -1 3 385.431 3.240 20 0 GGADHM CC(C)(C(=O)Nc1nccc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788151 949190526 /nfs/dbraw/zinc/19/05/26/949190526.db2.gz HEYPRTAQSJXEIT-UHFFFAOYSA-N -1 3 385.431 3.240 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787900 949191655 /nfs/dbraw/zinc/19/16/55/949191655.db2.gz DISPRHGARGUKSU-UHFFFAOYSA-N -1 3 385.431 3.240 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787900 949191665 /nfs/dbraw/zinc/19/16/65/949191665.db2.gz DISPRHGARGUKSU-UHFFFAOYSA-N -1 3 385.431 3.240 20 0 GGADHM CC(C)(C(=O)Nc1cncc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788603 949206020 /nfs/dbraw/zinc/20/60/20/949206020.db2.gz OQVVHEIAMKXEMV-UHFFFAOYSA-N -1 3 376.342 3.197 20 0 GGADHM CC(C)(C(=O)Nc1cncc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788603 949206036 /nfs/dbraw/zinc/20/60/36/949206036.db2.gz OQVVHEIAMKXEMV-UHFFFAOYSA-N -1 3 376.342 3.197 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC001575516708 949212792 /nfs/dbraw/zinc/21/27/92/949212792.db2.gz QZZXQMCPXOYYAH-LLVKDONJSA-N -1 3 395.373 3.203 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC001575516708 949212813 /nfs/dbraw/zinc/21/28/13/949212813.db2.gz QZZXQMCPXOYYAH-LLVKDONJSA-N -1 3 395.373 3.203 20 0 GGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)n1 ZINC001575516947 949214047 /nfs/dbraw/zinc/21/40/47/949214047.db2.gz RZPIZEFZTPJUOA-CYBMUJFWSA-N -1 3 398.430 3.406 20 0 GGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)n1 ZINC001575516947 949214068 /nfs/dbraw/zinc/21/40/68/949214068.db2.gz RZPIZEFZTPJUOA-CYBMUJFWSA-N -1 3 398.430 3.406 20 0 GGADHM C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001575517621 949233035 /nfs/dbraw/zinc/23/30/35/949233035.db2.gz XJWNFGSMCQJKCP-JTQLQIEISA-N -1 3 397.913 3.104 20 0 GGADHM C[C@@H](c1ccccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575517813 949237167 /nfs/dbraw/zinc/23/71/67/949237167.db2.gz YJJZWLZGOZBTON-NSHDSACASA-N -1 3 375.354 3.317 20 0 GGADHM C[C@@H](c1ccccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575517813 949237188 /nfs/dbraw/zinc/23/71/88/949237188.db2.gz YJJZWLZGOZBTON-NSHDSACASA-N -1 3 375.354 3.317 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001575517700 949242020 /nfs/dbraw/zinc/24/20/20/949242020.db2.gz YDYBCVUEFCWZKJ-KXBFYZLASA-N -1 3 376.464 3.073 20 0 GGADHM C[C@H]1CCC[C@@H](C2CN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001576152621 949255843 /nfs/dbraw/zinc/25/58/43/949255843.db2.gz JQYMAVRPLXBLHD-WMLDXEAASA-N -1 3 385.537 3.385 20 0 GGADHM C[C@H]1CCC[C@@H](C2CN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001576152621 949255859 /nfs/dbraw/zinc/25/58/59/949255859.db2.gz JQYMAVRPLXBLHD-WMLDXEAASA-N -1 3 385.537 3.385 20 0 GGADHM C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575857746 949273977 /nfs/dbraw/zinc/27/39/77/949273977.db2.gz VBFKBUXXLFJWMN-IBGZPJMESA-N -1 3 382.493 3.192 20 0 GGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575523353 949287830 /nfs/dbraw/zinc/28/78/30/949287830.db2.gz PLVHOADUSRLWQF-JTQLQIEISA-N -1 3 380.437 3.096 20 0 GGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575523353 949287848 /nfs/dbraw/zinc/28/78/48/949287848.db2.gz PLVHOADUSRLWQF-JTQLQIEISA-N -1 3 380.437 3.096 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C(=O)OC)cc2Br)C1 ZINC001589606527 949288801 /nfs/dbraw/zinc/28/88/01/949288801.db2.gz UAWWGMIHHPNJMN-QGZVFWFLSA-N -1 3 384.270 3.313 20 0 GGADHM CC1=C(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)SCCO1 ZINC001575860497 949300833 /nfs/dbraw/zinc/30/08/33/949300833.db2.gz JIMPONOKGJHHHR-UHFFFAOYSA-N -1 3 393.472 3.395 20 0 GGADHM CC1=C(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)SCCO1 ZINC001575860497 949300855 /nfs/dbraw/zinc/30/08/55/949300855.db2.gz JIMPONOKGJHHHR-UHFFFAOYSA-N -1 3 393.472 3.395 20 0 GGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576153870 949305862 /nfs/dbraw/zinc/30/58/62/949305862.db2.gz NDQFMCSSNYCBLP-ZMZPIMSZSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576153870 949305882 /nfs/dbraw/zinc/30/58/82/949305882.db2.gz NDQFMCSSNYCBLP-ZMZPIMSZSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576153868 949306179 /nfs/dbraw/zinc/30/61/79/949306179.db2.gz NDQFMCSSNYCBLP-BBATYDOGSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576153868 949306199 /nfs/dbraw/zinc/30/61/99/949306199.db2.gz NDQFMCSSNYCBLP-BBATYDOGSA-N -1 3 385.859 3.471 20 0 GGADHM CC1=C(C)C[C@](C)(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CC1 ZINC001575861516 949323177 /nfs/dbraw/zinc/32/31/77/949323177.db2.gz SSNBODHYMORPLI-OAQYLSRUSA-N -1 3 398.486 3.181 20 0 GGADHM CC1=C(C)C[C@](C)(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CC1 ZINC001575861516 949323201 /nfs/dbraw/zinc/32/32/01/949323201.db2.gz SSNBODHYMORPLI-OAQYLSRUSA-N -1 3 398.486 3.181 20 0 GGADHM C[C@@]12CCN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)C[C@@H]1C2(Cl)Cl ZINC001575861557 949325445 /nfs/dbraw/zinc/32/54/45/949325445.db2.gz TZVBWXHIYFIYNP-QDEZUTFSSA-N -1 3 392.290 3.013 20 0 GGADHM C[C@@]12CCN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)C[C@@H]1C2(Cl)Cl ZINC001575861557 949325465 /nfs/dbraw/zinc/32/54/65/949325465.db2.gz TZVBWXHIYFIYNP-QDEZUTFSSA-N -1 3 392.290 3.013 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001575861504 949327307 /nfs/dbraw/zinc/32/73/07/949327307.db2.gz SPULJAVOJBNHRN-KDOFPFPSSA-N -1 3 390.495 3.328 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001575861504 949327334 /nfs/dbraw/zinc/32/73/34/949327334.db2.gz SPULJAVOJBNHRN-KDOFPFPSSA-N -1 3 390.495 3.328 20 0 GGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001576154371 949334145 /nfs/dbraw/zinc/33/41/45/949334145.db2.gz OVODTBOKTOLUBY-ADLMAVQZSA-N -1 3 385.859 3.471 20 0 GGADHM CC1=CC[C@@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001575865439 949373511 /nfs/dbraw/zinc/37/35/11/949373511.db2.gz LADFWSQBCJOAOX-HXUWFJFHSA-N -1 3 377.452 3.187 20 0 GGADHM CC1=CC[C@@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001575865439 949373524 /nfs/dbraw/zinc/37/35/24/949373524.db2.gz LADFWSQBCJOAOX-HXUWFJFHSA-N -1 3 377.452 3.187 20 0 GGADHM CC1=NN(c2ccc(C(=O)Nc3cc(-c4nnn[n-]4)c(F)cc3C)cc2)CC1 ZINC001575865808 949383299 /nfs/dbraw/zinc/38/32/99/949383299.db2.gz MXJYGBTUTPBFEL-UHFFFAOYSA-N -1 3 379.399 3.153 20 0 GGADHM CC1=NN(c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)c(F)cc3C)cc2)CC1 ZINC001575865808 949383319 /nfs/dbraw/zinc/38/33/19/949383319.db2.gz MXJYGBTUTPBFEL-UHFFFAOYSA-N -1 3 379.399 3.153 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCCO2 ZINC001575263153 949389940 /nfs/dbraw/zinc/38/99/40/949389940.db2.gz FENFSMMTJKHUPI-CFRMROPGSA-N -1 3 375.432 3.082 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)CCCO2 ZINC001575263153 949389962 /nfs/dbraw/zinc/38/99/62/949389962.db2.gz FENFSMMTJKHUPI-CFRMROPGSA-N -1 3 375.432 3.082 20 0 GGADHM CC1=CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2C[C@@H]2CC2(C)C)CC1 ZINC001575866273 949404545 /nfs/dbraw/zinc/40/45/45/949404545.db2.gz QYEARYDGRPROQY-KRWDZBQOSA-N -1 3 390.495 3.328 20 0 GGADHM CC1=CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2C[C@@H]2CC2(C)C)CC1 ZINC001575866273 949404563 /nfs/dbraw/zinc/40/45/63/949404563.db2.gz QYEARYDGRPROQY-KRWDZBQOSA-N -1 3 390.495 3.328 20 0 GGADHM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)O1 ZINC001576155849 949417759 /nfs/dbraw/zinc/41/77/59/949417759.db2.gz VMNVGVPLGFEPIA-GXTWGEPZSA-N -1 3 388.472 3.123 20 0 GGADHM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)O1 ZINC001576155849 949417766 /nfs/dbraw/zinc/41/77/66/949417766.db2.gz VMNVGVPLGFEPIA-GXTWGEPZSA-N -1 3 388.472 3.123 20 0 GGADHM CC(C)n1ncc2ccc(NC(=O)NCc3ccc(-c4nnn[n-]4)s3)cc21 ZINC001574468537 949461079 /nfs/dbraw/zinc/46/10/79/949461079.db2.gz ORNYGMBDQHFKLC-UHFFFAOYSA-N -1 3 382.453 3.181 20 0 GGADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575869387 949471411 /nfs/dbraw/zinc/47/14/11/949471411.db2.gz QKOAYSGUOUNEKV-FRRDWIJNSA-N -1 3 392.529 3.146 20 0 GGADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575869387 949471428 /nfs/dbraw/zinc/47/14/28/949471428.db2.gz QKOAYSGUOUNEKV-FRRDWIJNSA-N -1 3 392.529 3.146 20 0 GGADHM CC(C)(C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573805874 949475641 /nfs/dbraw/zinc/47/56/41/949475641.db2.gz CSUJIURWVLSGIB-UHFFFAOYSA-N -1 3 384.465 3.479 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575870580 949489805 /nfs/dbraw/zinc/48/98/05/949489805.db2.gz VSFTVDJCTMSMDG-GOEBONIOSA-N -1 3 397.429 3.438 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575870580 949489815 /nfs/dbraw/zinc/48/98/15/949489815.db2.gz VSFTVDJCTMSMDG-GOEBONIOSA-N -1 3 397.429 3.438 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575870936 949500880 /nfs/dbraw/zinc/50/08/80/949500880.db2.gz XJPYDULLEWHYEC-APMMZXSISA-N -1 3 387.487 3.450 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575870936 949500903 /nfs/dbraw/zinc/50/09/03/949500903.db2.gz XJPYDULLEWHYEC-APMMZXSISA-N -1 3 387.487 3.450 20 0 GGADHM C[C@H]1CCC[C@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001576160087 949525098 /nfs/dbraw/zinc/52/50/98/949525098.db2.gz ZOFOBYJTMRWIKQ-YOEHRIQHSA-N -1 3 391.479 3.040 20 0 GGADHM C[C@H]1CCC[C@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001576160087 949525107 /nfs/dbraw/zinc/52/51/07/949525107.db2.gz ZOFOBYJTMRWIKQ-YOEHRIQHSA-N -1 3 391.479 3.040 20 0 GGADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001576160081 949525307 /nfs/dbraw/zinc/52/53/07/949525307.db2.gz ZOFOBYJTMRWIKQ-PBHICJAKSA-N -1 3 391.479 3.040 20 0 GGADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001576160081 949525318 /nfs/dbraw/zinc/52/53/18/949525318.db2.gz ZOFOBYJTMRWIKQ-PBHICJAKSA-N -1 3 391.479 3.040 20 0 GGADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001576160085 949525905 /nfs/dbraw/zinc/52/59/05/949525905.db2.gz ZOFOBYJTMRWIKQ-WMLDXEAASA-N -1 3 391.479 3.040 20 0 GGADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001576160085 949525926 /nfs/dbraw/zinc/52/59/26/949525926.db2.gz ZOFOBYJTMRWIKQ-WMLDXEAASA-N -1 3 391.479 3.040 20 0 GGADHM C[C@H](CNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC001574950167 949527086 /nfs/dbraw/zinc/52/70/86/949527086.db2.gz MDEZSGPWVCCMIX-SNVBAGLBSA-N -1 3 392.435 3.152 20 0 GGADHM C[C@H](CNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC001574950167 949527101 /nfs/dbraw/zinc/52/71/01/949527101.db2.gz MDEZSGPWVCCMIX-SNVBAGLBSA-N -1 3 392.435 3.152 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001576163386 949529033 /nfs/dbraw/zinc/52/90/33/949529033.db2.gz ARMBDJHQXCLTMT-ZWNOBZJWSA-N -1 3 381.278 3.031 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001576163386 949529052 /nfs/dbraw/zinc/52/90/52/949529052.db2.gz ARMBDJHQXCLTMT-ZWNOBZJWSA-N -1 3 381.278 3.031 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)Oc1ccc(Cl)cc1 ZINC001574951002 949550127 /nfs/dbraw/zinc/55/01/27/949550127.db2.gz VYGFRGCLGPVLID-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)Oc1ccc(Cl)cc1 ZINC001574951002 949550137 /nfs/dbraw/zinc/55/01/37/949550137.db2.gz VYGFRGCLGPVLID-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC001574473259 949566508 /nfs/dbraw/zinc/56/65/08/949566508.db2.gz ZLGMGJHPIAKDJI-HNNXBMFYSA-N -1 3 399.458 3.498 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC001574473259 949566516 /nfs/dbraw/zinc/56/65/16/949566516.db2.gz ZLGMGJHPIAKDJI-HNNXBMFYSA-N -1 3 399.458 3.498 20 0 GGADHM CC(C)[C@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCC[C@H](C)C1 ZINC001576165928 949574423 /nfs/dbraw/zinc/57/44/23/949574423.db2.gz KKXLXSZYIOWTER-LRDDRELGSA-N -1 3 377.489 3.381 20 0 GGADHM CC(C)C[C@H](C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1)c1ccccc1 ZINC001574125487 949584950 /nfs/dbraw/zinc/58/49/50/949584950.db2.gz QLFUQDGTSOCESA-FQEVSTJZSA-N -1 3 391.475 3.286 20 0 GGADHM CC(C)C[C@@H](C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1)c1ccccc1 ZINC001574125488 949588144 /nfs/dbraw/zinc/58/81/44/949588144.db2.gz QLFUQDGTSOCESA-HXUWFJFHSA-N -1 3 391.475 3.286 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001595258064 949637923 /nfs/dbraw/zinc/63/79/23/949637923.db2.gz UGBCMCWEWGIHHJ-UHFFFAOYSA-N -1 3 381.428 3.324 20 0 GGADHM C[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001576169188 949667512 /nfs/dbraw/zinc/66/75/12/949667512.db2.gz IJRQXPUEWPKQAA-AAEUAGOBSA-N -1 3 392.301 3.114 20 0 GGADHM C[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001576169188 949667518 /nfs/dbraw/zinc/66/75/18/949667518.db2.gz IJRQXPUEWPKQAA-AAEUAGOBSA-N -1 3 392.301 3.114 20 0 GGADHM C[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001576169193 949667952 /nfs/dbraw/zinc/66/79/52/949667952.db2.gz IJRQXPUEWPKQAA-YPMHNXCESA-N -1 3 392.301 3.114 20 0 GGADHM C[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001576169193 949667961 /nfs/dbraw/zinc/66/79/61/949667961.db2.gz IJRQXPUEWPKQAA-YPMHNXCESA-N -1 3 392.301 3.114 20 0 GGADHM CCCCC1(NCC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)[O-])CC1 ZINC001589639955 949675335 /nfs/dbraw/zinc/67/53/35/949675335.db2.gz QMFPMJKIWJFTNY-UHFFFAOYSA-N -1 3 382.482 3.182 20 0 GGADHM CCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001589658505 949824540 /nfs/dbraw/zinc/82/45/40/949824540.db2.gz ANOGQERSSQDISS-AABGKKOBSA-N -1 3 387.524 3.326 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCC1(F)CCC1 ZINC001576178264 949882692 /nfs/dbraw/zinc/88/26/92/949882692.db2.gz GZXJANJYGXZBRN-CQSZACIVSA-N -1 3 396.474 3.396 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCC1(F)CCC1 ZINC001576178264 949882716 /nfs/dbraw/zinc/88/27/16/949882716.db2.gz GZXJANJYGXZBRN-CQSZACIVSA-N -1 3 396.474 3.396 20 0 GGADHM CC(C)(C)[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC001573826909 949908966 /nfs/dbraw/zinc/90/89/66/949908966.db2.gz JGTWIPYREUBRSK-MRXNPFEDSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)(C)[C@@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC001573826909 949908979 /nfs/dbraw/zinc/90/89/79/949908979.db2.gz JGTWIPYREUBRSK-MRXNPFEDSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)(C)[C@@H]1CCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)CCO1 ZINC001573828251 949933006 /nfs/dbraw/zinc/93/30/06/949933006.db2.gz PWCWCWRJPWHTMP-AWEZNQCLSA-N -1 3 398.280 3.410 20 0 GGADHM CC(C)(C)[C@@H]1CCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)CCO1 ZINC001573828251 949933018 /nfs/dbraw/zinc/93/30/18/949933018.db2.gz PWCWCWRJPWHTMP-AWEZNQCLSA-N -1 3 398.280 3.410 20 0 GGADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573831444 949999318 /nfs/dbraw/zinc/99/93/18/949999318.db2.gz YMSXBBVWPRBRTK-QGZVFWFLSA-N -1 3 396.495 3.110 20 0 GGADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573831444 949999331 /nfs/dbraw/zinc/99/93/31/949999331.db2.gz YMSXBBVWPRBRTK-QGZVFWFLSA-N -1 3 396.495 3.110 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@@H]1CC=CCC1 ZINC001576181681 950013807 /nfs/dbraw/zinc/01/38/07/950013807.db2.gz VUMHARZRFBIMSZ-HZPDHXFCSA-N -1 3 390.495 3.470 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@@H]1CC=CCC1 ZINC001576181681 950013827 /nfs/dbraw/zinc/01/38/27/950013827.db2.gz VUMHARZRFBIMSZ-HZPDHXFCSA-N -1 3 390.495 3.470 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@H]1CC=CCC1 ZINC001576181674 950014398 /nfs/dbraw/zinc/01/43/98/950014398.db2.gz VUMHARZRFBIMSZ-HOTGVXAUSA-N -1 3 390.495 3.470 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@H]1CC=CCC1 ZINC001576181674 950014417 /nfs/dbraw/zinc/01/44/17/950014417.db2.gz VUMHARZRFBIMSZ-HOTGVXAUSA-N -1 3 390.495 3.470 20 0 GGADHM C[C@H](C(=O)[O-])N(Cc1ccc(I)cc1Cl)C1CC1 ZINC001602821424 971626932 /nfs/dbraw/zinc/62/69/32/971626932.db2.gz DPSUNEXDDHPPJY-MRVPVSSYSA-N -1 3 379.625 3.382 20 0 GGADHM C[C@H](CN(C)C(=O)OC(C)(C)C)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001574730570 950029756 /nfs/dbraw/zinc/02/97/56/950029756.db2.gz AATSZRHTWGUJEN-SNVBAGLBSA-N -1 3 389.485 3.144 20 0 GGADHM C[C@H](CN(C)C(=O)OC(C)(C)C)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001574730570 950029778 /nfs/dbraw/zinc/02/97/78/950029778.db2.gz AATSZRHTWGUJEN-SNVBAGLBSA-N -1 3 389.485 3.144 20 0 GGADHM CC(C)(C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001573843379 950173763 /nfs/dbraw/zinc/17/37/63/950173763.db2.gz WJVGMGNFBJJLAI-INIZCTEOSA-N -1 3 391.541 3.233 20 0 GGADHM CC(C)(C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001573843379 950173775 /nfs/dbraw/zinc/17/37/75/950173775.db2.gz WJVGMGNFBJJLAI-INIZCTEOSA-N -1 3 391.541 3.233 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1c1ccccc1 ZINC001576191080 950182849 /nfs/dbraw/zinc/18/28/49/950182849.db2.gz GBLQHKFDQDBPHQ-SCLBCKFNSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)[C@H]1c1ccccc1 ZINC001576191080 950182859 /nfs/dbraw/zinc/18/28/59/950182859.db2.gz GBLQHKFDQDBPHQ-SCLBCKFNSA-N -1 3 380.427 3.299 20 0 GGADHM Cc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000262964983 950200514 /nfs/dbraw/zinc/20/05/14/950200514.db2.gz JKHRGFNMFBIWOI-FQEVSTJZSA-N -1 3 381.476 3.330 20 0 GGADHM CC[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000263004020 950211871 /nfs/dbraw/zinc/21/18/71/950211871.db2.gz NBBXCUJPCMYHFA-HXUWFJFHSA-N -1 3 381.476 3.021 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000263093545 950259200 /nfs/dbraw/zinc/25/92/00/950259200.db2.gz ALESXWZJLVFJBL-YESZJQIVSA-N -1 3 393.553 3.273 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000263093537 950259362 /nfs/dbraw/zinc/25/93/62/950259362.db2.gz ALESXWZJLVFJBL-BRWVUGGUSA-N -1 3 393.553 3.273 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)[C@@H]1c1ccccc1 ZINC001576192900 950272348 /nfs/dbraw/zinc/27/23/48/950272348.db2.gz RFJQIJVSSRUEBN-ACJLOTCBSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@@H]1c1ccccc1 ZINC001576192900 950272373 /nfs/dbraw/zinc/27/23/73/950272373.db2.gz RFJQIJVSSRUEBN-ACJLOTCBSA-N -1 3 380.427 3.299 20 0 GGADHM CCN(C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001589705823 950281529 /nfs/dbraw/zinc/28/15/29/950281529.db2.gz BHPLQHRISZMFMJ-IBGZPJMESA-N -1 3 381.476 3.442 20 0 GGADHM CCN(C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001589705824 950282065 /nfs/dbraw/zinc/28/20/65/950282065.db2.gz BHPLQHRISZMFMJ-LJQANCHMSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@@H]1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1(C)C ZINC001576193282 950293267 /nfs/dbraw/zinc/29/32/67/950293267.db2.gz UJBPDJIXEQFLNM-CQSZACIVSA-N -1 3 388.541 3.178 20 0 GGADHM C[C@@H]1CCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1(C)C ZINC001576193282 950293284 /nfs/dbraw/zinc/29/32/84/950293284.db2.gz UJBPDJIXEQFLNM-CQSZACIVSA-N -1 3 388.541 3.178 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)ccn2)c2cc(Cl)ccc2S1 ZINC001576193414 950296901 /nfs/dbraw/zinc/29/69/01/950296901.db2.gz USENQQKKYQORQK-JTQLQIEISA-N -1 3 386.868 3.446 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)c2cc(Cl)ccc2S1 ZINC001576193414 950296917 /nfs/dbraw/zinc/29/69/17/950296917.db2.gz USENQQKKYQORQK-JTQLQIEISA-N -1 3 386.868 3.446 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001573853126 950316685 /nfs/dbraw/zinc/31/66/85/950316685.db2.gz LLJNBORAQJHDBK-CQSZACIVSA-N -1 3 376.436 3.207 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001573853126 950316705 /nfs/dbraw/zinc/31/67/05/950316705.db2.gz LLJNBORAQJHDBK-CQSZACIVSA-N -1 3 376.436 3.207 20 0 GGADHM CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263333504 950378013 /nfs/dbraw/zinc/37/80/13/950378013.db2.gz CXTZSKSYCRCQFX-UHFFFAOYSA-N -1 3 383.492 3.091 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263361108 950400076 /nfs/dbraw/zinc/40/00/76/950400076.db2.gz RXWBJAGAPBCSDT-HQRMLTQVSA-N -1 3 388.508 3.182 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263361111 950400466 /nfs/dbraw/zinc/40/04/66/950400466.db2.gz RXWBJAGAPBCSDT-QRFRQXIXSA-N -1 3 388.508 3.182 20 0 GGADHM C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1F ZINC001574506123 950427283 /nfs/dbraw/zinc/42/72/83/950427283.db2.gz BNVZMYQRXKEBJR-JTQLQIEISA-N -1 3 375.354 3.094 20 0 GGADHM C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1F ZINC001574506123 950427294 /nfs/dbraw/zinc/42/72/94/950427294.db2.gz BNVZMYQRXKEBJR-JTQLQIEISA-N -1 3 375.354 3.094 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(CNc2cccc(-c3nnn[n-]3)c2)on1 ZINC001573861121 950439310 /nfs/dbraw/zinc/43/93/10/950439310.db2.gz URTXZKPEYWPGDD-UHFFFAOYSA-N -1 3 399.455 3.227 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(CNc2cccc(-c3nn[n-]n3)c2)on1 ZINC001573861121 950439317 /nfs/dbraw/zinc/43/93/17/950439317.db2.gz URTXZKPEYWPGDD-UHFFFAOYSA-N -1 3 399.455 3.227 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CNc1cccc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001573861133 950439386 /nfs/dbraw/zinc/43/93/86/950439386.db2.gz UYSGUQKERZFLDL-GFCCVEGCSA-N -1 3 386.378 3.124 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CNc1cccc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001573861133 950439397 /nfs/dbraw/zinc/43/93/97/950439397.db2.gz UYSGUQKERZFLDL-GFCCVEGCSA-N -1 3 386.378 3.124 20 0 GGADHM CC(C)CC1(C(=O)NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001574165292 950442678 /nfs/dbraw/zinc/44/26/78/950442678.db2.gz CIQXGQFJRVRFQI-UHFFFAOYSA-N -1 3 393.495 3.100 20 0 GGADHM CC(C)CC1(C(=O)NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001574165292 950442691 /nfs/dbraw/zinc/44/26/91/950442691.db2.gz CIQXGQFJRVRFQI-UHFFFAOYSA-N -1 3 393.495 3.100 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)cc1 ZINC000263403905 950442937 /nfs/dbraw/zinc/44/29/37/950442937.db2.gz SOVVLOILWGSIMQ-MHJFOBGBSA-N -1 3 389.540 3.430 20 0 GGADHM CC(C)(C)OC(=O)c1ccsc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573863618 950485827 /nfs/dbraw/zinc/48/58/27/950485827.db2.gz MJMFPMRXKOKVQZ-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM CC(C)(C)OC(=O)c1ccsc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573863618 950485838 /nfs/dbraw/zinc/48/58/38/950485838.db2.gz MJMFPMRXKOKVQZ-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM CC(C)CC1(CNC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CCCC1 ZINC001574167736 950488019 /nfs/dbraw/zinc/48/80/19/950488019.db2.gz HVFCVWNIHHTEQD-GOSISDBHSA-N -1 3 382.512 3.240 20 0 GGADHM CC(C)CC1(CNC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CCCC1 ZINC001574167736 950488036 /nfs/dbraw/zinc/48/80/36/950488036.db2.gz HVFCVWNIHHTEQD-GOSISDBHSA-N -1 3 382.512 3.240 20 0 GGADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573863785 950489542 /nfs/dbraw/zinc/48/95/42/950489542.db2.gz QMDAGIBNAWEARV-MLHJIOFPSA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573863785 950489553 /nfs/dbraw/zinc/48/95/53/950489553.db2.gz QMDAGIBNAWEARV-MLHJIOFPSA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCO1 ZINC001574167629 950490359 /nfs/dbraw/zinc/49/03/59/950490359.db2.gz GRWWMOHKVMBHDX-HOTGVXAUSA-N -1 3 384.484 3.459 20 0 GGADHM CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCO1 ZINC001574167629 950490371 /nfs/dbraw/zinc/49/03/71/950490371.db2.gz GRWWMOHKVMBHDX-HOTGVXAUSA-N -1 3 384.484 3.459 20 0 GGADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC001574995673 950513660 /nfs/dbraw/zinc/51/36/60/950513660.db2.gz GLCWIJNQCGCDQG-SECBINFHSA-N -1 3 392.282 3.224 20 0 GGADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC001574995673 950513678 /nfs/dbraw/zinc/51/36/78/950513678.db2.gz GLCWIJNQCGCDQG-SECBINFHSA-N -1 3 392.282 3.224 20 0 GGADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCCCO1 ZINC001575614419 950530455 /nfs/dbraw/zinc/53/04/55/950530455.db2.gz BQHUZERJFLRKIG-GOSISDBHSA-N -1 3 375.498 3.485 20 0 GGADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCCCO1 ZINC001575614419 950530473 /nfs/dbraw/zinc/53/04/73/950530473.db2.gz BQHUZERJFLRKIG-GOSISDBHSA-N -1 3 375.498 3.485 20 0 GGADHM C[C@H]1C[C@@H]1Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)CC1 ZINC001576213774 950647782 /nfs/dbraw/zinc/64/77/82/950647782.db2.gz IBTQLVZBXRARKE-WMLDXEAASA-N -1 3 378.484 3.018 20 0 GGADHM C[C@H]1C[C@@H]1Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)CC1 ZINC001576213774 950647795 /nfs/dbraw/zinc/64/77/95/950647795.db2.gz IBTQLVZBXRARKE-WMLDXEAASA-N -1 3 378.484 3.018 20 0 GGADHM CC1(C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C[C@H]1OCc1ccccc1 ZINC001575623851 950657934 /nfs/dbraw/zinc/65/79/34/950657934.db2.gz KYMDNESNCNENGO-QZTJIDSGSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C[C@H]1OCc1ccccc1 ZINC001575623851 950657954 /nfs/dbraw/zinc/65/79/54/950657954.db2.gz KYMDNESNCNENGO-QZTJIDSGSA-N -1 3 395.438 3.120 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cccc3c2C(=O)CC3)cc1-c1nnn[n-]1 ZINC001573875952 950659661 /nfs/dbraw/zinc/65/96/61/950659661.db2.gz AEJPMWBXQYUMFF-UHFFFAOYSA-N -1 3 391.431 3.425 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cccc3c2C(=O)CC3)cc1-c1nn[n-]n1 ZINC001573875952 950659676 /nfs/dbraw/zinc/65/96/76/950659676.db2.gz AEJPMWBXQYUMFF-UHFFFAOYSA-N -1 3 391.431 3.425 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3ccccc3CC(=O)[O-])c(C)c2)CC1 ZINC001589744627 950663182 /nfs/dbraw/zinc/66/31/82/950663182.db2.gz XIXRHVRNEZTDGJ-UHFFFAOYSA-N -1 3 396.491 3.408 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@@]23CCO[C@H]2CCCC3)cc1-c1nnn[n-]1 ZINC001573876296 950666654 /nfs/dbraw/zinc/66/66/54/950666654.db2.gz KAVWQCPMKIOQEE-JXFKEZNVSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@@]23CCO[C@H]2CCCC3)cc1-c1nn[n-]n1 ZINC001573876296 950666665 /nfs/dbraw/zinc/66/66/65/950666665.db2.gz KAVWQCPMKIOQEE-JXFKEZNVSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)Nc2cc(CC3CC3)[nH]n2)cc1-c1nnn[n-]1 ZINC001573876294 950667375 /nfs/dbraw/zinc/66/73/75/950667375.db2.gz JYIHENSGVWAVST-UHFFFAOYSA-N -1 3 396.455 3.364 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)Nc2cc(CC3CC3)[nH]n2)cc1-c1nn[n-]n1 ZINC001573876294 950667391 /nfs/dbraw/zinc/66/73/91/950667391.db2.gz JYIHENSGVWAVST-UHFFFAOYSA-N -1 3 396.455 3.364 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)CN2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC001573876274 950668464 /nfs/dbraw/zinc/66/84/64/950668464.db2.gz IYKOSEHBAWJNMP-UHFFFAOYSA-N -1 3 392.463 3.045 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)CN2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC001573876274 950668482 /nfs/dbraw/zinc/66/84/82/950668482.db2.gz IYKOSEHBAWJNMP-UHFFFAOYSA-N -1 3 392.463 3.045 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2nc(Cl)ccc2F)cc1-c1nnn[n-]1 ZINC001573876269 950668955 /nfs/dbraw/zinc/66/89/55/950668955.db2.gz ISJAUNLIANMOKT-UHFFFAOYSA-N -1 3 390.806 3.484 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2nc(Cl)ccc2F)cc1-c1nn[n-]n1 ZINC001573876269 950668965 /nfs/dbraw/zinc/66/89/65/950668965.db2.gz ISJAUNLIANMOKT-UHFFFAOYSA-N -1 3 390.806 3.484 20 0 GGADHM C[C@H]1CCc2c(sc3ncnc(NCc4cncc(-c5nnn[n-]5)c4)c23)C1 ZINC001576214416 950670073 /nfs/dbraw/zinc/67/00/73/950670073.db2.gz ADBXFAIMFUQESV-JTQLQIEISA-N -1 3 378.465 3.003 20 0 GGADHM C[C@H]1CCc2c(sc3ncnc(NCc4cncc(-c5nn[n-]n5)c4)c23)C1 ZINC001576214416 950670082 /nfs/dbraw/zinc/67/00/82/950670082.db2.gz ADBXFAIMFUQESV-JTQLQIEISA-N -1 3 378.465 3.003 20 0 GGADHM CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001573876528 950675874 /nfs/dbraw/zinc/67/58/74/950675874.db2.gz PGWTWYOEHNXTKP-UHFFFAOYSA-N -1 3 383.427 3.156 20 0 GGADHM CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001573876528 950675891 /nfs/dbraw/zinc/67/58/91/950675891.db2.gz PGWTWYOEHNXTKP-UHFFFAOYSA-N -1 3 383.427 3.156 20 0 GGADHM CC(C)(C)Oc1cccc(CNC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001573876974 950685842 /nfs/dbraw/zinc/68/58/42/950685842.db2.gz YYTVGFLIAXVSFZ-UHFFFAOYSA-N -1 3 391.475 3.392 20 0 GGADHM CC(C)(C)Oc1cccc(CNC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001573876974 950685859 /nfs/dbraw/zinc/68/58/59/950685859.db2.gz YYTVGFLIAXVSFZ-UHFFFAOYSA-N -1 3 391.475 3.392 20 0 GGADHM CC1(C)CC(C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)CC(C)(C)C1 ZINC001575625620 950692334 /nfs/dbraw/zinc/69/23/34/950692334.db2.gz VIQKMYPWGNIQTR-UHFFFAOYSA-N -1 3 382.512 3.342 20 0 GGADHM CC1(C)CC(C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)CC(C)(C)C1 ZINC001575625620 950692343 /nfs/dbraw/zinc/69/23/43/950692343.db2.gz VIQKMYPWGNIQTR-UHFFFAOYSA-N -1 3 382.512 3.342 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)C[C@H]3CC(C)(C)CO3)c2-c2nnn[n-]2)C1 ZINC001576215198 950692725 /nfs/dbraw/zinc/69/27/25/950692725.db2.gz DQVAFMFFAWLZNK-QWRGUYRKSA-N -1 3 375.498 3.197 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)C[C@H]3CC(C)(C)CO3)c2-c2nn[n-]n2)C1 ZINC001576215198 950692733 /nfs/dbraw/zinc/69/27/33/950692733.db2.gz DQVAFMFFAWLZNK-QWRGUYRKSA-N -1 3 375.498 3.197 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1c(F)cccc1F ZINC001576215838 950716053 /nfs/dbraw/zinc/71/60/53/950716053.db2.gz GPKXUMBAMJVSAQ-MNOVXSKESA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1c(F)cccc1F ZINC001576215838 950716067 /nfs/dbraw/zinc/71/60/67/950716067.db2.gz GPKXUMBAMJVSAQ-MNOVXSKESA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H]1CN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CC2)CC[C@@H]1C ZINC001576215963 950719900 /nfs/dbraw/zinc/71/99/00/950719900.db2.gz XIDZTRVSFYBKLD-KBPBESRZSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@H]1CN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CC2)CC[C@@H]1C ZINC001576215963 950719914 /nfs/dbraw/zinc/71/99/14/950719914.db2.gz XIDZTRVSFYBKLD-KBPBESRZSA-N -1 3 378.484 3.018 20 0 GGADHM CC1CCN(c2ccc(C(=O)N3Cc4cccc(-c5nnn[n-]5)c4C3)cc2)CC1 ZINC001576216137 950723349 /nfs/dbraw/zinc/72/33/49/950723349.db2.gz YSKGGXCEBYCNMP-UHFFFAOYSA-N -1 3 388.475 3.259 20 0 GGADHM CC1CCN(c2ccc(C(=O)N3Cc4cccc(-c5nn[n-]n5)c4C3)cc2)CC1 ZINC001576216137 950723363 /nfs/dbraw/zinc/72/33/63/950723363.db2.gz YSKGGXCEBYCNMP-UHFFFAOYSA-N -1 3 388.475 3.259 20 0 GGADHM CC(C)(C)c1cc(NC(=O)NCC2CCC2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573879940 950736696 /nfs/dbraw/zinc/73/66/96/950736696.db2.gz PJTFYPYYTWLWOL-UHFFFAOYSA-N -1 3 394.483 3.272 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216448 950736869 /nfs/dbraw/zinc/73/68/69/950736869.db2.gz JJUBKRGMQOFQLI-QWRGUYRKSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216448 950736888 /nfs/dbraw/zinc/73/68/88/950736888.db2.gz JJUBKRGMQOFQLI-QWRGUYRKSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)n1ccnc1 ZINC001574520603 950738457 /nfs/dbraw/zinc/73/84/57/950738457.db2.gz VHIFONGMEGBCFE-CQSZACIVSA-N -1 3 389.419 3.445 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574520603 950738477 /nfs/dbraw/zinc/73/84/77/950738477.db2.gz VHIFONGMEGBCFE-CQSZACIVSA-N -1 3 389.419 3.445 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001573881227 950743850 /nfs/dbraw/zinc/74/38/50/950743850.db2.gz AIHJUKYNBPDOEJ-UHFFFAOYSA-N -1 3 382.855 3.416 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001573881235 950744640 /nfs/dbraw/zinc/74/46/40/950744640.db2.gz AOUOJWIPIWWQQO-UHFFFAOYSA-N -1 3 377.448 3.132 20 0 GGADHM C[C@H]1c2c(sc(NC(=O)COC(F)(F)F)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576217289 950753325 /nfs/dbraw/zinc/75/33/25/950753325.db2.gz LUHKADIEIZJPGM-NKWVEPMBSA-N -1 3 375.376 3.089 20 0 GGADHM C[C@H]1c2c(sc(NC(=O)COC(F)(F)F)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576217289 950753342 /nfs/dbraw/zinc/75/33/42/950753342.db2.gz LUHKADIEIZJPGM-NKWVEPMBSA-N -1 3 375.376 3.089 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)[C@H]3CCc4cc(F)ccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576217285 950754493 /nfs/dbraw/zinc/75/44/93/950754493.db2.gz LSDQDROSUCRVHF-ZBEGNZNMSA-N -1 3 392.438 3.194 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)[C@H]3CCc4cc(F)ccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576217285 950754509 /nfs/dbraw/zinc/75/45/09/950754509.db2.gz LSDQDROSUCRVHF-ZBEGNZNMSA-N -1 3 392.438 3.194 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573882294 950776386 /nfs/dbraw/zinc/77/63/86/950776386.db2.gz YQCFOODYQYEQDI-UHFFFAOYSA-N -1 3 384.509 3.268 20 0 GGADHM CC(C)CCC1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC001574184424 950778881 /nfs/dbraw/zinc/77/88/81/950778881.db2.gz JTFFJFZFHCOTAQ-UHFFFAOYSA-N -1 3 397.932 3.357 20 0 GGADHM CC(C)CCC1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC001574184424 950778901 /nfs/dbraw/zinc/77/89/01/950778901.db2.gz JTFFJFZFHCOTAQ-UHFFFAOYSA-N -1 3 397.932 3.357 20 0 GGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2 ZINC001576218289 950781657 /nfs/dbraw/zinc/78/16/57/950781657.db2.gz QCFKRIVTVAAZIQ-UONOGXRCSA-N -1 3 398.511 3.453 20 0 GGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2 ZINC001576218289 950781668 /nfs/dbraw/zinc/78/16/68/950781668.db2.gz QCFKRIVTVAAZIQ-UONOGXRCSA-N -1 3 398.511 3.453 20 0 GGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2 ZINC001576218288 950781688 /nfs/dbraw/zinc/78/16/88/950781688.db2.gz QCFKRIVTVAAZIQ-KGLIPLIRSA-N -1 3 398.511 3.453 20 0 GGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2 ZINC001576218288 950781695 /nfs/dbraw/zinc/78/16/95/950781695.db2.gz QCFKRIVTVAAZIQ-KGLIPLIRSA-N -1 3 398.511 3.453 20 0 GGADHM CCOC(=O)[C@@H](CCc1ccccc1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001590128780 950789240 /nfs/dbraw/zinc/78/92/40/950789240.db2.gz AVVVYBHUUZNMPS-PWRODBHTSA-N -1 3 381.472 3.351 20 0 GGADHM CC(C)(C)c1csc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001573884209 950790313 /nfs/dbraw/zinc/79/03/13/950790313.db2.gz LMZJIKCGIVXVJE-AWEZNQCLSA-N -1 3 382.493 3.428 20 0 GGADHM CC(C)(C)c1csc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001573884209 950790327 /nfs/dbraw/zinc/79/03/27/950790327.db2.gz LMZJIKCGIVXVJE-AWEZNQCLSA-N -1 3 382.493 3.428 20 0 GGADHM CC(C)CC[C@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574184961 950790761 /nfs/dbraw/zinc/79/07/61/950790761.db2.gz PXRAJSNOGJRWQC-HNNXBMFYSA-N -1 3 393.495 3.428 20 0 GGADHM CC(C)CC[C@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574184961 950790775 /nfs/dbraw/zinc/79/07/75/950790775.db2.gz PXRAJSNOGJRWQC-HNNXBMFYSA-N -1 3 393.495 3.428 20 0 GGADHM CC(C)(C)c1ncc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)cn1 ZINC001573884344 950797742 /nfs/dbraw/zinc/79/77/42/950797742.db2.gz DEOQVGSABLTZBA-UHFFFAOYSA-N -1 3 391.479 3.405 20 0 GGADHM CC(C)(C)c1ncc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)cn1 ZINC001573884344 950797760 /nfs/dbraw/zinc/79/77/60/950797760.db2.gz DEOQVGSABLTZBA-UHFFFAOYSA-N -1 3 391.479 3.405 20 0 GGADHM CC(C)(C)c1ccccc1S(=O)(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573885066 950811527 /nfs/dbraw/zinc/81/15/27/950811527.db2.gz REKXIISFKDVYPB-UHFFFAOYSA-N -1 3 399.520 3.378 20 0 GGADHM CC(C)(C)c1ccccc1S(=O)(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573885066 950811541 /nfs/dbraw/zinc/81/15/41/950811541.db2.gz REKXIISFKDVYPB-UHFFFAOYSA-N -1 3 399.520 3.378 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001573887454 950844167 /nfs/dbraw/zinc/84/41/67/950844167.db2.gz BPAIIVAUSWOQLU-UHFFFAOYSA-N -1 3 394.414 3.000 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001573887454 950844190 /nfs/dbraw/zinc/84/41/90/950844190.db2.gz BPAIIVAUSWOQLU-UHFFFAOYSA-N -1 3 394.414 3.000 20 0 GGADHM O=C([O-])C[C@H]1CCCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001594990787 951043225 /nfs/dbraw/zinc/04/32/25/951043225.db2.gz KDZWTMCFTXFYEW-GOSISDBHSA-N -1 3 395.503 3.262 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1C ZINC001591427102 951142138 /nfs/dbraw/zinc/14/21/38/951142138.db2.gz ZWHQFKCFOYUJNO-DGCLKSJQSA-N -1 3 396.509 3.380 20 0 GGADHM CC(C)C[C@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000379607529 951169248 /nfs/dbraw/zinc/16/92/48/951169248.db2.gz FGEVNQCQTBIGTB-RTBURBONSA-N -1 3 375.513 3.087 20 0 GGADHM CCOc1ccc(Cl)cc1CN1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001592663468 951347944 /nfs/dbraw/zinc/34/79/44/951347944.db2.gz XVBWTVJKBAAWOY-ZFWWWQNUSA-N -1 3 377.872 3.163 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001602868788 971738958 /nfs/dbraw/zinc/73/89/58/971738958.db2.gz RZGDIOQIGMMYTP-NRFANRHFSA-N -1 3 376.472 3.303 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000397958986 951576516 /nfs/dbraw/zinc/57/65/16/951576516.db2.gz OEBVUCWUYVNMER-MOPGFXCFSA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2CCOc1ccccc1C(=O)[O-] ZINC001602889821 971797220 /nfs/dbraw/zinc/79/72/20/971797220.db2.gz SLZZUBTZAJMBFB-IAGOWNOFSA-N -1 3 390.480 3.237 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001595159112 952186677 /nfs/dbraw/zinc/18/66/77/952186677.db2.gz IBYDWUYXCNUYAX-OAHLLOKOSA-N -1 3 391.349 3.140 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(Cc1ccco1)c1ccccn1 ZINC001575184726 952422862 /nfs/dbraw/zinc/42/28/62/952422862.db2.gz BDXYAKRCMLRILI-OAHLLOKOSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccco1)c1ccccn1 ZINC001575184726 952422865 /nfs/dbraw/zinc/42/28/65/952422865.db2.gz BDXYAKRCMLRILI-OAHLLOKOSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575187283 952439887 /nfs/dbraw/zinc/43/98/87/952439887.db2.gz BPMXIBKJBKRSCF-JTQLQIEISA-N -1 3 393.344 3.386 20 0 GGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575187283 952439890 /nfs/dbraw/zinc/43/98/90/952439890.db2.gz BPMXIBKJBKRSCF-JTQLQIEISA-N -1 3 393.344 3.386 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC001575187338 952440272 /nfs/dbraw/zinc/44/02/72/952440272.db2.gz BLJFLTYGFHLRJS-CQSZACIVSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC001575187338 952440275 /nfs/dbraw/zinc/44/02/75/952440275.db2.gz BLJFLTYGFHLRJS-CQSZACIVSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001575187598 952442723 /nfs/dbraw/zinc/44/27/23/952442723.db2.gz DIUWRJQRQJKZJM-VIFPVBQESA-N -1 3 392.246 3.240 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001575187598 952442726 /nfs/dbraw/zinc/44/27/26/952442726.db2.gz DIUWRJQRQJKZJM-VIFPVBQESA-N -1 3 392.246 3.240 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(C(C)(C)C)cn1 ZINC001575187727 952443410 /nfs/dbraw/zinc/44/34/10/952443410.db2.gz FFVSAVGBLCMMDU-CQSZACIVSA-N -1 3 379.464 3.481 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C(C)(C)C)cn1 ZINC001575187727 952443414 /nfs/dbraw/zinc/44/34/14/952443414.db2.gz FFVSAVGBLCMMDU-CQSZACIVSA-N -1 3 379.464 3.481 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(OCC2CC2)cc1 ZINC001575188057 952446590 /nfs/dbraw/zinc/44/65/90/952446590.db2.gz GWQSRIYNZNYVJD-AWEZNQCLSA-N -1 3 378.432 3.440 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(OCC2CC2)cc1 ZINC001575188057 952446596 /nfs/dbraw/zinc/44/65/96/952446596.db2.gz GWQSRIYNZNYVJD-AWEZNQCLSA-N -1 3 378.432 3.440 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001575188140 952446807 /nfs/dbraw/zinc/44/68/07/952446807.db2.gz HIXSCRNCKLQCGX-SNVBAGLBSA-N -1 3 391.262 3.410 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001575188140 952446810 /nfs/dbraw/zinc/44/68/10/952446810.db2.gz HIXSCRNCKLQCGX-SNVBAGLBSA-N -1 3 391.262 3.410 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](C)c1ccc2c(c1)CCO2 ZINC001575188963 952452508 /nfs/dbraw/zinc/45/25/08/952452508.db2.gz LLMDLXONEBWBTO-ZIAGYGMSSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)c1ccc2c(c1)CCO2 ZINC001575188963 952452514 /nfs/dbraw/zinc/45/25/14/952452514.db2.gz LLMDLXONEBWBTO-ZIAGYGMSSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC001575189048 952454482 /nfs/dbraw/zinc/45/44/82/952454482.db2.gz MYMPOOPEKFNJIB-AWEZNQCLSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC001575189048 952454488 /nfs/dbraw/zinc/45/44/88/952454488.db2.gz MYMPOOPEKFNJIB-AWEZNQCLSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575189441 952457468 /nfs/dbraw/zinc/45/74/68/952457468.db2.gz OWOXESLBPWTYML-INIZCTEOSA-N -1 3 386.459 3.468 20 0 GGADHM C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575189441 952457474 /nfs/dbraw/zinc/45/74/74/952457474.db2.gz OWOXESLBPWTYML-INIZCTEOSA-N -1 3 386.459 3.468 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCSc1ccc(F)cc1 ZINC001575190052 952459740 /nfs/dbraw/zinc/45/97/40/952459740.db2.gz QXDVWCBDKJXFEQ-AWEZNQCLSA-N -1 3 399.495 3.483 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCSc1ccc(F)cc1 ZINC001575190052 952459743 /nfs/dbraw/zinc/45/97/43/952459743.db2.gz QXDVWCBDKJXFEQ-AWEZNQCLSA-N -1 3 399.495 3.483 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCSc1ccc(F)cc1 ZINC001575190063 952460116 /nfs/dbraw/zinc/46/01/16/952460116.db2.gz QXDVWCBDKJXFEQ-CQSZACIVSA-N -1 3 399.495 3.483 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCSc1ccc(F)cc1 ZINC001575190063 952460122 /nfs/dbraw/zinc/46/01/22/952460122.db2.gz QXDVWCBDKJXFEQ-CQSZACIVSA-N -1 3 399.495 3.483 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N=c1ccccn1Cc1ccccc1 ZINC001575191564 952467529 /nfs/dbraw/zinc/46/75/29/952467529.db2.gz XUAAHSNWGDVEEN-QGZVFWFLSA-N -1 3 398.470 3.023 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N=c1ccccn1Cc1ccccc1 ZINC001575191564 952467531 /nfs/dbraw/zinc/46/75/31/952467531.db2.gz XUAAHSNWGDVEEN-QGZVFWFLSA-N -1 3 398.470 3.023 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001575191688 952468528 /nfs/dbraw/zinc/46/85/28/952468528.db2.gz YSKZVXDRXKXIJM-HNNXBMFYSA-N -1 3 391.479 3.069 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(CNC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)s1 ZINC001602916066 971869479 /nfs/dbraw/zinc/86/94/79/971869479.db2.gz QZVRSDYKORKXHQ-FWHMADFJSA-N -1 3 381.494 3.205 20 0 GGADHM CSc1ccc([C@H](CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])N(C)C)cc1 ZINC000424398297 953463707 /nfs/dbraw/zinc/46/37/07/953463707.db2.gz NMDVYYUEEHOXMV-WBVHZDCISA-N -1 3 381.542 3.057 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(=O)[O-] ZINC000424409693 953474630 /nfs/dbraw/zinc/47/46/30/953474630.db2.gz JREYAORYPJMHKO-SFHVURJKSA-N -1 3 375.513 3.039 20 0 GGADHM O=C([O-])C[C@H]1CCCN(CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000532711700 953565781 /nfs/dbraw/zinc/56/57/81/953565781.db2.gz HUMYUNVRDQMHAM-GOSISDBHSA-N -1 3 396.487 3.069 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)N(C)C)cc1 ZINC000563379960 953598924 /nfs/dbraw/zinc/59/89/24/953598924.db2.gz MNPXUHBGWPSYEN-AZUAARDMSA-N -1 3 389.540 3.384 20 0 GGADHM O=C([O-])[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000563810802 953601632 /nfs/dbraw/zinc/60/16/32/953601632.db2.gz SPLZAGDVKRYYOU-IPMKNSEASA-N -1 3 384.863 3.246 20 0 GGADHM O=C([O-])[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000563810803 953602251 /nfs/dbraw/zinc/60/22/51/953602251.db2.gz SPLZAGDVKRYYOU-OTWHNJEPSA-N -1 3 384.863 3.246 20 0 GGADHM Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(C(=O)[O-])c3)CC2)c1 ZINC000573682502 953675434 /nfs/dbraw/zinc/67/54/34/953675434.db2.gz BNGJVVHBLLWRAN-UHFFFAOYSA-N -1 3 395.503 3.025 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000575311666 953684142 /nfs/dbraw/zinc/68/41/42/953684142.db2.gz SDOUAJYSWNTGMD-LIVBEALHSA-N -1 3 376.472 3.358 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000575311667 953684520 /nfs/dbraw/zinc/68/45/20/953684520.db2.gz SDOUAJYSWNTGMD-WIBUTAKZSA-N -1 3 376.472 3.358 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000576039851 953687915 /nfs/dbraw/zinc/68/79/15/953687915.db2.gz QISZRIRQYFKLKK-PKOBYXMFSA-N -1 3 396.487 3.067 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589303751 953716822 /nfs/dbraw/zinc/71/68/22/953716822.db2.gz CIHWQTMAHPHOEO-AGHHOFFYSA-N -1 3 392.499 3.346 20 0 GGADHM CCOC(=O)c1ccc2c(c1)nc(CN(CC(=O)[O-])CC(C)(C)C)n2CC ZINC000595884742 953773207 /nfs/dbraw/zinc/77/32/07/953773207.db2.gz BTWFQGFUSCFHOX-UHFFFAOYSA-N -1 3 375.469 3.166 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c2ccccc2)CC1 ZINC000626748905 953804125 /nfs/dbraw/zinc/80/41/25/953804125.db2.gz XQSNESCHYMLTQW-YZGWKJHDSA-N -1 3 387.524 3.212 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2)CC1 ZINC000626748902 953804265 /nfs/dbraw/zinc/80/42/65/953804265.db2.gz XQSNESCHYMLTQW-DFQSSKMNSA-N -1 3 387.524 3.212 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000629496474 953824698 /nfs/dbraw/zinc/82/46/98/953824698.db2.gz UMHODSWQFUGHTJ-AHRSYUTCSA-N -1 3 388.508 3.182 20 0 GGADHM C[C@@H]1CN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1C(=O)[O-] ZINC000629770854 953831543 /nfs/dbraw/zinc/83/15/43/953831543.db2.gz CRJFGSONFZCRGO-DYVFJYSZSA-N -1 3 381.398 3.493 20 0 GGADHM C[C@H]1CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000629502932 953833343 /nfs/dbraw/zinc/83/33/43/953833343.db2.gz SZTWLCCIHIMTFV-GUYCJALGSA-N -1 3 398.425 3.239 20 0 GGADHM Cn1nc(C(=O)[O-])cc1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000635312698 953878528 /nfs/dbraw/zinc/87/85/28/953878528.db2.gz DDRBKTFFOOMPMA-QGZVFWFLSA-N -1 3 397.397 3.395 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C(=O)[O-])CC2)N(C)C)cc1 ZINC000646158099 953939040 /nfs/dbraw/zinc/93/90/40/953939040.db2.gz AYVFKYZTSOVQHH-LJQANCHMSA-N -1 3 389.540 3.384 20 0 GGADHM CC1CCN([C@H](CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c2cccs2)CC1 ZINC000650290256 954011086 /nfs/dbraw/zinc/01/10/86/954011086.db2.gz JTODEVIULJSBAF-UZLBHIALSA-N -1 3 376.522 3.448 20 0 GGADHM CC1CCN([C@H](CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2cccs2)CC1 ZINC000650290255 954011255 /nfs/dbraw/zinc/01/12/55/954011255.db2.gz JTODEVIULJSBAF-OXQOHEQNSA-N -1 3 376.522 3.448 20 0 GGADHM CN(C)[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccsc1 ZINC001593692750 954053700 /nfs/dbraw/zinc/05/37/00/954053700.db2.gz GEWAHJRFFICJMQ-YOEHRIQHSA-N -1 3 377.510 3.035 20 0 GGADHM CN(C)[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccsc1 ZINC001593692749 954053728 /nfs/dbraw/zinc/05/37/28/954053728.db2.gz GEWAHJRFFICJMQ-WMLDXEAASA-N -1 3 377.510 3.035 20 0 GGADHM O=C([O-])[C@H]1CN(C[C@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470962 954089287 /nfs/dbraw/zinc/08/92/87/954089287.db2.gz OOPJCPUJLMNYNF-HOCLYGCPSA-N -1 3 395.377 3.129 20 0 GGADHM Cn1ccnc1COc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000652471006 954089991 /nfs/dbraw/zinc/08/99/91/954089991.db2.gz QCIXQLRPYGVAMI-FQEVSTJZSA-N -1 3 377.444 3.183 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001593699930 954104244 /nfs/dbraw/zinc/10/42/44/954104244.db2.gz VBCOLHBNOAUDGJ-UHFFFAOYSA-N -1 3 384.354 3.054 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC001589353696 954107884 /nfs/dbraw/zinc/10/78/84/954107884.db2.gz WTDVDUVNGREMQW-YHYVQYDKSA-N -1 3 392.499 3.203 20 0 GGADHM O=C([O-])[C@@H](NCc1cnc2ccc(Br)cn12)c1ccc(F)cc1 ZINC001594843680 954107872 /nfs/dbraw/zinc/10/78/72/954107872.db2.gz NTJUAZSLCMDALE-HNNXBMFYSA-N -1 3 378.201 3.151 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000653323340 954149581 /nfs/dbraw/zinc/14/95/81/954149581.db2.gz QXKKAIYPDLSEKB-JOCHJYFZSA-N -1 3 380.444 3.267 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000655864919 954249929 /nfs/dbraw/zinc/24/99/29/954249929.db2.gz HRWDHIYGIPPSJE-WFASDCNBSA-N -1 3 389.418 3.108 20 0 GGADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCCCC(=O)[O-] ZINC000656232049 954299292 /nfs/dbraw/zinc/29/92/92/954299292.db2.gz UKNMHGQYJUHEPW-SFHVURJKSA-N -1 3 384.480 3.222 20 0 GGADHM CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)CC(=O)[O-] ZINC000659395434 954322079 /nfs/dbraw/zinc/32/20/79/954322079.db2.gz NQEVDZPMMOIEGK-PMACEKPBSA-N -1 3 389.540 3.477 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000659417786 954342403 /nfs/dbraw/zinc/34/24/03/954342403.db2.gz RYEVXCPPRHOXJQ-VQTJNVASSA-N -1 3 389.540 3.429 20 0 GGADHM CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662204909 954378887 /nfs/dbraw/zinc/37/88/87/954378887.db2.gz WSCBNULKGTUBLA-KRWDZBQOSA-N -1 3 390.480 3.450 20 0 GGADHM O=C([O-])CN1CC[C@@H](N(Cc2ccccc2C(F)(F)F)C2CCCC2)C1=O ZINC000662207505 954381681 /nfs/dbraw/zinc/38/16/81/954381681.db2.gz YPLWOTKKPSPRHR-MRXNPFEDSA-N -1 3 384.398 3.136 20 0 GGADHM O=C([O-])CCC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000662218282 954386341 /nfs/dbraw/zinc/38/63/41/954386341.db2.gz WKZLODXANUTZMG-SFHVURJKSA-N -1 3 380.435 3.033 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001589400557 954422296 /nfs/dbraw/zinc/42/22/96/954422296.db2.gz DCHGLUGXIYAMLM-QGZVFWFLSA-N -1 3 381.476 3.300 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3cccc(C(=O)[O-])c3)C2)O1 ZINC001589400857 954425307 /nfs/dbraw/zinc/42/53/07/954425307.db2.gz IQNJXGAIHSSFRM-JPYJTQIMSA-N -1 3 380.488 3.250 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3cccc(C(=O)[O-])c3)C2)O1 ZINC001589400858 954425664 /nfs/dbraw/zinc/42/56/64/954425664.db2.gz IQNJXGAIHSSFRM-MBSDFSHPSA-N -1 3 380.488 3.250 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402084 954438949 /nfs/dbraw/zinc/43/89/49/954438949.db2.gz WYKJTEHIMJLHRQ-IERDGZPVSA-N -1 3 386.517 3.312 20 0 GGADHM O=C([O-])C1(NCc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)CCOCC1 ZINC001594882804 954440121 /nfs/dbraw/zinc/44/01/21/954440121.db2.gz RNHZWSNMADQUJF-UHFFFAOYSA-N -1 3 388.317 3.223 20 0 GGADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593756909 954461079 /nfs/dbraw/zinc/46/10/79/954461079.db2.gz LANSNSOXTCFUOH-SFHVURJKSA-N -1 3 382.464 3.298 20 0 GGADHM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000663114658 954507577 /nfs/dbraw/zinc/50/75/77/954507577.db2.gz NJNDTYSFSPVZNA-KRWDZBQOSA-N -1 3 396.915 3.046 20 0 GGADHM O=C([O-])CC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC000663119533 954513533 /nfs/dbraw/zinc/51/35/33/954513533.db2.gz LOMYGOALXJTGRW-KRWDZBQOSA-N -1 3 376.472 3.332 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666542563 954553281 /nfs/dbraw/zinc/55/32/81/954553281.db2.gz BENLJLYQYORUHQ-FQEVSTJZSA-N -1 3 383.492 3.341 20 0 GGADHM CN(C)C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000666563522 954560384 /nfs/dbraw/zinc/56/03/84/954560384.db2.gz HBJCOWNATKFSQK-KRWDZBQOSA-N -1 3 375.856 3.140 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000666566179 954561779 /nfs/dbraw/zinc/56/17/79/954561779.db2.gz IOFSCQACQSUZJQ-UHFFFAOYSA-N -1 3 381.476 3.111 20 0 GGADHM CN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000666567308 954564267 /nfs/dbraw/zinc/56/42/67/954564267.db2.gz MVMQXKHPSRZGQC-HXUWFJFHSA-N -1 3 381.476 3.191 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000676234073 954585630 /nfs/dbraw/zinc/58/56/30/954585630.db2.gz VLABMEYQAZBWMO-XLIONFOSSA-N -1 3 388.508 3.326 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC001593778206 954614865 /nfs/dbraw/zinc/61/48/65/954614865.db2.gz RHYIXKVEAQVASD-UHFFFAOYSA-N -1 3 395.887 3.332 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc(Cl)c(F)c3)o2)C1 ZINC001594913631 954720394 /nfs/dbraw/zinc/72/03/94/954720394.db2.gz BLBPNLWZTMDNMJ-CXAGYDPISA-N -1 3 396.846 3.196 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@H]3C[C@@H](O)c3ccco3)o2)C1 ZINC001594914377 954728151 /nfs/dbraw/zinc/72/81/51/954728151.db2.gz GEKDCQDCDMMJEM-SOLBZPMBSA-N -1 3 388.464 3.262 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC([C@H]4CCCCO4)CC3)o2)C1 ZINC001594917305 954768724 /nfs/dbraw/zinc/76/87/24/954768724.db2.gz OEUDNHRDMYLCFW-IEBWSBKVSA-N -1 3 376.497 3.362 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCOc3ccc(F)c(F)c3)o2)C1 ZINC001594918034 954778596 /nfs/dbraw/zinc/77/85/96/954778596.db2.gz YAZOACHIVQPDBN-CYBMUJFWSA-N -1 3 380.391 3.027 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCCN(Cc4ccccc4)CC3)o2)C1 ZINC001594918520 954782200 /nfs/dbraw/zinc/78/22/00/954782200.db2.gz UELDCSVFEXJEGV-HXUWFJFHSA-N -1 3 397.519 3.289 20 0 GGADHM CC(C)C[C@@H](CNCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C(=O)[O-] ZINC001603015876 972070050 /nfs/dbraw/zinc/07/00/50/972070050.db2.gz KNGRIWFXAHCZTF-ZDUSSCGKSA-N -1 3 383.489 3.271 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C1(C(=O)[O-])CCSCC1 ZINC000720089224 955174122 /nfs/dbraw/zinc/17/41/22/955174122.db2.gz VADWRCGSQQAIGG-GOSISDBHSA-N -1 3 390.549 3.098 20 0 GGADHM CC[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001589551769 955221235 /nfs/dbraw/zinc/22/12/35/955221235.db2.gz DPKAOVOITBEWJP-CABCVRRESA-N -1 3 380.485 3.038 20 0 GGADHM CC[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001589551773 955221874 /nfs/dbraw/zinc/22/18/74/955221874.db2.gz DPKAOVOITBEWJP-LSDHHAIUSA-N -1 3 380.485 3.038 20 0 GGADHM CC[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)C(=O)OC(C)(C)C ZINC001589552184 955224142 /nfs/dbraw/zinc/22/41/42/955224142.db2.gz LKOGBGOXVMXGQD-CQSZACIVSA-N -1 3 380.485 3.038 20 0 GGADHM COc1cccc([C@@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N2CCCC2)c1 ZINC000738118298 955233814 /nfs/dbraw/zinc/23/38/14/955233814.db2.gz VWVSYJXMSRJOIS-HXUWFJFHSA-N -1 3 397.475 3.281 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000769450640 955318120 /nfs/dbraw/zinc/31/81/20/955318120.db2.gz XMEWMXLSLCKVAK-NTMALXAHSA-N -1 3 376.453 3.042 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589013502 955404341 /nfs/dbraw/zinc/40/43/41/955404341.db2.gz XQCKTNFHCJNJOE-SIXWZSSISA-N -1 3 390.455 3.322 20 0 GGADHM Cn1cc(-c2ccnc(C3CCN(Cc4ccc(C(=O)[O-])s4)CC3)n2)cn1 ZINC001594523218 955471844 /nfs/dbraw/zinc/47/18/44/955471844.db2.gz QMBQZNMYORYVNS-UHFFFAOYSA-N -1 3 383.477 3.016 20 0 GGADHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535929 955573590 /nfs/dbraw/zinc/57/35/90/955573590.db2.gz KPGWSHZAELKDLT-ZIAGYGMSSA-N -1 3 382.291 3.460 20 0 GGADHM COC(=O)c1c(CN2CCC[C@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866582 955582660 /nfs/dbraw/zinc/58/26/60/955582660.db2.gz KMNCYVLVNQQCRA-CYBMUJFWSA-N -1 3 376.428 3.181 20 0 GGADHM CC(C)C[C@H](NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)C(=O)[O-] ZINC001603047957 972111624 /nfs/dbraw/zinc/11/16/24/972111624.db2.gz HDYLGRGBBZGRJK-INIZCTEOSA-N -1 3 397.903 3.434 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589066284 955747407 /nfs/dbraw/zinc/74/74/07/955747407.db2.gz BYPHKOKTLMSSKG-GJZGRUSLSA-N -1 3 376.428 3.277 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589066286 955747838 /nfs/dbraw/zinc/74/78/38/955747838.db2.gz BYPHKOKTLMSSKG-HUUCEWRRSA-N -1 3 376.428 3.277 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1ccc(F)cc1 ZINC001589066713 955752232 /nfs/dbraw/zinc/75/22/32/955752232.db2.gz NQPWZVAQPASVRT-CABCVRRESA-N -1 3 376.428 3.277 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1ccc(F)cc1 ZINC001589066717 955752830 /nfs/dbraw/zinc/75/28/30/955752830.db2.gz NQPWZVAQPASVRT-HUUCEWRRSA-N -1 3 376.428 3.277 20 0 GGADHM C[C@H](COc1ccccc1F)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589076347 955816738 /nfs/dbraw/zinc/81/67/38/955816738.db2.gz LWKQMBYWBANPLF-CABCVRRESA-N -1 3 376.428 3.277 20 0 GGADHM Cn1ncc(C(=O)[O-])c1CNCCOc1c(Cl)cc(Cl)cc1Cl ZINC001594580346 955960350 /nfs/dbraw/zinc/96/03/50/955960350.db2.gz QSMIWYKZXFIIPW-UHFFFAOYSA-N -1 3 378.643 3.247 20 0 GGADHM CC(C)C[C@H](CNCc1cccc(F)c1I)C(=O)[O-] ZINC000871874138 956054369 /nfs/dbraw/zinc/05/43/69/956054369.db2.gz FTFVMPFXMVQUSC-LLVKDONJSA-N -1 3 379.213 3.267 20 0 GGADHM Cc1c(Br)cccc1CN1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873645756 956091743 /nfs/dbraw/zinc/09/17/43/956091743.db2.gz QGEVJOVFCXVSGB-CABCVRRESA-N -1 3 392.297 3.181 20 0 GGADHM CC[C@@H](CNC(=O)NCc1ccccc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000874386710 956130330 /nfs/dbraw/zinc/13/03/30/956130330.db2.gz DZGCYYUPFSUCML-IBGZPJMESA-N -1 3 381.476 3.021 20 0 GGADHM C[C@@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001589122735 956139809 /nfs/dbraw/zinc/13/98/09/956139809.db2.gz GYINJDRCKINANA-BXUZGUMPSA-N -1 3 378.881 3.405 20 0 GGADHM C[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC001589128790 956183678 /nfs/dbraw/zinc/18/36/78/956183678.db2.gz NVBFNGVAXLRHSX-CYBMUJFWSA-N -1 3 381.881 3.157 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)c2)CC1 ZINC000901629331 956392669 /nfs/dbraw/zinc/39/26/69/956392669.db2.gz ZNNUJSXJXZHSLD-CLFYSBASSA-N -1 3 383.448 3.160 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)c2)CC1 ZINC000901629332 956393620 /nfs/dbraw/zinc/39/36/20/956393620.db2.gz ZNNUJSXJXZHSLD-VQHVLOKHSA-N -1 3 383.448 3.160 20 0 GGADHM COCCN(CCC(=O)[O-])Cc1cc(Br)cc(C)c1OC(F)F ZINC000901660510 956410286 /nfs/dbraw/zinc/41/02/86/956410286.db2.gz CIPSKJWMMIUGOA-UHFFFAOYSA-N -1 3 396.228 3.282 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)c(C)c2)CC1 ZINC000901717858 956437323 /nfs/dbraw/zinc/43/73/23/956437323.db2.gz NHISVCMBJWFDIF-ALCCZGGFSA-N -1 3 383.448 3.080 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(CC2(O)CCC(C(=O)[O-])CC2)CC1 ZINC001589174682 956483352 /nfs/dbraw/zinc/48/33/52/956483352.db2.gz NZYZJMXWVBTMBP-FVWXCPNNSA-N -1 3 380.916 3.025 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)C1 ZINC001593966594 956552660 /nfs/dbraw/zinc/55/26/60/956552660.db2.gz IQUBPCJBMPLOHP-LJQANCHMSA-N -1 3 394.903 3.071 20 0 GGADHM COc1ccc([C@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)N2CCCCC2)cc1 ZINC000901955853 956565985 /nfs/dbraw/zinc/56/59/85/956565985.db2.gz MUQFIMUEAQBYAV-RDELFYGPSA-N -1 3 398.459 3.343 20 0 GGADHM CCN(CC)[C@H](CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1cccc(OC)c1 ZINC000901969756 956574556 /nfs/dbraw/zinc/57/45/56/956574556.db2.gz NSIAYGNPURZOOG-QGZVFWFLSA-N -1 3 390.524 3.331 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(OC)c1 ZINC000901970364 956577112 /nfs/dbraw/zinc/57/71/12/956577112.db2.gz ZCLQHQYQVUMNFA-ANGAQGJPSA-N -1 3 386.448 3.199 20 0 GGADHM CCn1cc([C@@H](O)CN(Cc2ccc(C(=O)[O-])s2)Cc2ccccc2)cn1 ZINC000903685463 956865587 /nfs/dbraw/zinc/86/55/87/956865587.db2.gz TYRWISCTZLVBHK-SFHVURJKSA-N -1 3 385.489 3.399 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC(C4CCOCC4)CC3)o2)CC1 ZINC000904194921 956920230 /nfs/dbraw/zinc/92/02/30/956920230.db2.gz HABAKWXYJCXMNA-UHFFFAOYSA-N -1 3 376.497 3.219 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN(CCO)[C@H]3CCc4ccccc43)o2)CC1 ZINC000904194020 956921293 /nfs/dbraw/zinc/92/12/93/956921293.db2.gz QOIHJJRODQPAFQ-FQEVSTJZSA-N -1 3 384.476 3.062 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@@H](Cc4nccs4)C3)o2)CC1 ZINC000904257974 956947383 /nfs/dbraw/zinc/94/73/83/956947383.db2.gz HKCNDSNISWHNBL-HNNXBMFYSA-N -1 3 389.521 3.492 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CC[C@@H](Cc4nccs4)C3)o2)CC1 ZINC000904268593 956952348 /nfs/dbraw/zinc/95/23/48/956952348.db2.gz WEVITJNRMJTDQA-AWEZNQCLSA-N -1 3 375.494 3.102 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC001594732080 957048600 /nfs/dbraw/zinc/04/86/00/957048600.db2.gz CNSWLHZOMCBNEH-QGZVFWFLSA-N -1 3 390.480 3.287 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001589262888 957053589 /nfs/dbraw/zinc/05/35/89/957053589.db2.gz ARTRQLQJWWRWRQ-UZLBHIALSA-N -1 3 381.476 3.488 20 0 GGADHM C[C@H]1[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001589262884 957054083 /nfs/dbraw/zinc/05/40/83/957054083.db2.gz ARTRQLQJWWRWRQ-JXFKEZNVSA-N -1 3 381.476 3.488 20 0 GGADHM O=C([O-])C1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCC1 ZINC000911774997 957091489 /nfs/dbraw/zinc/09/14/89/957091489.db2.gz USZCQRDAQKYBCA-VQTJNVASSA-N -1 3 396.462 3.165 20 0 GGADHM Cc1cc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)cc1I ZINC000923249498 957105532 /nfs/dbraw/zinc/10/55/32/957105532.db2.gz MTXAOPQUHJMNIC-HZMBPMFUSA-N -1 3 387.261 3.451 20 0 GGADHM Cc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C)cc1I ZINC000923249499 957106114 /nfs/dbraw/zinc/10/61/14/957106114.db2.gz MTXAOPQUHJMNIC-IINYFYTJSA-N -1 3 387.261 3.451 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000923469317 957116091 /nfs/dbraw/zinc/11/60/91/957116091.db2.gz DULSHFVOXKEVOD-QAPCUYQASA-N -1 3 384.398 3.388 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000923470587 957118543 /nfs/dbraw/zinc/11/85/43/957118543.db2.gz MOVHFAZMLJMDJM-VLIAUNLRSA-N -1 3 389.521 3.220 20 0 GGADHM CCOC(=O)c1ccc2c(c1)nc(CN1CCC[C@@](CC)(C(=O)[O-])C1)n2CC ZINC000923472977 957124313 /nfs/dbraw/zinc/12/43/13/957124313.db2.gz XXBKMBRTASTEKL-OAQYLSRUSA-N -1 3 387.480 3.310 20 0 GGADHM CCCCOc1cccc(CNC(=O)CN2CCC[C@@](CC)(C(=O)[O-])C2)c1 ZINC000923472648 957124412 /nfs/dbraw/zinc/12/44/12/957124412.db2.gz WPTIKXMWEBXXDK-OAQYLSRUSA-N -1 3 376.497 3.059 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001121898324 957225963 /nfs/dbraw/zinc/22/59/63/957225963.db2.gz WZBFSROZYXBERU-LKUPVBHCSA-N -1 3 393.487 3.043 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001121898326 957226004 /nfs/dbraw/zinc/22/60/04/957226004.db2.gz WZBFSROZYXBERU-PBEJRMEISA-N -1 3 393.487 3.043 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC001121918632 957232783 /nfs/dbraw/zinc/23/27/83/957232783.db2.gz NUCJZFASLPYCRW-FGTMMUONSA-N -1 3 399.516 3.497 20 0 GGADHM Cc1cc(Br)cc(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC001594271715 957681102 /nfs/dbraw/zinc/68/11/02/957681102.db2.gz MNHPOPPTAWGXDU-LSDHHAIUSA-N -1 3 392.297 3.181 20 0 GGADHM Cc1cc(Br)cc(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001594271713 957681213 /nfs/dbraw/zinc/68/12/13/957681213.db2.gz MNHPOPPTAWGXDU-GJZGRUSLSA-N -1 3 392.297 3.181 20 0 GGADHM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1cc(F)ccc1Oc1cncc(Cl)c1)C2 ZINC001574777855 957780412 /nfs/dbraw/zinc/78/04/12/957780412.db2.gz WIDNZVSTRCXYGN-DJJJIMSYSA-N -1 3 392.814 3.199 20 0 GGADHM O=C([O-])c1c2c(sc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F)COCC2 ZINC001574788428 957795421 /nfs/dbraw/zinc/79/54/21/957795421.db2.gz RRKHQUSFNFQOQR-PSASIEDQSA-N -1 3 393.383 3.205 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC001338610861 957849801 /nfs/dbraw/zinc/84/98/01/957849801.db2.gz ZQSRRAORMALZRV-FXAWDEMLSA-N -1 3 393.553 3.298 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC001338610864 957850396 /nfs/dbraw/zinc/85/03/96/957850396.db2.gz ZQSRRAORMALZRV-YLJYHZDGSA-N -1 3 393.553 3.298 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001339721591 957869602 /nfs/dbraw/zinc/86/96/02/957869602.db2.gz ABKAABNAIYODMR-XPGWFJOJSA-N -1 3 381.476 3.119 20 0 GGADHM CCCN(C(=O)NC[C@H](CC)C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001339801290 957877530 /nfs/dbraw/zinc/87/75/30/957877530.db2.gz DOFJEZXXZPRPCP-OALUTQOASA-N -1 3 375.513 3.183 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC001339925549 957902029 /nfs/dbraw/zinc/90/20/29/957902029.db2.gz JJLSFJCYFWWKHI-CGRMTHRGSA-N -1 3 393.487 3.262 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)Cc2ccccc21 ZINC001341224382 957948791 /nfs/dbraw/zinc/94/87/91/957948791.db2.gz FQFZZVNCXMGOBZ-SFTDATJTSA-N -1 3 393.487 3.217 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)c2ccccc21 ZINC001341227137 957949228 /nfs/dbraw/zinc/94/92/28/957949228.db2.gz YSSSDKIRLUYARH-LEWJYISDSA-N -1 3 393.487 3.047 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341241892 957954054 /nfs/dbraw/zinc/95/40/54/957954054.db2.gz ORWDJIBIQMLHPB-DOVSJBTNSA-N -1 3 393.487 3.119 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001341241900 957954751 /nfs/dbraw/zinc/95/47/51/957954751.db2.gz ORWDJIBIQMLHPB-QAJUQPOASA-N -1 3 393.487 3.119 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341241898 957954937 /nfs/dbraw/zinc/95/49/37/957954937.db2.gz ORWDJIBIQMLHPB-IDCXYZFESA-N -1 3 393.487 3.119 20 0 GGADHM Cc1cc(N2CCC[C@H](N3CCC(C(=O)[O-])CC3)C2=O)ccc1Br ZINC001594312020 958042162 /nfs/dbraw/zinc/04/21/62/958042162.db2.gz UMJVYBLANQYRGA-INIZCTEOSA-N -1 3 395.297 3.050 20 0 GGADHM Cc1cc(N2CCC[C@@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)ccc1Br ZINC001594312063 958042483 /nfs/dbraw/zinc/04/24/83/958042483.db2.gz XYTGWIYWXCIWMM-XJKSGUPXSA-N -1 3 395.297 3.050 20 0 GGADHM COc1cc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)cc(Br)c1[O-] ZINC001594058270 958058944 /nfs/dbraw/zinc/05/89/44/958058944.db2.gz JKZQDDFVAOOUFO-SFHVURJKSA-N -1 3 394.265 3.295 20 0 GGADHM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC001594318232 958095432 /nfs/dbraw/zinc/09/54/32/958095432.db2.gz MSSABSCTQUXKRD-UHFFFAOYSA-N -1 3 395.503 3.405 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001352988539 958131638 /nfs/dbraw/zinc/13/16/38/958131638.db2.gz NOISEXWRCOJNGJ-ZHFAOOELSA-N -1 3 393.487 3.434 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001353015836 958136096 /nfs/dbraw/zinc/13/60/96/958136096.db2.gz RBJMWYKCAJVMHI-HBGVWJBISA-N -1 3 393.487 3.043 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001521241108 958234723 /nfs/dbraw/zinc/23/47/23/958234723.db2.gz PHDZOSUPMRDAHV-WOJBJXKFSA-N -1 3 399.466 3.212 20 0 GGADHM COc1ccc(C[C@@H]2CCN2Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594089102 958341136 /nfs/dbraw/zinc/34/11/36/958341136.db2.gz KKUDREARDSNDIJ-ROUUACIJSA-N -1 3 384.476 3.406 20 0 GGADHM COc1ccc(C[C@H]2CCN2Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594089104 958341790 /nfs/dbraw/zinc/34/17/90/958341790.db2.gz KKUDREARDSNDIJ-ZWKOTPCHSA-N -1 3 384.476 3.406 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@H](c1ccccc1)N(C)C ZINC001603227046 972344101 /nfs/dbraw/zinc/34/41/01/972344101.db2.gz DZGZBXXVMILRAO-VRXWPRPYSA-N -1 3 395.503 3.188 20 0 GGADHM Cc1ccc(CN2CC[C@H](NCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360350 958444131 /nfs/dbraw/zinc/44/41/31/958444131.db2.gz VQGDKJSDIGGJLG-PMACEKPBSA-N -1 3 397.519 3.253 20 0 GGADHM COc1ccc(OCCCNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594111054 958505800 /nfs/dbraw/zinc/50/58/00/958505800.db2.gz GAGUCFUVTBTWPZ-MRXNPFEDSA-N -1 3 388.464 3.148 20 0 GGADHM Cc1ccc(OC(F)F)c(CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001594374838 958578519 /nfs/dbraw/zinc/57/85/19/958578519.db2.gz RYSHJVRVTRANFC-UKRRQHHQSA-N -1 3 379.407 3.020 20 0 GGADHM Cc1ccc(OC(F)F)c(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001594374836 958578999 /nfs/dbraw/zinc/57/89/99/958578999.db2.gz RYSHJVRVTRANFC-HIFRSBDPSA-N -1 3 379.407 3.020 20 0 GGADHM COc1ccccc1-c1nnc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)o1 ZINC001594139171 958724718 /nfs/dbraw/zinc/72/47/18/958724718.db2.gz IOIBZYFMIRRFSN-DLBZAZTESA-N -1 3 379.416 3.045 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406871 958734802 /nfs/dbraw/zinc/73/48/02/958734802.db2.gz HVCANTXQVUTGSE-QVKFZJNVSA-N -1 3 376.472 3.269 20 0 GGADHM CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573516756 959102461 /nfs/dbraw/zinc/10/24/61/959102461.db2.gz GVAJKNCZZICXNP-QHAWAJNXSA-N -1 3 386.536 3.289 20 0 GGADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594434716 959217033 /nfs/dbraw/zinc/21/70/33/959217033.db2.gz QHHMTTZIALCAJM-OTWHNJEPSA-N -1 3 396.491 3.078 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573554956 959251961 /nfs/dbraw/zinc/25/19/61/959251961.db2.gz PTHGXYXHKSBJCD-KSEUIEODSA-N -1 3 386.448 3.197 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000183933868 959456894 /nfs/dbraw/zinc/45/68/94/959456894.db2.gz HOVAOZQMNQBKFE-UHFFFAOYSA-N -1 3 394.431 3.088 20 0 GGADHM Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@](C)(O)C(=O)[O-] ZINC001594476872 959607415 /nfs/dbraw/zinc/60/74/15/959607415.db2.gz LGAQSPABEFVOHF-NRFANRHFSA-N -1 3 399.422 3.037 20 0 GGADHM CC(C)(C)OC(=O)NC1(C)CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC001573689375 959755745 /nfs/dbraw/zinc/75/57/45/959755745.db2.gz KRCYWDNSWQMDRP-UHFFFAOYSA-N -1 3 378.469 3.143 20 0 GGADHM O=C([O-])c1ncccc1NC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001605782588 972494779 /nfs/dbraw/zinc/49/47/79/972494779.db2.gz BDYMXYBYBCJKRH-UHFFFAOYSA-N -1 3 390.443 3.281 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001588658810 960427944 /nfs/dbraw/zinc/42/79/44/960427944.db2.gz JMUUEOUJYWAUEJ-INIZCTEOSA-N -1 3 387.249 3.298 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001588666556 960455116 /nfs/dbraw/zinc/45/51/16/960455116.db2.gz DWBLMUUMZVCLAD-HOTGVXAUSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN3CCC(C(=O)[O-])CC3)o2)C1 ZINC001588668003 960474151 /nfs/dbraw/zinc/47/41/51/960474151.db2.gz WCSHQSQRJOBUEY-MRXNPFEDSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001588668122 960476798 /nfs/dbraw/zinc/47/67/98/960476798.db2.gz XEOQNQSBODOPTR-YCRPNKLZSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)N1CCOC2(CCN(Cc3ccc(C(=O)[O-])s3)CC2)C1 ZINC001231462344 960614609 /nfs/dbraw/zinc/61/46/09/960614609.db2.gz HCIDEQVFDREIRT-UHFFFAOYSA-N -1 3 396.509 3.048 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001231789112 960620108 /nfs/dbraw/zinc/62/01/08/960620108.db2.gz JVZYYTJWJQRCIH-NVXWUHKLSA-N -1 3 392.496 3.133 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2OCC(=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001231789109 960620218 /nfs/dbraw/zinc/62/02/18/960620218.db2.gz JVZYYTJWJQRCIH-DOTOQJQBSA-N -1 3 392.496 3.133 20 0 GGADHM Cc1cc(Br)cc(C)c1N1CCC[C@@H](N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC001574307814 960752291 /nfs/dbraw/zinc/75/22/91/960752291.db2.gz LKRSRKZNGOOYPJ-UKRRQHHQSA-N -1 3 397.313 3.214 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c2ccccc2)CC1 ZINC001262564527 960853642 /nfs/dbraw/zinc/85/36/42/960853642.db2.gz LAYNKJHMGBWXJF-PWRODBHTSA-N -1 3 399.535 3.212 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccsc1 ZINC001263061130 960857672 /nfs/dbraw/zinc/85/76/72/960857672.db2.gz HPOPSTFXFOWXRU-RDJZCZTQSA-N -1 3 381.542 3.417 20 0 GGADHM CCn1cc(Cl)cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263629718 960874609 /nfs/dbraw/zinc/87/46/09/960874609.db2.gz MBVNJDXMCPPGIP-FQEVSTJZSA-N -1 3 389.883 3.011 20 0 GGADHM Cc1cc(NC(=O)CCCCC(=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001574337787 960911137 /nfs/dbraw/zinc/91/11/37/960911137.db2.gz IYSSLRPOMJTOAI-SFHVURJKSA-N -1 3 384.480 3.222 20 0 GGADHM CCCN(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001573849595 961130438 /nfs/dbraw/zinc/13/04/38/961130438.db2.gz VYZZDUNVENYYPP-QGZVFWFLSA-N -1 3 375.856 3.246 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)C1(C(=O)[O-])CCCCC1)c1cccc(OC)c1 ZINC001573877557 961253951 /nfs/dbraw/zinc/25/39/51/961253951.db2.gz ACWVCJHWOKRPJU-SFHVURJKSA-N -1 3 376.497 3.229 20 0 GGADHM CCN(CC)[C@H](CNC(=O)C1(C(=O)[O-])CCCCC1)c1cccc(OC)c1 ZINC001573877551 961254417 /nfs/dbraw/zinc/25/44/17/961254417.db2.gz ACWVCJHWOKRPJU-GOSISDBHSA-N -1 3 376.497 3.229 20 0 GGADHM CC(C)[C@@H](CNC(=O)NCCNC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588825694 961673383 /nfs/dbraw/zinc/67/33/83/961673383.db2.gz WQRNNWHGUKQGRW-LJQANCHMSA-N -1 3 383.492 3.022 20 0 GGADHM CN(C)Cc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)c2c1OC(F)(F)O2 ZINC001573991036 961827953 /nfs/dbraw/zinc/82/79/53/961827953.db2.gz WVOWPWSUZYYTLN-CYBMUJFWSA-N -1 3 384.423 3.147 20 0 GGADHM O=C([O-])c1cnc(CCNCc2ccc(OC(F)F)cc2OC(F)F)s1 ZINC001334805596 961837461 /nfs/dbraw/zinc/83/74/61/961837461.db2.gz JWDODPRLCMDYQG-UHFFFAOYSA-N -1 3 394.346 3.376 20 0 GGADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001574015932 961946680 /nfs/dbraw/zinc/94/66/80/961946680.db2.gz NUBLHYURJSBCMH-KRWDZBQOSA-N -1 3 382.464 3.298 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000262893572 961968541 /nfs/dbraw/zinc/96/85/41/961968541.db2.gz CEXDJQBXPGUHQY-HXUWFJFHSA-N -1 3 381.476 3.239 20 0 GGADHM O=C([O-])c1cncc(NC(=O)NCCNC(c2ccccc2)c2ccccc2)c1 ZINC001574570745 962054464 /nfs/dbraw/zinc/05/44/64/962054464.db2.gz GNBCJLJXEZVRPQ-UHFFFAOYSA-N -1 3 390.443 3.281 20 0 GGADHM CSc1ccc([C@H](CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)N(C)C)cc1 ZINC001339864967 962081894 /nfs/dbraw/zinc/08/18/94/962081894.db2.gz WZHVNEAMSHUCKC-QAPCUYQASA-N -1 3 393.553 3.298 20 0 GGADHM COC(=O)[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)CC1CCCC1 ZINC001574047455 962129174 /nfs/dbraw/zinc/12/91/74/962129174.db2.gz RITLSMSKRASESF-QGZVFWFLSA-N -1 3 392.496 3.040 20 0 GGADHM Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c2c1CCC2 ZINC001345094855 962222422 /nfs/dbraw/zinc/22/24/22/962222422.db2.gz AFBRCBDNUQUETM-DEOSSOPVSA-N -1 3 392.499 3.333 20 0 GGADHM Cc1cc2ccc(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cn2c1 ZINC001345095474 962227296 /nfs/dbraw/zinc/22/72/96/962227296.db2.gz JATRYVDJJUQVDW-HSZRJFAPSA-N -1 3 391.471 3.097 20 0 GGADHM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000263108470 962260218 /nfs/dbraw/zinc/26/02/18/962260218.db2.gz JMLKZUIFLQYUBN-NRFANRHFSA-N -1 3 380.488 3.488 20 0 GGADHM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000263108472 962260472 /nfs/dbraw/zinc/26/04/72/962260472.db2.gz JMLKZUIFLQYUBN-OAQYLSRUSA-N -1 3 380.488 3.488 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccnc(C(=O)[O-])c2)N(C)C)cc1 ZINC001588906146 962276580 /nfs/dbraw/zinc/27/65/80/962276580.db2.gz MNHOAGGSSVIECD-IBGZPJMESA-N -1 3 384.480 3.403 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCSCC2)N(C)C)cc1 ZINC001588906248 962278977 /nfs/dbraw/zinc/27/89/77/962278977.db2.gz SWBZZKGPLRIBCR-SFHVURJKSA-N -1 3 392.565 3.202 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCNc3ccc4ccccc4n3)o2)C1 ZINC001574652085 962445602 /nfs/dbraw/zinc/44/56/02/962445602.db2.gz UHTZJWQWWDCSTB-KRWDZBQOSA-N -1 3 394.475 3.331 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCCCC2)N(C)C)cc1 ZINC001588937971 962512373 /nfs/dbraw/zinc/51/23/73/962512373.db2.gz AQGVRTFHLSJRFM-SFHVURJKSA-N -1 3 376.497 3.228 20 0 GGADHM CN1C(=O)C[C@H](NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263380865 962539130 /nfs/dbraw/zinc/53/91/30/962539130.db2.gz BPHQVMVFRRRFQA-FUHWJXTLSA-N -1 3 376.815 3.239 20 0 GGADHM CN(C(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)[C@H]1CCCN(C)C1 ZINC000263436548 962613370 /nfs/dbraw/zinc/61/33/70/962613370.db2.gz UTGVANCLVLQWED-FQEVSTJZSA-N -1 3 381.476 3.163 20 0 GGADHM CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@H]1CCCN(C)C1 ZINC000263442803 962623490 /nfs/dbraw/zinc/62/34/90/962623490.db2.gz WZVNNNCEFUBMAX-FQEVSTJZSA-N -1 3 381.476 3.163 20 0 GGADHM CCOc1c(Br)cc(Br)cc1CN(C)CC(=O)[O-] ZINC000263445547 962628192 /nfs/dbraw/zinc/62/81/92/962628192.db2.gz XSBXJYFOMLPFIA-UHFFFAOYSA-N -1 3 381.064 3.127 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CNC2(C(=O)[O-])CCCCCC2)cc1 ZINC001588968077 962655689 /nfs/dbraw/zinc/65/56/89/962655689.db2.gz BBCGLHHZRACNMZ-UHFFFAOYSA-N -1 3 376.497 3.072 20 0 GGADHM CC(C)c1nc(CCNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cs1 ZINC001588974975 962687282 /nfs/dbraw/zinc/68/72/82/962687282.db2.gz LLHRKUOHSAMBFD-CQSZACIVSA-N -1 3 377.510 3.493 20 0 GGADHM O=C([O-])CN1CCCC[C@@H](NCc2ccc(-c3ccc(F)cc3)s2)C1=O ZINC001574723627 962800236 /nfs/dbraw/zinc/80/02/36/962800236.db2.gz KUVAFAZWBPZGLA-MRXNPFEDSA-N -1 3 376.453 3.110 20 0 GGADHM COc1cc(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001574182176 962817627 /nfs/dbraw/zinc/81/76/27/962817627.db2.gz RAEIDSYJSSPVMT-KBPBESRZSA-N -1 3 397.397 3.138 20 0 GGADHM COc1cc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Br)cn1 ZINC001574185619 962829334 /nfs/dbraw/zinc/82/93/34/962829334.db2.gz VVZUNNZPLLVOTF-LSDHHAIUSA-N -1 3 391.265 3.153 20 0 GGADHM Cc1ccc(C)c(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001526687359 962875096 /nfs/dbraw/zinc/87/50/96/962875096.db2.gz APZQBHJIKNQZGD-QHCPKHFHSA-N -1 3 380.488 3.082 20 0 GGADHM Cc1ccc(C[C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001526703872 962876059 /nfs/dbraw/zinc/87/60/59/962876059.db2.gz COAHZUOPDNGTDQ-DVECYGJZSA-N -1 3 394.515 3.409 20 0 GGADHM Cc1ccnc(-c2noc(CN3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)n2)c1 ZINC001553745942 963051433 /nfs/dbraw/zinc/05/14/33/963051433.db2.gz IPLJMPCRILHCKG-JKSUJKDBSA-N -1 3 398.850 3.394 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000312432039 963561615 /nfs/dbraw/zinc/56/16/15/963561615.db2.gz VWXFFBCLOAMSPC-GFCCVEGCSA-N -1 3 377.391 3.305 20 0 GGADHM C[C@@H](NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000315324297 963881740 /nfs/dbraw/zinc/88/17/40/963881740.db2.gz LXVPUVWBFHOIJZ-ODWCKFRGSA-N -1 3 381.498 3.422 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000263225413 967863556 /nfs/dbraw/zinc/86/35/56/967863556.db2.gz ZXURUGSEUPJYTP-WMZOPIPTSA-N -1 3 376.472 3.141 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000263375639 967881861 /nfs/dbraw/zinc/88/18/61/967881861.db2.gz WOEVERVVSUUIHR-MISYRCLQSA-N -1 3 387.524 3.212 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603647 968099109 /nfs/dbraw/zinc/09/91/09/968099109.db2.gz PIKCEXQCKJYJPO-HKUYNNGSSA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc2)CC1 ZINC000449145161 968378984 /nfs/dbraw/zinc/37/89/84/968378984.db2.gz KPAXTZBOLFOFPL-LJQANCHMSA-N -1 3 389.540 3.226 20 0 GGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000563123776 968414838 /nfs/dbraw/zinc/41/48/38/968414838.db2.gz GKVAZHJCHXEZQB-PXNSSMCTSA-N -1 3 396.487 3.067 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000581949110 968476322 /nfs/dbraw/zinc/47/63/22/968476322.db2.gz OHOAYACTSUHSJE-DIFFPNOSSA-N -1 3 399.369 3.240 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000647367626 968573124 /nfs/dbraw/zinc/57/31/24/968573124.db2.gz YAIFAIHWHGKNRU-CEQIKUNHSA-N -1 3 398.528 3.407 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccco1 ZINC000652095661 968621897 /nfs/dbraw/zinc/62/18/97/968621897.db2.gz NMOPHHDBYHBZHD-HZUJVAHNSA-N -1 3 387.480 3.051 20 0 GGADHM O=C([O-])[C@H]1CN(C[C@H](O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000652470606 968634908 /nfs/dbraw/zinc/63/49/08/968634908.db2.gz BXMIOAYQFLCLTO-YJBOKZPZSA-N -1 3 395.377 3.129 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655863856 968697313 /nfs/dbraw/zinc/69/73/13/968697313.db2.gz QSGVUBSGBPGKEH-WZGPROSRSA-N -1 3 387.524 3.086 20 0 GGADHM C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655874296 968701986 /nfs/dbraw/zinc/70/19/86/968701986.db2.gz XMAWFSGUOLXPCT-ZDMKNRLGSA-N -1 3 387.524 3.084 20 0 GGADHM C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@@H](c1ccccc1)N(C)C ZINC000655877188 968702335 /nfs/dbraw/zinc/70/23/35/968702335.db2.gz XVVXUOOZOCDKFE-XWJBARJFSA-N -1 3 375.513 3.112 20 0 GGADHM C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907758 968714505 /nfs/dbraw/zinc/71/45/05/968714505.db2.gz SFADKFPDZAOEDG-HYVNUMGLSA-N -1 3 393.503 3.034 20 0 GGADHM CC(C)C[C@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)CC(=O)[O-] ZINC000659393994 968730650 /nfs/dbraw/zinc/73/06/50/968730650.db2.gz IIPYYLMELAQEJU-KRWDZBQOSA-N -1 3 389.540 3.260 20 0 GGADHM COc1ccc2ccccc2c1CN(C1CCCC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203416 968753236 /nfs/dbraw/zinc/75/32/36/968753236.db2.gz DPMMCYMEDNTCTI-FQEVSTJZSA-N -1 3 396.487 3.279 20 0 GGADHM O=C([O-])[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000662223453 968756780 /nfs/dbraw/zinc/75/67/80/968756780.db2.gz NIUXPUVEBIZFFG-NHCUHLMSSA-N -1 3 378.472 3.254 20 0 GGADHM COc1cc(CN2CCC(CCC(=O)[O-])CC2)cc(OC)c1OCC(F)F ZINC000665343659 968837325 /nfs/dbraw/zinc/83/73/25/968837325.db2.gz PTPDXJYSRRGRGZ-UHFFFAOYSA-N -1 3 387.423 3.425 20 0 GGADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)C1(C(=O)[O-])CCSCC1 ZINC000720089227 969109208 /nfs/dbraw/zinc/10/92/08/969109208.db2.gz VADWRCGSQQAIGG-SFHVURJKSA-N -1 3 390.549 3.098 20 0 GGADHM CC(C)(C)c1cccc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852733433 969290351 /nfs/dbraw/zinc/29/03/51/969290351.db2.gz QDNLMRRJACFYGF-HUUCEWRRSA-N -1 3 386.414 3.080 20 0 GGADHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3ccc(Sc4ccccn4)o3)C2)cn1 ZINC000874048176 969364594 /nfs/dbraw/zinc/36/45/94/969364594.db2.gz LUADFHJCUYBMQO-GJZGRUSLSA-N -1 3 398.488 3.250 20 0 GGADHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3ccc(Oc4ccccc4)o3)C2)cn1 ZINC000874051618 969368136 /nfs/dbraw/zinc/36/81/36/969368136.db2.gz RAZUEKKEANZOHY-HZPDHXFCSA-N -1 3 381.432 3.496 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccccc2C(=O)[O-])C1 ZINC000874413540 969392166 /nfs/dbraw/zinc/39/21/66/969392166.db2.gz MDYNJALNUZQGFD-KRWDZBQOSA-N -1 3 381.476 3.048 20 0 GGADHM COC(=O)C1CC2(C1)CN(Cc1ccc(OC(C)C)c(Cl)c1)C[C@@H]2C(=O)[O-] ZINC000903415913 969579531 /nfs/dbraw/zinc/57/95/31/969579531.db2.gz MGXZEDQSUWSWCO-RDYUPDBUSA-N -1 3 395.883 3.213 20 0 GGADHM Cc1cccc2oc(CCNCc3ccc(N4CCC(C(=O)[O-])CC4)o3)nc21 ZINC000904235870 969603128 /nfs/dbraw/zinc/60/31/28/969603128.db2.gz FLWGJYOGPLSKIR-UHFFFAOYSA-N -1 3 383.448 3.363 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000923467067 969650261 /nfs/dbraw/zinc/65/02/61/969650261.db2.gz LCCIXLYNCMGACG-PXAZEXFGSA-N -1 3 383.286 3.353 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000923469021 969652065 /nfs/dbraw/zinc/65/20/65/969652065.db2.gz CUNOVXYFNPJBBN-NRFANRHFSA-N -1 3 390.499 3.331 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001122291857 969685947 /nfs/dbraw/zinc/68/59/47/969685947.db2.gz PBUNMQYYIWQFKV-DYESRHJHSA-N -1 3 376.472 3.141 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)N(C)C)cc1 ZINC001263069868 969695392 /nfs/dbraw/zinc/69/53/92/969695392.db2.gz CZLVGWUABJTIIF-AQNXPRMDSA-N -1 3 381.476 3.210 20 0 GGADHM Cc1cc(Br)c(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)s1 ZINC001332337832 969721813 /nfs/dbraw/zinc/72/18/13/969721813.db2.gz VLAWTNXJNFEZJL-RYUDHWBXSA-N -1 3 398.326 3.243 20 0 GGADHM Cc1cc(Br)c(CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)s1 ZINC001332337833 969722132 /nfs/dbraw/zinc/72/21/32/969722132.db2.gz VLAWTNXJNFEZJL-VXGBXAGGSA-N -1 3 398.326 3.243 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC001341241504 969747816 /nfs/dbraw/zinc/74/78/16/969747816.db2.gz KYWVFYBQCVBWGQ-YDPGBSGYSA-N -1 3 393.487 3.262 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC001341241506 969747844 /nfs/dbraw/zinc/74/78/44/969747844.db2.gz KYWVFYBQCVBWGQ-ZHFAOOELSA-N -1 3 393.487 3.262 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341448707 969753413 /nfs/dbraw/zinc/75/34/13/969753413.db2.gz DPYCVEMTIHPBDX-WOJBJXKFSA-N -1 3 381.476 3.073 20 0 GGADHM CC[C@H](CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])N1CCc2ccccc2C1 ZINC001356607210 969782402 /nfs/dbraw/zinc/78/24/02/969782402.db2.gz DOTUWMIHCJAZHQ-WOJBJXKFSA-N -1 3 387.524 3.252 20 0 GGADHM CC[C@@H](CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])N1CCc2ccccc2C1 ZINC001356607208 969782556 /nfs/dbraw/zinc/78/25/56/969782556.db2.gz DOTUWMIHCJAZHQ-VQTJNVASSA-N -1 3 387.524 3.252 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC001604964848 972553267 /nfs/dbraw/zinc/55/32/67/972553267.db2.gz JRHBOIIYEDDDRO-GOSISDBHSA-N -1 3 387.505 3.460 20 0 GGADHM CN1CCN(c2ccc(NCc3ccc(C(=O)[O-])s3)c3cnccc32)CC1 ZINC001604227628 972725648 /nfs/dbraw/zinc/72/56/48/972725648.db2.gz HMAVTSNWANHMRN-UHFFFAOYSA-N -1 3 382.489 3.358 20 0 GGADHM CN1CCN(c2ccc(NCc3ccc(C(=O)[O-])cc3)c3cnccc32)CC1 ZINC001604228453 972729996 /nfs/dbraw/zinc/72/99/96/972729996.db2.gz YHVBXVFNDXLZBO-UHFFFAOYSA-N -1 3 376.460 3.297 20 0 GGADHM Cc1cc(Br)cn2c(CN[C@H](C(=O)[O-])c3ccc(F)cc3)cnc12 ZINC001605102247 972758961 /nfs/dbraw/zinc/75/89/61/972758961.db2.gz RIPGKKSNOCYPCM-HNNXBMFYSA-N -1 3 392.228 3.460 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CC[C@H](COc4ccccc4)C3)o2)C1 ZINC001605999494 973087670 /nfs/dbraw/zinc/08/76/70/973087670.db2.gz UCTXXRXWFBXFOV-ZWKOTPCHSA-N -1 3 384.476 3.482 20 0 GGADHM Cc1cccc([C@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])c1 ZINC001605329228 973195958 /nfs/dbraw/zinc/19/59/58/973195958.db2.gz GSBWLKOOQPCFNK-FQEVSTJZSA-N -1 3 378.428 3.434 20 0 GGADHM Cc1csc([C@@H]2CCN(Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380037 973335596 /nfs/dbraw/zinc/33/55/96/973335596.db2.gz ARCGJGLWXCCBAG-HUUCEWRRSA-N -1 3 375.494 3.335 20 0 GGADHM Cc1nc2ccccc2n1CCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001605419845 973435036 /nfs/dbraw/zinc/43/50/36/973435036.db2.gz DSQXXIJSAOMYHP-INIZCTEOSA-N -1 3 382.464 3.029 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605428943 973466318 /nfs/dbraw/zinc/46/63/18/973466318.db2.gz SIPVQOOZRDKTCY-RPLTXICNSA-N -1 3 389.883 3.336 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404197201 973708647 /nfs/dbraw/zinc/70/86/47/973708647.db2.gz GEIRGONQNXRAOQ-OALUTQOASA-N -1 3 386.517 3.230 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404197204 973708898 /nfs/dbraw/zinc/70/88/98/973708898.db2.gz GEIRGONQNXRAOQ-RBUKOAKNSA-N -1 3 386.517 3.230 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001604772128 973990584 /nfs/dbraw/zinc/99/05/84/973990584.db2.gz FLOHQDCKCBJEAI-AQNXPRMDSA-N -1 3 382.460 3.164 20 0 GGADHM CC1CCN([C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])c2cccs2)CC1 ZINC000424385450 974023219 /nfs/dbraw/zinc/02/32/19/974023219.db2.gz GFAVVXWZAKPUEH-HNNXBMFYSA-N -1 3 381.542 3.321 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3cccc(C(=O)[O-])c3)c(C)c2)CC1 ZINC001603768433 974218538 /nfs/dbraw/zinc/21/85/38/974218538.db2.gz RDLCBPVXYMGCFU-UHFFFAOYSA-N -1 3 382.464 3.479 20 0 GGADHM O=C([O-])CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCOCC1 ZINC000515059105 974295748 /nfs/dbraw/zinc/29/57/48/974295748.db2.gz HEWJXJCRRLLDOW-UHFFFAOYSA-N -1 3 399.369 3.211 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C12CCC2 ZINC001603825690 974321241 /nfs/dbraw/zinc/32/12/41/974321241.db2.gz JPTOQQBMIQBHMT-RYQLBKOJSA-N -1 3 376.497 3.360 20 0 GGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000518991698 974326152 /nfs/dbraw/zinc/32/61/52/974326152.db2.gz XEKNUSGPBSMEKD-GOSISDBHSA-N -1 3 380.366 3.500 20 0 GGADHM Cn1c(CN(CCC(=O)[O-])C2CCOCC2)nc2cc(C(F)(F)F)ccc21 ZINC000565481042 974582858 /nfs/dbraw/zinc/58/28/58/974582858.db2.gz MCNWWANFLLDIJI-UHFFFAOYSA-N -1 3 385.386 3.048 20 0 GGADHM CC(C)Oc1ccc2nccc(N3CCC[C@H](n4cc(C(=O)[O-])nn4)C3)c2c1 ZINC000567983478 974652162 /nfs/dbraw/zinc/65/21/62/974652162.db2.gz JESLMKHCLUDVBN-AWEZNQCLSA-N -1 3 381.436 3.153 20 0 GGADHM C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000568072699 974660579 /nfs/dbraw/zinc/66/05/79/974660579.db2.gz LLHMRRJNPOOZRK-AOMKIAJQSA-N -1 3 377.444 3.450 20 0 GGADHM Cn1cc(-c2cc(CN3CCC(Cc4ccccc4C(=O)[O-])CC3)on2)cn1 ZINC000574652608 974786896 /nfs/dbraw/zinc/78/68/96/974786896.db2.gz SJNWAZQLESVRSN-UHFFFAOYSA-N -1 3 380.448 3.228 20 0 GGADHM O=C([O-])c1cn([C@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3)C2)nn1 ZINC000574995826 974793038 /nfs/dbraw/zinc/79/30/38/974793038.db2.gz KQVBSOGUQYEETI-IBGZPJMESA-N -1 3 392.459 3.392 20 0 GGADHM CC[C@@H](c1ccccc1)N(CCCS(=O)(=O)c1ccccc1)CC(=O)[O-] ZINC000576173870 974810555 /nfs/dbraw/zinc/81/05/55/974810555.db2.gz FIJJBFFQUQZYRE-IBGZPJMESA-N -1 3 375.490 3.388 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)nc1 ZINC000576642568 974819375 /nfs/dbraw/zinc/81/93/75/974819375.db2.gz FZFVPRNCRLOITO-OAHLLOKOSA-N -1 3 382.395 3.349 20 0 GGADHM O=C([O-])c1ccc(OC[C@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000580202337 974890563 /nfs/dbraw/zinc/89/05/63/974890563.db2.gz XGTVQPYCUPARQZ-GOSISDBHSA-N -1 3 375.852 3.443 20 0 GGADHM O=C([O-])C1CCN(C(=O)CN2CCC(c3cccc4ccccc43)CC2)CC1 ZINC000582851299 974932372 /nfs/dbraw/zinc/93/23/72/974932372.db2.gz MWIHLLFFDRMHMR-UHFFFAOYSA-N -1 3 380.488 3.342 20 0 GGADHM CC1(C)CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000584785894 974959093 /nfs/dbraw/zinc/95/90/93/974959093.db2.gz SQDJWNXJWYLATQ-DZGCQCFKSA-N -1 3 375.387 3.035 20 0 GGADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)n(C)c1C ZINC000596020242 974997185 /nfs/dbraw/zinc/99/71/85/974997185.db2.gz GPCSKSUWQROMFN-HNNXBMFYSA-N -1 3 384.354 3.054 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)n(C)c1C ZINC000596020243 974997668 /nfs/dbraw/zinc/99/76/68/974997668.db2.gz GPCSKSUWQROMFN-OAHLLOKOSA-N -1 3 384.354 3.054 20 0 GGADHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1cnc(C(=O)[O-])cn1 ZINC000629360416 975082481 /nfs/dbraw/zinc/08/24/81/975082481.db2.gz BHALBZUNKIRTHA-UHFFFAOYSA-N -1 3 379.464 3.410 20 0 GGADHM O=C([O-])c1cnc(C2CCN(CCOCCOc3ccccc3)CC2)s1 ZINC000629367202 975085049 /nfs/dbraw/zinc/08/50/49/975085049.db2.gz GSAGTIXTCQEADU-UHFFFAOYSA-N -1 3 376.478 3.116 20 0 GGADHM O=C([O-])c1cnc(C2CCN(CCCOc3ccc4c(c3)OCO4)CC2)s1 ZINC000629367845 975085632 /nfs/dbraw/zinc/08/56/32/975085632.db2.gz QITZNYKKVJDDJF-UHFFFAOYSA-N -1 3 390.461 3.219 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)CCCCc2nc3ccccc3s2)CC1 ZINC000630223541 975170320 /nfs/dbraw/zinc/17/03/20/975170320.db2.gz VAPZEICTKNNKDS-UHFFFAOYSA-N -1 3 389.521 3.017 20 0 GGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cccc3c1CCOC3)CC2 ZINC000634692020 975272216 /nfs/dbraw/zinc/27/22/16/975272216.db2.gz SGGPWBPAYASFNN-HXUWFJFHSA-N -1 3 397.471 3.351 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000647732303 975375685 /nfs/dbraw/zinc/37/56/85/975375685.db2.gz ALLLWKSBTJVIPO-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000650505915 975447088 /nfs/dbraw/zinc/44/70/88/975447088.db2.gz VGHDAJAEBULEAX-SFHVURJKSA-N -1 3 376.472 3.083 20 0 GGADHM O=C([O-])C[C@H]1CCCCN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000650505563 975447679 /nfs/dbraw/zinc/44/76/79/975447679.db2.gz HVLKKMIEIJMPHX-HXUWFJFHSA-N -1 3 396.487 3.211 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)CCN(CC(=O)[O-])C2CCCCC2)cc1 ZINC000652481546 975549119 /nfs/dbraw/zinc/54/91/19/975549119.db2.gz SCIATKQOIVGFMA-UHFFFAOYSA-N -1 3 381.538 3.477 20 0 GGADHM COc1ccc(-c2noc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)n2)c(OC)c1 ZINC000652500295 975564320 /nfs/dbraw/zinc/56/43/20/975564320.db2.gz KKYSKULZIDIGAX-ZDUSSCGKSA-N -1 3 389.452 3.077 20 0 GGADHM O=C([O-])C1CCN(C(=O)CN2CCc3ccccc3[C@H]2Cc2ccccc2)CC1 ZINC000653389351 975592714 /nfs/dbraw/zinc/59/27/14/975592714.db2.gz DZKVHXIJBRBPEO-JOCHJYFZSA-N -1 3 392.499 3.152 20 0 GGADHM C[C@H](CN(Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nn1)C(=O)[O-] ZINC000656190819 975643804 /nfs/dbraw/zinc/64/38/04/975643804.db2.gz SFTLESMLLZMTII-CYBMUJFWSA-N -1 3 383.370 3.141 20 0 GGADHM CC(C)OCCCNC(=O)C1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC001591722822 975667878 /nfs/dbraw/zinc/66/78/78/975667878.db2.gz RRFCMVRGNKISIX-UHFFFAOYSA-N -1 3 396.915 3.182 20 0 GGADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656764373 975694951 /nfs/dbraw/zinc/69/49/51/975694951.db2.gz XMAMUGZXMGXQIU-MJGOQNOKSA-N -1 3 388.489 3.027 20 0 GGADHM Cc1cccc(S(=O)(=O)CCCN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000656767523 975701346 /nfs/dbraw/zinc/70/13/46/975701346.db2.gz SDPQGXNRGPQBLR-CEXWTWQISA-N -1 3 379.522 3.124 20 0 GGADHM CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000659753459 975862081 /nfs/dbraw/zinc/86/20/81/975862081.db2.gz LQHSVNSJXXGNSM-PXNSSMCTSA-N -1 3 396.487 3.448 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC001591772939 975909965 /nfs/dbraw/zinc/90/99/65/975909965.db2.gz PNJDNWBDJIPWGD-HXUWFJFHSA-N -1 3 384.476 3.134 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)N(C)C)cc1 ZINC001591773372 975913555 /nfs/dbraw/zinc/91/35/55/975913555.db2.gz ZGDQUBDBQMYIBF-XTWGIRIWSA-N -1 3 388.508 3.228 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC001591776589 975921524 /nfs/dbraw/zinc/92/15/24/975921524.db2.gz CHTLGIMGHBQTNW-LJQANCHMSA-N -1 3 388.439 3.344 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(F)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC001591776678 975924776 /nfs/dbraw/zinc/92/47/76/975924776.db2.gz GXGBGQDAYARDIM-LJQANCHMSA-N -1 3 388.439 3.344 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)N(C)C)cc1 ZINC001591776799 975926039 /nfs/dbraw/zinc/92/60/39/975926039.db2.gz MJEIVYZQMLSLFI-KSEUIEODSA-N -1 3 386.448 3.197 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591776829 975927975 /nfs/dbraw/zinc/92/79/75/975927975.db2.gz NMNYGMRVXAGIHO-HNNXBMFYSA-N -1 3 376.478 3.266 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000666548656 975970605 /nfs/dbraw/zinc/97/06/05/975970605.db2.gz FARVVRGLTMJLAS-GOSISDBHSA-N -1 3 387.505 3.209 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)[O-] ZINC001591870855 976204935 /nfs/dbraw/zinc/20/49/35/976204935.db2.gz RXSLLVADZUQJNV-ICSRJNTNSA-N -1 3 388.895 3.439 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c([O-])c1 ZINC001591943621 976482471 /nfs/dbraw/zinc/48/24/71/976482471.db2.gz YZHAEIJRVLOCEV-HSZRJFAPSA-N -1 3 396.487 3.365 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c([O-])c1 ZINC001591943621 976482476 /nfs/dbraw/zinc/48/24/76/976482476.db2.gz YZHAEIJRVLOCEV-HSZRJFAPSA-N -1 3 396.487 3.365 20 0 GGADHM CC(C)c1ccc(C2(C(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)CCCCC2)cc1 ZINC001591948354 976498992 /nfs/dbraw/zinc/49/89/92/976498992.db2.gz FYJKHJYBKOAMNY-IBGZPJMESA-N -1 3 386.536 3.487 20 0 GGADHM CC(C)c1ccc([C@H](NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949527 976507044 /nfs/dbraw/zinc/50/70/44/976507044.db2.gz WEQUHTVSLMMRMJ-RBUKOAKNSA-N -1 3 375.513 3.165 20 0 GGADHM CC(C)c1ccc([C@H](NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949529 976507510 /nfs/dbraw/zinc/50/75/10/976507510.db2.gz WEQUHTVSLMMRMJ-RTBURBONSA-N -1 3 375.513 3.165 20 0 GGADHM CC(C)c1cccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c1 ZINC001591986798 976609367 /nfs/dbraw/zinc/60/93/67/976609367.db2.gz ILHSRNXDJLIMJN-UHFFFAOYSA-N -1 3 375.490 3.099 20 0 GGADHM CC(C)c1oc([C@H]2CCCN2C(=O)[C@H](N)CCC(=O)[O-])nc1-c1ccccc1 ZINC001592102119 976866197 /nfs/dbraw/zinc/86/61/97/976866197.db2.gz BKCUBJGZSMBXRI-HZPDHXFCSA-N -1 3 385.464 3.321 20 0 GGADHM C[C@@](CC(=O)[O-])(NCCC(=O)Nc1ccc(Cl)cc1F)c1ccccn1 ZINC001592319460 977710397 /nfs/dbraw/zinc/71/03/97/977710397.db2.gz UYLMHDIBIFSGAT-SFHVURJKSA-N -1 3 379.819 3.182 20 0 GGADHM C[C@@H](NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC000721079054 978093791 /nfs/dbraw/zinc/09/37/91/978093791.db2.gz YAYWJFQLDJQPTC-JHJVBQTASA-N -1 3 383.514 3.385 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2)CC1 ZINC000736475360 978337204 /nfs/dbraw/zinc/33/72/04/978337204.db2.gz TZORJCMSZWTQMV-FQEVSTJZSA-N -1 3 393.487 3.046 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000737084991 978378547 /nfs/dbraw/zinc/37/85/47/978378547.db2.gz HBYYBHYYEHDWBU-YQVWRLOYSA-N -1 3 376.497 3.085 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000737084995 978378597 /nfs/dbraw/zinc/37/85/97/978378597.db2.gz HBYYBHYYEHDWBU-ZIFCJYIRSA-N -1 3 376.497 3.085 20 0 GGADHM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000739796013 978654472 /nfs/dbraw/zinc/65/44/72/978654472.db2.gz YUWPXVZWLAWSEM-UHFFFAOYSA-N -1 3 388.414 3.288 20 0 GGADHM COc1ccc([C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)N2CCCC2)cc1 ZINC000743414060 978678725 /nfs/dbraw/zinc/67/87/25/978678725.db2.gz QSZHLEAYBDTKHF-LJQANCHMSA-N -1 3 388.508 3.374 20 0 GGADHM C[C@@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@@H]2CCCC[C@@H]12 ZINC000828289871 978978253 /nfs/dbraw/zinc/97/82/53/978978253.db2.gz ONWNEKCBOQIJOV-FHLIZLRMSA-N -1 3 385.464 3.012 20 0 GGADHM C[C@@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@@H]2CCCC[C@H]12 ZINC000828289874 978978536 /nfs/dbraw/zinc/97/85/36/978978536.db2.gz ONWNEKCBOQIJOV-ZTFGCOKTSA-N -1 3 385.464 3.012 20 0 GGADHM CN(C)[C@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830582191 979020049 /nfs/dbraw/zinc/02/00/49/979020049.db2.gz ZLNRQYZELNBBRU-MOPGFXCFSA-N -1 3 383.492 3.441 20 0 GGADHM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)N(C)Cc1ccccc1 ZINC001592674305 979084738 /nfs/dbraw/zinc/08/47/38/979084738.db2.gz GQVKBXPRDBDSTL-LBPRGKRZSA-N -1 3 376.844 3.075 20 0 GGADHM C[C@H](CN[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC001592706795 979179433 /nfs/dbraw/zinc/17/94/33/979179433.db2.gz NDEXMXOXFHAYJK-ZWNOBZJWSA-N -1 3 392.374 3.214 20 0 GGADHM C[C@@](CNCc1cn(-c2ccc(F)cc2Cl)nn1)(C(=O)[O-])c1ccccc1 ZINC001592712238 979203569 /nfs/dbraw/zinc/20/35/69/979203569.db2.gz JICBMTIFPKCHHW-IBGZPJMESA-N -1 3 388.830 3.192 20 0 GGADHM CCC(CC)(CC(=O)[O-])NCc1csc(CC(=O)Nc2ccccc2)n1 ZINC001595057168 979297552 /nfs/dbraw/zinc/29/75/52/979297552.db2.gz ZKHSRZPHNOCJHY-UHFFFAOYSA-N -1 3 375.494 3.447 20 0 GGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000846243206 979420243 /nfs/dbraw/zinc/42/02/43/979420243.db2.gz DEUAZAUKWFDCGU-SJORKVTESA-N -1 3 398.297 3.235 20 0 GGADHM CCC(CC)[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cccs1 ZINC001595106566 979434067 /nfs/dbraw/zinc/43/40/67/979434067.db2.gz RCWKGPKCGFKTIK-MRXNPFEDSA-N -1 3 381.542 3.416 20 0 GGADHM O=C([O-])[C@H]1c2ccccc2CCN1C[C@H](O)c1ccccc1Br ZINC000846275692 979442617 /nfs/dbraw/zinc/44/26/17/979442617.db2.gz UAFRBHWUTFYJLG-DLBZAZTESA-N -1 3 376.250 3.167 20 0 GGADHM COc1ccc(OCc2nc(CN3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])cs2)cc1 ZINC000846278742 979445584 /nfs/dbraw/zinc/44/55/84/979445584.db2.gz SYMQQWIYRYWZDR-IRWQIABSSA-N -1 3 388.489 3.416 20 0 GGADHM CN(C)c1cc(CN(CCC(=O)[O-])Cc2cccc(Br)c2)ccn1 ZINC000846283282 979454803 /nfs/dbraw/zinc/45/48/03/979454803.db2.gz DCSDBZMDJWXRGV-UHFFFAOYSA-N -1 3 392.297 3.387 20 0 GGADHM CCOc1ccc(-c2nc(CN3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)cs2)cc1 ZINC000846283708 979456152 /nfs/dbraw/zinc/45/61/52/979456152.db2.gz XMPGZCAMHAIWDH-MGPUTAFESA-N -1 3 388.489 3.132 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001592837664 979582089 /nfs/dbraw/zinc/58/20/89/979582089.db2.gz BPOKVZCIVYZEGV-RBUKOAKNSA-N -1 3 384.879 3.055 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001592837663 979582158 /nfs/dbraw/zinc/58/21/58/979582158.db2.gz BPOKVZCIVYZEGV-OALUTQOASA-N -1 3 384.879 3.055 20 0 GGADHM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc(NC2=NCCC2)cc1)C(=O)[O-] ZINC001592848720 979632045 /nfs/dbraw/zinc/63/20/45/979632045.db2.gz UNLCCQJZQWITIS-OAQYLSRUSA-N -1 3 383.423 3.246 20 0 GGADHM C[C@@](Cc1ccc(F)cc1)(NCc1cn(-c2ccc(Cl)cc2)nn1)C(=O)[O-] ZINC001592853043 979641023 /nfs/dbraw/zinc/64/10/23/979641023.db2.gz BLGSGDRNHIVLES-IBGZPJMESA-N -1 3 388.830 3.235 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC)N1CCc2ccccc2C1 ZINC001595152846 979649230 /nfs/dbraw/zinc/64/92/30/979649230.db2.gz PQYLBNKCJMGDSQ-SFHVURJKSA-N -1 3 397.475 3.352 20 0 GGADHM CO[C@]1(C(=O)[O-])CCN(Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000859819585 979652969 /nfs/dbraw/zinc/65/29/69/979652969.db2.gz KXKPKIJHMJFJKB-HXUWFJFHSA-N -1 3 391.899 3.499 20 0 GGADHM C[C@@H](Cc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1)C(=O)[O-] ZINC001592868179 979718685 /nfs/dbraw/zinc/71/86/85/979718685.db2.gz VVDSSMQHHVBANT-OXJNMPFZSA-N -1 3 383.492 3.244 20 0 GGADHM CC[C@@H](CNCc1oc(Br)cc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001595167813 979724655 /nfs/dbraw/zinc/72/46/55/979724655.db2.gz CNNAROCZDHZBNA-VIFPVBQESA-N -1 3 376.247 3.198 20 0 GGADHM CC[C@@H](CO)NCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001595177073 979774253 /nfs/dbraw/zinc/77/42/53/979774253.db2.gz MIWJTLAVCHMGGE-JTQLQIEISA-N -1 3 382.869 3.066 20 0 GGADHM C[C@H](Cc1cccnc1)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592898539 979807346 /nfs/dbraw/zinc/80/73/46/979807346.db2.gz PFTHAVOXMYWXRK-SNVBAGLBSA-N -1 3 382.247 3.246 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@H]1c1ccccc1 ZINC001595186863 979837210 /nfs/dbraw/zinc/83/72/10/979837210.db2.gz HBRLVKLKVYEBFA-RBUKOAKNSA-N -1 3 377.444 3.231 20 0 GGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1cccc(F)c1I ZINC000871878445 979980036 /nfs/dbraw/zinc/98/00/36/979980036.db2.gz LKLLQQJEXXIGJT-LLVKDONJSA-N -1 3 379.213 3.409 20 0 GGADHM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000874426724 980197809 /nfs/dbraw/zinc/19/78/09/980197809.db2.gz WOPIAJKSUQIRKY-WGSAOQKQSA-N -1 3 385.508 3.080 20 0 GGADHM O=C([O-])C1=CC[C@H](NCc2cc(Br)ccc2Br)C1 ZINC000900040928 980239026 /nfs/dbraw/zinc/23/90/26/980239026.db2.gz JVLQJDHBABKAAX-NSHDSACASA-N -1 3 375.060 3.475 20 0 GGADHM O=C([O-])c1cc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cs1 ZINC000901415880 980262044 /nfs/dbraw/zinc/26/20/44/980262044.db2.gz BJELDYJMTXYRII-UHFFFAOYSA-N -1 3 388.445 3.026 20 0 GGADHM O=C([O-])c1csc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000901417896 980265664 /nfs/dbraw/zinc/26/56/64/980265664.db2.gz WSXYQPMCQMCPIT-UHFFFAOYSA-N -1 3 388.445 3.026 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000901428914 980275833 /nfs/dbraw/zinc/27/58/33/980275833.db2.gz DLJFOAUSJUQVHH-NRFANRHFSA-N -1 3 389.471 3.059 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000901439626 980288312 /nfs/dbraw/zinc/28/83/12/980288312.db2.gz UVYNWEOOFXXQAA-UHFFFAOYSA-N -1 3 399.417 3.027 20 0 GGADHM O=C([O-])COc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000901442630 980290985 /nfs/dbraw/zinc/29/09/85/980290985.db2.gz QPZGMFBHVWMCND-CQSZACIVSA-N -1 3 383.370 3.202 20 0 GGADHM COc1ccc(OCc2ccccn2)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000901499651 980317434 /nfs/dbraw/zinc/31/74/34/980317434.db2.gz OBXSRGBZVWPUNX-LJQANCHMSA-N -1 3 382.460 3.356 20 0 GGADHM O=C([O-])c1cn([C@@H]2CCCN(Cc3cccc(OCc4ccccc4)c3)C2)nn1 ZINC000901523296 980343696 /nfs/dbraw/zinc/34/36/96/980343696.db2.gz FEVMGDICURVSOP-LJQANCHMSA-N -1 3 392.459 3.392 20 0 GGADHM Cc1cc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc(C)c1OC(F)F ZINC000901524058 980345287 /nfs/dbraw/zinc/34/52/87/980345287.db2.gz MWZIRTUWNHARLZ-UHFFFAOYSA-N -1 3 380.395 3.032 20 0 GGADHM C/C(=C\c1ccccc1OC(F)F)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524793 980347643 /nfs/dbraw/zinc/34/76/43/980347643.db2.gz GVOMVVXTVRCWGQ-GLNPCMGASA-N -1 3 392.406 3.318 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc2c(c1)CCO2 ZINC000901527252 980354025 /nfs/dbraw/zinc/35/40/25/980354025.db2.gz CKLWFPUTXYIMOI-TZIWHRDSSA-N -1 3 383.444 3.095 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)ccc1OC(F)F ZINC000901527942 980355103 /nfs/dbraw/zinc/35/51/03/980355103.db2.gz FGNXMYNRUYLZBL-KRWDZBQOSA-N -1 3 379.359 3.147 20 0 GGADHM Cc1c(Br)cncc1CN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000901532092 980360213 /nfs/dbraw/zinc/36/02/13/980360213.db2.gz OPZYMAKPKAZJRC-MRXNPFEDSA-N -1 3 377.238 3.003 20 0 GGADHM COc1ccc([C@@H]2CCN(Cc3c(C)nn(CCC(=O)[O-])c3C)C2)cc1F ZINC000901544156 980373042 /nfs/dbraw/zinc/37/30/42/980373042.db2.gz SOWUYPXMFYWSQG-MRXNPFEDSA-N -1 3 375.444 3.112 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000901607247 980402652 /nfs/dbraw/zinc/40/26/52/980402652.db2.gz ODZODJQUINBIFB-CLFYSBASSA-N -1 3 376.840 3.235 20 0 GGADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901682026 980446371 /nfs/dbraw/zinc/44/63/71/980446371.db2.gz OGEFERSLJTYSMQ-HXUWFJFHSA-N -1 3 385.508 3.312 20 0 GGADHM O=C([O-])CCN(Cc1cnn(Cc2ccccc2Cl)c1)C[C@@H]1CCCO1 ZINC000901683802 980448430 /nfs/dbraw/zinc/44/84/30/980448430.db2.gz ZZLLIEYGTTWJQC-KRWDZBQOSA-N -1 3 377.872 3.041 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)c(C)c2)CC1 ZINC000901718447 980463406 /nfs/dbraw/zinc/46/34/06/980463406.db2.gz QUNAATFMJCABRA-RMKNXTFCSA-N -1 3 383.448 3.080 20 0 GGADHM CCCCC[C@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000901721612 980464521 /nfs/dbraw/zinc/46/45/21/980464521.db2.gz IOYYRHXRVCJQIE-AWEZNQCLSA-N -1 3 381.274 3.153 20 0 GGADHM CC[C@](O)(CCC(F)(F)F)CNCc1oc(Br)cc1C(=O)[O-] ZINC001595327832 980551176 /nfs/dbraw/zinc/55/11/76/980551176.db2.gz XMDKWWFSJXWAQM-LBPRGKRZSA-N -1 3 388.180 3.314 20 0 GGADHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1OC ZINC000901844325 980566756 /nfs/dbraw/zinc/56/67/56/980566756.db2.gz UJZWLQCXDLIWHI-SFHVURJKSA-N -1 3 377.412 3.466 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(O[C@H]3CCOC3)cc2)C(=O)[O-])cc1Cl ZINC000901846348 980569421 /nfs/dbraw/zinc/56/94/21/980569421.db2.gz BSXMIKMWJOEFGO-QFBILLFUSA-N -1 3 391.851 3.432 20 0 GGADHM C[C@H](NCc1ncc(Br)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901871689 980583729 /nfs/dbraw/zinc/58/37/29/980583729.db2.gz FXHFPKGAWSOAGH-FZMZJTMJSA-N -1 3 381.245 3.405 20 0 GGADHM COc1ccc(-c2nc(CN[C@H](C[C@@H]3CCCOC3)C(=O)[O-])cs2)cc1 ZINC000901928780 980634130 /nfs/dbraw/zinc/63/41/30/980634130.db2.gz NPWYGMZJDKFEKX-SUMWQHHRSA-N -1 3 376.478 3.178 20 0 GGADHM C[C@H](CN(Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1)C(=O)[O-] ZINC000901993937 980673451 /nfs/dbraw/zinc/67/34/51/980673451.db2.gz PFGSICROONLHMH-GFCCVEGCSA-N -1 3 378.270 3.320 20 0 GGADHM CO[C@H]1CCN(Cc2ccc(Br)c3cccnc23)[C@H](C(=O)[O-])C1 ZINC000902031144 980702220 /nfs/dbraw/zinc/70/22/20/980702220.db2.gz HUILLRDNNQZKPK-WFASDCNBSA-N -1 3 379.254 3.061 20 0 GGADHM O=C([O-])c1cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cs1 ZINC000902123910 980745447 /nfs/dbraw/zinc/74/54/47/980745447.db2.gz SKBAJUYQWDNIQV-UHFFFAOYSA-N -1 3 376.453 3.114 20 0 GGADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000902138011 980752881 /nfs/dbraw/zinc/75/28/81/980752881.db2.gz GDXPNCQNIRVUDK-KBVBSXBZSA-N -1 3 390.793 3.381 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1C(F)(F)F)C[C@@H](O)COCc1ccccc1 ZINC000902174843 980768019 /nfs/dbraw/zinc/76/80/19/980768019.db2.gz IWWUJYZTWZDSJD-QGZVFWFLSA-N -1 3 397.393 3.413 20 0 GGADHM CCCCNC(=O)C1(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)CCCCC1 ZINC000902210565 980784233 /nfs/dbraw/zinc/78/42/33/980784233.db2.gz MXZMCAAUYGTOSB-INIZCTEOSA-N -1 3 376.497 3.247 20 0 GGADHM CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902295815 980822100 /nfs/dbraw/zinc/82/21/00/980822100.db2.gz IFWFIQBUWYHVTK-DOTOQJQBSA-N -1 3 377.462 3.090 20 0 GGADHM CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001595368309 980825262 /nfs/dbraw/zinc/82/52/62/980825262.db2.gz FUEBNQOEYDCCEQ-NRFANRHFSA-N -1 3 377.481 3.484 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1cccc(Br)c1C ZINC000902357114 980850393 /nfs/dbraw/zinc/85/03/93/980850393.db2.gz WCRJESRGOUOCQX-UHFFFAOYSA-N -1 3 380.286 3.335 20 0 GGADHM C[C@H]1[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)CC[C@H]1CC(=O)[O-] ZINC000902396003 980868330 /nfs/dbraw/zinc/86/83/30/980868330.db2.gz PFADAAQDUFJPDH-UKPHBRMFSA-N -1 3 387.505 3.052 20 0 GGADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000902396001 980868688 /nfs/dbraw/zinc/86/86/88/980868688.db2.gz PFADAAQDUFJPDH-FRFSOERESA-N -1 3 387.505 3.052 20 0 GGADHM Cc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc(C)c1OCC(=O)[O-] ZINC000902426388 980880819 /nfs/dbraw/zinc/88/08/19/980880819.db2.gz YKEWLUYLIUUATG-QWXGXRTQSA-N -1 3 375.490 3.355 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000902480004 980905221 /nfs/dbraw/zinc/90/52/21/980905221.db2.gz MBZFOYKTGDXLJQ-UHFFFAOYSA-N -1 3 393.491 3.297 20 0 GGADHM CS(=O)(=O)C1(CNCc2ccc(C(=O)[O-])cc2C(F)(F)F)CCCCC1 ZINC000902481316 980906597 /nfs/dbraw/zinc/90/65/97/980906597.db2.gz NUAPTDDZNYIIDT-UHFFFAOYSA-N -1 3 393.427 3.241 20 0 GGADHM O=C([O-])c1ccc(COc2ccccc2CN2CCC3(CC2)COCCO3)cc1 ZINC000902506685 980913291 /nfs/dbraw/zinc/91/32/91/980913291.db2.gz SQUIJEVCXMFOSY-UHFFFAOYSA-N -1 3 397.471 3.345 20 0 GGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cc3c(cc1Br)OCCCO3)C2 ZINC000903610873 980991199 /nfs/dbraw/zinc/99/11/99/980991199.db2.gz CFCYFVPOHYFZNI-UGSOOPFHSA-N -1 3 396.281 3.297 20 0 GGADHM Cc1nc(CC2CCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)no1 ZINC000903630599 981005729 /nfs/dbraw/zinc/00/57/29/981005729.db2.gz FYCLOQJCKYFQRW-MRXNPFEDSA-N -1 3 383.370 3.477 20 0 GGADHM O=C([O-])c1cncc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000903889739 981022552 /nfs/dbraw/zinc/02/25/52/981022552.db2.gz QFWPOMPRZPMDQD-HNNXBMFYSA-N -1 3 382.395 3.349 20 0 GGADHM COc1cc(CN2CCC[C@H]3COCC[C@@H]32)c(Br)cc1C(=O)[O-] ZINC000903899347 981028237 /nfs/dbraw/zinc/02/82/37/981028237.db2.gz YGFREYLAUXURGM-NHYWBVRUSA-N -1 3 384.270 3.157 20 0 GGADHM O=C([O-])c1cnc([C@H]2CCN(Cc3ccc(Cl)cc3-n3cncn3)C2)s1 ZINC000903925771 981043236 /nfs/dbraw/zinc/04/32/36/981043236.db2.gz WQWOWKWZPRGIOR-LBPRGKRZSA-N -1 3 389.868 3.065 20 0 GGADHM COc1cc(CN2CCN(C)C[C@@H]2CC(C)C)c(Br)cc1C(=O)[O-] ZINC000903943362 981067706 /nfs/dbraw/zinc/06/77/06/981067706.db2.gz JBUMQTSURCZBGG-AWEZNQCLSA-N -1 3 399.329 3.318 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CN[C@H](C(=O)[O-])c1cc(F)ccc1F)CC(F)F ZINC000904000433 981079439 /nfs/dbraw/zinc/07/94/39/981079439.db2.gz RESBICKMXFTIFC-HZMBPMFUSA-N -1 3 394.365 3.229 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)CC(F)F ZINC000903998650 981079603 /nfs/dbraw/zinc/07/96/03/981079603.db2.gz VVWDLGKOFGGLPS-IINYFYTJSA-N -1 3 376.375 3.090 20 0 GGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1cn(-c2ccccc2Br)nn1 ZINC000904002129 981079684 /nfs/dbraw/zinc/07/96/84/981079684.db2.gz OFALBDPEKHSUHM-AWEZNQCLSA-N -1 3 381.274 3.009 20 0 GGADHM O=C([O-])CC1CC(NCc2cc(Cl)ccc2I)C1 ZINC000904062099 981083184 /nfs/dbraw/zinc/08/31/84/981083184.db2.gz CAHKTQRGWIPIKM-UHFFFAOYSA-N -1 3 379.625 3.288 20 0 GGADHM CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444679 981090210 /nfs/dbraw/zinc/09/02/10/981090210.db2.gz UIRULXHWENNLAL-OLZOCXBDSA-N -1 3 396.509 3.380 20 0 GGADHM O=C([O-])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)nc1 ZINC000905266280 981091508 /nfs/dbraw/zinc/09/15/08/981091508.db2.gz PPLHRIDLFBJNKL-GOSISDBHSA-N -1 3 393.365 3.173 20 0 GGADHM C[C@@H](Oc1ccc(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775261 981149219 /nfs/dbraw/zinc/14/92/19/981149219.db2.gz LNJSCGPPKMDOQH-OCCSQVGLSA-N -1 3 395.381 3.337 20 0 GGADHM CC[C@@H]1CN(C)CCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001595483800 981214685 /nfs/dbraw/zinc/21/46/85/981214685.db2.gz RDKZHEGQEKBMAD-CYBMUJFWSA-N -1 3 397.306 3.403 20 0 GGADHM CC[C@H]1CN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484371 981219427 /nfs/dbraw/zinc/21/94/27/981219427.db2.gz QFUISKOYRFEVNH-SIKLNZKXSA-N -1 3 398.503 3.426 20 0 GGADHM O=C([O-])[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000907791856 981220433 /nfs/dbraw/zinc/22/04/33/981220433.db2.gz YEIRZFIBDIZQOH-TXTKFYIRSA-N -1 3 378.472 3.198 20 0 GGADHM CC[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@@H]1O ZINC001595490928 981243789 /nfs/dbraw/zinc/24/37/89/981243789.db2.gz IMWNXAGVFYQCIZ-BMIGLBTASA-N -1 3 384.263 3.080 20 0 GGADHM O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000907985794 981251843 /nfs/dbraw/zinc/25/18/43/981251843.db2.gz XIAPRAAESDOQKU-MRXNPFEDSA-N -1 3 382.435 3.325 20 0 GGADHM CC[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)N1CCc2ccccc2C1 ZINC000908721460 981347668 /nfs/dbraw/zinc/34/76/68/981347668.db2.gz XPYMRPWCTVLYHS-YUVSOPLDSA-N -1 3 384.520 3.365 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529585 981364878 /nfs/dbraw/zinc/36/48/78/981364878.db2.gz ZVVUHQSRHFOPEY-DYVFJYSZSA-N -1 3 386.414 3.459 20 0 GGADHM CC(C)N1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857776 981378633 /nfs/dbraw/zinc/37/86/33/981378633.db2.gz UDYLTZXKESECKV-LSDHHAIUSA-N -1 3 388.386 3.090 20 0 GGADHM CC(C)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857774 981378689 /nfs/dbraw/zinc/37/86/89/981378689.db2.gz UDYLTZXKESECKV-GJZGRUSLSA-N -1 3 388.386 3.090 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908898657 981384808 /nfs/dbraw/zinc/38/48/08/981384808.db2.gz PKPSSPALHQRBEX-FPOVZHCZSA-N -1 3 396.462 3.076 20 0 GGADHM C[C@@H](C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])N1CCCCCC1 ZINC000909262434 981450596 /nfs/dbraw/zinc/45/05/96/981450596.db2.gz SPGGIGMLZFNRPU-LAUBAEHRSA-N -1 3 382.504 3.464 20 0 GGADHM CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595573788 981489878 /nfs/dbraw/zinc/48/98/78/981489878.db2.gz URGSWCYLPXYXED-RNCFNFMXSA-N -1 3 377.268 3.017 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)cc2)CC1 ZINC000909512195 981519673 /nfs/dbraw/zinc/51/96/73/981519673.db2.gz CIKJZGJMBUVPHV-UHFFFAOYSA-N -1 3 381.476 3.396 20 0 GGADHM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000909518977 981525222 /nfs/dbraw/zinc/52/52/22/981525222.db2.gz FPMNMUTWCADKBM-QFBILLFUSA-N -1 3 381.476 3.196 20 0 GGADHM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001594740652 981602833 /nfs/dbraw/zinc/60/28/33/981602833.db2.gz PVADHKFPCRLANH-NHCUHLMSSA-N -1 3 395.503 3.186 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC000909791968 981629069 /nfs/dbraw/zinc/62/90/69/981629069.db2.gz XBCAWIHKYRZYMU-RXVVDRJESA-N -1 3 380.488 3.441 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000909819277 981641170 /nfs/dbraw/zinc/64/11/70/981641170.db2.gz NGFYKKNLDGNDSM-HSZRJFAPSA-N -1 3 396.487 3.411 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc([C@H](C)C(=O)[O-])cc3)CC2)c1 ZINC000909841385 981662153 /nfs/dbraw/zinc/66/21/53/981662153.db2.gz QRZNFUZJTGUCCX-SFHVURJKSA-N -1 3 395.503 3.334 20 0 GGADHM CCC[C@H]1[C@H](C)CCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595619984 981683918 /nfs/dbraw/zinc/68/39/18/981683918.db2.gz SSNUZUZEOXFYQO-DYVFJYSZSA-N -1 3 376.453 3.011 20 0 GGADHM CCC[C@@H]1CCc2nc(NC(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)sc2C1 ZINC001595623535 981721843 /nfs/dbraw/zinc/72/18/43/981721843.db2.gz RXLZKVMOUQYISZ-CYBMUJFWSA-N -1 3 394.541 3.061 20 0 GGADHM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)N(CC)CC ZINC000910038961 981738988 /nfs/dbraw/zinc/73/89/88/981738988.db2.gz GVZAEFZFSLAVBL-CYBMUJFWSA-N -1 3 376.375 3.385 20 0 GGADHM CCC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2Br)CCN1CCOC ZINC001595624970 981741207 /nfs/dbraw/zinc/74/12/07/981741207.db2.gz LJEXMUPCUHFKOZ-INIZCTEOSA-N -1 3 399.329 3.080 20 0 GGADHM O=C([O-])[C@]12CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C[C@H]1CCCC2 ZINC000910151498 981766588 /nfs/dbraw/zinc/76/65/88/981766588.db2.gz GHIXZXIGVFEDGQ-NJNPRVFISA-N -1 3 388.483 3.141 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000910193704 981778779 /nfs/dbraw/zinc/77/87/79/981778779.db2.gz NOORNWIEKCWTFF-SFHVURJKSA-N -1 3 394.515 3.273 20 0 GGADHM CN(C)Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)c1 ZINC000910223712 981791605 /nfs/dbraw/zinc/79/16/05/981791605.db2.gz ACTMFLUBKRUFKV-UHFFFAOYSA-N 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ZINC001595639359 981958713 /nfs/dbraw/zinc/95/87/13/981958713.db2.gz WWVIXSRYKJBKPD-SFHVURJKSA-N -1 3 376.497 3.420 20 0 GGADHM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567440 981993740 /nfs/dbraw/zinc/99/37/40/981993740.db2.gz LRQWMBOHPZNDRJ-IEBWSBKVSA-N -1 3 376.472 3.187 20 0 GGADHM O=C([O-])[C@H]1CCc2sc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)nc2C1 ZINC000910678810 982053769 /nfs/dbraw/zinc/05/37/69/982053769.db2.gz YQXLCMHBKKLSFL-HOTGVXAUSA-N -1 3 399.516 3.183 20 0 GGADHM CN(CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1)CC(C)(C)C ZINC000910711537 982077648 /nfs/dbraw/zinc/07/76/48/982077648.db2.gz GOZQPEPCZDTFCP-HNNXBMFYSA-N -1 3 385.302 3.011 20 0 GGADHM CC[C@H](C)[C@H](C(=O)OC)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872824 982189480 /nfs/dbraw/zinc/18/94/80/982189480.db2.gz GGNJLWWKIOFLCV-DANNLKNASA-N -1 3 398.297 3.137 20 0 GGADHM CCCCCC[C@@](O)(CN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1)C(=O)[O-] ZINC001595696440 982228883 /nfs/dbraw/zinc/22/88/83/982228883.db2.gz IMBIBSZXYODLQK-FGZHOGPDSA-N -1 3 389.492 3.273 20 0 GGADHM CCCCCC[C@@](O)(CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)[O-] ZINC001595696522 982229909 /nfs/dbraw/zinc/22/99/09/982229909.db2.gz ANJGFUSMIXVMNP-GQIGUUNPSA-N -1 3 386.533 3.102 20 0 GGADHM CCCCCC[C@](O)(CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)C(=O)[O-] ZINC001595696523 982229963 /nfs/dbraw/zinc/22/99/63/982229963.db2.gz ANJGFUSMIXVMNP-QINHECLXSA-N -1 3 386.533 3.102 20 0 GGADHM CCCCCC[C@@](O)(CN1CCN([C@H](C)c2ccc(F)cc2F)CC1)C(=O)[O-] ZINC001595696735 982233896 /nfs/dbraw/zinc/23/38/96/982233896.db2.gz LJMMOCHRXLWNNV-IIBYNOLFSA-N -1 3 398.494 3.430 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(=O)[O-] ZINC000911105330 982238890 /nfs/dbraw/zinc/23/88/90/982238890.db2.gz USRZUKZFIVGBOP-NVXWUHKLSA-N -1 3 386.517 3.155 20 0 GGADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001594881485 982240426 /nfs/dbraw/zinc/24/04/26/982240426.db2.gz RTGMJLHQNUQMMI-PWSUYJOCSA-N -1 3 396.509 3.379 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)CCc3ccccc3C(=O)[O-])cc2)CC1 ZINC000911112533 982246230 /nfs/dbraw/zinc/24/62/30/982246230.db2.gz ZBCUDHXBDJBSHI-UHFFFAOYSA-N -1 3 381.476 3.098 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1cccc(OC)c1 ZINC000911131933 982252382 /nfs/dbraw/zinc/25/23/82/982252382.db2.gz BRYWTLQEDFMJMV-SFHVURJKSA-N -1 3 388.508 3.229 20 0 GGADHM O=C([O-])c1cc(Br)cc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000911153140 982261925 /nfs/dbraw/zinc/26/19/25/982261925.db2.gz AMNVHJWSKRSCHY-UHFFFAOYSA-N -1 3 395.297 3.238 20 0 GGADHM O=C([O-])c1cn(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c2ccccc12 ZINC000911195727 982279643 /nfs/dbraw/zinc/27/96/43/982279643.db2.gz BFPYWZSJDLJEMS-FQEVSTJZSA-N -1 3 391.471 3.293 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001595711929 982301931 /nfs/dbraw/zinc/30/19/31/982301931.db2.gz FCZXTCMOYGGSQW-MRXNPFEDSA-N -1 3 375.513 3.499 20 0 GGADHM Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000911235540 982306187 /nfs/dbraw/zinc/30/61/87/982306187.db2.gz ALOUYKMKMMGDRA-UHFFFAOYSA-N -1 3 395.503 3.025 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264006 982323252 /nfs/dbraw/zinc/32/32/52/982323252.db2.gz SERMSNZCIJPDGQ-WMZOPIPTSA-N -1 3 391.471 3.291 20 0 GGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000911271620 982324995 /nfs/dbraw/zinc/32/49/95/982324995.db2.gz ATFIBWVHWQGTND-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000911271745 982325712 /nfs/dbraw/zinc/32/57/12/982325712.db2.gz LNRPTZAMFCYCHU-ZDUSSCGKSA-N -1 3 386.473 3.237 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911300196 982331152 /nfs/dbraw/zinc/33/11/52/982331152.db2.gz IOTCOWYXSHDTDT-UHFFFAOYSA-N -1 3 382.451 3.280 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911300183 982331359 /nfs/dbraw/zinc/33/13/59/982331359.db2.gz IHFRVXKTJLGVFP-UHFFFAOYSA-N -1 3 378.831 3.381 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000911300743 982332828 /nfs/dbraw/zinc/33/28/28/982332828.db2.gz STLJLFFJDOHHPQ-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM O=C([O-])/C=C/c1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)o1 ZINC000911322423 982345810 /nfs/dbraw/zinc/34/58/10/982345810.db2.gz KOPWJPGBEQOGIY-SOFGYWHQSA-N -1 3 386.473 3.221 20 0 GGADHM O=C(/C=C\c1cc(C(=O)[O-])co1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000911323102 982347243 /nfs/dbraw/zinc/34/72/43/982347243.db2.gz QVRODEGRZWNQJV-WAYWQWQTSA-N -1 3 386.473 3.221 20 0 GGADHM O=C(/C=C/c1cc(C(=O)[O-])co1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000911323101 982347444 /nfs/dbraw/zinc/34/74/44/982347444.db2.gz QVRODEGRZWNQJV-AATRIKPKSA-N -1 3 386.473 3.221 20 0 GGADHM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN(C)CC(C)(C)C ZINC000911329318 982354075 /nfs/dbraw/zinc/35/40/75/982354075.db2.gz OBRAEUVFYCIBBF-HNNXBMFYSA-N -1 3 387.480 3.441 20 0 GGADHM C[C@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])N(C)Cc1ccccc1 ZINC000911377337 982394471 /nfs/dbraw/zinc/39/44/71/982394471.db2.gz PUIQIYXHIAKZHU-OAHLLOKOSA-N -1 3 379.460 3.045 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC000911384544 982407256 /nfs/dbraw/zinc/40/72/56/982407256.db2.gz CZUNGALDEHMBJE-UZLBHIALSA-N -1 3 391.471 3.119 20 0 GGADHM CC1CCC(N2CCN(C(=O)c3[nH]c4ccccc4c3CC(=O)[O-])CC2)CC1 ZINC000911385022 982407309 /nfs/dbraw/zinc/40/73/09/982407309.db2.gz JXKUYJDNTZHHTN-UHFFFAOYSA-N -1 3 383.492 3.132 20 0 GGADHM C[C@@H]1[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC000911384543 982407703 /nfs/dbraw/zinc/40/77/03/982407703.db2.gz CZUNGALDEHMBJE-OXQOHEQNSA-N -1 3 391.471 3.119 20 0 GGADHM C[C@H]1[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC000911384542 982407886 /nfs/dbraw/zinc/40/78/86/982407886.db2.gz CZUNGALDEHMBJE-OXJNMPFZSA-N -1 3 391.471 3.119 20 0 GGADHM Cc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc(C)c1OCC(=O)[O-] ZINC000911386076 982409156 /nfs/dbraw/zinc/40/91/56/982409156.db2.gz XZWHVBJUGCOHIW-UHFFFAOYSA-N -1 3 388.508 3.103 20 0 GGADHM CCCCN(CCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001595749135 982420691 /nfs/dbraw/zinc/42/06/91/982420691.db2.gz JHSAYJJEJKXAIQ-UHFFFAOYSA-N -1 3 386.279 3.472 20 0 GGADHM CCCCNC(=O)C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001595755724 982447877 /nfs/dbraw/zinc/44/78/77/982447877.db2.gz CNFWDCOWXUFREL-MRXNPFEDSA-N -1 3 386.414 3.459 20 0 GGADHM CCCCNC(=O)[C@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756067 982453399 /nfs/dbraw/zinc/45/33/99/982453399.db2.gz QOTLWQNHQSTYMU-XJKSGUPXSA-N -1 3 397.313 3.203 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccccc2CCC(=O)[O-])CCN1Cc1ccccc1 ZINC000911501139 982459424 /nfs/dbraw/zinc/45/94/24/982459424.db2.gz RXYIRNGQAUKTLJ-GOSISDBHSA-N -1 3 380.488 3.440 20 0 GGADHM CCCCNC(=O)OC[C@H]1CCCCN1CCOc1ccccc1C(=O)[O-] ZINC001595759196 982464262 /nfs/dbraw/zinc/46/42/62/982464262.db2.gz UBOKJTVMVZGTJR-MRXNPFEDSA-N -1 3 378.469 3.144 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000911532690 982478441 /nfs/dbraw/zinc/47/84/41/982478441.db2.gz CNEPJBOZHOOHSQ-GOSISDBHSA-N -1 3 380.488 3.298 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000911535158 982480046 /nfs/dbraw/zinc/48/00/46/982480046.db2.gz VNVWTKBGHBPFPJ-SFHVURJKSA-N -1 3 380.488 3.298 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc(C)c1OCC(=O)[O-] ZINC000911545953 982489050 /nfs/dbraw/zinc/48/90/50/982489050.db2.gz NSPBAJGYAAJPFZ-UZLBHIALSA-N -1 3 384.476 3.188 20 0 GGADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000911547720 982492013 /nfs/dbraw/zinc/49/20/13/982492013.db2.gz YSQNLESPUXQJDO-UHFFFAOYSA-N -1 3 376.497 3.123 20 0 GGADHM CCCCO[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1(C)C ZINC001595770735 982511921 /nfs/dbraw/zinc/51/19/21/982511921.db2.gz MGKWYMBQERRXIS-SOUVJXGZSA-N -1 3 380.510 3.125 20 0 GGADHM CCCCOc1ccc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c(C)c1 ZINC001595775819 982542390 /nfs/dbraw/zinc/54/23/90/982542390.db2.gz YPPKFILJBIQCOO-UHFFFAOYSA-N -1 3 377.485 3.187 20 0 GGADHM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(CN2CCCCC2)c1)c1ccncc1 ZINC000911622828 982566584 /nfs/dbraw/zinc/56/65/84/982566584.db2.gz FXMDSGJKHANEHE-QFIPXVFZSA-N -1 3 381.476 3.187 20 0 GGADHM COc1ccc([C@H](CN2CCCC2)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000911656287 982586114 /nfs/dbraw/zinc/58/61/14/982586114.db2.gz WZGZMVXBYSVHTR-NRFANRHFSA-N -1 3 396.487 3.279 20 0 GGADHM CCCCc1nnc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC001595798718 982610681 /nfs/dbraw/zinc/61/06/81/982610681.db2.gz FRPXBCJCMHBCOM-INIZCTEOSA-N -1 3 390.509 3.261 20 0 GGADHM CC[C@H](C)C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001594939939 982611921 /nfs/dbraw/zinc/61/19/21/982611921.db2.gz VZFMLZVOIOWYCJ-XIRDDKMYSA-N -1 3 382.451 3.149 20 0 GGADHM CC[C@@H](C)C[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001594953096 982676713 /nfs/dbraw/zinc/67/67/13/982676713.db2.gz NCXNDKYGTUGMFZ-SKDRFNHKSA-N -1 3 379.213 3.409 20 0 GGADHM CCCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)[C@H]1CCN(C)C1 ZINC001595821323 982688861 /nfs/dbraw/zinc/68/88/61/982688861.db2.gz GHTNFOWTGKHPNR-LBPRGKRZSA-N -1 3 384.274 3.095 20 0 GGADHM CCCN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595823003 982695911 /nfs/dbraw/zinc/69/59/11/982695911.db2.gz UUQMTMALVXDVFD-PMACEKPBSA-N -1 3 385.508 3.246 20 0 GGADHM CCCN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595823006 982696327 /nfs/dbraw/zinc/69/63/27/982696327.db2.gz UUQMTMALVXDVFD-WOJBJXKFSA-N -1 3 385.508 3.246 20 0 GGADHM O=C([O-])c1ccccc1CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000923124076 982743110 /nfs/dbraw/zinc/74/31/10/982743110.db2.gz HQFSEOPOUWUJPG-SFHVURJKSA-N -1 3 384.451 3.095 20 0 GGADHM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000923124075 982743336 /nfs/dbraw/zinc/74/33/36/982743336.db2.gz HQFSEOPOUWUJPG-GOSISDBHSA-N -1 3 384.451 3.095 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595836716 982744610 /nfs/dbraw/zinc/74/46/10/982744610.db2.gz KSSODJRROCZOHD-INIZCTEOSA-N -1 3 378.856 3.373 20 0 GGADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC001595863161 982807127 /nfs/dbraw/zinc/80/71/27/982807127.db2.gz VGELFVFTSKSHBJ-ZDUSSCGKSA-N -1 3 390.402 3.299 20 0 GGADHM CC[C@@H](C)NC(=O)c1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001594991431 982854749 /nfs/dbraw/zinc/85/47/49/982854749.db2.gz HKUTVEUVHAFWDP-OAHLLOKOSA-N -1 3 383.492 3.341 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccco1 ZINC001594994520 982877245 /nfs/dbraw/zinc/87/72/45/982877245.db2.gz NIVYLOCKAUFXHL-KSSFIOAISA-N -1 3 385.464 3.175 20 0 GGADHM CC[C@@H](C)N[C@H](CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccco1 ZINC001594994521 982877898 /nfs/dbraw/zinc/87/78/98/982877898.db2.gz NIVYLOCKAUFXHL-RDTXWAMCSA-N -1 3 385.464 3.175 20 0 GGADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccco1 ZINC001594995375 982893669 /nfs/dbraw/zinc/89/36/69/982893669.db2.gz WNWBPLRYPQXBSG-DOMZBBRYSA-N -1 3 375.425 3.237 20 0 GGADHM CCCN(CCc1cn(CC(=O)[O-])nn1)[C@@H](C)c1ccccc1Br ZINC001595884442 982906224 /nfs/dbraw/zinc/90/62/24/982906224.db2.gz YHDBHZKAUMMWAW-ZDUSSCGKSA-N -1 3 395.301 3.141 20 0 GGADHM CCCN1CCN(c2ccccc2CN(C)Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001119597762 982999917 /nfs/dbraw/zinc/99/99/17/982999917.db2.gz RISVPMKETJYUMQ-UHFFFAOYSA-N -1 3 385.508 3.450 20 0 GGADHM CCCN1CCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)CC1 ZINC001595911989 983003931 /nfs/dbraw/zinc/00/39/31/983003931.db2.gz DHZVNIRZEHMPBK-UHFFFAOYSA-N -1 3 388.464 3.093 20 0 GGADHM CCCNC(=O)c1cccc(CNCc2ccnc3c(C(=O)[O-])cccc23)c1 ZINC001595930550 983054776 /nfs/dbraw/zinc/05/47/76/983054776.db2.gz CCOGCUFWTCLVMR-UHFFFAOYSA-N -1 3 377.444 3.363 20 0 GGADHM CCCn1cc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)c(C)n1 ZINC001596116699 983448443 /nfs/dbraw/zinc/44/84/43/983448443.db2.gz NBGCJFTUFMBCLE-KRWDZBQOSA-N -1 3 380.286 3.454 20 0 GGADHM CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001596118356 983452895 /nfs/dbraw/zinc/45/28/95/983452895.db2.gz VOBAWLXZGACWQY-CQSZACIVSA-N -1 3 392.525 3.253 20 0 GGADHM CCN(C(=O)CNCc1c2cc(F)ccc2n(C)c1C(=O)[O-])c1ccccc1 ZINC001596142988 983495629 /nfs/dbraw/zinc/49/56/29/983495629.db2.gz JBXJUFUIHZXYKQ-UHFFFAOYSA-N -1 3 383.423 3.158 20 0 GGADHM CCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596151347 983511890 /nfs/dbraw/zinc/51/18/90/983511890.db2.gz VCHNPYCLKMYWTK-HXUWFJFHSA-N -1 3 381.476 3.442 20 0 GGADHM CCN(C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])[C@H]1CCN(C)C1 ZINC001596159179 983523078 /nfs/dbraw/zinc/52/30/78/983523078.db2.gz YVAINSZINCIWTP-ZDUSSCGKSA-N -1 3 385.917 3.465 20 0 GGADHM CCN(C(=O)c1ccccc1CCC(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596171088 983536764 /nfs/dbraw/zinc/53/67/64/983536764.db2.gz USKHXLYTKDQHJU-HXUWFJFHSA-N -1 3 380.488 3.440 20 0 GGADHM CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001596228954 983620738 /nfs/dbraw/zinc/62/07/38/983620738.db2.gz YONUEBPHYKSCAJ-AEFFLSMTSA-N -1 3 383.492 3.361 20 0 GGADHM CCN(CC)C(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001596242610 983642550 /nfs/dbraw/zinc/64/25/50/983642550.db2.gz YICBNBLLZDPAGB-INIZCTEOSA-N -1 3 397.313 3.155 20 0 GGADHM CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC001596276267 983696148 /nfs/dbraw/zinc/69/61/48/983696148.db2.gz FFZBUGXEQKZEEL-UHFFFAOYSA-N -1 3 376.478 3.336 20 0 GGADHM CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC001596278367 983699912 /nfs/dbraw/zinc/69/99/12/983699912.db2.gz WRVDANFGOUDOTJ-UHFFFAOYSA-N -1 3 376.478 3.336 20 0 GGADHM CCN(Cc1oncc1C(=O)[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001596380726 983903941 /nfs/dbraw/zinc/90/39/41/983903941.db2.gz WPHKWPDWCUOOEJ-UHFFFAOYSA-N -1 3 387.484 3.086 20 0 GGADHM CCN1CC[C@@H](NCc2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410625 984002881 /nfs/dbraw/zinc/00/28/81/984002881.db2.gz RPNCHPQTNXDDKT-MSOLQXFVSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CC[C@@H](NCc2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410927 984004953 /nfs/dbraw/zinc/00/49/53/984004953.db2.gz WTQLFAYFMLHEHK-AEFFLSMTSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C[C@H]1C ZINC001596436109 984115556 /nfs/dbraw/zinc/11/55/56/984115556.db2.gz GUOSNTOYYZGBNA-OAHLLOKOSA-N -1 3 388.464 3.091 20 0 GGADHM CCN1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)C1 ZINC001596436649 984123200 /nfs/dbraw/zinc/12/32/00/984123200.db2.gz YGJQNESTQXGBOI-LBPRGKRZSA-N -1 3 397.306 3.403 20 0 GGADHM CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C(=O)[O-])o2)CC1 ZINC001596441807 984130435 /nfs/dbraw/zinc/13/04/35/984130435.db2.gz APVWYJLYHAXOLQ-AWEZNQCLSA-N -1 3 375.444 3.110 20 0 GGADHM CCN1CCN(c2ccc(NCc3ccccc3O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001596441856 984130871 /nfs/dbraw/zinc/13/08/71/984130871.db2.gz DPZVEPZHOADALB-KRWDZBQOSA-N -1 3 383.492 3.293 20 0 GGADHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617215 984587840 /nfs/dbraw/zinc/58/78/40/984587840.db2.gz MMQLNUDYWWZQHU-GOEBONIOSA-N -1 3 387.432 3.187 20 0 GGADHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617216 984587923 /nfs/dbraw/zinc/58/79/23/984587923.db2.gz MMQLNUDYWWZQHU-HOCLYGCPSA-N -1 3 387.432 3.187 20 0 GGADHM CCOC(=O)Cn1cc(CNCc2cccc(C(=O)[O-])c2)c(-c2ccccc2)n1 ZINC001596637811 984628819 /nfs/dbraw/zinc/62/88/19/984628819.db2.gz MADUOSUEJKVOLH-UHFFFAOYSA-N -1 3 393.443 3.101 20 0 GGADHM CCOC(=O)N1CCC([C@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001596644119 984648023 /nfs/dbraw/zinc/64/80/23/984648023.db2.gz FQEATAORYGLMKW-ZBEGNZNMSA-N -1 3 386.851 3.451 20 0 GGADHM CCOC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)[nH]c1C ZINC001596706033 984906170 /nfs/dbraw/zinc/90/61/70/984906170.db2.gz FBEJQCRCCMXPGU-MRXNPFEDSA-N -1 3 380.828 3.077 20 0 GGADHM CCOC(=O)c1cc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)[nH]c1C ZINC001596707789 984918618 /nfs/dbraw/zinc/91/86/18/984918618.db2.gz ZMPCYUOBOANOCK-HNNXBMFYSA-N -1 3 384.354 3.434 20 0 GGADHM C[C@H]1CC[C@@](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)(C(=O)[O-])CC1 ZINC001599908358 984951784 /nfs/dbraw/zinc/95/17/84/984951784.db2.gz VVKUGGNUNIHLKZ-KNBMTAEXSA-N -1 3 394.462 3.294 20 0 GGADHM CCOC(=O)c1ccc2c(c1)nc(CN1CC[C@@]3(C(=O)[O-])CCC[C@@H]13)n2CC ZINC001596729487 984990433 /nfs/dbraw/zinc/99/04/33/984990433.db2.gz REOVJOIPFDYKGL-UTKZUKDTSA-N -1 3 385.464 3.062 20 0 GGADHM CCO[C@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCCC2 ZINC001596833884 985471726 /nfs/dbraw/zinc/47/17/26/985471726.db2.gz RNGKICJYKOFISV-KGLIPLIRSA-N -1 3 380.510 3.329 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])c3n2CCCC3)[C@H]1Oc1ccccc1 ZINC001596836465 985483190 /nfs/dbraw/zinc/48/31/90/985483190.db2.gz CYPJATHEDHDTIF-CEWLAPEOSA-N -1 3 384.476 3.237 20 0 GGADHM CCO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])c3n2CCCC3)[C@H]1Oc1ccccc1 ZINC001596836466 985483211 /nfs/dbraw/zinc/48/32/11/985483211.db2.gz CYPJATHEDHDTIF-HMXCVIKNSA-N -1 3 384.476 3.237 20 0 GGADHM CCO[C@@H]1C[C@@](NCc2cc(OC)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596837115 985490966 /nfs/dbraw/zinc/49/09/66/985490966.db2.gz HHOFHYXUNFDYHM-RHSMWYFYSA-N -1 3 386.286 3.206 20 0 GGADHM Cc1[nH]c(C(=O)CNC2(Cc3cccc(F)c3)CCOCC2)c(C)c1C(=O)[O-] ZINC001599946914 985542712 /nfs/dbraw/zinc/54/27/12/985542712.db2.gz IIYRHYYTHFVXPI-UHFFFAOYSA-N -1 3 388.439 3.033 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)CCN1C1CCCC1 ZINC001594490148 985598925 /nfs/dbraw/zinc/59/89/25/985598925.db2.gz WMSAAEKUFVSDMG-GFCCVEGCSA-N -1 3 395.297 3.236 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@@H](C(=O)[O-])c3cc(C)cc(C)c3)cc(=O)oc2c1 ZINC001589204106 985657492 /nfs/dbraw/zinc/65/74/92/985657492.db2.gz IAWDXKRYZVTGNQ-OAQYLSRUSA-N -1 3 394.427 3.284 20 0 GGADHM Cc1[nH]c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c(C)c1C(=O)[O-] ZINC001599954853 985670913 /nfs/dbraw/zinc/67/09/13/985670913.db2.gz OMEWEJBUNSLQCK-UHFFFAOYSA-N -1 3 387.505 3.173 20 0 GGADHM Cc1[nH]c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)cc1C(=O)[O-] ZINC001599961839 985797436 /nfs/dbraw/zinc/79/74/36/985797436.db2.gz JQJJJPCVSGZDLP-NFAWXSAZSA-N -1 3 379.501 3.393 20 0 GGADHM CCOC[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C(C)C ZINC001596888851 985798630 /nfs/dbraw/zinc/79/86/30/985798630.db2.gz AOOFZEIEPGTBOE-TZMCWYRMSA-N -1 3 382.526 3.160 20 0 GGADHM Cc1[nH]c(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1C(=O)[O-] ZINC001599963103 985832999 /nfs/dbraw/zinc/83/29/99/985832999.db2.gz IATWEFTZMFLGKA-IAGOWNOFSA-N -1 3 381.398 3.174 20 0 GGADHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cccc(Br)c1Cl ZINC001594524690 986024981 /nfs/dbraw/zinc/02/49/81/986024981.db2.gz CDPOSKBOOQFHFE-NSHDSACASA-N -1 3 375.694 3.083 20 0 GGADHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Cl)cc(Br)c1 ZINC001594526351 986050847 /nfs/dbraw/zinc/05/08/47/986050847.db2.gz VSXXZGZYNDBYJN-NSHDSACASA-N -1 3 375.694 3.083 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532098 986129437 /nfs/dbraw/zinc/12/94/37/986129437.db2.gz TYXXQMVWMQJFQG-UZRURVBFSA-N -1 3 380.488 3.370 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594532166 986130849 /nfs/dbraw/zinc/13/08/49/986130849.db2.gz VACDINYAYDKJTB-RVXYDWPOSA-N -1 3 389.492 3.463 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542254 986181483 /nfs/dbraw/zinc/18/14/83/986181483.db2.gz IBHCWZXCFMRAKI-UZLBHIALSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@H](Oc1ccccc1CNCc1cccc(CN2CCO[C@@H](C)C2)c1)C(=O)[O-] ZINC001594542952 986191290 /nfs/dbraw/zinc/19/12/90/986191290.db2.gz WNCGGCKRLZAJTE-ROUUACIJSA-N -1 3 398.503 3.049 20 0 GGADHM C[C@H](Oc1ccccc1CNCc1cccc(CN2CCO[C@H](C)C2)c1)C(=O)[O-] ZINC001594542950 986191609 /nfs/dbraw/zinc/19/16/09/986191609.db2.gz WNCGGCKRLZAJTE-MSOLQXFVSA-N -1 3 398.503 3.049 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543824 986196222 /nfs/dbraw/zinc/19/62/22/986196222.db2.gz BQJXAXLODJATCW-HXOBKFHXSA-N -1 3 398.478 3.389 20 0 GGADHM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)N1CCC(Cc2ccccc2)CC1 ZINC001589339791 986239527 /nfs/dbraw/zinc/23/95/27/986239527.db2.gz ILOCRZAHLHKZBR-QGZVFWFLSA-N -1 3 395.503 3.081 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001589349720 986302008 /nfs/dbraw/zinc/30/20/08/986302008.db2.gz KGEDCYPIYUVYQF-CRAIPNDOSA-N -1 3 383.492 3.059 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589352043 986319731 /nfs/dbraw/zinc/31/97/31/986319731.db2.gz DLYHVEZGVSYGIV-VGSWGCGISA-N -1 3 392.499 3.346 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589352039 986319909 /nfs/dbraw/zinc/31/99/09/986319909.db2.gz DLYHVEZGVSYGIV-HTAPYJJXSA-N -1 3 392.499 3.346 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCC(=O)Nc1cccc(F)c1 ZINC001594569856 986385887 /nfs/dbraw/zinc/38/58/87/986385887.db2.gz NJUBMTLCUBODPY-HNNXBMFYSA-N -1 3 385.439 3.063 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc(-n2ccnc2)cs1 ZINC001594570658 986393851 /nfs/dbraw/zinc/39/38/51/986393851.db2.gz TUAZIWWAAUDQQH-HNNXBMFYSA-N -1 3 382.489 3.343 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCC(=O)Nc1ccccc1F ZINC001594570798 986397745 /nfs/dbraw/zinc/39/77/45/986397745.db2.gz VCGLOUACRJGLJU-HNNXBMFYSA-N -1 3 385.439 3.063 20 0 GGADHM C[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC001589368510 986399899 /nfs/dbraw/zinc/39/98/99/986399899.db2.gz CHSZMBGRAPMDBM-SNYIIPAISA-N -1 3 398.547 3.433 20 0 GGADHM C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc(C(=O)[O-])cs1 ZINC001594578397 986431537 /nfs/dbraw/zinc/43/15/37/986431537.db2.gz YQSPCCCLMBUJGT-MCIONIFRSA-N -1 3 375.494 3.306 20 0 GGADHM CCOc1cc(CN2CC[C@H](O)[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030404 986444303 /nfs/dbraw/zinc/44/43/03/986444303.db2.gz AFZRUQZUCQZAEJ-YOEHRIQHSA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN2CC[C@H](O)[C@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030401 986444459 /nfs/dbraw/zinc/44/44/59/986444459.db2.gz AFZRUQZUCQZAEJ-PBHICJAKSA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN2CC[C@H](C)[C@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030411 986444536 /nfs/dbraw/zinc/44/45/36/986444536.db2.gz AKAIFKHRTRVMCC-WMLDXEAASA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1ccc([C@@H](O)C2CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)cc1 ZINC001597075014 986604409 /nfs/dbraw/zinc/60/44/09/986604409.db2.gz ZASPRJURYDGPNJ-HSZRJFAPSA-N -1 3 399.487 3.494 20 0 GGADHM CCOc1ccc(C[C@H](CNCc2nc(Br)cs2)C(=O)[O-])cc1 ZINC001597094351 986676666 /nfs/dbraw/zinc/67/66/66/986676666.db2.gz DTYRJLIAGWOFJU-GFCCVEGCSA-N -1 3 399.310 3.337 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589431087 986724104 /nfs/dbraw/zinc/72/41/04/986724104.db2.gz DJFKOIMUBSCDEI-GOEBONIOSA-N -1 3 384.480 3.227 20 0 GGADHM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNCc1ccc(C(=O)[O-])cc1Br)O2 ZINC001594639890 986782466 /nfs/dbraw/zinc/78/24/66/986782466.db2.gz KRSFFDNYQTWKSV-SJECXTJVSA-N -1 3 398.297 3.210 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440291 986784748 /nfs/dbraw/zinc/78/47/48/986784748.db2.gz WEVANQAJTMFSBX-HJPURHCSSA-N -1 3 396.487 3.249 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597172497 987004227 /nfs/dbraw/zinc/00/42/27/987004227.db2.gz FQPMFUUTUXDHDU-AEFFLSMTSA-N -1 3 390.524 3.475 20 0 GGADHM CCS(=O)(=O)c1ccc(CNCc2ccnc3c(C(=O)[O-])cccc23)cc1 ZINC001597236817 987205203 /nfs/dbraw/zinc/20/52/03/987205203.db2.gz MXRAQVIFGLBMEK-UHFFFAOYSA-N -1 3 384.457 3.016 20 0 GGADHM CC(C)(C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)N1CCCCC1 ZINC001589564292 987327645 /nfs/dbraw/zinc/32/76/45/987327645.db2.gz SDGXWDPVHARQJU-DLBZAZTESA-N -1 3 378.900 3.231 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC001589602296 987432205 /nfs/dbraw/zinc/43/22/05/987432205.db2.gz XCPMAZKGEZDGOX-SFHVURJKSA-N -1 3 375.490 3.043 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616197 987476123 /nfs/dbraw/zinc/47/61/23/987476123.db2.gz MYAKGVYUEAYFEU-UONOGXRCSA-N -1 3 398.425 3.200 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)OC)c1ccccc1 ZINC001597349460 987485785 /nfs/dbraw/zinc/48/57/85/987485785.db2.gz JYSJJENSCWIAQS-GUYCJALGSA-N -1 3 384.432 3.239 20 0 GGADHM CCc1[nH]c(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC001597357550 987507178 /nfs/dbraw/zinc/50/71/78/987507178.db2.gz AZNCSMMCLMLLEL-UHFFFAOYSA-N -1 3 393.434 3.066 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Cc2coc3c2ccc(Cl)c3Cl)CC1 ZINC001589622950 987508508 /nfs/dbraw/zinc/50/85/08/987508508.db2.gz NMEBRBOZOOGSQY-UHFFFAOYSA-N -1 3 399.274 3.290 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001589622905 987508521 /nfs/dbraw/zinc/50/85/21/987508521.db2.gz DXHTTZOWRIVJJB-WBVHZDCISA-N -1 3 393.915 3.167 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001589622904 987508535 /nfs/dbraw/zinc/50/85/35/987508535.db2.gz DXHTTZOWRIVJJB-RDJZCZTQSA-N -1 3 393.915 3.167 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC001589623098 987510328 /nfs/dbraw/zinc/51/03/28/987510328.db2.gz RCBBNXGLWUMXAE-UHFFFAOYSA-N -1 3 380.897 3.105 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccccc2OCc2ccccc2)CC1 ZINC001589627516 987521816 /nfs/dbraw/zinc/52/18/16/987521816.db2.gz DNFBCYYSLULTIP-UHFFFAOYSA-N -1 3 397.475 3.278 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC001589627729 987522923 /nfs/dbraw/zinc/52/29/23/987522923.db2.gz IYSOYPCSCCEENP-UHFFFAOYSA-N -1 3 395.550 3.178 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC001589627974 987527295 /nfs/dbraw/zinc/52/72/95/987527295.db2.gz YDLPOSFYSGTETC-UHFFFAOYSA-N -1 3 375.469 3.021 20 0 GGADHM CCc1[nH]c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC001597363372 987529551 /nfs/dbraw/zinc/52/95/51/987529551.db2.gz HILYWHFPBVSNJH-GOSISDBHSA-N -1 3 385.508 3.470 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001589631365 987539221 /nfs/dbraw/zinc/53/92/21/987539221.db2.gz NVQLQIYNFNEHHU-UHFFFAOYSA-N -1 3 393.940 3.368 20 0 GGADHM CCc1[nH]c(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)c(C)c1C(=O)[O-] ZINC001597367633 987543555 /nfs/dbraw/zinc/54/35/55/987543555.db2.gz ZKDNANFUMPJORQ-INIZCTEOSA-N -1 3 389.521 3.338 20 0 GGADHM CCc1[nH]c(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)c(C)c1C(=O)[O-] ZINC001597367634 987543695 /nfs/dbraw/zinc/54/36/95/987543695.db2.gz ZKDNANFUMPJORQ-MRXNPFEDSA-N -1 3 389.521 3.338 20 0 GGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC001589637573 987556613 /nfs/dbraw/zinc/55/66/13/987556613.db2.gz FRTFWFXAUZDIFD-GOSISDBHSA-N -1 3 383.448 3.354 20 0 GGADHM CCc1[nH]c(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597385034 987593227 /nfs/dbraw/zinc/59/32/27/987593227.db2.gz PQHWUNROBHHRQH-CQSZACIVSA-N -1 3 379.501 3.402 20 0 GGADHM CCc1[nH]c(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc1C(=O)OC ZINC001597395596 987648206 /nfs/dbraw/zinc/64/82/06/987648206.db2.gz XDCLNMPNAHSFAD-UHFFFAOYSA-N -1 3 399.472 3.475 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001597424606 987747927 /nfs/dbraw/zinc/74/79/27/987747927.db2.gz SVCNMPDEDQNJMS-UHFFFAOYSA-N -1 3 398.301 3.024 20 0 GGADHM CCc1ccc(Br)c(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC001597494722 988037887 /nfs/dbraw/zinc/03/78/87/988037887.db2.gz HJQYSABJOIDYIG-UHFFFAOYSA-N -1 3 398.301 3.024 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)N(C)C)cc1 ZINC001597512708 988100894 /nfs/dbraw/zinc/10/08/94/988100894.db2.gz DKAHXLWGPIXEMJ-OAQYLSRUSA-N -1 3 395.503 3.318 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC)N(C)C)cc1 ZINC001597513518 988112009 /nfs/dbraw/zinc/11/20/09/988112009.db2.gz WLKWJJFXNFTKQR-SFHVURJKSA-N -1 3 385.464 3.380 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC)N(C)C)cc1 ZINC001597513517 988112075 /nfs/dbraw/zinc/11/20/75/988112075.db2.gz WLKWJJFXNFTKQR-GOSISDBHSA-N -1 3 385.464 3.380 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)N(C)C)cc1 ZINC001597513457 988112099 /nfs/dbraw/zinc/11/20/99/988112099.db2.gz VCZWIAPYVIBVFV-IBGZPJMESA-N -1 3 385.464 3.137 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)N(C)C)cc1 ZINC001597513644 988114670 /nfs/dbraw/zinc/11/46/70/988114670.db2.gz ZMHMZYKVXYSYJD-HXUWFJFHSA-N -1 3 398.507 3.438 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001589806161 988227721 /nfs/dbraw/zinc/22/77/21/988227721.db2.gz LUCQQVVWHLDKKG-MRXNPFEDSA-N -1 3 387.249 3.298 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806786 988235151 /nfs/dbraw/zinc/23/51/51/988235151.db2.gz UOWQXSYGYNQPBL-IERDGZPVSA-N -1 3 376.472 3.133 20 0 GGADHM CC(C)(C)N1CC[C@H]1CNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001589814881 988249541 /nfs/dbraw/zinc/24/95/41/988249541.db2.gz JTJMOIKEDFSCGW-YESZJQIVSA-N -1 3 393.915 3.022 20 0 GGADHM CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001589816116 988257620 /nfs/dbraw/zinc/25/76/20/988257620.db2.gz VMEDMQVNSDYEDS-MRXNPFEDSA-N -1 3 379.526 3.389 20 0 GGADHM CSc1ccc(NC(=O)[C@H](C)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815931 988424342 /nfs/dbraw/zinc/42/43/42/988424342.db2.gz JDYCMLJTHUFQNK-YCRPNKLZSA-N -1 3 384.501 3.464 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815930 988424526 /nfs/dbraw/zinc/42/45/26/988424526.db2.gz JDYCMLJTHUFQNK-VFNWGFHPSA-N -1 3 384.501 3.464 20 0 GGADHM CC(C)(C)OC(=O)C1CCN(c2ccc(CN3CCC(C(=O)[O-])CC3)o2)CC1 ZINC001589861494 988441761 /nfs/dbraw/zinc/44/17/61/988441761.db2.gz IKNKCNCJYUHOHT-UHFFFAOYSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)CCN(Cc1cc(C(=O)[O-])ccc1F)C1CCOCC1 ZINC001589873846 988522506 /nfs/dbraw/zinc/52/25/06/988522506.db2.gz FPVCHLXXGDFTAC-UHFFFAOYSA-N -1 3 381.444 3.237 20 0 GGADHM CSc1cccc(NC(=O)[C@H](C)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822865 988545428 /nfs/dbraw/zinc/54/54/28/988545428.db2.gz ZUFZPJOUMFYXDN-BTYIYWSLSA-N -1 3 384.501 3.464 20 0 GGADHM CSc1ccccc1CN1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001599824304 988570049 /nfs/dbraw/zinc/57/00/49/988570049.db2.gz WNPPZNBZZOUYAV-HNNXBMFYSA-N -1 3 380.510 3.305 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H](CCNCc2cc(C(=O)[O-])no2)c2ccccc21 ZINC001589929643 988687951 /nfs/dbraw/zinc/68/79/51/988687951.db2.gz GBCYHZGNHHYPET-CYBMUJFWSA-N -1 3 387.436 3.391 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C/c1cccc(F)c1)C[C@@H]2C(=O)[O-] ZINC001589947593 988736366 /nfs/dbraw/zinc/73/63/66/988736366.db2.gz GGMGKXIDLFJTTD-QQOXCAACSA-N -1 3 390.455 3.092 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cc(Cl)ccc1Cl ZINC001599838658 988786632 /nfs/dbraw/zinc/78/66/32/988786632.db2.gz PDEWMUAWRFWPHF-LLVKDONJSA-N -1 3 388.295 3.245 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972022 988807464 /nfs/dbraw/zinc/80/74/64/988807464.db2.gz OPIYMALPNMANLI-DLBZAZTESA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972206 988811991 /nfs/dbraw/zinc/81/19/91/988811991.db2.gz XCPVDILKZJQYKT-HOTGVXAUSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](N[C@H](C(=O)[O-])c2ccccc2F)C12CCC2 ZINC001589984406 988872143 /nfs/dbraw/zinc/87/21/43/988872143.db2.gz XXIANAFAHFCRCQ-CVEARBPZSA-N -1 3 378.444 3.473 20 0 GGADHM CC(C)(C)OC(=O)N1CCC12CCN([C@@H](C(=O)[O-])c1ccccc1F)CC2 ZINC001589992389 988901923 /nfs/dbraw/zinc/90/19/23/988901923.db2.gz SODSDDJLWQIKSY-MRXNPFEDSA-N -1 3 378.444 3.427 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(Cc1ccc(C(=O)[O-])cn1)C2 ZINC001590002652 988920670 /nfs/dbraw/zinc/92/06/70/988920670.db2.gz BWWWOGDRQISUBZ-NRFANRHFSA-N -1 3 389.496 3.393 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cncc(C(=O)[O-])c3)CC2)CC1 ZINC001590003250 988928371 /nfs/dbraw/zinc/92/83/71/988928371.db2.gz JHDXVNWJJJDXHA-UHFFFAOYSA-N -1 3 389.496 3.393 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(Cc1cncc(C(=O)[O-])c1)C2 ZINC001590004363 988941731 /nfs/dbraw/zinc/94/17/31/988941731.db2.gz PDXJQHDMWBEBBL-OAQYLSRUSA-N -1 3 389.496 3.393 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(Cc1cncc(C(=O)[O-])c1)C2 ZINC001590004360 988941826 /nfs/dbraw/zinc/94/18/26/988941826.db2.gz PDXJQHDMWBEBBL-NRFANRHFSA-N -1 3 389.496 3.393 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(/C=C\C(=O)[O-])o3)CC[C@@H]21 ZINC001590004616 988943789 /nfs/dbraw/zinc/94/37/89/988943789.db2.gz LWUYPKUJIUMTPA-FRAJWHGFSA-N -1 3 376.453 3.209 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004967 988946411 /nfs/dbraw/zinc/94/64/11/988946411.db2.gz NFLUCVMFPZBMLM-YOEHRIQHSA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004965 988947041 /nfs/dbraw/zinc/94/70/41/988947041.db2.gz NFLUCVMFPZBMLM-RHSMWYFYSA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN([C@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024485 989010712 /nfs/dbraw/zinc/01/07/12/989010712.db2.gz AAICOKPILCDBJT-OXJNMPFZSA-N -1 3 375.469 3.073 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NCc1cc(C(=O)[O-])co1 ZINC001590024807 989012670 /nfs/dbraw/zinc/01/26/70/989012670.db2.gz DGVPJDUWEMYYHY-OWCLPIDISA-N -1 3 378.469 3.492 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc3c(c2)CCCC3)[C@@H](C(=O)[O-])C1 ZINC001590035454 989058925 /nfs/dbraw/zinc/05/89/25/989058925.db2.gz SZDMKWNRPZYIIU-LJQANCHMSA-N -1 3 388.508 3.461 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590042019 989070766 /nfs/dbraw/zinc/07/07/66/989070766.db2.gz DAXATGDEEPXMOY-QWHCGFSZSA-N -1 3 381.498 3.030 20 0 GGADHM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597736247 989086132 /nfs/dbraw/zinc/08/61/32/989086132.db2.gz ZRTSPYHNVAAUEG-GPCCPHFNSA-N -1 3 396.900 3.133 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2c(CNCc3c[nH]c(C(=O)[O-])c3)cccc2C1 ZINC001590082339 989182328 /nfs/dbraw/zinc/18/23/28/989182328.db2.gz FCCSWBXVVIVFKE-UHFFFAOYSA-N -1 3 385.464 3.296 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001597763213 989203454 /nfs/dbraw/zinc/20/34/54/989203454.db2.gz SHDMWSZFCRWDFD-FQEVSTJZSA-N -1 3 378.469 3.373 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2ccoc2C(=O)[O-])C1 ZINC001590091588 989208724 /nfs/dbraw/zinc/20/87/24/989208724.db2.gz NJBNTUGHXNHQCT-DLBZAZTESA-N -1 3 386.448 3.471 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001599864677 989225865 /nfs/dbraw/zinc/22/58/65/989225865.db2.gz DASKWRJRHAJTAY-MRXNPFEDSA-N -1 3 384.476 3.330 20 0 GGADHM CCc1oc(C(=O)OC)cc1CN1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597791613 989323479 /nfs/dbraw/zinc/32/34/79/989323479.db2.gz SDVHTMMSVCSJIU-NSHDSACASA-N -1 3 378.450 3.163 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2ccc(/C=C/C(=O)[O-])o2)C12CCC2 ZINC001590139606 989402125 /nfs/dbraw/zinc/40/21/25/989402125.db2.gz NSKANYMUCFDCOI-XLBHYRNJSA-N -1 3 376.453 3.303 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2ccc(/C=C/C(=O)[O-])o2)C12CCC2 ZINC001590139605 989402155 /nfs/dbraw/zinc/40/21/55/989402155.db2.gz NSKANYMUCFDCOI-APPUJDCNSA-N -1 3 376.453 3.303 20 0 GGADHM CCc1oc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C(=O)[O-] ZINC001597803031 989404215 /nfs/dbraw/zinc/40/42/15/989404215.db2.gz YHJYMOSTGNLVSL-AWEZNQCLSA-N -1 3 384.411 3.042 20 0 GGADHM CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2CCOc1ccccc1C(=O)[O-] ZINC001590169987 989493972 /nfs/dbraw/zinc/49/39/72/989493972.db2.gz OMCJWURPTAYCFO-QVKFZJNVSA-N -1 3 390.480 3.143 20 0 GGADHM CC(C)(C)OC(=O)NCCCOC1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001590195421 989557223 /nfs/dbraw/zinc/55/72/23/989557223.db2.gz YUDQYFRVRPFDKR-UHFFFAOYSA-N -1 3 398.525 3.342 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001590263048 989654624 /nfs/dbraw/zinc/65/46/24/989654624.db2.gz CPMINTSJNJBJPH-ZIAGYGMSSA-N -1 3 388.386 3.430 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN([C@H](C(=O)[O-])c2cccnc2)C[C@H]1c1ccccc1 ZINC001590267335 989661773 /nfs/dbraw/zinc/66/17/73/989661773.db2.gz AOYVNAZURYJUSY-OTWHNJEPSA-N -1 3 397.475 3.200 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3F)C[C@]2(C(=O)[O-])C1 ZINC001590295905 989713947 /nfs/dbraw/zinc/71/39/47/989713947.db2.gz CLTSQZGONHLFGA-IAMHBRQHSA-N -1 3 396.434 3.155 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C12CCC2 ZINC001590379132 989885976 /nfs/dbraw/zinc/88/59/76/989885976.db2.gz NIUSYAPULSJCBF-SOUVJXGZSA-N -1 3 392.521 3.268 20 0 GGADHM CC(C)(C)c1nc2cc(NC(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)ccc2o1 ZINC001590545945 990186325 /nfs/dbraw/zinc/18/63/25/990186325.db2.gz XAOCKAJODFGHIQ-UHFFFAOYSA-N -1 3 388.468 3.138 20 0 GGADHM CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001598111536 990509821 /nfs/dbraw/zinc/50/98/21/990509821.db2.gz ZGBSMSDFALQCTM-UHFFFAOYSA-N -1 3 396.534 3.094 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598169429 990689246 /nfs/dbraw/zinc/68/92/46/990689246.db2.gz AAFCEVOMGDHJGO-CQSZACIVSA-N -1 3 393.846 3.472 20 0 GGADHM CC(C)(NC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cc(C(=O)[O-])on1 ZINC001590871363 990777912 /nfs/dbraw/zinc/77/79/12/990777912.db2.gz OOTKCRKORVPRGU-XHDPSFHLSA-N -1 3 384.354 3.380 20 0 GGADHM CN(C)C[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598200857 990818225 /nfs/dbraw/zinc/81/82/25/990818225.db2.gz SXADTRDJDKRGOC-SFHVURJKSA-N -1 3 389.883 3.183 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598202578 990824462 /nfs/dbraw/zinc/82/44/62/990824462.db2.gz HXRISHCKAZEQDI-QGZVFWFLSA-N -1 3 375.856 3.392 20 0 GGADHM CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598210527 990849184 /nfs/dbraw/zinc/84/91/84/990849184.db2.gz DVLKZLRDILTMFM-KRWDZBQOSA-N -1 3 391.471 3.249 20 0 GGADHM CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598211460 990855344 /nfs/dbraw/zinc/85/53/44/990855344.db2.gz VHTAFYDWUHVMPJ-CQSZACIVSA-N -1 3 395.887 3.145 20 0 GGADHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001598225807 990918631 /nfs/dbraw/zinc/91/86/31/990918631.db2.gz XOGFNACESDOUBL-HNNXBMFYSA-N -1 3 385.464 3.113 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001598225757 990918659 /nfs/dbraw/zinc/91/86/59/990918659.db2.gz VGKHGEYNNFRTHN-UHFFFAOYSA-N -1 3 391.418 3.301 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001598228292 990920006 /nfs/dbraw/zinc/92/00/06/990920006.db2.gz BZABXXSVHKWKAU-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCCC(=O)[O-] ZINC001598228321 990921415 /nfs/dbraw/zinc/92/14/15/990921415.db2.gz FUZUTSRHJRIHCT-UHFFFAOYSA-N -1 3 389.418 3.034 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001598228627 990922237 /nfs/dbraw/zinc/92/22/37/990922237.db2.gz NCPCAIOELXODHF-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001598228601 990922529 /nfs/dbraw/zinc/92/25/29/990922529.db2.gz LLCWMQGHSYIWLR-UHFFFAOYSA-N -1 3 390.430 3.186 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598229622 990929231 /nfs/dbraw/zinc/92/92/31/990929231.db2.gz RBNMUVVMFGOWNE-UHFFFAOYSA-N -1 3 383.807 3.366 20 0 GGADHM CN(C)Cc1ccc(-c2noc(-c3cc(C(=O)[O-])nn3-c3ccccc3)n2)cc1 ZINC001598248732 991023189 /nfs/dbraw/zinc/02/31/89/991023189.db2.gz JKKCZBFONOWZSG-UHFFFAOYSA-N -1 3 389.415 3.349 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001590980575 991132584 /nfs/dbraw/zinc/13/25/84/991132584.db2.gz HTIZNMNPCYDPGR-NRFANRHFSA-N -1 3 397.519 3.270 20 0 GGADHM CC(C)[C@@H](CNC(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001590982450 991151220 /nfs/dbraw/zinc/15/12/20/991151220.db2.gz ODHTYZOXFGYTLY-BHIFYINESA-N -1 3 394.515 3.343 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001598298899 991235106 /nfs/dbraw/zinc/23/51/06/991235106.db2.gz QODGBLOOAQLQNY-IBGZPJMESA-N -1 3 396.491 3.409 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591008431 991276405 /nfs/dbraw/zinc/27/64/05/991276405.db2.gz YNRFNIKIMNFZDE-IEBWSBKVSA-N -1 3 389.540 3.339 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591008432 991277343 /nfs/dbraw/zinc/27/73/43/991277343.db2.gz YNRFNIKIMNFZDE-MJGOQNOKSA-N -1 3 389.540 3.339 20 0 GGADHM COc1ccccc1N1CC[C@H](N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC001599713426 991410180 /nfs/dbraw/zinc/41/01/80/991410180.db2.gz IXIDWGYCVASHJB-APWZRJJASA-N -1 3 382.460 3.023 20 0 GGADHM COc1ccccc1N1CC[C@@H](N(Cc2ccccc2)C[C@H](C)C(=O)[O-])C1=O ZINC001599713433 991410634 /nfs/dbraw/zinc/41/06/34/991410634.db2.gz IXIDWGYCVASHJB-QFBILLFUSA-N -1 3 382.460 3.023 20 0 GGADHM COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001599716021 991456709 /nfs/dbraw/zinc/45/67/09/991456709.db2.gz XTQNCFHRDIVLKO-QGZVFWFLSA-N -1 3 398.459 3.009 20 0 GGADHM CN(C)c1ncc(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])c2ccccc21 ZINC001598353786 991460160 /nfs/dbraw/zinc/46/01/60/991460160.db2.gz LNNOUDZVGOEXKO-HXUWFJFHSA-N -1 3 377.444 3.321 20 0 GGADHM CN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C(C)(C)CC(=O)[O-] ZINC001598379164 991572971 /nfs/dbraw/zinc/57/29/71/991572971.db2.gz NPJJSPABAYHPGM-UHFFFAOYSA-N -1 3 386.414 3.382 20 0 GGADHM CN(CC(F)F)C1CCN([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC001598430060 991789549 /nfs/dbraw/zinc/78/95/49/991789549.db2.gz BIPZMPGIMVDRHN-HNNXBMFYSA-N -1 3 391.256 3.236 20 0 GGADHM CN(C[C@@H](O)Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598436135 991826105 /nfs/dbraw/zinc/82/61/05/991826105.db2.gz CCWYJUWRBJQUHZ-GUYCJALGSA-N -1 3 387.785 3.418 20 0 GGADHM COc1nsc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1C(=O)[O-] ZINC001599739661 991828516 /nfs/dbraw/zinc/82/85/16/991828516.db2.gz AVTLAUYCQLKSRK-CYBMUJFWSA-N -1 3 399.476 3.015 20 0 GGADHM COc1nsc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1C(=O)[O-] ZINC001599739662 991828826 /nfs/dbraw/zinc/82/88/26/991828826.db2.gz AVTLAUYCQLKSRK-ZDUSSCGKSA-N -1 3 399.476 3.015 20 0 GGADHM COc1nsc(CN2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC001599740273 991839354 /nfs/dbraw/zinc/83/93/54/991839354.db2.gz MAWCIANKISWVOK-LBPRGKRZSA-N -1 3 384.498 3.184 20 0 GGADHM COc1nsc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740301 991839617 /nfs/dbraw/zinc/83/96/17/991839617.db2.gz NMJNAQAUMJKKGF-KGLIPLIRSA-N -1 3 380.441 3.077 20 0 GGADHM CN(C[C@@H](O)c1cccc(Br)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC001598437290 991843150 /nfs/dbraw/zinc/84/31/50/991843150.db2.gz QDDAQUOLDOXSAF-CVEARBPZSA-N -1 3 382.229 3.379 20 0 GGADHM COc1nsc(CN(CC(C)C)C[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740642 991848118 /nfs/dbraw/zinc/84/81/18/991848118.db2.gz AKOUMIQKABNWBD-AWEZNQCLSA-N -1 3 382.457 3.181 20 0 GGADHM COc1nsc(CNCCOCc2ccc(Cl)cc2Cl)c1C(=O)[O-] ZINC001599743361 991893714 /nfs/dbraw/zinc/89/37/14/991893714.db2.gz WWPZFOVBNLLLJP-UHFFFAOYSA-N -1 3 391.276 3.463 20 0 GGADHM CN(CC1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1)C(=O)OC(C)(C)C ZINC001598463329 991970315 /nfs/dbraw/zinc/97/03/15/991970315.db2.gz XOEKHHVTUIAQRU-FPLPWBNLSA-N -1 3 378.469 3.456 20 0 GGADHM CC(C)C[C@@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591178925 991979011 /nfs/dbraw/zinc/97/90/11/991979011.db2.gz YJLAUZCHIBJTDC-NVXWUHKLSA-N -1 3 381.904 3.085 20 0 GGADHM CC(C)C[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591178926 991979255 /nfs/dbraw/zinc/97/92/55/991979255.db2.gz YJLAUZCHIBJTDC-RDJZCZTQSA-N -1 3 381.904 3.085 20 0 GGADHM CN(CCC(=O)Nc1cccnc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598469388 992000367 /nfs/dbraw/zinc/00/03/67/992000367.db2.gz FJBCGHRJCNXFEH-MRXNPFEDSA-N -1 3 382.247 3.475 20 0 GGADHM CN(CC[C@H]1CCCCN1Cc1cccc(C(=O)[O-])n1)C(=O)OC(C)(C)C ZINC001598472463 992049499 /nfs/dbraw/zinc/04/94/99/992049499.db2.gz RBFGSIRIQHCANS-MRXNPFEDSA-N -1 3 377.485 3.391 20 0 GGADHM CC(C)CC[C@@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591221782 992089586 /nfs/dbraw/zinc/08/95/86/992089586.db2.gz OOHYAODHKNNZDF-SJLPKXTDSA-N -1 3 395.931 3.475 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC001598476914 992093738 /nfs/dbraw/zinc/09/37/38/992093738.db2.gz BBAFIVAMBMTMFN-UHFFFAOYSA-N -1 3 388.468 3.030 20 0 GGADHM CN(CCCNCc1ccc(C(=O)[O-])cc1Br)CC(F)(F)F ZINC001598481605 992160275 /nfs/dbraw/zinc/16/02/75/992160275.db2.gz VNOLRBNUSZBYMG-UHFFFAOYSA-N -1 3 383.208 3.121 20 0 GGADHM CC(C)CCn1ncc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1C(C)C ZINC001591276090 992198139 /nfs/dbraw/zinc/19/81/39/992198139.db2.gz CCZREYFXKVPMAH-UHFFFAOYSA-N -1 3 393.532 3.065 20 0 GGADHM C[S@](=O)C[C@H](NCCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001599775349 992294648 /nfs/dbraw/zinc/29/46/48/992294648.db2.gz MQDOUGFJQDUIDL-LMKMVOKYSA-N -1 3 381.881 3.126 20 0 GGADHM CN(CCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598492969 992328390 /nfs/dbraw/zinc/32/83/90/992328390.db2.gz VGGQSDBLAOQHEM-ZDUSSCGKSA-N -1 3 376.375 3.288 20 0 GGADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001598498598 992398414 /nfs/dbraw/zinc/39/84/14/992398414.db2.gz CTZJADHBGXETKH-AWNIVKPZSA-N -1 3 394.471 3.187 20 0 GGADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)CCc1nccc(C(F)(F)F)n1 ZINC001598498780 992400039 /nfs/dbraw/zinc/40/00/39/992400039.db2.gz OCYHXSGKOGJLHO-QPJJXVBHSA-N -1 3 395.381 3.147 20 0 GGADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001598498896 992402885 /nfs/dbraw/zinc/40/28/85/992402885.db2.gz VJEOAGBEPNCARQ-JEJOPICUSA-N -1 3 390.480 3.104 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001598503227 992463487 /nfs/dbraw/zinc/46/34/87/992463487.db2.gz HOCLUTFQLGEKMN-LJQANCHMSA-N -1 3 396.491 3.227 20 0 GGADHM CN(CCn1cc(Cl)cn1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598503982 992475564 /nfs/dbraw/zinc/47/55/64/992475564.db2.gz NOOOBUHXDOARJS-LLVKDONJSA-N -1 3 378.679 3.118 20 0 GGADHM CN(CCn1cc(Br)cn1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598504094 992477825 /nfs/dbraw/zinc/47/78/25/992477825.db2.gz QJURBHXEKQXUPR-UHFFFAOYSA-N -1 3 389.253 3.024 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001598506194 992506078 /nfs/dbraw/zinc/50/60/78/992506078.db2.gz YRAIMUAGVCNKLS-DCGLDWPTSA-N -1 3 382.863 3.013 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001598511667 992572404 /nfs/dbraw/zinc/57/24/04/992572404.db2.gz UKKSLQAHSZNEAU-HXUWFJFHSA-N -1 3 381.476 3.363 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001598511764 992573410 /nfs/dbraw/zinc/57/34/10/992573410.db2.gz ZMDXVNGESCVOLG-FQEVSTJZSA-N -1 3 381.476 3.363 20 0 GGADHM CC(C)N(C)Cc1cc(O[C@H]2CCN([C@H](C(=O)[O-])c3ccsc3)C2)ccn1 ZINC001591555956 992750878 /nfs/dbraw/zinc/75/08/78/992750878.db2.gz PLPXRKPVRHKKJP-OALUTQOASA-N -1 3 389.521 3.262 20 0 GGADHM CN(Cc1ccnc2c(C(=O)[O-])cccc12)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001598531382 992785180 /nfs/dbraw/zinc/78/51/80/992785180.db2.gz MVQHBGUSNLHRBO-QGZVFWFLSA-N -1 3 391.427 3.390 20 0 GGADHM CN1C(=O)Cc2cc(CN[C@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)ccc21 ZINC001598551400 993007632 /nfs/dbraw/zinc/00/76/32/993007632.db2.gz JEANTXIVYJXJJC-KRWDZBQOSA-N -1 3 378.350 3.140 20 0 GGADHM CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001598574981 993260715 /nfs/dbraw/zinc/26/07/15/993260715.db2.gz MXBCAVMYKBVSGV-FZMZJTMJSA-N -1 3 383.901 3.075 20 0 GGADHM CN(C(=O)c1ccc(NCc2cc(C(=O)[O-])cs2)cc1)[C@@H]1CCCN(C)C1 ZINC001598596702 993516206 /nfs/dbraw/zinc/51/62/06/993516206.db2.gz RAUIGCXURXFICW-QGZVFWFLSA-N -1 3 387.505 3.225 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC001593061598 993569109 /nfs/dbraw/zinc/56/91/09/993569109.db2.gz BWRZFLZMOXRBIX-LLVKDONJSA-N -1 3 388.295 3.245 20 0 GGADHM C[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@@H](c1ccccc1)N(C)C ZINC001593069901 993614265 /nfs/dbraw/zinc/61/42/65/993614265.db2.gz LLJYXSIWKXIJEU-YWZLYKJASA-N -1 3 381.476 3.144 20 0 GGADHM COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C(=O)[O-])cc2F)c(OC)c1 ZINC001599589414 993657833 /nfs/dbraw/zinc/65/78/33/993657833.db2.gz HLKXIDSSJVWXPA-GFCCVEGCSA-N -1 3 390.411 3.048 20 0 GGADHM COc1ccc(NC(=O)C[C@H](C)NCc2ccc(C(=O)[O-])cc2F)c(OC)c1 ZINC001599589416 993658168 /nfs/dbraw/zinc/65/81/68/993658168.db2.gz HLKXIDSSJVWXPA-LBPRGKRZSA-N -1 3 390.411 3.048 20 0 GGADHM CN1CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)C[C@@H](C(=O)[O-])C1 ZINC001598606072 993659860 /nfs/dbraw/zinc/65/98/60/993659860.db2.gz SHRBJMYCWGJJIA-AWEZNQCLSA-N -1 3 387.307 3.181 20 0 GGADHM CN1CCN(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598606130 993661336 /nfs/dbraw/zinc/66/13/36/993661336.db2.gz GTTILTNHTHFXDE-CEXWTWQISA-N -1 3 387.524 3.007 20 0 GGADHM CN1CCN(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598606132 993661567 /nfs/dbraw/zinc/66/15/67/993661567.db2.gz GTTILTNHTHFXDE-GUDVDZBRSA-N -1 3 387.524 3.007 20 0 GGADHM COc1ccc(NC(=O)CCN2CCc3cc(C(=O)[O-])ccc3C2)cc1Cl ZINC001599589729 993663108 /nfs/dbraw/zinc/66/31/08/993663108.db2.gz MPAWSNVERDNRIY-UHFFFAOYSA-N -1 3 388.851 3.434 20 0 GGADHM COc1ccc(NC(=O)CCN2CCc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC001599590430 993673989 /nfs/dbraw/zinc/67/39/89/993673989.db2.gz WWUBCFIOYITMNC-UHFFFAOYSA-N -1 3 388.851 3.434 20 0 GGADHM CN1CCN(C(=O)Nc2cccc(Oc3ccccc3F)c2)C[C@H](C(=O)[O-])C1 ZINC001598608493 993720898 /nfs/dbraw/zinc/72/08/98/993720898.db2.gz JFSIFXQCYZNWTD-CQSZACIVSA-N -1 3 387.411 3.098 20 0 GGADHM CN1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)C[C@H](C(=O)[O-])C1 ZINC001598609104 993732784 /nfs/dbraw/zinc/73/27/84/993732784.db2.gz OBLVIVVIFQNACN-QGZVFWFLSA-N -1 3 389.496 3.016 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC001593113306 993790941 /nfs/dbraw/zinc/79/09/41/993790941.db2.gz UVMPYDMUDUGIQL-DIFFPNOSSA-N -1 3 377.391 3.476 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@H](c1ccccc1)N(C)C ZINC001593113308 993790960 /nfs/dbraw/zinc/79/09/60/993790960.db2.gz UVMPYDMUDUGIQL-PIGZYNQJSA-N -1 3 377.391 3.476 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1=CCN(C)CC1 ZINC001593116082 993804448 /nfs/dbraw/zinc/80/44/48/993804448.db2.gz VKHHGANQIUQRTD-AWEZNQCLSA-N -1 3 383.448 3.075 20 0 GGADHM C[C@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@@H](c1ccccc1)N(C)C ZINC001593124083 993848771 /nfs/dbraw/zinc/84/87/71/993848771.db2.gz NVADMIVIKJGAFB-WFASDCNBSA-N -1 3 390.509 3.318 20 0 GGADHM COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599604698 993868684 /nfs/dbraw/zinc/86/86/84/993868684.db2.gz NKVCGRWWPWYWBF-LBPRGKRZSA-N -1 3 390.411 3.048 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001593131773 993884609 /nfs/dbraw/zinc/88/46/09/993884609.db2.gz RQHJROQMOOQFQW-MAUKXSAKSA-N -1 3 392.496 3.418 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618511 993943787 /nfs/dbraw/zinc/94/37/87/993943787.db2.gz JRDALBUHQNOMPV-VZOQVYJPSA-N -1 3 380.488 3.022 20 0 GGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194461 994135243 /nfs/dbraw/zinc/13/52/43/994135243.db2.gz HNMQGQGVSGDCRS-KUHUBIRLSA-N -1 3 376.416 3.205 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C(=O)NCc1ccc(Cl)cc1 ZINC001593195780 994150114 /nfs/dbraw/zinc/15/01/14/994150114.db2.gz FPMWPBRVJKWMJE-KBPBESRZSA-N -1 3 390.867 3.159 20 0 GGADHM C[C@H](N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1OCC(=O)[O-] ZINC001593198460 994171343 /nfs/dbraw/zinc/17/13/43/994171343.db2.gz RISPWEOHVDQUMC-NPPFBWRTSA-N -1 3 398.503 3.090 20 0 GGADHM C[C@@H](NC(C)(C)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001593198504 994173498 /nfs/dbraw/zinc/17/34/98/994173498.db2.gz RUBUGRMDZMZLJF-MRXNPFEDSA-N -1 3 396.553 3.070 20 0 GGADHM C[C@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593217894 994278853 /nfs/dbraw/zinc/27/88/53/994278853.db2.gz DGMVZIMJDXLNFD-NSHDSACASA-N -1 3 381.448 3.435 20 0 GGADHM C[C@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001593218292 994283468 /nfs/dbraw/zinc/28/34/68/994283468.db2.gz GUXJUVFKPLFJTC-SQWLQELKSA-N -1 3 392.500 3.184 20 0 GGADHM C[C@H](N[C@@H]1CC[C@@H](C(=O)[O-])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001593221212 994322150 /nfs/dbraw/zinc/32/21/50/994322150.db2.gz YHWZODUFAGORJU-UFGOTCBOSA-N -1 3 380.242 3.403 20 0 GGADHM COc1cccc(-c2n[nH]cc2CN(C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC001599640082 994345365 /nfs/dbraw/zinc/34/53/65/994345365.db2.gz GAJZADKWVUNXBB-UHFFFAOYSA-N -1 3 381.432 3.181 20 0 GGADHM COc1cccc(-c2csc(CNCCc3ncc(C(=O)[O-])s3)n2)c1 ZINC001599640102 994345516 /nfs/dbraw/zinc/34/55/16/994345516.db2.gz HEVCQNDHBDNRFK-UHFFFAOYSA-N -1 3 375.475 3.306 20 0 GGADHM COc1cccc(C(=O)[O-])c1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001599644580 994406975 /nfs/dbraw/zinc/40/69/75/994406975.db2.gz JVJYFXKXBGXYIY-LLVKDONJSA-N -1 3 381.354 3.192 20 0 GGADHM COc1cccc(C(=O)[O-])c1N(C)C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001599645728 994421776 /nfs/dbraw/zinc/42/17/76/994421776.db2.gz LSWAHEXEEZTOLG-PWSUYJOCSA-N -1 3 375.343 3.104 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650783 994495175 /nfs/dbraw/zinc/49/51/75/994495175.db2.gz OAAXGUZWENQIFK-NVXWUHKLSA-N -1 3 378.469 3.152 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])[N@H+](C)Cc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC001599651068 994499717 /nfs/dbraw/zinc/49/97/17/994499717.db2.gz RJNIGAPEIICYFO-IBGZPJMESA-N -1 3 383.400 3.073 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC001599651068 994499723 /nfs/dbraw/zinc/49/97/23/994499723.db2.gz RJNIGAPEIICYFO-IBGZPJMESA-N -1 3 383.400 3.073 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])NCC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC001599652449 994525973 /nfs/dbraw/zinc/52/59/73/994525973.db2.gz LKPNPPABYFHTJN-KSFYIVLOSA-N -1 3 384.476 3.194 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC001599653862 994547192 /nfs/dbraw/zinc/54/71/92/994547192.db2.gz ZYUVZQNHJQTLKX-NFBKMPQASA-N -1 3 396.487 3.166 20 0 GGADHM C[C@@H](NCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(C(=O)[O-])co1 ZINC001593267028 994583767 /nfs/dbraw/zinc/58/37/67/994583767.db2.gz JAMPWCKQIVJQRR-CQSZACIVSA-N -1 3 377.872 3.104 20 0 GGADHM COc1cccc([C@@H](O)C2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)c1 ZINC001599659785 994638365 /nfs/dbraw/zinc/63/83/65/994638365.db2.gz NBUGIDIXSGSKRB-AOMKIAJQSA-N -1 3 399.487 3.493 20 0 GGADHM COc1cccc([C@@H](O)CN(Cc2c[nH]c(C(=O)[O-])c2)Cc2ccccc2)c1 ZINC001599659843 994639573 /nfs/dbraw/zinc/63/95/73/994639573.db2.gz OHHWIHFDDLQEHH-NRFANRHFSA-N -1 3 380.444 3.457 20 0 GGADHM COc1cccc([C@@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])c1 ZINC001599660316 994645470 /nfs/dbraw/zinc/64/54/70/994645470.db2.gz SXRLIJQGJAGAKV-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM COc1cccc([C@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])c1 ZINC001599660315 994645525 /nfs/dbraw/zinc/64/55/25/994645525.db2.gz SXRLIJQGJAGAKV-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM C[C@H](NCc1cc(C(=O)[O-])cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593289365 994661949 /nfs/dbraw/zinc/66/19/49/994661949.db2.gz RBFJOQWOTYTADL-ZDUSSCGKSA-N -1 3 377.485 3.188 20 0 GGADHM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593289364 994662468 /nfs/dbraw/zinc/66/24/68/994662468.db2.gz RBFJOQWOTYTADL-CYBMUJFWSA-N -1 3 377.485 3.188 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593291863 994672230 /nfs/dbraw/zinc/67/22/30/994672230.db2.gz DJBQNJMOFZZOJA-MRXNPFEDSA-N -1 3 382.460 3.237 20 0 GGADHM C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593298304 994712162 /nfs/dbraw/zinc/71/21/62/994712162.db2.gz HUWYHHBULKCWRX-LBPRGKRZSA-N -1 3 384.354 3.337 20 0 GGADHM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 ZINC001593299154 994721195 /nfs/dbraw/zinc/72/11/95/994721195.db2.gz QYDYTEJYHAWXOP-HNNXBMFYSA-N -1 3 384.432 3.348 20 0 GGADHM C[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 ZINC001593299156 994721834 /nfs/dbraw/zinc/72/18/34/994721834.db2.gz QYDYTEJYHAWXOP-OAHLLOKOSA-N -1 3 384.432 3.348 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001599670621 994804913 /nfs/dbraw/zinc/80/49/13/994804913.db2.gz CQWDAEKVNAMJDR-UHFFFAOYSA-N -1 3 385.464 3.298 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001599671041 994812006 /nfs/dbraw/zinc/81/20/06/994812006.db2.gz WCSYLZJELDKKJQ-UHFFFAOYSA-N -1 3 377.466 3.051 20 0 GGADHM COc1cccc(NC(=O)C[C@H](C)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC001599679550 994956547 /nfs/dbraw/zinc/95/65/47/994956547.db2.gz YRGCVHXMAWPHNE-ZDUSSCGKSA-N -1 3 383.448 3.173 20 0 GGADHM C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1OCC(=O)[O-] ZINC001593354430 994991173 /nfs/dbraw/zinc/99/11/73/994991173.db2.gz PQZCIQZQEIBTIE-OFQRWUPVSA-N -1 3 378.469 3.199 20 0 GGADHM COC(=O)[C@H](C)Oc1ccccc1CN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001598690481 995057350 /nfs/dbraw/zinc/05/73/50/995057350.db2.gz JRSVICUEALQILC-AWEZNQCLSA-N -1 3 391.851 3.367 20 0 GGADHM C[C@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1ccc(F)cc1 ZINC001593410640 995182964 /nfs/dbraw/zinc/18/29/64/995182964.db2.gz FZUVUTVDQTUUKU-KRWDZBQOSA-N -1 3 382.229 3.284 20 0 GGADHM C[C@@H](O)[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441465 995294043 /nfs/dbraw/zinc/29/40/43/995294043.db2.gz GVISLHPUFZGREZ-MNOVXSKESA-N -1 3 384.263 3.080 20 0 GGADHM C[C@@H](O)[C@@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441463 995294343 /nfs/dbraw/zinc/29/43/43/995294343.db2.gz GVISLHPUFZGREZ-GHMZBOCLSA-N -1 3 384.263 3.080 20 0 GGADHM C[C@H](O)[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441467 995295509 /nfs/dbraw/zinc/29/55/09/995295509.db2.gz GVISLHPUFZGREZ-QWRGUYRKSA-N -1 3 384.263 3.080 20 0 GGADHM COC(=O)[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC001598707304 995303892 /nfs/dbraw/zinc/30/38/92/995303892.db2.gz DGTAYXUNYKQYHH-PMACEKPBSA-N -1 3 382.460 3.026 20 0 GGADHM COC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717262 995426810 /nfs/dbraw/zinc/42/68/10/995426810.db2.gz GQNGCBSIPNQMJO-SMDDNHRTSA-N -1 3 399.287 3.259 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C)(C(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC001593616039 995843151 /nfs/dbraw/zinc/84/31/51/995843151.db2.gz PGLGJCSQNOYTIS-HNNXBMFYSA-N -1 3 377.481 3.482 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC001593616386 995847586 /nfs/dbraw/zinc/84/75/86/995847586.db2.gz YWDSOMXQEUKGDU-OAHLLOKOSA-N -1 3 392.496 3.418 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(CC(=O)NC2CCCC2)CC1)C(=O)[O-] ZINC001593644733 995965161 /nfs/dbraw/zinc/96/51/61/995965161.db2.gz MHQAWPZBTBTPMB-MRXNPFEDSA-N -1 3 388.508 3.199 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644804 995966721 /nfs/dbraw/zinc/96/67/21/995966721.db2.gz NAMUMWRKKSQKOB-GXTWGEPZSA-N -1 3 395.381 3.337 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(CO)(Cc2ccccc2)CC1)C(=O)[O-] ZINC001593644998 995968952 /nfs/dbraw/zinc/96/89/52/995968952.db2.gz OETGXNUWYJLZRH-SFHVURJKSA-N -1 3 383.488 3.356 20 0 GGADHM C[C@H](Oc1ccccc1CNC[C@@H](c1c(F)cccc1F)N(C)C)C(=O)[O-] ZINC001593645293 995972693 /nfs/dbraw/zinc/97/26/93/995972693.db2.gz IQPIKTWIZVEBSV-GUYCJALGSA-N -1 3 378.419 3.209 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(C(=O)Nc2ccccc2O)CC1)C(=O)[O-] ZINC001593646062 995979559 /nfs/dbraw/zinc/97/95/59/995979559.db2.gz UZIWCGHWHXYGQH-HNNXBMFYSA-N -1 3 398.459 3.095 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(C(=O)Nc2ccccc2O)CC1)C(=O)[O-] ZINC001593646066 995979946 /nfs/dbraw/zinc/97/99/46/995979946.db2.gz UZIWCGHWHXYGQH-OAHLLOKOSA-N -1 3 398.459 3.095 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646186 995981388 /nfs/dbraw/zinc/98/13/88/995981388.db2.gz PFSHMBGCARTNPK-KRWDZBQOSA-N -1 3 386.467 3.386 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646187 995981441 /nfs/dbraw/zinc/98/14/41/995981441.db2.gz PFSHMBGCARTNPK-QGZVFWFLSA-N -1 3 386.467 3.386 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(OC[C@@H]2CCCCO2)CC1)C(=O)[O-] ZINC001593646279 995981933 /nfs/dbraw/zinc/98/19/33/995981933.db2.gz WHQISLFBIARKKN-APWZRJJASA-N -1 3 377.481 3.089 20 0 GGADHM CC(C)[C@@H](CNCc1ccccc1O[C@H](C)C(=O)[O-])ONC(=O)OC(C)(C)C ZINC001593646981 995991280 /nfs/dbraw/zinc/99/12/80/995991280.db2.gz YHNQTBGVDFGVOR-RHSMWYFYSA-N -1 3 396.484 3.109 20 0 GGADHM C[C@@H](Oc1ccccc1CNCc1cc(N(C)C)nc2ccccc12)C(=O)[O-] ZINC001593647837 995993575 /nfs/dbraw/zinc/99/35/75/995993575.db2.gz CAHIVQNRCXOPAY-OAHLLOKOSA-N -1 3 379.460 3.443 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)N1CCN(C2CCCC2)[C@H](C)C1)C(=O)[O-] ZINC001593669091 996069059 /nfs/dbraw/zinc/06/90/59/996069059.db2.gz OXNNECHUKMUCMU-HUUCEWRRSA-N -1 3 376.522 3.341 20 0 GGADHM COC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598790590 996069217 /nfs/dbraw/zinc/06/92/17/996069217.db2.gz LJJHNJVXFHPUJV-MOPGFXCFSA-N -1 3 383.444 3.395 20 0 GGADHM COC(=O)[C@@H]1CCN(CCSc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC001598798291 996122838 /nfs/dbraw/zinc/12/28/38/996122838.db2.gz DRRDSYBRMVBMIR-ZWNOBZJWSA-N -1 3 392.304 3.424 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689297 996131986 /nfs/dbraw/zinc/13/19/86/996131986.db2.gz GACLUMPDTDJWKM-NEPJUHHUSA-N -1 3 377.828 3.438 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689303 996132108 /nfs/dbraw/zinc/13/21/08/996132108.db2.gz GACLUMPDTDJWKM-VXGBXAGGSA-N -1 3 377.828 3.438 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001593690134 996135089 /nfs/dbraw/zinc/13/50/89/996135089.db2.gz NZDLGVVNZZJEAE-QWRGUYRKSA-N -1 3 380.242 3.471 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001593690132 996135182 /nfs/dbraw/zinc/13/51/82/996135182.db2.gz NZDLGVVNZZJEAE-GHMZBOCLSA-N -1 3 380.242 3.471 20 0 GGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593693115 996142432 /nfs/dbraw/zinc/14/24/32/996142432.db2.gz JJJGTQXYKTYVGQ-ZUOKHONESA-N -1 3 382.451 3.497 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001598802201 996148513 /nfs/dbraw/zinc/14/85/13/996148513.db2.gz FRDWGXJLTMVESG-HNAYVOBHSA-N -1 3 383.444 3.347 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC001598802200 996148597 /nfs/dbraw/zinc/14/85/97/996148597.db2.gz FRDWGXJLTMVESG-DNVCBOLYSA-N -1 3 383.444 3.347 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001598804140 996167931 /nfs/dbraw/zinc/16/79/31/996167931.db2.gz QOKBSCDVXWVUFK-YPMHNXCESA-N -1 3 377.384 3.137 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001598804138 996168090 /nfs/dbraw/zinc/16/80/90/996168090.db2.gz QOKBSCDVXWVUFK-DGCLKSJQSA-N -1 3 377.384 3.137 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711071 996211418 /nfs/dbraw/zinc/21/14/18/996211418.db2.gz PLVUIYFTUBEVTC-YJBOKZPZSA-N -1 3 383.448 3.107 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711703 996213346 /nfs/dbraw/zinc/21/33/46/996213346.db2.gz WWYPOCAUSHLQGE-QFBILLFUSA-N -1 3 397.475 3.497 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H]1OCc1ccccc1 ZINC001593835997 996590655 /nfs/dbraw/zinc/59/06/55/996590655.db2.gz SINKZQNBWCEJAX-MOPGFXCFSA-N -1 3 382.460 3.297 20 0 GGADHM COC(=O)Cc1ccccc1CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598872699 996744772 /nfs/dbraw/zinc/74/47/72/996744772.db2.gz HLNYRMROZAFPRG-GOSISDBHSA-N -1 3 381.350 3.077 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001599379433 996808571 /nfs/dbraw/zinc/80/85/71/996808571.db2.gz GCOQNDYYACMNIE-SMDDNHRTSA-N -1 3 397.830 3.276 20 0 GGADHM COCOc1ccc(OC)cc1CNCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001599277731 996837628 /nfs/dbraw/zinc/83/76/28/996837628.db2.gz LNBLNOHCKLAZGJ-UHFFFAOYSA-N -1 3 385.416 3.455 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CC=C(c2cccc(C)c2)CC1 ZINC001599381172 996850967 /nfs/dbraw/zinc/85/09/67/996850967.db2.gz SXVWPVUNEPUYPX-FQEVSTJZSA-N -1 3 397.471 3.231 20 0 GGADHM COCc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc(C(=O)[O-])c1 ZINC001599287156 996999765 /nfs/dbraw/zinc/99/97/65/996999765.db2.gz GPHLLUFUODTHAO-FQEVSTJZSA-N -1 3 397.475 3.490 20 0 GGADHM COCc1cc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001599287186 997000344 /nfs/dbraw/zinc/00/03/44/997000344.db2.gz HLCDNPYGROOQDR-RBUKOAKNSA-N -1 3 383.448 3.098 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001599499003 997075467 /nfs/dbraw/zinc/07/54/67/997075467.db2.gz NQEVXPINUHZIAF-UHFFFAOYSA-N -1 3 386.423 3.383 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN(C[C@@H](O)COc1cccc(C)c1)C(C)C ZINC001599499123 997080166 /nfs/dbraw/zinc/08/01/66/997080166.db2.gz SOBIVFRGHSTFMU-LJQANCHMSA-N -1 3 387.476 3.352 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN(C[C@H](O)COc1cccc(C)c1)C(C)C ZINC001599499122 997080245 /nfs/dbraw/zinc/08/02/45/997080245.db2.gz SOBIVFRGHSTFMU-IBGZPJMESA-N -1 3 387.476 3.352 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC001599499434 997086368 /nfs/dbraw/zinc/08/63/68/997086368.db2.gz BLXPCNJLXJPVHL-GOSISDBHSA-N -1 3 386.492 3.008 20 0 GGADHM CO[C@]1(C)C[C@@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1(C)C ZINC001599085581 997090609 /nfs/dbraw/zinc/09/06/09/997090609.db2.gz OCXUIPWGOSXFCX-SJKOYZFVSA-N -1 3 389.279 3.423 20 0 GGADHM CO[C@]1(C)C[C@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1(C)C ZINC001599085583 997091264 /nfs/dbraw/zinc/09/12/64/997091264.db2.gz OCXUIPWGOSXFCX-YVEFUNNKSA-N -1 3 389.279 3.423 20 0 GGADHM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001599395865 997124339 /nfs/dbraw/zinc/12/43/39/997124339.db2.gz BVQOBDGWLQGWJX-XSFOEPMVSA-N -1 3 381.428 3.221 20 0 GGADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001599502185 997145735 /nfs/dbraw/zinc/14/57/35/997145735.db2.gz VBJNVFWEGITPBT-AWEZNQCLSA-N -1 3 390.480 3.009 20 0 GGADHM COC1(c2noc(CC3CCN(Cc4ccoc4C(=O)[O-])CC3)n2)CCCC1 ZINC001599093826 997241386 /nfs/dbraw/zinc/24/13/86/997241386.db2.gz WVICTUJMIHFZJB-UHFFFAOYSA-N -1 3 389.452 3.231 20 0 GGADHM C[C@]1([C@H]2CCCN(Cc3ccc(C(=O)[O-])cc3C(F)(F)F)C2)COC(=O)N1 ZINC001593992916 997277756 /nfs/dbraw/zinc/27/77/56/997277756.db2.gz QEFVKOIQGBDSFG-SUMWQHHRSA-N -1 3 386.370 3.114 20 0 GGADHM COc1cc(CN(C)CC2=CCCOC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599405770 997296260 /nfs/dbraw/zinc/29/62/60/997296260.db2.gz KIJIDFYRBIUZTN-UHFFFAOYSA-N -1 3 387.432 3.344 20 0 GGADHM COc1cc(CN2CC[C@H](C)[C@H](OC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406562 997314748 /nfs/dbraw/zinc/31/47/48/997314748.db2.gz FZUNJOYDYCAQLQ-VBKZILBWSA-N -1 3 389.448 3.422 20 0 GGADHM COc1cc(CN2CC[C@@H](C)[C@H](OC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406561 997316005 /nfs/dbraw/zinc/31/60/05/997316005.db2.gz FZUNJOYDYCAQLQ-JLTOFOAXSA-N -1 3 389.448 3.422 20 0 GGADHM COc1cc(CN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C2CC2)ccc1OC(F)F ZINC001599406927 997327845 /nfs/dbraw/zinc/32/78/45/997327845.db2.gz OPCBOVMFPHWIPL-BXUZGUMPSA-N -1 3 377.334 3.227 20 0 GGADHM COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407720 997355788 /nfs/dbraw/zinc/35/57/88/997355788.db2.gz QZKRLMOLDJRONM-GDBMZVCRSA-N -1 3 389.448 3.158 20 0 GGADHM COc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Br)cc1C(=O)[O-] ZINC001599407987 997364659 /nfs/dbraw/zinc/36/46/59/997364659.db2.gz YQLFELIOSCWMLO-WQVCFCJDSA-N -1 3 398.297 3.281 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC001599515778 997383146 /nfs/dbraw/zinc/38/31/46/997383146.db2.gz HOEVRNLHYNIVMX-IBGZPJMESA-N -1 3 399.491 3.482 20 0 GGADHM COC[C@@H]1CCCCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)C1 ZINC001599204636 997383189 /nfs/dbraw/zinc/38/31/89/997383189.db2.gz QBGDWHTYLPLUAS-GFCCVEGCSA-N -1 3 386.286 3.404 20 0 GGADHM COC1CCC(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)CC1 ZINC001599101267 997388403 /nfs/dbraw/zinc/38/84/03/997388403.db2.gz MEBYSVDAJBTSEJ-PPSBMQLTSA-N -1 3 380.916 3.289 20 0 GGADHM COc1cc(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC001599413851 997470517 /nfs/dbraw/zinc/47/05/17/997470517.db2.gz QOKNPVUOKAXVQK-CRAIPNDOSA-N -1 3 397.475 3.028 20 0 GGADHM COc1cc(CN[C@@H]2C[C@@H](OC)C23CCC3)c(Br)cc1C(=O)[O-] ZINC001599415946 997510157 /nfs/dbraw/zinc/51/01/57/997510157.db2.gz VCLIIXMLJRCERI-HUUCEWRRSA-N -1 3 384.270 3.203 20 0 GGADHM COc1ccc([C@H](N[C@@H](C)CC(=O)Nc2cccc(C)c2)C(=O)[O-])c(OC)c1 ZINC001599526823 997573589 /nfs/dbraw/zinc/57/35/89/997573589.db2.gz FCCAWBKLWDJWGK-XOBRGWDASA-N -1 3 386.448 3.145 20 0 GGADHM C[C@@]1(CNCc2oc(Br)cc2C(=O)[O-])OCCc2ccccc21 ZINC001594027774 997581695 /nfs/dbraw/zinc/58/16/95/997581695.db2.gz PQLSSCVBZIBIJW-KRWDZBQOSA-N -1 3 380.238 3.318 20 0 GGADHM COc1ccc([C@@H](N[C@H](C)CC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1O ZINC001599527246 997582305 /nfs/dbraw/zinc/58/23/05/997582305.db2.gz IDRZNELKEMEFCX-ADLMAVQZSA-N -1 3 392.839 3.187 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC001599527867 997594190 /nfs/dbraw/zinc/59/41/90/997594190.db2.gz KZHXVPAQQWKYKU-CTNGQTDRSA-N -1 3 384.476 3.457 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC001599527884 997594758 /nfs/dbraw/zinc/59/47/58/997594758.db2.gz LKDBKQPWKCMTCJ-SFHVURJKSA-N -1 3 378.513 3.330 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001599528760 997611237 /nfs/dbraw/zinc/61/12/37/997611237.db2.gz RMGOGKFZAGDCJS-RTBURBONSA-N -1 3 376.497 3.132 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001599529442 997623723 /nfs/dbraw/zinc/62/37/23/997623723.db2.gz ZDQKKWVIJKPRDA-AEFFLSMTSA-N -1 3 376.497 3.084 20 0 GGADHM COc1ccc([C@@H](O)C2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)cc1 ZINC001599530935 997651008 /nfs/dbraw/zinc/65/10/08/997651008.db2.gz BRCWHACJWZYEDN-OPAMFIHVSA-N -1 3 399.487 3.493 20 0 GGADHM CO[C@H]1c2ccccc2C[C@H]1N[C@H](C(=O)[O-])c1ccccc1Br ZINC001599327477 997689215 /nfs/dbraw/zinc/68/92/15/997689215.db2.gz NCBCEMISSYCLDV-IKGGRYGDSA-N -1 3 376.250 3.477 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)[O-])cc1 ZINC001599533192 997695467 /nfs/dbraw/zinc/69/54/67/997695467.db2.gz WFMYBOFWABAKHI-QGZVFWFLSA-N -1 3 387.436 3.353 20 0 GGADHM COCCCN(Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])Cc1ccncc1 ZINC001599223368 997711930 /nfs/dbraw/zinc/71/19/30/997711930.db2.gz JXQXVUQTVJAXNX-UHFFFAOYSA-N -1 3 385.439 3.449 20 0 GGADHM COC(=O)c1cc(CN(C[C@H](O)c2ccc(F)cc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598929274 997712431 /nfs/dbraw/zinc/71/24/31/997712431.db2.gz FRKCHUVXJVWNMQ-IBGZPJMESA-N -1 3 387.407 3.009 20 0 GGADHM COC(=O)c1cc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc(C(=O)[O-])c1 ZINC001598929989 997729191 /nfs/dbraw/zinc/72/91/91/997729191.db2.gz IXFOUZNUTRSPQW-KRWDZBQOSA-N -1 3 389.473 3.226 20 0 GGADHM COC(=O)c1cc(CN(CCO)[C@@H]2CCCc3ccccc32)cc(C(=O)[O-])c1 ZINC001598930125 997733231 /nfs/dbraw/zinc/73/32/31/997733231.db2.gz WOGIFJSEFNDYIF-HXUWFJFHSA-N -1 3 383.444 3.043 20 0 GGADHM CC1(N2CCOCC2)CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001594049823 997737737 /nfs/dbraw/zinc/73/77/37/997737737.db2.gz YEMIEGMSIKNAIF-UHFFFAOYSA-N -1 3 386.414 3.090 20 0 GGADHM COC(=O)c1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc(C(=O)[O-])c1 ZINC001598930569 997744455 /nfs/dbraw/zinc/74/44/55/997744455.db2.gz QJOOLRSLINLBRS-HXUWFJFHSA-N -1 3 399.443 3.430 20 0 GGADHM C[C@]1(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC[C@H]1C(=O)[O-] ZINC001594051760 997747950 /nfs/dbraw/zinc/74/79/50/997747950.db2.gz KVOIMXBRRAHCFB-QKLQHJQFSA-N -1 3 394.462 3.294 20 0 GGADHM C[C@@]1(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCN(Cc2ccccc2)C1 ZINC001594053224 997767856 /nfs/dbraw/zinc/76/78/56/997767856.db2.gz QWTQFXSEYJGBTP-LJQANCHMSA-N -1 3 388.855 3.219 20 0 GGADHM COc1ccc(C2=NO[C@@H](CNCc3c4ccccc4[nH]c3C(=O)[O-])C2)cc1 ZINC001599537395 997768042 /nfs/dbraw/zinc/76/80/42/997768042.db2.gz PAHJQDUALHSSBB-OAHLLOKOSA-N -1 3 379.416 3.158 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)cc(C(=O)[O-])c1 ZINC001598931840 997774427 /nfs/dbraw/zinc/77/44/27/997774427.db2.gz BBKIOGIMXHVUOY-HNNXBMFYSA-N -1 3 385.464 3.398 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932206 997783588 /nfs/dbraw/zinc/78/35/88/997783588.db2.gz GNMGWBNIXFYALS-DLBZAZTESA-N -1 3 389.473 3.321 20 0 GGADHM COC(=O)c1cc(CN2CC[C@H](COCc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598932421 997789130 /nfs/dbraw/zinc/78/91/30/997789130.db2.gz VDUCJWNQYWQMMT-KRWDZBQOSA-N -1 3 383.444 3.210 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)ccc1C ZINC001598932649 997796895 /nfs/dbraw/zinc/79/68/95/997796895.db2.gz RQVLHDNUJCPPSB-QGZVFWFLSA-N -1 3 377.824 3.359 20 0 GGADHM C[C@]1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCN(Cc2ccccc2)C1 ZINC001594057044 997806310 /nfs/dbraw/zinc/80/63/10/997806310.db2.gz HCQYMFFTBNYIFJ-FQEVSTJZSA-N -1 3 389.402 3.449 20 0 GGADHM COc1c(Cl)cc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1Cl ZINC001599334480 997810073 /nfs/dbraw/zinc/81/00/73/997810073.db2.gz RBTIYPGABACXPU-UHFFFAOYSA-N -1 3 390.267 3.015 20 0 GGADHM COc1cc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)ccc1C(=O)[O-] ZINC001599434788 997824546 /nfs/dbraw/zinc/82/45/46/997824546.db2.gz KMVRIWWSKNZOQK-UHFFFAOYSA-N -1 3 375.469 3.122 20 0 GGADHM COc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1C(=O)[O-] ZINC001599436861 997862153 /nfs/dbraw/zinc/86/21/53/997862153.db2.gz CGRYRBWFRXXXNH-SFHVURJKSA-N -1 3 383.448 3.352 20 0 GGADHM COCCN(C(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001599232134 997879317 /nfs/dbraw/zinc/87/93/17/997879317.db2.gz IDVGNWQGXIFHGH-MRXNPFEDSA-N -1 3 398.525 3.222 20 0 GGADHM COc1c(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)cccc1C(=O)[O-] ZINC001599338658 997883188 /nfs/dbraw/zinc/88/31/88/997883188.db2.gz QYKRXLFJPATIJS-UHFFFAOYSA-N -1 3 385.464 3.298 20 0 GGADHM COc1cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1C(=O)[O-] ZINC001599438727 997895406 /nfs/dbraw/zinc/89/54/06/997895406.db2.gz ZWIIMOLXBJAPLU-SFHVURJKSA-N -1 3 383.448 3.352 20 0 GGADHM COc1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599439123 997902532 /nfs/dbraw/zinc/90/25/32/997902532.db2.gz ZVGLBIXXFCCJFS-QGZVFWFLSA-N -1 3 383.448 3.180 20 0 GGADHM COc1c(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340223 997909543 /nfs/dbraw/zinc/90/95/43/997909543.db2.gz HKDJYHGESDJVNW-OAQYLSRUSA-N -1 3 383.448 3.180 20 0 GGADHM COc1c(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341181 997924475 /nfs/dbraw/zinc/92/44/75/997924475.db2.gz PYIDWRWIUYJPON-HOCLYGCPSA-N -1 3 383.448 3.178 20 0 GGADHM COc1c(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341162 997924524 /nfs/dbraw/zinc/92/45/24/997924524.db2.gz PYIDWRWIUYJPON-GDBMZVCRSA-N -1 3 383.448 3.178 20 0 GGADHM CC1(c2cccc(Cl)c2)CCN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001594073009 997927045 /nfs/dbraw/zinc/92/70/45/997927045.db2.gz IDZPRYGZJNSYNQ-KRWDZBQOSA-N -1 3 378.900 3.159 20 0 GGADHM COC(=O)c1cc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598939428 997935892 /nfs/dbraw/zinc/93/58/92/997935892.db2.gz LAVJXLPSXOFEMS-ORAYPTAESA-N -1 3 396.443 3.239 20 0 GGADHM COc1cc(N[C@H]2CCCN(Cc3ccc(/C=C\C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443050 997962072 /nfs/dbraw/zinc/96/20/72/997962072.db2.gz MRTUPQHMCKRTNI-LZNQSLFOSA-N -1 3 386.448 3.471 20 0 GGADHM COc1ccc(C[C@](C)(CO)NCc2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC001599551018 998006929 /nfs/dbraw/zinc/00/69/29/998006929.db2.gz UGSFYWADSPORIS-HXUWFJFHSA-N -1 3 393.867 3.139 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCCN(c3ccccc3F)CC2)c1 ZINC001599450597 998087676 /nfs/dbraw/zinc/08/76/76/998087676.db2.gz HVMMCICFXDLZDL-HXUWFJFHSA-N -1 3 388.439 3.181 20 0 GGADHM COc1cc(OC)cc([C@H](OC(=O)c2cccc(CN3CCCC3)c2)C(=O)[O-])c1 ZINC001599451949 998118682 /nfs/dbraw/zinc/11/86/82/998118682.db2.gz CRDNDBQVTCINHX-FQEVSTJZSA-N -1 3 399.443 3.282 20 0 GGADHM COc1cc(OC)cc([C@H](O)CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1 ZINC001599454570 998166358 /nfs/dbraw/zinc/16/63/58/998166358.db2.gz SINRUHKAEJZDLP-HXUWFJFHSA-N -1 3 397.427 3.485 20 0 GGADHM COc1cc(OC)cc(N2CC[C@@H](NCc3cc(C(=O)[O-])ccc3Cl)C2)c1 ZINC001599455299 998177702 /nfs/dbraw/zinc/17/77/02/998177702.db2.gz WAVIHOXFGRGHHK-OAHLLOKOSA-N -1 3 390.867 3.424 20 0 GGADHM COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C(=O)[O-])c3ccccc3Cl)C2)c1 ZINC001599455334 998177904 /nfs/dbraw/zinc/17/79/04/998177904.db2.gz XUXFCVNJJKJNQO-BFUOFWGJSA-N -1 3 390.867 3.351 20 0 GGADHM COc1cc(OC)cc(N2CC[C@H](N[C@H](C(=O)[O-])c3ccccc3Cl)C2)c1 ZINC001599455335 998178135 /nfs/dbraw/zinc/17/81/35/998178135.db2.gz XUXFCVNJJKJNQO-DJJJIMSYSA-N -1 3 390.867 3.351 20 0 GGADHM COC(=O)c1cc2cc(CN3CCC(c4cc(C(=O)[O-])on4)CC3)ccc2o1 ZINC001598957514 998271129 /nfs/dbraw/zinc/27/11/29/998271129.db2.gz HBPOHHCZIMZZDT-UHFFFAOYSA-N -1 3 384.388 3.285 20 0 GGADHM COc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1C(=O)[O-] ZINC001599567610 998313274 /nfs/dbraw/zinc/31/32/74/998313274.db2.gz DVRPLKHMDHHZEJ-LJQANCHMSA-N -1 3 397.475 3.030 20 0 GGADHM COc1cc2c(cc1CN[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)O[C@@H](C)C2 ZINC001599463663 998320059 /nfs/dbraw/zinc/32/00/59/998320059.db2.gz SKTLPTHUZWFQKZ-KBPBESRZSA-N -1 3 398.459 3.224 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC001598960682 998322709 /nfs/dbraw/zinc/32/27/09/998322709.db2.gz KPWBCSRCKXCVBV-ZFWWWQNUSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC[C@@H](C(C)C)CC2)c1 ZINC001598960872 998327304 /nfs/dbraw/zinc/32/73/04/998327304.db2.gz MZWXJFWZKBKARS-HUUCEWRRSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)s2)c1 ZINC001598961737 998344568 /nfs/dbraw/zinc/34/45/68/998344568.db2.gz WRMVQWIOJCFCFK-NWDGAFQWSA-N -1 3 390.461 3.219 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)s2)c1 ZINC001598961736 998344749 /nfs/dbraw/zinc/34/47/49/998344749.db2.gz WRMVQWIOJCFCFK-NEPJUHHUSA-N -1 3 390.461 3.219 20 0 GGADHM COc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1Br ZINC001599571067 998366483 /nfs/dbraw/zinc/36/64/83/998366483.db2.gz JHLSJQRCJLAIQG-QGZVFWFLSA-N -1 3 379.254 3.332 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)s1 ZINC001598965125 998402027 /nfs/dbraw/zinc/40/20/27/998402027.db2.gz IJYMDWWBHRCCEU-NWDGAFQWSA-N -1 3 390.461 3.219 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC001598965463 998410478 /nfs/dbraw/zinc/41/04/78/998410478.db2.gz OMTBLEMTVAQHPU-HUUCEWRRSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1C ZINC001598965669 998414997 /nfs/dbraw/zinc/41/49/97/998414997.db2.gz QVMOTSCCAUZGDL-ZIAGYGMSSA-N -1 3 384.432 3.158 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001599371475 998417087 /nfs/dbraw/zinc/41/70/87/998417087.db2.gz RKFFUVHNXOLPIV-UHFFFAOYSA-N -1 3 389.427 3.128 20 0 GGADHM COc1ccc(CNc2nc3cccc(C(=O)[O-])c3[nH]2)c(Br)c1O ZINC001599575002 998428683 /nfs/dbraw/zinc/42/86/83/998428683.db2.gz RUDPJYLKFIXKEI-UHFFFAOYSA-N -1 3 392.209 3.350 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC001599577935 998475926 /nfs/dbraw/zinc/47/59/26/998475926.db2.gz JNDHWKIEHWBMJN-LLVKDONJSA-N -1 3 380.828 3.455 20 0 GGADHM COc1ccc(-n2c(CN[C@]3(CC(=O)[O-])CCCOC3)nc3ccccc32)cc1 ZINC001599473601 998489805 /nfs/dbraw/zinc/48/98/05/998489805.db2.gz JWNXSZXXOJRLKG-QFIPXVFZSA-N -1 3 395.459 3.148 20 0 GGADHM COC(=O)c1ccc([C@@H](C)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)o1 ZINC001598970033 998497777 /nfs/dbraw/zinc/49/77/77/998497777.db2.gz URSXZLBXGPEVOL-DDTOSNHZSA-N -1 3 379.359 3.206 20 0 GGADHM COc1ccc(F)cc1-c1cncc(CN2CCC3(CC(C(=O)[O-])=NO3)CC2)c1 ZINC001599582240 998550148 /nfs/dbraw/zinc/55/01/48/998550148.db2.gz PSBDEPWUGPKGKA-UHFFFAOYSA-N -1 3 399.422 3.092 20 0 GGADHM COC(=O)c1ccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)c2ncccc12 ZINC001598975046 998588389 /nfs/dbraw/zinc/58/83/89/998588389.db2.gz ZVJIQZJANCNJEM-UHFFFAOYSA-N -1 3 395.415 3.087 20 0 GGADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001594186550 998721358 /nfs/dbraw/zinc/72/13/58/998721358.db2.gz XBLCVZXYCQJDMT-MDZRGWNJSA-N -1 3 382.508 3.288 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1Cc1ccccc1 ZINC001594189896 998736301 /nfs/dbraw/zinc/73/63/01/998736301.db2.gz CKCGGFHKAXVRAX-PXAZEXFGSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@H]1[C@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)CCN1Cc1ccccc1 ZINC001594189955 998736325 /nfs/dbraw/zinc/73/63/25/998736325.db2.gz DFQRHSDWBRXSEJ-PKOBYXMFSA-N -1 3 387.524 3.374 20 0 GGADHM C[C@H]1[C@@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001594189979 998737323 /nfs/dbraw/zinc/73/73/23/998737323.db2.gz DOXHVANVKBQDBR-KKSFZXQISA-N -1 3 393.487 3.116 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCN1Cc1ccccc1 ZINC001594191301 998747351 /nfs/dbraw/zinc/74/73/51/998747351.db2.gz VQKAITDCVRELRZ-IIBYNOLFSA-N -1 3 393.487 3.116 20 0 GGADHM COC(=O)c1cccc([C@@H](N[C@@H](C)c2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC001598993278 998756065 /nfs/dbraw/zinc/75/60/65/998756065.db2.gz CXLBFPAATPDIBD-VBKZILBWSA-N -1 3 396.443 3.077 20 0 GGADHM COC(=O)c1cccc([C@H](NCc2ccc(OC)cc2C(F)(F)F)C(=O)[O-])c1 ZINC001598994469 998766475 /nfs/dbraw/zinc/76/64/75/998766475.db2.gz FZBSWLCGYAPTET-INIZCTEOSA-N -1 3 397.349 3.416 20 0 GGADHM COC(=O)c1cccc([C@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])c1 ZINC001598996813 998787386 /nfs/dbraw/zinc/78/73/86/998787386.db2.gz VJVXVIMDGZJZLG-FQEVSTJZSA-N -1 3 376.412 3.451 20 0 GGADHM COC(=O)c1cccc([C@@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)[O-])c1 ZINC001598998592 998803393 /nfs/dbraw/zinc/80/33/93/998803393.db2.gz QOTUFEVAYNBJKP-VQTJNVASSA-N -1 3 397.427 3.111 20 0 GGADHM COC(=O)c1cnc([C@H]2CCCN([C@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008713 998878441 /nfs/dbraw/zinc/87/84/41/998878441.db2.gz CATNBTMNQLOPFM-WFASDCNBSA-N -1 3 378.425 3.074 20 0 GGADHM COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)s1 ZINC001599009130 998881726 /nfs/dbraw/zinc/88/17/26/998881726.db2.gz JLYZCSKOZQRVOC-LBPRGKRZSA-N -1 3 378.425 3.147 20 0 GGADHM C[C@H]1C[C@H](CNC(C)(C)c2cc(C(=O)[O-])on2)CCN1C(=O)OC(C)(C)C ZINC001594244575 998930841 /nfs/dbraw/zinc/93/08/41/998930841.db2.gz XQCGMCBGKUEXIZ-QWHCGFSZSA-N -1 3 381.473 3.233 20 0 GGADHM COC(=O)c1oc([C@H](C)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599017544 998951843 /nfs/dbraw/zinc/95/18/43/998951843.db2.gz KLELHCWEWXDQIM-RYUDHWBXSA-N -1 3 378.450 3.470 20 0 GGADHM COC(=O)c1sc(NC(=O)CN(C2CC2)C2CCCCC2)c(C(=O)[O-])c1C ZINC001599020596 998976199 /nfs/dbraw/zinc/97/61/99/998976199.db2.gz FCSOXJLDTACKRP-UHFFFAOYSA-N -1 3 394.493 3.277 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CN1Cc1ccccc1 ZINC001594253639 998976673 /nfs/dbraw/zinc/97/66/73/998976673.db2.gz ROXLEROWQMSLIY-IERDGZPVSA-N -1 3 393.487 3.116 20 0 GGADHM CO[C@H](C(=O)[O-])c1ccccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001599026465 999019642 /nfs/dbraw/zinc/01/96/42/999019642.db2.gz LMMWBSRWHBAVMZ-RXVVDRJESA-N -1 3 385.460 3.129 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001594275168 999064190 /nfs/dbraw/zinc/06/41/90/999064190.db2.gz NVFPDGWBKJPZQM-COXVUDFISA-N -1 3 393.915 3.228 20 0 GGADHM C[C@@H]1C[C@H]1[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001594275169 999064465 /nfs/dbraw/zinc/06/44/65/999064465.db2.gz NVFPDGWBKJPZQM-KBRIMQKVSA-N -1 3 393.915 3.228 20 0 GGADHM CO[C@@](C)([C@H](C)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CC1 ZINC001599035825 999082794 /nfs/dbraw/zinc/08/27/94/999082794.db2.gz REYNHQACXPJIMB-XYZCENFISA-N -1 3 389.279 3.423 20 0 GGADHM CO[C@@H](C)c1nc(CN2CCCN([C@@H](C(=O)[O-])c3ccsc3)CC2)cs1 ZINC001599041413 999120272 /nfs/dbraw/zinc/12/02/72/999120272.db2.gz AGWRYPZCODXIGU-XJKSGUPXSA-N -1 3 395.550 3.246 20 0 GGADHM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1[C@H](C)CC[C@@H]1C ZINC001594300478 999160310 /nfs/dbraw/zinc/16/03/10/999160310.db2.gz SGWMXHXOCDLEHA-OXIQGZBJSA-N -1 3 388.386 3.088 20 0 GGADHM CC1CCC(N2CCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3F)CC2)CC1 ZINC001594317860 999224958 /nfs/dbraw/zinc/22/49/58/999224958.db2.gz DBAWLNWNYOIGAD-UHFFFAOYSA-N -1 3 381.423 3.391 20 0 GGADHM C[C@H]1CC[C@@](NCCS(=O)(=O)C2CCCCC2)(C(=O)[O-])c2ccccc21 ZINC001594321522 999236434 /nfs/dbraw/zinc/23/64/34/999236434.db2.gz SVGRELRUOQHGFR-YWZLYKJASA-N -1 3 379.522 3.201 20 0 GGADHM C[C@H]1CC[C@H](NCc2ccccc2OCC(=O)[O-])CN1C(=O)OC(C)(C)C ZINC001594321972 999239181 /nfs/dbraw/zinc/23/91/81/999239181.db2.gz YIQQFMHAAZIMGF-HOCLYGCPSA-N -1 3 378.469 3.028 20 0 GGADHM CC1CCC(N2CCN(C(=O)Nc3cc(F)c(C(=O)[O-])c(F)c3)CC2)CC1 ZINC001594324472 999251811 /nfs/dbraw/zinc/25/18/11/999251811.db2.gz YOHLNMBLKWOUSH-UHFFFAOYSA-N -1 3 381.423 3.391 20 0 GGADHM C[C@@H]1CC[C@](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)(C(=O)[O-])c2ccccc21 ZINC001594324487 999252214 /nfs/dbraw/zinc/25/22/14/999252214.db2.gz ZJKHDCKMLGYBDX-XMDBHEJHSA-N -1 3 376.472 3.193 20 0 GGADHM C[C@@H]1CCCN(Cc2cncc(C(=O)[O-])c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594382738 999444119 /nfs/dbraw/zinc/44/41/19/999444119.db2.gz BECVYJQNSBQGDA-RHSMWYFYSA-N -1 3 377.485 3.295 20 0 GGADHM C[C@H]1CCCN(CCOc2ccccc2C(=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001594383345 999447498 /nfs/dbraw/zinc/44/74/98/999447498.db2.gz IDLYNJOBRWSLBY-RDJZCZTQSA-N -1 3 392.496 3.389 20 0 GGADHM C[C@H]1CCCN(CCOc2ccccc2C(=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001594383343 999447587 /nfs/dbraw/zinc/44/75/87/999447587.db2.gz IDLYNJOBRWSLBY-DOTOQJQBSA-N -1 3 392.496 3.389 20 0 GGADHM C[C@@H]1CCCN(CCOc2ccccc2C(=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001594383346 999447758 /nfs/dbraw/zinc/44/77/58/999447758.db2.gz IDLYNJOBRWSLBY-WBVHZDCISA-N -1 3 392.496 3.389 20 0 GGADHM C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])n2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594383821 999451161 /nfs/dbraw/zinc/45/11/61/999451161.db2.gz MAHUCVVOABTGMH-PBHICJAKSA-N -1 3 377.485 3.295 20 0 GGADHM C[C@@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001594384280 999454645 /nfs/dbraw/zinc/45/46/45/999454645.db2.gz QGZXTCIIWCXUMD-QAPCUYQASA-N -1 3 392.496 3.389 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c2ccccc2)CC1 ZINC001594412173 999540087 /nfs/dbraw/zinc/54/00/87/999540087.db2.gz ITMOKGVORGBRSA-VIZSFHNOSA-N -1 3 399.535 3.498 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)c2cccs2)CC1 ZINC001594412274 999540788 /nfs/dbraw/zinc/54/07/88/999540788.db2.gz KFPKLIJKPLRRCS-QGZVFWFLSA-N -1 3 393.553 3.417 20 0 GGADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2Br)C[C@H]1n1ccnc1 ZINC001594412615 999541614 /nfs/dbraw/zinc/54/16/14/999541614.db2.gz POOQXIZRGIWGRN-DAXOMENPSA-N -1 3 378.270 3.354 20 0 GGADHM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001594412531 999542066 /nfs/dbraw/zinc/54/20/66/999542066.db2.gz OLYFVPVCSXLMSN-ARFHVFGLSA-N -1 3 379.526 3.026 20 0 GGADHM C[C@@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594423829 999584218 /nfs/dbraw/zinc/58/42/18/999584218.db2.gz IXXKHXWLHJVHQU-PEGRTIRESA-N -1 3 378.469 3.360 20 0 GGADHM CC1CCN([C@H](CNC(=O)NCC(C)(C)CC(=O)[O-])c2cccs2)CC1 ZINC001594424793 999589542 /nfs/dbraw/zinc/58/95/42/999589542.db2.gz YLCODFJTYCZOIQ-OAHLLOKOSA-N -1 3 381.542 3.321 20 0 GGADHM C[C@@H]1CCc2c(sc3nc(CN4C[C@@H]5CCC[C@H]5[C@@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444157 999632853 /nfs/dbraw/zinc/63/28/53/999632853.db2.gz NIJQHEPFWSYRTD-UZTWBRENSA-N -1 3 386.521 3.083 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@H]3CCOC34CCCC4)c2C(=O)[O-])C1 ZINC001594444527 999634206 /nfs/dbraw/zinc/63/42/06/999634206.db2.gz SRQQHBRJZXUESM-DOMZBBRYSA-N -1 3 392.521 3.201 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1csc(-c2ccsc2)n1 ZINC000426783318 1126090311 /nfs/dbraw/zinc/09/03/11/1126090311.db2.gz JGLVAEMMFKYJKQ-CQSZACIVSA-N -1 3 388.470 3.386 20 0 GGADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(Cl)ccc1Cl ZINC000426741345 1126085665 /nfs/dbraw/zinc/08/56/65/1126085665.db2.gz KYXHQUGEQVWGRO-QGZVFWFLSA-N -1 3 391.258 3.360 20 0 GGADHM CCc1cccc2cc(CN[C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])oc21 ZINC000656572801 1126104253 /nfs/dbraw/zinc/10/42/53/1126104253.db2.gz MBRAJWIEPLGPMQ-CQSZACIVSA-N -1 3 381.354 3.454 20 0 GGADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cnc(-c2ccccc2)s1 ZINC000756341280 1126107326 /nfs/dbraw/zinc/10/73/26/1126107326.db2.gz VKZCADKVICTLLE-SFHVURJKSA-N -1 3 396.468 3.486 20 0 GGADHM COc1cccc(C[C@@H](NCc2cc(Br)cnc2Cl)C(=O)[O-])c1 ZINC000843303773 1126112347 /nfs/dbraw/zinc/11/23/47/1126112347.db2.gz GKNHMSIZLVNHCW-CQSZACIVSA-N -1 3 399.672 3.292 20 0 GGADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000904049712 1126132152 /nfs/dbraw/zinc/13/21/52/1126132152.db2.gz HYPNPXPKOBJSDI-INIZCTEOSA-N -1 3 387.871 3.158 20 0 GGADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000904052748 1126132281 /nfs/dbraw/zinc/13/22/81/1126132281.db2.gz HYPNPXPKOBJSDI-MRXNPFEDSA-N -1 3 387.871 3.158 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1nc2c(s1)CCCC2 ZINC001325666402 1126172880 /nfs/dbraw/zinc/17/28/80/1126172880.db2.gz LKZZBMUBYCKVIV-CQSZACIVSA-N -1 3 382.432 3.409 20 0 GGADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1cc(Br)c(Cl)s1 ZINC001339024290 1126180924 /nfs/dbraw/zinc/18/09/24/1126180924.db2.gz CFCNMVSRDVLZMJ-SECBINFHSA-N -1 3 399.097 3.257 20 0 GGADHM Cc1cc(C)c(CN[C@](C)(Cn2cccn2)C(=O)[O-])c(OCc2ccccc2)n1 ZINC001600161236 1126218153 /nfs/dbraw/zinc/21/81/53/1126218153.db2.gz IPAJHCCEYJSQBJ-JOCHJYFZSA-N -1 3 394.475 3.107 20 0 GGADHM Cn1nc(C(F)(F)F)c(CN[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1Cl ZINC001601007733 1126221584 /nfs/dbraw/zinc/22/15/84/1126221584.db2.gz ZIMFRAZZZZCIKP-HNNXBMFYSA-N -1 3 393.768 3.407 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NCc1scnc1Cl ZINC001601660893 1126224970 /nfs/dbraw/zinc/22/49/70/1126224970.db2.gz ZQIRKTRRGLBHBF-JTQLQIEISA-N -1 3 380.775 3.481 20 0 GGADHM O=C([O-])[C@@]1(NCc2coc(C3CC3)n2)CCc2cc(Br)ccc2C1 ZINC001601721435 1126226543 /nfs/dbraw/zinc/22/65/43/1126226543.db2.gz QWQYOMMMZXFHNC-GOSISDBHSA-N -1 3 391.265 3.416 20 0 GGADHM Cc1cc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)c(C)n1C ZINC000016720551 210195841 /nfs/dbraw/zinc/19/58/41/210195841.db2.gz JMZFMJSZCWJNNY-CXUHLZMHSA-N -1 3 378.457 3.488 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2Cl)c(=O)[n-]1 ZINC000016469464 210191574 /nfs/dbraw/zinc/19/15/74/210191574.db2.gz GWQCXZNXAGUSDE-UHFFFAOYSA-N -1 3 384.661 3.374 20 0 GGADHM Cc1ccc(NC(=O)COc2ccc(I)cc2)c([O-])c1 ZINC000015922840 210180043 /nfs/dbraw/zinc/18/00/43/210180043.db2.gz CDZCKJBCKMVNLE-UHFFFAOYSA-N -1 3 383.185 3.323 20 0 GGADHM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000015865800 210176423 /nfs/dbraw/zinc/17/64/23/210176423.db2.gz FRHPOFDYJMUTDB-QGZVFWFLSA-N -1 3 386.498 3.276 20 0 GGADHM Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000015043411 210146638 /nfs/dbraw/zinc/14/66/38/210146638.db2.gz PGRJOYWTHYMKEC-INIZCTEOSA-N -1 3 381.476 3.378 20 0 GGADHM C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043353 210144620 /nfs/dbraw/zinc/14/46/20/210144620.db2.gz BNNKEGUIZKOYTA-KRWDZBQOSA-N -1 3 399.535 3.438 20 0 GGADHM O=C(Nc1nccs1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014064113 210101725 /nfs/dbraw/zinc/10/17/25/210101725.db2.gz JAULRUZKOFOZDT-UHFFFAOYSA-N -1 3 377.422 3.335 20 0 GGADHM CNC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2 ZINC000013526953 210064502 /nfs/dbraw/zinc/06/45/02/210064502.db2.gz UUAYPPSNICXNPI-NTCAYCPXSA-N -1 3 388.423 3.330 20 0 GGADHM O=C(NCc1ccccc1CN1CCOCC1)c1cc2ccccc2cc1[O-] ZINC000013007859 210046324 /nfs/dbraw/zinc/04/63/24/210046324.db2.gz RNNVJKHKBOUAHU-UHFFFAOYSA-N -1 3 376.456 3.308 20 0 GGADHM O=C(NCCCC1CCCC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012976209 210038259 /nfs/dbraw/zinc/03/82/59/210038259.db2.gz GBWVQHBLFJEYGN-UHFFFAOYSA-N -1 3 399.582 3.171 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C)cc1 ZINC000012924143 210030336 /nfs/dbraw/zinc/03/03/36/210030336.db2.gz IDMUEOQCQLTITH-HNNXBMFYSA-N -1 3 385.844 3.370 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C)cc1 ZINC000012924138 210029257 /nfs/dbraw/zinc/02/92/57/210029257.db2.gz IDMUEOQCQLTITH-OAHLLOKOSA-N -1 3 385.844 3.370 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000012815345 210015101 /nfs/dbraw/zinc/01/51/01/210015101.db2.gz QPDDEYOPSDNUAF-UHFFFAOYSA-N -1 3 385.445 3.099 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1ccc(Cl)cc1Cl ZINC000012817325 210015195 /nfs/dbraw/zinc/01/51/95/210015195.db2.gz SYSJOHKKMXCLFL-UHFFFAOYSA-N -1 3 398.271 3.329 20 0 GGADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012764419 210005780 /nfs/dbraw/zinc/00/57/80/210005780.db2.gz HTPKQRKFNXRPRX-UHFFFAOYSA-N -1 3 392.431 3.114 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2n1 ZINC000012760193 210003986 /nfs/dbraw/zinc/00/39/86/210003986.db2.gz RUNOMJVZMNLKHE-CYBMUJFWSA-N -1 3 380.473 3.417 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCCc2ccccc2F)CC1 ZINC000012757550 210004037 /nfs/dbraw/zinc/00/40/37/210004037.db2.gz KWKWXKGATXSMEU-UHFFFAOYSA-N -1 3 385.439 3.134 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1ccccc1C(C)(C)C ZINC000012762132 210002704 /nfs/dbraw/zinc/00/27/04/210002704.db2.gz NMJVZRZDTFPJQH-UHFFFAOYSA-N -1 3 385.489 3.320 20 0 GGADHM O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)OCc1cccc(C(F)(F)F)c1 ZINC000096401182 209240372 /nfs/dbraw/zinc/24/03/72/209240372.db2.gz UAKNUYHKYIQSFW-KTKRTIGZSA-N -1 3 399.390 3.339 20 0 GGADHM C[S@](=O)Cc1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000170600699 209183962 /nfs/dbraw/zinc/18/39/62/209183962.db2.gz VWFIEHOMNAPDDT-SANMLTNESA-N -1 3 376.384 3.349 20 0 GGADHM C[S@](=O)Cc1cccc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])c1 ZINC000170600699 209183965 /nfs/dbraw/zinc/18/39/65/209183965.db2.gz VWFIEHOMNAPDDT-SANMLTNESA-N -1 3 376.384 3.349 20 0 GGADHM Cc1sc2[n-]c(CSc3nnnn3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000006370585 212070521 /nfs/dbraw/zinc/07/05/21/212070521.db2.gz XMIUPKRYAYTPEJ-UHFFFAOYSA-N -1 3 384.490 3.084 20 0 GGADHM COC(=O)c1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)oc1C ZINC000328594795 209145493 /nfs/dbraw/zinc/14/54/93/209145493.db2.gz BUWURMBGWOAERO-UHFFFAOYSA-N -1 3 398.456 3.203 20 0 GGADHM Cn1cnnc1[N-]C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000153953427 211602321 /nfs/dbraw/zinc/60/23/21/211602321.db2.gz ZBCJXQQZEZPKAU-HNNXBMFYSA-N -1 3 387.237 3.336 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CCCOC(C)=O)c2)cc1 ZINC000097165050 211361192 /nfs/dbraw/zinc/36/11/92/211361192.db2.gz MFULABSLRDRXIH-UHFFFAOYSA-N -1 3 377.462 3.382 20 0 GGADHM O=[S@](Cc1noc(Cc2ccc(Br)cc2)n1)c1ccc([O-])cc1 ZINC000097019948 211354992 /nfs/dbraw/zinc/35/49/92/211354992.db2.gz NGQSRNNCSVXXJL-QHCPKHFHSA-N -1 3 393.262 3.436 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3[S@](=O)CC)c2)n1 ZINC000096998436 211354588 /nfs/dbraw/zinc/35/45/88/211354588.db2.gz XQCPHUMTASTDFM-NDEPHWFRSA-N -1 3 395.484 3.379 20 0 GGADHM O=C(N[C@H]1C=CCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000097014362 211354253 /nfs/dbraw/zinc/35/42/53/211354253.db2.gz PUEJZGMLDQJHAE-JTQLQIEISA-N -1 3 389.304 3.273 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc(Br)s1 ZINC000097091396 211357410 /nfs/dbraw/zinc/35/74/10/211357410.db2.gz ZXZFEBIMPGKKCJ-UHFFFAOYSA-N -1 3 398.326 3.172 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccccc1Br ZINC000097098759 211357106 /nfs/dbraw/zinc/35/71/06/211357106.db2.gz JXEGUFXCKZLLJV-UHFFFAOYSA-N -1 3 392.297 3.411 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCN1c1ccccc1 ZINC000096396148 211340453 /nfs/dbraw/zinc/34/04/53/211340453.db2.gz JXGLGVPOGYIJED-HNNXBMFYSA-N -1 3 385.272 3.077 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCN1c1ccccc1 ZINC000096396149 211340313 /nfs/dbraw/zinc/34/03/13/211340313.db2.gz JXGLGVPOGYIJED-OAHLLOKOSA-N -1 3 385.272 3.077 20 0 GGADHM CN1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000095956559 211287328 /nfs/dbraw/zinc/28/73/28/211287328.db2.gz BWDXCCGLNVSDMZ-KRWDZBQOSA-N -1 3 393.896 3.174 20 0 GGADHM O=c1nc(Cc2nc(-c3ccccc3)n[n-]2)[nH]c2sc3c(c21)CCCS3 ZINC000095351251 211222035 /nfs/dbraw/zinc/22/20/35/211222035.db2.gz AEXKCOJOKIAUPF-UHFFFAOYSA-N -1 3 381.486 3.399 20 0 GGADHM O=c1nc(Cc2nnc(-c3ccccc3)[n-]2)[nH]c2sc3c(c21)CCCS3 ZINC000095351251 211222036 /nfs/dbraw/zinc/22/20/36/211222036.db2.gz AEXKCOJOKIAUPF-UHFFFAOYSA-N -1 3 381.486 3.399 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000084026669 211165629 /nfs/dbraw/zinc/16/56/29/211165629.db2.gz YNGRWTQOKFRMOC-UHFFFAOYSA-N -1 3 392.477 3.201 20 0 GGADHM C[C@]1(c2cccc(NC(=O)c3occc3-c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000040117752 210775469 /nfs/dbraw/zinc/77/54/69/210775469.db2.gz HPXHHTJLNAZIIZ-OAQYLSRUSA-N -1 3 375.384 3.254 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000021702461 210389836 /nfs/dbraw/zinc/38/98/36/210389836.db2.gz UALOCEDJNGVMRP-UHFFFAOYSA-N -1 3 379.825 3.341 20 0 GGADHM CCc1cc2c(CN3CCN(c4ccccc4O)CC3)cc(=O)oc2cc1[O-] ZINC000057898644 136154056 /nfs/dbraw/zinc/15/40/56/136154056.db2.gz BFJKWDVBWYFJEQ-UHFFFAOYSA-N -1 3 380.444 3.089 20 0 GGADHM Cc1ccc(N2C(=O)C[C@H](C(=O)[N-]C3=NCCS3)[C@H]2c2cccs2)cc1 ZINC000011499187 524921899 /nfs/dbraw/zinc/92/18/99/524921899.db2.gz ZQWIVOPBLLHXHP-YOEHRIQHSA-N -1 3 385.514 3.370 20 0 GGADHM CCCCN(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429826642 566953760 /nfs/dbraw/zinc/95/37/60/566953760.db2.gz PJGDOBSJJTWBOV-UHFFFAOYSA-N -1 3 383.739 3.113 20 0 GGADHM Cc1nn2c(nnc2SCc2cc(Br)ccc2Cl)[n-]c1=O ZINC000114860651 564183393 /nfs/dbraw/zinc/18/33/93/564183393.db2.gz CTFCVIMPEFCJRR-UHFFFAOYSA-N -1 3 386.662 3.242 20 0 GGADHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000115459605 564194678 /nfs/dbraw/zinc/19/46/78/564194678.db2.gz LOYJSULCWNOHRE-UHFFFAOYSA-N -1 3 379.309 3.064 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2)no1)c1cc(F)cc(F)c1 ZINC000115584197 564195109 /nfs/dbraw/zinc/19/51/09/564195109.db2.gz GUIKLKOCOAHGAJ-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1F ZINC000115584318 564195212 /nfs/dbraw/zinc/19/52/12/564195212.db2.gz LRHDWOTXWDTKTI-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nnnn1-c1ccccc1 ZINC000115593680 564196172 /nfs/dbraw/zinc/19/61/72/564196172.db2.gz VQMHOQGVYAXPLT-JTQLQIEISA-N -1 3 398.275 3.009 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)CCC2CCCCC2)s1 ZINC000115586744 564196574 /nfs/dbraw/zinc/19/65/74/564196574.db2.gz GKGDTGBYCGWNHF-AWEZNQCLSA-N -1 3 386.583 3.454 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000004079371 564199848 /nfs/dbraw/zinc/19/98/48/564199848.db2.gz ULBGVUGCCMANFB-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000115933130 564201257 /nfs/dbraw/zinc/20/12/57/564201257.db2.gz YCLVOKVDDOVCQF-QMMMGPOBSA-N -1 3 379.290 3.360 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000115933133 564201280 /nfs/dbraw/zinc/20/12/80/564201280.db2.gz YCLVOKVDDOVCQF-MRVPVSSYSA-N -1 3 379.290 3.360 20 0 GGADHM CN(C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1)c1nccs1 ZINC000116197020 564205376 /nfs/dbraw/zinc/20/53/76/564205376.db2.gz KTCCJHBRATWVMG-UHFFFAOYSA-N -1 3 399.563 3.482 20 0 GGADHM CCc1ncc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)s1 ZINC000116213729 564205520 /nfs/dbraw/zinc/20/55/20/564205520.db2.gz SJDFDLYEKHNONL-UHFFFAOYSA-N -1 3 392.282 3.360 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000116356316 564208195 /nfs/dbraw/zinc/20/81/95/564208195.db2.gz LHIDRFRVJXRPPP-VXGBXAGGSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000116356314 564208389 /nfs/dbraw/zinc/20/83/89/564208389.db2.gz LHIDRFRVJXRPPP-RYUDHWBXSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000116356327 564208450 /nfs/dbraw/zinc/20/84/50/564208450.db2.gz NRLDYFRWZPOZGV-VXGBXAGGSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000116357349 564208575 /nfs/dbraw/zinc/20/85/75/564208575.db2.gz ITZWDEYAFSQTGZ-VXGBXAGGSA-N -1 3 393.336 3.355 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2nccs2)cc1Cl ZINC000116376875 564209244 /nfs/dbraw/zinc/20/92/44/564209244.db2.gz ZOUIHHZDAWGNJM-UHFFFAOYSA-N -1 3 391.877 3.108 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H]1c1cccs1 ZINC000116461750 564211227 /nfs/dbraw/zinc/21/12/27/564211227.db2.gz RZOFGJZDUICKLW-SNVBAGLBSA-N -1 3 390.939 3.105 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H]1c1ccsc1 ZINC000116463524 564211414 /nfs/dbraw/zinc/21/14/14/564211414.db2.gz YUEHBNUXFARVQH-LLVKDONJSA-N -1 3 390.939 3.105 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1c1cccs1 ZINC000116461747 564211632 /nfs/dbraw/zinc/21/16/32/564211632.db2.gz RZOFGJZDUICKLW-JTQLQIEISA-N -1 3 390.939 3.105 20 0 GGADHM Nc1n[nH]c(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)n1 ZINC000005355503 564215729 /nfs/dbraw/zinc/21/57/29/564215729.db2.gz AQNXBQVMFFVDJI-UHFFFAOYSA-N -1 3 390.881 3.298 20 0 GGADHM Cc1cccc(N2CCC(NC(=O)c3ccc(Br)cc3[O-])CC2)n1 ZINC000116982370 564220594 /nfs/dbraw/zinc/22/05/94/564220594.db2.gz GGVUZCWLSBHHCK-UHFFFAOYSA-N -1 3 390.281 3.257 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1[O-] ZINC000116979032 564220620 /nfs/dbraw/zinc/22/06/20/564220620.db2.gz YXCAHYJOZXUWQH-UHFFFAOYSA-N -1 3 382.869 3.293 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CSCc2cc(=O)n3ccsc3n2)c1[O-] ZINC000116980602 564220952 /nfs/dbraw/zinc/22/09/52/564220952.db2.gz IVTXWRXHOTWWKB-UHFFFAOYSA-N -1 3 395.893 3.295 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000006316964 564222269 /nfs/dbraw/zinc/22/22/69/564222269.db2.gz HIDPSHKSNXPMSJ-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM O=C(COc1cccc(Br)c1)[N-]c1nncn1Cc1ccccc1 ZINC000117738528 564231065 /nfs/dbraw/zinc/23/10/65/564231065.db2.gz PZLFPPODXJJJBP-UHFFFAOYSA-N -1 3 387.237 3.106 20 0 GGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007127449 564233022 /nfs/dbraw/zinc/23/30/22/564233022.db2.gz WMKXJNWLBLAPGC-UHFFFAOYSA-N -1 3 378.215 3.025 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000118438277 564240665 /nfs/dbraw/zinc/24/06/65/564240665.db2.gz KRSTYAPUNNIIKS-BLLLJJGKSA-N -1 3 375.918 3.468 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000008166942 564246971 /nfs/dbraw/zinc/24/69/71/564246971.db2.gz LBPXNAFNEDDKJF-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000008352817 564248812 /nfs/dbraw/zinc/24/88/12/564248812.db2.gz RCAYRMMXINHWAH-UHFFFAOYSA-N -1 3 392.786 3.433 20 0 GGADHM O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000008352844 564249031 /nfs/dbraw/zinc/24/90/31/564249031.db2.gz QIBSKAGGBBEJPM-UHFFFAOYSA-N -1 3 378.416 3.436 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC000008521620 564249509 /nfs/dbraw/zinc/24/95/09/564249509.db2.gz NCCYMCGRMYFISH-LLVKDONJSA-N -1 3 388.283 3.350 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](CCCO)c1ccccc1 ZINC000119004270 564250221 /nfs/dbraw/zinc/25/02/21/564250221.db2.gz GNVFCEZHWNPSQB-INIZCTEOSA-N -1 3 393.281 3.468 20 0 GGADHM O=C(c1cccs1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000119125087 564256367 /nfs/dbraw/zinc/25/63/67/564256367.db2.gz XEPFRFAQQIHSPM-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000010293363 564256303 /nfs/dbraw/zinc/25/63/03/564256303.db2.gz BLOKVBXYRFFOSH-UHFFFAOYSA-N -1 3 393.237 3.239 20 0 GGADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC[C@@H]1CCCO1 ZINC000010316377 564257315 /nfs/dbraw/zinc/25/73/15/564257315.db2.gz SFDOZQLFZRVNPC-MNOVXSKESA-N -1 3 382.486 3.197 20 0 GGADHM O=S(=O)([N-]CC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccs1 ZINC000010519450 564258265 /nfs/dbraw/zinc/25/82/65/564258265.db2.gz OPFXFTXICWNMDX-UHFFFAOYSA-N -1 3 379.503 3.310 20 0 GGADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ncccn1 ZINC000010428191 564258361 /nfs/dbraw/zinc/25/83/61/564258361.db2.gz SSVWPZKSDPYELF-SECBINFHSA-N -1 3 376.442 3.330 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000119201988 564259444 /nfs/dbraw/zinc/25/94/44/564259444.db2.gz YIKJHNHJJDSENQ-KBXCAEBGSA-N -1 3 381.519 3.352 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000119209353 564260101 /nfs/dbraw/zinc/26/01/01/564260101.db2.gz YIYPDNOJTFYYDC-UHFFFAOYSA-N -1 3 394.305 3.285 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)s2)cs1 ZINC000119235288 564261284 /nfs/dbraw/zinc/26/12/84/564261284.db2.gz WTSACYAPDQENAZ-UHFFFAOYSA-N -1 3 394.499 3.387 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cccc3ccccc32)s1 ZINC000011008218 564261730 /nfs/dbraw/zinc/26/17/30/564261730.db2.gz GFWNKNLJZPWMAG-UHFFFAOYSA-N -1 3 375.475 3.131 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1c(C)noc1C ZINC000119251852 564261978 /nfs/dbraw/zinc/26/19/78/564261978.db2.gz VALPHAYNLGMFHV-CYBMUJFWSA-N -1 3 386.857 3.161 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1c(C)noc1C ZINC000119251731 564262294 /nfs/dbraw/zinc/26/22/94/564262294.db2.gz VALPHAYNLGMFHV-ZDUSSCGKSA-N -1 3 386.857 3.161 20 0 GGADHM COc1c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c(C)nn1C ZINC000119273513 564262709 /nfs/dbraw/zinc/26/27/09/564262709.db2.gz YBHMKKVDHCFFER-UHFFFAOYSA-N -1 3 398.699 3.176 20 0 GGADHM CSc1ccccc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449965 564263503 /nfs/dbraw/zinc/26/35/03/564263503.db2.gz AOWPKXKWTQKJJM-UHFFFAOYSA-N -1 3 396.559 3.053 20 0 GGADHM Cc1cc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)n(C)n1 ZINC000011454325 564263668 /nfs/dbraw/zinc/26/36/68/564263668.db2.gz GNMZNKGYRMMTLC-UHFFFAOYSA-N -1 3 378.458 3.194 20 0 GGADHM CCc1sc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1C ZINC000011449779 564264006 /nfs/dbraw/zinc/26/40/06/564264006.db2.gz WXJWEKTZDAGAHC-UHFFFAOYSA-N -1 3 398.575 3.264 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Br ZINC000119310165 564264664 /nfs/dbraw/zinc/26/46/64/564264664.db2.gz ZQWCYDHLLGRJCY-GFCCVEGCSA-N -1 3 388.308 3.485 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011657721 564265046 /nfs/dbraw/zinc/26/50/46/564265046.db2.gz LHRIUKNJNMXKAI-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000012141474 564266299 /nfs/dbraw/zinc/26/62/99/564266299.db2.gz KCBQWSLXPPNPNW-UHFFFAOYSA-N -1 3 385.316 3.330 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000119453981 564272241 /nfs/dbraw/zinc/27/22/41/564272241.db2.gz KPFARZZFFYXBCU-UONOGXRCSA-N -1 3 382.507 3.152 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000119454425 564272294 /nfs/dbraw/zinc/27/22/94/564272294.db2.gz KPFARZZFFYXBCU-KGLIPLIRSA-N -1 3 382.507 3.152 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCCCC[C@@H]1c1ccco1 ZINC000119488684 564273580 /nfs/dbraw/zinc/27/35/80/564273580.db2.gz FPHXHPSCZNONDX-CQSZACIVSA-N -1 3 382.507 3.153 20 0 GGADHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2sccc2Br)cn1 ZINC000119486240 564273606 /nfs/dbraw/zinc/27/36/06/564273606.db2.gz CZKBKWYJBZIDNX-UHFFFAOYSA-N -1 3 391.312 3.171 20 0 GGADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119515977 564274896 /nfs/dbraw/zinc/27/48/96/564274896.db2.gz MZWXUPGBCGULRL-NSHDSACASA-N -1 3 388.536 3.046 20 0 GGADHM Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Br ZINC000119552385 564276473 /nfs/dbraw/zinc/27/64/73/564276473.db2.gz ITOFCOGOPXSTDD-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])cc1F)c1ccc(Br)cc1 ZINC000119535559 564276480 /nfs/dbraw/zinc/27/64/80/564276480.db2.gz ALTYQZLKNSIZOL-MRXNPFEDSA-N -1 3 395.228 3.500 20 0 GGADHM CCCC[C@H](COC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000119593939 564277840 /nfs/dbraw/zinc/27/78/40/564277840.db2.gz SLZFLMXHRVXQPQ-GFCCVEGCSA-N -1 3 381.270 3.226 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000014098646 564279537 /nfs/dbraw/zinc/27/95/37/564279537.db2.gz LLRNJWWLSASPTN-TXEJJXNPSA-N -1 3 395.352 3.160 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCSc1ccccc1F ZINC000014372226 564281480 /nfs/dbraw/zinc/28/14/80/564281480.db2.gz LJNNAISCWAIKCN-UHFFFAOYSA-N -1 3 377.466 3.265 20 0 GGADHM CO[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000119700659 564283834 /nfs/dbraw/zinc/28/38/34/564283834.db2.gz NKSFLMSILRDUFI-INIZCTEOSA-N -1 3 397.244 3.481 20 0 GGADHM COc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000015357866 564286070 /nfs/dbraw/zinc/28/60/70/564286070.db2.gz ZHMIQMKAHMUCBE-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM CNC(=O)NC(=O)CSc1nnc([N-]c2c(C)cc(C)cc2Cl)s1 ZINC000016328430 564292675 /nfs/dbraw/zinc/29/26/75/564292675.db2.gz DRDSAKBIUUEVLV-UHFFFAOYSA-N -1 3 385.902 3.100 20 0 GGADHM Cc1cc(C)c([N-]c2nnc(SCC(=O)N3CCNC3=O)s2)c(Cl)c1 ZINC000016328508 564292688 /nfs/dbraw/zinc/29/26/88/564292688.db2.gz UWMFXYLMNLQYFH-UHFFFAOYSA-N -1 3 397.913 3.196 20 0 GGADHM CC(C)(COc1ncccc1C(F)(F)F)[N-]S(=O)(=O)c1cccs1 ZINC000119903298 564293904 /nfs/dbraw/zinc/29/39/04/564293904.db2.gz JNSCXEQAIKZLIU-UHFFFAOYSA-N -1 3 380.413 3.298 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000017521385 564297973 /nfs/dbraw/zinc/29/79/73/564297973.db2.gz FIQLHZKPSUTVSG-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1F ZINC000017522125 564298235 /nfs/dbraw/zinc/29/82/35/564298235.db2.gz LUIXYUTWOSVCQX-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F ZINC000017332389 564298328 /nfs/dbraw/zinc/29/83/28/564298328.db2.gz TVQRJBCXTVKGBW-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1cccc(F)c1 ZINC000017521952 564298422 /nfs/dbraw/zinc/29/84/22/564298422.db2.gz FYYSGMROGBIIIQ-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000017521606 564298504 /nfs/dbraw/zinc/29/85/04/564298504.db2.gz FTBOMJGQLJMJES-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3c(F)ccc(F)c3F)sc2c1 ZINC000119996696 564298892 /nfs/dbraw/zinc/29/88/92/564298892.db2.gz QTTYATKXAVNEJG-UHFFFAOYSA-N -1 3 386.376 3.369 20 0 GGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cc(Cl)ccc1Cl ZINC000018114302 564300969 /nfs/dbraw/zinc/30/09/69/564300969.db2.gz BFIHTUUWGHMMQJ-UHFFFAOYSA-N -1 3 378.215 3.025 20 0 GGADHM CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000021004479 564308688 /nfs/dbraw/zinc/30/86/88/564308688.db2.gz VBSDFUWUOJWYAL-UHFFFAOYSA-N -1 3 393.336 3.453 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)[C@@H]1CCCO1 ZINC000021221492 564310244 /nfs/dbraw/zinc/31/02/44/564310244.db2.gz HMRIPHJJHAWMRT-INIZCTEOSA-N -1 3 380.853 3.258 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1ccc(F)cc1F ZINC000021968566 564312997 /nfs/dbraw/zinc/31/29/97/564312997.db2.gz DTYADYWVOWBHGW-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000120327590 564315706 /nfs/dbraw/zinc/31/57/06/564315706.db2.gz CBQRYSAZQQNULA-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2cc(OC)c(Br)s2)nc1C ZINC000120472466 564320656 /nfs/dbraw/zinc/32/06/56/564320656.db2.gz DKHOUVVZINEJFX-UHFFFAOYSA-N -1 3 391.268 3.323 20 0 GGADHM O=C(NC1CCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023143301 564322308 /nfs/dbraw/zinc/32/23/08/564322308.db2.gz TXKXSOHHOVCFJV-UHFFFAOYSA-N -1 3 377.293 3.107 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000120544379 564324982 /nfs/dbraw/zinc/32/49/82/564324982.db2.gz AJKMTFYUCJLQMP-UHFFFAOYSA-N -1 3 377.846 3.074 20 0 GGADHM Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000023481977 564325402 /nfs/dbraw/zinc/32/54/02/564325402.db2.gz KEKPDICJWBAEJO-UHFFFAOYSA-N -1 3 391.265 3.482 20 0 GGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)c1ccccc1Cl ZINC000023482311 564325585 /nfs/dbraw/zinc/32/55/85/564325585.db2.gz HOWAELJLRCYOFB-GFCCVEGCSA-N -1 3 384.860 3.025 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000120607233 564328865 /nfs/dbraw/zinc/32/88/65/564328865.db2.gz GNCOKNAOCVATNU-UHFFFAOYSA-N -1 3 377.846 3.074 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)s1 ZINC000024335337 564329605 /nfs/dbraw/zinc/32/96/05/564329605.db2.gz JYMBVFXNIDYWFI-UHFFFAOYSA-N -1 3 378.397 3.149 20 0 GGADHM Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000024335332 564329894 /nfs/dbraw/zinc/32/98/94/564329894.db2.gz QQNROBJXMLQMFX-UHFFFAOYSA-N -1 3 378.397 3.149 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000024485385 564331311 /nfs/dbraw/zinc/33/13/11/564331311.db2.gz KDHOSJAGOFFLQS-LLVKDONJSA-N -1 3 393.408 3.350 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000024881802 564334618 /nfs/dbraw/zinc/33/46/18/564334618.db2.gz ILGYHRHYAFRULK-UHFFFAOYSA-N -1 3 380.853 3.313 20 0 GGADHM CCOc1ccc(SCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024887928 564334845 /nfs/dbraw/zinc/33/48/45/564334845.db2.gz KWZLKPLBLTWKJW-UHFFFAOYSA-N -1 3 380.491 3.188 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000024891454 564334888 /nfs/dbraw/zinc/33/48/88/564334888.db2.gz SIHKIDMBEBBVJH-UHFFFAOYSA-N -1 3 393.515 3.424 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Br)s1 ZINC000024883837 564335027 /nfs/dbraw/zinc/33/50/27/564335027.db2.gz ZWPGMRWHYPTTQK-UHFFFAOYSA-N -1 3 375.269 3.134 20 0 GGADHM CC(=O)Nc1ccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)nc1 ZINC000543026495 564335425 /nfs/dbraw/zinc/33/54/25/564335425.db2.gz YQPCFEMBBAUFNG-UHFFFAOYSA-N -1 3 391.503 3.498 20 0 GGADHM COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(Br)c1 ZINC000025309576 564336653 /nfs/dbraw/zinc/33/66/53/564336653.db2.gz KTTCEZVHURGPQG-INIZCTEOSA-N -1 3 377.238 3.368 20 0 GGADHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000025374389 564337617 /nfs/dbraw/zinc/33/76/17/564337617.db2.gz OCLGPKCXMCTNGQ-UHFFFAOYSA-N -1 3 379.290 3.492 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@H]4CCO[C@@H]4C3(C)C)s2)cs1 ZINC000120902148 564342032 /nfs/dbraw/zinc/34/20/32/564342032.db2.gz WYDYWELSOUXHFA-KMUNFCNLSA-N -1 3 384.548 3.272 20 0 GGADHM Cc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)sc1C ZINC000025902631 564342702 /nfs/dbraw/zinc/34/27/02/564342702.db2.gz LLNGRDBEFZAJEG-UHFFFAOYSA-N -1 3 384.548 3.010 20 0 GGADHM Cc1cscc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000120915099 564343071 /nfs/dbraw/zinc/34/30/71/564343071.db2.gz PPKAZNHSOFDRJE-JTQLQIEISA-N -1 3 392.424 3.381 20 0 GGADHM O=C([N-]c1ccc(Cl)cn1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000026089042 564343493 /nfs/dbraw/zinc/34/34/93/564343493.db2.gz VUPJIVIELQAYTH-UHFFFAOYSA-N -1 3 385.898 3.223 20 0 GGADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000026233961 564344456 /nfs/dbraw/zinc/34/44/56/564344456.db2.gz KBVQROMOTWAZHC-ZDUSSCGKSA-N -1 3 395.352 3.019 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000026238106 564344596 /nfs/dbraw/zinc/34/45/96/564344596.db2.gz ZMFVGHGZHBNGLK-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000120975588 564346068 /nfs/dbraw/zinc/34/60/68/564346068.db2.gz AVQIWZZDFAIVQO-UHFFFAOYSA-N -1 3 395.228 3.166 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000026541538 564347832 /nfs/dbraw/zinc/34/78/32/564347832.db2.gz KNZWNEZTZHVHLU-UHFFFAOYSA-N -1 3 394.758 3.138 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Br)cc1OC ZINC000026527237 564348094 /nfs/dbraw/zinc/34/80/94/564348094.db2.gz LNOKHJZDPHYMIC-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1cc(F)ccc1F ZINC000121021105 564349233 /nfs/dbraw/zinc/34/92/33/564349233.db2.gz QUAUSQFYADTVBB-GFCCVEGCSA-N -1 3 375.418 3.243 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3nccn3C(F)F)s2)cs1 ZINC000121024577 564349347 /nfs/dbraw/zinc/34/93/47/564349347.db2.gz WSPIIHOVXHDXNR-UHFFFAOYSA-N -1 3 390.462 3.250 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCc2sccc2C1 ZINC000026839738 564350515 /nfs/dbraw/zinc/35/05/15/564350515.db2.gz VIINDUANYCYLQM-NSHDSACASA-N -1 3 388.917 3.266 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000026880295 564350920 /nfs/dbraw/zinc/35/09/20/564350920.db2.gz KCWSSJAAEGPXAX-SNVBAGLBSA-N -1 3 390.324 3.429 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3c(C)nn(C)c3C)s2)cs1 ZINC000121090880 564353318 /nfs/dbraw/zinc/35/33/18/564353318.db2.gz YYCCHSYMUWVUBD-UHFFFAOYSA-N -1 3 382.536 3.009 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1ccccc1Br ZINC000121117755 564354284 /nfs/dbraw/zinc/35/42/84/564354284.db2.gz MWTNVOWQTQDYCD-MRXNPFEDSA-N -1 3 399.244 3.310 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H](C)c3cccs3)nc(=O)c2c1C ZINC000027554654 564354923 /nfs/dbraw/zinc/35/49/23/564354923.db2.gz RWDGFLZNCGFPHL-JTQLQIEISA-N -1 3 377.491 3.334 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000027598093 564355272 /nfs/dbraw/zinc/35/52/72/564355272.db2.gz ZPVDRQHNMKFICJ-UHFFFAOYSA-N -1 3 378.759 3.259 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)cc1OC ZINC000027970326 564357868 /nfs/dbraw/zinc/35/78/68/564357868.db2.gz MOSLHMAQSATRAF-UHFFFAOYSA-N -1 3 385.379 3.242 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000027952316 564358159 /nfs/dbraw/zinc/35/81/59/564358159.db2.gz LGNUDNRYXAQZHW-VIFPVBQESA-N -1 3 375.368 3.161 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000028040899 564358836 /nfs/dbraw/zinc/35/88/36/564358836.db2.gz ZGGBONSZOLPYOW-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)ccc1Br ZINC000028021254 564358865 /nfs/dbraw/zinc/35/88/65/564358865.db2.gz YANCCIHGIDCGEA-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM COc1ncccc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000028041450 564359010 /nfs/dbraw/zinc/35/90/10/564359010.db2.gz AGXWBIYFINQDJU-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM O=C(CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)N1CCCC1 ZINC000028261675 564361363 /nfs/dbraw/zinc/36/13/63/564361363.db2.gz OHWSGEWEZGXFLJ-UHFFFAOYSA-N -1 3 375.475 3.100 20 0 GGADHM CCCCNC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028261975 564361968 /nfs/dbraw/zinc/36/19/68/564361968.db2.gz NVLXMFSKFVNLKA-UHFFFAOYSA-N -1 3 377.491 3.394 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)n[n-]1 ZINC000543761233 564362650 /nfs/dbraw/zinc/36/26/50/564362650.db2.gz AXSOYYGTPVFKMR-JTQLQIEISA-N -1 3 380.242 3.166 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)[n-]n1 ZINC000543761233 564362656 /nfs/dbraw/zinc/36/26/56/564362656.db2.gz AXSOYYGTPVFKMR-JTQLQIEISA-N -1 3 380.242 3.166 20 0 GGADHM Cc1cc2sc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)nc2c(C)c1 ZINC000028839533 564364711 /nfs/dbraw/zinc/36/47/11/564364711.db2.gz VLQDKQBVPGDBIU-UHFFFAOYSA-N -1 3 395.531 3.282 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000121370995 564365621 /nfs/dbraw/zinc/36/56/21/564365621.db2.gz LTJCXJPFAJLXPT-UHFFFAOYSA-N -1 3 377.846 3.074 20 0 GGADHM O=C([N-]c1ncc(F)cc1I)c1c(F)ccc(F)c1F ZINC000121449956 564369847 /nfs/dbraw/zinc/36/98/47/564369847.db2.gz JQHVYQCMQWLMMT-UHFFFAOYSA-N -1 3 396.081 3.495 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1c(Cl)cccc1Cl ZINC000029394004 564369974 /nfs/dbraw/zinc/36/99/74/564369974.db2.gz IJESAXVCBBBQHU-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM CCCCN(CC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000029896806 564374849 /nfs/dbraw/zinc/37/48/49/564374849.db2.gz DXDSPVHABYFAKA-LBPRGKRZSA-N -1 3 380.432 3.021 20 0 GGADHM C[C@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCc2sccc2C1 ZINC000029879305 564374993 /nfs/dbraw/zinc/37/49/93/564374993.db2.gz MBBSCXGDFALNOQ-LLVKDONJSA-N -1 3 395.322 3.393 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1cccc2c1N=S=N2 ZINC000121578295 564375821 /nfs/dbraw/zinc/37/58/21/564375821.db2.gz CZCMDUHCDQWNCA-UHFFFAOYSA-N -1 3 380.398 3.367 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000121592873 564376300 /nfs/dbraw/zinc/37/63/00/564376300.db2.gz HZJZODWYBNRHIB-GFCCVEGCSA-N -1 3 386.926 3.357 20 0 GGADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000030338918 564379076 /nfs/dbraw/zinc/37/90/76/564379076.db2.gz GLLQSLJGQRMOPS-JTQLQIEISA-N -1 3 384.910 3.196 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CCc3cccc(Cl)c3)cc2N1 ZINC000030322865 564379142 /nfs/dbraw/zinc/37/91/42/564379142.db2.gz NQNQPFRUYXJYHK-UHFFFAOYSA-N -1 3 399.299 3.399 20 0 GGADHM O=S(=O)([N-]CCCOCC1CCOCC1)c1cccc(Cl)c1Cl ZINC000121658457 564379278 /nfs/dbraw/zinc/37/92/78/564379278.db2.gz QWMKVJHNNUBZFV-UHFFFAOYSA-N -1 3 382.309 3.105 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000030361888 564379613 /nfs/dbraw/zinc/37/96/13/564379613.db2.gz PZMYMLOGRPMOKM-MRXNPFEDSA-N -1 3 382.888 3.422 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000030380677 564379769 /nfs/dbraw/zinc/37/97/69/564379769.db2.gz OCKQMYFNUXTFOD-UHFFFAOYSA-N -1 3 384.954 3.387 20 0 GGADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000030338919 564379883 /nfs/dbraw/zinc/37/98/83/564379883.db2.gz GLLQSLJGQRMOPS-SNVBAGLBSA-N -1 3 384.910 3.196 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)C)s1 ZINC000030378074 564379967 /nfs/dbraw/zinc/37/99/67/564379967.db2.gz ZGLDPCIYLRIQJG-KRWDZBQOSA-N -1 3 380.535 3.102 20 0 GGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000121686765 564381789 /nfs/dbraw/zinc/38/17/89/564381789.db2.gz OFQOPBBZRCRHHD-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000121715816 564382815 /nfs/dbraw/zinc/38/28/15/564382815.db2.gz YOQVJAMAUGUBTM-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000030661633 564383248 /nfs/dbraw/zinc/38/32/48/564383248.db2.gz WUUUFSLASMTLAC-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000030674602 564383707 /nfs/dbraw/zinc/38/37/07/564383707.db2.gz WITKEROREZRHDH-XVKPBYJWSA-N -1 3 386.704 3.337 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)n1 ZINC000121838894 564388749 /nfs/dbraw/zinc/38/87/49/564388749.db2.gz PXNLMHPFNZKQJH-UHFFFAOYSA-N -1 3 383.838 3.481 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000121846874 564389564 /nfs/dbraw/zinc/38/95/64/564389564.db2.gz UIEYNRLGJYHRGE-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM CC(C)[C@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000031717223 564391172 /nfs/dbraw/zinc/39/11/72/564391172.db2.gz SPZLWVIPIZMDCY-NSHDSACASA-N -1 3 381.325 3.165 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)cc1 ZINC000031776387 564392589 /nfs/dbraw/zinc/39/25/89/564392589.db2.gz RCGOVWKAVDUIKU-UHFFFAOYSA-N -1 3 380.853 3.045 20 0 GGADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000031906274 564393301 /nfs/dbraw/zinc/39/33/01/564393301.db2.gz OEMVQKVNLKINGP-JTQLQIEISA-N -1 3 386.832 3.257 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(F)c1 ZINC000032080967 564395348 /nfs/dbraw/zinc/39/53/48/564395348.db2.gz FUZXFITWSPQHAL-UHFFFAOYSA-N -1 3 387.230 3.347 20 0 GGADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc(Br)cc3)cc2N1 ZINC000032097764 564396950 /nfs/dbraw/zinc/39/69/50/564396950.db2.gz BNKMLRXFTVYCHO-UHFFFAOYSA-N -1 3 399.241 3.274 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000032381263 564397820 /nfs/dbraw/zinc/39/78/20/564397820.db2.gz YONONAPQNJKILO-HNNXBMFYSA-N -1 3 380.535 3.320 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cccc(Cl)c1F ZINC000032410327 564398408 /nfs/dbraw/zinc/39/84/08/564398408.db2.gz DLLOSFGJYNMQJM-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000032408697 564398836 /nfs/dbraw/zinc/39/88/36/564398836.db2.gz IINCBHJWCYMAQB-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N1CCc2ccccc2C1 ZINC000032433229 564399279 /nfs/dbraw/zinc/39/92/79/564399279.db2.gz VHLBCDBNWVJUAI-CYBMUJFWSA-N -1 3 382.888 3.204 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1cccc(Cl)c1F ZINC000032434721 564399553 /nfs/dbraw/zinc/39/95/53/564399553.db2.gz PRKSIWYFACVVCQ-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)c(C)c1 ZINC000032415208 564399652 /nfs/dbraw/zinc/39/96/52/564399652.db2.gz LDGFICZILQAKJN-UHFFFAOYSA-N -1 3 384.860 3.321 20 0 GGADHM O=S(=O)([N-]CCCN1CCc2ccccc2C1)c1cccc(Cl)c1F ZINC000032433775 564399727 /nfs/dbraw/zinc/39/97/27/564399727.db2.gz XLKSOVHALADLQA-UHFFFAOYSA-N -1 3 382.888 3.206 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N1CCc2sccc2C1 ZINC000032433910 564399796 /nfs/dbraw/zinc/39/97/96/564399796.db2.gz HNDHFVSRXCWKGD-LLVKDONJSA-N -1 3 388.917 3.266 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c(F)c1 ZINC000032444960 564400534 /nfs/dbraw/zinc/40/05/34/564400534.db2.gz CHLACDRTOMEQEC-OAHLLOKOSA-N -1 3 380.466 3.300 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)cc1OC ZINC000032444984 564400694 /nfs/dbraw/zinc/40/06/94/564400694.db2.gz KXJTWGVCYRGPKU-CYBMUJFWSA-N -1 3 383.466 3.358 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(F)cc1Cl ZINC000032443508 564400760 /nfs/dbraw/zinc/40/07/60/564400760.db2.gz LZJBBWWBHLCFJR-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000122159481 564402595 /nfs/dbraw/zinc/40/25/95/564402595.db2.gz LXBIOCKUDLYDNK-QMMMGPOBSA-N -1 3 391.262 3.103 20 0 GGADHM O=S(=O)([N-]CCNCc1csc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000122182731 564402871 /nfs/dbraw/zinc/40/28/71/564402871.db2.gz LZQWBBUGJFZVSY-UHFFFAOYSA-N -1 3 397.522 3.079 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000032631047 564403745 /nfs/dbraw/zinc/40/37/45/564403745.db2.gz ZWQCCWNMGGZRDO-UHFFFAOYSA-N -1 3 386.267 3.275 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000122200764 564404365 /nfs/dbraw/zinc/40/43/65/564404365.db2.gz JKQBRFCLOGTOOA-UHFFFAOYSA-N -1 3 396.868 3.071 20 0 GGADHM O=S(=O)([N-]CCNCc1cnc(-c2cccs2)s1)c1cccs1 ZINC000122227709 564405345 /nfs/dbraw/zinc/40/53/45/564405345.db2.gz AHWSBLNJXYISJU-UHFFFAOYSA-N -1 3 385.561 3.001 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1sc(C)nc1C ZINC000122271251 564406811 /nfs/dbraw/zinc/40/68/11/564406811.db2.gz CJSHSKOVICJDQF-UHFFFAOYSA-N -1 3 396.515 3.240 20 0 GGADHM COc1c(Cl)cc(Cl)cc1CNCC[N-]S(=O)(=O)c1cccs1 ZINC000122270210 564406946 /nfs/dbraw/zinc/40/69/46/564406946.db2.gz JJCXUBJDANLGEN-UHFFFAOYSA-N -1 3 395.333 3.132 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc(OC2CCCC2)c1)c1cccs1 ZINC000122269762 564407175 /nfs/dbraw/zinc/40/71/75/564407175.db2.gz KGFYIHIXHGBLOL-UHFFFAOYSA-N -1 3 380.535 3.138 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000033017884 564408435 /nfs/dbraw/zinc/40/84/35/564408435.db2.gz NELNATGIXBLNLE-CQSZACIVSA-N -1 3 384.910 3.044 20 0 GGADHM Cc1ccc(-c2nc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cs2)o1 ZINC000032965520 564408503 /nfs/dbraw/zinc/40/85/03/564408503.db2.gz XWMSHXWYUBETBX-UHFFFAOYSA-N -1 3 377.447 3.335 20 0 GGADHM O=S(=O)([N-]c1ccccc1F)c1cccc(I)c1 ZINC000122304826 564408793 /nfs/dbraw/zinc/40/87/93/564408793.db2.gz ORHQYACXBHGWFH-UHFFFAOYSA-N -1 3 377.178 3.231 20 0 GGADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC000122321854 564409159 /nfs/dbraw/zinc/40/91/59/564409159.db2.gz UVIDEUHQEIRJJW-UHFFFAOYSA-N -1 3 393.515 3.312 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Br)cc1 ZINC000034292340 564414071 /nfs/dbraw/zinc/41/40/71/564414071.db2.gz LQLFFKNEKKAESD-SECBINFHSA-N -1 3 388.221 3.215 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000033633418 564414288 /nfs/dbraw/zinc/41/42/88/564414288.db2.gz ONKDCOHIHMUPQT-ZDUSSCGKSA-N -1 3 379.787 3.371 20 0 GGADHM CCc1ncsc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000122464342 564415394 /nfs/dbraw/zinc/41/53/94/564415394.db2.gz WDVOCMZSZAMTEO-UHFFFAOYSA-N -1 3 385.486 3.174 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000036078207 564416255 /nfs/dbraw/zinc/41/62/55/564416255.db2.gz FOGUCKLZQHGDST-LBPRGKRZSA-N -1 3 389.340 3.092 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(F)c(Cl)c1 ZINC000036106237 564416624 /nfs/dbraw/zinc/41/66/24/564416624.db2.gz CWHZTHWXKDXJSD-UHFFFAOYSA-N -1 3 383.253 3.111 20 0 GGADHM 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564464976 /nfs/dbraw/zinc/46/49/76/564464976.db2.gz TWPDICWJXIDJPW-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(Br)c1 ZINC000044253692 564465260 /nfs/dbraw/zinc/46/52/60/564465260.db2.gz PWVKNLZVAWYUBX-UHFFFAOYSA-N -1 3 397.250 3.003 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000123897733 564465530 /nfs/dbraw/zinc/46/55/30/564465530.db2.gz WEEXUXMCAOSSOY-AWEZNQCLSA-N -1 3 385.482 3.219 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)c1 ZINC000044300515 564465772 /nfs/dbraw/zinc/46/57/72/564465772.db2.gz NQOYRQTXEJTKFA-UHFFFAOYSA-N -1 3 384.860 3.321 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000044323635 564467140 /nfs/dbraw/zinc/46/71/40/564467140.db2.gz UMASKNSGKZWBCJ-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)CC[C@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000123970336 564467763 /nfs/dbraw/zinc/46/77/63/564467763.db2.gz AERZPTGDKYMFPQ-OAHLLOKOSA-N -1 3 384.885 3.292 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1ccc(Br)cc1Cl ZINC000044353351 564468156 /nfs/dbraw/zinc/46/81/56/564468156.db2.gz GWPLGNCBLQGJEC-UHFFFAOYSA-N -1 3 392.706 3.058 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1cccs1 ZINC000044570923 564469383 /nfs/dbraw/zinc/46/93/83/564469383.db2.gz FHBGXOZWZBMCKE-UHFFFAOYSA-N -1 3 393.317 3.040 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000124036406 564469469 /nfs/dbraw/zinc/46/94/69/564469469.db2.gz PQPJVIPJTLDQAP-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000124036216 564469846 /nfs/dbraw/zinc/46/98/46/564469846.db2.gz PQPJVIPJTLDQAP-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CN1C1CC1 ZINC000124088413 564471557 /nfs/dbraw/zinc/47/15/57/564471557.db2.gz IBGYLWASUYYZIC-MWLCHTKSSA-N -1 3 393.734 3.006 20 0 GGADHM CCc1nc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)sc1C ZINC000044732712 564472285 /nfs/dbraw/zinc/47/22/85/564472285.db2.gz HHRQQGXNCHUTMI-UHFFFAOYSA-N -1 3 385.536 3.112 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000124155543 564473330 /nfs/dbraw/zinc/47/33/30/564473330.db2.gz QFPFXJYHQAKLOH-UHFFFAOYSA-N -1 3 393.281 3.484 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)sc1Br ZINC000124160879 564473431 /nfs/dbraw/zinc/47/34/31/564473431.db2.gz MEEJPCCYTARBBM-LLVKDONJSA-N -1 3 384.361 3.142 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCc3c(Cl)cccc3C2)ccc1F ZINC000124222897 564474758 /nfs/dbraw/zinc/47/47/58/564474758.db2.gz RKVTUOKCSGVDFE-UHFFFAOYSA-N -1 3 382.844 3.049 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)cc1Cl ZINC000124213964 564475412 /nfs/dbraw/zinc/47/54/12/564475412.db2.gz XCDHLGONGFAWPP-LLVKDONJSA-N -1 3 384.325 3.325 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000045012335 564476419 /nfs/dbraw/zinc/47/64/19/564476419.db2.gz PBUZNOUFXONAJC-NSHDSACASA-N -1 3 375.222 3.146 20 0 GGADHM CCc1cccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1[O-] ZINC000124276228 564476892 /nfs/dbraw/zinc/47/68/92/564476892.db2.gz WQAOYTBXBBAGLA-OAHLLOKOSA-N -1 3 379.865 3.209 20 0 GGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 ZINC000124277149 564476903 /nfs/dbraw/zinc/47/69/03/564476903.db2.gz FJWDNIKHSYJAQZ-OAHLLOKOSA-N -1 3 379.865 3.209 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1F ZINC000124266582 564477117 /nfs/dbraw/zinc/47/71/17/564477117.db2.gz FWNBTXHJAGWSCR-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000124277133 564477228 /nfs/dbraw/zinc/47/72/28/564477228.db2.gz BCSNGZVRTXEOQO-UHFFFAOYSA-N -1 3 377.169 3.388 20 0 GGADHM CC(C)CCN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000124295844 564477637 /nfs/dbraw/zinc/47/76/37/564477637.db2.gz OSGGDUZBNIROOJ-UHFFFAOYSA-N -1 3 381.325 3.166 20 0 GGADHM CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000124309045 564477837 /nfs/dbraw/zinc/47/78/37/564477837.db2.gz ZJWHNDJGPHYDQB-UHFFFAOYSA-N -1 3 398.301 3.267 20 0 GGADHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000045221681 564479766 /nfs/dbraw/zinc/47/97/66/564479766.db2.gz HVMOPDMBQXSFMZ-CQSZACIVSA-N -1 3 386.926 3.337 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000045396287 564483286 /nfs/dbraw/zinc/48/32/86/564483286.db2.gz FIETXRUJFPELIA-UHFFFAOYSA-N -1 3 386.926 3.119 20 0 GGADHM Cc1n[nH]cc1CCCNC(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000045539781 564485337 /nfs/dbraw/zinc/48/53/37/564485337.db2.gz RVHNARUBQPLMMW-UHFFFAOYSA-N -1 3 376.770 3.044 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c1 ZINC000124786152 564492782 /nfs/dbraw/zinc/49/27/82/564492782.db2.gz QUMMICXDLFLHAX-UHFFFAOYSA-N -1 3 380.775 3.173 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000046038048 564493720 /nfs/dbraw/zinc/49/37/20/564493720.db2.gz MXCTVYLJXQVOQN-DOTOQJQBSA-N -1 3 386.583 3.086 20 0 GGADHM Cc1cc([C@H](C)NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c(C)s1 ZINC000046241104 564499600 /nfs/dbraw/zinc/49/96/00/564499600.db2.gz CNZXVOYLZNGKMZ-LBPRGKRZSA-N -1 3 384.498 3.050 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c(C)s1 ZINC000046241103 564499766 /nfs/dbraw/zinc/49/97/66/564499766.db2.gz CNZXVOYLZNGKMZ-GFCCVEGCSA-N -1 3 384.498 3.050 20 0 GGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 ZINC000046294153 564500760 /nfs/dbraw/zinc/50/07/60/564500760.db2.gz WWJZANNTNQGRPT-SNVBAGLBSA-N -1 3 390.889 3.086 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCc3c2cccc3Cl)ccc1F ZINC000125057079 564501743 /nfs/dbraw/zinc/50/17/43/564501743.db2.gz PWWJHBBDKGDWGE-OAHLLOKOSA-N -1 3 382.844 3.268 20 0 GGADHM CNC(=O)c1sc2[n-]c(Cc3cccc(Br)c3)nc(=O)c2c1C ZINC000125356870 564512213 /nfs/dbraw/zinc/51/22/13/564512213.db2.gz DSPCLKHIJBQWAN-UHFFFAOYSA-N -1 3 392.278 3.006 20 0 GGADHM CCc1nnc([N-]C(=O)c2ccc(C(=O)Nc3nnc(CC)s3)s2)s1 ZINC000047075360 564512447 /nfs/dbraw/zinc/51/24/47/564512447.db2.gz AFFVZJVWXVWSGI-UHFFFAOYSA-N -1 3 394.507 3.081 20 0 GGADHM C[C@]1(c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000047167147 564514590 /nfs/dbraw/zinc/51/45/90/564514590.db2.gz AZQXYFOEHHPTEX-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000047167146 564514666 /nfs/dbraw/zinc/51/46/66/564514666.db2.gz AZQXYFOEHHPTEX-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM COC(=O)Cc1csc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)n1 ZINC000125451581 564515079 /nfs/dbraw/zinc/51/50/79/564515079.db2.gz REEBPKCWNSQHHB-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)Cc1csc(NC(=O)c2cn[n-]c2-c2cccc(Cl)c2)n1 ZINC000125451581 564515083 /nfs/dbraw/zinc/51/50/83/564515083.db2.gz REEBPKCWNSQHHB-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1=O ZINC000047211688 564515580 /nfs/dbraw/zinc/51/55/80/564515580.db2.gz ZFDYUPFYTXOPHV-UHFFFAOYSA-N -1 3 380.775 3.341 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3Br)c(F)cc2N1 ZINC000047328550 564518111 /nfs/dbraw/zinc/51/81/11/564518111.db2.gz NVJUPLKIXBSLCQ-UHFFFAOYSA-N -1 3 399.241 3.274 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(Br)c1 ZINC000047327515 564518377 /nfs/dbraw/zinc/51/83/77/564518377.db2.gz UBXUECGSVJGIFL-UHFFFAOYSA-N -1 3 399.248 3.084 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Cn1cccn1 ZINC000047413644 564519490 /nfs/dbraw/zinc/51/94/90/564519490.db2.gz KXNJYYULYBLLCF-SNVBAGLBSA-N -1 3 381.807 3.170 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Cn1cccn1 ZINC000047413549 564519605 /nfs/dbraw/zinc/51/96/05/564519605.db2.gz YWJNBGJWADBMFI-JTQLQIEISA-N -1 3 381.807 3.170 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc3ccc(Cl)cc3s2)o1 ZINC000047440842 564521115 /nfs/dbraw/zinc/52/11/15/564521115.db2.gz WBOZOIGLSNXEGP-UHFFFAOYSA-N -1 3 385.854 3.045 20 0 GGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552649 564522707 /nfs/dbraw/zinc/52/27/07/564522707.db2.gz FPZGHFPXIYRTPU-GFCCVEGCSA-N -1 3 378.881 3.072 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2ncc(-c3ccc(Br)cc3)o2)[n-]1 ZINC000125744374 564524423 /nfs/dbraw/zinc/52/44/23/564524423.db2.gz ACDRZYDIXDLHLR-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2ncc(-c3ccc(Br)cc3)o2)n1 ZINC000125744374 564524430 /nfs/dbraw/zinc/52/44/30/564524430.db2.gz ACDRZYDIXDLHLR-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000047668930 564525071 /nfs/dbraw/zinc/52/50/71/564525071.db2.gz KYSINFWHYNMELB-UHFFFAOYSA-N -1 3 381.807 3.232 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000047910180 564527825 /nfs/dbraw/zinc/52/78/25/564527825.db2.gz ZIBZSVUCJNBNBZ-MRVPVSSYSA-N -1 3 379.290 3.360 20 0 GGADHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000047991940 564529670 /nfs/dbraw/zinc/52/96/70/564529670.db2.gz UYAUCYGSVILQHT-UHFFFAOYSA-N -1 3 395.289 3.166 20 0 GGADHM CCCCN1CCC([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000048087081 564531531 /nfs/dbraw/zinc/53/15/31/564531531.db2.gz ZQCTUOMSQMVVJN-UHFFFAOYSA-N -1 3 381.361 3.053 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1-n1nc(C)cc1C ZINC000125943330 564532326 /nfs/dbraw/zinc/53/23/26/564532326.db2.gz CNVAIVUKSSZPRL-UHFFFAOYSA-N -1 3 377.491 3.038 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000125965744 564532336 /nfs/dbraw/zinc/53/23/36/564532336.db2.gz ZOMUWTJEJJODNQ-ZDUSSCGKSA-N -1 3 389.249 3.142 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)NC(=O)[N-]C1=O ZINC000048167823 564532627 /nfs/dbraw/zinc/53/26/27/564532627.db2.gz NOTBTWLVVGDTKX-OAHLLOKOSA-N -1 3 384.244 3.362 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)s1 ZINC000126010446 564533904 /nfs/dbraw/zinc/53/39/04/564533904.db2.gz YAANQRFCEGXTSF-MRXNPFEDSA-N -1 3 378.519 3.085 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)c([O-])c1 ZINC000048323729 564536313 /nfs/dbraw/zinc/53/63/13/564536313.db2.gz BNCHJUXDWCJAEW-VIFPVBQESA-N -1 3 383.267 3.282 20 0 GGADHM CCOC(=O)CC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000126134207 564537859 /nfs/dbraw/zinc/53/78/59/564537859.db2.gz XHIXKLAKVPAXOL-UHFFFAOYSA-N -1 3 399.285 3.030 20 0 GGADHM C[C@@](CO)(NC(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000126145943 564538775 /nfs/dbraw/zinc/53/87/75/564538775.db2.gz JRYJPEYKOUYVDG-KRWDZBQOSA-N -1 3 385.302 3.285 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1(CCO)CCCCC1 ZINC000126149254 564538951 /nfs/dbraw/zinc/53/89/51/564538951.db2.gz XOVFQFQOYDGBGG-UHFFFAOYSA-N -1 3 385.302 3.287 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)cc1Cl ZINC000126150976 564539254 /nfs/dbraw/zinc/53/92/54/564539254.db2.gz KBPFSEWFMLIWAK-CQSZACIVSA-N -1 3 380.894 3.002 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2ccc(C(N)=O)cc2)c1Cl ZINC000048438908 564539603 /nfs/dbraw/zinc/53/96/03/564539603.db2.gz WPXUMSPQFFWIAZ-UHFFFAOYSA-N -1 3 387.288 3.188 20 0 GGADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000126177368 564539710 /nfs/dbraw/zinc/53/97/10/564539710.db2.gz KIJWXJQWUJAJTF-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM CN(CCC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126183674 564539994 /nfs/dbraw/zinc/53/99/94/564539994.db2.gz XSTFNHVNEWTUTH-UHFFFAOYSA-N -1 3 387.274 3.028 20 0 GGADHM COC(=O)CCC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000126202477 564540979 /nfs/dbraw/zinc/54/09/79/564540979.db2.gz TWXZTMQVZREOAN-UHFFFAOYSA-N -1 3 399.285 3.030 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000126253003 564542571 /nfs/dbraw/zinc/54/25/71/564542571.db2.gz OAUCVKUVPWTCCL-ONGXEEELSA-N -1 3 382.835 3.262 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000048554798 564542661 /nfs/dbraw/zinc/54/26/61/564542661.db2.gz BWMJBKXPZMIVSY-JTQLQIEISA-N -1 3 390.324 3.429 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000126291691 564543678 /nfs/dbraw/zinc/54/36/78/564543678.db2.gz XLVJCBIDERBTRM-JKSUJKDBSA-N -1 3 386.583 3.310 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)s1 ZINC000126291455 564543882 /nfs/dbraw/zinc/54/38/82/564543882.db2.gz NYTUMLPTDXCMOM-NSHDSACASA-N -1 3 386.564 3.145 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](CCO)C1CCCCC1 ZINC000126289366 564543916 /nfs/dbraw/zinc/54/39/16/564543916.db2.gz ACVNAOBJLGTJKJ-HNNXBMFYSA-N -1 3 385.302 3.285 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000126292192 564544037 /nfs/dbraw/zinc/54/40/37/564544037.db2.gz XLVJCBIDERBTRM-HZPDHXFCSA-N -1 3 386.583 3.310 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1cccnc1)C1CC1 ZINC000126304621 564544524 /nfs/dbraw/zinc/54/45/24/564544524.db2.gz KZGQJLGTGWYVFQ-UHFFFAOYSA-N -1 3 376.254 3.424 20 0 GGADHM COCCN(Cc1ccc(C)o1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126328861 564545406 /nfs/dbraw/zinc/54/54/06/564545406.db2.gz ZUNOQEIXEFROFU-UHFFFAOYSA-N -1 3 397.269 3.414 20 0 GGADHM C[S@@](=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000126415202 564548469 /nfs/dbraw/zinc/54/84/69/564548469.db2.gz GRJUWMJRJGOKIQ-QFIPXVFZSA-N -1 3 383.267 3.214 20 0 GGADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000049239447 564550450 /nfs/dbraw/zinc/55/04/50/564550450.db2.gz YYQHGLWVEPXTBN-YUMQZZPRSA-N -1 3 383.105 3.146 20 0 GGADHM COCCCOc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000126507238 564551526 /nfs/dbraw/zinc/55/15/26/564551526.db2.gz JDHFMQGGIVYHCR-UHFFFAOYSA-N -1 3 381.226 3.217 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126593818 564554025 /nfs/dbraw/zinc/55/40/25/564554025.db2.gz XZVFRTSXNRAFDX-CHWSQXEVSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126593818 564554027 /nfs/dbraw/zinc/55/40/27/564554027.db2.gz XZVFRTSXNRAFDX-CHWSQXEVSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126593818 564554030 /nfs/dbraw/zinc/55/40/30/564554030.db2.gz XZVFRTSXNRAFDX-CHWSQXEVSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(N2CCCNC2=O)c1 ZINC000126642708 564556254 /nfs/dbraw/zinc/55/62/54/564556254.db2.gz HYCPQGHOIXHTRC-UHFFFAOYSA-N -1 3 390.237 3.327 20 0 GGADHM NC(=O)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000126663281 564557006 /nfs/dbraw/zinc/55/70/06/564557006.db2.gz RYBDTGRPUOKSKZ-UHFFFAOYSA-N -1 3 393.679 3.224 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1I)c1cccc(F)c1 ZINC000127979867 564602586 /nfs/dbraw/zinc/60/25/86/564602586.db2.gz ICAPNQNQQSCDKR-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(CN2CCOCC2)c1 ZINC000126712133 564558814 /nfs/dbraw/zinc/55/88/14/564558814.db2.gz JBPJKKFMPXYOMU-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126712921 564558970 /nfs/dbraw/zinc/55/89/70/564558970.db2.gz SQQJZOCMMPHYSR-NSHDSACASA-N -1 3 377.238 3.220 20 0 GGADHM CCCC(C)(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000050808528 564561244 /nfs/dbraw/zinc/56/12/44/564561244.db2.gz SEKXKASPFNMBCN-NSHDSACASA-N -1 3 380.432 3.067 20 0 GGADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1n[nH]c(C2CC2)c1Br ZINC000518897318 564564989 /nfs/dbraw/zinc/56/49/89/564564989.db2.gz YXSPTEXNVSIXBZ-UHFFFAOYSA-N -1 3 391.254 3.215 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCCC(C)C)cc1F ZINC000126882660 564566424 /nfs/dbraw/zinc/56/64/24/564566424.db2.gz QFDUCUSOJXSOCR-ZDUSSCGKSA-N -1 3 394.534 3.080 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)CCc3ccc(Cl)s3)cc2)NC(=O)[N-]C1=O ZINC000052663742 564575330 /nfs/dbraw/zinc/57/53/30/564575330.db2.gz SYSSBEFTYUCMAS-KRWDZBQOSA-N -1 3 377.853 3.027 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000127247844 564577715 /nfs/dbraw/zinc/57/77/15/564577715.db2.gz QICJFHAGVAYWOT-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)c(Br)c1)c1cc2ccccc2o1 ZINC000127263247 564578983 /nfs/dbraw/zinc/57/89/83/564578983.db2.gz DEJQBAPHLAXYOR-UHFFFAOYSA-N -1 3 382.235 3.379 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cc(F)ccc1Cl ZINC000127276256 564579220 /nfs/dbraw/zinc/57/92/20/564579220.db2.gz YFPJUFFMEJSMJT-UHFFFAOYSA-N -1 3 394.649 3.426 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nnsc2Cl)CC1 ZINC000053019786 564581204 /nfs/dbraw/zinc/58/12/04/564581204.db2.gz DNDMYIOJQQOPRT-UHFFFAOYSA-N -1 3 387.292 3.401 20 0 GGADHM CCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000053130706 564582128 /nfs/dbraw/zinc/58/21/28/564582128.db2.gz QOZQQQUPKBPSSE-UHFFFAOYSA-N -1 3 392.424 3.403 20 0 GGADHM CCCc1csc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 ZINC000127389501 564582933 /nfs/dbraw/zinc/58/29/33/564582933.db2.gz QXAXAKYAQJJKHW-UHFFFAOYSA-N -1 3 385.536 3.194 20 0 GGADHM CCN(CC)c1nc2sc(C(=O)NN=c3nc(C)cc(C)[n-]3)cc2s1 ZINC000053273541 564583995 /nfs/dbraw/zinc/58/39/95/564583995.db2.gz DJLGEEOMBQLDEU-UHFFFAOYSA-N -1 3 376.511 3.368 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000053308011 564585153 /nfs/dbraw/zinc/58/51/53/564585153.db2.gz KEDFFUWMGBKKPZ-UHFFFAOYSA-N -1 3 377.853 3.305 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc2ncccc2c1)c1ccc(Cl)s1 ZINC000127755993 564594608 /nfs/dbraw/zinc/59/46/08/564594608.db2.gz LVWSIFULPPKYQL-UHFFFAOYSA-N -1 3 381.910 3.018 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1CCSCC1 ZINC000053802811 564595100 /nfs/dbraw/zinc/59/51/00/564595100.db2.gz DATFLLDQQIADQY-UHFFFAOYSA-N -1 3 396.921 3.330 20 0 GGADHM COc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000127776012 564595578 /nfs/dbraw/zinc/59/55/78/564595578.db2.gz AWPHWGMVCYUJKJ-UHFFFAOYSA-N -1 3 395.333 3.132 20 0 GGADHM COc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000127794920 564596227 /nfs/dbraw/zinc/59/62/27/564596227.db2.gz NQCRUAOFIAXVIO-UHFFFAOYSA-N -1 3 383.231 3.418 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)s2)CC1)c1cccs1 ZINC000054146693 564599394 /nfs/dbraw/zinc/59/93/94/564599394.db2.gz RZKWKJVSFILBGJ-UHFFFAOYSA-N -1 3 376.956 3.406 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000054197280 564600387 /nfs/dbraw/zinc/60/03/87/564600387.db2.gz HPWMMJPBMTULLM-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM Cc1cccc(NC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000054209663 564601226 /nfs/dbraw/zinc/60/12/26/564601226.db2.gz XKPVHZLRCXMPDG-UHFFFAOYSA-N -1 3 379.507 3.031 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)cc2I)c1 ZINC000127946701 564601833 /nfs/dbraw/zinc/60/18/33/564601833.db2.gz QRTRNXJNRUZRHW-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM CN(C)c1nc2sc(C(=O)[N-]c3ccccc3SCC(N)=O)cc2s1 ZINC000054275442 564602073 /nfs/dbraw/zinc/60/20/73/564602073.db2.gz GSBVGBUCSQXRFV-UHFFFAOYSA-N -1 3 392.531 3.254 20 0 GGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000128060826 564605293 /nfs/dbraw/zinc/60/52/93/564605293.db2.gz VCMMARQQLAMTLN-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000128060826 564605296 /nfs/dbraw/zinc/60/52/96/564605296.db2.gz VCMMARQQLAMTLN-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000128060826 564605300 /nfs/dbraw/zinc/60/53/00/564605300.db2.gz VCMMARQQLAMTLN-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM O=C(CSc1cc(Cl)ccc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000128173283 564609734 /nfs/dbraw/zinc/60/97/34/564609734.db2.gz DTWKZCAGNLSNKS-UHFFFAOYSA-N -1 3 399.299 3.337 20 0 GGADHM CN(CC(=O)Nc1cccc([O-])c1F)C(=O)c1ccc(Br)s1 ZINC000128201853 564610718 /nfs/dbraw/zinc/61/07/18/564610718.db2.gz MVAGJRZBBJAWMB-UHFFFAOYSA-N -1 3 387.230 3.066 20 0 GGADHM CCc1nnc([N-]C(=O)c2nnn(-c3cccc(Br)c3)c2C)s1 ZINC000054869853 564611000 /nfs/dbraw/zinc/61/10/00/564611000.db2.gz ABXSNUZWKURZHW-UHFFFAOYSA-N -1 3 393.270 3.004 20 0 GGADHM CC(C)CC[C@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000055070226 564614666 /nfs/dbraw/zinc/61/46/66/564614666.db2.gz CQSKRXDSYFXCGA-AWEZNQCLSA-N -1 3 387.571 3.025 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccccc2Br)c1 ZINC000055111890 564614745 /nfs/dbraw/zinc/61/47/45/564614745.db2.gz ZPFKARQNZYFJGI-UHFFFAOYSA-N -1 3 377.238 3.385 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000128374870 564615978 /nfs/dbraw/zinc/61/59/78/564615978.db2.gz ZLFRGIPONGMCNI-UHFFFAOYSA-N -1 3 377.319 3.054 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Cl)cc3cccnc32)s1 ZINC000128388090 564616944 /nfs/dbraw/zinc/61/69/44/564616944.db2.gz OXJPRHKWOTXIFZ-UHFFFAOYSA-N -1 3 376.825 3.098 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000055243013 564617238 /nfs/dbraw/zinc/61/72/38/564617238.db2.gz KXKWBSLXTYOJEH-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCC(=O)N2CCCCC2)c1Cl ZINC000055257260 564617977 /nfs/dbraw/zinc/61/79/77/564617977.db2.gz XGQSSWUVXJUTLK-UHFFFAOYSA-N -1 3 393.336 3.291 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1 ZINC000055259711 564617995 /nfs/dbraw/zinc/61/79/95/564617995.db2.gz KXNVAHFQQDKAPH-NSHDSACASA-N -1 3 391.265 3.474 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000128541768 564621643 /nfs/dbraw/zinc/62/16/43/564621643.db2.gz BTCIWADYLHCFIA-UHFFFAOYSA-N -1 3 376.825 3.098 20 0 GGADHM O=C(Cc1nc(=O)c2c3c(sc2[n-]1)CCC3)Nc1ccc(F)c(Cl)c1 ZINC000055493716 564622266 /nfs/dbraw/zinc/62/22/66/564622266.db2.gz KUCDVLFNGQKWAF-UHFFFAOYSA-N -1 3 377.828 3.447 20 0 GGADHM COC(=O)c1sc2[n-]c(CC(=O)c3cccc(Cl)c3)nc(=O)c2c1C ZINC000055504231 564622358 /nfs/dbraw/zinc/62/23/58/564622358.db2.gz AQVZBVFASJDNDS-UHFFFAOYSA-N -1 3 376.821 3.158 20 0 GGADHM O=C(Cc1nc(=O)c2c([n-]1)sc1c2CCSC1)Nc1ccccc1F ZINC000055503776 564622461 /nfs/dbraw/zinc/62/24/61/564622461.db2.gz GFEFESXSSMLNLV-UHFFFAOYSA-N -1 3 375.450 3.094 20 0 GGADHM C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CSCC3 ZINC000055503786 564622639 /nfs/dbraw/zinc/62/26/39/564622639.db2.gz VBDUQYCUBMRFFP-ZYHUDNBSSA-N -1 3 377.535 3.011 20 0 GGADHM Cc1noc(C)c1C[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000128581391 564622671 /nfs/dbraw/zinc/62/26/71/564622671.db2.gz HFPUAYGVJWSVSE-VIFPVBQESA-N -1 3 382.258 3.190 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)s3)c(C)c2)CC1 ZINC000128671768 564625476 /nfs/dbraw/zinc/62/54/76/564625476.db2.gz QMQRWRHRTXEHOF-UHFFFAOYSA-N -1 3 379.551 3.308 20 0 GGADHM CN(C)C(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000128660726 564625784 /nfs/dbraw/zinc/62/57/84/564625784.db2.gz YCZKCCIIRFUAQL-UHFFFAOYSA-N -1 3 393.317 3.235 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000055619310 564626480 /nfs/dbraw/zinc/62/64/80/564626480.db2.gz WASPXKAIPXHRKH-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM Cc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c([O-])c1 ZINC000128776111 564629027 /nfs/dbraw/zinc/62/90/27/564629027.db2.gz ROPGRZQURREWKM-UHFFFAOYSA-N -1 3 377.238 3.174 20 0 GGADHM O=C(c1ccc(F)cc1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000128773537 564629037 /nfs/dbraw/zinc/62/90/37/564629037.db2.gz NPBCPFKUZKEFRR-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)cc1 ZINC000055676915 564629536 /nfs/dbraw/zinc/62/95/36/564629536.db2.gz HSRKFDHBLONTKG-UHFFFAOYSA-N -1 3 381.841 3.058 20 0 GGADHM O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1cccc([O-])c1F ZINC000128770564 564629626 /nfs/dbraw/zinc/62/96/26/564629626.db2.gz KKXRQGYPYYNHDO-UHFFFAOYSA-N -1 3 378.816 3.496 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000128799132 564630169 /nfs/dbraw/zinc/63/01/69/564630169.db2.gz RHASHNGVFPLIKN-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C)cc3Br)cc12 ZINC000128955653 564634403 /nfs/dbraw/zinc/63/44/03/564634403.db2.gz RBNIRFVBHYRCME-UHFFFAOYSA-N -1 3 382.239 3.403 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000129053868 564637019 /nfs/dbraw/zinc/63/70/19/564637019.db2.gz ZLMMEJKTJMJOGV-SNVBAGLBSA-N -1 3 392.424 3.158 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1Cl ZINC000056071138 564639157 /nfs/dbraw/zinc/63/91/57/564639157.db2.gz YHPXZRVGRLQGPD-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM CO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000056070360 564639310 /nfs/dbraw/zinc/63/93/10/564639310.db2.gz NVJKDHJHHUSCRL-LBPRGKRZSA-N -1 3 382.869 3.423 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)ccc1F ZINC000129138237 564639316 /nfs/dbraw/zinc/63/93/16/564639316.db2.gz TVSPKJPQAIZHHS-AWEZNQCLSA-N -1 3 382.379 3.184 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)ccc1C ZINC000129150452 564639332 /nfs/dbraw/zinc/63/93/32/564639332.db2.gz OPGHZQXDIUHKII-OAHLLOKOSA-N -1 3 378.416 3.353 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c(Cl)c1Cl ZINC000129132215 564639549 /nfs/dbraw/zinc/63/95/49/564639549.db2.gz IOUSSDHQXDKVEN-MXWKQRLJSA-N -1 3 380.293 3.238 20 0 GGADHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl ZINC000056074672 564639554 /nfs/dbraw/zinc/63/95/54/564639554.db2.gz KGPOFQILVJSSFX-UHFFFAOYSA-N -1 3 390.244 3.079 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000056064071 564639663 /nfs/dbraw/zinc/63/96/63/564639663.db2.gz AZPIYXGKJPDHFC-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)ccc1F ZINC000129138464 564639975 /nfs/dbraw/zinc/63/99/75/564639975.db2.gz TVSPKJPQAIZHHS-CQSZACIVSA-N -1 3 382.379 3.184 20 0 GGADHM CCCNC(=O)c1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000056075754 564640513 /nfs/dbraw/zinc/64/05/13/564640513.db2.gz FZFHVTNKTLEBAD-UHFFFAOYSA-N -1 3 384.860 3.097 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1 ZINC000056124434 564641977 /nfs/dbraw/zinc/64/19/77/564641977.db2.gz QEZIOHCKTGBFCD-UHFFFAOYSA-N -1 3 388.823 3.315 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2cccn2)c1)c1ccc(Cl)cc1F ZINC000056140337 564642728 /nfs/dbraw/zinc/64/27/28/564642728.db2.gz VDHNUABSFZXDTM-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2cccn2)c1)c1ccc(F)cc1Cl ZINC000056140302 564643057 /nfs/dbraw/zinc/64/30/57/564643057.db2.gz JHWWLIHCEFOHCZ-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC1CCCCC1 ZINC000056137336 564643188 /nfs/dbraw/zinc/64/31/88/564643188.db2.gz ILNUASTVEWPESR-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)sc1Br ZINC000129318464 564645572 /nfs/dbraw/zinc/64/55/72/564645572.db2.gz OOQQFTITRJYBPC-GMTAPVOTSA-N -1 3 380.329 3.055 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cccc([O-])c1F ZINC000129311929 564645808 /nfs/dbraw/zinc/64/58/08/564645808.db2.gz UJJMLIUDAQRJAU-SSDOTTSWSA-N -1 3 387.230 3.112 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000056379024 564647508 /nfs/dbraw/zinc/64/75/08/564647508.db2.gz TWZUTDOVPQPZTD-LBPRGKRZSA-N -1 3 398.937 3.264 20 0 GGADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000056409816 564648026 /nfs/dbraw/zinc/64/80/26/564648026.db2.gz YLMOLPDLNPRDBQ-LBPRGKRZSA-N -1 3 380.491 3.186 20 0 GGADHM Cc1cc(Br)ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000056409792 564648273 /nfs/dbraw/zinc/64/82/73/564648273.db2.gz MEFBSCAHOJTKON-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C1CCC1 ZINC000129653103 564654998 /nfs/dbraw/zinc/65/49/98/564654998.db2.gz BUJCEFCSLHMIDT-LLVKDONJSA-N -1 3 384.548 3.207 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)s1 ZINC000057021621 564656818 /nfs/dbraw/zinc/65/68/18/564656818.db2.gz VYEOXKMWNMZBRZ-MRXNPFEDSA-N -1 3 398.937 3.046 20 0 GGADHM COc1ccc(-n2ccc(C[N-]S(=O)(=O)c3ccccc3Cl)n2)cc1 ZINC000057015084 564657107 /nfs/dbraw/zinc/65/71/07/564657107.db2.gz LXBUXYPCCGPGDB-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)COc1ccccc1C(F)(F)F ZINC000057018667 564657331 /nfs/dbraw/zinc/65/73/31/564657331.db2.gz HEGDWQPXAYQDLE-SECBINFHSA-N -1 3 378.372 3.056 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)cc1OC ZINC000057021574 564657400 /nfs/dbraw/zinc/65/74/00/564657400.db2.gz RFFIFIXBZUBYCX-AWEZNQCLSA-N -1 3 385.844 3.462 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)COc1ccccc1C(F)(F)F ZINC000057018666 564657440 /nfs/dbraw/zinc/65/74/40/564657440.db2.gz HEGDWQPXAYQDLE-VIFPVBQESA-N -1 3 378.372 3.056 20 0 GGADHM CSc1ccc([C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000057035650 564657930 /nfs/dbraw/zinc/65/79/30/564657930.db2.gz DPZUEEQYPTVNLG-VXGBXAGGSA-N -1 3 384.548 3.014 20 0 GGADHM CC[C@@H]1CCc2nc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)sc2C1 ZINC000057179652 564662623 /nfs/dbraw/zinc/66/26/23/564662623.db2.gz MSWMWVZWTCEFSY-LLVKDONJSA-N -1 3 379.507 3.282 20 0 GGADHM CCC(CC)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cccs1 ZINC000057255321 564664465 /nfs/dbraw/zinc/66/44/65/564664465.db2.gz DXMDYALJTZKVJQ-MRXNPFEDSA-N -1 3 386.564 3.382 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000129912941 564664779 /nfs/dbraw/zinc/66/47/79/564664779.db2.gz LGODGXMXBNUGNH-UHFFFAOYSA-N -1 3 399.310 3.190 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C3SCCS3)c2)c(=O)[n-]1 ZINC000057813390 564674528 /nfs/dbraw/zinc/67/45/28/564674528.db2.gz LKSKXXGSWIAUKK-UHFFFAOYSA-N -1 3 375.519 3.437 20 0 GGADHM Cc1ccc(NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)nc1 ZINC000130268071 564675041 /nfs/dbraw/zinc/67/50/41/564675041.db2.gz JHABQTGVHJKNDP-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000057822560 564675688 /nfs/dbraw/zinc/67/56/88/564675688.db2.gz TYOPDGTYIBJYQB-GFCCVEGCSA-N -1 3 378.475 3.040 20 0 GGADHM O=S(=O)([N-]CCCc1nc(-c2ccncc2)cs1)c1ccccc1F ZINC000057874286 564676085 /nfs/dbraw/zinc/67/60/85/564676085.db2.gz JAYUQSFYNBHKQG-UHFFFAOYSA-N -1 3 377.466 3.255 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)Cc1csc2ccccc12 ZINC000058281154 564681537 /nfs/dbraw/zinc/68/15/37/564681537.db2.gz HPWCUYWMGJWLHG-LBPRGKRZSA-N -1 3 394.543 3.288 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N1CCSCC1 ZINC000058370458 564682444 /nfs/dbraw/zinc/68/24/44/564682444.db2.gz VDLFMDXMXLWTRP-UHFFFAOYSA-N -1 3 396.921 3.330 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000130488960 564682792 /nfs/dbraw/zinc/68/27/92/564682792.db2.gz UAKCAYKTLQMKKB-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)s1 ZINC000130673755 564689302 /nfs/dbraw/zinc/68/93/02/564689302.db2.gz RZEKPCBUKRNCRD-MRVPVSSYSA-N -1 3 377.846 3.367 20 0 GGADHM CS[C@@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000130666828 564689322 /nfs/dbraw/zinc/68/93/22/564689322.db2.gz WPZDJWVPQIMLAM-LBPRGKRZSA-N -1 3 382.482 3.108 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(Cl)c(F)c1 ZINC000058939249 564691564 /nfs/dbraw/zinc/69/15/64/564691564.db2.gz ZSAUKMVOOCHSDR-UHFFFAOYSA-N -1 3 392.786 3.064 20 0 GGADHM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000060093466 564694664 /nfs/dbraw/zinc/69/46/64/564694664.db2.gz CVKRNEKZQMMMPV-NSHDSACASA-N -1 3 382.869 3.375 20 0 GGADHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000060244306 564695913 /nfs/dbraw/zinc/69/59/13/564695913.db2.gz WOUGKQRPLBUJSN-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000060300995 564696827 /nfs/dbraw/zinc/69/68/27/564696827.db2.gz YTLWCZDDRXXTTH-UHFFFAOYSA-N -1 3 377.809 3.419 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000131001092 564698698 /nfs/dbraw/zinc/69/86/98/564698698.db2.gz LZSICJUOLJZXFM-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CCN(CC)C(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCCC1 ZINC000060510272 564699053 /nfs/dbraw/zinc/69/90/53/564699053.db2.gz BMTXJGCQJADUOR-UHFFFAOYSA-N -1 3 390.908 3.329 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1F ZINC000131099307 564700553 /nfs/dbraw/zinc/70/05/53/564700553.db2.gz SFEWYUVMYQTSPO-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM O=C(NCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000131124186 564701348 /nfs/dbraw/zinc/70/13/48/564701348.db2.gz QRLOZPDQZUHDLH-UHFFFAOYSA-N -1 3 393.317 3.153 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1ccc(F)cc1Cl ZINC000131143879 564702346 /nfs/dbraw/zinc/70/23/46/564702346.db2.gz FIOQOWUUJQNWOD-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM O=C(Nc1ccc(O)cc1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000131148994 564702503 /nfs/dbraw/zinc/70/25/03/564702503.db2.gz DPIQUSRQJWHYJD-UHFFFAOYSA-N -1 3 394.499 3.246 20 0 GGADHM CCN(Cc1cccs1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000060941914 564703164 /nfs/dbraw/zinc/70/31/64/564703164.db2.gz CVSNFLYNYSDOAW-UHFFFAOYSA-N -1 3 377.491 3.163 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1csc(-c2ccsc2)n1 ZINC000061413991 564706043 /nfs/dbraw/zinc/70/60/43/564706043.db2.gz CZHMUHDBMZQEEG-UHFFFAOYSA-N -1 3 379.488 3.342 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCOc1ccc(Cl)cc1Cl ZINC000061413104 564706244 /nfs/dbraw/zinc/70/62/44/564706244.db2.gz WJRRPRGDCHAHEW-UHFFFAOYSA-N -1 3 389.260 3.343 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2c(cc1F)NC(=O)CC2 ZINC000131407977 564711147 /nfs/dbraw/zinc/71/11/47/564711147.db2.gz UFDINLYXVGPBSD-UHFFFAOYSA-N -1 3 379.185 3.431 20 0 GGADHM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000131435232 564711758 /nfs/dbraw/zinc/71/17/58/564711758.db2.gz JUMHZXRVCUKJBF-LBPRGKRZSA-N -1 3 398.301 3.171 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(Cl)cc1F ZINC000063197702 564715084 /nfs/dbraw/zinc/71/50/84/564715084.db2.gz ULQKIXJITNNBQM-UHFFFAOYSA-N -1 3 383.807 3.282 20 0 GGADHM O=C(Cc1ccccc1Cl)Nc1nc(-c2ccc(Br)cc2)n[n-]1 ZINC000063497390 564717622 /nfs/dbraw/zinc/71/76/22/564717622.db2.gz SVKGPJBCNNTBRV-UHFFFAOYSA-N -1 3 391.656 3.491 20 0 GGADHM O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2[N-]C(=O)CCC2=O)cc1 ZINC000063567853 564718715 /nfs/dbraw/zinc/71/87/15/564718715.db2.gz GMZFIVIPPQAHCQ-UHFFFAOYSA-N -1 3 378.215 3.404 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CN(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131755699 564722999 /nfs/dbraw/zinc/72/29/99/564722999.db2.gz BCKZYTAFGDWQDD-UHFFFAOYSA-N -1 3 376.869 3.017 20 0 GGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000063879750 564724427 /nfs/dbraw/zinc/72/44/27/564724427.db2.gz NPMZORYBBGBJRL-UHFFFAOYSA-N -1 3 381.519 3.231 20 0 GGADHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000131848827 564725869 /nfs/dbraw/zinc/72/58/69/564725869.db2.gz IIPYCSJOYUSPQN-NEPJUHHUSA-N -1 3 393.336 3.166 20 0 GGADHM C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000131849431 564726061 /nfs/dbraw/zinc/72/60/61/564726061.db2.gz IIPYCSJOYUSPQN-NWDGAFQWSA-N -1 3 393.336 3.166 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000131835470 564726287 /nfs/dbraw/zinc/72/62/87/564726287.db2.gz WLXFOYRCQMQXMQ-DZGCQCFKSA-N -1 3 383.828 3.100 20 0 GGADHM CN(CC1CCCC1)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000064088435 564726353 /nfs/dbraw/zinc/72/63/53/564726353.db2.gz BDDRZTBIIWYQOS-UHFFFAOYSA-N -1 3 393.336 3.310 20 0 GGADHM CN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131841016 564726443 /nfs/dbraw/zinc/72/64/43/564726443.db2.gz QUIVVXYBPXVKPV-UHFFFAOYSA-N -1 3 397.287 3.362 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)cc1C ZINC000064374588 564727995 /nfs/dbraw/zinc/72/79/95/564727995.db2.gz LRHJCFIVRAUUEX-UHFFFAOYSA-N -1 3 385.869 3.483 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1c(F)cccc1F ZINC000064599495 564732713 /nfs/dbraw/zinc/73/27/13/564732713.db2.gz YMTYGKYQZQILDV-ZDUSSCGKSA-N -1 3 386.489 3.217 20 0 GGADHM CCCOc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000064863191 564736002 /nfs/dbraw/zinc/73/60/02/564736002.db2.gz KCSHCHQEBADYOH-ZDUSSCGKSA-N -1 3 382.507 3.151 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000064856669 564736674 /nfs/dbraw/zinc/73/66/74/564736674.db2.gz YNPDBSMBVHCGQN-LBPRGKRZSA-N -1 3 398.937 3.260 20 0 GGADHM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000132257845 564737695 /nfs/dbraw/zinc/73/76/95/564737695.db2.gz LJCNSKOBSVWEIE-NSHDSACASA-N -1 3 391.269 3.170 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000064957543 564737760 /nfs/dbraw/zinc/73/77/60/564737760.db2.gz LAWOLQQVAPEUQJ-TXEJJXNPSA-N -1 3 378.460 3.139 20 0 GGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000065012202 564738341 /nfs/dbraw/zinc/73/83/41/564738341.db2.gz SLAWDNZXKGZNMO-AWEZNQCLSA-N -1 3 385.844 3.452 20 0 GGADHM C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C[C@H]1C ZINC000132294744 564738595 /nfs/dbraw/zinc/73/85/95/564738595.db2.gz ZELCYRZEJMTOMV-CHWSQXEVSA-N -1 3 398.575 3.406 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1cccc(C(F)F)c1 ZINC000132313164 564739215 /nfs/dbraw/zinc/73/92/15/564739215.db2.gz DVYBLHKCXCMMRS-UHFFFAOYSA-N -1 3 399.191 3.347 20 0 GGADHM CSc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132300117 564739264 /nfs/dbraw/zinc/73/92/64/564739264.db2.gz KDTPODUTXGIZMF-UHFFFAOYSA-N -1 3 395.278 3.132 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132299674 564739617 /nfs/dbraw/zinc/73/96/17/564739617.db2.gz WBTUZBGWIITXGY-UHFFFAOYSA-N -1 3 397.656 3.371 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)s1 ZINC000132327224 564740467 /nfs/dbraw/zinc/74/04/67/564740467.db2.gz VODKZHAPCPAWLC-UHFFFAOYSA-N -1 3 382.576 3.449 20 0 GGADHM Cc1ccc2nc([N-]C(=O)c3nc4ncc(Br)cn4n3)sc2c1 ZINC000065627058 564745918 /nfs/dbraw/zinc/74/59/18/564745918.db2.gz XMGATGXFMPACDM-UHFFFAOYSA-N -1 3 389.238 3.057 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccsc2)cc1OC ZINC000065753264 564748751 /nfs/dbraw/zinc/74/87/51/564748751.db2.gz QEBYENRNBZGKFM-UHFFFAOYSA-N -1 3 383.495 3.182 20 0 GGADHM O=C(NCCc1cccc(Cl)c1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065800992 564750114 /nfs/dbraw/zinc/75/01/14/564750114.db2.gz BXAZQJGCRJUORV-UHFFFAOYSA-N -1 3 378.215 3.241 20 0 GGADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065880183 564751903 /nfs/dbraw/zinc/75/19/03/564751903.db2.gz VOVOXBAZCJTDQT-UHFFFAOYSA-N -1 3 378.219 3.003 20 0 GGADHM O=C(NCCOc1ccc(Br)cc1)c1c[n-]c2ccccc2c1=O ZINC000065911123 564752242 /nfs/dbraw/zinc/75/22/42/564752242.db2.gz CTPLZCRZODVWJI-UHFFFAOYSA-N -1 3 387.233 3.099 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)Cc1ccccc1 ZINC000132837523 564755245 /nfs/dbraw/zinc/75/52/45/564755245.db2.gz PUORPMXLFXMGPO-OAHLLOKOSA-N -1 3 377.282 3.057 20 0 GGADHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000132871411 564755416 /nfs/dbraw/zinc/75/54/16/564755416.db2.gz QFJQAQOYYJJPNQ-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM CCC(CC)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCOCC1 ZINC000132988491 564759120 /nfs/dbraw/zinc/75/91/20/564759120.db2.gz ALUMXMQJUVBTSZ-MRXNPFEDSA-N -1 3 399.329 3.022 20 0 GGADHM CC(C)c1nc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cs1 ZINC000133028569 564760751 /nfs/dbraw/zinc/76/07/51/564760751.db2.gz ALOKHGROMOORPK-UHFFFAOYSA-N -1 3 383.470 3.099 20 0 GGADHM O=C(Cc1ccccc1Cl)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133079287 564761672 /nfs/dbraw/zinc/76/16/72/564761672.db2.gz PHYHHCHQWDLSQP-UHFFFAOYSA-N -1 3 382.844 3.101 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1c(F)cccc1Cl ZINC000133079527 564761740 /nfs/dbraw/zinc/76/17/40/564761740.db2.gz ACSJAPITQPFWCZ-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM COCCOc1ncccc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000066412747 564765834 /nfs/dbraw/zinc/76/58/34/564765834.db2.gz ASSXRJCSMKPGLI-UHFFFAOYSA-N -1 3 376.463 3.248 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000133199989 564765951 /nfs/dbraw/zinc/76/59/51/564765951.db2.gz WVWBPHBJLPYOHK-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(Br)ccc2Cl)c(=O)[n-]1 ZINC000066428819 564765964 /nfs/dbraw/zinc/76/59/64/564765964.db2.gz NRVNKUQPFUTMNH-UHFFFAOYSA-N -1 3 384.661 3.374 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cccnc2Cl)ccc1F ZINC000133249074 564767480 /nfs/dbraw/zinc/76/74/80/564767480.db2.gz YCIAOHXUQKAPCB-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000133268842 564768394 /nfs/dbraw/zinc/76/83/94/564768394.db2.gz AZDQJEPYBUALMI-GFCCVEGCSA-N -1 3 391.320 3.063 20 0 GGADHM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000133331111 564770327 /nfs/dbraw/zinc/77/03/27/564770327.db2.gz PQYXGIIFGYRWOS-LBPRGKRZSA-N -1 3 391.320 3.063 20 0 GGADHM O=C(Cc1csc(-c2cnccn2)n1)Nc1ccc(Br)cc1[O-] ZINC000066613218 564770998 /nfs/dbraw/zinc/77/09/98/564770998.db2.gz JSUXLYRZBBWRHN-UHFFFAOYSA-N -1 3 391.250 3.249 20 0 GGADHM Cc1cc(C)c2c(c1)N(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)CCC2 ZINC000066732980 564773944 /nfs/dbraw/zinc/77/39/44/564773944.db2.gz KYUBDXKOABATNO-AWEZNQCLSA-N -1 3 378.519 3.011 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]CC(=O)C(C)(C)C)cc1Cl ZINC000133434155 564774287 /nfs/dbraw/zinc/77/42/87/564774287.db2.gz XCYWDJYRVUVCTA-UHFFFAOYSA-N -1 3 398.706 3.005 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000066772893 564774478 /nfs/dbraw/zinc/77/44/78/564774478.db2.gz ZOVJWRPXSOIYBE-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM CCOc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C ZINC000066768609 564774568 /nfs/dbraw/zinc/77/45/68/564774568.db2.gz NGFBVDDBRGYSOC-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000133471135 564775128 /nfs/dbraw/zinc/77/51/28/564775128.db2.gz CAAXBPQROUMCJI-UHFFFAOYSA-N -1 3 376.869 3.365 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)n1 ZINC000133471135 564775130 /nfs/dbraw/zinc/77/51/30/564775130.db2.gz CAAXBPQROUMCJI-UHFFFAOYSA-N -1 3 376.869 3.365 20 0 GGADHM Cc1ccnc([C@H]([N-]S(=O)(=O)c2ccc(Br)cc2C)C2CC2)n1 ZINC000133492725 564776050 /nfs/dbraw/zinc/77/60/50/564776050.db2.gz BOJUWJCJPBBZEB-OAHLLOKOSA-N -1 3 396.310 3.286 20 0 GGADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2C)C2CC2)n1 ZINC000133492901 564776100 /nfs/dbraw/zinc/77/61/00/564776100.db2.gz BOJUWJCJPBBZEB-HNNXBMFYSA-N -1 3 396.310 3.286 20 0 GGADHM Cc1c(I)cccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133558442 564777414 /nfs/dbraw/zinc/77/74/14/564777414.db2.gz FENXMCBAUAGWRX-UHFFFAOYSA-N -1 3 385.176 3.374 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)[C@H]1CCOC1 ZINC000066913257 564778741 /nfs/dbraw/zinc/77/87/41/564778741.db2.gz VXSWXUISWUHDHL-LBPRGKRZSA-N -1 3 380.853 3.116 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3ccccc3OC)nc(=O)c2c1C ZINC000067008238 564781276 /nfs/dbraw/zinc/78/12/76/564781276.db2.gz BIWQWRRRDGEMQE-UHFFFAOYSA-N -1 3 376.459 3.381 20 0 GGADHM C[C@H]1Cc2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc2N1S(C)(=O)=O ZINC000067138946 564784662 /nfs/dbraw/zinc/78/46/62/564784662.db2.gz HDENXXHNXUFBAD-JTQLQIEISA-N -1 3 380.853 3.009 20 0 GGADHM O=C(CNC(=O)c1ccc(Br)s1)Nc1cc(Cl)ccc1[O-] ZINC000067139161 564784800 /nfs/dbraw/zinc/78/48/00/564784800.db2.gz ZDRRGDWXYXEQER-UHFFFAOYSA-N -1 3 389.658 3.238 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000133975132 564790699 /nfs/dbraw/zinc/79/06/99/564790699.db2.gz FBTGTDYMHPUKFH-UHFFFAOYSA-N -1 3 381.523 3.085 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000133987225 564790805 /nfs/dbraw/zinc/79/08/05/564790805.db2.gz FTDGJENNOJOSND-UHFFFAOYSA-N -1 3 387.292 3.276 20 0 GGADHM CCC(C)(C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000134153352 564794993 /nfs/dbraw/zinc/79/49/93/564794993.db2.gz QWXPRXCJTFXUBI-UHFFFAOYSA-N -1 3 384.217 3.051 20 0 GGADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000134266416 564798415 /nfs/dbraw/zinc/79/84/15/564798415.db2.gz ZNDIHLUAANRIIY-UHFFFAOYSA-N -1 3 397.865 3.248 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1ccc(Br)cc1 ZINC000134280732 564799330 /nfs/dbraw/zinc/79/93/30/564799330.db2.gz YAKGQVYRWRRLQD-UHFFFAOYSA-N -1 3 397.225 3.194 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1OC ZINC000067909400 564802039 /nfs/dbraw/zinc/80/20/39/564802039.db2.gz ISJHDWKURZSNFQ-UHFFFAOYSA-N -1 3 382.869 3.291 20 0 GGADHM CSCCc1ccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000067932712 564802472 /nfs/dbraw/zinc/80/24/72/564802472.db2.gz LXCWJKPZSAIYPA-UHFFFAOYSA-N -1 3 382.482 3.355 20 0 GGADHM O=S(=O)([N-]CCCF)c1csc(-c2ccc(Br)cc2)n1 ZINC000134515996 564805270 /nfs/dbraw/zinc/80/52/70/564805270.db2.gz IDCBCDVZHASAFP-UHFFFAOYSA-N -1 3 379.276 3.211 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000068038719 564806746 /nfs/dbraw/zinc/80/67/46/564806746.db2.gz BCFYTNULMQRNML-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000068074512 564807704 /nfs/dbraw/zinc/80/77/04/564807704.db2.gz NZOXWBKIWGLGPY-UHFFFAOYSA-N -1 3 375.422 3.084 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cc(Br)ccc1F ZINC000134643818 564810278 /nfs/dbraw/zinc/81/02/78/564810278.db2.gz YLGGZWRFLZBMBZ-LBPRGKRZSA-N -1 3 392.290 3.358 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccc(Br)s1 ZINC000134651541 564810949 /nfs/dbraw/zinc/81/09/49/564810949.db2.gz MVPKXGXJCZFVIV-SNVBAGLBSA-N -1 3 380.329 3.281 20 0 GGADHM CC(C)[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000068382318 564816741 /nfs/dbraw/zinc/81/67/41/564816741.db2.gz BAHGKLWNKLEOTL-BLLLJJGKSA-N -1 3 384.498 3.068 20 0 GGADHM Cc1ccc([C@H]2CCCN2C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000068382477 564816771 /nfs/dbraw/zinc/81/67/71/564816771.db2.gz GQXBAAPQAPMXSL-GDBMZVCRSA-N -1 3 378.519 3.087 20 0 GGADHM CC(C)C[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000068382319 564816831 /nfs/dbraw/zinc/81/68/31/564816831.db2.gz OMCMGWWFHCMOQD-GDBMZVCRSA-N -1 3 380.535 3.319 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2csc(C3CC3)n2)CC1)c1cccs1 ZINC000134866488 564817354 /nfs/dbraw/zinc/81/73/54/564817354.db2.gz NDJJXNFNXPKDMZ-UHFFFAOYSA-N -1 3 383.564 3.025 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(CN(C)C)c(F)c2)c1 ZINC000134898536 564818170 /nfs/dbraw/zinc/81/81/70/564818170.db2.gz BMXXIOACWZPSCP-UHFFFAOYSA-N -1 3 386.876 3.028 20 0 GGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1c[nH]nc1-c1c(F)cccc1F ZINC000134890712 564818245 /nfs/dbraw/zinc/81/82/45/564818245.db2.gz QIRHDPCTVLEEBD-UHFFFAOYSA-N -1 3 375.282 3.478 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000134962948 564820416 /nfs/dbraw/zinc/82/04/16/564820416.db2.gz HUHCHZOJAJDIPJ-UHFFFAOYSA-N -1 3 387.429 3.171 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(Br)n1 ZINC000135242542 564825905 /nfs/dbraw/zinc/82/59/05/564825905.db2.gz MDDXQMJKILOALA-UHFFFAOYSA-N -1 3 399.266 3.115 20 0 GGADHM CC(C)C[C@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000135298556 564826992 /nfs/dbraw/zinc/82/69/92/564826992.db2.gz CIKCIMXWZKCDEY-JTQLQIEISA-N -1 3 380.080 3.196 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(Cl)c1 ZINC000068882963 564828513 /nfs/dbraw/zinc/82/85/13/564828513.db2.gz INVSHROZVYDYFP-INIZCTEOSA-N -1 3 384.860 3.421 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1ccc(Br)s1 ZINC000068938396 564829467 /nfs/dbraw/zinc/82/94/67/564829467.db2.gz JBVJZPSJGSVXHA-SNVBAGLBSA-N -1 3 392.271 3.452 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)s1 ZINC000068960529 564830060 /nfs/dbraw/zinc/83/00/60/564830060.db2.gz WBVPEFPXWNUWCL-UHFFFAOYSA-N -1 3 398.937 3.395 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCCC[C@H]1C ZINC000068970197 564830455 /nfs/dbraw/zinc/83/04/55/564830455.db2.gz WIKJGGNKXMTIHN-MNOVXSKESA-N -1 3 379.309 3.061 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000069090046 564832316 /nfs/dbraw/zinc/83/23/16/564832316.db2.gz OLNUDLUEMNCPTE-HNNXBMFYSA-N -1 3 387.332 3.445 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000069090050 564832666 /nfs/dbraw/zinc/83/26/66/564832666.db2.gz OLNUDLUEMNCPTE-OAHLLOKOSA-N -1 3 387.332 3.445 20 0 GGADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000069131227 564833258 /nfs/dbraw/zinc/83/32/58/564833258.db2.gz KVAXYFSQACYYCC-INIZCTEOSA-N -1 3 380.535 3.074 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccc(Br)cc2)C2CCC2)c1 ZINC000069114170 564833357 /nfs/dbraw/zinc/83/33/57/564833357.db2.gz MWVIRLPSJXQOSI-HNNXBMFYSA-N -1 3 384.299 3.002 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000069161931 564834303 /nfs/dbraw/zinc/83/43/03/564834303.db2.gz PCNVSMBXINJXDV-NVXWUHKLSA-N -1 3 386.583 3.310 20 0 GGADHM CC1CC([N-]S(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000135577646 564835689 /nfs/dbraw/zinc/83/56/89/564835689.db2.gz LOZHSSWPVJSAJW-UHFFFAOYSA-N -1 3 383.105 3.288 20 0 GGADHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000135636290 564837457 /nfs/dbraw/zinc/83/74/57/564837457.db2.gz BYVGGLPHJMOVDR-UHFFFAOYSA-N -1 3 380.274 3.198 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccc(Cl)c(F)c1 ZINC000135696381 564838906 /nfs/dbraw/zinc/83/89/06/564838906.db2.gz SOPZMKIXWGVMEP-GFCCVEGCSA-N -1 3 377.846 3.123 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)cn1C ZINC000135832783 564840965 /nfs/dbraw/zinc/84/09/65/564840965.db2.gz VVRQPKSSYHBGOX-UHFFFAOYSA-N -1 3 396.774 3.285 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000136096478 564844370 /nfs/dbraw/zinc/84/43/70/564844370.db2.gz AXXQYTYYBMOFHP-UHFFFAOYSA-N -1 3 382.243 3.372 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(C)C ZINC000069790289 564844894 /nfs/dbraw/zinc/84/48/94/564844894.db2.gz MOHUCGIXRDUDKJ-WMLDXEAASA-N -1 3 380.535 3.237 20 0 GGADHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000136133913 564845846 /nfs/dbraw/zinc/84/58/46/564845846.db2.gz JBLHZDUVHCLCLR-LBPRGKRZSA-N -1 3 381.881 3.211 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@H](c3ccc(Br)cc3)C2)on1 ZINC000070694640 564850230 /nfs/dbraw/zinc/85/02/30/564850230.db2.gz BQQGUSVNPGGNSS-DOMZBBRYSA-N -1 3 394.269 3.146 20 0 GGADHM CC[C@@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000070715268 564850578 /nfs/dbraw/zinc/85/05/78/564850578.db2.gz GOOFGSHOFIQJNO-GFCCVEGCSA-N -1 3 393.336 3.453 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000136784306 564854926 /nfs/dbraw/zinc/85/49/26/564854926.db2.gz WDOWGTCGJBJLFM-NXEZZACHSA-N -1 3 390.889 3.085 20 0 GGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1Cl ZINC000136802694 564855556 /nfs/dbraw/zinc/85/55/56/564855556.db2.gz MHAWKNNSWYYOQU-SNVBAGLBSA-N -1 3 390.889 3.086 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sc(C)cc2OC)cc1OC ZINC000071119037 564856096 /nfs/dbraw/zinc/85/60/96/564856096.db2.gz HBHVNTMJYQKENI-UHFFFAOYSA-N -1 3 384.479 3.088 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071214145 564856198 /nfs/dbraw/zinc/85/61/98/564856198.db2.gz QIGVWCUEBCBOHS-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)s1 ZINC000071972360 564859051 /nfs/dbraw/zinc/85/90/51/564859051.db2.gz CCQFRCPOGGJKSN-UHFFFAOYSA-N -1 3 379.503 3.325 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@H]2CCOC(C)(C)C2)cc(Br)c1[O-] ZINC000137414201 564861981 /nfs/dbraw/zinc/86/19/81/564861981.db2.gz OEAGIKCDWLCUTN-ITKZLYELSA-N -1 3 384.270 3.250 20 0 GGADHM CN(C)CCOc1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000137546944 564863084 /nfs/dbraw/zinc/86/30/84/564863084.db2.gz RTPGTISXHVYJNQ-UHFFFAOYSA-N -1 3 379.254 3.347 20 0 GGADHM O=S(=O)([N-]C[C@H]1CSCCS1)c1cc(C(F)(F)F)ccc1Cl ZINC000079060850 564866825 /nfs/dbraw/zinc/86/68/25/564866825.db2.gz RJKJNSFLIMXDJC-VIFPVBQESA-N -1 3 391.889 3.486 20 0 GGADHM COc1cc([N-]S(=O)(=O)N2CCc3ccccc3C2)c(OC)cc1Cl ZINC000083919865 564867666 /nfs/dbraw/zinc/86/76/66/564867666.db2.gz CLSQHNYRZJJAHL-UHFFFAOYSA-N -1 3 382.869 3.072 20 0 GGADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2Cl)cc1 ZINC000141253055 564873491 /nfs/dbraw/zinc/87/34/91/564873491.db2.gz TWEHJKOKRYZHEY-UHFFFAOYSA-N -1 3 380.897 3.464 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142028752 564874171 /nfs/dbraw/zinc/87/41/71/564874171.db2.gz HQLBTZVIVLNKPV-GOEBONIOSA-N -1 3 378.519 3.087 20 0 GGADHM CC(C)COc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142027264 564874218 /nfs/dbraw/zinc/87/42/18/564874218.db2.gz DOTSBRXWVBJLRL-CYBMUJFWSA-N -1 3 382.507 3.088 20 0 GGADHM Cc1cc(C(=O)N2CCN(Cc3cc([O-])ccc3Br)CC2)c(C)o1 ZINC000092185815 564874632 /nfs/dbraw/zinc/87/46/32/564874632.db2.gz JRDVQKFESXYXJW-UHFFFAOYSA-N -1 3 393.281 3.323 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccncc1 ZINC000092264402 564876056 /nfs/dbraw/zinc/87/60/56/564876056.db2.gz KHVNBMUUQMZOJS-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1ccncc1 ZINC000092264039 564876102 /nfs/dbraw/zinc/87/61/02/564876102.db2.gz XEQZSFIDFJYCRH-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CN(Cc1cc([O-])ccc1Br)C[C@H](O)COCc1ccccc1 ZINC000092472538 564878153 /nfs/dbraw/zinc/87/81/53/564878153.db2.gz SFCJNGITUHADOS-KRWDZBQOSA-N -1 3 380.282 3.164 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000145606607 564879967 /nfs/dbraw/zinc/87/99/67/564879967.db2.gz AXIFQOXRZLSWBK-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(F)cc1F ZINC000146479384 564882043 /nfs/dbraw/zinc/88/20/43/564882043.db2.gz QTLXBZBZMARAHB-ZDUSSCGKSA-N -1 3 386.489 3.217 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)sc1Br ZINC000092937690 564882194 /nfs/dbraw/zinc/88/21/94/564882194.db2.gz VPAGGFLZJFPPBF-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccccc1Br ZINC000147721533 564883149 /nfs/dbraw/zinc/88/31/49/564883149.db2.gz CZKPAIOZLRVYRH-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM [O-]c1ccc(Br)c(CN2CCCN(Cc3cscn3)CC2)c1 ZINC000093016295 564883969 /nfs/dbraw/zinc/88/39/69/564883969.db2.gz LVYZCHWKNVDOFI-UHFFFAOYSA-N -1 3 382.327 3.319 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(Br)s1 ZINC000147727406 564884114 /nfs/dbraw/zinc/88/41/14/564884114.db2.gz OKTXYSYERJKWMQ-UHFFFAOYSA-N -1 3 398.101 3.469 20 0 GGADHM COc1ccc(OC)c(CN(CCO)Cc2cc([O-])ccc2Br)c1 ZINC000093361547 564886911 /nfs/dbraw/zinc/88/69/11/564886911.db2.gz QUCYXONFIHHYFH-UHFFFAOYSA-N -1 3 396.281 3.166 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCOc2ccccc2)sc1Br ZINC000149831510 564887408 /nfs/dbraw/zinc/88/74/08/564887408.db2.gz JDBCNNNALBSLTG-UHFFFAOYSA-N -1 3 376.297 3.176 20 0 GGADHM Cc1nn2c(nnc2S[C@@H]2CCCc3ccc(Br)cc32)[n-]c1=O ZINC000093904074 564891939 /nfs/dbraw/zinc/89/19/39/564891939.db2.gz OSXODGPEESFFGY-GFCCVEGCSA-N -1 3 392.282 3.466 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)n1 ZINC000093912080 564892519 /nfs/dbraw/zinc/89/25/19/564892519.db2.gz QZIALHVPTVULOR-UHFFFAOYSA-N -1 3 384.914 3.449 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@H](C)c2ccccc2)c(Cl)c1 ZINC000150888000 564895871 /nfs/dbraw/zinc/89/58/71/564895871.db2.gz QWFDIRFIDXBMDA-AWEZNQCLSA-N -1 3 380.897 3.310 20 0 GGADHM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000150934457 564897467 /nfs/dbraw/zinc/89/74/67/564897467.db2.gz NINZMVFWPRNQKY-GXFFZTMASA-N -1 3 375.899 3.027 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000150964675 564899174 /nfs/dbraw/zinc/89/91/74/564899174.db2.gz ASNLCBNIRPAVLA-GJZGRUSLSA-N -1 3 393.285 3.334 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)OC)c1 ZINC000096390335 564902368 /nfs/dbraw/zinc/90/23/68/564902368.db2.gz OMRKPOJZGSSCBZ-INIZCTEOSA-N -1 3 385.869 3.023 20 0 GGADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)s1 ZINC000096742847 564903141 /nfs/dbraw/zinc/90/31/41/564903141.db2.gz MPLUZULTFAIPPQ-SECBINFHSA-N -1 3 375.313 3.124 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)cc(Cl)c1 ZINC000096998363 564904339 /nfs/dbraw/zinc/90/43/39/564904339.db2.gz ITLCGSANYYJEOV-SECBINFHSA-N -1 3 391.242 3.156 20 0 GGADHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151127759 564906542 /nfs/dbraw/zinc/90/65/42/564906542.db2.gz DFUVVWGGSDUKDT-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1cc(C(F)(F)F)ccc1Cl ZINC000097271890 564907421 /nfs/dbraw/zinc/90/74/21/564907421.db2.gz ODVGGCSQMKMFNG-HIFRSBDPSA-N -1 3 391.798 3.295 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1c(F)cccc1F ZINC000097572926 564908512 /nfs/dbraw/zinc/90/85/12/564908512.db2.gz OTUHLAZBXYJKJV-LLVKDONJSA-N -1 3 380.869 3.261 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCC(C)CC1 ZINC000097549617 564908531 /nfs/dbraw/zinc/90/85/31/564908531.db2.gz PBFFDRZMSSGWKT-LBPRGKRZSA-N -1 3 382.423 3.243 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000151188698 564908951 /nfs/dbraw/zinc/90/89/51/564908951.db2.gz UUBRDKHPPDREDB-UHFFFAOYSA-N -1 3 382.482 3.158 20 0 GGADHM O=c1[n-]c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2[nH]ncc21 ZINC000098129623 564913523 /nfs/dbraw/zinc/91/35/23/564913523.db2.gz INDRDSKZLATSBM-UHFFFAOYSA-N -1 3 395.231 3.295 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Br)cn1 ZINC000151639515 564931123 /nfs/dbraw/zinc/93/11/23/564931123.db2.gz XIXBOPOFNJDCPZ-UHFFFAOYSA-N -1 3 386.043 3.242 20 0 GGADHM CCOc1cc(Br)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000151408936 564918956 /nfs/dbraw/zinc/91/89/56/564918956.db2.gz CAGRNHCEZNCIRX-UHFFFAOYSA-N -1 3 394.269 3.119 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(NC(=O)C2CC2)c1 ZINC000151516453 564924334 /nfs/dbraw/zinc/92/43/34/564924334.db2.gz DFOGYGCQCPVMKH-UHFFFAOYSA-N -1 3 389.249 3.433 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ncccc1OCC(F)F ZINC000151539869 564925288 /nfs/dbraw/zinc/92/52/88/564925288.db2.gz QPTLOOJPNKJGFJ-UHFFFAOYSA-N -1 3 387.180 3.124 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000151537373 564925466 /nfs/dbraw/zinc/92/54/66/564925466.db2.gz ZVVSDYBRSJIJAT-QGZVFWFLSA-N -1 3 389.293 3.436 20 0 GGADHM O=C(CCc1nnc(C2CCCC2)o1)NCc1ccc([O-])c(Br)c1 ZINC000151544801 564925599 /nfs/dbraw/zinc/92/55/99/564925599.db2.gz QSRNCEROVWWXCS-UHFFFAOYSA-N -1 3 394.269 3.444 20 0 GGADHM O=C(CCCNC(=O)c1ccsc1)NCc1ccc([O-])c(Br)c1 ZINC000151552315 564926230 /nfs/dbraw/zinc/92/62/30/564926230.db2.gz CDEUTCQGLHZDRT-UHFFFAOYSA-N -1 3 397.294 3.043 20 0 GGADHM CCOc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151547639 564926277 /nfs/dbraw/zinc/92/62/77/564926277.db2.gz FSJJFHCXRISDBN-UHFFFAOYSA-N -1 3 380.238 3.249 20 0 GGADHM CC(=O)Nc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000151555728 564926359 /nfs/dbraw/zinc/92/63/59/564926359.db2.gz UZTPHFFIQLREJJ-UHFFFAOYSA-N -1 3 381.201 3.182 20 0 GGADHM CC(=O)Nc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000151569786 564927297 /nfs/dbraw/zinc/92/72/97/564927297.db2.gz IEWGPNYLLWIWHN-UHFFFAOYSA-N -1 3 377.238 3.352 20 0 GGADHM COc1cc(CCC(=O)NCc2ccc([O-])c(Br)c2)cc(OC)c1 ZINC000151601031 564929454 /nfs/dbraw/zinc/92/94/54/564929454.db2.gz LAQFBHUBGLPSSS-UHFFFAOYSA-N -1 3 394.265 3.421 20 0 GGADHM CC[S@](=O)c1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151605686 564929466 /nfs/dbraw/zinc/92/94/66/564929466.db2.gz CEKNNSJLJAXBFW-JOCHJYFZSA-N -1 3 382.279 3.212 20 0 GGADHM CCc1[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1C(=O)OC ZINC000151623294 564930082 /nfs/dbraw/zinc/93/00/82/564930082.db2.gz CMXGUKQUHNPVPI-UHFFFAOYSA-N -1 3 395.253 3.070 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Br)o1 ZINC000151616552 564930271 /nfs/dbraw/zinc/93/02/71/564930271.db2.gz AGBPIHDRALMMIQ-UHFFFAOYSA-N -1 3 375.016 3.440 20 0 GGADHM COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000151625747 564930280 /nfs/dbraw/zinc/93/02/80/564930280.db2.gz DPVARNBOOGHXMW-CYBMUJFWSA-N -1 3 392.249 3.031 20 0 GGADHM CCc1noc2ncc(C(=O)NCc3ccc([O-])c(Br)c3)cc12 ZINC000151625435 564930293 /nfs/dbraw/zinc/93/02/93/564930293.db2.gz AHAYOKAOGOJYCU-UHFFFAOYSA-N -1 3 376.210 3.183 20 0 GGADHM O=C(Cc1ccc(Cl)c(Cl)c1)NCCCNC(=O)c1cccc([O-])c1 ZINC000102471647 564930320 /nfs/dbraw/zinc/93/03/20/564930320.db2.gz FHOSRNGPLRNYDO-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151649110 564930908 /nfs/dbraw/zinc/93/09/08/564930908.db2.gz UVVVZLCELJTLPW-JTQLQIEISA-N -1 3 380.286 3.000 20 0 GGADHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000102748373 564934493 /nfs/dbraw/zinc/93/44/93/564934493.db2.gz VTDFLWPWQSFIFM-UHFFFAOYSA-N -1 3 397.371 3.049 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000151770100 564935781 /nfs/dbraw/zinc/93/57/81/564935781.db2.gz WEYJWQGDIVHDKK-NSHDSACASA-N -1 3 377.388 3.402 20 0 GGADHM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1Cl ZINC000151774698 564935903 /nfs/dbraw/zinc/93/59/03/564935903.db2.gz IYKDQDWNHRCUAN-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM Cc1cc(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)ccc1[O-] ZINC000499906118 564940229 /nfs/dbraw/zinc/94/02/29/564940229.db2.gz OKTHMIGZFQKUTP-UHFFFAOYSA-N -1 3 387.237 3.355 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000151928390 564940679 /nfs/dbraw/zinc/94/06/79/564940679.db2.gz LJTQWGKJSRPNRB-ZDUSSCGKSA-N -1 3 380.432 3.084 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccco1 ZINC000103152303 564943633 /nfs/dbraw/zinc/94/36/33/564943633.db2.gz DWMGPZVNKHKPHB-GFCCVEGCSA-N -1 3 380.363 3.019 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000103157230 564943635 /nfs/dbraw/zinc/94/36/35/564943635.db2.gz PIVKQAJHRRHRFX-CQSZACIVSA-N -1 3 389.807 3.201 20 0 GGADHM CCn1c(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)nc2ccccc21 ZINC000103157937 564943644 /nfs/dbraw/zinc/94/36/44/564943644.db2.gz SKHVVTMGHAPDIL-UHFFFAOYSA-N -1 3 381.860 3.370 20 0 GGADHM Cc1nc([N-]C(=O)c2ccc(COc3ccc(Br)cc3)o2)n[nH]1 ZINC000103256943 564945490 /nfs/dbraw/zinc/94/54/90/564945490.db2.gz HNPSWEDLTCRIDN-UHFFFAOYSA-N -1 3 377.198 3.300 20 0 GGADHM Cc1nc([N-]C(=O)c2ccc(COc3cccc(Br)c3)o2)n[nH]1 ZINC000103256897 564945695 /nfs/dbraw/zinc/94/56/95/564945695.db2.gz ZTDWNGLRBAQNLL-UHFFFAOYSA-N -1 3 377.198 3.300 20 0 GGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cnc(Cc2ccccc2)s1 ZINC000152075544 564945952 /nfs/dbraw/zinc/94/59/52/564945952.db2.gz CRABFNIXDTWCJY-UHFFFAOYSA-N -1 3 378.500 3.451 20 0 GGADHM CCSc1ccc([C@@H](C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000103446160 564948733 /nfs/dbraw/zinc/94/87/33/564948733.db2.gz DNEKKYZGJMOLFP-CYBMUJFWSA-N -1 3 398.575 3.406 20 0 GGADHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000103498754 564949633 /nfs/dbraw/zinc/94/96/33/564949633.db2.gz QUXPHOSKYPZCMT-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)sc1C ZINC000152196757 564950069 /nfs/dbraw/zinc/95/00/69/564950069.db2.gz MAAUPJKGGPUGIE-UHFFFAOYSA-N -1 3 382.404 3.439 20 0 GGADHM CSCc1noc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)n1 ZINC000152225016 564951622 /nfs/dbraw/zinc/95/16/22/564951622.db2.gz YRIGXBDQNVPESM-UHFFFAOYSA-N -1 3 375.372 3.132 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000103943515 564952251 /nfs/dbraw/zinc/95/22/51/564952251.db2.gz PNYMHVXFAIBCJI-UHFFFAOYSA-N -1 3 377.315 3.432 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccco1 ZINC000104106791 564953037 /nfs/dbraw/zinc/95/30/37/564953037.db2.gz YJSFXUDJVZYVHL-AWEZNQCLSA-N -1 3 377.293 3.309 20 0 GGADHM C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(Br)cc2[O-])NC1=O ZINC000104254323 564953662 /nfs/dbraw/zinc/95/36/62/564953662.db2.gz SITIOHACFCQSOO-MRVPVSSYSA-N -1 3 377.194 3.126 20 0 GGADHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000104254280 564953956 /nfs/dbraw/zinc/95/39/56/564953956.db2.gz IITWKABWMGIWOF-MRXNPFEDSA-N -1 3 389.249 3.067 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000104422207 564954836 /nfs/dbraw/zinc/95/48/36/564954836.db2.gz XYANSSCDOLMTRU-DYVFJYSZSA-N -1 3 378.519 3.073 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000104422210 564954991 /nfs/dbraw/zinc/95/49/91/564954991.db2.gz XYANSSCDOLMTRU-SUMWQHHRSA-N -1 3 378.519 3.073 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H](c1ccccc1)C1CCC1 ZINC000104419589 564955091 /nfs/dbraw/zinc/95/50/91/564955091.db2.gz CHBVXIFERSXAGQ-SFHVURJKSA-N -1 3 378.519 3.074 20 0 GGADHM Cc1nc(C)c(CC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000104509058 564955683 /nfs/dbraw/zinc/95/56/83/564955683.db2.gz BECVBWSXWGHCDJ-UHFFFAOYSA-N -1 3 382.291 3.330 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c[nH]1 ZINC000104634115 564957337 /nfs/dbraw/zinc/95/73/37/564957337.db2.gz QCZRRFYTNHFOIC-UHFFFAOYSA-N -1 3 381.763 3.311 20 0 GGADHM CCCCCOCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000104634272 564957411 /nfs/dbraw/zinc/95/74/11/564957411.db2.gz MUPMCPKGXSNFEE-UHFFFAOYSA-N -1 3 382.404 3.222 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC1(Cl)Cl ZINC000104634137 564957547 /nfs/dbraw/zinc/95/75/47/564957547.db2.gz JXOXHBGZDYVVPE-SSDOTTSWSA-N -1 3 391.198 3.209 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2cccs2)cc1Cl ZINC000104732916 564958099 /nfs/dbraw/zinc/95/80/99/564958099.db2.gz HLTKVEAQTUXGAV-UHFFFAOYSA-N -1 3 376.862 3.020 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)cc1Cl ZINC000104752687 564959373 /nfs/dbraw/zinc/95/93/73/564959373.db2.gz XASSHDCOSJSRRV-UHFFFAOYSA-N -1 3 392.786 3.194 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1nc(C)cs1 ZINC000104760208 564959909 /nfs/dbraw/zinc/95/99/09/564959909.db2.gz GMTPMHLVDWRITG-INIZCTEOSA-N -1 3 376.507 3.126 20 0 GGADHM NC(=O)[C@@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000152546382 564963284 /nfs/dbraw/zinc/96/32/84/564963284.db2.gz OLZJNLDLFQUCDL-HNNXBMFYSA-N -1 3 398.868 3.199 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)cc1Cl ZINC000105615878 564969732 /nfs/dbraw/zinc/96/97/32/564969732.db2.gz JZDDWWIFZUEGRK-GFCCVEGCSA-N -1 3 393.292 3.176 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1OC ZINC000152733345 564969734 /nfs/dbraw/zinc/96/97/34/564969734.db2.gz UTVIGKOAEFWUDP-MRXNPFEDSA-N -1 3 379.459 3.426 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000105712589 564972960 /nfs/dbraw/zinc/97/29/60/564972960.db2.gz LBQZRASPWFJLQI-SECBINFHSA-N -1 3 377.249 3.232 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2csc(-c3ccsc3)n2)on1 ZINC000105713449 564972988 /nfs/dbraw/zinc/97/29/88/564972988.db2.gz PWXVRYFTBGRGNY-SNVBAGLBSA-N -1 3 397.503 3.110 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2csc(-c3ccsc3)n2)on1 ZINC000105713451 564973229 /nfs/dbraw/zinc/97/32/29/564973229.db2.gz PWXVRYFTBGRGNY-JTQLQIEISA-N -1 3 397.503 3.110 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2csc(C3CCCC3)n2)on1 ZINC000105715078 564973434 /nfs/dbraw/zinc/97/34/34/564973434.db2.gz WKCLOVQAOFECOR-LLVKDONJSA-N -1 3 383.495 3.039 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)oc1C ZINC000106051125 564977111 /nfs/dbraw/zinc/97/71/11/564977111.db2.gz VXRBKRPKZMAFAG-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1c(Cl)cccc1Cl ZINC000152986073 564980368 /nfs/dbraw/zinc/98/03/68/564980368.db2.gz ZEUIQQALJOORMK-HZMBPMFUSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000152995132 564980647 /nfs/dbraw/zinc/98/06/47/564980647.db2.gz WOCLRZUNPNCBSG-BXUZGUMPSA-N -1 3 399.431 3.178 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)n2)cc1 ZINC000153081818 564984648 /nfs/dbraw/zinc/98/46/48/564984648.db2.gz NQVICGLOUBHWKY-AWEZNQCLSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000106722561 564987391 /nfs/dbraw/zinc/98/73/91/564987391.db2.gz DRURWSNYHBMMOZ-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000106722559 564987544 /nfs/dbraw/zinc/98/75/44/564987544.db2.gz UYHHCHUDXWAJBK-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000153231428 564988324 /nfs/dbraw/zinc/98/83/24/564988324.db2.gz AJDCXDJQFTZFBH-INIZCTEOSA-N -1 3 379.243 3.163 20 0 GGADHM COc1cc(C(=O)N(C)CCc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000153257823 564989631 /nfs/dbraw/zinc/98/96/31/564989631.db2.gz POMKNRVBJJVWPM-UHFFFAOYSA-N -1 3 394.265 3.487 20 0 GGADHM COc1cc(C(=O)[N-]c2cc(Br)cnc2OCC(F)(F)F)on1 ZINC000153270255 564990091 /nfs/dbraw/zinc/99/00/91/564990091.db2.gz PZDQVMXUMWLYNT-UHFFFAOYSA-N -1 3 396.119 3.034 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000106891206 564990884 /nfs/dbraw/zinc/99/08/84/564990884.db2.gz UMTUTLSRICFFBC-GFCCVEGCSA-N -1 3 380.407 3.140 20 0 GGADHM COc1cc(S(=O)(=O)[N-]Cc2cccs2)c(OC)cc1Br ZINC000153311516 564991307 /nfs/dbraw/zinc/99/13/07/564991307.db2.gz LTMKUANMJWDAOJ-UHFFFAOYSA-N -1 3 392.296 3.006 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnn(-c2cccc(Br)c2)c1 ZINC000106904198 564991577 /nfs/dbraw/zinc/99/15/77/564991577.db2.gz ASBULKUNALSTLJ-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnn(-c2cccc(Br)c2)c1 ZINC000106904198 564991581 /nfs/dbraw/zinc/99/15/81/564991581.db2.gz ASBULKUNALSTLJ-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnn(-c2cccc(Br)c2)c1 ZINC000106904198 564991585 /nfs/dbraw/zinc/99/15/85/564991585.db2.gz ASBULKUNALSTLJ-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153424545 564994707 /nfs/dbraw/zinc/99/47/07/564994707.db2.gz PZPRTRBYBOLECY-NSHDSACASA-N -1 3 382.869 3.375 20 0 GGADHM CNc1snc(C)c1C(=O)[N-]c1nnc(Cc2cccc(OC)c2)s1 ZINC000107275401 564997512 /nfs/dbraw/zinc/99/75/12/564997512.db2.gz JAKBCLWINQHFAM-UHFFFAOYSA-N -1 3 375.479 3.196 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000107310159 564998278 /nfs/dbraw/zinc/99/82/78/564998278.db2.gz IOAOLRUVVLVOFM-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1[O-] ZINC000153539243 564999714 /nfs/dbraw/zinc/99/97/14/564999714.db2.gz FWDFIIPELRYQAE-UHFFFAOYSA-N -1 3 389.260 3.006 20 0 GGADHM CCC(CC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000153593102 565002260 /nfs/dbraw/zinc/00/22/60/565002260.db2.gz YXZKBWJFGXEHNA-UHFFFAOYSA-N -1 3 384.217 3.051 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)cc1[O-])S(=O)(=O)c1ccc(Cl)s1 ZINC000153623623 565004091 /nfs/dbraw/zinc/00/40/91/565004091.db2.gz FLGWRGIIUWNHDE-UHFFFAOYSA-N -1 3 395.289 3.020 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cn1 ZINC000153656208 565004770 /nfs/dbraw/zinc/00/47/70/565004770.db2.gz GAJQYUCIHNZACY-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)no1 ZINC000108251095 565008878 /nfs/dbraw/zinc/00/88/78/565008878.db2.gz IPDVLYFDTCXBRS-UHFFFAOYSA-N -1 3 379.825 3.411 20 0 GGADHM CCCCN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000153801112 565011650 /nfs/dbraw/zinc/01/16/50/565011650.db2.gz TYKGQFZWHJLTIT-UHFFFAOYSA-N -1 3 384.217 3.005 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000108766611 565017568 /nfs/dbraw/zinc/01/75/68/565017568.db2.gz LLBOZRPHBJIBSP-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000153925296 565017721 /nfs/dbraw/zinc/01/77/21/565017721.db2.gz WIFFOVYACYRISW-AWEZNQCLSA-N -1 3 398.937 3.352 20 0 GGADHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000153922580 565017865 /nfs/dbraw/zinc/01/78/65/565017865.db2.gz DKLRGVGINVIWPG-SECBINFHSA-N -1 3 378.928 3.009 20 0 GGADHM C[C@H](c1ccco1)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000153952391 565018293 /nfs/dbraw/zinc/01/82/93/565018293.db2.gz NUWLXYWNFGRACN-SNVBAGLBSA-N -1 3 388.898 3.025 20 0 GGADHM CCOCCOc1ccc(Br)cc1[N-]C(=O)c1cc(OC)no1 ZINC000153943924 565018367 /nfs/dbraw/zinc/01/83/67/565018367.db2.gz LSRKAUCNSYEKKE-UHFFFAOYSA-N -1 3 385.214 3.113 20 0 GGADHM Cc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000153942376 565018769 /nfs/dbraw/zinc/01/87/69/565018769.db2.gz IKXYBCARJJYQKY-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000109064548 565020582 /nfs/dbraw/zinc/02/05/82/565020582.db2.gz YBGCAWZZMQPHLC-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000109164385 565022516 /nfs/dbraw/zinc/02/25/16/565022516.db2.gz GGOAZRIKSPAMLJ-SMDDNHRTSA-N -1 3 386.926 3.336 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(Cl)s1 ZINC000109538474 565027407 /nfs/dbraw/zinc/02/74/07/565027407.db2.gz CNPHFPWUDJCGNT-UHFFFAOYSA-N -1 3 391.808 3.208 20 0 GGADHM O=S(=O)([N-]Cc1nc(CCCc2ccccc2)no1)c1ccc(Cl)s1 ZINC000109575093 565028247 /nfs/dbraw/zinc/02/82/47/565028247.db2.gz DCHGHIGHMYAKSY-UHFFFAOYSA-N -1 3 397.909 3.438 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(Cc3ccc(Cl)cc3)no2)ccc1F ZINC000109612250 565028796 /nfs/dbraw/zinc/02/87/96/565028796.db2.gz BMGAIXCFBLLPMR-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)c1 ZINC000154221805 565030062 /nfs/dbraw/zinc/03/00/62/565030062.db2.gz MDDHDQUQLNCIJI-ZDUSSCGKSA-N -1 3 378.523 3.058 20 0 GGADHM COC(C)(C)c1noc(-c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000154248595 565030880 /nfs/dbraw/zinc/03/08/80/565030880.db2.gz UTMMOGHQEGADAS-UHFFFAOYSA-N -1 3 387.889 3.348 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)n2)s1 ZINC000154245756 565030893 /nfs/dbraw/zinc/03/08/93/565030893.db2.gz HXYLHYRQACPYFV-LBPRGKRZSA-N -1 3 387.552 3.082 20 0 GGADHM C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(O)cc1[O-] ZINC000154240200 565030966 /nfs/dbraw/zinc/03/09/66/565030966.db2.gz PTGLZCOTPQWMKD-APPDUMDISA-N -1 3 392.249 3.463 20 0 GGADHM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000109818641 565032035 /nfs/dbraw/zinc/03/20/35/565032035.db2.gz KEDCGVLPHMNYOW-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000154291314 565032700 /nfs/dbraw/zinc/03/27/00/565032700.db2.gz PEOOWDGGJGEUOP-XOKHGSTOSA-N -1 3 394.290 3.074 20 0 GGADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000154286000 565032727 /nfs/dbraw/zinc/03/27/27/565032727.db2.gz JZFMQRQRYSIYEL-UHFFFAOYSA-N -1 3 382.507 3.338 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000154286000 565032731 /nfs/dbraw/zinc/03/27/31/565032731.db2.gz JZFMQRQRYSIYEL-UHFFFAOYSA-N -1 3 382.507 3.338 20 0 GGADHM Cc1cccc2sc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)nc21 ZINC000110168334 565036752 /nfs/dbraw/zinc/03/67/52/565036752.db2.gz VEJZWYUXAHJEMW-UHFFFAOYSA-N -1 3 381.504 3.169 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000154539711 565043086 /nfs/dbraw/zinc/04/30/86/565043086.db2.gz QPWYVAYGUNTXBN-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000154539594 565043139 /nfs/dbraw/zinc/04/31/39/565043139.db2.gz QPWYVAYGUNTXBN-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM CCCCO[C@H](C)C(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000110688512 565044300 /nfs/dbraw/zinc/04/43/00/565044300.db2.gz IOJAVWPVBRGXQU-LLVKDONJSA-N -1 3 378.441 3.260 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000154593255 565045975 /nfs/dbraw/zinc/04/59/75/565045975.db2.gz OLPBILODSJQANW-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)s1 ZINC000470626010 565051288 /nfs/dbraw/zinc/05/12/88/565051288.db2.gz MFWDPHJMOIOZPP-UHFFFAOYSA-N -1 3 382.829 3.410 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000111346295 565052777 /nfs/dbraw/zinc/05/27/77/565052777.db2.gz QIGALUWLWORHAA-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccccc2Br)C1)c1cccs1 ZINC000111365350 565053458 /nfs/dbraw/zinc/05/34/58/565053458.db2.gz KMJHKIIFHIQFEZ-LLVKDONJSA-N -1 3 387.324 3.068 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)cn1 ZINC000111356162 565053500 /nfs/dbraw/zinc/05/35/00/565053500.db2.gz CPGHNFSGZPAVMT-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Br)cc2C)c1 ZINC000111628727 565056163 /nfs/dbraw/zinc/05/61/63/565056163.db2.gz MJASAOUFQLMWAV-UHFFFAOYSA-N -1 3 377.238 3.352 20 0 GGADHM COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccccc1[O-] ZINC000155014251 565059391 /nfs/dbraw/zinc/05/93/91/565059391.db2.gz WBYJNXSNBWLZFI-HNNXBMFYSA-N -1 3 378.222 3.141 20 0 GGADHM COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000155050746 565060310 /nfs/dbraw/zinc/06/03/10/565060310.db2.gz LTOCWXYXSXFZEX-INIZCTEOSA-N -1 3 392.249 3.449 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)c(Cl)cc1F ZINC000155055909 565060639 /nfs/dbraw/zinc/06/06/39/565060639.db2.gz FCUKZFCWSHAOPG-UHFFFAOYSA-N -1 3 383.876 3.130 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000112266352 565061179 /nfs/dbraw/zinc/06/11/79/565061179.db2.gz KNNAFHGLTZELGI-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)n1C ZINC000155095548 565061712 /nfs/dbraw/zinc/06/17/12/565061712.db2.gz LUHGJTUCCGCZON-UHFFFAOYSA-N -1 3 384.914 3.285 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000112360927 565063108 /nfs/dbraw/zinc/06/31/08/565063108.db2.gz MDLHKMPAVSIFQL-OAHLLOKOSA-N -1 3 384.885 3.057 20 0 GGADHM COCCOc1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000155232694 565064891 /nfs/dbraw/zinc/06/48/91/565064891.db2.gz WZDFZGOOWNPRFR-UHFFFAOYSA-N -1 3 380.238 3.361 20 0 GGADHM O=C(NCCc1cccs1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112626420 565065022 /nfs/dbraw/zinc/06/50/22/565065022.db2.gz VXDSKXWVUCGVLQ-UHFFFAOYSA-N -1 3 377.263 3.325 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000112672512 565065242 /nfs/dbraw/zinc/06/52/42/565065242.db2.gz XYHCIKWNEWBZGQ-WMLDXEAASA-N -1 3 380.535 3.271 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2ncc(-c3cccs3)o2)[n-]1 ZINC000155267153 565065424 /nfs/dbraw/zinc/06/54/24/565065424.db2.gz SCNHGYJOJFLSPJ-VWLOTQADSA-N -1 3 389.380 3.366 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cc(-c3cccs3)on2)[n-]1 ZINC000155284699 565065726 /nfs/dbraw/zinc/06/57/26/565065726.db2.gz RZYJAAXLKFHRDY-RUZDIDTESA-N -1 3 389.380 3.366 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2ccc(OC(F)F)cc2)[n-]1 ZINC000155310299 565065953 /nfs/dbraw/zinc/06/59/53/565065953.db2.gz FRWPIVJIFIGMIO-VWLOTQADSA-N -1 3 382.310 3.251 20 0 GGADHM CN(CC(F)F)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000112900245 565067052 /nfs/dbraw/zinc/06/70/52/565067052.db2.gz FAKKPECJRMQWGC-UHFFFAOYSA-N -1 3 380.482 3.086 20 0 GGADHM CC[C@@H](CC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccc(C)cc1 ZINC000155510214 565068345 /nfs/dbraw/zinc/06/83/45/565068345.db2.gz GDSMHPFTQGUVLX-AWEZNQCLSA-N -1 3 380.535 3.165 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1 ZINC000155511122 565068510 /nfs/dbraw/zinc/06/85/10/565068510.db2.gz JHAFUUSPUQAPMW-CYBMUJFWSA-N -1 3 380.535 3.029 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000155543142 565068896 /nfs/dbraw/zinc/06/88/96/565068896.db2.gz BAFVNKPNHADLCA-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM Cc1cc(NC(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)n[nH]1 ZINC000113418662 565069778 /nfs/dbraw/zinc/06/97/78/565069778.db2.gz IIZHXAATOFCGTR-UHFFFAOYSA-N -1 3 382.511 3.033 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Cl)c1Cl ZINC000155764790 565071333 /nfs/dbraw/zinc/07/13/33/565071333.db2.gz FCCMRGDQKFEJMK-AMFBXLIHSA-N -1 3 392.304 3.238 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCC1)c1cc(F)ccc1Br ZINC000155748335 565071367 /nfs/dbraw/zinc/07/13/67/565071367.db2.gz JGUVUZZKXBAMSW-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(Cl)c1Cl ZINC000155765015 565071378 /nfs/dbraw/zinc/07/13/78/565071378.db2.gz FCCMRGDQKFEJMK-ZWZTZDBGSA-N -1 3 392.304 3.238 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000113947458 565071791 /nfs/dbraw/zinc/07/17/91/565071791.db2.gz QSYAHOAEWBQPFU-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CC1(c2ccccc2C)CCOCC1 ZINC000155835738 565071950 /nfs/dbraw/zinc/07/19/50/565071950.db2.gz YEJPLGJFXAAOFO-UHFFFAOYSA-N -1 3 381.519 3.092 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1OCCOC ZINC000114120150 565072463 /nfs/dbraw/zinc/07/24/63/565072463.db2.gz VZEBEFXHZPLRON-UHFFFAOYSA-N -1 3 384.420 3.119 20 0 GGADHM O=S(=O)([N-]C1CCN(CCSc2ccccc2)CC1)c1cccs1 ZINC000114206541 565072599 /nfs/dbraw/zinc/07/25/99/565072599.db2.gz QWOBZWSSDKPLRD-UHFFFAOYSA-N -1 3 382.576 3.283 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000114182387 565072664 /nfs/dbraw/zinc/07/26/64/565072664.db2.gz SDOCTONWWPTTBB-ABAIWWIYSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000114313489 565073693 /nfs/dbraw/zinc/07/36/93/565073693.db2.gz FLPUAEAVWGERTL-UHFFFAOYSA-N -1 3 379.825 3.411 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)cc(Cl)c1 ZINC000155989340 565073796 /nfs/dbraw/zinc/07/37/96/565073796.db2.gz KBCGOJUNMMBHML-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000156023010 565073967 /nfs/dbraw/zinc/07/39/67/565073967.db2.gz PQDZVRMUYLMUBX-UHFFFAOYSA-N -1 3 380.363 3.436 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000156027716 565073972 /nfs/dbraw/zinc/07/39/72/565073972.db2.gz JGXUGZHTMOCHED-UHFFFAOYSA-N -1 3 378.372 3.177 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C2CC2)s1 ZINC000156013724 565074019 /nfs/dbraw/zinc/07/40/19/565074019.db2.gz HBTRHEBANVRSSI-CYBMUJFWSA-N -1 3 382.898 3.411 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000156012836 565074107 /nfs/dbraw/zinc/07/41/07/565074107.db2.gz AHEQPWDUIUADPJ-UHFFFAOYSA-N -1 3 378.226 3.435 20 0 GGADHM CSc1nsc([N-]C(=O)c2nn(-c3ccccc3F)c3c2CCC3)n1 ZINC000156018980 565074109 /nfs/dbraw/zinc/07/41/09/565074109.db2.gz WZKBXCUDOPNKOS-UHFFFAOYSA-N -1 3 375.454 3.326 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C2CC2)s1 ZINC000156013834 565074114 /nfs/dbraw/zinc/07/41/14/565074114.db2.gz HBTRHEBANVRSSI-ZDUSSCGKSA-N -1 3 382.898 3.411 20 0 GGADHM O=C([N-]c1nccc2sccc21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000156046418 565074300 /nfs/dbraw/zinc/07/43/00/565074300.db2.gz GPYPVDJPQGYJFF-UHFFFAOYSA-N -1 3 393.515 3.395 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CCOCC1 ZINC000156072212 565074495 /nfs/dbraw/zinc/07/44/95/565074495.db2.gz PQLWNDPHDFFBHK-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(C)c1ccccc1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000156057312 565074524 /nfs/dbraw/zinc/07/45/24/565074524.db2.gz VLUJNIKXHKXIII-UHFFFAOYSA-N -1 3 381.523 3.146 20 0 GGADHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)cc1OC ZINC000114496797 565074700 /nfs/dbraw/zinc/07/47/00/565074700.db2.gz ZRBZBUBGBQPRHH-VIFPVBQESA-N -1 3 375.368 3.161 20 0 GGADHM NS(=O)(=O)c1cc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)co1 ZINC000156174770 565075553 /nfs/dbraw/zinc/07/55/53/565075553.db2.gz DVNZGQHFLGIHPL-UHFFFAOYSA-N -1 3 396.824 3.190 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156178455 565075665 /nfs/dbraw/zinc/07/56/65/565075665.db2.gz DAWACOVYHGTFHK-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM CC1(C)CCC(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000156291329 565078140 /nfs/dbraw/zinc/07/81/40/565078140.db2.gz PDCJAZQDJADLGX-UHFFFAOYSA-N -1 3 384.567 3.234 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000156304648 565079495 /nfs/dbraw/zinc/07/94/95/565079495.db2.gz ZWIJCXPXCBGQDB-VIFPVBQESA-N -1 3 382.707 3.338 20 0 GGADHM O=C(NC1Cc2ccccc2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000183571794 565079742 /nfs/dbraw/zinc/07/97/42/565079742.db2.gz UERXVUXRJQXOBO-UHFFFAOYSA-N -1 3 383.245 3.188 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)o1 ZINC000291843802 565080319 /nfs/dbraw/zinc/08/03/19/565080319.db2.gz HFZLDONZEHNEKD-UHFFFAOYSA-N -1 3 385.873 3.026 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000156332301 565080303 /nfs/dbraw/zinc/08/03/03/565080303.db2.gz OOXMLMLKXXAVAD-NWDGAFQWSA-N -1 3 379.400 3.181 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H](CO)c1cccc(Br)c1 ZINC000183597856 565080595 /nfs/dbraw/zinc/08/05/95/565080595.db2.gz CEHSYYOYKOWBOR-OAHLLOKOSA-N -1 3 384.657 3.200 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000156350947 565081403 /nfs/dbraw/zinc/08/14/03/565081403.db2.gz JFBROCUHOQCAIC-JTQLQIEISA-N -1 3 382.707 3.338 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000156350855 565081864 /nfs/dbraw/zinc/08/18/64/565081864.db2.gz JFBROCUHOQCAIC-SNVBAGLBSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1cccc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)c1[O-] ZINC000156344001 565081875 /nfs/dbraw/zinc/08/18/75/565081875.db2.gz OAYYGXITBYRFNV-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM COC[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000183615168 565082015 /nfs/dbraw/zinc/08/20/15/565082015.db2.gz WJEBDLWVFIVVEA-URWSZGRFSA-N -1 3 384.270 3.062 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000156374609 565082830 /nfs/dbraw/zinc/08/28/30/565082830.db2.gz YNPYECQFUUWYHV-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM C[C@H](CC(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccc(F)c(Br)c1 ZINC000291869911 565082828 /nfs/dbraw/zinc/08/28/28/565082828.db2.gz ICFJLZAGKGMWLK-SNVBAGLBSA-N -1 3 394.244 3.162 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)cnn1C ZINC000291906465 565085267 /nfs/dbraw/zinc/08/52/67/565085267.db2.gz LMGTVYFFVMJUSF-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM O=C([N-]c1ncc(Cl)s1)c1cc(Cn2cc(Br)cn2)on1 ZINC000156427013 565087299 /nfs/dbraw/zinc/08/72/99/565087299.db2.gz HLOGPZQRFCHZOJ-UHFFFAOYSA-N -1 3 388.634 3.044 20 0 GGADHM Cc1nc([N-]C(=O)c2csc(-c3cc(Br)cs3)n2)n(C)n1 ZINC000183672894 565087809 /nfs/dbraw/zinc/08/78/09/565087809.db2.gz WWVRRJPQWYCWBH-UHFFFAOYSA-N -1 3 384.284 3.323 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)sc1C ZINC000156478286 565089450 /nfs/dbraw/zinc/08/94/50/565089450.db2.gz LGSJDNBPGJNEEV-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1cc(F)ccc1Br ZINC000156491229 565090543 /nfs/dbraw/zinc/09/05/43/565090543.db2.gz LOMXXQLKZQTWMZ-UHFFFAOYSA-N -1 3 388.258 3.083 20 0 GGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000156513729 565091010 /nfs/dbraw/zinc/09/10/10/565091010.db2.gz IHZXIXLMWWZMCR-UHFFFAOYSA-N -1 3 386.315 3.417 20 0 GGADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156532267 565092121 /nfs/dbraw/zinc/09/21/21/565092121.db2.gz RIHDEJXKYFKBOS-AWEZNQCLSA-N -1 3 397.313 3.198 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000183748855 565092551 /nfs/dbraw/zinc/09/25/51/565092551.db2.gz OGIQUUYAXBWCPZ-SECBINFHSA-N -1 3 398.294 3.079 20 0 GGADHM CCC(=O)N[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000156554945 565093342 /nfs/dbraw/zinc/09/33/42/565093342.db2.gz XSCWLEFDSDCIGM-QGZVFWFLSA-N -1 3 391.265 3.038 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000156540501 565093608 /nfs/dbraw/zinc/09/36/08/565093608.db2.gz FRSJWAQMJBFCJE-GFCCVEGCSA-N -1 3 383.491 3.428 20 0 GGADHM C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292034019 565093781 /nfs/dbraw/zinc/09/37/81/565093781.db2.gz XAZJYOIQSJORQD-SMDDNHRTSA-N -1 3 392.297 3.115 20 0 GGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2nnc(C(C)(C)C)s2)n1 ZINC000292030342 565093869 /nfs/dbraw/zinc/09/38/69/565093869.db2.gz YELPFBSSGCTBLV-UHFFFAOYSA-N -1 3 382.511 3.385 20 0 GGADHM Cc1noc(-c2ccccc2C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000156550503 565094179 /nfs/dbraw/zinc/09/41/79/565094179.db2.gz IPHHUGVIXMSJTM-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000156570706 565095142 /nfs/dbraw/zinc/09/51/42/565095142.db2.gz AHUORPZAXCMFQX-UFBFGSQYSA-N -1 3 397.722 3.005 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000156657470 565099792 /nfs/dbraw/zinc/09/97/92/565099792.db2.gz GTWPUYPIUTWJBS-DYVFJYSZSA-N -1 3 389.293 3.405 20 0 GGADHM CC(C)c1cnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1C ZINC000267038824 565102365 /nfs/dbraw/zinc/10/23/65/565102365.db2.gz MTWSVLPFUHDDJR-GFCCVEGCSA-N -1 3 381.523 3.279 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)sc1C ZINC000156752072 565103581 /nfs/dbraw/zinc/10/35/81/565103581.db2.gz WNFFXCPXQBPKAI-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC(C)(OC)CC2)cc(Br)c1[O-] ZINC000292235577 565106724 /nfs/dbraw/zinc/10/67/24/565106724.db2.gz PVPWUYXRMDMIHQ-SNAWJCMRSA-N -1 3 384.270 3.204 20 0 GGADHM C[C@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)cc1Cl ZINC000183986030 565108174 /nfs/dbraw/zinc/10/81/74/565108174.db2.gz XIHDVBLVIFCNEK-JTQLQIEISA-N -1 3 388.272 3.350 20 0 GGADHM COc1cccc2c1CCN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000183987270 565108294 /nfs/dbraw/zinc/10/82/94/565108294.db2.gz ZMZOIJZCIZRYEE-UHFFFAOYSA-N -1 3 391.265 3.431 20 0 GGADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000636355428 565109658 /nfs/dbraw/zinc/10/96/58/565109658.db2.gz OWTILKJKWBCAMF-ZDUSSCGKSA-N -1 3 375.841 3.481 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCOCC1 ZINC000292346267 565111552 /nfs/dbraw/zinc/11/15/52/565111552.db2.gz PIQGMVWIJGDEDE-UHFFFAOYSA-N -1 3 382.309 3.023 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)on1 ZINC000184169725 565117820 /nfs/dbraw/zinc/11/78/20/565117820.db2.gz VHSOJTGGWCSBNF-UHFFFAOYSA-N -1 3 381.251 3.377 20 0 GGADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000292456752 565117821 /nfs/dbraw/zinc/11/78/21/565117821.db2.gz GLTVPMCFYGQBMD-UHFFFAOYSA-N -1 3 399.266 3.115 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCSC3(CCCCC3)C2)ccc1F ZINC000267492091 565119505 /nfs/dbraw/zinc/11/95/05/565119505.db2.gz OFOUBJLFNNYERS-UHFFFAOYSA-N -1 3 386.514 3.089 20 0 GGADHM CS(=O)(=O)N1CCc2c1cccc2NCc1cc([O-])ccc1Br ZINC000184222654 565120089 /nfs/dbraw/zinc/12/00/89/565120089.db2.gz MXEOTRUJPBHHIE-UHFFFAOYSA-N -1 3 397.294 3.089 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)s1 ZINC000267521324 565120847 /nfs/dbraw/zinc/12/08/47/565120847.db2.gz GKARQJGKSJQUPZ-UHFFFAOYSA-N -1 3 394.547 3.190 20 0 GGADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000292553209 565122042 /nfs/dbraw/zinc/12/20/42/565122042.db2.gz HSMLYTSIDKXVBB-ZDUSSCGKSA-N -1 3 385.869 3.135 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000157193428 565122958 /nfs/dbraw/zinc/12/29/58/565122958.db2.gz DJBFMQIXVBDOKW-ZDUSSCGKSA-N -1 3 386.564 3.009 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1cc(Br)ccc1Cl ZINC000184270469 565123972 /nfs/dbraw/zinc/12/39/72/565123972.db2.gz PODJOGFOMYZIEI-LLVKDONJSA-N -1 3 394.674 3.098 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(Cl)cc1C(F)(F)F ZINC000184264883 565124262 /nfs/dbraw/zinc/12/42/62/565124262.db2.gz MBIQPUURZQECTC-LLVKDONJSA-N -1 3 383.775 3.354 20 0 GGADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c1 ZINC000292612395 565124605 /nfs/dbraw/zinc/12/46/05/565124605.db2.gz RFDVHWDNOPBJML-UHFFFAOYSA-N -1 3 395.278 3.472 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000184272073 565125412 /nfs/dbraw/zinc/12/54/12/565125412.db2.gz BAUIZRGHTZYPAH-UHFFFAOYSA-N -1 3 397.298 3.186 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1Cl ZINC000184278422 565125433 /nfs/dbraw/zinc/12/54/33/565125433.db2.gz NTUVRENLABYKQH-LLVKDONJSA-N -1 3 383.775 3.354 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1 ZINC000267661613 565125819 /nfs/dbraw/zinc/12/58/19/565125819.db2.gz WVFJUPQSXQIKJA-MRVPVSSYSA-N -1 3 398.403 3.487 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000184331274 565129208 /nfs/dbraw/zinc/12/92/08/565129208.db2.gz JLWJHZZDVVNVKT-CYBMUJFWSA-N -1 3 378.441 3.348 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)s1 ZINC000267814371 565130674 /nfs/dbraw/zinc/13/06/74/565130674.db2.gz WNTNXPZICSFHQM-VIFPVBQESA-N -1 3 390.889 3.216 20 0 GGADHM CSc1nsc([N-]C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)n1 ZINC000267808651 565130941 /nfs/dbraw/zinc/13/09/41/565130941.db2.gz MKUJPLLVGYPTPT-UHFFFAOYSA-N -1 3 383.520 3.229 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ccnc(Br)c2)CC1 ZINC000292746684 565132050 /nfs/dbraw/zinc/13/20/50/565132050.db2.gz HTRZQHZKAZBHMG-UHFFFAOYSA-N -1 3 390.281 3.400 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1Cl ZINC000157436020 565133002 /nfs/dbraw/zinc/13/30/02/565133002.db2.gz BNRGUWZZAZODBS-LLVKDONJSA-N -1 3 390.267 3.085 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1C ZINC000157522067 565135202 /nfs/dbraw/zinc/13/52/02/565135202.db2.gz NEXUWGSDHPKWFG-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1nccs1 ZINC000157661765 565139647 /nfs/dbraw/zinc/13/96/47/565139647.db2.gz XDUMGIUGUIZTJU-UHFFFAOYSA-N -1 3 396.515 3.358 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCC1 ZINC000292875926 565139777 /nfs/dbraw/zinc/13/97/77/565139777.db2.gz SXOTWTHOUIJHSW-UHFFFAOYSA-N -1 3 392.880 3.065 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000184517880 565140174 /nfs/dbraw/zinc/14/01/74/565140174.db2.gz AFFJDCSCMPQERT-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)c3sccc3Br)[n-]c21 ZINC000157766785 565143196 /nfs/dbraw/zinc/14/31/96/565143196.db2.gz GOUQLOXOMNSMCA-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sccc3Br)nc21 ZINC000157766785 565143203 /nfs/dbraw/zinc/14/32/03/565143203.db2.gz GOUQLOXOMNSMCA-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000157793329 565145356 /nfs/dbraw/zinc/14/53/56/565145356.db2.gz OYJGCAUPDRDBDW-LSDHHAIUSA-N -1 3 379.503 3.224 20 0 GGADHM CCN(CC(F)F)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000184654391 565149915 /nfs/dbraw/zinc/14/99/15/565149915.db2.gz FCCVURTWTCYKFQ-UHFFFAOYSA-N -1 3 394.490 3.015 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)SC)cc1Cl ZINC000157972338 565151854 /nfs/dbraw/zinc/15/18/54/565151854.db2.gz CYPYBRWMYMRRQC-ZETCQYMHSA-N -1 3 388.736 3.141 20 0 GGADHM CCOC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccncc2C)c1 ZINC000158036911 565154411 /nfs/dbraw/zinc/15/44/11/565154411.db2.gz KRKHFOUEZNWTEJ-UHFFFAOYSA-N -1 3 399.266 3.130 20 0 GGADHM COCc1nc(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000268483463 565154540 /nfs/dbraw/zinc/15/45/40/565154540.db2.gz JWROCVULCBQNNN-QMMMGPOBSA-N -1 3 375.281 3.227 20 0 GGADHM O=C(COc1ccccc1Br)[N-]c1nncn1Cc1ccccc1 ZINC000158049797 565154852 /nfs/dbraw/zinc/15/48/52/565154852.db2.gz BRSNPXFFTJVYFJ-UHFFFAOYSA-N -1 3 387.237 3.106 20 0 GGADHM COCc1nc(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)n[n-]1 ZINC000268509429 565155894 /nfs/dbraw/zinc/15/58/94/565155894.db2.gz WAQHYFHCHXKABX-UHFFFAOYSA-N -1 3 375.281 3.009 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccnc1 ZINC000293212365 565157343 /nfs/dbraw/zinc/15/73/43/565157343.db2.gz VABWPJBDETYXPG-CYBMUJFWSA-N -1 3 394.440 3.200 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccnc1 ZINC000293212375 565157433 /nfs/dbraw/zinc/15/74/33/565157433.db2.gz VABWPJBDETYXPG-ZDUSSCGKSA-N -1 3 394.440 3.200 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)cs1 ZINC000268557585 565157738 /nfs/dbraw/zinc/15/77/38/565157738.db2.gz NZZWVCKQAOSLCU-JTQLQIEISA-N -1 3 388.898 3.185 20 0 GGADHM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293293383 565160941 /nfs/dbraw/zinc/16/09/41/565160941.db2.gz ZCAVHUZYSNGZKH-SECBINFHSA-N -1 3 379.429 3.200 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2cccs2)c1 ZINC000158257434 565162804 /nfs/dbraw/zinc/16/28/04/565162804.db2.gz FFKCPEAVWGQMIF-QMTHXVAHSA-N -1 3 387.910 3.395 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000268766429 565166193 /nfs/dbraw/zinc/16/61/93/565166193.db2.gz BXPJDBQQLBEBNB-NSHDSACASA-N -1 3 376.265 3.081 20 0 GGADHM O=S1(=O)CC[C@H](SCc2nc(-c3ccc([O-])c4ccccc34)no2)C1 ZINC000293482963 565170012 /nfs/dbraw/zinc/17/00/12/565170012.db2.gz SZVCGDFUJYMOJY-NSHDSACASA-N -1 3 376.459 3.016 20 0 GGADHM O=S1(=O)CC[C@@H](SCc2nc(-c3ccc([O-])c4ccccc34)no2)C1 ZINC000293482960 565170293 /nfs/dbraw/zinc/17/02/93/565170293.db2.gz SZVCGDFUJYMOJY-LLVKDONJSA-N -1 3 376.459 3.016 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)cc1Cl ZINC000158473038 565171630 /nfs/dbraw/zinc/17/16/30/565171630.db2.gz OJLYXEOLEUYEAX-ZDUSSCGKSA-N -1 3 376.261 3.014 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)o1 ZINC000185009818 565171790 /nfs/dbraw/zinc/17/17/90/565171790.db2.gz YKFMSDSOMVMJPN-UHFFFAOYSA-N -1 3 381.251 3.377 20 0 GGADHM CC(C)NS(=O)(=O)Cc1ccccc1CNCc1cccc([O-])c1Cl ZINC000293590611 565176658 /nfs/dbraw/zinc/17/66/58/565176658.db2.gz OHPFGVKSIZEICX-UHFFFAOYSA-N -1 3 382.913 3.163 20 0 GGADHM CSCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000185077198 565176709 /nfs/dbraw/zinc/17/67/09/565176709.db2.gz SBJLSUCIWWVCPG-UHFFFAOYSA-N -1 3 390.939 3.182 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000158681331 565177227 /nfs/dbraw/zinc/17/72/27/565177227.db2.gz HWGWJLIFIOQWGN-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000158657038 565177905 /nfs/dbraw/zinc/17/79/05/565177905.db2.gz WKRZZCYAYXYYGG-UHFFFAOYSA-N -1 3 381.127 3.296 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000158657038 565177908 /nfs/dbraw/zinc/17/79/08/565177908.db2.gz WKRZZCYAYXYYGG-UHFFFAOYSA-N -1 3 381.127 3.296 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2scnc2CC)c(F)cc1F ZINC000158700825 565178508 /nfs/dbraw/zinc/17/85/08/565178508.db2.gz GORIVJZKJDMDDQ-UHFFFAOYSA-N -1 3 389.449 3.388 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)CCC(=O)N2 ZINC000158722565 565178940 /nfs/dbraw/zinc/17/89/40/565178940.db2.gz VQABIGMSFBGRJZ-UHFFFAOYSA-N -1 3 390.237 3.361 20 0 GGADHM CCCOc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000158734786 565179510 /nfs/dbraw/zinc/17/95/10/565179510.db2.gz UDZZFZIENITXJP-AWEZNQCLSA-N -1 3 376.906 3.031 20 0 GGADHM CCCOc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000158734919 565179539 /nfs/dbraw/zinc/17/95/39/565179539.db2.gz UDZZFZIENITXJP-CQSZACIVSA-N -1 3 376.906 3.031 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000158748606 565179841 /nfs/dbraw/zinc/17/98/41/565179841.db2.gz ISGDISAMTUJUPC-ZETCQYMHSA-N -1 3 379.301 3.197 20 0 GGADHM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000293669742 565180427 /nfs/dbraw/zinc/18/04/27/565180427.db2.gz KFLNEFCSFGUMLV-UHFFFAOYSA-N -1 3 377.857 3.373 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CC)CCC)cc1 ZINC000158805471 565183504 /nfs/dbraw/zinc/18/35/04/565183504.db2.gz VOJYYBLRRXOWDD-CQSZACIVSA-N -1 3 376.544 3.085 20 0 GGADHM CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1c(F)ccc([O-])c1F ZINC000293774726 565183741 /nfs/dbraw/zinc/18/37/41/565183741.db2.gz ANWGGUDDEBVABT-UHFFFAOYSA-N -1 3 391.823 3.359 20 0 GGADHM CCCCSCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000158806396 565183858 /nfs/dbraw/zinc/18/38/58/565183858.db2.gz NZZORMGMRKPZRD-UHFFFAOYSA-N -1 3 398.472 3.389 20 0 GGADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000158838335 565184200 /nfs/dbraw/zinc/18/42/00/565184200.db2.gz WFNXIUHTPKOOST-RYUDHWBXSA-N -1 3 378.416 3.292 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000158845514 565184312 /nfs/dbraw/zinc/18/43/12/565184312.db2.gz NSHYGOIDIFXVAJ-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000158874588 565185866 /nfs/dbraw/zinc/18/58/66/565185866.db2.gz OTRSYPCCEHFGTF-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(Cl)c1 ZINC000158891869 565186442 /nfs/dbraw/zinc/18/64/42/565186442.db2.gz VHWCIZTVXSJPLI-UHFFFAOYSA-N -1 3 378.881 3.379 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1 ZINC000158889883 565186530 /nfs/dbraw/zinc/18/65/30/565186530.db2.gz NFGPJLLMZDLYKV-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1nccs1 ZINC000158873137 565186543 /nfs/dbraw/zinc/18/65/43/565186543.db2.gz WDKBZMCIWOLOBX-OAHLLOKOSA-N -1 3 388.898 3.187 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccnn1Cc1ccccc1Br ZINC000158919275 565186939 /nfs/dbraw/zinc/18/69/39/565186939.db2.gz SAMAZOBJQBOPOU-HNNXBMFYSA-N -1 3 395.257 3.274 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1ccccc1C(F)(F)F ZINC000269343537 565186954 /nfs/dbraw/zinc/18/69/54/565186954.db2.gz PQAJPRNVQBJWHZ-LBPRGKRZSA-N -1 3 395.468 3.429 20 0 GGADHM COc1cc(Cl)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000293839091 565187148 /nfs/dbraw/zinc/18/71/48/565187148.db2.gz WUVAWTYWFZZETC-JTQLQIEISA-N -1 3 388.898 3.024 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1cccc(Cl)c1F ZINC000269368647 565188855 /nfs/dbraw/zinc/18/88/55/565188855.db2.gz YALOPJQSTUYAJZ-NSHDSACASA-N -1 3 379.906 3.202 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1ccc(Br)cc1F ZINC000185266016 565191967 /nfs/dbraw/zinc/19/19/67/565191967.db2.gz AMTORAVBPDSCAA-LBPRGKRZSA-N -1 3 392.290 3.358 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293969588 565193167 /nfs/dbraw/zinc/19/31/67/565193167.db2.gz CZBLIZAXAOXTKY-UHFFFAOYSA-N -1 3 382.913 3.366 20 0 GGADHM Cn1cnnc1[N-]C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000159063912 565193295 /nfs/dbraw/zinc/19/32/95/565193295.db2.gz HUCXQOCXIUSPGK-UHFFFAOYSA-N -1 3 377.198 3.002 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000269708170 565197682 /nfs/dbraw/zinc/19/76/82/565197682.db2.gz MZSLREYXRLVIOZ-UHFFFAOYSA-N -1 3 395.893 3.106 20 0 GGADHM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000159340977 565202685 /nfs/dbraw/zinc/20/26/85/565202685.db2.gz JNJZNRNNQGTCGM-JTQLQIEISA-N -1 3 389.308 3.002 20 0 GGADHM Cn1nc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc1OC(F)F ZINC000185473457 565203784 /nfs/dbraw/zinc/20/37/84/565203784.db2.gz STCQKYWETWMQCB-UHFFFAOYSA-N -1 3 385.783 3.446 20 0 GGADHM COCCOCCS(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1 ZINC000269981546 565204642 /nfs/dbraw/zinc/20/46/42/565204642.db2.gz RBNZCINFIITVBW-UHFFFAOYSA-N -1 3 388.536 3.007 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2csc(Br)c2C)s1 ZINC000185528059 565206773 /nfs/dbraw/zinc/20/67/73/565206773.db2.gz BGHPLFCLDPSVBS-UHFFFAOYSA-N -1 3 390.284 3.028 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1nnc2n1CCCCC2 ZINC000270227271 565212123 /nfs/dbraw/zinc/21/21/23/565212123.db2.gz URIMRMXDMCZQLL-CQSZACIVSA-N -1 3 386.880 3.227 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000270227267 565212389 /nfs/dbraw/zinc/21/23/89/565212389.db2.gz UQZQXSRAHXTNBL-UHFFFAOYSA-N -1 3 390.908 3.185 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCSCC(C)C)cc1Cl ZINC000270228738 565212437 /nfs/dbraw/zinc/21/24/37/565212437.db2.gz OEAOOCHIARVDGR-UHFFFAOYSA-N -1 3 382.910 3.105 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1CN1CCOCC1 ZINC000270400972 565216959 /nfs/dbraw/zinc/21/69/59/565216959.db2.gz VQQWCTKALLXINZ-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)c1[O-] ZINC000270400740 565217130 /nfs/dbraw/zinc/21/71/30/565217130.db2.gz VVHNVXDLYXDPDK-KCQAQPDRSA-N -1 3 383.901 3.018 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159787023 565217717 /nfs/dbraw/zinc/21/77/17/565217717.db2.gz ZUMFWSBSGJRTCQ-UHFFFAOYSA-N -1 3 377.169 3.388 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000270582304 565222283 /nfs/dbraw/zinc/22/22/83/565222283.db2.gz QKUPSCLZFLKOAJ-ZETCQYMHSA-N -1 3 382.795 3.079 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000270582301 565222775 /nfs/dbraw/zinc/22/27/75/565222775.db2.gz QKUPSCLZFLKOAJ-SSDOTTSWSA-N -1 3 382.795 3.079 20 0 GGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 ZINC000270588886 565223244 /nfs/dbraw/zinc/22/32/44/565223244.db2.gz SFEOLVVTUCBVHT-QMMMGPOBSA-N -1 3 380.367 3.126 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-][C@@H]3CCC[C@@H](C(F)(F)F)C3)cc12 ZINC000186041142 565236868 /nfs/dbraw/zinc/23/68/68/565236868.db2.gz RGCUKZULMJYWOU-NXEZZACHSA-N -1 3 377.388 3.185 20 0 GGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)s1 ZINC000186144336 565242308 /nfs/dbraw/zinc/24/23/08/565242308.db2.gz CMNKRQNNLZYIAR-UHFFFAOYSA-N -1 3 382.829 3.410 20 0 GGADHM O=S(=O)([N-]Cc1ccco1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186167427 565243312 /nfs/dbraw/zinc/24/33/12/565243312.db2.gz ZZLWAOWPWHHDML-HNNXBMFYSA-N -1 3 385.869 3.359 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccc(F)cc1Br ZINC000186172238 565245119 /nfs/dbraw/zinc/24/51/19/565245119.db2.gz FKJSZKYCUCGHMR-LBPRGKRZSA-N -1 3 380.279 3.216 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)c1nccs1 ZINC000295103287 565245653 /nfs/dbraw/zinc/24/56/53/565245653.db2.gz HJBLVKPKFQOXKY-ZETCQYMHSA-N -1 3 396.719 3.036 20 0 GGADHM O=S(=O)([N-]Cc1cccs1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186192798 565246510 /nfs/dbraw/zinc/24/65/10/565246510.db2.gz PXOKUEYUMMMOBS-LBPRGKRZSA-N -1 3 387.910 3.295 20 0 GGADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C[C@H]1C ZINC000271300900 565247163 /nfs/dbraw/zinc/24/71/63/565247163.db2.gz BYQUISVMAWTMBB-NXEZZACHSA-N -1 3 396.228 3.273 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)c1 ZINC000186224221 565248665 /nfs/dbraw/zinc/24/86/65/565248665.db2.gz WTNVIASZFHVJFP-UHFFFAOYSA-N -1 3 388.873 3.130 20 0 GGADHM O=C(c1csc(=O)[n-]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000372751743 565252374 /nfs/dbraw/zinc/25/23/74/565252374.db2.gz NTLNWBZYNDIICH-UHFFFAOYSA-N -1 3 383.267 3.295 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cc1OC ZINC000295234805 565252765 /nfs/dbraw/zinc/25/27/65/565252765.db2.gz UCORHNTZBXFROB-LBPRGKRZSA-N -1 3 396.412 3.051 20 0 GGADHM CCOc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000186318706 565254803 /nfs/dbraw/zinc/25/48/03/565254803.db2.gz RGRXHSKHEJLWIC-UHFFFAOYSA-N -1 3 394.269 3.119 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000295270260 565256427 /nfs/dbraw/zinc/25/64/27/565256427.db2.gz RZMMALGFMJFREM-MRVPVSSYSA-N -1 3 378.388 3.407 20 0 GGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000295267114 565256915 /nfs/dbraw/zinc/25/69/15/565256915.db2.gz LSLIBOFRZKQXBD-UHFFFAOYSA-N -1 3 382.795 3.079 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000186484567 565263445 /nfs/dbraw/zinc/26/34/45/565263445.db2.gz UWAUEXQTPXQMEB-INIZCTEOSA-N -1 3 396.212 3.213 20 0 GGADHM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2ccc(F)cc2)cn1 ZINC000186498879 565263870 /nfs/dbraw/zinc/26/38/70/565263870.db2.gz CTSCFYDKWGNKQF-HNNXBMFYSA-N -1 3 385.873 3.342 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2scnc2C)s1 ZINC000295433457 565266253 /nfs/dbraw/zinc/26/62/53/565266253.db2.gz JLWXIXNSLTXTQK-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000271738796 565266340 /nfs/dbraw/zinc/26/63/40/565266340.db2.gz WTMKGSBNIVALKG-AAEUAGOBSA-N -1 3 380.279 3.070 20 0 GGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000271738800 565266375 /nfs/dbraw/zinc/26/63/75/565266375.db2.gz WTMKGSBNIVALKG-WCQYABFASA-N -1 3 380.279 3.070 20 0 GGADHM Cn1cnnc1-c1cncc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000186619854 565272613 /nfs/dbraw/zinc/27/26/13/565272613.db2.gz LMJNHTLNZZDWPS-UHFFFAOYSA-N -1 3 398.275 3.126 20 0 GGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1 ZINC000186649117 565274519 /nfs/dbraw/zinc/27/45/19/565274519.db2.gz SUPNYAXHVCBKTR-SJORKVTESA-N -1 3 382.243 3.438 20 0 GGADHM CC(C)c1cc(C(=O)[N-]c2ncc(F)cc2I)on1 ZINC000271981945 565274782 /nfs/dbraw/zinc/27/47/82/565274782.db2.gz FUEMWVWNOSLNKN-UHFFFAOYSA-N -1 3 375.141 3.189 20 0 GGADHM O=S(=O)([N-]Cc1ccoc1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186667375 565275432 /nfs/dbraw/zinc/27/54/32/565275432.db2.gz APKHEWFCLUJKKV-OAHLLOKOSA-N -1 3 385.869 3.359 20 0 GGADHM O=S(=O)([N-]c1c(F)cc(Cl)cc1F)c1cnn(CC(F)(F)F)c1 ZINC000186666884 565275673 /nfs/dbraw/zinc/27/56/73/565275673.db2.gz WSANAKVVTCNBQI-UHFFFAOYSA-N -1 3 375.706 3.178 20 0 GGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186659558 565275920 /nfs/dbraw/zinc/27/59/20/565275920.db2.gz JKYGIDJSXITEBN-MELADBBJSA-N -1 3 375.918 3.468 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1ccc(C)o1 ZINC000272083352 565276968 /nfs/dbraw/zinc/27/69/68/565276968.db2.gz BIXOYBXMRGLRIW-LBPRGKRZSA-N -1 3 375.393 3.246 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000295647892 565278420 /nfs/dbraw/zinc/27/84/20/565278420.db2.gz QAZKZWFQXOCYFP-ZDUSSCGKSA-N -1 3 377.491 3.330 20 0 GGADHM Cc1ccc(SC[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000186693892 565278446 /nfs/dbraw/zinc/27/84/46/565278446.db2.gz WRFSBBHHELEGGK-UONOGXRCSA-N -1 3 398.575 3.020 20 0 GGADHM Cc1ccc(SC[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000186693907 565278663 /nfs/dbraw/zinc/27/86/63/565278663.db2.gz WRFSBBHHELEGGK-KGLIPLIRSA-N -1 3 398.575 3.020 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C)c1nccs1 ZINC000186690245 565278780 /nfs/dbraw/zinc/27/87/80/565278780.db2.gz DESYMGONGXDUAN-SNVBAGLBSA-N -1 3 396.515 3.226 20 0 GGADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(F)(F)F ZINC000272175734 565279150 /nfs/dbraw/zinc/27/91/50/565279150.db2.gz IBROSGHRPPSXEY-GFCCVEGCSA-N -1 3 384.395 3.294 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(F)(F)F ZINC000272175737 565280614 /nfs/dbraw/zinc/28/06/14/565280614.db2.gz IBROSGHRPPSXEY-LBPRGKRZSA-N -1 3 384.395 3.294 20 0 GGADHM Clc1ccc(-n2cc(C[N-]c3nnc([C@H]4CCCO4)o3)nn2)c(Cl)c1 ZINC000272301586 565283864 /nfs/dbraw/zinc/28/38/64/565283864.db2.gz WTBBITQXVXFNPD-CYBMUJFWSA-N -1 3 381.223 3.421 20 0 GGADHM Cc1oc2ccc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)cc2c1C ZINC000186784993 565285962 /nfs/dbraw/zinc/28/59/62/565285962.db2.gz SQISMGANNXDOBN-UHFFFAOYSA-N -1 3 378.475 3.418 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186814700 565287541 /nfs/dbraw/zinc/28/75/41/565287541.db2.gz PCWSYAAHTXBKRE-UHFFFAOYSA-N -1 3 386.926 3.496 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(F)cc1Br ZINC000186899502 565294458 /nfs/dbraw/zinc/29/44/58/565294458.db2.gz NOSRVEKPTNPUBS-UHFFFAOYSA-N -1 3 399.216 3.497 20 0 GGADHM CCS(=O)(=O)c1ccc(Br)c(C(=O)[N-]c2c(C)noc2C)c1 ZINC000272712221 565295208 /nfs/dbraw/zinc/29/52/08/565295208.db2.gz IJWWEJFASPQXLG-UHFFFAOYSA-N -1 3 387.255 3.100 20 0 GGADHM CCCCCS(=O)(=O)CC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000295963617 565295426 /nfs/dbraw/zinc/29/54/26/565295426.db2.gz HPAJMJOSGYHVSL-UHFFFAOYSA-N -1 3 378.288 3.007 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cn2cc(Br)cn2)on1 ZINC000161883501 565296744 /nfs/dbraw/zinc/29/67/44/565296744.db2.gz QTUAULGPRAGKFZ-UHFFFAOYSA-N -1 3 397.616 3.293 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(N2CCCC2)nn1 ZINC000295997283 565297690 /nfs/dbraw/zinc/29/76/90/565297690.db2.gz JRKGQZPWGGIZQF-UHFFFAOYSA-N -1 3 377.242 3.106 20 0 GGADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])cnn1C1CCOCC1 ZINC000161929218 565298070 /nfs/dbraw/zinc/29/80/70/565298070.db2.gz ZPEUQFBJVYBTLI-UHFFFAOYSA-N -1 3 380.242 3.263 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000296027518 565298725 /nfs/dbraw/zinc/29/87/25/565298725.db2.gz NKVGRTUYSNZJNH-UHFFFAOYSA-N -1 3 392.706 3.045 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000296016845 565298801 /nfs/dbraw/zinc/29/88/01/565298801.db2.gz KVGGPLPMMCIJIT-UHFFFAOYSA-N -1 3 391.269 3.108 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccn1 ZINC000161981318 565300217 /nfs/dbraw/zinc/30/02/17/565300217.db2.gz MIGVMKTUIWBZFB-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000162010610 565301868 /nfs/dbraw/zinc/30/18/68/565301868.db2.gz LAOABFJBGJMEFC-SNVBAGLBSA-N -1 3 376.247 3.481 20 0 GGADHM O=c1nc(CSCc2ccccc2)[n-]c2sc3c(c21)CCS(=O)(=O)C3 ZINC000272907200 565302383 /nfs/dbraw/zinc/30/23/83/565302383.db2.gz KUCUTPYQZMWSTF-UHFFFAOYSA-N -1 3 392.527 3.301 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1ccc(Br)cc1F ZINC000162042339 565303076 /nfs/dbraw/zinc/30/30/76/565303076.db2.gz JKGIAVVZZIXXRM-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2ncc(C3CCCCC3)s2)o1 ZINC000273026138 565304669 /nfs/dbraw/zinc/30/46/69/565304669.db2.gz SWOACSIVCZPURX-UHFFFAOYSA-N -1 3 383.495 3.286 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)[C@H]2CCO[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000296253246 565308952 /nfs/dbraw/zinc/30/89/52/565308952.db2.gz LOQKPDAOCZLKQF-NHYWBVRUSA-N -1 3 384.885 3.290 20 0 GGADHM COc1cc(OC)c(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1Br ZINC000162288490 565311306 /nfs/dbraw/zinc/31/13/06/565311306.db2.gz QFHMKNHCQWHQPA-VIFPVBQESA-N -1 3 384.230 3.202 20 0 GGADHM C[C@H](NCCCNC(=O)c1cccc([O-])c1)c1ncc(Br)cc1F ZINC000187136257 565312637 /nfs/dbraw/zinc/31/26/37/565312637.db2.gz KXPKMQDWKLOFQD-NSHDSACASA-N -1 3 396.260 3.160 20 0 GGADHM COc1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)nc1Br ZINC000273238001 565313248 /nfs/dbraw/zinc/31/32/48/565313248.db2.gz SPCWUNVFYLIAJR-UHFFFAOYSA-N -1 3 397.176 3.061 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000296398400 565316366 /nfs/dbraw/zinc/31/63/66/565316366.db2.gz TUSSQBOBLGPNJY-CYBMUJFWSA-N -1 3 387.477 3.450 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@@]2(C)CCCO)cc(Br)c1[O-] ZINC000273309546 565316480 /nfs/dbraw/zinc/31/64/80/565316480.db2.gz HMMMDBRZRWSNJI-QWNKOJSDSA-N -1 3 398.297 3.330 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)c3cc(Br)cs3)[n-]c21 ZINC000162489056 565318798 /nfs/dbraw/zinc/31/87/98/565318798.db2.gz RYMOYDSXRFNNRJ-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Br)cs3)nc21 ZINC000162489056 565318803 /nfs/dbraw/zinc/31/88/03/565318803.db2.gz RYMOYDSXRFNNRJ-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnc(Br)c(Br)c1 ZINC000162528639 565320070 /nfs/dbraw/zinc/32/00/70/565320070.db2.gz MOHJMCHDMWMOMY-SECBINFHSA-N -1 3 395.051 3.186 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnc(Br)c(Br)c1 ZINC000162528639 565320072 /nfs/dbraw/zinc/32/00/72/565320072.db2.gz MOHJMCHDMWMOMY-SECBINFHSA-N -1 3 395.051 3.186 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)Cc3cccc(Br)c3)[n-]c21 ZINC000162540619 565320109 /nfs/dbraw/zinc/32/01/09/565320109.db2.gz VDUNKWBQUAMBBZ-UHFFFAOYSA-N -1 3 388.221 3.293 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(Br)c3)nc21 ZINC000162540619 565320112 /nfs/dbraw/zinc/32/01/12/565320112.db2.gz VDUNKWBQUAMBBZ-UHFFFAOYSA-N -1 3 388.221 3.293 20 0 GGADHM CC(C)(CO)ON=C([O-])Nc1cc(Br)ccc1Br ZINC000296490570 565320829 /nfs/dbraw/zinc/32/08/29/565320829.db2.gz XOKIGBFNCJKINI-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM CC(C)(CO)O[N-]C(=O)Nc1cc(Br)ccc1Br ZINC000296490570 565320835 /nfs/dbraw/zinc/32/08/35/565320835.db2.gz XOKIGBFNCJKINI-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1=O ZINC000187297529 565322054 /nfs/dbraw/zinc/32/20/54/565322054.db2.gz DNCOPPPYTKQHNT-UHFFFAOYSA-N -1 3 380.775 3.341 20 0 GGADHM O=C([N-]OCCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000162615515 565322375 /nfs/dbraw/zinc/32/23/75/565322375.db2.gz FTHZJIOTPAFRFS-LBPRGKRZSA-N -1 3 378.778 3.192 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Br)ccc1Cl ZINC000162640518 565323312 /nfs/dbraw/zinc/32/33/12/565323312.db2.gz CAFYDBQXBBINPK-WCQYABFASA-N -1 3 394.718 3.338 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)c(Br)cc2C)c(=O)[n-]1 ZINC000187348170 565325455 /nfs/dbraw/zinc/32/54/55/565325455.db2.gz QCUASHBSPXQOLT-UHFFFAOYSA-N -1 3 382.233 3.168 20 0 GGADHM COCCn1nc(C)c(NCc2ccc(OC)c([O-])c2Br)c1C ZINC000273597258 565327228 /nfs/dbraw/zinc/32/72/28/565327228.db2.gz DZLZTVHJPNEWOA-UHFFFAOYSA-N -1 3 384.274 3.235 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)cc(Br)c2)s1 ZINC000187374100 565327713 /nfs/dbraw/zinc/32/77/13/565327713.db2.gz IFVFJJGLHZXVJR-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2nnc(C)s2)s1 ZINC000273657511 565328438 /nfs/dbraw/zinc/32/84/38/565328438.db2.gz XJMRVTKXLTWOAN-LURJTMIESA-N -1 3 382.330 3.018 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Br)cc1Cl ZINC000162801701 565328562 /nfs/dbraw/zinc/32/85/62/565328562.db2.gz GTKKBTZOJAVFNV-DGCLKSJQSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)sc1Br ZINC000162818206 565328589 /nfs/dbraw/zinc/32/85/89/565328589.db2.gz OAGFRCIEVLQZBC-MNOVXSKESA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)sc1Br ZINC000162818447 565328697 /nfs/dbraw/zinc/32/86/97/565328697.db2.gz OAGFRCIEVLQZBC-GHMZBOCLSA-N -1 3 380.329 3.055 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(Cl)c1Cl ZINC000162814545 565328934 /nfs/dbraw/zinc/32/89/34/565328934.db2.gz ZEEQUNHITRXJIL-PWSUYJOCSA-N -1 3 380.293 3.238 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)sc1Br ZINC000162818561 565328984 /nfs/dbraw/zinc/32/89/84/565328984.db2.gz OAGFRCIEVLQZBC-WDEREUQCSA-N -1 3 380.329 3.055 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Br)cc1Cl ZINC000162801781 565329323 /nfs/dbraw/zinc/32/93/23/565329323.db2.gz GTKKBTZOJAVFNV-WCQYABFASA-N -1 3 394.718 3.338 20 0 GGADHM COCCCOC1CCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000273724526 565333125 /nfs/dbraw/zinc/33/31/25/565333125.db2.gz IVDWEWLDVVBIFQ-UHFFFAOYSA-N -1 3 388.302 3.181 20 0 GGADHM CC[C@@H]1[C@H](C)CCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000187469770 565334637 /nfs/dbraw/zinc/33/46/37/565334637.db2.gz DFEXAOIWDQFGKS-BXUZGUMPSA-N -1 3 393.336 3.309 20 0 GGADHM COc1ccc(CN2CCC[C@H](CNC(=O)C(C)C)C2)c(Br)c1[O-] ZINC000273777837 565335164 /nfs/dbraw/zinc/33/51/64/565335164.db2.gz SDVHGSWFQZUEOI-CYBMUJFWSA-N -1 3 399.329 3.148 20 0 GGADHM COc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)c(Br)c1[O-] ZINC000273792744 565336551 /nfs/dbraw/zinc/33/65/51/565336551.db2.gz VRGLFMCYWYWTIT-LBPRGKRZSA-N -1 3 382.258 3.234 20 0 GGADHM COc1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)c(Br)c1[O-] ZINC000273797342 565337020 /nfs/dbraw/zinc/33/70/20/565337020.db2.gz WKEZNEASMHOWNW-ZDUSSCGKSA-N -1 3 386.286 3.138 20 0 GGADHM CCc1nn(C)c(OC)c1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187518505 565338506 /nfs/dbraw/zinc/33/85/06/565338506.db2.gz BSFXLDOVHAYLTG-UHFFFAOYSA-N -1 3 379.873 3.026 20 0 GGADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000187536285 565339708 /nfs/dbraw/zinc/33/97/08/565339708.db2.gz HSAKDJINJNEDOL-UHFFFAOYSA-N -1 3 396.749 3.398 20 0 GGADHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187550291 565340671 /nfs/dbraw/zinc/34/06/71/565340671.db2.gz OLJMXPLOAJLVHC-CYBMUJFWSA-N -1 3 385.913 3.224 20 0 GGADHM Cc1cc(C)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000187591288 565344080 /nfs/dbraw/zinc/34/40/80/565344080.db2.gz ASQBXXOMMHZJML-UHFFFAOYSA-N -1 3 378.270 3.337 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1ncc(Cl)cc1Cl ZINC000163537814 565347533 /nfs/dbraw/zinc/34/75/33/565347533.db2.gz WTHMFAPCYVEPRY-UHFFFAOYSA-N -1 3 375.639 3.485 20 0 GGADHM COC1(c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CCCC1 ZINC000273956056 565348444 /nfs/dbraw/zinc/34/84/44/565348444.db2.gz PCFPDFDNGGRDTJ-LLVKDONJSA-N -1 3 385.873 3.178 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc2[n-]nnc21 ZINC000163637520 565349985 /nfs/dbraw/zinc/34/99/85/565349985.db2.gz HQJVWBFTBTVDDK-UHFFFAOYSA-N -1 3 389.253 3.262 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc2nn[n-]c21 ZINC000163637520 565349991 /nfs/dbraw/zinc/34/99/91/565349991.db2.gz HQJVWBFTBTVDDK-UHFFFAOYSA-N -1 3 389.253 3.262 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc2n[n-]nc21 ZINC000163637520 565349996 /nfs/dbraw/zinc/34/99/96/565349996.db2.gz HQJVWBFTBTVDDK-UHFFFAOYSA-N -1 3 389.253 3.262 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1C1CC1 ZINC000187751597 565352369 /nfs/dbraw/zinc/35/23/69/565352369.db2.gz QZKDTXQFYKZPAA-UHFFFAOYSA-N -1 3 394.806 3.072 20 0 GGADHM CN(CCNC(=O)NCc1ccc([O-])c(Br)c1)Cc1ccccc1 ZINC000163995750 565353930 /nfs/dbraw/zinc/35/39/30/565353930.db2.gz JDOLZKPFAPFAAO-UHFFFAOYSA-N -1 3 392.297 3.086 20 0 GGADHM Cc1cc(OCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(C)c1Cl ZINC000163964452 565353987 /nfs/dbraw/zinc/35/39/87/565353987.db2.gz LFKAAGCHHPZQPP-UHFFFAOYSA-N -1 3 382.869 3.346 20 0 GGADHM CCS[C@H]1CCC[C@H](NC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000164014139 565355056 /nfs/dbraw/zinc/35/50/56/565355056.db2.gz HRPGDSISVKLJOY-RYUDHWBXSA-N -1 3 380.539 3.190 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@@H](C)c2nnc(C)s2)cc(Br)c1[O-] ZINC000274124108 565357509 /nfs/dbraw/zinc/35/75/09/565357509.db2.gz BJMWIMSTBZAJEW-ZJELKQJVSA-N -1 3 398.282 3.214 20 0 GGADHM CC(=O)Nc1cccc(OCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000187837173 565358378 /nfs/dbraw/zinc/35/83/78/565358378.db2.gz CQNYCZXGXHYGJV-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000164615149 565361883 /nfs/dbraw/zinc/36/18/83/565361883.db2.gz ZDBSVBOVRGKGRH-UHFFFAOYSA-N -1 3 389.264 3.120 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000164799786 565362908 /nfs/dbraw/zinc/36/29/08/565362908.db2.gz QLRUNFVHRZYKNJ-UHFFFAOYSA-N -1 3 380.626 3.020 20 0 GGADHM CC(C)O[N-]C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000297259853 565364041 /nfs/dbraw/zinc/36/40/41/565364041.db2.gz RBPKXWJANDOCFA-UHFFFAOYSA-N -1 3 381.523 3.355 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)c1Cl ZINC000274250409 565364377 /nfs/dbraw/zinc/36/43/77/565364377.db2.gz HAKYMDZYQWHSOY-UHFFFAOYSA-N -1 3 392.333 3.125 20 0 GGADHM CCOc1cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc(Cl)c1[O-] ZINC000297334834 565368534 /nfs/dbraw/zinc/36/85/34/565368534.db2.gz DCVRBQOKSPYXLQ-INIZCTEOSA-N -1 3 383.897 3.320 20 0 GGADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)c(Br)c2)[n-]c1=O ZINC000188020811 565371783 /nfs/dbraw/zinc/37/17/83/565371783.db2.gz YCCFGCPVXSFDSO-RMKNXTFCSA-N -1 3 381.201 3.409 20 0 GGADHM CC(C)[C@]1(CO)CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000297518343 565375528 /nfs/dbraw/zinc/37/55/28/565375528.db2.gz ZKNHZBHPERQZSK-QGZVFWFLSA-N -1 3 385.302 3.095 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(Br)s1 ZINC000167263921 565378025 /nfs/dbraw/zinc/37/80/25/565378025.db2.gz OGSLQGRJDDRXMJ-BIMULSAOSA-N -1 3 392.340 3.137 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)sc1Cl ZINC000188098845 565378736 /nfs/dbraw/zinc/37/87/36/565378736.db2.gz JKDSKWOYODTTDG-SNVBAGLBSA-N -1 3 392.333 3.316 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCCCOC(C)C ZINC000274754916 565379056 /nfs/dbraw/zinc/37/90/56/565379056.db2.gz MGXZKJYTMHBDEO-UHFFFAOYSA-N -1 3 393.933 3.239 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)o2)sc1Cl ZINC000188098326 565379203 /nfs/dbraw/zinc/37/92/03/565379203.db2.gz KCODMYIQVRSTMB-UHFFFAOYSA-N -1 3 383.882 3.281 20 0 GGADHM O=S(=O)([N-]c1ccncc1F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000188102358 565379287 /nfs/dbraw/zinc/37/92/87/565379287.db2.gz INJFXQNRZYLWHT-LLVKDONJSA-N -1 3 386.832 3.090 20 0 GGADHM CC(C)ON=C([O-])Nc1nc2ccc(I)cc2s1 ZINC000297645558 565380916 /nfs/dbraw/zinc/38/09/16/565380916.db2.gz CUVXSQXGPCVSBO-UHFFFAOYSA-N -1 3 377.207 3.362 20 0 GGADHM CC(C)O[N-]C(=O)Nc1nc2ccc(I)cc2s1 ZINC000297645558 565380920 /nfs/dbraw/zinc/38/09/20/565380920.db2.gz CUVXSQXGPCVSBO-UHFFFAOYSA-N -1 3 377.207 3.362 20 0 GGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2scnc2C(F)(F)F)n1 ZINC000297715795 565383032 /nfs/dbraw/zinc/38/30/32/565383032.db2.gz GQIDLCIACSDVGT-UHFFFAOYSA-N -1 3 379.385 3.321 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(F)cc3Br)[n-]2)o1 ZINC000188220583 565388485 /nfs/dbraw/zinc/38/84/85/565388485.db2.gz RVXTXHLNEAVDPO-UHFFFAOYSA-N -1 3 379.189 3.456 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(F)cc3Br)n2)o1 ZINC000188220583 565388490 /nfs/dbraw/zinc/38/84/90/565388490.db2.gz RVXTXHLNEAVDPO-UHFFFAOYSA-N -1 3 379.189 3.456 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(F)cc3Br)n[n-]2)o1 ZINC000188220583 565388496 /nfs/dbraw/zinc/38/84/96/565388496.db2.gz RVXTXHLNEAVDPO-UHFFFAOYSA-N -1 3 379.189 3.456 20 0 GGADHM O=C([N-]c1nc2cc(Br)ccn2n1)c1noc2c1CCCCC2 ZINC000297844015 565388808 /nfs/dbraw/zinc/38/88/08/565388808.db2.gz WWGOSIIDMXDFKC-UHFFFAOYSA-N -1 3 376.214 3.001 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)sc1Cl ZINC000188234437 565389966 /nfs/dbraw/zinc/38/99/66/565389966.db2.gz XCRAURGDHKFPTA-JOYOIKCWSA-N -1 3 391.864 3.472 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1C ZINC000188255609 565390535 /nfs/dbraw/zinc/39/05/35/565390535.db2.gz BILDIDAMLQHPIE-UHFFFAOYSA-N -1 3 393.408 3.340 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1Br ZINC000188246259 565391007 /nfs/dbraw/zinc/39/10/07/565391007.db2.gz WRJMAECPJDLNPZ-UHFFFAOYSA-N -1 3 387.230 3.347 20 0 GGADHM CS(=O)(=O)c1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc1 ZINC000188244123 565391219 /nfs/dbraw/zinc/39/12/19/565391219.db2.gz QZLBSOBEZLAQPD-UHFFFAOYSA-N -1 3 395.893 3.125 20 0 GGADHM CN(CCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)CC(F)(F)F ZINC000188259784 565391587 /nfs/dbraw/zinc/39/15/87/565391587.db2.gz YLYDYBGBGNCKFZ-UHFFFAOYSA-N -1 3 380.823 3.406 20 0 GGADHM CCOc1cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000297968075 565393931 /nfs/dbraw/zinc/39/39/31/565393931.db2.gz XAYPOHSXSBWPOJ-ZBFHGGJFSA-N -1 3 375.918 3.232 20 0 GGADHM O=C(NCCc1cn2c(n1)SCC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000275125705 565393980 /nfs/dbraw/zinc/39/39/80/565393980.db2.gz MKAMSPFCNAZVIM-UHFFFAOYSA-N -1 3 379.898 3.066 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2Cl)c(C)o1 ZINC000188322279 565394168 /nfs/dbraw/zinc/39/41/68/565394168.db2.gz RGBFDERRURNBAN-UHFFFAOYSA-N -1 3 386.857 3.189 20 0 GGADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000275190183 565396496 /nfs/dbraw/zinc/39/64/96/565396496.db2.gz WRJMNIZYJZOGLM-GHMZBOCLSA-N -1 3 380.901 3.168 20 0 GGADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000275190207 565396687 /nfs/dbraw/zinc/39/66/87/565396687.db2.gz WRJMNIZYJZOGLM-WDEREUQCSA-N -1 3 380.901 3.168 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1F ZINC000170873958 565396820 /nfs/dbraw/zinc/39/68/20/565396820.db2.gz GOHQNKIBRBPZAG-UHFFFAOYSA-N -1 3 377.359 3.374 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000170904520 565398486 /nfs/dbraw/zinc/39/84/86/565398486.db2.gz MCIHKMCIJQRERO-UHFFFAOYSA-N -1 3 399.244 3.138 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2sccc2OC(F)F)ccc1F ZINC000170922113 565399052 /nfs/dbraw/zinc/39/90/52/565399052.db2.gz IMPVKFUJIDXDPE-UHFFFAOYSA-N -1 3 380.369 3.112 20 0 GGADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000275329158 565403723 /nfs/dbraw/zinc/40/37/23/565403723.db2.gz QFXGNHNHCPXXGW-KBPBESRZSA-N -1 3 390.292 3.018 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)ccc1F ZINC000298257239 565406649 /nfs/dbraw/zinc/40/66/49/565406649.db2.gz LTHWGLILEPKMMR-LLVKDONJSA-N -1 3 378.416 3.143 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)c(Cl)n2)s1 ZINC000298274127 565407400 /nfs/dbraw/zinc/40/74/00/565407400.db2.gz MMFOXPRUNIMVLH-UHFFFAOYSA-N -1 3 385.820 3.336 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000188552966 565407733 /nfs/dbraw/zinc/40/77/33/565407733.db2.gz HXKFQRRENKARJF-KWQFWETISA-N -1 3 377.837 3.163 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000188544993 565407790 /nfs/dbraw/zinc/40/77/90/565407790.db2.gz LVDPJVAUAXONLF-RNCFNFMXSA-N -1 3 389.798 3.241 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F ZINC000188560784 565409054 /nfs/dbraw/zinc/40/90/54/565409054.db2.gz USIUYMNJQPQQQH-TVQRCGJNSA-N -1 3 389.798 3.241 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(F)cc1F ZINC000188557510 565409600 /nfs/dbraw/zinc/40/96/00/565409600.db2.gz GDHOXOGCFRBUFN-HZMBPMFUSA-N -1 3 387.370 3.035 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000188557656 565409635 /nfs/dbraw/zinc/40/96/35/565409635.db2.gz QXSLEPKEGFADHK-YGRLFVJLSA-N -1 3 387.370 3.035 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)Cc2cccc(Br)c2)c(=O)[n-]1 ZINC000298347373 565409707 /nfs/dbraw/zinc/40/97/07/565409707.db2.gz GHDIYRIGAZPTCB-UHFFFAOYSA-N -1 3 378.270 3.153 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1Br ZINC000188593616 565411822 /nfs/dbraw/zinc/41/18/22/565411822.db2.gz KSWLWCWSOKEKTM-UHFFFAOYSA-N -1 3 398.278 3.336 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1cccc(OC(F)F)c1 ZINC000298500558 565417262 /nfs/dbraw/zinc/41/72/62/565417262.db2.gz QRTVCWZKUYARES-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000275601259 565420197 /nfs/dbraw/zinc/42/01/97/565420197.db2.gz KUMCTJNQZSDADJ-UHFFFAOYSA-N -1 3 384.335 3.186 20 0 GGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000275615435 565420894 /nfs/dbraw/zinc/42/08/94/565420894.db2.gz UIYNLWVEELMZLT-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000275633566 565421641 /nfs/dbraw/zinc/42/16/41/565421641.db2.gz ANPDGPADTJKYLD-UHFFFAOYSA-N -1 3 383.311 3.354 20 0 GGADHM O=S(=O)([N-]CCCOc1ncc(C(F)(F)F)cc1Cl)c1ccco1 ZINC000188789914 565424554 /nfs/dbraw/zinc/42/45/54/565424554.db2.gz BIXDQZDGXCSHPV-UHFFFAOYSA-N -1 3 384.763 3.094 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cs1 ZINC000275757022 565425961 /nfs/dbraw/zinc/42/59/61/565425961.db2.gz JXMGNDCYXVOJJM-MRVPVSSYSA-N -1 3 398.403 3.487 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2Br)c1 ZINC000171340709 565426960 /nfs/dbraw/zinc/42/69/60/565426960.db2.gz VPOBIMZTFSIZAF-UHFFFAOYSA-N -1 3 386.267 3.405 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000188857129 565427638 /nfs/dbraw/zinc/42/76/38/565427638.db2.gz ZQAFVCCDDXZYCG-UHFFFAOYSA-N -1 3 376.247 3.227 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000188857129 565427643 /nfs/dbraw/zinc/42/76/43/565427643.db2.gz ZQAFVCCDDXZYCG-UHFFFAOYSA-N -1 3 376.247 3.227 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000188857129 565427647 /nfs/dbraw/zinc/42/76/47/565427647.db2.gz ZQAFVCCDDXZYCG-UHFFFAOYSA-N -1 3 376.247 3.227 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000188902576 565430948 /nfs/dbraw/zinc/43/09/48/565430948.db2.gz NUCYWPQTIOBQER-UHFFFAOYSA-N -1 3 377.796 3.444 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1OCCC1CC1 ZINC000188901892 565431287 /nfs/dbraw/zinc/43/12/87/565431287.db2.gz VMHUTCMTVCTPMD-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM Cc1nc(CCC(=O)[N-]OCC(C)(C)O)oc1-c1ccc(Br)cc1 ZINC000298911259 565434622 /nfs/dbraw/zinc/43/46/22/565434622.db2.gz LVSWSTABKAJEKL-UHFFFAOYSA-N -1 3 397.269 3.164 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000171509235 565434847 /nfs/dbraw/zinc/43/48/47/565434847.db2.gz MXQHMPJIFGLFTF-UHFFFAOYSA-N -1 3 379.787 3.330 20 0 GGADHM Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)ccc1=O ZINC000188965477 565435492 /nfs/dbraw/zinc/43/54/92/565435492.db2.gz VPYLZQDNEMZLJD-UHFFFAOYSA-N -1 3 382.869 3.018 20 0 GGADHM O=C(c1csc(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000188955849 565435763 /nfs/dbraw/zinc/43/57/63/565435763.db2.gz PWXIXEKIOBJAAX-UHFFFAOYSA-N -1 3 390.939 3.046 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)s1 ZINC000299016502 565436340 /nfs/dbraw/zinc/43/63/40/565436340.db2.gz HHFNPTJTBIMCHR-GOSISDBHSA-N -1 3 380.535 3.102 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000188970991 565436554 /nfs/dbraw/zinc/43/65/54/565436554.db2.gz KHGGHQTWNLHDLS-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)s1 ZINC000299016507 565436639 /nfs/dbraw/zinc/43/66/39/565436639.db2.gz HHFNPTJTBIMCHR-SFHVURJKSA-N -1 3 380.535 3.102 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000276101428 565436751 /nfs/dbraw/zinc/43/67/51/565436751.db2.gz VVONGCRJROEFSI-UHFFFAOYSA-N -1 3 385.429 3.243 20 0 GGADHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000189022350 565437342 /nfs/dbraw/zinc/43/73/42/565437342.db2.gz TUPMJRAFCARCOR-UHFFFAOYSA-N -1 3 388.599 3.413 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000189026554 565438983 /nfs/dbraw/zinc/43/89/83/565438983.db2.gz LMFPAHHEDPRRTJ-UHFFFAOYSA-N -1 3 379.331 3.069 20 0 GGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cc(F)cc(F)c1Br ZINC000189046982 565439791 /nfs/dbraw/zinc/43/97/91/565439791.db2.gz BKRJLAANGXNYRD-UHFFFAOYSA-N -1 3 398.163 3.128 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(C)cs1 ZINC000171637844 565440788 /nfs/dbraw/zinc/44/07/88/565440788.db2.gz XYXXOPGDAZLZOU-AWEZNQCLSA-N -1 3 379.507 3.156 20 0 GGADHM CC(=O)Nc1nc(C(=O)[N-]c2cc(F)cc(F)c2Br)cs1 ZINC000189057525 565441032 /nfs/dbraw/zinc/44/10/32/565441032.db2.gz HIOURRGVABAQHI-UHFFFAOYSA-N -1 3 376.182 3.395 20 0 GGADHM CCOC(CC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)OCC ZINC000276308598 565443810 /nfs/dbraw/zinc/44/38/10/565443810.db2.gz FADKBWHORNRWRV-UHFFFAOYSA-N -1 3 386.297 3.070 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)CN3CCCCC3)s2)cs1 ZINC000189125925 565444921 /nfs/dbraw/zinc/44/49/21/565444921.db2.gz QYHFMQRYVOBCKN-LBPRGKRZSA-N -1 3 385.580 3.333 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000276358655 565446197 /nfs/dbraw/zinc/44/61/97/565446197.db2.gz MKZDLRVXSPALER-UHFFFAOYSA-N -1 3 381.885 3.326 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000276401293 565448264 /nfs/dbraw/zinc/44/82/64/565448264.db2.gz KPXKLTDXKMKAMA-MRVPVSSYSA-N -1 3 399.163 3.437 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000276401293 565448268 /nfs/dbraw/zinc/44/82/68/565448268.db2.gz KPXKLTDXKMKAMA-MRVPVSSYSA-N -1 3 399.163 3.437 20 0 GGADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000276416728 565448393 /nfs/dbraw/zinc/44/83/93/565448393.db2.gz YVYMDHJKXAIOJB-LBPRGKRZSA-N -1 3 382.379 3.000 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000276407623 565448749 /nfs/dbraw/zinc/44/87/49/565448749.db2.gz AXFZICVYYKUYKZ-UHFFFAOYSA-N -1 3 382.345 3.303 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(Cl)cc1I ZINC000276453734 565449424 /nfs/dbraw/zinc/44/94/24/565449424.db2.gz WFRCNDPWDUFYRG-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(Cl)cc1I ZINC000276453734 565449428 /nfs/dbraw/zinc/44/94/28/565449428.db2.gz WFRCNDPWDUFYRG-MRVPVSSYSA-N -1 3 396.612 3.034 20 0 GGADHM CCOc1cnc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)cn1 ZINC000189167580 565449452 /nfs/dbraw/zinc/44/94/52/565449452.db2.gz DNRYCFPBFRIIDF-UHFFFAOYSA-N -1 3 379.804 3.439 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c(Br)c1 ZINC000276545199 565452812 /nfs/dbraw/zinc/45/28/12/565452812.db2.gz JOJRYLGVLUHHNL-UHFFFAOYSA-N -1 3 380.214 3.020 20 0 GGADHM CC[C@@H](C)CN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000171866765 565455029 /nfs/dbraw/zinc/45/50/29/565455029.db2.gz KFRWVNABSLNDMC-LLVKDONJSA-N -1 3 381.325 3.166 20 0 GGADHM CC[C@H](C)CN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000171866768 565455269 /nfs/dbraw/zinc/45/52/69/565455269.db2.gz KFRWVNABSLNDMC-NSHDSACASA-N -1 3 381.325 3.166 20 0 GGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000189316325 565458695 /nfs/dbraw/zinc/45/86/95/565458695.db2.gz IEVQPYRBJYFQTL-UHFFFAOYSA-N -1 3 392.221 3.329 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ccc(Br)cn2)CC1 ZINC000171959224 565458917 /nfs/dbraw/zinc/45/89/17/565458917.db2.gz IXTUBGHQBMSWNS-UHFFFAOYSA-N -1 3 390.281 3.400 20 0 GGADHM CC[C@@H](C)[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171969765 565460041 /nfs/dbraw/zinc/46/00/41/565460041.db2.gz YEKGKZUMSIVKEJ-NEPJUHHUSA-N -1 3 386.564 3.453 20 0 GGADHM O=C(NC(C1CC1)C1CC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171961250 565460199 /nfs/dbraw/zinc/46/01/99/565460199.db2.gz KGEDUMPFIOCRON-UHFFFAOYSA-N -1 3 396.559 3.207 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)s1 ZINC000189357179 565460668 /nfs/dbraw/zinc/46/06/68/565460668.db2.gz JABADRIZXBRQNX-UHFFFAOYSA-N -1 3 391.312 3.297 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)n[nH]1 ZINC000276799616 565461110 /nfs/dbraw/zinc/46/11/10/565461110.db2.gz GFUAMNZCEPLXMH-HTQZYQBOSA-N -1 3 393.332 3.182 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2sccc2Br)n[nH]1 ZINC000276799628 565461123 /nfs/dbraw/zinc/46/11/23/565461123.db2.gz GFUAMNZCEPLXMH-YUMQZZPRSA-N -1 3 393.332 3.182 20 0 GGADHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)[nH]1 ZINC000276796826 565461137 /nfs/dbraw/zinc/46/11/37/565461137.db2.gz CCMYJCJJDWIVLY-VHSXEESVSA-N -1 3 396.289 3.347 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)n[nH]1 ZINC000276796826 565461141 /nfs/dbraw/zinc/46/11/41/565461141.db2.gz CCMYJCJJDWIVLY-VHSXEESVSA-N -1 3 396.289 3.347 20 0 GGADHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)[nH]1 ZINC000276796830 565461184 /nfs/dbraw/zinc/46/11/84/565461184.db2.gz CCMYJCJJDWIVLY-ZJUUUORDSA-N -1 3 396.289 3.347 20 0 GGADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)n[nH]1 ZINC000276796830 565461189 /nfs/dbraw/zinc/46/11/89/565461189.db2.gz CCMYJCJJDWIVLY-ZJUUUORDSA-N -1 3 396.289 3.347 20 0 GGADHM C[C@@H]1c2cccn2CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172000973 565461890 /nfs/dbraw/zinc/46/18/90/565461890.db2.gz JCVDEHKCOWTGOZ-LLVKDONJSA-N -1 3 386.249 3.309 20 0 GGADHM C[C@H]1c2cccn2CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172000974 565461963 /nfs/dbraw/zinc/46/19/63/565461963.db2.gz JCVDEHKCOWTGOZ-NSHDSACASA-N -1 3 386.249 3.309 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000172094523 565465985 /nfs/dbraw/zinc/46/59/85/565465985.db2.gz CEIFQJWDCUASAU-AWEZNQCLSA-N -1 3 384.567 3.234 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)s1 ZINC000276923216 565466882 /nfs/dbraw/zinc/46/68/82/565466882.db2.gz LGNZWUGLQRKTHS-UHFFFAOYSA-N -1 3 378.519 3.130 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)n[nH]1 ZINC000276934920 565467621 /nfs/dbraw/zinc/46/76/21/565467621.db2.gz MTVRADJRCVXMJL-VHSXEESVSA-N -1 3 384.889 3.214 20 0 GGADHM O=S(=O)(Cc1cccc(F)c1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000377173514 565468534 /nfs/dbraw/zinc/46/85/34/565468534.db2.gz MJMVYBAJRGYZCN-UHFFFAOYSA-N -1 3 381.816 3.149 20 0 GGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)N1CCCC[C@@H]1C ZINC000189506216 565470762 /nfs/dbraw/zinc/47/07/62/565470762.db2.gz XQCCOOPRDSOTEO-QWRGUYRKSA-N -1 3 380.901 3.311 20 0 GGADHM CC[C@H](C)[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000172271896 565475449 /nfs/dbraw/zinc/47/54/49/565475449.db2.gz QTRIMEQBTBVOLQ-SUMWQHHRSA-N -1 3 380.535 3.102 20 0 GGADHM CCOCCOc1ccc(Br)cc1CNCCC[C@@H](C)C(=O)[O-] ZINC000277117720 565476708 /nfs/dbraw/zinc/47/67/08/565476708.db2.gz AUMLXIICYAKRIV-CYBMUJFWSA-N -1 3 388.302 3.455 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)[n-]1 ZINC000377372718 565477189 /nfs/dbraw/zinc/47/71/89/565477189.db2.gz OODYXOKNGJQLTA-NSHDSACASA-N -1 3 377.491 3.206 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1Br ZINC000277122785 565477639 /nfs/dbraw/zinc/47/76/39/565477639.db2.gz XIXLOEHOEHDVLA-JTQLQIEISA-N -1 3 390.690 3.182 20 0 GGADHM CS(=O)(=O)Cc1noc([N-]C(=O)c2cc3sc4ccccc4c3s2)n1 ZINC000172317169 565477689 /nfs/dbraw/zinc/47/76/89/565477689.db2.gz BQSXTVSMHYCUGK-UHFFFAOYSA-N -1 3 393.471 3.296 20 0 GGADHM CCOCCOc1ccc(Br)cc1CNCC[C@H](C)CC(=O)[O-] ZINC000277120783 565478473 /nfs/dbraw/zinc/47/84/73/565478473.db2.gz AXOJNUKQSFRYJA-ZDUSSCGKSA-N -1 3 388.302 3.455 20 0 GGADHM O=[S@](Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1)C1CCCCC1 ZINC000172370045 565481884 /nfs/dbraw/zinc/48/18/84/565481884.db2.gz AGEMWTZWIHWVDS-BXKMTCNYSA-N -1 3 385.551 3.189 20 0 GGADHM O=C(N[C@H]1CC=CCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000172392666 565483465 /nfs/dbraw/zinc/48/34/65/565483465.db2.gz SQSDPHOMAIAVAD-JTQLQIEISA-N -1 3 389.304 3.273 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(Cl)cc1Br ZINC000277257988 565484481 /nfs/dbraw/zinc/48/44/81/565484481.db2.gz KKZKOEYAPPBMJR-CQSZACIVSA-N -1 3 375.694 3.131 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c(Cl)n1 ZINC000189723556 565484581 /nfs/dbraw/zinc/48/45/81/565484581.db2.gz NBWIYHHCGAWHNZ-UHFFFAOYSA-N -1 3 380.882 3.040 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cc(Br)c(Cl)s1)C(=O)[O-] ZINC000277259895 565485969 /nfs/dbraw/zinc/48/59/69/565485969.db2.gz KPNWWZWTLIEFEZ-SECBINFHSA-N -1 3 398.706 3.439 20 0 GGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)s1 ZINC000189789187 565488939 /nfs/dbraw/zinc/48/89/39/565488939.db2.gz CQLOPLIFGIQOGT-UHFFFAOYSA-N -1 3 378.866 3.195 20 0 GGADHM O=C(NCCc1ccc(F)c(Br)c1)NCc1ccc([O-])c(F)c1 ZINC000172558220 565491619 /nfs/dbraw/zinc/49/16/19/565491619.db2.gz IGVROYDPLSWBSJ-UHFFFAOYSA-N -1 3 385.208 3.475 20 0 GGADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1ccc(Br)s1 ZINC000277409931 565494655 /nfs/dbraw/zinc/49/46/55/565494655.db2.gz SKGMEZAKFYSDHG-ZDUSSCGKSA-N -1 3 398.278 3.187 20 0 GGADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)s1 ZINC000377740882 565495863 /nfs/dbraw/zinc/49/58/63/565495863.db2.gz VTECFBJSPAUUCN-UHFFFAOYSA-N -1 3 378.881 3.450 20 0 GGADHM COc1ccc(CNCCOCC(F)(F)C(F)F)c(Br)c1[O-] ZINC000277466201 565499012 /nfs/dbraw/zinc/49/90/12/565499012.db2.gz JHAWCFNKRCXMNF-UHFFFAOYSA-N -1 3 390.171 3.170 20 0 GGADHM C[C@H]1CCSCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000190058418 565505456 /nfs/dbraw/zinc/50/54/56/565505456.db2.gz QSHKEXDRBHFTHD-JTQLQIEISA-N -1 3 381.295 3.258 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](c1ncccc1C)C(C)C ZINC000190092253 565507535 /nfs/dbraw/zinc/50/75/35/565507535.db2.gz OPDKFAHJXVHMIW-CYBMUJFWSA-N -1 3 382.507 3.222 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000190104432 565507734 /nfs/dbraw/zinc/50/77/34/565507734.db2.gz NLSYDFSYPWFLMM-HNNXBMFYSA-N -1 3 379.503 3.143 20 0 GGADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000172887669 565510442 /nfs/dbraw/zinc/51/04/42/565510442.db2.gz NDHYQGHLJMXUCI-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM C[S@@](=O)c1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc1 ZINC000190151083 565511556 /nfs/dbraw/zinc/51/15/56/565511556.db2.gz KJLJGDBXVXQBQF-XMMPIXPASA-N -1 3 379.894 3.459 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000190236933 565517619 /nfs/dbraw/zinc/51/76/19/565517619.db2.gz LMGJYWKNRZEAIT-UHFFFAOYSA-N -1 3 389.445 3.335 20 0 GGADHM C[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1C ZINC000173001248 565518325 /nfs/dbraw/zinc/51/83/25/565518325.db2.gz PNLIQSHVUSUDJR-VXGBXAGGSA-N -1 3 393.336 3.309 20 0 GGADHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)OC ZINC000381173244 565541432 /nfs/dbraw/zinc/54/14/32/565541432.db2.gz COXHWVRSSBNPBI-BXKDBHETSA-N -1 3 384.723 3.442 20 0 GGADHM O=S(=O)([N-]CCNc1cc(Cl)nc(C2CC2)n1)c1ccc(Cl)s1 ZINC000301972648 565521951 /nfs/dbraw/zinc/52/19/51/565521951.db2.gz UEOJTBZMFREMIS-UHFFFAOYSA-N -1 3 393.321 3.113 20 0 GGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc(OCC(F)(F)F)cn1 ZINC000277956856 565531636 /nfs/dbraw/zinc/53/16/36/565531636.db2.gz YBLBFNBYJDGHBG-UHFFFAOYSA-N -1 3 386.277 3.231 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000190437362 565532052 /nfs/dbraw/zinc/53/20/52/565532052.db2.gz WPLCZXMGSRQXBV-UHFFFAOYSA-N -1 3 387.860 3.025 20 0 GGADHM COc1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([O-])c1 ZINC000190440833 565532193 /nfs/dbraw/zinc/53/21/93/565532193.db2.gz ALXARUJDTLVBDR-SJORKVTESA-N -1 3 382.243 3.438 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1c(C)oc2ccccc21 ZINC000190480716 565535551 /nfs/dbraw/zinc/53/55/51/565535551.db2.gz HLWQEQXRDCEHEM-UHFFFAOYSA-N -1 3 379.459 3.376 20 0 GGADHM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000173203995 565536135 /nfs/dbraw/zinc/53/61/35/565536135.db2.gz SDCPHZXNQCKSNO-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000173203995 565536142 /nfs/dbraw/zinc/53/61/42/565536142.db2.gz SDCPHZXNQCKSNO-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000173203995 565536145 /nfs/dbraw/zinc/53/61/45/565536145.db2.gz SDCPHZXNQCKSNO-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(F)c(Br)c1)c1nccs1 ZINC000173202552 565536347 /nfs/dbraw/zinc/53/63/47/565536347.db2.gz ZVUMCHBLHDUHLV-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1ccncc1 ZINC000173221697 565538562 /nfs/dbraw/zinc/53/85/62/565538562.db2.gz JTLMKCPLNGVKFN-CQSZACIVSA-N -1 3 385.848 3.262 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCCO1 ZINC000379209064 565538543 /nfs/dbraw/zinc/53/85/43/565538543.db2.gz CTYJTJAGEZIHJI-NOZJJQNGSA-N -1 3 382.707 3.338 20 0 GGADHM COc1c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c(C)nn1C ZINC000173225474 565538845 /nfs/dbraw/zinc/53/88/45/565538845.db2.gz VCNUMIHRWWISHC-UHFFFAOYSA-N -1 3 377.857 3.085 20 0 GGADHM CO[C@H](CNCc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000378803039 565538851 /nfs/dbraw/zinc/53/88/51/565538851.db2.gz VHUNVEZSROTVOV-GFCCVEGCSA-N -1 3 379.092 3.432 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)sc1C ZINC000173228878 565539953 /nfs/dbraw/zinc/53/99/53/565539953.db2.gz DBACWUCITRPTTL-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)OC ZINC000381315210 565541594 /nfs/dbraw/zinc/54/15/94/565541594.db2.gz UYZUWISQYLALOT-TVQRCGJNSA-N -1 3 384.723 3.442 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(F)c(Br)c1 ZINC000173276721 565543476 /nfs/dbraw/zinc/54/34/76/565543476.db2.gz UHYTVHXPFDPMGC-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CC1 ZINC000384054226 565544129 /nfs/dbraw/zinc/54/41/29/565544129.db2.gz XKIRHOYTZHQAKH-ZDUSSCGKSA-N -1 3 382.707 3.196 20 0 GGADHM O=C1[C@H]([N-]c2nnc(C(F)F)s2)CCN1c1cccc(Br)c1 ZINC000278175332 565544217 /nfs/dbraw/zinc/54/42/17/565544217.db2.gz BESYQNJVZZMJDV-SECBINFHSA-N -1 3 389.225 3.456 20 0 GGADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1ccc(Br)cc1Cl ZINC000386163578 565546845 /nfs/dbraw/zinc/54/68/45/565546845.db2.gz LLNNZDWVDYWHRU-CYBMUJFWSA-N -1 3 396.734 3.322 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Br)cc2)ccc1F ZINC000386547254 565547986 /nfs/dbraw/zinc/54/79/86/565547986.db2.gz DLZAHFMFZFQSHH-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)sc1Br ZINC000386250958 565548048 /nfs/dbraw/zinc/54/80/48/565548048.db2.gz IPXCRLCOCQGVEQ-NSHDSACASA-N -1 3 382.345 3.039 20 0 GGADHM CCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Br ZINC000278266799 565548585 /nfs/dbraw/zinc/54/85/85/565548585.db2.gz YDVOLSSQCQRWEY-VIFPVBQESA-N -1 3 381.148 3.225 20 0 GGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOc2ccc(Br)cc2)C1 ZINC000387315272 565549367 /nfs/dbraw/zinc/54/93/67/565549367.db2.gz QCOUCBGPRGVGLZ-CYBMUJFWSA-N -1 3 382.176 3.167 20 0 GGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCOc2ccc(Br)cc2)C1 ZINC000387315274 565549468 /nfs/dbraw/zinc/54/94/68/565549468.db2.gz QCOUCBGPRGVGLZ-ZDUSSCGKSA-N -1 3 382.176 3.167 20 0 GGADHM Oc1[n-]c(N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nc2nncc1-2 ZINC000302668660 565549559 /nfs/dbraw/zinc/54/95/59/565549559.db2.gz CWXOOXNWBOCCIP-JTQLQIEISA-N -1 3 379.251 3.446 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1nc(C(F)(F)F)cs1 ZINC000278292309 565549598 /nfs/dbraw/zinc/54/95/98/565549598.db2.gz BXLPECIYDQLQEL-ZETCQYMHSA-N -1 3 385.820 3.391 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1nc(C(F)(F)F)cs1 ZINC000278292304 565549754 /nfs/dbraw/zinc/54/97/54/565549754.db2.gz BXLPECIYDQLQEL-SSDOTTSWSA-N -1 3 385.820 3.391 20 0 GGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000388340446 565550422 /nfs/dbraw/zinc/55/04/22/565550422.db2.gz JNLOXOLMKMJYMB-AMIZOPFISA-N -1 3 382.707 3.194 20 0 GGADHM CCCC1CCC(N(C)C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CC1 ZINC000190678609 565551339 /nfs/dbraw/zinc/55/13/39/565551339.db2.gz NCRPMOUSZSSGGT-UHFFFAOYSA-N -1 3 387.571 3.157 20 0 GGADHM COc1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(Br)c1[O-] ZINC000278361200 565553213 /nfs/dbraw/zinc/55/32/13/565553213.db2.gz JPZBXEROGSMIRE-HZMBPMFUSA-N -1 3 398.219 3.299 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000389082342 565553361 /nfs/dbraw/zinc/55/33/61/565553361.db2.gz ZBNBHODUWXUPAB-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)c1nc(C)cs1 ZINC000173373265 565553740 /nfs/dbraw/zinc/55/37/40/565553740.db2.gz QCYLYLXCUDIPCD-MRXNPFEDSA-N -1 3 388.486 3.212 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1nc(C)cs1 ZINC000173376620 565553764 /nfs/dbraw/zinc/55/37/64/565553764.db2.gz FKHBNRFFLUKSTA-KRWDZBQOSA-N -1 3 376.507 3.241 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCCOC1 ZINC000389197978 565553739 /nfs/dbraw/zinc/55/37/39/565553739.db2.gz PEWQLYHLSHZJNR-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(C(=O)OC)c1C)c1nc(C)cs1 ZINC000173376678 565554212 /nfs/dbraw/zinc/55/42/12/565554212.db2.gz HLJZCDIZXCEOEK-KRWDZBQOSA-N -1 3 382.507 3.150 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1nc(C)cs1 ZINC000173376630 565554271 /nfs/dbraw/zinc/55/42/71/565554271.db2.gz FKHBNRFFLUKSTA-QGZVFWFLSA-N -1 3 376.507 3.241 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1ccc(Br)cc1F ZINC000390201323 565556347 /nfs/dbraw/zinc/55/63/47/565556347.db2.gz ZNFNUFGWBZAAMX-UHFFFAOYSA-N -1 3 388.258 3.083 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000278429534 565557329 /nfs/dbraw/zinc/55/73/29/565557329.db2.gz RWFWYRYELSGTPB-QMMMGPOBSA-N -1 3 391.396 3.484 20 0 GGADHM O=C(NCCCNc1ncc(Cl)cc1Br)c1cccc([O-])c1 ZINC000302804409 565558286 /nfs/dbraw/zinc/55/82/86/565558286.db2.gz DYULDBYTFRIGQV-UHFFFAOYSA-N -1 3 384.661 3.435 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)C2CC2)n1 ZINC000173465480 565559567 /nfs/dbraw/zinc/55/95/67/565559567.db2.gz POYWPLQJUIGSFL-INIZCTEOSA-N -1 3 380.491 3.042 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@H](CO)CC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190807989 565561045 /nfs/dbraw/zinc/56/10/45/565561045.db2.gz KXBRGYDMSUYKNN-AKAXFMLLSA-N -1 3 387.929 3.348 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)c(C)c1 ZINC000190832424 565561712 /nfs/dbraw/zinc/56/17/12/565561712.db2.gz FHRNEGXHQWELSK-UHFFFAOYSA-N -1 3 387.910 3.470 20 0 GGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1csc(-c2ccc(Br)cc2)n1 ZINC000173520389 565563795 /nfs/dbraw/zinc/56/37/95/565563795.db2.gz PSZYYMLANBCNKX-UHFFFAOYSA-N -1 3 398.307 3.379 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000392371985 565564059 /nfs/dbraw/zinc/56/40/59/565564059.db2.gz QHIONKKKMZJZKF-VIFPVBQESA-N -1 3 375.418 3.161 20 0 GGADHM CCC[C@H]1CCc2nc(NC(=O)C[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000302973758 565565105 /nfs/dbraw/zinc/56/51/05/565565105.db2.gz BRSMXIYTVLICTE-NSHDSACASA-N -1 3 399.563 3.027 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000392736919 565565514 /nfs/dbraw/zinc/56/55/14/565565514.db2.gz OMNMOWBSQAXJQP-ZDUSSCGKSA-N -1 3 381.416 3.350 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1ccc(F)cc1F ZINC000303018966 565566283 /nfs/dbraw/zinc/56/62/83/565566283.db2.gz TUBOECIHLMBBMB-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303140356 565566988 /nfs/dbraw/zinc/56/69/88/565566988.db2.gz DLYUNEJEGIASAE-NEPJUHHUSA-N -1 3 378.947 3.155 20 0 GGADHM COc1cc(Br)c(CNC(=O)c2cccc(C)c2[O-])cc1OC ZINC000303149141 565567373 /nfs/dbraw/zinc/56/73/73/565567373.db2.gz MHXWDKDTOYTADE-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM CCCC[C@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303140359 565567576 /nfs/dbraw/zinc/56/75/76/565567576.db2.gz DLYUNEJEGIASAE-NWDGAFQWSA-N -1 3 378.947 3.155 20 0 GGADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ns1 ZINC000278575899 565567603 /nfs/dbraw/zinc/56/76/03/565567603.db2.gz KYBDMLUZPJDJJN-UHFFFAOYSA-N -1 3 379.869 3.301 20 0 GGADHM Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000190888949 565567853 /nfs/dbraw/zinc/56/78/53/565567853.db2.gz AXCSEFORQZDORT-UHFFFAOYSA-N -1 3 393.665 3.302 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000303175878 565568112 /nfs/dbraw/zinc/56/81/12/565568112.db2.gz CCKOPSFBRILWJN-GHMZBOCLSA-N -1 3 378.947 3.105 20 0 GGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000393464874 565568356 /nfs/dbraw/zinc/56/83/56/565568356.db2.gz NQAXTQYKVHOOII-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1Cl ZINC000278597051 565568565 /nfs/dbraw/zinc/56/85/65/565568565.db2.gz FPGGJPKGTYIIMM-QHCPKHFHSA-N -1 3 387.910 3.336 20 0 GGADHM Cc1cc(C)cc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000303264887 565568885 /nfs/dbraw/zinc/56/88/85/565568885.db2.gz FCDTVOFEBOQNJV-GFCCVEGCSA-N -1 3 386.926 3.174 20 0 GGADHM Cc1csc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1Br ZINC000190912119 565569255 /nfs/dbraw/zinc/56/92/55/565569255.db2.gz SPUICRCHJMYMQV-UHFFFAOYSA-N -1 3 397.294 3.075 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)o1 ZINC000394228855 565569468 /nfs/dbraw/zinc/56/94/68/565569468.db2.gz LSPICACEWMLIGG-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000393801836 565570145 /nfs/dbraw/zinc/57/01/45/565570145.db2.gz MLZODSIVVRSHPR-OAHLLOKOSA-N -1 3 375.266 3.159 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000173608842 565570379 /nfs/dbraw/zinc/57/03/79/565570379.db2.gz XZAXMQYQEPSCJF-NSHDSACASA-N -1 3 378.391 3.483 20 0 GGADHM COCCS(=O)(=O)[N-][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000173618426 565570448 /nfs/dbraw/zinc/57/04/48/565570448.db2.gz DAGVQEGETCAGIN-INIZCTEOSA-N -1 3 375.824 3.273 20 0 GGADHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000303523022 565571026 /nfs/dbraw/zinc/57/10/26/565571026.db2.gz ZMBCQLJTHBKDKO-GFCCVEGCSA-N -1 3 378.460 3.283 20 0 GGADHM CC[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000303523023 565571498 /nfs/dbraw/zinc/57/14/98/565571498.db2.gz ZMBCQLJTHBKDKO-LBPRGKRZSA-N -1 3 378.460 3.283 20 0 GGADHM CCC[C@@H](C)CS(=O)(=O)[N-]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000303647644 565572466 /nfs/dbraw/zinc/57/24/66/565572466.db2.gz SWNBZKSGJCAQRZ-LLVKDONJSA-N -1 3 391.331 3.052 20 0 GGADHM CCCCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000303778552 565573916 /nfs/dbraw/zinc/57/39/16/565573916.db2.gz IFLIUGXQHMQTDX-UHFFFAOYSA-N -1 3 376.544 3.039 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000303777227 565574005 /nfs/dbraw/zinc/57/40/05/565574005.db2.gz GHPQXOOUKNUWCK-NSHDSACASA-N -1 3 384.851 3.369 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C)C2)cc1 ZINC000303845247 565574946 /nfs/dbraw/zinc/57/49/46/565574946.db2.gz UBBAKJCUVVOGOX-HOCLYGCPSA-N -1 3 388.555 3.085 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000190973694 565575134 /nfs/dbraw/zinc/57/51/34/565575134.db2.gz MNOAPRZAADXJDZ-MRXNPFEDSA-N -1 3 383.286 3.255 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000278764435 565576315 /nfs/dbraw/zinc/57/63/15/565576315.db2.gz KMLMKRSSGDWXNI-ZFWWWQNUSA-N -1 3 383.897 3.182 20 0 GGADHM COc1cc(C(=O)NCc2cc(Br)ccc2C)cc(OC)c1[O-] ZINC000191074514 565580938 /nfs/dbraw/zinc/58/09/38/565580938.db2.gz UJJGTPVWRMQFDT-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cncc(Br)c1)CC(F)(F)F ZINC000402287670 565581597 /nfs/dbraw/zinc/58/15/97/565581597.db2.gz OGKSXSJMWVKRPY-MRVPVSSYSA-N -1 3 375.210 3.101 20 0 GGADHM O=S(=O)([N-]CCC1CCOCC1)c1ccc(Cl)c(Br)c1 ZINC000312625707 565582303 /nfs/dbraw/zinc/58/23/03/565582303.db2.gz QCGHYYCOVGTSHW-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000312869734 565582946 /nfs/dbraw/zinc/58/29/46/565582946.db2.gz UCUSSOOQGKXBSG-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C[C@H](O)c1cccs1 ZINC000278899325 565584258 /nfs/dbraw/zinc/58/42/58/565584258.db2.gz YGFYDNCQTFFOJO-JQWIXIFHSA-N -1 3 375.899 3.201 20 0 GGADHM CC(C)C[C@@]1(CO)CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000191171027 565586501 /nfs/dbraw/zinc/58/65/01/565586501.db2.gz HYMBMPHXUNEITK-QGZVFWFLSA-N -1 3 385.302 3.237 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000314879488 565588411 /nfs/dbraw/zinc/58/84/11/565588411.db2.gz HWZMEUIIUKNVAR-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM COc1cc(CNCc2cccc([O-])c2Br)cc(OC)c1OC ZINC000314842667 565588688 /nfs/dbraw/zinc/58/86/88/565588688.db2.gz AFZLUKAOIVEROB-UHFFFAOYSA-N -1 3 382.254 3.470 20 0 GGADHM C[C@@H]1[C@H](C)OCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000407996228 565589750 /nfs/dbraw/zinc/58/97/50/565589750.db2.gz PRKNDZQCOLPFST-BDAKNGLRSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@@H]1[C@H](C)OCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000407996228 565589754 /nfs/dbraw/zinc/58/97/54/565589754.db2.gz PRKNDZQCOLPFST-BDAKNGLRSA-N -1 3 399.672 3.193 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000173815235 565589938 /nfs/dbraw/zinc/58/99/38/565589938.db2.gz ZQDRXVXYIFNAGO-KRWDZBQOSA-N -1 3 376.503 3.336 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)sc1Br ZINC000408087046 565592948 /nfs/dbraw/zinc/59/29/48/565592948.db2.gz BMBBSGLHNYBLNL-QWRGUYRKSA-N -1 3 382.345 3.301 20 0 GGADHM Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000279105205 565595916 /nfs/dbraw/zinc/59/59/16/565595916.db2.gz WIWBSRNUSWGLFB-CQSZACIVSA-N -1 3 395.257 3.061 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccsc3Cl)CC2)[n-]1 ZINC000279127199 565597378 /nfs/dbraw/zinc/59/73/78/565597378.db2.gz WNKYDGMJLIZBQO-UHFFFAOYSA-N -1 3 383.861 3.108 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccsc3Cl)CC2)n[n-]1 ZINC000279127199 565597384 /nfs/dbraw/zinc/59/73/84/565597384.db2.gz WNKYDGMJLIZBQO-UHFFFAOYSA-N -1 3 383.861 3.108 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCCC[C@@H]2C[C@@H](C)O)cc(Br)c1[O-] ZINC000279146310 565598204 /nfs/dbraw/zinc/59/82/04/565598204.db2.gz COAPPSXLJHWWON-WQYAIIHGSA-N -1 3 398.297 3.329 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C2CC2)sc1Br ZINC000408183814 565598342 /nfs/dbraw/zinc/59/83/42/565598342.db2.gz UTTBGMRIDASSPQ-AAEUAGOBSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000319396239 565599537 /nfs/dbraw/zinc/59/95/37/565599537.db2.gz KZVIZOZKJCQLGZ-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000173932703 565600308 /nfs/dbraw/zinc/60/03/08/565600308.db2.gz RYFBEYWXTQFVMT-UHFFFAOYSA-N -1 3 380.238 3.401 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(Cl)c1Cl ZINC000408234517 565600605 /nfs/dbraw/zinc/60/06/05/565600605.db2.gz DFQNFWIJRVOWJJ-PCTYZZJISA-N -1 3 380.293 3.094 20 0 GGADHM CC[C@@H](C)C[C@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000173949342 565601572 /nfs/dbraw/zinc/60/15/72/565601572.db2.gz CFOVCXKINCATNX-KGLIPLIRSA-N -1 3 387.571 3.025 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccccc2Br)c1 ZINC000173970245 565602995 /nfs/dbraw/zinc/60/29/95/565602995.db2.gz KYFGEERELISBGA-UHFFFAOYSA-N -1 3 397.294 3.310 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000173970952 565603270 /nfs/dbraw/zinc/60/32/70/565603270.db2.gz ZFQGKMKIIJJKMQ-UHFFFAOYSA-N -1 3 376.331 3.175 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2sccc2Br)c1 ZINC000173984346 565604025 /nfs/dbraw/zinc/60/40/25/565604025.db2.gz YWAQCKOQFVYRMZ-UHFFFAOYSA-N -1 3 389.296 3.443 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1ccc(F)cc1Cl ZINC000174032764 565607879 /nfs/dbraw/zinc/60/78/79/565607879.db2.gz BIZCMUYULFPFTM-UHFFFAOYSA-N -1 3 388.795 3.475 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1cc(F)ccc1Cl ZINC000174031713 565608245 /nfs/dbraw/zinc/60/82/45/565608245.db2.gz PMQGBFZHRJVJBL-UHFFFAOYSA-N -1 3 388.795 3.475 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000174039935 565609304 /nfs/dbraw/zinc/60/93/04/565609304.db2.gz SOMQJKFHSWTLQH-VIFPVBQESA-N -1 3 377.388 3.425 20 0 GGADHM C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1nnnn1C1CC1 ZINC000191537991 565611352 /nfs/dbraw/zinc/61/13/52/565611352.db2.gz PJFLUDROSTZYOO-VIFPVBQESA-N -1 3 377.861 3.212 20 0 GGADHM CCOc1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000409485836 565618455 /nfs/dbraw/zinc/61/84/55/565618455.db2.gz PNZAZZCXYWSPTP-UHFFFAOYSA-N -1 3 386.267 3.032 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC ZINC000325092431 565620659 /nfs/dbraw/zinc/62/06/59/565620659.db2.gz MLMBZYRFHMPYOK-ZDUSSCGKSA-N -1 3 387.807 3.369 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000325297419 565621036 /nfs/dbraw/zinc/62/10/36/565621036.db2.gz YYDAWUPMTIQFTN-MRVPVSSYSA-N -1 3 387.807 3.367 20 0 GGADHM Cc1cccc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)n1 ZINC000409542584 565623612 /nfs/dbraw/zinc/62/36/12/565623612.db2.gz HYOGXPMIGZPMPO-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCCCSc2ccccc2)ccc1F ZINC000409573137 565624700 /nfs/dbraw/zinc/62/47/00/565624700.db2.gz DXPHOBABVZYDPT-UHFFFAOYSA-N -1 3 382.482 3.109 20 0 GGADHM CC(C)n1cnc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c1 ZINC000409615318 565627976 /nfs/dbraw/zinc/62/79/76/565627976.db2.gz JICSJHUWAIHSRG-UHFFFAOYSA-N -1 3 392.232 3.430 20 0 GGADHM CN(CC1CCN(C)CC1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000174303279 565628194 /nfs/dbraw/zinc/62/81/94/565628194.db2.gz FRYQSAVYJASWMU-UHFFFAOYSA-N -1 3 375.694 3.222 20 0 GGADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(Cl)c1 ZINC000174325733 565629898 /nfs/dbraw/zinc/62/98/98/565629898.db2.gz WUGZCWPLRGLKPJ-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1cc(C)ccc1OC ZINC000327668789 565632306 /nfs/dbraw/zinc/63/23/06/565632306.db2.gz KTEMRNYDQRTJCH-GFCCVEGCSA-N -1 3 383.491 3.200 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2ccc(Br)cn2)cc(OC)c1[O-] ZINC000279816120 565634941 /nfs/dbraw/zinc/63/49/41/565634941.db2.gz AAGDGXCOEMQGME-SECBINFHSA-N -1 3 381.226 3.058 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)sc1Br ZINC000328420370 565635820 /nfs/dbraw/zinc/63/58/20/565635820.db2.gz ZAANUIIBFQALSS-NSHDSACASA-N -1 3 388.308 3.101 20 0 GGADHM O=c1[n-]cnc2c1CN(c1ccnc3c(Br)ccc(F)c13)CC2 ZINC000409727643 565638043 /nfs/dbraw/zinc/63/80/43/565638043.db2.gz FGNXCUKXGSLVKX-UHFFFAOYSA-N -1 3 375.201 3.195 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc1Cl ZINC000191862393 565638156 /nfs/dbraw/zinc/63/81/56/565638156.db2.gz QRSAZMMXOMFITG-JTQLQIEISA-N -1 3 393.939 3.153 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cc(C(F)(F)F)ccc1F ZINC000328669840 565638717 /nfs/dbraw/zinc/63/87/17/565638717.db2.gz MHGAOMQXFUEKCZ-CQSZACIVSA-N -1 3 381.391 3.472 20 0 GGADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccc2c(c1)CCO2 ZINC000191879092 565639080 /nfs/dbraw/zinc/63/90/80/565639080.db2.gz PHYPETZWGCXKDX-UHFFFAOYSA-N -1 3 390.205 3.463 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)sc1Cl ZINC000191881769 565639188 /nfs/dbraw/zinc/63/91/88/565639188.db2.gz IWSZIONZAQPOFH-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cs1 ZINC000279900915 565639786 /nfs/dbraw/zinc/63/97/86/565639786.db2.gz VCRZNANGURZQIO-MRVPVSSYSA-N -1 3 396.412 3.070 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2cc(F)cc3c2OCOC3)sc1Cl ZINC000191882781 565640211 /nfs/dbraw/zinc/64/02/11/565640211.db2.gz LZCZPXDWGOTRQH-UHFFFAOYSA-N -1 3 391.873 3.237 20 0 GGADHM COC(=O)C[C@](C)(NCc1cc([O-])ccc1Br)c1ccncc1 ZINC000191905971 565641213 /nfs/dbraw/zinc/64/12/13/565641213.db2.gz JIFSOTUCDPRCLH-KRWDZBQOSA-N -1 3 379.254 3.118 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2N2CCOCC2)sc1Cl ZINC000191908704 565641417 /nfs/dbraw/zinc/64/14/17/565641417.db2.gz MLZSQPFVOVERHY-UHFFFAOYSA-N -1 3 386.926 3.025 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(C(F)(F)F)cc1F ZINC000328809097 565641543 /nfs/dbraw/zinc/64/15/43/565641543.db2.gz MLFZHCOVLULDON-CQSZACIVSA-N -1 3 381.391 3.472 20 0 GGADHM COc1cc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc(OC)c1[O-] ZINC000279944267 565641986 /nfs/dbraw/zinc/64/19/86/565641986.db2.gz XHYQNJGPIBKVEL-UHFFFAOYSA-N -1 3 375.265 3.366 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(F)cc1C(F)(F)F ZINC000328782348 565642501 /nfs/dbraw/zinc/64/25/01/565642501.db2.gz JPRYZRZVHWWGIM-AWEZNQCLSA-N -1 3 381.391 3.472 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)sc1Cl ZINC000191914624 565642845 /nfs/dbraw/zinc/64/28/45/565642845.db2.gz HEBXHIAPRKENLZ-UHFFFAOYSA-N -1 3 376.853 3.015 20 0 GGADHM O=C(CCCNC(=O)[C@@H]1CC=CCC1)NCc1ccc([O-])c(Br)c1 ZINC000409848306 565643825 /nfs/dbraw/zinc/64/38/25/565643825.db2.gz BMTXMHHNSBGBDI-CQSZACIVSA-N -1 3 395.297 3.024 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)sc1Cl ZINC000191924909 565643921 /nfs/dbraw/zinc/64/39/21/565643921.db2.gz XWNSLPGPMZGMHZ-UHFFFAOYSA-N -1 3 377.846 3.194 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc3c(c2)nc(C2CC2)n3C)s1 ZINC000328843170 565644097 /nfs/dbraw/zinc/64/40/97/565644097.db2.gz WBYOMNBTPNSOKQ-UHFFFAOYSA-N -1 3 376.507 3.003 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C2CCC2)c1 ZINC000409855281 565644761 /nfs/dbraw/zinc/64/47/61/565644761.db2.gz IWQBYYCLIDRBPO-UHFFFAOYSA-N -1 3 398.937 3.377 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H]3CCC[C@@H](C(F)(F)F)C3)cnc2c1Cl ZINC000328880538 565646235 /nfs/dbraw/zinc/64/62/35/565646235.db2.gz KRQOVDMFEUTGAL-ZJUUUORDSA-N -1 3 396.822 3.091 20 0 GGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccnc2Br)[n-]1 ZINC000191964660 565646493 /nfs/dbraw/zinc/64/64/93/565646493.db2.gz CKHSYMRCCMNSLJ-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)c2cccnc2Br)c(C(=O)OCC)[n-]1 ZINC000191964660 565646494 /nfs/dbraw/zinc/64/64/94/565646494.db2.gz CKHSYMRCCMNSLJ-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000409884889 565646590 /nfs/dbraw/zinc/64/65/90/565646590.db2.gz UPZZICXKWDCDRO-LBPRGKRZSA-N -1 3 387.237 3.436 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000174608946 565647112 /nfs/dbraw/zinc/64/71/12/565647112.db2.gz RDCBVKUIBMYFHV-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000174611157 565647574 /nfs/dbraw/zinc/64/75/74/565647574.db2.gz XIDGQPQVGVUTRB-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000191980382 565647628 /nfs/dbraw/zinc/64/76/28/565647628.db2.gz GQURXJBUNQKETF-ZDUSSCGKSA-N -1 3 378.866 3.097 20 0 GGADHM C[C@H]1C[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1=O ZINC000328958772 565648821 /nfs/dbraw/zinc/64/88/21/565648821.db2.gz OPHMQOLRFJOARE-VHSXEESVSA-N -1 3 394.244 3.344 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1=O ZINC000328958774 565648836 /nfs/dbraw/zinc/64/88/36/565648836.db2.gz OPHMQOLRFJOARE-ZJUUUORDSA-N -1 3 394.244 3.344 20 0 GGADHM CCCN(C(=O)C(=O)[N-]c1cnns1)[C@H](C)c1ccccc1Br ZINC000191990607 565648907 /nfs/dbraw/zinc/64/89/07/565648907.db2.gz JRJVMTCQAATORE-SNVBAGLBSA-N -1 3 397.298 3.239 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000409923035 565650192 /nfs/dbraw/zinc/65/01/92/565650192.db2.gz YSHQZESFCDGMTQ-UHFFFAOYSA-N -1 3 384.914 3.380 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c1 ZINC000280069755 565650458 /nfs/dbraw/zinc/65/04/58/565650458.db2.gz PQRAWWATKASVGR-AWEZNQCLSA-N -1 3 381.885 3.022 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000174667867 565651309 /nfs/dbraw/zinc/65/13/09/565651309.db2.gz YMVOBWSIQADBMR-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccccc2Br)CC1 ZINC000174670963 565651410 /nfs/dbraw/zinc/65/14/10/565651410.db2.gz PVVUFGFBWZDJCX-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM CN(Cc1cc2ccccc2o1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000174694416 565652230 /nfs/dbraw/zinc/65/22/30/565652230.db2.gz KMNPCIOXQQLRCL-UHFFFAOYSA-N -1 3 398.893 3.085 20 0 GGADHM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000280119426 565652762 /nfs/dbraw/zinc/65/27/62/565652762.db2.gz ALKXIZIOFTXCEA-UHFFFAOYSA-N -1 3 399.968 3.044 20 0 GGADHM O=S1(=O)CCN(Cc2cc([O-])ccc2Br)CC12CCCCC2 ZINC000329101172 565654709 /nfs/dbraw/zinc/65/47/09/565654709.db2.gz MVSDMXCXIXKVSF-UHFFFAOYSA-N -1 3 388.327 3.088 20 0 GGADHM COc1ccc(CNc2cc([C@H]3CCCOC3)nn2C)c(Br)c1[O-] ZINC000280154444 565655636 /nfs/dbraw/zinc/65/56/36/565655636.db2.gz RUHCXTMVBYMYOR-LBPRGKRZSA-N -1 3 396.285 3.403 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)c(F)c1 ZINC000174756033 565656416 /nfs/dbraw/zinc/65/64/16/565656416.db2.gz FGFGCUTUDKDJRV-UHFFFAOYSA-N -1 3 380.294 3.141 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000329237158 565660706 /nfs/dbraw/zinc/66/07/06/565660706.db2.gz KBBGBBBPSHIYSX-LBPRGKRZSA-N -1 3 376.503 3.382 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000174878504 565665249 /nfs/dbraw/zinc/66/52/49/565665249.db2.gz GGFOPMGCVVBZPS-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM O=S(=O)([N-]c1cc([C@@H]2CCCOC2)n[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000280333610 565665435 /nfs/dbraw/zinc/66/54/35/565665435.db2.gz QNNYWFGKGRCGGY-SECBINFHSA-N -1 3 376.265 3.411 20 0 GGADHM COCCOc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000192179107 565665466 /nfs/dbraw/zinc/66/54/66/565665466.db2.gz PMMGLUKYYBYQQB-UHFFFAOYSA-N -1 3 394.265 3.039 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1Cl ZINC000280331785 565666245 /nfs/dbraw/zinc/66/62/45/565666245.db2.gz QMNKMBRRODPUAD-NSHDSACASA-N -1 3 385.873 3.075 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@]12CCCO2 ZINC000329509199 565668133 /nfs/dbraw/zinc/66/81/33/565668133.db2.gz JOZNEOMFSGNWSP-BZUAXINKSA-N -1 3 394.320 3.139 20 0 GGADHM CC[C@H]1C[C@@]1([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1cccc(C)c1 ZINC000410166104 565668328 /nfs/dbraw/zinc/66/83/28/565668328.db2.gz PKWRQYFXWOPFRO-UGSOOPFHSA-N -1 3 379.503 3.447 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2cn(C3CCCC3)nc21)c1cncc(Cl)c1 ZINC000329534771 565669998 /nfs/dbraw/zinc/66/99/98/565669998.db2.gz YVEZGPHLEBHOOS-INIZCTEOSA-N -1 3 380.901 3.403 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Br)s1 ZINC000174969334 565670078 /nfs/dbraw/zinc/67/00/78/565670078.db2.gz UJXBWCPOVGVPBT-UHFFFAOYSA-N -1 3 384.299 3.130 20 0 GGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192214207 565670418 /nfs/dbraw/zinc/67/04/18/565670418.db2.gz DINMDOIGYJXILT-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1ccc(Cl)c(Br)c1 ZINC000192210154 565670685 /nfs/dbraw/zinc/67/06/85/565670685.db2.gz DSBWWLSOZKIRDB-AWEZNQCLSA-N -1 3 390.686 3.114 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000192226736 565671155 /nfs/dbraw/zinc/67/11/55/565671155.db2.gz FLCXWUKIKCGAIN-SECBINFHSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)C3CCC(C(F)(F)F)CC3)CCCC2)no1 ZINC000329572288 565671492 /nfs/dbraw/zinc/67/14/92/565671492.db2.gz JDCAGNGCXMKKHP-UHFFFAOYSA-N -1 3 381.420 3.188 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192218745 565671746 /nfs/dbraw/zinc/67/17/46/565671746.db2.gz XXQGFAGGDGAOBO-SNVBAGLBSA-N -1 3 384.723 3.180 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000329639332 565674041 /nfs/dbraw/zinc/67/40/41/565674041.db2.gz WNEFBQIFKRXRKC-CMPLNLGQSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@]3(C)CCO[C@@H]3C3CC3)s2)cs1 ZINC000329659797 565675508 /nfs/dbraw/zinc/67/55/08/565675508.db2.gz OFMHKAYPHYJGKN-CVEARBPZSA-N -1 3 384.548 3.416 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1nc(C(F)(F)F)cs1 ZINC000175037756 565676464 /nfs/dbraw/zinc/67/64/64/565676464.db2.gz HRYSZHGKWUVCBM-SNVBAGLBSA-N -1 3 396.460 3.444 20 0 GGADHM COC[C@](C)([N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1)C(F)(F)F ZINC000410327061 565676988 /nfs/dbraw/zinc/67/69/88/565676988.db2.gz RQZCDHQWXOZCIE-AWEZNQCLSA-N -1 3 394.440 3.364 20 0 GGADHM Cc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(Cl)c1 ZINC000192308255 565678833 /nfs/dbraw/zinc/67/88/33/565678833.db2.gz UFWIVJOXUXXMHJ-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Cl)cc1Br ZINC000329767603 565678970 /nfs/dbraw/zinc/67/89/70/565678970.db2.gz ZTPCGMULARAELF-CYZMBNFOSA-N -1 3 394.718 3.338 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1 ZINC000410359472 565679064 /nfs/dbraw/zinc/67/90/64/565679064.db2.gz MNJQZNXJUPQMDA-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)s1 ZINC000329780591 565680617 /nfs/dbraw/zinc/68/06/17/565680617.db2.gz MSWANMFLGRJGAU-MRXNPFEDSA-N -1 3 378.519 3.132 20 0 GGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000192326262 565680844 /nfs/dbraw/zinc/68/08/44/565680844.db2.gz BIXVKJWOIZHZJU-UHFFFAOYSA-N -1 3 396.234 3.445 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@]12CCCO2 ZINC000329800293 565680966 /nfs/dbraw/zinc/68/09/66/565680966.db2.gz YFAOQGVHTFNCLL-ARFHVFGLSA-N -1 3 394.320 3.139 20 0 GGADHM O=C([N-]c1cc(F)c(F)cc1I)c1ncc(F)cc1F ZINC000192361171 565681884 /nfs/dbraw/zinc/68/18/84/565681884.db2.gz RJYKNSBVGUBIRE-UHFFFAOYSA-N -1 3 396.081 3.495 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCc2nccn2C1)c1cc2cc(Cl)ccc2s1 ZINC000329855988 565683564 /nfs/dbraw/zinc/68/35/64/565683564.db2.gz XUBLSSWZLHCIQG-NSHDSACASA-N -1 3 381.910 3.292 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000410401139 565683629 /nfs/dbraw/zinc/68/36/29/565683629.db2.gz NVVNZIGRPFCWBN-UHFFFAOYSA-N -1 3 399.255 3.022 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000192381982 565684268 /nfs/dbraw/zinc/68/42/68/565684268.db2.gz IEXDMKIWMGJOBF-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c1 ZINC000175209799 565684981 /nfs/dbraw/zinc/68/49/81/565684981.db2.gz IUZGIBITZWAQIR-CYBMUJFWSA-N -1 3 386.267 3.407 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c(C)o1 ZINC000175205748 565685079 /nfs/dbraw/zinc/68/50/79/565685079.db2.gz GAHCEPXVHAMVGF-OAHLLOKOSA-N -1 3 382.869 3.127 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1 ZINC000175212407 565685094 /nfs/dbraw/zinc/68/50/94/565685094.db2.gz HOXMTFLRVGWWHU-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)s1 ZINC000329912594 565685484 /nfs/dbraw/zinc/68/54/84/565685484.db2.gz OIYGXHSTZMNHQO-JLLWLGSASA-N -1 3 380.329 3.055 20 0 GGADHM Cc1ncccc1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000175215314 565685863 /nfs/dbraw/zinc/68/58/63/565685863.db2.gz OHYOGJQSXDBALV-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc(C)c1Br ZINC000192418570 565687647 /nfs/dbraw/zinc/68/76/47/565687647.db2.gz KMRIDQCUJLLCID-UHFFFAOYSA-N -1 3 378.270 3.337 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCN(C(C)C)C3)s2)cs1 ZINC000329992225 565688180 /nfs/dbraw/zinc/68/81/80/565688180.db2.gz KHFQGFDCGCVROJ-ZDUSSCGKSA-N -1 3 385.580 3.331 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4ncsc4c3)CCCCC2)no1 ZINC000330000917 565688832 /nfs/dbraw/zinc/68/88/32/565688832.db2.gz XHMAVEBRRAKMRK-UHFFFAOYSA-N -1 3 378.479 3.126 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175279901 565690586 /nfs/dbraw/zinc/69/05/86/565690586.db2.gz FTWVQDIBPFQEBS-QWHCGFSZSA-N -1 3 394.356 3.410 20 0 GGADHM CC(C)CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000175281042 565690600 /nfs/dbraw/zinc/69/06/00/565690600.db2.gz NFDAAOCILZOPRN-UHFFFAOYSA-N -1 3 382.507 3.090 20 0 GGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175279915 565690674 /nfs/dbraw/zinc/69/06/74/565690674.db2.gz FTWVQDIBPFQEBS-STQMWFEESA-N -1 3 394.356 3.410 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)c2nccs2)c1 ZINC000175291215 565691135 /nfs/dbraw/zinc/69/11/35/565691135.db2.gz KIHQADHRVNCZSC-UHFFFAOYSA-N -1 3 391.312 3.128 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C3CC3)cnc2Cl)s1 ZINC000280724962 565691569 /nfs/dbraw/zinc/69/15/69/565691569.db2.gz YKEUJKGTZFJMGW-UHFFFAOYSA-N -1 3 398.897 3.371 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](SC)C2)c1 ZINC000175292741 565691875 /nfs/dbraw/zinc/69/18/75/565691875.db2.gz FGRNLFQVFBDVDL-CMPLNLGQSA-N -1 3 394.356 3.410 20 0 GGADHM O=S(=O)([N-]c1cnn(CC(F)(F)F)c1)N1CCC2(CCCCC2)CC1 ZINC000330086281 565692803 /nfs/dbraw/zinc/69/28/03/565692803.db2.gz SALJQYWZOOFXLR-UHFFFAOYSA-N -1 3 380.436 3.148 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccc(C)o1 ZINC000175348832 565694825 /nfs/dbraw/zinc/69/48/25/565694825.db2.gz NVKLDZZIMSNYHX-ZDUSSCGKSA-N -1 3 379.356 3.153 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C)c1ccc(C)o1 ZINC000175349339 565695200 /nfs/dbraw/zinc/69/52/00/565695200.db2.gz RBEKCCZKYNMSSL-ZDUSSCGKSA-N -1 3 388.283 3.325 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccc(C)o1 ZINC000175351809 565695364 /nfs/dbraw/zinc/69/53/64/565695364.db2.gz DQLBZGDIZWNXBW-CQSZACIVSA-N -1 3 377.384 3.414 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccc(Br)c(F)c1 ZINC000330175817 565696256 /nfs/dbraw/zinc/69/62/56/565696256.db2.gz JLIIXPZKBGGOLG-LLVKDONJSA-N -1 3 392.290 3.358 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CCCCC2)CC1)c1cc(F)c(F)cc1F ZINC000175415772 565698201 /nfs/dbraw/zinc/69/82/01/565698201.db2.gz XSQJKDIJAWSFKA-UHFFFAOYSA-N -1 3 376.444 3.179 20 0 GGADHM CCSc1cccc(Br)c1[N-]C(=O)c1cc(C)nc(NC)n1 ZINC000410875896 565699324 /nfs/dbraw/zinc/69/93/24/565699324.db2.gz DOEAHKNOTNMUTG-UHFFFAOYSA-N -1 3 381.299 3.375 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Cl)ccc1Br ZINC000330262742 565699436 /nfs/dbraw/zinc/69/94/36/565699436.db2.gz VNGOJCLVMMKJNA-RTXFEEFZSA-N -1 3 394.718 3.338 20 0 GGADHM CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000280848011 565700006 /nfs/dbraw/zinc/70/00/06/565700006.db2.gz CIBXQDMFKDPVRQ-LLVKDONJSA-N -1 3 389.308 3.002 20 0 GGADHM O=C([N-]CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1)C(F)(F)F ZINC000280932443 565703424 /nfs/dbraw/zinc/70/34/24/565703424.db2.gz HKENBSRHITZMNN-UHFFFAOYSA-N -1 3 397.850 3.044 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1F ZINC000192666378 565703861 /nfs/dbraw/zinc/70/38/61/565703861.db2.gz KXETZPRFGSITCY-UHFFFAOYSA-N -1 3 380.294 3.006 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1OC ZINC000330391770 565703867 /nfs/dbraw/zinc/70/38/67/565703867.db2.gz AAYPWSPUFYYGHZ-NSHDSACASA-N -1 3 376.425 3.221 20 0 GGADHM C[C@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(Cl)s1 ZINC000175527578 565704961 /nfs/dbraw/zinc/70/49/61/565704961.db2.gz SATLKZNFUPHDAD-HUTHGQBESA-N -1 3 377.853 3.198 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCCC[C@H]1C ZINC000330434474 565706075 /nfs/dbraw/zinc/70/60/75/565706075.db2.gz LKADHBPKKHRGEL-GHMZBOCLSA-N -1 3 379.309 3.061 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCCC[C@H]1C ZINC000330434475 565706211 /nfs/dbraw/zinc/70/62/11/565706211.db2.gz LKADHBPKKHRGEL-MNOVXSKESA-N -1 3 379.309 3.061 20 0 GGADHM Cc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1[O-] ZINC000192697010 565706868 /nfs/dbraw/zinc/70/68/68/565706868.db2.gz GZXPCYFDVFZBNS-UHFFFAOYSA-N -1 3 391.265 3.482 20 0 GGADHM COc1ncnc(OC)c1C(=O)[N-]c1cc(Br)c(F)cc1Cl ZINC000175575941 565709462 /nfs/dbraw/zinc/70/94/62/565709462.db2.gz BUMWLNFVRQDYFC-UHFFFAOYSA-N -1 3 390.596 3.301 20 0 GGADHM Cc1ccnc2nc(C(=O)[N-]c3cc(Br)c(F)cc3Cl)nn21 ZINC000175582966 565710398 /nfs/dbraw/zinc/71/03/98/565710398.db2.gz HCASXDRWHJOLGL-UHFFFAOYSA-N -1 3 384.596 3.240 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000330520114 565710716 /nfs/dbraw/zinc/71/07/16/565710716.db2.gz GSZWKAOYDPWJGO-UHFFFAOYSA-N -1 3 384.242 3.314 20 0 GGADHM Cc1cc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1Br ZINC000411110519 565712278 /nfs/dbraw/zinc/71/22/78/565712278.db2.gz OZDWABYNORBGKB-UHFFFAOYSA-N -1 3 378.270 3.119 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccoc1Br ZINC000192824537 565713107 /nfs/dbraw/zinc/71/31/07/565713107.db2.gz DWWIUKLXAMDMSB-UHFFFAOYSA-N -1 3 385.239 3.345 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000175652100 565713329 /nfs/dbraw/zinc/71/33/29/565713329.db2.gz INBXHVVHJPNKIX-BAGVQZLWSA-N -1 3 383.457 3.064 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000175646950 565713346 /nfs/dbraw/zinc/71/33/46/565713346.db2.gz WWMPCKGLAQDKPX-OABGYEMISA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000175652135 565713518 /nfs/dbraw/zinc/71/35/18/565713518.db2.gz INBXHVVHJPNKIX-RSPIHXBNSA-N -1 3 383.457 3.064 20 0 GGADHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000175652083 565713751 /nfs/dbraw/zinc/71/37/51/565713751.db2.gz INBXHVVHJPNKIX-AQXOFRPNSA-N -1 3 383.457 3.064 20 0 GGADHM C[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000281153155 565714131 /nfs/dbraw/zinc/71/41/31/565714131.db2.gz KUAMKJOZRDYULT-QMMMGPOBSA-N -1 3 383.779 3.323 20 0 GGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330634249 565715734 /nfs/dbraw/zinc/71/57/34/565715734.db2.gz LDRPZVVAGKCPRQ-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000330629473 565715881 /nfs/dbraw/zinc/71/58/81/565715881.db2.gz NAGKGIYBWPSHGC-QMTHXVAHSA-N -1 3 380.279 3.070 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c(Cl)c1Cl ZINC000330641303 565716557 /nfs/dbraw/zinc/71/65/57/565716557.db2.gz XBCLMKAOLCOUAS-JQWIXIFHSA-N -1 3 382.309 3.484 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c(Cl)c1Cl ZINC000330641305 565716930 /nfs/dbraw/zinc/71/69/30/565716930.db2.gz XBCLMKAOLCOUAS-PWSUYJOCSA-N -1 3 382.309 3.484 20 0 GGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1c(F)cccc1Cl ZINC000175692288 565717117 /nfs/dbraw/zinc/71/71/17/565717117.db2.gz GIBTXPBHDXAUFA-SNVBAGLBSA-N -1 3 390.889 3.086 20 0 GGADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)CCO1 ZINC000330724431 565720661 /nfs/dbraw/zinc/72/06/61/565720661.db2.gz DFKBELJIXHSBMI-KBPBESRZSA-N -1 3 391.331 3.106 20 0 GGADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2cncc(Br)c2)CCO1 ZINC000330742521 565721324 /nfs/dbraw/zinc/72/13/24/565721324.db2.gz QPTHESZOQNTBGD-UKRRQHHQSA-N -1 3 391.331 3.106 20 0 GGADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cncc(Br)c2)CCO1 ZINC000330742520 565721383 /nfs/dbraw/zinc/72/13/83/565721383.db2.gz QPTHESZOQNTBGD-HIFRSBDPSA-N -1 3 391.331 3.106 20 0 GGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330792183 565722187 /nfs/dbraw/zinc/72/21/87/565722187.db2.gz BUEYEHXAFSLAKR-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000330767026 565722620 /nfs/dbraw/zinc/72/26/20/565722620.db2.gz KZYSCFVYHKDBBR-UHFFFAOYSA-N -1 3 377.306 3.095 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Br)o1)c1nc(C)cs1 ZINC000330840734 565725120 /nfs/dbraw/zinc/72/51/20/565725120.db2.gz ZOBBUZBTKDJLAU-LBPRGKRZSA-N -1 3 379.301 3.411 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c(F)cc1F ZINC000175806090 565725101 /nfs/dbraw/zinc/72/51/01/565725101.db2.gz PIFYXCLLMLBEGJ-UHFFFAOYSA-N -1 3 386.367 3.270 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cncc(Br)c2)sc1C ZINC000330825038 565725429 /nfs/dbraw/zinc/72/54/29/565725429.db2.gz IGVBEYSFNZFPFF-UHFFFAOYSA-N -1 3 390.328 3.131 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)oc1C ZINC000175831387 565726126 /nfs/dbraw/zinc/72/61/26/565726126.db2.gz VMBVSKLBNCMDAV-SECBINFHSA-N -1 3 386.495 3.168 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330861392 565726114 /nfs/dbraw/zinc/72/61/14/565726114.db2.gz WQWNYGNPCNYZGY-ZANVPECISA-N -1 3 384.723 3.178 20 0 GGADHM NC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000330852881 565726492 /nfs/dbraw/zinc/72/64/92/565726492.db2.gz RDOLLHXDMHBENL-UHFFFAOYSA-N -1 3 395.706 3.475 20 0 GGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1ccc(Cl)cc1Br ZINC000330855094 565726548 /nfs/dbraw/zinc/72/65/48/565726548.db2.gz YMGBPPNRWGKHHZ-NSHDSACASA-N -1 3 382.707 3.340 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330861386 565726592 /nfs/dbraw/zinc/72/65/92/565726592.db2.gz WQWNYGNPCNYZGY-NOZJJQNGSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1ccc(Cl)cc1Br ZINC000330855093 565726664 /nfs/dbraw/zinc/72/66/64/565726664.db2.gz YMGBPPNRWGKHHZ-LLVKDONJSA-N -1 3 382.707 3.340 20 0 GGADHM O=S(=O)([N-]C1CCC(C(F)(F)F)CC1)c1ccc(Br)cn1 ZINC000330907097 565728605 /nfs/dbraw/zinc/72/86/05/565728605.db2.gz VZTAWYNXFWBGLX-UHFFFAOYSA-N -1 3 387.221 3.244 20 0 GGADHM CC(C)(C)c1nc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cs1 ZINC000193066751 565730459 /nfs/dbraw/zinc/73/04/59/565730459.db2.gz KVAYTIQSSIZDJQ-UHFFFAOYSA-N -1 3 399.607 3.445 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)sc1Br ZINC000331204731 565746209 /nfs/dbraw/zinc/74/62/09/565746209.db2.gz CQBZNQPOQHIGAA-ZETCQYMHSA-N -1 3 396.250 3.065 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCOCC1 ZINC000330994075 565733738 /nfs/dbraw/zinc/73/37/38/565733738.db2.gz OAPWOUHGMVXODJ-CYBMUJFWSA-N -1 3 380.279 3.072 20 0 GGADHM O=c1[n-]c(CN2CCC(O)(c3ccccc3Cl)CC2)nc2ccsc21 ZINC000193140681 565734581 /nfs/dbraw/zinc/73/45/81/565734581.db2.gz QCDCSIPBLPJRIY-UHFFFAOYSA-N -1 3 375.881 3.122 20 0 GGADHM CN(C)S(=O)(=O)c1cccc(NCc2cc([O-])ccc2Br)c1 ZINC000193148338 565735443 /nfs/dbraw/zinc/73/54/43/565735443.db2.gz BEOYUAAWMDTMAJ-UHFFFAOYSA-N -1 3 385.283 3.017 20 0 GGADHM CC[C@@]1(C)NC(=O)N([N-]C(=O)CCCc2cc(Cl)sc2Cl)C1=O ZINC000193157894 565735495 /nfs/dbraw/zinc/73/54/95/565735495.db2.gz VWNJMAVNLHZMBY-CQSZACIVSA-N -1 3 378.281 3.129 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000331053495 565736736 /nfs/dbraw/zinc/73/67/36/565736736.db2.gz JMIABLCGZLOXSS-MWLCHTKSSA-N -1 3 393.353 3.092 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000331037802 565736855 /nfs/dbraw/zinc/73/68/55/565736855.db2.gz ARHVFVIEAXJEJW-XQQFMLRXSA-N -1 3 388.555 3.153 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000331062877 565737960 /nfs/dbraw/zinc/73/79/60/565737960.db2.gz OCCLTHMMGSVABW-AAEUAGOBSA-N -1 3 380.279 3.070 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)s1 ZINC000331102852 565739075 /nfs/dbraw/zinc/73/90/75/565739075.db2.gz DZUBNHZKUDCONF-UHFFFAOYSA-N -1 3 393.303 3.448 20 0 GGADHM CC[C@H]1CN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)CCCO1 ZINC000281667201 565741292 /nfs/dbraw/zinc/74/12/92/565741292.db2.gz OQPHRHJUYAGOFW-GFUIURDCSA-N -1 3 384.270 3.204 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc3ccccc3s2)c(C)o1 ZINC000176023910 565742138 /nfs/dbraw/zinc/74/21/38/565742138.db2.gz NXDOTRALSGDHDJ-SNVBAGLBSA-N -1 3 378.475 3.202 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1Cl ZINC000281673333 565742368 /nfs/dbraw/zinc/74/23/68/565742368.db2.gz OEBNFIPVDYDMIU-FZMZJTMJSA-N -1 3 382.334 3.326 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000193318466 565744401 /nfs/dbraw/zinc/74/44/01/565744401.db2.gz HTHZZVQZMZUAJJ-LBPRGKRZSA-N -1 3 382.869 3.369 20 0 GGADHM O=C(CCN1CCC[C@@H](c2n[n-]c(=O)o2)C1)Nc1c(Cl)cccc1Cl ZINC000411680814 565744712 /nfs/dbraw/zinc/74/47/12/565744712.db2.gz YBDAHZPQBYBJKB-SNVBAGLBSA-N -1 3 385.251 3.290 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000193317954 565744980 /nfs/dbraw/zinc/74/49/80/565744980.db2.gz NOVDGMBMUJPYKV-GFCCVEGCSA-N -1 3 388.917 3.179 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000331218444 565747112 /nfs/dbraw/zinc/74/71/12/565747112.db2.gz XETTYXJITSVVET-SWLSCSKDSA-N -1 3 377.503 3.186 20 0 GGADHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)cnn1C ZINC000331225041 565748097 /nfs/dbraw/zinc/74/80/97/565748097.db2.gz XJMVSEJXAJYIOH-ZCFIWIBFSA-N -1 3 398.735 3.245 20 0 GGADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ncccc1Br ZINC000193440856 565751563 /nfs/dbraw/zinc/75/15/63/565751563.db2.gz BBONQNKVQLGZEO-UHFFFAOYSA-N -1 3 392.644 3.390 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000193447843 565752782 /nfs/dbraw/zinc/75/27/82/565752782.db2.gz HKDFBUQCDZWJDH-GFCCVEGCSA-N -1 3 382.279 3.076 20 0 GGADHM Cc1cncc(NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)c1 ZINC000176151671 565753535 /nfs/dbraw/zinc/75/35/35/565753535.db2.gz YUPNMNUGJPKTDC-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1F ZINC000193468922 565753545 /nfs/dbraw/zinc/75/35/45/565753545.db2.gz XEZBRJVJIAPWBG-UHFFFAOYSA-N -1 3 399.241 3.192 20 0 GGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000193502550 565755850 /nfs/dbraw/zinc/75/58/50/565755850.db2.gz LUPIXCJDCMALGV-GFCCVEGCSA-N -1 3 382.482 3.458 20 0 GGADHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000281997911 565759392 /nfs/dbraw/zinc/75/93/92/565759392.db2.gz ODXMXENAOHHOAC-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM C[C@@H](N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1(C)CC1 ZINC000176253440 565760148 /nfs/dbraw/zinc/76/01/48/565760148.db2.gz OSDCSLZNAUCGQG-LLVKDONJSA-N -1 3 393.336 3.309 20 0 GGADHM CN(C(=O)CSc1n[n-]c(=S)s1)C1CCN(Cc2ccccc2)CC1 ZINC000176305321 565763668 /nfs/dbraw/zinc/76/36/68/565763668.db2.gz IFYOFBJOQUMCHP-UHFFFAOYSA-N -1 3 394.591 3.416 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000176318085 565764149 /nfs/dbraw/zinc/76/41/49/565764149.db2.gz RYIKGSAHEYGLQQ-ZDUSSCGKSA-N -1 3 380.564 3.074 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(Br)cs2)CC1 ZINC000176311672 565764388 /nfs/dbraw/zinc/76/43/88/565764388.db2.gz MDAKURJHDACRKI-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C)c(C)o1 ZINC000176377420 565768159 /nfs/dbraw/zinc/76/81/59/565768159.db2.gz GWHFEPOSKWMWSH-UHFFFAOYSA-N -1 3 376.356 3.076 20 0 GGADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000193717952 565771117 /nfs/dbraw/zinc/77/11/17/565771117.db2.gz HSSSOOJXUVTKEK-UHFFFAOYSA-N -1 3 394.758 3.341 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)c2cccc(CN3CCCCC3)c2)c1Br ZINC000412169524 565774091 /nfs/dbraw/zinc/77/40/91/565774091.db2.gz YGMLGQJBDKMAGW-UHFFFAOYSA-N -1 3 391.313 3.395 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1ccc(F)cc1Br ZINC000193791791 565776056 /nfs/dbraw/zinc/77/60/56/565776056.db2.gz LWPDZTPVAUSLPJ-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC(=O)c1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)cc1[O-] ZINC000412281479 565778330 /nfs/dbraw/zinc/77/83/30/565778330.db2.gz FNGZFYQOWJVXQV-UHFFFAOYSA-N -1 3 398.278 3.054 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)cc1Cl ZINC000282442591 565779766 /nfs/dbraw/zinc/77/97/66/565779766.db2.gz GOCDLFAKSUOAON-ZDUSSCGKSA-N -1 3 390.292 3.091 20 0 GGADHM O=C(c1cc(Br)c(F)cc1[O-])N1CCCN(CC2CCC2)CC1 ZINC000412310003 565780399 /nfs/dbraw/zinc/78/03/99/565780399.db2.gz CTGTWLVKGQKPKM-UHFFFAOYSA-N -1 3 385.277 3.242 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)C1(c2ccc(Br)cc2)CCC1 ZINC000412338983 565782152 /nfs/dbraw/zinc/78/21/52/565782152.db2.gz BNLWIXKISJETFC-UHFFFAOYSA-N -1 3 399.086 3.417 20 0 GGADHM COc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Br ZINC000176536913 565782524 /nfs/dbraw/zinc/78/25/24/565782524.db2.gz YNPBUIMPOWLCOK-UHFFFAOYSA-N -1 3 394.269 3.399 20 0 GGADHM Cc1ccc(C(=O)N=c2[nH][n-]cc2Br)cc1NC(=O)NC(C)(C)C ZINC000412346518 565782687 /nfs/dbraw/zinc/78/26/87/565782687.db2.gz MIUYEBZZGQYMCW-UHFFFAOYSA-N -1 3 394.273 3.075 20 0 GGADHM CN(C)c1nc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)cc(=O)[n-]1 ZINC000331769748 565782823 /nfs/dbraw/zinc/78/28/23/565782823.db2.gz BWQHDRUHPVXOOP-JTQLQIEISA-N -1 3 397.298 3.050 20 0 GGADHM COc1ccc(C(=O)N=c2[nH][n-]cc2Br)c(OC2CCCC2)c1 ZINC000412345714 565782923 /nfs/dbraw/zinc/78/29/23/565782923.db2.gz ZQWHVDFFDWJRGG-UHFFFAOYSA-N -1 3 380.242 3.176 20 0 GGADHM COc1ccc(C(=O)N=c2[nH][n-]cc2Br)c(OCCC(C)C)c1 ZINC000412344009 565783101 /nfs/dbraw/zinc/78/31/01/565783101.db2.gz WURINXQVHFEVOZ-UHFFFAOYSA-N -1 3 382.258 3.280 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3ccc(Cl)nc3Cl)CC2)[n-]1 ZINC000282532884 565783623 /nfs/dbraw/zinc/78/36/23/565783623.db2.gz QOXLTTMJANATSA-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3ccc(Cl)nc3Cl)CC2)n[n-]1 ZINC000282532884 565783629 /nfs/dbraw/zinc/78/36/29/565783629.db2.gz QOXLTTMJANATSA-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1n[n-]c(C2CCN(Cc3ccc(Cl)nc3Cl)CC2)n1 ZINC000282532884 565783635 /nfs/dbraw/zinc/78/36/35/565783635.db2.gz QOXLTTMJANATSA-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000193939283 565784887 /nfs/dbraw/zinc/78/48/87/565784887.db2.gz BGUPYFBSXYXNJN-UHFFFAOYSA-N -1 3 390.933 3.027 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1ccc(Br)c(Cl)c1 ZINC000193969150 565785920 /nfs/dbraw/zinc/78/59/20/565785920.db2.gz VAAJIROXTYHMHU-UHFFFAOYSA-N -1 3 378.622 3.010 20 0 GGADHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000331882354 565789531 /nfs/dbraw/zinc/78/95/31/565789531.db2.gz VDWJIBZMJJWNSD-SNVBAGLBSA-N -1 3 378.256 3.222 20 0 GGADHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000331882332 565789755 /nfs/dbraw/zinc/78/97/55/565789755.db2.gz VDWJIBZMJJWNSD-JTQLQIEISA-N -1 3 378.256 3.222 20 0 GGADHM CCOc1cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)cc(Br)c1[O-] ZINC000331909641 565791274 /nfs/dbraw/zinc/79/12/74/565791274.db2.gz INBZXCJIPDXXHR-HIFRSBDPSA-N -1 3 398.297 3.123 20 0 GGADHM O=C(CNC(=O)c1ccc(Br)cc1)Nc1cc(Cl)ccc1[O-] ZINC000194069679 565792726 /nfs/dbraw/zinc/79/27/26/565792726.db2.gz GSCLGAGPRMEADA-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM COc1csc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)c1 ZINC000176687681 565794124 /nfs/dbraw/zinc/79/41/24/565794124.db2.gz UURXOKYTLYOXCL-UHFFFAOYSA-N -1 3 393.266 3.411 20 0 GGADHM COc1csc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)c1 ZINC000176687659 565794274 /nfs/dbraw/zinc/79/42/74/565794274.db2.gz BSSKPQMMZHUMIG-UHFFFAOYSA-N -1 3 393.266 3.411 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1Br ZINC000282778939 565796029 /nfs/dbraw/zinc/79/60/29/565796029.db2.gz XZYDZAZKPLDYSD-DGCLKSJQSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1csc([C@H]2CCCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000331975514 565797057 /nfs/dbraw/zinc/79/70/57/565797057.db2.gz XEQOMFKNVQGLNU-OAHLLOKOSA-N -1 3 379.507 3.190 20 0 GGADHM CCOc1cc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc(Br)c1[O-] ZINC000331975665 565797353 /nfs/dbraw/zinc/79/73/53/565797353.db2.gz XGXHTRNJMOQIEB-ZFWWWQNUSA-N -1 3 397.313 3.044 20 0 GGADHM CCOc1cc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc(Br)c1[O-] ZINC000331975659 565797651 /nfs/dbraw/zinc/79/76/51/565797651.db2.gz XGXHTRNJMOQIEB-HIFRSBDPSA-N -1 3 397.313 3.044 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000176725337 565798115 /nfs/dbraw/zinc/79/81/15/565798115.db2.gz QCRPLAZBZHQCGK-UHFFFAOYSA-N -1 3 377.796 3.448 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c(Cl)c1Cl ZINC000282805372 565798173 /nfs/dbraw/zinc/79/81/73/565798173.db2.gz RWMNWVHMCMCNIY-NSHDSACASA-N -1 3 390.292 3.091 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(F)cc(Br)c1 ZINC000176728067 565798511 /nfs/dbraw/zinc/79/85/11/565798511.db2.gz ZFHKCEBEYMTXOK-UHFFFAOYSA-N -1 3 387.230 3.059 20 0 GGADHM Cc1ccc(Br)c(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000412634102 565801560 /nfs/dbraw/zinc/80/15/60/565801560.db2.gz AQRFORLNZMZODG-UHFFFAOYSA-N -1 3 378.270 3.119 20 0 GGADHM CCOc1cc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc(Cl)c1[O-] ZINC000332074276 565804298 /nfs/dbraw/zinc/80/42/98/565804298.db2.gz FASMGZHNOZBFOC-HOCLYGCPSA-N -1 3 384.929 3.096 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2cc3sc(N(C)C)nc3s2)nc1C ZINC000194276488 565805856 /nfs/dbraw/zinc/80/58/56/565805856.db2.gz XZEGDWDTABMTFV-UHFFFAOYSA-N -1 3 382.492 3.228 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)s1 ZINC000176841660 565807034 /nfs/dbraw/zinc/80/70/34/565807034.db2.gz IMTFOGZLAFOHAJ-UHFFFAOYSA-N -1 3 380.413 3.180 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]Cc2nccs2)cc1Cl ZINC000176836099 565807268 /nfs/dbraw/zinc/80/72/68/565807268.db2.gz XTPDNYMALNYLBL-UHFFFAOYSA-N -1 3 397.703 3.046 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)NCc1ccco1 ZINC000176847371 565808276 /nfs/dbraw/zinc/80/82/76/565808276.db2.gz JOOMZHGAFHQSEA-SNVBAGLBSA-N -1 3 398.893 3.131 20 0 GGADHM CSc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000176870046 565810529 /nfs/dbraw/zinc/81/05/29/565810529.db2.gz AEPKGAUOVHOMAP-VIFPVBQESA-N -1 3 390.939 3.429 20 0 GGADHM C[C@]1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCO1 ZINC000332152383 565810738 /nfs/dbraw/zinc/81/07/38/565810738.db2.gz SPMWYHCEROQCRI-MRXNPFEDSA-N -1 3 399.672 3.243 20 0 GGADHM C[C@]1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCCO1 ZINC000332152383 565810746 /nfs/dbraw/zinc/81/07/46/565810746.db2.gz SPMWYHCEROQCRI-MRXNPFEDSA-N -1 3 399.672 3.243 20 0 GGADHM CSc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000176869806 565810790 /nfs/dbraw/zinc/81/07/90/565810790.db2.gz WJCZQQZJGDEVNL-UHFFFAOYSA-N -1 3 390.939 3.431 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccc(Cl)s1 ZINC000332167107 565811817 /nfs/dbraw/zinc/81/18/17/565811817.db2.gz PPBJULYODKESIW-QMMMGPOBSA-N -1 3 399.847 3.158 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)sc2C1 ZINC000332173814 565813081 /nfs/dbraw/zinc/81/30/81/565813081.db2.gz CKSVVZDDLUGUHL-SECBINFHSA-N -1 3 383.470 3.031 20 0 GGADHM Cn1[n-]c(=NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc1OC(F)F ZINC000332187493 565813839 /nfs/dbraw/zinc/81/38/39/565813839.db2.gz ULMHRGHSEZZWQH-UHFFFAOYSA-N -1 3 391.205 3.340 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccs1)Oc1ccccc1Br ZINC000176927296 565814795 /nfs/dbraw/zinc/81/47/95/565814795.db2.gz SQZRHUZGNPIFIR-SNVBAGLBSA-N -1 3 376.297 3.256 20 0 GGADHM CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc3cc(Cl)ccc3s1)CC2 ZINC000176924178 565815073 /nfs/dbraw/zinc/81/50/73/565815073.db2.gz UHYHVJGAYAHKTL-LBPRGKRZSA-N -1 3 396.925 3.002 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCN(C)[C@@H]2c2cccs2)s1 ZINC000176937161 565815857 /nfs/dbraw/zinc/81/58/57/565815857.db2.gz OZUNUIXIELRELO-HIFRSBDPSA-N -1 3 385.580 3.183 20 0 GGADHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000176932433 565816458 /nfs/dbraw/zinc/81/64/58/565816458.db2.gz XEIISIOJBFNHEQ-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000176947548 565816888 /nfs/dbraw/zinc/81/68/88/565816888.db2.gz KHLQECJNJZWJOI-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM CO[C@@H](C)c1nc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cs1 ZINC000176949486 565817413 /nfs/dbraw/zinc/81/74/13/565817413.db2.gz DZZGYBNTFQBNMA-NSHDSACASA-N -1 3 384.527 3.065 20 0 GGADHM CO[C@@H](C)c1nc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cs1 ZINC000176949486 565817422 /nfs/dbraw/zinc/81/74/22/565817422.db2.gz DZZGYBNTFQBNMA-NSHDSACASA-N -1 3 384.527 3.065 20 0 GGADHM O=c1[n-]nc(SCCOc2cc(Cl)ccc2Cl)n1C[C@H]1CCCO1 ZINC000194535016 565820964 /nfs/dbraw/zinc/82/09/64/565820964.db2.gz WACDQUUHETWSOO-LLVKDONJSA-N -1 3 390.292 3.228 20 0 GGADHM O=C(C[C@H]1CCCCO1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000332249620 565821472 /nfs/dbraw/zinc/82/14/72/565821472.db2.gz CBFFKCXQJDJBAS-SNVBAGLBSA-N -1 3 383.221 3.271 20 0 GGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C1CCOCC1 ZINC000332254745 565822645 /nfs/dbraw/zinc/82/26/45/565822645.db2.gz DHHOWWNFZWBCEG-SECBINFHSA-N -1 3 397.248 3.375 20 0 GGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194611079 565826360 /nfs/dbraw/zinc/82/63/60/565826360.db2.gz WKEAXJZFCJPMAY-SECBINFHSA-N -1 3 375.315 3.228 20 0 GGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000177082321 565827465 /nfs/dbraw/zinc/82/74/65/565827465.db2.gz LJQXMAGJTFVYLJ-NWDGAFQWSA-N -1 3 384.548 3.159 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000194647388 565828917 /nfs/dbraw/zinc/82/89/17/565828917.db2.gz NTMARGNWORCIAK-UHFFFAOYSA-N -1 3 380.853 3.045 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCCC[C@@H]1c1ccccc1 ZINC000194692309 565831175 /nfs/dbraw/zinc/83/11/75/565831175.db2.gz JHOWXQZBVZWKCE-MRXNPFEDSA-N -1 3 378.519 3.170 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2sccc2Br)CC1 ZINC000177180341 565832987 /nfs/dbraw/zinc/83/29/87/565832987.db2.gz VUAGBQLIWHBGDQ-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM O=S(=O)([N-]Cc1ccncc1)c1cc(C(F)(F)F)ccc1Br ZINC000194760192 565834836 /nfs/dbraw/zinc/83/48/36/565834836.db2.gz IHMRYVHRNARISA-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM COC(C)(C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194787223 565837108 /nfs/dbraw/zinc/83/71/08/565837108.db2.gz YOTKMIRJXNNTJP-UHFFFAOYSA-N -1 3 390.221 3.171 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000332451966 565838017 /nfs/dbraw/zinc/83/80/17/565838017.db2.gz HKTWWOKDCSROSV-LLVKDONJSA-N -1 3 394.306 3.055 20 0 GGADHM Cc1c(Cl)cccc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000194810688 565840119 /nfs/dbraw/zinc/84/01/19/565840119.db2.gz BGQNVDSQYGJLQE-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCC1 ZINC000332495476 565840188 /nfs/dbraw/zinc/84/01/88/565840188.db2.gz UVRYGQSWGOYJPK-NSHDSACASA-N -1 3 394.306 3.055 20 0 GGADHM NC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000332501233 565841676 /nfs/dbraw/zinc/84/16/76/565841676.db2.gz ZJSZIGPGNRNEEH-UHFFFAOYSA-N -1 3 381.679 3.229 20 0 GGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@H](C(N)=O)C1 ZINC000332536739 565842751 /nfs/dbraw/zinc/84/27/51/565842751.db2.gz YTBCLCWXWUWNSS-XPTSAGLGSA-N -1 3 392.253 3.067 20 0 GGADHM C[C@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2[O-])[C@H](C(N)=O)C1 ZINC000332536739 565842754 /nfs/dbraw/zinc/84/27/54/565842754.db2.gz YTBCLCWXWUWNSS-XPTSAGLGSA-N -1 3 392.253 3.067 20 0 GGADHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332524491 565842981 /nfs/dbraw/zinc/84/29/81/565842981.db2.gz RFXCSTMTQURLCT-UWVGGRQHSA-N -1 3 392.253 3.067 20 0 GGADHM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332535626 565843103 /nfs/dbraw/zinc/84/31/03/565843103.db2.gz VAJANPFJDCBDCD-YPMHNXCESA-N -1 3 393.281 3.056 20 0 GGADHM CCc1nc2cc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)ccc2o1 ZINC000194866523 565843269 /nfs/dbraw/zinc/84/32/69/565843269.db2.gz YXONCPBQXCHWFM-UHFFFAOYSA-N -1 3 399.881 3.022 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000194938078 565849142 /nfs/dbraw/zinc/84/91/42/565849142.db2.gz OLHAXLODMAYUHV-UHFFFAOYSA-N -1 3 380.853 3.424 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC(CCC(C)C)CC2)s1 ZINC000177424666 565850621 /nfs/dbraw/zinc/85/06/21/565850621.db2.gz QNUVTCIPJGMNLP-UHFFFAOYSA-N -1 3 387.571 3.014 20 0 GGADHM O=S(=O)(CCC(F)(F)F)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000284390554 565851163 /nfs/dbraw/zinc/85/11/63/565851163.db2.gz SLQTYINTANKYRP-VXGBXAGGSA-N -1 3 375.771 3.181 20 0 GGADHM CC(=O)N1CCC[C@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)C1 ZINC000332659638 565851256 /nfs/dbraw/zinc/85/12/56/565851256.db2.gz NTOQYUZTBXRJAC-NSHDSACASA-N -1 3 381.263 3.002 20 0 GGADHM O=S(=O)(CCC(F)(F)F)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000284390551 565851675 /nfs/dbraw/zinc/85/16/75/565851675.db2.gz SLQTYINTANKYRP-NWDGAFQWSA-N -1 3 375.771 3.181 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)CSc2n[n-]c(=S)s2)CCN1Cc1ccccc1 ZINC000177476325 565853681 /nfs/dbraw/zinc/85/36/81/565853681.db2.gz VDSOCXDVTRISAO-TZMCWYRMSA-N -1 3 394.591 3.462 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nnc2n1CCCCC2 ZINC000284481317 565854764 /nfs/dbraw/zinc/85/47/64/565854764.db2.gz ZCAKTBYXOZNTKG-CYBMUJFWSA-N -1 3 386.880 3.227 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1ccc(Br)s1 ZINC000177497508 565855199 /nfs/dbraw/zinc/85/51/99/565855199.db2.gz MKUNZENPRFSHTP-UHFFFAOYSA-N -1 3 382.326 3.102 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1F ZINC000177502307 565856500 /nfs/dbraw/zinc/85/65/00/565856500.db2.gz NSNPWZBDVAOJNE-UHFFFAOYSA-N -1 3 380.294 3.006 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(F)ccc1Br ZINC000177537091 565857655 /nfs/dbraw/zinc/85/76/55/565857655.db2.gz VUIDPZBLLLSHQD-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM O=C(NC[C@H]1CCCOC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000333013114 565861196 /nfs/dbraw/zinc/86/11/96/565861196.db2.gz YQZJGBKWMAVMKD-SECBINFHSA-N -1 3 399.672 3.100 20 0 GGADHM O=C(NC[C@H]1CCCOC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000333013114 565861202 /nfs/dbraw/zinc/86/12/02/565861202.db2.gz YQZJGBKWMAVMKD-SECBINFHSA-N -1 3 399.672 3.100 20 0 GGADHM O=C(NC[C@@H]1CCCOC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000333013120 565861271 /nfs/dbraw/zinc/86/12/71/565861271.db2.gz YQZJGBKWMAVMKD-VIFPVBQESA-N -1 3 399.672 3.100 20 0 GGADHM O=C(NC[C@@H]1CCCOC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000333013120 565861274 /nfs/dbraw/zinc/86/12/74/565861274.db2.gz YQZJGBKWMAVMKD-VIFPVBQESA-N -1 3 399.672 3.100 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000333021263 565861544 /nfs/dbraw/zinc/86/15/44/565861544.db2.gz JBNTXNFPMISVOL-AWEZNQCLSA-N -1 3 385.580 3.012 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)s1 ZINC000333026746 565861593 /nfs/dbraw/zinc/86/15/93/565861593.db2.gz KYKXNOIHUMORSQ-UHFFFAOYSA-N -1 3 394.356 3.040 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)c(Cl)cc1F ZINC000177589187 565862271 /nfs/dbraw/zinc/86/22/71/565862271.db2.gz PCTPJJHLDQTRBN-UHFFFAOYSA-N -1 3 389.807 3.272 20 0 GGADHM CC(C)c1ccoc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000284638307 565862716 /nfs/dbraw/zinc/86/27/16/565862716.db2.gz WRKJONYWDDEYMU-UHFFFAOYSA-N -1 3 382.507 3.048 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)o1 ZINC000177608260 565863170 /nfs/dbraw/zinc/86/31/70/565863170.db2.gz LWLJHDSOFQPMGD-UHFFFAOYSA-N -1 3 396.774 3.421 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])C1CN(C(=O)C2CCCCC2)C1 ZINC000333063913 565863675 /nfs/dbraw/zinc/86/36/75/565863675.db2.gz DTJVDTPTQXDBQM-UHFFFAOYSA-N -1 3 381.270 3.132 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[n-]1 ZINC000195173515 565863860 /nfs/dbraw/zinc/86/38/60/565863860.db2.gz PVMDATYKUOIQOH-UHFFFAOYSA-N -1 3 388.280 3.031 20 0 GGADHM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000195173515 565863865 /nfs/dbraw/zinc/86/38/65/565863865.db2.gz PVMDATYKUOIQOH-UHFFFAOYSA-N -1 3 388.280 3.031 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000177639234 565864328 /nfs/dbraw/zinc/86/43/28/565864328.db2.gz SCLWQDXVXPXFFA-QMMMGPOBSA-N -1 3 391.276 3.294 20 0 GGADHM C[C@@]1(c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000177645350 565864458 /nfs/dbraw/zinc/86/44/58/565864458.db2.gz VWGPLFDQUNAEHC-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@]1(c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000177645364 565864526 /nfs/dbraw/zinc/86/45/26/565864526.db2.gz VWGPLFDQUNAEHC-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2C(C)C)s1 ZINC000333079752 565864781 /nfs/dbraw/zinc/86/47/81/565864781.db2.gz WVFRCQCCMHATLE-ZYHUDNBSSA-N -1 3 382.345 3.158 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCN(C)[C@H]2c2cccs2)sc1C ZINC000333107713 565866095 /nfs/dbraw/zinc/86/60/95/565866095.db2.gz DVHQWCOZEHMQNC-DZGCQCFKSA-N -1 3 385.580 3.183 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CCC[C@H](C(F)(F)F)C3)cn21 ZINC000333144493 565867858 /nfs/dbraw/zinc/86/78/58/565867858.db2.gz JWYFXRZIMLTSCZ-UPJWGTAASA-N -1 3 379.448 3.427 20 0 GGADHM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1cc(Cl)ccc1Cl ZINC000195240886 565868401 /nfs/dbraw/zinc/86/84/01/565868401.db2.gz NSQUOEPUNLHEMT-UHFFFAOYSA-N -1 3 391.242 3.298 20 0 GGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCOc4c(Cl)cccc43)cn21 ZINC000333174493 565869354 /nfs/dbraw/zinc/86/93/54/565869354.db2.gz OJHPKIHJKMLJSO-FZMZJTMJSA-N -1 3 381.885 3.236 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C1CCC1)c1cnn2c1OCCC2 ZINC000333197368 565871095 /nfs/dbraw/zinc/87/10/95/565871095.db2.gz ULBOKKUWRZSBRF-MRXNPFEDSA-N -1 3 381.885 3.139 20 0 GGADHM CCc1cnc(S(=O)(=O)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000177738651 565871198 /nfs/dbraw/zinc/87/11/98/565871198.db2.gz GLDMNLYIEFQCRS-UHFFFAOYSA-N -1 3 395.790 3.057 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000177738651 565871202 /nfs/dbraw/zinc/87/12/02/565871202.db2.gz GLDMNLYIEFQCRS-UHFFFAOYSA-N -1 3 395.790 3.057 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)c1nnc(Cc2ccccc2)[n-]1 ZINC000195287884 565873345 /nfs/dbraw/zinc/87/33/45/565873345.db2.gz VMZHYOOZUHQVHI-UHFFFAOYSA-N -1 3 377.853 3.031 20 0 GGADHM O=S(=O)(Cc1ccc(Br)s1)c1nnc(Cc2ccccc2)[n-]1 ZINC000195289601 565873919 /nfs/dbraw/zinc/87/39/19/565873919.db2.gz STTPTMORSSXVAU-UHFFFAOYSA-N -1 3 398.307 3.193 20 0 GGADHM C[C@]12CCCN1C[C@H](c1noc(-c3ccc(Br)cc3[O-])n1)OC2 ZINC000333277993 565874691 /nfs/dbraw/zinc/87/46/91/565874691.db2.gz OXGCZEAGTBZAEK-CZUORRHYSA-N -1 3 380.242 3.131 20 0 GGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000284914537 565876295 /nfs/dbraw/zinc/87/62/95/565876295.db2.gz HANNFZLEOSHQPT-HOCLYGCPSA-N -1 3 387.864 3.065 20 0 GGADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3c(C)cnn3C)nc(=O)c2c1C ZINC000284918700 565878362 /nfs/dbraw/zinc/87/83/62/565878362.db2.gz BNXRDECUJLXDQY-UITAMQMPSA-N -1 3 378.841 3.271 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)CCc2cccs2)CCCN1c1ccccc1Cl ZINC000195384411 565879558 /nfs/dbraw/zinc/87/95/58/565879558.db2.gz WWGDAIKIHSDJLA-OAHLLOKOSA-N -1 3 398.937 3.059 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(C(F)(F)F)cc1F ZINC000333370667 565879758 /nfs/dbraw/zinc/87/97/58/565879758.db2.gz WDMRRLNKMDMRNZ-HONMWMINSA-N -1 3 379.375 3.080 20 0 GGADHM Cc1nc([C@@H]([N-]S(=O)(=O)CCc2cccs2)c2ccc(Cl)cc2)no1 ZINC000195403766 565880031 /nfs/dbraw/zinc/88/00/31/565880031.db2.gz PTPUYMHZQUDGHH-HNNXBMFYSA-N -1 3 397.909 3.344 20 0 GGADHM C[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1nc(C(C)(C)C)no1 ZINC000333401142 565880646 /nfs/dbraw/zinc/88/06/46/565880646.db2.gz IQIPITXWHHLJIQ-WHXUTIOJSA-N -1 3 383.436 3.469 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3cccc(Br)c3)C2)n1 ZINC000177920518 565880989 /nfs/dbraw/zinc/88/09/89/565880989.db2.gz GWPLZHCOAREMHY-DOMZBBRYSA-N -1 3 378.270 3.388 20 0 GGADHM O=C(CN[C@H](c1cncc(Br)c1)C1CC1)[N-]OCc1ccccc1 ZINC000284992829 565881809 /nfs/dbraw/zinc/88/18/09/565881809.db2.gz YLDXQAAUYKWQEL-SFHVURJKSA-N -1 3 390.281 3.133 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000333440870 565882280 /nfs/dbraw/zinc/88/22/80/565882280.db2.gz PPVQAISWWSFICY-LBPRGKRZSA-N -1 3 375.441 3.071 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000195427038 565882315 /nfs/dbraw/zinc/88/23/15/565882315.db2.gz LKHABMAZRXQYDK-UHFFFAOYSA-N -1 3 384.251 3.461 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000195427019 565882344 /nfs/dbraw/zinc/88/23/44/565882344.db2.gz UUWZSXSNNSGVPC-UHFFFAOYSA-N -1 3 399.266 3.217 20 0 GGADHM NC(=O)C1([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)C2CC3CC(C2)CC1C3 ZINC000333450055 565882514 /nfs/dbraw/zinc/88/25/14/565882514.db2.gz XKPACLYGWYYMKF-SGHBJWCJSA-N -1 3 376.469 3.071 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(Br)c1 ZINC000195439049 565883740 /nfs/dbraw/zinc/88/37/40/565883740.db2.gz XLKYWCLBYYZXDS-UHFFFAOYSA-N -1 3 384.251 3.330 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc2ccccc2c1F ZINC000333469094 565883920 /nfs/dbraw/zinc/88/39/20/565883920.db2.gz VYKHOIORVDIXRW-RDTXWAMCSA-N -1 3 381.494 3.312 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000333463367 565884060 /nfs/dbraw/zinc/88/40/60/565884060.db2.gz PZWSLYYSJGZTIF-GUYCJALGSA-N -1 3 379.551 3.091 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000285045554 565884432 /nfs/dbraw/zinc/88/44/32/565884432.db2.gz CJIFVHPMRVQCLD-UHFFFAOYSA-N -1 3 398.834 3.084 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285059097 565885505 /nfs/dbraw/zinc/88/55/05/565885505.db2.gz DHMNZLYRDMVBLK-UHFFFAOYSA-N -1 3 382.791 3.485 20 0 GGADHM CCN(CC(C)C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000195474551 565887118 /nfs/dbraw/zinc/88/71/18/565887118.db2.gz YEPMKGMLWMKTCN-UHFFFAOYSA-N -1 3 386.564 3.406 20 0 GGADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c1 ZINC000285095815 565888037 /nfs/dbraw/zinc/88/80/37/565888037.db2.gz NBTCGGQVXJXTMC-UHFFFAOYSA-N -1 3 384.841 3.030 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cc(F)ccc1Br ZINC000333636064 565890399 /nfs/dbraw/zinc/89/03/99/565890399.db2.gz BDVBAAOQLMXNGG-NSHDSACASA-N -1 3 392.290 3.216 20 0 GGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000285145815 565890500 /nfs/dbraw/zinc/89/05/00/565890500.db2.gz SKSKFXMCNIZLED-BBRMVZONSA-N -1 3 387.864 3.065 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cccc(Br)c1F ZINC000333699333 565893330 /nfs/dbraw/zinc/89/33/30/565893330.db2.gz NRYLWJNLOHIRQI-NSHDSACASA-N -1 3 392.290 3.216 20 0 GGADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Br ZINC000285246642 565897332 /nfs/dbraw/zinc/89/73/32/565897332.db2.gz ZZAILWXUNVANHT-UHFFFAOYSA-N -1 3 398.204 3.311 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc2c1OCCO2 ZINC000178138417 565900053 /nfs/dbraw/zinc/90/00/53/565900053.db2.gz IYDKOPVHSCQTEL-UHFFFAOYSA-N -1 3 379.210 3.248 20 0 GGADHM O=C(CNCc1cc([O-])ccc1Br)N1CCCc2ccccc21 ZINC000178162264 565903322 /nfs/dbraw/zinc/90/33/22/565903322.db2.gz HBEDNQXBOIOFTC-UHFFFAOYSA-N -1 3 375.266 3.224 20 0 GGADHM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1 ZINC000285389254 565904570 /nfs/dbraw/zinc/90/45/70/565904570.db2.gz YLVWDJFAKHURRE-UHFFFAOYSA-N -1 3 384.841 3.151 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000285429182 565907114 /nfs/dbraw/zinc/90/71/14/565907114.db2.gz KLCJEXSRVUSPAM-UHFFFAOYSA-N -1 3 391.262 3.407 20 0 GGADHM Cc1ccc(-c2cc(=NC(=O)C3CCN([C@H]4CCSC4)CC3)[nH][n-]2)s1 ZINC000334057455 565909709 /nfs/dbraw/zinc/90/97/09/565909709.db2.gz WGHRLLTUEUFXNF-AWEZNQCLSA-N -1 3 376.551 3.025 20 0 GGADHM Cc1ccc(-c2cc(=NC(=O)C3CCN([C@@H]4CCSC4)CC3)[nH][n-]2)s1 ZINC000334057456 565910085 /nfs/dbraw/zinc/91/00/85/565910085.db2.gz WGHRLLTUEUFXNF-CQSZACIVSA-N -1 3 376.551 3.025 20 0 GGADHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1cc(C(F)(F)F)ccc1Cl ZINC000178403739 565917158 /nfs/dbraw/zinc/91/71/58/565917158.db2.gz DVUJKUMJCXEQFV-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)CC1 ZINC000414379254 565919819 /nfs/dbraw/zinc/91/98/19/565919819.db2.gz HYQNGJJFVVKOJR-UHFFFAOYSA-N -1 3 380.491 3.401 20 0 GGADHM Cc1ccc(OCCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178447966 565919963 /nfs/dbraw/zinc/91/99/63/565919963.db2.gz VSKZEADFQYZDCE-UHFFFAOYSA-N -1 3 379.254 3.341 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)CC1 ZINC000414386750 565920489 /nfs/dbraw/zinc/92/04/89/565920489.db2.gz UTHHJGUYBLBIEQ-UHFFFAOYSA-N -1 3 390.433 3.461 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1F ZINC000414388379 565920978 /nfs/dbraw/zinc/92/09/78/565920978.db2.gz LQSWINTWWJUNIF-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000178496334 565921490 /nfs/dbraw/zinc/92/14/90/565921490.db2.gz ICNQLJSNGQMSGJ-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2sccc2Cl)cc1F ZINC000414389005 565921771 /nfs/dbraw/zinc/92/17/71/565921771.db2.gz OCCMYDPCPGKLEU-UHFFFAOYSA-N -1 3 378.878 3.282 20 0 GGADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000178495737 565921847 /nfs/dbraw/zinc/92/18/47/565921847.db2.gz XUTHMQWYVSMFNC-UHFFFAOYSA-N -1 3 383.217 3.302 20 0 GGADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(C)c2)c1 ZINC000414388543 565922079 /nfs/dbraw/zinc/92/20/79/565922079.db2.gz MFISIPIWRHDBAL-UHFFFAOYSA-N -1 3 380.535 3.458 20 0 GGADHM O=C(NCCOc1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000178500996 565922026 /nfs/dbraw/zinc/92/20/26/565922026.db2.gz DZTXVBYWFJHRBZ-UHFFFAOYSA-N -1 3 383.217 3.172 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)c1 ZINC000227402206 565922940 /nfs/dbraw/zinc/92/29/40/565922940.db2.gz LUCOXJAJBUEKFH-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(C)cc1SC)c1ccccc1 ZINC000414394494 565923149 /nfs/dbraw/zinc/92/31/49/565923149.db2.gz KLDWRHNSAXTWCA-HNNXBMFYSA-N -1 3 379.503 3.415 20 0 GGADHM CS[C@H](CO)[C@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000228327934 565925124 /nfs/dbraw/zinc/92/51/24/565925124.db2.gz VOGTVUFYMJSKPZ-WRWORJQWSA-N -1 3 399.148 3.119 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000178551700 565925300 /nfs/dbraw/zinc/92/53/00/565925300.db2.gz YCWYXVNDKVVFHP-UHFFFAOYSA-N -1 3 383.629 3.063 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1Cl ZINC000178547827 565925662 /nfs/dbraw/zinc/92/56/62/565925662.db2.gz SDLUIOQPCPJEHW-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000178547839 565925729 /nfs/dbraw/zinc/92/57/29/565925729.db2.gz SDLUIOQPCPJEHW-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM Cc1cccc(Cl)c1CS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000414413976 565926465 /nfs/dbraw/zinc/92/64/65/565926465.db2.gz LAQBXHYFWLTEMR-UHFFFAOYSA-N -1 3 380.775 3.278 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC000230585655 565927986 /nfs/dbraw/zinc/92/79/86/565927986.db2.gz AFKPAAZROIHVRY-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000178593223 565928617 /nfs/dbraw/zinc/92/86/17/565928617.db2.gz YFKAUNQAWPRWTO-UHFFFAOYSA-N -1 3 386.470 3.085 20 0 GGADHM Cc1nc(C)c(Cc2nc(-c3cc(Br)ccc3F)no2)c(=O)[n-]1 ZINC000349721938 565929172 /nfs/dbraw/zinc/92/91/72/565929172.db2.gz CDEMIEXNYQRKEW-UHFFFAOYSA-N -1 3 379.189 3.341 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1ccc(Br)c(F)c1 ZINC000230609241 565929972 /nfs/dbraw/zinc/92/99/72/565929972.db2.gz KDFUAXCUKWGTMF-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1)c1ccc(Br)c(F)c1 ZINC000230591125 565930008 /nfs/dbraw/zinc/93/00/08/565930008.db2.gz SPWZYCRMVGLXBX-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM CC(C)=CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000232622750 565931948 /nfs/dbraw/zinc/93/19/48/565931948.db2.gz XBLVNJGYHWLCCV-UHFFFAOYSA-N -1 3 383.105 3.456 20 0 GGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232500036 565932244 /nfs/dbraw/zinc/93/22/44/565932244.db2.gz JSKRYZWWVMXJBE-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232535574 565932735 /nfs/dbraw/zinc/93/27/35/565932735.db2.gz XQUUOUZZZGBGHZ-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)OC ZINC000233397559 565933327 /nfs/dbraw/zinc/93/33/27/565933327.db2.gz RZFQXCVJXJTNRE-ZDUSSCGKSA-N -1 3 398.706 3.113 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCOCC1 ZINC000232993916 565933594 /nfs/dbraw/zinc/93/35/94/565933594.db2.gz ZBSWWBSQROAUPA-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(CO)c3)s2)cs1 ZINC000178690158 565933968 /nfs/dbraw/zinc/93/39/68/565933968.db2.gz JRJPOMCILLVMGL-UHFFFAOYSA-N -1 3 380.516 3.151 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)CCC2CCCC2)cc1OC ZINC000414448981 565934551 /nfs/dbraw/zinc/93/45/51/565934551.db2.gz ASQSQYNOHCPZKY-UHFFFAOYSA-N -1 3 375.874 3.457 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCn1cnnc1C(C)C ZINC000414453319 565935983 /nfs/dbraw/zinc/93/59/83/565935983.db2.gz BFXSOKQKYVUXJT-UHFFFAOYSA-N -1 3 382.873 3.088 20 0 GGADHM Cc1cccc2nc(CNC(=O)NCc3ccc([O-])c(Br)c3)cn21 ZINC000178775810 565936864 /nfs/dbraw/zinc/93/68/64/565936864.db2.gz AMNPOLGTUGGJDN-UHFFFAOYSA-N -1 3 389.253 3.110 20 0 GGADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(Br)c(C)cc1Cl ZINC000414465130 565937193 /nfs/dbraw/zinc/93/71/93/565937193.db2.gz PKJWZSFZHSDLNE-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)c(C)c1 ZINC000414465342 565937287 /nfs/dbraw/zinc/93/72/87/565937287.db2.gz QNQSDQSAQGWTEU-UHFFFAOYSA-N -1 3 382.507 3.014 20 0 GGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000414460038 565937478 /nfs/dbraw/zinc/93/74/78/565937478.db2.gz CFJJVCURXQQUQG-VIFPVBQESA-N -1 3 380.272 3.252 20 0 GGADHM CC(C)CN(C(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000178782042 565937459 /nfs/dbraw/zinc/93/74/59/565937459.db2.gz QSAVXKJBKHAAGM-UHFFFAOYSA-N -1 3 394.534 3.031 20 0 GGADHM CCSc1cccc(-c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)c1 ZINC000350549935 565937665 /nfs/dbraw/zinc/93/76/65/565937665.db2.gz SFDFONWSEKSBNA-UHFFFAOYSA-N -1 3 376.463 3.282 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(CSc3ccc(O)cc3)n2)cc1 ZINC000350490800 565937768 /nfs/dbraw/zinc/93/77/68/565937768.db2.gz DOBNSPQQDZGBSJ-UHFFFAOYSA-N -1 3 377.447 3.106 20 0 GGADHM CN(Cc1nc(-c2ccc([O-])cc2)no1)C(=O)c1ccc(Br)o1 ZINC000350586239 565939068 /nfs/dbraw/zinc/93/90/68/565939068.db2.gz VJNPKFSVJNSBMJ-UHFFFAOYSA-N -1 3 378.182 3.070 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000414471487 565940549 /nfs/dbraw/zinc/94/05/49/565940549.db2.gz LIEZQBWTHLQFMN-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM Cc1nc(C)c(Cc2nc(-c3ccc(Br)cc3F)no2)c(=O)[n-]1 ZINC000350819389 565941710 /nfs/dbraw/zinc/94/17/10/565941710.db2.gz ZFSCWVAJWWVXNZ-UHFFFAOYSA-N -1 3 379.189 3.341 20 0 GGADHM Cc1cc(Cl)ccc1Cc1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1 ZINC000350907122 565942946 /nfs/dbraw/zinc/94/29/46/565942946.db2.gz GNFCANQJDASEFH-UHFFFAOYSA-N -1 3 378.841 3.056 20 0 GGADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000178921811 565946340 /nfs/dbraw/zinc/94/63/40/565946340.db2.gz DJYYRTQRAWGDNL-JTQLQIEISA-N -1 3 388.308 3.450 20 0 GGADHM Cn1nc(-c2ccc(Cl)s2)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286185322 565946918 /nfs/dbraw/zinc/94/69/18/565946918.db2.gz VPPXJXVPVIHMNO-ZETCQYMHSA-N -1 3 378.763 3.179 20 0 GGADHM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCCCc2c(Cl)cccc2Cl)C1=O ZINC000414658411 565953159 /nfs/dbraw/zinc/95/31/59/565953159.db2.gz MUKXLIZEAKZCKD-HOTGVXAUSA-N -1 3 387.307 3.226 20 0 GGADHM Cc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000237137308 565953290 /nfs/dbraw/zinc/95/32/90/565953290.db2.gz KSMNDGWJGURTIF-UHFFFAOYSA-N -1 3 380.897 3.465 20 0 GGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@H](N[C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1=O ZINC000414656341 565953698 /nfs/dbraw/zinc/95/36/98/565953698.db2.gz KOQVSNKFBHDQDJ-QCPCCJPKSA-N -1 3 384.929 3.193 20 0 GGADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179053487 565955367 /nfs/dbraw/zinc/95/53/67/565955367.db2.gz POTVNRUQDOWTEI-VIFPVBQESA-N -1 3 384.288 3.142 20 0 GGADHM C[C@H]1CCc2c(sc3[n-]c(Cn4cc(Br)cn4)nc(=O)c23)C1 ZINC000179098382 565957415 /nfs/dbraw/zinc/95/74/15/565957415.db2.gz SWWBTQCSKAUXTK-QMMMGPOBSA-N -1 3 379.283 3.117 20 0 GGADHM O=C1[N-][C@H](CC(F)(F)F)C(=O)N1Cc1cc(F)c(F)cc1Br ZINC000286471397 565962729 /nfs/dbraw/zinc/96/27/29/565962729.db2.gz VTAFLNMVLIHCEE-SECBINFHSA-N -1 3 387.102 3.100 20 0 GGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cnc(C(C)=O)s1 ZINC000414879980 565964286 /nfs/dbraw/zinc/96/42/86/565964286.db2.gz QDTYSZILFUOLOM-UHFFFAOYSA-N -1 3 380.447 3.347 20 0 GGADHM C[C@H](NCCCNC(=O)c1cccc([O-])c1)c1ncc(Br)s1 ZINC000179221965 565966931 /nfs/dbraw/zinc/96/69/31/565966931.db2.gz HKXKFWIGPMCKIO-JTQLQIEISA-N -1 3 384.299 3.082 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000179345797 565975239 /nfs/dbraw/zinc/97/52/39/565975239.db2.gz LPKOEDWIDPBIMG-UHFFFAOYSA-N -1 3 379.247 3.290 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(Cl)c1 ZINC000179388627 565977512 /nfs/dbraw/zinc/97/75/12/565977512.db2.gz JCAZWKZOQPNQIT-UHFFFAOYSA-N -1 3 375.837 3.049 20 0 GGADHM COCCn1cc(C(=O)[N-]c2cc(Cl)ccc2SCC(F)(F)F)nn1 ZINC000415207821 565978406 /nfs/dbraw/zinc/97/84/06/565978406.db2.gz DREREJIYPMDAFD-UHFFFAOYSA-N -1 3 394.806 3.485 20 0 GGADHM O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1cc(Cl)ccc1[O-] ZINC000179458302 565981746 /nfs/dbraw/zinc/98/17/46/565981746.db2.gz BQFKAOWANPGKRJ-UHFFFAOYSA-N -1 3 379.865 3.337 20 0 GGADHM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474453 565982593 /nfs/dbraw/zinc/98/25/93/565982593.db2.gz KJGNDMPOZFOIGF-LBPRGKRZSA-N -1 3 391.269 3.170 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1Cl ZINC000179494080 565984483 /nfs/dbraw/zinc/98/44/83/565984483.db2.gz IKOXYVVJMYPLGD-QGZVFWFLSA-N -1 3 388.867 3.341 20 0 GGADHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000243156144 565985095 /nfs/dbraw/zinc/98/50/95/565985095.db2.gz JPIILRYYQBATFF-UHFFFAOYSA-N -1 3 390.324 3.485 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000179556897 565988729 /nfs/dbraw/zinc/98/87/29/565988729.db2.gz CMYIWMGEDHISQX-AWEZNQCLSA-N -1 3 389.249 3.455 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000179550705 565989071 /nfs/dbraw/zinc/98/90/71/565989071.db2.gz VVZLIZJXOQMYLX-SECBINFHSA-N -1 3 383.267 3.282 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000179550715 565989088 /nfs/dbraw/zinc/98/90/88/565989088.db2.gz VVZLIZJXOQMYLX-VIFPVBQESA-N -1 3 383.267 3.282 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1F ZINC000287001600 565992360 /nfs/dbraw/zinc/99/23/60/565992360.db2.gz FAJSVPOUBFKBDS-CQSZACIVSA-N -1 3 383.470 3.164 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000179631712 565995357 /nfs/dbraw/zinc/99/53/57/565995357.db2.gz RRQIWZHKTHGXBH-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000179649022 565996101 /nfs/dbraw/zinc/99/61/01/565996101.db2.gz RKDKHVKOZOTQRW-AWEZNQCLSA-N -1 3 395.228 3.500 20 0 GGADHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179654630 565996369 /nfs/dbraw/zinc/99/63/69/565996369.db2.gz KKOHFSVRWKRTQT-MRXNPFEDSA-N -1 3 389.249 3.067 20 0 GGADHM O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000179647550 565996378 /nfs/dbraw/zinc/99/63/78/565996378.db2.gz LSTIXBULRAUKND-UHFFFAOYSA-N -1 3 378.816 3.496 20 0 GGADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000179649006 565996542 /nfs/dbraw/zinc/99/65/42/565996542.db2.gz PHVSTYSEYNMSLB-UHFFFAOYSA-N -1 3 395.897 3.227 20 0 GGADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000179649006 565996543 /nfs/dbraw/zinc/99/65/43/565996543.db2.gz PHVSTYSEYNMSLB-UHFFFAOYSA-N -1 3 395.897 3.227 20 0 GGADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000179649006 565996546 /nfs/dbraw/zinc/99/65/46/565996546.db2.gz PHVSTYSEYNMSLB-UHFFFAOYSA-N -1 3 395.897 3.227 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1N1CCOCC1 ZINC000179657150 565997329 /nfs/dbraw/zinc/99/73/29/565997329.db2.gz BTVQCCOZVIBPLZ-UHFFFAOYSA-N -1 3 377.238 3.244 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)sc1Br ZINC000245569674 565997582 /nfs/dbraw/zinc/99/75/82/565997582.db2.gz YQSXVHAMNPCHPO-MVWJERBFSA-N -1 3 392.340 3.055 20 0 GGADHM COCCCON=C([O-])Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000287129264 565999068 /nfs/dbraw/zinc/99/90/68/565999068.db2.gz OYRDMEGOTDAJSP-UHFFFAOYSA-N -1 3 397.273 3.248 20 0 GGADHM COCCCO[N-]C(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000287129264 565999073 /nfs/dbraw/zinc/99/90/73/565999073.db2.gz OYRDMEGOTDAJSP-UHFFFAOYSA-N -1 3 397.273 3.248 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000245688202 566001882 /nfs/dbraw/zinc/00/18/82/566001882.db2.gz PWZUKCHHUNCBNZ-ILWJIGKKSA-N -1 3 382.707 3.337 20 0 GGADHM NC[C@H](NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)C1CCCC1 ZINC000415513095 566002511 /nfs/dbraw/zinc/00/25/11/566002511.db2.gz WNFRNHPTSLDYOE-LBPRGKRZSA-N -1 3 383.880 3.059 20 0 GGADHM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000179741307 566005409 /nfs/dbraw/zinc/00/54/09/566005409.db2.gz LROFLWODKGUMOG-DEOSSOPVSA-N -1 3 381.519 3.462 20 0 GGADHM C[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@@H]1CN ZINC000415633329 566009768 /nfs/dbraw/zinc/00/97/68/566009768.db2.gz QLDWXBHKOAFOPA-TVQRCGJNSA-N -1 3 383.880 3.011 20 0 GGADHM CCC(CC)(CN)NC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000415641657 566011309 /nfs/dbraw/zinc/01/13/09/566011309.db2.gz ZSVUNURYODQLJO-UHFFFAOYSA-N -1 3 398.330 3.029 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Br)ccc1Cl ZINC000246007617 566013993 /nfs/dbraw/zinc/01/39/93/566013993.db2.gz KEFLHYBMRLVBRO-UHTWSYAYSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cccc(Cl)c2F)CC1)c1cccs1 ZINC000179872938 566014656 /nfs/dbraw/zinc/01/46/56/566014656.db2.gz USWMFSMGNNOUBD-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C2CC2)s1 ZINC000246030840 566014755 /nfs/dbraw/zinc/01/47/55/566014755.db2.gz AHEYZNPNSLSUGT-YEWWUXTCSA-N -1 3 382.551 3.217 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363649274 566015364 /nfs/dbraw/zinc/01/53/64/566015364.db2.gz WYMMLTGNACAGHY-SECBINFHSA-N -1 3 382.829 3.034 20 0 GGADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000179908606 566018258 /nfs/dbraw/zinc/01/82/58/566018258.db2.gz MPZJADXBWWXXRZ-KGLIPLIRSA-N -1 3 386.583 3.310 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)s1 ZINC000179927635 566019251 /nfs/dbraw/zinc/01/92/51/566019251.db2.gz RIKJISRDAYHMBG-CQSZACIVSA-N -1 3 384.567 3.088 20 0 GGADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]c3ncccc3Cl)s2)CC1 ZINC000179935536 566020596 /nfs/dbraw/zinc/02/05/96/566020596.db2.gz SWKBQKLIZNUVPY-UHFFFAOYSA-N -1 3 399.925 3.469 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)sc1Br ZINC000363803928 566022198 /nfs/dbraw/zinc/02/21/98/566022198.db2.gz VZWVSXOPYPDJMY-UHFFFAOYSA-N -1 3 380.329 3.057 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1C(F)(F)F ZINC000246229692 566023253 /nfs/dbraw/zinc/02/32/53/566023253.db2.gz FUBUTGFLFJYCMI-KCPJHIHWSA-N -1 3 375.412 3.331 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)s1 ZINC000287535626 566023480 /nfs/dbraw/zinc/02/34/80/566023480.db2.gz USEDFVSPUZPVCU-UHFFFAOYSA-N -1 3 398.254 3.025 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1nc(C)cs1 ZINC000246266978 566023812 /nfs/dbraw/zinc/02/38/12/566023812.db2.gz UUDCSNQHGIKRTA-VHSSKADRSA-N -1 3 384.567 3.392 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179990273 566024392 /nfs/dbraw/zinc/02/43/92/566024392.db2.gz DKKXLOYAEGLFNI-ZDUSSCGKSA-N -1 3 399.881 3.169 20 0 GGADHM O=C(c1cccc(F)c1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000179998175 566024402 /nfs/dbraw/zinc/02/44/02/566024402.db2.gz FEVZORROHWDVIF-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(Nc1ccsc1)c1c[n-]c2ccc(I)cc2c1=O ZINC000180023687 566026527 /nfs/dbraw/zinc/02/65/27/566026527.db2.gz OATWDNHIQFRACL-UHFFFAOYSA-N -1 3 396.209 3.447 20 0 GGADHM O=C(Nc1ccsc1)c1cnc2ccc(I)cc2c1[O-] ZINC000180023687 566026528 /nfs/dbraw/zinc/02/65/28/566026528.db2.gz OATWDNHIQFRACL-UHFFFAOYSA-N -1 3 396.209 3.447 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)cc1Cl ZINC000364039179 566032194 /nfs/dbraw/zinc/03/21/94/566032194.db2.gz FPUBSWXDVXHKDF-UHFFFAOYSA-N -1 3 380.293 3.240 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)c1c(C)noc1C ZINC000180118922 566034319 /nfs/dbraw/zinc/03/43/19/566034319.db2.gz MQCCBNYJTUXRJQ-SECBINFHSA-N -1 3 394.316 3.248 20 0 GGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cccnc1Br ZINC000364091406 566034929 /nfs/dbraw/zinc/03/49/29/566034929.db2.gz HJZMRUFYNLEWPH-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cccnc1Br ZINC000364091406 566034931 /nfs/dbraw/zinc/03/49/31/566034931.db2.gz HJZMRUFYNLEWPH-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1c(F)cccc1OC(F)(F)F ZINC000287706528 566034920 /nfs/dbraw/zinc/03/49/20/566034920.db2.gz FZAZWTCANIQSMV-SNVBAGLBSA-N -1 3 383.363 3.104 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Br)c(Cl)c1 ZINC000246653822 566035921 /nfs/dbraw/zinc/03/59/21/566035921.db2.gz KHXFQXYIBJXFHL-GDLCADMTSA-N -1 3 394.718 3.338 20 0 GGADHM COc1ccc(COCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000180139243 566036389 /nfs/dbraw/zinc/03/63/89/566036389.db2.gz UWMKRJGKXYKQTP-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000180144680 566036447 /nfs/dbraw/zinc/03/64/47/566036447.db2.gz GOIBECOWJKIYIP-UHFFFAOYSA-N -1 3 377.809 3.055 20 0 GGADHM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000416148257 566037892 /nfs/dbraw/zinc/03/78/92/566037892.db2.gz SSQQGTHCGMELSA-CYBMUJFWSA-N -1 3 385.277 3.384 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1 ZINC000180157441 566038825 /nfs/dbraw/zinc/03/88/25/566038825.db2.gz PYJWPSOPTMSFBV-UHFFFAOYSA-N -1 3 378.519 3.042 20 0 GGADHM O=S(=O)([N-]CCNCc1c(Cl)cccc1N1CCCC1)c1cccs1 ZINC000180167165 566040147 /nfs/dbraw/zinc/04/01/47/566040147.db2.gz RVEXAHSTNKMNGK-UHFFFAOYSA-N -1 3 399.969 3.070 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000180177123 566041745 /nfs/dbraw/zinc/04/17/45/566041745.db2.gz DMTMTHZEVFBZMY-KBPBESRZSA-N -1 3 390.889 3.361 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000246831443 566043065 /nfs/dbraw/zinc/04/30/65/566043065.db2.gz UVGUZXUGOLSVOQ-ZWKOPEQDSA-N -1 3 394.718 3.194 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cnc(Cl)c(F)c1 ZINC000287890113 566046130 /nfs/dbraw/zinc/04/61/30/566046130.db2.gz RKBJRTWDBRBBDX-DOMZBBRYSA-N -1 3 388.823 3.212 20 0 GGADHM CC(C)(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CCC(O)CC1 ZINC000416231901 566047616 /nfs/dbraw/zinc/04/76/16/566047616.db2.gz VVSSFPPZAXXXAY-UHFFFAOYSA-N -1 3 380.286 3.035 20 0 GGADHM CCCc1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)s1 ZINC000180257079 566047985 /nfs/dbraw/zinc/04/79/85/566047985.db2.gz DKEGKOXJYYHTIQ-UHFFFAOYSA-N -1 3 385.536 3.194 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1Cl ZINC000247006737 566049320 /nfs/dbraw/zinc/04/93/20/566049320.db2.gz QHAGXLSZWGQRQT-MCCGJVOXSA-N -1 3 380.293 3.094 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c1 ZINC000416599090 566094233 /nfs/dbraw/zinc/09/42/33/566094233.db2.gz HGVJRYSRLBRFAW-QMMMGPOBSA-N -1 3 390.221 3.325 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000180284567 566051617 /nfs/dbraw/zinc/05/16/17/566051617.db2.gz DCCZUVVZLIMKDZ-UHFFFAOYSA-N -1 3 377.249 3.214 20 0 GGADHM CC1(C)c2cc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)ccc2NC1=O ZINC000180290995 566052220 /nfs/dbraw/zinc/05/22/20/566052220.db2.gz DLGJDVBRWFVDMR-UHFFFAOYSA-N -1 3 386.260 3.419 20 0 GGADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc2c(c1)OCCCO2 ZINC000180291218 566052396 /nfs/dbraw/zinc/05/23/96/566052396.db2.gz MTOZLNUXOAGEHE-UHFFFAOYSA-N -1 3 375.233 3.351 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180291956 566052624 /nfs/dbraw/zinc/05/26/24/566052624.db2.gz JFJJYPGTDDKVFV-UHFFFAOYSA-N -1 3 379.196 3.115 20 0 GGADHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)[C@H]1C ZINC000416317701 566053245 /nfs/dbraw/zinc/05/32/45/566053245.db2.gz JIRZRGQMQREPHF-WOPDTQHZSA-N -1 3 393.336 3.165 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1C ZINC000416369813 566057078 /nfs/dbraw/zinc/05/70/78/566057078.db2.gz JRBIMNCGYQZJDH-ZDUSSCGKSA-N -1 3 381.881 3.345 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cn1C ZINC000416371119 566058247 /nfs/dbraw/zinc/05/82/47/566058247.db2.gz KXSHYRYUYIUCSC-UHFFFAOYSA-N -1 3 379.379 3.180 20 0 GGADHM CCCN1CCC([N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000416377984 566059229 /nfs/dbraw/zinc/05/92/29/566059229.db2.gz YLZZDLLMWQCXOS-UHFFFAOYSA-N -1 3 393.322 3.049 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CC(C)(C)C(=O)OC)c1 ZINC000288167033 566059831 /nfs/dbraw/zinc/05/98/31/566059831.db2.gz DBVIUFWAFGJDKA-UHFFFAOYSA-N -1 3 390.889 3.020 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000416384997 566059943 /nfs/dbraw/zinc/05/99/43/566059943.db2.gz FOTHKHIMNBBATE-ZDUSSCGKSA-N -1 3 379.865 3.135 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1nc(C)cs1 ZINC000416384209 566060313 /nfs/dbraw/zinc/06/03/13/566060313.db2.gz HEQOIDHOWAYBAP-NSHDSACASA-N -1 3 388.898 3.321 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000416398846 566062145 /nfs/dbraw/zinc/06/21/45/566062145.db2.gz NOECHXXSYISDDE-UHFFFAOYSA-N -1 3 388.898 3.105 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)nc1C(C)C ZINC000416394338 566062321 /nfs/dbraw/zinc/06/23/21/566062321.db2.gz XBDMXQRMHGXXKM-UHFFFAOYSA-N -1 3 380.491 3.019 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000416397906 566062492 /nfs/dbraw/zinc/06/24/92/566062492.db2.gz CCRSPAZQEOXSIQ-JTQLQIEISA-N -1 3 387.910 3.406 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2cccc(Br)c2)CC1 ZINC000247524222 566062764 /nfs/dbraw/zinc/06/27/64/566062764.db2.gz YTODDAOUBPRPFK-UHFFFAOYSA-N -1 3 375.148 3.256 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2cccc(Br)c2)CC1 ZINC000247524222 566062770 /nfs/dbraw/zinc/06/27/70/566062770.db2.gz YTODDAOUBPRPFK-UHFFFAOYSA-N -1 3 375.148 3.256 20 0 GGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cc3c(cc2Br)OCCO3)n1 ZINC000180466754 566063544 /nfs/dbraw/zinc/06/35/44/566063544.db2.gz RGYAJLDHOMUZJD-SNVBAGLBSA-N -1 3 394.269 3.129 20 0 GGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416416283 566064605 /nfs/dbraw/zinc/06/46/05/566064605.db2.gz LLCWYVSOXRPPAC-RYUDHWBXSA-N -1 3 377.915 3.079 20 0 GGADHM CC1(C)CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000288259852 566064982 /nfs/dbraw/zinc/06/49/82/566064982.db2.gz HDGWNZASVLVMSW-OAHLLOKOSA-N -1 3 382.482 3.482 20 0 GGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416416280 566064929 /nfs/dbraw/zinc/06/49/29/566064929.db2.gz LLCWYVSOXRPPAC-NEPJUHHUSA-N -1 3 377.915 3.079 20 0 GGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000288290268 566065986 /nfs/dbraw/zinc/06/59/86/566065986.db2.gz FYJUAVVRSNOTCR-UHFFFAOYSA-N -1 3 378.347 3.190 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416420533 566066359 /nfs/dbraw/zinc/06/63/59/566066359.db2.gz ZOOMMRZYQOGFRZ-QWHCGFSZSA-N -1 3 391.942 3.469 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1OCCN(C)C ZINC000416423233 566067041 /nfs/dbraw/zinc/06/70/41/566067041.db2.gz SYJCRUDOWZNARN-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)c(C)o1 ZINC000416444665 566068671 /nfs/dbraw/zinc/06/86/71/566068671.db2.gz YZGRWMLPHUWBLQ-UHFFFAOYSA-N -1 3 391.262 3.022 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1c(C)noc1C ZINC000416443238 566068732 /nfs/dbraw/zinc/06/87/32/566068732.db2.gz VMYAQIXVMPVAOO-LBPRGKRZSA-N -1 3 388.873 3.392 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c(F)cc1Br ZINC000416449141 566069480 /nfs/dbraw/zinc/06/94/80/566069480.db2.gz ITGNBJGKXQMMMJ-FZMZJTMJSA-N -1 3 394.306 3.379 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C ZINC000416461591 566070491 /nfs/dbraw/zinc/07/04/91/566070491.db2.gz ZXLZCWOAJJXONG-LBPRGKRZSA-N -1 3 379.931 3.183 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCC1CCC(OC)CC1 ZINC000416459391 566070607 /nfs/dbraw/zinc/07/06/07/566070607.db2.gz SKRYQOZGQAYZLZ-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000416464030 566070662 /nfs/dbraw/zinc/07/06/62/566070662.db2.gz WLKFFOQODPHSNW-HUUCEWRRSA-N -1 3 389.851 3.164 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1nccs1 ZINC000416464631 566072022 /nfs/dbraw/zinc/07/20/22/566072022.db2.gz XLDNQKGJWBPRQK-OAHLLOKOSA-N -1 3 390.914 3.417 20 0 GGADHM C[C@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000416472351 566072192 /nfs/dbraw/zinc/07/21/92/566072192.db2.gz AKGAHDJZNLLMQE-JTQLQIEISA-N -1 3 386.461 3.349 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC1(C)CCC(OC)CC1 ZINC000416472670 566072845 /nfs/dbraw/zinc/07/28/45/566072845.db2.gz BHAPNVIRSQXJKM-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000180568108 566073990 /nfs/dbraw/zinc/07/39/90/566073990.db2.gz YICHJGUDJYABIA-NXEZZACHSA-N -1 3 383.388 3.028 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)o1 ZINC000416491073 566075611 /nfs/dbraw/zinc/07/56/11/566075611.db2.gz WUJJWRMOIMXUJG-UHFFFAOYSA-N -1 3 391.262 3.234 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1c(OC)cccc1OC)c1cccc(Cl)c1 ZINC000288526646 566077378 /nfs/dbraw/zinc/07/73/78/566077378.db2.gz ZLGRVYTVYCKOCR-CQSZACIVSA-N -1 3 385.869 3.023 20 0 GGADHM O=S(=O)([N-]CCOCC1CCCC1)c1cc(F)ccc1Br ZINC000416503878 566077489 /nfs/dbraw/zinc/07/74/89/566077489.db2.gz RNEIOJQEAJCLKB-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000248424975 566077545 /nfs/dbraw/zinc/07/75/45/566077545.db2.gz HQHJLJNPUXTASD-MGPQQGTHSA-N -1 3 378.460 3.013 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000416504349 566077867 /nfs/dbraw/zinc/07/78/67/566077867.db2.gz UFSXOYNDLWDEGJ-SNVBAGLBSA-N -1 3 385.379 3.208 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000288521424 566077914 /nfs/dbraw/zinc/07/79/14/566077914.db2.gz WADIGCVZUAKZON-UHFFFAOYSA-N -1 3 375.537 3.106 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1c(OC)cccc1OC)c1cccc(Cl)c1 ZINC000288526641 566078073 /nfs/dbraw/zinc/07/80/73/566078073.db2.gz ZLGRVYTVYCKOCR-AWEZNQCLSA-N -1 3 385.869 3.023 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000416504348 566078048 /nfs/dbraw/zinc/07/80/48/566078048.db2.gz UFSXOYNDLWDEGJ-JTQLQIEISA-N -1 3 385.379 3.208 20 0 GGADHM CCc1cc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000180627978 566078457 /nfs/dbraw/zinc/07/84/57/566078457.db2.gz YEMVEDHPLBQHMO-UHFFFAOYSA-N -1 3 391.265 3.280 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)nc1 ZINC000416510778 566078578 /nfs/dbraw/zinc/07/85/78/566078578.db2.gz YKTZURBPODINGV-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)C ZINC000416511646 566078624 /nfs/dbraw/zinc/07/86/24/566078624.db2.gz YJNCLCAEJNFPGM-SNVBAGLBSA-N -1 3 376.906 3.410 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000416509980 566078881 /nfs/dbraw/zinc/07/88/81/566078881.db2.gz STTFDSIMRBANLE-MRXNPFEDSA-N -1 3 381.519 3.329 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CC(C)(C)C)cc1F ZINC000416507902 566078899 /nfs/dbraw/zinc/07/88/99/566078899.db2.gz PLEPHAFTCMCZEH-LBPRGKRZSA-N -1 3 394.534 3.080 20 0 GGADHM Cc1ncccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000416513444 566079430 /nfs/dbraw/zinc/07/94/30/566079430.db2.gz WFMTWFPMOBHCTP-LBPRGKRZSA-N -1 3 381.523 3.055 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000288561911 566080439 /nfs/dbraw/zinc/08/04/39/566080439.db2.gz JXHDLULBYXSQHB-UHFFFAOYSA-N -1 3 388.898 3.028 20 0 GGADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000416532889 566082216 /nfs/dbraw/zinc/08/22/16/566082216.db2.gz XVPPWQKBGQVRPR-AOOOYVTPSA-N -1 3 382.707 3.337 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 ZINC000416539985 566083446 /nfs/dbraw/zinc/08/34/46/566083446.db2.gz FVOWHJCZGUUJOD-UHFFFAOYSA-N -1 3 396.822 3.253 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc2c(cc1Br)OCO2 ZINC000248614766 566083772 /nfs/dbraw/zinc/08/37/72/566083772.db2.gz ZBXSOJJCPGRSAS-SWHYSGLUSA-N -1 3 382.254 3.396 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc2c(cc1Br)OCO2 ZINC000248614755 566084142 /nfs/dbraw/zinc/08/41/42/566084142.db2.gz ZBXSOJJCPGRSAS-BPNCWPANSA-N -1 3 382.254 3.396 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1nc2c(s1)CCC2 ZINC000416542758 566084694 /nfs/dbraw/zinc/08/46/94/566084694.db2.gz XWYICZIFVVRDLD-SSDOTTSWSA-N -1 3 377.285 3.027 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000416540573 566084551 /nfs/dbraw/zinc/08/45/51/566084551.db2.gz HPPPFDVTQURBBV-UHFFFAOYSA-N -1 3 396.822 3.253 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)o1 ZINC000416545623 566084794 /nfs/dbraw/zinc/08/47/94/566084794.db2.gz KALWJTFCCZHCJV-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000416542378 566084882 /nfs/dbraw/zinc/08/48/82/566084882.db2.gz CRVSQHRCQJPEOI-RDTXWAMCSA-N -1 3 386.583 3.166 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000416549387 566085428 /nfs/dbraw/zinc/08/54/28/566085428.db2.gz YQRHUFLLXUHXAO-UHFFFAOYSA-N -1 3 396.822 3.253 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)o1 ZINC000416550421 566085736 /nfs/dbraw/zinc/08/57/36/566085736.db2.gz QZERZDZKKAAOFR-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000416553582 566085810 /nfs/dbraw/zinc/08/58/10/566085810.db2.gz JDZLWODWDPFBCZ-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000180746956 566085984 /nfs/dbraw/zinc/08/59/84/566085984.db2.gz BXOSWAWOROCADJ-FZMZJTMJSA-N -1 3 379.837 3.488 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)s1 ZINC000416553246 566086034 /nfs/dbraw/zinc/08/60/34/566086034.db2.gz DQSXTZLRJYDLRN-SFHVURJKSA-N -1 3 384.567 3.230 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)s1 ZINC000416553245 566086132 /nfs/dbraw/zinc/08/61/32/566086132.db2.gz DQSXTZLRJYDLRN-GOSISDBHSA-N -1 3 384.567 3.230 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)s1 ZINC000416550116 566086215 /nfs/dbraw/zinc/08/62/15/566086215.db2.gz RFNKNIKNNBICDD-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM O=S(=O)(CCCCF)[N-]c1cnc(Br)c(Br)c1 ZINC000288722577 566087714 /nfs/dbraw/zinc/08/77/14/566087714.db2.gz ZVNWDYYNLUVJKF-UHFFFAOYSA-N -1 3 390.072 3.098 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)s1 ZINC000416574136 566089304 /nfs/dbraw/zinc/08/93/04/566089304.db2.gz ZLQUGADCLCUTGY-SECBINFHSA-N -1 3 389.882 3.236 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@](C)(OC)C2CC2)c(Cl)c1Cl ZINC000416580903 566090805 /nfs/dbraw/zinc/09/08/05/566090805.db2.gz CTIGSHSCKXNSHF-RFAUZJTJSA-N -1 3 382.309 3.484 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)s1 ZINC000180797671 566090831 /nfs/dbraw/zinc/09/08/31/566090831.db2.gz SLPQDCVQZOBOQL-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)cc1OC ZINC000416589445 566091456 /nfs/dbraw/zinc/09/14/56/566091456.db2.gz BFFZMQWJKXUQNV-QMMMGPOBSA-N -1 3 375.796 3.224 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(Cl)cc(Br)c1 ZINC000416590691 566091614 /nfs/dbraw/zinc/09/16/14/566091614.db2.gz HCFWFXNAKDSWCD-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000416596838 566092556 /nfs/dbraw/zinc/09/25/56/566092556.db2.gz RUSBBIMLLJXNMW-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000416593563 566092899 /nfs/dbraw/zinc/09/28/99/566092899.db2.gz NSWZMMDYLQTPOX-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H](C)O1 ZINC000416599196 566093574 /nfs/dbraw/zinc/09/35/74/566093574.db2.gz HMEYYKJPAXLCTE-KXUCPTDWSA-N -1 3 382.707 3.194 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000416600309 566093897 /nfs/dbraw/zinc/09/38/97/566093897.db2.gz XIGBRGUTIYHWBI-UHFFFAOYSA-N -1 3 385.379 3.208 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)cc1Br ZINC000416599146 566094135 /nfs/dbraw/zinc/09/41/35/566094135.db2.gz VSRHKEYERJOHPB-GHMZBOCLSA-N -1 3 396.278 3.025 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1c([O-])cccc1O ZINC000180856649 566094351 /nfs/dbraw/zinc/09/43/51/566094351.db2.gz AXYASGIUQUGXGX-UHFFFAOYSA-N -1 3 380.238 3.401 20 0 GGADHM O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1c([O-])cccc1O ZINC000180849365 566094537 /nfs/dbraw/zinc/09/45/37/566094537.db2.gz CNWWMGBGANGHJO-LBPRGKRZSA-N -1 3 391.265 3.117 20 0 GGADHM CC(C)C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)Nc1nccs1 ZINC000180871350 566095019 /nfs/dbraw/zinc/09/50/19/566095019.db2.gz UAVLDHMQSFTKCH-AWEZNQCLSA-N -1 3 381.885 3.214 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c(Br)c1 ZINC000416604264 566095035 /nfs/dbraw/zinc/09/50/35/566095035.db2.gz LHZOHTPVLJAFJD-MRVPVSSYSA-N -1 3 390.221 3.325 20 0 GGADHM CC(C)C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)Nc1nccs1 ZINC000180871368 566095352 /nfs/dbraw/zinc/09/53/52/566095352.db2.gz UAVLDHMQSFTKCH-CQSZACIVSA-N -1 3 381.885 3.214 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)c1csnn1 ZINC000416629861 566098475 /nfs/dbraw/zinc/09/84/75/566098475.db2.gz HNAJQTJRIFURHE-ZETCQYMHSA-N -1 3 396.719 3.135 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000416641721 566099645 /nfs/dbraw/zinc/09/96/45/566099645.db2.gz BYCUHPXZOXOQKU-GDBMZVCRSA-N -1 3 387.929 3.348 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CC(C)C)OC ZINC000416642765 566099934 /nfs/dbraw/zinc/09/99/34/566099934.db2.gz GMWGXNBWUSKMHH-UKRRQHHQSA-N -1 3 393.933 3.093 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CC(C)C)OC ZINC000416642766 566100159 /nfs/dbraw/zinc/10/01/59/566100159.db2.gz GMWGXNBWUSKMHH-ZFWWWQNUSA-N -1 3 393.933 3.093 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n[n-]1 ZINC000180927245 566100177 /nfs/dbraw/zinc/10/01/77/566100177.db2.gz QAQSMYDDHBAOKA-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)[n-]n1 ZINC000180927245 566100180 /nfs/dbraw/zinc/10/01/80/566100180.db2.gz QAQSMYDDHBAOKA-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM COC(C)(C)Cc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000289029841 566102027 /nfs/dbraw/zinc/10/20/27/566102027.db2.gz GGMNMYBWQSTGPH-UHFFFAOYSA-N -1 3 378.230 3.252 20 0 GGADHM COC(C)(C)Cc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000289029841 566102030 /nfs/dbraw/zinc/10/20/30/566102030.db2.gz GGMNMYBWQSTGPH-UHFFFAOYSA-N -1 3 378.230 3.252 20 0 GGADHM COC(C)(C)Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000289029841 566102035 /nfs/dbraw/zinc/10/20/35/566102035.db2.gz GGMNMYBWQSTGPH-UHFFFAOYSA-N -1 3 378.230 3.252 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000416662994 566102146 /nfs/dbraw/zinc/10/21/46/566102146.db2.gz RXHLVXCEGXZXJC-LDYMZIIASA-N -1 3 390.230 3.024 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C2(O)CCOCC2)c1Cl ZINC000416669955 566103089 /nfs/dbraw/zinc/10/30/89/566103089.db2.gz SMSNVOFAHOWEFU-UHFFFAOYSA-N -1 3 396.336 3.148 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000180993772 566104895 /nfs/dbraw/zinc/10/48/95/566104895.db2.gz JKUGDXUZLOCJKA-ZDUSSCGKSA-N -1 3 380.231 3.337 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cc(Br)ccc1F ZINC000181010371 566106112 /nfs/dbraw/zinc/10/61/12/566106112.db2.gz AXUIYVAVOHPUDF-UHFFFAOYSA-N -1 3 399.216 3.497 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(Cc1cccs1)C(C)C ZINC000289116965 566106502 /nfs/dbraw/zinc/10/65/02/566106502.db2.gz GWYURYOABWOHSY-UHFFFAOYSA-N -1 3 380.491 3.280 20 0 GGADHM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000289113725 566107198 /nfs/dbraw/zinc/10/71/98/566107198.db2.gz JYABDTISXSSFBT-RYUDHWBXSA-N -1 3 387.889 3.043 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc(Br)c1 ZINC000181024447 566107194 /nfs/dbraw/zinc/10/71/94/566107194.db2.gz KDHKYMKCVBXNEM-UHFFFAOYSA-N -1 3 381.226 3.357 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(C(=O)CC(C)C)CC2)sc1Cl ZINC000252508011 566114315 /nfs/dbraw/zinc/11/43/15/566114315.db2.gz XACNEPYKMCNYPQ-UHFFFAOYSA-N -1 3 378.947 3.025 20 0 GGADHM CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OC)c([O-])c1Br ZINC000289273606 566114935 /nfs/dbraw/zinc/11/49/35/566114935.db2.gz GLGBESDGZGZQEM-CYBMUJFWSA-N -1 3 385.302 3.044 20 0 GGADHM Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000289334467 566117768 /nfs/dbraw/zinc/11/77/68/566117768.db2.gz YSASVBFCKKQNOY-UHFFFAOYSA-N -1 3 382.258 3.494 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c(C)c1F ZINC000181147885 566119464 /nfs/dbraw/zinc/11/94/64/566119464.db2.gz GCBYMGPMPCVZHM-XMMPIXPASA-N -1 3 385.482 3.130 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000253547155 566120002 /nfs/dbraw/zinc/12/00/02/566120002.db2.gz HMVGAVIRZPCZOG-RDBSUJKOSA-N -1 3 382.507 3.008 20 0 GGADHM COc1ccc(I)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417019143 566120494 /nfs/dbraw/zinc/12/04/94/566120494.db2.gz QLYNDONTXFHIEZ-UHFFFAOYSA-N -1 3 397.216 3.285 20 0 GGADHM O=S(=O)([N-]C1CCN(C/C=C\c2ccc(F)cc2)CC1)c1cccs1 ZINC000254973660 566121533 /nfs/dbraw/zinc/12/15/33/566121533.db2.gz BUKUPKFOZMPLSG-IWQZZHSRSA-N -1 3 380.510 3.343 20 0 GGADHM COc1cc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1SC ZINC000289418343 566121709 /nfs/dbraw/zinc/12/17/09/566121709.db2.gz HOONQBULKXFTKI-ZDUSSCGKSA-N -1 3 376.444 3.308 20 0 GGADHM O=c1cc(CNc2cccc(F)c2I)nc(C2CC2)[n-]1 ZINC000417041969 566121824 /nfs/dbraw/zinc/12/18/24/566121824.db2.gz XTPNTJAEJNOOFK-UHFFFAOYSA-N -1 3 385.180 3.415 20 0 GGADHM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2csc3ccccc32)no1 ZINC000289427807 566122291 /nfs/dbraw/zinc/12/22/91/566122291.db2.gz CVSSVFRSNVWTTC-LLVKDONJSA-N -1 3 381.479 3.249 20 0 GGADHM COCCN(Cc1cccnc1)Cc1ccc(OC)c([O-])c1Br ZINC000289485645 566124606 /nfs/dbraw/zinc/12/46/06/566124606.db2.gz QZKCOSBVDQJUGC-UHFFFAOYSA-N -1 3 381.270 3.207 20 0 GGADHM CSc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289545008 566128525 /nfs/dbraw/zinc/12/85/25/566128525.db2.gz POIPUTLHNBPKET-LLVKDONJSA-N -1 3 375.416 3.331 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2noc(COC(C)C)n2)sc1Cl ZINC000289552751 566128617 /nfs/dbraw/zinc/12/86/17/566128617.db2.gz OICUJLZDLUCJIG-SECBINFHSA-N -1 3 379.891 3.057 20 0 GGADHM COc1cc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1Cl ZINC000417182584 566131945 /nfs/dbraw/zinc/13/19/45/566131945.db2.gz SMDHYOLWDYOCCH-DEOSSOPVSA-N -1 3 380.775 3.312 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3cscc3Br)CC2)n[n-]1 ZINC000289815434 566141956 /nfs/dbraw/zinc/14/19/56/566141956.db2.gz SZIBCMQVBMZEDH-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3cscc3Br)CC2)[n-]1 ZINC000289815434 566141962 /nfs/dbraw/zinc/14/19/62/566141962.db2.gz SZIBCMQVBMZEDH-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(Br)c1[O-] ZINC000289892000 566145161 /nfs/dbraw/zinc/14/51/61/566145161.db2.gz WMRUDQZKMOQQNY-WDEREUQCSA-N -1 3 398.219 3.156 20 0 GGADHM C[C@H](NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000262066598 566145484 /nfs/dbraw/zinc/14/54/84/566145484.db2.gz CIKUNPSBYHMQSK-OAVHHTNSSA-N -1 3 385.291 3.357 20 0 GGADHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@@H]2CCCO[C@H]21 ZINC000366295939 566145718 /nfs/dbraw/zinc/14/57/18/566145718.db2.gz OTPYDAQRDNKQEO-NILFDRSVSA-N -1 3 383.286 3.158 20 0 GGADHM Cc1sc2ncc(C(=O)Nc3cc(Br)ccc3[O-])c(=O)n2c1C ZINC000181536217 566148377 /nfs/dbraw/zinc/14/83/77/566148377.db2.gz ZUCQPKDRNGBQEO-UHFFFAOYSA-N -1 3 394.250 3.093 20 0 GGADHM COc1ccc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Br)c1OC ZINC000262209331 566148573 /nfs/dbraw/zinc/14/85/73/566148573.db2.gz TWDHOTKMLZRLTK-YVEFUNNKSA-N -1 3 384.270 3.153 20 0 GGADHM O=C([O-])[C@H]1CC[C@H](CNCc2ccc(F)cc2I)CC1 ZINC000417542934 566155206 /nfs/dbraw/zinc/15/52/06/566155206.db2.gz FHMAQNHLPPBUJM-XYPYZODXSA-N -1 3 391.224 3.411 20 0 GGADHM O=C([O-])C1CCC(NCc2ccc(F)cc2I)CC1 ZINC000417536133 566155482 /nfs/dbraw/zinc/15/54/82/566155482.db2.gz QBOBVMDYHHCODT-UHFFFAOYSA-N -1 3 377.197 3.163 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cc(Br)cc2c1OCC2 ZINC000262727078 566159350 /nfs/dbraw/zinc/15/93/50/566159350.db2.gz ZTQAHYCDFUEYFA-MRXNPFEDSA-N -1 3 376.250 3.170 20 0 GGADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1ccc(Br)cn1 ZINC000417568077 566159455 /nfs/dbraw/zinc/15/94/55/566159455.db2.gz SYCZRWYQDRULIV-MRXNPFEDSA-N -1 3 395.322 3.363 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1Br ZINC000366575591 566160003 /nfs/dbraw/zinc/16/00/03/566160003.db2.gz FZOKUKGAMWBPKT-AAEUAGOBSA-N -1 3 394.718 3.338 20 0 GGADHM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181711749 566160331 /nfs/dbraw/zinc/16/03/31/566160331.db2.gz HISGXKGKAANOEF-XMMPIXPASA-N -1 3 389.445 3.010 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cs1 ZINC000290168910 566160774 /nfs/dbraw/zinc/16/07/74/566160774.db2.gz PMCQGKLBLJECLM-UHFFFAOYSA-N -1 3 380.413 3.095 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000366603850 566161392 /nfs/dbraw/zinc/16/13/92/566161392.db2.gz PABIEIMTCLFHNH-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM O=S(=O)([N-]Cc1nccn1CCc1ccccc1)c1ccc(Cl)s1 ZINC000181723646 566161552 /nfs/dbraw/zinc/16/15/52/566161552.db2.gz SMVJTNSLDISDFB-UHFFFAOYSA-N -1 3 381.910 3.319 20 0 GGADHM CC[C@]1(C[N-]S(=O)(=O)Cc2ccc(Cl)nc2)OCCc2ccccc21 ZINC000290214697 566162298 /nfs/dbraw/zinc/16/22/98/566162298.db2.gz OANSZOAVLKCCSP-GOSISDBHSA-N -1 3 380.897 3.033 20 0 GGADHM C[C@H](CC(=O)[O-])NCc1cc(Br)ccc1OCc1ccccn1 ZINC000417597380 566165326 /nfs/dbraw/zinc/16/53/26/566165326.db2.gz SQUSIFJOGNNIRQ-GFCCVEGCSA-N -1 3 379.254 3.376 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1Br)[C@H]1CCOC1 ZINC000417598250 566166135 /nfs/dbraw/zinc/16/61/35/566166135.db2.gz YHYUENADCNBDMO-UFBFGSQYSA-N -1 3 382.176 3.047 20 0 GGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000417614059 566166635 /nfs/dbraw/zinc/16/66/35/566166635.db2.gz DOSJDHNLSYJUJK-NXEZZACHSA-N -1 3 380.160 3.467 20 0 GGADHM CC(C)(C)OC[C@H](NCc1ccnc2c(Br)cccc12)C(=O)[O-] ZINC000417601567 566166905 /nfs/dbraw/zinc/16/69/05/566166905.db2.gz STSIFUZERFDZBC-AWEZNQCLSA-N -1 3 381.270 3.355 20 0 GGADHM O=C([O-])COCCNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000417616184 566167026 /nfs/dbraw/zinc/16/70/26/566167026.db2.gz DJHWCJNEGPOGAB-UHFFFAOYSA-N -1 3 394.265 3.219 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000417613872 566167128 /nfs/dbraw/zinc/16/71/28/566167128.db2.gz ASDMHNCNEAWGLY-CYBMUJFWSA-N -1 3 390.249 3.253 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@H](C(=O)[O-])C1CC1 ZINC000417611157 566167407 /nfs/dbraw/zinc/16/74/07/566167407.db2.gz UUASPCFCRYSEJF-NSHDSACASA-N -1 3 393.075 3.173 20 0 GGADHM Cc1ccc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])c(Br)c1 ZINC000417617291 566167506 /nfs/dbraw/zinc/16/75/06/566167506.db2.gz FKUPWHSTTDPDIK-CQSZACIVSA-N -1 3 386.286 3.422 20 0 GGADHM O=C([O-])CSCCNCc1cc(Br)cc(Br)c1 ZINC000417613616 566167542 /nfs/dbraw/zinc/16/75/42/566167542.db2.gz DGHNMSYICOMICY-UHFFFAOYSA-N -1 3 383.105 3.119 20 0 GGADHM Cc1cc(Br)cc(CNCCSCC(=O)[O-])c1OC(F)F ZINC000417612113 566167632 /nfs/dbraw/zinc/16/76/32/566167632.db2.gz BIYGNFKEEDLJPE-UHFFFAOYSA-N -1 3 384.242 3.266 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)NCc1cnn(CC(F)F)c1 ZINC000417626889 566168126 /nfs/dbraw/zinc/16/81/26/566168126.db2.gz UDFVUNKWWQEXOZ-ZDUSSCGKSA-N -1 3 378.206 3.241 20 0 GGADHM COc1cccc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])c1OC ZINC000417630763 566168137 /nfs/dbraw/zinc/16/81/37/566168137.db2.gz RIZLLACNTLETPA-HNNXBMFYSA-N -1 3 394.265 3.252 20 0 GGADHM Cc1ccc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])cc1Br ZINC000417631778 566168278 /nfs/dbraw/zinc/16/82/78/566168278.db2.gz XYFNZWKZPHPTCQ-CQSZACIVSA-N -1 3 386.286 3.422 20 0 GGADHM CC(C)C[C@H](CNCc1ccc(F)cc1I)C(=O)[O-] ZINC000417620457 566168451 /nfs/dbraw/zinc/16/84/51/566168451.db2.gz GCZDPGBTXFMFGP-LLVKDONJSA-N -1 3 379.213 3.267 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417628362 566169026 /nfs/dbraw/zinc/16/90/26/566169026.db2.gz WBIIMUZGFHHVMD-DZGCQCFKSA-N -1 3 390.281 3.371 20 0 GGADHM O=C([O-])[C@H](CNCc1cc(Br)cc2c1OCC2)Oc1ccccc1 ZINC000417642975 566169495 /nfs/dbraw/zinc/16/94/95/566169495.db2.gz YDWYYRLJWBSXIP-INIZCTEOSA-N -1 3 392.249 3.006 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263011030 566169894 /nfs/dbraw/zinc/16/98/94/566169894.db2.gz BUCWVESHMSZGLV-OCCSQVGLSA-N -1 3 392.297 3.486 20 0 GGADHM C[C@@H]([C@H](NCc1ccc(F)cc1I)C(=O)[O-])C1CC1 ZINC000417642332 566169893 /nfs/dbraw/zinc/16/98/93/566169893.db2.gz VAXGSPRODLUMRZ-OQPBUACISA-N -1 3 377.197 3.019 20 0 GGADHM O=C([O-])[C@H]1CC(=O)N(CCNCc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000417634232 566170025 /nfs/dbraw/zinc/17/00/25/566170025.db2.gz VFKJSGQMHFLWQI-ZDUSSCGKSA-N -1 3 378.881 3.091 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000417657301 566170247 /nfs/dbraw/zinc/17/02/47/566170247.db2.gz FLNXHETXWFRGMO-NSHDSACASA-N -1 3 379.787 3.216 20 0 GGADHM CCOC[C@@H](NCc1cc(Br)c(C)c(Br)c1)C(=O)[O-] ZINC000417636481 566170274 /nfs/dbraw/zinc/17/02/74/566170274.db2.gz AECVDXUDSVKXFI-GFCCVEGCSA-N -1 3 395.091 3.099 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(CCSc2ccc(Cl)cc2)CC1 ZINC000263015896 566170734 /nfs/dbraw/zinc/17/07/34/566170734.db2.gz ZIRARPXWODPRJC-INIZCTEOSA-N -1 3 384.929 3.220 20 0 GGADHM CC[C@H](CCNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000417672712 566170679 /nfs/dbraw/zinc/17/06/79/566170679.db2.gz UFAKFHOHAWLSFN-MRVPVSSYSA-N -1 3 380.080 3.197 20 0 GGADHM CC(C)(CCNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000263072766 566172649 /nfs/dbraw/zinc/17/26/49/566172649.db2.gz PYKLXUGZMKZPFH-UHFFFAOYSA-N -1 3 380.080 3.197 20 0 GGADHM CC(C)(CCNCc1c(F)ccc(I)c1F)C(=O)[O-] ZINC000263117256 566174446 /nfs/dbraw/zinc/17/44/46/566174446.db2.gz ZZZGDXJYCUBZNF-UHFFFAOYSA-N -1 3 383.176 3.160 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCN1Cc1ccccn1 ZINC000366970342 566179369 /nfs/dbraw/zinc/17/93/69/566179369.db2.gz QGSRRUYFOGLHHR-OAHLLOKOSA-N -1 3 376.254 3.153 20 0 GGADHM CCc1ccccc1[C@@H](N)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000417901983 566180548 /nfs/dbraw/zinc/18/05/48/566180548.db2.gz OTARRQWSUJJLGR-INIZCTEOSA-N -1 3 392.297 3.216 20 0 GGADHM CC(C)Sc1cccc(Cl)c1CN1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000263475531 566186791 /nfs/dbraw/zinc/18/67/91/566186791.db2.gz FGCYEZZAXPPZMW-CQSZACIVSA-N -1 3 386.945 3.058 20 0 GGADHM C[C@](O)(CNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)[O-] ZINC000263534962 566188338 /nfs/dbraw/zinc/18/83/38/566188338.db2.gz YQUMJWKBUYHJPC-SFHVURJKSA-N -1 3 384.259 3.498 20 0 GGADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(OCC(F)(F)F)nc1 ZINC000182262057 566193095 /nfs/dbraw/zinc/19/30/95/566193095.db2.gz KLXLGTMQMFKYEM-UHFFFAOYSA-N -1 3 386.273 3.241 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000182271108 566193856 /nfs/dbraw/zinc/19/38/56/566193856.db2.gz FDKWRUJRRWFAAT-MRXNPFEDSA-N -1 3 378.222 3.074 20 0 GGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@H]1[C@@H]1CCCO1 ZINC000290887072 566194685 /nfs/dbraw/zinc/19/46/85/566194685.db2.gz BIVYTZOMARRYMG-GJZGRUSLSA-N -1 3 383.286 3.254 20 0 GGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@@H]1[C@H]1CCCO1 ZINC000290887076 566194710 /nfs/dbraw/zinc/19/47/10/566194710.db2.gz BIVYTZOMARRYMG-HUUCEWRRSA-N -1 3 383.286 3.254 20 0 GGADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@@H]1[C@@H]1CCCO1 ZINC000290887082 566195139 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COCCOCCCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418844131 566224781 /nfs/dbraw/zinc/22/47/81/566224781.db2.gz JHLTZFILGBFOKE-UHFFFAOYSA-N -1 3 377.226 3.201 20 0 GGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000182474499 566206258 /nfs/dbraw/zinc/20/62/58/566206258.db2.gz RDNPGZWOZZRLQD-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NOC/C=C/Cl)CC1 ZINC000291141104 566206671 /nfs/dbraw/zinc/20/66/71/566206671.db2.gz XPWGMXLTMCTAOZ-LZCJLJQNSA-N -1 3 388.251 3.090 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1ccc(Br)s1 ZINC000182490255 566207838 /nfs/dbraw/zinc/20/78/38/566207838.db2.gz JFHVUQBNJVMGBK-UHFFFAOYSA-N -1 3 382.345 3.122 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCSC(C)(C)C)cc1Cl ZINC000264215938 566208637 /nfs/dbraw/zinc/20/86/37/566208637.db2.gz UOVGTIRZPREJOO-UHFFFAOYSA-N -1 3 382.910 3.248 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccco1 ZINC000264292200 566211137 /nfs/dbraw/zinc/21/11/37/566211137.db2.gz 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Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1[C@@H](C)O ZINC000291742806 566233486 /nfs/dbraw/zinc/23/34/86/566233486.db2.gz RWUBAUAQVAKZDN-SECBINFHSA-N -1 3 380.413 3.002 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1 ZINC000265244906 566233765 /nfs/dbraw/zinc/23/37/65/566233765.db2.gz HWABMIDRYMDHRP-XMMPIXPASA-N -1 3 381.519 3.463 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000183010123 566234193 /nfs/dbraw/zinc/23/41/93/566234193.db2.gz MLQZXNKXYKDTQM-NEPJUHHUSA-N -1 3 376.444 3.035 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000183010081 566234380 /nfs/dbraw/zinc/23/43/80/566234380.db2.gz MLQZXNKXYKDTQM-VXGBXAGGSA-N -1 3 376.444 3.035 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291782575 566234770 /nfs/dbraw/zinc/23/47/70/566234770.db2.gz WYAHNVRTDYZNEA-JOYOIKCWSA-N -1 3 387.470 3.100 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000183012606 566235105 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O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000368490809 566240400 /nfs/dbraw/zinc/24/04/00/566240400.db2.gz DHINSQQKSBCWFT-BBRMVZONSA-N -1 3 385.291 3.454 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2sc(C)cc2OC(F)F)s1 ZINC000265718356 566240785 /nfs/dbraw/zinc/24/07/85/566240785.db2.gz LFVSCQLRZKKNGB-UHFFFAOYSA-N -1 3 391.421 3.257 20 0 GGADHM O=C([N-]OCC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000368566366 566242113 /nfs/dbraw/zinc/24/21/13/566242113.db2.gz KTQIWVDQHFLEDQ-SNVBAGLBSA-N -1 3 399.196 3.456 20 0 GGADHM O=C(COc1ccc(I)cc1)Nc1ccc([O-])cc1F ZINC000183264120 566242611 /nfs/dbraw/zinc/24/26/11/566242611.db2.gz QDOGHBGOUQRYNR-UHFFFAOYSA-N -1 3 387.148 3.153 20 0 GGADHM CCOC(=O)c1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)n[n-]1 ZINC000183279551 566242467 /nfs/dbraw/zinc/24/24/67/566242467.db2.gz IGNADCODPXIUNI-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM CCOC(=O)c1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)[n-]n1 ZINC000183279551 566242469 /nfs/dbraw/zinc/24/24/69/566242469.db2.gz IGNADCODPXIUNI-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000183260731 566242550 /nfs/dbraw/zinc/24/25/50/566242550.db2.gz OOLRITVCOMHTOO-SNVBAGLBSA-N -1 3 390.889 3.106 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCCc2ccc(Br)s2)n[n-]1 ZINC000183275280 566242722 /nfs/dbraw/zinc/24/27/22/566242722.db2.gz CCUGZPMMKBJYLJ-UHFFFAOYSA-N -1 3 386.271 3.372 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCCc2ccc(Br)s2)[n-]n1 ZINC000183275280 566242725 /nfs/dbraw/zinc/24/27/25/566242725.db2.gz CCUGZPMMKBJYLJ-UHFFFAOYSA-N -1 3 386.271 3.372 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cccs2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000183264065 566242735 /nfs/dbraw/zinc/24/27/35/566242735.db2.gz AEJFPZWWZGMUMF-LBPRGKRZSA-N -1 3 391.301 3.139 20 0 GGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000183297380 566243078 /nfs/dbraw/zinc/24/30/78/566243078.db2.gz SWVUFPXJDALDCK-ZDUSSCGKSA-N -1 3 380.432 3.034 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NCc2ccc(OC)c(OC)c2Cl)ccc1F 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COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000183418623 566246621 /nfs/dbraw/zinc/24/66/21/566246621.db2.gz JFUBEDSAZKEKQH-VIFPVBQESA-N -1 3 389.246 3.031 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000266189072 566246889 /nfs/dbraw/zinc/24/68/89/566246889.db2.gz UINRGBUNIWQIFN-RISCZKNCSA-N -1 3 384.910 3.042 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)s1 ZINC000368994013 566248780 /nfs/dbraw/zinc/24/87/80/566248780.db2.gz XECXSGRSOXAXOX-CQSZACIVSA-N -1 3 394.499 3.059 20 0 GGADHM COc1ccc(CNc2cc(C)n(CC(F)(F)F)n2)c(Br)c1[O-] ZINC000419831084 566250379 /nfs/dbraw/zinc/25/03/79/566250379.db2.gz LELZKBBQTOLOPC-UHFFFAOYSA-N -1 3 394.191 3.265 20 0 GGADHM CCC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000534699444 566251146 /nfs/dbraw/zinc/25/11/46/566251146.db2.gz FTZZUSQWIJUYHM-MRXNPFEDSA-N -1 3 377.238 3.361 20 0 GGADHM CCC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000534699441 566251173 /nfs/dbraw/zinc/25/11/73/566251173.db2.gz FTZZUSQWIJUYHM-INIZCTEOSA-N -1 3 377.238 3.361 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000462124692 566251363 /nfs/dbraw/zinc/25/13/63/566251363.db2.gz GGPUUOXJRDOKKW-ZDUSSCGKSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nnc(C(C)(C)C)[nH]1 ZINC000575107792 566251568 /nfs/dbraw/zinc/25/15/68/566251568.db2.gz ZWAJXILZFNDRJG-UHFFFAOYSA-N -1 3 382.873 3.289 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462129840 566251886 /nfs/dbraw/zinc/25/18/86/566251886.db2.gz HHRRFZIXEILMPU-DOMZBBRYSA-N -1 3 391.436 3.211 20 0 GGADHM CCC(=O)N1CCCC[C@H]1C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419932435 566252295 /nfs/dbraw/zinc/25/22/95/566252295.db2.gz DVDAQXKVZMHZKJ-NSHDSACASA-N -1 3 396.241 3.427 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CC1 ZINC000462132404 566253097 /nfs/dbraw/zinc/25/30/97/566253097.db2.gz VGZQFXKYITTXAB-ZDUSSCGKSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(C)o1 ZINC000534743450 566253115 /nfs/dbraw/zinc/25/31/15/566253115.db2.gz ZRKMJWHTJRUQDW-UHFFFAOYSA-N -1 3 382.791 3.485 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000462131416 566253148 /nfs/dbraw/zinc/25/31/48/566253148.db2.gz AOCIEWKULVAAJF-LSDHHAIUSA-N -1 3 381.295 3.459 20 0 GGADHM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419960361 566254303 /nfs/dbraw/zinc/25/43/03/566254303.db2.gz YDZNPLYEZILPBU-UWVGGRQHSA-N -1 3 385.214 3.220 20 0 GGADHM C[C@H](NC(=O)C1CCCC1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419954310 566254928 /nfs/dbraw/zinc/25/49/28/566254928.db2.gz QXDYSPAGDRFYFT-VIFPVBQESA-N -1 3 396.241 3.331 20 0 GGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1sccc1C ZINC000555859299 566255005 /nfs/dbraw/zinc/25/50/05/566255005.db2.gz DGHYEYUFPBAWMP-UHFFFAOYSA-N -1 3 380.491 3.200 20 0 GGADHM CC(C)[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000555865545 566255032 /nfs/dbraw/zinc/25/50/32/566255032.db2.gz NCXAXIMHLMJLJR-LBPRGKRZSA-N -1 3 375.281 3.359 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)s1 ZINC000575155984 566255040 /nfs/dbraw/zinc/25/50/40/566255040.db2.gz WSLZTLNSTVFAHV-CYBMUJFWSA-N -1 3 388.308 3.369 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)cc1F ZINC000444875965 566256289 /nfs/dbraw/zinc/25/62/89/566256289.db2.gz RDDZBDSDTDNAPH-OAHLLOKOSA-N -1 3 381.450 3.128 20 0 GGADHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481864672 566257172 /nfs/dbraw/zinc/25/71/72/566257172.db2.gz KQFCTUQOOUZSGA-UHFFFAOYSA-N -1 3 381.837 3.003 20 0 GGADHM CCC[C@@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)OCC ZINC000599367613 566257461 /nfs/dbraw/zinc/25/74/61/566257461.db2.gz KEVYNLAUXYNPTM-LBPRGKRZSA-N -1 3 385.507 3.171 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(C)(C)c1ccccc1 ZINC000462161193 566257540 /nfs/dbraw/zinc/25/75/40/566257540.db2.gz CSDCUZMTKCHHAZ-LBPRGKRZSA-N -1 3 383.311 3.489 20 0 GGADHM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000509037870 566257926 /nfs/dbraw/zinc/25/79/26/566257926.db2.gz LQIFUUPKHARHDR-UHFFFAOYSA-N -1 3 382.243 3.443 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481875505 566259940 /nfs/dbraw/zinc/25/99/40/566259940.db2.gz OKOVOYZRZAMNLF-UHFFFAOYSA-N -1 3 381.837 3.171 20 0 GGADHM CC(C)(C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000481903421 566261149 /nfs/dbraw/zinc/26/11/49/566261149.db2.gz ISUZKXPGTJNNEF-UHFFFAOYSA-N -1 3 391.191 3.180 20 0 GGADHM CC(C)(C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000481903421 566261152 /nfs/dbraw/zinc/26/11/52/566261152.db2.gz ISUZKXPGTJNNEF-UHFFFAOYSA-N -1 3 391.191 3.180 20 0 GGADHM CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000481903421 566261156 /nfs/dbraw/zinc/26/11/56/566261156.db2.gz ISUZKXPGTJNNEF-UHFFFAOYSA-N -1 3 391.191 3.180 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1C ZINC000481888061 566261498 /nfs/dbraw/zinc/26/14/98/566261498.db2.gz XUCVBRUZPBBZJA-UHFFFAOYSA-N -1 3 381.837 3.171 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000481885498 566261659 /nfs/dbraw/zinc/26/16/59/566261659.db2.gz RTSWDPUKUKGOAW-UHFFFAOYSA-N -1 3 381.837 3.252 20 0 GGADHM CCN(CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)C1CC1 ZINC000481918916 566262879 /nfs/dbraw/zinc/26/28/79/566262879.db2.gz CTEXMFCHRSFVTR-UHFFFAOYSA-N -1 3 383.880 3.025 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cccnc1OCC(F)F)c1cccs1 ZINC000624977284 566263383 /nfs/dbraw/zinc/26/33/83/566263383.db2.gz MVOOKWZUTUWQCE-UHFFFAOYSA-N -1 3 376.450 3.043 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000481910570 566263490 /nfs/dbraw/zinc/26/34/90/566263490.db2.gz AZNKVQKEFGRVEQ-UHFFFAOYSA-N -1 3 379.169 3.478 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000481910570 566263496 /nfs/dbraw/zinc/26/34/96/566263496.db2.gz AZNKVQKEFGRVEQ-UHFFFAOYSA-N -1 3 379.169 3.478 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000481910570 566263501 /nfs/dbraw/zinc/26/35/01/566263501.db2.gz AZNKVQKEFGRVEQ-UHFFFAOYSA-N -1 3 379.169 3.478 20 0 GGADHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000534904204 566263717 /nfs/dbraw/zinc/26/37/17/566263717.db2.gz PSTAPUQUPRYNRQ-SECBINFHSA-N -1 3 383.825 3.030 20 0 GGADHM Cc1nc(-c2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc2)cs1 ZINC000599426133 566264245 /nfs/dbraw/zinc/26/42/45/566264245.db2.gz CEUDCHIJSQTGAN-UHFFFAOYSA-N -1 3 380.413 3.439 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)c(Cl)c1 ZINC000481924585 566264913 /nfs/dbraw/zinc/26/49/13/566264913.db2.gz PCKQWNUOJOTJCZ-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)c(Cl)c1 ZINC000481924585 566264918 /nfs/dbraw/zinc/26/49/18/566264918.db2.gz PCKQWNUOJOTJCZ-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)c(Cl)c1 ZINC000481924585 566264922 /nfs/dbraw/zinc/26/49/22/566264922.db2.gz PCKQWNUOJOTJCZ-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cccnc2OCC(F)F)sc1C ZINC000624982045 566265424 /nfs/dbraw/zinc/26/54/24/566265424.db2.gz RYTWMWZYPKGLFZ-UHFFFAOYSA-N -1 3 391.465 3.012 20 0 GGADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2OCC(F)F)s1 ZINC000624986789 566265466 /nfs/dbraw/zinc/26/54/66/566265466.db2.gz YFIXOOFTLVNXMQ-SNVBAGLBSA-N -1 3 376.450 3.005 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481928578 566265707 /nfs/dbraw/zinc/26/57/07/566265707.db2.gz SAAFHFRLXXCLOS-MRVPVSSYSA-N -1 3 391.191 3.081 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481928578 566265712 /nfs/dbraw/zinc/26/57/12/566265712.db2.gz SAAFHFRLXXCLOS-MRVPVSSYSA-N -1 3 391.191 3.081 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481928578 566265718 /nfs/dbraw/zinc/26/57/18/566265718.db2.gz SAAFHFRLXXCLOS-MRVPVSSYSA-N -1 3 391.191 3.081 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Br)ccc1Cl ZINC000481927015 566265803 /nfs/dbraw/zinc/26/58/03/566265803.db2.gz YTXUHAVALFUCOB-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Br)ccc1Cl ZINC000481927015 566265806 /nfs/dbraw/zinc/26/58/06/566265806.db2.gz YTXUHAVALFUCOB-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Br)ccc1Cl ZINC000481927015 566265809 /nfs/dbraw/zinc/26/58/09/566265809.db2.gz YTXUHAVALFUCOB-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cnc2ccccc2c1 ZINC000445063358 566265938 /nfs/dbraw/zinc/26/59/38/566265938.db2.gz HZTZUQXXDNZEQV-UHFFFAOYSA-N -1 3 393.262 3.181 20 0 GGADHM CCN(CC)C[C@H](C)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481934650 566266711 /nfs/dbraw/zinc/26/67/11/566266711.db2.gz VLKMTENZKZISMW-JTQLQIEISA-N -1 3 385.896 3.271 20 0 GGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000556055738 566266610 /nfs/dbraw/zinc/26/66/10/566266610.db2.gz YMDGPGNDASCHSZ-JTQLQIEISA-N -1 3 376.309 3.421 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC(=O)N1CCCCC1 ZINC000534979467 566268745 /nfs/dbraw/zinc/26/87/45/566268745.db2.gz XETCDGDKASCKCJ-UHFFFAOYSA-N -1 3 384.885 3.076 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)sc1C ZINC000625028330 566268953 /nfs/dbraw/zinc/26/89/53/566268953.db2.gz NOADUXUWUPIPAZ-UHFFFAOYSA-N -1 3 393.303 3.448 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1F ZINC000462271194 566272251 /nfs/dbraw/zinc/27/22/51/566272251.db2.gz WOCWKLVBUMETIK-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000625072880 566272455 /nfs/dbraw/zinc/27/24/55/566272455.db2.gz JKBJIFLANYBKOZ-LLVKDONJSA-N -1 3 392.290 3.277 20 0 GGADHM C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1Cl ZINC000445217474 566273201 /nfs/dbraw/zinc/27/32/01/566273201.db2.gz PZZGKQAIGXSMLK-SECBINFHSA-N -1 3 388.276 3.251 20 0 GGADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000556184063 566274645 /nfs/dbraw/zinc/27/46/45/566274645.db2.gz PXNXQYUGNLJZBO-SCVCMEIPSA-N -1 3 386.876 3.295 20 0 GGADHM CCN(CC(C)(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000462282212 566275551 /nfs/dbraw/zinc/27/55/51/566275551.db2.gz BNPFMVRMDZUPPW-UHFFFAOYSA-N -1 3 394.534 3.033 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625090334 566275943 /nfs/dbraw/zinc/27/59/43/566275943.db2.gz OZTCRVJBICYAMA-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000625115410 566277677 /nfs/dbraw/zinc/27/76/77/566277677.db2.gz VJJXREYJOZHXMG-QMMMGPOBSA-N -1 3 381.342 3.084 20 0 GGADHM O=S(=O)([N-]CCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F ZINC000462298258 566277988 /nfs/dbraw/zinc/27/79/88/566277988.db2.gz DPIDTYNFYQAROI-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000556256523 566278774 /nfs/dbraw/zinc/27/87/74/566278774.db2.gz NTMUJZUCLCLAAL-UHFFFAOYSA-N -1 3 385.276 3.190 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)c1nccs1 ZINC000625122326 566278892 /nfs/dbraw/zinc/27/88/92/566278892.db2.gz WSSJXYUWLHYICO-SECBINFHSA-N -1 3 393.303 3.435 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625120396 566278934 /nfs/dbraw/zinc/27/89/34/566278934.db2.gz QQLFJPCDNPUFGG-UHFFFAOYSA-N -1 3 382.295 3.238 20 0 GGADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000625124592 566279208 /nfs/dbraw/zinc/27/92/08/566279208.db2.gz ZNNBZJCOQWGUAI-LLVKDONJSA-N -1 3 393.353 3.228 20 0 GGADHM C[C@H](Cc1ccccc1F)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482049881 566279568 /nfs/dbraw/zinc/27/95/68/566279568.db2.gz OJUAKUVYCBIFFS-LLVKDONJSA-N -1 3 391.244 3.411 20 0 GGADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1c(F)cncc1F ZINC000482052632 566279872 /nfs/dbraw/zinc/27/98/72/566279872.db2.gz SWISJCLBIMNKFV-QMMMGPOBSA-N -1 3 396.195 3.075 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)Cc2ccccc2C1 ZINC000462310198 566279889 /nfs/dbraw/zinc/27/98/89/566279889.db2.gz GPEKWOFRDIQFAD-UHFFFAOYSA-N -1 3 399.343 3.371 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cncc(Br)c1)c1nc(C)cs1 ZINC000462312750 566279993 /nfs/dbraw/zinc/27/99/93/566279993.db2.gz DLLRNTQBQBWKOT-ZDUSSCGKSA-N -1 3 390.328 3.213 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Br)cn1)c1nc(C)cs1 ZINC000462303360 566280432 /nfs/dbraw/zinc/28/04/32/566280432.db2.gz QMWIJGZDVFVTRV-ZDUSSCGKSA-N -1 3 390.328 3.213 20 0 GGADHM CCC[C@]1(COC)CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482074138 566280857 /nfs/dbraw/zinc/28/08/57/566280857.db2.gz BQRIOCWMUKMHFY-QGZVFWFLSA-N -1 3 395.301 3.332 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000535149728 566280888 /nfs/dbraw/zinc/28/08/88/566280888.db2.gz RMDQBKBUYRDZHT-OAHLLOKOSA-N -1 3 377.865 3.020 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCOC2(CCCC2)C1 ZINC000482073795 566280980 /nfs/dbraw/zinc/28/09/80/566280980.db2.gz KLPHOBAVWAZEQY-ZDUSSCGKSA-N -1 3 393.285 3.132 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCc2c1cccc2O ZINC000482078302 566281340 /nfs/dbraw/zinc/28/13/40/566281340.db2.gz GELLURZEHOKNOT-AWEZNQCLSA-N -1 3 387.237 3.033 20 0 GGADHM CCC[C@@]1(COC)CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482074137 566281452 /nfs/dbraw/zinc/28/14/52/566281452.db2.gz BQRIOCWMUKMHFY-KRWDZBQOSA-N -1 3 395.301 3.332 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2OC)c1 ZINC000462317111 566281493 /nfs/dbraw/zinc/28/14/93/566281493.db2.gz VCHJXMPUCMVHIR-QZTJIDSGSA-N -1 3 381.881 3.366 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCSCC(C)C ZINC000535149332 566281662 /nfs/dbraw/zinc/28/16/62/566281662.db2.gz RPHRNKQZZLGXHI-UHFFFAOYSA-N -1 3 387.548 3.355 20 0 GGADHM CCOC(=O)c1sc(CNC(=O)c2cc([O-])cc(Br)c2)nc1C ZINC000599639260 566282014 /nfs/dbraw/zinc/28/20/14/566282014.db2.gz AFJFLMZFICFEMW-UHFFFAOYSA-N -1 3 399.266 3.026 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCC2 ZINC000462323636 566282592 /nfs/dbraw/zinc/28/25/92/566282592.db2.gz DBPDXVHDHRTYBZ-ZIAGYGMSSA-N -1 3 381.391 3.471 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC(C)C ZINC000535159518 566282661 /nfs/dbraw/zinc/28/26/61/566282661.db2.gz UGKHGWZRCQQYAZ-HNNXBMFYSA-N -1 3 379.881 3.265 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)CC2CCCCC2)CCCN1c1ccccc1Cl ZINC000462322682 566282754 /nfs/dbraw/zinc/28/27/54/566282754.db2.gz ZLOBXDDMKQTQDU-MRXNPFEDSA-N -1 3 384.929 3.335 20 0 GGADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1cc(F)cc(Cl)c1 ZINC000535159681 566282804 /nfs/dbraw/zinc/28/28/04/566282804.db2.gz HIKJGJIBEMNTIZ-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C12CCC2 ZINC000462321701 566282986 /nfs/dbraw/zinc/28/29/86/566282986.db2.gz NWRSGSMCKJDSJH-ZJUUUORDSA-N -1 3 380.329 3.137 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc2c1OCOC2)c1cc(F)cc(Cl)c1 ZINC000535159682 566283441 /nfs/dbraw/zinc/28/34/41/566283441.db2.gz HOMYFGFJQVEQDO-UHFFFAOYSA-N -1 3 389.807 3.006 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H]1c1cccnc1 ZINC000482083799 566283594 /nfs/dbraw/zinc/28/35/94/566283594.db2.gz NJPAWHSGUHOKGI-HNNXBMFYSA-N -1 3 386.253 3.283 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)N(C)C)c1 ZINC000535157018 566283618 /nfs/dbraw/zinc/28/36/18/566283618.db2.gz XRVJAZOSTQKXRL-KRWDZBQOSA-N -1 3 386.876 3.069 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000535159322 566283691 /nfs/dbraw/zinc/28/36/91/566283691.db2.gz TZUPWFUZFHSKTF-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCC2 ZINC000462323633 566283565 /nfs/dbraw/zinc/28/35/65/566283565.db2.gz DBPDXVHDHRTYBZ-KBPBESRZSA-N -1 3 381.391 3.471 20 0 GGADHM C[C@H](OCCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431414 566283771 /nfs/dbraw/zinc/28/37/71/566283771.db2.gz VVEJUBQNVSKYIL-NSHDSACASA-N -1 3 375.778 3.107 20 0 GGADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1OCCc2sccc21 ZINC000648431238 566283783 /nfs/dbraw/zinc/28/37/83/566283783.db2.gz NKKZPYGDJRHMFS-QPUJVOFHSA-N -1 3 393.818 3.471 20 0 GGADHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113540 566284311 /nfs/dbraw/zinc/28/43/11/566284311.db2.gz LJTMXHPVMBBPBR-KWQFWETISA-N -1 3 391.191 3.323 20 0 GGADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3cccc(Cl)c3F)CC2)nc1 ZINC000462332999 566284371 /nfs/dbraw/zinc/28/43/71/566284371.db2.gz FZFVARDHZYJSSQ-UHFFFAOYSA-N -1 3 383.876 3.130 20 0 GGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509265321 566284735 /nfs/dbraw/zinc/28/47/35/566284735.db2.gz UYDGGRSKNRIZHR-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625154191 566284608 /nfs/dbraw/zinc/28/46/08/566284608.db2.gz TWLPRXDLCOPIFG-VIFPVBQESA-N -1 3 376.347 3.125 20 0 GGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432745 566284545 /nfs/dbraw/zinc/28/45/45/566284545.db2.gz HBFVTVBWJGCAKI-SSDOTTSWSA-N -1 3 383.704 3.205 20 0 GGADHM CO[C@@](C)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1F ZINC000648432251 566284681 /nfs/dbraw/zinc/28/46/81/566284681.db2.gz VGNBXPZKZNSZCT-CQSZACIVSA-N -1 3 379.741 3.160 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000648432607 566284877 /nfs/dbraw/zinc/28/48/77/566284877.db2.gz BGWNCNLURCXWRG-UHFFFAOYSA-N -1 3 378.782 3.208 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCCc1ccccc1F ZINC000482116440 566284782 /nfs/dbraw/zinc/28/47/82/566284782.db2.gz YKZSUZRCKWRQCU-UHFFFAOYSA-N -1 3 391.244 3.412 20 0 GGADHM C[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C(C)(F)F ZINC000556326311 566285288 /nfs/dbraw/zinc/28/52/88/566285288.db2.gz YHGUNIYAQSGCCJ-ZETCQYMHSA-N -1 3 384.807 3.150 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1c(F)cccc1F ZINC000482130128 566285361 /nfs/dbraw/zinc/28/53/61/566285361.db2.gz LIHFHGLHTZYQPR-UHFFFAOYSA-N -1 3 395.207 3.161 20 0 GGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(-c3ccsc3Cl)no2)CC1 ZINC000420504324 566285469 /nfs/dbraw/zinc/28/54/69/566285469.db2.gz QHRODLQLROBAKB-UHFFFAOYSA-N -1 3 375.903 3.450 20 0 GGADHM CCOc1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1Cl ZINC000648432862 566285651 /nfs/dbraw/zinc/28/56/51/566285651.db2.gz KJOBDYDMWXEWNZ-UHFFFAOYSA-N -1 3 383.157 3.220 20 0 GGADHM COc1cc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1OC ZINC000648433156 566285738 /nfs/dbraw/zinc/28/57/38/566285738.db2.gz VIRVKRDGYFLDAL-UHFFFAOYSA-N -1 3 377.750 3.099 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(F)cc1F ZINC000462335662 566286223 /nfs/dbraw/zinc/28/62/23/566286223.db2.gz PDJUTIDPXXQELM-ZDUSSCGKSA-N -1 3 375.418 3.243 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCc2c1cccc2F ZINC000482141859 566286374 /nfs/dbraw/zinc/28/63/74/566286374.db2.gz NMENBYKSCXQBAS-OAHLLOKOSA-N -1 3 389.228 3.467 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(SC)c1)c1ccc(C)c(C)c1 ZINC000509281824 566286906 /nfs/dbraw/zinc/28/69/06/566286906.db2.gz LCOICKMWNBHLMK-KRWDZBQOSA-N -1 3 379.503 3.218 20 0 GGADHM COc1cc(C)cc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482136136 566286984 /nfs/dbraw/zinc/28/69/84/566286984.db2.gz AGWHARNSVVYBFP-UHFFFAOYSA-N -1 3 389.253 3.157 20 0 GGADHM Cn1cccc1[C@H]1CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482134394 566287237 /nfs/dbraw/zinc/28/72/37/566287237.db2.gz WMGFWHDTJWIION-OAHLLOKOSA-N -1 3 388.269 3.226 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1cccc2[nH]ccc21 ZINC000482145467 566287270 /nfs/dbraw/zinc/28/72/70/566287270.db2.gz YSCWYYZTHUQEOU-UHFFFAOYSA-N -1 3 398.264 3.364 20 0 GGADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)s1 ZINC000462342320 566287763 /nfs/dbraw/zinc/28/77/63/566287763.db2.gz BAORRONZKAOPNP-VIFPVBQESA-N -1 3 375.313 3.124 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1cc(F)ccc1F ZINC000462339465 566287846 /nfs/dbraw/zinc/28/78/46/566287846.db2.gz HYVLREICLKXNLA-CYBMUJFWSA-N -1 3 375.418 3.243 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC=C(c2ccco2)C1 ZINC000482165318 566288345 /nfs/dbraw/zinc/28/83/45/566288345.db2.gz COSNVZQDDKPRHP-UHFFFAOYSA-N -1 3 387.237 3.433 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482170737 566288803 /nfs/dbraw/zinc/28/88/03/566288803.db2.gz RQOVVTKBEBVZCM-ZIAGYGMSSA-N -1 3 395.301 3.186 20 0 GGADHM Cc1ccc(OCCNC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000482165310 566289347 /nfs/dbraw/zinc/28/93/47/566289347.db2.gz CNDZINCKOVHBFB-UHFFFAOYSA-N -1 3 389.253 3.028 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000482183892 566290016 /nfs/dbraw/zinc/29/00/16/566290016.db2.gz ICXLPVNKVYICDG-UHFFFAOYSA-N -1 3 392.257 3.126 20 0 GGADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000625219980 566290319 /nfs/dbraw/zinc/29/03/19/566290319.db2.gz KUMHBMWHXXZFKE-UHFFFAOYSA-N -1 3 393.305 3.213 20 0 GGADHM CS[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)(C)C ZINC000482179396 566290715 /nfs/dbraw/zinc/29/07/15/566290715.db2.gz ATMYQQPTZBAJIV-LBPRGKRZSA-N -1 3 385.331 3.418 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1cccs1 ZINC000420643164 566291248 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Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)cs1 ZINC000420648249 566292146 /nfs/dbraw/zinc/29/21/46/566292146.db2.gz NBZBYGYLFJCQJN-UHFFFAOYSA-N -1 3 382.841 3.227 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000482211186 566292005 /nfs/dbraw/zinc/29/20/05/566292005.db2.gz ODYIQISROWZJML-CJNGLKHVSA-N -1 3 385.265 3.271 20 0 GGADHM C[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)Oc1ccccc1 ZINC000482199423 566292115 /nfs/dbraw/zinc/29/21/15/566292115.db2.gz KMNPRXQOULPHHS-LBPRGKRZSA-N -1 3 389.253 3.108 20 0 GGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000482209936 566292894 /nfs/dbraw/zinc/29/28/94/566292894.db2.gz KXHNYKLSATYJQE-GHMZBOCLSA-N -1 3 378.947 3.011 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625227676 566293147 /nfs/dbraw/zinc/29/31/47/566293147.db2.gz FMWRFIISUHZJCT-UHFFFAOYSA-N -1 3 391.262 3.234 20 0 GGADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1ccsc1Br ZINC000509344828 566293264 /nfs/dbraw/zinc/29/32/64/566293264.db2.gz ONLTZEVBFWEGEH-UHFFFAOYSA-N -1 3 387.280 3.271 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)C2CC2)s1 ZINC000462391204 566294115 /nfs/dbraw/zinc/29/41/15/566294115.db2.gz CZMAQOAIPZCCHM-LBPRGKRZSA-N -1 3 388.312 3.039 20 0 GGADHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420664424 566294199 /nfs/dbraw/zinc/29/41/99/566294199.db2.gz FHFNOFJRIUEHGR-VIFPVBQESA-N -1 3 399.843 3.340 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420665513 566294221 /nfs/dbraw/zinc/29/42/21/566294221.db2.gz BFPBEOMZBZFAGM-XOKHGSTOSA-N -1 3 393.908 3.290 20 0 GGADHM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599763640 566294654 /nfs/dbraw/zinc/29/46/54/566294654.db2.gz USGJEHKUKUHRPS-LBPRGKRZSA-N -1 3 384.270 3.349 20 0 GGADHM Cc1ccc2[nH]c(CNC(=O)N=c3cc4ccc(Br)cn4[n-]3)nc2c1 ZINC000482232927 566294864 /nfs/dbraw/zinc/29/48/64/566294864.db2.gz PUYDGSRXCZFBIH-UHFFFAOYSA-N -1 3 399.252 3.025 20 0 GGADHM Cc1ccc2nc(CNC(=O)N=c3cc4ccc(Br)cn4[n-]3)[nH]c2c1 ZINC000482232927 566294869 /nfs/dbraw/zinc/29/48/69/566294869.db2.gz PUYDGSRXCZFBIH-UHFFFAOYSA-N -1 3 399.252 3.025 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)cs1 ZINC000420663172 566295137 /nfs/dbraw/zinc/29/51/37/566295137.db2.gz CHCLHRCBCLQQCE-MRVPVSSYSA-N -1 3 396.412 3.070 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccc(Cl)s2)on1 ZINC000482236129 566295652 /nfs/dbraw/zinc/29/56/52/566295652.db2.gz SLQZNMKQQHPBKO-UHFFFAOYSA-N -1 3 377.735 3.123 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000482236129 566295655 /nfs/dbraw/zinc/29/56/55/566295655.db2.gz SLQZNMKQQHPBKO-UHFFFAOYSA-N -1 3 377.735 3.123 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccc(Cl)s2)on1 ZINC000482236129 566295658 /nfs/dbraw/zinc/29/56/58/566295658.db2.gz SLQZNMKQQHPBKO-UHFFFAOYSA-N -1 3 377.735 3.123 20 0 GGADHM O=S(=O)([N-]CCOc1cccc(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000535332761 566296116 /nfs/dbraw/zinc/29/61/16/566296116.db2.gz TXTREEPXZIYVQX-UHFFFAOYSA-N -1 3 386.804 3.173 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000420672776 566296028 /nfs/dbraw/zinc/29/60/28/566296028.db2.gz KNFJAENUKHOEEQ-SJORKVTESA-N -1 3 380.535 3.080 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCOC1CCCCCC1 ZINC000482248456 566296543 /nfs/dbraw/zinc/29/65/43/566296543.db2.gz YUNIGQKQWQXMLR-UHFFFAOYSA-N -1 3 395.301 3.380 20 0 GGADHM CC(C)(C)OC1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482246305 566296586 /nfs/dbraw/zinc/29/65/86/566296586.db2.gz UYHOHUZNKCZYPB-UHFFFAOYSA-N -1 3 395.301 3.330 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000420670210 566296984 /nfs/dbraw/zinc/29/69/84/566296984.db2.gz HICMZMXFWUYRSA-DLBZAZTESA-N -1 3 380.535 3.080 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000420672772 566297087 /nfs/dbraw/zinc/29/70/87/566297087.db2.gz KNFJAENUKHOEEQ-DLBZAZTESA-N -1 3 380.535 3.080 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000462408869 566297431 /nfs/dbraw/zinc/29/74/31/566297431.db2.gz OOIVRDHYHQOWLL-AWEZNQCLSA-N -1 3 379.787 3.423 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625249496 566297466 /nfs/dbraw/zinc/29/74/66/566297466.db2.gz XUNPILKFTNKVRG-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Br)CCC2)c1cccc2c1OCO2 ZINC000509391705 566297858 /nfs/dbraw/zinc/29/78/58/566297858.db2.gz KWTIMQWKZAEJBT-UHFFFAOYSA-N -1 3 396.262 3.467 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420680292 566298771 /nfs/dbraw/zinc/29/87/71/566298771.db2.gz VYVUBDLKPNMOGT-LLVKDONJSA-N -1 3 376.400 3.065 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420680295 566298885 /nfs/dbraw/zinc/29/88/85/566298885.db2.gz VYVUBDLKPNMOGT-NSHDSACASA-N -1 3 376.400 3.065 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1cc(Cl)ccc1OC(F)F ZINC000420678846 566299050 /nfs/dbraw/zinc/29/90/50/566299050.db2.gz 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GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCC1 ZINC000420690991 566302154 /nfs/dbraw/zinc/30/21/54/566302154.db2.gz PYQHEUPADQSHEH-LLVKDONJSA-N -1 3 397.871 3.409 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)s1 ZINC000462438935 566302496 /nfs/dbraw/zinc/30/24/96/566302496.db2.gz GEVAHGKVHFRYRG-QWRGUYRKSA-N -1 3 395.388 3.218 20 0 GGADHM CCC(CC)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000669428589 566302504 /nfs/dbraw/zinc/30/25/04/566302504.db2.gz YBMFSTOYDMYFBC-UHFFFAOYSA-N -1 3 378.897 3.090 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C)c1OC ZINC000509421074 566302708 /nfs/dbraw/zinc/30/27/08/566302708.db2.gz PEJUMTNFVLLYLR-NSHDSACASA-N -1 3 390.933 3.201 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420697747 566302685 /nfs/dbraw/zinc/30/26/85/566302685.db2.gz ZTEBPCYTUIJGLJ-OCCSQVGLSA-N -1 3 381.416 3.299 20 0 GGADHM O=S(=O)([N-][C@H]1COCc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000575972412 566303180 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C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)N1CCCC[C@@H]1C ZINC000462440422 566304342 /nfs/dbraw/zinc/30/43/42/566304342.db2.gz KPWYTDRNBYAMPP-NWDGAFQWSA-N -1 3 393.322 3.129 20 0 GGADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cn1 ZINC000462441238 566304525 /nfs/dbraw/zinc/30/45/25/566304525.db2.gz OSFPMRIDXJMMRY-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445703370 566304900 /nfs/dbraw/zinc/30/49/00/566304900.db2.gz XXTXFJBIOWMAPI-NSHDSACASA-N -1 3 387.807 3.382 20 0 GGADHM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625307967 566305350 /nfs/dbraw/zinc/30/53/50/566305350.db2.gz AXASWWSECPEWPC-KRWDZBQOSA-N -1 3 380.897 3.452 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)cs1 ZINC000599941470 566306176 /nfs/dbraw/zinc/30/61/76/566306176.db2.gz WCLYAWRKTFGYMB-UHFFFAOYSA-N -1 3 398.282 3.107 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000535456751 566306674 /nfs/dbraw/zinc/30/66/74/566306674.db2.gz YVKUAJQQSQERCE-SWLSCSKDSA-N -1 3 379.400 3.106 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1)OC ZINC000420712489 566306846 /nfs/dbraw/zinc/30/68/46/566306846.db2.gz STRVLIFUCPLJNE-IRXDYDNUSA-N -1 3 375.918 3.152 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000509462407 566307044 /nfs/dbraw/zinc/30/70/44/566307044.db2.gz JEVPQEKNGPIIEP-QMMMGPOBSA-N -1 3 387.807 3.367 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1)OC ZINC000420712490 566307053 /nfs/dbraw/zinc/30/70/53/566307053.db2.gz STRVLIFUCPLJNE-SJORKVTESA-N -1 3 375.918 3.152 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)s1 ZINC000445720970 566307404 /nfs/dbraw/zinc/30/74/04/566307404.db2.gz FDGZKWXPDNLWQR-UHFFFAOYSA-N -1 3 384.335 3.186 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462468566 566307374 /nfs/dbraw/zinc/30/73/74/566307374.db2.gz NTNSINKDCATJEE-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000420714643 566307357 /nfs/dbraw/zinc/30/73/57/566307357.db2.gz FVCYOCHVIWHUDM-UHFFFAOYSA-N -1 3 386.926 3.437 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(CSC)c1 ZINC000445733255 566308511 /nfs/dbraw/zinc/30/85/11/566308511.db2.gz JXNNIHXEXHLAMF-UHFFFAOYSA-N -1 3 399.921 3.468 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1cccc(Cl)c1Br ZINC000420720163 566308646 /nfs/dbraw/zinc/30/86/46/566308646.db2.gz RYBZROIBDVJZEW-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3cccc(Br)c3)CC2)n1 ZINC000556507421 566308735 /nfs/dbraw/zinc/30/87/35/566308735.db2.gz ATXRXJZDVYZTPM-CYBMUJFWSA-N -1 3 377.286 3.136 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(F)cc2)s1 ZINC000462477379 566309347 /nfs/dbraw/zinc/30/93/47/566309347.db2.gz YVVLZSTZIZRWTO-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccc(F)c2)s1 ZINC000462477300 566309383 /nfs/dbraw/zinc/30/93/83/566309383.db2.gz YHKZYMZEFWUFMD-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCCCC(C)(C)C)c1OC ZINC000509482560 566309451 /nfs/dbraw/zinc/30/94/51/566309451.db2.gz DTGNRYYYQOJHQV-UHFFFAOYSA-N -1 3 390.933 3.203 20 0 GGADHM CCSCCCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000445742078 566310216 /nfs/dbraw/zinc/31/02/16/566310216.db2.gz SEVKTFWUWGUNEJ-LLVKDONJSA-N -1 3 389.930 3.448 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1C1CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000535532341 566310269 /nfs/dbraw/zinc/31/02/69/566310269.db2.gz HRZJXZQGQZKTAO-ZFWWWQNUSA-N -1 3 384.910 3.309 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC000462484775 566310943 /nfs/dbraw/zinc/31/09/43/566310943.db2.gz LHOSQHVHJITKFM-WFASDCNBSA-N -1 3 384.270 3.498 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)[C@@H]2CCCO[C@H]21 ZINC000462482879 566311373 /nfs/dbraw/zinc/31/13/73/566311373.db2.gz BTZFPEQSGCFWDJ-ZLKJLUDKSA-N -1 3 392.290 3.070 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1OC(F)F ZINC000420733692 566311521 /nfs/dbraw/zinc/31/15/21/566311521.db2.gz TUOOAUVYTQZEMX-SNVBAGLBSA-N -1 3 389.807 3.396 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2ccc(F)cc21)c1ccc(F)cc1Cl ZINC000509521797 566312024 /nfs/dbraw/zinc/31/20/24/566312024.db2.gz GYVFEZSBRHVNKT-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000509515414 566312060 /nfs/dbraw/zinc/31/20/60/566312060.db2.gz JFHSBYAZWAIQQX-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@@H]2CCCO[C@H]21 ZINC000462494073 566312069 /nfs/dbraw/zinc/31/20/69/566312069.db2.gz XHDQNLXHWSOIEY-ZLKJLUDKSA-N -1 3 381.391 3.326 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@H]2CCCO[C@@H]21 ZINC000462491310 566312434 /nfs/dbraw/zinc/31/24/34/566312434.db2.gz DPMSAXXPPQYFHD-BMFZPTHFSA-N -1 3 378.519 3.292 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCN1C ZINC000462491078 566312492 /nfs/dbraw/zinc/31/24/92/566312492.db2.gz QMXCXVMFBZWYCU-SMDDNHRTSA-N -1 3 385.942 3.225 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(F)cc1Br ZINC000462498703 566312550 /nfs/dbraw/zinc/31/25/50/566312550.db2.gz FFYFZRYRQLIGMB-WFASDCNBSA-N -1 3 384.270 3.498 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccc(CC)s2)cs1 ZINC000535580635 566313148 /nfs/dbraw/zinc/31/31/48/566313148.db2.gz RGYGYEDOLOYECC-UHFFFAOYSA-N -1 3 387.552 3.092 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCN1C ZINC000462491074 566312864 /nfs/dbraw/zinc/31/28/64/566312864.db2.gz QMXCXVMFBZWYCU-BXUZGUMPSA-N -1 3 385.942 3.225 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)CC(C)C ZINC000462493377 566312917 /nfs/dbraw/zinc/31/29/17/566312917.db2.gz IPOGNLLESRCERW-JTQLQIEISA-N -1 3 398.308 3.116 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@H]2CCCO[C@H]21 ZINC000462491311 566313122 /nfs/dbraw/zinc/31/31/22/566313122.db2.gz DPMSAXXPPQYFHD-FVQBIDKESA-N -1 3 378.519 3.292 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCN1C ZINC000462491076 566313255 /nfs/dbraw/zinc/31/32/55/566313255.db2.gz QMXCXVMFBZWYCU-FZMZJTMJSA-N -1 3 385.942 3.225 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@H]2CCCO[C@@H]21 ZINC000462494071 566313323 /nfs/dbraw/zinc/31/33/23/566313323.db2.gz XHDQNLXHWSOIEY-HONMWMINSA-N -1 3 381.391 3.326 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC(F)F)c1ccccc1 ZINC000420738781 566313740 /nfs/dbraw/zinc/31/37/40/566313740.db2.gz NXIWYSRWARAFHV-LLVKDONJSA-N -1 3 375.418 3.210 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)s1 ZINC000462504790 566314190 /nfs/dbraw/zinc/31/41/90/566314190.db2.gz NZWBXIPSPJVAMP-NSHDSACASA-N -1 3 395.388 3.218 20 0 GGADHM O=S(=O)([N-][C@@H]([C@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000420752025 566314477 /nfs/dbraw/zinc/31/44/77/566314477.db2.gz PMIQAQDFJTYNGO-IUODEOHRSA-N -1 3 395.855 3.017 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1=Cc2cc(Br)ccc2OC1 ZINC000535632794 566315216 /nfs/dbraw/zinc/31/52/16/566315216.db2.gz XYPVFPQWTBUCNB-UHFFFAOYSA-N -1 3 398.220 3.044 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1=Cc2cc(Br)ccc2OC1 ZINC000535632794 566315219 /nfs/dbraw/zinc/31/52/19/566315219.db2.gz XYPVFPQWTBUCNB-UHFFFAOYSA-N -1 3 398.220 3.044 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1=Cc2cc(Br)ccc2OC1 ZINC000535632794 566315222 /nfs/dbraw/zinc/31/52/22/566315222.db2.gz XYPVFPQWTBUCNB-UHFFFAOYSA-N -1 3 398.220 3.044 20 0 GGADHM Cc1ccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)n1 ZINC000669618700 566315303 /nfs/dbraw/zinc/31/53/03/566315303.db2.gz OIIWCKOZXIIPAU-GFCCVEGCSA-N -1 3 385.892 3.120 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1ccc(Br)cn1 ZINC000462513380 566315691 /nfs/dbraw/zinc/31/56/91/566315691.db2.gz MXYPZKWBQRBTDH-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM Cc1nc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)s1 ZINC000669618721 566315924 /nfs/dbraw/zinc/31/59/24/566315924.db2.gz YZNAGWVVWWQMMA-VIFPVBQESA-N -1 3 391.921 3.182 20 0 GGADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nn1 ZINC000420754643 566316476 /nfs/dbraw/zinc/31/64/76/566316476.db2.gz ATXCOZJXBHENOZ-UHFFFAOYSA-N -1 3 377.297 3.379 20 0 GGADHM COC1([C@H](C)[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOCC1 ZINC000420755217 566316571 /nfs/dbraw/zinc/31/65/71/566316571.db2.gz BSJYOHXBVHROOG-NSHDSACASA-N -1 3 389.926 3.417 20 0 GGADHM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000509571128 566316634 /nfs/dbraw/zinc/31/66/34/566316634.db2.gz QKFHPEHQLZIKQI-UHFFFAOYSA-N -1 3 385.848 3.155 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)s1 ZINC000462537933 566318677 /nfs/dbraw/zinc/31/86/77/566318677.db2.gz QDWVALSHHFGWNN-ZCFIWIBFSA-N -1 3 396.250 3.065 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)c(Cl)c1Cl ZINC000462534861 566318915 /nfs/dbraw/zinc/31/89/15/566318915.db2.gz GPFUXPPYWOLRRQ-ZETCQYMHSA-N -1 3 396.214 3.248 20 0 GGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000509599221 566319037 /nfs/dbraw/zinc/31/90/37/566319037.db2.gz IDTWUQIJXHQTOV-UHFFFAOYSA-N -1 3 391.287 3.184 20 0 GGADHM COCCCOc1ccc(C[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000509604168 566319689 /nfs/dbraw/zinc/31/96/89/566319689.db2.gz MLWLSEJIYHGQCE-UHFFFAOYSA-N -1 3 381.519 3.302 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)CN2CCCCC2)s1 ZINC000462541572 566320377 /nfs/dbraw/zinc/32/03/77/566320377.db2.gz FEIXWGPVYRYXLN-LLVKDONJSA-N -1 3 395.388 3.219 20 0 GGADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462543415 566320573 /nfs/dbraw/zinc/32/05/73/566320573.db2.gz TZGAVJZPAGNPLJ-XHDPSFHLSA-N -1 3 394.306 3.462 20 0 GGADHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462545701 566320600 /nfs/dbraw/zinc/32/06/00/566320600.db2.gz CUGIUIZXTUIBIV-QMMMGPOBSA-N -1 3 381.322 3.128 20 0 GGADHM COCCN(C(=O)Cc1ccc(Br)cc1[O-])[C@@H]1CCCSC1 ZINC000509607227 566321017 /nfs/dbraw/zinc/32/10/17/566321017.db2.gz WDTVWNZUWWZFFT-CQSZACIVSA-N -1 3 388.327 3.068 20 0 GGADHM CCCC[C@@H](CCC)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000482616556 566320983 /nfs/dbraw/zinc/32/09/83/566320983.db2.gz VBWXTILXAIWVTL-CYBMUJFWSA-N -1 3 376.469 3.108 20 0 GGADHM CN1CCCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000625422860 566320984 /nfs/dbraw/zinc/32/09/84/566320984.db2.gz UVFJIVRSGLKKFF-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)s1 ZINC000669675404 566321038 /nfs/dbraw/zinc/32/10/38/566321038.db2.gz SJFFOXHBRBISBL-ZYHUDNBSSA-N -1 3 380.482 3.049 20 0 GGADHM CCCN(C)[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000509615617 566321325 /nfs/dbraw/zinc/32/13/25/566321325.db2.gz GVUGQNQXAYXEAP-MRXNPFEDSA-N -1 3 385.917 3.306 20 0 GGADHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)s2)nc1 ZINC000625416529 566321639 /nfs/dbraw/zinc/32/16/39/566321639.db2.gz QZTNHZDCAPMPEJ-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000509631968 566322875 /nfs/dbraw/zinc/32/28/75/566322875.db2.gz IYDCOYXKAOQJMP-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H](C)CC ZINC000462566853 566323861 /nfs/dbraw/zinc/32/38/61/566323861.db2.gz VEGPCKOFHJQEIJ-SWLSCSKDSA-N -1 3 382.507 3.066 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cccc(Br)c2F)n1 ZINC000509642563 566324478 /nfs/dbraw/zinc/32/44/78/566324478.db2.gz TYCWBJCFCAMGGS-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM COC(=O)[C@H]1CN(Cc2cccc([O-])c2Br)Cc2ccccc21 ZINC000600216043 566324949 /nfs/dbraw/zinc/32/49/49/566324949.db2.gz QZPLHCAJKIRMGB-HNNXBMFYSA-N -1 3 376.250 3.427 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H](C)CC ZINC000462568376 566325312 /nfs/dbraw/zinc/32/53/12/566325312.db2.gz YEFZWLCVFOBHJD-TVQRCGJNSA-N -1 3 385.379 3.101 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000446074273 566327968 /nfs/dbraw/zinc/32/79/68/566327968.db2.gz RDBDKEUWMDWZNT-UHFFFAOYSA-N -1 3 392.181 3.008 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)[C@H](C)CC ZINC000462584861 566328324 /nfs/dbraw/zinc/32/83/24/566328324.db2.gz OUMHBVRRJWJMBG-YMTOWFKASA-N -1 3 398.308 3.258 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)cc1OC ZINC000462589475 566328996 /nfs/dbraw/zinc/32/89/96/566328996.db2.gz DROKEUCFNFMVCH-GFCCVEGCSA-N -1 3 385.482 3.302 20 0 GGADHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Br)c1 ZINC000482762871 566331372 /nfs/dbraw/zinc/33/13/72/566331372.db2.gz YQZDFNDWNBNNNC-ZETCQYMHSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000482762871 566331375 /nfs/dbraw/zinc/33/13/75/566331375.db2.gz YQZDFNDWNBNNNC-ZETCQYMHSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Br)c1 ZINC000482762871 566331381 /nfs/dbraw/zinc/33/13/81/566331381.db2.gz YQZDFNDWNBNNNC-ZETCQYMHSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Br)c1 ZINC000482762870 566331626 /nfs/dbraw/zinc/33/16/26/566331626.db2.gz YQZDFNDWNBNNNC-SSDOTTSWSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000482762870 566331631 /nfs/dbraw/zinc/33/16/31/566331631.db2.gz YQZDFNDWNBNNNC-SSDOTTSWSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Br)c1 ZINC000482762870 566331636 /nfs/dbraw/zinc/33/16/36/566331636.db2.gz YQZDFNDWNBNNNC-SSDOTTSWSA-N -1 3 392.179 3.146 20 0 GGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000509703187 566331683 /nfs/dbraw/zinc/33/16/83/566331683.db2.gz AJRQXGLDUVYCPF-HNNXBMFYSA-N -1 3 392.279 3.328 20 0 GGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000509703190 566331933 /nfs/dbraw/zinc/33/19/33/566331933.db2.gz AJRQXGLDUVYCPF-OAHLLOKOSA-N -1 3 392.279 3.328 20 0 GGADHM Cc1ccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)n1 ZINC000669851912 566332077 /nfs/dbraw/zinc/33/20/77/566332077.db2.gz JVXWPLFOXHEAMV-GFCCVEGCSA-N -1 3 385.892 3.120 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)c1 ZINC000509730575 566332891 /nfs/dbraw/zinc/33/28/91/566332891.db2.gz SSSQIDYSKYMUIX-SNVBAGLBSA-N -1 3 386.832 3.090 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)Sc1ccccc1 ZINC000462610297 566333781 /nfs/dbraw/zinc/33/37/81/566333781.db2.gz DEGAONXZHWBJBU-NSHDSACASA-N -1 3 387.324 3.303 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccsc1 ZINC000669900866 566335326 /nfs/dbraw/zinc/33/53/26/566335326.db2.gz JNTPVRQGGIWUGF-WBMJQRKESA-N -1 3 384.498 3.068 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cccc(Br)c1F ZINC000556824870 566335639 /nfs/dbraw/zinc/33/56/39/566335639.db2.gz ZVOSLWMWTHLELC-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCSCC(C)C)c1 ZINC000535899146 566336963 /nfs/dbraw/zinc/33/69/63/566336963.db2.gz YPUFDHXVCDRDBW-UHFFFAOYSA-N -1 3 382.345 3.125 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1ccc(F)cc1Br ZINC000556824868 566336280 /nfs/dbraw/zinc/33/62/80/566336280.db2.gz ZAFUXAMLNCUHCW-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)c1Cl ZINC000535900106 566336847 /nfs/dbraw/zinc/33/68/47/566336847.db2.gz JEESQQCDGBBPFJ-CQSZACIVSA-N -1 3 388.316 3.431 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCO1 ZINC000535897175 566336935 /nfs/dbraw/zinc/33/69/35/566336935.db2.gz KICLXQXCMKMCOH-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000535897989 566337117 /nfs/dbraw/zinc/33/71/17/566337117.db2.gz VUNJIQQUPKKDOF-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cncc(F)c1 ZINC000509784152 566337495 /nfs/dbraw/zinc/33/74/95/566337495.db2.gz VKGICZUJDONHTE-KRWDZBQOSA-N -1 3 384.860 3.320 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)on1 ZINC000509783186 566337961 /nfs/dbraw/zinc/33/79/61/566337961.db2.gz PREMQUNFYSEYEM-QGZVFWFLSA-N -1 3 384.885 3.224 20 0 GGADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2sccc2C)n1 ZINC000462663000 566338114 /nfs/dbraw/zinc/33/81/14/566338114.db2.gz SXLGJKILZCEJBM-LLVKDONJSA-N -1 3 379.463 3.155 20 0 GGADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1cc(F)cc(Cl)c1 ZINC000535915428 566338179 /nfs/dbraw/zinc/33/81/79/566338179.db2.gz SVQBGVLERPXKQI-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000576347824 566338397 /nfs/dbraw/zinc/33/83/97/566338397.db2.gz HDYVFXFWXWUHBW-ZDUSSCGKSA-N -1 3 386.677 3.300 20 0 GGADHM O=C(NCCc1cccc(Cl)c1Cl)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482862700 566338864 /nfs/dbraw/zinc/33/88/64/566338864.db2.gz SNYMFHIRQBIQNJ-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM O=C(NCCc1cccc(Cl)c1Cl)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482862700 566338871 /nfs/dbraw/zinc/33/88/71/566338871.db2.gz SNYMFHIRQBIQNJ-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM O=C(NCCc1cccc(Cl)c1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482862700 566338876 /nfs/dbraw/zinc/33/88/76/566338876.db2.gz SNYMFHIRQBIQNJ-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N=c1[nH][n-]cc1Br ZINC000556882952 566339789 /nfs/dbraw/zinc/33/97/89/566339789.db2.gz DYQXRDQTVHJOAN-UHFFFAOYSA-N -1 3 388.269 3.330 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462675549 566339976 /nfs/dbraw/zinc/33/99/76/566339976.db2.gz IZGNCBGXKCDGHV-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cc2cc(Br)ccc2[nH]1 ZINC000556894272 566341545 /nfs/dbraw/zinc/34/15/45/566341545.db2.gz SLIONMCNSIVLCL-UHFFFAOYSA-N -1 3 384.031 3.090 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CN1C1CC1 ZINC000509861913 566342131 /nfs/dbraw/zinc/34/21/31/566342131.db2.gz DIJNOMQGVQKRAW-GXSJLCMTSA-N -1 3 382.835 3.262 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CN1C1CC1 ZINC000509861914 566342556 /nfs/dbraw/zinc/34/25/56/566342556.db2.gz DIJNOMQGVQKRAW-KOLCDFICSA-N -1 3 382.835 3.262 20 0 GGADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1occ2c1CCC2 ZINC000509854624 566343010 /nfs/dbraw/zinc/34/30/10/566343010.db2.gz OZNFYOLTULQOAB-UHFFFAOYSA-N -1 3 387.237 3.423 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000625627976 566344194 /nfs/dbraw/zinc/34/41/94/566344194.db2.gz YMNHDXUWIONGDW-CQSZACIVSA-N -1 3 392.308 3.173 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccc(F)cc1 ZINC000462705046 566344338 /nfs/dbraw/zinc/34/43/38/566344338.db2.gz PZLHCNZERCPNJZ-VIFPVBQESA-N -1 3 394.287 3.396 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c2nccn21 ZINC000576435671 566344522 /nfs/dbraw/zinc/34/45/22/566344522.db2.gz ZSOCYAINMWEKMF-LDYMZIIASA-N -1 3 390.690 3.283 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000625629691 566345517 /nfs/dbraw/zinc/34/55/17/566345517.db2.gz WTRKVJQRESAHIN-CYBMUJFWSA-N -1 3 379.265 3.000 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000462710841 566345758 /nfs/dbraw/zinc/34/57/58/566345758.db2.gz GVDZDLNXXXKEIN-ZDUSSCGKSA-N -1 3 388.272 3.229 20 0 GGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462712590 566345839 /nfs/dbraw/zinc/34/58/39/566345839.db2.gz XZMDIKSIJRCGOG-WDEREUQCSA-N -1 3 392.315 3.339 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)CC)cc1 ZINC000462710861 566345884 /nfs/dbraw/zinc/34/58/84/566345884.db2.gz GYSXRAPCPUZABG-HUUCEWRRSA-N -1 3 390.571 3.331 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 ZINC000462710181 566346746 /nfs/dbraw/zinc/34/67/46/566346746.db2.gz XSTKOHPOTKYCGE-SMDDNHRTSA-N -1 3 399.299 3.466 20 0 GGADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1ccoc1 ZINC000509906957 566346788 /nfs/dbraw/zinc/34/67/88/566346788.db2.gz APRKALMUVIBIOP-AWEZNQCLSA-N -1 3 392.260 3.039 20 0 GGADHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000556940107 566347616 /nfs/dbraw/zinc/34/76/16/566347616.db2.gz ONBKFPYJTFBAGU-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1cc(SC)ccc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000446379251 566348013 /nfs/dbraw/zinc/34/80/13/566348013.db2.gz NNPACMZIZSTOCK-UHFFFAOYSA-N -1 3 384.454 3.180 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccccc1Br ZINC000421144875 566348994 /nfs/dbraw/zinc/34/89/94/566348994.db2.gz WOZFNGFHXPZUGY-CQSZACIVSA-N -1 3 384.295 3.449 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1)OC ZINC000421149376 566349987 /nfs/dbraw/zinc/34/99/87/566349987.db2.gz FRMKKXCQBGGCTA-OAHLLOKOSA-N -1 3 381.523 3.411 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1)OC ZINC000421149437 566350060 /nfs/dbraw/zinc/35/00/60/566350060.db2.gz GAOQSPLZXVCSDB-LBPRGKRZSA-N -1 3 386.857 3.352 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccccc1Br ZINC000421144871 566350143 /nfs/dbraw/zinc/35/01/43/566350143.db2.gz WOZFNGFHXPZUGY-AWEZNQCLSA-N -1 3 384.295 3.449 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1 ZINC000421156913 566351376 /nfs/dbraw/zinc/35/13/76/566351376.db2.gz QQJAZTRHXWPJHR-CYBMUJFWSA-N -1 3 376.906 3.491 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1)OC ZINC000421158232 566351677 /nfs/dbraw/zinc/35/16/77/566351677.db2.gz UJGWSBACDZFQIL-HNNXBMFYSA-N -1 3 384.885 3.481 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccnc(Sc2ccccn2)c1 ZINC000421156728 566351851 /nfs/dbraw/zinc/35/18/51/566351851.db2.gz POWZMWAZNYJRHM-HNNXBMFYSA-N -1 3 381.523 3.431 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1)OC ZINC000421153390 566352001 /nfs/dbraw/zinc/35/20/01/566352001.db2.gz LMFBGOCZJKVBTE-ZDUSSCGKSA-N -1 3 378.947 3.060 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1=Cc2cc(Br)ccc2OC1 ZINC000556981760 566352454 /nfs/dbraw/zinc/35/24/54/566352454.db2.gz JETJNICCWICPNP-UHFFFAOYSA-N -1 3 398.220 3.044 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1=Cc2cc(Br)ccc2OC1 ZINC000556981760 566352467 /nfs/dbraw/zinc/35/24/67/566352467.db2.gz JETJNICCWICPNP-UHFFFAOYSA-N -1 3 398.220 3.044 20 0 GGADHM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000536130336 566353552 /nfs/dbraw/zinc/35/35/52/566353552.db2.gz MVZJUEPSCSMBLA-UHFFFAOYSA-N -1 3 398.849 3.243 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000536135979 566353658 /nfs/dbraw/zinc/35/36/58/566353658.db2.gz KPBMUCRDMTTYHP-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)CCS2)OC ZINC000421165836 566353941 /nfs/dbraw/zinc/35/39/41/566353941.db2.gz NWMQIJPELJLKHT-GFCCVEGCSA-N -1 3 380.482 3.031 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510002733 566355247 /nfs/dbraw/zinc/35/52/47/566355247.db2.gz OHCIRCFZLPVUGE-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM O=C([N-]c1cc(-c2cccs2)on1)c1nc(N2CCCC2)ncc1Cl ZINC000649237273 566355379 /nfs/dbraw/zinc/35/53/79/566355379.db2.gz QNKSZTRPFATUHF-UHFFFAOYSA-N -1 3 375.841 3.121 20 0 GGADHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510021487 566357194 /nfs/dbraw/zinc/35/71/94/566357194.db2.gz SWOFYKZNXQSNMQ-DTWKUNHWSA-N -1 3 387.807 3.225 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1F ZINC000446619258 566357420 /nfs/dbraw/zinc/35/74/20/566357420.db2.gz DFXVYWKWCPYQAQ-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM O=C(NCc1cc(Br)cc2c1OCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000462840949 566358177 /nfs/dbraw/zinc/35/81/77/566358177.db2.gz UANNHWZBFGIRGI-UHFFFAOYSA-N -1 3 399.244 3.156 20 0 GGADHM O=C(NCc1cc(Br)cc2c1OCC2)c1c[n-]c2ccccc2c1=O ZINC000462844481 566358198 /nfs/dbraw/zinc/35/81/98/566358198.db2.gz YWGSTIWNLNSSDF-UHFFFAOYSA-N -1 3 399.244 3.156 20 0 GGADHM COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000536212337 566358668 /nfs/dbraw/zinc/35/86/68/566358668.db2.gz AXSWCDSXCDDZPD-NSHDSACASA-N -1 3 383.853 3.103 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1F ZINC000557072173 566359336 /nfs/dbraw/zinc/35/93/36/566359336.db2.gz KMHPEEIOIGUTCD-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](C)Cc2ccccc2Cl)ccc1F ZINC000557066332 566359824 /nfs/dbraw/zinc/35/98/24/566359824.db2.gz CPHXTRURDNRPRQ-NSHDSACASA-N -1 3 384.860 3.205 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H](C)c2ccc(Cl)s2)ccc1F ZINC000557067513 566359878 /nfs/dbraw/zinc/35/98/78/566359878.db2.gz UIJBZPCOKRAUPS-MRVPVSSYSA-N -1 3 376.862 3.191 20 0 GGADHM FC(F)(F)Cn1cc(CN=c2ncc3scc(Br)c3[n-]2)cn1 ZINC000576598491 566360478 /nfs/dbraw/zinc/36/04/78/566360478.db2.gz OKAFJKFRKILIMV-UHFFFAOYSA-N -1 3 392.204 3.247 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557091027 566360624 /nfs/dbraw/zinc/36/06/24/566360624.db2.gz JOLZGHGBYDQVNE-BDJLRTHQSA-N -1 3 393.336 3.070 20 0 GGADHM O=S(=O)([N-]c1ccncc1)c1ccc(Br)c(Cl)c1Cl ZINC000671151323 566403326 /nfs/dbraw/zinc/40/33/26/566403326.db2.gz WCDXBGNTLVFWGL-UHFFFAOYSA-N -1 3 382.066 3.374 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557091029 566361339 /nfs/dbraw/zinc/36/13/39/566361339.db2.gz JOLZGHGBYDQVNE-MEDUHNTESA-N -1 3 393.336 3.070 20 0 GGADHM O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000483134200 566361506 /nfs/dbraw/zinc/36/15/06/566361506.db2.gz AOFKZOJWYZUWPI-GFCCVEGCSA-N -1 3 379.844 3.264 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1nc2c(s1)CCC2 ZINC000557095662 566361998 /nfs/dbraw/zinc/36/19/98/566361998.db2.gz NYWLXCSOWDKFRO-SSDOTTSWSA-N -1 3 393.353 3.495 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1csnn1 ZINC000557101772 566363222 /nfs/dbraw/zinc/36/32/22/566363222.db2.gz AIKKIAGLTNLWHD-JTQLQIEISA-N -1 3 387.914 3.410 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000600767843 566364379 /nfs/dbraw/zinc/36/43/79/566364379.db2.gz JHPWKSHCTHRUCN-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)cn1 ZINC000446753699 566364366 /nfs/dbraw/zinc/36/43/66/566364366.db2.gz UEBLDRFSORAGKK-UHFFFAOYSA-N -1 3 376.663 3.143 20 0 GGADHM CN(CCOc1ccc(Br)cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000576643950 566366031 /nfs/dbraw/zinc/36/60/31/566366031.db2.gz XDHLOIMDUKEBHW-UHFFFAOYSA-N -1 3 394.265 3.423 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cccc(Cl)c1OC ZINC000446843818 566367645 /nfs/dbraw/zinc/36/76/45/566367645.db2.gz CISJGAXOTSFFIY-UHFFFAOYSA-N -1 3 382.825 3.164 20 0 GGADHM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000576676979 566369134 /nfs/dbraw/zinc/36/91/34/566369134.db2.gz RLUYRKGKJHLIRM-UHFFFAOYSA-N -1 3 394.184 3.217 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000557165188 566370047 /nfs/dbraw/zinc/37/00/47/566370047.db2.gz AWCJXXARLOCZAM-RDJZCZTQSA-N -1 3 391.265 3.074 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000557184171 566370529 /nfs/dbraw/zinc/37/05/29/566370529.db2.gz UHQRIVWYHJBXHS-UHFFFAOYSA-N -1 3 382.869 3.327 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000557180505 566370678 /nfs/dbraw/zinc/37/06/78/566370678.db2.gz HHUJTVKVZNHVKV-UHFFFAOYSA-N -1 3 382.869 3.328 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000446918319 566370686 /nfs/dbraw/zinc/37/06/86/566370686.db2.gz 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CCN(CC)S(=O)(=O)c1ccc(CNCc2c(F)ccc([O-])c2F)s1 ZINC000510257546 566373105 /nfs/dbraw/zinc/37/31/05/566373105.db2.gz MMMUJLVFKWWFKG-UHFFFAOYSA-N -1 3 390.477 3.052 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)c[nH]1 ZINC000536459341 566373867 /nfs/dbraw/zinc/37/38/67/566373867.db2.gz LBIPTXSFSNPGSE-UHFFFAOYSA-N -1 3 382.747 3.274 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000510305614 566374225 /nfs/dbraw/zinc/37/42/25/566374225.db2.gz GXMHYNAFXNOBFE-XHDPSFHLSA-N -1 3 376.906 3.030 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl ZINC000576743780 566374778 /nfs/dbraw/zinc/37/47/78/566374778.db2.gz VSSMALKVNXTCKW-YOEHRIQHSA-N -1 3 386.300 3.438 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CN(C)C)c1ccc(F)cc1 ZINC000576760262 566376357 /nfs/dbraw/zinc/37/63/57/566376357.db2.gz QTNUSIMFCMWFQC-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM CCOC1(C)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000557307128 566377031 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CC(C)[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1nncn1C ZINC000510429351 566381302 /nfs/dbraw/zinc/38/13/02/566381302.db2.gz MVAJNLGJKBNGMH-AWEZNQCLSA-N -1 3 384.914 3.359 20 0 GGADHM Cc1ccc(C(=O)N=c2[nH][n-]cc2Br)cc1NC(=O)c1ccco1 ZINC000576851735 566382278 /nfs/dbraw/zinc/38/22/78/566382278.db2.gz WWWYYGXKPGXTPW-UHFFFAOYSA-N -1 3 389.209 3.000 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cccc(Br)c1Cl)C(=O)[O-] ZINC000600942276 566382432 /nfs/dbraw/zinc/38/24/32/566382432.db2.gz YCKYDIRSEYRXQT-LLVKDONJSA-N -1 3 392.677 3.377 20 0 GGADHM COc1cc(CNCCSC[C@H](C)C(=O)[O-])c(F)cc1Br ZINC000600943289 566382772 /nfs/dbraw/zinc/38/27/72/566382772.db2.gz XDCNTGDRJYKDCX-VIFPVBQESA-N -1 3 380.279 3.140 20 0 GGADHM COc1cc(CNCCSC[C@@H](C)C(=O)[O-])c(F)cc1Br ZINC000600943288 566382819 /nfs/dbraw/zinc/38/28/19/566382819.db2.gz XDCNTGDRJYKDCX-SECBINFHSA-N -1 3 380.279 3.140 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000576838034 566382910 /nfs/dbraw/zinc/38/29/10/566382910.db2.gz MVBTWRXHUQSCNS-ZIAGYGMSSA-N -1 3 391.320 3.205 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](c2nccn2C)C2CC2)cc1Cl ZINC000510444269 566383411 /nfs/dbraw/zinc/38/34/11/566383411.db2.gz NCARVYLTAWSRGA-AWEZNQCLSA-N -1 3 390.292 3.165 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN(CC(F)(F)F)C1 ZINC000536533077 566383473 /nfs/dbraw/zinc/38/34/73/566383473.db2.gz JRIOFRHWZFEBDH-VIFPVBQESA-N -1 3 381.192 3.368 20 0 GGADHM CS(=O)(=O)c1ccc(CNCc2cc([O-])cc(F)c2)cc1C(F)(F)F ZINC000447066974 566383564 /nfs/dbraw/zinc/38/35/64/566383564.db2.gz IADJZBKEAICMJX-UHFFFAOYSA-N -1 3 377.359 3.243 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000576838030 566383618 /nfs/dbraw/zinc/38/36/18/566383618.db2.gz MVBTWRXHUQSCNS-UONOGXRCSA-N -1 3 391.320 3.205 20 0 GGADHM C[C@@H](O)C[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000626091536 566384201 /nfs/dbraw/zinc/38/42/01/566384201.db2.gz ANTLGMHBHWQISF-DOMZBBRYSA-N -1 3 378.266 3.439 20 0 GGADHM O=c1[n-]cnc2c1CN(c1ccc(-c3ccc(Br)s3)nn1)CC2 ZINC000670850835 566384780 /nfs/dbraw/zinc/38/47/80/566384780.db2.gz HAIPHFRLUFBRFO-UHFFFAOYSA-N -1 3 390.266 3.026 20 0 GGADHM CC[C@]([N-]S(=O)(=O)c1cccc(C)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510467015 566384831 /nfs/dbraw/zinc/38/48/31/566384831.db2.gz FIHZHUPONMJAQV-GOSISDBHSA-N -1 3 381.881 3.405 20 0 GGADHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000463119587 566386648 /nfs/dbraw/zinc/38/66/48/566386648.db2.gz PJJCWMFMSKJUDX-UHFFFAOYSA-N -1 3 382.360 3.265 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cc(Cl)sc1Cl ZINC000536600011 566386927 /nfs/dbraw/zinc/38/69/27/566386927.db2.gz QTLYAGYPXUIAES-ZETCQYMHSA-N -1 3 399.346 3.100 20 0 GGADHM O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1csc(=NC2CC2)[n-]1 ZINC000463164198 566387764 /nfs/dbraw/zinc/38/77/64/566387764.db2.gz TXBJOBYFOBYIDW-UHFFFAOYSA-N -1 3 395.275 3.484 20 0 GGADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463163602 566387941 /nfs/dbraw/zinc/38/79/41/566387941.db2.gz SDOFIUCIPGAMJL-MRVPVSSYSA-N 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/nfs/dbraw/zinc/39/20/17/566392017.db2.gz YVNKIBHBSNKRIW-ZDUSSCGKSA-N -1 3 396.734 3.322 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC(C)C)s1 ZINC000447172410 566392580 /nfs/dbraw/zinc/39/25/80/566392580.db2.gz RESRWROGIFGOOL-UHFFFAOYSA-N -1 3 383.491 3.109 20 0 GGADHM COc1ccc(C2([N-]S(=O)(=O)c3sccc3Cl)CCOCC2)cc1 ZINC000649775105 566393635 /nfs/dbraw/zinc/39/36/35/566393635.db2.gz DWBBDSUXOUTVLC-UHFFFAOYSA-N -1 3 387.910 3.394 20 0 GGADHM COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000447182944 566393777 /nfs/dbraw/zinc/39/37/77/566393777.db2.gz RDPUVUMOEBUOHG-UHFFFAOYSA-N -1 3 387.860 3.291 20 0 GGADHM CCCC[C@@H](CCC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000536703379 566394230 /nfs/dbraw/zinc/39/42/30/566394230.db2.gz VGEYBEGIPVOAAR-CYBMUJFWSA-N -1 3 394.534 3.225 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000536698811 566394316 /nfs/dbraw/zinc/39/43/16/566394316.db2.gz NWHMKYLTQRTVFJ-UHFFFAOYSA-N -1 3 394.758 3.341 20 0 GGADHM CC[C@@]([N-]S(=O)(=O)c1ccccc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510557478 566395238 /nfs/dbraw/zinc/39/52/38/566395238.db2.gz DYAXEQYMQYKOPW-SFHVURJKSA-N -1 3 381.881 3.405 20 0 GGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000576997851 566396314 /nfs/dbraw/zinc/39/63/14/566396314.db2.gz ZVIPEWIRJOQWLL-DZGCQCFKSA-N -1 3 376.544 3.084 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000510585079 566396791 /nfs/dbraw/zinc/39/67/91/566396791.db2.gz RIBDQNQMVWLQOL-UHFFFAOYSA-N -1 3 388.536 3.190 20 0 GGADHM CC(C)c1scnc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421680173 566397780 /nfs/dbraw/zinc/39/77/80/566397780.db2.gz QNRJNMZEQDOERE-UHFFFAOYSA-N -1 3 397.220 3.462 20 0 GGADHM CC(C)c1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)nc1 ZINC000421679077 566397959 /nfs/dbraw/zinc/39/79/59/566397959.db2.gz HEBLECLXYVKTIS-UHFFFAOYSA-N -1 3 391.191 3.401 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(C)(C)C ZINC000510603795 566398057 /nfs/dbraw/zinc/39/80/57/566398057.db2.gz ZPHBJIFWPFFRLL-CQSZACIVSA-N -1 3 394.331 3.187 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000649831476 566398361 /nfs/dbraw/zinc/39/83/61/566398361.db2.gz IFIYJHIQOHBHHH-QMMMGPOBSA-N -1 3 375.334 3.488 20 0 GGADHM CC(=O)c1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)s1 ZINC000421683828 566399328 /nfs/dbraw/zinc/39/93/28/566399328.db2.gz VJVCHUFVFCNMBS-UHFFFAOYSA-N -1 3 396.188 3.146 20 0 GGADHM CC[C@@H](C)c1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)on1 ZINC000421681923 566399074 /nfs/dbraw/zinc/39/90/74/566399074.db2.gz JCSOWIDUBCAJOL-SSDOTTSWSA-N -1 3 395.179 3.384 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccncc1F ZINC000510616201 566399080 /nfs/dbraw/zinc/39/90/80/566399080.db2.gz PZNFOMLMOCUGRY-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM COCc1cccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000421683562 566399184 /nfs/dbraw/zinc/39/91/84/566399184.db2.gz UAJXCBQNHHAXAZ-UHFFFAOYSA-N -1 3 392.175 3.029 20 0 GGADHM Cc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c(C)c1 ZINC000421682173 566399202 /nfs/dbraw/zinc/39/92/02/566399202.db2.gz LMMBDXGLVVKUMB-UHFFFAOYSA-N -1 3 376.176 3.499 20 0 GGADHM CC[C@H](OC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421682692 566399234 /nfs/dbraw/zinc/39/92/34/566399234.db2.gz QGVSGBKJLBLZRO-NSHDSACASA-N -1 3 398.223 3.306 20 0 GGADHM COCCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCCC1 ZINC000421682417 566399271 /nfs/dbraw/zinc/39/92/71/566399271.db2.gz NRCVFOYFCSWVEF-UHFFFAOYSA-N -1 3 398.223 3.165 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1cccc2c1CCC2 ZINC000421681858 566399360 /nfs/dbraw/zinc/39/93/60/566399360.db2.gz IOLIICHCRZTWEL-UHFFFAOYSA-N -1 3 388.187 3.371 20 0 GGADHM CCc1cc(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)ccc1[O-] ZINC000557584634 566399875 /nfs/dbraw/zinc/39/98/75/566399875.db2.gz UWPSNPQPMOVWEN-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccncc1F ZINC000510616200 566400041 /nfs/dbraw/zinc/40/00/41/566400041.db2.gz PZNFOMLMOCUGRY-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1cccs1 ZINC000421682429 566400046 /nfs/dbraw/zinc/40/00/46/566400046.db2.gz NVMBJBDGEPXMGE-SSDOTTSWSA-N -1 3 382.205 3.434 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1cccc(Br)c1 ZINC000447271132 566400403 /nfs/dbraw/zinc/40/04/03/566400403.db2.gz MABODJIJSAMHNS-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM CSc1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccn1 ZINC000536757568 566400392 /nfs/dbraw/zinc/40/03/92/566400392.db2.gz TUHOXIUAEQURSW-UHFFFAOYSA-N -1 3 380.388 3.440 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000536754962 566400401 /nfs/dbraw/zinc/40/04/01/566400401.db2.gz BVUXKMPYIHRYPD-GWCFXTLKSA-N -1 3 382.309 3.484 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(C)(C)C ZINC000510632500 566400750 /nfs/dbraw/zinc/40/07/50/566400750.db2.gz BEGASVQKUACEDN-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM CC(C)c1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)cn1 ZINC000421684470 566401360 /nfs/dbraw/zinc/40/13/60/566401360.db2.gz XWRLXZLCTAVSBF-UHFFFAOYSA-N -1 3 391.191 3.401 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccc(Cl)cc1 ZINC000601363542 566402072 /nfs/dbraw/zinc/40/20/72/566402072.db2.gz QTLILLLMRRWSAN-NSHDSACASA-N -1 3 393.795 3.453 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)sc1Br ZINC000510648636 566402277 /nfs/dbraw/zinc/40/22/77/566402277.db2.gz SCHAHLCRYCIISN-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000510686348 566404109 /nfs/dbraw/zinc/40/41/09/566404109.db2.gz WCNBCHDDRINGJB-BFYDXBDKSA-N -1 3 381.519 3.386 20 0 GGADHM O=S(=O)([N-]CCNc1ccnc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000557643694 566404401 /nfs/dbraw/zinc/40/44/01/566404401.db2.gz KNVHNBMTMDFDJR-UHFFFAOYSA-N -1 3 385.820 3.206 20 0 GGADHM C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000510704544 566405293 /nfs/dbraw/zinc/40/52/93/566405293.db2.gz SKIWEMDRQYEZRI-OAQYLSRUSA-N -1 3 398.358 3.412 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)ccc1C(F)(F)F ZINC000577113332 566405870 /nfs/dbraw/zinc/40/58/70/566405870.db2.gz NQYYWYZTOZBSLE-UHFFFAOYSA-N -1 3 391.333 3.404 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c(N2CCCC2)n1 ZINC000671179575 566406032 /nfs/dbraw/zinc/40/60/32/566406032.db2.gz XIONPCRBKHZPFX-UHFFFAOYSA-N -1 3 383.876 3.261 20 0 GGADHM C[C@@H]1CCCN(Cc2csc([N-]C(=O)c3ccc(S(C)(=O)=O)s3)n2)C1 ZINC000421751174 566406340 /nfs/dbraw/zinc/40/63/40/566406340.db2.gz XVLCOYAMMIUSNX-LLVKDONJSA-N -1 3 399.563 3.092 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000510695973 566406283 /nfs/dbraw/zinc/40/62/83/566406283.db2.gz DKRMQTHWILVUMU-UHFFFAOYSA-N -1 3 391.262 3.407 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCCCC(C)=O ZINC000601428435 566406388 /nfs/dbraw/zinc/40/63/88/566406388.db2.gz AWFIIBRPJPNTLQ-UHFFFAOYSA-N -1 3 383.491 3.116 20 0 GGADHM CC1CCN(Cc2csc([N-]C(=O)c3ccc(S(C)(=O)=O)s3)n2)CC1 ZINC000421750966 566406704 /nfs/dbraw/zinc/40/67/04/566406704.db2.gz XCMGKTIJMNNHRV-UHFFFAOYSA-N -1 3 399.563 3.092 20 0 GGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000447378526 566407440 /nfs/dbraw/zinc/40/74/40/566407440.db2.gz CQOHEQBXLXCMRS-UHFFFAOYSA-N -1 3 378.281 3.107 20 0 GGADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000537020684 566417450 /nfs/dbraw/zinc/41/74/50/566417450.db2.gz JSWJOWHDBMVXDW-BXKDBHETSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000510730280 566408523 /nfs/dbraw/zinc/40/85/23/566408523.db2.gz DCUAOTRJCUCBOE-GVDBMIGSSA-N -1 3 380.535 3.390 20 0 GGADHM CSc1nnc(NC(=O)c2cc(Br)cc(Br)c2)[n-]1 ZINC000536897267 566408941 /nfs/dbraw/zinc/40/89/41/566408941.db2.gz QPNRDBBWKMDYJR-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cc(Br)cc(Br)c2)n1 ZINC000536897267 566408948 /nfs/dbraw/zinc/40/89/48/566408948.db2.gz QPNRDBBWKMDYJR-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM CSc1nc(NC(=O)c2cc(Br)cc(Br)c2)n[n-]1 ZINC000536897267 566408952 /nfs/dbraw/zinc/40/89/52/566408952.db2.gz QPNRDBBWKMDYJR-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM COC(=O)c1sc(-c2ccccc2Cl)cc1[N-]C(=O)c1ncn(C)n1 ZINC000463453646 566411397 /nfs/dbraw/zinc/41/13/97/566411397.db2.gz HJWUXYJBQYYJKG-UHFFFAOYSA-N -1 3 376.825 3.236 20 0 GGADHM CS[C@H](C)CCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000536910829 566412047 /nfs/dbraw/zinc/41/20/47/566412047.db2.gz ONBJWZKPVAYRPM-SECBINFHSA-N -1 3 394.921 3.390 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000557725371 566412651 /nfs/dbraw/zinc/41/26/51/566412651.db2.gz QCYQWXIGZGBATL-PRHODGIISA-N -1 3 391.465 3.136 20 0 GGADHM Cc1ccnc2nc(C(=O)[N-]c3nc4c(cccc4Br)s3)nn21 ZINC000557778149 566417268 /nfs/dbraw/zinc/41/72/68/566417268.db2.gz QROFOOGHHRCOAN-UHFFFAOYSA-N -1 3 389.238 3.057 20 0 GGADHM Cc1ccc([O-])c(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)n1 ZINC000447633272 566418605 /nfs/dbraw/zinc/41/86/05/566418605.db2.gz XBDWSTGIITVASM-KRWDZBQOSA-N -1 3 375.837 3.317 20 0 GGADHM Cc1ccc([O-])c(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)n1 ZINC000447633273 566419209 /nfs/dbraw/zinc/41/92/09/566419209.db2.gz XBDWSTGIITVASM-QGZVFWFLSA-N -1 3 375.837 3.317 20 0 GGADHM Cc1ccc([O-])c(NC(=O)CCOc2ccccc2I)n1 ZINC000447636356 566419426 /nfs/dbraw/zinc/41/94/26/566419426.db2.gz ILLRFPFAKZXMQK-UHFFFAOYSA-N -1 3 398.200 3.108 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccnc(C)c1 ZINC000650077454 566419839 /nfs/dbraw/zinc/41/98/39/566419839.db2.gz XEZJLLYCKGVLFF-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)ccc1F ZINC000421945952 566419993 /nfs/dbraw/zinc/41/99/93/566419993.db2.gz RWMXNIGMFIDORA-SNVBAGLBSA-N -1 3 382.379 3.002 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)s1 ZINC000557807530 566420870 /nfs/dbraw/zinc/42/08/70/566420870.db2.gz FMTGMJJXUYWGFQ-UHFFFAOYSA-N -1 3 385.898 3.113 20 0 GGADHM Cc1nc(C)c([C@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000510930131 566421242 /nfs/dbraw/zinc/42/12/42/566421242.db2.gz QXQWIMAUHDPHTJ-VIFPVBQESA-N -1 3 391.921 3.182 20 0 GGADHM Cc1ccc([C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C2CC2)cc1 ZINC000510913012 566421532 /nfs/dbraw/zinc/42/15/32/566421532.db2.gz OBUDGIDKEQPJEA-KRWDZBQOSA-N -1 3 398.937 3.256 20 0 GGADHM Cc1ccc(Cl)c2sc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)o3)nc21 ZINC000557816705 566421622 /nfs/dbraw/zinc/42/16/22/566421622.db2.gz IMUNRMXBAIJISK-UHFFFAOYSA-N -1 3 399.881 3.354 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1Br)c1ccc(C)o1 ZINC000557817458 566421723 /nfs/dbraw/zinc/42/17/23/566421723.db2.gz CZZATQUDNCFGSS-AWEZNQCLSA-N -1 3 388.283 3.158 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000557812026 566421914 /nfs/dbraw/zinc/42/19/14/566421914.db2.gz KVVCXAZARLBFOO-OAHLLOKOSA-N -1 3 383.470 3.060 20 0 GGADHM COc1ccsc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000510957656 566422640 /nfs/dbraw/zinc/42/26/40/566422640.db2.gz ILFACIBOROJXKK-SNVBAGLBSA-N -1 3 392.905 3.178 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000650104391 566423357 /nfs/dbraw/zinc/42/33/57/566423357.db2.gz GILIEFGJIICQPB-KXUCPTDWSA-N -1 3 378.192 3.171 20 0 GGADHM CS(=O)(=O)NCCc1ccc(C(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC000537149474 566424898 /nfs/dbraw/zinc/42/48/98/566424898.db2.gz QOXRWXGMVHFNSQ-UHFFFAOYSA-N -1 3 394.852 3.024 20 0 GGADHM O=C(c1n[n-]c(-c2ccccc2)c1Br)N1C[C@@H](O)Cc2ccccc21 ZINC000447716124 566425182 /nfs/dbraw/zinc/42/51/82/566425182.db2.gz RQNAWIPLURLSML-AWEZNQCLSA-N -1 3 398.260 3.403 20 0 GGADHM O=C(c1[n-]nc(-c2ccccc2)c1Br)N1C[C@@H](O)Cc2ccccc21 ZINC000447716124 566425193 /nfs/dbraw/zinc/42/51/93/566425193.db2.gz RQNAWIPLURLSML-AWEZNQCLSA-N -1 3 398.260 3.403 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1c(F)cccc1OC(F)(F)F ZINC000557832996 566425286 /nfs/dbraw/zinc/42/52/86/566425286.db2.gz BQZZITXYHGVVLQ-NSHDSACASA-N -1 3 385.379 3.352 20 0 GGADHM CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000537125441 566425213 /nfs/dbraw/zinc/42/52/13/566425213.db2.gz OTBJEKCGUJOFJT-UHFFFAOYSA-N -1 3 383.853 3.489 20 0 GGADHM O=C(c1n[n-]c(-c2ccccc2)c1Br)N1C[C@H](O)Cc2ccccc21 ZINC000447716126 566425459 /nfs/dbraw/zinc/42/54/59/566425459.db2.gz RQNAWIPLURLSML-CQSZACIVSA-N -1 3 398.260 3.403 20 0 GGADHM O=C(c1[n-]nc(-c2ccccc2)c1Br)N1C[C@H](O)Cc2ccccc21 ZINC000447716126 566425468 /nfs/dbraw/zinc/42/54/68/566425468.db2.gz RQNAWIPLURLSML-CQSZACIVSA-N -1 3 398.260 3.403 20 0 GGADHM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000626590547 566426230 /nfs/dbraw/zinc/42/62/30/566426230.db2.gz IZBFYMYSBOBVLR-CYBMUJFWSA-N -1 3 382.176 3.338 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)oc1C ZINC000463679883 566426161 /nfs/dbraw/zinc/42/61/61/566426161.db2.gz NDQQUZWBWYQQHO-UHFFFAOYSA-N -1 3 389.882 3.228 20 0 GGADHM Cn1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c1-c1ccccc1 ZINC000537168820 566426292 /nfs/dbraw/zinc/42/62/92/566426292.db2.gz UUBNRTGOUZKMAA-UHFFFAOYSA-N -1 3 386.249 3.485 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@H]2C)s1 ZINC000557836154 566426898 /nfs/dbraw/zinc/42/68/98/566426898.db2.gz NOLIOKSFLGVLHP-BDJLRTHQSA-N -1 3 379.507 3.094 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)cc1Cl ZINC000537181344 566428004 /nfs/dbraw/zinc/42/80/04/566428004.db2.gz USRJYYOHPUZPHH-LLVKDONJSA-N -1 3 396.336 3.469 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1c[nH]cn1 ZINC000511011258 566428178 /nfs/dbraw/zinc/42/81/78/566428178.db2.gz IHONXRWRFISWMI-UHFFFAOYSA-N -1 3 376.825 3.116 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1cc(F)ccc1Cl ZINC000557862808 566429559 /nfs/dbraw/zinc/42/95/59/566429559.db2.gz FPBDLUNIOZHSQC-SNVBAGLBSA-N -1 3 378.252 3.187 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1ccc(Cl)cc1F ZINC000557860269 566429869 /nfs/dbraw/zinc/42/98/69/566429869.db2.gz RFXDKIQGYNCMPP-SNVBAGLBSA-N -1 3 378.252 3.187 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1c(F)cncc1F ZINC000511025333 566429892 /nfs/dbraw/zinc/42/98/92/566429892.db2.gz DJBYKQVPFXWSEA-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1c(F)cncc1F ZINC000511044148 566430833 /nfs/dbraw/zinc/43/08/33/566430833.db2.gz OHTKOXLMVFSTQS-MRVPVSSYSA-N -1 3 382.310 3.298 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)c1c(F)cncc1F ZINC000511047258 566430986 /nfs/dbraw/zinc/43/09/86/566430986.db2.gz XYIZBEZOMUCLDT-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)c1c(F)cncc1F ZINC000511047257 566431046 /nfs/dbraw/zinc/43/10/46/566431046.db2.gz XYIZBEZOMUCLDT-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N=c1[nH][n-]cc1Br ZINC000577399234 566432412 /nfs/dbraw/zinc/43/24/12/566432412.db2.gz VXKMYXPUXDKVTF-QMMMGPOBSA-N -1 3 376.176 3.430 20 0 GGADHM CCC[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccnc1 ZINC000511055169 566432739 /nfs/dbraw/zinc/43/27/39/566432739.db2.gz VXUPRWOOKSBFAV-MRXNPFEDSA-N -1 3 385.892 3.283 20 0 GGADHM CCc1cccnc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511054252 566432828 /nfs/dbraw/zinc/43/28/28/566432828.db2.gz JYCUFYZBPSEOGV-LBPRGKRZSA-N -1 3 385.892 3.066 20 0 GGADHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000537234118 566433846 /nfs/dbraw/zinc/43/38/46/566433846.db2.gz AQMLJKNBNZAROR-BNGAFQBXSA-N -1 3 393.281 3.080 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)CC2CCCCC2)s1 ZINC000447833752 566435078 /nfs/dbraw/zinc/43/50/78/566435078.db2.gz UQYSRFAQVCUVGB-NSHDSACASA-N -1 3 375.512 3.181 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000671668731 566435757 /nfs/dbraw/zinc/43/57/57/566435757.db2.gz NBVKHQZCGXDAQD-UHFFFAOYSA-N -1 3 382.913 3.395 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@H]2CCO[C@H]21 ZINC000671676900 566437230 /nfs/dbraw/zinc/43/72/30/566437230.db2.gz KILJPPNBMSVKAM-OASPWFOLSA-N -1 3 383.819 3.451 20 0 GGADHM COC(=O)c1cnc(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[n-]1 ZINC000484578503 566437407 /nfs/dbraw/zinc/43/74/07/566437407.db2.gz XWYYHHPDBXKYNR-UHFFFAOYSA-N -1 3 391.783 3.182 20 0 GGADHM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000577460245 566437810 /nfs/dbraw/zinc/43/78/10/566437810.db2.gz UITULELRPJECGB-CYBMUJFWSA-N -1 3 384.910 3.311 20 0 GGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000671687108 566438277 /nfs/dbraw/zinc/43/82/77/566438277.db2.gz POGLOQLDLZUQJA-UHFFFAOYSA-N -1 3 386.445 3.124 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc(Cl)c1OC ZINC000650217801 566439323 /nfs/dbraw/zinc/43/93/23/566439323.db2.gz YLUFMXVLHMPHJS-SNVBAGLBSA-N -1 3 383.853 3.481 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]c2ccc(SCCN3CCCC3)cc2)s1 ZINC000650218076 566439373 /nfs/dbraw/zinc/43/93/73/566439373.db2.gz OPQYAXSLVPLIQS-UHFFFAOYSA-N -1 3 383.564 3.440 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc(Cl)c1OC ZINC000650217800 566439579 /nfs/dbraw/zinc/43/95/79/566439579.db2.gz YLUFMXVLHMPHJS-JTQLQIEISA-N -1 3 383.853 3.481 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc(Cl)c1OC ZINC000650217205 566439609 /nfs/dbraw/zinc/43/96/09/566439609.db2.gz UPDPIHNOPXGJGJ-MRXNPFEDSA-N -1 3 385.869 3.487 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)c1Cl ZINC000671688656 566440008 /nfs/dbraw/zinc/44/00/08/566440008.db2.gz OIEAJZIURPHQJO-CYBMUJFWSA-N -1 3 391.324 3.414 20 0 GGADHM COc1cc(NCc2cc([O-])ccc2Br)ncc1Br ZINC000537350438 566441190 /nfs/dbraw/zinc/44/11/90/566441190.db2.gz NKEIMXSJTLXKND-UHFFFAOYSA-N -1 3 388.059 3.355 20 0 GGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000447873040 566441550 /nfs/dbraw/zinc/44/15/50/566441550.db2.gz GJPYSJQUWRWJBF-UHFFFAOYSA-N -1 3 380.413 3.486 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000464018959 566443666 /nfs/dbraw/zinc/44/36/66/566443666.db2.gz BTIWVYZNTNHDSY-NSHDSACASA-N -1 3 383.495 3.173 20 0 GGADHM CC(C)(C)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000511186654 566443782 /nfs/dbraw/zinc/44/37/82/566443782.db2.gz MCZFSWPIDIFVCG-UHFFFAOYSA-N -1 3 386.564 3.454 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)s1 ZINC000511200173 566444192 /nfs/dbraw/zinc/44/41/92/566444192.db2.gz AMSVBAQCHFPNNQ-LLVKDONJSA-N -1 3 382.345 3.039 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)cc1OC ZINC000447898485 566444906 /nfs/dbraw/zinc/44/49/06/566444906.db2.gz WDEQBANTSVUKKQ-UHFFFAOYSA-N -1 3 381.841 3.343 20 0 GGADHM O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(Br)cc1[O-] ZINC000577567958 566444962 /nfs/dbraw/zinc/44/49/62/566444962.db2.gz YZEAINQOCLTVPE-UHFFFAOYSA-N -1 3 389.249 3.463 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1ccc(Br)cc1Cl ZINC000511221802 566445792 /nfs/dbraw/zinc/44/57/92/566445792.db2.gz KTKHSPLDFBRQNL-GFCCVEGCSA-N -1 3 396.734 3.322 20 0 GGADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000537437332 566446683 /nfs/dbraw/zinc/44/66/83/566446683.db2.gz NBWYJCXSQRBYGS-STQMWFEESA-N -1 3 394.306 3.460 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cnc(C)cc1C ZINC000650311538 566447182 /nfs/dbraw/zinc/44/71/82/566447182.db2.gz JWUCIGIFJLXYIT-UHFFFAOYSA-N -1 3 399.310 3.338 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)cc1Cl ZINC000558089439 566449075 /nfs/dbraw/zinc/44/90/75/566449075.db2.gz OGDBVTXMXCTQRS-VHSXEESVSA-N -1 3 386.272 3.188 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2N(C)CCCC2(C)C)s1 ZINC000447937787 566449227 /nfs/dbraw/zinc/44/92/27/566449227.db2.gz XYUAPPMOLFSVSG-GFCCVEGCSA-N -1 3 395.388 3.218 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511270248 566449728 /nfs/dbraw/zinc/44/97/28/566449728.db2.gz YOORYSZFTRXPHM-UHFFFAOYSA-N -1 3 396.248 3.265 20 0 GGADHM O=C(Cc1cnc2ccccc2c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511284094 566450814 /nfs/dbraw/zinc/45/08/14/566450814.db2.gz XEDGTGFDHJUBJI-UHFFFAOYSA-N -1 3 381.233 3.248 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(Oc2ccccc2F)CC1 ZINC000511287844 566450864 /nfs/dbraw/zinc/45/08/64/566450864.db2.gz SIWNHZNODMLVSX-UHFFFAOYSA-N -1 3 390.212 3.208 20 0 GGADHM C[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)n1cnc2ccccc21 ZINC000511281061 566451033 /nfs/dbraw/zinc/45/10/33/566451033.db2.gz KLWRQPAZMSJAHD-LLVKDONJSA-N -1 3 384.237 3.068 20 0 GGADHM CC(C)Cc1nc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cs1 ZINC000511279979 566451078 /nfs/dbraw/zinc/45/10/78/566451078.db2.gz XRVMEAQTZUUUMU-UHFFFAOYSA-N -1 3 379.283 3.426 20 0 GGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000464186346 566451309 /nfs/dbraw/zinc/45/13/09/566451309.db2.gz IZVSSZJZLNMBIA-UHFFFAOYSA-N -1 3 381.881 3.431 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)c1ccccc1 ZINC000484756631 566451282 /nfs/dbraw/zinc/45/12/82/566451282.db2.gz RBPARCGXRPFIFE-GFCCVEGCSA-N -1 3 383.491 3.015 20 0 GGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000464186341 566451402 /nfs/dbraw/zinc/45/14/02/566451402.db2.gz IYTCGISKVVCYMJ-UHFFFAOYSA-N -1 3 385.844 3.429 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)COC2CCCC2)c(F)cc1F ZINC000558123134 566452398 /nfs/dbraw/zinc/45/23/98/566452398.db2.gz SMIAXIVHTFIHBB-UHFFFAOYSA-N -1 3 376.425 3.014 20 0 GGADHM COc1cccc(Cl)c1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511301773 566452577 /nfs/dbraw/zinc/45/25/77/566452577.db2.gz AZMHCKNHEQVDIB-UHFFFAOYSA-N -1 3 380.629 3.433 20 0 GGADHM CC(C)Oc1ccccc1CC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511305399 566452636 /nfs/dbraw/zinc/45/26/36/566452636.db2.gz ZQUUEVYERWNZGD-UHFFFAOYSA-N -1 3 388.265 3.487 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc2)o1 ZINC000511300138 566452694 /nfs/dbraw/zinc/45/26/94/566452694.db2.gz HPCNSNODFHLCSG-UHFFFAOYSA-N -1 3 398.220 3.129 20 0 GGADHM O=C(CCCOc1ccccc1F)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511307417 566452711 /nfs/dbraw/zinc/45/27/11/566452711.db2.gz RMTVMDOSUCJIQN-UHFFFAOYSA-N -1 3 392.228 3.456 20 0 GGADHM Cc1cnn(-c2ccc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc2)c1 ZINC000511300351 566452744 /nfs/dbraw/zinc/45/27/44/566452744.db2.gz ILYHEZAERJAWGP-UHFFFAOYSA-N -1 3 396.248 3.265 20 0 GGADHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000484777887 566452742 /nfs/dbraw/zinc/45/27/42/566452742.db2.gz AHMGWOWDDTYUPE-RYUDHWBXSA-N -1 3 375.512 3.181 20 0 GGADHM O=C(Cc1cc(F)c(F)cc1F)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511308779 566452835 /nfs/dbraw/zinc/45/28/35/566452835.db2.gz VYANRKKEOOLMSC-UHFFFAOYSA-N -1 3 384.155 3.117 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)s1 ZINC000484786182 566454303 /nfs/dbraw/zinc/45/43/03/566454303.db2.gz MXKNHVNGEAOTEZ-VIFPVBQESA-N -1 3 389.882 3.236 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1F)Oc1ccccc1Br ZINC000484788257 566454475 /nfs/dbraw/zinc/45/44/75/566454475.db2.gz QBXWPWQITWGMRD-LLVKDONJSA-N -1 3 388.258 3.334 20 0 GGADHM O=C(Cc1ccc(Cl)c(F)c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511338024 566455181 /nfs/dbraw/zinc/45/51/81/566455181.db2.gz PHBLZDJDMVVIGG-UHFFFAOYSA-N -1 3 382.620 3.492 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000484779220 566455255 /nfs/dbraw/zinc/45/52/55/566455255.db2.gz SBHPWDUHSPBROP-YNEHKIRRSA-N -1 3 387.523 3.181 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCc3c2cccc3Cl)ccc1F ZINC000671854970 566455256 /nfs/dbraw/zinc/45/52/56/566455256.db2.gz OJUQEPOPRZFPGN-CYBMUJFWSA-N -1 3 382.844 3.056 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H](C)CSc2ccccc2)ccc1F ZINC000671854941 566455276 /nfs/dbraw/zinc/45/52/76/566455276.db2.gz AJVKKVOSWFBFTQ-GFCCVEGCSA-N -1 3 382.482 3.101 20 0 GGADHM O=S(=O)([N-]Cc1cnn2ccccc12)c1ccc(Cl)cc1C(F)(F)F ZINC000511346585 566456844 /nfs/dbraw/zinc/45/68/44/566456844.db2.gz QVIZDLMLCPHDMP-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM COc1ccc2c(c1)[C@@H](C(=O)N=c1cc3ccc(Br)cn3[n-]1)CC2 ZINC000511355233 566456865 /nfs/dbraw/zinc/45/68/65/566456865.db2.gz MFVCBBNEKNWUMX-HNNXBMFYSA-N -1 3 386.249 3.196 20 0 GGADHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000511350752 566457120 /nfs/dbraw/zinc/45/71/20/566457120.db2.gz NACOYVPIXXOSNH-UHFFFAOYSA-N -1 3 376.812 3.122 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c1 ZINC000602257721 566457664 /nfs/dbraw/zinc/45/76/64/566457664.db2.gz RCZFRVAQFCKUDR-UHFFFAOYSA-N -1 3 378.837 3.482 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1Cl ZINC000511363096 566458422 /nfs/dbraw/zinc/45/84/22/566458422.db2.gz WVFDTDZMHQWVBT-UHFFFAOYSA-N -1 3 385.791 3.138 20 0 GGADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(OC(F)F)c(F)c1 ZINC000511360898 566458489 /nfs/dbraw/zinc/45/84/89/566458489.db2.gz LTWNZYZRBBWPPZ-UHFFFAOYSA-N -1 3 377.306 3.438 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc(Br)cc1[O-] ZINC000537644568 566459167 /nfs/dbraw/zinc/45/91/67/566459167.db2.gz OWSITIXNJCDSMO-UHFFFAOYSA-N -1 3 379.254 3.477 20 0 GGADHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)cn1 ZINC000602276052 566459653 /nfs/dbraw/zinc/45/96/53/566459653.db2.gz YAUDFBZDFJXFAD-SECBINFHSA-N -1 3 378.317 3.328 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000671928712 566459581 /nfs/dbraw/zinc/45/95/81/566459581.db2.gz AYQMQUMQGHPHPS-LBPRGKRZSA-N -1 3 381.881 3.259 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)N=c3cc4ccc(Br)cn4[n-]3)c21 ZINC000511373626 566459840 /nfs/dbraw/zinc/45/98/40/566459840.db2.gz YNYBXPIJKPCIHZ-UHFFFAOYSA-N -1 3 383.249 3.490 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccnc1C(F)(F)F ZINC000511391632 566461308 /nfs/dbraw/zinc/46/13/08/566461308.db2.gz PPHONZHSIQARPW-UHFFFAOYSA-N -1 3 385.143 3.185 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc2c(s1)CCCC2(C)C ZINC000484874964 566461445 /nfs/dbraw/zinc/46/14/45/566461445.db2.gz OZPKHMCVLHEZFB-UHFFFAOYSA-N -1 3 399.563 3.321 20 0 GGADHM CO[C@](C)(C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1F ZINC000511392956 566461469 /nfs/dbraw/zinc/46/14/69/566461469.db2.gz ZFIRBERLBLHZIN-KRWDZBQOSA-N -1 3 392.228 3.158 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)c(F)cc1Br)c1cc(F)cc(F)c1 ZINC000511412375 566462212 /nfs/dbraw/zinc/46/22/12/566462212.db2.gz QMKFRNUBZPXPLM-UHFFFAOYSA-N -1 3 398.175 3.484 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc2c1CCCC2 ZINC000511404278 566462574 /nfs/dbraw/zinc/46/25/74/566462574.db2.gz JSASDYZXQIKNKT-UHFFFAOYSA-N -1 3 384.910 3.197 20 0 GGADHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2csc3ccccc23)n1 ZINC000511414336 566462902 /nfs/dbraw/zinc/46/29/02/566462902.db2.gz KNYFZGPJJDLXFV-UHFFFAOYSA-N -1 3 384.429 3.375 20 0 GGADHM COc1cccc(OC(F)(F)F)c1C[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000511425130 566463881 /nfs/dbraw/zinc/46/38/81/566463881.db2.gz KNJJRSKRMHRMJD-UHFFFAOYSA-N -1 3 396.412 3.146 20 0 GGADHM COc1cccc(OC(F)(F)F)c1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000511428126 566464218 /nfs/dbraw/zinc/46/42/18/566464218.db2.gz HIUWLRAEQMIUMJ-UHFFFAOYSA-N -1 3 396.774 3.121 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)c(F)cc1Br)c1ccccc1F ZINC000511431887 566464266 /nfs/dbraw/zinc/46/42/66/566464266.db2.gz UMZDVSLNNXXUJG-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CCOC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000577800110 566465324 /nfs/dbraw/zinc/46/53/24/566465324.db2.gz WLLLLGIHJJZVOV-OAHLLOKOSA-N -1 3 381.270 3.082 20 0 GGADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000672118471 566465696 /nfs/dbraw/zinc/46/56/96/566465696.db2.gz RHNRSTRRFCTEIV-UHFFFAOYSA-N -1 3 381.223 3.393 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000511438729 566465620 /nfs/dbraw/zinc/46/56/20/566465620.db2.gz KHZFHFHERPTFEV-RWMBFGLXSA-N -1 3 390.958 3.155 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000577799054 566466203 /nfs/dbraw/zinc/46/62/03/566466203.db2.gz QYQUNWCYELAYEE-UHFFFAOYSA-N -1 3 396.822 3.089 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)c1 ZINC000537746821 566466858 /nfs/dbraw/zinc/46/68/58/566466858.db2.gz KCCKJUSCFPBCSI-UHFFFAOYSA-N -1 3 386.303 3.382 20 0 GGADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000537742830 566467354 /nfs/dbraw/zinc/46/73/54/566467354.db2.gz IJLXTGMOCMVJLW-XXFAHNHDSA-N -1 3 377.359 3.298 20 0 GGADHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000537742828 566467534 /nfs/dbraw/zinc/46/75/34/566467534.db2.gz IJLXTGMOCMVJLW-FVMDXXJSSA-N -1 3 377.359 3.298 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cs1 ZINC000511495966 566467928 /nfs/dbraw/zinc/46/79/28/566467928.db2.gz BQAZOFCBGPCGAS-CYBMUJFWSA-N -1 3 381.299 3.035 20 0 GGADHM CCCN(CCC)S(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000537743082 566467996 /nfs/dbraw/zinc/46/79/96/566467996.db2.gz MBSPNOQAQBREDN-HNNXBMFYSA-N -1 3 386.905 3.077 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1nc2c(s1)CCC2 ZINC000577840674 566468632 /nfs/dbraw/zinc/46/86/32/566468632.db2.gz BPASFZMBKOJIIR-QMMMGPOBSA-N -1 3 377.413 3.085 20 0 GGADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000464356878 566468992 /nfs/dbraw/zinc/46/89/92/566468992.db2.gz BNKQYUVUXUALAR-GFCCVEGCSA-N -1 3 380.432 3.178 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)ccc1Br ZINC000464366792 566469444 /nfs/dbraw/zinc/46/94/44/566469444.db2.gz QNGGAFIEBOHLAH-ZETCQYMHSA-N -1 3 376.194 3.077 20 0 GGADHM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cn1 ZINC000464360540 566469834 /nfs/dbraw/zinc/46/98/34/566469834.db2.gz LIFKNKFQJHWPJG-SECBINFHSA-N -1 3 397.806 3.154 20 0 GGADHM CN(CCOc1cccc(Br)c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000577857579 566471372 /nfs/dbraw/zinc/47/13/72/566471372.db2.gz DSNQHBXWLKVVKR-UHFFFAOYSA-N -1 3 394.265 3.423 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)CCC(C)C)c1OC ZINC000577874791 566472360 /nfs/dbraw/zinc/47/23/60/566472360.db2.gz XOQCRUARRXWOEO-LLVKDONJSA-N -1 3 377.890 3.238 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000558434629 566472468 /nfs/dbraw/zinc/47/24/68/566472468.db2.gz WVCAVNWYKKPTLO-CQSZACIVSA-N -1 3 388.283 3.080 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000558434628 566473519 /nfs/dbraw/zinc/47/35/19/566473519.db2.gz WVCAVNWYKKPTLO-AWEZNQCLSA-N -1 3 388.283 3.080 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1Cl ZINC000464412137 566473726 /nfs/dbraw/zinc/47/37/26/566473726.db2.gz SNPBZPWEQDUEJH-UHFFFAOYSA-N -1 3 393.715 3.442 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1sc(C(F)(F)F)nc1C ZINC000464406161 566474023 /nfs/dbraw/zinc/47/40/23/566474023.db2.gz OIDPJIVHYGOOGJ-UHFFFAOYSA-N -1 3 377.344 3.450 20 0 GGADHM CCCc1nc(=NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)s[n-]1 ZINC000577903797 566474578 /nfs/dbraw/zinc/47/45/78/566474578.db2.gz NLGQALQYQAQMGE-UHFFFAOYSA-N -1 3 381.933 3.162 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1Cl ZINC000537839572 566475209 /nfs/dbraw/zinc/47/52/09/566475209.db2.gz LWBOOMKMPYYWRY-UHFFFAOYSA-N -1 3 380.853 3.424 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C2CC2)s1 ZINC000558470821 566476809 /nfs/dbraw/zinc/47/68/09/566476809.db2.gz OEAXYMKTACSXSE-KRWDZBQOSA-N -1 3 376.503 3.400 20 0 GGADHM C[C@H](CNC(=O)N=c1cc2ccccn2[n-]1)Oc1cccc(Br)c1 ZINC000558478878 566478032 /nfs/dbraw/zinc/47/80/32/566478032.db2.gz UCSQYUDQIFSRBD-GFCCVEGCSA-N -1 3 389.253 3.108 20 0 GGADHM CN(CCCN(C)C(=O)c1cc([O-])cc(Br)c1)Cc1ccncc1 ZINC000627317640 566478637 /nfs/dbraw/zinc/47/86/37/566478637.db2.gz TUGQVVVOLLDBAK-UHFFFAOYSA-N -1 3 392.297 3.144 20 0 GGADHM Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1Cl ZINC000672277356 566479456 /nfs/dbraw/zinc/47/94/56/566479456.db2.gz XQSDGYJNUHBNDT-UHFFFAOYSA-N -1 3 378.256 3.226 20 0 GGADHM COc1cc(Br)c(CNC[C@@](C)(C(=O)[O-])c2ccccc2)cc1O ZINC000650802625 566479427 /nfs/dbraw/zinc/47/94/27/566479427.db2.gz UBRBOYYBKZGMLS-GOSISDBHSA-N -1 3 394.265 3.295 20 0 GGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448594626 566479638 /nfs/dbraw/zinc/47/96/38/566479638.db2.gz CARSBSKMNMMQCL-IAQYHMDHSA-N -1 3 378.416 3.292 20 0 GGADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000558483712 566480056 /nfs/dbraw/zinc/48/00/56/566480056.db2.gz BNKKLJLIZUWHNQ-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(Cl)s1)c1cccc(Cl)c1Cl ZINC000672325119 566480167 /nfs/dbraw/zinc/48/01/67/566480167.db2.gz AVPAOXCYTPVRLJ-UHFFFAOYSA-N -1 3 386.713 3.494 20 0 GGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448594625 566480844 /nfs/dbraw/zinc/48/08/44/566480844.db2.gz CARSBSKMNMMQCL-ABAIWWIYSA-N -1 3 378.416 3.292 20 0 GGADHM CC(C)(C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1CCC1 ZINC000448596996 566481962 /nfs/dbraw/zinc/48/19/62/566481962.db2.gz NHCAECPUJFRWBE-UHFFFAOYSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC=CCC1 ZINC000448598934 566482083 /nfs/dbraw/zinc/48/20/83/566482083.db2.gz WNQHGPBNWYXAGL-OAHLLOKOSA-N -1 3 376.400 3.212 20 0 GGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448596150 566482193 /nfs/dbraw/zinc/48/21/93/566482193.db2.gz KKFXOCIHSOKPEW-BXUZGUMPSA-N -1 3 378.416 3.292 20 0 GGADHM CCOc1cc(CN2CC[C@@H](C(=O)OC)[C@H](C)C2)cc(Br)c1[O-] ZINC000485208243 566482428 /nfs/dbraw/zinc/48/24/28/566482428.db2.gz IRWXBUCEYZOYNP-DGCLKSJQSA-N -1 3 386.286 3.184 20 0 GGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448596153 566482791 /nfs/dbraw/zinc/48/27/91/566482791.db2.gz KKFXOCIHSOKPEW-RISCZKNCSA-N -1 3 378.416 3.292 20 0 GGADHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000558523082 566483282 /nfs/dbraw/zinc/48/32/82/566483282.db2.gz VVMBQPVWANHVJH-CYBMUJFWSA-N -1 3 381.325 3.213 20 0 GGADHM CCC[C@@H]1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000448622372 566484414 /nfs/dbraw/zinc/48/44/14/566484414.db2.gz PRZPOJZFPAPGIU-GDBMZVCRSA-N -1 3 384.567 3.234 20 0 GGADHM CC[C@H](C)[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OC ZINC000578029331 566484807 /nfs/dbraw/zinc/48/48/07/566484807.db2.gz KWHTXTCUNMPWMM-QFYYESIMSA-N -1 3 381.270 3.082 20 0 GGADHM CCCCn1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(C)n1 ZINC000538001222 566484822 /nfs/dbraw/zinc/48/48/22/566484822.db2.gz VFQPBZDXPVSPOO-UHFFFAOYSA-N -1 3 395.301 3.459 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-]C[C@H]1OCCc2ccccc21 ZINC000672384389 566485439 /nfs/dbraw/zinc/48/54/39/566485439.db2.gz OWBXROVUELIMOH-QGZVFWFLSA-N -1 3 396.306 3.183 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-]C[C@@H]1OCCc2ccccc21 ZINC000672384388 566486165 /nfs/dbraw/zinc/48/61/65/566486165.db2.gz OWBXROVUELIMOH-KRWDZBQOSA-N -1 3 396.306 3.183 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cncc(F)c1 ZINC000672400521 566487104 /nfs/dbraw/zinc/48/71/04/566487104.db2.gz XMKRALIXTLPKAY-MRVPVSSYSA-N -1 3 382.310 3.298 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000672428141 566488408 /nfs/dbraw/zinc/48/84/08/566488408.db2.gz HRWRNCJCJSHWSH-NSHDSACASA-N -1 3 378.252 3.187 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000672428140 566488847 /nfs/dbraw/zinc/48/88/47/566488847.db2.gz HRWRNCJCJSHWSH-LLVKDONJSA-N -1 3 378.252 3.187 20 0 GGADHM CC(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C)cc1 ZINC000558586655 566489949 /nfs/dbraw/zinc/48/99/49/566489949.db2.gz LYNZACCLBDGCDT-UHFFFAOYSA-N -1 3 390.571 3.189 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000672429544 566490122 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C[C@@H]1CCCC[C@H]1CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000511832336 566490879 /nfs/dbraw/zinc/49/08/79/566490879.db2.gz PKOZIIZMMWQNIL-NEPJUHHUSA-N -1 3 378.947 3.012 20 0 GGADHM Cc1csc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)n1 ZINC000602739545 566491461 /nfs/dbraw/zinc/49/14/61/566491461.db2.gz FGIWTFYOQGEGBT-UHFFFAOYSA-N -1 3 392.278 3.028 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Br)c1 ZINC000511850271 566491658 /nfs/dbraw/zinc/49/16/58/566491658.db2.gz OXUJWQXWDOQHCA-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Br)c1 ZINC000511850271 566491665 /nfs/dbraw/zinc/49/16/65/566491665.db2.gz OXUJWQXWDOQHCA-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2c(C)cccc2[O-])c1 ZINC000627610571 566492016 /nfs/dbraw/zinc/49/20/16/566492016.db2.gz WMTOWCLYYIPXFI-OAHLLOKOSA-N -1 3 394.265 3.277 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCOc2ccccc2C1 ZINC000602753919 566492227 /nfs/dbraw/zinc/49/22/27/566492227.db2.gz 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GGADHM COc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1O ZINC000578208013 566502101 /nfs/dbraw/zinc/50/21/01/566502101.db2.gz LJDSEXPXKCRJIJ-UHFFFAOYSA-N -1 3 380.224 3.325 20 0 GGADHM O=C(NCCCc1ccc(O)cc1)NCc1ccc([O-])c(Br)c1 ZINC000485484548 566502626 /nfs/dbraw/zinc/50/26/26/566502626.db2.gz COUSYWMOCVAAON-UHFFFAOYSA-N -1 3 379.254 3.292 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000538282342 566502837 /nfs/dbraw/zinc/50/28/37/566502837.db2.gz CBAHQAQPCXQYNA-AWEZNQCLSA-N -1 3 380.535 3.277 20 0 GGADHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1(C)C ZINC000538285091 566503099 /nfs/dbraw/zinc/50/30/99/566503099.db2.gz QUMPDAABERGZFC-FBIMIBRVSA-N -1 3 382.345 3.157 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC12CC2)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000578225704 566503357 /nfs/dbraw/zinc/50/33/57/566503357.db2.gz PDAFNMNVEWIPTG-UKRRQHHQSA-N -1 3 385.913 3.366 20 0 GGADHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000538281894 566503688 /nfs/dbraw/zinc/50/36/88/566503688.db2.gz ACIGIUNITULZDH-HUUCEWRRSA-N -1 3 397.294 3.077 20 0 GGADHM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000538308334 566505391 /nfs/dbraw/zinc/50/53/91/566505391.db2.gz RZWNUGRABBDHEJ-UHFFFAOYSA-N -1 3 376.203 3.103 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)ccc1C(=O)N(C)C ZINC000424058452 566506078 /nfs/dbraw/zinc/50/60/78/566506078.db2.gz DLVRLNRVAADNMG-UHFFFAOYSA-N -1 3 380.897 3.335 20 0 GGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 ZINC000558781028 566507160 /nfs/dbraw/zinc/50/71/60/566507160.db2.gz ITCHROMTHSJANE-OAHLLOKOSA-N -1 3 392.830 3.339 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1)c1cccs1 ZINC000424069583 566507452 /nfs/dbraw/zinc/50/74/52/566507452.db2.gz VGRBNEKMFNWDHF-UHFFFAOYSA-N -1 3 380.491 3.169 20 0 GGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc2c(c1)N(CC(F)F)CCS2 ZINC000424062329 566507507 /nfs/dbraw/zinc/50/75/07/566507507.db2.gz GWZVTTUKAGENSN-UHFFFAOYSA-N -1 3 392.493 3.032 20 0 GGADHM O=C(Nc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1)c1cccs1 ZINC000424065443 566507600 /nfs/dbraw/zinc/50/76/00/566507600.db2.gz LPQOTCDNNRWPHZ-UHFFFAOYSA-N -1 3 380.491 3.169 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)n2C)c1Cl ZINC000672817835 566508121 /nfs/dbraw/zinc/50/81/21/566508121.db2.gz SYWPFHGMEAVISF-UHFFFAOYSA-N -1 3 391.324 3.341 20 0 GGADHM CCc1nc(CN2CCN(Cc3cc([O-])ccc3Br)CC2)cs1 ZINC000512051382 566508637 /nfs/dbraw/zinc/50/86/37/566508637.db2.gz HTWFHAOLHPHVBL-UHFFFAOYSA-N -1 3 396.354 3.491 20 0 GGADHM Cc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)sc1Cc1ccccc1 ZINC000603069713 566508911 /nfs/dbraw/zinc/50/89/11/566508911.db2.gz NPNWUHPQASDOKE-UHFFFAOYSA-N -1 3 376.459 3.291 20 0 GGADHM CCOCc1nc(C)c(C(=O)[N-]c2ccccc2SCCC(N)=O)s1 ZINC000448895472 566508976 /nfs/dbraw/zinc/50/89/76/566508976.db2.gz KZJCSXAKWSNFPM-UHFFFAOYSA-N -1 3 379.507 3.208 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000578293987 566509875 /nfs/dbraw/zinc/50/98/75/566509875.db2.gz UVZAZHIGPQKCGG-INIZCTEOSA-N -1 3 387.473 3.350 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1nc2ccccc2s1)c1cccs1 ZINC000578318527 566511441 /nfs/dbraw/zinc/51/14/41/566511441.db2.gz GYTRLUUYAZTZMN-AWEZNQCLSA-N -1 3 382.532 3.396 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CSc3ccc(Br)cc32)on1 ZINC000558938642 566514378 /nfs/dbraw/zinc/51/43/78/566514378.db2.gz TUZJKVMVTQHEMB-GFCCVEGCSA-N -1 3 389.296 3.012 20 0 GGADHM C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C[C@H]1C ZINC000464975387 566514412 /nfs/dbraw/zinc/51/44/12/566514412.db2.gz XUMDLFRWUGADSI-TXEJJXNPSA-N -1 3 384.548 3.016 20 0 GGADHM Ic1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cs1 ZINC000578390339 566517176 /nfs/dbraw/zinc/51/71/76/566517176.db2.gz JYUOEOUNQIAAHK-UHFFFAOYSA-N -1 3 395.185 3.341 20 0 GGADHM Cn1cc(Br)c(=O)c(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000558986922 566517896 /nfs/dbraw/zinc/51/78/96/566517896.db2.gz KZHBMHADFXPHKS-UHFFFAOYSA-N -1 3 391.143 3.125 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449015340 566519409 /nfs/dbraw/zinc/51/94/09/566519409.db2.gz DPFLWKLKOPZHHB-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1Br ZINC000424209909 566519733 /nfs/dbraw/zinc/51/97/33/566519733.db2.gz BUCMUTIERDFKBB-SSDOTTSWSA-N -1 3 376.194 3.077 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2ccncc2Cl)c(F)cc1F ZINC000465170104 566520972 /nfs/dbraw/zinc/52/09/72/566520972.db2.gz QLBIYJZBHQGQCU-UHFFFAOYSA-N -1 3 389.811 3.417 20 0 GGADHM Cc1nc(C(=O)[N-]c2ccccc2SCC(N)=O)c(Br)s1 ZINC000485744360 566522599 /nfs/dbraw/zinc/52/25/99/566522599.db2.gz FZXZRPXREXQUEY-UHFFFAOYSA-N -1 3 386.296 3.044 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1c(F)cccc1Cl ZINC000559060179 566523529 /nfs/dbraw/zinc/52/35/29/566523529.db2.gz DRLSURGTNMQMND-SSDOTTSWSA-N -1 3 385.770 3.271 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C ZINC000559053842 566523723 /nfs/dbraw/zinc/52/37/23/566523723.db2.gz NDEZEKKOJZCGGL-AWEZNQCLSA-N -1 3 377.453 3.410 20 0 GGADHM C[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)[C@@H]1C(=O)[O-] ZINC000424274575 566525356 /nfs/dbraw/zinc/52/53/56/566525356.db2.gz WEKKOJVBJNHQIE-BZNIZROVSA-N -1 3 384.270 3.296 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)CC1 ZINC000603418468 566525722 /nfs/dbraw/zinc/52/57/22/566525722.db2.gz JOBICACYCLSLQP-XMMPIXPASA-N -1 3 385.551 3.189 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)C2CCCCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000538668159 566526592 /nfs/dbraw/zinc/52/65/92/566526592.db2.gz HKXCWZQCPCFOAL-HNNXBMFYSA-N -1 3 391.320 3.351 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCCc2occc2C1 ZINC000559128668 566526959 /nfs/dbraw/zinc/52/69/59/566526959.db2.gz RWYYCVDGJIHBQR-UHFFFAOYSA-N -1 3 387.233 3.472 20 0 GGADHM O=C(CC[C@H]1CCCO1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512332362 566527156 /nfs/dbraw/zinc/52/71/56/566527156.db2.gz UWKAFWOHVYFANN-CYBMUJFWSA-N -1 3 382.233 3.298 20 0 GGADHM Cc1ncc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)s1 ZINC000512346917 566527576 /nfs/dbraw/zinc/52/75/76/566527576.db2.gz JDVYMPLPMZSHAS-UHFFFAOYSA-N -1 3 381.230 3.417 20 0 GGADHM O=C(CCc1cscn1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512345396 566528006 /nfs/dbraw/zinc/52/80/06/566528006.db2.gz BCSQRSRXZKQWPQ-UHFFFAOYSA-N -1 3 395.257 3.428 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000559140304 566527963 /nfs/dbraw/zinc/52/79/63/566527963.db2.gz ITLVCLBDYXIOHC-NSHDSACASA-N -1 3 380.470 3.070 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)c(C)o1 ZINC000559138724 566528089 /nfs/dbraw/zinc/52/80/89/566528089.db2.gz ITKDJJJRCUUWIK-UHFFFAOYSA-N -1 3 383.853 3.386 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1F ZINC000512380790 566529218 /nfs/dbraw/zinc/52/92/18/566529218.db2.gz HZJSJCIKXLFHQM-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM O=C(NCC1CCSCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000603474926 566529436 /nfs/dbraw/zinc/52/94/36/566529436.db2.gz AURLDGGRLKKDIK-UHFFFAOYSA-N -1 3 381.295 3.164 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c(F)c1 ZINC000603508684 566530585 /nfs/dbraw/zinc/53/05/85/566530585.db2.gz CPVJEWQLMHKLDJ-UHFFFAOYSA-N -1 3 388.823 3.098 20 0 GGADHM CSCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000603499309 566530940 /nfs/dbraw/zinc/53/09/40/566530940.db2.gz WOSYIXWXFMDWSS-UHFFFAOYSA-N -1 3 382.482 3.028 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)N(C)C)cc1 ZINC000559201729 566532995 /nfs/dbraw/zinc/53/29/95/566532995.db2.gz CBFHPFLTACOWHT-INIZCTEOSA-N -1 3 386.489 3.268 20 0 GGADHM O=S(=O)([N-]Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(Cl)s1 ZINC000465493149 566533081 /nfs/dbraw/zinc/53/30/81/566533081.db2.gz OGGGBOGSABXBBC-UHFFFAOYSA-N -1 3 397.808 3.210 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1ncn(-c2ccccc2)n1 ZINC000559181293 566533294 /nfs/dbraw/zinc/53/32/94/566533294.db2.gz QECBGCGFOBIFMM-UHFFFAOYSA-N -1 3 397.287 3.194 20 0 GGADHM CCc1cc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)ccc1[O-] ZINC000485860122 566533604 /nfs/dbraw/zinc/53/36/04/566533604.db2.gz RXVHGHOSYUSGEY-UHFFFAOYSA-N -1 3 391.265 3.476 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C1CCC1 ZINC000465498853 566534439 /nfs/dbraw/zinc/53/44/39/566534439.db2.gz CTPROIFQJAQEDU-LBPRGKRZSA-N -1 3 375.512 3.181 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C1CCC1 ZINC000465498851 566534476 /nfs/dbraw/zinc/53/44/76/566534476.db2.gz CTPROIFQJAQEDU-GFCCVEGCSA-N -1 3 375.512 3.181 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2SC)cc1OC ZINC000465504125 566534771 /nfs/dbraw/zinc/53/47/71/566534771.db2.gz FSLVDPKCGRCPRW-UHFFFAOYSA-N -1 3 385.482 3.352 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC000465499842 566534859 /nfs/dbraw/zinc/53/48/59/566534859.db2.gz QLFDOQOXKQEAOS-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@](C)(CO)c1ccccc1 ZINC000651570590 566535168 /nfs/dbraw/zinc/53/51/68/566535168.db2.gz HQAPHSDMFICNPK-AWEZNQCLSA-N -1 3 390.324 3.005 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000578577303 566535582 /nfs/dbraw/zinc/53/55/82/566535582.db2.gz RNBTZFBGEBYWEC-UHFFFAOYSA-N -1 3 393.734 3.033 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000651571660 566535731 /nfs/dbraw/zinc/53/57/31/566535731.db2.gz SMWVPGVODBAVBX-NSHDSACASA-N -1 3 388.308 3.490 20 0 GGADHM CCC[C@@H](CC(C)C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000449195905 566536145 /nfs/dbraw/zinc/53/61/45/566536145.db2.gz WWLHPIOBTWMMGM-HNNXBMFYSA-N -1 3 386.583 3.480 20 0 GGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3cncc(Br)c3)c[nH]c2c1 ZINC000485884646 566536179 /nfs/dbraw/zinc/53/61/79/566536179.db2.gz RXRQYGNOCHTPDW-UHFFFAOYSA-N -1 3 394.294 3.155 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c1 ZINC000673463174 566537249 /nfs/dbraw/zinc/53/72/49/566537249.db2.gz QDULRNQHPXRMPG-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3cncc(Br)c3)c[nH]c21 ZINC000485896721 566537289 /nfs/dbraw/zinc/53/72/89/566537289.db2.gz MAAVGLJNGMVNMH-UHFFFAOYSA-N -1 3 394.294 3.155 20 0 GGADHM C[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673505124 566539014 /nfs/dbraw/zinc/53/90/14/566539014.db2.gz NHUCGIZJQAPSEI-UWVGGRQHSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000424547104 566538910 /nfs/dbraw/zinc/53/89/10/566538910.db2.gz TYMXSSGXEFOVJI-BXUZGUMPSA-N -1 3 378.416 3.292 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)CC1(COC)CCC1)c1nc(C(F)(F)F)cs1 ZINC000651585974 566539083 /nfs/dbraw/zinc/53/90/83/566539083.db2.gz KYAYRQDISIIPKN-SNVBAGLBSA-N -1 3 386.461 3.349 20 0 GGADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000424547105 566539313 /nfs/dbraw/zinc/53/93/13/566539313.db2.gz TYMXSSGXEFOVJI-FZMZJTMJSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(Cl)ccc1Cl ZINC000673503981 566539474 /nfs/dbraw/zinc/53/94/74/566539474.db2.gz IZZHJBGLXZCXRI-ZJUUUORDSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000673505126 566539487 /nfs/dbraw/zinc/53/94/87/566539487.db2.gz NHUCGIZJQAPSEI-ZJUUUORDSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000424547107 566539579 /nfs/dbraw/zinc/53/95/79/566539579.db2.gz TYMXSSGXEFOVJI-SMDDNHRTSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000673506545 566539569 /nfs/dbraw/zinc/53/95/69/566539569.db2.gz ULTKBDPWSHIZHR-ZJUUUORDSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673504915 566539647 /nfs/dbraw/zinc/53/96/47/566539647.db2.gz UBXPCSNYKKXCOL-NXEZZACHSA-N -1 3 382.247 3.487 20 0 GGADHM O=C(Nc1ccc(I)cc1)c1c[n-]nc1-c1ccncc1 ZINC000603787784 566540237 /nfs/dbraw/zinc/54/02/37/566540237.db2.gz JTRGGAGJSSMXHR-UHFFFAOYSA-N -1 3 390.184 3.329 20 0 GGADHM O=C(Nc1ccc(I)cc1)c1cn[n-]c1-c1ccncc1 ZINC000603787784 566540245 /nfs/dbraw/zinc/54/02/45/566540245.db2.gz JTRGGAGJSSMXHR-UHFFFAOYSA-N -1 3 390.184 3.329 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000651602616 566541121 /nfs/dbraw/zinc/54/11/21/566541121.db2.gz VZQUTXKYMQCAFU-HBNTYKKESA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000651614333 566541888 /nfs/dbraw/zinc/54/18/88/566541888.db2.gz HBWXKVVCLNCLRY-MVWJERBFSA-N -1 3 392.340 3.055 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)c1csnn1 ZINC000578645967 566542212 /nfs/dbraw/zinc/54/22/12/566542212.db2.gz FCFYLWHTKOHIPZ-ZETCQYMHSA-N -1 3 396.719 3.135 20 0 GGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000538857691 566542562 /nfs/dbraw/zinc/54/25/62/566542562.db2.gz UPZZICXKWDCDRO-GFCCVEGCSA-N -1 3 387.237 3.436 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1C ZINC000485957016 566542800 /nfs/dbraw/zinc/54/28/00/566542800.db2.gz XLYFMKVSQGIGTL-CQSZACIVSA-N -1 3 375.416 3.144 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1C ZINC000512569978 566542808 /nfs/dbraw/zinc/54/28/08/566542808.db2.gz WOSKIBLLOGBVFY-UHFFFAOYSA-N -1 3 378.475 3.157 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1C ZINC000485957009 566543081 /nfs/dbraw/zinc/54/30/81/566543081.db2.gz XLYFMKVSQGIGTL-AWEZNQCLSA-N -1 3 375.416 3.144 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)c1ccncc1 ZINC000651625219 566543383 /nfs/dbraw/zinc/54/33/83/566543383.db2.gz XYBUEHQJQDEBAY-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000673570161 566543502 /nfs/dbraw/zinc/54/35/02/566543502.db2.gz NGPANHAXOWBVHN-SNVBAGLBSA-N -1 3 396.843 3.163 20 0 GGADHM O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000673570142 566543574 /nfs/dbraw/zinc/54/35/74/566543574.db2.gz LUQHDXMAMIGMHT-UHFFFAOYSA-N -1 3 390.686 3.428 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1ccc(F)c(F)c1 ZINC000673572235 566543722 /nfs/dbraw/zinc/54/37/22/566543722.db2.gz RFICIVVMTNRFSK-HNNXBMFYSA-N -1 3 391.823 3.293 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485957470 566544473 /nfs/dbraw/zinc/54/44/73/566544473.db2.gz XCSDPAGWUODMPN-IINYFYTJSA-N -1 3 398.750 3.319 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000673584624 566544965 /nfs/dbraw/zinc/54/49/65/566544965.db2.gz AKMLBNVEZBOIAS-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1([C@@H](C)CCO)CCC1 ZINC000651629633 566545102 /nfs/dbraw/zinc/54/51/02/566545102.db2.gz AQWQGXJDZIPGCO-NSHDSACASA-N -1 3 396.372 3.286 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)sc1Br ZINC000673587898 566545579 /nfs/dbraw/zinc/54/55/79/566545579.db2.gz OFOKBRHQXVTGDP-SNVBAGLBSA-N -1 3 388.308 3.274 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1cncc(F)c1 ZINC000651636285 566545547 /nfs/dbraw/zinc/54/55/47/566545547.db2.gz CLQVHDZUTIANGJ-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc([O-])ccc1Cl ZINC000559370379 566546013 /nfs/dbraw/zinc/54/60/13/566546013.db2.gz AFJUQBYYPZRARL-UHFFFAOYSA-N -1 3 397.656 3.485 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000651644349 566546312 /nfs/dbraw/zinc/54/63/12/566546312.db2.gz OJSOKDIQDBKDNV-GHMZBOCLSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@@H]1CCO[C@@H](C)C1 ZINC000651638881 566546761 /nfs/dbraw/zinc/54/67/61/566546761.db2.gz NWDVRHMPRYGYMP-WDEREUQCSA-N -1 3 382.345 3.303 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3ccc(Br)s3)nc(=O)c2c1C ZINC000603941382 566546936 /nfs/dbraw/zinc/54/69/36/566546936.db2.gz LMRBVGFBSJNVPS-UHFFFAOYSA-N -1 3 399.291 3.494 20 0 GGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)on1 ZINC000603947495 566547396 /nfs/dbraw/zinc/54/73/96/566547396.db2.gz IDCLCVCOMFCUHZ-UHFFFAOYSA-N -1 3 378.372 3.218 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc2c(c1)COC2 ZINC000485995060 566547387 /nfs/dbraw/zinc/54/73/87/566547387.db2.gz YDGXWPQGUXSDTF-HNNXBMFYSA-N -1 3 375.343 3.438 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c(C)cc1Br ZINC000486009945 566548682 /nfs/dbraw/zinc/54/86/82/566548682.db2.gz VRJFKKUEVNUJKK-UHFFFAOYSA-N -1 3 378.185 3.245 20 0 GGADHM C[C@]1(c2ccc(C(=O)NCc3cc(Cl)sc3Cl)cc2)NC(=O)[N-]C1=O ZINC000538909739 566548179 /nfs/dbraw/zinc/54/81/79/566548179.db2.gz ASTLDHGRWCHFCY-MRXNPFEDSA-N -1 3 398.271 3.040 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(c2ccncn2)CC1 ZINC000578737223 566550141 /nfs/dbraw/zinc/55/01/41/566550141.db2.gz OCLOXQQYRLDDEW-UHFFFAOYSA-N -1 3 391.269 3.034 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000604025425 566550940 /nfs/dbraw/zinc/55/09/40/566550940.db2.gz HWHJLZPQHWSOIP-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2cccc3ccccc32)s1 ZINC000604031542 566551022 /nfs/dbraw/zinc/55/10/22/566551022.db2.gz IDVNQGAMPOMSDE-UHFFFAOYSA-N -1 3 375.471 3.209 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN1Cc1ccccc1)c1ccc(F)cc1Cl ZINC000604058732 566551668 /nfs/dbraw/zinc/55/16/68/566551668.db2.gz OBBILJOZNMFEGM-MRXNPFEDSA-N -1 3 382.888 3.422 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000651689141 566551733 /nfs/dbraw/zinc/55/17/33/566551733.db2.gz JJEHEJQOXHWEOX-NSHDSACASA-N -1 3 394.356 3.447 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1 ZINC000651683810 566552096 /nfs/dbraw/zinc/55/20/96/566552096.db2.gz OMASPVWFUQERIE-LBPRGKRZSA-N -1 3 398.344 3.031 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccc(Cl)cc2)s1 ZINC000604042503 566552588 /nfs/dbraw/zinc/55/25/88/566552588.db2.gz FUAGBVRXKGTBLS-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)s1 ZINC000604036913 566552761 /nfs/dbraw/zinc/55/27/61/566552761.db2.gz HBGRKVCQRDOIRE-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN1Cc1ccccc1)c1cc(F)ccc1Cl ZINC000604058787 566552880 /nfs/dbraw/zinc/55/28/80/566552880.db2.gz RIXIYAJLKHPZCU-INIZCTEOSA-N -1 3 382.888 3.422 20 0 GGADHM Cc1ccc(S(=O)(=O)Cc2noc(Cc3ccc([O-])cc3Cl)n2)cc1 ZINC000486055395 566552905 /nfs/dbraw/zinc/55/29/05/566552905.db2.gz RVKPGKMWBIPYAQ-UHFFFAOYSA-N -1 3 378.837 3.302 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000538979283 566553086 /nfs/dbraw/zinc/55/30/86/566553086.db2.gz FFSKORZCVFHIJT-UHFFFAOYSA-N -1 3 375.780 3.347 20 0 GGADHM O=c1[nH]cc(Br)cc1Cc1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000486068202 566553618 /nfs/dbraw/zinc/55/36/18/566553618.db2.gz UAAYYFNLUDQSKM-UHFFFAOYSA-N -1 3 396.628 3.473 20 0 GGADHM CC(C)(C)Nc1cc(F)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)cc1N ZINC000651707083 566553644 /nfs/dbraw/zinc/55/36/44/566553644.db2.gz YHCBGPKCTPNYEP-UHFFFAOYSA-N -1 3 383.411 3.238 20 0 GGADHM CC(C)[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000539033874 566554807 /nfs/dbraw/zinc/55/48/07/566554807.db2.gz AONPGRTYUMTPPS-PXAZEXFGSA-N -1 3 393.281 3.224 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)c1ccccn1 ZINC000651723251 566556401 /nfs/dbraw/zinc/55/64/01/566556401.db2.gz IZRPNNACBQXNAY-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(F)c(F)c1 ZINC000486087612 566556530 /nfs/dbraw/zinc/55/65/30/566556530.db2.gz PXCGGXCFXZQNOB-AWEZNQCLSA-N -1 3 391.823 3.293 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C[C@@H]3CCCCC(F)(F)C3)cnc2c1Cl ZINC000578826111 566557876 /nfs/dbraw/zinc/55/78/76/566557876.db2.gz ZYUJJAMBKNAIKD-LLVKDONJSA-N -1 3 392.859 3.185 20 0 GGADHM O=c1cc(C=Cc2cnc3ccc(Br)cn23)nc(-c2ccncc2)[n-]1 ZINC000486100180 566557891 /nfs/dbraw/zinc/55/78/91/566557891.db2.gz ADWHHPIEGXQVFF-NSCUHMNNSA-N -1 3 394.232 3.413 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ccc(C)cn1 ZINC000651735424 566558387 /nfs/dbraw/zinc/55/83/87/566558387.db2.gz QBRHNZHMZXOFNQ-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CCC[C@@H](F)C1 ZINC000424691992 566558525 /nfs/dbraw/zinc/55/85/25/566558525.db2.gz RMNLAPBZYZLRLG-VHSXEESVSA-N -1 3 392.855 3.387 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)c[nH]1 ZINC000673820836 566558578 /nfs/dbraw/zinc/55/85/78/566558578.db2.gz KNNDDEQERQLKKE-OLZOCXBDSA-N -1 3 384.299 3.130 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)c1 ZINC000673821876 566558873 /nfs/dbraw/zinc/55/88/73/566558873.db2.gz CWASLAIQTXPVPI-SECBINFHSA-N -1 3 389.271 3.102 20 0 GGADHM O=C(NCC(F)(F)F)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000578854827 566558967 /nfs/dbraw/zinc/55/89/67/566558967.db2.gz XKOILCGBVGKFCX-UHFFFAOYSA-N -1 3 395.219 3.045 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486110558 566559019 /nfs/dbraw/zinc/55/90/19/566559019.db2.gz RLCBTHZMIIJGTL-UHFFFAOYSA-N -1 3 394.313 3.363 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)c[nH]1 ZINC000673820838 566559162 /nfs/dbraw/zinc/55/91/62/566559162.db2.gz KNNDDEQERQLKKE-QWHCGFSZSA-N -1 3 384.299 3.130 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2cccc(C)c2n1C ZINC000486105929 566559224 /nfs/dbraw/zinc/55/92/24/566559224.db2.gz DXSWWLQHXOQSQR-UHFFFAOYSA-N -1 3 379.869 3.022 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000673822879 566559233 /nfs/dbraw/zinc/55/92/33/566559233.db2.gz QOGSGZJLOXCKSC-SJORKVTESA-N -1 3 396.306 3.466 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2)c1 ZINC000673822877 566559340 /nfs/dbraw/zinc/55/93/40/566559340.db2.gz QOGSGZJLOXCKSC-IAGOWNOFSA-N -1 3 396.306 3.466 20 0 GGADHM CCc1cc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)ccc1[O-] ZINC000486112902 566559717 /nfs/dbraw/zinc/55/97/17/566559717.db2.gz BDARTZJRDZNJRE-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000539118621 566561336 /nfs/dbraw/zinc/56/13/36/566561336.db2.gz SXSCYMWQNTXDPM-HNNXBMFYSA-N -1 3 391.823 3.293 20 0 GGADHM CCSc1nnc([N-]C(=O)c2cnc(OC)c(Br)c2)s1 ZINC000424724658 566563142 /nfs/dbraw/zinc/56/31/42/566563142.db2.gz QXMFZOBVZSUDMJ-UHFFFAOYSA-N -1 3 375.273 3.069 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(Cl)o1)c1cccc(Cl)c1Cl ZINC000512868407 566563832 /nfs/dbraw/zinc/56/38/32/566563832.db2.gz CJFPHPAOOJFTTG-UHFFFAOYSA-N -1 3 383.684 3.308 20 0 GGADHM COc1cc(CNC(C)(C)c2nnc3n2CCCC3)cc(Br)c1[O-] ZINC000449458871 566563960 /nfs/dbraw/zinc/56/39/60/566563960.db2.gz JIPTZTBKGFRRFE-UHFFFAOYSA-N -1 3 395.301 3.116 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1NC(C)=O ZINC000673885409 566564061 /nfs/dbraw/zinc/56/40/61/566564061.db2.gz NOJXHQZNPVAVNL-UHFFFAOYSA-N -1 3 390.795 3.386 20 0 GGADHM [O-]c1ccc(Br)c(CN2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000578918716 566564152 /nfs/dbraw/zinc/56/41/52/566564152.db2.gz NHYABYHRMGGQJC-UHFFFAOYSA-N -1 3 385.265 3.294 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1 ZINC000604407210 566564522 /nfs/dbraw/zinc/56/45/22/566564522.db2.gz FRKDAIPJFBXRHX-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cncc(F)c1 ZINC000512892040 566565930 /nfs/dbraw/zinc/56/59/30/566565930.db2.gz UDGFMISYBWOZIX-JTQLQIEISA-N -1 3 392.283 3.157 20 0 GGADHM CC(C)c1ccsc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000673910377 566565912 /nfs/dbraw/zinc/56/59/12/566565912.db2.gz CGAWFMVIYNIQOV-UHFFFAOYSA-N -1 3 380.491 3.369 20 0 GGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(Br)cc3F)cn2c1 ZINC000578927130 566565857 /nfs/dbraw/zinc/56/58/57/566565857.db2.gz YGDRZPGPBFMMIS-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM COc1ccsc1CNCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000512874726 566565995 /nfs/dbraw/zinc/56/59/95/566565995.db2.gz SFAYAGSUJUQFCW-UHFFFAOYSA-N -1 3 395.333 3.132 20 0 GGADHM O=S(=O)([N-]CCCn1ccnc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000539171106 566566221 /nfs/dbraw/zinc/56/62/21/566566221.db2.gz VDSSNLXHLPBKJE-UHFFFAOYSA-N -1 3 382.898 3.029 20 0 GGADHM CCc1ncc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000512879310 566566791 /nfs/dbraw/zinc/56/67/91/566566791.db2.gz BTRDQQOKAMZLQG-UHFFFAOYSA-N -1 3 394.349 3.080 20 0 GGADHM CCc1ccc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000512898934 566567906 /nfs/dbraw/zinc/56/79/06/566567906.db2.gz LYKASXTZRBFKQJ-UHFFFAOYSA-N -1 3 377.293 3.217 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000559782686 566569223 /nfs/dbraw/zinc/56/92/23/566569223.db2.gz YEHVCQOXKZNHRR-JTQLQIEISA-N -1 3 379.247 3.230 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(C)C)c1 ZINC000604536509 566569742 /nfs/dbraw/zinc/56/97/42/566569742.db2.gz ISGWVCYDEQXBDF-GFCCVEGCSA-N -1 3 383.491 3.361 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)COc1ccc(F)cc1F ZINC000486246401 566571655 /nfs/dbraw/zinc/57/16/55/566571655.db2.gz VNIRBSMEQVOOCB-SNVBAGLBSA-N -1 3 391.823 3.373 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](CCC(C)C)C(C)(C)C)s1 ZINC000604595265 566572193 /nfs/dbraw/zinc/57/21/93/566572193.db2.gz FUDCFRMQAPUUTG-CQSZACIVSA-N -1 3 389.587 3.306 20 0 GGADHM COc1cc(NCc2cc([O-])ccc2Br)cc(S(C)(=O)=O)c1 ZINC000512994022 566572894 /nfs/dbraw/zinc/57/28/94/566572894.db2.gz WRHJGVIJIPBRIQ-UHFFFAOYSA-N -1 3 386.267 3.179 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000486267056 566573107 /nfs/dbraw/zinc/57/31/07/566573107.db2.gz OKICTMGYGYUQMG-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000579020513 566573427 /nfs/dbraw/zinc/57/34/27/566573427.db2.gz NGPCJJBDMNKHRN-ZDUSSCGKSA-N -1 3 399.310 3.118 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000539321873 566573541 /nfs/dbraw/zinc/57/35/41/566573541.db2.gz FRLVPUZTFCQOST-UHFFFAOYSA-N -1 3 375.475 3.050 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(OCC2CC2)nc1 ZINC000486283124 566574625 /nfs/dbraw/zinc/57/46/25/566574625.db2.gz LSJKREPKVADZMI-UHFFFAOYSA-N -1 3 382.869 3.011 20 0 GGADHM Cc1c2cc(C)ccc2sc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000486281418 566574767 /nfs/dbraw/zinc/57/47/67/566574767.db2.gz IVISKMCFKKHQNY-UHFFFAOYSA-N -1 3 394.543 3.288 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)Cc1ccncc1 ZINC000674073796 566575433 /nfs/dbraw/zinc/57/54/33/566575433.db2.gz YOPHIYXEXUPOTJ-GFCCVEGCSA-N -1 3 399.310 3.152 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000604756285 566576137 /nfs/dbraw/zinc/57/61/37/566576137.db2.gz UXOLFAFFPIBLRX-INIZCTEOSA-N -1 3 380.897 3.463 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1ccc2n[n-]nc2c1 ZINC000604756160 566576466 /nfs/dbraw/zinc/57/64/66/566576466.db2.gz LFDOJSOROILWHO-UHFFFAOYSA-N -1 3 377.217 3.222 20 0 GGADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cncc(Br)c1 ZINC000604770380 566576497 /nfs/dbraw/zinc/57/64/97/566576497.db2.gz WLMXITUUXILCRX-UHFFFAOYSA-N -1 3 388.312 3.048 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)sc1Br ZINC000539365891 566577074 /nfs/dbraw/zinc/57/70/74/566577074.db2.gz AUNORJSSEGTXPF-UHFFFAOYSA-N -1 3 396.372 3.430 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)cc1Cl ZINC000539385051 566578947 /nfs/dbraw/zinc/57/89/47/566578947.db2.gz IFFGBSOTRBWAAM-AWEZNQCLSA-N -1 3 382.309 3.077 20 0 GGADHM COc1ccc2nc([N-]S(=O)(=O)c3ccc(CN(C)C)cc3)sc2c1 ZINC000559963281 566579448 /nfs/dbraw/zinc/57/94/48/566579448.db2.gz FKSIXMSWIQMWNI-UHFFFAOYSA-N -1 3 377.491 3.167 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cn1 ZINC000466479764 566579563 /nfs/dbraw/zinc/57/95/63/566579563.db2.gz BTABYTBCLIZHNL-UHFFFAOYSA-N -1 3 393.209 3.322 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cccc(OC)c1 ZINC000513099253 566579753 /nfs/dbraw/zinc/57/97/53/566579753.db2.gz SGLLGEIOSFWOMB-LLVKDONJSA-N -1 3 383.853 3.175 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000579093795 566579680 /nfs/dbraw/zinc/57/96/80/566579680.db2.gz GXOMRWDEQFZJRJ-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1C ZINC000513121181 566580918 /nfs/dbraw/zinc/58/09/18/566580918.db2.gz ZWZRIEVZQGXBPW-CYBMUJFWSA-N -1 3 381.881 3.345 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000466517870 566581025 /nfs/dbraw/zinc/58/10/25/566581025.db2.gz KSMGADYIEVUBRC-GFCCVEGCSA-N -1 3 390.205 3.139 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc(F)ccc1Cl ZINC000559972971 566581126 /nfs/dbraw/zinc/58/11/26/566581126.db2.gz PBWBMCHKTCVNBR-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM C[C@@H]1OCC[C@@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000559987952 566581474 /nfs/dbraw/zinc/58/14/74/566581474.db2.gz RIZJVEHDMXAGSU-KWQFWETISA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1OCC[C@@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000559987952 566581483 /nfs/dbraw/zinc/58/14/83/566581483.db2.gz RIZJVEHDMXAGSU-KWQFWETISA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1OCC[C@@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000559987952 566581493 /nfs/dbraw/zinc/58/14/93/566581493.db2.gz RIZJVEHDMXAGSU-KWQFWETISA-N -1 3 376.214 3.177 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000466517872 566581544 /nfs/dbraw/zinc/58/15/44/566581544.db2.gz KSMGADYIEVUBRC-LBPRGKRZSA-N -1 3 390.205 3.139 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000513132223 566581614 /nfs/dbraw/zinc/58/16/14/566581614.db2.gz QVHUOCMJGVIWIA-UHFFFAOYSA-N -1 3 379.865 3.137 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N(C)C ZINC000674266362 566581678 /nfs/dbraw/zinc/58/16/78/566581678.db2.gz QYXSVHPNFDVWQS-LBPRGKRZSA-N -1 3 381.885 3.029 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CCC12CCC2 ZINC000674253088 566582219 /nfs/dbraw/zinc/58/22/19/566582219.db2.gz BOQPMELVLOXYSF-UHFFFAOYSA-N -1 3 382.532 3.057 20 0 GGADHM CC[C@@H](C)n1[nH]c(=NC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000539457508 566582620 /nfs/dbraw/zinc/58/26/20/566582620.db2.gz BXBVMTVBKNBUQB-SNVBAGLBSA-N -1 3 381.274 3.374 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)sc1Br ZINC000466529408 566583210 /nfs/dbraw/zinc/58/32/10/566583210.db2.gz RHOCPUBMITVHCM-JTQLQIEISA-N -1 3 392.271 3.370 20 0 GGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513142566 566583872 /nfs/dbraw/zinc/58/38/72/566583872.db2.gz DWCOFECEZKJKNT-OAHLLOKOSA-N -1 3 381.881 3.426 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000513144360 566583913 /nfs/dbraw/zinc/58/39/13/566583913.db2.gz TVTGUFWCQJVLPY-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(F)cc1Br ZINC000466547047 566584324 /nfs/dbraw/zinc/58/43/24/566584324.db2.gz YABSUPIAYJJOND-LBPRGKRZSA-N -1 3 390.205 3.139 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(F)cc1 ZINC000513158801 566584757 /nfs/dbraw/zinc/58/47/57/566584757.db2.gz CWVUEXJKUJNNNL-LLVKDONJSA-N -1 3 385.844 3.348 20 0 GGADHM O=S(=O)([N-]CCc1cn2c(n1)SCC2)c1c(Cl)ccc2ccccc21 ZINC000466563413 566586088 /nfs/dbraw/zinc/58/60/88/566586088.db2.gz BHWDLUOHSQPISY-UHFFFAOYSA-N -1 3 393.921 3.316 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000513181543 566586438 /nfs/dbraw/zinc/58/64/38/566586438.db2.gz QXFPVRIJTVVUFB-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM CC(C)[C@H]1CN(C)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486423097 566587163 /nfs/dbraw/zinc/58/71/63/566587163.db2.gz IOQWPKIBVSJIGW-CQSZACIVSA-N -1 3 392.297 3.115 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(OC)cc1 ZINC000513171718 566587352 /nfs/dbraw/zinc/58/73/52/566587352.db2.gz RGXUVROPTAIHFZ-LLVKDONJSA-N -1 3 383.853 3.175 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000513186630 566587383 /nfs/dbraw/zinc/58/73/83/566587383.db2.gz MFFZWZYJBZMKQY-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560027417 566587525 /nfs/dbraw/zinc/58/75/25/566587525.db2.gz GLBTUAOBAIMAAI-LLVKDONJSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@@H]1C ZINC000513169253 566587648 /nfs/dbraw/zinc/58/76/48/566587648.db2.gz BWFVGDTUIZPULR-SWLSCSKDSA-N -1 3 389.901 3.000 20 0 GGADHM Cc1nc(C)c([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 ZINC000674349293 566588325 /nfs/dbraw/zinc/58/83/25/566588325.db2.gz JGIDKQFYOOCIHL-UHFFFAOYSA-N -1 3 385.536 3.248 20 0 GGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000560037648 566588327 /nfs/dbraw/zinc/58/83/27/566588327.db2.gz UJRUYXNMSHQYAY-NEPJUHHUSA-N -1 3 390.933 3.153 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000674346181 566588684 /nfs/dbraw/zinc/58/86/84/566588684.db2.gz JARVQJFWVAJAJF-GFCCVEGCSA-N -1 3 395.750 3.255 20 0 GGADHM C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1)C(F)(F)F ZINC000424943439 566588645 /nfs/dbraw/zinc/58/86/45/566588645.db2.gz JJZGQNZTYLNOFM-SNVBAGLBSA-N -1 3 398.472 3.430 20 0 GGADHM O=C1CCOc2ccc(S(=O)(=O)[N-][C@@H](C3CCCC3)C(F)(F)F)cc21 ZINC000579207786 566589477 /nfs/dbraw/zinc/58/94/77/566589477.db2.gz YUCBCDGALCEQMI-HNNXBMFYSA-N -1 3 377.384 3.051 20 0 GGADHM O=C1CCOc2ccc(S(=O)(=O)[N-][C@H](C3CCCC3)C(F)(F)F)cc21 ZINC000579207787 566589584 /nfs/dbraw/zinc/58/95/84/566589584.db2.gz YUCBCDGALCEQMI-OAHLLOKOSA-N -1 3 377.384 3.051 20 0 GGADHM CC(C)(C)Cc1csc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000539577830 566589854 /nfs/dbraw/zinc/58/98/54/566589854.db2.gz CULKSNZBZSMOGY-UHFFFAOYSA-N -1 3 385.486 3.495 20 0 GGADHM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1)C(F)(F)F ZINC000424954530 566590374 /nfs/dbraw/zinc/59/03/74/566590374.db2.gz JJZGQNZTYLNOFM-JTQLQIEISA-N -1 3 398.472 3.430 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(C)(C)C(C)C)c1OC ZINC000560040042 566590879 /nfs/dbraw/zinc/59/08/79/566590879.db2.gz CFMQZEJQXPPIEV-UHFFFAOYSA-N -1 3 377.890 3.096 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c[n-]1 ZINC000560055917 566592467 /nfs/dbraw/zinc/59/24/67/566592467.db2.gz YKQWIHMBWJBCNH-UHFFFAOYSA-N -1 3 376.825 3.149 20 0 GGADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000539639321 566593592 /nfs/dbraw/zinc/59/35/92/566593592.db2.gz VJYWNINDGPWPQN-STQMWFEESA-N -1 3 394.306 3.460 20 0 GGADHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000466718544 566593863 /nfs/dbraw/zinc/59/38/63/566593863.db2.gz OGLZTZWATRDBAP-AWEZNQCLSA-N -1 3 388.316 3.325 20 0 GGADHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000466720338 566593918 /nfs/dbraw/zinc/59/39/18/566593918.db2.gz PFDBTAZUXWXIAA-AWEZNQCLSA-N -1 3 388.316 3.325 20 0 GGADHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000466745396 566596035 /nfs/dbraw/zinc/59/60/35/566596035.db2.gz ZZUOEOJOUQXMQI-AWEZNQCLSA-N -1 3 388.316 3.325 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1cc(Cl)ccc1Cl ZINC000605164416 566598399 /nfs/dbraw/zinc/59/83/99/566598399.db2.gz DVXRWNJTEDGKMC-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c1 ZINC000579331449 566599080 /nfs/dbraw/zinc/59/90/80/566599080.db2.gz FZJDDRHPEKVGLW-HNNXBMFYSA-N -1 3 398.278 3.008 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c(Cl)c1 ZINC000486562843 566599217 /nfs/dbraw/zinc/59/92/17/566599217.db2.gz RBVYMRFSCMHFEF-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000486571530 566599258 /nfs/dbraw/zinc/59/92/58/566599258.db2.gz BSLFSUTZMZOBIK-LBPRGKRZSA-N -1 3 385.869 3.103 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1F ZINC000486569531 566599295 /nfs/dbraw/zinc/59/92/95/566599295.db2.gz XPINNLPZIJOQAL-JTQLQIEISA-N -1 3 385.848 3.270 20 0 GGADHM Cc1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc(Cl)c1Br ZINC000560116492 566599848 /nfs/dbraw/zinc/59/98/48/566599848.db2.gz HUVQSDVNOXCMKT-UHFFFAOYSA-N -1 3 394.603 3.420 20 0 GGADHM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCN(c2ccncc2)CC1 ZINC000674602442 566599862 /nfs/dbraw/zinc/59/98/62/566599862.db2.gz DYEMOEWGPWYAOV-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C(C)(C)O1 ZINC000539765328 566600343 /nfs/dbraw/zinc/60/03/43/566600343.db2.gz MAVRHHOCGNUBGL-GFCCVEGCSA-N -1 3 380.279 3.213 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1ccc(C2CCCC2)cc1 ZINC000579340007 566600712 /nfs/dbraw/zinc/60/07/12/566600712.db2.gz ZTNOHTJLKXUKAU-UHFFFAOYSA-N -1 3 378.519 3.114 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)Nc2cccc(SC)c2C)ccc1F ZINC000486579848 566600730 /nfs/dbraw/zinc/60/07/30/566600730.db2.gz UIRWNWVPSNQOLE-UHFFFAOYSA-N -1 3 383.470 3.408 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000513434591 566601355 /nfs/dbraw/zinc/60/13/55/566601355.db2.gz OJGNEEXKUYYXRZ-UHFFFAOYSA-N -1 3 386.832 3.420 20 0 GGADHM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cc2)n1 ZINC000605290954 566602079 /nfs/dbraw/zinc/60/20/79/566602079.db2.gz DIBZRWCHPMOCGY-OAHLLOKOSA-N -1 3 379.507 3.165 20 0 GGADHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000486603978 566602219 /nfs/dbraw/zinc/60/22/19/566602219.db2.gz KSDLCLGLDRZDLU-UHFFFAOYSA-N -1 3 391.237 3.163 20 0 GGADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1(C)C ZINC000466870557 566603212 /nfs/dbraw/zinc/60/32/12/566603212.db2.gz MZKIEBCENRTZHC-OCCSQVGLSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000674666946 566603266 /nfs/dbraw/zinc/60/32/66/566603266.db2.gz SZBRGJMBKHRCIL-SNVBAGLBSA-N -1 3 398.278 3.300 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(CC)c1C)c1nc(C(F)(F)F)cs1 ZINC000466854323 566603312 /nfs/dbraw/zinc/60/33/12/566603312.db2.gz IAWZDEBGKVWGQT-SNVBAGLBSA-N -1 3 396.460 3.425 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@](C)(OC)C2(C)C)cc1Cl ZINC000466883210 566604388 /nfs/dbraw/zinc/60/43/88/566604388.db2.gz OMPITJXMNRGQTI-UKRRQHHQSA-N -1 3 382.309 3.484 20 0 GGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1(C)C ZINC000466885703 566604617 /nfs/dbraw/zinc/60/46/17/566604617.db2.gz ASLONVMSXJBRIE-GXFFZTMASA-N -1 3 382.345 3.301 20 0 GGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1(C)C ZINC000466885705 566604830 /nfs/dbraw/zinc/60/48/30/566604830.db2.gz ASLONVMSXJBRIE-ZWNOBZJWSA-N -1 3 382.345 3.301 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@](C)(OC)C2(C)C)cc1Cl ZINC000466883211 566605008 /nfs/dbraw/zinc/60/50/08/566605008.db2.gz OMPITJXMNRGQTI-ZFWWWQNUSA-N -1 3 382.309 3.484 20 0 GGADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000486624125 566605565 /nfs/dbraw/zinc/60/55/65/566605565.db2.gz DRSITIUYZCEAEK-QMMMGPOBSA-N -1 3 393.412 3.024 20 0 GGADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1N1CCNC1=O ZINC000674744271 566605804 /nfs/dbraw/zinc/60/58/04/566605804.db2.gz BNEPTRKOHPDQPG-UHFFFAOYSA-N -1 3 390.237 3.245 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]C[C@@H](OC)c1ccc(F)cc1 ZINC000466895145 566605800 /nfs/dbraw/zinc/60/58/00/566605800.db2.gz YHULSRJZCFVXQD-QGZVFWFLSA-N -1 3 387.860 3.295 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@](C)(OC)C2(C)C)c(Cl)c1Cl ZINC000466896626 566606197 /nfs/dbraw/zinc/60/61/97/566606197.db2.gz DAKYPJZZVYRPEG-NHYWBVRUSA-N -1 3 382.309 3.484 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000513519984 566606706 /nfs/dbraw/zinc/60/67/06/566606706.db2.gz SVABCGMNQTWBBX-UHFFFAOYSA-N -1 3 398.859 3.488 20 0 GGADHM O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(Br)ccc1[O-] ZINC000674745518 566607056 /nfs/dbraw/zinc/60/70/56/566607056.db2.gz YYNRDIPRFOZYGI-UHFFFAOYSA-N -1 3 388.221 3.375 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000539840898 566607088 /nfs/dbraw/zinc/60/70/88/566607088.db2.gz PLITXDDUBJKFGV-UHFFFAOYSA-N -1 3 389.209 3.201 20 0 GGADHM CO[C@]1(C)C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486650273 566607727 /nfs/dbraw/zinc/60/77/27/566607727.db2.gz KBEGOWDQORCKDM-WMLDXEAASA-N -1 3 385.302 3.500 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486644959 566608166 /nfs/dbraw/zinc/60/81/66/566608166.db2.gz JQHLIVAYHBCXEB-GJZGRUSLSA-N -1 3 385.302 3.500 20 0 GGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000486650083 566608312 /nfs/dbraw/zinc/60/83/12/566608312.db2.gz HWXPXRSWUZOPSV-CQSZACIVSA-N -1 3 386.256 3.300 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 ZINC000486652373 566608516 /nfs/dbraw/zinc/60/85/16/566608516.db2.gz PPVFVHHUEOLDGU-NXEZZACHSA-N -1 3 376.404 3.377 20 0 GGADHM O=C(NCCSCC(F)(F)F)NCc1ccc([O-])c(Br)c1 ZINC000539884494 566609817 /nfs/dbraw/zinc/60/98/17/566609817.db2.gz QSNYZCSNOIPDTC-UHFFFAOYSA-N -1 3 387.221 3.249 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)s1 ZINC000466923951 566608686 /nfs/dbraw/zinc/60/86/86/566608686.db2.gz GEXYPNIGFHJXHI-UHFFFAOYSA-N -1 3 398.344 3.219 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)cc1Cl ZINC000466923903 566608750 /nfs/dbraw/zinc/60/87/50/566608750.db2.gz NERBMPDBLSRALA-UHFFFAOYSA-N -1 3 398.308 3.402 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCOCC1 ZINC000466926890 566609232 /nfs/dbraw/zinc/60/92/32/566609232.db2.gz NJIZYNUKJMEUIA-UHFFFAOYSA-N -1 3 382.309 3.487 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c(Cl)c1Cl ZINC000466932482 566609521 /nfs/dbraw/zinc/60/95/21/566609521.db2.gz BCFYVMUWNKQXBU-UHFFFAOYSA-N -1 3 398.308 3.402 20 0 GGADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000425170478 566609526 /nfs/dbraw/zinc/60/95/26/566609526.db2.gz AFWPVSPSPXEMLG-OAHLLOKOSA-N -1 3 392.279 3.328 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCOCC1 ZINC000466927950 566609620 /nfs/dbraw/zinc/60/96/20/566609620.db2.gz 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O=C(CCCC(F)(F)F)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000539962214 566618731 /nfs/dbraw/zinc/61/87/31/566618731.db2.gz LQTYMBVPTWDVOR-UHFFFAOYSA-N -1 3 392.321 3.198 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(F)c(F)c(F)c1F ZINC000513737550 566621175 /nfs/dbraw/zinc/62/11/75/566621175.db2.gz DSCIAGAOOXSOFP-UHFFFAOYSA-N -1 3 388.118 3.327 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CCCCC1(F)F ZINC000449976547 566621300 /nfs/dbraw/zinc/62/13/00/566621300.db2.gz CCNDKUNENBHTRQ-LBPRGKRZSA-N -1 3 376.400 3.030 20 0 GGADHM C[C@H](CSc1ccccc1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000652625459 566622097 /nfs/dbraw/zinc/62/20/97/566622097.db2.gz ASPKASHRQHYDAK-CQSZACIVSA-N -1 3 398.575 3.056 20 0 GGADHM C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000652624877 566622154 /nfs/dbraw/zinc/62/21/54/566622154.db2.gz OZZGAJRBWAQGJX-AWEZNQCLSA-N -1 3 378.519 3.311 20 0 GGADHM C[C@@]1(c2cccc(C(=O)NCc3cc(Cl)sc3Cl)c2)NC(=O)[N-]C1=O ZINC000540016946 566623261 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COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(CSC)c1)c1ccccc1 ZINC000560439983 566625349 /nfs/dbraw/zinc/62/53/49/566625349.db2.gz AZCCAYTWOYTYQO-KRWDZBQOSA-N -1 3 379.503 3.248 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)s1 ZINC000486823218 566625425 /nfs/dbraw/zinc/62/54/25/566625425.db2.gz KELYKHLFFLYYMN-UHFFFAOYSA-N -1 3 383.495 3.447 20 0 GGADHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000540068722 566625545 /nfs/dbraw/zinc/62/55/45/566625545.db2.gz HOCGAOTZMVQSBZ-BONVTDFDSA-N -1 3 375.899 3.465 20 0 GGADHM CC(C)O[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000652747947 566627071 /nfs/dbraw/zinc/62/70/71/566627071.db2.gz IILYKLQRRVUSCW-CYBMUJFWSA-N -1 3 393.281 3.320 20 0 GGADHM NC(=O)[C@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000467115728 566627444 /nfs/dbraw/zinc/62/74/44/566627444.db2.gz IMVPXYOJACEDNJ-HOCLYGCPSA-N -1 3 380.897 3.206 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)c(Br)c1 ZINC000467120674 566627617 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CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC(C)C)C(C)C)cc1 ZINC000606455860 566630294 /nfs/dbraw/zinc/63/02/94/566630294.db2.gz BVWBRDZMHUMDRZ-UHFFFAOYSA-N -1 3 390.571 3.284 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1cc(Cl)ccc1C(F)(F)F ZINC000560470406 566630299 /nfs/dbraw/zinc/63/02/99/566630299.db2.gz PKEUJSROICPMCG-UHFFFAOYSA-N -1 3 381.807 3.314 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2Br)c1 ZINC000513850111 566630427 /nfs/dbraw/zinc/63/04/27/566630427.db2.gz NENDMWWTBFBONS-LBPRGKRZSA-N -1 3 386.315 3.136 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000606455492 566630714 /nfs/dbraw/zinc/63/07/14/566630714.db2.gz GANYVUUKRPJRML-AWEZNQCLSA-N -1 3 390.571 3.284 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000606454925 566631530 /nfs/dbraw/zinc/63/15/30/566631530.db2.gz SYLODLKQNVYFBG-YOEHRIQHSA-N -1 3 388.555 3.085 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000606454922 566631545 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ZINC000515066416 566689137 /nfs/dbraw/zinc/68/91/37/566689137.db2.gz RJWUJHOUHXWQII-QWHCGFSZSA-N -1 3 396.203 3.128 20 0 GGADHM COc1cc(CC(=O)Nc2ccc(Br)cc2[O-])cc(OC)c1OC ZINC000515078411 566690710 /nfs/dbraw/zinc/69/07/10/566690710.db2.gz HULGVPVYYPAXQQ-UHFFFAOYSA-N -1 3 396.237 3.362 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cs1 ZINC000608020572 566691124 /nfs/dbraw/zinc/69/11/24/566691124.db2.gz BZYOSBGZIVJJOG-UHFFFAOYSA-N -1 3 382.898 3.078 20 0 GGADHM Cc1c(C[N-]S(=O)(=O)c2cnn3c2OCCC3)sc2ccc(Cl)cc12 ZINC000580419595 566691916 /nfs/dbraw/zinc/69/19/16/566691916.db2.gz DVYULNHTSMJZPZ-UHFFFAOYSA-N -1 3 397.909 3.321 20 0 GGADHM CCc1cc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)on1 ZINC000580439189 566692695 /nfs/dbraw/zinc/69/26/95/566692695.db2.gz SKXAIVPNSCHRJL-UHFFFAOYSA-N -1 3 393.690 3.273 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000676420096 566693096 /nfs/dbraw/zinc/69/30/96/566693096.db2.gz LDNBKIUDUFDEEA-INIZCTEOSA-N -1 3 386.905 3.108 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(Cl)c1Cl ZINC000608033025 566693695 /nfs/dbraw/zinc/69/36/95/566693695.db2.gz NANVSNZNIMRUMW-ZWZTZDBGSA-N -1 3 394.320 3.484 20 0 GGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)n1 ZINC000468275210 566693676 /nfs/dbraw/zinc/69/36/76/566693676.db2.gz WTJGGMQZLZLHOV-INIZCTEOSA-N -1 3 384.263 3.398 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ncc(C)s1 ZINC000608037221 566694176 /nfs/dbraw/zinc/69/41/76/566694176.db2.gz XEALKGIZZDPFHY-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000608034823 566694277 /nfs/dbraw/zinc/69/42/77/566694277.db2.gz NJXWKCIXQUVNBL-NSHDSACASA-N -1 3 394.331 3.330 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000608033032 566694506 /nfs/dbraw/zinc/69/45/06/566694506.db2.gz NBTOEVJOHYMDSH-TZTCFGBESA-N -1 3 394.320 3.484 20 0 GGADHM CCO[C@H]1C[C@@](N)(C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1(C)C ZINC000580442490 566694565 /nfs/dbraw/zinc/69/45/65/566694565.db2.gz CQEMFECBHUEYHI-XHDPSFHLSA-N -1 3 391.693 3.279 20 0 GGADHM CCO[C@H]1C[C@](N)(C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1(C)C ZINC000580442489 566694926 /nfs/dbraw/zinc/69/49/26/566694926.db2.gz CQEMFECBHUEYHI-NHYWBVRUSA-N -1 3 391.693 3.279 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000515173343 566695967 /nfs/dbraw/zinc/69/59/67/566695967.db2.gz YNEPWIGUCSGLPZ-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM COc1ccc([C@H](NC(=O)c2cc([O-])cc(Br)c2)C2CC2)cn1 ZINC000629934497 566696316 /nfs/dbraw/zinc/69/63/16/566696316.db2.gz FVDHNOGOPHMSKV-MRXNPFEDSA-N -1 3 377.238 3.439 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)s1 ZINC000608040489 566696330 /nfs/dbraw/zinc/69/63/30/566696330.db2.gz AGNVVDZBPHERSS-CHWSQXEVSA-N -1 3 398.575 3.404 20 0 GGADHM CC(=O)N1CCc2cc(C(=O)Nc3ccc(Br)cc3[O-])ccc21 ZINC000515239081 566698903 /nfs/dbraw/zinc/69/89/03/566698903.db2.gz CGOFDHFZLKGPDE-UHFFFAOYSA-N -1 3 375.222 3.316 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1C ZINC000515231746 566699369 /nfs/dbraw/zinc/69/93/69/566699369.db2.gz HPOLWCPHWVOTRF-LBPRGKRZSA-N -1 3 377.890 3.238 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1C ZINC000515231745 566699923 /nfs/dbraw/zinc/69/99/23/566699923.db2.gz HPOLWCPHWVOTRF-GFCCVEGCSA-N -1 3 377.890 3.238 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C)ncc1C ZINC000676559654 566700343 /nfs/dbraw/zinc/70/03/43/566700343.db2.gz INQRPTCQDJUHLF-UHFFFAOYSA-N -1 3 385.283 3.082 20 0 GGADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)OC ZINC000676564726 566700370 /nfs/dbraw/zinc/70/03/70/566700370.db2.gz OSTLKGOASGDBCP-IUODEOHRSA-N -1 3 390.571 3.065 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)ncn2C)c1nc(C(F)(F)F)cs1 ZINC000580506303 566700339 /nfs/dbraw/zinc/70/03/39/566700339.db2.gz CTJNMADCWMJQIU-MRVPVSSYSA-N -1 3 390.412 3.088 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)c(C)c1F ZINC000541172245 566701512 /nfs/dbraw/zinc/70/15/12/566701512.db2.gz KZDWLBLTUVRYIA-UHFFFAOYSA-N -1 3 389.246 3.409 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000561401993 566701673 /nfs/dbraw/zinc/70/16/73/566701673.db2.gz USSKOPOLZNJFJF-LLVKDONJSA-N -1 3 391.465 3.136 20 0 GGADHM Cc1cc(C)c(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000676591424 566702069 /nfs/dbraw/zinc/70/20/69/566702069.db2.gz TYCPRQWCWPJJGK-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1(C)C ZINC000541212813 566702373 /nfs/dbraw/zinc/70/23/73/566702373.db2.gz MYGFXVPXAVNXIL-VXGBXAGGSA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCCC[C@H]1O ZINC000541212410 566702592 /nfs/dbraw/zinc/70/25/92/566702592.db2.gz PXHUDSHMDLGOBV-KGLIPLIRSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541210885 566703343 /nfs/dbraw/zinc/70/33/43/566703343.db2.gz HIAKKZNNOAXCOZ-SNVBAGLBSA-N -1 3 389.702 3.407 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)c1ccccc1 ZINC000541209217 566703375 /nfs/dbraw/zinc/70/33/75/566703375.db2.gz FYNBJTVAQKPVCR-ZDUSSCGKSA-N -1 3 388.258 3.254 20 0 GGADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000515308299 566704289 /nfs/dbraw/zinc/70/42/89/566704289.db2.gz JEKLQARVRDJUBI-SNVBAGLBSA-N -1 3 380.242 3.166 20 0 GGADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000515308299 566704291 /nfs/dbraw/zinc/70/42/91/566704291.db2.gz JEKLQARVRDJUBI-SNVBAGLBSA-N -1 3 380.242 3.166 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000515349264 566706948 /nfs/dbraw/zinc/70/69/48/566706948.db2.gz DCHFXJHNFWETQR-FPMFFAJLSA-N -1 3 379.881 3.313 20 0 GGADHM CC(C)CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000561465529 566707973 /nfs/dbraw/zinc/70/79/73/566707973.db2.gz IGLKGNMNUDRYEL-UHFFFAOYSA-N -1 3 386.926 3.369 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC(C2CCCC2)CC1 ZINC000608170035 566708006 /nfs/dbraw/zinc/70/80/06/566708006.db2.gz BLQGXVGWLPAOKL-UHFFFAOYSA-N -1 3 390.958 3.109 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cs1 ZINC000426391968 566707991 /nfs/dbraw/zinc/70/79/91/566707991.db2.gz UNQGSJXNYFIQNY-UHFFFAOYSA-N -1 3 379.848 3.286 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c1 ZINC000515379362 566708285 /nfs/dbraw/zinc/70/82/85/566708285.db2.gz VPUUJJPJXPRPQQ-GHMZBOCLSA-N -1 3 379.295 3.074 20 0 GGADHM O=S(=O)([N-]CCNc1cnc(-c2ccccc2)cn1)c1ccc(Cl)s1 ZINC000488131297 566709344 /nfs/dbraw/zinc/70/93/44/566709344.db2.gz XSXRKRXSIDADOO-UHFFFAOYSA-N -1 3 394.909 3.249 20 0 GGADHM CN1CC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000676824545 566709708 /nfs/dbraw/zinc/70/97/08/566709708.db2.gz MNWWNMQGMMARMM-AWEZNQCLSA-N -1 3 375.266 3.395 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1O ZINC000676843780 566710456 /nfs/dbraw/zinc/71/04/56/566710456.db2.gz HBPSFYJFOVHAMM-UHFFFAOYSA-N -1 3 376.261 3.229 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H](CO)c1cc(F)ccc1F ZINC000676848214 566710464 /nfs/dbraw/zinc/71/04/64/566710464.db2.gz AUOZJCSVIAXWLV-OAHLLOKOSA-N -1 3 396.242 3.425 20 0 GGADHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000561496365 566710475 /nfs/dbraw/zinc/71/04/75/566710475.db2.gz PJGAIMZXRWKWJM-UHFFFAOYSA-N -1 3 399.097 3.266 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@H](CO)c1cc(F)ccc1F ZINC000676848971 566711194 /nfs/dbraw/zinc/71/11/94/566711194.db2.gz NRFBPPJAHKSKQS-OAHLLOKOSA-N -1 3 396.242 3.425 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1 ZINC000676849591 566711402 /nfs/dbraw/zinc/71/14/02/566711402.db2.gz XCSKSFBBUSHTLP-AWEZNQCLSA-N -1 3 382.215 3.284 20 0 GGADHM C[C@](CO)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000676850167 566711421 /nfs/dbraw/zinc/71/14/21/566711421.db2.gz BBRAEGHRPINYLL-OAHLLOKOSA-N -1 3 377.359 3.031 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)s1 ZINC000676849157 566711466 /nfs/dbraw/zinc/71/14/66/566711466.db2.gz RFIWEVFTZNNBIC-ZDUSSCGKSA-N -1 3 375.462 3.336 20 0 GGADHM C[C@@](CO)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000676850165 566711480 /nfs/dbraw/zinc/71/14/80/566711480.db2.gz BBRAEGHRPINYLL-HNNXBMFYSA-N -1 3 377.359 3.031 20 0 GGADHM Cc1ccc(Cl)c2sc(NC(=O)c3cncc([N-]S(C)(=O)=O)c3)nc21 ZINC000561510591 566712073 /nfs/dbraw/zinc/71/20/73/566712073.db2.gz ZXVOZYRFNYMZGU-UHFFFAOYSA-N -1 3 396.881 3.277 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(CO)CCCCC2)s1 ZINC000676865115 566712453 /nfs/dbraw/zinc/71/24/53/566712453.db2.gz XZMCGCDCIKLNRT-UHFFFAOYSA-N -1 3 382.345 3.040 20 0 GGADHM O=C([O-])[C@H]1CCC[C@@H](NCc2ccc(F)cc2I)C1 ZINC000580646901 566712432 /nfs/dbraw/zinc/71/24/32/566712432.db2.gz QCPAJTGGRUSSHJ-JOYOIKCWSA-N -1 3 377.197 3.163 20 0 GGADHM C[C@H](c1ccccc1Br)N(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000426441961 566712598 /nfs/dbraw/zinc/71/25/98/566712598.db2.gz HYWRZYIMYGULIW-GFCCVEGCSA-N -1 3 391.265 3.104 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000676863575 566712941 /nfs/dbraw/zinc/71/29/41/566712941.db2.gz RJLLEKGPTVEGRB-FZMZJTMJSA-N -1 3 386.926 3.293 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000580672125 566713565 /nfs/dbraw/zinc/71/35/65/566713565.db2.gz LBBPUKNPOVYCQO-VFZGTOFNSA-N -1 3 386.242 3.389 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)s1 ZINC000561521411 566713850 /nfs/dbraw/zinc/71/38/50/566713850.db2.gz SPOSHOBKCPCXPP-DYQSUWPFSA-N -1 3 399.925 3.431 20 0 GGADHM O=S(=O)([N-][C@@H](CO)C1CCCC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000580679951 566714097 /nfs/dbraw/zinc/71/40/97/566714097.db2.gz XYCQWGHYMKLTJT-INIZCTEOSA-N -1 3 387.929 3.348 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Br)cc12 ZINC000541311461 566715059 /nfs/dbraw/zinc/71/50/59/566715059.db2.gz LDQZZLGGYDCYJB-UHFFFAOYSA-N -1 3 398.282 3.056 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NCc1cnc(C)[n-]c1=O ZINC000541311569 566715227 /nfs/dbraw/zinc/71/52/27/566715227.db2.gz VQQBDHJFZKPMJT-UHFFFAOYSA-N -1 3 383.882 3.146 20 0 GGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1c[nH]c(=O)c(Br)c1 ZINC000608359891 566715378 /nfs/dbraw/zinc/71/53/78/566715378.db2.gz WCJSCCUZRFBGCO-UHFFFAOYSA-N -1 3 393.628 3.267 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538329 566717036 /nfs/dbraw/zinc/71/70/36/566717036.db2.gz LRLHEZNJBAHGNX-MFKMUULPSA-N -1 3 385.379 3.206 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(=O)n(C)c1 ZINC000488255033 566717596 /nfs/dbraw/zinc/71/75/96/566717596.db2.gz NWVTVLDHALJYBS-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000580730424 566717956 /nfs/dbraw/zinc/71/79/56/566717956.db2.gz FRVXHEQDJOZQDX-UHFFFAOYSA-N -1 3 393.818 3.370 20 0 GGADHM COC[C@H](CSc1ncc(C(=O)OC)[n-]1)c1ccc(Br)cc1 ZINC000450906918 566718665 /nfs/dbraw/zinc/71/86/65/566718665.db2.gz SDUCRXACWHSUSR-LLVKDONJSA-N -1 3 385.283 3.481 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(F)cc2)sc1Cl ZINC000580732290 566718598 /nfs/dbraw/zinc/71/85/98/566718598.db2.gz KJNMHLBVGITADO-CYBMUJFWSA-N -1 3 376.906 3.430 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000561559062 566719522 /nfs/dbraw/zinc/71/95/22/566719522.db2.gz KFJMMITXZNPSKY-VIFPVBQESA-N -1 3 398.319 3.018 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000561559061 566719545 /nfs/dbraw/zinc/71/95/45/566719545.db2.gz KFJMMITXZNPSKY-SECBINFHSA-N -1 3 398.319 3.018 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1Br ZINC000561559917 566719690 /nfs/dbraw/zinc/71/96/90/566719690.db2.gz WUUPHKCUAFEUKZ-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000561558423 566720275 /nfs/dbraw/zinc/72/02/75/566720275.db2.gz SQCQNMWUTUYPHB-XLKFXECMSA-N -1 3 376.331 3.040 20 0 GGADHM CCSc1cccc(-c2noc(-c3cc(S(=O)(=O)[N-]C)oc3C)n2)c1 ZINC000426606161 566720596 /nfs/dbraw/zinc/72/05/96/566720596.db2.gz USWCEBXSUSIWMX-UHFFFAOYSA-N -1 3 379.463 3.325 20 0 GGADHM [O-]c1cccc(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1Br ZINC000580759953 566720948 /nfs/dbraw/zinc/72/09/48/566720948.db2.gz NDSYBYMJOWLCQV-OCCSQVGLSA-N -1 3 394.269 3.425 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C3CCC3)cc2)s1 ZINC000515544673 566721088 /nfs/dbraw/zinc/72/10/88/566721088.db2.gz ZKIKOHABRXGUSD-UHFFFAOYSA-N -1 3 379.507 3.245 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541385311 566721575 /nfs/dbraw/zinc/72/15/75/566721575.db2.gz CTRFFBZYMQHZAW-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000561560273 566722094 /nfs/dbraw/zinc/72/20/94/566722094.db2.gz KHKDXZGKLDCADX-WPPNPWJKSA-N -1 3 392.271 3.450 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2ccsc2Br)no1 ZINC000580788425 566722799 /nfs/dbraw/zinc/72/27/99/566722799.db2.gz VLLMRXCZGDBEMI-UHFFFAOYSA-N -1 3 393.328 3.416 20 0 GGADHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000541390794 566723154 /nfs/dbraw/zinc/72/31/54/566723154.db2.gz TZWUSRNDFXUMJR-VHSXEESVSA-N -1 3 375.899 3.421 20 0 GGADHM CCSc1nnc([N-]C(=O)c2nnn(-c3cccc(Cl)c3)c2C)s1 ZINC000515608453 566723475 /nfs/dbraw/zinc/72/34/75/566723475.db2.gz QIGGZXANEJKKTE-UHFFFAOYSA-N -1 3 380.886 3.445 20 0 GGADHM COc1ccc(Br)c(CNCCc2nc(C)c(C(=O)[O-])s2)c1 ZINC000426685397 566723375 /nfs/dbraw/zinc/72/33/75/566723375.db2.gz HPTRWBLJKFDTBX-UHFFFAOYSA-N -1 3 385.283 3.253 20 0 GGADHM O=C([O-])COc1ccc(CCNCc2ccc(F)cc2Br)cc1 ZINC000426687573 566723408 /nfs/dbraw/zinc/72/34/08/566723408.db2.gz RJXNJZHRKWINPY-UHFFFAOYSA-N -1 3 382.229 3.384 20 0 GGADHM CC(C)(CF)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000580780517 566723575 /nfs/dbraw/zinc/72/35/75/566723575.db2.gz KTHITXGOAQNPJZ-UHFFFAOYSA-N -1 3 375.625 3.422 20 0 GGADHM CC(C)(CF)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000580780517 566723578 /nfs/dbraw/zinc/72/35/78/566723578.db2.gz KTHITXGOAQNPJZ-UHFFFAOYSA-N -1 3 375.625 3.422 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000515623219 566723909 /nfs/dbraw/zinc/72/39/09/566723909.db2.gz FFVIUPZMJBYBHM-UHFFFAOYSA-N -1 3 387.816 3.222 20 0 GGADHM Cc1nc(CCNCc2cc(Cl)c3c(c2)OCCCO3)sc1C(=O)[O-] ZINC000426688383 566723969 /nfs/dbraw/zinc/72/39/69/566723969.db2.gz VJWVDNMBWYUPCT-UHFFFAOYSA-N -1 3 382.869 3.297 20 0 GGADHM CC(C)C1CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000677122666 566724082 /nfs/dbraw/zinc/72/40/82/566724082.db2.gz XBUPXGBUOKBIGO-UHFFFAOYSA-N -1 3 384.548 3.016 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000580805390 566724182 /nfs/dbraw/zinc/72/41/82/566724182.db2.gz RSADVUKURKFTEQ-UWVGGRQHSA-N -1 3 398.834 3.037 20 0 GGADHM COc1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc(Br)c1[O-] ZINC000426739287 566724873 /nfs/dbraw/zinc/72/48/73/566724873.db2.gz BDVSEGRULPGOLK-AWEZNQCLSA-N -1 3 398.228 3.088 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000580813076 566725030 /nfs/dbraw/zinc/72/50/30/566725030.db2.gz ALCFVSLRXUMAAG-UHFFFAOYSA-N -1 3 386.876 3.491 20 0 GGADHM CSc1cc(Br)ccc1CN[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000426719954 566725153 /nfs/dbraw/zinc/72/51/53/566725153.db2.gz KAGYUCXAWCWHBG-CQSZACIVSA-N -1 3 398.326 3.227 20 0 GGADHM CCC(C)(C)c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000468744109 566725452 /nfs/dbraw/zinc/72/54/52/566725452.db2.gz KTGBGUPVGGCAOJ-UHFFFAOYSA-N -1 3 394.269 3.038 20 0 GGADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1ncc(Br)cc1Br ZINC000426735599 566725644 /nfs/dbraw/zinc/72/56/44/566725644.db2.gz UPZMGTNWTBCTJA-YPMHNXCESA-N -1 3 392.091 3.340 20 0 GGADHM COc1cc(C[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])cc(Br)c1[O-] ZINC000426739288 566725819 /nfs/dbraw/zinc/72/58/19/566725819.db2.gz BDVSEGRULPGOLK-CQSZACIVSA-N -1 3 398.228 3.088 20 0 GGADHM Cc1ncc(CNC(=O)CCCSc2ccc(Br)cc2)c(=O)[n-]1 ZINC000541462747 566726153 /nfs/dbraw/zinc/72/61/53/566726153.db2.gz YVRDDJWXLTVMJX-UHFFFAOYSA-N -1 3 396.310 3.442 20 0 GGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000677144183 566727079 /nfs/dbraw/zinc/72/70/79/566727079.db2.gz OJRKIKUKJIIGFM-NWDGAFQWSA-N -1 3 381.464 3.192 20 0 GGADHM COc1ccc(CN[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c(Br)c1O ZINC000426744859 566727451 /nfs/dbraw/zinc/72/74/51/566727451.db2.gz DVVAULGFEGXMEX-ZDUSSCGKSA-N -1 3 398.228 3.088 20 0 GGADHM Cc1cccc([C@@H]2CCN(C(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)C2)c1 ZINC000541482513 566727852 /nfs/dbraw/zinc/72/78/52/566727852.db2.gz LNYNPFWHZDJLOV-CQSZACIVSA-N -1 3 398.937 3.004 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)c1Cl ZINC000515709259 566728610 /nfs/dbraw/zinc/72/86/10/566728610.db2.gz IXENVHLJODOPKZ-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1cc(Br)ccc1F ZINC000426772495 566728568 /nfs/dbraw/zinc/72/85/68/566728568.db2.gz KEQPGXHBVXVJFX-AWEZNQCLSA-N -1 3 396.212 3.102 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccs1 ZINC000450978877 566728639 /nfs/dbraw/zinc/72/86/39/566728639.db2.gz GOHVJFIYLCFVHZ-CQSZACIVSA-N -1 3 376.906 3.263 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1ccc(F)cc1Br ZINC000426776047 566729222 /nfs/dbraw/zinc/72/92/22/566729222.db2.gz FCWZCKCZPMVQPH-CQSZACIVSA-N -1 3 396.212 3.102 20 0 GGADHM CCCSC[C@@H](NCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000426779245 566729342 /nfs/dbraw/zinc/72/93/42/566729342.db2.gz FRGQVDPGFGGKOH-GFCCVEGCSA-N -1 3 392.315 3.152 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[n-]1 ZINC000630430947 566729800 /nfs/dbraw/zinc/72/98/00/566729800.db2.gz RZZGOBHZLDWEAO-GXTWGEPZSA-N -1 3 381.523 3.121 20 0 GGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000630430947 566729807 /nfs/dbraw/zinc/72/98/07/566729807.db2.gz RZZGOBHZLDWEAO-GXTWGEPZSA-N -1 3 381.523 3.121 20 0 GGADHM COc1cccc(C[C@@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000426773870 566729832 /nfs/dbraw/zinc/72/98/32/566729832.db2.gz LQAKBUSDRPCVMA-MRXNPFEDSA-N -1 3 382.229 3.382 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(C)cs1)N1CCCC1 ZINC000450990594 566730292 /nfs/dbraw/zinc/73/02/92/566730292.db2.gz UNQKPJUNAJHOLC-MRXNPFEDSA-N -1 3 380.535 3.181 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1ccc(F)c(F)c1 ZINC000515755502 566731108 /nfs/dbraw/zinc/73/11/08/566731108.db2.gz OHHNNTLTJHEZJB-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426791910 566731383 /nfs/dbraw/zinc/73/13/83/566731383.db2.gz HBLIZWBUVWLSLM-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(F)(F)F ZINC000468804102 566731333 /nfs/dbraw/zinc/73/13/33/566731333.db2.gz CSLNBRXUZIUPTI-UWVGGRQHSA-N -1 3 389.823 3.230 20 0 GGADHM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426802554 566731466 /nfs/dbraw/zinc/73/14/66/566731466.db2.gz WIVZSFZWIWWHJF-QGZVFWFLSA-N -1 3 394.265 3.390 20 0 GGADHM COCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426793207 566731705 /nfs/dbraw/zinc/73/17/05/566731705.db2.gz MKBUINLWUFSHEB-QGZVFWFLSA-N -1 3 394.265 3.390 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(F)(F)F ZINC000468804327 566731747 /nfs/dbraw/zinc/73/17/47/566731747.db2.gz CSLNBRXUZIUPTI-VHSXEESVSA-N -1 3 389.823 3.230 20 0 GGADHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541537999 566731819 /nfs/dbraw/zinc/73/18/19/566731819.db2.gz JFAXIIQGCDGMIS-AWEZNQCLSA-N -1 3 399.285 3.053 20 0 GGADHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3sccc3Cl)c2)CC1 ZINC000450997245 566731888 /nfs/dbraw/zinc/73/18/88/566731888.db2.gz JJMIXQGWJQVOFS-UHFFFAOYSA-N -1 3 385.942 3.344 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCOCC1 ZINC000541536589 566732329 /nfs/dbraw/zinc/73/23/29/566732329.db2.gz CSDSXLDQUGQPIB-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cccc(Br)c1F ZINC000541536649 566731990 /nfs/dbraw/zinc/73/19/90/566731990.db2.gz GYROKPXTXWGKNX-UHFFFAOYSA-N -1 3 391.287 3.401 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(Cl)cc1 ZINC000677238995 566732188 /nfs/dbraw/zinc/73/21/88/566732188.db2.gz LKSWPHINTZYFCF-HNNXBMFYSA-N -1 3 397.287 3.190 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000677240480 566732414 /nfs/dbraw/zinc/73/24/14/566732414.db2.gz CYIKQCPOOFWKGI-CQSZACIVSA-N -1 3 394.802 3.420 20 0 GGADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000541538057 566732422 /nfs/dbraw/zinc/73/24/22/566732422.db2.gz MBNAHAWQUGWBSR-NEPJUHHUSA-N -1 3 394.306 3.460 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)NC2CCCCC2)c1Cl ZINC000515757321 566732431 /nfs/dbraw/zinc/73/24/31/566732431.db2.gz GVWYINYKEGNZTE-UHFFFAOYSA-N -1 3 393.336 3.419 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2noc3ccccc23)s1 ZINC000561722721 566732571 /nfs/dbraw/zinc/73/25/71/566732571.db2.gz QYKYVAIEODILFV-UHFFFAOYSA-N -1 3 387.280 3.439 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468815790 566732589 /nfs/dbraw/zinc/73/25/89/566732589.db2.gz DASCSOSZHFJAKR-ZBFHGGJFSA-N -1 3 391.530 3.194 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cccc(Br)c1Cl ZINC000630453616 566732691 /nfs/dbraw/zinc/73/26/91/566732691.db2.gz AUBLQILMJKUSDD-CYBMUJFWSA-N -1 3 375.694 3.131 20 0 GGADHM COc1ccccc1C[C@@H](CNCc1cc(C)c(Br)cn1)C(=O)[O-] ZINC000630452517 566733304 /nfs/dbraw/zinc/73/33/04/566733304.db2.gz YAUDFMLBFYSYEW-AWEZNQCLSA-N -1 3 393.281 3.194 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000677240479 566733324 /nfs/dbraw/zinc/73/33/24/566733324.db2.gz CYIKQCPOOFWKGI-AWEZNQCLSA-N -1 3 394.802 3.420 20 0 GGADHM CCOc1c(Br)cc(CN[C@@H](Cc2ccco2)C(=O)[O-])cc1OC ZINC000426817756 566733460 /nfs/dbraw/zinc/73/34/60/566733460.db2.gz UGLVDQIFPOPAGA-AWEZNQCLSA-N -1 3 398.253 3.235 20 0 GGADHM CC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426822379 566733562 /nfs/dbraw/zinc/73/35/62/566733562.db2.gz BRHJMEJDSBMMCR-MRXNPFEDSA-N -1 3 377.238 3.323 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1Br)NCc1ccnn1CC1CCC1 ZINC000630461590 566734276 /nfs/dbraw/zinc/73/42/76/566734276.db2.gz ZTRPOLOTRLWHAK-KRWDZBQOSA-N -1 3 392.297 3.231 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000677241501 566734218 /nfs/dbraw/zinc/73/42/18/566734218.db2.gz SHFRLZKVPZYODJ-OAHLLOKOSA-N -1 3 390.292 3.309 20 0 GGADHM CO[C@H](C[C@H](NCc1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000630461811 566734393 /nfs/dbraw/zinc/73/43/93/566734393.db2.gz GAMOKDNUMSDRMC-QWHCGFSZSA-N -1 3 376.678 3.460 20 0 GGADHM CO[C@@H](C[C@H](NCc1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000630461812 566734950 /nfs/dbraw/zinc/73/49/50/566734950.db2.gz GAMOKDNUMSDRMC-STQMWFEESA-N -1 3 376.678 3.460 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cnc(C)s2)c(OC2CCCC2)c1 ZINC000677241119 566734983 /nfs/dbraw/zinc/73/49/83/566734983.db2.gz SJSVMAZSQPCEBL-UHFFFAOYSA-N -1 3 382.507 3.260 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000677241031 566735157 /nfs/dbraw/zinc/73/51/57/566735157.db2.gz QZSOHHRMQDVWNA-YJBOKZPZSA-N -1 3 380.897 3.490 20 0 GGADHM Cc1ccc(C[C@@H](NCc2ncc(Br)cc2F)C(=O)[O-])cc1C ZINC000630461900 566735239 /nfs/dbraw/zinc/73/52/39/566735239.db2.gz KIVMQQLWSIVGIJ-OAHLLOKOSA-N -1 3 381.245 3.386 20 0 GGADHM CC(C)c1ncc([N-]S(=O)(=O)Cc2ccc(Br)c(F)c2)cn1 ZINC000451016307 566735897 /nfs/dbraw/zinc/73/58/97/566735897.db2.gz NPMPXMRWMAJNIJ-UHFFFAOYSA-N -1 3 388.262 3.444 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000654496201 566736196 /nfs/dbraw/zinc/73/61/96/566736196.db2.gz MJTKWFOGRXDBEV-CQSZACIVSA-N -1 3 383.286 3.398 20 0 GGADHM Cc1cc(Br)c(CNC[C@@]2(C(=O)[O-])CCCOC2)cc1Cl ZINC000630477329 566736808 /nfs/dbraw/zinc/73/68/08/566736808.db2.gz VQDGOOSPYLCOOL-HNNXBMFYSA-N -1 3 376.678 3.382 20 0 GGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000451022019 566737380 /nfs/dbraw/zinc/73/73/80/566737380.db2.gz GJLCPVUISGTNSP-WMZOPIPTSA-N -1 3 384.234 3.497 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000580966010 566738309 /nfs/dbraw/zinc/73/83/09/566738309.db2.gz VAEFEEABFIYUCF-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000580966010 566738313 /nfs/dbraw/zinc/73/83/13/566738313.db2.gz VAEFEEABFIYUCF-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC000580974237 566739091 /nfs/dbraw/zinc/73/90/91/566739091.db2.gz FUFDWWSCXYTJHS-MEDUHNTESA-N -1 3 382.279 3.391 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1F ZINC000488671530 566739103 /nfs/dbraw/zinc/73/91/03/566739103.db2.gz UGQZUEIJGLCCBL-CYBMUJFWSA-N -1 3 399.285 3.145 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)[C@H]1CCCO1 ZINC000677315260 566739585 /nfs/dbraw/zinc/73/95/85/566739585.db2.gz KEAKTFAGNUDSEN-CHWSQXEVSA-N -1 3 392.315 3.084 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCc2sccc2C1 ZINC000488669120 566739916 /nfs/dbraw/zinc/73/99/16/566739916.db2.gz NWPLGOYVLHJYIY-NSHDSACASA-N -1 3 388.917 3.266 20 0 GGADHM Cc1ccc(-c2cc(C(=O)NCc3ccc([O-])c(Br)c3)[nH]n2)o1 ZINC000488678946 566739958 /nfs/dbraw/zinc/73/99/58/566739958.db2.gz TWXNPWPVTXVYAB-UHFFFAOYSA-N -1 3 376.210 3.376 20 0 GGADHM CC(=O)N[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1cccs1 ZINC000488686661 566740718 /nfs/dbraw/zinc/74/07/18/566740718.db2.gz OEXFZBYWHPHJKE-CYBMUJFWSA-N -1 3 397.294 3.100 20 0 GGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000488694581 566741249 /nfs/dbraw/zinc/74/12/49/566741249.db2.gz BFXJJBKGKIVLNA-OAHLLOKOSA-N -1 3 385.844 3.452 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H](c1ccccc1)n1cccn1 ZINC000488681938 566741509 /nfs/dbraw/zinc/74/15/09/566741509.db2.gz WGROIVNDLTXFSK-KRWDZBQOSA-N -1 3 386.249 3.257 20 0 GGADHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468892994 566741739 /nfs/dbraw/zinc/74/17/39/566741739.db2.gz HESWOCZQGXNRNY-UHFFFAOYSA-N -1 3 389.901 3.139 20 0 GGADHM CN(C)CCn1nccc1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451046077 566742551 /nfs/dbraw/zinc/74/25/51/566742551.db2.gz OINHWIIAXNSEEL-UHFFFAOYSA-N -1 3 384.914 3.114 20 0 GGADHM COc1ccc(COCCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000488724488 566744274 /nfs/dbraw/zinc/74/42/74/566744274.db2.gz KMKHAMSROZGQIP-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCc1cc(Br)cc(F)c1F ZINC000516073196 566744353 /nfs/dbraw/zinc/74/43/53/566744353.db2.gz NNXOQSJDJQIXHJ-UHFFFAOYSA-N -1 3 394.241 3.353 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1F ZINC000541761630 566746156 /nfs/dbraw/zinc/74/61/56/566746156.db2.gz MSZQQFOCXCNXRV-LLVKDONJSA-N -1 3 382.215 3.284 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccccc1)C(C)C ZINC000561887286 566746622 /nfs/dbraw/zinc/74/66/22/566746622.db2.gz IJMWVIWJWWYBSX-ZFWWWQNUSA-N -1 3 381.416 3.187 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1cc(F)ccc1Cl ZINC000541760609 566746671 /nfs/dbraw/zinc/74/66/71/566746671.db2.gz MNEZYWJZCNIRJN-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cc1C ZINC000451063727 566746986 /nfs/dbraw/zinc/74/69/86/566746986.db2.gz QQMLTQHKDSCKIJ-GFCCVEGCSA-N -1 3 380.413 3.350 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)C(F)(F)F)n1 ZINC000451070252 566748235 /nfs/dbraw/zinc/74/82/35/566748235.db2.gz XLYSYMSTPNZVGX-CYBMUJFWSA-N -1 3 393.456 3.095 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc1Cl ZINC000451069301 566748304 /nfs/dbraw/zinc/74/83/04/566748304.db2.gz KZGIWXOJSNUIHL-MRVPVSSYSA-N -1 3 392.251 3.341 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2Br)cs1 ZINC000468963839 566748566 /nfs/dbraw/zinc/74/85/66/566748566.db2.gz NLVDFNXFBSFUHU-UHFFFAOYSA-N -1 3 390.280 3.406 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccccc2C1)c1ccc(F)cc1C(F)(F)F ZINC000488799873 566749475 /nfs/dbraw/zinc/74/94/75/566749475.db2.gz XJAHDGCMDIJOLZ-GFCCVEGCSA-N -1 3 375.343 3.127 20 0 GGADHM C[C@H]1CCCCN1CCNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000541799884 566749446 /nfs/dbraw/zinc/74/94/46/566749446.db2.gz SCUXYJCUDJUIAA-LBPRGKRZSA-N -1 3 379.917 3.276 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000427127439 566749644 /nfs/dbraw/zinc/74/96/44/566749644.db2.gz VPSDUPQWQKEYGA-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000427135362 566750043 /nfs/dbraw/zinc/75/00/43/566750043.db2.gz CEWADJYLSSMKPV-UHFFFAOYSA-N -1 3 384.219 3.495 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000427140966 566750287 /nfs/dbraw/zinc/75/02/87/566750287.db2.gz XAYMTXGVXSADDC-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM COc1cc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc(Br)c1[O-] ZINC000677517650 566750447 /nfs/dbraw/zinc/75/04/47/566750447.db2.gz DRWYVEIPWFBXKL-UHFFFAOYSA-N -1 3 397.250 3.110 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)C(F)F ZINC000451081401 566750458 /nfs/dbraw/zinc/75/04/58/566750458.db2.gz LXWOHHIPUOHFHW-JTQLQIEISA-N -1 3 399.257 3.038 20 0 GGADHM Cc1c2cccc(Br)c2oc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427133080 566750509 /nfs/dbraw/zinc/75/05/09/566750509.db2.gz KGRMOMSGFVZGQZ-UHFFFAOYSA-N -1 3 378.182 3.266 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2N(C)C)s1 ZINC000468979017 566750602 /nfs/dbraw/zinc/75/06/02/566750602.db2.gz JXDFCRGYSODXLH-UHFFFAOYSA-N -1 3 389.340 3.364 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(C)C)cc2)s1 ZINC000516174299 566750913 /nfs/dbraw/zinc/75/09/13/566750913.db2.gz AWCGUFLGTIDEAX-LBPRGKRZSA-N -1 3 383.491 3.361 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000427155851 566751378 /nfs/dbraw/zinc/75/13/78/566751378.db2.gz SCQQCZYIGRYKKP-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)c1cccc([N-]C(=O)c2ncoc2[C@H]2CCCO2)c1Br ZINC000427153315 566751790 /nfs/dbraw/zinc/75/17/90/566751790.db2.gz BNDFIRAVIWASJM-LLVKDONJSA-N -1 3 395.209 3.328 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](C)C1 ZINC000488853213 566751972 /nfs/dbraw/zinc/75/19/72/566751972.db2.gz LSQFWOWGRBOJFI-RYUDHWBXSA-N -1 3 382.423 3.243 20 0 GGADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1=O ZINC000581129616 566752412 /nfs/dbraw/zinc/75/24/12/566752412.db2.gz XTHCGZQDCWRFBB-LLVKDONJSA-N -1 3 398.834 3.037 20 0 GGADHM O=S(=O)([N-]CCCN1CCc2ccccc2C1)c1cc(F)ccc1Cl ZINC000488856692 566752284 /nfs/dbraw/zinc/75/22/84/566752284.db2.gz QQYHGDUBZCCFGI-UHFFFAOYSA-N -1 3 382.888 3.206 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000451083133 566752456 /nfs/dbraw/zinc/75/24/56/566752456.db2.gz HLFYTMGUAUCPII-QGZVFWFLSA-N -1 3 388.867 3.341 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](C)C1 ZINC000488852525 566752650 /nfs/dbraw/zinc/75/26/50/566752650.db2.gz KQOFWFUNFZQFGP-VXGBXAGGSA-N -1 3 382.423 3.243 20 0 GGADHM CC(C)N(CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(C)C ZINC000488851975 566752707 /nfs/dbraw/zinc/75/27/07/566752707.db2.gz BMHZOUHVPDCROM-UHFFFAOYSA-N -1 3 399.301 3.124 20 0 GGADHM CCC[C@@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000541826835 566752862 /nfs/dbraw/zinc/75/28/62/566752862.db2.gz FRIHEROXDMKVQL-GFCCVEGCSA-N -1 3 393.962 3.044 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000451083132 566752837 /nfs/dbraw/zinc/75/28/37/566752837.db2.gz HLFYTMGUAUCPII-KRWDZBQOSA-N -1 3 388.867 3.341 20 0 GGADHM NC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000541827328 566752978 /nfs/dbraw/zinc/75/29/78/566752978.db2.gz RNDJUNWKQZOZPS-CYBMUJFWSA-N -1 3 392.786 3.021 20 0 GGADHM Cn1nccc1S(=O)(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000541827022 566753049 /nfs/dbraw/zinc/75/30/49/566753049.db2.gz MBMAZKNPIFGOGK-LLVKDONJSA-N -1 3 387.305 3.021 20 0 GGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)[C@H](C)c1ccc(Br)cc1 ZINC000427165954 566753185 /nfs/dbraw/zinc/75/31/85/566753185.db2.gz YWFLWHDBGXHPOJ-SNVBAGLBSA-N -1 3 388.287 3.081 20 0 GGADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1Br ZINC000451091472 566754288 /nfs/dbraw/zinc/75/42/88/566754288.db2.gz VLWALQIAJRGRQL-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000451090624 566754313 /nfs/dbraw/zinc/75/43/13/566754313.db2.gz HJFJKRXBJNHACO-UHFFFAOYSA-N -1 3 380.857 3.130 20 0 GGADHM O=C(CCn1cc(Br)cn1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000677591745 566754838 /nfs/dbraw/zinc/75/48/38/566754838.db2.gz RFQCQRUBKQKXSZ-UHFFFAOYSA-N -1 3 378.148 3.399 20 0 GGADHM O=C(NCc1ccc[nH]1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000469032902 566754999 /nfs/dbraw/zinc/75/49/99/566754999.db2.gz UHFYCLDAPLOVOG-UHFFFAOYSA-N -1 3 381.523 3.007 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])C1(S(=O)(=O)c2ccccc2)CC1 ZINC000677590748 566755078 /nfs/dbraw/zinc/75/50/78/566755078.db2.gz DPODYALYCSXBBX-UHFFFAOYSA-N -1 3 396.262 3.100 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccsc1 ZINC000488889654 566755380 /nfs/dbraw/zinc/75/53/80/566755380.db2.gz YLJQIHXFRAJXLV-CYBMUJFWSA-N -1 3 396.431 3.487 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000488889816 566755715 /nfs/dbraw/zinc/75/57/15/566755715.db2.gz ZGCXBIKHMOBUIC-UHFFFAOYSA-N -1 3 377.359 3.374 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000488888541 566755850 /nfs/dbraw/zinc/75/58/50/566755850.db2.gz WEYJOSJOUBGPBL-CYBMUJFWSA-N -1 3 396.431 3.487 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1ccc(Cl)cc1Cl ZINC000562007889 566756292 /nfs/dbraw/zinc/75/62/92/566756292.db2.gz FQBIDHALKTVTHX-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccco1 ZINC000488912366 566756497 /nfs/dbraw/zinc/75/64/97/566756497.db2.gz BDTPWBIUPPVYFY-GFCCVEGCSA-N -1 3 380.363 3.019 20 0 GGADHM Cc1c(Br)cccc1CN1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000581195781 566756866 /nfs/dbraw/zinc/75/68/66/566756866.db2.gz HZXIJJVXXOHQOZ-WBVHZDCISA-N -1 3 382.298 3.459 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000469060533 566757421 /nfs/dbraw/zinc/75/74/21/566757421.db2.gz VLWOXVSHWQJBRE-AWEZNQCLSA-N -1 3 383.897 3.275 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000541870883 566757755 /nfs/dbraw/zinc/75/77/55/566757755.db2.gz LUDOXKQSWNMZNT-ZDUSSCGKSA-N -1 3 379.356 3.234 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)c1Cl ZINC000677661446 566757690 /nfs/dbraw/zinc/75/76/90/566757690.db2.gz JIJLCGMONQVTLO-NSHDSACASA-N -1 3 380.215 3.202 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCCCC1 ZINC000488935276 566758338 /nfs/dbraw/zinc/75/83/38/566758338.db2.gz BKTUHRCHVKVEMZ-UHFFFAOYSA-N -1 3 382.423 3.387 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1nc2ccccc2cc1Br ZINC000581218954 566758459 /nfs/dbraw/zinc/75/84/59/566758459.db2.gz SNEKWELTKOQRMR-AWEZNQCLSA-N -1 3 387.237 3.246 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000451103314 566758672 /nfs/dbraw/zinc/75/86/72/566758672.db2.gz BJFVVPMRAGOMOV-QWHCGFSZSA-N -1 3 399.818 3.131 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000427255063 566760667 /nfs/dbraw/zinc/76/06/67/566760667.db2.gz DHXPYEHNONFYHL-VXGBXAGGSA-N -1 3 379.345 3.187 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000427250543 566761332 /nfs/dbraw/zinc/76/13/32/566761332.db2.gz PIPFDIBXWOQBBR-INIZCTEOSA-N -1 3 388.555 3.085 20 0 GGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654894579 566762410 /nfs/dbraw/zinc/76/24/10/566762410.db2.gz QKKDGKRYOBXFIN-SNVBAGLBSA-N -1 3 376.254 3.183 20 0 GGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654894578 566762514 /nfs/dbraw/zinc/76/25/14/566762514.db2.gz QKKDGKRYOBXFIN-JTQLQIEISA-N -1 3 376.254 3.183 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000581264641 566762680 /nfs/dbraw/zinc/76/26/80/566762680.db2.gz RRHBRKJQSGPWPW-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000427282006 566762651 /nfs/dbraw/zinc/76/26/51/566762651.db2.gz CPZSMIPQRCFYCD-FENDNCTDSA-N -1 3 398.575 3.168 20 0 GGADHM O=C([N-]c1nc2ccccn2n1)c1n[nH]c(-c2ccccc2)c1Br ZINC000677804465 566763274 /nfs/dbraw/zinc/76/32/74/566763274.db2.gz XVBDOGQDPJDZSE-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000451131764 566764033 /nfs/dbraw/zinc/76/40/33/566764033.db2.gz SVOJBZOXUPARHF-LSDHHAIUSA-N -1 3 378.485 3.407 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000469133672 566764365 /nfs/dbraw/zinc/76/43/65/566764365.db2.gz UMQXKCPKPZZFRB-OLZOCXBDSA-N -1 3 393.933 3.236 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000427284493 566764359 /nfs/dbraw/zinc/76/43/59/566764359.db2.gz NBMCHEFYCGALRI-STQMWFEESA-N -1 3 379.345 3.187 20 0 GGADHM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]CCC(C)(F)F)cc2c1C ZINC000581291967 566765164 /nfs/dbraw/zinc/76/51/64/566765164.db2.gz APFNMYNAKFQVQT-UHFFFAOYSA-N -1 3 392.449 3.105 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)s1 ZINC000516515487 566766245 /nfs/dbraw/zinc/76/62/45/566766245.db2.gz VBWMSDKTHHCSJZ-NSHDSACASA-N -1 3 390.939 3.065 20 0 GGADHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469165037 566767850 /nfs/dbraw/zinc/76/78/50/566767850.db2.gz YETFTSYBAXPUBH-OAHLLOKOSA-N -1 3 375.918 3.348 20 0 GGADHM Cc1sc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1CS(C)(=O)=O ZINC000469175672 566769048 /nfs/dbraw/zinc/76/90/48/566769048.db2.gz DPJYREOXCDQVHW-NSHDSACASA-N -1 3 379.503 3.461 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(CCc2ccccc2)C1)c1sccc1Cl ZINC000451168970 566769514 /nfs/dbraw/zinc/76/95/14/566769514.db2.gz YNPXLRDKCQDUQO-HNNXBMFYSA-N -1 3 384.954 3.244 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc(-c2ccco2)cc1F ZINC000562195878 566770371 /nfs/dbraw/zinc/77/03/71/566770371.db2.gz HTJAJBWQLONZST-UHFFFAOYSA-N -1 3 380.422 3.064 20 0 GGADHM O=C(NCc1cc(F)c(F)cc1Br)c1c[n-]nc1-c1ccccn1 ZINC000562212204 566770761 /nfs/dbraw/zinc/77/07/61/566770761.db2.gz RSVLBFDDELAJCH-UHFFFAOYSA-N -1 3 393.191 3.442 20 0 GGADHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469194520 566770925 /nfs/dbraw/zinc/77/09/25/566770925.db2.gz JMUBBPZDAYHSSB-ZWKOTPCHSA-N -1 3 387.929 3.348 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](C)c2c(F)cccc2F)CCCCC1 ZINC000489112027 566771359 /nfs/dbraw/zinc/77/13/59/566771359.db2.gz NFLGRQZFDGMPKY-LBPRGKRZSA-N -1 3 375.437 3.069 20 0 GGADHM Cn1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c(-c2ccccc2)n1 ZINC000542050044 566772560 /nfs/dbraw/zinc/77/25/60/566772560.db2.gz DCESRWFCUXJLPL-UHFFFAOYSA-N -1 3 379.844 3.358 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nc(CC(F)(F)F)cs2)ccc1F ZINC000516598321 566772668 /nfs/dbraw/zinc/77/26/68/566772668.db2.gz WLOFKQOXRUQQJC-UHFFFAOYSA-N -1 3 397.375 3.011 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000427490954 566774613 /nfs/dbraw/zinc/77/46/13/566774613.db2.gz QNTFXMXJVROHER-UHFFFAOYSA-N -1 3 387.914 3.122 20 0 GGADHM CCCn1cc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)nn1 ZINC000678010525 566775534 /nfs/dbraw/zinc/77/55/34/566775534.db2.gz HKEHZHLQUJVTQB-UHFFFAOYSA-N -1 3 393.270 3.221 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Br)cc3)C2)nc1C ZINC000562274631 566776626 /nfs/dbraw/zinc/77/66/26/566776626.db2.gz ISKPRAQTCVLLGA-CTYIDZIISA-N -1 3 398.326 3.198 20 0 GGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542140351 566776771 /nfs/dbraw/zinc/77/67/71/566776771.db2.gz MYGOHVTXQPOWFR-JTQLQIEISA-N -1 3 384.723 3.180 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]Cc2c(F)cccc2Cl)CCCCC1 ZINC000489244635 566776920 /nfs/dbraw/zinc/77/69/20/566776920.db2.gz GHGKHSKOTABHDL-UHFFFAOYSA-N -1 3 377.865 3.022 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)C(C)C ZINC000542142369 566777150 /nfs/dbraw/zinc/77/71/50/566777150.db2.gz VPCKEAKVQGQNOY-GFCCVEGCSA-N -1 3 382.295 3.318 20 0 GGADHM Cc1ccc(Br)cc1-c1n[n-]c(=NCC2=CCN(C)CC2)s1 ZINC000469282201 566778135 /nfs/dbraw/zinc/77/81/35/566778135.db2.gz ZIJYZWLPZQMJCX-UHFFFAOYSA-N -1 3 379.327 3.372 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)s1 ZINC000678040378 566778606 /nfs/dbraw/zinc/77/86/06/566778606.db2.gz GHHYCSXOCZDPIT-UWVGGRQHSA-N -1 3 388.461 3.263 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CCCCS2)c(F)cc1F ZINC000542144673 566778927 /nfs/dbraw/zinc/77/89/27/566778927.db2.gz GVZIRDRMXBSBMS-CQSZACIVSA-N -1 3 378.466 3.341 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)C1 ZINC000469312667 566780515 /nfs/dbraw/zinc/78/05/15/566780515.db2.gz IWADKLDTGXSVLD-LSDHHAIUSA-N -1 3 391.530 3.194 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000655141334 566781074 /nfs/dbraw/zinc/78/10/74/566781074.db2.gz QYVMGHBFTUKULD-AWEZNQCLSA-N -1 3 389.253 3.194 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c(C)c1 ZINC000609730548 566781175 /nfs/dbraw/zinc/78/11/75/566781175.db2.gz RVKXHXITMIQDET-XMMPIXPASA-N -1 3 381.519 3.300 20 0 GGADHM Brc1ccc2c(c1)[C@H](c1nc(-c3ccc4n[n-]nc4c3)no1)CO2 ZINC000562322019 566781978 /nfs/dbraw/zinc/78/19/78/566781978.db2.gz QPQZOUVPCANTAH-LLVKDONJSA-N -1 3 384.193 3.295 20 0 GGADHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469329974 566782357 /nfs/dbraw/zinc/78/23/57/566782357.db2.gz PEFDSIJZFCUGRW-HNNXBMFYSA-N -1 3 375.918 3.204 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489345061 566782760 /nfs/dbraw/zinc/78/27/60/566782760.db2.gz BRZMRAJZSZPMFV-RYUDHWBXSA-N -1 3 378.947 3.107 20 0 GGADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000609767793 566782794 /nfs/dbraw/zinc/78/27/94/566782794.db2.gz IUYMAACYMSPCHC-NWDGAFQWSA-N -1 3 388.942 3.177 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)cc1 ZINC000609761458 566782857 /nfs/dbraw/zinc/78/28/57/566782857.db2.gz PESSBXYNDBQKIY-QHCPKHFHSA-N -1 3 385.894 3.222 20 0 GGADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000609767795 566782928 /nfs/dbraw/zinc/78/29/28/566782928.db2.gz IUYMAACYMSPCHC-VXGBXAGGSA-N -1 3 388.942 3.177 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(Cl)c(Br)c1 ZINC000562358083 566783115 /nfs/dbraw/zinc/78/31/15/566783115.db2.gz FCKWYHCAWDJCNP-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469360376 566784577 /nfs/dbraw/zinc/78/45/77/566784577.db2.gz IKFCBVXLYMGCSB-AAEUAGOBSA-N -1 3 381.947 3.174 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000469349059 566784632 /nfs/dbraw/zinc/78/46/32/566784632.db2.gz ZNTIDBRZNLMONU-GFCCVEGCSA-N -1 3 393.958 3.175 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)s1 ZINC000516826311 566785278 /nfs/dbraw/zinc/78/52/78/566785278.db2.gz XFPSKJDZHWRZPZ-UHFFFAOYSA-N -1 3 388.308 3.232 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)OC ZINC000469363342 566785861 /nfs/dbraw/zinc/78/58/61/566785861.db2.gz OFDPGIHVKFFKKM-QGZVFWFLSA-N -1 3 389.901 3.139 20 0 GGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC1 ZINC000609802688 566786147 /nfs/dbraw/zinc/78/61/47/566786147.db2.gz IUBBJZGHTCMOEP-UHFFFAOYSA-N -1 3 377.865 3.412 20 0 GGADHM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(Cl)cc1Cl ZINC000516855513 566786353 /nfs/dbraw/zinc/78/63/53/566786353.db2.gz YGWYDKDOWMJBHA-UHFFFAOYSA-N -1 3 385.272 3.382 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cc1OC ZINC000542240608 566786455 /nfs/dbraw/zinc/78/64/55/566786455.db2.gz DHVYZSBFLYIGCJ-OAHLLOKOSA-N -1 3 381.416 3.493 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000542244272 566786523 /nfs/dbraw/zinc/78/65/23/566786523.db2.gz VXOCZEWSAFZUFX-NSHDSACASA-N -1 3 385.532 3.252 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000542244268 566786647 /nfs/dbraw/zinc/78/66/47/566786647.db2.gz VXOCZEWSAFZUFX-LLVKDONJSA-N -1 3 385.532 3.252 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)c(Br)c1 ZINC000469393947 566786957 /nfs/dbraw/zinc/78/69/57/566786957.db2.gz UBGHMCBKZWUUCB-JTQLQIEISA-N -1 3 390.299 3.093 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1OC ZINC000542240605 566787344 /nfs/dbraw/zinc/78/73/44/566787344.db2.gz DHVYZSBFLYIGCJ-HNNXBMFYSA-N -1 3 381.416 3.493 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)n1 ZINC000562403847 566787932 /nfs/dbraw/zinc/78/79/32/566787932.db2.gz VFIDQATUTZEVFB-UHFFFAOYSA-N -1 3 378.519 3.438 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(Br)c(Cl)c1 ZINC000427668961 566788516 /nfs/dbraw/zinc/78/85/16/566788516.db2.gz UHRZAMJASCGTGY-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM O=C(CNC(=O)c1cccs1)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427679328 566788649 /nfs/dbraw/zinc/78/86/49/566788649.db2.gz PNRJUWYGJXSXQX-UHFFFAOYSA-N -1 3 396.222 3.127 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451292354 566789568 /nfs/dbraw/zinc/78/95/68/566789568.db2.gz SZOCWFHAZQNUGN-IYPVNNRCSA-N -1 3 383.510 3.337 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ncccn2)c(Cl)c1Cl ZINC000581589209 566791634 /nfs/dbraw/zinc/79/16/34/566791634.db2.gz BGXAGMGOBVVVPF-UHFFFAOYSA-N -1 3 376.265 3.006 20 0 GGADHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2F)cn1 ZINC000542318743 566792743 /nfs/dbraw/zinc/79/27/43/566792743.db2.gz ZMVNXIAHELVAFQ-JTQLQIEISA-N -1 3 390.278 3.405 20 0 GGADHM COc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(Br)c1OC ZINC000516933065 566793384 /nfs/dbraw/zinc/79/33/84/566793384.db2.gz ORPKQQQZBABJGL-NVBFEUDRSA-N -1 3 384.270 3.151 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000427739510 566793346 /nfs/dbraw/zinc/79/33/46/566793346.db2.gz GKDRNESNDJRLLU-UHFFFAOYSA-N -1 3 379.243 3.014 20 0 GGADHM [O-]c1cccc(CNCc2ccnc(N3CCSCC3)c2)c1Br ZINC000631240373 566793343 /nfs/dbraw/zinc/79/33/43/566793343.db2.gz BTFOOWAJFUOIBJ-UHFFFAOYSA-N -1 3 394.338 3.393 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1ccc(Cl)cc1Br ZINC000542312917 566793541 /nfs/dbraw/zinc/79/35/41/566793541.db2.gz GJQQTSGAXINTPV-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM CCCCN(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542320461 566793957 /nfs/dbraw/zinc/79/39/57/566793957.db2.gz RKOQAFFZTDPDGZ-UHFFFAOYSA-N -1 3 383.739 3.113 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC000451319258 566794093 /nfs/dbraw/zinc/79/40/93/566794093.db2.gz ZSAQWJHQQMOESQ-BPCQOVAHSA-N -1 3 387.464 3.393 20 0 GGADHM CN(C)C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])c2ccccc2O1 ZINC000678317585 566795605 /nfs/dbraw/zinc/79/56/05/566795605.db2.gz OOVXLVHDODZRLE-LBPRGKRZSA-N -1 3 391.265 3.124 20 0 GGADHM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)[nH]n1 ZINC000427763886 566795796 /nfs/dbraw/zinc/79/57/96/566795796.db2.gz VQIXAWXLUNQYIG-UHFFFAOYSA-N -1 3 381.351 3.447 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCOC3)C2)c1Cl ZINC000678358977 566796936 /nfs/dbraw/zinc/79/69/36/566796936.db2.gz QEJYLEWUQSIJJK-LRDDRELGSA-N -1 3 394.320 3.227 20 0 GGADHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000678357196 566797128 /nfs/dbraw/zinc/79/71/28/566797128.db2.gz IIQVCSMFYQJMCF-SECBINFHSA-N -1 3 391.237 3.470 20 0 GGADHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)c2cc(Br)ccc2n1 ZINC000542387815 566797574 /nfs/dbraw/zinc/79/75/74/566797574.db2.gz BUQKVODZPSRVJK-UHFFFAOYSA-N -1 3 387.237 3.040 20 0 GGADHM O=S(=O)(CCC(F)(F)F)[N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000516985884 566798503 /nfs/dbraw/zinc/79/85/03/566798503.db2.gz XAEMUXURMQOPHX-JTQLQIEISA-N -1 3 399.740 3.264 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccc(F)cc1F ZINC000610006242 566798916 /nfs/dbraw/zinc/79/89/16/566798916.db2.gz KPYTZNUUUMITHU-CYBMUJFWSA-N -1 3 375.418 3.243 20 0 GGADHM Cc1ccncc1[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000678420632 566799804 /nfs/dbraw/zinc/79/98/04/566799804.db2.gz AGZQRHXHAMQLIS-NSHDSACASA-N -1 3 386.249 3.485 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489633953 566799830 /nfs/dbraw/zinc/79/98/30/566799830.db2.gz CHEQNZWRPQUYKT-GHMZBOCLSA-N -1 3 385.379 3.208 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cccc(OC(F)(F)F)c1F ZINC000489630853 566799911 /nfs/dbraw/zinc/79/99/11/566799911.db2.gz MFKWNSLMUIIUOJ-LLVKDONJSA-N -1 3 385.379 3.352 20 0 GGADHM C[C@H]1C[C@@H](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000542429935 566800113 /nfs/dbraw/zinc/80/01/13/566800113.db2.gz ZHWJVXOOBKFTNZ-RYUDHWBXSA-N -1 3 393.281 3.226 20 0 GGADHM Cc1nc(C)c(CC(=O)N(C)Cc2cc(Br)ccc2Cl)c(=O)[n-]1 ZINC000427802399 566800367 /nfs/dbraw/zinc/80/03/67/566800367.db2.gz KQLXXDMOLFPYOT-UHFFFAOYSA-N -1 3 398.688 3.416 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000678448990 566801140 /nfs/dbraw/zinc/80/11/40/566801140.db2.gz GMGNLSYRDDTSDA-BLLLJJGKSA-N -1 3 393.281 3.119 20 0 GGADHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000678448992 566801179 /nfs/dbraw/zinc/80/11/79/566801179.db2.gz GMGNLSYRDDTSDA-MLGOLLRUSA-N -1 3 393.281 3.119 20 0 GGADHM O=C(CSCc1ccc(Br)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000562547252 566801362 /nfs/dbraw/zinc/80/13/62/566801362.db2.gz JTPURKPNQWCDGP-CQSZACIVSA-N -1 3 396.310 3.318 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3C[C@H](C)n4ccnc43)s2)cs1 ZINC000562551279 566801490 /nfs/dbraw/zinc/80/14/90/566801490.db2.gz RERNBSMXVCIWJG-ONGXEEELSA-N -1 3 380.520 3.361 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000678494163 566802586 /nfs/dbraw/zinc/80/25/86/566802586.db2.gz PFVQFUJWCMOXIO-UHFFFAOYSA-N -1 3 382.345 3.181 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000678492832 566802740 /nfs/dbraw/zinc/80/27/40/566802740.db2.gz CHUDVPDPSGIWPA-UHFFFAOYSA-N -1 3 382.309 3.364 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1ccc(Cl)cc1 ZINC000427869381 566802902 /nfs/dbraw/zinc/80/29/02/566802902.db2.gz WHJZAZQWSTXSJA-SUMWQHHRSA-N -1 3 381.881 3.277 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C=C[C@H]4CCOC4)n3)[n-]2)c1 ZINC000562563109 566803057 /nfs/dbraw/zinc/80/30/57/566803057.db2.gz IUHNBQKHGRUQKK-LWTINBJPSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C=C[C@H]4CCOC4)n3)n2)c1 ZINC000562563109 566803062 /nfs/dbraw/zinc/80/30/62/566803062.db2.gz IUHNBQKHGRUQKK-LWTINBJPSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C=C[C@H]4CCOC4)n3)n[n-]2)c1 ZINC000562563109 566803065 /nfs/dbraw/zinc/80/30/65/566803065.db2.gz IUHNBQKHGRUQKK-LWTINBJPSA-N -1 3 388.225 3.334 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1ccc(Cl)cc1 ZINC000427869377 566803089 /nfs/dbraw/zinc/80/30/89/566803089.db2.gz WHJZAZQWSTXSJA-DYVFJYSZSA-N -1 3 381.881 3.277 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000542466163 566803397 /nfs/dbraw/zinc/80/33/97/566803397.db2.gz HRMUFKVQUWCJGO-DOFRTFSJSA-N -1 3 382.707 3.337 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000517052580 566803438 /nfs/dbraw/zinc/80/34/38/566803438.db2.gz FJJGXPWCKULZOD-RFAUZJTJSA-N -1 3 386.242 3.389 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000542466167 566803698 /nfs/dbraw/zinc/80/36/98/566803698.db2.gz HRMUFKVQUWCJGO-RKDXNWHRSA-N -1 3 382.707 3.337 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(C2CC2)cc1 ZINC000678560562 566804394 /nfs/dbraw/zinc/80/43/94/566804394.db2.gz AYPUYLNFCUILBA-UHFFFAOYSA-N -1 3 399.925 3.379 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000517072447 566804888 /nfs/dbraw/zinc/80/48/88/566804888.db2.gz HADGVJGYGCOVSI-GUTXKFCHSA-N -1 3 376.254 3.188 20 0 GGADHM COCC[C@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469637793 566805164 /nfs/dbraw/zinc/80/51/64/566805164.db2.gz QBWBOXYPRQBEPV-QMMMGPOBSA-N -1 3 387.661 3.099 20 0 GGADHM COCC[C@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469637793 566805170 /nfs/dbraw/zinc/80/51/70/566805170.db2.gz QBWBOXYPRQBEPV-QMMMGPOBSA-N -1 3 387.661 3.099 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)N2CCc3ccccc32)c1 ZINC000489710481 566805220 /nfs/dbraw/zinc/80/52/20/566805220.db2.gz DCXCCJQILOCWDM-CYBMUJFWSA-N -1 3 380.897 3.078 20 0 GGADHM O=S(=O)([N-][C@H]1CCSC1)c1cc(C(F)(F)F)ccc1Br ZINC000542485279 566805360 /nfs/dbraw/zinc/80/53/60/566805360.db2.gz LTKDNKAZWIJLKQ-QMMMGPOBSA-N -1 3 390.246 3.252 20 0 GGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000489721182 566805571 /nfs/dbraw/zinc/80/55/71/566805571.db2.gz VSRDHQIFFSDOGS-GFCCVEGCSA-N -1 3 381.828 3.373 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1ccc(Br)s1 ZINC000489734383 566806315 /nfs/dbraw/zinc/80/63/15/566806315.db2.gz AFWMBFYAYJMTNA-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM Cn1[n-]c(=NC(=O)CCOc2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000427962354 566806784 /nfs/dbraw/zinc/80/67/84/566806784.db2.gz UBAIWZUNXGYQIX-UHFFFAOYSA-N -1 3 380.178 3.158 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccco1 ZINC000489738346 566806859 /nfs/dbraw/zinc/80/68/59/566806859.db2.gz IZHKXDTUZXGRAX-OAHLLOKOSA-N -1 3 386.901 3.303 20 0 GGADHM CN(C[C@@H]1CC=CCC1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000581781373 566806852 /nfs/dbraw/zinc/80/68/52/566806852.db2.gz GBQMMLUWPZRRAK-GFCCVEGCSA-N -1 3 391.320 3.086 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc4c(c3)C(=O)CC4)CCCC2)n1 ZINC000655506577 566806938 /nfs/dbraw/zinc/80/69/38/566806938.db2.gz CWKORUYMVDRSKI-UHFFFAOYSA-N -1 3 376.503 3.328 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1OC)c1ccc(F)c(F)c1 ZINC000678622127 566808945 /nfs/dbraw/zinc/80/89/45/566808945.db2.gz YTENFJDYVLDJFS-AWEZNQCLSA-N -1 3 391.823 3.293 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000451387774 566809271 /nfs/dbraw/zinc/80/92/71/566809271.db2.gz GDASGHROASZOBY-UHFFFAOYSA-N -1 3 381.454 3.157 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000678621809 566809413 /nfs/dbraw/zinc/80/94/13/566809413.db2.gz SCMICJGZITUVIX-HNNXBMFYSA-N -1 3 379.787 3.423 20 0 GGADHM CCOC(=O)CN(C(=O)Cc1ccc(Br)cc1[O-])C1CCCC1 ZINC000517190146 566809623 /nfs/dbraw/zinc/80/96/23/566809623.db2.gz LNAJPISHGAUFPU-UHFFFAOYSA-N -1 3 384.270 3.032 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1c(C)cccc1C ZINC000451398482 566811019 /nfs/dbraw/zinc/81/10/19/566811019.db2.gz JNCOUCHNFGHUKC-CHWSQXEVSA-N -1 3 381.416 3.168 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1c(C)cccc1C ZINC000451398485 566811410 /nfs/dbraw/zinc/81/14/10/566811410.db2.gz JNCOUCHNFGHUKC-STQMWFEESA-N -1 3 381.416 3.168 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC2(CCC2)O1 ZINC000581886703 566811740 /nfs/dbraw/zinc/81/17/40/566811740.db2.gz PAUQLHHVQIZWJF-NSHDSACASA-N -1 3 391.265 3.074 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2noc3c2CCCC3)c(Br)cc1F ZINC000610182121 566812097 /nfs/dbraw/zinc/81/20/97/566812097.db2.gz JIAFIGGLTCALCX-UHFFFAOYSA-N -1 3 397.200 3.494 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489840964 566812871 /nfs/dbraw/zinc/81/28/71/566812871.db2.gz WFVQPEQJLLRKFC-QMMMGPOBSA-N -1 3 377.306 3.438 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)c1nnc2n1CCC2 ZINC000562713828 566814813 /nfs/dbraw/zinc/81/48/13/566814813.db2.gz YWUZEXOEXWVBRE-SECBINFHSA-N -1 3 382.898 3.132 20 0 GGADHM CCCNC(=O)C1(NCc2ccc(OC)c([O-])c2Br)CCCCC1 ZINC000428083977 566815651 /nfs/dbraw/zinc/81/56/51/566815651.db2.gz MBQKHYZKJFXEIH-UHFFFAOYSA-N -1 3 399.329 3.482 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489893333 566815977 /nfs/dbraw/zinc/81/59/77/566815977.db2.gz TWPFIDXNLJHSNF-UHFFFAOYSA-N -1 3 387.395 3.455 20 0 GGADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000610223757 566816786 /nfs/dbraw/zinc/81/67/86/566816786.db2.gz JCEVPPBMZDNAJS-UHFFFAOYSA-N -1 3 381.479 3.400 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1cc(Br)cs1 ZINC000610232516 566817519 /nfs/dbraw/zinc/81/75/19/566817519.db2.gz ZZERIAZZZOGCTM-UHFFFAOYSA-N -1 3 386.271 3.290 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1cc(Br)cs1 ZINC000610232516 566817528 /nfs/dbraw/zinc/81/75/28/566817528.db2.gz ZZERIAZZZOGCTM-UHFFFAOYSA-N -1 3 386.271 3.290 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000451433130 566817884 /nfs/dbraw/zinc/81/78/84/566817884.db2.gz MMWDMWNQUTZVPK-RWMBFGLXSA-N -1 3 393.418 3.215 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000451433117 566818011 /nfs/dbraw/zinc/81/80/11/566818011.db2.gz MMWDMWNQUTZVPK-AGIUHOORSA-N -1 3 393.418 3.215 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(Cl)cc2)c1F ZINC000655586390 566818188 /nfs/dbraw/zinc/81/81/88/566818188.db2.gz SNFVPPZPXBJZGU-CQSZACIVSA-N -1 3 386.876 3.069 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(C(F)F)cc1)c1ccc(F)cc1Cl ZINC000562743430 566818435 /nfs/dbraw/zinc/81/84/35/566818435.db2.gz FPZCHFMVTZVYJR-UHFFFAOYSA-N -1 3 392.830 3.485 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000542691823 566818489 /nfs/dbraw/zinc/81/84/89/566818489.db2.gz VIKWAKKCYAQDDK-LBPRGKRZSA-N -1 3 394.251 3.153 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)c(F)c(F)c32)c1F ZINC000655603180 566819546 /nfs/dbraw/zinc/81/95/46/566819546.db2.gz FWQYWQLKEQGDSM-SNVBAGLBSA-N -1 3 375.343 3.217 20 0 GGADHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccccc1Cn1cncn1 ZINC000542712089 566820728 /nfs/dbraw/zinc/82/07/28/566820728.db2.gz PRBRLUJLMCJRPL-UHFFFAOYSA-N -1 3 383.260 3.434 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1F ZINC000517344992 566821041 /nfs/dbraw/zinc/82/10/41/566821041.db2.gz RKPVAFQDFJRPJE-MNOVXSKESA-N -1 3 382.379 3.041 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c1F ZINC000655606764 566821377 /nfs/dbraw/zinc/82/13/77/566821377.db2.gz VUJZTFMDDLMAEJ-INIZCTEOSA-N -1 3 385.482 3.078 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2C ZINC000562781077 566821793 /nfs/dbraw/zinc/82/17/93/566821793.db2.gz MKPAPIGHGOYUNJ-HNNXBMFYSA-N -1 3 379.865 3.401 20 0 GGADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489996777 566821988 /nfs/dbraw/zinc/82/19/88/566821988.db2.gz XAIBKPZUZPKYCJ-ZDUSSCGKSA-N -1 3 375.437 3.357 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)C[C@H]3CCC(F)(F)C3)CCCCCC2)no1 ZINC000631731736 566822258 /nfs/dbraw/zinc/82/22/58/566822258.db2.gz BSRXIVAHHGVDCZ-ZDUSSCGKSA-N -1 3 377.457 3.282 20 0 GGADHM CN(C)CCOc1ccccc1CNC(=O)c1cccc(Br)c1[O-] ZINC000517370222 566822745 /nfs/dbraw/zinc/82/27/45/566822745.db2.gz BSHHKOHUQZLNLE-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)cc1F ZINC000490003791 566823051 /nfs/dbraw/zinc/82/30/51/566823051.db2.gz NQSHMVTWOXJBDS-LLVKDONJSA-N -1 3 379.400 3.106 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000490005015 566823136 /nfs/dbraw/zinc/82/31/36/566823136.db2.gz JXPCUCZMPKVLLP-NSHDSACASA-N -1 3 379.400 3.106 20 0 GGADHM COc1ccc(Br)cc1C[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000562791670 566823122 /nfs/dbraw/zinc/82/31/22/566823122.db2.gz GELXZCDWPSUMKL-QHCPKHFHSA-N -1 3 397.294 3.280 20 0 GGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(Br)ccc1-n1cncn1 ZINC000582034984 566825088 /nfs/dbraw/zinc/82/50/88/566825088.db2.gz BGQCLPNXSATALO-UHFFFAOYSA-N -1 3 387.303 3.208 20 0 GGADHM Cc1cnc(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)c(C)c1 ZINC000655635328 566825236 /nfs/dbraw/zinc/82/52/36/566825236.db2.gz VHPASMWSTKLFSI-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000451478105 566825715 /nfs/dbraw/zinc/82/57/15/566825715.db2.gz YFWHUJCNVOVMLP-LLVKDONJSA-N -1 3 394.440 3.359 20 0 GGADHM Cc1cnc(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1 ZINC000655635009 566826129 /nfs/dbraw/zinc/82/61/29/566826129.db2.gz FKFMKOILVHIBRT-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000451485286 566826496 /nfs/dbraw/zinc/82/64/96/566826496.db2.gz YIVKHQMEASHGBN-QMMMGPOBSA-N -1 3 375.334 3.488 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)c(Cl)c1Cl ZINC000655651408 566826613 /nfs/dbraw/zinc/82/66/13/566826613.db2.gz ODKUBRLXAYLGTM-SNVBAGLBSA-N -1 3 375.277 3.307 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)cc1Cl ZINC000655650499 566826686 /nfs/dbraw/zinc/82/66/86/566826686.db2.gz 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/nfs/dbraw/zinc/87/49/40/566874940.db2.gz IYGXCZCJWWOPKW-SECBINFHSA-N -1 3 390.212 3.316 20 0 GGADHM CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000490695547 566875441 /nfs/dbraw/zinc/87/54/41/566875441.db2.gz VOCFXGHUKNQVNU-ZDUSSCGKSA-N -1 3 375.918 3.470 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2SC)cc1OC ZINC000518293509 566875672 /nfs/dbraw/zinc/87/56/72/566875672.db2.gz HVCSYZOJZOOPGF-UHFFFAOYSA-N -1 3 380.491 3.431 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000490683647 566875826 /nfs/dbraw/zinc/87/58/26/566875826.db2.gz JUYPHANCJIELNI-LLVKDONJSA-N -1 3 377.238 3.220 20 0 GGADHM CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000490695544 566876018 /nfs/dbraw/zinc/87/60/18/566876018.db2.gz VOCFXGHUKNQVNU-CYBMUJFWSA-N -1 3 375.918 3.470 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000490683648 566876285 /nfs/dbraw/zinc/87/62/85/566876285.db2.gz JUYPHANCJIELNI-NSHDSACASA-N -1 3 377.238 3.220 20 0 GGADHM CCn1c(SCC(=O)Nc2nc(C)ccc2[O-])nnc1-c1cccs1 ZINC000563343751 566876708 /nfs/dbraw/zinc/87/67/08/566876708.db2.gz CIXHRFGMIMPWMU-UHFFFAOYSA-N -1 3 375.479 3.166 20 0 GGADHM Cc1ccc([O-])c(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)n1 ZINC000543392670 566876871 /nfs/dbraw/zinc/87/68/71/566876871.db2.gz UCIAODCOMVASLB-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM C[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)N1CCCCC1 ZINC000543394245 566876963 /nfs/dbraw/zinc/87/69/63/566876963.db2.gz IQQHCMJVMZIEDD-GFCCVEGCSA-N -1 3 393.322 3.131 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCCOC1 ZINC000543393919 566877032 /nfs/dbraw/zinc/87/70/32/566877032.db2.gz AXZGLRHWCMCMTH-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)s1 ZINC000518314895 566877417 /nfs/dbraw/zinc/87/74/17/566877417.db2.gz WYPKAWFQYUZVLB-LBPRGKRZSA-N -1 3 379.555 3.323 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCO[C@@H]1C1CC1 ZINC000543394579 566877435 /nfs/dbraw/zinc/87/74/35/566877435.db2.gz WGESLAGRTKMEDK-CABCVRRESA-N -1 3 392.290 3.072 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000543395205 566877483 /nfs/dbraw/zinc/87/74/83/566877483.db2.gz SNYLRZHVYWOEGR-MFKMUULPSA-N -1 3 394.306 3.460 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)s1 ZINC000518314894 566877811 /nfs/dbraw/zinc/87/78/11/566877811.db2.gz WYPKAWFQYUZVLB-GFCCVEGCSA-N -1 3 379.555 3.323 20 0 GGADHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000451761263 566877897 /nfs/dbraw/zinc/87/78/97/566877897.db2.gz HGAKDFFDWUMZEB-LBPRGKRZSA-N -1 3 375.918 3.347 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCC1 ZINC000543398179 566878461 /nfs/dbraw/zinc/87/84/61/566878461.db2.gz NOJMDDKYJFJZSF-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000563358975 566878443 /nfs/dbraw/zinc/87/84/43/566878443.db2.gz GFCWGNLEXMVRPK-NSHDSACASA-N -1 3 380.242 3.166 20 0 GGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000563358975 566878447 /nfs/dbraw/zinc/87/84/47/566878447.db2.gz GFCWGNLEXMVRPK-NSHDSACASA-N -1 3 380.242 3.166 20 0 GGADHM CN(C)C(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000451774478 566878858 /nfs/dbraw/zinc/87/88/58/566878858.db2.gz ONQCRINGUHBEGO-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543414847 566879116 /nfs/dbraw/zinc/87/91/16/566879116.db2.gz AZMVATDDIQJFFR-LLVKDONJSA-N -1 3 395.750 3.255 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NCC2CCN(Cc3cccs3)CC2)s1 ZINC000490782332 566879697 /nfs/dbraw/zinc/87/96/97/566879697.db2.gz JCCDGWBVYLASHP-UHFFFAOYSA-N -1 3 397.595 3.167 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)ccc1Cl ZINC000656184609 566880834 /nfs/dbraw/zinc/88/08/34/566880834.db2.gz XABBIBLEOCZAKU-UHFFFAOYSA-N -1 3 380.897 3.281 20 0 GGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)cc1Cl ZINC000656182775 566880894 /nfs/dbraw/zinc/88/08/94/566880894.db2.gz OWSCVERDZLMOKE-UHFFFAOYSA-N -1 3 378.881 3.331 20 0 GGADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000632394125 566881700 /nfs/dbraw/zinc/88/17/00/566881700.db2.gz JCNJRINWLKEOLB-VIFPVBQESA-N -1 3 381.807 3.300 20 0 GGADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)[nH]n1 ZINC000632395535 566881722 /nfs/dbraw/zinc/88/17/22/566881722.db2.gz PEGOSMQMGJAGOP-VIFPVBQESA-N -1 3 392.706 3.044 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000451787354 566882014 /nfs/dbraw/zinc/88/20/14/566882014.db2.gz MQLLTVMWMWIMDK-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C ZINC000611017292 566883835 /nfs/dbraw/zinc/88/38/35/566883835.db2.gz FWSAQBKDJKORDK-MRXNPFEDSA-N -1 3 379.865 3.401 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CC1(N(C)Cc2ccccc2)CCC1 ZINC000451793869 566883912 /nfs/dbraw/zinc/88/39/12/566883912.db2.gz FJGLIKUZXNZGKN-UHFFFAOYSA-N -1 3 380.535 3.090 20 0 GGADHM C[C@H](CCC1CC1)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000470573086 566884259 /nfs/dbraw/zinc/88/42/59/566884259.db2.gz GOSCCXOTSYNIBK-LLVKDONJSA-N -1 3 393.336 3.357 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCOc2ccccc2C(C)C)c1 ZINC000518447836 566884148 /nfs/dbraw/zinc/88/41/48/566884148.db2.gz VETYSEHANIAZJZ-UHFFFAOYSA-N -1 3 383.491 3.015 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2C)o1 ZINC000632441168 566884984 /nfs/dbraw/zinc/88/49/84/566884984.db2.gz UISRCBDPWNZAEP-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000611039005 566885311 /nfs/dbraw/zinc/88/53/11/566885311.db2.gz MMJHLNVOUUYGNV-UHFFFAOYSA-N -1 3 389.901 3.141 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1OC(F)F ZINC000490926879 566885346 /nfs/dbraw/zinc/88/53/46/566885346.db2.gz MSJNZEPPQNGSCI-BDAKNGLRSA-N -1 3 376.190 3.492 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1OC(F)F ZINC000490926885 566885417 /nfs/dbraw/zinc/88/54/17/566885417.db2.gz MSJNZEPPQNGSCI-RKDXNWHRSA-N -1 3 376.190 3.492 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(Br)ccc2Cl)cc1OC(F)F ZINC000490919918 566885754 /nfs/dbraw/zinc/88/57/54/566885754.db2.gz QFDYDZFHMKNVOS-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cccc(Br)c2Cl)cc1OC(F)F ZINC000490944187 566886588 /nfs/dbraw/zinc/88/65/88/566886588.db2.gz PQLIUINHVHGWPX-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)n1 ZINC000632465154 566886865 /nfs/dbraw/zinc/88/68/65/566886865.db2.gz IZZFTKNASFQNLL-SECBINFHSA-N -1 3 387.914 3.357 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccnc1N(C)C ZINC000470609862 566886896 /nfs/dbraw/zinc/88/68/96/566886896.db2.gz JFVPUASJVHHAGS-UHFFFAOYSA-N -1 3 379.869 3.334 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(=O)Nc1ccccc1 ZINC000470609923 566887015 /nfs/dbraw/zinc/88/70/15/566887015.db2.gz CUKUPSLPOGZHLW-UHFFFAOYSA-N -1 3 378.837 3.312 20 0 GGADHM CC[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1c(C)noc1C ZINC000470602625 566887302 /nfs/dbraw/zinc/88/73/02/566887302.db2.gz PWGXVWLIZJTOSG-CYBMUJFWSA-N -1 3 387.299 3.354 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC000470603730 566887365 /nfs/dbraw/zinc/88/73/65/566887365.db2.gz YOHYHXASQAEESX-UHFFFAOYSA-N -1 3 384.885 3.122 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451819617 566887471 /nfs/dbraw/zinc/88/74/71/566887471.db2.gz BBCUEDIECWYTPP-VXGBXAGGSA-N -1 3 397.871 3.467 20 0 GGADHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470605175 566887647 /nfs/dbraw/zinc/88/76/47/566887647.db2.gz FBWGLNPUTWNQKP-CYBMUJFWSA-N -1 3 380.857 3.108 20 0 GGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1N1CCCS1(=O)=O ZINC000563484697 566887949 /nfs/dbraw/zinc/88/79/49/566887949.db2.gz GRUHRTHMKXTICD-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1OC(F)F ZINC000490956937 566887993 /nfs/dbraw/zinc/88/79/93/566887993.db2.gz UZAYARQWAZOKGF-GHMZBOCLSA-N -1 3 376.190 3.492 20 0 GGADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1csc(NC2CC2)n1 ZINC000428886815 566887983 /nfs/dbraw/zinc/88/79/83/566887983.db2.gz LCMBDHVOYFDIEE-UHFFFAOYSA-N -1 3 391.909 3.487 20 0 GGADHM CN(CCc1cccc(Br)c1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000428910588 566888159 /nfs/dbraw/zinc/88/81/59/566888159.db2.gz ABCNEXNZGIPHLL-UHFFFAOYSA-N -1 3 377.217 3.174 20 0 GGADHM CN(CCc1cccc(Br)c1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000428910588 566888165 /nfs/dbraw/zinc/88/81/65/566888165.db2.gz ABCNEXNZGIPHLL-UHFFFAOYSA-N -1 3 377.217 3.174 20 0 GGADHM CN(CCc1cccc(Br)c1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000428910588 566888167 /nfs/dbraw/zinc/88/81/67/566888167.db2.gz ABCNEXNZGIPHLL-UHFFFAOYSA-N -1 3 377.217 3.174 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000490967942 566888184 /nfs/dbraw/zinc/88/81/84/566888184.db2.gz LAWGBWGIBFWABS-BDAKNGLRSA-N -1 3 376.190 3.492 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000632465822 566888478 /nfs/dbraw/zinc/88/84/78/566888478.db2.gz KMWFESIYEIBVHZ-MRVPVSSYSA-N -1 3 380.413 3.486 20 0 GGADHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1sccc1Br ZINC000470614639 566888548 /nfs/dbraw/zinc/88/85/48/566888548.db2.gz VWQVFGWZJGARLN-GRYCIOLGSA-N -1 3 395.388 3.155 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000490967948 566888571 /nfs/dbraw/zinc/88/85/71/566888571.db2.gz LAWGBWGIBFWABS-RKDXNWHRSA-N -1 3 376.190 3.492 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451822378 566888599 /nfs/dbraw/zinc/88/85/99/566888599.db2.gz KCJZZHRUVASPLN-JTQLQIEISA-N -1 3 396.843 3.021 20 0 GGADHM C[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1nc(C(F)(F)F)no1 ZINC000632479691 566888621 /nfs/dbraw/zinc/88/86/21/566888621.db2.gz JJCLQFAPQWOQBC-KKMMWDRVSA-N -1 3 395.325 3.190 20 0 GGADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)CC(C)C ZINC000470618028 566888675 /nfs/dbraw/zinc/88/86/75/566888675.db2.gz JDCXKDSISDKUCZ-CQSZACIVSA-N -1 3 382.309 3.043 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)n1 ZINC000632465180 566888792 /nfs/dbraw/zinc/88/87/92/566888792.db2.gz JTSCPCIRDGSTKQ-ZJUUUORDSA-N -1 3 387.552 3.004 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494307 566889001 /nfs/dbraw/zinc/88/90/01/566889001.db2.gz RNWDYHXSIJUMTH-YUMQZZPRSA-N -1 3 393.332 3.182 20 0 GGADHM CCCC1(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Br)CC1 ZINC000470612740 566889025 /nfs/dbraw/zinc/88/90/25/566889025.db2.gz SPAGYDZVICVNMK-UHFFFAOYSA-N -1 3 390.299 3.094 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)C(=O)N1CCCCC1 ZINC000470612816 566889201 /nfs/dbraw/zinc/88/92/01/566889201.db2.gz NYOADRSFUSPDFP-GFCCVEGCSA-N -1 3 384.885 3.074 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCC[C@@H](F)C1 ZINC000518538806 566889626 /nfs/dbraw/zinc/88/96/26/566889626.db2.gz QYNAISNHVKQMGO-MNOVXSKESA-N -1 3 397.299 3.059 20 0 GGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1F ZINC000563488373 566889703 /nfs/dbraw/zinc/88/97/03/566889703.db2.gz SWGWPCZIYKVGSI-UHFFFAOYSA-N -1 3 377.315 3.490 20 0 GGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494305 566889739 /nfs/dbraw/zinc/88/97/39/566889739.db2.gz RNWDYHXSIJUMTH-SFYZADRCSA-N -1 3 393.332 3.182 20 0 GGADHM C[C@@H](C(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)s1 ZINC000491004897 566889937 /nfs/dbraw/zinc/88/99/37/566889937.db2.gz UFXMCOUWNVUVHM-ZCFIWIBFSA-N -1 3 380.214 3.010 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nc(C(F)F)no2)c1Cl ZINC000632481032 566890144 /nfs/dbraw/zinc/89/01/44/566890144.db2.gz CJWWWHUYDFXLOD-UHFFFAOYSA-N -1 3 386.207 3.409 20 0 GGADHM COc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c(C)nn1C ZINC000470633509 566890385 /nfs/dbraw/zinc/89/03/85/566890385.db2.gz DIHGMRLTSZTMMS-UHFFFAOYSA-N -1 3 381.820 3.300 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)no2)sc1Cl ZINC000632480853 566890533 /nfs/dbraw/zinc/89/05/33/566890533.db2.gz ZUTOJABWUVMPEC-RXMQYKEDSA-N -1 3 375.781 3.151 20 0 GGADHM CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000582762566 566890784 /nfs/dbraw/zinc/89/07/84/566890784.db2.gz WISSKKQOWHSYPO-UHFFFAOYSA-N -1 3 384.851 3.369 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C2CCC2)c(Br)c1 ZINC000611117441 566891523 /nfs/dbraw/zinc/89/15/23/566891523.db2.gz AHBYZHFJHMCVBV-JTQLQIEISA-N -1 3 390.299 3.093 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000518575755 566892077 /nfs/dbraw/zinc/89/20/77/566892077.db2.gz ONWJNGMRNZNMLS-SECBINFHSA-N -1 3 388.536 3.328 20 0 GGADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)c1ccccc1C(F)(F)F ZINC000680106928 566893245 /nfs/dbraw/zinc/89/32/45/566893245.db2.gz DGRHGYZXGDTWLR-NSHDSACASA-N -1 3 379.306 3.396 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1ccc(Br)s1 ZINC000680107861 566893282 /nfs/dbraw/zinc/89/32/82/566893282.db2.gz NYYJIZZSYBFCMS-MRVPVSSYSA-N -1 3 396.234 3.201 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000680106168 566893491 /nfs/dbraw/zinc/89/34/91/566893491.db2.gz AKLRMLBQDYZRKN-GFCCVEGCSA-N -1 3 375.780 3.039 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)c(Cl)c1Cl ZINC000680109128 566893633 /nfs/dbraw/zinc/89/36/33/566893633.db2.gz UKHKUMTZXUJNKB-LSDHHAIUSA-N -1 3 380.293 3.238 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C2CC2)s1 ZINC000680108579 566893939 /nfs/dbraw/zinc/89/39/39/566893939.db2.gz ARUFZSISBCXGPU-DGCLKSJQSA-N -1 3 380.329 3.055 20 0 GGADHM O=S(=O)(C[C@@H]1CCC(F)(F)C1)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000632570825 566895620 /nfs/dbraw/zinc/89/56/20/566895620.db2.gz ZINSTBVRVYRDLG-BXKDBHETSA-N -1 3 388.263 3.382 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]([C@@H](CO)C3CC3)C3CC3)s2)cs1 ZINC000451854213 566895715 /nfs/dbraw/zinc/89/57/15/566895715.db2.gz MUNDNHWATBKMOY-GUYCJALGSA-N -1 3 398.575 3.255 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl ZINC000451856295 566895816 /nfs/dbraw/zinc/89/58/16/566895816.db2.gz PIUFTRCTIAUGNW-MEDUHNTESA-N -1 3 394.320 3.077 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1Cl ZINC000451857020 566895830 /nfs/dbraw/zinc/89/58/30/566895830.db2.gz QFPKNWCQXDGACE-BDJLRTHQSA-N -1 3 394.320 3.077 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]([C@H](CO)C3CC3)C3CC3)s2)cs1 ZINC000451854212 566895836 /nfs/dbraw/zinc/89/58/36/566895836.db2.gz MUNDNHWATBKMOY-DYVFJYSZSA-N -1 3 398.575 3.255 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1Cl ZINC000451857021 566895886 /nfs/dbraw/zinc/89/58/86/566895886.db2.gz QFPKNWCQXDGACE-BZNIZROVSA-N -1 3 394.320 3.077 20 0 GGADHM Cc1cnc(OC2CCN(Cc3cccc([O-])c3Br)CC2)nc1 ZINC000656271823 566896920 /nfs/dbraw/zinc/89/69/20/566896920.db2.gz YOBSNHYCOVJBDM-UHFFFAOYSA-N -1 3 378.270 3.297 20 0 GGADHM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491186928 566897014 /nfs/dbraw/zinc/89/70/14/566897014.db2.gz MHSXPWNOSPCXTE-CYBMUJFWSA-N -1 3 383.901 3.082 20 0 GGADHM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000451867614 566897336 /nfs/dbraw/zinc/89/73/36/566897336.db2.gz ZFEPDTYDDYNSOA-SWLSCSKDSA-N -1 3 397.846 3.434 20 0 GGADHM C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1=CCN(C)CC1 ZINC000543652348 566897567 /nfs/dbraw/zinc/89/75/67/566897567.db2.gz FBWJPKZGQXSBGP-NSHDSACASA-N -1 3 377.901 3.052 20 0 GGADHM CC(C)N1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CC1 ZINC000543658090 566898023 /nfs/dbraw/zinc/89/80/23/566898023.db2.gz VNNQAORCHMKNSL-UHFFFAOYSA-N -1 3 379.917 3.228 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc3nccnc3cc2F)c1 ZINC000470722294 566898882 /nfs/dbraw/zinc/89/88/82/566898882.db2.gz IBSRSNWOZSSQSM-UHFFFAOYSA-N -1 3 379.800 3.078 20 0 GGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000470754718 566901426 /nfs/dbraw/zinc/90/14/26/566901426.db2.gz JUJJTHTVHXKPGF-UHFFFAOYSA-N -1 3 393.818 3.453 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(Br)cc2F)c(=O)[n-]1 ZINC000582877047 566901386 /nfs/dbraw/zinc/90/13/86/566901386.db2.gz GZJFSBFJPNVZPM-QMMMGPOBSA-N -1 3 382.233 3.121 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1cnc(C)s1 ZINC000632650478 566901641 /nfs/dbraw/zinc/90/16/41/566901641.db2.gz LFTMJUIUBCZCRM-QMMMGPOBSA-N -1 3 391.312 3.262 20 0 GGADHM CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000582884761 566901882 /nfs/dbraw/zinc/90/18/82/566901882.db2.gz ADKCFPKYQQXXAP-NSHDSACASA-N -1 3 392.315 3.334 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cnc(C)s2)c1 ZINC000632650837 566902042 /nfs/dbraw/zinc/90/20/42/566902042.db2.gz KARVNKUUUMLAFD-QMMMGPOBSA-N -1 3 391.312 3.262 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000543688495 566902121 /nfs/dbraw/zinc/90/21/21/566902121.db2.gz ZNGGYZVZWYCWMX-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000582884760 566902141 /nfs/dbraw/zinc/90/21/41/566902141.db2.gz ADKCFPKYQQXXAP-LLVKDONJSA-N -1 3 392.315 3.334 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CCCCC1 ZINC000451895813 566902480 /nfs/dbraw/zinc/90/24/80/566902480.db2.gz YQMZBEXZKHUUOY-UHFFFAOYSA-N -1 3 388.917 3.099 20 0 GGADHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000632650481 566902639 /nfs/dbraw/zinc/90/26/39/566902639.db2.gz LJGBPRYNMMIQHR-MRVPVSSYSA-N -1 3 385.898 3.029 20 0 GGADHM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491300010 566902754 /nfs/dbraw/zinc/90/27/54/566902754.db2.gz WGVQONDBRGPEFU-CYBMUJFWSA-N -1 3 383.901 3.082 20 0 GGADHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491300011 566903101 /nfs/dbraw/zinc/90/31/01/566903101.db2.gz WGVQONDBRGPEFU-ZDUSSCGKSA-N -1 3 383.901 3.082 20 0 GGADHM C[C@@]1(c2ccc(CNCc3c(Cl)cccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000518781994 566903139 /nfs/dbraw/zinc/90/31/39/566903139.db2.gz HFYBWJURFFKUQF-SFHVURJKSA-N -1 3 378.259 3.338 20 0 GGADHM O=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)Nc1c([O-])cccc1Cl ZINC000563635541 566904024 /nfs/dbraw/zinc/90/40/24/566904024.db2.gz JCNANYDVXRQYFM-UHFFFAOYSA-N -1 3 379.865 3.411 20 0 GGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C(=O)c2ccc(Cl)s2)[n-]1 ZINC000429041573 566905054 /nfs/dbraw/zinc/90/50/54/566905054.db2.gz MFCZKKICQDRQNJ-UHFFFAOYSA-N -1 3 383.857 3.465 20 0 GGADHM CCCCc1nc(NC(=O)C(=O)c2ccc(Cl)s2)c(C(=O)OCC)[n-]1 ZINC000429041573 566905063 /nfs/dbraw/zinc/90/50/63/566905063.db2.gz MFCZKKICQDRQNJ-UHFFFAOYSA-N -1 3 383.857 3.465 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1cncc(Br)c1 ZINC000518849157 566905861 /nfs/dbraw/zinc/90/58/61/566905861.db2.gz YEZXOLIPQCHBEX-ZDUSSCGKSA-N -1 3 381.295 3.243 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1F)NCc1ccc([O-])c(Br)c1 ZINC000543728263 566906023 /nfs/dbraw/zinc/90/60/23/566906023.db2.gz XMGNNPRZJUWNEH-UHFFFAOYSA-N -1 3 392.221 3.053 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)o1 ZINC000632682487 566906440 /nfs/dbraw/zinc/90/64/40/566906440.db2.gz DTZNMAFIFOMAAA-CYBMUJFWSA-N -1 3 385.869 3.135 20 0 GGADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1 ZINC000563676239 566908088 /nfs/dbraw/zinc/90/80/88/566908088.db2.gz ZWGZKIGFPYVBAF-UHFFFAOYSA-N -1 3 381.837 3.271 20 0 GGADHM O=c1cc(C[S@](=O)Cc2ccc(F)c(Br)c2)nc(C2CC2)[n-]1 ZINC000563690595 566908655 /nfs/dbraw/zinc/90/86/55/566908655.db2.gz BWPHNLHYNNVRIG-JOCHJYFZSA-N -1 3 385.258 3.410 20 0 GGADHM CCC[C@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000611304916 566908636 /nfs/dbraw/zinc/90/86/36/566908636.db2.gz KYHNRGRWMYXEFV-VIFPVBQESA-N -1 3 384.217 3.051 20 0 GGADHM O=c1cc(C[S@@](=O)Cc2ccc(F)c(Br)c2)nc(C2CC2)[n-]1 ZINC000563690615 566908700 /nfs/dbraw/zinc/90/87/00/566908700.db2.gz BWPHNLHYNNVRIG-QFIPXVFZSA-N -1 3 385.258 3.410 20 0 GGADHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491562192 566909023 /nfs/dbraw/zinc/90/90/23/566909023.db2.gz WMLCXQIHYFUNKC-IUODEOHRSA-N -1 3 375.918 3.204 20 0 GGADHM CSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491572041 566909790 /nfs/dbraw/zinc/90/97/90/566909790.db2.gz KEKHRJZALYYCPU-CQSZACIVSA-N -1 3 393.958 3.319 20 0 GGADHM CSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491572040 566910012 /nfs/dbraw/zinc/91/00/12/566910012.db2.gz KEKHRJZALYYCPU-AWEZNQCLSA-N -1 3 393.958 3.319 20 0 GGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000563726709 566910484 /nfs/dbraw/zinc/91/04/84/566910484.db2.gz WKXAVVBHWSHZSR-SNVBAGLBSA-N -1 3 387.395 3.190 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1ccc(Cl)cc1 ZINC000543801605 566910829 /nfs/dbraw/zinc/91/08/29/566910829.db2.gz QXZBXGGFTQJDDG-AWEZNQCLSA-N -1 3 385.844 3.370 20 0 GGADHM C[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC=CCC1 ZINC000451929964 566911073 /nfs/dbraw/zinc/91/10/73/566911073.db2.gz TXHQKCUTSSEJME-MRXNPFEDSA-N -1 3 391.320 3.134 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)c1F ZINC000543792399 566911249 /nfs/dbraw/zinc/91/12/49/566911249.db2.gz JUQLIZKRSBJQAJ-UHFFFAOYSA-N -1 3 384.860 3.485 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)c1 ZINC000518953151 566911510 /nfs/dbraw/zinc/91/15/10/566911510.db2.gz GGXXXUHBPUUZJH-UHFFFAOYSA-N -1 3 377.443 3.273 20 0 GGADHM C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000582982219 566911743 /nfs/dbraw/zinc/91/17/43/566911743.db2.gz QYFUVKOLCPJNHO-GFCCVEGCSA-N -1 3 386.249 3.366 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)CCc2ccccc2)c1Br ZINC000491606853 566912392 /nfs/dbraw/zinc/91/23/92/566912392.db2.gz JGKREDIOUVOIKJ-UHFFFAOYSA-N -1 3 398.278 3.220 20 0 GGADHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491611165 566912919 /nfs/dbraw/zinc/91/29/19/566912919.db2.gz XTOHTUQXMGSQRZ-ZWKOTPCHSA-N -1 3 387.929 3.348 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1CO)c1cc(Cl)ccc1OCCC1CC1 ZINC000491607026 566913236 /nfs/dbraw/zinc/91/32/36/566913236.db2.gz KVKQELPYDZECIE-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000518976274 566913358 /nfs/dbraw/zinc/91/33/58/566913358.db2.gz ZMMPCOSDNKNZKV-UHFFFAOYSA-N -1 3 399.310 3.325 20 0 GGADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000611343193 566913557 /nfs/dbraw/zinc/91/35/57/566913557.db2.gz WPKYWJSNLQQLOH-UHFFFAOYSA-N -1 3 398.344 3.301 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C1C[C@H](C)C[C@@H](C)C1 ZINC000563764654 566914731 /nfs/dbraw/zinc/91/47/31/566914731.db2.gz ANOUQZXQXGMHJT-GHMZBOCLSA-N -1 3 388.917 3.410 20 0 GGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000451964593 566915025 /nfs/dbraw/zinc/91/50/25/566915025.db2.gz BMODBYFGBLOVFM-ISVAXAHUSA-N -1 3 382.707 3.194 20 0 GGADHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000680537176 566916451 /nfs/dbraw/zinc/91/64/51/566916451.db2.gz YDIUTAKOXZZZSH-OLZOCXBDSA-N -1 3 382.309 3.083 20 0 GGADHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000680537175 566916788 /nfs/dbraw/zinc/91/67/88/566916788.db2.gz YDIUTAKOXZZZSH-CHWSQXEVSA-N -1 3 382.309 3.083 20 0 GGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000451971969 566916981 /nfs/dbraw/zinc/91/69/81/566916981.db2.gz NRSHSWPAOPLVRN-ISVAXAHUSA-N -1 3 382.707 3.194 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000519023189 566917313 /nfs/dbraw/zinc/91/73/13/566917313.db2.gz CZECWELTETXOCE-UHFFFAOYSA-N -1 3 391.873 3.464 20 0 GGADHM Cc1ccnc([C@@H](NC(=O)Cc2ccc(Br)cc2[O-])C2CC2)n1 ZINC000491922490 566919304 /nfs/dbraw/zinc/91/93/04/566919304.db2.gz VOUPKRDNERMIKG-INIZCTEOSA-N -1 3 376.254 3.063 20 0 GGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000563814148 566919910 /nfs/dbraw/zinc/91/99/10/566919910.db2.gz OTVBXJOLQXLMBZ-GFCCVEGCSA-N -1 3 380.286 3.442 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000491981045 566920620 /nfs/dbraw/zinc/92/06/20/566920620.db2.gz SEZZCESJRMMRTN-STQMWFEESA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000491981045 566920624 /nfs/dbraw/zinc/92/06/24/566920624.db2.gz SEZZCESJRMMRTN-STQMWFEESA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000491981045 566920629 /nfs/dbraw/zinc/92/06/29/566920629.db2.gz SEZZCESJRMMRTN-STQMWFEESA-N -1 3 384.237 3.371 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000492013863 566920705 /nfs/dbraw/zinc/92/07/05/566920705.db2.gz NMHYKEQSMFNQSL-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000491981044 566921388 /nfs/dbraw/zinc/92/13/88/566921388.db2.gz SEZZCESJRMMRTN-QWHCGFSZSA-N -1 3 384.237 3.371 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC(F)(F)F ZINC000519116242 566921474 /nfs/dbraw/zinc/92/14/74/566921474.db2.gz ZOGZZIKIWUEYGI-VIFPVBQESA-N -1 3 398.834 3.482 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000491981044 566921395 /nfs/dbraw/zinc/92/13/95/566921395.db2.gz SEZZCESJRMMRTN-QWHCGFSZSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000491981044 566921401 /nfs/dbraw/zinc/92/14/01/566921401.db2.gz SEZZCESJRMMRTN-QWHCGFSZSA-N -1 3 384.237 3.371 20 0 GGADHM COc1ccc(Br)c(CN(C)[C@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000429310231 566922218 /nfs/dbraw/zinc/92/22/18/566922218.db2.gz TWRUZXJIQXKVLB-LLVKDONJSA-N -1 3 382.258 3.213 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1cccc(C2CCC2)c1 ZINC000519130894 566922044 /nfs/dbraw/zinc/92/20/44/566922044.db2.gz RKRNOMZWEIERAQ-UHFFFAOYSA-N -1 3 379.507 3.116 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000656613867 566922684 /nfs/dbraw/zinc/92/26/84/566922684.db2.gz BFCYPSIDBIPTNR-RNCFNFMXSA-N -1 3 387.807 3.152 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1n1cccn1 ZINC000452016843 566922889 /nfs/dbraw/zinc/92/28/89/566922889.db2.gz PPSLMJSBPHXEBC-JTNHKYCSSA-N -1 3 389.930 3.074 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000656613869 566923160 /nfs/dbraw/zinc/92/31/60/566923160.db2.gz BFCYPSIDBIPTNR-ZANVPECISA-N -1 3 387.807 3.152 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c(F)ccc(Br)c1F ZINC000492090705 566923431 /nfs/dbraw/zinc/92/34/31/566923431.db2.gz ZTFVSQPPLCXZDR-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c(F)ccc(Br)c1F ZINC000492090705 566923439 /nfs/dbraw/zinc/92/34/39/566923439.db2.gz ZTFVSQPPLCXZDR-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM COc1ccc(CN[C@@]2(CO)CCc3ccccc32)c(Br)c1[O-] ZINC000680627591 566923849 /nfs/dbraw/zinc/92/38/49/566923849.db2.gz OLRFHGWKBHDBRW-GOSISDBHSA-N -1 3 378.266 3.087 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)cc1Cl ZINC000519153076 566923804 /nfs/dbraw/zinc/92/38/04/566923804.db2.gz YRNVTXKUUSRDOT-VIFPVBQESA-N -1 3 390.889 3.409 20 0 GGADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1ccc(Br)s1 ZINC000429336942 566923981 /nfs/dbraw/zinc/92/39/81/566923981.db2.gz XDTFCEPYRBLEGP-UHFFFAOYSA-N -1 3 398.307 3.175 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000519151036 566924006 /nfs/dbraw/zinc/92/40/06/566924006.db2.gz ZLLYKBVUFQBZDD-MRXNPFEDSA-N -1 3 383.466 3.494 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](c2cccnc2)C1 ZINC000519147658 566924161 /nfs/dbraw/zinc/92/41/61/566924161.db2.gz SQSWKSVLHNEVBV-CQSZACIVSA-N -1 3 376.254 3.249 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)CO)c1 ZINC000429328691 566924254 /nfs/dbraw/zinc/92/42/54/566924254.db2.gz DWSKDSAQIOOGAR-QGZVFWFLSA-N -1 3 383.897 3.387 20 0 GGADHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000452031533 566924673 /nfs/dbraw/zinc/92/46/73/566924673.db2.gz LKZQKGRGFSHNCP-UHFFFAOYSA-N -1 3 384.723 3.178 20 0 GGADHM COc1ccc(CN(C)CC(=O)N(C)C2CCCCC2)c(Br)c1[O-] ZINC000680651461 566924767 /nfs/dbraw/zinc/92/47/67/566924767.db2.gz WKEBLLKRBLMAJS-UHFFFAOYSA-N -1 3 399.329 3.386 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCc2ccccc2Cl)ccc1C(=O)N(C)C ZINC000656622893 566924842 /nfs/dbraw/zinc/92/48/42/566924842.db2.gz ALWPFZCWEGCCHI-UHFFFAOYSA-N -1 3 380.897 3.335 20 0 GGADHM COc1ccc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(Br)c1[O-] ZINC000680650311 566925311 /nfs/dbraw/zinc/92/53/11/566925311.db2.gz LQLNBFAUYXNKGD-LDYMZIIASA-N -1 3 384.192 3.315 20 0 GGADHM Cc1ccncc1[C@@H](C)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000563876373 566925288 /nfs/dbraw/zinc/92/52/88/566925288.db2.gz AHXJQNRIUDVERF-GFCCVEGCSA-N -1 3 388.320 3.326 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OCC(C)C)c(Cl)c1)[C@H]1CCOC1 ZINC000656616925 566925245 /nfs/dbraw/zinc/92/52/45/566925245.db2.gz VTSNDCZAHGQOJW-SUMWQHHRSA-N -1 3 391.917 3.168 20 0 GGADHM COc1ccc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(Br)c1[O-] ZINC000680650305 566925433 /nfs/dbraw/zinc/92/54/33/566925433.db2.gz LQLNBFAUYXNKGD-GZMMTYOYSA-N -1 3 384.192 3.315 20 0 GGADHM COc1ccc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c(Br)c1[O-] ZINC000680649455 566925503 /nfs/dbraw/zinc/92/55/03/566925503.db2.gz BSFIQUUUFCMVIN-ZDUSSCGKSA-N -1 3 396.285 3.077 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000583155149 566925622 /nfs/dbraw/zinc/92/56/22/566925622.db2.gz NCPXDWGLHQDLOF-QWHCGFSZSA-N -1 3 391.320 3.205 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(CNc3ccccc3Cl)n2)cc1 ZINC000680673054 566926072 /nfs/dbraw/zinc/92/60/72/566926072.db2.gz DEQZSFYGBRCTIU-UHFFFAOYSA-N -1 3 378.841 3.374 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccon1 ZINC000543977178 566926326 /nfs/dbraw/zinc/92/63/26/566926326.db2.gz LDHUKVHHHOZJBA-QMMMGPOBSA-N -1 3 379.663 3.271 20 0 GGADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c1 ZINC000583167232 566926911 /nfs/dbraw/zinc/92/69/11/566926911.db2.gz PAMRZAXJDWQVBD-UHFFFAOYSA-N -1 3 376.768 3.260 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)OCCc2sccc21 ZINC000519236018 566927420 /nfs/dbraw/zinc/92/74/20/566927420.db2.gz JKOHUFJGTCNMNV-INIZCTEOSA-N -1 3 382.894 3.040 20 0 GGADHM Cc1c([N-]S(=O)(=O)CCc2ccccc2Cl)cnn1C1CCOCC1 ZINC000656631070 566927856 /nfs/dbraw/zinc/92/78/56/566927856.db2.gz IPRLZLSORVTWRR-UHFFFAOYSA-N -1 3 383.901 3.181 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000563919731 566928105 /nfs/dbraw/zinc/92/81/05/566928105.db2.gz CGMDPVMYTHGACS-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cnc1C)C1CCCCC1 ZINC000656632509 566928300 /nfs/dbraw/zinc/92/83/00/566928300.db2.gz XGSUKPXZSJXQEL-OAHLLOKOSA-N -1 3 391.331 3.490 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)s1 ZINC000452053816 566928359 /nfs/dbraw/zinc/92/83/59/566928359.db2.gz PITOKVGEADIJCX-UHFFFAOYSA-N -1 3 396.372 3.429 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cnc1C)C1CCCC1 ZINC000656632294 566928780 /nfs/dbraw/zinc/92/87/80/566928780.db2.gz VKMDTLQIJQDVRK-CQSZACIVSA-N -1 3 377.304 3.099 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCCCC1 ZINC000519253241 566929536 /nfs/dbraw/zinc/92/95/36/566929536.db2.gz GJAHLKGFHFARNA-UHFFFAOYSA-N -1 3 396.292 3.156 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2)cc1Cl ZINC000519254897 566929711 /nfs/dbraw/zinc/92/97/11/566929711.db2.gz CRZKOGBWZGXDDF-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000452071071 566930269 /nfs/dbraw/zinc/93/02/69/566930269.db2.gz SXODBZVBZSZTHG-CHWSQXEVSA-N -1 3 380.279 3.214 20 0 GGADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1cc(F)c(F)c(F)c1 ZINC000452074993 566930395 /nfs/dbraw/zinc/93/03/95/566930395.db2.gz BMFMISWHCMVKLI-OAHLLOKOSA-N -1 3 391.436 3.348 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@@H]3CCCS3)no2)cc1 ZINC000680766387 566931215 /nfs/dbraw/zinc/93/12/15/566931215.db2.gz QYWFWGZGXUOJCO-AWEZNQCLSA-N -1 3 383.495 3.367 20 0 GGADHM O=c1[nH]cc(Br)cc1Cc1noc(-c2ccc3nc([O-])oc3c2)n1 ZINC000680778008 566931246 /nfs/dbraw/zinc/93/12/46/566931246.db2.gz RMCTWDJAXVEANK-UHFFFAOYSA-N -1 3 389.165 3.037 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C)cc(Br)c2)CCCC1 ZINC000583236024 566931301 /nfs/dbraw/zinc/93/13/01/566931301.db2.gz MPOVFLGZRPBQBY-UHFFFAOYSA-N -1 3 390.299 3.233 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@H]3CCCS3)no2)cc1 ZINC000680766389 566931528 /nfs/dbraw/zinc/93/15/28/566931528.db2.gz QYWFWGZGXUOJCO-CQSZACIVSA-N -1 3 383.495 3.367 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)s2)nc2cc(Cl)ccc21 ZINC000492443171 566934529 /nfs/dbraw/zinc/93/45/29/566934529.db2.gz QOBNJYRGTPFOMA-UHFFFAOYSA-N -1 3 376.290 3.420 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CCCCC1 ZINC000564007337 566935315 /nfs/dbraw/zinc/93/53/15/566935315.db2.gz FGKPFPKNEKYDOI-UHFFFAOYSA-N -1 3 389.901 3.002 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cccc(Br)c1F ZINC000544076408 566936159 /nfs/dbraw/zinc/93/61/59/566936159.db2.gz ZKXAAAITRHVHJM-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c(Cl)c1 ZINC000680854887 566936423 /nfs/dbraw/zinc/93/64/23/566936423.db2.gz CWPFKPOFBSRQEI-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000544105096 566938715 /nfs/dbraw/zinc/93/87/15/566938715.db2.gz OFRHFDUBBMZLRA-MNOVXSKESA-N -1 3 380.279 3.072 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c(Cl)c1Cl ZINC000544100096 566938743 /nfs/dbraw/zinc/93/87/43/566938743.db2.gz RCBVOZOOBJPAAC-QWRGUYRKSA-N -1 3 382.309 3.486 20 0 GGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000544105098 566938989 /nfs/dbraw/zinc/93/89/89/566938989.db2.gz OFRHFDUBBMZLRA-WDEREUQCSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2CC(F)(F)C2)no1 ZINC000564046147 566938988 /nfs/dbraw/zinc/93/89/88/566938988.db2.gz POIAWSUZGHVFJA-SECBINFHSA-N -1 3 391.827 3.350 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000544102014 566939647 /nfs/dbraw/zinc/93/96/47/566939647.db2.gz XOQBNCPWMCWOEL-QWRGUYRKSA-N -1 3 380.279 3.072 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)no1 ZINC000583337162 566940618 /nfs/dbraw/zinc/94/06/18/566940618.db2.gz WHYKJQUKIAJVPL-UHFFFAOYSA-N -1 3 383.417 3.067 20 0 GGADHM CO[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(C)C ZINC000564062122 566940827 /nfs/dbraw/zinc/94/08/27/566940827.db2.gz HKTYGDOYABFTFU-GFCCVEGCSA-N -1 3 381.270 3.082 20 0 GGADHM CO[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(C)C ZINC000564062123 566941049 /nfs/dbraw/zinc/94/10/49/566941049.db2.gz HKTYGDOYABFTFU-LBPRGKRZSA-N -1 3 381.270 3.082 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cs1 ZINC000452137865 566941499 /nfs/dbraw/zinc/94/14/99/566941499.db2.gz AVGABMCNBVUUEG-ZDUSSCGKSA-N -1 3 394.338 3.464 20 0 GGADHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130670 566941584 /nfs/dbraw/zinc/94/15/84/566941584.db2.gz ZYAGWOWKQVENDA-FIXISWKDSA-N -1 3 385.277 3.096 20 0 GGADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130672 566941799 /nfs/dbraw/zinc/94/17/99/566941799.db2.gz ZYAGWOWKQVENDA-PGUXBMHVSA-N -1 3 385.277 3.096 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)cc1Cl ZINC000519465240 566941780 /nfs/dbraw/zinc/94/17/80/566941780.db2.gz VPUMRUUAKHBPBU-HNNXBMFYSA-N -1 3 398.308 3.214 20 0 GGADHM Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N=c1ncnc2[nH][n-]cc1-2 ZINC000564063205 566942116 /nfs/dbraw/zinc/94/21/16/566942116.db2.gz COCBKDYFGPRMMR-AWEZNQCLSA-N -1 3 383.253 3.460 20 0 GGADHM Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3N=c1ncnc2[nH][n-]cc1-2 ZINC000564063206 566942162 /nfs/dbraw/zinc/94/21/62/566942162.db2.gz COCBKDYFGPRMMR-CQSZACIVSA-N -1 3 383.253 3.460 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1OC(F)F ZINC000429631741 566942739 /nfs/dbraw/zinc/94/27/39/566942739.db2.gz PJMUXNZIQXKFIW-SNVBAGLBSA-N -1 3 388.827 3.455 20 0 GGADHM C[C@@H](OCCC[N-]S(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000519489811 566942805 /nfs/dbraw/zinc/94/28/05/566942805.db2.gz VRTBWOZTLGUOFV-CYBMUJFWSA-N -1 3 399.310 3.290 20 0 GGADHM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000471287109 566943231 /nfs/dbraw/zinc/94/32/31/566943231.db2.gz HSBGVOLVVFDKAV-IUCAKERBSA-N -1 3 382.251 3.009 20 0 GGADHM CC1(CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000519486730 566943496 /nfs/dbraw/zinc/94/34/96/566943496.db2.gz YZGOBUGBOIFZTA-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM C[C@@H](c1ccco1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000519483297 566943582 /nfs/dbraw/zinc/94/35/82/566943582.db2.gz ZAEQFVYXOZTWEN-JTQLQIEISA-N -1 3 391.276 3.084 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429841188 566956426 /nfs/dbraw/zinc/95/64/26/566956426.db2.gz DMOZBFANKPMYAM-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM Cn1[n-]c(=NC(=O)NC(c2cccs2)c2cccs2)cc1OC(F)F ZINC000429642661 566944277 /nfs/dbraw/zinc/94/42/77/566944277.db2.gz AGUMPCQHYUALFB-UHFFFAOYSA-N -1 3 384.433 3.478 20 0 GGADHM CCN(C(C)=O)c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)cn1 ZINC000656737662 566944427 /nfs/dbraw/zinc/94/44/27/566944427.db2.gz LOIMKMHTZXPHEL-UHFFFAOYSA-N -1 3 385.848 3.189 20 0 GGADHM CCN(C(C)=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cn1 ZINC000656738337 566944773 /nfs/dbraw/zinc/94/47/73/566944773.db2.gz SXHVGQPKMQXDPY-UHFFFAOYSA-N -1 3 385.848 3.189 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c(Cl)c1Cl ZINC000564103468 566944687 /nfs/dbraw/zinc/94/46/87/566944687.db2.gz YLECQBDCEJXZEL-SNVBAGLBSA-N -1 3 388.272 3.457 20 0 GGADHM Cn1[n-]c(=NC(=O)NCCc2cc(Cl)cc(Cl)c2)cc1OC(F)F ZINC000429656481 566945003 /nfs/dbraw/zinc/94/50/03/566945003.db2.gz CXHLBYVMSROOBQ-UHFFFAOYSA-N -1 3 379.194 3.114 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccncc2OCCC(C)(C)C)s1 ZINC000564093187 566945311 /nfs/dbraw/zinc/94/53/11/566945311.db2.gz CYKADDUVNUVDDV-UHFFFAOYSA-N -1 3 383.539 3.394 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000680978253 566945630 /nfs/dbraw/zinc/94/56/30/566945630.db2.gz HVCGTWMCGOKONR-QMMMGPOBSA-N -1 3 390.221 3.467 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000564111395 566946719 /nfs/dbraw/zinc/94/67/19/566946719.db2.gz WNEZBRAKYGPPBB-LBPRGKRZSA-N -1 3 379.787 3.423 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(=O)OC ZINC000493419344 566947045 /nfs/dbraw/zinc/94/70/45/566947045.db2.gz YQWSUDCSOIKGEH-AWEZNQCLSA-N -1 3 389.901 3.139 20 0 GGADHM CCOCn1nc(C)c(CC(=O)Nc2c([O-])ccc(Br)c2C)c1C ZINC000633250059 566947223 /nfs/dbraw/zinc/94/72/23/566947223.db2.gz FUFNIGGUHQXNJL-UHFFFAOYSA-N -1 3 396.285 3.452 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCN(C2CC2)C1 ZINC000452171697 566947558 /nfs/dbraw/zinc/94/75/58/566947558.db2.gz LFLBMSICMGQVON-SNVBAGLBSA-N -1 3 387.705 3.364 20 0 GGADHM CCN1CCC(NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CC1 ZINC000471312548 566947770 /nfs/dbraw/zinc/94/77/70/566947770.db2.gz AWXGDXBMUBQPPW-UHFFFAOYSA-N -1 3 383.880 3.025 20 0 GGADHM O=C([O-])C1CCC(O)(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000656760679 566948420 /nfs/dbraw/zinc/94/84/20/566948420.db2.gz XKNARORDBNDNCJ-UHFFFAOYSA-N -1 3 387.307 3.121 20 0 GGADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000612006096 566948454 /nfs/dbraw/zinc/94/84/54/566948454.db2.gz ZOXRUGNSUPNAJQ-UHFFFAOYSA-N -1 3 381.475 3.151 20 0 GGADHM CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681032566 566949067 /nfs/dbraw/zinc/94/90/67/566949067.db2.gz BVGIGVNBQLBDCN-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000493543882 566949088 /nfs/dbraw/zinc/94/90/88/566949088.db2.gz KFWUUXWMEMEXOR-UWVGGRQHSA-N -1 3 399.740 3.339 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000471340113 566949142 /nfs/dbraw/zinc/94/91/42/566949142.db2.gz IZQAQRQQMNRBOH-UHFFFAOYSA-N -1 3 379.243 3.014 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)nc2ccccc12 ZINC000564139887 566950021 /nfs/dbraw/zinc/95/00/21/566950021.db2.gz VNFSVUIALLAUJX-UHFFFAOYSA-N -1 3 387.408 3.497 20 0 GGADHM Cc1ncc(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c(=O)[n-]1 ZINC000544264370 566950184 /nfs/dbraw/zinc/95/01/84/566950184.db2.gz ZMTMDZIZLFOXSJ-UHFFFAOYSA-N -1 3 380.882 3.188 20 0 GGADHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(C2CC2)c1 ZINC000452193953 566950770 /nfs/dbraw/zinc/95/07/70/566950770.db2.gz KZIBFGMUYLNYJY-CYBMUJFWSA-N -1 3 378.519 3.171 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1C ZINC000583419135 566951010 /nfs/dbraw/zinc/95/10/10/566951010.db2.gz CIXKQCHSBBDJGW-UHFFFAOYSA-N -1 3 380.272 3.444 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000429807094 566951081 /nfs/dbraw/zinc/95/10/81/566951081.db2.gz DUPPCRICBQFPCR-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429869490 566961491 /nfs/dbraw/zinc/96/14/91/566961491.db2.gz FPPBIFZZPJYLLZ-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)Cc1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000471418661 566951598 /nfs/dbraw/zinc/95/15/98/566951598.db2.gz KWVHXTAISZKLOG-UHFFFAOYSA-N -1 3 379.258 3.465 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1cccc(Br)c1F ZINC000564159625 566952377 /nfs/dbraw/zinc/95/23/77/566952377.db2.gz DLZFESAYYTVUPT-GFCCVEGCSA-N -1 3 386.242 3.260 20 0 GGADHM CC(C)CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429818005 566952524 /nfs/dbraw/zinc/95/25/24/566952524.db2.gz BNFLDHGQVZAAPB-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CC(C)(CF)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000493629333 566952968 /nfs/dbraw/zinc/95/29/68/566952968.db2.gz AMZVARCDVKDCQL-ZDUSSCGKSA-N -1 3 379.881 3.314 20 0 GGADHM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429820665 566952927 /nfs/dbraw/zinc/95/29/27/566952927.db2.gz OJBXATKRGURQOZ-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM CC1(C)CC(CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000519622888 566953167 /nfs/dbraw/zinc/95/31/67/566953167.db2.gz XADSHUSKXRDROU-UHFFFAOYSA-N -1 3 393.336 3.214 20 0 GGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544347194 566953979 /nfs/dbraw/zinc/95/39/79/566953979.db2.gz LHXXZADDAPJQEK-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM COc1cc(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)cc(OC)c1[O-] ZINC000452236355 566954021 /nfs/dbraw/zinc/95/40/21/566954021.db2.gz REZOWNOFUVCSGG-GFCCVEGCSA-N -1 3 376.356 3.208 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493769346 566954264 /nfs/dbraw/zinc/95/42/64/566954264.db2.gz QZJWBLUWKIZQFJ-JTQLQIEISA-N -1 3 389.702 3.407 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000429826899 566954199 /nfs/dbraw/zinc/95/41/99/566954199.db2.gz LEWVWQOEDMRSLF-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429829949 566954472 /nfs/dbraw/zinc/95/44/72/566954472.db2.gz PFUYWDOKFLVTRZ-LLVKDONJSA-N -1 3 398.750 3.426 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(C)(C)C ZINC000429828107 566954546 /nfs/dbraw/zinc/95/45/46/566954546.db2.gz JLDOGTVAWBSBFN-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000519640023 566955250 /nfs/dbraw/zinc/95/52/50/566955250.db2.gz GZGAWVXIDSLKJE-JTQLQIEISA-N -1 3 394.946 3.117 20 0 GGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429835899 566955696 /nfs/dbraw/zinc/95/56/96/566955696.db2.gz DDHPXZGMAXGLMK-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM CS[C@H](C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)C(C)(C)C ZINC000612143725 566955719 /nfs/dbraw/zinc/95/57/19/566955719.db2.gz HCDWTWNMUOWBPF-ZWNOBZJWSA-N -1 3 378.585 3.001 20 0 GGADHM CC[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C(F)F ZINC000452252951 566955865 /nfs/dbraw/zinc/95/58/65/566955865.db2.gz WQYRTWNZHWAFSK-SNVBAGLBSA-N -1 3 394.490 3.062 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]CCC(F)(F)F)cc1Cl ZINC000519656400 566956012 /nfs/dbraw/zinc/95/60/12/566956012.db2.gz BVOWOAUZGQTCOG-UHFFFAOYSA-N -1 3 396.214 3.249 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cccc(Br)c1F ZINC000544349550 566956217 /nfs/dbraw/zinc/95/62/17/566956217.db2.gz BYJQFSNNLOLAON-LLVKDONJSA-N -1 3 392.290 3.358 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429838988 566956395 /nfs/dbraw/zinc/95/63/95/566956395.db2.gz INMWRTSVUMOAGL-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429835897 566956411 /nfs/dbraw/zinc/95/64/11/566956411.db2.gz DDHPXZGMAXGLMK-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000493824636 566956433 /nfs/dbraw/zinc/95/64/33/566956433.db2.gz SXOSUWVXURVPTH-TZMCWYRMSA-N -1 3 393.958 3.175 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1cccc(Cl)c1Br ZINC000493816961 566957070 /nfs/dbraw/zinc/95/70/70/566957070.db2.gz JWASDEDTIKNJEV-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ncccc1N(C)C ZINC000519673646 566957836 /nfs/dbraw/zinc/95/78/36/566957836.db2.gz OMPOSVHNUDXEIW-UHFFFAOYSA-N -1 3 379.869 3.334 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429854039 566957798 /nfs/dbraw/zinc/95/77/98/566957798.db2.gz NNRBGGWCUMWCGU-IDFMNXDXSA-N -1 3 384.350 3.352 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1Br ZINC000429846818 566957879 /nfs/dbraw/zinc/95/78/79/566957879.db2.gz FCPHOVHSUMCKMV-ZDUSSCGKSA-N -1 3 390.686 3.114 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)c3ccccc3Cl)cc2C1 ZINC000656862868 566957745 /nfs/dbraw/zinc/95/77/45/566957745.db2.gz LQRLPTQBOHZGBK-LLVKDONJSA-N -1 3 398.937 3.346 20 0 GGADHM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000656862334 566957891 /nfs/dbraw/zinc/95/78/91/566957891.db2.gz FTINJLQFSJLHFT-INIZCTEOSA-N -1 3 386.876 3.329 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1Br ZINC000429848082 566958330 /nfs/dbraw/zinc/95/83/30/566958330.db2.gz DVWFFCVXIPHUMY-NSHDSACASA-N -1 3 390.690 3.182 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCCO1 ZINC000493893265 566958896 /nfs/dbraw/zinc/95/88/96/566958896.db2.gz DQPDYJNCKQXYIQ-ONGXEEELSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCCO1 ZINC000493893262 566959127 /nfs/dbraw/zinc/95/91/27/566959127.db2.gz DQPDYJNCKQXYIQ-GXSJLCMTSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429859501 566959268 /nfs/dbraw/zinc/95/92/68/566959268.db2.gz JKYLKMHKZYPARU-KOLCDFICSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429860390 566959295 /nfs/dbraw/zinc/95/92/95/566959295.db2.gz MHRDQHCMVDLDNE-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429865293 566959443 /nfs/dbraw/zinc/95/94/43/566959443.db2.gz HDBOSWKGFFWTQT-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1(C)C ZINC000429862977 566959489 /nfs/dbraw/zinc/95/94/89/566959489.db2.gz CAAGKHTUTAIZDA-NEPJUHHUSA-N -1 3 382.707 3.194 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429860885 566959517 /nfs/dbraw/zinc/95/95/17/566959517.db2.gz QRUZZXRCEDADIB-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000429865681 566959520 /nfs/dbraw/zinc/95/95/20/566959520.db2.gz IFOUBRYBPZRFJP-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)OC(C)(C)C ZINC000429858559 566959765 /nfs/dbraw/zinc/95/97/65/566959765.db2.gz MRFVEHTUWSMUHD-QMMMGPOBSA-N -1 3 398.706 3.111 20 0 GGADHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000429859042 566960185 /nfs/dbraw/zinc/96/01/85/566960185.db2.gz OWAQQHJHIMQJRF-CYBMUJFWSA-N -1 3 390.288 3.020 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493910172 566960323 /nfs/dbraw/zinc/96/03/23/566960323.db2.gz ZHTPSCNVEPXXAT-RNCFNFMXSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1cccc(Cl)c1Br ZINC000493915442 566960546 /nfs/dbraw/zinc/96/05/46/566960546.db2.gz DSHVQFPPMQNMET-JTQLQIEISA-N -1 3 382.707 3.340 20 0 GGADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1nc2ccccc2cc1Br ZINC000583526517 566960536 /nfs/dbraw/zinc/96/05/36/566960536.db2.gz PUSJGKMTQMREIY-UHFFFAOYSA-N -1 3 394.232 3.457 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493910174 566960922 /nfs/dbraw/zinc/96/09/22/566960922.db2.gz ZHTPSCNVEPXXAT-ZANVPECISA-N -1 3 384.723 3.178 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO[C@H]1C1CC1 ZINC000493896906 566960612 /nfs/dbraw/zinc/96/06/12/566960612.db2.gz KBNCTVNIIHVIGA-KBPBESRZSA-N -1 3 394.718 3.338 20 0 GGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493901464 566960986 /nfs/dbraw/zinc/96/09/86/566960986.db2.gz UMSWFDSDCFFUTF-JTQLQIEISA-N -1 3 384.723 3.180 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429867695 566961004 /nfs/dbraw/zinc/96/10/04/566961004.db2.gz NVQVLNRUFOFIOA-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(C)(C)O ZINC000429874839 566961038 /nfs/dbraw/zinc/96/10/38/566961038.db2.gz BFWPMROBNDLWSZ-LBPRGKRZSA-N -1 3 384.723 3.176 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429870010 566961067 /nfs/dbraw/zinc/96/10/67/566961067.db2.gz HEMFNVDAZNFZLI-ZDUSSCGKSA-N -1 3 398.750 3.424 20 0 GGADHM Cn1cccc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471563540 566961137 /nfs/dbraw/zinc/96/11/37/566961137.db2.gz ALGXRODRBQOLAL-UHFFFAOYSA-N -1 3 381.654 3.059 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2cccs2)cc(C(F)(F)F)c1 ZINC000471574361 566961201 /nfs/dbraw/zinc/96/12/01/566961201.db2.gz NLQLFNQFLHFUAK-UHFFFAOYSA-N -1 3 378.397 3.068 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@@H]1C1CC1 ZINC000429876374 566961428 /nfs/dbraw/zinc/96/14/28/566961428.db2.gz GWNNMODFOZUUSP-ZIAGYGMSSA-N -1 3 394.718 3.338 20 0 GGADHM CC[C@@H]1CCCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471560836 566961441 /nfs/dbraw/zinc/96/14/41/566961441.db2.gz SGHRBFGHOLYTTH-CQSZACIVSA-N -1 3 378.416 3.482 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)c3cc(C)sc3C)cc2C1 ZINC000656872241 566961573 /nfs/dbraw/zinc/96/15/73/566961573.db2.gz JJOQJUJOSUQUMC-NSHDSACASA-N -1 3 398.575 3.371 20 0 GGADHM O=C(Cc1cncc([O-])c1)NCC1(c2ccc(Br)s2)CCC1 ZINC000519712088 566961854 /nfs/dbraw/zinc/96/18/54/566961854.db2.gz RCPNJEGIVCHUQB-UHFFFAOYSA-N -1 3 381.295 3.392 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)[C@H]2CCCO[C@H]21 ZINC000681255473 566962433 /nfs/dbraw/zinc/96/24/33/566962433.db2.gz KOUTZQYXCZRIHF-LERXQTSPSA-N -1 3 392.290 3.070 20 0 GGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429886535 566962497 /nfs/dbraw/zinc/96/24/97/566962497.db2.gz OMJJBNPVPGWTFX-UHFFFAOYSA-N -1 3 384.723 3.322 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCOC1 ZINC000429882742 566962517 /nfs/dbraw/zinc/96/25/17/566962517.db2.gz UJCFSDXGKHONAV-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM O=C([N-]c1cc(F)cc(F)c1Br)c1cc(Cn2cccn2)on1 ZINC000429884207 566962672 /nfs/dbraw/zinc/96/26/72/566962672.db2.gz XNFDWPJXXUIAKL-UHFFFAOYSA-N -1 3 383.152 3.212 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(C)C ZINC000429881251 566962688 /nfs/dbraw/zinc/96/26/88/566962688.db2.gz UMTBFJHYRHWPHD-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM CC(C)(O)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000471577718 566962657 /nfs/dbraw/zinc/96/26/57/566962657.db2.gz LZTKNJUWSXCPHT-UHFFFAOYSA-N -1 3 382.869 3.240 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCOC1 ZINC000429882744 566962751 /nfs/dbraw/zinc/96/27/51/566962751.db2.gz UJCFSDXGKHONAV-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCOC1 ZINC000429882747 566962945 /nfs/dbraw/zinc/96/29/45/566962945.db2.gz UJCFSDXGKHONAV-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000656874539 566963192 /nfs/dbraw/zinc/96/31/92/566963192.db2.gz MSRUYEVZLSGDNC-UHFFFAOYSA-N -1 3 392.246 3.019 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CN1C1CC1 ZINC000493945220 566963732 /nfs/dbraw/zinc/96/37/32/566963732.db2.gz PCKHEEZLWHRUIW-NXEZZACHSA-N -1 3 393.734 3.006 20 0 GGADHM CN(C)c1cccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000471602227 566963749 /nfs/dbraw/zinc/96/37/49/566963749.db2.gz NSNGQQSBUJAUSF-HNNXBMFYSA-N -1 3 376.375 3.474 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CN1C1CC1 ZINC000493945221 566964038 /nfs/dbraw/zinc/96/40/38/566964038.db2.gz PCKHEEZLWHRUIW-UWVGGRQHSA-N -1 3 393.734 3.006 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)c3ccc(C)cc3)cc2C1 ZINC000656881533 566964172 /nfs/dbraw/zinc/96/41/72/566964172.db2.gz WTXBKHZIMPRYQK-ZDUSSCGKSA-N -1 3 378.519 3.001 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC000564308211 566964094 /nfs/dbraw/zinc/96/40/94/566964094.db2.gz VFVNUBTZECHHEH-QGZVFWFLSA-N -1 3 386.901 3.164 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)c3ccc(C)cc3)cc2C1 ZINC000656881532 566964656 /nfs/dbraw/zinc/96/46/56/566964656.db2.gz WTXBKHZIMPRYQK-CYBMUJFWSA-N -1 3 378.519 3.001 20 0 GGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493951902 566964630 /nfs/dbraw/zinc/96/46/30/566964630.db2.gz FNSFXETZQSWBIC-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429896297 566964700 /nfs/dbraw/zinc/96/47/00/566964700.db2.gz PUQHSRYATXKLDS-RYUDHWBXSA-N -1 3 397.871 3.467 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429896295 566964870 /nfs/dbraw/zinc/96/48/70/566964870.db2.gz PUQHSRYATXKLDS-NEPJUHHUSA-N -1 3 397.871 3.467 20 0 GGADHM COCc1ncsc1C(=O)[N-]c1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000519757834 566965171 /nfs/dbraw/zinc/96/51/71/566965171.db2.gz JDWAFKOSUBSZDL-UHFFFAOYSA-N -1 3 388.898 3.377 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000429902109 566965450 /nfs/dbraw/zinc/96/54/50/566965450.db2.gz LARUVRBPPDYHAL-LLVKDONJSA-N -1 3 399.299 3.203 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C1CCCCC1 ZINC000656891543 566966807 /nfs/dbraw/zinc/96/68/07/566966807.db2.gz RHGOXHUWDRQQGF-INIZCTEOSA-N -1 3 384.567 3.290 20 0 GGADHM CCCNC(=O)C1([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)CCCCC1 ZINC000656892608 566967257 /nfs/dbraw/zinc/96/72/57/566967257.db2.gz PUUGFDGCLMLHID-UHFFFAOYSA-N -1 3 390.908 3.128 20 0 GGADHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656893081 566967995 /nfs/dbraw/zinc/96/79/95/566967995.db2.gz AUDDMODPLIANEY-GOEBONIOSA-N -1 3 384.567 3.290 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N(Cc1cccnc1)C1CC1 ZINC000429943257 566968906 /nfs/dbraw/zinc/96/89/06/566968906.db2.gz FRYOBGPIEYPGED-UHFFFAOYSA-N -1 3 386.253 3.110 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCOc2ccccc21 ZINC000429949642 566968957 /nfs/dbraw/zinc/96/89/57/566968957.db2.gz GVVANPLEOKPCCN-CQSZACIVSA-N -1 3 387.237 3.164 20 0 GGADHM C[C@]1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCOC1 ZINC000544558891 566968985 /nfs/dbraw/zinc/96/89/85/566968985.db2.gz URNUMFZNTIUDDP-HNNXBMFYSA-N -1 3 384.661 3.280 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cs1 ZINC000681314051 566969408 /nfs/dbraw/zinc/96/94/08/566969408.db2.gz MDQHTGPWKCYGJF-SECBINFHSA-N -1 3 398.897 3.336 20 0 GGADHM Cc1csc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)n1 ZINC000429939628 566969243 /nfs/dbraw/zinc/96/92/43/566969243.db2.gz HKJFWQZXQIQLRE-VIFPVBQESA-N -1 3 380.271 3.166 20 0 GGADHM CN(Cc1cc(Cl)cn1C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429953279 566969923 /nfs/dbraw/zinc/96/99/23/566969923.db2.gz LITBUUFMJBTLML-UHFFFAOYSA-N -1 3 396.676 3.175 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC[C@H]3CCCC[C@@H]3C)cc2C1 ZINC000656905003 566970204 /nfs/dbraw/zinc/97/02/04/566970204.db2.gz VOAQHYILHITOMZ-DZGCQCFKSA-N -1 3 384.567 3.147 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656903340 566970775 /nfs/dbraw/zinc/97/07/75/566970775.db2.gz LCVCADWRMNFXKY-VIFPVBQESA-N -1 3 391.262 3.374 20 0 GGADHM Cc1cnc([C@H](C)CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429955439 566971338 /nfs/dbraw/zinc/97/13/38/566971338.db2.gz PHXNYOCZDVMWJX-SECBINFHSA-N -1 3 394.298 3.209 20 0 GGADHM C[C@H]1CCC[C@H](NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471692031 566971591 /nfs/dbraw/zinc/97/15/91/566971591.db2.gz FXWYTQOIICWZBP-GWCFXTLKSA-N -1 3 378.416 3.385 20 0 GGADHM Cc1cnc([C@@H](C)CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429955440 566971712 /nfs/dbraw/zinc/97/17/12/566971712.db2.gz PHXNYOCZDVMWJX-VIFPVBQESA-N -1 3 394.298 3.209 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000544596627 566971776 /nfs/dbraw/zinc/97/17/76/566971776.db2.gz VTQLAZYEOPEWFN-ZDUSSCGKSA-N -1 3 394.251 3.153 20 0 GGADHM CCCCN(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000471704424 566972147 /nfs/dbraw/zinc/97/21/47/566972147.db2.gz DQGKHBWOFIITRH-UHFFFAOYSA-N -1 3 378.416 3.482 20 0 GGADHM COCCC1(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCCC1 ZINC000429980642 566972291 /nfs/dbraw/zinc/97/22/91/566972291.db2.gz SHFOKYCBMVFCNF-UHFFFAOYSA-N -1 3 395.301 3.237 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000564403057 566972794 /nfs/dbraw/zinc/97/27/94/566972794.db2.gz HVLHZUANWBOFTQ-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCCOC1CCCCC1 ZINC000429979479 566972906 /nfs/dbraw/zinc/97/29/06/566972906.db2.gz IQMMGENUIYYXIQ-UHFFFAOYSA-N -1 3 395.301 3.380 20 0 GGADHM CCCO[C@@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000429981721 566972993 /nfs/dbraw/zinc/97/29/93/566972993.db2.gz JHSPCHFBCRZWSY-OAHLLOKOSA-N -1 3 395.301 3.332 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000564403064 566972893 /nfs/dbraw/zinc/97/28/93/566972893.db2.gz HVLHZUANWBOFTQ-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@H](O)CC ZINC000656921120 566973123 /nfs/dbraw/zinc/97/31/23/566973123.db2.gz ZXFXSMQAAPJMIR-CYBMUJFWSA-N -1 3 394.331 3.067 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1ccccc1F ZINC000429981110 566973272 /nfs/dbraw/zinc/97/32/72/566973272.db2.gz FQJXACJBMIABDL-UHFFFAOYSA-N -1 3 377.217 3.022 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@@H](O)CC ZINC000656921123 566973602 /nfs/dbraw/zinc/97/36/02/566973602.db2.gz ZXFXSMQAAPJMIR-ZDUSSCGKSA-N -1 3 394.331 3.067 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000430002449 566973919 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Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000657041707 567007268 /nfs/dbraw/zinc/00/72/68/567007268.db2.gz GLTBUUVHUIDIHT-CYBMUJFWSA-N -1 3 385.942 3.218 20 0 GGADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(OC)c([O-])c1Br ZINC000544927221 567007566 /nfs/dbraw/zinc/00/75/66/567007566.db2.gz AKISZZHHMPOWJC-CABCVRRESA-N -1 3 399.329 3.385 20 0 GGADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000657061488 567008108 /nfs/dbraw/zinc/00/81/08/567008108.db2.gz VLYDITUZOWVDTH-LLVKDONJSA-N -1 3 382.860 3.093 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)[C@@H]1C ZINC000472201047 567008194 /nfs/dbraw/zinc/00/81/94/567008194.db2.gz MOUYRQYPAUATSO-GHMZBOCLSA-N -1 3 378.416 3.338 20 0 GGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000472203109 567008623 /nfs/dbraw/zinc/00/86/23/567008623.db2.gz CMGAUMCXUHTGEC-UHFFFAOYSA-N -1 3 384.723 3.322 20 0 GGADHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2cccc(Br)c2)no1 ZINC000564803241 567009701 /nfs/dbraw/zinc/00/97/01/567009701.db2.gz PZBRBUBYNUGASV-UHFFFAOYSA-N -1 3 382.258 3.432 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000613029611 567010477 /nfs/dbraw/zinc/01/04/77/567010477.db2.gz XXNJPEQAYCQNGO-OCCSQVGLSA-N -1 3 381.270 3.274 20 0 GGADHM CC[C@@H](C(=O)Nc1c([O-])ccc(Br)c1C)N1CCO[C@H](CC)C1 ZINC000452744989 567010703 /nfs/dbraw/zinc/01/07/03/567010703.db2.gz DHQHHFGKNJFLTJ-OCCSQVGLSA-N -1 3 385.302 3.291 20 0 GGADHM CC[C@@H](C(=O)Nc1c([O-])ccc(Br)c1C)N1CCO[C@@H](CC)C1 ZINC000452744987 567010747 /nfs/dbraw/zinc/01/07/47/567010747.db2.gz DHQHHFGKNJFLTJ-JSGCOSHPSA-N -1 3 385.302 3.291 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1cccc(Cl)c1Cl ZINC000657070940 567010969 /nfs/dbraw/zinc/01/09/69/567010969.db2.gz ZTNZRIVUVHAQHF-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM CC[C@H](C(=O)Nc1c([O-])ccc(Br)c1C)N1CCO[C@@H](CC)C1 ZINC000452744986 567011141 /nfs/dbraw/zinc/01/11/41/567011141.db2.gz DHQHHFGKNJFLTJ-GXTWGEPZSA-N -1 3 385.302 3.291 20 0 GGADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000657080645 567012152 /nfs/dbraw/zinc/01/21/52/567012152.db2.gz CBJHOILSBDNURO-ZIAGYGMSSA-N -1 3 375.918 3.470 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000452749407 567012322 /nfs/dbraw/zinc/01/23/22/567012322.db2.gz MBGWXRYGVQLGOX-UHFFFAOYSA-N -1 3 383.286 3.296 20 0 GGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472262087 567013225 /nfs/dbraw/zinc/01/32/25/567013225.db2.gz SYDANQVTHKVKMO-HZMBPMFUSA-N -1 3 378.416 3.338 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CCCNC(=O)c1ccco1 ZINC000452756610 567013541 /nfs/dbraw/zinc/01/35/41/567013541.db2.gz PGNVTSUDQXJTPN-UHFFFAOYSA-N -1 3 381.226 3.205 20 0 GGADHM CCCCOc1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1OC ZINC000584114887 567013634 /nfs/dbraw/zinc/01/36/34/567013634.db2.gz PZPQKBBUTMRUGB-UHFFFAOYSA-N -1 3 382.258 3.044 20 0 GGADHM CC1(C)C(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1(C)C ZINC000472267631 567013678 /nfs/dbraw/zinc/01/36/78/567013678.db2.gz AUBBQYYIASUIKL-UHFFFAOYSA-N -1 3 378.416 3.241 20 0 GGADHM C[C@H](N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1(C)CC1 ZINC000472270167 567014579 /nfs/dbraw/zinc/01/45/79/567014579.db2.gz UKCYSRJEIRHFBY-JTQLQIEISA-N -1 3 378.416 3.338 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(C(=O)OC(C)(C)C)c2)s1 ZINC000613116164 567014704 /nfs/dbraw/zinc/01/47/04/567014704.db2.gz VNKRRCXQFOJIJK-UHFFFAOYSA-N -1 3 382.507 3.139 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)OCCc2sccc21 ZINC000584142419 567015349 /nfs/dbraw/zinc/01/53/49/567015349.db2.gz YDBGEFDBZCHUFP-OAHLLOKOSA-N -1 3 375.874 3.307 20 0 GGADHM CCS(=O)(=O)[N-]Cc1nc(-c2cccc3c(Br)cccc23)no1 ZINC000545048144 567015734 /nfs/dbraw/zinc/01/57/34/567015734.db2.gz BNUYCUWRFJYVSV-UHFFFAOYSA-N -1 3 396.266 3.092 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cc(F)cc(F)c2)no1)c1ccc(Cl)s1 ZINC000545042865 567015786 /nfs/dbraw/zinc/01/57/86/567015786.db2.gz OZNXODSOABHAQI-UHFFFAOYSA-N -1 3 391.808 3.208 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000520665444 567016720 /nfs/dbraw/zinc/01/67/20/567016720.db2.gz NHQHJMNVGIITJV-CYBMUJFWSA-N -1 3 385.835 3.434 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1csc(-c2ccccc2)n1 ZINC000472302668 567016985 /nfs/dbraw/zinc/01/69/85/567016985.db2.gz WKVFXLVNGMQPKS-UHFFFAOYSA-N -1 3 395.893 3.216 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1Cl ZINC000472311941 567017368 /nfs/dbraw/zinc/01/73/68/567017368.db2.gz IKXNIGYFEVIBBB-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM Cc1ccc2sc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)o3)nc2c1C ZINC000634117450 567017664 /nfs/dbraw/zinc/01/76/64/567017664.db2.gz MAMIWLFDBHBOIK-UHFFFAOYSA-N -1 3 379.463 3.009 20 0 GGADHM C[C@@H]1CC[C@@H](N(C)C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000430468426 567018275 /nfs/dbraw/zinc/01/82/75/567018275.db2.gz GBKGMGKRPREWOU-VXGBXAGGSA-N -1 3 393.336 3.309 20 0 GGADHM C[C@@]1(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCCS1 ZINC000472324627 567018527 /nfs/dbraw/zinc/01/85/27/567018527.db2.gz WLLVZWUUBVMAHH-AWEZNQCLSA-N -1 3 396.456 3.092 20 0 GGADHM CC[C@@H]1CCC[C@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472325068 567019157 /nfs/dbraw/zinc/01/91/57/567019157.db2.gz HNNZCKFQSISEDT-QMTHXVAHSA-N -1 3 378.416 3.385 20 0 GGADHM Cc1nc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)sc1Br ZINC000452808025 567019148 /nfs/dbraw/zinc/01/91/48/567019148.db2.gz GXGUYRZLFPTMJD-UHFFFAOYSA-N -1 3 399.314 3.246 20 0 GGADHM CSC[C@@H]1CCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472345708 567020324 /nfs/dbraw/zinc/02/03/24/567020324.db2.gz FKTGNIRADPZUAU-ZDUSSCGKSA-N -1 3 396.456 3.045 20 0 GGADHM CC(C)N(CC(F)F)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472343672 567020969 /nfs/dbraw/zinc/02/09/69/567020969.db2.gz SFSSKTIEQGPLFI-UHFFFAOYSA-N -1 3 388.358 3.193 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000584201270 567021033 /nfs/dbraw/zinc/02/10/33/567021033.db2.gz MFXNDUMHDLANEF-ZDUSSCGKSA-N -1 3 385.835 3.434 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@@H]1CCCOCC1 ZINC000584208480 567022040 /nfs/dbraw/zinc/02/20/40/567022040.db2.gz LHGLLGWQSZNVSM-SNVBAGLBSA-N -1 3 382.233 3.155 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000657134547 567022439 /nfs/dbraw/zinc/02/24/39/567022439.db2.gz OIFFDSKSOBZZHK-ZDUSSCGKSA-N -1 3 393.933 3.237 20 0 GGADHM C[C@](CO)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccccc1 ZINC000682001969 567022428 /nfs/dbraw/zinc/02/24/28/567022428.db2.gz TTXLQUMKHVQLCU-OAHLLOKOSA-N -1 3 377.359 3.031 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F ZINC000584211156 567022762 /nfs/dbraw/zinc/02/27/62/567022762.db2.gz PLAFIUNHIXASLE-ZANVPECISA-N -1 3 378.416 3.172 20 0 GGADHM COC[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000430585757 567023226 /nfs/dbraw/zinc/02/32/26/567023226.db2.gz RBAFVLUVVWLFQY-ZDUSSCGKSA-N -1 3 399.672 3.099 20 0 GGADHM COC[C@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CC1 ZINC000430585757 567023231 /nfs/dbraw/zinc/02/32/31/567023231.db2.gz RBAFVLUVVWLFQY-ZDUSSCGKSA-N -1 3 399.672 3.099 20 0 GGADHM CC(C)(F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000657141991 567023443 /nfs/dbraw/zinc/02/34/43/567023443.db2.gz ZGNLZWHYZHWAKT-LBPRGKRZSA-N -1 3 379.881 3.172 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)cs1 ZINC000452848232 567023710 /nfs/dbraw/zinc/02/37/10/567023710.db2.gz NSPUZSBGFCVQNJ-LBPRGKRZSA-N -1 3 380.311 3.389 20 0 GGADHM O=C(CCOc1cccc(I)c1)Nc1ccccc1[O-] ZINC000494809688 567024084 /nfs/dbraw/zinc/02/40/84/567024084.db2.gz GOYIAUVWCVFWIX-UHFFFAOYSA-N -1 3 383.185 3.404 20 0 GGADHM Cc1ncc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)s1 ZINC000472410473 567024599 /nfs/dbraw/zinc/02/45/99/567024599.db2.gz JFGVCFWMOUZFTG-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM Cc1c[nH]c(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])n1 ZINC000430605800 567025160 /nfs/dbraw/zinc/02/51/60/567025160.db2.gz UIYGFTMQJWZJPO-UHFFFAOYSA-N -1 3 381.617 3.228 20 0 GGADHM COCc1csc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000657152294 567025228 /nfs/dbraw/zinc/02/52/28/567025228.db2.gz PJWXOXNFRJMMHU-UHFFFAOYSA-N -1 3 399.387 3.411 20 0 GGADHM COCc1csc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)c1 ZINC000657151951 567025388 /nfs/dbraw/zinc/02/53/88/567025388.db2.gz DWFIAZMPHGAGRN-UHFFFAOYSA-N -1 3 381.397 3.114 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2(c3ccccc3)CCC2)no1)c1cccs1 ZINC000545179608 567025867 /nfs/dbraw/zinc/02/58/67/567025867.db2.gz AJMFQBCPXJFXCO-UHFFFAOYSA-N -1 3 375.475 3.080 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]c2ccc(SCCN3CCCCC3)cc2)c[nH]1 ZINC000564969722 567025871 /nfs/dbraw/zinc/02/58/71/567025871.db2.gz CVXXIAZAIXAWTG-UHFFFAOYSA-N -1 3 380.539 3.097 20 0 GGADHM CCN=c1[n-]c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cs1 ZINC000494838960 567028904 /nfs/dbraw/zinc/02/89/04/567028904.db2.gz VEVFIOVJJAVKFV-UHFFFAOYSA-N -1 3 378.548 3.463 20 0 GGADHM CCCOc1ccc(C(=O)N=c2[n-]n(C)cc2Br)c(OCCC)c1 ZINC000565008578 567028910 /nfs/dbraw/zinc/02/89/10/567028910.db2.gz VLLHUZQJBFUXNV-UHFFFAOYSA-N -1 3 396.285 3.434 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000584282500 567029192 /nfs/dbraw/zinc/02/91/92/567029192.db2.gz UVCOKCVSSCYAQK-BZNIZROVSA-N -1 3 385.844 3.308 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)s1 ZINC000682084790 567029381 /nfs/dbraw/zinc/02/93/81/567029381.db2.gz REGNGJUNAHJCNJ-KOLCDFICSA-N -1 3 386.461 3.201 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)s1 ZINC000682084792 567029658 /nfs/dbraw/zinc/02/96/58/567029658.db2.gz REGNGJUNAHJCNJ-ONGXEEELSA-N -1 3 386.461 3.201 20 0 GGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472491939 567029848 /nfs/dbraw/zinc/02/98/48/567029848.db2.gz BHNLEYYGYAFAAH-HZMBPMFUSA-N -1 3 378.416 3.480 20 0 GGADHM CC(C)(C)[C@@H]1CCc2nc([N-]C(=O)c3sccc3S(N)(=O)=O)sc2C1 ZINC000613316376 567029987 /nfs/dbraw/zinc/02/99/87/567029987.db2.gz DBBBRCUYLKOTQR-SECBINFHSA-N -1 3 399.563 3.255 20 0 GGADHM CCOC(=O)C[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc(Br)c1 ZINC000472493368 567030106 /nfs/dbraw/zinc/03/01/06/567030106.db2.gz DRLMPUODFSEYQP-NSHDSACASA-N -1 3 399.266 3.036 20 0 GGADHM CCN=c1[n-]c(C(=O)N(C)Cc2cc(OC)ccc2Br)cs1 ZINC000430709835 567030577 /nfs/dbraw/zinc/03/05/77/567030577.db2.gz ZNMPNQDLBIKUCP-UHFFFAOYSA-N -1 3 384.299 3.040 20 0 GGADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)c(C)c1 ZINC000520895885 567030742 /nfs/dbraw/zinc/03/07/42/567030742.db2.gz ZMRMDIZVIBPAFC-ZDUSSCGKSA-N -1 3 383.311 3.370 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1C ZINC000545219792 567030834 /nfs/dbraw/zinc/03/08/34/567030834.db2.gz RFROZXCJCVZIMR-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CN1c1ccccc1Cl ZINC000520895680 567031049 /nfs/dbraw/zinc/03/10/49/567031049.db2.gz QISNLFYSFUVFCU-VIFPVBQESA-N -1 3 391.301 3.139 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000545219152 567031237 /nfs/dbraw/zinc/03/12/37/567031237.db2.gz VSKWZJIXNMYJSR-HZPDHXFCSA-N -1 3 394.320 3.486 20 0 GGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)o1 ZINC000613349910 567032750 /nfs/dbraw/zinc/03/27/50/567032750.db2.gz UIRHLWOEDDMNOB-UHFFFAOYSA-N -1 3 389.882 3.310 20 0 GGADHM Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000584346000 567034076 /nfs/dbraw/zinc/03/40/76/567034076.db2.gz OAEXLBBFJFXSFD-OAHLLOKOSA-N -1 3 380.282 3.301 20 0 GGADHM Cc1cc(C)cc(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000584346000 567034080 /nfs/dbraw/zinc/03/40/80/567034080.db2.gz OAEXLBBFJFXSFD-OAHLLOKOSA-N -1 3 380.282 3.301 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCN1Cc1ccccc1 ZINC000520982867 567034426 /nfs/dbraw/zinc/03/44/26/567034426.db2.gz MJQCYUYTIYVILH-INIZCTEOSA-N -1 3 399.299 3.073 20 0 GGADHM CS(=O)(=O)c1ccc(OCCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000521033473 567035705 /nfs/dbraw/zinc/03/57/05/567035705.db2.gz ZTUBLUOPNBLKKE-UHFFFAOYSA-N -1 3 383.853 3.247 20 0 GGADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472574438 567036451 /nfs/dbraw/zinc/03/64/51/567036451.db2.gz OZKNJCVACCMCFL-QMTHXVAHSA-N -1 3 378.416 3.338 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000584389605 567038407 /nfs/dbraw/zinc/03/84/07/567038407.db2.gz AOMWOGJBFVMQCW-UHFFFAOYSA-N -1 3 379.459 3.110 20 0 GGADHM O=C(NCc1cc(Br)ccc1Br)c1csc(=O)[n-]1 ZINC000472581909 567038552 /nfs/dbraw/zinc/03/85/52/567038552.db2.gz IDXCONVPDOIYQD-UHFFFAOYSA-N -1 3 392.072 3.304 20 0 GGADHM CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1csc(=O)[n-]1 ZINC000472591841 567040506 /nfs/dbraw/zinc/04/05/06/567040506.db2.gz KQGCDHXCOVSBGJ-ZDUSSCGKSA-N -1 3 399.310 3.379 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000565108068 567040857 /nfs/dbraw/zinc/04/08/57/567040857.db2.gz YWQFCAFCDHPOHX-MRXNPFEDSA-N -1 3 394.265 3.019 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000584419685 567041691 /nfs/dbraw/zinc/04/16/91/567041691.db2.gz 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ZINC000472701819 567046574 /nfs/dbraw/zinc/04/65/74/567046574.db2.gz WGIOGLHTMUKNPH-LBPRGKRZSA-N -1 3 385.532 3.302 20 0 GGADHM C[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1ccc(Br)cc1 ZINC000565191910 567046751 /nfs/dbraw/zinc/04/67/51/567046751.db2.gz XIJURQHZSGQRAI-SNVBAGLBSA-N -1 3 392.253 3.019 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CSc2ccc(C)cc2)oc1C ZINC000472700160 567046661 /nfs/dbraw/zinc/04/66/61/567046661.db2.gz CTWGUPDOEUKQSE-LBPRGKRZSA-N -1 3 383.491 3.142 20 0 GGADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1ccc(Br)o1 ZINC000545389120 567047155 /nfs/dbraw/zinc/04/71/55/567047155.db2.gz RTQLUKDBIRCGIY-CQSZACIVSA-N -1 3 399.310 3.158 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000472744412 567047498 /nfs/dbraw/zinc/04/74/98/567047498.db2.gz BUVZLWGNXALPSL-BETUJISGSA-N -1 3 395.352 3.161 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CSc2ccc(C)cc2)s1 ZINC000472706872 567047765 /nfs/dbraw/zinc/04/77/65/567047765.db2.gz KBJVPHMKXFITNE-GFCCVEGCSA-N -1 3 385.532 3.302 20 0 GGADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000682471374 567047772 /nfs/dbraw/zinc/04/77/72/567047772.db2.gz FPSBFRNAMJSTSP-UHFFFAOYSA-N -1 3 383.555 3.421 20 0 GGADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000682471374 567047776 /nfs/dbraw/zinc/04/77/76/567047776.db2.gz FPSBFRNAMJSTSP-UHFFFAOYSA-N -1 3 383.555 3.421 20 0 GGADHM C[C@H]1CN(CCCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000472744422 567048072 /nfs/dbraw/zinc/04/80/72/567048072.db2.gz BUVZLWGNXALPSL-STQMWFEESA-N -1 3 395.352 3.161 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000495131200 567048191 /nfs/dbraw/zinc/04/81/91/567048191.db2.gz YATOGLKQKMDWLZ-GOSISDBHSA-N -1 3 380.535 3.272 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000565216366 567048458 /nfs/dbraw/zinc/04/84/58/567048458.db2.gz XDLQXKNKTSHWDL-UHFFFAOYSA-N -1 3 390.281 3.195 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)ncn1 ZINC000682485582 567049476 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GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000521288131 567051965 /nfs/dbraw/zinc/05/19/65/567051965.db2.gz NYBDEFNZZTXXJX-CHWSQXEVSA-N -1 3 396.559 3.332 20 0 GGADHM Cc1cc(OC[C@@H](O)CN2CCSC[C@H]2C(=O)[O-])c(C(C)C)cc1Cl ZINC000565252739 567052680 /nfs/dbraw/zinc/05/26/80/567052680.db2.gz CXOUUSSSJSDFIX-BBRMVZONSA-N -1 3 387.929 3.014 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cscc2Cl)ccc1OC ZINC000634665697 567052698 /nfs/dbraw/zinc/05/26/98/567052698.db2.gz UQMMXQYYPBWBNW-UHFFFAOYSA-N -1 3 388.898 3.237 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000584541166 567052923 /nfs/dbraw/zinc/05/29/23/567052923.db2.gz XWUXDGLYXGCYRW-VIFPVBQESA-N -1 3 398.319 3.018 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)c1ccc(Cl)cc1 ZINC000545465439 567053931 /nfs/dbraw/zinc/05/39/31/567053931.db2.gz QFMFDEPVRDSGNN-KRWDZBQOSA-N -1 3 380.853 3.288 20 0 GGADHM O=c1[n-]c(SC[C@@H](O)COCC(F)(F)F)nc2sc3c(c21)CCCC3 ZINC000431088405 567054173 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CCCCNC(=O)[C@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000545547425 567061785 /nfs/dbraw/zinc/06/17/85/567061785.db2.gz DLZBHRVRNVQXTH-AWEZNQCLSA-N -1 3 399.329 3.292 20 0 GGADHM Cc1ncc(CN[C@@H](C)c2ccc(F)c(I)c2)c(=O)[n-]1 ZINC000453190298 567062091 /nfs/dbraw/zinc/06/20/91/567062091.db2.gz FODMUENNRQJJRY-QMMMGPOBSA-N -1 3 387.196 3.085 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565374311 567062396 /nfs/dbraw/zinc/06/23/96/567062396.db2.gz VANFLTALMJFKTJ-UHFFFAOYSA-N -1 3 378.226 3.391 20 0 GGADHM CCOC(=O)CC1CCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000545561252 567062649 /nfs/dbraw/zinc/06/26/49/567062649.db2.gz JHHKDCZBSMFBRR-UHFFFAOYSA-N -1 3 386.286 3.329 20 0 GGADHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C2 ZINC000521519327 567063044 /nfs/dbraw/zinc/06/30/44/567063044.db2.gz QZZUOVSVWGTAGD-NSHDSACASA-N -1 3 388.308 3.101 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2Cl)cc1 ZINC000431179928 567063138 /nfs/dbraw/zinc/06/31/38/567063138.db2.gz IGRFUVCYHWZQEI-UHFFFAOYSA-N -1 3 383.853 3.116 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC000545576553 567063732 /nfs/dbraw/zinc/06/37/32/567063732.db2.gz CPAJHFSATOHTOS-UHFFFAOYSA-N -1 3 381.351 3.114 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccnn1C ZINC000682617671 567063942 /nfs/dbraw/zinc/06/39/42/567063942.db2.gz OHIFRJFDVZLZOI-NSHDSACASA-N -1 3 376.309 3.445 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnn1C ZINC000682617786 567064021 /nfs/dbraw/zinc/06/40/21/567064021.db2.gz PDCGKSLHVXMIDW-GFCCVEGCSA-N -1 3 376.309 3.445 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccnn1C ZINC000682618386 567064060 /nfs/dbraw/zinc/06/40/60/567064060.db2.gz ZPTRJCVDXGKVNW-LBPRGKRZSA-N -1 3 375.416 3.157 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccnn1C ZINC000682617798 567064274 /nfs/dbraw/zinc/06/42/74/567064274.db2.gz PHMOSWWQTAVBBM-LBPRGKRZSA-N -1 3 376.309 3.445 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccnn1C ZINC000682617797 567064484 /nfs/dbraw/zinc/06/44/84/567064484.db2.gz PHMOSWWQTAVBBM-GFCCVEGCSA-N -1 3 376.309 3.445 20 0 GGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccncc1 ZINC000453220866 567064595 /nfs/dbraw/zinc/06/45/95/567064595.db2.gz XIZHUTUPYPCNGW-CQSZACIVSA-N -1 3 388.320 3.408 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1 ZINC000545590060 567064815 /nfs/dbraw/zinc/06/48/15/567064815.db2.gz FSXOXKFURZPCPZ-UHFFFAOYSA-N -1 3 379.825 3.341 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C1(C(F)F)CCCC1 ZINC000565415603 567065202 /nfs/dbraw/zinc/06/52/02/567065202.db2.gz MSULAGFNVWAUCL-UHFFFAOYSA-N -1 3 390.150 3.394 20 0 GGADHM CC(C)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccnn1C ZINC000682635486 567065261 /nfs/dbraw/zinc/06/52/61/567065261.db2.gz PUZWJQSMXLPZFU-CYBMUJFWSA-N -1 3 395.301 3.127 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584730739 567065262 /nfs/dbraw/zinc/06/52/62/567065262.db2.gz UPVVKTKNNDMSNL-SECBINFHSA-N -1 3 394.244 3.322 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)CO ZINC000584748502 567067070 /nfs/dbraw/zinc/06/70/70/567067070.db2.gz XRPWBLLUDBAWSF-QGZVFWFLSA-N -1 3 383.897 3.387 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000565444447 567069130 /nfs/dbraw/zinc/06/91/30/567069130.db2.gz PQNXJLNYTMLEFJ-UHFFFAOYSA-N -1 3 391.873 3.464 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)COc2c(C)cccc2C)sc1Cl ZINC000682726090 567069504 /nfs/dbraw/zinc/06/95/04/567069504.db2.gz RDGPUZFPHBUVKM-CYBMUJFWSA-N -1 3 389.926 3.045 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000565473782 567070333 /nfs/dbraw/zinc/07/03/33/567070333.db2.gz GGUUAMCNHWVRKT-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM C[C@@H]1CC[C@H](N(C)C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000473237409 567070817 /nfs/dbraw/zinc/07/08/17/567070817.db2.gz VXMSJNLMNAXKHD-YGRLFVJLSA-N -1 3 378.416 3.338 20 0 GGADHM COCC1(C(=O)[O-])CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000584787268 567070838 /nfs/dbraw/zinc/07/08/38/567070838.db2.gz SPCGKPUBGKGUKJ-UHFFFAOYSA-N -1 3 393.281 3.311 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCN1Cc1ccccc1 ZINC000521641346 567071253 /nfs/dbraw/zinc/07/12/53/567071253.db2.gz IXGYGOZAKYZKQM-CQSZACIVSA-N -1 3 399.299 3.073 20 0 GGADHM CC[C@]([N-]S(=O)(=O)Cc1cccc(Cl)c1)(C(=O)OC)c1ccccc1 ZINC000584802150 567071793 /nfs/dbraw/zinc/07/17/93/567071793.db2.gz OYPOVOITSQYJHT-GOSISDBHSA-N -1 3 381.881 3.238 20 0 GGADHM COc1ccc(CNCc2c(OC)cccc2OC)c(Br)c1[O-] ZINC000657587504 567072949 /nfs/dbraw/zinc/07/29/49/567072949.db2.gz WPTZFSRFGADYCE-UHFFFAOYSA-N -1 3 382.254 3.470 20 0 GGADHM CCCNC(=O)C1([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCCCC1 ZINC000431306978 567073098 /nfs/dbraw/zinc/07/30/98/567073098.db2.gz HNEFRGLYWSIHJV-UHFFFAOYSA-N -1 3 390.908 3.128 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000431312720 567073746 /nfs/dbraw/zinc/07/37/46/567073746.db2.gz JZXGLKKQUDUQGI-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM COCCNC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1Cl ZINC000431334922 567075215 /nfs/dbraw/zinc/07/52/15/567075215.db2.gz UFIAHVPAIUDDSW-UHFFFAOYSA-N -1 3 383.231 3.328 20 0 GGADHM Cc1csc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)n1 ZINC000545797339 567077250 /nfs/dbraw/zinc/07/72/50/567077250.db2.gz PBVKFPYSTDBJPW-SECBINFHSA-N -1 3 384.870 3.194 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1cc(Br)ccc1F ZINC000565561241 567077518 /nfs/dbraw/zinc/07/75/18/567077518.db2.gz KIHJQDSBZQIDAB-SNVBAGLBSA-N -1 3 386.242 3.043 20 0 GGADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2csc(NC3CC3)n2)s1 ZINC000473414833 567077963 /nfs/dbraw/zinc/07/79/63/567077963.db2.gz ZJPPDHJGCMJTBM-UHFFFAOYSA-N -1 3 375.454 3.358 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1cc(Br)ccc1F ZINC000565561236 567078287 /nfs/dbraw/zinc/07/82/87/567078287.db2.gz KIHJQDSBZQIDAB-JTQLQIEISA-N -1 3 386.242 3.043 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc2ccc(Br)cc2n1C ZINC000565550543 567078313 /nfs/dbraw/zinc/07/83/13/567078313.db2.gz RGTFADOWQCWLBR-MDZLAQPJSA-N -1 3 380.286 3.409 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)s1 ZINC000521772162 567078970 /nfs/dbraw/zinc/07/89/70/567078970.db2.gz DZSYWHLTVAWXFH-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000545827441 567079872 /nfs/dbraw/zinc/07/98/72/567079872.db2.gz IZOXAIOJPFZHBE-UHFFFAOYSA-N -1 3 377.796 3.444 20 0 GGADHM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000565571678 567079880 /nfs/dbraw/zinc/07/98/80/567079880.db2.gz QTGHENYMHASLBL-UHFFFAOYSA-N -1 3 384.177 3.133 20 0 GGADHM CCC1(CC)CCC(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CC1 ZINC000473445221 567081107 /nfs/dbraw/zinc/08/11/07/567081107.db2.gz XHTAZFIYOMFQGD-UHFFFAOYSA-N -1 3 387.571 3.204 20 0 GGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000682900316 567081087 /nfs/dbraw/zinc/08/10/87/567081087.db2.gz ZNDLXZVVTHRNPX-UHFFFAOYSA-N -1 3 393.665 3.476 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000565592273 567081337 /nfs/dbraw/zinc/08/13/37/567081337.db2.gz OBICBOBJBRVOPE-AAEUAGOBSA-N -1 3 381.828 3.177 20 0 GGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000565586454 567081770 /nfs/dbraw/zinc/08/17/70/567081770.db2.gz MTASLVGXIWKWCQ-HNNXBMFYSA-N -1 3 392.830 3.339 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)c2cccs2)c1OC ZINC000585734693 567084329 /nfs/dbraw/zinc/08/43/29/567084329.db2.gz SSNSYLBCJNRYBC-SECBINFHSA-N -1 3 389.882 3.236 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c1OC ZINC000585739679 567084616 /nfs/dbraw/zinc/08/46/16/567084616.db2.gz XLNLIGSDEWQNNP-SECBINFHSA-N -1 3 389.882 3.236 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC2CC2)c(Br)c1 ZINC000497212088 567084541 /nfs/dbraw/zinc/08/45/41/567084541.db2.gz BKCSOPRKUOCNFJ-JTQLQIEISA-N -1 3 390.299 3.093 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000545890515 567085681 /nfs/dbraw/zinc/08/56/81/567085681.db2.gz LTSYLCQBKWTZSX-ZBFHGGJFSA-N -1 3 379.551 3.037 20 0 GGADHM C[C@H]1CN(Cc2csc(NC(=O)c3cc([O-])ccc3Cl)n2)C[C@H](C)O1 ZINC000431510898 567086764 /nfs/dbraw/zinc/08/67/64/567086764.db2.gz IQVZCPDWXXYBMR-QWRGUYRKSA-N -1 3 381.885 3.364 20 0 GGADHM COc1ccccc1C1(C(=O)N=c2[n-]n(C)cc2Br)CCCCC1 ZINC000565658279 567088377 /nfs/dbraw/zinc/08/83/77/567088377.db2.gz FTOKKERZADXWEQ-UHFFFAOYSA-N -1 3 392.297 3.454 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CCc2cscn2)c(F)cc1F ZINC000521970357 567090323 /nfs/dbraw/zinc/09/03/23/567090323.db2.gz DZTLGKKZMKHGIC-UHFFFAOYSA-N -1 3 389.449 3.144 20 0 GGADHM Cc1cc(Br)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000453564088 567090584 /nfs/dbraw/zinc/09/05/84/567090584.db2.gz NHTPYNPOGPYYHL-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)s1 ZINC000585808517 567091424 /nfs/dbraw/zinc/09/14/24/567091424.db2.gz VADRTORVBZXDJO-SECBINFHSA-N -1 3 390.889 3.216 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000431577955 567092132 /nfs/dbraw/zinc/09/21/32/567092132.db2.gz JBTQBRLIFUAFOM-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000522020532 567093855 /nfs/dbraw/zinc/09/38/55/567093855.db2.gz IQDJDDFQWXJKHQ-UHFFFAOYSA-N -1 3 391.269 3.365 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCc1ncccc1[O-] ZINC000473636492 567093908 /nfs/dbraw/zinc/09/39/08/567093908.db2.gz QIZOLDNBVUOEQK-MRXNPFEDSA-N -1 3 379.254 3.270 20 0 GGADHM CC(C)(C)Nc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000545991416 567093941 /nfs/dbraw/zinc/09/39/41/567093941.db2.gz IFXRUZNGBUPDLX-UHFFFAOYSA-N -1 3 381.523 3.266 20 0 GGADHM CCNC(=O)C1(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCC1 ZINC000683075577 567094739 /nfs/dbraw/zinc/09/47/39/567094739.db2.gz OJWVPUICAMZPMP-UHFFFAOYSA-N -1 3 393.336 3.195 20 0 GGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000586759181 567094641 /nfs/dbraw/zinc/09/46/41/567094641.db2.gz DDVLQWGJNRSYPE-UHFFFAOYSA-N -1 3 399.818 3.369 20 0 GGADHM COc1ccc(CNC[C@@H](O)[C@@H](C)c2ccccc2)c(Br)c1[O-] ZINC000657795257 567095966 /nfs/dbraw/zinc/09/59/66/567095966.db2.gz FBGOJHDSCJLFKM-SWLSCSKDSA-N -1 3 380.282 3.418 20 0 GGADHM Cc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc(C(F)(F)F)c1 ZINC000683120898 567096186 /nfs/dbraw/zinc/09/61/86/567096186.db2.gz REPVAAJWYJMMRT-JTQLQIEISA-N -1 3 392.424 3.381 20 0 GGADHM COc1ccc(CN[C@H](CO)c2ccc(F)cc2F)c(Br)c1[O-] ZINC000657794310 567097146 /nfs/dbraw/zinc/09/71/46/567097146.db2.gz XFEIYRKCEXJLGI-CYBMUJFWSA-N -1 3 388.208 3.265 20 0 GGADHM CCn1c(NC(=O)c2ccc(C(=O)OC)[n-]2)nc2ccc(Br)cc21 ZINC000497431098 567097099 /nfs/dbraw/zinc/09/70/99/567097099.db2.gz RXFQUXJIDSDKQC-UHFFFAOYSA-N -1 3 391.225 3.186 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc(F)c(Br)c(Cl)c2)[n-]1 ZINC000586811769 567097453 /nfs/dbraw/zinc/09/74/53/567097453.db2.gz IUFSISNDSCPFGF-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2cc(F)c(Br)c(Cl)c2)c[n-]1 ZINC000586811769 567097457 /nfs/dbraw/zinc/09/74/57/567097457.db2.gz IUFSISNDSCPFGF-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000431634057 567097798 /nfs/dbraw/zinc/09/77/98/567097798.db2.gz LSXFVRQGBMEKDV-ZDUSSCGKSA-N -1 3 382.913 3.324 20 0 GGADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCCc1ccncc1 ZINC000565780701 567098242 /nfs/dbraw/zinc/09/82/42/567098242.db2.gz HHYFJVKXDDPJNI-KRWDZBQOSA-N -1 3 375.266 3.288 20 0 GGADHM CN(CCc1ccncc1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522153334 567101323 /nfs/dbraw/zinc/10/13/23/567101323.db2.gz VWAKNHCCRVRHKF-UHFFFAOYSA-N -1 3 386.249 3.000 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NS(=O)(=O)c1ccc(Cl)s1 ZINC000565806494 567101626 /nfs/dbraw/zinc/10/16/26/567101626.db2.gz GPGSATFNLRYJBX-UHFFFAOYSA-N -1 3 389.289 3.073 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(Cc1ccccn1)C1CC1 ZINC000522148952 567102173 /nfs/dbraw/zinc/10/21/73/567102173.db2.gz KQGFCEHQQTXGCM-UHFFFAOYSA-N -1 3 398.260 3.490 20 0 GGADHM CCCn1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000683184590 567102485 /nfs/dbraw/zinc/10/24/85/567102485.db2.gz ACDBJYGCPJBJCY-UHFFFAOYSA-N -1 3 375.263 3.278 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)F)c1 ZINC000497521587 567102729 /nfs/dbraw/zinc/10/27/29/567102729.db2.gz KNVBDZRBPDMOEK-ZBFHGGJFSA-N -1 3 389.851 3.164 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1 ZINC000497521586 567102917 /nfs/dbraw/zinc/10/29/17/567102917.db2.gz KNVBDZRBPDMOEK-HOCLYGCPSA-N -1 3 389.851 3.164 20 0 GGADHM CC(C)OCc1ccccc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546092819 567102961 /nfs/dbraw/zinc/10/29/61/567102961.db2.gz MFXDCGPJBVKQMZ-UHFFFAOYSA-N -1 3 388.283 3.446 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@]12CCCO2 ZINC000546075691 567103262 /nfs/dbraw/zinc/10/32/62/567103262.db2.gz NYLINEOBBVLZGL-ARFHVFGLSA-N -1 3 394.320 3.139 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2cccc3cc(Br)cnc32)on1 ZINC000586874733 567103299 /nfs/dbraw/zinc/10/32/99/567103299.db2.gz LXFMOGJQTVOEBA-UHFFFAOYSA-N -1 3 376.166 3.024 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@]12CCCO2 ZINC000546075693 567103528 /nfs/dbraw/zinc/10/35/28/567103528.db2.gz NYLINEOBBVLZGL-OAGGEKHMSA-N -1 3 394.320 3.139 20 0 GGADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C2CC2)cc1 ZINC000546094898 567105312 /nfs/dbraw/zinc/10/53/12/567105312.db2.gz VYEYGTAJYHUMIW-HNNXBMFYSA-N -1 3 386.267 3.480 20 0 GGADHM CCC1(CC)Oc2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc2O1 ZINC000565865360 567105856 /nfs/dbraw/zinc/10/58/56/567105856.db2.gz LFZOMRPXTDTQBL-UHFFFAOYSA-N -1 3 383.388 3.295 20 0 GGADHM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]2CCCC[C@H]12 ZINC000522214418 567107223 /nfs/dbraw/zinc/10/72/23/567107223.db2.gz NCRMSIPNFUEWTH-UPJWGTAASA-N -1 3 390.958 3.107 20 0 GGADHM COCCOc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000683232856 567107756 /nfs/dbraw/zinc/10/77/56/567107756.db2.gz DKACXGXKXZHKKN-UHFFFAOYSA-N -1 3 380.238 3.361 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)sc1Cl ZINC000473854822 567108338 /nfs/dbraw/zinc/10/83/38/567108338.db2.gz KWXBSKZJFLGSDE-NWDGAFQWSA-N -1 3 378.947 3.072 20 0 GGADHM O=C(N[C@@H]1CCSC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000473862394 567109808 /nfs/dbraw/zinc/10/98/08/567109808.db2.gz ZKBYAWCXOJHWQC-MRVPVSSYSA-N -1 3 387.686 3.179 20 0 GGADHM O=C(N[C@@H]1CCSC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000473862394 567109813 /nfs/dbraw/zinc/10/98/13/567109813.db2.gz ZKBYAWCXOJHWQC-MRVPVSSYSA-N -1 3 387.686 3.179 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)o1 ZINC000497549641 567109874 /nfs/dbraw/zinc/10/98/74/567109874.db2.gz CAMDUBMSUZLCIM-UHFFFAOYSA-N -1 3 384.385 3.337 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)oc1C ZINC000431833881 567110075 /nfs/dbraw/zinc/11/00/75/567110075.db2.gz UAZJPZILONGMAO-GWCFXTLKSA-N -1 3 387.816 3.002 20 0 GGADHM COc1cc(OC)cc(OCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000473860728 567109996 /nfs/dbraw/zinc/10/99/96/567109996.db2.gz HHAWJWVQXHVKPE-UHFFFAOYSA-N -1 3 391.898 3.084 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)oc1C ZINC000431832541 567110438 /nfs/dbraw/zinc/11/04/38/567110438.db2.gz PSUXBJRRZWDPKP-UHFFFAOYSA-N -1 3 383.853 3.038 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)oc1C ZINC000431833882 567110451 /nfs/dbraw/zinc/11/04/51/567110451.db2.gz UAZJPZILONGMAO-GXFFZTMASA-N -1 3 387.816 3.002 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)o1 ZINC000497567041 567111610 /nfs/dbraw/zinc/11/16/10/567111610.db2.gz DZWPTDHMEDWWEL-UHFFFAOYSA-N -1 3 381.303 3.016 20 0 GGADHM Cc1ncoc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000431857885 567111908 /nfs/dbraw/zinc/11/19/08/567111908.db2.gz MGYKUIJVZWCGFK-UHFFFAOYSA-N -1 3 381.617 3.463 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c2ccccc21 ZINC000546175225 567112971 /nfs/dbraw/zinc/11/29/71/567112971.db2.gz OQLAQAYORSRFAD-CQSZACIVSA-N -1 3 384.226 3.194 20 0 GGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000546176801 567113048 /nfs/dbraw/zinc/11/30/48/567113048.db2.gz HLMQSRQVWNTOTQ-VIFPVBQESA-N -1 3 384.807 3.234 20 0 GGADHM Cc1cc([C@H]2NC(=O)N(Cc3ccc([O-])c(Br)c3)C2=O)ccc1F ZINC000431869593 567113499 /nfs/dbraw/zinc/11/34/99/567113499.db2.gz KFYFCJAJQYZDSP-OAHLLOKOSA-N -1 3 393.212 3.395 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000522370754 567113728 /nfs/dbraw/zinc/11/37/28/567113728.db2.gz IQMFPBIACISTOU-CQSZACIVSA-N -1 3 380.897 3.296 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2csc([C@@H]3CCCO3)n2)c1[O-] ZINC000588096863 567114272 /nfs/dbraw/zinc/11/42/72/567114272.db2.gz OPRMAIBFDPMZAE-LBPRGKRZSA-N -1 3 382.825 3.393 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2cccc(F)c2)N(C)C)sc1Cl ZINC000473912400 567114548 /nfs/dbraw/zinc/11/45/48/567114548.db2.gz RZJQHXAYYTZMBZ-ZDUSSCGKSA-N -1 3 376.906 3.430 20 0 GGADHM COc1ccc(-n2ccc(C[N-]S(=O)(=O)c3cc(C)c(Cl)s3)n2)cc1 ZINC000473908192 567114656 /nfs/dbraw/zinc/11/46/56/567114656.db2.gz UYQQLTNFNDDTGR-UHFFFAOYSA-N -1 3 397.909 3.383 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1CCC(=O)C1 ZINC000565952768 567114770 /nfs/dbraw/zinc/11/47/70/567114770.db2.gz GTOQNUFMPKOQQB-MRVPVSSYSA-N -1 3 382.645 3.222 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1sccc1Br)C1CCCCC1 ZINC000473908331 567114806 /nfs/dbraw/zinc/11/48/06/567114806.db2.gz FMALRYJNXHEECJ-CYBMUJFWSA-N -1 3 395.388 3.299 20 0 GGADHM CCSc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000473910007 567114888 /nfs/dbraw/zinc/11/48/88/567114888.db2.gz DSJIVVGZVSIAHS-UHFFFAOYSA-N -1 3 385.898 3.007 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000473910007 567114891 /nfs/dbraw/zinc/11/48/91/567114891.db2.gz DSJIVVGZVSIAHS-UHFFFAOYSA-N -1 3 385.898 3.007 20 0 GGADHM O=C1N[C@@H](c2ccccc2F)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000683331609 567114870 /nfs/dbraw/zinc/11/48/70/567114870.db2.gz ZBCJEPLBSXTECT-AWEZNQCLSA-N -1 3 379.185 3.087 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc(F)c(F)c(F)c1 ZINC000431899988 567115091 /nfs/dbraw/zinc/11/50/91/567115091.db2.gz CVJCKFHRMHOGHC-LLVKDONJSA-N -1 3 390.814 3.315 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)c2ccc(F)c(F)c2)c1 ZINC000431902072 567115666 /nfs/dbraw/zinc/11/56/66/567115666.db2.gz IMFNPPZYOUBEQZ-UHFFFAOYSA-N -1 3 375.418 3.027 20 0 GGADHM COCCOc1c(Cl)cc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1Cl ZINC000497675065 567115972 /nfs/dbraw/zinc/11/59/72/567115972.db2.gz CLHWPOBGDWOBRK-UHFFFAOYSA-N -1 3 387.219 3.386 20 0 GGADHM COc1cc(NCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc(OC)c1 ZINC000473945069 567116867 /nfs/dbraw/zinc/11/68/67/567116867.db2.gz CNRIMNJAHJEFCL-UHFFFAOYSA-N -1 3 390.914 3.118 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2nc(-c3ccncc3)cs2)c1 ZINC000522506466 567117362 /nfs/dbraw/zinc/11/73/62/567117362.db2.gz SVSDPQFGCSDVOB-UHFFFAOYSA-N -1 3 377.466 3.174 20 0 GGADHM COc1ccc(CN2CCC(C)(c3nc(C)no3)CC2)c(Br)c1[O-] ZINC000546256205 567117557 /nfs/dbraw/zinc/11/75/57/567117557.db2.gz OLQLAPVYUIJFTA-UHFFFAOYSA-N -1 3 396.285 3.408 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CN2CCCCC2)cc1Cl ZINC000473937193 567117913 /nfs/dbraw/zinc/11/79/13/567117913.db2.gz BQRWBMBSYCIWRH-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cncc(Br)c1 ZINC000588170954 567118591 /nfs/dbraw/zinc/11/85/91/567118591.db2.gz OLHPZFPNTITSFW-HOTGVXAUSA-N -1 3 397.294 3.043 20 0 GGADHM COc1ccc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c(Br)c1[O-] ZINC000546257550 567118593 /nfs/dbraw/zinc/11/85/93/567118593.db2.gz YQDRQHAHJBXSDO-JTQLQIEISA-N -1 3 397.235 3.232 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@@H]2C)c1Cl ZINC000588171773 567119015 /nfs/dbraw/zinc/11/90/15/567119015.db2.gz TULUTTSKCIYVCD-RYUDHWBXSA-N -1 3 393.336 3.370 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@@H]2C)c1Cl ZINC000588171772 567119078 /nfs/dbraw/zinc/11/90/78/567119078.db2.gz TULUTTSKCIYVCD-NWDGAFQWSA-N -1 3 393.336 3.370 20 0 GGADHM O=S(=O)([N-]Cc1ccncc1OCC(F)(F)F)c1cc(F)ccc1Cl ZINC000546264805 567119614 /nfs/dbraw/zinc/11/96/14/567119614.db2.gz GSYLAAGELRBCDU-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1Br ZINC000473951730 567119750 /nfs/dbraw/zinc/11/97/50/567119750.db2.gz OZODPMWGPYYNRI-AWEZNQCLSA-N -1 3 391.313 3.007 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000473950877 567119907 /nfs/dbraw/zinc/11/99/07/567119907.db2.gz IXECNOZYBVEOFI-SSDOTTSWSA-N -1 3 381.260 3.414 20 0 GGADHM COc1ccc(CN2CCN([C@H](C)C(F)(F)F)CC2)c(Br)c1[O-] ZINC000546268862 567120325 /nfs/dbraw/zinc/12/03/25/567120325.db2.gz LQLATMSDPULGRO-SNVBAGLBSA-N -1 3 397.235 3.232 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000522619819 567120587 /nfs/dbraw/zinc/12/05/87/567120587.db2.gz BUWCEDZRBBNREY-CYBMUJFWSA-N -1 3 384.860 3.045 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000588230874 567121756 /nfs/dbraw/zinc/12/17/56/567121756.db2.gz ZRDFJNMRFWJPTO-GDBMZVCRSA-N -1 3 389.249 3.399 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc3[nH]ccc3c2)no1)c1ccc(Cl)s1 ZINC000546316490 567122059 /nfs/dbraw/zinc/12/20/59/567122059.db2.gz IDYXHSIYYCIACQ-UHFFFAOYSA-N -1 3 394.865 3.411 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)N1CCCC[C@@H]1C ZINC000614606024 567125017 /nfs/dbraw/zinc/12/50/17/567125017.db2.gz DHIVYQAQGWMQGD-NWDGAFQWSA-N -1 3 393.322 3.129 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000614601549 567125145 /nfs/dbraw/zinc/12/51/45/567125145.db2.gz JKZWKPQPVOTJRW-BETUJISGSA-N -1 3 395.352 3.079 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)CCc2ccco2)c1 ZINC000474028315 567125572 /nfs/dbraw/zinc/12/55/72/567125572.db2.gz DBTIFZXOWYISEM-LLVKDONJSA-N -1 3 388.283 3.350 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Br)c1)Cc1ccccc1 ZINC000522714108 567126107 /nfs/dbraw/zinc/12/61/07/567126107.db2.gz BNXZYKWHKRVEPZ-UHFFFAOYSA-N -1 3 383.311 3.391 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)N1CCCC[C@H]1C ZINC000614606026 567126224 /nfs/dbraw/zinc/12/62/24/567126224.db2.gz DHIVYQAQGWMQGD-VXGBXAGGSA-N -1 3 393.322 3.129 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Oc2cccc(Br)c2)n1 ZINC000636115371 567126537 /nfs/dbraw/zinc/12/65/37/567126537.db2.gz OHJUERQOILJLIF-NSHDSACASA-N -1 3 394.269 3.072 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(F)c(F)cc2Br)n1 ZINC000636110913 567126849 /nfs/dbraw/zinc/12/68/49/567126849.db2.gz ONUHLUBBYHKUQO-UHFFFAOYSA-N -1 3 386.196 3.196 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC000614614086 567126954 /nfs/dbraw/zinc/12/69/54/567126954.db2.gz PWNIYRBZVCKFLH-SECBINFHSA-N -1 3 391.242 3.156 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cc(Br)ccc2F)n1 ZINC000636111603 567127082 /nfs/dbraw/zinc/12/70/82/567127082.db2.gz TUPMNEGDOPUIQW-UHFFFAOYSA-N -1 3 396.260 3.376 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ncc(Cc3ccccc3F)s2)o1 ZINC000497825336 567127772 /nfs/dbraw/zinc/12/77/72/567127772.db2.gz BTKWQJWHVQTTIR-UHFFFAOYSA-N -1 3 380.422 3.122 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(-n3cncn3)c2)c1Cl ZINC000522753997 567128223 /nfs/dbraw/zinc/12/82/23/567128223.db2.gz IZBJLDKSSLYKDD-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c1 ZINC000474061128 567128732 /nfs/dbraw/zinc/12/87/32/567128732.db2.gz VTXMWCKGRRVXSE-OAHLLOKOSA-N -1 3 382.279 3.424 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c1 ZINC000474061126 567129019 /nfs/dbraw/zinc/12/90/19/567129019.db2.gz VTXMWCKGRRVXSE-HNNXBMFYSA-N -1 3 382.279 3.424 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000432072597 567129200 /nfs/dbraw/zinc/12/92/00/567129200.db2.gz AJRZFNFCDHROQG-UHFFFAOYSA-N -1 3 381.837 3.287 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)ccc1C ZINC000432070044 567129271 /nfs/dbraw/zinc/12/92/71/567129271.db2.gz UGYUYIYDYRJDET-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1cc(F)cc(F)c1 ZINC000614639485 567129951 /nfs/dbraw/zinc/12/99/51/567129951.db2.gz UHXIHOKDNSZISU-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000432077194 567130503 /nfs/dbraw/zinc/13/05/03/567130503.db2.gz NCPSXJNPGGVRKC-UHFFFAOYSA-N -1 3 379.821 3.041 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1Cl)c1ccco1 ZINC000522805314 567131435 /nfs/dbraw/zinc/13/14/35/567131435.db2.gz SIXJPKFEZOSKBE-GFCCVEGCSA-N -1 3 384.841 3.106 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1C ZINC000432095114 567131418 /nfs/dbraw/zinc/13/14/18/567131418.db2.gz WFWCHTVHJNETSM-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Br)c1)c1cccc(F)c1 ZINC000522799585 567131589 /nfs/dbraw/zinc/13/15/89/567131589.db2.gz DKSNXTJNJXRHHV-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000497932959 567132239 /nfs/dbraw/zinc/13/22/39/567132239.db2.gz AMOACFLZCKNEMR-GHMZBOCLSA-N -1 3 380.215 3.115 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@H](O)C(F)(F)F ZINC000497933082 567132281 /nfs/dbraw/zinc/13/22/81/567132281.db2.gz FLYDWMQIBGBECH-MNOVXSKESA-N -1 3 380.215 3.115 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000474102703 567133965 /nfs/dbraw/zinc/13/39/65/567133965.db2.gz AQPVLAMPLNNKHG-UHFFFAOYSA-N -1 3 390.221 3.387 20 0 GGADHM CCOc1cc(-c2noc(CCn3cc(Br)cn3)n2)ccc1[O-] ZINC000683589931 567135430 /nfs/dbraw/zinc/13/54/30/567135430.db2.gz SXPXIRDZPFRLTK-UHFFFAOYSA-N -1 3 379.214 3.043 20 0 GGADHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2cncc(Cl)c2)c2ccc(Cl)cc2)n1 ZINC000546540007 567135964 /nfs/dbraw/zinc/13/59/64/567135964.db2.gz ACMLMPMCELDIQR-INIZCTEOSA-N -1 3 397.287 3.190 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1ccc(Br)cn1 ZINC000522892010 567136431 /nfs/dbraw/zinc/13/64/31/567136431.db2.gz LEMSVZBBQZLOKL-CYBMUJFWSA-N -1 3 381.295 3.243 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000474131628 567138342 /nfs/dbraw/zinc/13/83/42/567138342.db2.gz KIJAAKQZNURVNF-BBRMVZONSA-N -1 3 396.306 3.367 20 0 GGADHM O=c1cc(-c2noc([C@@H]3C[C@]34CCc3cc(Br)ccc34)n2)nc[n-]1 ZINC000566217714 567138963 /nfs/dbraw/zinc/13/89/63/567138963.db2.gz VIXQPGHHSOQHHE-SJCJKPOMSA-N -1 3 385.221 3.366 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000497979152 567139340 /nfs/dbraw/zinc/13/93/40/567139340.db2.gz RCAOYMRGXASLFR-QWRGUYRKSA-N -1 3 380.215 3.282 20 0 GGADHM C[C@]1(c2ccc(CNCc3csc(Cl)c3Cl)cc2)NC(=O)[N-]C1=O ZINC000432236707 567139599 /nfs/dbraw/zinc/13/95/99/567139599.db2.gz WNCFYYZDWHEFCQ-MRXNPFEDSA-N -1 3 384.288 3.399 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000497979153 567139669 /nfs/dbraw/zinc/13/96/69/567139669.db2.gz RCAOYMRGXASLFR-WDEREUQCSA-N -1 3 380.215 3.282 20 0 GGADHM C[C@]1(c2ccc(NC(=O)CCc3cc(Cl)cs3)cc2)NC(=O)[N-]C1=O ZINC000522951921 567139700 /nfs/dbraw/zinc/13/97/00/567139700.db2.gz VIULLMBSYJGZQU-QGZVFWFLSA-N -1 3 377.853 3.027 20 0 GGADHM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000614783928 567140226 /nfs/dbraw/zinc/14/02/26/567140226.db2.gz URKOXAZCQMZVRY-UHFFFAOYSA-N -1 3 375.837 3.096 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1sccc1Br)N1CCCC[C@@H]1C ZINC000614799219 567140856 /nfs/dbraw/zinc/14/08/56/567140856.db2.gz HZFFFFFTGHJMBY-QWRGUYRKSA-N -1 3 381.361 3.052 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCc1cc(Cl)cs1 ZINC000614823662 567141181 /nfs/dbraw/zinc/14/11/81/567141181.db2.gz RJLDQZFCSBVJAN-MNOVXSKESA-N -1 3 381.885 3.214 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)s1 ZINC000546598518 567141869 /nfs/dbraw/zinc/14/18/69/567141869.db2.gz IPAMEECYLWDEAD-QAPCUYQASA-N -1 3 380.535 3.460 20 0 GGADHM Cc1c(Br)cccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319967 567142363 /nfs/dbraw/zinc/14/23/63/567142363.db2.gz ZRTAKYYZBVIINU-UHFFFAOYSA-N -1 3 376.254 3.451 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318664 567143629 /nfs/dbraw/zinc/14/36/29/567143629.db2.gz DEQCMMLWWYHLGE-UHFFFAOYSA-N -1 3 382.247 3.452 20 0 GGADHM CCC(CC)(CC)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000566270975 567143708 /nfs/dbraw/zinc/14/37/08/567143708.db2.gz SICRIVIXQBQNKV-UHFFFAOYSA-N -1 3 380.432 3.069 20 0 GGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc(F)c(Br)c1 ZINC000498021119 567144299 /nfs/dbraw/zinc/14/42/99/567144299.db2.gz AYGVFAVZTWVHAC-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)s1 ZINC000546634346 567144593 /nfs/dbraw/zinc/14/45/93/567144593.db2.gz STZYFDMGHICFJG-JSGCOSHPSA-N -1 3 394.356 3.303 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1ccccc1C(F)(F)F ZINC000432282279 567145165 /nfs/dbraw/zinc/14/51/65/567145165.db2.gz BMEGPVZCAYKFDJ-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM COc1ccc(SC)c(OC)c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636356148 567146242 /nfs/dbraw/zinc/14/62/42/567146242.db2.gz WGTXZMXSSRSSBX-SNVBAGLBSA-N -1 3 381.479 3.381 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2ocnc2C2CC2)c(Br)cc1F ZINC000588932484 567146744 /nfs/dbraw/zinc/14/67/44/567146744.db2.gz JSPNJUHPCSZPBJ-UHFFFAOYSA-N -1 3 383.173 3.493 20 0 GGADHM CSc1nc(C2CC2)nc(C)c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636351243 567146966 /nfs/dbraw/zinc/14/69/66/567146966.db2.gz DDYCFEWXKKERCD-SNVBAGLBSA-N -1 3 377.495 3.340 20 0 GGADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614921633 567146971 /nfs/dbraw/zinc/14/69/71/567146971.db2.gz HQKNTDVGTZIWGP-UHFFFAOYSA-N -1 3 376.869 3.158 20 0 GGADHM O=C(CSc1cccc2cccc(Cl)c21)NCCCc1cc(=O)[nH][n-]1 ZINC000614921598 567147156 /nfs/dbraw/zinc/14/71/56/567147156.db2.gz DDPLXRUPUXWEHD-UHFFFAOYSA-N -1 3 375.881 3.358 20 0 GGADHM O=C(CCCSc1ccc(Br)cc1)NCCCc1cc(=O)[nH][n-]1 ZINC000614920882 567147285 /nfs/dbraw/zinc/14/72/85/567147285.db2.gz IGFARFVSULRIQC-UHFFFAOYSA-N -1 3 398.326 3.094 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1ccc(F)cc1F ZINC000523240914 567147666 /nfs/dbraw/zinc/14/76/66/567147666.db2.gz ONLYEXKEWKEFPS-UHFFFAOYSA-N -1 3 381.429 3.004 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2scnc2COC)nc1C(F)(F)F ZINC000566309915 567148356 /nfs/dbraw/zinc/14/83/56/567148356.db2.gz XQHHNBXRVVCBSH-UHFFFAOYSA-N -1 3 395.384 3.194 20 0 GGADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000432307231 567148984 /nfs/dbraw/zinc/14/89/84/567148984.db2.gz LNQQMSLLCQIBKI-UHFFFAOYSA-N -1 3 391.331 3.106 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000546715406 567151352 /nfs/dbraw/zinc/15/13/52/567151352.db2.gz IFTSHIGDWDTBIC-GOEBONIOSA-N -1 3 378.519 3.169 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000546715407 567151492 /nfs/dbraw/zinc/15/14/92/567151492.db2.gz IFTSHIGDWDTBIC-HOCLYGCPSA-N -1 3 378.519 3.169 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000546715408 567151663 /nfs/dbraw/zinc/15/16/63/567151663.db2.gz IFTSHIGDWDTBIC-ZBFHGGJFSA-N -1 3 378.519 3.169 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000566357187 567152802 /nfs/dbraw/zinc/15/28/02/567152802.db2.gz JPMDBLGBPDHNNN-UHFFFAOYSA-N -1 3 385.869 3.483 20 0 GGADHM CO[C@@H](c1ccccc1)[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000683816696 567154799 /nfs/dbraw/zinc/15/47/99/567154799.db2.gz VVPCBGZONARFHD-MLGOLLRUSA-N -1 3 388.942 3.046 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n(C2CCN(C)CC2)n1 ZINC000432374831 567154844 /nfs/dbraw/zinc/15/48/44/567154844.db2.gz QFNWLTURVNGMPE-UHFFFAOYSA-N -1 3 382.917 3.221 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n(C2CCN(C)CC2)n1 ZINC000432371008 567155170 /nfs/dbraw/zinc/15/51/70/567155170.db2.gz XDPAJVQBIHWRHG-UHFFFAOYSA-N -1 3 386.880 3.052 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000498171213 567156400 /nfs/dbraw/zinc/15/64/00/567156400.db2.gz ARTZGLFCWOGWEM-GFCCVEGCSA-N -1 3 378.475 3.207 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(I)c1 ZINC000523424234 567157256 /nfs/dbraw/zinc/15/72/56/567157256.db2.gz GCZWRNUBHMLTBC-UHFFFAOYSA-N -1 3 377.178 3.127 20 0 GGADHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc(Br)o2)cc1F ZINC000546779094 567157760 /nfs/dbraw/zinc/15/77/60/567157760.db2.gz RSKNCBDMQZLWGD-UHFFFAOYSA-N -1 3 378.219 3.058 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000546780415 567158487 /nfs/dbraw/zinc/15/84/87/567158487.db2.gz DGUJPXURIIZPMT-VIFPVBQESA-N -1 3 397.913 3.034 20 0 GGADHM COc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1Br ZINC000474315364 567159226 /nfs/dbraw/zinc/15/92/26/567159226.db2.gz RUNUFKWWCFDPJO-UHFFFAOYSA-N -1 3 384.255 3.236 20 0 GGADHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000546781553 567159902 /nfs/dbraw/zinc/15/99/02/567159902.db2.gz PIJLCBKXUCUCBR-CHWSQXEVSA-N -1 3 375.899 3.027 20 0 GGADHM Cc1cc(Br)cn2cc(C[N-]S(=O)(=O)c3ccccc3F)nc12 ZINC000546782870 567160158 /nfs/dbraw/zinc/16/01/58/567160158.db2.gz BYBUSJVZEJVVSJ-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1ccc(Cl)cc1 ZINC000523524622 567160747 /nfs/dbraw/zinc/16/07/47/567160747.db2.gz WXKWCVWANVTNCY-LLVKDONJSA-N -1 3 391.301 3.139 20 0 GGADHM O=C(Cc1cncc([O-])c1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000566469878 567160891 /nfs/dbraw/zinc/16/08/91/567160891.db2.gz JOLVGQJNBTYKGM-UHFFFAOYSA-N -1 3 379.229 3.423 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c(Br)c1 ZINC000589149611 567161172 /nfs/dbraw/zinc/16/11/72/567161172.db2.gz STRGXZDIHMCGPZ-UHFFFAOYSA-N -1 3 398.238 3.103 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)s1 ZINC000523518468 567161224 /nfs/dbraw/zinc/16/12/24/567161224.db2.gz AXLZIKRZIAQXBL-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(Br)c1 ZINC000589149592 567161562 /nfs/dbraw/zinc/16/15/62/567161562.db2.gz RKQWQEGSWHHTDZ-UHFFFAOYSA-N -1 3 384.251 3.461 20 0 GGADHM C[C@H]1C[C@H]([N-]c2nc3cc(Cl)cc(Cl)c3o2)C(=O)N1c1cnn(C)c1 ZINC000683932815 567161907 /nfs/dbraw/zinc/16/19/07/567161907.db2.gz MNHLIZHBWRHKSR-SDBXPKJASA-N -1 3 380.235 3.474 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(Cl)c2)cn1C ZINC000589167163 567162341 /nfs/dbraw/zinc/16/23/41/567162341.db2.gz ROGHDIFLYVNONH-GOSISDBHSA-N -1 3 375.881 3.450 20 0 GGADHM CCc1cccc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c1[O-] ZINC000615128650 567162494 /nfs/dbraw/zinc/16/24/94/567162494.db2.gz YUZATTLCHYVNQY-CQSZACIVSA-N -1 3 391.265 3.406 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(Cl)c2)cn1C ZINC000589167164 567162813 /nfs/dbraw/zinc/16/28/13/567162813.db2.gz ROGHDIFLYVNONH-SFHVURJKSA-N -1 3 375.881 3.450 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474372073 567163596 /nfs/dbraw/zinc/16/35/96/567163596.db2.gz FLJDJKDAUQESDF-GFCCVEGCSA-N -1 3 390.292 3.155 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)s1 ZINC000474370465 567163659 /nfs/dbraw/zinc/16/36/59/567163659.db2.gz CLTDKZRBNIQFDR-LLVKDONJSA-N -1 3 392.333 3.316 20 0 GGADHM CCc1cc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)ccc1[O-] ZINC000615129928 567163961 /nfs/dbraw/zinc/16/39/61/567163961.db2.gz VNVXYYRZCVRXGE-OAHLLOKOSA-N -1 3 391.265 3.406 20 0 GGADHM O=S(=O)([N-]CCOC(F)(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC000474371703 567164059 /nfs/dbraw/zinc/16/40/59/567164059.db2.gz CNNCOASACRLJEF-UHFFFAOYSA-N -1 3 387.807 3.334 20 0 GGADHM CCOC(=O)c1ccc(CNCc2ccc(OC)c([O-])c2Br)o1 ZINC000589197600 567164632 /nfs/dbraw/zinc/16/46/32/567164632.db2.gz MNHDAQCCQNXKDT-UHFFFAOYSA-N -1 3 384.226 3.223 20 0 GGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474375939 567165368 /nfs/dbraw/zinc/16/53/68/567165368.db2.gz LVMHTVNFZZAFOE-MFKMUULPSA-N -1 3 379.309 3.064 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)C2CCCCC2)CCN1c1ccc(Cl)cc1Cl ZINC000474380020 567165394 /nfs/dbraw/zinc/16/53/94/567165394.db2.gz WOKDOQSNBCCJJQ-AWEZNQCLSA-N -1 3 391.320 3.351 20 0 GGADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000474389700 567166397 /nfs/dbraw/zinc/16/63/97/567166397.db2.gz ORVLZRPNXLVGLY-UHFFFAOYSA-N -1 3 397.250 3.077 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cn1C ZINC000546860109 567166416 /nfs/dbraw/zinc/16/64/16/567166416.db2.gz AHRITQIAXZNSGB-UHFFFAOYSA-N -1 3 377.249 3.309 20 0 GGADHM O=S(=O)([N-]C1(C(F)(F)F)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000546876645 567166439 /nfs/dbraw/zinc/16/64/39/567166439.db2.gz DTRRBOUCDCXDEI-UHFFFAOYSA-N -1 3 377.306 3.391 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(C)C ZINC000474385597 567166877 /nfs/dbraw/zinc/16/68/77/567166877.db2.gz UFQFHZJRGWRHQU-ZDUSSCGKSA-N -1 3 385.507 3.027 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)OC ZINC000546888711 567168095 /nfs/dbraw/zinc/16/80/95/567168095.db2.gz JNKFNDAOQDMYSY-NSHDSACASA-N -1 3 384.281 3.012 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)CC2CCCC2)CCN1c1ccc(Cl)cc1Cl ZINC000474394447 567168071 /nfs/dbraw/zinc/16/80/71/567168071.db2.gz YNRFCWRIPRFWMZ-AWEZNQCLSA-N -1 3 391.320 3.208 20 0 GGADHM COCc1nc(SCc2nnc(-c3ccccc3Br)o2)n[n-]1 ZINC000474396006 567168524 /nfs/dbraw/zinc/16/85/24/567168524.db2.gz WHCKIZLAZHCTER-UHFFFAOYSA-N -1 3 382.243 3.056 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CCC2CC2)cc1 ZINC000546885669 567168522 /nfs/dbraw/zinc/16/85/22/567168522.db2.gz SJLWMPRFYVJCAL-UHFFFAOYSA-N -1 3 388.555 3.039 20 0 GGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000546883194 567168550 /nfs/dbraw/zinc/16/85/50/567168550.db2.gz DUMVOPYUVRFCDD-SECBINFHSA-N -1 3 390.221 3.467 20 0 GGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000546883197 567168808 /nfs/dbraw/zinc/16/88/08/567168808.db2.gz DUMVOPYUVRFCDD-VIFPVBQESA-N -1 3 390.221 3.467 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1N1CCOCC1 ZINC000523728494 567168955 /nfs/dbraw/zinc/16/89/55/567168955.db2.gz ITGHABONNRYQPW-UHFFFAOYSA-N -1 3 377.238 3.244 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nnnn1-c1ccccc1 ZINC000523733115 567169035 /nfs/dbraw/zinc/16/90/35/567169035.db2.gz PTPBFENMKFARTA-JTQLQIEISA-N -1 3 398.275 3.009 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000523732628 567169201 /nfs/dbraw/zinc/16/92/01/567169201.db2.gz OXJLEJTWWUNVCV-AWEZNQCLSA-N -1 3 392.830 3.339 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3nc(C)ncc3C2)c1Cl ZINC000615210583 567169516 /nfs/dbraw/zinc/16/95/16/567169516.db2.gz FXMFKVJKOGENQL-LBPRGKRZSA-N -1 3 386.304 3.236 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nnnn1-c1ccccc1 ZINC000523732955 567169650 /nfs/dbraw/zinc/16/96/50/567169650.db2.gz FCTYPQMTXZSOTC-SNVBAGLBSA-N -1 3 398.275 3.009 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc3ccccc3[nH]2)CC1)c1cccs1 ZINC000684019475 567169770 /nfs/dbraw/zinc/16/97/70/567169770.db2.gz GCNQYSAEHMOECJ-UHFFFAOYSA-N -1 3 375.519 3.172 20 0 GGADHM COc1ccc(CNC[C@H](CO)Cc2ccc(F)cc2)c(Br)c1[O-] ZINC000546893280 567169780 /nfs/dbraw/zinc/16/97/80/567169780.db2.gz RBTPNIZHBINVBI-CYBMUJFWSA-N -1 3 398.272 3.243 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000589235966 567170372 /nfs/dbraw/zinc/17/03/72/567170372.db2.gz UWORWSFTZYZZFD-QMMMGPOBSA-N -1 3 377.896 3.215 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)c1Cl ZINC000523827198 567172374 /nfs/dbraw/zinc/17/23/74/567172374.db2.gz YTRFMUVTAAMYCL-UHFFFAOYSA-N -1 3 399.299 3.169 20 0 GGADHM COc1ccc(CN(CCO)Cc2ccccc2OC)c(Br)c1[O-] ZINC000546962680 567175287 /nfs/dbraw/zinc/17/52/87/567175287.db2.gz CXYUUWKHMGTIAU-UHFFFAOYSA-N -1 3 396.281 3.166 20 0 GGADHM COc1ccc(OCCCS(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000589425525 567178272 /nfs/dbraw/zinc/17/82/72/567178272.db2.gz XENHKNBXEVDERF-UHFFFAOYSA-N -1 3 375.368 3.323 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)c1 ZINC000589431350 567179006 /nfs/dbraw/zinc/17/90/06/567179006.db2.gz CHIYRCTWTPNTNA-UHFFFAOYSA-N -1 3 382.869 3.288 20 0 GGADHM CCc1ccc([O-])c(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000566701205 567181798 /nfs/dbraw/zinc/18/17/98/567181798.db2.gz WFTZRXQDCMPDGV-UHFFFAOYSA-N -1 3 381.881 3.202 20 0 GGADHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(Br)cc1[O-] ZINC000524157121 567184395 /nfs/dbraw/zinc/18/43/95/567184395.db2.gz UDMYEWZWJWKWGJ-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000589568534 567184629 /nfs/dbraw/zinc/18/46/29/567184629.db2.gz ZCJUDMUXBZMNGS-UHFFFAOYSA-N -1 3 378.881 3.173 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1 ZINC000432771576 567188036 /nfs/dbraw/zinc/18/80/36/567188036.db2.gz LSKZYFMCFYSNOW-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CC(C)(Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000589627445 567188822 /nfs/dbraw/zinc/18/88/22/567188822.db2.gz WTLNSYJOBHMHRL-UHFFFAOYSA-N -1 3 387.274 3.283 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1Cl ZINC000615566759 567190651 /nfs/dbraw/zinc/19/06/51/567190651.db2.gz GSTACWICGGUTBR-SECBINFHSA-N -1 3 393.317 3.038 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1Cl ZINC000615566760 567191076 /nfs/dbraw/zinc/19/10/76/567191076.db2.gz GSTACWICGGUTBR-VIFPVBQESA-N -1 3 393.317 3.038 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@@H]2CCCCS2)no1)c1ccc(Cl)s1 ZINC000547226701 567191380 /nfs/dbraw/zinc/19/13/80/567191380.db2.gz WRWWDKLAKWDCRR-QMMMGPOBSA-N -1 3 379.916 3.221 20 0 GGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc([C@@H]3CCCCS3)no2)ccc1F ZINC000547225360 567191396 /nfs/dbraw/zinc/19/13/96/567191396.db2.gz JQFBURNFPVMNHR-ZDUSSCGKSA-N -1 3 383.470 3.275 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@H]2CCCCS2)no1)c1ccc(Cl)s1 ZINC000547226700 567191461 /nfs/dbraw/zinc/19/14/61/567191461.db2.gz WRWWDKLAKWDCRR-MRVPVSSYSA-N -1 3 379.916 3.221 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCOc2c(Br)cccc2C1 ZINC000684267704 567194235 /nfs/dbraw/zinc/19/42/35/567194235.db2.gz JCKCZWDQZHFFQH-UHFFFAOYSA-N -1 3 395.228 3.398 20 0 GGADHM COc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc(OC)c1[O-] ZINC000547271742 567195021 /nfs/dbraw/zinc/19/50/21/567195021.db2.gz XOATVNBMCOZUFA-ZIAGYGMSSA-N -1 3 392.249 3.458 20 0 GGADHM Cc1ccc(CO[C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000637376026 567195044 /nfs/dbraw/zinc/19/50/44/567195044.db2.gz DAORYQSTJVWHCA-LLVKDONJSA-N -1 3 375.778 3.373 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC3(CC3)CC2)cc(C(F)(F)F)c1 ZINC000684280434 567196236 /nfs/dbraw/zinc/19/62/36/567196236.db2.gz OQYFVPWNWHNJIE-UHFFFAOYSA-N -1 3 376.400 3.093 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@H]1CC12CCCC2 ZINC000474763939 567197260 /nfs/dbraw/zinc/19/72/60/567197260.db2.gz UCCQXHYRHUIAFD-CYBMUJFWSA-N -1 3 376.400 3.046 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000589919391 567197403 /nfs/dbraw/zinc/19/74/03/567197403.db2.gz RAYZTUVHPXVLMT-CYBMUJFWSA-N -1 3 375.437 3.276 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589888173 567197688 /nfs/dbraw/zinc/19/76/88/567197688.db2.gz DPZGZAINJFFLRT-GXSJLCMTSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000524408768 567198047 /nfs/dbraw/zinc/19/80/47/567198047.db2.gz LFLSFTUTZWVJQG-JTQLQIEISA-N -1 3 397.287 3.359 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000524450617 567199250 /nfs/dbraw/zinc/19/92/50/567199250.db2.gz UOJWQWBGDXFTIS-UHFFFAOYSA-N -1 3 398.937 3.266 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc(C(F)(F)F)c1 ZINC000684298908 567199624 /nfs/dbraw/zinc/19/96/24/567199624.db2.gz PUIMSVUZAKTQKO-HZMBPMFUSA-N -1 3 376.400 3.092 20 0 GGADHM COc1cc(Br)cc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000498793960 567202664 /nfs/dbraw/zinc/20/26/64/567202664.db2.gz TWHSZGKQASWVJW-UHFFFAOYSA-N -1 3 384.255 3.236 20 0 GGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590047903 567204686 /nfs/dbraw/zinc/20/46/86/567204686.db2.gz KYWNEQKPJIBEEV-OLZOCXBDSA-N -1 3 392.974 3.401 20 0 GGADHM COc1ccc(CNc2ccc3c(c2)OCC(=O)N3C)c(Br)c1[O-] ZINC000547374503 567205042 /nfs/dbraw/zinc/20/50/42/567205042.db2.gz QLXHBVSYYALEOD-UHFFFAOYSA-N -1 3 393.237 3.131 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000498855852 567205812 /nfs/dbraw/zinc/20/58/12/567205812.db2.gz NKNPYJBTDZTPAS-UHFFFAOYSA-N -1 3 398.220 3.292 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000498855852 567205819 /nfs/dbraw/zinc/20/58/19/567205819.db2.gz NKNPYJBTDZTPAS-UHFFFAOYSA-N -1 3 398.220 3.292 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)sc1Br ZINC000498905867 567209402 /nfs/dbraw/zinc/20/94/02/567209402.db2.gz DTKFCIRQMOCORD-NSHDSACASA-N -1 3 386.292 3.425 20 0 GGADHM CCCc1nc(=NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)s[n-]1 ZINC000567002071 567209658 /nfs/dbraw/zinc/20/96/58/567209658.db2.gz WZTNDLRBXRSFQJ-IUODEOHRSA-N -1 3 379.555 3.179 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000567002846 567209818 /nfs/dbraw/zinc/20/98/18/567209818.db2.gz JUOIQDZMXIYUFF-CYBMUJFWSA-N -1 3 378.441 3.459 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2sc(C)nc2C)c(F)cc1F ZINC000524704036 567210268 /nfs/dbraw/zinc/21/02/68/567210268.db2.gz GMUXXZJTMXWUJR-UHFFFAOYSA-N -1 3 389.449 3.442 20 0 GGADHM CC(C)c1coc([N-]C(=O)c2cc(Cn3cc(Br)cn3)on2)n1 ZINC000637635640 567210392 /nfs/dbraw/zinc/21/03/92/567210392.db2.gz KHCNMNBRWRTFGW-UHFFFAOYSA-N -1 3 380.202 3.046 20 0 GGADHM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]CCC(F)(F)F)cc2c1C ZINC000524728195 567211739 /nfs/dbraw/zinc/21/17/39/567211739.db2.gz HOIMUVORADLZRU-UHFFFAOYSA-N -1 3 396.412 3.012 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)c2ccccc21 ZINC000498910576 567211942 /nfs/dbraw/zinc/21/19/42/567211942.db2.gz ZXOHOKAXLJXJMN-CYBMUJFWSA-N -1 3 384.226 3.194 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)CO2 ZINC000547479597 567212842 /nfs/dbraw/zinc/21/28/42/567212842.db2.gz MVXAUMMUXFFDIA-CYBMUJFWSA-N -1 3 386.242 3.309 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)s2)c1 ZINC000567045259 567213836 /nfs/dbraw/zinc/21/38/36/567213836.db2.gz VZHGPCIAFXCWDI-NXEZZACHSA-N -1 3 390.328 3.122 20 0 GGADHM Cc1cc(F)c(Br)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000474972574 567215338 /nfs/dbraw/zinc/21/53/38/567215338.db2.gz UNEXDDSDGLNIFN-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(F)c(Br)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000474972574 567215343 /nfs/dbraw/zinc/21/53/43/567215343.db2.gz UNEXDDSDGLNIFN-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(F)c(Br)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000474972574 567215349 /nfs/dbraw/zinc/21/53/49/567215349.db2.gz UNEXDDSDGLNIFN-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000524856038 567216154 /nfs/dbraw/zinc/21/61/54/567216154.db2.gz ICYGMHNZNJDVLI-LBPRGKRZSA-N -1 3 380.491 3.186 20 0 GGADHM CCc1ncc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000524852438 567216312 /nfs/dbraw/zinc/21/63/12/567216312.db2.gz WUJKUXHLLDNLIY-UHFFFAOYSA-N -1 3 385.486 3.174 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(CSC2CCOCC2)c1 ZINC000524851979 567216910 /nfs/dbraw/zinc/21/69/10/567216910.db2.gz CZLMAXKBXSSWQY-KRWDZBQOSA-N -1 3 385.551 3.410 20 0 GGADHM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000567087517 567217210 /nfs/dbraw/zinc/21/72/10/567217210.db2.gz ZWOBLRUNCAOYTH-UHFFFAOYSA-N -1 3 380.853 3.047 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000524872751 567217990 /nfs/dbraw/zinc/21/79/90/567217990.db2.gz YAEJLHNGEXATSH-KCJUWKMLSA-N -1 3 389.857 3.162 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100657 567218246 /nfs/dbraw/zinc/21/82/46/567218246.db2.gz VVYBEXMTGOFRFP-CHWSQXEVSA-N -1 3 382.835 3.264 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100658 567219266 /nfs/dbraw/zinc/21/92/66/567219266.db2.gz VVYBEXMTGOFRFP-OLZOCXBDSA-N -1 3 382.835 3.264 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000684588063 567219364 /nfs/dbraw/zinc/21/93/64/567219364.db2.gz SLVSQAAHJZONKK-CYBMUJFWSA-N -1 3 377.771 3.310 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CC(C)(c2ccccc2)C1 ZINC000567118378 567220554 /nfs/dbraw/zinc/22/05/54/567220554.db2.gz RRTCYNQNHUEZML-UHFFFAOYSA-N -1 3 379.503 3.242 20 0 GGADHM COCCS(=O)(=O)[N-]c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1 ZINC000524919584 567221098 /nfs/dbraw/zinc/22/10/98/567221098.db2.gz RMLURXOXENYBOF-UHFFFAOYSA-N -1 3 381.841 3.174 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1C ZINC000567140158 567221400 /nfs/dbraw/zinc/22/14/00/567221400.db2.gz OQRFFXCDWUBJLZ-UHFFFAOYSA-N -1 3 380.857 3.048 20 0 GGADHM COC(=O)c1ccc(C(=O)N2CCc3cc(Br)c(Cl)cc32)[n-]1 ZINC000590338287 567221422 /nfs/dbraw/zinc/22/14/22/567221422.db2.gz SRAMNUKKQAMYLF-UHFFFAOYSA-N -1 3 383.629 3.420 20 0 GGADHM O=S(=O)([N-]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1 ZINC000616017091 567222611 /nfs/dbraw/zinc/22/26/11/567222611.db2.gz FWKLBZJMRNGWRH-RKDXNWHRSA-N -1 3 376.322 3.269 20 0 GGADHM Cc1cc(I)ccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000433109499 567224315 /nfs/dbraw/zinc/22/43/15/567224315.db2.gz KZVFDMUJYYSLKU-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1cc(I)ccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000433109499 567224320 /nfs/dbraw/zinc/22/43/20/567224320.db2.gz KZVFDMUJYYSLKU-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1cc(I)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433109499 567224326 /nfs/dbraw/zinc/22/43/26/567224326.db2.gz KZVFDMUJYYSLKU-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)ccc1OC ZINC000433131229 567225593 /nfs/dbraw/zinc/22/55/93/567225593.db2.gz JMZLBGOBXFSLMI-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1Br)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804702 567225870 /nfs/dbraw/zinc/22/58/70/567225870.db2.gz DKFIFSDFVUCYDF-NXHRZFHOSA-N -1 3 380.282 3.467 20 0 GGADHM COCCCOC1CCN([C@@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000659787678 567226326 /nfs/dbraw/zinc/22/63/26/567226326.db2.gz OTNGEEFXMOTQFG-MRXNPFEDSA-N -1 3 386.286 3.092 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCN1C1CCCCC1 ZINC000684660752 567226477 /nfs/dbraw/zinc/22/64/77/567226477.db2.gz XJKLCWGTRJRGBI-AWEZNQCLSA-N -1 3 391.320 3.205 20 0 GGADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c1 ZINC000567210913 567226815 /nfs/dbraw/zinc/22/68/15/567226815.db2.gz DOZUGJDVXVSGDL-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1 ZINC000433166497 567227253 /nfs/dbraw/zinc/22/72/53/567227253.db2.gz XTVQLEJMJRGMHS-UHFFFAOYSA-N -1 3 387.816 3.140 20 0 GGADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660149 567227471 /nfs/dbraw/zinc/22/74/71/567227471.db2.gz QPLVEKPWHUUEDF-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]1CCC(C)(C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000616164703 567229792 /nfs/dbraw/zinc/22/97/92/567229792.db2.gz GOJJIQXYSKCEDO-JTQLQIEISA-N -1 3 378.416 3.480 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC23CC3)cc1Cl ZINC000567245457 567230024 /nfs/dbraw/zinc/23/00/24/567230024.db2.gz SKNZACDURZNVRF-QMMMGPOBSA-N -1 3 380.691 3.190 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)N(C)C)cc1 ZINC000567254059 567231938 /nfs/dbraw/zinc/23/19/38/567231938.db2.gz ZIMGCBSHAKKLST-INIZCTEOSA-N -1 3 385.942 3.038 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000567264593 567231962 /nfs/dbraw/zinc/23/19/62/567231962.db2.gz DULQIIRJSKBORO-DTWKUNHWSA-N -1 3 384.242 3.156 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)no1 ZINC000525186615 567232025 /nfs/dbraw/zinc/23/20/25/567232025.db2.gz RVIIWOVTTOAKPR-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1ccc(Br)cn1 ZINC000525186397 567232395 /nfs/dbraw/zinc/23/23/95/567232395.db2.gz ANYUPPHWGJUEQH-UHFFFAOYSA-N -1 3 387.324 3.263 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)c(Br)c1 ZINC000590592702 567234206 /nfs/dbraw/zinc/23/42/06/567234206.db2.gz NPKWETGCXQTFBW-UHFFFAOYSA-N -1 3 398.278 3.220 20 0 GGADHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)cc1 ZINC000684764946 567235291 /nfs/dbraw/zinc/23/52/91/567235291.db2.gz UILDUYGRVJKHHP-UHFFFAOYSA-N -1 3 382.482 3.027 20 0 GGADHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000590611079 567235686 /nfs/dbraw/zinc/23/56/86/567235686.db2.gz UBDAFHQBDWLMHK-CYBMUJFWSA-N -1 3 388.272 3.284 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)s1 ZINC000684764434 567235883 /nfs/dbraw/zinc/23/58/83/567235883.db2.gz RVBJTQPPRARPCY-RCBQFDQVSA-N -1 3 378.519 3.170 20 0 GGADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000590611080 567235918 /nfs/dbraw/zinc/23/59/18/567235918.db2.gz UBDAFHQBDWLMHK-ZDUSSCGKSA-N -1 3 388.272 3.284 20 0 GGADHM CCCCN(C)C[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567326213 567236181 /nfs/dbraw/zinc/23/61/81/567236181.db2.gz FJVHLAQDDLLMDR-LBPRGKRZSA-N -1 3 394.313 3.141 20 0 GGADHM O=C(NCCNc1cccc(Br)c1)c1c[n-]nc1-c1ccccn1 ZINC000567317948 567236925 /nfs/dbraw/zinc/23/69/25/567236925.db2.gz MSACBJLQSKBGHF-UHFFFAOYSA-N -1 3 386.253 3.076 20 0 GGADHM CCc1nc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)cn1CC1CC1 ZINC000659904563 567236913 /nfs/dbraw/zinc/23/69/13/567236913.db2.gz LINDRFGRABNDNA-UHFFFAOYSA-N -1 3 382.555 3.088 20 0 GGADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000525233000 567237459 /nfs/dbraw/zinc/23/74/59/567237459.db2.gz JJHRWRDTINSBDP-NSHDSACASA-N -1 3 381.420 3.037 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1cc(F)ccc1Br ZINC000567352176 567239639 /nfs/dbraw/zinc/23/96/39/567239639.db2.gz ROPOOEPOIGAKGQ-UHFFFAOYSA-N -1 3 399.285 3.425 20 0 GGADHM O=C(CCSc1ccc(Br)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000547731109 567241139 /nfs/dbraw/zinc/24/11/39/567241139.db2.gz BNKUZEYWKGKFKC-UHFFFAOYSA-N -1 3 394.294 3.012 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc(Br)ccc1[O-] ZINC000684842668 567241301 /nfs/dbraw/zinc/24/13/01/567241301.db2.gz BHESXLUWGMRMLF-UHFFFAOYSA-N -1 3 377.173 3.331 20 0 GGADHM COc1cc(F)ccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000659946472 567242776 /nfs/dbraw/zinc/24/27/76/567242776.db2.gz FOETYEDSVDTCNK-CYBMUJFWSA-N -1 3 377.359 3.459 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccs1 ZINC000590741523 567243068 /nfs/dbraw/zinc/24/30/68/567243068.db2.gz FCROKGQRQLICRT-ZDUSSCGKSA-N -1 3 391.873 3.264 20 0 GGADHM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547742901 567243146 /nfs/dbraw/zinc/24/31/46/567243146.db2.gz OTONRTKOZSLJER-DGCLKSJQSA-N -1 3 393.281 3.056 20 0 GGADHM O=C(NCCNc1ncc(Cl)cc1Cl)c1c[n-]nc1-c1ccccn1 ZINC000567402780 567243424 /nfs/dbraw/zinc/24/34/24/567243424.db2.gz VDDCRBAHPPTVDD-UHFFFAOYSA-N -1 3 377.235 3.015 20 0 GGADHM CCc1nc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)cn1CC1CC1 ZINC000659972863 567243461 /nfs/dbraw/zinc/24/34/61/567243461.db2.gz YOJABZJRQMHCBM-CQSZACIVSA-N -1 3 377.535 3.023 20 0 GGADHM CC(C)(C)[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000547749063 567243605 /nfs/dbraw/zinc/24/36/05/567243605.db2.gz HLBFYTROPNHXPW-INIZCTEOSA-N -1 3 393.281 3.178 20 0 GGADHM CSCC1CCC([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC1 ZINC000590759357 567244738 /nfs/dbraw/zinc/24/47/38/567244738.db2.gz GIKKXSLTSOGNKL-LMWSTFAQSA-N -1 3 390.596 3.145 20 0 GGADHM CCc1cc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000499404789 567244932 /nfs/dbraw/zinc/24/49/32/567244932.db2.gz KMVKQDJXAFMEFN-UHFFFAOYSA-N -1 3 395.228 3.111 20 0 GGADHM CC1(C)CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000475399557 567244908 /nfs/dbraw/zinc/24/49/08/567244908.db2.gz BWSSZZGUUQFEOS-ZDUSSCGKSA-N -1 3 378.416 3.292 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000684913188 567245236 /nfs/dbraw/zinc/24/52/36/567245236.db2.gz XLLQVPXSXFMENV-GFCCVEGCSA-N -1 3 395.750 3.255 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)c1ccncc1 ZINC000684914934 567245385 /nfs/dbraw/zinc/24/53/85/567245385.db2.gz GNZDSGPQDHVBIL-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H](CC(C)C)c2ccccc2)s1 ZINC000525371425 567245415 /nfs/dbraw/zinc/24/54/15/567245415.db2.gz AUZFLADBJWCZQA-MRXNPFEDSA-N -1 3 380.535 3.102 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCO[C@H]1C1CC1 ZINC000684917278 567245642 /nfs/dbraw/zinc/24/56/42/567245642.db2.gz NKLXKGFZEJGYTM-UONOGXRCSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000684914019 567245826 /nfs/dbraw/zinc/24/58/26/567245826.db2.gz NUKRONJTUNPUME-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000433369839 567245783 /nfs/dbraw/zinc/24/57/83/567245783.db2.gz AISDMQXOPJCVEB-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000433369839 567245787 /nfs/dbraw/zinc/24/57/87/567245787.db2.gz AISDMQXOPJCVEB-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433369839 567245791 /nfs/dbraw/zinc/24/57/91/567245791.db2.gz AISDMQXOPJCVEB-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000433357202 567246208 /nfs/dbraw/zinc/24/62/08/567246208.db2.gz WUYJYRRINOVFJV-UHFFFAOYSA-N -1 3 393.958 3.319 20 0 GGADHM CO[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Cc1ccccc1 ZINC000455206959 567247096 /nfs/dbraw/zinc/24/70/96/567247096.db2.gz IGJDLLGNZQSUSX-OAHLLOKOSA-N -1 3 393.281 3.212 20 0 GGADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ncccc3Br)ccc2O1 ZINC000433395062 567247693 /nfs/dbraw/zinc/24/76/93/567247693.db2.gz PAMLKIJTPMCUQP-UHFFFAOYSA-N -1 3 383.267 3.358 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000433376304 567247793 /nfs/dbraw/zinc/24/77/93/567247793.db2.gz NATRIRAJNAGXDL-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2c(Br)ccc(F)c2C1 ZINC000433376304 567247801 /nfs/dbraw/zinc/24/78/01/567247801.db2.gz NATRIRAJNAGXDL-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000433376304 567247805 /nfs/dbraw/zinc/24/78/05/567247805.db2.gz NATRIRAJNAGXDL-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM CCCN(CC)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433419966 567249369 /nfs/dbraw/zinc/24/93/69/567249369.db2.gz IDUPFIMFYKRQIH-UHFFFAOYSA-N -1 3 389.768 3.174 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ncsc2Br)CC1 ZINC000660021887 567249709 /nfs/dbraw/zinc/24/97/09/567249709.db2.gz QMYOPIMRRZHSPF-UHFFFAOYSA-N -1 3 396.310 3.462 20 0 GGADHM CSc1nnc(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)[n-]1 ZINC000684964208 567249889 /nfs/dbraw/zinc/24/98/89/567249889.db2.gz GTIRBWUWUAWNIZ-ABAIWWIYSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)n1 ZINC000684964208 567249894 /nfs/dbraw/zinc/24/98/94/567249894.db2.gz GTIRBWUWUAWNIZ-ABAIWWIYSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1nc(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)n[n-]1 ZINC000684964208 567249898 /nfs/dbraw/zinc/24/98/98/567249898.db2.gz GTIRBWUWUAWNIZ-ABAIWWIYSA-N -1 3 379.283 3.132 20 0 GGADHM COc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)c(Br)c1[O-] ZINC000567470845 567250022 /nfs/dbraw/zinc/25/00/22/567250022.db2.gz RXTBYTLOLGTAKJ-AWEZNQCLSA-N -1 3 397.313 3.140 20 0 GGADHM COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nnc(SC)[n-]1 ZINC000525455116 567250445 /nfs/dbraw/zinc/25/04/45/567250445.db2.gz GZSVTNAYXMZXMZ-NSHDSACASA-N -1 3 399.314 3.123 20 0 GGADHM COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc(SC)n[n-]1 ZINC000525455116 567250454 /nfs/dbraw/zinc/25/04/54/567250454.db2.gz GZSVTNAYXMZXMZ-NSHDSACASA-N -1 3 399.314 3.123 20 0 GGADHM COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1n[n-]c(SC)n1 ZINC000525455116 567250458 /nfs/dbraw/zinc/25/04/58/567250458.db2.gz GZSVTNAYXMZXMZ-NSHDSACASA-N -1 3 399.314 3.123 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1ccc(Cl)cc1F ZINC000433449430 567250670 /nfs/dbraw/zinc/25/06/70/567250670.db2.gz GBXUSPNGWVGSML-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)o1 ZINC000567497324 567251527 /nfs/dbraw/zinc/25/15/27/567251527.db2.gz RDJQKKBHOHFZRO-UHFFFAOYSA-N -1 3 393.690 3.273 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCCC1 ZINC000660054344 567251779 /nfs/dbraw/zinc/25/17/79/567251779.db2.gz RNAFLEHTUOYUIY-CYBMUJFWSA-N -1 3 380.279 3.072 20 0 GGADHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OCC ZINC000433476094 567253719 /nfs/dbraw/zinc/25/37/19/567253719.db2.gz XGRLYVRLLZWXJK-JTQLQIEISA-N -1 3 398.308 3.260 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)NCC1CCCC1 ZINC000433490448 567254162 /nfs/dbraw/zinc/25/41/62/567254162.db2.gz HZBBFAFJVAUPAP-UHFFFAOYSA-N -1 3 393.336 3.357 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000455255769 567254191 /nfs/dbraw/zinc/25/41/91/567254191.db2.gz ZMWOLXQEXXEAFQ-GOEBONIOSA-N -1 3 375.270 3.171 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC1CCCC1 ZINC000433500090 567254914 /nfs/dbraw/zinc/25/49/14/567254914.db2.gz GCULTSDZYAUIBZ-UHFFFAOYSA-N -1 3 393.336 3.357 20 0 GGADHM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054488 567255631 /nfs/dbraw/zinc/25/56/31/567255631.db2.gz WRVHEOAJTKLCJJ-TXEJJXNPSA-N -1 3 375.416 3.061 20 0 GGADHM O=S(=O)(CCc1cccs1)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000660062614 567255648 /nfs/dbraw/zinc/25/56/48/567255648.db2.gz LPJKOHHHHGIGHQ-CYBMUJFWSA-N -1 3 380.318 3.250 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)c(F)c1 ZINC000433501808 567255924 /nfs/dbraw/zinc/25/59/24/567255924.db2.gz MSEMTJUFOOUYQD-CQSZACIVSA-N -1 3 389.807 3.201 20 0 GGADHM CC(C)CC1([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 ZINC000660064586 567256056 /nfs/dbraw/zinc/25/60/56/567256056.db2.gz SBSZOOJXIIADGF-UHFFFAOYSA-N -1 3 386.583 3.310 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1ccc(Br)cc1F ZINC000475541171 567256134 /nfs/dbraw/zinc/25/61/34/567256134.db2.gz OHNMUZUFENXWQV-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCCSC2)c(F)cc1F ZINC000567558539 567256787 /nfs/dbraw/zinc/25/67/87/567256787.db2.gz FIPHOPRTJSWIHQ-SNVBAGLBSA-N -1 3 378.466 3.198 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000475566386 567257616 /nfs/dbraw/zinc/25/76/16/567257616.db2.gz ZRSUZNIDOUNPNS-UHFFFAOYSA-N -1 3 375.899 3.295 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000660077712 567258338 /nfs/dbraw/zinc/25/83/38/567258338.db2.gz UYWQEJDFYWTPRN-ZDUSSCGKSA-N -1 3 387.885 3.258 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)C)sc2C)s1 ZINC000499593952 567260344 /nfs/dbraw/zinc/26/03/44/567260344.db2.gz FFJREZUTXKQNDF-GFCCVEGCSA-N -1 3 387.552 3.001 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@@H](CO)c1ccc(F)cc1F ZINC000660102780 567260543 /nfs/dbraw/zinc/26/05/43/567260543.db2.gz YTDBZWKUWRRQIZ-HNNXBMFYSA-N -1 3 377.359 3.055 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCC1)c1ccc(Br)cc1F ZINC000475591002 567261135 /nfs/dbraw/zinc/26/11/35/567261135.db2.gz PNVFWVQNUUOWII-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)s1 ZINC000660101336 567261477 /nfs/dbraw/zinc/26/14/77/567261477.db2.gz PPOAWUCSEGBNLB-CYBMUJFWSA-N -1 3 375.462 3.336 20 0 GGADHM Cc1ccncc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000525752251 567262160 /nfs/dbraw/zinc/26/21/60/567262160.db2.gz AGUNVVJJIPZQPJ-UHFFFAOYSA-N -1 3 375.201 3.356 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2ccc(Br)s2)s1 ZINC000433617790 567262464 /nfs/dbraw/zinc/26/24/64/567262464.db2.gz OWDMWQZUFNIGAI-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000433629956 567262494 /nfs/dbraw/zinc/26/24/94/567262494.db2.gz BMSWLYPYKPJDAF-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000499643166 567262953 /nfs/dbraw/zinc/26/29/53/567262953.db2.gz QGHMELBKENOOLH-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM CCSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000499651593 567263365 /nfs/dbraw/zinc/26/33/65/567263365.db2.gz WVXZXAWCHAENOR-LBPRGKRZSA-N -1 3 381.947 3.175 20 0 GGADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000475649858 567264394 /nfs/dbraw/zinc/26/43/94/567264394.db2.gz LJKKBOQXRFPPCZ-TVQRCGJNSA-N -1 3 382.404 3.077 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccc(Cl)cc2)s1 ZINC000433652391 567265079 /nfs/dbraw/zinc/26/50/79/567265079.db2.gz ZMJIOHVQCJTVPW-CQSZACIVSA-N -1 3 396.925 3.215 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)c(Br)c1 ZINC000499674258 567265053 /nfs/dbraw/zinc/26/50/53/567265053.db2.gz INVBPJBNZPFYFJ-MFKMUULPSA-N -1 3 390.299 3.093 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccc(Cl)cc1 ZINC000567665080 567265717 /nfs/dbraw/zinc/26/57/17/567265717.db2.gz MMDPFMJUFWKHIW-ZDUSSCGKSA-N -1 3 383.882 3.011 20 0 GGADHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433664518 567265967 /nfs/dbraw/zinc/26/59/67/567265967.db2.gz OCMRROUCHUISFZ-QMMMGPOBSA-N -1 3 389.768 3.173 20 0 GGADHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433664517 567266033 /nfs/dbraw/zinc/26/60/33/567266033.db2.gz OCMRROUCHUISFZ-MRVPVSSYSA-N -1 3 389.768 3.173 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)c1ccccc1 ZINC000433679374 567266155 /nfs/dbraw/zinc/26/61/55/567266155.db2.gz UMMHMOSNDODURF-GFCCVEGCSA-N -1 3 390.324 3.485 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000499722776 567268299 /nfs/dbraw/zinc/26/82/99/567268299.db2.gz ZKUKPRZAMNQYTH-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000499720396 567268537 /nfs/dbraw/zinc/26/85/37/567268537.db2.gz SFNGIGBNPKOIRF-LLVKDONJSA-N -1 3 383.491 3.390 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@H]2C)oc1C ZINC000499740248 567269444 /nfs/dbraw/zinc/26/94/44/567269444.db2.gz FIMMUCTUXBTJMO-BMLIUANNSA-N -1 3 383.853 3.242 20 0 GGADHM Cc1cc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)ccc1[O-] ZINC000499733392 567269590 /nfs/dbraw/zinc/26/95/90/567269590.db2.gz OASVZRHKVRATMR-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(C)c2)s1 ZINC000433739342 567270469 /nfs/dbraw/zinc/27/04/69/567270469.db2.gz IUXCHJSIYDZXGR-SNVBAGLBSA-N -1 3 387.454 3.030 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000499751868 567270504 /nfs/dbraw/zinc/27/05/04/567270504.db2.gz XCAUJFSBXLACLM-JTQLQIEISA-N -1 3 381.828 3.230 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000433745667 567270586 /nfs/dbraw/zinc/27/05/86/567270586.db2.gz TXOYZFRUQVCFTC-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM CCn1nccc1-c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000685384572 567271972 /nfs/dbraw/zinc/27/19/72/567271972.db2.gz MDFHCYGELKBPIU-UHFFFAOYSA-N -1 3 386.213 3.168 20 0 GGADHM CCn1nccc1-c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000685384572 567271976 /nfs/dbraw/zinc/27/19/76/567271976.db2.gz MDFHCYGELKBPIU-UHFFFAOYSA-N -1 3 386.213 3.168 20 0 GGADHM CCn1nccc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000685384572 567271979 /nfs/dbraw/zinc/27/19/79/567271979.db2.gz MDFHCYGELKBPIU-UHFFFAOYSA-N -1 3 386.213 3.168 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)N2CCc3sccc3C2)cc1F ZINC000475749273 567273547 /nfs/dbraw/zinc/27/35/47/567273547.db2.gz NAVDTOJLAWZYLC-LBPRGKRZSA-N -1 3 386.489 3.060 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCOc2ccccc2C(F)(F)F)s1 ZINC000433818900 567274036 /nfs/dbraw/zinc/27/40/36/567274036.db2.gz HKQQUETZAZONMI-UHFFFAOYSA-N -1 3 380.413 3.136 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)s1 ZINC000433815888 567274094 /nfs/dbraw/zinc/27/40/94/567274094.db2.gz QPAZRNMDXIAEAH-UHFFFAOYSA-N -1 3 387.324 3.490 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000591328184 567274603 /nfs/dbraw/zinc/27/46/03/567274603.db2.gz YIRDCPJFPVIVHT-UHFFFAOYSA-N -1 3 381.828 3.373 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000591325739 567274707 /nfs/dbraw/zinc/27/47/07/567274707.db2.gz UVOQMDYNDZZBOC-QAPCUYQASA-N -1 3 379.865 3.135 20 0 GGADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000548029917 567274919 /nfs/dbraw/zinc/27/49/19/567274919.db2.gz WXXLJZJCYCPAGK-UHFFFAOYSA-N -1 3 398.278 3.336 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(F)(F)F ZINC000433836639 567275341 /nfs/dbraw/zinc/27/53/41/567275341.db2.gz AHUKBXBTPVQKOW-UHFFFAOYSA-N -1 3 386.848 3.327 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)Nc1cccnc1 ZINC000433830357 567275582 /nfs/dbraw/zinc/27/55/82/567275582.db2.gz WURHKOOCJJWPFI-UHFFFAOYSA-N -1 3 395.893 3.257 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)sc1Br ZINC000433830316 567275689 /nfs/dbraw/zinc/27/56/89/567275689.db2.gz WPRFRTMYFJSPKO-NSHDSACASA-N -1 3 393.372 3.114 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)c(C)o1 ZINC000567764747 567275863 /nfs/dbraw/zinc/27/58/63/567275863.db2.gz SKIZCJZTHKMOCC-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)C(C)C ZINC000567783019 567276632 /nfs/dbraw/zinc/27/66/32/567276632.db2.gz JOJXGRTVXSMKSZ-ZDUSSCGKSA-N -1 3 384.723 3.193 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2ccc(F)c(Br)c2)s1 ZINC000433840537 567276957 /nfs/dbraw/zinc/27/69/57/567276957.db2.gz FIGFWBOAVCRQJB-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1nc2ccccc2s1)[C@@H]1CCCN(C2CCC2)C1 ZINC000567781299 567277227 /nfs/dbraw/zinc/27/72/27/567277227.db2.gz BCZJOBOKRGABCB-ZIAGYGMSSA-N -1 3 379.551 3.228 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCc2nccn2C1)c1c(Cl)ccc2ccccc21 ZINC000548067448 567277228 /nfs/dbraw/zinc/27/72/28/567277228.db2.gz VAVVNNLSVYBTRW-ZDUSSCGKSA-N -1 3 375.881 3.231 20 0 GGADHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433843804 567277412 /nfs/dbraw/zinc/27/74/12/567277412.db2.gz OQLUIPXEMGRQRW-JTQLQIEISA-N -1 3 375.899 3.421 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000475799091 567278388 /nfs/dbraw/zinc/27/83/88/567278388.db2.gz RUZQGOGLIVCPAN-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC(C)(C)C2)cc1 ZINC000525969647 567280199 /nfs/dbraw/zinc/28/01/99/567280199.db2.gz CHIWNGICEABQFZ-UHFFFAOYSA-N -1 3 388.555 3.039 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)o1 ZINC000433884789 567281119 /nfs/dbraw/zinc/28/11/19/567281119.db2.gz KRFDZSCNYBPKAC-CQSZACIVSA-N -1 3 387.885 3.478 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1nc(C)cs1 ZINC000591399064 567281358 /nfs/dbraw/zinc/28/13/58/567281358.db2.gz QNLXTKCAORYTLX-GFCCVEGCSA-N -1 3 399.925 3.419 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3C)s1 ZINC000591399587 567281740 /nfs/dbraw/zinc/28/17/40/567281740.db2.gz RPGLQDCLDUYWBQ-WBMJQRKESA-N -1 3 378.519 3.219 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(C(F)F)cc1)c1ccc(Cl)s1 ZINC000525989627 567282227 /nfs/dbraw/zinc/28/22/27/567282227.db2.gz VJEWVVJKORTULD-UHFFFAOYSA-N -1 3 380.869 3.407 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(Br)c1 ZINC000526004830 567282418 /nfs/dbraw/zinc/28/24/18/567282418.db2.gz XNJUGTRPIDPDDS-UHFFFAOYSA-N -1 3 376.203 3.103 20 0 GGADHM CO[C@@]1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000526025522 567283552 /nfs/dbraw/zinc/28/35/52/567283552.db2.gz OSMAPKMCPBFKEV-SFHVURJKSA-N -1 3 393.281 3.322 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000526037216 567285181 /nfs/dbraw/zinc/28/51/81/567285181.db2.gz CTVGLQSCWIMLER-UXIGCNINSA-N -1 3 398.937 3.131 20 0 GGADHM C[C@@H](CC(C)(C)C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000455626258 567287321 /nfs/dbraw/zinc/28/73/21/567287321.db2.gz NAKQWLRCZVKDNV-ZDUSSCGKSA-N -1 3 387.571 3.025 20 0 GGADHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000526068689 567289528 /nfs/dbraw/zinc/28/95/28/567289528.db2.gz ONLONYMTCAPVEP-ZCFIWIBFSA-N -1 3 380.779 3.089 20 0 GGADHM CCC1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000617193038 567290064 /nfs/dbraw/zinc/29/00/64/567290064.db2.gz HDPSFBLZMUZJCM-UHFFFAOYSA-N -1 3 393.336 3.310 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000500002717 567290835 /nfs/dbraw/zinc/29/08/35/567290835.db2.gz BLYSYYOIMGFJHK-DTWKUNHWSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000500002717 567290840 /nfs/dbraw/zinc/29/08/40/567290840.db2.gz BLYSYYOIMGFJHK-DTWKUNHWSA-N -1 3 375.148 3.328 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c(C)o1 ZINC000434216021 567298253 /nfs/dbraw/zinc/29/82/53/567298253.db2.gz JPVDOTYISYIIJW-UHFFFAOYSA-N -1 3 391.276 3.075 20 0 GGADHM CCOC(=O)Cn1cnc([N-]C(=O)c2sc3cc(C)ccc3c2Cl)n1 ZINC000591808071 567298973 /nfs/dbraw/zinc/29/89/73/567298973.db2.gz YOCUEYJXKZIPGY-UHFFFAOYSA-N -1 3 378.841 3.270 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccc2nn[n-]c21 ZINC000526941323 567299381 /nfs/dbraw/zinc/29/93/81/567299381.db2.gz AKMQOKRXDYWXJV-IINYFYTJSA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccc2[n-]nnc21 ZINC000526941323 567299384 /nfs/dbraw/zinc/29/93/84/567299384.db2.gz AKMQOKRXDYWXJV-IINYFYTJSA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccc2n[n-]nc21 ZINC000526941323 567299392 /nfs/dbraw/zinc/29/93/92/567299392.db2.gz AKMQOKRXDYWXJV-IINYFYTJSA-N -1 3 375.201 3.145 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)cc1Cl ZINC000591817603 567299839 /nfs/dbraw/zinc/29/98/39/567299839.db2.gz GUXADVLGDDGZPR-SSDOTTSWSA-N -1 3 396.214 3.248 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCC(C)CC2)cc1Cl ZINC000591817209 567299889 /nfs/dbraw/zinc/29/98/89/567299889.db2.gz ZAYZJLYJKKNNLP-UHFFFAOYSA-N -1 3 381.325 3.012 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000591817257 567300086 /nfs/dbraw/zinc/30/00/86/567300086.db2.gz BBZBUNFFKUBDIG-TXEJJXNPSA-N -1 3 378.460 3.139 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@H](C)C2)cc1 ZINC000476144227 567300085 /nfs/dbraw/zinc/30/00/85/567300085.db2.gz IWXLGADIZDLMFO-HNNXBMFYSA-N -1 3 388.555 3.039 20 0 GGADHM CCCSc1nc(=NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)s[n-]1 ZINC000476153932 567300383 /nfs/dbraw/zinc/30/03/83/567300383.db2.gz NIDYDAFPPRRPAC-JSGCOSHPSA-N -1 3 379.555 3.275 20 0 GGADHM CC[C@H](C)CS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000476142739 567300451 /nfs/dbraw/zinc/30/04/51/567300451.db2.gz JNSKCAOXPDQXNW-ZUZCIYMTSA-N -1 3 382.309 3.347 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000500113513 567300974 /nfs/dbraw/zinc/30/09/74/567300974.db2.gz VUBJCMVAFWDEOU-NSHDSACASA-N -1 3 381.361 3.053 20 0 GGADHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476171591 567301454 /nfs/dbraw/zinc/30/14/54/567301454.db2.gz RCAQTNIYAHHWPC-CABZTGNLSA-N -1 3 376.400 3.297 20 0 GGADHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000476165614 567301581 /nfs/dbraw/zinc/30/15/81/567301581.db2.gz URCOVEGMHOBZBN-INIZCTEOSA-N -1 3 388.272 3.360 20 0 GGADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000476165617 567301745 /nfs/dbraw/zinc/30/17/45/567301745.db2.gz URCOVEGMHOBZBN-MRXNPFEDSA-N -1 3 388.272 3.360 20 0 GGADHM CN(C)C(=O)C1(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)CCCC1 ZINC000500152166 567302121 /nfs/dbraw/zinc/30/21/21/567302121.db2.gz BGNTUZNXZWFYQI-UHFFFAOYSA-N -1 3 393.336 3.061 20 0 GGADHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476171594 567302200 /nfs/dbraw/zinc/30/22/00/567302200.db2.gz RCAQTNIYAHHWPC-JOYOIKCWSA-N -1 3 376.400 3.297 20 0 GGADHM COC(=O)[C@@](C)([N-]S(=O)(=O)CC1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000476174017 567302277 /nfs/dbraw/zinc/30/22/77/567302277.db2.gz YULHXSZZTRYGQY-HNNXBMFYSA-N -1 3 380.293 3.101 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000476204770 567304787 /nfs/dbraw/zinc/30/47/87/567304787.db2.gz OHOCOUAUZZHEMR-UHFFFAOYSA-N -1 3 380.491 3.401 20 0 GGADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000548303130 567305306 /nfs/dbraw/zinc/30/53/06/567305306.db2.gz MPNWGVUNNJBWKJ-MRVPVSSYSA-N -1 3 378.807 3.158 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)s2)nc2cccc(Cl)c21 ZINC000476204390 567305351 /nfs/dbraw/zinc/30/53/51/567305351.db2.gz UXJCORBAHOYOKI-UHFFFAOYSA-N -1 3 376.290 3.420 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c1 ZINC000527020484 567306235 /nfs/dbraw/zinc/30/62/35/567306235.db2.gz RZMMLCXQXRSLIZ-ZYHUDNBSSA-N -1 3 395.278 3.461 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC000527042796 567308218 /nfs/dbraw/zinc/30/82/18/567308218.db2.gz MBIUCNNCPUDODC-GFCCVEGCSA-N -1 3 375.918 3.468 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1C ZINC000548370751 567310782 /nfs/dbraw/zinc/31/07/82/567310782.db2.gz PWBJSFWGQFFAJG-UHFFFAOYSA-N -1 3 379.379 3.156 20 0 GGADHM Cc1cc(C(=O)NC(C)(C)COc2ncccc2Br)ccc1[O-] ZINC000500298937 567312633 /nfs/dbraw/zinc/31/26/33/567312633.db2.gz RXLPGINUDRUIJG-UHFFFAOYSA-N -1 3 379.254 3.446 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000568232370 567314058 /nfs/dbraw/zinc/31/40/58/567314058.db2.gz NDSZTRBTMIYMCC-UHFFFAOYSA-N -1 3 380.275 3.375 20 0 GGADHM COC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])C1CCCCC1 ZINC000548405282 567314228 /nfs/dbraw/zinc/31/42/28/567314228.db2.gz JJXOJXIYDMGBQC-OAHLLOKOSA-N -1 3 398.297 3.325 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000476331018 567316091 /nfs/dbraw/zinc/31/60/91/567316091.db2.gz BWVAYCATYIIHPU-AWEZNQCLSA-N -1 3 388.258 3.254 20 0 GGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000548449080 567316862 /nfs/dbraw/zinc/31/68/62/567316862.db2.gz FXRBJBNQQGUKCD-ZDUSSCGKSA-N -1 3 378.475 3.155 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2cnc(COC)s2)nc1C(F)(F)F ZINC000568274282 567317008 /nfs/dbraw/zinc/31/70/08/567317008.db2.gz BCRGCOHVTSTNCL-UHFFFAOYSA-N -1 3 395.384 3.194 20 0 GGADHM O=S(=O)(C[C@H]1CCCO1)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000548449079 567317118 /nfs/dbraw/zinc/31/71/18/567317118.db2.gz FXRBJBNQQGUKCD-CYBMUJFWSA-N -1 3 378.475 3.155 20 0 GGADHM Cc1noc(CCC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000500415731 567318719 /nfs/dbraw/zinc/31/87/19/567318719.db2.gz LVXAVBKRONWAPM-UHFFFAOYSA-N -1 3 398.897 3.066 20 0 GGADHM COc1cc(Br)ccc1CCCN1CCC(c2n[n-]c(=N)o2)CC1 ZINC000639740982 567319754 /nfs/dbraw/zinc/31/97/54/567319754.db2.gz YWJVDMNWVMQNHX-UHFFFAOYSA-N -1 3 395.301 3.065 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500427511 567320660 /nfs/dbraw/zinc/32/06/60/567320660.db2.gz JTOGOGIKUIJPKI-UHFFFAOYSA-N -1 3 396.925 3.337 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)Cn1cccn1 ZINC000500425224 567320812 /nfs/dbraw/zinc/32/08/12/567320812.db2.gz XJSPKRWRNBVUGD-GFCCVEGCSA-N -1 3 396.925 3.275 20 0 GGADHM Cc1nccc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000500435134 567321348 /nfs/dbraw/zinc/32/13/48/567321348.db2.gz UPQNVZOYXFRBFY-UHFFFAOYSA-N -1 3 380.882 3.040 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCc2ccccc2C1 ZINC000500428621 567321383 /nfs/dbraw/zinc/32/13/83/567321383.db2.gz LNFPBLUBVHKVOR-ZDUSSCGKSA-N -1 3 382.888 3.204 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@H]1C ZINC000500431805 567321399 /nfs/dbraw/zinc/32/13/99/567321399.db2.gz ZDJWQSMEQDOBFV-CABCVRRESA-N -1 3 379.551 3.351 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000476407926 567321629 /nfs/dbraw/zinc/32/16/29/567321629.db2.gz JDDHOMBPGPBGLP-UHFFFAOYSA-N -1 3 375.368 3.186 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500438913 567322320 /nfs/dbraw/zinc/32/23/20/567322320.db2.gz ILGCVANHFNNUBK-UHFFFAOYSA-N -1 3 379.894 3.380 20 0 GGADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476423136 567322615 /nfs/dbraw/zinc/32/26/15/567322615.db2.gz JXABMILQPUWCFM-UHFFFAOYSA-N -1 3 390.795 3.386 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500449282 567322879 /nfs/dbraw/zinc/32/28/79/567322879.db2.gz YHPSFCGNQQFKBS-UHFFFAOYSA-N -1 3 375.475 3.082 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccsc1 ZINC000500444512 567323058 /nfs/dbraw/zinc/32/30/58/567323058.db2.gz BFPMEWICSLUBNE-HNNXBMFYSA-N -1 3 393.559 3.453 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000660749643 567323592 /nfs/dbraw/zinc/32/35/92/567323592.db2.gz YPUTYTAGNYHPNV-UHFFFAOYSA-N -1 3 393.285 3.025 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000660746991 567324812 /nfs/dbraw/zinc/32/48/12/567324812.db2.gz DJSXTXDCWZLVOJ-UHFFFAOYSA-N -1 3 393.285 3.025 20 0 GGADHM CC[C@@H]1CCCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000476445875 567324793 /nfs/dbraw/zinc/32/47/93/567324793.db2.gz GJKYQOMLOOITBX-NEPJUHHUSA-N -1 3 378.947 3.012 20 0 GGADHM O=S(=O)([N-]c1cc(Cl)ccc1-c1nc(C2CC2)no1)N1CCCCC1 ZINC000476434375 567324814 /nfs/dbraw/zinc/32/48/14/567324814.db2.gz XAKSCUWTWLRKLR-UHFFFAOYSA-N -1 3 382.873 3.410 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1ccc(F)cc1C(F)(F)F ZINC000434756900 567326553 /nfs/dbraw/zinc/32/65/53/567326553.db2.gz DPORXMYUPPPWSF-ZDUSSCGKSA-N -1 3 380.407 3.140 20 0 GGADHM CC(C)(C)CC[C@@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000527280736 567326815 /nfs/dbraw/zinc/32/68/15/567326815.db2.gz HCQCUFPFCCVMRE-LBPRGKRZSA-N -1 3 395.297 3.208 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000527292855 567328529 /nfs/dbraw/zinc/32/85/29/567328529.db2.gz SRBNQNNUPUTDQE-LBPRGKRZSA-N -1 3 387.929 3.468 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476504715 567329343 /nfs/dbraw/zinc/32/93/43/567329343.db2.gz KEXBUZPXSHLGIF-RISCZKNCSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476505788 567329612 /nfs/dbraw/zinc/32/96/12/567329612.db2.gz FNIYMJNKEJZPHU-CHWSQXEVSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)CN(Cc1ccccc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000500524849 567329493 /nfs/dbraw/zinc/32/94/93/567329493.db2.gz WWIOYJLIPXSGHP-UHFFFAOYSA-N -1 3 380.535 3.101 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C(C)(C)O1 ZINC000476505024 567329739 /nfs/dbraw/zinc/32/97/39/567329739.db2.gz JVNNSSYAZPNBSF-LBPRGKRZSA-N -1 3 380.279 3.213 20 0 GGADHM Cc1cc(Br)cc(C)c1NC(=O)CCCN(C)Cc1n[n-]c(=O)o1 ZINC000660843993 567330149 /nfs/dbraw/zinc/33/01/49/567330149.db2.gz CXUIXBFYSHOTQM-UHFFFAOYSA-N -1 3 397.273 3.005 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c(I)c1)C(C)C ZINC000592350562 567330809 /nfs/dbraw/zinc/33/08/09/567330809.db2.gz SDYIOYVBLNNQFR-ZDUSSCGKSA-N -1 3 397.278 3.012 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1)C(C)C ZINC000592350892 567331158 /nfs/dbraw/zinc/33/11/58/567331158.db2.gz RNXXZUAODLOWNG-QMHKHESXSA-N -1 3 375.556 3.147 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1cc(Br)ccc1F ZINC000500604559 567333291 /nfs/dbraw/zinc/33/32/91/567333291.db2.gz QUAVMVPFWANXMF-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cc(Br)ccc3F)nc2c1 ZINC000500604879 567333385 /nfs/dbraw/zinc/33/33/85/567333385.db2.gz RSFREQZVZDMGDQ-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000476563511 567334983 /nfs/dbraw/zinc/33/49/83/567334983.db2.gz DXNBDWJXAPPVLZ-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@H]12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000527372036 567334543 /nfs/dbraw/zinc/33/45/43/567334543.db2.gz LGLSVAQEFBLQJM-MGPQQGTHSA-N -1 3 384.910 3.309 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@H]12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000527372035 567334844 /nfs/dbraw/zinc/33/48/44/567334844.db2.gz LGLSVAQEFBLQJM-MCIONIFRSA-N -1 3 384.910 3.309 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000500642573 567335718 /nfs/dbraw/zinc/33/57/18/567335718.db2.gz RSZSAFJSJOYQEX-UHFFFAOYSA-N -1 3 387.274 3.003 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]Cc3csc4ccccc34)cnc2c1Cl ZINC000500651156 567336075 /nfs/dbraw/zinc/33/60/75/567336075.db2.gz MUACKYSYVRTWDH-UHFFFAOYSA-N -1 3 392.893 3.384 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]CCCc3cccc(Cl)c3)cnc2c1Cl ZINC000500655758 567337441 /nfs/dbraw/zinc/33/74/41/567337441.db2.gz ZHANKZJRMTUCMC-UHFFFAOYSA-N -1 3 399.303 3.256 20 0 GGADHM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)cn1 ZINC000476577448 567337474 /nfs/dbraw/zinc/33/74/74/567337474.db2.gz GODBKRJJUKRKFU-SECBINFHSA-N -1 3 397.806 3.011 20 0 GGADHM O=C(NCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000500680150 567338674 /nfs/dbraw/zinc/33/86/74/567338674.db2.gz RSCLZRCDLFQJHV-UHFFFAOYSA-N -1 3 393.317 3.153 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2CC)cc1 ZINC000476604217 567338788 /nfs/dbraw/zinc/33/87/88/567338788.db2.gz UCZGDMHGWBQMQC-YOEHRIQHSA-N -1 3 388.555 3.038 20 0 GGADHM CCCc1nc(=NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)s[n-]1 ZINC000568568031 567339190 /nfs/dbraw/zinc/33/91/90/567339190.db2.gz BYCFLZCNFAAMFB-CYBMUJFWSA-N -1 3 379.555 3.008 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000568571461 567339267 /nfs/dbraw/zinc/33/92/67/567339267.db2.gz XIHQEEYJHAUBAE-NSHDSACASA-N -1 3 393.818 3.017 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000476605672 567339859 /nfs/dbraw/zinc/33/98/59/567339859.db2.gz ZBOVQZPNBVZHED-UHFFFAOYSA-N -1 3 382.825 3.218 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)c2c1OCCC2 ZINC000527500460 567339820 /nfs/dbraw/zinc/33/98/20/567339820.db2.gz UJTUGPPCHSKYLW-CQSZACIVSA-N -1 3 392.253 3.023 20 0 GGADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC(C)(C)O1 ZINC000527490227 567340039 /nfs/dbraw/zinc/34/00/39/567340039.db2.gz HCWCXJLOROOHSD-UHFFFAOYSA-N -1 3 393.281 3.320 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2[O-])N(C)C)cc1 ZINC000592452734 567340526 /nfs/dbraw/zinc/34/05/26/567340526.db2.gz VROXNQPEROJNLM-MRXNPFEDSA-N -1 3 377.282 3.496 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2[O-])N(C)C)cc1 ZINC000592452733 567340551 /nfs/dbraw/zinc/34/05/51/567340551.db2.gz VROXNQPEROJNLM-INIZCTEOSA-N -1 3 377.282 3.496 20 0 GGADHM COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000456108291 567341683 /nfs/dbraw/zinc/34/16/83/567341683.db2.gz UAPKTVFHFFHHJE-MRXNPFEDSA-N -1 3 394.265 3.277 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(F)(F)F ZINC000476638808 567341797 /nfs/dbraw/zinc/34/17/97/567341797.db2.gz QPXQAMPIKFKDIR-JTQLQIEISA-N -1 3 389.823 3.232 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c(Cl)c1Cl ZINC000568592917 567342174 /nfs/dbraw/zinc/34/21/74/567342174.db2.gz CNBLMAMSCPQCEE-UHFFFAOYSA-N -1 3 377.249 3.346 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)C2(c3ccc(Br)cc3)CCC2)[n-]1 ZINC000617871430 567342542 /nfs/dbraw/zinc/34/25/42/567342542.db2.gz ARLMXHDQFWFQDZ-UHFFFAOYSA-N -1 3 392.253 3.409 20 0 GGADHM CCOC(=O)c1nc(NC(=O)C2(c3ccc(Br)cc3)CCC2)c[n-]1 ZINC000617871430 567342545 /nfs/dbraw/zinc/34/25/45/567342545.db2.gz ARLMXHDQFWFQDZ-UHFFFAOYSA-N -1 3 392.253 3.409 20 0 GGADHM CSc1nc(=NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)s[n-]1 ZINC000476670490 567344088 /nfs/dbraw/zinc/34/40/88/567344088.db2.gz ZCSCFNJOZJUNEI-GFCCVEGCSA-N -1 3 397.595 3.338 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCCc4ccccc43)cnc2c1Cl ZINC000500820433 567346233 /nfs/dbraw/zinc/34/62/33/567346233.db2.gz ZFHXHYKIHMSGEQ-OAHLLOKOSA-N -1 3 376.869 3.047 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C12CCC2 ZINC000435221915 567349926 /nfs/dbraw/zinc/34/99/26/567349926.db2.gz FALWXLGANDBYDI-KGLIPLIRSA-N -1 3 392.290 3.214 20 0 GGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3cc(F)ccc3Br)cn21 ZINC000435223168 567350580 /nfs/dbraw/zinc/35/05/80/567350580.db2.gz QTMBUDQPLYUXJO-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435226106 567350779 /nfs/dbraw/zinc/35/07/79/567350779.db2.gz KPYICMBFMXPTRD-SMDDNHRTSA-N -1 3 394.306 3.462 20 0 GGADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(F)ccc1Br ZINC000435230155 567350841 /nfs/dbraw/zinc/35/08/41/567350841.db2.gz ODXBPAFBZLLLLP-VBQJREDUSA-N -1 3 396.281 3.452 20 0 GGADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1(C)C ZINC000435226606 567350896 /nfs/dbraw/zinc/35/08/96/567350896.db2.gz PKNWXMGHOSTJSB-OCCSQVGLSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435226103 567350986 /nfs/dbraw/zinc/35/09/86/567350986.db2.gz KPYICMBFMXPTRD-BXUZGUMPSA-N -1 3 394.306 3.462 20 0 GGADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1(C)C ZINC000435226607 567351352 /nfs/dbraw/zinc/35/13/52/567351352.db2.gz PKNWXMGHOSTJSB-TZMCWYRMSA-N -1 3 380.279 3.070 20 0 GGADHM Cc1ncc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000500877731 567351728 /nfs/dbraw/zinc/35/17/28/567351728.db2.gz WVEQQJQTNFZMIX-UHFFFAOYSA-N -1 3 394.305 3.065 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000548805753 567352103 /nfs/dbraw/zinc/35/21/03/567352103.db2.gz JAAHTKYTEOCYGT-ZDUSSCGKSA-N -1 3 385.265 3.425 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000548805753 567352108 /nfs/dbraw/zinc/35/21/08/567352108.db2.gz JAAHTKYTEOCYGT-ZDUSSCGKSA-N -1 3 385.265 3.425 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000548805753 567352113 /nfs/dbraw/zinc/35/21/13/567352113.db2.gz JAAHTKYTEOCYGT-ZDUSSCGKSA-N -1 3 385.265 3.425 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]CC(C)(C)c3cccs3)cnc2c1Cl ZINC000500929459 567354386 /nfs/dbraw/zinc/35/43/86/567354386.db2.gz JIMTYTPHIMDVLO-UHFFFAOYSA-N -1 3 384.914 3.009 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c3ccccc3)cnc2c1Cl ZINC000500955825 567355503 /nfs/dbraw/zinc/35/55/03/567355503.db2.gz SXGIAEHQXGILCA-VXGBXAGGSA-N -1 3 378.885 3.162 20 0 GGADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(F)cc3Cl)C2)c1 ZINC000476934927 567358418 /nfs/dbraw/zinc/35/84/18/567358418.db2.gz SSBVJIAFMSRRDJ-ZDUSSCGKSA-N -1 3 384.860 3.045 20 0 GGADHM O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000501022725 567358781 /nfs/dbraw/zinc/35/87/81/567358781.db2.gz RUAHLFKLHMWXSX-UHFFFAOYSA-N -1 3 393.974 3.373 20 0 GGADHM COc1cccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c1[O-] ZINC000618180300 567359591 /nfs/dbraw/zinc/35/95/91/567359591.db2.gz YNCRFLJFAXMPNI-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c[n-]1 ZINC000501043216 567359488 /nfs/dbraw/zinc/35/94/88/567359488.db2.gz JGXXHKAQKUSVPC-UHFFFAOYSA-N -1 3 380.788 3.365 20 0 GGADHM COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000618180035 567359779 /nfs/dbraw/zinc/35/97/79/567359779.db2.gz QJCBXQCZJVXCLV-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM Cc1sc(NC(=O)C[N-]S(=O)(=O)c2cccs2)nc1-c1ccccc1 ZINC000618170662 567360324 /nfs/dbraw/zinc/36/03/24/567360324.db2.gz GYGDYPQNTPGPOL-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM COc1ccccc1CN(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291421 567360955 /nfs/dbraw/zinc/36/09/55/567360955.db2.gz YDAMKGVGGOCKFT-UHFFFAOYSA-N -1 3 376.766 3.193 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1Br ZINC000501062022 567361454 /nfs/dbraw/zinc/36/14/54/567361454.db2.gz WVTRDDZNDINBMS-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CC[C@](C)(NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nccs1 ZINC000640291388 567361525 /nfs/dbraw/zinc/36/15/25/567361525.db2.gz AUBWVLCUSXXOCA-LBPRGKRZSA-N -1 3 381.811 3.424 20 0 GGADHM O=C([N-]CC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000501055073 567361612 /nfs/dbraw/zinc/36/16/12/567361612.db2.gz RSYCZFVYGLWTAT-UHFFFAOYSA-N -1 3 393.081 3.085 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)C[C@@H](C)n2cc(Br)cn2)c([O-])c1 ZINC000592780561 567361861 /nfs/dbraw/zinc/36/18/61/567361861.db2.gz MUZGWIFLKBYVTE-SNVBAGLBSA-N -1 3 396.241 3.118 20 0 GGADHM Cn1cccc1[C@@H]1CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291884 567362432 /nfs/dbraw/zinc/36/24/32/567362432.db2.gz FBXKBLQOIMVXGV-LBPRGKRZSA-N -1 3 375.782 3.228 20 0 GGADHM COc1cccc([C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640292980 567362784 /nfs/dbraw/zinc/36/27/84/567362784.db2.gz RJJWQISYHNXBDM-SECBINFHSA-N -1 3 376.766 3.412 20 0 GGADHM CCOc1ccccc1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291939 567363294 /nfs/dbraw/zinc/36/32/94/567363294.db2.gz GANBOWVXSBZXIY-UHFFFAOYSA-N -1 3 376.766 3.241 20 0 GGADHM COC[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000640293173 567363378 /nfs/dbraw/zinc/36/33/78/567363378.db2.gz RNRHUWPXEYXMDE-LBPRGKRZSA-N -1 3 376.766 3.030 20 0 GGADHM CN(Cc1cc(Cl)cn1C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640294308 567363531 /nfs/dbraw/zinc/36/35/31/567363531.db2.gz CIFUJTXRACQEJO-UHFFFAOYSA-N -1 3 384.189 3.177 20 0 GGADHM CC[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1c(C)noc1C ZINC000640296768 567363962 /nfs/dbraw/zinc/36/39/62/567363962.db2.gz QGZRYEYUGBIDNE-JTQLQIEISA-N -1 3 379.770 3.398 20 0 GGADHM CC(C)(CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccn1 ZINC000640296433 567364049 /nfs/dbraw/zinc/36/40/49/567364049.db2.gz CQFMMNVDFZJWJV-UHFFFAOYSA-N -1 3 375.782 3.015 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@]2(CCSC2)C1 ZINC000640296409 567364328 /nfs/dbraw/zinc/36/43/28/567364328.db2.gz CBRVDYZZNLKUNN-CYBMUJFWSA-N -1 3 382.839 3.272 20 0 GGADHM Cc1cc(F)ccc1CCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295167 567364365 /nfs/dbraw/zinc/36/43/65/567364365.db2.gz QDNPTLYFADCWKF-UHFFFAOYSA-N -1 3 378.757 3.332 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(C(F)(F)F)cn1 ZINC000435430668 567364489 /nfs/dbraw/zinc/36/44/89/567364489.db2.gz DPDWHFRYCVVUIC-BXKDBHETSA-N -1 3 378.322 3.213 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1COc2c1cccc2Cl ZINC000640295283 567364526 /nfs/dbraw/zinc/36/45/26/567364526.db2.gz TVRASQGVGDAHIH-JTQLQIEISA-N -1 3 395.168 3.429 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640295181 567364867 /nfs/dbraw/zinc/36/48/67/567364867.db2.gz QLPBDKJCTPYXNO-GHMZBOCLSA-N -1 3 382.814 3.188 20 0 GGADHM CC(C)(CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccncc1 ZINC000640296729 567365011 /nfs/dbraw/zinc/36/50/11/567365011.db2.gz PTDYZIFEUWLLAZ-UHFFFAOYSA-N -1 3 375.782 3.015 20 0 GGADHM CC1(CC(F)(F)F)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640297997 567365586 /nfs/dbraw/zinc/36/55/86/567365586.db2.gz JVONFQOICZIVFU-UHFFFAOYSA-N -1 3 378.704 3.327 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCCC[C@H]1c1cc[nH]n1 ZINC000640303163 567365609 /nfs/dbraw/zinc/36/56/09/567365609.db2.gz XVLWWFXONQZWII-NSHDSACASA-N -1 3 376.770 3.003 20 0 GGADHM C[C@H](NC(=O)N=c1[n-]n(C)cc1Br)c1cccc(OC(F)F)c1 ZINC000640308309 567365978 /nfs/dbraw/zinc/36/59/78/567365978.db2.gz NYUJYMSQOOJMRB-QMMMGPOBSA-N -1 3 389.200 3.089 20 0 GGADHM CO[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCCCC1 ZINC000640303271 567366006 /nfs/dbraw/zinc/36/60/06/567366006.db2.gz SDIQNSXHYSJOFB-GFCCVEGCSA-N -1 3 382.814 3.238 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cn1 ZINC000548986015 567366085 /nfs/dbraw/zinc/36/60/85/567366085.db2.gz HLJGFNVSNYWAHA-UHFFFAOYSA-N -1 3 377.535 3.048 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1Cc2cc(F)c(F)cc2C1 ZINC000640302331 567366353 /nfs/dbraw/zinc/36/63/53/567366353.db2.gz LFWNCMJPYWATMD-UHFFFAOYSA-N -1 3 380.704 3.347 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000435435088 567366324 /nfs/dbraw/zinc/36/63/24/567366324.db2.gz WQFVFSOKCOEDPR-LSDHHAIUSA-N -1 3 383.828 3.100 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)cc1Cl ZINC000592821582 567366550 /nfs/dbraw/zinc/36/65/50/567366550.db2.gz CAXBVIWMFUMMHE-NSHDSACASA-N -1 3 393.336 3.297 20 0 GGADHM COc1ccc([C@H](NC(=O)N=c2[n-]n(C)cc2Br)C(C)C)cc1 ZINC000640308091 567366523 /nfs/dbraw/zinc/36/65/23/567366523.db2.gz LHZIVAHSYCQXAV-CQSZACIVSA-N -1 3 381.274 3.132 20 0 GGADHM C[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1c(F)cncc1F ZINC000640300146 567366603 /nfs/dbraw/zinc/36/66/03/567366603.db2.gz DYRJIEFQECBTPS-LURJTMIESA-N -1 3 383.708 3.077 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCSC2(CCC2)CC1 ZINC000640299894 567366639 /nfs/dbraw/zinc/36/66/39/567366639.db2.gz WVECACUKAOOVGI-UHFFFAOYSA-N -1 3 382.839 3.414 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000435434816 567366790 /nfs/dbraw/zinc/36/67/90/567366790.db2.gz ZSXSODCOPLHKLS-BXKDBHETSA-N -1 3 389.857 3.162 20 0 GGADHM Cc1noc(C)c1C(C)(C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640302311 567366895 /nfs/dbraw/zinc/36/68/95/567366895.db2.gz POAPCQHZMFBKAJ-UHFFFAOYSA-N -1 3 379.770 3.182 20 0 GGADHM CCC(O)(CC)C(C)(C)CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640304049 567367017 /nfs/dbraw/zinc/36/70/17/567367017.db2.gz ZCTWMHAHXWCIAF-UHFFFAOYSA-N -1 3 384.830 3.220 20 0 GGADHM CC(C)Oc1cccc([C@H](C)NC(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640307670 567367047 /nfs/dbraw/zinc/36/70/47/567367047.db2.gz GOJQSGDTZPNZEN-NSHDSACASA-N -1 3 381.274 3.274 20 0 GGADHM C[C@@H]1CC(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C[C@@H](C)O1 ZINC000640300097 567367075 /nfs/dbraw/zinc/36/70/75/567367075.db2.gz DSWPIFZCJJJNEV-NXEZZACHSA-N -1 3 382.814 3.236 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)CCC(C)C)c1 ZINC000501122855 567367364 /nfs/dbraw/zinc/36/73/64/567367364.db2.gz TVZMJGWYXQKIPH-LBPRGKRZSA-N -1 3 375.462 3.114 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N[C@@H]2CCSc3c(F)cccc32)[n-]1 ZINC000640309368 567367462 /nfs/dbraw/zinc/36/74/62/567367462.db2.gz YMTFODICTINRPF-LLVKDONJSA-N -1 3 385.262 3.102 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309527 567367556 /nfs/dbraw/zinc/36/75/56/567367556.db2.gz JWOFQRYCCBXBSZ-QWHCGFSZSA-N -1 3 377.286 3.323 20 0 GGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640309289 567367652 /nfs/dbraw/zinc/36/76/52/567367652.db2.gz XTJVGJGJHHQYKU-VIFPVBQESA-N -1 3 394.298 3.439 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)[n-]1 ZINC000640309141 567367824 /nfs/dbraw/zinc/36/78/24/567367824.db2.gz GSVGASCGQGWVCU-DTWKUNHWSA-N -1 3 383.212 3.095 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)cc1Cl ZINC000435439813 567367827 /nfs/dbraw/zinc/36/78/27/567367827.db2.gz XCZMDGHDLSMPRH-LLVKDONJSA-N -1 3 381.325 3.153 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCCC[C@H]2Cc2ccccc2)[n-]1 ZINC000640310175 567368013 /nfs/dbraw/zinc/36/80/13/567368013.db2.gz VLWWXGUXSMUGQF-AWEZNQCLSA-N -1 3 377.286 3.234 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640310552 567368032 /nfs/dbraw/zinc/36/80/32/567368032.db2.gz QSRMRRLUVMHEDQ-GXTWGEPZSA-N -1 3 377.286 3.090 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)N=c1[n-]n(C)cc1Br ZINC000640309096 567368177 /nfs/dbraw/zinc/36/81/77/567368177.db2.gz WYUVTRDOHYEDRT-LLVKDONJSA-N -1 3 381.274 3.274 20 0 GGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640310911 567368569 /nfs/dbraw/zinc/36/85/69/567368569.db2.gz FOMHIHXAEUTYAX-QMMMGPOBSA-N -1 3 385.212 3.034 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)[n-]1 ZINC000640310813 567368675 /nfs/dbraw/zinc/36/86/75/567368675.db2.gz DBMCFYWWPNJRPS-RKDXNWHRSA-N -1 3 383.212 3.095 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000501160536 567369312 /nfs/dbraw/zinc/36/93/12/567369312.db2.gz BUFCEMFBWPZLBW-CYBMUJFWSA-N -1 3 378.252 3.014 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(Cl)c1 ZINC000477087062 567369662 /nfs/dbraw/zinc/36/96/62/567369662.db2.gz JDPMMEDJAMROQZ-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(Cl)c1 ZINC000477087062 567369669 /nfs/dbraw/zinc/36/96/69/567369669.db2.gz JDPMMEDJAMROQZ-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@]2(C)Cc2ccccc2)[n-]1 ZINC000640313603 567370241 /nfs/dbraw/zinc/37/02/41/567370241.db2.gz YQTZAGFAIYEUQU-QGZVFWFLSA-N -1 3 377.286 3.234 20 0 GGADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc([O-])cc(Br)c1 ZINC000527731776 567370294 /nfs/dbraw/zinc/37/02/94/567370294.db2.gz WOZCJXOQMQNPIP-MRXNPFEDSA-N -1 3 375.266 3.159 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(c3cccc(F)c3F)CC2)[n-]1 ZINC000640313327 567370275 /nfs/dbraw/zinc/37/02/75/567370275.db2.gz ILZACBSBKNKITA-UHFFFAOYSA-N -1 3 399.239 3.294 20 0 GGADHM COc1cc2nc([N-]S(=O)(=O)Cc3cccc(Cl)c3)[nH]c2cc1OC ZINC000569031018 567373357 /nfs/dbraw/zinc/37/33/57/567373357.db2.gz PCAGCCJUABJRKJ-UHFFFAOYSA-N -1 3 381.841 3.175 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)s1 ZINC000569035292 567373376 /nfs/dbraw/zinc/37/33/76/567373376.db2.gz UXFGOQJJEAKFRJ-QMMMGPOBSA-N -1 3 383.426 3.026 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)sc1Br ZINC000477131747 567373679 /nfs/dbraw/zinc/37/36/79/567373679.db2.gz AYUXAWPJNUHUGO-KWCYVHTRSA-N -1 3 384.320 3.436 20 0 GGADHM COc1cnc([N-]C(=O)c2cc(-c3cccnc3)on2)c(Br)c1 ZINC000569050956 567374828 /nfs/dbraw/zinc/37/48/28/567374828.db2.gz WHCKBNCKHHEQHT-UHFFFAOYSA-N -1 3 375.182 3.155 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 ZINC000435586323 567375101 /nfs/dbraw/zinc/37/51/01/567375101.db2.gz XHLMSKYXXUUVFB-YPFXGUDJSA-N -1 3 387.429 3.037 20 0 GGADHM COC[C@@]1(NCc2cccc([O-])c2Br)COc2ccccc2C1 ZINC000527797206 567375392 /nfs/dbraw/zinc/37/53/92/567375392.db2.gz ADNRUISKKNXUHR-GOSISDBHSA-N -1 3 378.266 3.265 20 0 GGADHM Cc1ccc2c(NCC[N-]S(=O)(=O)c3ccc(Cl)s3)ccnc2n1 ZINC000435570810 567375689 /nfs/dbraw/zinc/37/56/89/567375689.db2.gz PDAUBJHMJGGIOE-UHFFFAOYSA-N -1 3 382.898 3.044 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)s1 ZINC000477153933 567376121 /nfs/dbraw/zinc/37/61/21/567376121.db2.gz TVSZGASNHDUKGB-KWCYVHTRSA-N -1 3 384.320 3.436 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)c1cccc2cccc(Br)c21 ZINC000501278653 567376519 /nfs/dbraw/zinc/37/65/19/567376519.db2.gz ZLIGTILMXXSBPL-UHFFFAOYSA-N -1 3 393.266 3.057 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)c1cccc2cccc(Br)c21 ZINC000501278653 567376523 /nfs/dbraw/zinc/37/65/23/567376523.db2.gz ZLIGTILMXXSBPL-UHFFFAOYSA-N -1 3 393.266 3.057 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1cccc2cccc(Br)c21 ZINC000501278653 567376528 /nfs/dbraw/zinc/37/65/28/567376528.db2.gz ZLIGTILMXXSBPL-UHFFFAOYSA-N -1 3 393.266 3.057 20 0 GGADHM CCSCc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000456469757 567376747 /nfs/dbraw/zinc/37/67/47/567376747.db2.gz IODAUUJGMLAGBJ-GFCCVEGCSA-N -1 3 384.548 3.307 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000435587597 567377424 /nfs/dbraw/zinc/37/74/24/567377424.db2.gz FBGRXCFCWMEARH-UMSPYCQHSA-N -1 3 385.258 3.208 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)C1 ZINC000477168707 567377471 /nfs/dbraw/zinc/37/74/71/567377471.db2.gz XPBKMSLGQBSTNI-SNVBAGLBSA-N -1 3 382.873 3.266 20 0 GGADHM C[C@]1(F)CCN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000501284393 567377890 /nfs/dbraw/zinc/37/78/90/567377890.db2.gz OHECIDBBVRDZDU-KRWDZBQOSA-N -1 3 388.530 3.323 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2nc(C)c(C)s2)s1 ZINC000477173151 567378145 /nfs/dbraw/zinc/37/81/45/567378145.db2.gz BMEWRQZNPHJQDD-UHFFFAOYSA-N -1 3 395.369 3.413 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s1 ZINC000435604307 567378376 /nfs/dbraw/zinc/37/83/76/567378376.db2.gz OJTHFABCCGQVBH-MJHDQNEOSA-N -1 3 387.429 3.037 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccccc2)s1 ZINC000477183458 567379149 /nfs/dbraw/zinc/37/91/49/567379149.db2.gz VXMHVZCRGIZDNJ-CQSZACIVSA-N -1 3 382.507 3.121 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cncc(Br)c1 ZINC000435605321 567379620 /nfs/dbraw/zinc/37/96/20/567379620.db2.gz SIDPYWJJBKRCFB-UONOGXRCSA-N -1 3 387.686 3.332 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)c1 ZINC000435624399 567379702 /nfs/dbraw/zinc/37/97/02/567379702.db2.gz CFNIEGCEQRYDMX-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000435605228 567379815 /nfs/dbraw/zinc/37/98/15/567379815.db2.gz RVGPYHLQINXIEQ-LSDHHAIUSA-N -1 3 383.828 3.100 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC(C)(C)C ZINC000477210235 567380074 /nfs/dbraw/zinc/38/00/74/567380074.db2.gz WLJMCCKPYMTCFI-MRVPVSSYSA-N -1 3 398.706 3.111 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)ccc1[O-] ZINC000456484760 567380187 /nfs/dbraw/zinc/38/01/87/567380187.db2.gz KSRWUBZDFMMJJE-GFCCVEGCSA-N -1 3 396.256 3.183 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3ccc(Br)cc3)CC2)n1 ZINC000661576309 567380411 /nfs/dbraw/zinc/38/04/11/567380411.db2.gz KAFLDHDTBVVNJX-ZDUSSCGKSA-N -1 3 377.286 3.136 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN1C1CCCCC1)c1ccc(F)c(F)c1F ZINC000435643452 567381318 /nfs/dbraw/zinc/38/13/18/567381318.db2.gz CBQIWSVXFZRLDN-CYBMUJFWSA-N -1 3 376.444 3.179 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN1C1CCCCC1)c1ccc(F)c(F)c1F ZINC000435643454 567382091 /nfs/dbraw/zinc/38/20/91/567382091.db2.gz CBQIWSVXFZRLDN-ZDUSSCGKSA-N -1 3 376.444 3.179 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(F)cccc1Cl ZINC000477248031 567383022 /nfs/dbraw/zinc/38/30/22/567383022.db2.gz CLLHVMZSQUOMOE-SECBINFHSA-N -1 3 388.823 3.481 20 0 GGADHM Cc1nc(C)c(CC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c(=O)[n-]1 ZINC000501355398 567383213 /nfs/dbraw/zinc/38/32/13/567383213.db2.gz NSVLRBYXQNMTEJ-SNVBAGLBSA-N -1 3 390.281 3.077 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000435678366 567383364 /nfs/dbraw/zinc/38/33/64/567383364.db2.gz OUWSBSFSPCAEQO-QMMMGPOBSA-N -1 3 386.342 3.451 20 0 GGADHM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc([O-])cc(Br)c1 ZINC000527939064 567385449 /nfs/dbraw/zinc/38/54/49/567385449.db2.gz MQQPVVVTVKQMCY-CYBMUJFWSA-N -1 3 375.266 3.411 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1c[nH]c2ncccc12 ZINC000435721239 567386249 /nfs/dbraw/zinc/38/62/49/567386249.db2.gz BNMJWSUEFDVYIP-UHFFFAOYSA-N -1 3 388.193 3.404 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000549380329 567388752 /nfs/dbraw/zinc/38/87/52/567388752.db2.gz VNHYLRPVWJEYNZ-HNNXBMFYSA-N -1 3 375.437 3.166 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)s1 ZINC000618449014 567389026 /nfs/dbraw/zinc/38/90/26/567389026.db2.gz CIBKCWJEULLJBS-KBPBESRZSA-N -1 3 380.535 3.245 20 0 GGADHM O=c1ccccn1C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000501438353 567389663 /nfs/dbraw/zinc/38/96/63/567389663.db2.gz SWSRZSMWWWKCTC-CQSZACIVSA-N -1 3 394.905 3.283 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cc2cc(Br)ccc2o1 ZINC000569239300 567389736 /nfs/dbraw/zinc/38/97/36/567389736.db2.gz WFCPYGSDHNPHJF-OAHLLOKOSA-N -1 3 381.270 3.224 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)s1 ZINC000618453356 567390163 /nfs/dbraw/zinc/39/01/63/567390163.db2.gz IPCYSPDASYANLV-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)s1 ZINC000618452337 567390193 /nfs/dbraw/zinc/39/01/93/567390193.db2.gz WAENIFCJZCJAKZ-LLVKDONJSA-N -1 3 386.926 3.120 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2F)s1 ZINC000618452354 567390342 /nfs/dbraw/zinc/39/03/42/567390342.db2.gz WDXHMGLHIUGMEF-ZJUUUORDSA-N -1 3 388.461 3.263 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)s1 ZINC000618454336 567390486 /nfs/dbraw/zinc/39/04/86/567390486.db2.gz VLZOVXXRMAARRZ-ZDUSSCGKSA-N -1 3 398.575 3.406 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)s1 ZINC000618452349 567390501 /nfs/dbraw/zinc/39/05/01/567390501.db2.gz WDXHMGLHIUGMEF-UWVGGRQHSA-N -1 3 388.461 3.263 20 0 GGADHM C[C@@H]1C[C@]1([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000549425885 567390602 /nfs/dbraw/zinc/39/06/02/567390602.db2.gz OOMVYMFGFCKCRK-YMTOWFKASA-N -1 3 393.818 3.306 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)s1 ZINC000618458753 567390820 /nfs/dbraw/zinc/39/08/20/567390820.db2.gz RFXTUMHIXKOAEZ-KBPBESRZSA-N -1 3 380.535 3.163 20 0 GGADHM C[C@H]1C[C@]1([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000549425882 567390883 /nfs/dbraw/zinc/39/08/83/567390883.db2.gz OOMVYMFGFCKCRK-LKFCYVNXSA-N -1 3 393.818 3.306 20 0 GGADHM O=C(NCc1ccnc(N2CCCCC2)c1)c1cc([O-])cc(Br)c1 ZINC000528035548 567391031 /nfs/dbraw/zinc/39/10/31/567391031.db2.gz ZDHLSHCNCIODSV-UHFFFAOYSA-N -1 3 390.281 3.470 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)s1 ZINC000618458761 567391070 /nfs/dbraw/zinc/39/10/70/567391070.db2.gz RFXTUMHIXKOAEZ-ZIAGYGMSSA-N -1 3 380.535 3.163 20 0 GGADHM C[C@@H]1C[C@@]1([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000549425883 567391364 /nfs/dbraw/zinc/39/13/64/567391364.db2.gz OOMVYMFGFCKCRK-OTYXRUKQSA-N -1 3 393.818 3.306 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)s1 ZINC000618458759 567391829 /nfs/dbraw/zinc/39/18/29/567391829.db2.gz RFXTUMHIXKOAEZ-UONOGXRCSA-N -1 3 380.535 3.163 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cncc(Br)c1 ZINC000569276459 567392251 /nfs/dbraw/zinc/39/22/51/567392251.db2.gz BSHAVHKCEKTKOV-ZBFHGGJFSA-N -1 3 397.294 3.043 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000549465656 567392511 /nfs/dbraw/zinc/39/25/11/567392511.db2.gz UGLVFCUOMDOKMP-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C(CC)(CC)CC)c1 ZINC000501482338 567393175 /nfs/dbraw/zinc/39/31/75/567393175.db2.gz LOIMPGHRNXTWNF-UHFFFAOYSA-N -1 3 375.462 3.258 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000549524029 567394908 /nfs/dbraw/zinc/39/49/08/567394908.db2.gz HGRRGUPQHGBAER-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000549522611 567395487 /nfs/dbraw/zinc/39/54/87/567395487.db2.gz IDYOUZNYYPEVEU-UHFFFAOYSA-N -1 3 394.802 3.283 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)s1 ZINC000549522334 567395665 /nfs/dbraw/zinc/39/56/65/567395665.db2.gz BLOMQVHOEFECSY-UHFFFAOYSA-N -1 3 381.500 3.270 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]c2nc3cc(Br)ccn3n2)o1 ZINC000661805525 567395860 /nfs/dbraw/zinc/39/58/60/567395860.db2.gz QPXPMQHVUMYSHI-UHFFFAOYSA-N -1 3 392.257 3.179 20 0 GGADHM O=C(Cc1ccccc1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477463359 567396103 /nfs/dbraw/zinc/39/61/03/567396103.db2.gz WELHLVZSFNWSKS-UHFFFAOYSA-N -1 3 382.844 3.101 20 0 GGADHM O=C(CCC(F)(F)F)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477472406 567396709 /nfs/dbraw/zinc/39/67/09/567396709.db2.gz ACFUVWDOOVZEQT-UHFFFAOYSA-N -1 3 388.770 3.201 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528139565 567396848 /nfs/dbraw/zinc/39/68/48/567396848.db2.gz OSFPBAMWCVWRFX-NTSWFWBYSA-N -1 3 381.177 3.390 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528139565 567396855 /nfs/dbraw/zinc/39/68/55/567396855.db2.gz OSFPBAMWCVWRFX-NTSWFWBYSA-N -1 3 381.177 3.390 20 0 GGADHM O=c1[nH]c2c(cc1CN=c1ncc3scc(Br)c3[n-]1)CCC2 ZINC000528134168 567397294 /nfs/dbraw/zinc/39/72/94/567397294.db2.gz WNZGDERQXDMXLT-UHFFFAOYSA-N -1 3 377.267 3.077 20 0 GGADHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000549555455 567397448 /nfs/dbraw/zinc/39/74/48/567397448.db2.gz GHEARFNDZDLPNK-QMTHXVAHSA-N -1 3 396.734 3.073 20 0 GGADHM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000569368171 567399317 /nfs/dbraw/zinc/39/93/17/567399317.db2.gz CXDKOXRYSPTWDX-UHFFFAOYSA-N -1 3 382.869 3.375 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(Br)cc1)c1ccccc1 ZINC000477501622 567399579 /nfs/dbraw/zinc/39/95/79/567399579.db2.gz SJJQHRHZBORZQK-HNNXBMFYSA-N -1 3 398.278 3.148 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC(c2ccccc2Br)CC1 ZINC000569354496 567399968 /nfs/dbraw/zinc/39/99/68/567399968.db2.gz OAMWEPAAGOICBY-UHFFFAOYSA-N -1 3 375.266 3.498 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCO[C@H](C)C2)c1-c1ccc(Br)cc1 ZINC000640943252 567402700 /nfs/dbraw/zinc/40/27/00/567402700.db2.gz VMOGZFPAPZAHLH-MFKMUULPSA-N -1 3 378.270 3.323 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(C)c2F)N(C)C)cc1 ZINC000549635923 567402814 /nfs/dbraw/zinc/40/28/14/567402814.db2.gz GLFRPQBOFREZQS-INIZCTEOSA-N -1 3 382.526 3.437 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(C)c2F)N(C)C)cc1 ZINC000549635924 567403269 /nfs/dbraw/zinc/40/32/69/567403269.db2.gz GLFRPQBOFREZQS-MRXNPFEDSA-N -1 3 382.526 3.437 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000501731005 567404145 /nfs/dbraw/zinc/40/41/45/567404145.db2.gz ZSYTXWVWDSAMSB-HNNXBMFYSA-N -1 3 378.519 3.359 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c[n-]1 ZINC000501754918 567404607 /nfs/dbraw/zinc/40/46/07/567404607.db2.gz ZSSDXGUIEPQKCZ-UHFFFAOYSA-N -1 3 376.825 3.149 20 0 GGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000501790561 567406373 /nfs/dbraw/zinc/40/63/73/567406373.db2.gz FJZUIIUTOIFIMH-UHFFFAOYSA-N -1 3 384.251 3.427 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@H](Cc1ccc(Cl)cc1F)C(C)=O ZINC000436127184 567408161 /nfs/dbraw/zinc/40/81/61/567408161.db2.gz FOYIHGIUSJNODV-CQSZACIVSA-N -1 3 387.864 3.105 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528317130 567409626 /nfs/dbraw/zinc/40/96/26/567409626.db2.gz PCAGMJSSYRTGLM-QWHCGFSZSA-N -1 3 397.313 3.312 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](CC)C(C)(C)C)c1 ZINC000501884518 567410263 /nfs/dbraw/zinc/41/02/63/567410263.db2.gz XXDBVPDBHDCYLL-CQSZACIVSA-N -1 3 375.462 3.114 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)Cc1c(F)cccc1Cl ZINC000477700250 567410579 /nfs/dbraw/zinc/41/05/79/567410579.db2.gz YEHIWSIAZMPSFK-AWEZNQCLSA-N -1 3 388.620 3.489 20 0 GGADHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000549815766 567412250 /nfs/dbraw/zinc/41/22/50/567412250.db2.gz OCOIOYJVKUQBBY-MLGOLLRUSA-N -1 3 393.908 3.027 20 0 GGADHM NC(=O)CN(CCC1CCCCC1)C(=O)c1cc([O-])cc(Br)c1 ZINC000528350205 567413926 /nfs/dbraw/zinc/41/39/26/567413926.db2.gz LPABSAFCTLZHLV-UHFFFAOYSA-N -1 3 383.286 3.053 20 0 GGADHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1nnc2n1CCCCC2 ZINC000528363971 567415384 /nfs/dbraw/zinc/41/53/84/567415384.db2.gz LJLGTZJMQDEYBX-AWEZNQCLSA-N -1 3 393.285 3.354 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1OC ZINC000549863571 567415533 /nfs/dbraw/zinc/41/55/33/567415533.db2.gz PDLAQKVJRLKJDT-UHFFFAOYSA-N -1 3 391.823 3.156 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C)(C)CC2)cc1 ZINC000502004921 567415961 /nfs/dbraw/zinc/41/59/61/567415961.db2.gz QWPXXRXORPQGAG-UHFFFAOYSA-N -1 3 388.555 3.039 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000569615582 567418057 /nfs/dbraw/zinc/41/80/57/567418057.db2.gz PLDFEFJMXDWKET-RFAUZJTJSA-N -1 3 386.242 3.389 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1cncc(Cl)c1 ZINC000549909962 567418109 /nfs/dbraw/zinc/41/81/09/567418109.db2.gz OROGIHOULRWJHM-UHFFFAOYSA-N -1 3 380.775 3.155 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CC1 ZINC000569629142 567418392 /nfs/dbraw/zinc/41/83/92/567418392.db2.gz BSCASOPBSDHKAH-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2scc(C)c2Cl)cc(S(C)(=O)=O)c1 ZINC000477835669 567421664 /nfs/dbraw/zinc/42/16/64/567421664.db2.gz ISFLNNKVWZWFBC-UHFFFAOYSA-N -1 3 387.866 3.152 20 0 GGADHM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000477825985 567421879 /nfs/dbraw/zinc/42/18/79/567421879.db2.gz YRXYHHGLMFOPIH-NSHDSACASA-N -1 3 382.869 3.375 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2csc(CC)n2)c(F)c1 ZINC000593545360 567422758 /nfs/dbraw/zinc/42/27/58/567422758.db2.gz NDBODBRKTZAHHF-SNVBAGLBSA-N -1 3 386.470 3.061 20 0 GGADHM CCC[C@@H](OCC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000528438935 567422954 /nfs/dbraw/zinc/42/29/54/567422954.db2.gz SNRVUEHGEKRIFY-CYBMUJFWSA-N -1 3 382.404 3.221 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Cc2ccc(Br)cc2)[n-]1 ZINC000618919380 567423041 /nfs/dbraw/zinc/42/30/41/567423041.db2.gz BFFYFIRCSXIRTK-SNVBAGLBSA-N -1 3 380.242 3.166 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Cc2ccc(Br)cc2)c[n-]1 ZINC000618919380 567423049 /nfs/dbraw/zinc/42/30/49/567423049.db2.gz BFFYFIRCSXIRTK-SNVBAGLBSA-N -1 3 380.242 3.166 20 0 GGADHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)c2cccc(Cl)c21 ZINC000477848587 567423292 /nfs/dbraw/zinc/42/32/92/567423292.db2.gz SFEWQDQKPYMUOV-UHFFFAOYSA-N -1 3 384.910 3.004 20 0 GGADHM O=S(=O)([N-]c1ccncc1)c1cc(Br)c(Cl)cc1Cl ZINC000550007929 567423391 /nfs/dbraw/zinc/42/33/91/567423391.db2.gz ZENNQVKCYFNLAO-UHFFFAOYSA-N -1 3 382.066 3.374 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000502212297 567424002 /nfs/dbraw/zinc/42/40/02/567424002.db2.gz YITLKBSLXLONHZ-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)s1 ZINC000477879331 567424358 /nfs/dbraw/zinc/42/43/58/567424358.db2.gz NLXATFRWMPBEMY-QWHCGFSZSA-N -1 3 387.571 3.012 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2c(C)cccc2F)N(C)C)cc1 ZINC000550013380 567424368 /nfs/dbraw/zinc/42/43/68/567424368.db2.gz CQCVYYISXMSBTG-KRWDZBQOSA-N -1 3 382.526 3.437 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cccc(OCC(C)C)c2)c1 ZINC000502211017 567424563 /nfs/dbraw/zinc/42/45/63/567424563.db2.gz VKWFJMMSBCSEIN-UHFFFAOYSA-N -1 3 383.491 3.048 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)OC)c1 ZINC000528450326 567424690 /nfs/dbraw/zinc/42/46/90/567424690.db2.gz NYPOTMWHEHMPRP-ZDUSSCGKSA-N -1 3 375.899 3.385 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)cc1F ZINC000569702506 567425223 /nfs/dbraw/zinc/42/52/23/567425223.db2.gz NOXMCAVZHCOUBF-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)cc1Cl ZINC000436478464 567426488 /nfs/dbraw/zinc/42/64/88/567426488.db2.gz PFOQVUBWICITDW-UHFFFAOYSA-N -1 3 382.804 3.074 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)cc1Cl ZINC000436478464 567426495 /nfs/dbraw/zinc/42/64/95/567426495.db2.gz PFOQVUBWICITDW-UHFFFAOYSA-N -1 3 382.804 3.074 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)cc1Cl ZINC000436477766 567427173 /nfs/dbraw/zinc/42/71/73/567427173.db2.gz MJGONXIJARGARL-UHFFFAOYSA-N -1 3 382.804 3.074 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cc(F)c(Br)cc1F ZINC000528478132 567428003 /nfs/dbraw/zinc/42/80/03/567428003.db2.gz PGVOPPIOJZHWGP-LURJTMIESA-N -1 3 395.225 3.372 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000550104904 567428386 /nfs/dbraw/zinc/42/83/86/567428386.db2.gz XKXVPPJXHDJSOB-UHFFFAOYSA-N -1 3 378.599 3.174 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000550104904 567428390 /nfs/dbraw/zinc/42/83/90/567428390.db2.gz XKXVPPJXHDJSOB-UHFFFAOYSA-N -1 3 378.599 3.174 20 0 GGADHM CC(C)(N)c1nocc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000569744043 567428753 /nfs/dbraw/zinc/42/87/53/567428753.db2.gz PUFWDDIUNDIZKZ-UHFFFAOYSA-N -1 3 375.479 3.265 20 0 GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000569763238 567429799 /nfs/dbraw/zinc/42/97/99/567429799.db2.gz CTGMINWJBLNHDJ-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM COc1cc(CNC(=O)c2ccc(C)cc2[O-])cc(Br)c1OC ZINC000436532190 567431453 /nfs/dbraw/zinc/43/14/53/567431453.db2.gz GMVJCHMEMHTLML-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM COc1cccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1[O-] ZINC000436522282 567431851 /nfs/dbraw/zinc/43/18/51/567431851.db2.gz SSVXQGMQMXFUCW-LBPRGKRZSA-N -1 3 382.185 3.166 20 0 GGADHM CN(C)CCOc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436540459 567432546 /nfs/dbraw/zinc/43/25/46/567432546.db2.gz ZFEJAXRUIKNWIJ-UHFFFAOYSA-N -1 3 379.254 3.347 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1cccc(C2CC2)c1 ZINC000569797971 567433227 /nfs/dbraw/zinc/43/32/27/567433227.db2.gz APTNRBQGQNYDEQ-OLZOCXBDSA-N -1 3 378.519 3.170 20 0 GGADHM Cc1cccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c1[O-] ZINC000436543728 567433388 /nfs/dbraw/zinc/43/33/88/567433388.db2.gz JBQXOOWSORRZOL-UHFFFAOYSA-N -1 3 377.238 3.174 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000436538900 567433614 /nfs/dbraw/zinc/43/36/14/567433614.db2.gz MACYCBSREPEGQE-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436539856 567433712 /nfs/dbraw/zinc/43/37/12/567433712.db2.gz POUANMQIXWMJQG-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(Cl)cc1F ZINC000528532676 567433766 /nfs/dbraw/zinc/43/37/66/567433766.db2.gz XGZIGEJNWBVCNB-SNVBAGLBSA-N -1 3 383.819 3.407 20 0 GGADHM NC(=O)CSc1nnc(SCc2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000641418392 567434003 /nfs/dbraw/zinc/43/40/03/567434003.db2.gz MVDQEVKKCOHHLY-UHFFFAOYSA-N -1 3 381.426 3.132 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccc(Br)cc2)nc1C ZINC000502434248 567434437 /nfs/dbraw/zinc/43/44/37/567434437.db2.gz DXBPBQMLJNIWRS-UHFFFAOYSA-N -1 3 386.315 3.188 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H]3CCCOC3)nc(=O)c2c1C ZINC000502464757 567435784 /nfs/dbraw/zinc/43/57/84/567435784.db2.gz DHBLDBKIVKNZML-QWRGUYRKSA-N -1 3 382.507 3.443 20 0 GGADHM CCOc1cc(CN2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)cc(Br)c1[O-] ZINC000593696706 567435883 /nfs/dbraw/zinc/43/58/83/567435883.db2.gz LADNAPDJTXBRNU-UONOGXRCSA-N -1 3 398.297 3.184 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCN1C ZINC000502455135 567436007 /nfs/dbraw/zinc/43/60/07/567436007.db2.gz BUUMYTJRAKMHMP-WPRPVWTQSA-N -1 3 399.713 3.003 20 0 GGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000457063243 567436603 /nfs/dbraw/zinc/43/66/03/567436603.db2.gz FCXVQVFEBSBDEA-UHFFFAOYSA-N -1 3 378.822 3.463 20 0 GGADHM CC(=O)c1ccc(C(=O)NCCOc2cccc(Br)c2)cc1[O-] ZINC000436602343 567437103 /nfs/dbraw/zinc/43/71/03/567437103.db2.gz FAJOZYIBYUXTJO-UHFFFAOYSA-N -1 3 378.222 3.166 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528558529 567438807 /nfs/dbraw/zinc/43/88/07/567438807.db2.gz YIDGUGQAYRWDNV-UHFFFAOYSA-N -1 3 393.281 3.484 20 0 GGADHM COc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(Br)c1OC ZINC000550318689 567439789 /nfs/dbraw/zinc/43/97/89/567439789.db2.gz GDDHYRDFEOMXKB-UHFFFAOYSA-N -1 3 384.201 3.241 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ncccc2F)s1 ZINC000528570823 567440464 /nfs/dbraw/zinc/44/04/64/567440464.db2.gz CQDUWDDHNSLGOX-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000569900498 567441607 /nfs/dbraw/zinc/44/16/07/567441607.db2.gz WCDSMVPCNSSEKM-LDYMZIIASA-N -1 3 376.265 3.183 20 0 GGADHM Cc1cccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)c1[O-] ZINC000436681219 567441617 /nfs/dbraw/zinc/44/16/17/567441617.db2.gz MGGUCCRWLQVTDU-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000436669983 567441721 /nfs/dbraw/zinc/44/17/21/567441721.db2.gz CHNRNPBHXPELRH-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)c[n-]1 ZINC000550342888 567441780 /nfs/dbraw/zinc/44/17/80/567441780.db2.gz RUPWDNANLKYOOC-UHFFFAOYSA-N -1 3 379.869 3.260 20 0 GGADHM Cc1ccc(CCC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000569894457 567442173 /nfs/dbraw/zinc/44/21/73/567442173.db2.gz XNDIKUKYFUCOJN-UHFFFAOYSA-N -1 3 382.482 3.208 20 0 GGADHM COc1cc(-c2nc(-c3cncc(Br)c3)no2)cc(OC)c1[O-] ZINC000436685323 567442646 /nfs/dbraw/zinc/44/26/46/567442646.db2.gz AAUFUMOIJHOXAH-UHFFFAOYSA-N -1 3 378.182 3.284 20 0 GGADHM Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1Br ZINC000436699205 567443878 /nfs/dbraw/zinc/44/38/78/567443878.db2.gz SRLYQEUTQNKZNT-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM COc1cccc(C(=O)N2CCOc3ccc(Br)cc3C2)c1[O-] ZINC000436713449 567443975 /nfs/dbraw/zinc/44/39/75/567443975.db2.gz FOFVKKLVGAERFG-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM Cc1cccc(C(=O)NCCCNC(=O)c2ccc(Br)cc2)c1[O-] ZINC000436711291 567444153 /nfs/dbraw/zinc/44/41/53/567444153.db2.gz GKNIAVAKBMFQAF-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CCCC12CC2 ZINC000528648837 567444340 /nfs/dbraw/zinc/44/43/40/567444340.db2.gz JMQJHCNXIBJEQC-LLVKDONJSA-N -1 3 386.876 3.439 20 0 GGADHM O=C([O-])C[C@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000569939966 567444824 /nfs/dbraw/zinc/44/48/24/567444824.db2.gz FDPHEPDKPSRURX-CYBMUJFWSA-N -1 3 378.270 3.322 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccccc1[O-] ZINC000436719602 567445246 /nfs/dbraw/zinc/44/52/46/567445246.db2.gz PBCNICWXKCVJDE-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM CC(C)C1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000478278154 567445802 /nfs/dbraw/zinc/44/58/02/567445802.db2.gz HJCZNOZWLHMECX-UHFFFAOYSA-N -1 3 378.947 3.011 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)[C@@H]1C1CC1 ZINC000528651957 567446140 /nfs/dbraw/zinc/44/61/40/567446140.db2.gz SJFJBFUERJQKHN-CYACUBOYSA-N -1 3 386.876 3.150 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC(C)C)s1 ZINC000502659319 567447294 /nfs/dbraw/zinc/44/72/94/567447294.db2.gz WRZSMKKKOYGAMA-UHFFFAOYSA-N -1 3 383.491 3.048 20 0 GGADHM COc1cccc(C(=O)Nc2cc(Br)c(OC)cc2OC)c1[O-] ZINC000436736386 567447724 /nfs/dbraw/zinc/44/77/24/567447724.db2.gz GNTZYDZPBHHTBD-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM Cc1csc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1Cl ZINC000478338238 567448492 /nfs/dbraw/zinc/44/84/92/567448492.db2.gz HQPHECPUVJJFNC-UHFFFAOYSA-N -1 3 399.346 3.133 20 0 GGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619365355 567448595 /nfs/dbraw/zinc/44/85/95/567448595.db2.gz AHJUWEVTOIEQML-RKDXNWHRSA-N -1 3 381.657 3.426 20 0 GGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000619365355 567448601 /nfs/dbraw/zinc/44/86/01/567448601.db2.gz AHJUWEVTOIEQML-RKDXNWHRSA-N -1 3 381.657 3.426 20 0 GGADHM Cc1ccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c([O-])c1C ZINC000436741112 567449092 /nfs/dbraw/zinc/44/90/92/567449092.db2.gz SAMABHSZQUYUFC-GFCCVEGCSA-N -1 3 384.259 3.486 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(N=S2(=O)CCCC2)cc1 ZINC000641692100 567450265 /nfs/dbraw/zinc/45/02/65/567450265.db2.gz LFZGZOOHYQSXMG-DLBZAZTESA-N -1 3 386.539 3.279 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(O)cc2)no1 ZINC000436770724 567450577 /nfs/dbraw/zinc/45/05/77/567450577.db2.gz SXGNYCDIPYTPOH-SNVBAGLBSA-N -1 3 379.825 3.135 20 0 GGADHM O=S(=O)([N-]c1nn(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1ccccc1 ZINC000641692136 567450922 /nfs/dbraw/zinc/45/09/22/567450922.db2.gz MNMUJKVNAQUCRS-CMPLNLGQSA-N -1 3 379.791 3.397 20 0 GGADHM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 ZINC000570003292 567451387 /nfs/dbraw/zinc/45/13/87/567451387.db2.gz VJTLUJIYYLZZAG-NSHDSACASA-N -1 3 377.306 3.247 20 0 GGADHM COc1ccc(Br)cc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436777448 567451666 /nfs/dbraw/zinc/45/16/66/567451666.db2.gz NLTPVKYZHFVAKQ-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528740232 567451618 /nfs/dbraw/zinc/45/16/18/567451618.db2.gz SGAFLVASYPONNU-LSDHHAIUSA-N -1 3 383.286 3.016 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)CCCCc1ccc(Br)cc1 ZINC000594020556 567452282 /nfs/dbraw/zinc/45/22/82/567452282.db2.gz GJOSPLFONXMSDE-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)CCCCc1ccc(Br)cc1 ZINC000594020556 567452284 /nfs/dbraw/zinc/45/22/84/567452284.db2.gz GJOSPLFONXMSDE-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCc2nc3cc(Cl)ccc3s2)[n-]1 ZINC000619446710 567452403 /nfs/dbraw/zinc/45/24/03/567452403.db2.gz UZXHJFXFWVNCGC-UHFFFAOYSA-N -1 3 378.841 3.421 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCc2nc3cc(Cl)ccc3s2)c[n-]1 ZINC000619446710 567452415 /nfs/dbraw/zinc/45/24/15/567452415.db2.gz UZXHJFXFWVNCGC-UHFFFAOYSA-N -1 3 378.841 3.421 20 0 GGADHM CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000436800668 567452380 /nfs/dbraw/zinc/45/23/80/567452380.db2.gz MMOJBENRLUGARD-UHFFFAOYSA-N -1 3 393.241 3.182 20 0 GGADHM Cc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c([O-])c1 ZINC000436787684 567453239 /nfs/dbraw/zinc/45/32/39/567453239.db2.gz PVULOFLRYPXXHA-UHFFFAOYSA-N -1 3 375.266 3.426 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000570034922 567453830 /nfs/dbraw/zinc/45/38/30/567453830.db2.gz ZRDFJNMRFWJPTO-GOEBONIOSA-N -1 3 389.249 3.399 20 0 GGADHM COc1cccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1[O-] ZINC000436819428 567453895 /nfs/dbraw/zinc/45/38/95/567453895.db2.gz NHGNECQUBRYEIE-LBPRGKRZSA-N -1 3 391.265 3.172 20 0 GGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2scc3c2OCCO3)n1 ZINC000594032285 567454094 /nfs/dbraw/zinc/45/40/94/567454094.db2.gz XPBWYSMTFHTANO-UHFFFAOYSA-N -1 3 382.463 3.069 20 0 GGADHM C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1Cl ZINC000502817529 567454174 /nfs/dbraw/zinc/45/41/74/567454174.db2.gz KUPNMEDWADMBQX-SECBINFHSA-N -1 3 388.276 3.251 20 0 GGADHM COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1[O-] ZINC000436809072 567454204 /nfs/dbraw/zinc/45/42/04/567454204.db2.gz RQJPVLIALORUHF-UHFFFAOYSA-N -1 3 386.267 3.211 20 0 GGADHM CC(C)C(=O)Nc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccn1 ZINC000436817492 567454285 /nfs/dbraw/zinc/45/42/85/567454285.db2.gz HZXLJBOHXDHXFD-UHFFFAOYSA-N -1 3 378.226 3.397 20 0 GGADHM C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1Cl ZINC000502817530 567454678 /nfs/dbraw/zinc/45/46/78/567454678.db2.gz KUPNMEDWADMBQX-VIFPVBQESA-N -1 3 388.276 3.251 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436841618 567455571 /nfs/dbraw/zinc/45/55/71/567455571.db2.gz VVUUJSJLXRRIOV-MGPLVRAMSA-N -1 3 380.238 3.366 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)s1 ZINC000550632567 567455752 /nfs/dbraw/zinc/45/57/52/567455752.db2.gz NDQANKBDWGGCGM-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM CN(C)CCOc1ccc(NC(=O)c2cc(F)cc(Br)c2[O-])cc1 ZINC000436844811 567456308 /nfs/dbraw/zinc/45/63/08/567456308.db2.gz BBSXLULAVPUHSM-UHFFFAOYSA-N -1 3 397.244 3.487 20 0 GGADHM COc1cc(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)cc(OC)c1[O-] ZINC000478440293 567456257 /nfs/dbraw/zinc/45/62/57/567456257.db2.gz XCNPRMNYMDKCJQ-LBPRGKRZSA-N -1 3 386.231 3.180 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436841619 567456389 /nfs/dbraw/zinc/45/63/89/567456389.db2.gz VVUUJSJLXRRIOV-QFYYESIMSA-N -1 3 380.238 3.366 20 0 GGADHM COc1cc(Br)ccc1CCCNC(=O)c1ccc(O)cc1[O-] ZINC000436843918 567456604 /nfs/dbraw/zinc/45/66/04/567456604.db2.gz KZRPMFWILCJVJV-UHFFFAOYSA-N -1 3 380.238 3.232 20 0 GGADHM CCCN(CC)C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000570087901 567456785 /nfs/dbraw/zinc/45/67/85/567456785.db2.gz GUWSBHQHVYBXRK-NSHDSACASA-N -1 3 386.411 3.123 20 0 GGADHM CN(C)Cc1ccccc1CNC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436849046 567458437 /nfs/dbraw/zinc/45/84/37/567458437.db2.gz QVBVQGROQAZLRX-UHFFFAOYSA-N -1 3 381.245 3.285 20 0 GGADHM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([O-])cc(Br)c1 ZINC000528808090 567458794 /nfs/dbraw/zinc/45/87/94/567458794.db2.gz AURZPLNQVKDHJM-ZDUSSCGKSA-N -1 3 379.258 3.135 20 0 GGADHM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000641872064 567459354 /nfs/dbraw/zinc/45/93/54/567459354.db2.gz HPDKKJNCJILLGK-UHFFFAOYSA-N -1 3 386.832 3.177 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccccc1Cl ZINC000641948187 567460132 /nfs/dbraw/zinc/46/01/32/567460132.db2.gz GHGJBEAXTGSNPU-UHFFFAOYSA-N -1 3 392.786 3.276 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000436870406 567461505 /nfs/dbraw/zinc/46/15/05/567461505.db2.gz HTEPMJXYXXEHQC-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000570150684 567461931 /nfs/dbraw/zinc/46/19/31/567461931.db2.gz YSYPATSVKFHLDZ-NSHDSACASA-N -1 3 376.906 3.410 20 0 GGADHM [O-]c1ccc(-c2noc(-c3ccc(Br)cc3-n3cncn3)n2)cc1 ZINC000436871643 567462605 /nfs/dbraw/zinc/46/26/05/567462605.db2.gz QYVPYVWTELCRNW-UHFFFAOYSA-N -1 3 384.193 3.452 20 0 GGADHM Cc1cccc(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)c1[O-] ZINC000436882713 567463263 /nfs/dbraw/zinc/46/32/63/567463263.db2.gz VAQKRQUOEWXBCA-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM CC(C)Oc1ccc([C@H](O)CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000528838667 567463201 /nfs/dbraw/zinc/46/32/01/567463201.db2.gz ZCWQRJVXPZZJDZ-QGZVFWFLSA-N -1 3 394.265 3.405 20 0 GGADHM C[C@H]1CC[C@H](CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)O1 ZINC000457389849 567463353 /nfs/dbraw/zinc/46/33/53/567463353.db2.gz YHOCIZWBVXTBKV-WCBMZHEXSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]1CC[C@H](CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])O1 ZINC000457389849 567463358 /nfs/dbraw/zinc/46/33/58/567463358.db2.gz YHOCIZWBVXTBKV-WCBMZHEXSA-N -1 3 399.672 3.241 20 0 GGADHM COC(=O)C[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(Br)cc1 ZINC000436905157 567464050 /nfs/dbraw/zinc/46/40/50/567464050.db2.gz ZMJUVTZWHZDJNY-HNNXBMFYSA-N -1 3 392.249 3.497 20 0 GGADHM CN(C)CCOc1ccccc1CNC(=O)c1cc(Br)ccc1[O-] ZINC000436893306 567464262 /nfs/dbraw/zinc/46/42/62/567464262.db2.gz MTRQFHTVVGUEND-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM CC1CCN(CCNC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000436908337 567464312 /nfs/dbraw/zinc/46/43/12/567464312.db2.gz IFKNRNJDPCOPFL-UHFFFAOYSA-N -1 3 375.694 3.270 20 0 GGADHM O=c1[nH]c(Cc2noc(-c3ccccc3[O-])n2)nc2ccc(Br)cc12 ZINC000436905730 567464340 /nfs/dbraw/zinc/46/43/40/567464340.db2.gz UGJCFBPVVYGCOL-UHFFFAOYSA-N -1 3 399.204 3.444 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cscc2Br)CC1 ZINC000436889775 567464968 /nfs/dbraw/zinc/46/49/68/567464968.db2.gz ZOZRPAZUIISHSD-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2nn[n-]c21)Oc1cccc(Br)c1 ZINC000503004519 567465001 /nfs/dbraw/zinc/46/50/01/567465001.db2.gz VKNIJCBYVMDGQP-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2[n-]nnc21)Oc1cccc(Br)c1 ZINC000503004519 567465008 /nfs/dbraw/zinc/46/50/08/567465008.db2.gz VKNIJCBYVMDGQP-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@H](CNC(=O)c1cc(F)cc2n[n-]nc21)Oc1cccc(Br)c1 ZINC000503004519 567465013 /nfs/dbraw/zinc/46/50/13/567465013.db2.gz VKNIJCBYVMDGQP-SECBINFHSA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](CN1CCCCC1)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436911813 567465123 /nfs/dbraw/zinc/46/51/23/567465123.db2.gz RECWZXVIZLBZLP-JTQLQIEISA-N -1 3 375.694 3.412 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(F)c2F)N(C)C)cc1 ZINC000570179792 567465287 /nfs/dbraw/zinc/46/52/87/567465287.db2.gz WDHDGKJHSHOZNR-HNNXBMFYSA-N -1 3 386.489 3.268 20 0 GGADHM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc([O-])cc(Br)c1 ZINC000528885841 567465909 /nfs/dbraw/zinc/46/59/09/567465909.db2.gz MBNKOTRUABRBAF-INIZCTEOSA-N -1 3 376.250 3.398 20 0 GGADHM Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)c([O-])c1 ZINC000436930745 567466899 /nfs/dbraw/zinc/46/68/99/567466899.db2.gz YGQMWAIXBPUMNT-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM COc1cccc(C(=O)NC[C@@H](C)Oc2ccccc2Br)c1[O-] ZINC000436922386 567466916 /nfs/dbraw/zinc/46/69/16/567466916.db2.gz XQOJSMDXIYLMFK-LLVKDONJSA-N -1 3 380.238 3.361 20 0 GGADHM CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1c([O-])cccc1F ZINC000436942384 567467885 /nfs/dbraw/zinc/46/78/85/567467885.db2.gz GYXLGLOINZGIJN-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM COC(=O)[C@@](C)(NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000436951181 567468591 /nfs/dbraw/zinc/46/85/91/567468591.db2.gz DXRKYOQFDHRMRV-KRWDZBQOSA-N -1 3 384.215 3.223 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2Cl)ccc1[O-] ZINC000436950148 567468816 /nfs/dbraw/zinc/46/88/16/567468816.db2.gz OBBMTLACFPOCRW-UHFFFAOYSA-N -1 3 394.207 3.426 20 0 GGADHM CC(=O)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC12CCCCC2 ZINC000528935017 567470163 /nfs/dbraw/zinc/47/01/63/567470163.db2.gz RIBPGDWDEZPVMD-UHFFFAOYSA-N -1 3 395.297 3.162 20 0 GGADHM COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1ccc(C)cc1[O-] ZINC000436961685 567470191 /nfs/dbraw/zinc/47/01/91/567470191.db2.gz ADCDDJIDDNBCGE-UHFFFAOYSA-N -1 3 392.249 3.279 20 0 GGADHM COc1cccc(C(=O)NCc2cn3cc(Br)cc(C)c3n2)c1[O-] ZINC000436959292 567470629 /nfs/dbraw/zinc/47/06/29/567470629.db2.gz MMXUZCRFXUZKMX-UHFFFAOYSA-N -1 3 390.237 3.049 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000642196384 567471497 /nfs/dbraw/zinc/47/14/97/567471497.db2.gz OBASOLWFFXXHIX-UHFFFAOYSA-N -1 3 388.258 3.465 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nnc2n1CCC2 ZINC000594384751 567472548 /nfs/dbraw/zinc/47/25/48/567472548.db2.gz ZDTZEURLJNQGGO-SSDOTTSWSA-N -1 3 395.699 3.224 20 0 GGADHM CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528964665 567473044 /nfs/dbraw/zinc/47/30/44/567473044.db2.gz RFCIIEVVWVHGRT-UHFFFAOYSA-N -1 3 395.219 3.253 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2)s1 ZINC000619664511 567473209 /nfs/dbraw/zinc/47/32/09/567473209.db2.gz RYFJGHONGYMEBX-VXGBXAGGSA-N -1 3 384.498 3.166 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)COC(C)(C)CC)c(F)cc1F ZINC000457532660 567473246 /nfs/dbraw/zinc/47/32/46/567473246.db2.gz VBNUMUCTRNBFMY-UHFFFAOYSA-N -1 3 378.441 3.260 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nnc2n1CCC2 ZINC000594384752 567473222 /nfs/dbraw/zinc/47/32/22/567473222.db2.gz ZDTZEURLJNQGGO-ZETCQYMHSA-N -1 3 395.699 3.224 20 0 GGADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1ccc(F)cc1C(F)(F)F ZINC000503216479 567473594 /nfs/dbraw/zinc/47/35/94/567473594.db2.gz AKOLRHQRIXUYDC-UHFFFAOYSA-N -1 3 379.360 3.032 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1sc2ccc(Br)cc2c1C ZINC000551034878 567473655 /nfs/dbraw/zinc/47/36/55/567473655.db2.gz SWZWUQZEKRKVMP-LLVKDONJSA-N -1 3 394.294 3.214 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1sc2ccc(Br)cc2c1C ZINC000551034879 567474207 /nfs/dbraw/zinc/47/42/07/567474207.db2.gz SWZWUQZEKRKVMP-NSHDSACASA-N -1 3 394.294 3.214 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000528972536 567474512 /nfs/dbraw/zinc/47/45/12/567474512.db2.gz IGYMIYDHGPSQGA-KRWDZBQOSA-N -1 3 376.250 3.238 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)OCCc2sccc21 ZINC000570321279 567474672 /nfs/dbraw/zinc/47/46/72/567474672.db2.gz CUUDWSXUIQSOFG-HNNXBMFYSA-N -1 3 375.874 3.307 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(N2C(=O)CCC2=O)c1 ZINC000642322987 567474651 /nfs/dbraw/zinc/47/46/51/567474651.db2.gz DTSKASOZJVEHMG-UHFFFAOYSA-N -1 3 389.205 3.060 20 0 GGADHM COc1cc(OC)c(C(=O)Nc2ccc(Br)cc2[O-])cc1OC ZINC000642323902 567474967 /nfs/dbraw/zinc/47/49/67/567474967.db2.gz AVOROGJBLKSRKP-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000503229825 567475264 /nfs/dbraw/zinc/47/52/64/567475264.db2.gz DBLKJPHVNSOYIP-SNVBAGLBSA-N -1 3 396.715 3.176 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c(Cl)c1Cl ZINC000503232010 567475312 /nfs/dbraw/zinc/47/53/12/567475312.db2.gz MSPKIZIEOCXLTF-UHFFFAOYSA-N -1 3 392.289 3.190 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478701250 567476903 /nfs/dbraw/zinc/47/69/03/567476903.db2.gz HOUFDIYUXABTAN-QPUJVOFHSA-N -1 3 386.823 3.261 20 0 GGADHM COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000570348819 567477051 /nfs/dbraw/zinc/47/70/51/567477051.db2.gz AGJNXNRPYNEBJY-UHFFFAOYSA-N -1 3 387.860 3.291 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1F ZINC000594463946 567477728 /nfs/dbraw/zinc/47/77/28/567477728.db2.gz MBBSOFCCSAXNPA-UHFFFAOYSA-N -1 3 375.462 3.192 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1Cl ZINC000642376958 567477909 /nfs/dbraw/zinc/47/79/09/567477909.db2.gz SOPDNBVILXUCGR-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(Cl)c1 ZINC000503266920 567478715 /nfs/dbraw/zinc/47/87/15/567478715.db2.gz IFYIQLMXDMQQJP-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2C)cc1OC ZINC000551115790 567479595 /nfs/dbraw/zinc/47/95/95/567479595.db2.gz OJBNUKUFEVILFJ-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2)N(CC)CC)s1 ZINC000642400643 567479650 /nfs/dbraw/zinc/47/96/50/567479650.db2.gz ZECYQYKNHKIXCL-AWEZNQCLSA-N -1 3 379.555 3.277 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)c3cncc([N-]S(C)(=O)=O)c3)n2)s1 ZINC000503306497 567479730 /nfs/dbraw/zinc/47/97/30/567479730.db2.gz APTBKWUWXSQELW-UHFFFAOYSA-N -1 3 394.503 3.199 20 0 GGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000478721428 567479789 /nfs/dbraw/zinc/47/97/89/567479789.db2.gz HPLUZFSAKAHRHH-CYBMUJFWSA-N -1 3 384.864 3.474 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000642523533 567480290 /nfs/dbraw/zinc/48/02/90/567480290.db2.gz LHVPYAWAFHSECI-LLVKDONJSA-N -1 3 395.750 3.113 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nc(C)n1 ZINC000551131400 567481037 /nfs/dbraw/zinc/48/10/37/567481037.db2.gz LENPSYOLBOMKSD-UHFFFAOYSA-N -1 3 379.791 3.244 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2sccc2Br)no1 ZINC000551135172 567481177 /nfs/dbraw/zinc/48/11/77/567481177.db2.gz HBYJZGBFDFOTBN-UHFFFAOYSA-N -1 3 393.328 3.416 20 0 GGADHM Cc1cc(Br)c(C(=O)NCCCNC(=O)c2cccc([O-])c2)s1 ZINC000457666669 567481110 /nfs/dbraw/zinc/48/11/10/567481110.db2.gz LMEVHXVXFVVPCY-UHFFFAOYSA-N -1 3 397.294 3.075 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000642523570 567481237 /nfs/dbraw/zinc/48/12/37/567481237.db2.gz TVNRNWCCNFRVNN-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(C)cc2Br)s1 ZINC000457665939 567481479 /nfs/dbraw/zinc/48/14/79/567481479.db2.gz JWGCFEQYYBOJTH-UHFFFAOYSA-N -1 3 390.284 3.028 20 0 GGADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)NC[C@@H]1CCN1C1CCCCC1 ZINC000529057905 567481950 /nfs/dbraw/zinc/48/19/50/567481950.db2.gz HJBJVUAJSLVYHR-AWEZNQCLSA-N -1 3 377.539 3.217 20 0 GGADHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)C ZINC000478766386 567482236 /nfs/dbraw/zinc/48/22/36/567482236.db2.gz XEXOURYENITCNN-HNNXBMFYSA-N -1 3 381.416 3.352 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccc(Cl)cc1 ZINC000551167171 567482448 /nfs/dbraw/zinc/48/24/48/567482448.db2.gz INNOAIKBULUETP-HNNXBMFYSA-N -1 3 386.901 3.433 20 0 GGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000551162211 567483139 /nfs/dbraw/zinc/48/31/39/567483139.db2.gz KJVLKUWIKIDJPL-UHFFFAOYSA-N -1 3 390.933 3.298 20 0 GGADHM [O-]c1coc2cc(OCc3nnc(-c4ccc(Br)o4)o3)ccc12 ZINC000642608566 567483714 /nfs/dbraw/zinc/48/37/14/567483714.db2.gz HSCROZHJNYEVIG-UHFFFAOYSA-N -1 3 377.150 3.246 20 0 GGADHM [O-]c1coc2cc(OCc3cc4c(cc3Br)OCCO4)ccc12 ZINC000642608816 567484432 /nfs/dbraw/zinc/48/44/32/567484432.db2.gz PEAJWHHIIBUQJX-UHFFFAOYSA-N -1 3 377.190 3.374 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1cc(Cl)ccc1F ZINC000551173432 567484419 /nfs/dbraw/zinc/48/44/19/567484419.db2.gz ZWHWXLVRYIQJSJ-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=S(=O)([N-][C@@H]1CCSc2ccc(Cl)cc21)c1cn2c(n1)CCCC2 ZINC000503438848 567484627 /nfs/dbraw/zinc/48/46/27/567484627.db2.gz UFGBYYVYVZNPGH-CYBMUJFWSA-N -1 3 383.926 3.388 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCC2)c1 ZINC000478786967 567484721 /nfs/dbraw/zinc/48/47/21/567484721.db2.gz ZVMSGQOHRPARDX-UHFFFAOYSA-N -1 3 383.466 3.118 20 0 GGADHM COCc1nc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cs1 ZINC000642798364 567486963 /nfs/dbraw/zinc/48/69/63/567486963.db2.gz MMWVYYVMAWOQNB-UHFFFAOYSA-N -1 3 387.502 3.118 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(OC2CCC2)CC1 ZINC000642747865 567487105 /nfs/dbraw/zinc/48/71/05/567487105.db2.gz WGOXSWFJNFIELP-UHFFFAOYSA-N -1 3 383.286 3.398 20 0 GGADHM O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc([O-])cc(Br)c1 ZINC000529117107 567487288 /nfs/dbraw/zinc/48/72/88/567487288.db2.gz ONOIAYUYWFJOTB-UHFFFAOYSA-N -1 3 395.219 3.159 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccncc1F ZINC000551197575 567487279 /nfs/dbraw/zinc/48/72/79/567487279.db2.gz HRNYSSXNRVYFAA-JTQLQIEISA-N -1 3 392.283 3.157 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cs1 ZINC000437291345 567487959 /nfs/dbraw/zinc/48/79/59/567487959.db2.gz IFGIMJVBZSHEJA-SECBINFHSA-N -1 3 396.412 3.228 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(C)(C)C ZINC000570468753 567487993 /nfs/dbraw/zinc/48/79/93/567487993.db2.gz DRPFSFJPHOGHOQ-CQSZACIVSA-N -1 3 390.933 3.153 20 0 GGADHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551214200 567488135 /nfs/dbraw/zinc/48/81/35/567488135.db2.gz DJYFBEHODUNEGR-LLVKDONJSA-N -1 3 387.807 3.236 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000437292395 567488152 /nfs/dbraw/zinc/48/81/52/567488152.db2.gz VVUAJJPVGZOPLJ-VXGBXAGGSA-N -1 3 398.472 3.031 20 0 GGADHM Cn1nc(C(F)(F)F)cc1CNC[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000663259298 567488293 /nfs/dbraw/zinc/48/82/93/567488293.db2.gz WNRVROGQZMAHGG-LLVKDONJSA-N -1 3 375.778 3.125 20 0 GGADHM O=S(=O)([N-]CCCCOc1ccc(Cl)cc1)c1cn2c(n1)CCCC2 ZINC000503484912 567488305 /nfs/dbraw/zinc/48/83/05/567488305.db2.gz IUHXUMQNJHRFQG-UHFFFAOYSA-N -1 3 383.901 3.010 20 0 GGADHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551214201 567488385 /nfs/dbraw/zinc/48/83/85/567488385.db2.gz DJYFBEHODUNEGR-NSHDSACASA-N -1 3 387.807 3.236 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2sccc2Br)cs1 ZINC000437299298 567488980 /nfs/dbraw/zinc/48/89/80/567488980.db2.gz SEMQXVRKHCCAQF-SSDOTTSWSA-N -1 3 397.341 3.153 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000437308644 567489186 /nfs/dbraw/zinc/48/91/86/567489186.db2.gz UBIHBHUNYCMJEU-VHSXEESVSA-N -1 3 385.429 3.182 20 0 GGADHM COc1ccc2c(c1)CCN(C(=O)c1cc([O-])cc(Br)c1)CC2 ZINC000529132122 567489249 /nfs/dbraw/zinc/48/92/49/567489249.db2.gz XTFGEQZTYLSNIP-UHFFFAOYSA-N -1 3 376.250 3.404 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)oc1C ZINC000551226353 567489400 /nfs/dbraw/zinc/48/94/00/567489400.db2.gz OAVHPKUKKGUGTN-UHFFFAOYSA-N -1 3 383.853 3.386 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCCCSC ZINC000478897847 567489925 /nfs/dbraw/zinc/48/99/25/567489925.db2.gz BZWLYIYGLBCEHM-UHFFFAOYSA-N -1 3 387.548 3.500 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1nc(C(F)(F)F)cs1 ZINC000503502141 567490020 /nfs/dbraw/zinc/49/00/20/567490020.db2.gz FTJJLYSSJPBIAC-SECBINFHSA-N -1 3 394.444 3.124 20 0 GGADHM CC(C)(C)N1C[C@H](CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1=O ZINC000620014093 567490808 /nfs/dbraw/zinc/49/08/08/567490808.db2.gz FNSLYTFEECINNZ-JTQLQIEISA-N -1 3 380.901 3.168 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1F ZINC000437319471 567490805 /nfs/dbraw/zinc/49/08/05/567490805.db2.gz RNRHBICYNNTBDX-UHFFFAOYSA-N -1 3 388.795 3.475 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1csc([C@H](C)OC)n1 ZINC000437311155 567490820 /nfs/dbraw/zinc/49/08/20/567490820.db2.gz YPOJOBLBNQBHBZ-JTQLQIEISA-N -1 3 390.914 3.132 20 0 GGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000503517470 567491485 /nfs/dbraw/zinc/49/14/85/567491485.db2.gz FOTKMXFPZPPMPR-SECBINFHSA-N -1 3 389.228 3.447 20 0 GGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000503517470 567491488 /nfs/dbraw/zinc/49/14/88/567491488.db2.gz FOTKMXFPZPPMPR-SECBINFHSA-N -1 3 389.228 3.447 20 0 GGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503517470 567491491 /nfs/dbraw/zinc/49/14/91/567491491.db2.gz FOTKMXFPZPPMPR-SECBINFHSA-N -1 3 389.228 3.447 20 0 GGADHM CCCn1ccnc1CCCN(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000529166024 567491492 /nfs/dbraw/zinc/49/14/92/567491492.db2.gz KZWPVXLULRSLFO-UHFFFAOYSA-N -1 3 380.286 3.466 20 0 GGADHM CC(C)c1ccc(SCC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000437326332 567492151 /nfs/dbraw/zinc/49/21/51/567492151.db2.gz QJAZZWYGRIYRTC-UHFFFAOYSA-N -1 3 398.575 3.058 20 0 GGADHM CCCOc1ccc(Cl)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503539953 567492606 /nfs/dbraw/zinc/49/26/06/567492606.db2.gz GXAPXIUSBUIHEK-UHFFFAOYSA-N -1 3 383.857 3.148 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2cc(Br)cc(F)c2C1 ZINC000503534999 567492914 /nfs/dbraw/zinc/49/29/14/567492914.db2.gz ZZYZQSBQBVMSKI-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2cc(Br)cc(F)c2C1 ZINC000503534999 567492916 /nfs/dbraw/zinc/49/29/16/567492916.db2.gz ZZYZQSBQBVMSKI-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2cc(Br)cc(F)c2C1 ZINC000503534999 567492917 /nfs/dbraw/zinc/49/29/17/567492917.db2.gz ZZYZQSBQBVMSKI-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccn1 ZINC000437401903 567494893 /nfs/dbraw/zinc/49/48/93/567494893.db2.gz DMMIKVOUQDCNLW-UHFFFAOYSA-N -1 3 395.200 3.394 20 0 GGADHM CCC[C@@]1(C)CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000437387166 567495629 /nfs/dbraw/zinc/49/56/29/567495629.db2.gz TZCJLEHYJQKGLA-HNNXBMFYSA-N -1 3 378.947 3.109 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000570580030 567496039 /nfs/dbraw/zinc/49/60/39/567496039.db2.gz JOWGHDQRCXAEEA-SECBINFHSA-N -1 3 392.253 3.322 20 0 GGADHM CC(C)C[C@@H]1CCCCCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437435350 567496866 /nfs/dbraw/zinc/49/68/66/567496866.db2.gz PNLBEIJFFLFHJZ-HNNXBMFYSA-N -1 3 387.571 3.027 20 0 GGADHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643197149 567497080 /nfs/dbraw/zinc/49/70/80/567497080.db2.gz RICDJHJCXLVDPR-PWSUYJOCSA-N -1 3 379.425 3.210 20 0 GGADHM CC(C)(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)[C@]1(O)CCCOC1 ZINC000620115927 567497873 /nfs/dbraw/zinc/49/78/73/567497873.db2.gz HNTFOQVZECUWCV-KRWDZBQOSA-N -1 3 383.901 3.089 20 0 GGADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)c1ccc(C(F)(F)F)s1 ZINC000643204081 567498063 /nfs/dbraw/zinc/49/80/63/567498063.db2.gz ZHLLMSRCOXNLGV-QMMMGPOBSA-N -1 3 385.335 3.457 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2cc(Br)ccc2NC2CC2)c[n-]1 ZINC000551322575 567498434 /nfs/dbraw/zinc/49/84/34/567498434.db2.gz OAAYKIPKALRTSM-UHFFFAOYSA-N -1 3 378.226 3.390 20 0 GGADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)cc1 ZINC000643213472 567498799 /nfs/dbraw/zinc/49/87/99/567498799.db2.gz KVQKKFXNZNEXFR-CYBMUJFWSA-N -1 3 378.519 3.109 20 0 GGADHM CS(=O)(=O)c1ccnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000551349756 567499444 /nfs/dbraw/zinc/49/94/44/567499444.db2.gz MVRZUXDSSNOGRZ-UHFFFAOYSA-N -1 3 377.809 3.046 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000643211340 567499440 /nfs/dbraw/zinc/49/94/40/567499440.db2.gz LNUFRRLKLHSYMW-UHFFFAOYSA-N -1 3 383.844 3.303 20 0 GGADHM Cc1nc(C)c(CC(=O)N(C)[C@H](C)c2ccccc2Br)c(=O)[n-]1 ZINC000503669702 567500877 /nfs/dbraw/zinc/50/08/77/567500877.db2.gz GLHDITDNJGBUQA-LLVKDONJSA-N -1 3 378.270 3.324 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503685555 567500984 /nfs/dbraw/zinc/50/09/84/567500984.db2.gz QHFXFKRDXPGUDZ-MRVPVSSYSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503685555 567500993 /nfs/dbraw/zinc/50/09/93/567500993.db2.gz QHFXFKRDXPGUDZ-MRVPVSSYSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503685555 567500998 /nfs/dbraw/zinc/50/09/98/567500998.db2.gz QHFXFKRDXPGUDZ-MRVPVSSYSA-N -1 3 395.207 3.360 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCOCC1 ZINC000643224060 567501305 /nfs/dbraw/zinc/50/13/05/567501305.db2.gz WLOVQIFECIDTPC-GFCCVEGCSA-N -1 3 396.336 3.473 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C)c(F)cc1F ZINC000503703686 567501583 /nfs/dbraw/zinc/50/15/83/567501583.db2.gz LNNQTPNDTRCPCZ-UHFFFAOYSA-N -1 3 377.453 3.454 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Br)c1 ZINC000437652692 567503289 /nfs/dbraw/zinc/50/32/89/567503289.db2.gz SKLMLRXQMSHXFA-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Br)c1 ZINC000437652692 567503293 /nfs/dbraw/zinc/50/32/93/567503293.db2.gz SKLMLRXQMSHXFA-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccco2)c(I)c1 ZINC000437662202 567503571 /nfs/dbraw/zinc/50/35/71/567503571.db2.gz QOOCSXHCXJHTAA-UHFFFAOYSA-N -1 3 381.166 3.133 20 0 GGADHM Cc1ccc(C(=O)NCCF)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000437694989 567504561 /nfs/dbraw/zinc/50/45/61/567504561.db2.gz VGSOMPQZVSDCBK-UHFFFAOYSA-N -1 3 388.823 3.288 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCOC1 ZINC000503765347 567505001 /nfs/dbraw/zinc/50/50/01/567505001.db2.gz NDUHFHSTGRFYBT-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1F ZINC000570697055 567505236 /nfs/dbraw/zinc/50/52/36/567505236.db2.gz UXTBNIYPCUWQFD-MRVPVSSYSA-N -1 3 380.217 3.452 20 0 GGADHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1 ZINC000503737269 567505481 /nfs/dbraw/zinc/50/54/81/567505481.db2.gz WZNPORRXKZGKJO-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1cccs1 ZINC000594742557 567506557 /nfs/dbraw/zinc/50/65/57/567506557.db2.gz OUZLMCXLKFYDAI-ZDUSSCGKSA-N -1 3 391.873 3.264 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C)c1ccco1 ZINC000503796481 567506604 /nfs/dbraw/zinc/50/66/04/567506604.db2.gz FOXVNLNITYSIGY-ZDUSSCGKSA-N -1 3 388.283 3.407 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccco1 ZINC000503808638 567507023 /nfs/dbraw/zinc/50/70/23/567507023.db2.gz DLSGDSSJOJQLKC-VIFPVBQESA-N -1 3 380.285 3.160 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccco1 ZINC000503835075 567507941 /nfs/dbraw/zinc/50/79/41/567507941.db2.gz YCCIGPLUSUCOHT-GFCCVEGCSA-N -1 3 381.347 3.494 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccco1 ZINC000503826613 567508112 /nfs/dbraw/zinc/50/81/12/567508112.db2.gz GBNYLJCQBIZUJX-ZDUSSCGKSA-N -1 3 381.347 3.494 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1Br)c1ccco1 ZINC000503834640 567508225 /nfs/dbraw/zinc/50/82/25/567508225.db2.gz WWJSTSIWPHNCOW-CYBMUJFWSA-N -1 3 388.283 3.407 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1Br)c1ccco1 ZINC000503856316 567509479 /nfs/dbraw/zinc/50/94/79/567509479.db2.gz PEJHKWNVRINAFF-GFCCVEGCSA-N -1 3 388.283 3.407 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)s1 ZINC000570748574 567509601 /nfs/dbraw/zinc/50/96/01/567509601.db2.gz AAIBBJTZWKZYRR-UHFFFAOYSA-N -1 3 391.877 3.108 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(Br)c1 ZINC000594773635 567510230 /nfs/dbraw/zinc/51/02/30/567510230.db2.gz AIDFKHMBAMXJHJ-SSDOTTSWSA-N -1 3 377.235 3.233 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1OCC ZINC000479165834 567511085 /nfs/dbraw/zinc/51/10/85/567511085.db2.gz XOFCRUTXRBETOF-HNNXBMFYSA-N -1 3 381.416 3.493 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccco1 ZINC000503887411 567511571 /nfs/dbraw/zinc/51/15/71/567511571.db2.gz VQVMJNJDCBTBRJ-GFCCVEGCSA-N -1 3 381.347 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Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(F)ccc1Br)OCO2 ZINC000479269644 567520493 /nfs/dbraw/zinc/52/04/93/567520493.db2.gz LYSRSSQDLZBXII-UHFFFAOYSA-N -1 3 388.214 3.426 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000570892509 567521503 /nfs/dbraw/zinc/52/15/03/567521503.db2.gz QXDZFFZBFMUZOU-ABAIWWIYSA-N -1 3 391.320 3.063 20 0 GGADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000620435318 567521697 /nfs/dbraw/zinc/52/16/97/567521697.db2.gz NHPSFTPWDQOTHP-YOGCLGLASA-N -1 3 391.320 3.061 20 0 GGADHM COc1cccc(C2(C[N-]S(=O)(=O)c3cc(OC)ccc3Cl)CC2)c1 ZINC000570915942 567522141 /nfs/dbraw/zinc/52/21/41/567522141.db2.gz DQYOZGGPLSAPFD-UHFFFAOYSA-N -1 3 381.881 3.367 20 0 GGADHM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1C ZINC000479281721 567522164 /nfs/dbraw/zinc/52/21/64/567522164.db2.gz NITCECHEQUHLPB-AWEZNQCLSA-N -1 3 381.519 3.252 20 0 GGADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)cc2s1 ZINC000479280798 567522423 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Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc(Br)ccc2C)s1 ZINC000438886820 567551728 /nfs/dbraw/zinc/55/17/28/567551728.db2.gz NZSKBWIATKVQSX-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM COc1ccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(Br)c1[O-] ZINC000644427792 567552511 /nfs/dbraw/zinc/55/25/11/567552511.db2.gz VAEKCQMFYYNQKU-RNCFNFMXSA-N -1 3 384.192 3.099 20 0 GGADHM O=C(Nc1cccc2c1CNC2=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000571310605 567553212 /nfs/dbraw/zinc/55/32/12/567553212.db2.gz NOLSGJUKAVYZBZ-UHFFFAOYSA-N -1 3 397.232 3.335 20 0 GGADHM O=C(Nc1cccc2c1CNC2=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000571310605 567553217 /nfs/dbraw/zinc/55/32/17/567553217.db2.gz NOLSGJUKAVYZBZ-UHFFFAOYSA-N -1 3 397.232 3.335 20 0 GGADHM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cc(C)nc(=O)[n-]1 ZINC000504937169 567553371 /nfs/dbraw/zinc/55/33/71/567553371.db2.gz QCWCOFNNXHMAAC-CQSZACIVSA-N -1 3 392.253 3.239 20 0 GGADHM CN(Cc1cc(Br)cs1)C(=O)COc1ccc2c([O-])coc2c1 ZINC000664134906 567553653 /nfs/dbraw/zinc/55/36/53/567553653.db2.gz 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GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000571373763 567557576 /nfs/dbraw/zinc/55/75/76/567557576.db2.gz ZQCHDPLFQUQEDQ-JBLDHEPKSA-N -1 3 376.400 3.452 20 0 GGADHM Cc1nc([C@@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000552090594 567557551 /nfs/dbraw/zinc/55/75/51/567557551.db2.gz OSLVGDJSQHHYMG-SECBINFHSA-N -1 3 394.349 3.387 20 0 GGADHM C[C@H](c1ncc(Br)cn1)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000438989750 567559979 /nfs/dbraw/zinc/55/99/79/567559979.db2.gz ZTZXXOAUEJGWBM-MRVPVSSYSA-N -1 3 380.271 3.142 20 0 GGADHM CCCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505130561 567561104 /nfs/dbraw/zinc/56/11/04/567561104.db2.gz VACFEJPSHWNKDO-UHFFFAOYSA-N -1 3 386.926 3.119 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000505122794 567561448 /nfs/dbraw/zinc/56/14/48/567561448.db2.gz DLFZIXVINMMNKG-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000571440432 567562613 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20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c1 ZINC000439186675 567570610 /nfs/dbraw/zinc/57/06/10/567570610.db2.gz GHNNYKNCZFNAQL-UHFFFAOYSA-N -1 3 383.882 3.279 20 0 GGADHM O=S(=O)([N-][C@@H](Cc1nnc[nH]1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000439188669 567570688 /nfs/dbraw/zinc/57/06/88/567570688.db2.gz FYFHWRVJMCJFHA-AWEZNQCLSA-N -1 3 397.287 3.374 20 0 GGADHM O=S(=O)([N-][C@@H](Cc1nc[nH]n1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000439188669 567570689 /nfs/dbraw/zinc/57/06/89/567570689.db2.gz FYFHWRVJMCJFHA-AWEZNQCLSA-N -1 3 397.287 3.374 20 0 GGADHM O=S(=O)([N-]Cc1noc(C(F)(F)F)n1)c1cc2cc(Cl)ccc2s1 ZINC000439199967 567571595 /nfs/dbraw/zinc/57/15/95/567571595.db2.gz PRGRHFVYMWGMTI-UHFFFAOYSA-N -1 3 397.787 3.435 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000479957168 567571685 /nfs/dbraw/zinc/57/16/85/567571685.db2.gz HQLUPRDMGOCOHB-IINYFYTJSA-N -1 3 375.899 3.465 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)s1 ZINC000571556445 567571794 /nfs/dbraw/zinc/57/17/94/567571794.db2.gz LPZVRBVDLPTHRG-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000530133554 567571777 /nfs/dbraw/zinc/57/17/77/567571777.db2.gz GLYGPYXHGZXDLJ-UHFFFAOYSA-N -1 3 376.865 3.285 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000552258920 567571855 /nfs/dbraw/zinc/57/18/55/567571855.db2.gz FOHCIGZRIAYPPZ-VHSXEESVSA-N -1 3 382.379 3.041 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(SC)ccc2Cl)ccc1F ZINC000552261945 567571933 /nfs/dbraw/zinc/57/19/33/567571933.db2.gz YDGSAUMPHUNCEM-UHFFFAOYSA-N -1 3 388.873 3.361 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2csc(-c3cccs3)n2)ccc1F ZINC000552263679 567572020 /nfs/dbraw/zinc/57/20/20/567572020.db2.gz TURDVHROALBIMS-UHFFFAOYSA-N -1 3 397.478 3.171 20 0 GGADHM C[C@H](C(=O)N=c1[nH][n-]cc1Br)c1ccc(Br)s1 ZINC000552287176 567573040 /nfs/dbraw/zinc/57/30/40/567573040.db2.gz KJANEYRCTHRREC-YFKPBYRVSA-N -1 3 379.077 3.160 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cc2cc(Br)ccc2o1 ZINC000552274127 567573429 /nfs/dbraw/zinc/57/34/29/567573429.db2.gz AVXLNLDGNXQRPB-UHFFFAOYSA-N -1 3 385.015 3.355 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)s1 ZINC000439239900 567574718 /nfs/dbraw/zinc/57/47/18/567574718.db2.gz RWUDXLNVRXSVBQ-UHFFFAOYSA-N -1 3 381.342 3.371 20 0 GGADHM CC1(C)CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000552299903 567574821 /nfs/dbraw/zinc/57/48/21/567574821.db2.gz LKHQRFBHVLXPKT-LLVKDONJSA-N -1 3 393.336 3.214 20 0 GGADHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3)c1 ZINC000530145214 567575059 /nfs/dbraw/zinc/57/50/59/567575059.db2.gz OTDMWNGKPHQHCB-UHFFFAOYSA-N -1 3 385.894 3.033 20 0 GGADHM C[C@H]1CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000552295008 567575354 /nfs/dbraw/zinc/57/53/54/567575354.db2.gz OGEMRXNEKOEUEU-NWDGAFQWSA-N -1 3 393.336 3.214 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CC2(OC)CCC2)c(F)cc1F ZINC000480021984 567575741 /nfs/dbraw/zinc/57/57/41/567575741.db2.gz PERAGPKAPIQWAE-UHFFFAOYSA-N -1 3 376.425 3.014 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1Br)C(=O)[N-]c1nncn1C1CC1 ZINC000552321834 567575953 /nfs/dbraw/zinc/57/59/53/567575953.db2.gz MGBALTPVSKFYLF-CQSZACIVSA-N -1 3 379.258 3.418 20 0 GGADHM Cc1ccc2sc(CS(=O)(=O)Cc3cc(=O)[n-]c(C4CC4)n3)nc2c1 ZINC000530147922 567576815 /nfs/dbraw/zinc/57/68/15/567576815.db2.gz QTKKOUUIRYYMHE-UHFFFAOYSA-N -1 3 375.475 3.093 20 0 GGADHM C[C@H]1OCCC[C@@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000480046416 567577851 /nfs/dbraw/zinc/57/78/51/567577851.db2.gz QPQBVRLCWUKGIB-RNCFNFMXSA-N -1 3 382.233 3.154 20 0 GGADHM Cn1ncc2c1nc(CN1CC[C@@H](Sc3cccc(Cl)c3)C1)[n-]c2=O ZINC000644786116 567578859 /nfs/dbraw/zinc/57/88/59/567578859.db2.gz XJKQZLLOIAEDOR-CYBMUJFWSA-N -1 3 375.885 3.089 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)s1 ZINC000621329356 567579318 /nfs/dbraw/zinc/57/93/18/567579318.db2.gz CFOBIDNBTXZWFE-VIFPVBQESA-N -1 3 390.889 3.216 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)s1 ZINC000621329355 567579918 /nfs/dbraw/zinc/57/99/18/567579918.db2.gz CFOBIDNBTXZWFE-SECBINFHSA-N -1 3 390.889 3.216 20 0 GGADHM O=C([O-])c1ccc(F)c2c1CN(C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000530169752 567580087 /nfs/dbraw/zinc/58/00/87/567580087.db2.gz UIPBATDEVDQCGS-KRWDZBQOSA-N -1 3 394.240 3.378 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000552340916 567580583 /nfs/dbraw/zinc/58/05/83/567580583.db2.gz ALAXYNVEEHGUBH-UHFFFAOYSA-N -1 3 376.569 3.004 20 0 GGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2ccc(Br)cc2C1 ZINC000552345827 567580753 /nfs/dbraw/zinc/58/07/53/567580753.db2.gz ODSOSXKKYOHMDI-UHFFFAOYSA-N -1 3 383.245 3.489 20 0 GGADHM CCCC[C@@H](CC)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000552357492 567581700 /nfs/dbraw/zinc/58/17/00/567581700.db2.gz BREWTDLXQSJFGR-CYBMUJFWSA-N -1 3 394.534 3.082 20 0 GGADHM CCCC[C@H](CC)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000552357493 567582042 /nfs/dbraw/zinc/58/20/42/567582042.db2.gz BREWTDLXQSJFGR-ZDUSSCGKSA-N -1 3 394.534 3.082 20 0 GGADHM CSc1nsc([N-]C(=O)c2cc(Br)cc3c2OCCO3)n1 ZINC000621396265 567582787 /nfs/dbraw/zinc/58/27/87/567582787.db2.gz OLRFMNVADNKQOI-UHFFFAOYSA-N -1 3 388.268 3.046 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c(=O)[nH]1 ZINC000480192117 567585907 /nfs/dbraw/zinc/58/59/07/567585907.db2.gz POGYNNUJPPHZFO-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM CCc1c([N-]S(=O)(=O)N(C)CC)cnn1-c1cccc(C(F)(F)F)c1 ZINC000480191856 567586174 /nfs/dbraw/zinc/58/61/74/567586174.db2.gz DBJLFBDUFZPTBS-UHFFFAOYSA-N -1 3 376.404 3.062 20 0 GGADHM CC(C)(C)CS(=O)(=O)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000644871364 567586272 /nfs/dbraw/zinc/58/62/72/567586272.db2.gz HKEZWYJFBMJPFT-UHFFFAOYSA-N -1 3 392.212 3.471 20 0 GGADHM O=S(=O)(CC1CCC1)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000644871582 567586991 /nfs/dbraw/zinc/58/69/91/567586991.db2.gz ZPXLWKWKZSNADH-UHFFFAOYSA-N -1 3 390.196 3.225 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c(=O)[nH]1 ZINC000480226449 567590691 /nfs/dbraw/zinc/59/06/91/567590691.db2.gz OMCRWOPFXWKMLZ-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM C[C@@H]1C[C@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CO1 ZINC000439501558 567590769 /nfs/dbraw/zinc/59/07/69/567590769.db2.gz SZROUVFKVHZGIB-BDAKNGLRSA-N -1 3 384.661 3.278 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H](CO)c1ccccc1Cl ZINC000552463228 567591714 /nfs/dbraw/zinc/59/17/14/567591714.db2.gz DRTCHSDPOOYHGI-LBPRGKRZSA-N -1 3 398.684 3.243 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000552474710 567592443 /nfs/dbraw/zinc/59/24/43/567592443.db2.gz WKPNQAADRDLTOV-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000530331492 567593751 /nfs/dbraw/zinc/59/37/51/567593751.db2.gz YJECAKIOIZVNIS-ZDUSSCGKSA-N -1 3 387.885 3.176 20 0 GGADHM C[C@H]1C[C@@]1(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000505744177 567594371 /nfs/dbraw/zinc/59/43/71/567594371.db2.gz OUMQNKNJBQSGCF-SGTLLEGYSA-N -1 3 378.881 3.377 20 0 GGADHM C[C@@H]1C[C@@]1(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000505744178 567594563 /nfs/dbraw/zinc/59/45/63/567594563.db2.gz OUMQNKNJBQSGCF-XIKOKIGWSA-N -1 3 378.881 3.377 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)c1 ZINC000571870025 567595584 /nfs/dbraw/zinc/59/55/84/567595584.db2.gz YVVCWNQRDKJCFM-MGPLVRAMSA-N -1 3 398.278 3.258 20 0 GGADHM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000530374570 567596267 /nfs/dbraw/zinc/59/62/67/567596267.db2.gz NJHWWTMDBVHVSD-RISCZKNCSA-N -1 3 385.532 3.160 20 0 GGADHM CC(C)(C)n1cc(Br)c(-c2nc(-c3ccc4n[n-]nc4c3)no2)n1 ZINC000664879296 567596411 /nfs/dbraw/zinc/59/64/11/567596411.db2.gz VYCFXOFUTFHEDT-UHFFFAOYSA-N -1 3 388.229 3.389 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1OC ZINC000530385780 567597740 /nfs/dbraw/zinc/59/77/40/567597740.db2.gz WDSRDXBCQYJQKT-UHFFFAOYSA-N -1 3 375.899 3.248 20 0 GGADHM CNC(=O)Cc1nc(=O)c2c(-c3ccc(Br)cc3)csc2[n-]1 ZINC000644990922 567597933 /nfs/dbraw/zinc/59/79/33/567597933.db2.gz NDVYOCKYIBNGLO-UHFFFAOYSA-N -1 3 378.251 3.115 20 0 GGADHM O=C([O-])[C@@H]1CC[C@H](NCc2cc(Cl)ccc2I)C1 ZINC000596022762 567598904 /nfs/dbraw/zinc/59/89/04/567598904.db2.gz WJXRYVCNFAAAOA-KCJUWKMLSA-N -1 3 379.625 3.288 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccc(F)c(F)c1 ZINC000552617927 567599055 /nfs/dbraw/zinc/59/90/55/567599055.db2.gz JWDUECTZEBISRB-OAHLLOKOSA-N -1 3 377.359 3.217 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)ccc1F ZINC000552604898 567599212 /nfs/dbraw/zinc/59/92/12/567599212.db2.gz CDAGRJKXHMEDRR-UHFFFAOYSA-N -1 3 395.214 3.432 20 0 GGADHM CCOC1CC(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000530404330 567599284 /nfs/dbraw/zinc/59/92/84/567599284.db2.gz AZCGBZLJNLWZEM-UHFFFAOYSA-N -1 3 393.281 3.226 20 0 GGADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000530422388 567599980 /nfs/dbraw/zinc/59/99/80/567599980.db2.gz RKMSOHMGSHNUOQ-RKDXNWHRSA-N -1 3 395.232 3.317 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000480406532 567600625 /nfs/dbraw/zinc/60/06/25/567600625.db2.gz DUIZLSCZEWIYQS-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)c(F)c1 ZINC000530427225 567600721 /nfs/dbraw/zinc/60/07/21/567600721.db2.gz VJALICCZOZOFQA-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C)CCC(OC)CC2)c(Cl)c1 ZINC000480393390 567601206 /nfs/dbraw/zinc/60/12/06/567601206.db2.gz DJSGMWQAHZEGDO-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000480410949 567601462 /nfs/dbraw/zinc/60/14/62/567601462.db2.gz KXBJIGYQQWUHDV-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000480411394 567602762 /nfs/dbraw/zinc/60/27/62/567602762.db2.gz NVMOIXSYSIOINO-UHFFFAOYSA-N -1 3 383.267 3.321 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000645089097 567603572 /nfs/dbraw/zinc/60/35/72/567603572.db2.gz HOURLWMQIVMAFA-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(Br)c2)nc1C ZINC000645094346 567603986 /nfs/dbraw/zinc/60/39/86/567603986.db2.gz IEMJPZWJQGPWQX-SECBINFHSA-N -1 3 390.278 3.153 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000645082601 567604015 /nfs/dbraw/zinc/60/40/15/567604015.db2.gz FVZLLBUIGOEXNE-CYBMUJFWSA-N -1 3 375.343 3.456 20 0 GGADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000530474209 567604497 /nfs/dbraw/zinc/60/44/97/567604497.db2.gz CIGQMIYJDWWKSI-UWVGGRQHSA-N -1 3 394.244 3.344 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)cc1F ZINC000645102195 567605175 /nfs/dbraw/zinc/60/51/75/567605175.db2.gz CNFPVRSPZLRGBX-UHFFFAOYSA-N -1 3 381.322 3.492 20 0 GGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(F)cc3[n-]nnc31)CC2 ZINC000506013937 567606721 /nfs/dbraw/zinc/60/67/21/567606721.db2.gz CZHRZWRTTVWUBI-UHFFFAOYSA-N -1 3 389.228 3.366 20 0 GGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(F)cc3nn[n-]c31)CC2 ZINC000506013937 567606726 /nfs/dbraw/zinc/60/67/26/567606726.db2.gz CZHRZWRTTVWUBI-UHFFFAOYSA-N -1 3 389.228 3.366 20 0 GGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(F)cc3n[n-]nc31)CC2 ZINC000506013937 567606732 /nfs/dbraw/zinc/60/67/32/567606732.db2.gz CZHRZWRTTVWUBI-UHFFFAOYSA-N -1 3 389.228 3.366 20 0 GGADHM Cc1ncc(Br)cc1[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000572045603 567609075 /nfs/dbraw/zinc/60/90/75/567609075.db2.gz VHCJCKNYOMFMEY-UHFFFAOYSA-N -1 3 397.294 3.072 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(Cl)cccc2n1 ZINC000552787702 567609343 /nfs/dbraw/zinc/60/93/43/567609343.db2.gz VEVGPUMDROBKGX-SNVBAGLBSA-N -1 3 395.893 3.255 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]Cc1ncccc1F ZINC000530534169 567609995 /nfs/dbraw/zinc/60/99/95/567609995.db2.gz GCHJMRKHQVMFCE-UHFFFAOYSA-N -1 3 393.665 3.256 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)nc1 ZINC000506111558 567610400 /nfs/dbraw/zinc/61/04/00/567610400.db2.gz GVPPGARHLJCKJX-UHFFFAOYSA-N -1 3 389.253 3.343 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cnc2c(F)cccc2c1 ZINC000506112943 567610731 /nfs/dbraw/zinc/61/07/31/567610731.db2.gz OLHNNVRBBTVLOQ-UHFFFAOYSA-N -1 3 385.196 3.458 20 0 GGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000459289194 567610948 /nfs/dbraw/zinc/61/09/48/567610948.db2.gz AAVXWPRVUPEECB-WBVHZDCISA-N -1 3 380.275 3.457 20 0 GGADHM C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCc2ccccc21 ZINC000506117315 567610920 /nfs/dbraw/zinc/61/09/20/567610920.db2.gz DCAVFLDKURBYOB-QGZVFWFLSA-N -1 3 398.937 3.048 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000440015079 567611199 /nfs/dbraw/zinc/61/11/99/567611199.db2.gz XSKWQABYSDZHMX-CQSZACIVSA-N -1 3 378.416 3.299 20 0 GGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000459289190 567611484 /nfs/dbraw/zinc/61/14/84/567611484.db2.gz AAVXWPRVUPEECB-NVXWUHKLSA-N -1 3 380.275 3.457 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000572073764 567611622 /nfs/dbraw/zinc/61/16/22/567611622.db2.gz KLWWIKSKIIIVPK-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cccc([O-])c1Br ZINC000459294669 567612868 /nfs/dbraw/zinc/61/28/68/567612868.db2.gz KYGBMHVBZRCKPX-UHFFFAOYSA-N -1 3 395.272 3.432 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCCCC1 ZINC000506199864 567614338 /nfs/dbraw/zinc/61/43/38/567614338.db2.gz SHEBZXYXDPMYEM-UHFFFAOYSA-N -1 3 393.322 3.131 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](C)CCCOC)c(F)cc1F ZINC000480599336 567614872 /nfs/dbraw/zinc/61/48/72/567614872.db2.gz YLOMFCCJTAFIFK-LLVKDONJSA-N -1 3 378.441 3.118 20 0 GGADHM CN(Cc1cccc([O-])c1Br)C[C@@H](O)COCc1ccccc1 ZINC000459324042 567615087 /nfs/dbraw/zinc/61/50/87/567615087.db2.gz KEEOSXIZGDCYNQ-MRXNPFEDSA-N -1 3 380.282 3.164 20 0 GGADHM O=C(CSCC(=O)N1CCCCC1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000530637309 567616616 /nfs/dbraw/zinc/61/66/16/567616616.db2.gz YLKWNEPDPSMFCX-UHFFFAOYSA-N -1 3 376.400 3.095 20 0 GGADHM COc1ccc(OC)c(CN(CCO)Cc2cccc([O-])c2Br)c1 ZINC000459349895 567616910 /nfs/dbraw/zinc/61/69/10/567616910.db2.gz NRVFUWOQWCWWIX-UHFFFAOYSA-N -1 3 396.281 3.166 20 0 GGADHM O=C(c1ccsc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459333672 567616940 /nfs/dbraw/zinc/61/69/40/567616940.db2.gz ZUCQCIFEGLEGCK-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM O=C1CCCCN1CC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459339393 567617407 /nfs/dbraw/zinc/61/74/07/567617407.db2.gz HZAPDVVPHXSJLV-UHFFFAOYSA-N -1 3 381.314 3.379 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1cc(Cl)ccc1Cl ZINC000506233352 567617384 /nfs/dbraw/zinc/61/73/84/567617384.db2.gz NRNJHOGHILLUDH-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)Cc1cc(C)no1)c1ccccc1Cl ZINC000530666936 567617850 /nfs/dbraw/zinc/61/78/50/567617850.db2.gz BPKQLJGTIGJAAV-QGZVFWFLSA-N -1 3 385.917 3.139 20 0 GGADHM COc1ccc(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)c(Br)c1OC ZINC000572168637 567617987 /nfs/dbraw/zinc/61/79/87/567617987.db2.gz GCLXFYQYVHCJDZ-KRWDZBQOSA-N -1 3 386.286 3.399 20 0 GGADHM COc1cc(OC)c(OC)cc1CNCc1cccc([O-])c1Br ZINC000459374092 567618442 /nfs/dbraw/zinc/61/84/42/567618442.db2.gz SWTDQCIQXZXFLY-UHFFFAOYSA-N -1 3 382.254 3.470 20 0 GGADHM C[C@@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Br)cc3[O-])ccc2N1C ZINC000530699585 567619358 /nfs/dbraw/zinc/61/93/58/567619358.db2.gz VQDUCNOFSQVOJZ-SECBINFHSA-N -1 3 390.237 3.184 20 0 GGADHM O=S(=O)(CCCNCc1cccc([O-])c1Br)Cc1ccccc1 ZINC000459392807 567620365 /nfs/dbraw/zinc/62/03/65/567620365.db2.gz QHHWQNPRRQHGJN-UHFFFAOYSA-N -1 3 398.322 3.249 20 0 GGADHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000645830814 567673006 /nfs/dbraw/zinc/67/30/06/567673006.db2.gz AXSDUHGIGGHPSZ-ZJUUUORDSA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)C[C@H](CNCc1cn(-c2ccccc2Br)nn1)CC(=O)[O-] ZINC000665353073 567620933 /nfs/dbraw/zinc/62/09/33/567620933.db2.gz WSWQJOGQFAZWNT-ZDUSSCGKSA-N -1 3 395.301 3.256 20 0 GGADHM O=c1cc(CN[C@@H](CCO)c2ccccc2Br)nc(C2CC2)[n-]1 ZINC000459400951 567621896 /nfs/dbraw/zinc/62/18/96/567621896.db2.gz CVBJYXHMYCXOBV-HNNXBMFYSA-N -1 3 378.270 3.035 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c(Cl)c1Cl ZINC000440297904 567622044 /nfs/dbraw/zinc/62/20/44/567622044.db2.gz ZNFSYJZXRHBIFH-UHFFFAOYSA-N -1 3 393.223 3.041 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000621925832 567622401 /nfs/dbraw/zinc/62/24/01/567622401.db2.gz PKDNFUVZFOQBRW-MRVPVSSYSA-N -1 3 375.347 3.421 20 0 GGADHM [O-]c1cccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c1Br ZINC000459406388 567622590 /nfs/dbraw/zinc/62/25/90/567622590.db2.gz CYDQHUFONWZBBN-XJKSGUPXSA-N -1 3 386.236 3.482 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000480710528 567623443 /nfs/dbraw/zinc/62/34/43/567623443.db2.gz DRYJIQUTBHYPHK-OCCSQVGLSA-N -1 3 383.466 3.288 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000480723967 567623461 /nfs/dbraw/zinc/62/34/61/567623461.db2.gz UFRZLHDFRKFDAA-RDJZCZTQSA-N -1 3 385.844 3.296 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)c(F)c1 ZINC000480713499 567623472 /nfs/dbraw/zinc/62/34/72/567623472.db2.gz WCQCDSIRVCMAAM-LLVKDONJSA-N -1 3 380.466 3.354 20 0 GGADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000440371948 567623748 /nfs/dbraw/zinc/62/37/48/567623748.db2.gz MPIJELGTPJHAST-UHFFFAOYSA-N -1 3 378.182 3.266 20 0 GGADHM COc1ccccc1N1CC[C@H](NCc2cccc([O-])c2Br)C1=O ZINC000459431382 567624004 /nfs/dbraw/zinc/62/40/04/567624004.db2.gz FEJBWQCAXBGPQE-ZDUSSCGKSA-N -1 3 391.265 3.058 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000530777582 567624091 /nfs/dbraw/zinc/62/40/91/567624091.db2.gz HFOOHOFSLAQKAT-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM [O-]c1cccc(CNCCNc2nccc(C(F)(F)F)n2)c1Br ZINC000459429370 567624240 /nfs/dbraw/zinc/62/42/40/567624240.db2.gz KISZYNWSWQQQOS-UHFFFAOYSA-N -1 3 391.191 3.165 20 0 GGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000480728544 567624641 /nfs/dbraw/zinc/62/46/41/567624641.db2.gz QFDMACHUIFBGFA-SNVBAGLBSA-N -1 3 385.379 3.243 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c(F)cc1F ZINC000440393084 567625135 /nfs/dbraw/zinc/62/51/35/567625135.db2.gz TYQUFHBHROPJIF-UHFFFAOYSA-N -1 3 377.359 3.396 20 0 GGADHM O=C(Cc1cncc([O-])c1)NCc1cc(Br)ccc1OC(F)F ZINC000553084497 567625418 /nfs/dbraw/zinc/62/54/18/567625418.db2.gz NMSISXXAPGCWBQ-UHFFFAOYSA-N -1 3 387.180 3.010 20 0 GGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000553077036 567625549 /nfs/dbraw/zinc/62/55/49/567625549.db2.gz OMDWYEIHFQGPQK-UHFFFAOYSA-N -1 3 386.832 3.038 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c(F)cc1F ZINC000440390719 567625604 /nfs/dbraw/zinc/62/56/04/567625604.db2.gz ZQXQYKMTFPYLDI-HNNXBMFYSA-N -1 3 386.489 3.450 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cccs1 ZINC000530826230 567625714 /nfs/dbraw/zinc/62/57/14/567625714.db2.gz QYLQGGGAFLVFDE-CYBMUJFWSA-N -1 3 395.897 3.107 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccs1 ZINC000530826230 567625720 /nfs/dbraw/zinc/62/57/20/567625720.db2.gz QYLQGGGAFLVFDE-CYBMUJFWSA-N -1 3 395.897 3.107 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)N2CCc3sccc3C2)c(F)cc1F ZINC000440384184 567625857 /nfs/dbraw/zinc/62/58/57/567625857.db2.gz PZXUECLNKADQHE-GFCCVEGCSA-N -1 3 386.489 3.060 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000645458431 567626165 /nfs/dbraw/zinc/62/61/65/567626165.db2.gz WUVGMRONTCLLTR-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000480746126 567626233 /nfs/dbraw/zinc/62/62/33/567626233.db2.gz DVIYUIMTRJLGFG-IUODEOHRSA-N -1 3 383.466 3.288 20 0 GGADHM CN(C)[C@@]1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCSC1 ZINC000440418231 567626744 /nfs/dbraw/zinc/62/67/44/567626744.db2.gz SPQKFEJXTTYJAA-QGZVFWFLSA-N -1 3 384.954 3.209 20 0 GGADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000480755349 567627307 /nfs/dbraw/zinc/62/73/07/567627307.db2.gz MGAYINGCZTZFCK-SCLBCKFNSA-N -1 3 385.888 3.387 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000621980022 567627291 /nfs/dbraw/zinc/62/72/91/567627291.db2.gz GKTPDVVJMARZNZ-UHFFFAOYSA-N -1 3 394.244 3.406 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)sc1Br ZINC000480749063 567627459 /nfs/dbraw/zinc/62/74/59/567627459.db2.gz IYDYOWPDTSGBKX-SNVBAGLBSA-N -1 3 398.344 3.218 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000621981161 567627607 /nfs/dbraw/zinc/62/76/07/567627607.db2.gz FWVYHCNCJWNBAB-CQSZACIVSA-N -1 3 394.244 3.406 20 0 GGADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000480755350 567627558 /nfs/dbraw/zinc/62/75/58/567627558.db2.gz MGAYINGCZTZFCK-UGSOOPFHSA-N -1 3 385.888 3.387 20 0 GGADHM CCS(=O)(=O)c1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459474864 567627697 /nfs/dbraw/zinc/62/76/97/567627697.db2.gz WCLRVDFYSFVYKG-UHFFFAOYSA-N -1 3 384.295 3.238 20 0 GGADHM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cccc([O-])c1Br ZINC000459474462 567627778 /nfs/dbraw/zinc/62/77/78/567627778.db2.gz FAWJJZYBCWAYLX-KRWDZBQOSA-N -1 3 375.266 3.136 20 0 GGADHM COc1cc([C@@H](C)NCc2cccc([O-])c2Br)ccc1OCCO ZINC000459465066 567627876 /nfs/dbraw/zinc/62/78/76/567627876.db2.gz IMGZGLUOHZLPTQ-GFCCVEGCSA-N -1 3 396.281 3.385 20 0 GGADHM COc1cc([C@H](C)NCc2cccc([O-])c2Br)ccc1OCCO ZINC000459465067 567628113 /nfs/dbraw/zinc/62/81/13/567628113.db2.gz IMGZGLUOHZLPTQ-LBPRGKRZSA-N -1 3 396.281 3.385 20 0 GGADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)Cc1ccccc1 ZINC000480757338 567628789 /nfs/dbraw/zinc/62/87/89/567628789.db2.gz QLADNYRQYDMHIX-SCLBCKFNSA-N -1 3 385.888 3.387 20 0 GGADHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)Cc1ccccc1 ZINC000480757336 567628918 /nfs/dbraw/zinc/62/89/18/567628918.db2.gz QLADNYRQYDMHIX-FZKQIMNGSA-N -1 3 385.888 3.387 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)o1 ZINC000480759340 567628957 /nfs/dbraw/zinc/62/89/57/567628957.db2.gz PLGJHTNGWWKJOF-UHFFFAOYSA-N -1 3 379.821 3.351 20 0 GGADHM CC(C)c1nc([C@@H]2COCCN2Cc2cccc([O-])c2Br)no1 ZINC000459490388 567629187 /nfs/dbraw/zinc/62/91/87/567629187.db2.gz XZGSZBOTLWFTRP-LBPRGKRZSA-N -1 3 382.258 3.235 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)cn1 ZINC000572305150 567629904 /nfs/dbraw/zinc/62/99/04/567629904.db2.gz VNEOAEFTYZQQGV-UHFFFAOYSA-N -1 3 377.535 3.048 20 0 GGADHM CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc([O-])c1Br ZINC000459486044 567629877 /nfs/dbraw/zinc/62/98/77/567629877.db2.gz JQUAORBYLXWJID-BBRMVZONSA-N -1 3 380.286 3.381 20 0 GGADHM CCOc1cc(CNCc2ccc(C)c(S(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000459506598 567630491 /nfs/dbraw/zinc/63/04/91/567630491.db2.gz KYKDYWDIVKJIHV-UHFFFAOYSA-N -1 3 383.897 3.446 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000572333044 567630952 /nfs/dbraw/zinc/63/09/52/567630952.db2.gz VGHMXTDBKFTQPW-HONMWMINSA-N -1 3 392.290 3.070 20 0 GGADHM COC(=O)[C@](C)(CNCc1cccc([O-])c1Br)c1ccccc1 ZINC000459496765 567630875 /nfs/dbraw/zinc/63/08/75/567630875.db2.gz PWQDEDRYHZLYJS-GOSISDBHSA-N -1 3 378.266 3.375 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000480780714 567631330 /nfs/dbraw/zinc/63/13/30/567631330.db2.gz RLDXKWRSYKYOCF-UHFFFAOYSA-N -1 3 379.791 3.060 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)[C@H]2CCCO[C@H]21 ZINC000572333045 567631496 /nfs/dbraw/zinc/63/14/96/567631496.db2.gz VGHMXTDBKFTQPW-LERXQTSPSA-N -1 3 392.290 3.070 20 0 GGADHM C[C@@H](NCc1cccc([O-])c1Br)C(=O)N1Cc2ccccc2C1 ZINC000459520224 567632036 /nfs/dbraw/zinc/63/20/36/567632036.db2.gz GBDRFXHYQUYPCJ-GFCCVEGCSA-N -1 3 375.266 3.175 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2Cl)c1OC ZINC000506594687 567632826 /nfs/dbraw/zinc/63/28/26/567632826.db2.gz MYPBJZXPZPFATE-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM CCCn1cc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)nn1 ZINC000665647428 567632781 /nfs/dbraw/zinc/63/27/81/567632781.db2.gz IODLWTNZWYXVPV-UHFFFAOYSA-N -1 3 378.845 3.024 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000622043335 567633247 /nfs/dbraw/zinc/63/32/47/567633247.db2.gz ZAJSKQNJYWUBQP-SECBINFHSA-N -1 3 379.791 3.497 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000622042630 567633654 /nfs/dbraw/zinc/63/36/54/567633654.db2.gz FVGFGYKTNCBYBB-VIFPVBQESA-N -1 3 377.800 3.079 20 0 GGADHM FC(F)(F)c1nsc(Sc2n[n-]c(-c3ccc4c(c3)OCCO4)n2)n1 ZINC000553183036 567633823 /nfs/dbraw/zinc/63/38/23/567633823.db2.gz AFEWXRLPRUKXDX-UHFFFAOYSA-N -1 3 387.368 3.264 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000622042629 567633899 /nfs/dbraw/zinc/63/38/99/567633899.db2.gz FVGFGYKTNCBYBB-SECBINFHSA-N -1 3 377.800 3.079 20 0 GGADHM CCc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000506631291 567634118 /nfs/dbraw/zinc/63/41/18/567634118.db2.gz DIHDPLNOIVFJAC-UHFFFAOYSA-N -1 3 387.914 3.064 20 0 GGADHM NC(=O)CCSc1ccccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506624459 567634317 /nfs/dbraw/zinc/63/43/17/567634317.db2.gz OKVUPCPFTCEXBC-UHFFFAOYSA-N -1 3 398.937 3.292 20 0 GGADHM Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccc([O-])c2Br)cc1 ZINC000459539489 567634376 /nfs/dbraw/zinc/63/43/76/567634376.db2.gz TZDPDLPBHICTCE-ZDUSSCGKSA-N -1 3 398.322 3.415 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000480843879 567634988 /nfs/dbraw/zinc/63/49/88/567634988.db2.gz VZVFPUZFIXXGDJ-UHFFFAOYSA-N -1 3 389.249 3.312 20 0 GGADHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000480847857 567635051 /nfs/dbraw/zinc/63/50/51/567635051.db2.gz BMLPWCZEUJLISK-NOZJJQNGSA-N -1 3 382.835 3.120 20 0 GGADHM Cc1csc2ncnc(N3CCC([N-]S(=O)(=O)c4cccs4)CC3)c12 ZINC000665689857 567635695 /nfs/dbraw/zinc/63/56/95/567635695.db2.gz INMXFAFEJAWBNH-UHFFFAOYSA-N -1 3 394.547 3.009 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000530998392 567635771 /nfs/dbraw/zinc/63/57/71/567635771.db2.gz HXXSPMAOOBKGIQ-AWEZNQCLSA-N -1 3 398.472 3.044 20 0 GGADHM CC(C)(C)OC(=O)CN[C@]1(C)CCN(Cc2cccc([O-])c2Br)C1 ZINC000459550291 567636002 /nfs/dbraw/zinc/63/60/02/567636002.db2.gz IAARDPZIKQLHHZ-GOSISDBHSA-N -1 3 399.329 3.050 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000480855800 567636408 /nfs/dbraw/zinc/63/64/08/567636408.db2.gz IYBFAZPJRGUXJS-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000480850460 567636732 /nfs/dbraw/zinc/63/67/32/567636732.db2.gz HJKTUYZZDSJQEQ-VIFPVBQESA-N -1 3 391.237 3.032 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000622066518 567636674 /nfs/dbraw/zinc/63/66/74/567636674.db2.gz FSUGMGZUSXFZIV-GFCCVEGCSA-N -1 3 379.229 3.394 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645518381 567636864 /nfs/dbraw/zinc/63/68/64/567636864.db2.gz LJVSTTPPCHMYPL-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000622066519 567636827 /nfs/dbraw/zinc/63/68/27/567636827.db2.gz FSUGMGZUSXFZIV-LBPRGKRZSA-N -1 3 379.229 3.394 20 0 GGADHM CCC(CC)CN(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000506667162 567636828 /nfs/dbraw/zinc/63/68/28/567636828.db2.gz ZTEDILBYNNODPX-UHFFFAOYSA-N -1 3 395.978 3.148 20 0 GGADHM COc1cc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)ccc1[O-] ZINC000506660017 567636843 /nfs/dbraw/zinc/63/68/43/567636843.db2.gz DDHMVSIKIRBUGT-GFCCVEGCSA-N -1 3 382.185 3.166 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1cncc(Br)c1 ZINC000480870853 567637801 /nfs/dbraw/zinc/63/78/01/567637801.db2.gz YYMKHPUUAMEEDF-ZDUSSCGKSA-N -1 3 389.315 3.004 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645525631 567637881 /nfs/dbraw/zinc/63/78/81/567637881.db2.gz MQMBRQANNANDJG-GFCCVEGCSA-N -1 3 398.834 3.001 20 0 GGADHM NC(=O)c1cccc(CN(Cc2cccc([O-])c2Br)C2CC2)c1 ZINC000459558513 567637897 /nfs/dbraw/zinc/63/78/97/567637897.db2.gz AIVDVTCTRAPTSL-UHFFFAOYSA-N -1 3 375.266 3.418 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccc(Cl)cc3)cc2F)c1 ZINC000480867913 567637978 /nfs/dbraw/zinc/63/79/78/567637978.db2.gz UNUVDBHKGHEYLP-UHFFFAOYSA-N -1 3 379.844 3.358 20 0 GGADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000553238754 567637992 /nfs/dbraw/zinc/63/79/92/567637992.db2.gz IKOYSHYHPBEYES-SKDRFNHKSA-N -1 3 382.707 3.196 20 0 GGADHM CN(CCn1cc(Br)cn1)Cc1cccc([O-])c1Br ZINC000459568094 567638352 /nfs/dbraw/zinc/63/83/52/567638352.db2.gz VNSSFOZYRMTPQN-UHFFFAOYSA-N -1 3 389.091 3.246 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)cn1 ZINC000645527745 567638414 /nfs/dbraw/zinc/63/84/14/567638414.db2.gz OTVJNYNGHOVZDU-UHFFFAOYSA-N -1 3 394.802 3.463 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(Cl)cc1F)c1ccc(Cl)cc1F ZINC000440677121 567639787 /nfs/dbraw/zinc/63/97/87/567639787.db2.gz SKENYWKEPWQZSG-UHFFFAOYSA-N -1 3 382.219 3.057 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440706836 567640520 /nfs/dbraw/zinc/64/05/20/567640520.db2.gz VNPUZAUWRAXCLB-FZMZJTMJSA-N -1 3 380.432 3.084 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645563399 567640816 /nfs/dbraw/zinc/64/08/16/567640816.db2.gz AVWJMZKXHKMNSK-KOLCDFICSA-N -1 3 387.807 3.068 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645563398 567640973 /nfs/dbraw/zinc/64/09/73/567640973.db2.gz AVWJMZKXHKMNSK-GXSJLCMTSA-N -1 3 387.807 3.068 20 0 GGADHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645561815 567640980 /nfs/dbraw/zinc/64/09/80/567640980.db2.gz JAWOAZUGRDHDGC-SNVBAGLBSA-N -1 3 375.796 3.068 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000665859110 567641542 /nfs/dbraw/zinc/64/15/42/567641542.db2.gz LXCYIUHDAWCBJN-CXAGYDPISA-N -1 3 382.551 3.010 20 0 GGADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]Cc1nnc(C2CC2)s1 ZINC000572465956 567642169 /nfs/dbraw/zinc/64/21/69/567642169.db2.gz LRZINIHVRFVHEO-UHFFFAOYSA-N -1 3 377.413 3.054 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1nc(C)cs1 ZINC000645565532 567642813 /nfs/dbraw/zinc/64/28/13/567642813.db2.gz RGCYBZAOXKAJEO-CYBMUJFWSA-N -1 3 379.429 3.469 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCN3CCCCCC3)s2)cs1 ZINC000480936241 567643735 /nfs/dbraw/zinc/64/37/35/567643735.db2.gz VMRCQKPQLQPUOE-UHFFFAOYSA-N -1 3 385.580 3.334 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645573331 567643776 /nfs/dbraw/zinc/64/37/76/567643776.db2.gz UTYHFVSRWRCWFY-SNVBAGLBSA-N -1 3 389.823 3.316 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645574009 567643889 /nfs/dbraw/zinc/64/38/89/567643889.db2.gz XHFVFAOHYZIWDC-MWLCHTKSSA-N -1 3 389.823 3.314 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000645593186 567644309 /nfs/dbraw/zinc/64/43/09/567644309.db2.gz SNPXFTDJAROXCV-AWEZNQCLSA-N -1 3 384.860 3.045 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCOCC1 ZINC000645596728 567645043 /nfs/dbraw/zinc/64/50/43/567645043.db2.gz IPMFWGVIPLNGIV-UHFFFAOYSA-N -1 3 387.807 3.334 20 0 GGADHM CC(C)C(C)(C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000572507240 567645171 /nfs/dbraw/zinc/64/51/71/567645171.db2.gz IHALJELIXKECPV-UHFFFAOYSA-N -1 3 398.244 3.297 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000480948984 567645370 /nfs/dbraw/zinc/64/53/70/567645370.db2.gz GUHKEXNMWPHQOB-OTYXRUKQSA-N -1 3 388.536 3.046 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)sc1Br ZINC000531195078 567646568 /nfs/dbraw/zinc/64/65/68/567646568.db2.gz NTVYWERRFXTDPJ-WCQGTBRESA-N -1 3 394.356 3.301 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)sc1Br ZINC000531195079 567646872 /nfs/dbraw/zinc/64/68/72/567646872.db2.gz NTVYWERRFXTDPJ-YUSALJHKSA-N -1 3 394.356 3.301 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622278964 567647086 /nfs/dbraw/zinc/64/70/86/567647086.db2.gz TVFZBAYIALSNNU-UHFFFAOYSA-N -1 3 385.222 3.478 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)ccc1OC(F)(F)F ZINC000645606339 567647101 /nfs/dbraw/zinc/64/71/01/567647101.db2.gz RFDPNSKTORPUKY-TUAOUCFPSA-N -1 3 399.818 3.475 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645612026 567647345 /nfs/dbraw/zinc/64/73/45/567647345.db2.gz RZJKETSBQNGSBB-UHFFFAOYSA-N -1 3 387.807 3.334 20 0 GGADHM CCN=c1[n-]c(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cs1 ZINC000622453500 567647711 /nfs/dbraw/zinc/64/77/11/567647711.db2.gz LIOVQCZSEVROOI-UHFFFAOYSA-N -1 3 389.308 3.286 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1nccn1-c1ccccc1 ZINC000572551449 567647837 /nfs/dbraw/zinc/64/78/37/567647837.db2.gz YANXHPGDKCAUEM-LLVKDONJSA-N -1 3 396.266 3.267 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000531254182 567649482 /nfs/dbraw/zinc/64/94/82/567649482.db2.gz UKUVCFDUKUEJKG-NSHDSACASA-N -1 3 375.222 3.146 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1cc(Br)ccc1[O-])c1cccs1 ZINC000531254033 567650036 /nfs/dbraw/zinc/65/00/36/567650036.db2.gz IXZWZYPCDWPWMQ-GFCCVEGCSA-N -1 3 383.267 3.422 20 0 GGADHM Cc1ocnc1C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645633443 567650340 /nfs/dbraw/zinc/65/03/40/567650340.db2.gz GTECILJOAQNZGD-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)N2Cc3ccccc3C2)c1Cl ZINC000480994281 567650438 /nfs/dbraw/zinc/65/04/38/567650438.db2.gz ZZTRCMGOQMKEOR-UHFFFAOYSA-N -1 3 399.299 3.123 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3cc(Br)cc(F)c3C2)on1 ZINC000553409969 567650914 /nfs/dbraw/zinc/65/09/14/567650914.db2.gz NOADXWNBVBACFS-SNVBAGLBSA-N -1 3 382.233 3.270 20 0 GGADHM O=C(CCn1ccnc1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000531275209 567651190 /nfs/dbraw/zinc/65/11/90/567651190.db2.gz DTEUUFFICALDEK-UHFFFAOYSA-N -1 3 394.660 3.140 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ccc(C)o1 ZINC000645643375 567651376 /nfs/dbraw/zinc/65/13/76/567651376.db2.gz RKYZYHGOFCXQSY-GFCCVEGCSA-N -1 3 378.372 3.058 20 0 GGADHM COC1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)CCC1 ZINC000645645154 567651521 /nfs/dbraw/zinc/65/15/21/567651521.db2.gz RBTFRUNZHLINQD-UHFFFAOYSA-N -1 3 382.707 3.091 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@H]1CCCOC1 ZINC000645645002 567651649 /nfs/dbraw/zinc/65/16/49/567651649.db2.gz RTKLFEYJZVPZBF-UWVGGRQHSA-N -1 3 387.807 3.332 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645653606 567652673 /nfs/dbraw/zinc/65/26/73/567652673.db2.gz NUHLPVUGTZRGDP-DGCLKSJQSA-N -1 3 399.818 3.475 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)c(Br)c1 ZINC000506995995 567652818 /nfs/dbraw/zinc/65/28/18/567652818.db2.gz YSBZEOFJZPQAOA-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645655542 567652894 /nfs/dbraw/zinc/65/28/94/567652894.db2.gz BMFIAGLKYIMFHQ-SNVBAGLBSA-N -1 3 399.774 3.234 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000481028079 567653202 /nfs/dbraw/zinc/65/32/02/567653202.db2.gz SKJHTMIVQKGHOL-UHFFFAOYSA-N -1 3 381.322 3.471 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cncc(Cl)c1 ZINC000507000957 567653144 /nfs/dbraw/zinc/65/31/44/567653144.db2.gz GLIDXPYSIXAPSZ-UHFFFAOYSA-N -1 3 375.233 3.351 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cc(Br)ccc1Cl ZINC000481058107 567654417 /nfs/dbraw/zinc/65/44/17/567654417.db2.gz KXSMUUYSTCHALA-NSHDSACASA-N -1 3 390.690 3.182 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CN1C1CCCCC1 ZINC000481070534 567655679 /nfs/dbraw/zinc/65/56/79/567655679.db2.gz LDQQUDAAMCRTAY-NSHDSACASA-N -1 3 391.320 3.205 20 0 GGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2Br)nc1C ZINC000553460972 567656454 /nfs/dbraw/zinc/65/64/54/567656454.db2.gz CFYMQARHTPGJCO-UHFFFAOYSA-N -1 3 397.294 3.142 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCSC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645688527 567656835 /nfs/dbraw/zinc/65/68/35/567656835.db2.gz VUJXHGZVLQQOKP-QMMMGPOBSA-N -1 3 375.821 3.270 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCCC(C)(C)F)ccc1F ZINC000666163772 567657289 /nfs/dbraw/zinc/65/72/89/567657289.db2.gz RGMQFEIIYAXCBZ-UHFFFAOYSA-N -1 3 377.457 3.162 20 0 GGADHM COc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(OC)c1OC ZINC000531394620 567657357 /nfs/dbraw/zinc/65/73/57/567657357.db2.gz IKUXVEPZUYWMFH-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCSC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645688523 567657512 /nfs/dbraw/zinc/65/75/12/567657512.db2.gz VUJXHGZVLQQOKP-MRVPVSSYSA-N -1 3 375.821 3.270 20 0 GGADHM CC[C@H](C)[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553484974 567657699 /nfs/dbraw/zinc/65/76/99/567657699.db2.gz PRVFUHMJCPNBFQ-WDEREUQCSA-N -1 3 396.340 3.006 20 0 GGADHM C[C@H](C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(Cl)s1 ZINC000531415021 567658549 /nfs/dbraw/zinc/65/85/49/567658549.db2.gz YNGARMPSXGYIEI-XYZCENFISA-N -1 3 377.853 3.198 20 0 GGADHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645711706 567658694 /nfs/dbraw/zinc/65/86/94/567658694.db2.gz WWEZUCQUOXBYRP-VXNVDRBHSA-N -1 3 375.821 3.268 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)oc1C ZINC000531428369 567658909 /nfs/dbraw/zinc/65/89/09/567658909.db2.gz JSHGTUIMEPAWJL-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM Cc1cccc2cc(S(=O)(=O)[N-][C@@H]3CC[C@](O)(C(F)(F)F)C3)sc21 ZINC000645721949 567659669 /nfs/dbraw/zinc/65/96/69/567659669.db2.gz CIUVOPFTDDVQCO-BXUZGUMPSA-N -1 3 379.425 3.334 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1cccs1 ZINC000645719909 567659856 /nfs/dbraw/zinc/65/98/56/567659856.db2.gz WKKOJMHNBHZAPN-LBPRGKRZSA-N -1 3 394.440 3.200 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)C1CC1 ZINC000645722643 567660058 /nfs/dbraw/zinc/66/00/58/567660058.db2.gz XJQGYYQEGDKSNO-AWEZNQCLSA-N -1 3 396.734 3.337 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1cccs1 ZINC000645719908 567660151 /nfs/dbraw/zinc/66/01/51/567660151.db2.gz WKKOJMHNBHZAPN-GFCCVEGCSA-N -1 3 394.440 3.200 20 0 GGADHM O=S(=O)([N-]CCNCc1csc2ccccc12)c1ccc(F)cc1F ZINC000441333940 567660976 /nfs/dbraw/zinc/66/09/76/567660976.db2.gz UIDDAHDSMOFZAU-UHFFFAOYSA-N -1 3 382.457 3.248 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(Cl)s1)c1ccc(Cl)cc1F ZINC000441324916 567661195 /nfs/dbraw/zinc/66/11/95/567661195.db2.gz BCRSVQHNIWARLB-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645739306 567661652 /nfs/dbraw/zinc/66/16/52/567661652.db2.gz YLNCKXOXMWBMBL-YGRLFVJLSA-N -1 3 396.734 3.073 20 0 GGADHM CCOc1c(Br)cc(C(=O)N=c2cc3ccccn3[n-]2)cc1OC ZINC000572743667 567661653 /nfs/dbraw/zinc/66/16/53/567661653.db2.gz INSILADPEZZWDG-UHFFFAOYSA-N -1 3 390.237 3.178 20 0 GGADHM CC(C)(C)CCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441391530 567662084 /nfs/dbraw/zinc/66/20/84/567662084.db2.gz BAERYPNVLBOTDK-UHFFFAOYSA-N -1 3 378.897 3.090 20 0 GGADHM COc1ccc(CN[C@@]2(CO)CCCc3ccccc32)c(Br)c1[O-] ZINC000441341857 567662190 /nfs/dbraw/zinc/66/21/90/567662190.db2.gz WLHDRSNYOFXSTI-LJQANCHMSA-N -1 3 392.293 3.477 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc2[nH]ccc21)c1ccc(Cl)cc1F ZINC000441386140 567662510 /nfs/dbraw/zinc/66/25/10/567662510.db2.gz TVUDGDWWTDTRGC-UHFFFAOYSA-N -1 3 381.860 3.029 20 0 GGADHM CC(C)CN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000553535957 567662863 /nfs/dbraw/zinc/66/28/63/567662863.db2.gz AGVSGTQDFBELER-GFCCVEGCSA-N -1 3 380.888 3.265 20 0 GGADHM CC(C)(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCC1 ZINC000441404828 567662908 /nfs/dbraw/zinc/66/29/08/567662908.db2.gz OGQKSBSFNMLJHT-UHFFFAOYSA-N -1 3 390.908 3.090 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCCCCc2ccccc21 ZINC000531497625 567663367 /nfs/dbraw/zinc/66/33/67/567663367.db2.gz XJRZDJJTXWUGLA-UHFFFAOYSA-N -1 3 378.519 3.176 20 0 GGADHM COC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC)c1ccc(Cl)cc1 ZINC000645745641 567663436 /nfs/dbraw/zinc/66/34/36/567663436.db2.gz FLCOAAMIJDCGCV-ZDUSSCGKSA-N -1 3 387.860 3.196 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)c(F)cc1F ZINC000481223469 567663487 /nfs/dbraw/zinc/66/34/87/567663487.db2.gz RZEVMOKDKQQIBD-SECBINFHSA-N -1 3 391.237 3.470 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C)C1 ZINC000481220183 567663663 /nfs/dbraw/zinc/66/36/63/567663663.db2.gz IYPXQSCMDPKICB-RDBSUJKOSA-N -1 3 375.918 3.468 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000553542863 567664148 /nfs/dbraw/zinc/66/41/48/567664148.db2.gz NMGWRDJLLFUUBG-VIFPVBQESA-N -1 3 389.260 3.215 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000645751062 567664203 /nfs/dbraw/zinc/66/42/03/567664203.db2.gz NHTKJIXVEFBPLV-MRXNPFEDSA-N -1 3 385.482 3.078 20 0 GGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CC1 ZINC000645751167 567664508 /nfs/dbraw/zinc/66/45/08/567664508.db2.gz UWRJSBIIDOAQQP-AMIZOPFISA-N -1 3 387.807 3.330 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000531532760 567664433 /nfs/dbraw/zinc/66/44/33/567664433.db2.gz MTJLWGBKNMGGPX-AWEZNQCLSA-N -1 3 379.400 3.106 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H](C)O1 ZINC000645760990 567664617 /nfs/dbraw/zinc/66/46/17/567664617.db2.gz SDSKXVVCOSOZTN-KXUCPTDWSA-N -1 3 387.807 3.330 20 0 GGADHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000481233454 567664747 /nfs/dbraw/zinc/66/47/47/567664747.db2.gz LENYBJAJCLJEAF-UONOGXRCSA-N -1 3 386.583 3.167 20 0 GGADHM COc1cccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1C ZINC000622887379 567665225 /nfs/dbraw/zinc/66/52/25/567665225.db2.gz UIALKKDRWMCHIB-UHFFFAOYSA-N -1 3 392.175 3.199 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Br)cn1 ZINC000481251439 567665530 /nfs/dbraw/zinc/66/55/30/567665530.db2.gz MGYVLPCYLUFYQR-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Br)cn1 ZINC000481248922 567665970 /nfs/dbraw/zinc/66/59/70/567665970.db2.gz FBDDSXOOMKAQIC-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC2(C)C)c(Br)c1 ZINC000553560859 567666151 /nfs/dbraw/zinc/66/61/51/567666151.db2.gz YITDQGVBVRYRQZ-ZDUSSCGKSA-N -1 3 390.299 3.093 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000572812049 567666746 /nfs/dbraw/zinc/66/67/46/567666746.db2.gz QJGRGFHXLJEGOQ-RUXDESIVSA-N -1 3 385.448 3.149 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000481265714 567666812 /nfs/dbraw/zinc/66/68/12/567666812.db2.gz WLEXJRFTZQCDPA-DOMZBBRYSA-N -1 3 383.466 3.288 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000553569677 567667342 /nfs/dbraw/zinc/66/73/42/567667342.db2.gz MNFDBKSJJIKWND-CYBMUJFWSA-N -1 3 393.958 3.177 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1ccccc1C(F)(F)F ZINC000553571362 567668896 /nfs/dbraw/zinc/66/88/96/567668896.db2.gz IVXZYFAYNYRWJM-LLVKDONJSA-N -1 3 393.814 3.413 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000441547196 567668847 /nfs/dbraw/zinc/66/88/47/567668847.db2.gz ZNVBBKYBWSGYDO-UHFFFAOYSA-N -1 3 394.802 3.283 20 0 GGADHM COC(=O)[C@H](C)CN(C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000596991428 567668962 /nfs/dbraw/zinc/66/89/62/567668962.db2.gz LWUZVWYATNUODV-MRVPVSSYSA-N -1 3 395.091 3.158 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000507252814 567671362 /nfs/dbraw/zinc/67/13/62/567671362.db2.gz OLDGJFJIRWPDBH-UHFFFAOYSA-N -1 3 392.110 3.459 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000507252814 567671367 /nfs/dbraw/zinc/67/13/67/567671367.db2.gz OLDGJFJIRWPDBH-UHFFFAOYSA-N -1 3 392.110 3.459 20 0 GGADHM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000481321015 567671506 /nfs/dbraw/zinc/67/15/06/567671506.db2.gz JETOHBNYQRVUCE-UHFFFAOYSA-N -1 3 378.841 3.149 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(C)cc2)s1 ZINC000645811616 567671637 /nfs/dbraw/zinc/67/16/37/567671637.db2.gz VMKRIOBFHIYZIR-VBNZEHGJSA-N -1 3 378.519 3.088 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000507272318 567672971 /nfs/dbraw/zinc/67/29/71/567672971.db2.gz LAWOLQQVAPEUQJ-VXGBXAGGSA-N -1 3 378.460 3.139 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCCC2)s1 ZINC000645844743 567674357 /nfs/dbraw/zinc/67/43/57/567674357.db2.gz LZRNHNCTCMZDFT-SFHVURJKSA-N -1 3 384.567 3.412 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@H](CCO)c1ccccc1F ZINC000645843736 567674457 /nfs/dbraw/zinc/67/44/57/567674457.db2.gz CVGGDWCNXDEKTM-MRXNPFEDSA-N -1 3 375.824 3.161 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(Cl)cc1OC(F)F ZINC000481370917 567674638 /nfs/dbraw/zinc/67/46/38/567674638.db2.gz OCWMLTTUULMSAS-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(Cl)cc1OC(F)F ZINC000481370917 567674640 /nfs/dbraw/zinc/67/46/40/567674640.db2.gz OCWMLTTUULMSAS-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)cc1OC(F)F ZINC000481370917 567674646 /nfs/dbraw/zinc/67/46/46/567674646.db2.gz OCWMLTTUULMSAS-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000553679060 567675009 /nfs/dbraw/zinc/67/50/09/567675009.db2.gz SKEGFGCCURGZEF-FMKPAKJESA-N -1 3 378.519 3.025 20 0 GGADHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000507326885 567675073 /nfs/dbraw/zinc/67/50/73/567675073.db2.gz ADSXQMBXRWGEDN-NSHDSACASA-N -1 3 395.388 3.299 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000553679062 567675484 /nfs/dbraw/zinc/67/54/84/567675484.db2.gz SKEGFGCCURGZEF-IJEWVQPXSA-N -1 3 378.519 3.025 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1ccc(C)s1 ZINC000441864379 567677155 /nfs/dbraw/zinc/67/71/55/567677155.db2.gz IKRUAPXFQMWPHX-GFCCVEGCSA-N -1 3 378.475 3.207 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000481450998 567677534 /nfs/dbraw/zinc/67/75/34/567677534.db2.gz JXHVSDKDBGPWDT-BZNIZROVSA-N -1 3 385.844 3.308 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C1CC(F)(F)C1 ZINC000441898998 567677558 /nfs/dbraw/zinc/67/75/58/567677558.db2.gz PXLGKNDZGIBZMR-UHFFFAOYSA-N -1 3 375.148 3.357 20 0 GGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000481450995 567678310 /nfs/dbraw/zinc/67/83/10/567678310.db2.gz JXHVSDKDBGPWDT-BDJLRTHQSA-N -1 3 385.844 3.308 20 0 GGADHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645879153 567678620 /nfs/dbraw/zinc/67/86/20/567678620.db2.gz BETVZDFUJDXNBG-CBAPKCEASA-N -1 3 375.821 3.411 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000507442223 567678935 /nfs/dbraw/zinc/67/89/35/567678935.db2.gz NQJBPJWPZCWWQR-ZDUSSCGKSA-N -1 3 378.837 3.100 20 0 GGADHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000507436646 567679340 /nfs/dbraw/zinc/67/93/40/567679340.db2.gz PSINRTVIKBMVDG-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000645896262 567679547 /nfs/dbraw/zinc/67/95/47/567679547.db2.gz XCMGMZKVIQBWAR-ADEWGFFLSA-N -1 3 398.472 3.345 20 0 GGADHM CC(C)C(=O)Nc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000481455614 567679424 /nfs/dbraw/zinc/67/94/24/567679424.db2.gz RPEMVORPMWYWFL-UHFFFAOYSA-N -1 3 392.253 3.074 20 0 GGADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)OCO2 ZINC000481458550 567679742 /nfs/dbraw/zinc/67/97/42/567679742.db2.gz ZMZZWSKVZWGGFQ-JTQLQIEISA-N -1 3 378.222 3.303 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000645896263 567679795 /nfs/dbraw/zinc/67/97/95/567679795.db2.gz XCMGMZKVIQBWAR-ZMLRMANQSA-N -1 3 398.472 3.345 20 0 GGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000481455331 567679829 /nfs/dbraw/zinc/67/98/29/567679829.db2.gz SRTVZIYDXXNXDK-BDJLRTHQSA-N -1 3 385.844 3.308 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000481455332 567679957 /nfs/dbraw/zinc/67/99/57/567679957.db2.gz SRTVZIYDXXNXDK-BZNIZROVSA-N -1 3 385.844 3.308 20 0 GGADHM NC(=O)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1Cl ZINC000481481461 567680290 /nfs/dbraw/zinc/68/02/90/567680290.db2.gz UZOMMWVIBKWNLX-UHFFFAOYSA-N -1 3 398.644 3.229 20 0 GGADHM CC[C@H]1CC[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000531802653 567680849 /nfs/dbraw/zinc/68/08/49/567680849.db2.gz RALNTHQIFKWYBV-JSGCOSHPSA-N -1 3 382.233 3.296 20 0 GGADHM O=S(=O)(CCc1cccs1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481482040 567680910 /nfs/dbraw/zinc/68/09/10/567680910.db2.gz WBUMXWDKDDAPCB-CYBMUJFWSA-N -1 3 380.318 3.250 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C(C)(C)C)s1 ZINC000553767990 567681416 /nfs/dbraw/zinc/68/14/16/567681416.db2.gz NFBYKEOSGQKBRD-AWEZNQCLSA-N -1 3 385.486 3.306 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000553767061 567681447 /nfs/dbraw/zinc/68/14/47/567681447.db2.gz BDHVRNMCVSREQC-IAGOWNOFSA-N -1 3 396.306 3.399 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1cncc(Cl)c1 ZINC000481487497 567682149 /nfs/dbraw/zinc/68/21/49/567682149.db2.gz BIOGVUOMQMTSIS-LBPRGKRZSA-N -1 3 381.668 3.054 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2c1cccc2F)c1ccc(Cl)cc1F ZINC000442096334 567682117 /nfs/dbraw/zinc/68/21/17/567682117.db2.gz VBNLLQXOQFIOKD-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2ccc(Cl)cc21)c1ccc(F)cc1F ZINC000442091466 567682516 /nfs/dbraw/zinc/68/25/16/567682516.db2.gz OEWXIEDXEWDVKH-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481497326 567682641 /nfs/dbraw/zinc/68/26/41/567682641.db2.gz WJOZUQFRLIIXLY-AWEZNQCLSA-N -1 3 378.252 3.286 20 0 GGADHM CN(Cc1ccc(O)cc1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531855233 567682943 /nfs/dbraw/zinc/68/29/43/567682943.db2.gz LBVCVLBZCFSNSZ-UHFFFAOYSA-N -1 3 387.233 3.268 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c1 ZINC000507502175 567683340 /nfs/dbraw/zinc/68/33/40/567683340.db2.gz RBLFTRACFVPXHK-AWEZNQCLSA-N -1 3 394.499 3.059 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481503810 567683475 /nfs/dbraw/zinc/68/34/75/567683475.db2.gz AHVIATHBDGQYAT-ZDUSSCGKSA-N -1 3 378.252 3.453 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481502626 567683679 /nfs/dbraw/zinc/68/36/79/567683679.db2.gz PXFXWYQWVHOFBH-JTQLQIEISA-N -1 3 382.290 3.075 20 0 GGADHM O=S(=O)([N-]CCc1cccc(OCC(F)(F)F)c1)c1cncc(Cl)c1 ZINC000481502196 567683873 /nfs/dbraw/zinc/68/38/73/567683873.db2.gz YAAGMDRXVPZOPU-UHFFFAOYSA-N -1 3 394.802 3.197 20 0 GGADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000442221943 567685762 /nfs/dbraw/zinc/68/57/62/567685762.db2.gz JBGQVXWAZBULNB-UHFFFAOYSA-N -1 3 383.809 3.046 20 0 GGADHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)ccc21 ZINC000442233339 567686105 /nfs/dbraw/zinc/68/61/05/567686105.db2.gz LVESCXBBRSQVRF-UHFFFAOYSA-N -1 3 388.779 3.347 20 0 GGADHM Cc1cccc2c1OC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000460362051 567686476 /nfs/dbraw/zinc/68/64/76/567686476.db2.gz LYYQGUOFOTWMEV-CQSZACIVSA-N -1 3 391.265 3.266 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000481567018 567687805 /nfs/dbraw/zinc/68/78/05/567687805.db2.gz CBFRTWZUOQENKU-VXGBXAGGSA-N -1 3 383.466 3.288 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000481567002 567688380 /nfs/dbraw/zinc/68/83/80/567688380.db2.gz CBFRTWZUOQENKU-NEPJUHHUSA-N -1 3 383.466 3.288 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)c1 ZINC000573102364 567688452 /nfs/dbraw/zinc/68/84/52/567688452.db2.gz KVRQGMRLNAWXAK-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM C[C@H](NC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1=CCN(C)CC1 ZINC000481561101 567688534 /nfs/dbraw/zinc/68/85/34/567688534.db2.gz XBKDGUXYCKWGAO-NSHDSACASA-N -1 3 377.901 3.052 20 0 GGADHM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000442315759 567690647 /nfs/dbraw/zinc/69/06/47/567690647.db2.gz QYABFOUCXQWEKQ-UHFFFAOYSA-N -1 3 389.658 3.002 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000573131886 567690896 /nfs/dbraw/zinc/69/08/96/567690896.db2.gz ONMSDUBWAXEXAG-BJOHPYRUSA-N -1 3 386.242 3.389 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)[C@@H]1OC ZINC000460496313 567690830 /nfs/dbraw/zinc/69/08/30/567690830.db2.gz YJMDLCQPQJMOHF-ZOWXZIJZSA-N -1 3 375.899 3.025 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)[C@H]1OC ZINC000460496312 567691062 /nfs/dbraw/zinc/69/10/62/567691062.db2.gz YJMDLCQPQJMOHF-YWPYICTPSA-N -1 3 375.899 3.025 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000481613646 567691555 /nfs/dbraw/zinc/69/15/55/567691555.db2.gz OZNOCOLYJRNVRD-YPMHNXCESA-N -1 3 383.466 3.288 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1Cl ZINC000507636475 567691613 /nfs/dbraw/zinc/69/16/13/567691613.db2.gz ORIDPZJNFBNWEN-UHFFFAOYSA-N -1 3 385.869 3.219 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000481612461 567691857 /nfs/dbraw/zinc/69/18/57/567691857.db2.gz UNHPJHHUUJVZMS-NEPJUHHUSA-N -1 3 383.466 3.288 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1nccs1 ZINC000553857021 567692412 /nfs/dbraw/zinc/69/24/12/567692412.db2.gz NEPCAJGLCYFAEL-QMMMGPOBSA-N -1 3 384.376 3.263 20 0 GGADHM Cc1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc(C)c1Cl ZINC000442437337 567693237 /nfs/dbraw/zinc/69/32/37/567693237.db2.gz SMQSUYKDVGPWSK-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)cc1Cl ZINC000553883479 567694289 /nfs/dbraw/zinc/69/42/89/567694289.db2.gz OQSZINZOJVPBKP-YUMQZZPRSA-N -1 3 386.670 3.280 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553872584 567695155 /nfs/dbraw/zinc/69/51/55/567695155.db2.gz YSYDYIYFRCNZCV-CYBMUJFWSA-N -1 3 387.395 3.046 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1Br)c1c(F)cncc1F ZINC000553892741 567695558 /nfs/dbraw/zinc/69/55/58/567695558.db2.gz BQVZZWFHFKVIQJ-VIFPVBQESA-N -1 3 391.237 3.303 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2nc3cnccc3s2)nc1C(C)(C)C ZINC000597335055 567695838 /nfs/dbraw/zinc/69/58/38/567695838.db2.gz DRRXGIDIKJQLTA-UHFFFAOYSA-N -1 3 376.463 3.484 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1Br)c1c(F)cncc1F ZINC000553892740 567696311 /nfs/dbraw/zinc/69/63/11/567696311.db2.gz BQVZZWFHFKVIQJ-SECBINFHSA-N -1 3 391.237 3.303 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2ncnc3ccsc32)nc1C(C)(C)C ZINC000597334999 567696389 /nfs/dbraw/zinc/69/63/89/567696389.db2.gz CXYUHYYBEDKQDZ-UHFFFAOYSA-N -1 3 376.463 3.484 20 0 GGADHM COCCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000507691822 567697344 /nfs/dbraw/zinc/69/73/44/567697344.db2.gz FPLKVQQZAKDLHI-UHFFFAOYSA-N -1 3 378.475 3.015 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000553905468 567697768 /nfs/dbraw/zinc/69/77/68/567697768.db2.gz PPZRWNJKESIRGT-OLZOCXBDSA-N -1 3 393.958 3.175 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1 ZINC000532107915 567697843 /nfs/dbraw/zinc/69/78/43/567697843.db2.gz MNKZYRCLNHSQJR-LLVKDONJSA-N -1 3 396.818 3.310 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCSc3ccccc32)ccc1F ZINC000460681713 567698780 /nfs/dbraw/zinc/69/87/80/567698780.db2.gz XVOBIETXFJODDY-CYBMUJFWSA-N -1 3 380.466 3.415 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000553907506 567699080 /nfs/dbraw/zinc/69/90/80/567699080.db2.gz AWKZJEAKRIBYAE-WDEREUQCSA-N -1 3 385.835 3.436 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(Br)cs1 ZINC000646199607 567699894 /nfs/dbraw/zinc/69/98/94/567699894.db2.gz WMLKTPXLJGZRBC-BDAKNGLRSA-N -1 3 398.282 3.004 20 0 GGADHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)CCSCC ZINC000442661014 567700342 /nfs/dbraw/zinc/70/03/42/567700342.db2.gz BOGPBYKJNAHKQE-LBPRGKRZSA-N -1 3 386.539 3.162 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2ccccc2C)cc1OC ZINC000460761046 567700952 /nfs/dbraw/zinc/70/09/52/567700952.db2.gz VMQICICUNPMXKL-UHFFFAOYSA-N -1 3 383.853 3.386 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)CO2 ZINC000532167506 567701882 /nfs/dbraw/zinc/70/18/82/567701882.db2.gz KBXBXZSCAQVESO-CQSZACIVSA-N -1 3 386.242 3.309 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)CCCCC1 ZINC000442736520 567702472 /nfs/dbraw/zinc/70/24/72/567702472.db2.gz CVODQFBVQZDMFB-UHFFFAOYSA-N -1 3 389.539 3.108 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1ccc(Br)s1 ZINC000442727348 567702559 /nfs/dbraw/zinc/70/25/59/567702559.db2.gz BAQQSYHJNCLZGD-ZCFIWIBFSA-N -1 3 396.719 3.181 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C(F)(F)F)cc2)nc1C ZINC000442726464 567702812 /nfs/dbraw/zinc/70/28/12/567702812.db2.gz COMGKZHGFIDIDO-NSHDSACASA-N -1 3 375.416 3.312 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)Cc1cc(C)cc(C)c1 ZINC000442744350 567704206 /nfs/dbraw/zinc/70/42/06/567704206.db2.gz MGXFFDPLNXFQNB-CQSZACIVSA-N -1 3 381.519 3.369 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cc(F)ccc1SC ZINC000442753732 567705111 /nfs/dbraw/zinc/70/51/11/567705111.db2.gz GWWPWCRNQMKCLK-UHFFFAOYSA-N -1 3 389.495 3.183 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)Cc1ccccc1 ZINC000442749128 567705120 /nfs/dbraw/zinc/70/51/20/567705120.db2.gz GRAAPLPYHJZLRH-UHFFFAOYSA-N -1 3 381.519 3.390 20 0 GGADHM O=S(=O)(Cc1cccc(Br)c1)[N-][C@@H]1COc2ccc(F)cc21 ZINC000573332554 567706246 /nfs/dbraw/zinc/70/62/46/567706246.db2.gz HZWOLEJRCWEMBB-CQSZACIVSA-N -1 3 386.242 3.141 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000442764064 567706443 /nfs/dbraw/zinc/70/64/43/567706443.db2.gz DYQFFTYDMRAEQZ-CQSZACIVSA-N -1 3 397.543 3.152 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)cc1C ZINC000442758769 567706650 /nfs/dbraw/zinc/70/66/50/567706650.db2.gz JLOUYXWPPCUOOI-AWEZNQCLSA-N -1 3 381.519 3.369 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccccc1F ZINC000442768993 567708005 /nfs/dbraw/zinc/70/80/05/567708005.db2.gz KZSHAWDCGSRYHV-UHFFFAOYSA-N -1 3 385.482 3.238 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)c1cccc(F)c1 ZINC000442772535 567708111 /nfs/dbraw/zinc/70/81/11/567708111.db2.gz RXBPDVRCRDXVDJ-UHFFFAOYSA-N -1 3 385.482 3.238 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H](C)Sc1ccccc1 ZINC000442770713 567708664 /nfs/dbraw/zinc/70/86/64/567708664.db2.gz QIOPSIPDBDJYMC-GFCCVEGCSA-N -1 3 385.532 3.302 20 0 GGADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)CCO1 ZINC000442771497 567708685 /nfs/dbraw/zinc/70/86/85/567708685.db2.gz SECWNCNWQRNXKE-UONOGXRCSA-N -1 3 389.539 3.105 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1cnccc1C(F)(F)F ZINC000442806109 567709643 /nfs/dbraw/zinc/70/96/43/567709643.db2.gz BMUVGGGAANDGLC-UHFFFAOYSA-N -1 3 382.310 3.180 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)C1CCOCC1)c1cc2cc(Cl)ccc2s1 ZINC000460922857 567710424 /nfs/dbraw/zinc/71/04/24/567710424.db2.gz KJGYHPJREOQNEA-AWEZNQCLSA-N -1 3 389.926 3.011 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000460920789 567710474 /nfs/dbraw/zinc/71/04/74/567710474.db2.gz FWDJANMCBOJNQK-IUODEOHRSA-N -1 3 390.889 3.307 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000460930368 567710511 /nfs/dbraw/zinc/71/05/11/567710511.db2.gz HTSMWKSLPAFWTP-UHFFFAOYSA-N -1 3 380.413 3.125 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000460939744 567710610 /nfs/dbraw/zinc/71/06/10/567710610.db2.gz XRYKVIUPLBYAIA-JTQLQIEISA-N -1 3 389.905 3.055 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000460927445 567710624 /nfs/dbraw/zinc/71/06/24/567710624.db2.gz NFQRLCPMLNGEOD-KRWDZBQOSA-N -1 3 377.466 3.308 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCc2ccc(Br)s2)s1 ZINC000460936868 567710809 /nfs/dbraw/zinc/71/08/09/567710809.db2.gz ZSLUDXFABBDPIY-UHFFFAOYSA-N -1 3 381.342 3.051 20 0 GGADHM Cc1cccc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c1[O-] ZINC000646344290 567711129 /nfs/dbraw/zinc/71/11/29/567711129.db2.gz YMAJITSSNZRECX-CYBMUJFWSA-N -1 3 377.238 3.152 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000460927446 567711052 /nfs/dbraw/zinc/71/10/52/567711052.db2.gz NFQRLCPMLNGEOD-QGZVFWFLSA-N -1 3 377.466 3.308 20 0 GGADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cnc(CC)s2)cc1OCC ZINC000460934919 567711208 /nfs/dbraw/zinc/71/12/08/567711208.db2.gz BVQGWSCHMOSJBH-UHFFFAOYSA-N -1 3 384.523 3.024 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442839466 567711468 /nfs/dbraw/zinc/71/14/68/567711468.db2.gz WNBXAJLFRDNJRF-UHFFFAOYSA-N -1 3 398.616 3.159 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCCOc2cccc3cccnc32)s1 ZINC000460952207 567711990 /nfs/dbraw/zinc/71/19/90/567711990.db2.gz BFPBNMZUJMNLRK-UHFFFAOYSA-N -1 3 377.491 3.001 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)s1 ZINC000460946951 567712004 /nfs/dbraw/zinc/71/20/04/567712004.db2.gz PPUMZPLCWMVYJD-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000460951265 567712120 /nfs/dbraw/zinc/71/21/20/567712120.db2.gz JRBVDGVBEMKOLT-QGZVFWFLSA-N -1 3 382.507 3.152 20 0 GGADHM CC(C)c1nc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cs1 ZINC000442854379 567712115 /nfs/dbraw/zinc/71/21/15/567712115.db2.gz AKRBWJVQRRZHMG-LLVKDONJSA-N -1 3 389.493 3.174 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000460961214 567713023 /nfs/dbraw/zinc/71/30/23/567713023.db2.gz SKRSTAPZAVQHET-UHFFFAOYSA-N -1 3 387.914 3.056 20 0 GGADHM COc1ccccc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442863996 567713069 /nfs/dbraw/zinc/71/30/69/567713069.db2.gz BIMPMALMMIKUGS-GFCCVEGCSA-N -1 3 386.876 3.117 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(SC)ccc1C)c1ccccc1 ZINC000507891540 567713381 /nfs/dbraw/zinc/71/33/81/567713381.db2.gz IPEXPDHAQGMIQW-MRXNPFEDSA-N -1 3 379.503 3.415 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c2ccccc2)s1 ZINC000460961864 567713506 /nfs/dbraw/zinc/71/35/06/567713506.db2.gz WJOYZELITORDRB-AWEZNQCLSA-N -1 3 382.507 3.067 20 0 GGADHM Cc1ccsc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442866909 567713999 /nfs/dbraw/zinc/71/39/99/567713999.db2.gz JMZBSHWUJUFINZ-NSHDSACASA-N -1 3 376.906 3.478 20 0 GGADHM CSc1ccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000442879488 567714316 /nfs/dbraw/zinc/71/43/16/567714316.db2.gz WBKRRANPPQTRMR-LBPRGKRZSA-N -1 3 386.489 3.316 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1F ZINC000442866770 567714425 /nfs/dbraw/zinc/71/44/25/567714425.db2.gz XAOACYJCLZYGCF-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1Cl ZINC000442875533 567714820 /nfs/dbraw/zinc/71/48/20/567714820.db2.gz WIBLEZIUCMPFFU-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(SC)c1C)c1ccccc1 ZINC000507902334 567714973 /nfs/dbraw/zinc/71/49/73/567714973.db2.gz MTJAVDJNPKCZKS-OAHLLOKOSA-N -1 3 379.503 3.415 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2ocnc2C2CC2)nc1C(F)(F)F ZINC000573449359 567715397 /nfs/dbraw/zinc/71/53/97/567715397.db2.gz QYSFGRIVGKQLDP-UHFFFAOYSA-N -1 3 375.328 3.456 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)c3cc(Br)ccc3[n-]1)CO2 ZINC000532424034 567715564 /nfs/dbraw/zinc/71/55/64/567715564.db2.gz JIICFXYMGTXVSU-INIZCTEOSA-N -1 3 399.244 3.463 20 0 GGADHM CC(C)c1nnc([N-]C(=O)c2cc(Br)cc3c2OCCO3)s1 ZINC000666971369 567715968 /nfs/dbraw/zinc/71/59/68/567715968.db2.gz WNYCKQAPRXPRDU-UHFFFAOYSA-N -1 3 384.255 3.448 20 0 GGADHM CC1([N-]S(=O)(=O)c2ccc(F)cc2Br)Cc2ccccc2C1 ZINC000507923937 567716343 /nfs/dbraw/zinc/71/63/43/567716343.db2.gz ZMDWLISHFGAAJU-UHFFFAOYSA-N -1 3 384.270 3.424 20 0 GGADHM COc1cccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000442888753 567716410 /nfs/dbraw/zinc/71/64/10/567716410.db2.gz HOPXSHSNDXDNCJ-LBPRGKRZSA-N -1 3 386.876 3.117 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc3c(c(Cl)c2)OCO3)c1 ZINC000461032342 567716982 /nfs/dbraw/zinc/71/69/82/567716982.db2.gz DWIABGXYTXYBCC-UHFFFAOYSA-N -1 3 382.825 3.001 20 0 GGADHM C[C@@H](CF)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000646423965 567717025 /nfs/dbraw/zinc/71/70/25/567717025.db2.gz HDLVNEYFDPEWRF-JTQLQIEISA-N -1 3 388.823 3.368 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCSCc1ccc(C)cc1 ZINC000442907467 567717124 /nfs/dbraw/zinc/71/71/24/567717124.db2.gz JYOVJRGBLLYFIA-UHFFFAOYSA-N -1 3 399.559 3.363 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccccc1OC(C)C ZINC000442920919 567717166 /nfs/dbraw/zinc/71/71/66/567717166.db2.gz PRSQOPAIHLMUAJ-UHFFFAOYSA-N -1 3 383.491 3.109 20 0 GGADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000442918821 567717698 /nfs/dbraw/zinc/71/76/98/567717698.db2.gz KOLRUKQLAQRTJR-LBPRGKRZSA-N -1 3 383.886 3.011 20 0 GGADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000442918821 567717702 /nfs/dbraw/zinc/71/77/02/567717702.db2.gz KOLRUKQLAQRTJR-LBPRGKRZSA-N -1 3 383.886 3.011 20 0 GGADHM Cn1cc(Br)cc([N-]S(=O)(=O)c2csc3ccccc32)c1=O ZINC000507950194 567718503 /nfs/dbraw/zinc/71/85/03/567718503.db2.gz KOPZNBFNVAZWIM-UHFFFAOYSA-N -1 3 399.291 3.163 20 0 GGADHM COc1cc(C(=O)NCc2cc(Br)c(OC)c(OC)c2)ccc1[O-] ZINC000442943871 567719154 /nfs/dbraw/zinc/71/91/54/567719154.db2.gz LEPPTLPVQOBYFB-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C(C)(C)C ZINC000573519926 567719447 /nfs/dbraw/zinc/71/94/47/567719447.db2.gz GWWGQJNVYADVJE-HNNXBMFYSA-N -1 3 376.906 3.410 20 0 GGADHM CN(C)c1nc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc(=O)[n-]1 ZINC000461099607 567719963 /nfs/dbraw/zinc/71/99/63/567719963.db2.gz FREXKDLFWOFGGP-UHFFFAOYSA-N -1 3 375.841 3.277 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000573536921 567720455 /nfs/dbraw/zinc/72/04/55/567720455.db2.gz DQSUSKNZVRCFAL-CYBMUJFWSA-N -1 3 381.416 3.245 20 0 GGADHM COc1cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)ccc1[O-] ZINC000442952263 567720379 /nfs/dbraw/zinc/72/03/79/567720379.db2.gz QZDIKLCQQQVJJT-KRWDZBQOSA-N -1 3 392.249 3.377 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]c3c(F)c(F)cc(F)c3F)cnc2c1Cl ZINC000461108881 567720817 /nfs/dbraw/zinc/72/08/17/567720817.db2.gz BBTKPCYYSDBRFS-UHFFFAOYSA-N -1 3 394.737 3.048 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000461113994 567720974 /nfs/dbraw/zinc/72/09/74/567720974.db2.gz QTIGFMWTIAXUFE-UHFFFAOYSA-N -1 3 379.331 3.069 20 0 GGADHM CSc1cccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000442987039 567721296 /nfs/dbraw/zinc/72/12/96/567721296.db2.gz JAQNNDMXIWLRIP-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM CSc1cccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000442987039 567721301 /nfs/dbraw/zinc/72/13/01/567721301.db2.gz JAQNNDMXIWLRIP-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000461114961 567721384 /nfs/dbraw/zinc/72/13/84/567721384.db2.gz VHKQPLJROZZSQE-QFIPXVFZSA-N -1 3 375.874 3.467 20 0 GGADHM O=S(=O)(Cc1nc(-c2c(F)cccc2F)cs1)c1nc2c([n-]1)CCC2 ZINC000573553600 567721782 /nfs/dbraw/zinc/72/17/82/567721782.db2.gz AJHNCNXBWYJXNB-UHFFFAOYSA-N -1 3 381.429 3.274 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cc1 ZINC000573551214 567721834 /nfs/dbraw/zinc/72/18/34/567721834.db2.gz AEWNVODWHDIHIO-UHFFFAOYSA-N -1 3 395.836 3.482 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)s1 ZINC000573560699 567721939 /nfs/dbraw/zinc/72/19/39/567721939.db2.gz MGMXMMCCJIYIPT-KGLIPLIRSA-N -1 3 390.546 3.012 20 0 GGADHM Cc1[nH]nc2ncc([N-]S(=O)(=O)CCc3ccccc3Br)cc12 ZINC000461116119 567722585 /nfs/dbraw/zinc/72/25/85/567722585.db2.gz VWDYHBJMXNSDNR-UHFFFAOYSA-N -1 3 395.282 3.013 20 0 GGADHM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000508016057 567722701 /nfs/dbraw/zinc/72/27/01/567722701.db2.gz LRCLNUUSUIDAEN-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461127269 567722991 /nfs/dbraw/zinc/72/29/91/567722991.db2.gz QKURLFDUGMVDIB-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)c1ccc(Cl)cc1 ZINC000443009451 567723375 /nfs/dbraw/zinc/72/33/75/567723375.db2.gz JYFUGOCLYGWULJ-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)cn1 ZINC000461165348 567723779 /nfs/dbraw/zinc/72/37/79/567723779.db2.gz YHUQJMIMBJWYTH-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM CCOc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443020143 567724051 /nfs/dbraw/zinc/72/40/51/567724051.db2.gz GQIRXHGXLXNMNN-UHFFFAOYSA-N -1 3 383.853 3.004 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)c1ccc(F)cc1 ZINC000443014971 567724218 /nfs/dbraw/zinc/72/42/18/567724218.db2.gz DXWVMZUYCIFYCJ-NSHDSACASA-N -1 3 385.844 3.348 20 0 GGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc2c(c1)COC2 ZINC000508066290 567724206 /nfs/dbraw/zinc/72/42/06/567724206.db2.gz AWQXXCJWILLZQI-UHFFFAOYSA-N -1 3 389.658 3.329 20 0 GGADHM CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443023643 567724420 /nfs/dbraw/zinc/72/44/20/567724420.db2.gz MEPWYEMWDOVUAA-LBPRGKRZSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443023643 567724425 /nfs/dbraw/zinc/72/44/25/567724425.db2.gz MEPWYEMWDOVUAA-LBPRGKRZSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(OC)c1 ZINC000443015507 567724789 /nfs/dbraw/zinc/72/47/89/567724789.db2.gz SIAVTRITOZDNGZ-LLVKDONJSA-N -1 3 383.853 3.175 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000573601204 567724967 /nfs/dbraw/zinc/72/49/67/567724967.db2.gz GVRBJSUYWPCFMT-QWHCGFSZSA-N -1 3 381.416 3.241 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1F ZINC000508073067 567725165 /nfs/dbraw/zinc/72/51/65/567725165.db2.gz IQIIUFKKLGJGSQ-UHFFFAOYSA-N -1 3 395.637 3.446 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCC1 ZINC000443039376 567725405 /nfs/dbraw/zinc/72/54/05/567725405.db2.gz SEFCQRUKVGBRPY-UHFFFAOYSA-N -1 3 383.466 3.074 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000443035667 567725756 /nfs/dbraw/zinc/72/57/56/567725756.db2.gz UZXJTVHSHHOEEY-UHFFFAOYSA-N -1 3 378.837 3.086 20 0 GGADHM CC(C)Cc1nc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)cs1 ZINC000461234883 567725813 /nfs/dbraw/zinc/72/58/13/567725813.db2.gz DSMBOVUGQIKJMC-UHFFFAOYSA-N -1 3 375.885 3.465 20 0 GGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc2c(c1)CCO2 ZINC000508075014 567726648 /nfs/dbraw/zinc/72/66/48/567726648.db2.gz VLKLXLAWDVLSHS-UHFFFAOYSA-N -1 3 389.658 3.233 20 0 GGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cncc(Cl)c2)c(Cl)c1 ZINC000508074518 567726795 /nfs/dbraw/zinc/72/67/95/567726795.db2.gz QRCAEMCELIQIFM-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@]1(C)CCCc2ccccc21 ZINC000508074192 567726861 /nfs/dbraw/zinc/72/68/61/567726861.db2.gz NYPMDZUPTQEBAM-GOSISDBHSA-N -1 3 379.503 3.373 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H](c2ccccc2)C1 ZINC000554415250 567727158 /nfs/dbraw/zinc/72/71/58/567727158.db2.gz OUBIRMVLJNOGRL-CQSZACIVSA-N -1 3 398.937 3.086 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000508086608 567727352 /nfs/dbraw/zinc/72/73/52/567727352.db2.gz SRVQOHQSRNUIQQ-UHFFFAOYSA-N -1 3 389.807 3.197 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1CCC1CCCCC1 ZINC000532673451 567728059 /nfs/dbraw/zinc/72/80/59/567728059.db2.gz IYLZIDQTXOXZEV-INIZCTEOSA-N -1 3 384.567 3.378 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCOc1ccccc1C(C)C ZINC000443077884 567728295 /nfs/dbraw/zinc/72/82/95/567728295.db2.gz KTGQPFNRGGTGMU-UHFFFAOYSA-N -1 3 383.491 3.015 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cn1 ZINC000573670651 567728421 /nfs/dbraw/zinc/72/84/21/567728421.db2.gz BPPCFWBUXSFONY-JTQLQIEISA-N -1 3 392.283 3.157 20 0 GGADHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2Br)c(O)c1 ZINC000461340381 567729637 /nfs/dbraw/zinc/72/96/37/567729637.db2.gz CNWNYTQILNGZNO-UHFFFAOYSA-N -1 3 386.267 3.148 20 0 GGADHM COCCc1cc(O)ccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000508108767 567730259 /nfs/dbraw/zinc/73/02/59/567730259.db2.gz GEZDOXGCTGJKAM-UHFFFAOYSA-N -1 3 380.238 3.230 20 0 GGADHM CN(CCOc1ccc(Br)cc1)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646576682 567730697 /nfs/dbraw/zinc/73/06/97/567730697.db2.gz DHKCKGRNBLTXLI-UHFFFAOYSA-N -1 3 390.237 3.182 20 0 GGADHM Cc1nc(Cc2ccccc2)sc1C(=O)N=c1[nH][n-]cc1Br ZINC000573705257 567731290 /nfs/dbraw/zinc/73/12/90/567731290.db2.gz JNZVYGDOOHUTSP-UHFFFAOYSA-N -1 3 377.267 3.202 20 0 GGADHM CC(C)n1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cn1 ZINC000508114490 567731574 /nfs/dbraw/zinc/73/15/74/567731574.db2.gz CUPIIIRGFPIHON-UHFFFAOYSA-N -1 3 379.667 3.076 20 0 GGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc2c(c1)OCO2 ZINC000508127950 567731658 /nfs/dbraw/zinc/73/16/58/567731658.db2.gz LVHCOJWWPWKMQJ-UHFFFAOYSA-N -1 3 391.630 3.027 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2 ZINC000508114393 567731866 /nfs/dbraw/zinc/73/18/66/567731866.db2.gz YWJXNEZBCQLCNV-UHFFFAOYSA-N -1 3 383.897 3.374 20 0 GGADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)C(C)(C)C)cc1F ZINC000532756578 567732643 /nfs/dbraw/zinc/73/26/43/567732643.db2.gz GVLWWTDVMIYLRU-GFCCVEGCSA-N -1 3 394.534 3.031 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000443102449 567733096 /nfs/dbraw/zinc/73/30/96/567733096.db2.gz LLZIVYOXIUOANJ-UHFFFAOYSA-N -1 3 379.865 3.137 20 0 GGADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)cc1F ZINC000532756580 567733531 /nfs/dbraw/zinc/73/35/31/567733531.db2.gz GVLWWTDVMIYLRU-LBPRGKRZSA-N -1 3 394.534 3.031 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CC3CCC(F)(F)CC3)cc2N1 ZINC000554527242 567733679 /nfs/dbraw/zinc/73/36/79/567733679.db2.gz QUIGZOITTCDFKT-UHFFFAOYSA-N -1 3 392.855 3.329 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000573750120 567733785 /nfs/dbraw/zinc/73/37/85/567733785.db2.gz KHFGANOPKBHJIO-INIZCTEOSA-N -1 3 377.238 3.439 20 0 GGADHM COc1cc(C(=O)N[C@@H](CCO)c2ccccc2Br)ccc1[O-] ZINC000443119540 567733849 /nfs/dbraw/zinc/73/38/49/567733849.db2.gz YLFFMMDIABYLHW-AWEZNQCLSA-N -1 3 380.238 3.017 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000443116417 567733916 /nfs/dbraw/zinc/73/39/16/567733916.db2.gz PYNZIPIUUXQJGZ-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM COC(=O)[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(Cl)cc1Cl ZINC000443125297 567734101 /nfs/dbraw/zinc/73/41/01/567734101.db2.gz FBXCECDMHVBZJL-HNNXBMFYSA-N -1 3 384.215 3.352 20 0 GGADHM Cc1cc2c(o1)c(C(=O)NCc1cnc(C)[n-]c1=O)ccc2Br ZINC000443126289 567734317 /nfs/dbraw/zinc/73/43/17/567734317.db2.gz ALTQCDQIHYEQGN-UHFFFAOYSA-N -1 3 376.210 3.238 20 0 GGADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443121204 567734327 /nfs/dbraw/zinc/73/43/27/567734327.db2.gz WMUPZVKYAGJSBZ-GFCCVEGCSA-N -1 3 385.507 3.171 20 0 GGADHM O=S(=O)([N-]CCNCc1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000532783335 567734978 /nfs/dbraw/zinc/73/49/78/567734978.db2.gz CBTALUOUXOCRCD-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000508192701 567735359 /nfs/dbraw/zinc/73/53/59/567735359.db2.gz FVZFEFQKCGKEFL-OAHLLOKOSA-N -1 3 381.416 3.241 20 0 GGADHM CC(C)(C)[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000573768699 567735461 /nfs/dbraw/zinc/73/54/61/567735461.db2.gz CNDYRLTZTOAULQ-LLVKDONJSA-N -1 3 393.336 3.166 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1Cl ZINC000443135029 567735480 /nfs/dbraw/zinc/73/54/80/567735480.db2.gz QHXVCYMRRMCOHO-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000443134254 567735626 /nfs/dbraw/zinc/73/56/26/567735626.db2.gz PCLKMNWBBHQUMQ-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000508191910 567735597 /nfs/dbraw/zinc/73/55/97/567735597.db2.gz PLJBHVFPCVATCI-UHFFFAOYSA-N -1 3 389.260 3.295 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C ZINC000532798494 567735687 /nfs/dbraw/zinc/73/56/87/567735687.db2.gz NJIBPTMCHNEEHW-MRXNPFEDSA-N -1 3 379.865 3.401 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000508192698 567736059 /nfs/dbraw/zinc/73/60/59/567736059.db2.gz FVZFEFQKCGKEFL-HNNXBMFYSA-N -1 3 381.416 3.241 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1cc(Br)ccc1Cl ZINC000443156530 567736259 /nfs/dbraw/zinc/73/62/59/567736259.db2.gz ODIOEGLUEKFBLS-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM CCCCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461470087 567738443 /nfs/dbraw/zinc/73/84/43/567738443.db2.gz DAFNPTNQFXIKPG-SNVBAGLBSA-N -1 3 392.880 3.064 20 0 GGADHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000443193489 567738635 /nfs/dbraw/zinc/73/86/35/567738635.db2.gz VTAAJMFNHYBAPI-CYBMUJFWSA-N -1 3 390.288 3.020 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCCO)cc1)c1cc2cc(Cl)ccc2s1 ZINC000443189773 567738785 /nfs/dbraw/zinc/73/87/85/567738785.db2.gz LFFRWNFVKVUCNE-UHFFFAOYSA-N -1 3 397.905 3.404 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c(Cl)c1 ZINC000443214800 567739799 /nfs/dbraw/zinc/73/97/99/567739799.db2.gz VUCZRRRLFWGYBB-GOEBONIOSA-N -1 3 389.851 3.164 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cccc(Br)c1[O-] ZINC000532863110 567740219 /nfs/dbraw/zinc/74/02/19/567740219.db2.gz LIRFRDDFHLJQSI-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646756558 567740361 /nfs/dbraw/zinc/74/03/61/567740361.db2.gz ZBZSKRGUNVSBCD-UHFFFAOYSA-N -1 3 390.169 3.072 20 0 GGADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000532853580 567740445 /nfs/dbraw/zinc/74/04/45/567740445.db2.gz JIVRFAFJBJQKBR-GFCCVEGCSA-N -1 3 386.926 3.450 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCCCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000508271866 567740715 /nfs/dbraw/zinc/74/07/15/567740715.db2.gz XCRTWIJKRKWADX-UHFFFAOYSA-N -1 3 392.321 3.149 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1c(Cl)ccc2ccccc21 ZINC000443226660 567741015 /nfs/dbraw/zinc/74/10/15/567741015.db2.gz QPQWMILGTRZYDO-INIZCTEOSA-N -1 3 375.877 3.375 20 0 GGADHM O=C(NCCc1cc(Br)ccc1F)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646764046 567741350 /nfs/dbraw/zinc/74/13/50/567741350.db2.gz HYLRPIDBLJDXES-UHFFFAOYSA-N -1 3 378.201 3.143 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)CCCSc1ccc(Br)cc1 ZINC000573859750 567741606 /nfs/dbraw/zinc/74/16/06/567741606.db2.gz AMEMKGZNFMVYLH-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)CCCSc1ccc(Br)cc1 ZINC000573859750 567741614 /nfs/dbraw/zinc/74/16/14/567741614.db2.gz AMEMKGZNFMVYLH-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646787733 567742656 /nfs/dbraw/zinc/74/26/56/567742656.db2.gz SMOMWDCVTKGDIY-UHFFFAOYSA-N -1 3 378.201 3.442 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2OCCO)c1Cl ZINC000443249650 567743353 /nfs/dbraw/zinc/74/33/53/567743353.db2.gz NWAYZUFFNUYXIQ-UHFFFAOYSA-N -1 3 390.288 3.151 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c(Cl)c1Cl ZINC000443267792 567743539 /nfs/dbraw/zinc/74/35/39/567743539.db2.gz HFXUOGMVHNDFLC-LLVKDONJSA-N -1 3 394.251 3.153 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000554707114 567743817 /nfs/dbraw/zinc/74/38/17/567743817.db2.gz DFFZEEIUVXIWNF-BDJLRTHQSA-N -1 3 382.279 3.391 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)cc1Cl ZINC000443263503 567743840 /nfs/dbraw/zinc/74/38/40/567743840.db2.gz AUCSGYMTTXVFOX-CYBMUJFWSA-N -1 3 394.251 3.153 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c(Cl)c1Cl ZINC000443263158 567744035 /nfs/dbraw/zinc/74/40/35/567744035.db2.gz MGEFVHSHHQFNDM-LLVKDONJSA-N -1 3 394.251 3.153 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1ccc(Br)c(F)c1 ZINC000443266421 567744179 /nfs/dbraw/zinc/74/41/79/567744179.db2.gz FWVBSTTZZBNMSE-UHFFFAOYSA-N -1 3 388.258 3.205 20 0 GGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000443278723 567745452 /nfs/dbraw/zinc/74/54/52/567745452.db2.gz WVQGZDQVIXESKO-UHFFFAOYSA-N -1 3 382.295 3.198 20 0 GGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443285168 567745893 /nfs/dbraw/zinc/74/58/93/567745893.db2.gz SHADVYWULIDPLQ-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3Cl)cc2N1 ZINC000554733769 567746015 /nfs/dbraw/zinc/74/60/15/567746015.db2.gz HKAOLGFMIYQYKZ-UHFFFAOYSA-N -1 3 388.779 3.409 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443299555 567746630 /nfs/dbraw/zinc/74/66/30/567746630.db2.gz RSHYQQMQQYHTFF-RNCFNFMXSA-N -1 3 384.723 3.178 20 0 GGADHM COc1cc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)ccc1[O-] ZINC000443288090 567746665 /nfs/dbraw/zinc/74/66/65/567746665.db2.gz SYDHQKNCANGXBQ-LLVKDONJSA-N -1 3 380.238 3.361 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1ccc(F)cc1Br ZINC000443313027 567747140 /nfs/dbraw/zinc/74/71/40/567747140.db2.gz OKYWEDGIDLCEPX-AWEZNQCLSA-N -1 3 394.306 3.198 20 0 GGADHM CC1(C)CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000508404674 567747370 /nfs/dbraw/zinc/74/73/70/567747370.db2.gz ULOXYFWSFQGBII-LLVKDONJSA-N -1 3 393.336 3.357 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)CC1CCCC1)c1cc(F)ccc1Br ZINC000461792839 567748156 /nfs/dbraw/zinc/74/81/56/567748156.db2.gz ZXNRLEPPJUYDQG-LBPRGKRZSA-N -1 3 394.306 3.055 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000443324653 567748554 /nfs/dbraw/zinc/74/85/54/567748554.db2.gz YKPVIHQJXIGACP-VIFPVBQESA-N -1 3 398.308 3.324 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443333367 567749346 /nfs/dbraw/zinc/74/93/46/567749346.db2.gz JUSVWCNLPJBXGQ-KOLCDFICSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000461823197 567749628 /nfs/dbraw/zinc/74/96/28/567749628.db2.gz XQQZAGHUTUEPKH-KFWWJZLASA-N -1 3 387.929 3.470 20 0 GGADHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000461802684 567749781 /nfs/dbraw/zinc/74/97/81/567749781.db2.gz USACZBQGJXZDNX-KBPBESRZSA-N -1 3 386.583 3.167 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C ZINC000443336310 567750019 /nfs/dbraw/zinc/75/00/19/567750019.db2.gz REBFDMWLBSXFRB-CYBMUJFWSA-N -1 3 385.507 3.027 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000574003436 567749947 /nfs/dbraw/zinc/74/99/47/567749947.db2.gz XCKASWYFUOYLDW-NSHDSACASA-N -1 3 389.857 3.293 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)sc1Br ZINC000443343019 567750142 /nfs/dbraw/zinc/75/01/42/567750142.db2.gz OEILEANRZYZTFN-GWCFXTLKSA-N -1 3 382.345 3.039 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(C)(C)O ZINC000554800446 567750256 /nfs/dbraw/zinc/75/02/56/567750256.db2.gz WIEVSHMOZSYYRB-LBPRGKRZSA-N -1 3 384.723 3.176 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C ZINC000461860526 567750430 /nfs/dbraw/zinc/75/04/30/567750430.db2.gz VBVRCFFSJMWRBK-HZSPNIEDSA-N -1 3 375.918 3.468 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000533094159 567750466 /nfs/dbraw/zinc/75/04/66/567750466.db2.gz GTTFASQGQWQQOL-AWEZNQCLSA-N -1 3 376.261 3.014 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2c(F)cccc2Cl)c1 ZINC000443345147 567750474 /nfs/dbraw/zinc/75/04/74/567750474.db2.gz QWFBDJFIGQHHLQ-LBPRGKRZSA-N -1 3 389.851 3.056 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000443351912 567750677 /nfs/dbraw/zinc/75/06/77/567750677.db2.gz ONKOTZUELTUUOF-CQSZACIVSA-N -1 3 379.865 3.449 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)c(Cl)c1Cl ZINC000443358649 567750769 /nfs/dbraw/zinc/75/07/69/567750769.db2.gz QLTHZEXWFRAYHK-WFASDCNBSA-N -1 3 382.309 3.222 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(SC)cc2)cc1F ZINC000461879014 567750922 /nfs/dbraw/zinc/75/09/22/567750922.db2.gz YONGHMRMUYUKAJ-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)s1 ZINC000533094569 567751217 /nfs/dbraw/zinc/75/12/17/567751217.db2.gz GYOSEDADIIKPIN-LBPRGKRZSA-N -1 3 382.345 3.039 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)sc1Br ZINC000533095189 567751394 /nfs/dbraw/zinc/75/13/94/567751394.db2.gz SPTQYOVGGIIMMA-GFCCVEGCSA-N -1 3 390.324 3.139 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC[C@@H]1O ZINC000443354457 567751457 /nfs/dbraw/zinc/75/14/57/567751457.db2.gz ISBRSOCPRRDQCW-UONOGXRCSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC[C@H]1O ZINC000443354456 567751480 /nfs/dbraw/zinc/75/14/80/567751480.db2.gz ISBRSOCPRRDQCW-KGLIPLIRSA-N -1 3 396.734 3.322 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)C1CC1 ZINC000574035583 567751741 /nfs/dbraw/zinc/75/17/41/567751741.db2.gz CGSXFUGFVDGUCB-CQSZACIVSA-N -1 3 396.734 3.337 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCC[C@@H]1O ZINC000443375440 567752249 /nfs/dbraw/zinc/75/22/49/567752249.db2.gz OOHGLYRHQCHFKA-KBPBESRZSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000443370058 567752424 /nfs/dbraw/zinc/75/24/24/567752424.db2.gz BPQUOMPHCXWLSW-SNVBAGLBSA-N -1 3 388.258 3.203 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443360196 567752752 /nfs/dbraw/zinc/75/27/52/567752752.db2.gz KWKYPHJSCIESNZ-UONOGXRCSA-N -1 3 391.942 3.469 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000443370056 567752870 /nfs/dbraw/zinc/75/28/70/567752870.db2.gz BPQUOMPHCXWLSW-JTQLQIEISA-N -1 3 388.258 3.203 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)sc1Br ZINC000443378965 567753422 /nfs/dbraw/zinc/75/34/22/567753422.db2.gz KJIBIKAMVXPVAJ-NSHDSACASA-N -1 3 382.345 3.039 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)s1 ZINC000443389098 567753627 /nfs/dbraw/zinc/75/36/27/567753627.db2.gz QYIFGJFHKGPEHN-SECBINFHSA-N -1 3 390.324 3.434 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000443383870 567753847 /nfs/dbraw/zinc/75/38/47/567753847.db2.gz KIZKWURSESBQSS-SNVBAGLBSA-N -1 3 377.359 3.460 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)c1 ZINC000533120640 567754178 /nfs/dbraw/zinc/75/41/78/567754178.db2.gz YTXWYWIWWOWGLZ-UHFFFAOYSA-N -1 3 378.281 3.128 20 0 GGADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1 ZINC000443406697 567754644 /nfs/dbraw/zinc/75/46/44/567754644.db2.gz BAVQVFPQWFEZDY-UHFFFAOYSA-N -1 3 382.869 3.241 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)COc2ncccc2C(F)(F)F)s1 ZINC000533176468 567756012 /nfs/dbraw/zinc/75/60/12/567756012.db2.gz HQNBDTMCKRZNKL-UHFFFAOYSA-N -1 3 395.428 3.001 20 0 GGADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)ccn1 ZINC000443419436 567756034 /nfs/dbraw/zinc/75/60/34/567756034.db2.gz VPALIZQTJHCBIF-UHFFFAOYSA-N -1 3 390.690 3.364 20 0 GGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443421788 567756200 /nfs/dbraw/zinc/75/62/00/567756200.db2.gz FAPHNQFWBILJMU-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM COC(=O)c1cc(Br)cc(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000461936319 567756819 /nfs/dbraw/zinc/75/68/19/567756819.db2.gz YMQZPICMONXJKP-UHFFFAOYSA-N -1 3 392.181 3.277 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000533179310 567756969 /nfs/dbraw/zinc/75/69/69/567756969.db2.gz GRICTNDMOOYKQU-VIFPVBQESA-N -1 3 391.237 3.032 20 0 GGADHM CC1(C)C[C@]1(C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000598385504 567759750 /nfs/dbraw/zinc/75/97/50/567759750.db2.gz KBVRUQZJBOGKFS-INIZCTEOSA-N -1 3 396.228 3.051 20 0 GGADHM CO[C@](C)(C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C1CC1 ZINC000462025437 567759782 /nfs/dbraw/zinc/75/97/82/567759782.db2.gz FFHKDZAKSTXLBZ-INIZCTEOSA-N -1 3 382.233 3.154 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)OCCc2sccc21 ZINC000554970579 567760339 /nfs/dbraw/zinc/76/03/39/567760339.db2.gz LOWSWMZMNRHHON-MRXNPFEDSA-N -1 3 389.901 3.448 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CCC1 ZINC000443483586 567761001 /nfs/dbraw/zinc/76/10/01/567761001.db2.gz BNXRHMSTHZDJBA-UHFFFAOYSA-N -1 3 389.901 3.002 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1)C(C)C ZINC000647123260 567761125 /nfs/dbraw/zinc/76/11/25/567761125.db2.gz IZNZJRFMZWBIHY-HNNXBMFYSA-N -1 3 382.507 3.413 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1)C(C)C ZINC000647122421 567761416 /nfs/dbraw/zinc/76/14/16/567761416.db2.gz FMDNGZNPCVHDJT-MRXNPFEDSA-N -1 3 379.507 3.476 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1)C(C)C ZINC000647122420 567761686 /nfs/dbraw/zinc/76/16/86/567761686.db2.gz FMDNGZNPCVHDJT-INIZCTEOSA-N -1 3 379.507 3.476 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000462048547 567762070 /nfs/dbraw/zinc/76/20/70/567762070.db2.gz BOCBEVNKFPEYRE-LLVKDONJSA-N -1 3 386.253 3.049 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000462048547 567762075 /nfs/dbraw/zinc/76/20/75/567762075.db2.gz BOCBEVNKFPEYRE-LLVKDONJSA-N -1 3 386.253 3.049 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1F ZINC000443494306 567762998 /nfs/dbraw/zinc/76/29/98/567762998.db2.gz VPGQSPMIWOGUGY-UHFFFAOYSA-N -1 3 394.649 3.426 20 0 GGADHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc(C)c1F ZINC000443509025 567763354 /nfs/dbraw/zinc/76/33/54/567763354.db2.gz JYUANJMSPORXGL-UHFFFAOYSA-N -1 3 388.258 3.389 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc2ccccc21 ZINC000624141751 567763349 /nfs/dbraw/zinc/76/33/49/567763349.db2.gz AHHWAVNICQVNJT-UHFFFAOYSA-N -1 3 394.905 3.496 20 0 GGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]Cc1noc(-c2cccs2)n1 ZINC000508726291 567763439 /nfs/dbraw/zinc/76/34/39/567763439.db2.gz GRMXKEOPTPAGSD-UHFFFAOYSA-N -1 3 383.882 3.114 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(C)ncc1C ZINC000533331368 567764981 /nfs/dbraw/zinc/76/49/81/567764981.db2.gz LRDHZUQQTGAKAD-UHFFFAOYSA-N -1 3 385.283 3.001 20 0 GGADHM O=c1[n-]c(=O)n(Cc2cccc(Br)c2OC(F)F)cc1Cl ZINC000443518301 567765598 /nfs/dbraw/zinc/76/55/98/567765598.db2.gz RMXKHMOGAQHYES-UHFFFAOYSA-N -1 3 381.560 3.015 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3nc(C)sc3C)[n-]c(=O)c12 ZINC000443520510 567765777 /nfs/dbraw/zinc/76/57/77/567765777.db2.gz ZKHDHKINAYKQLT-UHFFFAOYSA-N -1 3 376.463 3.191 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1ccc(C(F)(F)F)s1 ZINC000462074440 567765995 /nfs/dbraw/zinc/76/59/95/567765995.db2.gz OBFYYOOWYYVJJC-UHFFFAOYSA-N -1 3 397.469 3.171 20 0 GGADHM COc1ccc(COCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462071622 567766105 /nfs/dbraw/zinc/76/61/05/567766105.db2.gz GAKAHHPCISVUMJ-UHFFFAOYSA-N -1 3 395.424 3.271 20 0 GGADHM O=C(C[N-]S(=O)(=O)CCc1cccc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000508776035 567766480 /nfs/dbraw/zinc/76/64/80/567766480.db2.gz WZAALKWEEVRFPI-UHFFFAOYSA-N -1 3 387.288 3.094 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1cc(Cl)ccc1Cl ZINC000508798346 567766781 /nfs/dbraw/zinc/76/67/81/567766781.db2.gz SDTSWMUPSZEPAN-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM COc1ccc(NC(=O)c2ccc(F)cc2I)c([O-])c1 ZINC000443561520 567767251 /nfs/dbraw/zinc/76/72/51/567767251.db2.gz TWTZUNFXPANTPU-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)s1 ZINC000462080139 567767371 /nfs/dbraw/zinc/76/73/71/567767371.db2.gz JSIBLXNEGAKKQJ-UHFFFAOYSA-N -1 3 377.409 3.223 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1CCSCC1 ZINC000624208807 567767853 /nfs/dbraw/zinc/76/78/53/567767853.db2.gz VCGGAEVTLWVQQY-UHFFFAOYSA-N -1 3 380.329 3.022 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)s1 ZINC000624210035 567768000 /nfs/dbraw/zinc/76/80/00/567768000.db2.gz TUIZCJRXIHGYAQ-KGLIPLIRSA-N -1 3 380.535 3.417 20 0 GGADHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462080696 567768469 /nfs/dbraw/zinc/76/84/69/567768469.db2.gz XKQFOKOMYDLLIQ-RNCFNFMXSA-N -1 3 385.429 3.167 20 0 GGADHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462091205 567769444 /nfs/dbraw/zinc/76/94/44/567769444.db2.gz RTFUGHQAXNHGOG-UHFFFAOYSA-N -1 3 389.424 3.404 20 0 GGADHM COCCCCS(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000555120553 567769506 /nfs/dbraw/zinc/76/95/06/567769506.db2.gz ZRBOKHNMCNMRLM-UHFFFAOYSA-N -1 3 386.857 3.354 20 0 GGADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1ccc(C(F)(F)F)s1 ZINC000462089776 567769711 /nfs/dbraw/zinc/76/97/11/567769711.db2.gz IJNYYVLFQHINGN-NSHDSACASA-N -1 3 394.440 3.475 20 0 GGADHM Cc1c2ccc(F)cc2sc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000574301330 567769844 /nfs/dbraw/zinc/76/98/44/567769844.db2.gz CDMDZVGULVOJMK-UHFFFAOYSA-N -1 3 398.506 3.119 20 0 GGADHM CCCNC(=O)C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCCC1 ZINC000462093987 567769995 /nfs/dbraw/zinc/76/99/95/567769995.db2.gz VYWGKJQEJVDRGB-UHFFFAOYSA-N -1 3 398.472 3.274 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1cccc(Cl)c1 ZINC000574310541 567770704 /nfs/dbraw/zinc/77/07/04/567770704.db2.gz SJMQLMNMHAIOKH-CYBMUJFWSA-N -1 3 383.882 3.011 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(C(F)(F)F)s1 ZINC000462096153 567771558 /nfs/dbraw/zinc/77/15/58/567771558.db2.gz CGSUDHFHSDGFFK-LLVKDONJSA-N -1 3 397.415 3.036 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC ZINC000508873595 567771743 /nfs/dbraw/zinc/77/17/43/567771743.db2.gz OXQAGBFWASVWOZ-PELKAZGASA-N -1 3 387.807 3.225 20 0 GGADHM CSc1cccc(S(=O)(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000555141956 567772113 /nfs/dbraw/zinc/77/21/13/567772113.db2.gz CVPJVCOYAJIGRI-UHFFFAOYSA-N -1 3 394.909 3.080 20 0 GGADHM O=S(=O)([N-]CCn1cnc2ccccc21)c1ccc(C(F)(F)F)s1 ZINC000462105623 567772362 /nfs/dbraw/zinc/77/23/62/567772362.db2.gz PMZOWCGKMKSUTK-UHFFFAOYSA-N -1 3 375.397 3.095 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1ccc(C(F)(F)F)s1 ZINC000462101742 567772375 /nfs/dbraw/zinc/77/23/75/567772375.db2.gz KFAVJDUNWPRAFG-QWRGUYRKSA-N -1 3 379.429 3.426 20 0 GGADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000443722905 567772456 /nfs/dbraw/zinc/77/24/56/567772456.db2.gz WNCSWGBIBNIUGG-UHFFFAOYSA-N -1 3 389.882 3.065 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(C(F)(F)F)s1 ZINC000462101741 567772540 /nfs/dbraw/zinc/77/25/40/567772540.db2.gz KFAVJDUNWPRAFG-MNOVXSKESA-N -1 3 379.429 3.426 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(F)c1I ZINC000533535817 567772558 /nfs/dbraw/zinc/77/25/58/567772558.db2.gz UGHSSDAKISEPJS-UHFFFAOYSA-N -1 3 389.139 3.205 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000462104158 567772570 /nfs/dbraw/zinc/77/25/70/567772570.db2.gz QVANQPWRBVJCGB-UHFFFAOYSA-N -1 3 378.441 3.177 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000443724498 567772754 /nfs/dbraw/zinc/77/27/54/567772754.db2.gz ZGZPCFCOEXMHGO-MRVPVSSYSA-N -1 3 391.262 3.275 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000443735457 567773385 /nfs/dbraw/zinc/77/33/85/567773385.db2.gz UECMRLDERCSDSH-QMMMGPOBSA-N -1 3 391.262 3.275 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H](O)Cc1ccccc1 ZINC000462108629 567773355 /nfs/dbraw/zinc/77/33/55/567773355.db2.gz GKUJRRPIEILWNQ-JQWIXIFHSA-N -1 3 379.425 3.037 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc(F)c1 ZINC000462110026 567773526 /nfs/dbraw/zinc/77/35/26/567773526.db2.gz SBKGWYGEEZFBAB-GFCCVEGCSA-N -1 3 396.431 3.487 20 0 GGADHM CC[C@H](NCc1cccc([O-])c1Br)C(=O)NCc1cccs1 ZINC000647241471 567773606 /nfs/dbraw/zinc/77/36/06/567773606.db2.gz OVJWVRMFSKMTOX-ZDUSSCGKSA-N -1 3 383.311 3.401 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000533547580 567774199 /nfs/dbraw/zinc/77/41/99/567774199.db2.gz PRVJIJDTKLBRQF-HZMBPMFUSA-N -1 3 383.853 3.322 20 0 GGADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000443754826 567774694 /nfs/dbraw/zinc/77/46/94/567774694.db2.gz YABDIEDIEVUFTL-CYBMUJFWSA-N -1 3 383.491 3.224 20 0 GGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000533553201 567775144 /nfs/dbraw/zinc/77/51/44/567775144.db2.gz TVSUBZXIXSGILN-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM COCCCOc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000443765397 567775258 /nfs/dbraw/zinc/77/52/58/567775258.db2.gz QBUPOHWLJCMMGS-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)s1 ZINC000533554652 567775344 /nfs/dbraw/zinc/77/53/44/567775344.db2.gz VJTVYUSLXOPIRJ-CYBMUJFWSA-N -1 3 390.324 3.139 20 0 GGADHM CCCOc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000533562534 567775475 /nfs/dbraw/zinc/77/54/75/567775475.db2.gz XTGZVDPTDZTOGD-UHFFFAOYSA-N -1 3 388.942 3.258 20 0 GGADHM CCc1ccnc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000574389749 567775665 /nfs/dbraw/zinc/77/56/65/567775665.db2.gz BSDKFZBUIIDHLZ-UHFFFAOYSA-N -1 3 386.249 3.178 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000533554076 567775692 /nfs/dbraw/zinc/77/56/92/567775692.db2.gz LNLQJPLDRUQKTA-AWEZNQCLSA-N -1 3 376.261 3.014 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000533553537 567775878 /nfs/dbraw/zinc/77/58/78/567775878.db2.gz ILQHXTJBLGPELI-ZDUSSCGKSA-N -1 3 390.288 3.322 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc(Cl)c1F)c1ccc(Cl)s1 ZINC000533562537 567775965 /nfs/dbraw/zinc/77/59/65/567775965.db2.gz YVJPEQKBLCLDFV-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790793 567776253 /nfs/dbraw/zinc/77/62/53/567776253.db2.gz PLISJRDCRSYZAU-VHSXEESVSA-N -1 3 393.734 3.006 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443773166 567776351 /nfs/dbraw/zinc/77/63/51/567776351.db2.gz PIMYXLBSFQNCEO-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2cccs2)no1 ZINC000598565746 567776475 /nfs/dbraw/zinc/77/64/75/567776475.db2.gz QVJRWBKWPZWYEM-JTQLQIEISA-N -1 3 383.882 3.415 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1F ZINC000574422580 567777857 /nfs/dbraw/zinc/77/78/57/567777857.db2.gz UNXAARSEXLWAPN-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H]3CCO[C@@H]3C)nc(=O)c2c1C ZINC000533625826 567778872 /nfs/dbraw/zinc/77/88/72/567778872.db2.gz ULEVHPKMVIJKKX-VWYCJHECSA-N -1 3 382.507 3.441 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCc2nc(-c3ccncc3)cs2)c(F)c1 ZINC000443891033 567779353 /nfs/dbraw/zinc/77/93/53/567779353.db2.gz ZAVHHGOFOZORCS-UHFFFAOYSA-N -1 3 377.466 3.174 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1cncc(Cl)c1 ZINC000533634892 567779591 /nfs/dbraw/zinc/77/95/91/567779591.db2.gz WUEHMXNOFXNWCM-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000533635173 567779595 /nfs/dbraw/zinc/77/95/95/567779595.db2.gz NSMNCYGPIOAQMQ-AWEZNQCLSA-N -1 3 375.903 3.026 20 0 GGADHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000533635045 567779774 /nfs/dbraw/zinc/77/97/74/567779774.db2.gz GRDJPALNPGSIMB-CQSZACIVSA-N -1 3 379.913 3.239 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(C)cc2OCC(F)(F)F)s1 ZINC000533635095 567780096 /nfs/dbraw/zinc/78/00/96/567780096.db2.gz JALYLGUGDKJGHI-UHFFFAOYSA-N -1 3 380.413 3.180 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2C(F)(F)F)s1 ZINC000533634163 567780128 /nfs/dbraw/zinc/78/01/28/567780128.db2.gz PFFLKLPDTHARNI-VIFPVBQESA-N -1 3 380.413 3.216 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)Cc2cccc(Br)c2)s1 ZINC000533634656 567780257 /nfs/dbraw/zinc/78/02/57/567780257.db2.gz IYPDPBFEPUWRLG-SECBINFHSA-N -1 3 375.313 3.124 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC000555371477 567781288 /nfs/dbraw/zinc/78/12/88/567781288.db2.gz IJKBWRCZUVATOS-OAHLLOKOSA-N -1 3 389.304 3.427 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(Br)cc1F ZINC000443942156 567781332 /nfs/dbraw/zinc/78/13/32/567781332.db2.gz JGMIQWQWDKHDJE-UHFFFAOYSA-N -1 3 399.285 3.341 20 0 GGADHM C[C@@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000647368071 567781747 /nfs/dbraw/zinc/78/17/47/567781747.db2.gz RVJNAIYJEAFTQG-MLGOLLRUSA-N -1 3 390.281 3.449 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)ccc1OC(F)F)c1cncc(Cl)c1 ZINC000555412008 567782088 /nfs/dbraw/zinc/78/20/88/567782088.db2.gz ZECZECKEXYWMGW-UHFFFAOYSA-N -1 3 383.203 3.468 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1cc2cc(Cl)ccc2s1 ZINC000533696422 567782808 /nfs/dbraw/zinc/78/28/08/567782808.db2.gz DIILAHADKQAOIA-LLVKDONJSA-N -1 3 385.894 3.277 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(N)=O)c2ccccc2)c1Cl ZINC000555418991 567783448 /nfs/dbraw/zinc/78/34/48/567783448.db2.gz KECXVQHCTRCDPF-CYBMUJFWSA-N -1 3 387.288 3.197 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(C)(C)O ZINC000555421460 567783532 /nfs/dbraw/zinc/78/35/32/567783532.db2.gz QADSPYXWRQKBGG-INIZCTEOSA-N -1 3 375.918 3.347 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000555414300 567783544 /nfs/dbraw/zinc/78/35/44/567783544.db2.gz KTLAHEGDNITCMN-UHFFFAOYSA-N -1 3 394.802 3.283 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)s1 ZINC000555414672 567783591 /nfs/dbraw/zinc/78/35/91/567783591.db2.gz BOQFGKXBEMHFBP-LBPRGKRZSA-N -1 3 396.372 3.286 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)N(C)C ZINC000533711498 567784007 /nfs/dbraw/zinc/78/40/07/567784007.db2.gz CSROCIUQMDKKAS-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)N(C)C ZINC000533711497 567784331 /nfs/dbraw/zinc/78/43/31/567784331.db2.gz CSROCIUQMDKKAS-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1F ZINC000443993392 567784674 /nfs/dbraw/zinc/78/46/74/567784674.db2.gz LOQCQHOKXVGERH-UHFFFAOYSA-N -1 3 377.315 3.052 20 0 GGADHM Cc1cc(C(=O)N=c2cc(-c3ccc(I)cc3)[n-][nH]2)co1 ZINC000444011442 567785650 /nfs/dbraw/zinc/78/56/50/567785650.db2.gz PVKSWIVGIWZKPH-UHFFFAOYSA-N -1 3 393.184 3.257 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(NC)s2)c(F)cc1F ZINC000574573437 567786191 /nfs/dbraw/zinc/78/61/91/567786191.db2.gz LJYOGAQYKNYJRM-UHFFFAOYSA-N -1 3 389.449 3.472 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000574599960 567787195 /nfs/dbraw/zinc/78/71/95/567787195.db2.gz DLSXIUZEIJYHAJ-JTQLQIEISA-N -1 3 396.843 3.021 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)c(OC)cc1Br ZINC000444059894 567788053 /nfs/dbraw/zinc/78/80/53/567788053.db2.gz SYZMMODLNWTOSM-MNOVXSKESA-N -1 3 392.315 3.323 20 0 GGADHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000533820184 567788244 /nfs/dbraw/zinc/78/82/44/567788244.db2.gz UFTGSOJOIVLSBD-HNNXBMFYSA-N -1 3 399.285 3.053 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)[C@H]2CCCO[C@H]21 ZINC000444068424 567788805 /nfs/dbraw/zinc/78/88/05/567788805.db2.gz BTRHCGTYKWNNMR-LERXQTSPSA-N -1 3 381.391 3.326 20 0 GGADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)OC)c2)c1 ZINC000444064736 567788827 /nfs/dbraw/zinc/78/88/27/567788827.db2.gz LKGYEPXKHAUARP-UHFFFAOYSA-N -1 3 382.507 3.177 20 0 GGADHM O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000533809606 567788788 /nfs/dbraw/zinc/78/87/88/567788788.db2.gz YRYAVZMEBZOVOA-UHFFFAOYSA-N -1 3 391.221 3.482 20 0 GGADHM COc1cc2c(cc1C[N-]S(=O)(=O)c1ccccc1SC)O[C@@H](C)C2 ZINC000444068021 567788967 /nfs/dbraw/zinc/78/89/67/567788967.db2.gz AYYNVMJHUKPWSW-LBPRGKRZSA-N -1 3 379.503 3.219 20 0 GGADHM O=C(Nc1cccc(CN2CCOCC2)c1)c1cc([O-])cc(Br)c1 ZINC000624577164 567789024 /nfs/dbraw/zinc/78/90/24/567789024.db2.gz NBHZEHNZWQCOFV-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCC[C@@H](F)C2)cc(C(F)(F)F)c1 ZINC000574641915 567789117 /nfs/dbraw/zinc/78/91/17/567789117.db2.gz YIDCYIHXHJFOCU-NEPJUHHUSA-N -1 3 382.379 3.087 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]2CCCO[C@@H]21 ZINC000444068420 567789220 /nfs/dbraw/zinc/78/92/20/567789220.db2.gz BTRHCGTYKWNNMR-GDLCADMTSA-N -1 3 381.391 3.326 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000444074292 567789869 /nfs/dbraw/zinc/78/98/69/567789869.db2.gz RMXLIXYZKFBBBQ-GUYCJALGSA-N -1 3 379.503 3.237 20 0 GGADHM CSc1cccc([C@H]([N-]S(=O)(=O)C2COC2)c2ccc(F)c(F)c2)c1 ZINC000555579335 567789938 /nfs/dbraw/zinc/78/99/38/567789938.db2.gz ARRQDEYFLWHZGZ-KRWDZBQOSA-N -1 3 385.457 3.094 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC12CCOCC2)c1cccc(Cl)c1Br ZINC000555582705 567790073 /nfs/dbraw/zinc/79/00/73/567790073.db2.gz OFAWXPAFZRQXBW-SNVBAGLBSA-N -1 3 394.718 3.198 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000444072475 567790209 /nfs/dbraw/zinc/79/02/09/567790209.db2.gz OACUWSZNRQZAOU-UHFFFAOYSA-N -1 3 389.445 3.497 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)ccc1F ZINC000574658041 567790509 /nfs/dbraw/zinc/79/05/09/567790509.db2.gz QNYUPVPUQAZXFQ-UHFFFAOYSA-N -1 3 383.807 3.282 20 0 GGADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2ccsc2C(=O)OC)c1F ZINC000533897854 567792038 /nfs/dbraw/zinc/79/20/38/567792038.db2.gz RDXDCVCDHUCFGS-UHFFFAOYSA-N -1 3 377.390 3.012 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCCC1 ZINC000574706955 567792675 /nfs/dbraw/zinc/79/26/75/567792675.db2.gz OGLQZBODFZADLV-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM C[C@@H](CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C1CC1 ZINC000624637310 567793106 /nfs/dbraw/zinc/79/31/06/567793106.db2.gz CFQDRNUXMYLBTJ-NSHDSACASA-N -1 3 384.548 3.064 20 0 GGADHM CC1(CCS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000574725308 567793691 /nfs/dbraw/zinc/79/36/91/567793691.db2.gz COSNGXYQEVJPKI-CYBMUJFWSA-N -1 3 391.320 3.208 20 0 GGADHM Cc1cc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)ns1 ZINC000444145924 567793992 /nfs/dbraw/zinc/79/39/92/567793992.db2.gz XAYHOYUIMATFCQ-UHFFFAOYSA-N -1 3 381.230 3.417 20 0 GGADHM O=C([O-])[C@H](Cc1ccco1)NCc1cc(OC(F)F)ccc1Br ZINC000647645630 567794689 /nfs/dbraw/zinc/79/46/89/567794689.db2.gz IRFJFCIQTCTOBV-ZDUSSCGKSA-N -1 3 390.180 3.429 20 0 GGADHM COc1cc(CC(=O)Nc2cc(Br)ccc2[O-])cc(OC)c1OC ZINC000533965449 567794772 /nfs/dbraw/zinc/79/47/72/567794772.db2.gz VURPTEVSYRCWAY-UHFFFAOYSA-N -1 3 396.237 3.362 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1cc(Br)sc1Cl)C(C)C ZINC000444168040 567795295 /nfs/dbraw/zinc/79/52/95/567795295.db2.gz NGQJWTXOUFYGAL-UHFFFAOYSA-N -1 3 389.768 3.173 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(C(F)(F)F)cc1F ZINC000444183020 567795517 /nfs/dbraw/zinc/79/55/17/567795517.db2.gz MUNXBMGQANIYOD-LBPRGKRZSA-N -1 3 379.306 3.396 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2c(C)nsc2C)c(F)cc1F ZINC000555739147 567796010 /nfs/dbraw/zinc/79/60/10/567796010.db2.gz QZYOCAYCDQPQGY-UHFFFAOYSA-N -1 3 389.449 3.442 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1C ZINC000444188526 567796164 /nfs/dbraw/zinc/79/61/64/567796164.db2.gz DZXKRDIAVSLMBX-UHFFFAOYSA-N -1 3 378.885 3.224 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000668099187 567796432 /nfs/dbraw/zinc/79/64/32/567796432.db2.gz ZBQZVLWTLQWABO-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nnc(C(C)C)n1C ZINC000444198264 567796522 /nfs/dbraw/zinc/79/65/22/567796522.db2.gz PAYFXFDMWKIRFR-UHFFFAOYSA-N -1 3 382.873 3.125 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1ccc(C(F)(F)F)cc1F ZINC000444199804 567796659 /nfs/dbraw/zinc/79/66/59/567796659.db2.gz WHUJULVVJPHQKK-UHFFFAOYSA-N -1 3 383.407 3.456 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)c(F)cc1Br ZINC000668122365 567796897 /nfs/dbraw/zinc/79/68/97/567796897.db2.gz UVWMKYDZRTVEDK-UHFFFAOYSA-N -1 3 391.262 3.487 20 0 GGADHM CO[C@H](c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1)C1CC1 ZINC000574794681 567797109 /nfs/dbraw/zinc/79/71/09/567797109.db2.gz WVLXGDOZGJWEHS-NSHDSACASA-N -1 3 376.214 3.382 20 0 GGADHM CO[C@H](c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1)C1CC1 ZINC000574794681 567797113 /nfs/dbraw/zinc/79/71/13/567797113.db2.gz WVLXGDOZGJWEHS-NSHDSACASA-N -1 3 376.214 3.382 20 0 GGADHM CO[C@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C1CC1 ZINC000574794681 567797117 /nfs/dbraw/zinc/79/71/17/567797117.db2.gz WVLXGDOZGJWEHS-NSHDSACASA-N -1 3 376.214 3.382 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C2)c(OC)cc1Br ZINC000444204331 567797076 /nfs/dbraw/zinc/79/70/76/567797076.db2.gz HQWURBYMKJTXQT-SNVBAGLBSA-N -1 3 392.315 3.323 20 0 GGADHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000534006726 567797168 /nfs/dbraw/zinc/79/71/68/567797168.db2.gz QFMJUYCPVJKLTH-MEBBXXQBSA-N -1 3 380.293 3.394 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCN(C)CC1 ZINC000574794949 567797597 /nfs/dbraw/zinc/79/75/97/567797597.db2.gz KKHIMUUOGRZGQW-UHFFFAOYSA-N -1 3 383.366 3.099 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F ZINC000444225059 567798179 /nfs/dbraw/zinc/79/81/79/567798179.db2.gz PEPINXACWYVCPH-NOZJJQNGSA-N -1 3 389.798 3.241 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)c(Br)c1 ZINC000444216522 567798289 /nfs/dbraw/zinc/79/82/89/567798289.db2.gz CMLQBKHHYGMMPN-PWSUYJOCSA-N -1 3 390.299 3.093 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])C1CN(C(=O)C2CCCCC2)C1 ZINC000574848807 567800466 /nfs/dbraw/zinc/80/04/66/567800466.db2.gz VTGQWECFKOKFIZ-UHFFFAOYSA-N -1 3 381.270 3.132 20 0 GGADHM Cc1ccc(Cl)cc1N(C)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000574865419 567800853 /nfs/dbraw/zinc/80/08/53/567800853.db2.gz GKQBCBVDYKDQIJ-UHFFFAOYSA-N -1 3 384.860 3.119 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccc(C)cn1 ZINC000668223996 567800946 /nfs/dbraw/zinc/80/09/46/567800946.db2.gz LCSUCKAAMBVKTO-UHFFFAOYSA-N -1 3 399.310 3.072 20 0 GGADHM CN(Cc1cc(Br)c([O-])c(Br)c1)CC(C)(C)CO ZINC000668207654 567801286 /nfs/dbraw/zinc/80/12/86/567801286.db2.gz OGUDTKAKMUTKEE-UHFFFAOYSA-N -1 3 381.108 3.368 20 0 GGADHM CCc1ccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c([O-])c1 ZINC000647792604 567801634 /nfs/dbraw/zinc/80/16/34/567801634.db2.gz NGWMLDIAMZMSIP-AWEZNQCLSA-N -1 3 391.265 3.406 20 0 GGADHM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803174 567802409 /nfs/dbraw/zinc/80/24/09/567802409.db2.gz FXACHOMBTXVYFE-UHFFFAOYSA-N -1 3 376.203 3.404 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)c1Cl ZINC000668230019 567802550 /nfs/dbraw/zinc/80/25/50/567802550.db2.gz ZBFIGKGZXMYVMK-AAEUAGOBSA-N -1 3 391.320 3.042 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891199 567803111 /nfs/dbraw/zinc/80/31/11/567803111.db2.gz MJYHTRAQVWDADY-YUMQZZPRSA-N -1 3 382.433 3.438 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)C1=Cc2cc(Br)ccc2OC1 ZINC000534199237 567803298 /nfs/dbraw/zinc/80/32/98/567803298.db2.gz GKDSZRLKHCNSHC-UHFFFAOYSA-N -1 3 387.193 3.242 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)C1=Cc2cc(Br)ccc2OC1 ZINC000534199237 567803301 /nfs/dbraw/zinc/80/33/01/567803301.db2.gz GKDSZRLKHCNSHC-UHFFFAOYSA-N -1 3 387.193 3.242 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1=Cc2cc(Br)ccc2OC1 ZINC000534199237 567803306 /nfs/dbraw/zinc/80/33/06/567803306.db2.gz GKDSZRLKHCNSHC-UHFFFAOYSA-N -1 3 387.193 3.242 20 0 GGADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000624863344 567803508 /nfs/dbraw/zinc/80/35/08/567803508.db2.gz RCBGMNNUYCGPSM-NSHDSACASA-N -1 3 387.305 3.021 20 0 GGADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000624863343 567803706 /nfs/dbraw/zinc/80/37/06/567803706.db2.gz RCBGMNNUYCGPSM-LLVKDONJSA-N -1 3 387.305 3.021 20 0 GGADHM O=C(NCCNc1ncc(Br)c2ccsc21)c1ccc([O-])cc1 ZINC000647857541 567804434 /nfs/dbraw/zinc/80/44/34/567804434.db2.gz ZUUANLGAQJOKOU-UHFFFAOYSA-N -1 3 392.278 3.028 20 0 GGADHM O=S(=O)([N-]CCO[C@@H]1CCCCO1)c1cc(C(F)(F)F)ccc1Cl ZINC000647885553 567804960 /nfs/dbraw/zinc/80/49/60/567804960.db2.gz WXZGDCKRXIYMAL-CYBMUJFWSA-N -1 3 387.807 3.180 20 0 GGADHM O=S(=O)([N-]CCO[C@H]1CCCCO1)c1cc(C(F)(F)F)ccc1Cl ZINC000647885554 567804992 /nfs/dbraw/zinc/80/49/92/567804992.db2.gz WXZGDCKRXIYMAL-ZDUSSCGKSA-N -1 3 387.807 3.180 20 0 GGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000668268890 567805059 /nfs/dbraw/zinc/80/50/59/567805059.db2.gz OGKJUAKAEAMWIS-MNOVXSKESA-N -1 3 380.329 3.055 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)c1ccccc1 ZINC000647886163 567805094 /nfs/dbraw/zinc/80/50/94/567805094.db2.gz DPWXJGHTHMJFDZ-UHFFFAOYSA-N -1 3 388.308 3.450 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000534241756 567805164 /nfs/dbraw/zinc/80/51/64/567805164.db2.gz LTMHZWDSTOTCGR-VIFPVBQESA-N -1 3 397.913 3.184 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000534242948 567805243 /nfs/dbraw/zinc/80/52/43/567805243.db2.gz MJAAAHUGUSJJCM-ZETCQYMHSA-N -1 3 382.795 3.079 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000647895823 567805903 /nfs/dbraw/zinc/80/59/03/567805903.db2.gz KLQAEGSOSNDIEL-SSDOTTSWSA-N -1 3 385.314 3.069 20 0 GGADHM CN(CCCn1ccnc1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000574966509 567806217 /nfs/dbraw/zinc/80/62/17/567806217.db2.gz NHKLZGUDPMDWHW-UHFFFAOYSA-N -1 3 389.253 3.062 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)CC(F)(F)F ZINC000668311401 567806494 /nfs/dbraw/zinc/80/64/94/567806494.db2.gz IQROGPOWPXNFCN-MWLCHTKSSA-N -1 3 386.461 3.202 20 0 GGADHM COc1cc(Cl)c(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)cc1OC ZINC000444468296 567806444 /nfs/dbraw/zinc/80/64/44/567806444.db2.gz UCZCIIXUNLVRNZ-UHFFFAOYSA-N -1 3 379.829 3.160 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CS[C@H](C)C1 ZINC000668305926 567806609 /nfs/dbraw/zinc/80/66/09/567806609.db2.gz BXSJQJHLUPYGFV-MWLCHTKSSA-N -1 3 380.329 3.020 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000444514573 567806618 /nfs/dbraw/zinc/80/66/18/567806618.db2.gz MVZXFCVBERJEMD-XHDPSFHLSA-N -1 3 376.906 3.030 20 0 GGADHM Cc1ccoc1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000668324344 567807176 /nfs/dbraw/zinc/80/71/76/567807176.db2.gz RDMWEILWAJSKNJ-UHFFFAOYSA-N -1 3 376.356 3.160 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)nc1C ZINC000534310959 567807494 /nfs/dbraw/zinc/80/74/94/567807494.db2.gz FEMMMFWFZKXWSC-QGZVFWFLSA-N -1 3 379.482 3.480 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575003066 567807834 /nfs/dbraw/zinc/80/78/34/567807834.db2.gz CDACWPRMHUPBCY-RYUDHWBXSA-N -1 3 391.320 3.205 20 0 GGADHM O=C(NCC(F)(F)F)C1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000534342250 567808370 /nfs/dbraw/zinc/80/83/70/567808370.db2.gz ZDNPDCKTGUXOEO-UHFFFAOYSA-N -1 3 395.219 3.045 20 0 GGADHM C[C@H]1CCC[C@H]1CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000534453213 567812319 /nfs/dbraw/zinc/81/23/19/567812319.db2.gz YWSBOSJXTGTTEF-QWRGUYRKSA-N -1 3 378.416 3.243 20 0 GGADHM O=C(NCc1ccccc1)[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000648066584 567812553 /nfs/dbraw/zinc/81/25/53/567812553.db2.gz LJDCETLDFKRMII-MRXNPFEDSA-N -1 3 389.293 3.293 20 0 GGADHM CN1Cc2ccccc2[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000534537927 567813821 /nfs/dbraw/zinc/81/38/21/567813821.db2.gz PWQIKJFAPJBQAK-MRXNPFEDSA-N -1 3 390.281 3.141 20 0 GGADHM O=C(CCCn1c(=O)oc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000534528722 567813944 /nfs/dbraw/zinc/81/39/44/567813944.db2.gz BNAKHQIFVHPBBC-UHFFFAOYSA-N -1 3 391.221 3.482 20 0 GGADHM COc1ccc2oc([C@@H](C)NC(=O)c3nnc4ccccc4c3[O-])c(C)c2c1 ZINC000111614597 570218440 /nfs/dbraw/zinc/21/84/40/570218440.db2.gz VTUMJWRTGMVLFY-GFCCVEGCSA-N -1 3 377.400 3.477 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000048230326 570223559 /nfs/dbraw/zinc/22/35/59/570223559.db2.gz LCHXPXKJXTXLMQ-KBPBESRZSA-N -1 3 394.468 3.249 20 0 GGADHM Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)c1 ZINC000010720976 570287198 /nfs/dbraw/zinc/28/71/98/570287198.db2.gz XJIQVQBPEOWUFX-UHFFFAOYSA-N -1 3 385.489 3.454 20 0 GGADHM CCCOc1ccc(OCCOC(=O)c2cccc([N-]S(C)(=O)=O)c2)cc1 ZINC000022617830 570323481 /nfs/dbraw/zinc/32/34/81/570323481.db2.gz YAHOIQQLBOLGKM-UHFFFAOYSA-N -1 3 393.461 3.083 20 0 GGADHM COc1ccccc1CCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000024761498 570392014 /nfs/dbraw/zinc/39/20/14/570392014.db2.gz BCVILRLMHOZSOA-UHFFFAOYSA-N -1 3 382.460 3.211 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)on1 ZINC000011003273 570424117 /nfs/dbraw/zinc/42/41/17/570424117.db2.gz MPMJGTSZANNOGZ-ZDUSSCGKSA-N -1 3 397.387 3.321 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000008746177 570539955 /nfs/dbraw/zinc/53/99/55/570539955.db2.gz ZSUUDNSVQUUJMN-MRXNPFEDSA-N -1 3 397.834 3.420 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000008746375 570540356 /nfs/dbraw/zinc/54/03/56/570540356.db2.gz QITLCLVASCWZLY-INIZCTEOSA-N -1 3 397.834 3.420 20 0 GGADHM Cc1cc2occ(CC(=O)Nc3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)c2cc1C ZINC000040118488 570553362 /nfs/dbraw/zinc/55/33/62/570553362.db2.gz RPURAVDDOZRRRL-QFIPXVFZSA-N -1 3 391.427 3.285 20 0 GGADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc2ccccc2cc1[O-] ZINC000032970857 570554797 /nfs/dbraw/zinc/55/47/97/570554797.db2.gz MLPIDDFBXRECJK-FQEVSTJZSA-N -1 3 376.456 3.176 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)[n-]1 ZINC000225530695 570584398 /nfs/dbraw/zinc/58/43/98/570584398.db2.gz UJQGTFPHEMQEJF-SNVBAGLBSA-N -1 3 396.900 3.206 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)n[n-]1 ZINC000225530695 570584402 /nfs/dbraw/zinc/58/44/02/570584402.db2.gz UJQGTFPHEMQEJF-SNVBAGLBSA-N -1 3 396.900 3.206 20 0 GGADHM CCc1cccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)c1 ZINC000036350714 570633908 /nfs/dbraw/zinc/63/39/08/570633908.db2.gz NQCFVMITNWNLBR-SFHVURJKSA-N -1 3 378.469 3.330 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1OC ZINC000058224983 570721863 /nfs/dbraw/zinc/72/18/63/570721863.db2.gz GKOMPLOENXZGLY-UHFFFAOYSA-N -1 3 376.478 3.373 20 0 GGADHM CCc1sc(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C ZINC000007025887 570742513 /nfs/dbraw/zinc/74/25/13/570742513.db2.gz IMCIQYVUYXIYHL-LBPRGKRZSA-N -1 3 395.502 3.419 20 0 GGADHM OCc1nnc(Sc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)[n-]1 ZINC000170088690 570804702 /nfs/dbraw/zinc/80/47/02/570804702.db2.gz BKGXYPOMKARKES-UHFFFAOYSA-N -1 3 396.501 3.394 20 0 GGADHM OCc1nc(Sc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)n[n-]1 ZINC000170088690 570804703 /nfs/dbraw/zinc/80/47/03/570804703.db2.gz BKGXYPOMKARKES-UHFFFAOYSA-N -1 3 396.501 3.394 20 0 GGADHM COc1cc(CNC(=O)c2ccc3n[n-]nc3c2)ccc1OCc1ccccc1 ZINC000012507432 570823251 /nfs/dbraw/zinc/82/32/51/570823251.db2.gz PCXSDIKRRUSLNP-UHFFFAOYSA-N -1 3 388.427 3.476 20 0 GGADHM Cc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)nn1-c1ccc(F)cc1 ZINC000032810633 570833773 /nfs/dbraw/zinc/83/37/73/570833773.db2.gz SANOGDAITREVBR-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM O=C(c1ccc2c(c1)OCO2)N(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1 ZINC000065666680 570848575 /nfs/dbraw/zinc/84/85/75/570848575.db2.gz OJFZADDNPYBJII-UHFFFAOYSA-N -1 3 397.408 3.157 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000170626773 570883854 /nfs/dbraw/zinc/88/38/54/570883854.db2.gz MXGJRMVBJONYPZ-AWEZNQCLSA-N -1 3 381.501 3.491 20 0 GGADHM CCCN(CC(=O)Nc1cccc(Cl)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000010088293 570891936 /nfs/dbraw/zinc/89/19/36/570891936.db2.gz VMDDNZCHTLZKCE-UHFFFAOYSA-N -1 3 390.896 3.489 20 0 GGADHM O=C(c1cc2c(cccc2F)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000032913587 570918777 /nfs/dbraw/zinc/91/87/77/570918777.db2.gz KVFYJFKIXQOULY-UHFFFAOYSA-N -1 3 384.432 3.344 20 0 GGADHM O=C(NCCNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc([O-])cc1 ZINC000047545199 570964147 /nfs/dbraw/zinc/96/41/47/570964147.db2.gz FNTWXVJEVFOFGI-UHFFFAOYSA-N -1 3 388.423 3.176 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](CCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000054574148 570973402 /nfs/dbraw/zinc/97/34/02/570973402.db2.gz ADAMCXGRDCKZBB-OAQYLSRUSA-N -1 3 375.472 3.420 20 0 GGADHM COc1cc2nc(-c3cc(Cl)c4c(c3)OCCCO4)[n-]c(=O)c2cc1OC ZINC000083925409 570980473 /nfs/dbraw/zinc/98/04/73/570980473.db2.gz NQHOCIQROAVNEA-UHFFFAOYSA-N -1 3 388.807 3.422 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000083996778 570989872 /nfs/dbraw/zinc/98/98/72/570989872.db2.gz UUTSDTVIWZBGLM-INIZCTEOSA-N -1 3 379.382 3.312 20 0 GGADHM COc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1Cl ZINC000194887515 571027153 /nfs/dbraw/zinc/02/71/53/571027153.db2.gz BAGYEFQOXHPHOB-UHFFFAOYSA-N -1 3 398.850 3.374 20 0 GGADHM Ic1ccc(CSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822796267 599383550 /nfs/dbraw/zinc/38/35/50/599383550.db2.gz OHXPXYNOQLNDDC-UHFFFAOYSA-N -1 3 395.229 3.159 20 0 GGADHM Cc1ccc(C[C@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335174 598824908 /nfs/dbraw/zinc/82/49/08/598824908.db2.gz QTEXTDSBOVMVQT-HXUWFJFHSA-N -1 3 375.476 3.341 20 0 GGADHM Cc1ccc(C[C@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335174 598824909 /nfs/dbraw/zinc/82/49/09/598824909.db2.gz QTEXTDSBOVMVQT-HXUWFJFHSA-N -1 3 375.476 3.341 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H]3CCOC3)c2-c2nnn[n-]2)C1 ZINC000735595642 598828373 /nfs/dbraw/zinc/82/83/73/598828373.db2.gz GYFCHDDZJBPIQH-RYUDHWBXSA-N -1 3 389.525 3.444 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H]3CCOC3)c2-c2nn[n-]n2)C1 ZINC000735595642 598828375 /nfs/dbraw/zinc/82/83/75/598828375.db2.gz GYFCHDDZJBPIQH-RYUDHWBXSA-N -1 3 389.525 3.444 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(Br)c1 ZINC000737525488 598828487 /nfs/dbraw/zinc/82/84/87/598828487.db2.gz RDJJEFPQCGAMGS-UHFFFAOYSA-N -1 3 396.252 3.244 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(Br)c1 ZINC000737525488 598828488 /nfs/dbraw/zinc/82/84/88/598828488.db2.gz RDJJEFPQCGAMGS-UHFFFAOYSA-N -1 3 396.252 3.244 20 0 GGADHM Cc1cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(C)[nH]1 ZINC000737236221 598836238 /nfs/dbraw/zinc/83/62/38/598836238.db2.gz GLIIRRDDHGPRIY-UHFFFAOYSA-N -1 3 378.461 3.470 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H](C)OCCC(C)C)c1C ZINC000737503602 598840254 /nfs/dbraw/zinc/84/02/54/598840254.db2.gz PZGONOQHDKYDLB-HNNXBMFYSA-N -1 3 397.483 3.059 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(Cl)o2)c1C ZINC000737503266 598840376 /nfs/dbraw/zinc/84/03/76/598840376.db2.gz GJLLIHCMUIZXLT-UHFFFAOYSA-N -1 3 383.799 3.168 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cccc(F)c2F)c1C ZINC000737504290 598840822 /nfs/dbraw/zinc/84/08/22/598840822.db2.gz ROFBSQVVAXFKEI-UHFFFAOYSA-N -1 3 395.373 3.200 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ncoc2C(C)C)c1C ZINC000737504353 598840874 /nfs/dbraw/zinc/84/08/74/598840874.db2.gz UZRTVGGKOKTYEE-UHFFFAOYSA-N -1 3 392.423 3.033 20 0 GGADHM CC[C@@H](Nc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736371563 598844794 /nfs/dbraw/zinc/84/47/94/598844794.db2.gz WLWYPCRDYBTZRW-MRXNPFEDSA-N -1 3 376.420 3.053 20 0 GGADHM CC[C@@H](Nc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736371563 598844795 /nfs/dbraw/zinc/84/47/95/598844795.db2.gz WLWYPCRDYBTZRW-MRXNPFEDSA-N -1 3 376.420 3.053 20 0 GGADHM C[C@H](CC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735978792 598846271 /nfs/dbraw/zinc/84/62/71/598846271.db2.gz ZJTNKRRAIZTRPO-CYBMUJFWSA-N -1 3 379.395 3.496 20 0 GGADHM C[C@H](CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735978792 598846273 /nfs/dbraw/zinc/84/62/73/598846273.db2.gz ZJTNKRRAIZTRPO-CYBMUJFWSA-N -1 3 379.395 3.496 20 0 GGADHM CCc1cc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)no1 ZINC000736677491 598849710 /nfs/dbraw/zinc/84/97/10/598849710.db2.gz LNOZTZRHNLGITL-UHFFFAOYSA-N -1 3 390.403 3.248 20 0 GGADHM CCc1cc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)no1 ZINC000736677491 598849712 /nfs/dbraw/zinc/84/97/12/598849712.db2.gz LNOZTZRHNLGITL-UHFFFAOYSA-N -1 3 390.403 3.248 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736604611 598850366 /nfs/dbraw/zinc/85/03/66/598850366.db2.gz ZSSZXNUYBWPROY-UHFFFAOYSA-N -1 3 381.396 3.388 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736604611 598850368 /nfs/dbraw/zinc/85/03/68/598850368.db2.gz ZSSZXNUYBWPROY-UHFFFAOYSA-N -1 3 381.396 3.388 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CNC1(c2ccccc2)CCC1 ZINC000737523787 598851469 /nfs/dbraw/zinc/85/14/69/598851469.db2.gz IWVZRKLJKGPJLY-UHFFFAOYSA-N -1 3 386.463 3.060 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CNC1(c2ccccc2)CCC1 ZINC000737523787 598851471 /nfs/dbraw/zinc/85/14/71/598851471.db2.gz IWVZRKLJKGPJLY-UHFFFAOYSA-N -1 3 386.463 3.060 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000737064191 598851614 /nfs/dbraw/zinc/85/16/14/598851614.db2.gz VYVQKRQMRAGLFQ-QGZVFWFLSA-N -1 3 392.463 3.423 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000737064191 598851616 /nfs/dbraw/zinc/85/16/16/598851616.db2.gz VYVQKRQMRAGLFQ-QGZVFWFLSA-N -1 3 392.463 3.423 20 0 GGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736228209 598854153 /nfs/dbraw/zinc/85/41/53/598854153.db2.gz GZBYPSHFYNNPHD-OAQYLSRUSA-N -1 3 394.454 3.269 20 0 GGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736228209 598854155 /nfs/dbraw/zinc/85/41/55/598854155.db2.gz GZBYPSHFYNNPHD-OAQYLSRUSA-N -1 3 394.454 3.269 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCc3c(Cl)cccc3C2)n1 ZINC000737633265 598854959 /nfs/dbraw/zinc/85/49/59/598854959.db2.gz PSYPWAWYZAJLKS-UHFFFAOYSA-N -1 3 380.761 3.497 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCc3c(Cl)cccc3C2)n1 ZINC000737633265 598854960 /nfs/dbraw/zinc/85/49/60/598854960.db2.gz PSYPWAWYZAJLKS-UHFFFAOYSA-N -1 3 380.761 3.497 20 0 GGADHM Cc1occc1COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737556956 598857349 /nfs/dbraw/zinc/85/73/49/598857349.db2.gz PRIYXVBRHHNKLK-UHFFFAOYSA-N -1 3 380.360 3.297 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cccc2ccccc21 ZINC000736900767 598859622 /nfs/dbraw/zinc/85/96/22/598859622.db2.gz FWNFTGZGCAKTAH-FQEVSTJZSA-N -1 3 387.443 3.366 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cccc2ccccc21 ZINC000736900767 598859624 /nfs/dbraw/zinc/85/96/24/598859624.db2.gz FWNFTGZGCAKTAH-FQEVSTJZSA-N -1 3 387.443 3.366 20 0 GGADHM COC(=O)[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895461 598861666 /nfs/dbraw/zinc/86/16/66/598861666.db2.gz JSEDCFONDBXCMN-OALUTQOASA-N -1 3 395.438 3.351 20 0 GGADHM COC(=O)[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895461 598861667 /nfs/dbraw/zinc/86/16/67/598861667.db2.gz JSEDCFONDBXCMN-OALUTQOASA-N -1 3 395.438 3.351 20 0 GGADHM CCc1ccc([C@H]2CCCN2[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736687230 598863451 /nfs/dbraw/zinc/86/34/51/598863451.db2.gz RPWBVYKMUXYAAX-SJLPKXTDSA-N -1 3 381.436 3.073 20 0 GGADHM CCc1ccc([C@H]2CCCN2[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736687230 598863452 /nfs/dbraw/zinc/86/34/52/598863452.db2.gz RPWBVYKMUXYAAX-SJLPKXTDSA-N -1 3 381.436 3.073 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCC1 ZINC000736122336 598865311 /nfs/dbraw/zinc/86/53/11/598865311.db2.gz ISOPXIOAPPUBLB-CYBMUJFWSA-N -1 3 378.436 3.363 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCC1 ZINC000736122336 598865312 /nfs/dbraw/zinc/86/53/12/598865312.db2.gz ISOPXIOAPPUBLB-CYBMUJFWSA-N -1 3 378.436 3.363 20 0 GGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737318566 598867515 /nfs/dbraw/zinc/86/75/15/598867515.db2.gz WGWVVEXLSZCFIQ-UHFFFAOYSA-N -1 3 376.413 3.205 20 0 GGADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737318566 598867517 /nfs/dbraw/zinc/86/75/17/598867517.db2.gz WGWVVEXLSZCFIQ-UHFFFAOYSA-N -1 3 376.413 3.205 20 0 GGADHM C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736204988 598870263 /nfs/dbraw/zinc/87/02/63/598870263.db2.gz UYUUXHKYXXJXBK-SNVBAGLBSA-N -1 3 395.847 3.041 20 0 GGADHM C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736204988 598870265 /nfs/dbraw/zinc/87/02/65/598870265.db2.gz UYUUXHKYXXJXBK-SNVBAGLBSA-N -1 3 395.847 3.041 20 0 GGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738076289 598877386 /nfs/dbraw/zinc/87/73/86/598877386.db2.gz QTIGBTYDDCNTGV-LJQANCHMSA-N -1 3 392.463 3.473 20 0 GGADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738076289 598877388 /nfs/dbraw/zinc/87/73/88/598877388.db2.gz QTIGBTYDDCNTGV-LJQANCHMSA-N -1 3 392.463 3.473 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899796 598878948 /nfs/dbraw/zinc/87/89/48/598878948.db2.gz ZXYFPXZMIIMTCS-VLIAUNLRSA-N -1 3 391.475 3.310 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899796 598878949 /nfs/dbraw/zinc/87/89/49/598878949.db2.gz ZXYFPXZMIIMTCS-VLIAUNLRSA-N -1 3 391.475 3.310 20 0 GGADHM COC(=O)[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897579 598880131 /nfs/dbraw/zinc/88/01/31/598880131.db2.gz SGJJTUYFBONNNY-HZPDHXFCSA-N -1 3 399.451 3.047 20 0 GGADHM COC(=O)[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897579 598880132 /nfs/dbraw/zinc/88/01/32/598880132.db2.gz SGJJTUYFBONNNY-HZPDHXFCSA-N -1 3 399.451 3.047 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000736037208 598880859 /nfs/dbraw/zinc/88/08/59/598880859.db2.gz KHXKEVGFOJWWAH-BUBBNXEVSA-N -1 3 382.464 3.394 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000736037208 598880861 /nfs/dbraw/zinc/88/08/61/598880861.db2.gz KHXKEVGFOJWWAH-BUBBNXEVSA-N -1 3 382.464 3.394 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(Cl)c(Cl)n1C ZINC000736037100 598882762 /nfs/dbraw/zinc/88/27/62/598882762.db2.gz DORWNZAAIIZDSR-SECBINFHSA-N -1 3 396.234 3.136 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(Cl)c(Cl)n1C ZINC000736037100 598882764 /nfs/dbraw/zinc/88/27/64/598882764.db2.gz DORWNZAAIIZDSR-SECBINFHSA-N -1 3 396.234 3.136 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896251 598882969 /nfs/dbraw/zinc/88/29/69/598882969.db2.gz HKCFONNQEHLRHB-IBGZPJMESA-N -1 3 393.447 3.120 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896251 598882970 /nfs/dbraw/zinc/88/29/70/598882970.db2.gz HKCFONNQEHLRHB-IBGZPJMESA-N -1 3 393.447 3.120 20 0 GGADHM COC(=O)[C@@H](NCCC(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893312 598882996 /nfs/dbraw/zinc/88/29/96/598882996.db2.gz CIBXBLOSYQEZTJ-SFHVURJKSA-N -1 3 379.464 3.038 20 0 GGADHM COC(=O)[C@@H](NCCC(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893312 598882997 /nfs/dbraw/zinc/88/29/97/598882997.db2.gz CIBXBLOSYQEZTJ-SFHVURJKSA-N -1 3 379.464 3.038 20 0 GGADHM Cc1[nH]c2ccccc2c1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737200995 598883844 /nfs/dbraw/zinc/88/38/44/598883844.db2.gz WZWJUTQIBPWISR-GFCCVEGCSA-N -1 3 377.404 3.281 20 0 GGADHM Cc1[nH]c2ccccc2c1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737200995 598883846 /nfs/dbraw/zinc/88/38/46/598883846.db2.gz WZWJUTQIBPWISR-GFCCVEGCSA-N -1 3 377.404 3.281 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1sccc1OC(F)F ZINC000736039734 598884425 /nfs/dbraw/zinc/88/44/25/598884425.db2.gz KUOOHONWVLFTJW-VIFPVBQESA-N -1 3 396.375 3.154 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1sccc1OC(F)F ZINC000736039734 598884427 /nfs/dbraw/zinc/88/44/27/598884427.db2.gz KUOOHONWVLFTJW-VIFPVBQESA-N -1 3 396.375 3.154 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1cc2ccccc2o1 ZINC000736037183 598887242 /nfs/dbraw/zinc/88/72/42/598887242.db2.gz KCAMSRFGGLMBST-CYBMUJFWSA-N -1 3 378.388 3.166 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1cc2ccccc2o1 ZINC000736037183 598887243 /nfs/dbraw/zinc/88/72/43/598887243.db2.gz KCAMSRFGGLMBST-CYBMUJFWSA-N -1 3 378.388 3.166 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000735659557 598888520 /nfs/dbraw/zinc/88/85/20/598888520.db2.gz CRFFZAHARDCEBC-UHFFFAOYSA-N -1 3 383.431 3.373 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000735659557 598888522 /nfs/dbraw/zinc/88/85/22/598888522.db2.gz CRFFZAHARDCEBC-UHFFFAOYSA-N -1 3 383.431 3.373 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CSc1ccc(F)cc1 ZINC000736037908 598889083 /nfs/dbraw/zinc/88/90/83/598889083.db2.gz QQRUKGGAEMLKTK-GFCCVEGCSA-N -1 3 388.424 3.109 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CSc1ccc(F)cc1 ZINC000736037908 598889085 /nfs/dbraw/zinc/88/90/85/598889085.db2.gz QQRUKGGAEMLKTK-GFCCVEGCSA-N -1 3 388.424 3.109 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000738151602 598889774 /nfs/dbraw/zinc/88/97/74/598889774.db2.gz MTUJVORADCOFCM-HNNXBMFYSA-N -1 3 397.414 3.241 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000738151602 598889776 /nfs/dbraw/zinc/88/97/76/598889776.db2.gz MTUJVORADCOFCM-HNNXBMFYSA-N -1 3 397.414 3.241 20 0 GGADHM CSC[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737176660 598890766 /nfs/dbraw/zinc/89/07/66/598890766.db2.gz PAYJCVSVAKLQOL-LLVKDONJSA-N -1 3 388.522 3.146 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900985 598893536 /nfs/dbraw/zinc/89/35/36/598893536.db2.gz VQBOJZPAIMVWEV-SFHVURJKSA-N -1 3 388.383 3.091 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900985 598893537 /nfs/dbraw/zinc/89/35/37/598893537.db2.gz VQBOJZPAIMVWEV-SFHVURJKSA-N -1 3 388.383 3.091 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899609 598894951 /nfs/dbraw/zinc/89/49/51/598894951.db2.gz PMACJGPHYJIMRT-SFHVURJKSA-N -1 3 388.383 3.091 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899609 598894953 /nfs/dbraw/zinc/89/49/53/598894953.db2.gz PMACJGPHYJIMRT-SFHVURJKSA-N -1 3 388.383 3.091 20 0 GGADHM CCSc1ccccc1C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736666558 598895814 /nfs/dbraw/zinc/89/58/14/598895814.db2.gz LNAJKFWTRFMIIV-MRXNPFEDSA-N -1 3 398.444 3.050 20 0 GGADHM CCSc1ccccc1C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736666558 598895815 /nfs/dbraw/zinc/89/58/15/598895815.db2.gz LNAJKFWTRFMIIV-MRXNPFEDSA-N -1 3 398.444 3.050 20 0 GGADHM CCN(CC)C(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736520652 598901731 /nfs/dbraw/zinc/90/17/31/598901731.db2.gz AOOUPSRJYVFHHR-ZDUSSCGKSA-N -1 3 382.493 3.278 20 0 GGADHM CCN(CC)C(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736520652 598901733 /nfs/dbraw/zinc/90/17/33/598901733.db2.gz AOOUPSRJYVFHHR-ZDUSSCGKSA-N -1 3 382.493 3.278 20 0 GGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)N1CCCCC1 ZINC000737954226 598903128 /nfs/dbraw/zinc/90/31/28/598903128.db2.gz VDRXWYLDVQRPMM-UHFFFAOYSA-N -1 3 380.477 3.033 20 0 GGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)N1CCCCC1 ZINC000737954226 598903129 /nfs/dbraw/zinc/90/31/29/598903129.db2.gz VDRXWYLDVQRPMM-UHFFFAOYSA-N -1 3 380.477 3.033 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111771 598903607 /nfs/dbraw/zinc/90/36/07/598903607.db2.gz OLVZMJQOVFVGEE-VIFPVBQESA-N -1 3 392.282 3.111 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111771 598903608 /nfs/dbraw/zinc/90/36/08/598903608.db2.gz OLVZMJQOVFVGEE-VIFPVBQESA-N -1 3 392.282 3.111 20 0 GGADHM CC1CCN(c2cccc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000736281765 598904693 /nfs/dbraw/zinc/90/46/93/598904693.db2.gz WKTWHOGUJYCZCT-UHFFFAOYSA-N -1 3 391.479 3.425 20 0 GGADHM CC1CCN(c2cccc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000736281765 598904695 /nfs/dbraw/zinc/90/46/95/598904695.db2.gz WKTWHOGUJYCZCT-UHFFFAOYSA-N -1 3 391.479 3.425 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1cc2ccccc2o1 ZINC000736635481 598905175 /nfs/dbraw/zinc/90/51/75/598905175.db2.gz UWMLKSLZYAJMME-UHFFFAOYSA-N -1 3 392.419 3.376 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1cc2ccccc2o1 ZINC000736635481 598905176 /nfs/dbraw/zinc/90/51/76/598905176.db2.gz UWMLKSLZYAJMME-UHFFFAOYSA-N -1 3 392.419 3.376 20 0 GGADHM C[C@@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736267587 598907657 /nfs/dbraw/zinc/90/76/57/598907657.db2.gz ORIIFHRLFLHYKF-CQSZACIVSA-N -1 3 381.436 3.443 20 0 GGADHM C[C@@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736267587 598907662 /nfs/dbraw/zinc/90/76/62/598907662.db2.gz ORIIFHRLFLHYKF-CQSZACIVSA-N -1 3 381.436 3.443 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc(F)nc1 ZINC000738182318 598906713 /nfs/dbraw/zinc/90/67/13/598906713.db2.gz CWELOGNBIJPEDW-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4cc(F)ccc4O3)c2-c2nnn[n-]2)C1 ZINC000736278559 598911234 /nfs/dbraw/zinc/91/12/34/598911234.db2.gz HBFKJNLYZDOZPY-XPTSAGLGSA-N -1 3 399.451 3.134 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4cc(F)ccc4O3)c2-c2nn[n-]n2)C1 ZINC000736278559 598911235 /nfs/dbraw/zinc/91/12/35/598911235.db2.gz HBFKJNLYZDOZPY-XPTSAGLGSA-N -1 3 399.451 3.134 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737188953 598911559 /nfs/dbraw/zinc/91/15/59/598911559.db2.gz ALUPEHSYQGLFRM-OLZOCXBDSA-N -1 3 383.477 3.233 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737188953 598911562 /nfs/dbraw/zinc/91/15/62/598911562.db2.gz ALUPEHSYQGLFRM-OLZOCXBDSA-N -1 3 383.477 3.233 20 0 GGADHM CC[C@@H](OC)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736382123 598912359 /nfs/dbraw/zinc/91/23/59/598912359.db2.gz KOCCZXUHCVJIFT-QGZVFWFLSA-N -1 3 385.855 3.478 20 0 GGADHM CC[C@@H](OC)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736382123 598912360 /nfs/dbraw/zinc/91/23/60/598912360.db2.gz KOCCZXUHCVJIFT-QGZVFWFLSA-N -1 3 385.855 3.478 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000737057048 598912580 /nfs/dbraw/zinc/91/25/80/598912580.db2.gz GFRBVABMAQXJQV-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000737057048 598912582 /nfs/dbraw/zinc/91/25/82/598912582.db2.gz GFRBVABMAQXJQV-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000736143964 598915280 /nfs/dbraw/zinc/91/52/80/598915280.db2.gz VXRMQCHKWAWZHR-MRXNPFEDSA-N -1 3 399.323 3.483 20 0 GGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000736143964 598915282 /nfs/dbraw/zinc/91/52/82/598915282.db2.gz VXRMQCHKWAWZHR-MRXNPFEDSA-N -1 3 399.323 3.483 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736349361 598922993 /nfs/dbraw/zinc/92/29/93/598922993.db2.gz FWPRNAJTVGOSPG-LBPRGKRZSA-N -1 3 377.470 3.016 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736349361 598922995 /nfs/dbraw/zinc/92/29/95/598922995.db2.gz FWPRNAJTVGOSPG-LBPRGKRZSA-N -1 3 377.470 3.016 20 0 GGADHM CC[C@@H](CC1CCCCC1)C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736352702 598923105 /nfs/dbraw/zinc/92/31/05/598923105.db2.gz XYZOYDRDKPLPRC-KRWDZBQOSA-N -1 3 399.495 3.023 20 0 GGADHM CC[C@@H](CC1CCCCC1)C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736352702 598923108 /nfs/dbraw/zinc/92/31/08/598923108.db2.gz XYZOYDRDKPLPRC-KRWDZBQOSA-N -1 3 399.495 3.023 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737332991 598925187 /nfs/dbraw/zinc/92/51/87/598925187.db2.gz ZLOUEGIEQWEEOE-LPHOPBHVSA-N -1 3 378.432 3.433 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737332991 598925189 /nfs/dbraw/zinc/92/51/89/598925189.db2.gz ZLOUEGIEQWEEOE-LPHOPBHVSA-N -1 3 378.432 3.433 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000736182562 598928733 /nfs/dbraw/zinc/92/87/33/598928733.db2.gz GQQPLLCLIGPVDP-NWDGAFQWSA-N -1 3 394.460 3.121 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000736182562 598928736 /nfs/dbraw/zinc/92/87/36/598928736.db2.gz GQQPLLCLIGPVDP-NWDGAFQWSA-N -1 3 394.460 3.121 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1cc2ccccc2o1 ZINC000738036279 598931643 /nfs/dbraw/zinc/93/16/43/598931643.db2.gz QCTMAVLYUVLSCD-UHFFFAOYSA-N -1 3 388.431 3.012 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1cc2ccccc2o1 ZINC000738036279 598931644 /nfs/dbraw/zinc/93/16/44/598931644.db2.gz QCTMAVLYUVLSCD-UHFFFAOYSA-N -1 3 388.431 3.012 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000735906369 598932856 /nfs/dbraw/zinc/93/28/56/598932856.db2.gz TTXGLWKNEVRPJS-RYUDHWBXSA-N -1 3 376.486 3.012 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000735906369 598932858 /nfs/dbraw/zinc/93/28/58/598932858.db2.gz TTXGLWKNEVRPJS-RYUDHWBXSA-N -1 3 376.486 3.012 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)cc1C(C)=O ZINC000737032520 598936003 /nfs/dbraw/zinc/93/60/03/598936003.db2.gz MLBGESPYRWXAAT-UHFFFAOYSA-N -1 3 388.811 3.189 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)cc1C(C)=O ZINC000737032520 598936006 /nfs/dbraw/zinc/93/60/06/598936006.db2.gz MLBGESPYRWXAAT-UHFFFAOYSA-N -1 3 388.811 3.189 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(NC(C)=O)cc1 ZINC000737033038 598938146 /nfs/dbraw/zinc/93/81/46/598938146.db2.gz REMOAUFLBXRONF-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(NC(C)=O)cc1 ZINC000737033038 598938148 /nfs/dbraw/zinc/93/81/48/598938148.db2.gz REMOAUFLBXRONF-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM COc1ccc(SCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000365477270 598938814 /nfs/dbraw/zinc/93/88/14/598938814.db2.gz HNWZYQWUZLUEDS-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM COc1ccc(SCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000365477270 598938817 /nfs/dbraw/zinc/93/88/17/598938817.db2.gz HNWZYQWUZLUEDS-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM C[C@@H](c1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1)N1CCOCC1 ZINC000736200150 598940863 /nfs/dbraw/zinc/94/08/63/598940863.db2.gz SBDWTKFRXAJSHX-LBPRGKRZSA-N -1 3 385.859 3.052 20 0 GGADHM CCc1ccccc1CNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736695053 598941201 /nfs/dbraw/zinc/94/12/01/598941201.db2.gz HKZXXSMKGGJXQQ-LJQANCHMSA-N -1 3 379.464 3.149 20 0 GGADHM CCc1ccccc1CNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736695053 598941203 /nfs/dbraw/zinc/94/12/03/598941203.db2.gz HKZXXSMKGGJXQQ-LJQANCHMSA-N -1 3 379.464 3.149 20 0 GGADHM CC[C@H]1CCC[C@H](NC(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000736397021 598942538 /nfs/dbraw/zinc/94/25/38/598942538.db2.gz QKCCZIRUZCXOAP-HOCLYGCPSA-N -1 3 387.484 3.119 20 0 GGADHM CC[C@H]1CCC[C@H](NC(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736397021 598942539 /nfs/dbraw/zinc/94/25/39/598942539.db2.gz QKCCZIRUZCXOAP-HOCLYGCPSA-N -1 3 387.484 3.119 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)c1cccc2ccccc21 ZINC000737300075 598948927 /nfs/dbraw/zinc/94/89/27/598948927.db2.gz WBGJKPSMTTWNFU-CQSZACIVSA-N -1 3 393.472 3.368 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)c1cccc2ccccc21 ZINC000737300075 598948929 /nfs/dbraw/zinc/94/89/29/598948929.db2.gz WBGJKPSMTTWNFU-CQSZACIVSA-N -1 3 393.472 3.368 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000737297767 598950027 /nfs/dbraw/zinc/95/00/27/598950027.db2.gz ZQMGPMMIKKGOIR-CYBMUJFWSA-N -1 3 397.460 3.303 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000737297767 598950029 /nfs/dbraw/zinc/95/00/29/598950029.db2.gz ZQMGPMMIKKGOIR-CYBMUJFWSA-N -1 3 397.460 3.303 20 0 GGADHM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737331022 598950761 /nfs/dbraw/zinc/95/07/61/598950761.db2.gz LKVLKBJWZNPMNG-KRWDZBQOSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737331022 598950763 /nfs/dbraw/zinc/95/07/63/598950763.db2.gz LKVLKBJWZNPMNG-KRWDZBQOSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000737298472 598953697 /nfs/dbraw/zinc/95/36/97/598953697.db2.gz KPUOCMDNNRFSOY-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000737298472 598953698 /nfs/dbraw/zinc/95/36/98/598953698.db2.gz KPUOCMDNNRFSOY-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736226198 598951473 /nfs/dbraw/zinc/95/14/73/598951473.db2.gz GHKVYSXPDPSMJB-HUUCEWRRSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736226198 598951474 /nfs/dbraw/zinc/95/14/74/598951474.db2.gz GHKVYSXPDPSMJB-HUUCEWRRSA-N -1 3 377.448 3.316 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736396701 598954121 /nfs/dbraw/zinc/95/41/21/598954121.db2.gz NRSBWLXTKGEYLS-QGZVFWFLSA-N -1 3 385.493 3.337 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736396701 598954123 /nfs/dbraw/zinc/95/41/23/598954123.db2.gz NRSBWLXTKGEYLS-QGZVFWFLSA-N -1 3 385.493 3.337 20 0 GGADHM Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737424098 598954136 /nfs/dbraw/zinc/95/41/36/598954136.db2.gz RRWNAHLOZZBHKK-KRWDZBQOSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737424098 598954137 /nfs/dbraw/zinc/95/41/37/598954137.db2.gz RRWNAHLOZZBHKK-KRWDZBQOSA-N -1 3 383.477 3.009 20 0 GGADHM CC(C)COc1cccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000735845352 598960246 /nfs/dbraw/zinc/96/02/46/598960246.db2.gz XAYYUJPFVCRQDI-IBGZPJMESA-N -1 3 392.463 3.119 20 0 GGADHM CC(C)COc1cccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000735845352 598960247 /nfs/dbraw/zinc/96/02/47/598960247.db2.gz XAYYUJPFVCRQDI-IBGZPJMESA-N -1 3 392.463 3.119 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736129045 598961050 /nfs/dbraw/zinc/96/10/50/598961050.db2.gz ALZPYUKQXCYTMR-NEPJUHHUSA-N -1 3 393.476 3.154 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736129045 598961052 /nfs/dbraw/zinc/96/10/52/598961052.db2.gz ALZPYUKQXCYTMR-NEPJUHHUSA-N -1 3 393.476 3.154 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000737063589 598966769 /nfs/dbraw/zinc/96/67/69/598966769.db2.gz YVZNVVPMFODZGO-UHFFFAOYSA-N -1 3 390.350 3.429 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000737063589 598966771 /nfs/dbraw/zinc/96/67/71/598966771.db2.gz YVZNVVPMFODZGO-UHFFFAOYSA-N -1 3 390.350 3.429 20 0 GGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736112152 598963993 /nfs/dbraw/zinc/96/39/93/598963993.db2.gz QIJWALCTTQDIGN-LBPRGKRZSA-N -1 3 393.476 3.379 20 0 GGADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736112152 598963995 /nfs/dbraw/zinc/96/39/95/598963995.db2.gz QIJWALCTTQDIGN-LBPRGKRZSA-N -1 3 393.476 3.379 20 0 GGADHM CCc1ccc(S(=O)(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736689436 598970650 /nfs/dbraw/zinc/97/06/50/598970650.db2.gz HMOMMQMXGFDXFP-GFCCVEGCSA-N -1 3 391.522 3.262 20 0 GGADHM CCc1ccc(S(=O)(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736689436 598970651 /nfs/dbraw/zinc/97/06/51/598970651.db2.gz HMOMMQMXGFDXFP-GFCCVEGCSA-N -1 3 391.522 3.262 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000736509362 598970761 /nfs/dbraw/zinc/97/07/61/598970761.db2.gz VSPGBOANXGIZOR-SNVBAGLBSA-N -1 3 397.913 3.353 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000736509362 598970763 /nfs/dbraw/zinc/97/07/63/598970763.db2.gz VSPGBOANXGIZOR-SNVBAGLBSA-N -1 3 397.913 3.353 20 0 GGADHM Cc1c(COC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)oc2ccccc12 ZINC000737215207 598974510 /nfs/dbraw/zinc/97/45/10/598974510.db2.gz DLMRXHKXRFHNLC-ZDUSSCGKSA-N -1 3 378.388 3.432 20 0 GGADHM O[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000738383047 598974857 /nfs/dbraw/zinc/97/48/57/598974857.db2.gz NBDLOWPUGQICMQ-NSHDSACASA-N -1 3 384.749 3.079 20 0 GGADHM O[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000738383047 598974859 /nfs/dbraw/zinc/97/48/59/598974859.db2.gz NBDLOWPUGQICMQ-NSHDSACASA-N -1 3 384.749 3.079 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCC2 ZINC000736610470 598977294 /nfs/dbraw/zinc/97/72/94/598977294.db2.gz HVAPHMKAUHNJOJ-ZIAGYGMSSA-N -1 3 396.417 3.455 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCC2 ZINC000736610470 598977295 /nfs/dbraw/zinc/97/72/95/598977295.db2.gz HVAPHMKAUHNJOJ-ZIAGYGMSSA-N -1 3 396.417 3.455 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736265862 598979758 /nfs/dbraw/zinc/97/97/58/598979758.db2.gz DNSCSHAWHBIARU-OAHLLOKOSA-N -1 3 377.448 3.460 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736265862 598979760 /nfs/dbraw/zinc/97/97/60/598979760.db2.gz DNSCSHAWHBIARU-OAHLLOKOSA-N -1 3 377.448 3.460 20 0 GGADHM O=C(OCc1ccccn1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738232905 598979883 /nfs/dbraw/zinc/97/98/83/598979883.db2.gz ANNHFSPSYDUHEP-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000736629588 598983019 /nfs/dbraw/zinc/98/30/19/598983019.db2.gz XARLFJHGALICDT-UHFFFAOYSA-N -1 3 381.367 3.034 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000736629588 598983020 /nfs/dbraw/zinc/98/30/20/598983020.db2.gz XARLFJHGALICDT-UHFFFAOYSA-N -1 3 381.367 3.034 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN[C@H](c1ccccc1)C(F)(F)F ZINC000737033360 598984985 /nfs/dbraw/zinc/98/49/85/598984985.db2.gz WBHUNWLOGNRBQB-MRXNPFEDSA-N -1 3 393.369 3.147 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN[C@H](c1ccccc1)C(F)(F)F ZINC000737033360 598984986 /nfs/dbraw/zinc/98/49/86/598984986.db2.gz WBHUNWLOGNRBQB-MRXNPFEDSA-N -1 3 393.369 3.147 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000735875354 598989175 /nfs/dbraw/zinc/98/91/75/598989175.db2.gz UOFPKXAOOCECIF-FQEVSTJZSA-N -1 3 391.475 3.308 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000735875354 598989176 /nfs/dbraw/zinc/98/91/76/598989176.db2.gz UOFPKXAOOCECIF-FQEVSTJZSA-N -1 3 391.475 3.308 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000737221524 599000075 /nfs/dbraw/zinc/00/00/75/599000075.db2.gz NMKHOZFZMRWXPO-GOSISDBHSA-N -1 3 395.488 3.016 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000737221524 599000077 /nfs/dbraw/zinc/00/00/77/599000077.db2.gz NMKHOZFZMRWXPO-GOSISDBHSA-N -1 3 395.488 3.016 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000737423297 599007546 /nfs/dbraw/zinc/00/75/46/599007546.db2.gz PDHYFBRJANDDDX-NVXWUHKLSA-N -1 3 397.504 3.050 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000737423297 599007549 /nfs/dbraw/zinc/00/75/49/599007549.db2.gz PDHYFBRJANDDDX-NVXWUHKLSA-N -1 3 397.504 3.050 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736236158 599008530 /nfs/dbraw/zinc/00/85/30/599008530.db2.gz RACSYBVIRKMXFX-YOEHRIQHSA-N -1 3 379.489 3.363 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736236158 599008532 /nfs/dbraw/zinc/00/85/32/599008532.db2.gz RACSYBVIRKMXFX-YOEHRIQHSA-N -1 3 379.489 3.363 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736236153 599008639 /nfs/dbraw/zinc/00/86/39/599008639.db2.gz RACSYBVIRKMXFX-RHSMWYFYSA-N -1 3 379.489 3.363 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736236153 599008641 /nfs/dbraw/zinc/00/86/41/599008641.db2.gz RACSYBVIRKMXFX-RHSMWYFYSA-N -1 3 379.489 3.363 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737364693 599008818 /nfs/dbraw/zinc/00/88/18/599008818.db2.gz CLBWGQGGVZXCPY-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737364693 599008820 /nfs/dbraw/zinc/00/88/20/599008820.db2.gz CLBWGQGGVZXCPY-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM C[C@@H](Nc1ccccc1OCC1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736137600 599009101 /nfs/dbraw/zinc/00/91/01/599009101.db2.gz NDLBTQJXNQZAKH-CYBMUJFWSA-N -1 3 378.436 3.095 20 0 GGADHM C[C@@H](Nc1ccccc1OCC1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736137600 599009103 /nfs/dbraw/zinc/00/91/03/599009103.db2.gz NDLBTQJXNQZAKH-CYBMUJFWSA-N -1 3 378.436 3.095 20 0 GGADHM Cc1ccnc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000737437977 599009188 /nfs/dbraw/zinc/00/91/88/599009188.db2.gz WRWBAOAMDKHNJK-MDZDMXLPSA-N -1 3 383.415 3.284 20 0 GGADHM Cc1ccnc(-c2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737437977 599009190 /nfs/dbraw/zinc/00/91/90/599009190.db2.gz WRWBAOAMDKHNJK-MDZDMXLPSA-N -1 3 383.415 3.284 20 0 GGADHM NC(=O)[C@@H](Sc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739161 599012205 /nfs/dbraw/zinc/01/22/05/599012205.db2.gz IPSMTLVTELTHOZ-LBPRGKRZSA-N -1 3 380.260 3.492 20 0 GGADHM NC(=O)[C@@H](Sc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739161 599012207 /nfs/dbraw/zinc/01/22/07/599012207.db2.gz IPSMTLVTELTHOZ-LBPRGKRZSA-N -1 3 380.260 3.492 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc3c(c2)CCC3)n1 ZINC000736602301 599012531 /nfs/dbraw/zinc/01/25/31/599012531.db2.gz HDBXGXTYLBLJJY-UHFFFAOYSA-N -1 3 381.461 3.219 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc3c(c2)CCC3)n1 ZINC000736602301 599012533 /nfs/dbraw/zinc/01/25/33/599012533.db2.gz HDBXGXTYLBLJJY-UHFFFAOYSA-N -1 3 381.461 3.219 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCSC[C@H]1c1ccccc1 ZINC000737795923 599016216 /nfs/dbraw/zinc/01/62/16/599016216.db2.gz COOONPVTDJOJCH-LENZSSGSSA-N -1 3 377.473 3.197 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCSC[C@H]1c1ccccc1 ZINC000737795923 599016218 /nfs/dbraw/zinc/01/62/18/599016218.db2.gz COOONPVTDJOJCH-LENZSSGSSA-N -1 3 377.473 3.197 20 0 GGADHM O=C(C[C@@H]1CCc2ccccc21)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737819795 599016340 /nfs/dbraw/zinc/01/63/40/599016340.db2.gz PEJFOFXYSCPXIL-INIZCTEOSA-N -1 3 385.431 3.111 20 0 GGADHM Cc1cccc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737387392 599018682 /nfs/dbraw/zinc/01/86/82/599018682.db2.gz HKRHPNZUDUPWPP-JXFKEZNVSA-N -1 3 390.491 3.330 20 0 GGADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000736229501 599019683 /nfs/dbraw/zinc/01/96/83/599019683.db2.gz RERMGJLTHLVMRK-OLZOCXBDSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000736229501 599019685 /nfs/dbraw/zinc/01/96/85/599019685.db2.gz RERMGJLTHLVMRK-OLZOCXBDSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C[C@H](C)O ZINC000736146099 599019966 /nfs/dbraw/zinc/01/99/66/599019966.db2.gz WYNWTOSOBGGHDH-KGLIPLIRSA-N -1 3 396.451 3.188 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C[C@H](C)O ZINC000736146099 599019967 /nfs/dbraw/zinc/01/99/67/599019967.db2.gz WYNWTOSOBGGHDH-KGLIPLIRSA-N -1 3 396.451 3.188 20 0 GGADHM CC[C@H](CCO)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736348464 599020716 /nfs/dbraw/zinc/02/07/16/599020716.db2.gz BQGHSNGLERJZJI-OAHLLOKOSA-N -1 3 396.451 3.250 20 0 GGADHM CC[C@H](CCO)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736348464 599020718 /nfs/dbraw/zinc/02/07/18/599020718.db2.gz BQGHSNGLERJZJI-OAHLLOKOSA-N -1 3 396.451 3.250 20 0 GGADHM Cc1c(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)cccc1-c1nnn[n-]1 ZINC000822123177 607257037 /nfs/dbraw/zinc/25/70/37/607257037.db2.gz VGDDSFNHEFIYLP-UHFFFAOYSA-N -1 3 387.325 3.255 20 0 GGADHM Cc1c(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)cccc1-c1nn[n-]n1 ZINC000822123177 607257038 /nfs/dbraw/zinc/25/70/38/607257038.db2.gz VGDDSFNHEFIYLP-UHFFFAOYSA-N -1 3 387.325 3.255 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735922111 599026069 /nfs/dbraw/zinc/02/60/69/599026069.db2.gz CNFODKNCKQSJON-QZTJIDSGSA-N -1 3 392.463 3.144 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735922111 599026071 /nfs/dbraw/zinc/02/60/71/599026071.db2.gz CNFODKNCKQSJON-QZTJIDSGSA-N -1 3 392.463 3.144 20 0 GGADHM CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)c3sccc3-c3nnn[n-]3)cc21 ZINC000736604594 599026678 /nfs/dbraw/zinc/02/66/78/599026678.db2.gz YYSLLDCAHHAYFY-UHFFFAOYSA-N -1 3 397.416 3.114 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1sccc1-c1nnn[n-]1 ZINC000736239725 599026824 /nfs/dbraw/zinc/02/68/24/599026824.db2.gz XNABTVUQZIPPFT-YRGRVCCFSA-N -1 3 392.481 3.089 20 0 GGADHM O=C(OC[C@@H]1CCCCO1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738220238 599027069 /nfs/dbraw/zinc/02/70/69/599027069.db2.gz QWLZUPBMMQPSNY-SFHVURJKSA-N -1 3 379.420 3.336 20 0 GGADHM C[C@H](C1CC1)n1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC000735963812 599030212 /nfs/dbraw/zinc/03/02/12/599030212.db2.gz NMKLFMJBFKBOFT-GFCCVEGCSA-N -1 3 392.492 3.334 20 0 GGADHM C[C@H](C1CC1)n1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC000735963812 599030214 /nfs/dbraw/zinc/03/02/14/599030214.db2.gz NMKLFMJBFKBOFT-GFCCVEGCSA-N -1 3 392.492 3.334 20 0 GGADHM CCN(C(=O)COc1cc(C)ccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505938 599032191 /nfs/dbraw/zinc/03/21/91/599032191.db2.gz VHUWSQVYKCXCJG-CQSZACIVSA-N -1 3 383.427 3.303 20 0 GGADHM CCN(C(=O)COc1cc(C)ccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505938 599032193 /nfs/dbraw/zinc/03/21/93/599032193.db2.gz VHUWSQVYKCXCJG-CQSZACIVSA-N -1 3 383.427 3.303 20 0 GGADHM FC(F)Oc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737639095 599040467 /nfs/dbraw/zinc/04/04/67/599040467.db2.gz NNWIPCJRFWIJHV-UHFFFAOYSA-N -1 3 386.284 3.494 20 0 GGADHM FC(F)Oc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737639095 599040470 /nfs/dbraw/zinc/04/04/70/599040470.db2.gz NNWIPCJRFWIJHV-UHFFFAOYSA-N -1 3 386.284 3.494 20 0 GGADHM Cc1cc(C)cc(OCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737256160 599046841 /nfs/dbraw/zinc/04/68/41/599046841.db2.gz KXQFMLLFFXTGNQ-UHFFFAOYSA-N -1 3 378.358 3.388 20 0 GGADHM Cc1cc(C)cc(OCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737256160 599046844 /nfs/dbraw/zinc/04/68/44/599046844.db2.gz KXQFMLLFFXTGNQ-UHFFFAOYSA-N -1 3 378.358 3.388 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccn(-c3ccccc3)n2)n1 ZINC000737637020 599047472 /nfs/dbraw/zinc/04/74/72/599047472.db2.gz XSXPRVRBKZVSEW-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccn(-c3ccccc3)n2)n1 ZINC000737637020 599047475 /nfs/dbraw/zinc/04/74/75/599047475.db2.gz XSXPRVRBKZVSEW-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCN2CCCc3ccccc32)n1 ZINC000737635025 599047992 /nfs/dbraw/zinc/04/79/92/599047992.db2.gz DDTOBMGBLYBPOE-UHFFFAOYSA-N -1 3 389.385 3.145 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCN2CCCc3ccccc32)n1 ZINC000737635025 599047994 /nfs/dbraw/zinc/04/79/94/599047994.db2.gz DDTOBMGBLYBPOE-UHFFFAOYSA-N -1 3 389.385 3.145 20 0 GGADHM CSC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCOCC1 ZINC000821951504 599053177 /nfs/dbraw/zinc/05/31/77/599053177.db2.gz ZJRKZMNVZWETDW-UHFFFAOYSA-N -1 3 392.435 3.017 20 0 GGADHM CSC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCOCC1 ZINC000821951504 599053180 /nfs/dbraw/zinc/05/31/80/599053180.db2.gz ZJRKZMNVZWETDW-UHFFFAOYSA-N -1 3 392.435 3.017 20 0 GGADHM CCOc1ccccc1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736654019 599051573 /nfs/dbraw/zinc/05/15/73/599051573.db2.gz OTEOLSKVDUCIPJ-UHFFFAOYSA-N -1 3 378.358 3.334 20 0 GGADHM CCOc1ccccc1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736654019 599051576 /nfs/dbraw/zinc/05/15/76/599051576.db2.gz OTEOLSKVDUCIPJ-UHFFFAOYSA-N -1 3 378.358 3.334 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1Sc1ccc2nnc(-c3ccccc3)n2n1 ZINC000822747986 599057823 /nfs/dbraw/zinc/05/78/23/599057823.db2.gz BGTNASOBKJYRLA-UHFFFAOYSA-N -1 3 390.407 3.262 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1Sc1ccc2nnc(-c3ccccc3)n2n1 ZINC000822747986 599057826 /nfs/dbraw/zinc/05/78/26/599057826.db2.gz BGTNASOBKJYRLA-UHFFFAOYSA-N -1 3 390.407 3.262 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000738100102 599059402 /nfs/dbraw/zinc/05/94/02/599059402.db2.gz MDOMYTBWKJXMNH-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000738100102 599059405 /nfs/dbraw/zinc/05/94/05/599059405.db2.gz MDOMYTBWKJXMNH-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820280618 599059995 /nfs/dbraw/zinc/05/99/95/599059995.db2.gz KSXHGCKYNRZMEP-SECBINFHSA-N -1 3 382.321 3.299 20 0 GGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820280618 599059998 /nfs/dbraw/zinc/05/99/98/599059998.db2.gz KSXHGCKYNRZMEP-SECBINFHSA-N -1 3 382.321 3.299 20 0 GGADHM COc1cccc(O[C@H](C)CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)c1 ZINC000821871865 599062466 /nfs/dbraw/zinc/06/24/66/599062466.db2.gz HHVJJPMFCMAKCZ-CQSZACIVSA-N -1 3 390.447 3.033 20 0 GGADHM COc1cccc(O[C@H](C)CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)c1 ZINC000821871865 599062468 /nfs/dbraw/zinc/06/24/68/599062468.db2.gz HHVJJPMFCMAKCZ-CQSZACIVSA-N -1 3 390.447 3.033 20 0 GGADHM CCN(Cc1cccc(F)c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736558991 599063233 /nfs/dbraw/zinc/06/32/33/599063233.db2.gz RUSLYVPGFUBURZ-UHFFFAOYSA-N -1 3 389.431 3.286 20 0 GGADHM CCN(Cc1cccc(F)c1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736558991 599063235 /nfs/dbraw/zinc/06/32/35/599063235.db2.gz RUSLYVPGFUBURZ-UHFFFAOYSA-N -1 3 389.431 3.286 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)Cc1cccc(F)c1 ZINC000736193321 599064831 /nfs/dbraw/zinc/06/48/31/599064831.db2.gz OPUGIGMVTWVSNO-NSHDSACASA-N -1 3 389.431 3.284 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)Cc1cccc(F)c1 ZINC000736193321 599064833 /nfs/dbraw/zinc/06/48/33/599064833.db2.gz OPUGIGMVTWVSNO-NSHDSACASA-N -1 3 389.431 3.284 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H](C)Oc1ccccc1F ZINC000822334936 599068191 /nfs/dbraw/zinc/06/81/91/599068191.db2.gz IAKFNOIVUNZQBF-ZDUSSCGKSA-N -1 3 378.411 3.164 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H](C)Oc1ccccc1F ZINC000822334936 599068194 /nfs/dbraw/zinc/06/81/94/599068194.db2.gz IAKFNOIVUNZQBF-ZDUSSCGKSA-N -1 3 378.411 3.164 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccco1 ZINC000735561174 599069783 /nfs/dbraw/zinc/06/97/83/599069783.db2.gz WIRQXSFYGLETBX-LBPRGKRZSA-N -1 3 376.376 3.389 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccco1 ZINC000735561174 599069787 /nfs/dbraw/zinc/06/97/87/599069787.db2.gz WIRQXSFYGLETBX-LBPRGKRZSA-N -1 3 376.376 3.389 20 0 GGADHM O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737785203 599068582 /nfs/dbraw/zinc/06/85/82/599068582.db2.gz OIPXCTMLOVRLGM-FUHWJXTLSA-N -1 3 395.413 3.440 20 0 GGADHM O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737785203 599068585 /nfs/dbraw/zinc/06/85/85/599068585.db2.gz OIPXCTMLOVRLGM-FUHWJXTLSA-N -1 3 395.413 3.440 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000736637211 599072283 /nfs/dbraw/zinc/07/22/83/599072283.db2.gz TVDDOXJQCUHDLW-TZMCWYRMSA-N -1 3 385.374 3.286 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000736637211 599072287 /nfs/dbraw/zinc/07/22/87/599072287.db2.gz TVDDOXJQCUHDLW-TZMCWYRMSA-N -1 3 385.374 3.286 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1 ZINC000821839286 599076178 /nfs/dbraw/zinc/07/61/78/599076178.db2.gz TUNXZNJCSVDEGK-AWEZNQCLSA-N -1 3 390.447 3.033 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1 ZINC000821839286 599076181 /nfs/dbraw/zinc/07/61/81/599076181.db2.gz TUNXZNJCSVDEGK-AWEZNQCLSA-N -1 3 390.447 3.033 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@@H]1C ZINC000736266157 599082185 /nfs/dbraw/zinc/08/21/85/599082185.db2.gz MYMRMJOILFTGKU-ZIAGYGMSSA-N -1 3 378.436 3.315 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@@H]1C ZINC000736266157 599082188 /nfs/dbraw/zinc/08/21/88/599082188.db2.gz MYMRMJOILFTGKU-ZIAGYGMSSA-N -1 3 378.436 3.315 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H](C)C1CCCCC1 ZINC000737031752 599082665 /nfs/dbraw/zinc/08/26/65/599082665.db2.gz CYJWEVLVBGXAOL-CQSZACIVSA-N -1 3 387.484 3.119 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H](C)C1CCCCC1 ZINC000737031752 599082667 /nfs/dbraw/zinc/08/26/67/599082667.db2.gz CYJWEVLVBGXAOL-CQSZACIVSA-N -1 3 387.484 3.119 20 0 GGADHM Cc1ccc([C@H]2CCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737331639 599083215 /nfs/dbraw/zinc/08/32/15/599083215.db2.gz QIQZHGBRTBYUCY-LJQANCHMSA-N -1 3 377.448 3.308 20 0 GGADHM Cc1ccc([C@H]2CCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737331639 599083218 /nfs/dbraw/zinc/08/32/18/599083218.db2.gz QIQZHGBRTBYUCY-LJQANCHMSA-N -1 3 377.448 3.308 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737332413 599083387 /nfs/dbraw/zinc/08/33/87/599083387.db2.gz VKXJXPSQQQRESC-SFHVURJKSA-N -1 3 377.448 3.308 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737332413 599083390 /nfs/dbraw/zinc/08/33/90/599083390.db2.gz VKXJXPSQQQRESC-SFHVURJKSA-N -1 3 377.448 3.308 20 0 GGADHM CCC[C@H](CCc1ccccc1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736425422 599084218 /nfs/dbraw/zinc/08/42/18/599084218.db2.gz GDTMZJXUCGJSIN-QGZVFWFLSA-N -1 3 379.464 3.163 20 0 GGADHM CCC[C@H](CCc1ccccc1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736425422 599084220 /nfs/dbraw/zinc/08/42/20/599084220.db2.gz GDTMZJXUCGJSIN-QGZVFWFLSA-N -1 3 379.464 3.163 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)o1 ZINC000736684544 599084236 /nfs/dbraw/zinc/08/42/36/599084236.db2.gz HPSJPAIRLBOTIX-INIZCTEOSA-N -1 3 381.436 3.155 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)o1 ZINC000736684544 599084239 /nfs/dbraw/zinc/08/42/39/599084239.db2.gz HPSJPAIRLBOTIX-INIZCTEOSA-N -1 3 381.436 3.155 20 0 GGADHM CCC(CC)(CC)NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736335825 599089025 /nfs/dbraw/zinc/08/90/25/599089025.db2.gz VWFFALCVDVRUJQ-UHFFFAOYSA-N -1 3 375.473 3.119 20 0 GGADHM CCC(CC)(CC)NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736335825 599089027 /nfs/dbraw/zinc/08/90/27/599089027.db2.gz VWFFALCVDVRUJQ-UHFFFAOYSA-N -1 3 375.473 3.119 20 0 GGADHM CO[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1cccc(Cl)c1 ZINC000821677162 599090037 /nfs/dbraw/zinc/09/00/37/599090037.db2.gz PWZTVBBBTQTLBP-QGZVFWFLSA-N -1 3 380.839 3.290 20 0 GGADHM CO[C@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1cccc(Cl)c1 ZINC000821677162 599090039 /nfs/dbraw/zinc/09/00/39/599090039.db2.gz PWZTVBBBTQTLBP-QGZVFWFLSA-N -1 3 380.839 3.290 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000735736969 599090347 /nfs/dbraw/zinc/09/03/47/599090347.db2.gz XSSZJGWPGFDMSJ-POAQFYNOSA-N -1 3 391.475 3.018 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000735736969 599090350 /nfs/dbraw/zinc/09/03/50/599090350.db2.gz XSSZJGWPGFDMSJ-POAQFYNOSA-N -1 3 391.475 3.018 20 0 GGADHM COc1ccc([C@@H](C)CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737073737 599090590 /nfs/dbraw/zinc/09/05/90/599090590.db2.gz SNIGQKGLDLXBMJ-RZXPCSSPSA-N -1 3 377.448 3.199 20 0 GGADHM COc1ccc([C@@H](C)CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737073737 599090594 /nfs/dbraw/zinc/09/05/94/599090594.db2.gz SNIGQKGLDLXBMJ-RZXPCSSPSA-N -1 3 377.448 3.199 20 0 GGADHM C[C@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000736125283 599093082 /nfs/dbraw/zinc/09/30/82/599093082.db2.gz JFMICMKATJWRQQ-UGSOOPFHSA-N -1 3 378.480 3.041 20 0 GGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736225170 599093684 /nfs/dbraw/zinc/09/36/84/599093684.db2.gz XCRJZTNVZUYSLX-SIKLNZKXSA-N -1 3 391.475 3.262 20 0 GGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736225170 599093687 /nfs/dbraw/zinc/09/36/87/599093687.db2.gz XCRJZTNVZUYSLX-SIKLNZKXSA-N -1 3 391.475 3.262 20 0 GGADHM CCc1ccc(N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000821486377 599098117 /nfs/dbraw/zinc/09/81/17/599098117.db2.gz DTFVLHSOYZVPIN-UHFFFAOYSA-N -1 3 385.475 3.304 20 0 GGADHM CCc1ccc(N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000821486377 599098120 /nfs/dbraw/zinc/09/81/20/599098120.db2.gz DTFVLHSOYZVPIN-UHFFFAOYSA-N -1 3 385.475 3.304 20 0 GGADHM O=C1[C@@H](SCCOc2cccc(-c3nnn[n-]3)c2)CCCN1c1ccccc1 ZINC000738297098 599100778 /nfs/dbraw/zinc/10/07/78/599100778.db2.gz OVLXZQMTAHANFD-SFHVURJKSA-N -1 3 395.488 3.174 20 0 GGADHM O=C1[C@@H](SCCOc2cccc(-c3nn[n-]n3)c2)CCCN1c1ccccc1 ZINC000738297098 599100781 /nfs/dbraw/zinc/10/07/81/599100781.db2.gz OVLXZQMTAHANFD-SFHVURJKSA-N -1 3 395.488 3.174 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000736816654 599108165 /nfs/dbraw/zinc/10/81/65/599108165.db2.gz MGCDGYCGWITJNA-UHFFFAOYSA-N -1 3 379.898 3.332 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000736816654 599108167 /nfs/dbraw/zinc/10/81/67/599108167.db2.gz MGCDGYCGWITJNA-UHFFFAOYSA-N -1 3 379.898 3.332 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000822233002 599108760 /nfs/dbraw/zinc/10/87/60/599108760.db2.gz GEBLDXOCYRHIAF-WMZOPIPTSA-N -1 3 379.468 3.162 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000822233002 599108762 /nfs/dbraw/zinc/10/87/62/599108762.db2.gz GEBLDXOCYRHIAF-WMZOPIPTSA-N -1 3 379.468 3.162 20 0 GGADHM COCCN(C(=O)c1oc2ccc(F)cc2c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988460 599115439 /nfs/dbraw/zinc/11/54/39/599115439.db2.gz NZUSPCUHMIKWMM-UHFFFAOYSA-N -1 3 395.394 3.354 20 0 GGADHM COCCN(C(=O)c1oc2ccc(F)cc2c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988460 599115441 /nfs/dbraw/zinc/11/54/41/599115441.db2.gz NZUSPCUHMIKWMM-UHFFFAOYSA-N -1 3 395.394 3.354 20 0 GGADHM COCCN(C(=O)c1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988465 599115653 /nfs/dbraw/zinc/11/56/53/599115653.db2.gz OCYFPAFMLKBEQK-UHFFFAOYSA-N -1 3 379.445 3.375 20 0 GGADHM COCCN(C(=O)c1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988465 599115654 /nfs/dbraw/zinc/11/56/54/599115654.db2.gz OCYFPAFMLKBEQK-UHFFFAOYSA-N -1 3 379.445 3.375 20 0 GGADHM COCCN(C(=O)c1cc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987490 599117513 /nfs/dbraw/zinc/11/75/13/599117513.db2.gz DEUPAZZVDRDCJM-UHFFFAOYSA-N -1 3 379.445 3.375 20 0 GGADHM COCCN(C(=O)c1cc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987490 599117514 /nfs/dbraw/zinc/11/75/14/599117514.db2.gz DEUPAZZVDRDCJM-UHFFFAOYSA-N -1 3 379.445 3.375 20 0 GGADHM Cc1nc2ccccc2n1CCCNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000737411404 599122542 /nfs/dbraw/zinc/12/25/42/599122542.db2.gz XWFGPUZWRUIPBB-UHFFFAOYSA-N -1 3 398.474 3.306 20 0 GGADHM Cc1nc2ccccc2n1CCCNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000737411404 599122544 /nfs/dbraw/zinc/12/25/44/599122544.db2.gz XWFGPUZWRUIPBB-UHFFFAOYSA-N -1 3 398.474 3.306 20 0 GGADHM COc1ccc(-c2ncc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)s2)cc1 ZINC000463617862 599133553 /nfs/dbraw/zinc/13/35/53/599133553.db2.gz YSUGOEWRKCEOPQ-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1ccc(-c2ncc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000463617862 599133556 /nfs/dbraw/zinc/13/35/56/599133556.db2.gz YSUGOEWRKCEOPQ-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000736688511 599138791 /nfs/dbraw/zinc/13/87/91/599138791.db2.gz WCUZLZAHXUUSBU-AWEZNQCLSA-N -1 3 386.481 3.249 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000736688511 599138793 /nfs/dbraw/zinc/13/87/93/599138793.db2.gz WCUZLZAHXUUSBU-AWEZNQCLSA-N -1 3 386.481 3.249 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(-c2cscn2)c1 ZINC000821613336 599140531 /nfs/dbraw/zinc/14/05/31/599140531.db2.gz IPWMKRVXVBDSES-UHFFFAOYSA-N -1 3 376.445 3.262 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-c2cscn2)c1 ZINC000821613336 599140533 /nfs/dbraw/zinc/14/05/33/599140533.db2.gz IPWMKRVXVBDSES-UHFFFAOYSA-N -1 3 376.445 3.262 20 0 GGADHM C[C@@H]1CN(CCCOc2ccc(-c3nn[n-]n3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736285488 599141170 /nfs/dbraw/zinc/14/11/70/599141170.db2.gz KDSJQKUZYSXQJK-QRWLVFNGSA-N -1 3 397.454 3.237 20 0 GGADHM O=C(CCCC1CCCC1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822954946 599142744 /nfs/dbraw/zinc/14/27/44/599142744.db2.gz GJEMNYSTNRUVPM-UHFFFAOYSA-N -1 3 386.475 3.015 20 0 GGADHM O=C(CCCC1CCCC1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822954946 599142746 /nfs/dbraw/zinc/14/27/46/599142746.db2.gz GJEMNYSTNRUVPM-UHFFFAOYSA-N -1 3 386.475 3.015 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737059244 599145230 /nfs/dbraw/zinc/14/52/30/599145230.db2.gz TVOOGCIBWWKXSE-UHFFFAOYSA-N -1 3 396.426 3.459 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737059244 599145232 /nfs/dbraw/zinc/14/52/32/599145232.db2.gz TVOOGCIBWWKXSE-UHFFFAOYSA-N -1 3 396.426 3.459 20 0 GGADHM O=C(C[C@H]1CCc2ccccc21)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737821691 599145845 /nfs/dbraw/zinc/14/58/45/599145845.db2.gz WDSDODJFISMKTG-QGZVFWFLSA-N -1 3 378.432 3.299 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cc(F)ccc1F ZINC000820087702 599146038 /nfs/dbraw/zinc/14/60/38/599146038.db2.gz XIOWKVQLIVTLLZ-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cc(F)ccc1F ZINC000820087702 599146039 /nfs/dbraw/zinc/14/60/39/599146039.db2.gz XIOWKVQLIVTLLZ-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000820005368 599147459 /nfs/dbraw/zinc/14/74/59/599147459.db2.gz OSZJOKOWIJIVBS-UHFFFAOYSA-N -1 3 390.447 3.010 20 0 GGADHM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000820005368 599147460 /nfs/dbraw/zinc/14/74/60/599147460.db2.gz OSZJOKOWIJIVBS-UHFFFAOYSA-N -1 3 390.447 3.010 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000821757393 599148613 /nfs/dbraw/zinc/14/86/13/599148613.db2.gz WIBSGAFNGUIRBQ-UHFFFAOYSA-N -1 3 394.218 3.200 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000821757393 599148616 /nfs/dbraw/zinc/14/86/16/599148616.db2.gz WIBSGAFNGUIRBQ-UHFFFAOYSA-N -1 3 394.218 3.200 20 0 GGADHM O=C(/C=C\C1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822924108 599151873 /nfs/dbraw/zinc/15/18/73/599151873.db2.gz XLKIGUVKHDZPCZ-TWGQIWQCSA-N -1 3 379.395 3.490 20 0 GGADHM O=C(/C=C\C1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822924108 599151876 /nfs/dbraw/zinc/15/18/76/599151876.db2.gz XLKIGUVKHDZPCZ-TWGQIWQCSA-N -1 3 379.395 3.490 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233956 599153498 /nfs/dbraw/zinc/15/34/98/599153498.db2.gz YPYTYKUVIZFKBC-PKOBYXMFSA-N -1 3 395.438 3.098 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233956 599153501 /nfs/dbraw/zinc/15/35/01/599153501.db2.gz YPYTYKUVIZFKBC-PKOBYXMFSA-N -1 3 395.438 3.098 20 0 GGADHM Cc1ccc([C@H](C)C(=O)Nc2c(C)c(C)nn2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822227809 599153619 /nfs/dbraw/zinc/15/36/19/599153619.db2.gz WPJSRYQNSVJYIJ-ZDUSSCGKSA-N -1 3 391.435 3.313 20 0 GGADHM O=Cc1c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc2ccccc21 ZINC000738314661 599160551 /nfs/dbraw/zinc/16/05/51/599160551.db2.gz WONQBMVQSIRTPM-UHFFFAOYSA-N -1 3 398.382 3.461 20 0 GGADHM O=Cc1c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc2ccccc21 ZINC000738314661 599160555 /nfs/dbraw/zinc/16/05/55/599160555.db2.gz WONQBMVQSIRTPM-UHFFFAOYSA-N -1 3 398.382 3.461 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000736627757 599160707 /nfs/dbraw/zinc/16/07/07/599160707.db2.gz MWDALQLDWYNJLI-NWDGAFQWSA-N -1 3 386.358 3.253 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000736627757 599160708 /nfs/dbraw/zinc/16/07/08/599160708.db2.gz MWDALQLDWYNJLI-NWDGAFQWSA-N -1 3 386.358 3.253 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000736634773 599160787 /nfs/dbraw/zinc/16/07/87/599160787.db2.gz ILCJFMHVIHOSSJ-RYUDHWBXSA-N -1 3 385.374 3.286 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000736634773 599160788 /nfs/dbraw/zinc/16/07/88/599160788.db2.gz ILCJFMHVIHOSSJ-RYUDHWBXSA-N -1 3 385.374 3.286 20 0 GGADHM c1ccc2[nH]c(SCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)nc2c1 ZINC000738433959 599160860 /nfs/dbraw/zinc/16/08/60/599160860.db2.gz XFXNHNWLXJOQIG-UHFFFAOYSA-N -1 3 376.405 3.085 20 0 GGADHM c1ccc2[nH]c(SCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)nc2c1 ZINC000738433959 599160862 /nfs/dbraw/zinc/16/08/62/599160862.db2.gz XFXNHNWLXJOQIG-UHFFFAOYSA-N -1 3 376.405 3.085 20 0 GGADHM COc1ccnc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000737155013 599161181 /nfs/dbraw/zinc/16/11/81/599161181.db2.gz CGUJUCWJSZPAFP-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1ccnc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000737155013 599161184 /nfs/dbraw/zinc/16/11/84/599161184.db2.gz CGUJUCWJSZPAFP-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1ccnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1 ZINC000737155572 599161647 /nfs/dbraw/zinc/16/16/47/599161647.db2.gz IOWCOVMWLJTURW-UHFFFAOYSA-N -1 3 384.465 3.243 20 0 GGADHM COc1ccnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1 ZINC000737155572 599161648 /nfs/dbraw/zinc/16/16/48/599161648.db2.gz IOWCOVMWLJTURW-UHFFFAOYSA-N -1 3 384.465 3.243 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccccc2F)o1 ZINC000823242215 599162669 /nfs/dbraw/zinc/16/26/69/599162669.db2.gz RLCQDENUBKOETL-UHFFFAOYSA-N -1 3 381.342 3.335 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccccc2F)o1 ZINC000823242215 599162672 /nfs/dbraw/zinc/16/26/72/599162672.db2.gz RLCQDENUBKOETL-UHFFFAOYSA-N -1 3 381.342 3.335 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(C2CC2)nc2ccccc21 ZINC000823238514 599162810 /nfs/dbraw/zinc/16/28/10/599162810.db2.gz OKRCCVPMVAFZMI-UHFFFAOYSA-N -1 3 388.406 3.361 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(C2CC2)nc2ccccc21 ZINC000823238514 599162813 /nfs/dbraw/zinc/16/28/13/599162813.db2.gz OKRCCVPMVAFZMI-UHFFFAOYSA-N -1 3 388.406 3.361 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)c(Cl)cc1Cl ZINC000823238593 599165331 /nfs/dbraw/zinc/16/53/31/599165331.db2.gz QBJIYQRYLIAVNA-UHFFFAOYSA-N -1 3 384.173 3.382 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)c(Cl)cc1Cl ZINC000823238593 599165332 /nfs/dbraw/zinc/16/53/32/599165332.db2.gz QBJIYQRYLIAVNA-UHFFFAOYSA-N -1 3 384.173 3.382 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc12 ZINC000820206716 599165593 /nfs/dbraw/zinc/16/55/93/599165593.db2.gz XJISBVKJIXPYSQ-UHFFFAOYSA-N -1 3 399.455 3.007 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc12 ZINC000820206716 599165596 /nfs/dbraw/zinc/16/55/96/599165596.db2.gz XJISBVKJIXPYSQ-UHFFFAOYSA-N -1 3 399.455 3.007 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736351301 599166690 /nfs/dbraw/zinc/16/66/90/599166690.db2.gz FESYEZXSTRFDDR-INIZCTEOSA-N -1 3 385.855 3.036 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736351301 599166692 /nfs/dbraw/zinc/16/66/92/599166692.db2.gz FESYEZXSTRFDDR-INIZCTEOSA-N -1 3 385.855 3.036 20 0 GGADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000737480354 599167366 /nfs/dbraw/zinc/16/73/66/599167366.db2.gz NZXHBJWUDMENQA-SECBINFHSA-N -1 3 378.458 3.198 20 0 GGADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000737480354 599167369 /nfs/dbraw/zinc/16/73/69/599167369.db2.gz NZXHBJWUDMENQA-SECBINFHSA-N -1 3 378.458 3.198 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823032371 599167471 /nfs/dbraw/zinc/16/74/71/599167471.db2.gz RMJWKHQIRCLXPH-UHFFFAOYSA-N -1 3 396.209 3.008 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823032371 599167473 /nfs/dbraw/zinc/16/74/73/599167473.db2.gz RMJWKHQIRCLXPH-UHFFFAOYSA-N -1 3 396.209 3.008 20 0 GGADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822935959 599169691 /nfs/dbraw/zinc/16/96/91/599169691.db2.gz QRSRAPLAHOCXPF-CQSZACIVSA-N -1 3 393.344 3.358 20 0 GGADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822935959 599169693 /nfs/dbraw/zinc/16/96/93/599169693.db2.gz QRSRAPLAHOCXPF-CQSZACIVSA-N -1 3 393.344 3.358 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NCc1ccccc1Cl ZINC000736190652 599169891 /nfs/dbraw/zinc/16/98/91/599169891.db2.gz GIGGJQGPBZZHAP-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NCc1ccccc1Cl ZINC000736190652 599169894 /nfs/dbraw/zinc/16/98/94/599169894.db2.gz GIGGJQGPBZZHAP-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823235177 599170010 /nfs/dbraw/zinc/17/00/10/599170010.db2.gz SJBAPVUURFJTHY-IBGZPJMESA-N -1 3 395.438 3.323 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823235177 599170014 /nfs/dbraw/zinc/17/00/14/599170014.db2.gz SJBAPVUURFJTHY-IBGZPJMESA-N -1 3 395.438 3.323 20 0 GGADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000736110270 599170450 /nfs/dbraw/zinc/17/04/50/599170450.db2.gz HIIQHBWFMSETMK-SNVBAGLBSA-N -1 3 375.404 3.114 20 0 GGADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000736110270 599170451 /nfs/dbraw/zinc/17/04/51/599170451.db2.gz HIIQHBWFMSETMK-SNVBAGLBSA-N -1 3 375.404 3.114 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCc2sccc2C1 ZINC000736192000 599171244 /nfs/dbraw/zinc/17/12/44/599171244.db2.gz JRFSGKNKYOZBAC-JTQLQIEISA-N -1 3 389.481 3.133 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCc2sccc2C1 ZINC000736192000 599171246 /nfs/dbraw/zinc/17/12/46/599171246.db2.gz JRFSGKNKYOZBAC-JTQLQIEISA-N -1 3 389.481 3.133 20 0 GGADHM Cc1ccccc1C[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737426487 599172025 /nfs/dbraw/zinc/17/20/25/599172025.db2.gz MWRVLTGCNOQPCN-CYBMUJFWSA-N -1 3 385.468 3.154 20 0 GGADHM Cc1ccccc1C[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737426487 599172028 /nfs/dbraw/zinc/17/20/28/599172028.db2.gz MWRVLTGCNOQPCN-CYBMUJFWSA-N -1 3 385.468 3.154 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000735551020 599172375 /nfs/dbraw/zinc/17/23/75/599172375.db2.gz OQLMSRQQHHATFM-IAQYHMDHSA-N -1 3 386.843 3.277 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000735551020 599172377 /nfs/dbraw/zinc/17/23/77/599172377.db2.gz OQLMSRQQHHATFM-IAQYHMDHSA-N -1 3 386.843 3.277 20 0 GGADHM CC(C)c1cccc(NC(=S)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735933102 599174310 /nfs/dbraw/zinc/17/43/10/599174310.db2.gz UXPKJUUIIWSJAZ-UHFFFAOYSA-N -1 3 382.493 3.356 20 0 GGADHM CCCN(CC)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821095071 599176365 /nfs/dbraw/zinc/17/63/65/599176365.db2.gz WYFUHVCFORAOQT-UHFFFAOYSA-N -1 3 382.443 3.172 20 0 GGADHM CCCN(CC)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821095071 599176368 /nfs/dbraw/zinc/17/63/68/599176368.db2.gz WYFUHVCFORAOQT-UHFFFAOYSA-N -1 3 382.443 3.172 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C(C)(C)C)on1 ZINC000736625610 599179532 /nfs/dbraw/zinc/17/95/32/599179532.db2.gz CYPUHYLZZOVHGB-UHFFFAOYSA-N -1 3 391.815 3.424 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C(C)(C)C)on1 ZINC000736625610 599179533 /nfs/dbraw/zinc/17/95/33/599179533.db2.gz CYPUHYLZZOVHGB-UHFFFAOYSA-N -1 3 391.815 3.424 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000737025837 599179835 /nfs/dbraw/zinc/17/98/35/599179835.db2.gz OCKCAQPRFOOWLM-SECBINFHSA-N -1 3 376.775 3.377 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000737025837 599179838 /nfs/dbraw/zinc/17/98/38/599179838.db2.gz OCKCAQPRFOOWLM-SECBINFHSA-N -1 3 376.775 3.377 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCSc2ccccc21 ZINC000736629179 599180127 /nfs/dbraw/zinc/18/01/27/599180127.db2.gz VFQGLVNTXZYONW-CQSZACIVSA-N -1 3 382.445 3.450 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCSc2ccccc21 ZINC000736629179 599180130 /nfs/dbraw/zinc/18/01/30/599180130.db2.gz VFQGLVNTXZYONW-CQSZACIVSA-N -1 3 382.445 3.450 20 0 GGADHM Cc1ccc([C@H]2CSCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737330763 599182057 /nfs/dbraw/zinc/18/20/57/599182057.db2.gz KMWQMVFEUQZLCI-QGZVFWFLSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1ccc([C@H]2CSCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737330763 599182059 /nfs/dbraw/zinc/18/20/59/599182059.db2.gz KMWQMVFEUQZLCI-QGZVFWFLSA-N -1 3 380.477 3.497 20 0 GGADHM Cn1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)cc1C1CC1 ZINC000737623931 599185514 /nfs/dbraw/zinc/18/55/14/599185514.db2.gz SKWDPMBSDCTQEU-UHFFFAOYSA-N -1 3 397.508 3.450 20 0 GGADHM Cn1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)cc1C1CC1 ZINC000737623931 599185515 /nfs/dbraw/zinc/18/55/15/599185515.db2.gz SKWDPMBSDCTQEU-UHFFFAOYSA-N -1 3 397.508 3.450 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821890715 599188799 /nfs/dbraw/zinc/18/87/99/599188799.db2.gz OQMHVSNDNUEBGL-AWEZNQCLSA-N -1 3 397.504 3.057 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821890715 599188800 /nfs/dbraw/zinc/18/88/00/599188800.db2.gz OQMHVSNDNUEBGL-AWEZNQCLSA-N -1 3 397.504 3.057 20 0 GGADHM C[C@H](C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735570633 599189158 /nfs/dbraw/zinc/18/91/58/599189158.db2.gz OPONJQVZHFUBTN-LBPRGKRZSA-N -1 3 393.838 3.448 20 0 GGADHM CCc1cnc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000821499292 599195033 /nfs/dbraw/zinc/19/50/33/599195033.db2.gz HSTLIQGRKARLCJ-UHFFFAOYSA-N -1 3 396.432 3.310 20 0 GGADHM CCc1cnc(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)s1 ZINC000821499893 599195101 /nfs/dbraw/zinc/19/51/01/599195101.db2.gz UPYVOOPVOQUAHP-UHFFFAOYSA-N -1 3 387.494 3.132 20 0 GGADHM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c2cccnc2c1C ZINC000822207293 599198105 /nfs/dbraw/zinc/19/81/05/599198105.db2.gz QRQJSSYIGMJRPY-AWEZNQCLSA-N -1 3 388.431 3.438 20 0 GGADHM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c2cccnc2c1C ZINC000822207293 599198108 /nfs/dbraw/zinc/19/81/08/599198108.db2.gz QRQJSSYIGMJRPY-AWEZNQCLSA-N -1 3 388.431 3.438 20 0 GGADHM CCC(=CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736304867 599201262 /nfs/dbraw/zinc/20/12/62/599201262.db2.gz RPAKTRSOSGIQJE-FOCLMDBBSA-N -1 3 377.448 3.340 20 0 GGADHM CCC(=CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736304867 599201264 /nfs/dbraw/zinc/20/12/64/599201264.db2.gz RPAKTRSOSGIQJE-FOCLMDBBSA-N -1 3 377.448 3.340 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000820736088 599204703 /nfs/dbraw/zinc/20/47/03/599204703.db2.gz XJZKNIKMZRLWBZ-NEPJUHHUSA-N -1 3 399.838 3.102 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000820736088 599204705 /nfs/dbraw/zinc/20/47/05/599204705.db2.gz XJZKNIKMZRLWBZ-NEPJUHHUSA-N -1 3 399.838 3.102 20 0 GGADHM COc1ccc(CN(C(=O)c2sccc2-c2nnn[n-]2)c2ccncc2)cc1 ZINC000737090274 599202808 /nfs/dbraw/zinc/20/28/08/599202808.db2.gz LOSADSCTCWYZSC-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM COc1ccc(CN(C(=O)c2sccc2-c2nn[n-]n2)c2ccncc2)cc1 ZINC000737090274 599202811 /nfs/dbraw/zinc/20/28/11/599202811.db2.gz LOSADSCTCWYZSC-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM Cc1nn(C)c(C)c1OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737512467 599207734 /nfs/dbraw/zinc/20/77/34/599207734.db2.gz VZCHFERHACSRBZ-UHFFFAOYSA-N -1 3 390.403 3.229 20 0 GGADHM Cc1nn(C)c(C)c1OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737512467 599207735 /nfs/dbraw/zinc/20/77/35/599207735.db2.gz VZCHFERHACSRBZ-UHFFFAOYSA-N -1 3 390.403 3.229 20 0 GGADHM COc1cc(CN(C)CC(F)F)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737045344 599208705 /nfs/dbraw/zinc/20/87/05/599208705.db2.gz ITLCUGSTFLMICM-UHFFFAOYSA-N -1 3 389.406 3.151 20 0 GGADHM COc1cc(CN(C)CC(F)F)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737045344 599208706 /nfs/dbraw/zinc/20/87/06/599208706.db2.gz ITLCUGSTFLMICM-UHFFFAOYSA-N -1 3 389.406 3.151 20 0 GGADHM COCCSCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000737013437 599210265 /nfs/dbraw/zinc/21/02/65/599210265.db2.gz IHIGCVWAIZGVAQ-UHFFFAOYSA-N -1 3 386.477 3.334 20 0 GGADHM COCCSCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737013437 599210266 /nfs/dbraw/zinc/21/02/66/599210266.db2.gz IHIGCVWAIZGVAQ-UHFFFAOYSA-N -1 3 386.477 3.334 20 0 GGADHM COC[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736968706 599210438 /nfs/dbraw/zinc/21/04/38/599210438.db2.gz SSNLLUKDWWZFKF-CYBMUJFWSA-N -1 3 385.855 3.336 20 0 GGADHM COC[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736968706 599210441 /nfs/dbraw/zinc/21/04/41/599210441.db2.gz SSNLLUKDWWZFKF-CYBMUJFWSA-N -1 3 385.855 3.336 20 0 GGADHM Cn1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737609076 599210713 /nfs/dbraw/zinc/21/07/13/599210713.db2.gz BAZWSPBAIQEVOL-UHFFFAOYSA-N -1 3 393.838 3.101 20 0 GGADHM Cn1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737609076 599210716 /nfs/dbraw/zinc/21/07/16/599210716.db2.gz BAZWSPBAIQEVOL-UHFFFAOYSA-N -1 3 393.838 3.101 20 0 GGADHM COCCN(C(=O)c1csc2c1CC[C@H](C)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989233 599206711 /nfs/dbraw/zinc/20/67/11/599206711.db2.gz XFMYPEVYHNWJQA-ZDUSSCGKSA-N -1 3 397.504 3.346 20 0 GGADHM COCCN(C(=O)c1csc2c1CC[C@H](C)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989233 599206712 /nfs/dbraw/zinc/20/67/12/599206712.db2.gz XFMYPEVYHNWJQA-ZDUSSCGKSA-N -1 3 397.504 3.346 20 0 GGADHM CC(=O)N(Cc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000735460898 599211643 /nfs/dbraw/zinc/21/16/43/599211643.db2.gz OIZOKRBTKUIPQH-UHFFFAOYSA-N -1 3 393.451 3.268 20 0 GGADHM CC(=O)N(Cc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000735460898 599211646 /nfs/dbraw/zinc/21/16/46/599211646.db2.gz OIZOKRBTKUIPQH-UHFFFAOYSA-N -1 3 393.451 3.268 20 0 GGADHM CC[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCS1 ZINC000820987924 599213190 /nfs/dbraw/zinc/21/31/90/599213190.db2.gz CGUXTNJNCJBTJT-AWEZNQCLSA-N -1 3 399.476 3.006 20 0 GGADHM CC[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCS1 ZINC000820987924 599213191 /nfs/dbraw/zinc/21/31/91/599213191.db2.gz CGUXTNJNCJBTJT-AWEZNQCLSA-N -1 3 399.476 3.006 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820020108 599214854 /nfs/dbraw/zinc/21/48/54/599214854.db2.gz BLAMHKQKKMYJPN-DLENHJPASA-N -1 3 379.439 3.403 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820020108 599214857 /nfs/dbraw/zinc/21/48/57/599214857.db2.gz BLAMHKQKKMYJPN-DLENHJPASA-N -1 3 379.439 3.403 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820021557 599215360 /nfs/dbraw/zinc/21/53/60/599215360.db2.gz WBOZUAZFQNNBCG-SFHVURJKSA-N -1 3 399.495 3.481 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820021557 599215363 /nfs/dbraw/zinc/21/53/63/599215363.db2.gz WBOZUAZFQNNBCG-SFHVURJKSA-N -1 3 399.495 3.481 20 0 GGADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820397573 599216328 /nfs/dbraw/zinc/21/63/28/599216328.db2.gz QNWKBHFYJQHXPE-JTQLQIEISA-N -1 3 395.810 3.061 20 0 GGADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820397573 599216329 /nfs/dbraw/zinc/21/63/29/599216329.db2.gz QNWKBHFYJQHXPE-JTQLQIEISA-N -1 3 395.810 3.061 20 0 GGADHM Cc1cc(F)cc2[nH]c(C(=O)OCCOc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000737263751 599216460 /nfs/dbraw/zinc/21/64/60/599216460.db2.gz OWMXRHXLSYJDKO-UHFFFAOYSA-N -1 3 381.367 3.031 20 0 GGADHM Cc1cc(F)cc2[nH]c(C(=O)OCCOc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000737263751 599216462 /nfs/dbraw/zinc/21/64/62/599216462.db2.gz OWMXRHXLSYJDKO-UHFFFAOYSA-N -1 3 381.367 3.031 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000738089623 599216558 /nfs/dbraw/zinc/21/65/58/599216558.db2.gz ONZYZCWGXFXLIN-UHFFFAOYSA-N -1 3 385.427 3.343 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737351075 599216787 /nfs/dbraw/zinc/21/67/87/599216787.db2.gz JUFGNZUZWVYMLH-UHFFFAOYSA-N -1 3 381.411 3.271 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737351075 599216789 /nfs/dbraw/zinc/21/67/89/599216789.db2.gz JUFGNZUZWVYMLH-UHFFFAOYSA-N -1 3 381.411 3.271 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000737352315 599216914 /nfs/dbraw/zinc/21/69/14/599216914.db2.gz QBCLHHOLWCOAMY-UHFFFAOYSA-N -1 3 381.411 3.271 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000737352315 599216917 /nfs/dbraw/zinc/21/69/17/599216917.db2.gz QBCLHHOLWCOAMY-UHFFFAOYSA-N -1 3 381.411 3.271 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000822978361 599217066 /nfs/dbraw/zinc/21/70/66/599217066.db2.gz HXMKDNNBXGXYMZ-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000822978361 599217068 /nfs/dbraw/zinc/21/70/68/599217068.db2.gz HXMKDNNBXGXYMZ-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000822935057 599217104 /nfs/dbraw/zinc/21/71/04/599217104.db2.gz GGSVDEZNIOPJTI-YHYXMXQVSA-N -1 3 391.822 3.358 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000822935057 599217105 /nfs/dbraw/zinc/21/71/05/599217105.db2.gz GGSVDEZNIOPJTI-YHYXMXQVSA-N -1 3 391.822 3.358 20 0 GGADHM Cc1ocnc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822552449 599218944 /nfs/dbraw/zinc/21/89/44/599218944.db2.gz AOGWLTWEWLWMFW-UHFFFAOYSA-N -1 3 380.339 3.347 20 0 GGADHM Cc1ocnc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822552449 599218945 /nfs/dbraw/zinc/21/89/45/599218945.db2.gz AOGWLTWEWLWMFW-UHFFFAOYSA-N -1 3 380.339 3.347 20 0 GGADHM O=C(CCn1ccnc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822987602 599219503 /nfs/dbraw/zinc/21/95/03/599219503.db2.gz ZZWDXCPKTKOQFM-UHFFFAOYSA-N -1 3 393.382 3.023 20 0 GGADHM O=C(CCn1ccnc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822987602 599219506 /nfs/dbraw/zinc/21/95/06/599219506.db2.gz ZZWDXCPKTKOQFM-UHFFFAOYSA-N -1 3 393.382 3.023 20 0 GGADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821480932 599221213 /nfs/dbraw/zinc/22/12/13/599221213.db2.gz GGHSCRYIGXXBOB-KBXCAEBGSA-N -1 3 395.463 3.401 20 0 GGADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821480932 599221215 /nfs/dbraw/zinc/22/12/15/599221215.db2.gz GGHSCRYIGXXBOB-KBXCAEBGSA-N -1 3 395.463 3.401 20 0 GGADHM COC(=O)CCCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000736912403 599221250 /nfs/dbraw/zinc/22/12/50/599221250.db2.gz ABWSJIFFFXRYHK-UHFFFAOYSA-N -1 3 385.449 3.056 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233583 599221351 /nfs/dbraw/zinc/22/13/51/599221351.db2.gz RNPQGJDYNBCVFW-SUMWQHHRSA-N -1 3 380.452 3.180 20 0 GGADHM O=C(COCC1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823032072 599221971 /nfs/dbraw/zinc/22/19/71/599221971.db2.gz MOSFLPKYOMWPOZ-UHFFFAOYSA-N -1 3 383.383 3.163 20 0 GGADHM O=C(COCC1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823032072 599221974 /nfs/dbraw/zinc/22/19/74/599221974.db2.gz MOSFLPKYOMWPOZ-UHFFFAOYSA-N -1 3 383.383 3.163 20 0 GGADHM O=C(CC1CCOCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737819051 599222780 /nfs/dbraw/zinc/22/27/80/599222780.db2.gz KNKBHVOYZMGITG-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM O=C(CC1CCOCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737819051 599222782 /nfs/dbraw/zinc/22/27/82/599222782.db2.gz KNKBHVOYZMGITG-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CCOCC1 ZINC000823357431 599222805 /nfs/dbraw/zinc/22/28/05/599222805.db2.gz VGLUFGCRDQKJJI-UHFFFAOYSA-N -1 3 383.383 3.163 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CCOCC1 ZINC000823357431 599222807 /nfs/dbraw/zinc/22/28/07/599222807.db2.gz VGLUFGCRDQKJJI-UHFFFAOYSA-N -1 3 383.383 3.163 20 0 GGADHM CCOc1ccccc1OCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000821436885 599223101 /nfs/dbraw/zinc/22/31/01/599223101.db2.gz HBPYSKDHXOOPCJ-UHFFFAOYSA-N -1 3 386.477 3.456 20 0 GGADHM CCOc1ccccc1OCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000821436885 599223104 /nfs/dbraw/zinc/22/31/04/599223104.db2.gz HBPYSKDHXOOPCJ-UHFFFAOYSA-N -1 3 386.477 3.456 20 0 GGADHM COc1cccc(NC(=O)CCSCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821873860 599223746 /nfs/dbraw/zinc/22/37/46/599223746.db2.gz ZDPDMYPYINBHNZ-UHFFFAOYSA-N -1 3 399.476 3.016 20 0 GGADHM COc1cccc(NC(=O)CCSCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821873860 599223747 /nfs/dbraw/zinc/22/37/47/599223747.db2.gz ZDPDMYPYINBHNZ-UHFFFAOYSA-N -1 3 399.476 3.016 20 0 GGADHM COc1cccc(NC(=O)CCSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821872067 599223760 /nfs/dbraw/zinc/22/37/60/599223760.db2.gz IFRZGTIBKUZBLO-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM COc1cccc(NC(=O)CCSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821872067 599223761 /nfs/dbraw/zinc/22/37/61/599223761.db2.gz IFRZGTIBKUZBLO-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM Cc1ccc(N2CC[C@@H](SCCOc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822241540 599223862 /nfs/dbraw/zinc/22/38/62/599223862.db2.gz ZHSCOTJDIWIQFU-GOSISDBHSA-N -1 3 395.488 3.093 20 0 GGADHM Cc1ccc(N2CC[C@@H](SCCOc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822241540 599223865 /nfs/dbraw/zinc/22/38/65/599223865.db2.gz ZHSCOTJDIWIQFU-GOSISDBHSA-N -1 3 395.488 3.093 20 0 GGADHM Cc1ccc(N2CC[C@H](SCc3ccc(F)cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822240849 599223880 /nfs/dbraw/zinc/22/38/80/599223880.db2.gz BEDZZMIXSXGCOF-KRWDZBQOSA-N -1 3 383.452 3.353 20 0 GGADHM Cc1ccc(N2CC[C@H](SCc3ccc(F)cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822240849 599223883 /nfs/dbraw/zinc/22/38/83/599223883.db2.gz BEDZZMIXSXGCOF-KRWDZBQOSA-N -1 3 383.452 3.353 20 0 GGADHM CC[C@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736402308 599224567 /nfs/dbraw/zinc/22/45/67/599224567.db2.gz MVVISVUBSKULGM-HNNXBMFYSA-N -1 3 388.541 3.318 20 0 GGADHM CC[C@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000736402308 599224568 /nfs/dbraw/zinc/22/45/68/599224568.db2.gz MVVISVUBSKULGM-HNNXBMFYSA-N -1 3 388.541 3.318 20 0 GGADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1CCC[C@@H]2CCC[C@H]21 ZINC000738257535 599225643 /nfs/dbraw/zinc/22/56/43/599225643.db2.gz GPFWQCBUTJYSQF-KBXCAEBGSA-N -1 3 393.447 3.443 20 0 GGADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826511746 608290302 /nfs/dbraw/zinc/29/03/02/608290302.db2.gz CCZGUILLWVOFQU-UHFFFAOYSA-N -1 3 397.895 3.401 20 0 GGADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826511746 608290305 /nfs/dbraw/zinc/29/03/05/608290305.db2.gz CCZGUILLWVOFQU-UHFFFAOYSA-N -1 3 397.895 3.401 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736181789 599226168 /nfs/dbraw/zinc/22/61/68/599226168.db2.gz ALRZSZPHFMEGPG-HNNXBMFYSA-N -1 3 379.464 3.019 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736181789 599226170 /nfs/dbraw/zinc/22/61/70/599226170.db2.gz ALRZSZPHFMEGPG-HNNXBMFYSA-N -1 3 379.464 3.019 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818478463 596933672 /nfs/dbraw/zinc/93/36/72/596933672.db2.gz MAUWKKZRMOLYDN-UHFFFAOYSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736199474 599230273 /nfs/dbraw/zinc/23/02/73/599230273.db2.gz PNBSHQCJODNZQJ-AWEZNQCLSA-N -1 3 396.882 3.039 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736199474 599230278 /nfs/dbraw/zinc/23/02/78/599230278.db2.gz PNBSHQCJODNZQJ-AWEZNQCLSA-N -1 3 396.882 3.039 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737251175 599230882 /nfs/dbraw/zinc/23/08/82/599230882.db2.gz BIVSKAUIOOSAOB-HNNXBMFYSA-N -1 3 381.505 3.323 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251175 599230883 /nfs/dbraw/zinc/23/08/83/599230883.db2.gz BIVSKAUIOOSAOB-HNNXBMFYSA-N -1 3 381.505 3.323 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000151411644 607261822 /nfs/dbraw/zinc/26/18/22/607261822.db2.gz BFMAKERFOHXBPQ-UHFFFAOYSA-N -1 3 380.795 3.329 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000151411644 607261823 /nfs/dbraw/zinc/26/18/23/607261823.db2.gz BFMAKERFOHXBPQ-UHFFFAOYSA-N -1 3 380.795 3.329 20 0 GGADHM COc1cccc(N2CCC[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)c1 ZINC000737137786 599231398 /nfs/dbraw/zinc/23/13/98/599231398.db2.gz DZBCHROVXLABTI-ZDUSSCGKSA-N -1 3 385.859 3.005 20 0 GGADHM COc1cccc(N2CCC[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)c1 ZINC000737137786 599231400 /nfs/dbraw/zinc/23/14/00/599231400.db2.gz DZBCHROVXLABTI-ZDUSSCGKSA-N -1 3 385.859 3.005 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000737269652 599231641 /nfs/dbraw/zinc/23/16/41/599231641.db2.gz FIFFOFDJHKRGBZ-AWEZNQCLSA-N -1 3 387.850 3.444 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000737269652 599231642 /nfs/dbraw/zinc/23/16/42/599231642.db2.gz FIFFOFDJHKRGBZ-AWEZNQCLSA-N -1 3 387.850 3.444 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1OC(F)F ZINC000737941773 599232407 /nfs/dbraw/zinc/23/24/07/599232407.db2.gz RDCANSNQNAWODJ-UHFFFAOYSA-N -1 3 395.366 3.338 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1OC(F)F ZINC000737941773 599232410 /nfs/dbraw/zinc/23/24/10/599232410.db2.gz RDCANSNQNAWODJ-UHFFFAOYSA-N -1 3 395.366 3.338 20 0 GGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000736009121 599232761 /nfs/dbraw/zinc/23/27/61/599232761.db2.gz WIDYWGBEQCDGSG-BSYHEUMXSA-N -1 3 383.839 3.117 20 0 GGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000736009121 599232763 /nfs/dbraw/zinc/23/27/63/599232763.db2.gz WIDYWGBEQCDGSG-BSYHEUMXSA-N -1 3 383.839 3.117 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737172921 599232982 /nfs/dbraw/zinc/23/29/82/599232982.db2.gz LTGVXUNAPJOLND-VWLOTQADSA-N -1 3 379.848 3.150 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737172921 599232985 /nfs/dbraw/zinc/23/29/85/599232985.db2.gz LTGVXUNAPJOLND-VWLOTQADSA-N -1 3 379.848 3.150 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736353657 599233171 /nfs/dbraw/zinc/23/31/71/599233171.db2.gz PEYOQAIAONAKRP-SJLPKXTDSA-N -1 3 393.491 3.422 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736353657 599233173 /nfs/dbraw/zinc/23/31/73/599233173.db2.gz PEYOQAIAONAKRP-SJLPKXTDSA-N -1 3 393.491 3.422 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000738291483 599227865 /nfs/dbraw/zinc/22/78/65/599227865.db2.gz GYPCCBUVQDJZJS-UHFFFAOYSA-N -1 3 385.346 3.272 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000738291483 599227869 /nfs/dbraw/zinc/22/78/69/599227869.db2.gz GYPCCBUVQDJZJS-UHFFFAOYSA-N -1 3 385.346 3.272 20 0 GGADHM CC[C@H](NC(=S)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccs1 ZINC000820919985 599228358 /nfs/dbraw/zinc/22/83/58/599228358.db2.gz INHMZHLFCNZARV-ZDUSSCGKSA-N -1 3 376.486 3.183 20 0 GGADHM CC[C@H](NC(=S)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccs1 ZINC000820919985 599228361 /nfs/dbraw/zinc/22/83/61/599228361.db2.gz INHMZHLFCNZARV-ZDUSSCGKSA-N -1 3 376.486 3.183 20 0 GGADHM CCN(c1ccccc1)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736564347 599228477 /nfs/dbraw/zinc/22/84/77/599228477.db2.gz DURNOXMDYUBEME-UHFFFAOYSA-N -1 3 399.458 3.350 20 0 GGADHM CCN(c1ccccc1)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736564347 599228480 /nfs/dbraw/zinc/22/84/80/599228480.db2.gz DURNOXMDYUBEME-UHFFFAOYSA-N -1 3 399.458 3.350 20 0 GGADHM Fc1ccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000822778711 599229220 /nfs/dbraw/zinc/22/92/20/599229220.db2.gz NCHJROHIJQPJGA-UHFFFAOYSA-N -1 3 380.811 3.285 20 0 GGADHM Fc1ccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000822778711 599229223 /nfs/dbraw/zinc/22/92/23/599229223.db2.gz NCHJROHIJQPJGA-UHFFFAOYSA-N -1 3 380.811 3.285 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccc(Cl)cc1 ZINC000819803991 607268536 /nfs/dbraw/zinc/26/85/36/607268536.db2.gz SBCAFTMTHYVVMQ-KRWDZBQOSA-N -1 3 398.854 3.035 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccc(Cl)cc1 ZINC000819803991 607268537 /nfs/dbraw/zinc/26/85/37/607268537.db2.gz SBCAFTMTHYVVMQ-KRWDZBQOSA-N -1 3 398.854 3.035 20 0 GGADHM CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000821026960 599234926 /nfs/dbraw/zinc/23/49/26/599234926.db2.gz INCUIJCHPAKGND-INIZCTEOSA-N -1 3 383.905 3.111 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc2c(c1)COC2 ZINC000820151865 607265861 /nfs/dbraw/zinc/26/58/61/607265861.db2.gz PJIHMSNJBWEFJQ-UHFFFAOYSA-N -1 3 394.435 3.006 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc2c(c1)COC2 ZINC000820151865 607265862 /nfs/dbraw/zinc/26/58/62/607265862.db2.gz PJIHMSNJBWEFJQ-UHFFFAOYSA-N -1 3 394.435 3.006 20 0 GGADHM C[C@H](NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000820403752 599237958 /nfs/dbraw/zinc/23/79/58/599237958.db2.gz MCPJQYIBWKKKHS-PGBBXINNSA-N -1 3 382.537 3.361 20 0 GGADHM C[C@H](NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000820403752 599237960 /nfs/dbraw/zinc/23/79/60/599237960.db2.gz MCPJQYIBWKKKHS-PGBBXINNSA-N -1 3 382.537 3.361 20 0 GGADHM CCCCCC[C@@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736448503 599238700 /nfs/dbraw/zinc/23/87/00/599238700.db2.gz ZDQVHDDLKRPDDD-OAHLLOKOSA-N -1 3 388.491 3.261 20 0 GGADHM CCCCCC[C@@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736448503 599238702 /nfs/dbraw/zinc/23/87/02/599238702.db2.gz ZDQVHDDLKRPDDD-OAHLLOKOSA-N -1 3 388.491 3.261 20 0 GGADHM Cc1c(NC(=O)c2ccc(OCc3ccccc3)nc2)cccc1-c1nnn[n-]1 ZINC000822107863 607268126 /nfs/dbraw/zinc/26/81/26/607268126.db2.gz FQCULUMVSZKHJY-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1c(NC(=O)c2ccc(OCc3ccccc3)nc2)cccc1-c1nn[n-]n1 ZINC000822107863 607268127 /nfs/dbraw/zinc/26/81/27/607268127.db2.gz FQCULUMVSZKHJY-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1c(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cccc1-c1nnn[n-]1 ZINC000822075283 607269750 /nfs/dbraw/zinc/26/97/50/607269750.db2.gz ATMDOTBQEGHHIF-UHFFFAOYSA-N -1 3 378.367 3.150 20 0 GGADHM Cc1c(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cccc1-c1nn[n-]n1 ZINC000822075283 607269751 /nfs/dbraw/zinc/26/97/51/607269751.db2.gz ATMDOTBQEGHHIF-UHFFFAOYSA-N -1 3 378.367 3.150 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736812957 599239864 /nfs/dbraw/zinc/23/98/64/599239864.db2.gz IPECDPDAEAETRS-UHFFFAOYSA-N -1 3 378.480 3.277 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736812957 599239865 /nfs/dbraw/zinc/23/98/65/599239865.db2.gz IPECDPDAEAETRS-UHFFFAOYSA-N -1 3 378.480 3.277 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736820079 599239980 /nfs/dbraw/zinc/23/99/80/599239980.db2.gz LAAMQTYSIIERQQ-UHFFFAOYSA-N -1 3 378.480 3.277 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736820079 599239982 /nfs/dbraw/zinc/23/99/82/599239982.db2.gz LAAMQTYSIIERQQ-UHFFFAOYSA-N -1 3 378.480 3.277 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)Cc1ccccc1 ZINC000737061928 599241465 /nfs/dbraw/zinc/24/14/65/599241465.db2.gz GUDJNLZBBAUSGE-UHFFFAOYSA-N -1 3 380.452 3.266 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)Cc1ccccc1 ZINC000737061928 599241467 /nfs/dbraw/zinc/24/14/67/599241467.db2.gz GUDJNLZBBAUSGE-UHFFFAOYSA-N -1 3 380.452 3.266 20 0 GGADHM Cc1c(NCCCOc2ccc(-c3nn[n-]n3)cc2)cccc1N1CCOC1=O ZINC000822121715 599241533 /nfs/dbraw/zinc/24/15/33/599241533.db2.gz GDCYSPOPLTWXGR-UHFFFAOYSA-N -1 3 394.435 3.013 20 0 GGADHM COC(=O)N(C)Cc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736931920 599242062 /nfs/dbraw/zinc/24/20/62/599242062.db2.gz CXGMCXOVCKVTDW-UHFFFAOYSA-N -1 3 395.423 3.017 20 0 GGADHM COC(=O)N(C)Cc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736931920 599242064 /nfs/dbraw/zinc/24/20/64/599242064.db2.gz CXGMCXOVCKVTDW-UHFFFAOYSA-N -1 3 395.423 3.017 20 0 GGADHM Cc1nc([C@@H]2CCCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2)sc1C ZINC000737473574 599242077 /nfs/dbraw/zinc/24/20/77/599242077.db2.gz DKYSIEGPJUPLES-QGZVFWFLSA-N -1 3 396.520 3.279 20 0 GGADHM Cc1nc([C@@H]2CCCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2)sc1C ZINC000737473574 599242079 /nfs/dbraw/zinc/24/20/79/599242079.db2.gz DKYSIEGPJUPLES-QGZVFWFLSA-N -1 3 396.520 3.279 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000823238047 599242155 /nfs/dbraw/zinc/24/21/55/599242155.db2.gz HNEVUGLRTNPLGJ-UHFFFAOYSA-N -1 3 396.304 3.226 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000823238047 599242157 /nfs/dbraw/zinc/24/21/57/599242157.db2.gz HNEVUGLRTNPLGJ-UHFFFAOYSA-N -1 3 396.304 3.226 20 0 GGADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1OCC(C)C ZINC000821702973 607270333 /nfs/dbraw/zinc/27/03/33/607270333.db2.gz JJSKBLQODNBJJZ-UHFFFAOYSA-N -1 3 381.436 3.471 20 0 GGADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1OCC(C)C ZINC000821702973 607270334 /nfs/dbraw/zinc/27/03/34/607270334.db2.gz JJSKBLQODNBJJZ-UHFFFAOYSA-N -1 3 381.436 3.471 20 0 GGADHM Cc1c(NC(=O)c2ccc(OCc3cccnc3)cc2)cccc1-c1nnn[n-]1 ZINC000822108500 607269065 /nfs/dbraw/zinc/26/90/65/607269065.db2.gz KFQXFYYDVIHKJK-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1c(NC(=O)c2ccc(OCc3cccnc3)cc2)cccc1-c1nn[n-]n1 ZINC000822108500 607269066 /nfs/dbraw/zinc/26/90/66/607269066.db2.gz KFQXFYYDVIHKJK-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233371 599246315 /nfs/dbraw/zinc/24/63/15/599246315.db2.gz NIXCVNPROJBQMP-PKOBYXMFSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233371 599246317 /nfs/dbraw/zinc/24/63/17/599246317.db2.gz NIXCVNPROJBQMP-PKOBYXMFSA-N -1 3 392.463 3.465 20 0 GGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1csc(Cc2ccccc2F)n1 ZINC000738212507 599246948 /nfs/dbraw/zinc/24/69/48/599246948.db2.gz WBSPTBCUEDIBLM-UHFFFAOYSA-N -1 3 386.437 3.367 20 0 GGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1csc(Cc2ccccc2F)n1 ZINC000738212507 599246951 /nfs/dbraw/zinc/24/69/51/599246951.db2.gz WBSPTBCUEDIBLM-UHFFFAOYSA-N -1 3 386.437 3.367 20 0 GGADHM CCC(CC)n1nccc1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000820902234 607274126 /nfs/dbraw/zinc/27/41/26/607274126.db2.gz ITXNTGPXYVBIOD-UHFFFAOYSA-N -1 3 399.524 3.088 20 0 GGADHM CCC(CC)n1nccc1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000820902234 607274127 /nfs/dbraw/zinc/27/41/27/607274127.db2.gz ITXNTGPXYVBIOD-UHFFFAOYSA-N -1 3 399.524 3.088 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737762268 597197196 /nfs/dbraw/zinc/19/71/96/597197196.db2.gz FXFASTROCDDOHE-QGZVFWFLSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000818102149 597198787 /nfs/dbraw/zinc/19/87/87/597198787.db2.gz LYMGLNLIUULGDI-QGZVFWFLSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000736233072 599248549 /nfs/dbraw/zinc/24/85/49/599248549.db2.gz FDRLMPKKSODXFA-LPMFXHHGSA-N -1 3 395.438 3.383 20 0 GGADHM O=C(/C=C\C1CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737796322 599249090 /nfs/dbraw/zinc/24/90/90/599249090.db2.gz NWQPORJWWKLFQH-KTKRTIGZSA-N -1 3 381.480 3.373 20 0 GGADHM O=C(/C=C\C1CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737796322 599249092 /nfs/dbraw/zinc/24/90/92/599249092.db2.gz NWQPORJWWKLFQH-KTKRTIGZSA-N -1 3 381.480 3.373 20 0 GGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736236922 599249285 /nfs/dbraw/zinc/24/92/85/599249285.db2.gz UEVAZKQLEXOWEC-ACJLOTCBSA-N -1 3 380.427 3.027 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCCC2 ZINC000821358869 599250115 /nfs/dbraw/zinc/25/01/15/599250115.db2.gz LCLFIQYLPLEXQD-GJZGRUSLSA-N -1 3 390.875 3.379 20 0 GGADHM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCCC2 ZINC000821358869 599250118 /nfs/dbraw/zinc/25/01/18/599250118.db2.gz LCLFIQYLPLEXQD-GJZGRUSLSA-N -1 3 390.875 3.379 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCOC[C@@H]1c1ccccc1 ZINC000823303520 599250833 /nfs/dbraw/zinc/25/08/33/599250833.db2.gz LGDGKDXMODEEAK-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCOC[C@@H]1c1ccccc1 ZINC000823303520 599250836 /nfs/dbraw/zinc/25/08/36/599250836.db2.gz LGDGKDXMODEEAK-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379986 599251197 /nfs/dbraw/zinc/25/11/97/599251197.db2.gz JNMIURMVPKAVMW-GFCCVEGCSA-N -1 3 391.435 3.098 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379986 599251198 /nfs/dbraw/zinc/25/11/98/599251198.db2.gz JNMIURMVPKAVMW-GFCCVEGCSA-N -1 3 391.435 3.098 20 0 GGADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cc2sc3ccccc3c2s1 ZINC000738195617 599251547 /nfs/dbraw/zinc/25/15/47/599251547.db2.gz NWJXPMARLXEWNJ-UHFFFAOYSA-N -1 3 378.442 3.365 20 0 GGADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cc2sc3ccccc3c2s1 ZINC000738195617 599251550 /nfs/dbraw/zinc/25/15/50/599251550.db2.gz NWJXPMARLXEWNJ-UHFFFAOYSA-N -1 3 378.442 3.365 20 0 GGADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cccc1-c1nnn[n-]1 ZINC000822084934 607280578 /nfs/dbraw/zinc/28/05/78/607280578.db2.gz SSXAKNZJWVQSJN-OAHLLOKOSA-N -1 3 380.427 3.411 20 0 GGADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cccc1-c1nn[n-]n1 ZINC000822084934 607280579 /nfs/dbraw/zinc/28/05/79/607280579.db2.gz SSXAKNZJWVQSJN-OAHLLOKOSA-N -1 3 380.427 3.411 20 0 GGADHM Cc1c(NC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822084360 607288226 /nfs/dbraw/zinc/28/82/26/607288226.db2.gz KHSNFMSSCXXISQ-UHFFFAOYSA-N -1 3 388.435 3.133 20 0 GGADHM Cc1c(NC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822084360 607288227 /nfs/dbraw/zinc/28/82/27/607288227.db2.gz KHSNFMSSCXXISQ-UHFFFAOYSA-N -1 3 388.435 3.133 20 0 GGADHM COc1cccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c1 ZINC000737131953 599255101 /nfs/dbraw/zinc/25/51/01/599255101.db2.gz SDHMNBOFCVRGTH-UHFFFAOYSA-N -1 3 382.374 3.338 20 0 GGADHM COc1cccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c1 ZINC000737131953 599255104 /nfs/dbraw/zinc/25/51/04/599255104.db2.gz SDHMNBOFCVRGTH-UHFFFAOYSA-N -1 3 382.374 3.338 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccccc1CC(=O)[O-])N1CCc2ccccc2C1 ZINC000818140768 597324827 /nfs/dbraw/zinc/32/48/27/597324827.db2.gz KTUULXNSXDHBFJ-IBGZPJMESA-N -1 3 381.476 3.272 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000822091117 607289112 /nfs/dbraw/zinc/28/91/12/607289112.db2.gz OJHPRWHEZQPPNT-ROUUACIJSA-N -1 3 396.426 3.356 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC000822091117 607289113 /nfs/dbraw/zinc/28/91/13/607289113.db2.gz OJHPRWHEZQPPNT-ROUUACIJSA-N -1 3 396.426 3.356 20 0 GGADHM Cc1cc(C(=O)Nc2ccncc2-c2nnn[n-]2)sc1-c1ccc(F)cc1 ZINC000737238044 599256007 /nfs/dbraw/zinc/25/60/07/599256007.db2.gz HRXFUUPXFFJKAQ-UHFFFAOYSA-N -1 3 380.408 3.112 20 0 GGADHM Cc1cc(C(=O)Nc2ccncc2-c2nn[n-]n2)sc1-c1ccc(F)cc1 ZINC000737238044 599256008 /nfs/dbraw/zinc/25/60/08/599256008.db2.gz HRXFUUPXFFJKAQ-UHFFFAOYSA-N -1 3 380.408 3.112 20 0 GGADHM Cc1c(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822076283 607283981 /nfs/dbraw/zinc/28/39/81/607283981.db2.gz NFICTJIYKFOVLU-LJQANCHMSA-N -1 3 392.463 3.079 20 0 GGADHM Cc1c(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822076283 607283982 /nfs/dbraw/zinc/28/39/82/607283982.db2.gz NFICTJIYKFOVLU-LJQANCHMSA-N -1 3 392.463 3.079 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821850219 607287379 /nfs/dbraw/zinc/28/73/79/607287379.db2.gz ZPXXTPWZVHWDSL-GOSISDBHSA-N -1 3 378.436 3.383 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821850219 607287380 /nfs/dbraw/zinc/28/73/80/607287380.db2.gz ZPXXTPWZVHWDSL-GOSISDBHSA-N -1 3 378.436 3.383 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C12CCCC2 ZINC000821357785 607289727 /nfs/dbraw/zinc/28/97/27/607289727.db2.gz FPYXUTUVXAJNRP-DLBZAZTESA-N -1 3 384.484 3.377 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C12CCCC2 ZINC000821357785 607289728 /nfs/dbraw/zinc/28/97/28/607289728.db2.gz FPYXUTUVXAJNRP-DLBZAZTESA-N -1 3 384.484 3.377 20 0 GGADHM COc1ccccc1C(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821882657 607290634 /nfs/dbraw/zinc/29/06/34/607290634.db2.gz HCMOXHHJKYGUNE-UHFFFAOYSA-N -1 3 380.452 3.283 20 0 GGADHM COc1ccccc1C(C)(C)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821882657 607290635 /nfs/dbraw/zinc/29/06/35/607290635.db2.gz HCMOXHHJKYGUNE-UHFFFAOYSA-N -1 3 380.452 3.283 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2ccccc2N2CCCC2)cccc1-c1nnn[n-]1 ZINC000822076067 607290676 /nfs/dbraw/zinc/29/06/76/607290676.db2.gz LHFXQSZYBABUEQ-UHFFFAOYSA-N -1 3 391.479 3.439 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2ccccc2N2CCCC2)cccc1-c1nn[n-]n1 ZINC000822076067 607290677 /nfs/dbraw/zinc/29/06/77/607290677.db2.gz LHFXQSZYBABUEQ-UHFFFAOYSA-N -1 3 391.479 3.439 20 0 GGADHM Cc1c(NC(=O)NCCc2ccc(OC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822096784 607290809 /nfs/dbraw/zinc/29/08/09/607290809.db2.gz RDSTYZYYLIWFCA-UHFFFAOYSA-N -1 3 380.452 3.327 20 0 GGADHM Cc1c(NC(=O)NCCc2ccc(OC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822096784 607290810 /nfs/dbraw/zinc/29/08/10/607290810.db2.gz RDSTYZYYLIWFCA-UHFFFAOYSA-N -1 3 380.452 3.327 20 0 GGADHM O=C(/C=C/C1CCCCC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737796429 599262427 /nfs/dbraw/zinc/26/24/27/599262427.db2.gz OJAJYMNKPAQIAS-VAWYXSNFSA-N -1 3 380.496 3.042 20 0 GGADHM O=C(/C=C/C1CCCCC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737796429 599262431 /nfs/dbraw/zinc/26/24/31/599262431.db2.gz OJAJYMNKPAQIAS-VAWYXSNFSA-N -1 3 380.496 3.042 20 0 GGADHM Cc1c(NC(=O)NCCc2ccc(OC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822095667 607290916 /nfs/dbraw/zinc/29/09/16/607290916.db2.gz GHZZRBQUKMZQQG-UHFFFAOYSA-N -1 3 388.378 3.141 20 0 GGADHM Cc1c(NC(=O)NCCc2ccc(OC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822095667 607290917 /nfs/dbraw/zinc/29/09/17/607290917.db2.gz GHZZRBQUKMZQQG-UHFFFAOYSA-N -1 3 388.378 3.141 20 0 GGADHM Cc1c(NC(=O)NCc2cc(Br)cs2)cccc1-c1nnn[n-]1 ZINC000822104633 607291091 /nfs/dbraw/zinc/29/10/91/607291091.db2.gz PHLJPZYHTQXNPW-UHFFFAOYSA-N -1 3 393.270 3.321 20 0 GGADHM Cc1c(NC(=O)NCc2cc(Br)cs2)cccc1-c1nn[n-]n1 ZINC000822104633 607291092 /nfs/dbraw/zinc/29/10/92/607291092.db2.gz PHLJPZYHTQXNPW-UHFFFAOYSA-N -1 3 393.270 3.321 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736183343 599259026 /nfs/dbraw/zinc/25/90/26/599259026.db2.gz KJOOSGDEJRNHOS-AWEZNQCLSA-N -1 3 383.496 3.499 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736183343 599259029 /nfs/dbraw/zinc/25/90/29/599259029.db2.gz KJOOSGDEJRNHOS-AWEZNQCLSA-N -1 3 383.496 3.499 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(Br)c1 ZINC000821772518 607294925 /nfs/dbraw/zinc/29/49/25/607294925.db2.gz DIQNNQJOHOSOIN-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(Br)c1 ZINC000821772518 607294926 /nfs/dbraw/zinc/29/49/26/607294926.db2.gz DIQNNQJOHOSOIN-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM Cc1cc(Cl)cc2c1N(C(=O)COc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737263603 599259486 /nfs/dbraw/zinc/25/94/86/599259486.db2.gz MLDSRMWKOMGFTJ-UHFFFAOYSA-N -1 3 383.839 3.187 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820882468 607295366 /nfs/dbraw/zinc/29/53/66/607295366.db2.gz RPTYVANWIUPZMD-LBPRGKRZSA-N -1 3 390.451 3.452 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820882468 607295367 /nfs/dbraw/zinc/29/53/67/607295367.db2.gz RPTYVANWIUPZMD-LBPRGKRZSA-N -1 3 390.451 3.452 20 0 GGADHM Cc1c(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822061521 607296692 /nfs/dbraw/zinc/29/66/92/607296692.db2.gz OWWABZAHOIUHBK-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM Cc1c(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822061521 607296693 /nfs/dbraw/zinc/29/66/93/607296693.db2.gz OWWABZAHOIUHBK-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM Cc1c(NC(=O)c2csc(Nc3ccccn3)n2)cccc1-c1nnn[n-]1 ZINC000822115386 607296822 /nfs/dbraw/zinc/29/68/22/607296822.db2.gz DVNCMMXDIWZYEA-UHFFFAOYSA-N -1 3 378.421 3.023 20 0 GGADHM Cc1c(NC(=O)c2csc(Nc3ccccn3)n2)cccc1-c1nn[n-]n1 ZINC000822115386 607296823 /nfs/dbraw/zinc/29/68/23/607296823.db2.gz DVNCMMXDIWZYEA-UHFFFAOYSA-N -1 3 378.421 3.023 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000822954781 607298573 /nfs/dbraw/zinc/29/85/73/607298573.db2.gz CSCXMOFMKKEASZ-UHFFFAOYSA-N -1 3 384.827 3.268 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000822954781 607298574 /nfs/dbraw/zinc/29/85/74/607298574.db2.gz CSCXMOFMKKEASZ-UHFFFAOYSA-N -1 3 384.827 3.268 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCS[C@H](c2ccccc2)C1 ZINC000737853700 599260688 /nfs/dbraw/zinc/26/06/88/599260688.db2.gz SRCMVHTVBKQZER-SFHVURJKSA-N -1 3 379.489 3.116 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCS[C@H](c2ccccc2)C1 ZINC000737853700 599260690 /nfs/dbraw/zinc/26/06/90/599260690.db2.gz SRCMVHTVBKQZER-SFHVURJKSA-N -1 3 379.489 3.116 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196868 599260837 /nfs/dbraw/zinc/26/08/37/599260837.db2.gz ZHYUBKQJVUKHBR-JKSUJKDBSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196868 599260839 /nfs/dbraw/zinc/26/08/39/599260839.db2.gz ZHYUBKQJVUKHBR-JKSUJKDBSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1cccc(O[C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822329138 599260881 /nfs/dbraw/zinc/26/08/81/599260881.db2.gz ZDKINDXRWHGSKS-LSDHHAIUSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1cccc(O[C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822329138 599260884 /nfs/dbraw/zinc/26/08/84/599260884.db2.gz ZDKINDXRWHGSKS-LSDHHAIUSA-N -1 3 380.452 3.003 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000820152423 599260930 /nfs/dbraw/zinc/26/09/30/599260930.db2.gz XOQFUSGWWHKSEJ-RYUDHWBXSA-N -1 3 376.486 3.012 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000820152423 599260931 /nfs/dbraw/zinc/26/09/31/599260931.db2.gz XOQFUSGWWHKSEJ-RYUDHWBXSA-N -1 3 376.486 3.012 20 0 GGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820678607 607301284 /nfs/dbraw/zinc/30/12/84/607301284.db2.gz WINBDCLIGLLUMF-VKJFTORMSA-N -1 3 396.495 3.155 20 0 GGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820678607 607301285 /nfs/dbraw/zinc/30/12/85/607301285.db2.gz WINBDCLIGLLUMF-VKJFTORMSA-N -1 3 396.495 3.155 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1CSc2ccccc21 ZINC000737833509 599263395 /nfs/dbraw/zinc/26/33/95/599263395.db2.gz UWZHQMXOHTWSPH-KRWDZBQOSA-N -1 3 395.488 3.379 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1CSc2ccccc21 ZINC000737833509 599263397 /nfs/dbraw/zinc/26/33/97/599263397.db2.gz UWZHQMXOHTWSPH-KRWDZBQOSA-N -1 3 395.488 3.379 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000820151614 599263701 /nfs/dbraw/zinc/26/37/01/599263701.db2.gz JTYQTEXUHONYEW-UHFFFAOYSA-N -1 3 398.389 3.460 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000820151614 599263702 /nfs/dbraw/zinc/26/37/02/599263702.db2.gz JTYQTEXUHONYEW-UHFFFAOYSA-N -1 3 398.389 3.460 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2csnn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374671 599263706 /nfs/dbraw/zinc/26/37/06/599263706.db2.gz PTJFJUXPDITSIY-NSHDSACASA-N -1 3 392.448 3.268 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2csnn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374671 599263708 /nfs/dbraw/zinc/26/37/08/599263708.db2.gz PTJFJUXPDITSIY-NSHDSACASA-N -1 3 392.448 3.268 20 0 GGADHM CS[C@@H]1CC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC000821951120 599263836 /nfs/dbraw/zinc/26/38/36/599263836.db2.gz UWAVGGMFRCVEPJ-QWHCGFSZSA-N -1 3 376.486 3.060 20 0 GGADHM CS[C@@H]1CC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC000821951120 599263838 /nfs/dbraw/zinc/26/38/38/599263838.db2.gz UWAVGGMFRCVEPJ-QWHCGFSZSA-N -1 3 376.486 3.060 20 0 GGADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(OC2CCCC2)c1 ZINC000823757767 607309291 /nfs/dbraw/zinc/30/92/91/607309291.db2.gz URXWLAOZRDUZKX-UHFFFAOYSA-N -1 3 375.436 3.448 20 0 GGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cccc(OC2CCCC2)c1 ZINC000823757767 607309292 /nfs/dbraw/zinc/30/92/92/607309292.db2.gz URXWLAOZRDUZKX-UHFFFAOYSA-N -1 3 375.436 3.448 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000821406143 599264797 /nfs/dbraw/zinc/26/47/97/599264797.db2.gz AJGVKDSELXDBHB-HNNXBMFYSA-N -1 3 399.480 3.303 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000821406143 599264799 /nfs/dbraw/zinc/26/47/99/599264799.db2.gz AJGVKDSELXDBHB-HNNXBMFYSA-N -1 3 399.480 3.303 20 0 GGADHM FC(F)(F)c1csc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822728713 607304840 /nfs/dbraw/zinc/30/48/40/607304840.db2.gz KILZWWFHYHXGMR-UHFFFAOYSA-N -1 3 396.398 3.390 20 0 GGADHM CC(C)(CCO)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819981571 599266321 /nfs/dbraw/zinc/26/63/21/599266321.db2.gz ZCHJJFAIBKZWIQ-UHFFFAOYSA-N -1 3 396.451 3.189 20 0 GGADHM CC(C)(CCO)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819981571 599266323 /nfs/dbraw/zinc/26/63/23/599266323.db2.gz ZCHJJFAIBKZWIQ-UHFFFAOYSA-N -1 3 396.451 3.189 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819950292 607316543 /nfs/dbraw/zinc/31/65/43/607316543.db2.gz HREVOVOXMIRQJX-UHFFFAOYSA-N -1 3 391.522 3.254 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000821406478 599267049 /nfs/dbraw/zinc/26/70/49/599267049.db2.gz FVRPJLDZGTVOKX-INIZCTEOSA-N -1 3 392.463 3.362 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000821406478 599267050 /nfs/dbraw/zinc/26/70/50/599267050.db2.gz FVRPJLDZGTVOKX-INIZCTEOSA-N -1 3 392.463 3.362 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)CCSCC ZINC000821406208 599267299 /nfs/dbraw/zinc/26/72/99/599267299.db2.gz CQRIHTKCUYKTHH-GFCCVEGCSA-N -1 3 378.502 3.261 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)CCSCC ZINC000821406208 599267301 /nfs/dbraw/zinc/26/73/01/599267301.db2.gz CQRIHTKCUYKTHH-GFCCVEGCSA-N -1 3 378.502 3.261 20 0 GGADHM COCc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000737022534 599267543 /nfs/dbraw/zinc/26/75/43/599267543.db2.gz WMPPLXOFDFSJCQ-UHFFFAOYSA-N -1 3 380.839 3.249 20 0 GGADHM COCc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000737022534 599267545 /nfs/dbraw/zinc/26/75/45/599267545.db2.gz WMPPLXOFDFSJCQ-UHFFFAOYSA-N -1 3 380.839 3.249 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000821777563 599269315 /nfs/dbraw/zinc/26/93/15/599269315.db2.gz IFSNTSUFROMEMP-CYBMUJFWSA-N -1 3 380.452 3.499 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000821777563 599269316 /nfs/dbraw/zinc/26/93/16/599269316.db2.gz IFSNTSUFROMEMP-CYBMUJFWSA-N -1 3 380.452 3.499 20 0 GGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1F ZINC000737096355 599270856 /nfs/dbraw/zinc/27/08/56/599270856.db2.gz UEWHUHCGVLQCRU-UHFFFAOYSA-N -1 3 384.802 3.250 20 0 GGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1F ZINC000737096355 599270859 /nfs/dbraw/zinc/27/08/59/599270859.db2.gz UEWHUHCGVLQCRU-UHFFFAOYSA-N -1 3 384.802 3.250 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000821762263 599271773 /nfs/dbraw/zinc/27/17/73/599271773.db2.gz JDZZHBRDRAWTRH-CQSZACIVSA-N -1 3 380.452 3.245 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000821762263 599271776 /nfs/dbraw/zinc/27/17/76/599271776.db2.gz JDZZHBRDRAWTRH-CQSZACIVSA-N -1 3 380.452 3.245 20 0 GGADHM CN(Cc1ccc(Br)o1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736816232 599272275 /nfs/dbraw/zinc/27/22/75/599272275.db2.gz BCFYWROGGQPYHT-UHFFFAOYSA-N -1 3 385.225 3.407 20 0 GGADHM CN(Cc1ccc(Br)o1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736816232 599272277 /nfs/dbraw/zinc/27/22/77/599272277.db2.gz BCFYWROGGQPYHT-UHFFFAOYSA-N -1 3 385.225 3.407 20 0 GGADHM CCc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736684490 599272433 /nfs/dbraw/zinc/27/24/33/599272433.db2.gz HMTCYRQOPRWMKP-GUYCJALGSA-N -1 3 380.452 3.186 20 0 GGADHM CC(C)Nc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735891943 599274784 /nfs/dbraw/zinc/27/47/84/599274784.db2.gz ARJYDOYHEZQQPF-LBPRGKRZSA-N -1 3 384.415 3.232 20 0 GGADHM CC(C)Nc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735891943 599274786 /nfs/dbraw/zinc/27/47/86/599274786.db2.gz ARJYDOYHEZQQPF-LBPRGKRZSA-N -1 3 384.415 3.232 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000736488971 599275065 /nfs/dbraw/zinc/27/50/65/599275065.db2.gz WKGAUQGNBOHXNI-UHFFFAOYSA-N -1 3 388.435 3.127 20 0 GGADHM CCSCC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821461441 599276714 /nfs/dbraw/zinc/27/67/14/599276714.db2.gz ONDONFXLPBCSFA-VIFPVBQESA-N -1 3 386.428 3.121 20 0 GGADHM CCSCC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821461441 599276717 /nfs/dbraw/zinc/27/67/17/599276717.db2.gz ONDONFXLPBCSFA-VIFPVBQESA-N -1 3 386.428 3.121 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccco2)on1 ZINC000736487554 599276996 /nfs/dbraw/zinc/27/69/96/599276996.db2.gz HUBVAJYRSIIKSK-UHFFFAOYSA-N -1 3 379.380 3.189 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCCCC1CCCC1 ZINC000822955363 607319618 /nfs/dbraw/zinc/31/96/18/607319618.db2.gz ROHBAFOHAHJXME-UHFFFAOYSA-N -1 3 384.484 3.062 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCCCC1CCCC1 ZINC000822955363 607319619 /nfs/dbraw/zinc/31/96/19/607319619.db2.gz ROHBAFOHAHJXME-UHFFFAOYSA-N -1 3 384.484 3.062 20 0 GGADHM CC(C)c1ccsc1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735931937 599278097 /nfs/dbraw/zinc/27/80/97/599278097.db2.gz GLHDHDIDZUDPQJ-UHFFFAOYSA-N -1 3 396.520 3.450 20 0 GGADHM CC(C)c1ccsc1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735931937 599278100 /nfs/dbraw/zinc/27/81/00/599278100.db2.gz GLHDHDIDZUDPQJ-UHFFFAOYSA-N -1 3 396.520 3.450 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(-n2ccnc2)c1 ZINC000820379601 599278522 /nfs/dbraw/zinc/27/85/22/599278522.db2.gz DWEXOFVBQBHQMD-GFCCVEGCSA-N -1 3 392.398 3.074 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(-n2ccnc2)c1 ZINC000820379601 599278524 /nfs/dbraw/zinc/27/85/24/599278524.db2.gz DWEXOFVBQBHQMD-GFCCVEGCSA-N -1 3 392.398 3.074 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC(C)C)nc1 ZINC000736488436 599278733 /nfs/dbraw/zinc/27/87/33/599278733.db2.gz PYZHAVCITVFNGW-UHFFFAOYSA-N -1 3 381.440 3.123 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737807595 599278875 /nfs/dbraw/zinc/27/88/75/599278875.db2.gz PQWIXASNUCZQDV-CMDGGOBGSA-N -1 3 396.410 3.424 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737807595 599278878 /nfs/dbraw/zinc/27/88/78/599278878.db2.gz PQWIXASNUCZQDV-CMDGGOBGSA-N -1 3 396.410 3.424 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(-c2ccccc2)on1 ZINC000737932419 599280717 /nfs/dbraw/zinc/28/07/17/599280717.db2.gz MBEOCHPCRXGBPJ-UHFFFAOYSA-N -1 3 392.444 3.394 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2ccccc2)on1 ZINC000737932419 599280718 /nfs/dbraw/zinc/28/07/18/599280718.db2.gz MBEOCHPCRXGBPJ-UHFFFAOYSA-N -1 3 392.444 3.394 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000737064705 599281303 /nfs/dbraw/zinc/28/13/03/599281303.db2.gz YDGNOTGEPAYODQ-QGZVFWFLSA-N -1 3 396.476 3.197 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000737064705 599281305 /nfs/dbraw/zinc/28/13/05/599281305.db2.gz YDGNOTGEPAYODQ-QGZVFWFLSA-N -1 3 396.476 3.197 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000737290212 599281388 /nfs/dbraw/zinc/28/13/88/599281388.db2.gz CYBMYWZATSOLFT-QGZVFWFLSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000737290212 599281391 /nfs/dbraw/zinc/28/13/91/599281391.db2.gz CYBMYWZATSOLFT-QGZVFWFLSA-N -1 3 380.477 3.497 20 0 GGADHM COC[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000821684268 599282391 /nfs/dbraw/zinc/28/23/91/599282391.db2.gz WPRWNPPYDUKWNL-SFHVURJKSA-N -1 3 396.451 3.452 20 0 GGADHM COC[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000821684268 599282394 /nfs/dbraw/zinc/28/23/94/599282394.db2.gz WPRWNPPYDUKWNL-SFHVURJKSA-N -1 3 396.451 3.452 20 0 GGADHM COc1ccc(-c2nc(COc3c(C)cc(-c4nn[n-]n4)cc3C)no2)cc1 ZINC000737057008 599282680 /nfs/dbraw/zinc/28/26/80/599282680.db2.gz NVDCDTKPUBDTFI-UHFFFAOYSA-N -1 3 378.392 3.121 20 0 GGADHM CC[C@@](C)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000736312190 599280379 /nfs/dbraw/zinc/28/03/79/599280379.db2.gz AFLNUWREVOVXMA-MRXNPFEDSA-N -1 3 385.390 3.263 20 0 GGADHM CC[C@@](C)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000736312190 599280382 /nfs/dbraw/zinc/28/03/82/599280382.db2.gz AFLNUWREVOVXMA-MRXNPFEDSA-N -1 3 385.390 3.263 20 0 GGADHM C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191939 599285054 /nfs/dbraw/zinc/28/50/54/599285054.db2.gz JVXAXOFKOXZJBD-SNVBAGLBSA-N -1 3 398.883 3.346 20 0 GGADHM C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191939 599285055 /nfs/dbraw/zinc/28/50/55/599285055.db2.gz JVXAXOFKOXZJBD-SNVBAGLBSA-N -1 3 398.883 3.346 20 0 GGADHM Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)sc1C ZINC000737474422 599285531 /nfs/dbraw/zinc/28/55/31/599285531.db2.gz OIBUURQDMJWVHW-CQSZACIVSA-N -1 3 383.481 3.352 20 0 GGADHM Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)sc1C ZINC000737474422 599285533 /nfs/dbraw/zinc/28/55/33/599285533.db2.gz OIBUURQDMJWVHW-CQSZACIVSA-N -1 3 383.481 3.352 20 0 GGADHM CS[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821950507 599289199 /nfs/dbraw/zinc/28/91/99/599289199.db2.gz OCXGPNATBIMZKC-SCZZXKLOSA-N -1 3 386.403 3.291 20 0 GGADHM CS[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821950507 599289201 /nfs/dbraw/zinc/28/92/01/599289201.db2.gz OCXGPNATBIMZKC-SCZZXKLOSA-N -1 3 386.403 3.291 20 0 GGADHM CC(C)c1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)on1 ZINC000820187719 599290723 /nfs/dbraw/zinc/29/07/23/599290723.db2.gz OHJOHYSSTYFZML-UHFFFAOYSA-N -1 3 395.345 3.319 20 0 GGADHM CC(C)c1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)on1 ZINC000820187719 599290726 /nfs/dbraw/zinc/29/07/26/599290726.db2.gz OHJOHYSSTYFZML-UHFFFAOYSA-N -1 3 395.345 3.319 20 0 GGADHM CCCCOCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736460583 599291241 /nfs/dbraw/zinc/29/12/41/599291241.db2.gz NVEPWFYRXVBXKL-UHFFFAOYSA-N -1 3 381.436 3.201 20 0 GGADHM CCCCOCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736460583 599291243 /nfs/dbraw/zinc/29/12/43/599291243.db2.gz NVEPWFYRXVBXKL-UHFFFAOYSA-N -1 3 381.436 3.201 20 0 GGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821009182 607323895 /nfs/dbraw/zinc/32/38/95/607323895.db2.gz OPZRCEWDWNGDIK-LJQANCHMSA-N -1 3 385.399 3.288 20 0 GGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821009182 607323896 /nfs/dbraw/zinc/32/38/96/607323896.db2.gz OPZRCEWDWNGDIK-LJQANCHMSA-N -1 3 385.399 3.288 20 0 GGADHM CC(C)(CO)CCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819983739 607324141 /nfs/dbraw/zinc/32/41/41/607324141.db2.gz DEODVAFMCGLUKA-UHFFFAOYSA-N -1 3 394.479 3.139 20 0 GGADHM CCOc1cccc(CCNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000821426386 607325797 /nfs/dbraw/zinc/32/57/97/607325797.db2.gz DSUMKTRBTOPEAO-UHFFFAOYSA-N -1 3 397.483 3.186 20 0 GGADHM CCOc1cccc(CCNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000821426386 607325798 /nfs/dbraw/zinc/32/57/98/607325798.db2.gz DSUMKTRBTOPEAO-UHFFFAOYSA-N -1 3 397.483 3.186 20 0 GGADHM C[C@H](NC(=O)N1Cc2ccccc2C(F)(F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353043 607341733 /nfs/dbraw/zinc/34/17/33/607341733.db2.gz XHWPPZWXZTZRLV-LBPRGKRZSA-N -1 3 384.390 3.245 20 0 GGADHM C[C@H](NC(=O)N1Cc2ccccc2C(F)(F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353043 607341734 /nfs/dbraw/zinc/34/17/34/607341734.db2.gz XHWPPZWXZTZRLV-LBPRGKRZSA-N -1 3 384.390 3.245 20 0 GGADHM C[C@H](CC(=O)[O-])N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000820072176 598212685 /nfs/dbraw/zinc/21/26/85/598212685.db2.gz OEQVBDWNVZWAQO-KZULUSFZSA-N -1 3 381.881 3.286 20 0 GGADHM CCc1ccc([C@H](N[C@H](C)CC(=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000820479851 598212689 /nfs/dbraw/zinc/21/26/89/598212689.db2.gz DFRWMGYKTVSFCB-VLIAUNLRSA-N -1 3 375.490 3.195 20 0 GGADHM CCC1(C)CCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736395854 598231273 /nfs/dbraw/zinc/23/12/73/598231273.db2.gz JRNYKTIVKZYTFI-UHFFFAOYSA-N -1 3 388.541 3.318 20 0 GGADHM CCC1(C)CCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000736395854 598231275 /nfs/dbraw/zinc/23/12/75/598231275.db2.gz JRNYKTIVKZYTFI-UHFFFAOYSA-N -1 3 388.541 3.318 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)c(F)cc1F ZINC000735736384 598234475 /nfs/dbraw/zinc/23/44/75/598234475.db2.gz UBKOOJLLTIMNDR-MRXNPFEDSA-N -1 3 391.353 3.326 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)c(F)cc1F ZINC000735736384 598234476 /nfs/dbraw/zinc/23/44/76/598234476.db2.gz UBKOOJLLTIMNDR-MRXNPFEDSA-N -1 3 391.353 3.326 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737853246 598235564 /nfs/dbraw/zinc/23/55/64/598235564.db2.gz RITZINQTQNCUAL-UHFFFAOYSA-N -1 3 397.429 3.484 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737853246 598235565 /nfs/dbraw/zinc/23/55/65/598235565.db2.gz RITZINQTQNCUAL-UHFFFAOYSA-N -1 3 397.429 3.484 20 0 GGADHM CC(C)(C)OC(=O)N(CCCNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000735624459 598237918 /nfs/dbraw/zinc/23/79/18/598237918.db2.gz VIERQYIMABTAGA-UHFFFAOYSA-N -1 3 376.436 3.207 20 0 GGADHM CC(C)(C)OC(=O)N(CCCNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000735624459 598237921 /nfs/dbraw/zinc/23/79/21/598237921.db2.gz VIERQYIMABTAGA-UHFFFAOYSA-N -1 3 376.436 3.207 20 0 GGADHM CCCCS[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736463147 598237988 /nfs/dbraw/zinc/23/79/88/598237988.db2.gz NJULHUIFJGFSOQ-CQSZACIVSA-N -1 3 389.525 3.158 20 0 GGADHM CCCCS[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736463147 598237991 /nfs/dbraw/zinc/23/79/91/598237991.db2.gz NJULHUIFJGFSOQ-CQSZACIVSA-N -1 3 389.525 3.158 20 0 GGADHM Cc1ccccc1CCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737425867 598238271 /nfs/dbraw/zinc/23/82/71/598238271.db2.gz FODPQEWDIOCETP-UHFFFAOYSA-N -1 3 391.475 3.178 20 0 GGADHM Cc1ccccc1CCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737425867 598238274 /nfs/dbraw/zinc/23/82/74/598238274.db2.gz FODPQEWDIOCETP-UHFFFAOYSA-N -1 3 391.475 3.178 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCOc1cccc(Br)c1 ZINC000737639856 598240576 /nfs/dbraw/zinc/24/05/76/598240576.db2.gz HAPLYAKTKONBKF-UHFFFAOYSA-N -1 3 378.205 3.259 20 0 GGADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736263554 598242499 /nfs/dbraw/zinc/24/24/99/598242499.db2.gz QVZUVEMHQVIOFV-AUUYWEPGSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736263554 598242502 /nfs/dbraw/zinc/24/25/02/598242502.db2.gz QVZUVEMHQVIOFV-AUUYWEPGSA-N -1 3 377.448 3.364 20 0 GGADHM CCc1csc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)n1 ZINC000736700118 598243757 /nfs/dbraw/zinc/24/37/57/598243757.db2.gz QURCJYDSZHSFMA-UHFFFAOYSA-N -1 3 396.432 3.310 20 0 GGADHM CCc1csc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)n1 ZINC000736700118 598243758 /nfs/dbraw/zinc/24/37/58/598243758.db2.gz QURCJYDSZHSFMA-UHFFFAOYSA-N -1 3 396.432 3.310 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000735628406 598246414 /nfs/dbraw/zinc/24/64/14/598246414.db2.gz SZWKYBLZRWKUTO-LBPRGKRZSA-N -1 3 376.436 3.065 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000735628406 598246417 /nfs/dbraw/zinc/24/64/17/598246417.db2.gz SZWKYBLZRWKUTO-LBPRGKRZSA-N -1 3 376.436 3.065 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000735485007 598249488 /nfs/dbraw/zinc/24/94/88/598249488.db2.gz RONOGHRYZRUEAY-UHFFFAOYSA-N -1 3 387.241 3.200 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000735485007 598249490 /nfs/dbraw/zinc/24/94/90/598249490.db2.gz RONOGHRYZRUEAY-UHFFFAOYSA-N -1 3 387.241 3.200 20 0 GGADHM Clc1ccc2[nH]c3c(c2c1)CN(CCOc1ccc(-c2nn[n-]n2)cc1)CC3 ZINC000737575424 598252776 /nfs/dbraw/zinc/25/27/76/598252776.db2.gz WFFCUQRBNJBNKQ-UHFFFAOYSA-N -1 3 394.866 3.439 20 0 GGADHM CCC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccn1 ZINC000736431496 598254156 /nfs/dbraw/zinc/25/41/56/598254156.db2.gz ISKKUGVXUNQINY-OAHLLOKOSA-N -1 3 382.472 3.481 20 0 GGADHM CCC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccn1 ZINC000736431496 598254157 /nfs/dbraw/zinc/25/41/57/598254157.db2.gz ISKKUGVXUNQINY-OAHLLOKOSA-N -1 3 382.472 3.481 20 0 GGADHM C[C@H](c1c(F)cccc1F)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736199334 598255657 /nfs/dbraw/zinc/25/56/57/598255657.db2.gz XGXIKQAJBJPHKC-GFCCVEGCSA-N -1 3 388.397 3.167 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)n1cccc1 ZINC000735978107 598260054 /nfs/dbraw/zinc/26/00/54/598260054.db2.gz UBTXTRGUTGFPSS-AWEZNQCLSA-N -1 3 389.419 3.445 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCCO1 ZINC000736118648 598266508 /nfs/dbraw/zinc/26/65/08/598266508.db2.gz UVYFJIDBBADZJJ-ACJLOTCBSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCCO1 ZINC000736118648 598266509 /nfs/dbraw/zinc/26/65/09/598266509.db2.gz UVYFJIDBBADZJJ-ACJLOTCBSA-N -1 3 394.435 3.348 20 0 GGADHM CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000736408487 598266880 /nfs/dbraw/zinc/26/68/80/598266880.db2.gz JJUAUXJIKBYAAA-INIZCTEOSA-N -1 3 394.435 3.302 20 0 GGADHM CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000736408487 598266882 /nfs/dbraw/zinc/26/68/82/598266882.db2.gz JJUAUXJIKBYAAA-INIZCTEOSA-N -1 3 394.435 3.302 20 0 GGADHM CO[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736960963 598267981 /nfs/dbraw/zinc/26/79/81/598267981.db2.gz IYQLRMAMJWDVHC-SFHVURJKSA-N -1 3 394.435 3.302 20 0 GGADHM CO[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736960963 598267983 /nfs/dbraw/zinc/26/79/83/598267983.db2.gz IYQLRMAMJWDVHC-SFHVURJKSA-N -1 3 394.435 3.302 20 0 GGADHM CC(C)CC[C@@H](C)NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735797116 598268124 /nfs/dbraw/zinc/26/81/24/598268124.db2.gz LQGNQNMUBUIGHA-OAHLLOKOSA-N -1 3 386.500 3.244 20 0 GGADHM CC(C)CC[C@@H](C)NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735797116 598268126 /nfs/dbraw/zinc/26/81/26/598268126.db2.gz LQGNQNMUBUIGHA-OAHLLOKOSA-N -1 3 386.500 3.244 20 0 GGADHM CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000735506069 598269700 /nfs/dbraw/zinc/26/97/00/598269700.db2.gz YZWMYPLLMUYTFK-CYBMUJFWSA-N -1 3 396.476 3.200 20 0 GGADHM CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000735506069 598269701 /nfs/dbraw/zinc/26/97/01/598269701.db2.gz YZWMYPLLMUYTFK-CYBMUJFWSA-N -1 3 396.476 3.200 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CC1CCCCC1 ZINC000735831850 598270089 /nfs/dbraw/zinc/27/00/89/598270089.db2.gz WKLLWQCXTMYKTK-UHFFFAOYSA-N -1 3 391.541 3.235 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CC1CCCCC1 ZINC000735831850 598270090 /nfs/dbraw/zinc/27/00/90/598270090.db2.gz WKLLWQCXTMYKTK-UHFFFAOYSA-N -1 3 391.541 3.235 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCCOc1ccccc1 ZINC000735659585 598275793 /nfs/dbraw/zinc/27/57/93/598275793.db2.gz DJAINZKZQNDQRA-UHFFFAOYSA-N -1 3 383.456 3.014 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCCOc1ccccc1 ZINC000735659585 598275795 /nfs/dbraw/zinc/27/57/95/598275795.db2.gz DJAINZKZQNDQRA-UHFFFAOYSA-N -1 3 383.456 3.014 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccnc(-n2cccn2)c1 ZINC000737627314 598277000 /nfs/dbraw/zinc/27/70/00/598277000.db2.gz PFJTWRGRGZDWAI-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(Cl)s1 ZINC000735660496 598277551 /nfs/dbraw/zinc/27/75/51/598277551.db2.gz BGKQPADJFUKFKP-UHFFFAOYSA-N -1 3 379.877 3.460 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(Cl)s1 ZINC000735660496 598277553 /nfs/dbraw/zinc/27/75/53/598277553.db2.gz BGKQPADJFUKFKP-UHFFFAOYSA-N -1 3 379.877 3.460 20 0 GGADHM CN(CCCOc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736797741 598277966 /nfs/dbraw/zinc/27/79/66/598277966.db2.gz KRDYYRHDZLJKQJ-UHFFFAOYSA-N -1 3 397.483 3.356 20 0 GGADHM CN(CCCOc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736797741 598277967 /nfs/dbraw/zinc/27/79/67/598277967.db2.gz KRDYYRHDZLJKQJ-UHFFFAOYSA-N -1 3 397.483 3.356 20 0 GGADHM CCOCc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736628024 598278208 /nfs/dbraw/zinc/27/82/08/598278208.db2.gz YXZYADDOSRRZQY-UHFFFAOYSA-N -1 3 397.483 3.281 20 0 GGADHM CCOCc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736628024 598278209 /nfs/dbraw/zinc/27/82/09/598278209.db2.gz YXZYADDOSRRZQY-UHFFFAOYSA-N -1 3 397.483 3.281 20 0 GGADHM CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736816491 598278413 /nfs/dbraw/zinc/27/84/13/598278413.db2.gz JRHYMBFYJDUOLJ-UHFFFAOYSA-N -1 3 389.410 3.365 20 0 GGADHM CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736816491 598278415 /nfs/dbraw/zinc/27/84/15/598278415.db2.gz JRHYMBFYJDUOLJ-UHFFFAOYSA-N -1 3 389.410 3.365 20 0 GGADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741537 598278893 /nfs/dbraw/zinc/27/88/93/598278893.db2.gz FNWIGBYLPCQODV-UHFFFAOYSA-N -1 3 383.280 3.440 20 0 GGADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741537 598278895 /nfs/dbraw/zinc/27/88/95/598278895.db2.gz FNWIGBYLPCQODV-UHFFFAOYSA-N -1 3 383.280 3.440 20 0 GGADHM Cc1cccc(OC[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737401618 598279899 /nfs/dbraw/zinc/27/98/99/598279899.db2.gz NLFRJRRBIWBKCQ-CQSZACIVSA-N -1 3 397.483 3.321 20 0 GGADHM Cc1cccc(OC[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737401618 598279900 /nfs/dbraw/zinc/27/99/00/598279900.db2.gz NLFRJRRBIWBKCQ-CQSZACIVSA-N -1 3 397.483 3.321 20 0 GGADHM CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741510 598279998 /nfs/dbraw/zinc/27/99/98/598279998.db2.gz ROGYXKBVTLMXBH-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741510 598279999 /nfs/dbraw/zinc/27/99/99/598279999.db2.gz ROGYXKBVTLMXBH-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc2ccccc2n1 ZINC000735662626 598280458 /nfs/dbraw/zinc/28/04/58/598280458.db2.gz VIGJGDPVXOLPLL-UHFFFAOYSA-N -1 3 390.451 3.293 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc2ccccc2n1 ZINC000735662626 598280459 /nfs/dbraw/zinc/28/04/59/598280459.db2.gz VIGJGDPVXOLPLL-UHFFFAOYSA-N -1 3 390.451 3.293 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000735660562 598280501 /nfs/dbraw/zinc/28/05/01/598280501.db2.gz MTGBRTXVHRAQOF-KKNUOHPOSA-N -1 3 383.500 3.466 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000735660562 598280502 /nfs/dbraw/zinc/28/05/02/598280502.db2.gz MTGBRTXVHRAQOF-KKNUOHPOSA-N -1 3 383.500 3.466 20 0 GGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736236746 598281429 /nfs/dbraw/zinc/28/14/29/598281429.db2.gz MKWRVKCZRFTTLJ-XUWXXGDYSA-N -1 3 389.475 3.446 20 0 GGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736236746 598281430 /nfs/dbraw/zinc/28/14/30/598281430.db2.gz MKWRVKCZRFTTLJ-XUWXXGDYSA-N -1 3 389.475 3.446 20 0 GGADHM C[C@@H]1CCCN(C(=O)CNc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736265991 598282479 /nfs/dbraw/zinc/28/24/79/598282479.db2.gz MDVRYZZORLDKDD-OAHLLOKOSA-N -1 3 392.463 3.329 20 0 GGADHM C[C@@H]1CCCN(C(=O)CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736265991 598282481 /nfs/dbraw/zinc/28/24/81/598282481.db2.gz MDVRYZZORLDKDD-OAHLLOKOSA-N -1 3 392.463 3.329 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccn(-c2ccccc2)n1 ZINC000737026271 598283095 /nfs/dbraw/zinc/28/30/95/598283095.db2.gz PNZPNBZQBVDAMC-UHFFFAOYSA-N -1 3 382.811 3.293 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccn(-c2ccccc2)n1 ZINC000737026271 598283096 /nfs/dbraw/zinc/28/30/96/598283096.db2.gz PNZPNBZQBVDAMC-UHFFFAOYSA-N -1 3 382.811 3.293 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737025056 598283962 /nfs/dbraw/zinc/28/39/62/598283962.db2.gz VVEPTFBWEDQGOV-HNNXBMFYSA-N -1 3 394.479 3.395 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737025056 598283963 /nfs/dbraw/zinc/28/39/63/598283963.db2.gz VVEPTFBWEDQGOV-HNNXBMFYSA-N -1 3 394.479 3.395 20 0 GGADHM O=C(OCc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000738236238 598288203 /nfs/dbraw/zinc/28/82/03/598288203.db2.gz GFAHGADTLPKVEV-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000738236238 598288205 /nfs/dbraw/zinc/28/82/05/598288205.db2.gz GFAHGADTLPKVEV-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737974772 598289403 /nfs/dbraw/zinc/28/94/03/598289403.db2.gz SEIRXHJVCJUTFK-UHFFFAOYSA-N -1 3 392.337 3.050 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737974772 598289405 /nfs/dbraw/zinc/28/94/05/598289405.db2.gz SEIRXHJVCJUTFK-UHFFFAOYSA-N -1 3 392.337 3.050 20 0 GGADHM CC(C)(C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735582724 598290929 /nfs/dbraw/zinc/29/09/29/598290929.db2.gz OEODXUCJPYSMIP-UHFFFAOYSA-N -1 3 384.411 3.296 20 0 GGADHM CC(C)[C@H](CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000735706420 598291194 /nfs/dbraw/zinc/29/11/94/598291194.db2.gz AFNIVWZWIPVTDW-KRWDZBQOSA-N -1 3 380.452 3.047 20 0 GGADHM CC(C)[C@H](CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000735706420 598291196 /nfs/dbraw/zinc/29/11/96/598291196.db2.gz AFNIVWZWIPVTDW-KRWDZBQOSA-N -1 3 380.452 3.047 20 0 GGADHM CC(C)(C)OCc1cccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735639478 598296656 /nfs/dbraw/zinc/29/66/56/598296656.db2.gz IQQOWUHHEMLGHE-UHFFFAOYSA-N -1 3 379.464 3.041 20 0 GGADHM CC(C)(C)OCc1cccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735639478 598296658 /nfs/dbraw/zinc/29/66/58/598296658.db2.gz IQQOWUHHEMLGHE-UHFFFAOYSA-N -1 3 379.464 3.041 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2c(F)cccc2F)n1 ZINC000738251044 598296857 /nfs/dbraw/zinc/29/68/57/598296857.db2.gz LZWCJJDVFFMRAL-UHFFFAOYSA-N -1 3 385.355 3.488 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738288605 598297888 /nfs/dbraw/zinc/29/78/88/598297888.db2.gz CMISQLUPMDGBIK-UHFFFAOYSA-N -1 3 380.260 3.434 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738288605 598297890 /nfs/dbraw/zinc/29/78/90/598297890.db2.gz CMISQLUPMDGBIK-UHFFFAOYSA-N -1 3 380.260 3.434 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000737924178 598297902 /nfs/dbraw/zinc/29/79/02/598297902.db2.gz CICMRANLAYJJHE-UHFFFAOYSA-N -1 3 397.438 3.455 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000737924178 598297904 /nfs/dbraw/zinc/29/79/04/598297904.db2.gz CICMRANLAYJJHE-UHFFFAOYSA-N -1 3 397.438 3.455 20 0 GGADHM Cc1ccc(C)c(OCCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737325723 598299322 /nfs/dbraw/zinc/29/93/22/598299322.db2.gz HDHOLGCQAXUYOF-UHFFFAOYSA-N -1 3 397.454 3.488 20 0 GGADHM Cc1ccc(C)c(OCCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737325723 598299324 /nfs/dbraw/zinc/29/93/24/598299324.db2.gz HDHOLGCQAXUYOF-UHFFFAOYSA-N -1 3 397.454 3.488 20 0 GGADHM CC(C)(C)OCc1cccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735639406 598299495 /nfs/dbraw/zinc/29/94/95/598299495.db2.gz FUJWUDJHTCXBKZ-UHFFFAOYSA-N -1 3 394.479 3.181 20 0 GGADHM CC(C)(C)OCc1cccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735639406 598299497 /nfs/dbraw/zinc/29/94/97/598299497.db2.gz FUJWUDJHTCXBKZ-UHFFFAOYSA-N -1 3 394.479 3.181 20 0 GGADHM CC(C)c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)nn1C(C)(C)C ZINC000735921359 598299958 /nfs/dbraw/zinc/29/99/58/598299958.db2.gz QCDCAABBLXLPFE-UHFFFAOYSA-N -1 3 385.447 3.011 20 0 GGADHM CC(C)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)nn1C(C)(C)C ZINC000735921359 598299960 /nfs/dbraw/zinc/29/99/60/598299960.db2.gz QCDCAABBLXLPFE-UHFFFAOYSA-N -1 3 385.447 3.011 20 0 GGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737464718 598302318 /nfs/dbraw/zinc/30/23/18/598302318.db2.gz VWJDEBJWLNBXGK-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1-n1cccc1 ZINC000737311789 598303307 /nfs/dbraw/zinc/30/33/07/598303307.db2.gz FIYBRUMVMKESLV-UHFFFAOYSA-N -1 3 376.395 3.035 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1-n1cccc1 ZINC000737311789 598303310 /nfs/dbraw/zinc/30/33/10/598303310.db2.gz FIYBRUMVMKESLV-UHFFFAOYSA-N -1 3 376.395 3.035 20 0 GGADHM Cc1cc(C)c2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)sc2n1 ZINC000737248956 598304964 /nfs/dbraw/zinc/30/49/64/598304964.db2.gz POTVSSQZXQCPCU-UHFFFAOYSA-N -1 3 382.424 3.162 20 0 GGADHM Cc1cc(C)c2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)sc2n1 ZINC000737248956 598304966 /nfs/dbraw/zinc/30/49/66/598304966.db2.gz POTVSSQZXQCPCU-UHFFFAOYSA-N -1 3 382.424 3.162 20 0 GGADHM C[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2[nH]1 ZINC000736155241 598306488 /nfs/dbraw/zinc/30/64/88/598306488.db2.gz KNSUUIXRFPOGTN-LBPRGKRZSA-N -1 3 394.460 3.281 20 0 GGADHM C[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000736155241 598306490 /nfs/dbraw/zinc/30/64/90/598306490.db2.gz KNSUUIXRFPOGTN-LBPRGKRZSA-N -1 3 394.460 3.281 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000736169433 598306584 /nfs/dbraw/zinc/30/65/84/598306584.db2.gz NITZSBBCOQRECG-UONOGXRCSA-N -1 3 389.415 3.487 20 0 GGADHM O=C(C=Cc1cccs1)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737805110 598308766 /nfs/dbraw/zinc/30/87/66/598308766.db2.gz GWRBBUIRPTVJFJ-BQYQJAHWSA-N -1 3 393.428 3.112 20 0 GGADHM O=C(C=Cc1cccs1)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737805110 598308767 /nfs/dbraw/zinc/30/87/67/598308767.db2.gz GWRBBUIRPTVJFJ-BQYQJAHWSA-N -1 3 393.428 3.112 20 0 GGADHM CN(C(=O)c1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000736749802 598309963 /nfs/dbraw/zinc/30/99/63/598309963.db2.gz RWCKGNNOAHWOSN-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CN(C(=O)c1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000736749802 598309965 /nfs/dbraw/zinc/30/99/65/598309965.db2.gz RWCKGNNOAHWOSN-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739377 598311414 /nfs/dbraw/zinc/31/14/14/598311414.db2.gz MWJHBGKGFUOMND-UHFFFAOYSA-N -1 3 394.435 3.335 20 0 GGADHM CN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739377 598311416 /nfs/dbraw/zinc/31/14/16/598311416.db2.gz MWJHBGKGFUOMND-UHFFFAOYSA-N -1 3 394.435 3.335 20 0 GGADHM O=C(OCc1nc2cccnc2[nH]1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738244403 598312533 /nfs/dbraw/zinc/31/25/33/598312533.db2.gz IEVMSNKVJKMXBJ-UHFFFAOYSA-N -1 3 397.398 3.162 20 0 GGADHM O=C(OCc1nc2cccnc2[nH]1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738244403 598312536 /nfs/dbraw/zinc/31/25/36/598312536.db2.gz IEVMSNKVJKMXBJ-UHFFFAOYSA-N -1 3 397.398 3.162 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000736187444 598314807 /nfs/dbraw/zinc/31/48/07/598314807.db2.gz ATEVAVWOUQCLCI-CYBMUJFWSA-N -1 3 397.479 3.212 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2C1 ZINC000736187444 598314808 /nfs/dbraw/zinc/31/48/08/598314808.db2.gz ATEVAVWOUQCLCI-CYBMUJFWSA-N -1 3 397.479 3.212 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccccc1OCc1ccccn1 ZINC000737638411 598314997 /nfs/dbraw/zinc/31/49/97/598314997.db2.gz GTERQDNELJEDIM-UHFFFAOYSA-N -1 3 390.422 3.270 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ncc(-c2ccccc2)s1 ZINC000738100778 598316854 /nfs/dbraw/zinc/31/68/54/598316854.db2.gz UGRHLOPFHHCCOC-UHFFFAOYSA-N -1 3 395.423 3.451 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ncc(-c2ccccc2)s1 ZINC000738100778 598316855 /nfs/dbraw/zinc/31/68/55/598316855.db2.gz UGRHLOPFHHCCOC-UHFFFAOYSA-N -1 3 395.423 3.451 20 0 GGADHM COc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000737102723 598317132 /nfs/dbraw/zinc/31/71/32/598317132.db2.gz BBOIFUVMOBRKQI-UHFFFAOYSA-N -1 3 390.856 3.346 20 0 GGADHM COc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000737102723 598317134 /nfs/dbraw/zinc/31/71/34/598317134.db2.gz BBOIFUVMOBRKQI-UHFFFAOYSA-N -1 3 390.856 3.346 20 0 GGADHM CN(Cc1ccc(F)cc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736820610 598317205 /nfs/dbraw/zinc/31/72/05/598317205.db2.gz ZLUXZRJHYVTCMC-UHFFFAOYSA-N -1 3 376.848 3.488 20 0 GGADHM CN(Cc1ccc(F)cc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736820610 598317208 /nfs/dbraw/zinc/31/72/08/598317208.db2.gz ZLUXZRJHYVTCMC-UHFFFAOYSA-N -1 3 376.848 3.488 20 0 GGADHM COc1ccccc1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737148988 598317236 /nfs/dbraw/zinc/31/72/36/598317236.db2.gz DZQPFYWUNAHLDL-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM COc1ccccc1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737148988 598317238 /nfs/dbraw/zinc/31/72/38/598317238.db2.gz DZQPFYWUNAHLDL-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1 ZINC000736117693 598318462 /nfs/dbraw/zinc/31/84/62/598318462.db2.gz KFVDPDVYZUTLCO-SECBINFHSA-N -1 3 392.797 3.359 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000736117693 598318464 /nfs/dbraw/zinc/31/84/64/598318464.db2.gz KFVDPDVYZUTLCO-SECBINFHSA-N -1 3 392.797 3.359 20 0 GGADHM C[C@@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112950 598318676 /nfs/dbraw/zinc/31/86/76/598318676.db2.gz LDSUTZTXIQBZOZ-BEFAXECRSA-N -1 3 392.463 3.101 20 0 GGADHM C[C@@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112950 598318678 /nfs/dbraw/zinc/31/86/78/598318678.db2.gz LDSUTZTXIQBZOZ-BEFAXECRSA-N -1 3 392.463 3.101 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(Cc1cccnc1)C1CC1 ZINC000738402334 598319781 /nfs/dbraw/zinc/31/97/81/598319781.db2.gz ZZAUCQAKALESIZ-UHFFFAOYSA-N -1 3 385.884 3.277 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(Cc1cccnc1)C1CC1 ZINC000738402334 598319783 /nfs/dbraw/zinc/31/97/83/598319783.db2.gz ZZAUCQAKALESIZ-UHFFFAOYSA-N -1 3 385.884 3.277 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NCc1ccccc1C(F)(F)F ZINC000738098726 598320105 /nfs/dbraw/zinc/32/01/05/598320105.db2.gz AOBXAJVGJFZKRF-UHFFFAOYSA-N -1 3 394.332 3.024 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NCc1ccccc1C(F)(F)F ZINC000738098726 598320107 /nfs/dbraw/zinc/32/01/07/598320107.db2.gz AOBXAJVGJFZKRF-UHFFFAOYSA-N -1 3 394.332 3.024 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738099383 598321661 /nfs/dbraw/zinc/32/16/61/598321661.db2.gz HRAQTFVAEFOFLU-GOSISDBHSA-N -1 3 398.417 3.486 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738099383 598321662 /nfs/dbraw/zinc/32/16/62/598321662.db2.gz HRAQTFVAEFOFLU-GOSISDBHSA-N -1 3 398.417 3.486 20 0 GGADHM CN(Cc1ccsc1)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736830340 598325756 /nfs/dbraw/zinc/32/57/56/598325756.db2.gz VVYFBNHELYBJGD-UHFFFAOYSA-N -1 3 395.444 3.372 20 0 GGADHM CN(Cc1ccsc1)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736830340 598325758 /nfs/dbraw/zinc/32/57/58/598325758.db2.gz VVYFBNHELYBJGD-UHFFFAOYSA-N -1 3 395.444 3.372 20 0 GGADHM O=C(OCc1ccccc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738235173 598326151 /nfs/dbraw/zinc/32/61/51/598326151.db2.gz OHYMZGGKXGRLSZ-UHFFFAOYSA-N -1 3 376.372 3.396 20 0 GGADHM O=C(OCc1ccccc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738235173 598326152 /nfs/dbraw/zinc/32/61/52/598326152.db2.gz OHYMZGGKXGRLSZ-UHFFFAOYSA-N -1 3 376.372 3.396 20 0 GGADHM O=C(c1cccc(F)c1F)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000738274975 598327915 /nfs/dbraw/zinc/32/79/15/598327915.db2.gz YPIYGIJPLMSYMF-UHFFFAOYSA-N -1 3 397.307 3.350 20 0 GGADHM O=C(c1cccc(F)c1F)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000738274975 598327917 /nfs/dbraw/zinc/32/79/17/598327917.db2.gz YPIYGIJPLMSYMF-UHFFFAOYSA-N -1 3 397.307 3.350 20 0 GGADHM O=C(NC[C@H]1CC=CCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738045895 598328258 /nfs/dbraw/zinc/32/82/58/598328258.db2.gz RSQVMYLYCHQNJM-AWEZNQCLSA-N -1 3 379.420 3.125 20 0 GGADHM O=C(NC[C@H]1CC=CCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738045895 598328260 /nfs/dbraw/zinc/32/82/60/598328260.db2.gz RSQVMYLYCHQNJM-AWEZNQCLSA-N -1 3 379.420 3.125 20 0 GGADHM O=C(Nc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000738189188 598329761 /nfs/dbraw/zinc/32/97/61/598329761.db2.gz BYHYOGGYTCFFLM-UHFFFAOYSA-N -1 3 390.428 3.433 20 0 GGADHM O=C(Nc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000738189188 598329762 /nfs/dbraw/zinc/32/97/62/598329762.db2.gz BYHYOGGYTCFFLM-UHFFFAOYSA-N -1 3 390.428 3.433 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737319635 598330337 /nfs/dbraw/zinc/33/03/37/598330337.db2.gz FUTVSVYOKYMDLO-ZDUSSCGKSA-N -1 3 393.403 3.431 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737319635 598330338 /nfs/dbraw/zinc/33/03/38/598330338.db2.gz FUTVSVYOKYMDLO-ZDUSSCGKSA-N -1 3 393.403 3.431 20 0 GGADHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000737194220 598331966 /nfs/dbraw/zinc/33/19/66/598331966.db2.gz DVIGNCZEBNGTKY-SNVBAGLBSA-N -1 3 376.775 3.342 20 0 GGADHM C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000737194220 598331968 /nfs/dbraw/zinc/33/19/68/598331968.db2.gz DVIGNCZEBNGTKY-SNVBAGLBSA-N -1 3 376.775 3.342 20 0 GGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1F ZINC000738234572 598332199 /nfs/dbraw/zinc/33/21/99/598332199.db2.gz JULWJDCHVHXMIA-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1F ZINC000738234572 598332201 /nfs/dbraw/zinc/33/22/01/598332201.db2.gz JULWJDCHVHXMIA-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM CCn1c(C)nn(CN(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1=S ZINC000736720187 598334881 /nfs/dbraw/zinc/33/48/81/598334881.db2.gz LTFMATKOQQDZOA-UHFFFAOYSA-N -1 3 386.529 3.038 20 0 GGADHM CCn1c(C)nn(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1=S ZINC000736720187 598334883 /nfs/dbraw/zinc/33/48/83/598334883.db2.gz LTFMATKOQQDZOA-UHFFFAOYSA-N -1 3 386.529 3.038 20 0 GGADHM CCCOc1cccc(CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821133693 607350839 /nfs/dbraw/zinc/35/08/39/607350839.db2.gz DXOQCHVIYNSVBU-ZHACJKMWSA-N -1 3 377.448 3.028 20 0 GGADHM CCCOc1cccc(CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821133693 607350840 /nfs/dbraw/zinc/35/08/40/607350840.db2.gz DXOQCHVIYNSVBU-ZHACJKMWSA-N -1 3 377.448 3.028 20 0 GGADHM CC(C)(C)[C@H](CO)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819897814 607353698 /nfs/dbraw/zinc/35/36/98/607353698.db2.gz AISJBIDAZNOHDD-KRWDZBQOSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)(C)[C@H](CO)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819897814 607353700 /nfs/dbraw/zinc/35/37/00/607353700.db2.gz AISJBIDAZNOHDD-KRWDZBQOSA-N -1 3 396.451 3.188 20 0 GGADHM CCCOc1cccc(CCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821133686 607353743 /nfs/dbraw/zinc/35/37/43/607353743.db2.gz DUATWGKLJIASDB-UHFFFAOYSA-N -1 3 396.451 3.028 20 0 GGADHM CCCOc1cccc(CCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821133686 607353745 /nfs/dbraw/zinc/35/37/45/607353745.db2.gz DUATWGKLJIASDB-UHFFFAOYSA-N -1 3 396.451 3.028 20 0 GGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000569704967 598357915 /nfs/dbraw/zinc/35/79/15/598357915.db2.gz XQOVIDOMLKJOOA-GOSISDBHSA-N -1 3 379.464 3.464 20 0 GGADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000569704967 598357918 /nfs/dbraw/zinc/35/79/18/598357918.db2.gz XQOVIDOMLKJOOA-GOSISDBHSA-N -1 3 379.464 3.464 20 0 GGADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735480775 598358310 /nfs/dbraw/zinc/35/83/10/598358310.db2.gz AHQVKYWXWGMEOR-RMKNXTFCSA-N -1 3 382.811 3.130 20 0 GGADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735480775 598358311 /nfs/dbraw/zinc/35/83/11/598358311.db2.gz AHQVKYWXWGMEOR-RMKNXTFCSA-N -1 3 382.811 3.130 20 0 GGADHM Cc1ccccc1C1(CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737420148 598358507 /nfs/dbraw/zinc/35/85/07/598358507.db2.gz IQEZPBYMNZLIFB-UHFFFAOYSA-N -1 3 376.464 3.048 20 0 GGADHM Cc1ccccc1C1(CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737420148 598358508 /nfs/dbraw/zinc/35/85/08/598358508.db2.gz IQEZPBYMNZLIFB-UHFFFAOYSA-N -1 3 376.464 3.048 20 0 GGADHM CC(C)(C)c1nc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cs1 ZINC000735657913 598364374 /nfs/dbraw/zinc/36/43/74/598364374.db2.gz XTQMBRVSMFDZNI-UHFFFAOYSA-N -1 3 396.520 3.354 20 0 GGADHM CC(C)(C)c1nc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC000735657913 598364376 /nfs/dbraw/zinc/36/43/76/598364376.db2.gz XTQMBRVSMFDZNI-UHFFFAOYSA-N -1 3 396.520 3.354 20 0 GGADHM Cc1c(NC(=O)Cc2cc(F)ccc2Br)cccc1-c1nnn[n-]1 ZINC000822076698 607349129 /nfs/dbraw/zinc/34/91/29/607349129.db2.gz QWHOYRREMLYGTJ-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM Cc1c(NC(=O)Cc2cc(F)ccc2Br)cccc1-c1nn[n-]n1 ZINC000822076698 607349130 /nfs/dbraw/zinc/34/91/30/607349130.db2.gz QWHOYRREMLYGTJ-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000736153740 598370610 /nfs/dbraw/zinc/37/06/10/598370610.db2.gz ZDORUNODOGJYQH-STQMWFEESA-N -1 3 397.410 3.070 20 0 GGADHM C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000736153740 598370612 /nfs/dbraw/zinc/37/06/12/598370612.db2.gz ZDORUNODOGJYQH-STQMWFEESA-N -1 3 397.410 3.070 20 0 GGADHM C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000736153738 598370797 /nfs/dbraw/zinc/37/07/97/598370797.db2.gz ZDORUNODOGJYQH-OLZOCXBDSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000736153738 598370798 /nfs/dbraw/zinc/37/07/98/598370798.db2.gz ZDORUNODOGJYQH-OLZOCXBDSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736148642 598370921 /nfs/dbraw/zinc/37/09/21/598370921.db2.gz HBOOVEQSZNIKJI-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736148642 598370922 /nfs/dbraw/zinc/37/09/22/598370922.db2.gz HBOOVEQSZNIKJI-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@H](OC(=O)/C=C\Sc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736151297 598371019 /nfs/dbraw/zinc/37/10/19/598371019.db2.gz MIXVOGLAWAOFSG-OEYXZAGESA-N -1 3 395.444 3.043 20 0 GGADHM C[C@H](OC(=O)/C=C\Sc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736151297 598371021 /nfs/dbraw/zinc/37/10/21/598371021.db2.gz MIXVOGLAWAOFSG-OEYXZAGESA-N -1 3 395.444 3.043 20 0 GGADHM C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000736153737 598371100 /nfs/dbraw/zinc/37/11/00/598371100.db2.gz ZDORUNODOGJYQH-CHWSQXEVSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000736153737 598371102 /nfs/dbraw/zinc/37/11/02/598371102.db2.gz ZDORUNODOGJYQH-CHWSQXEVSA-N -1 3 397.410 3.070 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000736812182 598371165 /nfs/dbraw/zinc/37/11/65/598371165.db2.gz CWOQXEANSZTABS-UHFFFAOYSA-N -1 3 376.464 3.128 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000736812182 598371166 /nfs/dbraw/zinc/37/11/66/598371166.db2.gz CWOQXEANSZTABS-UHFFFAOYSA-N -1 3 376.464 3.128 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)COc2c(C)ccc(C)c2C)n1 ZINC000737240142 598372340 /nfs/dbraw/zinc/37/23/40/598372340.db2.gz IHDKONPJBUGQAE-MRXNPFEDSA-N -1 3 399.520 3.336 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)COc2c(C)ccc(C)c2C)n1 ZINC000737240142 598372342 /nfs/dbraw/zinc/37/23/42/598372342.db2.gz IHDKONPJBUGQAE-MRXNPFEDSA-N -1 3 399.520 3.336 20 0 GGADHM CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736791347 598372443 /nfs/dbraw/zinc/37/24/43/598372443.db2.gz LPUPNUQJYRURPP-SFHVURJKSA-N -1 3 394.435 3.302 20 0 GGADHM CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736791347 598372445 /nfs/dbraw/zinc/37/24/45/598372445.db2.gz LPUPNUQJYRURPP-SFHVURJKSA-N -1 3 394.435 3.302 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737149171 598372980 /nfs/dbraw/zinc/37/29/80/598372980.db2.gz XATFFWLHKXNHQT-SFHVURJKSA-N -1 3 392.463 3.312 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737149171 598372981 /nfs/dbraw/zinc/37/29/81/598372981.db2.gz XATFFWLHKXNHQT-SFHVURJKSA-N -1 3 392.463 3.312 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738162834 598373567 /nfs/dbraw/zinc/37/35/67/598373567.db2.gz NOOWQPRUCDAUJO-HNNXBMFYSA-N -1 3 380.427 3.492 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738162834 598373569 /nfs/dbraw/zinc/37/35/69/598373569.db2.gz NOOWQPRUCDAUJO-HNNXBMFYSA-N -1 3 380.427 3.492 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000737023377 598380088 /nfs/dbraw/zinc/38/00/88/598380088.db2.gz DNMFQUOMMHQURY-UHFFFAOYSA-N -1 3 397.416 3.048 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000737023377 598380091 /nfs/dbraw/zinc/38/00/91/598380091.db2.gz DNMFQUOMMHQURY-UHFFFAOYSA-N -1 3 397.416 3.048 20 0 GGADHM CCCCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000736464358 598380178 /nfs/dbraw/zinc/38/01/78/598380178.db2.gz ZYYYEWLALDYWOM-QGOAFFKASA-N -1 3 389.415 3.390 20 0 GGADHM CCCCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000736464358 598380180 /nfs/dbraw/zinc/38/01/80/598380180.db2.gz ZYYYEWLALDYWOM-QGOAFFKASA-N -1 3 389.415 3.390 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738112346 598380547 /nfs/dbraw/zinc/38/05/47/598380547.db2.gz PJUIEHCQIZQMBF-LJQANCHMSA-N -1 3 377.448 3.183 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738112346 598380548 /nfs/dbraw/zinc/38/05/48/598380548.db2.gz PJUIEHCQIZQMBF-LJQANCHMSA-N -1 3 377.448 3.183 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737549195 598380761 /nfs/dbraw/zinc/38/07/61/598380761.db2.gz UJNPZOVWFLWAAE-UHFFFAOYSA-N -1 3 394.460 3.093 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737549195 598380762 /nfs/dbraw/zinc/38/07/62/598380762.db2.gz UJNPZOVWFLWAAE-UHFFFAOYSA-N -1 3 394.460 3.093 20 0 GGADHM Cc1cccc(C2(CNC(=O)Cc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737390131 598381906 /nfs/dbraw/zinc/38/19/06/598381906.db2.gz PLTRHKXWQHWZOS-UHFFFAOYSA-N -1 3 375.476 3.346 20 0 GGADHM Cc1cccc(C2(CNC(=O)Cc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737390131 598381908 /nfs/dbraw/zinc/38/19/08/598381908.db2.gz PLTRHKXWQHWZOS-UHFFFAOYSA-N -1 3 375.476 3.346 20 0 GGADHM CC(C)(C)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000735589513 598382297 /nfs/dbraw/zinc/38/22/97/598382297.db2.gz LRTZQFXZDHJSOT-GOSISDBHSA-N -1 3 382.443 3.321 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737504365 598387022 /nfs/dbraw/zinc/38/70/22/598387022.db2.gz VNDGFWCMKCXYJS-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737504365 598387024 /nfs/dbraw/zinc/38/70/24/598387024.db2.gz VNDGFWCMKCXYJS-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM FC(F)(F)COc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737627948 598389162 /nfs/dbraw/zinc/38/91/62/598389162.db2.gz SBVUFIILKDZZJH-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM FC(F)(F)COc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737627948 598389164 /nfs/dbraw/zinc/38/91/64/598389164.db2.gz SBVUFIILKDZZJH-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000735661984 598390230 /nfs/dbraw/zinc/39/02/30/598390230.db2.gz ZCHKIUBKJNLPMB-OAHLLOKOSA-N -1 3 383.431 3.371 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000735661984 598390231 /nfs/dbraw/zinc/39/02/31/598390231.db2.gz ZCHKIUBKJNLPMB-OAHLLOKOSA-N -1 3 383.431 3.371 20 0 GGADHM Fc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c(Br)c1 ZINC000737650550 598391560 /nfs/dbraw/zinc/39/15/60/598391560.db2.gz SKYFJYUQLBZNBU-UHFFFAOYSA-N -1 3 383.612 3.429 20 0 GGADHM Fc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c(Br)c1 ZINC000737650550 598391562 /nfs/dbraw/zinc/39/15/62/598391562.db2.gz SKYFJYUQLBZNBU-UHFFFAOYSA-N -1 3 383.612 3.429 20 0 GGADHM Cc1ccsc1-c1nnc(SCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737441249 598394536 /nfs/dbraw/zinc/39/45/36/598394536.db2.gz BNENIRSXYASUHN-UHFFFAOYSA-N -1 3 386.462 3.458 20 0 GGADHM Cc1ccsc1-c1nnc(SCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737441249 598394538 /nfs/dbraw/zinc/39/45/38/598394538.db2.gz BNENIRSXYASUHN-UHFFFAOYSA-N -1 3 386.462 3.458 20 0 GGADHM CC(=O)c1csc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000735503574 598395079 /nfs/dbraw/zinc/39/50/79/598395079.db2.gz JTFAQYWHJVCSFW-UHFFFAOYSA-N -1 3 383.477 3.429 20 0 GGADHM CC(=O)c1csc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000735503574 598395080 /nfs/dbraw/zinc/39/50/80/598395080.db2.gz JTFAQYWHJVCSFW-UHFFFAOYSA-N -1 3 383.477 3.429 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737129083 598396276 /nfs/dbraw/zinc/39/62/76/598396276.db2.gz QGFATKQGKUKPAR-VQTJNVASSA-N -1 3 389.459 3.170 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737129083 598396278 /nfs/dbraw/zinc/39/62/78/598396278.db2.gz QGFATKQGKUKPAR-VQTJNVASSA-N -1 3 389.459 3.170 20 0 GGADHM CN(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742645 598396841 /nfs/dbraw/zinc/39/68/41/598396841.db2.gz SGDJTLAIYLBDRX-UHFFFAOYSA-N -1 3 387.325 3.096 20 0 GGADHM COc1ccc(OC(C)C)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737109512 598397196 /nfs/dbraw/zinc/39/71/96/598397196.db2.gz RSKUNIYWNLYUAX-ZDUSSCGKSA-N -1 3 397.435 3.069 20 0 GGADHM COc1ccc(OC(C)C)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737110033 598397299 /nfs/dbraw/zinc/39/72/99/598397299.db2.gz WCPUVZKIRBVCCU-UHFFFAOYSA-N -1 3 381.436 3.234 20 0 GGADHM COc1ccc(OC(C)C)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737110033 598397300 /nfs/dbraw/zinc/39/73/00/598397300.db2.gz WCPUVZKIRBVCCU-UHFFFAOYSA-N -1 3 381.436 3.234 20 0 GGADHM CC(C)COc1ccc(CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735844512 598398590 /nfs/dbraw/zinc/39/85/90/598398590.db2.gz MUYKCXWXLMWFKH-XFXZXTDPSA-N -1 3 391.475 3.274 20 0 GGADHM CC(C)COc1ccc(CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735844512 598398591 /nfs/dbraw/zinc/39/85/91/598398591.db2.gz MUYKCXWXLMWFKH-XFXZXTDPSA-N -1 3 391.475 3.274 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCc2ccc(F)cc21 ZINC000737933264 598399799 /nfs/dbraw/zinc/39/97/99/598399799.db2.gz WBISUZKTHBJYLR-KRWDZBQOSA-N -1 3 383.452 3.043 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2ccc(F)cc21 ZINC000737933264 598399801 /nfs/dbraw/zinc/39/98/01/598399801.db2.gz WBISUZKTHBJYLR-KRWDZBQOSA-N -1 3 383.452 3.043 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735838079 598411088 /nfs/dbraw/zinc/41/10/88/598411088.db2.gz NTKLHZCKJLHAQI-UHFFFAOYSA-N -1 3 396.447 3.066 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736187821 598415057 /nfs/dbraw/zinc/41/50/57/598415057.db2.gz JNJABXRTRPDJNK-QMMMGPOBSA-N -1 3 383.355 3.353 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736187821 598415059 /nfs/dbraw/zinc/41/50/59/598415059.db2.gz JNJABXRTRPDJNK-QMMMGPOBSA-N -1 3 383.355 3.353 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737141725 598415704 /nfs/dbraw/zinc/41/57/04/598415704.db2.gz JSLCGFUEWSNJMD-STQMWFEESA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737141725 598415705 /nfs/dbraw/zinc/41/57/05/598415705.db2.gz JSLCGFUEWSNJMD-STQMWFEESA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737141724 598415900 /nfs/dbraw/zinc/41/59/00/598415900.db2.gz JSLCGFUEWSNJMD-QWHCGFSZSA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737141724 598415901 /nfs/dbraw/zinc/41/59/01/598415901.db2.gz JSLCGFUEWSNJMD-QWHCGFSZSA-N -1 3 383.477 3.233 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000737896200 598416367 /nfs/dbraw/zinc/41/63/67/598416367.db2.gz TUJPGGBKMJVJDU-OAQYLSRUSA-N -1 3 398.470 3.379 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000736479052 598416712 /nfs/dbraw/zinc/41/67/12/598416712.db2.gz HXFKMCXLMUSCBF-UHFFFAOYSA-N -1 3 383.839 3.142 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000736479052 598416713 /nfs/dbraw/zinc/41/67/13/598416713.db2.gz HXFKMCXLMUSCBF-UHFFFAOYSA-N -1 3 383.839 3.142 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000735902935 598417893 /nfs/dbraw/zinc/41/78/93/598417893.db2.gz BADQWVQLWBGPNW-UHFFFAOYSA-N -1 3 385.811 3.129 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000735902935 598417894 /nfs/dbraw/zinc/41/78/94/598417894.db2.gz BADQWVQLWBGPNW-UHFFFAOYSA-N -1 3 385.811 3.129 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(N(C)C)cc2)s1 ZINC000736679226 598420740 /nfs/dbraw/zinc/42/07/40/598420740.db2.gz OUTYJOHTYBIFHM-CABCVRRESA-N -1 3 382.493 3.299 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(N(C)C)cc2)s1 ZINC000736679226 598420742 /nfs/dbraw/zinc/42/07/42/598420742.db2.gz OUTYJOHTYBIFHM-CABCVRRESA-N -1 3 382.493 3.299 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000737151413 598421543 /nfs/dbraw/zinc/42/15/43/598421543.db2.gz BNBBUAMAJHFSKG-CYBMUJFWSA-N -1 3 382.420 3.058 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000737151413 598421545 /nfs/dbraw/zinc/42/15/45/598421545.db2.gz BNBBUAMAJHFSKG-CYBMUJFWSA-N -1 3 382.420 3.058 20 0 GGADHM CC(C)COc1ccc(C(C)(C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735837076 598421867 /nfs/dbraw/zinc/42/18/67/598421867.db2.gz FOXWQVHSCAYSMH-UHFFFAOYSA-N -1 3 393.491 3.496 20 0 GGADHM CC(C)COc1ccc(C(C)(C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735837076 598421869 /nfs/dbraw/zinc/42/18/69/598421869.db2.gz FOXWQVHSCAYSMH-UHFFFAOYSA-N -1 3 393.491 3.496 20 0 GGADHM C[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736107064 598422108 /nfs/dbraw/zinc/42/21/08/598422108.db2.gz WVSWATLPVZHSGD-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736107064 598422110 /nfs/dbraw/zinc/42/21/10/598422110.db2.gz WVSWATLPVZHSGD-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737815695 598423264 /nfs/dbraw/zinc/42/32/64/598423264.db2.gz ZZBPWNBPLQQFBF-AWEZNQCLSA-N -1 3 388.431 3.414 20 0 GGADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737815695 598423265 /nfs/dbraw/zinc/42/32/65/598423265.db2.gz ZZBPWNBPLQQFBF-AWEZNQCLSA-N -1 3 388.431 3.414 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nnc(C(F)F)s1 ZINC000735873193 598425500 /nfs/dbraw/zinc/42/55/00/598425500.db2.gz BLHAFGAOIYLYIT-UHFFFAOYSA-N -1 3 394.411 3.098 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nnc(C(F)F)s1 ZINC000735873193 598425502 /nfs/dbraw/zinc/42/55/02/598425502.db2.gz BLHAFGAOIYLYIT-UHFFFAOYSA-N -1 3 394.411 3.098 20 0 GGADHM Cc1cnccc1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000737444562 598426143 /nfs/dbraw/zinc/42/61/43/598426143.db2.gz NHOYVSPVNRILDS-UHFFFAOYSA-N -1 3 388.456 3.396 20 0 GGADHM Cc1cnccc1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000737444562 598426145 /nfs/dbraw/zinc/42/61/45/598426145.db2.gz NHOYVSPVNRILDS-UHFFFAOYSA-N -1 3 388.456 3.396 20 0 GGADHM COC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccc1 ZINC000736975663 598426367 /nfs/dbraw/zinc/42/63/67/598426367.db2.gz BHQPIUIBGIXGMF-QGZVFWFLSA-N -1 3 396.451 3.163 20 0 GGADHM COC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccc1 ZINC000736975663 598426369 /nfs/dbraw/zinc/42/63/69/598426369.db2.gz BHQPIUIBGIXGMF-QGZVFWFLSA-N -1 3 396.451 3.163 20 0 GGADHM Cc1noc(C)c1CCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737279423 598427237 /nfs/dbraw/zinc/42/72/37/598427237.db2.gz CFZUAIVFUQNZKP-UHFFFAOYSA-N -1 3 388.435 3.235 20 0 GGADHM Cc1noc(C)c1CCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737279423 598427239 /nfs/dbraw/zinc/42/72/39/598427239.db2.gz CFZUAIVFUQNZKP-UHFFFAOYSA-N -1 3 388.435 3.235 20 0 GGADHM Cc1cc(C)cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000442945931 598428089 /nfs/dbraw/zinc/42/80/89/598428089.db2.gz BCYNXLAVTSCQHI-GFCCVEGCSA-N -1 3 391.884 3.176 20 0 GGADHM Cc1cc(C)cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000442945931 598428092 /nfs/dbraw/zinc/42/80/92/598428092.db2.gz BCYNXLAVTSCQHI-GFCCVEGCSA-N -1 3 391.884 3.176 20 0 GGADHM COc1ccc(CCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737089894 598428399 /nfs/dbraw/zinc/42/83/99/598428399.db2.gz YWSHWSBGJXCDMN-UHFFFAOYSA-N -1 3 394.479 3.038 20 0 GGADHM COc1ccc(CCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737089894 598428400 /nfs/dbraw/zinc/42/84/00/598428400.db2.gz YWSHWSBGJXCDMN-UHFFFAOYSA-N -1 3 394.479 3.038 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(OC(C)C)CC1 ZINC000735904780 598431188 /nfs/dbraw/zinc/43/11/88/598431188.db2.gz BIBJCSIQFQXGGQ-UHFFFAOYSA-N -1 3 388.472 3.075 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(OC(C)C)CC1 ZINC000735904780 598431190 /nfs/dbraw/zinc/43/11/90/598431190.db2.gz BIBJCSIQFQXGGQ-UHFFFAOYSA-N -1 3 388.472 3.075 20 0 GGADHM CCCCc1ccc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)sc2c1 ZINC000736465576 598436495 /nfs/dbraw/zinc/43/64/95/598436495.db2.gz GQGKKDQFWFDEKW-UHFFFAOYSA-N -1 3 379.449 3.466 20 0 GGADHM CCCCc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)sc2c1 ZINC000736465576 598436496 /nfs/dbraw/zinc/43/64/96/598436496.db2.gz GQGKKDQFWFDEKW-UHFFFAOYSA-N -1 3 379.449 3.466 20 0 GGADHM COc1ccc([C@H](C)C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1 ZINC000737071390 598438467 /nfs/dbraw/zinc/43/84/67/598438467.db2.gz FFLCFVWPKMMHGH-JTQLQIEISA-N -1 3 388.811 3.246 20 0 GGADHM COc1ccc([C@H](C)C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1 ZINC000737071390 598438469 /nfs/dbraw/zinc/43/84/69/598438469.db2.gz FFLCFVWPKMMHGH-JTQLQIEISA-N -1 3 388.811 3.246 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)n2)c(C)c1 ZINC000737288986 598438602 /nfs/dbraw/zinc/43/86/02/598438602.db2.gz RJBLINYKEXPMJG-UHFFFAOYSA-N -1 3 377.433 3.254 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)n2)c(C)c1 ZINC000737288986 598438605 /nfs/dbraw/zinc/43/86/05/598438605.db2.gz RJBLINYKEXPMJG-UHFFFAOYSA-N -1 3 377.433 3.254 20 0 GGADHM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738177754 598439111 /nfs/dbraw/zinc/43/91/11/598439111.db2.gz NNRSBFJTEUAKFF-UHFFFAOYSA-N -1 3 382.387 3.057 20 0 GGADHM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738177754 598439112 /nfs/dbraw/zinc/43/91/12/598439112.db2.gz NNRSBFJTEUAKFF-UHFFFAOYSA-N -1 3 382.387 3.057 20 0 GGADHM COc1ccc([C@H](C)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737071324 598439267 /nfs/dbraw/zinc/43/92/67/598439267.db2.gz DOOUTMNJQQOFRN-AWEZNQCLSA-N -1 3 397.504 3.028 20 0 GGADHM COc1ccc([C@H](C)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737071324 598439269 /nfs/dbraw/zinc/43/92/69/598439269.db2.gz DOOUTMNJQQOFRN-AWEZNQCLSA-N -1 3 397.504 3.028 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cccc(C(=O)NCC(C)C)c1 ZINC000736628215 598439612 /nfs/dbraw/zinc/43/96/12/598439612.db2.gz UKOFUMWHISVSRD-UHFFFAOYSA-N -1 3 395.463 3.230 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cccc(C(=O)NCC(C)C)c1 ZINC000736628215 598439614 /nfs/dbraw/zinc/43/96/14/598439614.db2.gz UKOFUMWHISVSRD-UHFFFAOYSA-N -1 3 395.463 3.230 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000737151383 598439749 /nfs/dbraw/zinc/43/97/49/598439749.db2.gz FPDJQLOTUZWPPS-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000737151383 598439750 /nfs/dbraw/zinc/43/97/50/598439750.db2.gz FPDJQLOTUZWPPS-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737151809 598440147 /nfs/dbraw/zinc/44/01/47/598440147.db2.gz HGDWGQHBSKZTBM-UHFFFAOYSA-N -1 3 380.433 3.141 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737151809 598440148 /nfs/dbraw/zinc/44/01/48/598440148.db2.gz HGDWGQHBSKZTBM-UHFFFAOYSA-N -1 3 380.433 3.141 20 0 GGADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C(C)(C)C)C3)n1 ZINC000737611858 598441834 /nfs/dbraw/zinc/44/18/34/598441834.db2.gz JHDNIFKTLRMYTE-JTQLQIEISA-N -1 3 385.497 3.065 20 0 GGADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C(C)(C)C)C3)n1 ZINC000737611858 598441836 /nfs/dbraw/zinc/44/18/36/598441836.db2.gz JHDNIFKTLRMYTE-JTQLQIEISA-N -1 3 385.497 3.065 20 0 GGADHM CC(C)COc1ccc(C(C)(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000517681224 598442680 /nfs/dbraw/zinc/44/26/80/598442680.db2.gz PFHWPRICOCIXDK-UHFFFAOYSA-N -1 3 393.491 3.496 20 0 GGADHM CC(C)COc1ccc(C(C)(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000517681224 598442681 /nfs/dbraw/zinc/44/26/81/598442681.db2.gz PFHWPRICOCIXDK-UHFFFAOYSA-N -1 3 393.491 3.496 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000736478987 598443101 /nfs/dbraw/zinc/44/31/01/598443101.db2.gz HEVMJSAPHNSZOH-OAHLLOKOSA-N -1 3 379.464 3.418 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000736478987 598443103 /nfs/dbraw/zinc/44/31/03/598443103.db2.gz HEVMJSAPHNSZOH-OAHLLOKOSA-N -1 3 379.464 3.418 20 0 GGADHM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1C(N)=O ZINC000737360564 598445959 /nfs/dbraw/zinc/44/59/59/598445959.db2.gz QOKLMIFBVQQBTK-UHFFFAOYSA-N -1 3 398.426 3.193 20 0 GGADHM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000737360564 598445961 /nfs/dbraw/zinc/44/59/61/598445961.db2.gz QOKLMIFBVQQBTK-UHFFFAOYSA-N -1 3 398.426 3.193 20 0 GGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737997889 598446105 /nfs/dbraw/zinc/44/61/05/598446105.db2.gz ZTDLQNIQMAHFHO-IBGZPJMESA-N -1 3 384.443 3.366 20 0 GGADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737997889 598446106 /nfs/dbraw/zinc/44/61/06/598446106.db2.gz ZTDLQNIQMAHFHO-IBGZPJMESA-N -1 3 384.443 3.366 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000736171268 598446307 /nfs/dbraw/zinc/44/63/07/598446307.db2.gz VDXBFGIWJYORKH-CYBMUJFWSA-N -1 3 397.866 3.135 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c(OCc2ccccc2)c1 ZINC000737359921 598447346 /nfs/dbraw/zinc/44/73/46/598447346.db2.gz IFLXTGGYVCLISY-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c(OCc2ccccc2)c1 ZINC000737359921 598447347 /nfs/dbraw/zinc/44/73/47/598447347.db2.gz IFLXTGGYVCLISY-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1cccc(C2(NC(=O)COc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737391142 598447590 /nfs/dbraw/zinc/44/75/90/598447590.db2.gz YXCJOJLKZJVUEC-UHFFFAOYSA-N -1 3 377.448 3.140 20 0 GGADHM CCOc1ccc([C@H]2CCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736637492 598453621 /nfs/dbraw/zinc/45/36/21/598453621.db2.gz QFRPDHCZDBEPHC-MRXNPFEDSA-N -1 3 398.492 3.103 20 0 GGADHM CCOc1ccc([C@H]2CCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736637492 598453623 /nfs/dbraw/zinc/45/36/23/598453623.db2.gz QFRPDHCZDBEPHC-MRXNPFEDSA-N -1 3 398.492 3.103 20 0 GGADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738151666 598454785 /nfs/dbraw/zinc/45/47/85/598454785.db2.gz SDSNLPAHQGFURU-UHFFFAOYSA-N -1 3 384.268 3.168 20 0 GGADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738151666 598454787 /nfs/dbraw/zinc/45/47/87/598454787.db2.gz SDSNLPAHQGFURU-UHFFFAOYSA-N -1 3 384.268 3.168 20 0 GGADHM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737995400 598456213 /nfs/dbraw/zinc/45/62/13/598456213.db2.gz KNUSIPBXRBXPNB-FQEVSTJZSA-N -1 3 385.427 3.417 20 0 GGADHM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737995400 598456214 /nfs/dbraw/zinc/45/62/14/598456214.db2.gz KNUSIPBXRBXPNB-FQEVSTJZSA-N -1 3 385.427 3.417 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737895375 598456865 /nfs/dbraw/zinc/45/68/65/598456865.db2.gz PIGNKCBXLDRIDR-KRWDZBQOSA-N -1 3 376.464 3.075 20 0 GGADHM Fc1ccc([C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737651380 598458071 /nfs/dbraw/zinc/45/80/71/598458071.db2.gz UDBDZTPIPHCHBV-OAHLLOKOSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1ccc([C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737651380 598458073 /nfs/dbraw/zinc/45/80/73/598458073.db2.gz UDBDZTPIPHCHBV-OAHLLOKOSA-N -1 3 377.782 3.376 20 0 GGADHM Cc1oc(NC(=O)CN2CCCc3c(C)cc(C)cc32)c(-c2nnn[n-]2)c1C ZINC000737249075 598462516 /nfs/dbraw/zinc/46/25/16/598462516.db2.gz RLIBTDWUZNEAGL-UHFFFAOYSA-N -1 3 380.452 3.085 20 0 GGADHM Cn1ccc(NC(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737614498 598464090 /nfs/dbraw/zinc/46/40/90/598464090.db2.gz YKXIQROEIQOYLO-UHFFFAOYSA-N -1 3 391.460 3.145 20 0 GGADHM Cn1ccc(NC(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737614498 598464091 /nfs/dbraw/zinc/46/40/91/598464091.db2.gz YKXIQROEIQOYLO-UHFFFAOYSA-N -1 3 391.460 3.145 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000736812021 598470310 /nfs/dbraw/zinc/47/03/10/598470310.db2.gz AMXNNSCPNNDQDK-UHFFFAOYSA-N -1 3 396.882 3.393 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000736812021 598470311 /nfs/dbraw/zinc/47/03/11/598470311.db2.gz AMXNNSCPNNDQDK-UHFFFAOYSA-N -1 3 396.882 3.393 20 0 GGADHM CCc1oc2ccccc2c1CN(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736714321 598471741 /nfs/dbraw/zinc/47/17/41/598471741.db2.gz XDELIYOQAMJXSX-UHFFFAOYSA-N -1 3 391.431 3.213 20 0 GGADHM CCc1oc2ccccc2c1CN(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736714321 598471743 /nfs/dbraw/zinc/47/17/43/598471743.db2.gz XDELIYOQAMJXSX-UHFFFAOYSA-N -1 3 391.431 3.213 20 0 GGADHM O=C(CCc1ccc(OC(F)(F)F)cc1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737856900 598473363 /nfs/dbraw/zinc/47/33/63/598473363.db2.gz HFOLGLWROANSJC-UHFFFAOYSA-N -1 3 392.337 3.441 20 0 GGADHM O=C(CCc1ccc(OC(F)(F)F)cc1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737856900 598473364 /nfs/dbraw/zinc/47/33/64/598473364.db2.gz HFOLGLWROANSJC-UHFFFAOYSA-N -1 3 392.337 3.441 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000735488027 598474014 /nfs/dbraw/zinc/47/40/14/598474014.db2.gz GFGVGUYRTQCYIT-UHFFFAOYSA-N -1 3 391.435 3.022 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000735488027 598474016 /nfs/dbraw/zinc/47/40/16/598474016.db2.gz GFGVGUYRTQCYIT-UHFFFAOYSA-N -1 3 391.435 3.022 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCSC(C)(C)C ZINC000735906726 598476061 /nfs/dbraw/zinc/47/60/61/598476061.db2.gz URPVFGVFJLVGAG-UHFFFAOYSA-N -1 3 378.502 3.307 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCSC(C)(C)C ZINC000735906726 598476063 /nfs/dbraw/zinc/47/60/63/598476063.db2.gz URPVFGVFJLVGAG-UHFFFAOYSA-N -1 3 378.502 3.307 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000736240519 598477476 /nfs/dbraw/zinc/47/74/76/598477476.db2.gz VFVXORMNZDGEDM-UGSOOPFHSA-N -1 3 392.463 3.457 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000736240519 598477478 /nfs/dbraw/zinc/47/74/78/598477478.db2.gz VFVXORMNZDGEDM-UGSOOPFHSA-N -1 3 392.463 3.457 20 0 GGADHM C[C@@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)cc1 ZINC000736017425 598479469 /nfs/dbraw/zinc/47/94/69/598479469.db2.gz NKYDWIWMKLUKRA-AWEZNQCLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)cc1 ZINC000736017425 598479470 /nfs/dbraw/zinc/47/94/70/598479470.db2.gz NKYDWIWMKLUKRA-AWEZNQCLSA-N -1 3 394.454 3.484 20 0 GGADHM O=C(NCc1cc2ccccc2[nH]1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738102664 598480632 /nfs/dbraw/zinc/48/06/32/598480632.db2.gz VOJIGTWDPMNSOB-UHFFFAOYSA-N -1 3 387.447 3.222 20 0 GGADHM O=C(NCc1cc2ccccc2[nH]1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738102664 598480634 /nfs/dbraw/zinc/48/06/34/598480634.db2.gz VOJIGTWDPMNSOB-UHFFFAOYSA-N -1 3 387.447 3.222 20 0 GGADHM COCCn1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000737016094 598481570 /nfs/dbraw/zinc/48/15/70/598481570.db2.gz IXUXYYLXOZSGAY-AWEZNQCLSA-N -1 3 391.431 3.386 20 0 GGADHM COCCn1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000737016094 598481571 /nfs/dbraw/zinc/48/15/71/598481571.db2.gz IXUXYYLXOZSGAY-AWEZNQCLSA-N -1 3 391.431 3.386 20 0 GGADHM CC(=O)CCc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735458072 598482231 /nfs/dbraw/zinc/48/22/31/598482231.db2.gz IDBLLMANDKJLHI-HNNXBMFYSA-N -1 3 394.431 3.072 20 0 GGADHM CC(=O)CCc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735458072 598482233 /nfs/dbraw/zinc/48/22/33/598482233.db2.gz IDBLLMANDKJLHI-HNNXBMFYSA-N -1 3 394.431 3.072 20 0 GGADHM CC(C)NC(=O)Nc1cccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735888518 598483598 /nfs/dbraw/zinc/48/35/98/598483598.db2.gz LRRWUTFORIGBMB-CYBMUJFWSA-N -1 3 394.435 3.315 20 0 GGADHM CC(C)NC(=O)Nc1cccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735888518 598483600 /nfs/dbraw/zinc/48/36/00/598483600.db2.gz LRRWUTFORIGBMB-CYBMUJFWSA-N -1 3 394.435 3.315 20 0 GGADHM Cc1nc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cs1 ZINC000737471798 598484198 /nfs/dbraw/zinc/48/41/98/598484198.db2.gz UIQDNMKTSDUHCS-JTQLQIEISA-N -1 3 387.469 3.302 20 0 GGADHM Cc1nc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cs1 ZINC000737471798 598484200 /nfs/dbraw/zinc/48/42/00/598484200.db2.gz UIQDNMKTSDUHCS-JTQLQIEISA-N -1 3 387.469 3.302 20 0 GGADHM CC(C)Oc1cccc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735913847 598484984 /nfs/dbraw/zinc/48/49/84/598484984.db2.gz SSENXMXZEXSGRC-UHFFFAOYSA-N -1 3 384.461 3.493 20 0 GGADHM CC(C)Oc1cccc(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735913847 598484985 /nfs/dbraw/zinc/48/49/85/598484985.db2.gz SSENXMXZEXSGRC-UHFFFAOYSA-N -1 3 384.461 3.493 20 0 GGADHM CCOc1cccc2c1OCC(C(=O)O[C@H](C)c1cccc(-c3nnn[n-]3)c1)=C2 ZINC000736655791 598484988 /nfs/dbraw/zinc/48/49/88/598484988.db2.gz UMJHDLIQUZHHAX-CYBMUJFWSA-N -1 3 392.415 3.346 20 0 GGADHM CCOc1cccc2c1OCC(C(=O)O[C@H](C)c1cccc(-c3nn[n-]n3)c1)=C2 ZINC000736655791 598484990 /nfs/dbraw/zinc/48/49/90/598484990.db2.gz UMJHDLIQUZHHAX-CYBMUJFWSA-N -1 3 392.415 3.346 20 0 GGADHM Cc1ccnn1-c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737446174 598487264 /nfs/dbraw/zinc/48/72/64/598487264.db2.gz SVFXXXQELKBISM-UHFFFAOYSA-N -1 3 390.451 3.170 20 0 GGADHM Cc1ccnn1-c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737446174 598487266 /nfs/dbraw/zinc/48/72/66/598487266.db2.gz SVFXXXQELKBISM-UHFFFAOYSA-N -1 3 390.451 3.170 20 0 GGADHM C[C@@H](OC(=O)CCc1cnn(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147085 598490031 /nfs/dbraw/zinc/49/00/31/598490031.db2.gz AFVJLXZLEQTXKD-OAHLLOKOSA-N -1 3 388.431 3.289 20 0 GGADHM C[C@@H](OC(=O)CCc1cnn(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147085 598490033 /nfs/dbraw/zinc/49/00/33/598490033.db2.gz AFVJLXZLEQTXKD-OAHLLOKOSA-N -1 3 388.431 3.289 20 0 GGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736172552 598491229 /nfs/dbraw/zinc/49/12/29/598491229.db2.gz AIXXQUFBVOXOIY-SNVBAGLBSA-N -1 3 390.394 3.107 20 0 GGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736172552 598491231 /nfs/dbraw/zinc/49/12/31/598491231.db2.gz AIXXQUFBVOXOIY-SNVBAGLBSA-N -1 3 390.394 3.107 20 0 GGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737127617 598491331 /nfs/dbraw/zinc/49/13/31/598491331.db2.gz LYUNYUQJHBFFRU-HZPDHXFCSA-N -1 3 380.452 3.174 20 0 GGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737127617 598491333 /nfs/dbraw/zinc/49/13/33/598491333.db2.gz LYUNYUQJHBFFRU-HZPDHXFCSA-N -1 3 380.452 3.174 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccccc1OCC(F)(F)F ZINC000737797994 598492309 /nfs/dbraw/zinc/49/23/09/598492309.db2.gz GAJMBUQTLSAMFJ-MDZDMXLPSA-N -1 3 390.321 3.427 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccccc1OCC(F)(F)F ZINC000737797994 598492310 /nfs/dbraw/zinc/49/23/10/598492310.db2.gz GAJMBUQTLSAMFJ-MDZDMXLPSA-N -1 3 390.321 3.427 20 0 GGADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000737042842 598492382 /nfs/dbraw/zinc/49/23/82/598492382.db2.gz SUEZVMQFGVUUNW-JTQLQIEISA-N -1 3 390.346 3.395 20 0 GGADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000737042842 598492383 /nfs/dbraw/zinc/49/23/83/598492383.db2.gz SUEZVMQFGVUUNW-JTQLQIEISA-N -1 3 390.346 3.395 20 0 GGADHM CC1CCC(OC2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000736244234 598494368 /nfs/dbraw/zinc/49/43/68/598494368.db2.gz FXEVHGVJXPNYCW-UHFFFAOYSA-N -1 3 397.523 3.386 20 0 GGADHM CC1CCC(OC2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000736244234 598494369 /nfs/dbraw/zinc/49/43/69/598494369.db2.gz FXEVHGVJXPNYCW-UHFFFAOYSA-N -1 3 397.523 3.386 20 0 GGADHM CCCCCC[C@@H](C)CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736446129 598495784 /nfs/dbraw/zinc/49/57/84/598495784.db2.gz NHEPZMBXLMXFRV-MRXNPFEDSA-N -1 3 399.543 3.343 20 0 GGADHM CCCCCC[C@@H](C)CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736446129 598495785 /nfs/dbraw/zinc/49/57/85/598495785.db2.gz NHEPZMBXLMXFRV-MRXNPFEDSA-N -1 3 399.543 3.343 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2CCCOC2)cc1 ZINC000737032981 598498489 /nfs/dbraw/zinc/49/84/89/598498489.db2.gz RPVZRNVWQYBPSA-CQSZACIVSA-N -1 3 395.419 3.033 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CCCOC2)cc1 ZINC000737032981 598498491 /nfs/dbraw/zinc/49/84/91/598498491.db2.gz RPVZRNVWQYBPSA-CQSZACIVSA-N -1 3 395.419 3.033 20 0 GGADHM CC1CCC(OC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)CC1 ZINC000736244655 598502031 /nfs/dbraw/zinc/50/20/31/598502031.db2.gz LOATZBMTGFGGAT-UHFFFAOYSA-N -1 3 382.512 3.315 20 0 GGADHM CC1CCC(OC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)CC1 ZINC000736244655 598502033 /nfs/dbraw/zinc/50/20/33/598502033.db2.gz LOATZBMTGFGGAT-UHFFFAOYSA-N -1 3 382.512 3.315 20 0 GGADHM CC(C)c1ccc(SCC(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735928967 598512236 /nfs/dbraw/zinc/51/22/36/598512236.db2.gz TWSYVLJINYFMKR-UHFFFAOYSA-N -1 3 398.492 3.133 20 0 GGADHM CC(C)c1ccc(SCC(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735928967 598512238 /nfs/dbraw/zinc/51/22/38/598512238.db2.gz TWSYVLJINYFMKR-UHFFFAOYSA-N -1 3 398.492 3.133 20 0 GGADHM Fc1ccc(-c2noc(CSCCOc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737650383 598512247 /nfs/dbraw/zinc/51/22/47/598512247.db2.gz OQENJTHSAXQUSQ-UHFFFAOYSA-N -1 3 398.423 3.368 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H](c2ccccc2)n2cccn2)c1-c1nnn[n-]1 ZINC000736671250 598513723 /nfs/dbraw/zinc/51/37/23/598513723.db2.gz VLJBGEZLUVIWKV-INIZCTEOSA-N -1 3 393.476 3.224 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H](c2ccccc2)n2cccn2)c1-c1nn[n-]n1 ZINC000736671250 598513725 /nfs/dbraw/zinc/51/37/25/598513725.db2.gz VLJBGEZLUVIWKV-INIZCTEOSA-N -1 3 393.476 3.224 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737148216 598514568 /nfs/dbraw/zinc/51/45/68/598514568.db2.gz OWZDUBCOIUUMOM-MRXNPFEDSA-N -1 3 380.477 3.409 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737148216 598514570 /nfs/dbraw/zinc/51/45/70/598514570.db2.gz OWZDUBCOIUUMOM-MRXNPFEDSA-N -1 3 380.477 3.409 20 0 GGADHM CCC(=O)Nc1cccc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)c1 ZINC000736309135 598514632 /nfs/dbraw/zinc/51/46/32/598514632.db2.gz KVCMFDMDZDPYFH-UHFFFAOYSA-N -1 3 384.465 3.400 20 0 GGADHM CCC(=O)Nc1cccc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)c1 ZINC000736309135 598514634 /nfs/dbraw/zinc/51/46/34/598514634.db2.gz KVCMFDMDZDPYFH-UHFFFAOYSA-N -1 3 384.465 3.400 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3F)c2)c1-c1nnn[n-]1 ZINC000736675303 598515615 /nfs/dbraw/zinc/51/56/15/598515615.db2.gz JUIHNFAFGHCZCQ-UHFFFAOYSA-N -1 3 397.439 3.376 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3F)c2)c1-c1nn[n-]n1 ZINC000736675303 598515616 /nfs/dbraw/zinc/51/56/16/598515616.db2.gz JUIHNFAFGHCZCQ-UHFFFAOYSA-N -1 3 397.439 3.376 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000736670733 598517056 /nfs/dbraw/zinc/51/70/56/598517056.db2.gz PTUGMKXLAJADLR-JTQLQIEISA-N -1 3 387.465 3.214 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000736670733 598517058 /nfs/dbraw/zinc/51/70/58/598517058.db2.gz PTUGMKXLAJADLR-JTQLQIEISA-N -1 3 387.465 3.214 20 0 GGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000736669347 598518487 /nfs/dbraw/zinc/51/84/87/598518487.db2.gz FMVFQHHSYMGMRX-ALCCZGGFSA-N -1 3 383.433 3.180 20 0 GGADHM CCc1c(C)sc(NC(=O)C=Cc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000736669347 598518488 /nfs/dbraw/zinc/51/84/88/598518488.db2.gz FMVFQHHSYMGMRX-ALCCZGGFSA-N -1 3 383.433 3.180 20 0 GGADHM CCc1ccc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736684616 598533252 /nfs/dbraw/zinc/53/32/52/598533252.db2.gz BFBGYXPFKVLEEQ-KBPBESRZSA-N -1 3 393.447 3.103 20 0 GGADHM CCc1ccc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736684616 598533254 /nfs/dbraw/zinc/53/32/54/598533254.db2.gz BFBGYXPFKVLEEQ-KBPBESRZSA-N -1 3 393.447 3.103 20 0 GGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737473268 598533338 /nfs/dbraw/zinc/53/33/38/598533338.db2.gz CNUPEMLLSAZCFH-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737473268 598533340 /nfs/dbraw/zinc/53/33/40/598533340.db2.gz CNUPEMLLSAZCFH-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735496629 598536736 /nfs/dbraw/zinc/53/67/36/598536736.db2.gz DCLCODTUPQNEFC-UHFFFAOYSA-N -1 3 387.193 3.051 20 0 GGADHM CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735496629 598536737 /nfs/dbraw/zinc/53/67/37/598536737.db2.gz DCLCODTUPQNEFC-UHFFFAOYSA-N -1 3 387.193 3.051 20 0 GGADHM CC(C)CNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735838189 598536956 /nfs/dbraw/zinc/53/69/56/598536956.db2.gz DRKXOJFYCKQDSA-UHFFFAOYSA-N -1 3 382.493 3.388 20 0 GGADHM CC(C)CNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735838189 598536958 /nfs/dbraw/zinc/53/69/58/598536958.db2.gz DRKXOJFYCKQDSA-UHFFFAOYSA-N -1 3 382.493 3.388 20 0 GGADHM COc1ccc(OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737108265 598537419 /nfs/dbraw/zinc/53/74/19/598537419.db2.gz JMPQUKWHQQEENJ-UHFFFAOYSA-N -1 3 392.371 3.267 20 0 GGADHM CN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736828722 598537507 /nfs/dbraw/zinc/53/75/07/598537507.db2.gz RCBYAHUJNYTSEJ-UHFFFAOYSA-N -1 3 389.415 3.311 20 0 GGADHM O=C(OCc1ccccc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738234532 598539509 /nfs/dbraw/zinc/53/95/09/598539509.db2.gz IQWXLFSHMNRAJC-UHFFFAOYSA-N -1 3 376.372 3.396 20 0 GGADHM O=C(NCc1ccsc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738125130 598541307 /nfs/dbraw/zinc/54/13/07/598541307.db2.gz VITPALSMBILYFJ-UHFFFAOYSA-N -1 3 381.417 3.030 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000736170285 598541418 /nfs/dbraw/zinc/54/14/18/598541418.db2.gz SUVGVXDGCNQBEZ-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM CC(C)Cc1nc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cs1 ZINC000735851080 598542986 /nfs/dbraw/zinc/54/29/86/598542986.db2.gz LJCSQBRCUYSMDK-UHFFFAOYSA-N -1 3 394.407 3.375 20 0 GGADHM CC(C)Cc1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cs1 ZINC000735851080 598542987 /nfs/dbraw/zinc/54/29/87/598542987.db2.gz LJCSQBRCUYSMDK-UHFFFAOYSA-N -1 3 394.407 3.375 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000737062740 598543826 /nfs/dbraw/zinc/54/38/26/598543826.db2.gz LYTWXKAAMWYDLU-CQSZACIVSA-N -1 3 380.452 3.245 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000737062740 598543827 /nfs/dbraw/zinc/54/38/27/598543827.db2.gz LYTWXKAAMWYDLU-CQSZACIVSA-N -1 3 380.452 3.245 20 0 GGADHM Cc1ccc2c(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)c[nH]c2c1 ZINC000737372275 598544020 /nfs/dbraw/zinc/54/40/20/598544020.db2.gz WPFPUGZDDVPCCW-UHFFFAOYSA-N -1 3 398.373 3.439 20 0 GGADHM Cc1ccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)c[nH]c2c1 ZINC000737372275 598544022 /nfs/dbraw/zinc/54/40/22/598544022.db2.gz WPFPUGZDDVPCCW-UHFFFAOYSA-N -1 3 398.373 3.439 20 0 GGADHM O=C(CC[C@@H]1CCCO1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737826095 598544130 /nfs/dbraw/zinc/54/41/30/598544130.db2.gz PFTZMQRPXCHTSR-SFHVURJKSA-N -1 3 393.447 3.343 20 0 GGADHM O=C(CC[C@@H]1CCCO1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737826095 598544132 /nfs/dbraw/zinc/54/41/32/598544132.db2.gz PFTZMQRPXCHTSR-SFHVURJKSA-N -1 3 393.447 3.343 20 0 GGADHM O=C(C=Cc1cccnc1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737800168 598544243 /nfs/dbraw/zinc/54/42/43/598544243.db2.gz KLROZSJONGRJQX-WDZFZDKYSA-N -1 3 398.426 3.493 20 0 GGADHM O=C(C=Cc1cccnc1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737800168 598544244 /nfs/dbraw/zinc/54/42/44/598544244.db2.gz KLROZSJONGRJQX-WDZFZDKYSA-N -1 3 398.426 3.493 20 0 GGADHM CC(C)(C)c1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000735656175 598544837 /nfs/dbraw/zinc/54/48/37/598544837.db2.gz WEELOVZLZXWAEK-UHFFFAOYSA-N -1 3 394.407 3.474 20 0 GGADHM CC(C)(C)c1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000735656175 598544838 /nfs/dbraw/zinc/54/48/38/598544838.db2.gz WEELOVZLZXWAEK-UHFFFAOYSA-N -1 3 394.407 3.474 20 0 GGADHM COc1cc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737046474 598545034 /nfs/dbraw/zinc/54/50/34/598545034.db2.gz DHDAZFIIWJPATR-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM COc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737046474 598545036 /nfs/dbraw/zinc/54/50/36/598545036.db2.gz DHDAZFIIWJPATR-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc(-c2ccccc2)no1 ZINC000738146037 598545836 /nfs/dbraw/zinc/54/58/36/598545836.db2.gz OGHNYJOMOZJETP-UHFFFAOYSA-N -1 3 398.329 3.375 20 0 GGADHM Cc1ccc(OCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000737364997 598547182 /nfs/dbraw/zinc/54/71/82/598547182.db2.gz NDYKNRALBVYECG-UHFFFAOYSA-N -1 3 389.362 3.102 20 0 GGADHM Cc1ccc(OCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000737364997 598547183 /nfs/dbraw/zinc/54/71/83/598547183.db2.gz NDYKNRALBVYECG-UHFFFAOYSA-N -1 3 389.362 3.102 20 0 GGADHM CCC1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736408909 598547937 /nfs/dbraw/zinc/54/79/37/598547937.db2.gz KZWWSGRKZKRXLQ-UHFFFAOYSA-N -1 3 381.436 3.301 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1cccs1 ZINC000735590279 598548513 /nfs/dbraw/zinc/54/85/13/598548513.db2.gz XHEWHOYGANGMOM-INIZCTEOSA-N -1 3 389.456 3.350 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1cccs1 ZINC000735590279 598548515 /nfs/dbraw/zinc/54/85/15/598548515.db2.gz XHEWHOYGANGMOM-INIZCTEOSA-N -1 3 389.456 3.350 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735963925 598549749 /nfs/dbraw/zinc/54/97/49/598549749.db2.gz RENFQFRABPXEFD-CQSZACIVSA-N -1 3 395.438 3.212 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735963925 598549751 /nfs/dbraw/zinc/54/97/51/598549751.db2.gz RENFQFRABPXEFD-CQSZACIVSA-N -1 3 395.438 3.212 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736653089 598549863 /nfs/dbraw/zinc/54/98/63/598549863.db2.gz FVKPIZJWNKAMPH-KRWDZBQOSA-N -1 3 399.426 3.051 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736653089 598549864 /nfs/dbraw/zinc/54/98/64/598549864.db2.gz FVKPIZJWNKAMPH-KRWDZBQOSA-N -1 3 399.426 3.051 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1c(Cl)cccc1Cl ZINC000737921132 598551040 /nfs/dbraw/zinc/55/10/40/598551040.db2.gz UXXUJTCOLSEIOG-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1c(Cl)cccc1Cl ZINC000737921132 598551041 /nfs/dbraw/zinc/55/10/41/598551041.db2.gz UXXUJTCOLSEIOG-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM CSC[C@@H](C)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737180866 598553551 /nfs/dbraw/zinc/55/35/51/598553551.db2.gz SGHNFVQUEDCNHN-CYBMUJFWSA-N -1 3 383.477 3.383 20 0 GGADHM CSC[C@@H](C)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737180866 598553553 /nfs/dbraw/zinc/55/35/53/598553553.db2.gz SGHNFVQUEDCNHN-CYBMUJFWSA-N -1 3 383.477 3.383 20 0 GGADHM CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736504478 598554781 /nfs/dbraw/zinc/55/47/81/598554781.db2.gz DYCJWHLXTWVFTD-MRXNPFEDSA-N -1 3 393.491 3.288 20 0 GGADHM CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736504478 598554783 /nfs/dbraw/zinc/55/47/83/598554783.db2.gz DYCJWHLXTWVFTD-MRXNPFEDSA-N -1 3 393.491 3.288 20 0 GGADHM CCN(CC)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736521751 598560102 /nfs/dbraw/zinc/56/01/02/598560102.db2.gz GLKXKJVCGINPAX-CQSZACIVSA-N -1 3 380.452 3.328 20 0 GGADHM CCN(CC)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736521751 598560103 /nfs/dbraw/zinc/56/01/03/598560103.db2.gz GLKXKJVCGINPAX-CQSZACIVSA-N -1 3 380.452 3.328 20 0 GGADHM CN(Cc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736828601 598560447 /nfs/dbraw/zinc/56/04/47/598560447.db2.gz PEARGJLMXMOOKY-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM CN(Cc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736828601 598560449 /nfs/dbraw/zinc/56/04/49/598560449.db2.gz PEARGJLMXMOOKY-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM CC(C)(C)SCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735643765 598561720 /nfs/dbraw/zinc/56/17/20/598561720.db2.gz RVBYIEZBWKZQIR-UHFFFAOYSA-N -1 3 386.428 3.121 20 0 GGADHM CC(C)(C)SCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735643765 598561722 /nfs/dbraw/zinc/56/17/22/598561722.db2.gz RVBYIEZBWKZQIR-UHFFFAOYSA-N -1 3 386.428 3.121 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)NC1(c2ccccc2)CC1 ZINC000738144718 598562942 /nfs/dbraw/zinc/56/29/42/598562942.db2.gz DPUDMGVRHIPFCX-UHFFFAOYSA-N -1 3 386.362 3.279 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)NC1(c2ccccc2)CC1 ZINC000738144718 598562943 /nfs/dbraw/zinc/56/29/43/598562943.db2.gz DPUDMGVRHIPFCX-UHFFFAOYSA-N -1 3 386.362 3.279 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@@H](C)O1 ZINC000736282444 598565337 /nfs/dbraw/zinc/56/53/37/598565337.db2.gz XPXRKGDHESNMFL-ZIAGYGMSSA-N -1 3 394.435 3.300 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@@H](C)O1 ZINC000736282444 598565338 /nfs/dbraw/zinc/56/53/38/598565338.db2.gz XPXRKGDHESNMFL-ZIAGYGMSSA-N -1 3 394.435 3.300 20 0 GGADHM COC[C@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736969212 598565834 /nfs/dbraw/zinc/56/58/34/598565834.db2.gz KRBXMSDUBJKQON-CYBMUJFWSA-N -1 3 382.424 3.063 20 0 GGADHM COC[C@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736969212 598565835 /nfs/dbraw/zinc/56/58/35/598565835.db2.gz KRBXMSDUBJKQON-CYBMUJFWSA-N -1 3 382.424 3.063 20 0 GGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735465243 598567862 /nfs/dbraw/zinc/56/78/62/598567862.db2.gz HNISIWCEMSYUKJ-QGZVFWFLSA-N -1 3 386.475 3.013 20 0 GGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735465243 598567864 /nfs/dbraw/zinc/56/78/64/598567864.db2.gz HNISIWCEMSYUKJ-QGZVFWFLSA-N -1 3 386.475 3.013 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736330021 598572053 /nfs/dbraw/zinc/57/20/53/598572053.db2.gz VSTQKWITDODUHP-LBPRGKRZSA-N -1 3 376.424 3.143 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736330021 598572055 /nfs/dbraw/zinc/57/20/55/598572055.db2.gz VSTQKWITDODUHP-LBPRGKRZSA-N -1 3 376.424 3.143 20 0 GGADHM O=C1CCCCCN1CCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738301605 598572344 /nfs/dbraw/zinc/57/23/44/598572344.db2.gz PLBFEBJTCXOCPH-UHFFFAOYSA-N -1 3 382.390 3.090 20 0 GGADHM O=C1CCCCCN1CCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738301605 598572346 /nfs/dbraw/zinc/57/23/46/598572346.db2.gz PLBFEBJTCXOCPH-UHFFFAOYSA-N -1 3 382.390 3.090 20 0 GGADHM CC(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000735489091 598574611 /nfs/dbraw/zinc/57/46/11/598574611.db2.gz VLXMBWOSSSHYQW-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM CC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000735489091 598574613 /nfs/dbraw/zinc/57/46/13/598574613.db2.gz VLXMBWOSSSHYQW-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM Cc1cc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737278011 598574822 /nfs/dbraw/zinc/57/48/22/598574822.db2.gz DHRWDBXZHNSARN-QGZVFWFLSA-N -1 3 383.839 3.403 20 0 GGADHM CCNC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000736578656 598575064 /nfs/dbraw/zinc/57/50/64/598575064.db2.gz XXFJIZIMILPSPV-UHFFFAOYSA-N -1 3 390.369 3.247 20 0 GGADHM CCNC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000736578656 598575065 /nfs/dbraw/zinc/57/50/65/598575065.db2.gz XXFJIZIMILPSPV-UHFFFAOYSA-N -1 3 390.369 3.247 20 0 GGADHM C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736103050 598575725 /nfs/dbraw/zinc/57/57/25/598575725.db2.gz VVDWTVREOGXSIW-ACJLOTCBSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000736136335 598575894 /nfs/dbraw/zinc/57/58/94/598575894.db2.gz GAUXOAXTPNFOBT-LLVKDONJSA-N -1 3 390.369 3.002 20 0 GGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000736136335 598575895 /nfs/dbraw/zinc/57/58/95/598575895.db2.gz GAUXOAXTPNFOBT-LLVKDONJSA-N -1 3 390.369 3.002 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737320499 598577227 /nfs/dbraw/zinc/57/72/27/598577227.db2.gz LPBAFVDEMULECL-UZLBHIALSA-N -1 3 390.491 3.330 20 0 GGADHM O=C1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CN1c1ccccc1 ZINC000738301110 598577915 /nfs/dbraw/zinc/57/79/15/598577915.db2.gz KMCWLEFYCIMXGX-LBPRGKRZSA-N -1 3 388.353 3.103 20 0 GGADHM O=C1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CN1c1ccccc1 ZINC000738301110 598577917 /nfs/dbraw/zinc/57/79/17/598577917.db2.gz KMCWLEFYCIMXGX-LBPRGKRZSA-N -1 3 388.353 3.103 20 0 GGADHM CCOc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000736646333 598578229 /nfs/dbraw/zinc/57/82/29/598578229.db2.gz FMZQUBCYPMUKSE-LJQANCHMSA-N -1 3 392.463 3.181 20 0 GGADHM Cc1ccc(N(C)C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737346029 598578631 /nfs/dbraw/zinc/57/86/31/598578631.db2.gz BVWJJERXDUWPST-LJQANCHMSA-N -1 3 376.464 3.115 20 0 GGADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCCC2)CC1 ZINC000737793239 598580037 /nfs/dbraw/zinc/58/00/37/598580037.db2.gz WWOSURVBSQVWNO-LJQANCHMSA-N -1 3 394.523 3.408 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000735875277 598581277 /nfs/dbraw/zinc/58/12/77/598581277.db2.gz QWKJHNDYZBZPQV-GOSISDBHSA-N -1 3 377.448 3.170 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000735875277 598581278 /nfs/dbraw/zinc/58/12/78/598581278.db2.gz QWKJHNDYZBZPQV-GOSISDBHSA-N -1 3 377.448 3.170 20 0 GGADHM CCOCCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000736611111 598581837 /nfs/dbraw/zinc/58/18/37/598581837.db2.gz MKKDQOMCJZWOIO-UHFFFAOYSA-N -1 3 383.427 3.274 20 0 GGADHM CCOCCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000736611111 598581838 /nfs/dbraw/zinc/58/18/38/598581838.db2.gz MKKDQOMCJZWOIO-UHFFFAOYSA-N -1 3 383.427 3.274 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(-n2cccc2)c1 ZINC000738098736 598584014 /nfs/dbraw/zinc/58/40/14/598584014.db2.gz AXPSYKIAMHZXSG-UHFFFAOYSA-N -1 3 377.383 3.118 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(-n2cccc2)c1 ZINC000738098736 598584016 /nfs/dbraw/zinc/58/40/16/598584016.db2.gz AXPSYKIAMHZXSG-UHFFFAOYSA-N -1 3 377.383 3.118 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000738166024 598585934 /nfs/dbraw/zinc/58/59/34/598585934.db2.gz PVDZSEACRGWUPX-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000738166024 598585936 /nfs/dbraw/zinc/58/59/36/598585936.db2.gz PVDZSEACRGWUPX-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000738167766 598587071 /nfs/dbraw/zinc/58/70/71/598587071.db2.gz UVWLUNDRILUKQW-UHFFFAOYSA-N -1 3 381.289 3.199 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000738167766 598587073 /nfs/dbraw/zinc/58/70/73/598587073.db2.gz UVWLUNDRILUKQW-UHFFFAOYSA-N -1 3 381.289 3.199 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(Sc2ccccc2)CC1 ZINC000737799102 598587943 /nfs/dbraw/zinc/58/79/43/598587943.db2.gz JDANRBKFHYBQJK-KHPPLWFESA-N -1 3 377.473 3.321 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(Sc2ccccc2)CC1 ZINC000737799102 598587945 /nfs/dbraw/zinc/58/79/45/598587945.db2.gz JDANRBKFHYBQJK-KHPPLWFESA-N -1 3 377.473 3.321 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737916642 598588122 /nfs/dbraw/zinc/58/81/22/598588122.db2.gz POFWHHUJUQKDGT-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737916642 598588124 /nfs/dbraw/zinc/58/81/24/598588124.db2.gz POFWHHUJUQKDGT-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM CS[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737172713 598592341 /nfs/dbraw/zinc/59/23/41/598592341.db2.gz USNIMSDKUYAXAZ-LLVKDONJSA-N -1 3 387.440 3.275 20 0 GGADHM CS[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737172713 598592342 /nfs/dbraw/zinc/59/23/42/598592342.db2.gz USNIMSDKUYAXAZ-LLVKDONJSA-N -1 3 387.440 3.275 20 0 GGADHM CCc1ccc2c(CNc3cc(-c4nnn[n-]4)ccc3OC)cc(=O)oc2c1 ZINC000736692348 598592990 /nfs/dbraw/zinc/59/29/90/598592990.db2.gz TUUPGVOQKRDIHU-UHFFFAOYSA-N -1 3 377.404 3.156 20 0 GGADHM CCc1ccc2c(CNc3cc(-c4nn[n-]n4)ccc3OC)cc(=O)oc2c1 ZINC000736692348 598592991 /nfs/dbraw/zinc/59/29/91/598592991.db2.gz TUUPGVOQKRDIHU-UHFFFAOYSA-N -1 3 377.404 3.156 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(=O)oc2cc(C)ccc12 ZINC000736634087 598593038 /nfs/dbraw/zinc/59/30/38/598593038.db2.gz GMSDFATVOKIWST-UHFFFAOYSA-N -1 3 377.404 3.292 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2cc(C)ccc12 ZINC000736634087 598593040 /nfs/dbraw/zinc/59/30/40/598593040.db2.gz GMSDFATVOKIWST-UHFFFAOYSA-N -1 3 377.404 3.292 20 0 GGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000442939155 598594206 /nfs/dbraw/zinc/59/42/06/598594206.db2.gz ILRSBBOEKLLVAB-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000442939155 598594208 /nfs/dbraw/zinc/59/42/08/598594208.db2.gz ILRSBBOEKLLVAB-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM Cc1[nH]c2c(cccc2C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000826233166 607362236 /nfs/dbraw/zinc/36/22/36/607362236.db2.gz WJDYVWYKJUOJBN-UHFFFAOYSA-N -1 3 375.388 3.005 20 0 GGADHM Cc1[nH]c2c(cccc2C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000826233166 607362238 /nfs/dbraw/zinc/36/22/38/607362238.db2.gz WJDYVWYKJUOJBN-UHFFFAOYSA-N -1 3 375.388 3.005 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737065212 598598777 /nfs/dbraw/zinc/59/87/77/598598777.db2.gz DHEVXOUKZHAYRB-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737065212 598598778 /nfs/dbraw/zinc/59/87/78/598598778.db2.gz DHEVXOUKZHAYRB-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(OC)cc2)CC1 ZINC000736633565 598599245 /nfs/dbraw/zinc/59/92/45/598599245.db2.gz DHLGAYRGJVXTKI-UHFFFAOYSA-N -1 3 394.435 3.085 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(OC)cc2)CC1 ZINC000736633565 598599247 /nfs/dbraw/zinc/59/92/47/598599247.db2.gz DHLGAYRGJVXTKI-UHFFFAOYSA-N -1 3 394.435 3.085 20 0 GGADHM CCc1cccc2c(CC(=O)OCCOc3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000736696182 598599371 /nfs/dbraw/zinc/59/93/71/598599371.db2.gz XIICLSUCFWJXTI-UHFFFAOYSA-N -1 3 391.431 3.075 20 0 GGADHM CCc1cccc2c(CC(=O)OCCOc3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000736696182 598599373 /nfs/dbraw/zinc/59/93/73/598599373.db2.gz XIICLSUCFWJXTI-UHFFFAOYSA-N -1 3 391.431 3.075 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000738150634 598599980 /nfs/dbraw/zinc/59/99/80/598599980.db2.gz BAIYDTIKPSVYRM-CQSZACIVSA-N -1 3 388.790 3.305 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000738150634 598599982 /nfs/dbraw/zinc/59/99/82/598599982.db2.gz BAIYDTIKPSVYRM-CQSZACIVSA-N -1 3 388.790 3.305 20 0 GGADHM C[C@@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000736104283 598601135 /nfs/dbraw/zinc/60/11/35/598601135.db2.gz GHQKNHAIFFNSBN-CYBMUJFWSA-N -1 3 394.454 3.174 20 0 GGADHM C[C@@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCC2 ZINC000736104283 598601136 /nfs/dbraw/zinc/60/11/36/598601136.db2.gz GHQKNHAIFFNSBN-CYBMUJFWSA-N -1 3 394.454 3.174 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1Cl ZINC000737899049 598603820 /nfs/dbraw/zinc/60/38/20/598603820.db2.gz PEWLKMYJHXTCLY-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1Cl ZINC000737899049 598603822 /nfs/dbraw/zinc/60/38/22/598603822.db2.gz PEWLKMYJHXTCLY-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM c1cnc(-c2noc(-c3cccc(Oc4ccc(-c5nnn[n-]5)cc4)c3)n2)nc1 ZINC000738445101 598610779 /nfs/dbraw/zinc/61/07/79/598610779.db2.gz CGZWMIBRYHTKRC-UHFFFAOYSA-N -1 3 384.359 3.166 20 0 GGADHM c1cnc(-c2noc(-c3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)n2)nc1 ZINC000738445101 598610780 /nfs/dbraw/zinc/61/07/80/598610780.db2.gz CGZWMIBRYHTKRC-UHFFFAOYSA-N -1 3 384.359 3.166 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC1CC(c2ccccc2)C1 ZINC000737933249 598612505 /nfs/dbraw/zinc/61/25/05/598612505.db2.gz VTJMJNKDAKWUHD-UHFFFAOYSA-N -1 3 379.489 3.162 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC1CC(c2ccccc2)C1 ZINC000737933249 598612507 /nfs/dbraw/zinc/61/25/07/598612507.db2.gz VTJMJNKDAKWUHD-UHFFFAOYSA-N -1 3 379.489 3.162 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC[C@H]1Cn1cccn1 ZINC000738277204 598613087 /nfs/dbraw/zinc/61/30/87/598613087.db2.gz AFAHACBYFQHDEE-INIZCTEOSA-N -1 3 399.458 3.035 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC[C@H]1Cn1cccn1 ZINC000738277204 598613088 /nfs/dbraw/zinc/61/30/88/598613088.db2.gz AFAHACBYFQHDEE-INIZCTEOSA-N -1 3 399.458 3.035 20 0 GGADHM Cc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)n1 ZINC000737541260 598616701 /nfs/dbraw/zinc/61/67/01/598616701.db2.gz ZQZVIFDBXLOGAW-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM Cc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)n1 ZINC000737541260 598616702 /nfs/dbraw/zinc/61/67/02/598616702.db2.gz ZQZVIFDBXLOGAW-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM CC1(C)CCCN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736211161 598617426 /nfs/dbraw/zinc/61/74/26/598617426.db2.gz LWUJSXSDUQPXPW-UHFFFAOYSA-N -1 3 383.481 3.320 20 0 GGADHM CC1(C)CCCN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736211161 598617427 /nfs/dbraw/zinc/61/74/27/598617427.db2.gz LWUJSXSDUQPXPW-UHFFFAOYSA-N -1 3 383.481 3.320 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738115433 598617790 /nfs/dbraw/zinc/61/77/90/598617790.db2.gz AIDGDFDHFSVMHH-ICSRJNTNSA-N -1 3 390.491 3.467 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738115433 598617792 /nfs/dbraw/zinc/61/77/92/598617792.db2.gz AIDGDFDHFSVMHH-ICSRJNTNSA-N -1 3 390.491 3.467 20 0 GGADHM O=C(OC/C=C/c1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738220360 598620464 /nfs/dbraw/zinc/62/04/64/598620464.db2.gz GPCQWFBVUOLYID-MTCRFPMVSA-N -1 3 375.432 3.092 20 0 GGADHM O=C(COC(=O)C1(c2cccc(Cl)c2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415037 607361158 /nfs/dbraw/zinc/36/11/58/607361158.db2.gz PITDIRFMXBLWRV-UHFFFAOYSA-N -1 3 396.834 3.368 20 0 GGADHM O=C(COC(=O)C1(c2cccc(Cl)c2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415037 607361160 /nfs/dbraw/zinc/36/11/60/607361160.db2.gz PITDIRFMXBLWRV-UHFFFAOYSA-N -1 3 396.834 3.368 20 0 GGADHM COCCN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736995861 598627712 /nfs/dbraw/zinc/62/77/12/598627712.db2.gz ZCAQDEUGKAROML-UHFFFAOYSA-N -1 3 398.442 3.119 20 0 GGADHM COCCN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736995861 598627713 /nfs/dbraw/zinc/62/77/13/598627713.db2.gz ZCAQDEUGKAROML-UHFFFAOYSA-N -1 3 398.442 3.119 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000735636347 598628164 /nfs/dbraw/zinc/62/81/64/598628164.db2.gz VKSNFLAKJDNEBZ-OAHLLOKOSA-N -1 3 387.488 3.147 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000735636347 598628166 /nfs/dbraw/zinc/62/81/66/598628166.db2.gz VKSNFLAKJDNEBZ-OAHLLOKOSA-N -1 3 387.488 3.147 20 0 GGADHM Clc1cccc(-c2nnn[n-]2)c1NC[C@H](c1cccs1)N1CCOCC1 ZINC000737574408 598630420 /nfs/dbraw/zinc/63/04/20/598630420.db2.gz JZKHFOASTYMMLA-CQSZACIVSA-N -1 3 390.900 3.067 20 0 GGADHM Clc1cccc(-c2nn[n-]n2)c1NC[C@H](c1cccs1)N1CCOCC1 ZINC000737574408 598630422 /nfs/dbraw/zinc/63/04/22/598630422.db2.gz JZKHFOASTYMMLA-CQSZACIVSA-N -1 3 390.900 3.067 20 0 GGADHM Fc1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c(-c2nnn[n-]2)c1 ZINC000737657986 598631052 /nfs/dbraw/zinc/63/10/52/598631052.db2.gz BAFGEPNRNVZVOH-UHFFFAOYSA-N -1 3 378.864 3.043 20 0 GGADHM Fc1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c(-c2nn[n-]n2)c1 ZINC000737657986 598631053 /nfs/dbraw/zinc/63/10/53/598631053.db2.gz BAFGEPNRNVZVOH-UHFFFAOYSA-N -1 3 378.864 3.043 20 0 GGADHM C[C@@H](OCCCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736166106 598632000 /nfs/dbraw/zinc/63/20/00/598632000.db2.gz YPELCLHQDQJEAD-CYBMUJFWSA-N -1 3 384.415 3.295 20 0 GGADHM C[C@@H](OCCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736166106 598632002 /nfs/dbraw/zinc/63/20/02/598632002.db2.gz YPELCLHQDQJEAD-CYBMUJFWSA-N -1 3 384.415 3.295 20 0 GGADHM CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736830905 598632278 /nfs/dbraw/zinc/63/22/78/598632278.db2.gz DBJSSCLHVRWDPT-UHFFFAOYSA-N -1 3 383.412 3.279 20 0 GGADHM CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736830905 598632280 /nfs/dbraw/zinc/63/22/80/598632280.db2.gz DBJSSCLHVRWDPT-UHFFFAOYSA-N -1 3 383.412 3.279 20 0 GGADHM O=c1[nH]c2ccccc2n1C1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738370307 598632483 /nfs/dbraw/zinc/63/24/83/598632483.db2.gz BNRUDYFJNXSSIO-UHFFFAOYSA-N -1 3 395.854 3.417 20 0 GGADHM O=c1[nH]c2ccccc2n1C1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738370307 598632484 /nfs/dbraw/zinc/63/24/84/598632484.db2.gz BNRUDYFJNXSSIO-UHFFFAOYSA-N -1 3 395.854 3.417 20 0 GGADHM O=C(NCCCCOc1ccc(F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738054600 598633019 /nfs/dbraw/zinc/63/30/19/598633019.db2.gz PGWWZUOAWYCPCK-UHFFFAOYSA-N -1 3 388.378 3.126 20 0 GGADHM O=C(NCCCCOc1ccc(F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738054600 598633021 /nfs/dbraw/zinc/63/30/21/598633021.db2.gz PGWWZUOAWYCPCK-UHFFFAOYSA-N -1 3 388.378 3.126 20 0 GGADHM CC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736399116 598643104 /nfs/dbraw/zinc/64/31/04/598643104.db2.gz DQVGDVHIPARBKJ-INIZCTEOSA-N -1 3 378.436 3.459 20 0 GGADHM CC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736399116 598643106 /nfs/dbraw/zinc/64/31/06/598643106.db2.gz DQVGDVHIPARBKJ-INIZCTEOSA-N -1 3 378.436 3.459 20 0 GGADHM COc1ccccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737152873 598643911 /nfs/dbraw/zinc/64/39/11/598643911.db2.gz SVPRVXUMJLCWHK-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM COc1ccccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737152873 598643913 /nfs/dbraw/zinc/64/39/13/598643913.db2.gz SVPRVXUMJLCWHK-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM CC(=O)c1ccc(OCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)c(F)c1 ZINC000735499698 598645712 /nfs/dbraw/zinc/64/57/12/598645712.db2.gz SEMYNIUBNIZWBB-UHFFFAOYSA-N -1 3 392.394 3.282 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000737153889 598646074 /nfs/dbraw/zinc/64/60/74/598646074.db2.gz WOFPYFFPVZYFAG-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000737153889 598646076 /nfs/dbraw/zinc/64/60/76/598646076.db2.gz WOFPYFFPVZYFAG-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736273048 598646326 /nfs/dbraw/zinc/64/63/26/598646326.db2.gz QULPITOCCFZABA-DYVFJYSZSA-N -1 3 378.436 3.363 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736273048 598646328 /nfs/dbraw/zinc/64/63/28/598646328.db2.gz QULPITOCCFZABA-DYVFJYSZSA-N -1 3 378.436 3.363 20 0 GGADHM Cc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737337769 598646736 /nfs/dbraw/zinc/64/67/36/598646736.db2.gz QSVOSSWZTWPJCP-UHFFFAOYSA-N -1 3 379.464 3.383 20 0 GGADHM Cc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737337769 598646737 /nfs/dbraw/zinc/64/67/37/598646737.db2.gz QSVOSSWZTWPJCP-UHFFFAOYSA-N -1 3 379.464 3.383 20 0 GGADHM CC(=CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735449390 598647213 /nfs/dbraw/zinc/64/72/13/598647213.db2.gz PRMJFRQMQCLPKV-SDNWHVSQSA-N -1 3 397.479 3.459 20 0 GGADHM CC(=CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735449390 598647215 /nfs/dbraw/zinc/64/72/15/598647215.db2.gz PRMJFRQMQCLPKV-SDNWHVSQSA-N -1 3 397.479 3.459 20 0 GGADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736407201 598648611 /nfs/dbraw/zinc/64/86/11/598648611.db2.gz OSHYFCMPWSEMLI-RHSMWYFYSA-N -1 3 393.447 3.299 20 0 GGADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736407201 598648613 /nfs/dbraw/zinc/64/86/13/598648613.db2.gz OSHYFCMPWSEMLI-RHSMWYFYSA-N -1 3 393.447 3.299 20 0 GGADHM CN(C)c1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736781391 598649234 /nfs/dbraw/zinc/64/92/34/598649234.db2.gz ZFCDWYLQAKXABM-UHFFFAOYSA-N -1 3 388.884 3.317 20 0 GGADHM CN(C)c1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736781391 598649236 /nfs/dbraw/zinc/64/92/36/598649236.db2.gz ZFCDWYLQAKXABM-UHFFFAOYSA-N -1 3 388.884 3.317 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCSc2ccccc21 ZINC000737942677 598649822 /nfs/dbraw/zinc/64/98/22/598649822.db2.gz NQRIRQNMXVHNPG-UHFFFAOYSA-N -1 3 383.502 3.488 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCSc2ccccc21 ZINC000737942677 598649824 /nfs/dbraw/zinc/64/98/24/598649824.db2.gz NQRIRQNMXVHNPG-UHFFFAOYSA-N -1 3 383.502 3.488 20 0 GGADHM COc1ccc([C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737074482 598650060 /nfs/dbraw/zinc/65/00/60/598650060.db2.gz INJICBSAFSKZTF-LJQANCHMSA-N -1 3 395.488 3.235 20 0 GGADHM COc1ccc([C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737074482 598650061 /nfs/dbraw/zinc/65/00/61/598650061.db2.gz INJICBSAFSKZTF-LJQANCHMSA-N -1 3 395.488 3.235 20 0 GGADHM O=C(CC[C@H]1CCCCO1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737824886 598652231 /nfs/dbraw/zinc/65/22/31/598652231.db2.gz UQVAKJATQYLMQW-OAHLLOKOSA-N -1 3 381.436 3.342 20 0 GGADHM O=C(CC[C@H]1CCCCO1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737824886 598652232 /nfs/dbraw/zinc/65/22/32/598652232.db2.gz UQVAKJATQYLMQW-OAHLLOKOSA-N -1 3 381.436 3.342 20 0 GGADHM Cc1csc(N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000737452828 598653303 /nfs/dbraw/zinc/65/33/03/598653303.db2.gz NNZRAOMGAVMWAZ-UHFFFAOYSA-N -1 3 393.432 3.096 20 0 GGADHM Cc1csc(N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000737452828 598653305 /nfs/dbraw/zinc/65/33/05/598653305.db2.gz NNZRAOMGAVMWAZ-UHFFFAOYSA-N -1 3 393.432 3.096 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c(-c2nc3ccccc3[nH]2)c1 ZINC000737361646 598654895 /nfs/dbraw/zinc/65/48/95/598654895.db2.gz WXSXKZZJUPCFGB-UHFFFAOYSA-N -1 3 396.414 3.366 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c(-c2nc3ccccc3[nH]2)c1 ZINC000737361646 598654896 /nfs/dbraw/zinc/65/48/96/598654896.db2.gz WXSXKZZJUPCFGB-UHFFFAOYSA-N -1 3 396.414 3.366 20 0 GGADHM CC(C)(C)Oc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735639643 598656265 /nfs/dbraw/zinc/65/62/65/598656265.db2.gz KWYPHZFDDOAGMN-UHFFFAOYSA-N -1 3 397.504 3.453 20 0 GGADHM CC(C)(C)Oc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735639643 598656267 /nfs/dbraw/zinc/65/62/67/598656267.db2.gz KWYPHZFDDOAGMN-UHFFFAOYSA-N -1 3 397.504 3.453 20 0 GGADHM Cc1c(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)oc2ccc(F)cc12 ZINC000737212009 598657115 /nfs/dbraw/zinc/65/71/15/598657115.db2.gz ONRDTUUVNICNBA-UHFFFAOYSA-N -1 3 397.435 3.469 20 0 GGADHM Cc1c(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)oc2ccc(F)cc12 ZINC000737212009 598657117 /nfs/dbraw/zinc/65/71/17/598657117.db2.gz ONRDTUUVNICNBA-UHFFFAOYSA-N -1 3 397.435 3.469 20 0 GGADHM Cc1csc(-c2cccc(OC(=O)COc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000737447540 598659042 /nfs/dbraw/zinc/65/90/42/598659042.db2.gz FQMFSNHPJANLKE-UHFFFAOYSA-N -1 3 393.428 3.283 20 0 GGADHM Cc1csc(-c2cccc(OC(=O)COc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737447540 598659044 /nfs/dbraw/zinc/65/90/44/598659044.db2.gz FQMFSNHPJANLKE-UHFFFAOYSA-N -1 3 393.428 3.283 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCC2)nc1 ZINC000737941279 598659394 /nfs/dbraw/zinc/65/93/94/598659394.db2.gz KIIMUEIILBTMLP-UHFFFAOYSA-N -1 3 396.476 3.314 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCC2)nc1 ZINC000737941279 598659395 /nfs/dbraw/zinc/65/93/95/598659395.db2.gz KIIMUEIILBTMLP-UHFFFAOYSA-N -1 3 396.476 3.314 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1cscn1 ZINC000738173832 598661098 /nfs/dbraw/zinc/66/10/98/598661098.db2.gz SPHHBKZIGVZKAQ-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1cscn1 ZINC000738173832 598661100 /nfs/dbraw/zinc/66/11/00/598661100.db2.gz SPHHBKZIGVZKAQ-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM COCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)sc2cccc(F)c21 ZINC000737017036 598661335 /nfs/dbraw/zinc/66/13/35/598661335.db2.gz QLPPYVDPOAKSTP-UHFFFAOYSA-N -1 3 384.396 3.014 20 0 GGADHM COCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)sc2cccc(F)c21 ZINC000737017036 598661336 /nfs/dbraw/zinc/66/13/36/598661336.db2.gz QLPPYVDPOAKSTP-UHFFFAOYSA-N -1 3 384.396 3.014 20 0 GGADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)s2)c(C)c1 ZINC000737288160 598661492 /nfs/dbraw/zinc/66/14/92/598661492.db2.gz KYPDGBZWAIPWTD-UHFFFAOYSA-N -1 3 377.433 3.254 20 0 GGADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)s2)c(C)c1 ZINC000737288160 598661494 /nfs/dbraw/zinc/66/14/94/598661494.db2.gz KYPDGBZWAIPWTD-UHFFFAOYSA-N -1 3 377.433 3.254 20 0 GGADHM CN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736739534 598662269 /nfs/dbraw/zinc/66/22/69/598662269.db2.gz PNMIWSOKQKNEJR-INIZCTEOSA-N -1 3 375.354 3.171 20 0 GGADHM CN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736739534 598662271 /nfs/dbraw/zinc/66/22/71/598662271.db2.gz PNMIWSOKQKNEJR-INIZCTEOSA-N -1 3 375.354 3.171 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000738151582 598663058 /nfs/dbraw/zinc/66/30/58/598663058.db2.gz MMKXIINETKOEBU-UHFFFAOYSA-N -1 3 378.342 3.459 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000738151582 598663060 /nfs/dbraw/zinc/66/30/60/598663060.db2.gz MMKXIINETKOEBU-UHFFFAOYSA-N -1 3 378.342 3.459 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000738152354 598664224 /nfs/dbraw/zinc/66/42/24/598664224.db2.gz WMAGVHVYZDCSQL-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000738152354 598664225 /nfs/dbraw/zinc/66/42/25/598664225.db2.gz WMAGVHVYZDCSQL-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM Cn1cccc1[C@H]1CCCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737613445 598665160 /nfs/dbraw/zinc/66/51/60/598665160.db2.gz OWIXJCVNCAZHNN-GOSISDBHSA-N -1 3 396.520 3.441 20 0 GGADHM Cn1cccc1[C@H]1CCCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737613445 598665161 /nfs/dbraw/zinc/66/51/61/598665161.db2.gz OWIXJCVNCAZHNN-GOSISDBHSA-N -1 3 396.520 3.441 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000737942631 598665384 /nfs/dbraw/zinc/66/53/84/598665384.db2.gz LTVPXAFRBITJGQ-KRWDZBQOSA-N -1 3 383.452 3.462 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000737942631 598665386 /nfs/dbraw/zinc/66/53/86/598665386.db2.gz LTVPXAFRBITJGQ-KRWDZBQOSA-N -1 3 383.452 3.462 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCc2ccccc2C1 ZINC000737832209 598665500 /nfs/dbraw/zinc/66/55/00/598665500.db2.gz GEEXBEQBNVMVDE-UHFFFAOYSA-N -1 3 391.475 3.391 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCc2ccccc2C1 ZINC000737832209 598665502 /nfs/dbraw/zinc/66/55/02/598665502.db2.gz GEEXBEQBNVMVDE-UHFFFAOYSA-N -1 3 391.475 3.391 20 0 GGADHM O=C(Nn1cnc2ccccc21)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738206989 598665784 /nfs/dbraw/zinc/66/57/84/598665784.db2.gz IKCBGUDYERXPDP-UHFFFAOYSA-N -1 3 397.398 3.393 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000737943716 598666551 /nfs/dbraw/zinc/66/65/51/598666551.db2.gz WHQWDSZOOZLCCI-KRWDZBQOSA-N -1 3 397.479 3.332 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000737943716 598666553 /nfs/dbraw/zinc/66/65/53/598666553.db2.gz WHQWDSZOOZLCCI-KRWDZBQOSA-N -1 3 397.479 3.332 20 0 GGADHM Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737374876 598668449 /nfs/dbraw/zinc/66/84/49/598668449.db2.gz AAVVHZZPTQCULN-LJQANCHMSA-N -1 3 388.475 3.123 20 0 GGADHM Cc1ccc(COc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)cc1 ZINC000737342009 598668502 /nfs/dbraw/zinc/66/85/02/598668502.db2.gz DBWBREURWKDXSV-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1ccc(COc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)cc1 ZINC000737342009 598668504 /nfs/dbraw/zinc/66/85/04/598668504.db2.gz DBWBREURWKDXSV-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737149133 598668540 /nfs/dbraw/zinc/66/85/40/598668540.db2.gz WNBZMHVWMOWUJN-QGZVFWFLSA-N -1 3 395.488 3.331 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737149133 598668543 /nfs/dbraw/zinc/66/85/43/598668543.db2.gz WNBZMHVWMOWUJN-QGZVFWFLSA-N -1 3 395.488 3.331 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736184310 598669156 /nfs/dbraw/zinc/66/91/56/598669156.db2.gz YHDMXRGXIQTRQH-ZFWWWQNUSA-N -1 3 397.866 3.304 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736184310 598669157 /nfs/dbraw/zinc/66/91/57/598669157.db2.gz YHDMXRGXIQTRQH-ZFWWWQNUSA-N -1 3 397.866 3.304 20 0 GGADHM O=C(c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)N1CCC[C@@H]1C1CC1 ZINC000738269847 598669462 /nfs/dbraw/zinc/66/94/62/598669462.db2.gz YXJDDBSZDPAQSB-HXUWFJFHSA-N -1 3 389.459 3.460 20 0 GGADHM O=C(c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)N1CCC[C@@H]1C1CC1 ZINC000738269847 598669464 /nfs/dbraw/zinc/66/94/64/598669464.db2.gz YXJDDBSZDPAQSB-HXUWFJFHSA-N -1 3 389.459 3.460 20 0 GGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735464558 598673017 /nfs/dbraw/zinc/67/30/17/598673017.db2.gz BSBZYSHSYXQXDP-GOSISDBHSA-N -1 3 386.475 3.013 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@H]2c2cccc(C)c2)c(-c2nnn[n-]2)c1C ZINC000822299441 607364139 /nfs/dbraw/zinc/36/41/39/607364139.db2.gz JBFASHICGFERKE-INIZCTEOSA-N -1 3 380.452 3.161 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738313298 598678874 /nfs/dbraw/zinc/67/88/74/598678874.db2.gz GTVDHGBDOQEDKQ-UHFFFAOYSA-N -1 3 396.838 3.008 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738313298 598678876 /nfs/dbraw/zinc/67/88/76/598678876.db2.gz GTVDHGBDOQEDKQ-UHFFFAOYSA-N -1 3 396.838 3.008 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccncc1 ZINC000737831751 598683719 /nfs/dbraw/zinc/68/37/19/598683719.db2.gz DIFUTAKNHFMHCI-LJQANCHMSA-N -1 3 392.463 3.175 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccncc1 ZINC000737831751 598683720 /nfs/dbraw/zinc/68/37/20/598683720.db2.gz DIFUTAKNHFMHCI-LJQANCHMSA-N -1 3 392.463 3.175 20 0 GGADHM Fc1ccc(CN2CCc3c(Br)cccc3C2)c(-c2nnn[n-]2)c1 ZINC000737649431 598684750 /nfs/dbraw/zinc/68/47/50/598684750.db2.gz ODNVQUNAZAZNNK-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1ccc(CN2CCc3c(Br)cccc3C2)c(-c2nn[n-]n2)c1 ZINC000737649431 598684751 /nfs/dbraw/zinc/68/47/51/598684751.db2.gz ODNVQUNAZAZNNK-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000736368072 598689984 /nfs/dbraw/zinc/68/99/84/598689984.db2.gz GBKYCBQLXDRTBE-OAHLLOKOSA-N -1 3 395.847 3.089 20 0 GGADHM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737319721 598691982 /nfs/dbraw/zinc/69/19/82/598691982.db2.gz GEYOECNJHWWDTD-CYBMUJFWSA-N -1 3 389.456 3.004 20 0 GGADHM Cc1cc(C(=O)N(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)n[nH]1 ZINC000737234415 598692994 /nfs/dbraw/zinc/69/29/94/598692994.db2.gz KUCQQXFLYRQFRE-UHFFFAOYSA-N -1 3 391.410 3.193 20 0 GGADHM Cc1cc(C(=O)N(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)n[nH]1 ZINC000737234415 598692996 /nfs/dbraw/zinc/69/29/96/598692996.db2.gz KUCQQXFLYRQFRE-UHFFFAOYSA-N -1 3 391.410 3.193 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2ccco2)C1 ZINC000737833526 598694966 /nfs/dbraw/zinc/69/49/66/598694966.db2.gz VPJBQJIDRQFGQQ-INIZCTEOSA-N -1 3 381.436 3.025 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccco2)C1 ZINC000737833526 598694968 /nfs/dbraw/zinc/69/49/68/598694968.db2.gz VPJBQJIDRQFGQQ-INIZCTEOSA-N -1 3 381.436 3.025 20 0 GGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735496186 598695518 /nfs/dbraw/zinc/69/55/18/598695518.db2.gz XKHHFNRPOJKOSO-GFCCVEGCSA-N -1 3 399.451 3.469 20 0 GGADHM CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735496186 598695520 /nfs/dbraw/zinc/69/55/20/598695520.db2.gz XKHHFNRPOJKOSO-GFCCVEGCSA-N -1 3 399.451 3.469 20 0 GGADHM CC(C)(C)c1cc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)on1 ZINC000735647968 598695578 /nfs/dbraw/zinc/69/55/78/598695578.db2.gz IXZFAVJODRVYTB-UHFFFAOYSA-N -1 3 390.444 3.163 20 0 GGADHM CC(C)(C)c1cc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)on1 ZINC000735647968 598695580 /nfs/dbraw/zinc/69/55/80/598695580.db2.gz IXZFAVJODRVYTB-UHFFFAOYSA-N -1 3 390.444 3.163 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)NCc1cccs1 ZINC000736193355 598696166 /nfs/dbraw/zinc/69/61/66/598696166.db2.gz PVBNLVCZCVDMDE-SNVBAGLBSA-N -1 3 377.470 3.005 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)NCc1cccs1 ZINC000736193355 598696168 /nfs/dbraw/zinc/69/61/68/598696168.db2.gz PVBNLVCZCVDMDE-SNVBAGLBSA-N -1 3 377.470 3.005 20 0 GGADHM CCc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000736695837 598696362 /nfs/dbraw/zinc/69/63/62/598696362.db2.gz PWPWWXGVQPJLCT-ZHACJKMWSA-N -1 3 386.459 3.283 20 0 GGADHM CCc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000736695837 598696363 /nfs/dbraw/zinc/69/63/63/598696363.db2.gz PWPWWXGVQPJLCT-ZHACJKMWSA-N -1 3 386.459 3.283 20 0 GGADHM Cc1ccccc1CNC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737427212 598696490 /nfs/dbraw/zinc/69/64/90/598696490.db2.gz AVCHNNNFISYJDH-CYBMUJFWSA-N -1 3 385.468 3.252 20 0 GGADHM Cc1ccccc1CNC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737427212 598696491 /nfs/dbraw/zinc/69/64/91/598696491.db2.gz AVCHNNNFISYJDH-CYBMUJFWSA-N -1 3 385.468 3.252 20 0 GGADHM COC(=O)c1cccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736950240 598696661 /nfs/dbraw/zinc/69/66/61/598696661.db2.gz ZERUVURYHKVJLH-UHFFFAOYSA-N -1 3 388.424 3.105 20 0 GGADHM COC(=O)c1cccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736950240 598696662 /nfs/dbraw/zinc/69/66/62/598696662.db2.gz ZERUVURYHKVJLH-UHFFFAOYSA-N -1 3 388.424 3.105 20 0 GGADHM CC(C)CN(CC(C)C)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735827453 598697575 /nfs/dbraw/zinc/69/75/75/598697575.db2.gz NORMDIRSJSBPEV-UHFFFAOYSA-N -1 3 379.505 3.380 20 0 GGADHM CC(C)CN(CC(C)C)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735827453 598697576 /nfs/dbraw/zinc/69/75/76/598697576.db2.gz NORMDIRSJSBPEV-UHFFFAOYSA-N -1 3 379.505 3.380 20 0 GGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@@H](O)c1ccccc1 ZINC000736363600 598697958 /nfs/dbraw/zinc/69/79/58/598697958.db2.gz NWBNICLLJPENNT-RDJZCZTQSA-N -1 3 397.483 3.057 20 0 GGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@@H](O)c1ccccc1 ZINC000736363600 598697960 /nfs/dbraw/zinc/69/79/60/598697960.db2.gz NWBNICLLJPENNT-RDJZCZTQSA-N -1 3 397.483 3.057 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000737220735 598698690 /nfs/dbraw/zinc/69/86/90/598698690.db2.gz DWMURXOTBXBTEK-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000736821432 598699068 /nfs/dbraw/zinc/69/90/68/598699068.db2.gz UOPHMZVDCMXKES-UHFFFAOYSA-N -1 3 382.443 3.125 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000736821432 598699069 /nfs/dbraw/zinc/69/90/69/598699069.db2.gz UOPHMZVDCMXKES-UHFFFAOYSA-N -1 3 382.443 3.125 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2cccs2)[nH]n1 ZINC000737940397 598700683 /nfs/dbraw/zinc/70/06/83/598700683.db2.gz FSOKDAOOMSQRKE-UHFFFAOYSA-N -1 3 383.462 3.049 20 0 GGADHM O=C(Cc1ccc(Br)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737955725 598703702 /nfs/dbraw/zinc/70/37/02/598703702.db2.gz LTLNBSFGNARNQN-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1ccc(Br)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737955725 598703703 /nfs/dbraw/zinc/70/37/03/598703703.db2.gz LTLNBSFGNARNQN-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737546607 598704848 /nfs/dbraw/zinc/70/48/48/598704848.db2.gz FGJXVCNLRRRNPP-UHFFFAOYSA-N -1 3 393.378 3.255 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737546607 598704849 /nfs/dbraw/zinc/70/48/49/598704849.db2.gz FGJXVCNLRRRNPP-UHFFFAOYSA-N -1 3 393.378 3.255 20 0 GGADHM O=C(Cc1csc(-c2ccccc2)n1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737978256 598705674 /nfs/dbraw/zinc/70/56/74/598705674.db2.gz QTRWLPLORKYHDO-UHFFFAOYSA-N -1 3 395.419 3.415 20 0 GGADHM O=C(Cc1csc(-c2ccccc2)n1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737978256 598705675 /nfs/dbraw/zinc/70/56/75/598705675.db2.gz QTRWLPLORKYHDO-UHFFFAOYSA-N -1 3 395.419 3.415 20 0 GGADHM Cc1ccc2c(c1)N(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)CCC2 ZINC000737377784 598705928 /nfs/dbraw/zinc/70/59/28/598705928.db2.gz OPXZRXHLMALDIV-UHFFFAOYSA-N -1 3 382.855 3.220 20 0 GGADHM Cc1ccc2c(c1)N(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)CCC2 ZINC000737377784 598705930 /nfs/dbraw/zinc/70/59/30/598705930.db2.gz OPXZRXHLMALDIV-UHFFFAOYSA-N -1 3 382.855 3.220 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737560729 598706640 /nfs/dbraw/zinc/70/66/40/598706640.db2.gz HDZWWBDLVGUKQB-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737560729 598706642 /nfs/dbraw/zinc/70/66/42/598706642.db2.gz HDZWWBDLVGUKQB-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc(Br)c1 ZINC000738236360 598707143 /nfs/dbraw/zinc/70/71/43/598707143.db2.gz VYEUPBQDAUXIQI-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc(Br)c1 ZINC000738236360 598707145 /nfs/dbraw/zinc/70/71/45/598707145.db2.gz VYEUPBQDAUXIQI-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)c(F)c1 ZINC000738234898 598710404 /nfs/dbraw/zinc/71/04/04/598710404.db2.gz GUSUBCXWYDPKKL-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)c(F)c1 ZINC000738234898 598710406 /nfs/dbraw/zinc/71/04/06/598710406.db2.gz GUSUBCXWYDPKKL-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000735761840 598713210 /nfs/dbraw/zinc/71/32/10/598713210.db2.gz PYCAESQZGVZNHC-CQSZACIVSA-N -1 3 395.467 3.397 20 0 GGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000735761840 598713212 /nfs/dbraw/zinc/71/32/12/598713212.db2.gz PYCAESQZGVZNHC-CQSZACIVSA-N -1 3 395.467 3.397 20 0 GGADHM O=c1[nH]c2ccccc2cc1CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000738371201 598713667 /nfs/dbraw/zinc/71/36/67/598713667.db2.gz HEZXQJYWJBHDKM-UHFFFAOYSA-N -1 3 379.445 3.433 20 0 GGADHM O=c1[nH]c2ccccc2cc1CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000738371201 598713668 /nfs/dbraw/zinc/71/36/68/598713668.db2.gz HEZXQJYWJBHDKM-UHFFFAOYSA-N -1 3 379.445 3.433 20 0 GGADHM CC[C@@H](C)CN(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736322563 598713948 /nfs/dbraw/zinc/71/39/48/598713948.db2.gz LYUDPTFMGVZHBB-GFCCVEGCSA-N -1 3 385.497 3.424 20 0 GGADHM CC[C@@H](C)CN(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736322563 598713950 /nfs/dbraw/zinc/71/39/50/598713950.db2.gz LYUDPTFMGVZHBB-GFCCVEGCSA-N -1 3 385.497 3.424 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738100662 598716583 /nfs/dbraw/zinc/71/65/83/598716583.db2.gz CVKSTIAAVHDTTG-MRXNPFEDSA-N -1 3 382.855 3.219 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738100662 598716585 /nfs/dbraw/zinc/71/65/85/598716585.db2.gz CVKSTIAAVHDTTG-MRXNPFEDSA-N -1 3 382.855 3.219 20 0 GGADHM CCCCc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000736464410 598720184 /nfs/dbraw/zinc/72/01/84/598720184.db2.gz ZEKYYIZTKOJZDB-UHFFFAOYSA-N -1 3 383.456 3.120 20 0 GGADHM CCCCc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000736464410 598720185 /nfs/dbraw/zinc/72/01/85/598720185.db2.gz ZEKYYIZTKOJZDB-UHFFFAOYSA-N -1 3 383.456 3.120 20 0 GGADHM CC(C)c1ccccc1NC(=O)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735933525 598723888 /nfs/dbraw/zinc/72/38/88/598723888.db2.gz YDYXRSRFYYDUGQ-UHFFFAOYSA-N -1 3 387.447 3.492 20 0 GGADHM CC(C)c1ccccc1NC(=O)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735933525 598723890 /nfs/dbraw/zinc/72/38/90/598723890.db2.gz YDYXRSRFYYDUGQ-UHFFFAOYSA-N -1 3 387.447 3.492 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N[C@@H]1CCCC[C@@H]1O ZINC000738174378 598724889 /nfs/dbraw/zinc/72/48/89/598724889.db2.gz YNEUQKIXQVSBON-MSOLQXFVSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N[C@@H]1CCCC[C@@H]1O ZINC000738174378 598724890 /nfs/dbraw/zinc/72/48/90/598724890.db2.gz YNEUQKIXQVSBON-MSOLQXFVSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738102105 598726037 /nfs/dbraw/zinc/72/60/37/598726037.db2.gz PTKSZPDURBBNKI-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738102105 598726038 /nfs/dbraw/zinc/72/60/38/598726038.db2.gz PTKSZPDURBBNKI-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000736637569 598729585 /nfs/dbraw/zinc/72/95/85/598729585.db2.gz SWTIVUPTHWUXQB-HNNXBMFYSA-N -1 3 378.436 3.117 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000736637569 598729586 /nfs/dbraw/zinc/72/95/86/598729586.db2.gz SWTIVUPTHWUXQB-HNNXBMFYSA-N -1 3 378.436 3.117 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cs1 ZINC000736698058 598732501 /nfs/dbraw/zinc/73/25/01/598732501.db2.gz HPQRVHDNMWNUDK-GFCCVEGCSA-N -1 3 397.508 3.321 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC000736698058 598732502 /nfs/dbraw/zinc/73/25/02/598732502.db2.gz HPQRVHDNMWNUDK-GFCCVEGCSA-N -1 3 397.508 3.321 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736252660 598734652 /nfs/dbraw/zinc/73/46/52/598734652.db2.gz QYQXSFDYDJYNOV-ZIAGYGMSSA-N -1 3 381.436 3.442 20 0 GGADHM O=C(CCc1ccc2ccccc2c1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737857114 598738830 /nfs/dbraw/zinc/73/88/30/598738830.db2.gz MNNZWIUYJUVDMX-UHFFFAOYSA-N -1 3 388.431 3.003 20 0 GGADHM O=C(CCc1ccc2ccccc2c1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737857114 598738831 /nfs/dbraw/zinc/73/88/31/598738831.db2.gz MNNZWIUYJUVDMX-UHFFFAOYSA-N -1 3 388.431 3.003 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737356025 598743351 /nfs/dbraw/zinc/74/33/51/598743351.db2.gz NZZBKQJCPJDKSX-UHFFFAOYSA-N -1 3 392.463 3.341 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737356025 598743352 /nfs/dbraw/zinc/74/33/52/598743352.db2.gz NZZBKQJCPJDKSX-UHFFFAOYSA-N -1 3 392.463 3.341 20 0 GGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000737239248 598744839 /nfs/dbraw/zinc/74/48/39/598744839.db2.gz BWGNPOMYJMPLRB-UHFFFAOYSA-N -1 3 388.479 3.417 20 0 GGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000737239248 598744841 /nfs/dbraw/zinc/74/48/41/598744841.db2.gz BWGNPOMYJMPLRB-UHFFFAOYSA-N -1 3 388.479 3.417 20 0 GGADHM Cc1ccccc1CCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737426136 598745834 /nfs/dbraw/zinc/74/58/34/598745834.db2.gz KBKPDNRFJIBZPD-UHFFFAOYSA-N -1 3 391.475 3.178 20 0 GGADHM CCS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000736663718 598750289 /nfs/dbraw/zinc/75/02/89/598750289.db2.gz GLNBHRWAJNKNKQ-CYBMUJFWSA-N -1 3 376.486 3.015 20 0 GGADHM CCS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000736663718 598750291 /nfs/dbraw/zinc/75/02/91/598750291.db2.gz GLNBHRWAJNKNKQ-CYBMUJFWSA-N -1 3 376.486 3.015 20 0 GGADHM Cc1c(C(=O)Nc2sccc2-c2nnn[n-]2)cnn1-c1ccccc1Cl ZINC000737209367 598751855 /nfs/dbraw/zinc/75/18/55/598751855.db2.gz NWDXQPPVEADUGG-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1c(C(=O)Nc2sccc2-c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000737209367 598751857 /nfs/dbraw/zinc/75/18/57/598751857.db2.gz NWDXQPPVEADUGG-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1ccccc1-n1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000737414956 598752103 /nfs/dbraw/zinc/75/21/03/598752103.db2.gz IVVKLAIGODINDB-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1ccccc1-n1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000737414956 598752104 /nfs/dbraw/zinc/75/21/04/598752104.db2.gz IVVKLAIGODINDB-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CC(C)(C)CN(Cc1ccccc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735619046 598754134 /nfs/dbraw/zinc/75/41/34/598754134.db2.gz RJGQMAYNAKAMOJ-UHFFFAOYSA-N -1 3 378.480 3.354 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1cccc(Oc2ccncc2)c1 ZINC000737932175 598754295 /nfs/dbraw/zinc/75/42/95/598754295.db2.gz UAXZKOWYDKIUEP-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1cccc(Oc2ccncc2)c1 ZINC000737932175 598754296 /nfs/dbraw/zinc/75/42/96/598754296.db2.gz UAXZKOWYDKIUEP-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736939417 598754858 /nfs/dbraw/zinc/75/48/58/598754858.db2.gz HAYPCKIDQYRPCB-UHFFFAOYSA-N -1 3 385.449 3.265 20 0 GGADHM COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736939417 598754859 /nfs/dbraw/zinc/75/48/59/598754859.db2.gz HAYPCKIDQYRPCB-UHFFFAOYSA-N -1 3 385.449 3.265 20 0 GGADHM CCN(CC(=O)Nc1ccccc1C(C)=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736512380 598758513 /nfs/dbraw/zinc/75/85/13/598758513.db2.gz YHLMLORAWMZHMQ-CQSZACIVSA-N -1 3 392.463 3.091 20 0 GGADHM O=C(NCCc1ccc(F)cc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738088024 598761316 /nfs/dbraw/zinc/76/13/16/598761316.db2.gz MMHHTOGUJMOQEA-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM O=C(NCCc1ccc(F)cc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738088024 598761318 /nfs/dbraw/zinc/76/13/18/598761318.db2.gz MMHHTOGUJMOQEA-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000738152721 598769936 /nfs/dbraw/zinc/76/99/36/598769936.db2.gz ZIVNBBACTGVXLW-INIZCTEOSA-N -1 3 384.827 3.126 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000738152721 598769938 /nfs/dbraw/zinc/76/99/38/598769938.db2.gz ZIVNBBACTGVXLW-INIZCTEOSA-N -1 3 384.827 3.126 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCc3ccc4c(c3)OCCO4)c2c1 ZINC000737650236 598771220 /nfs/dbraw/zinc/77/12/20/598771220.db2.gz GUFMTYNGCYTILM-UHFFFAOYSA-N -1 3 396.357 3.076 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCc3ccc4c(c3)OCCO4)c2c1 ZINC000737650236 598771221 /nfs/dbraw/zinc/77/12/21/598771221.db2.gz GUFMTYNGCYTILM-UHFFFAOYSA-N -1 3 396.357 3.076 20 0 GGADHM Cc1ccc2oc(N3CCN(c4ccc(-c5nnn[n-]5)c(Cl)c4)CC3)nc2c1 ZINC000737379338 598773197 /nfs/dbraw/zinc/77/31/97/598773197.db2.gz HUFANODZOQEIID-UHFFFAOYSA-N -1 3 395.854 3.296 20 0 GGADHM Cc1ccc2oc(N3CCN(c4ccc(-c5nn[n-]n5)c(Cl)c4)CC3)nc2c1 ZINC000737379338 598773200 /nfs/dbraw/zinc/77/32/00/598773200.db2.gz HUFANODZOQEIID-UHFFFAOYSA-N -1 3 395.854 3.296 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000737643256 598773437 /nfs/dbraw/zinc/77/34/37/598773437.db2.gz DSADZEKASLOUDG-CYBMUJFWSA-N -1 3 393.401 3.384 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000737643256 598773439 /nfs/dbraw/zinc/77/34/39/598773439.db2.gz DSADZEKASLOUDG-CYBMUJFWSA-N -1 3 393.401 3.384 20 0 GGADHM Cc1ccccc1[C@H](O)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737420113 598773621 /nfs/dbraw/zinc/77/36/21/598773621.db2.gz IJDCVQQZUUSFGO-GOSISDBHSA-N -1 3 399.458 3.430 20 0 GGADHM Cc1ccccc1[C@H](O)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737420113 598773622 /nfs/dbraw/zinc/77/36/22/598773622.db2.gz IJDCVQQZUUSFGO-GOSISDBHSA-N -1 3 399.458 3.430 20 0 GGADHM CC[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736332377 598780409 /nfs/dbraw/zinc/78/04/09/598780409.db2.gz MPGOXUDQLMNSPG-CABCVRRESA-N -1 3 393.447 3.321 20 0 GGADHM CC[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736332377 598780410 /nfs/dbraw/zinc/78/04/10/598780410.db2.gz MPGOXUDQLMNSPG-CABCVRRESA-N -1 3 393.447 3.321 20 0 GGADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736210731 598781077 /nfs/dbraw/zinc/78/10/77/598781077.db2.gz HHCSWQHQGFBVBX-ZDUSSCGKSA-N -1 3 379.424 3.222 20 0 GGADHM CC[C@H](Cc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736350657 598781246 /nfs/dbraw/zinc/78/12/46/598781246.db2.gz MQLZNBVSRBNCCZ-GDBMZVCRSA-N -1 3 393.447 3.006 20 0 GGADHM CC[C@H](Cc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736350657 598781248 /nfs/dbraw/zinc/78/12/48/598781248.db2.gz MQLZNBVSRBNCCZ-GDBMZVCRSA-N -1 3 393.447 3.006 20 0 GGADHM CSc1ccc(C(=O)OCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)o1 ZINC000737193435 598781615 /nfs/dbraw/zinc/78/16/15/598781615.db2.gz RXINTLNJSLDGMU-UHFFFAOYSA-N -1 3 396.432 3.033 20 0 GGADHM C[C@H](COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(F)(F)F ZINC000824440523 607366894 /nfs/dbraw/zinc/36/68/94/607366894.db2.gz DTLPHUADAYSRDB-SNVBAGLBSA-N -1 3 396.325 3.394 20 0 GGADHM C[C@H](COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C(F)(F)F ZINC000824440523 607366896 /nfs/dbraw/zinc/36/68/96/607366896.db2.gz DTLPHUADAYSRDB-SNVBAGLBSA-N -1 3 396.325 3.394 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000737291718 598782568 /nfs/dbraw/zinc/78/25/68/598782568.db2.gz NTTIPDVAQCDGDV-KRWDZBQOSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000737291718 598782569 /nfs/dbraw/zinc/78/25/69/598782569.db2.gz NTTIPDVAQCDGDV-KRWDZBQOSA-N -1 3 398.854 3.434 20 0 GGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(O)c1 ZINC000736109906 598783538 /nfs/dbraw/zinc/78/35/38/598783538.db2.gz BZEYDHMQBNWKQF-CYBMUJFWSA-N -1 3 378.436 3.008 20 0 GGADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(O)c1 ZINC000736109906 598783540 /nfs/dbraw/zinc/78/35/40/598783540.db2.gz BZEYDHMQBNWKQF-CYBMUJFWSA-N -1 3 378.436 3.008 20 0 GGADHM COc1cccc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)n1 ZINC000737133256 598789283 /nfs/dbraw/zinc/78/92/83/598789283.db2.gz ZEFSPNUTCCEWLK-UHFFFAOYSA-N -1 3 382.371 3.285 20 0 GGADHM C[C@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000736260481 598789711 /nfs/dbraw/zinc/78/97/11/598789711.db2.gz HUCOFBSZVMGFQR-RYUDHWBXSA-N -1 3 375.498 3.341 20 0 GGADHM C[C@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000736260481 598789713 /nfs/dbraw/zinc/78/97/13/598789713.db2.gz HUCOFBSZVMGFQR-RYUDHWBXSA-N -1 3 375.498 3.341 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736182392 598790822 /nfs/dbraw/zinc/79/08/22/598790822.db2.gz NVTAWSAOJUQECP-BEFAXECRSA-N -1 3 379.464 3.490 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736182392 598790824 /nfs/dbraw/zinc/79/08/24/598790824.db2.gz NVTAWSAOJUQECP-BEFAXECRSA-N -1 3 379.464 3.490 20 0 GGADHM COc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000737047937 598792024 /nfs/dbraw/zinc/79/20/24/598792024.db2.gz UWRRLJNCLAEFCU-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000737047937 598792025 /nfs/dbraw/zinc/79/20/25/598792025.db2.gz UWRRLJNCLAEFCU-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4C3)c2-c2nnn[n-]2)C1 ZINC000736280922 598792712 /nfs/dbraw/zinc/79/27/12/598792712.db2.gz RHJSDFFTIRMNTO-YPMHNXCESA-N -1 3 395.488 3.243 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4C3)c2-c2nn[n-]n2)C1 ZINC000736280922 598792713 /nfs/dbraw/zinc/79/27/13/598792713.db2.gz RHJSDFFTIRMNTO-YPMHNXCESA-N -1 3 395.488 3.243 20 0 GGADHM O=C1CCCN1Cc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738301959 598793401 /nfs/dbraw/zinc/79/34/01/598793401.db2.gz HEQZDVIEXMAQJQ-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM O=C1CCCN1Cc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738301959 598793403 /nfs/dbraw/zinc/79/34/03/598793403.db2.gz HEQZDVIEXMAQJQ-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000736167766 598793927 /nfs/dbraw/zinc/79/39/27/598793927.db2.gz GIJGKXYYMIEXAV-KZULUSFZSA-N -1 3 399.401 3.276 20 0 GGADHM COc1cccc(N2CC[C@H](CNc3ccc(Cl)cc3-c3nnn[n-]3)C2)c1 ZINC000737138453 598796142 /nfs/dbraw/zinc/79/61/42/598796142.db2.gz IIJDSSRBWSRJTH-CYBMUJFWSA-N -1 3 384.871 3.467 20 0 GGADHM COc1cccc(N2CC[C@H](CNc3ccc(Cl)cc3-c3nn[n-]n3)C2)c1 ZINC000737138453 598796144 /nfs/dbraw/zinc/79/61/44/598796144.db2.gz IIJDSSRBWSRJTH-CYBMUJFWSA-N -1 3 384.871 3.467 20 0 GGADHM CN(C[C@H]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1)C(=O)OC(C)(C)C ZINC000736789948 598797572 /nfs/dbraw/zinc/79/75/72/598797572.db2.gz DKUJJWXGSAPYKK-GFCCVEGCSA-N -1 3 392.891 3.213 20 0 GGADHM CN(C[C@H]1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1)C(=O)OC(C)(C)C ZINC000736789948 598797573 /nfs/dbraw/zinc/79/75/73/598797573.db2.gz DKUJJWXGSAPYKK-GFCCVEGCSA-N -1 3 392.891 3.213 20 0 GGADHM COc1cccc(C[C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737131641 598800081 /nfs/dbraw/zinc/80/00/81/598800081.db2.gz XFIJUUFOIUPBFB-NSHDSACASA-N -1 3 386.843 3.281 20 0 GGADHM COc1cccc(C[C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737131641 598800082 /nfs/dbraw/zinc/80/00/82/598800082.db2.gz XFIJUUFOIUPBFB-NSHDSACASA-N -1 3 386.843 3.281 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736174290 598802492 /nfs/dbraw/zinc/80/24/92/598802492.db2.gz MQUIEMKVWGLNFT-NSHDSACASA-N -1 3 389.818 3.085 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736174290 598802493 /nfs/dbraw/zinc/80/24/93/598802493.db2.gz MQUIEMKVWGLNFT-NSHDSACASA-N -1 3 389.818 3.085 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736179080 598802649 /nfs/dbraw/zinc/80/26/49/598802649.db2.gz YYCLCVSDMWXDJG-NSHDSACASA-N -1 3 389.818 3.085 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736179080 598802650 /nfs/dbraw/zinc/80/26/50/598802650.db2.gz YYCLCVSDMWXDJG-NSHDSACASA-N -1 3 389.818 3.085 20 0 GGADHM C[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735976310 598806004 /nfs/dbraw/zinc/80/60/04/598806004.db2.gz KZHACLSOSZUJRR-ZDUSSCGKSA-N -1 3 391.410 3.324 20 0 GGADHM CSc1ccccc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737190303 598806397 /nfs/dbraw/zinc/80/63/97/598806397.db2.gz FQNJUEGWCJGFSE-UHFFFAOYSA-N -1 3 377.433 3.027 20 0 GGADHM CSCc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737181758 598806461 /nfs/dbraw/zinc/80/64/61/598806461.db2.gz LHLSBPHIIMTMKE-UHFFFAOYSA-N -1 3 391.460 3.168 20 0 GGADHM Cn1nccc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737626951 598807927 /nfs/dbraw/zinc/80/79/27/598807927.db2.gz GSPJRROYJGEVNA-UHFFFAOYSA-N -1 3 393.838 3.101 20 0 GGADHM Cn1nccc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737626951 598807929 /nfs/dbraw/zinc/80/79/29/598807929.db2.gz GSPJRROYJGEVNA-UHFFFAOYSA-N -1 3 393.838 3.101 20 0 GGADHM Cc1ccc(SCC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737369956 598808839 /nfs/dbraw/zinc/80/88/39/598808839.db2.gz ZIJPHWCHABPFFH-UHFFFAOYSA-N -1 3 391.460 3.092 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCCC2 ZINC000738195090 598809220 /nfs/dbraw/zinc/80/92/20/598809220.db2.gz MDEVIXVHINJKHD-UHFFFAOYSA-N -1 3 391.460 3.245 20 0 GGADHM OCCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000738394088 598810445 /nfs/dbraw/zinc/81/04/45/598810445.db2.gz ORXIXLLUCWHUAF-UHFFFAOYSA-N -1 3 391.397 3.280 20 0 GGADHM OCCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000738394088 598810447 /nfs/dbraw/zinc/81/04/47/598810447.db2.gz ORXIXLLUCWHUAF-UHFFFAOYSA-N -1 3 391.397 3.280 20 0 GGADHM CCc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc(-c2ccccn2)n1 ZINC000736676673 598815568 /nfs/dbraw/zinc/81/55/68/598815568.db2.gz RVACAHRUNSQUES-UHFFFAOYSA-N -1 3 398.474 3.450 20 0 GGADHM CCc1cc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc(-c2ccccn2)n1 ZINC000736676673 598815569 /nfs/dbraw/zinc/81/55/69/598815569.db2.gz RVACAHRUNSQUES-UHFFFAOYSA-N -1 3 398.474 3.450 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1nc(Cc2ccccc2)no1 ZINC000821751770 607367463 /nfs/dbraw/zinc/36/74/63/607367463.db2.gz BUFIFOMYRUULSG-UHFFFAOYSA-N -1 3 394.460 3.283 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc(Cc2ccccc2)no1 ZINC000821751770 607367465 /nfs/dbraw/zinc/36/74/65/607367465.db2.gz BUFIFOMYRUULSG-UHFFFAOYSA-N -1 3 394.460 3.283 20 0 GGADHM CC(=O)c1c[nH]c(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000735496851 598821175 /nfs/dbraw/zinc/82/11/75/598821175.db2.gz JUPISTZPSZKCAV-UHFFFAOYSA-N -1 3 388.387 3.442 20 0 GGADHM Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737455164 598821616 /nfs/dbraw/zinc/82/16/16/598821616.db2.gz MUXFENWPFNXCLF-INIZCTEOSA-N -1 3 382.493 3.318 20 0 GGADHM Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737455164 598821617 /nfs/dbraw/zinc/82/16/17/598821617.db2.gz MUXFENWPFNXCLF-INIZCTEOSA-N -1 3 382.493 3.318 20 0 GGADHM Cc1cc(C)n(CC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737258046 598821850 /nfs/dbraw/zinc/82/18/50/598821850.db2.gz XUGBWPKAXINJOG-UHFFFAOYSA-N -1 3 389.419 3.111 20 0 GGADHM Cc1cc(C)n(CC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737258046 598821851 /nfs/dbraw/zinc/82/18/51/598821851.db2.gz XUGBWPKAXINJOG-UHFFFAOYSA-N -1 3 389.419 3.111 20 0 GGADHM Fc1ccc(CCNC(=S)Nc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737649575 598821994 /nfs/dbraw/zinc/82/19/94/598821994.db2.gz NCCWJTZWMRQAPC-UHFFFAOYSA-N -1 3 376.848 3.188 20 0 GGADHM Fc1ccc(CCNC(=S)Nc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737649575 598821996 /nfs/dbraw/zinc/82/19/96/598821996.db2.gz NCCWJTZWMRQAPC-UHFFFAOYSA-N -1 3 376.848 3.188 20 0 GGADHM CCOc1cc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)ccc1C ZINC000736628339 598822129 /nfs/dbraw/zinc/82/21/29/598822129.db2.gz WNZQMJPFPSHICM-UHFFFAOYSA-N -1 3 397.504 3.237 20 0 GGADHM CCOc1cc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)ccc1C ZINC000736628339 598822130 /nfs/dbraw/zinc/82/21/30/598822130.db2.gz WNZQMJPFPSHICM-UHFFFAOYSA-N -1 3 397.504 3.237 20 0 GGADHM Cc1ccc(N(C)C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737346530 598822667 /nfs/dbraw/zinc/82/26/67/598822667.db2.gz HIOZGIKXUANRAO-SFHVURJKSA-N -1 3 396.882 3.460 20 0 GGADHM O=C(NCCc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823223734 599292606 /nfs/dbraw/zinc/29/26/06/599292606.db2.gz GNDBRTCUOZCMQP-UHFFFAOYSA-N -1 3 394.332 3.389 20 0 GGADHM O=C(NCCc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823223734 599292608 /nfs/dbraw/zinc/29/26/08/599292608.db2.gz GNDBRTCUOZCMQP-UHFFFAOYSA-N -1 3 394.332 3.389 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737973884 599292927 /nfs/dbraw/zinc/29/29/27/599292927.db2.gz IWUXJDNTPPFBNW-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737973884 599292928 /nfs/dbraw/zinc/29/29/28/599292928.db2.gz IWUXJDNTPPFBNW-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM O=C([C@H]1CSc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737793050 599292989 /nfs/dbraw/zinc/29/29/89/599292989.db2.gz UHDJXRCGHQYQJS-KRWDZBQOSA-N -1 3 377.473 3.247 20 0 GGADHM O=C([C@H]1CSc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737793050 599292991 /nfs/dbraw/zinc/29/29/91/599292991.db2.gz UHDJXRCGHQYQJS-KRWDZBQOSA-N -1 3 377.473 3.247 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737975149 599293035 /nfs/dbraw/zinc/29/30/35/599293035.db2.gz UNGNAWOTOUVLOV-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737975149 599293037 /nfs/dbraw/zinc/29/30/37/599293037.db2.gz UNGNAWOTOUVLOV-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nccs1 ZINC000819988029 599293426 /nfs/dbraw/zinc/29/34/26/599293426.db2.gz QSEMFEKGGRALAC-UHFFFAOYSA-N -1 3 397.386 3.399 20 0 GGADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccs1 ZINC000819988029 599293428 /nfs/dbraw/zinc/29/34/28/599293428.db2.gz QSEMFEKGGRALAC-UHFFFAOYSA-N -1 3 397.386 3.399 20 0 GGADHM CC(C)c1nc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)no1 ZINC000735941076 599293519 /nfs/dbraw/zinc/29/35/19/599293519.db2.gz WLLBUMXPWFBQNH-CYBMUJFWSA-N -1 3 390.451 3.305 20 0 GGADHM CC(C)c1nc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)no1 ZINC000735941076 599293520 /nfs/dbraw/zinc/29/35/20/599293520.db2.gz WLLBUMXPWFBQNH-CYBMUJFWSA-N -1 3 390.451 3.305 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)no1 ZINC000735938943 599293665 /nfs/dbraw/zinc/29/36/65/599293665.db2.gz DNUFIFCKSUPFBG-ZDUSSCGKSA-N -1 3 390.451 3.305 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)no1 ZINC000735938943 599293668 /nfs/dbraw/zinc/29/36/68/599293668.db2.gz DNUFIFCKSUPFBG-ZDUSSCGKSA-N -1 3 390.451 3.305 20 0 GGADHM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822519613 599295600 /nfs/dbraw/zinc/29/56/00/599295600.db2.gz JRCIIDUNMLIENH-SSDOTTSWSA-N -1 3 395.345 3.373 20 0 GGADHM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822519613 599295601 /nfs/dbraw/zinc/29/56/01/599295601.db2.gz JRCIIDUNMLIENH-SSDOTTSWSA-N -1 3 395.345 3.373 20 0 GGADHM Cc1nccc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)n1 ZINC000737503385 599299904 /nfs/dbraw/zinc/29/99/04/599299904.db2.gz VDYLDCPNZRBQGR-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1nccc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)n1 ZINC000737503385 599299906 /nfs/dbraw/zinc/29/99/06/599299906.db2.gz VDYLDCPNZRBQGR-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM CC(C)Oc1c(Cl)cccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735904845 599305282 /nfs/dbraw/zinc/30/52/82/599305282.db2.gz UAZQHAKJEGHATN-UHFFFAOYSA-N -1 3 386.843 3.358 20 0 GGADHM CC(C)Oc1c(Cl)cccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735904845 599305284 /nfs/dbraw/zinc/30/52/84/599305284.db2.gz UAZQHAKJEGHATN-UHFFFAOYSA-N -1 3 386.843 3.358 20 0 GGADHM CCCCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000736464006 599307553 /nfs/dbraw/zinc/30/75/53/599307553.db2.gz VLANTRMTIVLEFP-UHFFFAOYSA-N -1 3 381.436 3.331 20 0 GGADHM CCCCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000736464006 599307555 /nfs/dbraw/zinc/30/75/55/599307555.db2.gz VLANTRMTIVLEFP-UHFFFAOYSA-N -1 3 381.436 3.331 20 0 GGADHM CN(C(=O)c1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000736743130 599308170 /nfs/dbraw/zinc/30/81/70/599308170.db2.gz ZPWINYJCUNYAKE-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM CN(C(=O)c1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000736743130 599308173 /nfs/dbraw/zinc/30/81/73/599308173.db2.gz ZPWINYJCUNYAKE-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000736197251 599308992 /nfs/dbraw/zinc/30/89/92/599308992.db2.gz MGCLBZJYFKTJCU-MRXNPFEDSA-N -1 3 382.512 3.042 20 0 GGADHM CCN(C(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505834 599311493 /nfs/dbraw/zinc/31/14/93/599311493.db2.gz SMSVWANAQFFTPP-UHFFFAOYSA-N -1 3 391.353 3.317 20 0 GGADHM CCN(C(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505834 599311495 /nfs/dbraw/zinc/31/14/95/599311495.db2.gz SMSVWANAQFFTPP-UHFFFAOYSA-N -1 3 391.353 3.317 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119319 599312685 /nfs/dbraw/zinc/31/26/85/599312685.db2.gz XMWMGNJCKFQZRZ-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119319 599312688 /nfs/dbraw/zinc/31/26/88/599312688.db2.gz XMWMGNJCKFQZRZ-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM CS[C@@H]1CCCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821956389 607368332 /nfs/dbraw/zinc/36/83/32/607368332.db2.gz NQEUZLWXPRPYMU-LLVKDONJSA-N -1 3 382.946 3.434 20 0 GGADHM CS[C@@H]1CCCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821956389 607368334 /nfs/dbraw/zinc/36/83/34/607368334.db2.gz NQEUZLWXPRPYMU-LLVKDONJSA-N -1 3 382.946 3.434 20 0 GGADHM CCCCc1nc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)no1 ZINC000736465651 599324694 /nfs/dbraw/zinc/32/46/94/599324694.db2.gz HQRVQZXBXSWVCA-UHFFFAOYSA-N -1 3 392.423 3.392 20 0 GGADHM C[C@@H](NS(=O)(=O)C=Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820438791 599324767 /nfs/dbraw/zinc/32/47/67/599324767.db2.gz WSWRWYGLZAJSNR-ZWLSGLHFSA-N -1 3 389.868 3.171 20 0 GGADHM C[C@@H](NS(=O)(=O)C=Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820438791 599324770 /nfs/dbraw/zinc/32/47/70/599324770.db2.gz WSWRWYGLZAJSNR-ZWLSGLHFSA-N -1 3 389.868 3.171 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000821736246 607369386 /nfs/dbraw/zinc/36/93/86/607369386.db2.gz HZNLFIWYFSRVRR-GOSISDBHSA-N -1 3 381.436 3.045 20 0 GGADHM Cc1ccccc1CCNC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737427083 599329558 /nfs/dbraw/zinc/32/95/58/599329558.db2.gz PVVMBEWMDUUARZ-OAHLLOKOSA-N -1 3 381.505 3.328 20 0 GGADHM Cc1ccccc1CCNC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427083 599329561 /nfs/dbraw/zinc/32/95/61/599329561.db2.gz PVVMBEWMDUUARZ-OAHLLOKOSA-N -1 3 381.505 3.328 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000821736246 607369387 /nfs/dbraw/zinc/36/93/87/607369387.db2.gz HZNLFIWYFSRVRR-GOSISDBHSA-N -1 3 381.436 3.045 20 0 GGADHM Cc1cccc(OCCNC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737412463 599332282 /nfs/dbraw/zinc/33/22/82/599332282.db2.gz ZXSRRIUHMFLZGR-HNNXBMFYSA-N -1 3 397.504 3.165 20 0 GGADHM Cc1cccc(OCCNC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737412463 599332285 /nfs/dbraw/zinc/33/22/85/599332285.db2.gz ZXSRRIUHMFLZGR-HNNXBMFYSA-N -1 3 397.504 3.165 20 0 GGADHM CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736478684 599333629 /nfs/dbraw/zinc/33/36/29/599333629.db2.gz CKQUKZWFUAHMPP-UHFFFAOYSA-N -1 3 391.884 3.121 20 0 GGADHM FC(F)(F)c1cc(NCc2nc(-c3ccoc3)no2)ccc1-c1nnn[n-]1 ZINC000737633450 599333977 /nfs/dbraw/zinc/33/39/77/599333977.db2.gz RWBDLLBBJHEZMB-UHFFFAOYSA-N -1 3 377.286 3.141 20 0 GGADHM FC(F)(F)c1cc(NCc2nc(-c3ccoc3)no2)ccc1-c1nn[n-]n1 ZINC000737633450 599333979 /nfs/dbraw/zinc/33/39/79/599333979.db2.gz RWBDLLBBJHEZMB-UHFFFAOYSA-N -1 3 377.286 3.141 20 0 GGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC1CCC1 ZINC000738221314 599336694 /nfs/dbraw/zinc/33/66/94/599336694.db2.gz GVAYNNODQIQOCA-UHFFFAOYSA-N -1 3 380.404 3.034 20 0 GGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC1CCC1 ZINC000738221314 599336698 /nfs/dbraw/zinc/33/66/98/599336698.db2.gz GVAYNNODQIQOCA-UHFFFAOYSA-N -1 3 380.404 3.034 20 0 GGADHM C[C@H](COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(F)(F)F ZINC000824441800 607369912 /nfs/dbraw/zinc/36/99/12/607369912.db2.gz SITWVRUPZIWZLV-SNVBAGLBSA-N -1 3 396.325 3.394 20 0 GGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824207198 607369927 /nfs/dbraw/zinc/36/99/27/607369927.db2.gz RLXZGVALHAEAAY-GOSISDBHSA-N -1 3 396.472 3.410 20 0 GGADHM CC(C)[C@@H](Sc1ccccc1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824207198 607369929 /nfs/dbraw/zinc/36/99/29/607369929.db2.gz RLXZGVALHAEAAY-GOSISDBHSA-N -1 3 396.472 3.410 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1sccc1C ZINC000821161050 599337906 /nfs/dbraw/zinc/33/79/06/599337906.db2.gz TZMXEFODYJTMPG-GFCCVEGCSA-N -1 3 377.495 3.008 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1sccc1C ZINC000821161050 599337908 /nfs/dbraw/zinc/33/79/08/599337908.db2.gz TZMXEFODYJTMPG-GFCCVEGCSA-N -1 3 377.495 3.008 20 0 GGADHM O=C(CSC1=Nc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737933493 599340891 /nfs/dbraw/zinc/34/08/91/599340891.db2.gz WWKAIHAOUOXQAW-UHFFFAOYSA-N -1 3 384.852 3.478 20 0 GGADHM O=C(CSC1=Nc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737933493 599340893 /nfs/dbraw/zinc/34/08/93/599340893.db2.gz WWKAIHAOUOXQAW-UHFFFAOYSA-N -1 3 384.852 3.478 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000737032149 599342037 /nfs/dbraw/zinc/34/20/37/599342037.db2.gz DUCQUDGYNMGKBT-HLLBOEOZSA-N -1 3 399.495 3.214 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000737032149 599342040 /nfs/dbraw/zinc/34/20/40/599342040.db2.gz DUCQUDGYNMGKBT-HLLBOEOZSA-N -1 3 399.495 3.214 20 0 GGADHM CCOc1ccc(CN(C)C(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000821416884 599344429 /nfs/dbraw/zinc/34/44/29/599344429.db2.gz DWGZJGHKRVRXDN-UHFFFAOYSA-N -1 3 383.477 3.016 20 0 GGADHM CCOc1ccc(CN(C)C(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000821416884 599344431 /nfs/dbraw/zinc/34/44/31/599344431.db2.gz DWGZJGHKRVRXDN-UHFFFAOYSA-N -1 3 383.477 3.016 20 0 GGADHM C[C@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820716671 599355926 /nfs/dbraw/zinc/35/59/26/599355926.db2.gz KGGDVFHSQGSZRW-HNNXBMFYSA-N -1 3 391.479 3.307 20 0 GGADHM C[C@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820716671 599355929 /nfs/dbraw/zinc/35/59/29/599355929.db2.gz KGGDVFHSQGSZRW-HNNXBMFYSA-N -1 3 391.479 3.307 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(C(=O)N2CCCC2)c1C ZINC000821736104 607371099 /nfs/dbraw/zinc/37/10/99/607371099.db2.gz BFUFZAIQDXOSGM-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(C(=O)N2CCCC2)c1C ZINC000821736104 607371101 /nfs/dbraw/zinc/37/11/01/607371101.db2.gz BFUFZAIQDXOSGM-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C(=O)NCC(C)C)cc1C ZINC000821736157 607371183 /nfs/dbraw/zinc/37/11/83/607371183.db2.gz DGXBGPCDXHBIBP-UHFFFAOYSA-N -1 3 394.479 3.182 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C(=O)NCC(C)C)cc1C ZINC000821736157 607371186 /nfs/dbraw/zinc/37/11/86/607371186.db2.gz DGXBGPCDXHBIBP-UHFFFAOYSA-N -1 3 394.479 3.182 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1nccs1)c1ccccc1 ZINC000821733059 607371191 /nfs/dbraw/zinc/37/11/91/607371191.db2.gz ZGOGKQFIIKJOMW-KRWDZBQOSA-N -1 3 378.461 3.211 20 0 GGADHM COc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1OC ZINC000737095835 599361833 /nfs/dbraw/zinc/36/18/33/599361833.db2.gz OXXMMGOFRDONDZ-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cc1OC ZINC000737095835 599361835 /nfs/dbraw/zinc/36/18/35/599361835.db2.gz OXXMMGOFRDONDZ-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM Brc1ccc(N2CC[C@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000735368924 599363027 /nfs/dbraw/zinc/36/30/27/599363027.db2.gz PLJNTLKLEVTADI-AWEZNQCLSA-N -1 3 385.269 3.320 20 0 GGADHM Brc1ccc(N2CC[C@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735368924 599363028 /nfs/dbraw/zinc/36/30/28/599363028.db2.gz PLJNTLKLEVTADI-AWEZNQCLSA-N -1 3 385.269 3.320 20 0 GGADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1N1CCCC1=O ZINC000821719989 599365767 /nfs/dbraw/zinc/36/57/67/599365767.db2.gz KZRNAKOLTPRPOM-CYBMUJFWSA-N -1 3 378.436 3.175 20 0 GGADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1N1CCCC1=O ZINC000821719989 599365770 /nfs/dbraw/zinc/36/57/70/599365770.db2.gz KZRNAKOLTPRPOM-CYBMUJFWSA-N -1 3 378.436 3.175 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC(C2CCCC2)CC1 ZINC000669629423 599368882 /nfs/dbraw/zinc/36/88/82/599368882.db2.gz BZVIDRXQAFSNPW-UHFFFAOYSA-N -1 3 395.916 3.111 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC(C2CCCC2)CC1 ZINC000669629423 599368884 /nfs/dbraw/zinc/36/88/84/599368884.db2.gz BZVIDRXQAFSNPW-UHFFFAOYSA-N -1 3 395.916 3.111 20 0 GGADHM COc1ccc(COCCC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000737097485 599369517 /nfs/dbraw/zinc/36/95/17/599369517.db2.gz KYMRXQSEEDGGFJ-UHFFFAOYSA-N -1 3 387.465 3.099 20 0 GGADHM COc1ccc(COCCC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737097485 599369519 /nfs/dbraw/zinc/36/95/19/599369519.db2.gz KYMRXQSEEDGGFJ-UHFFFAOYSA-N -1 3 387.465 3.099 20 0 GGADHM Cc1c(Cl)cccc1OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737215217 599370187 /nfs/dbraw/zinc/37/01/87/599370187.db2.gz FGAJERUXYXFYPO-UHFFFAOYSA-N -1 3 389.868 3.396 20 0 GGADHM Cc1c(Cl)cccc1OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737215217 599370189 /nfs/dbraw/zinc/37/01/89/599370189.db2.gz FGAJERUXYXFYPO-UHFFFAOYSA-N -1 3 389.868 3.396 20 0 GGADHM CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821618962 599370704 /nfs/dbraw/zinc/37/07/04/599370704.db2.gz CXRJHVNTCJUFQA-UHFFFAOYSA-N -1 3 391.456 3.359 20 0 GGADHM CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821618962 599370706 /nfs/dbraw/zinc/37/07/06/599370706.db2.gz CXRJHVNTCJUFQA-UHFFFAOYSA-N -1 3 391.456 3.359 20 0 GGADHM CCC(CC)(CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820887594 599371151 /nfs/dbraw/zinc/37/11/51/599371151.db2.gz IDDXZQZSQHVIET-UHFFFAOYSA-N -1 3 399.520 3.044 20 0 GGADHM CCC(CC)(CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820887594 599371154 /nfs/dbraw/zinc/37/11/54/599371154.db2.gz IDDXZQZSQHVIET-UHFFFAOYSA-N -1 3 399.520 3.044 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000735660763 599371556 /nfs/dbraw/zinc/37/15/56/599371556.db2.gz OYMPLNHEDXHAKR-UHFFFAOYSA-N -1 3 391.435 3.259 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000735660763 599371558 /nfs/dbraw/zinc/37/15/58/599371558.db2.gz OYMPLNHEDXHAKR-UHFFFAOYSA-N -1 3 391.435 3.259 20 0 GGADHM CSCCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000737184493 599372354 /nfs/dbraw/zinc/37/23/54/599372354.db2.gz XXCSREVRLBNINT-UHFFFAOYSA-N -1 3 384.465 3.444 20 0 GGADHM O=C(Nc1cccnn1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738194495 599377029 /nfs/dbraw/zinc/37/70/29/599377029.db2.gz DARQFUKDQRJPOK-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM Cc1cnn(-c2ccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)cc2F)c1 ZINC000737445255 599379619 /nfs/dbraw/zinc/37/96/19/599379619.db2.gz RGRUPPXGMFMKCK-RMKNXTFCSA-N -1 3 389.394 3.152 20 0 GGADHM Cc1cnn(-c2ccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)cc2F)c1 ZINC000737445255 599379621 /nfs/dbraw/zinc/37/96/21/599379621.db2.gz RGRUPPXGMFMKCK-RMKNXTFCSA-N -1 3 389.394 3.152 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821644681 599380863 /nfs/dbraw/zinc/38/08/63/599380863.db2.gz GFVRHDWEAJRJSE-HNNXBMFYSA-N -1 3 391.353 3.298 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821644681 599380866 /nfs/dbraw/zinc/38/08/66/599380866.db2.gz GFVRHDWEAJRJSE-HNNXBMFYSA-N -1 3 391.353 3.298 20 0 GGADHM CCCOc1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821138760 599381411 /nfs/dbraw/zinc/38/14/11/599381411.db2.gz GUUBBYKPCXNWOA-UHFFFAOYSA-N -1 3 378.392 3.285 20 0 GGADHM CCCOc1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821138760 599381413 /nfs/dbraw/zinc/38/14/13/599381413.db2.gz GUUBBYKPCXNWOA-UHFFFAOYSA-N -1 3 378.392 3.285 20 0 GGADHM Ic1ccc(CSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822796267 599383548 /nfs/dbraw/zinc/38/35/48/599383548.db2.gz OHXPXYNOQLNDDC-UHFFFAOYSA-N -1 3 395.229 3.159 20 0 GGADHM COc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821883213 599387513 /nfs/dbraw/zinc/38/75/13/599387513.db2.gz SHGWBDQXJQLQTO-QWHCGFSZSA-N -1 3 391.435 3.337 20 0 GGADHM COc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821883213 599387517 /nfs/dbraw/zinc/38/75/17/599387517.db2.gz SHGWBDQXJQLQTO-QWHCGFSZSA-N -1 3 391.435 3.337 20 0 GGADHM COc1cccc(-c2noc([C@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000821853927 599387729 /nfs/dbraw/zinc/38/77/29/599387729.db2.gz CYDRPACYRDYGSO-STQMWFEESA-N -1 3 391.435 3.337 20 0 GGADHM COc1cccc(-c2noc([C@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000821853927 599387732 /nfs/dbraw/zinc/38/77/32/599387732.db2.gz CYDRPACYRDYGSO-STQMWFEESA-N -1 3 391.435 3.337 20 0 GGADHM COc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821883214 599387744 /nfs/dbraw/zinc/38/77/44/599387744.db2.gz SHGWBDQXJQLQTO-STQMWFEESA-N -1 3 391.435 3.337 20 0 GGADHM COc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821883214 599387747 /nfs/dbraw/zinc/38/77/47/599387747.db2.gz SHGWBDQXJQLQTO-STQMWFEESA-N -1 3 391.435 3.337 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000735736337 599388472 /nfs/dbraw/zinc/38/84/72/599388472.db2.gz SCAJQLHTFVVNPK-SFHVURJKSA-N -1 3 395.467 3.290 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000735736337 599388475 /nfs/dbraw/zinc/38/84/75/599388475.db2.gz SCAJQLHTFVVNPK-SFHVURJKSA-N -1 3 395.467 3.290 20 0 GGADHM COc1cc(CNCc2ccc(-c3nnn[n-]3)o2)ccc1OCc1ccccc1 ZINC000821717337 599393617 /nfs/dbraw/zinc/39/36/17/599393617.db2.gz NNVQPXUKVJWGPW-UHFFFAOYSA-N -1 3 391.431 3.337 20 0 GGADHM COc1cc(CNCc2ccc(-c3nn[n-]n3)o2)ccc1OCc1ccccc1 ZINC000821717337 599393620 /nfs/dbraw/zinc/39/36/20/599393620.db2.gz NNVQPXUKVJWGPW-UHFFFAOYSA-N -1 3 391.431 3.337 20 0 GGADHM CCN(C(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821153455 607372838 /nfs/dbraw/zinc/37/28/38/607372838.db2.gz CIKGXSGYRBBJKQ-UHFFFAOYSA-N -1 3 380.452 3.119 20 0 GGADHM CCN(C(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821153455 607372839 /nfs/dbraw/zinc/37/28/39/607372839.db2.gz CIKGXSGYRBBJKQ-UHFFFAOYSA-N -1 3 380.452 3.119 20 0 GGADHM Cc1cccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C ZINC000822323519 607373243 /nfs/dbraw/zinc/37/32/43/607373243.db2.gz JPYVCUICFDWQPD-UHFFFAOYSA-N -1 3 380.452 3.321 20 0 GGADHM Cc1cccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C ZINC000822323519 607373244 /nfs/dbraw/zinc/37/32/44/607373244.db2.gz JPYVCUICFDWQPD-UHFFFAOYSA-N -1 3 380.452 3.321 20 0 GGADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2c(c1)CCCC2 ZINC000820368315 599400634 /nfs/dbraw/zinc/40/06/34/599400634.db2.gz ZYHMWBSHZLDZCM-ZDUSSCGKSA-N -1 3 394.454 3.445 20 0 GGADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2c(c1)CCCC2 ZINC000820368315 599400639 /nfs/dbraw/zinc/40/06/39/599400639.db2.gz ZYHMWBSHZLDZCM-ZDUSSCGKSA-N -1 3 394.454 3.445 20 0 GGADHM CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820156030 599402697 /nfs/dbraw/zinc/40/26/97/599402697.db2.gz ZVXKSHYAIYNREN-AWEZNQCLSA-N -1 3 380.452 3.214 20 0 GGADHM CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820156030 599402701 /nfs/dbraw/zinc/40/27/01/599402701.db2.gz ZVXKSHYAIYNREN-AWEZNQCLSA-N -1 3 380.452 3.214 20 0 GGADHM Cc1cccc(C(=O)N2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)c1 ZINC000737382508 599404895 /nfs/dbraw/zinc/40/48/95/599404895.db2.gz WIYBDEFJBPBGPK-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM Cc1cccc(C(=O)N2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)c1 ZINC000737382508 599404896 /nfs/dbraw/zinc/40/48/96/599404896.db2.gz WIYBDEFJBPBGPK-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N[C@@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820173905 607374126 /nfs/dbraw/zinc/37/41/26/607374126.db2.gz NCXKEQTYTDKVAS-LBPRGKRZSA-N -1 3 386.481 3.005 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N[C@@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820173905 607374128 /nfs/dbraw/zinc/37/41/28/607374128.db2.gz NCXKEQTYTDKVAS-LBPRGKRZSA-N -1 3 386.481 3.005 20 0 GGADHM Cc1cccc([C@@H](CNc2cc(Cl)ccc2-c2nn[n-]n2)N2CCOCC2)c1 ZINC000737391254 599406667 /nfs/dbraw/zinc/40/66/67/599406667.db2.gz YTKYAVYOAFPVOB-LJQANCHMSA-N -1 3 398.898 3.314 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819959042 599408220 /nfs/dbraw/zinc/40/82/20/599408220.db2.gz WBJRNPDCKKDAJB-UHFFFAOYSA-N -1 3 396.470 3.345 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819959042 599408223 /nfs/dbraw/zinc/40/82/23/599408223.db2.gz WBJRNPDCKKDAJB-UHFFFAOYSA-N -1 3 396.470 3.345 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820177863 599408522 /nfs/dbraw/zinc/40/85/22/599408522.db2.gz BSPPAMJJRWEBEE-ZDUSSCGKSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820177863 599408525 /nfs/dbraw/zinc/40/85/25/599408525.db2.gz BSPPAMJJRWEBEE-ZDUSSCGKSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824193503 607374637 /nfs/dbraw/zinc/37/46/37/607374637.db2.gz ZANVHKUGACJADH-GOSISDBHSA-N -1 3 378.432 3.108 20 0 GGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824193503 607374639 /nfs/dbraw/zinc/37/46/39/607374639.db2.gz ZANVHKUGACJADH-GOSISDBHSA-N -1 3 378.432 3.108 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821827818 599412321 /nfs/dbraw/zinc/41/23/21/599412321.db2.gz KDDAZLVIXGSKGA-NWDGAFQWSA-N -1 3 384.415 3.136 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821827818 599412323 /nfs/dbraw/zinc/41/23/23/599412323.db2.gz KDDAZLVIXGSKGA-NWDGAFQWSA-N -1 3 384.415 3.136 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820667630 599414770 /nfs/dbraw/zinc/41/47/70/599414770.db2.gz NFXSTHBVPQIGGB-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820667630 599414771 /nfs/dbraw/zinc/41/47/71/599414771.db2.gz NFXSTHBVPQIGGB-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM COc1cc2c(cc1OC)CCN(c1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000737055155 599417100 /nfs/dbraw/zinc/41/71/00/599417100.db2.gz JGFYATRWWRXGFQ-UHFFFAOYSA-N -1 3 385.855 3.143 20 0 GGADHM COc1cc2c(cc1OC)CCN(c1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000737055155 599417101 /nfs/dbraw/zinc/41/71/01/599417101.db2.gz JGFYATRWWRXGFQ-UHFFFAOYSA-N -1 3 385.855 3.143 20 0 GGADHM O=C(CNc1cc(-c2nnn[n-]2)c2ccccc2n1)Nc1ccc(Cl)cc1 ZINC000737894576 599417426 /nfs/dbraw/zinc/41/74/26/599417426.db2.gz HBNZDZGWYCNCKG-UHFFFAOYSA-N -1 3 379.811 3.119 20 0 GGADHM O=C(CNc1cc(-c2nn[n-]n2)c2ccccc2n1)Nc1ccc(Cl)cc1 ZINC000737894576 599417429 /nfs/dbraw/zinc/41/74/29/599417429.db2.gz HBNZDZGWYCNCKG-UHFFFAOYSA-N -1 3 379.811 3.119 20 0 GGADHM C[C@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820741431 599417800 /nfs/dbraw/zinc/41/78/00/599417800.db2.gz DCVUXNJSEOFZOT-HNAYVOBHSA-N -1 3 376.464 3.202 20 0 GGADHM C[C@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820741431 599417802 /nfs/dbraw/zinc/41/78/02/599417802.db2.gz DCVUXNJSEOFZOT-HNAYVOBHSA-N -1 3 376.464 3.202 20 0 GGADHM COc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(OC)c1 ZINC000737090706 599419823 /nfs/dbraw/zinc/41/98/23/599419823.db2.gz SBPBSVYCKVSNLW-UHFFFAOYSA-N -1 3 376.420 3.087 20 0 GGADHM COc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(OC)c1 ZINC000737090706 599419827 /nfs/dbraw/zinc/41/98/27/599419827.db2.gz SBPBSVYCKVSNLW-UHFFFAOYSA-N -1 3 376.420 3.087 20 0 GGADHM CC(C)COc1cccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820103320 599421486 /nfs/dbraw/zinc/42/14/86/599421486.db2.gz UUHNTNCSUFSMGO-UHFFFAOYSA-N -1 3 398.442 3.040 20 0 GGADHM CC(C)COc1cccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820103320 599421488 /nfs/dbraw/zinc/42/14/88/599421488.db2.gz UUHNTNCSUFSMGO-UHFFFAOYSA-N -1 3 398.442 3.040 20 0 GGADHM Cc1cc2cc(C(=O)OCC(=O)c3ccc(-c4nnn[n-]4)cc3)oc2cc1C ZINC000826273337 607376296 /nfs/dbraw/zinc/37/62/96/607376296.db2.gz ZJCUUUHGKDRTHU-UHFFFAOYSA-N -1 3 376.372 3.269 20 0 GGADHM Cc1cc2cc(C(=O)OCC(=O)c3ccc(-c4nn[n-]n4)cc3)oc2cc1C ZINC000826273337 607376298 /nfs/dbraw/zinc/37/62/98/607376298.db2.gz ZJCUUUHGKDRTHU-UHFFFAOYSA-N -1 3 376.372 3.269 20 0 GGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824406730 607376320 /nfs/dbraw/zinc/37/63/20/607376320.db2.gz QVFVTAYLXSJICA-ZDUSSCGKSA-N -1 3 382.395 3.001 20 0 GGADHM C[C@@H](CCc1cccc(F)c1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824406730 607376322 /nfs/dbraw/zinc/37/63/22/607376322.db2.gz QVFVTAYLXSJICA-ZDUSSCGKSA-N -1 3 382.395 3.001 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736750144 599424941 /nfs/dbraw/zinc/42/49/41/599424941.db2.gz UANGNEMYPSFXTB-ZDUSSCGKSA-N -1 3 392.891 3.356 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736750144 599424942 /nfs/dbraw/zinc/42/49/42/599424942.db2.gz UANGNEMYPSFXTB-ZDUSSCGKSA-N -1 3 392.891 3.356 20 0 GGADHM COc1ccc(CC[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790284 599425220 /nfs/dbraw/zinc/42/52/20/599425220.db2.gz MGAWRWFFHYAIMT-LSDHHAIUSA-N -1 3 394.479 3.257 20 0 GGADHM COc1ccc(CC[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790284 599425222 /nfs/dbraw/zinc/42/52/22/599425222.db2.gz MGAWRWFFHYAIMT-LSDHHAIUSA-N -1 3 394.479 3.257 20 0 GGADHM C[C@H](NC(=O)NCc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820374483 599425265 /nfs/dbraw/zinc/42/52/65/599425265.db2.gz ODCHQULFYKLNIB-NSHDSACASA-N -1 3 390.369 3.446 20 0 GGADHM C[C@H](NC(=O)NCc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820374483 599425267 /nfs/dbraw/zinc/42/52/67/599425267.db2.gz ODCHQULFYKLNIB-NSHDSACASA-N -1 3 390.369 3.446 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc2sc3ccccc3n12 ZINC000821753066 607376599 /nfs/dbraw/zinc/37/65/99/607376599.db2.gz YSMJBTRCPUNOTL-UHFFFAOYSA-N -1 3 395.473 3.425 20 0 GGADHM COc1ccc(COCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737097886 599427749 /nfs/dbraw/zinc/42/77/49/599427749.db2.gz PPOFFYZFFDGLRA-UHFFFAOYSA-N -1 3 390.447 3.442 20 0 GGADHM COc1ccc(COCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737097886 599427752 /nfs/dbraw/zinc/42/77/52/599427752.db2.gz PPOFFYZFFDGLRA-UHFFFAOYSA-N -1 3 390.447 3.442 20 0 GGADHM Fc1ccc(N2CC[C@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)c(F)c1 ZINC000737660806 599432822 /nfs/dbraw/zinc/43/28/22/599432822.db2.gz QUROEUBFZBHLKA-ZDUSSCGKSA-N -1 3 393.401 3.384 20 0 GGADHM Fc1ccc(N2CC[C@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)c(F)c1 ZINC000737660806 599432824 /nfs/dbraw/zinc/43/28/24/599432824.db2.gz QUROEUBFZBHLKA-ZDUSSCGKSA-N -1 3 393.401 3.384 20 0 GGADHM Fc1cccc(N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)c1F ZINC000737662222 599439245 /nfs/dbraw/zinc/43/92/45/599439245.db2.gz SADSVUGWCOVTON-UHFFFAOYSA-N -1 3 393.401 3.020 20 0 GGADHM Fc1cccc(N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)c1F ZINC000737662222 599439248 /nfs/dbraw/zinc/43/92/48/599439248.db2.gz SADSVUGWCOVTON-UHFFFAOYSA-N -1 3 393.401 3.020 20 0 GGADHM CN(C)[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1c(F)cccc1F ZINC000736759216 599439474 /nfs/dbraw/zinc/43/94/74/599439474.db2.gz KFBBBDUODDIGSB-KRWDZBQOSA-N -1 3 395.417 3.408 20 0 GGADHM CN(C)[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1c(F)cccc1F ZINC000736759216 599439478 /nfs/dbraw/zinc/43/94/78/599439478.db2.gz KFBBBDUODDIGSB-KRWDZBQOSA-N -1 3 395.417 3.408 20 0 GGADHM O=C(COC(=O)c1cc2cccc(Cl)c2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415938 607378776 /nfs/dbraw/zinc/37/87/76/607378776.db2.gz ZZZOGUMFDYFSHY-UHFFFAOYSA-N -1 3 382.763 3.306 20 0 GGADHM O=C(COC(=O)c1cc2cccc(Cl)c2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415938 607378779 /nfs/dbraw/zinc/37/87/79/607378779.db2.gz ZZZOGUMFDYFSHY-UHFFFAOYSA-N -1 3 382.763 3.306 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COc1nc(-c2ccccc2Cl)no1 ZINC000821749842 607378894 /nfs/dbraw/zinc/37/88/94/607378894.db2.gz ZWBMWZMMBJUEQX-UHFFFAOYSA-N -1 3 384.783 3.158 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820357537 599440943 /nfs/dbraw/zinc/44/09/43/599440943.db2.gz HNUASHOQYFKQMC-RRQGHBQHSA-N -1 3 386.500 3.068 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820357537 599440944 /nfs/dbraw/zinc/44/09/44/599440944.db2.gz HNUASHOQYFKQMC-RRQGHBQHSA-N -1 3 386.500 3.068 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358842 599442565 /nfs/dbraw/zinc/44/25/65/599442565.db2.gz PJJSNRZPDAJILP-YVEFUNNKSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358842 599442568 /nfs/dbraw/zinc/44/25/68/599442568.db2.gz PJJSNRZPDAJILP-YVEFUNNKSA-N -1 3 396.426 3.280 20 0 GGADHM CCC[C@@H](C)c1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000821014012 599445285 /nfs/dbraw/zinc/44/52/85/599445285.db2.gz APZOYZFXYPSWOC-GFCCVEGCSA-N -1 3 385.497 3.365 20 0 GGADHM CCC[C@@H](C)c1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821014012 599445287 /nfs/dbraw/zinc/44/52/87/599445287.db2.gz APZOYZFXYPSWOC-GFCCVEGCSA-N -1 3 385.497 3.365 20 0 GGADHM CCC(CC)c1cc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000820897694 599450473 /nfs/dbraw/zinc/45/04/73/599450473.db2.gz LYHQSEKUAYSFSK-LBPRGKRZSA-N -1 3 383.456 3.319 20 0 GGADHM CCC(CC)c1cc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000820897694 599450474 /nfs/dbraw/zinc/45/04/74/599450474.db2.gz LYHQSEKUAYSFSK-LBPRGKRZSA-N -1 3 383.456 3.319 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736134919 599451043 /nfs/dbraw/zinc/45/10/43/599451043.db2.gz WGOUJUHECIEQHY-MNOVXSKESA-N -1 3 388.834 3.337 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736134919 599451045 /nfs/dbraw/zinc/45/10/45/599451045.db2.gz WGOUJUHECIEQHY-MNOVXSKESA-N -1 3 388.834 3.337 20 0 GGADHM O=C(CSCc1cc(-c2ccccc2)on1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737933065 599451906 /nfs/dbraw/zinc/45/19/06/599451906.db2.gz SPSHUIKTNLOBLC-UHFFFAOYSA-N -1 3 392.444 3.394 20 0 GGADHM O=C(CSCc1cc(-c2ccccc2)on1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737933065 599451908 /nfs/dbraw/zinc/45/19/08/599451908.db2.gz SPSHUIKTNLOBLC-UHFFFAOYSA-N -1 3 392.444 3.394 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820642572 607379894 /nfs/dbraw/zinc/37/98/94/607379894.db2.gz KHALTNHGFKFGKO-YCRPNKLZSA-N -1 3 398.470 3.414 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820642572 607379897 /nfs/dbraw/zinc/37/98/97/607379897.db2.gz KHALTNHGFKFGKO-YCRPNKLZSA-N -1 3 398.470 3.414 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736959765 599453893 /nfs/dbraw/zinc/45/38/93/599453893.db2.gz DIBHJVROSQQWBM-BZNIZROVSA-N -1 3 386.843 3.418 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736959765 599453896 /nfs/dbraw/zinc/45/38/96/599453896.db2.gz DIBHJVROSQQWBM-BZNIZROVSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196678 599456231 /nfs/dbraw/zinc/45/62/31/599456231.db2.gz SHGSVMFBSVJDFB-INIZCTEOSA-N -1 3 378.480 3.256 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196678 599456234 /nfs/dbraw/zinc/45/62/34/599456234.db2.gz SHGSVMFBSVJDFB-INIZCTEOSA-N -1 3 378.480 3.256 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196361 599456744 /nfs/dbraw/zinc/45/67/44/599456744.db2.gz GSEQQPZNFBLAAA-CVEARBPZSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196361 599456746 /nfs/dbraw/zinc/45/67/46/599456746.db2.gz GSEQQPZNFBLAAA-CVEARBPZSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1ccccc1O[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822362126 599457439 /nfs/dbraw/zinc/45/74/39/599457439.db2.gz MUKPXDFAASHHLT-GJZGRUSLSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccccc1O[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822362126 599457442 /nfs/dbraw/zinc/45/74/42/599457442.db2.gz MUKPXDFAASHHLT-GJZGRUSLSA-N -1 3 380.452 3.003 20 0 GGADHM CCCCn1nc(C)c(CNCc2cc(-c3nn[n-]n3)ccc2F)c1Cl ZINC000821082823 599458264 /nfs/dbraw/zinc/45/82/64/599458264.db2.gz PEYLBBBZJORAOX-UHFFFAOYSA-N -1 3 377.855 3.254 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccc(Br)cc1F ZINC000822748291 599459096 /nfs/dbraw/zinc/45/90/96/599459096.db2.gz RRQIDUOBXKTGLW-UHFFFAOYSA-N -1 3 380.196 3.197 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000823233728 599464365 /nfs/dbraw/zinc/46/43/65/599464365.db2.gz HVAMETLKZCSIKO-QGZVFWFLSA-N -1 3 384.390 3.192 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000823233728 599464366 /nfs/dbraw/zinc/46/43/66/599464366.db2.gz HVAMETLKZCSIKO-QGZVFWFLSA-N -1 3 384.390 3.192 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822233874 599464622 /nfs/dbraw/zinc/46/46/22/599464622.db2.gz XCHHDEGMASMBJX-SFHVURJKSA-N -1 3 380.427 3.361 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822233874 599464626 /nfs/dbraw/zinc/46/46/26/599464626.db2.gz XCHHDEGMASMBJX-SFHVURJKSA-N -1 3 380.427 3.361 20 0 GGADHM CC(C)CN(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820092809 599465386 /nfs/dbraw/zinc/46/53/86/599465386.db2.gz PQDUPIYQWPFUPT-UHFFFAOYSA-N -1 3 382.443 3.374 20 0 GGADHM CC(C)CN(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820092809 599465388 /nfs/dbraw/zinc/46/53/88/599465388.db2.gz PQDUPIYQWPFUPT-UHFFFAOYSA-N -1 3 382.443 3.374 20 0 GGADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738171161 599466541 /nfs/dbraw/zinc/46/65/41/599466541.db2.gz CYXJOXIGIQAQCI-UHFFFAOYSA-N -1 3 386.415 3.136 20 0 GGADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738171161 599466543 /nfs/dbraw/zinc/46/65/43/599466543.db2.gz CYXJOXIGIQAQCI-UHFFFAOYSA-N -1 3 386.415 3.136 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736165196 599467559 /nfs/dbraw/zinc/46/75/59/599467559.db2.gz SVBYBLYWGSEJDF-KGLIPLIRSA-N -1 3 399.882 3.377 20 0 GGADHM CCc1cnc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000821499473 599468814 /nfs/dbraw/zinc/46/88/14/599468814.db2.gz LKFFAICPMSCCCR-UHFFFAOYSA-N -1 3 399.524 3.253 20 0 GGADHM CCc1cnc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000821499473 599468816 /nfs/dbraw/zinc/46/88/16/599468816.db2.gz LKFFAICPMSCCCR-UHFFFAOYSA-N -1 3 399.524 3.253 20 0 GGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736234759 599468953 /nfs/dbraw/zinc/46/89/53/599468953.db2.gz KGEQVCWCESSKDH-RDTXWAMCSA-N -1 3 379.439 3.343 20 0 GGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736234759 599468957 /nfs/dbraw/zinc/46/89/57/599468957.db2.gz KGEQVCWCESSKDH-RDTXWAMCSA-N -1 3 379.439 3.343 20 0 GGADHM Cc1cccc(C(=O)N2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c1 ZINC000822284331 599469952 /nfs/dbraw/zinc/46/99/52/599469952.db2.gz OYPOWRRDTMEDJF-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM Cc1cccc(C(=O)N2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)c1 ZINC000822284331 599469955 /nfs/dbraw/zinc/46/99/55/599469955.db2.gz OYPOWRRDTMEDJF-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM OC[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000823707021 599473725 /nfs/dbraw/zinc/47/37/25/599473725.db2.gz UZLOAHAXCQOTDY-LBPRGKRZSA-N -1 3 395.360 3.288 20 0 GGADHM Cc1cccc([C@@H](CNc2c(Cl)cccc2-c2nnn[n-]2)N2CCOCC2)c1 ZINC000822289142 599474093 /nfs/dbraw/zinc/47/40/93/599474093.db2.gz SIMBHNFYPVTLQA-GOSISDBHSA-N -1 3 398.898 3.314 20 0 GGADHM Cc1cccc([C@@H](CNc2c(Cl)cccc2-c2nn[n-]n2)N2CCOCC2)c1 ZINC000822289142 599474096 /nfs/dbraw/zinc/47/40/96/599474096.db2.gz SIMBHNFYPVTLQA-GOSISDBHSA-N -1 3 398.898 3.314 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@@H](O)c1cccc(Cl)c1 ZINC000822204214 599474597 /nfs/dbraw/zinc/47/45/97/599474597.db2.gz IFFZNSDLFKBSMN-MRXNPFEDSA-N -1 3 398.829 3.083 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@@H](O)c1cccc(Cl)c1 ZINC000822204214 599474598 /nfs/dbraw/zinc/47/45/98/599474598.db2.gz IFFZNSDLFKBSMN-MRXNPFEDSA-N -1 3 398.829 3.083 20 0 GGADHM C[C@H](NC(=O)N1CCc2cc(F)ccc2[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351239 599477671 /nfs/dbraw/zinc/47/76/71/599477671.db2.gz NHWRKPXOQDGKEL-QWHCGFSZSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@H](NC(=O)N1CCc2cc(F)ccc2[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351239 599477674 /nfs/dbraw/zinc/47/76/74/599477674.db2.gz NHWRKPXOQDGKEL-QWHCGFSZSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357549 599478689 /nfs/dbraw/zinc/47/86/89/599478689.db2.gz HNYODEUYNSLUNR-YWZLYKJASA-N -1 3 399.458 3.412 20 0 GGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357549 599478692 /nfs/dbraw/zinc/47/86/92/599478692.db2.gz HNYODEUYNSLUNR-YWZLYKJASA-N -1 3 399.458 3.412 20 0 GGADHM O=C(c1cc(F)ccc1F)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823472148 599481575 /nfs/dbraw/zinc/48/15/75/599481575.db2.gz BQUAVNQMBDRCJN-UHFFFAOYSA-N -1 3 387.365 3.383 20 0 GGADHM O=C(c1cc(F)ccc1F)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823472148 599481580 /nfs/dbraw/zinc/48/15/80/599481580.db2.gz BQUAVNQMBDRCJN-UHFFFAOYSA-N -1 3 387.365 3.383 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821889986 599482436 /nfs/dbraw/zinc/48/24/36/599482436.db2.gz IRZZNHJYPHZMHI-HUUCEWRRSA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821889986 599482439 /nfs/dbraw/zinc/48/24/39/599482439.db2.gz IRZZNHJYPHZMHI-HUUCEWRRSA-N -1 3 394.479 3.209 20 0 GGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000820921240 599484190 /nfs/dbraw/zinc/48/41/90/599484190.db2.gz XGVUBHQPGKDFBU-UGSOOPFHSA-N -1 3 380.452 3.387 20 0 GGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000820921240 599484192 /nfs/dbraw/zinc/48/41/92/599484192.db2.gz XGVUBHQPGKDFBU-UGSOOPFHSA-N -1 3 380.452 3.387 20 0 GGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c(OC)c1 ZINC000821818222 599485307 /nfs/dbraw/zinc/48/53/07/599485307.db2.gz LNCWLTJHKMFJGW-UHFFFAOYSA-N -1 3 396.838 3.120 20 0 GGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c(OC)c1 ZINC000821818222 599485308 /nfs/dbraw/zinc/48/53/08/599485308.db2.gz LNCWLTJHKMFJGW-UHFFFAOYSA-N -1 3 396.838 3.120 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820734431 599485729 /nfs/dbraw/zinc/48/57/29/599485729.db2.gz NAUUBUQYSZETLI-ZRGWGRIASA-N -1 3 392.463 3.099 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820734431 599485730 /nfs/dbraw/zinc/48/57/30/599485730.db2.gz NAUUBUQYSZETLI-ZRGWGRIASA-N -1 3 392.463 3.099 20 0 GGADHM Cc1ccc(NC(=O)C2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)nc1 ZINC000822242575 599486173 /nfs/dbraw/zinc/48/61/73/599486173.db2.gz QDSIEBMIQALCQI-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM Cc1ccc(NC(=O)C2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)nc1 ZINC000822242575 599486174 /nfs/dbraw/zinc/48/61/74/599486174.db2.gz QDSIEBMIQALCQI-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1)c1ccccn1 ZINC000823363688 599488764 /nfs/dbraw/zinc/48/87/64/599488764.db2.gz MBAKAASWXZXOTC-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1)c1ccccn1 ZINC000823363688 599488767 /nfs/dbraw/zinc/48/87/67/599488767.db2.gz MBAKAASWXZXOTC-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM Cn1nccc1[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000822709382 599489072 /nfs/dbraw/zinc/48/90/72/599489072.db2.gz KQWJWXYTVKAQNV-GFCCVEGCSA-N -1 3 394.870 3.186 20 0 GGADHM Cn1nccc1[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000822709382 599489075 /nfs/dbraw/zinc/48/90/75/599489075.db2.gz KQWJWXYTVKAQNV-GFCCVEGCSA-N -1 3 394.870 3.186 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)O1 ZINC000820684179 599493746 /nfs/dbraw/zinc/49/37/46/599493746.db2.gz MWWPDBLEUBJCJV-IUODEOHRSA-N -1 3 397.401 3.105 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)O1 ZINC000820684179 599493749 /nfs/dbraw/zinc/49/37/49/599493749.db2.gz MWWPDBLEUBJCJV-IUODEOHRSA-N -1 3 397.401 3.105 20 0 GGADHM Fc1cc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)ccc1-n1ccnc1 ZINC000822748193 599496292 /nfs/dbraw/zinc/49/62/92/599496292.db2.gz MQKVQDIWNLRRJJ-UHFFFAOYSA-N -1 3 386.394 3.352 20 0 GGADHM Cc1ccc(-c2cnc(COC(=O)c3ccc(-c4nnn[n-]4)cc3C)o2)cc1 ZINC000826273778 607381618 /nfs/dbraw/zinc/38/16/18/607381618.db2.gz TXQNSYLTGDZWMC-UHFFFAOYSA-N -1 3 375.388 3.496 20 0 GGADHM Cc1ccc(-c2cnc(COC(=O)c3ccc(-c4nn[n-]n4)cc3C)o2)cc1 ZINC000826273778 607381619 /nfs/dbraw/zinc/38/16/19/607381619.db2.gz TXQNSYLTGDZWMC-UHFFFAOYSA-N -1 3 375.388 3.496 20 0 GGADHM CCCCCC(=O)NC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000821044020 599508495 /nfs/dbraw/zinc/50/84/95/599508495.db2.gz XCNSNLNOGKXHRL-UHFFFAOYSA-N -1 3 376.892 3.185 20 0 GGADHM CCCCCC(=O)NC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000821044020 599508496 /nfs/dbraw/zinc/50/84/96/599508496.db2.gz XCNSNLNOGKXHRL-UHFFFAOYSA-N -1 3 376.892 3.185 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821769231 599510532 /nfs/dbraw/zinc/51/05/32/599510532.db2.gz FQUIWPRJXVUWSS-AWEZNQCLSA-N -1 3 393.447 3.106 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821769231 599510534 /nfs/dbraw/zinc/51/05/34/599510534.db2.gz FQUIWPRJXVUWSS-AWEZNQCLSA-N -1 3 393.447 3.106 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820385152 599511544 /nfs/dbraw/zinc/51/15/44/599511544.db2.gz PTBZNRRXTATNIN-LLVKDONJSA-N -1 3 378.367 3.152 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820385152 599511545 /nfs/dbraw/zinc/51/15/45/599511545.db2.gz PTBZNRRXTATNIN-LLVKDONJSA-N -1 3 378.367 3.152 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1CC(F)(F)F ZINC000822168874 599513428 /nfs/dbraw/zinc/51/34/28/599513428.db2.gz UREUSCDKVDXJHQ-LLVKDONJSA-N -1 3 392.385 3.338 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1CC(F)(F)F ZINC000822168874 599513430 /nfs/dbraw/zinc/51/34/30/599513430.db2.gz UREUSCDKVDXJHQ-LLVKDONJSA-N -1 3 392.385 3.338 20 0 GGADHM COc1ccc(CCNc2ccc(F)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000821791027 599513746 /nfs/dbraw/zinc/51/37/46/599513746.db2.gz ZLZQBVAKRMJCCI-UHFFFAOYSA-N -1 3 379.342 3.270 20 0 GGADHM COc1ccc(CCNc2ccc(F)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000821791027 599513748 /nfs/dbraw/zinc/51/37/48/599513748.db2.gz ZLZQBVAKRMJCCI-UHFFFAOYSA-N -1 3 379.342 3.270 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1nc(C)c2ccccc2n1 ZINC000822444141 599518954 /nfs/dbraw/zinc/51/89/54/599518954.db2.gz CZJXWAOHGYFOBM-UHFFFAOYSA-N -1 3 382.431 3.009 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1nc(C)c2ccccc2n1 ZINC000822444141 599518955 /nfs/dbraw/zinc/51/89/55/599518955.db2.gz CZJXWAOHGYFOBM-UHFFFAOYSA-N -1 3 382.431 3.009 20 0 GGADHM CC(C)c1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000820187649 599520749 /nfs/dbraw/zinc/52/07/49/599520749.db2.gz KZQOSNRRMODSNS-CYBMUJFWSA-N -1 3 381.484 3.433 20 0 GGADHM CC(C)c1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000820187649 599520752 /nfs/dbraw/zinc/52/07/52/599520752.db2.gz KZQOSNRRMODSNS-CYBMUJFWSA-N -1 3 381.484 3.433 20 0 GGADHM COc1ccccc1[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737145258 599521027 /nfs/dbraw/zinc/52/10/27/599521027.db2.gz CBQHIMPNAREJPT-AWEZNQCLSA-N -1 3 379.342 3.040 20 0 GGADHM CC(C)c1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000820187650 599521131 /nfs/dbraw/zinc/52/11/31/599521131.db2.gz KZQOSNRRMODSNS-ZDUSSCGKSA-N -1 3 381.484 3.433 20 0 GGADHM CC(C)c1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000820187650 599521132 /nfs/dbraw/zinc/52/11/32/599521132.db2.gz KZQOSNRRMODSNS-ZDUSSCGKSA-N -1 3 381.484 3.433 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](c2ccccc2F)C1 ZINC000822336903 599521660 /nfs/dbraw/zinc/52/16/60/599521660.db2.gz SWFBRBMQIKYIDR-GOSISDBHSA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](c2ccccc2F)C1 ZINC000822336903 599521663 /nfs/dbraw/zinc/52/16/63/599521663.db2.gz SWFBRBMQIKYIDR-GOSISDBHSA-N -1 3 390.422 3.440 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000822581264 599524137 /nfs/dbraw/zinc/52/41/37/599524137.db2.gz GPYJHZDDFFCQLD-CYBMUJFWSA-N -1 3 380.843 3.106 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000822581264 599524140 /nfs/dbraw/zinc/52/41/40/599524140.db2.gz GPYJHZDDFFCQLD-CYBMUJFWSA-N -1 3 380.843 3.106 20 0 GGADHM CCc1ccc(-c2noc(COC(=O)c3ccc(-c4nnn[n-]4)cc3C)n2)cc1 ZINC000825705217 607382254 /nfs/dbraw/zinc/38/22/54/607382254.db2.gz YZXNEFROFHVBOE-UHFFFAOYSA-N -1 3 390.403 3.145 20 0 GGADHM CCc1ccc(-c2noc(COC(=O)c3ccc(-c4nn[n-]n4)cc3C)n2)cc1 ZINC000825705217 607382256 /nfs/dbraw/zinc/38/22/56/607382256.db2.gz YZXNEFROFHVBOE-UHFFFAOYSA-N -1 3 390.403 3.145 20 0 GGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822015498 599526891 /nfs/dbraw/zinc/52/68/91/599526891.db2.gz KYOBIOPEUOPCFB-LBPRGKRZSA-N -1 3 392.463 3.149 20 0 GGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822015498 599526892 /nfs/dbraw/zinc/52/68/92/599526892.db2.gz KYOBIOPEUOPCFB-LBPRGKRZSA-N -1 3 392.463 3.149 20 0 GGADHM Cn1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cn1 ZINC000822673872 599527126 /nfs/dbraw/zinc/52/71/26/599527126.db2.gz FDVJLZSDPDUWLG-MRXNPFEDSA-N -1 3 380.843 3.143 20 0 GGADHM Cn1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cn1 ZINC000822673872 599527128 /nfs/dbraw/zinc/52/71/28/599527128.db2.gz FDVJLZSDPDUWLG-MRXNPFEDSA-N -1 3 380.843 3.143 20 0 GGADHM C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820326825 599528518 /nfs/dbraw/zinc/52/85/18/599528518.db2.gz ADPHXEQLBRMLIK-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820326825 599528520 /nfs/dbraw/zinc/52/85/20/599528520.db2.gz ADPHXEQLBRMLIK-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820326824 599528923 /nfs/dbraw/zinc/52/89/23/599528923.db2.gz ADPHXEQLBRMLIK-JTQLQIEISA-N -1 3 392.246 3.430 20 0 GGADHM C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820326824 599528925 /nfs/dbraw/zinc/52/89/25/599528925.db2.gz ADPHXEQLBRMLIK-JTQLQIEISA-N -1 3 392.246 3.430 20 0 GGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822201967 599529775 /nfs/dbraw/zinc/52/97/75/599529775.db2.gz DTQOYMDDJFXTLC-STQMWFEESA-N -1 3 385.855 3.473 20 0 GGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822201967 599529777 /nfs/dbraw/zinc/52/97/77/599529777.db2.gz DTQOYMDDJFXTLC-STQMWFEESA-N -1 3 385.855 3.473 20 0 GGADHM O=C(COC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415978 607382424 /nfs/dbraw/zinc/38/24/24/607382424.db2.gz BZQWTBZWWHFKMF-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM O=C(COC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415978 607382426 /nfs/dbraw/zinc/38/24/26/607382426.db2.gz BZQWTBZWWHFKMF-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000822419314 599530490 /nfs/dbraw/zinc/53/04/90/599530490.db2.gz PJAFTSOKOQOGIF-SNVBAGLBSA-N -1 3 379.449 3.118 20 0 GGADHM Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000822419314 599530492 /nfs/dbraw/zinc/53/04/92/599530492.db2.gz PJAFTSOKOQOGIF-SNVBAGLBSA-N -1 3 379.449 3.118 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822197422 599532297 /nfs/dbraw/zinc/53/22/97/599532297.db2.gz AUBHQYSRYNHZHH-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822197422 599532298 /nfs/dbraw/zinc/53/22/98/599532298.db2.gz AUBHQYSRYNHZHH-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822535616 599535490 /nfs/dbraw/zinc/53/54/90/599535490.db2.gz YKPJOLYWRNUHQH-LLVKDONJSA-N -1 3 394.460 3.312 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822535616 599535493 /nfs/dbraw/zinc/53/54/93/599535493.db2.gz YKPJOLYWRNUHQH-LLVKDONJSA-N -1 3 394.460 3.312 20 0 GGADHM C[C@H](NC(=O)c1cccnc1SC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397769 599536837 /nfs/dbraw/zinc/53/68/37/599536837.db2.gz SRXAWNUCHLMUOD-VIFPVBQESA-N -1 3 394.382 3.365 20 0 GGADHM C[C@H](NC(=O)c1cccnc1SC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397769 599536840 /nfs/dbraw/zinc/53/68/40/599536840.db2.gz SRXAWNUCHLMUOD-VIFPVBQESA-N -1 3 394.382 3.365 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822242655 599538376 /nfs/dbraw/zinc/53/83/76/599538376.db2.gz SODPILDOWOYELK-HNNXBMFYSA-N -1 3 376.464 3.266 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822242655 599538378 /nfs/dbraw/zinc/53/83/78/599538378.db2.gz SODPILDOWOYELK-HNNXBMFYSA-N -1 3 376.464 3.266 20 0 GGADHM C[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820334599 599539206 /nfs/dbraw/zinc/53/92/06/599539206.db2.gz ORDAJJMKIGQLAO-LLVKDONJSA-N -1 3 380.839 3.421 20 0 GGADHM C[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820334599 599539208 /nfs/dbraw/zinc/53/92/08/599539208.db2.gz ORDAJJMKIGQLAO-LLVKDONJSA-N -1 3 380.839 3.421 20 0 GGADHM Cc1nccn1[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000822477646 599540222 /nfs/dbraw/zinc/54/02/22/599540222.db2.gz NMDHODLJAKOVIS-CYBMUJFWSA-N -1 3 396.405 3.040 20 0 GGADHM Cc1sc(NC(=O)Cc2csc(-c3ccoc3)n2)c(-c2nnn[n-]2)c1C ZINC000737563653 599540322 /nfs/dbraw/zinc/54/03/22/599540322.db2.gz OKDHOIAZERFPFH-UHFFFAOYSA-N -1 3 386.462 3.443 20 0 GGADHM Cc1sc(NC(=O)Cc2csc(-c3ccoc3)n2)c(-c2nn[n-]n2)c1C ZINC000737563653 599540324 /nfs/dbraw/zinc/54/03/24/599540324.db2.gz OKDHOIAZERFPFH-UHFFFAOYSA-N -1 3 386.462 3.443 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000826251311 607383067 /nfs/dbraw/zinc/38/30/67/607383067.db2.gz LNTCBPYFRJHUQO-ZDUSSCGKSA-N -1 3 376.416 3.092 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000826251311 607383069 /nfs/dbraw/zinc/38/30/69/607383069.db2.gz LNTCBPYFRJHUQO-ZDUSSCGKSA-N -1 3 376.416 3.092 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1coc(-c2ccccc2)n1 ZINC000738211855 599540423 /nfs/dbraw/zinc/54/04/23/599540423.db2.gz UJRKISJSSLVBFL-UHFFFAOYSA-N -1 3 378.417 3.324 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1coc(-c2ccccc2)n1 ZINC000738211855 599540424 /nfs/dbraw/zinc/54/04/24/599540424.db2.gz UJRKISJSSLVBFL-UHFFFAOYSA-N -1 3 378.417 3.324 20 0 GGADHM COc1cc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCC2)ccc1C ZINC000821711949 599542569 /nfs/dbraw/zinc/54/25/69/599542569.db2.gz BLLKZMIIEVSDPJ-OAHLLOKOSA-N -1 3 391.475 3.483 20 0 GGADHM COc1cc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCC2)ccc1C ZINC000821711949 599542571 /nfs/dbraw/zinc/54/25/71/599542571.db2.gz BLLKZMIIEVSDPJ-OAHLLOKOSA-N -1 3 391.475 3.483 20 0 GGADHM Fc1ccc2c(c1)[C@H](Nc1c(-c3nnn[n-]3)cnc3c(F)ccc(F)c31)CC2 ZINC000822786788 599542794 /nfs/dbraw/zinc/54/27/94/599542794.db2.gz PNXPGHYSOIZOGV-OAHLLOKOSA-N -1 3 382.349 3.354 20 0 GGADHM Fc1ccc2c(c1)[C@H](Nc1c(-c3nn[n-]n3)cnc3c(F)ccc(F)c31)CC2 ZINC000822786788 599542795 /nfs/dbraw/zinc/54/27/95/599542795.db2.gz PNXPGHYSOIZOGV-OAHLLOKOSA-N -1 3 382.349 3.354 20 0 GGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1C ZINC000822345675 599543310 /nfs/dbraw/zinc/54/33/10/599543310.db2.gz OTCQXAPRRNRMRJ-AWEZNQCLSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1C ZINC000822345675 599543312 /nfs/dbraw/zinc/54/33/12/599543312.db2.gz OTCQXAPRRNRMRJ-AWEZNQCLSA-N -1 3 387.447 3.160 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820384337 599543900 /nfs/dbraw/zinc/54/39/00/599543900.db2.gz BSHCQVXPZLZQBP-LBPRGKRZSA-N -1 3 390.463 3.135 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820384337 599543902 /nfs/dbraw/zinc/54/39/02/599543902.db2.gz BSHCQVXPZLZQBP-LBPRGKRZSA-N -1 3 390.463 3.135 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736056314 599544252 /nfs/dbraw/zinc/54/42/52/599544252.db2.gz ASIRLZGBEILEFL-JTQLQIEISA-N -1 3 391.353 3.425 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736056314 599544254 /nfs/dbraw/zinc/54/42/54/599544254.db2.gz ASIRLZGBEILEFL-JTQLQIEISA-N -1 3 391.353 3.425 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822486825 599545140 /nfs/dbraw/zinc/54/51/40/599545140.db2.gz TWENJYSOWAJVBS-CYBMUJFWSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822486825 599545142 /nfs/dbraw/zinc/54/51/42/599545142.db2.gz TWENJYSOWAJVBS-CYBMUJFWSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822554390 599546065 /nfs/dbraw/zinc/54/60/65/599546065.db2.gz ZWPVTFXPSALMTD-SNVBAGLBSA-N -1 3 380.433 3.383 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822554390 599546067 /nfs/dbraw/zinc/54/60/67/599546067.db2.gz ZWPVTFXPSALMTD-SNVBAGLBSA-N -1 3 380.433 3.383 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736349546 599550140 /nfs/dbraw/zinc/55/01/40/599550140.db2.gz GNDDWNQOOFKELT-ZBEGNZNMSA-N -1 3 387.390 3.180 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736349546 599550142 /nfs/dbraw/zinc/55/01/42/599550142.db2.gz GNDDWNQOOFKELT-ZBEGNZNMSA-N -1 3 387.390 3.180 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737333402 599550662 /nfs/dbraw/zinc/55/06/62/599550662.db2.gz ATIVFJBQGOGMSM-GFCCVEGCSA-N -1 3 387.534 3.217 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737333402 599550664 /nfs/dbraw/zinc/55/06/64/599550664.db2.gz ATIVFJBQGOGMSM-GFCCVEGCSA-N -1 3 387.534 3.217 20 0 GGADHM CC[C@H](c1ccncc1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736395853 599553097 /nfs/dbraw/zinc/55/30/97/599553097.db2.gz JQQRLAIWXRIDAA-LJQANCHMSA-N -1 3 394.479 3.421 20 0 GGADHM CC[C@H](c1ccncc1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736395853 599553100 /nfs/dbraw/zinc/55/31/00/599553100.db2.gz JQQRLAIWXRIDAA-LJQANCHMSA-N -1 3 394.479 3.421 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000822235010 599553657 /nfs/dbraw/zinc/55/36/57/599553657.db2.gz ONUZWZRTFKFOGW-LBPRGKRZSA-N -1 3 385.472 3.467 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000822235010 599553660 /nfs/dbraw/zinc/55/36/60/599553660.db2.gz ONUZWZRTFKFOGW-LBPRGKRZSA-N -1 3 385.472 3.467 20 0 GGADHM C[C@@H]1CSCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736291527 599557724 /nfs/dbraw/zinc/55/77/24/599557724.db2.gz BSQBFXRAMVTBHC-CQSZACIVSA-N -1 3 395.488 3.023 20 0 GGADHM CCOc1cc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)ccc1OC ZINC000821394845 599557854 /nfs/dbraw/zinc/55/78/54/599557854.db2.gz OHZBKEDTFODOKR-UHFFFAOYSA-N -1 3 390.447 3.165 20 0 GGADHM CCOc1cc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)ccc1OC ZINC000821394845 599557857 /nfs/dbraw/zinc/55/78/57/599557857.db2.gz OHZBKEDTFODOKR-UHFFFAOYSA-N -1 3 390.447 3.165 20 0 GGADHM c1csc([C@H]2CCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823737408 599560071 /nfs/dbraw/zinc/56/00/71/599560071.db2.gz DEPXTSOBTWWPAX-CQSZACIVSA-N -1 3 379.449 3.315 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(Cl)cc1 ZINC000821609941 599562782 /nfs/dbraw/zinc/56/27/82/599562782.db2.gz SFMPODURKKXODF-UHFFFAOYSA-N -1 3 381.827 3.202 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccc(Cl)cc1 ZINC000821609941 599562783 /nfs/dbraw/zinc/56/27/83/599562783.db2.gz SFMPODURKKXODF-UHFFFAOYSA-N -1 3 381.827 3.202 20 0 GGADHM c1cc([C@H]2CCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cs1 ZINC000823748076 599563459 /nfs/dbraw/zinc/56/34/59/599563459.db2.gz PDRJAIFOQCJHQB-OAHLLOKOSA-N -1 3 379.449 3.315 20 0 GGADHM c1cc([C@H]2CCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cs1 ZINC000823748076 599563461 /nfs/dbraw/zinc/56/34/61/599563461.db2.gz PDRJAIFOQCJHQB-OAHLLOKOSA-N -1 3 379.449 3.315 20 0 GGADHM CCCN(Cc1nnc(-c2cccc(F)c2)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821104422 599564406 /nfs/dbraw/zinc/56/44/06/599564406.db2.gz CMMFXCDBCKPFLE-UHFFFAOYSA-N -1 3 393.426 3.468 20 0 GGADHM CN(CC(F)(F)F)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736789326 599564804 /nfs/dbraw/zinc/56/48/04/599564804.db2.gz XBJHPRZJPDTORH-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM CCCCOCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736462518 599567566 /nfs/dbraw/zinc/56/75/66/599567566.db2.gz DIOLXDFGXWWUBF-UHFFFAOYSA-N -1 3 380.452 3.157 20 0 GGADHM CCCCN(CCOC)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736456495 599568814 /nfs/dbraw/zinc/56/88/14/599568814.db2.gz IXDPIDPKTFVOMJ-UHFFFAOYSA-N -1 3 394.479 3.499 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@@H](O)c1ccccc1Cl ZINC000822204753 599569222 /nfs/dbraw/zinc/56/92/22/599569222.db2.gz ZYCRSPNXMUFMSO-MRXNPFEDSA-N -1 3 398.829 3.083 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@@H](O)c1ccccc1Cl ZINC000822204753 599569225 /nfs/dbraw/zinc/56/92/25/599569225.db2.gz ZYCRSPNXMUFMSO-MRXNPFEDSA-N -1 3 398.829 3.083 20 0 GGADHM CC(C)N(Cc1nnc(-c2cccc(F)c2)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820121649 599569558 /nfs/dbraw/zinc/56/95/58/599569558.db2.gz TVOJJEMYNIEWSK-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM O=C(NCCc1cscn1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738088452 599570665 /nfs/dbraw/zinc/57/06/65/599570665.db2.gz OGQRSOLPXKAVOX-UHFFFAOYSA-N -1 3 391.460 3.039 20 0 GGADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1c(F)cccc1F ZINC000821230161 599571571 /nfs/dbraw/zinc/57/15/71/599571571.db2.gz DFAKHXCUJFWYNA-UHFFFAOYSA-N -1 3 397.389 3.217 20 0 GGADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1c(F)cccc1F ZINC000821230161 599571573 /nfs/dbraw/zinc/57/15/73/599571573.db2.gz DFAKHXCUJFWYNA-UHFFFAOYSA-N -1 3 397.389 3.217 20 0 GGADHM Cc1nccn1CCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000822478928 599584417 /nfs/dbraw/zinc/58/44/17/599584417.db2.gz WACAWDCTPOUEHN-UHFFFAOYSA-N -1 3 384.394 3.090 20 0 GGADHM CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000736369182 599598230 /nfs/dbraw/zinc/59/82/30/599598230.db2.gz GMYQCDFHXUGGIM-TVQRCGJNSA-N -1 3 391.888 3.045 20 0 GGADHM CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000736369182 599598232 /nfs/dbraw/zinc/59/82/32/599598232.db2.gz GMYQCDFHXUGGIM-TVQRCGJNSA-N -1 3 391.888 3.045 20 0 GGADHM Cc1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1OC1CCOCC1 ZINC000737273468 599601043 /nfs/dbraw/zinc/60/10/43/599601043.db2.gz BRZWTNOHSYWXNX-UHFFFAOYSA-N -1 3 394.435 3.377 20 0 GGADHM Cc1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCOCC1 ZINC000737273468 599601045 /nfs/dbraw/zinc/60/10/45/599601045.db2.gz BRZWTNOHSYWXNX-UHFFFAOYSA-N -1 3 394.435 3.377 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738116925 599601539 /nfs/dbraw/zinc/60/15/39/599601539.db2.gz MHMCVQXROUKFLJ-HKUYNNGSSA-N -1 3 376.464 3.077 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738116925 599601541 /nfs/dbraw/zinc/60/15/41/599601541.db2.gz MHMCVQXROUKFLJ-HKUYNNGSSA-N -1 3 376.464 3.077 20 0 GGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737421165 599601561 /nfs/dbraw/zinc/60/15/61/599601561.db2.gz LCDMKHPUAQUBDS-YJBOKZPZSA-N -1 3 376.464 3.263 20 0 GGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737421165 599601563 /nfs/dbraw/zinc/60/15/63/599601563.db2.gz LCDMKHPUAQUBDS-YJBOKZPZSA-N -1 3 376.464 3.263 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738099295 599603160 /nfs/dbraw/zinc/60/31/60/599603160.db2.gz GEDBXTHQGAZGEA-DNVCBOLYSA-N -1 3 394.454 3.216 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738099295 599603161 /nfs/dbraw/zinc/60/31/61/599603161.db2.gz GEDBXTHQGAZGEA-DNVCBOLYSA-N -1 3 394.454 3.216 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738099297 599603211 /nfs/dbraw/zinc/60/32/11/599603211.db2.gz GEDBXTHQGAZGEA-KXBFYZLASA-N -1 3 394.454 3.216 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738099297 599603213 /nfs/dbraw/zinc/60/32/13/599603213.db2.gz GEDBXTHQGAZGEA-KXBFYZLASA-N -1 3 394.454 3.216 20 0 GGADHM CCc1ccc([C@@H](C)CC(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736686680 599605662 /nfs/dbraw/zinc/60/56/62/599605662.db2.gz KOVGYSFCFZOTOB-AWEZNQCLSA-N -1 3 393.447 3.105 20 0 GGADHM CCc1ccc([C@@H](C)CC(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736686680 599605664 /nfs/dbraw/zinc/60/56/64/599605664.db2.gz KOVGYSFCFZOTOB-AWEZNQCLSA-N -1 3 393.447 3.105 20 0 GGADHM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](C)c2ccsc2)c1-c1nnn[n-]1 ZINC000737503247 599609396 /nfs/dbraw/zinc/60/93/96/599609396.db2.gz FLQHRQAWQOKOFG-LBPRGKRZSA-N -1 3 394.460 3.269 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737536596 599610752 /nfs/dbraw/zinc/61/07/52/599610752.db2.gz GYGAKXXZELTEIY-LLVKDONJSA-N -1 3 399.455 3.011 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737536596 599610753 /nfs/dbraw/zinc/61/07/53/599610753.db2.gz GYGAKXXZELTEIY-LLVKDONJSA-N -1 3 399.455 3.011 20 0 GGADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1nccs1 ZINC000736364496 599614819 /nfs/dbraw/zinc/61/48/19/599614819.db2.gz SHNRZDWOMQXDHI-HNNXBMFYSA-N -1 3 383.481 3.149 20 0 GGADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1nccs1 ZINC000736364496 599614820 /nfs/dbraw/zinc/61/48/20/599614820.db2.gz SHNRZDWOMQXDHI-HNNXBMFYSA-N -1 3 383.481 3.149 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000822216165 599616241 /nfs/dbraw/zinc/61/62/41/599616241.db2.gz HEHUFGLLRFARLA-UHFFFAOYSA-N -1 3 396.495 3.077 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000822216165 599616244 /nfs/dbraw/zinc/61/62/44/599616244.db2.gz HEHUFGLLRFARLA-UHFFFAOYSA-N -1 3 396.495 3.077 20 0 GGADHM C[C@H](OC(=O)c1cc2c([nH]c1=O)CCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000736160059 599617795 /nfs/dbraw/zinc/61/77/95/599617795.db2.gz PHTMDLMCSQULFC-LBPRGKRZSA-N -1 3 379.420 3.154 20 0 GGADHM C[C@H](OC(=O)c1cc2c([nH]c1=O)CCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000736160059 599617797 /nfs/dbraw/zinc/61/77/97/599617797.db2.gz PHTMDLMCSQULFC-LBPRGKRZSA-N -1 3 379.420 3.154 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000823431846 599623656 /nfs/dbraw/zinc/62/36/56/599623656.db2.gz ZMAOOBBPMGZXAU-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000823431846 599623657 /nfs/dbraw/zinc/62/36/57/599623657.db2.gz ZMAOOBBPMGZXAU-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H]1CCSc2ccccc21 ZINC000820287419 599624511 /nfs/dbraw/zinc/62/45/11/599624511.db2.gz MGPXHSRDULNGJU-DYVFJYSZSA-N -1 3 396.472 3.457 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H]1CCSc2ccccc21 ZINC000820287419 599624512 /nfs/dbraw/zinc/62/45/12/599624512.db2.gz MGPXHSRDULNGJU-DYVFJYSZSA-N -1 3 396.472 3.457 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cnc2ccsc2c1 ZINC000820292331 599624543 /nfs/dbraw/zinc/62/45/43/599624543.db2.gz CUYXMRRDVSLCQN-NSHDSACASA-N -1 3 381.417 3.101 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cnc2ccsc2c1 ZINC000820292331 599624544 /nfs/dbraw/zinc/62/45/44/599624544.db2.gz CUYXMRRDVSLCQN-NSHDSACASA-N -1 3 381.417 3.101 20 0 GGADHM CO[C@H](C)CCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821673421 599626842 /nfs/dbraw/zinc/62/68/42/599626842.db2.gz ARVDHEYNFVLBRQ-CQSZACIVSA-N -1 3 382.420 3.028 20 0 GGADHM CO[C@H](C)CCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821673421 599626843 /nfs/dbraw/zinc/62/68/43/599626843.db2.gz ARVDHEYNFVLBRQ-CQSZACIVSA-N -1 3 382.420 3.028 20 0 GGADHM COc1cccc([C@H](C)OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859686 599627272 /nfs/dbraw/zinc/62/72/72/599627272.db2.gz RRXHYCJUDQVJAR-ZDUSSCGKSA-N -1 3 384.461 3.413 20 0 GGADHM COc1cccc([C@H](C)OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859686 599627273 /nfs/dbraw/zinc/62/72/73/599627273.db2.gz RRXHYCJUDQVJAR-ZDUSSCGKSA-N -1 3 384.461 3.413 20 0 GGADHM COc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC000821839471 599627293 /nfs/dbraw/zinc/62/72/93/599627293.db2.gz VKGBIAUNHSZLIZ-ZDUSSCGKSA-N -1 3 390.399 3.401 20 0 GGADHM COc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC000821839471 599627294 /nfs/dbraw/zinc/62/72/94/599627294.db2.gz VKGBIAUNHSZLIZ-ZDUSSCGKSA-N -1 3 390.399 3.401 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccc(OC(F)(F)F)cc1 ZINC000822934697 599628231 /nfs/dbraw/zinc/62/82/31/599628231.db2.gz BZHMDGAWNGCLPS-BJMVGYQFSA-N -1 3 376.294 3.384 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccc(OC(F)(F)F)cc1 ZINC000822934697 599628232 /nfs/dbraw/zinc/62/82/32/599628232.db2.gz BZHMDGAWNGCLPS-BJMVGYQFSA-N -1 3 376.294 3.384 20 0 GGADHM CC(C)n1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)n1 ZINC000820214498 599628403 /nfs/dbraw/zinc/62/84/03/599628403.db2.gz FQWRECIOXZXQFB-UHFFFAOYSA-N -1 3 385.497 3.156 20 0 GGADHM CC(C)n1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)n1 ZINC000820214498 599628404 /nfs/dbraw/zinc/62/84/04/599628404.db2.gz FQWRECIOXZXQFB-UHFFFAOYSA-N -1 3 385.497 3.156 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000821755291 599630798 /nfs/dbraw/zinc/63/07/98/599630798.db2.gz DECVSUPCPYXGJN-VQIMIIECSA-N -1 3 393.447 3.290 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000821755291 599630799 /nfs/dbraw/zinc/63/07/99/599630799.db2.gz DECVSUPCPYXGJN-VQIMIIECSA-N -1 3 393.447 3.290 20 0 GGADHM Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822197899 599632784 /nfs/dbraw/zinc/63/27/84/599632784.db2.gz UCGRQSIAXSHINB-LLVKDONJSA-N -1 3 393.373 3.289 20 0 GGADHM Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822197899 599632785 /nfs/dbraw/zinc/63/27/85/599632785.db2.gz UCGRQSIAXSHINB-LLVKDONJSA-N -1 3 393.373 3.289 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(-n2cccn2)c1 ZINC000823303385 599633406 /nfs/dbraw/zinc/63/34/06/599633406.db2.gz HIWDDEXXQZQESZ-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(-n2cccn2)c1 ZINC000823303385 599633407 /nfs/dbraw/zinc/63/34/07/599633407.db2.gz HIWDDEXXQZQESZ-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(CSCc1cccnc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823061127 599633865 /nfs/dbraw/zinc/63/38/65/599633865.db2.gz XDIAJMYHSWGLON-UHFFFAOYSA-N -1 3 394.382 3.152 20 0 GGADHM O=C(CSCc1cccnc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823061127 599633866 /nfs/dbraw/zinc/63/38/66/599633866.db2.gz XDIAJMYHSWGLON-UHFFFAOYSA-N -1 3 394.382 3.152 20 0 GGADHM CC(C)(NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)cc1 ZINC000819991269 599637261 /nfs/dbraw/zinc/63/72/61/599637261.db2.gz DFGQYPHPJJPZLH-UHFFFAOYSA-N -1 3 379.399 3.081 20 0 GGADHM CC(C)(NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)cc1 ZINC000819991269 599637262 /nfs/dbraw/zinc/63/72/62/599637262.db2.gz DFGQYPHPJJPZLH-UHFFFAOYSA-N -1 3 379.399 3.081 20 0 GGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668959 599641296 /nfs/dbraw/zinc/64/12/96/599641296.db2.gz XQUROACAOUVIRG-UGSOOPFHSA-N -1 3 380.427 3.027 20 0 GGADHM Cc1oc(NC(=O)CN(C)CC(C)(C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822227589 599641599 /nfs/dbraw/zinc/64/15/99/599641599.db2.gz OJGFGUWYIXCHKS-UHFFFAOYSA-N -1 3 396.495 3.233 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2F)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668496 599642351 /nfs/dbraw/zinc/64/23/51/599642351.db2.gz TZNKMUXSOFQJRT-FZKQIMNGSA-N -1 3 380.427 3.027 20 0 GGADHM CC[C@@](C)(NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1nc(C)cs1 ZINC000820853303 599645156 /nfs/dbraw/zinc/64/51/56/599645156.db2.gz LCMJLCKQTPMQAT-GOSISDBHSA-N -1 3 396.480 3.097 20 0 GGADHM CC[C@@](C)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1nc(C)cs1 ZINC000820853303 599645157 /nfs/dbraw/zinc/64/51/57/599645157.db2.gz LCMJLCKQTPMQAT-GOSISDBHSA-N -1 3 396.480 3.097 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H](C)c1nc(-c2ccccc2)no1 ZINC000822505331 599646733 /nfs/dbraw/zinc/64/67/33/599646733.db2.gz JAUNKRAYKVSGBU-GFCCVEGCSA-N -1 3 399.418 3.093 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H](C)c1nc(-c2ccccc2)no1 ZINC000822505331 599646734 /nfs/dbraw/zinc/64/67/34/599646734.db2.gz JAUNKRAYKVSGBU-GFCCVEGCSA-N -1 3 399.418 3.093 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1(C)C ZINC000820005155 599649957 /nfs/dbraw/zinc/64/99/57/599649957.db2.gz KVAZCGUEVMFGSO-GDBMZVCRSA-N -1 3 394.435 3.198 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1(C)C ZINC000820005155 599649958 /nfs/dbraw/zinc/64/99/58/599649958.db2.gz KVAZCGUEVMFGSO-GDBMZVCRSA-N -1 3 394.435 3.198 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823337655 599649963 /nfs/dbraw/zinc/64/99/63/599649963.db2.gz PUKUXJUGQUHVRU-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823337655 599649964 /nfs/dbraw/zinc/64/99/64/599649964.db2.gz PUKUXJUGQUHVRU-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1(C)C ZINC000820005910 599650065 /nfs/dbraw/zinc/65/00/65/599650065.db2.gz ZASDAFNBOIBLSG-GDBMZVCRSA-N -1 3 394.435 3.198 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1(C)C ZINC000820005910 599650066 /nfs/dbraw/zinc/65/00/66/599650066.db2.gz ZASDAFNBOIBLSG-GDBMZVCRSA-N -1 3 394.435 3.198 20 0 GGADHM CO[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000821677290 599654639 /nfs/dbraw/zinc/65/46/39/599654639.db2.gz SWMVWFUNRLNOHM-SFHVURJKSA-N -1 3 379.464 3.325 20 0 GGADHM CO[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000821677290 599654640 /nfs/dbraw/zinc/65/46/40/599654640.db2.gz SWMVWFUNRLNOHM-SFHVURJKSA-N -1 3 379.464 3.325 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCN(CC2CC2)c2ccccc21 ZINC000822930394 599656352 /nfs/dbraw/zinc/65/63/52/599656352.db2.gz ZMHADNIKXQINBR-VAWYXSNFSA-N -1 3 386.459 3.143 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCN(CC2CC2)c2ccccc21 ZINC000822930394 599656353 /nfs/dbraw/zinc/65/63/53/599656353.db2.gz ZMHADNIKXQINBR-VAWYXSNFSA-N -1 3 386.459 3.143 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820901314 599661556 /nfs/dbraw/zinc/66/15/56/599661556.db2.gz AWMLPTKSWKKWQT-HIFRSBDPSA-N -1 3 385.468 3.343 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820901314 599661557 /nfs/dbraw/zinc/66/15/57/599661557.db2.gz AWMLPTKSWKKWQT-HIFRSBDPSA-N -1 3 385.468 3.343 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820903178 599661583 /nfs/dbraw/zinc/66/15/83/599661583.db2.gz RQPUCKWHOKNQIF-DZGCQCFKSA-N -1 3 385.468 3.343 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820903178 599661584 /nfs/dbraw/zinc/66/15/84/599661584.db2.gz RQPUCKWHOKNQIF-DZGCQCFKSA-N -1 3 385.468 3.343 20 0 GGADHM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000822486860 599664118 /nfs/dbraw/zinc/66/41/18/599664118.db2.gz UGBWQXJHHHOGNW-HIFRSBDPSA-N -1 3 380.452 3.230 20 0 GGADHM CCCCCC[C@@H](C)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821048705 599664974 /nfs/dbraw/zinc/66/49/74/599664974.db2.gz GCPAHOOOKWWXDU-PBHICJAKSA-N -1 3 385.468 3.122 20 0 GGADHM CCCCCC[C@@H](C)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821048705 599664975 /nfs/dbraw/zinc/66/49/75/599664975.db2.gz GCPAHOOOKWWXDU-PBHICJAKSA-N -1 3 385.468 3.122 20 0 GGADHM CCCCCC[C@@H](C)C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821048706 599665168 /nfs/dbraw/zinc/66/51/68/599665168.db2.gz GCPAHOOOKWWXDU-RHSMWYFYSA-N -1 3 385.468 3.122 20 0 GGADHM CCCCCC[C@@H](C)C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821048706 599665169 /nfs/dbraw/zinc/66/51/69/599665169.db2.gz GCPAHOOOKWWXDU-RHSMWYFYSA-N -1 3 385.468 3.122 20 0 GGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822223654 599666697 /nfs/dbraw/zinc/66/66/97/599666697.db2.gz GADWFHXWLVJRNL-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822223654 599666698 /nfs/dbraw/zinc/66/66/98/599666698.db2.gz GADWFHXWLVJRNL-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)s1 ZINC000821347203 599666995 /nfs/dbraw/zinc/66/69/95/599666995.db2.gz STMZLAJOXODAPX-NSHDSACASA-N -1 3 398.448 3.030 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)s1 ZINC000821347203 599666996 /nfs/dbraw/zinc/66/69/96/599666996.db2.gz STMZLAJOXODAPX-NSHDSACASA-N -1 3 398.448 3.030 20 0 GGADHM Cn1c(C(=O)OCCOc2ccccc2-c2nnn[n-]2)ccc1-c1ccccc1 ZINC000822596840 599667560 /nfs/dbraw/zinc/66/75/60/599667560.db2.gz WFPIVVRWOFHECG-UHFFFAOYSA-N -1 3 389.415 3.108 20 0 GGADHM Cn1c(C(=O)OCCOc2ccccc2-c2nn[n-]n2)ccc1-c1ccccc1 ZINC000822596840 599667561 /nfs/dbraw/zinc/66/75/61/599667561.db2.gz WFPIVVRWOFHECG-UHFFFAOYSA-N -1 3 389.415 3.108 20 0 GGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSc2ccccc21 ZINC000823400394 599667709 /nfs/dbraw/zinc/66/77/09/599667709.db2.gz CFUAYJKSVAMNQG-QGZVFWFLSA-N -1 3 396.472 3.458 20 0 GGADHM CC(C)[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820486372 599668890 /nfs/dbraw/zinc/66/88/90/599668890.db2.gz ARGKBUWDSJBDAO-RDTXWAMCSA-N -1 3 393.447 3.177 20 0 GGADHM CC(C)[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820486372 599668891 /nfs/dbraw/zinc/66/88/91/599668891.db2.gz ARGKBUWDSJBDAO-RDTXWAMCSA-N -1 3 393.447 3.177 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCCOc2ccccc2-c2nnn[n-]2)s1 ZINC000819965669 599670991 /nfs/dbraw/zinc/67/09/91/599670991.db2.gz MGLLARGNMWSZDX-CMDGGOBGSA-N -1 3 399.476 3.256 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCCOc2ccccc2-c2nn[n-]n2)s1 ZINC000819965669 599670992 /nfs/dbraw/zinc/67/09/92/599670992.db2.gz MGLLARGNMWSZDX-CMDGGOBGSA-N -1 3 399.476 3.256 20 0 GGADHM Cc1ccccc1CC(C)(C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822356172 599674292 /nfs/dbraw/zinc/67/42/92/599674292.db2.gz LNXGSTKXSVMHJK-UHFFFAOYSA-N -1 3 382.443 3.135 20 0 GGADHM Cc1ccccc1CC(C)(C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822356172 599674293 /nfs/dbraw/zinc/67/42/93/599674293.db2.gz LNXGSTKXSVMHJK-UHFFFAOYSA-N -1 3 382.443 3.135 20 0 GGADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820633860 599676331 /nfs/dbraw/zinc/67/63/31/599676331.db2.gz FACOFQXPDMLTDR-KNQAVFIVSA-N -1 3 388.475 3.271 20 0 GGADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820633860 599676332 /nfs/dbraw/zinc/67/63/32/599676332.db2.gz FACOFQXPDMLTDR-KNQAVFIVSA-N -1 3 388.475 3.271 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820249704 599689449 /nfs/dbraw/zinc/68/94/49/599689449.db2.gz YQYFUZQHLAUHKK-GFCCVEGCSA-N -1 3 383.477 3.461 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820249704 599689450 /nfs/dbraw/zinc/68/94/50/599689450.db2.gz YQYFUZQHLAUHKK-GFCCVEGCSA-N -1 3 383.477 3.461 20 0 GGADHM Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1Cl ZINC000822328732 599690062 /nfs/dbraw/zinc/69/00/62/599690062.db2.gz RTCQIKQXIYLSDD-UHFFFAOYSA-N -1 3 384.248 3.283 20 0 GGADHM Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1Cl ZINC000822328732 599690063 /nfs/dbraw/zinc/69/00/63/599690063.db2.gz RTCQIKQXIYLSDD-UHFFFAOYSA-N -1 3 384.248 3.283 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000823357697 599692960 /nfs/dbraw/zinc/69/29/60/599692960.db2.gz YYPRIMCXIRNHCJ-IYBDPMFKSA-N -1 3 392.419 3.054 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000823357697 599692961 /nfs/dbraw/zinc/69/29/61/599692961.db2.gz YYPRIMCXIRNHCJ-IYBDPMFKSA-N -1 3 392.419 3.054 20 0 GGADHM CCCn1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000821149379 599693248 /nfs/dbraw/zinc/69/32/48/599693248.db2.gz XQQAZZORGVFWKE-UHFFFAOYSA-N -1 3 380.334 3.136 20 0 GGADHM CCCn1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000821149379 599693249 /nfs/dbraw/zinc/69/32/49/599693249.db2.gz XQQAZZORGVFWKE-UHFFFAOYSA-N -1 3 380.334 3.136 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)c1 ZINC000820379769 599693269 /nfs/dbraw/zinc/69/32/69/599693269.db2.gz GVPMDSPKWDJGAX-GFCCVEGCSA-N -1 3 392.398 3.074 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC000820379769 599693270 /nfs/dbraw/zinc/69/32/70/599693270.db2.gz GVPMDSPKWDJGAX-GFCCVEGCSA-N -1 3 392.398 3.074 20 0 GGADHM Cc1cc2oc(=O)cc(COC(=O)c3ccc(-c4nnn[n-]4)cc3C)c2cc1C ZINC000826273093 607387310 /nfs/dbraw/zinc/38/73/10/607387310.db2.gz PDLJUVNOFMQGNA-UHFFFAOYSA-N -1 3 390.399 3.255 20 0 GGADHM Cc1cc2oc(=O)cc(COC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2cc1C ZINC000826273093 607387312 /nfs/dbraw/zinc/38/73/12/607387312.db2.gz PDLJUVNOFMQGNA-UHFFFAOYSA-N -1 3 390.399 3.255 20 0 GGADHM CCc1[nH]c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000737240024 599704390 /nfs/dbraw/zinc/70/43/90/599704390.db2.gz DYEUQHNZQGNLGE-UHFFFAOYSA-N -1 3 397.519 3.364 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000739626025 599709535 /nfs/dbraw/zinc/70/95/35/599709535.db2.gz RKVVCLHNTAOSDJ-KNQAVFIVSA-N -1 3 392.499 3.294 20 0 GGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000739383134 599711733 /nfs/dbraw/zinc/71/17/33/599711733.db2.gz UEJCYGVFEZXNBI-SFHVURJKSA-N -1 3 377.460 3.048 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1noc(-c2cccc(Cl)c2)n1 ZINC000826252889 607388287 /nfs/dbraw/zinc/38/82/87/607388287.db2.gz XBFOIJBGHLQKKP-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1noc(-c2cccc(Cl)c2)n1 ZINC000826252889 607388289 /nfs/dbraw/zinc/38/82/89/607388289.db2.gz XBFOIJBGHLQKKP-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000184997305 599714885 /nfs/dbraw/zinc/71/48/85/599714885.db2.gz RBTPCUOAFRBZNS-HNNXBMFYSA-N -1 3 390.505 3.101 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000184997687 599714912 /nfs/dbraw/zinc/71/49/12/599714912.db2.gz SQMPFUVXXKSGKG-HNNXBMFYSA-N -1 3 390.505 3.101 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)Nc1ccccc1C(C)C ZINC000826251933 607389646 /nfs/dbraw/zinc/38/96/46/607389646.db2.gz HMKCIHDHFLECRQ-UHFFFAOYSA-N -1 3 379.420 3.094 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)Nc1ccccc1C(C)C ZINC000826251933 607389649 /nfs/dbraw/zinc/38/96/49/607389649.db2.gz HMKCIHDHFLECRQ-UHFFFAOYSA-N -1 3 379.420 3.094 20 0 GGADHM CCCN(C(=O)CCCN(C)C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000737009089 599748324 /nfs/dbraw/zinc/74/83/24/599748324.db2.gz NRKOGCZTMPDXIP-LJQANCHMSA-N -1 3 375.513 3.280 20 0 GGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826316286 607391114 /nfs/dbraw/zinc/39/11/14/607391114.db2.gz JMPWLEHOQHOUFA-HOTGVXAUSA-N -1 3 384.461 3.352 20 0 GGADHM CCOC(=O)Nc1ccc2c(CN[C@@H](C(=O)[O-])c3ccccc3)cc(=O)oc2c1 ZINC000737145945 599758714 /nfs/dbraw/zinc/75/87/14/599758714.db2.gz IIWYCPSXRLCNTK-LJQANCHMSA-N -1 3 396.399 3.277 20 0 GGADHM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000738290583 599778346 /nfs/dbraw/zinc/77/83/46/599778346.db2.gz RFCVLCUHHCGBJV-UHFFFAOYSA-N -1 3 376.888 3.097 20 0 GGADHM O=C(Nc1ccc2scnc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826456275 607393527 /nfs/dbraw/zinc/39/35/27/607393527.db2.gz XEXLYTBRYUYFOE-UHFFFAOYSA-N -1 3 377.433 3.287 20 0 GGADHM O=C(Nc1ccc2scnc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826456275 607393529 /nfs/dbraw/zinc/39/35/29/607393529.db2.gz XEXLYTBRYUYFOE-UHFFFAOYSA-N -1 3 377.433 3.287 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc(Br)c1OC ZINC000390884398 599786879 /nfs/dbraw/zinc/78/68/79/599786879.db2.gz WBMFUBJDNJDJGO-OAHLLOKOSA-N -1 3 380.238 3.382 20 0 GGADHM COC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000737710105 599789008 /nfs/dbraw/zinc/78/90/08/599789008.db2.gz WSCGEVLKAFWVJF-OAHLLOKOSA-N -1 3 378.222 3.151 20 0 GGADHM CC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000736169149 599791135 /nfs/dbraw/zinc/79/11/35/599791135.db2.gz ZSGQNQVVMWAVQS-INIZCTEOSA-N -1 3 377.238 3.323 20 0 GGADHM CC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000736169150 599791158 /nfs/dbraw/zinc/79/11/58/599791158.db2.gz ZSGQNQVVMWAVQS-MRXNPFEDSA-N -1 3 377.238 3.323 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000739761405 599829063 /nfs/dbraw/zinc/82/90/63/599829063.db2.gz UZSOFOWCLLQQCW-FQEVSTJZSA-N -1 3 381.476 3.490 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2)CC1 ZINC000736473732 599835865 /nfs/dbraw/zinc/83/58/65/599835865.db2.gz FKHHUKPDGICITR-UHFFFAOYSA-N -1 3 381.476 3.192 20 0 GGADHM COc1cccc(CN2CCC(NC(=O)c3ccccc3NC(=O)[O-])CC2)c1 ZINC000738098249 599836144 /nfs/dbraw/zinc/83/61/44/599836144.db2.gz ZLKSDZCUGVPHEF-UHFFFAOYSA-N -1 3 383.448 3.180 20 0 GGADHM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(C(C)C)C1CCCC1 ZINC000737651961 599856252 /nfs/dbraw/zinc/85/62/52/599856252.db2.gz ULCKVWHSTZFIEG-UHFFFAOYSA-N -1 3 382.482 3.133 20 0 GGADHM COc1ccc([C@@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])cc1 ZINC000737969889 599860189 /nfs/dbraw/zinc/86/01/89/599860189.db2.gz MDFJVBCWMMNSQM-HXUWFJFHSA-N -1 3 394.427 3.134 20 0 GGADHM COc1ccc([C@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])cc1 ZINC000737974186 599860654 /nfs/dbraw/zinc/86/06/54/599860654.db2.gz TUUUYKOEDQEVLR-HNNXBMFYSA-N -1 3 394.221 3.102 20 0 GGADHM CC1CCC(OC2CCN(C[C@H](O)COc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000565106484 599866880 /nfs/dbraw/zinc/86/68/80/599866880.db2.gz XDMQFDCPTHBIQF-IPCDKGFNSA-N -1 3 391.508 3.184 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1c(F)cccc1-n1cccn1 ZINC000826251689 607402956 /nfs/dbraw/zinc/40/29/56/607402956.db2.gz XSLUEQVIPWSZIT-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1c(F)cccc1-n1cccn1 ZINC000826251689 607402957 /nfs/dbraw/zinc/40/29/57/607402957.db2.gz XSLUEQVIPWSZIT-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM O=C([O-])c1coc(COC(=O)C2CCN(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000740268405 599884194 /nfs/dbraw/zinc/88/41/94/599884194.db2.gz SXWZEYAMTVYJFI-LBPRGKRZSA-N -1 3 398.198 3.381 20 0 GGADHM COc1ccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)coc2c1 ZINC000826212041 607404366 /nfs/dbraw/zinc/40/43/66/607404366.db2.gz DTAOZQHCIAIBAO-UHFFFAOYSA-N -1 3 378.388 3.216 20 0 GGADHM COc1ccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)coc2c1 ZINC000826212041 607404369 /nfs/dbraw/zinc/40/43/69/607404369.db2.gz DTAOZQHCIAIBAO-UHFFFAOYSA-N -1 3 378.388 3.216 20 0 GGADHM Cc1cc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)ccc1C(=O)[O-] ZINC000738437436 599904857 /nfs/dbraw/zinc/90/48/57/599904857.db2.gz GXZIEPNCWJYQJK-UHFFFAOYSA-N -1 3 396.491 3.259 20 0 GGADHM C/C=C/c1ccc(OCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(OC)c1 ZINC000825028579 607405883 /nfs/dbraw/zinc/40/58/83/607405883.db2.gz JHIILOGCZYYSNX-SNAWJCMRSA-N -1 3 394.431 3.339 20 0 GGADHM C/C=C/c1ccc(OCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000825028579 607405885 /nfs/dbraw/zinc/40/58/85/607405885.db2.gz JHIILOGCZYYSNX-SNAWJCMRSA-N -1 3 394.431 3.339 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1-c1nnn[n-]1 ZINC000820170121 607406877 /nfs/dbraw/zinc/40/68/77/607406877.db2.gz REVGDBFDWHNAEJ-UHFFFAOYSA-N -1 3 389.419 3.092 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1-c1nn[n-]n1 ZINC000820170121 607406879 /nfs/dbraw/zinc/40/68/79/607406879.db2.gz REVGDBFDWHNAEJ-UHFFFAOYSA-N -1 3 389.419 3.092 20 0 GGADHM O=C([O-])Nc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000740029613 599931902 /nfs/dbraw/zinc/93/19/02/599931902.db2.gz CIKAXTVNRRTODY-UHFFFAOYSA-N -1 3 396.491 3.109 20 0 GGADHM O=C([O-])[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)Cc1cccc(F)c1 ZINC000739404635 599943016 /nfs/dbraw/zinc/94/30/16/599943016.db2.gz YOQGEGNEIDHXHY-IBGZPJMESA-N -1 3 384.451 3.095 20 0 GGADHM O=C(Nc1ccc(Sc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823357525 607408201 /nfs/dbraw/zinc/40/82/01/607408201.db2.gz WWBGUVWBSDVSCE-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM O=C(Nc1ccc(Sc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823357525 607408203 /nfs/dbraw/zinc/40/82/03/607408203.db2.gz WWBGUVWBSDVSCE-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM C[C@H](CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736576594 599950050 /nfs/dbraw/zinc/95/00/50/599950050.db2.gz DZZKVBDCTQMYEA-QGZVFWFLSA-N -1 3 380.488 3.420 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1c[nH]c2ccccc12 ZINC000821741502 607408604 /nfs/dbraw/zinc/40/86/04/607408604.db2.gz MUIUNAIAUNOBHW-UHFFFAOYSA-N -1 3 377.404 3.033 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1c[nH]c2ccccc12 ZINC000821741502 607408606 /nfs/dbraw/zinc/40/86/06/607408606.db2.gz MUIUNAIAUNOBHW-UHFFFAOYSA-N -1 3 377.404 3.033 20 0 GGADHM Cc1ccc([C@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570308 599951784 /nfs/dbraw/zinc/95/17/84/599951784.db2.gz YYFNBSKFUDFDEY-YWZLYKJASA-N -1 3 386.517 3.447 20 0 GGADHM O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000739867455 599951861 /nfs/dbraw/zinc/95/18/61/599951861.db2.gz GXTIGNYJZLLVRD-SFHVURJKSA-N -1 3 399.516 3.250 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570306 599951847 /nfs/dbraw/zinc/95/18/47/599951847.db2.gz YYFNBSKFUDFDEY-MGPUTAFESA-N -1 3 386.517 3.447 20 0 GGADHM CC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1CCOC ZINC000736943354 599960541 /nfs/dbraw/zinc/96/05/41/599960541.db2.gz LFMYNUGEVPKYTA-ZDUSSCGKSA-N -1 3 380.485 3.281 20 0 GGADHM CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284360 599975688 /nfs/dbraw/zinc/97/56/88/599975688.db2.gz HXVRTKXFRHVVNW-RDJZCZTQSA-N -1 3 384.480 3.116 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000826254514 607410028 /nfs/dbraw/zinc/41/00/28/607410028.db2.gz PEFPMZSJEHSEQY-LJQANCHMSA-N -1 3 394.431 3.090 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000826254514 607410030 /nfs/dbraw/zinc/41/00/30/607410030.db2.gz PEFPMZSJEHSEQY-LJQANCHMSA-N -1 3 394.431 3.090 20 0 GGADHM Cc1cccc(OCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826300421 607415943 /nfs/dbraw/zinc/41/59/43/607415943.db2.gz URAXREBRHTWZSI-UHFFFAOYSA-N -1 3 377.448 3.058 20 0 GGADHM Cc1cccc(OCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826300421 607415945 /nfs/dbraw/zinc/41/59/45/607415945.db2.gz URAXREBRHTWZSI-UHFFFAOYSA-N -1 3 377.448 3.058 20 0 GGADHM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000737933631 599999814 /nfs/dbraw/zinc/99/98/14/599999814.db2.gz RNDYMQHMODOHKM-UHFFFAOYSA-N -1 3 397.475 3.176 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCOCCc1ccccc1 ZINC000826253705 607411593 /nfs/dbraw/zinc/41/15/93/607411593.db2.gz ZOZKUYJYQXGZOY-UHFFFAOYSA-N -1 3 380.448 3.258 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCOCCc1ccccc1 ZINC000826253705 607411596 /nfs/dbraw/zinc/41/15/96/607411596.db2.gz ZOZKUYJYQXGZOY-UHFFFAOYSA-N -1 3 380.448 3.258 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000740204853 600011640 /nfs/dbraw/zinc/01/16/40/600011640.db2.gz WOIZNVUJRGGWRI-FQEVSTJZSA-N -1 3 379.460 3.247 20 0 GGADHM COC[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000826152443 607412507 /nfs/dbraw/zinc/41/25/07/607412507.db2.gz ZDTKZODRCUGMFA-LJQANCHMSA-N -1 3 394.431 3.028 20 0 GGADHM COC[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000826152443 607412508 /nfs/dbraw/zinc/41/25/08/607412508.db2.gz ZDTKZODRCUGMFA-LJQANCHMSA-N -1 3 394.431 3.028 20 0 GGADHM COC[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000826152933 607412630 /nfs/dbraw/zinc/41/26/30/607412630.db2.gz UOEIWIIDEWAAGQ-IBGZPJMESA-N -1 3 394.431 3.028 20 0 GGADHM COC[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000826152933 607412632 /nfs/dbraw/zinc/41/26/32/607412632.db2.gz UOEIWIIDEWAAGQ-IBGZPJMESA-N -1 3 394.431 3.028 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000740203441 600017503 /nfs/dbraw/zinc/01/75/03/600017503.db2.gz NJPIIUUWTLUJTL-HXUWFJFHSA-N -1 3 379.460 3.075 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722295 600018730 /nfs/dbraw/zinc/01/87/30/600018730.db2.gz BUNXSLXPJYJLCQ-FOIQADDNSA-N -1 3 379.460 3.246 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000821745258 607413763 /nfs/dbraw/zinc/41/37/63/607413763.db2.gz MEPAILOUSPMULZ-UHFFFAOYSA-N -1 3 398.467 3.307 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000821745258 607413764 /nfs/dbraw/zinc/41/37/64/607413764.db2.gz MEPAILOUSPMULZ-UHFFFAOYSA-N -1 3 398.467 3.307 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(Cl)c2ccccc2n1C ZINC000821745498 607413985 /nfs/dbraw/zinc/41/39/85/607413985.db2.gz ZBQISLSHGCOGIY-UHFFFAOYSA-N -1 3 397.822 3.377 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(Cl)c2ccccc2n1C ZINC000821745498 607413986 /nfs/dbraw/zinc/41/39/86/607413986.db2.gz ZBQISLSHGCOGIY-UHFFFAOYSA-N -1 3 397.822 3.377 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1nc(-c2cccs2)oc1C ZINC000821749293 607414054 /nfs/dbraw/zinc/41/40/54/607414054.db2.gz FONKGFIWQSWUNR-UHFFFAOYSA-N -1 3 397.416 3.257 20 0 GGADHM COc1ccc([C@H](NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C(C)C)cc1 ZINC000737975585 600048405 /nfs/dbraw/zinc/04/84/05/600048405.db2.gz ZBZWEDWBQAUTCV-IFMALSPDSA-N -1 3 396.487 3.020 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000739623095 600050141 /nfs/dbraw/zinc/05/01/41/600050141.db2.gz BOOOHSFMSDHJDY-FPOVZHCZSA-N -1 3 398.890 3.419 20 0 GGADHM COc1cccc([C@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N2CCCC2)c1 ZINC000738089908 600054151 /nfs/dbraw/zinc/05/41/51/600054151.db2.gz FHVPMMFFDAAREW-NRFANRHFSA-N -1 3 396.487 3.279 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000237731549 600062437 /nfs/dbraw/zinc/06/24/37/600062437.db2.gz DJTRJXODEWYQAK-UHFFFAOYSA-N -1 3 380.488 3.360 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C[C@H](C)c1ccccc1OC ZINC000821741863 607416938 /nfs/dbraw/zinc/41/69/38/607416938.db2.gz UJCIPTWGGJYRLN-ZDUSSCGKSA-N -1 3 382.420 3.121 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C[C@H](C)c1ccccc1OC ZINC000821741863 607416939 /nfs/dbraw/zinc/41/69/39/607416939.db2.gz UJCIPTWGGJYRLN-ZDUSSCGKSA-N -1 3 382.420 3.121 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)c(Cl)nc1Cl ZINC000821745090 607416958 /nfs/dbraw/zinc/41/69/58/607416958.db2.gz DBMXKGVYPKKICW-UHFFFAOYSA-N -1 3 398.181 3.073 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000740188144 600073791 /nfs/dbraw/zinc/07/37/91/600073791.db2.gz BCXXZCMISRPJHN-GOSISDBHSA-N -1 3 382.435 3.278 20 0 GGADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000738956606 600077639 /nfs/dbraw/zinc/07/76/39/600077639.db2.gz CDUNDUMRGNCFLP-CQSZACIVSA-N -1 3 389.427 3.459 20 0 GGADHM O=C([O-])c1ccoc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739407697 600077754 /nfs/dbraw/zinc/07/77/54/600077754.db2.gz SGZCHVKIHBVJHL-CYBMUJFWSA-N -1 3 375.400 3.151 20 0 GGADHM CC(=O)Nc1cccc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000736169039 600078674 /nfs/dbraw/zinc/07/86/74/600078674.db2.gz XUFHRFWKWRPTOT-SFHVURJKSA-N -1 3 391.265 3.497 20 0 GGADHM C[C@](NCc1ccc2c(c1)OCCO2)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665658 600078881 /nfs/dbraw/zinc/07/88/81/600078881.db2.gz XKGJCRRRODKRGO-GOSISDBHSA-N -1 3 392.249 3.310 20 0 GGADHM COc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000738138432 600084504 /nfs/dbraw/zinc/08/45/04/600084504.db2.gz XSJLLYJGVPLIFA-UHFFFAOYSA-N -1 3 386.423 3.383 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1csc(-c2cccs2)n1 ZINC000826427850 607418444 /nfs/dbraw/zinc/41/84/44/607418444.db2.gz CVYHUSRNHVZEFM-UHFFFAOYSA-N -1 3 394.485 3.471 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1csc(-c2cccs2)n1 ZINC000826427850 607418446 /nfs/dbraw/zinc/41/84/46/607418446.db2.gz CVYHUSRNHVZEFM-UHFFFAOYSA-N -1 3 394.485 3.471 20 0 GGADHM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCCc2ccccc2C1 ZINC000737505717 600094489 /nfs/dbraw/zinc/09/44/89/600094489.db2.gz OMFJPZKJUQIGNW-NRFANRHFSA-N -1 3 391.471 3.170 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](CNc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738736417 600094639 /nfs/dbraw/zinc/09/46/39/600094639.db2.gz LHVPQSSFOHGXFP-JKSUJKDBSA-N -1 3 384.480 3.038 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](CNc3cc(C)ccn3)C2)c(C)c1C(=O)[O-] ZINC000738798950 600096642 /nfs/dbraw/zinc/09/66/42/600096642.db2.gz VWYJCQWGEYAVGE-JKSUJKDBSA-N -1 3 384.480 3.038 20 0 GGADHM O=C([O-])C1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000739468111 600115263 /nfs/dbraw/zinc/11/52/63/600115263.db2.gz FRRMARNXOSINQB-UHFFFAOYSA-N -1 3 391.537 3.043 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](c2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC000737668977 600117323 /nfs/dbraw/zinc/11/73/23/600117323.db2.gz ZHLCSBLKBSBDLX-IBGZPJMESA-N -1 3 384.432 3.097 20 0 GGADHM CC(C)[C@@H](NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736389634 600117629 /nfs/dbraw/zinc/11/76/29/600117629.db2.gz KGJCOOJTWSEDBY-IFMALSPDSA-N -1 3 393.487 3.267 20 0 GGADHM CC(C)[C@@H](NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736389638 600117804 /nfs/dbraw/zinc/11/78/04/600117804.db2.gz KGJCOOJTWSEDBY-RBBKRZOGSA-N -1 3 393.487 3.267 20 0 GGADHM CC(C)[C@H](NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736389640 600117812 /nfs/dbraw/zinc/11/78/12/600117812.db2.gz KGJCOOJTWSEDBY-UNMCSNQZSA-N -1 3 393.487 3.267 20 0 GGADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1cc(C2CC2)[nH]n1 ZINC000736726753 600118579 /nfs/dbraw/zinc/11/85/79/600118579.db2.gz XCQNOHCYZHWWGP-GFCCVEGCSA-N -1 3 380.404 3.377 20 0 GGADHM CC(C)[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000736390961 600119206 /nfs/dbraw/zinc/11/92/06/600119206.db2.gz XXMOUSSAVSGZSZ-FPOVZHCZSA-N -1 3 384.451 3.151 20 0 GGADHM CCOc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1OCC ZINC000825632173 607422181 /nfs/dbraw/zinc/42/21/81/607422181.db2.gz MUDDPDMFIKYEOB-UHFFFAOYSA-N -1 3 393.447 3.083 20 0 GGADHM CCOc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1OCC ZINC000825632173 607422182 /nfs/dbraw/zinc/42/21/82/607422182.db2.gz MUDDPDMFIKYEOB-UHFFFAOYSA-N -1 3 393.447 3.083 20 0 GGADHM CSCCNC(=S)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826229090 607783344 /nfs/dbraw/zinc/78/33/44/607783344.db2.gz OIICTIPTYGETME-UHFFFAOYSA-N -1 3 386.506 3.308 20 0 GGADHM Cc1nc(-c2ccco2)ccc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826322889 607422496 /nfs/dbraw/zinc/42/24/96/607422496.db2.gz GAAKDSGTUVNABR-UHFFFAOYSA-N -1 3 386.415 3.249 20 0 GGADHM Cc1nc(-c2ccco2)ccc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826322889 607422497 /nfs/dbraw/zinc/42/24/97/607422497.db2.gz GAAKDSGTUVNABR-UHFFFAOYSA-N -1 3 386.415 3.249 20 0 GGADHM CSCCNC(=S)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826229090 607783345 /nfs/dbraw/zinc/78/33/45/607783345.db2.gz OIICTIPTYGETME-UHFFFAOYSA-N -1 3 386.506 3.308 20 0 GGADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000821134460 607422694 /nfs/dbraw/zinc/42/26/94/607422694.db2.gz VWRPMCKQFKKILV-UHFFFAOYSA-N -1 3 396.426 3.385 20 0 GGADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000821134460 607422695 /nfs/dbraw/zinc/42/26/95/607422695.db2.gz VWRPMCKQFKKILV-UHFFFAOYSA-N -1 3 396.426 3.385 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826428026 607422766 /nfs/dbraw/zinc/42/27/66/607422766.db2.gz LTABBIPLDOTLQI-OCCSQVGLSA-N -1 3 379.386 3.341 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826428026 607422767 /nfs/dbraw/zinc/42/27/67/607422767.db2.gz LTABBIPLDOTLQI-OCCSQVGLSA-N -1 3 379.386 3.341 20 0 GGADHM CS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000821955992 607423218 /nfs/dbraw/zinc/42/32/18/607423218.db2.gz DUFIMIBMQLDOIT-LLVKDONJSA-N -1 3 398.439 3.218 20 0 GGADHM CS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000821955992 607423220 /nfs/dbraw/zinc/42/32/20/607423220.db2.gz DUFIMIBMQLDOIT-LLVKDONJSA-N -1 3 398.439 3.218 20 0 GGADHM Cc1ccc(SCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826292866 607424074 /nfs/dbraw/zinc/42/40/74/607424074.db2.gz PJBLLMRHCUBRJF-UHFFFAOYSA-N -1 3 379.489 3.381 20 0 GGADHM Cc1ccc(SCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826292866 607424075 /nfs/dbraw/zinc/42/40/75/607424075.db2.gz PJBLLMRHCUBRJF-UHFFFAOYSA-N -1 3 379.489 3.381 20 0 GGADHM Cc1ccc(SCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826293016 607424215 /nfs/dbraw/zinc/42/42/15/607424215.db2.gz XDBGHKQBGSOOHQ-UHFFFAOYSA-N -1 3 379.489 3.463 20 0 GGADHM Cc1ccc(SCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826293016 607424217 /nfs/dbraw/zinc/42/42/17/607424217.db2.gz XDBGHKQBGSOOHQ-UHFFFAOYSA-N -1 3 379.489 3.463 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2F)cc1-c1nnn[n-]1 ZINC000820164864 607424420 /nfs/dbraw/zinc/42/44/20/607424420.db2.gz MQFDNWVLUWLHRT-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2F)cc1-c1nn[n-]n1 ZINC000820164864 607424422 /nfs/dbraw/zinc/42/44/22/607424422.db2.gz MQFDNWVLUWLHRT-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM O=C([O-])[C@@H]1CCCN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000164534724 600141219 /nfs/dbraw/zinc/14/12/19/600141219.db2.gz SNLPSOWTDASDRG-OAQYLSRUSA-N -1 3 380.488 3.055 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000822092395 607424945 /nfs/dbraw/zinc/42/49/45/607424945.db2.gz XOAFAEPHLNQQHH-CYBMUJFWSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000822092395 607424947 /nfs/dbraw/zinc/42/49/47/607424947.db2.gz XOAFAEPHLNQQHH-CYBMUJFWSA-N -1 3 388.435 3.244 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826211536 607425204 /nfs/dbraw/zinc/42/52/04/607425204.db2.gz IVLBGQKCJSETOV-CYBMUJFWSA-N -1 3 395.488 3.161 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826211536 607425206 /nfs/dbraw/zinc/42/52/06/607425206.db2.gz IVLBGQKCJSETOV-CYBMUJFWSA-N -1 3 395.488 3.161 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554811 600161336 /nfs/dbraw/zinc/16/13/36/600161336.db2.gz VAFJNBBTWUCTEC-PZJWPPBQSA-N -1 3 398.478 3.331 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826402860 607426022 /nfs/dbraw/zinc/42/60/22/607426022.db2.gz DNSYODJJJDIJPA-CMDGGOBGSA-N -1 3 382.427 3.234 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826402860 607426023 /nfs/dbraw/zinc/42/60/23/607426023.db2.gz DNSYODJJJDIJPA-CMDGGOBGSA-N -1 3 382.427 3.234 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826402861 607426130 /nfs/dbraw/zinc/42/61/30/607426130.db2.gz DNSYODJJJDIJPA-HJWRWDBZSA-N -1 3 382.427 3.234 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826402861 607426131 /nfs/dbraw/zinc/42/61/31/607426131.db2.gz DNSYODJJJDIJPA-HJWRWDBZSA-N -1 3 382.427 3.234 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000737368073 600177173 /nfs/dbraw/zinc/17/71/73/600177173.db2.gz VPYYKVIKUYWFSU-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737993909 600177518 /nfs/dbraw/zinc/17/75/18/600177518.db2.gz BDSRKRNIEBVOHQ-QGZVFWFLSA-N -1 3 385.464 3.055 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824119511 607421621 /nfs/dbraw/zinc/42/16/21/607421621.db2.gz KAJJTRKHPDHOCW-UHFFFAOYSA-N -1 3 377.448 3.463 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824119511 607421623 /nfs/dbraw/zinc/42/16/23/607421623.db2.gz KAJJTRKHPDHOCW-UHFFFAOYSA-N -1 3 377.448 3.463 20 0 GGADHM CSCCNC(=S)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826229174 607783523 /nfs/dbraw/zinc/78/35/23/607783523.db2.gz SHTKIXLOKNSYQA-UHFFFAOYSA-N -1 3 384.534 3.111 20 0 GGADHM CSCCNC(=S)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826229174 607783524 /nfs/dbraw/zinc/78/35/24/607783524.db2.gz SHTKIXLOKNSYQA-UHFFFAOYSA-N -1 3 384.534 3.111 20 0 GGADHM CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313531 600193473 /nfs/dbraw/zinc/19/34/73/600193473.db2.gz KTWBRBYHQBJMPX-ICSRJNTNSA-N -1 3 384.451 3.322 20 0 GGADHM Cc1cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)ccc1C(=O)[O-] ZINC000237798824 600198403 /nfs/dbraw/zinc/19/84/03/600198403.db2.gz ZMPBKRXGDXTRNW-UHFFFAOYSA-N -1 3 381.476 3.234 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2cccnc2)cc1-c1nnn[n-]1 ZINC000820165952 607427412 /nfs/dbraw/zinc/42/74/12/607427412.db2.gz SSMJPSIQOTWFDS-CYBMUJFWSA-N -1 3 381.440 3.274 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2cccnc2)cc1-c1nn[n-]n1 ZINC000820165952 607427413 /nfs/dbraw/zinc/42/74/13/607427413.db2.gz SSMJPSIQOTWFDS-CYBMUJFWSA-N -1 3 381.440 3.274 20 0 GGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000824193073 607428115 /nfs/dbraw/zinc/42/81/15/607428115.db2.gz ROFAJYFVQTUCJT-HNNXBMFYSA-N -1 3 390.369 3.408 20 0 GGADHM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000824193073 607428116 /nfs/dbraw/zinc/42/81/16/607428116.db2.gz ROFAJYFVQTUCJT-HNNXBMFYSA-N -1 3 390.369 3.408 20 0 GGADHM CN(C)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000737355988 600208550 /nfs/dbraw/zinc/20/85/50/600208550.db2.gz HURGPUIURPRCQL-INIZCTEOSA-N -1 3 380.366 3.323 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1-c1nnn[n-]1 ZINC000820164139 607428977 /nfs/dbraw/zinc/42/89/77/607428977.db2.gz FDBYCPHRQYWOLF-KRWDZBQOSA-N -1 3 393.451 3.418 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1-c1nn[n-]n1 ZINC000820164139 607428979 /nfs/dbraw/zinc/42/89/79/607428979.db2.gz FDBYCPHRQYWOLF-KRWDZBQOSA-N -1 3 393.451 3.418 20 0 GGADHM CN(Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737486629 600216168 /nfs/dbraw/zinc/21/61/68/600216168.db2.gz DQDYYWDYZBSFPX-HXUWFJFHSA-N -1 3 378.428 3.467 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC000820164801 607429115 /nfs/dbraw/zinc/42/91/15/607429115.db2.gz LRQSNKUJMUIHBX-MRXNPFEDSA-N -1 3 381.440 3.181 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC000820164801 607429116 /nfs/dbraw/zinc/42/91/16/607429116.db2.gz LRQSNKUJMUIHBX-MRXNPFEDSA-N -1 3 381.440 3.181 20 0 GGADHM O=C(NCc1cccc(-c2ccccn2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826442380 607429400 /nfs/dbraw/zinc/42/94/00/607429400.db2.gz SSHIKUHAXOIDJE-UHFFFAOYSA-N -1 3 392.369 3.137 20 0 GGADHM O=C(NCc1cccc(-c2ccccn2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826442380 607429401 /nfs/dbraw/zinc/42/94/01/607429401.db2.gz SSHIKUHAXOIDJE-UHFFFAOYSA-N -1 3 392.369 3.137 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000736466438 600220454 /nfs/dbraw/zinc/22/04/54/600220454.db2.gz WQEUJTXMIINYSB-IBGZPJMESA-N -1 3 378.469 3.278 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)COc2ccccc2)cc1-c1nnn[n-]1 ZINC000820294075 607429801 /nfs/dbraw/zinc/42/98/01/607429801.db2.gz QOOUIZVYOPHBLA-CQSZACIVSA-N -1 3 396.451 3.243 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)COc2ccccc2)cc1-c1nn[n-]n1 ZINC000820294075 607429803 /nfs/dbraw/zinc/42/98/03/607429803.db2.gz QOOUIZVYOPHBLA-CQSZACIVSA-N -1 3 396.451 3.243 20 0 GGADHM COCc1ccccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821695988 607430234 /nfs/dbraw/zinc/43/02/34/607430234.db2.gz QPJLVPHUMPGECV-UHFFFAOYSA-N -1 3 396.451 3.122 20 0 GGADHM COCc1ccccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821695988 607430235 /nfs/dbraw/zinc/43/02/35/607430235.db2.gz QPJLVPHUMPGECV-UHFFFAOYSA-N -1 3 396.451 3.122 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820165891 607430751 /nfs/dbraw/zinc/43/07/51/607430751.db2.gz RFAPHRIZCSODSL-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820165891 607430753 /nfs/dbraw/zinc/43/07/53/607430753.db2.gz RFAPHRIZCSODSL-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000568061330 600262111 /nfs/dbraw/zinc/26/21/11/600262111.db2.gz CAYAVOQYHGHYRX-MAUKXSAKSA-N -1 3 384.451 3.093 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000574863086 600263458 /nfs/dbraw/zinc/26/34/58/600263458.db2.gz FGHDJEWFLWAGDH-SPYBWZPUSA-N -1 3 384.451 3.407 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCCCC[C@@H]1c1ccco1 ZINC000737861225 600273982 /nfs/dbraw/zinc/27/39/82/600273982.db2.gz BHBKZYJFJZJQBA-IAGOWNOFSA-N -1 3 389.448 3.343 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCCCC[C@H]1c1ccco1 ZINC000737861227 600274079 /nfs/dbraw/zinc/27/40/79/600274079.db2.gz BHBKZYJFJZJQBA-IRXDYDNUSA-N -1 3 389.448 3.343 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCCCC[C@@H]1c1ccco1 ZINC000737861223 600274187 /nfs/dbraw/zinc/27/41/87/600274187.db2.gz BHBKZYJFJZJQBA-DLBZAZTESA-N -1 3 389.448 3.343 20 0 GGADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1 ZINC000822408687 607434103 /nfs/dbraw/zinc/43/41/03/607434103.db2.gz GOZIVSMRYFZETC-LLVKDONJSA-N -1 3 387.469 3.302 20 0 GGADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1 ZINC000822408687 607434105 /nfs/dbraw/zinc/43/41/05/607434105.db2.gz GOZIVSMRYFZETC-LLVKDONJSA-N -1 3 387.469 3.302 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604890 600280441 /nfs/dbraw/zinc/28/04/41/600280441.db2.gz PXZFWIXGLBRBHB-LPHOPBHVSA-N -1 3 382.435 3.253 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)Cc1ccccc1 ZINC000737360466 600282401 /nfs/dbraw/zinc/28/24/01/600282401.db2.gz YNSHYYMYCWPTMZ-KRWDZBQOSA-N -1 3 375.856 3.333 20 0 GGADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736261789 600287832 /nfs/dbraw/zinc/28/78/32/600287832.db2.gz RYVAJXRTIPHEFL-KRWDZBQOSA-N -1 3 376.472 3.140 20 0 GGADHM CC(C)c1ccc(CN(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C2CC2)cc1 ZINC000736513455 600293770 /nfs/dbraw/zinc/29/37/70/600293770.db2.gz CTVLUULJXGOVNH-HXUWFJFHSA-N -1 3 384.520 3.488 20 0 GGADHM CN(C(=O)CCc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825818008 607435307 /nfs/dbraw/zinc/43/53/07/607435307.db2.gz SDPLAAPCZGUNST-UHFFFAOYSA-N -1 3 386.253 3.225 20 0 GGADHM CN(C(=O)CCc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825818008 607435309 /nfs/dbraw/zinc/43/53/09/607435309.db2.gz SDPLAAPCZGUNST-UHFFFAOYSA-N -1 3 386.253 3.225 20 0 GGADHM O=C([O-])c1ccc(NC(=O)CN(Cc2ccccc2)CC2CCOCC2)cc1 ZINC000738458896 600330954 /nfs/dbraw/zinc/33/09/54/600330954.db2.gz DYEOHWPUSPTXHK-UHFFFAOYSA-N -1 3 382.460 3.252 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737370421 600341448 /nfs/dbraw/zinc/34/14/48/600341448.db2.gz QJINVGVXKPFBLM-UHFFFAOYSA-N -1 3 384.480 3.392 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725260 600350407 /nfs/dbraw/zinc/35/04/07/600350407.db2.gz UALWOKZHFSKRHL-KXBFYZLASA-N -1 3 382.464 3.411 20 0 GGADHM CC(C)(CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000736321518 600353091 /nfs/dbraw/zinc/35/30/91/600353091.db2.gz FTOGDEICKVVOML-UHFFFAOYSA-N -1 3 396.491 3.413 20 0 GGADHM C[C@@H](CN(C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125826 600373736 /nfs/dbraw/zinc/37/37/36/600373736.db2.gz COZQVXMOKCKQFE-LPHOPBHVSA-N -1 3 393.487 3.069 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737371103 600391212 /nfs/dbraw/zinc/39/12/12/600391212.db2.gz YNRJFTVBUBPDFO-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263579228 600392385 /nfs/dbraw/zinc/39/23/85/600392385.db2.gz UILMWKUTYWFSCL-MRXNPFEDSA-N -1 3 383.366 3.275 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737370418 600403516 /nfs/dbraw/zinc/40/35/16/600403516.db2.gz QIRSZXYPUMEERN-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccccc1 ZINC000737357547 600404398 /nfs/dbraw/zinc/40/43/98/600404398.db2.gz CKJJVZYZZLRGRQ-OAHLLOKOSA-N -1 3 393.390 3.411 20 0 GGADHM CC(C)n1ccnc1CN1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736532526 600406861 /nfs/dbraw/zinc/40/68/61/600406861.db2.gz SFYQVGJVLWPUGW-LJQANCHMSA-N -1 3 390.915 3.451 20 0 GGADHM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736212562 600407049 /nfs/dbraw/zinc/40/70/49/600407049.db2.gz UYVFHICOGJJYPB-BBRMVZONSA-N -1 3 397.313 3.346 20 0 GGADHM COc1ccc2cc(C(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000821854606 607441655 /nfs/dbraw/zinc/44/16/55/607441655.db2.gz PBWKIXFRYVQNJS-UHFFFAOYSA-N -1 3 392.419 3.396 20 0 GGADHM COc1ccc2cc(C(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000821854606 607441657 /nfs/dbraw/zinc/44/16/57/607441657.db2.gz PBWKIXFRYVQNJS-UHFFFAOYSA-N -1 3 392.419 3.396 20 0 GGADHM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736211343 600409445 /nfs/dbraw/zinc/40/94/45/600409445.db2.gz KAZJYGZOWHSYGL-SCLBCKFNSA-N -1 3 397.313 3.130 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000029070053 600409936 /nfs/dbraw/zinc/40/99/36/600409936.db2.gz WMMNKGDNQKNJKE-UHFFFAOYSA-N -1 3 382.416 3.001 20 0 GGADHM CC1CCN(C(=O)C2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000736792240 600410272 /nfs/dbraw/zinc/41/02/72/600410272.db2.gz UFTIINOEEXIFRR-GOSISDBHSA-N -1 3 378.900 3.436 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000740017631 600411204 /nfs/dbraw/zinc/41/12/04/600411204.db2.gz RADMFHYKVWFEQT-SFHVURJKSA-N -1 3 399.466 3.487 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(Cl)c1 ZINC000739498548 600427974 /nfs/dbraw/zinc/42/79/74/600427974.db2.gz AHBAZWQBBYBEDW-FQEVSTJZSA-N -1 3 382.847 3.466 20 0 GGADHM O=C([O-])[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(F)cc1 ZINC000739499984 600429311 /nfs/dbraw/zinc/42/93/11/600429311.db2.gz MNSQHBPWDHITTI-CQSZACIVSA-N -1 3 382.185 3.232 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(Cl)c1 ZINC000739484085 600429323 /nfs/dbraw/zinc/42/93/23/600429323.db2.gz PKVMCRWSEKQWAV-MSOLQXFVSA-N -1 3 388.851 3.373 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(F)cc1 ZINC000739468669 600432774 /nfs/dbraw/zinc/43/27/74/600432774.db2.gz OZZQJKNFKBCCPZ-LJQANCHMSA-N -1 3 379.391 3.389 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000740017561 600456616 /nfs/dbraw/zinc/45/66/16/600456616.db2.gz KJRNRMHGIFHLRX-HXUWFJFHSA-N -1 3 396.491 3.455 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)N(C)C)cc1 ZINC000738561526 600459080 /nfs/dbraw/zinc/45/90/80/600459080.db2.gz QGNSROAVYGCQIH-LJQANCHMSA-N -1 3 384.480 3.230 20 0 GGADHM CCc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(C(=O)[O-])cc2OC)o1 ZINC000737259615 600462523 /nfs/dbraw/zinc/46/25/23/600462523.db2.gz VIFLWMMNUNNESK-NVXWUHKLSA-N -1 3 389.448 3.126 20 0 GGADHM CC1CCC(N2CCN(C(=O)NCCc3ccc(NC(=O)[O-])cc3)CC2)CC1 ZINC000736769302 600463123 /nfs/dbraw/zinc/46/31/23/600463123.db2.gz SZTSTCLBENTDDF-UHFFFAOYSA-N -1 3 388.512 3.225 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)o1 ZINC000740125868 600480577 /nfs/dbraw/zinc/48/05/77/600480577.db2.gz RUPIYVKKGMXDOO-GOSISDBHSA-N -1 3 396.365 3.049 20 0 GGADHM O=C([O-])c1cn(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c2ccccc12 ZINC000739359012 600481595 /nfs/dbraw/zinc/48/15/95/600481595.db2.gz GJWZBOXBFXAQGP-SFHVURJKSA-N -1 3 391.471 3.120 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)N(C)C)cc1 ZINC000737258461 600486577 /nfs/dbraw/zinc/48/65/77/600486577.db2.gz DGDBBTROQBFZFK-HXUWFJFHSA-N -1 3 398.507 3.484 20 0 GGADHM Cc1ccccc1C[C@H]1CCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738768523 600509179 /nfs/dbraw/zinc/50/91/79/600509179.db2.gz NFZCSRJUGJIIEG-HXUWFJFHSA-N -1 3 381.476 3.408 20 0 GGADHM CC(C)[C@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736395472 600509473 /nfs/dbraw/zinc/50/94/73/600509473.db2.gz MXKDQPFUQMWMTF-JXFKEZNVSA-N -1 3 385.508 3.038 20 0 GGADHM CCc1cc2oc(=O)cc(CN(CCC(=O)[O-])C[C@H]3CCCO3)c2cc1Cl ZINC000737252967 600511877 /nfs/dbraw/zinc/51/18/77/600511877.db2.gz ZMEVWQGGTWQJSU-OAHLLOKOSA-N -1 3 393.867 3.465 20 0 GGADHM CN(C)C(=O)c1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)cc1 ZINC000825845398 607449962 /nfs/dbraw/zinc/44/99/62/607449962.db2.gz HODADIQSUNBUDF-UHFFFAOYSA-N -1 3 390.369 3.199 20 0 GGADHM CN(C)C(=O)c1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)cc1 ZINC000825845398 607449963 /nfs/dbraw/zinc/44/99/63/607449963.db2.gz HODADIQSUNBUDF-UHFFFAOYSA-N -1 3 390.369 3.199 20 0 GGADHM CN(C(=O)COc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000821570676 607450414 /nfs/dbraw/zinc/45/04/14/607450414.db2.gz GTZFHBIPOHQXDY-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)COc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000821570676 607450415 /nfs/dbraw/zinc/45/04/15/607450415.db2.gz GTZFHBIPOHQXDY-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM O=C(CN1Cc2ccccc2C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823002429 607452089 /nfs/dbraw/zinc/45/20/89/607452089.db2.gz XWRDJXBMUTVOHX-UHFFFAOYSA-N -1 3 394.504 3.151 20 0 GGADHM O=C(CN1Cc2ccccc2C1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823002429 607452091 /nfs/dbraw/zinc/45/20/91/607452091.db2.gz XWRDJXBMUTVOHX-UHFFFAOYSA-N -1 3 394.504 3.151 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736392198 600545646 /nfs/dbraw/zinc/54/56/46/600545646.db2.gz TZGVIUAPCNVYBE-IRLDBZIGSA-N -1 3 380.488 3.354 20 0 GGADHM CC(C)COc1cccc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000820102658 607454083 /nfs/dbraw/zinc/45/40/83/607454083.db2.gz FXWBBPMMPFDKRS-UHFFFAOYSA-N -1 3 385.399 3.058 20 0 GGADHM CC(C)COc1cccc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000820102658 607454084 /nfs/dbraw/zinc/45/40/84/607454084.db2.gz FXWBBPMMPFDKRS-UHFFFAOYSA-N -1 3 385.399 3.058 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@@H](C)C[C@@H]2c2ccco2)c(-c2nnn[n-]2)c1C ZINC000822549227 607454715 /nfs/dbraw/zinc/45/47/15/607454715.db2.gz WJDBDZBFHJXFJP-BXUZGUMPSA-N -1 3 384.440 3.081 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@@H](C)C[C@@H]2c2ccco2)c(-c2nn[n-]n2)c1C ZINC000822549227 607454716 /nfs/dbraw/zinc/45/47/16/607454716.db2.gz WJDBDZBFHJXFJP-BXUZGUMPSA-N -1 3 384.440 3.081 20 0 GGADHM COC1CCC(N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC000737734100 600629153 /nfs/dbraw/zinc/62/91/53/600629153.db2.gz NYHTVBFKGAQNAB-HSBZDZAISA-N -1 3 394.537 3.399 20 0 GGADHM Cc1sc(NC(=O)CN2CCN(C3CCC(C)CC3)CC2)c(C(=O)[O-])c1C ZINC000738397091 600631632 /nfs/dbraw/zinc/63/16/32/600631632.db2.gz BKNHCTJBRSATEV-UHFFFAOYSA-N -1 3 393.553 3.198 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CCN(C3CCC(C)CC3)CC2)c(C)c1C(=O)[O-] ZINC000738237253 600631860 /nfs/dbraw/zinc/63/18/60/600631860.db2.gz SIUJQYXLMPUVKQ-PWZRNIHTSA-N -1 3 375.513 3.097 20 0 GGADHM CCOCCC1(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CCCC1 ZINC000825590228 607460334 /nfs/dbraw/zinc/46/03/34/607460334.db2.gz QLIYRDYNJLJCDV-UHFFFAOYSA-N -1 3 398.511 3.142 20 0 GGADHM CCOCCC1(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CCCC1 ZINC000825590228 607460336 /nfs/dbraw/zinc/46/03/36/607460336.db2.gz QLIYRDYNJLJCDV-UHFFFAOYSA-N -1 3 398.511 3.142 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000666574517 600639533 /nfs/dbraw/zinc/63/95/33/600639533.db2.gz XUHYDIVXAQSYHI-MRXNPFEDSA-N -1 3 378.350 3.299 20 0 GGADHM Cc1ccc(C[C@H]2CCCN2CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738588285 600642818 /nfs/dbraw/zinc/64/28/18/600642818.db2.gz BIBVRGWRNKNXQT-HXUWFJFHSA-N -1 3 381.476 3.408 20 0 GGADHM O=C(NCC1(Cc2ccccc2)CC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826433960 607460876 /nfs/dbraw/zinc/46/08/76/607460876.db2.gz XJVNTTAPUOOASH-UHFFFAOYSA-N -1 3 388.475 3.178 20 0 GGADHM O=C(NCC1(Cc2ccccc2)CC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826433960 607460879 /nfs/dbraw/zinc/46/08/79/607460879.db2.gz XJVNTTAPUOOASH-UHFFFAOYSA-N -1 3 388.475 3.178 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000738731978 600658402 /nfs/dbraw/zinc/65/84/02/600658402.db2.gz FXRAGWGFWOXIHX-UHFFFAOYSA-N -1 3 382.464 3.236 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Oc3ccccc3CC(=O)[O-])cc2)CC1 ZINC000736474725 600675962 /nfs/dbraw/zinc/67/59/62/600675962.db2.gz PUVJVPCLRPPRRR-UHFFFAOYSA-N -1 3 382.460 3.063 20 0 GGADHM Cc1ccccc1NC(=O)CCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000832978898 600690016 /nfs/dbraw/zinc/69/00/16/600690016.db2.gz RNMLPWWNUCVJKG-KRWDZBQOSA-N -1 3 381.476 3.233 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736814283 600692361 /nfs/dbraw/zinc/69/23/61/600692361.db2.gz JVXXEUFXXBCCKJ-GOSISDBHSA-N -1 3 380.488 3.440 20 0 GGADHM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(-n2cccn2)c1 ZINC000827727227 600693868 /nfs/dbraw/zinc/69/38/68/600693868.db2.gz HGMRXGIEBSBNPR-DYVFJYSZSA-N -1 3 396.472 3.088 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000829780685 600707786 /nfs/dbraw/zinc/70/77/86/600707786.db2.gz KJFJJIZDBGPHTJ-NRFANRHFSA-N -1 3 395.503 3.164 20 0 GGADHM O=C([O-])c1cc(N2CCN(C3CCC3)CC2)c2cc(Br)ccc2n1 ZINC000740080157 600708500 /nfs/dbraw/zinc/70/85/00/600708500.db2.gz DDRNOSVLXHTGRK-UHFFFAOYSA-N -1 3 390.281 3.370 20 0 GGADHM CC(C)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C1CCOCC1 ZINC000736801003 600717582 /nfs/dbraw/zinc/71/75/82/600717582.db2.gz IFOGQHKKJGJNMJ-CYBMUJFWSA-N -1 3 394.537 3.399 20 0 GGADHM C[C@@H]1CCN(C(=O)NCCCCCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000382627186 600724492 /nfs/dbraw/zinc/72/44/92/600724492.db2.gz UEUFAXBGSNCRTA-GOSISDBHSA-N -1 3 375.513 3.328 20 0 GGADHM C[C@H]1CCN(C(=O)NCCCCCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000382627187 600724518 /nfs/dbraw/zinc/72/45/18/600724518.db2.gz UEUFAXBGSNCRTA-SFHVURJKSA-N -1 3 375.513 3.328 20 0 GGADHM CCN1CC[C@@H](N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[C@@H]1C ZINC000737111753 600725040 /nfs/dbraw/zinc/72/50/40/600725040.db2.gz DHBIUYSHRJHCJE-QWHCGFSZSA-N -1 3 396.534 3.093 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000263420074 600731514 /nfs/dbraw/zinc/73/15/14/600731514.db2.gz ONYYZOVHXRKNSP-QGZVFWFLSA-N -1 3 390.386 3.271 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736815886 600744741 /nfs/dbraw/zinc/74/47/41/600744741.db2.gz ZKOLTQQKOXRBNC-KRWDZBQOSA-N -1 3 381.476 3.442 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000832367537 600746922 /nfs/dbraw/zinc/74/69/22/600746922.db2.gz HPQBKHYXBDUBSA-SCLBCKFNSA-N -1 3 378.831 3.482 20 0 GGADHM O=C([O-])[C@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1F ZINC000833165560 600749071 /nfs/dbraw/zinc/74/90/71/600749071.db2.gz KPJMJCCNVFMSJY-MRXNPFEDSA-N -1 3 375.787 3.487 20 0 GGADHM O=C([O-])[C@H](NCCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F ZINC000833166510 600750669 /nfs/dbraw/zinc/75/06/69/600750669.db2.gz QFEHLEAWRHTMDH-MRXNPFEDSA-N -1 3 375.787 3.487 20 0 GGADHM Cn1cc(N2CCC[C@@H](N[C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833044469 600755650 /nfs/dbraw/zinc/75/56/50/600755650.db2.gz AYPDUODKLKJGGV-MLGOLLRUSA-N -1 3 383.279 3.111 20 0 GGADHM C[C@@H]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828276412 600765466 /nfs/dbraw/zinc/76/54/66/600765466.db2.gz CEOFWIWVIJZRTK-GOSISDBHSA-N -1 3 395.503 3.233 20 0 GGADHM CCCCc1ccc(CC(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000825296504 607467240 /nfs/dbraw/zinc/46/72/40/607467240.db2.gz MCMCBDIWRCIKGW-UHFFFAOYSA-N -1 3 387.447 3.334 20 0 GGADHM CCCCc1ccc(CC(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000825296504 607467242 /nfs/dbraw/zinc/46/72/42/607467242.db2.gz MCMCBDIWRCIKGW-UHFFFAOYSA-N -1 3 387.447 3.334 20 0 GGADHM C[C@@](O)(c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000820467395 607467859 /nfs/dbraw/zinc/46/78/59/607467859.db2.gz GMUKXKFVMOPYME-MRXNPFEDSA-N -1 3 382.317 3.355 20 0 GGADHM C[C@@](O)(c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000820467395 607467860 /nfs/dbraw/zinc/46/78/60/607467860.db2.gz GMUKXKFVMOPYME-MRXNPFEDSA-N -1 3 382.317 3.355 20 0 GGADHM Cc1ccc(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000184997962 600779524 /nfs/dbraw/zinc/77/95/24/600779524.db2.gz HYJAUVUCZRUPMY-OAHLLOKOSA-N -1 3 390.505 3.101 20 0 GGADHM CN(C)Cc1cccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000737369914 600802052 /nfs/dbraw/zinc/80/20/52/600802052.db2.gz AOYPSJZYCOLRGB-UHFFFAOYSA-N -1 3 376.403 3.144 20 0 GGADHM Cc1cc(CN[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000832882372 600809720 /nfs/dbraw/zinc/80/97/20/600809720.db2.gz FVTHTNRZLMAMGP-APWZRJJASA-N -1 3 382.460 3.050 20 0 GGADHM Cc1cc(CN[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000832882380 600810026 /nfs/dbraw/zinc/81/00/26/600810026.db2.gz FVTHTNRZLMAMGP-VQIMIIECSA-N -1 3 382.460 3.050 20 0 GGADHM NC(=O)c1ccc(CN(CCOc2ccc(C(=O)[O-])cc2Cl)C2CC2)cc1 ZINC000833084599 600816009 /nfs/dbraw/zinc/81/60/09/600816009.db2.gz UECYYUGMRXUDEO-UHFFFAOYSA-N -1 3 388.851 3.181 20 0 GGADHM Cc1cc(C[C@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC000822193188 607470107 /nfs/dbraw/zinc/47/01/07/607470107.db2.gz NZMUIJPXTWQTIJ-HNNXBMFYSA-N -1 3 388.479 3.416 20 0 GGADHM Cc1cc(C[C@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC000822193188 607470108 /nfs/dbraw/zinc/47/01/08/607470108.db2.gz NZMUIJPXTWQTIJ-HNNXBMFYSA-N -1 3 388.479 3.416 20 0 GGADHM COc1ccc(CCCN(C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832300095 600819586 /nfs/dbraw/zinc/81/95/86/600819586.db2.gz YOLLUXBSKBEQEE-KRWDZBQOSA-N -1 3 388.489 3.125 20 0 GGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cccc(N(C)C)c1)CC2 ZINC000652452788 600820677 /nfs/dbraw/zinc/82/06/77/600820677.db2.gz RIZPIRCAAVHCGD-LJQANCHMSA-N -1 3 384.476 3.344 20 0 GGADHM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829394839 600820825 /nfs/dbraw/zinc/82/08/25/600820825.db2.gz AFUCXJSJDONDBH-GDBMZVCRSA-N -1 3 396.915 3.434 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829216546 600821876 /nfs/dbraw/zinc/82/18/76/600821876.db2.gz NUWOCCOYWCNRAI-HOCLYGCPSA-N -1 3 396.915 3.434 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829216547 600821884 /nfs/dbraw/zinc/82/18/84/600821884.db2.gz NUWOCCOYWCNRAI-ZBFHGGJFSA-N -1 3 396.915 3.434 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)cc1C(=O)[O-] ZINC000832956038 600830088 /nfs/dbraw/zinc/83/00/88/600830088.db2.gz WGEKDKUGVDMMEB-UHFFFAOYSA-N -1 3 388.489 3.132 20 0 GGADHM O=C([O-])c1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1Cl ZINC000833099883 600835782 /nfs/dbraw/zinc/83/57/82/600835782.db2.gz KCQJFHMEFQCXQO-UHFFFAOYSA-N -1 3 387.867 3.189 20 0 GGADHM O=C([O-])[C@H]1CCCN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000164534622 600844950 /nfs/dbraw/zinc/84/49/50/600844950.db2.gz SNLPSOWTDASDRG-NRFANRHFSA-N -1 3 380.488 3.055 20 0 GGADHM CCN(C(=O)CN(CCC(=O)[O-])C1CCOCC1)c1cccc2ccccc21 ZINC000567856849 600858677 /nfs/dbraw/zinc/85/86/77/600858677.db2.gz SLZOIBPRROKNPX-UHFFFAOYSA-N -1 3 384.476 3.148 20 0 GGADHM O=C([O-])CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C1CCOCC1 ZINC000572761822 600858982 /nfs/dbraw/zinc/85/89/82/600858982.db2.gz HQYPHLBBSJCZAD-UHFFFAOYSA-N -1 3 399.369 3.211 20 0 GGADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000827958255 600920387 /nfs/dbraw/zinc/92/03/87/600920387.db2.gz RTXVMMOYFTWCGA-OWCLPIDISA-N -1 3 385.464 3.335 20 0 GGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000736230261 600933643 /nfs/dbraw/zinc/93/36/43/600933643.db2.gz JNAIOOPKHYNTDD-QGZVFWFLSA-N -1 3 381.476 3.295 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(Oc2ccccc2)nc1 ZINC000822743890 607477532 /nfs/dbraw/zinc/47/75/32/607477532.db2.gz HYJMAYBKGSRPBS-UHFFFAOYSA-N -1 3 376.395 3.483 20 0 GGADHM CCc1[nH]c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000830183733 600961614 /nfs/dbraw/zinc/96/16/14/600961614.db2.gz MDQBPWXFXPAFJZ-HNNXBMFYSA-N -1 3 383.492 3.320 20 0 GGADHM CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000737007368 600973517 /nfs/dbraw/zinc/97/35/17/600973517.db2.gz GEBIWFCSRLCZTQ-MOPGFXCFSA-N -1 3 394.556 3.150 20 0 GGADHM CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000737007371 600973747 /nfs/dbraw/zinc/97/37/47/600973747.db2.gz GEBIWFCSRLCZTQ-RTBURBONSA-N -1 3 394.556 3.150 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828276660 601004882 /nfs/dbraw/zinc/00/48/82/601004882.db2.gz DTVOZNODOJOEHI-QGZVFWFLSA-N -1 3 397.475 3.278 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642344 601021567 /nfs/dbraw/zinc/02/15/67/601021567.db2.gz JRMBGAOOIMINLM-NWDGAFQWSA-N -1 3 376.375 3.162 20 0 GGADHM Cc1[nH]c(C(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843713 601047678 /nfs/dbraw/zinc/04/76/78/601047678.db2.gz GAKNCCRSINDNJC-HNNXBMFYSA-N -1 3 383.492 3.109 20 0 GGADHM O=C([O-])CCN(CC(=O)Nc1ccccc1-c1ccccc1)C1CCOCC1 ZINC000568984222 601048743 /nfs/dbraw/zinc/04/87/43/601048743.db2.gz SIGPNCUCZQOPQK-UHFFFAOYSA-N -1 3 382.460 3.248 20 0 GGADHM O=C([O-])[C@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000738480030 601081886 /nfs/dbraw/zinc/08/18/86/601081886.db2.gz UCBSTRCFQPTXQI-AZUAARDMSA-N -1 3 384.451 3.022 20 0 GGADHM C[C@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)C[C@H](C)O1 ZINC000820778890 607488431 /nfs/dbraw/zinc/48/84/31/607488431.db2.gz YMSALQZZULDZPX-KBPBESRZSA-N -1 3 382.443 3.232 20 0 GGADHM C[C@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2)C[C@H](C)O1 ZINC000820778890 607488432 /nfs/dbraw/zinc/48/84/32/607488432.db2.gz YMSALQZZULDZPX-KBPBESRZSA-N -1 3 382.443 3.232 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828295495 601108537 /nfs/dbraw/zinc/10/85/37/601108537.db2.gz IMLCJSMITPUTHT-SFHVURJKSA-N -1 3 380.488 3.440 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828295494 601108591 /nfs/dbraw/zinc/10/85/91/601108591.db2.gz IMLCJSMITPUTHT-GOSISDBHSA-N -1 3 380.488 3.440 20 0 GGADHM CCc1[nH]c(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c(C)c1C(=O)[O-] ZINC000830184019 601108763 /nfs/dbraw/zinc/10/87/63/601108763.db2.gz QJZPQJVBGDDNCY-OAHLLOKOSA-N -1 3 383.492 3.320 20 0 GGADHM CC(C)c1cnc(CN(C)[C@H]2CCN(CCOc3cccc(C(=O)[O-])c3)C2)o1 ZINC000736524012 601114646 /nfs/dbraw/zinc/11/46/46/601114646.db2.gz YDQZBTAZPZZXMJ-KRWDZBQOSA-N -1 3 387.480 3.081 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148647 601119279 /nfs/dbraw/zinc/11/92/79/601119279.db2.gz BYVBTKUKJXKDSZ-LPHOPBHVSA-N -1 3 381.476 3.346 20 0 GGADHM Cc1[nH]c(C(=O)CN2CCN(Cc3ccccc3)CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832843733 601120394 /nfs/dbraw/zinc/12/03/94/601120394.db2.gz GDFPCZACSWDPPF-HNNXBMFYSA-N -1 3 383.492 3.109 20 0 GGADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000831577377 601135488 /nfs/dbraw/zinc/13/54/88/601135488.db2.gz FOLNXSCGEJFSNS-CQSZACIVSA-N -1 3 383.659 3.055 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828295615 601148285 /nfs/dbraw/zinc/14/82/85/601148285.db2.gz LEKCDJXHGGLWHX-GOSISDBHSA-N -1 3 375.513 3.328 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000248514249 601149596 /nfs/dbraw/zinc/14/95/96/601149596.db2.gz DWDAOGWASWVLTE-NXHRZFHOSA-N -1 3 399.516 3.291 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832373911 601202964 /nfs/dbraw/zinc/20/29/64/601202964.db2.gz NSEPHVYVVKXXMV-KPZWWZAWSA-N -1 3 376.840 3.339 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832373917 601203155 /nfs/dbraw/zinc/20/31/55/601203155.db2.gz NSEPHVYVVKXXMV-XIKOKIGWSA-N -1 3 376.840 3.339 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000826051860 601204677 /nfs/dbraw/zinc/20/46/77/601204677.db2.gz DHDXNLWCEIFMMX-PXAZEXFGSA-N -1 3 378.375 3.278 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000826051995 601204905 /nfs/dbraw/zinc/20/49/05/601204905.db2.gz GABCZWVTIZTRDQ-PIGZYNQJSA-N -1 3 387.436 3.426 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000826053547 601206095 /nfs/dbraw/zinc/20/60/95/601206095.db2.gz JLNNGZCVWXSRFM-HRAATJIYSA-N -1 3 381.476 3.277 20 0 GGADHM COc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1Cl ZINC000832394288 601206272 /nfs/dbraw/zinc/20/62/72/601206272.db2.gz QTHCRJYQLAZKDO-SGTLLEGYSA-N -1 3 376.840 3.339 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000832946149 601206892 /nfs/dbraw/zinc/20/68/92/601206892.db2.gz LFAMBSOYTSNWOR-HNAYVOBHSA-N -1 3 383.448 3.003 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccccc1-n1cccn1 ZINC000827727741 601222569 /nfs/dbraw/zinc/22/25/69/601222569.db2.gz MOBJYQXXABFQJP-XJKSGUPXSA-N -1 3 396.472 3.088 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccccc1-n1cccn1 ZINC000827727740 601222718 /nfs/dbraw/zinc/22/27/18/601222718.db2.gz MOBJYQXXABFQJP-CZUORRHYSA-N -1 3 396.472 3.088 20 0 GGADHM CC1(OCC(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000820628577 607498595 /nfs/dbraw/zinc/49/85/95/607498595.db2.gz HULRSPJRZBNFEW-UHFFFAOYSA-N -1 3 393.447 3.343 20 0 GGADHM CC1(OCC(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000820628577 607498597 /nfs/dbraw/zinc/49/85/97/607498597.db2.gz HULRSPJRZBNFEW-UHFFFAOYSA-N -1 3 393.447 3.343 20 0 GGADHM O=C([O-])c1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)ccn1 ZINC000833295545 601285454 /nfs/dbraw/zinc/28/54/54/601285454.db2.gz BYBWVLQPEGLYOQ-UHFFFAOYSA-N -1 3 387.867 3.171 20 0 GGADHM C[C@H]1COCCCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000820814172 607503626 /nfs/dbraw/zinc/50/36/26/607503626.db2.gz SFGVBDAGOZDAFN-AWEZNQCLSA-N -1 3 395.488 3.269 20 0 GGADHM C[C@H]1COCCCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000820814172 607503628 /nfs/dbraw/zinc/50/36/28/607503628.db2.gz SFGVBDAGOZDAFN-AWEZNQCLSA-N -1 3 395.488 3.269 20 0 GGADHM CC1(OCC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCC1 ZINC000820629243 607499955 /nfs/dbraw/zinc/49/99/55/607499955.db2.gz VPTQRPKDQZRLFX-UHFFFAOYSA-N -1 3 383.477 3.171 20 0 GGADHM O=C([O-])c1cn(CC(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc12 ZINC000833119907 601343760 /nfs/dbraw/zinc/34/37/60/601343760.db2.gz MZQYDALNUQDNRA-GOSISDBHSA-N -1 3 397.500 3.354 20 0 GGADHM Cc1ccc(-c2cc(CONC(=N)COc3cccc(C(=O)[O-])c3)on2)cc1 ZINC000832905602 601352464 /nfs/dbraw/zinc/35/24/64/601352464.db2.gz DGQGOQNWXPZIAO-UHFFFAOYSA-N -1 3 381.388 3.426 20 0 GGADHM COc1ccc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)cc1-c1nnn[n-]1 ZINC000826193699 607506065 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ZINC000829562468 601612264 /nfs/dbraw/zinc/61/22/64/601612264.db2.gz GHXPGMDSUCPWPB-UHFFFAOYSA-N -1 3 399.491 3.183 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832310469 601617565 /nfs/dbraw/zinc/61/75/65/601617565.db2.gz ATHSCXMBSLTVIO-IFXJQAMLSA-N -1 3 385.464 3.340 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832310471 601617598 /nfs/dbraw/zinc/61/75/98/601617598.db2.gz ATHSCXMBSLTVIO-KUHUBIRLSA-N -1 3 385.464 3.340 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832310474 601617696 /nfs/dbraw/zinc/61/76/96/601617696.db2.gz ATHSCXMBSLTVIO-LIRRHRJNSA-N -1 3 385.464 3.340 20 0 GGADHM O=C([O-])C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc(Cl)cc1 ZINC000833265488 601619390 /nfs/dbraw/zinc/61/93/90/601619390.db2.gz DINJMBGUKUVTEG-KRWDZBQOSA-N -1 3 394.899 3.007 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000833032996 601621570 /nfs/dbraw/zinc/62/15/70/601621570.db2.gz SLYCYIVTQHIASI-UHFFFAOYSA-N -1 3 379.526 3.351 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000830811184 601631988 /nfs/dbraw/zinc/63/19/88/601631988.db2.gz RCVYDRRAAPGJRI-QGZVFWFLSA-N -1 3 378.469 3.091 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832368118 601650922 /nfs/dbraw/zinc/65/09/22/601650922.db2.gz UARLBBZIDODQBS-YJYMSZOUSA-N -1 3 390.867 3.016 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000832945694 601651718 /nfs/dbraw/zinc/65/17/18/601651718.db2.gz HVVUBZAGCLMNBQ-HNAYVOBHSA-N -1 3 383.448 3.003 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000826045197 601652843 /nfs/dbraw/zinc/65/28/43/601652843.db2.gz QKHDVGXBSKGSDE-DJJJIMSYSA-N -1 3 392.858 3.489 20 0 GGADHM COc1ccccc1[C@H](C)N(C)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832589806 601653697 /nfs/dbraw/zinc/65/36/97/601653697.db2.gz UCFFKCPRRFJNNI-QYWGDWMGSA-N -1 3 384.476 3.266 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccccc1 ZINC000826045704 601655178 /nfs/dbraw/zinc/65/51/78/601655178.db2.gz XJUMSZPWOBBQQB-SCLBCKFNSA-N -1 3 383.473 3.311 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000826044310 601656207 /nfs/dbraw/zinc/65/62/07/601656207.db2.gz FBMCDGIEDQUIJM-SJKOYZFVSA-N -1 3 380.897 3.412 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000826045631 601657182 /nfs/dbraw/zinc/65/71/82/601657182.db2.gz VOBFWXXNSXEENH-NYHFZMIOSA-N -1 3 391.471 3.104 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000832924788 601679800 /nfs/dbraw/zinc/67/98/00/601679800.db2.gz ZNYOIJIVVJAHCA-LJQANCHMSA-N -1 3 384.476 3.108 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000830609117 601693191 /nfs/dbraw/zinc/69/31/91/601693191.db2.gz ULTKFXKEXARHSI-UHFFFAOYSA-N -1 3 383.420 3.320 20 0 GGADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC000826295369 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386.879 3.118 20 0 GGADHM Cc1ccc(CCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832930720 601731200 /nfs/dbraw/zinc/73/12/00/601731200.db2.gz LEOJMHJCICCNDF-HSZRJFAPSA-N -1 3 380.488 3.163 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc3ncsc3c2)CCCN(Cc2ccccc2)C1 ZINC000833129260 601731649 /nfs/dbraw/zinc/73/16/49/601731649.db2.gz YPSWZFHKEIURRR-NRFANRHFSA-N -1 3 395.484 3.146 20 0 GGADHM CC(C)Oc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000827042647 601732125 /nfs/dbraw/zinc/73/21/25/601732125.db2.gz UXPOKATXIFEASN-HSZRJFAPSA-N -1 3 396.487 3.323 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Cc2cc3ccccc3o2)CCCN(Cc2ccccc2)C1 ZINC000833116872 601732763 /nfs/dbraw/zinc/73/27/63/601732763.db2.gz IXJFMILDUXOQAK-HSZRJFAPSA-N -1 3 392.455 3.211 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)CCCc2cccs2)CCCN(Cc2ccccc2)C1 ZINC000833099334 601732982 /nfs/dbraw/zinc/73/29/82/601732982.db2.gz PZFGQNHVEHCJTN-OAQYLSRUSA-N -1 3 386.517 3.306 20 0 GGADHM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000827226736 601734390 /nfs/dbraw/zinc/73/43/90/601734390.db2.gz PRTOFTYUAUUYCC-FDDCHVKYSA-N -1 3 380.488 3.416 20 0 GGADHM COc1ccc([C@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832216863 601734417 /nfs/dbraw/zinc/73/44/17/601734417.db2.gz UEOOJZFEHWRQEX-GAJHUEQPSA-N -1 3 396.487 3.034 20 0 GGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827586685 601734465 /nfs/dbraw/zinc/73/44/65/601734465.db2.gz SSRGCKXTPKXALK-GAJHUEQPSA-N -1 3 398.478 3.240 20 0 GGADHM Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c2ccccc21 ZINC000833042201 601734866 /nfs/dbraw/zinc/73/48/66/601734866.db2.gz YUZKPFUYBSEAGC-HSZRJFAPSA-N -1 3 391.471 3.028 20 0 GGADHM O=C([O-])[C@]1(NC(=O)/C=C\c2ccccc2F)CCCN(Cc2ccccc2)C1 ZINC000833094800 601735079 /nfs/dbraw/zinc/73/50/79/601735079.db2.gz KTQGDFOWLTXMBN-GJCOWUBNSA-N -1 3 382.435 3.075 20 0 GGADHM O=C([O-])[C@]1(NC(=O)C/C=C/c2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833096036 601740773 /nfs/dbraw/zinc/74/07/73/601740773.db2.gz GGDYSQASYNKKND-WAWJGKILSA-N -1 3 396.462 3.465 20 0 GGADHM Cc1ccccc1NCCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832978878 601778261 /nfs/dbraw/zinc/77/82/61/601778261.db2.gz QWYSCTRIULHCRY-HSZRJFAPSA-N -1 3 395.503 3.033 20 0 GGADHM O=C([O-])CCC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000833224323 601794438 /nfs/dbraw/zinc/79/44/38/601794438.db2.gz HRCYPYWCFOETQF-UHFFFAOYSA-N -1 3 389.565 3.102 20 0 GGADHM O=C([O-])c1sccc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833348435 601808048 /nfs/dbraw/zinc/80/80/48/601808048.db2.gz KPJWHATYZSZWLO-GFCCVEGCSA-N -1 3 379.869 3.345 20 0 GGADHM O=C([O-])c1sccc1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000833347979 601808194 /nfs/dbraw/zinc/80/81/94/601808194.db2.gz YJBNWGJPLRXVIZ-UHFFFAOYSA-N -1 3 376.453 3.114 20 0 GGADHM O=C([O-])c1sccc1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000833347572 601810957 /nfs/dbraw/zinc/81/09/57/601810957.db2.gz MAWSPNAAARTOGD-UHFFFAOYSA-N -1 3 378.519 3.079 20 0 GGADHM O=C([O-])CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000659774052 601814647 /nfs/dbraw/zinc/81/46/47/601814647.db2.gz GGIVPZQAIFYRTB-GOSISDBHSA-N -1 3 376.472 3.141 20 0 GGADHM CN(Cc1ccsc1C(=O)[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000830865700 601826520 /nfs/dbraw/zinc/82/65/20/601826520.db2.gz UHNQXAWHMJOIBG-CYBMUJFWSA-N -1 3 389.395 3.337 20 0 GGADHM CC(C)C1CCC(N2CCN(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)CC1 ZINC000263491487 601826711 /nfs/dbraw/zinc/82/67/11/601826711.db2.gz RHYLVWKSHITDMS-UHFFFAOYSA-N -1 3 379.545 3.172 20 0 GGADHM CC[C@@H](C)[C@@H](NCc1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000828740713 601832511 /nfs/dbraw/zinc/83/25/11/601832511.db2.gz WRHOLDPBMAFLEZ-FOIQADDNSA-N -1 3 398.507 3.456 20 0 GGADHM C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662219099 601839327 /nfs/dbraw/zinc/83/93/27/601839327.db2.gz ZNIDMTRSNHLSTN-HNNXBMFYSA-N -1 3 396.915 3.143 20 0 GGADHM COc1ccc([C@@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000666513096 601845780 /nfs/dbraw/zinc/84/57/80/601845780.db2.gz DJKRKMDMHGWYRU-HXUWFJFHSA-N -1 3 397.475 3.030 20 0 GGADHM C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000827741904 601852353 /nfs/dbraw/zinc/85/23/53/601852353.db2.gz WSJDKDLMQPVORK-ZDUSSCGKSA-N -1 3 381.881 3.190 20 0 GGADHM Cc1cc(F)c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000832887289 601871013 /nfs/dbraw/zinc/87/10/13/601871013.db2.gz NITCFEHXMAOAIH-NRFANRHFSA-N -1 3 388.414 3.122 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176521 601881248 /nfs/dbraw/zinc/88/12/48/601881248.db2.gz JJZYCIZCVUYUJG-UZLBHIALSA-N -1 3 396.491 3.281 20 0 GGADHM C[C@H]1C[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176510 601881296 /nfs/dbraw/zinc/88/12/96/601881296.db2.gz JJZYCIZCVUYUJG-JXFKEZNVSA-N -1 3 396.491 3.281 20 0 GGADHM COc1ccc(NC(=O)CCN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832393926 601901185 /nfs/dbraw/zinc/90/11/85/601901185.db2.gz KFIFDVUINVVKII-GOSISDBHSA-N -1 3 396.365 3.199 20 0 GGADHM CN(CCc1nc(-c2ccccc2)no1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800683 601903130 /nfs/dbraw/zinc/90/31/30/601903130.db2.gz SVMKRNHUINKTNY-KRWDZBQOSA-N -1 3 391.349 3.454 20 0 GGADHM CN(C[C@@H](O)c1ccc(F)c(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713525 601904458 /nfs/dbraw/zinc/90/44/58/601904458.db2.gz HENABHFEIXYADH-ZBFHGGJFSA-N -1 3 375.293 3.173 20 0 GGADHM COc1ccc(COCCN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832362211 601904936 /nfs/dbraw/zinc/90/49/36/601904936.db2.gz ABFKTSVICOUBBJ-GOSISDBHSA-N -1 3 383.366 3.387 20 0 GGADHM Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832926454 601905059 /nfs/dbraw/zinc/90/50/59/601905059.db2.gz QQRIKLKPFBBJGO-LIRRHRJNSA-N -1 3 397.393 3.218 20 0 GGADHM CN(CCc1nc2ccccc2n1C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800736 601905109 /nfs/dbraw/zinc/90/51/09/601905109.db2.gz WNWMZZGCVLSJGC-SFHVURJKSA-N -1 3 377.366 3.291 20 0 GGADHM Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832926452 601905240 /nfs/dbraw/zinc/90/52/40/601905240.db2.gz QQRIKLKPFBBJGO-IFXJQAMLSA-N -1 3 397.393 3.218 20 0 GGADHM Cc1ccccc1NC(=O)CCN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832978506 601907564 /nfs/dbraw/zinc/90/75/64/601907564.db2.gz IIZOPNNGTDGRFH-GOSISDBHSA-N -1 3 380.366 3.499 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CN1Cc1ccccc1 ZINC000828177178 601930351 /nfs/dbraw/zinc/93/03/51/601930351.db2.gz OTTGGJSNWHOCOC-OCCSQVGLSA-N -1 3 389.402 3.448 20 0 GGADHM COc1ccc(CSCc2cccc(C(=O)N(C)C)c2)cc1-c1nnn[n-]1 ZINC000826207908 607534751 /nfs/dbraw/zinc/53/47/51/607534751.db2.gz KBNNFFZLRCPBHE-UHFFFAOYSA-N -1 3 383.477 3.011 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000263215251 601937324 /nfs/dbraw/zinc/93/73/24/601937324.db2.gz XIJBSLRRKMMROW-FPOVZHCZSA-N -1 3 386.879 3.342 20 0 GGADHM COc1ccc(CSCc2cccc(C(=O)N(C)C)c2)cc1-c1nn[n-]n1 ZINC000826207908 607534753 /nfs/dbraw/zinc/53/47/53/607534753.db2.gz KBNNFFZLRCPBHE-UHFFFAOYSA-N -1 3 383.477 3.011 20 0 GGADHM CN(C(=O)CN1CC[C@@](C)(C(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000449081778 601940157 /nfs/dbraw/zinc/94/01/57/601940157.db2.gz HVJOZULBUIGPSY-IFMALSPDSA-N -1 3 384.451 3.170 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)s1 ZINC000833315496 601940247 /nfs/dbraw/zinc/94/02/47/601940247.db2.gz WYNRSIWFLZLNEE-UHFFFAOYSA-N -1 3 388.445 3.026 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000263109974 601942077 /nfs/dbraw/zinc/94/20/77/601942077.db2.gz JNGJGUYHXBNRRQ-PZJWPPBQSA-N -1 3 384.501 3.019 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826022257 601946152 /nfs/dbraw/zinc/94/61/52/601946152.db2.gz ZRLOBDWJZVDMOW-YCRPNKLZSA-N -1 3 399.516 3.498 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826022254 601946414 /nfs/dbraw/zinc/94/64/14/601946414.db2.gz ZRLOBDWJZVDMOW-BTYIYWSLSA-N -1 3 399.516 3.498 20 0 GGADHM COc1cccc(C(=O)NCCN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832518757 601971062 /nfs/dbraw/zinc/97/10/62/601971062.db2.gz VHVDJUIPCZEKLY-MRXNPFEDSA-N -1 3 397.258 3.147 20 0 GGADHM O=C([O-])[C@@H](NCCN1C(=O)Cc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833168331 601975562 /nfs/dbraw/zinc/97/55/62/601975562.db2.gz WSONGLJZQTWCST-KRWDZBQOSA-N -1 3 379.243 3.298 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826881471 602002089 /nfs/dbraw/zinc/00/20/89/602002089.db2.gz VSTMEFRFHWRXGE-UHFFFAOYSA-N -1 3 375.391 3.455 20 0 GGADHM COc1ccc(CSc2nncn2[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826207956 607539363 /nfs/dbraw/zinc/53/93/63/607539363.db2.gz MFNIASCVRBJFBL-CYBMUJFWSA-N -1 3 393.476 3.368 20 0 GGADHM COc1ccc(CSc2nncn2[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826207956 607539365 /nfs/dbraw/zinc/53/93/65/607539365.db2.gz MFNIASCVRBJFBL-CYBMUJFWSA-N -1 3 393.476 3.368 20 0 GGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000833170714 602044241 /nfs/dbraw/zinc/04/42/41/602044241.db2.gz JARWNLORDVTUTG-IRXDYDNUSA-N -1 3 387.307 3.306 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826177435 607541384 /nfs/dbraw/zinc/54/13/84/607541384.db2.gz IIWZRWLNKUHYSL-LBPRGKRZSA-N -1 3 397.460 3.197 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826177435 607541385 /nfs/dbraw/zinc/54/13/85/607541385.db2.gz IIWZRWLNKUHYSL-LBPRGKRZSA-N -1 3 397.460 3.197 20 0 GGADHM CN1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC000830934601 602111070 /nfs/dbraw/zinc/11/10/70/602111070.db2.gz IHXCYWQNOXDDLN-QGZVFWFLSA-N -1 3 383.448 3.180 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825435185 607546642 /nfs/dbraw/zinc/54/66/42/607546642.db2.gz OTECXEUKAKHJJI-UHFFFAOYSA-N -1 3 391.884 3.039 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825435185 607546644 /nfs/dbraw/zinc/54/66/44/607546644.db2.gz OTECXEUKAKHJJI-UHFFFAOYSA-N -1 3 391.884 3.039 20 0 GGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825498963 607547140 /nfs/dbraw/zinc/54/71/40/607547140.db2.gz FEBUTTNMXPNGJM-YRNVUSSQSA-N -1 3 379.420 3.064 20 0 GGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825498963 607547142 /nfs/dbraw/zinc/54/71/42/607547142.db2.gz FEBUTTNMXPNGJM-YRNVUSSQSA-N -1 3 379.420 3.064 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@H]2CCCc3c2cnn3C(C)(C)C)C(=O)[O-])c1 ZINC000832048862 602173827 /nfs/dbraw/zinc/17/38/27/602173827.db2.gz BLDARYMMQJZOCI-PKOBYXMFSA-N -1 3 387.480 3.448 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@H]2CCCc3c2cnn3C(C)(C)C)C(=O)[O-])c1 ZINC000832048859 602174058 /nfs/dbraw/zinc/17/40/58/602174058.db2.gz BLDARYMMQJZOCI-HKUYNNGSSA-N -1 3 387.480 3.448 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2cc(OC)nc3ccccc23)C(=O)[O-])c1 ZINC000832056683 602175202 /nfs/dbraw/zinc/17/52/02/602175202.db2.gz HICSYUPTCGPNIX-FQEVSTJZSA-N -1 3 382.416 3.176 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2cc(N(C)C)nc3ccccc23)C(=O)[O-])c1 ZINC000832056935 602176732 /nfs/dbraw/zinc/17/67/32/602176732.db2.gz KUKPHTHJGZBEEM-NRFANRHFSA-N -1 3 395.459 3.234 20 0 GGADHM COc1cc(OC)cc(N2CCCN(Cc3ccsc3C(=O)[O-])CC2)c1 ZINC000832088710 602241735 /nfs/dbraw/zinc/24/17/35/602241735.db2.gz RYKIXECHEIVASK-UHFFFAOYSA-N -1 3 376.478 3.176 20 0 GGADHM COc1cc(OC)cc(N2CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000832088903 602241865 /nfs/dbraw/zinc/24/18/65/602241865.db2.gz WOOSWBSCMVEZBX-UHFFFAOYSA-N -1 3 388.439 3.253 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NOCC(C)C ZINC000826271693 607560247 /nfs/dbraw/zinc/56/02/47/607560247.db2.gz CVGPFKZYYXYOHB-UHFFFAOYSA-N -1 3 396.451 3.463 20 0 GGADHM CC(C)CONC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824272091 607560934 /nfs/dbraw/zinc/56/09/34/607560934.db2.gz TYBYBDYRBMMLAS-UHFFFAOYSA-N -1 3 398.442 3.305 20 0 GGADHM CC(C)CONC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824272091 607560935 /nfs/dbraw/zinc/56/09/35/607560935.db2.gz TYBYBDYRBMMLAS-UHFFFAOYSA-N -1 3 398.442 3.305 20 0 GGADHM CN(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830508268 602364563 /nfs/dbraw/zinc/36/45/63/602364563.db2.gz UTUVAELYNUWUNT-LJQANCHMSA-N -1 3 397.475 3.278 20 0 GGADHM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)N1CCc2ccccc2C1 ZINC000826585585 602371418 /nfs/dbraw/zinc/37/14/18/602371418.db2.gz OWQUXQDJBYTYPU-UHFFFAOYSA-N -1 3 385.439 3.482 20 0 GGADHM Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832860091 602401289 /nfs/dbraw/zinc/40/12/89/602401289.db2.gz VWZWSRDLFMBNSA-FQEVSTJZSA-N -1 3 396.487 3.113 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825782748 607565339 /nfs/dbraw/zinc/56/53/39/607565339.db2.gz NRKKIDIZUMBMRW-MRXNPFEDSA-N -1 3 383.431 3.335 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825782748 607565340 /nfs/dbraw/zinc/56/53/40/607565340.db2.gz NRKKIDIZUMBMRW-MRXNPFEDSA-N -1 3 383.431 3.335 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@H]1C ZINC000824656760 607566764 /nfs/dbraw/zinc/56/67/64/607566764.db2.gz MJOVSEQCSGHGLG-MNOVXSKESA-N -1 3 382.390 3.087 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@H]1C ZINC000824656760 607566766 /nfs/dbraw/zinc/56/67/66/607566766.db2.gz MJOVSEQCSGHGLG-MNOVXSKESA-N -1 3 382.390 3.087 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825782301 607568709 /nfs/dbraw/zinc/56/87/09/607568709.db2.gz BLIANUKGJOLXMO-SFHVURJKSA-N -1 3 393.495 3.216 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825782301 607568710 /nfs/dbraw/zinc/56/87/10/607568710.db2.gz BLIANUKGJOLXMO-SFHVURJKSA-N -1 3 393.495 3.216 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825782896 607569102 /nfs/dbraw/zinc/56/91/02/607569102.db2.gz UIKVBONHNWQVIK-KRWDZBQOSA-N -1 3 397.458 3.012 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825782896 607569104 /nfs/dbraw/zinc/56/91/04/607569104.db2.gz UIKVBONHNWQVIK-KRWDZBQOSA-N -1 3 397.458 3.012 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cc1-c1nnn[n-]1 ZINC000826197208 607571401 /nfs/dbraw/zinc/57/14/01/607571401.db2.gz FGADHYYDQSMSHL-HNNXBMFYSA-N -1 3 394.479 3.395 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000826197208 607571402 /nfs/dbraw/zinc/57/14/02/607571402.db2.gz FGADHYYDQSMSHL-HNNXBMFYSA-N -1 3 394.479 3.395 20 0 GGADHM Cc1cccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1-c1nnn[n-]1 ZINC000826300977 607575863 /nfs/dbraw/zinc/57/58/63/607575863.db2.gz NRLJXWFFCKQKPV-OAHLLOKOSA-N -1 3 397.504 3.165 20 0 GGADHM Cc1cccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1-c1nn[n-]n1 ZINC000826300977 607575865 /nfs/dbraw/zinc/57/58/65/607575865.db2.gz NRLJXWFFCKQKPV-OAHLLOKOSA-N -1 3 397.504 3.165 20 0 GGADHM COc1ccc(CNC(=O)N2CCC[C@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000826198438 607576646 /nfs/dbraw/zinc/57/66/46/607576646.db2.gz YJYXGNJALYWPBR-KRWDZBQOSA-N -1 3 384.484 3.130 20 0 GGADHM COc1ccc(CNC(=O)N2CCC[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826198438 607576648 /nfs/dbraw/zinc/57/66/48/607576648.db2.gz YJYXGNJALYWPBR-KRWDZBQOSA-N -1 3 384.484 3.130 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1-c1nnn[n-]1 ZINC000824329373 607579015 /nfs/dbraw/zinc/57/90/15/607579015.db2.gz NUSJFRBYUIIIQX-UHFFFAOYSA-N -1 3 377.326 3.324 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1-c1nn[n-]n1 ZINC000824329373 607579017 /nfs/dbraw/zinc/57/90/17/607579017.db2.gz NUSJFRBYUIIIQX-UHFFFAOYSA-N -1 3 377.326 3.324 20 0 GGADHM COc1ccc(CNC(=O)C2CCC(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826195792 607580823 /nfs/dbraw/zinc/58/08/23/607580823.db2.gz FTZZCLQUKDJTIM-UHFFFAOYSA-N -1 3 391.475 3.466 20 0 GGADHM COc1ccc(CNC(=O)C2CCC(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826195792 607580825 /nfs/dbraw/zinc/58/08/25/607580825.db2.gz FTZZCLQUKDJTIM-UHFFFAOYSA-N -1 3 391.475 3.466 20 0 GGADHM O=C([O-])Nc1cccc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000740029470 602687430 /nfs/dbraw/zinc/68/74/30/602687430.db2.gz RIDARMAQUZGEFF-UHFFFAOYSA-N -1 3 377.510 3.258 20 0 GGADHM COc1ccc(CNC(=O)c2ccc(Cl)c3cccnc23)cc1-c1nnn[n-]1 ZINC000826201626 607584902 /nfs/dbraw/zinc/58/49/02/607584902.db2.gz ZXDICEDJQRVJHO-UHFFFAOYSA-N -1 3 394.822 3.007 20 0 GGADHM COc1ccc(CNC(=O)c2ccc(Cl)c3cccnc23)cc1-c1nn[n-]n1 ZINC000826201626 607584903 /nfs/dbraw/zinc/58/49/03/607584903.db2.gz ZXDICEDJQRVJHO-UHFFFAOYSA-N -1 3 394.822 3.007 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826402534 607589912 /nfs/dbraw/zinc/58/99/12/607589912.db2.gz WMPLYCFTCUVNDR-VMPITWQZSA-N -1 3 381.346 3.263 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826402534 607589913 /nfs/dbraw/zinc/58/99/13/607589913.db2.gz WMPLYCFTCUVNDR-VMPITWQZSA-N -1 3 381.346 3.263 20 0 GGADHM Cc1c(NC(=O)c2cc(-c3nnn[n-]3)cs2)cnn1-c1cc(C)ccc1C ZINC000826283776 607589990 /nfs/dbraw/zinc/58/99/90/607589990.db2.gz AGNNNFBJXRRSSR-UHFFFAOYSA-N -1 3 379.449 3.291 20 0 GGADHM Cc1c(NC(=O)c2cc(-c3nn[n-]n3)cs2)cnn1-c1cc(C)ccc1C ZINC000826283776 607589991 /nfs/dbraw/zinc/58/99/91/607589991.db2.gz AGNNNFBJXRRSSR-UHFFFAOYSA-N -1 3 379.449 3.291 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000824737086 607590004 /nfs/dbraw/zinc/59/00/04/607590004.db2.gz BSWXACHFQCKNHK-JTQLQIEISA-N -1 3 399.361 3.018 20 0 GGADHM CCc1ccc(C(C)(C)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825705074 607591683 /nfs/dbraw/zinc/59/16/83/607591683.db2.gz VQGUPVUDCOGDHV-UHFFFAOYSA-N -1 3 379.464 3.032 20 0 GGADHM CCc1ccc(C(C)(C)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825705074 607591686 /nfs/dbraw/zinc/59/16/86/607591686.db2.gz VQGUPVUDCOGDHV-UHFFFAOYSA-N -1 3 379.464 3.032 20 0 GGADHM CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825390674 607592438 /nfs/dbraw/zinc/59/24/38/607592438.db2.gz JZZWCRZNDIEQCH-ZDUSSCGKSA-N -1 3 389.456 3.086 20 0 GGADHM CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825390674 607592440 /nfs/dbraw/zinc/59/24/40/607592440.db2.gz JZZWCRZNDIEQCH-ZDUSSCGKSA-N -1 3 389.456 3.086 20 0 GGADHM COc1ccc(CNC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000826195740 607593208 /nfs/dbraw/zinc/59/32/08/607593208.db2.gz DNNNIOJGVUDBQR-CQSZACIVSA-N -1 3 395.463 3.082 20 0 GGADHM COc1ccc(CNC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000826195740 607593210 /nfs/dbraw/zinc/59/32/10/607593210.db2.gz DNNNIOJGVUDBQR-CQSZACIVSA-N -1 3 395.463 3.082 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826300680 607593977 /nfs/dbraw/zinc/59/39/77/607593977.db2.gz DLUXHHGNHSMFLJ-KRWDZBQOSA-N -1 3 395.488 3.016 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826300680 607593978 /nfs/dbraw/zinc/59/39/78/607593978.db2.gz DLUXHHGNHSMFLJ-KRWDZBQOSA-N -1 3 395.488 3.016 20 0 GGADHM COc1ccc(COC(=O)c2cc(C)nc3ccccc32)cc1-c1nnn[n-]1 ZINC000826205836 607594014 /nfs/dbraw/zinc/59/40/14/607594014.db2.gz PLDTZNUZWWQQKH-UHFFFAOYSA-N -1 3 375.388 3.089 20 0 GGADHM COc1ccc(COC(=O)c2cc(C)nc3ccccc32)cc1-c1nn[n-]n1 ZINC000826205836 607594017 /nfs/dbraw/zinc/59/40/17/607594017.db2.gz PLDTZNUZWWQQKH-UHFFFAOYSA-N -1 3 375.388 3.089 20 0 GGADHM COc1ccc(COC(=O)c2csc(Br)c2)cc1-c1nnn[n-]1 ZINC000826206835 607600989 /nfs/dbraw/zinc/60/09/89/607600989.db2.gz NHTOHBKYQIQMCE-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM COc1ccc(COC(=O)c2csc(Br)c2)cc1-c1nn[n-]n1 ZINC000826206835 607600991 /nfs/dbraw/zinc/60/09/91/607600991.db2.gz NHTOHBKYQIQMCE-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM COc1ccc(COC(=O)c2cc3ccccc3c(Cl)n2)cc1-c1nnn[n-]1 ZINC000826205698 607601155 /nfs/dbraw/zinc/60/11/55/607601155.db2.gz ICSWBXCEYVDLNY-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1ccc(COC(=O)c2cc3ccccc3c(Cl)n2)cc1-c1nn[n-]n1 ZINC000826205698 607601157 /nfs/dbraw/zinc/60/11/57/607601157.db2.gz ICSWBXCEYVDLNY-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM CN(CCC1CC1)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000825918781 607602072 /nfs/dbraw/zinc/60/20/72/607602072.db2.gz NEMCMOZYAMANCQ-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM CN(CCC1CC1)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000825918781 607602074 /nfs/dbraw/zinc/60/20/74/607602074.db2.gz NEMCMOZYAMANCQ-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM COc1ccc(COC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000826205294 607608915 /nfs/dbraw/zinc/60/89/15/607608915.db2.gz REETUCWUUYAJKU-CHWSQXEVSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(COC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826205294 607608916 /nfs/dbraw/zinc/60/89/16/607608916.db2.gz REETUCWUUYAJKU-CHWSQXEVSA-N -1 3 386.358 3.000 20 0 GGADHM CCCCOc1cccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000825296617 607618030 /nfs/dbraw/zinc/61/80/30/607618030.db2.gz QNBVPBIIOXFWSY-UHFFFAOYSA-N -1 3 396.451 3.376 20 0 GGADHM CCCCOc1cccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000825296617 607618032 /nfs/dbraw/zinc/61/80/32/607618032.db2.gz QNBVPBIIOXFWSY-UHFFFAOYSA-N -1 3 396.451 3.376 20 0 GGADHM CC(C)c1cc(Br)ccc1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000824343165 607619341 /nfs/dbraw/zinc/61/93/41/607619341.db2.gz ZKXYFVVPFASVKQ-UHFFFAOYSA-N -1 3 388.225 3.367 20 0 GGADHM CC(C)c1cc(Br)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824343165 607619342 /nfs/dbraw/zinc/61/93/42/607619342.db2.gz ZKXYFVVPFASVKQ-UHFFFAOYSA-N -1 3 388.225 3.367 20 0 GGADHM COc1ccc(CNC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826198981 607621853 /nfs/dbraw/zinc/62/18/53/607621853.db2.gz NWRKRSWMJMTRME-UHFFFAOYSA-N -1 3 398.854 3.017 20 0 GGADHM COc1ccc(CNC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826198981 607621856 /nfs/dbraw/zinc/62/18/56/607621856.db2.gz NWRKRSWMJMTRME-UHFFFAOYSA-N -1 3 398.854 3.017 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC000826199232 607621894 /nfs/dbraw/zinc/62/18/94/607621894.db2.gz SVUOYIPLCODQJX-OWCLPIDISA-N -1 3 384.484 3.033 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000826199232 607621895 /nfs/dbraw/zinc/62/18/95/607621895.db2.gz SVUOYIPLCODQJX-OWCLPIDISA-N -1 3 384.484 3.033 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSCc1cscn1 ZINC000825332560 607622760 /nfs/dbraw/zinc/62/27/60/607622760.db2.gz IFKLDASRQJOXDQ-UHFFFAOYSA-N -1 3 389.510 3.017 20 0 GGADHM COc1ccc(CNC(=O)N2CCCCC[C@H]2c2ccco2)cc1-c1nnn[n-]1 ZINC000826198315 607623605 /nfs/dbraw/zinc/62/36/05/607623605.db2.gz UWSGKGZANMSUQC-INIZCTEOSA-N -1 3 396.451 3.295 20 0 GGADHM COc1ccc(CNC(=O)N2CCCCC[C@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000826198315 607623606 /nfs/dbraw/zinc/62/36/06/607623606.db2.gz UWSGKGZANMSUQC-INIZCTEOSA-N -1 3 396.451 3.295 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826198218 607626399 /nfs/dbraw/zinc/62/63/99/607626399.db2.gz QLVZXPJIHYEHGU-UHFFFAOYSA-N -1 3 398.442 3.135 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826198218 607626400 /nfs/dbraw/zinc/62/64/00/607626400.db2.gz QLVZXPJIHYEHGU-UHFFFAOYSA-N -1 3 398.442 3.135 20 0 GGADHM CCc1ncc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000825750089 607629198 /nfs/dbraw/zinc/62/91/98/607629198.db2.gz LTVWCCJWOAEMAK-UHFFFAOYSA-N -1 3 386.419 3.215 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@@H]1c1ccccc1 ZINC000824051857 607636006 /nfs/dbraw/zinc/63/60/06/607636006.db2.gz GRNPTKMRRQTFOZ-SWLSCSKDSA-N -1 3 394.504 3.191 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@@H]1c1ccccc1 ZINC000824051857 607636008 /nfs/dbraw/zinc/63/60/08/607636008.db2.gz GRNPTKMRRQTFOZ-SWLSCSKDSA-N -1 3 394.504 3.191 20 0 GGADHM Cc1cccc(NC(=O)Cc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826299534 607645234 /nfs/dbraw/zinc/64/52/34/607645234.db2.gz JSTOAVUBTDJMCD-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1cccc(NC(=O)Cc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826299534 607645236 /nfs/dbraw/zinc/64/52/36/607645236.db2.gz JSTOAVUBTDJMCD-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1OCC ZINC000825632175 607649227 /nfs/dbraw/zinc/64/92/27/607649227.db2.gz MUECDYDZQNAAIN-AWEZNQCLSA-N -1 3 395.463 3.464 20 0 GGADHM CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1OCC ZINC000825632175 607649228 /nfs/dbraw/zinc/64/92/28/607649228.db2.gz MUECDYDZQNAAIN-AWEZNQCLSA-N -1 3 395.463 3.464 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000738310986 603752563 /nfs/dbraw/zinc/75/25/63/603752563.db2.gz VVGNMKVRLQLSKF-UHFFFAOYSA-N -1 3 382.464 3.236 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826285246 607650660 /nfs/dbraw/zinc/65/06/60/607650660.db2.gz TZRJWIBQSUKDGG-WMZOPIPTSA-N -1 3 397.504 3.132 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826285246 607650662 /nfs/dbraw/zinc/65/06/62/607650662.db2.gz TZRJWIBQSUKDGG-WMZOPIPTSA-N -1 3 397.504 3.132 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000826243360 607651352 /nfs/dbraw/zinc/65/13/52/607651352.db2.gz FWWFOMHGFQRGEU-UHFFFAOYSA-N -1 3 376.464 3.048 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000826243360 607651354 /nfs/dbraw/zinc/65/13/54/607651354.db2.gz FWWFOMHGFQRGEU-UHFFFAOYSA-N -1 3 376.464 3.048 20 0 GGADHM O=C(CSc1ncnc2sc3c(c21)CCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000826421636 607657371 /nfs/dbraw/zinc/65/73/71/607657371.db2.gz RMRYMKWPKLHQBW-UHFFFAOYSA-N -1 3 394.485 3.335 20 0 GGADHM O=C(CSc1ncnc2sc3c(c21)CCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000826421636 607657373 /nfs/dbraw/zinc/65/73/73/607657373.db2.gz RMRYMKWPKLHQBW-UHFFFAOYSA-N -1 3 394.485 3.335 20 0 GGADHM O=C(CSc1cc2c(cc1Cl)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000826420633 607659112 /nfs/dbraw/zinc/65/91/12/607659112.db2.gz VLXKOXGYZNUJJO-UHFFFAOYSA-N -1 3 388.836 3.266 20 0 GGADHM O=C(CSc1cc2c(cc1Cl)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000826420633 607659113 /nfs/dbraw/zinc/65/91/13/607659113.db2.gz VLXKOXGYZNUJJO-UHFFFAOYSA-N -1 3 388.836 3.266 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824480060 607659369 /nfs/dbraw/zinc/65/93/69/607659369.db2.gz SBPVLCKZOKLMCG-NSHDSACASA-N -1 3 391.353 3.185 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824480060 607659371 /nfs/dbraw/zinc/65/93/71/607659371.db2.gz SBPVLCKZOKLMCG-NSHDSACASA-N -1 3 391.353 3.185 20 0 GGADHM CCCCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1OC ZINC000825291801 607663310 /nfs/dbraw/zinc/66/33/10/607663310.db2.gz XTYFVTVWECLIQZ-UHFFFAOYSA-N -1 3 395.463 3.293 20 0 GGADHM CCCCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1OC ZINC000825291801 607663313 /nfs/dbraw/zinc/66/33/13/607663313.db2.gz XTYFVTVWECLIQZ-UHFFFAOYSA-N -1 3 395.463 3.293 20 0 GGADHM CCCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1OC ZINC000825339116 607664473 /nfs/dbraw/zinc/66/44/73/607664473.db2.gz NQPBNZDCNBECTA-AWEZNQCLSA-N -1 3 395.463 3.464 20 0 GGADHM CCCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1OC ZINC000825339116 607664475 /nfs/dbraw/zinc/66/44/75/607664475.db2.gz NQPBNZDCNBECTA-AWEZNQCLSA-N -1 3 395.463 3.464 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000826250481 607665674 /nfs/dbraw/zinc/66/56/74/607665674.db2.gz CRIAERONZQLNJV-UHFFFAOYSA-N -1 3 391.435 3.055 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000826250481 607665676 /nfs/dbraw/zinc/66/56/76/607665676.db2.gz CRIAERONZQLNJV-UHFFFAOYSA-N -1 3 391.435 3.055 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825044933 607666295 /nfs/dbraw/zinc/66/62/95/607666295.db2.gz WAFNHQJCRLRNME-UHFFFAOYSA-N -1 3 392.463 3.346 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825044933 607666297 /nfs/dbraw/zinc/66/62/97/607666297.db2.gz WAFNHQJCRLRNME-UHFFFAOYSA-N -1 3 392.463 3.346 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000826277606 607675585 /nfs/dbraw/zinc/67/55/85/607675585.db2.gz AJWRXPLBCGDFIX-UHFFFAOYSA-N -1 3 377.326 3.255 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000826277606 607675586 /nfs/dbraw/zinc/67/55/86/607675586.db2.gz AJWRXPLBCGDFIX-UHFFFAOYSA-N -1 3 377.326 3.255 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826243636 607676786 /nfs/dbraw/zinc/67/67/86/607676786.db2.gz PEDODRPIFQFHMD-ICSRJNTNSA-N -1 3 391.475 3.415 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826243636 607676788 /nfs/dbraw/zinc/67/67/88/607676788.db2.gz PEDODRPIFQFHMD-ICSRJNTNSA-N -1 3 391.475 3.415 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824641592 607682271 /nfs/dbraw/zinc/68/22/71/607682271.db2.gz XFKJZSNLDHLUEW-NSHDSACASA-N -1 3 391.522 3.265 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824641592 607682273 /nfs/dbraw/zinc/68/22/73/607682273.db2.gz XFKJZSNLDHLUEW-NSHDSACASA-N -1 3 391.522 3.265 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830609227 604296436 /nfs/dbraw/zinc/29/64/36/604296436.db2.gz YZIVIUKJNYUYHA-UHFFFAOYSA-N -1 3 378.831 3.381 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000826248066 607683769 /nfs/dbraw/zinc/68/37/69/607683769.db2.gz VMTRHAQBLLIKCC-INIZCTEOSA-N -1 3 398.264 3.355 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000826248066 607683771 /nfs/dbraw/zinc/68/37/71/607683771.db2.gz VMTRHAQBLLIKCC-INIZCTEOSA-N -1 3 398.264 3.355 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc(C(=O)[O-])o1 ZINC000827240755 604329765 /nfs/dbraw/zinc/32/97/65/604329765.db2.gz NKMGWKNFKBCONS-JTQLQIEISA-N -1 3 381.226 3.247 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000826249893 607686650 /nfs/dbraw/zinc/68/66/50/607686650.db2.gz AESUBINFIUVDRX-OAHLLOKOSA-N -1 3 397.410 3.124 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000826249893 607686652 /nfs/dbraw/zinc/68/66/52/607686652.db2.gz AESUBINFIUVDRX-OAHLLOKOSA-N -1 3 397.410 3.124 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000826244230 607688061 /nfs/dbraw/zinc/68/80/61/607688061.db2.gz KYPHLCZGUMDVFS-UHFFFAOYSA-N -1 3 379.439 3.409 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000826244230 607688063 /nfs/dbraw/zinc/68/80/63/607688063.db2.gz KYPHLCZGUMDVFS-UHFFFAOYSA-N -1 3 379.439 3.409 20 0 GGADHM Cc1cc(CNC(C)(C)C(=O)NCC2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832882914 604421705 /nfs/dbraw/zinc/42/17/05/604421705.db2.gz PBQDWRJCXNAMGA-UHFFFAOYSA-N -1 3 390.524 3.332 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(C(=O)[O-])c(F)c1)CC2 ZINC000574220607 604423482 /nfs/dbraw/zinc/42/34/82/604423482.db2.gz MTWXHRLCSMXOCE-UHFFFAOYSA-N -1 3 389.423 3.151 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427726 607692119 /nfs/dbraw/zinc/69/21/19/607692119.db2.gz YOHXNSQGYJXWHY-QGZVFWFLSA-N -1 3 378.823 3.368 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427726 607692120 /nfs/dbraw/zinc/69/21/20/607692120.db2.gz YOHXNSQGYJXWHY-QGZVFWFLSA-N -1 3 378.823 3.368 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2cc(OC)c(OC)cc2C)c1 ZINC000652379705 604454053 /nfs/dbraw/zinc/45/40/53/604454053.db2.gz FTHAGKFLHSVGEF-FQEVSTJZSA-N -1 3 389.448 3.287 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN([C@H](C(=O)[O-])c1ccccc1F)CC2 ZINC000583327523 604472842 /nfs/dbraw/zinc/47/28/42/604472842.db2.gz RKLFFKZAWMGCMM-SFHVURJKSA-N -1 3 389.423 3.078 20 0 GGADHM O=C([O-])[C@@]1(F)CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000833100064 604482110 /nfs/dbraw/zinc/48/21/10/604482110.db2.gz NBTSROXEASGMPC-OAQYLSRUSA-N -1 3 386.423 3.093 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@H](C)CO1 ZINC000826244006 607695698 /nfs/dbraw/zinc/69/56/98/607695698.db2.gz DOSOOUATTPDRNQ-DNVCBOLYSA-N -1 3 377.448 3.086 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@H](C)CO1 ZINC000826244006 607695700 /nfs/dbraw/zinc/69/57/00/607695700.db2.gz DOSOOUATTPDRNQ-DNVCBOLYSA-N -1 3 377.448 3.086 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000826244707 607695802 /nfs/dbraw/zinc/69/58/02/607695802.db2.gz BDOIQFFEVYCPQE-UHFFFAOYSA-N -1 3 383.496 3.377 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000826244707 607695804 /nfs/dbraw/zinc/69/58/04/607695804.db2.gz BDOIQFFEVYCPQE-UHFFFAOYSA-N -1 3 383.496 3.377 20 0 GGADHM Cc1nc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c(C)s1 ZINC000826323728 607700009 /nfs/dbraw/zinc/70/00/09/607700009.db2.gz PGPDRRLYXGLOCF-UHFFFAOYSA-N -1 3 393.432 3.380 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1)C(=O)[O-] ZINC000833541257 604523372 /nfs/dbraw/zinc/52/33/72/604523372.db2.gz MTECPRPRFZDDKJ-HNNXBMFYSA-N -1 3 398.459 3.095 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Br)c(F)c1 ZINC000826250185 607696500 /nfs/dbraw/zinc/69/65/00/607696500.db2.gz OJMYNBMFAGJBCP-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Br)c(F)c1 ZINC000826250185 607696501 /nfs/dbraw/zinc/69/65/01/607696501.db2.gz OJMYNBMFAGJBCP-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830609251 604532357 /nfs/dbraw/zinc/53/23/57/604532357.db2.gz ZYKVFDLFCCRTHM-LJQANCHMSA-N -1 3 398.507 3.007 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000826094627 604533131 /nfs/dbraw/zinc/53/31/31/604533131.db2.gz BLBHECYRPXSHSK-LJQANCHMSA-N -1 3 387.524 3.498 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cn1 ZINC000827117634 604549462 /nfs/dbraw/zinc/54/94/62/604549462.db2.gz FYSLCLPYFGZMJS-QFIPXVFZSA-N -1 3 381.476 3.054 20 0 GGADHM CCOCCOCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000825599145 607698262 /nfs/dbraw/zinc/69/82/62/607698262.db2.gz ICVLZEGJDSYDFP-UHFFFAOYSA-N -1 3 395.463 3.289 20 0 GGADHM CCOCCOCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000825599145 607698263 /nfs/dbraw/zinc/69/82/63/607698263.db2.gz ICVLZEGJDSYDFP-UHFFFAOYSA-N -1 3 395.463 3.289 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550674 604559724 /nfs/dbraw/zinc/55/97/24/604559724.db2.gz YFEGQXKQGWVGFN-OXQOHEQNSA-N -1 3 381.476 3.062 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000826244971 607701622 /nfs/dbraw/zinc/70/16/22/607701622.db2.gz JONNKORFMHEMSU-IBGZPJMESA-N -1 3 391.475 3.039 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000826244971 607701624 /nfs/dbraw/zinc/70/16/24/607701624.db2.gz JONNKORFMHEMSU-IBGZPJMESA-N -1 3 391.475 3.039 20 0 GGADHM COc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)c1 ZINC000826217205 607702044 /nfs/dbraw/zinc/70/20/44/607702044.db2.gz BSUSRHWDQXXQDZ-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM COc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)c1 ZINC000826217205 607702045 /nfs/dbraw/zinc/70/20/45/607702045.db2.gz BSUSRHWDQXXQDZ-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833542824 604608605 /nfs/dbraw/zinc/60/86/05/604608605.db2.gz SVNILZSIAQFUQH-INIZCTEOSA-N -1 3 397.475 3.325 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000826245375 607702935 /nfs/dbraw/zinc/70/29/35/607702935.db2.gz VYVUVXAHMBTYLX-KRWDZBQOSA-N -1 3 375.432 3.053 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000826245375 607702936 /nfs/dbraw/zinc/70/29/36/607702936.db2.gz VYVUVXAHMBTYLX-KRWDZBQOSA-N -1 3 375.432 3.053 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000826244882 607703132 /nfs/dbraw/zinc/70/31/32/607703132.db2.gz GJQZBTLRSIPRKK-QZTJIDSGSA-N -1 3 381.480 3.319 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000826244882 607703134 /nfs/dbraw/zinc/70/31/34/607703134.db2.gz GJQZBTLRSIPRKK-QZTJIDSGSA-N -1 3 381.480 3.319 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000833542175 604620731 /nfs/dbraw/zinc/62/07/31/604620731.db2.gz QEMKBARDSCWEJB-INIZCTEOSA-N -1 3 388.508 3.199 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1)C(=O)[O-] ZINC000833540937 604623035 /nfs/dbraw/zinc/62/30/35/604623035.db2.gz LYEBRZDXPWFXOQ-OAHLLOKOSA-N -1 3 398.459 3.095 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC000833542193 604639342 /nfs/dbraw/zinc/63/93/42/604639342.db2.gz QHQBIVLNMZNSMS-HNNXBMFYSA-N -1 3 392.496 3.370 20 0 GGADHM Cc1cc(CNc2ccc(N3CCN(C)CC3)cc2)cc(C)c1OCC(=O)[O-] ZINC000832886877 604646819 /nfs/dbraw/zinc/64/68/19/604646819.db2.gz YKBOQUMNQJLFMM-UHFFFAOYSA-N -1 3 383.492 3.131 20 0 GGADHM O=C([O-])[C@H]1CC12CCN(Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000833771643 604649993 /nfs/dbraw/zinc/64/99/93/604649993.db2.gz LWDPPTXHLXPVKL-MRXNPFEDSA-N -1 3 390.281 3.322 20 0 GGADHM C[C@@H](C1CC1)N(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515186 604662771 /nfs/dbraw/zinc/66/27/71/604662771.db2.gz AYTGMZVKVMVQOP-JTSKRJEESA-N -1 3 392.499 3.325 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C)c(O)c2)c1-c1nnn[n-]1 ZINC000826231616 607707345 /nfs/dbraw/zinc/70/73/45/607707345.db2.gz RUUFKSRLYFYPGA-UHFFFAOYSA-N -1 3 382.449 3.127 20 0 GGADHM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(Cc2ccccc2C(=O)[O-])C1 ZINC000833389821 604678471 /nfs/dbraw/zinc/67/84/71/604678471.db2.gz XOJJHKZRIOXHNC-QGZVFWFLSA-N -1 3 385.464 3.119 20 0 GGADHM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(Cc2ccccc2C(=O)[O-])C1 ZINC000833389819 604678823 /nfs/dbraw/zinc/67/88/23/604678823.db2.gz XOJJHKZRIOXHNC-KRWDZBQOSA-N -1 3 385.464 3.119 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1O ZINC000826291258 607707912 /nfs/dbraw/zinc/70/79/12/607707912.db2.gz XAKGRPKJNMQBDX-UHFFFAOYSA-N -1 3 391.387 3.305 20 0 GGADHM O=C(Nc1ccc(O)cc1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826454698 607707976 /nfs/dbraw/zinc/70/79/76/607707976.db2.gz HNNDPYAHEPVIKU-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM O=C(Nc1ccc(O)cc1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826454698 607707977 /nfs/dbraw/zinc/70/79/77/607707977.db2.gz HNNDPYAHEPVIKU-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000824724021 607708149 /nfs/dbraw/zinc/70/81/49/607708149.db2.gz XIEQKEZYPIZMTP-SECBINFHSA-N -1 3 384.783 3.421 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000824724021 607708151 /nfs/dbraw/zinc/70/81/51/607708151.db2.gz XIEQKEZYPIZMTP-SECBINFHSA-N -1 3 384.783 3.421 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)cc1C)CCC2 ZINC000825750072 607708588 /nfs/dbraw/zinc/70/85/88/607708588.db2.gz KWBCVYADKDBEKG-OAHLLOKOSA-N -1 3 382.493 3.344 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)cc1C)CCC2 ZINC000825750072 607708590 /nfs/dbraw/zinc/70/85/90/607708590.db2.gz KWBCVYADKDBEKG-OAHLLOKOSA-N -1 3 382.493 3.344 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1coc(-c2c(F)cccc2F)n1 ZINC000826252555 607708979 /nfs/dbraw/zinc/70/89/79/607708979.db2.gz HTPXCRHRZOJEND-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1coc(-c2c(F)cccc2F)n1 ZINC000826252555 607708981 /nfs/dbraw/zinc/70/89/81/607708981.db2.gz HTPXCRHRZOJEND-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM C[C@@H](CN(CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1)C(=O)[O-] ZINC000827449674 604745055 /nfs/dbraw/zinc/74/50/55/604745055.db2.gz NPMKELHUNUBZPJ-JTSKRJEESA-N -1 3 392.499 3.346 20 0 GGADHM C[C@@H](CN(CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1)C(=O)[O-] ZINC000827449673 604745437 /nfs/dbraw/zinc/74/54/37/604745437.db2.gz NPMKELHUNUBZPJ-HTAPYJJXSA-N -1 3 392.499 3.346 20 0 GGADHM C[C@@H]1CN([C@@H](CNCc2ccc(C(=O)[O-])cc2F)c2cccs2)CCO1 ZINC000833619092 604757118 /nfs/dbraw/zinc/75/71/18/604757118.db2.gz AWTQIJNLMGZDBQ-DYVFJYSZSA-N -1 3 378.469 3.137 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCOc1ccccc1C(C)C ZINC000826185598 607712836 /nfs/dbraw/zinc/71/28/36/607712836.db2.gz OIURYBUVNKCVHV-UHFFFAOYSA-N -1 3 381.436 3.406 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1ccccc1C(C)C ZINC000826185598 607712838 /nfs/dbraw/zinc/71/28/38/607712838.db2.gz OIURYBUVNKCVHV-UHFFFAOYSA-N -1 3 381.436 3.406 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000826004613 604769331 /nfs/dbraw/zinc/76/93/31/604769331.db2.gz DKYOVRCJNVPHNB-KKSFZXQISA-N -1 3 395.503 3.293 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833615357 604770307 /nfs/dbraw/zinc/77/03/07/604770307.db2.gz BONWTJUAGMKSDS-GOSISDBHSA-N -1 3 380.488 3.440 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC000833544499 604772854 /nfs/dbraw/zinc/77/28/54/604772854.db2.gz YTKSLUUARCEPSA-YQQAZPJKSA-N -1 3 392.496 3.416 20 0 GGADHM Cc1ccc(CN2CCCC2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000832932230 604772782 /nfs/dbraw/zinc/77/27/82/604772782.db2.gz DTUKCMRKLSZIIY-UHFFFAOYSA-N -1 3 388.489 3.398 20 0 GGADHM CCc1[nH]c(C(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)c(C)c1C(=O)[O-] ZINC000833666991 604779883 /nfs/dbraw/zinc/77/98/83/604779883.db2.gz BYYONWVEWLKSDM-GOSISDBHSA-N -1 3 399.491 3.159 20 0 GGADHM CN(C)Cc1cccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000830619403 604782689 /nfs/dbraw/zinc/78/26/89/604782689.db2.gz FRRJUCPANXRRPS-UHFFFAOYSA-N -1 3 381.476 3.163 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082083 607714943 /nfs/dbraw/zinc/71/49/43/607714943.db2.gz PZNVAJOYBGEBJD-CQSZACIVSA-N -1 3 394.431 3.185 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082083 607714945 /nfs/dbraw/zinc/71/49/45/607714945.db2.gz PZNVAJOYBGEBJD-CQSZACIVSA-N -1 3 394.431 3.185 20 0 GGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000829142673 604797902 /nfs/dbraw/zinc/79/79/02/604797902.db2.gz VTGREWLZEFPILR-DQYPLSBCSA-N -1 3 387.307 3.162 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547261 604809092 /nfs/dbraw/zinc/80/90/92/604809092.db2.gz AHGVESQXMQASKE-HRAATJIYSA-N -1 3 393.487 3.288 20 0 GGADHM C[C@@]1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569863 604817171 /nfs/dbraw/zinc/81/71/71/604817171.db2.gz PRRSXZJLJMUUOA-OXJNMPFZSA-N -1 3 387.505 3.196 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000833600589 604841508 /nfs/dbraw/zinc/84/15/08/604841508.db2.gz MDAQVGADFHJMTR-IERDGZPVSA-N -1 3 393.487 3.116 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417223 604857897 /nfs/dbraw/zinc/85/78/97/604857897.db2.gz NELLUQWYEADMKQ-IEBWSBKVSA-N -1 3 394.471 3.295 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417227 604857945 /nfs/dbraw/zinc/85/79/45/604857945.db2.gz NELLUQWYEADMKQ-PKOBYXMFSA-N -1 3 394.471 3.295 20 0 GGADHM C[C@@H](OC(=O)CC1CCC(C)(C)CC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713981 607719864 /nfs/dbraw/zinc/71/98/64/607719864.db2.gz LTILEEDIULEDSC-CYBMUJFWSA-N -1 3 385.468 3.343 20 0 GGADHM C[C@@H](OC(=O)CC1CCC(C)(C)CC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713981 607719867 /nfs/dbraw/zinc/71/98/67/607719867.db2.gz LTILEEDIULEDSC-CYBMUJFWSA-N -1 3 385.468 3.343 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@@H]2CCCc3sccc32)CCCN(Cc2ccccc2)C1 ZINC000833128330 604887517 /nfs/dbraw/zinc/88/75/17/604887517.db2.gz DFBNQAFXLCMMGJ-GCJKJVERSA-N -1 3 398.528 3.404 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2CCCc3sccc32)CCCN(Cc2ccccc2)C1 ZINC000833128331 604887790 /nfs/dbraw/zinc/88/77/90/604887790.db2.gz DFBNQAFXLCMMGJ-PGRDOPGGSA-N -1 3 398.528 3.404 20 0 GGADHM Cc1nnc(Sc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c(C)c2)s1 ZINC000826337499 607721061 /nfs/dbraw/zinc/72/10/61/607721061.db2.gz QNRBTYVLYSNGJV-UHFFFAOYSA-N -1 3 398.477 3.067 20 0 GGADHM Cc1nnc(Sc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c(C)c2)s1 ZINC000826337499 607721063 /nfs/dbraw/zinc/72/10/63/607721063.db2.gz QNRBTYVLYSNGJV-UHFFFAOYSA-N -1 3 398.477 3.067 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc(OC)c1 ZINC000829666787 604924677 /nfs/dbraw/zinc/92/46/77/604924677.db2.gz SHRZYYZCJHYNCA-LJQANCHMSA-N -1 3 388.439 3.345 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CN1Cc1ccccc1 ZINC000833599317 604926547 /nfs/dbraw/zinc/92/65/47/604926547.db2.gz DBXVGWXPPQRZMK-XJKSGUPXSA-N -1 3 393.447 3.046 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000833420270 604940380 /nfs/dbraw/zinc/94/03/80/604940380.db2.gz PSPXPCHQBKZQJS-OAHLLOKOSA-N -1 3 387.505 3.232 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000833552253 604942235 /nfs/dbraw/zinc/94/22/35/604942235.db2.gz ZTGQJLQYNFEGJM-INIZCTEOSA-N -1 3 381.476 3.054 20 0 GGADHM CC(C)OCc1cccc(CNC(=O)CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833506018 604943693 /nfs/dbraw/zinc/94/36/93/604943693.db2.gz ZZUFNRNTDZNUHA-LJQANCHMSA-N -1 3 390.524 3.051 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)C2=O)c1 ZINC000833749426 604948510 /nfs/dbraw/zinc/94/85/10/604948510.db2.gz LKGAYSVVRIOZFX-WBVHZDCISA-N -1 3 376.472 3.452 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC000833419961 604952544 /nfs/dbraw/zinc/95/25/44/604952544.db2.gz LFZFYALVDJABCA-LBPRGKRZSA-N -1 3 380.286 3.420 20 0 GGADHM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CCN(C)[C@@H](C)c1ccco1 ZINC000831230436 604967865 /nfs/dbraw/zinc/96/78/65/604967865.db2.gz BIWLDFSVTAGPSJ-NSHDSACASA-N -1 3 394.449 3.156 20 0 GGADHM COC(=O)c1sc(NC(=O)CCN(C)[C@@H](C)c2ccco2)c(C(=O)[O-])c1C ZINC000831475615 604967870 /nfs/dbraw/zinc/96/78/70/604967870.db2.gz NNKQJNLSERUCCO-NSHDSACASA-N -1 3 394.449 3.156 20 0 GGADHM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CCN(C)[C@H](C)c1ccco1 ZINC000831230435 604967896 /nfs/dbraw/zinc/96/78/96/604967896.db2.gz BIWLDFSVTAGPSJ-LLVKDONJSA-N -1 3 394.449 3.156 20 0 GGADHM CN(C(=O)CN1CCC[C@H]1CC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000833684568 604968492 /nfs/dbraw/zinc/96/84/92/604968492.db2.gz JELZUUDQNSKZTC-UGKGYDQZSA-N -1 3 384.451 3.313 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000827949668 604968915 /nfs/dbraw/zinc/96/89/15/604968915.db2.gz MHNOMGDEHZZKEV-UKRRQHHQSA-N -1 3 388.493 3.117 20 0 GGADHM O=C([O-])CCc1csc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000833239544 604970752 /nfs/dbraw/zinc/97/07/52/604970752.db2.gz HWVYMKOMFXNFQE-MRXNPFEDSA-N -1 3 388.493 3.119 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000833415988 604974055 /nfs/dbraw/zinc/97/40/55/604974055.db2.gz WAGSTRAZLGBUAI-OALUTQOASA-N -1 3 387.524 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000833413695 604975924 /nfs/dbraw/zinc/97/59/24/604975924.db2.gz FILYEJQKEQWARP-RBUKOAKNSA-N -1 3 387.524 3.356 20 0 GGADHM CC[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825081498 607726579 /nfs/dbraw/zinc/72/65/79/607726579.db2.gz KFFAUIXSMMJLFN-ZDUSSCGKSA-N -1 3 383.427 3.215 20 0 GGADHM CC[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825081498 607726581 /nfs/dbraw/zinc/72/65/81/607726581.db2.gz KFFAUIXSMMJLFN-ZDUSSCGKSA-N -1 3 383.427 3.215 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000833417278 604985405 /nfs/dbraw/zinc/98/54/05/604985405.db2.gz OEPBWYLXMSXWII-MOPGFXCFSA-N -1 3 387.524 3.183 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000832967692 604991251 /nfs/dbraw/zinc/99/12/51/604991251.db2.gz ODRLRFXDGXZLIN-UHFFFAOYSA-N -1 3 390.509 3.064 20 0 GGADHM CCc1ccc([C@@H](C)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)s1 ZINC000833670611 605004139 /nfs/dbraw/zinc/00/41/39/605004139.db2.gz OSEKEAMXXCTQOU-CYBMUJFWSA-N -1 3 381.519 3.161 20 0 GGADHM CCc1ccc([C@H](C)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1 ZINC000833671274 605004258 /nfs/dbraw/zinc/00/42/58/605004258.db2.gz VXCSHVPQJDRKBV-HNNXBMFYSA-N -1 3 375.490 3.099 20 0 GGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826233728 607729819 /nfs/dbraw/zinc/72/98/19/607729819.db2.gz TUMZCXCYDZKUOI-UHFFFAOYSA-N -1 3 395.806 3.350 20 0 GGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826233728 607729821 /nfs/dbraw/zinc/72/98/21/607729821.db2.gz TUMZCXCYDZKUOI-UHFFFAOYSA-N -1 3 395.806 3.350 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2ccc(C)c(C)c2)cc(C(=O)[O-])c1 ZINC000833714700 605071030 /nfs/dbraw/zinc/07/10/30/605071030.db2.gz JJXULXBDBNKANQ-AWEZNQCLSA-N -1 3 384.432 3.078 20 0 GGADHM C[C@H]1CN([C@@H](CNCc2ccoc2C(=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000833625002 605074511 /nfs/dbraw/zinc/07/45/11/605074511.db2.gz MQRMMHNRMPFHAM-LRDDRELGSA-N -1 3 396.846 3.322 20 0 GGADHM C[C@@H]1CN([C@H](CNCc2ccc(C(=O)[O-])o2)c2c(F)cccc2Cl)CCO1 ZINC000833625024 605074666 /nfs/dbraw/zinc/07/46/66/605074666.db2.gz MXGQRVIOUFKODH-MLGOLLRUSA-N -1 3 396.846 3.322 20 0 GGADHM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1OCC(=O)N(C)C ZINC000833645512 605079388 /nfs/dbraw/zinc/07/93/88/605079388.db2.gz WBERLOQLAKTJOX-HNNXBMFYSA-N -1 3 376.478 3.154 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](c2ccccc2C)C2CC2)cc(C(=O)[O-])c1 ZINC000833715791 605080653 /nfs/dbraw/zinc/08/06/53/605080653.db2.gz ZEQSMXOERMZVTL-HXUWFJFHSA-N -1 3 396.443 3.159 20 0 GGADHM CC[C@@H](NCc1cc(C(=O)[O-])sc1C)c1ccccc1OCC(=O)NC ZINC000833645538 605081455 /nfs/dbraw/zinc/08/14/55/605081455.db2.gz WJTJPHCUOHJPNF-OAHLLOKOSA-N -1 3 376.478 3.120 20 0 GGADHM CC[C@@H](NCc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccc2c(c1)OCCO2 ZINC000833643862 605097818 /nfs/dbraw/zinc/09/78/18/605097818.db2.gz IQTJMOZKUKFMGR-QGZVFWFLSA-N -1 3 385.416 3.184 20 0 GGADHM CCC(CC)(CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(=O)[O-] ZINC000424464561 605098680 /nfs/dbraw/zinc/09/86/80/605098680.db2.gz DUAPQADZAHMPLX-UHFFFAOYSA-N -1 3 393.553 3.290 20 0 GGADHM CCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000833651715 605108319 /nfs/dbraw/zinc/10/83/19/605108319.db2.gz WTZVNLQHKWDRSW-HXUWFJFHSA-N -1 3 381.476 3.297 20 0 GGADHM O[C@H]1C[C@H](c2cc(F)ccc2F)N(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826506531 607734837 /nfs/dbraw/zinc/73/48/37/607734837.db2.gz WLNLXYCXLTVBAE-MEDUHNTESA-N -1 3 377.782 3.111 20 0 GGADHM O[C@H]1C[C@H](c2cc(F)ccc2F)N(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826506531 607734838 /nfs/dbraw/zinc/73/48/38/607734838.db2.gz WLNLXYCXLTVBAE-MEDUHNTESA-N -1 3 377.782 3.111 20 0 GGADHM CC(C)(CC(=O)[O-])CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000833454755 605110860 /nfs/dbraw/zinc/11/08/60/605110860.db2.gz NQSJXAZXJBRMTH-QGZVFWFLSA-N -1 3 384.480 3.160 20 0 GGADHM COc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2OC)cc1 ZINC000826189292 607736102 /nfs/dbraw/zinc/73/61/02/607736102.db2.gz RZUBCCWDQRQIAA-HXUWFJFHSA-N -1 3 388.431 3.480 20 0 GGADHM COc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2OC)cc1 ZINC000826189292 607736103 /nfs/dbraw/zinc/73/61/03/607736103.db2.gz RZUBCCWDQRQIAA-HXUWFJFHSA-N -1 3 388.431 3.480 20 0 GGADHM CN(C(=O)CN[C@H](c1ccccc1)C1CCOCC1)c1ccccc1C(=O)[O-] ZINC000833685971 605140179 /nfs/dbraw/zinc/14/01/79/605140179.db2.gz NZMMHIQDPDIJPY-OAQYLSRUSA-N -1 3 382.460 3.105 20 0 GGADHM CC(C)COc1ccc([C@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833490574 605173093 /nfs/dbraw/zinc/17/30/93/605173093.db2.gz IHGCTIIZAURDSV-JKSUJKDBSA-N -1 3 376.497 3.084 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000833412370 605174741 /nfs/dbraw/zinc/17/47/41/605174741.db2.gz JQMVGGRXPQJZMN-YLJYHZDGSA-N -1 3 382.460 3.068 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000833411720 605182028 /nfs/dbraw/zinc/18/20/28/605182028.db2.gz DBTBXXMNBXCNJR-LJQANCHMSA-N -1 3 388.895 3.440 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000833411714 605182099 /nfs/dbraw/zinc/18/20/99/605182099.db2.gz CZEZPZMQMRCNCY-SFHVURJKSA-N -1 3 376.403 3.023 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1cccc2nsnc21)c1ccccc1 ZINC000833415119 605182777 /nfs/dbraw/zinc/18/27/77/605182777.db2.gz VAXHKNBANRDMIF-KRWDZBQOSA-N -1 3 384.461 3.072 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 ZINC000833413990 605182822 /nfs/dbraw/zinc/18/28/22/605182822.db2.gz PKBNCCHLASPVED-HXUWFJFHSA-N -1 3 379.460 3.065 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000833416014 605183614 /nfs/dbraw/zinc/18/36/14/605183614.db2.gz ZBOIJQZUWWVRNZ-ZBFHGGJFSA-N -1 3 386.414 3.229 20 0 GGADHM Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cn2)c1C ZINC000826301103 607739915 /nfs/dbraw/zinc/73/99/15/607739915.db2.gz QWVSQPBSXCAUCU-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cn2)c1C ZINC000826301103 607739916 /nfs/dbraw/zinc/73/99/16/607739916.db2.gz QWVSQPBSXCAUCU-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000833628712 605197533 /nfs/dbraw/zinc/19/75/33/605197533.db2.gz ODSLAGLYPBOKRU-GOSISDBHSA-N -1 3 384.476 3.339 20 0 GGADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[NH2+][C@@H](C)c1ccccc1 ZINC000833477687 605202028 /nfs/dbraw/zinc/20/20/28/605202028.db2.gz LWNMSCREOLODJW-WMLDXEAASA-N -1 3 394.493 3.022 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(CCOc2ccccc2C(=O)[O-])C1 ZINC000833442053 605206895 /nfs/dbraw/zinc/20/68/95/605206895.db2.gz MHWYPQUOOVXQIW-OAHLLOKOSA-N -1 3 378.469 3.000 20 0 GGADHM C[C@](CO)(NCCOc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833520004 605211023 /nfs/dbraw/zinc/21/10/23/605211023.db2.gz ZKJHEISCDOFTTG-GOSISDBHSA-N -1 3 383.366 3.280 20 0 GGADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826281166 607741080 /nfs/dbraw/zinc/74/10/80/607741080.db2.gz HEOOFRIFRKNOGP-UHFFFAOYSA-N -1 3 376.424 3.065 20 0 GGADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826281166 607741081 /nfs/dbraw/zinc/74/10/81/607741081.db2.gz HEOOFRIFRKNOGP-UHFFFAOYSA-N -1 3 376.424 3.065 20 0 GGADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826316171 607741538 /nfs/dbraw/zinc/74/15/38/607741538.db2.gz GEGALHCMAGVMFZ-INIZCTEOSA-N -1 3 378.461 3.279 20 0 GGADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826316171 607741539 /nfs/dbraw/zinc/74/15/39/607741539.db2.gz GEGALHCMAGVMFZ-INIZCTEOSA-N -1 3 378.461 3.279 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccccc1 ZINC000833411480 605241664 /nfs/dbraw/zinc/24/16/64/605241664.db2.gz OKTWQNWUCPPQIS-KKSFZXQISA-N -1 3 396.491 3.062 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833417844 605244615 /nfs/dbraw/zinc/24/46/15/605244615.db2.gz YVLCYNKBYLYTHN-MLGOLLRUSA-N -1 3 382.863 3.407 20 0 GGADHM O=C([O-])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cn1 ZINC000833782970 605249385 /nfs/dbraw/zinc/24/93/85/605249385.db2.gz SBLRKBCCLWLLGE-GOSISDBHSA-N -1 3 393.365 3.173 20 0 GGADHM C[C@@H](Oc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)cc1)C(=O)[O-] ZINC000833540532 605255189 /nfs/dbraw/zinc/25/51/89/605255189.db2.gz LWQSWQLZVFIMRJ-MRXNPFEDSA-N -1 3 382.460 3.064 20 0 GGADHM CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC000833659620 605266480 /nfs/dbraw/zinc/26/64/80/605266480.db2.gz DDQVDRQOVDYUAJ-ARFHVFGLSA-N -1 3 387.398 3.083 20 0 GGADHM CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC000833659622 605266519 /nfs/dbraw/zinc/26/65/19/605266519.db2.gz DDQVDRQOVDYUAJ-OAGGEKHMSA-N -1 3 387.398 3.083 20 0 GGADHM C[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000824401303 607745347 /nfs/dbraw/zinc/74/53/47/607745347.db2.gz PTGRLCAHSYBKLS-SNVBAGLBSA-N -1 3 378.358 3.137 20 0 GGADHM C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000824401303 607745348 /nfs/dbraw/zinc/74/53/48/607745348.db2.gz PTGRLCAHSYBKLS-SNVBAGLBSA-N -1 3 378.358 3.137 20 0 GGADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824801164 607747730 /nfs/dbraw/zinc/74/77/30/607747730.db2.gz CMWVTOUHHBVCAO-INIZCTEOSA-N -1 3 394.483 3.052 20 0 GGADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824801164 607747731 /nfs/dbraw/zinc/74/77/31/607747731.db2.gz CMWVTOUHHBVCAO-INIZCTEOSA-N -1 3 394.483 3.052 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000833614606 605297519 /nfs/dbraw/zinc/29/75/19/605297519.db2.gz QIKBGFXVMLWNDF-YJBOKZPZSA-N -1 3 392.496 3.275 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccc(OCC(=O)[O-])cc2)C2CC2)C1 ZINC000833436197 605298772 /nfs/dbraw/zinc/29/87/72/605298772.db2.gz FZYMGDCYBIWJJY-KRWDZBQOSA-N -1 3 390.480 3.124 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833599325 605299254 /nfs/dbraw/zinc/29/92/54/605299254.db2.gz DGMHBAPQLORHTH-GDBMZVCRSA-N -1 3 378.469 3.028 20 0 GGADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)c(F)cc1F ZINC000826242878 607747248 /nfs/dbraw/zinc/74/72/48/607747248.db2.gz KIOHDFXTYQOJTB-UHFFFAOYSA-N -1 3 387.375 3.157 20 0 GGADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)c(F)cc1F ZINC000826242878 607747249 /nfs/dbraw/zinc/74/72/49/607747249.db2.gz KIOHDFXTYQOJTB-UHFFFAOYSA-N -1 3 387.375 3.157 20 0 GGADHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833650228 605361899 /nfs/dbraw/zinc/36/18/99/605361899.db2.gz YKHDJSWTSJKMRQ-XQAQDONZSA-N -1 3 382.863 3.232 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@]3(C)CCO[C@@H]3C3CC3)c2C(=O)[O-])C1 ZINC000833617279 605447761 /nfs/dbraw/zinc/44/77/61/605447761.db2.gz QRPHEXXISABZAQ-CZYCVGMRSA-N -1 3 392.521 3.057 20 0 GGADHM CC(C)Oc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC000824318927 607757508 /nfs/dbraw/zinc/75/75/08/607757508.db2.gz AQOIIARSNHOARI-UHFFFAOYSA-N -1 3 387.831 3.024 20 0 GGADHM CC(C)Oc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC000824318927 607757509 /nfs/dbraw/zinc/75/75/09/607757509.db2.gz AQOIIARSNHOARI-UHFFFAOYSA-N -1 3 387.831 3.024 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(C2CCOCC2)CC1 ZINC000826452393 607758131 /nfs/dbraw/zinc/75/81/31/607758131.db2.gz ROVSVRULVKTJJU-UHFFFAOYSA-N -1 3 390.875 3.191 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(C2CCOCC2)CC1 ZINC000826452393 607758132 /nfs/dbraw/zinc/75/81/32/607758132.db2.gz ROVSVRULVKTJJU-UHFFFAOYSA-N -1 3 390.875 3.191 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC000824918696 607758200 /nfs/dbraw/zinc/75/82/00/607758200.db2.gz QTKSHAXWEWKVKZ-XIKOKIGWSA-N -1 3 380.427 3.444 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC000824918696 607758201 /nfs/dbraw/zinc/75/82/01/607758201.db2.gz QTKSHAXWEWKVKZ-XIKOKIGWSA-N -1 3 380.427 3.444 20 0 GGADHM O=C(NCc1ncccc1F)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826443854 607758823 /nfs/dbraw/zinc/75/88/23/607758823.db2.gz GUARETGZQJCYEP-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM O=C(NCc1ncccc1F)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826443854 607758824 /nfs/dbraw/zinc/75/88/24/607758824.db2.gz GUARETGZQJCYEP-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000825530806 607760018 /nfs/dbraw/zinc/76/00/18/607760018.db2.gz FSUQIHHVMMVUIG-UHFFFAOYSA-N -1 3 394.435 3.315 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000825530806 607760019 /nfs/dbraw/zinc/76/00/19/607760019.db2.gz FSUQIHHVMMVUIG-UHFFFAOYSA-N -1 3 394.435 3.315 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000825524018 607760166 /nfs/dbraw/zinc/76/01/66/607760166.db2.gz YMRNYXYLNZFHNJ-NSHDSACASA-N -1 3 398.398 3.316 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000825524018 607760167 /nfs/dbraw/zinc/76/01/67/607760167.db2.gz YMRNYXYLNZFHNJ-NSHDSACASA-N -1 3 398.398 3.316 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccccc2C)cc1-c1nnn[n-]1 ZINC000825532908 607760342 /nfs/dbraw/zinc/76/03/42/607760342.db2.gz ZQOZLVXVOYDHPR-UHFFFAOYSA-N -1 3 394.435 3.315 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccccc2C)cc1-c1nn[n-]n1 ZINC000825532908 607760343 /nfs/dbraw/zinc/76/03/43/607760343.db2.gz ZQOZLVXVOYDHPR-UHFFFAOYSA-N -1 3 394.435 3.315 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)CC)cc1-c1nnn[n-]1 ZINC000825539502 607765472 /nfs/dbraw/zinc/76/54/72/607765472.db2.gz PWECTOGULIGEJQ-RYUDHWBXSA-N -1 3 389.460 3.381 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)CC)cc1-c1nn[n-]n1 ZINC000825539502 607765473 /nfs/dbraw/zinc/76/54/73/607765473.db2.gz PWECTOGULIGEJQ-RYUDHWBXSA-N -1 3 389.460 3.381 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826338836 607765782 /nfs/dbraw/zinc/76/57/82/607765782.db2.gz JMUJCTVNCJTEDG-NSHDSACASA-N -1 3 399.455 3.184 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826338836 607765783 /nfs/dbraw/zinc/76/57/83/607765783.db2.gz JMUJCTVNCJTEDG-NSHDSACASA-N -1 3 399.455 3.184 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1-c1nnn[n-]1 ZINC000825539104 607766545 /nfs/dbraw/zinc/76/65/45/607766545.db2.gz MRYFGPHCJHXOBX-INIZCTEOSA-N -1 3 399.455 3.232 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1-c1nn[n-]n1 ZINC000825539104 607766546 /nfs/dbraw/zinc/76/65/46/607766546.db2.gz MRYFGPHCJHXOBX-INIZCTEOSA-N -1 3 399.455 3.232 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(CC)Cc2ccoc2)cc1-c1nnn[n-]1 ZINC000825530018 607766575 /nfs/dbraw/zinc/76/65/75/607766575.db2.gz AJHPMFRXYYLSJB-UHFFFAOYSA-N -1 3 399.411 3.082 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(CC)Cc2ccoc2)cc1-c1nn[n-]n1 ZINC000825530018 607766576 /nfs/dbraw/zinc/76/65/76/607766576.db2.gz AJHPMFRXYYLSJB-UHFFFAOYSA-N -1 3 399.411 3.082 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000825539661 607767424 /nfs/dbraw/zinc/76/74/24/607767424.db2.gz RARUXKOCAKRQCM-CHWSQXEVSA-N -1 3 399.455 3.089 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000825539661 607767425 /nfs/dbraw/zinc/76/74/25/607767425.db2.gz RARUXKOCAKRQCM-CHWSQXEVSA-N -1 3 399.455 3.089 20 0 GGADHM CCc1ccc(NC(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825712951 607768771 /nfs/dbraw/zinc/76/87/71/607768771.db2.gz XSTUMLJIRKKIQT-UHFFFAOYSA-N -1 3 398.442 3.249 20 0 GGADHM CCc1ccc(NC(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825712951 607768772 /nfs/dbraw/zinc/76/87/72/607768772.db2.gz XSTUMLJIRKKIQT-UHFFFAOYSA-N -1 3 398.442 3.249 20 0 GGADHM CC(=O)C(C)(C)CCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823962938 607769243 /nfs/dbraw/zinc/76/92/43/607769243.db2.gz SUAKBJRWIVTTJS-UHFFFAOYSA-N -1 3 384.465 3.324 20 0 GGADHM CC(=O)C(C)(C)CCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823962938 607769244 /nfs/dbraw/zinc/76/92/44/607769244.db2.gz SUAKBJRWIVTTJS-UHFFFAOYSA-N -1 3 384.465 3.324 20 0 GGADHM Cc1noc(C)c1CCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826339105 607769520 /nfs/dbraw/zinc/76/95/20/607769520.db2.gz RHAFWGGUDMEAMW-UHFFFAOYSA-N -1 3 395.448 3.166 20 0 GGADHM Cc1noc(C)c1CCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826339105 607769521 /nfs/dbraw/zinc/76/95/21/607769521.db2.gz RHAFWGGUDMEAMW-UHFFFAOYSA-N -1 3 395.448 3.166 20 0 GGADHM O=C(CC[C@H]1CCCCO1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826405863 607769852 /nfs/dbraw/zinc/76/98/52/607769852.db2.gz WZGWGMDPFMYGQL-CQSZACIVSA-N -1 3 384.465 3.278 20 0 GGADHM O=C(CC[C@H]1CCCCO1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826405863 607769853 /nfs/dbraw/zinc/76/98/53/607769853.db2.gz WZGWGMDPFMYGQL-CQSZACIVSA-N -1 3 384.465 3.278 20 0 GGADHM O=C(Cc1cccc(F)c1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423332 607770959 /nfs/dbraw/zinc/77/09/59/607770959.db2.gz KBJFHPYYZGOXNI-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM O=C(Cc1cccc(F)c1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423332 607770960 /nfs/dbraw/zinc/77/09/60/607770960.db2.gz KBJFHPYYZGOXNI-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM Cc1nc(C)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000826324373 607771463 /nfs/dbraw/zinc/77/14/63/607771463.db2.gz OPEQVSOQEAAETJ-UHFFFAOYSA-N -1 3 383.462 3.316 20 0 GGADHM Cc1nc(C)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000826324373 607771464 /nfs/dbraw/zinc/77/14/64/607771464.db2.gz OPEQVSOQEAAETJ-UHFFFAOYSA-N -1 3 383.462 3.316 20 0 GGADHM O=C([O-])Nc1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000833287609 605706098 /nfs/dbraw/zinc/70/60/98/605706098.db2.gz KIMSAWJRSRUEKP-UHFFFAOYSA-N -1 3 383.448 3.233 20 0 GGADHM C[C@@H](Nc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820461587 606025464 /nfs/dbraw/zinc/02/54/64/606025464.db2.gz NKPIFCLIXIUCLO-CYBMUJFWSA-N -1 3 383.419 3.169 20 0 GGADHM C[C@@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820461587 606025469 /nfs/dbraw/zinc/02/54/69/606025469.db2.gz NKPIFCLIXIUCLO-CYBMUJFWSA-N -1 3 383.419 3.169 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820385437 606025985 /nfs/dbraw/zinc/02/59/85/606025985.db2.gz RYCUHRJJOVTMBP-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820385437 606025991 /nfs/dbraw/zinc/02/59/91/606025991.db2.gz RYCUHRJJOVTMBP-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM CN(Cc1ccn(-c2ccccc2)n1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821615644 606050090 /nfs/dbraw/zinc/05/00/90/606050090.db2.gz HCEJZJSTFCQEAU-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM CN(Cc1ccn(-c2ccccc2)n1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821615644 606050095 /nfs/dbraw/zinc/05/00/95/606050095.db2.gz HCEJZJSTFCQEAU-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM c1c(CNc2ccc(-c3nnn[n-]3)nc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000823772680 606066277 /nfs/dbraw/zinc/06/62/77/606066277.db2.gz LTDRTFNTGUKUFC-UHFFFAOYSA-N -1 3 395.430 3.122 20 0 GGADHM c1c(CNc2ccc(-c3nn[n-]n3)nc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000823772680 606066282 /nfs/dbraw/zinc/06/62/82/606066282.db2.gz LTDRTFNTGUKUFC-UHFFFAOYSA-N -1 3 395.430 3.122 20 0 GGADHM COc1cccc(N2CC[C@@H](Nc3nc4ccccc4cc3-c3nnn[n-]3)C2)c1 ZINC000821873784 606069997 /nfs/dbraw/zinc/06/99/97/606069997.db2.gz YDSZFIIBYCRYPF-OAHLLOKOSA-N -1 3 387.447 3.114 20 0 GGADHM COc1cccc(N2CC[C@@H](Nc3nc4ccccc4cc3-c3nn[n-]n3)C2)c1 ZINC000821873784 606070003 /nfs/dbraw/zinc/07/00/03/606070003.db2.gz YDSZFIIBYCRYPF-OAHLLOKOSA-N -1 3 387.447 3.114 20 0 GGADHM Fc1cc([C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)c(Cl)cc1Cl ZINC000822748083 606078555 /nfs/dbraw/zinc/07/85/55/606078555.db2.gz GSGCDXIBZUSMHA-OAHLLOKOSA-N -1 3 395.225 3.286 20 0 GGADHM Fc1cc([C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)c(Cl)cc1Cl ZINC000822748083 606078561 /nfs/dbraw/zinc/07/85/61/606078561.db2.gz GSGCDXIBZUSMHA-OAHLLOKOSA-N -1 3 395.225 3.286 20 0 GGADHM CC(C)(C)[C@@H](NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)F ZINC000819899200 606087416 /nfs/dbraw/zinc/08/74/16/606087416.db2.gz OXSLHAMHCVHRGD-CYBMUJFWSA-N -1 3 390.797 3.025 20 0 GGADHM CC(C)(C)[C@@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)F ZINC000819899200 606087421 /nfs/dbraw/zinc/08/74/21/606087421.db2.gz OXSLHAMHCVHRGD-CYBMUJFWSA-N -1 3 390.797 3.025 20 0 GGADHM Cc1ccc(OCCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822263689 606102937 /nfs/dbraw/zinc/10/29/37/606102937.db2.gz WTDPXCBAVBWKLW-UHFFFAOYSA-N -1 3 379.464 3.301 20 0 GGADHM Cc1ccc(OCCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822263689 606102939 /nfs/dbraw/zinc/10/29/39/606102939.db2.gz WTDPXCBAVBWKLW-UHFFFAOYSA-N -1 3 379.464 3.301 20 0 GGADHM Cc1ccc(CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)o1 ZINC000822235208 606103070 /nfs/dbraw/zinc/10/30/70/606103070.db2.gz XIJDXJGCTWUSMY-UHFFFAOYSA-N -1 3 393.369 3.292 20 0 GGADHM Cc1ccc(CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)o1 ZINC000822235208 606103073 /nfs/dbraw/zinc/10/30/73/606103073.db2.gz XIJDXJGCTWUSMY-UHFFFAOYSA-N -1 3 393.369 3.292 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000820533999 606105955 /nfs/dbraw/zinc/10/59/55/606105955.db2.gz IORZOLINFOIIOD-CYBMUJFWSA-N -1 3 377.404 3.039 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000820533999 606105956 /nfs/dbraw/zinc/10/59/56/606105956.db2.gz IORZOLINFOIIOD-CYBMUJFWSA-N -1 3 377.404 3.039 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)c(-c2nnn[n-]2)c1C ZINC000822557529 606108385 /nfs/dbraw/zinc/10/83/85/606108385.db2.gz IUAQRHQBIHNNHI-OAHLLOKOSA-N -1 3 398.492 3.026 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)c(-c2nn[n-]n2)c1C ZINC000822557529 606108386 /nfs/dbraw/zinc/10/83/86/606108386.db2.gz IUAQRHQBIHNNHI-OAHLLOKOSA-N -1 3 398.492 3.026 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1Cn1cccn1 ZINC000823332450 606109260 /nfs/dbraw/zinc/10/92/60/606109260.db2.gz NHFMBVGJFJGHOA-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1Cn1cccn1 ZINC000823332450 606109262 /nfs/dbraw/zinc/10/92/62/606109262.db2.gz NHFMBVGJFJGHOA-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@@H](C)Cc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822559180 606111070 /nfs/dbraw/zinc/11/10/70/606111070.db2.gz XHTWVMQYUVZUTI-NSHDSACASA-N -1 3 382.493 3.182 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@@H](C)Cc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822559180 606111072 /nfs/dbraw/zinc/11/10/72/606111072.db2.gz XHTWVMQYUVZUTI-NSHDSACASA-N -1 3 382.493 3.182 20 0 GGADHM C[C@H](NC(=O)C1CC(OCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820320984 606121818 /nfs/dbraw/zinc/12/18/18/606121818.db2.gz AMPKJAQLPCYAON-YCMKEVRSSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@H](NC(=O)C1CC(OCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820320984 606121820 /nfs/dbraw/zinc/12/18/20/606121820.db2.gz AMPKJAQLPCYAON-YCMKEVRSSA-N -1 3 377.448 3.039 20 0 GGADHM Cc1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000822226557 606122563 /nfs/dbraw/zinc/12/25/63/606122563.db2.gz YEHHYUBIYPZMHD-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM Cc1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000822226557 606122564 /nfs/dbraw/zinc/12/25/64/606122564.db2.gz YEHHYUBIYPZMHD-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM CCO[C@@H](CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000821351260 606125254 /nfs/dbraw/zinc/12/52/54/606125254.db2.gz OCBFZGRHTLIEDP-KRWDZBQOSA-N -1 3 389.525 3.060 20 0 GGADHM CCO[C@@H](CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000821351260 606125255 /nfs/dbraw/zinc/12/52/55/606125255.db2.gz OCBFZGRHTLIEDP-KRWDZBQOSA-N -1 3 389.525 3.060 20 0 GGADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000819876728 606125980 /nfs/dbraw/zinc/12/59/80/606125980.db2.gz JEEWQZQZMXESJT-LLVKDONJSA-N -1 3 379.449 3.071 20 0 GGADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000819876728 606125981 /nfs/dbraw/zinc/12/59/81/606125981.db2.gz JEEWQZQZMXESJT-LLVKDONJSA-N -1 3 379.449 3.071 20 0 GGADHM Cc1csc([C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)n1 ZINC000822408931 606128746 /nfs/dbraw/zinc/12/87/46/606128746.db2.gz JCWCCHPKKRUEKD-LBPRGKRZSA-N -1 3 383.355 3.021 20 0 GGADHM Cc1csc([C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)n1 ZINC000822408931 606128749 /nfs/dbraw/zinc/12/87/49/606128749.db2.gz JCWCCHPKKRUEKD-LBPRGKRZSA-N -1 3 383.355 3.021 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823333182 606133392 /nfs/dbraw/zinc/13/33/92/606133392.db2.gz ZSMYYBORGALEGU-CRAIPNDOSA-N -1 3 396.426 3.126 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823333182 606133394 /nfs/dbraw/zinc/13/33/94/606133394.db2.gz ZSMYYBORGALEGU-CRAIPNDOSA-N -1 3 396.426 3.126 20 0 GGADHM CCCC[C@H](Cc1ccccn1)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821043013 606134510 /nfs/dbraw/zinc/13/45/10/606134510.db2.gz KKNZSTGDCDFXLS-HNAYVOBHSA-N -1 3 395.463 3.374 20 0 GGADHM C[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820497415 606134799 /nfs/dbraw/zinc/13/47/99/606134799.db2.gz RBKPVTCQOZSEKL-JTQLQIEISA-N -1 3 376.775 3.342 20 0 GGADHM C[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820497415 606134801 /nfs/dbraw/zinc/13/48/01/606134801.db2.gz RBKPVTCQOZSEKL-JTQLQIEISA-N -1 3 376.775 3.342 20 0 GGADHM Cc1cccn2cc(CCNc3ccc(-c4nn[n-]n4)cc3C(F)(F)F)nc12 ZINC000822366084 606139190 /nfs/dbraw/zinc/13/91/90/606139190.db2.gz ARVRTUZOMXHJIE-UHFFFAOYSA-N -1 3 387.369 3.496 20 0 GGADHM Cc1ccc(-c2nc(COC(=O)Cc3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000822213791 606141617 /nfs/dbraw/zinc/14/16/17/606141617.db2.gz ATKLLMLQGJHLFQ-UHFFFAOYSA-N -1 3 375.388 3.116 20 0 GGADHM Cc1ccc(-c2nc(COC(=O)Cc3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000822213791 606141618 /nfs/dbraw/zinc/14/16/18/606141618.db2.gz ATKLLMLQGJHLFQ-UHFFFAOYSA-N -1 3 375.388 3.116 20 0 GGADHM O=S(=O)(C=Cc1ccc(F)cc1)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823557938 606144369 /nfs/dbraw/zinc/14/43/69/606144369.db2.gz WFBZIHZEKWSLKT-FPLPWBNLSA-N -1 3 380.788 3.039 20 0 GGADHM O=S(=O)(C=Cc1ccc(F)cc1)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823557938 606144370 /nfs/dbraw/zinc/14/43/70/606144370.db2.gz WFBZIHZEKWSLKT-FPLPWBNLSA-N -1 3 380.788 3.039 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc(F)cc1Br ZINC000823111144 606144459 /nfs/dbraw/zinc/14/44/59/606144459.db2.gz BMZMLOPZKJRNQV-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc(F)cc1Br ZINC000823111144 606144460 /nfs/dbraw/zinc/14/44/60/606144460.db2.gz BMZMLOPZKJRNQV-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM COc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1 ZINC000821911556 606146413 /nfs/dbraw/zinc/14/64/13/606146413.db2.gz YCBBTYKSUOSDEH-MRVPVSSYSA-N -1 3 375.479 3.375 20 0 GGADHM COc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1 ZINC000821911556 606146415 /nfs/dbraw/zinc/14/64/15/606146415.db2.gz YCBBTYKSUOSDEH-MRVPVSSYSA-N -1 3 375.479 3.375 20 0 GGADHM O=C(CC1CCCCCC1)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822941086 606151282 /nfs/dbraw/zinc/15/12/82/606151282.db2.gz PLPZEDDDHLELTR-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(CC1CCCCCC1)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822941086 606151283 /nfs/dbraw/zinc/15/12/83/606151283.db2.gz PLPZEDDDHLELTR-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(c1cccc2[nH]ccc21)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823494002 606152652 /nfs/dbraw/zinc/15/26/52/606152652.db2.gz ZOHJJPROZKMUMD-UHFFFAOYSA-N -1 3 388.431 3.032 20 0 GGADHM CC(C)Cn1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000820108538 606153172 /nfs/dbraw/zinc/15/31/72/606153172.db2.gz MHNRZINCOKXILD-UHFFFAOYSA-N -1 3 394.361 3.382 20 0 GGADHM CC(C)Cn1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000820108538 606153174 /nfs/dbraw/zinc/15/31/74/606153174.db2.gz MHNRZINCOKXILD-UHFFFAOYSA-N -1 3 394.361 3.382 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823303534 606153194 /nfs/dbraw/zinc/15/31/94/606153194.db2.gz LSKRMIIXHKRQDE-AWEZNQCLSA-N -1 3 390.875 3.476 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823303534 606153195 /nfs/dbraw/zinc/15/31/95/606153195.db2.gz LSKRMIIXHKRQDE-AWEZNQCLSA-N -1 3 390.875 3.476 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000820151101 606155736 /nfs/dbraw/zinc/15/57/36/606155736.db2.gz CQXLWUJBKPSDPV-CRAIPNDOSA-N -1 3 398.511 3.247 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000820151101 606155738 /nfs/dbraw/zinc/15/57/38/606155738.db2.gz CQXLWUJBKPSDPV-CRAIPNDOSA-N -1 3 398.511 3.247 20 0 GGADHM CC(C)n1cc2cc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000820215012 606160665 /nfs/dbraw/zinc/16/06/65/606160665.db2.gz PPFOPOKTQZMXON-UHFFFAOYSA-N -1 3 376.424 3.119 20 0 GGADHM CC(C)n1cc2cc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000820215012 606160667 /nfs/dbraw/zinc/16/06/67/606160667.db2.gz PPFOPOKTQZMXON-UHFFFAOYSA-N -1 3 376.424 3.119 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000820526072 606167252 /nfs/dbraw/zinc/16/72/52/606167252.db2.gz IFRJQFUCLXXSJO-NWDGAFQWSA-N -1 3 385.424 3.224 20 0 GGADHM Fc1ccc(F)c(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822774282 606167806 /nfs/dbraw/zinc/16/78/06/606167806.db2.gz IWYXVJVEQWOBRT-UHFFFAOYSA-N -1 3 394.838 3.327 20 0 GGADHM Fc1ccc(F)c(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822774282 606167807 /nfs/dbraw/zinc/16/78/07/606167807.db2.gz IWYXVJVEQWOBRT-UHFFFAOYSA-N -1 3 394.838 3.327 20 0 GGADHM C[C@@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1cnccn1 ZINC000820512684 606169334 /nfs/dbraw/zinc/16/93/34/606169334.db2.gz NCTWSHVOOLNGNT-CYBMUJFWSA-N -1 3 387.403 3.318 20 0 GGADHM FC(F)(F)c1ccc(N2CCO[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822724007 606174925 /nfs/dbraw/zinc/17/49/25/606174925.db2.gz WGXOJACXURYDGU-MRXNPFEDSA-N -1 3 375.354 3.463 20 0 GGADHM FC(F)(F)c1ccc(N2CCO[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822724007 606174926 /nfs/dbraw/zinc/17/49/26/606174926.db2.gz WGXOJACXURYDGU-MRXNPFEDSA-N -1 3 375.354 3.463 20 0 GGADHM COc1ccc([C@H](O)CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000821782513 606175786 /nfs/dbraw/zinc/17/57/86/606175786.db2.gz GSDRLZKFCAZYAN-OAHLLOKOSA-N -1 3 379.342 3.040 20 0 GGADHM COc1ccc([C@H](O)CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000821782513 606175788 /nfs/dbraw/zinc/17/57/88/606175788.db2.gz GSDRLZKFCAZYAN-OAHLLOKOSA-N -1 3 379.342 3.040 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(-c2cscn2)cc1 ZINC000820533269 606182240 /nfs/dbraw/zinc/18/22/40/606182240.db2.gz DFXJSQBIVMXFQL-LBPRGKRZSA-N -1 3 393.428 3.363 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000820526813 606187028 /nfs/dbraw/zinc/18/70/28/606187028.db2.gz KBYOUWOSYKNODD-WTOJCKNJSA-N -1 3 395.438 3.213 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000820526802 606187063 /nfs/dbraw/zinc/18/70/63/606187063.db2.gz KBYOUWOSYKNODD-JMERFSKESA-N -1 3 395.438 3.213 20 0 GGADHM C[C@H]1Sc2ccccc2N(C(=O)COc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000820818761 606191107 /nfs/dbraw/zinc/19/11/07/606191107.db2.gz BDQVQJHQRBNANE-QWHCGFSZSA-N -1 3 381.461 3.161 20 0 GGADHM C[C@H]1Sc2ccccc2N(C(=O)COc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000820818761 606191109 /nfs/dbraw/zinc/19/11/09/606191109.db2.gz BDQVQJHQRBNANE-QWHCGFSZSA-N -1 3 381.461 3.161 20 0 GGADHM COCc1nc2cc(NC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)ccc2o1 ZINC000821696551 606194237 /nfs/dbraw/zinc/19/42/37/606194237.db2.gz HTXSYBFWHYNHCD-UHFFFAOYSA-N -1 3 379.380 3.107 20 0 GGADHM COCc1nc2cc(NC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)ccc2o1 ZINC000821696551 606194238 /nfs/dbraw/zinc/19/42/38/606194238.db2.gz HTXSYBFWHYNHCD-UHFFFAOYSA-N -1 3 379.380 3.107 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000822352404 606195481 /nfs/dbraw/zinc/19/54/81/606195481.db2.gz YUAFZBKQPRYFET-KRWDZBQOSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000822352404 606195483 /nfs/dbraw/zinc/19/54/83/606195483.db2.gz YUAFZBKQPRYFET-KRWDZBQOSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3cc(F)ccc32)c(-c2nnn[n-]2)c1C ZINC000822557869 606201022 /nfs/dbraw/zinc/20/10/22/606201022.db2.gz KJLSWTMDNSOUHX-UHFFFAOYSA-N -1 3 386.456 3.075 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3cc(F)ccc32)c(-c2nn[n-]n2)c1C ZINC000822557869 606201024 /nfs/dbraw/zinc/20/10/24/606201024.db2.gz KJLSWTMDNSOUHX-UHFFFAOYSA-N -1 3 386.456 3.075 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000822655344 606209553 /nfs/dbraw/zinc/20/95/53/606209553.db2.gz FGMALBBTEUSEHT-UHFFFAOYSA-N -1 3 385.840 3.234 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000822655344 606209554 /nfs/dbraw/zinc/20/95/54/606209554.db2.gz FGMALBBTEUSEHT-UHFFFAOYSA-N -1 3 385.840 3.234 20 0 GGADHM COc1c(C)cnc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)c1C ZINC000821698650 606215128 /nfs/dbraw/zinc/21/51/28/606215128.db2.gz SSFUHCNWUGBYLD-UHFFFAOYSA-N -1 3 375.436 3.072 20 0 GGADHM COc1c(C)cnc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)c1C ZINC000821698650 606215129 /nfs/dbraw/zinc/21/51/29/606215129.db2.gz SSFUHCNWUGBYLD-UHFFFAOYSA-N -1 3 375.436 3.072 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000822655527 606219340 /nfs/dbraw/zinc/21/93/40/606219340.db2.gz MPMHWEFVHXLKDP-UHFFFAOYSA-N -1 3 393.354 3.086 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000822655527 606219342 /nfs/dbraw/zinc/21/93/42/606219342.db2.gz MPMHWEFVHXLKDP-UHFFFAOYSA-N -1 3 393.354 3.086 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)cn3C)cc2)cs1 ZINC000822419798 606220602 /nfs/dbraw/zinc/22/06/02/606220602.db2.gz WGYRECIMUDTMET-NSHDSACASA-N -1 3 393.476 3.128 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)cn3C)cc2)cs1 ZINC000822419798 606220603 /nfs/dbraw/zinc/22/06/03/606220603.db2.gz WGYRECIMUDTMET-NSHDSACASA-N -1 3 393.476 3.128 20 0 GGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000821155000 606222687 /nfs/dbraw/zinc/22/26/87/606222687.db2.gz UOTDECKQKYOLDU-NSHDSACASA-N -1 3 392.385 3.447 20 0 GGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000821155000 606222689 /nfs/dbraw/zinc/22/26/89/606222689.db2.gz UOTDECKQKYOLDU-NSHDSACASA-N -1 3 392.385 3.447 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823367646 606228284 /nfs/dbraw/zinc/22/82/84/606228284.db2.gz MOWIYIUYRVCWKA-MOPGFXCFSA-N -1 3 375.432 3.430 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823367646 606228287 /nfs/dbraw/zinc/22/82/87/606228287.db2.gz MOWIYIUYRVCWKA-MOPGFXCFSA-N -1 3 375.432 3.430 20 0 GGADHM O=C(CC[C@@H]1CCOC1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822950650 606228319 /nfs/dbraw/zinc/22/83/19/606228319.db2.gz WLKKNKBGBURQBG-OAHLLOKOSA-N -1 3 393.447 3.201 20 0 GGADHM O=C(CC[C@@H]1CCOC1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822950650 606228321 /nfs/dbraw/zinc/22/83/21/606228321.db2.gz WLKKNKBGBURQBG-OAHLLOKOSA-N -1 3 393.447 3.201 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1C[C@H]1C1CC1 ZINC000823367649 606228456 /nfs/dbraw/zinc/22/84/56/606228456.db2.gz MOWIYIUYRVCWKA-OALUTQOASA-N -1 3 375.432 3.430 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1C[C@H]1C1CC1 ZINC000823367649 606228458 /nfs/dbraw/zinc/22/84/58/606228458.db2.gz MOWIYIUYRVCWKA-OALUTQOASA-N -1 3 375.432 3.430 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)cc2)n1 ZINC000822414496 606230620 /nfs/dbraw/zinc/23/06/20/606230620.db2.gz HWGCLFASKLDABS-UHFFFAOYSA-N -1 3 397.489 3.374 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)cc2)n1 ZINC000822414496 606230622 /nfs/dbraw/zinc/23/06/22/606230622.db2.gz HWGCLFASKLDABS-UHFFFAOYSA-N -1 3 397.489 3.374 20 0 GGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c(OCc2ccccc2)c1 ZINC000822255339 606232515 /nfs/dbraw/zinc/23/25/15/606232515.db2.gz ZHOOSAVINYETRZ-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c(OCc2ccccc2)c1 ZINC000822255339 606232517 /nfs/dbraw/zinc/23/25/17/606232517.db2.gz ZHOOSAVINYETRZ-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000822650284 606234922 /nfs/dbraw/zinc/23/49/22/606234922.db2.gz UHCKGBKMSFLLLF-UHFFFAOYSA-N -1 3 385.859 3.101 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000822650284 606234924 /nfs/dbraw/zinc/23/49/24/606234924.db2.gz UHCKGBKMSFLLLF-UHFFFAOYSA-N -1 3 385.859 3.101 20 0 GGADHM CCCCOc1ccc(C2=NC(=Cc3cc(-c4nnn[n-]4)cs3)C(=O)O2)cc1 ZINC000821077941 606243524 /nfs/dbraw/zinc/24/35/24/606243524.db2.gz XVELXHMGBRPDIB-YBEGLDIGSA-N -1 3 395.444 3.452 20 0 GGADHM CCCCOc1ccc(C2=NC(=Cc3cc(-c4nn[n-]n4)cs3)C(=O)O2)cc1 ZINC000821077941 606243525 /nfs/dbraw/zinc/24/35/25/606243525.db2.gz XVELXHMGBRPDIB-YBEGLDIGSA-N -1 3 395.444 3.452 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000820743265 606244879 /nfs/dbraw/zinc/24/48/79/606244879.db2.gz SHTDJPJFOZHANZ-ZIAGYGMSSA-N -1 3 395.488 3.267 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000820743265 606244881 /nfs/dbraw/zinc/24/48/81/606244881.db2.gz SHTDJPJFOZHANZ-ZIAGYGMSSA-N -1 3 395.488 3.267 20 0 GGADHM CC(C)COc1cccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000820103326 606246122 /nfs/dbraw/zinc/24/61/22/606246122.db2.gz UYPFZGLJCBNADF-MRXNPFEDSA-N -1 3 398.492 3.180 20 0 GGADHM CC(C)COc1cccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000820103326 606246123 /nfs/dbraw/zinc/24/61/23/606246123.db2.gz UYPFZGLJCBNADF-MRXNPFEDSA-N -1 3 398.492 3.180 20 0 GGADHM CCCCOc1cccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000821077955 606246722 /nfs/dbraw/zinc/24/67/22/606246722.db2.gz YILZBBAWUMHOTO-INIZCTEOSA-N -1 3 398.492 3.325 20 0 GGADHM CCCCOc1cccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000821077955 606246724 /nfs/dbraw/zinc/24/67/24/606246724.db2.gz YILZBBAWUMHOTO-INIZCTEOSA-N -1 3 398.492 3.325 20 0 GGADHM CCCOc1cc(C)ccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821127193 606246868 /nfs/dbraw/zinc/24/68/68/606246868.db2.gz CNDUGKRQCHSEKI-HNNXBMFYSA-N -1 3 398.492 3.243 20 0 GGADHM CCCOc1cc(C)ccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821127193 606246869 /nfs/dbraw/zinc/24/68/69/606246869.db2.gz CNDUGKRQCHSEKI-HNNXBMFYSA-N -1 3 398.492 3.243 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccccc1F)c1ccccc1F ZINC000822623374 606248799 /nfs/dbraw/zinc/24/87/99/606248799.db2.gz URVWBIBJPJKWKJ-UHFFFAOYSA-N -1 3 394.385 3.330 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccccc1F)c1ccccc1F ZINC000822623374 606248801 /nfs/dbraw/zinc/24/88/01/606248801.db2.gz URVWBIBJPJKWKJ-UHFFFAOYSA-N -1 3 394.385 3.330 20 0 GGADHM O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823375655 606250265 /nfs/dbraw/zinc/25/02/65/606250265.db2.gz DCPHIBRAFBIVDV-UHFFFAOYSA-N -1 3 377.389 3.317 20 0 GGADHM O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823375655 606250267 /nfs/dbraw/zinc/25/02/67/606250267.db2.gz DCPHIBRAFBIVDV-UHFFFAOYSA-N -1 3 377.389 3.317 20 0 GGADHM O=C(Nc1ncccn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823383170 606251998 /nfs/dbraw/zinc/25/19/98/606251998.db2.gz MXYNWESQVCNLLY-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM O=C(Nc1ncccn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823383170 606252000 /nfs/dbraw/zinc/25/20/00/606252000.db2.gz MXYNWESQVCNLLY-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)cs1 ZINC000822419969 606252925 /nfs/dbraw/zinc/25/29/25/606252925.db2.gz XWMZRCQOEGASDP-JTQLQIEISA-N -1 3 379.449 3.118 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)cs1 ZINC000822419969 606252926 /nfs/dbraw/zinc/25/29/26/606252926.db2.gz XWMZRCQOEGASDP-JTQLQIEISA-N -1 3 379.449 3.118 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000820742747 606253690 /nfs/dbraw/zinc/25/36/90/606253690.db2.gz MVEYTZCRKUHYEX-ZIAGYGMSSA-N -1 3 395.488 3.267 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)[C@H](C)CO1 ZINC000820742747 606253692 /nfs/dbraw/zinc/25/36/92/606253692.db2.gz MVEYTZCRKUHYEX-ZIAGYGMSSA-N -1 3 395.488 3.267 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000822649976 606257224 /nfs/dbraw/zinc/25/72/24/606257224.db2.gz OCHDDEXQVDYYJH-UHFFFAOYSA-N -1 3 388.431 3.174 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000822649976 606257226 /nfs/dbraw/zinc/25/72/26/606257226.db2.gz OCHDDEXQVDYYJH-UHFFFAOYSA-N -1 3 388.431 3.174 20 0 GGADHM CCC(C)(C)OCc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000820847951 606261506 /nfs/dbraw/zinc/26/15/06/606261506.db2.gz NPVPRKVBLZAXLT-UHFFFAOYSA-N -1 3 382.468 3.471 20 0 GGADHM CCC(C)(C)OCc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000820847951 606261507 /nfs/dbraw/zinc/26/15/07/606261507.db2.gz NPVPRKVBLZAXLT-UHFFFAOYSA-N -1 3 382.468 3.471 20 0 GGADHM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140181 606265351 /nfs/dbraw/zinc/26/53/51/606265351.db2.gz QRYGEWQOVLKFBN-QGZVFWFLSA-N -1 3 394.385 3.187 20 0 GGADHM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140181 606265352 /nfs/dbraw/zinc/26/53/52/606265352.db2.gz QRYGEWQOVLKFBN-QGZVFWFLSA-N -1 3 394.385 3.187 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823031613 606265600 /nfs/dbraw/zinc/26/56/00/606265600.db2.gz DWNMXMLUCFRGHW-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823031613 606265602 /nfs/dbraw/zinc/26/56/02/606265602.db2.gz DWNMXMLUCFRGHW-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823031546 606265942 /nfs/dbraw/zinc/26/59/42/606265942.db2.gz DIKNKTRNWJHKCD-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823031546 606265943 /nfs/dbraw/zinc/26/59/43/606265943.db2.gz DIKNKTRNWJHKCD-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(Nc1ccc[nH]c1=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823372439 606266294 /nfs/dbraw/zinc/26/62/94/606266294.db2.gz DAOKIXYOGYJSCV-UHFFFAOYSA-N -1 3 390.428 3.371 20 0 GGADHM O=C(Nc1ccc[nH]c1=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823372439 606266296 /nfs/dbraw/zinc/26/62/96/606266296.db2.gz DAOKIXYOGYJSCV-UHFFFAOYSA-N -1 3 390.428 3.371 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1csc(Cc2ccccc2F)n1 ZINC000823346115 606269122 /nfs/dbraw/zinc/26/91/22/606269122.db2.gz JENNCYOCWYTEQJ-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1csc(Cc2ccccc2F)n1 ZINC000823346115 606269124 /nfs/dbraw/zinc/26/91/24/606269124.db2.gz JENNCYOCWYTEQJ-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM Cc1ncc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000822471461 606269938 /nfs/dbraw/zinc/26/99/38/606269938.db2.gz COOWJPCTHOWQKS-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1ncc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000822471461 606269939 /nfs/dbraw/zinc/26/99/39/606269939.db2.gz COOWJPCTHOWQKS-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823299270 606273656 /nfs/dbraw/zinc/27/36/56/606273656.db2.gz PDVVWOGXYMRRNK-UHFFFAOYSA-N -1 3 388.366 3.130 20 0 GGADHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823299270 606273658 /nfs/dbraw/zinc/27/36/58/606273658.db2.gz PDVVWOGXYMRRNK-UHFFFAOYSA-N -1 3 388.366 3.130 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000820518484 606279319 /nfs/dbraw/zinc/27/93/19/606279319.db2.gz FKDVKRZWLQSXIV-YZVOILCLSA-N -1 3 377.448 3.039 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2[nH]c1=O ZINC000821123037 606281575 /nfs/dbraw/zinc/28/15/75/606281575.db2.gz ILQWQBJJJMZPHF-UHFFFAOYSA-N -1 3 389.419 3.195 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)n1cnc2ccccc21 ZINC000821119043 606281746 /nfs/dbraw/zinc/28/17/46/606281746.db2.gz UENTXEYGPALHNZ-CYBMUJFWSA-N -1 3 390.451 3.238 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(C)ccc1OC ZINC000821123740 606282039 /nfs/dbraw/zinc/28/20/39/606282039.db2.gz WYUIAWNUWNWNBV-UHFFFAOYSA-N -1 3 380.452 3.187 20 0 GGADHM O=C(NCC1(O)CCCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823170423 606286293 /nfs/dbraw/zinc/28/62/93/606286293.db2.gz APQJGOXZXRAXRC-UHFFFAOYSA-N -1 3 395.488 3.053 20 0 GGADHM O=C(NCC1(O)CCCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823170423 606286294 /nfs/dbraw/zinc/28/62/94/606286294.db2.gz APQJGOXZXRAXRC-UHFFFAOYSA-N -1 3 395.488 3.053 20 0 GGADHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1-c1ccc2c(c1)CCC2 ZINC000822563476 606286959 /nfs/dbraw/zinc/28/69/59/606286959.db2.gz KOAMWEJYJXRDQC-UHFFFAOYSA-N -1 3 391.460 3.368 20 0 GGADHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1-c1ccc2c(c1)CCC2 ZINC000822563476 606286961 /nfs/dbraw/zinc/28/69/61/606286961.db2.gz KOAMWEJYJXRDQC-UHFFFAOYSA-N -1 3 391.460 3.368 20 0 GGADHM O=C(NCc1ccc[nH]1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823254080 606287875 /nfs/dbraw/zinc/28/78/75/606287875.db2.gz PBOBSAZWFCKGTI-UHFFFAOYSA-N -1 3 376.445 3.276 20 0 GGADHM O=C(NCc1ccc[nH]1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823254080 606287877 /nfs/dbraw/zinc/28/78/77/606287877.db2.gz PBOBSAZWFCKGTI-UHFFFAOYSA-N -1 3 376.445 3.276 20 0 GGADHM CN(C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)c1cn[nH]c1 ZINC000821574301 606290123 /nfs/dbraw/zinc/29/01/23/606290123.db2.gz AKGNJWKNVFIFLK-UHFFFAOYSA-N -1 3 395.810 3.312 20 0 GGADHM Cc1cnc(CNC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000822394494 606290946 /nfs/dbraw/zinc/29/09/46/606290946.db2.gz BFZLDWRPTRGHKI-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1cnc(CNC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000822394494 606290947 /nfs/dbraw/zinc/29/09/47/606290947.db2.gz BFZLDWRPTRGHKI-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cn1ccc(CNC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822689169 606300110 /nfs/dbraw/zinc/30/01/10/606300110.db2.gz GUZAMORFUKCANK-UHFFFAOYSA-N -1 3 390.472 3.286 20 0 GGADHM Cn1ccc(CNC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822689169 606300112 /nfs/dbraw/zinc/30/01/12/606300112.db2.gz GUZAMORFUKCANK-UHFFFAOYSA-N -1 3 390.472 3.286 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821640140 606307437 /nfs/dbraw/zinc/30/74/37/606307437.db2.gz BNCOQFCGEJAULA-HWPZZCPQSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821640140 606307439 /nfs/dbraw/zinc/30/74/39/606307439.db2.gz BNCOQFCGEJAULA-HWPZZCPQSA-N -1 3 389.818 3.224 20 0 GGADHM O=C1[C@H](Sc2ccc(F)cc2F)CCN1c1sccc1-c1nnn[n-]1 ZINC000823510878 606311349 /nfs/dbraw/zinc/31/13/49/606311349.db2.gz BOYWMMPEBAPTDI-GFCCVEGCSA-N -1 3 379.417 3.104 20 0 GGADHM O=C1[C@H](Sc2ccc(F)cc2F)CCN1c1sccc1-c1nn[n-]n1 ZINC000823510878 606311350 /nfs/dbraw/zinc/31/13/50/606311350.db2.gz BOYWMMPEBAPTDI-GFCCVEGCSA-N -1 3 379.417 3.104 20 0 GGADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820120406 606316482 /nfs/dbraw/zinc/31/64/82/606316482.db2.gz DWNOKYBBWLELJV-UHFFFAOYSA-N -1 3 389.257 3.008 20 0 GGADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820120406 606316483 /nfs/dbraw/zinc/31/64/83/606316483.db2.gz DWNOKYBBWLELJV-UHFFFAOYSA-N -1 3 389.257 3.008 20 0 GGADHM O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823290008 606319347 /nfs/dbraw/zinc/31/93/47/606319347.db2.gz RHQZFIWEOUMEFF-UHFFFAOYSA-N -1 3 396.414 3.300 20 0 GGADHM O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823290008 606319348 /nfs/dbraw/zinc/31/93/48/606319348.db2.gz RHQZFIWEOUMEFF-UHFFFAOYSA-N -1 3 396.414 3.300 20 0 GGADHM Cc1nc(Cl)sc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822450009 606320682 /nfs/dbraw/zinc/32/06/82/606320682.db2.gz YVFLRVCRDFKRHE-UHFFFAOYSA-N -1 3 386.771 3.139 20 0 GGADHM Cc1nc(Cl)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822450009 606320683 /nfs/dbraw/zinc/32/06/83/606320683.db2.gz YVFLRVCRDFKRHE-UHFFFAOYSA-N -1 3 386.771 3.139 20 0 GGADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822380183 606320755 /nfs/dbraw/zinc/32/07/55/606320755.db2.gz ZUKHVIMERPBUNQ-UHFFFAOYSA-N -1 3 394.416 3.036 20 0 GGADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822380183 606320757 /nfs/dbraw/zinc/32/07/57/606320757.db2.gz ZUKHVIMERPBUNQ-UHFFFAOYSA-N -1 3 394.416 3.036 20 0 GGADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823331666 606322443 /nfs/dbraw/zinc/32/24/43/606322443.db2.gz GYIKSDQZSVLDTH-UHFFFAOYSA-N -1 3 386.721 3.042 20 0 GGADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823331666 606322445 /nfs/dbraw/zinc/32/24/45/606322445.db2.gz GYIKSDQZSVLDTH-UHFFFAOYSA-N -1 3 386.721 3.042 20 0 GGADHM CCS[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821454485 606325280 /nfs/dbraw/zinc/32/52/80/606325280.db2.gz GISNBSRIGRQCHD-IAGOWNOFSA-N -1 3 389.525 3.206 20 0 GGADHM CCS[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821454485 606325282 /nfs/dbraw/zinc/32/52/82/606325282.db2.gz GISNBSRIGRQCHD-IAGOWNOFSA-N -1 3 389.525 3.206 20 0 GGADHM C[C@H](OC(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518341 606344446 /nfs/dbraw/zinc/34/44/46/606344446.db2.gz BMNVZGQUWFEGKT-NSHDSACASA-N -1 3 395.810 3.019 20 0 GGADHM C[C@H](OC(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518341 606344448 /nfs/dbraw/zinc/34/44/48/606344448.db2.gz BMNVZGQUWFEGKT-NSHDSACASA-N -1 3 395.810 3.019 20 0 GGADHM CC(=O)c1ccc(OCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819835324 606346853 /nfs/dbraw/zinc/34/68/53/606346853.db2.gz VWIDRXWEIOFWNY-CQSZACIVSA-N -1 3 380.404 3.143 20 0 GGADHM CC(=O)c1ccc(OCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819835324 606346855 /nfs/dbraw/zinc/34/68/55/606346855.db2.gz VWIDRXWEIOFWNY-CQSZACIVSA-N -1 3 380.404 3.143 20 0 GGADHM CC(=O)c1cccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819844487 606347254 /nfs/dbraw/zinc/34/72/54/606347254.db2.gz ISWWCTOROOWHEB-KGLIPLIRSA-N -1 3 380.404 3.141 20 0 GGADHM CC(=O)c1cccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819844487 606347256 /nfs/dbraw/zinc/34/72/56/606347256.db2.gz ISWWCTOROOWHEB-KGLIPLIRSA-N -1 3 380.404 3.141 20 0 GGADHM Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822263078 606347935 /nfs/dbraw/zinc/34/79/35/606347935.db2.gz JBOJLTGNTKMSGG-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822263078 606347936 /nfs/dbraw/zinc/34/79/36/606347936.db2.gz JBOJLTGNTKMSGG-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM COc1ccc(COCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821825220 606347980 /nfs/dbraw/zinc/34/79/80/606347980.db2.gz UVWDQMVIUKZGJM-CQSZACIVSA-N -1 3 382.420 3.086 20 0 GGADHM COc1ccc(COCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821825220 606347982 /nfs/dbraw/zinc/34/79/82/606347982.db2.gz UVWDQMVIUKZGJM-CQSZACIVSA-N -1 3 382.420 3.086 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N(CCc1cccc(F)c1)C1CC1 ZINC000823343808 606348466 /nfs/dbraw/zinc/34/84/66/606348466.db2.gz HWZWRMROYSAAQW-UHFFFAOYSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N(CCc1cccc(F)c1)C1CC1 ZINC000823343808 606348467 /nfs/dbraw/zinc/34/84/67/606348467.db2.gz HWZWRMROYSAAQW-UHFFFAOYSA-N -1 3 384.390 3.384 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512666 606350004 /nfs/dbraw/zinc/35/00/04/606350004.db2.gz MURGHORJSSXXBT-AUUYWEPGSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512666 606350006 /nfs/dbraw/zinc/35/00/06/606350006.db2.gz MURGHORJSSXXBT-AUUYWEPGSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000820380339 606350163 /nfs/dbraw/zinc/35/01/63/606350163.db2.gz QLJGOGKXDJGZTM-VIFPVBQESA-N -1 3 383.412 3.498 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000820380339 606350164 /nfs/dbraw/zinc/35/01/64/606350164.db2.gz QLJGOGKXDJGZTM-VIFPVBQESA-N -1 3 383.412 3.498 20 0 GGADHM CCO[C@H](CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000821351239 606350834 /nfs/dbraw/zinc/35/08/34/606350834.db2.gz NOSWURYSTFNXCZ-MRXNPFEDSA-N -1 3 376.436 3.113 20 0 GGADHM CCO[C@H](CCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCC1 ZINC000821351239 606350835 /nfs/dbraw/zinc/35/08/35/606350835.db2.gz NOSWURYSTFNXCZ-MRXNPFEDSA-N -1 3 376.436 3.113 20 0 GGADHM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823176741 606353307 /nfs/dbraw/zinc/35/33/07/606353307.db2.gz YAOPYUQMCXYJNQ-KBXCAEBGSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823176741 606353309 /nfs/dbraw/zinc/35/33/09/606353309.db2.gz YAOPYUQMCXYJNQ-KBXCAEBGSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCCO[C@H](c2ccccc2)C1 ZINC000823344047 606356770 /nfs/dbraw/zinc/35/67/70/606356770.db2.gz OSSLTDYBIRIWIC-KRWDZBQOSA-N -1 3 382.399 3.001 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCCO[C@H](c2ccccc2)C1 ZINC000823344047 606356771 /nfs/dbraw/zinc/35/67/71/606356771.db2.gz OSSLTDYBIRIWIC-KRWDZBQOSA-N -1 3 382.399 3.001 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000823344048 606356854 /nfs/dbraw/zinc/35/68/54/606356854.db2.gz OSSLTDYBIRIWIC-QGZVFWFLSA-N -1 3 382.399 3.001 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000823344048 606356856 /nfs/dbraw/zinc/35/68/56/606356856.db2.gz OSSLTDYBIRIWIC-QGZVFWFLSA-N -1 3 382.399 3.001 20 0 GGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1F ZINC000822021064 606357021 /nfs/dbraw/zinc/35/70/21/606357021.db2.gz ULKDVRKRHYQRCS-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1F ZINC000822021064 606357023 /nfs/dbraw/zinc/35/70/23/606357023.db2.gz ULKDVRKRHYQRCS-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502481 606359351 /nfs/dbraw/zinc/35/93/51/606359351.db2.gz SIPHOSBIWCFAEN-LLVKDONJSA-N -1 3 381.417 3.430 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502481 606359353 /nfs/dbraw/zinc/35/93/53/606359353.db2.gz SIPHOSBIWCFAEN-LLVKDONJSA-N -1 3 381.417 3.430 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@]12CCOc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488038 606359534 /nfs/dbraw/zinc/35/95/34/606359534.db2.gz KMANPSHZAHSKBL-IFCGJNOESA-N -1 3 376.416 3.211 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@]12CCOc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488038 606359535 /nfs/dbraw/zinc/35/95/35/606359535.db2.gz KMANPSHZAHSKBL-IFCGJNOESA-N -1 3 376.416 3.211 20 0 GGADHM CS/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821956147 606361203 /nfs/dbraw/zinc/36/12/03/606361203.db2.gz ICIADDOPAVMTJU-FPLPWBNLSA-N -1 3 385.424 3.400 20 0 GGADHM CS/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821956147 606361205 /nfs/dbraw/zinc/36/12/05/606361205.db2.gz ICIADDOPAVMTJU-FPLPWBNLSA-N -1 3 385.424 3.400 20 0 GGADHM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000820359609 606362028 /nfs/dbraw/zinc/36/20/28/606362028.db2.gz UCLLJSYNQLTINT-KBXCAEBGSA-N -1 3 379.468 3.062 20 0 GGADHM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000820359609 606362030 /nfs/dbraw/zinc/36/20/30/606362030.db2.gz UCLLJSYNQLTINT-KBXCAEBGSA-N -1 3 379.468 3.062 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820938728 606362439 /nfs/dbraw/zinc/36/24/39/606362439.db2.gz MRCSNOFCIDFIAP-HNNXBMFYSA-N -1 3 389.818 3.133 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820938728 606362440 /nfs/dbraw/zinc/36/24/40/606362440.db2.gz MRCSNOFCIDFIAP-HNNXBMFYSA-N -1 3 389.818 3.133 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820939328 606362549 /nfs/dbraw/zinc/36/25/49/606362549.db2.gz TYZXLVURZFPJPD-HNNXBMFYSA-N -1 3 389.818 3.133 20 0 GGADHM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820939328 606362551 /nfs/dbraw/zinc/36/25/51/606362551.db2.gz TYZXLVURZFPJPD-HNNXBMFYSA-N -1 3 389.818 3.133 20 0 GGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612982 606362774 /nfs/dbraw/zinc/36/27/74/606362774.db2.gz PBIQJPHITGMNLL-JOCHJYFZSA-N -1 3 390.491 3.421 20 0 GGADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612982 606362776 /nfs/dbraw/zinc/36/27/76/606362776.db2.gz PBIQJPHITGMNLL-JOCHJYFZSA-N -1 3 390.491 3.421 20 0 GGADHM O=C(N[C@@H]1CCCSC1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823151269 606365151 /nfs/dbraw/zinc/36/51/51/606365151.db2.gz YKAYZVADHJKULQ-MRXNPFEDSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(N[C@@H]1CCCSC1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823151269 606365153 /nfs/dbraw/zinc/36/51/53/606365153.db2.gz YKAYZVADHJKULQ-MRXNPFEDSA-N -1 3 395.488 3.071 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Br)c(F)c1 ZINC000821702079 606368229 /nfs/dbraw/zinc/36/82/29/606368229.db2.gz GWORFABBWJHALD-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Br)c(F)c1 ZINC000821702079 606368227 /nfs/dbraw/zinc/36/82/27/606368227.db2.gz GWORFABBWJHALD-UHFFFAOYSA-N -1 3 379.189 3.356 20 0 GGADHM O=C(CCN1CC[C@H]1c1ccc(Cl)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822964746 606375784 /nfs/dbraw/zinc/37/57/84/606375784.db2.gz OGCWNZFQVDYAEG-AWEZNQCLSA-N -1 3 388.884 3.357 20 0 GGADHM O=C(CCN1CC[C@H]1c1ccc(Cl)cc1)Nc1sccc1-c1nn[n-]n1 ZINC000822964746 606375785 /nfs/dbraw/zinc/37/57/85/606375785.db2.gz OGCWNZFQVDYAEG-AWEZNQCLSA-N -1 3 388.884 3.357 20 0 GGADHM CC(C)CC(=O)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820050545 606375902 /nfs/dbraw/zinc/37/59/02/606375902.db2.gz BJXWUPOWKPGYGR-UHFFFAOYSA-N -1 3 394.431 3.218 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)c1ccccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821647163 606378430 /nfs/dbraw/zinc/37/84/30/606378430.db2.gz UXEHRHJXRSNKNT-AUUYWEPGSA-N -1 3 394.431 3.126 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)c1ccccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821647163 606378431 /nfs/dbraw/zinc/37/84/31/606378431.db2.gz UXEHRHJXRSNKNT-AUUYWEPGSA-N -1 3 394.431 3.126 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CC12CCOCC2 ZINC000823350465 606379477 /nfs/dbraw/zinc/37/94/77/606379477.db2.gz OCJNSCKCTZWLIQ-GOSISDBHSA-N -1 3 391.431 3.414 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CC12CCOCC2 ZINC000823350465 606379478 /nfs/dbraw/zinc/37/94/78/606379478.db2.gz OCJNSCKCTZWLIQ-GOSISDBHSA-N -1 3 391.431 3.414 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(Br)c(F)c1 ZINC000823078837 606381111 /nfs/dbraw/zinc/38/11/11/606381111.db2.gz UQHSURGSAOFMGB-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Br)c(F)c1 ZINC000823078837 606381113 /nfs/dbraw/zinc/38/11/13/606381113.db2.gz UQHSURGSAOFMGB-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCC(=O)CC1 ZINC000823525656 606381961 /nfs/dbraw/zinc/38/19/61/606381961.db2.gz QTVFXCYHNIKHKW-UHFFFAOYSA-N -1 3 376.416 3.336 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCC(=O)CC1 ZINC000823525656 606381962 /nfs/dbraw/zinc/38/19/62/606381962.db2.gz QTVFXCYHNIKHKW-UHFFFAOYSA-N -1 3 376.416 3.336 20 0 GGADHM CC[C@H](CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1F ZINC000820908343 606382386 /nfs/dbraw/zinc/38/23/86/606382386.db2.gz LIEQWZHALQQCML-CZUORRHYSA-N -1 3 398.442 3.224 20 0 GGADHM CC[C@H](CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1F ZINC000820908343 606382387 /nfs/dbraw/zinc/38/23/87/606382387.db2.gz LIEQWZHALQQCML-CZUORRHYSA-N -1 3 398.442 3.224 20 0 GGADHM Cc1sc2nc3n(c(=O)c2c1C)CCC3=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822563181 606389399 /nfs/dbraw/zinc/38/93/99/606389399.db2.gz GHZGAUSEWGWVMI-JXMROGBWSA-N -1 3 382.474 3.261 20 0 GGADHM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000821630085 606394000 /nfs/dbraw/zinc/39/40/00/606394000.db2.gz LWXUOHWJVKOYAV-GOSISDBHSA-N -1 3 392.444 3.312 20 0 GGADHM Cc1c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cnc2ccccc12 ZINC000822020556 606397081 /nfs/dbraw/zinc/39/70/81/606397081.db2.gz DSYSYNQOAWFTKS-CYBMUJFWSA-N -1 3 389.415 3.348 20 0 GGADHM Cc1c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cnc2ccccc12 ZINC000822020556 606397082 /nfs/dbraw/zinc/39/70/82/606397082.db2.gz DSYSYNQOAWFTKS-CYBMUJFWSA-N -1 3 389.415 3.348 20 0 GGADHM COc1cc2cc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)[nH]c2cc1OC ZINC000821728076 606398698 /nfs/dbraw/zinc/39/86/98/606398698.db2.gz RMGGDMSRLXKRPS-NSHDSACASA-N -1 3 393.403 3.283 20 0 GGADHM COc1cc2cc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)[nH]c2cc1OC ZINC000821728076 606398700 /nfs/dbraw/zinc/39/87/00/606398700.db2.gz RMGGDMSRLXKRPS-NSHDSACASA-N -1 3 393.403 3.283 20 0 GGADHM Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2C)no1 ZINC000822154432 606399973 /nfs/dbraw/zinc/39/99/73/606399973.db2.gz XBIAZVLIXZTRKV-AWEZNQCLSA-N -1 3 392.419 3.489 20 0 GGADHM Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000822154432 606399975 /nfs/dbraw/zinc/39/99/75/606399975.db2.gz XBIAZVLIXZTRKV-AWEZNQCLSA-N -1 3 392.419 3.489 20 0 GGADHM O=C(NC[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1)c1ccccc1 ZINC000823175677 606401611 /nfs/dbraw/zinc/40/16/11/606401611.db2.gz MDTQSUNYLOXOBY-AWEZNQCLSA-N -1 3 396.882 3.167 20 0 GGADHM O=C(NC[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1)c1ccccc1 ZINC000823175677 606401613 /nfs/dbraw/zinc/40/16/13/606401613.db2.gz MDTQSUNYLOXOBY-AWEZNQCLSA-N -1 3 396.882 3.167 20 0 GGADHM COc1ccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)coc2c1 ZINC000821849324 606413033 /nfs/dbraw/zinc/41/30/33/606413033.db2.gz DFPVZFSDIXVOOC-UHFFFAOYSA-N -1 3 397.822 3.480 20 0 GGADHM COc1ccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)coc2c1 ZINC000821849324 606413034 /nfs/dbraw/zinc/41/30/34/606413034.db2.gz DFPVZFSDIXVOOC-UHFFFAOYSA-N -1 3 397.822 3.480 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822212778 606413389 /nfs/dbraw/zinc/41/33/89/606413389.db2.gz HDLSLHPJSMTYFZ-UHFFFAOYSA-N -1 3 380.839 3.446 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822212778 606413391 /nfs/dbraw/zinc/41/33/91/606413391.db2.gz HDLSLHPJSMTYFZ-UHFFFAOYSA-N -1 3 380.839 3.446 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640713 606416803 /nfs/dbraw/zinc/41/68/03/606416803.db2.gz NJQLPQRETZXEPH-QLJPJBMISA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640713 606416805 /nfs/dbraw/zinc/41/68/05/606416805.db2.gz NJQLPQRETZXEPH-QLJPJBMISA-N -1 3 389.818 3.224 20 0 GGADHM Fc1cccc(OC(F)F)c1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822790935 606420517 /nfs/dbraw/zinc/42/05/17/606420517.db2.gz AMCZXSIOORVANF-UHFFFAOYSA-N -1 3 386.337 3.189 20 0 GGADHM Fc1cccc(OC(F)F)c1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822790935 606420519 /nfs/dbraw/zinc/42/05/19/606420519.db2.gz AMCZXSIOORVANF-UHFFFAOYSA-N -1 3 386.337 3.189 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@H]1C ZINC000820741633 606421386 /nfs/dbraw/zinc/42/13/86/606421386.db2.gz DVIKPMOFNSPGNJ-HUUCEWRRSA-N -1 3 377.448 3.174 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C[C@H]1C ZINC000820741633 606421388 /nfs/dbraw/zinc/42/13/88/606421388.db2.gz DVIKPMOFNSPGNJ-HUUCEWRRSA-N -1 3 377.448 3.174 20 0 GGADHM COC[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC000821684344 606422341 /nfs/dbraw/zinc/42/23/41/606422341.db2.gz YWQHNTVZHQUHCC-CYBMUJFWSA-N -1 3 383.399 3.424 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(CC(F)F)c1ccccc1 ZINC000823060492 606430807 /nfs/dbraw/zinc/43/08/07/606430807.db2.gz DUUAYGQJXZEJQW-UHFFFAOYSA-N -1 3 389.431 3.398 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(CC(F)F)c1ccccc1 ZINC000823060492 606430808 /nfs/dbraw/zinc/43/08/08/606430808.db2.gz DUUAYGQJXZEJQW-UHFFFAOYSA-N -1 3 389.431 3.398 20 0 GGADHM FC(F)C(F)(F)COCc1cccc(Nc2ncccc2-c2nnn[n-]2)c1 ZINC000822727948 606431252 /nfs/dbraw/zinc/43/12/52/606431252.db2.gz CTULKEXMJLVVGE-UHFFFAOYSA-N -1 3 382.321 3.422 20 0 GGADHM FC(F)C(F)(F)COCc1cccc(Nc2ncccc2-c2nn[n-]n2)c1 ZINC000822727948 606431253 /nfs/dbraw/zinc/43/12/53/606431253.db2.gz CTULKEXMJLVVGE-UHFFFAOYSA-N -1 3 382.321 3.422 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1F ZINC000443009974 606435673 /nfs/dbraw/zinc/43/56/73/606435673.db2.gz CLLNOUXLDMTWDS-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1F ZINC000443009974 606435675 /nfs/dbraw/zinc/43/56/75/606435675.db2.gz CLLNOUXLDMTWDS-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM O=C(OCC[C@H]1CCCO1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823400696 606437607 /nfs/dbraw/zinc/43/76/07/606437607.db2.gz IFENDXCKDNOFOP-GOSISDBHSA-N -1 3 394.431 3.172 20 0 GGADHM CCc1ccccc1NC(=O)CN(C)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821497543 606439842 /nfs/dbraw/zinc/43/98/42/606439842.db2.gz VRPQIXYTMHIBSU-UHFFFAOYSA-N -1 3 387.447 3.052 20 0 GGADHM CCc1ccccc1NC(=O)CN(C)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821497543 606439843 /nfs/dbraw/zinc/43/98/43/606439843.db2.gz VRPQIXYTMHIBSU-UHFFFAOYSA-N -1 3 387.447 3.052 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1I ZINC000822761449 606440600 /nfs/dbraw/zinc/44/06/00/606440600.db2.gz MVGFBJITYBOBRD-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1I ZINC000822761449 606440603 /nfs/dbraw/zinc/44/06/03/606440603.db2.gz MVGFBJITYBOBRD-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)[C@@H]1C ZINC000820715437 606446220 /nfs/dbraw/zinc/44/62/20/606446220.db2.gz BBSAZGOASCCLNU-HUUCEWRRSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)[C@@H]1C ZINC000820715437 606446224 /nfs/dbraw/zinc/44/62/24/606446224.db2.gz BBSAZGOASCCLNU-HUUCEWRRSA-N -1 3 377.448 3.316 20 0 GGADHM CC[C@@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1C ZINC000820901727 606447575 /nfs/dbraw/zinc/44/75/75/606447575.db2.gz DYDOLTWVCXKKLV-SFHVURJKSA-N -1 3 379.464 3.082 20 0 GGADHM CC[C@@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1C ZINC000820901727 606447576 /nfs/dbraw/zinc/44/75/76/606447576.db2.gz DYDOLTWVCXKKLV-SFHVURJKSA-N -1 3 379.464 3.082 20 0 GGADHM CCCCCCNC(=O)CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000821055576 606448473 /nfs/dbraw/zinc/44/84/73/606448473.db2.gz DPBSAFZPFLJQOH-UHFFFAOYSA-N -1 3 395.467 3.162 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823050444 606450314 /nfs/dbraw/zinc/45/03/14/606450314.db2.gz ZRPRNVLNHQAIGM-UHFFFAOYSA-N -1 3 395.850 3.215 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823050444 606450317 /nfs/dbraw/zinc/45/03/17/606450317.db2.gz ZRPRNVLNHQAIGM-UHFFFAOYSA-N -1 3 395.850 3.215 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H]3c3ccccn3)c2c1 ZINC000822753064 606461435 /nfs/dbraw/zinc/46/14/35/606461435.db2.gz BIGHDERTEPTQIU-INIZCTEOSA-N -1 3 379.374 3.430 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H]3c3ccccn3)c2c1 ZINC000822753064 606461437 /nfs/dbraw/zinc/46/14/37/606461437.db2.gz BIGHDERTEPTQIU-INIZCTEOSA-N -1 3 379.374 3.430 20 0 GGADHM C[C@H]1CN(Cc2cccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)c2)C[C@H](C)O1 ZINC000820759034 606466189 /nfs/dbraw/zinc/46/61/89/606466189.db2.gz GZIMBAHDJVTFGL-STQMWFEESA-N -1 3 399.886 3.268 20 0 GGADHM C[C@H]1CN(Cc2cccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)c2)C[C@H](C)O1 ZINC000820759034 606466191 /nfs/dbraw/zinc/46/61/91/606466191.db2.gz GZIMBAHDJVTFGL-STQMWFEESA-N -1 3 399.886 3.268 20 0 GGADHM C[C@@H](NS(=O)(=O)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820450330 606470256 /nfs/dbraw/zinc/47/02/56/606470256.db2.gz JQYCZEODEHTZMA-CYBMUJFWSA-N -1 3 379.445 3.059 20 0 GGADHM C[C@@H](NS(=O)(=O)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820450330 606470257 /nfs/dbraw/zinc/47/02/57/606470257.db2.gz JQYCZEODEHTZMA-CYBMUJFWSA-N -1 3 379.445 3.059 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C1CCCC1)C(F)(F)F ZINC000820548526 606470297 /nfs/dbraw/zinc/47/02/97/606470297.db2.gz BLTWHEMGQKBNIF-IINYFYTJSA-N -1 3 384.358 3.298 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C1CCCC1)C(F)(F)F ZINC000820548526 606470298 /nfs/dbraw/zinc/47/02/98/606470298.db2.gz BLTWHEMGQKBNIF-IINYFYTJSA-N -1 3 384.358 3.298 20 0 GGADHM Cc1csc([C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C(F)(F)F)n1 ZINC000822408352 606470495 /nfs/dbraw/zinc/47/04/95/606470495.db2.gz CCFFFVDPZKPIKB-MRVPVSSYSA-N -1 3 375.357 3.154 20 0 GGADHM Cc1csc([C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C(F)(F)F)n1 ZINC000822408352 606470497 /nfs/dbraw/zinc/47/04/97/606470497.db2.gz CCFFFVDPZKPIKB-MRVPVSSYSA-N -1 3 375.357 3.154 20 0 GGADHM COCCN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821690307 606480749 /nfs/dbraw/zinc/48/07/49/606480749.db2.gz FFQPVSVKQORYSM-UHFFFAOYSA-N -1 3 389.406 3.117 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(-c2cscn2)cc1 ZINC000822153908 606483027 /nfs/dbraw/zinc/48/30/27/606483027.db2.gz QRYADYIYOYFCID-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(-c2cscn2)cc1 ZINC000822153908 606483028 /nfs/dbraw/zinc/48/30/28/606483028.db2.gz QRYADYIYOYFCID-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM Cc1cccc(CC2CN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)c1 ZINC000822299209 606486089 /nfs/dbraw/zinc/48/60/89/606486089.db2.gz BLOVRRRYBQSGKO-UHFFFAOYSA-N -1 3 393.495 3.438 20 0 GGADHM Cc1cccc(CC2CN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)c1 ZINC000822299209 606486090 /nfs/dbraw/zinc/48/60/90/606486090.db2.gz BLOVRRRYBQSGKO-UHFFFAOYSA-N -1 3 393.495 3.438 20 0 GGADHM CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821337855 606488621 /nfs/dbraw/zinc/48/86/21/606488621.db2.gz PCJRNMALVAXFGW-UHFFFAOYSA-N -1 3 399.476 3.157 20 0 GGADHM CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821337855 606488622 /nfs/dbraw/zinc/48/86/22/606488622.db2.gz PCJRNMALVAXFGW-UHFFFAOYSA-N -1 3 399.476 3.157 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821609885 606491827 /nfs/dbraw/zinc/49/18/27/606491827.db2.gz PWRDSCWIJDCOGC-UHFFFAOYSA-N -1 3 376.247 3.375 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821609885 606491829 /nfs/dbraw/zinc/49/18/29/606491829.db2.gz PWRDSCWIJDCOGC-UHFFFAOYSA-N -1 3 376.247 3.375 20 0 GGADHM COc1ccc([C@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2)cc1 ZINC000821777958 606495582 /nfs/dbraw/zinc/49/55/82/606495582.db2.gz PWBREBNAHJMGJA-JOCHJYFZSA-N -1 3 399.454 3.324 20 0 GGADHM COc1ccc([C@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2)cc1 ZINC000821777958 606495584 /nfs/dbraw/zinc/49/55/84/606495584.db2.gz PWBREBNAHJMGJA-JOCHJYFZSA-N -1 3 399.454 3.324 20 0 GGADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823355990 606496283 /nfs/dbraw/zinc/49/62/83/606496283.db2.gz HVXGOYBXZRGQNJ-UHFFFAOYSA-N -1 3 387.475 3.183 20 0 GGADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823355990 606496284 /nfs/dbraw/zinc/49/62/84/606496284.db2.gz HVXGOYBXZRGQNJ-UHFFFAOYSA-N -1 3 387.475 3.183 20 0 GGADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820291983 606496731 /nfs/dbraw/zinc/49/67/31/606496731.db2.gz BNGIOTLUPIMRNE-VIFPVBQESA-N -1 3 397.382 3.144 20 0 GGADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820291983 606496734 /nfs/dbraw/zinc/49/67/34/606496734.db2.gz BNGIOTLUPIMRNE-VIFPVBQESA-N -1 3 397.382 3.144 20 0 GGADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822356597 606497740 /nfs/dbraw/zinc/49/77/40/606497740.db2.gz VJJRCAROOVKPCT-UHFFFAOYSA-N -1 3 390.472 3.474 20 0 GGADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822356597 606497741 /nfs/dbraw/zinc/49/77/41/606497741.db2.gz VJJRCAROOVKPCT-UHFFFAOYSA-N -1 3 390.472 3.474 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000823108270 606497822 /nfs/dbraw/zinc/49/78/22/606497822.db2.gz KVPNNNDYWOZQQL-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000823108270 606497824 /nfs/dbraw/zinc/49/78/24/606497824.db2.gz KVPNNNDYWOZQQL-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823254141 606501467 /nfs/dbraw/zinc/50/14/67/606501467.db2.gz PTQLVLXRYIHLLW-UHFFFAOYSA-N -1 3 378.417 3.046 20 0 GGADHM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823254141 606501469 /nfs/dbraw/zinc/50/14/69/606501469.db2.gz PTQLVLXRYIHLLW-UHFFFAOYSA-N -1 3 378.417 3.046 20 0 GGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821563858 606502194 /nfs/dbraw/zinc/50/21/94/606502194.db2.gz ITBSGCRYAAOBFS-HNNXBMFYSA-N -1 3 393.476 3.275 20 0 GGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821563858 606502195 /nfs/dbraw/zinc/50/21/95/606502195.db2.gz ITBSGCRYAAOBFS-HNNXBMFYSA-N -1 3 393.476 3.275 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCOC2(CCCCC2)C1 ZINC000822733234 606502504 /nfs/dbraw/zinc/50/25/04/606502504.db2.gz ULKHRCLCMDBBIV-UHFFFAOYSA-N -1 3 379.411 3.003 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCOC2(CCCCC2)C1 ZINC000822733234 606502505 /nfs/dbraw/zinc/50/25/05/606502505.db2.gz ULKHRCLCMDBBIV-UHFFFAOYSA-N -1 3 379.411 3.003 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1N1CCSCC1 ZINC000822208130 606502703 /nfs/dbraw/zinc/50/27/03/606502703.db2.gz CEMMXZJMWVTBHI-UHFFFAOYSA-N -1 3 386.506 3.042 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1N1CCSCC1 ZINC000822208130 606502704 /nfs/dbraw/zinc/50/27/04/606502704.db2.gz CEMMXZJMWVTBHI-UHFFFAOYSA-N -1 3 386.506 3.042 20 0 GGADHM FC(F)(F)CN(CCOc1cccc(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000822718294 606506406 /nfs/dbraw/zinc/50/64/06/606506406.db2.gz GXCOHKQIAAUBHV-UHFFFAOYSA-N -1 3 383.399 3.372 20 0 GGADHM FC(F)(F)CN(CCOc1cccc(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000822718294 606506407 /nfs/dbraw/zinc/50/64/07/606506407.db2.gz GXCOHKQIAAUBHV-UHFFFAOYSA-N -1 3 383.399 3.372 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000821882717 606509270 /nfs/dbraw/zinc/50/92/70/606509270.db2.gz IYVJLVQQOCRCBA-SFHVURJKSA-N -1 3 391.456 3.456 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000821882717 606509273 /nfs/dbraw/zinc/50/92/73/606509273.db2.gz IYVJLVQQOCRCBA-SFHVURJKSA-N -1 3 391.456 3.456 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Oc1cccc(NC(=O)c2ccccc2)c1 ZINC000823111167 606514307 /nfs/dbraw/zinc/51/43/07/606514307.db2.gz DFNPJOMANNVIJE-UHFFFAOYSA-N -1 3 399.410 3.267 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Oc1cccc(NC(=O)c2ccccc2)c1 ZINC000823111167 606514309 /nfs/dbraw/zinc/51/43/09/606514309.db2.gz DFNPJOMANNVIJE-UHFFFAOYSA-N -1 3 399.410 3.267 20 0 GGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nc2cc(Cl)ccc2n1C ZINC000820507989 606516277 /nfs/dbraw/zinc/51/62/77/606516277.db2.gz KWSXOGQZNUUSEN-JTQLQIEISA-N -1 3 382.811 3.325 20 0 GGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nc2cc(Cl)ccc2n1C ZINC000820507989 606516279 /nfs/dbraw/zinc/51/62/79/606516279.db2.gz KWSXOGQZNUUSEN-JTQLQIEISA-N -1 3 382.811 3.325 20 0 GGADHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822595708 606521866 /nfs/dbraw/zinc/52/18/66/606521866.db2.gz BURRMMSXKKNHIS-GOSISDBHSA-N -1 3 377.427 3.230 20 0 GGADHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000822595708 606521869 /nfs/dbraw/zinc/52/18/69/606521869.db2.gz BURRMMSXKKNHIS-GOSISDBHSA-N -1 3 377.427 3.230 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(-c2ccncc2)cc1 ZINC000820391456 606523257 /nfs/dbraw/zinc/52/32/57/606523257.db2.gz QBYQBDDXUUSRJL-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(-c2ccncc2)cc1 ZINC000820391456 606523259 /nfs/dbraw/zinc/52/32/59/606523259.db2.gz QBYQBDDXUUSRJL-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000821651752 606524460 /nfs/dbraw/zinc/52/44/60/606524460.db2.gz FWCNOMBTAURYTP-LJQANCHMSA-N -1 3 395.438 3.100 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000821651752 606524462 /nfs/dbraw/zinc/52/44/62/606524462.db2.gz FWCNOMBTAURYTP-LJQANCHMSA-N -1 3 395.438 3.100 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820350360 606529267 /nfs/dbraw/zinc/52/92/67/606529267.db2.gz KLUPAAGRNOHQRJ-WZFJYNIESA-N -1 3 392.463 3.180 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820350360 606529269 /nfs/dbraw/zinc/52/92/69/606529269.db2.gz KLUPAAGRNOHQRJ-WZFJYNIESA-N -1 3 392.463 3.180 20 0 GGADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823359359 606530118 /nfs/dbraw/zinc/53/01/18/606530118.db2.gz MHWIVFSRANJFEW-UHFFFAOYSA-N -1 3 391.460 3.380 20 0 GGADHM CC(C)COC(=O)Nc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820098334 606533764 /nfs/dbraw/zinc/53/37/64/606533764.db2.gz WVHJELJXAIDADP-UHFFFAOYSA-N -1 3 394.435 3.252 20 0 GGADHM CC(C)COC(=O)Nc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820098334 606533766 /nfs/dbraw/zinc/53/37/66/606533766.db2.gz WVHJELJXAIDADP-UHFFFAOYSA-N -1 3 394.435 3.252 20 0 GGADHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000822000554 606547753 /nfs/dbraw/zinc/54/77/53/606547753.db2.gz NUGZPZYCAGRVQW-NSHDSACASA-N -1 3 389.431 3.256 20 0 GGADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000822000554 606547755 /nfs/dbraw/zinc/54/77/55/606547755.db2.gz NUGZPZYCAGRVQW-NSHDSACASA-N -1 3 389.431 3.256 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)C(F)F ZINC000823350183 606549525 /nfs/dbraw/zinc/54/95/25/606549525.db2.gz CFNWAVCIAXUFBC-UHFFFAOYSA-N -1 3 395.316 3.285 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)C(F)F ZINC000823350183 606549527 /nfs/dbraw/zinc/54/95/27/606549527.db2.gz CFNWAVCIAXUFBC-UHFFFAOYSA-N -1 3 395.316 3.285 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000823061042 606550127 /nfs/dbraw/zinc/55/01/27/606550127.db2.gz SWSJLCAJJYINJH-UHFFFAOYSA-N -1 3 385.415 3.150 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000823061042 606550129 /nfs/dbraw/zinc/55/01/29/606550129.db2.gz SWSJLCAJJYINJH-UHFFFAOYSA-N -1 3 385.415 3.150 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000823093591 606551462 /nfs/dbraw/zinc/55/14/62/606551462.db2.gz YRPDUROTXONRDC-QUCCMNQESA-N -1 3 375.476 3.327 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000823093591 606551463 /nfs/dbraw/zinc/55/14/63/606551463.db2.gz YRPDUROTXONRDC-QUCCMNQESA-N -1 3 375.476 3.327 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000823087168 606552359 /nfs/dbraw/zinc/55/23/59/606552359.db2.gz ITMDYBYJUFMJNU-UHFFFAOYSA-N -1 3 383.402 3.094 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000823087168 606552361 /nfs/dbraw/zinc/55/23/61/606552361.db2.gz ITMDYBYJUFMJNU-UHFFFAOYSA-N -1 3 383.402 3.094 20 0 GGADHM C[C@H](N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1(C)CC1 ZINC000820307588 606552384 /nfs/dbraw/zinc/55/23/84/606552384.db2.gz OINVWEUOMFOGKE-ZDUSSCGKSA-N -1 3 381.436 3.299 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823466229 606555216 /nfs/dbraw/zinc/55/52/16/606555216.db2.gz HGDJPBUTAPRWTE-UHFFFAOYSA-N -1 3 394.435 3.478 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823466229 606555217 /nfs/dbraw/zinc/55/52/17/606555217.db2.gz HGDJPBUTAPRWTE-UHFFFAOYSA-N -1 3 394.435 3.478 20 0 GGADHM CC(=O)c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)s1 ZINC000819834206 606556591 /nfs/dbraw/zinc/55/65/91/606556591.db2.gz OHSRMZCRCAWFRF-UHFFFAOYSA-N -1 3 394.359 3.089 20 0 GGADHM CC(=O)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000819834206 606556592 /nfs/dbraw/zinc/55/65/92/606556592.db2.gz OHSRMZCRCAWFRF-UHFFFAOYSA-N -1 3 394.359 3.089 20 0 GGADHM O=C(C=Cc1cccs1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822934838 606557427 /nfs/dbraw/zinc/55/74/27/606557427.db2.gz DCIDHZQEQJBVMA-AATRIKPKSA-N -1 3 378.360 3.286 20 0 GGADHM O=C(C=Cc1cccs1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822934838 606557429 /nfs/dbraw/zinc/55/74/29/606557429.db2.gz DCIDHZQEQJBVMA-AATRIKPKSA-N -1 3 378.360 3.286 20 0 GGADHM O=C(CCc1ccccc1F)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822982188 606557714 /nfs/dbraw/zinc/55/77/14/606557714.db2.gz BJZBWMZBYAPBNG-UHFFFAOYSA-N -1 3 392.337 3.283 20 0 GGADHM O=C(CCc1ccccc1F)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822982188 606557715 /nfs/dbraw/zinc/55/77/15/606557715.db2.gz BJZBWMZBYAPBNG-UHFFFAOYSA-N -1 3 392.337 3.283 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(F)cc1F ZINC000823422168 606558113 /nfs/dbraw/zinc/55/81/13/606558113.db2.gz PIUBOIOQHWKVJA-UHFFFAOYSA-N -1 3 382.273 3.103 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(F)cc1F ZINC000823422168 606558114 /nfs/dbraw/zinc/55/81/14/606558114.db2.gz PIUBOIOQHWKVJA-UHFFFAOYSA-N -1 3 382.273 3.103 20 0 GGADHM CN(C)C(=O)Sc1cccc(COC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000821578345 606558994 /nfs/dbraw/zinc/55/89/94/606558994.db2.gz ZISKERWRDKESTL-UHFFFAOYSA-N -1 3 389.462 3.059 20 0 GGADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(F)c1 ZINC000819883662 606560096 /nfs/dbraw/zinc/56/00/96/606560096.db2.gz KCKBTFGQUSDJGN-SNVBAGLBSA-N -1 3 392.337 3.454 20 0 GGADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(F)c1 ZINC000819883662 606560098 /nfs/dbraw/zinc/56/00/98/606560098.db2.gz KCKBTFGQUSDJGN-SNVBAGLBSA-N -1 3 392.337 3.454 20 0 GGADHM CCCc1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)s1 ZINC000821143369 606560919 /nfs/dbraw/zinc/56/09/19/606560919.db2.gz SZDOKZFRBPIHQO-UHFFFAOYSA-N -1 3 395.391 3.234 20 0 GGADHM CCCc1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000821143369 606560920 /nfs/dbraw/zinc/56/09/20/606560920.db2.gz SZDOKZFRBPIHQO-UHFFFAOYSA-N -1 3 395.391 3.234 20 0 GGADHM COc1cccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000821859391 606560928 /nfs/dbraw/zinc/56/09/28/606560928.db2.gz NRKMPUFDKHGTCV-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM COc1cccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000821859391 606560929 /nfs/dbraw/zinc/56/09/29/606560929.db2.gz NRKMPUFDKHGTCV-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)Nc1cccc(Cl)c1Cl ZINC000823022533 606564833 /nfs/dbraw/zinc/56/48/33/606564833.db2.gz IEWIKIHXILZNQE-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)Nc1cccc(Cl)c1Cl ZINC000823022533 606564834 /nfs/dbraw/zinc/56/48/34/606564834.db2.gz IEWIKIHXILZNQE-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM CC(C)CCN(CCC(C)C)C(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820077078 606565175 /nfs/dbraw/zinc/56/51/75/606565175.db2.gz ZXPXGOKMFZTFGK-UHFFFAOYSA-N -1 3 393.513 3.006 20 0 GGADHM CC(C)CCN(CCC(C)C)C(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820077078 606565176 /nfs/dbraw/zinc/56/51/76/606565176.db2.gz ZXPXGOKMFZTFGK-UHFFFAOYSA-N -1 3 393.513 3.006 20 0 GGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc2ccccc21 ZINC000820507659 606565337 /nfs/dbraw/zinc/56/53/37/606565337.db2.gz JDYYZJXNWYQOBX-NSHDSACASA-N -1 3 393.428 3.265 20 0 GGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc2ccccc21 ZINC000820507659 606565338 /nfs/dbraw/zinc/56/53/38/606565338.db2.gz JDYYZJXNWYQOBX-NSHDSACASA-N -1 3 393.428 3.265 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820334757 606566212 /nfs/dbraw/zinc/56/62/12/606566212.db2.gz PQNUSASMBJCLFJ-AWEZNQCLSA-N -1 3 389.463 3.217 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820334757 606566213 /nfs/dbraw/zinc/56/62/13/606566213.db2.gz PQNUSASMBJCLFJ-AWEZNQCLSA-N -1 3 389.463 3.217 20 0 GGADHM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821034867 606572922 /nfs/dbraw/zinc/57/29/22/606572922.db2.gz VVAMWTOCPZSQDM-CZUORRHYSA-N -1 3 379.424 3.364 20 0 GGADHM CC[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)Oc1cccc(C)c1 ZINC000820907130 606574362 /nfs/dbraw/zinc/57/43/62/606574362.db2.gz CCXVHXOIMPOSOT-MRXNPFEDSA-N -1 3 380.452 3.463 20 0 GGADHM CC[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)Oc1cccc(C)c1 ZINC000820907130 606574365 /nfs/dbraw/zinc/57/43/65/606574365.db2.gz CCXVHXOIMPOSOT-MRXNPFEDSA-N -1 3 380.452 3.463 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000821413171 606574750 /nfs/dbraw/zinc/57/47/50/606574750.db2.gz WXQKOIYJGOGLTK-SNVBAGLBSA-N -1 3 388.378 3.426 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000821413171 606574752 /nfs/dbraw/zinc/57/47/52/606574752.db2.gz WXQKOIYJGOGLTK-SNVBAGLBSA-N -1 3 388.378 3.426 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820380294 606576021 /nfs/dbraw/zinc/57/60/21/606576021.db2.gz PLDVSUODIJYVBQ-RLFDGXBXSA-N -1 3 382.399 3.081 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820380294 606576023 /nfs/dbraw/zinc/57/60/23/606576023.db2.gz PLDVSUODIJYVBQ-RLFDGXBXSA-N -1 3 382.399 3.081 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000821761945 606576678 /nfs/dbraw/zinc/57/66/78/606576678.db2.gz HFWRRPBURJKORH-UHFFFAOYSA-N -1 3 384.362 3.072 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000821761945 606576679 /nfs/dbraw/zinc/57/66/79/606576679.db2.gz HFWRRPBURJKORH-UHFFFAOYSA-N -1 3 384.362 3.072 20 0 GGADHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820046814 606583934 /nfs/dbraw/zinc/58/39/34/606583934.db2.gz UYFDIZMJJLAZPO-YWZLYKJASA-N -1 3 391.475 3.325 20 0 GGADHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820046814 606583936 /nfs/dbraw/zinc/58/39/36/606583936.db2.gz UYFDIZMJJLAZPO-YWZLYKJASA-N -1 3 391.475 3.325 20 0 GGADHM C[C@H](Cc1ccncc1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820299676 606587956 /nfs/dbraw/zinc/58/79/56/606587956.db2.gz IUQXIAYOPGPMTB-OAHLLOKOSA-N -1 3 384.443 3.290 20 0 GGADHM C[C@H](Cc1ccncc1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820299676 606587958 /nfs/dbraw/zinc/58/79/58/606587958.db2.gz IUQXIAYOPGPMTB-OAHLLOKOSA-N -1 3 384.443 3.290 20 0 GGADHM CC(=O)Nc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819825977 606588498 /nfs/dbraw/zinc/58/84/98/606588498.db2.gz AXTNEYUQJNQOQS-UHFFFAOYSA-N -1 3 375.335 3.006 20 0 GGADHM CC(=O)Nc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819825977 606588500 /nfs/dbraw/zinc/58/85/00/606588500.db2.gz AXTNEYUQJNQOQS-UHFFFAOYSA-N -1 3 375.335 3.006 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC[C@@H]1SCCc2ccccc21 ZINC000822930092 606589189 /nfs/dbraw/zinc/58/91/89/606589189.db2.gz YGVGFNDCWGBCMW-BBVFFXRHSA-N -1 3 377.473 3.027 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC[C@@H]1SCCc2ccccc21 ZINC000822930092 606589191 /nfs/dbraw/zinc/58/91/91/606589191.db2.gz YGVGFNDCWGBCMW-BBVFFXRHSA-N -1 3 377.473 3.027 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2ccccc2F)cs1 ZINC000823109053 606592071 /nfs/dbraw/zinc/59/20/71/606592071.db2.gz WOEHSNOYVOFEHB-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2ccccc2F)cs1 ZINC000823109053 606592073 /nfs/dbraw/zinc/59/20/73/606592073.db2.gz WOEHSNOYVOFEHB-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM CC[C@H](O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000820931051 606594953 /nfs/dbraw/zinc/59/49/53/606594953.db2.gz ATDAIQFNJWLPQL-HNNXBMFYSA-N -1 3 376.363 3.491 20 0 GGADHM CC[C@H](O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000820931051 606594955 /nfs/dbraw/zinc/59/49/55/606594955.db2.gz ATDAIQFNJWLPQL-HNNXBMFYSA-N -1 3 376.363 3.491 20 0 GGADHM CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820020127 606596812 /nfs/dbraw/zinc/59/68/12/606596812.db2.gz BZHJPHUQCOGTKP-GOSISDBHSA-N -1 3 398.442 3.057 20 0 GGADHM CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820020127 606596813 /nfs/dbraw/zinc/59/68/13/606596813.db2.gz BZHJPHUQCOGTKP-GOSISDBHSA-N -1 3 398.442 3.057 20 0 GGADHM CCCCNC(=O)[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821065597 606598405 /nfs/dbraw/zinc/59/84/05/606598405.db2.gz LAYYDCFPWJXQEH-JTQLQIEISA-N -1 3 385.440 3.006 20 0 GGADHM CCCCNC(=O)[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821065597 606598407 /nfs/dbraw/zinc/59/84/07/606598407.db2.gz LAYYDCFPWJXQEH-JTQLQIEISA-N -1 3 385.440 3.006 20 0 GGADHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(=O)NC(C)(C)C ZINC000820550152 606598438 /nfs/dbraw/zinc/59/84/38/606598438.db2.gz VBLAPYXJWRQJBI-SECBINFHSA-N -1 3 385.440 3.005 20 0 GGADHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(=O)NC(C)(C)C ZINC000820550152 606598439 /nfs/dbraw/zinc/59/84/39/606598439.db2.gz VBLAPYXJWRQJBI-SECBINFHSA-N -1 3 385.440 3.005 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cccc(Cl)c1C ZINC000821309045 606599831 /nfs/dbraw/zinc/59/98/31/606599831.db2.gz JQJGNCSSPFJFDX-UHFFFAOYSA-N -1 3 385.859 3.311 20 0 GGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000254971513 606601651 /nfs/dbraw/zinc/60/16/51/606601651.db2.gz XATOHLZXBKAVFX-BENRWUELSA-N -1 3 385.374 3.188 20 0 GGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000254971513 606601652 /nfs/dbraw/zinc/60/16/52/606601652.db2.gz XATOHLZXBKAVFX-BENRWUELSA-N -1 3 385.374 3.188 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)c1ccncc1 ZINC000820087148 606603159 /nfs/dbraw/zinc/60/31/59/606603159.db2.gz MIQWHJXFWATYMB-INIZCTEOSA-N -1 3 393.495 3.233 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)c1ccncc1 ZINC000820087148 606603161 /nfs/dbraw/zinc/60/31/61/606603161.db2.gz MIQWHJXFWATYMB-INIZCTEOSA-N -1 3 393.495 3.233 20 0 GGADHM O=C(NC[C@H](CO)c1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823161279 606604168 /nfs/dbraw/zinc/60/41/68/606604168.db2.gz LSODXNDKSGIXGS-QGZVFWFLSA-N -1 3 399.454 3.040 20 0 GGADHM O=C(NC[C@H](CO)c1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823161279 606604169 /nfs/dbraw/zinc/60/41/69/606604169.db2.gz LSODXNDKSGIXGS-QGZVFWFLSA-N -1 3 399.454 3.040 20 0 GGADHM COC(=O)c1c(C2CC2)csc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821666963 606605949 /nfs/dbraw/zinc/60/59/49/606605949.db2.gz NWDTUGDVGUZLJU-CMDGGOBGSA-N -1 3 395.444 3.244 20 0 GGADHM COC(=O)c1c(C2CC2)csc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821666963 606605951 /nfs/dbraw/zinc/60/59/51/606605951.db2.gz NWDTUGDVGUZLJU-CMDGGOBGSA-N -1 3 395.444 3.244 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)Oc1cccc(F)c1 ZINC000820908749 606607484 /nfs/dbraw/zinc/60/74/84/606607484.db2.gz PXXWQZURIVQDLI-SUMWQHHRSA-N -1 3 398.442 3.224 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)Oc1cccc(F)c1 ZINC000820908749 606607486 /nfs/dbraw/zinc/60/74/86/606607486.db2.gz PXXWQZURIVQDLI-SUMWQHHRSA-N -1 3 398.442 3.224 20 0 GGADHM COC(=O)CCC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000821660649 606611335 /nfs/dbraw/zinc/61/13/35/606611335.db2.gz YNWNBXGWMMVZGX-UHFFFAOYSA-N -1 3 383.374 3.055 20 0 GGADHM Brc1cccc(Cc2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000819688393 606619384 /nfs/dbraw/zinc/61/93/84/606619384.db2.gz ICXXUZIFEOMJHO-UHFFFAOYSA-N -1 3 397.236 3.194 20 0 GGADHM Brc1cccc(Cc2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000819688393 606619385 /nfs/dbraw/zinc/61/93/85/606619385.db2.gz ICXXUZIFEOMJHO-UHFFFAOYSA-N -1 3 397.236 3.194 20 0 GGADHM Cc1ccc(/C=C\CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822232986 606621442 /nfs/dbraw/zinc/62/14/42/606621442.db2.gz FYSIZAZSFBPSKD-IHWYPQMZSA-N -1 3 385.431 3.403 20 0 GGADHM O=C(CNc1ccc2c(c1)C(=O)CCC2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823014945 606625518 /nfs/dbraw/zinc/62/55/18/606625518.db2.gz YBZOJBCHXBNNBK-UHFFFAOYSA-N -1 3 396.838 3.090 20 0 GGADHM O=C(CNc1ccc2c(c1)C(=O)CCC2)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823014945 606625520 /nfs/dbraw/zinc/62/55/20/606625520.db2.gz YBZOJBCHXBNNBK-UHFFFAOYSA-N -1 3 396.838 3.090 20 0 GGADHM Cc1csc2nc(CSc3ccc(Cl)cc3-c3nnn[n-]3)cc(=O)n12 ZINC000822414628 606630700 /nfs/dbraw/zinc/63/07/00/606630700.db2.gz NTUXSCNKOVEDLH-UHFFFAOYSA-N -1 3 390.881 3.190 20 0 GGADHM Cc1csc2nc(CSc3ccc(Cl)cc3-c3nn[n-]n3)cc(=O)n12 ZINC000822414628 606630701 /nfs/dbraw/zinc/63/07/01/606630701.db2.gz NTUXSCNKOVEDLH-UHFFFAOYSA-N -1 3 390.881 3.190 20 0 GGADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)NCc1ccccc1F ZINC000823066184 606630759 /nfs/dbraw/zinc/63/07/59/606630759.db2.gz OPGFJVSMOKDHQG-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)NCc1ccccc1F ZINC000823066184 606630761 /nfs/dbraw/zinc/63/07/61/606630761.db2.gz OPGFJVSMOKDHQG-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cnn(C)c1 ZINC000819864987 606631166 /nfs/dbraw/zinc/63/11/66/606631166.db2.gz BPQKXTHGEGXEQU-CYBMUJFWSA-N -1 3 389.419 3.135 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cnn(C)c1 ZINC000819864987 606631168 /nfs/dbraw/zinc/63/11/68/606631168.db2.gz BPQKXTHGEGXEQU-CYBMUJFWSA-N -1 3 389.419 3.135 20 0 GGADHM Cc1cc(F)ccc1N(CC[C@H]1CCOC1=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822206002 606631729 /nfs/dbraw/zinc/63/17/29/606631729.db2.gz QJRHBIBUQZBKOC-INIZCTEOSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1cc(F)ccc1N(CC[C@H]1CCOC1=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822206002 606631731 /nfs/dbraw/zinc/63/17/31/606631731.db2.gz QJRHBIBUQZBKOC-INIZCTEOSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1cccnc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822370292 606632224 /nfs/dbraw/zinc/63/22/24/606632224.db2.gz VUPHWWHFIMVMFE-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1cccnc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822370292 606632225 /nfs/dbraw/zinc/63/22/25/606632225.db2.gz VUPHWWHFIMVMFE-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](c2ccco2)C1 ZINC000822204728 606633309 /nfs/dbraw/zinc/63/33/09/606633309.db2.gz YUODAFCMQCUQNC-MRXNPFEDSA-N -1 3 380.383 3.033 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](c2ccco2)C1 ZINC000822204728 606633310 /nfs/dbraw/zinc/63/33/10/606633310.db2.gz YUODAFCMQCUQNC-MRXNPFEDSA-N -1 3 380.383 3.033 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(F)cc1F ZINC000823061111 606635468 /nfs/dbraw/zinc/63/54/68/606635468.db2.gz WHVLCXHPZZSLEY-UHFFFAOYSA-N -1 3 376.388 3.122 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(F)cc1F ZINC000823061111 606635469 /nfs/dbraw/zinc/63/54/69/606635469.db2.gz WHVLCXHPZZSLEY-UHFFFAOYSA-N -1 3 376.388 3.122 20 0 GGADHM Cn1c2ccccc2nc1[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822595606 606637571 /nfs/dbraw/zinc/63/75/71/606637571.db2.gz AHJCEGYWICGLGI-OAHLLOKOSA-N -1 3 380.843 3.143 20 0 GGADHM Cn1c2ccccc2nc1[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822595606 606637572 /nfs/dbraw/zinc/63/75/72/606637572.db2.gz AHJCEGYWICGLGI-OAHLLOKOSA-N -1 3 380.843 3.143 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1c(C)cccc1Cl ZINC000821393834 606639254 /nfs/dbraw/zinc/63/92/54/606639254.db2.gz CQGAKHFCAJVPST-UHFFFAOYSA-N -1 3 387.827 3.245 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1c(C)cccc1Cl ZINC000821393834 606639255 /nfs/dbraw/zinc/63/92/55/606639255.db2.gz CQGAKHFCAJVPST-UHFFFAOYSA-N -1 3 387.827 3.245 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374926 606641568 /nfs/dbraw/zinc/64/15/68/606641568.db2.gz TZEFNRUMWCFWJZ-GFCCVEGCSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374926 606641569 /nfs/dbraw/zinc/64/15/69/606641569.db2.gz TZEFNRUMWCFWJZ-GFCCVEGCSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820372542 606641764 /nfs/dbraw/zinc/64/17/64/606641764.db2.gz APGUVZHAPGXBAN-GFCCVEGCSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820372542 606641765 /nfs/dbraw/zinc/64/17/65/606641765.db2.gz APGUVZHAPGXBAN-GFCCVEGCSA-N -1 3 375.392 3.404 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000821612424 606642065 /nfs/dbraw/zinc/64/20/65/606642065.db2.gz UXKSHQHNWXWLKN-UHFFFAOYSA-N -1 3 375.392 3.186 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000821612424 606642066 /nfs/dbraw/zinc/64/20/66/606642066.db2.gz UXKSHQHNWXWLKN-UHFFFAOYSA-N -1 3 375.392 3.186 20 0 GGADHM Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822693415 606653653 /nfs/dbraw/zinc/65/36/53/606653653.db2.gz CRIIWXYLDFOTIR-SFHVURJKSA-N -1 3 388.431 3.131 20 0 GGADHM Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822693415 606653654 /nfs/dbraw/zinc/65/36/54/606653654.db2.gz CRIIWXYLDFOTIR-SFHVURJKSA-N -1 3 388.431 3.131 20 0 GGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCOCC1 ZINC000820512986 606654138 /nfs/dbraw/zinc/65/41/38/606654138.db2.gz RRKHIYQTBLMNSI-CYBMUJFWSA-N -1 3 395.419 3.026 20 0 GGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCOCC1 ZINC000820512986 606654139 /nfs/dbraw/zinc/65/41/39/606654139.db2.gz RRKHIYQTBLMNSI-CYBMUJFWSA-N -1 3 395.419 3.026 20 0 GGADHM c1cc(COc2cccc(NCc3noc(C4CC4)n3)c2)cc(-c2nnn[n-]2)c1 ZINC000823757315 606657072 /nfs/dbraw/zinc/65/70/72/606657072.db2.gz OLYJMHWMIWCSKO-UHFFFAOYSA-N -1 3 389.419 3.318 20 0 GGADHM c1cc(COc2cccc(NCc3noc(C4CC4)n3)c2)cc(-c2nn[n-]n2)c1 ZINC000823757315 606657073 /nfs/dbraw/zinc/65/70/73/606657073.db2.gz OLYJMHWMIWCSKO-UHFFFAOYSA-N -1 3 389.419 3.318 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822477092 606657247 /nfs/dbraw/zinc/65/72/47/606657247.db2.gz GCXDQCZNVBLYEJ-LMRWQKIVSA-N -1 3 399.458 3.251 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000822477092 606657248 /nfs/dbraw/zinc/65/72/48/606657248.db2.gz GCXDQCZNVBLYEJ-LMRWQKIVSA-N -1 3 399.458 3.251 20 0 GGADHM C[C@H](c1ccco1)N(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1 ZINC000820570890 606657389 /nfs/dbraw/zinc/65/73/89/606657389.db2.gz STZMSGSVIBASDT-GFCCVEGCSA-N -1 3 377.408 3.235 20 0 GGADHM C[C@H](c1ccco1)N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000820570890 606657390 /nfs/dbraw/zinc/65/73/90/606657390.db2.gz STZMSGSVIBASDT-GFCCVEGCSA-N -1 3 377.408 3.235 20 0 GGADHM COc1ccc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1-c1nnn[n-]1 ZINC000821821146 606657501 /nfs/dbraw/zinc/65/75/01/606657501.db2.gz AFRJHQBRCCFOBQ-UYAOXDASSA-N -1 3 395.463 3.170 20 0 GGADHM COc1ccc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1-c1nn[n-]n1 ZINC000821821146 606657502 /nfs/dbraw/zinc/65/75/02/606657502.db2.gz AFRJHQBRCCFOBQ-UYAOXDASSA-N -1 3 395.463 3.170 20 0 GGADHM O=C(NCc1ccc(Cl)cc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823250228 606661480 /nfs/dbraw/zinc/66/14/80/606661480.db2.gz UHBRXCRDORKKIS-UHFFFAOYSA-N -1 3 384.173 3.382 20 0 GGADHM O=C(NCc1ccc(Cl)cc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823250228 606661481 /nfs/dbraw/zinc/66/14/81/606661481.db2.gz UHBRXCRDORKKIS-UHFFFAOYSA-N -1 3 384.173 3.382 20 0 GGADHM O=C(NCC1(c2ccccc2)CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823171242 606664667 /nfs/dbraw/zinc/66/46/67/606664667.db2.gz RJLLUXARMCDZRG-UHFFFAOYSA-N -1 3 383.402 3.387 20 0 GGADHM O=C(NCC1(c2ccccc2)CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823171242 606664668 /nfs/dbraw/zinc/66/46/68/606664668.db2.gz RJLLUXARMCDZRG-UHFFFAOYSA-N -1 3 383.402 3.387 20 0 GGADHM O=C(C=C1CCC1)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822916724 606664813 /nfs/dbraw/zinc/66/48/13/606664813.db2.gz BFZKURQGGYIJEY-UHFFFAOYSA-N -1 3 385.478 3.059 20 0 GGADHM O=C(C=C1CCC1)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822916724 606664814 /nfs/dbraw/zinc/66/48/14/606664814.db2.gz BFZKURQGGYIJEY-UHFFFAOYSA-N -1 3 385.478 3.059 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821614363 606665240 /nfs/dbraw/zinc/66/52/40/606665240.db2.gz BXZJSRJRGPOAPU-UHFFFAOYSA-N -1 3 397.307 3.436 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821614363 606665241 /nfs/dbraw/zinc/66/52/41/606665241.db2.gz BXZJSRJRGPOAPU-UHFFFAOYSA-N -1 3 397.307 3.436 20 0 GGADHM COc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(OC)cc1Cl ZINC000821719285 606665498 /nfs/dbraw/zinc/66/54/98/606665498.db2.gz ADPBLRRNTZPPGA-UHFFFAOYSA-N -1 3 395.753 3.068 20 0 GGADHM COc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(OC)cc1Cl ZINC000821719285 606665499 /nfs/dbraw/zinc/66/54/99/606665499.db2.gz ADPBLRRNTZPPGA-UHFFFAOYSA-N -1 3 395.753 3.068 20 0 GGADHM CN(C)c1ccc(Cl)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821589252 606666332 /nfs/dbraw/zinc/66/63/32/606666332.db2.gz FOMSYXXTRUICMK-UHFFFAOYSA-N -1 3 378.770 3.117 20 0 GGADHM CN(C)c1ccc(Cl)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821589252 606666333 /nfs/dbraw/zinc/66/63/33/606666333.db2.gz FOMSYXXTRUICMK-UHFFFAOYSA-N -1 3 378.770 3.117 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1ccc(F)c(F)c1 ZINC000821390261 606666377 /nfs/dbraw/zinc/66/63/77/606666377.db2.gz WDSXZRJBQGAJOI-UHFFFAOYSA-N -1 3 394.765 3.345 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1ccc(F)c(F)c1 ZINC000821390261 606666378 /nfs/dbraw/zinc/66/63/78/606666378.db2.gz WDSXZRJBQGAJOI-UHFFFAOYSA-N -1 3 394.765 3.345 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000821100088 606667693 /nfs/dbraw/zinc/66/76/93/606667693.db2.gz SYWXJBMGQQPXDG-WOJBJXKFSA-N -1 3 375.476 3.484 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000821100088 606667694 /nfs/dbraw/zinc/66/76/94/606667694.db2.gz SYWXJBMGQQPXDG-WOJBJXKFSA-N -1 3 375.476 3.484 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(OC(F)F)c1 ZINC000820384958 606670092 /nfs/dbraw/zinc/67/00/92/606670092.db2.gz NQGLXNZDLNTCDJ-QMMMGPOBSA-N -1 3 395.316 3.237 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(OC(F)F)c1 ZINC000820384958 606670093 /nfs/dbraw/zinc/67/00/93/606670093.db2.gz NQGLXNZDLNTCDJ-QMMMGPOBSA-N -1 3 395.316 3.237 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342942 606670926 /nfs/dbraw/zinc/67/09/26/606670926.db2.gz YVCUVRGGNOSYAZ-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342942 606670927 /nfs/dbraw/zinc/67/09/27/606670927.db2.gz YVCUVRGGNOSYAZ-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@](C)(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342537 606671067 /nfs/dbraw/zinc/67/10/67/606671067.db2.gz VPIJNUIPAPRDRT-QVKFZJNVSA-N -1 3 376.464 3.301 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@](C)(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342537 606671068 /nfs/dbraw/zinc/67/10/68/606671068.db2.gz VPIJNUIPAPRDRT-QVKFZJNVSA-N -1 3 376.464 3.301 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@]1(C)CCCO1 ZINC000822206038 606671229 /nfs/dbraw/zinc/67/12/29/606671229.db2.gz RSLFOYCDTZKOJB-OAQYLSRUSA-N -1 3 395.438 3.417 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@]1(C)CCCO1 ZINC000822206038 606671230 /nfs/dbraw/zinc/67/12/30/606671230.db2.gz RSLFOYCDTZKOJB-OAQYLSRUSA-N -1 3 395.438 3.417 20 0 GGADHM O=C(NCc1ccccc1OC1CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823261761 606671457 /nfs/dbraw/zinc/67/14/57/606671457.db2.gz RUJJNSQKMWPJBT-UHFFFAOYSA-N -1 3 399.401 3.396 20 0 GGADHM O=C(NCc1ccccc1OC1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823261761 606671458 /nfs/dbraw/zinc/67/14/58/606671458.db2.gz RUJJNSQKMWPJBT-UHFFFAOYSA-N -1 3 399.401 3.396 20 0 GGADHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823161640 606673108 /nfs/dbraw/zinc/67/31/08/606673108.db2.gz PBHQFGZJXNYBSU-CQSZACIVSA-N -1 3 375.766 3.216 20 0 GGADHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823161640 606673109 /nfs/dbraw/zinc/67/31/09/606673109.db2.gz PBHQFGZJXNYBSU-CQSZACIVSA-N -1 3 375.766 3.216 20 0 GGADHM CN(C(=O)c1c(F)cc(Br)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000821572188 606674608 /nfs/dbraw/zinc/67/46/08/606674608.db2.gz VGYHLXSOERINBQ-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CN(C(=O)c1c(F)cc(Br)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000821572188 606674609 /nfs/dbraw/zinc/67/46/09/606674609.db2.gz VGYHLXSOERINBQ-UHFFFAOYSA-N -1 3 394.179 3.184 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821430688 606676065 /nfs/dbraw/zinc/67/60/65/606676065.db2.gz DGLLWOONZJUXIL-OAHLLOKOSA-N -1 3 387.390 3.425 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821430688 606676066 /nfs/dbraw/zinc/67/60/66/606676066.db2.gz DGLLWOONZJUXIL-OAHLLOKOSA-N -1 3 387.390 3.425 20 0 GGADHM CCCCC[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000821043009 606676739 /nfs/dbraw/zinc/67/67/39/606676739.db2.gz KJESGSAREHMFKW-SFHVURJKSA-N -1 3 399.543 3.199 20 0 GGADHM CCCCC[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000821043009 606676740 /nfs/dbraw/zinc/67/67/40/606676740.db2.gz KJESGSAREHMFKW-SFHVURJKSA-N -1 3 399.543 3.199 20 0 GGADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820607152 606676769 /nfs/dbraw/zinc/67/67/69/606676769.db2.gz KAWJDNNIIBGJCR-INIZCTEOSA-N -1 3 399.401 3.137 20 0 GGADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820607152 606676770 /nfs/dbraw/zinc/67/67/70/606676770.db2.gz KAWJDNNIIBGJCR-INIZCTEOSA-N -1 3 399.401 3.137 20 0 GGADHM CCc1c(C)sc(NC(=O)C2=Cc3cc(OC)ccc3OC2)c1-c1nnn[n-]1 ZINC000821465958 606677088 /nfs/dbraw/zinc/67/70/88/606677088.db2.gz RYEVXIVPPVDDGB-UHFFFAOYSA-N -1 3 397.460 3.222 20 0 GGADHM CCc1c(C)sc(NC(=O)C2=Cc3cc(OC)ccc3OC2)c1-c1nn[n-]n1 ZINC000821465958 606677089 /nfs/dbraw/zinc/67/70/89/606677089.db2.gz RYEVXIVPPVDDGB-UHFFFAOYSA-N -1 3 397.460 3.222 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823299015 606677223 /nfs/dbraw/zinc/67/72/23/606677223.db2.gz CUQVIHPTTTWBCJ-KGLIPLIRSA-N -1 3 385.374 3.285 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823299015 606677224 /nfs/dbraw/zinc/67/72/24/606677224.db2.gz CUQVIHPTTTWBCJ-KGLIPLIRSA-N -1 3 385.374 3.285 20 0 GGADHM O=C(OCc1nc(Cl)ccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440431 606677303 /nfs/dbraw/zinc/67/73/03/606677303.db2.gz TVXOPZZUVJHTCS-UHFFFAOYSA-N -1 3 386.145 3.204 20 0 GGADHM O=C(OCc1nc(Cl)ccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440431 606677304 /nfs/dbraw/zinc/67/73/04/606677304.db2.gz TVXOPZZUVJHTCS-UHFFFAOYSA-N -1 3 386.145 3.204 20 0 GGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820016414 606678121 /nfs/dbraw/zinc/67/81/21/606678121.db2.gz LXJHXRCHJLEONE-QMMMGPOBSA-N -1 3 377.317 3.194 20 0 GGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820016414 606678122 /nfs/dbraw/zinc/67/81/22/606678122.db2.gz LXJHXRCHJLEONE-QMMMGPOBSA-N -1 3 377.317 3.194 20 0 GGADHM COc1ccc(OC(C)C)c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821837389 606678303 /nfs/dbraw/zinc/67/83/03/606678303.db2.gz DJRKEAAGJDXEKI-UHFFFAOYSA-N -1 3 389.362 3.193 20 0 GGADHM COc1ccc(OC(C)C)c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821837389 606678304 /nfs/dbraw/zinc/67/83/04/606678304.db2.gz DJRKEAAGJDXEKI-UHFFFAOYSA-N -1 3 389.362 3.193 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822459254 606679425 /nfs/dbraw/zinc/67/94/25/606679425.db2.gz OTRNOBMHGFESIH-ZDUSSCGKSA-N -1 3 390.419 3.059 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822459254 606679426 /nfs/dbraw/zinc/67/94/26/606679426.db2.gz OTRNOBMHGFESIH-ZDUSSCGKSA-N -1 3 390.419 3.059 20 0 GGADHM COc1ccc(Cl)cc1N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821827702 606679876 /nfs/dbraw/zinc/67/98/76/606679876.db2.gz IVVUMUHRZKDEEG-UHFFFAOYSA-N -1 3 379.754 3.084 20 0 GGADHM COc1ccc(Cl)cc1N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821827702 606679877 /nfs/dbraw/zinc/67/98/77/606679877.db2.gz IVVUMUHRZKDEEG-UHFFFAOYSA-N -1 3 379.754 3.084 20 0 GGADHM CN(CCc1ccc(Cl)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821605143 606679958 /nfs/dbraw/zinc/67/99/58/606679958.db2.gz WVNUONCWETTZFE-UHFFFAOYSA-N -1 3 377.782 3.113 20 0 GGADHM CN(CCc1ccc(Cl)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821605143 606679959 /nfs/dbraw/zinc/67/99/59/606679959.db2.gz WVNUONCWETTZFE-UHFFFAOYSA-N -1 3 377.782 3.113 20 0 GGADHM O=C(C[C@H]1CCCCO1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822940778 606682304 /nfs/dbraw/zinc/68/23/04/606682304.db2.gz DMRUKMPGZDYEER-OAHLLOKOSA-N -1 3 383.477 3.171 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)cc(C(F)(F)F)c1 ZINC000823239277 606683706 /nfs/dbraw/zinc/68/37/06/606683706.db2.gz ZISGXDZHAQKPCI-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc(C(F)(F)F)c1 ZINC000823239277 606683707 /nfs/dbraw/zinc/68/37/07/606683707.db2.gz ZISGXDZHAQKPCI-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823176849 606686805 /nfs/dbraw/zinc/68/68/05/606686805.db2.gz ZYHZHGMBDCRMTF-WPRPVWTQSA-N -1 3 389.328 3.243 20 0 GGADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823176849 606686806 /nfs/dbraw/zinc/68/68/06/606686806.db2.gz ZYHZHGMBDCRMTF-WPRPVWTQSA-N -1 3 389.328 3.243 20 0 GGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823176848 606686978 /nfs/dbraw/zinc/68/69/78/606686978.db2.gz ZYHZHGMBDCRMTF-WCBMZHEXSA-N -1 3 389.328 3.243 20 0 GGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823176848 606686979 /nfs/dbraw/zinc/68/69/79/606686979.db2.gz ZYHZHGMBDCRMTF-WCBMZHEXSA-N -1 3 389.328 3.243 20 0 GGADHM Cc1ccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(OCC2CC2)c1 ZINC000822237441 606688443 /nfs/dbraw/zinc/68/84/43/606688443.db2.gz UBTXUSKCJADPQL-UHFFFAOYSA-N -1 3 391.475 3.213 20 0 GGADHM Cc1ccc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(OCC2CC2)c1 ZINC000822237441 606688444 /nfs/dbraw/zinc/68/84/44/606688444.db2.gz UBTXUSKCJADPQL-UHFFFAOYSA-N -1 3 391.475 3.213 20 0 GGADHM Cc1ccc(CNC(=O)c2sccc2-c2nnn[n-]2)c(OCC(F)(F)F)c1 ZINC000822238438 606689079 /nfs/dbraw/zinc/68/90/79/606689079.db2.gz HWDJIUDYCNIZFT-UHFFFAOYSA-N -1 3 397.382 3.108 20 0 GGADHM Cc1ccc(CNC(=O)c2sccc2-c2nn[n-]n2)c(OCC(F)(F)F)c1 ZINC000822238438 606689080 /nfs/dbraw/zinc/68/90/80/606689080.db2.gz HWDJIUDYCNIZFT-UHFFFAOYSA-N -1 3 397.382 3.108 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820988674 606689831 /nfs/dbraw/zinc/68/98/31/606689831.db2.gz HDYDYXTUZQKOIZ-OAHLLOKOSA-N -1 3 377.448 3.318 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820988674 606689832 /nfs/dbraw/zinc/68/98/32/606689832.db2.gz HDYDYXTUZQKOIZ-OAHLLOKOSA-N -1 3 377.448 3.318 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2ccncc21 ZINC000823060998 606693034 /nfs/dbraw/zinc/69/30/34/606693034.db2.gz RGRYLDQKSWVCKF-UHFFFAOYSA-N -1 3 376.445 3.287 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccncc21 ZINC000823060998 606693035 /nfs/dbraw/zinc/69/30/35/606693035.db2.gz RGRYLDQKSWVCKF-UHFFFAOYSA-N -1 3 376.445 3.287 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000822934712 606693868 /nfs/dbraw/zinc/69/38/68/606693868.db2.gz CQQLPTGNYDFMML-KHPPLWFESA-N -1 3 399.414 3.446 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000822934712 606693869 /nfs/dbraw/zinc/69/38/69/606693869.db2.gz CQQLPTGNYDFMML-KHPPLWFESA-N -1 3 399.414 3.446 20 0 GGADHM O=C(Nc1cc(C2CC2)nc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000823299510 606695261 /nfs/dbraw/zinc/69/52/61/606695261.db2.gz ZWIURFULSRJWIP-UHFFFAOYSA-N -1 3 391.822 3.015 20 0 GGADHM O=C(Nc1cc(C2CC2)nc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000823299510 606695262 /nfs/dbraw/zinc/69/52/62/606695262.db2.gz ZWIURFULSRJWIP-UHFFFAOYSA-N -1 3 391.822 3.015 20 0 GGADHM CC[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820988584 606695572 /nfs/dbraw/zinc/69/55/72/606695572.db2.gz GQQGSFXXLNWJDM-GFCCVEGCSA-N -1 3 383.481 3.178 20 0 GGADHM CC[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820988584 606695573 /nfs/dbraw/zinc/69/55/73/606695573.db2.gz GQQGSFXXLNWJDM-GFCCVEGCSA-N -1 3 383.481 3.178 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000821407097 606696326 /nfs/dbraw/zinc/69/63/26/606696326.db2.gz ONTCUUSCRXDMJQ-HNNXBMFYSA-N -1 3 396.426 3.426 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000821407097 606696327 /nfs/dbraw/zinc/69/63/27/606696327.db2.gz ONTCUUSCRXDMJQ-HNNXBMFYSA-N -1 3 396.426 3.426 20 0 GGADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820988223 606696364 /nfs/dbraw/zinc/69/63/64/606696364.db2.gz DIDOVIQGNJJKES-CYBMUJFWSA-N -1 3 379.424 3.318 20 0 GGADHM CO[C@@H](C)c1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000821673655 606702609 /nfs/dbraw/zinc/70/26/09/606702609.db2.gz HWPJMDGLGNDKOL-LBPRGKRZSA-N -1 3 377.408 3.236 20 0 GGADHM CO[C@@H](C)c1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000821673655 606702610 /nfs/dbraw/zinc/70/26/10/606702610.db2.gz HWPJMDGLGNDKOL-LBPRGKRZSA-N -1 3 377.408 3.236 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541301 606719535 /nfs/dbraw/zinc/71/95/35/606719535.db2.gz NBNQTPSXSVFMCB-SPLOXXLWSA-N -1 3 394.479 3.067 20 0 GGADHM CCC(=O)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000820837609 606727442 /nfs/dbraw/zinc/72/74/42/606727442.db2.gz KFCQMJAKEHIJKR-UHFFFAOYSA-N -1 3 387.346 3.313 20 0 GGADHM CCC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000820837609 606727444 /nfs/dbraw/zinc/72/74/44/606727444.db2.gz KFCQMJAKEHIJKR-UHFFFAOYSA-N -1 3 387.346 3.313 20 0 GGADHM Fc1cccc(F)c1N1CC[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822736570 606727934 /nfs/dbraw/zinc/72/79/34/606727934.db2.gz HCWAYENBQQPIQU-JTQLQIEISA-N -1 3 378.333 3.114 20 0 GGADHM Fc1cccc(F)c1N1CC[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822736570 606727936 /nfs/dbraw/zinc/72/79/36/606727936.db2.gz HCWAYENBQQPIQU-JTQLQIEISA-N -1 3 378.333 3.114 20 0 GGADHM CCCCN1CCc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821065606 606747375 /nfs/dbraw/zinc/74/73/75/606747375.db2.gz LCNHBWKOZCLESI-UHFFFAOYSA-N -1 3 376.464 3.211 20 0 GGADHM CCCCN1CCc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821065606 606747377 /nfs/dbraw/zinc/74/73/77/606747377.db2.gz LCNHBWKOZCLESI-UHFFFAOYSA-N -1 3 376.464 3.211 20 0 GGADHM O=C(OCc1coc(-c2ccccc2)n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440282 606748911 /nfs/dbraw/zinc/74/89/11/606748911.db2.gz KZWWIKPTDNSTEP-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM O=C(OCc1coc(-c2ccccc2)n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440282 606748913 /nfs/dbraw/zinc/74/89/13/606748913.db2.gz KZWWIKPTDNSTEP-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1C[C@H]2CCC[C@H]21 ZINC000819876391 606750252 /nfs/dbraw/zinc/75/02/52/606750252.db2.gz GTENAQPJSWYQTJ-YRGRVCCFSA-N -1 3 386.525 3.008 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1C[C@H]2CCC[C@H]21 ZINC000819876391 606750254 /nfs/dbraw/zinc/75/02/54/606750254.db2.gz GTENAQPJSWYQTJ-YRGRVCCFSA-N -1 3 386.525 3.008 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823151058 606752775 /nfs/dbraw/zinc/75/27/75/606752775.db2.gz WCNPUYUEFHLDPQ-VAMGGRTRSA-N -1 3 389.459 3.221 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823151058 606752776 /nfs/dbraw/zinc/75/27/76/606752776.db2.gz WCNPUYUEFHLDPQ-VAMGGRTRSA-N -1 3 389.459 3.221 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cnc(Cc2ccccc2)s1 ZINC000823426880 606754196 /nfs/dbraw/zinc/75/41/96/606754196.db2.gz PPRWSFILYPNRTA-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cnc(Cc2ccccc2)s1 ZINC000823426880 606754197 /nfs/dbraw/zinc/75/41/97/606754197.db2.gz PPRWSFILYPNRTA-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM Cc1c2ccccc2oc1C(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822015202 606757548 /nfs/dbraw/zinc/75/75/48/606757548.db2.gz FSSFUHRDFGHAGO-UHFFFAOYSA-N -1 3 398.325 3.239 20 0 GGADHM Cc1c2ccccc2oc1C(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822015202 606757549 /nfs/dbraw/zinc/75/75/49/606757549.db2.gz FSSFUHRDFGHAGO-UHFFFAOYSA-N -1 3 398.325 3.239 20 0 GGADHM CC(C)[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)c1ccccc1 ZINC000820028424 606757887 /nfs/dbraw/zinc/75/78/87/606757887.db2.gz YZCHUBFZNKSOQY-QGZVFWFLSA-N -1 3 386.358 3.209 20 0 GGADHM CC(C)[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)c1ccccc1 ZINC000820028424 606757889 /nfs/dbraw/zinc/75/78/89/606757889.db2.gz YZCHUBFZNKSOQY-QGZVFWFLSA-N -1 3 386.358 3.209 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1nc(-c2ccccc2)no1 ZINC000820500399 606758276 /nfs/dbraw/zinc/75/82/76/606758276.db2.gz FIUQRKUVSNDYJO-VIFPVBQESA-N -1 3 398.329 3.113 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)no1 ZINC000820500399 606758278 /nfs/dbraw/zinc/75/82/78/606758278.db2.gz FIUQRKUVSNDYJO-VIFPVBQESA-N -1 3 398.329 3.113 20 0 GGADHM CCCCC[C@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)C(C)C ZINC000821044207 606759859 /nfs/dbraw/zinc/75/98/59/606759859.db2.gz XUDRXLVLCFWBSZ-LBPRGKRZSA-N -1 3 379.486 3.262 20 0 GGADHM CCCCC[C@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)C(C)C ZINC000821044207 606759860 /nfs/dbraw/zinc/75/98/60/606759860.db2.gz XUDRXLVLCFWBSZ-LBPRGKRZSA-N -1 3 379.486 3.262 20 0 GGADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1I ZINC000822259331 606760643 /nfs/dbraw/zinc/76/06/43/606760643.db2.gz UUTKGOJUKAYLQR-UHFFFAOYSA-N -1 3 391.216 3.392 20 0 GGADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1I ZINC000822259331 606760645 /nfs/dbraw/zinc/76/06/45/606760645.db2.gz UUTKGOJUKAYLQR-UHFFFAOYSA-N -1 3 391.216 3.392 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H](c1ncccn1)C1CCCC1 ZINC000822936269 606765092 /nfs/dbraw/zinc/76/50/92/606765092.db2.gz TXVOSBIUBURAST-RXQFDZFGSA-N -1 3 376.420 3.145 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H](c1ncccn1)C1CCCC1 ZINC000822936269 606765093 /nfs/dbraw/zinc/76/50/93/606765093.db2.gz TXVOSBIUBURAST-RXQFDZFGSA-N -1 3 376.420 3.145 20 0 GGADHM COC(=O)c1ccc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1F ZINC000821669707 606767706 /nfs/dbraw/zinc/76/77/06/606767706.db2.gz YWSBTVSIAMALOW-UHFFFAOYSA-N -1 3 392.774 3.033 20 0 GGADHM COC(=O)c1ccc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1F ZINC000821669707 606767707 /nfs/dbraw/zinc/76/77/07/606767707.db2.gz YWSBTVSIAMALOW-UHFFFAOYSA-N -1 3 392.774 3.033 20 0 GGADHM CCOC(=O)c1sc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000821346471 606770600 /nfs/dbraw/zinc/77/06/00/606770600.db2.gz KAARBRFVRAATBF-CMPLNLGQSA-N -1 3 386.481 3.220 20 0 GGADHM CC(C)N(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820112292 606771487 /nfs/dbraw/zinc/77/14/87/606771487.db2.gz QGMKIZFGVDRTOG-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM CC(C)N(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820112292 606771488 /nfs/dbraw/zinc/77/14/88/606771488.db2.gz QGMKIZFGVDRTOG-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM C[C@](O)(c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000820467825 606773282 /nfs/dbraw/zinc/77/32/82/606773282.db2.gz NABPXWLNQYHALG-KRWDZBQOSA-N -1 3 394.353 3.094 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)CNc1ccccc1 ZINC000820280909 606774440 /nfs/dbraw/zinc/77/44/40/606774440.db2.gz PDQWBMKVGNQHIY-CQSZACIVSA-N -1 3 395.467 3.276 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)CNc1ccccc1 ZINC000820280909 606774441 /nfs/dbraw/zinc/77/44/41/606774441.db2.gz PDQWBMKVGNQHIY-CQSZACIVSA-N -1 3 395.467 3.276 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccc(N2CCCC2)cc1 ZINC000823032062 606779140 /nfs/dbraw/zinc/77/91/40/606779140.db2.gz MHHRAKOVIVUKIY-UHFFFAOYSA-N -1 3 398.854 3.138 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccc(N2CCCC2)cc1 ZINC000823032062 606779143 /nfs/dbraw/zinc/77/91/43/606779143.db2.gz MHHRAKOVIVUKIY-UHFFFAOYSA-N -1 3 398.854 3.138 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820121375 606784559 /nfs/dbraw/zinc/78/45/59/606784559.db2.gz QZZGQVZOORKSEI-UHFFFAOYSA-N -1 3 385.855 3.336 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820121375 606784560 /nfs/dbraw/zinc/78/45/60/606784560.db2.gz QZZGQVZOORKSEI-UHFFFAOYSA-N -1 3 385.855 3.336 20 0 GGADHM CCN(CCOC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821213447 606786194 /nfs/dbraw/zinc/78/61/94/606786194.db2.gz CTQJYLYZWBRDPT-UHFFFAOYSA-N -1 3 381.436 3.076 20 0 GGADHM CCN(CCOC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821213447 606786195 /nfs/dbraw/zinc/78/61/95/606786195.db2.gz CTQJYLYZWBRDPT-UHFFFAOYSA-N -1 3 381.436 3.076 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc1 ZINC000822136330 606786229 /nfs/dbraw/zinc/78/62/29/606786229.db2.gz LOVDADPSPWKRNE-GJZGRUSLSA-N -1 3 393.447 3.217 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc1 ZINC000822136330 606786231 /nfs/dbraw/zinc/78/62/31/606786231.db2.gz LOVDADPSPWKRNE-GJZGRUSLSA-N -1 3 393.447 3.217 20 0 GGADHM CC(C)(C)c1cnc(S[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000819965831 606786341 /nfs/dbraw/zinc/78/63/41/606786341.db2.gz OOPJJIGBVANPAU-CYBMUJFWSA-N -1 3 384.465 3.050 20 0 GGADHM CC(C)(C)c1cnc(S[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000819965831 606786342 /nfs/dbraw/zinc/78/63/42/606786342.db2.gz OOPJJIGBVANPAU-CYBMUJFWSA-N -1 3 384.465 3.050 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCOCC2(C)C)cc1 ZINC000822135800 606788159 /nfs/dbraw/zinc/78/81/59/606788159.db2.gz FBQSVQHEQNXOHH-UHFFFAOYSA-N -1 3 393.447 3.218 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCOCC2(C)C)cc1 ZINC000822135800 606788161 /nfs/dbraw/zinc/78/81/61/606788161.db2.gz FBQSVQHEQNXOHH-UHFFFAOYSA-N -1 3 393.447 3.218 20 0 GGADHM COCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821685990 606789506 /nfs/dbraw/zinc/78/95/06/606789506.db2.gz XHQAGTRPAQUWQG-CQSZACIVSA-N -1 3 381.436 3.122 20 0 GGADHM COCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821685990 606789508 /nfs/dbraw/zinc/78/95/08/606789508.db2.gz XHQAGTRPAQUWQG-CQSZACIVSA-N -1 3 381.436 3.122 20 0 GGADHM CC[C@@H]1CC[C@H](C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)O1 ZINC000820971753 606792481 /nfs/dbraw/zinc/79/24/81/606792481.db2.gz FPVNORVTKMGQJU-HUUCEWRRSA-N -1 3 383.477 3.169 20 0 GGADHM Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230745 606793349 /nfs/dbraw/zinc/79/33/49/606793349.db2.gz PAKRCJFKCYFCLT-SFHVURJKSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230745 606793350 /nfs/dbraw/zinc/79/33/50/606793350.db2.gz PAKRCJFKCYFCLT-SFHVURJKSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@@](C)(O)C(C)C)cc1 ZINC000822143556 606796636 /nfs/dbraw/zinc/79/66/36/606796636.db2.gz CVVQPUOIFJTIMW-OAQYLSRUSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@@](C)(O)C(C)C)cc1 ZINC000822143556 606796637 /nfs/dbraw/zinc/79/66/37/606796637.db2.gz CVVQPUOIFJTIMW-OAQYLSRUSA-N -1 3 395.463 3.104 20 0 GGADHM Fc1ccc(-c2csc(NCCNc3ccc(-c4nnn[n-]4)cn3)n2)cc1 ZINC000822753285 606798760 /nfs/dbraw/zinc/79/87/60/606798760.db2.gz LMVARWKIWNFYAU-UHFFFAOYSA-N -1 3 382.428 3.048 20 0 GGADHM Fc1ccc(-c2csc(NCCNc3ccc(-c4nn[n-]n4)cn3)n2)cc1 ZINC000822753285 606798762 /nfs/dbraw/zinc/79/87/62/606798762.db2.gz LMVARWKIWNFYAU-UHFFFAOYSA-N -1 3 382.428 3.048 20 0 GGADHM O=C(OC[C@H]1CCSC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823400710 606802242 /nfs/dbraw/zinc/80/22/42/606802242.db2.gz IJQNYXMLMICSGY-CQSZACIVSA-N -1 3 396.472 3.356 20 0 GGADHM O=C(OC[C@H]1CCSC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823400710 606802244 /nfs/dbraw/zinc/80/22/44/606802244.db2.gz IJQNYXMLMICSGY-CQSZACIVSA-N -1 3 396.472 3.356 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@@H]1CCSC1 ZINC000823357401 606804176 /nfs/dbraw/zinc/80/41/76/606804176.db2.gz UKAVLYGWTDFVQI-LLVKDONJSA-N -1 3 385.424 3.490 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@@H]1CCSC1 ZINC000823357401 606804178 /nfs/dbraw/zinc/80/41/78/606804178.db2.gz UKAVLYGWTDFVQI-LLVKDONJSA-N -1 3 385.424 3.490 20 0 GGADHM C[C@H](NC(=O)Nc1ccccc1OCC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380305 606805513 /nfs/dbraw/zinc/80/55/13/606805513.db2.gz PXCKGCAIFNKGHJ-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM C[C@H](NC(=O)Nc1ccccc1OCC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380305 606805514 /nfs/dbraw/zinc/80/55/14/606805514.db2.gz PXCKGCAIFNKGHJ-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM CN(CCOCc1ccccc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821603840 606807088 /nfs/dbraw/zinc/80/70/88/606807088.db2.gz QTKYXBRVASXLLY-UHFFFAOYSA-N -1 3 396.401 3.346 20 0 GGADHM CN(CCOCc1ccccc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821603840 606807090 /nfs/dbraw/zinc/80/70/90/606807090.db2.gz QTKYXBRVASXLLY-UHFFFAOYSA-N -1 3 396.401 3.346 20 0 GGADHM COCCN(C(=O)Cc1ccc(C)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688589 606810902 /nfs/dbraw/zinc/81/09/02/606810902.db2.gz QVERNTIHHCFXGM-UHFFFAOYSA-N -1 3 385.855 3.051 20 0 GGADHM COCCN(C(=O)Cc1ccc(C)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688589 606810903 /nfs/dbraw/zinc/81/09/03/606810903.db2.gz QVERNTIHHCFXGM-UHFFFAOYSA-N -1 3 385.855 3.051 20 0 GGADHM O=C(Nc1ccccc1OCC(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823373416 606813318 /nfs/dbraw/zinc/81/33/18/606813318.db2.gz ZAPLEHAKKVRHCW-UHFFFAOYSA-N -1 3 381.289 3.041 20 0 GGADHM O=C(Nc1ccccc1OCC(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823373416 606813320 /nfs/dbraw/zinc/81/33/20/606813320.db2.gz ZAPLEHAKKVRHCW-UHFFFAOYSA-N -1 3 381.289 3.041 20 0 GGADHM CC(C)C[C@H](O)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000820063807 606815329 /nfs/dbraw/zinc/81/53/29/606815329.db2.gz ZSBXZNDRDTXSRJ-AWEZNQCLSA-N -1 3 397.504 3.155 20 0 GGADHM CC(C)C[C@H](O)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000820063807 606815331 /nfs/dbraw/zinc/81/53/31/606815331.db2.gz ZSBXZNDRDTXSRJ-AWEZNQCLSA-N -1 3 397.504 3.155 20 0 GGADHM CC[C@H](CCO)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820902799 606823983 /nfs/dbraw/zinc/82/39/83/606823983.db2.gz NVQILTCFYKBYJH-OAHLLOKOSA-N -1 3 395.463 3.106 20 0 GGADHM CC[C@H](CCO)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820902799 606823984 /nfs/dbraw/zinc/82/39/84/606823984.db2.gz NVQILTCFYKBYJH-OAHLLOKOSA-N -1 3 395.463 3.106 20 0 GGADHM COc1ccc2c(c1)N(C(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000821849610 606826512 /nfs/dbraw/zinc/82/65/12/606826512.db2.gz NBXAINDETLVMDS-AWEZNQCLSA-N -1 3 393.447 3.012 20 0 GGADHM O=C(CNc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CCCC1 ZINC000823014169 606827095 /nfs/dbraw/zinc/82/70/95/606827095.db2.gz IVUPWARCIFNQLK-HXUWFJFHSA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CNc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CCCC1 ZINC000823014169 606827097 /nfs/dbraw/zinc/82/70/97/606827097.db2.gz IVUPWARCIFNQLK-HXUWFJFHSA-N -1 3 376.464 3.326 20 0 GGADHM CC(C)(C)CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819914626 606827952 /nfs/dbraw/zinc/82/79/52/606827952.db2.gz ZUVVLQNBXIOQHP-UHFFFAOYSA-N -1 3 399.467 3.254 20 0 GGADHM CC(C)(C)CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819914626 606827954 /nfs/dbraw/zinc/82/79/54/606827954.db2.gz ZUVVLQNBXIOQHP-UHFFFAOYSA-N -1 3 399.467 3.254 20 0 GGADHM CCN(C(=O)CNc1cc(-c2nnn[n-]2)ccc1OC)[C@H](C)c1ccc(F)cc1 ZINC000821154100 606828432 /nfs/dbraw/zinc/82/84/32/606828432.db2.gz JLFGUGIZXCMKMF-CYBMUJFWSA-N -1 3 398.442 3.036 20 0 GGADHM CCN(C(=O)CNc1cc(-c2nn[n-]n2)ccc1OC)[C@H](C)c1ccc(F)cc1 ZINC000821154100 606828433 /nfs/dbraw/zinc/82/84/33/606828433.db2.gz JLFGUGIZXCMKMF-CYBMUJFWSA-N -1 3 398.442 3.036 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821430833 606828492 /nfs/dbraw/zinc/82/84/92/606828492.db2.gz FYXATEZHHXTIKW-QGZVFWFLSA-N -1 3 398.442 3.084 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821430833 606828493 /nfs/dbraw/zinc/82/84/93/606828493.db2.gz FYXATEZHHXTIKW-QGZVFWFLSA-N -1 3 398.442 3.084 20 0 GGADHM O=C(CSCCOc1cccc(-c2nnn[n-]2)c1)NCCC1CCCCC1 ZINC000823061172 606829296 /nfs/dbraw/zinc/82/92/96/606829296.db2.gz YRJUYEIQSBFKAY-UHFFFAOYSA-N -1 3 389.525 3.065 20 0 GGADHM O=C(CSCCOc1cccc(-c2nn[n-]n2)c1)NCCC1CCCCC1 ZINC000823061172 606829298 /nfs/dbraw/zinc/82/92/98/606829298.db2.gz YRJUYEIQSBFKAY-UHFFFAOYSA-N -1 3 389.525 3.065 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2cnn(C)c2)cc1 ZINC000822146280 606830202 /nfs/dbraw/zinc/83/02/02/606830202.db2.gz XFJXJPYUXHTEQT-UHFFFAOYSA-N -1 3 390.403 3.058 20 0 GGADHM Cc1noc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)n1 ZINC000822527953 606830359 /nfs/dbraw/zinc/83/03/59/606830359.db2.gz LQRUMHGMHXYEFM-UHFFFAOYSA-N -1 3 392.375 3.016 20 0 GGADHM Cc1noc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000822527953 606830361 /nfs/dbraw/zinc/83/03/61/606830361.db2.gz LQRUMHGMHXYEFM-UHFFFAOYSA-N -1 3 392.375 3.016 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)cc1O ZINC000822254723 606832083 /nfs/dbraw/zinc/83/20/83/606832083.db2.gz PNOAOOVUCSQFSA-UHFFFAOYSA-N -1 3 391.387 3.305 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)cc1O ZINC000822254723 606832086 /nfs/dbraw/zinc/83/20/86/606832086.db2.gz PNOAOOVUCSQFSA-UHFFFAOYSA-N -1 3 391.387 3.305 20 0 GGADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823176161 606833988 /nfs/dbraw/zinc/83/39/88/606833988.db2.gz QRTLEYKFMSLOST-OAHLLOKOSA-N -1 3 397.464 3.071 20 0 GGADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823176161 606833990 /nfs/dbraw/zinc/83/39/90/606833990.db2.gz QRTLEYKFMSLOST-OAHLLOKOSA-N -1 3 397.464 3.071 20 0 GGADHM c1cn(Cc2ccccn2)c(SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000823787598 606836646 /nfs/dbraw/zinc/83/66/46/606836646.db2.gz NIOQEABUKOWXIC-UHFFFAOYSA-N -1 3 393.476 3.068 20 0 GGADHM c1cn(Cc2ccccn2)c(SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000823787598 606836647 /nfs/dbraw/zinc/83/66/47/606836647.db2.gz NIOQEABUKOWXIC-UHFFFAOYSA-N -1 3 393.476 3.068 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2cncn2C)cc1 ZINC000822144179 606841108 /nfs/dbraw/zinc/84/11/08/606841108.db2.gz KTKLHWSVNNRGSY-UHFFFAOYSA-N -1 3 390.403 3.058 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCCCC1 ZINC000820550633 606842211 /nfs/dbraw/zinc/84/22/11/606842211.db2.gz YCFLIJKTLMQKOB-OAHLLOKOSA-N -1 3 389.525 3.160 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCCCC1 ZINC000820550633 606842214 /nfs/dbraw/zinc/84/22/14/606842214.db2.gz YCFLIJKTLMQKOB-OAHLLOKOSA-N -1 3 389.525 3.160 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821014555 606842451 /nfs/dbraw/zinc/84/24/51/606842451.db2.gz JFPNOKGCXYICBE-KBPBESRZSA-N -1 3 377.514 3.062 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821014555 606842452 /nfs/dbraw/zinc/84/24/52/606842452.db2.gz JFPNOKGCXYICBE-KBPBESRZSA-N -1 3 377.514 3.062 20 0 GGADHM COc1cccc(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821871991 606843272 /nfs/dbraw/zinc/84/32/72/606843272.db2.gz HKVOGDXPPCLFGD-UHFFFAOYSA-N -1 3 399.476 3.016 20 0 GGADHM COc1cccc(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821871991 606843274 /nfs/dbraw/zinc/84/32/74/606843274.db2.gz HKVOGDXPPCLFGD-UHFFFAOYSA-N -1 3 399.476 3.016 20 0 GGADHM Cc1cccc(-c2nnc(SC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822284036 606846452 /nfs/dbraw/zinc/84/64/52/606846452.db2.gz GYGWMQUERJFFPN-OAHLLOKOSA-N -1 3 380.433 3.051 20 0 GGADHM Cc1cccc(-c2nnc(SC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822284036 606846453 /nfs/dbraw/zinc/84/64/53/606846453.db2.gz GYGWMQUERJFFPN-OAHLLOKOSA-N -1 3 380.433 3.051 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(c1ccc(F)cc1)C1CCCC1 ZINC000823040362 606856463 /nfs/dbraw/zinc/85/64/63/606856463.db2.gz IOBOHUCGCYBUNT-UHFFFAOYSA-N -1 3 381.411 3.360 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(c1ccc(F)cc1)C1CCCC1 ZINC000823040362 606856465 /nfs/dbraw/zinc/85/64/65/606856465.db2.gz IOBOHUCGCYBUNT-UHFFFAOYSA-N -1 3 381.411 3.360 20 0 GGADHM COc1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)c(OC)cc1Cl ZINC000821720014 606862019 /nfs/dbraw/zinc/86/20/19/606862019.db2.gz LVGBIOBEJKDJPH-UHFFFAOYSA-N -1 3 389.843 3.418 20 0 GGADHM COc1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)c(OC)cc1Cl ZINC000821720014 606862021 /nfs/dbraw/zinc/86/20/21/606862021.db2.gz LVGBIOBEJKDJPH-UHFFFAOYSA-N -1 3 389.843 3.418 20 0 GGADHM COC(=O)[C@@H](NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821642799 606863207 /nfs/dbraw/zinc/86/32/07/606863207.db2.gz PRFGGGMGCYMHGN-IBGZPJMESA-N -1 3 391.475 3.083 20 0 GGADHM COC(=O)[C@@H](NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821642799 606863208 /nfs/dbraw/zinc/86/32/08/606863208.db2.gz PRFGGGMGCYMHGN-IBGZPJMESA-N -1 3 391.475 3.083 20 0 GGADHM c1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc(OC[C@@H]2CCCO2)c1 ZINC000823756744 606865086 /nfs/dbraw/zinc/86/50/86/606865086.db2.gz GRWFWAQNBCLZFY-FQEVSTJZSA-N -1 3 395.463 3.306 20 0 GGADHM c1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc(OC[C@@H]2CCCO2)c1 ZINC000823756744 606865088 /nfs/dbraw/zinc/86/50/88/606865088.db2.gz GRWFWAQNBCLZFY-FQEVSTJZSA-N -1 3 395.463 3.306 20 0 GGADHM CC(C)CNc1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000820097709 606866699 /nfs/dbraw/zinc/86/66/99/606866699.db2.gz SKCDDNLNJVXDBX-UHFFFAOYSA-N -1 3 391.526 3.347 20 0 GGADHM CC(C)CNc1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000820097709 606866700 /nfs/dbraw/zinc/86/67/00/606866700.db2.gz SKCDDNLNJVXDBX-UHFFFAOYSA-N -1 3 391.526 3.347 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000820530135 606870937 /nfs/dbraw/zinc/87/09/37/606870937.db2.gz XDFSDUFYSZLYJL-INIZCTEOSA-N -1 3 391.475 3.163 20 0 GGADHM Cn1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)c1 ZINC000822684763 606873926 /nfs/dbraw/zinc/87/39/26/606873926.db2.gz HBSQGJHOJYRPSX-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM Cn1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)c1 ZINC000822684763 606873927 /nfs/dbraw/zinc/87/39/27/606873927.db2.gz HBSQGJHOJYRPSX-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CCCCC1(C)C ZINC000821701117 606874873 /nfs/dbraw/zinc/87/48/73/606874873.db2.gz BRFMKULIIQFPIR-QGZVFWFLSA-N -1 3 387.484 3.119 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CCCCC1(C)C ZINC000821701117 606874874 /nfs/dbraw/zinc/87/48/74/606874874.db2.gz BRFMKULIIQFPIR-QGZVFWFLSA-N -1 3 387.484 3.119 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820683937 606878708 /nfs/dbraw/zinc/87/87/08/606878708.db2.gz JTZZOLQPBSMCNL-GJZGRUSLSA-N -1 3 377.448 3.459 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820683937 606878709 /nfs/dbraw/zinc/87/87/09/606878709.db2.gz JTZZOLQPBSMCNL-GJZGRUSLSA-N -1 3 377.448 3.459 20 0 GGADHM O=C(OCCOc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823409081 606888828 /nfs/dbraw/zinc/88/88/28/606888828.db2.gz CKIZDDIYICAEGJ-UHFFFAOYSA-N -1 3 378.310 3.121 20 0 GGADHM O=C(OCCOc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823409081 606888829 /nfs/dbraw/zinc/88/88/29/606888829.db2.gz CKIZDDIYICAEGJ-UHFFFAOYSA-N -1 3 378.310 3.121 20 0 GGADHM C[C@H]1CO[C@@H](c2ccccc2)CN1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820804477 606893370 /nfs/dbraw/zinc/89/33/70/606893370.db2.gz SUWXHEOGZNDAJD-OXJNMPFZSA-N -1 3 379.464 3.098 20 0 GGADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000823026969 606901507 /nfs/dbraw/zinc/90/15/07/606901507.db2.gz KNCHVLQKNCUJSP-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000823026969 606901509 /nfs/dbraw/zinc/90/15/09/606901509.db2.gz KNCHVLQKNCUJSP-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM C[C@@H]1CN(CCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759198 606913446 /nfs/dbraw/zinc/91/34/46/606913446.db2.gz ITKAORVDFDQHEZ-KDOFPFPSSA-N -1 3 385.493 3.159 20 0 GGADHM C[C@@H]1CN(CCCOc2cccc(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759198 606913448 /nfs/dbraw/zinc/91/34/48/606913448.db2.gz ITKAORVDFDQHEZ-KDOFPFPSSA-N -1 3 385.493 3.159 20 0 GGADHM C[C@H](NC(=O)c1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397565 606914851 /nfs/dbraw/zinc/91/48/51/606914851.db2.gz QNIMFSCOOSNDHT-JTQLQIEISA-N -1 3 377.326 3.256 20 0 GGADHM C[C@H](NC(=O)c1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397565 606914853 /nfs/dbraw/zinc/91/48/53/606914853.db2.gz QNIMFSCOOSNDHT-JTQLQIEISA-N -1 3 377.326 3.256 20 0 GGADHM CCc1nnc(N[C@H](c2ccccc2)c2ccccn2)c(-c2nnn[n-]2)c1CC ZINC000821528758 606917644 /nfs/dbraw/zinc/91/76/44/606917644.db2.gz QXYIUSBMIUUCEN-LJQANCHMSA-N -1 3 386.463 3.378 20 0 GGADHM CCc1nnc(N[C@H](c2ccccc2)c2ccccn2)c(-c2nn[n-]n2)c1CC ZINC000821528758 606917646 /nfs/dbraw/zinc/91/76/46/606917646.db2.gz QXYIUSBMIUUCEN-LJQANCHMSA-N -1 3 386.463 3.378 20 0 GGADHM CCc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1CC ZINC000821527860 606921959 /nfs/dbraw/zinc/92/19/59/606921959.db2.gz HFJZYNVSAMGEFL-MRXNPFEDSA-N -1 3 399.886 3.013 20 0 GGADHM CCc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821527860 606921961 /nfs/dbraw/zinc/92/19/61/606921961.db2.gz HFJZYNVSAMGEFL-MRXNPFEDSA-N -1 3 399.886 3.013 20 0 GGADHM CCc1nnc(NCc2cc(Br)cs2)c(-c2nnn[n-]2)c1CC ZINC000821541826 606922395 /nfs/dbraw/zinc/92/23/95/606922395.db2.gz AKTKUMNSLOKLGM-UHFFFAOYSA-N -1 3 394.302 3.218 20 0 GGADHM CCc1nnc(NCc2cc(Br)cs2)c(-c2nn[n-]n2)c1CC ZINC000821541826 606922397 /nfs/dbraw/zinc/92/23/97/606922397.db2.gz AKTKUMNSLOKLGM-UHFFFAOYSA-N -1 3 394.302 3.218 20 0 GGADHM CCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000821170799 606922920 /nfs/dbraw/zinc/92/29/20/606922920.db2.gz WXQKHYFDGFKHHC-MRXNPFEDSA-N -1 3 388.269 3.189 20 0 GGADHM CCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000821170799 606922921 /nfs/dbraw/zinc/92/29/21/606922921.db2.gz WXQKHYFDGFKHHC-MRXNPFEDSA-N -1 3 388.269 3.189 20 0 GGADHM CCc1nnc(N2CCC(n3c(C)ccc3C)CC2)c(-c2nnn[n-]2)c1CC ZINC000821523264 606925279 /nfs/dbraw/zinc/92/52/79/606925279.db2.gz SSVVNDLRNSUPFL-UHFFFAOYSA-N -1 3 380.500 3.041 20 0 GGADHM CCc1nnc(N2CCC(n3c(C)ccc3C)CC2)c(-c2nn[n-]n2)c1CC ZINC000821523264 606925281 /nfs/dbraw/zinc/92/52/81/606925281.db2.gz SSVVNDLRNSUPFL-UHFFFAOYSA-N -1 3 380.500 3.041 20 0 GGADHM CC(C)c1nnc2n1C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000820211090 606926803 /nfs/dbraw/zinc/92/68/03/606926803.db2.gz CMFSQLPNOUOVTD-NSHDSACASA-N -1 3 392.389 3.027 20 0 GGADHM CC(C)c1nnc2n1C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000820211090 606926804 /nfs/dbraw/zinc/92/68/04/606926804.db2.gz CMFSQLPNOUOVTD-NSHDSACASA-N -1 3 392.389 3.027 20 0 GGADHM CCc1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)c(-c2nnn[n-]2)c1CC ZINC000821522250 606927634 /nfs/dbraw/zinc/92/76/34/606927634.db2.gz KOIYKBYZNWUHJE-CYBMUJFWSA-N -1 3 398.540 3.239 20 0 GGADHM CCc1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)c(-c2nn[n-]n2)c1CC ZINC000821522250 606927636 /nfs/dbraw/zinc/92/76/36/606927636.db2.gz KOIYKBYZNWUHJE-CYBMUJFWSA-N -1 3 398.540 3.239 20 0 GGADHM O=C(NCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823191338 606928044 /nfs/dbraw/zinc/92/80/44/606928044.db2.gz JOXXIGVNJKIWHJ-UHFFFAOYSA-N -1 3 390.369 3.118 20 0 GGADHM O=C(NCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823191338 606928045 /nfs/dbraw/zinc/92/80/45/606928045.db2.gz JOXXIGVNJKIWHJ-UHFFFAOYSA-N -1 3 390.369 3.118 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821943665 606929231 /nfs/dbraw/zinc/92/92/31/606929231.db2.gz XXTQNRVSXOTTTL-RUZDIDTESA-N -1 3 379.848 3.150 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821943665 606929233 /nfs/dbraw/zinc/92/92/33/606929233.db2.gz XXTQNRVSXOTTTL-RUZDIDTESA-N -1 3 379.848 3.150 20 0 GGADHM CC(C)c1nc2n(n1)C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000820206014 606931598 /nfs/dbraw/zinc/93/15/98/606931598.db2.gz AGYGBVHINCAXDX-LLVKDONJSA-N -1 3 392.389 3.027 20 0 GGADHM CC(C)c1nc2n(n1)C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000820206014 606931600 /nfs/dbraw/zinc/93/16/00/606931600.db2.gz AGYGBVHINCAXDX-LLVKDONJSA-N -1 3 392.389 3.027 20 0 GGADHM C[C@H](NC(=O)N1CCOC2(C1)CCCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820351648 606931685 /nfs/dbraw/zinc/93/16/85/606931685.db2.gz QKZMZGFXNDJPHN-HNNXBMFYSA-N -1 3 384.484 3.063 20 0 GGADHM C[C@H](NC(=O)N1CCOC2(C1)CCCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820351648 606931688 /nfs/dbraw/zinc/93/16/88/606931688.db2.gz QKZMZGFXNDJPHN-HNNXBMFYSA-N -1 3 384.484 3.063 20 0 GGADHM C[C@@H]1N(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCOC1(C)C ZINC000820818970 606934842 /nfs/dbraw/zinc/93/48/42/606934842.db2.gz DCNIPHBRDFQOOK-AWEZNQCLSA-N -1 3 393.447 3.299 20 0 GGADHM C[C@@H]1N(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCOC1(C)C ZINC000820818970 606934844 /nfs/dbraw/zinc/93/48/44/606934844.db2.gz DCNIPHBRDFQOOK-AWEZNQCLSA-N -1 3 393.447 3.299 20 0 GGADHM FC(F)(F)c1ccc(NCc2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000822729028 606934923 /nfs/dbraw/zinc/93/49/23/606934923.db2.gz RENRPTRJJAUPIG-UHFFFAOYSA-N -1 3 377.326 3.269 20 0 GGADHM FC(F)(F)c1ccc(NCc2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC000822729028 606934925 /nfs/dbraw/zinc/93/49/25/606934925.db2.gz RENRPTRJJAUPIG-UHFFFAOYSA-N -1 3 377.326 3.269 20 0 GGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822471814 606937637 /nfs/dbraw/zinc/93/76/37/606937637.db2.gz KMUNTZNCWDAPEC-CQSZACIVSA-N -1 3 375.358 3.473 20 0 GGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822471814 606937638 /nfs/dbraw/zinc/93/76/38/606937638.db2.gz KMUNTZNCWDAPEC-CQSZACIVSA-N -1 3 375.358 3.473 20 0 GGADHM Cc1coc(-c2cc(NC(=O)COc3ccc(-c4nn[n-]n4)cc3)ccc2C)n1 ZINC000822403808 606938830 /nfs/dbraw/zinc/93/88/30/606938830.db2.gz VJTPCTDYCDXDPQ-UHFFFAOYSA-N -1 3 390.403 3.156 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000819922006 606940961 /nfs/dbraw/zinc/94/09/61/606940961.db2.gz DMKGMYNWTQYXSK-SNVBAGLBSA-N -1 3 383.374 3.054 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000819922006 606940963 /nfs/dbraw/zinc/94/09/63/606940963.db2.gz DMKGMYNWTQYXSK-SNVBAGLBSA-N -1 3 383.374 3.054 20 0 GGADHM FC(F)(F)c1ccc(N2CCC(OC[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000822724043 606943966 /nfs/dbraw/zinc/94/39/66/606943966.db2.gz WZTRGRINFILZMS-CQSZACIVSA-N -1 3 397.401 3.050 20 0 GGADHM FC(F)(F)c1ccc(N2CCC(OC[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000822724043 606943967 /nfs/dbraw/zinc/94/39/67/606943967.db2.gz WZTRGRINFILZMS-CQSZACIVSA-N -1 3 397.401 3.050 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cnc(Cl)c(Cl)c1 ZINC000823404966 606945900 /nfs/dbraw/zinc/94/59/00/606945900.db2.gz FSRUUVXDPHIGMK-UHFFFAOYSA-N -1 3 394.218 3.194 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cnc(Cl)c(Cl)c1 ZINC000823404966 606945902 /nfs/dbraw/zinc/94/59/02/606945902.db2.gz FSRUUVXDPHIGMK-UHFFFAOYSA-N -1 3 394.218 3.194 20 0 GGADHM CC(C)(C)c1nc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000819965975 606947586 /nfs/dbraw/zinc/94/75/86/606947586.db2.gz RBSJGONJYGSTTC-UHFFFAOYSA-N -1 3 387.465 3.247 20 0 GGADHM CC(C)(C)c1nc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000819965975 606947588 /nfs/dbraw/zinc/94/75/88/606947588.db2.gz RBSJGONJYGSTTC-UHFFFAOYSA-N -1 3 387.465 3.247 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820384415 606948446 /nfs/dbraw/zinc/94/84/46/606948446.db2.gz DMWIVYOFBWVNKG-GXTWGEPZSA-N -1 3 390.463 3.135 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820103224 606957019 /nfs/dbraw/zinc/95/70/19/606957019.db2.gz QAQFGEGTNOXZGP-OAHLLOKOSA-N -1 3 394.479 3.191 20 0 GGADHM CCCC1(CNC(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)CCC1 ZINC000821035036 606958094 /nfs/dbraw/zinc/95/80/94/606958094.db2.gz ZLLVTBFQVNUOKV-UHFFFAOYSA-N -1 3 387.484 3.121 20 0 GGADHM CCCC1(CNC(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)CCC1 ZINC000821035036 606958095 /nfs/dbraw/zinc/95/80/95/606958095.db2.gz ZLLVTBFQVNUOKV-UHFFFAOYSA-N -1 3 387.484 3.121 20 0 GGADHM CN(C(=O)c1cc(Cl)c(Cl)n1C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573251 606958780 /nfs/dbraw/zinc/95/87/80/606958780.db2.gz HMAGUBMKRVJMHU-UHFFFAOYSA-N -1 3 385.642 3.442 20 0 GGADHM CN(C(=O)c1cc(Cl)c(Cl)n1C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573251 606958781 /nfs/dbraw/zinc/95/87/81/606958781.db2.gz HMAGUBMKRVJMHU-UHFFFAOYSA-N -1 3 385.642 3.442 20 0 GGADHM CN(C(=O)c1occc1Br)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574808 606958872 /nfs/dbraw/zinc/95/88/72/606958872.db2.gz YFYPCOWYFCNBCU-UHFFFAOYSA-N -1 3 382.605 3.152 20 0 GGADHM CN(C(=O)c1occc1Br)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574808 606958874 /nfs/dbraw/zinc/95/88/74/606958874.db2.gz YFYPCOWYFCNBCU-UHFFFAOYSA-N -1 3 382.605 3.152 20 0 GGADHM CN(C(=O)c1csc(-c2ccccn2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574763 606958884 /nfs/dbraw/zinc/95/88/84/606958884.db2.gz WEWLCRJYUDPDLC-UHFFFAOYSA-N -1 3 397.851 3.315 20 0 GGADHM CN(C(=O)c1csc(-c2ccccn2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574763 606958886 /nfs/dbraw/zinc/95/88/86/606958886.db2.gz WEWLCRJYUDPDLC-UHFFFAOYSA-N -1 3 397.851 3.315 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)N1CCC2(CCC2)C1 ZINC000823493554 606959033 /nfs/dbraw/zinc/95/90/33/606959033.db2.gz QKQSLTMGFQAIRP-UHFFFAOYSA-N -1 3 389.459 3.462 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N1CCC2(CCC2)C1 ZINC000823493554 606959035 /nfs/dbraw/zinc/95/90/35/606959035.db2.gz QKQSLTMGFQAIRP-UHFFFAOYSA-N -1 3 389.459 3.462 20 0 GGADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1F ZINC000821702935 606959795 /nfs/dbraw/zinc/95/97/95/606959795.db2.gz IAYXCZPTUKDLCQ-UHFFFAOYSA-N -1 3 381.289 3.286 20 0 GGADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1F ZINC000821702935 606959797 /nfs/dbraw/zinc/95/97/97/606959797.db2.gz IAYXCZPTUKDLCQ-UHFFFAOYSA-N -1 3 381.289 3.286 20 0 GGADHM CN(C(=O)Cc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570926 606961053 /nfs/dbraw/zinc/96/10/53/606961053.db2.gz RFTHNJRLSCYGPH-UHFFFAOYSA-N -1 3 393.781 3.327 20 0 GGADHM CN(C(=O)Cc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570926 606961054 /nfs/dbraw/zinc/96/10/54/606961054.db2.gz RFTHNJRLSCYGPH-UHFFFAOYSA-N -1 3 393.781 3.327 20 0 GGADHM CN(C(=O)c1ccn(-c2ccccc2F)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574798 606964749 /nfs/dbraw/zinc/96/47/49/606964749.db2.gz XPJQSEFFSPEIHK-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM CN(C(=O)c1ccn(-c2ccccc2F)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574798 606964750 /nfs/dbraw/zinc/96/47/50/606964750.db2.gz XPJQSEFFSPEIHK-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM CN(C(=O)[C@H]1C[C@]12CCOc1ccccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569202 606964755 /nfs/dbraw/zinc/96/47/55/606964755.db2.gz BQPRNOTUKPWDBM-QRWLVFNGSA-N -1 3 395.850 3.223 20 0 GGADHM CN(C(=O)[C@H]1C[C@]12CCOc1ccccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569202 606964756 /nfs/dbraw/zinc/96/47/56/606964756.db2.gz BQPRNOTUKPWDBM-QRWLVFNGSA-N -1 3 395.850 3.223 20 0 GGADHM CC(C)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(C(F)(F)F)c1 ZINC000820112551 606966164 /nfs/dbraw/zinc/96/61/64/606966164.db2.gz YAKJEWSDNATBQJ-UHFFFAOYSA-N -1 3 378.358 3.279 20 0 GGADHM CC(C)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(C(F)(F)F)c1 ZINC000820112551 606966166 /nfs/dbraw/zinc/96/61/66/606966166.db2.gz YAKJEWSDNATBQJ-UHFFFAOYSA-N -1 3 378.358 3.279 20 0 GGADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000821610971 606968310 /nfs/dbraw/zinc/96/83/10/606968310.db2.gz MFRJJNZVHRYYDF-IBGZPJMESA-N -1 3 395.417 3.100 20 0 GGADHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000821610971 606968311 /nfs/dbraw/zinc/96/83/11/606968311.db2.gz MFRJJNZVHRYYDF-IBGZPJMESA-N -1 3 395.417 3.100 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823498632 606970306 /nfs/dbraw/zinc/97/03/06/606970306.db2.gz XAMLMQCUXDCGPN-DOTOQJQBSA-N -1 3 397.504 3.437 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823498632 606970310 /nfs/dbraw/zinc/97/03/10/606970310.db2.gz XAMLMQCUXDCGPN-DOTOQJQBSA-N -1 3 397.504 3.437 20 0 GGADHM COCCN(Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccc(F)cc1Cl ZINC000821690354 606972806 /nfs/dbraw/zinc/97/28/06/606972806.db2.gz HPZVJKHDLIBSIY-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM COCCN(Cc1ccc(F)c(-c2nn[n-]n2)c1)Cc1ccc(F)cc1Cl ZINC000821690354 606972807 /nfs/dbraw/zinc/97/28/07/606972807.db2.gz HPZVJKHDLIBSIY-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM Brc1ccc(OCc2cccc3nsnc32)c(-c2nnn[n-]2)c1 ZINC000819688043 606981470 /nfs/dbraw/zinc/98/14/70/606981470.db2.gz CBZJJMGYAUTCJW-UHFFFAOYSA-N -1 3 389.238 3.213 20 0 GGADHM Brc1ccc(OCc2cccc3nsnc32)c(-c2nn[n-]n2)c1 ZINC000819688043 606981472 /nfs/dbraw/zinc/98/14/72/606981472.db2.gz CBZJJMGYAUTCJW-UHFFFAOYSA-N -1 3 389.238 3.213 20 0 GGADHM CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820841749 606981643 /nfs/dbraw/zinc/98/16/43/606981643.db2.gz DBDCZZKBTLUWAB-NSHDSACASA-N -1 3 383.383 3.005 20 0 GGADHM CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820841749 606981644 /nfs/dbraw/zinc/98/16/44/606981644.db2.gz DBDCZZKBTLUWAB-NSHDSACASA-N -1 3 383.383 3.005 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821482148 606982323 /nfs/dbraw/zinc/98/23/23/606982323.db2.gz QTESJTMZAAVDJN-AWEZNQCLSA-N -1 3 379.464 3.464 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821482148 606982324 /nfs/dbraw/zinc/98/23/24/606982324.db2.gz QTESJTMZAAVDJN-AWEZNQCLSA-N -1 3 379.464 3.464 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1ccc(F)cc1F ZINC000821699611 606982813 /nfs/dbraw/zinc/98/28/13/606982813.db2.gz WNHISKLJADKNEU-UHFFFAOYSA-N -1 3 397.179 3.495 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1ccc(F)cc1F ZINC000821699611 606982814 /nfs/dbraw/zinc/98/28/14/606982814.db2.gz WNHISKLJADKNEU-UHFFFAOYSA-N -1 3 397.179 3.495 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822461898 606989406 /nfs/dbraw/zinc/98/94/06/606989406.db2.gz BHYWIRDHVBURMT-UHFFFAOYSA-N -1 3 391.406 3.457 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822461898 606989408 /nfs/dbraw/zinc/98/94/08/606989408.db2.gz BHYWIRDHVBURMT-UHFFFAOYSA-N -1 3 391.406 3.457 20 0 GGADHM O=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822945936 606990857 /nfs/dbraw/zinc/99/08/57/606990857.db2.gz UNDREURMGGQIFZ-UHFFFAOYSA-N -1 3 388.786 3.366 20 0 GGADHM O=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822945936 606990858 /nfs/dbraw/zinc/99/08/58/606990858.db2.gz UNDREURMGGQIFZ-UHFFFAOYSA-N -1 3 388.786 3.366 20 0 GGADHM CC(C)c1noc2ncc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)cc21 ZINC000820211399 606991334 /nfs/dbraw/zinc/99/13/34/606991334.db2.gz LLWHHHCAIYWMGI-UHFFFAOYSA-N -1 3 382.355 3.022 20 0 GGADHM CC(C)c1noc2ncc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)cc21 ZINC000820211399 606991335 /nfs/dbraw/zinc/99/13/35/606991335.db2.gz LLWHHHCAIYWMGI-UHFFFAOYSA-N -1 3 382.355 3.022 20 0 GGADHM COc1ccc(CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000821790530 606991696 /nfs/dbraw/zinc/99/16/96/606991696.db2.gz PTYBCJMRJRFSHY-UHFFFAOYSA-N -1 3 390.802 3.344 20 0 GGADHM COc1ccc(CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000821790530 606991697 /nfs/dbraw/zinc/99/16/97/606991697.db2.gz PTYBCJMRJRFSHY-UHFFFAOYSA-N -1 3 390.802 3.344 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000823426611 606992850 /nfs/dbraw/zinc/99/28/50/606992850.db2.gz LWRWUKMWCNEEHG-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000823426611 606992852 /nfs/dbraw/zinc/99/28/52/606992852.db2.gz LWRWUKMWCNEEHG-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)s1 ZINC000819997570 606993091 /nfs/dbraw/zinc/99/30/91/606993091.db2.gz WKITYOBKPHFXCD-UHFFFAOYSA-N -1 3 377.857 3.055 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)s1 ZINC000819997570 606993092 /nfs/dbraw/zinc/99/30/92/606993092.db2.gz WKITYOBKPHFXCD-UHFFFAOYSA-N -1 3 377.857 3.055 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822553129 606993851 /nfs/dbraw/zinc/99/38/51/606993851.db2.gz IWAKFQWEUBTPAY-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822553129 606993852 /nfs/dbraw/zinc/99/38/52/606993852.db2.gz IWAKFQWEUBTPAY-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822535260 606995574 /nfs/dbraw/zinc/99/55/74/606995574.db2.gz LGSXVCOPFMTCRV-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822535260 606995576 /nfs/dbraw/zinc/99/55/76/606995576.db2.gz LGSXVCOPFMTCRV-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821889698 606998362 /nfs/dbraw/zinc/99/83/62/606998362.db2.gz DTIYGUKWVSTMCE-ZDUSSCGKSA-N -1 3 384.411 3.327 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821889698 606998364 /nfs/dbraw/zinc/99/83/64/606998364.db2.gz DTIYGUKWVSTMCE-ZDUSSCGKSA-N -1 3 384.411 3.327 20 0 GGADHM O=C(Cc1ccc(Br)s1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823082441 607000835 /nfs/dbraw/zinc/00/08/35/607000835.db2.gz IWFWMNJBABSGGY-UHFFFAOYSA-N -1 3 397.229 3.116 20 0 GGADHM O=C(Cc1ccc(Br)s1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823082441 607000837 /nfs/dbraw/zinc/00/08/37/607000837.db2.gz IWFWMNJBABSGGY-UHFFFAOYSA-N -1 3 397.229 3.116 20 0 GGADHM CN(C(=O)CSc1nccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821570778 607002755 /nfs/dbraw/zinc/00/27/55/607002755.db2.gz KRYMFWQKUDLRSS-UHFFFAOYSA-N -1 3 376.445 3.170 20 0 GGADHM CN(C(=O)CSc1nccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821570778 607002757 /nfs/dbraw/zinc/00/27/57/607002757.db2.gz KRYMFWQKUDLRSS-UHFFFAOYSA-N -1 3 376.445 3.170 20 0 GGADHM Cc1nc(CC(C)C)c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000822436069 607004003 /nfs/dbraw/zinc/00/40/03/607004003.db2.gz HJHGFDQIGLSOOL-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM Cc1nc(CC(C)C)c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000822436069 607004006 /nfs/dbraw/zinc/00/40/06/607004006.db2.gz HJHGFDQIGLSOOL-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cncc(-c2ccccc2)c1 ZINC000823426594 607004147 /nfs/dbraw/zinc/00/41/47/607004147.db2.gz LLEMIWJVNKTGFJ-UHFFFAOYSA-N -1 3 375.363 3.425 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cncc(-c2ccccc2)c1 ZINC000823426594 607004149 /nfs/dbraw/zinc/00/41/49/607004149.db2.gz LLEMIWJVNKTGFJ-UHFFFAOYSA-N -1 3 375.363 3.425 20 0 GGADHM Fc1ccc(CSc2nnc(C3CC3)n2Cc2ccco2)cc1-c1nnn[n-]1 ZINC000822774260 607007150 /nfs/dbraw/zinc/00/71/50/607007150.db2.gz IHQDUJUFPXZKGW-UHFFFAOYSA-N -1 3 397.439 3.408 20 0 GGADHM Fc1ccc(CSc2nnc(C3CC3)n2Cc2ccco2)cc1-c1nn[n-]n1 ZINC000822774260 607007151 /nfs/dbraw/zinc/00/71/51/607007151.db2.gz IHQDUJUFPXZKGW-UHFFFAOYSA-N -1 3 397.439 3.408 20 0 GGADHM Fc1ccc(COc2ccccc2I)cc1-c1nnn[n-]1 ZINC000822771672 607008314 /nfs/dbraw/zinc/00/83/14/607008314.db2.gz JSLJETBHRQWFAM-UHFFFAOYSA-N -1 3 396.163 3.189 20 0 GGADHM Fc1ccc(COc2ccccc2I)cc1-c1nn[n-]n1 ZINC000822771672 607008315 /nfs/dbraw/zinc/00/83/15/607008315.db2.gz JSLJETBHRQWFAM-UHFFFAOYSA-N -1 3 396.163 3.189 20 0 GGADHM Cc1ccc(C=Cc2nc(SCc3ccc(F)c(-c4nnn[n-]4)c3)n[nH]2)o1 ZINC000822233214 607008827 /nfs/dbraw/zinc/00/88/27/607008827.db2.gz KRWHBGUKMLXKKQ-ALCCZGGFSA-N -1 3 383.412 3.488 20 0 GGADHM Cc1ccc(C=Cc2nc(SCc3ccc(F)c(-c4nn[n-]n4)c3)n[nH]2)o1 ZINC000822233214 607008828 /nfs/dbraw/zinc/00/88/28/607008828.db2.gz KRWHBGUKMLXKKQ-ALCCZGGFSA-N -1 3 383.412 3.488 20 0 GGADHM COC(=O)c1ccc2nc(SCc3ccc(F)c(-c4nnn[n-]4)c3)oc2c1 ZINC000821670295 607010136 /nfs/dbraw/zinc/01/01/36/607010136.db2.gz WLSGVARRIMHUBQ-UHFFFAOYSA-N -1 3 385.380 3.226 20 0 GGADHM COC(=O)c1ccc2nc(SCc3ccc(F)c(-c4nn[n-]n4)c3)oc2c1 ZINC000821670295 607010138 /nfs/dbraw/zinc/01/01/38/607010138.db2.gz WLSGVARRIMHUBQ-UHFFFAOYSA-N -1 3 385.380 3.226 20 0 GGADHM CC(C)CN(C(=O)c1cncc(OC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081337 607012014 /nfs/dbraw/zinc/01/20/14/607012014.db2.gz COUBRQGPSDKAPD-UHFFFAOYSA-N -1 3 380.452 3.352 20 0 GGADHM CC(C)CN(C(=O)c1cncc(OC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081337 607012015 /nfs/dbraw/zinc/01/20/15/607012015.db2.gz COUBRQGPSDKAPD-UHFFFAOYSA-N -1 3 380.452 3.352 20 0 GGADHM Cc1c([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnn1-c1ccc(C)cc1 ZINC000822224920 607013060 /nfs/dbraw/zinc/01/30/60/607013060.db2.gz GARIEXTUCXAEMS-HUUCEWRRSA-N -1 3 388.479 3.476 20 0 GGADHM CN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000821570927 607013324 /nfs/dbraw/zinc/01/33/24/607013324.db2.gz RFXMLYOCKWAHFM-UHFFFAOYSA-N -1 3 382.474 3.232 20 0 GGADHM CN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000821570927 607013325 /nfs/dbraw/zinc/01/33/25/607013325.db2.gz RFXMLYOCKWAHFM-UHFFFAOYSA-N -1 3 382.474 3.232 20 0 GGADHM CCCCOc1cccc(CNC(=O)CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077392 607013336 /nfs/dbraw/zinc/01/33/36/607013336.db2.gz DCTLZWPVFJWRGG-UHFFFAOYSA-N -1 3 397.504 3.454 20 0 GGADHM CCCCOc1cccc(CNC(=O)CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077392 607013337 /nfs/dbraw/zinc/01/33/37/607013337.db2.gz DCTLZWPVFJWRGG-UHFFFAOYSA-N -1 3 397.504 3.454 20 0 GGADHM Cc1ccsc1-c1nnc(NC(=O)CSc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822378671 607013749 /nfs/dbraw/zinc/01/37/49/607013749.db2.gz CQYPSQBQWNOVOO-UHFFFAOYSA-N -1 3 399.461 3.017 20 0 GGADHM Cc1ccsc1-c1nnc(NC(=O)CSc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822378671 607013750 /nfs/dbraw/zinc/01/37/50/607013750.db2.gz CQYPSQBQWNOVOO-UHFFFAOYSA-N -1 3 399.461 3.017 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821882925 607015786 /nfs/dbraw/zinc/01/57/86/607015786.db2.gz NQJGZLCUBSQRFT-CHWSQXEVSA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821882925 607015788 /nfs/dbraw/zinc/01/57/88/607015788.db2.gz NQJGZLCUBSQRFT-CHWSQXEVSA-N -1 3 383.477 3.233 20 0 GGADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573673 607019825 /nfs/dbraw/zinc/01/98/25/607019825.db2.gz ZOCWCBYVAAEDSD-ZDUSSCGKSA-N -1 3 396.760 3.291 20 0 GGADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573673 607019827 /nfs/dbraw/zinc/01/98/27/607019827.db2.gz ZOCWCBYVAAEDSD-ZDUSSCGKSA-N -1 3 396.760 3.291 20 0 GGADHM Cc1ccccc1C1(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822351516 607020989 /nfs/dbraw/zinc/02/09/89/607020989.db2.gz NFAMDQFKYNEURR-UHFFFAOYSA-N -1 3 391.475 3.181 20 0 GGADHM Cc1ccccc1C1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822351516 607020991 /nfs/dbraw/zinc/02/09/91/607020991.db2.gz NFAMDQFKYNEURR-UHFFFAOYSA-N -1 3 391.475 3.181 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000822929675 607026551 /nfs/dbraw/zinc/02/65/51/607026551.db2.gz WOVMCVZOXHPNGY-SNGWPZLWSA-N -1 3 387.365 3.170 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000822929675 607026552 /nfs/dbraw/zinc/02/65/52/607026552.db2.gz WOVMCVZOXHPNGY-SNGWPZLWSA-N -1 3 387.365 3.170 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1-c1ncco1 ZINC000822242352 607027625 /nfs/dbraw/zinc/02/76/25/607027625.db2.gz IYWDCENBIOTVQT-ZDUSSCGKSA-N -1 3 390.403 3.236 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1-c1ncco1 ZINC000822242352 607027627 /nfs/dbraw/zinc/02/76/27/607027627.db2.gz IYWDCENBIOTVQT-ZDUSSCGKSA-N -1 3 390.403 3.236 20 0 GGADHM O[C@@]12CCCC[C@H]1CN(c1c(-c3nnn[n-]3)cnc3ccc(Cl)cc31)CC2 ZINC000823698303 607033308 /nfs/dbraw/zinc/03/33/08/607033308.db2.gz PAQPYWPAYZLAGD-HXPMCKFVSA-N -1 3 384.871 3.200 20 0 GGADHM O[C@@]12CCCC[C@H]1CN(c1c(-c3nn[n-]n3)cnc3ccc(Cl)cc31)CC2 ZINC000823698303 607033310 /nfs/dbraw/zinc/03/33/10/607033310.db2.gz PAQPYWPAYZLAGD-HXPMCKFVSA-N -1 3 384.871 3.200 20 0 GGADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000819996956 607033319 /nfs/dbraw/zinc/03/33/19/607033319.db2.gz OVKCAHIOXIAEKZ-UHFFFAOYSA-N -1 3 385.493 3.180 20 0 GGADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000819996956 607033321 /nfs/dbraw/zinc/03/33/21/607033321.db2.gz OVKCAHIOXIAEKZ-UHFFFAOYSA-N -1 3 385.493 3.180 20 0 GGADHM c1nn(-c2ccccc2)cc1CSCCOc1ccccc1-c1nnn[n-]1 ZINC000823771956 607033861 /nfs/dbraw/zinc/03/38/61/607033861.db2.gz GEJXFTUBXXSIQR-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM c1nn(-c2ccccc2)cc1CSCCOc1ccccc1-c1nn[n-]n1 ZINC000823771956 607033863 /nfs/dbraw/zinc/03/38/63/607033863.db2.gz GEJXFTUBXXSIQR-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@H]2CC[C@H](C)C2)c1C ZINC000822482717 607039901 /nfs/dbraw/zinc/03/99/01/607039901.db2.gz YFAVKHSHFRJYNW-WFASDCNBSA-N -1 3 379.468 3.434 20 0 GGADHM COC(=O)c1ccc2nc(SCc3cc(F)ccc3-c3nnn[n-]3)oc2c1 ZINC000821670238 607039909 /nfs/dbraw/zinc/03/99/09/607039909.db2.gz UAHRJITVVTWJMP-UHFFFAOYSA-N -1 3 385.380 3.226 20 0 GGADHM COC(=O)c1ccc2nc(SCc3cc(F)ccc3-c3nn[n-]n3)oc2c1 ZINC000821670238 607039910 /nfs/dbraw/zinc/03/99/10/607039910.db2.gz UAHRJITVVTWJMP-UHFFFAOYSA-N -1 3 385.380 3.226 20 0 GGADHM CC(C)n1nccc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820215082 607040766 /nfs/dbraw/zinc/04/07/66/607040766.db2.gz SDSNOUIPVWHLPM-UHFFFAOYSA-N -1 3 393.476 3.303 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCNc1ccccc1C ZINC000821118250 607042769 /nfs/dbraw/zinc/04/27/69/607042769.db2.gz JWQXERRTGJRQLI-UHFFFAOYSA-N -1 3 379.468 3.438 20 0 GGADHM Cc1cccc(C)c1CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822294170 607045270 /nfs/dbraw/zinc/04/52/70/607045270.db2.gz UAKKTXPYMQEUEP-UHFFFAOYSA-N -1 3 396.520 3.216 20 0 GGADHM Cc1cccc(C)c1CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822294170 607045272 /nfs/dbraw/zinc/04/52/72/607045272.db2.gz UAKKTXPYMQEUEP-UHFFFAOYSA-N -1 3 396.520 3.216 20 0 GGADHM C[C@@H](O)C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000820474650 607045817 /nfs/dbraw/zinc/04/58/17/607045817.db2.gz UKSVYTLEHZIUIJ-YPMHNXCESA-N -1 3 392.385 3.247 20 0 GGADHM C[C@@H](O)C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000820474650 607045819 /nfs/dbraw/zinc/04/58/19/607045819.db2.gz UKSVYTLEHZIUIJ-YPMHNXCESA-N -1 3 392.385 3.247 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000822204558 607047970 /nfs/dbraw/zinc/04/79/70/607047970.db2.gz SQHVLBUTZIXZRH-SJKOYZFVSA-N -1 3 392.442 3.146 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000822204558 607047971 /nfs/dbraw/zinc/04/79/71/607047971.db2.gz SQHVLBUTZIXZRH-SJKOYZFVSA-N -1 3 392.442 3.146 20 0 GGADHM Cc1ccc(CC[C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234645 607048101 /nfs/dbraw/zinc/04/81/01/607048101.db2.gz CBTFSKIBVPSTCK-CYBMUJFWSA-N -1 3 383.452 3.063 20 0 GGADHM Cc1ccc(CC[C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234645 607048103 /nfs/dbraw/zinc/04/81/03/607048103.db2.gz CBTFSKIBVPSTCK-CYBMUJFWSA-N -1 3 383.452 3.063 20 0 GGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821448239 607051945 /nfs/dbraw/zinc/05/19/45/607051945.db2.gz MLZKNYYRLUTEOI-GDBMZVCRSA-N -1 3 389.525 3.157 20 0 GGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821448239 607051946 /nfs/dbraw/zinc/05/19/46/607051946.db2.gz MLZKNYYRLUTEOI-GDBMZVCRSA-N -1 3 389.525 3.157 20 0 GGADHM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820819812 607066633 /nfs/dbraw/zinc/06/66/33/607066633.db2.gz LECKYSHMAGSRFY-KGLIPLIRSA-N -1 3 395.488 3.267 20 0 GGADHM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820819812 607066634 /nfs/dbraw/zinc/06/66/34/607066634.db2.gz LECKYSHMAGSRFY-KGLIPLIRSA-N -1 3 395.488 3.267 20 0 GGADHM O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823144956 607078807 /nfs/dbraw/zinc/07/88/07/607078807.db2.gz NIFXZAJVZPELQU-CQSZACIVSA-N -1 3 381.461 3.495 20 0 GGADHM O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823144956 607078808 /nfs/dbraw/zinc/07/88/08/607078808.db2.gz NIFXZAJVZPELQU-CQSZACIVSA-N -1 3 381.461 3.495 20 0 GGADHM O=C(CCCOCCc1ccccc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822959163 607079712 /nfs/dbraw/zinc/07/97/12/607079712.db2.gz UJIQZOMBLHDDBB-UHFFFAOYSA-N -1 3 384.411 3.089 20 0 GGADHM O=C(CCCOCCc1ccccc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822959163 607079714 /nfs/dbraw/zinc/07/97/14/607079714.db2.gz UJIQZOMBLHDDBB-UHFFFAOYSA-N -1 3 384.411 3.089 20 0 GGADHM Cc1cc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n(C)n1 ZINC000822200952 607092744 /nfs/dbraw/zinc/09/27/44/607092744.db2.gz KPWKUEMMDSASMM-UHFFFAOYSA-N -1 3 389.419 3.009 20 0 GGADHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000823383333 607097727 /nfs/dbraw/zinc/09/77/27/607097727.db2.gz PRLNOFIKSLBRFJ-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000823383333 607097728 /nfs/dbraw/zinc/09/77/28/607097728.db2.gz PRLNOFIKSLBRFJ-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1-c1nnn[n-]1 ZINC000823562996 607099402 /nfs/dbraw/zinc/09/94/02/607099402.db2.gz YHPUISHMFIZLLH-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1-c1nn[n-]n1 ZINC000823562996 607099403 /nfs/dbraw/zinc/09/94/03/607099403.db2.gz YHPUISHMFIZLLH-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1NC1CC1 ZINC000823061102 607099512 /nfs/dbraw/zinc/09/95/12/607099512.db2.gz VWGMPPQYIRTOKG-UHFFFAOYSA-N -1 3 398.467 3.452 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1NC1CC1 ZINC000823061102 607099513 /nfs/dbraw/zinc/09/95/13/607099513.db2.gz VWGMPPQYIRTOKG-UHFFFAOYSA-N -1 3 398.467 3.452 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000821305031 607099711 /nfs/dbraw/zinc/09/97/11/607099711.db2.gz VMJZFUSAXXYWOY-UHFFFAOYSA-N -1 3 375.436 3.351 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000821305122 607099845 /nfs/dbraw/zinc/09/98/45/607099845.db2.gz XUTWJYNPFDFQBV-UHFFFAOYSA-N -1 3 388.435 3.045 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1ccccc1Cl ZINC000821304216 607101911 /nfs/dbraw/zinc/10/19/11/607101911.db2.gz BJDKWJVFKGRVTA-UHFFFAOYSA-N -1 3 386.843 3.360 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC000821308446 607102360 /nfs/dbraw/zinc/10/23/60/607102360.db2.gz ALTRGPWSBTXDFP-UHFFFAOYSA-N -1 3 386.419 3.008 20 0 GGADHM O=C(CSc1nccc2ccccc21)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000823070991 607113912 /nfs/dbraw/zinc/11/39/12/607113912.db2.gz WLZSUTUEYCBPJE-UHFFFAOYSA-N -1 3 377.429 3.250 20 0 GGADHM O=C(CSc1nccc2ccccc21)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000823070991 607113913 /nfs/dbraw/zinc/11/39/13/607113913.db2.gz WLZSUTUEYCBPJE-UHFFFAOYSA-N -1 3 377.429 3.250 20 0 GGADHM O=C(/C=C/SCc1ccco1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822922595 607114006 /nfs/dbraw/zinc/11/40/06/607114006.db2.gz HYAIPZCXEMYHPH-RMKNXTFCSA-N -1 3 381.417 3.203 20 0 GGADHM O=C(/C=C/SCc1ccco1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822922595 607114007 /nfs/dbraw/zinc/11/40/07/607114007.db2.gz HYAIPZCXEMYHPH-RMKNXTFCSA-N -1 3 381.417 3.203 20 0 GGADHM CC(=O)c1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000819844390 607114432 /nfs/dbraw/zinc/11/44/32/607114432.db2.gz FZRXJEJBWKJTNZ-UHFFFAOYSA-N -1 3 388.330 3.028 20 0 GGADHM CC(=O)c1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000819844390 607114433 /nfs/dbraw/zinc/11/44/33/607114433.db2.gz FZRXJEJBWKJTNZ-UHFFFAOYSA-N -1 3 388.330 3.028 20 0 GGADHM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209330 607114631 /nfs/dbraw/zinc/11/46/31/607114631.db2.gz DCQUWSLLVXCULT-KBPBESRZSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209330 607114632 /nfs/dbraw/zinc/11/46/32/607114632.db2.gz DCQUWSLLVXCULT-KBPBESRZSA-N -1 3 377.452 3.203 20 0 GGADHM COc1cc(N[C@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821720476 607119030 /nfs/dbraw/zinc/11/90/30/607119030.db2.gz SKLLJGNCKUIAKS-ZDUSSCGKSA-N -1 3 398.442 3.104 20 0 GGADHM COc1cc(N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821720476 607119032 /nfs/dbraw/zinc/11/90/32/607119032.db2.gz SKLLJGNCKUIAKS-ZDUSSCGKSA-N -1 3 398.442 3.104 20 0 GGADHM Cc1ccc(C(=O)COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822225331 607119211 /nfs/dbraw/zinc/11/92/11/607119211.db2.gz YURAHMLVBAOLBL-UHFFFAOYSA-N -1 3 394.431 3.067 20 0 GGADHM CCCc1ccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821142702 607121857 /nfs/dbraw/zinc/12/18/57/607121857.db2.gz MASYQMZUTYDADK-UHFFFAOYSA-N -1 3 377.857 3.273 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000820220383 607134215 /nfs/dbraw/zinc/13/42/15/607134215.db2.gz SSHDWECHAGDCEM-CQSZACIVSA-N -1 3 395.438 3.212 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000820220383 607134217 /nfs/dbraw/zinc/13/42/17/607134217.db2.gz SSHDWECHAGDCEM-CQSZACIVSA-N -1 3 395.438 3.212 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000821109447 607134434 /nfs/dbraw/zinc/13/44/34/607134434.db2.gz IQDUYTGNTDOGCP-UHFFFAOYSA-N -1 3 383.427 3.132 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000821109447 607134435 /nfs/dbraw/zinc/13/44/35/607134435.db2.gz IQDUYTGNTDOGCP-UHFFFAOYSA-N -1 3 383.427 3.132 20 0 GGADHM COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821690473 607134534 /nfs/dbraw/zinc/13/45/34/607134534.db2.gz NCPWSZHRAUBGND-UHFFFAOYSA-N -1 3 390.831 3.102 20 0 GGADHM COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821690473 607134535 /nfs/dbraw/zinc/13/45/35/607134535.db2.gz NCPWSZHRAUBGND-UHFFFAOYSA-N -1 3 390.831 3.102 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000820541180 607135214 /nfs/dbraw/zinc/13/52/14/607135214.db2.gz BRTLCQKMZXBRCB-VIFPVBQESA-N -1 3 393.325 3.013 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000820541180 607135217 /nfs/dbraw/zinc/13/52/17/607135217.db2.gz BRTLCQKMZXBRCB-VIFPVBQESA-N -1 3 393.325 3.013 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](Oc3ccc(-c4nnn[n-]4)cc3F)C2=O)c1 ZINC000822239945 607138323 /nfs/dbraw/zinc/13/83/23/607138323.db2.gz LKZXUHPMVLVESP-QGZVFWFLSA-N -1 3 385.374 3.028 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](Oc3ccc(-c4nn[n-]n4)cc3F)C2=O)c1 ZINC000822239945 607138325 /nfs/dbraw/zinc/13/83/25/607138325.db2.gz LKZXUHPMVLVESP-QGZVFWFLSA-N -1 3 385.374 3.028 20 0 GGADHM O=C1[C@H](Oc2ccc(-c3nnn[n-]3)cc2F)CCCN1c1ccccc1Cl ZINC000823513236 607138915 /nfs/dbraw/zinc/13/89/15/607138915.db2.gz UFNZXMSTNXEWPW-MRXNPFEDSA-N -1 3 387.802 3.234 20 0 GGADHM O=C1[C@H](Oc2ccc(-c3nn[n-]n3)cc2F)CCCN1c1ccccc1Cl ZINC000823513236 607138917 /nfs/dbraw/zinc/13/89/17/607138917.db2.gz UFNZXMSTNXEWPW-MRXNPFEDSA-N -1 3 387.802 3.234 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820375144 607138889 /nfs/dbraw/zinc/13/88/89/607138889.db2.gz YRYLHPFRROMXON-SECBINFHSA-N -1 3 392.341 3.490 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820375144 607138891 /nfs/dbraw/zinc/13/88/91/607138891.db2.gz YRYLHPFRROMXON-SECBINFHSA-N -1 3 392.341 3.490 20 0 GGADHM C[C@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820373839 607138907 /nfs/dbraw/zinc/13/89/07/607138907.db2.gz JOVQUOUFQGUSLF-VIFPVBQESA-N -1 3 392.341 3.490 20 0 GGADHM C[C@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820373839 607138909 /nfs/dbraw/zinc/13/89/09/607138909.db2.gz JOVQUOUFQGUSLF-VIFPVBQESA-N -1 3 392.341 3.490 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccccc2o1 ZINC000820535235 607139736 /nfs/dbraw/zinc/13/97/36/607139736.db2.gz OQJAZQZMHRECLM-NEPJUHHUSA-N -1 3 395.394 3.397 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2o1 ZINC000820535235 607139737 /nfs/dbraw/zinc/13/97/37/607139737.db2.gz OQJAZQZMHRECLM-NEPJUHHUSA-N -1 3 395.394 3.397 20 0 GGADHM CC1(C)C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000820590266 607150198 /nfs/dbraw/zinc/15/01/98/607150198.db2.gz RDKRPXGDIRBWSW-HNNXBMFYSA-N -1 3 380.477 3.456 20 0 GGADHM CC1(C)C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820590266 607150199 /nfs/dbraw/zinc/15/01/99/607150199.db2.gz RDKRPXGDIRBWSW-HNNXBMFYSA-N -1 3 380.477 3.456 20 0 GGADHM COc1ccc(CCNC(=S)Nc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000821789959 607150894 /nfs/dbraw/zinc/15/08/94/607150894.db2.gz CLXXCTHKCNRKBF-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM COc1ccc(CCNC(=S)Nc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000821789959 607150895 /nfs/dbraw/zinc/15/08/95/607150895.db2.gz CLXXCTHKCNRKBF-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822986557 607151270 /nfs/dbraw/zinc/15/12/70/607151270.db2.gz HHIHPSLZWIKMIT-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822986557 607151272 /nfs/dbraw/zinc/15/12/72/607151272.db2.gz HHIHPSLZWIKMIT-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM C[C@H](COc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820293511 607151499 /nfs/dbraw/zinc/15/14/99/607151499.db2.gz LGFOSBPJLAVALS-OAHLLOKOSA-N -1 3 377.448 3.073 20 0 GGADHM C[C@H](COc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820293511 607151500 /nfs/dbraw/zinc/15/15/00/607151500.db2.gz LGFOSBPJLAVALS-OAHLLOKOSA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(Br)s1 ZINC000822168488 607154246 /nfs/dbraw/zinc/15/42/46/607154246.db2.gz OAVOPCRJZWSXHQ-UHFFFAOYSA-N -1 3 392.282 3.271 20 0 GGADHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Br)s1 ZINC000822168488 607154247 /nfs/dbraw/zinc/15/42/47/607154247.db2.gz OAVOPCRJZWSXHQ-UHFFFAOYSA-N -1 3 392.282 3.271 20 0 GGADHM CCO[C@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)C ZINC000821350837 607154853 /nfs/dbraw/zinc/15/48/53/607154853.db2.gz FCUIUGGDBRKCRP-QGZVFWFLSA-N -1 3 396.451 3.444 20 0 GGADHM CCO[C@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)C ZINC000821350837 607154855 /nfs/dbraw/zinc/15/48/55/607154855.db2.gz FCUIUGGDBRKCRP-QGZVFWFLSA-N -1 3 396.451 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000819976032 607156579 /nfs/dbraw/zinc/15/65/79/607156579.db2.gz ILODANVOAGCLID-UHFFFAOYSA-N -1 3 398.471 3.035 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000819976032 607156580 /nfs/dbraw/zinc/15/65/80/607156580.db2.gz ILODANVOAGCLID-UHFFFAOYSA-N -1 3 398.471 3.035 20 0 GGADHM CC(=O)Oc1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000819828067 607156632 /nfs/dbraw/zinc/15/66/32/607156632.db2.gz YPZVBLCMMWJCEP-UHFFFAOYSA-N -1 3 381.461 3.358 20 0 GGADHM CC(=O)Oc1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000819828067 607156633 /nfs/dbraw/zinc/15/66/33/607156633.db2.gz YPZVBLCMMWJCEP-UHFFFAOYSA-N -1 3 381.461 3.358 20 0 GGADHM O=C(COc1ccc(Cl)cc1)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040414 607161832 /nfs/dbraw/zinc/16/18/32/607161832.db2.gz KGCNKBFMIWMMGC-UHFFFAOYSA-N -1 3 379.203 3.200 20 0 GGADHM O=C(COc1ccc(Cl)cc1)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040414 607161834 /nfs/dbraw/zinc/16/18/34/607161834.db2.gz KGCNKBFMIWMMGC-UHFFFAOYSA-N -1 3 379.203 3.200 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823146171 607167908 /nfs/dbraw/zinc/16/79/08/607167908.db2.gz UYNZEFDLCJCTAT-KVULBXGLSA-N -1 3 393.447 3.347 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823146171 607167910 /nfs/dbraw/zinc/16/79/10/607167910.db2.gz UYNZEFDLCJCTAT-KVULBXGLSA-N -1 3 393.447 3.347 20 0 GGADHM FC(F)Oc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822737223 607168085 /nfs/dbraw/zinc/16/80/85/607168085.db2.gz RBFRJWXPAGANJW-UHFFFAOYSA-N -1 3 385.334 3.130 20 0 GGADHM FC(F)Oc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822737223 607168087 /nfs/dbraw/zinc/16/80/87/607168087.db2.gz RBFRJWXPAGANJW-UHFFFAOYSA-N -1 3 385.334 3.130 20 0 GGADHM CC1(c2ccccc2)CCC(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820633444 607168713 /nfs/dbraw/zinc/16/87/13/607168713.db2.gz BKSYAOJCJSFNCM-UHFFFAOYSA-N -1 3 375.476 3.426 20 0 GGADHM CC1(c2ccccc2)CCC(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820633444 607168715 /nfs/dbraw/zinc/16/87/15/607168715.db2.gz BKSYAOJCJSFNCM-UHFFFAOYSA-N -1 3 375.476 3.426 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821882747 607172155 /nfs/dbraw/zinc/17/21/55/607172155.db2.gz JPRDKPIIAFJBLF-GOSISDBHSA-N -1 3 390.403 3.379 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821882747 607172156 /nfs/dbraw/zinc/17/21/56/607172156.db2.gz JPRDKPIIAFJBLF-GOSISDBHSA-N -1 3 390.403 3.379 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000820456277 607172822 /nfs/dbraw/zinc/17/28/22/607172822.db2.gz RCVAGMKNLPDUBF-QWRGUYRKSA-N -1 3 382.390 3.087 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000820456277 607172823 /nfs/dbraw/zinc/17/28/23/607172823.db2.gz RCVAGMKNLPDUBF-QWRGUYRKSA-N -1 3 382.390 3.087 20 0 GGADHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822497007 607174808 /nfs/dbraw/zinc/17/48/08/607174808.db2.gz WELRBWJMCVRDDO-AWEZNQCLSA-N -1 3 377.374 3.269 20 0 GGADHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822497007 607174809 /nfs/dbraw/zinc/17/48/09/607174809.db2.gz WELRBWJMCVRDDO-AWEZNQCLSA-N -1 3 377.374 3.269 20 0 GGADHM FC(F)(F)c1ccc(N[C@@H]2CCOC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723959 607175961 /nfs/dbraw/zinc/17/59/61/607175961.db2.gz UUBSLVRPZWPLRE-GFCCVEGCSA-N -1 3 383.374 3.026 20 0 GGADHM FC(F)(F)c1ccc(N[C@@H]2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723959 607175962 /nfs/dbraw/zinc/17/59/62/607175962.db2.gz UUBSLVRPZWPLRE-GFCCVEGCSA-N -1 3 383.374 3.026 20 0 GGADHM COc1ccc(-c2noc([C@H](C)N(C)Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821765960 607176272 /nfs/dbraw/zinc/17/62/72/607176272.db2.gz OHUCJXWYLGBLEQ-ZDUSSCGKSA-N -1 3 391.435 3.118 20 0 GGADHM FC(F)(F)c1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1-c1nnn[n-]1 ZINC000822723673 607176667 /nfs/dbraw/zinc/17/66/67/607176667.db2.gz KIRGSSUJCVHVSF-ABAIWWIYSA-N -1 3 385.415 3.352 20 0 GGADHM FC(F)(F)c1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1-c1nn[n-]n1 ZINC000822723673 607176668 /nfs/dbraw/zinc/17/66/68/607176668.db2.gz KIRGSSUJCVHVSF-ABAIWWIYSA-N -1 3 385.415 3.352 20 0 GGADHM CCOc1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000821437512 607189819 /nfs/dbraw/zinc/18/98/19/607189819.db2.gz OVLBYVYWKWVOCM-UHFFFAOYSA-N -1 3 379.207 3.220 20 0 GGADHM CCOc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000821437512 607189820 /nfs/dbraw/zinc/18/98/20/607189820.db2.gz OVLBYVYWKWVOCM-UHFFFAOYSA-N -1 3 379.207 3.220 20 0 GGADHM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822954726 607191015 /nfs/dbraw/zinc/19/10/15/607191015.db2.gz AOAXJHCJINVWCF-ZDUSSCGKSA-N -1 3 396.838 3.050 20 0 GGADHM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822954726 607191016 /nfs/dbraw/zinc/19/10/16/607191016.db2.gz AOAXJHCJINVWCF-ZDUSSCGKSA-N -1 3 396.838 3.050 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000823318699 607191151 /nfs/dbraw/zinc/19/11/51/607191151.db2.gz IDXCCLISEQYAIW-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000823318699 607191152 /nfs/dbraw/zinc/19/11/52/607191152.db2.gz IDXCCLISEQYAIW-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823074453 607192747 /nfs/dbraw/zinc/19/27/47/607192747.db2.gz SDJXEEICLQGKOT-UHFFFAOYSA-N -1 3 399.279 3.067 20 0 GGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823074453 607192748 /nfs/dbraw/zinc/19/27/48/607192748.db2.gz SDJXEEICLQGKOT-UHFFFAOYSA-N -1 3 399.279 3.067 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C(F)F)ccc1Cl ZINC000823037145 607192880 /nfs/dbraw/zinc/19/28/80/607192880.db2.gz QXVSZPRLRIRBQZ-UHFFFAOYSA-N -1 3 379.754 3.475 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NC1(CO)CCC1 ZINC000822211539 607194411 /nfs/dbraw/zinc/19/44/11/607194411.db2.gz DDTOYAJAVPYIAP-UHFFFAOYSA-N -1 3 394.435 3.004 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NC1(CO)CCC1 ZINC000822211539 607194412 /nfs/dbraw/zinc/19/44/12/607194412.db2.gz DDTOYAJAVPYIAP-UHFFFAOYSA-N -1 3 394.435 3.004 20 0 GGADHM Cc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822259081 607197610 /nfs/dbraw/zinc/19/76/10/607197610.db2.gz LVVVZEPVRQZWTC-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822259081 607197611 /nfs/dbraw/zinc/19/76/11/607197611.db2.gz LVVVZEPVRQZWTC-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000819959004 607197821 /nfs/dbraw/zinc/19/78/21/607197821.db2.gz UGEZRGOOXFANTO-UHFFFAOYSA-N -1 3 375.820 3.127 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000819959004 607197822 /nfs/dbraw/zinc/19/78/22/607197822.db2.gz UGEZRGOOXFANTO-UHFFFAOYSA-N -1 3 375.820 3.127 20 0 GGADHM COc1cccc(C2(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000821862458 607198122 /nfs/dbraw/zinc/19/81/22/607198122.db2.gz BNUYHOQDJKRJRM-UHFFFAOYSA-N -1 3 384.827 3.340 20 0 GGADHM COc1cccc(C2(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000821862458 607198123 /nfs/dbraw/zinc/19/81/23/607198123.db2.gz BNUYHOQDJKRJRM-UHFFFAOYSA-N -1 3 384.827 3.340 20 0 GGADHM C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820254674 607198649 /nfs/dbraw/zinc/19/86/49/607198649.db2.gz UMDQZACGUQHGKC-LLVKDONJSA-N -1 3 386.843 3.369 20 0 GGADHM C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820254674 607198650 /nfs/dbraw/zinc/19/86/50/607198650.db2.gz UMDQZACGUQHGKC-LLVKDONJSA-N -1 3 386.843 3.369 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(CCO)[C@@H]1CCc2ccccc21 ZINC000823313845 607201288 /nfs/dbraw/zinc/20/12/88/607201288.db2.gz KCXRJIKQNINSQB-QGZVFWFLSA-N -1 3 398.854 3.034 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(CCO)[C@@H]1CCc2ccccc21 ZINC000823313845 607201289 /nfs/dbraw/zinc/20/12/89/607201289.db2.gz KCXRJIKQNINSQB-QGZVFWFLSA-N -1 3 398.854 3.034 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820703169 607202335 /nfs/dbraw/zinc/20/23/35/607202335.db2.gz DBVCEIKOJKOTRV-XHDPSFHLSA-N -1 3 378.864 3.237 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820703169 607202336 /nfs/dbraw/zinc/20/23/36/607202336.db2.gz DBVCEIKOJKOTRV-XHDPSFHLSA-N -1 3 378.864 3.237 20 0 GGADHM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820235662 607202497 /nfs/dbraw/zinc/20/24/97/607202497.db2.gz UBTYFJWOPZWGKD-ZBEGNZNMSA-N -1 3 386.843 3.154 20 0 GGADHM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820235662 607202498 /nfs/dbraw/zinc/20/24/98/607202498.db2.gz UBTYFJWOPZWGKD-ZBEGNZNMSA-N -1 3 386.843 3.154 20 0 GGADHM O=C(NCCCOC1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823191073 607202694 /nfs/dbraw/zinc/20/26/94/607202694.db2.gz ICXPFJJFTNXRED-UHFFFAOYSA-N -1 3 378.864 3.381 20 0 GGADHM O=C(NCCCOC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823191073 607202695 /nfs/dbraw/zinc/20/26/95/607202695.db2.gz ICXPFJJFTNXRED-UHFFFAOYSA-N -1 3 378.864 3.381 20 0 GGADHM O=C(NCCCn1cnc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823197745 607202858 /nfs/dbraw/zinc/20/28/58/607202858.db2.gz UHESMOCVHJLYDD-UHFFFAOYSA-N -1 3 396.842 3.082 20 0 GGADHM O=C(NCCCn1cnc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823197745 607202859 /nfs/dbraw/zinc/20/28/59/607202859.db2.gz UHESMOCVHJLYDD-UHFFFAOYSA-N -1 3 396.842 3.082 20 0 GGADHM CC(C)(C)OC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000819945968 607203950 /nfs/dbraw/zinc/20/39/50/607203950.db2.gz ITIOLKJVRGZPQK-UHFFFAOYSA-N -1 3 378.864 3.332 20 0 GGADHM CC(C)(C)OC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819945968 607203951 /nfs/dbraw/zinc/20/39/51/607203951.db2.gz ITIOLKJVRGZPQK-UHFFFAOYSA-N -1 3 378.864 3.332 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000821105025 607214198 /nfs/dbraw/zinc/21/41/98/607214198.db2.gz VWZTXVKRQDELQG-OAHLLOKOSA-N -1 3 378.427 3.366 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000821105025 607214199 /nfs/dbraw/zinc/21/41/99/607214199.db2.gz VWZTXVKRQDELQG-OAHLLOKOSA-N -1 3 378.427 3.366 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1N1CCO[C@@H](c2ccccc2)C1 ZINC000822723634 607227478 /nfs/dbraw/zinc/22/74/78/607227478.db2.gz IUXJVNZOKSYJOA-MRXNPFEDSA-N -1 3 375.354 3.463 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1N1CCO[C@@H](c2ccccc2)C1 ZINC000822723634 607227479 /nfs/dbraw/zinc/22/74/79/607227479.db2.gz IUXJVNZOKSYJOA-MRXNPFEDSA-N -1 3 375.354 3.463 20 0 GGADHM Cc1ccc(CSc2ncn(CCOc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000822240132 607229000 /nfs/dbraw/zinc/22/90/00/607229000.db2.gz TYSMTUZUUSMIGB-UHFFFAOYSA-N -1 3 393.476 3.138 20 0 GGADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000820404171 607232414 /nfs/dbraw/zinc/23/24/14/607232414.db2.gz QKNBOENINWVRLB-QMMMGPOBSA-N -1 3 394.769 3.008 20 0 GGADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000820404171 607232415 /nfs/dbraw/zinc/23/24/15/607232415.db2.gz QKNBOENINWVRLB-QMMMGPOBSA-N -1 3 394.769 3.008 20 0 GGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823299365 607234011 /nfs/dbraw/zinc/23/40/11/607234011.db2.gz UKFPQGWDXLPJLY-UHFFFAOYSA-N -1 3 386.847 3.328 20 0 GGADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823299365 607234012 /nfs/dbraw/zinc/23/40/12/607234012.db2.gz UKFPQGWDXLPJLY-UHFFFAOYSA-N -1 3 386.847 3.328 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccc(F)cc1Cl ZINC000821389971 607235533 /nfs/dbraw/zinc/23/55/33/607235533.db2.gz RWLZALTYKJBNKK-UHFFFAOYSA-N -1 3 376.775 3.206 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccc(F)cc1Cl ZINC000821389971 607235534 /nfs/dbraw/zinc/23/55/34/607235534.db2.gz RWLZALTYKJBNKK-UHFFFAOYSA-N -1 3 376.775 3.206 20 0 GGADHM O=C(Cc1ccc(F)cc1Cl)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823082807 607236073 /nfs/dbraw/zinc/23/60/73/607236073.db2.gz QZYOSTWVSQPRHG-UHFFFAOYSA-N -1 3 377.832 3.391 20 0 GGADHM O=C(Cc1ccc(F)cc1Cl)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823082807 607236074 /nfs/dbraw/zinc/23/60/74/607236074.db2.gz QZYOSTWVSQPRHG-UHFFFAOYSA-N -1 3 377.832 3.391 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000819991140 607236402 /nfs/dbraw/zinc/23/64/02/607236402.db2.gz AFNRNBLUFVSQBU-UHFFFAOYSA-N -1 3 395.438 3.354 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000819991140 607236403 /nfs/dbraw/zinc/23/64/03/607236403.db2.gz AFNRNBLUFVSQBU-UHFFFAOYSA-N -1 3 395.438 3.354 20 0 GGADHM CC(C)(C)C1CCC(=CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1 ZINC000819907049 607238115 /nfs/dbraw/zinc/23/81/15/607238115.db2.gz LNRRIZBTBHAOAD-UHFFFAOYSA-N -1 3 387.513 3.270 20 0 GGADHM CC(C)(C)C1CCC(=CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1 ZINC000819907049 607238116 /nfs/dbraw/zinc/23/81/16/607238116.db2.gz LNRRIZBTBHAOAD-UHFFFAOYSA-N -1 3 387.513 3.270 20 0 GGADHM CN(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569385 607238316 /nfs/dbraw/zinc/23/83/16/607238316.db2.gz IRIRAQAFPSVEPO-UHFFFAOYSA-N -1 3 395.438 3.317 20 0 GGADHM CN(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569385 607238317 /nfs/dbraw/zinc/23/83/17/607238317.db2.gz IRIRAQAFPSVEPO-UHFFFAOYSA-N -1 3 395.438 3.317 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@H]1CCC[C@H](C)C1 ZINC000821698523 607239957 /nfs/dbraw/zinc/23/99/57/607239957.db2.gz NLXLHXYLNZGKQR-UWVGGRQHSA-N -1 3 395.257 3.370 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@H]1CCC[C@H](C)C1 ZINC000821698523 607239958 /nfs/dbraw/zinc/23/99/58/607239958.db2.gz NLXLHXYLNZGKQR-UWVGGRQHSA-N -1 3 395.257 3.370 20 0 GGADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1-n1cccn1 ZINC000820501700 607240282 /nfs/dbraw/zinc/24/02/82/607240282.db2.gz KJWUZSWRFCHRQE-ZDUSSCGKSA-N -1 3 392.394 3.038 20 0 GGADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1-n1cccn1 ZINC000820501700 607240283 /nfs/dbraw/zinc/24/02/83/607240283.db2.gz KJWUZSWRFCHRQE-ZDUSSCGKSA-N -1 3 392.394 3.038 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1OC(F)F ZINC000821858853 607242356 /nfs/dbraw/zinc/24/23/56/607242356.db2.gz HLMWFAONMRBTNG-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1OC(F)F ZINC000821858853 607242357 /nfs/dbraw/zinc/24/23/57/607242357.db2.gz HLMWFAONMRBTNG-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822986265 607242840 /nfs/dbraw/zinc/24/28/40/607242840.db2.gz BPZLOUVZJXXZBS-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822986265 607242841 /nfs/dbraw/zinc/24/28/41/607242841.db2.gz BPZLOUVZJXXZBS-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c2c(n1)onc2C(C)C ZINC000822183573 607244334 /nfs/dbraw/zinc/24/43/34/607244334.db2.gz IBYNEEHGWPLZSV-UHFFFAOYSA-N -1 3 382.355 3.193 20 0 GGADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c2c(n1)onc2C(C)C ZINC000822183573 607244335 /nfs/dbraw/zinc/24/43/35/607244335.db2.gz IBYNEEHGWPLZSV-UHFFFAOYSA-N -1 3 382.355 3.193 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(OCc2ccccc2)ccn1 ZINC000823450365 607245181 /nfs/dbraw/zinc/24/51/81/607245181.db2.gz PKMRRMPXVDCTMW-UHFFFAOYSA-N -1 3 391.362 3.199 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(OCc2ccccc2)ccn1 ZINC000823450365 607245182 /nfs/dbraw/zinc/24/51/82/607245182.db2.gz PKMRRMPXVDCTMW-UHFFFAOYSA-N -1 3 391.362 3.199 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(Br)c1 ZINC000823451111 607245848 /nfs/dbraw/zinc/24/58/48/607245848.db2.gz VHRPRCQZMMMSRG-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc(Br)c1 ZINC000823451111 607245849 /nfs/dbraw/zinc/24/58/49/607245849.db2.gz VHRPRCQZMMMSRG-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM O=C(CSCc1cccc(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823061100 607248775 /nfs/dbraw/zinc/24/87/75/607248775.db2.gz VTUDAQZVGMWHOB-UHFFFAOYSA-N -1 3 378.816 3.498 20 0 GGADHM O=C(CSCc1cccc(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823061100 607248776 /nfs/dbraw/zinc/24/87/76/607248776.db2.gz VTUDAQZVGMWHOB-UHFFFAOYSA-N -1 3 378.816 3.498 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233531 607248947 /nfs/dbraw/zinc/24/89/47/607248947.db2.gz QXVKLLJBPARHDM-MAUKXSAKSA-N -1 3 382.395 3.388 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233531 607248948 /nfs/dbraw/zinc/24/89/48/607248948.db2.gz QXVKLLJBPARHDM-MAUKXSAKSA-N -1 3 382.395 3.388 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000824729989 607774813 /nfs/dbraw/zinc/77/48/13/607774813.db2.gz MEACINGNIGKAOM-CKFHNAJUSA-N -1 3 377.448 3.389 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000824729982 607774851 /nfs/dbraw/zinc/77/48/51/607774851.db2.gz MEACINGNIGKAOM-BIENJYKASA-N -1 3 377.448 3.389 20 0 GGADHM COCC[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826155189 607780373 /nfs/dbraw/zinc/78/03/73/607780373.db2.gz JIFXOYLJXJTDTR-GOSISDBHSA-N -1 3 398.488 3.421 20 0 GGADHM COCC[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826155189 607780374 /nfs/dbraw/zinc/78/03/74/607780374.db2.gz JIFXOYLJXJTDTR-GOSISDBHSA-N -1 3 398.488 3.421 20 0 GGADHM CN(C)c1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000825875590 607780883 /nfs/dbraw/zinc/78/08/83/607780883.db2.gz TWIGRCVQXOJHKT-UHFFFAOYSA-N -1 3 391.460 3.309 20 0 GGADHM CN(C)c1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000825875590 607780884 /nfs/dbraw/zinc/78/08/84/607780884.db2.gz TWIGRCVQXOJHKT-UHFFFAOYSA-N -1 3 391.460 3.309 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2O)cc1-c1nnn[n-]1 ZINC000825545142 607780987 /nfs/dbraw/zinc/78/09/87/607780987.db2.gz MORGZBMMDHRBNZ-UHFFFAOYSA-N -1 3 396.407 3.010 20 0 GGADHM O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000826422680 607782497 /nfs/dbraw/zinc/78/24/97/607782497.db2.gz IBTVZKZBUIJLDL-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826422680 607782498 /nfs/dbraw/zinc/78/24/98/607782498.db2.gz IBTVZKZBUIJLDL-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM COc1cc(C)cc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000826178414 607782537 /nfs/dbraw/zinc/78/25/37/607782537.db2.gz XCGZYCCDPBUSLE-UHFFFAOYSA-N -1 3 394.479 3.304 20 0 GGADHM COc1cc(C)cc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000826178414 607782538 /nfs/dbraw/zinc/78/25/38/607782538.db2.gz XCGZYCCDPBUSLE-UHFFFAOYSA-N -1 3 394.479 3.304 20 0 GGADHM CCOC(=O)c1sc(NC(=O)Cc2cccc(CC)c2)c(-c2nnn[n-]2)c1C ZINC000825576490 607783317 /nfs/dbraw/zinc/78/33/17/607783317.db2.gz IKTGGORGKVMWRV-UHFFFAOYSA-N -1 3 399.476 3.157 20 0 GGADHM CCOC(=O)c1sc(NC(=O)Cc2cccc(CC)c2)c(-c2nn[n-]n2)c1C ZINC000825576490 607783318 /nfs/dbraw/zinc/78/33/18/607783318.db2.gz IKTGGORGKVMWRV-UHFFFAOYSA-N -1 3 399.476 3.157 20 0 GGADHM CCSc1ccc(CC(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825675077 607785462 /nfs/dbraw/zinc/78/54/62/607785462.db2.gz VSLYOPXOHUPELY-UHFFFAOYSA-N -1 3 397.504 3.201 20 0 GGADHM CCSc1ccc(CC(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825675077 607785463 /nfs/dbraw/zinc/78/54/63/607785463.db2.gz VSLYOPXOHUPELY-UHFFFAOYSA-N -1 3 397.504 3.201 20 0 GGADHM CN(C(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825817689 607786210 /nfs/dbraw/zinc/78/62/10/607786210.db2.gz MXNAVNWKFBOGNF-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825817689 607786211 /nfs/dbraw/zinc/78/62/11/607786211.db2.gz MXNAVNWKFBOGNF-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)c1cccc(OCc2cscn2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825830840 607787513 /nfs/dbraw/zinc/78/75/13/607787513.db2.gz ZRZQIXKQBIDCQA-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM CN(C(=O)c1cccc(OCc2cscn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825830840 607787514 /nfs/dbraw/zinc/78/75/14/607787514.db2.gz ZRZQIXKQBIDCQA-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825818069 607789156 /nfs/dbraw/zinc/78/91/56/607789156.db2.gz VAFCDNHFKMRFLL-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825818069 607789157 /nfs/dbraw/zinc/78/91/57/607789157.db2.gz VAFCDNHFKMRFLL-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825812494 607790683 /nfs/dbraw/zinc/79/06/83/607790683.db2.gz LEQZWYAWBQTFPC-LSDHHAIUSA-N -1 3 398.264 3.396 20 0 GGADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825812494 607790684 /nfs/dbraw/zinc/79/06/84/607790684.db2.gz LEQZWYAWBQTFPC-LSDHHAIUSA-N -1 3 398.264 3.396 20 0 GGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000825158813 607791367 /nfs/dbraw/zinc/79/13/67/607791367.db2.gz AUSGWKLRGMGCKU-GOSISDBHSA-N -1 3 383.427 3.132 20 0 GGADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000825158813 607791368 /nfs/dbraw/zinc/79/13/68/607791368.db2.gz AUSGWKLRGMGCKU-GOSISDBHSA-N -1 3 383.427 3.132 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000824730470 607795124 /nfs/dbraw/zinc/79/51/24/607795124.db2.gz OAPGJSCRTGGWJZ-MRXNPFEDSA-N -1 3 391.475 3.214 20 0 GGADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366872 607798078 /nfs/dbraw/zinc/79/80/78/607798078.db2.gz HFSJSQNYEIITOW-OALUTQOASA-N -1 3 376.464 3.089 20 0 GGADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366872 607798079 /nfs/dbraw/zinc/79/80/79/607798079.db2.gz HFSJSQNYEIITOW-OALUTQOASA-N -1 3 376.464 3.089 20 0 GGADHM CCN(C(=O)COc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371732 607798345 /nfs/dbraw/zinc/79/83/45/607798345.db2.gz JGOKRILOALYPNE-UHFFFAOYSA-N -1 3 375.791 3.091 20 0 GGADHM CCN(C(=O)COc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371732 607798346 /nfs/dbraw/zinc/79/83/46/607798346.db2.gz JGOKRILOALYPNE-UHFFFAOYSA-N -1 3 375.791 3.091 20 0 GGADHM CCN(C(=O)CCSc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371972 607799699 /nfs/dbraw/zinc/79/96/99/607799699.db2.gz PGHWKPTXCTXEJR-UHFFFAOYSA-N -1 3 383.477 3.411 20 0 GGADHM CCN(C(=O)CCSc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371972 607799700 /nfs/dbraw/zinc/79/97/00/607799700.db2.gz PGHWKPTXCTXEJR-UHFFFAOYSA-N -1 3 383.477 3.411 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825654339 607801094 /nfs/dbraw/zinc/80/10/94/607801094.db2.gz XUHBPCZECLDCIR-GFCCVEGCSA-N -1 3 387.390 3.235 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825654339 607801095 /nfs/dbraw/zinc/80/10/95/607801095.db2.gz XUHBPCZECLDCIR-GFCCVEGCSA-N -1 3 387.390 3.235 20 0 GGADHM Cc1cc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)ncn1 ZINC000826267544 607801750 /nfs/dbraw/zinc/80/17/50/607801750.db2.gz KIPYPOVSIYBRGF-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1cc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ncn1 ZINC000826267544 607801751 /nfs/dbraw/zinc/80/17/51/607801751.db2.gz KIPYPOVSIYBRGF-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826455780 607803426 /nfs/dbraw/zinc/80/34/26/607803426.db2.gz DFCXEPCJOJPITP-RDTXWAMCSA-N -1 3 378.436 3.156 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826455780 607803427 /nfs/dbraw/zinc/80/34/27/607803427.db2.gz DFCXEPCJOJPITP-RDTXWAMCSA-N -1 3 378.436 3.156 20 0 GGADHM O=C(Nc1cc(F)c(Br)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826451857 607803497 /nfs/dbraw/zinc/80/34/97/607803497.db2.gz ZFYDMAQABLNJFJ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1cc(F)c(Br)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826451857 607803498 /nfs/dbraw/zinc/80/34/98/607803498.db2.gz ZFYDMAQABLNJFJ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824011172 607804342 /nfs/dbraw/zinc/80/43/42/607804342.db2.gz YFSRJKXAPRWQRW-LLVKDONJSA-N -1 3 380.452 3.320 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824011172 607804343 /nfs/dbraw/zinc/80/43/43/607804343.db2.gz YFSRJKXAPRWQRW-LLVKDONJSA-N -1 3 380.452 3.320 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824011168 607805153 /nfs/dbraw/zinc/80/51/53/607805153.db2.gz YEQMWOGXILDBAN-UHFFFAOYSA-N -1 3 397.435 3.065 20 0 GGADHM c1cc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc2c1OCC2 ZINC000826514397 607809147 /nfs/dbraw/zinc/80/91/47/607809147.db2.gz QEVKUOYURRRJLM-UHFFFAOYSA-N -1 3 378.417 3.144 20 0 GGADHM c1cc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc2c1OCC2 ZINC000826514397 607809148 /nfs/dbraw/zinc/80/91/48/607809148.db2.gz QEVKUOYURRRJLM-UHFFFAOYSA-N -1 3 378.417 3.144 20 0 GGADHM O=S(=O)(CCSCc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826485637 607814365 /nfs/dbraw/zinc/81/43/65/607814365.db2.gz YQZZNIHKLYWCKX-UHFFFAOYSA-N -1 3 394.909 3.227 20 0 GGADHM O=S(=O)(CCSCc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826485637 607814366 /nfs/dbraw/zinc/81/43/66/607814366.db2.gz YQZZNIHKLYWCKX-UHFFFAOYSA-N -1 3 394.909 3.227 20 0 GGADHM Cc1cc(C)cc(OCc2noc(COc3ccc(-c4nnn[n-]4)cc3F)n2)c1 ZINC000826265389 607817202 /nfs/dbraw/zinc/81/72/02/607817202.db2.gz XBIVIMFASBWIDJ-UHFFFAOYSA-N -1 3 396.382 3.164 20 0 GGADHM Cc1cc(C)cc(OCc2noc(COc3ccc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000826265389 607817203 /nfs/dbraw/zinc/81/72/03/607817203.db2.gz XBIVIMFASBWIDJ-UHFFFAOYSA-N -1 3 396.382 3.164 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2ccccn2)CC1 ZINC000824148022 607817353 /nfs/dbraw/zinc/81/73/53/607817353.db2.gz KMISITVBPWGJKO-UHFFFAOYSA-N -1 3 394.483 3.230 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2ccccn2)CC1 ZINC000824148022 607817354 /nfs/dbraw/zinc/81/73/54/607817354.db2.gz KMISITVBPWGJKO-UHFFFAOYSA-N -1 3 394.483 3.230 20 0 GGADHM COc1ccc2cccc(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC)c2c1 ZINC000826213173 607817872 /nfs/dbraw/zinc/81/78/72/607817872.db2.gz NFPIXTFZQVIGLE-UHFFFAOYSA-N -1 3 389.415 3.218 20 0 GGADHM COc1ccc2cccc(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC)c2c1 ZINC000826213173 607817873 /nfs/dbraw/zinc/81/78/73/607817873.db2.gz NFPIXTFZQVIGLE-UHFFFAOYSA-N -1 3 389.415 3.218 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCC(c2ccccn2)CC1 ZINC000826375587 607820390 /nfs/dbraw/zinc/82/03/90/607820390.db2.gz UARSFFSPYPAJRF-UHFFFAOYSA-N -1 3 393.401 3.472 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC(c2ccccn2)CC1 ZINC000826375587 607820391 /nfs/dbraw/zinc/82/03/91/607820391.db2.gz UARSFFSPYPAJRF-UHFFFAOYSA-N -1 3 393.401 3.472 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826421448 607823546 /nfs/dbraw/zinc/82/35/46/607823546.db2.gz IMXUQDYAGOBBQU-UHFFFAOYSA-N -1 3 397.866 3.133 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826421448 607823547 /nfs/dbraw/zinc/82/35/47/607823547.db2.gz IMXUQDYAGOBBQU-UHFFFAOYSA-N -1 3 397.866 3.133 20 0 GGADHM CC(C)(C)O[C@H](C(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119092 607826775 /nfs/dbraw/zinc/82/67/75/607826775.db2.gz BFPJNZAEJLPGTA-SFHVURJKSA-N -1 3 396.447 3.345 20 0 GGADHM CC(C)(C)O[C@H](C(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119092 607826776 /nfs/dbraw/zinc/82/67/76/607826776.db2.gz BFPJNZAEJLPGTA-SFHVURJKSA-N -1 3 396.447 3.345 20 0 GGADHM C[C@@H]1CSc2ccccc2N(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000825013263 607830377 /nfs/dbraw/zinc/83/03/77/607830377.db2.gz NZHWQLALOLPCID-ZDUSSCGKSA-N -1 3 381.461 3.021 20 0 GGADHM C[C@@H]1CSc2ccccc2N(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000825013263 607830378 /nfs/dbraw/zinc/83/03/78/607830378.db2.gz NZHWQLALOLPCID-ZDUSSCGKSA-N -1 3 381.461 3.021 20 0 GGADHM CCOC[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825589239 607835057 /nfs/dbraw/zinc/83/50/57/607835057.db2.gz CJWPVFXTBUCKCW-SNVBAGLBSA-N -1 3 384.267 3.062 20 0 GGADHM CCOC[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825589239 607835058 /nfs/dbraw/zinc/83/50/58/607835058.db2.gz CJWPVFXTBUCKCW-SNVBAGLBSA-N -1 3 384.267 3.062 20 0 GGADHM C[C@H]1OCC[C@@H]1SCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825019087 607845228 /nfs/dbraw/zinc/84/52/28/607845228.db2.gz CCMDQNBMADCQBQ-PWSUYJOCSA-N -1 3 393.538 3.046 20 0 GGADHM C[C@H]1OCC[C@@H]1SCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825019087 607845229 /nfs/dbraw/zinc/84/52/29/607845229.db2.gz CCMDQNBMADCQBQ-PWSUYJOCSA-N -1 3 393.538 3.046 20 0 GGADHM COc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826219406 607849660 /nfs/dbraw/zinc/84/96/60/607849660.db2.gz AXESHJITFFKHPZ-HNNXBMFYSA-N -1 3 383.427 3.200 20 0 GGADHM COc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826219406 607849661 /nfs/dbraw/zinc/84/96/61/607849661.db2.gz AXESHJITFFKHPZ-HNNXBMFYSA-N -1 3 383.427 3.200 20 0 GGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC000824662655 607850266 /nfs/dbraw/zinc/85/02/66/607850266.db2.gz OZELASVXFHLVEE-SKDRFNHKSA-N -1 3 376.342 3.257 20 0 GGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000824662655 607850267 /nfs/dbraw/zinc/85/02/67/607850267.db2.gz OZELASVXFHLVEE-SKDRFNHKSA-N -1 3 376.342 3.257 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826282511 607854948 /nfs/dbraw/zinc/85/49/48/607854948.db2.gz ROXAYDIELHXSHW-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826282511 607854949 /nfs/dbraw/zinc/85/49/49/607854949.db2.gz ROXAYDIELHXSHW-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1-c1ccccn1 ZINC000826187357 607855723 /nfs/dbraw/zinc/85/57/23/607855723.db2.gz MIVCUMYXZKHVQJ-UHFFFAOYSA-N -1 3 390.378 3.329 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1-c1ccccn1 ZINC000826187357 607855724 /nfs/dbraw/zinc/85/57/24/607855724.db2.gz MIVCUMYXZKHVQJ-UHFFFAOYSA-N -1 3 390.378 3.329 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1COc2ccccc21 ZINC000824507234 607856833 /nfs/dbraw/zinc/85/68/33/607856833.db2.gz WCDXAUZVRNTNSK-GWCFXTLKSA-N -1 3 384.827 3.206 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1COc2ccccc21 ZINC000824507234 607856834 /nfs/dbraw/zinc/85/68/34/607856834.db2.gz WCDXAUZVRNTNSK-GWCFXTLKSA-N -1 3 384.827 3.206 20 0 GGADHM O=C(Nc1cccnc1-c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826457748 607863267 /nfs/dbraw/zinc/86/32/67/607863267.db2.gz OLFHYGZVMOJSFS-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM O=C(Nc1cccnc1-c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826457748 607863268 /nfs/dbraw/zinc/86/32/68/607863268.db2.gz OLFHYGZVMOJSFS-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM O=C(COc1ccccc1SC(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826419783 607867541 /nfs/dbraw/zinc/86/75/41/607867541.db2.gz LVUSNMCBNBOCQO-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O=C(COc1ccccc1SC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826419783 607867542 /nfs/dbraw/zinc/86/75/42/607867542.db2.gz LVUSNMCBNBOCQO-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826174632 607870925 /nfs/dbraw/zinc/87/09/25/607870925.db2.gz DKSDOVWZNNCXFM-CYBMUJFWSA-N -1 3 380.326 3.007 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826174632 607870926 /nfs/dbraw/zinc/87/09/26/607870926.db2.gz DKSDOVWZNNCXFM-CYBMUJFWSA-N -1 3 380.326 3.007 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826174738 607871977 /nfs/dbraw/zinc/87/19/77/607871977.db2.gz HVNIUMNJKAUNLS-CYBMUJFWSA-N -1 3 380.326 3.007 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826174738 607871978 /nfs/dbraw/zinc/87/19/78/607871978.db2.gz HVNIUMNJKAUNLS-CYBMUJFWSA-N -1 3 380.326 3.007 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccccc1F ZINC000825608663 607872403 /nfs/dbraw/zinc/87/24/03/607872403.db2.gz BKHRMALKRAIJLS-AWEZNQCLSA-N -1 3 378.791 3.170 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccccc1F ZINC000825608663 607872404 /nfs/dbraw/zinc/87/24/04/607872404.db2.gz BKHRMALKRAIJLS-AWEZNQCLSA-N -1 3 378.791 3.170 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1ccc(F)cc1C ZINC000825608702 607872450 /nfs/dbraw/zinc/87/24/50/607872450.db2.gz CODQRJRQHXMCNC-OAHLLOKOSA-N -1 3 392.818 3.479 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1ccc(F)cc1C ZINC000825608702 607872451 /nfs/dbraw/zinc/87/24/51/607872451.db2.gz CODQRJRQHXMCNC-OAHLLOKOSA-N -1 3 392.818 3.479 20 0 GGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)c(F)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000826503882 607873706 /nfs/dbraw/zinc/87/37/06/607873706.db2.gz IWBIMPHZOXJGRX-GFCCVEGCSA-N -1 3 382.317 3.007 20 0 GGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)c(F)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000826503882 607873707 /nfs/dbraw/zinc/87/37/07/607873707.db2.gz IWBIMPHZOXJGRX-GFCCVEGCSA-N -1 3 382.317 3.007 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1ccc(Br)cc1 ZINC000826243018 607874089 /nfs/dbraw/zinc/87/40/89/607874089.db2.gz QMJVYGLFCRZOTP-OAHLLOKOSA-N -1 3 389.253 3.358 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1cccc(Br)c1 ZINC000826242875 607874093 /nfs/dbraw/zinc/87/40/93/607874093.db2.gz KAVPGNNMAFAYFT-OAHLLOKOSA-N -1 3 389.253 3.358 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826504924 607874515 /nfs/dbraw/zinc/87/45/15/607874515.db2.gz IDYNOTXIFQOGAP-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826504924 607874516 /nfs/dbraw/zinc/87/45/16/607874516.db2.gz IDYNOTXIFQOGAP-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@H](COc1ccc(Br)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000826505356 607874551 /nfs/dbraw/zinc/87/45/51/607874551.db2.gz TXXGFAVHWQWJGI-CYBMUJFWSA-N -1 3 397.179 3.020 20 0 GGADHM O[C@H](COc1ccc(Br)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826505356 607874552 /nfs/dbraw/zinc/87/45/52/607874552.db2.gz TXXGFAVHWQWJGI-CYBMUJFWSA-N -1 3 397.179 3.020 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000826254928 607876079 /nfs/dbraw/zinc/87/60/79/607876079.db2.gz GBGIXKOXOBXETN-GUYCJALGSA-N -1 3 388.855 3.346 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1c(Cl)cccc1Cl ZINC000826255271 607876506 /nfs/dbraw/zinc/87/65/06/607876506.db2.gz QZPKUFPNZWGHPO-GFCCVEGCSA-N -1 3 395.246 3.301 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)COc1ccc2ccccc2c1 ZINC000826278823 607877286 /nfs/dbraw/zinc/87/72/86/607877286.db2.gz UYQKDYCABGQWFT-GOSISDBHSA-N -1 3 376.416 3.147 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)COc1ccc2ccccc2c1 ZINC000826278823 607877287 /nfs/dbraw/zinc/87/72/87/607877287.db2.gz UYQKDYCABGQWFT-GOSISDBHSA-N -1 3 376.416 3.147 20 0 GGADHM CCN(C(=O)[C@@H]1COc2ccccc2C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367555 607878661 /nfs/dbraw/zinc/87/86/61/607878661.db2.gz SNGKFPIMMYKACR-ZDUSSCGKSA-N -1 3 383.839 3.124 20 0 GGADHM CCN(C(=O)[C@@H]1COc2ccccc2C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367555 607878662 /nfs/dbraw/zinc/87/86/62/607878662.db2.gz SNGKFPIMMYKACR-ZDUSSCGKSA-N -1 3 383.839 3.124 20 0 GGADHM CCN(C(=O)Cc1ccc(C)c(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376928 607879073 /nfs/dbraw/zinc/87/90/73/607879073.db2.gz PXZZHZRTEPMGJL-UHFFFAOYSA-N -1 3 385.855 3.433 20 0 GGADHM CCN(C(=O)Cc1ccc(C)c(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376928 607879074 /nfs/dbraw/zinc/87/90/74/607879074.db2.gz PXZZHZRTEPMGJL-UHFFFAOYSA-N -1 3 385.855 3.433 20 0 GGADHM CCOc1ccc(OCC)c(NCc2cccc(C(=O)OC)c2-c2nnn[n-]2)c1 ZINC000825643792 607879641 /nfs/dbraw/zinc/87/96/41/607879641.db2.gz VHIVBPXHVDLBBT-UHFFFAOYSA-N -1 3 397.435 3.063 20 0 GGADHM CCOc1ccc(OCC)c(NCc2cccc(C(=O)OC)c2-c2nn[n-]n2)c1 ZINC000825643792 607879642 /nfs/dbraw/zinc/87/96/42/607879642.db2.gz VHIVBPXHVDLBBT-UHFFFAOYSA-N -1 3 397.435 3.063 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1=C(C)OCCC1 ZINC000824853152 607881676 /nfs/dbraw/zinc/88/16/76/607881676.db2.gz XDSUCYKYYQACGZ-UHFFFAOYSA-N -1 3 392.419 3.385 20 0 GGADHM CC(C)CN(C(=O)c1csc([C@@H]2CCCO2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255637 607889383 /nfs/dbraw/zinc/88/93/83/607889383.db2.gz QZAZCFOLIMFQKU-INIZCTEOSA-N -1 3 398.492 3.478 20 0 GGADHM CC(C)CN(C(=O)c1csc([C@@H]2CCCO2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255637 607889384 /nfs/dbraw/zinc/88/93/84/607889384.db2.gz QZAZCFOLIMFQKU-INIZCTEOSA-N -1 3 398.492 3.478 20 0 GGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000826424253 607892448 /nfs/dbraw/zinc/89/24/48/607892448.db2.gz CNBPAISBPAJESI-OAHLLOKOSA-N -1 3 391.262 3.339 20 0 GGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000826424253 607892449 /nfs/dbraw/zinc/89/24/49/607892449.db2.gz CNBPAISBPAJESI-OAHLLOKOSA-N -1 3 391.262 3.339 20 0 GGADHM C[C@](O)(CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000824671097 607894666 /nfs/dbraw/zinc/89/46/66/607894666.db2.gz XAFPBKHURGNROK-FQEVSTJZSA-N -1 3 379.420 3.149 20 0 GGADHM C[C@](O)(CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000824671097 607894667 /nfs/dbraw/zinc/89/46/67/607894667.db2.gz XAFPBKHURGNROK-FQEVSTJZSA-N -1 3 379.420 3.149 20 0 GGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824662175 607903052 /nfs/dbraw/zinc/90/30/52/607903052.db2.gz FDGZZVWPKONOOC-IQSLBTHBSA-N -1 3 396.398 3.191 20 0 GGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824662175 607903053 /nfs/dbraw/zinc/90/30/53/607903053.db2.gz FDGZZVWPKONOOC-IQSLBTHBSA-N -1 3 396.398 3.191 20 0 GGADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000826329339 607904322 /nfs/dbraw/zinc/90/43/22/607904322.db2.gz ZBXCJDBWPNNJQQ-AWEZNQCLSA-N -1 3 377.427 3.333 20 0 GGADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000826329339 607904323 /nfs/dbraw/zinc/90/43/23/607904323.db2.gz ZBXCJDBWPNNJQQ-AWEZNQCLSA-N -1 3 377.427 3.333 20 0 GGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1c[nH]c2ccc(Br)cc21 ZINC000826466449 607909399 /nfs/dbraw/zinc/90/93/99/607909399.db2.gz DGASSOJGBKSLPA-UHFFFAOYSA-N -1 3 398.220 3.468 20 0 GGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1c[nH]c2ccc(Br)cc21 ZINC000826466449 607909400 /nfs/dbraw/zinc/90/94/00/607909400.db2.gz DGASSOJGBKSLPA-UHFFFAOYSA-N -1 3 398.220 3.468 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000824333836 607911845 /nfs/dbraw/zinc/91/18/45/607911845.db2.gz NSGSTOGBEQVESR-UHFFFAOYSA-N -1 3 398.442 3.135 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000824333836 607911846 /nfs/dbraw/zinc/91/18/46/607911846.db2.gz NSGSTOGBEQVESR-UHFFFAOYSA-N -1 3 398.442 3.135 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823942343 607916353 /nfs/dbraw/zinc/91/63/53/607916353.db2.gz BNJIPZUJZXVFJY-FMIVXFBMSA-N -1 3 397.822 3.105 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823942343 607916354 /nfs/dbraw/zinc/91/63/54/607916354.db2.gz BNJIPZUJZXVFJY-FMIVXFBMSA-N -1 3 397.822 3.105 20 0 GGADHM CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000824029252 607917701 /nfs/dbraw/zinc/91/77/01/607917701.db2.gz IAFFAIMWDLZNMW-UHFFFAOYSA-N -1 3 390.447 3.010 20 0 GGADHM CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000824029252 607917702 /nfs/dbraw/zinc/91/77/02/607917702.db2.gz IAFFAIMWDLZNMW-UHFFFAOYSA-N -1 3 390.447 3.010 20 0 GGADHM CC(C)[C@@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824184932 607917828 /nfs/dbraw/zinc/91/78/28/607917828.db2.gz OHAVGABDUXHLIH-GOSISDBHSA-N -1 3 382.395 3.172 20 0 GGADHM CC(C)[C@@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824184932 607917829 /nfs/dbraw/zinc/91/78/29/607917829.db2.gz OHAVGABDUXHLIH-GOSISDBHSA-N -1 3 382.395 3.172 20 0 GGADHM CC1=CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000824853137 607926610 /nfs/dbraw/zinc/92/66/10/607926610.db2.gz WTYFBMFBIXNYSX-ZDUSSCGKSA-N -1 3 386.525 3.176 20 0 GGADHM CC1=CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000824853137 607926611 /nfs/dbraw/zinc/92/66/11/607926611.db2.gz WTYFBMFBIXNYSX-ZDUSSCGKSA-N -1 3 386.525 3.176 20 0 GGADHM CN(C(=O)c1csc([C@@H]2CCCO2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825833676 607927490 /nfs/dbraw/zinc/92/74/90/607927490.db2.gz KIFDDUQWCJUPPL-ZDUSSCGKSA-N -1 3 390.856 3.105 20 0 GGADHM CN(C(=O)c1csc([C@@H]2CCCO2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825833676 607927491 /nfs/dbraw/zinc/92/74/91/607927491.db2.gz KIFDDUQWCJUPPL-ZDUSSCGKSA-N -1 3 390.856 3.105 20 0 GGADHM CC(C)CSCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824274035 607927717 /nfs/dbraw/zinc/92/77/17/607927717.db2.gz BNXCIFGRORQLOH-UHFFFAOYSA-N -1 3 388.541 3.320 20 0 GGADHM CC(C)CSCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824274035 607927718 /nfs/dbraw/zinc/92/77/18/607927718.db2.gz BNXCIFGRORQLOH-UHFFFAOYSA-N -1 3 388.541 3.320 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(Br)c(C)c1 ZINC000826174487 607931124 /nfs/dbraw/zinc/93/11/24/607931124.db2.gz YUIHKCWHXNLWEZ-UHFFFAOYSA-N -1 3 389.209 3.165 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(Br)c(C)c1 ZINC000826174487 607931125 /nfs/dbraw/zinc/93/11/25/607931125.db2.gz YUIHKCWHXNLWEZ-UHFFFAOYSA-N -1 3 389.209 3.165 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ncc(Br)s1 ZINC000824528512 607932405 /nfs/dbraw/zinc/93/24/05/607932405.db2.gz ATLNTECQLLMNQA-IUCAKERBSA-N -1 3 379.287 3.498 20 0 GGADHM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826295346 607940314 /nfs/dbraw/zinc/94/03/14/607940314.db2.gz CZNLFVQRYWAREW-CYBMUJFWSA-N -1 3 387.447 3.365 20 0 GGADHM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826295346 607940315 /nfs/dbraw/zinc/94/03/15/607940315.db2.gz CZNLFVQRYWAREW-CYBMUJFWSA-N -1 3 387.447 3.365 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000826255183 607941655 /nfs/dbraw/zinc/94/16/55/607941655.db2.gz OTRKTAQMGCWPPZ-MSOLQXFVSA-N -1 3 393.447 3.001 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000826255183 607941656 /nfs/dbraw/zinc/94/16/56/607941656.db2.gz OTRKTAQMGCWPPZ-MSOLQXFVSA-N -1 3 393.447 3.001 20 0 GGADHM CCCCN(C)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825281436 607946254 /nfs/dbraw/zinc/94/62/54/607946254.db2.gz FJVBEZWGAIQXQF-UHFFFAOYSA-N -1 3 376.464 3.306 20 0 GGADHM CCCCN(C)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825281436 607946255 /nfs/dbraw/zinc/94/62/55/607946255.db2.gz FJVBEZWGAIQXQF-UHFFFAOYSA-N -1 3 376.464 3.306 20 0 GGADHM COc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1OCC(C)C ZINC000826176731 607947745 /nfs/dbraw/zinc/94/77/45/607947745.db2.gz BDULPJLKHVMDAU-UHFFFAOYSA-N -1 3 393.447 3.113 20 0 GGADHM COc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1OCC(C)C ZINC000826176731 607947746 /nfs/dbraw/zinc/94/77/46/607947746.db2.gz BDULPJLKHVMDAU-UHFFFAOYSA-N -1 3 393.447 3.113 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826212154 607948757 /nfs/dbraw/zinc/94/87/57/607948757.db2.gz IATKDNXPYBUFGH-INIZCTEOSA-N -1 3 389.459 3.275 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826212154 607948758 /nfs/dbraw/zinc/94/87/58/607948758.db2.gz IATKDNXPYBUFGH-INIZCTEOSA-N -1 3 389.459 3.275 20 0 GGADHM Cc1nc(C2CCCC2)sc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826324410 607948999 /nfs/dbraw/zinc/94/89/99/607948999.db2.gz POSABVJIRXPZNC-UHFFFAOYSA-N -1 3 380.477 3.492 20 0 GGADHM Cc1nc(C2CCCC2)sc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826324410 607949000 /nfs/dbraw/zinc/94/90/00/607949000.db2.gz POSABVJIRXPZNC-UHFFFAOYSA-N -1 3 380.477 3.492 20 0 GGADHM C[C@H](CSc1ccc(F)cc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824449300 607952299 /nfs/dbraw/zinc/95/22/99/607952299.db2.gz NMMDVSYKTFJXRQ-GFCCVEGCSA-N -1 3 383.452 3.323 20 0 GGADHM C[C@H](CSc1ccc(F)cc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824449300 607952300 /nfs/dbraw/zinc/95/23/00/607952300.db2.gz NMMDVSYKTFJXRQ-GFCCVEGCSA-N -1 3 383.452 3.323 20 0 GGADHM O=C(c1csc(-c2ccccc2F)n1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474991 607953659 /nfs/dbraw/zinc/95/36/59/607953659.db2.gz NRHFVYDHXGWRQT-UHFFFAOYSA-N -1 3 392.419 3.332 20 0 GGADHM O=C(c1csc(-c2ccccc2F)n1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474991 607953660 /nfs/dbraw/zinc/95/36/60/607953660.db2.gz NRHFVYDHXGWRQT-UHFFFAOYSA-N -1 3 392.419 3.332 20 0 GGADHM Cc1ccc(C)c(C(=O)CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826284348 607953925 /nfs/dbraw/zinc/95/39/25/607953925.db2.gz QUFXPWJHWONKSV-UHFFFAOYSA-N -1 3 375.432 3.036 20 0 GGADHM Cc1ccc(C)c(C(=O)CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826284348 607953926 /nfs/dbraw/zinc/95/39/26/607953926.db2.gz QUFXPWJHWONKSV-UHFFFAOYSA-N -1 3 375.432 3.036 20 0 GGADHM Cc1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c[nH]c1=O ZINC000826270641 607955900 /nfs/dbraw/zinc/95/59/00/607955900.db2.gz IZGAQYBUEOATJL-UHFFFAOYSA-N -1 3 387.403 3.272 20 0 GGADHM CCOC(=O)CN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H](C)c1ccccc1 ZINC000825512008 607957492 /nfs/dbraw/zinc/95/74/92/607957492.db2.gz OYJUJOLCUCZXQM-AWEZNQCLSA-N -1 3 383.427 3.132 20 0 GGADHM CCOC(=O)CN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H](C)c1ccccc1 ZINC000825512008 607957493 /nfs/dbraw/zinc/95/74/93/607957493.db2.gz OYJUJOLCUCZXQM-AWEZNQCLSA-N -1 3 383.427 3.132 20 0 GGADHM CCc1c(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825694110 607960801 /nfs/dbraw/zinc/96/08/01/607960801.db2.gz KIUHMGUQPVGUHH-ZDUSSCGKSA-N -1 3 382.472 3.164 20 0 GGADHM CCc1c(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825694110 607960802 /nfs/dbraw/zinc/96/08/02/607960802.db2.gz KIUHMGUQPVGUHH-ZDUSSCGKSA-N -1 3 382.472 3.164 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826470164 607962046 /nfs/dbraw/zinc/96/20/46/607962046.db2.gz GAZZQMNFUWFFFL-UHFFFAOYSA-N -1 3 397.438 3.366 20 0 GGADHM O=C(C=Cc1ccnc(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826402762 607962736 /nfs/dbraw/zinc/96/27/36/607962736.db2.gz BHHBOARBYCQHQB-FPYGCLRLSA-N -1 3 380.839 3.120 20 0 GGADHM O=C(C=Cc1ccnc(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826402762 607962737 /nfs/dbraw/zinc/96/27/37/607962737.db2.gz BHHBOARBYCQHQB-FPYGCLRLSA-N -1 3 380.839 3.120 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1Br ZINC000826260609 607963396 /nfs/dbraw/zinc/96/33/96/607963396.db2.gz WSUYJYQILQUZHT-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1Br ZINC000826260609 607963397 /nfs/dbraw/zinc/96/33/97/607963397.db2.gz WSUYJYQILQUZHT-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CCN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825368004 607963823 /nfs/dbraw/zinc/96/38/23/607963823.db2.gz ZGVUCHHGOBBQSH-FZKQIMNGSA-N -1 3 383.427 3.039 20 0 GGADHM CCN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825368004 607963824 /nfs/dbraw/zinc/96/38/24/607963824.db2.gz ZGVUCHHGOBBQSH-FZKQIMNGSA-N -1 3 383.427 3.039 20 0 GGADHM O=C(N[C@@H]1COc2ccccc21)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826433150 607964302 /nfs/dbraw/zinc/96/43/02/607964302.db2.gz WRJPUMXTWAIHTF-GFCCVEGCSA-N -1 3 376.203 3.037 20 0 GGADHM O=C(N[C@@H]1COc2ccccc21)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826433150 607964303 /nfs/dbraw/zinc/96/43/03/607964303.db2.gz WRJPUMXTWAIHTF-GFCCVEGCSA-N -1 3 376.203 3.037 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826505854 607969982 /nfs/dbraw/zinc/96/99/82/607969982.db2.gz HFOOSHUJMNRIQZ-BZNIZROVSA-N -1 3 377.782 3.111 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826505854 607969983 /nfs/dbraw/zinc/96/99/83/607969983.db2.gz HFOOSHUJMNRIQZ-BZNIZROVSA-N -1 3 377.782 3.111 20 0 GGADHM O=Cc1cc(Cl)c(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826483848 607973762 /nfs/dbraw/zinc/97/37/62/607973762.db2.gz CALRNNBXAFVCAH-UHFFFAOYSA-N -1 3 392.202 3.004 20 0 GGADHM O=Cc1cc(Cl)c(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826483848 607973763 /nfs/dbraw/zinc/97/37/63/607973763.db2.gz CALRNNBXAFVCAH-UHFFFAOYSA-N -1 3 392.202 3.004 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)cs2)n1C ZINC000826273698 607977620 /nfs/dbraw/zinc/97/76/20/607977620.db2.gz QBXVGSURTLNHGM-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)cs2)n1C ZINC000826273698 607977621 /nfs/dbraw/zinc/97/76/21/607977621.db2.gz QBXVGSURTLNHGM-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000825621466 607978403 /nfs/dbraw/zinc/97/84/03/607978403.db2.gz ULHKWGUFRGTLEP-ZDUSSCGKSA-N -1 3 381.436 3.091 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000825621466 607978404 /nfs/dbraw/zinc/97/84/04/607978404.db2.gz ULHKWGUFRGTLEP-ZDUSSCGKSA-N -1 3 381.436 3.091 20 0 GGADHM C[C@@H](NC(=O)N1Cc2ccccc2C(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489867 607979231 /nfs/dbraw/zinc/97/92/31/607979231.db2.gz NCIZTFGYODNJQV-CQSZACIVSA-N -1 3 376.464 3.431 20 0 GGADHM C[C@@H](NC(=O)N1Cc2ccccc2C(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489867 607979232 /nfs/dbraw/zinc/97/92/32/607979232.db2.gz NCIZTFGYODNJQV-CQSZACIVSA-N -1 3 376.464 3.431 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823942751 607979838 /nfs/dbraw/zinc/97/98/38/607979838.db2.gz IQLQITXKQBKEIK-BENRWUELSA-N -1 3 397.822 3.105 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823942751 607979839 /nfs/dbraw/zinc/97/98/39/607979839.db2.gz IQLQITXKQBKEIK-BENRWUELSA-N -1 3 397.822 3.105 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191280 607980408 /nfs/dbraw/zinc/98/04/08/607980408.db2.gz BNVRLEQHQWOYPP-GJZGRUSLSA-N -1 3 394.479 3.114 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191280 607980409 /nfs/dbraw/zinc/98/04/09/607980409.db2.gz BNVRLEQHQWOYPP-GJZGRUSLSA-N -1 3 394.479 3.114 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnco1 ZINC000826268571 607981864 /nfs/dbraw/zinc/98/18/64/607981864.db2.gz CISWNZPVDNVGLC-UHFFFAOYSA-N -1 3 378.367 3.149 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnco1 ZINC000826268571 607981865 /nfs/dbraw/zinc/98/18/65/607981865.db2.gz CISWNZPVDNVGLC-UHFFFAOYSA-N -1 3 378.367 3.149 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000826207105 607983310 /nfs/dbraw/zinc/98/33/10/607983310.db2.gz ADZRYDARNQWVKM-ZDUSSCGKSA-N -1 3 383.477 3.444 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000826207105 607983311 /nfs/dbraw/zinc/98/33/11/607983311.db2.gz ADZRYDARNQWVKM-ZDUSSCGKSA-N -1 3 383.477 3.444 20 0 GGADHM COc1ccc(CS[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1-c1nnn[n-]1 ZINC000826207260 607983619 /nfs/dbraw/zinc/98/36/19/607983619.db2.gz HGYJEPHATSBPPR-GOSISDBHSA-N -1 3 395.488 3.222 20 0 GGADHM COc1ccc(CS[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1-c1nn[n-]n1 ZINC000826207260 607983620 /nfs/dbraw/zinc/98/36/20/607983620.db2.gz HGYJEPHATSBPPR-GOSISDBHSA-N -1 3 395.488 3.222 20 0 GGADHM COc1ccc(CSCC(=O)Nc2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000826207325 607984163 /nfs/dbraw/zinc/98/41/63/607984163.db2.gz JXRZPROGKRHUJU-UHFFFAOYSA-N -1 3 391.403 3.025 20 0 GGADHM COc1ccc(CSCC(=O)Nc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000826207325 607984164 /nfs/dbraw/zinc/98/41/64/607984164.db2.gz JXRZPROGKRHUJU-UHFFFAOYSA-N -1 3 391.403 3.025 20 0 GGADHM COc1ccc(CSCC(=O)N2c3ccccc3C[C@H]2C)cc1-c1nnn[n-]1 ZINC000826207461 607984585 /nfs/dbraw/zinc/98/45/85/607984585.db2.gz OXCWKTPKZLFXCQ-CYBMUJFWSA-N -1 3 395.488 3.086 20 0 GGADHM COc1ccc(CSCC(=O)N2c3ccccc3C[C@H]2C)cc1-c1nn[n-]n1 ZINC000826207461 607984586 /nfs/dbraw/zinc/98/45/86/607984586.db2.gz OXCWKTPKZLFXCQ-CYBMUJFWSA-N -1 3 395.488 3.086 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826207530 607984606 /nfs/dbraw/zinc/98/46/06/607984606.db2.gz RUZAMQHBYDHEJE-AWEZNQCLSA-N -1 3 397.504 3.122 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826207530 607984607 /nfs/dbraw/zinc/98/46/07/607984607.db2.gz RUZAMQHBYDHEJE-AWEZNQCLSA-N -1 3 397.504 3.122 20 0 GGADHM Cc1ccn2cc(CNc3ccc(-c4nn[n-]n4)cc3Br)nc2c1 ZINC000826308533 607990037 /nfs/dbraw/zinc/99/00/37/607990037.db2.gz DUJGWINZFDTFQO-UHFFFAOYSA-N -1 3 384.241 3.197 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000826402048 607993844 /nfs/dbraw/zinc/99/38/44/607993844.db2.gz LZDXSKBNJRCWBX-JXMROGBWSA-N -1 3 390.428 3.348 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000826402048 607993845 /nfs/dbraw/zinc/99/38/45/607993845.db2.gz LZDXSKBNJRCWBX-JXMROGBWSA-N -1 3 390.428 3.348 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C=Cc2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000824324381 607995580 /nfs/dbraw/zinc/99/55/80/607995580.db2.gz NBXVOUFXRXCCOO-XBXARRHUSA-N -1 3 384.827 3.354 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C=Cc2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000824324381 607995581 /nfs/dbraw/zinc/99/55/81/607995581.db2.gz NBXVOUFXRXCCOO-XBXARRHUSA-N -1 3 384.827 3.354 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000824319574 607995927 /nfs/dbraw/zinc/99/59/27/607995927.db2.gz UZMLJUAQSVZDEK-SFHVURJKSA-N -1 3 393.451 3.322 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cncc2ccccc21 ZINC000826420652 608004050 /nfs/dbraw/zinc/00/40/50/608004050.db2.gz VWNNTDRWCTXDLN-UHFFFAOYSA-N -1 3 376.445 3.287 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cncc2ccccc21 ZINC000826420652 608004051 /nfs/dbraw/zinc/00/40/51/608004051.db2.gz VWNNTDRWCTXDLN-UHFFFAOYSA-N -1 3 376.445 3.287 20 0 GGADHM C[C@H](CO)CCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000824435127 608005357 /nfs/dbraw/zinc/00/53/57/608005357.db2.gz LVDBTHBYEJTDIP-AWEZNQCLSA-N -1 3 397.504 3.156 20 0 GGADHM C[C@H](CO)CCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000824435127 608005358 /nfs/dbraw/zinc/00/53/58/608005358.db2.gz LVDBTHBYEJTDIP-AWEZNQCLSA-N -1 3 397.504 3.156 20 0 GGADHM COc1ccc(C[C@@H](C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826191509 608007255 /nfs/dbraw/zinc/00/72/55/608007255.db2.gz IMIZESPIHRPAIC-CYBMUJFWSA-N -1 3 380.452 3.184 20 0 GGADHM COc1ccc(C[C@@H](C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826191509 608007256 /nfs/dbraw/zinc/00/72/56/608007256.db2.gz IMIZESPIHRPAIC-CYBMUJFWSA-N -1 3 380.452 3.184 20 0 GGADHM Cc1cc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262060 608009510 /nfs/dbraw/zinc/00/95/10/608009510.db2.gz CXEZAGIKLNZTCG-YJYMSZOUSA-N -1 3 395.438 3.349 20 0 GGADHM Cc1cc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262060 608009511 /nfs/dbraw/zinc/00/95/11/608009511.db2.gz CXEZAGIKLNZTCG-YJYMSZOUSA-N -1 3 395.438 3.349 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)CC[C@H]2CCCO2)CC1 ZINC000826254631 608012313 /nfs/dbraw/zinc/01/23/13/608012313.db2.gz UNRRBDSCWKGASS-LXPRWKDFSA-N -1 3 399.495 3.401 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](OCc2ccccn2)C1 ZINC000826368405 608016242 /nfs/dbraw/zinc/01/62/42/608016242.db2.gz OFEJGCWTAHSISP-AWEZNQCLSA-N -1 3 390.369 3.076 20 0 GGADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1nc(-c2ccccc2)no1 ZINC000824436250 608016885 /nfs/dbraw/zinc/01/68/85/608016885.db2.gz RDGCCZASFVWLMK-GFCCVEGCSA-N -1 3 388.435 3.016 20 0 GGADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1nc(-c2ccccc2)no1 ZINC000824436250 608016886 /nfs/dbraw/zinc/01/68/86/608016886.db2.gz RDGCCZASFVWLMK-GFCCVEGCSA-N -1 3 388.435 3.016 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000826029845 608022842 /nfs/dbraw/zinc/02/28/42/608022842.db2.gz XZDVSXYXJNENSD-IAGOWNOFSA-N -1 3 397.870 3.087 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826213193 608029253 /nfs/dbraw/zinc/02/92/53/608029253.db2.gz OCRKGCSSICPGJH-NSHDSACASA-N -1 3 399.838 3.058 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826213193 608029254 /nfs/dbraw/zinc/02/92/54/608029254.db2.gz OCRKGCSSICPGJH-NSHDSACASA-N -1 3 399.838 3.058 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000826421994 608031644 /nfs/dbraw/zinc/03/16/44/608031644.db2.gz IOYILORFERSQAF-UHFFFAOYSA-N -1 3 383.402 3.273 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000826421994 608031645 /nfs/dbraw/zinc/03/16/45/608031645.db2.gz IOYILORFERSQAF-UHFFFAOYSA-N -1 3 383.402 3.273 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000826418937 608031690 /nfs/dbraw/zinc/03/16/90/608031690.db2.gz CGIBLWVWLADTDE-UHFFFAOYSA-N -1 3 399.401 3.109 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000826418937 608031691 /nfs/dbraw/zinc/03/16/91/608031691.db2.gz CGIBLWVWLADTDE-UHFFFAOYSA-N -1 3 399.401 3.109 20 0 GGADHM Cc1c(NC(=O)NC2(CCOCc3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000826241409 608032039 /nfs/dbraw/zinc/03/20/39/608032039.db2.gz CHHUGSVGHGDPQS-UHFFFAOYSA-N -1 3 392.463 3.436 20 0 GGADHM Cc1c(NC(=O)NC2(CCOCc3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000826241409 608032040 /nfs/dbraw/zinc/03/20/40/608032040.db2.gz CHHUGSVGHGDPQS-UHFFFAOYSA-N -1 3 392.463 3.436 20 0 GGADHM COc1ccc2c(c1)OC[C@H]2CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826213454 608040017 /nfs/dbraw/zinc/04/00/17/608040017.db2.gz XEBMQIZIHAUNGQ-SWLSCSKDSA-N -1 3 380.404 3.046 20 0 GGADHM COc1ccc2c(c1)OC[C@H]2CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826213454 608040018 /nfs/dbraw/zinc/04/00/18/608040018.db2.gz XEBMQIZIHAUNGQ-SWLSCSKDSA-N -1 3 380.404 3.046 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000826248024 608041595 /nfs/dbraw/zinc/04/15/95/608041595.db2.gz UCJGDEZRZCZMKY-MSOLQXFVSA-N -1 3 396.882 3.004 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000826248024 608041596 /nfs/dbraw/zinc/04/15/96/608041596.db2.gz UCJGDEZRZCZMKY-MSOLQXFVSA-N -1 3 396.882 3.004 20 0 GGADHM Cc1cc(C)cc(NC(=S)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264099 608046432 /nfs/dbraw/zinc/04/64/32/608046432.db2.gz BXCFCTWOVVNIQF-GOSISDBHSA-N -1 3 394.504 3.254 20 0 GGADHM Cc1cc(C)cc(NC(=S)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264099 608046433 /nfs/dbraw/zinc/04/64/33/608046433.db2.gz BXCFCTWOVVNIQF-GOSISDBHSA-N -1 3 394.504 3.254 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1SCCS1 ZINC000826457233 608046796 /nfs/dbraw/zinc/04/67/96/608046796.db2.gz SCPOHWGBJCKDQG-UHFFFAOYSA-N -1 3 385.474 3.404 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1SCCS1 ZINC000826457233 608046797 /nfs/dbraw/zinc/04/67/97/608046797.db2.gz SCPOHWGBJCKDQG-UHFFFAOYSA-N -1 3 385.474 3.404 20 0 GGADHM FC(F)(F)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826367500 608047348 /nfs/dbraw/zinc/04/73/48/608047348.db2.gz AYIAANLEJIYXSD-VIFPVBQESA-N -1 3 376.180 3.408 20 0 GGADHM CN1CCN(c2ccc(-c3nn[n-]n3)cc2Br)Cc2ccccc21 ZINC000826038873 608049199 /nfs/dbraw/zinc/04/91/99/608049199.db2.gz ZPWFLFOAXIOAIL-UHFFFAOYSA-N -1 3 385.269 3.086 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000823827193 608050015 /nfs/dbraw/zinc/05/00/15/608050015.db2.gz WYIKJUDKWJNFAU-CYBMUJFWSA-N -1 3 385.269 3.320 20 0 GGADHM CCc1nn(C)c(CC)c1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000825760371 608051475 /nfs/dbraw/zinc/05/14/75/608051475.db2.gz WJTVSWBEWRFMDN-UHFFFAOYSA-N -1 3 390.289 3.100 20 0 GGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(F)cc1 ZINC000824670420 608051654 /nfs/dbraw/zinc/05/16/54/608051654.db2.gz OFVXLSPZPKWCJI-MRXNPFEDSA-N -1 3 392.232 3.088 20 0 GGADHM Clc1ccc2c(c1)ncnc2N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826352660 608051905 /nfs/dbraw/zinc/05/19/05/608051905.db2.gz JKGYLEJVSTZSBJ-KRWDZBQOSA-N -1 3 393.838 3.041 20 0 GGADHM Clc1ccc2c(c1)ncnc2N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826352660 608051906 /nfs/dbraw/zinc/05/19/06/608051906.db2.gz JKGYLEJVSTZSBJ-KRWDZBQOSA-N -1 3 393.838 3.041 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(C)cc(C)cc1C ZINC000826158299 608053904 /nfs/dbraw/zinc/05/39/04/608053904.db2.gz JKKKJSUKALOABM-UHFFFAOYSA-N -1 3 379.464 3.081 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(C)cc(C)cc1C ZINC000826158299 608053905 /nfs/dbraw/zinc/05/39/05/608053905.db2.gz JKKKJSUKALOABM-UHFFFAOYSA-N -1 3 379.464 3.081 20 0 GGADHM Fc1ccc(Br)c(CNCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826373611 608055291 /nfs/dbraw/zinc/05/52/91/608055291.db2.gz SRDQBUQEIUCPQL-UHFFFAOYSA-N -1 3 380.196 3.197 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CSCC(F)(F)F)c2-c2nnn[n-]2)C1 ZINC000824966416 608059067 /nfs/dbraw/zinc/05/90/67/608059067.db2.gz ASFRJQNLOMMKBW-ZETCQYMHSA-N -1 3 391.444 3.287 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CSCC(F)(F)F)c2-c2nn[n-]n2)C1 ZINC000824966416 608059068 /nfs/dbraw/zinc/05/90/68/608059068.db2.gz ASFRJQNLOMMKBW-ZETCQYMHSA-N -1 3 391.444 3.287 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000824293589 608059760 /nfs/dbraw/zinc/05/97/60/608059760.db2.gz SLDNOJQYSBCBHC-UHFFFAOYSA-N -1 3 393.422 3.219 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000824293589 608059761 /nfs/dbraw/zinc/05/97/61/608059761.db2.gz SLDNOJQYSBCBHC-UHFFFAOYSA-N -1 3 393.422 3.219 20 0 GGADHM O=C(COC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000826462672 608060011 /nfs/dbraw/zinc/06/00/11/608060011.db2.gz FFAXSEOXHHCDGA-UHFFFAOYSA-N -1 3 398.806 3.448 20 0 GGADHM O=C(COC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000826462672 608060012 /nfs/dbraw/zinc/06/00/12/608060012.db2.gz FFAXSEOXHHCDGA-UHFFFAOYSA-N -1 3 398.806 3.448 20 0 GGADHM CC[C@H](NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C1CCCCC1 ZINC000825134816 608062573 /nfs/dbraw/zinc/06/25/73/608062573.db2.gz XCQJWOFZQPSPGV-OALUTQOASA-N -1 3 398.511 3.309 20 0 GGADHM CC[C@H](NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C1CCCCC1 ZINC000825134816 608062574 /nfs/dbraw/zinc/06/25/74/608062574.db2.gz XCQJWOFZQPSPGV-OALUTQOASA-N -1 3 398.511 3.309 20 0 GGADHM O=C(NCCCCC1CCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826436120 608064762 /nfs/dbraw/zinc/06/47/62/608064762.db2.gz IOUBLNXLHWGNLF-IBGZPJMESA-N -1 3 398.511 3.310 20 0 GGADHM O=C(NCCCCC1CCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826436120 608064763 /nfs/dbraw/zinc/06/47/63/608064763.db2.gz IOUBLNXLHWGNLF-IBGZPJMESA-N -1 3 398.511 3.310 20 0 GGADHM CSc1ccc(OCCN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826230787 608068934 /nfs/dbraw/zinc/06/89/34/608068934.db2.gz KAOIGBIGNCBSMZ-IBGZPJMESA-N -1 3 397.504 3.041 20 0 GGADHM CSc1ccc(OCCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826230787 608068935 /nfs/dbraw/zinc/06/89/35/608068935.db2.gz KAOIGBIGNCBSMZ-IBGZPJMESA-N -1 3 397.504 3.041 20 0 GGADHM Cc1cccc(C)c1OCCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826296938 608070249 /nfs/dbraw/zinc/07/02/49/608070249.db2.gz PEGWEKCBTODFOV-FQEVSTJZSA-N -1 3 393.491 3.326 20 0 GGADHM Fc1cccc(Cl)c1CCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826377296 608070605 /nfs/dbraw/zinc/07/06/05/608070605.db2.gz MDELLMFYVJPXPG-GOSISDBHSA-N -1 3 387.846 3.275 20 0 GGADHM Fc1cccc(Cl)c1CCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826377296 608070606 /nfs/dbraw/zinc/07/06/06/608070606.db2.gz MDELLMFYVJPXPG-GOSISDBHSA-N -1 3 387.846 3.275 20 0 GGADHM C[C@@]1(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)CCOC1 ZINC000824837585 608072126 /nfs/dbraw/zinc/07/21/26/608072126.db2.gz GVUQQPOGBGZLDP-LJQANCHMSA-N -1 3 399.838 3.221 20 0 GGADHM C[C@@]1(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC000824837585 608072127 /nfs/dbraw/zinc/07/21/27/608072127.db2.gz GVUQQPOGBGZLDP-LJQANCHMSA-N -1 3 399.838 3.221 20 0 GGADHM CCc1ccccc1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825723166 608072568 /nfs/dbraw/zinc/07/25/68/608072568.db2.gz SNEZYVGRDGCCIJ-SFHVURJKSA-N -1 3 378.436 3.035 20 0 GGADHM CCc1ccccc1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825723166 608072569 /nfs/dbraw/zinc/07/25/69/608072569.db2.gz SNEZYVGRDGCCIJ-SFHVURJKSA-N -1 3 378.436 3.035 20 0 GGADHM C[C@H](C[C@H](O)c1ccco1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824392430 608073024 /nfs/dbraw/zinc/07/30/24/608073024.db2.gz NZTMNEXYVXAJAN-PELKAZGASA-N -1 3 396.234 3.009 20 0 GGADHM C[C@H](C[C@H](O)c1ccco1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824392430 608073025 /nfs/dbraw/zinc/07/30/25/608073025.db2.gz NZTMNEXYVXAJAN-PELKAZGASA-N -1 3 396.234 3.009 20 0 GGADHM O=C(N[C@@H](CCO)c1cccs1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826426257 608074259 /nfs/dbraw/zinc/07/42/59/608074259.db2.gz JDVMXOUXMMEWMV-NSHDSACASA-N -1 3 398.275 3.089 20 0 GGADHM O=C(N[C@@H](CCO)c1cccs1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826426257 608074260 /nfs/dbraw/zinc/07/42/60/608074260.db2.gz JDVMXOUXMMEWMV-NSHDSACASA-N -1 3 398.275 3.089 20 0 GGADHM Cc1ncc(-c2ccccc2)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826329521 608078921 /nfs/dbraw/zinc/07/89/21/608078921.db2.gz GZBSACQWIBKDLQ-UHFFFAOYSA-N -1 3 385.431 3.288 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825114603 608081680 /nfs/dbraw/zinc/08/16/80/608081680.db2.gz OIZCKGWTMLCYJB-APWZRJJASA-N -1 3 383.496 3.373 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825114603 608081681 /nfs/dbraw/zinc/08/16/81/608081681.db2.gz OIZCKGWTMLCYJB-APWZRJJASA-N -1 3 383.496 3.373 20 0 GGADHM Cc1ccc(CCC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(C)c1 ZINC000826287492 608082850 /nfs/dbraw/zinc/08/28/50/608082850.db2.gz QTPBVSBOZQQGEO-HXUWFJFHSA-N -1 3 391.475 3.016 20 0 GGADHM Cc1ccc(CCC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(C)c1 ZINC000826287492 608082851 /nfs/dbraw/zinc/08/28/51/608082851.db2.gz QTPBVSBOZQQGEO-HXUWFJFHSA-N -1 3 391.475 3.016 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825126419 608084044 /nfs/dbraw/zinc/08/40/44/608084044.db2.gz HYQVVADIDTUGJG-PXNSSMCTSA-N -1 3 391.475 3.036 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825126419 608084045 /nfs/dbraw/zinc/08/40/45/608084045.db2.gz HYQVVADIDTUGJG-PXNSSMCTSA-N -1 3 391.475 3.036 20 0 GGADHM CC(=CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccc(F)cc1 ZINC000823942719 608084305 /nfs/dbraw/zinc/08/43/05/608084305.db2.gz HOIOOYVFFDPVGD-FIIODCPWSA-N -1 3 393.422 3.009 20 0 GGADHM CC(=CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccc(F)cc1 ZINC000823942719 608084306 /nfs/dbraw/zinc/08/43/06/608084306.db2.gz HOIOOYVFFDPVGD-FIIODCPWSA-N -1 3 393.422 3.009 20 0 GGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826399477 608084320 /nfs/dbraw/zinc/08/43/20/608084320.db2.gz WVJHXMJBCFXHSP-XAMWDVODSA-N -1 3 395.507 3.373 20 0 GGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826399477 608084321 /nfs/dbraw/zinc/08/43/21/608084321.db2.gz WVJHXMJBCFXHSP-XAMWDVODSA-N -1 3 395.507 3.373 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824347997 608084481 /nfs/dbraw/zinc/08/44/81/608084481.db2.gz WEQOHOZLARPUDE-LJQANCHMSA-N -1 3 377.448 3.204 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824347997 608084482 /nfs/dbraw/zinc/08/44/82/608084482.db2.gz WEQOHOZLARPUDE-LJQANCHMSA-N -1 3 377.448 3.204 20 0 GGADHM CCc1ccc([C@H](C)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825705090 608084917 /nfs/dbraw/zinc/08/49/17/608084917.db2.gz VXAXJCRGXJTJQR-MGPUTAFESA-N -1 3 391.475 3.133 20 0 GGADHM CCc1ccc([C@H](C)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825705090 608084918 /nfs/dbraw/zinc/08/49/18/608084918.db2.gz VXAXJCRGXJTJQR-MGPUTAFESA-N -1 3 391.475 3.133 20 0 GGADHM CC(=CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1cccc(F)c1 ZINC000823943810 608085897 /nfs/dbraw/zinc/08/58/97/608085897.db2.gz UNBVJSZMXJFGCY-LMICACPXSA-N -1 3 393.422 3.009 20 0 GGADHM CC(=CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1cccc(F)c1 ZINC000823943810 608085898 /nfs/dbraw/zinc/08/58/98/608085898.db2.gz UNBVJSZMXJFGCY-LMICACPXSA-N -1 3 393.422 3.009 20 0 GGADHM CC(C)(C)c1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824135270 608085990 /nfs/dbraw/zinc/08/59/90/608085990.db2.gz DCKPTKMNBZNUJZ-IBGZPJMESA-N -1 3 391.475 3.378 20 0 GGADHM CC(C)(C)c1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824135270 608085991 /nfs/dbraw/zinc/08/59/91/608085991.db2.gz DCKPTKMNBZNUJZ-IBGZPJMESA-N -1 3 391.475 3.378 20 0 GGADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802338 608086728 /nfs/dbraw/zinc/08/67/28/608086728.db2.gz LYNCUUPJCZGSTN-MSOLQXFVSA-N -1 3 383.496 3.373 20 0 GGADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802338 608086729 /nfs/dbraw/zinc/08/67/29/608086729.db2.gz LYNCUUPJCZGSTN-MSOLQXFVSA-N -1 3 383.496 3.373 20 0 GGADHM O=C(C/C=C/c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826404948 608089923 /nfs/dbraw/zinc/08/99/23/608089923.db2.gz QXMJDCSFJYJCQG-UJXFUWLCSA-N -1 3 393.422 3.009 20 0 GGADHM O=C(C/C=C/c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826404948 608089924 /nfs/dbraw/zinc/08/99/24/608089924.db2.gz QXMJDCSFJYJCQG-UJXFUWLCSA-N -1 3 393.422 3.009 20 0 GGADHM CC1(C)CCC(=CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000824795657 608090328 /nfs/dbraw/zinc/09/03/28/608090328.db2.gz BILXUOUYDHWFAA-GOSISDBHSA-N -1 3 381.480 3.293 20 0 GGADHM CC1(C)CCC(=CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000824795657 608090329 /nfs/dbraw/zinc/09/03/29/608090329.db2.gz BILXUOUYDHWFAA-GOSISDBHSA-N -1 3 381.480 3.293 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000826472127 608090884 /nfs/dbraw/zinc/09/08/84/608090884.db2.gz YKKXDOPSJMWJOM-HXUWFJFHSA-N -1 3 384.443 3.177 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000826472127 608090885 /nfs/dbraw/zinc/09/08/85/608090885.db2.gz YKKXDOPSJMWJOM-HXUWFJFHSA-N -1 3 384.443 3.177 20 0 GGADHM O[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826504425 608100036 /nfs/dbraw/zinc/10/00/36/608100036.db2.gz VTRXFHRBQZMSNJ-MRXNPFEDSA-N -1 3 384.802 3.353 20 0 GGADHM O[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826504425 608100037 /nfs/dbraw/zinc/10/00/37/608100037.db2.gz VTRXFHRBQZMSNJ-MRXNPFEDSA-N -1 3 384.802 3.353 20 0 GGADHM CCCCc1ccc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000825296699 608100910 /nfs/dbraw/zinc/10/09/10/608100910.db2.gz SUAXWWMBOUVEPA-UHFFFAOYSA-N -1 3 385.449 3.066 20 0 GGADHM CCCCc1ccc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000825296699 608100911 /nfs/dbraw/zinc/10/09/11/608100911.db2.gz SUAXWWMBOUVEPA-UHFFFAOYSA-N -1 3 385.449 3.066 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000824744755 608102342 /nfs/dbraw/zinc/10/23/42/608102342.db2.gz FNDOZHQLFVMMPB-NSHDSACASA-N -1 3 389.818 3.085 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000824744755 608102343 /nfs/dbraw/zinc/10/23/43/608102343.db2.gz FNDOZHQLFVMMPB-NSHDSACASA-N -1 3 389.818 3.085 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000824727535 608102401 /nfs/dbraw/zinc/10/24/01/608102401.db2.gz AZIUDSIQIGZJIV-LBPRGKRZSA-N -1 3 399.401 3.108 20 0 GGADHM CC[C@H](C)n1ncc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825083108 608102693 /nfs/dbraw/zinc/10/26/93/608102693.db2.gz XKMPHHRPSJXRLG-QWHCGFSZSA-N -1 3 395.467 3.318 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(Cl)c(F)c1 ZINC000825965686 608105698 /nfs/dbraw/zinc/10/56/98/608105698.db2.gz CBTXYUKOYHPCLD-UHFFFAOYSA-N -1 3 399.817 3.341 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccc(Cl)c(F)c1 ZINC000825965686 608105699 /nfs/dbraw/zinc/10/56/99/608105699.db2.gz CBTXYUKOYHPCLD-UHFFFAOYSA-N -1 3 399.817 3.341 20 0 GGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824968042 608106462 /nfs/dbraw/zinc/10/64/62/608106462.db2.gz OSWWVLJYUDKXBT-SGTLLEGYSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824968042 608106463 /nfs/dbraw/zinc/10/64/63/608106463.db2.gz OSWWVLJYUDKXBT-SGTLLEGYSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824968044 608106540 /nfs/dbraw/zinc/10/65/40/608106540.db2.gz OSWWVLJYUDKXBT-XIKOKIGWSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824968044 608106541 /nfs/dbraw/zinc/10/65/41/608106541.db2.gz OSWWVLJYUDKXBT-XIKOKIGWSA-N -1 3 380.427 3.129 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)N[C@@H](C)c1cccs1 ZINC000825796554 608109427 /nfs/dbraw/zinc/10/94/27/608109427.db2.gz HGAZCDDSKLBBFJ-JTQLQIEISA-N -1 3 398.521 3.345 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)N[C@@H](C)c1cccs1 ZINC000825796554 608109428 /nfs/dbraw/zinc/10/94/28/608109428.db2.gz HGAZCDDSKLBBFJ-JTQLQIEISA-N -1 3 398.521 3.345 20 0 GGADHM COc1cccnc1NCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826220941 608112280 /nfs/dbraw/zinc/11/22/80/608112280.db2.gz HNMQSWRQBFLMSA-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM COc1cccnc1NCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826220941 608112281 /nfs/dbraw/zinc/11/22/81/608112281.db2.gz HNMQSWRQBFLMSA-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)c(F)c(C)c2)cc1-c1nnn[n-]1 ZINC000825544614 608114448 /nfs/dbraw/zinc/11/44/48/608114448.db2.gz FRZWHIUQQRSMJI-UHFFFAOYSA-N -1 3 398.398 3.443 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)c(F)c(C)c2)cc1-c1nn[n-]n1 ZINC000825544614 608114449 /nfs/dbraw/zinc/11/44/49/608114449.db2.gz FRZWHIUQQRSMJI-UHFFFAOYSA-N -1 3 398.398 3.443 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000824746054 608115925 /nfs/dbraw/zinc/11/59/25/608115925.db2.gz VGCUIAIRVMJOKR-CYBMUJFWSA-N -1 3 397.866 3.135 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000824746054 608115926 /nfs/dbraw/zinc/11/59/26/608115926.db2.gz VGCUIAIRVMJOKR-CYBMUJFWSA-N -1 3 397.866 3.135 20 0 GGADHM C[C@H]1OCC[C@@H]1NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825018756 608116148 /nfs/dbraw/zinc/11/61/48/608116148.db2.gz ARRYZZHVEQQWTJ-ABAIWWIYSA-N -1 3 399.838 3.220 20 0 GGADHM C[C@H]1OCC[C@@H]1NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825018756 608116149 /nfs/dbraw/zinc/11/61/49/608116149.db2.gz ARRYZZHVEQQWTJ-ABAIWWIYSA-N -1 3 399.838 3.220 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2nccn2CCCc2ccccc2)n1 ZINC000826262871 608123854 /nfs/dbraw/zinc/12/38/54/608123854.db2.gz BHQSRNCBQIKGHO-UHFFFAOYSA-N -1 3 388.479 3.320 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2nccn2CCCc2ccccc2)n1 ZINC000826262871 608123855 /nfs/dbraw/zinc/12/38/55/608123855.db2.gz BHQSRNCBQIKGHO-UHFFFAOYSA-N -1 3 388.479 3.320 20 0 GGADHM Cc1ccc([C@@H]2CCN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826285883 608129778 /nfs/dbraw/zinc/12/97/78/608129778.db2.gz MLUOTWFLCDMCRR-LJQANCHMSA-N -1 3 393.516 3.424 20 0 GGADHM Cc1ccc([C@@H]2CCN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826285883 608129779 /nfs/dbraw/zinc/12/97/79/608129779.db2.gz MLUOTWFLCDMCRR-LJQANCHMSA-N -1 3 393.516 3.424 20 0 GGADHM Cc1ccc([C@@H]2CCN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826285916 608129990 /nfs/dbraw/zinc/12/99/90/608129990.db2.gz NOOUAAGIRSKLBL-QGZVFWFLSA-N -1 3 379.489 3.283 20 0 GGADHM Cc1ccc([C@@H]2CCN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826285916 608129991 /nfs/dbraw/zinc/12/99/91/608129991.db2.gz NOOUAAGIRSKLBL-QGZVFWFLSA-N -1 3 379.489 3.283 20 0 GGADHM Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826290535 608132411 /nfs/dbraw/zinc/13/24/11/608132411.db2.gz PKFIXQLAIHWTNO-NSHDSACASA-N -1 3 388.834 3.257 20 0 GGADHM Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000826290535 608132412 /nfs/dbraw/zinc/13/24/12/608132412.db2.gz PKFIXQLAIHWTNO-NSHDSACASA-N -1 3 388.834 3.257 20 0 GGADHM COc1ccc(C2(CNC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCC2)cc1 ZINC000826189990 608132549 /nfs/dbraw/zinc/13/25/49/608132549.db2.gz MAHPXJPZNAVFJM-UHFFFAOYSA-N -1 3 399.401 3.005 20 0 GGADHM COc1ccc(C2(CNC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCC2)cc1 ZINC000826189990 608132550 /nfs/dbraw/zinc/13/25/50/608132550.db2.gz MAHPXJPZNAVFJM-UHFFFAOYSA-N -1 3 399.401 3.005 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC[C@H](C)c1ccc(OC)cc1 ZINC000826162109 608135596 /nfs/dbraw/zinc/13/55/96/608135596.db2.gz NVZPNHOZOQRLMC-AWEZNQCLSA-N -1 3 383.452 3.116 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC[C@H](C)c1ccc(OC)cc1 ZINC000826162109 608135597 /nfs/dbraw/zinc/13/55/97/608135597.db2.gz NVZPNHOZOQRLMC-AWEZNQCLSA-N -1 3 383.452 3.116 20 0 GGADHM CC(=O)c1ccc(F)cc1NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000824024373 608139919 /nfs/dbraw/zinc/13/99/19/608139919.db2.gz BQVNGSXGWLEMND-GOSISDBHSA-N -1 3 397.410 3.251 20 0 GGADHM CC(=O)c1ccc(F)cc1NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000824024373 608139920 /nfs/dbraw/zinc/13/99/20/608139920.db2.gz BQVNGSXGWLEMND-GOSISDBHSA-N -1 3 397.410 3.251 20 0 GGADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000825015073 608141213 /nfs/dbraw/zinc/14/12/13/608141213.db2.gz ZPDBCXUGPYFGCQ-JTQLQIEISA-N -1 3 388.884 3.247 20 0 GGADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000825015073 608141214 /nfs/dbraw/zinc/14/12/14/608141214.db2.gz ZPDBCXUGPYFGCQ-JTQLQIEISA-N -1 3 388.884 3.247 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1nccnc1Sc1ccccc1 ZINC000826464949 608142271 /nfs/dbraw/zinc/14/22/71/608142271.db2.gz SOLPGZKDKQPMKH-UHFFFAOYSA-N -1 3 390.428 3.165 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1nccnc1Sc1ccccc1 ZINC000826464949 608142272 /nfs/dbraw/zinc/14/22/72/608142272.db2.gz SOLPGZKDKQPMKH-UHFFFAOYSA-N -1 3 390.428 3.165 20 0 GGADHM O=C(OCC[C@@H]1CCCCO1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826462537 608143777 /nfs/dbraw/zinc/14/37/77/608143777.db2.gz AKLYBOKGFUBDAF-HNNXBMFYSA-N -1 3 398.419 3.155 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000826263271 608144314 /nfs/dbraw/zinc/14/43/14/608144314.db2.gz SHTCOBXPIZNZNU-UHFFFAOYSA-N -1 3 388.541 3.255 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000826263271 608144315 /nfs/dbraw/zinc/14/43/15/608144315.db2.gz SHTCOBXPIZNZNU-UHFFFAOYSA-N -1 3 388.541 3.255 20 0 GGADHM O=S(=O)(CCC1CC1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826484891 608152952 /nfs/dbraw/zinc/15/29/52/608152952.db2.gz TWXVBUGUDDNDPC-UHFFFAOYSA-N -1 3 386.433 3.168 20 0 GGADHM O=S(=O)(CCC1CC1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826484891 608152953 /nfs/dbraw/zinc/15/29/53/608152953.db2.gz TWXVBUGUDDNDPC-UHFFFAOYSA-N -1 3 386.433 3.168 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435334 608154886 /nfs/dbraw/zinc/15/48/86/608154886.db2.gz UPEHJHCXHIBCPL-QGZVFWFLSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435334 608154888 /nfs/dbraw/zinc/15/48/88/608154888.db2.gz UPEHJHCXHIBCPL-QGZVFWFLSA-N -1 3 385.855 3.256 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000826271878 608156019 /nfs/dbraw/zinc/15/60/19/608156019.db2.gz LHKAMGLIPGEXGJ-CXAGYDPISA-N -1 3 379.420 3.331 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000826271878 608156020 /nfs/dbraw/zinc/15/60/20/608156020.db2.gz LHKAMGLIPGEXGJ-CXAGYDPISA-N -1 3 379.420 3.331 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1CCO[C@H]1C ZINC000826271916 608158754 /nfs/dbraw/zinc/15/87/54/608158754.db2.gz MUDCVMHJBWGQKK-KSSFIOAISA-N -1 3 393.447 3.118 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1CCO[C@H]1C ZINC000826271916 608158755 /nfs/dbraw/zinc/15/87/55/608158755.db2.gz MUDCVMHJBWGQKK-KSSFIOAISA-N -1 3 393.447 3.118 20 0 GGADHM Cc1c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cnn1C(C)C ZINC000826234030 608159065 /nfs/dbraw/zinc/15/90/65/608159065.db2.gz FIIUFDOWTSPTFW-UHFFFAOYSA-N -1 3 381.484 3.251 20 0 GGADHM Cc1c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cnn1C(C)C ZINC000826234030 608159066 /nfs/dbraw/zinc/15/90/66/608159066.db2.gz FIIUFDOWTSPTFW-UHFFFAOYSA-N -1 3 381.484 3.251 20 0 GGADHM Cc1c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cnn1C(C)C ZINC000826234930 608164352 /nfs/dbraw/zinc/16/43/52/608164352.db2.gz VCGHVCUFYPONME-UHFFFAOYSA-N -1 3 394.464 3.328 20 0 GGADHM Cc1c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cnn1C(C)C ZINC000826234930 608164353 /nfs/dbraw/zinc/16/43/53/608164353.db2.gz VCGHVCUFYPONME-UHFFFAOYSA-N -1 3 394.464 3.328 20 0 GGADHM Cc1nc(SCC(=O)N[C@H]2CC23CCCCC3)c(-c2nnn[n-]2)c(C)c1C ZINC000826327305 608165080 /nfs/dbraw/zinc/16/50/80/608165080.db2.gz BXAHLBOHBZGRSL-AWEZNQCLSA-N -1 3 386.525 3.118 20 0 GGADHM Cc1nc(SCC(=O)N[C@H]2CC23CCCCC3)c(-c2nn[n-]n2)c(C)c1C ZINC000826327305 608165083 /nfs/dbraw/zinc/16/50/83/608165083.db2.gz BXAHLBOHBZGRSL-AWEZNQCLSA-N -1 3 386.525 3.118 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826321411 608165502 /nfs/dbraw/zinc/16/55/02/608165502.db2.gz DJEFXJVKHKHJPG-AWEZNQCLSA-N -1 3 395.511 3.385 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826321411 608165503 /nfs/dbraw/zinc/16/55/03/608165503.db2.gz DJEFXJVKHKHJPG-AWEZNQCLSA-N -1 3 395.511 3.385 20 0 GGADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826232577 608167042 /nfs/dbraw/zinc/16/70/42/608167042.db2.gz YOQHPYYKRNFCJF-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000826232577 608167043 /nfs/dbraw/zinc/16/70/43/608167043.db2.gz YOQHPYYKRNFCJF-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC23CCCCC3)c1-c1nnn[n-]1 ZINC000826231170 608167905 /nfs/dbraw/zinc/16/79/05/608167905.db2.gz ADUUBUWWFUMHKR-AWEZNQCLSA-N -1 3 384.509 3.314 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000824114645 608170551 /nfs/dbraw/zinc/17/05/51/608170551.db2.gz YNCPFQMILXHENU-UHFFFAOYSA-N -1 3 389.412 3.275 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000824114645 608170553 /nfs/dbraw/zinc/17/05/53/608170553.db2.gz YNCPFQMILXHENU-UHFFFAOYSA-N -1 3 389.412 3.275 20 0 GGADHM Cc1cnc([C@@H](C)OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)o1 ZINC000826318086 608170746 /nfs/dbraw/zinc/17/07/46/608170746.db2.gz VNNURWVAVSIJQP-GFCCVEGCSA-N -1 3 392.375 3.268 20 0 GGADHM Cc1cnc([C@@H](C)OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)o1 ZINC000826318086 608170747 /nfs/dbraw/zinc/17/07/47/608170747.db2.gz VNNURWVAVSIJQP-GFCCVEGCSA-N -1 3 392.375 3.268 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC=Cc1ccc(F)cc1 ZINC000825787317 608173495 /nfs/dbraw/zinc/17/34/95/608173495.db2.gz BPQHKVQUVFIASO-ARJAWSKDSA-N -1 3 391.410 3.417 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC=Cc1ccc(F)cc1 ZINC000825787317 608173497 /nfs/dbraw/zinc/17/34/97/608173497.db2.gz BPQHKVQUVFIASO-ARJAWSKDSA-N -1 3 391.410 3.417 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)c(F)c(C)c1 ZINC000825792561 608173890 /nfs/dbraw/zinc/17/38/90/608173890.db2.gz ALIHTZVDXWQFON-UHFFFAOYSA-N -1 3 379.399 3.245 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)c(F)c(C)c1 ZINC000825792561 608173892 /nfs/dbraw/zinc/17/38/92/608173892.db2.gz ALIHTZVDXWQFON-UHFFFAOYSA-N -1 3 379.399 3.245 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1sc(C(C)C)nc1C ZINC000825796980 608175079 /nfs/dbraw/zinc/17/50/79/608175079.db2.gz SGNLPJLKLFGUAO-UHFFFAOYSA-N -1 3 396.480 3.377 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1sc(C(C)C)nc1C ZINC000825796980 608175080 /nfs/dbraw/zinc/17/50/80/608175080.db2.gz SGNLPJLKLFGUAO-UHFFFAOYSA-N -1 3 396.480 3.377 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(Cl)ccc1C ZINC000825793045 608178739 /nfs/dbraw/zinc/17/87/39/608178739.db2.gz KOHGNLSVYPHYNF-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(Cl)ccc1C ZINC000825793045 608178741 /nfs/dbraw/zinc/17/87/41/608178741.db2.gz KOHGNLSVYPHYNF-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCO[C@@H](C)CC(C)C ZINC000825789280 608179026 /nfs/dbraw/zinc/17/90/26/608179026.db2.gz YFOWTQIFFRGVSY-ZDUSSCGKSA-N -1 3 385.472 3.016 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCO[C@@H](C)CC(C)C ZINC000825789280 608179027 /nfs/dbraw/zinc/17/90/27/608179027.db2.gz YFOWTQIFFRGVSY-ZDUSSCGKSA-N -1 3 385.472 3.016 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(C)c1Cl ZINC000825796809 608179309 /nfs/dbraw/zinc/17/93/09/608179309.db2.gz OZKKPMVFZKLXHG-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(C)c1Cl ZINC000825796809 608179310 /nfs/dbraw/zinc/17/93/10/608179310.db2.gz OZKKPMVFZKLXHG-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721520 608181568 /nfs/dbraw/zinc/18/15/68/608181568.db2.gz AZUWNVDLISFNMG-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721520 608181570 /nfs/dbraw/zinc/18/15/70/608181570.db2.gz AZUWNVDLISFNMG-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM COc1ccc(C(C)(C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826187852 608184052 /nfs/dbraw/zinc/18/40/52/608184052.db2.gz GSOIICFIXQFXCW-CYBMUJFWSA-N -1 3 396.447 3.466 20 0 GGADHM COc1ccc(C(C)(C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826187852 608184053 /nfs/dbraw/zinc/18/40/53/608184053.db2.gz GSOIICFIXQFXCW-CYBMUJFWSA-N -1 3 396.447 3.466 20 0 GGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824450353 608184925 /nfs/dbraw/zinc/18/49/25/608184925.db2.gz VVTNGUVZMCGAJM-NWDGAFQWSA-N -1 3 388.374 3.259 20 0 GGADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824450353 608184927 /nfs/dbraw/zinc/18/49/27/608184927.db2.gz VVTNGUVZMCGAJM-NWDGAFQWSA-N -1 3 388.374 3.259 20 0 GGADHM Cc1ccsc1[C@H](CO)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826315478 608187860 /nfs/dbraw/zinc/18/78/60/608187860.db2.gz KVCCDOZLVKIOHE-NSHDSACASA-N -1 3 398.275 3.007 20 0 GGADHM Cc1ccsc1[C@H](CO)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826315478 608187861 /nfs/dbraw/zinc/18/78/61/608187861.db2.gz KVCCDOZLVKIOHE-NSHDSACASA-N -1 3 398.275 3.007 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825115439 608189774 /nfs/dbraw/zinc/18/97/74/608189774.db2.gz YTHJMQZHTYEDQW-HNNXBMFYSA-N -1 3 393.495 3.480 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825115439 608189776 /nfs/dbraw/zinc/18/97/76/608189776.db2.gz YTHJMQZHTYEDQW-HNNXBMFYSA-N -1 3 393.495 3.480 20 0 GGADHM CC(C)c1ccc(/C=C/CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824347964 608191212 /nfs/dbraw/zinc/19/12/12/608191212.db2.gz UYPJLPMQBQHFEF-ONEGZZNKSA-N -1 3 391.479 3.017 20 0 GGADHM CC(C)c1ccc(/C=C/CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824347964 608191213 /nfs/dbraw/zinc/19/12/13/608191213.db2.gz UYPJLPMQBQHFEF-ONEGZZNKSA-N -1 3 391.479 3.017 20 0 GGADHM CC[C@H](C)N(OC)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825066305 608193315 /nfs/dbraw/zinc/19/33/15/608193315.db2.gz BGCAKDBTAZRBGK-AWEZNQCLSA-N -1 3 381.436 3.248 20 0 GGADHM CCN(C(=O)[C@H](O)c1ccccc1Cl)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376561 608195415 /nfs/dbraw/zinc/19/54/15/608195415.db2.gz JUJXXMALLMUXRL-SJKOYZFVSA-N -1 3 385.855 3.163 20 0 GGADHM CCN(C(=O)[C@H](O)c1ccccc1Cl)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376561 608195416 /nfs/dbraw/zinc/19/54/16/608195416.db2.gz JUJXXMALLMUXRL-SJKOYZFVSA-N -1 3 385.855 3.163 20 0 GGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825059735 608196843 /nfs/dbraw/zinc/19/68/43/608196843.db2.gz JLJSTRVYTZTRKC-SGTLLEGYSA-N -1 3 397.435 3.013 20 0 GGADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825059735 608196844 /nfs/dbraw/zinc/19/68/44/608196844.db2.gz JLJSTRVYTZTRKC-SGTLLEGYSA-N -1 3 397.435 3.013 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H](O)C(C)(C)C)cc1 ZINC000826176365 608197164 /nfs/dbraw/zinc/19/71/64/608197164.db2.gz LWYYQMYWNIHKSC-KRWDZBQOSA-N -1 3 397.435 3.013 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H](O)C(C)(C)C)cc1 ZINC000826176365 608197166 /nfs/dbraw/zinc/19/71/66/608197166.db2.gz LWYYQMYWNIHKSC-KRWDZBQOSA-N -1 3 397.435 3.013 20 0 GGADHM O=C(CCCC(F)(F)F)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000826405401 608197917 /nfs/dbraw/zinc/19/79/17/608197917.db2.gz DONMJQABDRDIRI-UHFFFAOYSA-N -1 3 395.341 3.070 20 0 GGADHM O=C(CCCC(F)(F)F)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000826405401 608197919 /nfs/dbraw/zinc/19/79/19/608197919.db2.gz DONMJQABDRDIRI-UHFFFAOYSA-N -1 3 395.341 3.070 20 0 GGADHM Cc1ccccc1Cn1c2ccccc2nc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826307644 608201815 /nfs/dbraw/zinc/20/18/15/608201815.db2.gz QSGSHTBDVRUIPV-UHFFFAOYSA-N -1 3 398.430 3.154 20 0 GGADHM Cc1ccccc1Cn1c2ccccc2nc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826307644 608201818 /nfs/dbraw/zinc/20/18/18/608201818.db2.gz QSGSHTBDVRUIPV-UHFFFAOYSA-N -1 3 398.430 3.154 20 0 GGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826315108 608205467 /nfs/dbraw/zinc/20/54/67/608205467.db2.gz YKAVOQBYMODRNF-ZDUSSCGKSA-N -1 3 381.440 3.240 20 0 GGADHM Cc1ccncc1[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826315108 608205468 /nfs/dbraw/zinc/20/54/68/608205468.db2.gz YKAVOQBYMODRNF-ZDUSSCGKSA-N -1 3 381.440 3.240 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824072196 608206224 /nfs/dbraw/zinc/20/62/24/608206224.db2.gz STGBBYVWJFWYAH-MFKMUULPSA-N -1 3 398.294 3.497 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824072196 608206226 /nfs/dbraw/zinc/20/62/26/608206226.db2.gz STGBBYVWJFWYAH-MFKMUULPSA-N -1 3 398.294 3.497 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826315047 608207432 /nfs/dbraw/zinc/20/74/32/608207432.db2.gz WQFKRSJVNXWPIS-SNVBAGLBSA-N -1 3 391.357 3.472 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826315047 608207434 /nfs/dbraw/zinc/20/74/34/608207434.db2.gz WQFKRSJVNXWPIS-SNVBAGLBSA-N -1 3 391.357 3.472 20 0 GGADHM CCOc1ccc(OCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825643933 608209659 /nfs/dbraw/zinc/20/96/59/608209659.db2.gz XDSFSHFRBBOZHS-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM CCOc1ccc(OCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825643933 608209661 /nfs/dbraw/zinc/20/96/61/608209661.db2.gz XDSFSHFRBBOZHS-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM Cc1cccc(O)c1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826300550 608211780 /nfs/dbraw/zinc/21/17/80/608211780.db2.gz YVGLTYGNVMRRLM-UHFFFAOYSA-N -1 3 391.387 3.305 20 0 GGADHM Cc1cccc(O)c1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826300550 608211781 /nfs/dbraw/zinc/21/17/81/608211781.db2.gz YVGLTYGNVMRRLM-UHFFFAOYSA-N -1 3 391.387 3.305 20 0 GGADHM Cc1ocnc1CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826342899 608213533 /nfs/dbraw/zinc/21/35/33/608213533.db2.gz DTTBYBLWVOUXOR-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1ocnc1CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826342899 608213534 /nfs/dbraw/zinc/21/35/34/608213534.db2.gz DTTBYBLWVOUXOR-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM CC(C)[C@@H]1C[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824213574 608217583 /nfs/dbraw/zinc/21/75/83/608217583.db2.gz BYTLWQWDNYHRJY-RISCZKNCSA-N -1 3 380.905 3.010 20 0 GGADHM CC(C)[C@@H]1C[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824213574 608217585 /nfs/dbraw/zinc/21/75/85/608217585.db2.gz BYTLWQWDNYHRJY-RISCZKNCSA-N -1 3 380.905 3.010 20 0 GGADHM COc1ccc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)c(OC)c1 ZINC000826193228 608221954 /nfs/dbraw/zinc/22/19/54/608221954.db2.gz VSYSZPYKXWDKNF-UHFFFAOYSA-N -1 3 376.420 3.069 20 0 GGADHM COc1ccc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)c(OC)c1 ZINC000826193228 608221956 /nfs/dbraw/zinc/22/19/56/608221956.db2.gz VSYSZPYKXWDKNF-UHFFFAOYSA-N -1 3 376.420 3.069 20 0 GGADHM O=C1CCCN1c1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826480568 608224104 /nfs/dbraw/zinc/22/41/04/608224104.db2.gz HNXUSVSLVLHSEP-UHFFFAOYSA-N -1 3 385.431 3.154 20 0 GGADHM O=C1CCCN1c1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826480568 608224106 /nfs/dbraw/zinc/22/41/06/608224106.db2.gz HNXUSVSLVLHSEP-UHFFFAOYSA-N -1 3 385.431 3.154 20 0 GGADHM COc1c(C)cnc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1C ZINC000826167345 608225557 /nfs/dbraw/zinc/22/55/57/608225557.db2.gz ZKFRLUGFOFFCBK-UHFFFAOYSA-N -1 3 375.436 3.072 20 0 GGADHM COc1c(C)cnc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1C ZINC000826167345 608225559 /nfs/dbraw/zinc/22/55/59/608225559.db2.gz ZKFRLUGFOFFCBK-UHFFFAOYSA-N -1 3 375.436 3.072 20 0 GGADHM COc1cc(Br)cc(NCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826176813 608227129 /nfs/dbraw/zinc/22/71/29/608227129.db2.gz FMTWPRWGESIQHH-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cc(Br)cc(NCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826176813 608227130 /nfs/dbraw/zinc/22/71/30/608227130.db2.gz FMTWPRWGESIQHH-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM Fc1ccccc1[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000826378382 608227423 /nfs/dbraw/zinc/22/74/23/608227423.db2.gz HNCITNDRWPBHOA-SFHVURJKSA-N -1 3 376.395 3.132 20 0 GGADHM Fc1ccccc1[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000826378382 608227424 /nfs/dbraw/zinc/22/74/24/608227424.db2.gz HNCITNDRWPBHOA-SFHVURJKSA-N -1 3 376.395 3.132 20 0 GGADHM O[C@@H]1C[C@H](c2cc(F)ccc2F)N(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826506667 608234843 /nfs/dbraw/zinc/23/48/43/608234843.db2.gz ZITPXPXGAWWNRN-RDTXWAMCSA-N -1 3 394.385 3.005 20 0 GGADHM O[C@@H]1C[C@H](c2cc(F)ccc2F)N(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826506667 608234845 /nfs/dbraw/zinc/23/48/45/608234845.db2.gz ZITPXPXGAWWNRN-RDTXWAMCSA-N -1 3 394.385 3.005 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000826371946 608235878 /nfs/dbraw/zinc/23/58/78/608235878.db2.gz AHKOUFYZKKJMDF-INIZCTEOSA-N -1 3 391.353 3.185 20 0 GGADHM COC(=O)C(C)(C)[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000826098869 608237776 /nfs/dbraw/zinc/23/77/76/608237776.db2.gz SBFDXMRHIPLIAO-AWEZNQCLSA-N -1 3 394.479 3.139 20 0 GGADHM COC(=O)C(C)(C)[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000826098869 608237777 /nfs/dbraw/zinc/23/77/77/608237777.db2.gz SBFDXMRHIPLIAO-AWEZNQCLSA-N -1 3 394.479 3.139 20 0 GGADHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000826098596 608238198 /nfs/dbraw/zinc/23/81/98/608238198.db2.gz JLTYKYIMVHKJNR-GFCCVEGCSA-N -1 3 397.401 3.301 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000826189553 608239444 /nfs/dbraw/zinc/23/94/44/608239444.db2.gz YKTJLWAHXDWHSY-ZUOKHONESA-N -1 3 390.447 3.034 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000826189553 608239446 /nfs/dbraw/zinc/23/94/46/608239446.db2.gz YKTJLWAHXDWHSY-ZUOKHONESA-N -1 3 390.447 3.034 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000825793400 608244374 /nfs/dbraw/zinc/24/43/74/608244374.db2.gz SQRBRCMYAJTDLZ-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000825793400 608244375 /nfs/dbraw/zinc/24/43/75/608244375.db2.gz SQRBRCMYAJTDLZ-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825610022 608247315 /nfs/dbraw/zinc/24/73/15/608247315.db2.gz WMLBNMCCXWBAEU-YWEYNIOJSA-N -1 3 375.388 3.366 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825610022 608247316 /nfs/dbraw/zinc/24/73/16/608247316.db2.gz WMLBNMCCXWBAEU-YWEYNIOJSA-N -1 3 375.388 3.366 20 0 GGADHM O=C(OCc1c(F)cccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000826463926 608252530 /nfs/dbraw/zinc/25/25/30/608252530.db2.gz AFEIFVRGFKJVLE-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1c(F)cccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000826463926 608252532 /nfs/dbraw/zinc/25/25/32/608252532.db2.gz AFEIFVRGFKJVLE-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824113812 608257650 /nfs/dbraw/zinc/25/76/50/608257650.db2.gz DWALXVZYRCGGCJ-UHFFFAOYSA-N -1 3 395.419 3.362 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824113812 608257652 /nfs/dbraw/zinc/25/76/52/608257652.db2.gz DWALXVZYRCGGCJ-UHFFFAOYSA-N -1 3 395.419 3.362 20 0 GGADHM FC(F)Oc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826369381 608259268 /nfs/dbraw/zinc/25/92/68/608259268.db2.gz ADKUYALLTNPSAA-QGZVFWFLSA-N -1 3 387.390 3.042 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826277815 608261805 /nfs/dbraw/zinc/26/18/05/608261805.db2.gz HSYVURIZZHNIMU-SJLPKXTDSA-N -1 3 378.436 3.074 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826277815 608261806 /nfs/dbraw/zinc/26/18/06/608261806.db2.gz HSYVURIZZHNIMU-SJLPKXTDSA-N -1 3 378.436 3.074 20 0 GGADHM Cc1cnc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)nc1 ZINC000826319106 608262763 /nfs/dbraw/zinc/26/27/63/608262763.db2.gz OMCOPMSJIYLQTH-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1cnc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)nc1 ZINC000826319106 608262765 /nfs/dbraw/zinc/26/27/65/608262765.db2.gz OMCOPMSJIYLQTH-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(Cc2cccs2)o1 ZINC000826173649 608264361 /nfs/dbraw/zinc/26/43/61/608264361.db2.gz OAPZOWDXBNBPJN-UHFFFAOYSA-N -1 3 386.462 3.203 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(Cc2cccs2)o1 ZINC000826173649 608264364 /nfs/dbraw/zinc/26/43/64/608264364.db2.gz OAPZOWDXBNBPJN-UHFFFAOYSA-N -1 3 386.462 3.203 20 0 GGADHM CC(C)(C)n1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cn1 ZINC000824148526 608264846 /nfs/dbraw/zinc/26/48/46/608264846.db2.gz YMSHDOGNGJSSPU-UHFFFAOYSA-N -1 3 380.456 3.015 20 0 GGADHM CC(C)(C)n1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cn1 ZINC000824148526 608264848 /nfs/dbraw/zinc/26/48/48/608264848.db2.gz YMSHDOGNGJSSPU-UHFFFAOYSA-N -1 3 380.456 3.015 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1c(F)ccc(C)c1F ZINC000826167561 608266821 /nfs/dbraw/zinc/26/68/21/608266821.db2.gz JECDIEQQXFRSPI-UHFFFAOYSA-N -1 3 380.738 3.335 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1c(F)ccc(C)c1F ZINC000826167561 608266823 /nfs/dbraw/zinc/26/68/23/608266823.db2.gz JECDIEQQXFRSPI-UHFFFAOYSA-N -1 3 380.738 3.335 20 0 GGADHM CCc1cccnc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000825728714 608269884 /nfs/dbraw/zinc/26/98/84/608269884.db2.gz XDYGADUKXSWYIM-UHFFFAOYSA-N -1 3 390.369 3.029 20 0 GGADHM CCc1cccnc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000825728714 608269886 /nfs/dbraw/zinc/26/98/86/608269886.db2.gz XDYGADUKXSWYIM-UHFFFAOYSA-N -1 3 390.369 3.029 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826452866 608270354 /nfs/dbraw/zinc/27/03/54/608270354.db2.gz MCHPMQYQFQWNNI-RHSMWYFYSA-N -1 3 398.854 3.419 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826452866 608270356 /nfs/dbraw/zinc/27/03/56/608270356.db2.gz MCHPMQYQFQWNNI-RHSMWYFYSA-N -1 3 398.854 3.419 20 0 GGADHM C[C@]1(O)CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000824837848 608270560 /nfs/dbraw/zinc/27/05/60/608270560.db2.gz JGOQYTJDBPPDNL-FQEVSTJZSA-N -1 3 394.435 3.038 20 0 GGADHM C[C@]1(O)CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000824837848 608270561 /nfs/dbraw/zinc/27/05/61/608270561.db2.gz JGOQYTJDBPPDNL-FQEVSTJZSA-N -1 3 394.435 3.038 20 0 GGADHM COc1ccc2c(c1)CCCN(c1nc3c(cc1-c1nnn[n-]1)CCCC3)C2 ZINC000826212754 608283102 /nfs/dbraw/zinc/28/31/02/608283102.db2.gz AHLBDVPZQLQYCX-UHFFFAOYSA-N -1 3 376.464 3.102 20 0 GGADHM COc1ccc2c(c1)CCCN(c1nc3c(cc1-c1nn[n-]n1)CCCC3)C2 ZINC000826212754 608283103 /nfs/dbraw/zinc/28/31/03/608283103.db2.gz AHLBDVPZQLQYCX-UHFFFAOYSA-N -1 3 376.464 3.102 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000826274352 608286755 /nfs/dbraw/zinc/28/67/55/608286755.db2.gz OKIMRLVAHVKXPP-KRWDZBQOSA-N -1 3 384.871 3.174 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000826274352 608286756 /nfs/dbraw/zinc/28/67/56/608286756.db2.gz OKIMRLVAHVKXPP-KRWDZBQOSA-N -1 3 384.871 3.174 20 0 GGADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000536906683 608292255 /nfs/dbraw/zinc/29/22/55/608292255.db2.gz WBOABUMJONQYTF-MRXNPFEDSA-N -1 3 386.459 3.402 20 0 GGADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000536906683 608292258 /nfs/dbraw/zinc/29/22/58/608292258.db2.gz WBOABUMJONQYTF-MRXNPFEDSA-N -1 3 386.459 3.402 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1COC(C)(C)C ZINC000825972034 608292844 /nfs/dbraw/zinc/29/28/44/608292844.db2.gz SIAOKTAFPFVNDS-UHFFFAOYSA-N -1 3 379.464 3.454 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1COC(C)(C)C ZINC000825972034 608292846 /nfs/dbraw/zinc/29/28/46/608292846.db2.gz SIAOKTAFPFVNDS-UHFFFAOYSA-N -1 3 379.464 3.454 20 0 GGADHM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000825261007 608296410 /nfs/dbraw/zinc/29/64/10/608296410.db2.gz SDVQJLCZYRNACA-ZDUSSCGKSA-N -1 3 375.477 3.066 20 0 GGADHM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000825261007 608296413 /nfs/dbraw/zinc/29/64/13/608296413.db2.gz SDVQJLCZYRNACA-ZDUSSCGKSA-N -1 3 375.477 3.066 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825991928 608296544 /nfs/dbraw/zinc/29/65/44/608296544.db2.gz MGIJWPGNMVNTIS-UHFFFAOYSA-N -1 3 386.463 3.167 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825991928 608296547 /nfs/dbraw/zinc/29/65/47/608296547.db2.gz MGIJWPGNMVNTIS-UHFFFAOYSA-N -1 3 386.463 3.167 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824390809 608297749 /nfs/dbraw/zinc/29/77/49/608297749.db2.gz DQECBIOEFDZRDV-XIKOKIGWSA-N -1 3 382.443 3.204 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824390809 608297750 /nfs/dbraw/zinc/29/77/50/608297750.db2.gz DQECBIOEFDZRDV-XIKOKIGWSA-N -1 3 382.443 3.204 20 0 GGADHM C[C@@H](Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000824662101 608299264 /nfs/dbraw/zinc/29/92/64/608299264.db2.gz CIQNVKAVJKFWET-KHXSAUHESA-N -1 3 382.493 3.051 20 0 GGADHM C[C@@H](Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000824662101 608299267 /nfs/dbraw/zinc/29/92/67/608299267.db2.gz CIQNVKAVJKFWET-KHXSAUHESA-N -1 3 382.493 3.051 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc(C)c(C)s1 ZINC000825390786 608299372 /nfs/dbraw/zinc/29/93/72/608299372.db2.gz MJQIJACKWHDOGY-LBPRGKRZSA-N -1 3 391.522 3.317 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc(C)c(C)s1 ZINC000825390786 608299374 /nfs/dbraw/zinc/29/93/74/608299374.db2.gz MJQIJACKWHDOGY-LBPRGKRZSA-N -1 3 391.522 3.317 20 0 GGADHM Cc1cc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000826270193 608301080 /nfs/dbraw/zinc/30/10/80/608301080.db2.gz PQLHVLICINWOBT-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1cc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000826270193 608301081 /nfs/dbraw/zinc/30/10/81/608301081.db2.gz PQLHVLICINWOBT-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cn2ccccc2n1 ZINC000826440950 608304124 /nfs/dbraw/zinc/30/41/24/608304124.db2.gz GYWPQQNNYOBWSH-UHFFFAOYSA-N -1 3 395.426 3.111 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cn2ccccc2n1 ZINC000826440950 608304126 /nfs/dbraw/zinc/30/41/26/608304126.db2.gz GYWPQQNNYOBWSH-UHFFFAOYSA-N -1 3 395.426 3.111 20 0 GGADHM CC(C)(C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CCCCC1 ZINC000824064453 608308418 /nfs/dbraw/zinc/30/84/18/608308418.db2.gz INPNMDGJFGAZAF-UHFFFAOYSA-N -1 3 394.483 3.052 20 0 GGADHM CC(C)(C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CCCCC1 ZINC000824064453 608308420 /nfs/dbraw/zinc/30/84/20/608308420.db2.gz INPNMDGJFGAZAF-UHFFFAOYSA-N -1 3 394.483 3.052 20 0 GGADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824040468 608310161 /nfs/dbraw/zinc/31/01/61/608310161.db2.gz QMAHVQGURRELBY-LLVKDONJSA-N -1 3 386.253 3.396 20 0 GGADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824040468 608310163 /nfs/dbraw/zinc/31/01/63/608310163.db2.gz QMAHVQGURRELBY-LLVKDONJSA-N -1 3 386.253 3.396 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C[C@H]1C ZINC000824947918 608313211 /nfs/dbraw/zinc/31/32/11/608313211.db2.gz RPEWPPIJQFDZJX-ZIAGYGMSSA-N -1 3 381.436 3.157 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C[C@H]1C ZINC000824947918 608313213 /nfs/dbraw/zinc/31/32/13/608313213.db2.gz RPEWPPIJQFDZJX-ZIAGYGMSSA-N -1 3 381.436 3.157 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000826421051 608315693 /nfs/dbraw/zinc/31/56/93/608315693.db2.gz PDYSLCSRBADDIS-UHFFFAOYSA-N -1 3 378.417 3.253 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000826421051 608315695 /nfs/dbraw/zinc/31/56/95/608315695.db2.gz PDYSLCSRBADDIS-UHFFFAOYSA-N -1 3 378.417 3.253 20 0 GGADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000824473315 608317574 /nfs/dbraw/zinc/31/75/74/608317574.db2.gz ZWZRGBGPOWMBKZ-NSHDSACASA-N -1 3 387.390 3.180 20 0 GGADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000824473315 608317576 /nfs/dbraw/zinc/31/75/76/608317576.db2.gz ZWZRGBGPOWMBKZ-NSHDSACASA-N -1 3 387.390 3.180 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1nccs1)c1ccccc1 ZINC000826170097 608319896 /nfs/dbraw/zinc/31/98/96/608319896.db2.gz OFXYBSJCBFQLPQ-QGZVFWFLSA-N -1 3 378.461 3.211 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1nccs1)c1ccccc1 ZINC000826170097 608319899 /nfs/dbraw/zinc/31/98/99/608319899.db2.gz OFXYBSJCBFQLPQ-QGZVFWFLSA-N -1 3 378.461 3.211 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(C[S@](C)=O)ccc1Cl ZINC000826170684 608320629 /nfs/dbraw/zinc/32/06/29/608320629.db2.gz KXWUHCMDKYQUDW-SANMLTNESA-N -1 3 391.884 3.019 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(C[S@](C)=O)ccc1Cl ZINC000826170684 608320631 /nfs/dbraw/zinc/32/06/31/608320631.db2.gz KXWUHCMDKYQUDW-SANMLTNESA-N -1 3 391.884 3.019 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000826170797 608320920 /nfs/dbraw/zinc/32/09/20/608320920.db2.gz PJWASZGZOOVJLM-KRWDZBQOSA-N -1 3 395.463 3.435 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000826170797 608320922 /nfs/dbraw/zinc/32/09/22/608320922.db2.gz PJWASZGZOOVJLM-KRWDZBQOSA-N -1 3 395.463 3.435 20 0 GGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1F ZINC000826464106 608321164 /nfs/dbraw/zinc/32/11/64/608321164.db2.gz IUOIRZKLSOSYTD-UHFFFAOYSA-N -1 3 380.738 3.034 20 0 GGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1F ZINC000826464106 608321166 /nfs/dbraw/zinc/32/11/66/608321166.db2.gz IUOIRZKLSOSYTD-UHFFFAOYSA-N -1 3 380.738 3.034 20 0 GGADHM Cc1cc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)ccc1C(C)C ZINC000826272015 608326322 /nfs/dbraw/zinc/32/63/22/608326322.db2.gz RBUFZWOISIUVDG-UHFFFAOYSA-N -1 3 390.440 3.346 20 0 GGADHM Cc1cc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)ccc1C(C)C ZINC000826272015 608326324 /nfs/dbraw/zinc/32/63/24/608326324.db2.gz RBUFZWOISIUVDG-UHFFFAOYSA-N -1 3 390.440 3.346 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1(C(F)(F)F)CC1 ZINC000826440301 608328434 /nfs/dbraw/zinc/32/84/34/608328434.db2.gz HVLSARDPOABKAR-UHFFFAOYSA-N -1 3 387.365 3.492 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1(C(F)(F)F)CC1 ZINC000826440301 608328435 /nfs/dbraw/zinc/32/84/35/608328435.db2.gz HVLSARDPOABKAR-UHFFFAOYSA-N -1 3 387.365 3.492 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccc2c1OCO2 ZINC000826441232 608328598 /nfs/dbraw/zinc/32/85/98/608328598.db2.gz VGTSRKTVHLIGDX-UHFFFAOYSA-N -1 3 399.410 3.192 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccc2c1OCO2 ZINC000826441232 608328600 /nfs/dbraw/zinc/32/86/00/608328600.db2.gz VGTSRKTVHLIGDX-UHFFFAOYSA-N -1 3 399.410 3.192 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1Cc2ccccc21 ZINC000826440840 608328712 /nfs/dbraw/zinc/32/87/12/608328712.db2.gz CMANENWSCRQREL-NRFANRHFSA-N -1 3 381.439 3.490 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1Cc2ccccc21 ZINC000826440840 608328713 /nfs/dbraw/zinc/32/87/13/608328713.db2.gz CMANENWSCRQREL-NRFANRHFSA-N -1 3 381.439 3.490 20 0 GGADHM O=C(CCc1ccncc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826409108 608329961 /nfs/dbraw/zinc/32/99/61/608329961.db2.gz JBJLPHUWGSHITR-UHFFFAOYSA-N -1 3 384.443 3.178 20 0 GGADHM O=C(CCc1ccncc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409108 608329963 /nfs/dbraw/zinc/32/99/63/608329963.db2.gz JBJLPHUWGSHITR-UHFFFAOYSA-N -1 3 384.443 3.178 20 0 GGADHM COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826163309 608333307 /nfs/dbraw/zinc/33/33/07/608333307.db2.gz ONELMXOASVOCTM-GFCCVEGCSA-N -1 3 387.465 3.047 20 0 GGADHM COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826163309 608333308 /nfs/dbraw/zinc/33/33/08/608333308.db2.gz ONELMXOASVOCTM-GFCCVEGCSA-N -1 3 387.465 3.047 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCc1nc(C2CC2)cs1 ZINC000826420312 608335048 /nfs/dbraw/zinc/33/50/48/608335048.db2.gz HUPPKJKSXGDXFV-UHFFFAOYSA-N -1 3 387.490 3.177 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCc1nc(C2CC2)cs1 ZINC000826420312 608335049 /nfs/dbraw/zinc/33/50/49/608335049.db2.gz HUPPKJKSXGDXFV-UHFFFAOYSA-N -1 3 387.490 3.177 20 0 GGADHM CCc1nn(C)cc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825762986 608337520 /nfs/dbraw/zinc/33/75/20/608337520.db2.gz MQCSYONZQPQMLT-UHFFFAOYSA-N -1 3 388.435 3.159 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825121193 608338478 /nfs/dbraw/zinc/33/84/78/608338478.db2.gz QOASQPVYSQRCPT-ZDUSSCGKSA-N -1 3 378.502 3.259 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825121193 608338480 /nfs/dbraw/zinc/33/84/80/608338480.db2.gz QOASQPVYSQRCPT-ZDUSSCGKSA-N -1 3 378.502 3.259 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826452125 608338513 /nfs/dbraw/zinc/33/85/13/608338513.db2.gz IGSNMQNDDLOLNB-STQMWFEESA-N -1 3 390.875 3.191 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826452125 608338515 /nfs/dbraw/zinc/33/85/15/608338515.db2.gz IGSNMQNDDLOLNB-STQMWFEESA-N -1 3 390.875 3.191 20 0 GGADHM Cc1sc(NC(=O)c2cnc(Oc3ccccc3)cn2)c(-c2nnn[n-]2)c1C ZINC000826350520 608339422 /nfs/dbraw/zinc/33/94/22/608339422.db2.gz ZSAYUWSOOBDRRT-UHFFFAOYSA-N -1 3 393.432 3.380 20 0 GGADHM Cc1sc(NC(=O)c2cnc(Oc3ccccc3)cn2)c(-c2nn[n-]n2)c1C ZINC000826350520 608339423 /nfs/dbraw/zinc/33/94/23/608339423.db2.gz ZSAYUWSOOBDRRT-UHFFFAOYSA-N -1 3 393.432 3.380 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)n1ccccc1=Nc1ccccc1 ZINC000824755188 608340100 /nfs/dbraw/zinc/34/01/00/608340100.db2.gz JYKIDQBWMPINFG-OAHLLOKOSA-N -1 3 386.415 3.008 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)n1ccccc1=Nc1ccccc1 ZINC000824755188 608340101 /nfs/dbraw/zinc/34/01/01/608340101.db2.gz JYKIDQBWMPINFG-OAHLLOKOSA-N -1 3 386.415 3.008 20 0 GGADHM CCN(C(=O)CSCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372021 608341740 /nfs/dbraw/zinc/34/17/40/608341740.db2.gz QANOPCUIIMVTQI-UHFFFAOYSA-N -1 3 379.795 3.169 20 0 GGADHM CCN(C(=O)CSCC(F)(F)F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372021 608341741 /nfs/dbraw/zinc/34/17/41/608341741.db2.gz QANOPCUIIMVTQI-UHFFFAOYSA-N -1 3 379.795 3.169 20 0 GGADHM CCN(C(=O)CC1CCC(OC)CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367213 608341892 /nfs/dbraw/zinc/34/18/92/608341892.db2.gz LEGPVVVSQGAPBL-UHFFFAOYSA-N -1 3 377.876 3.468 20 0 GGADHM CCN(C(=O)CC1CCC(OC)CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367213 608341893 /nfs/dbraw/zinc/34/18/93/608341893.db2.gz LEGPVVVSQGAPBL-UHFFFAOYSA-N -1 3 377.876 3.468 20 0 GGADHM CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372128 608343536 /nfs/dbraw/zinc/34/35/36/608343536.db2.gz QXXACKSKPDJOND-GXTWGEPZSA-N -1 3 377.876 3.468 20 0 GGADHM CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372128 608343539 /nfs/dbraw/zinc/34/35/39/608343539.db2.gz QXXACKSKPDJOND-GXTWGEPZSA-N -1 3 377.876 3.468 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000826171288 608345142 /nfs/dbraw/zinc/34/51/42/608345142.db2.gz ITABUBGHRVQSSB-CMDGGOBGSA-N -1 3 393.428 3.242 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000826171288 608345143 /nfs/dbraw/zinc/34/51/43/608345143.db2.gz ITABUBGHRVQSSB-CMDGGOBGSA-N -1 3 393.428 3.242 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(c2cccc(F)c2)CCC1 ZINC000826171592 608345485 /nfs/dbraw/zinc/34/54/85/608345485.db2.gz RQTFHSSYOZVCRQ-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(c2cccc(F)c2)CCC1 ZINC000826171592 608345487 /nfs/dbraw/zinc/34/54/87/608345487.db2.gz RQTFHSSYOZVCRQ-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000826172233 608345855 /nfs/dbraw/zinc/34/58/55/608345855.db2.gz UVPAFCVEHGXVNM-UHFFFAOYSA-N -1 3 392.337 3.180 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000826172233 608345856 /nfs/dbraw/zinc/34/58/56/608345856.db2.gz UVPAFCVEHGXVNM-UHFFFAOYSA-N -1 3 392.337 3.180 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000826172033 608347990 /nfs/dbraw/zinc/34/79/90/608347990.db2.gz JWZDZYCTTJGPSJ-UHFFFAOYSA-N -1 3 391.387 3.196 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000826172033 608347992 /nfs/dbraw/zinc/34/79/92/608347992.db2.gz JWZDZYCTTJGPSJ-UHFFFAOYSA-N -1 3 391.387 3.196 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1nc(-c2cccs2)oc1C ZINC000826172981 608348540 /nfs/dbraw/zinc/34/85/40/608348540.db2.gz HBSXFZTUBYATOR-UHFFFAOYSA-N -1 3 397.416 3.257 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1nc(-c2cccs2)oc1C ZINC000826172981 608348542 /nfs/dbraw/zinc/34/85/42/608348542.db2.gz HBSXFZTUBYATOR-UHFFFAOYSA-N -1 3 397.416 3.257 20 0 GGADHM C[C@@H](CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824419675 608351175 /nfs/dbraw/zinc/35/11/75/608351175.db2.gz BKVUVMDABQZZCK-AWEZNQCLSA-N -1 3 376.464 3.379 20 0 GGADHM C[C@@H](CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824419675 608351177 /nfs/dbraw/zinc/35/11/77/608351177.db2.gz BKVUVMDABQZZCK-AWEZNQCLSA-N -1 3 376.464 3.379 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1ccccc1OC(F)(F)F ZINC000826168017 608352584 /nfs/dbraw/zinc/35/25/84/608352584.db2.gz ZDJWSOOPMIBQRZ-UHFFFAOYSA-N -1 3 393.369 3.406 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccccc1OC(F)(F)F ZINC000826168017 608352586 /nfs/dbraw/zinc/35/25/86/608352586.db2.gz ZDJWSOOPMIBQRZ-UHFFFAOYSA-N -1 3 393.369 3.406 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826171347 608360066 /nfs/dbraw/zinc/36/00/66/608360066.db2.gz KKXNLLBKEIOGME-KBPBESRZSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826171347 608360068 /nfs/dbraw/zinc/36/00/68/608360068.db2.gz KKXNLLBKEIOGME-KBPBESRZSA-N -1 3 386.358 3.000 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc2[nH]cnc2c1 ZINC000826441077 608360356 /nfs/dbraw/zinc/36/03/56/608360356.db2.gz MWNZUZFOCYWPSL-UHFFFAOYSA-N -1 3 395.426 3.340 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc2[nH]cnc2c1 ZINC000826441077 608360358 /nfs/dbraw/zinc/36/03/58/608360358.db2.gz MWNZUZFOCYWPSL-UHFFFAOYSA-N -1 3 395.426 3.340 20 0 GGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826214739 608363779 /nfs/dbraw/zinc/36/37/79/608363779.db2.gz VUKSVEZTDFLWTQ-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM COc1cccc([C@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826214739 608363781 /nfs/dbraw/zinc/36/37/81/608363781.db2.gz VUKSVEZTDFLWTQ-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM O=C(NCCNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826437265 608365447 /nfs/dbraw/zinc/36/54/47/608365447.db2.gz CUHRDEQVTFWPSZ-UHFFFAOYSA-N -1 3 377.235 3.015 20 0 GGADHM O=C(NCCNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826437265 608365449 /nfs/dbraw/zinc/36/54/49/608365449.db2.gz CUHRDEQVTFWPSZ-UHFFFAOYSA-N -1 3 377.235 3.015 20 0 GGADHM O=C1CCCN1Cc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826480942 608366642 /nfs/dbraw/zinc/36/66/42/608366642.db2.gz ZCGKJKSVMBOSGC-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM O=C1CCCN1Cc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826480942 608366644 /nfs/dbraw/zinc/36/66/44/608366644.db2.gz ZCGKJKSVMBOSGC-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM CN(CCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)CC(F)(F)F ZINC000825918564 608367884 /nfs/dbraw/zinc/36/78/84/608367884.db2.gz HOPQRWSIPVASGE-UHFFFAOYSA-N -1 3 382.312 3.182 20 0 GGADHM COc1ccc(COC(=O)c2cccc([C@H]3CCCOC3)c2)cc1-c1nnn[n-]1 ZINC000826206255 608379244 /nfs/dbraw/zinc/37/92/44/608379244.db2.gz KJVOVTHPULWJJJ-KRWDZBQOSA-N -1 3 394.431 3.126 20 0 GGADHM COc1ccc(COC(=O)c2cccc([C@H]3CCCOC3)c2)cc1-c1nn[n-]n1 ZINC000826206255 608379246 /nfs/dbraw/zinc/37/92/46/608379246.db2.gz KJVOVTHPULWJJJ-KRWDZBQOSA-N -1 3 394.431 3.126 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823968068 608381644 /nfs/dbraw/zinc/38/16/44/608381644.db2.gz USZBKQWULRQMPY-LLVKDONJSA-N -1 3 399.838 3.410 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823968068 608381646 /nfs/dbraw/zinc/38/16/46/608381646.db2.gz USZBKQWULRQMPY-LLVKDONJSA-N -1 3 399.838 3.410 20 0 GGADHM C[C@]1(O)CCCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000824839114 608383241 /nfs/dbraw/zinc/38/32/41/608383241.db2.gz YZWOXYNEDKVQQU-FQEVSTJZSA-N -1 3 395.488 3.005 20 0 GGADHM C[C@]1(O)CCCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000824839114 608383243 /nfs/dbraw/zinc/38/32/43/608383243.db2.gz YZWOXYNEDKVQQU-FQEVSTJZSA-N -1 3 395.488 3.005 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826283074 608395431 /nfs/dbraw/zinc/39/54/31/608395431.db2.gz JRACOICPYHBCET-AWEZNQCLSA-N -1 3 378.436 3.328 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826283074 608395432 /nfs/dbraw/zinc/39/54/32/608395432.db2.gz JRACOICPYHBCET-AWEZNQCLSA-N -1 3 378.436 3.328 20 0 GGADHM Fc1c(CSc2nncn2CCc2cccs2)cccc1-c1nnn[n-]1 ZINC000826371674 608396648 /nfs/dbraw/zinc/39/66/48/608396648.db2.gz PPVPOYSNCWQWEV-UHFFFAOYSA-N -1 3 387.469 3.194 20 0 GGADHM Fc1c(CSc2nncn2CCc2cccs2)cccc1-c1nn[n-]n1 ZINC000826371674 608396649 /nfs/dbraw/zinc/39/66/49/608396649.db2.gz PPVPOYSNCWQWEV-UHFFFAOYSA-N -1 3 387.469 3.194 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429149 608400889 /nfs/dbraw/zinc/40/08/89/608400889.db2.gz VHLLURBJNSSLLS-WOJBJXKFSA-N -1 3 386.459 3.222 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429149 608400890 /nfs/dbraw/zinc/40/08/90/608400890.db2.gz VHLLURBJNSSLLS-WOJBJXKFSA-N -1 3 386.459 3.222 20 0 GGADHM O=C(NCc1cc(F)ccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826440280 608407125 /nfs/dbraw/zinc/40/71/25/608407125.db2.gz GZFPNDQMYZCBID-UHFFFAOYSA-N -1 3 396.401 3.144 20 0 GGADHM O=C(NCc1cc(F)ccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826440280 608407126 /nfs/dbraw/zinc/40/71/26/608407126.db2.gz GZFPNDQMYZCBID-UHFFFAOYSA-N -1 3 396.401 3.144 20 0 GGADHM Cc1cccc2c(NCc3nc(-c4cccc(-c5nnn[n-]5)c4)c[nH]3)ncnc12 ZINC000826305521 608410356 /nfs/dbraw/zinc/41/03/56/608410356.db2.gz ZXSMKLJOIREPNI-UHFFFAOYSA-N -1 3 383.419 3.121 20 0 GGADHM Cc1cccc2c(NCc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)ncnc12 ZINC000826305521 608410357 /nfs/dbraw/zinc/41/03/57/608410357.db2.gz ZXSMKLJOIREPNI-UHFFFAOYSA-N -1 3 383.419 3.121 20 0 GGADHM COc1ccccc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826218874 608422330 /nfs/dbraw/zinc/42/23/30/608422330.db2.gz NDDFKHAOQKCZSS-LLVKDONJSA-N -1 3 375.379 3.328 20 0 GGADHM Cc1c(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cnn1C ZINC000826242556 608428481 /nfs/dbraw/zinc/42/84/81/608428481.db2.gz ULLYSHWUKDMEKA-UHFFFAOYSA-N -1 3 375.436 3.100 20 0 GGADHM Cc1c(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cnn1C ZINC000826242556 608428483 /nfs/dbraw/zinc/42/84/83/608428483.db2.gz ULLYSHWUKDMEKA-UHFFFAOYSA-N -1 3 375.436 3.100 20 0 GGADHM O=C(NOC1CCCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449722 608434419 /nfs/dbraw/zinc/43/44/19/608434419.db2.gz HCRLWHBRLSDXBU-UHFFFAOYSA-N -1 3 379.420 3.050 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423197 608437276 /nfs/dbraw/zinc/43/72/76/608437276.db2.gz CQTUPAYKADEEPI-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423197 608437277 /nfs/dbraw/zinc/43/72/77/608437277.db2.gz CQTUPAYKADEEPI-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM CCc1nc(Cl)c(C)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000825744413 608441277 /nfs/dbraw/zinc/44/12/77/608441277.db2.gz ADPBLZQDTCOGKQ-UHFFFAOYSA-N -1 3 381.871 3.475 20 0 GGADHM CCc1nc(Cl)c(C)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000825744413 608441279 /nfs/dbraw/zinc/44/12/79/608441279.db2.gz ADPBLZQDTCOGKQ-UHFFFAOYSA-N -1 3 381.871 3.475 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824755916 608441374 /nfs/dbraw/zinc/44/13/74/608441374.db2.gz MUOJUAOVOMXJDY-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824755916 608441375 /nfs/dbraw/zinc/44/13/75/608441375.db2.gz MUOJUAOVOMXJDY-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM CC(C)(C)n1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1C1CC1 ZINC000824152763 608442249 /nfs/dbraw/zinc/44/22/49/608442249.db2.gz MCPZISWGQRIBER-UHFFFAOYSA-N -1 3 384.415 3.192 20 0 GGADHM CC(C)(C)n1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1C1CC1 ZINC000824152763 608442251 /nfs/dbraw/zinc/44/22/51/608442251.db2.gz MCPZISWGQRIBER-UHFFFAOYSA-N -1 3 384.415 3.192 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(OCC(F)(F)F)cc1 ZINC000826466647 608442688 /nfs/dbraw/zinc/44/26/88/608442688.db2.gz NFEGFIYRUMMHDY-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(OCC(F)(F)F)cc1 ZINC000826466647 608442690 /nfs/dbraw/zinc/44/26/90/608442690.db2.gz NFEGFIYRUMMHDY-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826288307 608443555 /nfs/dbraw/zinc/44/35/55/608443555.db2.gz ANPBOMOGUIXDPB-NSHDSACASA-N -1 3 390.802 3.478 20 0 GGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826288307 608443557 /nfs/dbraw/zinc/44/35/57/608443557.db2.gz ANPBOMOGUIXDPB-NSHDSACASA-N -1 3 390.802 3.478 20 0 GGADHM Cc1ccccc1C1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCOCC1 ZINC000826306506 608445011 /nfs/dbraw/zinc/44/50/11/608445011.db2.gz BLTXSCHJLYRKJM-UHFFFAOYSA-N -1 3 396.422 3.106 20 0 GGADHM Cc1ccccc1C1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCOCC1 ZINC000826306506 608445012 /nfs/dbraw/zinc/44/50/12/608445012.db2.gz BLTXSCHJLYRKJM-UHFFFAOYSA-N -1 3 396.422 3.106 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccn(-c2cccc(Cl)c2)n1 ZINC000826466727 608445710 /nfs/dbraw/zinc/44/57/10/608445710.db2.gz QPZURZKBFXODMZ-UHFFFAOYSA-N -1 3 398.785 3.202 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccn(-c2cccc(Cl)c2)n1 ZINC000826466727 608445712 /nfs/dbraw/zinc/44/57/12/608445712.db2.gz QPZURZKBFXODMZ-UHFFFAOYSA-N -1 3 398.785 3.202 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccnc1SC(F)(F)F ZINC000826466802 608445886 /nfs/dbraw/zinc/44/58/86/608445886.db2.gz UMEHQAHXNIOMHB-UHFFFAOYSA-N -1 3 399.329 3.370 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccnc1SC(F)(F)F ZINC000826466802 608445888 /nfs/dbraw/zinc/44/58/88/608445888.db2.gz UMEHQAHXNIOMHB-UHFFFAOYSA-N -1 3 399.329 3.370 20 0 GGADHM CCN(CC)[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000825405530 608447661 /nfs/dbraw/zinc/44/76/61/608447661.db2.gz CLTXUZSRPRISPU-SFHVURJKSA-N -1 3 383.427 3.132 20 0 GGADHM CCN(CC)[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000825405530 608447663 /nfs/dbraw/zinc/44/76/63/608447663.db2.gz CLTXUZSRPRISPU-SFHVURJKSA-N -1 3 383.427 3.132 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000826272057 608448200 /nfs/dbraw/zinc/44/82/00/608448200.db2.gz RZZSPKQRFQCHLJ-UHFFFAOYSA-N -1 3 384.339 3.334 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000826272057 608448202 /nfs/dbraw/zinc/44/82/02/608448202.db2.gz RZZSPKQRFQCHLJ-UHFFFAOYSA-N -1 3 384.339 3.334 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826219831 608448498 /nfs/dbraw/zinc/44/84/98/608448498.db2.gz RWIXQQIBFLDVMJ-CYBMUJFWSA-N -1 3 384.411 3.327 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826219831 608448500 /nfs/dbraw/zinc/44/85/00/608448500.db2.gz RWIXQQIBFLDVMJ-CYBMUJFWSA-N -1 3 384.411 3.327 20 0 GGADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824392467 608449271 /nfs/dbraw/zinc/44/92/71/608449271.db2.gz OLJCLOJJOWVCGZ-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824392467 608449273 /nfs/dbraw/zinc/44/92/73/608449273.db2.gz OLJCLOJJOWVCGZ-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H]1CC(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H](C)O1 ZINC000824892146 608450601 /nfs/dbraw/zinc/45/06/01/608450601.db2.gz FFRAEXFPQUNHPJ-KBPBESRZSA-N -1 3 393.447 3.345 20 0 GGADHM C[C@H]1CC(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)O1 ZINC000824892146 608450603 /nfs/dbraw/zinc/45/06/03/608450603.db2.gz FFRAEXFPQUNHPJ-KBPBESRZSA-N -1 3 393.447 3.345 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C1CC(OCc2ccccc2)C1 ZINC000826466315 608450805 /nfs/dbraw/zinc/45/08/05/608450805.db2.gz XIUNJRUAITZIJO-UHFFFAOYSA-N -1 3 382.395 3.044 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C1CC(OCc2ccccc2)C1 ZINC000826466315 608450807 /nfs/dbraw/zinc/45/08/07/608450807.db2.gz XIUNJRUAITZIJO-UHFFFAOYSA-N -1 3 382.395 3.044 20 0 GGADHM CSCc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)ccc1F ZINC000826229274 608451258 /nfs/dbraw/zinc/45/12/58/608451258.db2.gz XXWBNLYXIGTSPE-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM CSCc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)ccc1F ZINC000826229274 608451260 /nfs/dbraw/zinc/45/12/60/608451260.db2.gz XXWBNLYXIGTSPE-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826406703 608451786 /nfs/dbraw/zinc/45/17/86/608451786.db2.gz JGUMOXWOMQGUDW-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826406703 608451787 /nfs/dbraw/zinc/45/17/87/608451787.db2.gz JGUMOXWOMQGUDW-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM CC(C)Oc1cc(CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)ccn1 ZINC000824319048 608452794 /nfs/dbraw/zinc/45/27/94/608452794.db2.gz DBFKYXHHAXPODU-UHFFFAOYSA-N -1 3 382.443 3.353 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1C1CC1 ZINC000825081525 608454937 /nfs/dbraw/zinc/45/49/37/608454937.db2.gz KTCZRKVSUNGQNQ-LLVKDONJSA-N -1 3 384.415 3.408 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1C1CC1 ZINC000825081525 608454938 /nfs/dbraw/zinc/45/49/38/608454938.db2.gz KTCZRKVSUNGQNQ-LLVKDONJSA-N -1 3 384.415 3.408 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc([C@H]2CCCOC2)c1 ZINC000826466808 608455490 /nfs/dbraw/zinc/45/54/90/608455490.db2.gz USZWBLRFCMSIQD-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc([C@H]2CCCOC2)c1 ZINC000826466808 608455491 /nfs/dbraw/zinc/45/54/91/608455491.db2.gz USZWBLRFCMSIQD-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000826395658 608455580 /nfs/dbraw/zinc/45/55/80/608455580.db2.gz NOMWHQZNBRXSNG-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1Cl ZINC000826395658 608455582 /nfs/dbraw/zinc/45/55/82/608455582.db2.gz NOMWHQZNBRXSNG-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000826253061 608456133 /nfs/dbraw/zinc/45/61/33/608456133.db2.gz DREAZCJKKVJSTF-UHFFFAOYSA-N -1 3 389.415 3.105 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000826253061 608456136 /nfs/dbraw/zinc/45/61/36/608456136.db2.gz DREAZCJKKVJSTF-UHFFFAOYSA-N -1 3 389.415 3.105 20 0 GGADHM CCCOc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825339175 608456161 /nfs/dbraw/zinc/45/61/61/608456161.db2.gz QCPNRWMNYCZJGX-HXUWFJFHSA-N -1 3 379.464 3.229 20 0 GGADHM Fc1cc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c2c(c1)COCO2 ZINC000826372572 608460492 /nfs/dbraw/zinc/46/04/92/608460492.db2.gz CSFNASZIZDIAOG-UHFFFAOYSA-N -1 3 393.422 3.162 20 0 GGADHM C[C@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824626669 608460951 /nfs/dbraw/zinc/46/09/51/608460951.db2.gz QTWHXXWROSDFJV-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM C[C@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626669 608460953 /nfs/dbraw/zinc/46/09/53/608460953.db2.gz QTWHXXWROSDFJV-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM c1ccc(-c2nnc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)o2)cc1 ZINC000823868344 608461260 /nfs/dbraw/zinc/46/12/60/608461260.db2.gz WZZXURDDMLRFQX-UHFFFAOYSA-N -1 3 385.431 3.206 20 0 GGADHM C[C@@H](C(=O)NC1CCC(C)CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824917046 608463253 /nfs/dbraw/zinc/46/32/53/608463253.db2.gz LLJRKXRCBRSKSH-NGEICVOHSA-N -1 3 394.523 3.039 20 0 GGADHM Brc1cncc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000823832005 608463387 /nfs/dbraw/zinc/46/33/87/608463387.db2.gz IHRLTEANMRUEGF-UHFFFAOYSA-N -1 3 397.280 3.314 20 0 GGADHM C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824778443 608463461 /nfs/dbraw/zinc/46/34/61/608463461.db2.gz OYDCRLXDGBHCSK-AWEZNQCLSA-N -1 3 399.458 3.366 20 0 GGADHM C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824778443 608463462 /nfs/dbraw/zinc/46/34/62/608463462.db2.gz OYDCRLXDGBHCSK-AWEZNQCLSA-N -1 3 399.458 3.366 20 0 GGADHM Cc1ccc(C)c(NC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826285202 608464108 /nfs/dbraw/zinc/46/41/08/608464108.db2.gz RXIHXRAZWOYEDF-UHFFFAOYSA-N -1 3 388.475 3.211 20 0 GGADHM CCS[C@@H](C)c1noc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000825669400 608466149 /nfs/dbraw/zinc/46/61/49/608466149.db2.gz XEBVCDLJVLGRTQ-ZDUSSCGKSA-N -1 3 397.508 3.353 20 0 GGADHM CCS[C@@H](C)c1noc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000825669400 608466151 /nfs/dbraw/zinc/46/61/51/608466151.db2.gz XEBVCDLJVLGRTQ-ZDUSSCGKSA-N -1 3 397.508 3.353 20 0 GGADHM Cc1sc2nc([C@@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)nc(N)c2c1C ZINC000826350488 608469663 /nfs/dbraw/zinc/46/96/63/608469663.db2.gz YPIHONDDFFASBR-GHMZBOCLSA-N -1 3 394.508 3.482 20 0 GGADHM CCc1csc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000825740391 608471956 /nfs/dbraw/zinc/47/19/56/608471956.db2.gz SZAUATRYHUSUES-UHFFFAOYSA-N -1 3 381.465 3.207 20 0 GGADHM CCc1csc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000825740391 608471957 /nfs/dbraw/zinc/47/19/57/608471957.db2.gz SZAUATRYHUSUES-UHFFFAOYSA-N -1 3 381.465 3.207 20 0 GGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826146190 608473247 /nfs/dbraw/zinc/47/32/47/608473247.db2.gz RLNUYISDJGTKIR-APWZRJJASA-N -1 3 393.447 3.204 20 0 GGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826146190 608473248 /nfs/dbraw/zinc/47/32/48/608473248.db2.gz RLNUYISDJGTKIR-APWZRJJASA-N -1 3 393.447 3.204 20 0 GGADHM CC(C)(C)SCCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824123953 608475313 /nfs/dbraw/zinc/47/53/13/608475313.db2.gz OCALUBHUHAUUTO-UHFFFAOYSA-N -1 3 378.498 3.489 20 0 GGADHM CC(C)(C)SCCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824123953 608475314 /nfs/dbraw/zinc/47/53/14/608475314.db2.gz OCALUBHUHAUUTO-UHFFFAOYSA-N -1 3 378.498 3.489 20 0 GGADHM CSc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccn1 ZINC000826230575 608476947 /nfs/dbraw/zinc/47/69/47/608476947.db2.gz ZZWGIYWIDAODAG-UHFFFAOYSA-N -1 3 383.481 3.426 20 0 GGADHM CSc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccn1 ZINC000826230575 608476949 /nfs/dbraw/zinc/47/69/49/608476949.db2.gz ZZWGIYWIDAODAG-UHFFFAOYSA-N -1 3 383.481 3.426 20 0 GGADHM COc1ccc(C)cc1CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826189891 608478857 /nfs/dbraw/zinc/47/88/57/608478857.db2.gz IKHHIFKFUHRAIT-UHFFFAOYSA-N -1 3 389.459 3.042 20 0 GGADHM COc1ccc(C)cc1CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826189891 608478859 /nfs/dbraw/zinc/47/88/59/608478859.db2.gz IKHHIFKFUHRAIT-UHFFFAOYSA-N -1 3 389.459 3.042 20 0 GGADHM Cc1nc(Cl)ccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826326421 608480323 /nfs/dbraw/zinc/48/03/23/608480323.db2.gz OWHVPOJCLOPRHS-UHFFFAOYSA-N -1 3 380.839 3.153 20 0 GGADHM Cc1nc(Cl)ccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826326421 608480328 /nfs/dbraw/zinc/48/03/28/608480328.db2.gz OWHVPOJCLOPRHS-UHFFFAOYSA-N -1 3 380.839 3.153 20 0 GGADHM CC(C)c1nc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000824358207 608481481 /nfs/dbraw/zinc/48/14/81/608481481.db2.gz BTIRHHVPOCWROD-UHFFFAOYSA-N -1 3 380.477 3.376 20 0 GGADHM CC(C)c1nc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000824358207 608481483 /nfs/dbraw/zinc/48/14/83/608481483.db2.gz BTIRHHVPOCWROD-UHFFFAOYSA-N -1 3 380.477 3.376 20 0 GGADHM CCc1ccc(-c2noc(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000825700838 608483999 /nfs/dbraw/zinc/48/39/99/608483999.db2.gz VPMDFLUMBMFSDP-CYBMUJFWSA-N -1 3 375.436 3.330 20 0 GGADHM CCc1ccc(-c2noc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000825700838 608484000 /nfs/dbraw/zinc/48/40/00/608484000.db2.gz VPMDFLUMBMFSDP-CYBMUJFWSA-N -1 3 375.436 3.330 20 0 GGADHM CC(C)Nc1ncccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824304595 608484357 /nfs/dbraw/zinc/48/43/57/608484357.db2.gz CCLNSJGGLZTTNH-UHFFFAOYSA-N -1 3 389.463 3.012 20 0 GGADHM CC(C)Nc1ncccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824304595 608484359 /nfs/dbraw/zinc/48/43/59/608484359.db2.gz CCLNSJGGLZTTNH-UHFFFAOYSA-N -1 3 389.463 3.012 20 0 GGADHM Cc1cc(F)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000826268223 608485126 /nfs/dbraw/zinc/48/51/26/608485126.db2.gz OUKWLWJQQYFGRK-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM Cc1cc(F)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826268223 608485127 /nfs/dbraw/zinc/48/51/27/608485127.db2.gz OUKWLWJQQYFGRK-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM COc1cc(-c2noc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)ccc1C ZINC000826176635 608486425 /nfs/dbraw/zinc/48/64/25/608486425.db2.gz XGMUFXIQEHQRGN-ZDUSSCGKSA-N -1 3 391.435 3.085 20 0 GGADHM COc1cc(-c2noc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)ccc1C ZINC000826176635 608486427 /nfs/dbraw/zinc/48/64/27/608486427.db2.gz XGMUFXIQEHQRGN-ZDUSSCGKSA-N -1 3 391.435 3.085 20 0 GGADHM COc1cccc([C@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826214616 608486577 /nfs/dbraw/zinc/48/65/77/608486577.db2.gz RCTBVDLOQCKPJB-HNNXBMFYSA-N -1 3 389.459 3.295 20 0 GGADHM COc1cccc([C@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826214616 608486579 /nfs/dbraw/zinc/48/65/79/608486579.db2.gz RCTBVDLOQCKPJB-HNNXBMFYSA-N -1 3 389.459 3.295 20 0 GGADHM O=C(c1ccc2c(n1)CCCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473846 608487173 /nfs/dbraw/zinc/48/71/73/608487173.db2.gz QTERIVOGJIUAIJ-UHFFFAOYSA-N -1 3 386.459 3.070 20 0 GGADHM O=C(c1ccc2c(n1)CCCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473846 608487174 /nfs/dbraw/zinc/48/71/74/608487174.db2.gz QTERIVOGJIUAIJ-UHFFFAOYSA-N -1 3 386.459 3.070 20 0 GGADHM O=C(CCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000826404623 608488982 /nfs/dbraw/zinc/48/89/82/608488982.db2.gz HEXLHUPWZCLWAU-UHFFFAOYSA-N -1 3 387.443 3.146 20 0 GGADHM O=C(CCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000826404623 608488983 /nfs/dbraw/zinc/48/89/83/608488983.db2.gz HEXLHUPWZCLWAU-UHFFFAOYSA-N -1 3 387.443 3.146 20 0 GGADHM O=C(CCSc1ccccn1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826407774 608489059 /nfs/dbraw/zinc/48/90/59/608489059.db2.gz AISSVZKYRLOFRY-UHFFFAOYSA-N -1 3 392.488 3.060 20 0 GGADHM O=C(CCSc1ccccn1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826407774 608489061 /nfs/dbraw/zinc/48/90/61/608489061.db2.gz AISSVZKYRLOFRY-UHFFFAOYSA-N -1 3 392.488 3.060 20 0 GGADHM C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824627308 608490000 /nfs/dbraw/zinc/49/00/00/608490000.db2.gz WQMYYYILISWUKP-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627308 608490001 /nfs/dbraw/zinc/49/00/01/608490001.db2.gz WQMYYYILISWUKP-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)o1 ZINC000824900050 608518818 /nfs/dbraw/zinc/51/88/18/608518818.db2.gz SCSHJNGYYJPPJU-UGSOOPFHSA-N -1 3 389.463 3.395 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C2CC2)o1 ZINC000824900050 608518820 /nfs/dbraw/zinc/51/88/20/608518820.db2.gz SCSHJNGYYJPPJU-UGSOOPFHSA-N -1 3 389.463 3.395 20 0 GGADHM Clc1ccc(C2(NCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CC2)cc1 ZINC000826351467 608524899 /nfs/dbraw/zinc/52/48/99/608524899.db2.gz NRADCSAAMQWUQJ-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1ccc(C2(NCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CC2)cc1 ZINC000826351467 608524900 /nfs/dbraw/zinc/52/49/00/608524900.db2.gz NRADCSAAMQWUQJ-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1ccc(C2(NCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CC2)cc1 ZINC000826351560 608524927 /nfs/dbraw/zinc/52/49/27/608524927.db2.gz RAWKGHYEMKSRNM-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1ccc(C2(NCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CC2)cc1 ZINC000826351560 608524929 /nfs/dbraw/zinc/52/49/29/608524929.db2.gz RAWKGHYEMKSRNM-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826349553 608528095 /nfs/dbraw/zinc/52/80/95/608528095.db2.gz MEAOFOKCNZVTRA-SECBINFHSA-N -1 3 392.435 3.113 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2ccc(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000826349553 608528096 /nfs/dbraw/zinc/52/80/96/608528096.db2.gz MEAOFOKCNZVTRA-SECBINFHSA-N -1 3 392.435 3.113 20 0 GGADHM CCc1ccc(-c2noc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)n2)cc1 ZINC000825704463 608528724 /nfs/dbraw/zinc/52/87/24/608528724.db2.gz JETUTDRXMSZFIW-UHFFFAOYSA-N -1 3 387.447 3.258 20 0 GGADHM CCc1ccc(-c2noc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)n2)cc1 ZINC000825704463 608528725 /nfs/dbraw/zinc/52/87/25/608528725.db2.gz JETUTDRXMSZFIW-UHFFFAOYSA-N -1 3 387.447 3.258 20 0 GGADHM CC(C)(C)Oc1cccc(CSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824123932 608528963 /nfs/dbraw/zinc/52/89/63/608528963.db2.gz NJEVLHBZNNOHNU-UHFFFAOYSA-N -1 3 398.492 3.311 20 0 GGADHM CC(C)(C)Oc1cccc(CSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824123932 608528961 /nfs/dbraw/zinc/52/89/61/608528961.db2.gz NJEVLHBZNNOHNU-UHFFFAOYSA-N -1 3 398.492 3.311 20 0 GGADHM C[C@H](c1ccccc1Cl)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824772992 608529527 /nfs/dbraw/zinc/52/95/27/608529527.db2.gz XLJWFUZLKUUTQL-CYBMUJFWSA-N -1 3 388.928 3.460 20 0 GGADHM C[C@H](c1ccccc1Cl)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000824772992 608529528 /nfs/dbraw/zinc/52/95/28/608529528.db2.gz XLJWFUZLKUUTQL-CYBMUJFWSA-N -1 3 388.928 3.460 20 0 GGADHM Fc1cccc(F)c1-n1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000826377539 608529822 /nfs/dbraw/zinc/52/98/22/608529822.db2.gz WKPUEKVZRXNDAR-UHFFFAOYSA-N -1 3 393.401 3.110 20 0 GGADHM c1ccc(Oc2ccc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)nn2)cc1 ZINC000826522457 608534879 /nfs/dbraw/zinc/53/48/79/608534879.db2.gz BOZPGRUIZNFQNW-UHFFFAOYSA-N -1 3 385.431 3.228 20 0 GGADHM Clc1cccc(C2(NCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CC2)c1 ZINC000826353106 608537002 /nfs/dbraw/zinc/53/70/02/608537002.db2.gz BGTLAGMULLACLR-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1cccc(C2(NCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CC2)c1 ZINC000826353106 608537003 /nfs/dbraw/zinc/53/70/03/608537003.db2.gz BGTLAGMULLACLR-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM CCc1ccnc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1 ZINC000825728423 608539872 /nfs/dbraw/zinc/53/98/72/608539872.db2.gz OTONULUZBQUPCY-UHFFFAOYSA-N -1 3 390.369 3.029 20 0 GGADHM CCc1ccnc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c1 ZINC000825728423 608539874 /nfs/dbraw/zinc/53/98/74/608539874.db2.gz OTONULUZBQUPCY-UHFFFAOYSA-N -1 3 390.369 3.029 20 0 GGADHM Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1-c1ccccc1 ZINC000826366117 608547002 /nfs/dbraw/zinc/54/70/02/608547002.db2.gz SXRLCGCHPKKYPG-UHFFFAOYSA-N -1 3 379.811 3.173 20 0 GGADHM Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1-c1ccccc1 ZINC000826366117 608547004 /nfs/dbraw/zinc/54/70/04/608547004.db2.gz SXRLCGCHPKKYPG-UHFFFAOYSA-N -1 3 379.811 3.173 20 0 GGADHM CN1C(=O)C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826010443 608553482 /nfs/dbraw/zinc/55/34/82/608553482.db2.gz JDMPETRGGHDXIT-DOTOQJQBSA-N -1 3 386.818 3.043 20 0 GGADHM CN1C(=O)C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010443 608553484 /nfs/dbraw/zinc/55/34/84/608553484.db2.gz JDMPETRGGHDXIT-DOTOQJQBSA-N -1 3 386.818 3.043 20 0 GGADHM CC(C)c1nsc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000824371337 608556289 /nfs/dbraw/zinc/55/62/89/608556289.db2.gz AQHNBRVCDYGJJN-UHFFFAOYSA-N -1 3 386.485 3.039 20 0 GGADHM CC(C)c1nsc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000824371337 608556292 /nfs/dbraw/zinc/55/62/92/608556292.db2.gz AQHNBRVCDYGJJN-UHFFFAOYSA-N -1 3 386.485 3.039 20 0 GGADHM CC(C)Cn1ncc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1C1CC1 ZINC000824285025 608568048 /nfs/dbraw/zinc/56/80/48/608568048.db2.gz SWVVSXQIQABONG-UHFFFAOYSA-N -1 3 384.415 3.093 20 0 GGADHM CC(C)Cn1ncc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1C1CC1 ZINC000824285025 608568050 /nfs/dbraw/zinc/56/80/50/608568050.db2.gz SWVVSXQIQABONG-UHFFFAOYSA-N -1 3 384.415 3.093 20 0 GGADHM CC(C)Cn1ncc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1C1CC1 ZINC000824284874 608568194 /nfs/dbraw/zinc/56/81/94/608568194.db2.gz QGIHOOSCOPYZMH-UHFFFAOYSA-N -1 3 384.415 3.093 20 0 GGADHM CC(C)Cn1ncc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1C1CC1 ZINC000824284874 608568196 /nfs/dbraw/zinc/56/81/96/608568196.db2.gz QGIHOOSCOPYZMH-UHFFFAOYSA-N -1 3 384.415 3.093 20 0 GGADHM COc1ccc(Cl)cc1C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826208717 608569712 /nfs/dbraw/zinc/56/97/12/608569712.db2.gz XIOWWTKFJJAUFR-UHFFFAOYSA-N -1 3 384.827 3.055 20 0 GGADHM COc1ccc(Cl)cc1C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826208717 608569714 /nfs/dbraw/zinc/56/97/14/608569714.db2.gz XIOWWTKFJJAUFR-UHFFFAOYSA-N -1 3 384.827 3.055 20 0 GGADHM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459164 608574462 /nfs/dbraw/zinc/57/44/62/608574462.db2.gz XUMWKKYWPNLFTP-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459164 608574463 /nfs/dbraw/zinc/57/44/63/608574463.db2.gz XUMWKKYWPNLFTP-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C ZINC000825576875 608575064 /nfs/dbraw/zinc/57/50/64/608575064.db2.gz PFVAXOASGSEFOS-UHFFFAOYSA-N -1 3 391.840 3.319 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C ZINC000825576875 608575065 /nfs/dbraw/zinc/57/50/65/608575065.db2.gz PFVAXOASGSEFOS-UHFFFAOYSA-N -1 3 391.840 3.319 20 0 GGADHM Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CC2)c1C ZINC000826298591 608575936 /nfs/dbraw/zinc/57/59/36/608575936.db2.gz AENOENRGUKXAKX-UHFFFAOYSA-N -1 3 396.882 3.099 20 0 GGADHM Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CC2)c1C ZINC000826298591 608575939 /nfs/dbraw/zinc/57/59/39/608575939.db2.gz AENOENRGUKXAKX-UHFFFAOYSA-N -1 3 396.882 3.099 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccccc1)CC(F)F ZINC000826472526 608577294 /nfs/dbraw/zinc/57/72/94/608577294.db2.gz NFTFSBNCRVCGHW-UHFFFAOYSA-N -1 3 377.782 3.428 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)CC(F)F ZINC000826472526 608577296 /nfs/dbraw/zinc/57/72/96/608577296.db2.gz NFTFSBNCRVCGHW-UHFFFAOYSA-N -1 3 377.782 3.428 20 0 GGADHM c1csc([C@@H](NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)c1 ZINC000826525970 608577558 /nfs/dbraw/zinc/57/75/58/608577558.db2.gz GNAXNDWEPFTQES-INIZCTEOSA-N -1 3 379.449 3.219 20 0 GGADHM c1csc([C@@H](NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CC2)c1 ZINC000826525970 608577559 /nfs/dbraw/zinc/57/75/59/608577559.db2.gz GNAXNDWEPFTQES-INIZCTEOSA-N -1 3 379.449 3.219 20 0 GGADHM C[C@@H](OC(=O)c1csc(-c2ncccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824730558 608587383 /nfs/dbraw/zinc/58/73/83/608587383.db2.gz OSZUFHVPBFISCU-SNVBAGLBSA-N -1 3 396.407 3.442 20 0 GGADHM C[C@@H](OC(=O)c1csc(-c2ncccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824730558 608587384 /nfs/dbraw/zinc/58/73/84/608587384.db2.gz OSZUFHVPBFISCU-SNVBAGLBSA-N -1 3 396.407 3.442 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826422174 608588787 /nfs/dbraw/zinc/58/87/87/608588787.db2.gz OXLDNXHDMVNBBV-HNNXBMFYSA-N -1 3 393.344 3.358 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826422174 608588789 /nfs/dbraw/zinc/58/87/89/608588789.db2.gz OXLDNXHDMVNBBV-HNNXBMFYSA-N -1 3 393.344 3.358 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000825961360 608593430 /nfs/dbraw/zinc/59/34/30/608593430.db2.gz DLTZHUAAMQBIEN-UKRRQHHQSA-N -1 3 396.303 3.325 20 0 GGADHM Cc1nn(C)cc1CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826334136 608612877 /nfs/dbraw/zinc/61/28/77/608612877.db2.gz JIGCCNQNTKKLGD-UHFFFAOYSA-N -1 3 391.454 3.250 20 0 GGADHM COc1ccc([C@@H]2CCCN2Cc2cccc(-c3nnn[n-]3)c2F)c(OC)c1 ZINC000826190406 608644950 /nfs/dbraw/zinc/64/49/50/608644950.db2.gz ZZMLZOAKZFGYAL-KRWDZBQOSA-N -1 3 383.427 3.360 20 0 GGADHM Fc1c(CSc2nnc(NCc3ccco3)s2)cccc1-c1nnn[n-]1 ZINC000826371876 608670188 /nfs/dbraw/zinc/67/01/88/608670188.db2.gz XNPJXTFWJFHHNG-UHFFFAOYSA-N -1 3 389.441 3.355 20 0 GGADHM Fc1c(CSc2nnc(NCc3ccco3)s2)cccc1-c1nn[n-]n1 ZINC000826371876 608670189 /nfs/dbraw/zinc/67/01/89/608670189.db2.gz XNPJXTFWJFHHNG-UHFFFAOYSA-N -1 3 389.441 3.355 20 0 GGADHM CCCCOc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825290624 608671091 /nfs/dbraw/zinc/67/10/91/608671091.db2.gz BTUJAFFGUGAYNL-UHFFFAOYSA-N -1 3 382.420 3.411 20 0 GGADHM CCCCOc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825290624 608671092 /nfs/dbraw/zinc/67/10/92/608671092.db2.gz BTUJAFFGUGAYNL-UHFFFAOYSA-N -1 3 382.420 3.411 20 0 GGADHM COc1ccc(F)cc1NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826209091 608672045 /nfs/dbraw/zinc/67/20/45/608672045.db2.gz MEFOVLSPAWQONE-QGZVFWFLSA-N -1 3 385.399 3.057 20 0 GGADHM COc1ccc(F)cc1NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826209091 608672048 /nfs/dbraw/zinc/67/20/48/608672048.db2.gz MEFOVLSPAWQONE-QGZVFWFLSA-N -1 3 385.399 3.057 20 0 GGADHM C[C@H]1OCCN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)[C@@H]1C ZINC000825019591 608700887 /nfs/dbraw/zinc/70/08/87/608700887.db2.gz FRNXXXIAQVPFDX-HZPDHXFCSA-N -1 3 379.464 3.055 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000536688448 608755449 /nfs/dbraw/zinc/75/54/49/608755449.db2.gz ZFYWABFRHHDQHE-QGZVFWFLSA-N -1 3 385.855 3.240 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000536688448 608755453 /nfs/dbraw/zinc/75/54/53/608755453.db2.gz ZFYWABFRHHDQHE-QGZVFWFLSA-N -1 3 385.855 3.240 20 0 GGADHM Fc1cc([C@@H]2CN(c3cnccc3-c3nnn[n-]3)CCO2)c(Cl)cc1Cl ZINC000826372509 608782083 /nfs/dbraw/zinc/78/20/83/608782083.db2.gz ZSKQTZVQUIURFK-HNNXBMFYSA-N -1 3 395.225 3.286 20 0 GGADHM Fc1cc([C@@H]2CN(c3cnccc3-c3nn[n-]n3)CCO2)c(Cl)cc1Cl ZINC000826372509 608782084 /nfs/dbraw/zinc/78/20/84/608782084.db2.gz ZSKQTZVQUIURFK-HNNXBMFYSA-N -1 3 395.225 3.286 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000824114531 608790924 /nfs/dbraw/zinc/79/09/24/608790924.db2.gz WVHFZOMHIRGXFQ-UHFFFAOYSA-N -1 3 381.440 3.263 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000824114531 608790925 /nfs/dbraw/zinc/79/09/25/608790925.db2.gz WVHFZOMHIRGXFQ-UHFFFAOYSA-N -1 3 381.440 3.263 20 0 GGADHM CC(C)(C)OC(=O)C1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824092953 608797731 /nfs/dbraw/zinc/79/77/31/608797731.db2.gz CFQNFTQXNJPEAB-UHFFFAOYSA-N -1 3 378.864 3.228 20 0 GGADHM CC(C)(C)OC(=O)C1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824092953 608797733 /nfs/dbraw/zinc/79/77/33/608797733.db2.gz CFQNFTQXNJPEAB-UHFFFAOYSA-N -1 3 378.864 3.228 20 0 GGADHM CC(C)(C)OC(=O)C1CCC(Nc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000824094039 608800400 /nfs/dbraw/zinc/80/04/00/608800400.db2.gz PWGBRKICNGBEJZ-UHFFFAOYSA-N -1 3 379.411 3.457 20 0 GGADHM CC(C)(C)OC(=O)C1CCC(Nc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000824094039 608800401 /nfs/dbraw/zinc/80/04/01/608800401.db2.gz PWGBRKICNGBEJZ-UHFFFAOYSA-N -1 3 379.411 3.457 20 0 GGADHM CCc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000825712636 608819542 /nfs/dbraw/zinc/81/95/42/608819542.db2.gz SYLNLLSLLPZBCG-LJQANCHMSA-N -1 3 392.463 3.343 20 0 GGADHM CCc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1C ZINC000825712636 608819545 /nfs/dbraw/zinc/81/95/45/608819545.db2.gz SYLNLLSLLPZBCG-LJQANCHMSA-N -1 3 392.463 3.343 20 0 GGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825011987 608825463 /nfs/dbraw/zinc/82/54/63/608825463.db2.gz BTTPQMGOFCDEEC-ZJUUUORDSA-N -1 3 386.818 3.202 20 0 GGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825011987 608825465 /nfs/dbraw/zinc/82/54/65/608825465.db2.gz BTTPQMGOFCDEEC-ZJUUUORDSA-N -1 3 386.818 3.202 20 0 GGADHM O=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000371401725 608881538 /nfs/dbraw/zinc/88/15/38/608881538.db2.gz RGJHGPQCKNAPDN-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000371401725 608881539 /nfs/dbraw/zinc/88/15/39/608881539.db2.gz RGJHGPQCKNAPDN-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824528506 609133147 /nfs/dbraw/zinc/13/31/47/609133147.db2.gz ASSITDJURBVBHZ-AUUYWEPGSA-N -1 3 394.454 3.020 20 0 GGADHM CCCCCC[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825270921 609133916 /nfs/dbraw/zinc/13/39/16/609133916.db2.gz FDVLUQZVHGQPHN-CRAIPNDOSA-N -1 3 398.511 3.085 20 0 GGADHM CCCCCC[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825270921 609133917 /nfs/dbraw/zinc/13/39/17/609133917.db2.gz FDVLUQZVHGQPHN-CRAIPNDOSA-N -1 3 398.511 3.085 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(Cl)c1 ZINC000539676734 609135791 /nfs/dbraw/zinc/13/57/91/609135791.db2.gz IOVYNMNZYIYRJW-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(Cl)c1 ZINC000539676734 609135794 /nfs/dbraw/zinc/13/57/94/609135794.db2.gz IOVYNMNZYIYRJW-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000824727602 609136653 /nfs/dbraw/zinc/13/66/53/609136653.db2.gz CCBMBENVOLXDNE-KTVHGJBKSA-N -1 3 389.459 3.338 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000824753103 609138472 /nfs/dbraw/zinc/13/84/72/609138472.db2.gz CHCYOUFLMMSNBA-LLVKDONJSA-N -1 3 394.822 3.474 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000824753103 609138474 /nfs/dbraw/zinc/13/84/74/609138474.db2.gz CHCYOUFLMMSNBA-LLVKDONJSA-N -1 3 394.822 3.474 20 0 GGADHM COc1ccc(-n2ccc(CN[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)n2)cc1 ZINC000826187077 609141716 /nfs/dbraw/zinc/14/17/16/609141716.db2.gz YVRMUEJUVHERNL-CYBMUJFWSA-N -1 3 393.426 3.051 20 0 GGADHM COc1ccc(-n2ccc(CN[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)n2)cc1 ZINC000826187077 609141718 /nfs/dbraw/zinc/14/17/18/609141718.db2.gz YVRMUEJUVHERNL-CYBMUJFWSA-N -1 3 393.426 3.051 20 0 GGADHM Cc1nnc(-c2ccccc2C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826335651 609145270 /nfs/dbraw/zinc/14/52/70/609145270.db2.gz WCYOZHUTRJWKGX-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM Cc1nnc(-c2ccccc2C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826335651 609145272 /nfs/dbraw/zinc/14/52/72/609145272.db2.gz WCYOZHUTRJWKGX-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM COc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)cc2OC)C(F)(F)F)cc1 ZINC000826188556 609149926 /nfs/dbraw/zinc/14/99/26/609149926.db2.gz APPWOTFOCYRKLJ-INIZCTEOSA-N -1 3 393.369 3.277 20 0 GGADHM COc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2OC)C(F)(F)F)cc1 ZINC000826188556 609149927 /nfs/dbraw/zinc/14/99/27/609149927.db2.gz APPWOTFOCYRKLJ-INIZCTEOSA-N -1 3 393.369 3.277 20 0 GGADHM COc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826211206 609150236 /nfs/dbraw/zinc/15/02/36/609150236.db2.gz UBCJUGYLECLJNV-SNVBAGLBSA-N -1 3 393.369 3.467 20 0 GGADHM Cc1c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)[nH]c2c1C(=O)CCC2 ZINC000826234748 609155346 /nfs/dbraw/zinc/15/53/46/609155346.db2.gz LZKHVHJPOUQZSY-UHFFFAOYSA-N -1 3 385.811 3.033 20 0 GGADHM Cc1c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)[nH]c2c1C(=O)CCC2 ZINC000826234748 609155348 /nfs/dbraw/zinc/15/53/48/609155348.db2.gz LZKHVHJPOUQZSY-UHFFFAOYSA-N -1 3 385.811 3.033 20 0 GGADHM COC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)c(F)c1 ZINC000826150865 609156071 /nfs/dbraw/zinc/15/60/71/609156071.db2.gz NKVLGDKSYQMSOB-BTDLBPIBSA-N -1 3 377.370 3.322 20 0 GGADHM COC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)c(F)c1 ZINC000826150865 609156072 /nfs/dbraw/zinc/15/60/72/609156072.db2.gz NKVLGDKSYQMSOB-BTDLBPIBSA-N -1 3 377.370 3.322 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1ccccc1SC ZINC000826167781 609156583 /nfs/dbraw/zinc/15/65/83/609156583.db2.gz QTMUCXORSMVZDQ-UHFFFAOYSA-N -1 3 390.852 3.399 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1ccccc1SC ZINC000826167781 609156584 /nfs/dbraw/zinc/15/65/84/609156584.db2.gz QTMUCXORSMVZDQ-UHFFFAOYSA-N -1 3 390.852 3.399 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825234028 609162589 /nfs/dbraw/zinc/16/25/89/609162589.db2.gz VITCDLJLTXJUQG-IFXJQAMLSA-N -1 3 393.495 3.402 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825234028 609162591 /nfs/dbraw/zinc/16/25/91/609162591.db2.gz VITCDLJLTXJUQG-IFXJQAMLSA-N -1 3 393.495 3.402 20 0 GGADHM C[C@H]1C[C@@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC(C)(C)C1 ZINC000824865432 609162889 /nfs/dbraw/zinc/16/28/89/609162889.db2.gz INOQTHFIJBHQIK-XJKSGUPXSA-N -1 3 393.495 3.335 20 0 GGADHM C[C@H]1C[C@@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC(C)(C)C1 ZINC000824865432 609162891 /nfs/dbraw/zinc/16/28/91/609162891.db2.gz INOQTHFIJBHQIK-XJKSGUPXSA-N -1 3 393.495 3.335 20 0 GGADHM CC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1C ZINC000824024578 609164008 /nfs/dbraw/zinc/16/40/08/609164008.db2.gz KKTOABVOEFUIEV-UHFFFAOYSA-N -1 3 376.342 3.404 20 0 GGADHM CC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1C ZINC000824024578 609164009 /nfs/dbraw/zinc/16/40/09/609164009.db2.gz KKTOABVOEFUIEV-UHFFFAOYSA-N -1 3 376.342 3.404 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826233460 609167825 /nfs/dbraw/zinc/16/78/25/609167825.db2.gz ICIKNSOYEWTGHY-SWLSCSKDSA-N -1 3 380.452 3.028 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826233460 609167827 /nfs/dbraw/zinc/16/78/27/609167827.db2.gz ICIKNSOYEWTGHY-SWLSCSKDSA-N -1 3 380.452 3.028 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826233792 609168340 /nfs/dbraw/zinc/16/83/40/609168340.db2.gz WFJVMPGYGKUMIE-SJCJKPOMSA-N -1 3 392.463 3.218 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826233792 609168341 /nfs/dbraw/zinc/16/83/41/609168341.db2.gz WFJVMPGYGKUMIE-SJCJKPOMSA-N -1 3 392.463 3.218 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826233655 609168349 /nfs/dbraw/zinc/16/83/49/609168349.db2.gz QHKCQZOPLGHKHN-JTQLQIEISA-N -1 3 378.358 3.411 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826233655 609168350 /nfs/dbraw/zinc/16/83/50/609168350.db2.gz QHKCQZOPLGHKHN-JTQLQIEISA-N -1 3 378.358 3.411 20 0 GGADHM CCc1nnc(N[C@@H]2CCCc3cn(C(C)C)nc32)c(-c2nnn[n-]2)c1CC ZINC000825766734 609172533 /nfs/dbraw/zinc/17/25/33/609172533.db2.gz CIMQOLYXKOXGRH-OAHLLOKOSA-N -1 3 381.488 3.048 20 0 GGADHM CCc1nnc(N[C@@H]2CCCc3cn(C(C)C)nc32)c(-c2nn[n-]n2)c1CC ZINC000825766734 609172536 /nfs/dbraw/zinc/17/25/36/609172536.db2.gz CIMQOLYXKOXGRH-OAHLLOKOSA-N -1 3 381.488 3.048 20 0 GGADHM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662194 609173183 /nfs/dbraw/zinc/17/31/83/609173183.db2.gz FLTBPSDLWAWRSJ-ZDUSSCGKSA-N -1 3 380.427 3.301 20 0 GGADHM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662194 609173185 /nfs/dbraw/zinc/17/31/85/609173185.db2.gz FLTBPSDLWAWRSJ-ZDUSSCGKSA-N -1 3 380.427 3.301 20 0 GGADHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)CCN1c1ccc(F)c(Cl)c1 ZINC000826477357 609173507 /nfs/dbraw/zinc/17/35/07/609173507.db2.gz AVBCTFWOIWQSKC-HNNXBMFYSA-N -1 3 390.781 3.016 20 0 GGADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(F)c1 ZINC000824019897 609175447 /nfs/dbraw/zinc/17/54/47/609175447.db2.gz TYJJPQVTFUHFNI-UHFFFAOYSA-N -1 3 383.383 3.248 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1c(C)cccc1CC ZINC000825480547 609177239 /nfs/dbraw/zinc/17/72/39/609177239.db2.gz BHILKIGLHWJCDZ-UHFFFAOYSA-N -1 3 379.468 3.220 20 0 GGADHM CCC[C@H](NC(=O)CNc1cc(-c2nn[n-]n2)ccc1NCC)c1ccccc1 ZINC000825242074 609177355 /nfs/dbraw/zinc/17/73/55/609177355.db2.gz HTLNEPUKUNTJJC-KRWDZBQOSA-N -1 3 393.495 3.368 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)nn1-c1ccc(F)cc1 ZINC000826278583 609180998 /nfs/dbraw/zinc/18/09/98/609180998.db2.gz KDMFJXGTNQTHBK-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)nn1-c1ccc(F)cc1 ZINC000826278583 609180999 /nfs/dbraw/zinc/18/09/99/609180999.db2.gz KDMFJXGTNQTHBK-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455330 609182602 /nfs/dbraw/zinc/18/26/02/609182602.db2.gz JSAOPNOXCLHWJR-LJQANCHMSA-N -1 3 387.399 3.331 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455330 609182603 /nfs/dbraw/zinc/18/26/03/609182603.db2.gz JSAOPNOXCLHWJR-LJQANCHMSA-N -1 3 387.399 3.331 20 0 GGADHM CSc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826230978 609184312 /nfs/dbraw/zinc/18/43/12/609184312.db2.gz RGFBABDXYFAFPU-UHFFFAOYSA-N -1 3 391.403 3.371 20 0 GGADHM CSc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826230978 609184313 /nfs/dbraw/zinc/18/43/13/609184313.db2.gz RGFBABDXYFAFPU-UHFFFAOYSA-N -1 3 391.403 3.371 20 0 GGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826453652 609184372 /nfs/dbraw/zinc/18/43/72/609184372.db2.gz UJQPCCKMPBDHRD-CYBMUJFWSA-N -1 3 397.744 3.211 20 0 GGADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826453652 609184373 /nfs/dbraw/zinc/18/43/73/609184373.db2.gz UJQPCCKMPBDHRD-CYBMUJFWSA-N -1 3 397.744 3.211 20 0 GGADHM O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457004 609184479 /nfs/dbraw/zinc/18/44/79/609184479.db2.gz IDVWSCAZJQCWGD-IBGZPJMESA-N -1 3 387.399 3.331 20 0 GGADHM O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457004 609184481 /nfs/dbraw/zinc/18/44/81/609184481.db2.gz IDVWSCAZJQCWGD-IBGZPJMESA-N -1 3 387.399 3.331 20 0 GGADHM C[C@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824491330 609184577 /nfs/dbraw/zinc/18/45/77/609184577.db2.gz TURIRUFPYGYTQZ-JTQLQIEISA-N -1 3 390.369 3.187 20 0 GGADHM C[C@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824491330 609184578 /nfs/dbraw/zinc/18/45/78/609184578.db2.gz TURIRUFPYGYTQZ-JTQLQIEISA-N -1 3 390.369 3.187 20 0 GGADHM O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826433416 609191273 /nfs/dbraw/zinc/19/12/73/609191273.db2.gz FTVYLSKUTKPRRA-QGZVFWFLSA-N -1 3 397.442 3.238 20 0 GGADHM O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826433416 609191275 /nfs/dbraw/zinc/19/12/75/609191275.db2.gz FTVYLSKUTKPRRA-QGZVFWFLSA-N -1 3 397.442 3.238 20 0 GGADHM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434795 609194929 /nfs/dbraw/zinc/19/49/29/609194929.db2.gz FPFHDNKVRVOKES-FQEVSTJZSA-N -1 3 387.443 3.102 20 0 GGADHM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434795 609194930 /nfs/dbraw/zinc/19/49/30/609194930.db2.gz FPFHDNKVRVOKES-FQEVSTJZSA-N -1 3 387.443 3.102 20 0 GGADHM CC(C)c1ccc(OC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824348042 609197589 /nfs/dbraw/zinc/19/75/89/609197589.db2.gz XTLMLKOYJQQUBF-UHFFFAOYSA-N -1 3 380.452 3.002 20 0 GGADHM CC(C)c1ccc(OC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824348042 609197591 /nfs/dbraw/zinc/19/75/91/609197591.db2.gz XTLMLKOYJQQUBF-UHFFFAOYSA-N -1 3 380.452 3.002 20 0 GGADHM CC(C)(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824158559 609204933 /nfs/dbraw/zinc/20/49/33/609204933.db2.gz XTKOCOJFOVLIHY-UHFFFAOYSA-N -1 3 379.251 3.209 20 0 GGADHM CC(C)(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824158559 609204935 /nfs/dbraw/zinc/20/49/35/609204935.db2.gz XTKOCOJFOVLIHY-UHFFFAOYSA-N -1 3 379.251 3.209 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)c1ccccc1 ZINC000826396659 609209617 /nfs/dbraw/zinc/20/96/17/609209617.db2.gz HBAOCVSJQFXGIE-FQEVSTJZSA-N -1 3 385.427 3.134 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)c1ccccc1 ZINC000826396659 609209618 /nfs/dbraw/zinc/20/96/18/609209618.db2.gz HBAOCVSJQFXGIE-FQEVSTJZSA-N -1 3 385.427 3.134 20 0 GGADHM CCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000825366860 609210813 /nfs/dbraw/zinc/21/08/13/609210813.db2.gz HCBLHGVNFKFGGW-YJYMSZOUSA-N -1 3 391.431 3.256 20 0 GGADHM CCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000825366860 609210815 /nfs/dbraw/zinc/21/08/15/609210815.db2.gz HCBLHGVNFKFGGW-YJYMSZOUSA-N -1 3 391.431 3.256 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000826397071 609211206 /nfs/dbraw/zinc/21/12/06/609211206.db2.gz UAEJTFONOHHCNJ-NRFANRHFSA-N -1 3 399.454 3.245 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000826397071 609211208 /nfs/dbraw/zinc/21/12/08/609211208.db2.gz UAEJTFONOHHCNJ-NRFANRHFSA-N -1 3 399.454 3.245 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc(O)c(OCC)c1 ZINC000825616119 609211927 /nfs/dbraw/zinc/21/19/27/609211927.db2.gz XGOUVOKTAGEPKQ-UXBLZVDNSA-N -1 3 395.419 3.022 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(O)c(OCC)c1 ZINC000825616119 609211929 /nfs/dbraw/zinc/21/19/29/609211929.db2.gz XGOUVOKTAGEPKQ-UXBLZVDNSA-N -1 3 395.419 3.022 20 0 GGADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826316142 609216341 /nfs/dbraw/zinc/21/63/41/609216341.db2.gz DTOHAZOYNDLVTH-HNNXBMFYSA-N -1 3 378.461 3.279 20 0 GGADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826316142 609216342 /nfs/dbraw/zinc/21/63/42/609216342.db2.gz DTOHAZOYNDLVTH-HNNXBMFYSA-N -1 3 378.461 3.279 20 0 GGADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826217930 609218176 /nfs/dbraw/zinc/21/81/76/609218176.db2.gz IOKIBCYXNYXAGS-ZDUSSCGKSA-N -1 3 388.431 3.361 20 0 GGADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826217930 609218177 /nfs/dbraw/zinc/21/81/77/609218177.db2.gz IOKIBCYXNYXAGS-ZDUSSCGKSA-N -1 3 388.431 3.361 20 0 GGADHM CCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000825301638 609220873 /nfs/dbraw/zinc/22/08/73/609220873.db2.gz NXHCDOUGDCWBPF-IRXDYDNUSA-N -1 3 386.500 3.175 20 0 GGADHM CCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000825301638 609220875 /nfs/dbraw/zinc/22/08/75/609220875.db2.gz NXHCDOUGDCWBPF-IRXDYDNUSA-N -1 3 386.500 3.175 20 0 GGADHM CC(C)[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000824191415 609227254 /nfs/dbraw/zinc/22/72/54/609227254.db2.gz DIFLKBNZBNYYMV-AWEZNQCLSA-N -1 3 378.358 3.341 20 0 GGADHM CC(C)[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000824191415 609227256 /nfs/dbraw/zinc/22/72/56/609227256.db2.gz DIFLKBNZBNYYMV-AWEZNQCLSA-N -1 3 378.358 3.341 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826297939 609233803 /nfs/dbraw/zinc/23/38/03/609233803.db2.gz XPJZEOIZYUULQP-VQTJNVASSA-N -1 3 391.475 3.352 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826297939 609233804 /nfs/dbraw/zinc/23/38/04/609233804.db2.gz XPJZEOIZYUULQP-VQTJNVASSA-N -1 3 391.475 3.352 20 0 GGADHM CC(=O)c1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000824019884 609239834 /nfs/dbraw/zinc/23/98/34/609239834.db2.gz SKAVDCNYHRSQSR-UHFFFAOYSA-N -1 3 391.406 3.138 20 0 GGADHM CC(=O)c1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000824019884 609239835 /nfs/dbraw/zinc/23/98/35/609239835.db2.gz SKAVDCNYHRSQSR-UHFFFAOYSA-N -1 3 391.406 3.138 20 0 GGADHM CC(Cl)(Cl)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824465210 609239997 /nfs/dbraw/zinc/23/99/97/609239997.db2.gz MPTUNIWJNACUDA-UHFFFAOYSA-N -1 3 376.247 3.344 20 0 GGADHM CC(Cl)(Cl)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824465210 609239999 /nfs/dbraw/zinc/23/99/99/609239999.db2.gz MPTUNIWJNACUDA-UHFFFAOYSA-N -1 3 376.247 3.344 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826285030 609240035 /nfs/dbraw/zinc/24/00/35/609240035.db2.gz NWJWYWXTJDTFAS-SLFFLAALSA-N -1 3 391.475 3.003 20 0 GGADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285030 609240037 /nfs/dbraw/zinc/24/00/37/609240037.db2.gz NWJWYWXTJDTFAS-SLFFLAALSA-N -1 3 391.475 3.003 20 0 GGADHM CC[C@H](Cc1cccs1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825128444 609240254 /nfs/dbraw/zinc/24/02/54/609240254.db2.gz UJWCMJLXNRGNOS-CQSZACIVSA-N -1 3 398.536 3.323 20 0 GGADHM CC[C@H](Cc1cccs1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825128444 609240256 /nfs/dbraw/zinc/24/02/56/609240256.db2.gz UJWCMJLXNRGNOS-CQSZACIVSA-N -1 3 398.536 3.323 20 0 GGADHM Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826297813 609241392 /nfs/dbraw/zinc/24/13/92/609241392.db2.gz TXUXZUAXTKIMEY-UXHICEINSA-N -1 3 391.475 3.271 20 0 GGADHM Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826297813 609241393 /nfs/dbraw/zinc/24/13/93/609241393.db2.gz TXUXZUAXTKIMEY-UXHICEINSA-N -1 3 391.475 3.271 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCc4ccc(F)cc43)cc2-c2nnn[n-]2)CC1 ZINC000826507226 609242789 /nfs/dbraw/zinc/24/27/89/609242789.db2.gz KSUQZHNAXPXZEZ-IBGZPJMESA-N -1 3 394.454 3.066 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCc4ccc(F)cc43)cc2-c2nn[n-]n2)CC1 ZINC000826507226 609242790 /nfs/dbraw/zinc/24/27/90/609242790.db2.gz KSUQZHNAXPXZEZ-IBGZPJMESA-N -1 3 394.454 3.066 20 0 GGADHM Cc1ccc(-c2cccc(CNC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000826273873 609246461 /nfs/dbraw/zinc/24/64/61/609246461.db2.gz YANYGOOXVYILJA-OAQYLSRUSA-N -1 3 399.454 3.192 20 0 GGADHM Cc1ccc(-c2cccc(CNC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826273873 609246463 /nfs/dbraw/zinc/24/64/63/609246463.db2.gz YANYGOOXVYILJA-OAQYLSRUSA-N -1 3 399.454 3.192 20 0 GGADHM O=C(Nc1ccccc1CCC(F)(F)F)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457432 609246900 /nfs/dbraw/zinc/24/69/00/609246900.db2.gz AWDPZAQDAPYKNU-OAHLLOKOSA-N -1 3 391.353 3.034 20 0 GGADHM O=C(Nc1ccccc1CCC(F)(F)F)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457432 609246902 /nfs/dbraw/zinc/24/69/02/609246902.db2.gz AWDPZAQDAPYKNU-OAHLLOKOSA-N -1 3 391.353 3.034 20 0 GGADHM C[C@H](Nc1cccc(C(=O)N2CCSCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662215 609247091 /nfs/dbraw/zinc/24/70/91/609247091.db2.gz FVWCXJPUAXQOPK-AWEZNQCLSA-N -1 3 394.504 3.229 20 0 GGADHM C[C@H](Nc1cccc(C(=O)N2CCSCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662215 609247093 /nfs/dbraw/zinc/24/70/93/609247093.db2.gz FVWCXJPUAXQOPK-AWEZNQCLSA-N -1 3 394.504 3.229 20 0 GGADHM CC(C)C[C@@H]1C[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824237712 609264039 /nfs/dbraw/zinc/26/40/39/609264039.db2.gz UIYUXTRSZJIZLF-VXGBXAGGSA-N -1 3 398.294 3.497 20 0 GGADHM CC(C)C[C@@H]1C[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824237712 609264041 /nfs/dbraw/zinc/26/40/41/609264041.db2.gz UIYUXTRSZJIZLF-VXGBXAGGSA-N -1 3 398.294 3.497 20 0 GGADHM CCN(C(=O)C=Cc1ccc(OC)c(O)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367222 609268860 /nfs/dbraw/zinc/26/88/60/609268860.db2.gz LJTOAIWURSSUOQ-CYIWUNGXSA-N -1 3 393.447 3.204 20 0 GGADHM CCN(C(=O)C=Cc1ccc(OC)c(O)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367222 609268862 /nfs/dbraw/zinc/26/88/62/609268862.db2.gz LJTOAIWURSSUOQ-CYIWUNGXSA-N -1 3 393.447 3.204 20 0 GGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1N1CCOC1=O ZINC000826291557 609270922 /nfs/dbraw/zinc/27/09/22/609270922.db2.gz LMOCEHTVEGQQDW-GFCCVEGCSA-N -1 3 382.399 3.444 20 0 GGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1N1CCOC1=O ZINC000826291557 609270923 /nfs/dbraw/zinc/27/09/23/609270923.db2.gz LMOCEHTVEGQQDW-GFCCVEGCSA-N -1 3 382.399 3.444 20 0 GGADHM CCCC[C@H]1NC(=O)N(c2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000825266783 609273915 /nfs/dbraw/zinc/27/39/15/609273915.db2.gz HGNJIDLZJCKLPO-MRXNPFEDSA-N -1 3 392.419 3.274 20 0 GGADHM CCCC[C@H]1NC(=O)N(c2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000825266783 609273916 /nfs/dbraw/zinc/27/39/16/609273916.db2.gz HGNJIDLZJCKLPO-MRXNPFEDSA-N -1 3 392.419 3.274 20 0 GGADHM CCC[C@@]1(C)NC(=O)N(Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1=O ZINC000825247984 609276237 /nfs/dbraw/zinc/27/62/37/609276237.db2.gz KFILSHORBSGGFQ-LJQANCHMSA-N -1 3 396.476 3.206 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCCC1 ZINC000826234150 609278677 /nfs/dbraw/zinc/27/86/77/609278677.db2.gz JUYUIRVBEWQFOO-CYBMUJFWSA-N -1 3 379.468 3.368 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCCC1 ZINC000826234150 609278679 /nfs/dbraw/zinc/27/86/79/609278679.db2.gz JUYUIRVBEWQFOO-CYBMUJFWSA-N -1 3 379.468 3.368 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000824114655 609281076 /nfs/dbraw/zinc/28/10/76/609281076.db2.gz ZHHDTIBVBDYTKS-KRWDZBQOSA-N -1 3 383.427 3.178 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000824114655 609281078 /nfs/dbraw/zinc/28/10/78/609281078.db2.gz ZHHDTIBVBDYTKS-KRWDZBQOSA-N -1 3 383.427 3.178 20 0 GGADHM Clc1cnc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826353764 609281824 /nfs/dbraw/zinc/28/18/24/609281824.db2.gz CSFKGMHHXXDMJU-INIZCTEOSA-N -1 3 391.262 3.142 20 0 GGADHM Clc1cnc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826353764 609281826 /nfs/dbraw/zinc/28/18/26/609281826.db2.gz CSFKGMHHXXDMJU-INIZCTEOSA-N -1 3 391.262 3.142 20 0 GGADHM COCCN(C(=O)c1cc(C)c(C)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157130 609282319 /nfs/dbraw/zinc/28/23/19/609282319.db2.gz ITKFKSOFSXDTJO-UHFFFAOYSA-N -1 3 385.855 3.430 20 0 GGADHM COCCN(C(=O)c1cc(C)c(C)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157130 609282321 /nfs/dbraw/zinc/28/23/21/609282321.db2.gz ITKFKSOFSXDTJO-UHFFFAOYSA-N -1 3 385.855 3.430 20 0 GGADHM CSc1ccccc1CSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826231307 609282442 /nfs/dbraw/zinc/28/24/42/609282442.db2.gz GLBHIODILIUCLA-UHFFFAOYSA-N -1 3 385.518 3.138 20 0 GGADHM CSc1ccccc1CSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826231307 609282444 /nfs/dbraw/zinc/28/24/44/609282444.db2.gz GLBHIODILIUCLA-UHFFFAOYSA-N -1 3 385.518 3.138 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234488 609282592 /nfs/dbraw/zinc/28/25/92/609282592.db2.gz YXFAXQCJUXGKSX-CYBMUJFWSA-N -1 3 379.468 3.368 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826234488 609282595 /nfs/dbraw/zinc/28/25/95/609282595.db2.gz YXFAXQCJUXGKSX-CYBMUJFWSA-N -1 3 379.468 3.368 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000824135129 609283358 /nfs/dbraw/zinc/28/33/58/609283358.db2.gz AXKXKLOGRJRZPJ-UHFFFAOYSA-N -1 3 375.476 3.292 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000824135129 609283360 /nfs/dbraw/zinc/28/33/60/609283360.db2.gz AXKXKLOGRJRZPJ-UHFFFAOYSA-N -1 3 375.476 3.292 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC000824739454 609285952 /nfs/dbraw/zinc/28/59/52/609285952.db2.gz XKIINNQCDYJMNQ-WDEREUQCSA-N -1 3 385.449 3.272 20 0 GGADHM CC(C)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC000824192867 609286364 /nfs/dbraw/zinc/28/63/64/609286364.db2.gz NNSBCZPIVOQTEO-QGZVFWFLSA-N -1 3 384.871 3.387 20 0 GGADHM CC(C)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC000824192867 609286365 /nfs/dbraw/zinc/28/63/65/609286365.db2.gz NNSBCZPIVOQTEO-QGZVFWFLSA-N -1 3 384.871 3.387 20 0 GGADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC000825132929 609289779 /nfs/dbraw/zinc/28/97/79/609289779.db2.gz FSNZURYHWDDVDL-HNNXBMFYSA-N -1 3 399.838 3.172 20 0 GGADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC000825132929 609289780 /nfs/dbraw/zinc/28/97/80/609289780.db2.gz FSNZURYHWDDVDL-HNNXBMFYSA-N -1 3 399.838 3.172 20 0 GGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824457736 609290827 /nfs/dbraw/zinc/29/08/27/609290827.db2.gz RDZWPNRAVURBKR-ZDUSSCGKSA-N -1 3 391.410 3.009 20 0 GGADHM O=C(Nc1ccnn1CCc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459063 609290954 /nfs/dbraw/zinc/29/09/54/609290954.db2.gz SZNAMBJTHAWSBY-UHFFFAOYSA-N -1 3 393.838 3.212 20 0 GGADHM O=C(Nc1ccnn1CCc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459063 609290955 /nfs/dbraw/zinc/29/09/55/609290955.db2.gz SZNAMBJTHAWSBY-UHFFFAOYSA-N -1 3 393.838 3.212 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C12CCCC2 ZINC000825582256 609291863 /nfs/dbraw/zinc/29/18/63/609291863.db2.gz IRWMSGZHDUSWNR-CVEARBPZSA-N -1 3 389.887 3.330 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C12CCCC2 ZINC000825582256 609291867 /nfs/dbraw/zinc/29/18/67/609291867.db2.gz IRWMSGZHDUSWNR-CVEARBPZSA-N -1 3 389.887 3.330 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccco1)Cc1cccnc1 ZINC000826182349 609295864 /nfs/dbraw/zinc/29/58/64/609295864.db2.gz HMHSJEYBVXOWCN-UHFFFAOYSA-N -1 3 376.420 3.066 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(CC(=O)Nc1sccc1-c1nnn[n-]1)CC2 ZINC000824136436 609296382 /nfs/dbraw/zinc/29/63/82/609296382.db2.gz RCIGXYATKPMHHE-UHFFFAOYSA-N -1 3 396.520 3.223 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(CC(=O)Nc1sccc1-c1nn[n-]n1)CC2 ZINC000824136436 609296383 /nfs/dbraw/zinc/29/63/83/609296383.db2.gz RCIGXYATKPMHHE-UHFFFAOYSA-N -1 3 396.520 3.223 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CCC2 ZINC000826328214 609300149 /nfs/dbraw/zinc/30/01/49/609300149.db2.gz JIEKFQAOOBCCDV-CQSZACIVSA-N -1 3 388.884 3.435 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CCC2 ZINC000826328214 609300151 /nfs/dbraw/zinc/30/01/51/609300151.db2.gz JIEKFQAOOBCCDV-CQSZACIVSA-N -1 3 388.884 3.435 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1-c1ccc(Cl)cc1 ZINC000480400998 609302030 /nfs/dbraw/zinc/30/20/30/609302030.db2.gz FFWCWKMFPQLPLN-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1-c1ccc(Cl)cc1 ZINC000480400998 609302032 /nfs/dbraw/zinc/30/20/32/609302032.db2.gz FFWCWKMFPQLPLN-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CCO[C@@H](C)c1nc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cs1 ZINC000825576398 609307925 /nfs/dbraw/zinc/30/79/25/609307925.db2.gz FNYCNXMFUOOINS-JTQLQIEISA-N -1 3 377.499 3.120 20 0 GGADHM CCO[C@@H](C)c1nc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cs1 ZINC000825576398 609307926 /nfs/dbraw/zinc/30/79/26/609307926.db2.gz FNYCNXMFUOOINS-JTQLQIEISA-N -1 3 377.499 3.120 20 0 GGADHM CCOC(=O)C[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825498672 609310832 /nfs/dbraw/zinc/31/08/32/609310832.db2.gz AEZIUNANARBFLV-SECBINFHSA-N -1 3 385.287 3.204 20 0 GGADHM CCOC(=O)C[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825498672 609310833 /nfs/dbraw/zinc/31/08/33/609310833.db2.gz AEZIUNANARBFLV-SECBINFHSA-N -1 3 385.287 3.204 20 0 GGADHM O=Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c(F)c1 ZINC000826484290 609313888 /nfs/dbraw/zinc/31/38/88/609313888.db2.gz WXTCPZOVQDUASA-UHFFFAOYSA-N -1 3 377.173 3.160 20 0 GGADHM O=Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c(F)c1 ZINC000826484290 609313889 /nfs/dbraw/zinc/31/38/89/609313889.db2.gz WXTCPZOVQDUASA-UHFFFAOYSA-N -1 3 377.173 3.160 20 0 GGADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826155128 609314857 /nfs/dbraw/zinc/31/48/57/609314857.db2.gz HHQXJEIEQAFMIZ-ZDUSSCGKSA-N -1 3 382.424 3.055 20 0 GGADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826155128 609314860 /nfs/dbraw/zinc/31/48/60/609314860.db2.gz HHQXJEIEQAFMIZ-ZDUSSCGKSA-N -1 3 382.424 3.055 20 0 GGADHM COc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1C ZINC000826203972 609319671 /nfs/dbraw/zinc/31/96/71/609319671.db2.gz PFDSDFOGYCYMHJ-UHFFFAOYSA-N -1 3 379.399 3.121 20 0 GGADHM Fc1cccc(-n2ccc(NCc3nc4c(s3)CCCC4)n2)c1-c1nnn[n-]1 ZINC000826376516 609320875 /nfs/dbraw/zinc/32/08/75/609320875.db2.gz HGPPZSPIKQTDOM-UHFFFAOYSA-N -1 3 396.455 3.139 20 0 GGADHM COCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155158 609322966 /nfs/dbraw/zinc/32/29/66/609322966.db2.gz IORPTSFRICKRRU-LLVKDONJSA-N -1 3 382.346 3.372 20 0 GGADHM COCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155158 609322968 /nfs/dbraw/zinc/32/29/68/609322968.db2.gz IORPTSFRICKRRU-LLVKDONJSA-N -1 3 382.346 3.372 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3ccccc3Oc3ccccc3-c3nnn[n-]3)C[C@@H]21 ZINC000824789632 609323498 /nfs/dbraw/zinc/32/34/98/609323498.db2.gz IMNMJTAFJSHOJR-IYBDPMFKSA-N -1 3 375.432 3.387 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3ccccc3Oc3ccccc3-c3nn[n-]n3)C[C@@H]21 ZINC000824789632 609323500 /nfs/dbraw/zinc/32/35/00/609323500.db2.gz IMNMJTAFJSHOJR-IYBDPMFKSA-N -1 3 375.432 3.387 20 0 GGADHM COCCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826163058 609325710 /nfs/dbraw/zinc/32/57/10/609325710.db2.gz FBAYJKHVQQNYNC-UHFFFAOYSA-N -1 3 389.253 3.397 20 0 GGADHM COCCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826163058 609325712 /nfs/dbraw/zinc/32/57/12/609325712.db2.gz FBAYJKHVQQNYNC-UHFFFAOYSA-N -1 3 389.253 3.397 20 0 GGADHM C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626055 609326178 /nfs/dbraw/zinc/32/61/78/609326178.db2.gz LLWOERIYJGZUNC-CQSZACIVSA-N -1 3 377.427 3.101 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1COc1ccccc1-c1nnco1 ZINC000823821018 609326548 /nfs/dbraw/zinc/32/65/48/609326548.db2.gz NONYGPKNOWLNFK-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1COc1ccccc1-c1nnco1 ZINC000823821018 609326550 /nfs/dbraw/zinc/32/65/50/609326550.db2.gz NONYGPKNOWLNFK-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826435795 609328286 /nfs/dbraw/zinc/32/82/86/609328286.db2.gz XSSCJQLXTJHHDB-CYBMUJFWSA-N -1 3 381.461 3.284 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826435795 609328288 /nfs/dbraw/zinc/32/82/88/609328288.db2.gz XSSCJQLXTJHHDB-CYBMUJFWSA-N -1 3 381.461 3.284 20 0 GGADHM CCCc1noc(CSCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000825353329 609328734 /nfs/dbraw/zinc/32/87/34/609328734.db2.gz VNFSNKYYFSIFNA-UHFFFAOYSA-N -1 3 395.286 3.398 20 0 GGADHM CCCc1noc(CSCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000825353329 609328736 /nfs/dbraw/zinc/32/87/36/609328736.db2.gz VNFSNKYYFSIFNA-UHFFFAOYSA-N -1 3 395.286 3.398 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826486603 609331442 /nfs/dbraw/zinc/33/14/42/609331442.db2.gz ISYVMHOQKIZYSE-LJQANCHMSA-N -1 3 397.504 3.218 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826486603 609331444 /nfs/dbraw/zinc/33/14/44/609331444.db2.gz ISYVMHOQKIZYSE-LJQANCHMSA-N -1 3 397.504 3.218 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1ccc(Cl)nc1 ZINC000826464745 609337781 /nfs/dbraw/zinc/33/77/81/609337781.db2.gz KTSSPMOJIGXOPW-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(Cl)nc1 ZINC000826464745 609337783 /nfs/dbraw/zinc/33/77/83/609337783.db2.gz KTSSPMOJIGXOPW-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCc1sccc1C ZINC000826176056 609338230 /nfs/dbraw/zinc/33/82/30/609338230.db2.gz YPPXVJCXDQVRRX-UHFFFAOYSA-N -1 3 388.449 3.148 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCc1sccc1C ZINC000826176056 609338232 /nfs/dbraw/zinc/33/82/32/609338232.db2.gz YPPXVJCXDQVRRX-UHFFFAOYSA-N -1 3 388.449 3.148 20 0 GGADHM C[C@H](NCc1nccn1CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824632750 609338490 /nfs/dbraw/zinc/33/84/90/609338490.db2.gz CYBARTADVWJYNI-HNNXBMFYSA-N -1 3 391.454 3.296 20 0 GGADHM C[C@H](NCc1nccn1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824632750 609338492 /nfs/dbraw/zinc/33/84/92/609338492.db2.gz CYBARTADVWJYNI-HNNXBMFYSA-N -1 3 391.454 3.296 20 0 GGADHM COc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826211197 609340663 /nfs/dbraw/zinc/34/06/63/609340663.db2.gz STJOJMCTEUATPR-SNVBAGLBSA-N -1 3 393.369 3.467 20 0 GGADHM COc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211197 609340664 /nfs/dbraw/zinc/34/06/64/609340664.db2.gz STJOJMCTEUATPR-SNVBAGLBSA-N -1 3 393.369 3.467 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1F ZINC000826464613 609342303 /nfs/dbraw/zinc/34/23/03/609342303.db2.gz FHVLZTGLMIJVQI-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1F ZINC000826464613 609342305 /nfs/dbraw/zinc/34/23/05/609342305.db2.gz FHVLZTGLMIJVQI-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(Cl)cn1 ZINC000824206218 609344130 /nfs/dbraw/zinc/34/41/30/609344130.db2.gz BFSFMHZVQLSFLC-INIZCTEOSA-N -1 3 387.827 3.062 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(Cl)cn1 ZINC000824206218 609344132 /nfs/dbraw/zinc/34/41/32/609344132.db2.gz BFSFMHZVQLSFLC-INIZCTEOSA-N -1 3 387.827 3.062 20 0 GGADHM Cc1ccc(F)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826289229 609344911 /nfs/dbraw/zinc/34/49/11/609344911.db2.gz QUQTYZSZSMKFPO-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM Cc1ccc(F)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826289229 609344912 /nfs/dbraw/zinc/34/49/12/609344912.db2.gz QUQTYZSZSMKFPO-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM Cc1cc(Br)ccc1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826256485 609347835 /nfs/dbraw/zinc/34/78/35/609347835.db2.gz LSCCNKANBCNELI-UHFFFAOYSA-N -1 3 387.237 3.224 20 0 GGADHM Cc1cc(Br)ccc1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826256485 609347838 /nfs/dbraw/zinc/34/78/38/609347838.db2.gz LSCCNKANBCNELI-UHFFFAOYSA-N -1 3 387.237 3.224 20 0 GGADHM C[C@@H](Nc1ccn(CCc2ccncc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662982 609347914 /nfs/dbraw/zinc/34/79/14/609347914.db2.gz UEEXHSFURAXKDO-CYBMUJFWSA-N -1 3 378.415 3.013 20 0 GGADHM C[C@@H](Nc1ccn(CCc2ccncc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662982 609347915 /nfs/dbraw/zinc/34/79/15/609347915.db2.gz UEEXHSFURAXKDO-CYBMUJFWSA-N -1 3 378.415 3.013 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1N1CCOC1=O ZINC000826210205 609348321 /nfs/dbraw/zinc/34/83/21/609348321.db2.gz IXORKEXEFUGYLI-NSHDSACASA-N -1 3 398.398 3.144 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1N1CCOC1=O ZINC000826210205 609348322 /nfs/dbraw/zinc/34/83/22/609348322.db2.gz IXORKEXEFUGYLI-NSHDSACASA-N -1 3 398.398 3.144 20 0 GGADHM O=C(CC1CCSCC1)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826404846 609349026 /nfs/dbraw/zinc/34/90/26/609349026.db2.gz NDJRZLZARCSGOO-UHFFFAOYSA-N -1 3 397.298 3.206 20 0 GGADHM O=C(CC1CCSCC1)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826404846 609349028 /nfs/dbraw/zinc/34/90/28/609349028.db2.gz NDJRZLZARCSGOO-UHFFFAOYSA-N -1 3 397.298 3.206 20 0 GGADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1N1CCCC1=O ZINC000826180595 609349711 /nfs/dbraw/zinc/34/97/11/609349711.db2.gz OKCNQUFJESJZFR-GFCCVEGCSA-N -1 3 396.426 3.314 20 0 GGADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1N1CCCC1=O ZINC000826180595 609349713 /nfs/dbraw/zinc/34/97/13/609349713.db2.gz OKCNQUFJESJZFR-GFCCVEGCSA-N -1 3 396.426 3.314 20 0 GGADHM O=C(CCCC(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826406455 609350647 /nfs/dbraw/zinc/35/06/47/609350647.db2.gz YAYLHYLUGDAJDZ-UHFFFAOYSA-N -1 3 393.163 3.405 20 0 GGADHM O=C(CCCC(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826406455 609350648 /nfs/dbraw/zinc/35/06/48/609350648.db2.gz YAYLHYLUGDAJDZ-UHFFFAOYSA-N -1 3 393.163 3.405 20 0 GGADHM C[C@@H](c1nc2ccccc2o1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824779596 609355897 /nfs/dbraw/zinc/35/58/97/609355897.db2.gz WGRYPKNOEOLSQX-ZDUSSCGKSA-N -1 3 393.426 3.030 20 0 GGADHM C[C@@H](c1nc2ccccc2o1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824779596 609355898 /nfs/dbraw/zinc/35/58/98/609355898.db2.gz WGRYPKNOEOLSQX-ZDUSSCGKSA-N -1 3 393.426 3.030 20 0 GGADHM C[C@H](c1ccco1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824770152 609357822 /nfs/dbraw/zinc/35/78/22/609357822.db2.gz FQDYPPPLAFFBEZ-LLVKDONJSA-N -1 3 396.386 3.009 20 0 GGADHM CC(C)S[C@H]1CCCC[C@H]1OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824338018 609365071 /nfs/dbraw/zinc/36/50/71/609365071.db2.gz MUUKRYZVHJIBOW-CVEARBPZSA-N -1 3 376.482 3.242 20 0 GGADHM CC(C)S[C@H]1CCCC[C@H]1OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824338018 609365075 /nfs/dbraw/zinc/36/50/75/609365075.db2.gz MUUKRYZVHJIBOW-CVEARBPZSA-N -1 3 376.482 3.242 20 0 GGADHM Cc1csc(C(C)(C)NCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000826320077 609365278 /nfs/dbraw/zinc/36/52/78/609365278.db2.gz FYXTXCKAVXKJQP-UHFFFAOYSA-N -1 3 393.314 3.419 20 0 GGADHM Cc1csc(C(C)(C)NCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826320077 609365279 /nfs/dbraw/zinc/36/52/79/609365279.db2.gz FYXTXCKAVXKJQP-UHFFFAOYSA-N -1 3 393.314 3.419 20 0 GGADHM Cn1cccc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826363400 609365441 /nfs/dbraw/zinc/36/54/41/609365441.db2.gz KWLWDAHXQSYNME-INIZCTEOSA-N -1 3 387.285 3.305 20 0 GGADHM O=C(Nc1cccc(CO)c1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826456417 609365586 /nfs/dbraw/zinc/36/55/86/609365586.db2.gz CTORABZLSTYTIC-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM O=C(Nc1cccc(CO)c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826456417 609365589 /nfs/dbraw/zinc/36/55/89/609365589.db2.gz CTORABZLSTYTIC-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM Cc1nc2cc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328582 609366638 /nfs/dbraw/zinc/36/66/38/609366638.db2.gz WIGUDSGFXQKVRK-UHFFFAOYSA-N -1 3 379.449 3.449 20 0 GGADHM Cc1nc2cc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328582 609366639 /nfs/dbraw/zinc/36/66/39/609366639.db2.gz WIGUDSGFXQKVRK-UHFFFAOYSA-N -1 3 379.449 3.449 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(c3nccs3)CC2)cc1-c1nnn[n-]1 ZINC000824329096 609367937 /nfs/dbraw/zinc/36/79/37/609367937.db2.gz IEPRJZIZEHYYQX-UHFFFAOYSA-N -1 3 385.497 3.191 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(c3nccs3)CC2)cc1-c1nn[n-]n1 ZINC000824329096 609367940 /nfs/dbraw/zinc/36/79/40/609367940.db2.gz IEPRJZIZEHYYQX-UHFFFAOYSA-N -1 3 385.497 3.191 20 0 GGADHM CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825415998 609375221 /nfs/dbraw/zinc/37/52/21/609375221.db2.gz GIWVZFSEFFRTPQ-HNNXBMFYSA-N -1 3 393.447 3.300 20 0 GGADHM CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825415998 609375223 /nfs/dbraw/zinc/37/52/23/609375223.db2.gz GIWVZFSEFFRTPQ-HNNXBMFYSA-N -1 3 393.447 3.300 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C[C@@H]1F ZINC000824949234 609378940 /nfs/dbraw/zinc/37/89/40/609378940.db2.gz XSKKLODQFWVOJQ-LRDDRELGSA-N -1 3 397.414 3.266 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C[C@@H]1F ZINC000824949234 609378943 /nfs/dbraw/zinc/37/89/43/609378943.db2.gz XSKKLODQFWVOJQ-LRDDRELGSA-N -1 3 397.414 3.266 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000826185486 609381242 /nfs/dbraw/zinc/38/12/42/609381242.db2.gz LFEDIEHWFAWMRX-CQSZACIVSA-N -1 3 398.398 3.050 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000826185486 609381244 /nfs/dbraw/zinc/38/12/44/609381244.db2.gz LFEDIEHWFAWMRX-CQSZACIVSA-N -1 3 398.398 3.050 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000826185962 609382101 /nfs/dbraw/zinc/38/21/01/609382101.db2.gz YXEGOEVNWSUPRJ-GFCCVEGCSA-N -1 3 386.378 3.364 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000826185962 609382102 /nfs/dbraw/zinc/38/21/02/609382102.db2.gz YXEGOEVNWSUPRJ-GFCCVEGCSA-N -1 3 386.378 3.364 20 0 GGADHM Cc1ccc(-c2ccc(C(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000826273442 609383652 /nfs/dbraw/zinc/38/36/52/609383652.db2.gz DQQVJZMWCTZPTK-UHFFFAOYSA-N -1 3 395.444 3.305 20 0 GGADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1cnccn1 ZINC000824722972 609385715 /nfs/dbraw/zinc/38/57/15/609385715.db2.gz LBERQVITTNDTEI-CYBMUJFWSA-N -1 3 388.387 3.367 20 0 GGADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1cnccn1 ZINC000824722972 609385717 /nfs/dbraw/zinc/38/57/17/609385717.db2.gz LBERQVITTNDTEI-CYBMUJFWSA-N -1 3 388.387 3.367 20 0 GGADHM O=C(OCCOC1CCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826463791 609387125 /nfs/dbraw/zinc/38/71/25/609387125.db2.gz VCWGIRPLRNBRPT-UHFFFAOYSA-N -1 3 380.404 3.385 20 0 GGADHM O=C(OCCOC1CCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826463791 609387127 /nfs/dbraw/zinc/38/71/27/609387127.db2.gz VCWGIRPLRNBRPT-UHFFFAOYSA-N -1 3 380.404 3.385 20 0 GGADHM FC(F)(F)c1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826369051 609387201 /nfs/dbraw/zinc/38/72/01/609387201.db2.gz KSJVKIVNAKBATC-INIZCTEOSA-N -1 3 375.354 3.463 20 0 GGADHM O=C(OCC[C@H]1CCCO1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462739 609387499 /nfs/dbraw/zinc/38/74/99/609387499.db2.gz HDONHNZODCCJPL-CQSZACIVSA-N -1 3 380.404 3.385 20 0 GGADHM O=C(OCC[C@H]1CCCO1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462739 609387502 /nfs/dbraw/zinc/38/75/02/609387502.db2.gz HDONHNZODCCJPL-CQSZACIVSA-N -1 3 380.404 3.385 20 0 GGADHM O=C(OCC[C@@H]1CCCO1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462738 609387577 /nfs/dbraw/zinc/38/75/77/609387577.db2.gz HDONHNZODCCJPL-AWEZNQCLSA-N -1 3 380.404 3.385 20 0 GGADHM O=C(OCC[C@@H]1CCCO1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462738 609387579 /nfs/dbraw/zinc/38/75/79/609387579.db2.gz HDONHNZODCCJPL-AWEZNQCLSA-N -1 3 380.404 3.385 20 0 GGADHM C[C@H]1CC[C@@H](COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)O1 ZINC000824908374 609388216 /nfs/dbraw/zinc/38/82/16/609388216.db2.gz OHAPGBLQFHEWNT-KBPBESRZSA-N -1 3 380.404 3.383 20 0 GGADHM C[C@H]1CC[C@@H](COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)O1 ZINC000824908374 609388218 /nfs/dbraw/zinc/38/82/18/609388218.db2.gz OHAPGBLQFHEWNT-KBPBESRZSA-N -1 3 380.404 3.383 20 0 GGADHM CC(C)[C@H]1C[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824216838 609393483 /nfs/dbraw/zinc/39/34/83/609393483.db2.gz WALMABAYQZVCTD-BLLLJJGKSA-N -1 3 377.876 3.324 20 0 GGADHM CC(C)[C@H]1C[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824216838 609393486 /nfs/dbraw/zinc/39/34/86/609393486.db2.gz WALMABAYQZVCTD-BLLLJJGKSA-N -1 3 377.876 3.324 20 0 GGADHM C[C@@H]1CC[C@]2(CCN(C(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824915399 609396727 /nfs/dbraw/zinc/39/67/27/609396727.db2.gz FIMNQFFEQYQFSV-IERDGZPVSA-N -1 3 383.496 3.455 20 0 GGADHM C[C@@H]1CC[C@]2(CCN(C(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824915399 609396729 /nfs/dbraw/zinc/39/67/29/609396729.db2.gz FIMNQFFEQYQFSV-IERDGZPVSA-N -1 3 383.496 3.455 20 0 GGADHM C[C@H]1CC[C@]2(CCN(C(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824915401 609396742 /nfs/dbraw/zinc/39/67/42/609396742.db2.gz FIMNQFFEQYQFSV-KKSFZXQISA-N -1 3 383.496 3.455 20 0 GGADHM C[C@H]1CC[C@]2(CCN(C(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824915401 609396746 /nfs/dbraw/zinc/39/67/46/609396746.db2.gz FIMNQFFEQYQFSV-KKSFZXQISA-N -1 3 383.496 3.455 20 0 GGADHM CC(C)[C@H]1C[C@@H](CC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824216536 609400725 /nfs/dbraw/zinc/40/07/25/609400725.db2.gz SZOVMALFJWRLCR-MAUKXSAKSA-N -1 3 388.468 3.020 20 0 GGADHM CC[C@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000825182647 609403912 /nfs/dbraw/zinc/40/39/12/609403912.db2.gz LKBGNFTVDVSWNN-KXBFYZLASA-N -1 3 381.480 3.078 20 0 GGADHM CC[C@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCO1 ZINC000825182647 609403914 /nfs/dbraw/zinc/40/39/14/609403914.db2.gz LKBGNFTVDVSWNN-KXBFYZLASA-N -1 3 381.480 3.078 20 0 GGADHM C[C@@](NC(=O)c1cc(-c2nnn[n-]2)cs1)(c1ccc(F)cc1)C(F)(F)F ZINC000824513913 609405544 /nfs/dbraw/zinc/40/55/44/609405544.db2.gz JXGFEPBTZNAGDG-CQSZACIVSA-N -1 3 385.346 3.275 20 0 GGADHM C[C@@](NC(=O)c1cc(-c2nn[n-]n2)cs1)(c1ccc(F)cc1)C(F)(F)F ZINC000824513913 609405546 /nfs/dbraw/zinc/40/55/46/609405546.db2.gz JXGFEPBTZNAGDG-CQSZACIVSA-N -1 3 385.346 3.275 20 0 GGADHM Cc1cccc(OCc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826300518 609413414 /nfs/dbraw/zinc/41/34/14/609413414.db2.gz XWKQMUDEUPNYBC-UHFFFAOYSA-N -1 3 380.433 3.429 20 0 GGADHM Cc1cccc(OCc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000826300518 609413416 /nfs/dbraw/zinc/41/34/16/609413416.db2.gz XWKQMUDEUPNYBC-UHFFFAOYSA-N -1 3 380.433 3.429 20 0 GGADHM COc1cccc(CS[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826217130 609419297 /nfs/dbraw/zinc/41/92/97/609419297.db2.gz ZJIFGYUJTRFEIS-GOSISDBHSA-N -1 3 395.488 3.304 20 0 GGADHM COc1cccc(CS[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826217130 609419300 /nfs/dbraw/zinc/41/93/00/609419300.db2.gz ZJIFGYUJTRFEIS-GOSISDBHSA-N -1 3 395.488 3.304 20 0 GGADHM COc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826221265 609421718 /nfs/dbraw/zinc/42/17/18/609421718.db2.gz XECRJJWGVMWTAH-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM COc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826221265 609421720 /nfs/dbraw/zinc/42/17/20/609421720.db2.gz XECRJJWGVMWTAH-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM O=C1[C@@H](SC2=Nc3ccccc3C2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477341 609421804 /nfs/dbraw/zinc/42/18/04/609421804.db2.gz AKCSBWIGUOYJBI-KRWDZBQOSA-N -1 3 390.472 3.382 20 0 GGADHM O=C1[C@@H](SC2=Nc3ccccc3C2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477341 609421807 /nfs/dbraw/zinc/42/18/07/609421807.db2.gz AKCSBWIGUOYJBI-KRWDZBQOSA-N -1 3 390.472 3.382 20 0 GGADHM CN(C)c1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000825882967 609428008 /nfs/dbraw/zinc/42/80/08/609428008.db2.gz AFDWGJMQNRIIRY-UHFFFAOYSA-N -1 3 385.431 3.247 20 0 GGADHM CN(C)c1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000825882967 609428010 /nfs/dbraw/zinc/42/80/10/609428010.db2.gz AFDWGJMQNRIIRY-UHFFFAOYSA-N -1 3 385.431 3.247 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000824507389 609431754 /nfs/dbraw/zinc/43/17/54/609431754.db2.gz XCEJDTRCTPULTK-VXGBXAGGSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000824507389 609431756 /nfs/dbraw/zinc/43/17/56/609431756.db2.gz XCEJDTRCTPULTK-VXGBXAGGSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824507127 609432037 /nfs/dbraw/zinc/43/20/37/609432037.db2.gz UHCJOETWUOWFBA-VXGBXAGGSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824507127 609432039 /nfs/dbraw/zinc/43/20/39/609432039.db2.gz UHCJOETWUOWFBA-VXGBXAGGSA-N -1 3 392.891 3.260 20 0 GGADHM Cc1nc2c(c(Oc3ccc(Br)cc3-c3nnn[n-]3)n1)CCCC2 ZINC000826328119 609437796 /nfs/dbraw/zinc/43/77/96/609437796.db2.gz GTHPOCYJYSGMBG-UHFFFAOYSA-N -1 3 387.241 3.399 20 0 GGADHM Cc1nc2c(c(Oc3ccc(Br)cc3-c3nn[n-]n3)n1)CCCC2 ZINC000826328119 609437797 /nfs/dbraw/zinc/43/77/97/609437797.db2.gz GTHPOCYJYSGMBG-UHFFFAOYSA-N -1 3 387.241 3.399 20 0 GGADHM OCc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000826510239 609440728 /nfs/dbraw/zinc/44/07/28/609440728.db2.gz GHEVUNUWMDEONB-UHFFFAOYSA-N -1 3 378.404 3.394 20 0 GGADHM OCc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000826510239 609440729 /nfs/dbraw/zinc/44/07/29/609440729.db2.gz GHEVUNUWMDEONB-UHFFFAOYSA-N -1 3 378.404 3.394 20 0 GGADHM Cc1nc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)sc1C ZINC000826326235 609444062 /nfs/dbraw/zinc/44/40/62/609444062.db2.gz HCKKTWODOWDNNK-UHFFFAOYSA-N -1 3 386.872 3.391 20 0 GGADHM COc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1F ZINC000826203730 609445865 /nfs/dbraw/zinc/44/58/65/609445865.db2.gz DFNYLIZCGKTUED-UHFFFAOYSA-N -1 3 399.817 3.466 20 0 GGADHM COc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1F ZINC000826203730 609445868 /nfs/dbraw/zinc/44/58/68/609445868.db2.gz DFNYLIZCGKTUED-UHFFFAOYSA-N -1 3 399.817 3.466 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)CC3 ZINC000826293709 609449376 /nfs/dbraw/zinc/44/93/76/609449376.db2.gz ZAEIUYJGNWOFRZ-HNNXBMFYSA-N -1 3 387.447 3.335 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)CC3 ZINC000826293709 609449378 /nfs/dbraw/zinc/44/93/78/609449378.db2.gz ZAEIUYJGNWOFRZ-HNNXBMFYSA-N -1 3 387.447 3.335 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000826111677 609450579 /nfs/dbraw/zinc/45/05/79/609450579.db2.gz JTPDNFLGGVWIIB-DJJJIMSYSA-N -1 3 377.448 3.136 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000826111677 609450581 /nfs/dbraw/zinc/45/05/81/609450581.db2.gz JTPDNFLGGVWIIB-DJJJIMSYSA-N -1 3 377.448 3.136 20 0 GGADHM Cc1c(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cccc1C(=O)Nc1ccccc1 ZINC000826242516 609450837 /nfs/dbraw/zinc/45/08/37/609450837.db2.gz SFBVZWPXPHZKSD-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM Cc1c(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cccc1C(=O)Nc1ccccc1 ZINC000826242516 609450838 /nfs/dbraw/zinc/45/08/38/609450838.db2.gz SFBVZWPXPHZKSD-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM Cc1nc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(-c2ccccc2)s1 ZINC000826323817 609457171 /nfs/dbraw/zinc/45/71/71/609457171.db2.gz SWWPBJHEEGYZKB-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM Cc1nc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(-c2ccccc2)s1 ZINC000826323817 609457173 /nfs/dbraw/zinc/45/71/73/609457173.db2.gz SWWPBJHEEGYZKB-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826333220 609461986 /nfs/dbraw/zinc/46/19/86/609461986.db2.gz ZABYTMLUGONQNQ-UHFFFAOYSA-N -1 3 399.462 3.053 20 0 GGADHM Cc1nn(-c2ccccc2)cc1CCCNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826333220 609461989 /nfs/dbraw/zinc/46/19/89/609461989.db2.gz ZABYTMLUGONQNQ-UHFFFAOYSA-N -1 3 399.462 3.053 20 0 GGADHM Fc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c(Br)c1 ZINC000826374529 609464633 /nfs/dbraw/zinc/46/46/33/609464633.db2.gz CGIFMUVSKRFRKI-UHFFFAOYSA-N -1 3 388.204 3.028 20 0 GGADHM Fc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c(Br)c1 ZINC000826374529 609464636 /nfs/dbraw/zinc/46/46/36/609464636.db2.gz CGIFMUVSKRFRKI-UHFFFAOYSA-N -1 3 388.204 3.028 20 0 GGADHM Clc1ccc2sc(CNc3nc4ccccn4c3-c3nnn[n-]3)nc2c1 ZINC000826352935 609466647 /nfs/dbraw/zinc/46/66/47/609466647.db2.gz UIYMCUMUJRPDQC-UHFFFAOYSA-N -1 3 382.840 3.390 20 0 GGADHM Clc1ccc2sc(CNc3nc4ccccn4c3-c3nn[n-]n3)nc2c1 ZINC000826352935 609466649 /nfs/dbraw/zinc/46/66/49/609466649.db2.gz UIYMCUMUJRPDQC-UHFFFAOYSA-N -1 3 382.840 3.390 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C12CCC(CC1)C2 ZINC000826460070 609469908 /nfs/dbraw/zinc/46/99/08/609469908.db2.gz LRMUJIGGSBTSDO-UHFFFAOYSA-N -1 3 380.477 3.433 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C12CCC(CC1)C2 ZINC000826460070 609469909 /nfs/dbraw/zinc/46/99/09/609469909.db2.gz LRMUJIGGSBTSDO-UHFFFAOYSA-N -1 3 380.477 3.433 20 0 GGADHM C[C@@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824522919 609475351 /nfs/dbraw/zinc/47/53/51/609475351.db2.gz WZEHNFBTCUIFMF-LLVKDONJSA-N -1 3 398.854 3.195 20 0 GGADHM C[C@@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824522919 609475352 /nfs/dbraw/zinc/47/53/52/609475352.db2.gz WZEHNFBTCUIFMF-LLVKDONJSA-N -1 3 398.854 3.195 20 0 GGADHM CCc1nnc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)s1 ZINC000825767937 609475592 /nfs/dbraw/zinc/47/55/92/609475592.db2.gz VHBKIXDRYPGFNO-UHFFFAOYSA-N -1 3 380.437 3.080 20 0 GGADHM CCOCCOCc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1C ZINC000825599383 609477949 /nfs/dbraw/zinc/47/79/49/609477949.db2.gz LQHMDOKETJOSEM-UHFFFAOYSA-N -1 3 385.443 3.479 20 0 GGADHM CCOCCOCc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1C ZINC000825599383 609477952 /nfs/dbraw/zinc/47/79/52/609477952.db2.gz LQHMDOKETJOSEM-UHFFFAOYSA-N -1 3 385.443 3.479 20 0 GGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826375802 609478968 /nfs/dbraw/zinc/47/89/68/609478968.db2.gz CCIJBZFQFKUMSK-AWEZNQCLSA-N -1 3 387.390 3.315 20 0 GGADHM Fc1ccc(OC[C@@H]2CCCO2)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826375802 609478970 /nfs/dbraw/zinc/47/89/70/609478970.db2.gz CCIJBZFQFKUMSK-AWEZNQCLSA-N -1 3 387.390 3.315 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCc2cccc(F)c2F)n1 ZINC000825559028 609484968 /nfs/dbraw/zinc/48/49/68/609484968.db2.gz ASGKWHJNJYBOJX-UHFFFAOYSA-N -1 3 391.403 3.051 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCc2cccc(F)c2F)n1 ZINC000825559028 609484970 /nfs/dbraw/zinc/48/49/70/609484970.db2.gz ASGKWHJNJYBOJX-UHFFFAOYSA-N -1 3 391.403 3.051 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2cc(OC)cc(OC)c2)cc1-c1nnn[n-]1 ZINC000825553813 609488397 /nfs/dbraw/zinc/48/83/97/609488397.db2.gz XQIZMKCEBBGCBR-UHFFFAOYSA-N -1 3 398.423 3.064 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2cc(OC)cc(OC)c2)cc1-c1nn[n-]n1 ZINC000825553813 609488400 /nfs/dbraw/zinc/48/84/00/609488400.db2.gz XQIZMKCEBBGCBR-UHFFFAOYSA-N -1 3 398.423 3.064 20 0 GGADHM Cc1ccncc1C=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826315499 609488547 /nfs/dbraw/zinc/48/85/47/609488547.db2.gz LMANTWCNIKFXDR-FNORWQNLSA-N -1 3 399.414 3.409 20 0 GGADHM Cc1ccncc1C=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826315499 609488550 /nfs/dbraw/zinc/48/85/50/609488550.db2.gz LMANTWCNIKFXDR-FNORWQNLSA-N -1 3 399.414 3.409 20 0 GGADHM Cc1c(NCc2cnc3ccc(Br)cn23)cccc1-c1nnn[n-]1 ZINC000826242374 609489279 /nfs/dbraw/zinc/48/92/79/609489279.db2.gz MFFPVYMXLGSSLN-UHFFFAOYSA-N -1 3 384.241 3.197 20 0 GGADHM Cc1c(NCc2cnc3ccc(Br)cn23)cccc1-c1nn[n-]n1 ZINC000826242374 609489281 /nfs/dbraw/zinc/48/92/81/609489281.db2.gz MFFPVYMXLGSSLN-UHFFFAOYSA-N -1 3 384.241 3.197 20 0 GGADHM CC(C)Oc1ccc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1-c1nnn[n-]1 ZINC000824329185 609489852 /nfs/dbraw/zinc/48/98/52/609489852.db2.gz KQZFINIRCHGLKB-CQSZACIVSA-N -1 3 388.472 3.075 20 0 GGADHM CC(C)Oc1ccc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC000824329185 609489854 /nfs/dbraw/zinc/48/98/54/609489854.db2.gz KQZFINIRCHGLKB-CQSZACIVSA-N -1 3 388.472 3.075 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2c(C)nc3ccccn32)cc1-c1nnn[n-]1 ZINC000825553245 609490970 /nfs/dbraw/zinc/49/09/70/609490970.db2.gz OUZLUXXNQXDNMO-UHFFFAOYSA-N -1 3 392.423 3.003 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2c(C)nc3ccccn32)cc1-c1nn[n-]n1 ZINC000825553245 609490973 /nfs/dbraw/zinc/49/09/73/609490973.db2.gz OUZLUXXNQXDNMO-UHFFFAOYSA-N -1 3 392.423 3.003 20 0 GGADHM CCc1nn(C)c(Cl)c1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825759283 609491388 /nfs/dbraw/zinc/49/13/88/609491388.db2.gz BHXWPTKJQGIQLB-UHFFFAOYSA-N -1 3 375.864 3.215 20 0 GGADHM CCc1nn(C)c(Cl)c1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825759283 609491390 /nfs/dbraw/zinc/49/13/90/609491390.db2.gz BHXWPTKJQGIQLB-UHFFFAOYSA-N -1 3 375.864 3.215 20 0 GGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000826111875 609505936 /nfs/dbraw/zinc/50/59/36/609505936.db2.gz NSQBINVZRSWCOA-MGPLVRAMSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000826111875 609505937 /nfs/dbraw/zinc/50/59/37/609505937.db2.gz NSQBINVZRSWCOA-MGPLVRAMSA-N -1 3 389.818 3.224 20 0 GGADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCO1 ZINC000825253850 609506254 /nfs/dbraw/zinc/50/62/54/609506254.db2.gz OKSWSCJJVBEAIV-VXGBXAGGSA-N -1 3 375.498 3.341 20 0 GGADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCO1 ZINC000825253850 609506256 /nfs/dbraw/zinc/50/62/56/609506256.db2.gz OKSWSCJJVBEAIV-VXGBXAGGSA-N -1 3 375.498 3.341 20 0 GGADHM CC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825184430 609508324 /nfs/dbraw/zinc/50/83/24/609508324.db2.gz UPYPWFNVELRUAE-NEPJUHHUSA-N -1 3 375.498 3.341 20 0 GGADHM CC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825184430 609508326 /nfs/dbraw/zinc/50/83/26/609508326.db2.gz UPYPWFNVELRUAE-NEPJUHHUSA-N -1 3 375.498 3.341 20 0 GGADHM CC(C)c1ccc([C@H](C)NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347919 609509629 /nfs/dbraw/zinc/50/96/29/609509629.db2.gz SOCVRKVNCPKWSD-AWEZNQCLSA-N -1 3 385.493 3.171 20 0 GGADHM CC(C)c1ccc([C@H](C)NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347919 609509630 /nfs/dbraw/zinc/50/96/30/609509630.db2.gz SOCVRKVNCPKWSD-AWEZNQCLSA-N -1 3 385.493 3.171 20 0 GGADHM O=C(NC[C@@H]1CCCCS1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826435737 609513509 /nfs/dbraw/zinc/51/35/09/609513509.db2.gz WNPJEDGJQCKJQM-INIZCTEOSA-N -1 3 396.476 3.070 20 0 GGADHM O=C(NC[C@@H]1CCCCS1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826435737 609513513 /nfs/dbraw/zinc/51/35/13/609513513.db2.gz WNPJEDGJQCKJQM-INIZCTEOSA-N -1 3 396.476 3.070 20 0 GGADHM CC1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCC(F)(F)CC1 ZINC000824829516 609514548 /nfs/dbraw/zinc/51/45/48/609514548.db2.gz FKEOFFJEDROCCR-UHFFFAOYSA-N -1 3 381.452 3.184 20 0 GGADHM CC1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCC(F)(F)CC1 ZINC000824829516 609514550 /nfs/dbraw/zinc/51/45/50/609514550.db2.gz FKEOFFJEDROCCR-UHFFFAOYSA-N -1 3 381.452 3.184 20 0 GGADHM COC(=O)[C@@H](c1c(F)cccc1Cl)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826117967 609515530 /nfs/dbraw/zinc/51/55/30/609515530.db2.gz WBSYQNJEWNTCPG-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM COC(=O)[C@@H](c1c(F)cccc1Cl)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826117967 609515532 /nfs/dbraw/zinc/51/55/32/609515532.db2.gz WBSYQNJEWNTCPG-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000826427118 609516786 /nfs/dbraw/zinc/51/67/86/609516786.db2.gz GQDZNDQMQTWVHM-LLVKDONJSA-N -1 3 389.309 3.240 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000826427118 609516789 /nfs/dbraw/zinc/51/67/89/609516789.db2.gz GQDZNDQMQTWVHM-LLVKDONJSA-N -1 3 389.309 3.240 20 0 GGADHM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824962210 609524773 /nfs/dbraw/zinc/52/47/73/609524773.db2.gz QFJRKVWLUVKVNZ-NSHDSACASA-N -1 3 389.868 3.223 20 0 GGADHM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824962210 609524775 /nfs/dbraw/zinc/52/47/75/609524775.db2.gz QFJRKVWLUVKVNZ-NSHDSACASA-N -1 3 389.868 3.223 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824962209 609524961 /nfs/dbraw/zinc/52/49/61/609524961.db2.gz QFJRKVWLUVKVNZ-LLVKDONJSA-N -1 3 389.868 3.223 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824962209 609524963 /nfs/dbraw/zinc/52/49/63/609524963.db2.gz QFJRKVWLUVKVNZ-LLVKDONJSA-N -1 3 389.868 3.223 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCO1 ZINC000825181046 609529984 /nfs/dbraw/zinc/52/99/84/609529984.db2.gz BVYKMFLQULONOZ-GOEBONIOSA-N -1 3 394.435 3.198 20 0 GGADHM Cc1c([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC000826311449 609532188 /nfs/dbraw/zinc/53/21/88/609532188.db2.gz FGYHXBXICQEVKN-GFCCVEGCSA-N -1 3 378.415 3.376 20 0 GGADHM Cc1c([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000826311449 609532190 /nfs/dbraw/zinc/53/21/90/609532190.db2.gz FGYHXBXICQEVKN-GFCCVEGCSA-N -1 3 378.415 3.376 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000824641772 609534406 /nfs/dbraw/zinc/53/44/06/609534406.db2.gz YQTQVZRRSLVUBP-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000824641772 609534409 /nfs/dbraw/zinc/53/44/09/609534409.db2.gz YQTQVZRRSLVUBP-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824764846 609535512 /nfs/dbraw/zinc/53/55/12/609535512.db2.gz YSHNCDAONXLBPR-SNVBAGLBSA-N -1 3 395.847 3.041 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824764846 609535514 /nfs/dbraw/zinc/53/55/14/609535514.db2.gz YSHNCDAONXLBPR-SNVBAGLBSA-N -1 3 395.847 3.041 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1c1cccs1 ZINC000826494470 609535929 /nfs/dbraw/zinc/53/59/29/609535929.db2.gz DEULJSQFEDUQFW-LBPRGKRZSA-N -1 3 395.897 3.107 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1c1cccs1 ZINC000826494470 609535931 /nfs/dbraw/zinc/53/59/31/609535931.db2.gz DEULJSQFEDUQFW-LBPRGKRZSA-N -1 3 395.897 3.107 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccnc(N3CCCCC3)c2)c1-c1nnn[n-]1 ZINC000826240476 609535993 /nfs/dbraw/zinc/53/59/93/609535993.db2.gz VGDWYZCPENXJKV-UHFFFAOYSA-N -1 3 384.875 3.221 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccnc(N3CCCCC3)c2)c1-c1nn[n-]n1 ZINC000826240476 609535995 /nfs/dbraw/zinc/53/59/95/609535995.db2.gz VGDWYZCPENXJKV-UHFFFAOYSA-N -1 3 384.875 3.221 20 0 GGADHM COc1cccc(Oc2ccc(CNc3nccc(C)c3-c3nnn[n-]3)cn2)c1 ZINC000826217571 609536077 /nfs/dbraw/zinc/53/60/77/609536077.db2.gz SUADHALXRQMNQG-UHFFFAOYSA-N -1 3 389.419 3.378 20 0 GGADHM COc1cccc(Oc2ccc(CNc3nccc(C)c3-c3nn[n-]n3)cn2)c1 ZINC000826217571 609536079 /nfs/dbraw/zinc/53/60/79/609536079.db2.gz SUADHALXRQMNQG-UHFFFAOYSA-N -1 3 389.419 3.378 20 0 GGADHM Cc1c(Cl)cnc(N(C)Cc2ccn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826236815 609536702 /nfs/dbraw/zinc/53/67/02/609536702.db2.gz CWHUMZOFKMAHAA-UHFFFAOYSA-N -1 3 380.843 3.046 20 0 GGADHM Cc1c(Cl)cnc(N(C)Cc2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826236815 609536705 /nfs/dbraw/zinc/53/67/05/609536705.db2.gz CWHUMZOFKMAHAA-UHFFFAOYSA-N -1 3 380.843 3.046 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826239766 609539933 /nfs/dbraw/zinc/53/99/33/609539933.db2.gz PPNNTDXOCXIPNI-GFCCVEGCSA-N -1 3 387.850 3.301 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826239766 609539935 /nfs/dbraw/zinc/53/99/35/609539935.db2.gz PPNNTDXOCXIPNI-GFCCVEGCSA-N -1 3 387.850 3.301 20 0 GGADHM COc1ccc(C)cc1C1(CNc2nccc(C)c2-c2nnn[n-]2)CCOCC1 ZINC000826189663 609539999 /nfs/dbraw/zinc/53/99/99/609539999.db2.gz AWQMOQRSJXWTOA-UHFFFAOYSA-N -1 3 394.479 3.047 20 0 GGADHM COc1ccc(C)cc1C1(CNc2nccc(C)c2-c2nn[n-]n2)CCOCC1 ZINC000826189663 609540001 /nfs/dbraw/zinc/54/00/01/609540001.db2.gz AWQMOQRSJXWTOA-UHFFFAOYSA-N -1 3 394.479 3.047 20 0 GGADHM CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824297805 609540356 /nfs/dbraw/zinc/54/03/56/609540356.db2.gz ZYXXQYIRTQTSQP-UHFFFAOYSA-N -1 3 397.913 3.181 20 0 GGADHM CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824297805 609540359 /nfs/dbraw/zinc/54/03/59/609540359.db2.gz ZYXXQYIRTQTSQP-UHFFFAOYSA-N -1 3 397.913 3.181 20 0 GGADHM CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825396027 609542371 /nfs/dbraw/zinc/54/23/71/609542371.db2.gz ZTQYQIYCWVDBRR-FZMZJTMJSA-N -1 3 383.905 3.109 20 0 GGADHM CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825396027 609542372 /nfs/dbraw/zinc/54/23/72/609542372.db2.gz ZTQYQIYCWVDBRR-FZMZJTMJSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825059820 609544887 /nfs/dbraw/zinc/54/48/87/609544887.db2.gz KUSHJTLCFMMULO-MNOVXSKESA-N -1 3 383.905 3.108 20 0 GGADHM CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825059820 609544888 /nfs/dbraw/zinc/54/48/88/609544888.db2.gz KUSHJTLCFMMULO-MNOVXSKESA-N -1 3 383.905 3.108 20 0 GGADHM Cc1c(Cl)cnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1-c1nnn[n-]1 ZINC000826238368 609547165 /nfs/dbraw/zinc/54/71/65/609547165.db2.gz DUEZNGYDZWPKIT-AWEZNQCLSA-N -1 3 392.797 3.080 20 0 GGADHM Cc1c(Cl)cnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1-c1nn[n-]n1 ZINC000826238368 609547167 /nfs/dbraw/zinc/54/71/67/609547167.db2.gz DUEZNGYDZWPKIT-AWEZNQCLSA-N -1 3 392.797 3.080 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)[C@@H]1CCCC[C@H]1C ZINC000825379723 609553195 /nfs/dbraw/zinc/55/31/95/609553195.db2.gz KEGRPWNCSJTPAW-AUUYWEPGSA-N -1 3 393.495 3.402 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)[C@@H]1CCCC[C@H]1C ZINC000825379723 609553197 /nfs/dbraw/zinc/55/31/97/609553197.db2.gz KEGRPWNCSJTPAW-AUUYWEPGSA-N -1 3 393.495 3.402 20 0 GGADHM CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824244448 609554709 /nfs/dbraw/zinc/55/47/09/609554709.db2.gz RJBPGTDVZOGJKS-ZDUSSCGKSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824244448 609554711 /nfs/dbraw/zinc/55/47/11/609554711.db2.gz RJBPGTDVZOGJKS-ZDUSSCGKSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000825195246 609560604 /nfs/dbraw/zinc/56/06/04/609560604.db2.gz VQAKTEWXCMBIPO-OAHLLOKOSA-N -1 3 379.468 3.013 20 0 GGADHM CC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000825195246 609560607 /nfs/dbraw/zinc/56/06/07/609560607.db2.gz VQAKTEWXCMBIPO-OAHLLOKOSA-N -1 3 379.468 3.013 20 0 GGADHM COc1cc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000826179786 609561316 /nfs/dbraw/zinc/56/13/16/609561316.db2.gz DNJIELXUPOFLMX-UHFFFAOYSA-N -1 3 381.827 3.392 20 0 GGADHM COc1cc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000826179786 609561318 /nfs/dbraw/zinc/56/13/18/609561318.db2.gz DNJIELXUPOFLMX-UHFFFAOYSA-N -1 3 381.827 3.392 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258032 609563155 /nfs/dbraw/zinc/56/31/55/609563155.db2.gz XIOROMHILXGKTJ-QGZVFWFLSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258032 609563156 /nfs/dbraw/zinc/56/31/56/609563156.db2.gz XIOROMHILXGKTJ-QGZVFWFLSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259142 609568030 /nfs/dbraw/zinc/56/80/30/609568030.db2.gz JDTZWDGJSUWIDZ-ZMSDIMECSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259142 609568032 /nfs/dbraw/zinc/56/80/32/609568032.db2.gz JDTZWDGJSUWIDZ-ZMSDIMECSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1c(Cl)cnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1-c1nnn[n-]1 ZINC000826236812 609568402 /nfs/dbraw/zinc/56/84/02/609568402.db2.gz CSZWTHAKQRFRKP-QYOLQKOISA-N -1 3 390.900 3.158 20 0 GGADHM Cc1c(Cl)cnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1-c1nn[n-]n1 ZINC000826236812 609568404 /nfs/dbraw/zinc/56/84/04/609568404.db2.gz CSZWTHAKQRFRKP-QYOLQKOISA-N -1 3 390.900 3.158 20 0 GGADHM Cc1c(Cl)cnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1-c1nnn[n-]1 ZINC000826236813 609568999 /nfs/dbraw/zinc/56/89/99/609568999.db2.gz CSZWTHAKQRFRKP-RPHGYIDUSA-N -1 3 390.900 3.158 20 0 GGADHM Cc1c(Cl)cnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1-c1nn[n-]n1 ZINC000826236813 609569002 /nfs/dbraw/zinc/56/90/02/609569002.db2.gz CSZWTHAKQRFRKP-RPHGYIDUSA-N -1 3 390.900 3.158 20 0 GGADHM Cc1ccccc1[C@H]1CN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)[C@H](C)CO1 ZINC000826306701 609570622 /nfs/dbraw/zinc/57/06/22/609570622.db2.gz IILHEWKVYNTYMJ-MLGOLLRUSA-N -1 3 384.871 3.498 20 0 GGADHM Cc1ccccc1[C@H]1CN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)[C@H](C)CO1 ZINC000826306701 609570623 /nfs/dbraw/zinc/57/06/23/609570623.db2.gz IILHEWKVYNTYMJ-MLGOLLRUSA-N -1 3 384.871 3.498 20 0 GGADHM Cc1cc(C(=O)N2Cc3ccccc3[C@@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258255 609571284 /nfs/dbraw/zinc/57/12/84/609571284.db2.gz FNPDUHXTLKOQJP-AWEZNQCLSA-N -1 3 385.431 3.078 20 0 GGADHM Cc1cc(C(=O)N2Cc3ccccc3[C@@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258255 609571286 /nfs/dbraw/zinc/57/12/86/609571286.db2.gz FNPDUHXTLKOQJP-AWEZNQCLSA-N -1 3 385.431 3.078 20 0 GGADHM CCC1(CC)CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000825171936 609573827 /nfs/dbraw/zinc/57/38/27/609573827.db2.gz WTWRCEXVHKCRSX-UHFFFAOYSA-N -1 3 379.468 3.013 20 0 GGADHM CCC1(CC)CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000825171936 609573829 /nfs/dbraw/zinc/57/38/29/609573829.db2.gz WTWRCEXVHKCRSX-UHFFFAOYSA-N -1 3 379.468 3.013 20 0 GGADHM CCC[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000825253865 609573864 /nfs/dbraw/zinc/57/38/64/609573864.db2.gz OSJAQNSDCWHKDJ-HNNXBMFYSA-N -1 3 379.468 3.013 20 0 GGADHM CCC[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000825253865 609573867 /nfs/dbraw/zinc/57/38/67/609573867.db2.gz OSJAQNSDCWHKDJ-HNNXBMFYSA-N -1 3 379.468 3.013 20 0 GGADHM Cc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)c(OCC(F)(F)F)c1 ZINC000826288511 609573928 /nfs/dbraw/zinc/57/39/28/609573928.db2.gz JZVNAPJCXPLIHI-UHFFFAOYSA-N -1 3 378.358 3.432 20 0 GGADHM Cc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)c(OCC(F)(F)F)c1 ZINC000826288511 609573929 /nfs/dbraw/zinc/57/39/29/609573929.db2.gz JZVNAPJCXPLIHI-UHFFFAOYSA-N -1 3 378.358 3.432 20 0 GGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1-c1nnn[n-]1 ZINC000826237415 609574426 /nfs/dbraw/zinc/57/44/26/609574426.db2.gz ZAGDPHORZUMYTE-RNCFNFMXSA-N -1 3 376.873 3.251 20 0 GGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1-c1nn[n-]n1 ZINC000826237415 609574427 /nfs/dbraw/zinc/57/44/27/609574427.db2.gz ZAGDPHORZUMYTE-RNCFNFMXSA-N -1 3 376.873 3.251 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCCCC2(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259477 609574878 /nfs/dbraw/zinc/57/48/78/609574878.db2.gz UFBJQRQMFBAULZ-KRWDZBQOSA-N -1 3 379.468 3.059 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCCCC2(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259477 609574880 /nfs/dbraw/zinc/57/48/80/609574880.db2.gz UFBJQRQMFBAULZ-KRWDZBQOSA-N -1 3 379.468 3.059 20 0 GGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824906461 609576478 /nfs/dbraw/zinc/57/64/78/609576478.db2.gz BRNVAXHZVFNJGJ-YUMQZZPRSA-N -1 3 380.296 3.448 20 0 GGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824906461 609576480 /nfs/dbraw/zinc/57/64/80/609576480.db2.gz BRNVAXHZVFNJGJ-YUMQZZPRSA-N -1 3 380.296 3.448 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2Cn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000826237861 609580366 /nfs/dbraw/zinc/58/03/66/609580366.db2.gz NSSPZMOUVMLFNU-CYBMUJFWSA-N -1 3 394.870 3.242 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2Cn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000826237861 609580370 /nfs/dbraw/zinc/58/03/70/609580370.db2.gz NSSPZMOUVMLFNU-CYBMUJFWSA-N -1 3 394.870 3.242 20 0 GGADHM C[C@H]1CC(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)C[C@H](C)C1 ZINC000824875262 609582552 /nfs/dbraw/zinc/58/25/52/609582552.db2.gz KFYIEDHPRBAIGU-JDPPGYRCSA-N -1 3 398.511 3.140 20 0 GGADHM C[C@H]1CC(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)C[C@H](C)C1 ZINC000824875262 609582554 /nfs/dbraw/zinc/58/25/54/609582554.db2.gz KFYIEDHPRBAIGU-JDPPGYRCSA-N -1 3 398.511 3.140 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825059920 609584582 /nfs/dbraw/zinc/58/45/82/609584582.db2.gz MCMBWUHDFATWTQ-LIRRHRJNSA-N -1 3 393.495 3.402 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825059920 609584584 /nfs/dbraw/zinc/58/45/84/609584584.db2.gz MCMBWUHDFATWTQ-LIRRHRJNSA-N -1 3 393.495 3.402 20 0 GGADHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1C(C)=O ZINC000826211390 609586327 /nfs/dbraw/zinc/58/63/27/609586327.db2.gz AJGJEFCCTPBKDW-UHFFFAOYSA-N -1 3 390.346 3.258 20 0 GGADHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1C(C)=O ZINC000826211390 609586328 /nfs/dbraw/zinc/58/63/28/609586328.db2.gz AJGJEFCCTPBKDW-UHFFFAOYSA-N -1 3 390.346 3.258 20 0 GGADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC000826301861 609587650 /nfs/dbraw/zinc/58/76/50/609587650.db2.gz RVIDVPRGKXSMAU-GZKZCVOOSA-N -1 3 395.488 3.042 20 0 GGADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000826301861 609587654 /nfs/dbraw/zinc/58/76/54/609587654.db2.gz RVIDVPRGKXSMAU-GZKZCVOOSA-N -1 3 395.488 3.042 20 0 GGADHM Fc1ccc(-c2noc(CCCNc3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826373662 609588853 /nfs/dbraw/zinc/58/88/53/609588853.db2.gz VNHIRRLANDCQQJ-UHFFFAOYSA-N -1 3 383.362 3.240 20 0 GGADHM Fc1ccc(-c2noc(CCCNc3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826373662 609588856 /nfs/dbraw/zinc/58/88/56/609588856.db2.gz VNHIRRLANDCQQJ-UHFFFAOYSA-N -1 3 383.362 3.240 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@H]2CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257639 609593409 /nfs/dbraw/zinc/59/34/09/609593409.db2.gz KDNABDJVSZEELF-KRWDZBQOSA-N -1 3 393.495 3.402 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@H]2CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257639 609593411 /nfs/dbraw/zinc/59/34/11/609593411.db2.gz KDNABDJVSZEELF-KRWDZBQOSA-N -1 3 393.495 3.402 20 0 GGADHM CN(C(=O)c1csc(Cc2cccc(F)c2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825833206 609595546 /nfs/dbraw/zinc/59/55/46/609595546.db2.gz BOYVTLXCKMDXSA-UHFFFAOYSA-N -1 3 394.435 3.330 20 0 GGADHM CN(C(=O)c1csc(Cc2cccc(F)c2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825833206 609595548 /nfs/dbraw/zinc/59/55/48/609595548.db2.gz BOYVTLXCKMDXSA-UHFFFAOYSA-N -1 3 394.435 3.330 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccc(-c3nnn[n-]3)cc1)[C@@H](C)C2 ZINC000826293994 609596456 /nfs/dbraw/zinc/59/64/56/609596456.db2.gz GMYZMRUFFGGXBW-IQUTYRLHSA-N -1 3 376.464 3.469 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccc(-c3nn[n-]n3)cc1)[C@@H](C)C2 ZINC000826293994 609596457 /nfs/dbraw/zinc/59/64/57/609596457.db2.gz GMYZMRUFFGGXBW-IQUTYRLHSA-N -1 3 376.464 3.469 20 0 GGADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cnc1N1CCCC[C@@H]1C ZINC000826269944 609596494 /nfs/dbraw/zinc/59/64/94/609596494.db2.gz DIOOMPKBRKJJTD-HNNXBMFYSA-N -1 3 391.479 3.130 20 0 GGADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cnc1N1CCCC[C@@H]1C ZINC000826269944 609596496 /nfs/dbraw/zinc/59/64/96/609596496.db2.gz DIOOMPKBRKJJTD-HNNXBMFYSA-N -1 3 391.479 3.130 20 0 GGADHM C[C@H](NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824488725 609605742 /nfs/dbraw/zinc/60/57/42/609605742.db2.gz HRQQXKGGCURULY-UHIISALHSA-N -1 3 382.390 3.300 20 0 GGADHM C[C@H](NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824488725 609605744 /nfs/dbraw/zinc/60/57/44/609605744.db2.gz HRQQXKGGCURULY-UHIISALHSA-N -1 3 382.390 3.300 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826440619 609605933 /nfs/dbraw/zinc/60/59/33/609605933.db2.gz UDPZAIHUXDDJER-XSFOEPMVSA-N -1 3 392.438 3.393 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826440619 609605935 /nfs/dbraw/zinc/60/59/35/609605935.db2.gz UDPZAIHUXDDJER-XSFOEPMVSA-N -1 3 392.438 3.393 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826423360 609607324 /nfs/dbraw/zinc/60/73/24/609607324.db2.gz LELLKILVMKLXTD-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826423360 609607326 /nfs/dbraw/zinc/60/73/26/609607326.db2.gz LELLKILVMKLXTD-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)C2)c1 ZINC000826264583 609609193 /nfs/dbraw/zinc/60/91/93/609609193.db2.gz SWQRHEYMWBDWBY-MRXNPFEDSA-N -1 3 394.454 3.322 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)C2)c1 ZINC000826264583 609609196 /nfs/dbraw/zinc/60/91/96/609609196.db2.gz SWQRHEYMWBDWBY-MRXNPFEDSA-N -1 3 394.454 3.322 20 0 GGADHM O=C(COC/C=C/c1ccccc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826416899 609613569 /nfs/dbraw/zinc/61/35/69/609613569.db2.gz VPUCXNZGKDTTBY-QPJJXVBHSA-N -1 3 384.823 3.293 20 0 GGADHM O=C(COC/C=C/c1ccccc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826416899 609613570 /nfs/dbraw/zinc/61/35/70/609613570.db2.gz VPUCXNZGKDTTBY-QPJJXVBHSA-N -1 3 384.823 3.293 20 0 GGADHM Cc1nn(C(F)F)c(C)c1CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826333075 609614852 /nfs/dbraw/zinc/61/48/52/609614852.db2.gz SKLLJYODQTZSBD-UHFFFAOYSA-N -1 3 396.785 3.014 20 0 GGADHM Cc1nn(C(F)F)c(C)c1CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826333075 609614853 /nfs/dbraw/zinc/61/48/53/609614853.db2.gz SKLLJYODQTZSBD-UHFFFAOYSA-N -1 3 396.785 3.014 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000826465406 609616780 /nfs/dbraw/zinc/61/67/80/609616780.db2.gz MCMGMMHZEZNVKL-HNNXBMFYSA-N -1 3 391.214 3.220 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000826465406 609616781 /nfs/dbraw/zinc/61/67/81/609616781.db2.gz MCMGMMHZEZNVKL-HNNXBMFYSA-N -1 3 391.214 3.220 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000826465326 609617708 /nfs/dbraw/zinc/61/77/08/609617708.db2.gz IDNHEPWRWYTYDK-UHFFFAOYSA-N -1 3 399.769 3.270 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000826465326 609617710 /nfs/dbraw/zinc/61/77/10/609617710.db2.gz IDNHEPWRWYTYDK-UHFFFAOYSA-N -1 3 399.769 3.270 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(-n2cccn2)c1 ZINC000826465710 609617961 /nfs/dbraw/zinc/61/79/61/609617961.db2.gz YRUIHJLSHCIQLU-UHFFFAOYSA-N -1 3 380.795 3.063 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(-n2cccn2)c1 ZINC000826465710 609617963 /nfs/dbraw/zinc/61/79/63/609617963.db2.gz YRUIHJLSHCIQLU-UHFFFAOYSA-N -1 3 380.795 3.063 20 0 GGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(F)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260672 609626799 /nfs/dbraw/zinc/62/67/99/609626799.db2.gz AHRULZASTOZXQZ-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(F)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260672 609626800 /nfs/dbraw/zinc/62/68/00/609626800.db2.gz AHRULZASTOZXQZ-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM C[C@@H](CCSc1ccccc1)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406490 609630312 /nfs/dbraw/zinc/63/03/12/609630312.db2.gz LLQMXOHUVGLSOY-GUYCJALGSA-N -1 3 384.461 3.014 20 0 GGADHM C[C@@H](CCSc1ccccc1)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406490 609630314 /nfs/dbraw/zinc/63/03/14/609630314.db2.gz LLQMXOHUVGLSOY-GUYCJALGSA-N -1 3 384.461 3.014 20 0 GGADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1n[nH]c(C2CC2)c1Br ZINC000636352059 652800332 /nfs/dbraw/zinc/80/03/32/652800332.db2.gz HWKJXVUOCJHAOB-ZETCQYMHSA-N -1 3 384.259 3.005 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000053020610 1406263758 /nfs/dbraw/zinc/26/37/58/1406263758.db2.gz CUJGSOAQWWXJMR-UHFFFAOYSA-N -1 3 376.844 3.157 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=NO[C@H](c4ccccc4)C3)c2)n1 ZINC000053060887 1406279813 /nfs/dbraw/zinc/27/98/13/1406279813.db2.gz SQKSIVBKSAJKFR-IBGZPJMESA-N -1 3 388.427 3.455 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)CCC(=O)N4)nc(=O)c2c1C ZINC000053230853 1406334683 /nfs/dbraw/zinc/33/46/83/1406334683.db2.gz PPAHEZZGWDLKAH-SNVBAGLBSA-N -1 3 397.456 3.404 20 0 GGADHM O=C(NCc1cccc(OCc2ccccn2)c1)c1cc2c(cc1[O-])OCO2 ZINC000053324208 1406364723 /nfs/dbraw/zinc/36/47/23/1406364723.db2.gz IFUSRECCXNCFLT-UHFFFAOYSA-N -1 3 378.384 3.025 20 0 GGADHM COc1cc([C@@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1OC1CCCC1 ZINC000053483963 1406413342 /nfs/dbraw/zinc/41/33/42/1406413342.db2.gz WGUBUNVXAKETDK-CYBMUJFWSA-N -1 3 399.491 3.137 20 0 GGADHM COc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c([O-])c1 ZINC000053553832 1406441584 /nfs/dbraw/zinc/44/15/84/1406441584.db2.gz QPKUUFVWOLSPQP-UHFFFAOYSA-N -1 3 375.371 3.414 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000053686611 1406478826 /nfs/dbraw/zinc/47/88/26/1406478826.db2.gz ZPCWBIARYZHGJQ-OCCSQVGLSA-N -1 3 384.423 3.218 20 0 GGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742776 1406497917 /nfs/dbraw/zinc/49/79/17/1406497917.db2.gz IHNJMKYYGKYWAT-MRXNPFEDSA-N -1 3 384.476 3.138 20 0 GGADHM O=C(NCCNC(=O)c1cccnc1Sc1ccccc1)c1ccc([O-])cc1 ZINC000053742284 1406497939 /nfs/dbraw/zinc/49/79/39/1406497939.db2.gz JIZBEDGSUYUDSJ-UHFFFAOYSA-N -1 3 393.468 3.098 20 0 GGADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742775 1406498209 /nfs/dbraw/zinc/49/82/09/1406498209.db2.gz IHNJMKYYGKYWAT-INIZCTEOSA-N -1 3 384.476 3.138 20 0 GGADHM CC(C)(C)c1ccc2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)[nH]c2c1 ZINC000053742434 1406498478 /nfs/dbraw/zinc/49/84/78/1406498478.db2.gz AUJHYZHDSWBAAI-UHFFFAOYSA-N -1 3 379.460 3.331 20 0 GGADHM Cc1cccn2cc(-c3ccc(NC(=O)Cc4c(C)nc(C)[n-]c4=O)cc3)nc12 ZINC000053837772 1406528520 /nfs/dbraw/zinc/52/85/20/1406528520.db2.gz CAGDXRIDPBNLTM-UHFFFAOYSA-N -1 3 387.443 3.191 20 0 GGADHM CC(C)OCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000053920008 1406557267 /nfs/dbraw/zinc/55/72/67/1406557267.db2.gz JELSSXWZROSJOZ-UHFFFAOYSA-N -1 3 396.292 3.016 20 0 GGADHM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000053988708 1406578282 /nfs/dbraw/zinc/57/82/82/1406578282.db2.gz GXBUUWASYLBECC-UHFFFAOYSA-N -1 3 397.406 3.355 20 0 GGADHM CC(C)Oc1ncc(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1Cl ZINC000054146690 1406631617 /nfs/dbraw/zinc/63/16/17/1406631617.db2.gz UBPVDTYLQIPZFS-UHFFFAOYSA-N -1 3 384.823 3.145 20 0 GGADHM Cc1nc(C)c(CC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)c(=O)[n-]1 ZINC000054286223 1406680940 /nfs/dbraw/zinc/68/09/40/1406680940.db2.gz DXFVRFULUVTURA-UHFFFAOYSA-N -1 3 396.535 3.012 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000054361806 1406701443 /nfs/dbraw/zinc/70/14/43/1406701443.db2.gz HXIUADNVZMCYIU-GFCCVEGCSA-N -1 3 382.851 3.214 20 0 GGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)OC)c(Cl)cc1Cl ZINC000054667522 1406800725 /nfs/dbraw/zinc/80/07/25/1406800725.db2.gz PZVOECGAMBHKRN-SECBINFHSA-N -1 3 383.297 3.094 20 0 GGADHM Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2c1[C@@H](C)CC2=O ZINC000054760678 1406819435 /nfs/dbraw/zinc/81/94/35/1406819435.db2.gz GXALBTZMPURYNU-LBPRGKRZSA-N -1 3 378.428 3.400 20 0 GGADHM Cc1ccc(C(=O)NNC(=S)Nc2cccc(Br)c2)c([O-])c1 ZINC000054959472 1406860858 /nfs/dbraw/zinc/86/08/58/1406860858.db2.gz NKSSXJMEDLVYCS-UHFFFAOYSA-N -1 3 380.267 3.095 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccccc2F)cc1OC ZINC000054984383 1406865664 /nfs/dbraw/zinc/86/56/64/1406865664.db2.gz OZKYDVPCKIILIK-UHFFFAOYSA-N -1 3 383.470 3.405 20 0 GGADHM 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390.461 3.243 20 0 GGADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)ccc21 ZINC000055571836 1407007797 /nfs/dbraw/zinc/00/77/97/1407007797.db2.gz MHPDIQDOYDZXRQ-UHFFFAOYSA-N -1 3 388.489 3.492 20 0 GGADHM Cc1cccc(O[C@@H](C)C(=O)N[N-]C(=O)c2cc(Cl)nc(Cl)c2)c1C ZINC000015758555 1399190663 /nfs/dbraw/zinc/19/06/63/1399190663.db2.gz KOYIFDBOHXEZLV-NSHDSACASA-N -1 3 382.247 3.234 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=S)Nc2cccc(C)c2)c1 ZINC000015887290 1399199039 /nfs/dbraw/zinc/19/90/39/1399199039.db2.gz GBNMKOVGRMNKQW-UHFFFAOYSA-N -1 3 394.294 3.398 20 0 GGADHM COc1ccc(CNC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000015908225 1399200273 /nfs/dbraw/zinc/20/02/73/1399200273.db2.gz BRHTYFAPTYKKOY-UHFFFAOYSA-N -1 3 384.288 3.311 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1OC ZINC000016122745 1399212629 /nfs/dbraw/zinc/21/26/29/1399212629.db2.gz BTWHDKPCXQNDGH-UHFFFAOYSA-N -1 3 376.478 3.413 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)ccc1OC(C)C ZINC000055579476 1407011073 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GGADHM Cc1c([O-])ccc2c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc12 ZINC000016516126 1399246827 /nfs/dbraw/zinc/24/68/27/1399246827.db2.gz RGOOFTDMTBVEEX-UHFFFAOYSA-N -1 3 395.415 3.037 20 0 GGADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055586072 1407013693 /nfs/dbraw/zinc/01/36/93/1407013693.db2.gz JHEQKMQHKLYWHQ-UHFFFAOYSA-N -1 3 386.477 3.391 20 0 GGADHM CCCN(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000016585442 1399251016 /nfs/dbraw/zinc/25/10/16/1399251016.db2.gz YFZUTRUYAZGNOZ-UHFFFAOYSA-N -1 3 385.489 3.492 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2ccc(I)cc2)c2ccccc21 ZINC000016719116 1399257490 /nfs/dbraw/zinc/25/74/90/1399257490.db2.gz XYKNVVALWWPGHQ-NTEUORMPSA-N -1 3 390.180 3.014 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc21 ZINC000016721317 1399258094 /nfs/dbraw/zinc/25/80/94/1399258094.db2.gz VGBQZKZCASZQSN-XMHGGMMESA-N -1 3 399.454 3.395 20 0 GGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000016720325 1399258140 /nfs/dbraw/zinc/25/81/40/1399258140.db2.gz NJXJSKXGBBYSJT-NTEUORMPSA-N -1 3 398.440 3.159 20 0 GGADHM CC1CCN(Cc2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)CC1 ZINC000016721032 1399258172 /nfs/dbraw/zinc/25/81/72/1399258172.db2.gz CJAOHPOORRYHHA-LICLKQGHSA-N -1 3 382.489 3.098 20 0 GGADHM O=C1[N-]C(=O)C(=CN=c2[nH]n3cc(-c4ccccc4)nc3s2)c2ccccc21 ZINC000016720092 1399258350 /nfs/dbraw/zinc/25/83/50/1399258350.db2.gz OXIKMWLFXONTHA-XNTDXEJSSA-N -1 3 387.424 3.181 20 0 GGADHM CC(C)c1nnc([N-]C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1 ZINC000016965873 1399267973 /nfs/dbraw/zinc/26/79/73/1399267973.db2.gz WALPKPBBZIUIJU-UHFFFAOYSA-N -1 3 391.474 3.481 20 0 GGADHM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1SC(F)F ZINC000017158396 1399275096 /nfs/dbraw/zinc/27/50/96/1399275096.db2.gz KZINUBVOPMLUDO-UHFFFAOYSA-N -1 3 381.448 3.374 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000017522136 1399284981 /nfs/dbraw/zinc/28/49/81/1399284981.db2.gz VRRUQIZVOQCZDY-INIZCTEOSA-N -1 3 397.834 3.420 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)cc1 ZINC000055594502 1407018139 /nfs/dbraw/zinc/01/81/39/1407018139.db2.gz BTEPGIHRDVFYIK-UHFFFAOYSA-N -1 3 376.478 3.039 20 0 GGADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000055594560 1407018303 /nfs/dbraw/zinc/01/83/03/1407018303.db2.gz CKNFBHBCDRYDIQ-UHFFFAOYSA-N -1 3 393.461 3.135 20 0 GGADHM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc2o1 ZINC000055610076 1407023397 /nfs/dbraw/zinc/02/33/97/1407023397.db2.gz IIKHHHOLSNEGTR-UHFFFAOYSA-N -1 3 375.402 3.337 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)cc1 ZINC000055608141 1407023607 /nfs/dbraw/zinc/02/36/07/1407023607.db2.gz DYSRZNRGBLJAPE-UHFFFAOYSA-N -1 3 390.461 3.228 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)cc1 ZINC000055616037 1407025899 /nfs/dbraw/zinc/02/58/99/1407025899.db2.gz MAFNATODNWRTRY-UHFFFAOYSA-N -1 3 378.450 3.243 20 0 GGADHM CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)s1 ZINC000021730960 1399404254 /nfs/dbraw/zinc/40/42/54/1399404254.db2.gz JJTGMAVIRLQMQU-UHFFFAOYSA-N -1 3 389.260 3.101 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1 ZINC000055631453 1407030790 /nfs/dbraw/zinc/03/07/90/1407030790.db2.gz SAFUOWOFKTVSCG-SFHVURJKSA-N -1 3 377.462 3.362 20 0 GGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000022475136 1399467312 /nfs/dbraw/zinc/46/73/12/1399467312.db2.gz JLIIDKWCVGTDJN-GFCCVEGCSA-N -1 3 392.249 3.359 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1OC ZINC000055631561 1407030829 /nfs/dbraw/zinc/03/08/29/1407030829.db2.gz QIDFQIHILMSFKT-INIZCTEOSA-N -1 3 393.461 3.062 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000055631647 1407030931 /nfs/dbraw/zinc/03/09/31/1407030931.db2.gz JEOCVDJVRFDAJT-SFHVURJKSA-N -1 3 390.461 3.004 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1N1CCCC1=O ZINC000023015841 1399525527 /nfs/dbraw/zinc/52/55/27/1399525527.db2.gz CTJBVRROAMZNTQ-UHFFFAOYSA-N -1 3 398.440 3.029 20 0 GGADHM CC(C)CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023137702 1399534931 /nfs/dbraw/zinc/53/49/31/1399534931.db2.gz LKWIECGIJOHPJN-UHFFFAOYSA-N -1 3 379.309 3.210 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)(C)C)c2)cc1 ZINC000023182906 1399536471 /nfs/dbraw/zinc/53/64/71/1399536471.db2.gz HZUVRFZBCZZZMP-UHFFFAOYSA-N -1 3 376.478 3.333 20 0 GGADHM CCc1cc2c(CN3CCN(Cc4ccsc4)CC3)cc(=O)oc2cc1[O-] ZINC000023375997 1399554379 /nfs/dbraw/zinc/55/43/79/1399554379.db2.gz ZKLPWWLRDGJJEL-UHFFFAOYSA-N -1 3 384.501 3.440 20 0 GGADHM O=C(Nc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1)c1ccco1 ZINC000023438902 1399560914 /nfs/dbraw/zinc/56/09/14/1399560914.db2.gz ZOXWRVJQYUDVOI-UHFFFAOYSA-N -1 3 392.383 3.289 20 0 GGADHM Cc1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000023625824 1399575154 /nfs/dbraw/zinc/57/51/54/1399575154.db2.gz YBCUOTJENOLYKC-UHFFFAOYSA-N -1 3 392.437 3.039 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000023987973 1399594773 /nfs/dbraw/zinc/59/47/73/1399594773.db2.gz MTTHZJPAMRHCLN-INIZCTEOSA-N -1 3 378.425 3.052 20 0 GGADHM CCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000024302377 1399619641 /nfs/dbraw/zinc/61/96/41/1399619641.db2.gz WVUZJUUOOPTHDB-ZDUSSCGKSA-N -1 3 387.509 3.105 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000024426967 1399629500 /nfs/dbraw/zinc/62/95/00/1399629500.db2.gz LPAYBUXJFFZAAN-UHFFFAOYSA-N -1 3 377.466 3.416 20 0 GGADHM C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000024501109 1399638176 /nfs/dbraw/zinc/63/81/76/1399638176.db2.gz LQBPHVWUVITLAV-UHFFFAOYSA-N -1 3 390.480 3.341 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024537393 1399640092 /nfs/dbraw/zinc/64/00/92/1399640092.db2.gz IZCLMLZNEMTJRS-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CC(C)(C)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000024542839 1399640438 /nfs/dbraw/zinc/64/04/38/1399640438.db2.gz SBYACZXGAJCPMR-UHFFFAOYSA-N -1 3 390.417 3.067 20 0 GGADHM CC(C)c1c(C(=O)N[N-]C(=O)c2ccccc2F)cnn1-c1ccc(F)cc1 ZINC000024551190 1399641547 /nfs/dbraw/zinc/64/15/47/1399641547.db2.gz JNYYCTOCQPGEST-UHFFFAOYSA-N -1 3 384.386 3.349 20 0 GGADHM COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1Cl ZINC000024556356 1399641612 /nfs/dbraw/zinc/64/16/12/1399641612.db2.gz LAQVJUDTLOLDIE-UHFFFAOYSA-N -1 3 398.843 3.181 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1Cl ZINC000024684014 1399656352 /nfs/dbraw/zinc/65/63/52/1399656352.db2.gz DBNCSQYCAJYXBK-NSHDSACASA-N -1 3 396.871 3.411 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(OC)c1 ZINC000024711353 1399661227 /nfs/dbraw/zinc/66/12/27/1399661227.db2.gz IHNRCROGVWFQPM-GOSISDBHSA-N -1 3 398.475 3.335 20 0 GGADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(C)cc1 ZINC000024746829 1399666045 /nfs/dbraw/zinc/66/60/45/1399666045.db2.gz SHHAEVNTQMUTOK-GOSISDBHSA-N -1 3 390.480 3.456 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000024882760 1399684698 /nfs/dbraw/zinc/68/46/98/1399684698.db2.gz ALHQVAABGXCEBM-UHFFFAOYSA-N -1 3 388.367 3.094 20 0 GGADHM CCCCOc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1OC ZINC000024883621 1399684965 /nfs/dbraw/zinc/68/49/65/1399684965.db2.gz RYRIZCIQLPQILF-UHFFFAOYSA-N -1 3 392.477 3.498 20 0 GGADHM CCOc1ccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024883511 1399685188 /nfs/dbraw/zinc/68/51/88/1399685188.db2.gz MRCFGTXDBHKXJO-UHFFFAOYSA-N -1 3 392.477 3.255 20 0 GGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024896114 1399688461 /nfs/dbraw/zinc/68/84/61/1399688461.db2.gz CSSIODGFQJFSHI-VKJFTORMSA-N -1 3 382.526 3.474 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024920226 1399692943 /nfs/dbraw/zinc/69/29/43/1399692943.db2.gz GKSOMHVRWKDPAN-UHFFFAOYSA-N -1 3 390.480 3.317 20 0 GGADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)c1nc(N)nc(N(C)C)n1 ZINC000024962879 1399703780 /nfs/dbraw/zinc/70/37/80/1399703780.db2.gz BYPKUKQNPSXACJ-MRVPVSSYSA-N -1 3 392.489 3.107 20 0 GGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c(C)c1 ZINC000055687690 1407057113 /nfs/dbraw/zinc/05/71/13/1407057113.db2.gz SYWIORLSJMDQJK-UHFFFAOYSA-N -1 3 390.505 3.263 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1F ZINC000055678348 1407052820 /nfs/dbraw/zinc/05/28/20/1407052820.db2.gz DPXOISKPKFHDNP-UHFFFAOYSA-N -1 3 383.441 3.359 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000025440159 1399808687 /nfs/dbraw/zinc/80/86/87/1399808687.db2.gz ZJUAIKCDZRQQFE-OAHLLOKOSA-N -1 3 397.500 3.287 20 0 GGADHM C[C@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000025472137 1399811844 /nfs/dbraw/zinc/81/18/44/1399811844.db2.gz IEYFVKSSWGJRGQ-CYBMUJFWSA-N -1 3 376.453 3.497 20 0 GGADHM CC(=O)NCc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000025589588 1399821816 /nfs/dbraw/zinc/82/18/16/1399821816.db2.gz FLJAYGJKLMBYSE-LLVKDONJSA-N -1 3 399.472 3.156 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000026251682 1399873293 /nfs/dbraw/zinc/87/32/93/1399873293.db2.gz KKRYMYGHFICFPL-UHFFFAOYSA-N -1 3 385.346 3.352 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000026251682 1399873296 /nfs/dbraw/zinc/87/32/96/1399873296.db2.gz KKRYMYGHFICFPL-UHFFFAOYSA-N -1 3 385.346 3.352 20 0 GGADHM Cn1cccc1C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000026429564 1399888607 /nfs/dbraw/zinc/88/86/07/1399888607.db2.gz SZBKOCFGFPLNCS-UHFFFAOYSA-N -1 3 399.863 3.076 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000026548975 1399898934 /nfs/dbraw/zinc/89/89/34/1399898934.db2.gz NKDQIROISLLBLO-OAHLLOKOSA-N -1 3 390.505 3.468 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000026548978 1399898958 /nfs/dbraw/zinc/89/89/58/1399898958.db2.gz NKDQIROISLLBLO-HNNXBMFYSA-N -1 3 390.505 3.468 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000027801407 1400094332 /nfs/dbraw/zinc/09/43/32/1400094332.db2.gz CLMBWXAJLAKAEN-QGZVFWFLSA-N -1 3 389.477 3.096 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1OCC ZINC000028082339 1400127383 /nfs/dbraw/zinc/12/73/83/1400127383.db2.gz VVRZXUVIBBEUPU-UHFFFAOYSA-N -1 3 387.461 3.471 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCC3=O)cc2)c(C)c1 ZINC000028254708 1400144023 /nfs/dbraw/zinc/14/40/23/1400144023.db2.gz AGUQTURMCPFWRZ-UHFFFAOYSA-N -1 3 386.473 3.062 20 0 GGADHM CCCc1nnc([N-]C(=O)c2cn(-c3ccc(Br)cc3)nn2)s1 ZINC000028965845 1400217304 /nfs/dbraw/zinc/21/73/04/1400217304.db2.gz WQDOXGBFFGMKHV-UHFFFAOYSA-N -1 3 393.270 3.086 20 0 GGADHM O=C(N[C@@H]1CCCc2ccccc21)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000028999433 1400223305 /nfs/dbraw/zinc/22/33/05/1400223305.db2.gz CTUZYUAGSIUNHW-GOSISDBHSA-N -1 3 388.464 3.074 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1F ZINC000029047864 1400229588 /nfs/dbraw/zinc/22/95/88/1400229588.db2.gz JZQYYAPXDCIRFP-UHFFFAOYSA-N -1 3 381.425 3.448 20 0 GGADHM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029047883 1400229648 /nfs/dbraw/zinc/22/96/48/1400229648.db2.gz LTZAHNTYMQWXDZ-UHFFFAOYSA-N -1 3 377.466 3.274 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c(C)c1 ZINC000029047909 1400229715 /nfs/dbraw/zinc/22/97/15/1400229715.db2.gz HFHBOCDBHZZDIE-UHFFFAOYSA-N -1 3 388.489 3.349 20 0 GGADHM O=C(Nc1cnc2ccccc2c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000029068086 1400233020 /nfs/dbraw/zinc/23/30/20/1400233020.db2.gz BDNVZOVPPZMIAT-UHFFFAOYSA-N -1 3 385.420 3.067 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc21 ZINC000029185640 1400256081 /nfs/dbraw/zinc/25/60/81/1400256081.db2.gz PODCHQSUBNDENR-RIYZIHGNSA-N -1 3 391.408 3.262 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1OC ZINC000029335887 1400284238 /nfs/dbraw/zinc/28/42/38/1400284238.db2.gz KSLQOWJNOHCQCW-UHFFFAOYSA-N -1 3 397.836 3.139 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Cl)nc3ccccc32)CC1 ZINC000029688414 1400336892 /nfs/dbraw/zinc/33/68/92/1400336892.db2.gz LXHWEDSFQAROIW-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000029690280 1400336910 /nfs/dbraw/zinc/33/69/10/1400336910.db2.gz CKXCZMJUOIZXOJ-QGZVFWFLSA-N -1 3 396.487 3.269 20 0 GGADHM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000029805553 1400354955 /nfs/dbraw/zinc/35/49/55/1400354955.db2.gz JXRZHBLDGAHDMO-UHFFFAOYSA-N -1 3 381.399 3.434 20 0 GGADHM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000029805553 1400354963 /nfs/dbraw/zinc/35/49/63/1400354963.db2.gz JXRZHBLDGAHDMO-UHFFFAOYSA-N -1 3 381.399 3.434 20 0 GGADHM O=S(=O)([N-]CCc1nccn1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000030005025 1400397009 /nfs/dbraw/zinc/39/70/09/1400397009.db2.gz MAMYUVGQEOPCMM-UHFFFAOYSA-N -1 3 393.871 3.245 20 0 GGADHM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000042777530 1400414292 /nfs/dbraw/zinc/41/42/92/1400414292.db2.gz YHENFIBPNSZDGH-UHFFFAOYSA-N -1 3 378.881 3.396 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cc(C)ccc2C)ccc1F ZINC000055895798 1407122441 /nfs/dbraw/zinc/12/24/41/1407122441.db2.gz XROYHVHRZVKUKX-UHFFFAOYSA-N -1 3 376.453 3.183 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1F ZINC000056064032 1407186878 /nfs/dbraw/zinc/18/68/78/1407186878.db2.gz OCQXEAGBPIXRED-UHFFFAOYSA-N -1 3 390.411 3.417 20 0 GGADHM Cc1cccc(C2(C(=O)N[N-]C(=O)c3ccc(F)cc3Br)CC2)c1 ZINC000056093674 1407200051 /nfs/dbraw/zinc/20/00/51/1407200051.db2.gz GZMWNGOUWDNXRX-UHFFFAOYSA-N -1 3 391.240 3.389 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000056127756 1407217370 /nfs/dbraw/zinc/21/73/70/1407217370.db2.gz NIUYGEFHUPMVAC-LBPRGKRZSA-N -1 3 382.851 3.214 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)N(C)c2ccc(F)c(F)c2)cc1 ZINC000056226139 1407260090 /nfs/dbraw/zinc/26/00/90/1407260090.db2.gz YSPNXVMBONGGKP-UHFFFAOYSA-N -1 3 398.431 3.157 20 0 GGADHM COc1ccccc1OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000056231762 1407262952 /nfs/dbraw/zinc/26/29/52/1407262952.db2.gz BSOMBNXYELSYOU-UHFFFAOYSA-N -1 3 390.392 3.182 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056252008 1407268319 /nfs/dbraw/zinc/26/83/19/1407268319.db2.gz WLZHSHVFHQACBM-CQSZACIVSA-N -1 3 398.850 3.046 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cc(C)ccc32)ccc1F ZINC000056317003 1407296759 /nfs/dbraw/zinc/29/67/59/1407296759.db2.gz VRVMGWYLJRQBTO-GOSISDBHSA-N -1 3 388.464 3.016 20 0 GGADHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2)n1 ZINC000056409532 1407323017 /nfs/dbraw/zinc/32/30/17/1407323017.db2.gz COKCJXGLYOGKHF-UHFFFAOYSA-N -1 3 398.488 3.042 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000056409675 1407323480 /nfs/dbraw/zinc/32/34/80/1407323480.db2.gz HSRSQHNZVAKFPP-UHFFFAOYSA-N -1 3 397.456 3.284 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000056409662 1407323604 /nfs/dbraw/zinc/32/36/04/1407323604.db2.gz POXDVKCKRAZLFR-UHFFFAOYSA-N -1 3 390.852 3.150 20 0 GGADHM CC(C)[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)N1CCOCC1 ZINC000042942177 1403677510 /nfs/dbraw/zinc/67/75/10/1403677510.db2.gz OQCCTBHCMYDQGH-AWEZNQCLSA-N -1 3 396.513 3.396 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3C[C@@H]3C)c2)cc1 ZINC000042984879 1403683022 /nfs/dbraw/zinc/68/30/22/1403683022.db2.gz JYRPYZJSEJBJNM-LSDHHAIUSA-N -1 3 388.489 3.190 20 0 GGADHM CC(C)OCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043061717 1403699125 /nfs/dbraw/zinc/69/91/25/1403699125.db2.gz YAVSEXCHOUWCMJ-UHFFFAOYSA-N -1 3 397.903 3.221 20 0 GGADHM COc1cc(C/N=C/c2cc(Cl)ccc2[O-])ccc1OCC(=O)N(C)C ZINC000044010024 1403858963 /nfs/dbraw/zinc/85/89/63/1403858963.db2.gz OUQPXPWERPMGKD-SRZZPIQSSA-N -1 3 376.840 3.140 20 0 GGADHM O=c1[n-]c(SCC[S@](=O)c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000044029194 1403863212 /nfs/dbraw/zinc/86/32/12/1403863212.db2.gz AXEKTLHSWSOKQU-HHHXNRCGSA-N -1 3 396.497 3.009 20 0 GGADHM CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C1CC1 ZINC000044545151 1403947476 /nfs/dbraw/zinc/94/74/76/1403947476.db2.gz VXEIPGNDYLOVTP-UHFFFAOYSA-N -1 3 388.489 3.429 20 0 GGADHM CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000044968943 1404027297 /nfs/dbraw/zinc/02/72/97/1404027297.db2.gz LILUQGXXCWRYTR-UHFFFAOYSA-N -1 3 393.465 3.288 20 0 GGADHM Cc1ccccc1C(=O)N[N-]C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044980889 1404028779 /nfs/dbraw/zinc/02/87/79/1404028779.db2.gz JCDOHWWZNCLPEM-UHFFFAOYSA-N -1 3 399.248 3.018 20 0 GGADHM CCOc1ccc(-c2nc(CC(=O)N[N-]C(=O)c3ccccc3F)cs2)cc1 ZINC000045053747 1404045387 /nfs/dbraw/zinc/04/53/87/1404045387.db2.gz QRDORPCCWVYQEG-UHFFFAOYSA-N -1 3 399.447 3.352 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)n3cccn3)cc2)cc1 ZINC000045056680 1404046712 /nfs/dbraw/zinc/04/67/12/1404046712.db2.gz DOWPVVUCUOFZTO-OAHLLOKOSA-N -1 3 384.461 3.192 20 0 GGADHM Cc1noc([C@H](C)Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000045104507 1404055560 /nfs/dbraw/zinc/05/55/60/1404055560.db2.gz XCIUKIVLSQTOKG-QMMMGPOBSA-N -1 3 388.840 3.307 20 0 GGADHM CN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000045144107 1404062443 /nfs/dbraw/zinc/06/24/43/1404062443.db2.gz DBJVFEJGQGIGGI-UHFFFAOYSA-N -1 3 399.447 3.294 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000045150102 1404063546 /nfs/dbraw/zinc/06/35/46/1404063546.db2.gz GPQWISZYZVGJGD-FQEVSTJZSA-N -1 3 381.476 3.257 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000045310356 1404095864 /nfs/dbraw/zinc/09/58/64/1404095864.db2.gz JDFKQWWECJUMCF-ZDUSSCGKSA-N -1 3 390.480 3.320 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000045309512 1404096201 /nfs/dbraw/zinc/09/62/01/1404096201.db2.gz VGOUKVUFPZCEHQ-UHFFFAOYSA-N -1 3 397.479 3.003 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1F ZINC000045348051 1404103625 /nfs/dbraw/zinc/10/36/25/1404103625.db2.gz OPDSIUAOVIVOBZ-LBPRGKRZSA-N -1 3 394.493 3.111 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1F ZINC000045348048 1404103627 /nfs/dbraw/zinc/10/36/27/1404103627.db2.gz OPDSIUAOVIVOBZ-GFCCVEGCSA-N -1 3 394.493 3.111 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)cc2)ccc1F ZINC000045365575 1404108076 /nfs/dbraw/zinc/10/80/76/1404108076.db2.gz NTDXGRLTNATJKD-CQSZACIVSA-N -1 3 376.453 3.089 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000045365581 1404108211 /nfs/dbraw/zinc/10/82/11/1404108211.db2.gz VPJWWVOAMITCFK-CYBMUJFWSA-N -1 3 376.453 3.066 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CCC(C)CC2)ccc1F ZINC000045416441 1404118618 /nfs/dbraw/zinc/11/86/18/1404118618.db2.gz GZAVYXUHMAZDFX-UHFFFAOYSA-N -1 3 394.512 3.473 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)ccc1F ZINC000045442274 1404122302 /nfs/dbraw/zinc/12/23/02/1404122302.db2.gz OQQLEXUCMIDIOC-HNNXBMFYSA-N -1 3 390.480 3.432 20 0 GGADHM C[C@H](CCc1ccco1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045885333 1404234746 /nfs/dbraw/zinc/23/47/46/1404234746.db2.gz KGWWCSFFHVOIOG-CYBMUJFWSA-N -1 3 396.484 3.247 20 0 GGADHM N#CCCCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000045993584 1404266058 /nfs/dbraw/zinc/26/60/58/1404266058.db2.gz QODHCVUJTBTKQB-UHFFFAOYSA-N -1 3 391.276 3.285 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nc4ccccc4[nH]3)c2)n1 ZINC000046067284 1404288890 /nfs/dbraw/zinc/28/88/90/1404288890.db2.gz WXRWSTONWNDWGC-UHFFFAOYSA-N -1 3 387.443 3.447 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC(c4ccccc4)=NO3)c2)n1 ZINC000046067405 1404288946 /nfs/dbraw/zinc/28/89/46/1404288946.db2.gz DLGGEAMYBYGNNO-LJQANCHMSA-N -1 3 388.427 3.131 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1F ZINC000046120202 1404304262 /nfs/dbraw/zinc/30/42/62/1404304262.db2.gz NDPGCDHYVNDYRI-OAHLLOKOSA-N -1 3 392.496 3.264 20 0 GGADHM CSc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046122072 1404305957 /nfs/dbraw/zinc/30/59/57/1404305957.db2.gz LFWRHRKKRMVJCV-UHFFFAOYSA-N -1 3 382.482 3.487 20 0 GGADHM O=C(NCc1cccc(COCc2ccco2)c1)N[N-]C(=O)c1ccccc1F ZINC000046153856 1404313190 /nfs/dbraw/zinc/31/31/90/1404313190.db2.gz OLSONEQEJXTNOE-UHFFFAOYSA-N -1 3 397.406 3.280 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2)ccc1F ZINC000046163049 1404316382 /nfs/dbraw/zinc/31/63/82/1404316382.db2.gz QZKDGJPCAJYYBY-AWEZNQCLSA-N -1 3 378.469 3.346 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046208607 1404331205 /nfs/dbraw/zinc/33/12/05/1404331205.db2.gz UXBGLLKGOWHLGT-CQSZACIVSA-N -1 3 378.469 3.312 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2F)ccc1F ZINC000046208760 1404331895 /nfs/dbraw/zinc/33/18/95/1404331895.db2.gz ULFNYNJFFPYMAG-CYBMUJFWSA-N -1 3 396.459 3.485 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046208609 1404331920 /nfs/dbraw/zinc/33/19/20/1404331920.db2.gz UXBGLLKGOWHLGT-AWEZNQCLSA-N -1 3 378.469 3.312 20 0 GGADHM CCN(CCc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046213709 1404332888 /nfs/dbraw/zinc/33/28/88/1404332888.db2.gz OMFVJLRLLULOQV-UHFFFAOYSA-N -1 3 392.496 3.217 20 0 GGADHM Cc1ccc(CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C2CC2)o1 ZINC000046284840 1404353501 /nfs/dbraw/zinc/35/35/01/1404353501.db2.gz VYDVREPLHBRJBO-UHFFFAOYSA-N -1 3 394.468 3.219 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)ccc1F ZINC000046318394 1404362924 /nfs/dbraw/zinc/36/29/24/1404362924.db2.gz KRMDAZUQTQIJNS-GOEBONIOSA-N -1 3 382.501 3.165 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000046364468 1404386006 /nfs/dbraw/zinc/38/60/06/1404386006.db2.gz ZSFDEAHQXCLUBA-UHFFFAOYSA-N -1 3 375.841 3.327 20 0 GGADHM Cc1nc(C)c(CC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c(=O)[n-]1 ZINC000046412567 1404406123 /nfs/dbraw/zinc/40/61/23/1404406123.db2.gz UTFRNAPTAVJEIW-UHFFFAOYSA-N -1 3 389.864 3.450 20 0 GGADHM CCc1ccc(-c2nc(COC(=O)Cc3c(C)nc(C)[n-]c3=O)cs2)cc1 ZINC000046413187 1404406954 /nfs/dbraw/zinc/40/69/54/1404406954.db2.gz JBJBCYWUEYUTPS-UHFFFAOYSA-N -1 3 383.473 3.359 20 0 GGADHM Cc1nc(C)c(CC(=O)OCCOC(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000046414262 1404407281 /nfs/dbraw/zinc/40/72/81/1404407281.db2.gz TVZDIZFNNXGWQZ-UHFFFAOYSA-N -1 3 392.455 3.279 20 0 GGADHM Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)[N-]C(=O)c3cccs3)s2)o1 ZINC000046420474 1404408953 /nfs/dbraw/zinc/40/89/53/1404408953.db2.gz XJTRUYCIKHIPOM-UHFFFAOYSA-N -1 3 390.442 3.195 20 0 GGADHM COCCOC(=O)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000046438696 1404415727 /nfs/dbraw/zinc/41/57/27/1404415727.db2.gz RBHRBMLCFIVWIS-UHFFFAOYSA-N -1 3 378.837 3.037 20 0 GGADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)N[N-]C(=O)c3ccccc3F)c21 ZINC000046566108 1404485877 /nfs/dbraw/zinc/48/58/77/1404485877.db2.gz LXCCNAARBHLDKA-UHFFFAOYSA-N -1 3 382.395 3.438 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)s1 ZINC000046598035 1404499529 /nfs/dbraw/zinc/49/95/29/1404499529.db2.gz PHOLGIGXHDRCNG-GFCCVEGCSA-N -1 3 393.896 3.336 20 0 GGADHM COc1cc(C)c([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2Cl)cc1OC ZINC000046618918 1404514031 /nfs/dbraw/zinc/51/40/31/1404514031.db2.gz KKFWIFWKQPEZKG-LBPRGKRZSA-N -1 3 391.855 3.371 20 0 GGADHM CCCOc1ccc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cc1OC ZINC000046674962 1404546257 /nfs/dbraw/zinc/54/62/57/1404546257.db2.gz BDWDKKUURWFEEI-ZDUSSCGKSA-N -1 3 389.427 3.328 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1ccccc1F ZINC000056748078 1407418011 /nfs/dbraw/zinc/41/80/11/1407418011.db2.gz ADHZABZUZKWSIF-CQSZACIVSA-N -1 3 380.423 3.042 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(OC2CCCC2)c1 ZINC000046851382 1404611294 /nfs/dbraw/zinc/61/12/94/1404611294.db2.gz ZPIPZVVPMYYIRZ-UHFFFAOYSA-N -1 3 383.448 3.265 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)no2)cc(C(=O)OC)c1 ZINC000046897347 1404626619 /nfs/dbraw/zinc/62/66/19/1404626619.db2.gz UCAGXJYBBUENJG-UHFFFAOYSA-N -1 3 380.356 3.167 20 0 GGADHM Cc1c([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cnn1-c1ccc(F)cc1 ZINC000046983552 1404659897 /nfs/dbraw/zinc/65/98/97/1404659897.db2.gz LIOHGPKYJFPGGS-GFCCVEGCSA-N -1 3 399.401 3.164 20 0 GGADHM Cn1ncc2c1CCC[C@H]2NC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000047003527 1404669731 /nfs/dbraw/zinc/66/97/31/1404669731.db2.gz GGNKGMRKLPLWIC-SNVBAGLBSA-N -1 3 389.674 3.479 20 0 GGADHM Cc1cc(C)n(-c2ccc(CC(=O)N[N-]C(=O)c3ccc4ccccc4n3)cc2)n1 ZINC000047063243 1404692834 /nfs/dbraw/zinc/69/28/34/1404692834.db2.gz HNARLFRRGLHFPN-UHFFFAOYSA-N -1 3 399.454 3.041 20 0 GGADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)sc1C1N=NC(=S)N1C ZINC000047076670 1404698412 /nfs/dbraw/zinc/69/84/12/1404698412.db2.gz VCVKSNDUFGLJFS-UHFFFAOYSA-N -1 3 398.473 3.443 20 0 GGADHM CCCOCc1ccccc1CNC(=O)N[N-]C(=O)c1ccccc1Cl ZINC000047100366 1404706286 /nfs/dbraw/zinc/70/62/86/1404706286.db2.gz CSLLABJHIVZVHK-UHFFFAOYSA-N -1 3 375.856 3.411 20 0 GGADHM O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268121 1404777755 /nfs/dbraw/zinc/77/77/55/1404777755.db2.gz YXDIXNDUIGJNCU-UHFFFAOYSA-N -1 3 377.372 3.346 20 0 GGADHM COc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268066 1404777948 /nfs/dbraw/zinc/77/79/48/1404777948.db2.gz OUUCVJBWCLXIRF-UHFFFAOYSA-N -1 3 389.408 3.216 20 0 GGADHM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047268062 1404778033 /nfs/dbraw/zinc/77/80/33/1404778033.db2.gz WNCLYAMQGSXDCI-UHFFFAOYSA-N -1 3 389.408 3.216 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000047327529 1404806926 /nfs/dbraw/zinc/80/69/26/1404806926.db2.gz NJRGWCXEIGHYEY-UHFFFAOYSA-N -1 3 388.349 3.340 20 0 GGADHM CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000047464528 1404845877 /nfs/dbraw/zinc/84/58/77/1404845877.db2.gz JTHDUGKLFXAZPM-UHFFFAOYSA-N -1 3 376.478 3.334 20 0 GGADHM O=C(Cc1coc2ccc3ccccc3c12)NCCNC(=O)c1ccc([O-])cc1 ZINC000047545289 1404864470 /nfs/dbraw/zinc/86/44/70/1404864470.db2.gz PWRYPIKHHPIHBS-UHFFFAOYSA-N -1 3 388.423 3.380 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000047545113 1404864481 /nfs/dbraw/zinc/86/44/81/1404864481.db2.gz PMXRDQTWRFSYNQ-UHFFFAOYSA-N -1 3 384.432 3.420 20 0 GGADHM O=C(NCCNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc([O-])cc1 ZINC000047552855 1404865916 /nfs/dbraw/zinc/86/59/16/1404865916.db2.gz PGYHJJVPZXIPEF-UHFFFAOYSA-N -1 3 390.439 3.131 20 0 GGADHM O=C(CC(c1ccccc1)c1ccccc1)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552773 1404866042 /nfs/dbraw/zinc/86/60/42/1404866042.db2.gz QPYVDFKMNFANNB-UHFFFAOYSA-N -1 3 388.467 3.460 20 0 GGADHM O=C(NCCNC(=O)c1ccccc1COc1ccccc1)c1ccc([O-])cc1 ZINC000047552579 1404866074 /nfs/dbraw/zinc/86/60/74/1404866074.db2.gz VPRVTDSTKDIKBG-UHFFFAOYSA-N -1 3 390.439 3.131 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1C ZINC000047585410 1404873031 /nfs/dbraw/zinc/87/30/31/1404873031.db2.gz QCHVMYHMRYEVGM-UHFFFAOYSA-N -1 3 387.461 3.211 20 0 GGADHM c1csc(CN(CCCOc2cccc(-c3nnn[n-]3)c2)C[C@H]2CCCO2)c1 ZINC000823762068 1426032044 /nfs/dbraw/zinc/03/20/44/1426032044.db2.gz HHCRZAVVTOMMJH-GOSISDBHSA-N -1 3 399.520 3.378 20 0 GGADHM Cc1cc(C)cc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822196785 1426153060 /nfs/dbraw/zinc/15/30/60/1426153060.db2.gz XBRGVRFKEHWJBD-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cc(C)cc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822196785 1426153063 /nfs/dbraw/zinc/15/30/63/1426153063.db2.gz XBRGVRFKEHWJBD-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3nc(C)cc(C)n3)c2)n1 ZINC000047903262 1404990545 /nfs/dbraw/zinc/99/05/45/1404990545.db2.gz IUOVMSUUWJKIBD-UHFFFAOYSA-N -1 3 395.488 3.137 20 0 GGADHM Cc1nnc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000047938949 1405005119 /nfs/dbraw/zinc/00/51/19/1405005119.db2.gz APUBLVSZLMXVTL-UHFFFAOYSA-N -1 3 395.872 3.088 20 0 GGADHM O=C(c1ccc2ccc(Cl)cc2n1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000176272824 1428213915 /nfs/dbraw/zinc/21/39/15/1428213915.db2.gz GWJJFDKTZCDYBS-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3CCC3)c2)cc1 ZINC000048181791 1405089451 /nfs/dbraw/zinc/08/94/51/1405089451.db2.gz BYBCXLJPKMEMKI-UHFFFAOYSA-N -1 3 388.489 3.334 20 0 GGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)n1 ZINC000048231399 1405109226 /nfs/dbraw/zinc/10/92/26/1405109226.db2.gz CQJXIXZXTDGQCH-UHFFFAOYSA-N -1 3 381.461 3.044 20 0 GGADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C ZINC000048244250 1405110752 /nfs/dbraw/zinc/11/07/52/1405110752.db2.gz YTMRGSGYSRXJTL-UHFFFAOYSA-N -1 3 376.478 3.471 20 0 GGADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1F ZINC000048244580 1405110998 /nfs/dbraw/zinc/11/09/98/1405110998.db2.gz ITSORAJWJLZUHK-UHFFFAOYSA-N -1 3 380.441 3.302 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc3ccccc3n2)cc1 ZINC000048314260 1405141157 /nfs/dbraw/zinc/14/11/57/1405141157.db2.gz GULVHGRMYDHTFJ-UHFFFAOYSA-N -1 3 399.472 3.402 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1 ZINC000048314215 1405141659 /nfs/dbraw/zinc/14/16/59/1405141659.db2.gz ZBOHZBDYJLYEAU-CYBMUJFWSA-N -1 3 381.457 3.185 20 0 GGADHM O=C(Cc1ccc(F)cc1)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000048315764 1405141802 /nfs/dbraw/zinc/14/18/02/1405141802.db2.gz MAMVPWCMFVMDQW-UHFFFAOYSA-N -1 3 385.620 3.245 20 0 GGADHM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(F)cc1Br ZINC000048670489 1405252817 /nfs/dbraw/zinc/25/28/17/1405252817.db2.gz VPCMOHUUHMCRJO-UHFFFAOYSA-N -1 3 382.198 3.120 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)n1 ZINC000049301740 1405361680 /nfs/dbraw/zinc/36/16/80/1405361680.db2.gz RZCOKPBEARMDIP-UHFFFAOYSA-N -1 3 379.416 3.269 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(OC)ccc3OC)c2)n1 ZINC000049301989 1405361839 /nfs/dbraw/zinc/36/18/39/1405361839.db2.gz HTJPNKZCWBXLMN-UHFFFAOYSA-N -1 3 379.416 3.269 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccco4)on3)c2)n1 ZINC000049302130 1405362191 /nfs/dbraw/zinc/36/21/91/1405362191.db2.gz JZPDQPWHJLOGFD-UHFFFAOYSA-N -1 3 376.372 3.500 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4cccn4)cc3)c2)n1 ZINC000049303593 1405362427 /nfs/dbraw/zinc/36/24/27/1405362427.db2.gz VHHADJWINIRIQC-UHFFFAOYSA-N -1 3 385.427 3.437 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)c2)n1 ZINC000049303124 1405362570 /nfs/dbraw/zinc/36/25/70/1405362570.db2.gz PDVCZMNOLSBRKJ-XCLFUZPHSA-N -1 3 391.427 3.166 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)c2)n1 ZINC000049303392 1405362743 /nfs/dbraw/zinc/36/27/43/1405362743.db2.gz XEUPNYHNIBUKSY-UHFFFAOYSA-N -1 3 386.411 3.093 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cc(C)ccc3OC)c2)n1 ZINC000049304002 1405362858 /nfs/dbraw/zinc/36/28/58/1405362858.db2.gz ZOEGYOJBHQCVHK-UHFFFAOYSA-N -1 3 377.444 3.498 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C[S@@](C)=O)c3)c2)n1 ZINC000049303688 1405363306 /nfs/dbraw/zinc/36/33/06/1405363306.db2.gz OCRYVESBTJGDDJ-NDEPHWFRSA-N -1 3 395.484 3.130 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)c2)n1 ZINC000049303734 1405363567 /nfs/dbraw/zinc/36/35/67/1405363567.db2.gz UZJWAZBKDGEBHF-SFHVURJKSA-N -1 3 389.411 3.240 20 0 GGADHM CC(C)c1ccc(CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000049789007 1405415525 /nfs/dbraw/zinc/41/55/25/1405415525.db2.gz RMFKILBQEHIANH-UHFFFAOYSA-N -1 3 395.503 3.226 20 0 GGADHM C[C@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000049795969 1405420931 /nfs/dbraw/zinc/42/09/31/1405420931.db2.gz KJPCRLALSRWQNP-JTQLQIEISA-N -1 3 396.325 3.319 20 0 GGADHM Cc1cc(/C=C(/C#N)C(=O)N[N-]C(=O)c2ccccc2F)c(C)n1CC(C)C ZINC000049949735 1405434551 /nfs/dbraw/zinc/43/45/51/1405434551.db2.gz LHCAROKMSUIDDX-YVLHZVERSA-N -1 3 382.439 3.268 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCC2=CCCCC2)cc1OC ZINC000050040346 1405460450 /nfs/dbraw/zinc/46/04/50/1405460450.db2.gz WZZHSWRYTAEVIX-UHFFFAOYSA-N -1 3 381.498 3.469 20 0 GGADHM Cc1cc(N2CCSCC2)ccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000050530216 1405595078 /nfs/dbraw/zinc/59/50/78/1405595078.db2.gz HIEQCNDDKPGYIW-AQTBWJFISA-N -1 3 379.485 3.271 20 0 GGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000050534207 1405596752 /nfs/dbraw/zinc/59/67/52/1405596752.db2.gz PBVMLNCJFKNDSY-UHFFFAOYSA-N -1 3 376.453 3.447 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc2cc(Cl)ccc2n1C ZINC000050821908 1405664299 /nfs/dbraw/zinc/66/42/99/1405664299.db2.gz BOYJRWVPVRFNFZ-UHFFFAOYSA-N -1 3 398.850 3.080 20 0 GGADHM CCCNC(=O)[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050899773 1405680650 /nfs/dbraw/zinc/68/06/50/1405680650.db2.gz ORVGFJQDGCHPJF-MRXNPFEDSA-N -1 3 379.574 3.259 20 0 GGADHM CCCNC(=O)[C@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050899774 1405680906 /nfs/dbraw/zinc/68/09/06/1405680906.db2.gz ORVGFJQDGCHPJF-INIZCTEOSA-N -1 3 379.574 3.259 20 0 GGADHM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000175362900 1427707478 /nfs/dbraw/zinc/70/74/78/1427707478.db2.gz HRESBFIFNDTEGG-INIZCTEOSA-N -1 3 384.451 3.085 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1C[C@@H](C)[C@H](C)C1 ZINC000820743780 1427726314 /nfs/dbraw/zinc/72/63/14/1427726314.db2.gz VREVEFGPWLGWQQ-JHJVBQTASA-N -1 3 388.541 3.112 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1C[C@@H](C)[C@H](C)C1 ZINC000820743780 1427726319 /nfs/dbraw/zinc/72/63/19/1427726319.db2.gz VREVEFGPWLGWQQ-JHJVBQTASA-N -1 3 388.541 3.112 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000051234224 1405750423 /nfs/dbraw/zinc/75/04/23/1405750423.db2.gz DNZAWGMYOFPKGH-INIZCTEOSA-N -1 3 377.444 3.365 20 0 GGADHM Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000051234226 1405750724 /nfs/dbraw/zinc/75/07/24/1405750724.db2.gz DNZAWGMYOFPKGH-MRXNPFEDSA-N -1 3 377.444 3.365 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000051266377 1405760363 /nfs/dbraw/zinc/76/03/63/1405760363.db2.gz LCMDBPPKMLGFGZ-UHFFFAOYSA-N -1 3 398.295 3.028 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000051266377 1405760370 /nfs/dbraw/zinc/76/03/70/1405760370.db2.gz LCMDBPPKMLGFGZ-UHFFFAOYSA-N -1 3 398.295 3.028 20 0 GGADHM Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c([O-])c1C ZINC000051284871 1405775267 /nfs/dbraw/zinc/77/52/67/1405775267.db2.gz JKIZXSOMFPNVRL-BETUJISGSA-N -1 3 375.494 3.327 20 0 GGADHM Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c([O-])c1C ZINC000051284874 1405776621 /nfs/dbraw/zinc/77/66/21/1405776621.db2.gz JKIZXSOMFPNVRL-CHWSQXEVSA-N -1 3 375.494 3.327 20 0 GGADHM O=C(COC(=O)[C@@H](Oc1ccccc1)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000051521362 1405825377 /nfs/dbraw/zinc/82/53/77/1405825377.db2.gz KMKITWGTIPOIHN-IBGZPJMESA-N -1 3 395.436 3.368 20 0 GGADHM O=C(COC(=O)c1ccc(Oc2ccccc2)nc1)[N-]C(=O)c1cccs1 ZINC000051729458 1405856329 /nfs/dbraw/zinc/85/63/29/1405856329.db2.gz DQEVBKWVTWXLRK-UHFFFAOYSA-N -1 3 382.397 3.049 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)COc3cccc(C#N)c3)nc(=O)c2c1C ZINC000051805665 1405868601 /nfs/dbraw/zinc/86/86/01/1405868601.db2.gz IMTJNOOBLVARNL-NSHDSACASA-N -1 3 383.429 3.156 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(OC(C)C)cc1F ZINC000052079911 1405927690 /nfs/dbraw/zinc/92/76/90/1405927690.db2.gz GQRJQWNXTNYRGF-UHFFFAOYSA-N -1 3 396.422 3.248 20 0 GGADHM C[C@H](N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000052448625 1406053625 /nfs/dbraw/zinc/05/36/25/1406053625.db2.gz LPPGMZNLZNWXAX-LBPRGKRZSA-N -1 3 381.473 3.461 20 0 GGADHM CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)nc1 ZINC000052454215 1406056282 /nfs/dbraw/zinc/05/62/82/1406056282.db2.gz WQJCUGAAXJSGKX-UHFFFAOYSA-N -1 3 397.475 3.050 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000052493379 1406065791 /nfs/dbraw/zinc/06/57/91/1406065791.db2.gz RRQVBMXKLXDPSZ-OLZOCXBDSA-N -1 3 379.457 3.263 20 0 GGADHM C[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000052493384 1406065839 /nfs/dbraw/zinc/06/58/39/1406065839.db2.gz RRQVBMXKLXDPSZ-QWHCGFSZSA-N -1 3 379.457 3.263 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000052530623 1406075636 /nfs/dbraw/zinc/07/56/36/1406075636.db2.gz BDKWKEUIGSJIFC-UHFFFAOYSA-N -1 3 388.414 3.392 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)c(C)o1 ZINC000176294059 1428225781 /nfs/dbraw/zinc/22/57/81/1428225781.db2.gz VPKIMPUANSTAGK-GOSISDBHSA-N -1 3 390.505 3.480 20 0 GGADHM Cc1ccoc1C(=O)N[N-]C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000052604894 1406092644 /nfs/dbraw/zinc/09/26/44/1406092644.db2.gz BAMIUILJYPWWBQ-UHFFFAOYSA-N -1 3 380.429 3.372 20 0 GGADHM CCc1cc2c(CN3CCN(c4nc(C)cs4)CC3)cc(=O)oc2cc1[O-] ZINC000052662331 1406112837 /nfs/dbraw/zinc/11/28/37/1406112837.db2.gz CNPNLQAYAYLLLO-UHFFFAOYSA-N -1 3 385.489 3.148 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)cc1 ZINC000052750727 1406152981 /nfs/dbraw/zinc/15/29/81/1406152981.db2.gz AUGUFTPZZXLUFQ-UHFFFAOYSA-N -1 3 392.455 3.073 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc(=O)oc12 ZINC000052844538 1406196774 /nfs/dbraw/zinc/19/67/74/1406196774.db2.gz SUTLGVKUAVSTPY-UHFFFAOYSA-N -1 3 395.415 3.037 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CCNCc1ccc(-c2nnn[n-]2)cc1F ZINC000822035291 1428236759 /nfs/dbraw/zinc/23/67/59/1428236759.db2.gz RVBPLYCSUYSDJW-UHFFFAOYSA-N -1 3 388.834 3.086 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CCNCc1ccc(-c2nn[n-]n2)cc1F ZINC000822035291 1428236763 /nfs/dbraw/zinc/23/67/63/1428236763.db2.gz RVBPLYCSUYSDJW-UHFFFAOYSA-N -1 3 388.834 3.086 20 0 GGADHM CC1CCC(CNC(=O)N[N-]C(=O)c2ccc(F)cc2Br)CC1 ZINC000056819194 1407442806 /nfs/dbraw/zinc/44/28/06/1407442806.db2.gz QJAJHROXURQDPT-UHFFFAOYSA-N -1 3 386.265 3.359 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000056902480 1407471383 /nfs/dbraw/zinc/47/13/83/1407471383.db2.gz XMTWMZWKSNMQTN-LJQANCHMSA-N -1 3 399.878 3.201 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000176322695 1428244516 /nfs/dbraw/zinc/24/45/16/1428244516.db2.gz ACXMANITOBDOEF-UHFFFAOYSA-N -1 3 387.490 3.188 20 0 GGADHM O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc([O-])c(Cl)c1 ZINC000057113486 1407521616 /nfs/dbraw/zinc/52/16/16/1407521616.db2.gz YSGJPIAZILMAKW-UHFFFAOYSA-N -1 3 387.911 3.378 20 0 GGADHM O=C1OCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000057122347 1407525781 /nfs/dbraw/zinc/52/57/81/1407525781.db2.gz GYZDIXXUKSBSSX-UHFFFAOYSA-N -1 3 390.436 3.462 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1C(N)=O ZINC000057126433 1407529384 /nfs/dbraw/zinc/52/93/84/1407529384.db2.gz SVUHVJWWELDNEK-UHFFFAOYSA-N -1 3 397.456 3.390 20 0 GGADHM O=C(NCCCCn1ccnc1)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000057379135 1407601155 /nfs/dbraw/zinc/60/11/55/1407601155.db2.gz FZCOUNMILHTUKJ-UHFFFAOYSA-N -1 3 377.663 3.345 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3cccs3)nc(=O)c2c1C ZINC000057457289 1407626014 /nfs/dbraw/zinc/62/60/14/1407626014.db2.gz UCACKSODMNYODA-NSHDSACASA-N -1 3 389.502 3.478 20 0 GGADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N1CCC(C)CC1 ZINC000057476369 1407631139 /nfs/dbraw/zinc/63/11/39/1407631139.db2.gz KJLDUXWKARORSX-CQSZACIVSA-N -1 3 397.504 3.260 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCCCC1 ZINC000057485826 1407635338 /nfs/dbraw/zinc/63/53/38/1407635338.db2.gz LRLORNMBMFEOOY-UHFFFAOYSA-N -1 3 377.293 3.060 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)cc1C ZINC000057498115 1407637304 /nfs/dbraw/zinc/63/73/04/1407637304.db2.gz HZGLWRICIURPEQ-UHFFFAOYSA-N -1 3 392.477 3.088 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncccc3O)c2)cc1 ZINC000057632431 1407672369 /nfs/dbraw/zinc/67/23/69/1407672369.db2.gz IXWZEKBTGSCVLG-UHFFFAOYSA-N -1 3 383.429 3.149 20 0 GGADHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000057784155 1407715825 /nfs/dbraw/zinc/71/58/25/1407715825.db2.gz NWLXRFVFZKXLNN-UHFFFAOYSA-N -1 3 389.456 3.208 20 0 GGADHM Cc1cc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c(C)c1C ZINC000057793891 1407719958 /nfs/dbraw/zinc/71/99/58/1407719958.db2.gz BHRQJOKFLBLCDE-UHFFFAOYSA-N -1 3 394.471 3.456 20 0 GGADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)CC1 ZINC000057806910 1407722751 /nfs/dbraw/zinc/72/27/51/1407722751.db2.gz BQSJVRKYOKGPKP-UHFFFAOYSA-N -1 3 385.489 3.218 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(OC)c(F)c3)[n-]c(=O)c21 ZINC000057812997 1407724644 /nfs/dbraw/zinc/72/46/44/1407724644.db2.gz IJBADVKYEFPHEU-UHFFFAOYSA-N -1 3 389.408 3.265 20 0 GGADHM COc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1N1CCCCC1=O ZINC000058148939 1407789769 /nfs/dbraw/zinc/78/97/69/1407789769.db2.gz PMXBFOKJVOHKMZ-UHFFFAOYSA-N -1 3 391.427 3.306 20 0 GGADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCN(Cc2ccccc2)CC1 ZINC000058204717 1407797005 /nfs/dbraw/zinc/79/70/05/1407797005.db2.gz SYVBEMCUBDWZDL-UHFFFAOYSA-N -1 3 385.562 3.368 20 0 GGADHM COc1cc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc(OC)c1OC ZINC000058289991 1407807973 /nfs/dbraw/zinc/80/79/73/1407807973.db2.gz MBZRDQXJGLNTOS-LBPRGKRZSA-N -1 3 382.416 3.045 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000058326542 1407812362 /nfs/dbraw/zinc/81/23/62/1407812362.db2.gz BKPRWJXJPDJGOQ-ZDUSSCGKSA-N -1 3 390.443 3.303 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc3ncccc3c2)cc1 ZINC000058329802 1407812613 /nfs/dbraw/zinc/81/26/13/1407812613.db2.gz OZQJDNWEOSRPFQ-UHFFFAOYSA-N -1 3 399.472 3.402 20 0 GGADHM CCCC[C@H](CCC)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000176357468 1428266649 /nfs/dbraw/zinc/26/66/49/1428266649.db2.gz KUACNNJKHVZBJK-KRWDZBQOSA-N -1 3 398.507 3.413 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C[C@H]3C(=O)Nc4ccccc43)nc(=O)c2c1C ZINC000058348780 1407815295 /nfs/dbraw/zinc/81/52/95/1407815295.db2.gz MLHAONMAAPXXTC-ZWNOBZJWSA-N -1 3 397.456 3.332 20 0 GGADHM O=C(NCCOc1cccc(C(F)(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000058445787 1407828919 /nfs/dbraw/zinc/82/89/19/1407828919.db2.gz REFMXAKZAAETQM-UHFFFAOYSA-N -1 3 376.334 3.356 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3ccc(F)cc32)ccc1F ZINC000058458374 1407831624 /nfs/dbraw/zinc/83/16/24/1407831624.db2.gz DHTDGQIYBQYLTK-UHFFFAOYSA-N -1 3 394.443 3.245 20 0 GGADHM CCOc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000058477473 1407834862 /nfs/dbraw/zinc/83/48/62/1407834862.db2.gz CHZKIYFNDQSFIE-UHFFFAOYSA-N -1 3 398.850 3.374 20 0 GGADHM CN1CCCc2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000058511229 1407838668 /nfs/dbraw/zinc/83/86/68/1407838668.db2.gz MKWKBZHVQWPYFA-UHFFFAOYSA-N -1 3 395.868 3.109 20 0 GGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC(C)=O)c(Cl)cc1Cl ZINC000058638583 1407856142 /nfs/dbraw/zinc/85/61/42/1407856142.db2.gz MAWNXHRTDHYFJB-SECBINFHSA-N -1 3 396.292 3.206 20 0 GGADHM CC(=O)c1cccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000058792034 1407881901 /nfs/dbraw/zinc/88/19/01/1407881901.db2.gz ZNHHQDMWXBZGDC-UHFFFAOYSA-N -1 3 390.461 3.058 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000059386883 1407921672 /nfs/dbraw/zinc/92/16/72/1407921672.db2.gz OJBULIBTKICPGW-UHFFFAOYSA-N -1 3 394.500 3.238 20 0 GGADHM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n(C)n1 ZINC000059733609 1407924139 /nfs/dbraw/zinc/92/41/39/1407924139.db2.gz OHJNICFARXHAPM-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000176368215 1428275555 /nfs/dbraw/zinc/27/55/55/1428275555.db2.gz UEXFKLCUODRZKQ-UHFFFAOYSA-N -1 3 387.383 3.302 20 0 GGADHM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000059951272 1407931724 /nfs/dbraw/zinc/93/17/24/1407931724.db2.gz LMVFDUKFVUGRHA-UHFFFAOYSA-N -1 3 388.489 3.034 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H](C)Oc2cccc(Cl)c2)o1 ZINC000060060984 1407935262 /nfs/dbraw/zinc/93/52/62/1407935262.db2.gz IVXDSYZCTGWBIH-CYBMUJFWSA-N -1 3 393.871 3.003 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000060063487 1407935996 /nfs/dbraw/zinc/93/59/96/1407935996.db2.gz NTXGULXNPBCIEC-UHFFFAOYSA-N -1 3 398.290 3.432 20 0 GGADHM O=C(NCCNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000060433181 1407976051 /nfs/dbraw/zinc/97/60/51/1407976051.db2.gz WMYSZAQDFTYIRU-UHFFFAOYSA-N -1 3 399.394 3.007 20 0 GGADHM C[C@H](COc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000060509526 1407993828 /nfs/dbraw/zinc/99/38/28/1407993828.db2.gz YFVXXEDURHWKDD-SECBINFHSA-N -1 3 394.287 3.396 20 0 GGADHM O=C([N-]c1ncc(Cc2ccc(Br)cc2)s1)c1cccc[n+]1[O-] ZINC000060760273 1408029879 /nfs/dbraw/zinc/02/98/79/1408029879.db2.gz HWSHYVCMHWTCEB-UHFFFAOYSA-N -1 3 390.262 3.382 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc32)c([O-])c1 ZINC000060783358 1408033211 /nfs/dbraw/zinc/03/32/11/1408033211.db2.gz FSHYANJYAGDUSO-UHFFFAOYSA-N -1 3 398.422 3.386 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000060869375 1408044773 /nfs/dbraw/zinc/04/47/73/1408044773.db2.gz GJEGDQYZKWPIDU-UHFFFAOYSA-N -1 3 388.424 3.219 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)N2CCCC2)cc1 ZINC000060920435 1408051703 /nfs/dbraw/zinc/05/17/03/1408051703.db2.gz AVEZOIIYKZZGPK-GOSISDBHSA-N -1 3 380.460 3.389 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000061142818 1408082252 /nfs/dbraw/zinc/08/22/52/1408082252.db2.gz KYCRVGKBZBSZPR-HNNXBMFYSA-N -1 3 397.431 3.493 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000061142818 1408082262 /nfs/dbraw/zinc/08/22/62/1408082262.db2.gz KYCRVGKBZBSZPR-HNNXBMFYSA-N -1 3 397.431 3.493 20 0 GGADHM Cc1ccc(CN(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)C2CC2)cc1 ZINC000061142401 1408082830 /nfs/dbraw/zinc/08/28/30/1408082830.db2.gz BTPWKFKEFQBMRD-UHFFFAOYSA-N -1 3 379.416 3.326 20 0 GGADHM Cc1ccc(CN(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)C2CC2)cc1 ZINC000061142401 1408082844 /nfs/dbraw/zinc/08/28/44/1408082844.db2.gz BTPWKFKEFQBMRD-UHFFFAOYSA-N -1 3 379.416 3.326 20 0 GGADHM Cc1ccc(Sc2ncccc2C(=O)[N-]NC(=O)c2cccn2C)cc1C ZINC000061225119 1408093165 /nfs/dbraw/zinc/09/31/65/1408093165.db2.gz YMDLRHBPIFYYBD-UHFFFAOYSA-N -1 3 380.473 3.263 20 0 GGADHM Cc1ccc(CNC(=O)C2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000176389423 1428293841 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377.393 3.398 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2OCC(C)C)c1 ZINC000063185942 1408314093 /nfs/dbraw/zinc/31/40/93/1408314093.db2.gz TVHWGAZJXXVHIB-UHFFFAOYSA-N -1 3 395.452 3.126 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccnc(C)n2)cc1 ZINC000063305132 1408332971 /nfs/dbraw/zinc/33/29/71/1408332971.db2.gz RGMHZCBRYBEFQE-UHFFFAOYSA-N -1 3 396.472 3.455 20 0 GGADHM CC(C)c1ccc(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c([O-])c1 ZINC000063318350 1408335463 /nfs/dbraw/zinc/33/54/63/1408335463.db2.gz GTFHWNANSMFEMI-IBGZPJMESA-N -1 3 396.487 3.354 20 0 GGADHM O=C(NCCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1[O-] ZINC000063407117 1408349659 /nfs/dbraw/zinc/34/96/59/1408349659.db2.gz DCVMENBVDQUXDM-UHFFFAOYSA-N -1 3 398.246 3.112 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000063442989 1408354773 /nfs/dbraw/zinc/35/47/73/1408354773.db2.gz ZMXVDDXMEBOUKK-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CN(C)C(C)C)ccc2C)c1 ZINC000063500553 1408364467 /nfs/dbraw/zinc/36/44/67/1408364467.db2.gz RNSYEFIGRXTMEX-UHFFFAOYSA-N -1 3 389.521 3.383 20 0 GGADHM COC(=O)c1sc2[n-]c(CC(=O)c3c[nH]c4cc(C)ccc43)nc(=O)c2c1C ZINC000063579860 1408373908 /nfs/dbraw/zinc/37/39/08/1408373908.db2.gz JACFBBROSJOOKH-UHFFFAOYSA-N -1 3 395.440 3.295 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2csc(CC(C)C)n2)cc1OC ZINC000063648704 1408387347 /nfs/dbraw/zinc/38/73/47/1408387347.db2.gz ZDAFEUAKRZSIPB-UHFFFAOYSA-N -1 3 397.522 3.364 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1 ZINC000176421806 1428314530 /nfs/dbraw/zinc/31/45/30/1428314530.db2.gz GGXIHELFOKIBSF-UHFFFAOYSA-N -1 3 377.510 3.369 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4nc(C(C)(C)C)[nH]c4c3)cc12 ZINC000176422900 1428315256 /nfs/dbraw/zinc/31/52/56/1428315256.db2.gz PVCZJZUWQJIYCN-UHFFFAOYSA-N -1 3 398.492 3.251 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000063764288 1408404903 /nfs/dbraw/zinc/40/49/03/1408404903.db2.gz TXOVTGZHDMCKSY-UHFFFAOYSA-N -1 3 396.472 3.168 20 0 GGADHM O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000063803264 1408416129 /nfs/dbraw/zinc/41/61/29/1408416129.db2.gz XPIWMBDERPLLKG-UHFFFAOYSA-N -1 3 394.880 3.058 20 0 GGADHM Cc1ccc(CCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000063810043 1408418416 /nfs/dbraw/zinc/41/84/16/1408418416.db2.gz LSXZQFOVPQRAGY-UHFFFAOYSA-N -1 3 380.488 3.398 20 0 GGADHM COc1cc(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000063845798 1408427930 /nfs/dbraw/zinc/42/79/30/1408427930.db2.gz IASAFDNTYDDSDX-BQYQJAHWSA-N -1 3 389.835 3.417 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccc(F)cc2F)o1 ZINC000063875350 1408435213 /nfs/dbraw/zinc/43/52/13/1408435213.db2.gz MYKYAXVWAITMIQ-UHFFFAOYSA-N -1 3 382.436 3.031 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)cc1 ZINC000063878020 1408436258 /nfs/dbraw/zinc/43/62/58/1408436258.db2.gz ZAPXTJRQLNGTLW-UHFFFAOYSA-N -1 3 376.478 3.464 20 0 GGADHM Cc1ccc(-c2nc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cs2)c(C)c1 ZINC000064034949 1408471560 /nfs/dbraw/zinc/47/15/60/1408471560.db2.gz VQZHPIOPNNAYBO-UHFFFAOYSA-N -1 3 395.484 3.292 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccc(Cl)cc2)o1 ZINC000064047652 1408474820 /nfs/dbraw/zinc/47/48/20/1408474820.db2.gz RRPBUUTUHIZRID-ZDUSSCGKSA-N -1 3 393.871 3.003 20 0 GGADHM COc1cc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000064307869 1408531887 /nfs/dbraw/zinc/53/18/87/1408531887.db2.gz YOEAQEAFGPNPSV-FPYGCLRLSA-N -1 3 381.837 3.322 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(C)Cc3ccccc3)c2)n1 ZINC000064371022 1408541483 /nfs/dbraw/zinc/54/14/83/1408541483.db2.gz OKZZFPXGFIOQGE-UHFFFAOYSA-N -1 3 376.460 3.070 20 0 GGADHM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)CCOC(C)C ZINC000176463382 1428328057 /nfs/dbraw/zinc/32/80/57/1428328057.db2.gz SNDBRMNZKIRFQS-UHFFFAOYSA-N -1 3 376.478 3.414 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000176466650 1428328881 /nfs/dbraw/zinc/32/88/81/1428328881.db2.gz AQMIWBYFWSIXQW-HNNXBMFYSA-N -1 3 382.526 3.034 20 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/nfs/dbraw/zinc/61/82/88/1408618288.db2.gz WJBIQVKETNXDPW-UHFFFAOYSA-N -1 3 398.843 3.181 20 0 GGADHM O=C([N-]NC(=O)C1C2CC3CC(C2)CC1C3)c1ccc(F)cc1Br ZINC000064835626 1408618861 /nfs/dbraw/zinc/61/88/61/1408618861.db2.gz JDZHQTCIRIHFMZ-UHFFFAOYSA-N -1 3 395.272 3.422 20 0 GGADHM Cc1ccccc1OCCC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000064835157 1408618892 /nfs/dbraw/zinc/61/88/92/1408618892.db2.gz GEUGPJVDRQGTJJ-UHFFFAOYSA-N -1 3 395.228 3.127 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)cc1C ZINC000064938100 1408629948 /nfs/dbraw/zinc/62/99/48/1408629948.db2.gz WVJZMKQWNCUFMR-CQSZACIVSA-N -1 3 392.477 3.086 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(COCC2CC2)c1 ZINC000065122370 1408647674 /nfs/dbraw/zinc/64/76/74/1408647674.db2.gz AZZXDSIDVKXVSH-UHFFFAOYSA-N -1 3 392.459 3.318 20 0 GGADHM CC(C)c1c(C(=O)[N-]NC(=O)NCC2CC2)cnn1-c1cccc(Cl)c1 ZINC000065192285 1408651696 /nfs/dbraw/zinc/65/16/96/1408651696.db2.gz FLAMWUMNZVKBDX-UHFFFAOYSA-N -1 3 375.860 3.003 20 0 GGADHM CCOC(=O)N(C)c1ccc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)cc1 ZINC000065427204 1408668363 /nfs/dbraw/zinc/66/83/63/1408668363.db2.gz WKOBJWDFZWRKCQ-UHFFFAOYSA-N -1 3 395.415 3.382 20 0 GGADHM COC(=O)c1sc(NC(=O)c2c[n-]c3ccccc3c2=O)nc1C(C)(C)C ZINC000176493515 1428338766 /nfs/dbraw/zinc/33/87/66/1428338766.db2.gz BOEFDPDDDPKHOE-UHFFFAOYSA-N -1 3 385.445 3.321 20 0 GGADHM COC(=O)c1oc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1C ZINC000176493825 1428339455 /nfs/dbraw/zinc/33/94/55/1428339455.db2.gz DXPMIGHDRAPONT-UHFFFAOYSA-N -1 3 396.428 3.089 20 0 GGADHM COCc1nc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000065646545 1408704378 /nfs/dbraw/zinc/70/43/78/1408704378.db2.gz AYBCXCUBPQFFIM-MRVPVSSYSA-N -1 3 379.463 3.122 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCNc2ccccc2C)cc1OC ZINC000065658796 1408707000 /nfs/dbraw/zinc/70/70/00/1408707000.db2.gz FYTYIUJNVKXZOQ-UHFFFAOYSA-N -1 3 391.493 3.206 20 0 GGADHM CCOc1ccccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000065736741 1408721367 /nfs/dbraw/zinc/72/13/67/1408721367.db2.gz WGAQNNPCFFXWIH-UHFFFAOYSA-N -1 3 378.432 3.110 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCc2ccccc2)cc1OC ZINC000065752621 1408724473 /nfs/dbraw/zinc/72/44/73/1408724473.db2.gz KTAAYLFTSVGGOK-UHFFFAOYSA-N -1 3 391.493 3.211 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000065776866 1408727983 /nfs/dbraw/zinc/72/79/83/1408727983.db2.gz MKTNOOOVXLPITN-UHFFFAOYSA-N -1 3 393.443 3.153 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCc3sccc3C2)cc1OC ZINC000065786102 1408729785 /nfs/dbraw/zinc/72/97/85/1408729785.db2.gz ATZRIPCCPHOGHM-UHFFFAOYSA-N -1 3 395.506 3.109 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)o1 ZINC000065789986 1408730353 /nfs/dbraw/zinc/73/03/53/1408730353.db2.gz ZVCNSJKLUKVNCY-MEDUHNTESA-N -1 3 379.416 3.483 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000065789774 1408730391 /nfs/dbraw/zinc/73/03/91/1408730391.db2.gz GDGJIPOJFGLXSO-UHFFFAOYSA-N -1 3 379.294 3.155 20 0 GGADHM Cc1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1C ZINC000065802076 1408732424 /nfs/dbraw/zinc/73/24/24/1408732424.db2.gz XKTNAUCXGHGVHG-UHFFFAOYSA-N -1 3 393.443 3.262 20 0 GGADHM O=C(NCCOc1cccc(Cl)c1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065821347 1408735359 /nfs/dbraw/zinc/73/53/59/1408735359.db2.gz BONREOIKDNROGQ-UHFFFAOYSA-N -1 3 394.214 3.078 20 0 GGADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000065833365 1408737976 /nfs/dbraw/zinc/73/79/76/1408737976.db2.gz JRTDOYLHJMZUMR-UHFFFAOYSA-N -1 3 388.367 3.369 20 0 GGADHM CC[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000065834441 1408737991 /nfs/dbraw/zinc/73/79/91/1408737991.db2.gz RVROGYMYHINJAD-QGZVFWFLSA-N -1 3 392.477 3.168 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1F ZINC000065922904 1408754383 /nfs/dbraw/zinc/75/43/83/1408754383.db2.gz ZUEOHLIMACKYIV-UHFFFAOYSA-N -1 3 396.488 3.106 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1OC ZINC000065985878 1408767522 /nfs/dbraw/zinc/76/75/22/1408767522.db2.gz RZZZMNABEKOEHJ-UHFFFAOYSA-N -1 3 395.485 3.052 20 0 GGADHM CNS(=O)(=O)c1cccc([C@H](C)/N=C/c2cc(Br)ccc2[O-])c1 ZINC000066255576 1408798008 /nfs/dbraw/zinc/79/80/08/1408798008.db2.gz SRUQJHJUJGXEBL-VSMYLPJWSA-N -1 3 397.294 3.243 20 0 GGADHM Cc1cccc(OCCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000066317695 1408810882 /nfs/dbraw/zinc/81/08/82/1408810882.db2.gz QNKQBWAUJPEGRQ-UHFFFAOYSA-N -1 3 396.487 3.234 20 0 GGADHM COc1ccc([C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccc(C)cc2)cc1 ZINC000066326639 1408811789 /nfs/dbraw/zinc/81/17/89/1408811789.db2.gz SWRWXPIJCKUPFN-QFIPXVFZSA-N -1 3 391.471 3.152 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cc1C ZINC000176527713 1428351384 /nfs/dbraw/zinc/35/13/84/1428351384.db2.gz WGGFIJHYRLXJJC-UHFFFAOYSA-N -1 3 376.478 3.123 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cc1C ZINC000176527967 1428351956 /nfs/dbraw/zinc/35/19/56/1428351956.db2.gz QRDMEQXEBGLTCG-UHFFFAOYSA-N -1 3 376.478 3.123 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc2ccccc2c1 ZINC000736133836 1428352452 /nfs/dbraw/zinc/35/24/52/1428352452.db2.gz TYAZEDXXARWXJS-QVKFZJNVSA-N -1 3 398.470 3.476 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc2ccccc2c1 ZINC000736133836 1428352457 /nfs/dbraw/zinc/35/24/57/1428352457.db2.gz TYAZEDXXARWXJS-QVKFZJNVSA-N -1 3 398.470 3.476 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)c2ccccc2)ccc1F ZINC000066458943 1408841732 /nfs/dbraw/zinc/84/17/32/1408841732.db2.gz PDEZUQSWLFRRBQ-HNNXBMFYSA-N -1 3 390.480 3.166 20 0 GGADHM C[C@H](CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000066459019 1408842168 /nfs/dbraw/zinc/84/21/68/1408842168.db2.gz ZKFMWRGVWQSJKG-CQSZACIVSA-N -1 3 390.480 3.142 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cn1 ZINC000066574769 1408859700 /nfs/dbraw/zinc/85/97/00/1408859700.db2.gz VCGZFEGZWKXIMT-RVDMUPIBSA-N -1 3 380.404 3.152 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1C(N)=O ZINC000066587160 1408861342 /nfs/dbraw/zinc/86/13/42/1408861342.db2.gz QHEPBSHFCAITJN-UHFFFAOYSA-N -1 3 376.478 3.320 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000066585699 1408861363 /nfs/dbraw/zinc/86/13/63/1408861363.db2.gz RNLGFCLISSZIRF-UHFFFAOYSA-N -1 3 390.852 3.285 20 0 GGADHM O=C(c1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000066621328 1408870543 /nfs/dbraw/zinc/87/05/43/1408870543.db2.gz UPIUFUHVOAOKDR-UHFFFAOYSA-N -1 3 394.471 3.312 20 0 GGADHM CNC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000066746705 1408898823 /nfs/dbraw/zinc/89/88/23/1408898823.db2.gz FNAKYKBKTMQUCC-UHFFFAOYSA-N -1 3 391.456 3.173 20 0 GGADHM CCCc1nnc([N-]C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)s1 ZINC000066756022 1408902315 /nfs/dbraw/zinc/90/23/15/1408902315.db2.gz FDOVQAMERPGWOK-UHFFFAOYSA-N -1 3 379.449 3.180 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1cccc2ncccc21 ZINC000066757114 1408902747 /nfs/dbraw/zinc/90/27/47/1408902747.db2.gz WSOVGDXXACJFTA-UHFFFAOYSA-N -1 3 379.449 3.351 20 0 GGADHM O=C(OCc1ccccn1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000066778309 1408912081 /nfs/dbraw/zinc/91/20/81/1408912081.db2.gz PXOJSMTZSKCQSD-UHFFFAOYSA-N -1 3 386.404 3.379 20 0 GGADHM O=C(OC[C@H]1CCCCO1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000066780850 1408913231 /nfs/dbraw/zinc/91/32/31/1408913231.db2.gz TZLWWISKGPIELN-OAHLLOKOSA-N -1 3 393.436 3.352 20 0 GGADHM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1c[n-]c2ccccc2c1=O ZINC000066857837 1408934166 /nfs/dbraw/zinc/93/41/66/1408934166.db2.gz BOOGWWPIZVQWGM-UHFFFAOYSA-N -1 3 385.427 3.375 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4c3OCCO4)c2)n1 ZINC000067054402 1408993977 /nfs/dbraw/zinc/99/39/77/1408993977.db2.gz LCFHLOMVVHVLHJ-UHFFFAOYSA-N -1 3 377.400 3.023 20 0 GGADHM Cc1cc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)o1 ZINC000067083748 1409005594 /nfs/dbraw/zinc/00/55/94/1409005594.db2.gz RDJBSUTWNXBZRO-LBPRGKRZSA-N -1 3 382.457 3.213 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)cc1 ZINC000067124090 1409013943 /nfs/dbraw/zinc/01/39/43/1409013943.db2.gz JJQKGCKOYWYJMY-UHFFFAOYSA-N -1 3 391.493 3.225 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000067124330 1409014626 /nfs/dbraw/zinc/01/46/26/1409014626.db2.gz GBICJMCDERTTBY-UHFFFAOYSA-N -1 3 377.466 3.254 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000067124317 1409014813 /nfs/dbraw/zinc/01/48/13/1409014813.db2.gz LJJBTXCMLKIXDK-UHFFFAOYSA-N -1 3 377.466 3.254 20 0 GGADHM COc1ccc(C(=O)[N-]NC(=S)Nc2ccc(OC(C)C)cc2)c(F)c1 ZINC000067194284 1409038345 /nfs/dbraw/zinc/03/83/45/1409038345.db2.gz SOFUJDVDVPFMSA-UHFFFAOYSA-N -1 3 377.441 3.253 20 0 GGADHM Cc1ccc(NC(=O)CN(C)C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000067292033 1409065870 /nfs/dbraw/zinc/06/58/70/1409065870.db2.gz MTWBGHSXBOPBDT-UHFFFAOYSA-N -1 3 375.494 3.075 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(SC(F)F)c1 ZINC000067355625 1409082733 /nfs/dbraw/zinc/08/27/33/1409082733.db2.gz FEPVPHWABRNJAK-UHFFFAOYSA-N -1 3 381.404 3.258 20 0 GGADHM O=C(Nc1cccc(-n2cccc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000067575001 1409172639 /nfs/dbraw/zinc/17/26/39/1409172639.db2.gz SFGDDMQCZKCWNJ-UHFFFAOYSA-N -1 3 390.443 3.173 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)N(C)C)cc1 ZINC000067593446 1409179512 /nfs/dbraw/zinc/17/95/12/1409179512.db2.gz IUMGHZIYTRQKAV-KRWDZBQOSA-N -1 3 382.489 3.339 20 0 GGADHM C[C@@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000067774568 1409227414 /nfs/dbraw/zinc/22/74/14/1409227414.db2.gz LNTVAMCWMGDHFN-LLVKDONJSA-N -1 3 397.353 3.039 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c(=O)[n-]1 ZINC000067777403 1409228737 /nfs/dbraw/zinc/22/87/37/1409228737.db2.gz VZUBDHZLJHQCPU-LLVKDONJSA-N -1 3 397.397 3.138 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n1 ZINC000067792918 1409232263 /nfs/dbraw/zinc/23/22/63/1409232263.db2.gz ZSWWWLKCCWKEPN-UHFFFAOYSA-N -1 3 386.415 3.095 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000067874760 1409247542 /nfs/dbraw/zinc/24/75/42/1409247542.db2.gz NSHDFYKVYZBHPL-UHFFFAOYSA-N -1 3 398.488 3.155 20 0 GGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000067899581 1409252376 /nfs/dbraw/zinc/25/23/76/1409252376.db2.gz NZCIVWXHVTYDNR-UHFFFAOYSA-N -1 3 390.530 3.302 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)c(C)c2)CC1 ZINC000068037173 1409283636 /nfs/dbraw/zinc/28/36/36/1409283636.db2.gz FFNHGYGDAMKXHG-UHFFFAOYSA-N -1 3 395.475 3.216 20 0 GGADHM O=C(CCCc1ccccc1)N[N-]C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000068052195 1409287404 /nfs/dbraw/zinc/28/74/04/1409287404.db2.gz LHRVKPOJEBYRRQ-UHFFFAOYSA-N -1 3 382.851 3.310 20 0 GGADHM CC(C)c1c(C(=O)[N-]NC(=O)CCCc2ccccc2)cnn1-c1ccccn1 ZINC000068052761 1409287637 /nfs/dbraw/zinc/28/76/37/1409287637.db2.gz IALRITFZTWGTFK-UHFFFAOYSA-N -1 3 391.475 3.175 20 0 GGADHM Clc1cc(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc2c1OCCO2 ZINC000826350632 1428392268 /nfs/dbraw/zinc/39/22/68/1428392268.db2.gz FJPXWXPQEKNTDH-QGZVFWFLSA-N -1 3 397.866 3.459 20 0 GGADHM Clc1cc(CN[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc2c1OCCO2 ZINC000826350632 1428392275 /nfs/dbraw/zinc/39/22/75/1428392275.db2.gz FJPXWXPQEKNTDH-QGZVFWFLSA-N -1 3 397.866 3.459 20 0 GGADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc2c(c1)COC2 ZINC000068075907 1409292388 /nfs/dbraw/zinc/29/23/88/1409292388.db2.gz ZJQFFUINKKAEFB-GOSISDBHSA-N -1 3 375.446 3.075 20 0 GGADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc2c(c1)COC2 ZINC000068076309 1409292685 /nfs/dbraw/zinc/29/26/85/1409292685.db2.gz LALNNQVTWOJMPQ-GOSISDBHSA-N -1 3 385.445 3.245 20 0 GGADHM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000068173540 1409323156 /nfs/dbraw/zinc/32/31/56/1409323156.db2.gz FWFDNOWCXDOGOL-ZDUSSCGKSA-N -1 3 393.484 3.131 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCN4C)cc2C[C@@H]1C ZINC000068239391 1409338343 /nfs/dbraw/zinc/33/83/43/1409338343.db2.gz IEOXTLNDVOAWAW-AWEZNQCLSA-N -1 3 399.516 3.167 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3cccc(C=O)c3)c2)n1 ZINC000068284443 1409352626 /nfs/dbraw/zinc/35/26/26/1409352626.db2.gz XLHMBWWSCZOHKF-UHFFFAOYSA-N -1 3 391.427 3.219 20 0 GGADHM CCCN(CCC)C(=O)CCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000068284429 1409352721 /nfs/dbraw/zinc/35/27/21/1409352721.db2.gz YFGVGHHQZGXZMB-UHFFFAOYSA-N -1 3 398.507 3.367 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000068300440 1409356911 /nfs/dbraw/zinc/35/69/11/1409356911.db2.gz KHJJBXPVJAMOJI-UHFFFAOYSA-N -1 3 391.449 3.395 20 0 GGADHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000068351393 1409375676 /nfs/dbraw/zinc/37/56/76/1409375676.db2.gz OHGYERRWZJGTIF-YFKPBYRVSA-N -1 3 379.682 3.441 20 0 GGADHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000068351393 1409375684 /nfs/dbraw/zinc/37/56/84/1409375684.db2.gz OHGYERRWZJGTIF-YFKPBYRVSA-N -1 3 379.682 3.441 20 0 GGADHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000068351397 1409375837 /nfs/dbraw/zinc/37/58/37/1409375837.db2.gz OHGYERRWZJGTIF-RXMQYKEDSA-N -1 3 379.682 3.441 20 0 GGADHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000068351397 1409375841 /nfs/dbraw/zinc/37/58/41/1409375841.db2.gz OHGYERRWZJGTIF-RXMQYKEDSA-N -1 3 379.682 3.441 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc(COCCc3ccccc3)c2)c(=O)[n-]1 ZINC000068438570 1409403365 /nfs/dbraw/zinc/40/33/65/1409403365.db2.gz OECFQLYQKNJQAI-UHFFFAOYSA-N -1 3 391.471 3.327 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(OC(F)(F)F)cc1 ZINC000068604500 1409448970 /nfs/dbraw/zinc/44/89/70/1409448970.db2.gz OMZWXRJTDFIAKD-VIFPVBQESA-N -1 3 393.321 3.352 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)o1 ZINC000068606977 1409449620 /nfs/dbraw/zinc/44/96/20/1409449620.db2.gz ZVCNSJKLUKVNCY-ZBEGNZNMSA-N -1 3 379.416 3.483 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)o1 ZINC000068606980 1409449638 /nfs/dbraw/zinc/44/96/38/1409449638.db2.gz ZVCNSJKLUKVNCY-BDJLRTHQSA-N -1 3 379.416 3.483 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000068606680 1409449856 /nfs/dbraw/zinc/44/98/56/1409449856.db2.gz PXTJKKMTEMMCKG-LBPRGKRZSA-N -1 3 390.399 3.123 20 0 GGADHM O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000068609342 1409450236 /nfs/dbraw/zinc/45/02/36/1409450236.db2.gz CJAYZQXGUGHDJK-UHFFFAOYSA-N -1 3 381.285 3.050 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(OC(F)F)c1 ZINC000068609652 1409450527 /nfs/dbraw/zinc/45/05/27/1409450527.db2.gz LJQDYXDNWPFCJB-SECBINFHSA-N -1 3 375.331 3.054 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000068650165 1409455379 /nfs/dbraw/zinc/45/53/79/1409455379.db2.gz UVGVTGUROZTMQQ-AWEZNQCLSA-N -1 3 395.415 3.162 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(OC)cc3OC)nc2)n1 ZINC000068658193 1409458989 /nfs/dbraw/zinc/45/89/89/1409458989.db2.gz IKKMKJCUKZSIGA-UHFFFAOYSA-N -1 3 380.448 3.048 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C(=O)c4ccccc4)CC3)nc2)n1 ZINC000068661891 1409461429 /nfs/dbraw/zinc/46/14/29/1409461429.db2.gz ONCUHWQISULGOZ-UHFFFAOYSA-N -1 3 388.471 3.494 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(Cl)c4c(c3)OCCO4)nc2)n1 ZINC000068664452 1409462592 /nfs/dbraw/zinc/46/25/92/1409462592.db2.gz ZLRCHMZEGCKLRF-UHFFFAOYSA-N -1 3 398.850 3.431 20 0 GGADHM CCOc1ccc2c(c1)CN(c1ccc(-c3nc(CC)cc(=O)[n-]3)cn1)CC2 ZINC000068694283 1409470567 /nfs/dbraw/zinc/47/05/67/1409470567.db2.gz BBOFLUJOBMAWFA-UHFFFAOYSA-N -1 3 376.460 3.356 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCN3c4ccccc4C[C@@H]3C)nc2)n1 ZINC000068693855 1409470656 /nfs/dbraw/zinc/47/06/56/1409470656.db2.gz YMNWHQRGNQDMTQ-HNNXBMFYSA-N -1 3 375.476 3.257 20 0 GGADHM Fc1ccc(CN2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737646999 1428408567 /nfs/dbraw/zinc/40/85/67/1428408567.db2.gz BYWJYGZRDHQHTN-UHFFFAOYSA-N -1 3 386.862 3.372 20 0 GGADHM Fc1ccc(CN2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737646999 1428408571 /nfs/dbraw/zinc/40/85/71/1428408571.db2.gz BYWJYGZRDHQHTN-UHFFFAOYSA-N -1 3 386.862 3.372 20 0 GGADHM CC(C)c1noc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000068922946 1409525290 /nfs/dbraw/zinc/52/52/90/1409525290.db2.gz UVDNEDNOCGLYIF-UHFFFAOYSA-N -1 3 397.806 3.386 20 0 GGADHM CCCNC(=O)N[N-]C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000068932560 1409528169 /nfs/dbraw/zinc/52/81/69/1409528169.db2.gz VMSWOWURZXNMAL-UHFFFAOYSA-N -1 3 388.449 3.408 20 0 GGADHM CCCNC(=O)N[N-]C(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 ZINC000068931068 1409528204 /nfs/dbraw/zinc/52/82/04/1409528204.db2.gz CQJFQBLYRPAIHS-UHFFFAOYSA-N -1 3 375.860 3.066 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c(C)c1 ZINC000176691531 1428411078 /nfs/dbraw/zinc/41/10/78/1428411078.db2.gz NKVAGTUJPNRUIA-UHFFFAOYSA-N -1 3 380.441 3.035 20 0 GGADHM O=C(NCCOc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1[O-] ZINC000069206367 1409587136 /nfs/dbraw/zinc/58/71/36/1409587136.db2.gz OGOXUDXFUCOWJO-UHFFFAOYSA-N -1 3 391.427 3.082 20 0 GGADHM Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000069300328 1409610036 /nfs/dbraw/zinc/61/00/36/1409610036.db2.gz AXVACCDPHUUOCG-AWEZNQCLSA-N -1 3 390.509 3.037 20 0 GGADHM Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000069300328 1409610044 /nfs/dbraw/zinc/61/00/44/1409610044.db2.gz AXVACCDPHUUOCG-AWEZNQCLSA-N -1 3 390.509 3.037 20 0 GGADHM CCC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000069359956 1409621860 /nfs/dbraw/zinc/62/18/60/1409621860.db2.gz LELCHTAUSVZSBS-LJQANCHMSA-N -1 3 395.503 3.271 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000069359954 1409622033 /nfs/dbraw/zinc/62/20/33/1409622033.db2.gz LELCHTAUSVZSBS-IBGZPJMESA-N -1 3 395.503 3.271 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000069385548 1409625611 /nfs/dbraw/zinc/62/56/11/1409625611.db2.gz HCFYTCSDZSWAHI-HUUCEWRRSA-N -1 3 393.270 3.349 20 0 GGADHM COc1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c([O-])c1 ZINC000069412551 1409631618 /nfs/dbraw/zinc/63/16/18/1409631618.db2.gz CKQFACJCEOURGY-UHFFFAOYSA-N -1 3 378.831 3.151 20 0 GGADHM O=C(NCC1(Sc2ccccc2)CCCC1)NNC(=O)c1ccccc1[O-] ZINC000069504544 1409645182 /nfs/dbraw/zinc/64/51/82/1409645182.db2.gz NLACUMMAENQNFG-UHFFFAOYSA-N -1 3 385.489 3.441 20 0 GGADHM CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000069747667 1409691466 /nfs/dbraw/zinc/69/14/66/1409691466.db2.gz UDOFEGYLDGHBAL-UHFFFAOYSA-N -1 3 391.320 3.306 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(=O)[n-]1 ZINC000069962127 1409731944 /nfs/dbraw/zinc/73/19/44/1409731944.db2.gz ZGCGRJZWXXVTGY-KRWDZBQOSA-N -1 3 391.418 3.115 20 0 GGADHM CC(C)OCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000070034677 1409742732 /nfs/dbraw/zinc/74/27/32/1409742732.db2.gz KPOBMKJXTVMREF-UHFFFAOYSA-N -1 3 381.425 3.208 20 0 GGADHM CCOc1cc2c(cc1C=CC(=O)Nc1cccc(-c3nnn[n-]3)c1)O[C@H](C)C2 ZINC000070731047 1409761612 /nfs/dbraw/zinc/76/16/12/1409761612.db2.gz MOANKERMSABESR-SBDDDAINSA-N -1 3 391.431 3.241 20 0 GGADHM CCOc1cc2c(cc1C=CC(=O)Nc1cccc(-c3nn[n-]n3)c1)O[C@H](C)C2 ZINC000070731047 1409761617 /nfs/dbraw/zinc/76/16/17/1409761617.db2.gz MOANKERMSABESR-SBDDDAINSA-N -1 3 391.431 3.241 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)cc2)cc1 ZINC000071093320 1409820597 /nfs/dbraw/zinc/82/05/97/1409820597.db2.gz ALMUASTYDXPCEF-QRQLOZEOSA-N -1 3 386.473 3.302 20 0 GGADHM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000071939817 1409831766 /nfs/dbraw/zinc/83/17/66/1409831766.db2.gz WTJAAAGDBJWTAI-UHFFFAOYSA-N -1 3 393.365 3.401 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000072003802 1409835994 /nfs/dbraw/zinc/83/59/94/1409835994.db2.gz CNYNDAMLIOCALZ-AWEZNQCLSA-N -1 3 399.472 3.264 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1OC 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JUTCHJBCKHXTJO-HXUWFJFHSA-N -1 3 378.472 3.061 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)cc(OC)c3O)c2)n1 ZINC000094015716 1410292927 /nfs/dbraw/zinc/29/29/27/1410292927.db2.gz HLTQBESZJKGSJL-UHFFFAOYSA-N -1 3 379.416 3.274 20 0 GGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)c1 ZINC000094019467 1410293909 /nfs/dbraw/zinc/29/39/09/1410293909.db2.gz ZYCGOSKBMBICRE-UHFFFAOYSA-N -1 3 376.840 3.237 20 0 GGADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3N3CCC(O)CC3)c([O-])c2O1 ZINC000094032175 1410295248 /nfs/dbraw/zinc/29/52/48/1410295248.db2.gz FVUOTFSECZPJAC-UHFFFAOYSA-N -1 3 382.460 3.319 20 0 GGADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnc2n1CCC2 ZINC000094037494 1410296971 /nfs/dbraw/zinc/29/69/71/1410296971.db2.gz PRJFTTUISWLBEV-HNNXBMFYSA-N -1 3 376.460 3.206 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CSC[C@H]1C(=O)N1CCCC1 ZINC000094075311 1410302074 /nfs/dbraw/zinc/30/20/74/1410302074.db2.gz VQOVOMBOAJMVBE-IBGZPJMESA-N -1 3 396.512 3.121 20 0 GGADHM NC(=O)CCN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1ccccc1 ZINC000094089815 1410302702 /nfs/dbraw/zinc/30/27/02/1410302702.db2.gz KXDNYXSYLZYFTN-UHFFFAOYSA-N -1 3 390.439 3.493 20 0 GGADHM CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](C)CS(=O)(=O)CC ZINC000094137110 1410306999 /nfs/dbraw/zinc/30/69/99/1410306999.db2.gz WRLYRKHBDDHIFO-MRXNPFEDSA-N -1 3 389.517 3.268 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000097529156 1410373049 /nfs/dbraw/zinc/37/30/49/1410373049.db2.gz WJYUEBLRWBFOKU-MRXNPFEDSA-N -1 3 378.498 3.328 20 0 GGADHM COc1ccc(C2(CNC(=O)c3c[n-]c4ccccc4c3=O)CCOCC2)cc1 ZINC000098021915 1410394703 /nfs/dbraw/zinc/39/47/03/1410394703.db2.gz WLHQSJRNZWDJLD-UHFFFAOYSA-N -1 3 392.455 3.015 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000098033871 1410399417 /nfs/dbraw/zinc/39/94/17/1410399417.db2.gz DBGVNZCVBXXMCV-SFHVURJKSA-N -1 3 399.878 3.201 20 0 GGADHM Cc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)c1 ZINC000098041961 1410401986 /nfs/dbraw/zinc/40/19/86/1410401986.db2.gz LLQNXCCODGTSOK-UHFFFAOYSA-N -1 3 378.469 3.406 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1Cl ZINC000098066368 1410403742 /nfs/dbraw/zinc/40/37/42/1410403742.db2.gz SKNZJPIEVIRZJG-UHFFFAOYSA-N -1 3 379.309 3.164 20 0 GGADHM COc1ccc(CCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000098093291 1410410057 /nfs/dbraw/zinc/41/00/57/1410410057.db2.gz LHOYKEKPWOAVBD-UHFFFAOYSA-N -1 3 396.487 3.098 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1 ZINC000098106308 1410420274 /nfs/dbraw/zinc/42/02/74/1410420274.db2.gz YKAFKUHHMKHLAT-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000098105824 1410420400 /nfs/dbraw/zinc/42/04/00/1410420400.db2.gz ICWXUYZOVCZTER-HXUWFJFHSA-N -1 3 389.455 3.247 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000101519430 1410445012 /nfs/dbraw/zinc/44/50/12/1410445012.db2.gz BFUPVCOOONFSBT-UHFFFAOYSA-N -1 3 383.835 3.249 20 0 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376.412 3.078 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCCOc3ccc(F)cc3)nc2)n1 ZINC000109317798 1411740322 /nfs/dbraw/zinc/74/03/22/1411740322.db2.gz KRPGGVICIOHNIO-UHFFFAOYSA-N -1 3 382.439 3.439 20 0 GGADHM O=c1[n-]nc(SCc2ccc(OCc3ccccn3)cc2)n1C[C@H]1CCCO1 ZINC000109342063 1411744709 /nfs/dbraw/zinc/74/47/09/1411744709.db2.gz AIEFUACWBGXLCF-GOSISDBHSA-N -1 3 398.488 3.017 20 0 GGADHM CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3F)cc2)CC1 ZINC000109423623 1411758898 /nfs/dbraw/zinc/75/88/98/1411758898.db2.gz LQZYNVYCSNKVRL-UHFFFAOYSA-N -1 3 383.876 3.032 20 0 GGADHM CCN(c1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1)C(C)C ZINC000109423218 1411759171 /nfs/dbraw/zinc/75/91/71/1411759171.db2.gz WJSDNMGPCMQHPQ-UHFFFAOYSA-N -1 3 387.509 3.312 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)c(C)c3)cc2C[C@H]1C ZINC000109424843 1411760149 /nfs/dbraw/zinc/76/01/49/1411760149.db2.gz XGWIRZOHUSHXHK-CQSZACIVSA-N -1 3 387.505 3.159 20 0 GGADHM Cc1nc(C)c(Cc2nc(-c3ccc(Oc4ccccc4)nc3)no2)c(=O)[n-]1 ZINC000109571166 1411789075 /nfs/dbraw/zinc/78/90/75/1411789075.db2.gz GKTMWKREHLTDNT-UHFFFAOYSA-N -1 3 375.388 3.215 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(NCCc3ccccc3)cc2)c(=O)[n-]1 ZINC000109627021 1411801283 /nfs/dbraw/zinc/80/12/83/1411801283.db2.gz KTPLJCAKSKRIML-UHFFFAOYSA-N -1 3 376.460 3.223 20 0 GGADHM O=C(CCOc1ccccc1)[N-]OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000109743933 1411807181 /nfs/dbraw/zinc/80/71/81/1411807181.db2.gz OWSBIHPNLUWHMZ-UHFFFAOYSA-N -1 3 382.338 3.161 20 0 GGADHM CC(C)[C@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1ccc(F)cc1 ZINC000109744422 1411807185 /nfs/dbraw/zinc/80/71/85/1411807185.db2.gz IVIOTGGVSOHRKK-NRFANRHFSA-N -1 3 388.439 3.156 20 0 GGADHM CN(C)[C@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000109811006 1411811805 /nfs/dbraw/zinc/81/18/05/1411811805.db2.gz GNVPQSDEAAJHBS-HNNXBMFYSA-N -1 3 386.496 3.317 20 0 GGADHM CN(C)[C@@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000109811003 1411811953 /nfs/dbraw/zinc/81/19/53/1411811953.db2.gz GNVPQSDEAAJHBS-OAHLLOKOSA-N -1 3 386.496 3.317 20 0 GGADHM O=[S@](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000109839111 1411812968 /nfs/dbraw/zinc/81/29/68/1411812968.db2.gz MOHVBNOSXNLEDT-QFIPXVFZSA-N -1 3 392.329 3.221 20 0 GGADHM O=C(Nc1ccncc1[O-])[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000109890020 1411816820 /nfs/dbraw/zinc/81/68/20/1411816820.db2.gz BEWFXMGVPDNHMX-INIZCTEOSA-N -1 3 375.428 3.431 20 0 GGADHM Cc1nc(-c2ccc(CCNC(=O)c3nnc4ccccc4c3[O-])s2)cs1 ZINC000109935250 1411819523 /nfs/dbraw/zinc/81/95/23/1411819523.db2.gz AVGNEDWFJGNTHO-UHFFFAOYSA-N -1 3 396.497 3.389 20 0 GGADHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000109944166 1411820378 /nfs/dbraw/zinc/82/03/78/1411820378.db2.gz ONUPDHPJKREVMX-UHFFFAOYSA-N -1 3 377.322 3.094 20 0 GGADHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000109958738 1411821153 /nfs/dbraw/zinc/82/11/53/1411821153.db2.gz VOGHGKOMBFFWKT-CYBMUJFWSA-N -1 3 398.887 3.293 20 0 GGADHM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1nnc2ccccc2c1[O-] ZINC000109956894 1411821204 /nfs/dbraw/zinc/82/12/04/1411821204.db2.gz AYWOZHJIEMXPHX-UHFFFAOYSA-N -1 3 397.862 3.055 20 0 GGADHM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1nnc2ccccc2c1[O-] ZINC000109961704 1411821552 /nfs/dbraw/zinc/82/15/52/1411821552.db2.gz XIYPNODKLUNQIO-UHFFFAOYSA-N -1 3 388.427 3.283 20 0 GGADHM CN(Cc1ccc(Br)s1)C(=O)c1nnc2ccccc2c1[O-] ZINC000110042087 1411827210 /nfs/dbraw/zinc/82/72/10/1411827210.db2.gz HAFWAMFMBXBYEH-UHFFFAOYSA-N -1 3 378.251 3.019 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]nc3-c3cccnc3)c2)n1 ZINC000110056464 1411828272 /nfs/dbraw/zinc/82/82/72/1411828272.db2.gz QEIIHUHOXXZQBC-UHFFFAOYSA-N -1 3 386.415 3.037 20 0 GGADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000110060566 1411828555 /nfs/dbraw/zinc/82/85/55/1411828555.db2.gz YERNNCZNZNCNNF-UHFFFAOYSA-N -1 3 384.439 3.469 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)cc1 ZINC000110095637 1411831463 /nfs/dbraw/zinc/83/14/63/1411831463.db2.gz YBPSYKQOSOQQFQ-UHFFFAOYSA-N -1 3 378.457 3.429 20 0 GGADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cccnc1-n1cccn1 ZINC000110123279 1411832820 /nfs/dbraw/zinc/83/28/20/1411832820.db2.gz ALRMEJKCWBUSQT-UHFFFAOYSA-N -1 3 382.367 3.228 20 0 GGADHM O=C(NCc1ccc(-n2cncn2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110223234 1411838520 /nfs/dbraw/zinc/83/85/20/1411838520.db2.gz YIGBKAXNCHAPQU-UHFFFAOYSA-N -1 3 384.439 3.494 20 0 GGADHM Cc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1NC(=O)C(C)(C)C ZINC000110462704 1411851649 /nfs/dbraw/zinc/85/16/49/1411851649.db2.gz QNYODHGFEWYRNT-UHFFFAOYSA-N -1 3 384.480 3.251 20 0 GGADHM CCc1nc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cs1 ZINC000110502956 1411853653 /nfs/dbraw/zinc/85/36/53/1411853653.db2.gz IDINJSOLJTZRMY-NSHDSACASA-N -1 3 399.513 3.022 20 0 GGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(Br)ccc3F)ccc2o1 ZINC000110590471 1411858875 /nfs/dbraw/zinc/85/88/75/1411858875.db2.gz WXJPTKUXXZBCFG-UHFFFAOYSA-N -1 3 398.209 3.495 20 0 GGADHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000110590506 1411858930 /nfs/dbraw/zinc/85/89/30/1411858930.db2.gz WWUARWKTINJWIP-UHFFFAOYSA-N -1 3 386.198 3.059 20 0 GGADHM COc1ccccc1Oc1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000110967495 1411879468 /nfs/dbraw/zinc/87/94/68/1411879468.db2.gz TZCPIBLYDPVSPZ-UHFFFAOYSA-N -1 3 393.443 3.047 20 0 GGADHM Cc1cccc(COc2cccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)c2)c1 ZINC000111121572 1411888567 /nfs/dbraw/zinc/88/85/67/1411888567.db2.gz YZRWDRAGANEYTF-UHFFFAOYSA-N -1 3 377.444 3.455 20 0 GGADHM C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cc(Cl)ccc1[O-])C2=O ZINC000111210817 1411895977 /nfs/dbraw/zinc/89/59/77/1411895977.db2.gz PXESMYLWKZQQKP-WLRWDXFRSA-N -1 3 393.871 3.121 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC000111210715 1411895999 /nfs/dbraw/zinc/89/59/99/1411895999.db2.gz VHLYZJGFBJWKEW-UHFFFAOYSA-N -1 3 396.896 3.278 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000111324860 1411916258 /nfs/dbraw/zinc/91/62/58/1411916258.db2.gz GKAJDPVKTGUKKI-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000111353907 1411922408 /nfs/dbraw/zinc/92/24/08/1411922408.db2.gz FSVRVRMKYGKPPY-JTQLQIEISA-N -1 3 395.308 3.281 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000111537469 1411988836 /nfs/dbraw/zinc/98/88/36/1411988836.db2.gz OZDXIQNQODTFCJ-UYAOXDASSA-N -1 3 393.487 3.196 20 0 GGADHM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1nnc2ccccc2c1[O-] ZINC000111548217 1411990171 /nfs/dbraw/zinc/99/01/71/1411990171.db2.gz YUEMNKUZNCYATG-UHFFFAOYSA-N -1 3 390.424 3.234 20 0 GGADHM COc1cc([C@H](C)NC(=O)c2nnc3ccccc3c2[O-])ccc1OC(C)C ZINC000111564189 1411991543 /nfs/dbraw/zinc/99/15/43/1411991543.db2.gz OUKOTTCPDDMGLP-ZDUSSCGKSA-N -1 3 381.432 3.210 20 0 GGADHM COc1cc([C@@H](C)NC(=O)c2nnc3ccccc3c2[O-])ccc1OC(C)C ZINC000111564185 1411991900 /nfs/dbraw/zinc/99/19/00/1411991900.db2.gz OUKOTTCPDDMGLP-CYBMUJFWSA-N -1 3 381.432 3.210 20 0 GGADHM CC[C@H](Sc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000111562124 1411992269 /nfs/dbraw/zinc/99/22/69/1411992269.db2.gz ZOMXWGJPVUPQHC-IBGZPJMESA-N -1 3 384.501 3.248 20 0 GGADHM CCCOc1ccc([C@@H](C)NC(=O)c2nnc3ccccc3c2[O-])cc1OC ZINC000111568910 1411993606 /nfs/dbraw/zinc/99/36/06/1411993606.db2.gz CFOHPWARXQVGMG-CYBMUJFWSA-N -1 3 381.432 3.212 20 0 GGADHM O=C(NCc1ccccc1)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000111579326 1411994903 /nfs/dbraw/zinc/99/49/03/1411994903.db2.gz FAFRFORXEYOISY-UHFFFAOYSA-N -1 3 398.422 3.105 20 0 GGADHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1NC(=O)c1ccncc1 ZINC000111583738 1411996431 /nfs/dbraw/zinc/99/64/31/1411996431.db2.gz QJNMIOXSTFMJAA-UHFFFAOYSA-N -1 3 399.410 3.131 20 0 GGADHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1nnc2ccccc2c1[O-] ZINC000111594749 1411999209 /nfs/dbraw/zinc/99/92/09/1411999209.db2.gz PZQXJKGFUNJENU-UHFFFAOYSA-N -1 3 375.413 3.117 20 0 GGADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1nnc2ccccc2c1[O-] ZINC000111609115 1412001387 /nfs/dbraw/zinc/00/13/87/1412001387.db2.gz OALVSCDLYCLFNA-UHFFFAOYSA-N -1 3 381.442 3.178 20 0 GGADHM CC(C)(c1nnc(NC(=O)c2nnc3ccccc3c2[O-])s1)c1ccccc1 ZINC000111615133 1412002038 /nfs/dbraw/zinc/00/20/38/1412002038.db2.gz VUQDEFNPSRPCRO-UHFFFAOYSA-N -1 3 391.456 3.353 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000111617522 1412002097 /nfs/dbraw/zinc/00/20/97/1412002097.db2.gz YNOZTRZNMZTQSI-FQEVSTJZSA-N -1 3 385.423 3.451 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000177176776 1428615669 /nfs/dbraw/zinc/61/56/69/1428615669.db2.gz OOECTEHDOUNSDV-UHFFFAOYSA-N -1 3 380.366 3.249 20 0 GGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000111900937 1412047016 /nfs/dbraw/zinc/04/70/16/1412047016.db2.gz XPDLAAIVRUVDAQ-SFTDATJTSA-N -1 3 393.487 3.196 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000112287909 1412122074 /nfs/dbraw/zinc/12/20/74/1412122074.db2.gz HDKPIGOABSWZMA-UHFFFAOYSA-N -1 3 390.487 3.252 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000112335168 1412132504 /nfs/dbraw/zinc/13/25/04/1412132504.db2.gz VGKFKPIKWNYBOG-UHFFFAOYSA-N -1 3 376.840 3.358 20 0 GGADHM CCCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)CC(F)(F)F ZINC000112340164 1412133269 /nfs/dbraw/zinc/13/32/69/1412133269.db2.gz RQXXDEKCZIWEGO-UHFFFAOYSA-N -1 3 391.415 3.244 20 0 GGADHM CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000112393313 1412138978 /nfs/dbraw/zinc/13/89/78/1412138978.db2.gz VADBZSMBVJZWIJ-HNNXBMFYSA-N -1 3 392.908 3.465 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2ccc(F)cc2Cl)c(=O)[n-]1 ZINC000112841692 1412223778 /nfs/dbraw/zinc/22/37/78/1412223778.db2.gz NUQQNXVELFTBOT-UHFFFAOYSA-N -1 3 379.863 3.206 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000113175056 1412270750 /nfs/dbraw/zinc/27/07/50/1412270750.db2.gz UAOBCYFWGDHLSE-CRAIPNDOSA-N -1 3 382.460 3.026 20 0 GGADHM Cc1ccc(N(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl ZINC000113191750 1412273150 /nfs/dbraw/zinc/27/31/50/1412273150.db2.gz IBDNIWSADUQNBU-UHFFFAOYSA-N -1 3 382.851 3.308 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)CCCC2)no1 ZINC000113278457 1412287613 /nfs/dbraw/zinc/28/76/13/1412287613.db2.gz QQJGCQGELKQXGC-UHFFFAOYSA-N -1 3 389.399 3.286 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1OC ZINC000114054281 1412377753 /nfs/dbraw/zinc/37/77/53/1412377753.db2.gz UPVCOMKKDLGMKI-UHFFFAOYSA-N -1 3 382.457 3.014 20 0 GGADHM Cc1ccccc1CCNC(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000114185511 1412388932 /nfs/dbraw/zinc/38/89/32/1412388932.db2.gz MGQLUKVIQXMMCZ-UHFFFAOYSA-N -1 3 376.456 3.097 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000114185444 1412389068 /nfs/dbraw/zinc/38/90/68/1412389068.db2.gz DERISGBTYFZCEC-INIZCTEOSA-N -1 3 392.455 3.316 20 0 GGADHM Cc1sc2ncn([N-]C(=O)c3ccc(F)nc3)c(=O)c2c1-c1ccccc1 ZINC000114221976 1412394753 /nfs/dbraw/zinc/39/47/53/1412394753.db2.gz FQCWUIQXHJOBKC-UHFFFAOYSA-N -1 3 380.404 3.351 20 0 GGADHM Cc1ccc2cccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2n1 ZINC000114579270 1412465996 /nfs/dbraw/zinc/46/59/96/1412465996.db2.gz HKAPVAUVGKRXBE-UHFFFAOYSA-N -1 3 390.443 3.239 20 0 GGADHM Cc1nc(C)c(CC(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)c(=O)[n-]1 ZINC000114628927 1412480984 /nfs/dbraw/zinc/48/09/84/1412480984.db2.gz NGHYONMDZZOWOG-AWEZNQCLSA-N -1 3 388.773 3.299 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H](C(C)C)CC3)nc(=O)c2c1C ZINC000114730220 1412514288 /nfs/dbraw/zinc/51/42/88/1412514288.db2.gz OYFKCFOPRTURSA-CYBMUJFWSA-N -1 3 377.510 3.338 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3ccco3)c2)cc1 ZINC000115240603 1412619085 /nfs/dbraw/zinc/61/90/85/1412619085.db2.gz ZANDPFOGETVHKH-UHFFFAOYSA-N -1 3 386.429 3.019 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)c(Cl)c2)cc1C ZINC000115312648 1412645171 /nfs/dbraw/zinc/64/51/71/1412645171.db2.gz KRHKPVNUSRPYQL-UHFFFAOYSA-N -1 3 396.896 3.225 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCCCC1)c1ccc(Br)s1 ZINC000115381605 1412663779 /nfs/dbraw/zinc/66/37/79/1412663779.db2.gz YWURDPYQQACDLJ-NSHDSACASA-N -1 3 382.345 3.120 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000115646958 1412743732 /nfs/dbraw/zinc/74/37/32/1412743732.db2.gz MLYWQSKHGGGJBB-UHFFFAOYSA-N -1 3 379.825 3.200 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000115646958 1412743748 /nfs/dbraw/zinc/74/37/48/1412743748.db2.gz MLYWQSKHGGGJBB-UHFFFAOYSA-N -1 3 379.825 3.200 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826506206 1428674505 /nfs/dbraw/zinc/67/45/05/1428674505.db2.gz ORHRLZDOCIDWCD-DLBZAZTESA-N -1 3 389.381 3.193 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826506206 1428674508 /nfs/dbraw/zinc/67/45/08/1428674508.db2.gz ORHRLZDOCIDWCD-DLBZAZTESA-N -1 3 389.381 3.193 20 0 GGADHM Cc1cccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000115857829 1412803157 /nfs/dbraw/zinc/80/31/57/1412803157.db2.gz FEMUZKNDIBPJBH-QGZVFWFLSA-N -1 3 381.476 3.238 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000116136626 1412835926 /nfs/dbraw/zinc/83/59/26/1412835926.db2.gz GJKWGPZDEFESGL-QGZVFWFLSA-N -1 3 391.924 3.289 20 0 GGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000116158000 1412837862 /nfs/dbraw/zinc/83/78/62/1412837862.db2.gz AIJFRHLMJGRSIY-YGKSGEMWSA-N -1 3 382.485 3.457 20 0 GGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000116452987 1412862391 /nfs/dbraw/zinc/86/23/91/1412862391.db2.gz JIJWZISPBOCKSN-HHHXNRCGSA-N -1 3 383.473 3.223 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000116530787 1412872965 /nfs/dbraw/zinc/87/29/65/1412872965.db2.gz VNSWWJCKVNDSGT-JTQLQIEISA-N -1 3 380.919 3.079 20 0 GGADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1)C(C)C ZINC000116601177 1412885800 /nfs/dbraw/zinc/88/58/00/1412885800.db2.gz ODOGOVDNPYMHJE-UHFFFAOYSA-N -1 3 387.505 3.008 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c(=O)[n-]1 ZINC000116665925 1412894641 /nfs/dbraw/zinc/89/46/41/1412894641.db2.gz POWLOILHEYEHFJ-UHFFFAOYSA-N -1 3 387.911 3.454 20 0 GGADHM COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000116711470 1412901608 /nfs/dbraw/zinc/90/16/08/1412901608.db2.gz XBMJAZGCWWEOKB-VWLOTQADSA-N -1 3 395.546 3.308 20 0 GGADHM COc1cccc(C[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000116774532 1412922855 /nfs/dbraw/zinc/92/28/55/1412922855.db2.gz FRRINEMSOAGWKB-SFHVURJKSA-N -1 3 396.487 3.063 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)s1 ZINC000116881293 1412948696 /nfs/dbraw/zinc/94/86/96/1412948696.db2.gz WHQKIYZFDWVNHL-LLVKDONJSA-N -1 3 396.509 3.436 20 0 GGADHM CCO[C@H](C)c1nc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cs1 ZINC000117135749 1413005338 /nfs/dbraw/zinc/00/53/38/1413005338.db2.gz XHLCKVMUGPGLIG-CYBMUJFWSA-N -1 3 398.488 3.481 20 0 GGADHM CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cs1 ZINC000117135746 1413005481 /nfs/dbraw/zinc/00/54/81/1413005481.db2.gz XHLCKVMUGPGLIG-ZDUSSCGKSA-N -1 3 398.488 3.481 20 0 GGADHM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000117228300 1413014661 /nfs/dbraw/zinc/01/46/61/1413014661.db2.gz SVVOBFAOVUXSCB-UHFFFAOYSA-N -1 3 376.478 3.253 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)c(C)c1C ZINC000117227985 1413014967 /nfs/dbraw/zinc/01/49/67/1413014967.db2.gz VKCSFADPEWETLB-UHFFFAOYSA-N -1 3 388.489 3.349 20 0 GGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000117387194 1413033193 /nfs/dbraw/zinc/03/31/93/1413033193.db2.gz DGGZFWJXIUVVMJ-UHFFFAOYSA-N -1 3 378.461 3.349 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000117540462 1413051008 /nfs/dbraw/zinc/05/10/08/1413051008.db2.gz LKLMCUMLGGQLGE-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1C ZINC000118161488 1413117417 /nfs/dbraw/zinc/11/74/17/1413117417.db2.gz NVTVBXSUBQWALS-UHFFFAOYSA-N -1 3 375.425 3.438 20 0 GGADHM O=C(NC1CCCCC1)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118319253 1413149751 /nfs/dbraw/zinc/14/97/51/1413149751.db2.gz JACUBVLXVPXIKK-UHFFFAOYSA-N -1 3 390.443 3.238 20 0 GGADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118324863 1413150430 /nfs/dbraw/zinc/15/04/30/1413150430.db2.gz DNWFOUAAEGYNAM-UHFFFAOYSA-N -1 3 395.419 3.199 20 0 GGADHM Cn1ccnc1Sc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118323440 1413150502 /nfs/dbraw/zinc/15/05/02/1413150502.db2.gz XNXSDEIWELLWTA-UHFFFAOYSA-N -1 3 377.429 3.060 20 0 GGADHM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1nnc2ccccc2c1[O-] ZINC000118330969 1413151465 /nfs/dbraw/zinc/15/14/65/1413151465.db2.gz JSBJZZPQTHLHPB-UHFFFAOYSA-N -1 3 384.439 3.469 20 0 GGADHM COC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(C(F)(F)F)c1 ZINC000118348968 1413153745 /nfs/dbraw/zinc/15/37/45/1413153745.db2.gz TZDKPEFCGCARHK-OAHLLOKOSA-N -1 3 391.349 3.059 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118458062 1413162491 /nfs/dbraw/zinc/16/24/91/1413162491.db2.gz FPZRXPZHTCRWEF-ZDUSSCGKSA-N -1 3 381.285 3.134 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3(O)CCCC3)cc2)cc1 ZINC000118761950 1413216313 /nfs/dbraw/zinc/21/63/13/1413216313.db2.gz HNBHUDFOFGFZCV-UHFFFAOYSA-N -1 3 388.489 3.430 20 0 GGADHM C[C@H]1CN(CC2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)C[C@H](C)O1 ZINC000118784933 1413220734 /nfs/dbraw/zinc/22/07/34/1413220734.db2.gz SPVPEPNPVFTSNP-KBPBESRZSA-N -1 3 389.521 3.078 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3NC(C)C)c2)n1 ZINC000118878121 1413256266 /nfs/dbraw/zinc/25/62/66/1413256266.db2.gz MYGZDRWFHMOYBT-UHFFFAOYSA-N -1 3 377.448 3.467 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cnn(-c2ccc(F)cc2)n1 ZINC000119036404 1413311964 /nfs/dbraw/zinc/31/19/64/1413311964.db2.gz MWRBSRWUWQRFBE-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=S1(=O)[N-]C(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)=Nc2ccccc21 ZINC000119125219 1413346979 /nfs/dbraw/zinc/34/69/79/1413346979.db2.gz CDWGSTBICMPXPT-ZWKOTPCHSA-N -1 3 383.517 3.400 20 0 GGADHM COC(=O)C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(C(F)(F)F)cc1 ZINC000119131057 1413349990 /nfs/dbraw/zinc/34/99/90/1413349990.db2.gz LHKCUUVSBPRGJB-AWEZNQCLSA-N -1 3 392.337 3.011 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F ZINC000177404422 1428721436 /nfs/dbraw/zinc/72/14/36/1428721436.db2.gz QDNYIKBSUXAIGY-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H](CC(C)C)C3)nc(=O)c2c1C ZINC000119184916 1413369573 /nfs/dbraw/zinc/36/95/73/1413369573.db2.gz IAXWWZFIDJJNRU-ZDUSSCGKSA-N -1 3 377.510 3.338 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)c(C)o1 ZINC000119214190 1413377447 /nfs/dbraw/zinc/37/74/47/1413377447.db2.gz DCSUKFJIYMZWSY-JXFKEZNVSA-N -1 3 388.489 3.038 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1F ZINC000177406830 1428722072 /nfs/dbraw/zinc/72/20/72/1428722072.db2.gz IHMVMNMJMQCRGH-UHFFFAOYSA-N -1 3 376.331 3.005 20 0 GGADHM Cc1ccc(C(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000119218603 1413378445 /nfs/dbraw/zinc/37/84/45/1413378445.db2.gz XJFYULWXZZQVIN-HNNXBMFYSA-N -1 3 376.338 3.357 20 0 GGADHM O=S(=O)([N-]C1CCN(c2cccs2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000119314749 1413409350 /nfs/dbraw/zinc/40/93/50/1413409350.db2.gz YUHQBLREQFSNKI-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)cc1NC1CC1 ZINC000119328466 1413413568 /nfs/dbraw/zinc/41/35/68/1413413568.db2.gz RDQDJFPJTWNWGO-UHFFFAOYSA-N -1 3 393.422 3.035 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3c(F)cccc3F)c(C)c2)CC1 ZINC000119369398 1413426818 /nfs/dbraw/zinc/42/68/18/1413426818.db2.gz YGKKICHRDQICMP-UHFFFAOYSA-N -1 3 395.475 3.216 20 0 GGADHM CN(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000119413969 1413439068 /nfs/dbraw/zinc/43/90/68/1413439068.db2.gz COGXTNBMURFRNT-UHFFFAOYSA-N -1 3 393.484 3.221 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1sc2nc(COC)nc(OC)c2c1C ZINC000119442421 1413448096 /nfs/dbraw/zinc/44/80/96/1413448096.db2.gz ROUSJDJHPCRWAI-UHFFFAOYSA-N -1 3 376.438 3.266 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000119491950 1413464680 /nfs/dbraw/zinc/46/46/80/1413464680.db2.gz XOWNONQIFCDNFM-UHFFFAOYSA-N -1 3 390.386 3.247 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@@H]3CC(=O)c3cccs3)cc(=O)oc12 ZINC000119575255 1413490676 /nfs/dbraw/zinc/49/06/76/1413490676.db2.gz ABODCMYZIGUYNJ-HNNXBMFYSA-N -1 3 399.468 3.342 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)ccc1F ZINC000177426012 1428731433 /nfs/dbraw/zinc/73/14/33/1428731433.db2.gz WYURGOXIQDCDMB-CYBMUJFWSA-N -1 3 394.468 3.012 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)ccc1F ZINC000177426029 1428731557 /nfs/dbraw/zinc/73/15/57/1428731557.db2.gz WYURGOXIQDCDMB-ZDUSSCGKSA-N -1 3 394.468 3.012 20 0 GGADHM C[C@H](c1ccco1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000119663470 1413521039 /nfs/dbraw/zinc/52/10/39/1413521039.db2.gz ZFPHCOJQOJULTN-GFCCVEGCSA-N -1 3 382.457 3.329 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)ccc1F ZINC000177433299 1428735462 /nfs/dbraw/zinc/73/54/62/1428735462.db2.gz XCDLCKOJSSHJSW-MRXNPFEDSA-N -1 3 396.871 3.365 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccc1F ZINC000177433276 1428735612 /nfs/dbraw/zinc/73/56/12/1428735612.db2.gz YXKDOGAASDLLHL-UHFFFAOYSA-N -1 3 380.441 3.021 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3ccccc3Br)C2)n1 ZINC000119728353 1413547188 /nfs/dbraw/zinc/54/71/88/1413547188.db2.gz IHYSFSNOCHHGHZ-HNNXBMFYSA-N -1 3 378.270 3.081 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1OC ZINC000177434293 1428736148 /nfs/dbraw/zinc/73/61/48/1428736148.db2.gz YAQIDAWLVHLWIB-UHFFFAOYSA-N -1 3 388.489 3.418 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1 ZINC000119786708 1413568824 /nfs/dbraw/zinc/56/88/24/1413568824.db2.gz OFUNEXUSXUTOFS-INIZCTEOSA-N -1 3 383.496 3.087 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2c(-c3ccccc3)nc3ccccn32)c(=O)[n-]1 ZINC000119844486 1413590998 /nfs/dbraw/zinc/59/09/98/1413590998.db2.gz GRUGHUGWDGKPKY-UHFFFAOYSA-N -1 3 387.443 3.273 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C3CC=CC3)c2)cc1 ZINC000119890150 1413606461 /nfs/dbraw/zinc/60/64/61/1413606461.db2.gz NTOZYAUDJJMVBN-UHFFFAOYSA-N -1 3 386.473 3.078 20 0 GGADHM C[C@H](CCC(C)(C)C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000119918694 1413616628 /nfs/dbraw/zinc/61/66/28/1413616628.db2.gz WURZLBUOSYKBPL-LLVKDONJSA-N -1 3 388.480 3.350 20 0 GGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000119918545 1413616734 /nfs/dbraw/zinc/61/67/34/1413616734.db2.gz WURZLBUOSYKBPL-NSHDSACASA-N -1 3 388.480 3.350 20 0 GGADHM CC(C)Oc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000120044925 1413666018 /nfs/dbraw/zinc/66/60/18/1413666018.db2.gz VINNRRHAKFSIOK-MRXNPFEDSA-N -1 3 387.860 3.278 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccnn3C)c2)cc1 ZINC000120059910 1413671432 /nfs/dbraw/zinc/67/14/32/1413671432.db2.gz SFJQORBBYKTUGR-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM CSC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000120063505 1413672834 /nfs/dbraw/zinc/67/28/34/1413672834.db2.gz MEXQWIIGJQKLLJ-CYBMUJFWSA-N -1 3 396.509 3.416 20 0 GGADHM CSC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000120063375 1413673059 /nfs/dbraw/zinc/67/30/59/1413673059.db2.gz MEXQWIIGJQKLLJ-ZDUSSCGKSA-N -1 3 396.509 3.416 20 0 GGADHM CC(C)N(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000120095931 1413685654 /nfs/dbraw/zinc/68/56/54/1413685654.db2.gz CYSNKNWSCNTQLT-UHFFFAOYSA-N -1 3 398.422 3.315 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000120108988 1413691319 /nfs/dbraw/zinc/69/13/19/1413691319.db2.gz XBUYUCKUZXICTD-ZDUSSCGKSA-N -1 3 375.899 3.201 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccc(OC(C)C)cc2)cc1F ZINC000120120970 1413695684 /nfs/dbraw/zinc/69/56/84/1413695684.db2.gz JSYUPQGGWGYLRW-QGZVFWFLSA-N -1 3 385.432 3.072 20 0 GGADHM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000120139487 1413703521 /nfs/dbraw/zinc/70/35/21/1413703521.db2.gz FSFYFVMZRZHKEE-UHFFFAOYSA-N -1 3 379.309 3.353 20 0 GGADHM Cc1ccc(-c2nc(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3F)cs2)n1C ZINC000120257797 1413756332 /nfs/dbraw/zinc/75/63/32/1413756332.db2.gz ZPQLSDZZJYCCTC-UHFFFAOYSA-N -1 3 393.465 3.252 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(N2CCCC2=O)c1 ZINC000120278852 1413765348 /nfs/dbraw/zinc/76/53/48/1413765348.db2.gz KJHNBPOIMDFEKJ-GFCCVEGCSA-N -1 3 380.416 3.131 20 0 GGADHM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)CC1 ZINC000120392751 1413808547 /nfs/dbraw/zinc/80/85/47/1413808547.db2.gz JNQJQMNPZAPDRR-UHFFFAOYSA-N -1 3 383.876 3.032 20 0 GGADHM CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000120509159 1413833392 /nfs/dbraw/zinc/83/33/92/1413833392.db2.gz JHYFYHKUMDESTP-CWTRNNRKSA-N -1 3 381.480 3.099 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)ccc1F ZINC000177477142 1428759067 /nfs/dbraw/zinc/75/90/67/1428759067.db2.gz OAMGQUTYRWNTKR-SFHVURJKSA-N -1 3 378.469 3.203 20 0 GGADHM CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000120605039 1413852953 /nfs/dbraw/zinc/85/29/53/1413852953.db2.gz HTLPQQDATCZJDD-JTQLQIEISA-N -1 3 391.320 3.306 20 0 GGADHM O=C([N-]c1nc(-c2cccc(Br)c2)cs1)c1cccc[n+]1[O-] ZINC000120616921 1413856156 /nfs/dbraw/zinc/85/61/56/1413856156.db2.gz MZUPVNCHQWGJQQ-UHFFFAOYSA-N -1 3 376.235 3.458 20 0 GGADHM CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825328883 1428762572 /nfs/dbraw/zinc/76/25/72/1428762572.db2.gz YECBFDNBODEBMG-GJZGRUSLSA-N -1 3 378.480 3.099 20 0 GGADHM CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825328883 1428762576 /nfs/dbraw/zinc/76/25/76/1428762576.db2.gz YECBFDNBODEBMG-GJZGRUSLSA-N -1 3 378.480 3.099 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NN1CCCCC1 ZINC000120713730 1413882825 /nfs/dbraw/zinc/88/28/25/1413882825.db2.gz XOIYFRRTNDZCOF-UHFFFAOYSA-N -1 3 391.468 3.066 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1cc(-c2cccs2)nc2ccccc21 ZINC000120726043 1413886120 /nfs/dbraw/zinc/88/61/20/1413886120.db2.gz NWUPZJSPCVNTLX-UHFFFAOYSA-N -1 3 397.485 3.418 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1ccc(Cl)nc1 ZINC000120765006 1413896066 /nfs/dbraw/zinc/89/60/66/1413896066.db2.gz WTJYPQLZISPDNJ-UHFFFAOYSA-N -1 3 375.233 3.351 20 0 GGADHM CC(C)CN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000120841763 1413923150 /nfs/dbraw/zinc/92/31/50/1413923150.db2.gz XGYUBNGBBBJPKN-UHFFFAOYSA-N -1 3 398.422 3.173 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1)c1cc(Br)ccc1Cl ZINC000120853995 1413927036 /nfs/dbraw/zinc/92/70/36/1413927036.db2.gz ZIPZXHJXKARFCP-CYBMUJFWSA-N -1 3 390.686 3.114 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)ccc1F ZINC000177491940 1428766495 /nfs/dbraw/zinc/76/64/95/1428766495.db2.gz AQECYZBBXISTPO-HOCLYGCPSA-N -1 3 390.480 3.060 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000120929854 1413951655 /nfs/dbraw/zinc/95/16/55/1413951655.db2.gz KBTAZAVYBSQZKD-UHFFFAOYSA-N -1 3 396.878 3.388 20 0 GGADHM CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000120946393 1413955928 /nfs/dbraw/zinc/95/59/28/1413955928.db2.gz GGPMWZVNZLWQQF-AWEZNQCLSA-N -1 3 376.453 3.499 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2C)ccc1F ZINC000177496792 1428769232 /nfs/dbraw/zinc/76/92/32/1428769232.db2.gz PGBOGKMXMYEAQD-GOSISDBHSA-N -1 3 390.480 3.328 20 0 GGADHM COc1ccc(-c2noc(CCCC(=O)Nc3n[n-]c(-c4ccco4)n3)n2)cc1 ZINC000120986559 1413969052 /nfs/dbraw/zinc/96/90/52/1413969052.db2.gz PQGMWFOCXASKNS-UHFFFAOYSA-N -1 3 394.391 3.085 20 0 GGADHM Cc1csc(-c2cccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)c2)n1 ZINC000120992115 1413970871 /nfs/dbraw/zinc/97/08/71/1413970871.db2.gz GLAAZKFXBDLNOU-UHFFFAOYSA-N -1 3 385.420 3.218 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000120993941 1413971477 /nfs/dbraw/zinc/97/14/77/1413971477.db2.gz AEGLMUGNVKLNCR-UHFFFAOYSA-N -1 3 390.720 3.458 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000121004439 1413974237 /nfs/dbraw/zinc/97/42/37/1413974237.db2.gz SOFCNHYCQYJHIH-UHFFFAOYSA-N -1 3 385.439 3.167 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000121008555 1413975412 /nfs/dbraw/zinc/97/54/12/1413975412.db2.gz GGEAFVIUYDRJQJ-UHFFFAOYSA-N -1 3 386.398 3.145 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@H](O)c1c(F)cccc1F ZINC000121028465 1413982076 /nfs/dbraw/zinc/98/20/76/1413982076.db2.gz MHKVILNVRFXEDV-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)ccc1F ZINC000177500291 1428771303 /nfs/dbraw/zinc/77/13/03/1428771303.db2.gz RHAKWIZUJDCYRB-SJCJKPOMSA-N -1 3 394.443 3.096 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)ccc1F ZINC000177501238 1428771379 /nfs/dbraw/zinc/77/13/79/1428771379.db2.gz LMEYRJKLYVOZJF-SJCJKPOMSA-N -1 3 394.443 3.096 20 0 GGADHM Cc1coc(-c2ccc(C)c(NC(=O)NCCNC(=O)c3ccc([O-])cc3)c2)n1 ZINC000121101778 1414008414 /nfs/dbraw/zinc/00/84/14/1414008414.db2.gz ITZXFQZDTQDITL-UHFFFAOYSA-N -1 3 394.431 3.216 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccsc1 ZINC000121113693 1414012379 /nfs/dbraw/zinc/01/23/79/1414012379.db2.gz QUBUFFNCNHXSQH-CQSZACIVSA-N -1 3 380.318 3.382 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121135687 1414020472 /nfs/dbraw/zinc/02/04/72/1414020472.db2.gz NFKFGGJXHHSLHW-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121135687 1414020477 /nfs/dbraw/zinc/02/04/77/1414020477.db2.gz NFKFGGJXHHSLHW-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc2nonc21)c1nc(C(F)(F)F)cs1 ZINC000121154359 1414027028 /nfs/dbraw/zinc/02/70/28/1414027028.db2.gz UBJVLFRMDSGCGC-ZETCQYMHSA-N -1 3 392.384 3.128 20 0 GGADHM Cc1nc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)cc2o1 ZINC000121176409 1414034060 /nfs/dbraw/zinc/03/40/60/1414034060.db2.gz OKIRLJPAYJOPMQ-UHFFFAOYSA-N -1 3 391.424 3.214 20 0 GGADHM O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000121267841 1414065435 /nfs/dbraw/zinc/06/54/35/1414065435.db2.gz YLPIEFBMVDYXKG-UHFFFAOYSA-N -1 3 398.488 3.449 20 0 GGADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000121381697 1414102150 /nfs/dbraw/zinc/10/21/50/1414102150.db2.gz BYZAEUIFDZXOKL-CQSZACIVSA-N -1 3 375.277 3.181 20 0 GGADHM COc1ccc([C@H](OC)[C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826188626 1428781885 /nfs/dbraw/zinc/78/18/85/1428781885.db2.gz BRLSKMXPIVTPSS-QHRIQVFBSA-N -1 3 385.443 3.441 20 0 GGADHM COc1ccc([C@H](OC)[C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826188626 1428781890 /nfs/dbraw/zinc/78/18/90/1428781890.db2.gz BRLSKMXPIVTPSS-QHRIQVFBSA-N -1 3 385.443 3.441 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCN(C(=O)c3sc4ccccc4c3C)CC2)n1 ZINC000121428762 1414118547 /nfs/dbraw/zinc/11/85/47/1414118547.db2.gz XEFZPPIHLLVYRG-UHFFFAOYSA-N -1 3 396.516 3.226 20 0 GGADHM O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NCc1ccc([O-])c(F)c1 ZINC000121443950 1414124175 /nfs/dbraw/zinc/12/41/75/1414124175.db2.gz QNNNYYPBQMPLCJ-UHFFFAOYSA-N -1 3 383.379 3.376 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000121613729 1414201097 /nfs/dbraw/zinc/20/10/97/1414201097.db2.gz JNZUQDKYRPNPGH-UHFFFAOYSA-N -1 3 380.416 3.310 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)n1 ZINC000121620782 1414203628 /nfs/dbraw/zinc/20/36/28/1414203628.db2.gz KVTXTMZDBASCRY-UHFFFAOYSA-N -1 3 378.517 3.214 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)OC1CCCCC1 ZINC000177552509 1428790808 /nfs/dbraw/zinc/79/08/08/1428790808.db2.gz BADPUIRQZWXWOW-UHFFFAOYSA-N -1 3 379.400 3.001 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@@H](C)c3cnccn3)c2)cc1 ZINC000121703287 1414229324 /nfs/dbraw/zinc/22/93/24/1414229324.db2.gz DJWUJBICCQCXML-HNNXBMFYSA-N -1 3 398.488 3.137 20 0 GGADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)c1nc(-c2nc[nH]n2)no1 ZINC000121727394 1414237889 /nfs/dbraw/zinc/23/78/89/1414237889.db2.gz ZXUQRWKJVZDLAQ-SSDOTTSWSA-N -1 3 390.429 3.442 20 0 GGADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)c1nc(-c2nc[nH]n2)no1 ZINC000121727209 1414238018 /nfs/dbraw/zinc/23/80/18/1414238018.db2.gz ZXUQRWKJVZDLAQ-ZETCQYMHSA-N -1 3 390.429 3.442 20 0 GGADHM CCc1noc(CC)c1CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000121731974 1414239241 /nfs/dbraw/zinc/23/92/41/1414239241.db2.gz DTIRPUMZBFDWTC-UHFFFAOYSA-N -1 3 380.448 3.293 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(-c2nn[n-]n2)c1C ZINC000826264213 1428791745 /nfs/dbraw/zinc/79/17/45/1428791745.db2.gz GBYWITLVGRRVSG-KGLIPLIRSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(-c2nnn[n-]2)c1C ZINC000826264213 1428791749 /nfs/dbraw/zinc/79/17/49/1428791749.db2.gz GBYWITLVGRRVSG-KGLIPLIRSA-N -1 3 382.468 3.371 20 0 GGADHM CN1CCN(c2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2)CC1 ZINC000121741474 1414242743 /nfs/dbraw/zinc/24/27/43/1414242743.db2.gz XITALDUNTKIERE-UHFFFAOYSA-N -1 3 390.281 3.159 20 0 GGADHM CCOc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ncn1 ZINC000121753358 1414246919 /nfs/dbraw/zinc/24/69/19/1414246919.db2.gz RLHWVSCYWLJDRA-UHFFFAOYSA-N -1 3 376.844 3.089 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Br)nc3)c[n-]c12 ZINC000121805719 1414263197 /nfs/dbraw/zinc/26/31/97/1414263197.db2.gz CYRDNAZVBDZJTQ-UHFFFAOYSA-N -1 3 376.185 3.385 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Cl)cc1F ZINC000121815452 1414266473 /nfs/dbraw/zinc/26/64/73/1414266473.db2.gz QAYWUJNZBPXGTL-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cccc1C(N)=O ZINC000121822147 1414269685 /nfs/dbraw/zinc/26/96/85/1414269685.db2.gz YLOUAQSFMOWLNZ-UHFFFAOYSA-N -1 3 396.468 3.474 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000121883761 1414290165 /nfs/dbraw/zinc/29/01/65/1414290165.db2.gz LDTPREJHSCIMAE-HZPDHXFCSA-N -1 3 390.505 3.418 20 0 GGADHM CC(=O)c1csc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 ZINC000121898102 1414298045 /nfs/dbraw/zinc/29/80/45/1414298045.db2.gz IDPXGAYOXRLETQ-UHFFFAOYSA-N -1 3 399.329 3.337 20 0 GGADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C)o1 ZINC000121918110 1414306519 /nfs/dbraw/zinc/30/65/19/1414306519.db2.gz IPWNNEFFQIHKOD-HNNXBMFYSA-N -1 3 378.277 3.389 20 0 GGADHM CC(C)[C@H]1CCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820038213 1428797626 /nfs/dbraw/zinc/79/76/26/1428797626.db2.gz LUAQOXXYLFXFBJ-ZDUSSCGKSA-N -1 3 388.541 3.114 20 0 GGADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000122040949 1414346292 /nfs/dbraw/zinc/34/62/92/1414346292.db2.gz YHUIUBKOTMWCPN-UHFFFAOYSA-N -1 3 379.432 3.164 20 0 GGADHM Cc1nc(C)c(CC(=O)NC2(c3ccc(F)cc3F)CCCCC2)c(=O)[n-]1 ZINC000122062640 1414352764 /nfs/dbraw/zinc/35/27/64/1414352764.db2.gz HRZODVOQMQKWKH-UHFFFAOYSA-N -1 3 375.419 3.183 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c(=O)[n-]1 ZINC000122188601 1414383125 /nfs/dbraw/zinc/38/31/25/1414383125.db2.gz DSFWWORFDZEGJG-NRFANRHFSA-N -1 3 379.435 3.364 20 0 GGADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000177597278 1428806451 /nfs/dbraw/zinc/80/64/51/1428806451.db2.gz VKZOTNKAFNOHLQ-HXUWFJFHSA-N -1 3 390.439 3.070 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)c(=O)[n-]1 ZINC000122272474 1414407491 /nfs/dbraw/zinc/40/74/91/1414407491.db2.gz ZNZCFUNWKAPGKI-HNNXBMFYSA-N -1 3 385.508 3.244 20 0 GGADHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OCC(F)(F)F ZINC000122305196 1414418415 /nfs/dbraw/zinc/41/84/15/1414418415.db2.gz ZTGVFYXTWNNLSN-NTEUORMPSA-N -1 3 392.333 3.359 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000122399787 1414447156 /nfs/dbraw/zinc/44/71/56/1414447156.db2.gz YLBNRLRDIBZGJD-LLVKDONJSA-N -1 3 382.445 3.360 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1OCC(F)(F)F ZINC000122448918 1414463618 /nfs/dbraw/zinc/46/36/18/1414463618.db2.gz KIYCRUQTSPSFJI-UHFFFAOYSA-N -1 3 383.370 3.208 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000122687762 1414538713 /nfs/dbraw/zinc/53/87/13/1414538713.db2.gz ZTNPURZLJFFHLL-HUUCEWRRSA-N -1 3 384.398 3.045 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)o1 ZINC000177640202 1428819912 /nfs/dbraw/zinc/81/99/12/1428819912.db2.gz OWEMZZRNCXMMQE-VIFPVBQESA-N -1 3 390.383 3.006 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2Cl)ccc1F ZINC000123128906 1414648750 /nfs/dbraw/zinc/64/87/50/1414648750.db2.gz RPJUJHQQNWGJSO-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000123144812 1414652929 /nfs/dbraw/zinc/65/29/29/1414652929.db2.gz YCMFBUFOCAJRBT-FQEVSTJZSA-N -1 3 394.427 3.320 20 0 GGADHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000123430520 1414729514 /nfs/dbraw/zinc/72/95/14/1414729514.db2.gz FCYAVVRHXAFMBX-LBPRGKRZSA-N -1 3 397.406 3.201 20 0 GGADHM CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc21 ZINC000823972722 1428831639 /nfs/dbraw/zinc/83/16/39/1428831639.db2.gz FUGOIOVTUTZDKC-SGTLLEGYSA-N -1 3 380.427 3.154 20 0 GGADHM CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc21 ZINC000823972722 1428831640 /nfs/dbraw/zinc/83/16/40/1428831640.db2.gz FUGOIOVTUTZDKC-SGTLLEGYSA-N -1 3 380.427 3.154 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)c1F ZINC000177692050 1428834292 /nfs/dbraw/zinc/83/42/92/1428834292.db2.gz NTISANGVFABSKE-GFCCVEGCSA-N -1 3 383.416 3.051 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)c1F ZINC000177695867 1428835259 /nfs/dbraw/zinc/83/52/59/1428835259.db2.gz MRGALKLSTGCRLW-UHFFFAOYSA-N -1 3 383.416 3.008 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1 ZINC000123602545 1414791059 /nfs/dbraw/zinc/79/10/59/1414791059.db2.gz MQUPZEUZUXCMSW-KRWDZBQOSA-N -1 3 384.407 3.367 20 0 GGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000177700022 1428836930 /nfs/dbraw/zinc/83/69/30/1428836930.db2.gz WRYSOFVIMPTRCC-CYBMUJFWSA-N -1 3 383.416 3.051 20 0 GGADHM CN(C)c1ccccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000123652445 1414804363 /nfs/dbraw/zinc/80/43/63/1414804363.db2.gz XHZXLZINPFHVAA-UHFFFAOYSA-N -1 3 377.473 3.467 20 0 GGADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cn(Cc2cccc(F)c2)nn1 ZINC000123742805 1414818978 /nfs/dbraw/zinc/81/89/78/1414818978.db2.gz HMDPPRVRJPFGAU-UHFFFAOYSA-N -1 3 380.408 3.236 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000123832203 1414831509 /nfs/dbraw/zinc/83/15/09/1414831509.db2.gz MCOYSBWTSKMKER-OTYXRUKQSA-N -1 3 393.267 3.318 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1noc(-c2ccccc2)n1 ZINC000177713514 1428840752 /nfs/dbraw/zinc/84/07/52/1428840752.db2.gz DNWXCEFWMHEQCB-ZDUSSCGKSA-N -1 3 380.429 3.324 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(C)o1 ZINC000177735940 1428845467 /nfs/dbraw/zinc/84/54/67/1428845467.db2.gz OUYIRXVABNFKTC-UHFFFAOYSA-N -1 3 384.457 3.339 20 0 GGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000123886922 1414843122 /nfs/dbraw/zinc/84/31/22/1414843122.db2.gz DJXXAGPRGQXWDA-HZMBPMFUSA-N -1 3 375.824 3.409 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)c1F ZINC000177719922 1428841790 /nfs/dbraw/zinc/84/17/90/1428841790.db2.gz NYPKFVMBDHPUOW-GFCCVEGCSA-N -1 3 383.416 3.142 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)c1F ZINC000177726376 1428843452 /nfs/dbraw/zinc/84/34/52/1428843452.db2.gz XDCDURCPPZBTFE-VXGBXAGGSA-N -1 3 383.416 3.222 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](O)c1ccccc1F ZINC000124054892 1414877124 /nfs/dbraw/zinc/87/71/24/1414877124.db2.gz NILXNGHWSRLBAG-GOEBONIOSA-N -1 3 375.824 3.409 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H](O)c1ccccc1F ZINC000124055659 1414877626 /nfs/dbraw/zinc/87/76/26/1414877626.db2.gz NILXNGHWSRLBAG-ZBFHGGJFSA-N -1 3 375.824 3.409 20 0 GGADHM O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124064180 1414878586 /nfs/dbraw/zinc/87/85/86/1414878586.db2.gz DMDCHXKXIDZFOL-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM O=C(Nc1ccc(Cl)cc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124071522 1414880528 /nfs/dbraw/zinc/88/05/28/1414880528.db2.gz BCCIPEVQSGJZGF-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM O=C(Nc1cccc(CNCc2ccc(-c3nn[n-]n3)s2)c1)c1ccccc1 ZINC000823363990 1428844786 /nfs/dbraw/zinc/84/47/86/1428844786.db2.gz UMPYGOOWJURDHR-UHFFFAOYSA-N -1 3 390.472 3.470 20 0 GGADHM O=C(Nc1cccc(CNCc2ccc(-c3nnn[n-]3)s2)c1)c1ccccc1 ZINC000823363990 1428844788 /nfs/dbraw/zinc/84/47/88/1428844788.db2.gz UMPYGOOWJURDHR-UHFFFAOYSA-N -1 3 390.472 3.470 20 0 GGADHM CCCN1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000124240835 1414917306 /nfs/dbraw/zinc/91/73/06/1414917306.db2.gz OTHQBBODZGQLHJ-LJQANCHMSA-N -1 3 387.505 3.300 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000177745086 1428848229 /nfs/dbraw/zinc/84/82/29/1428848229.db2.gz BCEQHEKXZMVZQL-UHFFFAOYSA-N -1 3 394.393 3.291 20 0 GGADHM Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cnn1CCC(C)C ZINC000124437805 1414968191 /nfs/dbraw/zinc/96/81/91/1414968191.db2.gz YZQAHSRNQKYHGY-SFHVURJKSA-N -1 3 384.480 3.187 20 0 GGADHM Cc1cc(F)cc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c1 ZINC000124463086 1414974313 /nfs/dbraw/zinc/97/43/13/1414974313.db2.gz MQCWFYZTPIEURO-UHFFFAOYSA-N -1 3 384.379 3.105 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(F)c2)nc1Cl ZINC000124599244 1415002621 /nfs/dbraw/zinc/00/26/21/1415002621.db2.gz XWLANGMECSDRRQ-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(CCc2ccc(F)cc2)C2CCCC2)c(=O)[n-]1 ZINC000124759383 1415038031 /nfs/dbraw/zinc/03/80/31/1415038031.db2.gz OXEVFVOSDDGFAH-UHFFFAOYSA-N -1 3 385.483 3.472 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C)c([O-])c1 ZINC000124790646 1415044402 /nfs/dbraw/zinc/04/44/02/1415044402.db2.gz KCQLXHZITXRLJA-UHFFFAOYSA-N -1 3 383.379 3.454 20 0 GGADHM Cc1nc(=NCC(=O)Nc2ncccc2[O-])c2cc(-c3ccccc3)sc2[nH]1 ZINC000124927746 1415074507 /nfs/dbraw/zinc/07/45/07/1415074507.db2.gz MYFYEZFOSPWMNV-UHFFFAOYSA-N -1 3 391.456 3.240 20 0 GGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000124985553 1415086644 /nfs/dbraw/zinc/08/66/44/1415086644.db2.gz LIQDEKZCANBYKX-UHFFFAOYSA-N -1 3 379.457 3.430 20 0 GGADHM Cc1ccc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c([O-])c1C ZINC000125047187 1415099046 /nfs/dbraw/zinc/09/90/46/1415099046.db2.gz JSUDZHANFLBWIM-UHFFFAOYSA-N -1 3 388.427 3.119 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3C3CCCC3)nc(=O)c2c1C ZINC000125099923 1415108628 /nfs/dbraw/zinc/10/86/28/1415108628.db2.gz LZLBLCMQSGJRMG-CYBMUJFWSA-N -1 3 375.494 3.234 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3C3CCCC3)nc(=O)c2c1C ZINC000125100137 1415108754 /nfs/dbraw/zinc/10/87/54/1415108754.db2.gz LZLBLCMQSGJRMG-ZDUSSCGKSA-N -1 3 375.494 3.234 20 0 GGADHM CCOc1ccc(C(=O)NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000125294707 1415156154 /nfs/dbraw/zinc/15/61/54/1415156154.db2.gz MVCAZCRIOQKWQL-UHFFFAOYSA-N -1 3 382.338 3.178 20 0 GGADHM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125319547 1415163275 /nfs/dbraw/zinc/16/32/75/1415163275.db2.gz AKRXCDALECNNOW-UHFFFAOYSA-N -1 3 389.333 3.273 20 0 GGADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)n1nnc(-c2ccccc2)n1 ZINC000125341749 1415168905 /nfs/dbraw/zinc/16/89/05/1415168905.db2.gz RESHMDKNOAWKGI-JTQLQIEISA-N -1 3 377.326 3.264 20 0 GGADHM CC1(C)CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCN1Cc1ccccc1 ZINC000736215012 1428872092 /nfs/dbraw/zinc/87/20/92/1428872092.db2.gz ZMUBOGGEVHMBJY-UHFFFAOYSA-N -1 3 380.471 3.102 20 0 GGADHM CC1(C)CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCN1Cc1ccccc1 ZINC000736215012 1428872099 /nfs/dbraw/zinc/87/20/99/1428872099.db2.gz ZMUBOGGEVHMBJY-UHFFFAOYSA-N -1 3 380.471 3.102 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000125383936 1415182458 /nfs/dbraw/zinc/18/24/58/1415182458.db2.gz GDDNQFBMBCSLHY-KRWDZBQOSA-N -1 3 380.366 3.251 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000125384193 1415182697 /nfs/dbraw/zinc/18/26/97/1415182697.db2.gz GDDNQFBMBCSLHY-QGZVFWFLSA-N -1 3 380.366 3.251 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccccc3F)s2)c(=O)[n-]1 ZINC000125387247 1415183765 /nfs/dbraw/zinc/18/37/65/1415183765.db2.gz XBAQNYVSYTZDDW-UHFFFAOYSA-N -1 3 386.452 3.144 20 0 GGADHM Cc1nc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)oc1-c1ccc(Cl)cc1 ZINC000125418384 1415191981 /nfs/dbraw/zinc/19/19/81/1415191981.db2.gz UHKOFSLTYJDVJA-UHFFFAOYSA-N -1 3 395.802 3.117 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1cnc(Cl)c(Cl)c1 ZINC000125450964 1415202905 /nfs/dbraw/zinc/20/29/05/1415202905.db2.gz BRBAEDRIZJQIIA-UHFFFAOYSA-N -1 3 389.260 3.028 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125582045 1415231406 /nfs/dbraw/zinc/23/14/06/1415231406.db2.gz UCUZYPBPFHQERJ-UHFFFAOYSA-N -1 3 380.366 3.075 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000177921583 1428892042 /nfs/dbraw/zinc/89/20/42/1428892042.db2.gz GVYFBRYCLDEJHB-LSDHHAIUSA-N -1 3 387.459 3.224 20 0 GGADHM CCN(CC)CC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125686876 1415254561 /nfs/dbraw/zinc/25/45/61/1415254561.db2.gz OIPGNRMPTKORTE-AWEZNQCLSA-N -1 3 395.550 3.068 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000125712337 1415259812 /nfs/dbraw/zinc/25/98/12/1415259812.db2.gz GCFNPNJZXPGDDV-GFCCVEGCSA-N -1 3 399.438 3.003 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000125725731 1415263053 /nfs/dbraw/zinc/26/30/53/1415263053.db2.gz NWWWBKOEMBPRDB-UHFFFAOYSA-N -1 3 397.504 3.419 20 0 GGADHM CC(C)N(C)CC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125729856 1415264093 /nfs/dbraw/zinc/26/40/93/1415264093.db2.gz DEBPCADGXSKYTK-AWEZNQCLSA-N -1 3 395.550 3.066 20 0 GGADHM CC(C)N(C)CC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125730111 1415264787 /nfs/dbraw/zinc/26/47/87/1415264787.db2.gz DEBPCADGXSKYTK-CQSZACIVSA-N -1 3 395.550 3.066 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000125751960 1415270226 /nfs/dbraw/zinc/27/02/26/1415270226.db2.gz GDCPLBMBVFYQIR-UHFFFAOYSA-N -1 3 390.443 3.210 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)c2cc(C)n([C@H](C)COC)c2C)n1 ZINC000125754569 1415270725 /nfs/dbraw/zinc/27/07/25/1415270725.db2.gz NDOATSWMJGEBBI-CYBMUJFWSA-N -1 3 377.510 3.486 20 0 GGADHM CCc1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)[nH]1 ZINC000125783261 1415280017 /nfs/dbraw/zinc/28/00/17/1415280017.db2.gz CGRRORKKGMGSLQ-UHFFFAOYSA-N -1 3 399.476 3.037 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000125827910 1415291917 /nfs/dbraw/zinc/29/19/17/1415291917.db2.gz MEMMUOVQNNOVMN-BBATYDOGSA-N -1 3 395.427 3.353 20 0 GGADHM Cc1cscc1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000125850088 1415296288 /nfs/dbraw/zinc/29/62/88/1415296288.db2.gz FUWWXCZHYYQWCU-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1cc(C)n(-c2ccccc2C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000125932825 1415316387 /nfs/dbraw/zinc/31/63/87/1415316387.db2.gz KSIWZDGGKMJKRR-UHFFFAOYSA-N -1 3 377.416 3.246 20 0 GGADHM CCC(CC)CS(=O)(=O)[N-]C1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000126116267 1415362249 /nfs/dbraw/zinc/36/22/49/1415362249.db2.gz NWQSDKVRTLDKAL-MRXNPFEDSA-N -1 3 399.557 3.479 20 0 GGADHM Cc1cnc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000177935160 1428894994 /nfs/dbraw/zinc/89/49/94/1428894994.db2.gz OPNDJKHNTVYVLI-NSHDSACASA-N -1 3 399.513 3.158 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126127297 1415365057 /nfs/dbraw/zinc/36/50/57/1415365057.db2.gz RQHNNRVNECLJEU-IINYFYTJSA-N -1 3 383.242 3.059 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)[N-]OC(C)(C)C)C1 ZINC000126161260 1415373286 /nfs/dbraw/zinc/37/32/86/1415373286.db2.gz ZTMHMWBUGOSUGG-CYBMUJFWSA-N -1 3 397.313 3.456 20 0 GGADHM O=C(NCC[C@H](O)c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000126229854 1415389431 /nfs/dbraw/zinc/38/94/31/1415389431.db2.gz BANDPYPPUDWLDZ-HNNXBMFYSA-N -1 3 379.254 3.078 20 0 GGADHM CC1CCC(N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CC2)CC1 ZINC000820690835 1428911709 /nfs/dbraw/zinc/91/17/09/1428911709.db2.gz SPYZEFUQLWZNNL-UHFFFAOYSA-N -1 3 379.468 3.460 20 0 GGADHM CC1CCC(N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)CC1 ZINC000820690835 1428911713 /nfs/dbraw/zinc/91/17/13/1428911713.db2.gz SPYZEFUQLWZNNL-UHFFFAOYSA-N -1 3 379.468 3.460 20 0 GGADHM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126299486 1415410800 /nfs/dbraw/zinc/41/08/00/1415410800.db2.gz AUYJGNHQRJQYRI-SJKOYZFVSA-N -1 3 393.281 3.466 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1F ZINC000126484087 1415467321 /nfs/dbraw/zinc/46/73/21/1415467321.db2.gz PXFHIZZNWQEKDC-UHFFFAOYSA-N -1 3 382.388 3.004 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])C1=NN(c2ccccc2)C(=O)CC1 ZINC000126547186 1415486542 /nfs/dbraw/zinc/48/65/42/1415486542.db2.gz ACUGNWCKYRFERU-UHFFFAOYSA-N -1 3 388.221 3.276 20 0 GGADHM O=C(CNC(=O)OCc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000126620912 1415508896 /nfs/dbraw/zinc/50/88/96/1415508896.db2.gz QBTSMIJANWKZFZ-UHFFFAOYSA-N -1 3 379.210 3.020 20 0 GGADHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC000126628846 1415511297 /nfs/dbraw/zinc/51/12/97/1415511297.db2.gz VATOCQWSBLWCFW-UHFFFAOYSA-N -1 3 393.428 3.386 20 0 GGADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCc2ccccc21 ZINC000178021384 1428940731 /nfs/dbraw/zinc/94/07/31/1428940731.db2.gz FRUWKDBLNRKGLZ-LBPRGKRZSA-N -1 3 375.266 3.222 20 0 GGADHM Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[nH]1 ZINC000178024301 1428942217 /nfs/dbraw/zinc/94/22/17/1428942217.db2.gz OBZCLLYSISNNTD-UHFFFAOYSA-N -1 3 375.856 3.481 20 0 GGADHM C[C@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820432078 1428946284 /nfs/dbraw/zinc/94/62/84/1428946284.db2.gz LZUXTVZPCBXBJC-ZDUSSCGKSA-N -1 3 395.467 3.460 20 0 GGADHM C[C@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820432078 1428946288 /nfs/dbraw/zinc/94/62/88/1428946288.db2.gz LZUXTVZPCBXBJC-ZDUSSCGKSA-N -1 3 395.467 3.460 20 0 GGADHM C[C@H](O)c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178040263 1428951896 /nfs/dbraw/zinc/95/18/96/1428951896.db2.gz ZGGPNBAEDPUZRT-NSHDSACASA-N -1 3 379.254 3.207 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(Br)c3)c2)n1 ZINC000126904998 1415601108 /nfs/dbraw/zinc/60/11/08/1415601108.db2.gz MHXNFVFKICLXDT-UHFFFAOYSA-N -1 3 399.248 3.409 20 0 GGADHM CCCN(C(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178055718 1428958935 /nfs/dbraw/zinc/95/89/35/1428958935.db2.gz VGNAVHIAFSSHEU-OAHLLOKOSA-N -1 3 399.491 3.390 20 0 GGADHM CN(Cc1ccc(CO)o1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127185535 1415680980 /nfs/dbraw/zinc/68/09/80/1415680980.db2.gz ARIIPXZPXUYBSX-UHFFFAOYSA-N -1 3 386.473 3.205 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)cc1 ZINC000127317889 1415734009 /nfs/dbraw/zinc/73/40/09/1415734009.db2.gz BURPHYOSICJGER-UHFFFAOYSA-N -1 3 392.546 3.353 20 0 GGADHM Cc1ccc([C@H](CNc2snc(Cl)c2-c2nn[n-]n2)N2CCCC2)o1 ZINC000737319581 1428983351 /nfs/dbraw/zinc/98/33/51/1428983351.db2.gz HROFLDSZCMZKQW-JTQLQIEISA-N -1 3 379.877 3.127 20 0 GGADHM Cc1cc(C)cc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822196786 1428985977 /nfs/dbraw/zinc/98/59/77/1428985977.db2.gz XBRGVRFKEHWJBD-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cc(C)cc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822196786 1428985982 /nfs/dbraw/zinc/98/59/82/1428985982.db2.gz XBRGVRFKEHWJBD-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000178131491 1428993806 /nfs/dbraw/zinc/99/38/06/1428993806.db2.gz VECZTKDDBGMBCS-UHFFFAOYSA-N -1 3 384.407 3.487 20 0 GGADHM CC[C@@H](C)C(=O)Nc1cccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000127470093 1415792112 /nfs/dbraw/zinc/79/21/12/1415792112.db2.gz LKOKWUPFIGUOGX-NFECSFHCSA-N -1 3 377.444 3.072 20 0 GGADHM CCCc1csc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000127494046 1415800798 /nfs/dbraw/zinc/80/07/98/1415800798.db2.gz IBBAQDDBESTJBO-UHFFFAOYSA-N -1 3 385.486 3.174 20 0 GGADHM O=C1[N-]C(=O)/C(=C/NCc2ccc(OCc3ccccn3)cc2)c2ccccc21 ZINC000127519322 1415804080 /nfs/dbraw/zinc/80/40/80/1415804080.db2.gz RFVRVDDCCOESDC-KGENOOAVSA-N -1 3 385.423 3.061 20 0 GGADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000127549219 1415808166 /nfs/dbraw/zinc/80/81/66/1415808166.db2.gz UCBUSUIRAFTKEK-AWEZNQCLSA-N -1 3 390.848 3.013 20 0 GGADHM COC(=O)c1cc(C)nc2nc(S[C@@H]3CCc4ccccc4C3)[n-]c(=O)c12 ZINC000127565898 1415811134 /nfs/dbraw/zinc/81/11/34/1415811134.db2.gz JAZKARFEXPNOAL-CQSZACIVSA-N -1 3 381.457 3.063 20 0 GGADHM O=C1[N-]C(=O)/C(=C/NCc2ccccc2OCC(F)(F)F)c2ccccc21 ZINC000127568857 1415811549 /nfs/dbraw/zinc/81/15/49/1415811549.db2.gz FPNKHAGVTXBCDY-XNTDXEJSSA-N -1 3 376.334 3.028 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000127589234 1415814973 /nfs/dbraw/zinc/81/49/73/1415814973.db2.gz IXEUCWQCAPDZJD-UHFFFAOYSA-N -1 3 391.471 3.215 20 0 GGADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000127596112 1415816210 /nfs/dbraw/zinc/81/62/10/1415816210.db2.gz PJSZBZKAXNZBKW-GOSISDBHSA-N -1 3 395.846 3.420 20 0 GGADHM O=C(c1ccccc1[O-])N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000127620307 1415821522 /nfs/dbraw/zinc/82/15/22/1415821522.db2.gz FXFFIVOOODMHRO-GFCCVEGCSA-N -1 3 390.365 3.474 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)O[N-]C(=O)Cc1ccc(C)cc1 ZINC000178160343 1429003274 /nfs/dbraw/zinc/00/32/74/1429003274.db2.gz ZRABPJZTVQSSFT-ZDUSSCGKSA-N -1 3 376.840 3.275 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(OCCc3ccccc3)CC2)c1 ZINC000127686246 1415833088 /nfs/dbraw/zinc/83/30/88/1415833088.db2.gz JWGLGUOJLYEBHB-UHFFFAOYSA-N -1 3 382.460 3.215 20 0 GGADHM COc1ccc(CN(Cc2cccc(-c3nn[n-]n3)c2F)[C@H](CO)C(C)C)cc1 ZINC000826193932 1429006650 /nfs/dbraw/zinc/00/66/50/1429006650.db2.gz VCFYVKMQJQSJBP-LJQANCHMSA-N -1 3 399.470 3.034 20 0 GGADHM COc1ccc(CN(Cc2cccc(-c3nnn[n-]3)c2F)[C@H](CO)C(C)C)cc1 ZINC000826193932 1429006655 /nfs/dbraw/zinc/00/66/55/1429006655.db2.gz VCFYVKMQJQSJBP-LJQANCHMSA-N -1 3 399.470 3.034 20 0 GGADHM CCn1c(=O)c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2[n-]c1=S ZINC000127780576 1415849476 /nfs/dbraw/zinc/84/94/76/1415849476.db2.gz LASXVWIFSKPIJJ-UHFFFAOYSA-N -1 3 382.489 3.019 20 0 GGADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCCc1ccc(F)cc1 ZINC000178175128 1429007542 /nfs/dbraw/zinc/00/75/42/1429007542.db2.gz VJCOYRCHGJWPDC-MRXNPFEDSA-N -1 3 394.446 3.317 20 0 GGADHM Cc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1C ZINC000127888742 1415870191 /nfs/dbraw/zinc/87/01/91/1415870191.db2.gz ZSLJIRROVTWEPY-UHFFFAOYSA-N -1 3 396.398 3.357 20 0 GGADHM Cc1ccc(-n2ccnc2SCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000127888742 1415870194 /nfs/dbraw/zinc/87/01/94/1415870194.db2.gz ZSLJIRROVTWEPY-UHFFFAOYSA-N -1 3 396.398 3.357 20 0 GGADHM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000128054380 1415902079 /nfs/dbraw/zinc/90/20/79/1415902079.db2.gz YNZVVLJZMRQWHS-UHFFFAOYSA-N -1 3 381.436 3.121 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000128079797 1415907071 /nfs/dbraw/zinc/90/70/71/1415907071.db2.gz PYPUPHFTCYHUQV-ROUUACIJSA-N -1 3 384.863 3.134 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000128088660 1415909614 /nfs/dbraw/zinc/90/96/14/1415909614.db2.gz YQTRODUQHZGHLR-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC(C)(C)C ZINC000128163436 1415928865 /nfs/dbraw/zinc/92/88/65/1415928865.db2.gz ZOEKUMVTJQDDKW-KRWDZBQOSA-N -1 3 392.521 3.411 20 0 GGADHM COc1cc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)cc(OC)c1[O-] ZINC000128215783 1415941452 /nfs/dbraw/zinc/94/14/52/1415941452.db2.gz LPIOGZIPDKFCFL-UHFFFAOYSA-N -1 3 394.830 3.164 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)c(F)cc1F ZINC000128237417 1415945463 /nfs/dbraw/zinc/94/54/63/1415945463.db2.gz UCXZXJUBLUTIEV-LLVKDONJSA-N -1 3 379.388 3.363 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC(C)(C)c2ccccc21 ZINC000128246943 1415947473 /nfs/dbraw/zinc/94/74/73/1415947473.db2.gz IBLNHTGDXMHIBN-OAHLLOKOSA-N -1 3 377.437 3.313 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128285691 1415954940 /nfs/dbraw/zinc/95/49/40/1415954940.db2.gz HGCVVTATQPBTQZ-UHFFFAOYSA-N -1 3 394.468 3.133 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1noc(-c2ccccc2)n1 ZINC000128310882 1415960181 /nfs/dbraw/zinc/96/01/81/1415960181.db2.gz LYMKXHSUGCOGQZ-LLVKDONJSA-N -1 3 395.387 3.378 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnc([C@@H]4CCCO4)s3)c2)n1 ZINC000128529008 1416007150 /nfs/dbraw/zinc/00/71/50/1416007150.db2.gz JFDOXJMBHQQXBG-AWEZNQCLSA-N -1 3 383.429 3.273 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000128709310 1416048382 /nfs/dbraw/zinc/04/83/82/1416048382.db2.gz DDWUPFOZPDFOOR-UHFFFAOYSA-N -1 3 396.415 3.097 20 0 GGADHM CCOC(=O)c1csc(C[N-]C(=O)C(F)(F)c2ccccc2OCC)n1 ZINC000128731335 1416053805 /nfs/dbraw/zinc/05/38/05/1416053805.db2.gz GFGUJWJGBHCJHI-UHFFFAOYSA-N -1 3 384.404 3.127 20 0 GGADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])nnn1-c1ccc(OC(F)F)cc1 ZINC000178326459 1429052580 /nfs/dbraw/zinc/05/25/80/1429052580.db2.gz VLFCLXZHPQIWDF-UHFFFAOYSA-N -1 3 378.310 3.274 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCN3CCc4ccccc43)nc2)n1 ZINC000178329529 1429052864 /nfs/dbraw/zinc/05/28/64/1429052864.db2.gz UIVBKCHRBOGGQB-UHFFFAOYSA-N -1 3 375.476 3.259 20 0 GGADHM Cc1nc(C)c(CC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c(=O)[n-]1 ZINC000128899842 1416096581 /nfs/dbraw/zinc/09/65/81/1416096581.db2.gz PSBHCKPQPAPUDY-UHFFFAOYSA-N -1 3 388.471 3.182 20 0 GGADHM Cc1ccc(-c2nc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cs2)n1C ZINC000129141027 1416155062 /nfs/dbraw/zinc/15/50/62/1416155062.db2.gz ZIPPLKIWPQDWBA-UHFFFAOYSA-N -1 3 390.490 3.081 20 0 GGADHM O=C(Nc1cccc([O-])c1F)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000129147673 1416156285 /nfs/dbraw/zinc/15/62/85/1416156285.db2.gz GVCVVTRMHMBRIW-ATVHPVEESA-N -1 3 377.375 3.336 20 0 GGADHM C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129233390 1416176403 /nfs/dbraw/zinc/17/64/03/1416176403.db2.gz PZSOVCHHMLKLOU-ZDUSSCGKSA-N -1 3 392.452 3.347 20 0 GGADHM CCN(CC)C(=O)CN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825406368 1429075436 /nfs/dbraw/zinc/07/54/36/1429075436.db2.gz LZUGHZZXGSCPOF-OAHLLOKOSA-N -1 3 378.480 3.053 20 0 GGADHM CCN(CC)C(=O)CN[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825406368 1429075441 /nfs/dbraw/zinc/07/54/41/1429075441.db2.gz LZUGHZZXGSCPOF-OAHLLOKOSA-N -1 3 378.480 3.053 20 0 GGADHM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cccc([O-])c1F ZINC000129436230 1416209248 /nfs/dbraw/zinc/20/92/48/1416209248.db2.gz MKFGOBGHZFCYPH-OAHLLOKOSA-N -1 3 376.453 3.330 20 0 GGADHM NC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000129491013 1416217959 /nfs/dbraw/zinc/21/79/59/1416217959.db2.gz BUIVPBINRXDPBE-UHFFFAOYSA-N -1 3 390.424 3.415 20 0 GGADHM COc1ccc(-c2nc(COC(=O)CCc3c(C)nc(C)[n-]c3=O)cs2)cc1 ZINC000129538065 1416224333 /nfs/dbraw/zinc/22/43/33/1416224333.db2.gz KGAXQPOPBYIEMC-UHFFFAOYSA-N -1 3 399.472 3.195 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1ccc2ncc(I)n2c1 ZINC000129596477 1416234398 /nfs/dbraw/zinc/23/43/98/1416234398.db2.gz VHWRMVOHJRWNLH-UHFFFAOYSA-N -1 3 397.147 3.036 20 0 GGADHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc([O-])c2F)ccc1C ZINC000129655879 1416244187 /nfs/dbraw/zinc/24/41/87/1416244187.db2.gz WPDDTFUDXDHHEZ-UHFFFAOYSA-N -1 3 380.441 3.123 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3([C@@H](O)c4ccccc4)CC3)nc2)n1 ZINC000129919140 1416285042 /nfs/dbraw/zinc/28/50/42/1416285042.db2.gz DPNVAPZKYPICEG-FQEVSTJZSA-N -1 3 376.460 3.320 20 0 GGADHM CCn1nc(C(C)C)cc1C(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000130148091 1416327596 /nfs/dbraw/zinc/32/75/96/1416327596.db2.gz AATHMRTUZLGMEV-UHFFFAOYSA-N -1 3 397.248 3.003 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc(OCCc3ccccc3)c2)c(=O)[n-]1 ZINC000130165530 1416330718 /nfs/dbraw/zinc/33/07/18/1416330718.db2.gz LUFFHPAGYSHIFZ-UHFFFAOYSA-N -1 3 377.444 3.189 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)c(C)o1 ZINC000130250082 1416346240 /nfs/dbraw/zinc/34/62/40/1416346240.db2.gz UFFXBKJNIBVPEE-SFHVURJKSA-N -1 3 394.468 3.297 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000178501321 1429091567 /nfs/dbraw/zinc/09/15/67/1429091567.db2.gz VWEZIIXCXKPEJX-UHFFFAOYSA-N -1 3 391.342 3.110 20 0 GGADHM C[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000130504032 1416389997 /nfs/dbraw/zinc/38/99/97/1416389997.db2.gz CTUFQPZGXMVWQG-CYBMUJFWSA-N -1 3 394.393 3.451 20 0 GGADHM C[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000130503849 1416390152 /nfs/dbraw/zinc/39/01/52/1416390152.db2.gz CTUFQPZGXMVWQG-ZDUSSCGKSA-N -1 3 394.393 3.451 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000130515868 1416392267 /nfs/dbraw/zinc/39/22/67/1416392267.db2.gz GXUGEMTVNKUFLV-UHFFFAOYSA-N -1 3 387.244 3.096 20 0 GGADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1nc2ccccc2n1C ZINC000130538730 1416395558 /nfs/dbraw/zinc/39/55/58/1416395558.db2.gz DADRHDBFYIBRRV-NSHDSACASA-N -1 3 391.424 3.002 20 0 GGADHM CN(C)c1ccc(-c2cncc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2)cc1 ZINC000130699962 1416428516 /nfs/dbraw/zinc/42/85/16/1416428516.db2.gz WGBFYGNESZRKJG-UHFFFAOYSA-N -1 3 376.342 3.204 20 0 GGADHM CN(C)c1ccc(-c2cncc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2)cc1 ZINC000130699962 1416428521 /nfs/dbraw/zinc/42/85/21/1416428521.db2.gz WGBFYGNESZRKJG-UHFFFAOYSA-N -1 3 376.342 3.204 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCCC1 ZINC000178525533 1429096704 /nfs/dbraw/zinc/09/67/04/1429096704.db2.gz XYFSFIMUOHANFG-UHFFFAOYSA-N -1 3 395.427 3.499 20 0 GGADHM Cc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c(OCc2ccccc2)c1 ZINC000130912112 1416479970 /nfs/dbraw/zinc/47/99/70/1416479970.db2.gz KRURHYOAFWKSAX-UHFFFAOYSA-N -1 3 377.444 3.455 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000131023012 1416497518 /nfs/dbraw/zinc/49/75/18/1416497518.db2.gz DRCWSRQBQKUICU-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM Cc1ccc(-c2cnc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)o2)cc1 ZINC000131037473 1416499541 /nfs/dbraw/zinc/49/95/41/1416499541.db2.gz WDWHTZGQJFRHBN-UHFFFAOYSA-N -1 3 377.444 3.314 20 0 GGADHM CN(CCC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000131050779 1416501464 /nfs/dbraw/zinc/50/14/64/1416501464.db2.gz ZVBQXSNTXPIKDM-UHFFFAOYSA-N -1 3 376.453 3.499 20 0 GGADHM O=S(=O)(Cc1cccc2cccnc21)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000131096681 1416508266 /nfs/dbraw/zinc/50/82/66/1416508266.db2.gz GWWANAIJWDLBNG-UHFFFAOYSA-N -1 3 396.497 3.373 20 0 GGADHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000131182224 1416520556 /nfs/dbraw/zinc/52/05/56/1416520556.db2.gz IDAOBWHQEJJGHG-AWEZNQCLSA-N -1 3 376.478 3.171 20 0 GGADHM COc1cc(C(=O)NCCCc2nc3c(s2)CCCC3)cc(OC)c1[O-] ZINC000131325768 1416540289 /nfs/dbraw/zinc/54/02/89/1416540289.db2.gz OFJHQOGFVNICMP-UHFFFAOYSA-N -1 3 376.478 3.107 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)c(=O)[n-]1 ZINC000131391035 1416550084 /nfs/dbraw/zinc/55/00/84/1416550084.db2.gz UCAKLSSXOZFPTO-UHFFFAOYSA-N -1 3 376.460 3.204 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)s1 ZINC000131447905 1416559644 /nfs/dbraw/zinc/55/96/44/1416559644.db2.gz KLFWDYAKDCBPJX-UHFFFAOYSA-N -1 3 394.518 3.240 20 0 GGADHM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1c[n-]c2ccccc2c1=O ZINC000131455564 1416560689 /nfs/dbraw/zinc/56/06/89/1416560689.db2.gz FARPSVQAHJLJGR-UHFFFAOYSA-N -1 3 376.334 3.399 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3n[nH]c4c3CCC4)cc2)cc1 ZINC000131567046 1416577179 /nfs/dbraw/zinc/57/71/79/1416577179.db2.gz XCTQPRJIXHAYPR-UHFFFAOYSA-N -1 3 396.472 3.260 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccccc2CC)ccc1OC ZINC000131676092 1416595044 /nfs/dbraw/zinc/59/50/44/1416595044.db2.gz LYVIWSOECUCYOX-UHFFFAOYSA-N -1 3 376.478 3.085 20 0 GGADHM COc1c(Br)cc(Br)cc1C=Cc1nccc(=O)[n-]1 ZINC000131738899 1416608505 /nfs/dbraw/zinc/60/85/05/1416608505.db2.gz NBWWGVZAKMPALU-NSCUHMNNSA-N -1 3 386.043 3.474 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC000178596984 1429117412 /nfs/dbraw/zinc/11/74/12/1429117412.db2.gz DDKQMIUMADGOQR-SNVBAGLBSA-N -1 3 381.668 3.054 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(C)nc2-c2ccccc2)s1 ZINC000178612133 1429121515 /nfs/dbraw/zinc/12/15/15/1429121515.db2.gz VAGWRXFFDOAAFS-UHFFFAOYSA-N -1 3 388.474 3.328 20 0 GGADHM Cc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c(OCCC(C)C)c1 ZINC000132449479 1416763396 /nfs/dbraw/zinc/76/33/96/1416763396.db2.gz QCNUFTHZJANVRK-UHFFFAOYSA-N -1 3 385.508 3.369 20 0 GGADHM CC1CCN(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000132638935 1416798076 /nfs/dbraw/zinc/79/80/76/1416798076.db2.gz OHYLUXJOLFSCPI-UHFFFAOYSA-N -1 3 387.505 3.158 20 0 GGADHM O[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681722 1429130333 /nfs/dbraw/zinc/13/03/33/1429130333.db2.gz JKHQGEVNXDFHAK-SFTDATJTSA-N -1 3 389.434 3.418 20 0 GGADHM O[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681722 1429130336 /nfs/dbraw/zinc/13/03/36/1429130336.db2.gz JKHQGEVNXDFHAK-SFTDATJTSA-N -1 3 389.434 3.418 20 0 GGADHM Cc1cc(C[C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)n(-c2ccccc2)n1 ZINC000132719898 1416807836 /nfs/dbraw/zinc/80/78/36/1416807836.db2.gz HKSLUWPPDSIZLG-CQSZACIVSA-N -1 3 382.439 3.456 20 0 GGADHM CN1C(=O)C[C@H](C(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1cccc(Cl)c1 ZINC000132733223 1416809311 /nfs/dbraw/zinc/80/93/11/1416809311.db2.gz DVALDGPQTDXDQE-KBXCAEBGSA-N -1 3 376.815 3.021 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000132850875 1416823069 /nfs/dbraw/zinc/82/30/69/1416823069.db2.gz MRUFBWDHQSEHOJ-UHFFFAOYSA-N -1 3 380.383 3.188 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000132852168 1416823262 /nfs/dbraw/zinc/82/32/62/1416823262.db2.gz XEQZXSOHSOGMRL-UHFFFAOYSA-N -1 3 396.357 3.270 20 0 GGADHM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3n[n-]c(-c4ccco4)n3)C2)c1 ZINC000132854195 1416823310 /nfs/dbraw/zinc/82/33/10/1416823310.db2.gz MBQWPCDFMFZZFN-OAHLLOKOSA-N -1 3 393.447 3.172 20 0 GGADHM CCOc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000132865049 1416824784 /nfs/dbraw/zinc/82/47/84/1416824784.db2.gz XMNLPPYLHWNWGM-LJQANCHMSA-N -1 3 388.439 3.001 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000132956377 1416835593 /nfs/dbraw/zinc/83/55/93/1416835593.db2.gz AWOGJYJCGTYOJB-UHFFFAOYSA-N -1 3 399.443 3.435 20 0 GGADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cn(Cc2cccc(F)c2)nn1 ZINC000133064835 1416847864 /nfs/dbraw/zinc/84/78/64/1416847864.db2.gz IVRLKHGHQMRTNO-UHFFFAOYSA-N -1 3 386.437 3.298 20 0 GGADHM CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133125615 1416854678 /nfs/dbraw/zinc/85/46/78/1416854678.db2.gz RFZSMNOSPCIMME-IBGZPJMESA-N -1 3 397.450 3.012 20 0 GGADHM COc1ccc(-c2noc(CCCC(=O)NCc3ccc([O-])c(F)c3)n2)cc1 ZINC000133126428 1416854799 /nfs/dbraw/zinc/85/47/99/1416854799.db2.gz LARUKONRBRXLRV-UHFFFAOYSA-N -1 3 385.395 3.229 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000133128422 1416855223 /nfs/dbraw/zinc/85/52/23/1416855223.db2.gz LRBAVAWAOXGUCO-UHFFFAOYSA-N -1 3 386.423 3.196 20 0 GGADHM CC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000133141996 1416856508 /nfs/dbraw/zinc/85/65/08/1416856508.db2.gz SVIPRSLYJZCYAX-HNNXBMFYSA-N -1 3 389.818 3.106 20 0 GGADHM O=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1ccc([O-])c(F)c1 ZINC000133204480 1416864016 /nfs/dbraw/zinc/86/40/16/1416864016.db2.gz KXRKZKHNCZWYAE-UHFFFAOYSA-N -1 3 384.363 3.072 20 0 GGADHM COc1ccc2c(C)c(CCC(=O)NCc3ccc([O-])c(F)c3)c(=O)oc2c1 ZINC000133211932 1416865111 /nfs/dbraw/zinc/86/51/11/1416865111.db2.gz YRBMQEMBTJHZHT-UHFFFAOYSA-N -1 3 385.391 3.204 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000133331476 1416879565 /nfs/dbraw/zinc/87/95/65/1416879565.db2.gz AXQZXKCFORZOMT-UHFFFAOYSA-N -1 3 375.388 3.046 20 0 GGADHM Cc1nc2ccccc2n1CCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000133383366 1416884636 /nfs/dbraw/zinc/88/46/36/1416884636.db2.gz YWEIZAKYCRAUID-UHFFFAOYSA-N -1 3 387.443 3.432 20 0 GGADHM CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000133456097 1416891529 /nfs/dbraw/zinc/89/15/29/1416891529.db2.gz HQGQKFMXKKPYEZ-CQSZACIVSA-N -1 3 394.468 3.090 20 0 GGADHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000178671676 1429134903 /nfs/dbraw/zinc/13/49/03/1429134903.db2.gz YSJOGQJMBJCGAX-CYBMUJFWSA-N -1 3 376.261 3.014 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccccc2CN2CCc3ccccc32)c(=O)[n-]1 ZINC000133687781 1416941351 /nfs/dbraw/zinc/94/13/51/1416941351.db2.gz CYKOTGUMIZUAKF-UHFFFAOYSA-N -1 3 388.471 3.131 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000133777696 1416961665 /nfs/dbraw/zinc/96/16/65/1416961665.db2.gz IKIKVNJGTNKBNJ-AWEZNQCLSA-N -1 3 385.508 3.201 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000134072312 1417017772 /nfs/dbraw/zinc/01/77/72/1417017772.db2.gz ZOTIAWHIIPJYQS-UHFFFAOYSA-N -1 3 388.349 3.129 20 0 GGADHM O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000134126521 1417026120 /nfs/dbraw/zinc/02/61/20/1417026120.db2.gz XFCANLYRUBGJKI-CQSZACIVSA-N -1 3 394.349 3.360 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cccc(F)n2)CC1 ZINC000134150110 1417029888 /nfs/dbraw/zinc/02/98/88/1417029888.db2.gz SETYOIIBIYXDSD-UHFFFAOYSA-N -1 3 392.818 3.462 20 0 GGADHM Cc1ccccc1[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)NC(N)=O ZINC000134155697 1417030791 /nfs/dbraw/zinc/03/07/91/1417030791.db2.gz BGZNDKSNZRCSHM-AWEZNQCLSA-N -1 3 381.354 3.458 20 0 GGADHM C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1=O ZINC000134191733 1417036313 /nfs/dbraw/zinc/03/63/13/1417036313.db2.gz JEAYXWPHWJNSSW-SNVBAGLBSA-N -1 3 380.322 3.164 20 0 GGADHM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134203541 1417037762 /nfs/dbraw/zinc/03/77/62/1417037762.db2.gz XJIJMRWIEGMBIO-SECBINFHSA-N -1 3 392.337 3.044 20 0 GGADHM O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134208091 1417037912 /nfs/dbraw/zinc/03/79/12/1417037912.db2.gz IGAQJZYSKNIILW-UHFFFAOYSA-N -1 3 380.322 3.313 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000134208692 1417038031 /nfs/dbraw/zinc/03/80/31/1417038031.db2.gz GNIMVCRNKSOEFB-UHFFFAOYSA-N -1 3 389.333 3.268 20 0 GGADHM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n[nH]1 ZINC000134221252 1417040124 /nfs/dbraw/zinc/04/01/24/1417040124.db2.gz YIOJKMPHEOAUCY-UHFFFAOYSA-N -1 3 379.342 3.404 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000134223442 1417040553 /nfs/dbraw/zinc/04/05/53/1417040553.db2.gz MJYHFRPKNLUAFB-UHFFFAOYSA-N -1 3 382.338 3.495 20 0 GGADHM CSCC[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000134362731 1417061232 /nfs/dbraw/zinc/06/12/32/1417061232.db2.gz UQRFQRIAZDBSET-LBPRGKRZSA-N -1 3 390.546 3.116 20 0 GGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3F)cc21 ZINC000134460220 1417071618 /nfs/dbraw/zinc/07/16/18/1417071618.db2.gz LIUDMIQOSSGSQH-UHFFFAOYSA-N -1 3 384.379 3.204 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000134486893 1417075914 /nfs/dbraw/zinc/07/59/14/1417075914.db2.gz BZVAUMKFFAWYLV-UHFFFAOYSA-N -1 3 376.412 3.250 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1 ZINC000134689507 1417113012 /nfs/dbraw/zinc/11/30/12/1417113012.db2.gz GJSCCXQZWMDTCC-UHFFFAOYSA-N -1 3 388.445 3.476 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000134775365 1417123689 /nfs/dbraw/zinc/12/36/89/1417123689.db2.gz KFBHZITZTYENQN-GFCCVEGCSA-N -1 3 381.810 3.402 20 0 GGADHM COc1ccccc1-c1nc([N-]C(=O)c2c(C)onc2-c2ccncc2)n[nH]1 ZINC000134958581 1417152380 /nfs/dbraw/zinc/15/23/80/1417152380.db2.gz FGECNQOFDICUMQ-UHFFFAOYSA-N -1 3 376.376 3.091 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cc(F)ccc1Cl ZINC000135009864 1417160465 /nfs/dbraw/zinc/16/04/65/1417160465.db2.gz ZFTCUQKJOOTUEV-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(F)c2)c(F)cc1F ZINC000135013572 1417160902 /nfs/dbraw/zinc/16/09/02/1417160902.db2.gz LDBLVMSVWFXMKJ-CQSZACIVSA-N -1 3 379.787 3.078 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000135019334 1417162214 /nfs/dbraw/zinc/16/22/14/1417162214.db2.gz MIZJWZKHZYIFAW-LBPRGKRZSA-N -1 3 399.658 3.193 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)n[n-]1 ZINC000135170965 1417180493 /nfs/dbraw/zinc/18/04/93/1417180493.db2.gz WQRNPFAYPJJZJE-UHFFFAOYSA-N -1 3 382.395 3.195 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1F ZINC000135195673 1417185745 /nfs/dbraw/zinc/18/57/45/1417185745.db2.gz WYMHIXRBGJSBGW-CPUCHLNUSA-N -1 3 382.501 3.306 20 0 GGADHM Cc1c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cccc1C(F)(F)F ZINC000135211639 1417188646 /nfs/dbraw/zinc/18/86/46/1417188646.db2.gz PFIRYSPHNWAALY-UHFFFAOYSA-N -1 3 381.354 3.271 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3CCC(C)C)nc(=O)c2c1C ZINC000135315827 1417206798 /nfs/dbraw/zinc/20/67/98/1417206798.db2.gz LLWBSAUQEGJMCC-CYBMUJFWSA-N -1 3 377.510 3.480 20 0 GGADHM CCCCCC(C)(C)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135521250 1417232378 /nfs/dbraw/zinc/23/23/78/1417232378.db2.gz SIBFTKCISGIRJE-UHFFFAOYSA-N -1 3 394.534 3.082 20 0 GGADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178781969 1429169214 /nfs/dbraw/zinc/16/92/14/1429169214.db2.gz BUFKHRNCBGFXFV-DTWKUNHWSA-N -1 3 381.306 3.240 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)c1O ZINC000178770004 1429164940 /nfs/dbraw/zinc/16/49/40/1429164940.db2.gz KMPBWZYVXQCEAR-UHFFFAOYSA-N -1 3 394.468 3.477 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000135687021 1417258271 /nfs/dbraw/zinc/25/82/71/1417258271.db2.gz AIYRQYDDNUTCSW-UHFFFAOYSA-N -1 3 392.463 3.092 20 0 GGADHM COc1cc(C(=O)N(C)Cc2c(C)nc3sc(C)cn32)cc(OC)c1[O-] ZINC000135932794 1417279241 /nfs/dbraw/zinc/27/92/41/1417279241.db2.gz YWAIUMVQFCWIKF-UHFFFAOYSA-N -1 3 375.450 3.008 20 0 GGADHM CCN(CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000135960353 1417281486 /nfs/dbraw/zinc/28/14/86/1417281486.db2.gz NFJNEOUTVNFZHE-UHFFFAOYSA-N -1 3 387.505 3.219 20 0 GGADHM CN1CCCc2ccc(S(=O)(=O)[N-]c3ncccc3Br)cc21 ZINC000178797264 1429173338 /nfs/dbraw/zinc/17/33/38/1429173338.db2.gz YUOCBNXADURHOJ-UHFFFAOYSA-N -1 3 382.283 3.027 20 0 GGADHM O=C(Nc1cccc2[nH]cnc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000136250587 1417305057 /nfs/dbraw/zinc/30/50/57/1417305057.db2.gz OBXCVGXXUNBNQS-UHFFFAOYSA-N -1 3 399.407 3.083 20 0 GGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn(Cc4cccs4)nn3)s2)cc1 ZINC000136321368 1417309287 /nfs/dbraw/zinc/30/92/87/1417309287.db2.gz FQMXVXDYNIMXBA-UHFFFAOYSA-N -1 3 398.473 3.167 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000136415782 1417314899 /nfs/dbraw/zinc/31/48/99/1417314899.db2.gz IBULZSFQVXLXSL-GOSISDBHSA-N -1 3 395.286 3.190 20 0 GGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn(-c4ccccc4)nn3)s2)cc1 ZINC000136414086 1417315044 /nfs/dbraw/zinc/31/50/44/1417315044.db2.gz DDTAFNPLHHCUBQ-UHFFFAOYSA-N -1 3 378.417 3.047 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCc2sccc21 ZINC000137373647 1417382780 /nfs/dbraw/zinc/38/27/80/1417382780.db2.gz FNDMIPUUUTWKSU-QGZVFWFLSA-N -1 3 394.500 3.328 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(CCCOc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000820202464 1429183321 /nfs/dbraw/zinc/18/33/21/1429183321.db2.gz IHZZZQJBTPPNKX-INIZCTEOSA-N -1 3 397.483 3.022 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(CCCOc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000820202464 1429183324 /nfs/dbraw/zinc/18/33/24/1429183324.db2.gz IHZZZQJBTPPNKX-INIZCTEOSA-N -1 3 397.483 3.022 20 0 GGADHM CCN(CC)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000141559609 1417544013 /nfs/dbraw/zinc/54/40/13/1417544013.db2.gz FLCNDCWFUFIWFO-UHFFFAOYSA-N -1 3 395.912 3.421 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2sccc2Br)cc1 ZINC000142517647 1417591131 /nfs/dbraw/zinc/59/11/31/1417591131.db2.gz QRSSCNAZWWJILH-UHFFFAOYSA-N -1 3 390.280 3.239 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C=O)[nH]3)cc2)cc1 ZINC000178841766 1429190925 /nfs/dbraw/zinc/19/09/25/1429190925.db2.gz HDBJOJZWECYXKW-UHFFFAOYSA-N -1 3 383.429 3.189 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1sccc1Br ZINC000143126906 1417615121 /nfs/dbraw/zinc/61/51/21/1417615121.db2.gz DQFAAPCBBFFTJB-UHFFFAOYSA-N -1 3 395.278 3.363 20 0 GGADHM CCCCOc1ccc(C(=O)N[N-]C(=O)c2c(O)cccc2Cl)cc1OC ZINC000143712607 1417644412 /nfs/dbraw/zinc/64/44/12/1417644412.db2.gz VKOFCXNBOJVKFQ-UHFFFAOYSA-N -1 3 392.839 3.308 20 0 GGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000144817810 1417672618 /nfs/dbraw/zinc/67/26/18/1417672618.db2.gz CPUPWAXKSIIMTD-JTQLQIEISA-N -1 3 380.429 3.405 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)cc1 ZINC000144960868 1417676764 /nfs/dbraw/zinc/67/67/64/1417676764.db2.gz MHGPUFJTHNUXJI-CQSZACIVSA-N -1 3 392.477 3.250 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000146048087 1417708771 /nfs/dbraw/zinc/70/87/71/1417708771.db2.gz NSTQTDKGZNXOCL-UHFFFAOYSA-N -1 3 385.392 3.379 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000146992531 1417736274 /nfs/dbraw/zinc/73/62/74/1417736274.db2.gz NHPFUMYZCDRNBT-CQSZACIVSA-N -1 3 399.827 3.068 20 0 GGADHM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150846893 1417819460 /nfs/dbraw/zinc/81/94/60/1417819460.db2.gz PBSOYLLOUOTKLC-SFHVURJKSA-N -1 3 394.537 3.368 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1Cl)c1ccco1 ZINC000150848633 1417820063 /nfs/dbraw/zinc/82/00/63/1417820063.db2.gz WICDDRXWSKDQOA-ZDUSSCGKSA-N -1 3 398.868 3.496 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1Cl)c1ccco1 ZINC000150848649 1417820067 /nfs/dbraw/zinc/82/00/67/1417820067.db2.gz WICDDRXWSKDQOA-CYBMUJFWSA-N -1 3 398.868 3.496 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150851016 1417820488 /nfs/dbraw/zinc/82/04/88/1417820488.db2.gz JIJWCEYWZUSVLZ-YJBOKZPZSA-N -1 3 394.537 3.178 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(C(C)C)cs2)ccc1F ZINC000151230602 1417898549 /nfs/dbraw/zinc/89/85/49/1417898549.db2.gz QXAHVGDHKQEXPM-UHFFFAOYSA-N -1 3 399.513 3.022 20 0 GGADHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1NC(=O)NC(C)(C)C ZINC000151286636 1417915744 /nfs/dbraw/zinc/91/57/44/1417915744.db2.gz JDLHGRIWPWGDRQ-UHFFFAOYSA-N -1 3 384.362 3.304 20 0 GGADHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1NC(=O)NC(C)(C)C ZINC000151286636 1417915749 /nfs/dbraw/zinc/91/57/49/1417915749.db2.gz JDLHGRIWPWGDRQ-UHFFFAOYSA-N -1 3 384.362 3.304 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCCC3)n2Cc2ccco2)n1 ZINC000151375782 1417941273 /nfs/dbraw/zinc/94/12/73/1417941273.db2.gz FDKSNRAGIRNKSS-ZDUSSCGKSA-N -1 3 386.481 3.177 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl)c1nccs1 ZINC000151458797 1417980084 /nfs/dbraw/zinc/98/00/84/1417980084.db2.gz DJEXZSODKRBXLW-OAHLLOKOSA-N -1 3 388.898 3.187 20 0 GGADHM CCN(CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)C1CC1 ZINC000151497883 1418004001 /nfs/dbraw/zinc/00/40/01/1418004001.db2.gz XVKKFJXMONUEQL-UHFFFAOYSA-N -1 3 397.497 3.111 20 0 GGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151503873 1418006684 /nfs/dbraw/zinc/00/66/84/1418006684.db2.gz AJPCMJFPUMPCOW-UHFFFAOYSA-N -1 3 381.360 3.093 20 0 GGADHM CC(C)(C)OC(=O)N1CC(CC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151542860 1418019469 /nfs/dbraw/zinc/01/94/69/1418019469.db2.gz JBBGWINCZNMOJB-UHFFFAOYSA-N -1 3 399.285 3.028 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)s1 ZINC000151559610 1418024953 /nfs/dbraw/zinc/02/49/53/1418024953.db2.gz GOUUWIGHUOQVON-NSHDSACASA-N -1 3 392.458 3.229 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1c(Cl)nc2ccccn21 ZINC000151571800 1418028062 /nfs/dbraw/zinc/02/80/62/1418028062.db2.gz BKOGGERZHHNBSE-UHFFFAOYSA-N -1 3 380.629 3.386 20 0 GGADHM CCOc1cccc(CNC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000151629791 1418044905 /nfs/dbraw/zinc/04/49/05/1418044905.db2.gz DUSMWIUBUJJQQW-UHFFFAOYSA-N -1 3 392.455 3.145 20 0 GGADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cccc(C(=O)N2CCCC2)n1 ZINC000151688832 1418061765 /nfs/dbraw/zinc/06/17/65/1418061765.db2.gz KHNWIHVPDHREQR-UHFFFAOYSA-N -1 3 379.445 3.088 20 0 GGADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(OC[C@H]2CCCO2)c1 ZINC000151813266 1418092983 /nfs/dbraw/zinc/09/29/83/1418092983.db2.gz FCSVRZFQHGOPEI-QGZVFWFLSA-N -1 3 388.439 3.397 20 0 GGADHM CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000152058011 1418132638 /nfs/dbraw/zinc/13/26/38/1418132638.db2.gz ZYKDUGQNLPOVEL-FQEVSTJZSA-N -1 3 380.488 3.118 20 0 GGADHM COC(=O)NCc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000152212755 1418174725 /nfs/dbraw/zinc/17/47/25/1418174725.db2.gz VNYSOPUFOCEYRY-UHFFFAOYSA-N -1 3 383.379 3.084 20 0 GGADHM O=C(CCc1nc(-c2ccccn2)no1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152235014 1418180908 /nfs/dbraw/zinc/18/09/08/1418180908.db2.gz LXPTYJYCQSUZKY-UHFFFAOYSA-N -1 3 392.337 3.331 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(N2CCCCCC2)c1 ZINC000152253689 1418185667 /nfs/dbraw/zinc/18/56/67/1418185667.db2.gz RZRBDTCSXXKBBD-UHFFFAOYSA-N -1 3 396.491 3.324 20 0 GGADHM CCc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179022068 1429244284 /nfs/dbraw/zinc/24/42/84/1429244284.db2.gz OSKJJYLOTPNNMD-UHFFFAOYSA-N -1 3 378.428 3.299 20 0 GGADHM C/C(=C\c1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179022088 1429244411 /nfs/dbraw/zinc/24/44/11/1429244411.db2.gz GUSWXSAQECQHGM-CCEZHUSRSA-N -1 3 384.863 3.434 20 0 GGADHM Cc1nc(CSc2ccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)cc2)cs1 ZINC000179045957 1429249066 /nfs/dbraw/zinc/24/90/66/1429249066.db2.gz KWXZICSXLLCVNF-UHFFFAOYSA-N -1 3 398.513 3.026 20 0 GGADHM Cc1nc(CSc2ccccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)cs1 ZINC000179090713 1429259415 /nfs/dbraw/zinc/25/94/15/1429259415.db2.gz PNBJVQBATDAKMC-UHFFFAOYSA-N -1 3 398.513 3.026 20 0 GGADHM O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179091989 1429259697 /nfs/dbraw/zinc/25/96/97/1429259697.db2.gz OFMCCRRJLJPQRY-LJQANCHMSA-N -1 3 395.846 3.128 20 0 GGADHM O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179094885 1429260460 /nfs/dbraw/zinc/26/04/60/1429260460.db2.gz VRIDWJHPUZCEFK-IBGZPJMESA-N -1 3 377.469 3.188 20 0 GGADHM O=C(c1ccccc1SCc1cccs1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179096181 1429261146 /nfs/dbraw/zinc/26/11/46/1429261146.db2.gz LVGPAMIQDWMBIA-UHFFFAOYSA-N -1 3 383.498 3.322 20 0 GGADHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000179132238 1429272055 /nfs/dbraw/zinc/27/20/55/1429272055.db2.gz WOPJKBYIYXUCCA-DGCLKSJQSA-N -1 3 389.304 3.221 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]c2cccn(Cc3ccc(C)cc3)c2=O)s1 ZINC000179172262 1429285338 /nfs/dbraw/zinc/28/53/38/1429285338.db2.gz DAWFGPJLRZRLPS-UHFFFAOYSA-N -1 3 389.502 3.079 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000179184143 1429288677 /nfs/dbraw/zinc/28/86/77/1429288677.db2.gz UOFOTXLXVMZWKS-QGZVFWFLSA-N -1 3 396.365 3.416 20 0 GGADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1nc2ccccn2n1 ZINC000179210149 1429295661 /nfs/dbraw/zinc/29/56/61/1429295661.db2.gz GWKRXNZNAAWOQM-UHFFFAOYSA-N -1 3 383.408 3.465 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@H]1C ZINC000179310160 1429323906 /nfs/dbraw/zinc/32/39/06/1429323906.db2.gz VICGGHQFGXOOGS-KZULUSFZSA-N -1 3 377.437 3.214 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1ccccn1 ZINC000179427279 1429371323 /nfs/dbraw/zinc/37/13/23/1429371323.db2.gz OCSVVTYICFMOAX-QGZVFWFLSA-N -1 3 389.502 3.231 20 0 GGADHM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCCN1Cc1ccccc1 ZINC000820623698 1429380253 /nfs/dbraw/zinc/38/02/53/1429380253.db2.gz WQOWWWINKFMKSJ-IBGZPJMESA-N -1 3 383.477 3.140 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccn2)c1 ZINC000179459330 1429383521 /nfs/dbraw/zinc/38/35/21/1429383521.db2.gz MVUZRWGXJBBHNJ-LBPRGKRZSA-N -1 3 380.404 3.169 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(Cl)ccc1O ZINC000179458818 1429383737 /nfs/dbraw/zinc/38/37/37/1429383737.db2.gz HMGQPGCXJDZILW-UHFFFAOYSA-N -1 3 384.823 3.071 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccnc2)c1 ZINC000179460440 1429383779 /nfs/dbraw/zinc/38/37/79/1429383779.db2.gz YZDDFYKGEKGDSK-GFCCVEGCSA-N -1 3 380.404 3.169 20 0 GGADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1CCO[C@@H]1CCCCO1 ZINC000179458511 1429383816 /nfs/dbraw/zinc/38/38/16/1429383816.db2.gz IAIOPUXRKQPDTL-QGZVFWFLSA-N -1 3 379.844 3.346 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000179464512 1429385086 /nfs/dbraw/zinc/38/50/86/1429385086.db2.gz QNBDHCYSYWHPTG-INIZCTEOSA-N -1 3 395.419 3.031 20 0 GGADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)nn1 ZINC000179550078 1429425060 /nfs/dbraw/zinc/42/50/60/1429425060.db2.gz DQDNTHJIPGTWRX-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc([C@@H](N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262323 1429430316 /nfs/dbraw/zinc/43/03/16/1429430316.db2.gz LTJFLMRRWQVOGY-YJYMSZOUSA-N -1 3 394.454 3.382 20 0 GGADHM Cc1cc([C@@H](N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262323 1429430318 /nfs/dbraw/zinc/43/03/18/1429430318.db2.gz LTJFLMRRWQVOGY-YJYMSZOUSA-N -1 3 394.454 3.382 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(C(=O)c3ccccc3[O-])CC1)CCC2 ZINC000179562634 1429434640 /nfs/dbraw/zinc/43/46/40/1429434640.db2.gz HJRPKXLMZFTNPD-FQEVSTJZSA-N -1 3 393.487 3.246 20 0 GGADHM NC(=O)CN(Cc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179563731 1429435546 /nfs/dbraw/zinc/43/55/46/1429435546.db2.gz WAGAXJWASANYBR-UHFFFAOYSA-N -1 3 376.412 3.312 20 0 GGADHM O=C(Nc1cc(-c2ccccc2)on1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179581992 1429452100 /nfs/dbraw/zinc/45/21/00/1429452100.db2.gz ZDDVKUBIBCYFBF-UHFFFAOYSA-N -1 3 392.415 3.037 20 0 GGADHM C[C@H](NC[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000820420448 1429457982 /nfs/dbraw/zinc/45/79/82/1429457982.db2.gz QZLZPJWUHURFKQ-ZBEGNZNMSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@H](NC[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000820420448 1429457985 /nfs/dbraw/zinc/45/79/85/1429457985.db2.gz QZLZPJWUHURFKQ-ZBEGNZNMSA-N -1 3 388.269 3.013 20 0 GGADHM COc1ccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000826194170 1429473439 /nfs/dbraw/zinc/47/34/39/1429473439.db2.gz CYFPTAUBDWIUIP-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM COc1ccc(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC000826194170 1429473441 /nfs/dbraw/zinc/47/34/41/1429473441.db2.gz CYFPTAUBDWIUIP-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820668328 1429483070 /nfs/dbraw/zinc/48/30/70/1429483070.db2.gz RPYWTGOESSJTTH-KSSFIOAISA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668328 1429483077 /nfs/dbraw/zinc/48/30/77/1429483077.db2.gz RPYWTGOESSJTTH-KSSFIOAISA-N -1 3 387.447 3.295 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000179639020 1429484711 /nfs/dbraw/zinc/48/47/11/1429484711.db2.gz XCPQGZXWSDGAJN-UHFFFAOYSA-N -1 3 398.843 3.222 20 0 GGADHM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000179647792 1429488453 /nfs/dbraw/zinc/48/84/53/1429488453.db2.gz FWQOEJCMWLLFKG-OAHLLOKOSA-N -1 3 377.391 3.277 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179651753 1429489931 /nfs/dbraw/zinc/48/99/31/1429489931.db2.gz WSAZARNKOMUOHX-IERDGZPVSA-N -1 3 393.487 3.183 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000179651948 1429490934 /nfs/dbraw/zinc/49/09/34/1429490934.db2.gz MFHHRVUWSJKCSI-CQSZACIVSA-N -1 3 394.349 3.376 20 0 GGADHM O=S(=O)(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)c1ccc(F)cc1 ZINC000179678100 1429503627 /nfs/dbraw/zinc/50/36/27/1429503627.db2.gz BTQBJMMLECIVAZ-UHFFFAOYSA-N -1 3 398.887 3.128 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000179722295 1429521932 /nfs/dbraw/zinc/52/19/32/1429521932.db2.gz FJKHDTLBXVASKC-UHFFFAOYSA-N -1 3 391.218 3.491 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000152318096 1422071227 /nfs/dbraw/zinc/07/12/27/1422071227.db2.gz JSIOMNLXXOYRDW-UHFFFAOYSA-N -1 3 397.321 3.192 20 0 GGADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000152366521 1422084866 /nfs/dbraw/zinc/08/48/66/1422084866.db2.gz XPLHPOSDMRNPOX-LBPRGKRZSA-N -1 3 390.182 3.389 20 0 GGADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000152393009 1422091339 /nfs/dbraw/zinc/09/13/39/1422091339.db2.gz YEMBEIUMSCIESA-MRVPVSSYSA-N -1 3 379.290 3.390 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000152475303 1422113534 /nfs/dbraw/zinc/11/35/34/1422113534.db2.gz WNTVTUJUXBTQAP-UHFFFAOYSA-N -1 3 381.457 3.297 20 0 GGADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(/C=C/c4ccco4)s3)nn2)c1 ZINC000152587820 1422153922 /nfs/dbraw/zinc/15/39/22/1422153922.db2.gz NWQITJWHMDFPML-BQYQJAHWSA-N -1 3 378.417 3.443 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CSCCS1)c1ccc(Cl)cc1C(F)(F)F ZINC000152659762 1422194209 /nfs/dbraw/zinc/19/42/09/1422194209.db2.gz FEZOWOVZLCAIBZ-SECBINFHSA-N -1 3 391.889 3.486 20 0 GGADHM CC1(C)C[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc21 ZINC000152662276 1422195943 /nfs/dbraw/zinc/19/59/43/1422195943.db2.gz LVLHBZNKRDSXDO-LJQANCHMSA-N -1 3 393.487 3.282 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000152661006 1422196156 /nfs/dbraw/zinc/19/61/56/1422196156.db2.gz JALCFICUZMXYCH-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152668900 1422200926 /nfs/dbraw/zinc/20/09/26/1422200926.db2.gz VYQHDFWJTFHUCZ-IYBDPMFKSA-N -1 3 388.464 3.499 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152681129 1422206875 /nfs/dbraw/zinc/20/68/75/1422206875.db2.gz GLRGJZUOXJODME-IYBDPMFKSA-N -1 3 388.464 3.499 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccco1 ZINC000152729600 1422228004 /nfs/dbraw/zinc/22/80/04/1422228004.db2.gz HHEIJPKPIWMSRW-GOSISDBHSA-N -1 3 375.450 3.134 20 0 GGADHM Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000152749209 1422234932 /nfs/dbraw/zinc/23/49/32/1422234932.db2.gz WMZIWKFUDHSDKQ-GFCCVEGCSA-N -1 3 398.868 3.214 20 0 GGADHM Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000152749313 1422236172 /nfs/dbraw/zinc/23/61/72/1422236172.db2.gz WMZIWKFUDHSDKQ-LBPRGKRZSA-N -1 3 398.868 3.214 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179759223 1429544310 /nfs/dbraw/zinc/54/43/10/1429544310.db2.gz JKCHASQEUBABTH-UHFFFAOYSA-N -1 3 394.402 3.365 20 0 GGADHM O=C(/C=C/c1cccc(O)c1)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000152900305 1422289116 /nfs/dbraw/zinc/28/91/16/1422289116.db2.gz IXUSAHGYSVTNOY-QPJJXVBHSA-N -1 3 395.640 3.283 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)c(C)o1 ZINC000152971481 1422312224 /nfs/dbraw/zinc/31/22/24/1422312224.db2.gz QHUOEDZGESAHGU-UHFFFAOYSA-N -1 3 389.433 3.020 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCOC[C@H]4C)cc3)c[n-]c12 ZINC000152983722 1422316393 /nfs/dbraw/zinc/31/63/93/1422316393.db2.gz ABCMIXNQWXDMGJ-CQSZACIVSA-N -1 3 395.434 3.453 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3C[C@@H]4CCC[C@@H]4C3)nc(=O)c2c1C ZINC000153027007 1422331774 /nfs/dbraw/zinc/33/17/74/1422331774.db2.gz JAHJTGPHFGSGFH-UPJWGTAASA-N -1 3 375.494 3.263 20 0 GGADHM C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000153097367 1422355501 /nfs/dbraw/zinc/35/55/01/1422355501.db2.gz GRZGLOHSDLTQQM-IIBYNOLFSA-N -1 3 393.487 3.498 20 0 GGADHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1O ZINC000179768232 1429550229 /nfs/dbraw/zinc/55/02/29/1429550229.db2.gz PLJVUEYVTNHOFD-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM CCC(=O)N(c1ccccc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139850994 1429555747 /nfs/dbraw/zinc/55/57/47/1429555747.db2.gz YHWRSLZFLCFZJE-UHFFFAOYSA-N -1 3 390.491 3.274 20 0 GGADHM CCC(=O)N(c1ccccc1)C1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139850994 1429555754 /nfs/dbraw/zinc/55/57/54/1429555754.db2.gz YHWRSLZFLCFZJE-UHFFFAOYSA-N -1 3 390.491 3.274 20 0 GGADHM Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(OC(C)C)c1 ZINC000153208249 1422393554 /nfs/dbraw/zinc/39/35/54/1422393554.db2.gz OVWOOAJPBXCQKX-IBGZPJMESA-N -1 3 396.487 3.409 20 0 GGADHM Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(OC(C)C)c1 ZINC000153208322 1422394022 /nfs/dbraw/zinc/39/40/22/1422394022.db2.gz OVWOOAJPBXCQKX-LJQANCHMSA-N -1 3 396.487 3.409 20 0 GGADHM CC(C)c1ccc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cn1 ZINC000153422501 1422526493 /nfs/dbraw/zinc/52/64/93/1422526493.db2.gz AFADRYNGKNTGCS-UHFFFAOYSA-N -1 3 380.217 3.181 20 0 GGADHM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1ncn(-c2ccccc2)n1 ZINC000153423335 1422527756 /nfs/dbraw/zinc/52/77/56/1422527756.db2.gz TXTDVWYBQFSNPN-UHFFFAOYSA-N -1 3 381.399 3.458 20 0 GGADHM CC(C)C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000153500959 1422573277 /nfs/dbraw/zinc/57/32/77/1422573277.db2.gz IBCAEOOHNKVPIA-OFQRWUPVSA-N -1 3 390.867 3.350 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1F ZINC000153559599 1422614697 /nfs/dbraw/zinc/61/46/97/1422614697.db2.gz HEEYYUYXCVHQMP-UHFFFAOYSA-N -1 3 380.441 3.124 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820668468 1429572990 /nfs/dbraw/zinc/57/29/90/1429572990.db2.gz SYCMKNUGOSQFCJ-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820668468 1429572993 /nfs/dbraw/zinc/57/29/93/1429572993.db2.gz SYCMKNUGOSQFCJ-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923945 1429575825 /nfs/dbraw/zinc/57/58/25/1429575825.db2.gz ZOXWQWPGIIGSTK-UHFFFAOYSA-N -1 3 378.480 3.454 20 0 GGADHM CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923945 1429575826 /nfs/dbraw/zinc/57/58/26/1429575826.db2.gz ZOXWQWPGIIGSTK-UHFFFAOYSA-N -1 3 378.480 3.454 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1O ZINC000179802838 1429576652 /nfs/dbraw/zinc/57/66/52/1429576652.db2.gz LPDSPEUJAHRTQK-UHFFFAOYSA-N -1 3 398.843 3.186 20 0 GGADHM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C2=O ZINC000153686065 1422702348 /nfs/dbraw/zinc/70/23/48/1422702348.db2.gz VIBCEZBGOXRRHL-JTQLQIEISA-N -1 3 392.333 3.343 20 0 GGADHM COc1ccccc1CNC(=O)[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000153713932 1422716892 /nfs/dbraw/zinc/71/68/92/1422716892.db2.gz QPIOZRBOSJXFNP-INIZCTEOSA-N -1 3 392.455 3.144 20 0 GGADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N1CCc2sccc2C1 ZINC000153720534 1422721410 /nfs/dbraw/zinc/72/14/10/1422721410.db2.gz HEUIFUCKGRFEOV-UHFFFAOYSA-N -1 3 380.469 3.077 20 0 GGADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCCc1ccccc1 ZINC000153723776 1422722133 /nfs/dbraw/zinc/72/21/33/1422722133.db2.gz BMENLCXFKIROTL-QGZVFWFLSA-N -1 3 376.456 3.178 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(CN4CCCCC4)c3)cc12 ZINC000153841225 1422793750 /nfs/dbraw/zinc/79/37/50/1422793750.db2.gz AWFCEQVKBOZXIC-UHFFFAOYSA-N -1 3 399.520 3.063 20 0 GGADHM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1cccc2c1OCCO2 ZINC000153853453 1422798833 /nfs/dbraw/zinc/79/88/33/1422798833.db2.gz CEPPFNXTSJVVRK-UHFFFAOYSA-N -1 3 388.489 3.245 20 0 GGADHM CCc1onc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000153961060 1422817376 /nfs/dbraw/zinc/81/73/76/1422817376.db2.gz POVBNSVZFRAVIF-UHFFFAOYSA-N -1 3 383.445 3.014 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000153985932 1422821172 /nfs/dbraw/zinc/82/11/72/1422821172.db2.gz NPPPGLOIHHIFDZ-OAHLLOKOSA-N -1 3 378.252 3.319 20 0 GGADHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1Cl ZINC000153991990 1422822093 /nfs/dbraw/zinc/82/20/93/1422822093.db2.gz XMHJHSAVVUNHML-CQSZACIVSA-N -1 3 380.275 3.488 20 0 GGADHM O=c1nc(CN2CC[C@@H](Oc3ccncc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000154028343 1422828175 /nfs/dbraw/zinc/82/81/75/1422828175.db2.gz KCJKBJCFLLPUSU-CQSZACIVSA-N -1 3 394.456 3.293 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](O)c3ccccc3)cc2)cc1 ZINC000154033462 1422829245 /nfs/dbraw/zinc/82/92/45/1422829245.db2.gz QZAIQWOCPNKORV-HXUWFJFHSA-N -1 3 396.468 3.468 20 0 GGADHM CCO[C@H](C)c1nc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cs1 ZINC000154262474 1422863476 /nfs/dbraw/zinc/86/34/76/1422863476.db2.gz IBYAPGZFVLRCIF-GFCCVEGCSA-N -1 3 398.554 3.455 20 0 GGADHM CCO[C@H](C)c1nc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cs1 ZINC000154262474 1422863477 /nfs/dbraw/zinc/86/34/77/1422863477.db2.gz IBYAPGZFVLRCIF-GFCCVEGCSA-N -1 3 398.554 3.455 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C4OCCO4)c3)c2)n1 ZINC000154530809 1422906164 /nfs/dbraw/zinc/90/61/64/1422906164.db2.gz HOWNEZNKHRWNLW-UHFFFAOYSA-N -1 3 391.427 3.297 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000154579691 1422942516 /nfs/dbraw/zinc/94/25/16/1422942516.db2.gz QINNKJJDBJPTBY-LJQANCHMSA-N -1 3 392.434 3.186 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccnc2Oc2cccc(C)c2C)c(=O)[n-]1 ZINC000154670790 1422994521 /nfs/dbraw/zinc/99/45/21/1422994521.db2.gz INAGQGSIHWQEEC-UHFFFAOYSA-N -1 3 378.432 3.372 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179859250 1429613753 /nfs/dbraw/zinc/61/37/53/1429613753.db2.gz JDCWXPMXODYNJM-UHFFFAOYSA-N -1 3 398.366 3.263 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCc3nc4ccccc4[nH]3)nc21 ZINC000154871014 1423061809 /nfs/dbraw/zinc/06/18/09/1423061809.db2.gz VSTYMYSNSVBQSG-UHFFFAOYSA-N -1 3 377.404 3.187 20 0 GGADHM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)[N-]OCCC(F)(F)F ZINC000154924719 1423082637 /nfs/dbraw/zinc/08/26/37/1423082637.db2.gz LRHZSEQULSYILM-UHFFFAOYSA-N -1 3 394.349 3.216 20 0 GGADHM O=C([N-]OCCC(F)(F)F)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000154946788 1423088494 /nfs/dbraw/zinc/08/84/94/1423088494.db2.gz YUYTVQIDBOTLQJ-NSHDSACASA-N -1 3 377.338 3.070 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000154959715 1423091664 /nfs/dbraw/zinc/09/16/64/1423091664.db2.gz RHDIWAQTGMGVGN-NRFANRHFSA-N -1 3 391.471 3.004 20 0 GGADHM COc1ccc([C@H](NC(=O)NN=c2ccc(Cl)n[n-]2)C(F)(F)F)cc1 ZINC000154966534 1423093425 /nfs/dbraw/zinc/09/34/25/1423093425.db2.gz VMJHRSXREQVVPT-LBPRGKRZSA-N -1 3 375.738 3.068 20 0 GGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000154965363 1423093449 /nfs/dbraw/zinc/09/34/49/1423093449.db2.gz RIUHJTAGYBLTCQ-OAQYLSRUSA-N -1 3 380.488 3.192 20 0 GGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000154985080 1423099907 /nfs/dbraw/zinc/09/99/07/1423099907.db2.gz MAPGUHRQMZGEQT-HXUWFJFHSA-N -1 3 380.488 3.192 20 0 GGADHM CS(=O)(=O)C[C@@H](NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000154999193 1423105532 /nfs/dbraw/zinc/10/55/32/1423105532.db2.gz OIXPRZWKQPFUSB-OAHLLOKOSA-N -1 3 384.295 3.030 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000155071761 1423145574 /nfs/dbraw/zinc/14/55/74/1423145574.db2.gz DCYGXIJTWWNJNJ-UHFFFAOYSA-N -1 3 398.850 3.374 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(C)cc2)n1 ZINC000179879373 1429621336 /nfs/dbraw/zinc/62/13/36/1429621336.db2.gz ZEVZEGYXCWNZKA-QGZVFWFLSA-N -1 3 388.427 3.459 20 0 GGADHM CC(=O)N1CCc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc21 ZINC000155158411 1423202101 /nfs/dbraw/zinc/20/21/01/1423202101.db2.gz HUDUZHWQTLEFLI-UHFFFAOYSA-N -1 3 379.391 3.137 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(F)cc3)n2)cc1 ZINC000179881844 1429622602 /nfs/dbraw/zinc/62/26/02/1429622602.db2.gz IOMJHEVBKSFHED-SFHVURJKSA-N -1 3 392.390 3.290 20 0 GGADHM C[C@@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824530726 1423275462 /nfs/dbraw/zinc/27/54/62/1423275462.db2.gz MXHHAYHQPRMCIW-BZNIZROVSA-N -1 3 377.370 3.270 20 0 GGADHM C[C@@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824530726 1423275465 /nfs/dbraw/zinc/27/54/65/1423275465.db2.gz MXHHAYHQPRMCIW-BZNIZROVSA-N -1 3 377.370 3.270 20 0 GGADHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179895984 1429629483 /nfs/dbraw/zinc/62/94/83/1429629483.db2.gz UUXDHFGBHBDAAI-JTQLQIEISA-N -1 3 387.976 3.298 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000155274830 1423293228 /nfs/dbraw/zinc/29/32/28/1423293228.db2.gz JVALDJBWHIKKTN-UHFFFAOYSA-N -1 3 380.301 3.061 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)CCCOCCc2ccccc2)[n-]1 ZINC000155300859 1423307634 /nfs/dbraw/zinc/30/76/34/1423307634.db2.gz KPFCHERQOZWLAH-SANMLTNESA-N -1 3 388.411 3.099 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000155354626 1423329884 /nfs/dbraw/zinc/32/98/84/1423329884.db2.gz IETQCPSUBKAZHN-UHFFFAOYSA-N -1 3 394.378 3.226 20 0 GGADHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155443238 1423365494 /nfs/dbraw/zinc/36/54/94/1423365494.db2.gz YPEKERMOMXPELI-UHFFFAOYSA-N -1 3 395.434 3.373 20 0 GGADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000155535219 1423404902 /nfs/dbraw/zinc/40/49/02/1423404902.db2.gz BINWKHFSIAQPHE-UHFFFAOYSA-N -1 3 389.408 3.413 20 0 GGADHM NC(=O)N1CCC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179934074 1429649345 /nfs/dbraw/zinc/64/93/45/1429649345.db2.gz ILRMDKQSPMGFHS-AWEZNQCLSA-N -1 3 382.445 3.151 20 0 GGADHM C[C@H](N[C@@H](CO)c1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824529830 1423471303 /nfs/dbraw/zinc/47/13/03/1423471303.db2.gz HTDOEVFRRWVPBC-ZBEGNZNMSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@H](N[C@@H](CO)c1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824529830 1423471306 /nfs/dbraw/zinc/47/13/06/1423471306.db2.gz HTDOEVFRRWVPBC-ZBEGNZNMSA-N -1 3 388.269 3.013 20 0 GGADHM Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155736315 1423509815 /nfs/dbraw/zinc/50/98/15/1423509815.db2.gz BBDGSRKHTGININ-UYAOXDASSA-N -1 3 383.492 3.134 20 0 GGADHM CCC1CCC(N(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C2CC2)CC1 ZINC000820971913 1429648986 /nfs/dbraw/zinc/64/89/86/1429648986.db2.gz IBUJZEMTFLHZJE-UHFFFAOYSA-N -1 3 386.500 3.448 20 0 GGADHM CCC1CCC(N(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C2CC2)CC1 ZINC000820971913 1429648993 /nfs/dbraw/zinc/64/89/93/1429648993.db2.gz IBUJZEMTFLHZJE-UHFFFAOYSA-N -1 3 386.500 3.448 20 0 GGADHM Cc1ccn(-c2ccccc2CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC000826308683 1423537407 /nfs/dbraw/zinc/53/74/07/1423537407.db2.gz KWTLJGNSJQHZQC-CQSZACIVSA-N -1 3 377.427 3.351 20 0 GGADHM Cc1ccn(-c2ccccc2CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC000826308683 1423537410 /nfs/dbraw/zinc/53/74/10/1423537410.db2.gz KWTLJGNSJQHZQC-CQSZACIVSA-N -1 3 377.427 3.351 20 0 GGADHM C[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N1CCN(C)CC1 ZINC000179934760 1429649953 /nfs/dbraw/zinc/64/99/53/1429649953.db2.gz DRBOPPMPYSUSJG-AWEZNQCLSA-N -1 3 396.516 3.243 20 0 GGADHM O=C(Nc1cccc(CNCc2cc(-c3nn[n-]n3)cs2)c1)c1ccccc1 ZINC000823364001 1423618418 /nfs/dbraw/zinc/61/84/18/1423618418.db2.gz VVROYCLSZZDTOZ-UHFFFAOYSA-N -1 3 390.472 3.470 20 0 GGADHM CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000821013996 1423624201 /nfs/dbraw/zinc/62/42/01/1423624201.db2.gz AGIODTNVGGDSCR-BXUZGUMPSA-N -1 3 376.530 3.384 20 0 GGADHM CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821013996 1423624204 /nfs/dbraw/zinc/62/42/04/1423624204.db2.gz AGIODTNVGGDSCR-BXUZGUMPSA-N -1 3 376.530 3.384 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000156019049 1423636575 /nfs/dbraw/zinc/63/65/75/1423636575.db2.gz NJQHWLDLUUHJCT-HNNXBMFYSA-N -1 3 393.443 3.353 20 0 GGADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179954921 1429661103 /nfs/dbraw/zinc/66/11/03/1429661103.db2.gz FQRGHFJXNFDBRS-VIFPVBQESA-N -1 3 387.976 3.298 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c(OC)cccc3OC)c2)n1 ZINC000156123111 1423681965 /nfs/dbraw/zinc/68/19/65/1423681965.db2.gz BRKWIGMLRHYFSM-UHFFFAOYSA-N -1 3 393.443 3.198 20 0 GGADHM CN(CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1C=O ZINC000156214636 1423731005 /nfs/dbraw/zinc/73/10/05/1423731005.db2.gz FAWKSSNOLUJPRE-UHFFFAOYSA-N -1 3 384.329 3.115 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000156237763 1423738782 /nfs/dbraw/zinc/73/87/82/1423738782.db2.gz VOBRPLDEWABRNZ-SFHVURJKSA-N -1 3 392.839 3.430 20 0 GGADHM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179970009 1429667861 /nfs/dbraw/zinc/66/78/61/1429667861.db2.gz SVHVZJSGKSHREF-UHFFFAOYSA-N -1 3 387.976 3.156 20 0 GGADHM O=C(CSc1nncn1-c1cccc(Cl)c1)NCc1ccc([O-])c(F)c1 ZINC000156249135 1423742705 /nfs/dbraw/zinc/74/27/05/1423742705.db2.gz UWCDMDBSJHTYGY-UHFFFAOYSA-N -1 3 392.843 3.174 20 0 GGADHM Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000156300662 1423764957 /nfs/dbraw/zinc/76/49/57/1423764957.db2.gz SVIDCIFURPFVGJ-UHFFFAOYSA-N -1 3 386.452 3.137 20 0 GGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156307123 1423769463 /nfs/dbraw/zinc/76/94/63/1423769463.db2.gz JNNOQLXASKCHTO-KUHUBIRLSA-N -1 3 384.451 3.147 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Cc2cccs2)ccc1F ZINC000156436688 1423810714 /nfs/dbraw/zinc/81/07/14/1423810714.db2.gz QQBPLQLDPVEPPR-CYBMUJFWSA-N -1 3 398.525 3.183 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000156513010 1423821726 /nfs/dbraw/zinc/82/17/26/1423821726.db2.gz NYEKZHYRKPPOHO-UHFFFAOYSA-N -1 3 396.491 3.065 20 0 GGADHM CC(C)(C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000156553943 1423827337 /nfs/dbraw/zinc/82/73/37/1423827337.db2.gz AVIWDCKLGVDYND-UHFFFAOYSA-N -1 3 394.393 3.235 20 0 GGADHM O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc([O-])c(Br)c1 ZINC000156558287 1423828208 /nfs/dbraw/zinc/82/82/08/1423828208.db2.gz ZISXXSVYUGMRMT-ZZXKWVIFSA-N -1 3 376.206 3.213 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2nnc(C(F)F)n2c1 ZINC000156563816 1423828964 /nfs/dbraw/zinc/82/89/64/1423828964.db2.gz DJRRWTNVQPUTDG-UHFFFAOYSA-N -1 3 397.179 3.065 20 0 GGADHM CC(=O)Nc1ccc(F)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000156589894 1423833167 /nfs/dbraw/zinc/83/31/67/1423833167.db2.gz RIRYGGCUEAFRSD-UHFFFAOYSA-N -1 3 381.363 3.062 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CSCc3ccc(C#N)cc3)c2)n1 ZINC000156592955 1423833490 /nfs/dbraw/zinc/83/34/90/1423833490.db2.gz ABHVRNPCFPQWPD-UHFFFAOYSA-N -1 3 391.452 3.456 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000156656437 1423842340 /nfs/dbraw/zinc/84/23/40/1423842340.db2.gz HCUWTIHBLKEIEZ-ZDUSSCGKSA-N -1 3 387.482 3.306 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC(C2CCOCC2)CC1 ZINC000826369808 1423848774 /nfs/dbraw/zinc/84/87/74/1423848774.db2.gz RIPHDJSKNQDWCB-UHFFFAOYSA-N -1 3 393.438 3.107 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCC(C2CCOCC2)CC1 ZINC000826369808 1423848784 /nfs/dbraw/zinc/84/87/84/1423848784.db2.gz RIPHDJSKNQDWCB-UHFFFAOYSA-N -1 3 393.438 3.107 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000156690741 1423848939 /nfs/dbraw/zinc/84/89/39/1423848939.db2.gz LNRNZBMRGZCGDO-UHFFFAOYSA-N -1 3 399.443 3.435 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000826246385 1423853515 /nfs/dbraw/zinc/85/35/15/1423853515.db2.gz CKPDPYJXTCWOBG-FQEVSTJZSA-N -1 3 390.491 3.132 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000826246385 1423853518 /nfs/dbraw/zinc/85/35/18/1423853518.db2.gz CKPDPYJXTCWOBG-FQEVSTJZSA-N -1 3 390.491 3.132 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000156748817 1423858852 /nfs/dbraw/zinc/85/88/52/1423858852.db2.gz PLNDKPHRAQCJAB-UHFFFAOYSA-N -1 3 391.836 3.113 20 0 GGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000156814731 1423869315 /nfs/dbraw/zinc/86/93/15/1423869315.db2.gz HAJPOROJAXUPCC-HNNXBMFYSA-N -1 3 386.879 3.209 20 0 GGADHM COc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1-c1nnn[n-]1 ZINC000821805454 1423891947 /nfs/dbraw/zinc/89/19/47/1423891947.db2.gz UNJGNNNYFFBQBH-QGZVFWFLSA-N -1 3 377.448 3.411 20 0 GGADHM COc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1-c1nn[n-]n1 ZINC000821805454 1423891955 /nfs/dbraw/zinc/89/19/55/1423891955.db2.gz UNJGNNNYFFBQBH-QGZVFWFLSA-N -1 3 377.448 3.411 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCCOc1cccc(C(F)(F)F)c1 ZINC000822744681 1423891995 /nfs/dbraw/zinc/89/19/95/1423891995.db2.gz ZVOHGVXHFNAALG-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCCOc1cccc(C(F)(F)F)c1 ZINC000822744681 1423891999 /nfs/dbraw/zinc/89/19/99/1423891999.db2.gz ZVOHGVXHFNAALG-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000824991492 1429681150 /nfs/dbraw/zinc/68/11/50/1429681150.db2.gz BNGYVGMWYHRHOR-HNNXBMFYSA-N -1 3 385.475 3.387 20 0 GGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000824991492 1429681154 /nfs/dbraw/zinc/68/11/54/1429681154.db2.gz BNGYVGMWYHRHOR-HNNXBMFYSA-N -1 3 385.475 3.387 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1C ZINC000157007686 1423901735 /nfs/dbraw/zinc/90/17/35/1423901735.db2.gz REGADULNFGJCJD-UHFFFAOYSA-N -1 3 379.453 3.177 20 0 GGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000157031570 1423907104 /nfs/dbraw/zinc/90/71/04/1423907104.db2.gz NOPOQRHRUPCDSD-UHFFFAOYSA-N -1 3 396.346 3.240 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480291 1423940442 /nfs/dbraw/zinc/94/04/42/1423940442.db2.gz AWYZKYOMJYVWMV-JYJNAYRXSA-N -1 3 392.507 3.346 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480291 1423940444 /nfs/dbraw/zinc/94/04/44/1423940444.db2.gz AWYZKYOMJYVWMV-JYJNAYRXSA-N -1 3 392.507 3.346 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN([C@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264371 1423942402 /nfs/dbraw/zinc/94/24/02/1423942402.db2.gz LZAYQTDWSZYLOR-IAGOWNOFSA-N -1 3 390.491 3.300 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN([C@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264371 1423942408 /nfs/dbraw/zinc/94/24/08/1423942408.db2.gz LZAYQTDWSZYLOR-IAGOWNOFSA-N -1 3 390.491 3.300 20 0 GGADHM C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824538734 1423951527 /nfs/dbraw/zinc/95/15/27/1423951527.db2.gz KGRRZFGLNNBLMZ-OYYNGEPBSA-N -1 3 396.882 3.143 20 0 GGADHM C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538734 1423951532 /nfs/dbraw/zinc/95/15/32/1423951532.db2.gz KGRRZFGLNNBLMZ-OYYNGEPBSA-N -1 3 396.882 3.143 20 0 GGADHM CC(C)c1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)nn1-c1cccc(F)c1 ZINC000157208223 1423955439 /nfs/dbraw/zinc/95/54/39/1423955439.db2.gz TZYIZGLIHNSTIJ-UHFFFAOYSA-N -1 3 399.817 3.478 20 0 GGADHM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000157236214 1423962475 /nfs/dbraw/zinc/96/24/75/1423962475.db2.gz VEFUTWBGOXINNU-YADHBBJMSA-N -1 3 395.499 3.375 20 0 GGADHM CC(C)c1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)nn1-c1ccccc1F ZINC000157305240 1423980435 /nfs/dbraw/zinc/98/04/35/1423980435.db2.gz XGQRIMPOLPMHLZ-UHFFFAOYSA-N -1 3 399.817 3.478 20 0 GGADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000157443883 1424012837 /nfs/dbraw/zinc/01/28/37/1424012837.db2.gz AQQCDKLVIJWQBV-SFHVURJKSA-N -1 3 389.879 3.380 20 0 GGADHM CC(C)c1cnc(N2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000824353030 1424018627 /nfs/dbraw/zinc/01/86/27/1424018627.db2.gz UWNSUARFBKCUQH-UHFFFAOYSA-N -1 3 383.525 3.159 20 0 GGADHM CC(C)c1cnc(N2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000824353030 1424018632 /nfs/dbraw/zinc/01/86/32/1424018632.db2.gz UWNSUARFBKCUQH-UHFFFAOYSA-N -1 3 383.525 3.159 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)cc1NC1CC1 ZINC000157496155 1424023967 /nfs/dbraw/zinc/02/39/67/1424023967.db2.gz AOKHBLQIMMWMDK-UHFFFAOYSA-N -1 3 393.422 3.035 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOCc3ccc(OC)cc3)nc2)n1 ZINC000180017049 1429694453 /nfs/dbraw/zinc/69/44/53/1429694453.db2.gz QOILDOHTSMSFQG-UHFFFAOYSA-N -1 3 380.448 3.032 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3csc(-c4cccnc4)n3)nc21 ZINC000157763940 1424082595 /nfs/dbraw/zinc/08/25/95/1424082595.db2.gz GKGLZAPMNSTITD-UHFFFAOYSA-N -1 3 393.428 3.049 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3nc(-c4cccs4)no3)nc21 ZINC000157801572 1424091691 /nfs/dbraw/zinc/09/16/91/1424091691.db2.gz HXWVGKGSXXLSDS-UHFFFAOYSA-N -1 3 397.416 3.032 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1 ZINC000157838995 1424100293 /nfs/dbraw/zinc/10/02/93/1424100293.db2.gz XHDFPMOFIGIMSU-UHFFFAOYSA-N -1 3 376.503 3.243 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c1F ZINC000180022315 1429699067 /nfs/dbraw/zinc/69/90/67/1429699067.db2.gz ZETCBMQWWOLNPL-UHFFFAOYSA-N -1 3 390.358 3.227 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000157904178 1424116753 /nfs/dbraw/zinc/11/67/53/1424116753.db2.gz RHTOBRZPYOLTDN-UHFFFAOYSA-N -1 3 390.505 3.262 20 0 GGADHM CCOC(=O)CCN(Cc1cccnc1)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000157993635 1424136109 /nfs/dbraw/zinc/13/61/09/1424136109.db2.gz UHHQTZHIGVWZTQ-UHFFFAOYSA-N -1 3 396.443 3.157 20 0 GGADHM O=S(=O)([N-]c1cccnc1Cl)c1cccc(I)c1 ZINC000157991719 1424136132 /nfs/dbraw/zinc/13/61/32/1424136132.db2.gz IGALWVFSPXJOGB-UHFFFAOYSA-N -1 3 394.621 3.140 20 0 GGADHM COCc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000158075562 1424158812 /nfs/dbraw/zinc/15/88/12/1424158812.db2.gz MMSZJXZFBOAIDA-AWEZNQCLSA-N -1 3 395.912 3.043 20 0 GGADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000158150465 1424180126 /nfs/dbraw/zinc/18/01/26/1424180126.db2.gz IHTXUDUTEONEBA-DTWKUNHWSA-N -1 3 396.353 3.363 20 0 GGADHM CCn1cncc1[C@H]1CCCCN1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821566374 1424184511 /nfs/dbraw/zinc/18/45/11/1424184511.db2.gz AUJJNTAIJRXCDK-GOSISDBHSA-N -1 3 381.484 3.079 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000158210638 1424196031 /nfs/dbraw/zinc/19/60/31/1424196031.db2.gz RGUXUZRYRBKZRK-UHFFFAOYSA-N -1 3 380.400 3.492 20 0 GGADHM C[C@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824530730 1424228103 /nfs/dbraw/zinc/22/81/03/1424228103.db2.gz MXHHAYHQPRMCIW-ZBEGNZNMSA-N -1 3 377.370 3.270 20 0 GGADHM C[C@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824530730 1424228109 /nfs/dbraw/zinc/22/81/09/1424228109.db2.gz MXHHAYHQPRMCIW-ZBEGNZNMSA-N -1 3 377.370 3.270 20 0 GGADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccncc1 ZINC000158392400 1424243702 /nfs/dbraw/zinc/24/37/02/1424243702.db2.gz HKRJVKYUMDRBMG-MRXNPFEDSA-N -1 3 393.484 3.179 20 0 GGADHM CC(C)CSCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000158440711 1424255449 /nfs/dbraw/zinc/25/54/49/1424255449.db2.gz WTEKBVVPUGQHNK-UHFFFAOYSA-N -1 3 390.546 3.022 20 0 GGADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1cnc(Cl)c(Cl)c1 ZINC000158761533 1424336311 /nfs/dbraw/zinc/33/63/11/1424336311.db2.gz UVSPGMYTDAMEJU-UHFFFAOYSA-N -1 3 397.287 3.095 20 0 GGADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1cnc(Cl)c(Cl)c1 ZINC000158780262 1424339896 /nfs/dbraw/zinc/33/98/96/1424339896.db2.gz OUIYXFDDOUGUGP-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H](C)c2ccsc2)c1 ZINC000158790619 1424342383 /nfs/dbraw/zinc/34/23/83/1424342383.db2.gz DTMBKHFFTCYCHH-SECBINFHSA-N -1 3 383.267 3.084 20 0 GGADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccncc2)no1 ZINC000158868922 1424360859 /nfs/dbraw/zinc/36/08/59/1424360859.db2.gz IUKQITMFWSQAIV-INIZCTEOSA-N -1 3 385.399 3.173 20 0 GGADHM COc1ccc(NCc2cnc(C)n2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000158923846 1424373781 /nfs/dbraw/zinc/37/37/81/1424373781.db2.gz IDAIWKAKEKZNTM-UHFFFAOYSA-N -1 3 386.477 3.173 20 0 GGADHM COc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1[N-]S(C)(=O)=O ZINC000158961600 1424382351 /nfs/dbraw/zinc/38/23/51/1424382351.db2.gz UVNNDBQKVLJJRT-UHFFFAOYSA-N -1 3 376.478 3.392 20 0 GGADHM CC(C)(C)O[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000159063970 1424408636 /nfs/dbraw/zinc/40/86/36/1424408636.db2.gz GDEDOYUADSUFSZ-FQEVSTJZSA-N -1 3 396.487 3.233 20 0 GGADHM CC(C)(CCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000159065457 1424408653 /nfs/dbraw/zinc/40/86/53/1424408653.db2.gz LOBWYPYWJYEQIK-UHFFFAOYSA-N -1 3 380.488 3.435 20 0 GGADHM CC(C)(C)O[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000159073591 1424411164 /nfs/dbraw/zinc/41/11/64/1424411164.db2.gz PCOLOFMXWQIJPD-FQEVSTJZSA-N -1 3 396.487 3.233 20 0 GGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000159073015 1424411276 /nfs/dbraw/zinc/41/12/76/1424411276.db2.gz XLKQCDSVYCNIMP-HNNXBMFYSA-N -1 3 386.879 3.209 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000159122350 1424421744 /nfs/dbraw/zinc/42/17/44/1424421744.db2.gz CSSKHUWYNQSWSL-BBRMVZONSA-N -1 3 382.501 3.307 20 0 GGADHM Cc1cncc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000180075229 1429725939 /nfs/dbraw/zinc/72/59/39/1429725939.db2.gz MJNZKKDQYGDJDM-NRFANRHFSA-N -1 3 389.455 3.273 20 0 GGADHM O=S(=O)([N-]CC1([C@@H](O)c2ccccc2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000159310346 1424481320 /nfs/dbraw/zinc/48/13/20/1424481320.db2.gz SVAVLDCTROUNBL-AWEZNQCLSA-N -1 3 387.288 3.181 20 0 GGADHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000159472295 1424505395 /nfs/dbraw/zinc/50/53/95/1424505395.db2.gz JYXGTGOIUTVBNA-CQSZACIVSA-N -1 3 376.261 3.014 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)c1 ZINC000160036699 1424565556 /nfs/dbraw/zinc/56/55/56/1424565556.db2.gz XYTXQESBTGUUOX-HNNXBMFYSA-N -1 3 388.489 3.305 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)c1 ZINC000160036834 1424565948 /nfs/dbraw/zinc/56/59/48/1424565948.db2.gz XYTXQESBTGUUOX-OAHLLOKOSA-N -1 3 388.489 3.305 20 0 GGADHM Cc1cc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc(Cl)n1 ZINC000160177402 1424584108 /nfs/dbraw/zinc/58/41/08/1424584108.db2.gz CQZSDNWTENWXEY-UHFFFAOYSA-N -1 3 386.608 3.020 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2Br)c([O-])c1 ZINC000160182553 1424584193 /nfs/dbraw/zinc/58/41/93/1424584193.db2.gz DLJGQFXHYAKOGT-UHFFFAOYSA-N -1 3 379.210 3.287 20 0 GGADHM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160259528 1424590773 /nfs/dbraw/zinc/59/07/73/1424590773.db2.gz UWRKEXGXSXYAHV-UHFFFAOYSA-N -1 3 379.420 3.208 20 0 GGADHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160342585 1424596760 /nfs/dbraw/zinc/59/67/60/1424596760.db2.gz UAZBNQSKSPPJOC-INIZCTEOSA-N -1 3 377.404 3.276 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cnc5ccccc54)nc3)n[n-]2)o1 ZINC000160341410 1424597004 /nfs/dbraw/zinc/59/70/04/1424597004.db2.gz OCWLAGMNXYPING-UHFFFAOYSA-N -1 3 385.387 3.359 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)n[n-]2)o1 ZINC000160361342 1424598358 /nfs/dbraw/zinc/59/83/58/1424598358.db2.gz YYPLRMFZXUPRFO-UHFFFAOYSA-N -1 3 392.419 3.111 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n[n-]2)o1 ZINC000160368764 1424599527 /nfs/dbraw/zinc/59/95/27/1424599527.db2.gz VWMJNBDIUSXCGV-QWHCGFSZSA-N -1 3 389.456 3.395 20 0 GGADHM O=C(N[C@@H]1CCCc2sccc21)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000160392381 1424600431 /nfs/dbraw/zinc/60/04/31/1424600431.db2.gz LXUWRGVJLAEQER-OAHLLOKOSA-N -1 3 394.493 3.135 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)n[n-]2)o1 ZINC000160406422 1424601987 /nfs/dbraw/zinc/60/19/87/1424601987.db2.gz SFFASUIFZBKPNI-LBPRGKRZSA-N -1 3 375.429 3.101 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)CC3(NC(=O)OC(C)(C)C)CCC3)n[n-]2)o1 ZINC000160421973 1424603154 /nfs/dbraw/zinc/60/31/54/1424603154.db2.gz DVHUZZSJXVOROL-UHFFFAOYSA-N -1 3 375.429 3.149 20 0 GGADHM C[C@@H](CC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl)c1ccncc1 ZINC000160432601 1424603819 /nfs/dbraw/zinc/60/38/19/1424603819.db2.gz WASSTGBWLOHLBC-JTQLQIEISA-N -1 3 396.672 3.452 20 0 GGADHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000161575038 1424715455 /nfs/dbraw/zinc/71/54/55/1424715455.db2.gz AWQOPTOFAINDJD-UHFFFAOYSA-N -1 3 392.868 3.157 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000161582825 1424716865 /nfs/dbraw/zinc/71/68/65/1424716865.db2.gz KQGIJFDNSWSUKL-CQSZACIVSA-N -1 3 395.349 3.304 20 0 GGADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000161590803 1424718803 /nfs/dbraw/zinc/71/88/03/1424718803.db2.gz WDKVYVKVXNZKEA-UHFFFAOYSA-N -1 3 386.477 3.147 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000180126124 1429748150 /nfs/dbraw/zinc/74/81/50/1429748150.db2.gz COKXMDVCFQZWQV-UHFFFAOYSA-N -1 3 390.465 3.239 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000161964369 1424803569 /nfs/dbraw/zinc/80/35/69/1424803569.db2.gz ARIZENAMROUMIC-UHFFFAOYSA-N -1 3 386.477 3.305 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000162108861 1424816732 /nfs/dbraw/zinc/81/67/32/1424816732.db2.gz VASZIQLSFWYLFX-SFHVURJKSA-N -1 3 380.492 3.052 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1Cl ZINC000162308257 1424836505 /nfs/dbraw/zinc/83/65/05/1424836505.db2.gz HJHFXSSQFHXOIC-HNNXBMFYSA-N -1 3 378.252 3.319 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(OC(F)F)c3)nc21 ZINC000162451678 1424853602 /nfs/dbraw/zinc/85/36/02/1424853602.db2.gz TUSKBLSHBJTKEK-UHFFFAOYSA-N -1 3 375.331 3.132 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)nc21 ZINC000162459043 1424855035 /nfs/dbraw/zinc/85/50/35/1424855035.db2.gz RHODEHHBYFSDSH-LLVKDONJSA-N -1 3 383.379 3.336 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)c(N)c(Cl)c3)nc21 ZINC000162482887 1424857535 /nfs/dbraw/zinc/85/75/35/1424857535.db2.gz HYELZBQKOLCPKR-UHFFFAOYSA-N -1 3 379.203 3.491 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccc(F)cc4F)n3)n[n-]2)o1 ZINC000162491932 1424858633 /nfs/dbraw/zinc/85/86/33/1424858633.db2.gz LVAXQZGPVLCGGQ-UHFFFAOYSA-N -1 3 384.346 3.398 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccc(C)n4C)n3)nc21 ZINC000162513575 1424860629 /nfs/dbraw/zinc/86/06/29/1424860629.db2.gz CWLFUKWTTXFZCB-UHFFFAOYSA-N -1 3 395.444 3.372 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccccc4Cl)c3)nc21 ZINC000162531479 1424862961 /nfs/dbraw/zinc/86/29/61/1424862961.db2.gz ICWDGONHUNXZTD-UHFFFAOYSA-N -1 3 395.806 3.441 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(N4CCCC4)c(F)c3)nc21 ZINC000162541828 1424864637 /nfs/dbraw/zinc/86/46/37/1424864637.db2.gz OXNWMXNTCGIZRV-UHFFFAOYSA-N -1 3 382.395 3.341 20 0 GGADHM CN1Cc2ccccc2[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000826052720 1424871402 /nfs/dbraw/zinc/87/14/02/1424871402.db2.gz SYTNVFBXVYLKGT-KRWDZBQOSA-N -1 3 393.401 3.292 20 0 GGADHM CN1Cc2ccccc2[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826052720 1424871412 /nfs/dbraw/zinc/87/14/12/1424871412.db2.gz SYTNVFBXVYLKGT-KRWDZBQOSA-N -1 3 393.401 3.292 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](Cn2ccnn2)C1 ZINC000162676087 1424878557 /nfs/dbraw/zinc/87/85/57/1424878557.db2.gz BVICPSBTIAGMDI-LJQANCHMSA-N -1 3 376.460 3.127 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](Cn2ccnn2)C1 ZINC000162676334 1424878639 /nfs/dbraw/zinc/87/86/39/1424878639.db2.gz MNDUJPLFUMUPJH-MRXNPFEDSA-N -1 3 378.432 3.328 20 0 GGADHM COc1ccc(Br)cc1C(=O)CCC(=O)[N-]OCCC(F)(F)F ZINC000162730890 1424886271 /nfs/dbraw/zinc/88/62/71/1424886271.db2.gz RFAQYFKYGJRUSH-UHFFFAOYSA-N -1 3 398.175 3.421 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1F ZINC000826282780 1424934043 /nfs/dbraw/zinc/93/40/43/1424934043.db2.gz CDXUAKMBJVLUKF-LIRRHRJNSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1F ZINC000826282780 1424934048 /nfs/dbraw/zinc/93/40/48/1424934048.db2.gz CDXUAKMBJVLUKF-LIRRHRJNSA-N -1 3 394.454 3.160 20 0 GGADHM CC(=O)Nc1ccc(-c2csc([N-]c3ncnc4nn(C)cc43)n2)c(F)c1 ZINC000163173459 1424953410 /nfs/dbraw/zinc/95/34/10/1424953410.db2.gz BSOSYEXUDJWRMV-UHFFFAOYSA-N -1 3 383.412 3.328 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](O)c1ccc2ccccc2c1 ZINC000163243837 1424966384 /nfs/dbraw/zinc/96/63/84/1424966384.db2.gz IYGKNYOHLYLCMR-LJQANCHMSA-N -1 3 377.412 3.271 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000826169988 1424982159 /nfs/dbraw/zinc/98/21/59/1424982159.db2.gz LKTDVXLYKTVEDW-AWEZNQCLSA-N -1 3 389.463 3.220 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000163403878 1424992781 /nfs/dbraw/zinc/99/27/81/1424992781.db2.gz MCPUPPCOJZLKTF-HNNXBMFYSA-N -1 3 396.242 3.425 20 0 GGADHM COc1cc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc(OC)c1[O-] ZINC000163508198 1425010273 /nfs/dbraw/zinc/01/02/73/1425010273.db2.gz HMCXYDYKJQKKGU-UHFFFAOYSA-N -1 3 383.448 3.313 20 0 GGADHM CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)no1 ZINC000163508428 1425010308 /nfs/dbraw/zinc/01/03/08/1425010308.db2.gz KEIQTHKZGSNNFU-UHFFFAOYSA-N -1 3 391.371 3.441 20 0 GGADHM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)[C@@H]1CCSC1 ZINC000163624087 1425026034 /nfs/dbraw/zinc/02/60/34/1425026034.db2.gz ZMAGGUSAKKEHOM-CQSZACIVSA-N -1 3 394.493 3.204 20 0 GGADHM COc1cccc([C@@H](C)N2CCN([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737120438 1425029729 /nfs/dbraw/zinc/02/97/29/1425029729.db2.gz AHGJOQWAZLFONE-IAGOWNOFSA-N -1 3 392.507 3.315 20 0 GGADHM COc1cccc([C@@H](C)N2CCN([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737120438 1425029734 /nfs/dbraw/zinc/02/97/34/1425029734.db2.gz AHGJOQWAZLFONE-IAGOWNOFSA-N -1 3 392.507 3.315 20 0 GGADHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163689011 1425034558 /nfs/dbraw/zinc/03/45/58/1425034558.db2.gz WFSKERGEORNJQS-QGZVFWFLSA-N -1 3 388.439 3.431 20 0 GGADHM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163750376 1425040366 /nfs/dbraw/zinc/04/03/66/1425040366.db2.gz XMSKBYKOXGKCRP-CYBMUJFWSA-N -1 3 393.409 3.398 20 0 GGADHM COc1ccccc1[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000163931162 1425059369 /nfs/dbraw/zinc/05/93/69/1425059369.db2.gz UQEPRBFXVBDAAW-OAQYLSRUSA-N -1 3 378.428 3.271 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC000163964565 1425062830 /nfs/dbraw/zinc/06/28/30/1425062830.db2.gz YDNRFUYFXADWRK-UHFFFAOYSA-N -1 3 388.489 3.345 20 0 GGADHM CCOc1cc(Cl)ccc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000164043957 1425071474 /nfs/dbraw/zinc/07/14/74/1425071474.db2.gz HGOIDWGEMMAWQW-UHFFFAOYSA-N -1 3 377.872 3.358 20 0 GGADHM CCCC[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)on1 ZINC000821043394 1425093062 /nfs/dbraw/zinc/09/30/62/1425093062.db2.gz OPSMWYMCRMUGRX-XJKSGUPXSA-N -1 3 383.456 3.011 20 0 GGADHM CCCC[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)on1 ZINC000821043394 1425093066 /nfs/dbraw/zinc/09/30/66/1425093066.db2.gz OPSMWYMCRMUGRX-XJKSGUPXSA-N -1 3 383.456 3.011 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c(C)c2)CC1 ZINC000736569811 1425110539 /nfs/dbraw/zinc/11/05/39/1425110539.db2.gz UEAAFMYSEVASNM-QGZVFWFLSA-N -1 3 391.523 3.490 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](O)c1cc2ccccc2s1 ZINC000164433943 1425111493 /nfs/dbraw/zinc/11/14/93/1425111493.db2.gz JVSXPFBDURLAKX-OAHLLOKOSA-N -1 3 383.441 3.333 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](O)c1cc2ccccc2s1 ZINC000164434072 1425111632 /nfs/dbraw/zinc/11/16/32/1425111632.db2.gz JVSXPFBDURLAKX-HNNXBMFYSA-N -1 3 383.441 3.333 20 0 GGADHM C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824545623 1425111693 /nfs/dbraw/zinc/11/16/93/1425111693.db2.gz DLGFSODUDZVTCJ-GXTWGEPZSA-N -1 3 390.463 3.056 20 0 GGADHM C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545623 1425111694 /nfs/dbraw/zinc/11/16/94/1425111694.db2.gz DLGFSODUDZVTCJ-GXTWGEPZSA-N -1 3 390.463 3.056 20 0 GGADHM COc1cccc(C[C@H](OC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccccc2)c1 ZINC000164469111 1425115040 /nfs/dbraw/zinc/11/50/40/1425115040.db2.gz JZXSVTGPUYGGCZ-NRFANRHFSA-N -1 3 392.455 3.465 20 0 GGADHM O=C([N-]NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000164607541 1425128562 /nfs/dbraw/zinc/12/85/62/1425128562.db2.gz MEYOANYILISWDP-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl ZINC000164607541 1425128573 /nfs/dbraw/zinc/12/85/73/1425128573.db2.gz MEYOANYILISWDP-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM Clc1ccc(O[C@@H]2CCN(Cc3ccc(-c4nn[n-]n4)o3)C2)cc1Cl ZINC000826352876 1425139343 /nfs/dbraw/zinc/13/93/43/1425139343.db2.gz RCXATXUXVLHLIX-GFCCVEGCSA-N -1 3 380.235 3.420 20 0 GGADHM Clc1ccc(O[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)o3)C2)cc1Cl ZINC000826352876 1425139348 /nfs/dbraw/zinc/13/93/48/1425139348.db2.gz RCXATXUXVLHLIX-GFCCVEGCSA-N -1 3 380.235 3.420 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822345804 1425163032 /nfs/dbraw/zinc/16/30/32/1425163032.db2.gz RZJUCEDKTPMOMK-OWCLPIDISA-N -1 3 378.480 3.092 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822345804 1425163037 /nfs/dbraw/zinc/16/30/37/1425163037.db2.gz RZJUCEDKTPMOMK-OWCLPIDISA-N -1 3 378.480 3.092 20 0 GGADHM CCc1nc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000165566532 1425186379 /nfs/dbraw/zinc/18/63/79/1425186379.db2.gz NBTLQKZCAFHPPT-SECBINFHSA-N -1 3 377.491 3.467 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)c[n-]c12 ZINC000166046783 1425205728 /nfs/dbraw/zinc/20/57/28/1425205728.db2.gz LCZXXLWHHFOAFB-UHFFFAOYSA-N -1 3 377.379 3.023 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cnc(Cl)c(Cl)c1 ZINC000167296286 1425224373 /nfs/dbraw/zinc/22/43/73/1425224373.db2.gz JUYWNWSFZKUUMH-RTXFEEFZSA-N -1 3 377.293 3.014 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)[C@H](O)c1c(F)cccc1F ZINC000825139028 1425257710 /nfs/dbraw/zinc/25/77/10/1425257710.db2.gz AFZDSEZSZGDQNU-BMIZZYGASA-N -1 3 391.397 3.447 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)[C@H](O)c1c(F)cccc1F ZINC000825139028 1425257715 /nfs/dbraw/zinc/25/77/15/1425257715.db2.gz AFZDSEZSZGDQNU-BMIZZYGASA-N -1 3 391.397 3.447 20 0 GGADHM COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000169861472 1425260029 /nfs/dbraw/zinc/26/00/29/1425260029.db2.gz PAGHDRYRYDTEQZ-UHFFFAOYSA-N -1 3 388.851 3.089 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736286961 1425278117 /nfs/dbraw/zinc/27/81/17/1425278117.db2.gz CLIPJPQOXWBKBI-CQSZACIVSA-N -1 3 383.887 3.016 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736286961 1425278122 /nfs/dbraw/zinc/27/81/22/1425278122.db2.gz CLIPJPQOXWBKBI-CQSZACIVSA-N -1 3 383.887 3.016 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000170652928 1425278405 /nfs/dbraw/zinc/27/84/05/1425278405.db2.gz QQOCYFFSMHJADE-HNNXBMFYSA-N -1 3 388.464 3.330 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(F)c1 ZINC000170655511 1425279271 /nfs/dbraw/zinc/27/92/71/1425279271.db2.gz HELJKVBDKUAUAG-GFCCVEGCSA-N -1 3 392.283 3.109 20 0 GGADHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1ccc(Cl)nc1Cl ZINC000170656520 1425279318 /nfs/dbraw/zinc/27/93/18/1425279318.db2.gz ZBRSQKASZMEYIJ-UHFFFAOYSA-N -1 3 385.276 3.107 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1ccc(Cl)nc1Cl ZINC000170660633 1425281276 /nfs/dbraw/zinc/28/12/76/1425281276.db2.gz KCMSLLANUYVBBM-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=C(Nc1ccccc1C(F)(F)F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000170706261 1425309380 /nfs/dbraw/zinc/30/93/80/1425309380.db2.gz BEQOXVSSIFVKFN-UHFFFAOYSA-N -1 3 393.365 3.401 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Sc3ncccn3)cc2C)c(=O)[n-]1 ZINC000170747115 1425325951 /nfs/dbraw/zinc/32/59/51/1425325951.db2.gz DMSULDQDESUWEP-UHFFFAOYSA-N -1 3 395.488 3.208 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSC[C@H]3CCCCO3)c2)n1 ZINC000170758595 1425329852 /nfs/dbraw/zinc/32/98/52/1425329852.db2.gz NZOGHIREEHFTTO-QGZVFWFLSA-N -1 3 387.505 3.240 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCOC2)cc1 ZINC000170795255 1425345765 /nfs/dbraw/zinc/34/57/65/1425345765.db2.gz HKFJODLGWJBGBB-INIZCTEOSA-N -1 3 388.489 3.469 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2nc3ccccc3s2)c([O-])c1 ZINC000170826060 1425356368 /nfs/dbraw/zinc/35/63/68/1425356368.db2.gz VLGBFVRIURUDMT-UHFFFAOYSA-N -1 3 383.473 3.089 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(N3CCCC3)cc2C)c([O-])c1 ZINC000170826263 1425356946 /nfs/dbraw/zinc/35/69/46/1425356946.db2.gz HQAXVEXIRSGUOV-UHFFFAOYSA-N -1 3 381.476 3.368 20 0 GGADHM COc1ccc([C@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C2CC2)cc1 ZINC000170826762 1425356988 /nfs/dbraw/zinc/35/69/88/1425356988.db2.gz MRZBRLKLTMPKCA-OAQYLSRUSA-N -1 3 382.460 3.097 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Cc3ccncc3)cc2)c([O-])c1 ZINC000170826162 1425357210 /nfs/dbraw/zinc/35/72/10/1425357210.db2.gz JCQJNUOHYFVGFT-UHFFFAOYSA-N -1 3 389.455 3.445 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000170828186 1425357636 /nfs/dbraw/zinc/35/76/36/1425357636.db2.gz ODYFQUGNWVPOCK-XMSQKQJNSA-N -1 3 396.487 3.105 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000170828185 1425357809 /nfs/dbraw/zinc/35/78/09/1425357809.db2.gz ODYFQUGNWVPOCK-PGRDOPGGSA-N -1 3 396.487 3.105 20 0 GGADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000170829099 1425358919 /nfs/dbraw/zinc/35/89/19/1425358919.db2.gz ZHIMYOIIPYTQDE-OAHLLOKOSA-N -1 3 394.475 3.068 20 0 GGADHM O=C1[N-]C(=O)/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)c2ccccc21 ZINC000170851491 1425369392 /nfs/dbraw/zinc/36/93/92/1425369392.db2.gz TZVPDBXDSYHZSQ-OVCLIPMQSA-N -1 3 376.393 3.349 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826341655 1425385308 /nfs/dbraw/zinc/38/53/08/1425385308.db2.gz MSUHEZDZJAOPJQ-SJCJKPOMSA-N -1 3 380.452 3.144 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826341655 1425385313 /nfs/dbraw/zinc/38/53/13/1425385313.db2.gz MSUHEZDZJAOPJQ-SJCJKPOMSA-N -1 3 380.452 3.144 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc1 ZINC000171066370 1425465375 /nfs/dbraw/zinc/46/53/75/1425465375.db2.gz UVMNAVFODSIXKN-LBPRGKRZSA-N -1 3 392.283 3.109 20 0 GGADHM O=C1OCc2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)cc21 ZINC000171090626 1425477261 /nfs/dbraw/zinc/47/72/61/1425477261.db2.gz QBHIGJUHRPFILG-UHFFFAOYSA-N -1 3 375.299 3.316 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CC3)c2)cc1 ZINC000171116913 1425491362 /nfs/dbraw/zinc/49/13/62/1425491362.db2.gz XFXKOMYAOYFZBI-UHFFFAOYSA-N -1 3 388.489 3.429 20 0 GGADHM C/C(=C\C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Cl ZINC000171184750 1425529265 /nfs/dbraw/zinc/52/92/65/1425529265.db2.gz SXTQADRZXDQLKY-CCEZHUSRSA-N -1 3 384.863 3.434 20 0 GGADHM COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826189999 1425533236 /nfs/dbraw/zinc/53/32/36/1425533236.db2.gz MEBZHVQKXCEJBR-SFHVURJKSA-N -1 3 395.463 3.230 20 0 GGADHM c1c(CN2CCC3(CC2)OCc2ccccc23)c(-c2nn[n-]n2)c2ccccn12 ZINC000823802672 1425578429 /nfs/dbraw/zinc/57/84/29/1425578429.db2.gz XGJQCVMWMZLRJD-UHFFFAOYSA-N -1 3 386.459 3.141 20 0 GGADHM c1c(CN2CCC3(CC2)OCc2ccccc23)c(-c2nnn[n-]2)c2ccccn12 ZINC000823802672 1425578432 /nfs/dbraw/zinc/57/84/32/1425578432.db2.gz XGJQCVMWMZLRJD-UHFFFAOYSA-N -1 3 386.459 3.141 20 0 GGADHM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc(F)c(F)c(F)c1 ZINC000171271957 1425587141 /nfs/dbraw/zinc/58/71/41/1425587141.db2.gz LSNDJUVJPRSTQK-UHFFFAOYSA-N -1 3 379.363 3.138 20 0 GGADHM Cc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000171298395 1425601597 /nfs/dbraw/zinc/60/15/97/1425601597.db2.gz JXJVJQQDKNLSJU-UHFFFAOYSA-N -1 3 378.469 3.488 20 0 GGADHM COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)c1 ZINC000171308491 1425607816 /nfs/dbraw/zinc/60/78/16/1425607816.db2.gz MEBJABYSCVCRMU-UHFFFAOYSA-N -1 3 394.468 3.472 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821984391 1425619969 /nfs/dbraw/zinc/61/99/69/1425619969.db2.gz PKTXLMFZVBHKIQ-CHWSQXEVSA-N -1 3 382.493 3.266 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821984391 1425619975 /nfs/dbraw/zinc/61/99/75/1425619975.db2.gz PKTXLMFZVBHKIQ-CHWSQXEVSA-N -1 3 382.493 3.266 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000171340203 1425626458 /nfs/dbraw/zinc/62/64/58/1425626458.db2.gz FQWKJFUUHFGHFY-UHFFFAOYSA-N -1 3 392.546 3.495 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000737631074 1425642546 /nfs/dbraw/zinc/64/25/46/1425642546.db2.gz DDAQSDFCWADBJA-GFCCVEGCSA-N -1 3 393.373 3.123 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000737631074 1425642549 /nfs/dbraw/zinc/64/25/49/1425642549.db2.gz DDAQSDFCWADBJA-GFCCVEGCSA-N -1 3 393.373 3.123 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(O[C@H]4CCCCNC4=O)cc3)n[n-]2)o1 ZINC000171374936 1425647496 /nfs/dbraw/zinc/64/74/96/1425647496.db2.gz OUKGGHRVSRIQDY-IBGZPJMESA-N -1 3 395.415 3.245 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(O[C@H]4CCCCNC4=O)cc3)[n-]n2)o1 ZINC000171374936 1425647502 /nfs/dbraw/zinc/64/75/02/1425647502.db2.gz OUKGGHRVSRIQDY-IBGZPJMESA-N -1 3 395.415 3.245 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCSc3ccc(F)cc32)c([O-])c1 ZINC000171398053 1425661719 /nfs/dbraw/zinc/66/17/19/1425661719.db2.gz YMSNYVJMCVJURU-MRXNPFEDSA-N -1 3 388.464 3.313 20 0 GGADHM Cc1cc2cc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2[nH]1 ZINC000171402967 1425664050 /nfs/dbraw/zinc/66/40/50/1425664050.db2.gz CVNWUDPBFSZWRP-UHFFFAOYSA-N -1 3 378.432 3.172 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000171464951 1425690889 /nfs/dbraw/zinc/69/08/89/1425690889.db2.gz WRJFEPQSGPBOEI-LLVKDONJSA-N -1 3 391.452 3.493 20 0 GGADHM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139853862 1425707734 /nfs/dbraw/zinc/70/77/34/1425707734.db2.gz PRNHLUQZFHKQLP-UHFFFAOYSA-N -1 3 386.500 3.088 20 0 GGADHM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853862 1425707735 /nfs/dbraw/zinc/70/77/35/1425707735.db2.gz PRNHLUQZFHKQLP-UHFFFAOYSA-N -1 3 386.500 3.088 20 0 GGADHM CN1Cc2ccccc2[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000826052721 1425722465 /nfs/dbraw/zinc/72/24/65/1425722465.db2.gz SYTNVFBXVYLKGT-QGZVFWFLSA-N -1 3 393.401 3.292 20 0 GGADHM CN1Cc2ccccc2[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826052721 1425722469 /nfs/dbraw/zinc/72/24/69/1425722469.db2.gz SYTNVFBXVYLKGT-QGZVFWFLSA-N -1 3 393.401 3.292 20 0 GGADHM O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cnn[n-]1 ZINC000171561224 1425736348 /nfs/dbraw/zinc/73/63/48/1425736348.db2.gz GTXJCCMQAUPUJM-UHFFFAOYSA-N -1 3 375.310 3.328 20 0 GGADHM O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1c[n-]nn1 ZINC000171561224 1425736350 /nfs/dbraw/zinc/73/63/50/1425736350.db2.gz GTXJCCMQAUPUJM-UHFFFAOYSA-N -1 3 375.310 3.328 20 0 GGADHM O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cn[n-]n1 ZINC000171561224 1425736353 /nfs/dbraw/zinc/73/63/53/1425736353.db2.gz GTXJCCMQAUPUJM-UHFFFAOYSA-N -1 3 375.310 3.328 20 0 GGADHM COc1cccc([C@@H](C)N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1 ZINC000171706730 1425797493 /nfs/dbraw/zinc/79/74/93/1425797493.db2.gz YDZYZMOOJKDTCB-MRXNPFEDSA-N -1 3 394.471 3.386 20 0 GGADHM Cc1ccc(CNCc2ccc(-c3nn[n-]n3)s2)c(OCC(F)(F)F)c1 ZINC000822238572 1425811376 /nfs/dbraw/zinc/81/13/76/1425811376.db2.gz MKDWIGDBLBFWJB-UHFFFAOYSA-N -1 3 383.399 3.468 20 0 GGADHM Cc1c([C@@H](C)NC(=O)c2nnc3ccccc3c2[O-])cnn1-c1ccc(F)cc1 ZINC000171766379 1425814929 /nfs/dbraw/zinc/81/49/29/1425814929.db2.gz YKROTNHTLQULAO-GFCCVEGCSA-N -1 3 391.406 3.047 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000171773691 1425816825 /nfs/dbraw/zinc/81/68/25/1425816825.db2.gz RWRJFNIDOCMKKW-UHFFFAOYSA-N -1 3 393.896 3.482 20 0 GGADHM O=C(c1cnc(-c2ccsc2)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000171852530 1425835419 /nfs/dbraw/zinc/83/54/19/1425835419.db2.gz HNXNJNVYQOLQCO-UHFFFAOYSA-N -1 3 399.497 3.175 20 0 GGADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)c1cccs1 ZINC000171859229 1425836578 /nfs/dbraw/zinc/83/65/78/1425836578.db2.gz XFDRIPJBFWMVGM-NSHDSACASA-N -1 3 395.440 3.133 20 0 GGADHM O=C(Cc1cccc2ccccc21)[N-]OCCCS(=O)(=O)c1ccccc1 ZINC000172059095 1425885648 /nfs/dbraw/zinc/88/56/48/1425885648.db2.gz MVAJAIMSPUMFKL-UHFFFAOYSA-N -1 3 383.469 3.294 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@@H](C(C)(C)C)C1 ZINC000824052345 1425895888 /nfs/dbraw/zinc/89/58/88/1425895888.db2.gz NLDPMWCVGYSBMO-VXGBXAGGSA-N -1 3 388.541 3.112 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@@H](C(C)(C)C)C1 ZINC000824052345 1425895896 /nfs/dbraw/zinc/89/58/96/1425895896.db2.gz NLDPMWCVGYSBMO-VXGBXAGGSA-N -1 3 388.541 3.112 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000825140637 1425933653 /nfs/dbraw/zinc/93/36/53/1425933653.db2.gz LJXRRHKEFOREMS-QGZVFWFLSA-N -1 3 386.406 3.214 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000825140637 1425933657 /nfs/dbraw/zinc/93/36/57/1425933657.db2.gz LJXRRHKEFOREMS-QGZVFWFLSA-N -1 3 386.406 3.214 20 0 GGADHM Cc1cccc(C(C)(C)NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826296290 1425942005 /nfs/dbraw/zinc/94/20/05/1425942005.db2.gz QEVGPRFPFVWYTJ-UHFFFAOYSA-N -1 3 384.871 3.292 20 0 GGADHM Cc1cccc(C(C)(C)NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826296290 1425942011 /nfs/dbraw/zinc/94/20/11/1425942011.db2.gz QEVGPRFPFVWYTJ-UHFFFAOYSA-N -1 3 384.871 3.292 20 0 GGADHM COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826180755 1425945978 /nfs/dbraw/zinc/94/59/78/1425945978.db2.gz VUJCEWJJJDZNFX-QWHCGFSZSA-N -1 3 380.452 3.246 20 0 GGADHM COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826180755 1425945982 /nfs/dbraw/zinc/94/59/82/1425945982.db2.gz VUJCEWJJJDZNFX-QWHCGFSZSA-N -1 3 380.452 3.246 20 0 GGADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)cc2)CC1 ZINC000172275105 1425977244 /nfs/dbraw/zinc/97/72/44/1425977244.db2.gz KBENBBWTJPOSQW-UHFFFAOYSA-N -1 3 399.516 3.010 20 0 GGADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000172351335 1426011957 /nfs/dbraw/zinc/01/19/57/1426011957.db2.gz YVYIQILIGYXQRH-UHFFFAOYSA-N -1 3 379.457 3.431 20 0 GGADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172366536 1426016281 /nfs/dbraw/zinc/01/62/81/1426016281.db2.gz GVQLKRMSMDXSKJ-MPGHIAIKSA-N -1 3 394.537 3.034 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000172376024 1426018719 /nfs/dbraw/zinc/01/87/19/1426018719.db2.gz AJQOCSPAIYTOFN-UHFFFAOYSA-N -1 3 378.432 3.094 20 0 GGADHM C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820642363 1426021194 /nfs/dbraw/zinc/02/11/94/1426021194.db2.gz IDBYMGNOTBQDFX-KSSFIOAISA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642363 1426021199 /nfs/dbraw/zinc/02/11/99/1426021199.db2.gz IDBYMGNOTBQDFX-KSSFIOAISA-N -1 3 387.447 3.295 20 0 GGADHM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc([O-])c(F)c1 ZINC000172528081 1426072442 /nfs/dbraw/zinc/07/24/42/1426072442.db2.gz FCDHVKFAGZMGSR-UHFFFAOYSA-N -1 3 385.439 3.157 20 0 GGADHM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1cnc(Cl)c(Cl)c1 ZINC000172600410 1426107593 /nfs/dbraw/zinc/10/75/93/1426107593.db2.gz ZZZPACQWACQTQP-UHFFFAOYSA-N -1 3 392.333 3.245 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccco3)s2)c1 ZINC000172625628 1426117919 /nfs/dbraw/zinc/11/79/19/1426117919.db2.gz JSYDWFUCHAUVMY-UHFFFAOYSA-N -1 3 395.437 3.045 20 0 GGADHM C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824619614 1426123600 /nfs/dbraw/zinc/12/36/00/1426123600.db2.gz XLABCFWEKLOQLW-MRXNPFEDSA-N -1 3 377.496 3.493 20 0 GGADHM C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824619614 1426123607 /nfs/dbraw/zinc/12/36/07/1426123607.db2.gz XLABCFWEKLOQLW-MRXNPFEDSA-N -1 3 377.496 3.493 20 0 GGADHM CC[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212902 1426128595 /nfs/dbraw/zinc/12/85/95/1426128595.db2.gz URFJUEPPZNSHJI-WFASDCNBSA-N -1 3 392.529 3.053 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000172657195 1426130370 /nfs/dbraw/zinc/13/03/70/1426130370.db2.gz QNIHZIVXIQMZLV-UHFFFAOYSA-N -1 3 385.420 3.273 20 0 GGADHM CC1(C)CN(C(=O)C(=O)NCc2ccc([O-])c(F)c2)c2cccc(Cl)c21 ZINC000172657124 1426130588 /nfs/dbraw/zinc/13/05/88/1426130588.db2.gz SGFLCYIALNLFOS-UHFFFAOYSA-N -1 3 376.815 3.125 20 0 GGADHM C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736129364 1426145485 /nfs/dbraw/zinc/14/54/85/1426145485.db2.gz DIBNYDIBRANANA-VXGBXAGGSA-N -1 3 382.493 3.095 20 0 GGADHM c1ccc2c(c1)C=C(CN1CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC1)CO2 ZINC000823868264 1426156854 /nfs/dbraw/zinc/15/68/54/1426156854.db2.gz SWDFNBQYXNSCGP-UHFFFAOYSA-N -1 3 389.459 3.186 20 0 GGADHM c1ccc2c(c1)C=C(CN1CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC1)CO2 ZINC000823868264 1426156857 /nfs/dbraw/zinc/15/68/57/1426156857.db2.gz SWDFNBQYXNSCGP-UHFFFAOYSA-N -1 3 389.459 3.186 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc(C)c1F ZINC000172892219 1426242318 /nfs/dbraw/zinc/24/23/18/1426242318.db2.gz ORYJXUWBUNWQHF-UHFFFAOYSA-N -1 3 382.432 3.219 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3Cc4ccccc4C[C@H]3C)nc(=O)c2c1C ZINC000172910950 1426255657 /nfs/dbraw/zinc/25/56/57/1426255657.db2.gz IEVMQLZUTGPTKY-LLVKDONJSA-N -1 3 383.473 3.026 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3Cc4ccccc4C[C@@H]3C)nc(=O)c2c1C ZINC000172910945 1426255990 /nfs/dbraw/zinc/25/59/90/1426255990.db2.gz IEVMQLZUTGPTKY-NSHDSACASA-N -1 3 383.473 3.026 20 0 GGADHM C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C(=O)N1c1ccccc1 ZINC000824893353 1426285876 /nfs/dbraw/zinc/28/58/76/1426285876.db2.gz QCCGXYLGDQZWMS-JSNMRZPZSA-N -1 3 388.475 3.028 20 0 GGADHM C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C(=O)N1c1ccccc1 ZINC000824893353 1426285878 /nfs/dbraw/zinc/28/58/78/1426285878.db2.gz QCCGXYLGDQZWMS-JSNMRZPZSA-N -1 3 388.475 3.028 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000173027256 1426314639 /nfs/dbraw/zinc/31/46/39/1426314639.db2.gz NDSCNOAPRUBJTB-UHFFFAOYSA-N -1 3 385.407 3.131 20 0 GGADHM CCc1cnc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000173055560 1426325703 /nfs/dbraw/zinc/32/57/03/1426325703.db2.gz AIYHPCCFIHKNOI-UHFFFAOYSA-N -1 3 385.486 3.174 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000173063427 1426327791 /nfs/dbraw/zinc/32/77/91/1426327791.db2.gz HPLUVDHNPWLAEF-NSHDSACASA-N -1 3 388.386 3.048 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCC1CCOCC1 ZINC000173086700 1426336292 /nfs/dbraw/zinc/33/62/92/1426336292.db2.gz HZXBLSZCEJBLCT-UHFFFAOYSA-N -1 3 394.415 3.222 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Nc1cccc2ccccc21 ZINC000173093135 1426338935 /nfs/dbraw/zinc/33/89/35/1426338935.db2.gz HQXPBMBSEMNSKV-UHFFFAOYSA-N -1 3 394.374 3.174 20 0 GGADHM Cc1cccc(NC[C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000822323508 1426339165 /nfs/dbraw/zinc/33/91/65/1426339165.db2.gz JEXPGAMFWUBPIB-HNNXBMFYSA-N -1 3 386.463 3.057 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000173127263 1426353754 /nfs/dbraw/zinc/35/37/54/1426353754.db2.gz QYAYVPKQSKNJDW-UHFFFAOYSA-N -1 3 399.438 3.358 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccoc3)n2)c1 ZINC000173142219 1426362784 /nfs/dbraw/zinc/36/27/84/1426362784.db2.gz UCYWFNUJEXWKKL-UHFFFAOYSA-N -1 3 395.437 3.045 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H]3C)c2)cc1 ZINC000173153896 1426367952 /nfs/dbraw/zinc/36/79/52/1426367952.db2.gz HAMLYEDKSSKCNE-HNNXBMFYSA-N -1 3 388.489 3.429 20 0 GGADHM C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000173164866 1426373156 /nfs/dbraw/zinc/37/31/56/1426373156.db2.gz PKDZHZFYTGFXGY-VIFPVBQESA-N -1 3 377.293 3.059 20 0 GGADHM CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820913671 1426451536 /nfs/dbraw/zinc/45/15/36/1426451536.db2.gz IUQRFSPUPLDCSY-OAHLLOKOSA-N -1 3 384.509 3.210 20 0 GGADHM CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820913671 1426451538 /nfs/dbraw/zinc/45/15/38/1426451538.db2.gz IUQRFSPUPLDCSY-OAHLLOKOSA-N -1 3 384.509 3.210 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000820676383 1426460389 /nfs/dbraw/zinc/46/03/89/1426460389.db2.gz MMNDNFKWNKAIKY-ZNZDAUKMSA-N -1 3 379.464 3.281 20 0 GGADHM C[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824618908 1426467656 /nfs/dbraw/zinc/46/76/56/1426467656.db2.gz RWURELAVAOEKOA-ZDUSSCGKSA-N -1 3 382.493 3.491 20 0 GGADHM C[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618908 1426467659 /nfs/dbraw/zinc/46/76/59/1426467659.db2.gz RWURELAVAOEKOA-ZDUSSCGKSA-N -1 3 382.493 3.491 20 0 GGADHM O[C@H](CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1)c1ccco1 ZINC000826503183 1426469346 /nfs/dbraw/zinc/46/93/46/1426469346.db2.gz SGRPRNYAYBOGMA-QGZVFWFLSA-N -1 3 381.461 3.257 20 0 GGADHM O[C@H](CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1)c1ccco1 ZINC000826503183 1426469349 /nfs/dbraw/zinc/46/93/49/1426469349.db2.gz SGRPRNYAYBOGMA-QGZVFWFLSA-N -1 3 381.461 3.257 20 0 GGADHM COc1ccc(CNCc2cccc(NC(=O)CC(C)C)c2)cc1-c1nnn[n-]1 ZINC000821818701 1426525796 /nfs/dbraw/zinc/52/57/96/1426525796.db2.gz YRYOAUAQHLKIHP-UHFFFAOYSA-N -1 3 394.479 3.150 20 0 GGADHM COc1ccc(CNCc2cccc(NC(=O)CC(C)C)c2)cc1-c1nn[n-]n1 ZINC000821818701 1426525801 /nfs/dbraw/zinc/52/58/01/1426525801.db2.gz YRYOAUAQHLKIHP-UHFFFAOYSA-N -1 3 394.479 3.150 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc[nH]3)ccc2C)cc1 ZINC000173392471 1426571286 /nfs/dbraw/zinc/57/12/86/1426571286.db2.gz VLUOQUWDLHONHE-UHFFFAOYSA-N -1 3 399.472 3.063 20 0 GGADHM C[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617885 1426599280 /nfs/dbraw/zinc/59/92/80/1426599280.db2.gz KYQBQGJJJSAWRL-CQSZACIVSA-N -1 3 377.427 3.101 20 0 GGADHM C[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617885 1426599286 /nfs/dbraw/zinc/59/92/86/1426599286.db2.gz KYQBQGJJJSAWRL-CQSZACIVSA-N -1 3 377.427 3.101 20 0 GGADHM Fc1ccc(COC2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826374909 1426619594 /nfs/dbraw/zinc/61/95/94/1426619594.db2.gz REHGWLDKPPOXAR-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1ccc(COC2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826374909 1426619600 /nfs/dbraw/zinc/61/96/00/1426619600.db2.gz REHGWLDKPPOXAR-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM C[C@H](NCc1ccccc1Cn1ccnc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824625811 1426638775 /nfs/dbraw/zinc/63/87/75/1426638775.db2.gz KOBACCZPKALMJA-AWEZNQCLSA-N -1 3 377.427 3.101 20 0 GGADHM C[C@H](NCc1ccccc1Cn1ccnc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824625811 1426638779 /nfs/dbraw/zinc/63/87/79/1426638779.db2.gz KOBACCZPKALMJA-AWEZNQCLSA-N -1 3 377.427 3.101 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c(-c2nn[n-]n2)c1C ZINC000826349249 1426643043 /nfs/dbraw/zinc/64/30/43/1426643043.db2.gz ASLULZMFRBISNQ-QGZVFWFLSA-N -1 3 384.509 3.470 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826349249 1426643046 /nfs/dbraw/zinc/64/30/46/1426643046.db2.gz ASLULZMFRBISNQ-QGZVFWFLSA-N -1 3 384.509 3.470 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000173478049 1426652284 /nfs/dbraw/zinc/65/22/84/1426652284.db2.gz YQISCIPBLOFUJT-KKSFZXQISA-N -1 3 377.444 3.129 20 0 GGADHM CC[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC000825139360 1426661640 /nfs/dbraw/zinc/66/16/40/1426661640.db2.gz FECLWPWTTAWRDF-MOPGFXCFSA-N -1 3 376.464 3.103 20 0 GGADHM CC[C@@H](N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000825139360 1426661647 /nfs/dbraw/zinc/66/16/47/1426661647.db2.gz FECLWPWTTAWRDF-MOPGFXCFSA-N -1 3 376.464 3.103 20 0 GGADHM Fc1c(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1-c1nnn[n-]1 ZINC000826370908 1426675483 /nfs/dbraw/zinc/67/54/83/1426675483.db2.gz LFOSIKPFRWESCC-IBGZPJMESA-N -1 3 381.411 3.018 20 0 GGADHM Fc1c(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1-c1nn[n-]n1 ZINC000826370908 1426675493 /nfs/dbraw/zinc/67/54/93/1426675493.db2.gz LFOSIKPFRWESCC-IBGZPJMESA-N -1 3 381.411 3.018 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(O[C@@H]2CCOC2)c1 ZINC000826288534 1426686125 /nfs/dbraw/zinc/68/61/25/1426686125.db2.gz LLSJKFSUPJSDMT-HNAYVOBHSA-N -1 3 379.464 3.194 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(O[C@@H]2CCOC2)c1 ZINC000826288534 1426686128 /nfs/dbraw/zinc/68/61/28/1426686128.db2.gz LLSJKFSUPJSDMT-HNAYVOBHSA-N -1 3 379.464 3.194 20 0 GGADHM CC[C@@H]1CN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c2ccccc2O1 ZINC000173612002 1426788119 /nfs/dbraw/zinc/78/81/19/1426788119.db2.gz ALMWNIBFZARRPJ-GFCCVEGCSA-N -1 3 399.472 3.257 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000173656914 1426812191 /nfs/dbraw/zinc/81/21/91/1426812191.db2.gz QSBSJXGWDXPYHZ-UHFFFAOYSA-N -1 3 381.354 3.049 20 0 GGADHM O=c1[nH]c2ccccc2cc1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826501412 1426832786 /nfs/dbraw/zinc/83/27/86/1426832786.db2.gz OXBICYOUVAFZJE-UHFFFAOYSA-N -1 3 384.443 3.410 20 0 GGADHM O=C(Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1)OCC(F)(F)F ZINC000173747195 1426838331 /nfs/dbraw/zinc/83/83/31/1426838331.db2.gz UCYVCJDMFSYAFJ-UHFFFAOYSA-N -1 3 397.235 3.187 20 0 GGADHM O=C(Nc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1)OCC(F)(F)F ZINC000173747195 1426838332 /nfs/dbraw/zinc/83/83/32/1426838332.db2.gz UCYVCJDMFSYAFJ-UHFFFAOYSA-N -1 3 397.235 3.187 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000173747590 1426838720 /nfs/dbraw/zinc/83/87/20/1426838720.db2.gz QLGRVXDYOWLHKL-LLVKDONJSA-N -1 3 399.373 3.071 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000173747590 1426838721 /nfs/dbraw/zinc/83/87/21/1426838721.db2.gz QLGRVXDYOWLHKL-LLVKDONJSA-N -1 3 399.373 3.071 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000826170105 1426852031 /nfs/dbraw/zinc/85/20/31/1426852031.db2.gz OLEBDLCDOAUAHD-KPZWWZAWSA-N -1 3 387.871 3.395 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000826170105 1426852037 /nfs/dbraw/zinc/85/20/37/1426852037.db2.gz OLEBDLCDOAUAHD-KPZWWZAWSA-N -1 3 387.871 3.395 20 0 GGADHM Brc1cccc2c1OCC[C@@H]2NCc1cccc(-c2nn[n-]n2)c1 ZINC000819688160 1426874553 /nfs/dbraw/zinc/87/45/53/1426874553.db2.gz DWYQFOSQZJYPQR-HNNXBMFYSA-N -1 3 386.253 3.243 20 0 GGADHM CCS[C@@H]1CC[C@H](N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000173868976 1426876742 /nfs/dbraw/zinc/87/67/42/1426876742.db2.gz VZECPIXMHFEDAI-NWDGAFQWSA-N -1 3 395.550 3.186 20 0 GGADHM C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824617237 1426909127 /nfs/dbraw/zinc/90/91/27/1426909127.db2.gz FPNHHZRCGUCCAY-MRXNPFEDSA-N -1 3 390.491 3.344 20 0 GGADHM C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824617237 1426909133 /nfs/dbraw/zinc/90/91/33/1426909133.db2.gz FPNHHZRCGUCCAY-MRXNPFEDSA-N -1 3 390.491 3.344 20 0 GGADHM Cc1ccc(CNCc2ccc(-c3nn[n-]n3)s2)c(OC[C@H]2CCCO2)c1 ZINC000822238389 1426911169 /nfs/dbraw/zinc/91/11/69/1426911169.db2.gz GFODETKZSASCEO-OAHLLOKOSA-N -1 3 385.493 3.084 20 0 GGADHM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000174007363 1426939392 /nfs/dbraw/zinc/93/93/92/1426939392.db2.gz NMELKPAGSWJCJB-UHFFFAOYSA-N -1 3 392.496 3.384 20 0 GGADHM COCCCOc1cccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000826157194 1426945078 /nfs/dbraw/zinc/94/50/78/1426945078.db2.gz KZNXLISYYKBVOV-UHFFFAOYSA-N -1 3 393.491 3.447 20 0 GGADHM COCCCOc1cccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826157194 1426945081 /nfs/dbraw/zinc/94/50/81/1426945081.db2.gz KZNXLISYYKBVOV-UHFFFAOYSA-N -1 3 393.491 3.447 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826412162 1426947283 /nfs/dbraw/zinc/94/72/83/1426947283.db2.gz DMSLYATWCLOSMP-LJQANCHMSA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826412162 1426947288 /nfs/dbraw/zinc/94/72/88/1426947288.db2.gz DMSLYATWCLOSMP-LJQANCHMSA-N -1 3 376.464 3.326 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000826253448 1426949057 /nfs/dbraw/zinc/94/90/57/1426949057.db2.gz QTEIPCGJWQHDGB-UHFFFAOYSA-N -1 3 391.475 3.131 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000826253448 1426949064 /nfs/dbraw/zinc/94/90/64/1426949064.db2.gz QTEIPCGJWQHDGB-UHFFFAOYSA-N -1 3 391.475 3.131 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCn4c(nnc4-c4ccccc4)C3)cc(=O)oc12 ZINC000174022981 1426950422 /nfs/dbraw/zinc/95/04/22/1426950422.db2.gz PWNYOSGZRLSEMW-UHFFFAOYSA-N -1 3 388.427 3.081 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)c1 ZINC000174033551 1426957315 /nfs/dbraw/zinc/95/73/15/1426957315.db2.gz PEGOURUYJSGVTR-GFCCVEGCSA-N -1 3 391.424 3.065 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000174037680 1426961110 /nfs/dbraw/zinc/96/11/10/1426961110.db2.gz NABZFTRNNIQUAH-VIFPVBQESA-N -1 3 393.387 3.305 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000174037692 1426961410 /nfs/dbraw/zinc/96/14/10/1426961410.db2.gz NABZFTRNNIQUAH-SECBINFHSA-N -1 3 393.387 3.305 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000174043103 1426966097 /nfs/dbraw/zinc/96/60/97/1426966097.db2.gz BAHZSCROMLWSAQ-NSHDSACASA-N -1 3 379.388 3.195 20 0 GGADHM Cc1ccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000174061775 1426981130 /nfs/dbraw/zinc/98/11/30/1426981130.db2.gz UPPVMFMFUBQDCG-UHFFFAOYSA-N -1 3 376.478 3.473 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)Cc1cccc(F)c1 ZINC000174064635 1426982817 /nfs/dbraw/zinc/98/28/17/1426982817.db2.gz RSOWXKNTZIJGEX-INIZCTEOSA-N -1 3 384.451 3.085 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)Cc1cccc(F)c1 ZINC000174063958 1426983006 /nfs/dbraw/zinc/98/30/06/1426983006.db2.gz YKGYOONLIJTOOB-INIZCTEOSA-N -1 3 384.451 3.085 20 0 GGADHM Cc1cc(C)cc(OCCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737257480 1427014219 /nfs/dbraw/zinc/01/42/19/1427014219.db2.gz UHSSGQJTPMPLPE-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM Cc1cc(C)cc(OCCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737257480 1427014223 /nfs/dbraw/zinc/01/42/23/1427014223.db2.gz UHSSGQJTPMPLPE-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM C[C@H](Sc1ncc(CO)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000174130864 1427015086 /nfs/dbraw/zinc/01/50/86/1427015086.db2.gz MELQSDKZWOHHAJ-VIFPVBQESA-N -1 3 388.474 3.324 20 0 GGADHM O=C(CCC1CCCCC1)[N-]OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000174145110 1427020796 /nfs/dbraw/zinc/02/07/96/1427020796.db2.gz RGPCMGIHQVPOAQ-LJQANCHMSA-N -1 3 392.471 3.134 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nc(C(F)(F)F)cs1 ZINC000174175423 1427033466 /nfs/dbraw/zinc/03/34/66/1427033466.db2.gz KDBCZKPSODTOJN-SNVBAGLBSA-N -1 3 398.366 3.318 20 0 GGADHM O=S(=O)([N-]c1cc(-n2nnnc2C2CC2)ccc1F)c1cccc(Cl)c1 ZINC000174251881 1427070140 /nfs/dbraw/zinc/07/01/40/1427070140.db2.gz HEJHZSWQQCTSCI-UHFFFAOYSA-N -1 3 393.831 3.133 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)c1 ZINC000174251633 1427070333 /nfs/dbraw/zinc/07/03/33/1427070333.db2.gz WXIQHQMJXRGEDQ-UHFFFAOYSA-N -1 3 387.440 3.096 20 0 GGADHM O=S(=O)([N-]c1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(Cl)cc1 ZINC000174252034 1427070839 /nfs/dbraw/zinc/07/08/39/1427070839.db2.gz MPWOEMLWGHOSTA-UHFFFAOYSA-N -1 3 393.831 3.133 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1F ZINC000174295749 1427089360 /nfs/dbraw/zinc/08/93/60/1427089360.db2.gz NXWYYEQXACDXFN-BBRMVZONSA-N -1 3 382.501 3.307 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1F ZINC000174295782 1427089563 /nfs/dbraw/zinc/08/95/63/1427089563.db2.gz NXWYYEQXACDXFN-XJKSGUPXSA-N -1 3 382.501 3.307 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc[nH]3)c2)cc1 ZINC000174313313 1427097392 /nfs/dbraw/zinc/09/73/92/1427097392.db2.gz HXJNTZKYMRXCKZ-UHFFFAOYSA-N -1 3 383.473 3.362 20 0 GGADHM CN(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000174328591 1427104126 /nfs/dbraw/zinc/10/41/26/1427104126.db2.gz QBGHAGZWWUWBKI-UHFFFAOYSA-N -1 3 389.521 3.285 20 0 GGADHM CN(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000174328110 1427104233 /nfs/dbraw/zinc/10/42/33/1427104233.db2.gz KAZXLCAGMSDGAK-UHFFFAOYSA-N -1 3 383.473 3.141 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)c1C ZINC000174328483 1427104325 /nfs/dbraw/zinc/10/43/25/1427104325.db2.gz NKMOEJRPSSCQQY-UHFFFAOYSA-N -1 3 389.521 3.221 20 0 GGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1 ZINC000174328736 1427104364 /nfs/dbraw/zinc/10/43/64/1427104364.db2.gz SZVIDNPYFHPGJA-UHFFFAOYSA-N -1 3 375.494 3.111 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1 ZINC000736129359 1427154936 /nfs/dbraw/zinc/15/49/36/1427154936.db2.gz DIBNYDIBRANANA-NEPJUHHUSA-N -1 3 382.493 3.095 20 0 GGADHM CCc1ccc([C@H](CNC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)N(C)C)cc1 ZINC000174452157 1427162307 /nfs/dbraw/zinc/16/23/07/1427162307.db2.gz OYIJIQWDWREZHR-NRFANRHFSA-N -1 3 392.503 3.069 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000820727923 1427185830 /nfs/dbraw/zinc/18/58/30/1427185830.db2.gz QTSJTTCZJJCMNA-COXVUDFISA-N -1 3 379.468 3.317 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822585762 1427228159 /nfs/dbraw/zinc/22/81/59/1427228159.db2.gz MTTSJKDTIOKPBU-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822585762 1427228175 /nfs/dbraw/zinc/22/81/75/1427228175.db2.gz MTTSJKDTIOKPBU-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM c1c(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c2ccccn12 ZINC000738444946 1427249875 /nfs/dbraw/zinc/24/98/75/1427249875.db2.gz AFMIHPDHQBCODQ-MRXNPFEDSA-N -1 3 388.431 3.185 20 0 GGADHM c1c(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c2ccccn12 ZINC000738444946 1427249881 /nfs/dbraw/zinc/24/98/81/1427249881.db2.gz AFMIHPDHQBCODQ-MRXNPFEDSA-N -1 3 388.431 3.185 20 0 GGADHM CC(=O)c1c(C)cc(C)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000174606841 1427257912 /nfs/dbraw/zinc/25/79/12/1427257912.db2.gz HXFDBEFDFYLPND-UHFFFAOYSA-N -1 3 380.488 3.478 20 0 GGADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174606979 1427257992 /nfs/dbraw/zinc/25/79/92/1427257992.db2.gz CUAGXRSWZXOXDO-QGZVFWFLSA-N -1 3 395.503 3.301 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c(=O)[n-]1 ZINC000174616741 1427264518 /nfs/dbraw/zinc/26/45/18/1427264518.db2.gz XXKWKNCRHSOTRB-UHFFFAOYSA-N -1 3 385.361 3.050 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)n2)c1 ZINC000174644367 1427284216 /nfs/dbraw/zinc/28/42/16/1427284216.db2.gz UTXLNKCSKJUYAR-GFCCVEGCSA-N -1 3 390.399 3.078 20 0 GGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)n1 ZINC000174646584 1427285478 /nfs/dbraw/zinc/28/54/78/1427285478.db2.gz ZBFDSVJCDNSCMQ-UHFFFAOYSA-N -1 3 391.522 3.306 20 0 GGADHM CCOc1ccccc1[C@@H](C)NCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000825654228 1427313009 /nfs/dbraw/zinc/31/30/09/1427313009.db2.gz SOMFDZOJQSVLIB-CQSZACIVSA-N -1 3 383.452 3.004 20 0 GGADHM CCOc1ccccc1[C@@H](C)NCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000825654228 1427313011 /nfs/dbraw/zinc/31/30/11/1427313011.db2.gz SOMFDZOJQSVLIB-CQSZACIVSA-N -1 3 383.452 3.004 20 0 GGADHM O=C1[C@H](N2CCC[C@@H]2c2cccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476976 1427316138 /nfs/dbraw/zinc/31/61/38/1427316138.db2.gz SRDMZCQKBNNBJN-IAGOWNOFSA-N -1 3 394.504 3.261 20 0 GGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)O1 ZINC000174705035 1427320384 /nfs/dbraw/zinc/32/03/84/1427320384.db2.gz VSJKEUYAYWOJDY-PWSUYJOCSA-N -1 3 394.415 3.363 20 0 GGADHM C[C@H](NCC(=O)Nc1ccccc1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824563692 1427342397 /nfs/dbraw/zinc/34/23/97/1427342397.db2.gz PNSGHJMKBUSXDL-AWEZNQCLSA-N -1 3 378.480 3.454 20 0 GGADHM C[C@H](NCC(=O)Nc1ccccc1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824563692 1427342403 /nfs/dbraw/zinc/34/24/03/1427342403.db2.gz PNSGHJMKBUSXDL-AWEZNQCLSA-N -1 3 378.480 3.454 20 0 GGADHM Cc1cc(C)cc([C@H](O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264478 1427406192 /nfs/dbraw/zinc/40/61/92/1427406192.db2.gz PXPLWCOOZXWYLN-OAQYLSRUSA-N -1 3 375.476 3.306 20 0 GGADHM Cc1cc(C)cc([C@H](O)CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264478 1427406197 /nfs/dbraw/zinc/40/61/97/1427406197.db2.gz PXPLWCOOZXWYLN-OAQYLSRUSA-N -1 3 375.476 3.306 20 0 GGADHM C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174875670 1427422009 /nfs/dbraw/zinc/42/20/09/1427422009.db2.gz JTFFHELQMOKPGN-CYBMUJFWSA-N -1 3 392.452 3.347 20 0 GGADHM CN1Cc2ccccc2[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826050764 1427426846 /nfs/dbraw/zinc/42/68/46/1427426846.db2.gz CQLYJDBBTISYAA-MRXNPFEDSA-N -1 3 385.269 3.228 20 0 GGADHM CN1Cc2ccccc2[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000826050764 1427426849 /nfs/dbraw/zinc/42/68/49/1427426849.db2.gz CQLYJDBBTISYAA-MRXNPFEDSA-N -1 3 385.269 3.228 20 0 GGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cn(CC(=O)C(C)(C)C)nn3)s2)c1 ZINC000174887032 1427428150 /nfs/dbraw/zinc/42/81/50/1427428150.db2.gz ZVAGYMQYVQGUHE-UHFFFAOYSA-N -1 3 398.492 3.281 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000174914943 1427443920 /nfs/dbraw/zinc/44/39/20/1427443920.db2.gz LXVIUGIBVCZWBT-UHFFFAOYSA-N -1 3 397.485 3.429 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000174917076 1427444950 /nfs/dbraw/zinc/44/49/50/1427444950.db2.gz FIWCXBKQYMEBBY-UHFFFAOYSA-N -1 3 391.456 3.391 20 0 GGADHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826433326 1427453488 /nfs/dbraw/zinc/45/34/88/1427453488.db2.gz BPHMVDVEDZIYMM-SFHVURJKSA-N -1 3 396.882 3.087 20 0 GGADHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826433326 1427453493 /nfs/dbraw/zinc/45/34/93/1427453493.db2.gz BPHMVDVEDZIYMM-SFHVURJKSA-N -1 3 396.882 3.087 20 0 GGADHM CCN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825399282 1427475913 /nfs/dbraw/zinc/47/59/13/1427475913.db2.gz OKRLJPRMVILWNA-CVEARBPZSA-N -1 3 392.507 3.441 20 0 GGADHM CCN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825399282 1427475918 /nfs/dbraw/zinc/47/59/18/1427475918.db2.gz OKRLJPRMVILWNA-CVEARBPZSA-N -1 3 392.507 3.441 20 0 GGADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821000803 1427480963 /nfs/dbraw/zinc/48/09/63/1427480963.db2.gz JTOOZUDGYSTKQF-ZIAGYGMSSA-N -1 3 389.891 3.001 20 0 GGADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821000803 1427480966 /nfs/dbraw/zinc/48/09/66/1427480966.db2.gz JTOOZUDGYSTKQF-ZIAGYGMSSA-N -1 3 389.891 3.001 20 0 GGADHM CCCOC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000175002938 1427490839 /nfs/dbraw/zinc/49/08/39/1427490839.db2.gz BYCNVWHSESSYTE-GOSISDBHSA-N -1 3 388.508 3.243 20 0 GGADHM CCN(Cc1cc2c(c(OC)c1)OCO2)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428426 1427492792 /nfs/dbraw/zinc/49/27/92/1427492792.db2.gz MNJUMCYVWLHFFT-ZDUSSCGKSA-N -1 3 381.436 3.187 20 0 GGADHM CCN(Cc1cc2c(c(OC)c1)OCO2)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428426 1427492794 /nfs/dbraw/zinc/49/27/94/1427492794.db2.gz MNJUMCYVWLHFFT-ZDUSSCGKSA-N -1 3 381.436 3.187 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(O)[C@@H](C)c3ccccc3)c2)n1 ZINC000175011172 1427495613 /nfs/dbraw/zinc/49/56/13/1427495613.db2.gz RMIJSOHXNLJYKR-WNSKOXEYSA-N -1 3 391.471 3.493 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(O)[C@H](C)c3ccccc3)c2)n1 ZINC000175011206 1427495664 /nfs/dbraw/zinc/49/56/64/1427495664.db2.gz RMIJSOHXNLJYKR-CMJOXMDJSA-N -1 3 391.471 3.493 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@](C)(O)[C@@H](C)c3ccccc3)c2)n1 ZINC000175011156 1427495849 /nfs/dbraw/zinc/49/58/49/1427495849.db2.gz RMIJSOHXNLJYKR-NPMXOYFQSA-N -1 3 391.471 3.493 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000175165315 1427576750 /nfs/dbraw/zinc/57/67/50/1427576750.db2.gz UKWANDZEYKICGX-UHFFFAOYSA-N -1 3 398.413 3.013 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccccn2)c(Cl)cc1Cl ZINC000175189621 1427590863 /nfs/dbraw/zinc/59/08/63/1427590863.db2.gz DDDQNYNSOFQFNK-VIFPVBQESA-N -1 3 389.260 3.215 20 0 GGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000175191006 1427591180 /nfs/dbraw/zinc/59/11/80/1427591180.db2.gz VEMGQUXAGODXOS-UHFFFAOYSA-N -1 3 386.471 3.374 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)CCCC2)no1 ZINC000175219302 1427610190 /nfs/dbraw/zinc/61/01/90/1427610190.db2.gz PILQLXPRAMYZMW-UHFFFAOYSA-N -1 3 389.399 3.453 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(CCc3ccccc3)ccn2)c(=O)[n-]1 ZINC000175226099 1427612861 /nfs/dbraw/zinc/61/28/61/1427612861.db2.gz LCYYWJCYVBFSKA-UHFFFAOYSA-N -1 3 376.460 3.138 20 0 GGADHM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000175242285 1427622637 /nfs/dbraw/zinc/62/26/37/1427622637.db2.gz QEQBIVBKSMPYGF-QGZVFWFLSA-N -1 3 389.814 3.352 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3)[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822541582 1427634664 /nfs/dbraw/zinc/63/46/64/1427634664.db2.gz OJCHMUXXIMXNHW-GRDNDAEWSA-N -1 3 394.479 3.282 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826188629 1427642047 /nfs/dbraw/zinc/64/20/47/1427642047.db2.gz BRLSKMXPIVTPSS-XEKQOVJPSA-N -1 3 385.443 3.441 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826188629 1427642050 /nfs/dbraw/zinc/64/20/50/1427642050.db2.gz BRLSKMXPIVTPSS-XEKQOVJPSA-N -1 3 385.443 3.441 20 0 GGADHM CCOCCOCc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1C ZINC000175296366 1427654268 /nfs/dbraw/zinc/65/42/68/1427654268.db2.gz AHWQJMLGIRDYTF-UHFFFAOYSA-N -1 3 381.432 3.037 20 0 GGADHM Cc1cc2cc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)oc2cc1C ZINC000175303710 1427663221 /nfs/dbraw/zinc/66/32/21/1427663221.db2.gz ROJDRVLQXKULRN-UHFFFAOYSA-N -1 3 378.428 3.353 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000175305280 1427664789 /nfs/dbraw/zinc/66/47/89/1427664789.db2.gz OJWSNNWKIGSDMC-INIZCTEOSA-N -1 3 384.451 3.085 20 0 GGADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1ccc2c(c1)OCCO2 ZINC000175316320 1427671900 /nfs/dbraw/zinc/67/19/00/1427671900.db2.gz MXCLJHKRPUSZQL-UHFFFAOYSA-N -1 3 390.321 3.017 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1)c1ccc(C)o1 ZINC000175348702 1427697056 /nfs/dbraw/zinc/69/70/56/1427697056.db2.gz LYSXCEZWRJBICF-QGZVFWFLSA-N -1 3 376.434 3.217 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c2ccccc21)c1ccc(C)o1 ZINC000175350952 1427698912 /nfs/dbraw/zinc/69/89/12/1427698912.db2.gz LAHMEIAVHIPCGF-INIZCTEOSA-N -1 3 375.446 3.416 20 0 GGADHM Cc1cc2cc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)oc2cc1C ZINC000175362716 1427706804 /nfs/dbraw/zinc/70/68/04/1427706804.db2.gz JKPVKJHJAKTOEV-UHFFFAOYSA-N -1 3 378.428 3.353 20 0 GGADHM c1cc(-c2nn[n-]n2)sc1CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000826519903 1427713927 /nfs/dbraw/zinc/71/39/27/1427713927.db2.gz SWMWEZSVEYXBLY-UHFFFAOYSA-N -1 3 393.476 3.358 20 0 GGADHM c1cc(-c2nnn[n-]2)sc1CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000826519903 1427713929 /nfs/dbraw/zinc/71/39/29/1427713929.db2.gz SWMWEZSVEYXBLY-UHFFFAOYSA-N -1 3 393.476 3.358 20 0 GGADHM COc1cccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1[O-] ZINC000175428726 1427749754 /nfs/dbraw/zinc/74/97/54/1427749754.db2.gz JMRRWAZFVYBGJW-OAHLLOKOSA-N -1 3 380.444 3.157 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826282943 1427750358 /nfs/dbraw/zinc/75/03/58/1427750358.db2.gz GTMJZJAJXWEMMW-KXBFYZLASA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826282943 1427750360 /nfs/dbraw/zinc/75/03/60/1427750360.db2.gz GTMJZJAJXWEMMW-KXBFYZLASA-N -1 3 376.464 3.021 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c(C)o1 ZINC000175588796 1427823679 /nfs/dbraw/zinc/82/36/79/1427823679.db2.gz HNJFFZYOYHYQPB-IAQYHMDHSA-N -1 3 392.477 3.017 20 0 GGADHM Brc1cccc(C2(NCc3ccnc(-c4nnn[n-]4)c3)CCC2)c1 ZINC000823832839 1427830644 /nfs/dbraw/zinc/83/06/44/1427830644.db2.gz WIXKWVLCZLQTKA-UHFFFAOYSA-N -1 3 385.269 3.193 20 0 GGADHM Brc1cccc(C2(NCc3ccnc(-c4nn[n-]n4)c3)CCC2)c1 ZINC000823832839 1427830653 /nfs/dbraw/zinc/83/06/53/1427830653.db2.gz WIXKWVLCZLQTKA-UHFFFAOYSA-N -1 3 385.269 3.193 20 0 GGADHM Cc1cccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1C ZINC000826296351 1427837651 /nfs/dbraw/zinc/83/76/51/1427837651.db2.gz SQKVGTOJRHSASC-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1cccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1C ZINC000826296351 1427837654 /nfs/dbraw/zinc/83/76/54/1427837654.db2.gz SQKVGTOJRHSASC-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c(C)o1 ZINC000175674473 1427852553 /nfs/dbraw/zinc/85/25/53/1427852553.db2.gz NEJAVSYXRMFJTR-INIZCTEOSA-N -1 3 382.457 3.152 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1nc(Cc2ccccc2)no1 ZINC000175709900 1427866674 /nfs/dbraw/zinc/86/66/74/1427866674.db2.gz ITJWGTKUKKHVJO-CQSZACIVSA-N -1 3 394.456 3.248 20 0 GGADHM Cc1sc(CCNC(=O)c2nnc3ccccc3c2[O-])nc1-c1ccccc1 ZINC000175755600 1427880075 /nfs/dbraw/zinc/88/00/75/1427880075.db2.gz IGSKSNJWRPGLJT-UHFFFAOYSA-N -1 3 390.468 3.328 20 0 GGADHM Cc1ccc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000175766049 1427884209 /nfs/dbraw/zinc/88/42/09/1427884209.db2.gz ZPPZAJQPFYZXKE-UHFFFAOYSA-N -1 3 387.867 3.169 20 0 GGADHM C[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824578063 1427884877 /nfs/dbraw/zinc/88/48/77/1427884877.db2.gz PWRSCMMGCXEXEQ-YVEFUNNKSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578063 1427884882 /nfs/dbraw/zinc/88/48/82/1427884882.db2.gz PWRSCMMGCXEXEQ-YVEFUNNKSA-N -1 3 382.855 3.364 20 0 GGADHM CCC[C@@H](C)[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000821013998 1427886646 /nfs/dbraw/zinc/88/66/46/1427886646.db2.gz AGIODTNVGGDSCR-RISCZKNCSA-N -1 3 376.530 3.384 20 0 GGADHM CCC[C@@H](C)[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821013998 1427886649 /nfs/dbraw/zinc/88/66/49/1427886649.db2.gz AGIODTNVGGDSCR-RISCZKNCSA-N -1 3 376.530 3.384 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(C)c1 ZINC000175779578 1427890097 /nfs/dbraw/zinc/89/00/97/1427890097.db2.gz LIQFXUMUFFDHIY-UHFFFAOYSA-N -1 3 382.432 3.115 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(NC(=O)C(C)C)cc2)c(F)cc1F ZINC000175782087 1427890568 /nfs/dbraw/zinc/89/05/68/1427890568.db2.gz NZCNLXDMPKKELB-UHFFFAOYSA-N -1 3 382.432 3.346 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)c(F)cc1F ZINC000175786231 1427892649 /nfs/dbraw/zinc/89/26/49/1427892649.db2.gz XOUVBBNCRGPKSF-LLVKDONJSA-N -1 3 380.416 3.197 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOC3=O)cc2)c(F)cc1F ZINC000175789670 1427893666 /nfs/dbraw/zinc/89/36/66/1427893666.db2.gz OQWHTNXSAZRHEJ-GFCCVEGCSA-N -1 3 396.415 3.269 20 0 GGADHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)C1 ZINC000175792230 1427894153 /nfs/dbraw/zinc/89/41/53/1427894153.db2.gz NZEQJPXKCUGFMG-AWEZNQCLSA-N -1 3 396.459 3.087 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2oc3ccccc3c2C)c(C)o1 ZINC000175803300 1427898677 /nfs/dbraw/zinc/89/86/77/1427898677.db2.gz GDILAJJDZGTAPL-NSHDSACASA-N -1 3 376.434 3.042 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000175804666 1427899396 /nfs/dbraw/zinc/89/93/96/1427899396.db2.gz UUJWPNIBZOEJEG-MRXNPFEDSA-N -1 3 397.450 3.357 20 0 GGADHM O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1nn(-c2ccccc2)cc1[O-] ZINC000175805312 1427900146 /nfs/dbraw/zinc/90/01/46/1427900146.db2.gz YIJVWKAITONBPB-MRXNPFEDSA-N -1 3 396.516 3.281 20 0 GGADHM CCc1nnc(-c2ccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc2)o1 ZINC000175810268 1427903103 /nfs/dbraw/zinc/90/31/03/1427903103.db2.gz YYUWHRUXDQPZJG-UHFFFAOYSA-N -1 3 394.431 3.072 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c(C)o1 ZINC000175815293 1427907512 /nfs/dbraw/zinc/90/75/12/1427907512.db2.gz ZRIIRZVURGLELB-QGZVFWFLSA-N -1 3 376.478 3.254 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)oc1C ZINC000175834272 1427918590 /nfs/dbraw/zinc/91/85/90/1427918590.db2.gz QLIVWWAZCDGOQF-NSHDSACASA-N -1 3 390.417 3.069 20 0 GGADHM Brc1ccc(C2(NCc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000819688839 1427927154 /nfs/dbraw/zinc/92/71/54/1427927154.db2.gz OICVLNSJLUYKEW-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM Brc1ccc(C2(NCc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000819688839 1427927158 /nfs/dbraw/zinc/92/71/58/1427927158.db2.gz OICVLNSJLUYKEW-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1F ZINC000175856241 1427935560 /nfs/dbraw/zinc/93/55/60/1427935560.db2.gz KDMDOBHWYJGZCD-UHFFFAOYSA-N -1 3 394.321 3.144 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCCC(C)C)c2)c(C)o1 ZINC000175878494 1427947907 /nfs/dbraw/zinc/94/79/07/1427947907.db2.gz YVOIUSFZRUWZQF-UHFFFAOYSA-N -1 3 380.466 3.173 20 0 GGADHM CN1CCN(c2ccc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)CC1 ZINC000826045417 1427947909 /nfs/dbraw/zinc/94/79/09/1427947909.db2.gz VXJLATSDGVBADC-OAQYLSRUSA-N -1 3 389.507 3.108 20 0 GGADHM CN1CCN(c2ccc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2)CC1 ZINC000826045417 1427947915 /nfs/dbraw/zinc/94/79/15/1427947915.db2.gz VXJLATSDGVBADC-OAQYLSRUSA-N -1 3 389.507 3.108 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)ccc1F ZINC000175885318 1427951328 /nfs/dbraw/zinc/95/13/28/1427951328.db2.gz BZEMXYUPQQEAMX-AWEZNQCLSA-N -1 3 390.480 3.175 20 0 GGADHM O[C@@H](CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1)c1cccs1 ZINC000826502636 1427961483 /nfs/dbraw/zinc/96/14/83/1427961483.db2.gz HNEAUQPKBWBIEJ-INIZCTEOSA-N -1 3 381.461 3.257 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1F ZINC000175908533 1427965332 /nfs/dbraw/zinc/96/53/32/1427965332.db2.gz RNKNGCDDASSNRZ-HNNXBMFYSA-N -1 3 380.441 3.084 20 0 GGADHM CCCn1ccc2cc(NC(=O)c3cc(S(=O)(=O)[N-]C)oc3C)ccc21 ZINC000175917012 1427970288 /nfs/dbraw/zinc/97/02/88/1427970288.db2.gz TZNWFXZLHCKWBU-UHFFFAOYSA-N -1 3 375.450 3.113 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737269680 1427975161 /nfs/dbraw/zinc/97/51/61/1427975161.db2.gz GPJWBACKLULVBC-KBXCAEBGSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737269680 1427975165 /nfs/dbraw/zinc/97/51/65/1427975165.db2.gz GPJWBACKLULVBC-KBXCAEBGSA-N -1 3 394.454 3.160 20 0 GGADHM CC[C@@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000736322965 1427985693 /nfs/dbraw/zinc/98/56/93/1427985693.db2.gz SIEIWXLBEDKROQ-CYBMUJFWSA-N -1 3 387.532 3.459 20 0 GGADHM CC[C@@H](C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000736322965 1427985697 /nfs/dbraw/zinc/98/56/97/1427985697.db2.gz SIEIWXLBEDKROQ-CYBMUJFWSA-N -1 3 387.532 3.459 20 0 GGADHM C[C@](CO)(NCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736039015 1428016643 /nfs/dbraw/zinc/01/66/43/1428016643.db2.gz YXBHEUJUCVTJOW-QGZVFWFLSA-N -1 3 395.360 3.022 20 0 GGADHM C[C@](CO)(NCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000736039015 1428016649 /nfs/dbraw/zinc/01/66/49/1428016649.db2.gz YXBHEUJUCVTJOW-QGZVFWFLSA-N -1 3 395.360 3.022 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CC[C@@H](C)[C@H]1C ZINC000820717108 1428019433 /nfs/dbraw/zinc/01/94/33/1428019433.db2.gz NWGFKABPJYWEJX-UPJWGTAASA-N -1 3 388.541 3.254 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CC[C@@H](C)[C@H]1C ZINC000820717108 1428019439 /nfs/dbraw/zinc/01/94/39/1428019439.db2.gz NWGFKABPJYWEJX-UPJWGTAASA-N -1 3 388.541 3.254 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c(C)o1 ZINC000176001132 1428021787 /nfs/dbraw/zinc/02/17/87/1428021787.db2.gz IIRNWBUHVRZFNL-KRWDZBQOSA-N -1 3 396.896 3.421 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000176028566 1428034679 /nfs/dbraw/zinc/03/46/79/1428034679.db2.gz MHEOKOFXDOISBQ-UHFFFAOYSA-N -1 3 395.488 3.252 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSc2ccccc21 ZINC000820411231 1428039799 /nfs/dbraw/zinc/03/97/99/1428039799.db2.gz HLARZKFSKNFGBU-KBPBESRZSA-N -1 3 394.504 3.045 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSc2ccccc21 ZINC000820411231 1428039804 /nfs/dbraw/zinc/03/98/04/1428039804.db2.gz HLARZKFSKNFGBU-KBPBESRZSA-N -1 3 394.504 3.045 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000820563602 1428052716 /nfs/dbraw/zinc/05/27/16/1428052716.db2.gz SBAAAYZUJXYEGY-MRXNPFEDSA-N -1 3 385.475 3.298 20 0 GGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000820563602 1428052720 /nfs/dbraw/zinc/05/27/20/1428052720.db2.gz SBAAAYZUJXYEGY-MRXNPFEDSA-N -1 3 385.475 3.298 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)N(C)C)cc1 ZINC000825704870 1428069431 /nfs/dbraw/zinc/06/94/31/1428069431.db2.gz OSIRJULNHCEMHV-GOSISDBHSA-N -1 3 398.898 3.115 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)N(C)C)cc1 ZINC000825704870 1428069436 /nfs/dbraw/zinc/06/94/36/1428069436.db2.gz OSIRJULNHCEMHV-GOSISDBHSA-N -1 3 398.898 3.115 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c(C)o1 ZINC000176120967 1428095631 /nfs/dbraw/zinc/09/56/31/1428095631.db2.gz BZOXWAZZBLJNFZ-OAHLLOKOSA-N -1 3 380.466 3.155 20 0 GGADHM C/C(=C\C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000176132223 1428106004 /nfs/dbraw/zinc/10/60/04/1428106004.db2.gz OZMSSYIOWQRKLP-FYWRMAATSA-N -1 3 384.863 3.434 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3cccs3)CCCCC2)c(C)o1 ZINC000176135113 1428109270 /nfs/dbraw/zinc/10/92/70/1428109270.db2.gz PYCISMNGHZWQEH-UHFFFAOYSA-N -1 3 396.534 3.190 20 0 GGADHM CCCC[C@@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825266794 1428124818 /nfs/dbraw/zinc/12/48/18/1428124818.db2.gz HJUFLLAHEJDLIX-LJQANCHMSA-N -1 3 394.479 3.335 20 0 GGADHM CCCC[C@@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825266794 1428124819 /nfs/dbraw/zinc/12/48/19/1428124819.db2.gz HJUFLLAHEJDLIX-LJQANCHMSA-N -1 3 394.479 3.335 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)c(C)o1 ZINC000176169304 1428134857 /nfs/dbraw/zinc/13/48/57/1428134857.db2.gz YTBHCURRQSLWLJ-QGZVFWFLSA-N -1 3 376.478 3.172 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c(C)o1 ZINC000176183382 1428147095 /nfs/dbraw/zinc/14/70/95/1428147095.db2.gz DTAQABNCQPVBJR-NCAQKEMTSA-N -1 3 396.896 3.277 20 0 GGADHM O[C@@H](C[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC000826503370 1428149793 /nfs/dbraw/zinc/14/97/93/1428149793.db2.gz WAWBWXYPBRAJJY-HKUYNNGSSA-N -1 3 385.418 3.233 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c(C)o1 ZINC000176206186 1428166563 /nfs/dbraw/zinc/16/65/63/1428166563.db2.gz HCVBSGMPQFDHFM-XHDPSFHLSA-N -1 3 380.466 3.011 20 0 GGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176206270 1428166882 /nfs/dbraw/zinc/16/68/82/1428166882.db2.gz CEVOGUAJZGPLFG-MLGOLLRUSA-N -1 3 394.493 3.265 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c(C)o1 ZINC000176206169 1428167151 /nfs/dbraw/zinc/16/71/51/1428167151.db2.gz HCVBSGMPQFDHFM-NHYWBVRUSA-N -1 3 380.466 3.011 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c(C)o1 ZINC000176212532 1428171415 /nfs/dbraw/zinc/17/14/15/1428171415.db2.gz NCIOKAPALSENSW-CYBMUJFWSA-N -1 3 399.472 3.049 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2ccccc2OC)c(C)o1 ZINC000176214553 1428172146 /nfs/dbraw/zinc/17/21/46/1428172146.db2.gz VNRJKSPBDZKOAY-MRXNPFEDSA-N -1 3 394.493 3.022 20 0 GGADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000180172281 1429780089 /nfs/dbraw/zinc/78/00/89/1429780089.db2.gz ZTTZPTOJHKYYIO-CYBMUJFWSA-N -1 3 380.452 3.323 20 0 GGADHM CC(C)(C)C[C@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180186115 1429789392 /nfs/dbraw/zinc/78/93/92/1429789392.db2.gz MMTYKZPHVURERM-QUCCMNQESA-N -1 3 398.503 3.167 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000180184291 1429789504 /nfs/dbraw/zinc/78/95/04/1429789504.db2.gz XYVGQAIZPNMWCV-CYBMUJFWSA-N -1 3 397.230 3.333 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000180184272 1429789575 /nfs/dbraw/zinc/78/95/75/1429789575.db2.gz XYVGQAIZPNMWCV-ZDUSSCGKSA-N -1 3 397.230 3.333 20 0 GGADHM CC(C)(C)C[C@@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180186132 1429790099 /nfs/dbraw/zinc/79/00/99/1429790099.db2.gz MMTYKZPHVURERM-AZUAARDMSA-N -1 3 398.503 3.167 20 0 GGADHM O=C(CCCCNC(=O)c1c[n-]c2ccccc2c1=O)OCc1ccccc1 ZINC000180269052 1429819709 /nfs/dbraw/zinc/81/97/09/1429819709.db2.gz IXHAIHAJVUSVNU-UHFFFAOYSA-N -1 3 378.428 3.172 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c(C)o1 ZINC000180308585 1429832151 /nfs/dbraw/zinc/83/21/51/1429832151.db2.gz RPBDUIKQXHPDFM-UHFFFAOYSA-N -1 3 388.489 3.042 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC000180384185 1429852467 /nfs/dbraw/zinc/85/24/67/1429852467.db2.gz WKXKVBJDWXEVNV-UHFFFAOYSA-N -1 3 391.147 3.023 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1c(F)c(F)c(F)c(F)c1F ZINC000180384390 1429852585 /nfs/dbraw/zinc/85/25/85/1429852585.db2.gz XPZRRADCXASQLZ-UHFFFAOYSA-N -1 3 398.397 3.067 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000738178230 1429855435 /nfs/dbraw/zinc/85/54/35/1429855435.db2.gz HVOLZLYDKSLGSL-IBGZPJMESA-N -1 3 391.479 3.215 20 0 GGADHM O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180414262 1429862159 /nfs/dbraw/zinc/86/21/59/1429862159.db2.gz XSRRYGXYVFWWSC-UHFFFAOYSA-N -1 3 379.382 3.200 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCN(CC)C(=O)OC(C)(C)C)nc2)n1 ZINC000180434581 1429868665 /nfs/dbraw/zinc/86/86/65/1429868665.db2.gz ISDBWUJPYUMQLC-UHFFFAOYSA-N -1 3 387.484 3.063 20 0 GGADHM CCCn1cc(C(=O)[N-]NC(=O)CCCOc2ccc(Cl)cc2Cl)cn1 ZINC000180445993 1429870882 /nfs/dbraw/zinc/87/08/82/1429870882.db2.gz XXGBXLSKFJCNRH-UHFFFAOYSA-N -1 3 399.278 3.220 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826341654 1429902852 /nfs/dbraw/zinc/90/28/52/1429902852.db2.gz MSUHEZDZJAOPJQ-PXAZEXFGSA-N -1 3 380.452 3.144 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826341654 1429902854 /nfs/dbraw/zinc/90/28/54/1429902854.db2.gz MSUHEZDZJAOPJQ-PXAZEXFGSA-N -1 3 380.452 3.144 20 0 GGADHM CC(C)Oc1cccc([C@H](O)CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824334246 1429903024 /nfs/dbraw/zinc/90/30/24/1429903024.db2.gz SWOUVCFLTQUCOS-BFUOFWGJSA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1cccc([C@H](O)CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824334246 1429903025 /nfs/dbraw/zinc/90/30/25/1429903025.db2.gz SWOUVCFLTQUCOS-BFUOFWGJSA-N -1 3 385.443 3.177 20 0 GGADHM C[C@H]1SCCN(CCOc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000736303926 1429908545 /nfs/dbraw/zinc/90/85/45/1429908545.db2.gz UONKHLRWNOVKOG-DNVCBOLYSA-N -1 3 381.505 3.424 20 0 GGADHM C[C@H]1SCCN(CCOc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000736303926 1429908548 /nfs/dbraw/zinc/90/85/48/1429908548.db2.gz UONKHLRWNOVKOG-DNVCBOLYSA-N -1 3 381.505 3.424 20 0 GGADHM O=C([N-]CCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1)C(F)(F)F ZINC000180608524 1429931038 /nfs/dbraw/zinc/93/10/38/1429931038.db2.gz FFOMCNMRSBVXDB-AWEZNQCLSA-N -1 3 382.386 3.332 20 0 GGADHM COc1cc(OC)cc(N2CC[C@H](N(C)Cc3cccc(Cl)c3[O-])C2=O)c1 ZINC000180627048 1429940580 /nfs/dbraw/zinc/94/05/80/1429940580.db2.gz BOGTZGMHMRWWEC-SFHVURJKSA-N -1 3 390.867 3.300 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 ZINC000180713307 1429994633 /nfs/dbraw/zinc/99/46/33/1429994633.db2.gz ICKMIKPRXSBCNQ-UHFFFAOYSA-N -1 3 389.887 3.056 20 0 GGADHM O=C(CC1CCC(C(F)(F)F)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000180722183 1430000885 /nfs/dbraw/zinc/00/08/85/1430000885.db2.gz YHAVXNKDUCVSSY-UHFFFAOYSA-N -1 3 398.425 3.435 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180728761 1430003951 /nfs/dbraw/zinc/00/39/51/1430003951.db2.gz DPGOYVYRUZKHPW-IRXDYDNUSA-N -1 3 389.370 3.193 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000180840900 1430065944 /nfs/dbraw/zinc/06/59/44/1430065944.db2.gz NQBBSJTVBQXHCX-UHFFFAOYSA-N -1 3 395.484 3.179 20 0 GGADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)N1CCc2sccc2C1 ZINC000736025619 1430072431 /nfs/dbraw/zinc/07/24/31/1430072431.db2.gz IPKHJMZLMCNNLX-ZDUSSCGKSA-N -1 3 391.504 3.335 20 0 GGADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)N1CCc2sccc2C1 ZINC000736025619 1430072437 /nfs/dbraw/zinc/07/24/37/1430072437.db2.gz IPKHJMZLMCNNLX-ZDUSSCGKSA-N -1 3 391.504 3.335 20 0 GGADHM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1c([O-])cccc1O ZINC000180860629 1430074062 /nfs/dbraw/zinc/07/40/62/1430074062.db2.gz WMSNNBSADSGKEU-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000180877923 1430084251 /nfs/dbraw/zinc/08/42/51/1430084251.db2.gz IVRUFLWQSIJKOA-UHFFFAOYSA-N -1 3 375.747 3.349 20 0 GGADHM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821000802 1430099574 /nfs/dbraw/zinc/09/95/74/1430099574.db2.gz JTOOZUDGYSTKQF-UONOGXRCSA-N -1 3 389.891 3.001 20 0 GGADHM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821000802 1430099578 /nfs/dbraw/zinc/09/95/78/1430099578.db2.gz JTOOZUDGYSTKQF-UONOGXRCSA-N -1 3 389.891 3.001 20 0 GGADHM COc1cc(Br)ccc1CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826177073 1430109446 /nfs/dbraw/zinc/10/94/46/1430109446.db2.gz QJRQCBTUSBHROG-LLVKDONJSA-N -1 3 388.269 3.489 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)[n-]n1 ZINC000180922901 1430117059 /nfs/dbraw/zinc/11/70/59/1430117059.db2.gz JINZGVGCHFWMGL-UHFFFAOYSA-N -1 3 387.399 3.449 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)n[n-]1 ZINC000180922901 1430117072 /nfs/dbraw/zinc/11/70/72/1430117072.db2.gz JINZGVGCHFWMGL-UHFFFAOYSA-N -1 3 387.399 3.449 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@]12CCCN(Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001139850463 1430118728 /nfs/dbraw/zinc/11/87/28/1430118728.db2.gz AUUIGCIGMOQMKR-NRFANRHFSA-N -1 3 398.511 3.232 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc(OC)c1[O-] ZINC000180946807 1430129568 /nfs/dbraw/zinc/12/95/68/1430129568.db2.gz BAEBWVOIBSCKNK-CQSZACIVSA-N -1 3 376.840 3.072 20 0 GGADHM CCOc1cc(Cl)ccc1C(=O)N[N-]C(=O)c1ccc(CN(CC)CC)o1 ZINC000180949235 1430130509 /nfs/dbraw/zinc/13/05/09/1430130509.db2.gz MAWWILFLQIEVBX-UHFFFAOYSA-N -1 3 393.871 3.248 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139855025 1430136537 /nfs/dbraw/zinc/13/65/37/1430136537.db2.gz RLQXOTUAYXANBO-NJAFHUGGSA-N -1 3 383.496 3.342 20 0 GGADHM C[C@H]1CN(CCCCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820760641 1430159664 /nfs/dbraw/zinc/15/96/64/1430159664.db2.gz RJUHDXGOEQUSJN-STQMWFEESA-N -1 3 398.433 3.187 20 0 GGADHM C[C@H]1CN(CCCCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820760641 1430159666 /nfs/dbraw/zinc/15/96/66/1430159666.db2.gz RJUHDXGOEQUSJN-STQMWFEESA-N -1 3 398.433 3.187 20 0 GGADHM O=C(Nc1ncccc1[O-])c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000181002301 1430161677 /nfs/dbraw/zinc/16/16/77/1430161677.db2.gz JLGMEKCYMFSCIN-UHFFFAOYSA-N -1 3 383.717 3.292 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194417 1430187344 /nfs/dbraw/zinc/18/73/44/1430187344.db2.gz WQRMMDASOOHVSC-CVEARBPZSA-N -1 3 378.480 3.470 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194417 1430187349 /nfs/dbraw/zinc/18/73/49/1430187349.db2.gz WQRMMDASOOHVSC-CVEARBPZSA-N -1 3 378.480 3.470 20 0 GGADHM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2C1 ZINC000181072536 1430197818 /nfs/dbraw/zinc/19/78/18/1430197818.db2.gz ZQPHRMSDDUBMOJ-UHFFFAOYSA-N -1 3 388.489 3.230 20 0 GGADHM C[C@@H]1COCCCN1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825006299 1430203681 /nfs/dbraw/zinc/20/36/81/1430203681.db2.gz ILQBSLHIPQVVMF-MRXNPFEDSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H]1COCCCN1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825006299 1430203684 /nfs/dbraw/zinc/20/36/84/1430203684.db2.gz ILQBSLHIPQVVMF-MRXNPFEDSA-N -1 3 379.464 3.057 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c(C)c1F ZINC000181122289 1430217714 /nfs/dbraw/zinc/21/77/14/1430217714.db2.gz KWNOSSFMPQXVKP-UHFFFAOYSA-N -1 3 378.425 3.292 20 0 GGADHM Cc1ccc(-c2csc3[n-]c(-c4cccc(OCCO)n4)nc(=O)c23)cc1 ZINC000181153150 1430229520 /nfs/dbraw/zinc/22/95/20/1430229520.db2.gz KEGYJPAMUKXVCH-UHFFFAOYSA-N -1 3 379.441 3.393 20 0 GGADHM COc1ccc(-n2cc([O-])c(C(=O)Nc3cc(CN(C)C)ccc3C)n2)cc1 ZINC000181161567 1430232670 /nfs/dbraw/zinc/23/26/70/1430232670.db2.gz GWKVKQZCEQXQFN-UHFFFAOYSA-N -1 3 380.448 3.209 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cnc1Br ZINC000181175631 1430238042 /nfs/dbraw/zinc/23/80/42/1430238042.db2.gz QLLRCTXJHXTALV-UHFFFAOYSA-N -1 3 389.246 3.112 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)cc1 ZINC000181188448 1430242244 /nfs/dbraw/zinc/24/22/44/1430242244.db2.gz LCEWJBMCFIOLPP-UHFFFAOYSA-N -1 3 378.519 3.354 20 0 GGADHM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc([O-])cc2F)CC1 ZINC000181197054 1430245878 /nfs/dbraw/zinc/24/58/78/1430245878.db2.gz NYSLQVIHHGBQDF-AWEZNQCLSA-N -1 3 389.446 3.303 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000181200279 1430246275 /nfs/dbraw/zinc/24/62/75/1430246275.db2.gz BWGUPKBVMMCGQZ-LLVKDONJSA-N -1 3 381.398 3.086 20 0 GGADHM C[C@H](CCCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000181299931 1430266659 /nfs/dbraw/zinc/26/66/59/1430266659.db2.gz IENOLUSARPGVEC-GOSISDBHSA-N -1 3 380.488 3.336 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000181332122 1430275216 /nfs/dbraw/zinc/27/52/16/1430275216.db2.gz JUUBDEUWAMGSLK-UHFFFAOYSA-N -1 3 389.868 3.200 20 0 GGADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])nn1-c1ccccc1Cl ZINC000181335146 1430275731 /nfs/dbraw/zinc/27/57/31/1430275731.db2.gz JTAUYGIJMZDGAR-UHFFFAOYSA-N -1 3 379.807 3.323 20 0 GGADHM CN(Cc1ccccc1)Cc1cccc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000181591226 1430324464 /nfs/dbraw/zinc/32/44/64/1430324464.db2.gz ZEFMOSJRLFHIMB-UHFFFAOYSA-N -1 3 386.517 3.178 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1)C1CC1 ZINC000181671047 1430338953 /nfs/dbraw/zinc/33/89/53/1430338953.db2.gz CSHWMOKXNMOJFS-UHFFFAOYSA-N -1 3 396.415 3.480 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181706126 1430344407 /nfs/dbraw/zinc/34/44/07/1430344407.db2.gz UBZFMILBXHFPTN-LBPRGKRZSA-N -1 3 381.810 3.402 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1cc(F)ccc1OCC(F)(F)F)c2[O-] ZINC000181743853 1430351362 /nfs/dbraw/zinc/35/13/62/1430351362.db2.gz WADPNLYSNIWPCP-UHFFFAOYSA-N -1 3 384.289 3.006 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nnnn3C3CC3)c2)cc1C ZINC000181798517 1430362892 /nfs/dbraw/zinc/36/28/92/1430362892.db2.gz UCRAZWRVOLSLST-UHFFFAOYSA-N -1 3 399.476 3.101 20 0 GGADHM Cc1ccc(C[C@@H](C)C(=O)NN=c2[n-]c(Br)cn3ccnc23)cc1 ZINC000181802505 1430363621 /nfs/dbraw/zinc/36/36/21/1430363621.db2.gz FUVGYNYWGIWOBQ-GFCCVEGCSA-N -1 3 388.269 3.122 20 0 GGADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181845570 1430371270 /nfs/dbraw/zinc/37/12/70/1430371270.db2.gz QDIZZROUHJUHKL-UHFFFAOYSA-N -1 3 380.326 3.344 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)n[n-]2)o1 ZINC000181876030 1430375883 /nfs/dbraw/zinc/37/58/83/1430375883.db2.gz KXUOSIOORYDMMI-INIZCTEOSA-N -1 3 395.463 3.465 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)n[n-]2)o1 ZINC000181879092 1430376424 /nfs/dbraw/zinc/37/64/24/1430376424.db2.gz BKPGWFCFLXPIBM-MRXNPFEDSA-N -1 3 381.436 3.075 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)n[n-]2)o1 ZINC000181879071 1430376427 /nfs/dbraw/zinc/37/64/27/1430376427.db2.gz BKPGWFCFLXPIBM-INIZCTEOSA-N -1 3 381.436 3.075 20 0 GGADHM COCCOc1ccc(Cl)cc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181888178 1430378074 /nfs/dbraw/zinc/37/80/74/1430378074.db2.gz KIVLXCYJXMJGKI-UHFFFAOYSA-N -1 3 376.800 3.304 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)n[n-]2)o1 ZINC000181888599 1430378325 /nfs/dbraw/zinc/37/83/25/1430378325.db2.gz JZNYNITVMQSESU-KRWDZBQOSA-N -1 3 379.420 3.065 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c(=O)[n-]1 ZINC000182021860 1430397964 /nfs/dbraw/zinc/39/79/64/1430397964.db2.gz MQACIRSEIDLNDW-INIZCTEOSA-N -1 3 375.856 3.003 20 0 GGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000182053266 1430402505 /nfs/dbraw/zinc/40/25/05/1430402505.db2.gz BCTXYXIRAMXNBO-IAGOWNOFSA-N -1 3 386.496 3.264 20 0 GGADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000182053627 1430402714 /nfs/dbraw/zinc/40/27/14/1430402714.db2.gz DREDGIXFWSUMAD-UHFFFAOYSA-N -1 3 382.379 3.161 20 0 GGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000182053219 1430402785 /nfs/dbraw/zinc/40/27/85/1430402785.db2.gz BCTXYXIRAMXNBO-SJORKVTESA-N -1 3 386.496 3.264 20 0 GGADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000182080180 1430407582 /nfs/dbraw/zinc/40/75/82/1430407582.db2.gz QXPOTLLQKNGUGR-YPMHNXCESA-N -1 3 376.544 3.143 20 0 GGADHM COc1cc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc(OC)c1[O-] ZINC000182083740 1430408186 /nfs/dbraw/zinc/40/81/86/1430408186.db2.gz ZJPYTAJOXAVCER-UHFFFAOYSA-N -1 3 399.369 3.102 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@](C)(O)c3ccccc3)c2)n1 ZINC000182097908 1430411289 /nfs/dbraw/zinc/41/12/89/1430411289.db2.gz RZBFGRMDKFCNDR-JOCHJYFZSA-N -1 3 377.444 3.236 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@](C)(O)c3ccccc3)c2)n1 ZINC000182097884 1430411400 /nfs/dbraw/zinc/41/14/00/1430411400.db2.gz RZBFGRMDKFCNDR-QFIPXVFZSA-N -1 3 377.444 3.236 20 0 GGADHM COCCC[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000182201680 1430429125 /nfs/dbraw/zinc/42/91/25/1430429125.db2.gz BTAQDHIVNUADMG-ZDUSSCGKSA-N -1 3 382.888 3.285 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182288177 1430443072 /nfs/dbraw/zinc/44/30/72/1430443072.db2.gz SAECMFHLXHVUNA-UHFFFAOYSA-N -1 3 379.210 3.379 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCCc3cccc(C)c3)[n-]c(=O)c12 ZINC000182318377 1430447557 /nfs/dbraw/zinc/44/75/57/1430447557.db2.gz CKMOTHICOJMZCI-UHFFFAOYSA-N -1 3 383.473 3.446 20 0 GGADHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)[n-]1 ZINC000182332009 1430449697 /nfs/dbraw/zinc/44/96/97/1430449697.db2.gz FBQOGAHYYHOFOL-UHFFFAOYSA-N -1 3 381.723 3.116 20 0 GGADHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(C(F)(F)F)n[n-]1 ZINC000182332009 1430449699 /nfs/dbraw/zinc/44/96/99/1430449699.db2.gz FBQOGAHYYHOFOL-UHFFFAOYSA-N -1 3 381.723 3.116 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc3nc(-c4ccccn4)oc3c1)c2[O-] ZINC000182355055 1430452660 /nfs/dbraw/zinc/45/26/60/1430452660.db2.gz MKGALVXAHKJAEK-UHFFFAOYSA-N -1 3 386.371 3.129 20 0 GGADHM CCCNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000182445885 1430468879 /nfs/dbraw/zinc/46/88/79/1430468879.db2.gz RXZQWPYZIZKMFM-UHFFFAOYSA-N -1 3 399.875 3.461 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccsc1)c1ccc(Cl)cc1C(F)(F)F ZINC000182465838 1430472311 /nfs/dbraw/zinc/47/23/11/1430472311.db2.gz XYHWAESJTXMERH-LLVKDONJSA-N -1 3 385.816 3.432 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000182476828 1430473995 /nfs/dbraw/zinc/47/39/95/1430473995.db2.gz RPCLGKBMPBIQOS-UHFFFAOYSA-N -1 3 397.748 3.483 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nn1-c1ccccc1Cl ZINC000182505250 1430479615 /nfs/dbraw/zinc/47/96/15/1430479615.db2.gz LJHXRQMNRUQAJZ-UHFFFAOYSA-N -1 3 385.855 3.106 20 0 GGADHM O=C(CCc1ccc2[nH]ccc2c1)NN=c1[n-]c(Br)cn2ccnc12 ZINC000182564441 1430493265 /nfs/dbraw/zinc/49/32/65/1430493265.db2.gz QUSJGUGPBIMSLA-UHFFFAOYSA-N -1 3 399.252 3.049 20 0 GGADHM CN(C)C(=O)CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000182592307 1430498761 /nfs/dbraw/zinc/49/87/61/1430498761.db2.gz MQXGAIOKGUPGQC-UHFFFAOYSA-N -1 3 380.488 3.314 20 0 GGADHM COc1ccc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1[N-]S(C)(=O)=O ZINC000182728358 1430528058 /nfs/dbraw/zinc/52/80/58/1430528058.db2.gz STUKCGVRNRGSLT-GFCCVEGCSA-N -1 3 379.438 3.456 20 0 GGADHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccc4n[n-]nc43)c2)cc1 ZINC000182731741 1430529059 /nfs/dbraw/zinc/52/90/59/1430529059.db2.gz GPQYRCWCHXCBPH-UHFFFAOYSA-N -1 3 385.427 3.449 20 0 GGADHM CCc1ccc(CCNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000182748838 1430532989 /nfs/dbraw/zinc/53/29/89/1430532989.db2.gz ATGKZXQSPJMGTI-UHFFFAOYSA-N -1 3 393.443 3.476 20 0 GGADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1N1CCOCC1 ZINC000182796695 1430541685 /nfs/dbraw/zinc/54/16/85/1430541685.db2.gz UBJNTMNPDDJWIR-UHFFFAOYSA-N -1 3 395.434 3.373 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(OC)c(Cl)c2)o1 ZINC000182826564 1430548287 /nfs/dbraw/zinc/54/82/87/1430548287.db2.gz VMYAGJWAHWZZOK-UHFFFAOYSA-N -1 3 394.859 3.250 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000182901061 1430566655 /nfs/dbraw/zinc/56/66/55/1430566655.db2.gz MBUNYVHVIKBLLA-UHFFFAOYSA-N -1 3 397.353 3.355 20 0 GGADHM CC(C)OCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182926197 1430573676 /nfs/dbraw/zinc/57/36/76/1430573676.db2.gz UWYQBYWJXKOSDU-FQEVSTJZSA-N -1 3 384.476 3.185 20 0 GGADHM CC(C)(C)[C@H](CCO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182981367 1430585038 /nfs/dbraw/zinc/58/50/38/1430585038.db2.gz GKTFJSHLXCBQSE-UXHICEINSA-N -1 3 398.503 3.167 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cccc(Cl)c2F)o1 ZINC000183004007 1430590393 /nfs/dbraw/zinc/59/03/93/1430590393.db2.gz GLHMBRDFJFXKKW-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 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ANWFKMWQRBKJRS-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)n[n-]1 ZINC000183276368 1430667557 /nfs/dbraw/zinc/66/75/57/1430667557.db2.gz ANWFKMWQRBKJRS-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)[n-]n1 ZINC000183283819 1430669687 /nfs/dbraw/zinc/66/96/87/1430669687.db2.gz FAWOGPMGCOVDCV-UHFFFAOYSA-N -1 3 385.811 3.258 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC000183283819 1430669695 /nfs/dbraw/zinc/66/96/95/1430669695.db2.gz FAWOGPMGCOVDCV-UHFFFAOYSA-N -1 3 385.811 3.258 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1 ZINC000183289588 1430671013 /nfs/dbraw/zinc/67/10/13/1430671013.db2.gz VEALUIBXZKMVNJ-UHFFFAOYSA-N -1 3 395.484 3.311 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nn1-c1cccc(Cl)c1 ZINC000183316203 1430677569 /nfs/dbraw/zinc/67/75/69/1430677569.db2.gz YRRKTCBPFQYZDM-UHFFFAOYSA-N -1 3 385.855 3.106 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cccc(O)c1 ZINC000183333487 1430681871 /nfs/dbraw/zinc/68/18/71/1430681871.db2.gz ZTRUIVZCMKGRDK-NRFANRHFSA-N -1 3 390.439 3.275 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2OCC(F)(F)F)c([O-])c1 ZINC000183341007 1430682630 /nfs/dbraw/zinc/68/26/30/1430682630.db2.gz QCILFSDQMBQAHG-UHFFFAOYSA-N -1 3 396.365 3.400 20 0 GGADHM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000183347699 1430684540 /nfs/dbraw/zinc/68/45/40/1430684540.db2.gz VNDCOYWEQBUCKO-UHFFFAOYSA-N -1 3 380.326 3.254 20 0 GGADHM Cc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)nc1 ZINC000183371861 1430693190 /nfs/dbraw/zinc/69/31/90/1430693190.db2.gz XPWBBXUQYMXYTC-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1c(F)c(F)c(F)c(F)c1F ZINC000183390498 1430698720 /nfs/dbraw/zinc/69/87/20/1430698720.db2.gz GOPDZFDYYCZVNQ-UHFFFAOYSA-N -1 3 382.266 3.232 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)Nc2ccccc2Oc2ccccc2Cl)cn1 ZINC000183401485 1430702311 /nfs/dbraw/zinc/70/23/11/1430702311.db2.gz HELMZPWKTWIYOG-UHFFFAOYSA-N -1 3 385.811 3.332 20 0 GGADHM Cc1ccc(Br)c(NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000183414505 1430705642 /nfs/dbraw/zinc/70/56/42/1430705642.db2.gz VQTDBWRQOIJQAH-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cn1 ZINC000183424598 1430708239 /nfs/dbraw/zinc/70/82/39/1430708239.db2.gz MFCVKPDVURUJLR-UHFFFAOYSA-N -1 3 385.811 3.332 20 0 GGADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183467152 1430718735 /nfs/dbraw/zinc/71/87/35/1430718735.db2.gz MHBNQYMIXVQPHJ-SNVBAGLBSA-N -1 3 398.419 3.079 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1ccc2c(c1)COC2 ZINC000183468287 1430719357 /nfs/dbraw/zinc/71/93/57/1430719357.db2.gz MXJXVQZFUZJDCW-UHFFFAOYSA-N -1 3 394.200 3.085 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183507374 1430731168 /nfs/dbraw/zinc/73/11/68/1430731168.db2.gz JERXYQDXAADCID-UHFFFAOYSA-N -1 3 388.336 3.292 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccn3)cs2)c1 ZINC000183528298 1430735441 /nfs/dbraw/zinc/73/54/41/1430735441.db2.gz SUUZDSJVXMNSJM-CYBMUJFWSA-N -1 3 396.472 3.224 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccn3)cs2)c1 ZINC000183528280 1430735586 /nfs/dbraw/zinc/73/55/86/1430735586.db2.gz SUUZDSJVXMNSJM-ZDUSSCGKSA-N -1 3 396.472 3.224 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC000183550398 1430740410 /nfs/dbraw/zinc/74/04/10/1430740410.db2.gz ZOMATMWWOZPADE-UHFFFAOYSA-N -1 3 377.803 3.071 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC(F)F)C3CC3)cs2)c1 ZINC000183582298 1430746466 /nfs/dbraw/zinc/74/64/66/1430746466.db2.gz IJICGWASZZWTCD-UHFFFAOYSA-N -1 3 395.431 3.208 20 0 GGADHM CC[C@H](C)CN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183598971 1430751358 /nfs/dbraw/zinc/75/13/58/1430751358.db2.gz WSUMBWGPDBVOQP-LBPRGKRZSA-N -1 3 375.494 3.456 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(-c3nccc(C)n3)cc2)c([O-])c1 ZINC000183629789 1430758599 /nfs/dbraw/zinc/75/85/99/1430758599.db2.gz ZXORXQIZNLNIBA-UHFFFAOYSA-N -1 3 390.443 3.225 20 0 GGADHM Cc1cccnc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183665456 1430766876 /nfs/dbraw/zinc/76/68/76/1430766876.db2.gz HPFUXEQHCDXQQL-HXUWFJFHSA-N -1 3 389.455 3.273 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2ccncc2)c1 ZINC000183682273 1430771742 /nfs/dbraw/zinc/77/17/42/1430771742.db2.gz PNRQZLQHKCNHBV-UHFFFAOYSA-N -1 3 394.431 3.044 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(C)Cc3ccccc3C2)c1 ZINC000183684412 1430772101 /nfs/dbraw/zinc/77/21/01/1430772101.db2.gz CYFJWBQKUSDZMQ-UHFFFAOYSA-N -1 3 391.427 3.228 20 0 GGADHM CN(C[C@H]1CCCOC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183716644 1430779849 /nfs/dbraw/zinc/77/98/49/1430779849.db2.gz NXQFYKMSQRHTLD-UTKZUKDTSA-N -1 3 396.487 3.138 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cscn1 ZINC000183724684 1430781647 /nfs/dbraw/zinc/78/16/47/1430781647.db2.gz ILXWHHHSXMRLKB-IBGZPJMESA-N -1 3 395.484 3.069 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccncc3C)cs2)c1 ZINC000183737169 1430784234 /nfs/dbraw/zinc/78/42/34/1430784234.db2.gz XGTKZIIDFVGTLJ-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM CCC(CC)[C@@H](O)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183765501 1430789513 /nfs/dbraw/zinc/78/95/13/1430789513.db2.gz PKCHQILFXHTQOK-SFTDATJTSA-N -1 3 398.503 3.167 20 0 GGADHM CCC(CC)[C@H](O)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183765486 1430789546 /nfs/dbraw/zinc/78/95/46/1430789546.db2.gz PKCHQILFXHTQOK-LEWJYISDSA-N -1 3 398.503 3.167 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccnc(C)c3)cs2)c1 ZINC000183767152 1430789572 /nfs/dbraw/zinc/78/95/72/1430789572.db2.gz NVXKCLPDLXIFJM-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM COCC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183773734 1430791005 /nfs/dbraw/zinc/79/10/05/1430791005.db2.gz DYEDITWKAFXRBB-NRFANRHFSA-N -1 3 396.487 3.138 20 0 GGADHM COC[C@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183781170 1430792217 /nfs/dbraw/zinc/79/22/17/1430792217.db2.gz DZPBPCTYVYCGND-UWJYYQICSA-N -1 3 396.487 3.138 20 0 GGADHM CCc1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n(C)n1 ZINC000183818466 1430800599 /nfs/dbraw/zinc/80/05/99/1430800599.db2.gz PEDSJPVHLBXTLJ-LJQANCHMSA-N -1 3 392.459 3.188 20 0 GGADHM C[C@@H]1CSCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183904973 1430811473 /nfs/dbraw/zinc/81/14/73/1430811473.db2.gz QKLVXEQTFQKIIA-BEFAXECRSA-N -1 3 384.501 3.217 20 0 GGADHM O=C(c1scnc1C1CCCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000183909419 1430812051 /nfs/dbraw/zinc/81/20/51/1430812051.db2.gz GTXURTHDCUGKFL-UHFFFAOYSA-N -1 3 385.489 3.105 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc2ccccc2n1 ZINC000183981257 1430822922 /nfs/dbraw/zinc/82/29/22/1430822922.db2.gz GPXGKDQBEQXFLC-CHWSQXEVSA-N -1 3 385.345 3.217 20 0 GGADHM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1cccc([O-])c1 ZINC000183993446 1430825458 /nfs/dbraw/zinc/82/54/58/1430825458.db2.gz MKJUJDNKNZLXEG-LSDHHAIUSA-N -1 3 387.501 3.311 20 0 GGADHM O=C(CS(=O)(=O)c1cccc([O-])c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000183999392 1430826628 /nfs/dbraw/zinc/82/66/28/1430826628.db2.gz VZHGAEDKTVMLPF-FQEVSTJZSA-N -1 3 391.464 3.353 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)C[C@@H]21 ZINC000184010707 1430828324 /nfs/dbraw/zinc/82/83/24/1430828324.db2.gz DKPFMLRQJSVMAU-ZCNNSNEGSA-N -1 3 378.472 3.368 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000184019408 1430829860 /nfs/dbraw/zinc/82/98/60/1430829860.db2.gz AFEKVCMWEXOMMU-CQSZACIVSA-N -1 3 388.414 3.115 20 0 GGADHM Cc1cc(NC(=O)NNC(=O)c2ccc(C)cc2[O-])nn1-c1ccccc1Cl ZINC000184081571 1430838777 /nfs/dbraw/zinc/83/87/77/1430838777.db2.gz QNWAJRLKCOSQPT-UHFFFAOYSA-N -1 3 399.838 3.315 20 0 GGADHM CCOC[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000184120872 1430843857 /nfs/dbraw/zinc/84/38/57/1430843857.db2.gz AMNAWXUGWRKPPH-DYESRHJHSA-N -1 3 396.487 3.138 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1F ZINC000184144734 1430846910 /nfs/dbraw/zinc/84/69/10/1430846910.db2.gz LGWMJYQAHVVGNI-MRXNPFEDSA-N -1 3 396.871 3.012 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCS1 ZINC000184176466 1430851178 /nfs/dbraw/zinc/85/11/78/1430851178.db2.gz GNIFIJWYZWEHMX-MOPGFXCFSA-N -1 3 384.501 3.265 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000184182984 1430852439 /nfs/dbraw/zinc/85/24/39/1430852439.db2.gz AEBXEWKHEUMEJV-AWEZNQCLSA-N -1 3 389.452 3.289 20 0 GGADHM NC(=O)CCOc1ccccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184228336 1430859336 /nfs/dbraw/zinc/85/93/36/1430859336.db2.gz SIPROYKVXRTUFN-PKNBQFBNSA-N -1 3 380.853 3.007 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H](C)c2ccccc2)c1 ZINC000184246704 1430861736 /nfs/dbraw/zinc/86/17/36/1430861736.db2.gz GQVZFLIPTANCCW-NSHDSACASA-N -1 3 377.238 3.022 20 0 GGADHM O=C(NNc1ccc(Br)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000184249542 1430862260 /nfs/dbraw/zinc/86/22/60/1430862260.db2.gz YPFPBPLEAUYQHN-UHFFFAOYSA-N -1 3 376.185 3.187 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1ccc(C)c(C)c1 ZINC000184258529 1430863489 /nfs/dbraw/zinc/86/34/89/1430863489.db2.gz JIHNNJJZLRCTFF-FQEVSTJZSA-N -1 3 398.484 3.185 20 0 GGADHM CN(CC1(O)CCCC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184289006 1430868733 /nfs/dbraw/zinc/86/87/33/1430868733.db2.gz QSPMRNAHOZXZMV-HXUWFJFHSA-N -1 3 396.487 3.017 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1nnc2ccccc2c1[O-] ZINC000184316514 1430872541 /nfs/dbraw/zinc/87/25/41/1430872541.db2.gz YOFIPTDBNDUSBA-UHFFFAOYSA-N -1 3 382.326 3.325 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](C)c3nccs3)nc(=O)c2c1C ZINC000184411017 1430884797 /nfs/dbraw/zinc/88/47/97/1430884797.db2.gz FNVVZKGASJVDMA-UWVGGRQHSA-N -1 3 392.506 3.338 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2sc(-c3ccccc3)nc2C)c(C)o1 ZINC000184503660 1430896189 /nfs/dbraw/zinc/89/61/89/1430896189.db2.gz OMVNHTRIZANMPD-UHFFFAOYSA-N -1 3 391.474 3.180 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000184563732 1430905538 /nfs/dbraw/zinc/90/55/38/1430905538.db2.gz KOGFDJALUFIXGB-UHFFFAOYSA-N -1 3 386.637 3.358 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1ccc(Cl)nc1 ZINC000184562576 1430905600 /nfs/dbraw/zinc/90/56/00/1430905600.db2.gz XYCICHRFCVWVCF-UHFFFAOYSA-N -1 3 387.596 3.103 20 0 GGADHM CCc1cc2c(CN3CCN([C@@H](C)c4nccs4)CC3)cc(=O)oc2cc1[O-] ZINC000184580686 1430908971 /nfs/dbraw/zinc/90/89/71/1430908971.db2.gz VLIFVXUMVUVNKG-AWEZNQCLSA-N -1 3 399.516 3.396 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN([C@@H](C)c4nccs4)CC3)cc(=O)oc12 ZINC000184598834 1430914474 /nfs/dbraw/zinc/91/44/74/1430914474.db2.gz YZWUNBNIQXLXOD-AWEZNQCLSA-N -1 3 385.489 3.142 20 0 GGADHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000184640289 1430927339 /nfs/dbraw/zinc/92/73/39/1430927339.db2.gz UXFGDPBIFJTNFJ-HNNXBMFYSA-N -1 3 392.415 3.173 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184686665 1430942407 /nfs/dbraw/zinc/94/24/07/1430942407.db2.gz RYZOXAXVTFQLBI-QWRGUYRKSA-N -1 3 384.379 3.218 20 0 GGADHM Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000184787786 1430977683 /nfs/dbraw/zinc/97/76/83/1430977683.db2.gz FWQSIBHYJSLPLW-UHFFFAOYSA-N -1 3 385.420 3.218 20 0 GGADHM O=C(NN=c1cccn[n-]1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000184791676 1430978860 /nfs/dbraw/zinc/97/88/60/1430978860.db2.gz PRZWOKQPANGMBF-UHFFFAOYSA-N -1 3 380.191 3.107 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2cccc(Cl)c2F)c(=O)[n-]1 ZINC000184802102 1430982129 /nfs/dbraw/zinc/98/21/29/1430982129.db2.gz BILZBUKYYMKVPH-UHFFFAOYSA-N -1 3 379.863 3.206 20 0 GGADHM O=C([N-]NC(=O)c1ccccc1)c1cc(Br)ccc1Br ZINC000184822249 1430990897 /nfs/dbraw/zinc/99/08/97/1430990897.db2.gz VMSFOHJLSKACPQ-UHFFFAOYSA-N -1 3 398.054 3.286 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)c([O-])c1 ZINC000184843518 1431000691 /nfs/dbraw/zinc/00/06/91/1431000691.db2.gz XVDGZWIBESGWGL-UHFFFAOYSA-N -1 3 387.342 3.285 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1F ZINC000184893071 1431014829 /nfs/dbraw/zinc/01/48/29/1431014829.db2.gz IXHWMJAKSOZHQW-CYBMUJFWSA-N -1 3 383.416 3.489 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000184894237 1431014879 /nfs/dbraw/zinc/01/48/79/1431014879.db2.gz BQILEZWQZYOPPY-UHFFFAOYSA-N -1 3 386.473 3.110 20 0 GGADHM CC1(Cn2cc(C(=O)[N-]c3cc(F)ccc3SCC(F)F)nn2)COC1 ZINC000184921289 1431022095 /nfs/dbraw/zinc/02/20/95/1431022095.db2.gz ZGFNPABQCOHYSC-UHFFFAOYSA-N -1 3 386.399 3.063 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccn2C)c1 ZINC000184926164 1431023141 /nfs/dbraw/zinc/02/31/41/1431023141.db2.gz ZXTXXXWPTUUVHH-GOSISDBHSA-N -1 3 394.431 3.257 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c([O-])c1O ZINC000184944394 1431027777 /nfs/dbraw/zinc/02/77/77/1431027777.db2.gz BVACPDPPTYRLER-UHFFFAOYSA-N -1 3 376.840 3.144 20 0 GGADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000184947444 1431028137 /nfs/dbraw/zinc/02/81/37/1431028137.db2.gz SNGPZBNVHAAKHA-UHFFFAOYSA-N -1 3 399.516 3.169 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccnc2)C2CC2)c1 ZINC000184958600 1431030953 /nfs/dbraw/zinc/03/09/53/1431030953.db2.gz PQHMDJYAMWLROJ-UHFFFAOYSA-N -1 3 392.415 3.141 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000184959619 1431031407 /nfs/dbraw/zinc/03/14/07/1431031407.db2.gz NUKDTSUCGAWDJC-OWCLPIDISA-N -1 3 396.553 3.153 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2ccccc2)c1 ZINC000184970742 1431033152 /nfs/dbraw/zinc/03/31/52/1431033152.db2.gz IQYRANMGJAXRAA-UHFFFAOYSA-N -1 3 379.416 3.256 20 0 GGADHM Cc1cc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000184997594 1431038258 /nfs/dbraw/zinc/03/82/58/1431038258.db2.gz GQETUAKBKLNBFH-ZDUSSCGKSA-N -1 3 396.534 3.162 20 0 GGADHM CC[C@@H](CN(CC)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000185127956 1431067773 /nfs/dbraw/zinc/06/77/73/1431067773.db2.gz RNVNAMLMEHXVDZ-HNNXBMFYSA-N -1 3 378.494 3.152 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)C1=Cc2ccccc2OCC1 ZINC000185175970 1431077948 /nfs/dbraw/zinc/07/79/48/1431077948.db2.gz CCJWQQGCMMBVGZ-UHFFFAOYSA-N -1 3 399.497 3.448 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cc(Br)ccc2F)c([O-])c1 ZINC000185278060 1431098686 /nfs/dbraw/zinc/09/86/86/1431098686.db2.gz QNQVGVGFUUZSOY-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM COCC1=CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000185396705 1431136057 /nfs/dbraw/zinc/13/60/57/1431136057.db2.gz WNUIHVGIYPQSHU-NRFANRHFSA-N -1 3 394.471 3.059 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(NC(C)=O)ccc3Cl)cc12 ZINC000185586732 1431177249 /nfs/dbraw/zinc/17/72/49/1431177249.db2.gz CJEOGJSXJWBJOA-UHFFFAOYSA-N -1 3 394.840 3.198 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCCC3=O)cc2)cc1C ZINC000185628171 1431188610 /nfs/dbraw/zinc/18/86/10/1431188610.db2.gz RMMNZHNYKFKWJO-UHFFFAOYSA-N -1 3 386.473 3.143 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1noc2ccccc21)Nc1cccc2ccccc21 ZINC000185746795 1431222593 /nfs/dbraw/zinc/22/25/93/1431222593.db2.gz TWHVNQWRNZECHF-UHFFFAOYSA-N -1 3 395.440 3.039 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000185802063 1431239585 /nfs/dbraw/zinc/23/95/85/1431239585.db2.gz MQQGVLBRHRRVEO-DYESRHJHSA-N -1 3 380.444 3.117 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)Nc2ccccc2OCc2cccc(Cl)c2)cn1 ZINC000185811995 1431242089 /nfs/dbraw/zinc/24/20/89/1431242089.db2.gz JHAGYJUEUZPVQM-UHFFFAOYSA-N -1 3 399.838 3.119 20 0 GGADHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185866820 1431256765 /nfs/dbraw/zinc/25/67/65/1431256765.db2.gz AWSXXVTYINSMFV-VIFPVBQESA-N -1 3 386.265 3.449 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000185891532 1431265813 /nfs/dbraw/zinc/26/58/13/1431265813.db2.gz AKGWKXKZFHUOQQ-RVDMUPIBSA-N -1 3 385.826 3.440 20 0 GGADHM Clc1ccc2nc(C[N-]c3nnc([C@@H]4COc5ccccc5O4)o3)cn2c1 ZINC000185895639 1431267837 /nfs/dbraw/zinc/26/78/37/1431267837.db2.gz ZBDIUPCUHQDIOQ-HNNXBMFYSA-N -1 3 383.795 3.495 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000185898708 1431269374 /nfs/dbraw/zinc/26/93/74/1431269374.db2.gz PPOVYXJQLCUKBS-LEHPZIBWSA-N -1 3 382.217 3.443 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000185900636 1431270719 /nfs/dbraw/zinc/27/07/19/1431270719.db2.gz ABBUQGQWJUBDGH-HNRFISLBSA-N -1 3 385.826 3.487 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000185913479 1431276399 /nfs/dbraw/zinc/27/63/99/1431276399.db2.gz XFRNJSZJXFNRPZ-FHLIRTJZSA-N -1 3 399.809 3.013 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1noc(-c2ccccc2)n1 ZINC000185965565 1431300156 /nfs/dbraw/zinc/30/01/56/1431300156.db2.gz DQRPKGLJIJTEGC-LBPRGKRZSA-N -1 3 384.417 3.058 20 0 GGADHM Cc1ccc(-c2noc(CN3CCN(Cc4cc([O-])cc(F)c4)CC3)n2)cc1 ZINC000186172349 1431346675 /nfs/dbraw/zinc/34/66/75/1431346675.db2.gz NZNFGTKEDCDMOU-UHFFFAOYSA-N -1 3 382.439 3.208 20 0 GGADHM C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186189269 1431349268 /nfs/dbraw/zinc/34/92/68/1431349268.db2.gz OTEWAOQGKRZBHK-HNNXBMFYSA-N -1 3 382.439 3.460 20 0 GGADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000186200251 1431350861 /nfs/dbraw/zinc/35/08/61/1431350861.db2.gz UONZLGUXRQYDFF-AWEZNQCLSA-N -1 3 390.390 3.325 20 0 GGADHM COc1ccc(CCC(=O)N2CCCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000186202801 1431351620 /nfs/dbraw/zinc/35/16/20/1431351620.db2.gz KLUBIYFGCGQSNS-UHFFFAOYSA-N -1 3 386.467 3.207 20 0 GGADHM C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4cc([O-])cc(F)c4)CC3)cc2NC1=O ZINC000186210005 1431353145 /nfs/dbraw/zinc/35/31/45/1431353145.db2.gz IYMCPJUHKAABPX-CYBMUJFWSA-N -1 3 398.434 3.346 20 0 GGADHM CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186274094 1431369046 /nfs/dbraw/zinc/36/90/46/1431369046.db2.gz BZLRSBXHOIHHBX-CQSZACIVSA-N -1 3 393.409 3.331 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(F)c(Br)c2)c([O-])c1 ZINC000186290976 1431373375 /nfs/dbraw/zinc/37/33/75/1431373375.db2.gz ICOFIASHZLWVRN-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c([O-])c1 ZINC000186335362 1431386004 /nfs/dbraw/zinc/38/60/04/1431386004.db2.gz WWNOAWWUFSHONI-UHFFFAOYSA-N -1 3 399.838 3.065 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4cncnc4)cc3F)nc21 ZINC000186486038 1431433727 /nfs/dbraw/zinc/43/37/27/1431433727.db2.gz LEADOHHGFLTVMM-UHFFFAOYSA-N -1 3 391.362 3.198 20 0 GGADHM O=C(NC[C@H](c1ccccc1)C(F)(F)F)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000186492489 1431435741 /nfs/dbraw/zinc/43/57/41/1431435741.db2.gz KUVYDLQMQXTEGI-CQSZACIVSA-N -1 3 377.322 3.038 20 0 GGADHM O=C(NCC1(CCOCc2ccccc2)CC1)c1nnc2ccccc2c1[O-] ZINC000186518285 1431444012 /nfs/dbraw/zinc/44/40/12/1431444012.db2.gz SPWVEDSHDHPKKL-UHFFFAOYSA-N -1 3 377.444 3.040 20 0 GGADHM COc1ccccc1[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)OC(C)C ZINC000186524560 1431445794 /nfs/dbraw/zinc/44/57/94/1431445794.db2.gz CIXSOMBMZIJJMA-FQEVSTJZSA-N -1 3 380.444 3.433 20 0 GGADHM CCC1(CC)CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CC1 ZINC000186539693 1431449281 /nfs/dbraw/zinc/44/92/81/1431449281.db2.gz KPYDKHXOGLACST-UHFFFAOYSA-N -1 3 377.510 3.482 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ncoc3-c3ccc(F)cc3)nc21 ZINC000186609509 1431467776 /nfs/dbraw/zinc/46/77/76/1431467776.db2.gz ZLGUMHABIRCSSY-UHFFFAOYSA-N -1 3 380.335 3.396 20 0 GGADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1Br ZINC000186619092 1431470914 /nfs/dbraw/zinc/47/09/14/1431470914.db2.gz UHBKVZWIKZIHRW-UHFFFAOYSA-N -1 3 393.165 3.436 20 0 GGADHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCc1ccc(F)cc1Br ZINC000186656937 1431482621 /nfs/dbraw/zinc/48/26/21/1431482621.db2.gz USFFBMLWIZGDHI-UHFFFAOYSA-N -1 3 383.173 3.287 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000186753653 1431508469 /nfs/dbraw/zinc/50/84/69/1431508469.db2.gz JFLLXXRIOKSOBR-UHFFFAOYSA-N -1 3 387.365 3.234 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000186753653 1431508471 /nfs/dbraw/zinc/50/84/71/1431508471.db2.gz JFLLXXRIOKSOBR-UHFFFAOYSA-N -1 3 387.365 3.234 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2)[n-]c1-c1ccccc1 ZINC000186836697 1431533090 /nfs/dbraw/zinc/53/30/90/1431533090.db2.gz SVUGIFPAAKLNEX-UHFFFAOYSA-N -1 3 391.399 3.076 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2)nc1-c1ccccc1 ZINC000186836697 1431533095 /nfs/dbraw/zinc/53/30/95/1431533095.db2.gz SVUGIFPAAKLNEX-UHFFFAOYSA-N -1 3 391.399 3.076 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(C)c2C)[n-]c1-c1ccccc1 ZINC000186839686 1431535348 /nfs/dbraw/zinc/53/53/48/1431535348.db2.gz OJBVEVPTJAVDDF-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cccc(C)c2C)nc1-c1ccccc1 ZINC000186839686 1431535361 /nfs/dbraw/zinc/53/53/61/1431535361.db2.gz OJBVEVPTJAVDDF-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N2c3ccccc3C[C@@H]2C)[n-]c1-c1ccccc1 ZINC000186845324 1431537361 /nfs/dbraw/zinc/53/73/61/1431537361.db2.gz GYCYYMQNVPGKTM-AWEZNQCLSA-N -1 3 395.484 3.137 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N2c3ccccc3C[C@@H]2C)nc1-c1ccccc1 ZINC000186845324 1431537369 /nfs/dbraw/zinc/53/73/69/1431537369.db2.gz GYCYYMQNVPGKTM-AWEZNQCLSA-N -1 3 395.484 3.137 20 0 GGADHM O=S1(=O)CCCN1c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1F ZINC000186846343 1431538492 /nfs/dbraw/zinc/53/84/92/1431538492.db2.gz BZZAWRNNSWZMTD-RGVLZGJSSA-N -1 3 382.844 3.344 20 0 GGADHM COc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1 ZINC000186850955 1431540047 /nfs/dbraw/zinc/54/00/47/1431540047.db2.gz OLNFLDSIIZNIEZ-AWEZNQCLSA-N -1 3 399.472 3.195 20 0 GGADHM CCOc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186854320 1431541702 /nfs/dbraw/zinc/54/17/02/1431541702.db2.gz UCQCORVXBNIQNC-OKILXGFUSA-N -1 3 384.904 3.064 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2cnn(C)c2C(F)(F)F)[n-]c1-c1ccccc1 ZINC000186854958 1431541870 /nfs/dbraw/zinc/54/18/70/1431541870.db2.gz JEMPIEUWNBXQLU-UHFFFAOYSA-N -1 3 384.383 3.111 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2cnn(C)c2C(F)(F)F)nc1-c1ccccc1 ZINC000186854958 1431541876 /nfs/dbraw/zinc/54/18/76/1431541876.db2.gz JEMPIEUWNBXQLU-UHFFFAOYSA-N -1 3 384.383 3.111 20 0 GGADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc(CCN2CCOCC2)cc1 ZINC000186976501 1431580834 /nfs/dbraw/zinc/58/08/34/1431580834.db2.gz NGEHUDZRSHYKIN-UHFFFAOYSA-N -1 3 392.546 3.084 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)c(C)o1 ZINC000187055265 1431600799 /nfs/dbraw/zinc/60/07/99/1431600799.db2.gz YSOLNKBWOVRXRG-KRWDZBQOSA-N -1 3 376.478 3.037 20 0 GGADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000187099799 1431615501 /nfs/dbraw/zinc/61/55/01/1431615501.db2.gz JYUZZTCLYSNYSW-SJCJKPOMSA-N -1 3 383.835 3.179 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c1 ZINC000187102253 1431616152 /nfs/dbraw/zinc/61/61/52/1431616152.db2.gz XJDBGWCDPITORL-UHFFFAOYSA-N -1 3 390.505 3.491 20 0 GGADHM CC(=O)Nc1ccc(C)c(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000187201944 1431645925 /nfs/dbraw/zinc/64/59/25/1431645925.db2.gz NUYBBZOWQAQTEH-UHFFFAOYSA-N -1 3 380.231 3.335 20 0 GGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000187244360 1431663983 /nfs/dbraw/zinc/66/39/83/1431663983.db2.gz IXUDIYLETISBGC-UHFFFAOYSA-N -1 3 388.898 3.075 20 0 GGADHM COC(=O)c1coc(C(=O)[N-]c2sc3c(c2C(=O)c2ccncc2)CCC3)c1 ZINC000187313621 1431692638 /nfs/dbraw/zinc/69/26/38/1431692638.db2.gz VPCJZBRGVJIXBW-UHFFFAOYSA-N -1 3 396.424 3.495 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)C2CC2)s1 ZINC000187353250 1431706695 /nfs/dbraw/zinc/70/66/95/1431706695.db2.gz PUDZSUNTXWLIKX-INIZCTEOSA-N -1 3 386.502 3.338 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187517734 1431754209 /nfs/dbraw/zinc/75/42/09/1431754209.db2.gz ABSZMEZJXJDSIJ-ZDUSSCGKSA-N -1 3 377.448 3.391 20 0 GGADHM O=C(Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1)N1CCc2ccccc21 ZINC000187638987 1431785395 /nfs/dbraw/zinc/78/53/95/1431785395.db2.gz TXVJPMSXCJAZQR-UHFFFAOYSA-N -1 3 397.438 3.342 20 0 GGADHM O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000187860298 1431821052 /nfs/dbraw/zinc/82/10/52/1431821052.db2.gz BTNZSNWXNJVQAW-UHFFFAOYSA-N -1 3 392.440 3.184 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)c2ccc(F)cc2F)sc1Cl ZINC000188040506 1431838860 /nfs/dbraw/zinc/83/88/60/1431838860.db2.gz LQENQHDFVKQQQQ-AWEZNQCLSA-N -1 3 381.853 3.174 20 0 GGADHM C#CCOc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000188041466 1431839189 /nfs/dbraw/zinc/83/91/89/1431839189.db2.gz RRLUHPCPDWCCQN-UHFFFAOYSA-N -1 3 375.222 3.488 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000188069189 1431842185 /nfs/dbraw/zinc/84/21/85/1431842185.db2.gz MVYLKUNZBLMIJT-LDADJPATSA-N -1 3 381.863 3.297 20 0 GGADHM CN(Cc1cccc(Br)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188082415 1431844079 /nfs/dbraw/zinc/84/40/79/1431844079.db2.gz DCBKCRZCWHBWSQ-QGZVFWFLSA-N -1 3 389.293 3.388 20 0 GGADHM CCc1ccccc1CC(=O)N[N-]C(=O)c1cc(OC)ccc1Br ZINC000188248066 1431865357 /nfs/dbraw/zinc/86/53/57/1431865357.db2.gz WNPHHOYGXNDZQW-UHFFFAOYSA-N -1 3 391.265 3.024 20 0 GGADHM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000188282598 1431869438 /nfs/dbraw/zinc/86/94/38/1431869438.db2.gz TXIQEDIRTDBKGI-CQSZACIVSA-N -1 3 391.386 3.035 20 0 GGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)c1 ZINC000188330978 1431874111 /nfs/dbraw/zinc/87/41/11/1431874111.db2.gz AWALMTGQUYXQAZ-UHFFFAOYSA-N -1 3 393.266 3.139 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)c1cccnc1C(F)(F)F ZINC000188343110 1431875207 /nfs/dbraw/zinc/87/52/07/1431875207.db2.gz YXZNLJWUWQLOAR-UHFFFAOYSA-N -1 3 378.137 3.482 20 0 GGADHM C=CC[C@H](C(=O)NN=c1[n-]c(Br)cn2ccnc12)c1ccccc1 ZINC000188366736 1431877527 /nfs/dbraw/zinc/87/75/27/1431877527.db2.gz SQUIQUJPEQMJJI-ZDUSSCGKSA-N -1 3 386.253 3.295 20 0 GGADHM COc1ccc(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000188395124 1431880483 /nfs/dbraw/zinc/88/04/83/1431880483.db2.gz IERNDCYHLQRMIE-QGZVFWFLSA-N -1 3 390.440 3.130 20 0 GGADHM O=S(=O)([N-][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccco1 ZINC000188609000 1431899869 /nfs/dbraw/zinc/89/98/69/1431899869.db2.gz QUIFPPMXFLWVDS-KRWDZBQOSA-N -1 3 385.420 3.488 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000188631960 1431910957 /nfs/dbraw/zinc/91/09/57/1431910957.db2.gz CBILFKOGANZMKK-INIZCTEOSA-N -1 3 394.393 3.283 20 0 GGADHM O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc2n[n-]nc21 ZINC000188641221 1431914621 /nfs/dbraw/zinc/91/46/21/1431914621.db2.gz VCUTUNRHGXQZIP-UHFFFAOYSA-N -1 3 399.760 3.224 20 0 GGADHM COc1ccc(C2(C[N-]S(=O)(=O)c3ccco3)CCCCC2)cc1OC ZINC000188690197 1431933978 /nfs/dbraw/zinc/93/39/78/1431933978.db2.gz XSKDNLOENGTJPJ-UHFFFAOYSA-N -1 3 379.478 3.477 20 0 GGADHM O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cccc2n[n-]nc21 ZINC000188852739 1431997904 /nfs/dbraw/zinc/99/79/04/1431997904.db2.gz JVCDLHYPUVKIBH-UHFFFAOYSA-N -1 3 387.447 3.119 20 0 GGADHM CCc1nn(C)c(CC)c1CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000188855063 1431999266 /nfs/dbraw/zinc/99/92/66/1431999266.db2.gz MQMQPIIOFLHFDP-UHFFFAOYSA-N -1 3 393.491 3.039 20 0 GGADHM CCOC(=O)N1CCC([C@H](C)Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000189218662 1432065048 /nfs/dbraw/zinc/06/50/48/1432065048.db2.gz XSHVVTISMOXKIE-AWEZNQCLSA-N -1 3 399.495 3.063 20 0 GGADHM CCc1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c([O-])c1 ZINC000189221652 1432065628 /nfs/dbraw/zinc/06/56/28/1432065628.db2.gz CZVMKDNLFDUJFS-INIZCTEOSA-N -1 3 382.460 3.051 20 0 GGADHM Cc1nnc([N-]C(=O)c2nc(Br)ccc2Br)s1 ZINC000189223818 1432066101 /nfs/dbraw/zinc/06/61/01/1432066101.db2.gz XOYFRKQWXGKGPZ-UHFFFAOYSA-N -1 3 378.049 3.019 20 0 GGADHM CCc1cc2c(CN3CCOC[C@@H]3c3nc(C)cs3)cc(=O)oc2cc1[O-] ZINC000189246775 1432070786 /nfs/dbraw/zinc/07/07/86/1432070786.db2.gz PQVHUUNFHCFFFO-MRXNPFEDSA-N -1 3 386.473 3.399 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189251453 1432071700 /nfs/dbraw/zinc/07/17/00/1432071700.db2.gz WQRQTTPGZQQDQB-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCc3cccnc32)ccc1F ZINC000189301617 1432081503 /nfs/dbraw/zinc/08/15/03/1432081503.db2.gz OGHHBWDVHNJBIJ-HNNXBMFYSA-N -1 3 392.452 3.142 20 0 GGADHM CC[C@@]1(C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000189337954 1432089270 /nfs/dbraw/zinc/08/92/70/1432089270.db2.gz XVRYHMFHOVESDP-OFNKIYASSA-N -1 3 396.487 3.281 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)ccc1F ZINC000189383030 1432096429 /nfs/dbraw/zinc/09/64/29/1432096429.db2.gz HQVFTPDILMCLFG-UHFFFAOYSA-N -1 3 386.452 3.063 20 0 GGADHM O=S(=O)([N-]c1ccc(Cc2nnc3n2CCC3)cc1)c1ccc2c(c1)CCC2 ZINC000189384877 1432096611 /nfs/dbraw/zinc/09/66/11/1432096611.db2.gz SOQZTYLTPHHTFV-UHFFFAOYSA-N -1 3 394.500 3.105 20 0 GGADHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000189609634 1432175345 /nfs/dbraw/zinc/17/53/45/1432175345.db2.gz DOPRSEUDPNSNIP-QGZVFWFLSA-N -1 3 392.249 3.094 20 0 GGADHM CC(=O)Nc1cccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1C ZINC000189865902 1432257539 /nfs/dbraw/zinc/25/75/39/1432257539.db2.gz HPAKPWJWJHRUKO-UHFFFAOYSA-N -1 3 380.231 3.335 20 0 GGADHM CCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1ccccc1Cl ZINC000189911316 1432271002 /nfs/dbraw/zinc/27/10/02/1432271002.db2.gz WCLIZBGCDNUGFS-UHFFFAOYSA-N -1 3 384.749 3.477 20 0 GGADHM CCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccccc1Cl ZINC000189911316 1432271007 /nfs/dbraw/zinc/27/10/07/1432271007.db2.gz WCLIZBGCDNUGFS-UHFFFAOYSA-N -1 3 384.749 3.477 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCCO1 ZINC000190081549 1432316562 /nfs/dbraw/zinc/31/65/62/1432316562.db2.gz QEWCGMZFAZUPEA-UHFFFAOYSA-N -1 3 378.425 3.103 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC000190113904 1432322257 /nfs/dbraw/zinc/32/22/57/1432322257.db2.gz IHSUJODSSUTACU-UHFFFAOYSA-N -1 3 398.890 3.353 20 0 GGADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c([O-])c1 ZINC000190213748 1432342435 /nfs/dbraw/zinc/34/24/35/1432342435.db2.gz QTYLQLCONMMAEP-UHFFFAOYSA-N -1 3 376.497 3.338 20 0 GGADHM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000190242912 1432347606 /nfs/dbraw/zinc/34/76/06/1432347606.db2.gz OTZWGGIJEICIDI-UHFFFAOYSA-N -1 3 386.473 3.390 20 0 GGADHM Cc1c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cccc1C(=O)N1CCCC1 ZINC000190273355 1432351866 /nfs/dbraw/zinc/35/18/66/1432351866.db2.gz CYLFOHLKBCEKBC-UHFFFAOYSA-N -1 3 398.484 3.406 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000190317584 1432360220 /nfs/dbraw/zinc/36/02/20/1432360220.db2.gz CHRSZHHDARHCOK-OAHLLOKOSA-N -1 3 384.480 3.129 20 0 GGADHM COCCn1ccc2ccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)cc21 ZINC000190336362 1432363901 /nfs/dbraw/zinc/36/39/01/1432363901.db2.gz TVJOMRWOFUBAIH-UHFFFAOYSA-N -1 3 384.457 3.463 20 0 GGADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000190374272 1432369254 /nfs/dbraw/zinc/36/92/54/1432369254.db2.gz VARLPIZYNIKJFL-UHFFFAOYSA-N -1 3 396.472 3.108 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)ccc1C ZINC000190379616 1432370043 /nfs/dbraw/zinc/37/00/43/1432370043.db2.gz QUVLLYSTTXUVCB-UHFFFAOYSA-N -1 3 384.461 3.248 20 0 GGADHM Cc1ccc(Cl)cc1CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000190429464 1432380122 /nfs/dbraw/zinc/38/01/22/1432380122.db2.gz SCIBZGMMGWEYTB-UHFFFAOYSA-N -1 3 387.867 3.022 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c([O-])c1 ZINC000190435753 1432381758 /nfs/dbraw/zinc/38/17/58/1432381758.db2.gz LRBHTZASYCOTEF-KRWDZBQOSA-N -1 3 383.492 3.485 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c([O-])c1 ZINC000190435774 1432381888 /nfs/dbraw/zinc/38/18/88/1432381888.db2.gz LRBHTZASYCOTEF-QGZVFWFLSA-N -1 3 383.492 3.485 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCSC[C@H](C)C3)nc(=O)c2c1C ZINC000190448460 1432383910 /nfs/dbraw/zinc/38/39/10/1432383910.db2.gz KAYVCYAUCHLKFS-ZYHUDNBSSA-N -1 3 395.550 3.216 20 0 GGADHM O=C([N-]Nc1cc(F)c(F)cc1F)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000190491073 1432391717 /nfs/dbraw/zinc/39/17/17/1432391717.db2.gz BSOHQFZRJWRGHZ-UHFFFAOYSA-N -1 3 379.672 3.117 20 0 GGADHM CCCCOc1ccc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000190495019 1432392572 /nfs/dbraw/zinc/39/25/72/1432392572.db2.gz NXQDGUCPADVIMS-UHFFFAOYSA-N -1 3 384.476 3.245 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3nn(-c4c(F)cccc4F)cc3C)n[n-]2)o1 ZINC000190566488 1432408478 /nfs/dbraw/zinc/40/84/78/1432408478.db2.gz LTOYNQUEJHHDKY-UHFFFAOYSA-N -1 3 384.346 3.398 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000190639519 1432428802 /nfs/dbraw/zinc/42/88/02/1432428802.db2.gz RUIRMHLHHHLGRH-UHFFFAOYSA-N -1 3 388.855 3.137 20 0 GGADHM CCOC1CC(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000190639544 1432429126 /nfs/dbraw/zinc/42/91/26/1432429126.db2.gz ZIVGGLIJUSVWKO-UHFFFAOYSA-N -1 3 394.899 3.428 20 0 GGADHM CC(C)(C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1F ZINC000190718227 1432455078 /nfs/dbraw/zinc/45/50/78/1432455078.db2.gz BUFFMEYLATVPSA-UHFFFAOYSA-N -1 3 378.831 3.009 20 0 GGADHM O=C([N-]Nc1cc(F)c(F)c(F)c1)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000191042848 1432555412 /nfs/dbraw/zinc/55/54/12/1432555412.db2.gz KGOWEFDROQQRNS-UHFFFAOYSA-N -1 3 379.672 3.117 20 0 GGADHM COc1cc(OC)cc(N2CC[C@H](NCc3c([O-])ccc(Cl)c3F)C2=O)c1 ZINC000191276029 1432618027 /nfs/dbraw/zinc/61/80/27/1432618027.db2.gz BHLQKMIPLUOLMV-INIZCTEOSA-N -1 3 394.830 3.097 20 0 GGADHM COc1cc(OC)cc(N2CC[C@@H](NCc3c([O-])ccc(Cl)c3F)C2=O)c1 ZINC000191276041 1432618317 /nfs/dbraw/zinc/61/83/17/1432618317.db2.gz BHLQKMIPLUOLMV-MRXNPFEDSA-N -1 3 394.830 3.097 20 0 GGADHM C[C@@H]1CSCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000191290383 1432623061 /nfs/dbraw/zinc/62/30/61/1432623061.db2.gz KSVHSCTVMPOASR-OXJNMPFZSA-N -1 3 398.528 3.465 20 0 GGADHM CCC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCCO1 ZINC000191296819 1432624123 /nfs/dbraw/zinc/62/41/23/1432624123.db2.gz XBXVRJDPICCWFC-UHFFFAOYSA-N -1 3 392.399 3.490 20 0 GGADHM CCNc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000191379948 1432646233 /nfs/dbraw/zinc/64/62/33/1432646233.db2.gz DTQNCMMUZLMVMM-UHFFFAOYSA-N -1 3 391.468 3.259 20 0 GGADHM CC[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000191444517 1432662749 /nfs/dbraw/zinc/66/27/49/1432662749.db2.gz KEKWPRGKIZAFFT-AWEZNQCLSA-N -1 3 386.477 3.321 20 0 GGADHM CCOC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)C ZINC000191446096 1432663390 /nfs/dbraw/zinc/66/33/90/1432663390.db2.gz KQIYMZQHBBBYSL-SFTDATJTSA-N -1 3 398.503 3.431 20 0 GGADHM CC(=O)N1CCN(Cc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)CC1 ZINC000191564167 1432683877 /nfs/dbraw/zinc/68/38/77/1432683877.db2.gz TVMLOYQAUKMMLE-UHFFFAOYSA-N -1 3 391.874 3.461 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])Nc1cccc(Cl)c1Br ZINC000191724796 1432712871 /nfs/dbraw/zinc/71/28/71/1432712871.db2.gz SNXDBYOALVCJJK-UHFFFAOYSA-N -1 3 384.617 3.275 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000191789259 1432725647 /nfs/dbraw/zinc/72/56/47/1432725647.db2.gz XVAYBKYRUNLPTH-UHFFFAOYSA-N -1 3 380.847 3.397 20 0 GGADHM Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[N-]OC[C@H]1CCOC1 ZINC000191798865 1432727731 /nfs/dbraw/zinc/72/77/31/1432727731.db2.gz MDYUEXLVSGXIBD-ZDUSSCGKSA-N -1 3 398.290 3.423 20 0 GGADHM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[N-]OC[C@@H]1CCOC1 ZINC000191814433 1432731288 /nfs/dbraw/zinc/73/12/88/1432731288.db2.gz PPYDGZJGICVMCF-MRXNPFEDSA-N -1 3 395.434 3.305 20 0 GGADHM CCCCc1nc(NC(=O)c2ccc(Br)nc2)c(C(=O)OCC)[n-]1 ZINC000191962305 1432768570 /nfs/dbraw/zinc/76/85/70/1432768570.db2.gz XDNDAJVYPWMNOJ-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)Cc2cnn(-c3ccccc3)c2)c(C(=O)OCC)[n-]1 ZINC000191963898 1432769295 /nfs/dbraw/zinc/76/92/95/1432769295.db2.gz CPMNQIDPJXBOAA-UHFFFAOYSA-N -1 3 395.463 3.296 20 0 GGADHM CCCCc1nc(NC(=O)Cc2c(C)nn(C(F)F)c2C)c(C(=O)OCC)[n-]1 ZINC000191965136 1432769545 /nfs/dbraw/zinc/76/95/45/1432769545.db2.gz FVYBCHVUECOURG-UHFFFAOYSA-N -1 3 397.426 3.319 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ncc(F)cc1F ZINC000192066373 1432791580 /nfs/dbraw/zinc/79/15/80/1432791580.db2.gz SIRIIOCEKZCAOW-UHFFFAOYSA-N -1 3 395.309 3.002 20 0 GGADHM CCc1c(NC(=O)c2cnc3c(cnn3C)c2[O-])cnn1-c1cccc(Cl)c1 ZINC000192134264 1432804321 /nfs/dbraw/zinc/80/43/21/1432804321.db2.gz DZXKUTKRDIJBNB-UHFFFAOYSA-N -1 3 396.838 3.328 20 0 GGADHM CCNc1ccc(Cl)cc1C(=O)N[N-]C(=O)c1ccc(CN(CC)CC)o1 ZINC000192141305 1432805572 /nfs/dbraw/zinc/80/55/72/1432805572.db2.gz BCNRPCNZFUNQQK-UHFFFAOYSA-N -1 3 392.887 3.281 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCS[C@@H](C)CC3)nc(=O)c2c1C ZINC000192185358 1432813333 /nfs/dbraw/zinc/81/33/33/1432813333.db2.gz WBGWBWNYMGTZIP-JQWIXIFHSA-N -1 3 395.550 3.358 20 0 GGADHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1 ZINC000192196208 1432814539 /nfs/dbraw/zinc/81/45/39/1432814539.db2.gz LNRWFAPZNBDRSJ-GFCCVEGCSA-N -1 3 393.419 3.309 20 0 GGADHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1nc(Cl)ccc1Cl ZINC000192279250 1432826493 /nfs/dbraw/zinc/82/64/93/1432826493.db2.gz HBUITERKKSVXPQ-UHFFFAOYSA-N -1 3 379.163 3.334 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1c(F)cc(F)cc1Br ZINC000192285906 1432827445 /nfs/dbraw/zinc/82/74/45/1432827445.db2.gz HPAPPXSWJFUONN-UHFFFAOYSA-N -1 3 378.564 3.319 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCc3ccncn3)cc2)cc1 ZINC000192304465 1432829760 /nfs/dbraw/zinc/82/97/60/1432829760.db2.gz BAVWVRIDRDIKQX-UHFFFAOYSA-N -1 3 396.472 3.157 20 0 GGADHM O=c1[n-]c(SCc2nnc(-c3ccco3)o2)nc2c1cnn2-c1ccccc1 ZINC000192493234 1432850845 /nfs/dbraw/zinc/85/08/45/1432850845.db2.gz KSSSJBDPLLEBAP-UHFFFAOYSA-N -1 3 392.400 3.044 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192498764 1432851525 /nfs/dbraw/zinc/85/15/25/1432851525.db2.gz ZJRPHCLCJGZDCL-UHFFFAOYSA-N -1 3 378.831 3.378 20 0 GGADHM CC(C)c1nnc([N-]C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)s1 ZINC000192539300 1432856755 /nfs/dbraw/zinc/85/67/55/1432856755.db2.gz LXFJDCYOFVURNL-UHFFFAOYSA-N -1 3 379.385 3.207 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n1 ZINC000192544931 1432857552 /nfs/dbraw/zinc/85/75/52/1432857552.db2.gz OERNCTDEJRFHGQ-GFCCVEGCSA-N -1 3 395.290 3.316 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)n1 ZINC000192550838 1432858484 /nfs/dbraw/zinc/85/84/84/1432858484.db2.gz HOQACTCVQKIZIB-LBPRGKRZSA-N -1 3 395.290 3.316 20 0 GGADHM Cc1nc(C)c(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)s1 ZINC000192567540 1432861298 /nfs/dbraw/zinc/86/12/98/1432861298.db2.gz DRSBLKRCRPHWRK-UHFFFAOYSA-N -1 3 389.506 3.155 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)c(F)c1 ZINC000192582166 1432862997 /nfs/dbraw/zinc/86/29/97/1432862997.db2.gz TXOKGVGNLLMUEE-UHFFFAOYSA-N -1 3 386.448 3.345 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c(Cl)c1 ZINC000192621193 1432867169 /nfs/dbraw/zinc/86/71/69/1432867169.db2.gz OWGYYXVBYKRWLQ-UHFFFAOYSA-N -1 3 394.880 3.214 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)c(F)c1 ZINC000192630583 1432868600 /nfs/dbraw/zinc/86/86/00/1432868600.db2.gz CDASTSUCAUWBHZ-INIZCTEOSA-N -1 3 396.871 3.012 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)c1noc(-c2ccccc2)n1 ZINC000192641684 1432870168 /nfs/dbraw/zinc/87/01/68/1432870168.db2.gz XVNDQPIBMOLNCD-CYBMUJFWSA-N -1 3 399.472 3.490 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)c1noc(-c2ccccc2)n1 ZINC000192641672 1432870262 /nfs/dbraw/zinc/87/02/62/1432870262.db2.gz XVNDQPIBMOLNCD-ZDUSSCGKSA-N -1 3 399.472 3.490 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 ZINC000192708881 1432877881 /nfs/dbraw/zinc/87/78/81/1432877881.db2.gz AIPBSSBILHIXOT-CQSZACIVSA-N -1 3 389.887 3.363 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 ZINC000192708869 1432877990 /nfs/dbraw/zinc/87/79/90/1432877990.db2.gz AIPBSSBILHIXOT-AWEZNQCLSA-N -1 3 389.887 3.363 20 0 GGADHM Cc1cccc(Oc2ccc(S(=O)(=O)NN=c3nc(C)cc(C)[n-]3)cc2)c1 ZINC000192709786 1432878359 /nfs/dbraw/zinc/87/83/59/1432878359.db2.gz MAQSMUMYPPBBCF-UHFFFAOYSA-N -1 3 384.461 3.500 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000192740177 1432883031 /nfs/dbraw/zinc/88/30/31/1432883031.db2.gz GRDNVFQCSIUHQE-CYBMUJFWSA-N -1 3 379.787 3.371 20 0 GGADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccn(CC(F)F)n1 ZINC000192785229 1432890659 /nfs/dbraw/zinc/89/06/59/1432890659.db2.gz HFPMFTACIJQRHV-LLVKDONJSA-N -1 3 387.173 3.416 20 0 GGADHM COc1ccc(NC(=O)C(F)F)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000192802484 1432892825 /nfs/dbraw/zinc/89/28/25/1432892825.db2.gz MTRCCUXCPBAWRK-UHFFFAOYSA-N -1 3 390.795 3.353 20 0 GGADHM COc1ccccc1-c1nc(C2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)no1 ZINC000192811282 1432893656 /nfs/dbraw/zinc/89/36/56/1432893656.db2.gz ZFPXODYAORWCNV-CQSZACIVSA-N -1 3 395.463 3.490 20 0 GGADHM COc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc12 ZINC000192879138 1432902141 /nfs/dbraw/zinc/90/21/41/1432902141.db2.gz FUBZMEAIJVOAMH-UHFFFAOYSA-N -1 3 390.439 3.152 20 0 GGADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2)CC1 ZINC000192893341 1432904094 /nfs/dbraw/zinc/90/40/94/1432904094.db2.gz YFVLVPWIVCHFDT-UHFFFAOYSA-N -1 3 399.516 3.243 20 0 GGADHM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000192924528 1432908575 /nfs/dbraw/zinc/90/85/75/1432908575.db2.gz KJUKHBRIJSDALR-SNVBAGLBSA-N -1 3 399.987 3.442 20 0 GGADHM O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(O)c1[O-] ZINC000192990194 1432918158 /nfs/dbraw/zinc/91/81/58/1432918158.db2.gz WUBWZAFVUGVIGR-LBPRGKRZSA-N -1 3 391.265 3.117 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC000192995664 1432919076 /nfs/dbraw/zinc/91/90/76/1432919076.db2.gz GFAZWNXYDYZMTH-SECBINFHSA-N -1 3 383.297 3.185 20 0 GGADHM O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193057831 1432929488 /nfs/dbraw/zinc/92/94/88/1432929488.db2.gz WNRNJNMUGDMIJU-HXUWFJFHSA-N -1 3 379.460 3.011 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000193149096 1432945050 /nfs/dbraw/zinc/94/50/50/1432945050.db2.gz ICXFTTLGWVXIES-CQSZACIVSA-N -1 3 387.867 3.274 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c2ccccc21 ZINC000193156462 1432946403 /nfs/dbraw/zinc/94/64/03/1432946403.db2.gz HSDYCZAVJGHIMP-ZDUSSCGKSA-N -1 3 388.464 3.420 20 0 GGADHM COc1ccc(NCc2cnc(-c3ccco3)s2)cc1[N-]S(C)(=O)=O ZINC000193158246 1432947467 /nfs/dbraw/zinc/94/74/67/1432947467.db2.gz VRLNFLOFTJHNAQ-UHFFFAOYSA-N -1 3 379.463 3.395 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c(=O)[n-]1 ZINC000193191923 1432954626 /nfs/dbraw/zinc/95/46/26/1432954626.db2.gz TYJKFZOLFJIDKQ-UHFFFAOYSA-N -1 3 378.432 3.454 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000193245750 1432966773 /nfs/dbraw/zinc/96/67/73/1432966773.db2.gz AVUBVQAUBPADSK-NRFANRHFSA-N -1 3 379.435 3.364 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccccc2F)c1 ZINC000193464414 1433003766 /nfs/dbraw/zinc/00/37/66/1433003766.db2.gz ZUBVTAZQJJEBEJ-UHFFFAOYSA-N -1 3 383.379 3.053 20 0 GGADHM O=C(Nc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193483767 1433006776 /nfs/dbraw/zinc/00/67/76/1433006776.db2.gz VUYGVAFPLIWEIQ-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM O=C(C[C@@H]1CCCOC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000193536358 1433016295 /nfs/dbraw/zinc/01/62/95/1433016295.db2.gz VPHVPJNKDRIDDX-ZDUSSCGKSA-N -1 3 380.872 3.039 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[n-]1 ZINC000193559643 1433019621 /nfs/dbraw/zinc/01/96/21/1433019621.db2.gz MNFHGMYWCBCGBX-UHFFFAOYSA-N -1 3 379.457 3.255 20 0 GGADHM Cc1cc([C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)s1 ZINC000193677562 1433039106 /nfs/dbraw/zinc/03/91/06/1433039106.db2.gz WUHHOIJNMFPXPW-AWEZNQCLSA-N -1 3 387.505 3.299 20 0 GGADHM O=C(CSc1nc2n[nH]cc2c(=O)[n-]1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000193736099 1433049877 /nfs/dbraw/zinc/04/98/77/1433049877.db2.gz HYXKMKSZWRSVRJ-QGZVFWFLSA-N -1 3 397.504 3.176 20 0 GGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc2F)c1 ZINC000193822362 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384.517 3.459 20 0 GGADHM O=c1[n-]nc(SCc2ncc(-c3ccc(Cl)cc3)o2)n1C[C@@H]1CCCO1 ZINC000198657508 1433350815 /nfs/dbraw/zinc/35/08/15/1433350815.db2.gz AMNZSQGSOXIUIN-ZDUSSCGKSA-N -1 3 392.868 3.351 20 0 GGADHM Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C)cc4[O-])CC3)n2)cc1 ZINC000198734132 1433351007 /nfs/dbraw/zinc/35/10/07/1433351007.db2.gz WIXMIEJMPUWBIV-UHFFFAOYSA-N -1 3 392.459 3.017 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1cccnc1Cl ZINC000217736461 1433364613 /nfs/dbraw/zinc/36/46/13/1433364613.db2.gz BUFWAAHBUSQPQC-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000237118003 1433389722 /nfs/dbraw/zinc/38/97/22/1433389722.db2.gz BMJWRDAPFITSDZ-UHFFFAOYSA-N -1 3 380.488 3.055 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000237141229 1433390577 /nfs/dbraw/zinc/39/05/77/1433390577.db2.gz IDCRSYCRBKYAPD-UHFFFAOYSA-N -1 3 376.840 3.221 20 0 GGADHM Cc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237642955 1433414542 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377.293 3.014 20 0 GGADHM CSc1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)n1-c1ccc(F)cc1 ZINC000247490683 1433729397 /nfs/dbraw/zinc/72/93/97/1433729397.db2.gz BIONUKHXQXKKRM-UHFFFAOYSA-N -1 3 386.334 3.123 20 0 GGADHM CSc1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)n1-c1ccc(F)cc1 ZINC000247490683 1433729404 /nfs/dbraw/zinc/72/94/04/1433729404.db2.gz BIONUKHXQXKKRM-UHFFFAOYSA-N -1 3 386.334 3.123 20 0 GGADHM O=c1[n-]nc(SCc2cc(-c3ccc(Cl)cc3)no2)n1C[C@H]1CCCO1 ZINC000247824907 1433752957 /nfs/dbraw/zinc/75/29/57/1433752957.db2.gz ISGQPFBQVJXAFY-CYBMUJFWSA-N -1 3 392.868 3.351 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C3CC3)c2)cc1 ZINC000248120330 1433770876 /nfs/dbraw/zinc/77/08/76/1433770876.db2.gz REYYMYGPASSIHT-CQSZACIVSA-N -1 3 388.489 3.333 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@H]3C[C@@H](O)c3ccccc3)cc(=O)oc12 ZINC000248223130 1433780585 /nfs/dbraw/zinc/78/05/85/1433780585.db2.gz OSPDZRHEZMSYCR-WIYYLYMNSA-N -1 3 395.455 3.132 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H](C)O1 ZINC000248417073 1433801059 /nfs/dbraw/zinc/80/10/59/1433801059.db2.gz QQXPLIFJFDCGMQ-MNDZRTMASA-N -1 3 396.487 3.326 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000248586035 1433809853 /nfs/dbraw/zinc/80/98/53/1433809853.db2.gz GDBGNARDJJERNW-QJPTWQEYSA-N -1 3 398.301 3.226 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000248613457 1433811413 /nfs/dbraw/zinc/81/14/13/1433811413.db2.gz YEMAVXUDIAZIAT-HNJRGHQBSA-N -1 3 388.483 3.282 20 0 GGADHM [O-]C(c1ccccc1)=C1[C@@H](c2ccsc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000249253014 1433839721 /nfs/dbraw/zinc/83/97/21/1433839721.db2.gz ZFFYCPHHYMMIRM-ZOWXZIJZSA-N -1 3 386.420 3.017 20 0 GGADHM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000251990240 1433861953 /nfs/dbraw/zinc/86/19/53/1433861953.db2.gz IVHQVQRVXKOUGH-CYBMUJFWSA-N -1 3 376.453 3.100 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)c2)n1 ZINC000253542953 1433868633 /nfs/dbraw/zinc/86/86/33/1433868633.db2.gz KVLIGQYTADQHSO-HBUWYVDXSA-N -1 3 396.491 3.291 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCS[C@@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253551987 1433869207 /nfs/dbraw/zinc/86/92/07/1433869207.db2.gz DZJVZRADCGVBKX-VXGBXAGGSA-N -1 3 393.534 3.352 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H]3C[C@H](C)O)nc(=O)c2c1C ZINC000253554990 1433869262 /nfs/dbraw/zinc/86/92/62/1433869262.db2.gz XMSPXLFUJSRVSW-WCFLWFBJSA-N -1 3 393.509 3.178 20 0 GGADHM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000253594014 1433869831 /nfs/dbraw/zinc/86/98/31/1433869831.db2.gz IRRBGUJNYNRVMU-UHFFFAOYSA-N -1 3 388.464 3.168 20 0 GGADHM COc1cc(C=N[N-]C(=O)c2nc(Cl)c(Cl)c(N)c2Cl)ccc1O ZINC000254399492 1433871147 /nfs/dbraw/zinc/87/11/47/1433871147.db2.gz UVOILCKHMIOQLH-UHFFFAOYSA-N -1 3 389.626 3.102 20 0 GGADHM CC(=NNc1nc2ccccc2c(=O)n1C)c1cc(Br)ccc1[O-] ZINC000254849772 1433872298 /nfs/dbraw/zinc/87/22/98/1433872298.db2.gz UDOPSFZHPQXSDT-UHFFFAOYSA-N -1 3 387.237 3.238 20 0 GGADHM O=C(/C=C\c1cccc(OC2CCCC2)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000255329821 1433880521 /nfs/dbraw/zinc/88/05/21/1433880521.db2.gz CARWRJJEIHJLFU-JYRVWZFOSA-N -1 3 394.471 3.273 20 0 GGADHM O=C1[N-]C(=O)/C(=C\NCc2ccc(Oc3cccnc3)c(F)c2)c2ccccc21 ZINC000255345537 1433881036 /nfs/dbraw/zinc/88/10/36/1433881036.db2.gz SFBVFKQTRADETP-AQTBWJFISA-N -1 3 389.386 3.414 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255361458 1433881210 /nfs/dbraw/zinc/88/12/10/1433881210.db2.gz FJGBRQBEHKQQMQ-PDGQHHTCSA-N -1 3 398.484 3.123 20 0 GGADHM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000255363177 1433881306 /nfs/dbraw/zinc/88/13/06/1433881306.db2.gz LSDVDLCKVHEFRD-SQFISAMPSA-N -1 3 384.863 3.434 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000255543163 1433884577 /nfs/dbraw/zinc/88/45/77/1433884577.db2.gz FZRJAPRKEWDPKX-AQTBWJFISA-N -1 3 377.444 3.328 20 0 GGADHM O=C(NCc1ccccc1)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255621764 1433886638 /nfs/dbraw/zinc/88/66/38/1433886638.db2.gz XXHPROMHUGHUHJ-QNGOZBTKSA-N -1 3 397.434 3.340 20 0 GGADHM O=C(/C=C\c1ccc2c(c1)OCO2)NCc1ccc([O-])c(Br)c1 ZINC000255619393 1433886710 /nfs/dbraw/zinc/88/67/10/1433886710.db2.gz ZISXXSVYUGMRMT-UTCJRWHESA-N -1 3 376.206 3.213 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000255642092 1433887334 /nfs/dbraw/zinc/88/73/34/1433887334.db2.gz PVQWGWHXDUQWRS-UYYNQVTBSA-N -1 3 376.456 3.363 20 0 GGADHM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000255759512 1433889149 /nfs/dbraw/zinc/88/91/49/1433889149.db2.gz LQWWUCHZHYNKSN-IVOILVROSA-N -1 3 382.460 3.129 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc21 ZINC000255777591 1433889588 /nfs/dbraw/zinc/88/95/88/1433889588.db2.gz VGBQZKZCASZQSN-RGEXLXHISA-N -1 3 399.454 3.395 20 0 GGADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000261768576 1433902631 /nfs/dbraw/zinc/90/26/31/1433902631.db2.gz DNZZXHBIXWPHPN-UHFFFAOYSA-N -1 3 384.461 3.184 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000262062605 1433925292 /nfs/dbraw/zinc/92/52/92/1433925292.db2.gz BYWMSCZBQAQPBH-DYZYQPBXSA-N -1 3 388.798 3.067 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262072603 1433925810 /nfs/dbraw/zinc/92/58/10/1433925810.db2.gz DDDCWSKLHLQVRH-PNLZDCPESA-N -1 3 396.491 3.003 20 0 GGADHM C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262109508 1433927398 /nfs/dbraw/zinc/92/73/98/1433927398.db2.gz IKNBWJGJHCKAPX-QEEYODRMSA-N -1 3 391.537 3.384 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000262986315 1433973380 /nfs/dbraw/zinc/97/33/80/1433973380.db2.gz UTMYMGFCICCAKH-LJQANCHMSA-N -1 3 397.475 3.162 20 0 GGADHM CC(=O)c1c(C)cc(C)c(CN2CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC2)c1C ZINC000263013221 1433976701 /nfs/dbraw/zinc/97/67/01/1433976701.db2.gz ZAMDLURLTGJMMD-LJQANCHMSA-N -1 3 388.508 3.102 20 0 GGADHM CC(=O)c1c(C)cc(C)c(CN2CCC[C@H](N(CC(=O)[O-])C(C)=O)CC2)c1C ZINC000263013216 1433976964 /nfs/dbraw/zinc/97/69/64/1433976964.db2.gz ZAMDLURLTGJMMD-IBGZPJMESA-N -1 3 388.508 3.102 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000263017384 1433977311 /nfs/dbraw/zinc/97/73/11/1433977311.db2.gz ZMGURRBWUZNCQK-INIZCTEOSA-N -1 3 389.883 3.176 20 0 GGADHM O=C([O-])[C@@H]1CN(CCOc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000263084607 1433984012 /nfs/dbraw/zinc/98/40/12/1433984012.db2.gz XVAPPQXKSSNZQF-VXGBXAGGSA-N -1 3 387.276 3.159 20 0 GGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000263101521 1433985608 /nfs/dbraw/zinc/98/56/08/1433985608.db2.gz BAAMIRMEKUNDHI-FXAWDEMLSA-N -1 3 380.488 3.277 20 0 GGADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263156758 1433990802 /nfs/dbraw/zinc/99/08/02/1433990802.db2.gz FVCHOBWOBNLNMZ-UWVAXJGDSA-N -1 3 380.488 3.323 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000263202097 1433994429 /nfs/dbraw/zinc/99/44/29/1433994429.db2.gz VHDIHKZYGYVKCZ-NRFANRHFSA-N -1 3 376.472 3.284 20 0 GGADHM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000263328714 1434002207 /nfs/dbraw/zinc/00/22/07/1434002207.db2.gz LBIHBSZXNWRUQT-ZFWWWQNUSA-N -1 3 398.425 3.239 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC000263344765 1434002628 /nfs/dbraw/zinc/00/26/28/1434002628.db2.gz OHYLLDQJCPMYCZ-AHRSYUTCSA-N -1 3 389.540 3.240 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC000263344767 1434002973 /nfs/dbraw/zinc/00/29/73/1434002973.db2.gz OHYLLDQJCPMYCZ-UXPWSPDFSA-N -1 3 389.540 3.240 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263355227 1434003155 /nfs/dbraw/zinc/00/31/55/1434003155.db2.gz QQJPKPDBAZSUDB-QGPMSJSTSA-N -1 3 395.931 3.475 20 0 GGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263367191 1434003885 /nfs/dbraw/zinc/00/38/85/1434003885.db2.gz UGDWEQFPJRKMJR-CRAIPNDOSA-N -1 3 388.552 3.302 20 0 GGADHM O=C([O-])c1ccc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000263379575 1434004486 /nfs/dbraw/zinc/00/44/86/1434004486.db2.gz BIDCGHDIKIBDLH-HNNXBMFYSA-N -1 3 378.350 3.299 20 0 GGADHM COc1c(Br)cc(Br)cc1CN(C)CCC(=O)[O-] ZINC000263422923 1434006190 /nfs/dbraw/zinc/00/61/90/1434006190.db2.gz PLEDFYMYIIDXFL-UHFFFAOYSA-N -1 3 381.064 3.127 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263465302 1434007739 /nfs/dbraw/zinc/00/77/39/1434007739.db2.gz CNVHUIPWTKIZCK-HZPDHXFCSA-N -1 3 385.361 3.323 20 0 GGADHM CCCNC(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000263691834 1434021525 /nfs/dbraw/zinc/02/15/25/1434021525.db2.gz PZZCSALOKSXCDA-UHFFFAOYSA-N -1 3 380.488 3.361 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@H](C)C3)c2)c1 ZINC000263724481 1434025587 /nfs/dbraw/zinc/02/55/87/1434025587.db2.gz SKSQYLMKNUGCLP-ZDUSSCGKSA-N -1 3 384.432 3.144 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1OC ZINC000263812421 1434036778 /nfs/dbraw/zinc/03/67/78/1434036778.db2.gz NNWSXAHLVYAHGM-UHFFFAOYSA-N -1 3 389.477 3.268 20 0 GGADHM CCOCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000263978726 1434056816 /nfs/dbraw/zinc/05/68/16/1434056816.db2.gz ALESSEBAWGKAOD-UHFFFAOYSA-N -1 3 380.441 3.300 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N4CCCC4)nn3)c2)n1 ZINC000263999311 1434059898 /nfs/dbraw/zinc/05/98/98/1434059898.db2.gz KKMXIFIPUSCAGF-UHFFFAOYSA-N -1 3 390.447 3.054 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1OC ZINC000264066856 1434068513 /nfs/dbraw/zinc/06/85/13/1434068513.db2.gz YHJXZORLNLQOEY-MRXNPFEDSA-N -1 3 381.498 3.253 20 0 GGADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(C)n1C ZINC000264203924 1434081674 /nfs/dbraw/zinc/08/16/74/1434081674.db2.gz DZPYSIYZGUCGSJ-UHFFFAOYSA-N -1 3 389.399 3.285 20 0 GGADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000264285257 1434092506 /nfs/dbraw/zinc/09/25/06/1434092506.db2.gz GGBTYMDTVFJDSR-LBPRGKRZSA-N -1 3 376.434 3.013 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2Cc3ccccc3C2)cc1OC ZINC000264321331 1434097097 /nfs/dbraw/zinc/09/70/97/1434097097.db2.gz AYXQQHSJEDQIJL-UHFFFAOYSA-N -1 3 375.450 3.005 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000264353001 1434101028 /nfs/dbraw/zinc/10/10/28/1434101028.db2.gz DFEXAFGXVRTJOO-AWEZNQCLSA-N -1 3 376.478 3.274 20 0 GGADHM COc1ccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000264394607 1434106826 /nfs/dbraw/zinc/10/68/26/1434106826.db2.gz FLKZCUQCPUQIAA-CYBMUJFWSA-N -1 3 378.469 3.166 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCc2ccccc2C1 ZINC000264427575 1434111253 /nfs/dbraw/zinc/11/12/53/1434111253.db2.gz NUNXDWLXFYHMPF-UHFFFAOYSA-N -1 3 388.471 3.460 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000264499160 1434120789 /nfs/dbraw/zinc/12/07/89/1434120789.db2.gz HZKSCQPKDYTPMQ-MRXNPFEDSA-N -1 3 392.434 3.250 20 0 GGADHM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000264601079 1434133240 /nfs/dbraw/zinc/13/32/40/1434133240.db2.gz BRGPCQKWSMXQRF-QGZVFWFLSA-N -1 3 375.450 3.251 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000264740942 1434150550 /nfs/dbraw/zinc/15/05/50/1434150550.db2.gz KHYBPRAZKNOAKC-CQSZACIVSA-N -1 3 390.443 3.299 20 0 GGADHM CC(C)(C)OC(=O)NCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000264983688 1434171224 /nfs/dbraw/zinc/17/12/24/1434171224.db2.gz IBHLHZYJUYDZCL-UHFFFAOYSA-N -1 3 387.465 3.138 20 0 GGADHM O=C(Nc1ccc(OCC2CC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000265052253 1434178862 /nfs/dbraw/zinc/17/88/62/1434178862.db2.gz UZOOCUGJTCOYJB-UHFFFAOYSA-N -1 3 395.459 3.171 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)cc1 ZINC000265254148 1434207914 /nfs/dbraw/zinc/20/79/14/1434207914.db2.gz KQNUJZLKKZDOJA-UHFFFAOYSA-N -1 3 397.518 3.129 20 0 GGADHM CCc1cnccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000265261390 1434209326 /nfs/dbraw/zinc/20/93/26/1434209326.db2.gz VIPXLIILLNMOIN-UHFFFAOYSA-N -1 3 379.457 3.112 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1 ZINC000265577923 1434247695 /nfs/dbraw/zinc/24/76/95/1434247695.db2.gz FUNZBUKWTNSUOD-UHFFFAOYSA-N -1 3 391.489 3.439 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](SC)c2ccccc2)cc1OC ZINC000265754287 1434262694 /nfs/dbraw/zinc/26/26/94/1434262694.db2.gz FOTASQQAQILQFK-KRWDZBQOSA-N -1 3 394.518 3.500 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(N4CCCC4)n3)c2)n1 ZINC000265755713 1434262821 /nfs/dbraw/zinc/26/28/21/1434262821.db2.gz ITRWOBIKDVWFIO-UHFFFAOYSA-N -1 3 390.447 3.054 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(COC2CCCC2)cc1 ZINC000265783941 1434264929 /nfs/dbraw/zinc/26/49/29/1434264929.db2.gz FYKMDASPAPYXGD-UHFFFAOYSA-N -1 3 397.475 3.403 20 0 GGADHM O=C(CC1CCCC1)NC1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000265819541 1434268146 /nfs/dbraw/zinc/26/81/46/1434268146.db2.gz RNWDJCSBTVECON-UHFFFAOYSA-N -1 3 376.472 3.403 20 0 GGADHM O=C(Nc1cccc(F)c1)C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000265831872 1434269923 /nfs/dbraw/zinc/26/99/23/1434269923.db2.gz SCSCDKOGWLLJKD-UHFFFAOYSA-N -1 3 389.402 3.231 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccncc1 ZINC000266414955 1434333017 /nfs/dbraw/zinc/33/30/17/1434333017.db2.gz JUBKVIPVBWDIFK-OAHLLOKOSA-N -1 3 392.481 3.125 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1N1CCOC1=O ZINC000266521099 1434346186 /nfs/dbraw/zinc/34/61/86/1434346186.db2.gz CPHUUGQPLVGUJU-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)cc1C ZINC000266608414 1434353924 /nfs/dbraw/zinc/35/39/24/1434353924.db2.gz QTWUDGCDQGECGD-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](CC(C)C)C2)cc1OC ZINC000266641451 1434357768 /nfs/dbraw/zinc/35/77/68/1434357768.db2.gz ULJLEYUWVJBJAI-AWEZNQCLSA-N -1 3 383.514 3.357 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](CC(C)C)C2)cc1OC ZINC000266641453 1434357816 /nfs/dbraw/zinc/35/78/16/1434357816.db2.gz ULJLEYUWVJBJAI-CQSZACIVSA-N -1 3 383.514 3.357 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000266731819 1434368801 /nfs/dbraw/zinc/36/88/01/1434368801.db2.gz MADQASJJRXSRJO-GTNSWQLSSA-N -1 3 387.411 3.201 20 0 GGADHM CCOC(=O)[C@H](NCc1cc(=O)oc2cc([O-])c(CC)cc12)c1cccc(O)c1 ZINC000266871628 1434383733 /nfs/dbraw/zinc/38/37/33/1434383733.db2.gz QLEZZZKZOQDTGG-OAQYLSRUSA-N -1 3 397.427 3.161 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000266940520 1434390727 /nfs/dbraw/zinc/39/07/27/1434390727.db2.gz BEPZKGRQXBBQFP-UHFFFAOYSA-N -1 3 388.493 3.159 20 0 GGADHM COC(=O)Nc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1F ZINC000266951158 1434391917 /nfs/dbraw/zinc/39/19/17/1434391917.db2.gz FCZWZQPNLMFREP-UHFFFAOYSA-N -1 3 376.388 3.358 20 0 GGADHM CCCCOC(=O)c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000266988749 1434396453 /nfs/dbraw/zinc/39/64/53/1434396453.db2.gz UKZUTAGXZNVXKJ-UHFFFAOYSA-N -1 3 375.450 3.422 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000267020113 1434399508 /nfs/dbraw/zinc/39/95/08/1434399508.db2.gz PHOUXEAVZMRKLI-UHFFFAOYSA-N -1 3 386.427 3.306 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000267039139 1434402012 /nfs/dbraw/zinc/40/20/12/1434402012.db2.gz TXSJHTDHYIAKJN-TXEJJXNPSA-N -1 3 388.493 3.078 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000267059323 1434404016 /nfs/dbraw/zinc/40/40/16/1434404016.db2.gz GSUIYXYLLFLSJB-UHFFFAOYSA-N -1 3 389.477 3.270 20 0 GGADHM CCc1ocnc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000267112218 1434408369 /nfs/dbraw/zinc/40/83/69/1434408369.db2.gz BYHRAYTWIFFKPX-UHFFFAOYSA-N -1 3 377.828 3.087 20 0 GGADHM CCOCCOCc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1C ZINC000267171621 1434411957 /nfs/dbraw/zinc/41/19/57/1434411957.db2.gz UNFDPVSRRGHEEX-UHFFFAOYSA-N -1 3 391.493 3.326 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC000267217249 1434414845 /nfs/dbraw/zinc/41/48/45/1434414845.db2.gz ZRXAXMZTCYHXFA-UHFFFAOYSA-N -1 3 390.465 3.099 20 0 GGADHM O=C(NCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CCCC1 ZINC000267275230 1434418743 /nfs/dbraw/zinc/41/87/43/1434418743.db2.gz TWYBHVFVJVNPIC-UHFFFAOYSA-N -1 3 397.504 3.310 20 0 GGADHM O=C(N[C@H]1CCCSC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000267280281 1434418971 /nfs/dbraw/zinc/41/89/71/1434418971.db2.gz RZZDEPGOOBDULP-AWEZNQCLSA-N -1 3 394.493 3.252 20 0 GGADHM COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1cc(F)ccc1[O-] ZINC000267313819 1434421970 /nfs/dbraw/zinc/42/19/70/1434421970.db2.gz FBLVZZIHEQQHQO-AWEZNQCLSA-N -1 3 392.452 3.030 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000267370160 1434426619 /nfs/dbraw/zinc/42/66/19/1434426619.db2.gz UFNLDMWVLNYOKM-AWEZNQCLSA-N -1 3 397.928 3.301 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000267884693 1434474035 /nfs/dbraw/zinc/47/40/35/1434474035.db2.gz XIFQPLCKMRZTQK-GOSISDBHSA-N -1 3 398.507 3.149 20 0 GGADHM CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc(C)cc3[O-])CC2)cs1 ZINC000267911556 1434476278 /nfs/dbraw/zinc/47/62/78/1434476278.db2.gz XWYTZNBSNCUTRI-HNNXBMFYSA-N -1 3 389.521 3.213 20 0 GGADHM CC[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N(CC)CC ZINC000267944323 1434479637 /nfs/dbraw/zinc/47/96/37/1434479637.db2.gz APSGGPLUVGMAQC-OAHLLOKOSA-N -1 3 396.538 3.003 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000268196209 1434501003 /nfs/dbraw/zinc/50/10/03/1434501003.db2.gz FPLBYSKGLDJNHC-WMLDXEAASA-N -1 3 380.872 3.180 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000268287512 1434508836 /nfs/dbraw/zinc/50/88/36/1434508836.db2.gz QZXCFGOLOBXILE-DZGCQCFKSA-N -1 3 395.475 3.366 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)Cc3nc4ccccc4o3)nc(=O)c2c1C ZINC000268301583 1434510112 /nfs/dbraw/zinc/51/01/12/1434510112.db2.gz DVCVRCZEMLHLTF-UHFFFAOYSA-N -1 3 398.444 3.265 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)n1 ZINC000268312138 1434511178 /nfs/dbraw/zinc/51/11/78/1434511178.db2.gz HQHDPBPBHHKEIS-UONOGXRCSA-N -1 3 398.488 3.233 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2Cl)cc1 ZINC000268342238 1434514110 /nfs/dbraw/zinc/51/41/10/1434514110.db2.gz AZBGLVGWRBZIHY-UHFFFAOYSA-N -1 3 397.884 3.026 20 0 GGADHM COCCc1noc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000268410660 1434520258 /nfs/dbraw/zinc/52/02/58/1434520258.db2.gz IKZOGGOYPDZZQF-UHFFFAOYSA-N -1 3 383.404 3.029 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)n1 ZINC000268577308 1434536012 /nfs/dbraw/zinc/53/60/12/1434536012.db2.gz JLJFCDUNIPIHIL-NSHDSACASA-N -1 3 377.466 3.022 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000268755126 1434553302 /nfs/dbraw/zinc/55/33/02/1434553302.db2.gz UDMPUZDAYWQFNZ-CQSZACIVSA-N -1 3 385.464 3.460 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCC[C@H](C)C(C)=O)cc1OC ZINC000269207087 1434607309 /nfs/dbraw/zinc/60/73/09/1434607309.db2.gz UREMNNVFPQIOHL-ZDUSSCGKSA-N -1 3 384.498 3.181 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1OC ZINC000269371824 1434632839 /nfs/dbraw/zinc/63/28/39/1434632839.db2.gz YKNALWBFKKTUPS-UHFFFAOYSA-N -1 3 377.466 3.228 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3C[C@@H](C)CC3(C)C)nc(=O)c2c1C ZINC000269414435 1434641334 /nfs/dbraw/zinc/64/13/34/1434641334.db2.gz GXDOYOSIKGGREE-NSHDSACASA-N -1 3 393.509 3.129 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(N2CCCNC2=O)CC1 ZINC000269629778 1434664915 /nfs/dbraw/zinc/66/49/15/1434664915.db2.gz KVONWGJPPNFIMD-UHFFFAOYSA-N -1 3 395.459 3.204 20 0 GGADHM O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000269665519 1434667772 /nfs/dbraw/zinc/66/77/72/1434667772.db2.gz HBCGVUMCUIPCJN-ZIAGYGMSSA-N -1 3 392.484 3.427 20 0 GGADHM O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000269665508 1434667832 /nfs/dbraw/zinc/66/78/32/1434667832.db2.gz HBCGVUMCUIPCJN-KBPBESRZSA-N -1 3 392.484 3.427 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000269694443 1434669838 /nfs/dbraw/zinc/66/98/38/1434669838.db2.gz YBBFBOMRSCPWSX-GOSISDBHSA-N -1 3 393.436 3.051 20 0 GGADHM CCCCOc1c(Cl)cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1OC ZINC000269721362 1434671944 /nfs/dbraw/zinc/67/19/44/1434671944.db2.gz SFEWSXWFGMMLEW-UHFFFAOYSA-N -1 3 391.855 3.222 20 0 GGADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000269892600 1434684596 /nfs/dbraw/zinc/68/45/96/1434684596.db2.gz BMWUTMLBYQCTQP-CQSZACIVSA-N -1 3 386.448 3.289 20 0 GGADHM COc1cc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cc(OC)c1[O-] ZINC000269911358 1434686298 /nfs/dbraw/zinc/68/62/98/1434686298.db2.gz GNZLGVMXXKICLU-UHFFFAOYSA-N -1 3 399.472 3.291 20 0 GGADHM COc1ccc(C(=O)C2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)cc1 ZINC000269920914 1434686913 /nfs/dbraw/zinc/68/69/13/1434686913.db2.gz IWXBCQPVUXERKR-UHFFFAOYSA-N -1 3 399.443 3.153 20 0 GGADHM CCOc1ccc(CCNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OCC ZINC000269953537 1434689586 /nfs/dbraw/zinc/68/95/86/1434689586.db2.gz QLFORHGLYJKIQU-UHFFFAOYSA-N -1 3 389.448 3.179 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)cc(OC)c1[O-] ZINC000269964964 1434690553 /nfs/dbraw/zinc/69/05/53/1434690553.db2.gz UEXVNNVXUIEWKQ-JTQLQIEISA-N -1 3 379.384 3.057 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)cc(OC)c1[O-] ZINC000269964965 1434690627 /nfs/dbraw/zinc/69/06/27/1434690627.db2.gz UEXVNNVXUIEWKQ-SNVBAGLBSA-N -1 3 379.384 3.057 20 0 GGADHM COc1cc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc(OC)c1[O-] ZINC000269971579 1434691051 /nfs/dbraw/zinc/69/10/51/1434691051.db2.gz VYAAXAWXEBFXMP-UHFFFAOYSA-N -1 3 385.338 3.281 20 0 GGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)c(OC)c1 ZINC000269981536 1434691559 /nfs/dbraw/zinc/69/15/59/1434691559.db2.gz YSZQKUJGFIKSFS-INIZCTEOSA-N -1 3 387.432 3.404 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000270016549 1434693712 /nfs/dbraw/zinc/69/37/12/1434693712.db2.gz CIQIOWYXVIOENJ-KRWDZBQOSA-N -1 3 382.416 3.099 20 0 GGADHM COC(=O)CCSc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000270035910 1434695304 /nfs/dbraw/zinc/69/53/04/1434695304.db2.gz BQUZAGGNPXWWEK-UHFFFAOYSA-N -1 3 393.490 3.120 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000270051289 1434697250 /nfs/dbraw/zinc/69/72/50/1434697250.db2.gz NEXHBAXXLFCQSD-LBPRGKRZSA-N -1 3 396.447 3.126 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000270061055 1434698149 /nfs/dbraw/zinc/69/81/49/1434698149.db2.gz QAURYRCHDGQVBG-QGZVFWFLSA-N -1 3 382.416 3.099 20 0 GGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000270077491 1434700056 /nfs/dbraw/zinc/70/00/56/1434700056.db2.gz WGTAYSJVZBKHKL-KRWDZBQOSA-N -1 3 384.432 3.345 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1 ZINC000270116485 1434704896 /nfs/dbraw/zinc/70/48/96/1434704896.db2.gz NUGOSOSYAQNLMH-QGZVFWFLSA-N -1 3 392.459 3.314 20 0 GGADHM O=C([N-]Cc1ccnc(OC2CCOCC2)c1)C(F)(F)c1c(F)cccc1F ZINC000270175820 1434709868 /nfs/dbraw/zinc/70/98/68/1434709868.db2.gz IIZPABJZDGEWGV-UHFFFAOYSA-N -1 3 398.356 3.326 20 0 GGADHM CC1=C(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCCO1 ZINC000270276164 1434718945 /nfs/dbraw/zinc/71/89/45/1434718945.db2.gz XBGPMRAUFWLCPZ-UHFFFAOYSA-N -1 3 378.856 3.307 20 0 GGADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1CCO[C@H]1CCCCO1 ZINC000270362192 1434726666 /nfs/dbraw/zinc/72/66/66/1434726666.db2.gz JITIOAGKMHSXSH-KRWDZBQOSA-N -1 3 379.844 3.346 20 0 GGADHM COc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000270686415 1434761740 /nfs/dbraw/zinc/76/17/40/1434761740.db2.gz IWWISNDXZXAXFD-KRWDZBQOSA-N -1 3 395.814 3.416 20 0 GGADHM CCOc1c(Cl)cc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000270690958 1434762611 /nfs/dbraw/zinc/76/26/11/1434762611.db2.gz HGASSEKGDLALPL-UHFFFAOYSA-N -1 3 395.839 3.400 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc(OC)c1[O-] ZINC000270761190 1434771761 /nfs/dbraw/zinc/77/17/61/1434771761.db2.gz XRIITSZQSPPEEO-GFCCVEGCSA-N -1 3 399.447 3.184 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccc(F)n2)CC1 ZINC000270815019 1434777895 /nfs/dbraw/zinc/77/78/95/1434777895.db2.gz PBAGYPFGWDERIW-UHFFFAOYSA-N -1 3 377.803 3.071 20 0 GGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000270867977 1434783362 /nfs/dbraw/zinc/78/33/62/1434783362.db2.gz MHWFCGLFFXSKQG-UHFFFAOYSA-N -1 3 378.375 3.103 20 0 GGADHM COCCCOc1cc(C)ccc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270872394 1434783686 /nfs/dbraw/zinc/78/36/86/1434783686.db2.gz JYFXXYJZOAWHNL-UHFFFAOYSA-N -1 3 389.448 3.063 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000270906261 1434786804 /nfs/dbraw/zinc/78/68/04/1434786804.db2.gz AMEVIMDUWZTNRC-CQSZACIVSA-N -1 3 396.532 3.050 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000270963991 1434791465 /nfs/dbraw/zinc/79/14/65/1434791465.db2.gz HCZWFAYHZOANQR-SJORKVTESA-N -1 3 389.423 3.277 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000270963981 1434791548 /nfs/dbraw/zinc/79/15/48/1434791548.db2.gz HCZWFAYHZOANQR-DLBZAZTESA-N -1 3 389.423 3.277 20 0 GGADHM COc1cc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000271043892 1434798116 /nfs/dbraw/zinc/79/81/16/1434798116.db2.gz RLZWBRSSGUQANC-ZDUSSCGKSA-N -1 3 377.824 3.356 20 0 GGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000271047970 1434798356 /nfs/dbraw/zinc/79/83/56/1434798356.db2.gz MZPQTENWENYUGZ-UHFFFAOYSA-N -1 3 376.434 3.233 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc(OC)c1[O-] ZINC000271195254 1434807546 /nfs/dbraw/zinc/80/75/46/1434807546.db2.gz WNEWYTCGBVPABH-OAHLLOKOSA-N -1 3 381.432 3.064 20 0 GGADHM C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000271211748 1434808394 /nfs/dbraw/zinc/80/83/94/1434808394.db2.gz BGFXIQYPBANWCY-CQSZACIVSA-N -1 3 389.473 3.222 20 0 GGADHM CCC[C@H]1SCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271245211 1434810484 /nfs/dbraw/zinc/81/04/84/1434810484.db2.gz FWFLGSGGYWPRGC-MRXNPFEDSA-N -1 3 375.450 3.256 20 0 GGADHM CCC[C@@H]1SCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271245210 1434810550 /nfs/dbraw/zinc/81/05/50/1434810550.db2.gz FWFLGSGGYWPRGC-INIZCTEOSA-N -1 3 375.450 3.256 20 0 GGADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271262009 1434811527 /nfs/dbraw/zinc/81/15/27/1434811527.db2.gz KVBHZVXQBFQPRG-ZIAGYGMSSA-N -1 3 377.462 3.078 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000271270022 1434812240 /nfs/dbraw/zinc/81/22/40/1434812240.db2.gz LMFMWGQYVGMQNN-JSGCOSHPSA-N -1 3 389.477 3.345 20 0 GGADHM CCSCC[C@@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271293789 1434813855 /nfs/dbraw/zinc/81/38/55/1434813855.db2.gz QRKQWUZTPFLVHI-LLVKDONJSA-N -1 3 377.466 3.202 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271298829 1434814168 /nfs/dbraw/zinc/81/41/68/1434814168.db2.gz RVXSGSRIBNXHQP-DOTOQJQBSA-N -1 3 389.477 3.345 20 0 GGADHM CCO[C@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C12CCC2 ZINC000271325825 1434816299 /nfs/dbraw/zinc/81/62/99/1434816299.db2.gz YGNIXYLADQNLRR-MSOLQXFVSA-N -1 3 399.447 3.018 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1NC(C)=O ZINC000271338253 1434817329 /nfs/dbraw/zinc/81/73/29/1434817329.db2.gz CBATVRBMUDCLMI-UHFFFAOYSA-N -1 3 378.450 3.242 20 0 GGADHM COc1cc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)cc(OC)c1[O-] ZINC000271360157 1434819118 /nfs/dbraw/zinc/81/91/18/1434819118.db2.gz QRUUPBVCRDMJDL-UHFFFAOYSA-N -1 3 379.453 3.040 20 0 GGADHM COc1cc([C@@H](C)NCc2cc(=O)oc3cc([O-])ccc23)cc(OC)c1OC ZINC000271622022 1434839572 /nfs/dbraw/zinc/83/95/72/1434839572.db2.gz AELIIEBFNDGNED-GFCCVEGCSA-N -1 3 385.416 3.375 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3cccc(OC)c3)nc(=O)c2c1C ZINC000271720219 1434846159 /nfs/dbraw/zinc/84/61/59/1434846159.db2.gz WNZLBLSXCIAPDC-NSHDSACASA-N -1 3 387.461 3.351 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C)cc2)CC1 ZINC000271819123 1434852580 /nfs/dbraw/zinc/85/25/80/1434852580.db2.gz CJODEWBBFGTOCU-UHFFFAOYSA-N -1 3 388.489 3.066 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3C)cc2)CC1 ZINC000271871530 1434856183 /nfs/dbraw/zinc/85/61/83/1434856183.db2.gz KJMVJWQBFCSCEY-UHFFFAOYSA-N -1 3 375.446 3.009 20 0 GGADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000271990450 1434864078 /nfs/dbraw/zinc/86/40/78/1434864078.db2.gz GFBGWSJYHVZQDJ-WBMJQRKESA-N -1 3 375.444 3.433 20 0 GGADHM COc1ccc(N[C@H](C)c2ccc(OC)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000272053449 1434869050 /nfs/dbraw/zinc/86/90/50/1434869050.db2.gz HUYFLOQYPDHWRK-GFCCVEGCSA-N -1 3 380.466 3.257 20 0 GGADHM CSc1ccc(C)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000272089239 1434871473 /nfs/dbraw/zinc/87/14/73/1434871473.db2.gz MYJYTOPIFLSGRO-UHFFFAOYSA-N -1 3 385.489 3.412 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000272108975 1434872735 /nfs/dbraw/zinc/87/27/35/1434872735.db2.gz NAANCDZIDRJPSP-RDTXWAMCSA-N -1 3 377.824 3.323 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000272108970 1434872822 /nfs/dbraw/zinc/87/28/22/1434872822.db2.gz NAANCDZIDRJPSP-KSSFIOAISA-N -1 3 377.824 3.323 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1OC1CCOCC1 ZINC000272121955 1434873435 /nfs/dbraw/zinc/87/34/35/1434873435.db2.gz SLBNMVYDOBIUQG-UHFFFAOYSA-N -1 3 391.445 3.082 20 0 GGADHM COc1ccc(OC)c([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000272142487 1434874507 /nfs/dbraw/zinc/87/45/07/1434874507.db2.gz WPSJCISKQVWAOM-LBPRGKRZSA-N -1 3 380.466 3.257 20 0 GGADHM CCC1(O)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000272474075 1434898911 /nfs/dbraw/zinc/89/89/11/1434898911.db2.gz FCVIPOWYKVLUKU-FQEVSTJZSA-N -1 3 396.487 3.017 20 0 GGADHM COCCCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272479592 1434899215 /nfs/dbraw/zinc/89/92/15/1434899215.db2.gz FVLDOQXKTKGYMG-FQEVSTJZSA-N -1 3 384.476 3.186 20 0 GGADHM C[C@@H]1C[C@@H](CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000272525485 1434904383 /nfs/dbraw/zinc/90/43/83/1434904383.db2.gz IJMDDCNYTARKRF-LLGFUMIMSA-N -1 3 396.487 3.185 20 0 GGADHM CCOCCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272653286 1434920056 /nfs/dbraw/zinc/92/00/56/1434920056.db2.gz ZUVFNNWIPAYFGT-FQEVSTJZSA-N -1 3 384.476 3.186 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)cc1OC ZINC000272750401 1434928157 /nfs/dbraw/zinc/92/81/57/1434928157.db2.gz OCCHNQWGTDWHST-PBHICJAKSA-N -1 3 398.525 3.237 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1OC ZINC000272754773 1434928480 /nfs/dbraw/zinc/92/84/80/1434928480.db2.gz NIOZNEHSEHKSMF-JLJPHGGASA-N -1 3 395.525 3.499 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000272931564 1434942076 /nfs/dbraw/zinc/94/20/76/1434942076.db2.gz CLHYBLYYDYRFPC-UHFFFAOYSA-N -1 3 375.450 3.027 20 0 GGADHM COc1cc(C(=O)NCCCCC(=O)OCc2ccccc2)cc(OC)c1[O-] ZINC000272951918 1434943754 /nfs/dbraw/zinc/94/37/54/1434943754.db2.gz YSMMHFHNMRNXAF-UHFFFAOYSA-N -1 3 387.432 3.053 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3Cc4ccccc4OC[C@@H]3C)nc(=O)c2c1C ZINC000272960796 1434944486 /nfs/dbraw/zinc/94/44/86/1434944486.db2.gz NOYJOXZFPRLNIB-NSHDSACASA-N -1 3 399.472 3.275 20 0 GGADHM COCc1nsc([N-]C(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)n1 ZINC000273110146 1434962204 /nfs/dbraw/zinc/96/22/04/1434962204.db2.gz QBCHQUCEQCNDCK-UHFFFAOYSA-N -1 3 397.382 3.450 20 0 GGADHM Cc1ccc(-n2cc(C(=O)N3CCc4c(=O)[n-]cnc4C3)c(C(C)(C)C)n2)cc1 ZINC000273180415 1434969552 /nfs/dbraw/zinc/96/95/52/1434969552.db2.gz FAAAZWHHQHVWIN-UHFFFAOYSA-N -1 3 391.475 3.172 20 0 GGADHM CCOc1ccc(-c2nc(C)c(C(=O)N3CCc4c(=O)[n-]cnc4C3)s2)cc1 ZINC000273223004 1434973577 /nfs/dbraw/zinc/97/35/77/1434973577.db2.gz LHZWCQRKVIUCFY-UHFFFAOYSA-N -1 3 396.472 3.211 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccco2)c1 ZINC000273245626 1434975315 /nfs/dbraw/zinc/97/53/15/1434975315.db2.gz BDNZEPHCLBWZGY-GFCCVEGCSA-N -1 3 383.404 3.285 20 0 GGADHM CSCC[C@@H](C)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273387154 1434985290 /nfs/dbraw/zinc/98/52/90/1434985290.db2.gz DJFCHSMPOKEBOX-LLVKDONJSA-N -1 3 377.466 3.155 20 0 GGADHM CSCC[C@H](C)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273387156 1434985371 /nfs/dbraw/zinc/98/53/71/1434985371.db2.gz DJFCHSMPOKEBOX-NSHDSACASA-N -1 3 377.466 3.155 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273420715 1434987874 /nfs/dbraw/zinc/98/78/74/1434987874.db2.gz HCXOUERKEGHMAY-CVEARBPZSA-N -1 3 375.396 3.199 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)cc1OC ZINC000273485246 1434991565 /nfs/dbraw/zinc/99/15/65/1434991565.db2.gz JPIFHXXEEWGMGC-HIFRSBDPSA-N -1 3 396.509 3.037 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000273532367 1434994947 /nfs/dbraw/zinc/99/49/47/1434994947.db2.gz QXVRZMBRRYUXBE-LRDDRELGSA-N -1 3 389.370 3.442 20 0 GGADHM Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)[N-]OCC(N)=O ZINC000273534486 1434994952 /nfs/dbraw/zinc/99/49/52/1434994952.db2.gz XANJMGNHKXQMAQ-UHFFFAOYSA-N -1 3 399.426 3.270 20 0 GGADHM NC(=O)[C@H]1CCCN1Cc1ccccc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000273759595 1435011581 /nfs/dbraw/zinc/01/15/81/1435011581.db2.gz CUZKJHRIYCTUOE-MRXNPFEDSA-N -1 3 398.850 3.212 20 0 GGADHM COc1cc(C(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000273824888 1435018574 /nfs/dbraw/zinc/01/85/74/1435018574.db2.gz GMWFWTHRDYJMMH-KRWDZBQOSA-N -1 3 391.439 3.380 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc(OC)c1[O-] ZINC000273863931 1435023093 /nfs/dbraw/zinc/02/30/93/1435023093.db2.gz OODFENHVCHCNTG-KGLIPLIRSA-N -1 3 377.462 3.199 20 0 GGADHM CCOc1cc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc(Cl)c1[O-] ZINC000273887730 1435025457 /nfs/dbraw/zinc/02/54/57/1435025457.db2.gz UUPLSOPJDORVCF-UHFFFAOYSA-N -1 3 391.855 3.197 20 0 GGADHM O=C(NC1(c2ncon2)CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000274083044 1435042329 /nfs/dbraw/zinc/04/23/29/1435042329.db2.gz LZDWJWXZJXUSHL-UHFFFAOYSA-N -1 3 381.388 3.003 20 0 GGADHM O=C1C[C@@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CN1C1CC1 ZINC000274092666 1435043047 /nfs/dbraw/zinc/04/30/47/1435043047.db2.gz ZXVZLDPHVILQCO-OAHLLOKOSA-N -1 3 391.427 3.500 20 0 GGADHM COc1cccc(-c2nc(C[C@](O)(c3ccc(C)o3)C(F)(F)F)no2)c1[O-] ZINC000274138487 1435046368 /nfs/dbraw/zinc/04/63/68/1435046368.db2.gz CZMGLSIZUMXEIY-INIZCTEOSA-N -1 3 384.310 3.345 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1 ZINC000274318708 1435061280 /nfs/dbraw/zinc/06/12/80/1435061280.db2.gz HZMHWHTVBUQSIZ-ZDUSSCGKSA-N -1 3 381.425 3.050 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc(OC)c1[O-] ZINC000274392425 1435067590 /nfs/dbraw/zinc/06/75/90/1435067590.db2.gz ITKRPIMYMZFIHD-QGZVFWFLSA-N -1 3 377.824 3.277 20 0 GGADHM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@H](c1ccccc1)N(C)C ZINC000274617829 1435081325 /nfs/dbraw/zinc/08/13/25/1435081325.db2.gz YURQZIQMCVZYBM-YVEFUNNKSA-N -1 3 382.489 3.045 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000274820331 1435095502 /nfs/dbraw/zinc/09/55/02/1435095502.db2.gz SGXGRBBCMAWPEV-UHFFFAOYSA-N -1 3 387.871 3.258 20 0 GGADHM Cc1cc2c(N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)nccn2n1 ZINC000274840511 1435096988 /nfs/dbraw/zinc/09/69/88/1435096988.db2.gz VJQBSYKHQQXLOA-UHFFFAOYSA-N -1 3 385.855 3.252 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000274888855 1435101348 /nfs/dbraw/zinc/10/13/48/1435101348.db2.gz JATYLDHQDRIKBU-KRWDZBQOSA-N -1 3 399.875 3.167 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000274888855 1435101351 /nfs/dbraw/zinc/10/13/51/1435101351.db2.gz JATYLDHQDRIKBU-KRWDZBQOSA-N -1 3 399.875 3.167 20 0 GGADHM COc1cc(-c2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)cc(OC)c1[O-] ZINC000274991807 1435108162 /nfs/dbraw/zinc/10/81/62/1435108162.db2.gz FDLPNYBQQPCXNJ-LLVKDONJSA-N -1 3 393.440 3.257 20 0 GGADHM COc1cc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)cc(OC)c1[O-] ZINC000274997076 1435108538 /nfs/dbraw/zinc/10/85/38/1435108538.db2.gz NAGCUSBMOIJRDR-UHFFFAOYSA-N -1 3 395.415 3.249 20 0 GGADHM COc1cccc(OC)c1OCc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000275034712 1435111572 /nfs/dbraw/zinc/11/15/72/1435111572.db2.gz WTLIZKHZWHCTFC-UHFFFAOYSA-N -1 3 388.376 3.056 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000275054045 1435113175 /nfs/dbraw/zinc/11/31/75/1435113175.db2.gz PGPIJDWPCQYRDX-UHFFFAOYSA-N -1 3 388.445 3.410 20 0 GGADHM COc1cc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)cc(OC)c1[O-] ZINC000275197157 1435122114 /nfs/dbraw/zinc/12/21/14/1435122114.db2.gz YLQXFSJIJFZDHT-SFHVURJKSA-N -1 3 397.431 3.033 20 0 GGADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000275497154 1435143547 /nfs/dbraw/zinc/14/35/47/1435143547.db2.gz RRDBEVOOSMHZIG-GOSISDBHSA-N -1 3 393.484 3.280 20 0 GGADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000275497154 1435143548 /nfs/dbraw/zinc/14/35/48/1435143548.db2.gz RRDBEVOOSMHZIG-GOSISDBHSA-N -1 3 393.484 3.280 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)cc1OC ZINC000275605422 1435152093 /nfs/dbraw/zinc/15/20/93/1435152093.db2.gz FKIBIQWYEXHPLO-OCCSQVGLSA-N -1 3 396.509 3.037 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H]3CCCC(C)(C)C3)c2)n1 ZINC000276121482 1435192216 /nfs/dbraw/zinc/19/22/16/1435192216.db2.gz LWTOLEBMSORRRB-KRWDZBQOSA-N -1 3 396.491 3.435 20 0 GGADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000276387086 1435208497 /nfs/dbraw/zinc/20/84/97/1435208497.db2.gz MFJHKVCRBJQVFG-UHFFFAOYSA-N -1 3 379.382 3.355 20 0 GGADHM COC1(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000276760976 1435230561 /nfs/dbraw/zinc/23/05/61/1435230561.db2.gz MHSABDJTPNEGGQ-UHFFFAOYSA-N -1 3 380.872 3.182 20 0 GGADHM COc1ccccc1-c1nc(C2CCN(C(=O)c3c([O-])cccc3O)CC2)no1 ZINC000276776285 1435231679 /nfs/dbraw/zinc/23/16/79/1435231679.db2.gz PRPJHIIRWKFGPL-UHFFFAOYSA-N -1 3 395.415 3.176 20 0 GGADHM CCCCOc1cc(OCCC)ccc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000276881632 1435239835 /nfs/dbraw/zinc/23/98/35/1435239835.db2.gz SKKORMSZHJCAQC-UHFFFAOYSA-N -1 3 385.464 3.348 20 0 GGADHM CCCCc1nc(NC(=O)c2csc([C@H]3CCCO3)n2)c(C(=O)OCC)[n-]1 ZINC000276891351 1435240700 /nfs/dbraw/zinc/24/07/00/1435240700.db2.gz NCEAHWYFKHZSKB-GFCCVEGCSA-N -1 3 392.481 3.489 20 0 GGADHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc(OC)cc2[O-])n1 ZINC000276908242 1435242104 /nfs/dbraw/zinc/24/21/04/1435242104.db2.gz UHALBWCPQITFNZ-AWEZNQCLSA-N -1 3 376.434 3.011 20 0 GGADHM COc1cc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000276938005 1435244925 /nfs/dbraw/zinc/24/49/25/1435244925.db2.gz AANMVQUVXHZPCV-QGZVFWFLSA-N -1 3 375.421 3.027 20 0 GGADHM COc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c([O-])c1 ZINC000276978626 1435248999 /nfs/dbraw/zinc/24/89/99/1435248999.db2.gz RBCYTLYEVPFXTF-INIZCTEOSA-N -1 3 387.436 3.045 20 0 GGADHM CC1(C)Cc2cccc(CN[C@@H](CC(=O)OCc3ccccc3)C(=O)[O-])c2O1 ZINC000277230027 1435282046 /nfs/dbraw/zinc/28/20/46/1435282046.db2.gz ILDBEIWTQSVEDE-SFHVURJKSA-N -1 3 383.444 3.076 20 0 GGADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000277472293 1435306982 /nfs/dbraw/zinc/30/69/82/1435306982.db2.gz PSPOTCULRWPQFO-UHFFFAOYSA-N -1 3 381.411 3.366 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3oc4c(cccc4C)c3C)CC2)[n-]1 ZINC000277573065 1435313708 /nfs/dbraw/zinc/31/37/08/1435313708.db2.gz BOLANAYPAUEABN-UHFFFAOYSA-N -1 3 396.447 3.364 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3oc4c(cccc4C)c3C)CC2)n[n-]1 ZINC000277573065 1435313709 /nfs/dbraw/zinc/31/37/09/1435313709.db2.gz BOLANAYPAUEABN-UHFFFAOYSA-N -1 3 396.447 3.364 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)[n-]1 ZINC000277592536 1435315061 /nfs/dbraw/zinc/31/50/61/1435315061.db2.gz DLHGSOVKBCKXKV-ZDUSSCGKSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)n[n-]1 ZINC000277592536 1435315062 /nfs/dbraw/zinc/31/50/62/1435315062.db2.gz DLHGSOVKBCKXKV-ZDUSSCGKSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](CC)c3ccccc3)CC2)[n-]1 ZINC000277636549 1435318130 /nfs/dbraw/zinc/31/81/30/1435318130.db2.gz HFLLYWDQTMZNGM-OAHLLOKOSA-N -1 3 384.480 3.271 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](CC)c3ccccc3)CC2)n[n-]1 ZINC000277636549 1435318132 /nfs/dbraw/zinc/31/81/32/1435318132.db2.gz HFLLYWDQTMZNGM-OAHLLOKOSA-N -1 3 384.480 3.271 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C=Cc3ccc(Cl)s3)CC2)[n-]1 ZINC000277666149 1435320511 /nfs/dbraw/zinc/32/05/11/1435320511.db2.gz JKBWZGWNYJVFTR-GQCTYLIASA-N -1 3 394.884 3.116 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C=Cc3ccc(Cl)s3)CC2)n[n-]1 ZINC000277666149 1435320512 /nfs/dbraw/zinc/32/05/12/1435320512.db2.gz JKBWZGWNYJVFTR-GQCTYLIASA-N -1 3 394.884 3.116 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccccc3SC)CC2)[n-]1 ZINC000277687449 1435321964 /nfs/dbraw/zinc/32/19/64/1435321964.db2.gz BQYBTPPUHCPZFN-UHFFFAOYSA-N -1 3 389.481 3.115 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccccc3SC)CC2)n[n-]1 ZINC000277687449 1435321965 /nfs/dbraw/zinc/32/19/65/1435321965.db2.gz BQYBTPPUHCPZFN-UHFFFAOYSA-N -1 3 389.481 3.115 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[n-]1 ZINC000277735087 1435325609 /nfs/dbraw/zinc/32/56/09/1435325609.db2.gz OJAYHOMNOFPLND-UHFFFAOYSA-N -1 3 384.480 3.299 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n[n-]1 ZINC000277735087 1435325611 /nfs/dbraw/zinc/32/56/11/1435325611.db2.gz OJAYHOMNOFPLND-UHFFFAOYSA-N -1 3 384.480 3.299 20 0 GGADHM COc1cc(-c2nc(CC(=O)Nc3ccc(C)cc3C)no2)cc(OC)c1[O-] ZINC000277752965 1435327224 /nfs/dbraw/zinc/32/72/24/1435327224.db2.gz CQOJJOYYZFFNCP-UHFFFAOYSA-N -1 3 383.404 3.257 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc4cccc(C)c4o3)CC2)[n-]1 ZINC000277773478 1435329115 /nfs/dbraw/zinc/32/91/15/1435329115.db2.gz RIGIGGZRPWSYPI-UHFFFAOYSA-N -1 3 382.420 3.056 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc4cccc(C)c4o3)CC2)n[n-]1 ZINC000277773478 1435329116 /nfs/dbraw/zinc/32/91/16/1435329116.db2.gz RIGIGGZRPWSYPI-UHFFFAOYSA-N -1 3 382.420 3.056 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)[n-]1 ZINC000277778351 1435329464 /nfs/dbraw/zinc/32/94/64/1435329464.db2.gz LYHODHCHDGEKHN-UHFFFAOYSA-N -1 3 385.468 3.318 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)n[n-]1 ZINC000277778351 1435329466 /nfs/dbraw/zinc/32/94/66/1435329466.db2.gz LYHODHCHDGEKHN-UHFFFAOYSA-N -1 3 385.468 3.318 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](C)CCCc3ccccc3)CC2)[n-]1 ZINC000277785334 1435330092 /nfs/dbraw/zinc/33/00/92/1435330092.db2.gz SDEVHQNKHVRQJH-MRXNPFEDSA-N -1 3 398.507 3.346 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C)CCCc3ccccc3)CC2)n[n-]1 ZINC000277785334 1435330096 /nfs/dbraw/zinc/33/00/96/1435330096.db2.gz SDEVHQNKHVRQJH-MRXNPFEDSA-N -1 3 398.507 3.346 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)[n-]1 ZINC000277790181 1435330691 /nfs/dbraw/zinc/33/06/91/1435330691.db2.gz HFDUMPUKOKJNIN-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)n[n-]1 ZINC000277790181 1435330694 /nfs/dbraw/zinc/33/06/94/1435330694.db2.gz HFDUMPUKOKJNIN-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM O=C(NC1CCCCC1)NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000277799070 1435331585 /nfs/dbraw/zinc/33/15/85/1435331585.db2.gz VOBWQRPVVJXBSD-UHFFFAOYSA-N -1 3 379.888 3.282 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3ccc(C(C)C)cc3)CC2)[n-]1 ZINC000277825043 1435334024 /nfs/dbraw/zinc/33/40/24/1435334024.db2.gz YTDSUJKWOWAUSK-UHFFFAOYSA-N -1 3 399.495 3.194 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3ccc(C(C)C)cc3)CC2)n[n-]1 ZINC000277825043 1435334025 /nfs/dbraw/zinc/33/40/25/1435334025.db2.gz YTDSUJKWOWAUSK-UHFFFAOYSA-N -1 3 399.495 3.194 20 0 GGADHM CCCCc1nc(NC(=O)c2ccc(NC(C)=O)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000277850291 1435336026 /nfs/dbraw/zinc/33/60/26/1435336026.db2.gz QTKADSBHOZTDNM-UHFFFAOYSA-N -1 3 390.415 3.279 20 0 GGADHM CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000277876511 1435338320 /nfs/dbraw/zinc/33/83/20/1435338320.db2.gz YYGDUGCAQWZECA-SFHVURJKSA-N -1 3 387.501 3.022 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)[n-]1 ZINC000277888061 1435339587 /nfs/dbraw/zinc/33/95/87/1435339587.db2.gz ZSDLCOADIWOWSI-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)n[n-]1 ZINC000277888061 1435339591 /nfs/dbraw/zinc/33/95/91/1435339591.db2.gz ZSDLCOADIWOWSI-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000277895719 1435340279 /nfs/dbraw/zinc/34/02/79/1435340279.db2.gz FXXPSFSJRPMVSZ-MEBBXXQBSA-N -1 3 382.386 3.188 20 0 GGADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000278165489 1435365455 /nfs/dbraw/zinc/36/54/55/1435365455.db2.gz AXIZAUFGCWAZFW-UHFFFAOYSA-N -1 3 377.466 3.254 20 0 GGADHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1OCC(F)(F)F ZINC000278324925 1435380045 /nfs/dbraw/zinc/38/00/45/1435380045.db2.gz XVHKPPLRMZHPOT-MRVPVSSYSA-N -1 3 386.248 3.014 20 0 GGADHM Cc1nc(Cn2cc(C(=O)[N-]c3cccc(Cl)c3SC(C)C)nn2)no1 ZINC000278344516 1435382017 /nfs/dbraw/zinc/38/20/17/1435382017.db2.gz MKDRIPFCEBHBBX-UHFFFAOYSA-N -1 3 392.872 3.424 20 0 GGADHM CCc1cc(=O)[n-]c(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)n1 ZINC000278413187 1435388890 /nfs/dbraw/zinc/38/88/90/1435388890.db2.gz SBQPAWXCDMQQRL-UHFFFAOYSA-N -1 3 397.397 3.439 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)[n-]1 ZINC000278546028 1435399110 /nfs/dbraw/zinc/39/91/10/1435399110.db2.gz AOLXERTUBJJEDX-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n[n-]1 ZINC000278546028 1435399113 /nfs/dbraw/zinc/39/91/13/1435399113.db2.gz AOLXERTUBJJEDX-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000278632048 1435407953 /nfs/dbraw/zinc/40/79/53/1435407953.db2.gz PXKYMFXEZBJBFS-UHFFFAOYSA-N -1 3 384.398 3.045 20 0 GGADHM Cc1cnccc1OC1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000278680280 1435413426 /nfs/dbraw/zinc/41/34/26/1435413426.db2.gz OGYYVDXMCYXTQS-UHFFFAOYSA-N -1 3 384.480 3.175 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C ZINC000278770571 1435422019 /nfs/dbraw/zinc/42/20/19/1435422019.db2.gz SPQDUDYLJPHXHP-GFCCVEGCSA-N -1 3 389.477 3.261 20 0 GGADHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000278941667 1435442836 /nfs/dbraw/zinc/44/28/36/1435442836.db2.gz NOKAFGFVQFHINP-QGZVFWFLSA-N -1 3 377.872 3.231 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000279028232 1435453647 /nfs/dbraw/zinc/45/36/47/1435453647.db2.gz BANUQVKBUKASER-RBUKOAKNSA-N -1 3 392.434 3.297 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279230734 1435474571 /nfs/dbraw/zinc/47/45/71/1435474571.db2.gz RIIDMOKZWNKSKX-HUUCEWRRSA-N -1 3 390.892 3.195 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000279349138 1435489598 /nfs/dbraw/zinc/48/95/98/1435489598.db2.gz TURCWWALJYTDTQ-CYBMUJFWSA-N -1 3 388.443 3.006 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCN(CC(F)(F)F)C3)c2)n1 ZINC000279391136 1435494249 /nfs/dbraw/zinc/49/42/49/1435494249.db2.gz UHIWOTXRINBBQL-CYBMUJFWSA-N -1 3 394.397 3.234 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279558560 1435513038 /nfs/dbraw/zinc/51/30/38/1435513038.db2.gz PXLGAAUDYNHGDZ-UHFFFAOYSA-N -1 3 397.523 3.341 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1NC(=O)N(C)C ZINC000279819768 1435547166 /nfs/dbraw/zinc/54/71/66/1435547166.db2.gz CILMNFUKRXNHJX-ZDUSSCGKSA-N -1 3 389.477 3.213 20 0 GGADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000279823305 1435547451 /nfs/dbraw/zinc/54/74/51/1435547451.db2.gz DRACTRZZSHKGEM-GFCCVEGCSA-N -1 3 396.369 3.246 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cccc1NC(=O)N(C)C ZINC000279882600 1435557346 /nfs/dbraw/zinc/55/73/46/1435557346.db2.gz HLFWIRTXIRNZDU-UHFFFAOYSA-N -1 3 389.477 3.214 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)c(C)c1 ZINC000280022072 1435577885 /nfs/dbraw/zinc/57/78/85/1435577885.db2.gz UZCNTWIDVQROFL-UHFFFAOYSA-N -1 3 377.466 3.206 20 0 GGADHM CSC1(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000280049868 1435583385 /nfs/dbraw/zinc/58/33/85/1435583385.db2.gz OVWGAIUCEWDROU-UHFFFAOYSA-N -1 3 397.928 3.301 20 0 GGADHM Cc1nc2ccccc2n1C1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000280185297 1435604997 /nfs/dbraw/zinc/60/49/97/1435604997.db2.gz CQCPPUNGSIYVFP-UHFFFAOYSA-N -1 3 393.491 3.253 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000280257556 1435620149 /nfs/dbraw/zinc/62/01/49/1435620149.db2.gz ODUDIYYNYLTYKB-UHFFFAOYSA-N -1 3 388.399 3.136 20 0 GGADHM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000280457227 1435663848 /nfs/dbraw/zinc/66/38/48/1435663848.db2.gz GVDDHYNHELCACR-ZJUUUORDSA-N -1 3 392.399 3.021 20 0 GGADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C ZINC000280564433 1435680622 /nfs/dbraw/zinc/68/06/22/1435680622.db2.gz KVZYKEVVLKOZGD-NSHDSACASA-N -1 3 376.434 3.298 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC000280677475 1435702321 /nfs/dbraw/zinc/70/23/21/1435702321.db2.gz VFWGWFXNLDLZRU-IBGZPJMESA-N -1 3 396.443 3.089 20 0 GGADHM C[C@H]1CN(Cc2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2)C[C@H](C)O1 ZINC000280750733 1435714246 /nfs/dbraw/zinc/71/42/46/1435714246.db2.gz KMFOYCOECZSWRS-KBPBESRZSA-N -1 3 390.430 3.210 20 0 GGADHM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000280834767 1435728402 /nfs/dbraw/zinc/72/84/02/1435728402.db2.gz UDBWSIAGBYBLCO-LBPRGKRZSA-N -1 3 393.409 3.052 20 0 GGADHM Cc1ccccc1C[C@@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000280873221 1435734121 /nfs/dbraw/zinc/73/41/21/1435734121.db2.gz BSZVAJBMLKHJTI-CQSZACIVSA-N -1 3 385.430 3.026 20 0 GGADHM CC[C@@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281012704 1435756019 /nfs/dbraw/zinc/75/60/19/1435756019.db2.gz MWUGGRKXUHBJNP-HNNXBMFYSA-N -1 3 385.430 3.280 20 0 GGADHM CC1([C@@H]2CCCN(Cc3cc(=O)oc4cc([O-])c(Cl)cc34)C2)OCCO1 ZINC000281067663 1435766966 /nfs/dbraw/zinc/76/69/66/1435766966.db2.gz SPECXMWBOBOVCT-CYBMUJFWSA-N -1 3 379.840 3.127 20 0 GGADHM O=C([N-]CC1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1)C(F)(F)F ZINC000281116191 1435777198 /nfs/dbraw/zinc/77/71/98/1435777198.db2.gz XPROUHGOCYBINM-MRXNPFEDSA-N -1 3 383.414 3.238 20 0 GGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000281191578 1435793277 /nfs/dbraw/zinc/79/32/77/1435793277.db2.gz MPQIPRULYMLANQ-UHFFFAOYSA-N -1 3 384.436 3.036 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1cccnc1)c1cc(C(F)(F)F)ccc1F ZINC000281192199 1435793344 /nfs/dbraw/zinc/79/33/44/1435793344.db2.gz OPJIHOXNVDEJJQ-DZGCQCFKSA-N -1 3 390.358 3.048 20 0 GGADHM O=C([N-]CC1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1)C(F)(F)F ZINC000281259707 1435801176 /nfs/dbraw/zinc/80/11/76/1435801176.db2.gz AILSJJDYHZMKCH-UHFFFAOYSA-N -1 3 396.369 3.264 20 0 GGADHM Cc1cc(C(=O)CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)n1C1CC1 ZINC000281308600 1435803240 /nfs/dbraw/zinc/80/32/40/1435803240.db2.gz KLILDNBHSUOTDF-UHFFFAOYSA-N -1 3 385.430 3.013 20 0 GGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281329233 1435804156 /nfs/dbraw/zinc/80/41/56/1435804156.db2.gz VSEKZDRAFOUOHE-INIZCTEOSA-N -1 3 383.414 3.082 20 0 GGADHM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSCC(C)(C)C)nc(=O)c12 ZINC000281373510 1435806197 /nfs/dbraw/zinc/80/61/97/1435806197.db2.gz BJQBQQRIAINJJI-UHFFFAOYSA-N -1 3 398.506 3.178 20 0 GGADHM COc1ccc(-c2nc(CN3CCC(C[N-]C(=O)C(F)(F)F)CC3)co2)cc1 ZINC000281384298 1435806502 /nfs/dbraw/zinc/80/65/02/1435806502.db2.gz PJVLYBSEKJGZKF-UHFFFAOYSA-N -1 3 397.397 3.241 20 0 GGADHM COC(=O)c1sc2[n-]c(CSCCC(=O)OC(C)(C)C)nc(=O)c2c1C ZINC000281394111 1435806967 /nfs/dbraw/zinc/80/69/67/1435806967.db2.gz DRQRGVSUGMHFHC-UHFFFAOYSA-N -1 3 398.506 3.457 20 0 GGADHM Cc1cccc(NC(=O)[C@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000281401403 1435807412 /nfs/dbraw/zinc/80/74/12/1435807412.db2.gz QMDXYLYIBYTIOK-AWEZNQCLSA-N -1 3 385.430 3.021 20 0 GGADHM Cc1ccc(NC(=O)[C@@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000281412287 1435807876 /nfs/dbraw/zinc/80/78/76/1435807876.db2.gz RFTJZWQJBZSAAL-CQSZACIVSA-N -1 3 385.430 3.021 20 0 GGADHM Cc1sc(NC(=O)CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1C ZINC000281437125 1435808878 /nfs/dbraw/zinc/80/88/78/1435808878.db2.gz SWCZSXPTKQARMF-UHFFFAOYSA-N -1 3 391.459 3.002 20 0 GGADHM O=C([N-]CC1CCN(Cc2ncc(-c3ccccc3F)o2)CC1)C(F)(F)F ZINC000281486829 1435810798 /nfs/dbraw/zinc/81/07/98/1435810798.db2.gz XBFKYRIFBBJTKH-UHFFFAOYSA-N -1 3 385.361 3.371 20 0 GGADHM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281576911 1435814190 /nfs/dbraw/zinc/81/41/90/1435814190.db2.gz BDEJBEWTEHJZFE-INIZCTEOSA-N -1 3 386.414 3.070 20 0 GGADHM O=C(CCSc1ccc(F)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281591786 1435814850 /nfs/dbraw/zinc/81/48/50/1435814850.db2.gz CMTLDALDIFTPIS-UHFFFAOYSA-N -1 3 392.418 3.225 20 0 GGADHM C[C@@H](SCc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281601458 1435815311 /nfs/dbraw/zinc/81/53/11/1435815311.db2.gz DEMIQRZPIZRYFT-CYBMUJFWSA-N -1 3 388.455 3.225 20 0 GGADHM CC(C)Oc1ccc(/C=C/C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281605937 1435815456 /nfs/dbraw/zinc/81/54/56/1435815456.db2.gz DSWQOKCSLPFITN-VMPITWQZSA-N -1 3 398.425 3.404 20 0 GGADHM CCn1cc(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc21 ZINC000281619149 1435815859 /nfs/dbraw/zinc/81/58/59/1435815859.db2.gz FQQAUGGEJKFBAN-UHFFFAOYSA-N -1 3 395.425 3.121 20 0 GGADHM O=C([N-]CC1CCN(C(=O)c2sccc2-n2cccc2)CC1)C(F)(F)F ZINC000281647932 1435816986 /nfs/dbraw/zinc/81/69/86/1435816986.db2.gz HXJNFRSLSMFYQO-UHFFFAOYSA-N -1 3 385.411 3.070 20 0 GGADHM CCn1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc21 ZINC000281660193 1435817503 /nfs/dbraw/zinc/81/75/03/1435817503.db2.gz IWNIHFKEIXIVRZ-UHFFFAOYSA-N -1 3 381.398 3.192 20 0 GGADHM C[C@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)Cc1cccc(F)c1 ZINC000281672805 1435818054 /nfs/dbraw/zinc/81/80/54/1435818054.db2.gz JXDNWOKOXQBIEW-ZDUSSCGKSA-N -1 3 388.405 3.312 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281680284 1435818266 /nfs/dbraw/zinc/81/82/66/1435818266.db2.gz KNVALAWVZILUIQ-UHFFFAOYSA-N -1 3 396.331 3.165 20 0 GGADHM COc1ccc([C@H](C)CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281782009 1435821757 /nfs/dbraw/zinc/82/17/57/1435821757.db2.gz RSNCCCYEEKOLDT-CYBMUJFWSA-N -1 3 386.414 3.106 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](OC)Cc4ccccc43)nc(=O)c2c1C ZINC000281930934 1435827347 /nfs/dbraw/zinc/82/73/47/1435827347.db2.gz AXZKBQINJQOCSJ-ZDUSSCGKSA-N -1 3 399.472 3.070 20 0 GGADHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(F)cc2n[n-]nc21 ZINC000281969427 1435828973 /nfs/dbraw/zinc/82/89/73/1435828973.db2.gz GUNHFBCXQBQPTE-UHFFFAOYSA-N -1 3 391.410 3.334 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000281971049 1435829017 /nfs/dbraw/zinc/82/90/17/1435829017.db2.gz VAXJBXMKBKKOPZ-LLVKDONJSA-N -1 3 391.459 3.088 20 0 GGADHM CC1CCN(C(=O)c2ccccc2NC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000282233201 1435839371 /nfs/dbraw/zinc/83/93/71/1435839371.db2.gz ZMWKHKUJMCBZII-UHFFFAOYSA-N -1 3 381.411 3.221 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@H]1c1ccccc1 ZINC000282356403 1435844327 /nfs/dbraw/zinc/84/43/27/1435844327.db2.gz YMROEJBXUHAHBU-JKSUJKDBSA-N -1 3 398.459 3.231 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000282634720 1435854486 /nfs/dbraw/zinc/85/44/86/1435854486.db2.gz YXQYESSOTAEZMS-ZUOKHONESA-N -1 3 398.438 3.152 20 0 GGADHM COc1cc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc(OC)c1[O-] ZINC000282804144 1435861018 /nfs/dbraw/zinc/86/10/18/1435861018.db2.gz OJIYTWIXNYFKLG-UHFFFAOYSA-N -1 3 382.460 3.077 20 0 GGADHM COc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)cc1[N-]S(C)(=O)=O ZINC000282842442 1435862598 /nfs/dbraw/zinc/86/25/98/1435862598.db2.gz RTXQGKWGAHPZJF-UHFFFAOYSA-N -1 3 398.868 3.103 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(F)cc2n[n-]nc21 ZINC000282899583 1435865274 /nfs/dbraw/zinc/86/52/74/1435865274.db2.gz ZYUJKCFLKFTJAM-JTQLQIEISA-N -1 3 390.802 3.418 20 0 GGADHM CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cncc([O-])c2)cc1 ZINC000283283911 1435882766 /nfs/dbraw/zinc/88/27/66/1435882766.db2.gz BULDVWCJCMNOSI-UHFFFAOYSA-N -1 3 380.448 3.115 20 0 GGADHM COc1ccc(CN(CC2CC2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c(OC)c1 ZINC000283286895 1435882907 /nfs/dbraw/zinc/88/29/07/1435882907.db2.gz MLZSVVDHJFSXLL-UHFFFAOYSA-N -1 3 399.491 3.188 20 0 GGADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000284691547 1436040578 /nfs/dbraw/zinc/04/05/78/1436040578.db2.gz CMXQWWQMUQFXJR-CYBMUJFWSA-N -1 3 379.382 3.355 20 0 GGADHM Clc1ccc(C2=CCN(CCOc3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000826351349 1441424221 /nfs/dbraw/zinc/42/42/21/1441424221.db2.gz JBXBZDJQFRPHEO-UHFFFAOYSA-N -1 3 382.855 3.083 20 0 GGADHM Clc1ccc(C2=CCN(CCOc3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000826351349 1441424224 /nfs/dbraw/zinc/42/42/24/1441424224.db2.gz JBXBZDJQFRPHEO-UHFFFAOYSA-N -1 3 382.855 3.083 20 0 GGADHM Cc1c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)sc2nc(C)nc(C)c12 ZINC000826324236 1441460305 /nfs/dbraw/zinc/46/03/05/1441460305.db2.gz JHYMZTCTFISCPM-UHFFFAOYSA-N -1 3 379.493 3.429 20 0 GGADHM Cc1c(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)sc2nc(C)nc(C)c12 ZINC000826324236 1441460308 /nfs/dbraw/zinc/46/03/08/1441460308.db2.gz JHYMZTCTFISCPM-UHFFFAOYSA-N -1 3 379.493 3.429 20 0 GGADHM Cc1c(Cl)cnc(NC2CCN([C@H](C)c3ccncc3)CC2)c1-c1nn[n-]n1 ZINC000826239115 1441463004 /nfs/dbraw/zinc/46/30/04/1441463004.db2.gz YCYAOAQWVPLCDK-CYBMUJFWSA-N -1 3 398.902 3.256 20 0 GGADHM Cc1c(Cl)cnc(NC2CCN([C@H](C)c3ccncc3)CC2)c1-c1nnn[n-]1 ZINC000826239115 1441463008 /nfs/dbraw/zinc/46/30/08/1441463008.db2.gz YCYAOAQWVPLCDK-CYBMUJFWSA-N -1 3 398.902 3.256 20 0 GGADHM Cc1cccc(C(=O)N2CCCN([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737382574 1441473661 /nfs/dbraw/zinc/47/36/61/1441473661.db2.gz YMQVZTIUELKNIN-QGZVFWFLSA-N -1 3 390.491 3.084 20 0 GGADHM Cc1cccc(C(=O)N2CCCN([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737382574 1441473664 /nfs/dbraw/zinc/47/36/64/1441473664.db2.gz YMQVZTIUELKNIN-QGZVFWFLSA-N -1 3 390.491 3.084 20 0 GGADHM C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824626185 1441522498 /nfs/dbraw/zinc/52/24/98/1441522498.db2.gz NKCPAQHYMSLLSX-CQSZACIVSA-N -1 3 381.459 3.242 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000824545397 1441530252 /nfs/dbraw/zinc/53/02/52/1441530252.db2.gz CGUNUVMEROOXJD-ACJLOTCBSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000824545397 1441530255 /nfs/dbraw/zinc/53/02/55/1441530255.db2.gz CGUNUVMEROOXJD-ACJLOTCBSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736276587 1441560635 /nfs/dbraw/zinc/56/06/35/1441560635.db2.gz ZVWBVCMYWPIOAV-UZLBHIALSA-N -1 3 385.512 3.305 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736276587 1441560639 /nfs/dbraw/zinc/56/06/39/1441560639.db2.gz ZVWBVCMYWPIOAV-UZLBHIALSA-N -1 3 385.512 3.305 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000826182663 1441578230 /nfs/dbraw/zinc/57/82/30/1441578230.db2.gz QLJZKPKXIGMZLT-UHFFFAOYSA-N -1 3 378.480 3.260 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000826182663 1441578234 /nfs/dbraw/zinc/57/82/34/1441578234.db2.gz QLJZKPKXIGMZLT-UHFFFAOYSA-N -1 3 378.480 3.260 20 0 GGADHM CC[C@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000825038700 1441586087 /nfs/dbraw/zinc/58/60/87/1441586087.db2.gz GKLVNGGOCRDPCC-AUUYWEPGSA-N -1 3 378.480 3.051 20 0 GGADHM CC[C@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000825038700 1441586091 /nfs/dbraw/zinc/58/60/91/1441586091.db2.gz GKLVNGGOCRDPCC-AUUYWEPGSA-N -1 3 378.480 3.051 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3)[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000822541584 1441608994 /nfs/dbraw/zinc/60/89/94/1441608994.db2.gz OJCHMUXXIMXNHW-JKIFEVAISA-N -1 3 394.479 3.282 20 0 GGADHM CN(CC1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1)C(=O)OC(C)(C)C ZINC000825909032 1441641821 /nfs/dbraw/zinc/64/18/21/1441641821.db2.gz QCGHEMBESKGJIS-UHFFFAOYSA-N -1 3 392.529 3.007 20 0 GGADHM CN(CC1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1)C(=O)OC(C)(C)C ZINC000825909032 1441641825 /nfs/dbraw/zinc/64/18/25/1441641825.db2.gz QCGHEMBESKGJIS-UHFFFAOYSA-N -1 3 392.529 3.007 20 0 GGADHM CN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@@H]1CCCO1 ZINC000825981747 1441665576 /nfs/dbraw/zinc/66/55/76/1441665576.db2.gz XLQJBCAFZSZQCX-IBGZPJMESA-N -1 3 379.464 3.057 20 0 GGADHM CN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCCO1 ZINC000825981747 1441665582 /nfs/dbraw/zinc/66/55/82/1441665582.db2.gz XLQJBCAFZSZQCX-IBGZPJMESA-N -1 3 379.464 3.057 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2cccc(C)c2C)c(-c2nn[n-]n2)c1C ZINC000826295981 1441692558 /nfs/dbraw/zinc/69/25/58/1441692558.db2.gz FWQYLJJXDOSZTR-CYBMUJFWSA-N -1 3 384.509 3.451 20 0 GGADHM COc1ccc(C)cc1CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737074998 1441696945 /nfs/dbraw/zinc/69/69/45/1441696945.db2.gz AZBXJVXNTVPFBF-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM COc1ccc(C)cc1CN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737074998 1441696948 /nfs/dbraw/zinc/69/69/48/1441696948.db2.gz AZBXJVXNTVPFBF-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000824473202 1441699137 /nfs/dbraw/zinc/69/91/37/1441699137.db2.gz YQHRPOYUNSIZQU-QRWLVFNGSA-N -1 3 392.507 3.297 20 0 GGADHM CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000824473202 1441699139 /nfs/dbraw/zinc/69/91/39/1441699139.db2.gz YQHRPOYUNSIZQU-QRWLVFNGSA-N -1 3 392.507 3.297 20 0 GGADHM CCSc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674820 1441809834 /nfs/dbraw/zinc/80/98/34/1441809834.db2.gz SHRNMULTMQKNRV-CYBMUJFWSA-N -1 3 382.493 3.268 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820642751 1441817324 /nfs/dbraw/zinc/81/73/24/1441817324.db2.gz LGEUDJMSFXAIDJ-RDTXWAMCSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820642751 1441817327 /nfs/dbraw/zinc/81/73/27/1441817327.db2.gz LGEUDJMSFXAIDJ-RDTXWAMCSA-N -1 3 387.447 3.295 20 0 GGADHM Fc1cccc(CN(CCC2OCCCO2)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822787019 1441850171 /nfs/dbraw/zinc/85/01/71/1441850171.db2.gz SITTTXDHFZVNLA-UHFFFAOYSA-N -1 3 397.454 3.161 20 0 GGADHM Fc1cccc(CN(CCC2OCCCO2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822787019 1441850173 /nfs/dbraw/zinc/85/01/73/1441850173.db2.gz SITTTXDHFZVNLA-UHFFFAOYSA-N -1 3 397.454 3.161 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824270372 1441868514 /nfs/dbraw/zinc/86/85/14/1441868514.db2.gz DGGTYIFLKKUVTJ-OAHLLOKOSA-N -1 3 394.479 3.191 20 0 GGADHM COc1cc(CN(C)Cc2ccc(F)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000737044655 1441876980 /nfs/dbraw/zinc/87/69/80/1441876980.db2.gz BQYWFPJDWCLMNX-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM COc1cc(CN(C)Cc2ccc(F)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000737044655 1441876983 /nfs/dbraw/zinc/87/69/83/1441876983.db2.gz BQYWFPJDWCLMNX-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM CCN1CC[C@H](NCc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825454222 1441883875 /nfs/dbraw/zinc/88/38/75/1441883875.db2.gz ZRYUEWNRASVQMG-RDJZCZTQSA-N -1 3 390.850 3.177 20 0 GGADHM CCN1CC[C@H](NCc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825454222 1441883882 /nfs/dbraw/zinc/88/38/82/1441883882.db2.gz ZRYUEWNRASVQMG-RDJZCZTQSA-N -1 3 390.850 3.177 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)C[C@@H](C)c2nccs2)c1-c1nnn[n-]1 ZINC000826332372 1442037435 /nfs/dbraw/zinc/03/74/35/1442037435.db2.gz RVXCMYSRJPSYPC-CYBMUJFWSA-N -1 3 394.508 3.053 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)C[C@@H](C)c2nccs2)c1-c1nn[n-]n1 ZINC000826332372 1442037436 /nfs/dbraw/zinc/03/74/36/1442037436.db2.gz RVXCMYSRJPSYPC-CYBMUJFWSA-N -1 3 394.508 3.053 20 0 GGADHM CCc1ccc(C2=CCN(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825704286 1442040938 /nfs/dbraw/zinc/04/09/38/1442040938.db2.gz GAIHEKDAONNOKA-OAQYLSRUSA-N -1 3 375.476 3.252 20 0 GGADHM Cc1ccc(OCCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737365586 1442050251 /nfs/dbraw/zinc/05/02/51/1442050251.db2.gz KSJZEAJMPSYUQD-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM Cc1ccc(OCCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737365586 1442050255 /nfs/dbraw/zinc/05/02/55/1442050255.db2.gz KSJZEAJMPSYUQD-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM O=C(C[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826404935 1442056070 /nfs/dbraw/zinc/05/60/70/1442056070.db2.gz QJPDFWPRWMZGIX-QGZVFWFLSA-N -1 3 383.402 3.382 20 0 GGADHM O=C(C[C@H]1CCCN1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826404935 1442056073 /nfs/dbraw/zinc/05/60/73/1442056073.db2.gz QJPDFWPRWMZGIX-QGZVFWFLSA-N -1 3 383.402 3.382 20 0 GGADHM Clc1ccc2cccnc2c1CNCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826353028 1442138495 /nfs/dbraw/zinc/13/84/95/1442138495.db2.gz YHFXYQZSMOQMMP-UHFFFAOYSA-N -1 3 380.839 3.237 20 0 GGADHM Clc1ccc2cccnc2c1CNCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000826353028 1442138500 /nfs/dbraw/zinc/13/85/00/1442138500.db2.gz YHFXYQZSMOQMMP-UHFFFAOYSA-N -1 3 380.839 3.237 20 0 GGADHM COc1cc([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821708353 1442216532 /nfs/dbraw/zinc/21/65/32/1442216532.db2.gz NUPZVRBIXUKPIB-CHWSQXEVSA-N -1 3 383.452 3.304 20 0 GGADHM COc1cc([C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821708353 1442216538 /nfs/dbraw/zinc/21/65/38/1442216538.db2.gz NUPZVRBIXUKPIB-CHWSQXEVSA-N -1 3 383.452 3.304 20 0 GGADHM O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737890637 1442223081 /nfs/dbraw/zinc/22/30/81/1442223081.db2.gz BPZSQRSRANRHJZ-IBGZPJMESA-N -1 3 380.427 3.075 20 0 GGADHM O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737890637 1442223084 /nfs/dbraw/zinc/22/30/84/1442223084.db2.gz BPZSQRSRANRHJZ-IBGZPJMESA-N -1 3 380.427 3.075 20 0 GGADHM C[C@H](NCCOc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824599051 1442262332 /nfs/dbraw/zinc/26/23/32/1442262332.db2.gz LLKFAOKTVNUTFX-JTQLQIEISA-N -1 3 396.348 3.149 20 0 GGADHM C[C@H](NCCOc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824599051 1442262335 /nfs/dbraw/zinc/26/23/35/1442262335.db2.gz LLKFAOKTVNUTFX-JTQLQIEISA-N -1 3 396.348 3.149 20 0 GGADHM O=C(CN[C@H](c1ccccc1)C1CCCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737891227 1442295844 /nfs/dbraw/zinc/29/58/44/1442295844.db2.gz IXZSPEJYILNJHY-HXUWFJFHSA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CN[C@H](c1ccccc1)C1CCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737891227 1442295847 /nfs/dbraw/zinc/29/58/47/1442295847.db2.gz IXZSPEJYILNJHY-HXUWFJFHSA-N -1 3 376.464 3.326 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000826183899 1442313742 /nfs/dbraw/zinc/31/37/42/1442313742.db2.gz DTSBUSAAQJHERB-FQEVSTJZSA-N -1 3 395.463 3.133 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000826183899 1442313746 /nfs/dbraw/zinc/31/37/46/1442313746.db2.gz DTSBUSAAQJHERB-FQEVSTJZSA-N -1 3 395.463 3.133 20 0 GGADHM C[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824555086 1442325615 /nfs/dbraw/zinc/32/56/15/1442325615.db2.gz UQPAJWXSBMNBHF-STQMWFEESA-N -1 3 384.871 3.048 20 0 GGADHM C[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824555086 1442325622 /nfs/dbraw/zinc/32/56/22/1442325622.db2.gz UQPAJWXSBMNBHF-STQMWFEESA-N -1 3 384.871 3.048 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000825140598 1442327479 /nfs/dbraw/zinc/32/74/79/1442327479.db2.gz KXWVQXRGYQPQOA-QGZVFWFLSA-N -1 3 386.406 3.214 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000825140598 1442327482 /nfs/dbraw/zinc/32/74/82/1442327482.db2.gz KXWVQXRGYQPQOA-QGZVFWFLSA-N -1 3 386.406 3.214 20 0 GGADHM COc1ccc(CNCc2cc(C)c(C)cc2OC(F)F)cc1-c1nnn[n-]1 ZINC000826202957 1442347410 /nfs/dbraw/zinc/34/74/10/1442347410.db2.gz UFZUHRSHXCIRBL-UHFFFAOYSA-N -1 3 389.406 3.383 20 0 GGADHM COc1ccc(CNCc2cc(C)c(C)cc2OC(F)F)cc1-c1nn[n-]n1 ZINC000826202957 1442347415 /nfs/dbraw/zinc/34/74/15/1442347415.db2.gz UFZUHRSHXCIRBL-UHFFFAOYSA-N -1 3 389.406 3.383 20 0 GGADHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826433325 1442428872 /nfs/dbraw/zinc/42/88/72/1442428872.db2.gz BPHMVDVEDZIYMM-GOSISDBHSA-N -1 3 396.882 3.087 20 0 GGADHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826433325 1442428876 /nfs/dbraw/zinc/42/88/76/1442428876.db2.gz BPHMVDVEDZIYMM-GOSISDBHSA-N -1 3 396.882 3.087 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000825958448 1442445594 /nfs/dbraw/zinc/44/55/94/1442445594.db2.gz XBHSDPHLDQUHNI-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000825958448 1442445595 /nfs/dbraw/zinc/44/55/95/1442445595.db2.gz XBHSDPHLDQUHNI-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1F ZINC000826282779 1442464898 /nfs/dbraw/zinc/46/48/98/1442464898.db2.gz CDXUAKMBJVLUKF-KUHUBIRLSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1F ZINC000826282779 1442464901 /nfs/dbraw/zinc/46/49/01/1442464901.db2.gz CDXUAKMBJVLUKF-KUHUBIRLSA-N -1 3 394.454 3.160 20 0 GGADHM CC(C)C[C@H](NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820056450 1442466757 /nfs/dbraw/zinc/46/67/57/1442466757.db2.gz PIGOKHDHBJJWTB-IBGZPJMESA-N -1 3 399.520 3.017 20 0 GGADHM CC(C)C[C@H](NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820056450 1442466759 /nfs/dbraw/zinc/46/67/59/1442466759.db2.gz PIGOKHDHBJJWTB-IBGZPJMESA-N -1 3 399.520 3.017 20 0 GGADHM CCN(C[C@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736535907 1442467228 /nfs/dbraw/zinc/46/72/28/1442467228.db2.gz YBOOMCUSCVKRCU-KXBFYZLASA-N -1 3 392.463 3.275 20 0 GGADHM Cn1cc(CN2CCC(OC(C)(C)C)CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360505 1442494396 /nfs/dbraw/zinc/49/43/96/1442494396.db2.gz MYUZTKPAUBIKPZ-UHFFFAOYSA-N -1 3 395.511 3.047 20 0 GGADHM CCN(Cc1ccc(-n2cncn2)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434811 1443138070 /nfs/dbraw/zinc/13/80/70/1443138070.db2.gz GEFLQYUHPQYRAQ-AWEZNQCLSA-N -1 3 392.442 3.170 20 0 GGADHM CCN(CC1CC1)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825416860 1443159570 /nfs/dbraw/zinc/15/95/70/1443159570.db2.gz MZQQZBBYTZLTFQ-GFCCVEGCSA-N -1 3 388.541 3.256 20 0 GGADHM CCN(CC1CC1)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825416860 1443159572 /nfs/dbraw/zinc/15/95/72/1443159572.db2.gz MZQQZBBYTZLTFQ-GFCCVEGCSA-N -1 3 388.541 3.256 20 0 GGADHM O=C(CN[C@H](c1ccccc1)C1CCCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737891535 1443171981 /nfs/dbraw/zinc/17/19/81/1443171981.db2.gz NKOFTQKIHFIIPL-QGZVFWFLSA-N -1 3 382.493 3.388 20 0 GGADHM O=C(CN[C@H](c1ccccc1)C1CCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737891535 1443171982 /nfs/dbraw/zinc/17/19/82/1443171982.db2.gz NKOFTQKIHFIIPL-QGZVFWFLSA-N -1 3 382.493 3.388 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCS1 ZINC000824984547 1443200914 /nfs/dbraw/zinc/20/09/14/1443200914.db2.gz LHEAYCRQODIGOJ-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCS1 ZINC000824984547 1443200918 /nfs/dbraw/zinc/20/09/18/1443200918.db2.gz LHEAYCRQODIGOJ-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM CC(C)[C@H](CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)NC(=O)OC(C)(C)C ZINC000824571685 1443225369 /nfs/dbraw/zinc/22/53/69/1443225369.db2.gz QYOKLAVCSPSVOM-LRDDRELGSA-N -1 3 392.479 3.206 20 0 GGADHM CC(C)[C@H](CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824571685 1443225373 /nfs/dbraw/zinc/22/53/73/1443225373.db2.gz QYOKLAVCSPSVOM-LRDDRELGSA-N -1 3 392.479 3.206 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000826168291 1443227959 /nfs/dbraw/zinc/22/79/59/1443227959.db2.gz IXKPIXLXYIRURT-FQEVSTJZSA-N -1 3 393.491 3.099 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000826168291 1443227961 /nfs/dbraw/zinc/22/79/61/1443227961.db2.gz IXKPIXLXYIRURT-FQEVSTJZSA-N -1 3 393.491 3.099 20 0 GGADHM CC[C@@H](C)N(Cc1ccccc1-c1nn[n-]n1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825067442 1443266082 /nfs/dbraw/zinc/26/60/82/1443266082.db2.gz JYFXPGHWTUFBDN-CQSZACIVSA-N -1 3 389.463 3.316 20 0 GGADHM CC[C@@H](C)N(Cc1ccccc1-c1nnn[n-]1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825067442 1443266085 /nfs/dbraw/zinc/26/60/85/1443266085.db2.gz JYFXPGHWTUFBDN-CQSZACIVSA-N -1 3 389.463 3.316 20 0 GGADHM CCC(CC)[C@@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825095587 1443277495 /nfs/dbraw/zinc/27/74/95/1443277495.db2.gz IVSADSAFWZSXEL-OAQYLSRUSA-N -1 3 392.507 3.250 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822345803 1443285093 /nfs/dbraw/zinc/28/50/93/1443285093.db2.gz RZJUCEDKTPMOMK-JYJNAYRXSA-N -1 3 378.480 3.092 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822345803 1443285097 /nfs/dbraw/zinc/28/50/97/1443285097.db2.gz RZJUCEDKTPMOMK-JYJNAYRXSA-N -1 3 378.480 3.092 20 0 GGADHM COc1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826202459 1443301879 /nfs/dbraw/zinc/30/18/79/1443301879.db2.gz AKNKKHQSRDXZJT-UHFFFAOYSA-N -1 3 381.333 3.323 20 0 GGADHM COc1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826202459 1443301883 /nfs/dbraw/zinc/30/18/83/1443301883.db2.gz AKNKKHQSRDXZJT-UHFFFAOYSA-N -1 3 381.333 3.323 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824553829 1443304131 /nfs/dbraw/zinc/30/41/31/1443304131.db2.gz IRTMETLMZDXUIV-KBPBESRZSA-N -1 3 398.898 3.390 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824553829 1443304133 /nfs/dbraw/zinc/30/41/33/1443304133.db2.gz IRTMETLMZDXUIV-KBPBESRZSA-N -1 3 398.898 3.390 20 0 GGADHM CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825069252 1443318858 /nfs/dbraw/zinc/31/88/58/1443318858.db2.gz ZHZQDYBNASVLML-HRCADAONSA-N -1 3 392.507 3.488 20 0 GGADHM CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825069252 1443318861 /nfs/dbraw/zinc/31/88/61/1443318861.db2.gz ZHZQDYBNASVLML-HRCADAONSA-N -1 3 392.507 3.488 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000821702271 1443323781 /nfs/dbraw/zinc/32/37/81/1443323781.db2.gz NWKLBRYAMDVKLF-KSSFIOAISA-N -1 3 397.454 3.476 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000821702271 1443323784 /nfs/dbraw/zinc/32/37/84/1443323784.db2.gz NWKLBRYAMDVKLF-KSSFIOAISA-N -1 3 397.454 3.476 20 0 GGADHM COc1c(Br)cccc1CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826166438 1443350721 /nfs/dbraw/zinc/35/07/21/1443350721.db2.gz KITUQKYEFVEVKY-LLVKDONJSA-N -1 3 388.269 3.489 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736269985 1443371851 /nfs/dbraw/zinc/37/18/51/1443371851.db2.gz IBBUEXZYXOBVPF-OXJNMPFZSA-N -1 3 385.512 3.305 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736269985 1443371856 /nfs/dbraw/zinc/37/18/56/1443371856.db2.gz IBBUEXZYXOBVPF-OXJNMPFZSA-N -1 3 385.512 3.305 20 0 GGADHM Fc1ccccc1COC1CCN(CCOc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826378753 1443451485 /nfs/dbraw/zinc/45/14/85/1443451485.db2.gz YWBQYQRZPLRMLG-UHFFFAOYSA-N -1 3 397.454 3.066 20 0 GGADHM CC(C)(C)[C@@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735597178 1443469635 /nfs/dbraw/zinc/46/96/35/1443469635.db2.gz NDEAXEWBGOAGKX-AEFFLSMTSA-N -1 3 382.512 3.120 20 0 GGADHM CC(C)(C)[C@@H]1CCCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597178 1443469636 /nfs/dbraw/zinc/46/96/36/1443469636.db2.gz NDEAXEWBGOAGKX-AEFFLSMTSA-N -1 3 382.512 3.120 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H]2c3ccccc3CCC2(C)C)c(-c2nn[n-]n2)c1C ZINC000826342378 1443496028 /nfs/dbraw/zinc/49/60/28/1443496028.db2.gz IDNRLJIMFGLYSM-GOSISDBHSA-N -1 3 394.479 3.318 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H]2c3ccccc3CCC2(C)C)c(-c2nnn[n-]2)c1C ZINC000826342378 1443496029 /nfs/dbraw/zinc/49/60/29/1443496029.db2.gz IDNRLJIMFGLYSM-GOSISDBHSA-N -1 3 394.479 3.318 20 0 GGADHM CCCS(=O)(=O)CCN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825341814 1443513029 /nfs/dbraw/zinc/51/30/29/1443513029.db2.gz KUJOTQPNCVWAME-OAHLLOKOSA-N -1 3 399.520 3.009 20 0 GGADHM CCCS(=O)(=O)CCN[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825341814 1443513032 /nfs/dbraw/zinc/51/30/32/1443513032.db2.gz KUJOTQPNCVWAME-OAHLLOKOSA-N -1 3 399.520 3.009 20 0 GGADHM CC1CCC(OC2CCN(CCOc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000736244892 1443529618 /nfs/dbraw/zinc/52/96/18/1443529618.db2.gz PCXOYPZETVBLEJ-UHFFFAOYSA-N -1 3 385.512 3.305 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000822220179 1443530754 /nfs/dbraw/zinc/53/07/54/1443530754.db2.gz HFJVTFCOTSRUQJ-QGZVFWFLSA-N -1 3 399.886 3.253 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000822220179 1443530757 /nfs/dbraw/zinc/53/07/57/1443530757.db2.gz HFJVTFCOTSRUQJ-QGZVFWFLSA-N -1 3 399.886 3.253 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCCC[C@H]1c1ccc(C)o1 ZINC000737033633 1443549553 /nfs/dbraw/zinc/54/95/53/1443549553.db2.gz VSJFPNUETYAMGN-INIZCTEOSA-N -1 3 383.452 3.383 20 0 GGADHM CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000736512383 1443552222 /nfs/dbraw/zinc/55/22/22/1443552222.db2.gz YLWZEPZHTIVXER-UHFFFAOYSA-N -1 3 387.532 3.317 20 0 GGADHM CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000736512383 1443552224 /nfs/dbraw/zinc/55/22/24/1443552224.db2.gz YLWZEPZHTIVXER-UHFFFAOYSA-N -1 3 387.532 3.317 20 0 GGADHM C[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c2ccccc21 ZINC000824891487 1443588961 /nfs/dbraw/zinc/58/89/61/1443588961.db2.gz ADGAGOWLHOQZMT-VOBQZIQPSA-N -1 3 388.475 3.200 20 0 GGADHM C[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c2ccccc21 ZINC000824891487 1443588963 /nfs/dbraw/zinc/58/89/63/1443588963.db2.gz ADGAGOWLHOQZMT-VOBQZIQPSA-N -1 3 388.475 3.200 20 0 GGADHM COc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826194174 1443599998 /nfs/dbraw/zinc/59/99/98/1443599998.db2.gz DCIFGPNKTBRCNF-LJQANCHMSA-N -1 3 393.491 3.099 20 0 GGADHM COc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826194174 1443600002 /nfs/dbraw/zinc/60/00/02/1443600002.db2.gz DCIFGPNKTBRCNF-LJQANCHMSA-N -1 3 393.491 3.099 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000826182442 1443600531 /nfs/dbraw/zinc/60/05/31/1443600531.db2.gz JTQOQFCSCFZARA-HXUWFJFHSA-N -1 3 393.491 3.099 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000826182442 1443600537 /nfs/dbraw/zinc/60/05/37/1443600537.db2.gz JTQOQFCSCFZARA-HXUWFJFHSA-N -1 3 393.491 3.099 20 0 GGADHM Cc1cc(C)cc([C@@H](O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264477 1443603274 /nfs/dbraw/zinc/60/32/74/1443603274.db2.gz PXPLWCOOZXWYLN-NRFANRHFSA-N -1 3 375.476 3.306 20 0 GGADHM Cc1cc(C)cc([C@@H](O)CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264477 1443603278 /nfs/dbraw/zinc/60/32/78/1443603278.db2.gz PXPLWCOOZXWYLN-NRFANRHFSA-N -1 3 375.476 3.306 20 0 GGADHM C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824553252 1443641996 /nfs/dbraw/zinc/64/19/96/1443641996.db2.gz APTSWOBVZYKTTK-CQSZACIVSA-N -1 3 378.480 3.099 20 0 GGADHM CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccs1 ZINC000736758405 1443664721 /nfs/dbraw/zinc/66/47/21/1443664721.db2.gz HEOYZRMDSXXSJY-SNVBAGLBSA-N -1 3 383.403 3.057 20 0 GGADHM CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccs1 ZINC000736758405 1443664724 /nfs/dbraw/zinc/66/47/24/1443664724.db2.gz HEOYZRMDSXXSJY-SNVBAGLBSA-N -1 3 383.403 3.057 20 0 GGADHM CCOc1ccc(C(=O)C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001139094217 1443694894 /nfs/dbraw/zinc/69/48/94/1443694894.db2.gz YXMMMISQDGNQDC-UHFFFAOYSA-N -1 3 391.475 3.360 20 0 GGADHM CCOc1ccc(C(=O)C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001139094217 1443694897 /nfs/dbraw/zinc/69/48/97/1443694897.db2.gz YXMMMISQDGNQDC-UHFFFAOYSA-N -1 3 391.475 3.360 20 0 GGADHM C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539882 1443701464 /nfs/dbraw/zinc/70/14/64/1443701464.db2.gz QMTPRVHULRJBQX-IFXJQAMLSA-N -1 3 391.454 3.374 20 0 GGADHM C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539882 1443701467 /nfs/dbraw/zinc/70/14/67/1443701467.db2.gz QMTPRVHULRJBQX-IFXJQAMLSA-N -1 3 391.454 3.374 20 0 GGADHM CCCCC[C@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825266683 1443705616 /nfs/dbraw/zinc/70/56/16/1443705616.db2.gz GKCKABXEJAQLMR-FQEVSTJZSA-N -1 3 392.507 3.394 20 0 GGADHM CCCCC[C@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825266683 1443705619 /nfs/dbraw/zinc/70/56/19/1443705619.db2.gz GKCKABXEJAQLMR-FQEVSTJZSA-N -1 3 392.507 3.394 20 0 GGADHM C[C@@H](c1nc2ccccc2o1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824779416 1443742552 /nfs/dbraw/zinc/74/25/52/1443742552.db2.gz VGVHJHKAKHRCNK-HNNXBMFYSA-N -1 3 389.463 3.281 20 0 GGADHM Cc1nc([C@H]2C[C@@H]3CCN(Cc4cccc(-c5nn[n-]n5)c4)C[C@H]3O2)sc1C ZINC001139851523 1443761384 /nfs/dbraw/zinc/76/13/84/1443761384.db2.gz BFYLKGHWZBYANV-CGTJXYLNSA-N -1 3 396.520 3.292 20 0 GGADHM CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825285000 1443836909 /nfs/dbraw/zinc/83/69/09/1443836909.db2.gz GBASEGIJUIGHAV-HZPDHXFCSA-N -1 3 392.507 3.489 20 0 GGADHM CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825285000 1443836912 /nfs/dbraw/zinc/83/69/12/1443836912.db2.gz GBASEGIJUIGHAV-HZPDHXFCSA-N -1 3 392.507 3.489 20 0 GGADHM c1csc(-c2n[nH]cc2CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000826525995 1443853166 /nfs/dbraw/zinc/85/31/66/1443853166.db2.gz HHSHJHYDOKYKMR-UHFFFAOYSA-N -1 3 377.477 3.483 20 0 GGADHM c1csc(-c2n[nH]cc2CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826525995 1443853168 /nfs/dbraw/zinc/85/31/68/1443853168.db2.gz HHSHJHYDOKYKMR-UHFFFAOYSA-N -1 3 377.477 3.483 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2)C2CCC2)c(-c2nn[n-]n2)c1C ZINC000737550778 1443865688 /nfs/dbraw/zinc/86/56/88/1443865688.db2.gz CGQQXXFHBWVMHD-GOSISDBHSA-N -1 3 380.452 3.146 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2)C2CCC2)c(-c2nnn[n-]2)c1C ZINC000737550778 1443865691 /nfs/dbraw/zinc/86/56/91/1443865691.db2.gz CGQQXXFHBWVMHD-GOSISDBHSA-N -1 3 380.452 3.146 20 0 GGADHM CC[C@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccs1 ZINC000825141820 1443921249 /nfs/dbraw/zinc/92/12/49/1443921249.db2.gz QBULRGFSSYSWOT-HOTGVXAUSA-N -1 3 382.493 3.165 20 0 GGADHM CC[C@H](N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccs1 ZINC000825141820 1443921252 /nfs/dbraw/zinc/92/12/52/1443921252.db2.gz QBULRGFSSYSWOT-HOTGVXAUSA-N -1 3 382.493 3.165 20 0 GGADHM CN(C)[C@H](CNc1ccc(Br)cc1-c1nn[n-]n1)c1ccsc1 ZINC000825850750 1443922771 /nfs/dbraw/zinc/92/27/71/1443922771.db2.gz RNPTYPSBFRSKHZ-CQSZACIVSA-N -1 3 393.314 3.406 20 0 GGADHM CN(C)[C@H](CNc1ccc(Br)cc1-c1nnn[n-]1)c1ccsc1 ZINC000825850750 1443922772 /nfs/dbraw/zinc/92/27/72/1443922772.db2.gz RNPTYPSBFRSKHZ-CQSZACIVSA-N -1 3 393.314 3.406 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC(OCC2CCCCC2)CC1 ZINC000826168115 1443925619 /nfs/dbraw/zinc/92/56/19/1443925619.db2.gz CNKUJDHWJIUUSD-UHFFFAOYSA-N -1 3 385.512 3.437 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC(OCC2CCCCC2)CC1 ZINC000826168115 1443925621 /nfs/dbraw/zinc/92/56/21/1443925621.db2.gz CNKUJDHWJIUUSD-UHFFFAOYSA-N -1 3 385.512 3.437 20 0 GGADHM CN(CCc1ccc(Br)cc1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736804345 1443930547 /nfs/dbraw/zinc/93/05/47/1443930547.db2.gz KWPYKPUPNXPDDG-UHFFFAOYSA-N -1 3 390.260 3.443 20 0 GGADHM CN(CCc1ccc(Br)cc1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736804345 1443930550 /nfs/dbraw/zinc/93/05/50/1443930550.db2.gz KWPYKPUPNXPDDG-UHFFFAOYSA-N -1 3 390.260 3.443 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737345439 1443945456 /nfs/dbraw/zinc/94/54/56/1443945456.db2.gz RELSGQCYVWEKFV-RDTXWAMCSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737345439 1443945459 /nfs/dbraw/zinc/94/54/59/1443945459.db2.gz RELSGQCYVWEKFV-RDTXWAMCSA-N -1 3 394.454 3.160 20 0 GGADHM COc1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc2n1 ZINC000826179281 1443946391 /nfs/dbraw/zinc/94/63/91/1443946391.db2.gz HUVXKYANQIZDEG-LBPRGKRZSA-N -1 3 378.411 3.413 20 0 GGADHM COc1cc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc2n1 ZINC000826179281 1443946394 /nfs/dbraw/zinc/94/63/94/1443946394.db2.gz HUVXKYANQIZDEG-LBPRGKRZSA-N -1 3 378.411 3.413 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CC[C@@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826332337 1446092821 /nfs/dbraw/zinc/09/28/21/1446092821.db2.gz QQPVWNZOGCSKEZ-LJQANCHMSA-N -1 3 385.475 3.178 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CC[C@@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826332337 1446092824 /nfs/dbraw/zinc/09/28/24/1446092824.db2.gz QQPVWNZOGCSKEZ-LJQANCHMSA-N -1 3 385.475 3.178 20 0 GGADHM C[C@@H](NC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000820420445 1446241895 /nfs/dbraw/zinc/24/18/95/1446241895.db2.gz QZLZPJWUHURFKQ-BDJLRTHQSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@@H](NC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000820420445 1446241898 /nfs/dbraw/zinc/24/18/98/1446241898.db2.gz QZLZPJWUHURFKQ-BDJLRTHQSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736129362 1446257591 /nfs/dbraw/zinc/25/75/91/1446257591.db2.gz DIBNYDIBRANANA-RYUDHWBXSA-N -1 3 382.493 3.095 20 0 GGADHM CN(C)[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(F)c1 ZINC000736761050 1446315462 /nfs/dbraw/zinc/31/54/62/1446315462.db2.gz TWAHRCFXCSCSDM-SFHVURJKSA-N -1 3 377.427 3.269 20 0 GGADHM CN(C)[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(F)c1 ZINC000736761050 1446315465 /nfs/dbraw/zinc/31/54/65/1446315465.db2.gz TWAHRCFXCSCSDM-SFHVURJKSA-N -1 3 377.427 3.269 20 0 GGADHM COc1ccc(CN[C@H](CC(=O)OC(C)C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826202442 1446376320 /nfs/dbraw/zinc/37/63/20/1446376320.db2.gz ZWJANUSRIIZWIL-GOSISDBHSA-N -1 3 395.463 3.048 20 0 GGADHM COc1ccc(CN[C@H](CC(=O)OC(C)C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826202442 1446376324 /nfs/dbraw/zinc/37/63/24/1446376324.db2.gz ZWJANUSRIIZWIL-GOSISDBHSA-N -1 3 395.463 3.048 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC000737246444 1446395895 /nfs/dbraw/zinc/39/58/95/1446395895.db2.gz UPHTZMIQFZTKMX-OAHLLOKOSA-N -1 3 388.834 3.249 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC000737246444 1446395898 /nfs/dbraw/zinc/39/58/98/1446395898.db2.gz UPHTZMIQFZTKMX-OAHLLOKOSA-N -1 3 388.834 3.249 20 0 GGADHM COc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826218322 1446397674 /nfs/dbraw/zinc/39/76/74/1446397674.db2.gz YUAJKNHURZXMLX-QZTJIDSGSA-N -1 3 377.448 3.366 20 0 GGADHM COc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826218322 1446397678 /nfs/dbraw/zinc/39/76/78/1446397678.db2.gz YUAJKNHURZXMLX-QZTJIDSGSA-N -1 3 377.448 3.366 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)C[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737546604 1446410841 /nfs/dbraw/zinc/41/08/41/1446410841.db2.gz DMEQCNYQOBVGSK-JDFRZJQESA-N -1 3 394.479 3.282 20 0 GGADHM CCN(CC)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825411643 1446444933 /nfs/dbraw/zinc/44/49/33/1446444933.db2.gz AHUGAZARYQLFJN-HNNXBMFYSA-N -1 3 378.480 3.053 20 0 GGADHM CCN(CC)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825411643 1446444935 /nfs/dbraw/zinc/44/49/35/1446444935.db2.gz AHUGAZARYQLFJN-HNNXBMFYSA-N -1 3 378.480 3.053 20 0 GGADHM C[C@@H](CN(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC000824412980 1446456104 /nfs/dbraw/zinc/45/61/04/1446456104.db2.gz IBTYRCYSUUDCIU-OXJNMPFZSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@@H](CN(C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000824412980 1446456105 /nfs/dbraw/zinc/45/61/05/1446456105.db2.gz IBTYRCYSUUDCIU-OXJNMPFZSA-N -1 3 390.491 3.098 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)c(-c2nn[n-]n2)c1C ZINC000737550781 1446457090 /nfs/dbraw/zinc/45/70/90/1446457090.db2.gz CGQQXXFHBWVMHD-SFHVURJKSA-N -1 3 380.452 3.146 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)c(-c2nnn[n-]2)c1C ZINC000737550781 1446457091 /nfs/dbraw/zinc/45/70/91/1446457091.db2.gz CGQQXXFHBWVMHD-SFHVURJKSA-N -1 3 380.452 3.146 20 0 GGADHM c1ccc2cc(CN3CCN(Cc4ccc(-c5nn[n-]n5)cc4)CC3)ccc2c1 ZINC001139094755 1446489974 /nfs/dbraw/zinc/48/99/74/1446489974.db2.gz HMLUCPMHTKXBBR-UHFFFAOYSA-N -1 3 384.487 3.338 20 0 GGADHM c1ccc2cc(CN3CCN(Cc4ccc(-c5nnn[n-]5)cc4)CC3)ccc2c1 ZINC001139094755 1446489976 /nfs/dbraw/zinc/48/99/76/1446489976.db2.gz HMLUCPMHTKXBBR-UHFFFAOYSA-N -1 3 384.487 3.338 20 0 GGADHM CCOc1cccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825649637 1446564938 /nfs/dbraw/zinc/56/49/38/1446564938.db2.gz SYYSPGYQMFRKQA-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM CCOc1cccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825649637 1446564941 /nfs/dbraw/zinc/56/49/41/1446564941.db2.gz SYYSPGYQMFRKQA-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824554199 1446565935 /nfs/dbraw/zinc/56/59/35/1446565935.db2.gz NMSZTAXRYVHFSX-VLIAUNLRSA-N -1 3 396.470 3.170 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824554199 1446565939 /nfs/dbraw/zinc/56/59/39/1446565939.db2.gz NMSZTAXRYVHFSX-VLIAUNLRSA-N -1 3 396.470 3.170 20 0 GGADHM O[C@H](CN1CCC(Oc2ccccc2Cl)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503148 1446594371 /nfs/dbraw/zinc/59/43/71/1446594371.db2.gz RMFUKHKRZZFWFG-GOSISDBHSA-N -1 3 399.882 3.097 20 0 GGADHM O[C@H](CN1CCC(Oc2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503148 1446594376 /nfs/dbraw/zinc/59/43/76/1446594376.db2.gz RMFUKHKRZZFWFG-GOSISDBHSA-N -1 3 399.882 3.097 20 0 GGADHM CCc1ccc2c(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc(=O)oc2c1 ZINC000821486397 1446605793 /nfs/dbraw/zinc/60/57/93/1446605793.db2.gz FNGFFJAATGCOPZ-ZDUSSCGKSA-N -1 3 375.432 3.386 20 0 GGADHM CCc1ccc2c(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000821486397 1446605797 /nfs/dbraw/zinc/60/57/97/1446605797.db2.gz FNGFFJAATGCOPZ-ZDUSSCGKSA-N -1 3 375.432 3.386 20 0 GGADHM COCCN(CCOc1ccc(SC)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821690017 1446615524 /nfs/dbraw/zinc/61/55/24/1446615524.db2.gz WCGOMWYVEMRFJK-UHFFFAOYSA-N -1 3 399.520 3.116 20 0 GGADHM COCCN(CCOc1ccc(SC)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821690017 1446615532 /nfs/dbraw/zinc/61/55/32/1446615532.db2.gz WCGOMWYVEMRFJK-UHFFFAOYSA-N -1 3 399.520 3.116 20 0 GGADHM Cc1cccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826296316 1446636480 /nfs/dbraw/zinc/63/64/80/1446636480.db2.gz RMCVWGQIYBEORG-JXFKEZNVSA-N -1 3 390.491 3.330 20 0 GGADHM Cc1cccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826296316 1446636485 /nfs/dbraw/zinc/63/64/85/1446636485.db2.gz RMCVWGQIYBEORG-JXFKEZNVSA-N -1 3 390.491 3.330 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824898050 1446645595 /nfs/dbraw/zinc/64/55/95/1446645595.db2.gz CRDWIQUCEISGFO-LLSQANQASA-N -1 3 396.882 3.446 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824898050 1446645600 /nfs/dbraw/zinc/64/56/00/1446645600.db2.gz CRDWIQUCEISGFO-LLSQANQASA-N -1 3 396.882 3.446 20 0 GGADHM COCCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687626 1446654953 /nfs/dbraw/zinc/65/49/53/1446654953.db2.gz HZUUZLMRGCCTST-INIZCTEOSA-N -1 3 381.480 3.441 20 0 GGADHM c1cc(OCCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)c1 ZINC000823762405 1446712736 /nfs/dbraw/zinc/71/27/36/1446712736.db2.gz OFRXIHKEBRHMFD-GOSISDBHSA-N -1 3 393.447 3.201 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000821000586 1446763670 /nfs/dbraw/zinc/76/36/70/1446763670.db2.gz GTWQDLQJRHBDRN-VFVRVIDISA-N -1 3 392.463 3.388 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2NC1=O ZINC000821000586 1446763672 /nfs/dbraw/zinc/76/36/72/1446763672.db2.gz GTWQDLQJRHBDRN-VFVRVIDISA-N -1 3 392.463 3.388 20 0 GGADHM Brc1csc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000823831818 1446773048 /nfs/dbraw/zinc/77/30/48/1446773048.db2.gz DQGCMEAPZQLDQZ-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM Brc1csc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000823831818 1446773051 /nfs/dbraw/zinc/77/30/51/1446773051.db2.gz DQGCMEAPZQLDQZ-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM CN(C)[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000821581057 1446828296 /nfs/dbraw/zinc/82/82/96/1446828296.db2.gz BLVPVYNKQFJUBL-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(O[C@H]2CCOC2)c1 ZINC000822238511 1446918573 /nfs/dbraw/zinc/91/85/73/1446918573.db2.gz KKOBYDJUHJOEJM-KXBFYZLASA-N -1 3 379.464 3.194 20 0 GGADHM CCCN(C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825301885 1446938897 /nfs/dbraw/zinc/93/88/97/1446938897.db2.gz RTXWEADYCOJCSN-HNNXBMFYSA-N -1 3 378.480 3.053 20 0 GGADHM CCCN(C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825301885 1446938898 /nfs/dbraw/zinc/93/88/98/1446938898.db2.gz RTXWEADYCOJCSN-HNNXBMFYSA-N -1 3 378.480 3.053 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1CC2CCC(C1)O2 ZINC000823350636 1446956257 /nfs/dbraw/zinc/95/62/57/1446956257.db2.gz VGFHDMDNJKPOHT-HDICACEKSA-N -1 3 392.419 3.054 20 0 GGADHM O=C1[C@@H](N2CCCC3(CCCCC3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738289567 1446961813 /nfs/dbraw/zinc/96/18/13/1446961813.db2.gz IYJNBYLWXJLFAK-SFHVURJKSA-N -1 3 380.496 3.018 20 0 GGADHM O=C1[C@@H](N2CCCC3(CCCCC3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738289567 1446961814 /nfs/dbraw/zinc/96/18/14/1446961814.db2.gz IYJNBYLWXJLFAK-SFHVURJKSA-N -1 3 380.496 3.018 20 0 GGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197763 1447002227 /nfs/dbraw/zinc/00/22/27/1447002227.db2.gz OSVBYTAMKZLDJB-INIZCTEOSA-N -1 3 382.512 3.042 20 0 GGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197763 1447002234 /nfs/dbraw/zinc/00/22/34/1447002234.db2.gz OSVBYTAMKZLDJB-INIZCTEOSA-N -1 3 382.512 3.042 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826282684 1447020107 /nfs/dbraw/zinc/02/01/07/1447020107.db2.gz AKLQJONOAGBQJB-HZPDHXFCSA-N -1 3 378.480 3.012 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826282684 1447020111 /nfs/dbraw/zinc/02/01/11/1447020111.db2.gz AKLQJONOAGBQJB-HZPDHXFCSA-N -1 3 378.480 3.012 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000819877490 1447032046 /nfs/dbraw/zinc/03/20/46/1447032046.db2.gz WWPIEWQBQNOJBB-UXLLHSPISA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000819877490 1447032050 /nfs/dbraw/zinc/03/20/50/1447032050.db2.gz WWPIEWQBQNOJBB-UXLLHSPISA-N -1 3 376.464 3.072 20 0 GGADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821000270 1447034472 /nfs/dbraw/zinc/03/44/72/1447034472.db2.gz BPVOZDBMUDMMPR-ZIAGYGMSSA-N -1 3 389.891 3.001 20 0 GGADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821000270 1447034477 /nfs/dbraw/zinc/03/44/77/1447034477.db2.gz BPVOZDBMUDMMPR-ZIAGYGMSSA-N -1 3 389.891 3.001 20 0 GGADHM COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821693680 1447053054 /nfs/dbraw/zinc/05/30/54/1447053054.db2.gz JGGZDBODMJIJJL-CABCVRRESA-N -1 3 397.479 3.312 20 0 GGADHM COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821693680 1447053056 /nfs/dbraw/zinc/05/30/56/1447053056.db2.gz JGGZDBODMJIJJL-CABCVRRESA-N -1 3 397.479 3.312 20 0 GGADHM COc1cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1OC(F)F ZINC000826179232 1447069149 /nfs/dbraw/zinc/06/91/49/1447069149.db2.gz FMBHPRWZOBDSBG-UHFFFAOYSA-N -1 3 387.390 3.256 20 0 GGADHM COc1cc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1OC(F)F ZINC000826179232 1447069150 /nfs/dbraw/zinc/06/91/50/1447069150.db2.gz FMBHPRWZOBDSBG-UHFFFAOYSA-N -1 3 387.390 3.256 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821701915 1447176944 /nfs/dbraw/zinc/17/69/44/1447176944.db2.gz AIZDFIXTSDMJCO-KBXCAEBGSA-N -1 3 397.454 3.476 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821701915 1447176952 /nfs/dbraw/zinc/17/69/52/1447176952.db2.gz AIZDFIXTSDMJCO-KBXCAEBGSA-N -1 3 397.454 3.476 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820412832 1447238940 /nfs/dbraw/zinc/23/89/40/1447238940.db2.gz MQZJMGNHBBVFFH-GJZGRUSLSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412832 1447238943 /nfs/dbraw/zinc/23/89/43/1447238943.db2.gz MQZJMGNHBBVFFH-GJZGRUSLSA-N -1 3 376.464 3.405 20 0 GGADHM C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736130616 1447240088 /nfs/dbraw/zinc/24/00/88/1447240088.db2.gz HUNTTXMXIBAPIS-BFUOFWGJSA-N -1 3 394.454 3.464 20 0 GGADHM C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736130616 1447240091 /nfs/dbraw/zinc/24/00/91/1447240091.db2.gz HUNTTXMXIBAPIS-BFUOFWGJSA-N -1 3 394.454 3.464 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824563383 1447258974 /nfs/dbraw/zinc/25/89/74/1447258974.db2.gz NOELPTKNAMLNGL-LLVKDONJSA-N -1 3 390.369 3.175 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824563383 1447258977 /nfs/dbraw/zinc/25/89/77/1447258977.db2.gz NOELPTKNAMLNGL-LLVKDONJSA-N -1 3 390.369 3.175 20 0 GGADHM C[C@H]1COCCCN1Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825006497 1447317240 /nfs/dbraw/zinc/31/72/40/1447317240.db2.gz KDMHEZYJSFYHDG-INIZCTEOSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@H]1COCCCN1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825006497 1447317248 /nfs/dbraw/zinc/31/72/48/1447317248.db2.gz KDMHEZYJSFYHDG-INIZCTEOSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820426048 1447344301 /nfs/dbraw/zinc/34/43/01/1447344301.db2.gz FCPLXPBLKCVWAD-CYBMUJFWSA-N -1 3 387.443 3.313 20 0 GGADHM C[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820426048 1447344303 /nfs/dbraw/zinc/34/43/03/1447344303.db2.gz FCPLXPBLKCVWAD-CYBMUJFWSA-N -1 3 387.443 3.313 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826349425 1449012681 /nfs/dbraw/zinc/01/26/81/1449012681.db2.gz HQVCTEMYYCENOG-QGZVFWFLSA-N -1 3 382.493 3.224 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826349425 1449012687 /nfs/dbraw/zinc/01/26/87/1449012687.db2.gz HQVCTEMYYCENOG-QGZVFWFLSA-N -1 3 382.493 3.224 20 0 GGADHM Cc1csc(C2(NCCCOc3cccc(-c4nn[n-]n4)c3)CCCC2)n1 ZINC000822410068 1449016996 /nfs/dbraw/zinc/01/69/96/1449016996.db2.gz WFCCXZALFHRSGZ-UHFFFAOYSA-N -1 3 384.509 3.460 20 0 GGADHM Cc1csc(C2(NCCCOc3cccc(-c4nnn[n-]4)c3)CCCC2)n1 ZINC000822410068 1449017002 /nfs/dbraw/zinc/01/70/02/1449017002.db2.gz WFCCXZALFHRSGZ-UHFFFAOYSA-N -1 3 384.509 3.460 20 0 GGADHM CN(Cc1cccc(Br)c1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821613664 1449035917 /nfs/dbraw/zinc/03/59/17/1449035917.db2.gz XIZVXCYMFIAVRX-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM CN(Cc1cccc(Br)c1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821613664 1449035923 /nfs/dbraw/zinc/03/59/23/1449035923.db2.gz XIZVXCYMFIAVRX-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM Cc1cccc([C@@H](NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C)c1 ZINC000826297208 1449138295 /nfs/dbraw/zinc/13/82/95/1449138295.db2.gz YWDQKHHAYPSPQR-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1cccc([C@@H](NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C)c1 ZINC000826297208 1449138299 /nfs/dbraw/zinc/13/82/99/1449138299.db2.gz YWDQKHHAYPSPQR-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825923800 1449291383 /nfs/dbraw/zinc/29/13/83/1449291383.db2.gz WIWUSWWNFMDYPH-UHFFFAOYSA-N -1 3 382.399 3.318 20 0 GGADHM Cc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737419884 1449298726 /nfs/dbraw/zinc/29/87/26/1449298726.db2.gz FXPBPIRQKSDBLX-QWHCGFSZSA-N -1 3 396.520 3.403 20 0 GGADHM Cc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737419884 1449298730 /nfs/dbraw/zinc/29/87/30/1449298730.db2.gz FXPBPIRQKSDBLX-QWHCGFSZSA-N -1 3 396.520 3.403 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824617296 1449344481 /nfs/dbraw/zinc/34/44/81/1449344481.db2.gz GDSAAOASPOTRQL-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824617296 1449344484 /nfs/dbraw/zinc/34/44/84/1449344484.db2.gz GDSAAOASPOTRQL-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM Clc1ccc([C@H](NCc2cnc3c(-c4nn[n-]n4)cnn3c2)C2CCC2)cc1 ZINC000737571273 1449345782 /nfs/dbraw/zinc/34/57/82/1449345782.db2.gz ZDEGGDFAEJSMLG-QGZVFWFLSA-N -1 3 394.870 3.194 20 0 GGADHM Clc1ccc([C@H](NCc2cnc3c(-c4nnn[n-]4)cnn3c2)C2CCC2)cc1 ZINC000737571273 1449345789 /nfs/dbraw/zinc/34/57/89/1449345789.db2.gz ZDEGGDFAEJSMLG-QGZVFWFLSA-N -1 3 394.870 3.194 20 0 GGADHM CN(C)C(=O)C[C@H](N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000825841239 1449485689 /nfs/dbraw/zinc/48/56/89/1449485689.db2.gz ULRHHCBKRZOFDN-PMACEKPBSA-N -1 3 390.491 3.053 20 0 GGADHM CN(C)C(=O)C[C@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841239 1449485693 /nfs/dbraw/zinc/48/56/93/1449485693.db2.gz ULRHHCBKRZOFDN-PMACEKPBSA-N -1 3 390.491 3.053 20 0 GGADHM CCCCNC(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825284972 1449497432 /nfs/dbraw/zinc/49/74/32/1449497432.db2.gz FQYUBYZECICJIN-HNNXBMFYSA-N -1 3 378.480 3.101 20 0 GGADHM Fc1ccc(CN2CCC(OCc3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000826374479 1449540025 /nfs/dbraw/zinc/54/00/25/1449540025.db2.gz AEYDNDCJOKPPBV-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1ccc(CN2CCC(OCc3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000826374479 1449540029 /nfs/dbraw/zinc/54/00/29/1449540029.db2.gz AEYDNDCJOKPPBV-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCCOc1ccc(C(F)(F)F)cc1 ZINC000822743708 1449557500 /nfs/dbraw/zinc/55/75/00/1449557500.db2.gz DYIPFTYXWYXWSR-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCCOc1ccc(C(F)(F)F)cc1 ZINC000822743708 1449557504 /nfs/dbraw/zinc/55/75/04/1449557504.db2.gz DYIPFTYXWYXWSR-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM Cc1ccc([C@H](Cn2ccnc2)NCc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000826283954 1449590043 /nfs/dbraw/zinc/59/00/43/1449590043.db2.gz GGBMAUYNJWXOPE-SFHVURJKSA-N -1 3 379.493 3.273 20 0 GGADHM Cc1ccc([C@H](Cn2ccnc2)NCc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000826283954 1449590052 /nfs/dbraw/zinc/59/00/52/1449590052.db2.gz GGBMAUYNJWXOPE-SFHVURJKSA-N -1 3 379.493 3.273 20 0 GGADHM CN(CCOc1ccc(Br)cc1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825946145 1449621288 /nfs/dbraw/zinc/62/12/88/1449621288.db2.gz KSGKHZFGEWKDLM-UHFFFAOYSA-N -1 3 394.298 3.202 20 0 GGADHM CN(CCOc1ccc(Br)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825946145 1449621294 /nfs/dbraw/zinc/62/12/94/1449621294.db2.gz KSGKHZFGEWKDLM-UHFFFAOYSA-N -1 3 394.298 3.202 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000826262014 1449664715 /nfs/dbraw/zinc/66/47/15/1449664715.db2.gz BPBSRVAFJMDAFS-UHFFFAOYSA-N -1 3 382.443 3.203 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000826262014 1449664717 /nfs/dbraw/zinc/66/47/17/1449664717.db2.gz BPBSRVAFJMDAFS-UHFFFAOYSA-N -1 3 382.443 3.203 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSc2ccccc21 ZINC000820402390 1449685662 /nfs/dbraw/zinc/68/56/62/1449685662.db2.gz DERWAIIXRKPNEP-KBPBESRZSA-N -1 3 394.504 3.045 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(Cc1ccccc1F)C(C)C ZINC000737030905 1449726321 /nfs/dbraw/zinc/72/63/21/1449726321.db2.gz BNWDVEYTUPGICR-UHFFFAOYSA-N -1 3 385.443 3.304 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(Cc1ccccc1F)C(C)C ZINC000737030905 1449726323 /nfs/dbraw/zinc/72/63/23/1449726323.db2.gz BNWDVEYTUPGICR-UHFFFAOYSA-N -1 3 385.443 3.304 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822228626 1449728771 /nfs/dbraw/zinc/72/87/71/1449728771.db2.gz ASURFFLOHKHBLE-BBRMVZONSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822228626 1449728773 /nfs/dbraw/zinc/72/87/73/1449728773.db2.gz ASURFFLOHKHBLE-BBRMVZONSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc(N2CCC[C@@H](N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000822241068 1449736939 /nfs/dbraw/zinc/73/69/39/1449736939.db2.gz KCPYBWCCNDVLNX-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccc(N2CCC[C@@H](N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000822241068 1449736944 /nfs/dbraw/zinc/73/69/44/1449736944.db2.gz KCPYBWCCNDVLNX-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822228628 1449737542 /nfs/dbraw/zinc/73/75/42/1449737542.db2.gz ASURFFLOHKHBLE-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822228628 1449737545 /nfs/dbraw/zinc/73/75/45/1449737545.db2.gz ASURFFLOHKHBLE-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H](C)c1ccccc1 ZINC000824632534 1449774696 /nfs/dbraw/zinc/77/46/96/1449774696.db2.gz BBNKGIFBBPRMRQ-KGLIPLIRSA-N -1 3 375.436 3.199 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H](C)c1ccccc1 ZINC000824632534 1449774702 /nfs/dbraw/zinc/77/47/02/1449774702.db2.gz BBNKGIFBBPRMRQ-KGLIPLIRSA-N -1 3 375.436 3.199 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCC(c2cccc(F)c2)CC1 ZINC000821702379 1449807114 /nfs/dbraw/zinc/80/71/14/1449807114.db2.gz RHXGAVFKRDVFGC-UHFFFAOYSA-N -1 3 397.454 3.273 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820727880 1449853485 /nfs/dbraw/zinc/85/34/85/1449853485.db2.gz QFCZKOPDQXUJDU-AWEZNQCLSA-N -1 3 383.887 3.016 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820727880 1449853492 /nfs/dbraw/zinc/85/34/92/1449853492.db2.gz QFCZKOPDQXUJDU-AWEZNQCLSA-N -1 3 383.887 3.016 20 0 GGADHM CCC(CC)[C@@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000825096369 1449853560 /nfs/dbraw/zinc/85/35/60/1449853560.db2.gz MNWRGGKASFNFPK-LJQANCHMSA-N -1 3 398.536 3.312 20 0 GGADHM CCC(CC)[C@@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000825096369 1449853567 /nfs/dbraw/zinc/85/35/67/1449853567.db2.gz MNWRGGKASFNFPK-LJQANCHMSA-N -1 3 398.536 3.312 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826506488 1449865538 /nfs/dbraw/zinc/86/55/38/1449865538.db2.gz VQLUAWLJZKDMDV-TZMCWYRMSA-N -1 3 395.410 3.255 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826506488 1449865545 /nfs/dbraw/zinc/86/55/45/1449865545.db2.gz VQLUAWLJZKDMDV-TZMCWYRMSA-N -1 3 395.410 3.255 20 0 GGADHM COc1ccc(CN(C)Cc2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826193252 1449919149 /nfs/dbraw/zinc/91/91/49/1449919149.db2.gz WWJZNDSYHDDZBG-UHFFFAOYSA-N -1 3 393.369 3.406 20 0 GGADHM COc1ccc(CN(C)Cc2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826193252 1449919150 /nfs/dbraw/zinc/91/91/50/1449919150.db2.gz WWJZNDSYHDDZBG-UHFFFAOYSA-N -1 3 393.369 3.406 20 0 GGADHM COc1cccc([C@@H](C)N2CCN([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737120437 1449931988 /nfs/dbraw/zinc/93/19/88/1449931988.db2.gz AHGJOQWAZLFONE-DLBZAZTESA-N -1 3 392.507 3.315 20 0 GGADHM COc1cccc([C@@H](C)N2CCN([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737120437 1449931991 /nfs/dbraw/zinc/93/19/91/1449931991.db2.gz AHGJOQWAZLFONE-DLBZAZTESA-N -1 3 392.507 3.315 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000826282773 1450030547 /nfs/dbraw/zinc/03/05/47/1450030547.db2.gz CCOLEONLZFEMDX-UONOGXRCSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000826282773 1450030554 /nfs/dbraw/zinc/03/05/54/1450030554.db2.gz CCOLEONLZFEMDX-UONOGXRCSA-N -1 3 382.468 3.371 20 0 GGADHM C[C@H]1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820722273 1450059732 /nfs/dbraw/zinc/05/97/32/1450059732.db2.gz GWXVXGCEWZFDAD-GXTWGEPZSA-N -1 3 386.481 3.323 20 0 GGADHM C[C@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820722273 1450059738 /nfs/dbraw/zinc/05/97/38/1450059738.db2.gz GWXVXGCEWZFDAD-GXTWGEPZSA-N -1 3 386.481 3.323 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826331952 1450068323 /nfs/dbraw/zinc/06/83/23/1450068323.db2.gz FIOWXPNFEMSRLQ-LJQANCHMSA-N -1 3 385.475 3.480 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826331952 1450068327 /nfs/dbraw/zinc/06/83/27/1450068327.db2.gz FIOWXPNFEMSRLQ-LJQANCHMSA-N -1 3 385.475 3.480 20 0 GGADHM CC[C@@H](NCCOc1ccc(-c2nn[n-]n2)cc1OC)c1cc(F)ccc1F ZINC000825139666 1450075845 /nfs/dbraw/zinc/07/58/45/1450075845.db2.gz GEGHUVQZLREYNL-MRXNPFEDSA-N -1 3 389.406 3.273 20 0 GGADHM CC[C@@H](NCCOc1ccc(-c2nnn[n-]2)cc1OC)c1cc(F)ccc1F ZINC000825139666 1450075850 /nfs/dbraw/zinc/07/58/50/1450075850.db2.gz GEGHUVQZLREYNL-MRXNPFEDSA-N -1 3 389.406 3.273 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000826183212 1450184876 /nfs/dbraw/zinc/18/48/76/1450184876.db2.gz ICYNTZVSQJIPTJ-GOSISDBHSA-N -1 3 395.438 3.252 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000826183212 1450184883 /nfs/dbraw/zinc/18/48/83/1450184883.db2.gz ICYNTZVSQJIPTJ-GOSISDBHSA-N -1 3 395.438 3.252 20 0 GGADHM CCCS(=O)(=O)CCN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825341813 1450199690 /nfs/dbraw/zinc/19/96/90/1450199690.db2.gz KUJOTQPNCVWAME-HNNXBMFYSA-N -1 3 399.520 3.009 20 0 GGADHM CCCS(=O)(=O)CCN[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825341813 1450199697 /nfs/dbraw/zinc/19/96/97/1450199697.db2.gz KUJOTQPNCVWAME-HNNXBMFYSA-N -1 3 399.520 3.009 20 0 GGADHM COCCCCN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826155932 1450206324 /nfs/dbraw/zinc/20/63/24/1450206324.db2.gz IGFJXZSQXYYFRO-UHFFFAOYSA-N -1 3 381.480 3.304 20 0 GGADHM COCCCCN(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826155932 1450206331 /nfs/dbraw/zinc/20/63/31/1450206331.db2.gz IGFJXZSQXYYFRO-UHFFFAOYSA-N -1 3 381.480 3.304 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826373503 1450262458 /nfs/dbraw/zinc/26/24/58/1450262458.db2.gz OPKUBERRJFKMEU-INIZCTEOSA-N -1 3 377.427 3.020 20 0 GGADHM Brc1cccc2c1CC[C@@H]2NCc1cc(-c2nn[n-]n2)cs1 ZINC000819688348 1450330100 /nfs/dbraw/zinc/33/01/00/1450330100.db2.gz HIHPOJPAEHUQFH-AWEZNQCLSA-N -1 3 376.283 3.468 20 0 GGADHM Brc1cccc2c1CC[C@@H]2NCc1cc(-c2nnn[n-]2)cs1 ZINC000819688348 1450330103 /nfs/dbraw/zinc/33/01/03/1450330103.db2.gz HIHPOJPAEHUQFH-AWEZNQCLSA-N -1 3 376.283 3.468 20 0 GGADHM Fc1ccc(C(F)(F)F)cc1CNCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822766657 1450387434 /nfs/dbraw/zinc/38/74/34/1450387434.db2.gz MELSUNQQSWYOOU-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM Fc1ccc(C(F)(F)F)cc1CNCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822766657 1450387441 /nfs/dbraw/zinc/38/74/41/1450387441.db2.gz MELSUNQQSWYOOU-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820432851 1450477844 /nfs/dbraw/zinc/47/78/44/1450477844.db2.gz SPORXJUQMMDUJP-LLVKDONJSA-N -1 3 383.481 3.063 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)c1C ZINC000822557418 1450517504 /nfs/dbraw/zinc/51/75/04/1450517504.db2.gz ICVCPYPDDZCETR-GLQYFDAESA-N -1 3 388.541 3.384 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1C ZINC000822557418 1450517505 /nfs/dbraw/zinc/51/75/05/1450517505.db2.gz ICVCPYPDDZCETR-GLQYFDAESA-N -1 3 388.541 3.384 20 0 GGADHM COc1ccc(CN[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000821805308 1450522877 /nfs/dbraw/zinc/52/28/77/1450522877.db2.gz SUXJGKMRCQHUTJ-MRXNPFEDSA-N -1 3 383.427 3.406 20 0 GGADHM COc1ccc(CN[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC000821805308 1450522880 /nfs/dbraw/zinc/52/28/80/1450522880.db2.gz SUXJGKMRCQHUTJ-MRXNPFEDSA-N -1 3 383.427 3.406 20 0 GGADHM O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]12 ZINC001164402198 718857695 /nfs/dbraw/zinc/85/76/95/718857695.db2.gz JIXYDNDIEMKLHI-NXEZZACHSA-N -1 3 382.823 3.136 20 0 GGADHM O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]12 ZINC001164402202 718857707 /nfs/dbraw/zinc/85/77/07/718857707.db2.gz JIXYDNDIEMKLHI-ZJUUUORDSA-N -1 3 382.823 3.136 20 0 GGADHM CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164887057 721464460 /nfs/dbraw/zinc/46/44/60/721464460.db2.gz BOKXQOJPJHBNDW-MNOVXSKESA-N -1 3 390.887 3.047 20 0 GGADHM CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)C1=O ZINC001164979908 722162437 /nfs/dbraw/zinc/16/24/37/722162437.db2.gz LTDXARWGRLKNJZ-MRXNPFEDSA-N -1 3 396.850 3.088 20 0 GGADHM Cc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000737446923 945069957 /nfs/dbraw/zinc/06/99/57/945069957.db2.gz YRKRMOCQUDHDNK-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737446923 945069970 /nfs/dbraw/zinc/06/99/70/945069970.db2.gz YRKRMOCQUDHDNK-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cc1csc(=O)n1CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737456369 945072367 /nfs/dbraw/zinc/07/23/67/945072367.db2.gz FHUFSGCPESVYHN-UHFFFAOYSA-N -1 3 396.501 3.253 20 0 GGADHM Cc1csc(=O)n1CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737456369 945072375 /nfs/dbraw/zinc/07/23/75/945072375.db2.gz FHUFSGCPESVYHN-UHFFFAOYSA-N -1 3 396.501 3.253 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)cs1 ZINC000737463096 945072750 /nfs/dbraw/zinc/07/27/50/945072750.db2.gz IDLXSGJJESOTJS-NSHDSACASA-N -1 3 391.460 3.185 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)cs1 ZINC000737463096 945072762 /nfs/dbraw/zinc/07/27/62/945072762.db2.gz IDLXSGJJESOTJS-NSHDSACASA-N -1 3 391.460 3.185 20 0 GGADHM Cc1noc([C@H](C)OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737537859 945090350 /nfs/dbraw/zinc/09/03/50/945090350.db2.gz MGPJDWUFNDXBFC-NSHDSACASA-N -1 3 392.375 3.268 20 0 GGADHM Cc1noc([C@H](C)OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737537859 945090360 /nfs/dbraw/zinc/09/03/60/945090360.db2.gz MGPJDWUFNDXBFC-NSHDSACASA-N -1 3 392.375 3.268 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCc2ccccc21 ZINC000738483893 939058786 /nfs/dbraw/zinc/05/87/86/939058786.db2.gz TWRNQDZDWJMGCU-FDDCHVKYSA-N -1 3 396.462 3.080 20 0 GGADHM CC1CCN([C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2)c2cccs2)CC1 ZINC000780346396 939108054 /nfs/dbraw/zinc/10/80/54/939108054.db2.gz VZHQWZSXPCNPKI-HNNXBMFYSA-N -1 3 379.526 3.218 20 0 GGADHM O=C([O-])[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000780359948 939110051 /nfs/dbraw/zinc/11/00/51/939110051.db2.gz NTYRKVIHXDJWBN-WBVHZDCISA-N -1 3 379.526 3.218 20 0 GGADHM O=C([O-])[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000780359946 939110220 /nfs/dbraw/zinc/11/02/20/939110220.db2.gz NTYRKVIHXDJWBN-RDJZCZTQSA-N -1 3 379.526 3.218 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(OC)c1 ZINC000780373979 939112043 /nfs/dbraw/zinc/11/20/43/939112043.db2.gz LUANSFOWXYABFV-GOSISDBHSA-N -1 3 391.512 3.165 20 0 GGADHM CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)N1CCc2ccccc2C1 ZINC000780384122 939112782 /nfs/dbraw/zinc/11/27/82/939112782.db2.gz CGOCULSHDYNZRI-LJQANCHMSA-N -1 3 387.524 3.156 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780494191 939128618 /nfs/dbraw/zinc/12/86/18/939128618.db2.gz HLMVKZALYJYYOV-PMACEKPBSA-N -1 3 387.524 3.465 20 0 GGADHM Cc1cc(F)ccc1NC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900321959 939273246 /nfs/dbraw/zinc/27/32/46/939273246.db2.gz BBRDZRWNFJSRNV-NRFANRHFSA-N -1 3 385.439 3.375 20 0 GGADHM Cc1ccc(F)cc1NC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900322625 939273330 /nfs/dbraw/zinc/27/33/30/939273330.db2.gz ONWBDJICQDFIFU-NRFANRHFSA-N -1 3 385.439 3.375 20 0 GGADHM CC(=O)c1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000900320055 939273518 /nfs/dbraw/zinc/27/35/18/939273518.db2.gz RRJWHQZPHUTSNI-JOCHJYFZSA-N -1 3 395.459 3.130 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Nc2ccc(F)c(F)c2)CCCN(Cc2ccccc2)C1 ZINC000908622304 939302280 /nfs/dbraw/zinc/30/22/80/939302280.db2.gz ZAUBKWUHTPCXBW-HXUWFJFHSA-N -1 3 389.402 3.206 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Nc2cc(F)cc(F)c2)CCCN(Cc2ccccc2)C1 ZINC000908622812 939302317 /nfs/dbraw/zinc/30/23/17/939302317.db2.gz ZEDMFSFYLBQHHY-HXUWFJFHSA-N -1 3 389.402 3.206 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Nc2ccc3[nH]ccc3c2)CCCN(Cc2ccccc2)C1 ZINC000908618242 939302334 /nfs/dbraw/zinc/30/23/34/939302334.db2.gz FSQQYRLAWDOJFP-QFIPXVFZSA-N -1 3 392.459 3.409 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Nc2cc(F)cc(F)c2)CCCN(Cc2ccccc2)C1 ZINC000908622811 939302373 /nfs/dbraw/zinc/30/23/73/939302373.db2.gz ZEDMFSFYLBQHHY-FQEVSTJZSA-N -1 3 389.402 3.206 20 0 GGADHM Cc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000908622796 939302417 /nfs/dbraw/zinc/30/24/17/939302417.db2.gz YZBXXSIWBRGOGP-OAQYLSRUSA-N -1 3 385.439 3.375 20 0 GGADHM CCc1ccc(C)nc1NC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000908653148 939303693 /nfs/dbraw/zinc/30/36/93/939303693.db2.gz YBJHTNHKMGQOIQ-JOCHJYFZSA-N -1 3 396.491 3.193 20 0 GGADHM CN(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000908739568 939306894 /nfs/dbraw/zinc/30/68/94/939306894.db2.gz FZFCBWSKWNITLP-DLBZAZTESA-N -1 3 393.846 3.207 20 0 GGADHM O=C([O-])[C@]1(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCc2ccccc21 ZINC000908750162 939311075 /nfs/dbraw/zinc/31/10/75/939311075.db2.gz BICJJUQRKMMWNQ-OFNKIYASSA-N -1 3 393.487 3.049 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCc2ccccc21 ZINC000908750148 939311082 /nfs/dbraw/zinc/31/10/82/939311082.db2.gz AZHYNKIMJMVHEK-LAUBAEHRSA-N -1 3 399.516 3.111 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CCc2ccccc21 ZINC000908750147 939311162 /nfs/dbraw/zinc/31/11/62/939311162.db2.gz AZHYNKIMJMVHEK-DYESRHJHSA-N -1 3 399.516 3.111 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908757267 939314109 /nfs/dbraw/zinc/31/41/09/939314109.db2.gz SEAFHZNMXABTRS-PMACEKPBSA-N -1 3 381.476 3.003 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908757269 939314576 /nfs/dbraw/zinc/31/45/76/939314576.db2.gz SEAFHZNMXABTRS-UXHICEINSA-N -1 3 381.476 3.003 20 0 GGADHM CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)N1CCc2ccccc2C1 ZINC000908810178 939324570 /nfs/dbraw/zinc/32/45/70/939324570.db2.gz DOVCUWUANSDNCC-PXNSSMCTSA-N -1 3 399.466 3.088 20 0 GGADHM CC[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)N1CCc2ccccc2C1 ZINC000908810179 939324609 /nfs/dbraw/zinc/32/46/09/939324609.db2.gz DOVCUWUANSDNCC-XLIONFOSSA-N -1 3 399.466 3.088 20 0 GGADHM Cc1ccc([C@H](NC(=O)NCCCN2CCc3ccccc3C2)C(=O)[O-])cc1C ZINC000908820422 939328508 /nfs/dbraw/zinc/32/85/08/939328508.db2.gz NLYKAAUJTADZNM-NRFANRHFSA-N -1 3 395.503 3.177 20 0 GGADHM Cc1ccc([C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C(=O)[O-])cc1C ZINC000908820423 939328546 /nfs/dbraw/zinc/32/85/46/939328546.db2.gz NLYKAAUJTADZNM-OAQYLSRUSA-N -1 3 395.503 3.177 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000908820919 939329467 /nfs/dbraw/zinc/32/94/67/939329467.db2.gz WLUFGYJAUFWHBX-OAQYLSRUSA-N -1 3 395.503 3.177 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908847398 939335045 /nfs/dbraw/zinc/33/50/45/939335045.db2.gz PAYVDNDKWMIJDM-RTWAWAEBSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1cc([C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908847286 939335055 /nfs/dbraw/zinc/33/50/55/939335055.db2.gz MDZFQOGNSQQFDR-AZUAARDMSA-N -1 3 399.466 3.224 20 0 GGADHM Cc1cc([C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908847289 939335271 /nfs/dbraw/zinc/33/52/71/939335271.db2.gz MDZFQOGNSQQFDR-UYAOXDASSA-N -1 3 399.466 3.224 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000908858091 939337756 /nfs/dbraw/zinc/33/77/56/939337756.db2.gz FTHMLAWPSWIXTN-VQTJNVASSA-N -1 3 383.492 3.340 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)N(C)C)cc1 ZINC000908857597 939337936 /nfs/dbraw/zinc/33/79/36/939337936.db2.gz CRDQFXNMNPMCLR-VQTJNVASSA-N -1 3 383.492 3.340 20 0 GGADHM CC[C@](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)(C(=O)[O-])c1ccccc1 ZINC000908859772 939338599 /nfs/dbraw/zinc/33/85/99/939338599.db2.gz QIGZZVNJTLCDTP-SIKLNZKXSA-N -1 3 383.492 3.287 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)N(C)C)cc1 ZINC000908860167 939339042 /nfs/dbraw/zinc/33/90/42/939339042.db2.gz WTKLWERKYMDSPI-RBUKOAKNSA-N -1 3 387.455 3.170 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000908884662 939345069 /nfs/dbraw/zinc/34/50/69/939345069.db2.gz MJRKIFGAVMYRFT-WVBUVRCRSA-N -1 3 381.476 3.121 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000908884661 939345367 /nfs/dbraw/zinc/34/53/67/939345367.db2.gz MJRKIFGAVMYRFT-PERKRYKHSA-N -1 3 381.476 3.121 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000908884633 939345423 /nfs/dbraw/zinc/34/54/23/939345423.db2.gz LTRYHPXVUXGIDC-IDHHARJASA-N -1 3 385.439 3.086 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccs2)N2CCCC2)cc1 ZINC000908898578 939347524 /nfs/dbraw/zinc/34/75/24/939347524.db2.gz KWUHOPVGFOGMNY-SJLPKXTDSA-N -1 3 387.505 3.319 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccs2)N2CCCC2)cc1 ZINC000908898577 939347537 /nfs/dbraw/zinc/34/75/37/939347537.db2.gz KWUHOPVGFOGMNY-FUHWJXTLSA-N -1 3 387.505 3.319 20 0 GGADHM Cc1cc([C@@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908988392 939365909 /nfs/dbraw/zinc/36/59/09/939365909.db2.gz LYXRGDGEEKFBHS-DNVCBOLYSA-N -1 3 387.455 3.080 20 0 GGADHM CC[C@](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908987804 939366313 /nfs/dbraw/zinc/36/63/13/939366313.db2.gz JFLZVDJNMANHEG-VGOFRKELSA-N -1 3 383.492 3.196 20 0 GGADHM Cc1ccc([C@@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1C ZINC000908990825 939367387 /nfs/dbraw/zinc/36/73/87/939367387.db2.gz VPGFBPUTYDMVTE-YLJYHZDGSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])c1 ZINC000908991187 939367738 /nfs/dbraw/zinc/36/77/38/939367738.db2.gz ZRMPRALUBUZTJO-YLJYHZDGSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cc([C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908998414 939368750 /nfs/dbraw/zinc/36/87/50/939368750.db2.gz QXTGXPDVHFKWCR-ICSRJNTNSA-N -1 3 399.466 3.224 20 0 GGADHM CC[C@@](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908998436 939369514 /nfs/dbraw/zinc/36/95/14/939369514.db2.gz RKXTZFQTJLGFEN-OFNKIYASSA-N -1 3 395.503 3.340 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C(=O)[O-])c1C ZINC000909001395 939369569 /nfs/dbraw/zinc/36/95/69/939369569.db2.gz KPAACVYSIYRXLK-QMMLZNLJSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C(=O)[O-])c1C ZINC000909001396 939369773 /nfs/dbraw/zinc/36/97/73/939369773.db2.gz KPAACVYSIYRXLK-UIFIKXQLSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[O-])c1C ZINC000909066378 939375959 /nfs/dbraw/zinc/37/59/59/939375959.db2.gz FZUOYEHSFOVVKD-DQLDELGASA-N -1 3 395.503 3.249 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[O-])c1 ZINC000909069290 939376365 /nfs/dbraw/zinc/37/63/65/939376365.db2.gz NQXAMIIEKCBBKN-WMQCIHAUSA-N -1 3 395.503 3.249 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[O-])c1 ZINC000909069291 939376558 /nfs/dbraw/zinc/37/65/58/939376558.db2.gz NQXAMIIEKCBBKN-YYWHXJBOSA-N -1 3 395.503 3.249 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](C(=O)[O-])C1CCCCCC1 ZINC000909070026 939376632 /nfs/dbraw/zinc/37/66/32/939376632.db2.gz PRCPWBPCVAEAME-LSTHTHJFSA-N -1 3 387.524 3.230 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000909093662 939380113 /nfs/dbraw/zinc/38/01/13/939380113.db2.gz BRQHWSNZFJZQII-PBEJRMEISA-N -1 3 395.503 3.391 20 0 GGADHM CCC1CCC(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000909094214 939380122 /nfs/dbraw/zinc/38/01/22/939380122.db2.gz HOUZBAPEOBVEQT-FDHNLUJUSA-N -1 3 387.524 3.372 20 0 GGADHM CCC1CCC(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000909094216 939380611 /nfs/dbraw/zinc/38/06/11/939380611.db2.gz HOUZBAPEOBVEQT-KJUWTFRMSA-N -1 3 387.524 3.372 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)CN1Cc1ccccc1 ZINC000909095752 939380651 /nfs/dbraw/zinc/38/06/51/939380651.db2.gz WESFMRLZBMZOQQ-AHRSYUTCSA-N -1 3 387.524 3.372 20 0 GGADHM O=C([O-])[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc2ccccc2c1 ZINC000909528270 939402643 /nfs/dbraw/zinc/40/26/43/939402643.db2.gz QWPQBGHSGGVKOR-NRFANRHFSA-N -1 3 396.487 3.117 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000738209432 945254882 /nfs/dbraw/zinc/25/48/82/945254882.db2.gz OHVQGJMROXAVOM-RBZFPXEDSA-N -1 3 393.472 3.096 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000738209432 945254891 /nfs/dbraw/zinc/25/48/91/945254891.db2.gz OHVQGJMROXAVOM-RBZFPXEDSA-N -1 3 393.472 3.096 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738206123 945255348 /nfs/dbraw/zinc/25/53/48/945255348.db2.gz CYYLHWXCFPTLIH-JQWIXIFHSA-N -1 3 387.415 3.437 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738206123 945255354 /nfs/dbraw/zinc/25/53/54/945255354.db2.gz CYYLHWXCFPTLIH-JQWIXIFHSA-N -1 3 387.415 3.437 20 0 GGADHM CCO[C@H]1C[C@@](NC(=O)c2cccc(CN3CCCCC3)c2)(C(=O)[O-])C1(C)C ZINC000909605772 939722273 /nfs/dbraw/zinc/72/22/73/939722273.db2.gz YEZPVWPCDSCKEX-PGRDOPGGSA-N -1 3 388.508 3.061 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000909631814 939723704 /nfs/dbraw/zinc/72/37/04/939723704.db2.gz BXEABYUJWFCLPW-WMLDXEAASA-N -1 3 376.453 3.041 20 0 GGADHM CN(CC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)CC(C)(C)C ZINC000909760307 939727860 /nfs/dbraw/zinc/72/78/60/939727860.db2.gz ZNAJJAPSSJCASE-KRWDZBQOSA-N -1 3 375.296 3.387 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000910093409 939752157 /nfs/dbraw/zinc/75/21/57/939752157.db2.gz LRADPHBISBKIGC-PKOBYXMFSA-N -1 3 376.472 3.187 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)c1 ZINC000910939000 939762190 /nfs/dbraw/zinc/76/21/90/939762190.db2.gz AACSDZBIUDGIAF-INIZCTEOSA-N -1 3 396.365 3.203 20 0 GGADHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc(C)c1F ZINC001123275592 939818368 /nfs/dbraw/zinc/81/83/68/939818368.db2.gz SFPWLNBODGKBEH-JOCHJYFZSA-N -1 3 384.451 3.292 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc3scnc3c2)CCCN(Cc2ccccc2)C1 ZINC001123278121 939820090 /nfs/dbraw/zinc/82/00/90/939820090.db2.gz SFQVXJMTNXFUAR-NRFANRHFSA-N -1 3 395.484 3.146 20 0 GGADHM Cc1c(Cl)cccc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123377062 939823272 /nfs/dbraw/zinc/82/32/72/939823272.db2.gz RMRBZZXFPGBAPH-NRFANRHFSA-N -1 3 386.879 3.498 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cc(F)cc3ccoc32)CCCN(Cc2ccccc2)C1 ZINC001123379474 939823948 /nfs/dbraw/zinc/82/39/48/939823948.db2.gz WVKCZNURLCIJKM-JOCHJYFZSA-N -1 3 396.418 3.421 20 0 GGADHM C[C@@](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)(C(=O)[O-])c1ccccc1 ZINC000663140807 939857254 /nfs/dbraw/zinc/85/72/54/939857254.db2.gz HYGVENSOYHZODW-VGSWGCGISA-N -1 3 384.451 3.154 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000820001417 945324698 /nfs/dbraw/zinc/32/46/98/945324698.db2.gz LUOBMMPOTPEIAC-UHFFFAOYSA-N -1 3 390.403 3.318 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nc2ccccc2s1 ZINC000820005024 945326098 /nfs/dbraw/zinc/32/60/98/945326098.db2.gz JJSQTRSNAILGIH-UHFFFAOYSA-N -1 3 395.444 3.377 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nc2ccccc2s1 ZINC000820005024 945326110 /nfs/dbraw/zinc/32/61/10/945326110.db2.gz JJSQTRSNAILGIH-UHFFFAOYSA-N -1 3 395.444 3.377 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc2ccncc2c1 ZINC000820005625 945327123 /nfs/dbraw/zinc/32/71/23/945327123.db2.gz UFVDQDBSHQAKOX-UHFFFAOYSA-N -1 3 375.388 3.178 20 0 GGADHM CC(C)[C@@](C)(O)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000820016923 945330571 /nfs/dbraw/zinc/33/05/71/945330571.db2.gz QSWGQYOPCCFVSP-FQEVSTJZSA-N -1 3 397.504 3.155 20 0 GGADHM CC(C)[C@@](C)(O)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000820016923 945330579 /nfs/dbraw/zinc/33/05/79/945330579.db2.gz QSWGQYOPCCFVSP-FQEVSTJZSA-N -1 3 397.504 3.155 20 0 GGADHM CC(C)N1CC[C@@H](Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)C1=O ZINC000820131745 945358955 /nfs/dbraw/zinc/35/89/55/945358955.db2.gz DVTMRLCSYYESOH-MRXNPFEDSA-N -1 3 380.477 3.030 20 0 GGADHM CC(C)N1CC[C@@H](Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)C1=O ZINC000820131745 945358967 /nfs/dbraw/zinc/35/89/67/945358967.db2.gz DVTMRLCSYYESOH-MRXNPFEDSA-N -1 3 380.477 3.030 20 0 GGADHM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cccc(F)c1 ZINC000542355285 944637269 /nfs/dbraw/zinc/63/72/69/944637269.db2.gz XOJFLCQCVHGKRE-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cccc(F)c1 ZINC000542355285 944637274 /nfs/dbraw/zinc/63/72/74/944637274.db2.gz XOJFLCQCVHGKRE-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OC1CCCC1 ZINC000544208989 944637847 /nfs/dbraw/zinc/63/78/47/944637847.db2.gz YDFKEXBZWTVDTE-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OC1CCCC1 ZINC000544208989 944637853 /nfs/dbraw/zinc/63/78/53/944637853.db2.gz YDFKEXBZWTVDTE-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000735873596 944709216 /nfs/dbraw/zinc/70/92/16/944709216.db2.gz HVCCNSFXAQYCTP-UHFFFAOYSA-N -1 3 399.886 3.032 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000735873596 944709223 /nfs/dbraw/zinc/70/92/23/944709223.db2.gz HVCCNSFXAQYCTP-UHFFFAOYSA-N -1 3 399.886 3.032 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736269686 944781044 /nfs/dbraw/zinc/78/10/44/944781044.db2.gz HLOOZHLSFDKZDF-AAEUAGOBSA-N -1 3 375.498 3.341 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736269686 944781056 /nfs/dbraw/zinc/78/10/56/944781056.db2.gz HLOOZHLSFDKZDF-AAEUAGOBSA-N -1 3 375.498 3.341 20 0 GGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736290416 944786400 /nfs/dbraw/zinc/78/64/00/944786400.db2.gz JCLJZYDZQAJUNA-SJCJKPOMSA-N -1 3 398.467 3.165 20 0 GGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736290416 944786405 /nfs/dbraw/zinc/78/64/05/944786405.db2.gz JCLJZYDZQAJUNA-SJCJKPOMSA-N -1 3 398.467 3.165 20 0 GGADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000736290417 944788517 /nfs/dbraw/zinc/78/85/17/944788517.db2.gz JCLJZYDZQAJUNA-SJKOYZFVSA-N -1 3 398.467 3.165 20 0 GGADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000736290417 944788524 /nfs/dbraw/zinc/78/85/24/944788524.db2.gz JCLJZYDZQAJUNA-SJKOYZFVSA-N -1 3 398.467 3.165 20 0 GGADHM CCN(C[C@@H]1CCOC1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736533877 944841068 /nfs/dbraw/zinc/84/10/68/944841068.db2.gz HECMETDOJXBHTD-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM CCN(C[C@@H]1CCOC1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736533877 944841074 /nfs/dbraw/zinc/84/10/74/944841074.db2.gz HECMETDOJXBHTD-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000736634150 944859738 /nfs/dbraw/zinc/85/97/38/944859738.db2.gz IZABCIRKZIPECN-UHFFFAOYSA-N -1 3 382.405 3.234 20 0 GGADHM CCn1cc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000736723463 944879297 /nfs/dbraw/zinc/87/92/97/944879297.db2.gz WQERYUHBPHWUQV-UHFFFAOYSA-N -1 3 378.411 3.186 20 0 GGADHM CCn1cc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000736723463 944879300 /nfs/dbraw/zinc/87/93/00/944879300.db2.gz WQERYUHBPHWUQV-UHFFFAOYSA-N -1 3 378.411 3.186 20 0 GGADHM O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC001602041549 971125612 /nfs/dbraw/zinc/12/56/12/971125612.db2.gz FRCYGQBAUFCXEA-HXUWFJFHSA-N -1 3 381.476 3.490 20 0 GGADHM COC[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000736977258 944924277 /nfs/dbraw/zinc/92/42/77/944924277.db2.gz JSADPJKPEODDOH-HNNXBMFYSA-N -1 3 377.448 3.032 20 0 GGADHM COC[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000736977258 944924291 /nfs/dbraw/zinc/92/42/91/944924291.db2.gz JSADPJKPEODDOH-HNNXBMFYSA-N -1 3 377.448 3.032 20 0 GGADHM COCCN(C(=O)CCc1cc(Cl)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987787 944925759 /nfs/dbraw/zinc/92/57/59/944925759.db2.gz GJLHDDDBOYSHIL-UHFFFAOYSA-N -1 3 391.884 3.194 20 0 GGADHM COCCN(C(=O)CCc1cc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987787 944925767 /nfs/dbraw/zinc/92/57/67/944925767.db2.gz GJLHDDDBOYSHIL-UHFFFAOYSA-N -1 3 391.884 3.194 20 0 GGADHM CSCCc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737181809 944978944 /nfs/dbraw/zinc/97/89/44/944978944.db2.gz MACBPYULPKEKTL-ZDUSSCGKSA-N -1 3 383.477 3.178 20 0 GGADHM Cc1[nH]c2ccc(CNC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc2c1C ZINC000737199321 944983313 /nfs/dbraw/zinc/98/33/13/944983313.db2.gz MPDQWUFBPJWOII-UHFFFAOYSA-N -1 3 392.488 3.373 20 0 GGADHM Cc1[nH]c2ccc(CNC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc2c1C ZINC000737199321 944983322 /nfs/dbraw/zinc/98/33/22/944983322.db2.gz MPDQWUFBPJWOII-UHFFFAOYSA-N -1 3 392.488 3.373 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000737249051 945018649 /nfs/dbraw/zinc/01/86/49/945018649.db2.gz QZBHAQPEWBHWGC-UHFFFAOYSA-N -1 3 385.475 3.358 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000737249051 945018660 /nfs/dbraw/zinc/01/86/60/945018660.db2.gz QZBHAQPEWBHWGC-UHFFFAOYSA-N -1 3 385.475 3.358 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820334782 945416400 /nfs/dbraw/zinc/41/64/00/945416400.db2.gz PYSVNAYXOXXCBY-WTOJCKNJSA-N -1 3 395.488 3.028 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820334782 945416413 /nfs/dbraw/zinc/41/64/13/945416413.db2.gz PYSVNAYXOXXCBY-WTOJCKNJSA-N -1 3 395.488 3.028 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820373847 945436403 /nfs/dbraw/zinc/43/64/03/945436403.db2.gz JURMVSHHTUBVLR-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820373847 945436410 /nfs/dbraw/zinc/43/64/10/945436410.db2.gz JURMVSHHTUBVLR-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820497902 945463251 /nfs/dbraw/zinc/46/32/51/945463251.db2.gz WOTDEQGWDPZHNH-CQSZACIVSA-N -1 3 394.431 3.184 20 0 GGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820497902 945463257 /nfs/dbraw/zinc/46/32/57/945463257.db2.gz WOTDEQGWDPZHNH-CQSZACIVSA-N -1 3 394.431 3.184 20 0 GGADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc2ccc(Cl)cc2n1C ZINC000820512098 945470694 /nfs/dbraw/zinc/47/06/94/945470694.db2.gz HACAASIXHGGFDI-JTQLQIEISA-N -1 3 382.811 3.325 20 0 GGADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc2ccc(Cl)cc2n1C ZINC000820512098 945470698 /nfs/dbraw/zinc/47/06/98/945470698.db2.gz HACAASIXHGGFDI-JTQLQIEISA-N -1 3 382.811 3.325 20 0 GGADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820511741 945471392 /nfs/dbraw/zinc/47/13/92/945471392.db2.gz CCSPNZREEQDCPZ-SNVBAGLBSA-N -1 3 396.794 3.488 20 0 GGADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820511741 945471395 /nfs/dbraw/zinc/47/13/95/945471395.db2.gz CCSPNZREEQDCPZ-SNVBAGLBSA-N -1 3 396.794 3.488 20 0 GGADHM O=C([O-])Cc1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC001602137198 971154659 /nfs/dbraw/zinc/15/46/59/971154659.db2.gz CNMDQVWFLPUWFP-GOSISDBHSA-N -1 3 388.414 3.410 20 0 GGADHM CC[C@H](C)C(=O)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820862730 945576241 /nfs/dbraw/zinc/57/62/41/945576241.db2.gz RFQGAQZQDWJUJG-AWEZNQCLSA-N -1 3 394.431 3.218 20 0 GGADHM CCCCN(CCCC)C(=O)COc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000821064908 945628669 /nfs/dbraw/zinc/62/86/69/945628669.db2.gz BPTRVLINILJIQL-UHFFFAOYSA-N -1 3 395.891 3.336 20 0 GGADHM CCCCN(CCCC)C(=O)COc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000821064908 945628677 /nfs/dbraw/zinc/62/86/77/945628677.db2.gz BPTRVLINILJIQL-UHFFFAOYSA-N -1 3 395.891 3.336 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000821294873 945666365 /nfs/dbraw/zinc/66/63/65/945666365.db2.gz ZBAFYBBNPXFGHT-HZPDHXFCSA-N -1 3 378.436 3.049 20 0 GGADHM COC(C)(C)CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000821674061 945793824 /nfs/dbraw/zinc/79/38/24/945793824.db2.gz SMCMCYOLXOMLIT-UHFFFAOYSA-N -1 3 397.504 3.314 20 0 GGADHM COC(C)(C)CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000821674061 945793830 /nfs/dbraw/zinc/79/38/30/945793830.db2.gz SMCMCYOLXOMLIT-UHFFFAOYSA-N -1 3 397.504 3.314 20 0 GGADHM COCc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821696132 945829151 /nfs/dbraw/zinc/82/91/51/945829151.db2.gz XWGUSEIEUURRTD-UHFFFAOYSA-N -1 3 389.868 3.397 20 0 GGADHM COCc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821696132 945829163 /nfs/dbraw/zinc/82/91/63/945829163.db2.gz XWGUSEIEUURRTD-UHFFFAOYSA-N -1 3 389.868 3.397 20 0 GGADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc2c1O[C@@H](C)C2 ZINC000821703296 945838583 /nfs/dbraw/zinc/83/85/83/945838583.db2.gz YLTMCKBAXSCSGA-VIFPVBQESA-N -1 3 385.811 3.104 20 0 GGADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc2c1O[C@@H](C)C2 ZINC000821703296 945838598 /nfs/dbraw/zinc/83/85/98/945838598.db2.gz YLTMCKBAXSCSGA-VIFPVBQESA-N -1 3 385.811 3.104 20 0 GGADHM CSCCCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821970476 945912594 /nfs/dbraw/zinc/91/25/94/945912594.db2.gz OIZMDTXWMUQLMZ-UHFFFAOYSA-N -1 3 384.461 3.356 20 0 GGADHM Cc1cc(F)ccc1N(CCC1OCCCO1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822205691 945991641 /nfs/dbraw/zinc/99/16/41/945991641.db2.gz FITZJGBTZZAZTD-UHFFFAOYSA-N -1 3 397.454 3.474 20 0 GGADHM Cc1cc(F)ccc1N(CCC1OCCCO1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822205691 945991653 /nfs/dbraw/zinc/99/16/53/945991653.db2.gz FITZJGBTZZAZTD-UHFFFAOYSA-N -1 3 397.454 3.474 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)[C@@H](C)CO2)c1 ZINC000822231871 946013236 /nfs/dbraw/zinc/01/32/36/946013236.db2.gz KKMZDNIEAXCCMI-UWJYYQICSA-N -1 3 393.491 3.324 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(CCOc3cccc(-c4nn[n-]n4)c3)[C@@H](C)CO2)c1 ZINC000822231638 946013426 /nfs/dbraw/zinc/01/34/26/946013426.db2.gz BKQFOBFJODZYFN-LAUBAEHRSA-N -1 3 393.491 3.324 20 0 GGADHM Cc1ccc(/C=C/CC(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233496 946017282 /nfs/dbraw/zinc/01/72/82/946017282.db2.gz QDDVHQXKFUIFPM-NFAHFFEMSA-N -1 3 391.431 3.149 20 0 GGADHM Cc1ccc(/C=C/CC(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233496 946017289 /nfs/dbraw/zinc/01/72/89/946017289.db2.gz QDDVHQXKFUIFPM-NFAHFFEMSA-N -1 3 391.431 3.149 20 0 GGADHM Cc1ccc2c(CCC(=O)OCCOc3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822275628 946042719 /nfs/dbraw/zinc/04/27/19/946042719.db2.gz XJLTYEQSCFJOKH-UHFFFAOYSA-N -1 3 391.431 3.211 20 0 GGADHM Cc1cccc2[nH]c(COC(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000822331638 946058451 /nfs/dbraw/zinc/05/84/51/946058451.db2.gz IWDLINROGOEASK-CYBMUJFWSA-N -1 3 377.404 3.167 20 0 GGADHM Cc1noc(C)c1CCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822522359 946110901 /nfs/dbraw/zinc/11/09/01/946110901.db2.gz HSQPXANAGBPGMN-UHFFFAOYSA-N -1 3 383.843 3.140 20 0 GGADHM Cc1noc(C)c1CCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822522359 946110907 /nfs/dbraw/zinc/11/09/07/946110907.db2.gz HSQPXANAGBPGMN-UHFFFAOYSA-N -1 3 383.843 3.140 20 0 GGADHM Cc1sc(NC(=O)CN2CCCC[C@@H]2c2ccco2)c(-c2nnn[n-]2)c1C ZINC000822557047 946123534 /nfs/dbraw/zinc/12/35/34/946123534.db2.gz GCRISESGZQCYRD-CYBMUJFWSA-N -1 3 386.481 3.304 20 0 GGADHM Cc1sc(NC(=O)CN2CCCC[C@@H]2c2ccco2)c(-c2nn[n-]n2)c1C ZINC000822557047 946123540 /nfs/dbraw/zinc/12/35/40/946123540.db2.gz GCRISESGZQCYRD-CYBMUJFWSA-N -1 3 386.481 3.304 20 0 GGADHM O=C(CCc1cccc(Br)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822982262 946243911 /nfs/dbraw/zinc/24/39/11/946243911.db2.gz CXRHJRHQIJHSJO-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cccc(Br)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822982262 946243916 /nfs/dbraw/zinc/24/39/16/946243916.db2.gz CXRHJRHQIJHSJO-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CN1CC[C@@H]1c1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822991883 946251142 /nfs/dbraw/zinc/25/11/42/946251142.db2.gz HXXDDUGXEPTQAB-MRXNPFEDSA-N -1 3 386.818 3.045 20 0 GGADHM O=C(CN1CC[C@@H]1c1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822991883 946251152 /nfs/dbraw/zinc/25/11/52/946251152.db2.gz HXXDDUGXEPTQAB-MRXNPFEDSA-N -1 3 386.818 3.045 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1csc(Cc2ccccc2)n1 ZINC000823111436 946316236 /nfs/dbraw/zinc/31/62/36/946316236.db2.gz HWUKULRBFPNHFF-UHFFFAOYSA-N -1 3 391.456 3.200 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1csc(Cc2ccccc2)n1 ZINC000823111436 946316246 /nfs/dbraw/zinc/31/62/46/946316246.db2.gz HWUKULRBFPNHFF-UHFFFAOYSA-N -1 3 391.456 3.200 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1cc(F)ccc1Br ZINC000823111821 946316601 /nfs/dbraw/zinc/31/66/01/946316601.db2.gz OMKXTFSZFZXYQK-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1cc(F)ccc1Br ZINC000823111821 946316613 /nfs/dbraw/zinc/31/66/13/946316613.db2.gz OMKXTFSZFZXYQK-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823118973 946322263 /nfs/dbraw/zinc/32/22/63/946322263.db2.gz XWLXLOXDTSHYPT-UHFFFAOYSA-N -1 3 377.379 3.422 20 0 GGADHM O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823118973 946322272 /nfs/dbraw/zinc/32/22/72/946322272.db2.gz XWLXLOXDTSHYPT-UHFFFAOYSA-N -1 3 377.379 3.422 20 0 GGADHM O=C(NCCCC(F)(F)F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823187689 946340928 /nfs/dbraw/zinc/34/09/28/946340928.db2.gz NTOYVGRUZLXHOD-UHFFFAOYSA-N -1 3 395.341 3.111 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(OCc2ccccc2)ccn1 ZINC000823430197 946431181 /nfs/dbraw/zinc/43/11/81/946431181.db2.gz HCUGAFZIRYEPHX-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(OCc2ccccc2)ccn1 ZINC000823430197 946431187 /nfs/dbraw/zinc/43/11/87/946431187.db2.gz HCUGAFZIRYEPHX-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000823689184 946468735 /nfs/dbraw/zinc/46/87/35/946468735.db2.gz CQSKMAYYNAMNAY-HNNXBMFYSA-N -1 3 384.802 3.353 20 0 GGADHM O[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000823689184 946468744 /nfs/dbraw/zinc/46/87/44/946468744.db2.gz CQSKMAYYNAMNAY-HNNXBMFYSA-N -1 3 384.802 3.353 20 0 GGADHM Brc1ccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000823826279 946486188 /nfs/dbraw/zinc/48/61/88/946486188.db2.gz GBXWPYHNSNGMOZ-STQMWFEESA-N -1 3 392.301 3.272 20 0 GGADHM Brc1ccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000823826279 946486195 /nfs/dbraw/zinc/48/61/95/946486195.db2.gz GBXWPYHNSNGMOZ-STQMWFEESA-N -1 3 392.301 3.272 20 0 GGADHM Brc1ccc(NCc2ccc(-n3cccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000823832068 946487715 /nfs/dbraw/zinc/48/77/15/946487715.db2.gz JOADAQAILJFTNR-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM Brc1ccc(NCc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000823832068 946487720 /nfs/dbraw/zinc/48/77/20/946487720.db2.gz JOADAQAILJFTNR-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM Brc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000823832036 946488026 /nfs/dbraw/zinc/48/80/26/946488026.db2.gz IWHUOWPRJDZRFV-UHFFFAOYSA-N -1 3 391.298 3.250 20 0 GGADHM Brc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000823832036 946488029 /nfs/dbraw/zinc/48/80/29/946488029.db2.gz IWHUOWPRJDZRFV-UHFFFAOYSA-N -1 3 391.298 3.250 20 0 GGADHM Brc1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823832671 946488367 /nfs/dbraw/zinc/48/83/67/946488367.db2.gz SIWUXYPZAXRAII-ABAIWWIYSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823832671 946488373 /nfs/dbraw/zinc/48/83/73/946488373.db2.gz SIWUXYPZAXRAII-ABAIWWIYSA-N -1 3 396.314 3.096 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823942678 946524598 /nfs/dbraw/zinc/52/45/98/946524598.db2.gz HEVADTNNIPFEJP-OKFGHLOFSA-N -1 3 391.431 3.149 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823942678 946524602 /nfs/dbraw/zinc/52/46/02/946524602.db2.gz HEVADTNNIPFEJP-OKFGHLOFSA-N -1 3 391.431 3.149 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC(COc3ccccc3)CC2)c1 ZINC000824014499 946549638 /nfs/dbraw/zinc/54/96/38/946549638.db2.gz JWOUPSYKWCMYJZ-UHFFFAOYSA-N -1 3 377.448 3.365 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC(COc3ccccc3)CC2)c1 ZINC000824014499 946549652 /nfs/dbraw/zinc/54/96/52/946549652.db2.gz JWOUPSYKWCMYJZ-UHFFFAOYSA-N -1 3 377.448 3.365 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC(OCc3ccccc3)CC2)c1 ZINC000824015180 946553067 /nfs/dbraw/zinc/55/30/67/946553067.db2.gz RSGHRCABGWCYHR-UHFFFAOYSA-N -1 3 377.448 3.255 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC(OCc3ccccc3)CC2)c1 ZINC000824015180 946553076 /nfs/dbraw/zinc/55/30/76/946553076.db2.gz RSGHRCABGWCYHR-UHFFFAOYSA-N -1 3 377.448 3.255 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000824071855 946575677 /nfs/dbraw/zinc/57/56/77/946575677.db2.gz OZVWBCBKMCDZHA-KGLIPLIRSA-N -1 3 389.504 3.138 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000824071855 946575681 /nfs/dbraw/zinc/57/56/81/946575681.db2.gz OZVWBCBKMCDZHA-KGLIPLIRSA-N -1 3 389.504 3.138 20 0 GGADHM CC(C)(C)CCNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824085534 946580286 /nfs/dbraw/zinc/58/02/86/946580286.db2.gz FSXMHHZCSCANRZ-UHFFFAOYSA-N -1 3 388.863 3.264 20 0 GGADHM CC(C)(C)c1n[nH]cc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824136382 946599264 /nfs/dbraw/zinc/59/92/64/946599264.db2.gz OUNGEUJICZJKCA-UHFFFAOYSA-N -1 3 397.874 3.339 20 0 GGADHM CC(C)(C)c1n[nH]cc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824136382 946599277 /nfs/dbraw/zinc/59/92/77/946599277.db2.gz OUNGEUJICZJKCA-UHFFFAOYSA-N -1 3 397.874 3.339 20 0 GGADHM CC(C)(NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C1CC1 ZINC000824165929 946606429 /nfs/dbraw/zinc/60/64/29/946606429.db2.gz CVPWGDOKUGYWCA-UHFFFAOYSA-N -1 3 386.847 3.016 20 0 GGADHM CC(C)(NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C1CC1 ZINC000824165929 946606440 /nfs/dbraw/zinc/60/64/40/946606440.db2.gz CVPWGDOKUGYWCA-UHFFFAOYSA-N -1 3 386.847 3.016 20 0 GGADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824190884 946612597 /nfs/dbraw/zinc/61/25/97/946612597.db2.gz AQKHRJIIUGDHMO-NSHDSACASA-N -1 3 388.863 3.214 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824225789 946625193 /nfs/dbraw/zinc/62/51/93/946625193.db2.gz VVZZUMRXMAGRNB-LJQANCHMSA-N -1 3 377.448 3.316 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000824225789 946625201 /nfs/dbraw/zinc/62/52/01/946625201.db2.gz VVZZUMRXMAGRNB-LJQANCHMSA-N -1 3 377.448 3.316 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccccc3)C2)c1 ZINC001573278883 946626839 /nfs/dbraw/zinc/62/68/39/946626839.db2.gz AEKAYYXCLMKECI-MRXNPFEDSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccccc3)C2)c1 ZINC001573278883 946626846 /nfs/dbraw/zinc/62/68/46/946626846.db2.gz AEKAYYXCLMKECI-MRXNPFEDSA-N -1 3 386.253 3.207 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2cc[nH]c2n1 ZINC000824255841 946635051 /nfs/dbraw/zinc/63/50/51/946635051.db2.gz ZZPLQLNIRDZEPQ-UHFFFAOYSA-N -1 3 375.436 3.041 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2cc[nH]c2n1 ZINC000824255841 946635060 /nfs/dbraw/zinc/63/50/60/946635060.db2.gz ZZPLQLNIRDZEPQ-UHFFFAOYSA-N -1 3 375.436 3.041 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2nsnc2c1 ZINC000824255694 946635083 /nfs/dbraw/zinc/63/50/83/946635083.db2.gz UFAKNWWRBXEZIZ-UHFFFAOYSA-N -1 3 393.476 3.170 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2nsnc2c1 ZINC000824255694 946635090 /nfs/dbraw/zinc/63/50/90/946635090.db2.gz UFAKNWWRBXEZIZ-UHFFFAOYSA-N -1 3 393.476 3.170 20 0 GGADHM Brc1cnc(NCC2(Cc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC001573279430 946639836 /nfs/dbraw/zinc/63/98/36/946639836.db2.gz GYECZYVKSOCOGS-UHFFFAOYSA-N -1 3 385.269 3.459 20 0 GGADHM Brc1cnc(NCC2(Cc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC001573279430 946639842 /nfs/dbraw/zinc/63/98/42/946639842.db2.gz GYECZYVKSOCOGS-UHFFFAOYSA-N -1 3 385.269 3.459 20 0 GGADHM CC(C)COC[C@@H](O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000824271061 946642269 /nfs/dbraw/zinc/64/22/69/946642269.db2.gz KONNLXQWVUAODG-OAHLLOKOSA-N -1 3 385.493 3.054 20 0 GGADHM CC(C)COC[C@@H](O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000824271061 946642274 /nfs/dbraw/zinc/64/22/74/946642274.db2.gz KONNLXQWVUAODG-OAHLLOKOSA-N -1 3 385.493 3.054 20 0 GGADHM Brc1cnc(N[C@H]2CCCOc3ccccc32)cc1-c1nnn[n-]1 ZINC001573279527 946643980 /nfs/dbraw/zinc/64/39/80/946643980.db2.gz IPTNKWSFZYMVNK-ZDUSSCGKSA-N -1 3 387.241 3.350 20 0 GGADHM Brc1cnc(N[C@H]2CCCOc3ccccc32)cc1-c1nn[n-]n1 ZINC001573279527 946643990 /nfs/dbraw/zinc/64/39/90/946643990.db2.gz IPTNKWSFZYMVNK-ZDUSSCGKSA-N -1 3 387.241 3.350 20 0 GGADHM Brc1cnc(N[C@@H]2CCCOc3ccccc32)cc1-c1nnn[n-]1 ZINC001573279525 946644357 /nfs/dbraw/zinc/64/43/57/946644357.db2.gz IPTNKWSFZYMVNK-CYBMUJFWSA-N -1 3 387.241 3.350 20 0 GGADHM Brc1cnc(N[C@@H]2CCCOc3ccccc32)cc1-c1nn[n-]n1 ZINC001573279525 946644362 /nfs/dbraw/zinc/64/43/62/946644362.db2.gz IPTNKWSFZYMVNK-CYBMUJFWSA-N -1 3 387.241 3.350 20 0 GGADHM CC(C)N(Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293617 946646140 /nfs/dbraw/zinc/64/61/40/946646140.db2.gz UIOHTGGJVMOWSW-UHFFFAOYSA-N -1 3 378.484 3.081 20 0 GGADHM CC(C)N(Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293617 946646144 /nfs/dbraw/zinc/64/61/44/946646144.db2.gz UIOHTGGJVMOWSW-UHFFFAOYSA-N -1 3 378.484 3.081 20 0 GGADHM BrC1=CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001573279604 946646055 /nfs/dbraw/zinc/64/60/55/946646055.db2.gz KGBNNNWKKPJCBU-UHFFFAOYSA-N -1 3 385.063 3.118 20 0 GGADHM BrC1=CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001573279604 946646062 /nfs/dbraw/zinc/64/60/62/946646062.db2.gz KGBNNNWKKPJCBU-UHFFFAOYSA-N -1 3 385.063 3.118 20 0 GGADHM Brc1cc(-c2nnn[n-]2)cnc1SCc1ccc2c(c1)OCO2 ZINC001573280218 946657361 /nfs/dbraw/zinc/65/73/61/946657361.db2.gz QXTJGTWAGCBDCY-UHFFFAOYSA-N -1 3 392.238 3.045 20 0 GGADHM Brc1cc(-c2nn[n-]n2)cnc1SCc1ccc2c(c1)OCO2 ZINC001573280218 946657369 /nfs/dbraw/zinc/65/73/69/946657369.db2.gz QXTJGTWAGCBDCY-UHFFFAOYSA-N -1 3 392.238 3.045 20 0 GGADHM CC(C)c1cc(Br)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824342012 946665491 /nfs/dbraw/zinc/66/54/91/946665491.db2.gz IHEOIGPWWQJXDE-UHFFFAOYSA-N -1 3 375.230 3.333 20 0 GGADHM CC(C)c1cc(Br)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824342012 946665494 /nfs/dbraw/zinc/66/54/94/946665494.db2.gz IHEOIGPWWQJXDE-UHFFFAOYSA-N -1 3 375.230 3.333 20 0 GGADHM CC(C)c1ocnc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824371611 946673503 /nfs/dbraw/zinc/67/35/03/946673503.db2.gz LPDOQVWNITVFDX-UHFFFAOYSA-N -1 3 398.814 3.070 20 0 GGADHM CC(C)c1ocnc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824371611 946673510 /nfs/dbraw/zinc/67/35/10/946673510.db2.gz LPDOQVWNITVFDX-UHFFFAOYSA-N -1 3 398.814 3.070 20 0 GGADHM C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824385073 946674874 /nfs/dbraw/zinc/67/48/74/946674874.db2.gz LBNUCICNFZVSPW-ZDUSSCGKSA-N -1 3 384.871 3.369 20 0 GGADHM C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824385073 946674900 /nfs/dbraw/zinc/67/49/00/946674900.db2.gz LBNUCICNFZVSPW-ZDUSSCGKSA-N -1 3 384.871 3.369 20 0 GGADHM C[C@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000824385666 946678132 /nfs/dbraw/zinc/67/81/32/946678132.db2.gz YSGKDSPCTNHKGN-GFCCVEGCSA-N -1 3 399.838 3.196 20 0 GGADHM C[C@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000824385666 946678137 /nfs/dbraw/zinc/67/81/37/946678137.db2.gz YSGKDSPCTNHKGN-GFCCVEGCSA-N -1 3 399.838 3.196 20 0 GGADHM C[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824472376 946725301 /nfs/dbraw/zinc/72/53/01/946725301.db2.gz VLFKNHYDEOOWKW-RFAUZJTJSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824472376 946725310 /nfs/dbraw/zinc/72/53/10/946725310.db2.gz VLFKNHYDEOOWKW-RFAUZJTJSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@@H](NC(=O)N[C@H](C)C(C)(C)O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824491206 946739763 /nfs/dbraw/zinc/73/97/63/946739763.db2.gz SJZYQWIFDUIPEC-ZIAGYGMSSA-N -1 3 394.479 3.053 20 0 GGADHM C[C@@H](NC(=O)N[C@H](C)C(C)(C)O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824491206 946739771 /nfs/dbraw/zinc/73/97/71/946739771.db2.gz SJZYQWIFDUIPEC-ZIAGYGMSSA-N -1 3 394.479 3.053 20 0 GGADHM C[C@@H](NC(=O)N[C@]1(C)CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500204 946747687 /nfs/dbraw/zinc/74/76/87/946747687.db2.gz VAHYCVAMSQPPTH-SPLOXXLWSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@@H](NC(=O)N[C@]1(C)CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500204 946747694 /nfs/dbraw/zinc/74/76/94/946747694.db2.gz VAHYCVAMSQPPTH-SPLOXXLWSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@@H](NC(=O)Nc1cccnn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824506281 946751908 /nfs/dbraw/zinc/75/19/08/946751908.db2.gz NFNJUACYSCGDRN-CYBMUJFWSA-N -1 3 386.419 3.206 20 0 GGADHM C[C@@H](NC(=O)Nc1cccnn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824506281 946751918 /nfs/dbraw/zinc/75/19/18/946751918.db2.gz NFNJUACYSCGDRN-CYBMUJFWSA-N -1 3 386.419 3.206 20 0 GGADHM CC(=O)Nc1cc(Cl)c(NC(=O)c2sccc2-c2nnn[n-]2)c(Cl)c1 ZINC001573542375 946797469 /nfs/dbraw/zinc/79/74/69/946797469.db2.gz IPDGEVAMAPPNGB-UHFFFAOYSA-N -1 3 397.247 3.446 20 0 GGADHM CC(=O)Nc1cc(Cl)c(NC(=O)c2sccc2-c2nn[n-]n2)c(Cl)c1 ZINC001573542375 946797477 /nfs/dbraw/zinc/79/74/77/946797477.db2.gz IPDGEVAMAPPNGB-UHFFFAOYSA-N -1 3 397.247 3.446 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)cc1Cl ZINC001573546745 946817788 /nfs/dbraw/zinc/81/77/88/946817788.db2.gz PDEQTBIZQWQMFJ-UHFFFAOYSA-N -1 3 395.810 3.212 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)cc1Cl ZINC001573546745 946817801 /nfs/dbraw/zinc/81/78/01/946817801.db2.gz PDEQTBIZQWQMFJ-UHFFFAOYSA-N -1 3 395.810 3.212 20 0 GGADHM CC(=O)Nc1ccc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001573546980 946822521 /nfs/dbraw/zinc/82/25/21/946822521.db2.gz DJKSTHTTWDUZKN-UHFFFAOYSA-N -1 3 398.854 3.144 20 0 GGADHM CC(=O)Nc1ccc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001573546980 946822545 /nfs/dbraw/zinc/82/25/45/946822545.db2.gz DJKSTHTTWDUZKN-UHFFFAOYSA-N -1 3 398.854 3.144 20 0 GGADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1cncc(F)c1 ZINC000824613617 946863827 /nfs/dbraw/zinc/86/38/27/946863827.db2.gz VVALDEYAJTYOGT-VIFPVBQESA-N -1 3 377.221 3.014 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC001573551178 946867996 /nfs/dbraw/zinc/86/79/96/946867996.db2.gz HCKMLUSXKUSURZ-AWEZNQCLSA-N -1 3 381.823 3.391 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC001573551178 946868012 /nfs/dbraw/zinc/86/80/12/946868012.db2.gz HCKMLUSXKUSURZ-AWEZNQCLSA-N -1 3 381.823 3.391 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001573551182 946868738 /nfs/dbraw/zinc/86/87/38/946868738.db2.gz HCKMLUSXKUSURZ-CQSZACIVSA-N -1 3 381.823 3.391 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001573551182 946868751 /nfs/dbraw/zinc/86/87/51/946868751.db2.gz HCKMLUSXKUSURZ-CQSZACIVSA-N -1 3 381.823 3.391 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC001573552444 946873898 /nfs/dbraw/zinc/87/38/98/946873898.db2.gz PFZXQMNJSOVBHW-CQSZACIVSA-N -1 3 379.445 3.287 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC001573552444 946873910 /nfs/dbraw/zinc/87/39/10/946873910.db2.gz PFZXQMNJSOVBHW-CQSZACIVSA-N -1 3 379.445 3.287 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCOc1cccc(F)c1 ZINC001573552306 946874000 /nfs/dbraw/zinc/87/40/00/946874000.db2.gz NSINZLSRBHCFBK-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCOc1cccc(F)c1 ZINC001573552306 946874013 /nfs/dbraw/zinc/87/40/13/946874013.db2.gz NSINZLSRBHCFBK-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM C[C@@H](NS(=O)(=O)CCC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824632767 946874704 /nfs/dbraw/zinc/87/47/04/946874704.db2.gz DGRJQWHMEVRIPX-CQSZACIVSA-N -1 3 397.504 3.314 20 0 GGADHM C[C@@H](NS(=O)(=O)CCC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824632767 946874719 /nfs/dbraw/zinc/87/47/19/946874719.db2.gz DGRJQWHMEVRIPX-CQSZACIVSA-N -1 3 397.504 3.314 20 0 GGADHM CC(=O)Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc12 ZINC001573552960 946882410 /nfs/dbraw/zinc/88/24/10/946882410.db2.gz UTZNKDONHJFBDF-UHFFFAOYSA-N -1 3 379.401 3.259 20 0 GGADHM CC(=O)Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc12 ZINC001573552960 946882419 /nfs/dbraw/zinc/88/24/19/946882419.db2.gz UTZNKDONHJFBDF-UHFFFAOYSA-N -1 3 379.401 3.259 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CSc1ccc(F)c(F)c1 ZINC001573553150 946884922 /nfs/dbraw/zinc/88/49/22/946884922.db2.gz VXYQKBQMSMDRFR-UHFFFAOYSA-N -1 3 389.387 3.078 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CSc1ccc(F)c(F)c1 ZINC001573553150 946884932 /nfs/dbraw/zinc/88/49/32/946884932.db2.gz VXYQKBQMSMDRFR-UHFFFAOYSA-N -1 3 389.387 3.078 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC001573553210 946888686 /nfs/dbraw/zinc/88/86/86/946888686.db2.gz XPBRMMSNIZADIG-KRWDZBQOSA-N -1 3 379.445 3.033 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC001573553210 946888694 /nfs/dbraw/zinc/88/86/94/946888694.db2.gz XPBRMMSNIZADIG-KRWDZBQOSA-N -1 3 379.445 3.033 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(Br)cc1 ZINC001573554357 946897272 /nfs/dbraw/zinc/89/72/72/946897272.db2.gz RFLUNLFDPUEINH-UHFFFAOYSA-N -1 3 386.209 3.084 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(Br)cc1 ZINC001573554357 946897282 /nfs/dbraw/zinc/89/72/82/946897282.db2.gz RFLUNLFDPUEINH-UHFFFAOYSA-N -1 3 386.209 3.084 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1nsc2ccc(C)cc21 ZINC001573554552 946901749 /nfs/dbraw/zinc/90/17/49/946901749.db2.gz XGMGSWPYMLKJGQ-UHFFFAOYSA-N -1 3 378.417 3.240 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1nsc2ccc(C)cc21 ZINC001573554552 946901755 /nfs/dbraw/zinc/90/17/55/946901755.db2.gz XGMGSWPYMLKJGQ-UHFFFAOYSA-N -1 3 378.417 3.240 20 0 GGADHM CC(=O)c1cc(F)c(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c(F)c1F ZINC001573554557 946901925 /nfs/dbraw/zinc/90/19/25/946901925.db2.gz XKKDXZSPSBJMTQ-UHFFFAOYSA-N -1 3 389.337 3.356 20 0 GGADHM CC(=O)c1cc(F)c(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c(F)c1F ZINC001573554557 946901931 /nfs/dbraw/zinc/90/19/31/946901931.db2.gz XKKDXZSPSBJMTQ-UHFFFAOYSA-N -1 3 389.337 3.356 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccsc1Br ZINC001573554573 946901942 /nfs/dbraw/zinc/90/19/42/946901942.db2.gz XSWSARPZANCTPY-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccsc1Br ZINC001573554573 946901947 /nfs/dbraw/zinc/90/19/47/946901947.db2.gz XSWSARPZANCTPY-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)c1 ZINC001573555206 946907526 /nfs/dbraw/zinc/90/75/26/946907526.db2.gz GDALIVIVYGDFHG-UHFFFAOYSA-N -1 3 398.348 3.069 20 0 GGADHM CC(=O)c1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)c1 ZINC001573555206 946907544 /nfs/dbraw/zinc/90/75/44/946907544.db2.gz GDALIVIVYGDFHG-UHFFFAOYSA-N -1 3 398.348 3.069 20 0 GGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1OC(F)F ZINC000824716577 946909248 /nfs/dbraw/zinc/90/92/48/946909248.db2.gz YJAGZPYIILWBHD-SSDOTTSWSA-N -1 3 383.742 3.368 20 0 GGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1OC(F)F ZINC000824716577 946909250 /nfs/dbraw/zinc/90/92/50/946909250.db2.gz YJAGZPYIILWBHD-SSDOTTSWSA-N -1 3 383.742 3.368 20 0 GGADHM CC(=O)c1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2-c2nnn[n-]2)c1 ZINC001573555930 946919189 /nfs/dbraw/zinc/91/91/89/946919189.db2.gz USJQPECPZXEDIL-UHFFFAOYSA-N -1 3 391.309 3.220 20 0 GGADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1coc(-c2cccc(F)c2)n1 ZINC001573556145 946924178 /nfs/dbraw/zinc/92/41/78/946924178.db2.gz YDJHLBHJSXYWLM-UHFFFAOYSA-N -1 3 379.351 3.442 20 0 GGADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1coc(-c2cccc(F)c2)n1 ZINC001573556145 946924183 /nfs/dbraw/zinc/92/41/83/946924183.db2.gz YDJHLBHJSXYWLM-UHFFFAOYSA-N -1 3 379.351 3.442 20 0 GGADHM CC(=O)c1ccc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2)s1 ZINC001573556262 946924334 /nfs/dbraw/zinc/92/43/34/946924334.db2.gz NFVZKMQTNWHRPR-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1ccc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)c2)s1 ZINC001573556262 946924340 /nfs/dbraw/zinc/92/43/40/946924340.db2.gz NFVZKMQTNWHRPR-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001573556849 946930847 /nfs/dbraw/zinc/93/08/47/946930847.db2.gz WQHVYBAGTWDUBV-LLVKDONJSA-N -1 3 386.795 3.096 20 0 GGADHM C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824898122 946978057 /nfs/dbraw/zinc/97/80/57/946978057.db2.gz DDEQBNPFVGZZEG-LPMFXHHGSA-N -1 3 377.448 3.278 20 0 GGADHM C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824898122 946978063 /nfs/dbraw/zinc/97/80/63/946978063.db2.gz DDEQBNPFVGZZEG-LPMFXHHGSA-N -1 3 377.448 3.278 20 0 GGADHM CC1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000824945818 947000886 /nfs/dbraw/zinc/00/08/86/947000886.db2.gz GJFXKZWEIJGBGS-UHFFFAOYSA-N -1 3 385.415 3.236 20 0 GGADHM CC1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000824945818 947000896 /nfs/dbraw/zinc/00/08/96/947000896.db2.gz GJFXKZWEIJGBGS-UHFFFAOYSA-N -1 3 385.415 3.236 20 0 GGADHM C[C@@H](NC(=O)N1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824967988 947010586 /nfs/dbraw/zinc/01/05/86/947010586.db2.gz OJSXGPNGPFLSOZ-HUUCEWRRSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@@H](NC(=O)N1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824967988 947010601 /nfs/dbraw/zinc/01/06/01/947010601.db2.gz OJSXGPNGPFLSOZ-HUUCEWRRSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825006234 947040593 /nfs/dbraw/zinc/04/05/93/947040593.db2.gz GVNTYESSEZGPDC-LLVKDONJSA-N -1 3 384.827 3.335 20 0 GGADHM C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825006234 947040607 /nfs/dbraw/zinc/04/06/07/947040607.db2.gz GVNTYESSEZGPDC-LLVKDONJSA-N -1 3 384.827 3.335 20 0 GGADHM CC[C@H](C)[C@H](O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825059871 947061428 /nfs/dbraw/zinc/06/14/28/947061428.db2.gz LNTYLGXFIZIMIW-KSMMKXTCSA-N -1 3 379.464 3.118 20 0 GGADHM CC[C@H](C)[C@H](O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825059871 947061438 /nfs/dbraw/zinc/06/14/38/947061438.db2.gz LNTYLGXFIZIMIW-KSMMKXTCSA-N -1 3 379.464 3.118 20 0 GGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825060736 947062350 /nfs/dbraw/zinc/06/23/50/947062350.db2.gz RURFMSZTQWIWHF-WDEREUQCSA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825060736 947062358 /nfs/dbraw/zinc/06/23/58/947062358.db2.gz RURFMSZTQWIWHF-WDEREUQCSA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825060113 947062845 /nfs/dbraw/zinc/06/28/45/947062845.db2.gz NLKSZCAUEAREIX-WDEREUQCSA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000825153829 947102653 /nfs/dbraw/zinc/10/26/53/947102653.db2.gz KJWMQURIPTVHAB-ZDUSSCGKSA-N -1 3 376.214 3.265 20 0 GGADHM CC[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000825153829 947102659 /nfs/dbraw/zinc/10/26/59/947102659.db2.gz KJWMQURIPTVHAB-ZDUSSCGKSA-N -1 3 376.214 3.265 20 0 GGADHM CC[C@H](O)CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825152508 947103221 /nfs/dbraw/zinc/10/32/21/947103221.db2.gz AKTVGTAIXHRFRN-LIRRHRJNSA-N -1 3 394.479 3.055 20 0 GGADHM CC[C@H](O)CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825152508 947103223 /nfs/dbraw/zinc/10/32/23/947103223.db2.gz AKTVGTAIXHRFRN-LIRRHRJNSA-N -1 3 394.479 3.055 20 0 GGADHM CC[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825202370 947116011 /nfs/dbraw/zinc/11/60/11/947116011.db2.gz JTIAYQFGWDXSRC-GFCCVEGCSA-N -1 3 386.847 3.112 20 0 GGADHM CCCCOCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825291098 947146138 /nfs/dbraw/zinc/14/61/38/947146138.db2.gz MELHIGMKKCYDTE-UHFFFAOYSA-N -1 3 387.484 3.258 20 0 GGADHM CCN(CC(C)C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825399319 947174910 /nfs/dbraw/zinc/17/49/10/947174910.db2.gz PPAFPUYKGKPFON-UHFFFAOYSA-N -1 3 388.863 3.216 20 0 GGADHM CCNc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825480624 947201423 /nfs/dbraw/zinc/20/14/23/947201423.db2.gz DDIQRCQRFYKVDT-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM CCNc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825480624 947201429 /nfs/dbraw/zinc/20/14/29/947201429.db2.gz DDIQRCQRFYKVDT-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM CCOC(=O)Nc1ccc(N[C@H](C)Cc2ccn(C(C)C)n2)cc1-c1nnn[n-]1 ZINC000825544548 947217354 /nfs/dbraw/zinc/21/73/54/947217354.db2.gz BNGZWPYMLLSKHU-CYBMUJFWSA-N -1 3 398.471 3.256 20 0 GGADHM CCOC(=O)Nc1ccc(N[C@H](C)Cc2ccn(C(C)C)n2)cc1-c1nn[n-]n1 ZINC000825544548 947217366 /nfs/dbraw/zinc/21/73/66/947217366.db2.gz BNGZWPYMLLSKHU-CYBMUJFWSA-N -1 3 398.471 3.256 20 0 GGADHM C=C/C=C/CCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573314304 947229520 /nfs/dbraw/zinc/22/95/20/947229520.db2.gz AEFVCZMITVOCKU-ONEGZZNKSA-N -1 3 375.432 3.308 20 0 GGADHM C=C/C=C/CCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573314304 947229529 /nfs/dbraw/zinc/22/95/29/947229529.db2.gz AEFVCZMITVOCKU-ONEGZZNKSA-N -1 3 375.432 3.308 20 0 GGADHM CCOC(=O)c1cnn(CCCOc2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000825570973 947233230 /nfs/dbraw/zinc/23/32/30/947233230.db2.gz QBVGUAOXSPUAQS-UHFFFAOYSA-N -1 3 398.467 3.007 20 0 GGADHM C=C/C=C/CCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573314770 947238947 /nfs/dbraw/zinc/23/89/47/947238947.db2.gz GUBHLXDYTNVNLQ-ONEGZZNKSA-N -1 3 375.432 3.308 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1c(C)noc1C1CC1 ZINC000825608675 947253338 /nfs/dbraw/zinc/25/33/38/947253338.db2.gz BSIZEYJSXIMTES-UHFFFAOYSA-N -1 3 389.799 3.312 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1c(C)noc1C1CC1 ZINC000825608675 947253348 /nfs/dbraw/zinc/25/33/48/947253348.db2.gz BSIZEYJSXIMTES-UHFFFAOYSA-N -1 3 389.799 3.312 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@H]1CCC[C@H]1C ZINC000825605211 947253552 /nfs/dbraw/zinc/25/35/52/947253552.db2.gz RQOSISLUVDGDJY-KOLCDFICSA-N -1 3 395.257 3.370 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@H]1CCC[C@H]1C ZINC000825605211 947253561 /nfs/dbraw/zinc/25/35/61/947253561.db2.gz RQOSISLUVDGDJY-KOLCDFICSA-N -1 3 395.257 3.370 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1cnccc1C ZINC000825605246 947254155 /nfs/dbraw/zinc/25/41/55/947254155.db2.gz RZVLNWKSLOXMJL-PLNGDYQASA-N -1 3 385.811 3.241 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1cnccc1C ZINC000825605246 947254164 /nfs/dbraw/zinc/25/41/64/947254164.db2.gz RZVLNWKSLOXMJL-PLNGDYQASA-N -1 3 385.811 3.241 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@@H]1CC[C@H](C)C1 ZINC000825604415 947254539 /nfs/dbraw/zinc/25/45/39/947254539.db2.gz IVLTVWRKRUIRPN-VHSXEESVSA-N -1 3 395.257 3.370 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@@H]1CC[C@H](C)C1 ZINC000825604415 947254552 /nfs/dbraw/zinc/25/45/52/947254552.db2.gz IVLTVWRKRUIRPN-VHSXEESVSA-N -1 3 395.257 3.370 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000825971443 947388080 /nfs/dbraw/zinc/38/80/80/947388080.db2.gz GPYQWRZFPAXTPS-UHFFFAOYSA-N -1 3 394.822 3.447 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000825971443 947388093 /nfs/dbraw/zinc/38/80/93/947388093.db2.gz GPYQWRZFPAXTPS-UHFFFAOYSA-N -1 3 394.822 3.447 20 0 GGADHM CN(Cc1cccc(OC(F)(F)F)c1)c1nc2ccccn2c1-c1nnn[n-]1 ZINC000825981825 947397181 /nfs/dbraw/zinc/39/71/81/947397181.db2.gz YSZMVNWKFILJLZ-UHFFFAOYSA-N -1 3 389.341 3.049 20 0 GGADHM CN(Cc1cccc(OC(F)(F)F)c1)c1nc2ccccn2c1-c1nn[n-]n1 ZINC000825981825 947397199 /nfs/dbraw/zinc/39/71/99/947397199.db2.gz YSZMVNWKFILJLZ-UHFFFAOYSA-N -1 3 389.341 3.049 20 0 GGADHM COC(=O)[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000826111367 947431772 /nfs/dbraw/zinc/43/17/72/947431772.db2.gz DGTHVVCSLVALCB-LJQANCHMSA-N -1 3 391.406 3.163 20 0 GGADHM COC(=O)[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000826111367 947431782 /nfs/dbraw/zinc/43/17/82/947431782.db2.gz DGTHVVCSLVALCB-LJQANCHMSA-N -1 3 391.406 3.163 20 0 GGADHM COC(=O)[C@H](N[C@@H](c1ccccc1C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111661 947433067 /nfs/dbraw/zinc/43/30/67/947433067.db2.gz JLOVQGYTXIOKOK-RTBURBONSA-N -1 3 377.448 3.130 20 0 GGADHM COC(=O)[C@H](N[C@@H](c1ccccc1C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111661 947433078 /nfs/dbraw/zinc/43/30/78/947433078.db2.gz JLOVQGYTXIOKOK-RTBURBONSA-N -1 3 377.448 3.130 20 0 GGADHM COC(=O)[C@@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117539 947437610 /nfs/dbraw/zinc/43/76/10/947437610.db2.gz MZYWGUICQLROBB-BJRSVTDJSA-N -1 3 392.415 3.036 20 0 GGADHM COC(=O)[C@@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117539 947437621 /nfs/dbraw/zinc/43/76/21/947437621.db2.gz MZYWGUICQLROBB-BJRSVTDJSA-N -1 3 392.415 3.036 20 0 GGADHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1(C)C ZINC000826144601 947458153 /nfs/dbraw/zinc/45/81/53/947458153.db2.gz NDPZMTUKQQHHSX-UPRAQXHNSA-N -1 3 391.475 3.323 20 0 GGADHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1(C)C ZINC000826144601 947458157 /nfs/dbraw/zinc/45/81/57/947458157.db2.gz NDPZMTUKQQHHSX-UPRAQXHNSA-N -1 3 391.475 3.323 20 0 GGADHM CO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826147069 947471837 /nfs/dbraw/zinc/47/18/37/947471837.db2.gz MTKLUAFASMRAHK-SNVBAGLBSA-N -1 3 376.823 3.213 20 0 GGADHM CO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826147069 947471842 /nfs/dbraw/zinc/47/18/42/947471842.db2.gz MTKLUAFASMRAHK-SNVBAGLBSA-N -1 3 376.823 3.213 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1nc2ccccc2o1 ZINC000826162008 947509845 /nfs/dbraw/zinc/50/98/45/947509845.db2.gz JIKJRYYPFYKNSP-LBPRGKRZSA-N -1 3 380.408 3.206 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1nc2ccccc2o1 ZINC000826162008 947509857 /nfs/dbraw/zinc/50/98/57/947509857.db2.gz JIKJRYYPFYKNSP-LBPRGKRZSA-N -1 3 380.408 3.206 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826172021 947537697 /nfs/dbraw/zinc/53/76/97/947537697.db2.gz JLCVJKIIHOINBN-UHFFFAOYSA-N -1 3 396.451 3.242 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826172021 947537706 /nfs/dbraw/zinc/53/77/06/947537706.db2.gz JLCVJKIIHOINBN-UHFFFAOYSA-N -1 3 396.451 3.242 20 0 GGADHM COc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1O ZINC000826216594 947636655 /nfs/dbraw/zinc/63/66/55/947636655.db2.gz GDOXSYCYKQOBAB-UHFFFAOYSA-N -1 3 380.191 3.140 20 0 GGADHM COc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1O ZINC000826216594 947636660 /nfs/dbraw/zinc/63/66/60/947636660.db2.gz GDOXSYCYKQOBAB-UHFFFAOYSA-N -1 3 380.191 3.140 20 0 GGADHM CSCC[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nnc2ccccn21 ZINC000826228515 947669984 /nfs/dbraw/zinc/66/99/84/947669984.db2.gz REPCCAUSHSOQAC-CZUORRHYSA-N -1 3 394.508 3.054 20 0 GGADHM CSCCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826229320 947671532 /nfs/dbraw/zinc/67/15/32/947671532.db2.gz ZSIOMWJUWZGEMV-UHFFFAOYSA-N -1 3 382.493 3.086 20 0 GGADHM CSCCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826229320 947671538 /nfs/dbraw/zinc/67/15/38/947671538.db2.gz ZSIOMWJUWZGEMV-UHFFFAOYSA-N -1 3 382.493 3.086 20 0 GGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000826232060 947678953 /nfs/dbraw/zinc/67/89/53/947678953.db2.gz ILBKGZDTQSHMCT-SSDOTTSWSA-N -1 3 380.177 3.014 20 0 GGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000826232060 947678960 /nfs/dbraw/zinc/67/89/60/947678960.db2.gz ILBKGZDTQSHMCT-SSDOTTSWSA-N -1 3 380.177 3.014 20 0 GGADHM C=Cc1ccc(CCNC(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC001573359503 947687534 /nfs/dbraw/zinc/68/75/34/947687534.db2.gz WOSBQNRBPYKXCG-UHFFFAOYSA-N -1 3 388.475 3.431 20 0 GGADHM C=Cc1ccc(CCNC(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC001573359503 947687539 /nfs/dbraw/zinc/68/75/39/947687539.db2.gz WOSBQNRBPYKXCG-UHFFFAOYSA-N -1 3 388.475 3.431 20 0 GGADHM CC(=CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)c1cnccn1 ZINC001573362038 947699218 /nfs/dbraw/zinc/69/92/18/947699218.db2.gz HPJUSZFVDJAPOX-KAMYIIQDSA-N -1 3 399.414 3.491 20 0 GGADHM CC(=CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)c1cnccn1 ZINC001573362038 947699223 /nfs/dbraw/zinc/69/92/23/947699223.db2.gz HPJUSZFVDJAPOX-KAMYIIQDSA-N -1 3 399.414 3.491 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001573364955 947726252 /nfs/dbraw/zinc/72/62/52/947726252.db2.gz KONKPQIMPSMOHT-CSKARUKUSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001573364955 947726261 /nfs/dbraw/zinc/72/62/61/947726261.db2.gz KONKPQIMPSMOHT-CSKARUKUSA-N -1 3 385.225 3.066 20 0 GGADHM C/C(=C\C1CCC(C)CC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001573365022 947728084 /nfs/dbraw/zinc/72/80/84/947728084.db2.gz KUYZHBWZXMCALT-BMRADRMJSA-N -1 3 394.523 3.288 20 0 GGADHM C/C(=C\C1CCC(C)CC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001573365022 947728099 /nfs/dbraw/zinc/72/80/99/947728099.db2.gz KUYZHBWZXMCALT-BMRADRMJSA-N -1 3 394.523 3.288 20 0 GGADHM Cc1noc(C)c1C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826254592 947733150 /nfs/dbraw/zinc/73/31/50/947733150.db2.gz SLQARVGWHBNJFM-UHFFFAOYSA-N -1 3 396.451 3.360 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)Cc2ccco2)CC1 ZINC000826254414 947733303 /nfs/dbraw/zinc/73/33/03/947733303.db2.gz JXNRHPHLHXWWSV-UHFFFAOYSA-N -1 3 381.436 3.277 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@@H]2CCSC2)CC1 ZINC000826254323 947733844 /nfs/dbraw/zinc/73/38/44/947733844.db2.gz GEAILWZBCBINHT-QQFBHYJXSA-N -1 3 387.509 3.195 20 0 GGADHM CC(=Cc1ccco1)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001573366400 947740958 /nfs/dbraw/zinc/74/09/58/947740958.db2.gz PTCIYPJEWRMMDS-LUAWRHEFSA-N -1 3 395.810 3.341 20 0 GGADHM CC(=Cc1ccco1)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001573366400 947740966 /nfs/dbraw/zinc/74/09/66/947740966.db2.gz PTCIYPJEWRMMDS-LUAWRHEFSA-N -1 3 395.810 3.341 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573366852 947748342 /nfs/dbraw/zinc/74/83/42/947748342.db2.gz UJUVMBIYFSZGQC-PLWJUESGSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=Cc1ccco1)C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573366852 947748349 /nfs/dbraw/zinc/74/83/49/947748349.db2.gz UJUVMBIYFSZGQC-PLWJUESGSA-N -1 3 377.326 3.283 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cc(=O)[nH]1 ZINC000826260295 947753301 /nfs/dbraw/zinc/75/33/01/947753301.db2.gz GUOSDCCBSHNAOC-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cc(=O)[nH]1 ZINC000826260295 947753309 /nfs/dbraw/zinc/75/33/09/947753309.db2.gz GUOSDCCBSHNAOC-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)nn1-c1ccccc1Cl ZINC000826260783 947754193 /nfs/dbraw/zinc/75/41/93/947754193.db2.gz DPZGOTXWRYZVSL-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)nn1-c1ccccc1Cl ZINC000826260783 947754199 /nfs/dbraw/zinc/75/41/99/947754199.db2.gz DPZGOTXWRYZVSL-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM CC(=Cc1ccc(Br)o1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001573367155 947754350 /nfs/dbraw/zinc/75/43/50/947754350.db2.gz YFQCSNZENWAQAQ-SOFGYWHQSA-N -1 3 393.172 3.370 20 0 GGADHM CC(=Cc1ccc(Br)o1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001573367155 947754356 /nfs/dbraw/zinc/75/43/56/947754356.db2.gz YFQCSNZENWAQAQ-SOFGYWHQSA-N -1 3 393.172 3.370 20 0 GGADHM Cc1cc([C@](C)(O)CNc2ccc(Br)cc2-c2nnn[n-]2)c(C)o1 ZINC000826261644 947758563 /nfs/dbraw/zinc/75/85/63/947758563.db2.gz LZYJAYGMXWSWLW-MRXNPFEDSA-N -1 3 392.257 3.159 20 0 GGADHM Cc1cc([C@](C)(O)CNc2ccc(Br)cc2-c2nn[n-]n2)c(C)o1 ZINC000826261644 947758566 /nfs/dbraw/zinc/75/85/66/947758566.db2.gz LZYJAYGMXWSWLW-MRXNPFEDSA-N -1 3 392.257 3.159 20 0 GGADHM Cc1cc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000826262948 947761838 /nfs/dbraw/zinc/76/18/38/947761838.db2.gz FEXDJUZDIPHZQB-UHFFFAOYSA-N -1 3 383.799 3.168 20 0 GGADHM Cc1cc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000826262948 947761845 /nfs/dbraw/zinc/76/18/45/947761845.db2.gz FEXDJUZDIPHZQB-UHFFFAOYSA-N -1 3 383.799 3.168 20 0 GGADHM Cc1cc(C)cc(C2=CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)c1 ZINC000826264399 947764019 /nfs/dbraw/zinc/76/40/19/947764019.db2.gz MXOYOEDOYYQVGF-UHFFFAOYSA-N -1 3 394.504 3.273 20 0 GGADHM Cc1cc(C)cc(C2=CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)c1 ZINC000826264399 947764026 /nfs/dbraw/zinc/76/40/26/947764026.db2.gz MXOYOEDOYYQVGF-UHFFFAOYSA-N -1 3 394.504 3.273 20 0 GGADHM Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826270216 947780827 /nfs/dbraw/zinc/78/08/27/947780827.db2.gz QHHMDWIJVHUGDQ-LBPRGKRZSA-N -1 3 383.481 3.073 20 0 GGADHM Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826270216 947780839 /nfs/dbraw/zinc/78/08/39/947780839.db2.gz QHHMDWIJVHUGDQ-LBPRGKRZSA-N -1 3 383.481 3.073 20 0 GGADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1N1CCOCC1 ZINC000826270462 947783699 /nfs/dbraw/zinc/78/36/99/947783699.db2.gz BDQRMHYGGQAETH-CQSZACIVSA-N -1 3 382.443 3.324 20 0 GGADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1N1CCOCC1 ZINC000826270462 947783708 /nfs/dbraw/zinc/78/37/08/947783708.db2.gz BDQRMHYGGQAETH-CQSZACIVSA-N -1 3 382.443 3.324 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826282744 947813526 /nfs/dbraw/zinc/81/35/26/947813526.db2.gz BSHYNOHIITZTKK-XJKSGUPXSA-N -1 3 398.492 3.081 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826282744 947813530 /nfs/dbraw/zinc/81/35/30/947813530.db2.gz BSHYNOHIITZTKK-XJKSGUPXSA-N -1 3 398.492 3.081 20 0 GGADHM Cc1ccc(C2CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC2)cn1 ZINC000826286078 947824439 /nfs/dbraw/zinc/82/44/39/947824439.db2.gz RMPHBHSOWCAEFL-UHFFFAOYSA-N -1 3 381.415 3.121 20 0 GGADHM Cc1ccc(C2CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)cn1 ZINC000826286078 947824446 /nfs/dbraw/zinc/82/44/46/947824446.db2.gz RMPHBHSOWCAEFL-UHFFFAOYSA-N -1 3 381.415 3.121 20 0 GGADHM Cc1ccc2nc(CNc3ccc(Br)cc3-c3nnn[n-]3)cn2c1 ZINC000826295320 947855882 /nfs/dbraw/zinc/85/58/82/947855882.db2.gz BYKYUSILRSTVFW-UHFFFAOYSA-N -1 3 384.241 3.197 20 0 GGADHM Cc1ccc2nc(CNc3ccc(Br)cc3-c3nn[n-]n3)cn2c1 ZINC000826295320 947855887 /nfs/dbraw/zinc/85/58/87/947855887.db2.gz BYKYUSILRSTVFW-UHFFFAOYSA-N -1 3 384.241 3.197 20 0 GGADHM Cc1ccnc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826309228 947888346 /nfs/dbraw/zinc/88/83/46/947888346.db2.gz IFAJNUPVWXWOSP-IUCAKERBSA-N -1 3 380.296 3.137 20 0 GGADHM Cc1ccnc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826309228 947888355 /nfs/dbraw/zinc/88/83/55/947888355.db2.gz IFAJNUPVWXWOSP-IUCAKERBSA-N -1 3 380.296 3.137 20 0 GGADHM Cc1ccnc(N2CCc3c(F)cc(Br)cc3C2)c1-c1nnn[n-]1 ZINC000826311413 947902382 /nfs/dbraw/zinc/90/23/82/947902382.db2.gz DLGPSFRWPLKKIB-UHFFFAOYSA-N -1 3 389.232 3.034 20 0 GGADHM Cc1ccnc(N2CCc3c(F)cc(Br)cc3C2)c1-c1nn[n-]n1 ZINC000826311413 947902394 /nfs/dbraw/zinc/90/23/94/947902394.db2.gz DLGPSFRWPLKKIB-UHFFFAOYSA-N -1 3 389.232 3.034 20 0 GGADHM Cc1csc([C@H]2CCCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)n1 ZINC000826320342 947936256 /nfs/dbraw/zinc/93/62/56/947936256.db2.gz NBDHFKIQFSZLLJ-NSHDSACASA-N -1 3 375.889 3.372 20 0 GGADHM Cc1csc([C@H]2CCCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)n1 ZINC000826320342 947936263 /nfs/dbraw/zinc/93/62/63/947936263.db2.gz NBDHFKIQFSZLLJ-NSHDSACASA-N -1 3 375.889 3.372 20 0 GGADHM Cc1nc(-c2ccc(CCNC(=O)c3cccc(-c4nnn[n-]4)c3)s2)cs1 ZINC000826322175 947941275 /nfs/dbraw/zinc/94/12/75/947941275.db2.gz BAFHFQWVOLXERN-UHFFFAOYSA-N -1 3 396.501 3.333 20 0 GGADHM Cc1nc(-c2ccc(CCNC(=O)c3cccc(-c4nn[n-]n4)c3)s2)cs1 ZINC000826322175 947941281 /nfs/dbraw/zinc/94/12/81/947941281.db2.gz BAFHFQWVOLXERN-UHFFFAOYSA-N -1 3 396.501 3.333 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2Cl)n[nH]1 ZINC000826322470 947943082 /nfs/dbraw/zinc/94/30/82/947943082.db2.gz NWARDJRFHIQPSN-UHFFFAOYSA-N -1 3 394.826 3.174 20 0 GGADHM Cc1nc(COc2cccc(C(=O)Nc3ccccc3-c3nnn[n-]3)c2)cs1 ZINC000826326393 947951900 /nfs/dbraw/zinc/95/19/00/947951900.db2.gz NQKZUKVVKIEANE-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1nc(COc2cccc(C(=O)Nc3ccccc3-c3nn[n-]n3)c2)cs1 ZINC000826326393 947951909 /nfs/dbraw/zinc/95/19/09/947951909.db2.gz NQKZUKVVKIEANE-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1noc(C)c1[C@H](C)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826338830 947975143 /nfs/dbraw/zinc/97/51/43/947975143.db2.gz JGVLRGORHOAWKT-MRVPVSSYSA-N -1 3 377.246 3.450 20 0 GGADHM Cc1noc(C)c1[C@H](C)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826338830 947975147 /nfs/dbraw/zinc/97/51/47/947975147.db2.gz JGVLRGORHOAWKT-MRVPVSSYSA-N -1 3 377.246 3.450 20 0 GGADHM Fc1cc(Br)ccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826372058 948156438 /nfs/dbraw/zinc/15/64/38/948156438.db2.gz FLTBMVPRLHOOGT-UHFFFAOYSA-N -1 3 388.204 3.028 20 0 GGADHM Fc1cc(Br)ccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826372058 948156445 /nfs/dbraw/zinc/15/64/45/948156445.db2.gz FLTBMVPRLHOOGT-UHFFFAOYSA-N -1 3 388.204 3.028 20 0 GGADHM O=C(C=Cc1ccccc1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826401198 948222881 /nfs/dbraw/zinc/22/28/81/948222881.db2.gz RWQHCENKRUQCLJ-RMKNXTFCSA-N -1 3 391.822 3.358 20 0 GGADHM O=C(C=Cc1ccsc1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826403490 948225855 /nfs/dbraw/zinc/22/58/55/948225855.db2.gz UBXPBKMUKQRYSU-DAFODLJHSA-N -1 3 397.851 3.419 20 0 GGADHM O=C(CCc1ccccc1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826409122 948243915 /nfs/dbraw/zinc/24/39/15/948243915.db2.gz JOUDIGQNXVTQTL-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ncc(C2CCCCC2)s1 ZINC000826418341 948261614 /nfs/dbraw/zinc/26/16/14/948261614.db2.gz BMPKHZVTCTUGLS-UHFFFAOYSA-N -1 3 384.465 3.388 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ncc(C2CCCCC2)s1 ZINC000826418341 948261617 /nfs/dbraw/zinc/26/16/17/948261617.db2.gz BMPKHZVTCTUGLS-UHFFFAOYSA-N -1 3 384.465 3.388 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000826422286 948270798 /nfs/dbraw/zinc/27/07/98/948270798.db2.gz SWZCOYYIVRYUCQ-UHFFFAOYSA-N -1 3 385.830 3.050 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000826422286 948270807 /nfs/dbraw/zinc/27/08/07/948270807.db2.gz SWZCOYYIVRYUCQ-UHFFFAOYSA-N -1 3 385.830 3.050 20 0 GGADHM O=C(Cc1cccc(F)c1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826423635 948272394 /nfs/dbraw/zinc/27/23/94/948272394.db2.gz YUFKXNJWUGMQDM-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(Cc1cccc(F)c1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826423635 948272404 /nfs/dbraw/zinc/27/24/04/948272404.db2.gz YUFKXNJWUGMQDM-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(NC[C@@H]1CC=CCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826434316 948286807 /nfs/dbraw/zinc/28/68/07/948286807.db2.gz JRPPFWLUKXPMMN-GFCCVEGCSA-N -1 3 398.858 3.184 20 0 GGADHM O=C(NC[C@@H]1CC=CCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826434316 948286816 /nfs/dbraw/zinc/28/68/16/948286816.db2.gz JRPPFWLUKXPMMN-GFCCVEGCSA-N -1 3 398.858 3.184 20 0 GGADHM O=C(NCCCC1CC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826436248 948291474 /nfs/dbraw/zinc/29/14/74/948291474.db2.gz NKMCZZZNJYFUGQ-UHFFFAOYSA-N -1 3 386.847 3.018 20 0 GGADHM O=C(NCCCc1cccs1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826437301 948293047 /nfs/dbraw/zinc/29/30/47/948293047.db2.gz FWSRJTLBUUBGSB-UHFFFAOYSA-N -1 3 394.407 3.284 20 0 GGADHM O=C(NCCCc1cccs1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826437301 948293056 /nfs/dbraw/zinc/29/30/56/948293056.db2.gz FWSRJTLBUUBGSB-UHFFFAOYSA-N -1 3 394.407 3.284 20 0 GGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000826457213 948332971 /nfs/dbraw/zinc/33/29/71/948332971.db2.gz RHZMABGTXNOFEO-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000826457213 948332978 /nfs/dbraw/zinc/33/29/78/948332978.db2.gz RHZMABGTXNOFEO-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)N1CCC[C@H]1C1CC1 ZINC000826458512 948339787 /nfs/dbraw/zinc/33/97/87/948339787.db2.gz SUDPWKXSPXQKCN-AWEZNQCLSA-N -1 3 398.858 3.112 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)N1CCC[C@H]1C1CC1 ZINC000826458512 948339793 /nfs/dbraw/zinc/33/97/93/948339793.db2.gz SUDPWKXSPXQKCN-AWEZNQCLSA-N -1 3 398.858 3.112 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)NC1CCCCC1 ZINC000826458526 948342037 /nfs/dbraw/zinc/34/20/37/948342037.db2.gz TWSTUYDXWVCSMO-UHFFFAOYSA-N -1 3 386.847 3.160 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)NC1CCCCC1 ZINC000826458526 948342039 /nfs/dbraw/zinc/34/20/39/948342039.db2.gz TWSTUYDXWVCSMO-UHFFFAOYSA-N -1 3 386.847 3.160 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1cccnc1Cl ZINC000826464724 948359445 /nfs/dbraw/zinc/35/94/45/948359445.db2.gz JQVSPOQQEBQGBB-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1cccnc1Cl ZINC000826464724 948359455 /nfs/dbraw/zinc/35/94/55/948359455.db2.gz JQVSPOQQEBQGBB-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1nccnc1Sc1ccccc1 ZINC000826468419 948365704 /nfs/dbraw/zinc/36/57/04/948365704.db2.gz PLINMNXVJFBZPA-UHFFFAOYSA-N -1 3 376.401 3.027 20 0 GGADHM O[C@@H](CCc1ccccc1)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000826502584 948419587 /nfs/dbraw/zinc/41/95/87/948419587.db2.gz GMZCZMQLILCZSZ-AWEZNQCLSA-N -1 3 396.401 3.099 20 0 GGADHM O[C@@H](CCc1ccccc1)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000826502584 948419598 /nfs/dbraw/zinc/41/95/98/948419598.db2.gz GMZCZMQLILCZSZ-AWEZNQCLSA-N -1 3 396.401 3.099 20 0 GGADHM c1cn(CCCC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)cn1 ZINC000826524909 948462646 /nfs/dbraw/zinc/46/26/46/948462646.db2.gz OKOHZGJJJLJLTR-UHFFFAOYSA-N -1 3 392.511 3.034 20 0 GGADHM c1cn(CCCC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)cn1 ZINC000826524909 948462650 /nfs/dbraw/zinc/46/26/50/948462650.db2.gz OKOHZGJJJLJLTR-UHFFFAOYSA-N -1 3 392.511 3.034 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001212163509 948493041 /nfs/dbraw/zinc/49/30/41/948493041.db2.gz YMXVFDULYJMOKN-CHWSQXEVSA-N -1 3 397.932 3.405 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001212163509 948493045 /nfs/dbraw/zinc/49/30/45/948493045.db2.gz YMXVFDULYJMOKN-CHWSQXEVSA-N -1 3 397.932 3.405 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1oc2ccccc2c1Br ZINC001443448736 948519627 /nfs/dbraw/zinc/51/96/27/948519627.db2.gz MCDHLTXATAEJIN-UHFFFAOYSA-N -1 3 398.220 3.305 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1oc2ccccc2c1Br ZINC001443448736 948519634 /nfs/dbraw/zinc/51/96/34/948519634.db2.gz MCDHLTXATAEJIN-UHFFFAOYSA-N -1 3 398.220 3.305 20 0 GGADHM CCC(CC)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)C(=O)OC(C)(C)C ZINC001460801341 948527884 /nfs/dbraw/zinc/52/78/84/948527884.db2.gz LUHGIURITQVCFI-UHFFFAOYSA-N -1 3 377.420 3.092 20 0 GGADHM CCC(CC)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)C(=O)OC(C)(C)C ZINC001460801341 948527892 /nfs/dbraw/zinc/52/78/92/948527892.db2.gz LUHGIURITQVCFI-UHFFFAOYSA-N -1 3 377.420 3.092 20 0 GGADHM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001470497499 948531673 /nfs/dbraw/zinc/53/16/73/948531673.db2.gz GTYOKJAATGTEQK-UHFFFAOYSA-N -1 3 388.834 3.353 20 0 GGADHM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001470497499 948531679 /nfs/dbraw/zinc/53/16/79/948531679.db2.gz GTYOKJAATGTEQK-UHFFFAOYSA-N -1 3 388.834 3.353 20 0 GGADHM CC(C)(c1csc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)n1)c1ccccc1 ZINC001471113601 948535525 /nfs/dbraw/zinc/53/55/25/948535525.db2.gz AHRVXZSHSDWFFM-UHFFFAOYSA-N -1 3 391.460 3.296 20 0 GGADHM CC(C)(c1csc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)n1)c1ccccc1 ZINC001471113601 948535531 /nfs/dbraw/zinc/53/55/31/948535531.db2.gz AHRVXZSHSDWFFM-UHFFFAOYSA-N -1 3 391.460 3.296 20 0 GGADHM COc1cc(C2(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)CCC2)ccc1C ZINC001525059714 948536600 /nfs/dbraw/zinc/53/66/00/948536600.db2.gz KFCKQDVDGLKGIZ-UHFFFAOYSA-N -1 3 381.411 3.383 20 0 GGADHM COc1cc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)CCC2)ccc1C ZINC001525059714 948536607 /nfs/dbraw/zinc/53/66/07/948536607.db2.gz KFCKQDVDGLKGIZ-UHFFFAOYSA-N -1 3 381.411 3.383 20 0 GGADHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C(F)(F)F)n1 ZINC001528516454 948544900 /nfs/dbraw/zinc/54/49/00/948544900.db2.gz SKHXEFKVKPAZPH-UHFFFAOYSA-N -1 3 394.332 3.336 20 0 GGADHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C(F)(F)F)n1 ZINC001528516454 948544905 /nfs/dbraw/zinc/54/49/05/948544905.db2.gz SKHXEFKVKPAZPH-UHFFFAOYSA-N -1 3 394.332 3.336 20 0 GGADHM CO[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC001540586546 948550472 /nfs/dbraw/zinc/55/04/72/948550472.db2.gz BKMVPDWFRWFVSE-CQSZACIVSA-N -1 3 377.326 3.212 20 0 GGADHM CO[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC001540586546 948550477 /nfs/dbraw/zinc/55/04/77/948550477.db2.gz BKMVPDWFRWFVSE-CQSZACIVSA-N -1 3 377.326 3.212 20 0 GGADHM Cc1csc(CNc2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC001540505467 948550934 /nfs/dbraw/zinc/55/09/34/948550934.db2.gz FXNFAOXDQBQWAM-UHFFFAOYSA-N -1 3 391.460 3.496 20 0 GGADHM Cc1csc(CNc2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC001540505467 948550943 /nfs/dbraw/zinc/55/09/43/948550943.db2.gz FXNFAOXDQBQWAM-UHFFFAOYSA-N -1 3 391.460 3.496 20 0 GGADHM O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC001557195911 948556099 /nfs/dbraw/zinc/55/60/99/948556099.db2.gz UTYFWBRDVPVXGY-UHFFFAOYSA-N -1 3 384.705 3.066 20 0 GGADHM O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC001557195911 948556105 /nfs/dbraw/zinc/55/61/05/948556105.db2.gz UTYFWBRDVPVXGY-UHFFFAOYSA-N -1 3 384.705 3.066 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)cc(Cl)c1F ZINC001558259571 948556594 /nfs/dbraw/zinc/55/65/94/948556594.db2.gz APFPUXLFVSFNCF-SSDOTTSWSA-N -1 3 381.198 3.199 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)cc(Cl)c1F ZINC001558259571 948556598 /nfs/dbraw/zinc/55/65/98/948556598.db2.gz APFPUXLFVSFNCF-SSDOTTSWSA-N -1 3 381.198 3.199 20 0 GGADHM CC(C)c1ccc(OCC(=O)N(C)CCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001574416670 948757436 /nfs/dbraw/zinc/75/74/36/948757436.db2.gz CJMHKGYJSGMKTQ-UHFFFAOYSA-N -1 3 379.464 3.070 20 0 GGADHM CC(C)c1ccc(OCC(=O)N(C)CCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001574416670 948757451 /nfs/dbraw/zinc/75/74/51/948757451.db2.gz CJMHKGYJSGMKTQ-UHFFFAOYSA-N -1 3 379.464 3.070 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001574416696 948757620 /nfs/dbraw/zinc/75/76/20/948757620.db2.gz DROVDCFGXJEBJX-UHFFFAOYSA-N -1 3 393.491 3.463 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001574416696 948757631 /nfs/dbraw/zinc/75/76/31/948757631.db2.gz DROVDCFGXJEBJX-UHFFFAOYSA-N -1 3 393.491 3.463 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1)c1ccccc1F ZINC001574078701 948761235 /nfs/dbraw/zinc/76/12/35/948761235.db2.gz GQNKJLICQRNYQV-SFHVURJKSA-N -1 3 382.443 3.199 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1)c1ccccc1F ZINC001574078701 948761247 /nfs/dbraw/zinc/76/12/47/948761247.db2.gz GQNKJLICQRNYQV-SFHVURJKSA-N -1 3 382.443 3.199 20 0 GGADHM CC(C)c1ccc2ncnc(Nc3cnn(-c4ncccc4-c4nnn[n-]4)c3)c2c1 ZINC001574417056 948763670 /nfs/dbraw/zinc/76/36/70/948763670.db2.gz KIRGPBSTDIAMLH-UHFFFAOYSA-N -1 3 398.434 3.258 20 0 GGADHM CC(C)c1ccc2ncnc(Nc3cnn(-c4ncccc4-c4nn[n-]n4)c3)c2c1 ZINC001574417056 948763681 /nfs/dbraw/zinc/76/36/81/948763681.db2.gz KIRGPBSTDIAMLH-UHFFFAOYSA-N -1 3 398.434 3.258 20 0 GGADHM C[C@H](C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC001573755426 948766079 /nfs/dbraw/zinc/76/60/79/948766079.db2.gz DPCLLCHYUNVVDO-CQSZACIVSA-N -1 3 384.443 3.410 20 0 GGADHM C[C@H](C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001573755426 948766089 /nfs/dbraw/zinc/76/60/89/948766089.db2.gz DPCLLCHYUNVVDO-CQSZACIVSA-N -1 3 384.443 3.410 20 0 GGADHM C[C@H](C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)n1ccc(C(F)(F)F)n1 ZINC001573755599 948773806 /nfs/dbraw/zinc/77/38/06/948773806.db2.gz GFVKKGQQQIAPAO-SECBINFHSA-N -1 3 391.357 3.159 20 0 GGADHM C[C@H](C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)n1ccc(C(F)(F)F)n1 ZINC001573755599 948773819 /nfs/dbraw/zinc/77/38/19/948773819.db2.gz GFVKKGQQQIAPAO-SECBINFHSA-N -1 3 391.357 3.159 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)n1cccc1 ZINC001573755605 948773897 /nfs/dbraw/zinc/77/38/97/948773897.db2.gz GLMMJLOKZQZAIM-CYBMUJFWSA-N -1 3 375.392 3.055 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)n1cccc1 ZINC001573755605 948773910 /nfs/dbraw/zinc/77/39/10/948773910.db2.gz GLMMJLOKZQZAIM-CYBMUJFWSA-N -1 3 375.392 3.055 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1I)C(C)(C)C ZINC001573755585 948775256 /nfs/dbraw/zinc/77/52/56/948775256.db2.gz FUIDRWOXZMXZOL-MRVPVSSYSA-N -1 3 399.236 3.092 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1I)C(C)(C)C ZINC001573755585 948775270 /nfs/dbraw/zinc/77/52/70/948775270.db2.gz FUIDRWOXZMXZOL-MRVPVSSYSA-N -1 3 399.236 3.092 20 0 GGADHM C[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCCO1 ZINC001573755837 948785520 /nfs/dbraw/zinc/78/55/20/948785520.db2.gz JIHBPXVGMMKZAO-IFXJQAMLSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1CCCO1 ZINC001573755837 948785535 /nfs/dbraw/zinc/78/55/35/948785535.db2.gz JIHBPXVGMMKZAO-IFXJQAMLSA-N -1 3 393.447 3.199 20 0 GGADHM CC(C)c1cccc(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)c1 ZINC001574419670 948787664 /nfs/dbraw/zinc/78/76/64/948787664.db2.gz IQGCJWWNTATXCN-UHFFFAOYSA-N -1 3 391.884 3.122 20 0 GGADHM CC(C)c1cccc(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)c1 ZINC001574419670 948787678 /nfs/dbraw/zinc/78/76/78/948787678.db2.gz IQGCJWWNTATXCN-UHFFFAOYSA-N -1 3 391.884 3.122 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001574420820 948806151 /nfs/dbraw/zinc/80/61/51/948806151.db2.gz AVURYZDRFHOESH-UHFFFAOYSA-N -1 3 390.447 3.280 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001574420820 948806175 /nfs/dbraw/zinc/80/61/75/948806175.db2.gz AVURYZDRFHOESH-UHFFFAOYSA-N -1 3 390.447 3.280 20 0 GGADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001573756407 948815381 /nfs/dbraw/zinc/81/53/81/948815381.db2.gz QQHDJTLFZQAPMS-CQSZACIVSA-N -1 3 384.443 3.363 20 0 GGADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001573756407 948815397 /nfs/dbraw/zinc/81/53/97/948815397.db2.gz QQHDJTLFZQAPMS-CQSZACIVSA-N -1 3 384.443 3.363 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC001574082807 948868354 /nfs/dbraw/zinc/86/83/54/948868354.db2.gz KNGFFEGXSBXQOY-CJNGLKHVSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC001574082807 948868369 /nfs/dbraw/zinc/86/83/69/948868369.db2.gz KNGFFEGXSBXQOY-CJNGLKHVSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC001574082834 948868827 /nfs/dbraw/zinc/86/88/27/948868827.db2.gz LDNYKDCRXQSCQE-ACJLOTCBSA-N -1 3 383.427 3.287 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC001574082834 948868847 /nfs/dbraw/zinc/86/88/47/948868847.db2.gz LDNYKDCRXQSCQE-ACJLOTCBSA-N -1 3 383.427 3.287 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cccc(OC2CC2)c1 ZINC001574083523 948887678 /nfs/dbraw/zinc/88/76/78/948887678.db2.gz UUXXUISYJLZGIL-LJQANCHMSA-N -1 3 394.431 3.417 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cccc(OC2CC2)c1 ZINC001574083523 948887692 /nfs/dbraw/zinc/88/76/92/948887692.db2.gz UUXXUISYJLZGIL-LJQANCHMSA-N -1 3 394.431 3.417 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001574088175 948909654 /nfs/dbraw/zinc/90/96/54/948909654.db2.gz DAERQAWGNKFHDL-VFZGTOFNSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001574088175 948909669 /nfs/dbraw/zinc/90/96/69/948909669.db2.gz DAERQAWGNKFHDL-VFZGTOFNSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001574088173 948910520 /nfs/dbraw/zinc/91/05/20/948910520.db2.gz DAERQAWGNKFHDL-PSLIRLAXSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001574088173 948910536 /nfs/dbraw/zinc/91/05/36/948910536.db2.gz DAERQAWGNKFHDL-PSLIRLAXSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001574088877 948939805 /nfs/dbraw/zinc/93/98/05/948939805.db2.gz GSZZRMHCPRLEEL-XLIONFOSSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001574088877 948939817 /nfs/dbraw/zinc/93/98/17/948939817.db2.gz GSZZRMHCPRLEEL-XLIONFOSSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574090640 948991510 /nfs/dbraw/zinc/99/15/10/948991510.db2.gz MSSNDUUMLPNODZ-UTKZUKDTSA-N -1 3 391.479 3.038 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574090640 948991520 /nfs/dbraw/zinc/99/15/20/948991520.db2.gz MSSNDUUMLPNODZ-UTKZUKDTSA-N -1 3 391.479 3.038 20 0 GGADHM C[C@@H](c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cn2)cc1)C(F)(F)F ZINC001575501781 949011242 /nfs/dbraw/zinc/01/12/42/949011242.db2.gz FOIDWCDFSYEGDA-JTQLQIEISA-N -1 3 377.326 3.285 20 0 GGADHM C[C@@H](c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cn2)cc1)C(F)(F)F ZINC001575501781 949011259 /nfs/dbraw/zinc/01/12/59/949011259.db2.gz FOIDWCDFSYEGDA-JTQLQIEISA-N -1 3 377.326 3.285 20 0 GGADHM C[C@H](SCc1ncc(-c2nnn[n-]2)cn1)c1cccc(Br)c1 ZINC001575502343 949022252 /nfs/dbraw/zinc/02/22/52/949022252.db2.gz KLKALXZNFHCBFG-VIFPVBQESA-N -1 3 377.271 3.414 20 0 GGADHM C[C@H](SCc1ncc(-c2nn[n-]n2)cn1)c1cccc(Br)c1 ZINC001575502343 949022271 /nfs/dbraw/zinc/02/22/71/949022271.db2.gz KLKALXZNFHCBFG-VIFPVBQESA-N -1 3 377.271 3.414 20 0 GGADHM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001574692655 949036509 /nfs/dbraw/zinc/03/65/09/949036509.db2.gz AEEYUSVTJIKNPQ-SNVBAGLBSA-N -1 3 375.354 3.491 20 0 GGADHM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001574692655 949036535 /nfs/dbraw/zinc/03/65/35/949036535.db2.gz AEEYUSVTJIKNPQ-SNVBAGLBSA-N -1 3 375.354 3.491 20 0 GGADHM C[C@@H](NC(=O)C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001575247968 949055764 /nfs/dbraw/zinc/05/57/64/949055764.db2.gz MKSANQBIKNCWLL-SECBINFHSA-N -1 3 390.230 3.234 20 0 GGADHM C[C@@H](NC(=O)C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001575247968 949055746 /nfs/dbraw/zinc/05/57/46/949055746.db2.gz MKSANQBIKNCWLL-SECBINFHSA-N -1 3 390.230 3.234 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001575504222 949061033 /nfs/dbraw/zinc/06/10/33/949061033.db2.gz OLWBDHDQKZFSFQ-LBPRGKRZSA-N -1 3 376.395 3.387 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001575504222 949061058 /nfs/dbraw/zinc/06/10/58/949061058.db2.gz OLWBDHDQKZFSFQ-LBPRGKRZSA-N -1 3 376.395 3.387 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001575504221 949063405 /nfs/dbraw/zinc/06/34/05/949063405.db2.gz OLWBDHDQKZFSFQ-GFCCVEGCSA-N -1 3 376.395 3.387 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001575504221 949063426 /nfs/dbraw/zinc/06/34/26/949063426.db2.gz OLWBDHDQKZFSFQ-GFCCVEGCSA-N -1 3 376.395 3.387 20 0 GGADHM C[C@@H](CCOCc1ccccc1)NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574694541 949083956 /nfs/dbraw/zinc/08/39/56/949083956.db2.gz QYPBBIJXMFLIMA-ZDUSSCGKSA-N -1 3 384.415 3.123 20 0 GGADHM C[C@@H](CCOCc1ccccc1)NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574694541 949083975 /nfs/dbraw/zinc/08/39/75/949083975.db2.gz QYPBBIJXMFLIMA-ZDUSSCGKSA-N -1 3 384.415 3.123 20 0 GGADHM C[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC001575504753 949085342 /nfs/dbraw/zinc/08/53/42/949085342.db2.gz XHOVHUBUYKIGCU-MRVPVSSYSA-N -1 3 379.367 3.403 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccncc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC001575504941 949099918 /nfs/dbraw/zinc/09/99/18/949099918.db2.gz ZNGVJXRMFGMFMU-NEPJUHHUSA-N -1 3 394.460 3.366 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Sc1ccncc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001575504941 949099933 /nfs/dbraw/zinc/09/99/33/949099933.db2.gz ZNGVJXRMFGMFMU-NEPJUHHUSA-N -1 3 394.460 3.366 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1c(F)ccc2ccncc21 ZINC001575505044 949102778 /nfs/dbraw/zinc/10/27/78/949102778.db2.gz XYZCQJLXINTAMC-LBPRGKRZSA-N -1 3 376.395 3.387 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1c(F)ccc2ccncc21 ZINC001575505044 949102791 /nfs/dbraw/zinc/10/27/91/949102791.db2.gz XYZCQJLXINTAMC-LBPRGKRZSA-N -1 3 376.395 3.387 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505083 949104404 /nfs/dbraw/zinc/10/44/04/949104404.db2.gz ZLOJAQNCZORWDU-DPZKZMLUSA-N -1 3 398.417 3.403 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001575505083 949104414 /nfs/dbraw/zinc/10/44/14/949104414.db2.gz ZLOJAQNCZORWDU-DPZKZMLUSA-N -1 3 398.417 3.403 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1nnc(-c2cccc(F)c2)o1 ZINC001575511530 949130674 /nfs/dbraw/zinc/13/06/74/949130674.db2.gz JYTNQXKHVKUBNL-GFCCVEGCSA-N -1 3 379.399 3.249 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001574098732 949163775 /nfs/dbraw/zinc/16/37/75/949163775.db2.gz DTXWMAARCMNPSK-SFHVURJKSA-N -1 3 376.464 3.283 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001574098732 949163791 /nfs/dbraw/zinc/16/37/91/949163791.db2.gz DTXWMAARCMNPSK-SFHVURJKSA-N -1 3 376.464 3.283 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Br)cc1 ZINC001575514508 949168523 /nfs/dbraw/zinc/16/85/23/949168523.db2.gz WTJNAUJMNMTUPU-LLVKDONJSA-N -1 3 386.253 3.462 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Br)cc1 ZINC001575514508 949168530 /nfs/dbraw/zinc/16/85/30/949168530.db2.gz WTJNAUJMNMTUPU-LLVKDONJSA-N -1 3 386.253 3.462 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574099177 949168688 /nfs/dbraw/zinc/16/86/88/949168688.db2.gz ITUMXNILRHGESS-QAPCUYQASA-N -1 3 395.467 3.312 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574099177 949168705 /nfs/dbraw/zinc/16/87/05/949168705.db2.gz ITUMXNILRHGESS-QAPCUYQASA-N -1 3 395.467 3.312 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC001575515326 949185221 /nfs/dbraw/zinc/18/52/21/949185221.db2.gz HUGWMOMSPNCDEO-OAHLLOKOSA-N -1 3 399.458 3.343 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC001575515326 949185234 /nfs/dbraw/zinc/18/52/34/949185234.db2.gz HUGWMOMSPNCDEO-OAHLLOKOSA-N -1 3 399.458 3.343 20 0 GGADHM CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787885 949188666 /nfs/dbraw/zinc/18/86/66/949188666.db2.gz CTIVGZGCSNBOPY-UHFFFAOYSA-N -1 3 376.342 3.197 20 0 GGADHM CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787885 949188681 /nfs/dbraw/zinc/18/86/81/949188681.db2.gz CTIVGZGCSNBOPY-UHFFFAOYSA-N -1 3 376.342 3.197 20 0 GGADHM C[C@H](c1cccnc1)N(C)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001575515636 949189787 /nfs/dbraw/zinc/18/97/87/949189787.db2.gz JKKSQXWJXMQLTK-SECBINFHSA-N -1 3 377.221 3.361 20 0 GGADHM C[C@H](c1cccnc1)N(C)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001575515636 949189794 /nfs/dbraw/zinc/18/97/94/949189794.db2.gz JKKSQXWJXMQLTK-SECBINFHSA-N -1 3 377.221 3.361 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574099928 949190763 /nfs/dbraw/zinc/19/07/63/949190763.db2.gz REZXSVSGXYEANJ-INIZCTEOSA-N -1 3 379.424 3.316 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574099928 949190783 /nfs/dbraw/zinc/19/07/83/949190783.db2.gz REZXSVSGXYEANJ-INIZCTEOSA-N -1 3 379.424 3.316 20 0 GGADHM CC(C)(C(=O)Nc1cc(F)c(F)c(F)c1F)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788560 949200692 /nfs/dbraw/zinc/20/06/92/949200692.db2.gz MOVNNRQHJYLRCC-UHFFFAOYSA-N -1 3 397.307 3.479 20 0 GGADHM CC(C)(C(=O)Nc1cc(F)c(F)c(F)c1F)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788560 949200715 /nfs/dbraw/zinc/20/07/15/949200715.db2.gz MOVNNRQHJYLRCC-UHFFFAOYSA-N -1 3 397.307 3.479 20 0 GGADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001575516184 949204750 /nfs/dbraw/zinc/20/47/50/949204750.db2.gz NLQGXDAWDUXYEH-BEFAXECRSA-N -1 3 377.448 3.040 20 0 GGADHM CC(C)(C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788731 949211765 /nfs/dbraw/zinc/21/17/65/949211765.db2.gz VCZXBKLBJYPKRQ-UHFFFAOYSA-N -1 3 379.449 3.235 20 0 GGADHM CC(C)(C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788731 949211784 /nfs/dbraw/zinc/21/17/84/949211784.db2.gz VCZXBKLBJYPKRQ-UHFFFAOYSA-N -1 3 379.449 3.235 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001575516692 949215003 /nfs/dbraw/zinc/21/50/03/949215003.db2.gz QVHUWIDHFBXJKE-GFCCVEGCSA-N -1 3 392.398 3.456 20 0 GGADHM C[C@H](c1ccccc1)n1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001575516692 949215020 /nfs/dbraw/zinc/21/50/20/949215020.db2.gz QVHUWIDHFBXJKE-GFCCVEGCSA-N -1 3 392.398 3.456 20 0 GGADHM C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001575516845 949216228 /nfs/dbraw/zinc/21/62/28/949216228.db2.gz RACUATZOMCDVTA-CQSZACIVSA-N -1 3 396.882 3.039 20 0 GGADHM C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001575516845 949216256 /nfs/dbraw/zinc/21/62/56/949216256.db2.gz RACUATZOMCDVTA-CQSZACIVSA-N -1 3 396.882 3.039 20 0 GGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001576151281 949216719 /nfs/dbraw/zinc/21/67/19/949216719.db2.gz FUSHUIMIBSNREU-NXEZZACHSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001576151281 949216738 /nfs/dbraw/zinc/21/67/38/949216738.db2.gz FUSHUIMIBSNREU-NXEZZACHSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001575516835 949216582 /nfs/dbraw/zinc/21/65/82/949216582.db2.gz RACUATZOMCDVTA-AWEZNQCLSA-N -1 3 396.882 3.039 20 0 GGADHM C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001575516835 949216603 /nfs/dbraw/zinc/21/66/03/949216603.db2.gz RACUATZOMCDVTA-AWEZNQCLSA-N -1 3 396.882 3.039 20 0 GGADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001575517699 949238288 /nfs/dbraw/zinc/23/82/88/949238288.db2.gz YDYBCVUEFCWZKJ-HNAYVOBHSA-N -1 3 376.464 3.073 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)[C@@H]1C ZINC001576153105 949276568 /nfs/dbraw/zinc/27/65/68/949276568.db2.gz LVPNATOWZRFZIE-XJKCOSOUSA-N -1 3 380.452 3.324 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)[C@@H]1C ZINC001576153105 949276590 /nfs/dbraw/zinc/27/65/90/949276590.db2.gz LVPNATOWZRFZIE-XJKCOSOUSA-N -1 3 380.452 3.324 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001589606579 949292856 /nfs/dbraw/zinc/29/28/56/949292856.db2.gz WRVBLIRJNYRGAQ-HXUWFJFHSA-N -1 3 376.428 3.181 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001575861505 949325817 /nfs/dbraw/zinc/32/58/17/949325817.db2.gz SPULJAVOJBNHRN-KSSFIOAISA-N -1 3 390.495 3.328 20 0 GGADHM CC1=C(C)CN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001575861505 949325838 /nfs/dbraw/zinc/32/58/38/949325838.db2.gz SPULJAVOJBNHRN-KSSFIOAISA-N -1 3 390.495 3.328 20 0 GGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001576154373 949333705 /nfs/dbraw/zinc/33/37/05/949333705.db2.gz OVODTBOKTOLUBY-BBATYDOGSA-N -1 3 385.859 3.471 20 0 GGADHM O=C([O-])c1ccc(CN[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)s1 ZINC001595230911 949344597 /nfs/dbraw/zinc/34/45/97/949344597.db2.gz PNQHAOJLHHWETF-LJQANCHMSA-N -1 3 394.496 3.464 20 0 GGADHM CC1=CC[C@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001575865420 949374744 /nfs/dbraw/zinc/37/47/44/949374744.db2.gz LADFWSQBCJOAOX-FQEVSTJZSA-N -1 3 377.452 3.187 20 0 GGADHM CC1=CC[C@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001575865420 949374764 /nfs/dbraw/zinc/37/47/64/949374764.db2.gz LADFWSQBCJOAOX-FQEVSTJZSA-N -1 3 377.452 3.187 20 0 GGADHM C[C@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1)[C@H]1CCC[C@@H](C)C1 ZINC001576155189 949384031 /nfs/dbraw/zinc/38/40/31/949384031.db2.gz SYLBADOQTRDWCT-VWYCJHECSA-N -1 3 382.390 3.225 20 0 GGADHM C[C@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H](C)C1 ZINC001576155187 949385894 /nfs/dbraw/zinc/38/58/94/949385894.db2.gz SYLBADOQTRDWCT-GARJFASQSA-N -1 3 382.390 3.225 20 0 GGADHM CC1=CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2C[C@H]2CC2(C)C)CC1 ZINC001575866275 949403709 /nfs/dbraw/zinc/40/37/09/949403709.db2.gz QYEARYDGRPROQY-QGZVFWFLSA-N -1 3 390.495 3.328 20 0 GGADHM CC1=CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2C[C@H]2CC2(C)C)CC1 ZINC001575866275 949403720 /nfs/dbraw/zinc/40/37/20/949403720.db2.gz QYEARYDGRPROQY-QGZVFWFLSA-N -1 3 390.495 3.328 20 0 GGADHM CC1=CCCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CCC2(C)CC2)C1 ZINC001575866470 949410149 /nfs/dbraw/zinc/41/01/49/949410149.db2.gz TVIFLBDAGGJPFN-UHFFFAOYSA-N -1 3 390.495 3.472 20 0 GGADHM CC1=CCCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CCC2(C)CC2)C1 ZINC001575866470 949410159 /nfs/dbraw/zinc/41/01/59/949410159.db2.gz TVIFLBDAGGJPFN-UHFFFAOYSA-N -1 3 390.495 3.472 20 0 GGADHM C[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001576155656 949412812 /nfs/dbraw/zinc/41/28/12/949412812.db2.gz JTFWDSKREGAKCS-NXEZZACHSA-N -1 3 379.262 3.187 20 0 GGADHM C[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001576155656 949412825 /nfs/dbraw/zinc/41/28/25/949412825.db2.gz JTFWDSKREGAKCS-NXEZZACHSA-N -1 3 379.262 3.187 20 0 GGADHM C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001576155659 949413699 /nfs/dbraw/zinc/41/36/99/949413699.db2.gz JTFWDSKREGAKCS-ZJUUUORDSA-N -1 3 379.262 3.187 20 0 GGADHM C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001576155659 949413710 /nfs/dbraw/zinc/41/37/10/949413710.db2.gz JTFWDSKREGAKCS-ZJUUUORDSA-N -1 3 379.262 3.187 20 0 GGADHM C[C@@H]1CCC[C@@H](OC(=O)COc2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001576155823 949420228 /nfs/dbraw/zinc/42/02/28/949420228.db2.gz VHJXYWXCUBSVOH-GHMZBOCLSA-N -1 3 395.257 3.130 20 0 GGADHM C[C@@H]1CCC[C@@H](OC(=O)COc2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001576155823 949420243 /nfs/dbraw/zinc/42/02/43/949420243.db2.gz VHJXYWXCUBSVOH-GHMZBOCLSA-N -1 3 395.257 3.130 20 0 GGADHM CC(C)n1ncc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[n-]3)cnc21 ZINC001574468064 949457619 /nfs/dbraw/zinc/45/76/19/949457619.db2.gz GUVBCJDODSDHQT-UHFFFAOYSA-N -1 3 382.815 3.098 20 0 GGADHM CC(C)n1ncc2cc(C(=O)Nc3ccc(Cl)cc3-c3nn[n-]n3)cnc21 ZINC001574468064 949457621 /nfs/dbraw/zinc/45/76/21/949457621.db2.gz GUVBCJDODSDHQT-UHFFFAOYSA-N -1 3 382.815 3.098 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575870577 949490027 /nfs/dbraw/zinc/49/00/27/949490027.db2.gz VSFTVDJCTMSMDG-GDBMZVCRSA-N -1 3 397.429 3.438 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575870577 949490040 /nfs/dbraw/zinc/49/00/40/949490040.db2.gz VSFTVDJCTMSMDG-GDBMZVCRSA-N -1 3 397.429 3.438 20 0 GGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576157742 949493094 /nfs/dbraw/zinc/49/30/94/949493094.db2.gz RUGBZQXNRUJPCT-VXGBXAGGSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576157742 949493103 /nfs/dbraw/zinc/49/31/03/949493103.db2.gz RUGBZQXNRUJPCT-VXGBXAGGSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575870937 949499341 /nfs/dbraw/zinc/49/93/41/949499341.db2.gz XJPYDULLEWHYEC-STRKUORWSA-N -1 3 387.487 3.450 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575870937 949499355 /nfs/dbraw/zinc/49/93/55/949499355.db2.gz XJPYDULLEWHYEC-STRKUORWSA-N -1 3 387.487 3.450 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575870939 949499714 /nfs/dbraw/zinc/49/97/14/949499714.db2.gz XJPYDULLEWHYEC-YDPGBSGYSA-N -1 3 387.487 3.450 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575870939 949499731 /nfs/dbraw/zinc/49/97/31/949499731.db2.gz XJPYDULLEWHYEC-YDPGBSGYSA-N -1 3 387.487 3.450 20 0 GGADHM CC(C)[C@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C)C1 ZINC001576165933 949574250 /nfs/dbraw/zinc/57/42/50/949574250.db2.gz KKXLXSZYIOWTER-WBMJQRKESA-N -1 3 377.489 3.381 20 0 GGADHM CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC001574125493 949592053 /nfs/dbraw/zinc/59/20/53/949592053.db2.gz QSPFPANZUHKKSY-UHFFFAOYSA-N -1 3 399.480 3.235 20 0 GGADHM CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC001574125493 949592065 /nfs/dbraw/zinc/59/20/65/949592065.db2.gz QSPFPANZUHKKSY-UHFFFAOYSA-N -1 3 399.480 3.235 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576167533 949607338 /nfs/dbraw/zinc/60/73/38/949607338.db2.gz QAIZHFYOQODATO-UGSOOPFHSA-N -1 3 384.484 3.461 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576167533 949607346 /nfs/dbraw/zinc/60/73/46/949607346.db2.gz QAIZHFYOQODATO-UGSOOPFHSA-N -1 3 384.484 3.461 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001595257452 949632637 /nfs/dbraw/zinc/63/26/37/949632637.db2.gz HOBHNKRHLICBBQ-FQEVSTJZSA-N -1 3 391.414 3.487 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001595258125 949641199 /nfs/dbraw/zinc/64/11/99/949641199.db2.gz XVLHNRILHSLKPI-UHFFFAOYSA-N -1 3 384.451 3.430 20 0 GGADHM CCCC[C@H](C(=O)Nc1cc(C)on1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589639507 949663951 /nfs/dbraw/zinc/66/39/51/949663951.db2.gz ZWJXROAPBKOTDJ-RCCFBDPRSA-N -1 3 385.464 3.281 20 0 GGADHM CCCCCOc1ccc(Br)cc1CN[C@@]1(C(=O)[O-])CCOC1 ZINC001589646760 949740615 /nfs/dbraw/zinc/74/06/15/949740615.db2.gz QCKMDSPXFZDHHG-KRWDZBQOSA-N -1 3 386.286 3.351 20 0 GGADHM CCCCCOc1ccc(Br)cc1CN[C@]1(C(=O)[O-])CCOC1 ZINC001589646763 949741004 /nfs/dbraw/zinc/74/10/04/949741004.db2.gz QCKMDSPXFZDHHG-QGZVFWFLSA-N -1 3 386.286 3.351 20 0 GGADHM CCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001589658506 949824332 /nfs/dbraw/zinc/82/43/32/949824332.db2.gz ANOGQERSSQDISS-HSALFYBXSA-N -1 3 387.524 3.326 20 0 GGADHM CC(C)(C)[C@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001573825920 949893564 /nfs/dbraw/zinc/89/35/64/949893564.db2.gz CNABYCQAERNGCT-KRWDZBQOSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)(C)[C@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001573825920 949893587 /nfs/dbraw/zinc/89/35/87/949893587.db2.gz CNABYCQAERNGCT-KRWDZBQOSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2csc(-c3nnn[n-]3)c2)ccn1 ZINC001574143423 949897196 /nfs/dbraw/zinc/89/71/96/949897196.db2.gz HMZOUQVJNCZZNI-GFCCVEGCSA-N -1 3 386.481 3.067 20 0 GGADHM CC(C)CC(CC(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001574143995 949899512 /nfs/dbraw/zinc/89/95/12/949899512.db2.gz JZKBFIPNSYAUET-UHFFFAOYSA-N -1 3 384.528 3.224 20 0 GGADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574484930 949908029 /nfs/dbraw/zinc/90/80/29/949908029.db2.gz RYMYWPWVTDNLND-YJBOKZPZSA-N -1 3 397.527 3.271 20 0 GGADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574484930 949908046 /nfs/dbraw/zinc/90/80/46/949908046.db2.gz RYMYWPWVTDNLND-YJBOKZPZSA-N -1 3 397.527 3.271 20 0 GGADHM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574484929 949911289 /nfs/dbraw/zinc/91/12/89/949911289.db2.gz RYMYWPWVTDNLND-QAPCUYQASA-N -1 3 397.527 3.271 20 0 GGADHM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574484929 949911307 /nfs/dbraw/zinc/91/13/07/949911307.db2.gz RYMYWPWVTDNLND-QAPCUYQASA-N -1 3 397.527 3.271 20 0 GGADHM CC(C)C[C@H](C)n1nccc1NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001574144578 949913062 /nfs/dbraw/zinc/91/30/62/949913062.db2.gz PNPKITPBOXUSOZ-LBPRGKRZSA-N -1 3 389.410 3.401 20 0 GGADHM CC(C)C[C@H](C)n1nccc1NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001574144578 949913079 /nfs/dbraw/zinc/91/30/79/949913079.db2.gz PNPKITPBOXUSOZ-LBPRGKRZSA-N -1 3 389.410 3.401 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573827212 949915072 /nfs/dbraw/zinc/91/50/72/949915072.db2.gz KZLPSLORJCQALZ-LRDDRELGSA-N -1 3 395.504 3.137 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573827212 949915086 /nfs/dbraw/zinc/91/50/86/949915086.db2.gz KZLPSLORJCQALZ-LRDDRELGSA-N -1 3 395.504 3.137 20 0 GGADHM CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CC1 ZINC001573827611 949924761 /nfs/dbraw/zinc/92/47/61/949924761.db2.gz MZCYMVJDEKPQKT-LBPRGKRZSA-N -1 3 397.932 3.357 20 0 GGADHM CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CC1 ZINC001573827611 949924782 /nfs/dbraw/zinc/92/47/82/949924782.db2.gz MZCYMVJDEKPQKT-LBPRGKRZSA-N -1 3 397.932 3.357 20 0 GGADHM CC(C)(C)[C@H]1CCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)CCO1 ZINC001573828254 949932096 /nfs/dbraw/zinc/93/20/96/949932096.db2.gz PWCWCWRJPWHTMP-CQSZACIVSA-N -1 3 398.280 3.410 20 0 GGADHM CC(C)(C)[C@H]1CCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)CCO1 ZINC001573828254 949932114 /nfs/dbraw/zinc/93/21/14/949932114.db2.gz PWCWCWRJPWHTMP-CQSZACIVSA-N -1 3 398.280 3.410 20 0 GGADHM CC(C)(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573828306 949936393 /nfs/dbraw/zinc/93/63/93/949936393.db2.gz QJRZWPSGRWIJGM-JSGCOSHPSA-N -1 3 383.905 3.013 20 0 GGADHM CC(C)(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573828306 949936411 /nfs/dbraw/zinc/93/64/11/949936411.db2.gz QJRZWPSGRWIJGM-JSGCOSHPSA-N -1 3 383.905 3.013 20 0 GGADHM CC(C)C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001574148065 949971500 /nfs/dbraw/zinc/97/15/00/949971500.db2.gz JXVBYKFGPMOUJC-OFAQMXQXSA-N -1 3 399.495 3.000 20 0 GGADHM CC(C)C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001574148065 949971515 /nfs/dbraw/zinc/97/15/15/949971515.db2.gz JXVBYKFGPMOUJC-OFAQMXQXSA-N -1 3 399.495 3.000 20 0 GGADHM CC(C)C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001574148067 949971588 /nfs/dbraw/zinc/97/15/88/949971588.db2.gz JXVBYKFGPMOUJC-SNGWPZLWSA-N -1 3 399.495 3.000 20 0 GGADHM CC(C)C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001574148067 949971602 /nfs/dbraw/zinc/97/16/02/949971602.db2.gz JXVBYKFGPMOUJC-SNGWPZLWSA-N -1 3 399.495 3.000 20 0 GGADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573831443 950004330 /nfs/dbraw/zinc/00/43/30/950004330.db2.gz YMSXBBVWPRBRTK-KRWDZBQOSA-N -1 3 396.495 3.110 20 0 GGADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573831443 950004354 /nfs/dbraw/zinc/00/43/54/950004354.db2.gz YMSXBBVWPRBRTK-KRWDZBQOSA-N -1 3 396.495 3.110 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@@H]1CC=CCC1 ZINC001576181687 950012932 /nfs/dbraw/zinc/01/29/32/950012932.db2.gz VUMHARZRFBIMSZ-JKSUJKDBSA-N -1 3 390.495 3.470 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@@H]1CC=CCC1 ZINC001576181687 950012953 /nfs/dbraw/zinc/01/29/53/950012953.db2.gz VUMHARZRFBIMSZ-JKSUJKDBSA-N -1 3 390.495 3.470 20 0 GGADHM CC(C)(C)CC(C)(C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573839825 950134553 /nfs/dbraw/zinc/13/45/53/950134553.db2.gz XODWPCUAXVBWND-UHFFFAOYSA-N -1 3 388.491 3.117 20 0 GGADHM CC(C)(C)CC[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001573842522 950148436 /nfs/dbraw/zinc/14/84/36/950148436.db2.gz GBPAQBSHMITHSK-GFCCVEGCSA-N -1 3 393.513 3.195 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576190332 950159027 /nfs/dbraw/zinc/15/90/27/950159027.db2.gz AFZCQASCFBQJOO-CYBMUJFWSA-N -1 3 394.483 3.224 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1c1ccccc1 ZINC001576191083 950185299 /nfs/dbraw/zinc/18/52/99/950185299.db2.gz GBLQHKFDQDBPHQ-UGSOOPFHSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)[C@@H]1c1ccccc1 ZINC001576191083 950185311 /nfs/dbraw/zinc/18/53/11/950185311.db2.gz GBLQHKFDQDBPHQ-UGSOOPFHSA-N -1 3 380.427 3.299 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000262964984 950201417 /nfs/dbraw/zinc/20/14/17/950201417.db2.gz JKHRGFNMFBIWOI-HXUWFJFHSA-N -1 3 381.476 3.330 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)co1 ZINC001573849769 950259418 /nfs/dbraw/zinc/25/94/18/950259418.db2.gz BETYHPZVSOFGLN-ALCCZGGFSA-N -1 3 399.382 3.206 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)co1 ZINC001573849769 950259437 /nfs/dbraw/zinc/25/94/37/950259437.db2.gz BETYHPZVSOFGLN-ALCCZGGFSA-N -1 3 399.382 3.206 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c2cccs2)CC1 ZINC000263093539 950259991 /nfs/dbraw/zinc/25/99/91/950259991.db2.gz ALESXWZJLVFJBL-GVDBMIGSSA-N -1 3 393.553 3.273 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)co1 ZINC001573849770 950260536 /nfs/dbraw/zinc/26/05/36/950260536.db2.gz BETYHPZVSOFGLN-FNORWQNLSA-N -1 3 399.382 3.206 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)co1 ZINC001573849770 950260557 /nfs/dbraw/zinc/26/05/57/950260557.db2.gz BETYHPZVSOFGLN-FNORWQNLSA-N -1 3 399.382 3.206 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)[C@H]1c1ccccc1 ZINC001576192902 950272470 /nfs/dbraw/zinc/27/24/70/950272470.db2.gz RFJQIJVSSRUEBN-SCLBCKFNSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@H]1c1ccccc1 ZINC001576192902 950272493 /nfs/dbraw/zinc/27/24/93/950272493.db2.gz RFJQIJVSSRUEBN-SCLBCKFNSA-N -1 3 380.427 3.299 20 0 GGADHM CC(C)(C)OC(=O)CC1(NC(=O)c2sccc2-c2nnn[n-]2)CCCCC1 ZINC001573850641 950277777 /nfs/dbraw/zinc/27/77/77/950277777.db2.gz MBRLVFWYRKCARZ-UHFFFAOYSA-N -1 3 391.497 3.093 20 0 GGADHM CC(C)(C)OC(=O)CC1(NC(=O)c2sccc2-c2nn[n-]n2)CCCCC1 ZINC001573850641 950277793 /nfs/dbraw/zinc/27/77/93/950277793.db2.gz MBRLVFWYRKCARZ-UHFFFAOYSA-N -1 3 391.497 3.093 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC001573851364 950294550 /nfs/dbraw/zinc/29/45/50/950294550.db2.gz WDWURAPBOSNIFN-CYBMUJFWSA-N -1 3 393.875 3.463 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC001573851364 950294564 /nfs/dbraw/zinc/29/45/64/950294564.db2.gz WDWURAPBOSNIFN-CYBMUJFWSA-N -1 3 393.875 3.463 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)ccn2)c2cc(Cl)ccc2S1 ZINC001576193420 950294990 /nfs/dbraw/zinc/29/49/90/950294990.db2.gz USENQQKKYQORQK-SNVBAGLBSA-N -1 3 386.868 3.446 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)c2cc(Cl)ccc2S1 ZINC001576193420 950295004 /nfs/dbraw/zinc/29/50/04/950295004.db2.gz USENQQKKYQORQK-SNVBAGLBSA-N -1 3 386.868 3.446 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263310635 950361514 /nfs/dbraw/zinc/36/15/14/950361514.db2.gz HXMMKDPPMDMRMD-CFLQYTFWSA-N -1 3 376.472 3.216 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263361109 950400318 /nfs/dbraw/zinc/40/03/18/950400318.db2.gz RXWBJAGAPBCSDT-KPFFTGBYSA-N -1 3 388.508 3.182 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CN3C[C@H](C(=O)[O-])C[C@H](C)C3)CC2)cc1 ZINC000263364832 950405948 /nfs/dbraw/zinc/40/59/48/950405948.db2.gz SWNHFJCGLJNCQP-GHTZIAJQSA-N -1 3 386.536 3.209 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000263367656 950408259 /nfs/dbraw/zinc/40/82/59/950408259.db2.gz UIEYRSQXISAHNH-SIXWZSSISA-N -1 3 398.425 3.010 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263398854 950437464 /nfs/dbraw/zinc/43/74/64/950437464.db2.gz RUAKIDYGXROVAM-RDJZCZTQSA-N -1 3 381.904 3.229 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263398849 950438214 /nfs/dbraw/zinc/43/82/14/950438214.db2.gz RUAKIDYGXROVAM-NVXWUHKLSA-N -1 3 381.904 3.229 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000263403379 950442717 /nfs/dbraw/zinc/44/27/17/950442717.db2.gz SOIOOMYPLWOIKQ-HXUWFJFHSA-N -1 3 399.491 3.274 20 0 GGADHM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000263415167 950449381 /nfs/dbraw/zinc/44/93/81/950449381.db2.gz VTQYEAMISNWWKY-HXUWFJFHSA-N -1 3 381.476 3.191 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1Cl ZINC001573862248 950463695 /nfs/dbraw/zinc/46/36/95/950463695.db2.gz RAVOKNSTLKSDAD-HNNXBMFYSA-N -1 3 377.876 3.216 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1Cl ZINC001573862248 950463708 /nfs/dbraw/zinc/46/37/08/950463708.db2.gz RAVOKNSTLKSDAD-HNNXBMFYSA-N -1 3 377.876 3.216 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001573863294 950470814 /nfs/dbraw/zinc/47/08/14/950470814.db2.gz AIBCJRHNJKQECI-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001573863294 950470819 /nfs/dbraw/zinc/47/08/19/950470819.db2.gz AIBCJRHNJKQECI-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCO1 ZINC001574167628 950489376 /nfs/dbraw/zinc/48/93/76/950489376.db2.gz GRWWMOHKVMBHDX-CVEARBPZSA-N -1 3 384.484 3.459 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCO1 ZINC001574167628 950489385 /nfs/dbraw/zinc/48/93/85/950489385.db2.gz GRWWMOHKVMBHDX-CVEARBPZSA-N -1 3 384.484 3.459 20 0 GGADHM CC(C)CC1(NC(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)CC1 ZINC001574167717 950489490 /nfs/dbraw/zinc/48/94/90/950489490.db2.gz HFOZPMRGIPASKF-CYBMUJFWSA-N -1 3 382.390 3.348 20 0 GGADHM CC(C)CC1(NC(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)CC1 ZINC001574167717 950489496 /nfs/dbraw/zinc/48/94/96/950489496.db2.gz HFOZPMRGIPASKF-CYBMUJFWSA-N -1 3 382.390 3.348 20 0 GGADHM CC(C)CC1(NC(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)CC1 ZINC001574167718 950489688 /nfs/dbraw/zinc/48/96/88/950489688.db2.gz HFOZPMRGIPASKF-ZDUSSCGKSA-N -1 3 382.390 3.348 20 0 GGADHM CC(C)CC1(NC(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)CC1 ZINC001574167718 950489695 /nfs/dbraw/zinc/48/96/95/950489695.db2.gz HFOZPMRGIPASKF-ZDUSSCGKSA-N -1 3 382.390 3.348 20 0 GGADHM CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCO1 ZINC001574167630 950489824 /nfs/dbraw/zinc/48/98/24/950489824.db2.gz GRWWMOHKVMBHDX-HZPDHXFCSA-N -1 3 384.484 3.459 20 0 GGADHM CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCO1 ZINC001574167630 950489838 /nfs/dbraw/zinc/48/98/38/950489838.db2.gz GRWWMOHKVMBHDX-HZPDHXFCSA-N -1 3 384.484 3.459 20 0 GGADHM CC(C)C[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001574168354 950512828 /nfs/dbraw/zinc/51/28/28/950512828.db2.gz VBHKQZDCWHWPIR-AWEZNQCLSA-N -1 3 392.301 3.209 20 0 GGADHM CC(C)C[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001574168354 950512841 /nfs/dbraw/zinc/51/28/41/950512841.db2.gz VBHKQZDCWHWPIR-AWEZNQCLSA-N -1 3 392.301 3.209 20 0 GGADHM C[C@@]1(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCOc2ccccc21 ZINC001575614562 950538351 /nfs/dbraw/zinc/53/83/51/950538351.db2.gz IEHHTZYTRCSECC-OAQYLSRUSA-N -1 3 386.415 3.094 20 0 GGADHM C[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCOc2ccccc21 ZINC001575614562 950538371 /nfs/dbraw/zinc/53/83/71/950538371.db2.gz IEHHTZYTRCSECC-OAQYLSRUSA-N -1 3 386.415 3.094 20 0 GGADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575617001 950593076 /nfs/dbraw/zinc/59/30/76/950593076.db2.gz XMBOOHTYNSCXPP-MJBXVCDLSA-N -1 3 379.386 3.160 20 0 GGADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575617001 950593100 /nfs/dbraw/zinc/59/31/00/950593100.db2.gz XMBOOHTYNSCXPP-MJBXVCDLSA-N -1 3 379.386 3.160 20 0 GGADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575616997 950594282 /nfs/dbraw/zinc/59/42/82/950594282.db2.gz XMBOOHTYNSCXPP-BFHYXJOUSA-N -1 3 379.386 3.160 20 0 GGADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575616997 950594290 /nfs/dbraw/zinc/59/42/90/950594290.db2.gz XMBOOHTYNSCXPP-BFHYXJOUSA-N -1 3 379.386 3.160 20 0 GGADHM CC1CCN(CC(=O)Nc2ccc(Oc3ccccc3)c(-c3nnn[n-]3)c2)CC1 ZINC001576213651 950640599 /nfs/dbraw/zinc/64/05/99/950640599.db2.gz FWIJDUYBJZVMCT-UHFFFAOYSA-N -1 3 392.463 3.329 20 0 GGADHM CC1(C)C(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001575622322 950640836 /nfs/dbraw/zinc/64/08/36/950640836.db2.gz CKQGDJWKOQCGFP-UHFFFAOYSA-N -1 3 395.463 3.451 20 0 GGADHM CC1(C)C(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001575622322 950640848 /nfs/dbraw/zinc/64/08/48/950640848.db2.gz CKQGDJWKOQCGFP-UHFFFAOYSA-N -1 3 395.463 3.451 20 0 GGADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001575622616 950642565 /nfs/dbraw/zinc/64/25/65/950642565.db2.gz FIIISISXSJSNTR-GOSISDBHSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001575622616 950642585 /nfs/dbraw/zinc/64/25/85/950642585.db2.gz FIIISISXSJSNTR-GOSISDBHSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)CC(=O)c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3F)c2O1 ZINC001575622708 950643605 /nfs/dbraw/zinc/64/36/05/950643605.db2.gz GFIOXCGHZFCMOK-UHFFFAOYSA-N -1 3 381.367 3.002 20 0 GGADHM CC1(C)CC(=O)c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3F)c2O1 ZINC001575622708 950643613 /nfs/dbraw/zinc/64/36/13/950643613.db2.gz GFIOXCGHZFCMOK-UHFFFAOYSA-N -1 3 381.367 3.002 20 0 GGADHM C[C@@H]1C[C@H]1Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)CC1 ZINC001576213772 950646170 /nfs/dbraw/zinc/64/61/70/950646170.db2.gz IBTQLVZBXRARKE-PBHICJAKSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H]1C[C@H]1Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)CC1 ZINC001576213772 950646183 /nfs/dbraw/zinc/64/61/83/950646183.db2.gz IBTQLVZBXRARKE-PBHICJAKSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@H]1C[C@H]1Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)CC1 ZINC001576213775 950646836 /nfs/dbraw/zinc/64/68/36/950646836.db2.gz IBTQLVZBXRARKE-YOEHRIQHSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@H]1C[C@H]1Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)CC1 ZINC001576213775 950646850 /nfs/dbraw/zinc/64/68/50/950646850.db2.gz IBTQLVZBXRARKE-YOEHRIQHSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H]1C[C@@H]1Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)CC1 ZINC001576213773 950647272 /nfs/dbraw/zinc/64/72/72/950647272.db2.gz IBTQLVZBXRARKE-RHSMWYFYSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H]1C[C@@H]1Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)CC1 ZINC001576213773 950647285 /nfs/dbraw/zinc/64/72/85/950647285.db2.gz IBTQLVZBXRARKE-RHSMWYFYSA-N -1 3 378.484 3.018 20 0 GGADHM CC(C)C1(Cn2c(-c3ccc(-c4nnn[n-]4)cc3)nnc2N2CC[C@H](C)C2)CC1 ZINC001576213821 950651666 /nfs/dbraw/zinc/65/16/66/950651666.db2.gz IYAJCHQMQPQJID-HNNXBMFYSA-N -1 3 392.511 3.408 20 0 GGADHM CC(C)C1(Cn2c(-c3ccc(-c4nn[n-]n4)cc3)nnc2N2CC[C@H](C)C2)CC1 ZINC001576213821 950651680 /nfs/dbraw/zinc/65/16/80/950651680.db2.gz IYAJCHQMQPQJID-HNNXBMFYSA-N -1 3 392.511 3.408 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NCCc2ccsc2)cc1-c1nnn[n-]1 ZINC001573876091 950659940 /nfs/dbraw/zinc/65/99/40/950659940.db2.gz CUPNPHVRBQQEFD-UHFFFAOYSA-N -1 3 386.481 3.470 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NCCc2ccsc2)cc1-c1nn[n-]n1 ZINC001573876091 950659970 /nfs/dbraw/zinc/65/99/70/950659970.db2.gz CUPNPHVRBQQEFD-UHFFFAOYSA-N -1 3 386.481 3.470 20 0 GGADHM C[C@H]1CCN(c2cc(C(=O)Nc3ccc(C4CC4)c(-c4nnn[n-]4)c3)ccn2)C1 ZINC001576214295 950664729 /nfs/dbraw/zinc/66/47/29/950664729.db2.gz OQWDCLTXUCJNJB-ZDUSSCGKSA-N -1 3 389.463 3.238 20 0 GGADHM C[C@H]1CCN(c2cc(C(=O)Nc3ccc(C4CC4)c(-c4nn[n-]n4)c3)ccn2)C1 ZINC001576214295 950664736 /nfs/dbraw/zinc/66/47/36/950664736.db2.gz OQWDCLTXUCJNJB-ZDUSSCGKSA-N -1 3 389.463 3.238 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccnc(Cl)c2F)cc1-c1nnn[n-]1 ZINC001573876363 950670965 /nfs/dbraw/zinc/67/09/65/950670965.db2.gz MOFLAGFPPZFADF-UHFFFAOYSA-N -1 3 390.806 3.484 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccnc(Cl)c2F)cc1-c1nn[n-]n1 ZINC001573876363 950670977 /nfs/dbraw/zinc/67/09/77/950670977.db2.gz MOFLAGFPPZFADF-UHFFFAOYSA-N -1 3 390.806 3.484 20 0 GGADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001575624742 950675883 /nfs/dbraw/zinc/67/58/83/950675883.db2.gz NREBQVYWZAZEQZ-GOSISDBHSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001575624742 950675899 /nfs/dbraw/zinc/67/58/99/950675899.db2.gz NREBQVYWZAZEQZ-GOSISDBHSA-N -1 3 394.454 3.484 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2nccc(Cl)c2F)cc1-c1nnn[n-]1 ZINC001573876738 950679385 /nfs/dbraw/zinc/67/93/85/950679385.db2.gz UMXCQMRZBWCNTP-UHFFFAOYSA-N -1 3 390.806 3.484 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2nccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC001573876738 950679398 /nfs/dbraw/zinc/67/93/98/950679398.db2.gz UMXCQMRZBWCNTP-UHFFFAOYSA-N -1 3 390.806 3.484 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2F)cc1-c1nnn[n-]1 ZINC001573876984 950686438 /nfs/dbraw/zinc/68/64/38/950686438.db2.gz ZMFYVAVQSIJDTL-ZIAGYGMSSA-N -1 3 376.436 3.446 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2F)cc1-c1nn[n-]n1 ZINC001573876984 950686451 /nfs/dbraw/zinc/68/64/51/950686451.db2.gz ZMFYVAVQSIJDTL-ZIAGYGMSSA-N -1 3 376.436 3.446 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1c(F)cccc1F ZINC001576215842 950716095 /nfs/dbraw/zinc/71/60/95/950716095.db2.gz GPKXUMBAMJVSAQ-WDEREUQCSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1c(F)cccc1F ZINC001576215842 950716107 /nfs/dbraw/zinc/71/61/07/950716107.db2.gz GPKXUMBAMJVSAQ-WDEREUQCSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3cccc4cccnc43)c(-c3nnn[n-]3)cc2C1 ZINC001576216261 950727702 /nfs/dbraw/zinc/72/77/02/950727702.db2.gz HKBUYCYWMYJPHY-GFCCVEGCSA-N -1 3 385.431 3.187 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3cccc4cccnc43)c(-c3nn[n-]n3)cc2C1 ZINC001576216261 950727713 /nfs/dbraw/zinc/72/77/13/950727713.db2.gz HKBUYCYWMYJPHY-GFCCVEGCSA-N -1 3 385.431 3.187 20 0 GGADHM C[C@H]1CCn2cc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCCC4)nc2C1 ZINC001576216310 950728044 /nfs/dbraw/zinc/72/80/44/950728044.db2.gz HSJKFBHXKMPGRN-NSHDSACASA-N -1 3 397.508 3.228 20 0 GGADHM C[C@H]1CCn2cc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCCC4)nc2C1 ZINC001576216310 950728056 /nfs/dbraw/zinc/72/80/56/950728056.db2.gz HSJKFBHXKMPGRN-NSHDSACASA-N -1 3 397.508 3.228 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)n1ccnc1 ZINC001574520644 950742466 /nfs/dbraw/zinc/74/24/66/950742466.db2.gz WBCGXQPQNABIHF-AWEZNQCLSA-N -1 3 389.419 3.445 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)n1ccnc1 ZINC001574520645 950742860 /nfs/dbraw/zinc/74/28/60/950742860.db2.gz WBCGXQPQNABIHF-CQSZACIVSA-N -1 3 389.419 3.445 20 0 GGADHM CC(C)(C)c1ccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC001573881834 950755380 /nfs/dbraw/zinc/75/53/80/950755380.db2.gz IKCGBHLOEUKAHK-UHFFFAOYSA-N -1 3 388.472 3.364 20 0 GGADHM CC(C)(C)c1ccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC001573881834 950755394 /nfs/dbraw/zinc/75/53/94/950755394.db2.gz IKCGBHLOEUKAHK-UHFFFAOYSA-N -1 3 388.472 3.364 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC[C@@]2(C)OCCc3ccccc32)n1 ZINC001573881982 950766154 /nfs/dbraw/zinc/76/61/54/950766154.db2.gz MJMIHMOOLYDGHI-OAQYLSRUSA-N -1 3 378.480 3.459 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC[C@@]2(C)OCCc3ccccc32)n1 ZINC001573881982 950766164 /nfs/dbraw/zinc/76/61/64/950766164.db2.gz MJMIHMOOLYDGHI-OAQYLSRUSA-N -1 3 378.480 3.459 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)CCc3cccc(F)c3F)c(-c3nnn[n-]3)cc2C1 ZINC001576217682 950767283 /nfs/dbraw/zinc/76/72/83/950767283.db2.gz NRSNEIWTJQWCSY-LLVKDONJSA-N -1 3 398.417 3.236 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)CCc3cccc(F)c3F)c(-c3nn[n-]n3)cc2C1 ZINC001576217682 950767302 /nfs/dbraw/zinc/76/73/02/950767302.db2.gz NRSNEIWTJQWCSY-LLVKDONJSA-N -1 3 398.417 3.236 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3F)c(-c3nnn[n-]3)cc2C1 ZINC001576217769 950767669 /nfs/dbraw/zinc/76/76/69/950767669.db2.gz ONQZPXBSEOVVBM-VIFPVBQESA-N -1 3 386.818 3.431 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3F)c(-c3nn[n-]n3)cc2C1 ZINC001576217769 950767683 /nfs/dbraw/zinc/76/76/83/950767683.db2.gz ONQZPXBSEOVVBM-VIFPVBQESA-N -1 3 386.818 3.431 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3F)c(-c3nnn[n-]3)cc2C1 ZINC001576217756 950768132 /nfs/dbraw/zinc/76/81/32/950768132.db2.gz ONQZPXBSEOVVBM-SECBINFHSA-N -1 3 386.818 3.431 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3F)c(-c3nn[n-]n3)cc2C1 ZINC001576217756 950768146 /nfs/dbraw/zinc/76/81/46/950768146.db2.gz ONQZPXBSEOVVBM-SECBINFHSA-N -1 3 386.818 3.431 20 0 GGADHM CC(C)(C)c1coc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n1 ZINC001573884064 950781098 /nfs/dbraw/zinc/78/10/98/950781098.db2.gz FUTMUEHHFCOKTF-UHFFFAOYSA-N -1 3 383.437 3.495 20 0 GGADHM CC(C)(C)c1coc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC001573884064 950781107 /nfs/dbraw/zinc/78/11/07/950781107.db2.gz FUTMUEHHFCOKTF-UHFFFAOYSA-N -1 3 383.437 3.495 20 0 GGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2 ZINC001576218287 950781869 /nfs/dbraw/zinc/78/18/69/950781869.db2.gz QCFKRIVTVAAZIQ-KBPBESRZSA-N -1 3 398.511 3.453 20 0 GGADHM C[C@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2 ZINC001576218287 950781882 /nfs/dbraw/zinc/78/18/82/950781882.db2.gz QCFKRIVTVAAZIQ-KBPBESRZSA-N -1 3 398.511 3.453 20 0 GGADHM CC(C)(C)c1coc(COc2ccc(Br)c(-c3nnn[n-]3)c2)n1 ZINC001573884138 950786710 /nfs/dbraw/zinc/78/67/10/950786710.db2.gz JTBVAUHHIRUCPC-UHFFFAOYSA-N -1 3 378.230 3.494 20 0 GGADHM CC(C)(C)c1coc(COc2ccc(Br)c(-c3nn[n-]n3)c2)n1 ZINC001573884138 950786722 /nfs/dbraw/zinc/78/67/22/950786722.db2.gz JTBVAUHHIRUCPC-UHFFFAOYSA-N -1 3 378.230 3.494 20 0 GGADHM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001574185531 950802509 /nfs/dbraw/zinc/80/25/09/950802509.db2.gz ZTQMDEXUOOEOGF-OAHLLOKOSA-N -1 3 389.456 3.102 20 0 GGADHM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001574185531 950802529 /nfs/dbraw/zinc/80/25/29/950802529.db2.gz ZTQMDEXUOOEOGF-OAHLLOKOSA-N -1 3 389.456 3.102 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4O3)c2-c2nnn[n-]2)C1 ZINC001576219848 950812570 /nfs/dbraw/zinc/81/25/70/950812570.db2.gz VOGVQPVNFFVFHA-XHDPSFHLSA-N -1 3 395.488 3.385 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4O3)c2-c2nn[n-]n2)C1 ZINC001576219848 950812590 /nfs/dbraw/zinc/81/25/90/950812590.db2.gz VOGVQPVNFFVFHA-XHDPSFHLSA-N -1 3 395.488 3.385 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001573885421 950824348 /nfs/dbraw/zinc/82/43/48/950824348.db2.gz WBYVMYVCENHHCF-QXMHVHEDSA-N -1 3 391.475 3.373 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001573885421 950824371 /nfs/dbraw/zinc/82/43/71/950824371.db2.gz WBYVMYVCENHHCF-QXMHVHEDSA-N -1 3 391.475 3.373 20 0 GGADHM CC1(C)C[C@@H](CNc2ccc(-c3nnn[n-]3)c(Br)c2F)CCO1 ZINC001575638380 950826244 /nfs/dbraw/zinc/82/62/44/950826244.db2.gz AQIGOJMIWHCNEY-VIFPVBQESA-N -1 3 384.253 3.385 20 0 GGADHM CC1(C)C[C@@H](CNc2ccc(-c3nn[n-]n3)c(Br)c2F)CCO1 ZINC001575638380 950826267 /nfs/dbraw/zinc/82/62/67/950826267.db2.gz AQIGOJMIWHCNEY-VIFPVBQESA-N -1 3 384.253 3.385 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576220163 950826784 /nfs/dbraw/zinc/82/67/84/950826784.db2.gz VXVLDVADZSXBLM-ADLMAVQZSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576220163 950826822 /nfs/dbraw/zinc/82/68/22/950826822.db2.gz VXVLDVADZSXBLM-ADLMAVQZSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576220172 950827758 /nfs/dbraw/zinc/82/77/58/950827758.db2.gz VXVLDVADZSXBLM-VOJFVSQTSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576220172 950827778 /nfs/dbraw/zinc/82/77/78/950827778.db2.gz VXVLDVADZSXBLM-VOJFVSQTSA-N -1 3 398.417 3.268 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N[C@@H]2COC3(CCC3)C2)c1-c1nnn[n-]1 ZINC001573885551 950834859 /nfs/dbraw/zinc/83/48/59/950834859.db2.gz ZCULHIAGHBNZNG-JTQLQIEISA-N -1 3 376.486 3.059 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N[C@@H]2COC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001573885551 950834880 /nfs/dbraw/zinc/83/48/80/950834880.db2.gz ZCULHIAGHBNZNG-JTQLQIEISA-N -1 3 376.486 3.059 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(NC4CC4)nc3)c2-c2nnn[n-]2)C1 ZINC001576220976 950839786 /nfs/dbraw/zinc/83/97/86/950839786.db2.gz YOQNNUBTAXIIEF-JTQLQIEISA-N -1 3 395.492 3.275 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(NC4CC4)nc3)c2-c2nn[n-]n2)C1 ZINC001576220976 950839803 /nfs/dbraw/zinc/83/98/03/950839803.db2.gz YOQNNUBTAXIIEF-JTQLQIEISA-N -1 3 395.492 3.275 20 0 GGADHM CC1(C)C[C@H](c2ccccc2)CN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001575639380 950863068 /nfs/dbraw/zinc/86/30/68/950863068.db2.gz AFADYJBQFBACSW-KRWDZBQOSA-N -1 3 376.464 3.073 20 0 GGADHM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001575639381 950864000 /nfs/dbraw/zinc/86/40/00/950864000.db2.gz AFADYJBQFBACSW-QGZVFWFLSA-N -1 3 376.464 3.073 20 0 GGADHM CC1(C)CC(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC001575640955 950905137 /nfs/dbraw/zinc/90/51/37/950905137.db2.gz LUGKIVOVEUDADY-UHFFFAOYSA-N -1 3 377.448 3.364 20 0 GGADHM CC1(C)CC(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC001575640955 950905151 /nfs/dbraw/zinc/90/51/51/950905151.db2.gz LUGKIVOVEUDADY-UHFFFAOYSA-N -1 3 377.448 3.364 20 0 GGADHM CC1(C)C[C@@]1(NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC001575641782 950926704 /nfs/dbraw/zinc/92/67/04/950926704.db2.gz QYOZBOOAQQORIB-JOCHJYFZSA-N -1 3 399.458 3.108 20 0 GGADHM CC1(C)C[C@@]1(NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC001575641782 950926721 /nfs/dbraw/zinc/92/67/21/950926721.db2.gz QYOZBOOAQQORIB-JOCHJYFZSA-N -1 3 399.458 3.108 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ocnc1-c1ccccc1 ZINC001573894648 950931277 /nfs/dbraw/zinc/93/12/77/950931277.db2.gz VXJXJYSUPCXQPD-UHFFFAOYSA-N -1 3 377.408 3.331 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ocnc1-c1ccccc1 ZINC001573894648 950931285 /nfs/dbraw/zinc/93/12/85/950931285.db2.gz VXJXJYSUPCXQPD-UHFFFAOYSA-N -1 3 377.408 3.331 20 0 GGADHM CC1(C)C[C@@]1(C)CNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001575643167 950959188 /nfs/dbraw/zinc/95/91/88/950959188.db2.gz YVNYQRJZVVJANF-WBMJQRKESA-N -1 3 382.390 3.206 20 0 GGADHM CC1(C)C[C@@]1(C)CNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001575643167 950959213 /nfs/dbraw/zinc/95/92/13/950959213.db2.gz YVNYQRJZVVJANF-WBMJQRKESA-N -1 3 382.390 3.206 20 0 GGADHM CC1(C)C[C@@]1(NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001575643169 950960502 /nfs/dbraw/zinc/96/05/02/950960502.db2.gz YVTMEBDFPVQBCM-HXUWFJFHSA-N -1 3 380.427 3.130 20 0 GGADHM CC1(C)C[C@@]1(NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001575643169 950960516 /nfs/dbraw/zinc/96/05/16/950960516.db2.gz YVTMEBDFPVQBCM-HXUWFJFHSA-N -1 3 380.427 3.130 20 0 GGADHM CC1(C)C[C@@]1(C)CNC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001575643165 950960848 /nfs/dbraw/zinc/96/08/48/950960848.db2.gz YVNYQRJZVVJANF-LRDDRELGSA-N -1 3 382.390 3.206 20 0 GGADHM CC1(C)C[C@@]1(C)CNC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001575643165 950960866 /nfs/dbraw/zinc/96/08/66/950960866.db2.gz YVNYQRJZVVJANF-LRDDRELGSA-N -1 3 382.390 3.206 20 0 GGADHM O=C([O-])c1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(F)cc1F ZINC000380536647 971705096 /nfs/dbraw/zinc/70/50/96/971705096.db2.gz VDGUFVPULJWERG-ZDUSSCGKSA-N -1 3 375.375 3.059 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000320701298 950998370 /nfs/dbraw/zinc/99/83/70/950998370.db2.gz IMMAAQXMTWMEQT-QGZVFWFLSA-N -1 3 383.286 3.273 20 0 GGADHM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC(C)(C)NC2(C)C ZINC001591088445 951053869 /nfs/dbraw/zinc/05/38/69/951053869.db2.gz SQNPXDHVANHAMS-UHFFFAOYSA-N -1 3 396.509 3.278 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000379421363 951164898 /nfs/dbraw/zinc/16/48/98/951164898.db2.gz KWGUYMCJEAXLJO-RBUKOAKNSA-N -1 3 375.513 3.087 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C12CCCC2 ZINC001591761719 951203804 /nfs/dbraw/zinc/20/38/04/951203804.db2.gz JTLXCGMHSYLNDM-BPQIPLTHSA-N -1 3 376.497 3.408 20 0 GGADHM O=C([O-])c1c(F)ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1F ZINC000381036676 971733145 /nfs/dbraw/zinc/73/31/45/971733145.db2.gz YXZGRKAAHGKQEG-ZDUSSCGKSA-N -1 3 375.375 3.059 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC001595018760 951305294 /nfs/dbraw/zinc/30/52/94/951305294.db2.gz CYAMXMYLBNUHHD-QGZVFWFLSA-N -1 3 395.503 3.360 20 0 GGADHM CCOc1ccc(Cl)cc1CN1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592663465 951348410 /nfs/dbraw/zinc/34/84/10/951348410.db2.gz XVBWTVJKBAAWOY-HIFRSBDPSA-N -1 3 377.872 3.163 20 0 GGADHM CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001602874100 971744000 /nfs/dbraw/zinc/74/40/00/971744000.db2.gz AITCLZXPVISABK-HNNXBMFYSA-N -1 3 394.512 3.428 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCCN(Cc2cccn2C2CC2)C1 ZINC001602883223 971771797 /nfs/dbraw/zinc/77/17/97/971771797.db2.gz XVYZQDMJRONZCG-MRXNPFEDSA-N -1 3 391.512 3.357 20 0 GGADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21)CC(F)(F)F ZINC001575116569 951971674 /nfs/dbraw/zinc/97/16/74/951971674.db2.gz FHGGYHVYMNSPMA-LURJTMIESA-N -1 3 390.291 3.255 20 0 GGADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21)CC(F)(F)F ZINC001575116569 951971678 /nfs/dbraw/zinc/97/16/78/951971678.db2.gz FHGGYHVYMNSPMA-LURJTMIESA-N -1 3 390.291 3.255 20 0 GGADHM C[C@H](CNc1ccc(-c2nnn[n-]2)c(Br)c1)N1CCc2ccccc21 ZINC001575122001 952000405 /nfs/dbraw/zinc/00/04/05/952000405.db2.gz IUCBLXCNJQRRTL-GFCCVEGCSA-N -1 3 399.296 3.492 20 0 GGADHM C[C@H](CNc1ccc(-c2nn[n-]n2)c(Br)c1)N1CCc2ccccc21 ZINC001575122001 952000414 /nfs/dbraw/zinc/00/04/14/952000414.db2.gz IUCBLXCNJQRRTL-GFCCVEGCSA-N -1 3 399.296 3.492 20 0 GGADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(Br)c1)N1CCc2ccccc21 ZINC001575122019 952000823 /nfs/dbraw/zinc/00/08/23/952000823.db2.gz IUCBLXCNJQRRTL-LBPRGKRZSA-N -1 3 399.296 3.492 20 0 GGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Br)c1)N1CCc2ccccc21 ZINC001575122019 952000828 /nfs/dbraw/zinc/00/08/28/952000828.db2.gz IUCBLXCNJQRRTL-LBPRGKRZSA-N -1 3 399.296 3.492 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2CCOc1ccccc1C(=O)[O-] ZINC001602889820 971797192 /nfs/dbraw/zinc/79/71/92/971797192.db2.gz SLZZUBTZAJMBFB-DLBZAZTESA-N -1 3 390.480 3.237 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575179044 952410042 /nfs/dbraw/zinc/41/00/42/952410042.db2.gz SJVBGCFNLDALSR-IFXJQAMLSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575179044 952410049 /nfs/dbraw/zinc/41/00/49/952410049.db2.gz SJVBGCFNLDALSR-IFXJQAMLSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575187286 952439601 /nfs/dbraw/zinc/43/96/01/952439601.db2.gz BPMXIBKJBKRSCF-SNVBAGLBSA-N -1 3 393.344 3.386 20 0 GGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575187286 952439607 /nfs/dbraw/zinc/43/96/07/952439607.db2.gz BPMXIBKJBKRSCF-SNVBAGLBSA-N -1 3 393.344 3.386 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC001575187322 952440437 /nfs/dbraw/zinc/44/04/37/952440437.db2.gz BKDSAFNYBJNUIM-AWEZNQCLSA-N -1 3 387.447 3.085 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC001575187322 952440443 /nfs/dbraw/zinc/44/04/43/952440443.db2.gz BKDSAFNYBJNUIM-AWEZNQCLSA-N -1 3 387.447 3.085 20 0 GGADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001575187596 952442304 /nfs/dbraw/zinc/44/23/04/952442304.db2.gz DIUWRJQRQJKZJM-SECBINFHSA-N -1 3 392.246 3.240 20 0 GGADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001575187596 952442307 /nfs/dbraw/zinc/44/23/07/952442307.db2.gz DIUWRJQRQJKZJM-SECBINFHSA-N -1 3 392.246 3.240 20 0 GGADHM C[C@@H](Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001575188632 952449999 /nfs/dbraw/zinc/44/99/99/952449999.db2.gz KIRMYYSISPHQRQ-HNNXBMFYSA-N -1 3 384.443 3.290 20 0 GGADHM C[C@@H](Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001575188632 952450002 /nfs/dbraw/zinc/45/00/02/952450002.db2.gz KIRMYYSISPHQRQ-HNNXBMFYSA-N -1 3 384.443 3.290 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001575189265 952454150 /nfs/dbraw/zinc/45/41/50/952454150.db2.gz NFHBBEYJPSOKSB-CDHQVMDDSA-N -1 3 375.476 3.498 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001575189265 952454155 /nfs/dbraw/zinc/45/41/55/952454155.db2.gz NFHBBEYJPSOKSB-CDHQVMDDSA-N -1 3 375.476 3.498 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCC2 ZINC001575189272 952455100 /nfs/dbraw/zinc/45/51/00/952455100.db2.gz NIHWSJGNFFTOEE-LSDHHAIUSA-N -1 3 375.476 3.411 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC2 ZINC001575189272 952455102 /nfs/dbraw/zinc/45/51/02/952455102.db2.gz NIHWSJGNFFTOEE-LSDHHAIUSA-N -1 3 375.476 3.411 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC001575190598 952464349 /nfs/dbraw/zinc/46/43/49/952464349.db2.gz TZZSPKFVVSDMNA-CQSZACIVSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC001575190598 952464352 /nfs/dbraw/zinc/46/43/52/952464352.db2.gz TZZSPKFVVSDMNA-CQSZACIVSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001575190902 952465455 /nfs/dbraw/zinc/46/54/55/952465455.db2.gz UREFZSDNDJQERN-ZNZDAUKMSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001575190902 952465456 /nfs/dbraw/zinc/46/54/56/952465456.db2.gz UREFZSDNDJQERN-ZNZDAUKMSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC001575191886 952469699 /nfs/dbraw/zinc/46/96/99/952469699.db2.gz ZMIMNYHRKPTRCX-SNVBAGLBSA-N -1 3 391.353 3.425 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC001575191886 952469700 /nfs/dbraw/zinc/46/97/00/952469700.db2.gz ZMIMNYHRKPTRCX-SNVBAGLBSA-N -1 3 391.353 3.425 20 0 GGADHM C[C@](Cc1ccccc1)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001575191965 952471099 /nfs/dbraw/zinc/47/10/99/952471099.db2.gz ZSWUVKOOZJTFDX-OAQYLSRUSA-N -1 3 393.516 3.486 20 0 GGADHM C[C@](Cc1ccccc1)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001575191965 952471104 /nfs/dbraw/zinc/47/11/04/952471104.db2.gz ZSWUVKOOZJTFDX-OAQYLSRUSA-N -1 3 393.516 3.486 20 0 GGADHM C[C@H](Cc1cncc2ccccc21)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001575200321 952494658 /nfs/dbraw/zinc/49/46/58/952494658.db2.gz IEZXDYJSZCCGCZ-CQSZACIVSA-N -1 3 384.443 3.136 20 0 GGADHM C[C@H](Cc1cncc2ccccc21)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001575200321 952494660 /nfs/dbraw/zinc/49/46/60/952494660.db2.gz IEZXDYJSZCCGCZ-CQSZACIVSA-N -1 3 384.443 3.136 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001602911428 971859444 /nfs/dbraw/zinc/85/94/44/971859444.db2.gz QFTUNNMVDWOOHT-PMPSAXMXSA-N -1 3 392.496 3.181 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001602911427 971859472 /nfs/dbraw/zinc/85/94/72/971859472.db2.gz QFTUNNMVDWOOHT-OAGGEKHMSA-N -1 3 392.496 3.181 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424262070 953441550 /nfs/dbraw/zinc/44/15/50/953441550.db2.gz PYQNPIZXWBOYFK-WMZOPIPTSA-N -1 3 376.497 3.372 20 0 GGADHM O=C([O-])C[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000533189491 953567813 /nfs/dbraw/zinc/56/78/13/953567813.db2.gz ADUGYNQHZYXYCQ-APWZRJJASA-N -1 3 398.425 3.154 20 0 GGADHM O=C([O-])C[C@H]1CCCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000533203288 953569918 /nfs/dbraw/zinc/56/99/18/953569918.db2.gz VNQCNUZKZREKEO-OAHLLOKOSA-N -1 3 398.425 3.383 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000560922509 953588944 /nfs/dbraw/zinc/58/89/44/953588944.db2.gz LVYCQBHTVFCIEC-UYAOXDASSA-N -1 3 387.524 3.356 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000560922504 953589464 /nfs/dbraw/zinc/58/94/64/953589464.db2.gz LVYCQBHTVFCIEC-AZUAARDMSA-N -1 3 387.524 3.356 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000560922508 953589476 /nfs/dbraw/zinc/58/94/76/953589476.db2.gz LVYCQBHTVFCIEC-QUCCMNQESA-N -1 3 387.524 3.356 20 0 GGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000576039848 953687362 /nfs/dbraw/zinc/68/73/62/953687362.db2.gz QISZRIRQYFKLKK-HKUYNNGSSA-N -1 3 396.487 3.067 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000582306348 953723088 /nfs/dbraw/zinc/72/30/88/953723088.db2.gz MLBSXFSQDCKDNC-AVRDEDQJSA-N -1 3 393.443 3.249 20 0 GGADHM O=C([O-])c1ccnc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000623102687 953797489 /nfs/dbraw/zinc/79/74/89/953797489.db2.gz AZTVEZVHMPANRE-GOSISDBHSA-N -1 3 393.365 3.173 20 0 GGADHM CCn1c(CNCCC(C)(C)C(=O)[O-])nc(Br)c1Br ZINC001593661233 953804339 /nfs/dbraw/zinc/80/43/39/953804339.db2.gz ZEMWCHXEFIAZMT-UHFFFAOYSA-N -1 3 397.111 3.019 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635019920 953873032 /nfs/dbraw/zinc/87/30/32/953873032.db2.gz FIIQXGAJECBQJX-AOMKIAJQSA-N -1 3 398.459 3.229 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635019923 953873590 /nfs/dbraw/zinc/87/35/90/953873590.db2.gz FIIQXGAJECBQJX-ZHRRBRCNSA-N -1 3 398.459 3.229 20 0 GGADHM C[C@@H]1CCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001589341281 954023712 /nfs/dbraw/zinc/02/37/12/954023712.db2.gz UESRHJAHGZRDBZ-XLIONFOSSA-N -1 3 395.503 3.118 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593695200 954065747 /nfs/dbraw/zinc/06/57/47/954065747.db2.gz HJHOFWRZQJPQCL-QGZVFWFLSA-N -1 3 375.856 3.392 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001593695903 954075312 /nfs/dbraw/zinc/07/53/12/954075312.db2.gz UVOBLZWPIJGJBY-OAHLLOKOSA-N -1 3 396.369 3.223 20 0 GGADHM Cc1ccc(Cl)c(OC[C@@H](O)CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000652469877 954086803 /nfs/dbraw/zinc/08/68/03/954086803.db2.gz HNRDAVUFRQLSAG-DOTOQJQBSA-N -1 3 375.852 3.072 20 0 GGADHM Cn1ccnc1COc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000652471007 954088369 /nfs/dbraw/zinc/08/83/69/954088369.db2.gz QCIXQLRPYGVAMI-HXUWFJFHSA-N -1 3 377.444 3.183 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(I)cc1)c1ccc(F)cc1 ZINC001594843182 954099626 /nfs/dbraw/zinc/09/96/26/954099626.db2.gz JFOMTKCHXCSLIF-AWEZNQCLSA-N -1 3 385.176 3.346 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC001589353446 954104289 /nfs/dbraw/zinc/10/42/89/954104289.db2.gz QSDBDPUPBMGXPU-PMPSAXMXSA-N -1 3 379.526 3.074 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC001589353691 954108997 /nfs/dbraw/zinc/10/89/97/954108997.db2.gz WTDVDUVNGREMQW-VOQZNFBZSA-N -1 3 392.499 3.203 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(I)s1)c1ccc(F)cc1 ZINC001594844880 954130154 /nfs/dbraw/zinc/13/01/54/954130154.db2.gz YFZJCZINMUJGRI-GFCCVEGCSA-N -1 3 391.205 3.407 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NC[C@H](C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000655864918 954250065 /nfs/dbraw/zinc/25/00/65/954250065.db2.gz HRWDHIYGIPPSJE-SWLSCSKDSA-N -1 3 389.418 3.108 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902126 954283413 /nfs/dbraw/zinc/28/34/13/954283413.db2.gz IUJUKXPCGQUCAH-ZFVVBOAOSA-N -1 3 395.931 3.377 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655903960 954286457 /nfs/dbraw/zinc/28/64/57/954286457.db2.gz GABBEHZHCWGEMI-YTQUADARSA-N -1 3 389.540 3.204 20 0 GGADHM C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908617 954292946 /nfs/dbraw/zinc/29/29/46/954292946.db2.gz YYPQNRCHIKUUQZ-BPQIPLTHSA-N -1 3 379.545 3.029 20 0 GGADHM CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000659755065 954357676 /nfs/dbraw/zinc/35/76/76/954357676.db2.gz VFJANRFJOYDQDH-FXAWDEMLSA-N -1 3 396.487 3.448 20 0 GGADHM CN(Cc1c(C(=O)[O-])cnn1C)CC1(c2ccc(Br)cc2)CC1 ZINC001593756752 954457326 /nfs/dbraw/zinc/45/73/26/954457326.db2.gz FDRCXRUAHVXYAT-UHFFFAOYSA-N -1 3 378.270 3.044 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000663356389 954540799 /nfs/dbraw/zinc/54/07/99/954540799.db2.gz NPEIZRICDYWUFO-UHFFFAOYSA-N -1 3 395.887 3.189 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000666548040 954556113 /nfs/dbraw/zinc/55/61/13/954556113.db2.gz ZILSZSNOJMSKOD-FQEVSTJZSA-N -1 3 399.491 3.274 20 0 GGADHM O=C([O-])[C@H]1C[C@H](NCc2cnc3ccc(Br)cn23)c2ccccc21 ZINC001594899283 954606076 /nfs/dbraw/zinc/60/60/76/954606076.db2.gz CSSYCZOZRDDQRC-HOTGVXAUSA-N -1 3 386.249 3.500 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCC3([C@@H](O)c4ccccc4)CC3)o2)C1 ZINC001594913829 954719465 /nfs/dbraw/zinc/71/94/65/954719465.db2.gz BPLBSSUYIYFVPR-XLIONFOSSA-N -1 3 384.476 3.184 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc(Cl)c(F)c3)o2)C1 ZINC001594913635 954720346 /nfs/dbraw/zinc/72/03/46/954720346.db2.gz BLBPNLWZTMDNMJ-SUMWQHHRSA-N -1 3 396.846 3.196 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H](CO)c3ccc(Cl)cc3)o2)C1 ZINC001594913571 954720436 /nfs/dbraw/zinc/72/04/36/954720436.db2.gz ARLYZXSJOUQHNS-HOTGVXAUSA-N -1 3 392.883 3.100 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H](CO)c3ccc(Cl)cc3)o2)C1 ZINC001594913573 954720595 /nfs/dbraw/zinc/72/05/95/954720595.db2.gz ARLYZXSJOUQHNS-HZPDHXFCSA-N -1 3 392.883 3.100 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@H]3CSc4ccccc4O3)o2)C1 ZINC001594914777 954734631 /nfs/dbraw/zinc/73/46/31/954734631.db2.gz INHTVNWZRMFCOH-HOCLYGCPSA-N -1 3 388.489 3.224 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCCOc3ccccc3F)o2)C1 ZINC001594915242 954740454 /nfs/dbraw/zinc/74/04/54/954740454.db2.gz JHHTWCPQXZNZDQ-OAHLLOKOSA-N -1 3 376.428 3.278 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594915302 954742493 /nfs/dbraw/zinc/74/24/93/954742493.db2.gz KIUXUMOMLGOSCM-HOTGVXAUSA-N -1 3 389.521 3.492 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[C@](O)(c4ccccc4)C3)o2)C1 ZINC001594915693 954749576 /nfs/dbraw/zinc/74/95/76/954749576.db2.gz KNKGGSVQGWCXFT-HTAPYJJXSA-N -1 3 384.476 3.064 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc(Cl)cc3)o2)C1 ZINC001594916658 954760402 /nfs/dbraw/zinc/76/04/02/954760402.db2.gz OUAILKAYFOMMNL-RHSMWYFYSA-N -1 3 378.856 3.057 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc(Cl)cc3)o2)C1 ZINC001594916659 954760423 /nfs/dbraw/zinc/76/04/23/954760423.db2.gz OUAILKAYFOMMNL-WMLDXEAASA-N -1 3 378.856 3.057 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN(CCO)[C@@H]3CCCc4ccccc43)o2)C1 ZINC001594917846 954775766 /nfs/dbraw/zinc/77/57/66/954775766.db2.gz QKBATGHETYZNEH-GHTZIAJQSA-N -1 3 398.503 3.453 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594918518 954782642 /nfs/dbraw/zinc/78/26/42/954782642.db2.gz UECQHNDVVGDRPK-LSDHHAIUSA-N -1 3 375.494 3.102 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589462501 954863474 /nfs/dbraw/zinc/86/34/74/954863474.db2.gz GNMPYLPTASEOIW-OKDNKWQNSA-N -1 3 385.464 3.321 20 0 GGADHM CC(C)[C@@H]1N(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002830 972050489 /nfs/dbraw/zinc/05/04/89/972050489.db2.gz NATWMONZLFOHPC-APWZRJJASA-N -1 3 376.497 3.218 20 0 GGADHM COC(=O)[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)CC1CCCC1 ZINC001593810242 954928217 /nfs/dbraw/zinc/92/82/17/954928217.db2.gz FZYKGICLOKCJNH-SJORKVTESA-N -1 3 392.496 3.040 20 0 GGADHM O=C([O-])[C@H]1CN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001594953175 954965133 /nfs/dbraw/zinc/96/51/33/954965133.db2.gz CFKLAFXUDRSHOL-QAPCUYQASA-N -1 3 396.270 3.417 20 0 GGADHM O=C([O-])[C@H]1CN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001594953177 954965645 /nfs/dbraw/zinc/96/56/45/954965645.db2.gz CFKLAFXUDRSHOL-YJBOKZPZSA-N -1 3 396.270 3.417 20 0 GGADHM COC(=O)C1CC2(C1)CN(Cc1cc3ccnc(Cl)c3s1)C[C@H]2C(=O)[O-] ZINC001593825124 955094962 /nfs/dbraw/zinc/09/49/62/955094962.db2.gz XXVXLTQKBTYPFW-HLZQHVJHSA-N -1 3 394.880 3.036 20 0 GGADHM COC(=O)C1CC2(C1)CN(Cc1cc3ccnc(Cl)c3s1)C[C@@H]2C(=O)[O-] ZINC001593825128 955095419 /nfs/dbraw/zinc/09/54/19/955095419.db2.gz XXVXLTQKBTYPFW-NOBQPIJMSA-N -1 3 394.880 3.036 20 0 GGADHM CC[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001589551771 955221777 /nfs/dbraw/zinc/22/17/77/955221777.db2.gz DPKAOVOITBEWJP-GJZGRUSLSA-N -1 3 380.485 3.038 20 0 GGADHM CC[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)C(=O)OC(C)(C)C ZINC001589552181 955224862 /nfs/dbraw/zinc/22/48/62/955224862.db2.gz LKOGBGOXVMXGQD-AWEZNQCLSA-N -1 3 380.485 3.038 20 0 GGADHM COC(=O)CCN(CC(=O)[O-])Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001593841337 955368146 /nfs/dbraw/zinc/36/81/46/955368146.db2.gz WJCBRPXPGCMEQQ-UHFFFAOYSA-N -1 3 397.349 3.346 20 0 GGADHM COC(=O)c1ccc(Br)c(CN[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001593876306 955674601 /nfs/dbraw/zinc/67/46/01/955674601.db2.gz SZIACHGOWQCBKZ-MRXNPFEDSA-N -1 3 392.249 3.021 20 0 GGADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000844838304 955679153 /nfs/dbraw/zinc/67/91/53/955679153.db2.gz KSMGZYRDOFGGGM-OCCSQVGLSA-N -1 3 384.398 3.164 20 0 GGADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000844838303 955680892 /nfs/dbraw/zinc/68/08/92/955680892.db2.gz KSMGZYRDOFGGGM-JSGCOSHPSA-N -1 3 384.398 3.164 20 0 GGADHM COC(=O)c1ccc(CNCc2cccc(C(=O)[O-])c2)cc1Br ZINC001593880308 955701450 /nfs/dbraw/zinc/70/14/50/955701450.db2.gz ZWKWYHCDDGRALA-UHFFFAOYSA-N -1 3 378.222 3.224 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)N(C)C)cc1 ZINC001603054514 972121895 /nfs/dbraw/zinc/12/18/95/972121895.db2.gz XNHJVHPUXMCQLM-OAQYLSRUSA-N -1 3 398.503 3.381 20 0 GGADHM C[C@H](c1cccc(Br)c1)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873643930 956076418 /nfs/dbraw/zinc/07/64/18/956076418.db2.gz ACDQJUQBCGKKCW-YUELXQCFSA-N -1 3 392.297 3.434 20 0 GGADHM C[C@H](c1cccc(Br)c1)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000873643927 956079081 /nfs/dbraw/zinc/07/90/81/956079081.db2.gz ACDQJUQBCGKKCW-SNPRPXQTSA-N -1 3 392.297 3.434 20 0 GGADHM O=C([O-])c1ccccc1CNCc1cc2ccccc2nc1N1CCOCC1 ZINC000874043346 956101686 /nfs/dbraw/zinc/10/16/86/956101686.db2.gz MZKYBHCDRRFVFD-UHFFFAOYSA-N -1 3 377.444 3.059 20 0 GGADHM O=C([O-])c1ccccc1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000874388111 956134797 /nfs/dbraw/zinc/13/47/97/956134797.db2.gz MHKJGWNEWGUPIB-IBGZPJMESA-N -1 3 381.476 3.239 20 0 GGADHM C[C@](NCc1cccc(C(=O)NCc2ccco2)c1)(C(=O)[O-])c1ccccc1 ZINC001589131105 956190715 /nfs/dbraw/zinc/19/07/15/956190715.db2.gz AONRYQRGHOFVGP-JOCHJYFZSA-N -1 3 378.428 3.299 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000874415790 956200825 /nfs/dbraw/zinc/20/08/25/956200825.db2.gz WOPIAJKSUQIRKY-KDURUIRLSA-N -1 3 385.508 3.080 20 0 GGADHM C[C@](O)(CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc(Cl)c1 ZINC001589147160 956303304 /nfs/dbraw/zinc/30/33/04/956303304.db2.gz PFUYCBSEQVVDCT-VLIAUNLRSA-N -1 3 392.883 3.231 20 0 GGADHM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000901607466 956372836 /nfs/dbraw/zinc/37/28/36/956372836.db2.gz AZLHZRYWTLMEHQ-UHFFFAOYSA-N -1 3 386.536 3.291 20 0 GGADHM C[C@@H](OCCCNC(=O)CNC1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC001589162421 956422516 /nfs/dbraw/zinc/42/25/16/956422516.db2.gz OKAYGNKIFXKZGN-QGZVFWFLSA-N -1 3 376.497 3.038 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(CC2(O)CCC(C(=O)[O-])CC2)CC1 ZINC001589174683 956483651 /nfs/dbraw/zinc/48/36/51/956483651.db2.gz NZYZJMXWVBTMBP-XRTORIHISA-N -1 3 380.916 3.025 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001593966323 956545531 /nfs/dbraw/zinc/54/55/31/956545531.db2.gz HVJZASJUSGBKHT-SBUREZEXSA-N -1 3 396.487 3.028 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000901950876 956563251 /nfs/dbraw/zinc/56/32/51/956563251.db2.gz RQDLXYSPDOVWTK-OAGGEKHMSA-N -1 3 386.414 3.315 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(OC)c1 ZINC000901968191 956574537 /nfs/dbraw/zinc/57/45/37/956574537.db2.gz AWVFPHWWWBYUAB-JBVUFVISSA-N -1 3 386.448 3.199 20 0 GGADHM CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(OC)c1 ZINC000901970367 956578100 /nfs/dbraw/zinc/57/81/00/956578100.db2.gz ZCLQHQYQVUMNFA-NCUBBLFSSA-N -1 3 386.448 3.199 20 0 GGADHM C[C@H](C(=O)NCc1ccccc1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000902368900 956711125 /nfs/dbraw/zinc/71/11/25/956711125.db2.gz VIGZNWWPAKADPP-QGZVFWFLSA-N -1 3 380.488 3.344 20 0 GGADHM C[C@@H](C(=O)NCc1ccccc1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000902368899 956711190 /nfs/dbraw/zinc/71/11/90/956711190.db2.gz VIGZNWWPAKADPP-KRWDZBQOSA-N -1 3 380.488 3.344 20 0 GGADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000902695110 956771457 /nfs/dbraw/zinc/77/14/57/956771457.db2.gz WMDFUVCZRSMRKN-FQEVSTJZSA-N -1 3 396.487 3.277 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1ccccc1Br)C[C@H]2C(=O)[O-] ZINC000903415885 956844330 /nfs/dbraw/zinc/84/43/30/956844330.db2.gz MACRGPYORAMICG-FDUVVUAFSA-N -1 3 396.281 3.096 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@H](C)c1ccc(Br)cc1)C[C@@H]2C(=O)[O-] ZINC000903416064 956845758 /nfs/dbraw/zinc/84/57/58/956845758.db2.gz NWNPJFIRYQDHLZ-XDCZEYRVSA-N -1 3 396.281 3.096 20 0 GGADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc(C(=O)[O-])s2)C1=O ZINC000903689508 956867970 /nfs/dbraw/zinc/86/79/70/956867970.db2.gz IXTRSHYUKQAWSE-LRDDRELGSA-N -1 3 376.453 3.427 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCC2 ZINC000904195092 956925155 /nfs/dbraw/zinc/92/51/55/956925155.db2.gz IVTSJDTXYFZOGR-ZWKOTPCHSA-N -1 3 376.497 3.360 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNCCc3ccc(F)c(F)c3F)o2)CC1 ZINC000904230963 956926473 /nfs/dbraw/zinc/92/64/73/956926473.db2.gz CJZYQPFIUNHXMV-UHFFFAOYSA-N -1 3 382.382 3.330 20 0 GGADHM C[C@@](O)(CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1Cl ZINC000904232095 956929407 /nfs/dbraw/zinc/92/94/07/956929407.db2.gz QOLILNYFLRRZGX-HXUWFJFHSA-N -1 3 392.883 3.231 20 0 GGADHM COc1cccc([C@H](CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)OC)c1 ZINC000904253515 956943100 /nfs/dbraw/zinc/94/31/00/956943100.db2.gz QJSRXMYGIQUOCC-IBGZPJMESA-N -1 3 388.464 3.067 20 0 GGADHM CC1(C)CCC[C@](O)(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC1 ZINC000904255532 956945678 /nfs/dbraw/zinc/94/56/78/956945678.db2.gz XEAKSVQNCPPUMH-OAQYLSRUSA-N -1 3 378.513 3.392 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000911235979 957058268 /nfs/dbraw/zinc/05/82/68/957058268.db2.gz IVKQAEISESOHLF-UHFFFAOYSA-N -1 3 395.503 3.025 20 0 GGADHM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911774993 957091642 /nfs/dbraw/zinc/09/16/42/957091642.db2.gz UQLOSGVKWWKRFA-HBMCJLEFSA-N -1 3 398.478 3.267 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000923469321 957116075 /nfs/dbraw/zinc/11/60/75/957116075.db2.gz DULSHFVOXKEVOD-YJBOKZPZSA-N -1 3 384.398 3.388 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000923469311 957116123 /nfs/dbraw/zinc/11/61/23/957116123.db2.gz DULSHFVOXKEVOD-CRAIPNDOSA-N -1 3 384.398 3.388 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000923470583 957118877 /nfs/dbraw/zinc/11/88/77/957118877.db2.gz MOVHFAZMLJMDJM-JLTOFOAXSA-N -1 3 389.521 3.220 20 0 GGADHM CCOC(=O)c1ccc2c(c1)nc(CN1CCC[C@](CC)(C(=O)[O-])C1)n2CC ZINC000923472976 957123601 /nfs/dbraw/zinc/12/36/01/957123601.db2.gz XXBKMBRTASTEKL-NRFANRHFSA-N -1 3 387.480 3.310 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)N2CCCC2)cc1 ZINC001121809978 957207201 /nfs/dbraw/zinc/20/72/01/957207201.db2.gz BQZIVOAWZOLEPI-AZUAARDMSA-N -1 3 387.524 3.418 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)N2CCCC2)cc1 ZINC001121809979 957207662 /nfs/dbraw/zinc/20/76/62/957207662.db2.gz BQZIVOAWZOLEPI-ICSRJNTNSA-N -1 3 387.524 3.418 20 0 GGADHM Cc1cc(Br)cn2c(CN[C@@](C)(C(=O)[O-])c3ccccc3)cnc12 ZINC001594273448 957688590 /nfs/dbraw/zinc/68/85/90/957688590.db2.gz LRFCPQPBXXXECM-GOSISDBHSA-N -1 3 388.265 3.495 20 0 GGADHM O=C([O-])c1c2c(sc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F)COCC2 ZINC001574788429 957795498 /nfs/dbraw/zinc/79/54/98/957795498.db2.gz RRKHQUSFNFQOQR-SCZZXKLOSA-N -1 3 393.383 3.205 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1ccccc1F ZINC001603192069 972293321 /nfs/dbraw/zinc/29/33/21/972293321.db2.gz FBZSMDZOCYBPDK-HUUCEWRRSA-N -1 3 376.428 3.277 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC001338610863 957850246 /nfs/dbraw/zinc/85/02/46/957850246.db2.gz ZQSRRAORMALZRV-XLIONFOSSA-N -1 3 393.553 3.298 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001339824149 957889072 /nfs/dbraw/zinc/88/90/72/957889072.db2.gz YYWWAMHDFMQHQN-ROUUACIJSA-N -1 3 387.505 3.135 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC001339925555 957902864 /nfs/dbraw/zinc/90/28/64/957902864.db2.gz JJLSFJCYFWWKHI-QAJUQPOASA-N -1 3 393.487 3.262 20 0 GGADHM O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001339938038 957905257 /nfs/dbraw/zinc/90/52/57/957905257.db2.gz DQBWINDVANLUAO-VQTJNVASSA-N -1 3 387.524 3.470 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccc21 ZINC001339945305 957909816 /nfs/dbraw/zinc/90/98/16/957909816.db2.gz JJVUXTYATMENPO-RTWAWAEBSA-N -1 3 393.487 3.217 20 0 GGADHM Cc1cc(N2CCC[C@@H](N3CCC(C(=O)[O-])CC3)C2=O)ccc1Br ZINC001594312021 958041110 /nfs/dbraw/zinc/04/11/10/958041110.db2.gz UMJVYBLANQYRGA-MRXNPFEDSA-N -1 3 395.297 3.050 20 0 GGADHM CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001353155804 958151013 /nfs/dbraw/zinc/15/10/13/958151013.db2.gz MRNUDKDVGXDXCA-JRGCBEDISA-N -1 3 393.487 3.216 20 0 GGADHM C[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)N(C)Cc1ccccc1 ZINC001357173239 958188488 /nfs/dbraw/zinc/18/84/88/958188488.db2.gz OASGJBNLUZTJOZ-XPGWFJOJSA-N -1 3 381.476 3.119 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594080378 958256439 /nfs/dbraw/zinc/25/64/39/958256439.db2.gz GHNWEYSPBORGAN-IBGZPJMESA-N -1 3 385.464 3.137 20 0 GGADHM Cc1ccc([C@H](NC(=O)CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001594350512 958348621 /nfs/dbraw/zinc/34/86/21/958348621.db2.gz DIMWJPDNZNRLGJ-XJUOHMSHSA-N -1 3 392.499 3.363 20 0 GGADHM Cc1ccc(CN(C(=O)CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001594358734 958429094 /nfs/dbraw/zinc/42/90/94/958429094.db2.gz FOGVOGYFUABSRU-FCHUYYIVSA-N -1 3 392.499 3.286 20 0 GGADHM Cc1ccc(CN2CC[C@@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360355 958444399 /nfs/dbraw/zinc/44/43/99/958444399.db2.gz VQGDKJSDIGGJLG-WOJBJXKFSA-N -1 3 397.519 3.253 20 0 GGADHM COc1cccc(OCCCNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC001594131335 958672699 /nfs/dbraw/zinc/67/26/99/958672699.db2.gz BLORLAMILZXWMR-MRXNPFEDSA-N -1 3 388.464 3.148 20 0 GGADHM COc1ccccc1[C@H](C)N(C)C(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594140182 958731471 /nfs/dbraw/zinc/73/14/71/958731471.db2.gz COVLJOJLYXZYKY-FFZOFVMBSA-N -1 3 396.487 3.015 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406873 958735116 /nfs/dbraw/zinc/73/51/16/958735116.db2.gz HVCANTXQVUTGSE-YCRPNKLZSA-N -1 3 376.472 3.269 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406872 958735484 /nfs/dbraw/zinc/73/54/84/958735484.db2.gz HVCANTXQVUTGSE-VFNWGFHPSA-N -1 3 376.472 3.269 20 0 GGADHM Cc1cccc([C@@H](NCCN2c3cccc4cccc(c34)S2(=O)=O)C(=O)[O-])c1 ZINC001594397271 958779254 /nfs/dbraw/zinc/77/92/54/958779254.db2.gz GXLRYFXPHGQIBW-HXUWFJFHSA-N -1 3 396.468 3.072 20 0 GGADHM CC(=O)c1ccccc1NC(=O)CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588533590 958908470 /nfs/dbraw/zinc/90/84/70/958908470.db2.gz GBRFLQMMMQPKGV-IBGZPJMESA-N -1 3 380.444 3.292 20 0 GGADHM C[C@@H](C(=O)N1CCSc2ccccc21)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588550921 959016287 /nfs/dbraw/zinc/01/62/87/959016287.db2.gz HMPKDHHWQKZRGA-RYQLBKOJSA-N -1 3 396.512 3.314 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)N(C)C)cc1 ZINC001594195224 959191077 /nfs/dbraw/zinc/19/10/77/959191077.db2.gz SFSWUKHZJWUAPE-OAHLLOKOSA-N -1 3 378.538 3.264 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573554955 959251466 /nfs/dbraw/zinc/25/14/66/959251466.db2.gz PTHGXYXHKSBJCD-ANGAQGJPSA-N -1 3 386.448 3.197 20 0 GGADHM CC(C)(C)OC(=O)C1(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CCC1 ZINC001588668053 960474855 /nfs/dbraw/zinc/47/48/55/960474855.db2.gz WOEXWVKKPSTPTQ-UHFFFAOYSA-N -1 3 392.496 3.182 20 0 GGADHM CSc1cccc(N(C(=O)c2ccc(C(=O)[O-])cn2)C2CCN(C)CC2)c1 ZINC001574258023 960552538 /nfs/dbraw/zinc/55/25/38/960552538.db2.gz SQLOWFMQNOLTKD-UHFFFAOYSA-N -1 3 385.489 3.243 20 0 GGADHM C[C@@H](COc1c(F)cccc1F)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001574260015 960564846 /nfs/dbraw/zinc/56/48/46/960564846.db2.gz VUYAWYQHOZYTDZ-KBPBESRZSA-N -1 3 394.418 3.416 20 0 GGADHM CN(C[C@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001231789269 960619607 /nfs/dbraw/zinc/61/96/07/960619607.db2.gz KNFPDQXWXMZMMC-MRXNPFEDSA-N -1 3 392.496 3.229 20 0 GGADHM CN(C[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001231789268 960620269 /nfs/dbraw/zinc/62/02/69/960620269.db2.gz KNFPDQXWXMZMMC-INIZCTEOSA-N -1 3 392.496 3.229 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CC[C@H]21 ZINC001238234895 960632252 /nfs/dbraw/zinc/63/22/52/960632252.db2.gz ZEMCNFIQOOPQIH-WMLDXEAASA-N -1 3 378.444 3.355 20 0 GGADHM CC[C@@H](C)N[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccco1 ZINC001573776107 960681810 /nfs/dbraw/zinc/68/18/10/960681810.db2.gz HLXTTWPOGGDSDR-QXCFHYIPSA-N -1 3 399.491 3.219 20 0 GGADHM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001573785734 960736621 /nfs/dbraw/zinc/73/66/21/960736621.db2.gz XNKYPEVJQZCDJE-GOSISDBHSA-N -1 3 398.507 3.468 20 0 GGADHM COc1cc(CN[C@](C)(C(=O)[O-])c2ccccc2)cc(OC)c1OCC(F)F ZINC001262157963 960793561 /nfs/dbraw/zinc/79/35/61/960793561.db2.gz UHAYXJVYZISKFN-FQEVSTJZSA-N -1 3 395.402 3.437 20 0 GGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC001262181743 960840426 /nfs/dbraw/zinc/84/04/26/960840426.db2.gz WHGZXWSCBOFDAR-NYYVNYEXSA-N -1 3 385.508 3.148 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC001262181744 960840882 /nfs/dbraw/zinc/84/08/82/960840882.db2.gz WHGZXWSCBOFDAR-XDGVHFHYSA-N -1 3 385.508 3.148 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccsc1 ZINC001263061128 960854899 /nfs/dbraw/zinc/85/48/99/960854899.db2.gz HPOPSTFXFOWXRU-DOTOQJQBSA-N -1 3 381.542 3.417 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccsc1 ZINC001263061131 960857386 /nfs/dbraw/zinc/85/73/86/960857386.db2.gz HPOPSTFXFOWXRU-WBVHZDCISA-N -1 3 381.542 3.417 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc3cccnc3c2)CCCN(Cc2ccccc2)C1 ZINC001263629663 960874780 /nfs/dbraw/zinc/87/47/80/960874780.db2.gz KXEQKSNQUNFTKJ-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM C/C(=C/C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC001263629938 960876266 /nfs/dbraw/zinc/87/62/66/960876266.db2.gz VCSXSSRFPLKEAY-QTIWRUEGSA-N -1 3 384.501 3.387 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(CCC2(C(=O)[O-])CCC2)C[C@H]1C(F)(F)F ZINC001588726063 961049356 /nfs/dbraw/zinc/04/93/56/961049356.db2.gz WQPZQGZMGVJQCJ-VXGBXAGGSA-N -1 3 380.407 3.019 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)C1(CC(=O)[O-])CCOCC1)c1ccc(Cl)cc1 ZINC001573849633 961133248 /nfs/dbraw/zinc/13/32/48/961133248.db2.gz ZHSHNPIXZRAQTD-KRWDZBQOSA-N -1 3 396.915 3.111 20 0 GGADHM O=C([O-])[C@@H]1CN(CCOCCOc2ccccc2)C[C@H]1c1ccc(F)cc1F ZINC001327368855 961158947 /nfs/dbraw/zinc/15/89/47/961158947.db2.gz QQVXYYVFQANKEC-RBUKOAKNSA-N -1 3 391.414 3.160 20 0 GGADHM CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C[C@@H](O)c1ccc(C)cc1 ZINC001573881789 961282871 /nfs/dbraw/zinc/28/28/71/961282871.db2.gz YHNBNZHLRXJBRN-UYAOXDASSA-N -1 3 386.492 3.445 20 0 GGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001332179212 961514605 /nfs/dbraw/zinc/51/46/05/961514605.db2.gz OJSZWGUNSSTYNS-UHFFFAOYSA-N -1 3 384.354 3.201 20 0 GGADHM CC[C@H](CNC(=O)CCc1ccccc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000262196778 961541714 /nfs/dbraw/zinc/54/17/14/961541714.db2.gz ODBOVKCGZNGTDI-HXUWFJFHSA-N -1 3 380.488 3.271 20 0 GGADHM COc1cccc(-c2n[nH]cc2CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001332422100 961568035 /nfs/dbraw/zinc/56/80/35/961568035.db2.gz DNCQPOIQZYYUCH-OCCSQVGLSA-N -1 3 383.370 3.170 20 0 GGADHM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001334187725 961771744 /nfs/dbraw/zinc/77/17/44/961771744.db2.gz NKSSXAFREARQRJ-UHFFFAOYSA-N -1 3 381.476 3.476 20 0 GGADHM CC(C)[C@@H]1N(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC12CCOCC2 ZINC001588842769 961828446 /nfs/dbraw/zinc/82/84/46/961828446.db2.gz OAIXKWZTHVHUNC-IBGZPJMESA-N -1 3 376.497 3.218 20 0 GGADHM CN(C)Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)c2c1OC(F)(F)O2 ZINC001573991038 961828488 /nfs/dbraw/zinc/82/84/88/961828488.db2.gz WVOWPWSUZYYTLN-ZDUSSCGKSA-N -1 3 384.423 3.147 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001340461088 962093884 /nfs/dbraw/zinc/09/38/84/962093884.db2.gz GWHOGSYJFFJZPE-BSIFCXSSSA-N -1 3 393.487 3.216 20 0 GGADHM CC(C)C[C@@H](CNCc1c(Br)cncc1Br)C(=O)[O-] ZINC000263011704 962112275 /nfs/dbraw/zinc/11/22/75/962112275.db2.gz BXFFFRBTJATSLY-VIFPVBQESA-N -1 3 394.107 3.443 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(OC)c1 ZINC000263026706 962136665 /nfs/dbraw/zinc/13/66/65/962136665.db2.gz PAYVLFQDNOBFKE-HXUWFJFHSA-N -1 3 399.491 3.276 20 0 GGADHM CC[C@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001343020950 962153078 /nfs/dbraw/zinc/15/30/78/962153078.db2.gz LMGYLXIVLNDSBA-YLJYHZDGSA-N -1 3 387.524 3.110 20 0 GGADHM CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263088130 962236075 /nfs/dbraw/zinc/23/60/75/962236075.db2.gz IPLIOKVBJIMRQG-XLIONFOSSA-N -1 3 388.508 3.326 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000263109881 962261721 /nfs/dbraw/zinc/26/17/21/962261721.db2.gz KYXDSAXUGWNAJJ-WMLDXEAASA-N -1 3 396.434 3.360 20 0 GGADHM O=C([O-])CC[C@H]1CCCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000263109880 962261951 /nfs/dbraw/zinc/26/19/51/962261951.db2.gz KYXDSAXUGWNAJJ-RHSMWYFYSA-N -1 3 396.434 3.360 20 0 GGADHM CC(C)(CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC001345744630 962275352 /nfs/dbraw/zinc/27/53/52/962275352.db2.gz AFFSJGXHUONNMA-SFHVURJKSA-N -1 3 386.414 3.201 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccnc(C(=O)[O-])c2)N(C)C)cc1 ZINC001588906147 962276263 /nfs/dbraw/zinc/27/62/63/962276263.db2.gz MNHOAGGSSVIECD-LJQANCHMSA-N -1 3 384.480 3.403 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Cc2cccc(C3CC3)c2)CCCN(Cc2ccccc2)C1 ZINC001346289435 962339040 /nfs/dbraw/zinc/33/90/40/962339040.db2.gz WIIBHILREVARLM-DEOSSOPVSA-N -1 3 392.499 3.342 20 0 GGADHM C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263197545 962353807 /nfs/dbraw/zinc/35/38/07/962353807.db2.gz WRWBBKPDULPDIP-JKSUJKDBSA-N -1 3 396.915 3.143 20 0 GGADHM C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263197542 962354029 /nfs/dbraw/zinc/35/40/29/962354029.db2.gz WRWBBKPDULPDIP-HOTGVXAUSA-N -1 3 396.915 3.143 20 0 GGADHM C/C(=C\c1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347496174 962388866 /nfs/dbraw/zinc/38/88/66/962388866.db2.gz PKQVDOKSXODCCH-AKXFXYSNSA-N -1 3 396.462 3.465 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1ccccc1OCc1ccncc1)O2 ZINC001574648290 962401988 /nfs/dbraw/zinc/40/19/88/962401988.db2.gz BDLSIKHRFGQIHZ-GSVIPDFHSA-N -1 3 382.460 3.163 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCc3cc(C(F)(F)F)ccn3)o2)C1 ZINC001574652429 962450919 /nfs/dbraw/zinc/45/09/19/962450919.db2.gz XAEIITMNPBTPHW-ZDUSSCGKSA-N -1 3 397.397 3.327 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCc3cc(C(F)(F)F)ccn3)o2)C1 ZINC001574652428 962452072 /nfs/dbraw/zinc/45/20/72/962452072.db2.gz XAEIITMNPBTPHW-CYBMUJFWSA-N -1 3 397.397 3.327 20 0 GGADHM CC(C)OC(=O)C[C@@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(C)C ZINC001588928460 962453260 /nfs/dbraw/zinc/45/32/60/962453260.db2.gz XWGCOTVGAKESPS-NVXWUHKLSA-N -1 3 380.485 3.037 20 0 GGADHM CC(C)OC(=O)C[C@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(C)C ZINC001588928462 962453480 /nfs/dbraw/zinc/45/34/80/962453480.db2.gz XWGCOTVGAKESPS-WBVHZDCISA-N -1 3 380.485 3.037 20 0 GGADHM CN1C(=O)C[C@H](NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263380867 962540284 /nfs/dbraw/zinc/54/02/84/962540284.db2.gz BPHQVMVFRRRFQA-WMZOPIPTSA-N -1 3 376.815 3.239 20 0 GGADHM O=C([O-])c1cccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000263388719 962546279 /nfs/dbraw/zinc/54/62/79/962546279.db2.gz DQXLSWPUAUPIJK-MRXNPFEDSA-N -1 3 392.377 3.294 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001574132883 962547723 /nfs/dbraw/zinc/54/77/23/962547723.db2.gz CKJSQYKRFZHURP-SPLOXXLWSA-N -1 3 381.432 3.374 20 0 GGADHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(OC)c1OCC(F)F ZINC000263424748 962596215 /nfs/dbraw/zinc/59/62/15/962596215.db2.gz QDZNPLHQWDWJTC-UHFFFAOYSA-N -1 3 381.375 3.336 20 0 GGADHM O=C([O-])c1cccc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000263445107 962629632 /nfs/dbraw/zinc/62/96/32/962629632.db2.gz XPGOGNWKSPTSGF-UHFFFAOYSA-N -1 3 390.439 3.203 20 0 GGADHM O=C([O-])C1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000263450553 962636194 /nfs/dbraw/zinc/63/61/94/962636194.db2.gz ZKBCYVFDWWOWCL-UHFFFAOYSA-N -1 3 395.187 3.302 20 0 GGADHM COc1c(Br)cc(Br)cc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000263454085 962641387 /nfs/dbraw/zinc/64/13/87/962641387.db2.gz AJOVRUWGRSBTCL-MRVPVSSYSA-N -1 3 395.091 3.373 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)Cc2ccccc21 ZINC001356607217 962744063 /nfs/dbraw/zinc/74/40/63/962744063.db2.gz DRVAYLLGOLOVBF-FPOVZHCZSA-N -1 3 393.487 3.045 20 0 GGADHM CC(C)(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)nc1 ZINC001517331878 962767209 /nfs/dbraw/zinc/76/72/09/962767209.db2.gz GGSATHCQENFWPR-QHCPKHFHSA-N -1 3 395.503 3.228 20 0 GGADHM CN1CCCC[C@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001517416662 962791881 /nfs/dbraw/zinc/79/18/81/962791881.db2.gz WJGMPRUYFYEURW-AWEZNQCLSA-N -1 3 388.489 3.484 20 0 GGADHM O=C([O-])CN1CCCC[C@H](NCc2ccc(-c3ccc(F)cc3)s2)C1=O ZINC001574723626 962800752 /nfs/dbraw/zinc/80/07/52/962800752.db2.gz KUVAFAZWBPZGLA-INIZCTEOSA-N -1 3 376.453 3.110 20 0 GGADHM Cc1ccccc1C[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001520151240 962813320 /nfs/dbraw/zinc/81/33/20/962813320.db2.gz NVEHNFNSQVTSRJ-YADARESESA-N -1 3 394.515 3.409 20 0 GGADHM C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)[C@H](c1ccccc1)N(C)C ZINC001521158343 962861450 /nfs/dbraw/zinc/86/14/50/962861450.db2.gz LHIZTCXDGWATFW-CWFSZBLJSA-N -1 3 381.476 3.071 20 0 GGADHM Cc1ccc(C[C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001526703870 962874267 /nfs/dbraw/zinc/87/42/67/962874267.db2.gz COAHZUOPDNGTDQ-CYFREDJKSA-N -1 3 394.515 3.409 20 0 GGADHM Cc1ccc(C)c(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001526687358 962874450 /nfs/dbraw/zinc/87/44/50/962874450.db2.gz APZQBHJIKNQZGD-HSZRJFAPSA-N -1 3 380.488 3.082 20 0 GGADHM Cc1cc(C)cc(CCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001526692132 962875479 /nfs/dbraw/zinc/87/54/79/962875479.db2.gz BGJCOOVGAHHPHO-XMMPIXPASA-N -1 3 394.515 3.472 20 0 GGADHM O=C([O-])[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC001549036255 962928796 /nfs/dbraw/zinc/92/87/96/962928796.db2.gz JUDLSKCQXTYYGR-GUDVDZBRSA-N -1 3 384.863 3.246 20 0 GGADHM C[C@H](NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001549038282 962938037 /nfs/dbraw/zinc/93/80/37/962938037.db2.gz UUUNYXDDJPZKQB-HZVDNRATSA-N -1 3 384.451 3.192 20 0 GGADHM C[C@H](NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000315324299 963881756 /nfs/dbraw/zinc/88/17/56/963881756.db2.gz LXVPUVWBFHOIJZ-WODVXLOZSA-N -1 3 381.498 3.422 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000263375648 967881839 /nfs/dbraw/zinc/88/18/39/967881839.db2.gz WOEVERVVSUUIHR-YZGWKJHDSA-N -1 3 387.524 3.212 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263434495 967892628 /nfs/dbraw/zinc/89/26/28/967892628.db2.gz ZNVMOCZIWLXWER-QGZVFWFLSA-N -1 3 381.476 3.048 20 0 GGADHM CC(C)C[C@H](CNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000263467041 967896138 /nfs/dbraw/zinc/89/61/38/967896138.db2.gz GNOFHLJMUXHWPS-SECBINFHSA-N -1 3 394.107 3.443 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000388560060 968155952 /nfs/dbraw/zinc/15/59/52/968155952.db2.gz ZIFODUUCYTYZCE-MOPGFXCFSA-N -1 3 375.513 3.039 20 0 GGADHM CCC(CC)(CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(=O)[O-] ZINC000424421947 968366252 /nfs/dbraw/zinc/36/62/52/968366252.db2.gz FDVLQNXFDXHFPD-UHFFFAOYSA-N -1 3 375.513 3.183 20 0 GGADHM CC(C)(C)CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000449150415 968378848 /nfs/dbraw/zinc/37/88/48/968378848.db2.gz ZQNRNXSPHZZTPF-SJLPKXTDSA-N -1 3 378.488 3.433 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000563123773 968414770 /nfs/dbraw/zinc/41/47/70/968414770.db2.gz GKVAZHJCHXEZQB-FXAWDEMLSA-N -1 3 396.487 3.067 20 0 GGADHM C[C@@H]1CCN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000565362698 968424140 /nfs/dbraw/zinc/42/41/40/968424140.db2.gz LKBHMRQFLOCXDK-QGCDCVKKSA-N -1 3 398.478 3.416 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000578827127 968469061 /nfs/dbraw/zinc/46/90/61/968469061.db2.gz AISYTYJFZGOPKG-UHFFFAOYSA-N -1 3 392.540 3.135 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655863852 968697185 /nfs/dbraw/zinc/69/71/85/968697185.db2.gz QSGVUBSGBPGKEH-DSLXNQLJSA-N -1 3 387.524 3.086 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655863858 968697398 /nfs/dbraw/zinc/69/73/98/968697398.db2.gz QSGVUBSGBPGKEH-XGXHKWSGSA-N -1 3 387.524 3.086 20 0 GGADHM C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@H](c1ccccc1)N(C)C ZINC000655877186 968701927 /nfs/dbraw/zinc/70/19/27/968701927.db2.gz XVVXUOOZOCDKFE-GCDKYVQMSA-N -1 3 375.513 3.112 20 0 GGADHM CCCN(C)[C@H](CNC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000659402417 968733975 /nfs/dbraw/zinc/73/39/75/968733975.db2.gz FWFOCVCURZTBKR-MRXNPFEDSA-N -1 3 381.904 3.277 20 0 GGADHM CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203833 968753960 /nfs/dbraw/zinc/75/39/60/968753960.db2.gz RQBJAMGFTOLYSP-KRWDZBQOSA-N -1 3 390.480 3.450 20 0 GGADHM COc1ccc2ccccc2c1CN(C1CCCC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203418 968754074 /nfs/dbraw/zinc/75/40/74/968754074.db2.gz DPMMCYMEDNTCTI-HXUWFJFHSA-N -1 3 396.487 3.279 20 0 GGADHM O=C([O-])[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000662223454 968759031 /nfs/dbraw/zinc/75/90/31/968759031.db2.gz NIUXPUVEBIZFFG-RTWAWAEBSA-N -1 3 378.472 3.254 20 0 GGADHM O=C([O-])[C@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000662223455 968759130 /nfs/dbraw/zinc/75/91/30/968759130.db2.gz NIUXPUVEBIZFFG-SFTDATJTSA-N -1 3 378.472 3.254 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)Cc2ccccc21 ZINC000663133611 968826256 /nfs/dbraw/zinc/82/62/56/968826256.db2.gz DLMSMWOKDOMVIX-WIYYLYMNSA-N -1 3 396.462 3.248 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3cccc(CCC(=O)[O-])c3)cc2)CC1 ZINC000841833661 969225291 /nfs/dbraw/zinc/22/52/91/969225291.db2.gz QMYAZTDHXGEGEW-UHFFFAOYSA-N -1 3 396.491 3.490 20 0 GGADHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3ccc(Oc4ccccc4)o3)C2)cn1 ZINC000874051682 969367961 /nfs/dbraw/zinc/36/79/61/969367961.db2.gz RAZUEKKEANZOHY-JKSUJKDBSA-N -1 3 381.432 3.496 20 0 GGADHM COc1cccc([C@H](CNC(=O)NCc2ccccc2C(=O)[O-])N2CCCC2)c1 ZINC000874382737 969370239 /nfs/dbraw/zinc/37/02/39/969370239.db2.gz MWJYDHJUGZCTGI-FQEVSTJZSA-N -1 3 397.475 3.030 20 0 GGADHM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CCC2(C(=O)[O-])CCC2)CC1 ZINC000903696984 969590609 /nfs/dbraw/zinc/59/06/09/969590609.db2.gz FSPXVNDWFLKQNO-AWEZNQCLSA-N -1 3 390.509 3.122 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC[C@@H](O)c3ccc(Cl)cc3)o2)CC1 ZINC000904206675 969599409 /nfs/dbraw/zinc/59/94/09/969599409.db2.gz JWCZYEYVZVLFOL-QGZVFWFLSA-N -1 3 378.856 3.057 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN[C@H]3CCN(c4ccccc4F)C3)o2)CC1 ZINC000904243006 969604556 /nfs/dbraw/zinc/60/45/56/969604556.db2.gz YAJIYNQWEBBYGR-INIZCTEOSA-N -1 3 387.455 3.088 20 0 GGADHM C[C@H](COc1c(F)cccc1F)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904252359 969605424 /nfs/dbraw/zinc/60/54/24/969605424.db2.gz YZCGWAZWAWHITN-CYBMUJFWSA-N -1 3 394.418 3.416 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC[C@H](CO)c3ccc(Cl)cc3)o2)CC1 ZINC000904256985 969606451 /nfs/dbraw/zinc/60/64/51/969606451.db2.gz MWVCVDOVPAFFOQ-MRXNPFEDSA-N -1 3 392.883 3.100 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000923467070 969651042 /nfs/dbraw/zinc/65/10/42/969651042.db2.gz LCCIXLYNCMGACG-YVEFUNNKSA-N -1 3 383.286 3.353 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)N(C)C)cc1 ZINC001263069869 969695109 /nfs/dbraw/zinc/69/51/09/969695109.db2.gz CZLVGWUABJTIIF-UFYCRDLUSA-N -1 3 381.476 3.210 20 0 GGADHM Cc1cc(Br)c(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)s1 ZINC001332337830 969721924 /nfs/dbraw/zinc/72/19/24/969721924.db2.gz VLAWTNXJNFEZJL-NEPJUHHUSA-N -1 3 398.326 3.243 20 0 GGADHM Cc1cc(Br)c(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)s1 ZINC001332337831 969722197 /nfs/dbraw/zinc/72/21/97/969722197.db2.gz VLAWTNXJNFEZJL-NWDGAFQWSA-N -1 3 398.326 3.243 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001335361469 969730862 /nfs/dbraw/zinc/73/08/62/969730862.db2.gz QPVXPOKDHQJQBX-DNVCBOLYSA-N -1 3 379.526 3.171 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccco1 ZINC001343041887 969756572 /nfs/dbraw/zinc/75/65/72/969756572.db2.gz SVBLVADLYMITAA-JCGIZDLHSA-N -1 3 385.464 3.102 20 0 GGADHM CC[C@H](CNC(=O)N1CCCC[C@H]1CCC(=O)[O-])N1CCc2ccccc2C1 ZINC001356607206 969782502 /nfs/dbraw/zinc/78/25/02/969782502.db2.gz DOTUWMIHCJAZHQ-UXHICEINSA-N -1 3 387.524 3.252 20 0 GGADHM CSc1ccc([C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC001604964859 972553652 /nfs/dbraw/zinc/55/36/52/972553652.db2.gz JRHBOIIYEDDDRO-SFHVURJKSA-N -1 3 387.505 3.460 20 0 GGADHM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001603313360 972614431 /nfs/dbraw/zinc/61/44/31/972614431.db2.gz ZLJARWCIHCRRNQ-UHFFFAOYSA-N -1 3 390.446 3.045 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCOc2ccccc2C(=O)[O-])C1 ZINC001603341443 972740455 /nfs/dbraw/zinc/74/04/55/972740455.db2.gz KTPQLXQVWQJKHC-HXUWFJFHSA-N -1 3 378.469 3.000 20 0 GGADHM Cc1cc(Br)cc(C)c1N1CCC[C@@H](N(C)CCCC(=O)[O-])C1=O ZINC001605102427 972762343 /nfs/dbraw/zinc/76/23/43/972762343.db2.gz YLINWFJFYYYITN-OAHLLOKOSA-N -1 3 397.313 3.358 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)c1 ZINC001605141416 972819193 /nfs/dbraw/zinc/81/91/93/972819193.db2.gz UKJVPLDSDHJTTR-UHFFFAOYSA-N -1 3 382.460 3.075 20 0 GGADHM O=C([O-])C1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCCC1 ZINC001605937342 972881592 /nfs/dbraw/zinc/88/15/92/972881592.db2.gz GMPJCPWEBPCXHS-UHFFFAOYSA-N -1 3 376.522 3.252 20 0 GGADHM COC(=O)C1CC2(C1)CN(CCc1cc(Cl)cc(Cl)c1)C[C@H]2C(=O)[O-] ZINC001604291438 972902332 /nfs/dbraw/zinc/90/23/32/972902332.db2.gz HDSNXROLKSIJSE-KVIBHRHWSA-N -1 3 386.275 3.122 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cnn(Cc3ccccc3Cl)c1)O2 ZINC001605987999 973042388 /nfs/dbraw/zinc/04/23/88/973042388.db2.gz QCPDMKGTRSLWCB-GNZRSQJKSA-N -1 3 389.883 3.087 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H]3CCC[C@@H](C(F)(F)F)O3)o2)C1 ZINC001605997875 973074236 /nfs/dbraw/zinc/07/42/36/973074236.db2.gz ICEJSAJRTZOQGY-NFAWXSAZSA-N -1 3 390.402 3.170 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@H](c3ccco3)N3CCCC3)o2)C1 ZINC001605999498 973086733 /nfs/dbraw/zinc/08/67/33/973086733.db2.gz UHUCABPFZCZBER-FUHWJXTLSA-N -1 3 387.480 3.100 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CC[C@H](COc4ccccc4)C3)o2)C1 ZINC001605999493 973087464 /nfs/dbraw/zinc/08/74/64/973087464.db2.gz UCTXXRXWFBXFOV-ROUUACIJSA-N -1 3 384.476 3.482 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@@H]3CC[C@H]4SCCS[C@@H]34)o2)C1 ZINC001605999776 973092681 /nfs/dbraw/zinc/09/26/81/973092681.db2.gz ZMSPAMRQNMGYBO-MMTVNHQJSA-N -1 3 382.551 3.050 20 0 GGADHM COC(=O)c1ccc(-c2nc(CN[C@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC001604382401 973100699 /nfs/dbraw/zinc/10/06/99/973100699.db2.gz KFPGMUFCFKBXJU-GOSISDBHSA-N -1 3 396.468 3.382 20 0 GGADHM Cc1csc([C@H]2CCN(Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380034 973335774 /nfs/dbraw/zinc/33/57/74/973335774.db2.gz ARCGJGLWXCCBAG-GJZGRUSLSA-N -1 3 375.494 3.335 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC001604542353 973534378 /nfs/dbraw/zinc/53/43/78/973534378.db2.gz VRTSQNBVGGGFOQ-NRFANRHFSA-N -1 3 399.422 3.189 20 0 GGADHM Cc1sc(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Br ZINC001605460989 973556282 /nfs/dbraw/zinc/55/62/82/973556282.db2.gz IRHPUSNPUXLERA-NEPJUHHUSA-N -1 3 398.326 3.243 20 0 GGADHM CC[C@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H](O)c1ccccc1F ZINC001603585866 973757871 /nfs/dbraw/zinc/75/78/71/973757871.db2.gz NWQHZMXVTTVLEZ-ADLFWFRXSA-N -1 3 390.455 3.322 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405187299 973773758 /nfs/dbraw/zinc/77/37/58/973773758.db2.gz MFAPUAYYVXIPQX-IPMKNSEASA-N -1 3 375.513 3.086 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC001606359891 973816279 /nfs/dbraw/zinc/81/62/79/973816279.db2.gz FHROMWOYFPAZGE-MRXNPFEDSA-N -1 3 382.441 3.324 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(F)cc1I ZINC001606433755 973883220 /nfs/dbraw/zinc/88/32/20/973883220.db2.gz RUFRZEJFGLLWQZ-HNNXBMFYSA-N -1 3 399.203 3.216 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000414640829 973944924 /nfs/dbraw/zinc/94/49/24/973944924.db2.gz SEYKWZABVFQMRC-OAQYLSRUSA-N -1 3 380.488 3.488 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001604772129 973990773 /nfs/dbraw/zinc/99/07/73/973990773.db2.gz FLOHQDCKCBJEAI-UFYCRDLUSA-N -1 3 382.460 3.164 20 0 GGADHM COc1ccccc1O[C@H](C)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001604896795 974152019 /nfs/dbraw/zinc/15/20/19/974152019.db2.gz DXDMBJXNUIJSDC-CVEARBPZSA-N -1 3 388.464 3.146 20 0 GGADHM CCN(CC)[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccco1 ZINC001603732644 974172009 /nfs/dbraw/zinc/17/20/09/974172009.db2.gz NWLRYHPQNMUWOT-FUHWJXTLSA-N -1 3 389.496 3.346 20 0 GGADHM CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603760307 974203175 /nfs/dbraw/zinc/20/31/75/974203175.db2.gz LKTUMOIZQXYOKJ-BBVFFXRHSA-N -1 3 398.459 3.210 20 0 GGADHM O=C([O-])[C@@H]1CN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@H]1c1ccccc1 ZINC000518532790 974323528 /nfs/dbraw/zinc/32/35/28/974323528.db2.gz CCLDSUQLRMSKQG-XUVXKRRUSA-N -1 3 382.435 3.121 20 0 GGADHM C[C@@H](c1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1)C(F)(F)F ZINC000563290132 974529486 /nfs/dbraw/zinc/52/94/86/974529486.db2.gz QMZBUJIJLUOAFC-WFASDCNBSA-N -1 3 382.386 3.479 20 0 GGADHM CN(C)[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccs1 ZINC001604054760 974587988 /nfs/dbraw/zinc/58/79/88/974587988.db2.gz ZXUCJZKPWHLPKZ-GOEBONIOSA-N -1 3 377.510 3.035 20 0 GGADHM C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000568072701 974660596 /nfs/dbraw/zinc/66/05/96/974660596.db2.gz LLHMRRJNPOOZRK-OPAMFIHVSA-N -1 3 377.444 3.450 20 0 GGADHM COc1ccc(C[C@H](C)CN(C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000572848537 974755335 /nfs/dbraw/zinc/75/53/35/974755335.db2.gz ODYWDLNKMZFTMJ-DLBZAZTESA-N -1 3 398.503 3.209 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(C)(c2ccccc2)CC1 ZINC000580336674 974892806 /nfs/dbraw/zinc/89/28/06/974892806.db2.gz WZZURBXMCFTZDI-QGZVFWFLSA-N -1 3 380.488 3.443 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(C)(c2ccccc2)CC1 ZINC000580336673 974892955 /nfs/dbraw/zinc/89/29/55/974892955.db2.gz WZZURBXMCFTZDI-KRWDZBQOSA-N -1 3 380.488 3.443 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000580778306 974899814 /nfs/dbraw/zinc/89/98/14/974899814.db2.gz HXIBQNQBXLLMAF-OAHLLOKOSA-N -1 3 383.366 3.275 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000630228138 975176256 /nfs/dbraw/zinc/17/62/56/975176256.db2.gz UVECSASHXDZUKK-UHFFFAOYSA-N -1 3 386.414 3.036 20 0 GGADHM CCN1CCN(Cc2ccccc2CNc2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000647448255 975360207 /nfs/dbraw/zinc/36/02/07/975360207.db2.gz CDZVIJCQCNZKQX-UHFFFAOYSA-N -1 3 388.899 3.183 20 0 GGADHM COc1ccc([C@@H](CNc2ncc(C(=O)[O-])cc2Cl)N(C)C)cc1OC ZINC000647448010 975360237 /nfs/dbraw/zinc/36/02/37/975360237.db2.gz NDVSYHPKYMQWOL-CQSZACIVSA-N -1 3 379.844 3.165 20 0 GGADHM COc1ccc([C@H](CNc2ncc(C(=O)[O-])cc2Cl)N(C)C)cc1OC ZINC000647448009 975360567 /nfs/dbraw/zinc/36/05/67/975360567.db2.gz NDVSYHPKYMQWOL-AWEZNQCLSA-N -1 3 379.844 3.165 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000652459755 975541184 /nfs/dbraw/zinc/54/11/84/975541184.db2.gz JYBCIIHSFWUGSF-MRXNPFEDSA-N -1 3 383.366 3.275 20 0 GGADHM Cn1c(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000652500200 975564097 /nfs/dbraw/zinc/56/40/97/975564097.db2.gz DQGZKZXUGCUCDS-OAQYLSRUSA-N -1 3 396.878 3.364 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1C1CC1 ZINC000652515152 975573037 /nfs/dbraw/zinc/57/30/37/975573037.db2.gz QOOFAYCMCUQYQX-UONOGXRCSA-N -1 3 381.354 3.298 20 0 GGADHM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000653285534 975576728 /nfs/dbraw/zinc/57/67/28/975576728.db2.gz RBEXFQQNDADMMS-DLBZAZTESA-N -1 3 378.900 3.265 20 0 GGADHM Cc1cccc(S(=O)(=O)CCCN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000656767527 975700752 /nfs/dbraw/zinc/70/07/52/975700752.db2.gz SDPQGXNRGPQBLR-FHWLQOOXSA-N -1 3 379.522 3.124 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccsc1 ZINC000659754529 975862420 /nfs/dbraw/zinc/86/24/20/975862420.db2.gz RKKQYIWWAFKMDX-QGZVFWFLSA-N -1 3 376.478 3.024 20 0 GGADHM CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659753464 975862577 /nfs/dbraw/zinc/86/25/77/975862577.db2.gz LQHSVNSJXXGNSM-YLJYHZDGSA-N -1 3 396.487 3.448 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001591772662 975906127 /nfs/dbraw/zinc/90/61/27/975906127.db2.gz HOGKITLGCAKIPH-LMMKCTJWSA-N -1 3 376.497 3.084 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)Cc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001591772956 975909677 /nfs/dbraw/zinc/90/96/77/975909677.db2.gz PXAXWVUMFDUENY-FQEVSTJZSA-N -1 3 384.476 3.134 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)N(C)C)cc1 ZINC001591776801 975926020 /nfs/dbraw/zinc/92/60/20/975926020.db2.gz MJEIVYZQMLSLFI-SIKDUDHDSA-N -1 3 386.448 3.197 20 0 GGADHM CC(C)Oc1ccc(CCNC(=O)CN[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001591776795 975926170 /nfs/dbraw/zinc/92/61/70/975926170.db2.gz MGNRHOSOEWBFFK-QFIPXVFZSA-N -1 3 390.524 3.146 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)N(C)C)cc1 ZINC001591776798 975926223 /nfs/dbraw/zinc/92/62/23/975926223.db2.gz MJEIVYZQMLSLFI-ANGAQGJPSA-N -1 3 386.448 3.197 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)N(C)C)cc1 ZINC001591776800 975926418 /nfs/dbraw/zinc/92/64/18/975926418.db2.gz MJEIVYZQMLSLFI-NCUBBLFSSA-N -1 3 386.448 3.197 20 0 GGADHM CSc1ccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000666548657 975970876 /nfs/dbraw/zinc/97/08/76/975970876.db2.gz FARVVRGLTMJLAS-SFHVURJKSA-N -1 3 387.505 3.209 20 0 GGADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)cc(OC)c1OCC(F)F ZINC000666584375 975976487 /nfs/dbraw/zinc/97/64/87/975976487.db2.gz ZDYMIFBAALDDTC-UHFFFAOYSA-N -1 3 381.375 3.336 20 0 GGADHM CC(C)Oc1cccc(CNC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001591797087 976012949 /nfs/dbraw/zinc/01/29/49/976012949.db2.gz WLGJAHPPEXZXNQ-KKSFZXQISA-N -1 3 384.476 3.142 20 0 GGADHM CC(C)Sc1ccc([C@H](C)NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC001591829690 976095596 /nfs/dbraw/zinc/09/55/96/976095596.db2.gz YJJQVLAECJEPSI-HNNXBMFYSA-N -1 3 393.553 3.439 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)[O-] ZINC001591870857 976204661 /nfs/dbraw/zinc/20/46/61/976204661.db2.gz RXSLLVADZUQJNV-QUCCMNQESA-N -1 3 388.895 3.439 20 0 GGADHM CC(C)c1[nH]c(CNCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC001591917095 976373372 /nfs/dbraw/zinc/37/33/72/976373372.db2.gz WMIGURKJMQADNM-UHFFFAOYSA-N -1 3 377.485 3.493 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC001592267546 977514498 /nfs/dbraw/zinc/51/44/98/977514498.db2.gz DWLTYAKMACTLBW-ZDUSSCGKSA-N -1 3 382.416 3.110 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC001592271354 977542688 /nfs/dbraw/zinc/54/26/88/977542688.db2.gz ZUZWCUCWXGKLQY-GJZGRUSLSA-N -1 3 384.480 3.449 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC001592271352 977542841 /nfs/dbraw/zinc/54/28/41/977542841.db2.gz ZUZWCUCWXGKLQY-CABCVRRESA-N -1 3 384.480 3.449 20 0 GGADHM C[C@](CC(=O)[O-])(NCCOc1cccc(Br)c1)c1ccccn1 ZINC001592316958 977697132 /nfs/dbraw/zinc/69/71/32/977697132.db2.gz GKZNFHRVPOIWEC-QGZVFWFLSA-N -1 3 379.254 3.203 20 0 GGADHM C[C@@](CC(=O)[O-])(NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC001592322126 977724891 /nfs/dbraw/zinc/72/48/91/977724891.db2.gz MVKLSNLQCJVNMV-YJBOKZPZSA-N -1 3 399.274 3.108 20 0 GGADHM C[C@](CC(=O)[O-])(NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC001592322117 977725200 /nfs/dbraw/zinc/72/52/00/977725200.db2.gz MVKLSNLQCJVNMV-CRAIPNDOSA-N -1 3 399.274 3.108 20 0 GGADHM C[C@@](CC(=O)[O-])(NCc1ccc(I)cc1)c1ccncc1 ZINC001592327682 977741901 /nfs/dbraw/zinc/74/19/01/977741901.db2.gz CRZZFSIUWAAUSP-INIZCTEOSA-N -1 3 396.228 3.166 20 0 GGADHM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001592382112 977923344 /nfs/dbraw/zinc/92/33/44/977923344.db2.gz XRNRAOKHOMQODW-BFUOFWGJSA-N -1 3 382.451 3.497 20 0 GGADHM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001592382115 977923980 /nfs/dbraw/zinc/92/39/80/977923980.db2.gz XRNRAOKHOMQODW-YJYMSZOUSA-N -1 3 382.451 3.497 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000737084994 978378421 /nfs/dbraw/zinc/37/84/21/978378421.db2.gz HBYYBHYYEHDWBU-ZHALLVOQSA-N -1 3 376.497 3.085 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000737357456 978398840 /nfs/dbraw/zinc/39/88/40/978398840.db2.gz AQBWRPKZBJUHHN-HNNXBMFYSA-N -1 3 375.856 3.333 20 0 GGADHM C[NH+](C)Cc1c2ccccc2oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000737367796 978399482 /nfs/dbraw/zinc/39/94/82/978399482.db2.gz FKKININRHLCCOK-UHFFFAOYSA-N -1 3 388.449 3.006 20 0 GGADHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000737948736 978462621 /nfs/dbraw/zinc/46/26/21/978462621.db2.gz BXMWGCPPOUNJAU-HNNXBMFYSA-N -1 3 391.493 3.174 20 0 GGADHM C[C@@H](CN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592584991 978505864 /nfs/dbraw/zinc/50/58/64/978505864.db2.gz WGIOSZVFFWBPFV-LBPRGKRZSA-N -1 3 393.459 3.361 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000739987962 978661484 /nfs/dbraw/zinc/66/14/84/978661484.db2.gz HNJLPOFNHMAPSU-LJQANCHMSA-N -1 3 382.464 3.413 20 0 GGADHM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)N(C)Cc1ccccc1 ZINC001592674302 979085139 /nfs/dbraw/zinc/08/51/39/979085139.db2.gz GQVKBXPRDBDSTL-GFCCVEGCSA-N -1 3 376.844 3.075 20 0 GGADHM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833392652 979177353 /nfs/dbraw/zinc/17/73/53/979177353.db2.gz DHQYTWUSRFCCDE-NRFANRHFSA-N -1 3 388.508 3.153 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccccc1C(=O)[O-] ZINC000833638935 979212551 /nfs/dbraw/zinc/21/25/51/979212551.db2.gz YBUYMQALJCGSEC-IBGZPJMESA-N -1 3 391.855 3.209 20 0 GGADHM C[C@@](CO)(NCCOc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC001592749298 979303345 /nfs/dbraw/zinc/30/33/45/979303345.db2.gz KXZATPIIZBOAHE-SFHVURJKSA-N -1 3 394.265 3.023 20 0 GGADHM Cc1nn(C)c2ncc(CN[C@@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)cc12 ZINC000841796642 979312525 /nfs/dbraw/zinc/31/25/25/979312525.db2.gz SRBWIFDGYABHKI-OAHLLOKOSA-N -1 3 378.354 3.211 20 0 GGADHM CCC(CC)(NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001595101640 979410869 /nfs/dbraw/zinc/41/08/69/979410869.db2.gz UCARGWHCMCKKGW-UHFFFAOYSA-N -1 3 391.781 3.068 20 0 GGADHM COc1cccc(OC)c1OC1CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC000846241240 979418795 /nfs/dbraw/zinc/41/87/95/979418795.db2.gz KXUONRLRKAGUQP-UHFFFAOYSA-N -1 3 385.460 3.374 20 0 GGADHM Cc1nn(C)c2ncc(CN(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)cc12 ZINC000846267935 979435581 /nfs/dbraw/zinc/43/55/81/979435581.db2.gz DBBCTMOTRZMNRJ-UHFFFAOYSA-N -1 3 392.381 3.382 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000849344301 979495171 /nfs/dbraw/zinc/49/51/71/979495171.db2.gz ILAGQHZYRYSFPI-KGYLQXTDSA-N -1 3 385.304 3.324 20 0 GGADHM O=C([O-])C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000852959515 979592250 /nfs/dbraw/zinc/59/22/50/979592250.db2.gz NJHXWRYOKMSKBR-VQIMIIECSA-N -1 3 398.425 3.058 20 0 GGADHM C[C@H](CN1CCC(n2cc(C(=O)[O-])nn2)CC1)c1cccc(Br)c1 ZINC000859815900 979646089 /nfs/dbraw/zinc/64/60/89/979646089.db2.gz YWVZHTKKDSLFNP-GFCCVEGCSA-N -1 3 393.285 3.179 20 0 GGADHM COc1cc(-c2ccccc2)ccc1CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859816900 979648155 /nfs/dbraw/zinc/64/81/55/979648155.db2.gz LCEKCCFMOXBYAJ-LJQANCHMSA-N -1 3 392.459 3.489 20 0 GGADHM CO[C@@]1(C(=O)[O-])CCN(Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000859819584 979653432 /nfs/dbraw/zinc/65/34/32/979653432.db2.gz KXKPKIJHMJFJKB-FQEVSTJZSA-N -1 3 391.899 3.499 20 0 GGADHM CC[C@@](CNCc1c(Br)c(C)nn1C)(C(=O)[O-])c1ccccc1 ZINC001595167403 979719846 /nfs/dbraw/zinc/71/98/46/979719846.db2.gz NIKREWMJFNVPIF-KRWDZBQOSA-N -1 3 380.286 3.013 20 0 GGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1cccc(F)c1I ZINC000871878446 979980391 /nfs/dbraw/zinc/98/03/91/979980391.db2.gz LKLLQQJEXXIGJT-NSHDSACASA-N -1 3 379.213 3.409 20 0 GGADHM COc1ccc(C(=O)[O-])c2c1CN(CCc1nc(-c3ccccc3)no1)CC2 ZINC000872166675 980064259 /nfs/dbraw/zinc/06/42/59/980064259.db2.gz MZPHJZUUDSKIIL-UHFFFAOYSA-N -1 3 379.416 3.044 20 0 GGADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(C(=O)N4CCCC4)CC3)o2)cc1 ZINC000901416945 980263339 /nfs/dbraw/zinc/26/33/39/980263339.db2.gz HITVERVRBVCEPO-UHFFFAOYSA-N -1 3 382.460 3.479 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000901437895 980286350 /nfs/dbraw/zinc/28/63/50/980286350.db2.gz JZPQKJNLGQKVGH-UHFFFAOYSA-N -1 3 389.471 3.295 20 0 GGADHM CC[C@@H](N[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCCO2 ZINC001595277472 980306167 /nfs/dbraw/zinc/30/61/67/980306167.db2.gz VNMKMJSUYPIBJP-YLJYHZDGSA-N -1 3 387.432 3.342 20 0 GGADHM COc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(OCc2cccnc2)c1 ZINC000901501453 980320433 /nfs/dbraw/zinc/32/04/33/980320433.db2.gz WLIGOENUMIIPSV-LJQANCHMSA-N -1 3 382.460 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000901522214 980340993 /nfs/dbraw/zinc/34/09/93/980340993.db2.gz NCOKPCZTHFETFI-LBPRGKRZSA-N -1 3 380.286 3.420 20 0 GGADHM O=C([O-])c1cn([C@H]2CCCN(Cc3cccc(OCc4ccccc4)c3)C2)nn1 ZINC000901523292 980344208 /nfs/dbraw/zinc/34/42/08/980344208.db2.gz FEVMGDICURVSOP-IBGZPJMESA-N -1 3 392.459 3.392 20 0 GGADHM C/C(=C/c1ccccc1OC(F)F)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524794 980348322 /nfs/dbraw/zinc/34/83/22/980348322.db2.gz GVOMVVXTVRCWGQ-UZGISAJGSA-N -1 3 392.406 3.318 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2c(c1)CCO2 ZINC000901527250 980354098 /nfs/dbraw/zinc/35/40/98/980354098.db2.gz CKLWFPUTXYIMOI-FPOVZHCZSA-N -1 3 383.444 3.095 20 0 GGADHM CC[C@](NCCS(=O)(=O)Cc1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595292168 980396674 /nfs/dbraw/zinc/39/66/74/980396674.db2.gz CRQNVZXFZKKJAL-LJQANCHMSA-N -1 3 395.908 3.235 20 0 GGADHM CC[C@H](NCCNS(=O)(=O)c1cc(C)sc1C)c1ccc(C(=O)[O-])cc1 ZINC001595294068 980406186 /nfs/dbraw/zinc/40/61/86/980406186.db2.gz MUUCYIUCPKLJGE-INIZCTEOSA-N -1 3 396.534 3.082 20 0 GGADHM CC[C@@H](NCCNS(=O)(=O)c1cc(C)sc1C)c1ccc(C(=O)[O-])cc1 ZINC001595294077 980406241 /nfs/dbraw/zinc/40/62/41/980406241.db2.gz MUUCYIUCPKLJGE-MRXNPFEDSA-N -1 3 396.534 3.082 20 0 GGADHM CC[C@H](NCc1ccc(C)c(C(=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC001595299691 980430164 /nfs/dbraw/zinc/43/01/64/980430164.db2.gz CEYJDSAKVVWWBW-IBGZPJMESA-N -1 3 384.476 3.401 20 0 GGADHM CC[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cccc(F)c1 ZINC001595300002 980432826 /nfs/dbraw/zinc/43/28/26/980432826.db2.gz MAECHGYYUIZPJD-GOSISDBHSA-N -1 3 379.453 3.066 20 0 GGADHM CC[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cccc(F)c1 ZINC001595300003 980432873 /nfs/dbraw/zinc/43/28/73/980432873.db2.gz MAECHGYYUIZPJD-SFHVURJKSA-N -1 3 379.453 3.066 20 0 GGADHM Cc1nn(-c2ccccc2Cl)cc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901680304 980443001 /nfs/dbraw/zinc/44/30/01/980443001.db2.gz YEBREJNPTMXTQN-MRXNPFEDSA-N -1 3 377.872 3.290 20 0 GGADHM O=C([O-])[C@H](CC(F)(F)F)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000901781138 980511994 /nfs/dbraw/zinc/51/19/94/980511994.db2.gz YPYYILSCQMOQNO-LBPRGKRZSA-N -1 3 381.276 3.386 20 0 GGADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000901824478 980544149 /nfs/dbraw/zinc/54/41/49/980544149.db2.gz AAENBDDXUKAIMF-FQEVSTJZSA-N -1 3 391.370 3.245 20 0 GGADHM CC[C@@](NCc1ccc(S(C)(=O)=O)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901873763 980588221 /nfs/dbraw/zinc/58/82/21/980588221.db2.gz UPMCIHFFZCPHEQ-SFHVURJKSA-N -1 3 381.881 3.223 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2ccncc2F)C[C@H]1c1ccc(Br)cc1 ZINC000901896866 980608440 /nfs/dbraw/zinc/60/84/40/980608440.db2.gz KYWGPGCASUWFRZ-LSDHHAIUSA-N -1 3 379.229 3.283 20 0 GGADHM Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])cnc12 ZINC000902010276 980688666 /nfs/dbraw/zinc/68/86/66/980688666.db2.gz CORZRNRQCSYEPF-CQDKDKBSSA-N -1 3 378.270 3.090 20 0 GGADHM Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])cnc12 ZINC000902010277 980689141 /nfs/dbraw/zinc/68/91/41/980689141.db2.gz CORZRNRQCSYEPF-GLQYFDAESA-N -1 3 378.270 3.090 20 0 GGADHM CO[C@H]1CCN(Cc2ccc(Br)c3cccnc23)[C@@H](C(=O)[O-])C1 ZINC000902031141 980701931 /nfs/dbraw/zinc/70/19/31/980701931.db2.gz HUILLRDNNQZKPK-SWLSCSKDSA-N -1 3 379.254 3.061 20 0 GGADHM Cc1cc(CNCc2ccccc2CN2CCCC2=O)cc(C)c1OCC(=O)[O-] ZINC000902107078 980737884 /nfs/dbraw/zinc/73/78/84/980737884.db2.gz NLWOESJUEHPLBN-UHFFFAOYSA-N -1 3 396.487 3.179 20 0 GGADHM CC[C@H](NCc1cc(C(=O)[O-])cs1)c1ccccc1OCC(=O)N(C)C ZINC000902118439 980743564 /nfs/dbraw/zinc/74/35/64/980743564.db2.gz JRZYZVUVBCPUBB-INIZCTEOSA-N -1 3 376.478 3.154 20 0 GGADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000902138015 980752800 /nfs/dbraw/zinc/75/28/00/980752800.db2.gz GDXPNCQNIRVUDK-LNLATYFQSA-N -1 3 390.793 3.381 20 0 GGADHM O=C([O-])c1ccccc1-c1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1 ZINC000902145075 980756501 /nfs/dbraw/zinc/75/65/01/980756501.db2.gz OXENJWFVUBQYST-HNNXBMFYSA-N -1 3 378.432 3.193 20 0 GGADHM CCN(CC)C(=O)C1(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)CCCCC1 ZINC000902158491 980761417 /nfs/dbraw/zinc/76/14/17/980761417.db2.gz CRCSTKRJNMRKFX-INIZCTEOSA-N -1 3 376.497 3.199 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC000902174841 980768047 /nfs/dbraw/zinc/76/80/47/980768047.db2.gz IWWUJYZTWZDSJD-KRWDZBQOSA-N -1 3 397.393 3.413 20 0 GGADHM NC(=O)[C@H](N[C@@H]1CCC[C@@H](CCCC(=O)[O-])C1)c1cccc(Br)c1 ZINC000902189612 980775459 /nfs/dbraw/zinc/77/54/59/980775459.db2.gz BYWJGSPRIQZYTG-XGWLTEMNSA-N -1 3 397.313 3.379 20 0 GGADHM O=C([O-])c1cccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000902212133 980784741 /nfs/dbraw/zinc/78/47/41/980784741.db2.gz ZSDPWSZFVAUNBQ-CQSZACIVSA-N -1 3 382.395 3.349 20 0 GGADHM Cc1cc(CNCc2cn(C)nc2-c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000902271716 980810940 /nfs/dbraw/zinc/81/09/40/980810940.db2.gz KIPBWXSDHMZOQY-UHFFFAOYSA-N -1 3 379.460 3.457 20 0 GGADHM CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902295821 980821963 /nfs/dbraw/zinc/82/19/63/980821963.db2.gz IFWFIQBUWYHVTK-RDJZCZTQSA-N -1 3 377.462 3.090 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1Cl ZINC000902386662 980865943 /nfs/dbraw/zinc/86/59/43/980865943.db2.gz BVVZUACJVDJPGR-AYBZRNKSSA-N -1 3 384.863 3.285 20 0 GGADHM CCC1(CC)[C@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@@H]1OC ZINC001595372995 980868528 /nfs/dbraw/zinc/86/85/28/980868528.db2.gz AOLGXPDRVGCEDH-CABCVRRESA-N -1 3 394.537 3.447 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001595372998 980868715 /nfs/dbraw/zinc/86/87/15/980868715.db2.gz AOLGXPDRVGCEDH-LSDHHAIUSA-N -1 3 394.537 3.447 20 0 GGADHM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000902396002 980868675 /nfs/dbraw/zinc/86/86/75/980868675.db2.gz PFADAAQDUFJPDH-KMFMINBZSA-N -1 3 387.505 3.052 20 0 GGADHM Cc1cc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc(C)c1OCC(=O)[O-] ZINC000902426387 980880423 /nfs/dbraw/zinc/88/04/23/980880423.db2.gz YKEWLUYLIUUATG-PVPMGCCUSA-N -1 3 375.490 3.355 20 0 GGADHM CCC1(CC)[C@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C[C@H]1OC ZINC001595374121 980880996 /nfs/dbraw/zinc/88/09/96/980880996.db2.gz UVMYWUGMXIAUHC-ZIAGYGMSSA-N -1 3 380.510 3.057 20 0 GGADHM COCCCn1nccc1CN1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000902572044 980938889 /nfs/dbraw/zinc/93/88/89/980938889.db2.gz IOYKDPYDKZTGDC-UHFFFAOYSA-N -1 3 396.491 3.479 20 0 GGADHM CCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2OCC(=O)[O-])CC1 ZINC001595390665 980947118 /nfs/dbraw/zinc/94/71/18/980947118.db2.gz LOTJGWKWFGGEAV-UHFFFAOYSA-N -1 3 392.496 3.419 20 0 GGADHM COc1ccc2c(c1)C[C@H](CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1)O2 ZINC000903602192 980983930 /nfs/dbraw/zinc/98/39/30/980983930.db2.gz PHVPRVKLKGSPGU-MRXNPFEDSA-N -1 3 377.387 3.254 20 0 GGADHM O=C([O-])c1ccc2c(c1)CCN(C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000903617400 980995288 /nfs/dbraw/zinc/99/52/88/980995288.db2.gz WDHVXFLFOYTOCE-KRWDZBQOSA-N -1 3 379.378 3.365 20 0 GGADHM Cn1ccc([C@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903631000 981007268 /nfs/dbraw/zinc/00/72/68/981007268.db2.gz JFQADFSSOXRCOC-XJKSGUPXSA-N -1 3 378.270 3.188 20 0 GGADHM O=C([O-])c1cncc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000903889740 981022446 /nfs/dbraw/zinc/02/24/46/981022446.db2.gz QFWPOMPRZPMDQD-OAHLLOKOSA-N -1 3 382.395 3.349 20 0 GGADHM COc1cc(CN2CCC[C@H]3COCC[C@H]32)c(Br)cc1C(=O)[O-] ZINC000903899348 981028222 /nfs/dbraw/zinc/02/82/22/981028222.db2.gz YGFREYLAUXURGM-XHDPSFHLSA-N -1 3 384.270 3.157 20 0 GGADHM CC1(C)Cc2nc(CN3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)sc2C(C)(C)C1 ZINC000903904573 981030154 /nfs/dbraw/zinc/03/01/54/981030154.db2.gz LVPHKICHDUERLD-RNODOKPDSA-N -1 3 378.538 3.316 20 0 GGADHM COc1cc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC(F)F ZINC000903926231 981044283 /nfs/dbraw/zinc/04/42/83/981044283.db2.gz ABMWYZVIPUZRIW-LLVKDONJSA-N -1 3 384.404 3.441 20 0 GGADHM O=C([O-])[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)[C@H]([C@@H]2CCCO2)C1 ZINC000903942343 981065473 /nfs/dbraw/zinc/06/54/73/981065473.db2.gz WOFSKSPSNKCQNI-HSHDSVGOSA-N -1 3 388.291 3.371 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)CC(F)F ZINC000903998652 981079775 /nfs/dbraw/zinc/07/97/75/981079775.db2.gz VVWDLGKOFGGLPS-QMTHXVAHSA-N -1 3 376.375 3.090 20 0 GGADHM Cc1nn(C)c(CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1Cl ZINC000904031627 981082600 /nfs/dbraw/zinc/08/26/00/981082600.db2.gz JLKKVJMDDZQWBU-GFCCVEGCSA-N -1 3 391.777 3.066 20 0 GGADHM CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595444068 981085399 /nfs/dbraw/zinc/08/53/99/981085399.db2.gz IGHQDMCWWSXUAE-CHWSQXEVSA-N -1 3 396.509 3.380 20 0 GGADHM O=C([O-])c1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)nc1 ZINC000905266281 981091547 /nfs/dbraw/zinc/09/15/47/981091547.db2.gz PPLHRIDLFBJNKL-SFHVURJKSA-N -1 3 393.365 3.173 20 0 GGADHM CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595445262 981091812 /nfs/dbraw/zinc/09/18/12/981091812.db2.gz XVMKKAGAVMGZHF-GUYCJALGSA-N -1 3 376.453 3.011 20 0 GGADHM Cc1nn(-c2ccccc2F)cc1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905747843 981134944 /nfs/dbraw/zinc/13/49/44/981134944.db2.gz CLJUCLHWBASIQI-CYBMUJFWSA-N -1 3 386.452 3.464 20 0 GGADHM COc1ccc(-n2cc(CN3CC[C@@H](c4ncc(C(=O)[O-])s4)C3)cn2)cc1 ZINC000905748366 981136310 /nfs/dbraw/zinc/13/63/10/981136310.db2.gz GLPLAWSTDXZWTF-CQSZACIVSA-N -1 3 384.461 3.025 20 0 GGADHM Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905749715 981136833 /nfs/dbraw/zinc/13/68/33/981136833.db2.gz MTOOAPPCLVAQEN-ZDUSSCGKSA-N -1 3 386.452 3.464 20 0 GGADHM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC000907557239 981188859 /nfs/dbraw/zinc/18/88/59/981188859.db2.gz CLKUZGSWTBJQQI-HYBUGGRVSA-N -1 3 392.499 3.198 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)[C@@]3(C(=O)[O-])C[C@H]3c3ccccc3)cc2)CC1 ZINC000907791029 981220718 /nfs/dbraw/zinc/22/07/18/981220718.db2.gz ULDSJCGUNQAFMG-NZQKXSOJSA-N -1 3 393.487 3.026 20 0 GGADHM CC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CCN1Cc1ccccc1 ZINC001595484447 981221490 /nfs/dbraw/zinc/22/14/90/981221490.db2.gz QWUPELGTGHXNEL-LEWJYISDSA-N -1 3 396.487 3.195 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC000907805022 981224782 /nfs/dbraw/zinc/22/47/82/981224782.db2.gz DEGKUMFOAKDJMI-YPHICONVSA-N -1 3 378.472 3.197 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC000907805019 981224990 /nfs/dbraw/zinc/22/49/90/981224990.db2.gz DEGKUMFOAKDJMI-KNLNXMFASA-N -1 3 378.472 3.197 20 0 GGADHM CC[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H]1O ZINC001595490930 981243867 /nfs/dbraw/zinc/24/38/67/981243867.db2.gz IMWNXAGVFYQCIZ-MEBBXXQBSA-N -1 3 384.263 3.080 20 0 GGADHM CCCN(C(=O)c1ccoc1CC(=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000908090855 981260014 /nfs/dbraw/zinc/26/00/14/981260014.db2.gz GEBSPGPOKNBFCT-UHFFFAOYSA-N -1 3 384.476 3.424 20 0 GGADHM CC[C@H]1Oc2cc([C@H](C)NCc3cc(C(=O)[O-])c4n3CCCC4)ccc2NC1=O ZINC001595499503 981264758 /nfs/dbraw/zinc/26/47/58/981264758.db2.gz KIWNRKUAGJVKPL-ORAYPTAESA-N -1 3 397.475 3.483 20 0 GGADHM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cccc(CN3CCCCC3)c1)C2 ZINC000908153382 981270621 /nfs/dbraw/zinc/27/06/21/981270621.db2.gz MVSKEPRJBAJHAL-UHFFFAOYSA-N -1 3 394.471 3.406 20 0 GGADHM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908229062 981284665 /nfs/dbraw/zinc/28/46/65/981284665.db2.gz KXKMVRHIPVOBQJ-TZIWHRDSSA-N -1 3 398.478 3.240 20 0 GGADHM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000908234491 981285914 /nfs/dbraw/zinc/28/59/14/981285914.db2.gz JQWCUTABWCWRHI-OAQYLSRUSA-N -1 3 380.488 3.488 20 0 GGADHM CC[C@H](CNC(=O)c1ccccc1CCC(=O)[O-])N1CCc2ccccc2C1 ZINC000908720478 981347036 /nfs/dbraw/zinc/34/70/36/981347036.db2.gz MCJYFWRKEUQKLR-HXUWFJFHSA-N -1 3 380.488 3.271 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N(CC(=O)[O-])C3CCCCC3)cc2)CC1 ZINC000909002593 981400152 /nfs/dbraw/zinc/40/01/52/981400152.db2.gz BTTWDQGAAKKDCL-UHFFFAOYSA-N -1 3 387.524 3.077 20 0 GGADHM O=C([O-])CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000909005371 981400737 /nfs/dbraw/zinc/40/07/37/981400737.db2.gz UQGZEXDAUYXNNW-QGZVFWFLSA-N -1 3 376.472 3.284 20 0 GGADHM O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000909126114 981422123 /nfs/dbraw/zinc/42/21/23/981422123.db2.gz JUOBZJGXRXJGAB-MRXNPFEDSA-N -1 3 386.423 3.140 20 0 GGADHM CN(C)Cc1cccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000909135397 981425146 /nfs/dbraw/zinc/42/51/46/981425146.db2.gz WWBXTGJIMATEDP-UHFFFAOYSA-N -1 3 377.444 3.126 20 0 GGADHM O=C([O-])[C@H](CNC(=O)c1cccc(CN2CCCCC2)c1)Cc1cccc(F)c1 ZINC000909237336 981440922 /nfs/dbraw/zinc/44/09/22/981440922.db2.gz GOSRUFJXBSFSTP-FQEVSTJZSA-N -1 3 398.478 3.485 20 0 GGADHM CCC[C@@](C)(NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001595559747 981442596 /nfs/dbraw/zinc/44/25/96/981442596.db2.gz AAIPYFPLAPKGTA-JOCHJYFZSA-N -1 3 398.459 3.415 20 0 GGADHM CCC[C@@](C)(NCc1nc(Br)c(Br)n1CC)C(=O)[O-] ZINC001595560101 981445436 /nfs/dbraw/zinc/44/54/36/981445436.db2.gz WBUHLCBFNPIONF-GFCCVEGCSA-N -1 3 397.111 3.161 20 0 GGADHM C[C@H](C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])N1CCCCCC1 ZINC000909262435 981450721 /nfs/dbraw/zinc/45/07/21/981450721.db2.gz SPGGIGMLZFNRPU-UTKZUKDTSA-N -1 3 382.504 3.464 20 0 GGADHM C[C@@H](C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])N1CCCCCC1 ZINC000909262436 981450809 /nfs/dbraw/zinc/45/08/09/981450809.db2.gz SPGGIGMLZFNRPU-UWJYYQICSA-N -1 3 382.504 3.464 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC000909294083 981462211 /nfs/dbraw/zinc/46/22/11/981462211.db2.gz DCGLKGOKKLQNPW-UHFFFAOYSA-N -1 3 381.476 3.152 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC000909504188 981512821 /nfs/dbraw/zinc/51/28/21/981512821.db2.gz BGXMPEDNYSWJSP-UHFFFAOYSA-N -1 3 381.476 3.096 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000909508065 981515640 /nfs/dbraw/zinc/51/56/40/981515640.db2.gz AOBGELXKRXTIJN-UHFFFAOYSA-N -1 3 396.443 3.230 20 0 GGADHM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000909510409 981518396 /nfs/dbraw/zinc/51/83/96/981518396.db2.gz SSXQBSYSMRAOOK-UHFFFAOYSA-N -1 3 382.460 3.018 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3cc(C(=O)[O-])c(C)cc3C)CC2)c1 ZINC000909512444 981519723 /nfs/dbraw/zinc/51/97/23/981519723.db2.gz DUNGMVLOCQPLJD-UHFFFAOYSA-N -1 3 395.503 3.461 20 0 GGADHM C[C@@H](Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000909520002 981526191 /nfs/dbraw/zinc/52/61/91/981526191.db2.gz LQBUMMMABWXNGJ-SFHVURJKSA-N -1 3 395.503 3.101 20 0 GGADHM C[C@](CNC(=O)c1cccc(CN2CCCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000909602084 981550246 /nfs/dbraw/zinc/55/02/46/981550246.db2.gz SYVDJSOMNLVZBE-HSZRJFAPSA-N -1 3 380.488 3.445 20 0 GGADHM CN(C)Cc1cccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000909628505 981556422 /nfs/dbraw/zinc/55/64/22/981556422.db2.gz JURLNLQQXSKYLY-RBUKOAKNSA-N -1 3 386.879 3.342 20 0 GGADHM C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000909787705 981623860 /nfs/dbraw/zinc/62/38/60/981623860.db2.gz DRIXKVHZWQIDSH-INIZCTEOSA-N -1 3 382.460 3.237 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC000909791965 981628875 /nfs/dbraw/zinc/62/88/75/981628875.db2.gz XBCAWIHKYRZYMU-GHTZIAJQSA-N -1 3 380.488 3.441 20 0 GGADHM CN(CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)CC(C)(C)C ZINC000909805550 981633326 /nfs/dbraw/zinc/63/33/26/981633326.db2.gz AQRMLCPFPCMQLA-UHFFFAOYSA-N -1 3 375.494 3.102 20 0 GGADHM CC(C)N1CCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000909805860 981634218 /nfs/dbraw/zinc/63/42/18/981634218.db2.gz KYHFMCSPLCPSGP-MRXNPFEDSA-N -1 3 397.313 3.125 20 0 GGADHM C[C@H](C(=O)N(CC(=O)[O-])Cc1cccc(Br)c1)N1CCCCCC1 ZINC000909806756 981634262 /nfs/dbraw/zinc/63/42/62/981634262.db2.gz PUSQAYGYNLWQTA-CQSZACIVSA-N -1 3 397.313 3.127 20 0 GGADHM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000909864089 981688967 /nfs/dbraw/zinc/68/89/67/981688967.db2.gz YFNGZVYAIKFLJQ-QHCPKHFHSA-N -1 3 378.472 3.151 20 0 GGADHM CCC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2Br)CCN1CCOC ZINC001595624971 981741307 /nfs/dbraw/zinc/74/13/07/981741307.db2.gz LJEXMUPCUHFKOZ-MRXNPFEDSA-N -1 3 399.329 3.080 20 0 GGADHM CCC[C@H]1CN([C@H](C(=O)[O-])c2cccc(Br)c2)CCN1CCOC ZINC001595625696 981751381 /nfs/dbraw/zinc/75/13/81/981751381.db2.gz YECDPNNXUXYWOU-IRXDYDNUSA-N -1 3 399.329 3.008 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000910301424 981858503 /nfs/dbraw/zinc/85/85/03/981858503.db2.gz MBPNSFNXDOJAAM-YZGWKJHDSA-N -1 3 379.460 3.120 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000910301828 981859852 /nfs/dbraw/zinc/85/98/52/981859852.db2.gz ZHVFJWPZRYHHAG-LEWJYISDSA-N -1 3 393.487 3.026 20 0 GGADHM Cc1nc2scc(CC(C)C)c2c(N2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC000910455849 981941399 /nfs/dbraw/zinc/94/13/99/981941399.db2.gz JVAOSIRWJJGIFF-CYBMUJFWSA-N -1 3 376.526 3.183 20 0 GGADHM Cc1nc2sc3c(c2c(N2CCN(CCC(=O)[O-])C[C@H]2C)n1)CC[C@@H](C)C3 ZINC000910459344 981943736 /nfs/dbraw/zinc/94/37/36/981943736.db2.gz YEZADTRTEIPFAP-CHWSQXEVSA-N -1 3 388.537 3.110 20 0 GGADHM C[C@H](C(=O)N[C@H](CC(=O)[O-])C1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000910568498 981995683 /nfs/dbraw/zinc/99/56/83/981995683.db2.gz UGDVAMBHDXKZPC-DYESRHJHSA-N -1 3 386.536 3.479 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC000910678253 982052846 /nfs/dbraw/zinc/05/28/46/982052846.db2.gz VWTKFECWLHKJIX-LLVKDONJSA-N -1 3 399.472 3.393 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC000910678254 982052969 /nfs/dbraw/zinc/05/29/69/982052969.db2.gz VWTKFECWLHKJIX-NSHDSACASA-N -1 3 399.472 3.393 20 0 GGADHM CC[C@@H](C)[C@@H](C(=O)OC)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872822 982189574 /nfs/dbraw/zinc/18/95/74/982189574.db2.gz GGNJLWWKIOFLCV-CAPXZKIUSA-N -1 3 398.297 3.137 20 0 GGADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881073 982234056 /nfs/dbraw/zinc/23/40/56/982234056.db2.gz MFNSZWXDNFHTHX-CMPLNLGQSA-N -1 3 396.509 3.379 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)c(C)c2)CC1 ZINC000911098554 982236452 /nfs/dbraw/zinc/23/64/52/982236452.db2.gz IGUATONOXBVEKC-UHFFFAOYSA-N -1 3 385.508 3.111 20 0 GGADHM CCc1ccc([C@H](CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])N(C)C)cc1 ZINC000911105097 982239482 /nfs/dbraw/zinc/23/94/82/982239482.db2.gz OZDWDSSUBAAMNP-FQEVSTJZSA-N -1 3 393.487 3.390 20 0 GGADHM CCN(CC)[C@H](CNC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC000911131967 982252400 /nfs/dbraw/zinc/25/24/00/982252400.db2.gz DACOTRYREOWTGR-JBVUFVISSA-N -1 3 386.448 3.199 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cccc(OC)c1 ZINC000911132791 982253079 /nfs/dbraw/zinc/25/30/79/982253079.db2.gz TYSIURNIXQXRKH-ANGAQGJPSA-N -1 3 386.448 3.199 20 0 GGADHM CCN(CC)[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cccc(OC)c1 ZINC000911132740 982253236 /nfs/dbraw/zinc/25/32/36/982253236.db2.gz REUHVMOGMMGPCQ-OSFYOIPJSA-N -1 3 388.508 3.229 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cccc(OC)c1 ZINC000911133094 982253509 /nfs/dbraw/zinc/25/35/09/982253509.db2.gz TYSIURNIXQXRKH-SIKDUDHDSA-N -1 3 386.448 3.199 20 0 GGADHM Cc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)cc(C)c1OCC(=O)[O-] ZINC000911168463 982265284 /nfs/dbraw/zinc/26/52/84/982265284.db2.gz SDXLASYSYKOUPJ-UHFFFAOYSA-N -1 3 388.508 3.105 20 0 GGADHM CCN1CCN(Cc2ccc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)cc2)CC1 ZINC000911189036 982274588 /nfs/dbraw/zinc/27/45/88/982274588.db2.gz UAUOGPVQLAIGMP-UHFFFAOYSA-N -1 3 381.476 3.083 20 0 GGADHM O=C([O-])c1cn(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc12 ZINC000911221170 982290950 /nfs/dbraw/zinc/29/09/50/982290950.db2.gz QOHGAOHOHBCVCZ-GOSISDBHSA-N -1 3 391.471 3.120 20 0 GGADHM CN1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000911231808 982303902 /nfs/dbraw/zinc/30/39/02/982303902.db2.gz ZCKCCTCCNKQTHG-BBRMVZONSA-N -1 3 386.473 3.046 20 0 GGADHM CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911240224 982309489 /nfs/dbraw/zinc/30/94/89/982309489.db2.gz UNBVUTGOHPQTJV-QGZVFWFLSA-N -1 3 385.439 3.046 20 0 GGADHM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000911248217 982311133 /nfs/dbraw/zinc/31/11/33/982311133.db2.gz PNEXLDOPOFTWSN-SFHVURJKSA-N -1 3 384.476 3.418 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000911301079 982332673 /nfs/dbraw/zinc/33/26/73/982332673.db2.gz YXMXIXXHVQDLPF-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM O=C([O-])c1ccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000911321941 982345412 /nfs/dbraw/zinc/34/54/12/982345412.db2.gz FOYVOSRYBBRACG-UHFFFAOYSA-N -1 3 384.501 3.157 20 0 GGADHM O=C([O-])C1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC2(CCC2)C1 ZINC000911327858 982352582 /nfs/dbraw/zinc/35/25/82/982352582.db2.gz QWLRESUKKVYWMF-UHFFFAOYSA-N -1 3 384.520 3.189 20 0 GGADHM CC1CCC(N2CCN(C(=O)Cn3cc(C(=O)[O-])c4ccccc43)CC2)CC1 ZINC000911384594 982407378 /nfs/dbraw/zinc/40/73/78/982407378.db2.gz FFRJLQZFLQQNBM-UHFFFAOYSA-N -1 3 383.492 3.062 20 0 GGADHM O=C([O-])c1cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc2[nH]ccc21 ZINC000911386885 982410928 /nfs/dbraw/zinc/41/09/28/982410928.db2.gz KMWOIGNDBFNMKK-OAHLLOKOSA-N -1 3 378.432 3.112 20 0 GGADHM C[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000911501771 982459479 /nfs/dbraw/zinc/45/94/79/982459479.db2.gz WXFFSNPQFXJSAC-SFHVURJKSA-N -1 3 380.488 3.440 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc(C)c1OCC(=O)[O-] ZINC000911545951 982489630 /nfs/dbraw/zinc/48/96/30/982489630.db2.gz NSPBAJGYAAJPFZ-OXJNMPFZSA-N -1 3 384.476 3.188 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)c2)CC1 ZINC000911552906 982494302 /nfs/dbraw/zinc/49/43/02/982494302.db2.gz OQZVOVZEWHHLTO-UHFFFAOYSA-N -1 3 385.508 3.191 20 0 GGADHM CCCCOc1cccc(CNC(=O)CN[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001595780842 982553784 /nfs/dbraw/zinc/55/37/84/982553784.db2.gz QOCSZGGZGBTSRR-JOCHJYFZSA-N -1 3 390.524 3.495 20 0 GGADHM CCCCOc1cccc(CNC(=O)CN[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001595780843 982554533 /nfs/dbraw/zinc/55/45/33/982554533.db2.gz QOCSZGGZGBTSRR-QFIPXVFZSA-N -1 3 390.524 3.495 20 0 GGADHM CCCCc1nnc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC001595798719 982610800 /nfs/dbraw/zinc/61/08/00/982610800.db2.gz FRPXBCJCMHBCOM-MRXNPFEDSA-N -1 3 390.509 3.261 20 0 GGADHM C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911772090 982641730 /nfs/dbraw/zinc/64/17/30/982641730.db2.gz DXTDXPGOERVNHE-RYGJVYDSSA-N -1 3 384.451 3.021 20 0 GGADHM CCCN(C(=O)CCc1ocnc1C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595816455 982673264 /nfs/dbraw/zinc/67/32/64/982673264.db2.gz KSXPNOVLIJBIEI-SFHVURJKSA-N -1 3 399.491 3.209 20 0 GGADHM CC[C@H](C)C[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001594953095 982677033 /nfs/dbraw/zinc/67/70/33/982677033.db2.gz NCXNDKYGTUGMFZ-JOYOIKCWSA-N -1 3 379.213 3.409 20 0 GGADHM CCCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@H]1CCN(C)C1 ZINC001595821132 982688067 /nfs/dbraw/zinc/68/80/67/982688067.db2.gz JMWWDLSYFSBHQZ-LBPRGKRZSA-N -1 3 398.301 3.404 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836653 982743673 /nfs/dbraw/zinc/74/36/73/982743673.db2.gz HCYUFVXXKWMDCE-XYPHTWIQSA-N -1 3 381.904 3.085 20 0 GGADHM CCCN(C)[C@H](CNC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595836707 982744890 /nfs/dbraw/zinc/74/48/90/982744890.db2.gz KDBXAWNDLNVWAQ-QGZVFWFLSA-N -1 3 375.856 3.246 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595836711 982744928 /nfs/dbraw/zinc/74/49/28/982744928.db2.gz KLASNXMSPVVTGZ-AWEZNQCLSA-N -1 3 381.885 3.308 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595837098 982746285 /nfs/dbraw/zinc/74/62/85/982746285.db2.gz UQJWPYMXIDCFIG-IRXDYDNUSA-N -1 3 381.904 3.372 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595837099 982746775 /nfs/dbraw/zinc/74/67/75/982746775.db2.gz UQJWPYMXIDCFIG-SJORKVTESA-N -1 3 381.904 3.372 20 0 GGADHM O=C([O-])[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCCCC1 ZINC000923172869 982821644 /nfs/dbraw/zinc/82/16/44/982821644.db2.gz DNHPSTLBYHTEMA-WOJBJXKFSA-N -1 3 387.524 3.081 20 0 GGADHM O=C([O-])[C@@H]1CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H]1C1CC1 ZINC000923529860 982860435 /nfs/dbraw/zinc/86/04/35/982860435.db2.gz CGDVTTLSSGICLO-LEWJYISDSA-N -1 3 394.471 3.247 20 0 GGADHM CC[C@@H](C)N[C@@H](CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccco1 ZINC001594994519 982876791 /nfs/dbraw/zinc/87/67/91/982876791.db2.gz NIVYLOCKAUFXHL-KDOFPFPSSA-N -1 3 385.464 3.175 20 0 GGADHM CCCN(CCN1CCCCC1)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001595879221 982879162 /nfs/dbraw/zinc/87/91/62/982879162.db2.gz MKHILPUCGQSVFL-UHFFFAOYSA-N -1 3 393.484 3.132 20 0 GGADHM CCCN(CCN(CC)CC)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001595879420 982880081 /nfs/dbraw/zinc/88/00/81/982880081.db2.gz MIFXQPHKWKJNQS-UHFFFAOYSA-N -1 3 392.521 3.281 20 0 GGADHM CC[C@@H](C)N[C@H](CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccco1 ZINC001594994677 982881123 /nfs/dbraw/zinc/88/11/23/982881123.db2.gz OTMHRLFNBDIAGV-RDTXWAMCSA-N -1 3 385.464 3.175 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccco1 ZINC001594994674 982881177 /nfs/dbraw/zinc/88/11/77/982881177.db2.gz OTMHRLFNBDIAGV-KBXCAEBGSA-N -1 3 385.464 3.175 20 0 GGADHM CCCN(CCN(CC)CC)S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001595880005 982884332 /nfs/dbraw/zinc/88/43/32/982884332.db2.gz UGAAUSXFILBOQZ-UHFFFAOYSA-N -1 3 396.962 3.151 20 0 GGADHM CCCN(CCN1CCCCC1)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595880506 982890979 /nfs/dbraw/zinc/89/09/79/982890979.db2.gz YUZMMWLYLYDAJH-UHFFFAOYSA-N -1 3 381.542 3.200 20 0 GGADHM CCCN(CCNCc1ccccc1O[C@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001595882016 982892832 /nfs/dbraw/zinc/89/28/32/982892832.db2.gz BAHASZSTNIBPAC-OAHLLOKOSA-N -1 3 380.485 3.275 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccco1 ZINC001594995377 982894348 /nfs/dbraw/zinc/89/43/48/982894348.db2.gz WNWBPLRYPQXBSG-SWLSCSKDSA-N -1 3 375.425 3.237 20 0 GGADHM CCCN(Cc1nc(C(=O)[O-])cs1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001595891449 982926123 /nfs/dbraw/zinc/92/61/23/982926123.db2.gz SQPZOBDMUHMZPH-UHFFFAOYSA-N -1 3 383.514 3.453 20 0 GGADHM CCCN1CCC(N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC001595904217 982973435 /nfs/dbraw/zinc/97/34/35/982973435.db2.gz ZBBNTCXMIZEDOA-UHFFFAOYSA-N -1 3 396.534 3.094 20 0 GGADHM CCN(C)c1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cn1 ZINC001119537453 982983411 /nfs/dbraw/zinc/98/34/11/982983411.db2.gz ZIIVHCCEPFWRLC-SJORKVTESA-N -1 3 375.419 3.116 20 0 GGADHM CCCOc1ccc(Cl)cc1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001595962230 983164715 /nfs/dbraw/zinc/16/47/15/983164715.db2.gz ZYMQGPALHCQBEU-UHFFFAOYSA-N -1 3 383.876 3.142 20 0 GGADHM CCN(C(=O)CN[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)C1CCCCC1 ZINC001596142990 983495819 /nfs/dbraw/zinc/49/58/19/983495819.db2.gz JFNHEFJDZGMSEN-NRFANRHFSA-N -1 3 376.497 3.156 20 0 GGADHM CCN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596148838 983505809 /nfs/dbraw/zinc/50/58/09/983505809.db2.gz DISHGXBHYMNQFU-LJQANCHMSA-N -1 3 387.524 3.328 20 0 GGADHM CCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596151346 983511685 /nfs/dbraw/zinc/51/16/85/983511685.db2.gz VCHNPYCLKMYWTK-FQEVSTJZSA-N -1 3 381.476 3.442 20 0 GGADHM CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596155641 983513971 /nfs/dbraw/zinc/51/39/71/983513971.db2.gz IGHAXDUYEFCQOU-HUUCEWRRSA-N -1 3 380.485 3.274 20 0 GGADHM CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001596155640 983513992 /nfs/dbraw/zinc/51/39/92/983513992.db2.gz IGHAXDUYEFCQOU-CABCVRRESA-N -1 3 380.485 3.274 20 0 GGADHM CCN(C)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)cn1 ZINC001596194216 983576970 /nfs/dbraw/zinc/57/69/70/983576970.db2.gz FLVKKJGEBUBCDJ-SFHVURJKSA-N -1 3 392.297 3.390 20 0 GGADHM CCN(C)c1ccc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cn1 ZINC001596194940 983578122 /nfs/dbraw/zinc/57/81/22/983578122.db2.gz ZIIVHCCEPFWRLC-DLBZAZTESA-N -1 3 375.419 3.116 20 0 GGADHM CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001596228956 983620876 /nfs/dbraw/zinc/62/08/76/983620876.db2.gz YONUEBPHYKSCAJ-SJLPKXTDSA-N -1 3 383.492 3.361 20 0 GGADHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001596237217 983634431 /nfs/dbraw/zinc/63/44/31/983634431.db2.gz JYZJGCFGCOGWTI-LJQANCHMSA-N -1 3 385.508 3.406 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccsc1 ZINC001596254088 983660542 /nfs/dbraw/zinc/66/05/42/983660542.db2.gz AJZSFNOGNDSAEZ-KRWDZBQOSA-N -1 3 391.493 3.416 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccsc1 ZINC001596254497 983663644 /nfs/dbraw/zinc/66/36/44/983663644.db2.gz QFDRXLXDNQFLHE-MRXNPFEDSA-N -1 3 379.482 3.230 20 0 GGADHM CCN(CC)[C@H](CNC(=O)C12CC(C(=O)[O-])(C1)C2)c1ccc(C(F)(F)F)cc1 ZINC001596254739 983664892 /nfs/dbraw/zinc/66/48/92/983664892.db2.gz YZZRTHSOXOLOFQ-VNCLNFNDSA-N -1 3 398.425 3.459 20 0 GGADHM CCN(CCNC(=O)OC(C)(C)C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596335355 983780624 /nfs/dbraw/zinc/78/06/24/983780624.db2.gz MXGHHTYNMSYPHK-UHFFFAOYSA-N -1 3 393.459 3.362 20 0 GGADHM CCN1C[C@@H](CN(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)Oc2ccccc21 ZINC001596396056 983939014 /nfs/dbraw/zinc/93/90/14/983939014.db2.gz MUSXGILXNCBRGX-VQIMIIECSA-N -1 3 384.476 3.258 20 0 GGADHM CCN1C[C@H](CN(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)Oc2ccccc21 ZINC001596396054 983939059 /nfs/dbraw/zinc/93/90/59/983939059.db2.gz MUSXGILXNCBRGX-LPHOPBHVSA-N -1 3 384.476 3.258 20 0 GGADHM CCN1CC[C@H](N(C)S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C[C@@H]1C ZINC001596407222 983976196 /nfs/dbraw/zinc/97/61/96/983976196.db2.gz BGXCUAWMIXPFTA-YOEHRIQHSA-N -1 3 390.505 3.031 20 0 GGADHM CCN1CCN(c2cccc(NCc3cc(C(=O)[O-])c4n3CCCC4)c2)CC1 ZINC001596441834 984130156 /nfs/dbraw/zinc/13/01/56/984130156.db2.gz CBXDOWZWXZWKFP-UHFFFAOYSA-N -1 3 382.508 3.277 20 0 GGADHM CCOC(=O)[C@]1(C(C)C)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001596551133 984411952 /nfs/dbraw/zinc/41/19/52/984411952.db2.gz FSLDKZPFEVDDPX-LJQANCHMSA-N -1 3 383.872 3.328 20 0 GGADHM CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC001596551161 984412385 /nfs/dbraw/zinc/41/23/85/984412385.db2.gz FLJCJDUSWIGCBR-WMLDXEAASA-N -1 3 384.270 3.359 20 0 GGADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001596594934 984545982 /nfs/dbraw/zinc/54/59/82/984545982.db2.gz ZCVKFGMIZOCUEF-QGZVFWFLSA-N -1 3 386.448 3.322 20 0 GGADHM CCOC(=O)CCCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001596603998 984567602 /nfs/dbraw/zinc/56/76/02/984567602.db2.gz VJABRPBJFDCVPX-MRXNPFEDSA-N -1 3 398.297 3.384 20 0 GGADHM CCOC(=O)N1CCC([C@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001596644118 984648218 /nfs/dbraw/zinc/64/82/18/984648218.db2.gz FQEATAORYGLMKW-MEDUHNTESA-N -1 3 386.851 3.451 20 0 GGADHM CCOC(=O)c1[nH]c2ccc(C)cc2c1CN(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001596692035 984812105 /nfs/dbraw/zinc/81/21/05/984812105.db2.gz TXBZKZGGTMYOQQ-SFHVURJKSA-N -1 3 388.464 3.107 20 0 GGADHM CCOC(=O)c1[nH]c2ccc(C)cc2c1CN(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001596692034 984813044 /nfs/dbraw/zinc/81/30/44/984813044.db2.gz TXBZKZGGTMYOQQ-GOSISDBHSA-N -1 3 388.464 3.107 20 0 GGADHM CCOC(=O)c1cnn(C2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)c1C ZINC001596743130 985055490 /nfs/dbraw/zinc/05/54/90/985055490.db2.gz FQGGZOKKICJJLV-CYBMUJFWSA-N -1 3 375.425 3.058 20 0 GGADHM CCOC(=O)c1csc(C2CCN(CCc3ccccc3C(=O)[O-])CC2)n1 ZINC001596747214 985073203 /nfs/dbraw/zinc/07/32/03/985073203.db2.gz VHNQJCBOKGZFEU-UHFFFAOYSA-N -1 3 388.489 3.440 20 0 GGADHM C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H](C)N1C ZINC001599930562 985307325 /nfs/dbraw/zinc/30/73/25/985307325.db2.gz WADPWSIMCJGJTN-TXEJJXNPSA-N -1 3 397.306 3.402 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)[C@H]1n1cccn1 ZINC001596833607 985471054 /nfs/dbraw/zinc/47/10/54/985471054.db2.gz PADDGJZIJSOAAX-XUWVNRHRSA-N -1 3 384.263 3.324 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)[C@H]1n1cccn1 ZINC001596833608 985471144 /nfs/dbraw/zinc/47/11/44/985471144.db2.gz PADDGJZIJSOAAX-ZJIFWQFVSA-N -1 3 384.263 3.324 20 0 GGADHM Cc1[nH]c(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001599949145 985578073 /nfs/dbraw/zinc/57/80/73/985578073.db2.gz BRILCPNRYQNYBR-SFHVURJKSA-N -1 3 383.492 3.456 20 0 GGADHM CCOC[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C(C)C ZINC001596888844 985798925 /nfs/dbraw/zinc/79/89/25/985798925.db2.gz AOOFZEIEPGTBOE-GXTWGEPZSA-N -1 3 382.526 3.160 20 0 GGADHM Cc1[nH]c(CN[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001599964076 985861338 /nfs/dbraw/zinc/86/13/38/985861338.db2.gz XUOKCQUVGHXJEV-INIZCTEOSA-N -1 3 385.464 3.477 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001589249365 985869796 /nfs/dbraw/zinc/86/97/96/985869796.db2.gz PWNRYBNHGBDSJQ-XUWXXGDYSA-N -1 3 384.476 3.327 20 0 GGADHM C[C@H]1CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532095 986129090 /nfs/dbraw/zinc/12/90/90/986129090.db2.gz TYXXQMVWMQJFQG-ADYPVZHUSA-N -1 3 380.488 3.370 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542251 986181021 /nfs/dbraw/zinc/18/10/21/986181021.db2.gz IBHCWZXCFMRAKI-JXFKEZNVSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542936 986191328 /nfs/dbraw/zinc/19/13/28/986191328.db2.gz WGTIXAFJYBYKCK-SJKOYZFVSA-N -1 3 389.402 3.305 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001594544585 986201049 /nfs/dbraw/zinc/20/10/49/986201049.db2.gz KSLAFCLVRWFYSK-KRWDZBQOSA-N -1 3 397.475 3.136 20 0 GGADHM CCO[C@@H]1CN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001596975006 986211614 /nfs/dbraw/zinc/21/16/14/986211614.db2.gz RKSXHFBIVTYGBC-IIAWOOMASA-N -1 3 396.484 3.209 20 0 GGADHM C[C@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H](C)C1O ZINC001594548626 986240551 /nfs/dbraw/zinc/24/05/51/986240551.db2.gz VJTNCMGWVHUBBQ-QWRGUYRKSA-N -1 3 398.290 3.326 20 0 GGADHM C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cc(C(=O)[O-])cs1 ZINC001594578396 986431383 /nfs/dbraw/zinc/43/13/83/986431383.db2.gz YQSPCCCLMBUJGT-HZSPNIEDSA-N -1 3 375.494 3.306 20 0 GGADHM CCOc1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030403 986443987 /nfs/dbraw/zinc/44/39/87/986443987.db2.gz AFZRUQZUCQZAEJ-WMLDXEAASA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN2C[C@H](O)CC[C@H]2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031035 986447567 /nfs/dbraw/zinc/44/75/67/986447567.db2.gz HUWUTGNODYOMPQ-GDBMZVCRSA-N -1 3 389.448 3.301 20 0 GGADHM CCOc1cc(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cc(Cl)c1O ZINC001597031141 986447591 /nfs/dbraw/zinc/44/75/91/986447591.db2.gz JEBAIFRAWWWPNU-IBGZPJMESA-N -1 3 383.872 3.026 20 0 GGADHM CCOc1cc(CN2CCC(CO)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032369 986454859 /nfs/dbraw/zinc/45/48/59/986454859.db2.gz SDCANJPOODFOLY-UHFFFAOYSA-N -1 3 389.448 3.160 20 0 GGADHM CCOc1cc(CN(C)[C@@H]2CCOC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597034127 986467165 /nfs/dbraw/zinc/46/71/65/986467165.db2.gz WFKITIDDTJULME-OAHLLOKOSA-N -1 3 375.421 3.176 20 0 GGADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1O ZINC001597036006 986474621 /nfs/dbraw/zinc/47/46/21/986474621.db2.gz SFUOQUXFIGBSNH-MRXNPFEDSA-N -1 3 380.238 3.469 20 0 GGADHM CCOc1cc(N2CCN(C)CC2)ccc1NC1CCC(CC(=O)[O-])CC1 ZINC001597042112 986490764 /nfs/dbraw/zinc/49/07/64/986490764.db2.gz KGTWJEKAANDBPM-UHFFFAOYSA-N -1 3 375.513 3.283 20 0 GGADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589389385 986503933 /nfs/dbraw/zinc/50/39/33/986503933.db2.gz ZMECYOLVRUXYLJ-ABSDTBQOSA-N -1 3 380.488 3.323 20 0 GGADHM C[C@@H]1COCCN1C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607778 986586780 /nfs/dbraw/zinc/58/67/80/986586780.db2.gz ZXYUZORUJQKOIQ-SJKOYZFVSA-N -1 3 387.307 3.304 20 0 GGADHM CCOc1ccc(C[C@@H](CNCc2nc(Br)cs2)C(=O)[O-])cc1 ZINC001597094352 986676793 /nfs/dbraw/zinc/67/67/93/986676793.db2.gz DTYRJLIAGWOFJU-LBPRGKRZSA-N -1 3 399.310 3.337 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597172505 987003827 /nfs/dbraw/zinc/00/38/27/987003827.db2.gz FQPMFUUTUXDHDU-WMZOPIPTSA-N -1 3 390.524 3.475 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC001589602295 987432215 /nfs/dbraw/zinc/43/22/15/987432215.db2.gz XCPMAZKGEZDGOX-GOSISDBHSA-N -1 3 375.490 3.043 20 0 GGADHM CC[C@@H]1[C@@H](NCc2ccccc2O[C@H](C)C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001597310976 987433072 /nfs/dbraw/zinc/43/30/72/987433072.db2.gz KQVKZTXJHBGCLG-HYVNUMGLSA-N -1 3 392.496 3.416 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001589621469 987502980 /nfs/dbraw/zinc/50/29/80/987502980.db2.gz XQZBYELUPOSWFR-QWHCGFSZSA-N -1 3 385.291 3.104 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NCCc2ccc(-c3ccccc3)cc2)CC1 ZINC001589622868 987508730 /nfs/dbraw/zinc/50/87/30/987508730.db2.gz CHPGEZVVWBMNJJ-UHFFFAOYSA-N -1 3 395.503 3.087 20 0 GGADHM CCc1[nH]c(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001597357827 987510866 /nfs/dbraw/zinc/51/08/66/987510866.db2.gz LWYAIEKVWFSRBK-QGZVFWFLSA-N -1 3 383.492 3.320 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC001589623273 987512814 /nfs/dbraw/zinc/51/28/14/987512814.db2.gz WJEKGCMNNDSEHL-UHFFFAOYSA-N -1 3 384.929 3.220 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CC1 ZINC001589623584 987515255 /nfs/dbraw/zinc/51/52/55/987515255.db2.gz MCTBISGVWGYTDW-QHCPKHFHSA-N -1 3 399.535 3.146 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@H]2CCc3cccc4cccc2c43)CC1 ZINC001589623482 987515439 /nfs/dbraw/zinc/51/54/39/987515439.db2.gz LHWTVOHBVYFRBZ-SFHVURJKSA-N -1 3 381.476 3.018 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NCC2(c3cccs3)CCCCC2)CC1 ZINC001589623783 987517121 /nfs/dbraw/zinc/51/71/21/987517121.db2.gz PVKYYKPWTLSGRQ-UHFFFAOYSA-N -1 3 393.553 3.140 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 ZINC001589627874 987524865 /nfs/dbraw/zinc/52/48/65/987524865.db2.gz RMJZHRXDFIJHJB-UHFFFAOYSA-N -1 3 397.475 3.278 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC001589631170 987537049 /nfs/dbraw/zinc/53/70/49/987537049.db2.gz GMMMFZCDCRMKCI-UHFFFAOYSA-N -1 3 399.278 3.024 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC001589631181 987537068 /nfs/dbraw/zinc/53/70/68/987537068.db2.gz HOEXZZLAPREUMJ-UHFFFAOYSA-N -1 3 399.278 3.024 20 0 GGADHM CCc1[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c(C)c1C(=O)[O-] ZINC001597367618 987543909 /nfs/dbraw/zinc/54/39/09/987543909.db2.gz XYGXORYWBYEEJY-AWEZNQCLSA-N -1 3 375.494 3.212 20 0 GGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC001589637575 987556455 /nfs/dbraw/zinc/55/64/55/987556455.db2.gz FRTFWFXAUZDIFD-SFHVURJKSA-N -1 3 383.448 3.354 20 0 GGADHM CCc1[nH]c(CN2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001597384290 987586658 /nfs/dbraw/zinc/58/66/58/987586658.db2.gz IYXQWMLMIBOHNI-UHFFFAOYSA-N -1 3 391.512 3.498 20 0 GGADHM CCc1[nH]c(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC001597385058 987593264 /nfs/dbraw/zinc/59/32/64/987593264.db2.gz PVTPQMJEAWLMFC-UHFFFAOYSA-N -1 3 379.501 3.402 20 0 GGADHM CCc1[nH]c(CN[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1C(=O)OC ZINC001597392882 987629322 /nfs/dbraw/zinc/62/93/22/987629322.db2.gz ZNVJUEZGWMHYDQ-LJQANCHMSA-N -1 3 378.856 3.497 20 0 GGADHM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001597456981 987868251 /nfs/dbraw/zinc/86/82/51/987868251.db2.gz GPYXUIMUHVCJFW-UHFFFAOYSA-N -1 3 391.537 3.430 20 0 GGADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC001589742149 988018133 /nfs/dbraw/zinc/01/81/33/988018133.db2.gz PHLDNQCEDXCULO-UHFFFAOYSA-N -1 3 382.530 3.135 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001589745519 988039976 /nfs/dbraw/zinc/03/99/76/988039976.db2.gz NQNCFRRQYMNDJE-KRWDZBQOSA-N -1 3 393.503 3.493 20 0 GGADHM CCc1ccc(C2=CCN(CCCN3C(=O)CS/C3=C\C(=O)[O-])CC2)cc1 ZINC001597516269 988127421 /nfs/dbraw/zinc/12/74/21/988127421.db2.gz CBFQDJHQFQYYSE-ZHZULCJRSA-N -1 3 386.517 3.230 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001589806427 988229533 /nfs/dbraw/zinc/22/95/33/988229533.db2.gz ONTPKPPLSPVHHF-MRXNPFEDSA-N -1 3 387.249 3.298 20 0 GGADHM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(s2)CCNC3)cc1 ZINC001599810716 988329667 /nfs/dbraw/zinc/32/96/67/988329667.db2.gz FYBAODXKNPFELI-AWEZNQCLSA-N -1 3 376.503 3.062 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)c2ccccc2CCC(=O)[O-])N(C)C)cc1 ZINC001599811274 988338436 /nfs/dbraw/zinc/33/84/36/988338436.db2.gz BPYNEEJFCRUDQR-LJQANCHMSA-N -1 3 386.517 3.458 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)c2cc(F)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC001599812364 988359410 /nfs/dbraw/zinc/35/94/10/988359410.db2.gz VGXGGKRTTOMFCD-QGZVFWFLSA-N -1 3 376.453 3.279 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)N(C)C)cc1 ZINC001599812423 988361110 /nfs/dbraw/zinc/36/11/10/988361110.db2.gz WEROIHGLJDZMBC-OAHLLOKOSA-N -1 3 375.494 3.084 20 0 GGADHM CSc1ccc(CN2C[C@@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001599813606 988380793 /nfs/dbraw/zinc/38/07/93/988380793.db2.gz ZFENHSYACUZGES-ZDUSSCGKSA-N -1 3 398.550 3.224 20 0 GGADHM CSc1ccc(CN2C[C@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001599813595 988381260 /nfs/dbraw/zinc/38/12/60/988381260.db2.gz ZFENHSYACUZGES-CYBMUJFWSA-N -1 3 398.550 3.224 20 0 GGADHM CC(C)(C)OC(=O)C1(CNCc2oc(Br)cc2C(=O)[O-])CCC1 ZINC001589854567 988389575 /nfs/dbraw/zinc/38/95/75/988389575.db2.gz CFSZTNCOFMKIQD-UHFFFAOYSA-N -1 3 388.258 3.342 20 0 GGADHM CC(C)(C)OC(=O)C1(CCN2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])CCC1 ZINC001589854706 988391098 /nfs/dbraw/zinc/39/10/98/988391098.db2.gz GCELRHSSKHZCMX-KRWDZBQOSA-N -1 3 375.465 3.106 20 0 GGADHM CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNCc1ccc(/C=C/C(=O)[O-])o1)O2 ZINC001589860095 988423875 /nfs/dbraw/zinc/42/38/75/988423875.db2.gz HRLPYCXPGHYOFM-QJGRPIDCSA-N -1 3 391.464 3.137 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cnc3ccccc3c2)CC12CC(C(=O)[O-])C2 ZINC001589865455 988457729 /nfs/dbraw/zinc/45/77/29/988457729.db2.gz AXTHYFYZHPZKBY-OTQYULQBSA-N -1 3 396.487 3.489 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN([C@H]2C[C@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867188 988483057 /nfs/dbraw/zinc/48/30/57/988483057.db2.gz UHKDEWRXFKKNHS-QHPGTNOESA-N -1 3 389.467 3.436 20 0 GGADHM CC(C)(C)OC(=O)N(CCCN1CCOc2ccccc2[C@@H]1C(=O)[O-])C1CC1 ZINC001589905725 988617533 /nfs/dbraw/zinc/61/75/33/988617533.db2.gz NJYXSAAZDUWHLD-GOSISDBHSA-N -1 3 390.480 3.296 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cncc(C(=O)[O-])c3)CC2)C1 ZINC001589972033 988807115 /nfs/dbraw/zinc/80/71/15/988807115.db2.gz OWKVNSTYYGFXBK-KRWDZBQOSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972024 988807171 /nfs/dbraw/zinc/80/71/71/988807171.db2.gz OPIYMALPNMANLI-IRXDYDNUSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972080 988808371 /nfs/dbraw/zinc/80/83/71/988808371.db2.gz QTQDVCFQVXIGBX-WMLDXEAASA-N -1 3 377.485 3.324 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(Cc1cccc(C(=O)[O-])n1)C2 ZINC001590002621 988920955 /nfs/dbraw/zinc/92/09/55/988920955.db2.gz BMKCTYSQJLMVEK-NRFANRHFSA-N -1 3 389.496 3.393 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(/C=C/C(=O)[O-])o3)CCC[C@@H]12 ZINC001590004050 988937401 /nfs/dbraw/zinc/93/74/01/988937401.db2.gz NPIJDSIEFVVGBH-LMFNFFQTSA-N -1 3 376.453 3.399 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(/C=C/C(=O)[O-])o3)CC[C@@H]21 ZINC001590004619 988944386 /nfs/dbraw/zinc/94/43/86/988944386.db2.gz LWUYPKUJIUMTPA-PALPZSCYSA-N -1 3 376.453 3.209 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005281 988951295 /nfs/dbraw/zinc/95/12/95/988951295.db2.gz PJSSWAFXZXPMBA-DOTOQJQBSA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013695 988977581 /nfs/dbraw/zinc/97/75/81/988977581.db2.gz WRMQEXLDUPANBL-RHSMWYFYSA-N -1 3 393.484 3.374 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024486 989010373 /nfs/dbraw/zinc/01/03/73/989010373.db2.gz AAICOKPILCDBJT-OXQOHEQNSA-N -1 3 375.469 3.073 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc3ncccc3c2)[C@H](C(=O)[O-])C1 ZINC001590034784 989052750 /nfs/dbraw/zinc/05/27/50/989052750.db2.gz MMSLAPJSFAHXMI-SFHVURJKSA-N -1 3 385.464 3.131 20 0 GGADHM CC(C)(C)OC(=O)N1CCOC2(CCN(Cc3csc(C(=O)[O-])c3)CC2)C1 ZINC001590066013 989128053 /nfs/dbraw/zinc/12/80/53/989128053.db2.gz CEWXRSWMPHXBBR-UHFFFAOYSA-N -1 3 396.509 3.048 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@]2(NCc3ccc(/C=C\C(=O)[O-])o3)CCC[C@@H]12 ZINC001590074593 989165189 /nfs/dbraw/zinc/16/51/89/989165189.db2.gz NPIJDSIEFVVGBH-YEPKGFQBSA-N -1 3 376.453 3.399 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CN[C@H](CC(=O)[O-])C(C)(C)C)sc2C1 ZINC001590085150 989200875 /nfs/dbraw/zinc/20/08/75/989200875.db2.gz RUMKCKPURQRMLS-CQSZACIVSA-N -1 3 397.541 3.415 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NCc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001590091267 989205617 /nfs/dbraw/zinc/20/56/17/989205617.db2.gz GLJWNJQEDRCPRH-FRVTXMTISA-N -1 3 376.453 3.257 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599864670 989225468 /nfs/dbraw/zinc/22/54/68/989225468.db2.gz CULBENQVTRZDTG-PXAZEXFGSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599864679 989226147 /nfs/dbraw/zinc/22/61/47/989226147.db2.gz DBFCGUDDCSEIII-SJKOYZFVSA-N -1 3 387.307 3.304 20 0 GGADHM CC(C)(C)OC(=O)N1[C@H](CN2Cc3ccccc3[C@H](C(=O)[O-])C2)COC1(C)C ZINC001590105720 989258168 /nfs/dbraw/zinc/25/81/68/989258168.db2.gz MLKUBELSMFHBFB-NVXWUHKLSA-N -1 3 390.480 3.042 20 0 GGADHM CCc1oc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1C(=O)[O-] ZINC001597800222 989391226 /nfs/dbraw/zinc/39/12/26/989391226.db2.gz ZAKCFZIZWYKIRR-FPOVZHCZSA-N -1 3 384.476 3.016 20 0 GGADHM CCc1oc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)cc1C(=O)[O-] ZINC001597801704 989396153 /nfs/dbraw/zinc/39/61/53/989396153.db2.gz HMHUJNGZOBMOKY-GOSISDBHSA-N -1 3 392.883 3.357 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C(=O)[O-])cc1F)C2 ZINC001590138910 989396876 /nfs/dbraw/zinc/39/68/76/989396876.db2.gz ITNNABVJMZVAPS-RCBQFDQVSA-N -1 3 378.444 3.402 20 0 GGADHM CCc1oc(CNC[C@H](CO)Cc2cccc(Br)c2)cc1C(=O)[O-] ZINC001597801743 989397215 /nfs/dbraw/zinc/39/72/15/989397215.db2.gz IQLHLDLTTVAKMB-CYBMUJFWSA-N -1 3 396.281 3.244 20 0 GGADHM CC(C)(C)OC(=O)NC1CC(N[C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001590139288 989399207 /nfs/dbraw/zinc/39/92/07/989399207.db2.gz LOWHBOBBXMEWEP-QIMFLAQGSA-N -1 3 399.285 3.220 20 0 GGADHM CCc1oc(CNC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1C(=O)[O-] ZINC001597802242 989400048 /nfs/dbraw/zinc/40/00/48/989400048.db2.gz NEUJYPAVOFWGIL-GOSISDBHSA-N -1 3 392.883 3.357 20 0 GGADHM CC(C)(C)OC(=O)NCC1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001590178245 989521735 /nfs/dbraw/zinc/52/17/35/989521735.db2.gz WAUVXULULPVGMK-UHFFFAOYSA-N -1 3 377.485 3.327 20 0 GGADHM CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001590194191 989550387 /nfs/dbraw/zinc/55/03/87/989550387.db2.gz GJQIKTOYIAYWRT-UHFFFAOYSA-N -1 3 398.525 3.342 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])n2)C[C@H]1c1ccccc1 ZINC001590340299 989778708 /nfs/dbraw/zinc/77/87/08/989778708.db2.gz MBEDGTKVHOKIKE-ZWKOTPCHSA-N -1 3 382.460 3.337 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@@H](N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C12CCC2 ZINC001590379130 989885828 /nfs/dbraw/zinc/88/58/28/989885828.db2.gz NIUSYAPULSJCBF-RBSFLKMASA-N -1 3 392.521 3.268 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@@H](N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C12CCC2 ZINC001590379131 989885841 /nfs/dbraw/zinc/88/58/41/989885841.db2.gz NIUSYAPULSJCBF-RRFJBIMHSA-N -1 3 392.521 3.268 20 0 GGADHM CN(C(=O)NCc1ccc(C(=O)[O-])s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001598049911 990302018 /nfs/dbraw/zinc/30/20/18/990302018.db2.gz HSDWAXLMQJSUBE-INIZCTEOSA-N -1 3 387.505 3.252 20 0 GGADHM CN(C(=O)NCc1ccc(C(=O)[O-])s1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001598049912 990302224 /nfs/dbraw/zinc/30/22/24/990302224.db2.gz HSDWAXLMQJSUBE-MRXNPFEDSA-N -1 3 387.505 3.252 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001598066366 990350202 /nfs/dbraw/zinc/35/02/02/990350202.db2.gz JBNVKYMWCQCKLP-HNNXBMFYSA-N -1 3 385.464 3.374 20 0 GGADHM CN(C(=O)c1ccccc1CCC(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001598093108 990437558 /nfs/dbraw/zinc/43/75/58/990437558.db2.gz DNQVSMWZNGYIPP-HXUWFJFHSA-N -1 3 380.488 3.440 20 0 GGADHM CN(C)C(=O)C[C@@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001598121354 990546125 /nfs/dbraw/zinc/54/61/25/990546125.db2.gz GHUWYONCIXOEHK-LJQANCHMSA-N -1 3 377.444 3.242 20 0 GGADHM CN(C)C(=O)c1cccc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)c1 ZINC001598157490 990652974 /nfs/dbraw/zinc/65/29/74/990652974.db2.gz HFKLEWVAEIVVFT-UHFFFAOYSA-N -1 3 394.393 3.494 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598169423 990689129 /nfs/dbraw/zinc/68/91/29/990689129.db2.gz AAFCEVOMGDHJGO-AWEZNQCLSA-N -1 3 393.846 3.472 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)Cc1ccccc1 ZINC001598169446 990689197 /nfs/dbraw/zinc/68/91/97/990689197.db2.gz AEVHDZFSPSITRS-GOSISDBHSA-N -1 3 392.459 3.227 20 0 GGADHM CN(C)[C@@H](CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)c1ccccc1 ZINC001598169545 990690262 /nfs/dbraw/zinc/69/02/62/990690262.db2.gz CFFGHNQJOVJKQT-IBGZPJMESA-N -1 3 395.459 3.276 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1 ZINC001598170030 990695526 /nfs/dbraw/zinc/69/55/26/990695526.db2.gz JBECJGIZFFCJFB-SFHVURJKSA-N -1 3 378.432 3.357 20 0 GGADHM CN(C)C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC001598200485 990813991 /nfs/dbraw/zinc/81/39/91/990813991.db2.gz IRCOJRUXNHXPTH-MRXNPFEDSA-N -1 3 381.904 3.277 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC001598200632 990816510 /nfs/dbraw/zinc/81/65/10/990816510.db2.gz OMRKHVWVXBSUKQ-INIZCTEOSA-N -1 3 381.354 3.227 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccc(F)cc1 ZINC001598200871 990819074 /nfs/dbraw/zinc/81/90/74/990819074.db2.gz TXVOHOPCLFJULC-SFHVURJKSA-N -1 3 396.422 3.497 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC001598253305 991042640 /nfs/dbraw/zinc/04/26/40/991042640.db2.gz KDLOLUYFGVEGPO-FQEVSTJZSA-N -1 3 398.484 3.006 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC001598253306 991042884 /nfs/dbraw/zinc/04/28/84/991042884.db2.gz KDLOLUYFGVEGPO-HXUWFJFHSA-N -1 3 398.484 3.006 20 0 GGADHM COc1ccccc1-c1ccc(CN(C(=O)[C@H](N)CCC(=O)[O-])C(C)C)cc1 ZINC001599692791 991097314 /nfs/dbraw/zinc/09/73/14/991097314.db2.gz UNHQLFQUZNBALA-LJQANCHMSA-N -1 3 384.476 3.291 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001590980406 991131170 /nfs/dbraw/zinc/13/11/70/991131170.db2.gz CQFSMDKJVPOEPD-MRXNPFEDSA-N -1 3 390.509 3.048 20 0 GGADHM COc1ccccc1-c1nc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)co1 ZINC001599695361 991141472 /nfs/dbraw/zinc/14/14/72/991141472.db2.gz QKKVUIPAEPRAOZ-RBUKOAKNSA-N -1 3 394.427 3.356 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001598293784 991212139 /nfs/dbraw/zinc/21/21/39/991212139.db2.gz PLYKRWPESZSBFM-SFHVURJKSA-N -1 3 396.491 3.189 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC001598299686 991240025 /nfs/dbraw/zinc/24/00/25/991240025.db2.gz XOCADBIJBOENHU-UHFFFAOYSA-N -1 3 396.491 3.021 20 0 GGADHM CN(C)c1cc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)ncc1Br ZINC001598307704 991276952 /nfs/dbraw/zinc/27/69/52/991276952.db2.gz GURQPSHBGRSCPJ-UHFFFAOYSA-N -1 3 379.258 3.426 20 0 GGADHM CN(C)c1ncc(CN2CCOc3ccccc3[C@H]2C(=O)[O-])c2ccccc21 ZINC001598353785 991460453 /nfs/dbraw/zinc/46/04/53/991460453.db2.gz LNNOUDZVGOEXKO-FQEVSTJZSA-N -1 3 377.444 3.321 20 0 GGADHM CN(C)c1ncc(CN2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])c2ccccc21 ZINC001598358823 991482133 /nfs/dbraw/zinc/48/21/33/991482133.db2.gz AGHGJBMHZZCXNO-HXUWFJFHSA-N -1 3 377.444 3.018 20 0 GGADHM COc1ccnc(N2CCN([C@@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001599721309 991542628 /nfs/dbraw/zinc/54/26/28/991542628.db2.gz DHWMFMJJUGISHK-QGZVFWFLSA-N -1 3 395.381 3.057 20 0 GGADHM COc1ccnc(N2CCN([C@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001599721308 991542758 /nfs/dbraw/zinc/54/27/58/991542758.db2.gz DHWMFMJJUGISHK-KRWDZBQOSA-N -1 3 395.381 3.057 20 0 GGADHM CN(CC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1)CC(C)(C)C ZINC001598376654 991568026 /nfs/dbraw/zinc/56/80/26/991568026.db2.gz ZUEROBIXNITUAL-ZDUSSCGKSA-N -1 3 391.331 3.073 20 0 GGADHM CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598384890 991599600 /nfs/dbraw/zinc/59/96/00/991599600.db2.gz MILXKRJCSDGJAM-YRNRMSPPSA-N -1 3 384.501 3.017 20 0 GGADHM CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598391819 991635339 /nfs/dbraw/zinc/63/53/39/991635339.db2.gz PWIRIWPZVFZQJS-OTVXOJSOSA-N -1 3 376.840 3.011 20 0 GGADHM CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001598397018 991666421 /nfs/dbraw/zinc/66/64/21/991666421.db2.gz MHIDWZGXUIFWNW-UHFFFAOYSA-N -1 3 386.496 3.293 20 0 GGADHM COc1cnccc1N1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001599728525 991670406 /nfs/dbraw/zinc/67/04/06/991670406.db2.gz XILMAURDZLFKAY-KRWDZBQOSA-N -1 3 395.381 3.057 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001591094360 991671512 /nfs/dbraw/zinc/67/15/12/991671512.db2.gz JLHAFYHRKNIIBG-IEBWSBKVSA-N -1 3 387.524 3.137 20 0 GGADHM CC(C)CC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001591106200 991736755 /nfs/dbraw/zinc/73/67/55/991736755.db2.gz APQGWSKJKPVHQM-QGZVFWFLSA-N -1 3 386.414 3.412 20 0 GGADHM CN(CC(F)F)C1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001598430349 991793378 /nfs/dbraw/zinc/79/33/78/991793378.db2.gz KIGWDUGICOHBNC-HNNXBMFYSA-N -1 3 391.256 3.236 20 0 GGADHM CN(C[C@@H](O)Cc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598436137 991826397 /nfs/dbraw/zinc/82/63/97/991826397.db2.gz CCWYJUWRBJQUHZ-SUMWQHHRSA-N -1 3 387.785 3.418 20 0 GGADHM CN(C[C@@H](O)c1cccc(Br)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598437292 991843359 /nfs/dbraw/zinc/84/33/59/991843359.db2.gz QDDAQUOLDOXSAF-HZPDHXFCSA-N -1 3 382.229 3.379 20 0 GGADHM COc1nsc(CN(C)CCc2ccc(Br)cc2)c1C(=O)[O-] ZINC001599740895 991854468 /nfs/dbraw/zinc/85/44/68/991854468.db2.gz LZQHIWASQHBISV-UHFFFAOYSA-N -1 3 385.283 3.287 20 0 GGADHM COc1nsc(CNC[C@H](C(=O)[O-])C2CCCCC2)c1Br ZINC001599741587 991866955 /nfs/dbraw/zinc/86/69/55/991866955.db2.gz GTJZABYSRYLWPU-JTQLQIEISA-N -1 3 377.304 3.285 20 0 GGADHM CC(C)C[C@@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591178924 991978982 /nfs/dbraw/zinc/97/89/82/991978982.db2.gz YJLAUZCHIBJTDC-DOTOQJQBSA-N -1 3 381.904 3.085 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591211497 992057965 /nfs/dbraw/zinc/05/79/65/992057965.db2.gz GGLLIFRODOSQID-CABCVRRESA-N -1 3 394.537 3.447 20 0 GGADHM CC(C)CC[C@@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591221780 992089487 /nfs/dbraw/zinc/08/94/87/992089487.db2.gz OOHYAODHKNNZDF-FUHWJXTLSA-N -1 3 395.931 3.475 20 0 GGADHM CN(CCCN1C(=O)c2ccccc2C1=O)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001598478650 992114479 /nfs/dbraw/zinc/11/44/79/992114479.db2.gz LXKXEZCNFYJTOA-KRWDZBQOSA-N -1 3 386.835 3.084 20 0 GGADHM CN(CCCOc1ccc2c(c1)OCO2)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598482153 992171441 /nfs/dbraw/zinc/17/14/41/992171441.db2.gz FDGDDYTVUOXJQB-GOSISDBHSA-N -1 3 397.349 3.359 20 0 GGADHM CC(C)CCOc1cccc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC001591265852 992174136 /nfs/dbraw/zinc/17/41/36/992174136.db2.gz BYCFUTHPKPDROF-UHFFFAOYSA-N -1 3 377.485 3.124 20 0 GGADHM CN(CCN(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC001598487653 992229325 /nfs/dbraw/zinc/22/93/25/992229325.db2.gz ZJPBDQHCWXYHLX-UHFFFAOYSA-N -1 3 393.443 3.147 20 0 GGADHM CN(CCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598490732 992287415 /nfs/dbraw/zinc/28/74/15/992287415.db2.gz CWUWLBLXVAUGAA-ZDUSSCGKSA-N -1 3 376.375 3.288 20 0 GGADHM C[S@](=O)[C@H]1CC[C@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001599775122 992292197 /nfs/dbraw/zinc/29/21/97/992292197.db2.gz JWWVOGVFLMUIJO-BATDWUPUSA-N -1 3 387.501 3.353 20 0 GGADHM C[S@@](=O)C[C@@H](NCCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001599775350 992294632 /nfs/dbraw/zinc/29/46/32/992294632.db2.gz MQDOUGFJQDUIDL-PUAOIOHZSA-N -1 3 381.881 3.126 20 0 GGADHM CN(CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)Cc1ccccc1 ZINC001598491460 992298307 /nfs/dbraw/zinc/29/83/07/992298307.db2.gz XVWPGXCHUQTYAU-UHFFFAOYSA-N -1 3 396.491 3.239 20 0 GGADHM CC(C)CN(CCC(=O)[O-])Cc1nnc(-c2ccc(Br)s2)o1 ZINC001591332562 992312115 /nfs/dbraw/zinc/31/21/15/992312115.db2.gz KLHDVYIGLJRDRM-UHFFFAOYSA-N -1 3 388.287 3.493 20 0 GGADHM CN(CCOc1cccc(C(=O)[O-])c1)[C@H](CO)c1cccc(Br)c1 ZINC001598499223 992408789 /nfs/dbraw/zinc/40/87/89/992408789.db2.gz FIRYFKZOJBYZQM-QGZVFWFLSA-N -1 3 394.265 3.192 20 0 GGADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001598503225 992463679 /nfs/dbraw/zinc/46/36/79/992463679.db2.gz HOCLUTFQLGEKMN-IBGZPJMESA-N -1 3 396.491 3.227 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])c2cccnc12)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001598510805 992566624 /nfs/dbraw/zinc/56/66/24/992566624.db2.gz YKIPMEPTTFKGPY-OAHLLOKOSA-N -1 3 385.464 3.374 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])c2cccnc12)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001598510804 992567243 /nfs/dbraw/zinc/56/72/43/992567243.db2.gz YKIPMEPTTFKGPY-HNNXBMFYSA-N -1 3 385.464 3.374 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001591484864 992613141 /nfs/dbraw/zinc/61/31/41/992613141.db2.gz VPEPCYWDPDJZTA-SFHVURJKSA-N -1 3 387.480 3.278 20 0 GGADHM CC(C)Cn1ccc2cc(NC(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)ccc21 ZINC001591521653 992691613 /nfs/dbraw/zinc/69/16/13/992691613.db2.gz OBRZPLDMQJKJNG-UHFFFAOYSA-N -1 3 386.496 3.310 20 0 GGADHM CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C(=O)[O-])cc1Br ZINC001598528518 992746958 /nfs/dbraw/zinc/74/69/58/992746958.db2.gz DAXZOYLEWUMOOA-OAHLLOKOSA-N -1 3 394.265 3.019 20 0 GGADHM CN(Cc1ccnc2c(C(=O)[O-])cccc12)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001598531419 992785800 /nfs/dbraw/zinc/78/58/00/992785800.db2.gz POHGAGLOYGYHKF-HNNXBMFYSA-N -1 3 385.464 3.374 20 0 GGADHM CC(C)N1CC[C@H](NCc2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC001591623735 992900687 /nfs/dbraw/zinc/90/06/87/992900687.db2.gz ZILCDGXRRFLICC-HKUYNNGSSA-N -1 3 375.419 3.372 20 0 GGADHM CC(C)N1CCC[C@H](N[C@](C)(CC(=O)[O-])c2ccc(Br)cc2)C1=O ZINC001591623744 992900814 /nfs/dbraw/zinc/90/08/14/992900814.db2.gz DMWCVYCPFMJKEV-MAUKXSAKSA-N -1 3 397.313 3.128 20 0 GGADHM CC(C)N1CCC[C@@H](N[C@](C)(CC(=O)[O-])c2ccc(Br)cc2)C1=O ZINC001591623741 992900993 /nfs/dbraw/zinc/90/09/93/992900993.db2.gz DMWCVYCPFMJKEV-CRAIPNDOSA-N -1 3 397.313 3.128 20 0 GGADHM CN1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@H]1c1ccccc1 ZINC001598585076 993370305 /nfs/dbraw/zinc/37/03/05/993370305.db2.gz CPCARNQBOCLEOU-WMLDXEAASA-N -1 3 375.375 3.230 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC001598585638 993378153 /nfs/dbraw/zinc/37/81/53/993378153.db2.gz UPZVIQRMOZOIIM-UHFFFAOYSA-N -1 3 380.488 3.440 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001598588128 993413688 /nfs/dbraw/zinc/41/36/88/993413688.db2.gz OCIOQNIPGJCKIQ-UHFFFAOYSA-N -1 3 389.839 3.159 20 0 GGADHM CN(C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)[C@@H]1CCCN(C)C1 ZINC001598596416 993512630 /nfs/dbraw/zinc/51/26/30/993512630.db2.gz MAUXMFWINKVVHV-OAHLLOKOSA-N -1 3 384.436 3.130 20 0 GGADHM CN(C(=O)c1ccc(NCc2cc(C(=O)[O-])cs2)cc1)[C@H]1CCCN(C)C1 ZINC001598596701 993515708 /nfs/dbraw/zinc/51/57/08/993515708.db2.gz RAUIGCXURXFICW-KRWDZBQOSA-N -1 3 387.505 3.225 20 0 GGADHM C[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2)cc1 ZINC001593062665 993580052 /nfs/dbraw/zinc/58/00/52/993580052.db2.gz LAEBNLKSAIFXSG-WMZOPIPTSA-N -1 3 397.475 3.198 20 0 GGADHM CN1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C[C@@H](C(=O)[O-])C1 ZINC001598604767 993628614 /nfs/dbraw/zinc/62/86/14/993628614.db2.gz WLDWDXYGYZBUKF-KRWDZBQOSA-N -1 3 392.927 3.308 20 0 GGADHM COc1ccc(NC(=O)CCN2CCc3c(cccc3C(=O)[O-])C2)cc1Cl ZINC001599589512 993660022 /nfs/dbraw/zinc/66/00/22/993660022.db2.gz JRBDXAIAFZFMCP-UHFFFAOYSA-N -1 3 388.851 3.434 20 0 GGADHM CN1CCN(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598606131 993661722 /nfs/dbraw/zinc/66/17/22/993661722.db2.gz GTTILTNHTHFXDE-GBESFXJTSA-N -1 3 387.524 3.007 20 0 GGADHM COc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(OC)c1 ZINC001599593002 993711457 /nfs/dbraw/zinc/71/14/57/993711457.db2.gz XSDFEJYJSNHYTD-IBGZPJMESA-N -1 3 386.448 3.084 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H](c1ccccc1)N(C)C ZINC001593108559 993764810 /nfs/dbraw/zinc/76/48/10/993764810.db2.gz FDWINXZFNPGFKH-PIGZYNQJSA-N -1 3 377.391 3.476 20 0 GGADHM C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@H](c1ccccc1)N(C)C ZINC001593113305 993790423 /nfs/dbraw/zinc/79/04/23/993790423.db2.gz UVMPYDMUDUGIQL-APPDUMDISA-N -1 3 377.391 3.476 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)[C@@H](c1ccccc1)N(C)C ZINC001593114832 993794439 /nfs/dbraw/zinc/79/44/39/993794439.db2.gz CWDLUOXXUCWBJB-XIKOKIGWSA-N -1 3 381.436 3.074 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC001593114900 993795612 /nfs/dbraw/zinc/79/56/12/993795612.db2.gz FQCWTDSFDGVGRW-FOIQADDNSA-N -1 3 385.464 3.353 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1=CCN(C)CC1 ZINC001593116083 993804477 /nfs/dbraw/zinc/80/44/77/993804477.db2.gz VKHHGANQIUQRTD-CQSZACIVSA-N -1 3 383.448 3.075 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)C1=CCN(C)CC1 ZINC001593116218 993806915 /nfs/dbraw/zinc/80/69/15/993806915.db2.gz YXVUNIBXEZWHML-AWEZNQCLSA-N -1 3 396.447 3.344 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001593131184 993879054 /nfs/dbraw/zinc/87/90/54/993879054.db2.gz LRMNRFOJZNHJOJ-HOTGVXAUSA-N -1 3 392.496 3.275 20 0 GGADHM CN1CCN(CCC(C)(C)NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001598616837 993899335 /nfs/dbraw/zinc/89/93/35/993899335.db2.gz NWWNAXFGCHJYCF-UHFFFAOYSA-N -1 3 398.507 3.076 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618513 993944318 /nfs/dbraw/zinc/94/43/18/993944318.db2.gz JRDALBUHQNOMPV-ZDKIGPTLSA-N -1 3 380.488 3.022 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598618514 993944516 /nfs/dbraw/zinc/94/45/16/993944516.db2.gz JRDALBUHQNOMPV-ZRFOIIEFSA-N -1 3 380.488 3.022 20 0 GGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194459 994135192 /nfs/dbraw/zinc/13/51/92/994135192.db2.gz HNMQGQGVSGDCRS-AUUYWEPGSA-N -1 3 376.416 3.205 20 0 GGADHM C[C@H](NC(C)(C)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001593198503 994173340 /nfs/dbraw/zinc/17/33/40/994173340.db2.gz RUBUGRMDZMZLJF-INIZCTEOSA-N -1 3 396.553 3.070 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC001593199432 994178778 /nfs/dbraw/zinc/17/87/78/994178778.db2.gz XRHANUCXQLDBCH-KSPMYQCISA-N -1 3 376.497 3.130 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc2ncsc2c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593199695 994180149 /nfs/dbraw/zinc/18/01/49/994180149.db2.gz YPPUVDNLJDNRKJ-STQMWFEESA-N -1 3 383.473 3.350 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599629953 994202612 /nfs/dbraw/zinc/20/26/12/994202612.db2.gz ILOGMUQNUFVZGN-UGSOOPFHSA-N -1 3 384.432 3.224 20 0 GGADHM COc1ccc2ccccc2c1CNC[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599635587 994282605 /nfs/dbraw/zinc/28/26/05/994282605.db2.gz OEPXOQGDBNBJPS-QGZVFWFLSA-N -1 3 381.428 3.076 20 0 GGADHM C[C@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1cccc(SC(F)(F)F)c1 ZINC001593222033 994330442 /nfs/dbraw/zinc/33/04/42/994330442.db2.gz FZDWCJPMWWWASE-SMDDNHRTSA-N -1 3 390.427 3.415 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1cccc(SC(F)(F)F)c1 ZINC001593222030 994330507 /nfs/dbraw/zinc/33/05/07/994330507.db2.gz FZDWCJPMWWWASE-BXUZGUMPSA-N -1 3 390.427 3.415 20 0 GGADHM C[C@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1OCC(=O)[O-] ZINC001593222215 994332285 /nfs/dbraw/zinc/33/22/85/994332285.db2.gz ILDNKAGTQRZXPX-WMZOPIPTSA-N -1 3 382.460 3.105 20 0 GGADHM COc1cccc(C(=O)NCCN[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC001599642583 994380269 /nfs/dbraw/zinc/38/02/69/994380269.db2.gz VJGUNLMTWUOFHO-INIZCTEOSA-N -1 3 397.258 3.147 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001599648935 994466666 /nfs/dbraw/zinc/46/66/66/994466666.db2.gz AVACPFUZINJGTK-CVEARBPZSA-N -1 3 378.469 3.056 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC001599649914 994481461 /nfs/dbraw/zinc/48/14/61/994481461.db2.gz IVBSGLNNRLFSRV-OAQYLSRUSA-N -1 3 377.444 3.191 20 0 GGADHM C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593250774 994487965 /nfs/dbraw/zinc/48/79/65/994487965.db2.gz WPAXUFSGXJFHKU-XGINMYPSSA-N -1 3 378.469 3.405 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650782 994495147 /nfs/dbraw/zinc/49/51/47/994495147.db2.gz OAAXGUZWENQIFK-DOTOQJQBSA-N -1 3 378.469 3.152 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(=O)oc3cc(OC)ccc23)c1 ZINC001599651206 994502614 /nfs/dbraw/zinc/50/26/14/994502614.db2.gz UUYLQJAKBBMHAX-HXUWFJFHSA-N -1 3 383.400 3.068 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])NCC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC001599652450 994526341 /nfs/dbraw/zinc/52/63/41/994526341.db2.gz LKPNPPABYFHTJN-OPAMFIHVSA-N -1 3 384.476 3.194 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])NC[C@H]2CN(C3CCCCC3)C(=O)O2)c1 ZINC001599652856 994532126 /nfs/dbraw/zinc/53/21/26/994532126.db2.gz OPZZOHVILAQVSV-GHTZIAJQSA-N -1 3 390.480 3.128 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NC[C@H]2CN(C3CCCCC3)C(=O)O2)c1 ZINC001599652860 994532294 /nfs/dbraw/zinc/53/22/94/994532294.db2.gz OPZZOHVILAQVSV-RXVVDRJESA-N -1 3 390.480 3.128 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC001599653865 994546799 /nfs/dbraw/zinc/54/67/99/994546799.db2.gz ZYUVZQNHJQTLKX-REWPJTCUSA-N -1 3 396.487 3.166 20 0 GGADHM CNC(=O)c1ccc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1 ZINC001598658377 994558922 /nfs/dbraw/zinc/55/89/22/994558922.db2.gz WJDJUTCUJCTOCP-SFHVURJKSA-N -1 3 381.259 3.443 20 0 GGADHM C[C@](NCc1cc2c(c(Br)c1)OCO2)(C(=O)[O-])c1ccccc1 ZINC001593288360 994655042 /nfs/dbraw/zinc/65/50/42/994655042.db2.gz HMBFOKQVQZJRDF-QGZVFWFLSA-N -1 3 378.222 3.267 20 0 GGADHM C[C@@](NCc1cc2c(c(Br)c1)OCO2)(C(=O)[O-])c1ccccc1 ZINC001593288359 994655272 /nfs/dbraw/zinc/65/52/72/994655272.db2.gz HMBFOKQVQZJRDF-KRWDZBQOSA-N -1 3 378.222 3.267 20 0 GGADHM C[C@@](NCc1cc2c(c(Br)c1)OCO2)(C(=O)[O-])c1ccc(F)cc1 ZINC001593289754 994666303 /nfs/dbraw/zinc/66/63/03/994666303.db2.gz WYZSNLMUKDMCDF-KRWDZBQOSA-N -1 3 396.212 3.407 20 0 GGADHM C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cc2ccccc2[nH]1 ZINC001593297417 994702210 /nfs/dbraw/zinc/70/22/10/994702210.db2.gz UXSBCXJEEHWPKY-AWEZNQCLSA-N -1 3 386.473 3.018 20 0 GGADHM C[C@](NCc1ccc(C(=O)OCc2ccccc2)[nH]1)(C(=O)[O-])c1ccccc1 ZINC001593297455 994703642 /nfs/dbraw/zinc/70/36/42/994703642.db2.gz VMXLTFFTECLWFI-JOCHJYFZSA-N -1 3 378.428 3.461 20 0 GGADHM C[C@H](NCc1ccc(OCc2nccn2C)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593297904 994708071 /nfs/dbraw/zinc/70/80/71/994708071.db2.gz BXOSDJIEPYSTMW-INIZCTEOSA-N -1 3 395.459 3.313 20 0 GGADHM C[C@](NCc1ccc(I)s1)(C(=O)[O-])c1ccccc1 ZINC001593297871 994708237 /nfs/dbraw/zinc/70/82/37/994708237.db2.gz BIRNLOLGCVCZKQ-CQSZACIVSA-N -1 3 387.242 3.442 20 0 GGADHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001598676227 994848600 /nfs/dbraw/zinc/84/86/00/994848600.db2.gz BDHIQCQAEWQFRQ-ZIAGYGMSSA-N -1 3 376.478 3.013 20 0 GGADHM COc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC001599679546 994956898 /nfs/dbraw/zinc/95/68/98/994956898.db2.gz YRGCVHXMAWPHNE-CYBMUJFWSA-N -1 3 383.448 3.173 20 0 GGADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001598689989 995049222 /nfs/dbraw/zinc/04/92/22/995049222.db2.gz UIKICLQVVLAYQS-IRXDYDNUSA-N -1 3 385.460 3.350 20 0 GGADHM C[C@@](O)(CNCc1oc(Br)cc1C(=O)[O-])c1ccccc1Cl ZINC001593411279 995186297 /nfs/dbraw/zinc/18/62/97/995186297.db2.gz MHYIKSOTZJESOY-OAHLLOKOSA-N -1 3 388.645 3.391 20 0 GGADHM COC(=O)[C@@H](N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC001598707305 995303678 /nfs/dbraw/zinc/30/36/78/995303678.db2.gz DGTAYXUNYKQYHH-UXHICEINSA-N -1 3 382.460 3.026 20 0 GGADHM C[C@@H](OCCCNC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608552 995797280 /nfs/dbraw/zinc/79/72/80/995797280.db2.gz KBVULKFWDCEMQL-IEBWSBKVSA-N -1 3 390.524 3.093 20 0 GGADHM C[C@@H](OCCCNC(=O)CN[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1 ZINC001593608775 995798983 /nfs/dbraw/zinc/79/89/83/995798983.db2.gz RWVISAVLBLACFQ-VGOFRKELSA-N -1 3 390.524 3.284 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC001593615318 995831882 /nfs/dbraw/zinc/83/18/82/995831882.db2.gz HEHFAHMJEVEBPX-RVKKMQEKSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615388 995832606 /nfs/dbraw/zinc/83/26/06/995832606.db2.gz JBYRENDJCRBYIB-RVKKMQEKSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@H](Oc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1)C(=O)[O-] ZINC001593618492 995859086 /nfs/dbraw/zinc/85/90/86/995859086.db2.gz YNQMVZOTRDHZTC-LAUBAEHRSA-N -1 3 399.487 3.159 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644547 995962391 /nfs/dbraw/zinc/96/23/91/995962391.db2.gz LSQZVEJGLUQWKQ-BTYIYWSLSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(O)(Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC001593644490 995962566 /nfs/dbraw/zinc/96/25/66/995962566.db2.gz KZGDJQBGPFYTRB-MRXNPFEDSA-N -1 3 387.451 3.247 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644550 995963728 /nfs/dbraw/zinc/96/37/28/995963728.db2.gz LSQZVEJGLUQWKQ-YCRPNKLZSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@H](Oc1ccccc1CNCC12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001593644628 995964771 /nfs/dbraw/zinc/96/47/71/995964771.db2.gz AXBPXXHAUPEHKZ-VEBLATHCSA-N -1 3 390.480 3.028 20 0 GGADHM C[C@@H](Oc1ccccc1CN[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001593644796 995966127 /nfs/dbraw/zinc/96/61/27/995966127.db2.gz DDXFODOMNXXVSA-PBHICJAKSA-N -1 3 392.496 3.274 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644814 995966737 /nfs/dbraw/zinc/96/67/37/995966737.db2.gz NBNDSQNXNBIKPJ-HZPDHXFCSA-N -1 3 392.496 3.227 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@@H]1CCN(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC001593644884 995966974 /nfs/dbraw/zinc/96/69/74/995966974.db2.gz DTGHLTNHKZGPRP-XJKSGUPXSA-N -1 3 376.403 3.185 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645472 995974411 /nfs/dbraw/zinc/97/44/11/995974411.db2.gz KEYAYONUOYDSTI-ZOBUZTSGSA-N -1 3 392.496 3.416 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645468 995974711 /nfs/dbraw/zinc/97/47/11/995974711.db2.gz KEYAYONUOYDSTI-HLLBOEOZSA-N -1 3 392.496 3.416 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(OC[C@H]2CCCCO2)CC1)C(=O)[O-] ZINC001593646281 995982182 /nfs/dbraw/zinc/98/21/82/995982182.db2.gz WHQISLFBIARKKN-QFBILLFUSA-N -1 3 377.481 3.089 20 0 GGADHM CC(C)[C@H](CNCc1ccccc1O[C@H](C)C(=O)[O-])NC(=O)OC(C)(C)C ZINC001593646439 995985754 /nfs/dbraw/zinc/98/57/54/995985754.db2.gz RMHLSBKZIOISPK-ZBFHGGJFSA-N -1 3 380.485 3.177 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646685 995988437 /nfs/dbraw/zinc/98/84/37/995988437.db2.gz ZXZHDDFYWQGFJB-YQQAZPJKSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@@H](Oc1ccccc1CNCCOc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001593647800 995992611 /nfs/dbraw/zinc/99/26/11/995992611.db2.gz BCXZRXDUEVTERY-GFCCVEGCSA-N -1 3 384.354 3.121 20 0 GGADHM C[C@H](Oc1ccccc1CNCc1cc(N(C)C)nc2ccccc12)C(=O)[O-] ZINC001593647836 995994007 /nfs/dbraw/zinc/99/40/07/995994007.db2.gz CAHIVQNRCXOPAY-HNNXBMFYSA-N -1 3 379.460 3.443 20 0 GGADHM COC(=O)[C@H]1CCC[C@@H]1NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598790592 996068984 /nfs/dbraw/zinc/06/89/84/996068984.db2.gz LJJHNJVXFHPUJV-OALUTQOASA-N -1 3 383.444 3.395 20 0 GGADHM COC(=O)[C@H]1CCN(CCSc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC001598798286 996122785 /nfs/dbraw/zinc/12/27/85/996122785.db2.gz DRRDSYBRMVBMIR-GWCFXTLKSA-N -1 3 392.304 3.424 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(-c3cccs3)c2)[C@H](C(=O)[O-])C1 ZINC001598802482 996151568 /nfs/dbraw/zinc/15/15/68/996151568.db2.gz GVGSVYQTLUXBHH-CJNGLKHVSA-N -1 3 377.437 3.392 20 0 GGADHM C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccsc1C(=O)[O-] ZINC001593697303 996154976 /nfs/dbraw/zinc/15/49/76/996154976.db2.gz IHBRZDJTFOQNTL-ZDUSSCGKSA-N -1 3 394.518 3.179 20 0 GGADHM C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC001593697839 996158449 /nfs/dbraw/zinc/15/84/49/996158449.db2.gz QSOWXUPSTMCBGH-ZDUSSCGKSA-N -1 3 394.518 3.179 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC001598803693 996164229 /nfs/dbraw/zinc/16/42/29/996164229.db2.gz NUSAULLVRDCZCN-SJLPKXTDSA-N -1 3 384.432 3.021 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(C(=O)[O-])cc1Br ZINC001593704729 996185234 /nfs/dbraw/zinc/18/52/34/996185234.db2.gz ALKGVTFUMPBSMM-YVEFUNNKSA-N -1 3 378.266 3.402 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711062 996211588 /nfs/dbraw/zinc/21/15/88/996211588.db2.gz PLVUIYFTUBEVTC-CRAIPNDOSA-N -1 3 383.448 3.107 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711069 996211787 /nfs/dbraw/zinc/21/17/87/996211787.db2.gz PLVUIYFTUBEVTC-QAPCUYQASA-N -1 3 383.448 3.107 20 0 GGADHM COC(=O)CCC1CCN(Cc2cc(Br)ccc2C(=O)[O-])CC1 ZINC001598850834 996602284 /nfs/dbraw/zinc/60/22/84/996602284.db2.gz OMJGPDNVNKRRMX-UHFFFAOYSA-N -1 3 384.270 3.313 20 0 GGADHM COC(=O)CCC1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001598851173 996604856 /nfs/dbraw/zinc/60/48/56/996604856.db2.gz WCABRKYRXKGVKG-MRXNPFEDSA-N -1 3 384.270 3.240 20 0 GGADHM COC(=O)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598873892 996751961 /nfs/dbraw/zinc/75/19/61/996751961.db2.gz SZGULMLARHCDKQ-KRWDZBQOSA-N -1 3 381.350 3.336 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC001599380134 996823530 /nfs/dbraw/zinc/82/35/30/996823530.db2.gz XKWTVBZTFHQGRT-BBRMVZONSA-N -1 3 385.416 3.230 20 0 GGADHM COc1ccc(C(=O)[O-])c(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC001599490522 996930395 /nfs/dbraw/zinc/93/03/95/996930395.db2.gz WVLNJXQKVAMABP-UHFFFAOYSA-N -1 3 389.427 3.128 20 0 GGADHM COCc1cc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc(C(=O)[O-])c1 ZINC001599285341 996967046 /nfs/dbraw/zinc/96/70/46/996967046.db2.gz FPXZMPWAFAGVES-UHFFFAOYSA-N -1 3 377.485 3.117 20 0 GGADHM COCc1cc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599285487 996969440 /nfs/dbraw/zinc/96/94/40/996969440.db2.gz HFHLRMIOOHDRHT-YWZLYKJASA-N -1 3 397.475 3.316 20 0 GGADHM COCc1cc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001599287185 997000726 /nfs/dbraw/zinc/00/07/26/997000726.db2.gz HLCDNPYGROOQDR-OALUTQOASA-N -1 3 383.448 3.098 20 0 GGADHM COCc1cc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599287408 997003729 /nfs/dbraw/zinc/00/37/29/997003729.db2.gz MWSPCAYETZHTCN-BEFAXECRSA-N -1 3 397.475 3.488 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001599498730 997070087 /nfs/dbraw/zinc/07/00/87/997070087.db2.gz GMUUISLZYUDQGG-HIFRSBDPSA-N -1 3 378.469 3.129 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001599500635 997112077 /nfs/dbraw/zinc/11/20/77/997112077.db2.gz VWACLLAQTNVHOT-INIZCTEOSA-N -1 3 384.480 3.091 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001599500963 997119164 /nfs/dbraw/zinc/11/91/64/997119164.db2.gz NEGDDNARMWTVQU-MRXNPFEDSA-N -1 3 378.469 3.271 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)CC1 ZINC001593969022 997126145 /nfs/dbraw/zinc/12/61/45/997126145.db2.gz SMMJEMPVGOJFHE-UHFFFAOYSA-N -1 3 379.570 3.374 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001599501371 997128334 /nfs/dbraw/zinc/12/83/34/997128334.db2.gz UEDMTYDCSIWGMN-FQEVSTJZSA-N -1 3 378.469 3.176 20 0 GGADHM COC(=O)[C@@H]1CN([C@@H](C)c2ccc(C(=O)[O-])o2)C[C@H]1c1ccc(F)cc1F ZINC001598898741 997130968 /nfs/dbraw/zinc/13/09/68/997130968.db2.gz XSRUANPOVITYNI-LEWSCRJBSA-N -1 3 379.359 3.206 20 0 GGADHM COC(=O)[C@@H]1CN([C@H](C)c2ccc(C(=O)[O-])o2)C[C@H]1c1ccc(F)cc1F ZINC001598898739 997131254 /nfs/dbraw/zinc/13/12/54/997131254.db2.gz XSRUANPOVITYNI-DDTOSNHZSA-N -1 3 379.359 3.206 20 0 GGADHM COC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@H]1c1ccc(O)cc1 ZINC001598898863 997134754 /nfs/dbraw/zinc/13/47/54/997134754.db2.gz MUKIYEYSDGUQMX-DLBZAZTESA-N -1 3 389.835 3.132 20 0 GGADHM CC1([C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(Br)c3)C2)OCCO1 ZINC001593992497 997271747 /nfs/dbraw/zinc/27/17/47/997271747.db2.gz LAHLSKFTGAAZCU-CYBMUJFWSA-N -1 3 384.270 3.122 20 0 GGADHM C[C@]1([C@@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)COC(=O)N1 ZINC001593992679 997275422 /nfs/dbraw/zinc/27/54/22/997275422.db2.gz NAPORLUBFGUKHH-LGFNAOKASA-N -1 3 387.263 3.330 20 0 GGADHM CC1([C@@H]2CCCN(Cc3cc(Br)ccc3C(=O)[O-])C2)OCCO1 ZINC001593993139 997280038 /nfs/dbraw/zinc/28/00/38/997280038.db2.gz SLDWGPVWEBHIHD-CYBMUJFWSA-N -1 3 384.270 3.122 20 0 GGADHM C[C@@]1(C2CCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)COC(=O)N1 ZINC001593994251 997292432 /nfs/dbraw/zinc/29/24/32/997292432.db2.gz ONYFLLOGDYALBA-PBHICJAKSA-N -1 3 386.370 3.042 20 0 GGADHM COc1ccc([C@H](C)NCC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)cc1 ZINC001599511519 997307339 /nfs/dbraw/zinc/30/73/39/997307339.db2.gz VDQBBFKQGHEZEN-XOBRGWDASA-N -1 3 395.459 3.081 20 0 GGADHM COc1cc(CN2CC([C@H]3CCOC3)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407358 997345260 /nfs/dbraw/zinc/34/52/60/997345260.db2.gz QFDJISOPDPLSKV-HNNXBMFYSA-N -1 3 387.432 3.034 20 0 GGADHM COc1cc(CN2CCN(C)[C@@H](C)[C@H]2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407703 997356971 /nfs/dbraw/zinc/35/69/71/997356971.db2.gz QFJACUWCBADINX-LSDHHAIUSA-N -1 3 388.464 3.090 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC001599514970 997368534 /nfs/dbraw/zinc/36/85/34/997368534.db2.gz BFWVOQUBUTWUHW-AUUYWEPGSA-N -1 3 385.464 3.308 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001599517295 997414064 /nfs/dbraw/zinc/41/40/64/997414064.db2.gz UKBHMEHWDAUYOU-HNNXBMFYSA-N -1 3 377.466 3.188 20 0 GGADHM COc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)ccc1OCc1ccncc1 ZINC001599415733 997505118 /nfs/dbraw/zinc/50/51/18/997505118.db2.gz QQXQENVWZKNKNC-UHFFFAOYSA-N -1 3 395.459 3.304 20 0 GGADHM COc1ccc([C@@H](N[C@H](C)CC(=O)Nc2cccc(C)c2)C(=O)[O-])c(OC)c1 ZINC001599526820 997573860 /nfs/dbraw/zinc/57/38/60/997573860.db2.gz FCCAWBKLWDJWGK-JLTOFOAXSA-N -1 3 386.448 3.145 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC001599527871 997593617 /nfs/dbraw/zinc/59/36/17/997593617.db2.gz KZHXVPAQQWKYKU-PZJWPPBQSA-N -1 3 384.476 3.457 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC001599527872 997594182 /nfs/dbraw/zinc/59/41/82/997594182.db2.gz KZHXVPAQQWKYKU-TZIWHRDSSA-N -1 3 384.476 3.457 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599527888 997595304 /nfs/dbraw/zinc/59/53/04/997595304.db2.gz LOGZTEGJWYYKDG-TZIWHRDSSA-N -1 3 384.476 3.375 20 0 GGADHM COc1ccc([C@H](N[C@H](C)CC(=O)Nc2ccc(C)cc2C)C(=O)[O-])cc1O ZINC001599529188 997618100 /nfs/dbraw/zinc/61/81/00/997618100.db2.gz VLDNOULWHDLUQL-VLIAUNLRSA-N -1 3 386.448 3.150 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001599529454 997623849 /nfs/dbraw/zinc/62/38/49/997623849.db2.gz ZDQKKWVIJKPRDA-WMZOPIPTSA-N -1 3 376.497 3.084 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001599529450 997623862 /nfs/dbraw/zinc/62/38/62/997623862.db2.gz ZDQKKWVIJKPRDA-SJLPKXTDSA-N -1 3 376.497 3.084 20 0 GGADHM COc1ccc([C@H](NCCC(=O)Nc2cccc3ccccc32)C(=O)[O-])cc1O ZINC001599529816 997629626 /nfs/dbraw/zinc/62/96/26/997629626.db2.gz UAYMZJTWYGKDRA-NRFANRHFSA-N -1 3 394.427 3.298 20 0 GGADHM COc1ccc([C@@H](NCc2cc(C)cc(Br)c2)C(=O)[O-])cc1O ZINC001599530310 997637141 /nfs/dbraw/zinc/63/71/41/997637141.db2.gz BGCYXMBOMVZUMN-MRXNPFEDSA-N -1 3 380.238 3.387 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(-n3cncn3)c(C)c2)C(=O)[O-])cc1Cl ZINC001599531324 997658630 /nfs/dbraw/zinc/65/86/30/997658630.db2.gz JZJFOCZGPHBFIN-GOSISDBHSA-N -1 3 386.839 3.153 20 0 GGADHM COc1ccc([C@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])cc1 ZINC001599531699 997666140 /nfs/dbraw/zinc/66/61/40/997666140.db2.gz LILZVZXWEVKBPL-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM COC(=O)c1cc(CN(CCO)[C@H]2CCCc3ccccc32)cc(C(=O)[O-])c1 ZINC001598930124 997732203 /nfs/dbraw/zinc/73/22/03/997732203.db2.gz WOGIFJSEFNDYIF-FQEVSTJZSA-N -1 3 383.444 3.043 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C)c2cccc(-n3cccn3)c2)cc(C(=O)[O-])c1 ZINC001598931515 997766347 /nfs/dbraw/zinc/76/63/47/997766347.db2.gz CSCLTZIMCXORAO-AWEZNQCLSA-N -1 3 379.416 3.208 20 0 GGADHM COC(=O)c1cc(CN[C@H](C)c2cccc(-n3cccn3)c2)cc(C(=O)[O-])c1 ZINC001598931517 997766654 /nfs/dbraw/zinc/76/66/54/997766654.db2.gz CSCLTZIMCXORAO-CQSZACIVSA-N -1 3 379.416 3.208 20 0 GGADHM COCCCOC1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001599227323 997782813 /nfs/dbraw/zinc/78/28/13/997782813.db2.gz UJUJYJTXYPSYFM-MRXNPFEDSA-N -1 3 375.387 3.349 20 0 GGADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)ccc1C ZINC001598932647 997797054 /nfs/dbraw/zinc/79/70/54/997797054.db2.gz RQVLHDNUJCPPSB-KRWDZBQOSA-N -1 3 377.824 3.359 20 0 GGADHM C[C@]1(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC001594056553 997801116 /nfs/dbraw/zinc/80/11/16/997801116.db2.gz CRDSTHQTVYDXKD-QFIPXVFZSA-N -1 3 397.475 3.326 20 0 GGADHM COc1c(C)cnc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1C ZINC001599334105 997802149 /nfs/dbraw/zinc/80/21/49/997802149.db2.gz QHPRMHBLVBXPKB-JKSUJKDBSA-N -1 3 376.403 3.285 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN(C)C(C)(C)CC(=O)[O-])cc1 ZINC001599539294 997805147 /nfs/dbraw/zinc/80/51/47/997805147.db2.gz RNWHLDAVNXCDKO-GOSISDBHSA-N -1 3 376.497 3.324 20 0 GGADHM C[C@@]1(NCc2ccc(C(=O)[O-])cc2F)CCN(C(=O)OCc2ccccc2)C1 ZINC001594059940 997825661 /nfs/dbraw/zinc/82/56/61/997825661.db2.gz HFAHBQJWYFURII-OAQYLSRUSA-N -1 3 386.423 3.415 20 0 GGADHM C[C@]1(NCc2ccc(C(=O)[O-])cc2F)CCN(C(=O)OCc2ccccc2)C1 ZINC001594059939 997825860 /nfs/dbraw/zinc/82/58/60/997825860.db2.gz HFAHBQJWYFURII-NRFANRHFSA-N -1 3 386.423 3.415 20 0 GGADHM COc1c(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599338040 997872331 /nfs/dbraw/zinc/87/23/31/997872331.db2.gz FZPYQZCYRJMUKH-MRXNPFEDSA-N -1 3 383.448 3.132 20 0 GGADHM COc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599439122 997902606 /nfs/dbraw/zinc/90/26/06/997902606.db2.gz ZVGLBIXXFCCJFS-KRWDZBQOSA-N -1 3 383.448 3.180 20 0 GGADHM COc1c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1C(=O)[O-] ZINC001599340699 997917592 /nfs/dbraw/zinc/91/75/92/997917592.db2.gz MMKYZEPJYUZCKW-RHSMWYFYSA-N -1 3 383.448 3.178 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](CC(C)C)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598938937 997925905 /nfs/dbraw/zinc/92/59/05/997925905.db2.gz HCHRKOCOWKUKEZ-IBGZPJMESA-N -1 3 398.459 3.487 20 0 GGADHM COC(=O)c1cc(NC(=O)CNC2(c3ccc(C)cc3)CCC2)cc(C(=O)[O-])c1 ZINC001598939512 997937038 /nfs/dbraw/zinc/93/70/38/997937038.db2.gz QLAWUWYKAGRYSE-UHFFFAOYSA-N -1 3 396.443 3.087 20 0 GGADHM COCCN(Cc1ccc2c(c1)OCO2)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001599238336 997988412 /nfs/dbraw/zinc/98/84/12/997988412.db2.gz URYQVDLJUIIQTF-UHFFFAOYSA-N -1 3 394.427 3.310 20 0 GGADHM COc1ccc(C[C@@](C)(CO)NCc2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC001599551016 998006486 /nfs/dbraw/zinc/00/64/86/998006486.db2.gz UGSFYWADSPORIS-FQEVSTJZSA-N -1 3 393.867 3.139 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450573 998088700 /nfs/dbraw/zinc/08/87/00/998088700.db2.gz HNQATMHVLKCHON-NRFANRHFSA-N -1 3 398.503 3.426 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3cc(C)ccn3)CC2)c1 ZINC001599451158 998102476 /nfs/dbraw/zinc/10/24/76/998102476.db2.gz VTAQXMROYBCWIC-HXUWFJFHSA-N -1 3 386.448 3.076 20 0 GGADHM COc1ccc(CN(CCO)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])cc1 ZINC001599558661 998143757 /nfs/dbraw/zinc/14/37/57/998143757.db2.gz LQPXNRCLXQZVHI-UHFFFAOYSA-N -1 3 386.423 3.019 20 0 GGADHM COc1ccc(CN(CCc2ccccn2)Cc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001599559007 998152256 /nfs/dbraw/zinc/15/22/56/998152256.db2.gz UXQJCXLIZSAANR-UHFFFAOYSA-N -1 3 379.460 3.372 20 0 GGADHM COc1cc(OC)cc(N2CC[C@@H](N[C@H](C(=O)[O-])c3ccccc3Cl)C2)c1 ZINC001599455337 998177918 /nfs/dbraw/zinc/17/79/18/998177918.db2.gz XUXFCVNJJKJNQO-YJYMSZOUSA-N -1 3 390.867 3.351 20 0 GGADHM COc1cc(OC)cc(N2CC[C@H](N[C@@H](C(=O)[O-])c3ccccc3Cl)C2)c1 ZINC001599455336 998177827 /nfs/dbraw/zinc/17/78/27/998177827.db2.gz XUXFCVNJJKJNQO-ORAYPTAESA-N -1 3 390.867 3.351 20 0 GGADHM COc1ccc(CN2CCCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001599561031 998194790 /nfs/dbraw/zinc/19/47/90/998194790.db2.gz BGKOCWUNMDRFMZ-SFHVURJKSA-N -1 3 398.503 3.255 20 0 GGADHM COc1cc(C(=O)[O-])cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1OC ZINC001599357714 998207532 /nfs/dbraw/zinc/20/75/32/998207532.db2.gz BIXATCHMOXEPBY-WDEREUQCSA-N -1 3 391.342 3.088 20 0 GGADHM COC(=O)c1ccc(Br)c(CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001598956595 998252747 /nfs/dbraw/zinc/25/27/47/998252747.db2.gz QQCOCWRRGLGBGY-PBHICJAKSA-N -1 3 382.254 3.065 20 0 GGADHM COC(=O)c1ccc(-c2nc(CN3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)cs2)cc1 ZINC001598957100 998263680 /nfs/dbraw/zinc/26/36/80/998263680.db2.gz WPMVJALHWYLNFJ-YWZLYKJASA-N -1 3 386.473 3.283 20 0 GGADHM COc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599564807 998265895 /nfs/dbraw/zinc/26/58/95/998265895.db2.gz ULTMNBMDSRSCRY-FQEVSTJZSA-N -1 3 377.444 3.124 20 0 GGADHM COC(=O)c1cc2cc(CN[C@H](C(=O)[O-])c3ccc4c(c3)CCO4)ccc2o1 ZINC001598957310 998267854 /nfs/dbraw/zinc/26/78/54/998267854.db2.gz BAGHYCQJJRZFQR-IBGZPJMESA-N -1 3 381.384 3.070 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC001598960680 998322671 /nfs/dbraw/zinc/32/26/71/998322671.db2.gz KPWBCSRCKXCVBV-HIFRSBDPSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC[C@@H](C(C)(C)C)C2)c1 ZINC001598960681 998322762 /nfs/dbraw/zinc/32/27/62/998322762.db2.gz KPWBCSRCKXCVBV-UKRRQHHQSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)s2)c1 ZINC001598961738 998344336 /nfs/dbraw/zinc/34/43/36/998344336.db2.gz WRMVQWIOJCFCFK-RYUDHWBXSA-N -1 3 390.461 3.219 20 0 GGADHM COCCOc1cccc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC001599260955 998384695 /nfs/dbraw/zinc/38/46/95/998384695.db2.gz NTFZFEWETMFGMZ-UHFFFAOYSA-N -1 3 384.476 3.487 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C)C1 ZINC001598965037 998400917 /nfs/dbraw/zinc/40/09/17/998400917.db2.gz GSCLBGOEGLSPRX-UKRRQHHQSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)s1 ZINC001598965126 998402419 /nfs/dbraw/zinc/40/24/19/998402419.db2.gz IJYMDWWBHRCCEU-RYUDHWBXSA-N -1 3 390.461 3.219 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCCC(C)(C)CC1 ZINC001598965676 998414542 /nfs/dbraw/zinc/41/45/42/998414542.db2.gz QYNHELIBIPDNMK-CYBMUJFWSA-N -1 3 376.453 3.011 20 0 GGADHM COC(=O)c1ccc([C@H](C)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)o1 ZINC001598970035 998497160 /nfs/dbraw/zinc/49/71/60/998497160.db2.gz URSXZLBXGPEVOL-LEWSCRJBSA-N -1 3 379.359 3.206 20 0 GGADHM COC(=O)c1ccc(CN(C)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])cc1 ZINC001598971389 998521659 /nfs/dbraw/zinc/52/16/59/998521659.db2.gz DEUOTLWVIVWSET-UHFFFAOYSA-N -1 3 384.407 3.434 20 0 GGADHM COC(=O)c1ccc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1C ZINC001598971617 998525381 /nfs/dbraw/zinc/52/53/81/998525381.db2.gz DBJNAVVMOPQTBT-KRWDZBQOSA-N -1 3 385.247 3.208 20 0 GGADHM COC(=O)c1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1C ZINC001598971619 998526106 /nfs/dbraw/zinc/52/61/06/998526106.db2.gz DBJNAVVMOPQTBT-QGZVFWFLSA-N -1 3 385.247 3.208 20 0 GGADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1Br ZINC001598971606 998526244 /nfs/dbraw/zinc/52/62/44/998526244.db2.gz CZSGWVZANJRKNA-CYBMUJFWSA-N -1 3 384.251 3.213 20 0 GGADHM C[C@H]1[C@@H](C(=O)[O-])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001594162975 998610348 /nfs/dbraw/zinc/61/03/48/998610348.db2.gz WINCOLFENORJRI-RXVVDRJESA-N -1 3 380.488 3.053 20 0 GGADHM C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001594176592 998679636 /nfs/dbraw/zinc/67/96/36/998679636.db2.gz IUOZEXDLVAZJBO-RCCFBDPRSA-N -1 3 395.503 3.307 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)CCN1Cc1ccccc1 ZINC001594189954 998736495 /nfs/dbraw/zinc/73/64/95/998736495.db2.gz DFQRHSDWBRXSEJ-MJGOQNOKSA-N -1 3 387.524 3.374 20 0 GGADHM C[C@H]1[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1Cc1ccccc1 ZINC001594189899 998736845 /nfs/dbraw/zinc/73/68/45/998736845.db2.gz CKCGGFHKAXVRAX-YVEFUNNKSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@H]1[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCN1Cc1ccccc1 ZINC001594190552 998740230 /nfs/dbraw/zinc/74/02/30/998740230.db2.gz JDRMGVTUZYUGTC-MGPUTAFESA-N -1 3 379.460 3.073 20 0 GGADHM C[C@H]1[C@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCN1Cc1ccccc1 ZINC001594190741 998742072 /nfs/dbraw/zinc/74/20/72/998742072.db2.gz MAZVETQXABHDTC-HRAATJIYSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCN1Cc1ccccc1 ZINC001594191599 998749759 /nfs/dbraw/zinc/74/97/59/998749759.db2.gz AZKHTYLWVVMVCL-GUYCJALGSA-N -1 3 393.447 3.046 20 0 GGADHM COC(=O)c1cccc([C@@H](NCc2cc(Br)ccc2C)C(=O)[O-])c1 ZINC001598993562 998758466 /nfs/dbraw/zinc/75/84/66/998758466.db2.gz BUJNROUDWRLNRR-MRXNPFEDSA-N -1 3 392.249 3.460 20 0 GGADHM COC(=O)c1cccc([C@@H](NCc2ccc(OC)cc2C(F)(F)F)C(=O)[O-])c1 ZINC001598994471 998766431 /nfs/dbraw/zinc/76/64/31/998766431.db2.gz FZBSWLCGYAPTET-MRXNPFEDSA-N -1 3 397.349 3.416 20 0 GGADHM COC(=O)c1cccc([C@H](NCc2ccc(Br)cc2)C(=O)[O-])c1 ZINC001598996144 998781289 /nfs/dbraw/zinc/78/12/89/998781289.db2.gz OYALSHHJTNYAHE-HNNXBMFYSA-N -1 3 378.222 3.151 20 0 GGADHM COC(=O)c1cccc([C@@H](NCc2ccc(Br)cc2C)C(=O)[O-])c1 ZINC001598997123 998790135 /nfs/dbraw/zinc/79/01/35/998790135.db2.gz XLLOPICEHDBSOX-MRXNPFEDSA-N -1 3 392.249 3.460 20 0 GGADHM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC001598998182 998799895 /nfs/dbraw/zinc/79/98/95/998799895.db2.gz XVEJZRXGXZSQKU-IBGZPJMESA-N -1 3 381.428 3.194 20 0 GGADHM COC(=O)c1cccc(NC2CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)c1 ZINC001598999195 998808518 /nfs/dbraw/zinc/80/85/18/998808518.db2.gz CVKVGZXNTIDWLI-UHFFFAOYSA-N -1 3 398.459 3.013 20 0 GGADHM COC(=O)c1cnc([C@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3F)C2)s1 ZINC001599009612 998886495 /nfs/dbraw/zinc/88/64/95/998886495.db2.gz QXFRXVJOOZEIHZ-XHDPSFHLSA-N -1 3 378.425 3.074 20 0 GGADHM C[C@@H]1C[C@@H](CNC(C)(C)c2cc(C(=O)[O-])on2)CCN1C(=O)OC(C)(C)C ZINC001594244574 998930831 /nfs/dbraw/zinc/93/08/31/998930831.db2.gz XQCGMCBGKUEXIZ-OLZOCXBDSA-N -1 3 381.473 3.233 20 0 GGADHM COC(=O)c1oc([C@@H](C)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599017546 998951603 /nfs/dbraw/zinc/95/16/03/998951603.db2.gz KLELHCWEWXDQIM-VXGBXAGGSA-N -1 3 378.450 3.470 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CN1Cc1ccccc1 ZINC001594253638 998976798 /nfs/dbraw/zinc/97/67/98/998976798.db2.gz ROXLEROWQMSLIY-HRAATJIYSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC001594258720 998997237 /nfs/dbraw/zinc/99/72/37/998997237.db2.gz ZDRRGLNKPXMPIA-DOMZBBRYSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594261542 999010744 /nfs/dbraw/zinc/01/07/44/999010744.db2.gz XKUHBOAETHDCGR-UKRRQHHQSA-N -1 3 385.464 3.421 20 0 GGADHM CO[C@](C)([C@H](C)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CC1 ZINC001599035815 999082390 /nfs/dbraw/zinc/08/23/90/999082390.db2.gz REYNHQACXPJIMB-HUTHGQBESA-N -1 3 389.279 3.423 20 0 GGADHM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300510 999161063 /nfs/dbraw/zinc/16/10/63/999161063.db2.gz TWELNMNCJFAKMG-OQMKEHIESA-N -1 3 397.313 3.295 20 0 GGADHM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300511 999161188 /nfs/dbraw/zinc/16/11/88/999161188.db2.gz TWELNMNCJFAKMG-RSUWNVLCSA-N -1 3 397.313 3.295 20 0 GGADHM CC1CCC(N(C(=O)CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)C2CC2)CC1 ZINC001594307273 999187382 /nfs/dbraw/zinc/18/73/82/999187382.db2.gz WFBXCNNSTBGQEN-MCSCQSGASA-N -1 3 384.520 3.284 20 0 GGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])n2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594383371 999447484 /nfs/dbraw/zinc/44/74/84/999447484.db2.gz ISCXPNYKCLDZDQ-GDBMZVCRSA-N -1 3 379.501 3.239 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])n2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594383374 999447570 /nfs/dbraw/zinc/44/75/70/999447570.db2.gz ISCXPNYKCLDZDQ-HOCLYGCPSA-N -1 3 379.501 3.239 20 0 GGADHM C[C@@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001594384278 999454599 /nfs/dbraw/zinc/45/45/99/999454599.db2.gz QGZXTCIIWCXUMD-CRAIPNDOSA-N -1 3 392.496 3.389 20 0 GGADHM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001594412533 999541964 /nfs/dbraw/zinc/54/19/64/999541964.db2.gz OLYFVPVCSXLMSN-HRCADAONSA-N -1 3 379.526 3.026 20 0 GGADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2Br)C[C@@H]1n1ccnc1 ZINC001594412616 999542000 /nfs/dbraw/zinc/54/20/00/999542000.db2.gz POOQXIZRGIWGRN-KCXAZCMYSA-N -1 3 378.270 3.354 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c2ccccc2)CC1 ZINC001594412690 999542211 /nfs/dbraw/zinc/54/22/11/999542211.db2.gz RBSCDSQTRWPKLN-UGKGYDQZSA-N -1 3 387.524 3.356 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2ccc(C(=O)[O-])nc2)c2cccs2)CC1 ZINC001594422090 999573145 /nfs/dbraw/zinc/57/31/45/999573145.db2.gz NJHYFWHVRJWTIG-MRXNPFEDSA-N -1 3 388.493 3.436 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])nc2)c2cccs2)CC1 ZINC001594422089 999573371 /nfs/dbraw/zinc/57/33/71/999573371.db2.gz NJHYFWHVRJWTIG-INIZCTEOSA-N -1 3 388.493 3.436 20 0 GGADHM C[C@@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594423828 999584083 /nfs/dbraw/zinc/58/40/83/999584083.db2.gz IXXKHXWLHJVHQU-FHFZEBMASA-N -1 3 378.469 3.360 20 0 GGADHM C[C@@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594423827 999584391 /nfs/dbraw/zinc/58/43/91/999584391.db2.gz IXXKHXWLHJVHQU-AZJURWTESA-N -1 3 378.469 3.360 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)c2cccs2)CC1 ZINC001594424171 999587231 /nfs/dbraw/zinc/58/72/31/999587231.db2.gz YBPPSGVOPPHJAM-INIZCTEOSA-N -1 3 388.493 3.436 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2cccc(CC(=O)[O-])n2)c2ccccc2)CC1 ZINC001594424817 999589820 /nfs/dbraw/zinc/58/98/20/999589820.db2.gz ZDKIIYTXSGLNIV-IBGZPJMESA-N -1 3 396.491 3.303 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@@H]3CCC[C@]34CCCO4)c2C(=O)[O-])C1 ZINC001594443238 999630595 /nfs/dbraw/zinc/63/05/95/999630595.db2.gz BQUDFYAQNMAZRU-URFZZILJSA-N -1 3 392.521 3.201 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CN[C@H]3CCOC34CCCC4)c2C(=O)[O-])C1 ZINC001594444530 999634005 /nfs/dbraw/zinc/63/40/05/999634005.db2.gz SRQQHBRJZXUESM-WFASDCNBSA-N -1 3 392.521 3.201 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@@H](CO)C3CCCCC3)c2C(=O)[O-])C1 ZINC001594444579 999634328 /nfs/dbraw/zinc/63/43/28/999634328.db2.gz VCNNZZGNUFZLRB-DOMZBBRYSA-N -1 3 394.537 3.040 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@H](CO)C3CCCCC3)c2C(=O)[O-])C1 ZINC001594444580 999634560 /nfs/dbraw/zinc/63/45/60/999634560.db2.gz VCNNZZGNUFZLRB-IUODEOHRSA-N -1 3 394.537 3.040 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(C2CCCC2)s1 ZINC000417571563 1126080505 /nfs/dbraw/zinc/08/05/05/1126080505.db2.gz FOAQPKSFRLRTOH-GFCCVEGCSA-N -1 3 388.415 3.259 20 0 GGADHM Cc1ccc(-c2ncc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])s2)o1 ZINC000417621604 1126080900 /nfs/dbraw/zinc/08/09/00/1126080900.db2.gz KSIDTSFAJDPKIO-CYBMUJFWSA-N -1 3 380.466 3.376 20 0 GGADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1cccc(Cl)c1Cl ZINC000426731525 1126083953 /nfs/dbraw/zinc/08/39/53/1126083953.db2.gz FKEYZPSBOJQKID-MRXNPFEDSA-N -1 3 391.258 3.360 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cnc(-c2c(F)cccc2F)s1)C(=O)[O-] ZINC000417573687 1126080619 /nfs/dbraw/zinc/08/06/19/1126080619.db2.gz QMQAZGMNEWIJCG-CYBMUJFWSA-N -1 3 398.431 3.363 20 0 GGADHM CCc1[nH]nc(Cl)c1CN[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000900042573 1126128316 /nfs/dbraw/zinc/12/83/16/1126128316.db2.gz DPVHNKQQKLDWLJ-ZDUSSCGKSA-N -1 3 391.777 3.310 20 0 GGADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1cc(Br)ccc1Cl ZINC001320873105 1126170765 /nfs/dbraw/zinc/17/07/65/1126170765.db2.gz WDCNUZFNQMBZQX-GFCCVEGCSA-N -1 3 393.068 3.195 20 0 GGADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1cnc(CCc2ccccc2)s1 ZINC001327471340 1126174104 /nfs/dbraw/zinc/17/41/04/1126174104.db2.gz SNCLNBRWVITCFI-MRXNPFEDSA-N -1 3 390.896 3.021 20 0 GGADHM Cc1cc(CN[C@@H](Cc2cncs2)C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC001600208119 1126218483 /nfs/dbraw/zinc/21/84/83/1126218483.db2.gz XRVLXLBCVKLWNW-INIZCTEOSA-N -1 3 388.880 3.347 20 0 GGADHM Cc1nc(CN[C@@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)c(C)o1 ZINC001600702183 1126219937 /nfs/dbraw/zinc/21/99/37/1126219937.db2.gz KHORSBSBKIHMCI-KRWDZBQOSA-N -1 3 379.254 3.156 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001601660554 1126224826 /nfs/dbraw/zinc/22/48/26/1126224826.db2.gz UMXAOWGDNJPUGJ-LJQANCHMSA-N -1 3 379.435 3.286 20 0 GGADHM O=C([O-])[C@@H](Cc1cncs1)NCc1cccc(Br)c1Cl ZINC001601662641 1126225861 /nfs/dbraw/zinc/22/58/61/1126225861.db2.gz MTCPZLRUXXNSOB-LLVKDONJSA-N -1 3 375.675 3.345 20 0 GGADHM COC(=O)c1ccc(OC)c(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001606601180 1126232221 /nfs/dbraw/zinc/23/22/21/1126232221.db2.gz PSOFDODQPWAMTI-KRWDZBQOSA-N -1 3 383.400 3.014 20 0 GGADHM Cc1nn(-c2ccccc2)c(Cl)c1CN[C@@H](Cc1cncs1)C(=O)[O-] ZINC001607995622 1126235418 /nfs/dbraw/zinc/23/54/18/1126235418.db2.gz MRPZELKGUZMVAW-HNNXBMFYSA-N -1 3 376.869 3.076 20 0 GGADHM Cc1oc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)cc1C(=O)[O-] ZINC001608051666 1126235518 /nfs/dbraw/zinc/23/55/18/1126235518.db2.gz ZNKQADBJOHGTIW-SFHVURJKSA-N -1 3 394.265 3.058 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC001608542153 1126237113 /nfs/dbraw/zinc/23/71/13/1126237113.db2.gz ZNAJSRQLERWQHP-LJQANCHMSA-N -1 3 379.435 3.286 20 0 GGADHM CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000359995626 212130749 /nfs/dbraw/zinc/13/07/49/212130749.db2.gz OYONERMWBQAVJP-CYBMUJFWSA-N -1 3 387.396 3.028 20 0 GGADHM CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000359995626 212130751 /nfs/dbraw/zinc/13/07/51/212130751.db2.gz OYONERMWBQAVJP-CYBMUJFWSA-N -1 3 387.396 3.028 20 0 GGADHM O=C(Nc1ccccc1)C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000008004308 221023850 /nfs/dbraw/zinc/02/38/50/221023850.db2.gz WKHCROPCEDCWJJ-UHFFFAOYSA-N -1 3 378.428 3.349 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccncc3)ccc2C)cc1 ZINC000007989365 221021084 /nfs/dbraw/zinc/02/10/84/221021084.db2.gz ANZWQBPIVAMZDY-UHFFFAOYSA-N -1 3 397.456 3.452 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(CC)on2)c(C(=O)OCC)c1C ZINC000008592839 221045893 /nfs/dbraw/zinc/04/58/93/221045893.db2.gz AGTOGMMITRTGDC-UHFFFAOYSA-N -1 3 380.422 3.213 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000009467797 221081637 /nfs/dbraw/zinc/08/16/37/221081637.db2.gz AOFVQXHCLODXKA-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccccc1C(F)(F)F ZINC000009584166 221086145 /nfs/dbraw/zinc/08/61/45/221086145.db2.gz KMQVREAPBXRLTE-UHFFFAOYSA-N -1 3 395.406 3.429 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000010517506 221103754 /nfs/dbraw/zinc/10/37/54/221103754.db2.gz YEMSCVJCBBIPKN-UHFFFAOYSA-N -1 3 391.443 3.305 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2c(F)cccc2Cl)CC1)c1cccs1 ZINC000010216059 221098331 /nfs/dbraw/zinc/09/83/31/221098331.db2.gz HOAMDLDNGZERGU-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000012525907 221201821 /nfs/dbraw/zinc/20/18/21/221201821.db2.gz WZQZIWZJQNCYKL-KRWDZBQOSA-N -1 3 388.489 3.013 20 0 GGADHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012536718 221203863 /nfs/dbraw/zinc/20/38/63/221203863.db2.gz YLMGWMQBCFKZOF-UHFFFAOYSA-N -1 3 397.903 3.422 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccncc3)c2)cc1 ZINC000012605108 221214587 /nfs/dbraw/zinc/21/45/87/221214587.db2.gz LQRWQDCBFAAKSD-UHFFFAOYSA-N -1 3 395.484 3.429 20 0 GGADHM COc1ccc(C)cc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012743503 221223533 /nfs/dbraw/zinc/22/35/33/221223533.db2.gz SHLPAJDWSBVYBY-UHFFFAOYSA-N -1 3 380.535 3.008 20 0 GGADHM CCOCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000012760722 221228134 /nfs/dbraw/zinc/22/81/34/221228134.db2.gz HGNQUBLKTKDGQM-UHFFFAOYSA-N -1 3 394.468 3.091 20 0 GGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)cc1 ZINC000012775104 221229995 /nfs/dbraw/zinc/22/99/95/221229995.db2.gz ZBGQHJODZLWGKI-UHFFFAOYSA-N -1 3 386.470 3.121 20 0 GGADHM Cc1ccc(CNC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012910527 221244719 /nfs/dbraw/zinc/24/47/19/221244719.db2.gz XFTVBUMBNKHBLT-QGZVFWFLSA-N -1 3 395.503 3.056 20 0 GGADHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000012821887 221237110 /nfs/dbraw/zinc/23/71/10/221237110.db2.gz PMRWNVDFPATGDA-UHFFFAOYSA-N -1 3 398.434 3.084 20 0 GGADHM Cc1ccc(NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c([O-])c1 ZINC000012822397 221237589 /nfs/dbraw/zinc/23/75/89/221237589.db2.gz XKAHJHLEIKDLFQ-UHFFFAOYSA-N -1 3 383.473 3.449 20 0 GGADHM Cc1ccc(CNC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012910532 221244915 /nfs/dbraw/zinc/24/49/15/221244915.db2.gz XFTVBUMBNKHBLT-KRWDZBQOSA-N -1 3 395.503 3.056 20 0 GGADHM O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1[O-] ZINC000012883159 221241235 /nfs/dbraw/zinc/24/12/35/221241235.db2.gz VTBVAVHTTCCTRD-UHFFFAOYSA-N -1 3 388.489 3.138 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000012945143 221249288 /nfs/dbraw/zinc/24/92/88/221249288.db2.gz XLIANTXRNZCWQP-LLVKDONJSA-N -1 3 375.222 3.146 20 0 GGADHM Cc1ccccc1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000013016526 221257595 /nfs/dbraw/zinc/25/75/95/221257595.db2.gz FXVGHGMRINXZOO-MRXNPFEDSA-N -1 3 381.476 3.378 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[O-])c2)C1 ZINC000014249878 221307378 /nfs/dbraw/zinc/30/73/78/221307378.db2.gz TXRIHSMXJOEAQI-HUUCEWRRSA-N -1 3 388.489 3.311 20 0 GGADHM COc1ccc(C)cc1-c1csc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)n1 ZINC000015637463 221337644 /nfs/dbraw/zinc/33/76/44/221337644.db2.gz HJBFPQIHZBRCGL-UHFFFAOYSA-N -1 3 394.460 3.434 20 0 GGADHM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000015865801 221349776 /nfs/dbraw/zinc/34/97/76/221349776.db2.gz FRHPOFDYJMUTDB-KRWDZBQOSA-N -1 3 386.498 3.276 20 0 GGADHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC000016124983 221357726 /nfs/dbraw/zinc/35/77/26/221357726.db2.gz OWRZEPTUUCRTJI-UHFFFAOYSA-N -1 3 397.836 3.022 20 0 GGADHM Cc1ccnc2nc(C(=O)[N-]c3nc4ccc(OC(F)(F)F)cc4s3)nn21 ZINC000018235255 221391499 /nfs/dbraw/zinc/39/14/99/221391499.db2.gz WVUYHBLZAMYLGR-UHFFFAOYSA-N -1 3 394.338 3.193 20 0 GGADHM O=S(=O)([N-]CCN1CCCc2ccccc21)c1ccc(Cl)nc1Cl ZINC000069322453 136165068 /nfs/dbraw/zinc/16/50/68/136165068.db2.gz XBEWKKIIAVYQFV-UHFFFAOYSA-N -1 3 386.304 3.120 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000078239653 136172720 /nfs/dbraw/zinc/17/27/20/136172720.db2.gz BXIWMJHBNIARTB-UHFFFAOYSA-N -1 3 385.773 3.422 20 0 GGADHM C[C@]1(c2cccc(NC(=O)CCSc3ccc(F)cc3)c2)NC(=O)[N-]C1=O ZINC000040117807 221908280 /nfs/dbraw/zinc/90/82/80/221908280.db2.gz WGYVCJDEZXDOMB-LJQANCHMSA-N -1 3 387.436 3.001 20 0 GGADHM Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000056093772 222025655 /nfs/dbraw/zinc/02/56/55/222025655.db2.gz IKDWLSNZPMGLJS-UHFFFAOYSA-N -1 3 398.450 3.355 20 0 GGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000053284710 222010007 /nfs/dbraw/zinc/01/00/07/222010007.db2.gz RGQOVLCTPRFPPM-ZUOKHONESA-N -1 3 383.473 3.002 20 0 GGADHM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000053810607 222012351 /nfs/dbraw/zinc/01/23/51/222012351.db2.gz YUBMYPCCWMAHDH-OAQYLSRUSA-N -1 3 377.400 3.357 20 0 GGADHM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000053810608 222012638 /nfs/dbraw/zinc/01/26/38/222012638.db2.gz YUBMYPCCWMAHDH-NRFANRHFSA-N -1 3 377.400 3.357 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000054574147 222014304 /nfs/dbraw/zinc/01/43/04/222014304.db2.gz ADAMCXGRDCKZBB-NRFANRHFSA-N -1 3 375.472 3.420 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]Cc3c(C)cc(C)cc3C)cc2C1 ZINC000065196140 222108870 /nfs/dbraw/zinc/10/88/70/222108870.db2.gz YFOQIELUESQXMF-UHFFFAOYSA-N -1 3 392.546 3.056 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2ccccc2F)cc1OC ZINC000057993433 222036893 /nfs/dbraw/zinc/03/68/93/222036893.db2.gz VEVIPDDAPMQWEG-UHFFFAOYSA-N -1 3 380.441 3.167 20 0 GGADHM Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[N-]c3nncs3)c12 ZINC000058163354 222042672 /nfs/dbraw/zinc/04/26/72/222042672.db2.gz NLHYKTHYXDZNLZ-UHFFFAOYSA-N -1 3 377.433 3.105 20 0 GGADHM COc1ccc(C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000058197996 222044664 /nfs/dbraw/zinc/04/46/64/222044664.db2.gz VZNNWZKTIQRJAB-CQSZACIVSA-N -1 3 378.469 3.120 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(-c2cccnc2)no1 ZINC000058247125 222047067 /nfs/dbraw/zinc/04/70/67/222047067.db2.gz SBLPXCPLRJEINX-SFHVURJKSA-N -1 3 398.488 3.296 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)s1 ZINC000063773342 222067924 /nfs/dbraw/zinc/06/79/24/222067924.db2.gz OQWBWKLIENTKFW-QGZVFWFLSA-N -1 3 392.546 3.475 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000064374580 222070936 /nfs/dbraw/zinc/07/09/36/222070936.db2.gz NTBPCAKBGYIPEY-LLVKDONJSA-N -1 3 394.880 3.447 20 0 GGADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)n1 ZINC000065514844 222132913 /nfs/dbraw/zinc/13/29/13/222132913.db2.gz BPXWZWHTJRZEIU-LBPRGKRZSA-N -1 3 375.450 3.358 20 0 GGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(C)nc4n[nH]c(C)c43)s2)c1 ZINC000072271250 222218824 /nfs/dbraw/zinc/21/88/24/222218824.db2.gz LGFYQQJNEKTXGC-UHFFFAOYSA-N -1 3 394.460 3.278 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C)ccc1[O-] ZINC000096002565 222369888 /nfs/dbraw/zinc/36/98/88/222369888.db2.gz VGKRGQWTXCMUMP-HNNXBMFYSA-N -1 3 397.397 3.290 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nc2)n1 ZINC000068699399 536089831 /nfs/dbraw/zinc/08/98/31/536089831.db2.gz PLOKNYZUGJKXQL-GOSISDBHSA-N -1 3 398.413 3.250 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1ccc(C)o1 ZINC000121184820 564358165 /nfs/dbraw/zinc/35/81/65/564358165.db2.gz OLCNUEPAIULEGJ-AWEZNQCLSA-N -1 3 388.283 3.158 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1ccnc(Cl)c1I ZINC000132773491 564752526 /nfs/dbraw/zinc/75/25/26/564752526.db2.gz JZJVEKNCHNOEJU-UHFFFAOYSA-N -1 3 391.596 3.451 20 0 GGADHM COCCOCCN(C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000311578179 565581004 /nfs/dbraw/zinc/58/10/04/565581004.db2.gz BYOYNEYIPRMADQ-UHFFFAOYSA-N -1 3 397.107 3.012 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(Br)ccc1Br ZINC000416643403 566099730 /nfs/dbraw/zinc/09/97/30/566099730.db2.gz HDMCKJIPQUCLEB-QMMMGPOBSA-N -1 3 395.116 3.290 20 0 GGADHM CC(C)CN(CC(=O)[O-])Cc1ccc(I)cc1Cl ZINC000578448229 566523381 /nfs/dbraw/zinc/52/33/81/566523381.db2.gz MHRFGFRAUSCOQD-UHFFFAOYSA-N -1 3 381.641 3.487 20 0 GGADHM CSc1nsc([N-]C(=O)c2cccc(F)c2I)n1 ZINC000611005688 566882736 /nfs/dbraw/zinc/88/27/36/566882736.db2.gz HAHVDGLXVAAOJR-UHFFFAOYSA-N -1 3 395.222 3.256 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443753962 567774432 /nfs/dbraw/zinc/77/44/32/567774432.db2.gz JNLOAUXPWQEIGS-ZJUUUORDSA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000114678007 564180458 /nfs/dbraw/zinc/18/04/58/564180458.db2.gz DMPIHYCXLGLHPV-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000114707082 564181045 /nfs/dbraw/zinc/18/10/45/564181045.db2.gz SOVXJTZJSUTFIO-STQMWFEESA-N -1 3 384.548 3.149 20 0 GGADHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000115459610 564194302 /nfs/dbraw/zinc/19/43/02/564194302.db2.gz VHPQJFDFIPHBRV-UHFFFAOYSA-N -1 3 379.309 3.064 20 0 GGADHM CN(C)[C@@H](CNC(=O)Cn1c(-c2cccs2)n[n-]c1=S)c1cccs1 ZINC000115524949 564195343 /nfs/dbraw/zinc/19/53/43/564195343.db2.gz AGCYIOIKMAYHDW-NSHDSACASA-N -1 3 393.563 3.150 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)c(F)c1 ZINC000115584252 564195468 /nfs/dbraw/zinc/19/54/68/564195468.db2.gz BKNBLVLRKPTVSV-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CCC2CCCCC2)s1 ZINC000115586746 564196560 /nfs/dbraw/zinc/19/65/60/564196560.db2.gz GKGDTGBYCGWNHF-CQSZACIVSA-N -1 3 386.583 3.454 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000115656212 564197568 /nfs/dbraw/zinc/19/75/68/564197568.db2.gz WZBYFHBAESNDLJ-LBPRGKRZSA-N -1 3 398.937 3.432 20 0 GGADHM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000116158249 564204417 /nfs/dbraw/zinc/20/44/17/564204417.db2.gz QTNSAPUJHYHRIX-UHFFFAOYSA-N -1 3 394.301 3.339 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000116356329 564208315 /nfs/dbraw/zinc/20/83/15/564208315.db2.gz NRLDYFRWZPOZGV-NWDGAFQWSA-N -1 3 393.336 3.355 20 0 GGADHM CCC(CC)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116341839 564208333 /nfs/dbraw/zinc/20/83/33/564208333.db2.gz NMMCTGIILOFYEE-UHFFFAOYSA-N -1 3 389.315 3.048 20 0 GGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116332857 564208420 /nfs/dbraw/zinc/20/84/20/564208420.db2.gz BZLJQRYOPBTTDM-LLVKDONJSA-N -1 3 389.315 3.191 20 0 GGADHM CC1CCC(N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C2CC2)CC1 ZINC000116464677 564211555 /nfs/dbraw/zinc/21/15/55/564211555.db2.gz KAMDLLJKGISAOH-UHFFFAOYSA-N -1 3 390.958 3.250 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)c(C)c1 ZINC000116711260 564214895 /nfs/dbraw/zinc/21/48/95/564214895.db2.gz VQTJTAHYDJJMKK-UHFFFAOYSA-N -1 3 381.519 3.266 20 0 GGADHM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000116711381 564214943 /nfs/dbraw/zinc/21/49/43/564214943.db2.gz IXHSSEWTMDIITB-UHFFFAOYSA-N -1 3 381.519 3.464 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1C ZINC000116711881 564215061 /nfs/dbraw/zinc/21/50/61/564215061.db2.gz ATJVLJIGRVOGEP-DEOSSOPVSA-N -1 3 381.519 3.300 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c1[O-] ZINC000116980669 564220513 /nfs/dbraw/zinc/22/05/13/564220513.db2.gz VGCRZNHVMAMCTQ-UHFFFAOYSA-N -1 3 382.869 3.293 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1[O-] ZINC000116978706 564220548 /nfs/dbraw/zinc/22/05/48/564220548.db2.gz ORTVHNSXEKHXPI-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1[O-] ZINC000116978757 564221074 /nfs/dbraw/zinc/22/10/74/564221074.db2.gz QUYJUISXSJFWLP-UHFFFAOYSA-N -1 3 380.853 3.047 20 0 GGADHM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)ccc1Cl ZINC000117228652 564223863 /nfs/dbraw/zinc/22/38/63/564223863.db2.gz QGGKZVLBMIPOBB-UHFFFAOYSA-N -1 3 382.869 3.126 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ccc(Br)c(C)c2)n[n-]1 ZINC000539747511 564227000 /nfs/dbraw/zinc/22/70/00/564227000.db2.gz WWIHUUFQRFLSHD-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ccc(Br)c(C)c2)[n-]n1 ZINC000539747511 564227005 /nfs/dbraw/zinc/22/70/05/564227005.db2.gz WWIHUUFQRFLSHD-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM O=S(=O)([N-]c1ccccc1I)c1ccc(F)cc1F ZINC000007053682 564231529 /nfs/dbraw/zinc/23/15/29/564231529.db2.gz REFNTFIJDHSDGK-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1ccc(Br)s1 ZINC000007215889 564233677 /nfs/dbraw/zinc/23/36/77/564233677.db2.gz UDZIUKUGCZEFSE-UHFFFAOYSA-N -1 3 380.260 3.007 20 0 GGADHM O=C(Nc1ncccc1[O-])c1nn(-c2ccc(F)cc2)cc1Br ZINC000117969510 564234938 /nfs/dbraw/zinc/23/49/38/564234938.db2.gz OYCWQVYEEJLWMY-UHFFFAOYSA-N -1 3 377.173 3.127 20 0 GGADHM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1 ZINC000007385679 564236148 /nfs/dbraw/zinc/23/61/48/564236148.db2.gz JGODINFPZNZRPR-UHFFFAOYSA-N -1 3 375.281 3.322 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1ccc(F)cc1F)Nc1ccc(Cl)cc1 ZINC000007476904 564237960 /nfs/dbraw/zinc/23/79/60/564237960.db2.gz KIMSGFBHVDMVHX-UHFFFAOYSA-N -1 3 388.823 3.315 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000119089400 564253819 /nfs/dbraw/zinc/25/38/19/564253819.db2.gz JIGVSBXGMWKQOG-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM CC[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)OC ZINC000009521394 564254155 /nfs/dbraw/zinc/25/41/55/564254155.db2.gz AFIDJDUMHIDRKO-GFCCVEGCSA-N -1 3 378.841 3.218 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000119179893 564257885 /nfs/dbraw/zinc/25/78/85/564257885.db2.gz KTVZEZCSFPNUES-HUUCEWRRSA-N -1 3 383.286 3.302 20 0 GGADHM CCO[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000119179992 564258121 /nfs/dbraw/zinc/25/81/21/564258121.db2.gz KTVZEZCSFPNUES-CABCVRRESA-N -1 3 383.286 3.302 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000010463603 564258395 /nfs/dbraw/zinc/25/83/95/564258395.db2.gz PDVOMNUOUICKDO-UHFFFAOYSA-N -1 3 394.305 3.285 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2nc3ccccc3s2)CC1)c1cccs1 ZINC000011154116 564262209 /nfs/dbraw/zinc/26/22/09/564262209.db2.gz QFOTUQGCYGCTPC-UHFFFAOYSA-N -1 3 393.559 3.301 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1 ZINC000011658701 564265003 /nfs/dbraw/zinc/26/50/03/564265003.db2.gz VHHOSWJLEYXMEI-UHFFFAOYSA-N -1 3 382.482 3.109 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)cc1Cl ZINC000012068335 564266156 /nfs/dbraw/zinc/26/61/56/564266156.db2.gz INNWFRFSPQGXMB-UHFFFAOYSA-N -1 3 380.853 3.058 20 0 GGADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000011901783 564266305 /nfs/dbraw/zinc/26/63/05/564266305.db2.gz NZDOGRAXZDYQRC-UHFFFAOYSA-N -1 3 381.881 3.367 20 0 GGADHM O=c1cc(CSc2nnc(-c3ccccc3Br)o2)occ1[O-] ZINC000119371714 564267799 /nfs/dbraw/zinc/26/77/99/564267799.db2.gz BWFPTNRBZKZGLZ-UHFFFAOYSA-N -1 3 381.207 3.450 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000012544845 564268154 /nfs/dbraw/zinc/26/81/54/564268154.db2.gz BJYJFOMJEVGGBN-UHFFFAOYSA-N -1 3 390.408 3.447 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000119464915 564272053 /nfs/dbraw/zinc/27/20/53/564272053.db2.gz PYPBISSOUUKNAI-NSHDSACASA-N -1 3 376.297 3.177 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCCCC[C@H]1c1ccco1 ZINC000119488512 564273109 /nfs/dbraw/zinc/27/31/09/564273109.db2.gz FPHXHPSCZNONDX-AWEZNQCLSA-N -1 3 382.507 3.153 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000119545949 564276351 /nfs/dbraw/zinc/27/63/51/564276351.db2.gz HXOOYCSYPNQKFQ-OAHLLOKOSA-N -1 3 388.536 3.190 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1ccc(Br)cc1 ZINC000119535421 564276438 /nfs/dbraw/zinc/27/64/38/564276438.db2.gz ALTYQZLKNSIZOL-INIZCTEOSA-N -1 3 395.228 3.500 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000014098523 564279287 /nfs/dbraw/zinc/27/92/87/564279287.db2.gz PPQKRYCCGOBZQL-UHFFFAOYSA-N -1 3 396.306 3.468 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000014098644 564279792 /nfs/dbraw/zinc/27/97/92/564279792.db2.gz LLRNJWWLSASPTN-VXGBXAGGSA-N -1 3 395.352 3.160 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(Br)ccc2Cl)s1 ZINC000119673519 564283028 /nfs/dbraw/zinc/28/30/28/564283028.db2.gz MMKLJQYZMBLZNA-UHFFFAOYSA-N -1 3 390.646 3.383 20 0 GGADHM O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000015100178 564284675 /nfs/dbraw/zinc/28/46/75/564284675.db2.gz ZMSVFBHLFJUYEQ-UHFFFAOYSA-N -1 3 392.424 3.160 20 0 GGADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000015357572 564286174 /nfs/dbraw/zinc/28/61/74/564286174.db2.gz PTWZWDMXZNEJTC-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Cl)cc12 ZINC000015423684 564287485 /nfs/dbraw/zinc/28/74/85/564287485.db2.gz MMRICTLXUIBQNM-UHFFFAOYSA-N -1 3 398.893 3.190 20 0 GGADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 ZINC000015500211 564288360 /nfs/dbraw/zinc/28/83/60/564288360.db2.gz BNYXOPQISAAZNZ-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM O=S(=O)([N-]c1cc(Br)ccc1Br)c1cccnc1 ZINC000119788853 564288657 /nfs/dbraw/zinc/28/86/57/564288657.db2.gz KNYUTEHTRAJUCA-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000015812616 564289903 /nfs/dbraw/zinc/28/99/03/564289903.db2.gz LGSULWPJGOBBJI-VIFPVBQESA-N -1 3 383.474 3.136 20 0 GGADHM [O-]c1ccc(CNc2ncnc3c2cnn3-c2ccncc2)cc1Br ZINC000119820299 564290072 /nfs/dbraw/zinc/29/00/72/564290072.db2.gz WYSKCNIGLKCKMO-UHFFFAOYSA-N -1 3 397.236 3.291 20 0 GGADHM Cc1cc(C)c([N-]c2nnc(S[C@H](C)C(=O)NC(N)=O)s2)c(Cl)c1 ZINC000016328450 564293126 /nfs/dbraw/zinc/29/31/26/564293126.db2.gz PROBGOUUZBXGLD-MRVPVSSYSA-N -1 3 385.902 3.227 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n[n-]1 ZINC000541904847 564294883 /nfs/dbraw/zinc/29/48/83/564294883.db2.gz XHJOZGOTFMYQFH-VIFPVBQESA-N -1 3 398.232 3.305 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)[n-]n1 ZINC000541904847 564294888 /nfs/dbraw/zinc/29/48/88/564294888.db2.gz XHJOZGOTFMYQFH-VIFPVBQESA-N -1 3 398.232 3.305 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)cc(F)c1 ZINC000119967569 564297955 /nfs/dbraw/zinc/29/79/55/564297955.db2.gz FFYRNFSGFYTTHC-CYBMUJFWSA-N -1 3 386.489 3.217 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCC1=CCCCC1 ZINC000017334850 564298432 /nfs/dbraw/zinc/29/84/32/564298432.db2.gz AFOCESXDSXOUFU-UHFFFAOYSA-N -1 3 391.320 3.278 20 0 GGADHM Cc1ccc2oc(NCC[N-]S(=O)(=O)c3ccc(F)cc3Cl)nc2c1 ZINC000509524883 564303450 /nfs/dbraw/zinc/30/34/50/564303450.db2.gz FYYALKAUXSCUOC-UHFFFAOYSA-N -1 3 383.832 3.319 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000020836438 564307496 /nfs/dbraw/zinc/30/74/96/564307496.db2.gz FXVAUXOGMCYJOJ-UHFFFAOYSA-N -1 3 393.824 3.377 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)[C@H]1CCCO1 ZINC000021221495 564309840 /nfs/dbraw/zinc/30/98/40/564309840.db2.gz HMRIPHJJHAWMRT-MRXNPFEDSA-N -1 3 380.853 3.258 20 0 GGADHM Cc1cccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1[O-] ZINC000120227791 564311197 /nfs/dbraw/zinc/31/11/97/564311197.db2.gz QGHGWDSZHTYPOV-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCOCC(C)C ZINC000021700543 564312218 /nfs/dbraw/zinc/31/22/18/564312218.db2.gz PCYFZJXPMMAHMX-UHFFFAOYSA-N -1 3 394.331 3.189 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000120283429 564314035 /nfs/dbraw/zinc/31/40/35/564314035.db2.gz XNZVLHCFBMJIDV-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCc1ccc(F)cc1Br ZINC000022480276 564316932 /nfs/dbraw/zinc/31/69/32/564316932.db2.gz NKPWFODFGHNWEU-UHFFFAOYSA-N -1 3 376.251 3.214 20 0 GGADHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000022496777 564317729 /nfs/dbraw/zinc/31/77/29/564317729.db2.gz VGRVCDYHNGAVAY-UHFFFAOYSA-N -1 3 390.244 3.079 20 0 GGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1Cl ZINC000022874317 564319784 /nfs/dbraw/zinc/31/97/84/564319784.db2.gz FTLNKQSXVAWKHS-UHFFFAOYSA-N -1 3 378.215 3.438 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cc(F)cc(F)c1 ZINC000023440970 564324174 /nfs/dbraw/zinc/32/41/74/564324174.db2.gz JZJWQRZPZHRGQO-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3ccc(C)nc3)s2)cs1 ZINC000120520332 564324219 /nfs/dbraw/zinc/32/42/19/564324219.db2.gz DIOORSXEWXOCFA-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000023440800 564324229 /nfs/dbraw/zinc/32/42/29/564324229.db2.gz GNKGFNKDUHRTAD-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM COc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000023529575 564325083 /nfs/dbraw/zinc/32/50/83/564325083.db2.gz KIMWRSVLRRVROK-UHFFFAOYSA-N -1 3 383.231 3.418 20 0 GGADHM Brc1ccc(C[N-]c2nnc([C@H]3COc4ccccc4O3)o2)nc1 ZINC000542754022 564325143 /nfs/dbraw/zinc/32/51/43/564325143.db2.gz JUWDJJMLVFBAMJ-CQSZACIVSA-N -1 3 389.209 3.352 20 0 GGADHM COc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)c([O-])c1 ZINC000023562425 564325605 /nfs/dbraw/zinc/32/56/05/564325605.db2.gz YVSLAYCOOWISIE-UHFFFAOYSA-N -1 3 380.238 3.314 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000024307705 564329337 /nfs/dbraw/zinc/32/93/37/564329337.db2.gz XGVRSSSCFMGXJJ-LLVKDONJSA-N -1 3 384.889 3.101 20 0 GGADHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000024452612 564330521 /nfs/dbraw/zinc/33/05/21/564330521.db2.gz URUXCPYAZXYRJN-UHFFFAOYSA-N -1 3 392.296 3.006 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2csc(Br)c2)ccc1F ZINC000024462589 564330981 /nfs/dbraw/zinc/33/09/81/564330981.db2.gz YBSODKNINWFHSR-UHFFFAOYSA-N -1 3 393.259 3.274 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000024485361 564331844 /nfs/dbraw/zinc/33/18/44/564331844.db2.gz CFPRBJIMISIYKE-GFCCVEGCSA-N -1 3 393.408 3.350 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000024485774 564331964 /nfs/dbraw/zinc/33/19/64/564331964.db2.gz VIUVNYUDIZJLAQ-NSHDSACASA-N -1 3 377.846 3.123 20 0 GGADHM O=S(=O)([N-]CCN1CCCCCC1)c1ccc(Br)cc1Cl ZINC000024682707 564332408 /nfs/dbraw/zinc/33/24/08/564332408.db2.gz MAUNJFOGQHGFKF-UHFFFAOYSA-N -1 3 395.750 3.257 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1ccc(F)cc1Cl ZINC000024687564 564332895 /nfs/dbraw/zinc/33/28/95/564332895.db2.gz RVTPOKSVNYBVRS-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)s2)cs1 ZINC000120685152 564332968 /nfs/dbraw/zinc/33/29/68/564332968.db2.gz HFBJYQKEUAUWGK-QFIPXVFZSA-N -1 3 392.593 3.006 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)COc1cc(Cl)ccc1Cl ZINC000024837405 564333269 /nfs/dbraw/zinc/33/32/69/564333269.db2.gz RMYSHDXCSGTDAF-UHFFFAOYSA-N -1 3 384.244 3.222 20 0 GGADHM O=C([N-]c1nnc(C2CC2)s1)c1cn(-c2ccc(Br)cc2)nn1 ZINC000024843688 564333308 /nfs/dbraw/zinc/33/33/08/564333308.db2.gz HTXGQZXENMSROJ-UHFFFAOYSA-N -1 3 391.254 3.011 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000024893073 564334730 /nfs/dbraw/zinc/33/47/30/564334730.db2.gz QFYNUTUEIRWXNR-UHFFFAOYSA-N -1 3 389.260 3.382 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000120788177 564336901 /nfs/dbraw/zinc/33/69/01/564336901.db2.gz HGJBGGCPDYCKCU-UHFFFAOYSA-N -1 3 397.250 3.183 20 0 GGADHM O=C([N-]c1nc2ccccc2s1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025324049 564337836 /nfs/dbraw/zinc/33/78/36/564337836.db2.gz NMIVOQIDMQMPEQ-UHFFFAOYSA-N -1 3 393.515 3.395 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccc(Cl)o1 ZINC000025451043 564338685 /nfs/dbraw/zinc/33/86/85/564338685.db2.gz LNXYQCWRCFUUPF-UHFFFAOYSA-N -1 3 382.747 3.026 20 0 GGADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000026234061 564344705 /nfs/dbraw/zinc/34/47/05/564344705.db2.gz ZISISNOGUURVEB-HNNXBMFYSA-N -1 3 395.352 3.019 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1Br ZINC000026543780 564347975 /nfs/dbraw/zinc/34/79/75/564347975.db2.gz UIIJEEZFRZHHIQ-UHFFFAOYSA-N -1 3 384.251 3.193 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000026541549 564348087 /nfs/dbraw/zinc/34/80/87/564348087.db2.gz HILCSCQSPTVVDH-UHFFFAOYSA-N -1 3 389.658 3.002 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCc2sccc2C1 ZINC000026839741 564350820 /nfs/dbraw/zinc/35/08/20/564350820.db2.gz VIINDUANYCYLQM-LLVKDONJSA-N -1 3 388.917 3.266 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCCC1 ZINC000026885452 564350960 /nfs/dbraw/zinc/35/09/60/564350960.db2.gz FUSYWOPBLCEUJD-UHFFFAOYSA-N -1 3 381.361 3.053 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)C2CC2)s1 ZINC000026839160 564351040 /nfs/dbraw/zinc/35/10/40/564351040.db2.gz JJCPRGMKKOEVDL-GOSISDBHSA-N -1 3 378.519 3.122 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000026978708 564351558 /nfs/dbraw/zinc/35/15/58/564351558.db2.gz IWBSTZVRRDQFIJ-RISCZKNCSA-N -1 3 393.336 3.357 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1sccc1Br)N1CCCCC1 ZINC000121090470 564352050 /nfs/dbraw/zinc/35/20/50/564352050.db2.gz UIJOEVWYQYVENV-UHFFFAOYSA-N -1 3 381.361 3.053 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000027597969 564354651 /nfs/dbraw/zinc/35/46/51/564354651.db2.gz CQDRWHPHZSUIEP-UHFFFAOYSA-N -1 3 378.759 3.259 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]CCCSc2ccccc2)cc1OC ZINC000027974513 564357855 /nfs/dbraw/zinc/35/78/55/564357855.db2.gz RBNOAWROYFNVGZ-UHFFFAOYSA-N -1 3 385.482 3.304 20 0 GGADHM O=C(c1cc(S(=O)(=O)Oc2cccc(Cl)c2Cl)c[n-]1)N1CCCC1 ZINC000027938138 564357953 /nfs/dbraw/zinc/35/79/53/564357953.db2.gz OBJXFGMRRJGVBU-UHFFFAOYSA-N -1 3 389.260 3.325 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1ccc(C)o1 ZINC000121184646 564358030 /nfs/dbraw/zinc/35/80/30/564358030.db2.gz OLCNUEPAIULEGJ-CQSZACIVSA-N -1 3 388.283 3.158 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Br)ccc1F ZINC000028021092 564358913 /nfs/dbraw/zinc/35/89/13/564358913.db2.gz YRPFRDKFMFFVNP-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1Cl ZINC000028040895 564359019 /nfs/dbraw/zinc/35/90/19/564359019.db2.gz QNPWPKBMIDXUIL-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 ZINC000028082279 564359375 /nfs/dbraw/zinc/35/93/75/564359375.db2.gz ITTCJDQJQYBEAW-UHFFFAOYSA-N -1 3 378.251 3.436 20 0 GGADHM Cc1csc(-c2ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc2)n1 ZINC000121249776 564360772 /nfs/dbraw/zinc/36/07/72/564360772.db2.gz XYGZFLHWGUZEJQ-AWEZNQCLSA-N -1 3 381.523 3.021 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000028199328 564360763 /nfs/dbraw/zinc/36/07/63/564360763.db2.gz CVKJAJYPHJSHMT-RYUDHWBXSA-N -1 3 393.336 3.166 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1-n1cnnn1 ZINC000028261004 564361780 /nfs/dbraw/zinc/36/17/80/564361780.db2.gz NHCSALYFNDQMGF-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000121301622 564363679 /nfs/dbraw/zinc/36/36/79/564363679.db2.gz OJYQJJUDUUPNBA-WFASDCNBSA-N -1 3 398.937 3.432 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1 ZINC000028782228 564364534 /nfs/dbraw/zinc/36/45/34/564364534.db2.gz KEEVUFDCMJOEAX-UHFFFAOYSA-N -1 3 383.809 3.046 20 0 GGADHM O=C(c1cc(Br)ccc1[O-])N1CCN(CCc2ccccc2)CC1 ZINC000028814269 564365027 /nfs/dbraw/zinc/36/50/27/564365027.db2.gz MEXJDLWDTYINMS-UHFFFAOYSA-N -1 3 389.293 3.155 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000029047530 564365819 /nfs/dbraw/zinc/36/58/19/564365819.db2.gz YLWNPIZIDYIALY-UHFFFAOYSA-N -1 3 378.475 3.157 20 0 GGADHM CC(C)(C)c1ccc(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000121394067 564366863 /nfs/dbraw/zinc/36/68/63/564366863.db2.gz LSGNJXBXSSNPLW-UHFFFAOYSA-N -1 3 380.535 3.030 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)on1 ZINC000029064827 564367257 /nfs/dbraw/zinc/36/72/57/564367257.db2.gz MUNUUBNKLIILBM-SNVBAGLBSA-N -1 3 385.251 3.187 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc2C1)c1ccc(Br)s1 ZINC000029186868 564368058 /nfs/dbraw/zinc/36/80/58/564368058.db2.gz TZCWZDFHPJZARK-SNVBAGLBSA-N -1 3 388.308 3.040 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)OC)cc2Cl)cc1 ZINC000029336343 564369154 /nfs/dbraw/zinc/36/91/54/564369154.db2.gz ZMOXRAFYIOCCCP-UHFFFAOYSA-N -1 3 383.853 3.498 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(Cl)ccc2F)s1 ZINC000029393116 564370173 /nfs/dbraw/zinc/37/01/73/564370173.db2.gz CCKLCMGLOGTWLG-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM O=C(NCCCN1CCc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000029838917 564374978 /nfs/dbraw/zinc/37/49/78/564374978.db2.gz VEKHIMDIMDUCOA-UHFFFAOYSA-N -1 3 389.293 3.333 20 0 GGADHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121594236 564376811 /nfs/dbraw/zinc/37/68/11/564376811.db2.gz QBKHBLPNJONZQA-SNVBAGLBSA-N -1 3 388.536 3.048 20 0 GGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CN2CCOCC2)cc1 ZINC000121589889 564376880 /nfs/dbraw/zinc/37/68/80/564376880.db2.gz VDXOCVPWWRVDBO-UHFFFAOYSA-N -1 3 380.897 3.281 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCSc1ccc(F)cc1 ZINC000030031764 564377216 /nfs/dbraw/zinc/37/72/16/564377216.db2.gz XQYYZQIWFQDMBX-UHFFFAOYSA-N -1 3 377.466 3.265 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@@H]4OCC[C@@H]43)s2)cs1 ZINC000121638004 564378954 /nfs/dbraw/zinc/37/89/54/564378954.db2.gz XFGWGQZQNIFWKC-BZPMIXESSA-N -1 3 384.548 3.416 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1ccccc1 ZINC000030322524 564379095 /nfs/dbraw/zinc/37/90/95/564379095.db2.gz IUVVCSZQBLPCNF-GFCCVEGCSA-N -1 3 378.881 3.307 20 0 GGADHM O=S(=O)([N-]CCCOCC1CCOCC1)c1cc(Cl)ccc1Cl ZINC000121656946 564379957 /nfs/dbraw/zinc/37/99/57/564379957.db2.gz WAZDYQVSGDIGNH-UHFFFAOYSA-N -1 3 382.309 3.105 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1OCCO)c1cc2cc(Cl)ccc2s1 ZINC000121669207 564380683 /nfs/dbraw/zinc/38/06/83/564380683.db2.gz OSXVTAQWMUXZBV-UHFFFAOYSA-N -1 3 397.905 3.404 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1ccc(Cl)cc1F ZINC000030431844 564380853 /nfs/dbraw/zinc/38/08/53/564380853.db2.gz WCAFYIAKUAMBRO-UHFFFAOYSA-N -1 3 392.949 3.119 20 0 GGADHM CCN(CC(C)C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000031378022 564388979 /nfs/dbraw/zinc/38/89/79/564388979.db2.gz SIZIGEDSPOJOEJ-UHFFFAOYSA-N -1 3 381.325 3.166 20 0 GGADHM CC[C@H](NC(=O)CSc1nc2nncc-2c(O)[n-]1)c1ccc(Cl)cc1 ZINC000031610813 564389754 /nfs/dbraw/zinc/38/97/54/564389754.db2.gz FKCIZHUKPJNDNO-LBPRGKRZSA-N -1 3 377.857 3.072 20 0 GGADHM CC[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000031683693 564390656 /nfs/dbraw/zinc/39/06/56/564390656.db2.gz VGGWCUUWKMTPKW-LBPRGKRZSA-N -1 3 393.336 3.310 20 0 GGADHM CSc1ccc([C@H](C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000031695692 564390862 /nfs/dbraw/zinc/39/08/62/564390862.db2.gz SUNJXMWZABHTMN-LBPRGKRZSA-N -1 3 384.548 3.016 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1Br ZINC000031932021 564394505 /nfs/dbraw/zinc/39/45/05/564394505.db2.gz MSAOSSIUORYNFA-SECBINFHSA-N -1 3 375.226 3.220 20 0 GGADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000032094611 564396692 /nfs/dbraw/zinc/39/66/92/564396692.db2.gz RNRSXSGJEIEQBR-UHFFFAOYSA-N -1 3 384.860 3.425 20 0 GGADHM O=c1[n-]nc(SCc2cncc(Br)c2)n1CCc1ccccc1 ZINC000032327170 564397586 /nfs/dbraw/zinc/39/75/86/564397586.db2.gz NXHGEFMDRFQRJU-UHFFFAOYSA-N -1 3 391.294 3.264 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1F ZINC000032401845 564398726 /nfs/dbraw/zinc/39/87/26/564398726.db2.gz CGBWKTAYPXNHKZ-UHFFFAOYSA-N -1 3 382.888 3.422 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(Cl)c1 ZINC000122071450 564399083 /nfs/dbraw/zinc/39/90/83/564399083.db2.gz ORUSZLXYYIKSKS-UHFFFAOYSA-N -1 3 388.823 3.152 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N1CCc2sccc2C1 ZINC000032433909 564399162 /nfs/dbraw/zinc/39/91/62/564399162.db2.gz HNDHFVSRXCWKGD-NSHDSACASA-N -1 3 388.917 3.266 20 0 GGADHM CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000122138960 564401042 /nfs/dbraw/zinc/40/10/42/564401042.db2.gz DITLHTSORMXQSX-UHFFFAOYSA-N -1 3 385.225 3.342 20 0 GGADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000032473513 564401410 /nfs/dbraw/zinc/40/14/10/564401410.db2.gz AKZUBTMAOUGYGN-YUMQZZPRSA-N -1 3 383.105 3.146 20 0 GGADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000032473506 564401877 /nfs/dbraw/zinc/40/18/77/564401877.db2.gz AKZUBTMAOUGYGN-HTQZYQBOSA-N -1 3 383.105 3.146 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000032589634 564402515 /nfs/dbraw/zinc/40/25/15/564402515.db2.gz LKEQFOIGIONSIZ-UHFFFAOYSA-N -1 3 380.853 3.498 20 0 GGADHM C[C@H](Sc1ncc2ccccn21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672081 564404212 /nfs/dbraw/zinc/40/42/12/564404212.db2.gz PXGHIEBABRZZJS-LBPRGKRZSA-N -1 3 375.475 3.069 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000032683386 564404235 /nfs/dbraw/zinc/40/42/35/564404235.db2.gz VUYOZDGAKNJRJD-SECBINFHSA-N -1 3 393.317 3.211 20 0 GGADHM O=S(=O)([N-]CCNCc1cnc(-c2ccsc2)s1)c1cccs1 ZINC000122192829 564404542 /nfs/dbraw/zinc/40/45/42/564404542.db2.gz ATJZMEQDHIWJQO-UHFFFAOYSA-N -1 3 385.561 3.001 20 0 GGADHM O=S(=O)([N-]CCNCc1csc(-c2cccs2)n1)c1cccs1 ZINC000122281387 564406758 /nfs/dbraw/zinc/40/67/58/564406758.db2.gz NEXJEFSPYOZMOD-UHFFFAOYSA-N -1 3 385.561 3.001 20 0 GGADHM O=S(=O)([N-]CCCOCc1ccccc1)c1ccc(Br)s1 ZINC000032814230 564406693 /nfs/dbraw/zinc/40/66/93/564406693.db2.gz FAKWYAHAYBAQQQ-UHFFFAOYSA-N -1 3 390.324 3.396 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCOc1cccc(Cl)c1 ZINC000032945667 564407701 /nfs/dbraw/zinc/40/77/01/564407701.db2.gz RAYLIJPBNXBDLG-UHFFFAOYSA-N -1 3 377.853 3.066 20 0 GGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000032965505 564408639 /nfs/dbraw/zinc/40/86/39/564408639.db2.gz RQESOKDLWWONSK-LBPRGKRZSA-N -1 3 382.869 3.426 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)Nc1nnc(-c2ccccn2)[n-]1 ZINC000122381281 564412217 /nfs/dbraw/zinc/41/22/17/564412217.db2.gz UWNLFRWQRKYHSS-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)Nc1nc(-c2ccccn2)n[n-]1 ZINC000122381281 564412218 /nfs/dbraw/zinc/41/22/18/564412218.db2.gz UWNLFRWQRKYHSS-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)Nc1n[n-]c(-c2ccccn2)n1 ZINC000122381281 564412222 /nfs/dbraw/zinc/41/22/22/564412222.db2.gz UWNLFRWQRKYHSS-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122451002 564414541 /nfs/dbraw/zinc/41/45/41/564414541.db2.gz WCOAFWQYOVEFGO-VIFPVBQESA-N -1 3 399.881 3.500 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccs1 ZINC000036079591 564416061 /nfs/dbraw/zinc/41/60/61/564416061.db2.gz XABWCJFNEOLSCJ-VIFPVBQESA-N -1 3 395.369 3.153 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1cccs1 ZINC000036622089 564417013 /nfs/dbraw/zinc/41/70/13/564417013.db2.gz KJLKOGZVMISTDK-WBMJQRKESA-N -1 3 384.498 3.068 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)OC(C)(C)C ZINC000036398466 564417489 /nfs/dbraw/zinc/41/74/89/564417489.db2.gz NZEDGLJTTCQMFT-UHFFFAOYSA-N -1 3 380.869 3.014 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1 ZINC000036723249 564418655 /nfs/dbraw/zinc/41/86/55/564418655.db2.gz YRYBQRIMMMQTBX-UHFFFAOYSA-N -1 3 388.272 3.286 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl ZINC000036723246 564418713 /nfs/dbraw/zinc/41/87/13/564418713.db2.gz XYFMEQKEUJBDSR-UHFFFAOYSA-N -1 3 388.272 3.286 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000039488417 564424486 /nfs/dbraw/zinc/42/44/86/564424486.db2.gz JKIBFUXPTQFWST-UHFFFAOYSA-N -1 3 390.324 3.430 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1=O ZINC000040438599 564428215 /nfs/dbraw/zinc/42/82/15/564428215.db2.gz LEBQZWONKGCPGG-UHFFFAOYSA-N -1 3 391.674 3.085 20 0 GGADHM O=S(=O)(CCc1ccccc1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000041154210 564430354 /nfs/dbraw/zinc/43/03/54/564430354.db2.gz WTPAGMLTKBNSCM-UHFFFAOYSA-N -1 3 377.853 3.052 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1cccc(Cl)c1Cl ZINC000041626918 564434505 /nfs/dbraw/zinc/43/45/05/564434505.db2.gz QSRBCZMBFPQKKG-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CC(C)S(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000041787025 564436467 /nfs/dbraw/zinc/43/64/67/564436467.db2.gz LSUFAAAOMHSNNR-UHFFFAOYSA-N -1 3 377.447 3.233 20 0 GGADHM O=C(Nc1cc2ccc(Br)cn2n1)c1c[n-]nc1-c1ccncc1 ZINC000513734172 564436907 /nfs/dbraw/zinc/43/69/07/564436907.db2.gz VQMLBLDJUCKCCD-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM O=C(Nc1cc2ccc(Br)cn2n1)c1cn[n-]c1-c1ccncc1 ZINC000513734172 564436910 /nfs/dbraw/zinc/43/69/10/564436910.db2.gz VQMLBLDJUCKCCD-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM O=C(Nc1cc2ccc(Br)cn2n1)c1c[n-]c2ccccc2c1=O ZINC000513743583 564437614 /nfs/dbraw/zinc/43/76/14/564437614.db2.gz YVAAHCZBFXGZSV-UHFFFAOYSA-N -1 3 383.205 3.191 20 0 GGADHM O=C(Nc1cc2ccc(Br)cn2n1)c1cnc2ccccc2c1[O-] ZINC000513743583 564437618 /nfs/dbraw/zinc/43/76/18/564437618.db2.gz YVAAHCZBFXGZSV-UHFFFAOYSA-N -1 3 383.205 3.191 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCN1C1CCCCC1 ZINC000123057685 564437583 /nfs/dbraw/zinc/43/75/83/564437583.db2.gz LEIRWSVSBKINJS-ZDUSSCGKSA-N -1 3 391.320 3.205 20 0 GGADHM O=C(NCc1cc(Br)ccc1F)c1c[n-]c2ccccc2c1=O ZINC000042042773 564441176 /nfs/dbraw/zinc/44/11/76/564441176.db2.gz UMVWCODGVPTUSN-UHFFFAOYSA-N -1 3 375.197 3.360 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(Br)cc1 ZINC000042091315 564441899 /nfs/dbraw/zinc/44/18/99/564441899.db2.gz LKACZGCTALFAIV-UHFFFAOYSA-N -1 3 399.248 3.084 20 0 GGADHM Cc1c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)oc2c1C(=O)CCC2 ZINC000042217176 564443415 /nfs/dbraw/zinc/44/34/15/564443415.db2.gz XRIOTNBOQIVYDL-UHFFFAOYSA-N -1 3 381.837 3.416 20 0 GGADHM Cc1oc(C(=O)[N-]c2cc(Cl)ccc2F)cc1S(=O)(=O)N1CCCC1 ZINC000042349354 564445943 /nfs/dbraw/zinc/44/59/43/564445943.db2.gz VSABEYLTSQCWKP-UHFFFAOYSA-N -1 3 386.832 3.417 20 0 GGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccc(Br)cn1 ZINC000479763311 564450340 /nfs/dbraw/zinc/45/03/40/564450340.db2.gz AAVJAKKTOUPWPT-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccc(Br)cn1 ZINC000479763311 564450344 /nfs/dbraw/zinc/45/03/44/564450344.db2.gz AAVJAKKTOUPWPT-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N(C)C)c1 ZINC000042985961 564451809 /nfs/dbraw/zinc/45/18/09/564451809.db2.gz HRFBEVKINVQXMK-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccs1 ZINC000123564779 564453731 /nfs/dbraw/zinc/45/37/31/564453731.db2.gz ZQSVIJGAQGJUPZ-ZDUSSCGKSA-N -1 3 391.873 3.264 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccsc1 ZINC000043112534 564453842 /nfs/dbraw/zinc/45/38/42/564453842.db2.gz RUQGCQIYVKDVPU-UHFFFAOYSA-N -1 3 393.317 3.040 20 0 GGADHM O=S(=O)([N-]C1CCN(C/C=C/c2ccc(F)cc2)CC1)c1cccs1 ZINC000123628672 564455953 /nfs/dbraw/zinc/45/59/53/564455953.db2.gz BUKUPKFOZMPLSG-HNQUOIGGSA-N -1 3 380.510 3.343 20 0 GGADHM CCCc1nc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cs1 ZINC000043610625 564460140 /nfs/dbraw/zinc/46/01/40/564460140.db2.gz UFMBUYKSHHMZMM-UHFFFAOYSA-N -1 3 385.580 3.100 20 0 GGADHM O=C(NCc1ccco1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000123762413 564460649 /nfs/dbraw/zinc/46/06/49/564460649.db2.gz GGYMBGQLOHGLKV-UHFFFAOYSA-N -1 3 382.507 3.272 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000043760759 564462240 /nfs/dbraw/zinc/46/22/40/564462240.db2.gz IDPFOHWXIQCPMW-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000043768179 564462369 /nfs/dbraw/zinc/46/23/69/564462369.db2.gz QJDZMQTUEKKEHQ-UHFFFAOYSA-N -1 3 378.881 3.331 20 0 GGADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1F ZINC000123801382 564462512 /nfs/dbraw/zinc/46/25/12/564462512.db2.gz DBPVHAWNPSDOGM-UHFFFAOYSA-N -1 3 386.470 3.005 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1nc(-c2ccccc2)c(C)s1 ZINC000123853498 564463229 /nfs/dbraw/zinc/46/32/29/564463229.db2.gz ZFDJYLKRNXUDJN-UHFFFAOYSA-N -1 3 377.491 3.244 20 0 GGADHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000044253228 564464632 /nfs/dbraw/zinc/46/46/32/564464632.db2.gz ABEAZCPKJHNQEA-UHFFFAOYSA-N -1 3 380.274 3.198 20 0 GGADHM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cncc(Br)c1 ZINC000044244797 564465254 /nfs/dbraw/zinc/46/52/54/564465254.db2.gz XJFUANOPBNHCKO-ZDUSSCGKSA-N -1 3 385.308 3.360 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000123893557 564465641 /nfs/dbraw/zinc/46/56/41/564465641.db2.gz PLZFQFDOVLDIGH-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM O=C(NCc1cccs1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000123885296 564465650 /nfs/dbraw/zinc/46/56/50/564465650.db2.gz IOQVPUJGRGSJRN-UHFFFAOYSA-N -1 3 398.556 3.280 20 0 GGADHM CCS(=O)(=O)CCS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000123925345 564466117 /nfs/dbraw/zinc/46/61/17/564466117.db2.gz UDGMMEQETXWTOP-SNVBAGLBSA-N -1 3 398.531 3.474 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000123929098 564466367 /nfs/dbraw/zinc/46/63/67/564466367.db2.gz MSJRCIJIBPFNIG-UHFFFAOYSA-N -1 3 396.515 3.240 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CN1C1CC1 ZINC000124021033 564469238 /nfs/dbraw/zinc/46/92/38/564469238.db2.gz LTAWEZSGZROECK-ZJUUUORDSA-N -1 3 382.835 3.262 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(C)cc1OCC(F)(F)F ZINC000124163838 564473473 /nfs/dbraw/zinc/47/34/73/564473473.db2.gz BSTAZFDAIHBMPK-UHFFFAOYSA-N -1 3 395.424 3.485 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000044894881 564474897 /nfs/dbraw/zinc/47/48/97/564474897.db2.gz HVIVYWKXGUJRCX-UHFFFAOYSA-N -1 3 397.371 3.049 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000124241548 564475897 /nfs/dbraw/zinc/47/58/97/564475897.db2.gz KSQLKXXHXVPZJH-UHFFFAOYSA-N -1 3 382.295 3.055 20 0 GGADHM O=C(NC1CCCCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000124243516 564476330 /nfs/dbraw/zinc/47/63/30/564476330.db2.gz SRHANYUQIJPYNB-UHFFFAOYSA-N -1 3 384.548 3.351 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000124265166 564476845 /nfs/dbraw/zinc/47/68/45/564476845.db2.gz QXGLIPNNAVCWMH-UHFFFAOYSA-N -1 3 384.361 3.286 20 0 GGADHM Cc1ccc(I)cc1NC(=O)[N-]c1nnc2ccccn21 ZINC000480534997 564477532 /nfs/dbraw/zinc/47/75/32/564477532.db2.gz GBGQXWVAKLVBBU-UHFFFAOYSA-N -1 3 393.188 3.286 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000045204613 564479902 /nfs/dbraw/zinc/47/99/02/564479902.db2.gz MZIBYRNQTDFSHE-VXGBXAGGSA-N -1 3 393.336 3.357 20 0 GGADHM Cc1cscc1NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000124496664 564483982 /nfs/dbraw/zinc/48/39/82/564483982.db2.gz HJNXVCDSQPVBNY-UHFFFAOYSA-N -1 3 385.536 3.093 20 0 GGADHM O=C([N-]c1ccc(O)cc1F)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000124555724 564485631 /nfs/dbraw/zinc/48/56/31/564485631.db2.gz GZWQKRZMJDOGDW-UHFFFAOYSA-N -1 3 384.454 3.020 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000045808150 564489728 /nfs/dbraw/zinc/48/97/28/564489728.db2.gz ZDOLGBDCUCBIGO-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM O=C(c1cc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)c[n-]1)N1CCCC1 ZINC000045796909 564489751 /nfs/dbraw/zinc/48/97/51/564489751.db2.gz VWRZZIIDFCHTLI-UHFFFAOYSA-N -1 3 389.260 3.325 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000124716276 564490428 /nfs/dbraw/zinc/49/04/28/564490428.db2.gz NLCLKOLYKFLIEU-UKRRQHHQSA-N -1 3 383.897 3.182 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000124715854 564490614 /nfs/dbraw/zinc/49/06/14/564490614.db2.gz NLCLKOLYKFLIEU-HIFRSBDPSA-N -1 3 383.897 3.182 20 0 GGADHM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000124718167 564490676 /nfs/dbraw/zinc/49/06/76/564490676.db2.gz VYIVDSVAOMRENK-UHFFFAOYSA-N -1 3 378.201 3.143 20 0 GGADHM CSCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000124771499 564492454 /nfs/dbraw/zinc/49/24/54/564492454.db2.gz OYVGOTHCOGTCAX-UHFFFAOYSA-N -1 3 382.482 3.062 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@]3(C)CCCC[C@@H]3O)s2)cs1 ZINC000124794527 564493401 /nfs/dbraw/zinc/49/34/01/564493401.db2.gz SPWVGEZMZFSYNR-HOCLYGCPSA-N -1 3 386.564 3.400 20 0 GGADHM Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)c([O-])c1 ZINC000046567453 564503823 /nfs/dbraw/zinc/50/38/23/564503823.db2.gz CPKJCZIHOLFNRO-UHFFFAOYSA-N -1 3 398.278 3.017 20 0 GGADHM CCc1c(C)sc2[n-]c(CS(=O)(=O)c3ccc(Cl)cc3)nc(=O)c12 ZINC000046703095 564506383 /nfs/dbraw/zinc/50/63/83/564506383.db2.gz VOMPILDXEZVTQV-UHFFFAOYSA-N -1 3 382.894 3.483 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)oc1C ZINC000046803312 564508201 /nfs/dbraw/zinc/50/82/01/564508201.db2.gz SMTRQGJVNWWAPC-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000125285025 564509486 /nfs/dbraw/zinc/50/94/86/564509486.db2.gz BNQZIKMVSDRLPM-LBPRGKRZSA-N -1 3 386.267 3.407 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCC1 ZINC000125312750 564509894 /nfs/dbraw/zinc/50/98/94/564509894.db2.gz ZECASGKIHRRIKF-UHFFFAOYSA-N -1 3 382.309 3.487 20 0 GGADHM Cc1c([C@H](C)NC(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cnn1C ZINC000047007156 564510866 /nfs/dbraw/zinc/51/08/66/564510866.db2.gz WXEUPWSEQMSPQE-ZETCQYMHSA-N -1 3 376.770 3.183 20 0 GGADHM COc1ccccc1S(=O)(=O)[N-]c1ccccc1I ZINC000047215610 564515614 /nfs/dbraw/zinc/51/56/14/564515614.db2.gz CYGNBAXZCADVAQ-UHFFFAOYSA-N -1 3 389.214 3.101 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)c1C ZINC000125611248 564520260 /nfs/dbraw/zinc/52/02/60/564520260.db2.gz KGWYOOMNRVZRGH-INIZCTEOSA-N -1 3 378.519 3.007 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2ncc(-c3ccccc3Br)o2)[n-]1 ZINC000125775462 564526780 /nfs/dbraw/zinc/52/67/80/564526780.db2.gz UEFXRFYVSSWRIO-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2ncc(-c3ccccc3Br)o2)n1 ZINC000125775462 564526785 /nfs/dbraw/zinc/52/67/85/564526785.db2.gz UEFXRFYVSSWRIO-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000047910803 564528033 /nfs/dbraw/zinc/52/80/33/564528033.db2.gz LHHBVYKMNATKEU-NWDGAFQWSA-N -1 3 378.475 3.039 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000048015427 564530594 /nfs/dbraw/zinc/53/05/94/564530594.db2.gz KSRLUAJEDVOXAJ-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000125964808 564532181 /nfs/dbraw/zinc/53/21/81/564532181.db2.gz FLMMQELJJROLRI-CQSZACIVSA-N -1 3 381.226 3.141 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000125965480 564532210 /nfs/dbraw/zinc/53/22/10/564532210.db2.gz ZOMUWTJEJJODNQ-CYBMUJFWSA-N -1 3 389.249 3.142 20 0 GGADHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(Br)cc3[O-])c12 ZINC000126009031 564534146 /nfs/dbraw/zinc/53/41/46/564534146.db2.gz MMQRIMZBIUAVDE-UHFFFAOYSA-N -1 3 375.226 3.306 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c([O-])c1 ZINC000048323673 564536284 /nfs/dbraw/zinc/53/62/84/564536284.db2.gz VIAUYNDJOFQARK-AWEZNQCLSA-N -1 3 389.249 3.455 20 0 GGADHM Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)c([O-])c1 ZINC000048323728 564536358 /nfs/dbraw/zinc/53/63/58/564536358.db2.gz BNCHJUXDWCJAEW-SECBINFHSA-N -1 3 383.267 3.282 20 0 GGADHM C[C@](CO)(NC(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000126145739 564538750 /nfs/dbraw/zinc/53/87/50/564538750.db2.gz JRYJPEYKOUYVDG-QGZVFWFLSA-N -1 3 385.302 3.285 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC2(CC(C)C)CCCC2)s1 ZINC000126168281 564538825 /nfs/dbraw/zinc/53/88/25/564538825.db2.gz GGJOSIPHKHJTSB-UHFFFAOYSA-N -1 3 387.571 3.062 20 0 GGADHM C[C@H](CNc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126174922 564539822 /nfs/dbraw/zinc/53/98/22/564539822.db2.gz QQYMDLVUNKKHQG-GFCCVEGCSA-N -1 3 378.270 3.455 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c1 ZINC000126230923 564541606 /nfs/dbraw/zinc/54/16/06/564541606.db2.gz BOLDMJKXSSYWKM-CYBMUJFWSA-N -1 3 380.329 3.022 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CN1C1CC1 ZINC000126250861 564541932 /nfs/dbraw/zinc/54/19/32/564541932.db2.gz ATECTYNDZVLCOZ-GXSJLCMTSA-N -1 3 393.734 3.006 20 0 GGADHM CN(C)CCN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCCC1 ZINC000126271598 564542604 /nfs/dbraw/zinc/54/26/04/564542604.db2.gz HHOROXFOTITWHM-UHFFFAOYSA-N -1 3 384.318 3.171 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCN(C2CCCCC2)CC1 ZINC000126265779 564542804 /nfs/dbraw/zinc/54/28/04/564542804.db2.gz SSSHYMZFPMBHOH-UHFFFAOYSA-N -1 3 396.329 3.315 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(I)cc1 ZINC000049375412 564551491 /nfs/dbraw/zinc/55/14/91/564551491.db2.gz ACPIFGHWMCZMIK-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000126253257 564543075 /nfs/dbraw/zinc/54/30/75/564543075.db2.gz OAUCVKUVPWTCCL-MWLCHTKSSA-N -1 3 382.835 3.262 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)s1 ZINC000126291268 564543555 /nfs/dbraw/zinc/54/35/55/564543555.db2.gz NYTUMLPTDXCMOM-LLVKDONJSA-N -1 3 386.564 3.145 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000126291902 564543840 /nfs/dbraw/zinc/54/38/40/564543840.db2.gz XLVJCBIDERBTRM-HOTGVXAUSA-N -1 3 386.583 3.310 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000126330293 564545607 /nfs/dbraw/zinc/54/56/07/564545607.db2.gz MDUIPNDQAFLXNW-JTQLQIEISA-N -1 3 382.291 3.374 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000126330527 564545823 /nfs/dbraw/zinc/54/58/23/564545823.db2.gz MDUIPNDQAFLXNW-SNVBAGLBSA-N -1 3 382.291 3.374 20 0 GGADHM O=S(=O)([N-]Cc1ccoc1)c1ccc(Br)cc1Br ZINC000049001753 564547768 /nfs/dbraw/zinc/54/77/68/564547768.db2.gz MCCJIENYDPUJHW-UHFFFAOYSA-N -1 3 395.072 3.283 20 0 GGADHM O=C(CCc1cc(Cl)cs1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000126444470 564549449 /nfs/dbraw/zinc/54/94/49/564549449.db2.gz NUNCMUPTAQQAHW-UHFFFAOYSA-N -1 3 378.881 3.024 20 0 GGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126442099 564549617 /nfs/dbraw/zinc/54/96/17/564549617.db2.gz OSBOXALXVWZQPN-UHFFFAOYSA-N -1 3 375.226 3.375 20 0 GGADHM Cc1ccccc1[C@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(N)=O ZINC000126484890 564550578 /nfs/dbraw/zinc/55/05/78/564550578.db2.gz ACJCOSWOCLTZFG-ZDUSSCGKSA-N -1 3 392.253 3.201 20 0 GGADHM O=C(Cc1csc(-c2cnccn2)n1)Nc1cc(Br)ccc1[O-] ZINC000126543098 564553106 /nfs/dbraw/zinc/55/31/06/564553106.db2.gz JDZZGOBPISKBDF-UHFFFAOYSA-N -1 3 391.250 3.249 20 0 GGADHM CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000126548279 564553310 /nfs/dbraw/zinc/55/33/10/564553310.db2.gz UVMKYFCSQSFVGP-UHFFFAOYSA-N -1 3 398.301 3.267 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126594095 564554069 /nfs/dbraw/zinc/55/40/69/564554069.db2.gz XZVFRTSXNRAFDX-OLZOCXBDSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126594095 564554071 /nfs/dbraw/zinc/55/40/71/564554071.db2.gz XZVFRTSXNRAFDX-OLZOCXBDSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126594095 564554072 /nfs/dbraw/zinc/55/40/72/564554072.db2.gz XZVFRTSXNRAFDX-OLZOCXBDSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2c([nH]c1=O)CCCCC2 ZINC000126607719 564554958 /nfs/dbraw/zinc/55/49/58/564554958.db2.gz LORFDHPBDXENPF-UHFFFAOYSA-N -1 3 377.238 3.364 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126604684 564555153 /nfs/dbraw/zinc/55/51/53/564555153.db2.gz AVNSBTOISIOIHN-UHFFFAOYSA-N -1 3 384.251 3.119 20 0 GGADHM O=S(=O)([N-]c1cccc(N2CCN(CC3CC3)CC2)c1)c1cccs1 ZINC000126609207 564555530 /nfs/dbraw/zinc/55/55/30/564555530.db2.gz XLKGMRYCKFAFSL-UHFFFAOYSA-N -1 3 377.535 3.081 20 0 GGADHM O=C(CCc1nc(-c2ccoc2)no1)Nc1cc(Br)ccc1[O-] ZINC000126649121 564557483 /nfs/dbraw/zinc/55/74/83/564557483.db2.gz OQOTWBXTIWAZQW-UHFFFAOYSA-N -1 3 378.182 3.369 20 0 GGADHM CC(C)c1nc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cs1 ZINC000051320984 564563470 /nfs/dbraw/zinc/56/34/70/564563470.db2.gz JTEVJLOEOKIHKL-UHFFFAOYSA-N -1 3 385.580 3.271 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2nccs2)CC1 ZINC000052460440 564572635 /nfs/dbraw/zinc/57/26/35/564572635.db2.gz OXKZBSDSHXJMPV-UHFFFAOYSA-N -1 3 380.857 3.385 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2ccccc2c1 ZINC000127130312 564573908 /nfs/dbraw/zinc/57/39/08/564573908.db2.gz BMMBMFOWHVIFJD-UHFFFAOYSA-N -1 3 394.905 3.263 20 0 GGADHM Cc1ccc(Br)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000127165831 564575948 /nfs/dbraw/zinc/57/59/48/564575948.db2.gz NDOHYVATRDUKGQ-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM Cn1ncc2c1nc(CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[n-]c2=O ZINC000052830045 564577605 /nfs/dbraw/zinc/57/76/05/564577605.db2.gz RBGJCYBIPBTAAB-AWEZNQCLSA-N -1 3 378.263 3.301 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000127252798 564578336 /nfs/dbraw/zinc/57/83/36/564578336.db2.gz ITCOENUKDGCCBM-UHFFFAOYSA-N -1 3 398.278 3.226 20 0 GGADHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1[O-] ZINC000053500703 564589710 /nfs/dbraw/zinc/58/97/10/564589710.db2.gz XENTVZWQYDHLMW-UHFFFAOYSA-N -1 3 381.201 3.052 20 0 GGADHM Cc1c2ccccc2oc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127742956 564594431 /nfs/dbraw/zinc/59/44/31/564594431.db2.gz IFDDLWYDHJHQOJ-UHFFFAOYSA-N -1 3 398.893 3.164 20 0 GGADHM O=S(=O)([N-]CCNCc1coc(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000127765275 564594952 /nfs/dbraw/zinc/59/49/52/564594952.db2.gz HSIWGSMSLIJHNR-UHFFFAOYSA-N -1 3 397.909 3.125 20 0 GGADHM COc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000127795154 564596345 /nfs/dbraw/zinc/59/63/45/564596345.db2.gz OSHVVKRCBYWXGC-UHFFFAOYSA-N -1 3 383.231 3.418 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1csnn1 ZINC000127787887 564596369 /nfs/dbraw/zinc/59/63/69/564596369.db2.gz SYOVTVAVLHFYIX-UHFFFAOYSA-N -1 3 394.865 3.245 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc2cccnc21)c1ccc(Cl)s1 ZINC000127808487 564597006 /nfs/dbraw/zinc/59/70/06/564597006.db2.gz MIQFFAIRGZCZOA-UHFFFAOYSA-N -1 3 381.910 3.018 20 0 GGADHM CC(C)(C)c1ncc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000127869393 564599129 /nfs/dbraw/zinc/59/91/29/564599129.db2.gz IXTFBTACCCRWTL-UHFFFAOYSA-N -1 3 393.987 3.224 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000127931067 564601730 /nfs/dbraw/zinc/60/17/30/564601730.db2.gz UHZAKEMQNQXOKQ-HNNXBMFYSA-N -1 3 398.937 3.434 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000127937949 564601779 /nfs/dbraw/zinc/60/17/79/564601779.db2.gz NRIICUUCFBRZEO-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1c(Cl)cccc1Cl ZINC000054798245 564609036 /nfs/dbraw/zinc/60/90/36/564609036.db2.gz ADLPSFINQIPTFN-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000054798224 564609268 /nfs/dbraw/zinc/60/92/68/564609268.db2.gz RLUGPMKICZQNDM-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000128188652 564610533 /nfs/dbraw/zinc/61/05/33/564610533.db2.gz AUDAUAGGQOIJFA-UHFFFAOYSA-N -1 3 387.299 3.349 20 0 GGADHM Cn1c(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)nc2c1cccc2F ZINC000128222424 564611615 /nfs/dbraw/zinc/61/16/15/564611615.db2.gz IMSNACUCXNUBSS-UHFFFAOYSA-N -1 3 385.823 3.026 20 0 GGADHM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc([O-])ccc1Br ZINC000128237173 564612375 /nfs/dbraw/zinc/61/23/75/564612375.db2.gz JADPSODBNXQVRK-MRXNPFEDSA-N -1 3 379.254 3.029 20 0 GGADHM O=C(COc1ccc(I)cc1)Nc1cccc([O-])c1F ZINC000128264541 564613204 /nfs/dbraw/zinc/61/32/04/564613204.db2.gz PZWSGOXNGODNNA-UHFFFAOYSA-N -1 3 387.148 3.153 20 0 GGADHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1[O-] ZINC000055249600 564617790 /nfs/dbraw/zinc/61/77/90/564617790.db2.gz WZAUVBQJMAOXRB-UHFFFAOYSA-N -1 3 395.228 3.443 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c1 ZINC000055259713 564618032 /nfs/dbraw/zinc/61/80/32/564618032.db2.gz KXNVAHFQQDKAPH-LLVKDONJSA-N -1 3 391.265 3.474 20 0 GGADHM COc1ccc(Br)c(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055288656 564618930 /nfs/dbraw/zinc/61/89/30/564618930.db2.gz JEJNCHYFDZZITM-UHFFFAOYSA-N -1 3 393.237 3.052 20 0 GGADHM O=C(Cc1nc(=O)c2c([n-]1)sc1c2CCSC1)Nc1ccc(F)cc1 ZINC000055503773 564622433 /nfs/dbraw/zinc/62/24/33/564622433.db2.gz LBLVUEKJMSKPPH-UHFFFAOYSA-N -1 3 375.450 3.094 20 0 GGADHM C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000055502741 564622691 /nfs/dbraw/zinc/62/26/91/564622691.db2.gz UHIYIPAGEQAFJE-ZYHUDNBSSA-N -1 3 377.535 3.260 20 0 GGADHM C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000055502740 564622758 /nfs/dbraw/zinc/62/27/58/564622758.db2.gz UHIYIPAGEQAFJE-JQWIXIFHSA-N -1 3 377.535 3.260 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1[O-] ZINC000055547781 564623236 /nfs/dbraw/zinc/62/32/36/564623236.db2.gz NSUGCWGJLMYQBP-UHFFFAOYSA-N -1 3 376.217 3.286 20 0 GGADHM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000055549434 564623552 /nfs/dbraw/zinc/62/35/52/564623552.db2.gz PEUJMMNJIAJQRP-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(Br)c1 ZINC000055558070 564624499 /nfs/dbraw/zinc/62/44/99/564624499.db2.gz WXDRXGSWXFTAMW-UHFFFAOYSA-N -1 3 397.294 3.260 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCc3ccc(Cl)cc3C2)ccc1F ZINC000128670299 564625363 /nfs/dbraw/zinc/62/53/63/564625363.db2.gz CVMGKRRRWXLDIA-UHFFFAOYSA-N -1 3 382.844 3.049 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000055620433 564626322 /nfs/dbraw/zinc/62/63/22/564626322.db2.gz YZIKQVDBIBQTJR-UHFFFAOYSA-N -1 3 378.881 3.379 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000055620542 564626558 /nfs/dbraw/zinc/62/65/58/564626558.db2.gz GCAWRKFGLUMIAA-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000055619251 564626607 /nfs/dbraw/zinc/62/66/07/564626607.db2.gz IKWLFEMKBKKDSU-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc(F)cc3Br)nc12 ZINC000128786896 564630591 /nfs/dbraw/zinc/63/05/91/564630591.db2.gz AVUMSISANUPFGP-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC000129018638 564635601 /nfs/dbraw/zinc/63/56/01/564635601.db2.gz GCJKBNUNAJTTOQ-CQSZACIVSA-N -1 3 395.228 3.500 20 0 GGADHM O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cccc([O-])c1F ZINC000129034132 564637084 /nfs/dbraw/zinc/63/70/84/564637084.db2.gz HLAZJDSFKFNXIV-UHFFFAOYSA-N -1 3 377.422 3.483 20 0 GGADHM O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1cccc([O-])c1F ZINC000129099780 564637912 /nfs/dbraw/zinc/63/79/12/564637912.db2.gz KWCZNFPZJDLPBU-UHFFFAOYSA-N -1 3 399.191 3.192 20 0 GGADHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000056062196 564638278 /nfs/dbraw/zinc/63/82/78/564638278.db2.gz CDQMHJMDZOPREI-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccc(Cl)s1 ZINC000056044191 564638436 /nfs/dbraw/zinc/63/84/36/564638436.db2.gz UZKPDIIGLPMWMV-QMMMGPOBSA-N -1 3 388.873 3.465 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1ccc(F)cc1Br ZINC000056040971 564638941 /nfs/dbraw/zinc/63/89/41/564638941.db2.gz FWLODTBZUXSDKP-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1F ZINC000056064393 564639185 /nfs/dbraw/zinc/63/91/85/564639185.db2.gz MVIRKCHTYPTOPW-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1ccc(Cl)cc1F ZINC000056071165 564639434 /nfs/dbraw/zinc/63/94/34/564639434.db2.gz MGXPUHJRMCNTGE-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM O=S(=O)([N-][C@H](C1CCCC1)C(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000129151332 564639602 /nfs/dbraw/zinc/63/96/02/564639602.db2.gz MLEDARIYNYWHEM-OAHLLOKOSA-N -1 3 379.400 3.247 20 0 GGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129149812 564639670 /nfs/dbraw/zinc/63/96/70/564639670.db2.gz XBKURZSQJMJKQY-HNNXBMFYSA-N -1 3 378.416 3.069 20 0 GGADHM CCNC(=O)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000056066216 564639822 /nfs/dbraw/zinc/63/98/22/564639822.db2.gz OZQIJRBZRJEOMT-UHFFFAOYSA-N -1 3 387.288 3.222 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1OC ZINC000056118774 564641922 /nfs/dbraw/zinc/64/19/22/564641922.db2.gz KWNULSYWRQKJJS-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC ZINC000056118744 564642001 /nfs/dbraw/zinc/64/20/01/564642001.db2.gz ZFZJPFYTOPQBAZ-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM CCCCOc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000056145901 564643136 /nfs/dbraw/zinc/64/31/36/564643136.db2.gz RSYQRKFTIUJJCH-ZDUSSCGKSA-N -1 3 382.507 3.233 20 0 GGADHM Cc1oc(C(=O)[N-]c2ccccc2SCC(F)(F)F)cc1S(N)(=O)=O ZINC000129300288 564644450 /nfs/dbraw/zinc/64/44/50/564644450.db2.gz DBBSRLIDFNKZLJ-UHFFFAOYSA-N -1 3 394.396 3.142 20 0 GGADHM CC[C@H](C)Oc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056302236 564645591 /nfs/dbraw/zinc/64/55/91/564645591.db2.gz IKXXZNMOZGOKRK-QWHCGFSZSA-N -1 3 382.507 3.231 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000056379025 564647493 /nfs/dbraw/zinc/64/74/93/564647493.db2.gz TWZUTDOVPQPZTD-GFCCVEGCSA-N -1 3 398.937 3.264 20 0 GGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000056409745 564647856 /nfs/dbraw/zinc/64/78/56/564647856.db2.gz IPJAEYBLMIKEMR-LBPRGKRZSA-N -1 3 382.869 3.426 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000056409818 564648035 /nfs/dbraw/zinc/64/80/35/564648035.db2.gz YLMOLPDLNPRDBQ-GFCCVEGCSA-N -1 3 380.491 3.186 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccccc1Br ZINC000056409789 564648440 /nfs/dbraw/zinc/64/84/40/564648440.db2.gz DYNRIYJUKPZTTR-UHFFFAOYSA-N -1 3 397.294 3.392 20 0 GGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000129479989 564650134 /nfs/dbraw/zinc/65/01/34/564650134.db2.gz FTFABANGSAOIIZ-UHFFFAOYSA-N -1 3 379.400 3.106 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C)cc2Br)ccc1C ZINC000129489608 564650245 /nfs/dbraw/zinc/65/02/45/564650245.db2.gz HKGMRYKBUINYMC-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000129482222 564650634 /nfs/dbraw/zinc/65/06/34/564650634.db2.gz VXTJWBJWEFVPMT-UHFFFAOYSA-N -1 3 380.293 3.394 20 0 GGADHM Cc1cnc([N-]C(=O)c2sccc2S(=O)(=O)NCc2cccs2)s1 ZINC000129669662 564655949 /nfs/dbraw/zinc/65/59/49/564655949.db2.gz JSJQHUNEUAEOFR-UHFFFAOYSA-N -1 3 399.544 3.305 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)s1 ZINC000057019633 564657005 /nfs/dbraw/zinc/65/70/05/564657005.db2.gz NQMSVDQEKKBNJC-ZUZCIYMTSA-N -1 3 382.482 3.050 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)s1 ZINC000057021622 564657094 /nfs/dbraw/zinc/65/70/94/564657094.db2.gz VYEOXKMWNMZBRZ-INIZCTEOSA-N -1 3 398.937 3.046 20 0 GGADHM CSc1ccc([C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000057035649 564657881 /nfs/dbraw/zinc/65/78/81/564657881.db2.gz DPZUEEQYPTVNLG-NWDGAFQWSA-N -1 3 384.548 3.014 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc(F)c(Br)cc2F)cs1 ZINC000129719280 564658045 /nfs/dbraw/zinc/65/80/45/564658045.db2.gz UGEYEXDHGNQZNR-UHFFFAOYSA-N -1 3 396.234 3.445 20 0 GGADHM CCOc1ccc(C2(C[N-]S(=O)(=O)c3cccs3)CCOCC2)cc1 ZINC000057023000 564658141 /nfs/dbraw/zinc/65/81/41/564658141.db2.gz PVEAAOBSWWOZBY-UHFFFAOYSA-N -1 3 381.519 3.174 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(F)cc1Cl ZINC000057101862 564659725 /nfs/dbraw/zinc/65/97/25/564659725.db2.gz AFYREJQKUVNENM-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM CC[C@@H]1CCc2nc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000057178825 564662567 /nfs/dbraw/zinc/66/25/67/564662567.db2.gz HDAPLCSBGGDNIN-LLVKDONJSA-N -1 3 399.563 3.027 20 0 GGADHM Cc1cccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c1Cl ZINC000129874480 564663209 /nfs/dbraw/zinc/66/32/09/564663209.db2.gz LVPQOECQHXTAHN-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(O)cc1 ZINC000057559828 564670067 /nfs/dbraw/zinc/67/00/67/564670067.db2.gz BFEDRICTGSGFAG-UHFFFAOYSA-N -1 3 389.260 3.006 20 0 GGADHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000057692502 564672677 /nfs/dbraw/zinc/67/26/77/564672677.db2.gz ZHNPYEFKZOAUFU-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM Cc1csc([N-]C(=O)c2sccc2S(=O)(=O)NCc2cccs2)n1 ZINC000130288166 564676219 /nfs/dbraw/zinc/67/62/19/564676219.db2.gz NHIKFNCNPPQUNI-UHFFFAOYSA-N -1 3 399.544 3.305 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCC1)c1ccc(F)cc1Br ZINC000057925584 564677531 /nfs/dbraw/zinc/67/75/31/564677531.db2.gz RBHHWKWRQYUUNJ-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM O=S(=O)([N-]CC1CCN(Cc2cccs2)CC1)c1cc(F)cc(F)c1 ZINC000057928633 564677725 /nfs/dbraw/zinc/67/77/25/564677725.db2.gz KUHUSKZOTRMUNT-UHFFFAOYSA-N -1 3 386.489 3.217 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cc(F)ccc3Br)cc12 ZINC000130506505 564683797 /nfs/dbraw/zinc/68/37/97/564683797.db2.gz FBRUXMJPTHRLCS-UHFFFAOYSA-N -1 3 386.202 3.234 20 0 GGADHM CCOc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000058477448 564684544 /nfs/dbraw/zinc/68/45/44/564684544.db2.gz SAMVGQMGONBOOS-JTQLQIEISA-N -1 3 388.898 3.106 20 0 GGADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000058562760 564685624 /nfs/dbraw/zinc/68/56/24/564685624.db2.gz RCCWUBDKIZAEKP-WDEREUQCSA-N -1 3 382.345 3.384 20 0 GGADHM CCCOc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000058553295 564685713 /nfs/dbraw/zinc/68/57/13/564685713.db2.gz VAJGWNCTVRKTQF-UHFFFAOYSA-N -1 3 388.898 3.107 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccnc1OCC(F)F ZINC000130572941 564685857 /nfs/dbraw/zinc/68/58/57/564685857.db2.gz MKGHXHWZWGPTFH-UHFFFAOYSA-N -1 3 387.180 3.124 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130623774 564686714 /nfs/dbraw/zinc/68/67/14/564686714.db2.gz XJXLFAJSWGSYNU-ONGXEEELSA-N -1 3 383.363 3.012 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]nn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000130772347 564691913 /nfs/dbraw/zinc/69/19/13/564691913.db2.gz RMRKSBUPMXZLBA-MRVPVSSYSA-N -1 3 378.255 3.182 20 0 GGADHM C[C@@H](NC(=O)c1cnn[n-]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000130772347 564691916 /nfs/dbraw/zinc/69/19/16/564691916.db2.gz RMRKSBUPMXZLBA-MRVPVSSYSA-N -1 3 378.255 3.182 20 0 GGADHM C[C@@H](NC(=O)c1cn[n-]n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000130772347 564691918 /nfs/dbraw/zinc/69/19/18/564691918.db2.gz RMRKSBUPMXZLBA-MRVPVSSYSA-N -1 3 378.255 3.182 20 0 GGADHM C[C@@H](SCCS(C)(=O)=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000059932861 564693433 /nfs/dbraw/zinc/69/34/33/564693433.db2.gz PMCSFAAJFUKZLJ-SECBINFHSA-N -1 3 384.504 3.083 20 0 GGADHM CS[C@H](C)CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000130855734 564694263 /nfs/dbraw/zinc/69/42/63/564694263.db2.gz FWDGLLXYIXSUTN-GFCCVEGCSA-N -1 3 390.596 3.231 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Nc1cccc(F)c1 ZINC000060296825 564696121 /nfs/dbraw/zinc/69/61/21/564696121.db2.gz XGNQTWPKBNZPCK-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM O=c1[n-]nc(SCCOc2ccc(Cl)cc2Cl)n1C[C@H]1CCCO1 ZINC000060384737 564697650 /nfs/dbraw/zinc/69/76/50/564697650.db2.gz KDTSEACGRNEBPP-LLVKDONJSA-N -1 3 390.292 3.228 20 0 GGADHM COc1cccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1[O-] ZINC000130970873 564697869 /nfs/dbraw/zinc/69/78/69/564697869.db2.gz VCRILBZBHDRJPH-MRXNPFEDSA-N -1 3 392.249 3.377 20 0 GGADHM COCCOc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000060510129 564699040 /nfs/dbraw/zinc/69/90/40/564699040.db2.gz QUVILSXIONXRBG-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM CCCCN(CCCC)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000060657972 564701357 /nfs/dbraw/zinc/70/13/57/564701357.db2.gz DIJJJPLPIRJWLW-UHFFFAOYSA-N -1 3 376.469 3.062 20 0 GGADHM O=C(NCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000131119577 564701594 /nfs/dbraw/zinc/70/15/94/564701594.db2.gz GAQHFPSKTUFKDI-UHFFFAOYSA-N -1 3 393.317 3.153 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1F ZINC000131126883 564701662 /nfs/dbraw/zinc/70/16/62/564701662.db2.gz PMABMMRWWVPSJK-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H](C)Cn2cccn2)c1Cl ZINC000060843963 564702323 /nfs/dbraw/zinc/70/23/23/564702323.db2.gz XHSKFVXRMZYYCR-JTQLQIEISA-N -1 3 376.309 3.421 20 0 GGADHM C[C@H]1CCC[C@@H](CC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000131142981 564702633 /nfs/dbraw/zinc/70/26/33/564702633.db2.gz ROHPHHABEBDQEN-LSDHHAIUSA-N -1 3 384.567 3.234 20 0 GGADHM C[C@@H]1CCC[C@@H](CC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000131142756 564702680 /nfs/dbraw/zinc/70/26/80/564702680.db2.gz ROHPHHABEBDQEN-HUUCEWRRSA-N -1 3 384.567 3.234 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Br)c[nH]3)c2)n1 ZINC000061968381 564710575 /nfs/dbraw/zinc/71/05/75/564710575.db2.gz DGSUKCZJSOGHRL-UHFFFAOYSA-N -1 3 387.237 3.342 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000062574024 564712224 /nfs/dbraw/zinc/71/22/24/564712224.db2.gz KTNPTWDDEDVUEK-CQSZACIVSA-N -1 3 380.897 3.153 20 0 GGADHM COc1cc(S(=O)(=O)[N-]c2cccc(O)c2F)ccc1Br ZINC000131535402 564714338 /nfs/dbraw/zinc/71/43/38/564714338.db2.gz LNKPAMBIZDUHEY-UHFFFAOYSA-N -1 3 376.203 3.103 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2csc(CC(C)C)n2)s1 ZINC000063569174 564719088 /nfs/dbraw/zinc/71/90/88/564719088.db2.gz AOMGEKRQFSMLSU-UHFFFAOYSA-N -1 3 386.524 3.101 20 0 GGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000063629331 564719492 /nfs/dbraw/zinc/71/94/92/564719492.db2.gz ORUQJSJLJTXMPY-UHFFFAOYSA-N -1 3 391.312 3.173 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)c(Cl)c1 ZINC000063766130 564722284 /nfs/dbraw/zinc/72/22/84/564722284.db2.gz NEOLNBJJJKWKDM-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000131729480 564722639 /nfs/dbraw/zinc/72/26/39/564722639.db2.gz XGNHBMGFBYWMJN-CYBMUJFWSA-N -1 3 384.288 3.457 20 0 GGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000063803344 564723499 /nfs/dbraw/zinc/72/34/99/564723499.db2.gz MRNAGONDBRACBA-UHFFFAOYSA-N -1 3 382.869 3.165 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131788431 564723966 /nfs/dbraw/zinc/72/39/66/564723966.db2.gz GFPXZEQTKWXBSL-UHFFFAOYSA-N -1 3 397.287 3.362 20 0 GGADHM COc1ccc(CN(C)Cc2nc3ccsc3c(=O)[n-]2)cc1Br ZINC000131858734 564725833 /nfs/dbraw/zinc/72/58/33/564725833.db2.gz UVIKOUNZJIMSCF-UHFFFAOYSA-N -1 3 394.294 3.388 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)CN(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131885849 564726883 /nfs/dbraw/zinc/72/68/83/564726883.db2.gz OTAMGWWWFHVPMP-UHFFFAOYSA-N -1 3 376.869 3.017 20 0 GGADHM Cc1ncsc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000064457157 564730007 /nfs/dbraw/zinc/73/00/07/564730007.db2.gz QTFLQLVUGBOMQJ-UHFFFAOYSA-N -1 3 378.255 3.106 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1F ZINC000064599514 564732478 /nfs/dbraw/zinc/73/24/78/564732478.db2.gz JZHLMSDABRKMCA-ZDUSSCGKSA-N -1 3 386.489 3.217 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccccc2SC(C)C)s1 ZINC000064798984 564734832 /nfs/dbraw/zinc/73/48/32/564734832.db2.gz AKECHRUTHLEQOJ-UHFFFAOYSA-N -1 3 384.548 3.087 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000132176336 564736277 /nfs/dbraw/zinc/73/62/77/564736277.db2.gz NQVIZIHCYDWUSO-UHFFFAOYSA-N -1 3 382.507 3.233 20 0 GGADHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OC ZINC000064938505 564736375 /nfs/dbraw/zinc/73/63/75/564736375.db2.gz UOSMZZNIZRLALM-UHFFFAOYSA-N -1 3 375.899 3.330 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000132182218 564736434 /nfs/dbraw/zinc/73/64/34/564736434.db2.gz JQZFGTNAAKJPAB-GFCCVEGCSA-N -1 3 382.507 3.231 20 0 GGADHM CC(C)CCOc1cccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000064879934 564736516 /nfs/dbraw/zinc/73/65/16/564736516.db2.gz MJIHFPPWZVHUMR-UHFFFAOYSA-N -1 3 382.507 3.090 20 0 GGADHM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000132258069 564737389 /nfs/dbraw/zinc/73/73/89/564737389.db2.gz LJCNSKOBSVWEIE-LLVKDONJSA-N -1 3 391.269 3.170 20 0 GGADHM CCc1cccc(C)c1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132307260 564739250 /nfs/dbraw/zinc/73/92/50/564739250.db2.gz CVLKIFIPFNAJJV-UHFFFAOYSA-N -1 3 391.265 3.280 20 0 GGADHM Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c(Cl)c1 ZINC000132317215 564739464 /nfs/dbraw/zinc/73/94/64/564739464.db2.gz TVOISNZUSJXINF-UHFFFAOYSA-N -1 3 397.656 3.371 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132317666 564739474 /nfs/dbraw/zinc/73/94/74/564739474.db2.gz NNKKEYCEDPNNRT-UHFFFAOYSA-N -1 3 397.656 3.371 20 0 GGADHM NC(=O)Cc1ccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cc1 ZINC000065107362 564739443 /nfs/dbraw/zinc/73/94/43/564739443.db2.gz HCIZIGUHPYLAGK-UHFFFAOYSA-N -1 3 399.248 3.119 20 0 GGADHM NC(=O)Cc1ccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cc1 ZINC000065107362 564739447 /nfs/dbraw/zinc/73/94/47/564739447.db2.gz HCIZIGUHPYLAGK-UHFFFAOYSA-N -1 3 399.248 3.119 20 0 GGADHM O=C(N=c1[nH]c2ccccc2[nH]1)c1[n-]nc(-c2ccccc2)c1Br ZINC000065105659 564739527 /nfs/dbraw/zinc/73/95/27/564739527.db2.gz IXCHFZVTVCFRAN-UHFFFAOYSA-N -1 3 382.221 3.390 20 0 GGADHM O=C(N=c1[nH]c2ccccc2[nH]1)c1n[n-]c(-c2ccccc2)c1Br ZINC000065105659 564739532 /nfs/dbraw/zinc/73/95/32/564739532.db2.gz IXCHFZVTVCFRAN-UHFFFAOYSA-N -1 3 382.221 3.390 20 0 GGADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1cccc(F)c1 ZINC000132328912 564740425 /nfs/dbraw/zinc/74/04/25/564740425.db2.gz UBDVRBHGWKARAN-UHFFFAOYSA-N -1 3 380.510 3.218 20 0 GGADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1ccc(F)cc1 ZINC000132325994 564740915 /nfs/dbraw/zinc/74/09/15/564740915.db2.gz UCTGXSLVDRMISB-UHFFFAOYSA-N -1 3 380.510 3.218 20 0 GGADHM O=S(=O)([N-]CCc1cc(Br)ccc1F)c1ccc(F)c(F)c1 ZINC000065277807 564742143 /nfs/dbraw/zinc/74/21/43/564742143.db2.gz CNNVVHHBHYBNTK-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM O=C(CCCOc1ccc(I)cc1)Nc1ncccc1[O-] ZINC000065624551 564745910 /nfs/dbraw/zinc/74/59/10/564745910.db2.gz XNGOCKLASRUFRX-UHFFFAOYSA-N -1 3 398.200 3.190 20 0 GGADHM O=C(NCc1cc(F)ccc1Br)c1c[n-]c2ccccc2c1=O ZINC000065654373 564747452 /nfs/dbraw/zinc/74/74/52/564747452.db2.gz QPPJZJPXGZMETO-UHFFFAOYSA-N -1 3 375.197 3.360 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)NC)ccc2Cl)c1 ZINC000132574874 564748000 /nfs/dbraw/zinc/74/80/00/564748000.db2.gz IYQLPUZDFJEJJC-UHFFFAOYSA-N -1 3 380.853 3.093 20 0 GGADHM O=C(NCCSc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065753367 564748245 /nfs/dbraw/zinc/74/82/45/564748245.db2.gz IGAIQKYZXPUJEL-UHFFFAOYSA-N -1 3 375.837 3.137 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCOc2ccc(Br)cc2)c1 ZINC000065971955 564752677 /nfs/dbraw/zinc/75/26/77/564752677.db2.gz CXOJEQQRGJQKBT-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000132769301 564752973 /nfs/dbraw/zinc/75/29/73/564752973.db2.gz PYSGQSIIKHAFEM-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM CCn1c(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)nc2ccccc21 ZINC000065975025 564753891 /nfs/dbraw/zinc/75/38/91/564753891.db2.gz SXGJOITZSRBDAY-UHFFFAOYSA-N -1 3 381.860 3.370 20 0 GGADHM CCn1c(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc2ccccc21 ZINC000065975070 564754130 /nfs/dbraw/zinc/75/41/30/564754130.db2.gz YYMZOYKIYBSCRJ-UHFFFAOYSA-N -1 3 381.860 3.370 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCOCC1 ZINC000132986313 564759190 /nfs/dbraw/zinc/75/91/90/564759190.db2.gz BGONLMPTLYPLDC-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM O=C(NCCCN1CCc2ccccc2C1)c1ccc(Br)c([O-])c1 ZINC000133051247 564760980 /nfs/dbraw/zinc/76/09/80/564760980.db2.gz QKSVUJXIMLKCEF-UHFFFAOYSA-N -1 3 389.293 3.333 20 0 GGADHM CCCn1c(=O)[n-]nc1S(=O)(=O)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000133102892 564762629 /nfs/dbraw/zinc/76/26/29/564762629.db2.gz GZDLCIDNCHMFRP-LBPRGKRZSA-N -1 3 376.265 3.162 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000133203169 564766799 /nfs/dbraw/zinc/76/67/99/564766799.db2.gz MDPFVHLXDMXBGZ-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cc(Cl)ccn2)ccc1F ZINC000133236815 564767407 /nfs/dbraw/zinc/76/74/07/564767407.db2.gz KIFLPCYECOVYBW-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000133272224 564768542 /nfs/dbraw/zinc/76/85/42/564768542.db2.gz HRELDDBJGJCONF-SNVBAGLBSA-N -1 3 396.228 3.147 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 ZINC000133296999 564769521 /nfs/dbraw/zinc/76/95/21/564769521.db2.gz LYQGWNGHDROVHN-KRWDZBQOSA-N -1 3 392.249 3.377 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000066574918 564769572 /nfs/dbraw/zinc/76/95/72/564769572.db2.gz LHCFDKUKYYEVTJ-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000133299995 564769659 /nfs/dbraw/zinc/76/96/59/564769659.db2.gz CEMHCGZEIMSVMS-QGZVFWFLSA-N -1 3 392.249 3.377 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000133330890 564770105 /nfs/dbraw/zinc/77/01/05/564770105.db2.gz PQYXGIIFGYRWOS-GFCCVEGCSA-N -1 3 391.320 3.063 20 0 GGADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000133424572 564773769 /nfs/dbraw/zinc/77/37/69/564773769.db2.gz OIBSOZFXBIBGGS-UHFFFAOYSA-N -1 3 382.707 3.137 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000066772895 564774616 /nfs/dbraw/zinc/77/46/16/564774616.db2.gz ZOVJWRPXSOIYBE-LLVKDONJSA-N -1 3 386.926 3.120 20 0 GGADHM Cc1cccc(N2CCC(NC(=O)c3ccc(Br)c([O-])c3)CC2)n1 ZINC000133474151 564775043 /nfs/dbraw/zinc/77/50/43/564775043.db2.gz CCBCGAIHVJNAGY-UHFFFAOYSA-N -1 3 390.281 3.257 20 0 GGADHM O=c1[n-]c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nc2ccsc21 ZINC000066845432 564776734 /nfs/dbraw/zinc/77/67/34/564776734.db2.gz YVHARKAYRSIMTP-AWEZNQCLSA-N -1 3 379.844 3.351 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)cn1C ZINC000133569757 564778649 /nfs/dbraw/zinc/77/86/49/564778649.db2.gz VBWYFAKDEZYDLB-UHFFFAOYSA-N -1 3 377.249 3.228 20 0 GGADHM COc1ccc(COCCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000066920452 564778668 /nfs/dbraw/zinc/77/86/68/564778668.db2.gz VLJZZXYQGABLLP-UHFFFAOYSA-N -1 3 375.899 3.295 20 0 GGADHM C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000133728723 564784087 /nfs/dbraw/zinc/78/40/87/564784087.db2.gz KTAIGTLBRSAHKG-NSHDSACASA-N -1 3 399.925 3.013 20 0 GGADHM C[C@@H]1Cc2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc2N1S(C)(=O)=O ZINC000067138945 564785038 /nfs/dbraw/zinc/78/50/38/564785038.db2.gz HDENXXHNXUFBAD-SNVBAGLBSA-N -1 3 380.853 3.009 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1C1CC1 ZINC000133958594 564790029 /nfs/dbraw/zinc/79/00/29/564790029.db2.gz XRWVGITUBOTVLU-UHFFFAOYSA-N -1 3 394.806 3.072 20 0 GGADHM COc1ccc(-c2nc(Sc3ncc(Br)cn3)n[n-]2)c(OC)c1 ZINC000067369843 564790935 /nfs/dbraw/zinc/79/09/35/564790935.db2.gz GKOUGFYIKKRLER-UHFFFAOYSA-N -1 3 394.254 3.193 20 0 GGADHM O=c1nc(CN2CCC[C@H](O)C2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000067472391 564793190 /nfs/dbraw/zinc/79/31/90/564793190.db2.gz WXWOTZJHULRASB-NSHDSACASA-N -1 3 375.881 3.262 20 0 GGADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1sccc1-n1cnnn1 ZINC000134258994 564798355 /nfs/dbraw/zinc/79/83/55/564798355.db2.gz PDAZFHYXDLESNR-UHFFFAOYSA-N -1 3 389.853 3.148 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000067879953 564801574 /nfs/dbraw/zinc/80/15/74/564801574.db2.gz AWCUGCMZAQMEOJ-VIFPVBQESA-N -1 3 378.372 3.272 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCCCc2ccccc2)s1 ZINC000067951324 564803950 /nfs/dbraw/zinc/80/39/50/564803950.db2.gz LRJBIPKVZVAXMJ-UHFFFAOYSA-N -1 3 380.535 3.076 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3csc(C(C)(C)C)n3)nc(=O)c2c1C ZINC000134472742 564804584 /nfs/dbraw/zinc/80/45/84/564804584.db2.gz GLQMVWQOPBWZQB-UHFFFAOYSA-N -1 3 377.491 3.424 20 0 GGADHM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(F)c2)CC1 ZINC000068038652 564806911 /nfs/dbraw/zinc/80/69/11/564806911.db2.gz QIDYGUNESUSVBC-UHFFFAOYSA-N -1 3 383.876 3.032 20 0 GGADHM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1F ZINC000134600703 564809408 /nfs/dbraw/zinc/80/94/08/564809408.db2.gz HEYHGNRPUDMDOP-UHFFFAOYSA-N -1 3 386.470 3.087 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(C)cc1Br ZINC000134663335 564811123 /nfs/dbraw/zinc/81/11/23/564811123.db2.gz UEXPGASXQSFYNR-UHFFFAOYSA-N -1 3 388.258 3.498 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2CCC(C)C)s1 ZINC000134715240 564813759 /nfs/dbraw/zinc/81/37/59/564813759.db2.gz XVZAYWNVAWBXND-CQSZACIVSA-N -1 3 387.571 3.157 20 0 GGADHM CCCOc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000068383701 564816451 /nfs/dbraw/zinc/81/64/51/564816451.db2.gz KCSHCHQEBADYOH-CYBMUJFWSA-N -1 3 382.507 3.151 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000068382938 564816555 /nfs/dbraw/zinc/81/65/55/564816555.db2.gz RTHLPUDVGWCVPH-RYUDHWBXSA-N -1 3 386.926 3.288 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000068383245 564817071 /nfs/dbraw/zinc/81/70/71/564817071.db2.gz SVKHFRKIUCJNSJ-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccc(C)cc2C)s1 ZINC000068462712 564820082 /nfs/dbraw/zinc/82/00/82/564820082.db2.gz PARFMZZLBFWZCT-AWEZNQCLSA-N -1 3 380.535 3.083 20 0 GGADHM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000135333279 564829238 /nfs/dbraw/zinc/82/92/38/564829238.db2.gz HKMDEOQJIQSHRR-UHFFFAOYSA-N -1 3 386.470 3.121 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCCC[C@@H]1C ZINC000068970195 564830594 /nfs/dbraw/zinc/83/05/94/564830594.db2.gz WIKJGGNKXMTIHN-WDEREUQCSA-N -1 3 379.309 3.061 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)s1 ZINC000069093663 564832629 /nfs/dbraw/zinc/83/26/29/564832629.db2.gz NVCAAEFKZBEAAT-AWEZNQCLSA-N -1 3 380.535 3.349 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)cc2)s1 ZINC000069093599 564832748 /nfs/dbraw/zinc/83/27/48/564832748.db2.gz TZJSQHZRRJNVCH-UHFFFAOYSA-N -1 3 380.535 3.160 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCC(C)C)s1 ZINC000069161928 564834092 /nfs/dbraw/zinc/83/40/92/564834092.db2.gz PCNVSMBXINJXDV-RDJZCZTQSA-N -1 3 386.583 3.310 20 0 GGADHM Cc1nn(C)cc1[C@@H](C)NC(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000069334090 564837789 /nfs/dbraw/zinc/83/77/89/564837789.db2.gz CZLFZLRMTNMKMR-SSDOTTSWSA-N -1 3 376.770 3.183 20 0 GGADHM Cc1nn(C)cc1[C@H](C)NC(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000069334096 564838294 /nfs/dbraw/zinc/83/82/94/564838294.db2.gz CZLFZLRMTNMKMR-ZETCQYMHSA-N -1 3 376.770 3.183 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CCC(C)C)s1 ZINC000069363931 564838854 /nfs/dbraw/zinc/83/88/54/564838854.db2.gz FCJVGXINZFLECL-DZGCQCFKSA-N -1 3 387.571 3.060 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1ccc(Br)cc1Cl ZINC000136016207 564843811 /nfs/dbraw/zinc/84/38/11/564843811.db2.gz RXFJTHRIHKSUOZ-VXGBXAGGSA-N -1 3 382.707 3.074 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(C)C ZINC000069790287 564844856 /nfs/dbraw/zinc/84/48/56/564844856.db2.gz MOHUCGIXRDUDKJ-RHSMWYFYSA-N -1 3 380.535 3.237 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(C)C ZINC000069790288 564844886 /nfs/dbraw/zinc/84/48/86/564844886.db2.gz MOHUCGIXRDUDKJ-PBHICJAKSA-N -1 3 380.535 3.237 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)s1 ZINC000069870494 564846384 /nfs/dbraw/zinc/84/63/84/564846384.db2.gz CKFUHWDUEQHNQO-UHFFFAOYSA-N -1 3 384.910 3.005 20 0 GGADHM CC[C@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000070715270 564850198 /nfs/dbraw/zinc/85/01/98/564850198.db2.gz GOOFGSHOFIQJNO-LBPRGKRZSA-N -1 3 393.336 3.453 20 0 GGADHM CCOC(=O)c1csc(Cc2nc(=O)c3c4c(sc3[n-]2)SCCC4)n1 ZINC000070694348 564850570 /nfs/dbraw/zinc/85/05/70/564850570.db2.gz JUAODSVQUOLXFV-UHFFFAOYSA-N -1 3 393.515 3.247 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000070878360 564853030 /nfs/dbraw/zinc/85/30/30/564853030.db2.gz KIASUQYERFYSJE-UHFFFAOYSA-N -1 3 386.267 3.278 20 0 GGADHM COc1ccc(Br)c(CN(C)Cc2nc3ccsc3c(=O)[n-]2)c1 ZINC000137019277 564857490 /nfs/dbraw/zinc/85/74/90/564857490.db2.gz JCYCPKCCBQERLK-UHFFFAOYSA-N -1 3 394.294 3.388 20 0 GGADHM COCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000072089099 564861797 /nfs/dbraw/zinc/86/17/97/564861797.db2.gz CSTUCTBUJHOSHP-UHFFFAOYSA-N -1 3 382.869 3.424 20 0 GGADHM C[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1c(Cl)cccc1Cl ZINC000078549690 564863746 /nfs/dbraw/zinc/86/37/46/564863746.db2.gz KAWQUDCILSNMIR-SECBINFHSA-N -1 3 377.227 3.411 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078549619 564864061 /nfs/dbraw/zinc/86/40/61/564864061.db2.gz GYDPYLIMBBUNKO-SECBINFHSA-N -1 3 377.227 3.238 20 0 GGADHM C[C@@H]1CC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000138210601 564865022 /nfs/dbraw/zinc/86/50/22/564865022.db2.gz DRZKBBJYQZZSAI-PHIMTYICSA-N -1 3 379.309 3.061 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccccc1 ZINC000079305932 564866850 /nfs/dbraw/zinc/86/68/50/564866850.db2.gz DNHPLCHWZNREGH-SNVBAGLBSA-N -1 3 376.297 3.256 20 0 GGADHM Cc1cc2cccnc2c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000091792643 564872892 /nfs/dbraw/zinc/87/28/92/564872892.db2.gz GHEJZXKFJSHUFY-UHFFFAOYSA-N -1 3 395.893 3.175 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cnc(-c2ccccc2)s1 ZINC000091773923 564872956 /nfs/dbraw/zinc/87/29/56/564872956.db2.gz ZTXHZTQCVDIXIM-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM Cc1noc(C)c1CN1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000091891102 564873735 /nfs/dbraw/zinc/87/37/35/564873735.db2.gz LRYDBCKIUGZKBQ-UHFFFAOYSA-N -1 3 380.286 3.077 20 0 GGADHM CC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000141776832 564874107 /nfs/dbraw/zinc/87/41/07/564874107.db2.gz VNEXDTGYHFVSIQ-RISCZKNCSA-N -1 3 386.926 3.336 20 0 GGADHM O=C(CC1CCN(Cc2cc([O-])ccc2Br)CC1)N1CCCC1 ZINC000092056849 564874234 /nfs/dbraw/zinc/87/42/34/564874234.db2.gz NPUYVPVRYZNSBY-UHFFFAOYSA-N -1 3 381.314 3.379 20 0 GGADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)n[n-]1 ZINC000530268986 564874243 /nfs/dbraw/zinc/87/42/43/564874243.db2.gz YUYCJJBRGPLKIR-VHSXEESVSA-N -1 3 392.282 3.376 20 0 GGADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)[n-]n1 ZINC000530268986 564874245 /nfs/dbraw/zinc/87/42/45/564874245.db2.gz YUYCJJBRGPLKIR-VHSXEESVSA-N -1 3 392.282 3.376 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000141943718 564874295 /nfs/dbraw/zinc/87/42/95/564874295.db2.gz VYAIMQQZSJTKLB-CZUORRHYSA-N -1 3 380.535 3.319 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000141777223 564874306 /nfs/dbraw/zinc/87/43/06/564874306.db2.gz VNEXDTGYHFVSIQ-FZMZJTMJSA-N -1 3 386.926 3.336 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000141873386 564874326 /nfs/dbraw/zinc/87/43/26/564874326.db2.gz QVJKMOJLQNOMQL-IUODEOHRSA-N -1 3 398.937 3.432 20 0 GGADHM Cc1cc(OC(C)C)ccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142027677 564874340 /nfs/dbraw/zinc/87/43/40/564874340.db2.gz CAIXAKYOJLPNGD-CYBMUJFWSA-N -1 3 382.507 3.149 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccncc1 ZINC000092263998 564875993 /nfs/dbraw/zinc/87/59/93/564875993.db2.gz WPLLLIUNLYSDEM-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)sc1Br ZINC000092263548 564876092 /nfs/dbraw/zinc/87/60/92/564876092.db2.gz PBWIMWAJXSXEMN-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(F)cc1Cl ZINC000147388676 564883088 /nfs/dbraw/zinc/88/30/88/564883088.db2.gz GZJKAKRJJJMVTI-UHFFFAOYSA-N -1 3 383.807 3.282 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000149522043 564885709 /nfs/dbraw/zinc/88/57/09/564885709.db2.gz VAJAQRUFKYSYDK-IUCAKERBSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000149522043 564885711 /nfs/dbraw/zinc/88/57/11/564885711.db2.gz VAJAQRUFKYSYDK-IUCAKERBSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000149522643 564886124 /nfs/dbraw/zinc/88/61/24/564886124.db2.gz VAJAQRUFKYSYDK-RKDXNWHRSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000149522643 564886129 /nfs/dbraw/zinc/88/61/29/564886129.db2.gz VAJAQRUFKYSYDK-RKDXNWHRSA-N -1 3 375.148 3.328 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(C(C)(C)C)CC2)sc1Br ZINC000150120146 564887389 /nfs/dbraw/zinc/88/73/89/564887389.db2.gz PTUARRFESQHJHC-UHFFFAOYSA-N -1 3 395.388 3.360 20 0 GGADHM CC[C@](C)(NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1nc(C)cs1 ZINC000150740398 564889189 /nfs/dbraw/zinc/88/91/89/564889189.db2.gz SEXGQJKPNQRIEJ-INIZCTEOSA-N -1 3 385.486 3.017 20 0 GGADHM O=C(Nc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1)c1cccs1 ZINC000150840151 564893209 /nfs/dbraw/zinc/89/32/09/564893209.db2.gz GUTZCNYFRIVCKT-HNNXBMFYSA-N -1 3 380.491 3.311 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCC(C)(C)C)cc1F ZINC000093916959 564893670 /nfs/dbraw/zinc/89/36/70/564893670.db2.gz UJCDEKICPULGIL-GFCCVEGCSA-N -1 3 394.534 3.080 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2Br)c1 ZINC000150863746 564894821 /nfs/dbraw/zinc/89/48/21/564894821.db2.gz MKCNJCAZPWXQAE-NSHDSACASA-N -1 3 391.265 3.474 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000150887952 564895553 /nfs/dbraw/zinc/89/55/53/564895553.db2.gz QWFDIRFIDXBMDA-CQSZACIVSA-N -1 3 380.897 3.310 20 0 GGADHM COc1cc2[nH]c(CCC[N-]S(=O)(=O)c3cccs3)cc2c(OC)c1 ZINC000150897166 564896465 /nfs/dbraw/zinc/89/64/65/564896465.db2.gz LZJNWYUJRKYYLQ-UHFFFAOYSA-N -1 3 380.491 3.158 20 0 GGADHM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000150934534 564897600 /nfs/dbraw/zinc/89/76/00/564897600.db2.gz NINZMVFWPRNQKY-GWCFXTLKSA-N -1 3 375.899 3.027 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)c[nH]1 ZINC000150947101 564898321 /nfs/dbraw/zinc/89/83/21/564898321.db2.gz AICBLLKVWFJYIH-UHFFFAOYSA-N -1 3 376.507 3.178 20 0 GGADHM C[C@@H](C1CC1)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000150987562 564900765 /nfs/dbraw/zinc/90/07/65/564900765.db2.gz QEZMZANZROABLH-VIFPVBQESA-N -1 3 396.228 3.003 20 0 GGADHM CC(C)c1nc(C(=O)[N-]c2ncnn2C)nn1-c1c(Cl)cccc1Cl ZINC000151038714 564902370 /nfs/dbraw/zinc/90/23/70/564902370.db2.gz PROPTXOVNCDVAC-UHFFFAOYSA-N -1 3 380.239 3.078 20 0 GGADHM O=C(NCCOCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151065668 564903380 /nfs/dbraw/zinc/90/33/80/564903380.db2.gz JRLIAEZULQCCHI-UHFFFAOYSA-N -1 3 379.254 3.171 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Br)c[nH]c1=O ZINC000096760840 564903358 /nfs/dbraw/zinc/90/33/58/564903358.db2.gz IQEAKTBTTSBOKL-UHFFFAOYSA-N -1 3 393.646 3.013 20 0 GGADHM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000096760672 564903393 /nfs/dbraw/zinc/90/33/93/564903393.db2.gz PCNCPBAZKOBPBD-UHFFFAOYSA-N -1 3 398.065 3.245 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(C2CC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000096996969 564904325 /nfs/dbraw/zinc/90/43/25/564904325.db2.gz QUQUTKQZRJKAHN-SECBINFHSA-N -1 3 383.728 3.409 20 0 GGADHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000097271895 564907414 /nfs/dbraw/zinc/90/74/14/564907414.db2.gz YLQXHHXHXKYCHR-DZGCQCFKSA-N -1 3 391.798 3.295 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@@H]1O)c1cc(C(F)(F)F)ccc1Cl ZINC000097271889 564907529 /nfs/dbraw/zinc/90/75/29/564907529.db2.gz ODVGGCSQMKMFNG-ZFWWWQNUSA-N -1 3 391.798 3.295 20 0 GGADHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@H]1O)c1cc(C(F)(F)F)ccc1Cl ZINC000097271888 564907616 /nfs/dbraw/zinc/90/76/16/564907616.db2.gz ODVGGCSQMKMFNG-UKRRQHHQSA-N -1 3 391.798 3.295 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000097542951 564908317 /nfs/dbraw/zinc/90/83/17/564908317.db2.gz IJLNNKLLLPDCJM-UHFFFAOYSA-N -1 3 387.244 3.297 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccccc2Br)cc1 ZINC000097593970 564909699 /nfs/dbraw/zinc/90/96/99/564909699.db2.gz NKOPYSGIIUGRMQ-UHFFFAOYSA-N -1 3 386.267 3.278 20 0 GGADHM C[C@H](c1ccccc1Cl)N(C(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000098101696 564912040 /nfs/dbraw/zinc/91/20/40/564912040.db2.gz OBMHCQCGFPJSNY-GFCCVEGCSA-N -1 3 398.937 3.432 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151284302 564913624 /nfs/dbraw/zinc/91/36/24/564913624.db2.gz BFLLUODLUHUYEG-CZUORRHYSA-N -1 3 385.302 3.405 20 0 GGADHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151284214 564913782 /nfs/dbraw/zinc/91/37/82/564913782.db2.gz BFLLUODLUHUYEG-BBRMVZONSA-N -1 3 385.302 3.405 20 0 GGADHM CC[C@@H](C)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151394472 564918128 /nfs/dbraw/zinc/91/81/28/564918128.db2.gz FQHNFGOFSQWRBJ-SECBINFHSA-N -1 3 384.217 3.003 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)cc1OC ZINC000101582199 564918241 /nfs/dbraw/zinc/91/82/41/564918241.db2.gz UDIXDFHZOGFOMS-UHFFFAOYSA-N -1 3 377.796 3.114 20 0 GGADHM CCOc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000151511589 564923038 /nfs/dbraw/zinc/92/30/38/564923038.db2.gz FONCDIVKAJCKMZ-UHFFFAOYSA-N -1 3 380.238 3.492 20 0 GGADHM CSc1cccc(N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000101870948 564923196 /nfs/dbraw/zinc/92/31/96/564923196.db2.gz NOQIULDFSXOSQV-UHFFFAOYSA-N -1 3 390.939 3.065 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000152771787 564971345 /nfs/dbraw/zinc/97/13/45/564971345.db2.gz LYYPTBYTNCVXBI-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CCc1c(C(=O)NCc2ccc([O-])c(Br)c2)[nH]c(C)c1C(C)=O ZINC000151519403 564924439 /nfs/dbraw/zinc/92/44/39/564924439.db2.gz IAJZQPNJVBLNKL-UHFFFAOYSA-N -1 3 379.254 3.486 20 0 GGADHM CC(C)C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCCCC1=O ZINC000151562534 564926238 /nfs/dbraw/zinc/92/62/38/564926238.db2.gz INXSRGUZVIEREF-OAHLLOKOSA-N -1 3 397.313 3.198 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccncc1Br ZINC000151559404 564926337 /nfs/dbraw/zinc/92/63/37/564926337.db2.gz RGWYPXXGEKCYDF-UHFFFAOYSA-N -1 3 386.043 3.242 20 0 GGADHM C[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151558130 564926428 /nfs/dbraw/zinc/92/64/28/564926428.db2.gz FHVCXLKEMZTLDL-ZANVPECISA-N -1 3 396.228 3.051 20 0 GGADHM C[C@H]1CCC[C@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151558284 564926481 /nfs/dbraw/zinc/92/64/81/564926481.db2.gz FHVCXLKEMZTLDL-TVQRCGJNSA-N -1 3 396.228 3.051 20 0 GGADHM CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000151565462 564927340 /nfs/dbraw/zinc/92/73/40/564927340.db2.gz CDGFECFQWZREKY-UHFFFAOYSA-N -1 3 395.253 3.206 20 0 GGADHM COc1cccc2c1OCC(C(=O)NCc1ccc([O-])c(Br)c1)=C2 ZINC000151582048 564928181 /nfs/dbraw/zinc/92/81/81/564928181.db2.gz GUAQLRDJCSJJNX-UHFFFAOYSA-N -1 3 390.233 3.256 20 0 GGADHM O=C(Cc1ccc(-n2cccn2)cc1)NCc1ccc([O-])c(Br)c1 ZINC000151589634 564928409 /nfs/dbraw/zinc/92/84/09/564928409.db2.gz MEDFNVVBFRCULY-UHFFFAOYSA-N -1 3 386.249 3.199 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151614129 564929067 /nfs/dbraw/zinc/92/90/67/564929067.db2.gz DZAXARUMNNRDJN-CYBMUJFWSA-N -1 3 397.313 3.056 20 0 GGADHM COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000151625815 564930306 /nfs/dbraw/zinc/93/03/06/564930306.db2.gz DPVARNBOOGHXMW-ZDUSSCGKSA-N -1 3 392.249 3.031 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000151636718 564931158 /nfs/dbraw/zinc/93/11/58/564931158.db2.gz BSTXVLJIJNZCSA-LBPRGKRZSA-N -1 3 393.212 3.036 20 0 GGADHM COc1ccc(OC)c(CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151638449 564931203 /nfs/dbraw/zinc/93/12/03/564931203.db2.gz IVSBNJZYAWKHGN-UHFFFAOYSA-N -1 3 380.238 3.031 20 0 GGADHM Cn1cc(CCC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000102662156 564931829 /nfs/dbraw/zinc/93/18/29/564931829.db2.gz JMIMDRWWRSKHQS-UHFFFAOYSA-N -1 3 381.807 3.003 20 0 GGADHM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000102751243 564934380 /nfs/dbraw/zinc/93/43/80/564934380.db2.gz WAIJNJFNJQMACT-LBPRGKRZSA-N -1 3 387.299 3.185 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000103058771 564942060 /nfs/dbraw/zinc/94/20/60/564942060.db2.gz PPWOLIWJYUMFCG-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000152004205 564943407 /nfs/dbraw/zinc/94/34/07/564943407.db2.gz ZDGQZKALSAPPDV-ZDUSSCGKSA-N -1 3 380.432 3.084 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(F)cc1C(F)(F)F ZINC000103151371 564943595 /nfs/dbraw/zinc/94/35/95/564943595.db2.gz ZHMVMKMPVVWCAY-UHFFFAOYSA-N -1 3 377.315 3.052 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000103153602 564943862 /nfs/dbraw/zinc/94/38/62/564943862.db2.gz MTPVJRWVDRNWQM-UHFFFAOYSA-N -1 3 378.347 3.117 20 0 GGADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1cc(F)ccc1Cl ZINC000103155004 564943885 /nfs/dbraw/zinc/94/38/85/564943885.db2.gz PDHQXILZHGFMEY-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM C[C@@H](SCCCS(C)(=O)=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000103166210 564944615 /nfs/dbraw/zinc/94/46/15/564944615.db2.gz DVLWJXOJHZTZEL-SNVBAGLBSA-N -1 3 398.531 3.474 20 0 GGADHM Cc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])cc1Cl ZINC000103190377 564944927 /nfs/dbraw/zinc/94/49/27/564944927.db2.gz CUGOGSHWJJCOTQ-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)o1 ZINC000103420737 564947876 /nfs/dbraw/zinc/94/78/76/564947876.db2.gz CUXMVLYVQWXVIH-UHFFFAOYSA-N -1 3 383.495 3.051 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N(Cc1ccsc1)c1ccccc1 ZINC000103434113 564948136 /nfs/dbraw/zinc/94/81/36/564948136.db2.gz YYXSNZSVHSMODX-UHFFFAOYSA-N -1 3 392.527 3.321 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(F)c1 ZINC000103943482 564952235 /nfs/dbraw/zinc/95/22/35/564952235.db2.gz INPBLJNCAPUYGS-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000104422203 564954829 /nfs/dbraw/zinc/95/48/29/564954829.db2.gz XYANSSCDOLMTRU-GUYCJALGSA-N -1 3 378.519 3.073 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000152317125 564955461 /nfs/dbraw/zinc/95/54/61/564955461.db2.gz ZXMPDZZEZBMGIQ-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM CCSc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000104482323 564955939 /nfs/dbraw/zinc/95/59/39/564955939.db2.gz CMLAQZJEOGFHRO-UHFFFAOYSA-N -1 3 390.939 3.431 20 0 GGADHM COc1cc(C)ccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000152428864 564958911 /nfs/dbraw/zinc/95/89/11/564958911.db2.gz LZWVQIKLMYSSEL-UHFFFAOYSA-N -1 3 379.254 3.471 20 0 GGADHM C[C@H](c1ccccc1Br)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104841905 564960413 /nfs/dbraw/zinc/96/04/13/564960413.db2.gz OLCGDYLVQRTZDI-SNVBAGLBSA-N -1 3 387.233 3.166 20 0 GGADHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000152521000 564962444 /nfs/dbraw/zinc/96/24/44/564962444.db2.gz VZKLIVLWIPGEKP-VXGBXAGGSA-N -1 3 393.336 3.309 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)CO2 ZINC000152533590 564963618 /nfs/dbraw/zinc/96/36/18/564963618.db2.gz XNXFVLSGLJAEEY-CYBMUJFWSA-N -1 3 386.242 3.309 20 0 GGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(C2CCCCC2)n1 ZINC000105525203 564967973 /nfs/dbraw/zinc/96/79/73/564967973.db2.gz IYVFNGACUOMXEA-UHFFFAOYSA-N -1 3 384.527 3.262 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2c(Cl)cccc2Cl)on1 ZINC000105713145 564972944 /nfs/dbraw/zinc/97/29/44/564972944.db2.gz PGWUIFZYTAFSSO-VIFPVBQESA-N -1 3 377.249 3.232 20 0 GGADHM COc1ccsc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000105957206 564975355 /nfs/dbraw/zinc/97/53/55/564975355.db2.gz KNKJOEWOCNMTLA-UHFFFAOYSA-N -1 3 393.266 3.411 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)CO2 ZINC000152883994 564975641 /nfs/dbraw/zinc/97/56/41/564975641.db2.gz KPFWNDRKLDUAKU-CQSZACIVSA-N -1 3 377.238 3.396 20 0 GGADHM Cc1cc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)ncn1 ZINC000533940675 564976388 /nfs/dbraw/zinc/97/63/88/564976388.db2.gz RWVKXELUUIFRCP-UHFFFAOYSA-N -1 3 394.229 3.457 20 0 GGADHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000152952227 564978252 /nfs/dbraw/zinc/97/82/52/564978252.db2.gz XLLICNFGYDBHEO-UHFFFAOYSA-N -1 3 398.278 3.427 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000152962964 564979163 /nfs/dbraw/zinc/97/91/63/564979163.db2.gz MOHNTIZEHATBAH-QMTHXVAHSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000152980945 564979785 /nfs/dbraw/zinc/97/97/85/564979785.db2.gz RLURQCNWORVPSS-FZMZJTMJSA-N -1 3 399.431 3.178 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000152980824 564979998 /nfs/dbraw/zinc/97/99/98/564979998.db2.gz RLURQCNWORVPSS-RISCZKNCSA-N -1 3 399.431 3.178 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)ccc1Cl ZINC000152986375 564980502 /nfs/dbraw/zinc/98/05/02/564980502.db2.gz WNRBFRWRLKWKLA-RISCZKNCSA-N -1 3 382.334 3.326 20 0 GGADHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000106356621 564982017 /nfs/dbraw/zinc/98/20/17/564982017.db2.gz PZGCGGDYAUZPRZ-NSHDSACASA-N -1 3 387.299 3.041 20 0 GGADHM CSc1nsc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000153066531 564983818 /nfs/dbraw/zinc/98/38/18/564983818.db2.gz LWRCEXUBJKMUHE-UHFFFAOYSA-N -1 3 375.273 3.050 20 0 GGADHM CCc1n[n-]c(S(=O)(=O)Cc2csc(Cc3ccc(Cl)cc3)n2)n1 ZINC000153105745 564985211 /nfs/dbraw/zinc/98/52/11/564985211.db2.gz WYPHITHMESPHEN-UHFFFAOYSA-N -1 3 382.898 3.042 20 0 GGADHM CCc1nnc(S(=O)(=O)Cc2csc(Cc3ccc(Cl)cc3)n2)[n-]1 ZINC000153105745 564985213 /nfs/dbraw/zinc/98/52/13/564985213.db2.gz WYPHITHMESPHEN-UHFFFAOYSA-N -1 3 382.898 3.042 20 0 GGADHM Nc1nc(C2CCCC2)ncc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000501766726 564985829 /nfs/dbraw/zinc/98/58/29/564985829.db2.gz OLOXXGBUJFKQNP-UHFFFAOYSA-N -1 3 391.269 3.115 20 0 GGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000106892800 564990637 /nfs/dbraw/zinc/99/06/37/564990637.db2.gz BJFWDHJEZLYLGB-UHFFFAOYSA-N -1 3 399.818 3.369 20 0 GGADHM CC(C)c1[nH]nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1Br ZINC000106904682 564991975 /nfs/dbraw/zinc/99/19/75/564991975.db2.gz CGVFELLCPYWNAX-UHFFFAOYSA-N -1 3 384.181 3.418 20 0 GGADHM O=C(c1c[n-]c2ccc(I)cc2c1=O)N1CCCCCC1 ZINC000153382327 564992693 /nfs/dbraw/zinc/99/26/93/564992693.db2.gz PGOYJQSMAJNFKZ-UHFFFAOYSA-N -1 3 396.228 3.149 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000153468959 564995932 /nfs/dbraw/zinc/99/59/32/564995932.db2.gz HIVYYYLECWTFMU-SNVBAGLBSA-N -1 3 396.228 3.005 20 0 GGADHM Cc1cnccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000107291131 564996889 /nfs/dbraw/zinc/99/68/89/564996889.db2.gz DLPNQPULTDBNTG-UHFFFAOYSA-N -1 3 381.885 3.373 20 0 GGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000153563263 565000471 /nfs/dbraw/zinc/00/04/71/565000471.db2.gz KEKVWIRMSQBRPI-UHFFFAOYSA-N -1 3 382.507 3.193 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153599979 565002330 /nfs/dbraw/zinc/00/23/30/565002330.db2.gz RSQNTOSCLQRHCE-BETUJISGSA-N -1 3 396.559 3.160 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1C[C@@H]2CCC[C@H]2C1 ZINC000153600177 565002437 /nfs/dbraw/zinc/00/24/37/565002437.db2.gz RSQNTOSCLQRHCE-STQMWFEESA-N -1 3 396.559 3.160 20 0 GGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1cc2c(cc1Br)OCCO2 ZINC000108230303 565009057 /nfs/dbraw/zinc/00/90/57/565009057.db2.gz CIANSKLENTXKBC-SNVBAGLBSA-N -1 3 378.222 3.417 20 0 GGADHM CCN(Cc1ccccc1C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153745665 565009309 /nfs/dbraw/zinc/00/93/09/565009309.db2.gz CSJQZBNSVAFGSJ-UHFFFAOYSA-N -1 3 386.926 3.037 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000108405141 565011030 /nfs/dbraw/zinc/01/10/30/565011030.db2.gz DFNVRCUJNCZJDP-SNVBAGLBSA-N -1 3 392.955 3.179 20 0 GGADHM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000108639398 565014634 /nfs/dbraw/zinc/01/46/34/565014634.db2.gz YGLHWAWVODRROP-UHFFFAOYSA-N -1 3 377.853 3.453 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000108650845 565014787 /nfs/dbraw/zinc/01/47/87/565014787.db2.gz BMDKOLQLKBDUPH-SSDOTTSWSA-N -1 3 390.248 3.428 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000108703024 565015870 /nfs/dbraw/zinc/01/58/70/565015870.db2.gz KXAWUWMPYQBQNL-UHFFFAOYSA-N -1 3 388.762 3.410 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000108817101 565017161 /nfs/dbraw/zinc/01/71/61/565017161.db2.gz IMVROYNGEGDVHH-VIFPVBQESA-N -1 3 399.544 3.239 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000153925404 565017575 /nfs/dbraw/zinc/01/75/75/565017575.db2.gz WIFFOVYACYRISW-CQSZACIVSA-N -1 3 398.937 3.352 20 0 GGADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1ccc(F)c(F)c1 ZINC000153963121 565019598 /nfs/dbraw/zinc/01/95/98/565019598.db2.gz SUNDPUYNDXHYBR-UHFFFAOYSA-N -1 3 384.473 3.314 20 0 GGADHM Cc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000153953009 565019804 /nfs/dbraw/zinc/01/98/04/565019804.db2.gz IPCUNHPEVNMRHS-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccccc1Cl ZINC000154007927 565022088 /nfs/dbraw/zinc/02/20/88/565022088.db2.gz NWGRKXRCKAHZMY-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000154058402 565023475 /nfs/dbraw/zinc/02/34/75/565023475.db2.gz ZMMQFGOROYUFHJ-CYBMUJFWSA-N -1 3 391.873 3.264 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000154058306 565023776 /nfs/dbraw/zinc/02/37/76/565023776.db2.gz ZMMQFGOROYUFHJ-ZDUSSCGKSA-N -1 3 391.873 3.264 20 0 GGADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000109354770 565024599 /nfs/dbraw/zinc/02/45/99/565024599.db2.gz SQZCODFYRVBADV-HNNXBMFYSA-N -1 3 375.266 3.159 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cccs1 ZINC000109489176 565026462 /nfs/dbraw/zinc/02/64/62/565026462.db2.gz TZUNKJZCFLLYGD-UHFFFAOYSA-N -1 3 389.380 3.295 20 0 GGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000109612299 565028565 /nfs/dbraw/zinc/02/85/65/565028565.db2.gz DPEHWYFNHTYTNL-UHFFFAOYSA-N -1 3 383.901 3.312 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c2)cs1 ZINC000154175697 565028883 /nfs/dbraw/zinc/02/88/83/565028883.db2.gz ZPCQNJRRDPAARD-HNNXBMFYSA-N -1 3 381.523 3.021 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)s1 ZINC000154219984 565030276 /nfs/dbraw/zinc/03/02/76/565030276.db2.gz SYWBGBNVSKSNFO-JTQLQIEISA-N -1 3 396.515 3.054 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(F)cc1Br ZINC000154243921 565030942 /nfs/dbraw/zinc/03/09/42/565030942.db2.gz CSYZOWHNQQSJJK-UHOFOFEASA-N -1 3 382.254 3.205 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)n2)s1 ZINC000154245862 565031075 /nfs/dbraw/zinc/03/10/75/565031075.db2.gz HXYLHYRQACPYFV-GFCCVEGCSA-N -1 3 387.552 3.082 20 0 GGADHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000109816704 565032306 /nfs/dbraw/zinc/03/23/06/565032306.db2.gz MUXMPLPTIDVTHD-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM CCc1ccc([O-])c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000109815040 565032331 /nfs/dbraw/zinc/03/23/31/565032331.db2.gz YUVNAKCRKDHJGN-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM COCCS(=O)(=O)[N-]c1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000154365981 565035059 /nfs/dbraw/zinc/03/50/59/565035059.db2.gz JDZNQHCPYPMIBK-UHFFFAOYSA-N -1 3 382.869 3.005 20 0 GGADHM Cc1cc2sc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)nc2c(C)c1 ZINC000110158250 565036765 /nfs/dbraw/zinc/03/67/65/565036765.db2.gz AHDFLGOMCNVHDI-UHFFFAOYSA-N -1 3 395.531 3.477 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc2)cs1 ZINC000154413222 565038233 /nfs/dbraw/zinc/03/82/33/565038233.db2.gz UUDKLRIPMLBJCU-OAHLLOKOSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000154416678 565038444 /nfs/dbraw/zinc/03/84/44/565038444.db2.gz NBWBADDKHYUPCG-INIZCTEOSA-N -1 3 386.905 3.038 20 0 GGADHM COCCS(=O)(=O)[N-]c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000154429777 565038698 /nfs/dbraw/zinc/03/86/98/565038698.db2.gz UUNAUNVSHKDBSS-UHFFFAOYSA-N -1 3 376.356 3.281 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@@H]1C ZINC000110462713 565040947 /nfs/dbraw/zinc/04/09/47/565040947.db2.gz GHZYZWRCHUTESF-WDEREUQCSA-N -1 3 379.309 3.061 20 0 GGADHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000154502596 565042012 /nfs/dbraw/zinc/04/20/12/565042012.db2.gz ATYCVXSTJKHLPP-UHFFFAOYSA-N -1 3 393.322 3.129 20 0 GGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000154673490 565048812 /nfs/dbraw/zinc/04/88/12/565048812.db2.gz AKZIVYIXZNHULP-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM O=S(=O)([N-]CCNc1ncncc1-c1ccccc1)c1ccc(Cl)s1 ZINC000537048338 565052551 /nfs/dbraw/zinc/05/25/51/565052551.db2.gz BGJZPNZIVNTGEC-UHFFFAOYSA-N -1 3 394.909 3.249 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000154793889 565052799 /nfs/dbraw/zinc/05/27/99/565052799.db2.gz KOABMJHLLPFABX-CYBMUJFWSA-N -1 3 383.286 3.446 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cs1 ZINC000111362749 565053537 /nfs/dbraw/zinc/05/35/37/565053537.db2.gz RPQWJTWYBIGYEO-VIFPVBQESA-N -1 3 388.898 3.170 20 0 GGADHM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N(C)Cc1ccccc1 ZINC000154878918 565055648 /nfs/dbraw/zinc/05/56/48/565055648.db2.gz ABTRXOBJZOOWGE-CYBMUJFWSA-N -1 3 377.282 3.405 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)s1 ZINC000154917992 565056701 /nfs/dbraw/zinc/05/67/01/565056701.db2.gz RTMBQVIZLQDTNZ-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2OC(C)C)n[n-]1 ZINC000537546004 565059286 /nfs/dbraw/zinc/05/92/86/565059286.db2.gz LKDWKDSLTSRXIN-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2OC(C)C)[n-]n1 ZINC000537546004 565059287 /nfs/dbraw/zinc/05/92/87/565059287.db2.gz LKDWKDSLTSRXIN-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000155077489 565060976 /nfs/dbraw/zinc/06/09/76/565060976.db2.gz HYNKITQAZIBESB-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)C)c2)c(C)c1 ZINC000112266926 565061443 /nfs/dbraw/zinc/06/14/43/565061443.db2.gz FBTHWFQEAIZZHM-UHFFFAOYSA-N -1 3 381.519 3.427 20 0 GGADHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3c(F)cc(Br)cc3F)c1-2 ZINC000155142421 565062480 /nfs/dbraw/zinc/06/24/80/565062480.db2.gz NHMYDBURPPKFRD-UHFFFAOYSA-N -1 3 384.184 3.152 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c1 ZINC000112361744 565062977 /nfs/dbraw/zinc/06/29/77/565062977.db2.gz HHTVKBRSCNVEQM-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000112362159 565063015 /nfs/dbraw/zinc/06/30/15/565063015.db2.gz YTSGSRBURUTYAS-AWEZNQCLSA-N -1 3 385.873 3.285 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000112361641 565063020 /nfs/dbraw/zinc/06/30/20/565063020.db2.gz KJTPAGDCXLYIGG-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c1 ZINC000112362055 565063050 /nfs/dbraw/zinc/06/30/50/565063050.db2.gz FHTSVOQGALQXSM-UHFFFAOYSA-N -1 3 378.837 3.482 20 0 GGADHM CCOc1cc([C@H]2NC(=O)CN2Cc2ccccc2)cc(Br)c1[O-] ZINC000112370232 565063205 /nfs/dbraw/zinc/06/32/05/565063205.db2.gz ZVCJOGIRPCARMH-SFHVURJKSA-N -1 3 391.265 3.184 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000155166089 565063355 /nfs/dbraw/zinc/06/33/55/565063355.db2.gz HMJWFQWMKUYDHN-SNVBAGLBSA-N -1 3 384.723 3.180 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(N2CCCCCC2)nc1 ZINC000155203907 565064197 /nfs/dbraw/zinc/06/41/97/565064197.db2.gz MHLVHXUQMUWHRO-UHFFFAOYSA-N -1 3 381.523 3.011 20 0 GGADHM O=C(NCCc1ccc(F)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112625791 565065053 /nfs/dbraw/zinc/06/50/53/565065053.db2.gz VKQNNLCHNSWXLG-UHFFFAOYSA-N -1 3 389.224 3.402 20 0 GGADHM O=C(NCc1ccccc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112626008 565065073 /nfs/dbraw/zinc/06/50/73/565065073.db2.gz DMJVWROYABIHJE-UHFFFAOYSA-N -1 3 375.197 3.360 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000112672507 565065246 /nfs/dbraw/zinc/06/52/46/565065246.db2.gz XYHCIKWNEWBZGQ-RHSMWYFYSA-N -1 3 380.535 3.271 20 0 GGADHM C[C@@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155269571 565065410 /nfs/dbraw/zinc/06/54/10/565065410.db2.gz COJBQCGIMWLUSD-SRENCEJNSA-N -1 3 377.388 3.496 20 0 GGADHM CCO[C@@H](C)c1nc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155293350 565065676 /nfs/dbraw/zinc/06/56/76/565065676.db2.gz VDBWTOIDFLXGJU-HUVZLPTESA-N -1 3 395.428 3.204 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2cc(-c3cccs3)on2)[n-]1 ZINC000155284596 565065710 /nfs/dbraw/zinc/06/57/10/565065710.db2.gz RZYJAAXLKFHRDY-VWLOTQADSA-N -1 3 389.380 3.366 20 0 GGADHM CCO[C@H](C)c1nc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155293454 565065771 /nfs/dbraw/zinc/06/57/71/565065771.db2.gz VDBWTOIDFLXGJU-IWHNICOQSA-N -1 3 395.428 3.204 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2ccc(OC(F)F)cc2)[n-]1 ZINC000155310405 565066033 /nfs/dbraw/zinc/06/60/33/565066033.db2.gz FRWPIVJIFIGMIO-RUZDIDTESA-N -1 3 382.310 3.251 20 0 GGADHM CCC(CC)CS(=O)(=O)[N-]CC(=O)Nc1cc(Br)ccc1C ZINC000113286231 565069028 /nfs/dbraw/zinc/06/90/28/565069028.db2.gz WZVDPXPHJQMIRS-UHFFFAOYSA-N -1 3 391.331 3.052 20 0 GGADHM CCCOc1c(Br)cc(Br)cc1CNCC(=O)[O-] ZINC000113404213 565069925 /nfs/dbraw/zinc/06/99/25/565069925.db2.gz RSHNIBHFBCFCLN-UHFFFAOYSA-N -1 3 381.064 3.175 20 0 GGADHM O=C(NCCOc1cccc(Br)c1)c1c[n-]c2ccccc2c1=O ZINC000155683721 565070613 /nfs/dbraw/zinc/07/06/13/565070613.db2.gz SHAOVVCWXFMMEV-UHFFFAOYSA-N -1 3 387.233 3.099 20 0 GGADHM COCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)n1 ZINC000113725612 565070696 /nfs/dbraw/zinc/07/06/96/565070696.db2.gz MVRNGGQHSVUKJL-UHFFFAOYSA-N -1 3 379.825 3.337 20 0 GGADHM CC(C)C[C@H]1COCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000113916519 565071424 /nfs/dbraw/zinc/07/14/24/565071424.db2.gz MOOPABUATKWPSO-ZDUSSCGKSA-N -1 3 393.281 3.178 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nnc(C(F)(F)F)s1 ZINC000155790668 565071559 /nfs/dbraw/zinc/07/15/59/565071559.db2.gz QLQVPTKRUYZJPT-UHFFFAOYSA-N -1 3 397.176 3.347 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000114113683 565072312 /nfs/dbraw/zinc/07/23/12/565072312.db2.gz IHQAVOOGTYQMIU-IUODEOHRSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000114182394 565072708 /nfs/dbraw/zinc/07/27/08/565072708.db2.gz SDOCTONWWPTTBB-XHDPSFHLSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000114182607 565072827 /nfs/dbraw/zinc/07/28/27/565072827.db2.gz VLFGOJVDRHOQCJ-ABAIWWIYSA-N -1 3 381.523 3.021 20 0 GGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)[C@H]2CCc3c2cccc3Cl)[n-]1 ZINC000155973988 565073468 /nfs/dbraw/zinc/07/34/68/565073468.db2.gz WIRIMLSGSLJAHK-NSHDSACASA-N -1 3 392.786 3.457 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1cc(Br)ccc1F ZINC000155981647 565073517 /nfs/dbraw/zinc/07/35/17/565073517.db2.gz KWAFMJXZSXGZHX-UHFFFAOYSA-N -1 3 394.287 3.179 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000155972479 565073564 /nfs/dbraw/zinc/07/35/64/565073564.db2.gz NQAIFDDSOUNBED-SNVBAGLBSA-N -1 3 382.291 3.374 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1cc(F)ccc1Br ZINC000155973973 565073570 /nfs/dbraw/zinc/07/35/70/565073570.db2.gz LUXISPRPHWIEET-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM Cn1cc(Cl)cc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000155995821 565073761 /nfs/dbraw/zinc/07/37/61/565073761.db2.gz NWLUJQOWGRJHRL-UHFFFAOYSA-N -1 3 387.864 3.147 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1sccc1Br ZINC000156008714 565073775 /nfs/dbraw/zinc/07/37/75/565073775.db2.gz QEVOVTQDJDHEFB-UHFFFAOYSA-N -1 3 379.301 3.102 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000156022326 565074030 /nfs/dbraw/zinc/07/40/30/565074030.db2.gz VQKSENBZQZFRKI-UHFFFAOYSA-N -1 3 380.363 3.436 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000156043392 565074311 /nfs/dbraw/zinc/07/43/11/565074311.db2.gz JSIPFUQSOUTPAY-UHFFFAOYSA-N -1 3 376.400 3.438 20 0 GGADHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1OC ZINC000114496818 565074778 /nfs/dbraw/zinc/07/47/78/565074778.db2.gz HPGSVKZQFCVXAT-VIFPVBQESA-N -1 3 375.368 3.161 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)cc1Cl ZINC000114499619 565074940 /nfs/dbraw/zinc/07/49/40/565074940.db2.gz QNFDJAQLWMERPA-UHFFFAOYSA-N -1 3 389.836 3.027 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1F ZINC000156115842 565075355 /nfs/dbraw/zinc/07/53/55/565075355.db2.gz VAPBMFZRZTWLBH-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC2(c3cccc(Cl)c3)CC2)ccc1F ZINC000156252344 565075963 /nfs/dbraw/zinc/07/59/63/565075963.db2.gz VWJRZLXQYNASNZ-UHFFFAOYSA-N -1 3 382.844 3.270 20 0 GGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156273238 565076060 /nfs/dbraw/zinc/07/60/60/565076060.db2.gz BLGNERXFEGRSBR-QMMMGPOBSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1cccc(I)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156282739 565078227 /nfs/dbraw/zinc/07/82/27/565078227.db2.gz IKTBKOYEKZXXEK-UHFFFAOYSA-N -1 3 385.176 3.374 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000156287050 565078427 /nfs/dbraw/zinc/07/84/27/565078427.db2.gz ZLNHAZCIIIOVGG-KGLIPLIRSA-N -1 3 398.575 3.102 20 0 GGADHM O=C(NCc1ccc(O)c(F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000156309853 565079059 /nfs/dbraw/zinc/07/90/59/565079059.db2.gz KVGFEJJLCZCDKO-UHFFFAOYSA-N -1 3 391.196 3.065 20 0 GGADHM COc1cc(/C=C/C(=O)NCCc2c(C)noc2C)cc(Br)c1[O-] ZINC000183584696 565079761 /nfs/dbraw/zinc/07/97/61/565079761.db2.gz QGICHUYRNMQTCF-SNAWJCMRSA-N -1 3 395.253 3.140 20 0 GGADHM COc1cc(/C=C/C(=O)N(CC(F)F)C2CC2)cc(Br)c1[O-] ZINC000183582345 565079885 /nfs/dbraw/zinc/07/98/85/565079885.db2.gz KCNDEFOLXXJDRO-GORDUTHDSA-N -1 3 376.197 3.433 20 0 GGADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000266444354 565080000 /nfs/dbraw/zinc/08/00/00/565080000.db2.gz MMNZLGCXOUTBJB-UHFFFAOYSA-N -1 3 380.432 3.180 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CC)CCc1cccs1 ZINC000266597745 565085409 /nfs/dbraw/zinc/08/54/09/565085409.db2.gz XFXJNGFLHTVJSG-UHFFFAOYSA-N -1 3 380.491 3.016 20 0 GGADHM CC(C)n1cc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)cn1 ZINC000266645272 565086825 /nfs/dbraw/zinc/08/68/25/565086825.db2.gz XJCBYGDIMRIIRD-UHFFFAOYSA-N -1 3 380.214 3.306 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)[C@H]1OCCc2sccc21 ZINC000291952373 565088689 /nfs/dbraw/zinc/08/86/89/565088689.db2.gz OJTTVUPCNZIVJR-APPDUMDISA-N -1 3 378.475 3.011 20 0 GGADHM CCOC(=O)c1c([N-]C(=O)C(=O)N(C)CC(C)C)sc2c1CCCS2 ZINC000266740223 565090175 /nfs/dbraw/zinc/09/01/75/565090175.db2.gz KLOALANKWJZZBM-UHFFFAOYSA-N -1 3 384.523 3.016 20 0 GGADHM Cn1nc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cc1OC(F)F ZINC000183734876 565092379 /nfs/dbraw/zinc/09/23/79/565092379.db2.gz NORSKMSEIPCASL-UHFFFAOYSA-N -1 3 383.405 3.277 20 0 GGADHM O=C(CCSCc1ccccn1)NCc1ccc([O-])c(Br)c1 ZINC000156547736 565093331 /nfs/dbraw/zinc/09/33/31/565093331.db2.gz MXXBYZANCWWFLP-UHFFFAOYSA-N -1 3 381.295 3.489 20 0 GGADHM O=C(CCSc1ccc(Cl)cc1)NCCNC(=O)c1ccc([O-])cc1 ZINC000156551143 565093754 /nfs/dbraw/zinc/09/37/54/565093754.db2.gz ZPLYJGSMSCUZBU-UHFFFAOYSA-N -1 3 378.881 3.074 20 0 GGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000156597863 565096206 /nfs/dbraw/zinc/09/62/06/565096206.db2.gz WKUUSMUDPGMLRS-OAHLLOKOSA-N -1 3 384.295 3.023 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000156586367 565096355 /nfs/dbraw/zinc/09/63/55/565096355.db2.gz XORQQNCVBQXQSQ-NSHDSACASA-N -1 3 397.722 3.005 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000156588604 565096401 /nfs/dbraw/zinc/09/64/01/565096401.db2.gz UCOYDSPXMSKGIM-UHFFFAOYSA-N -1 3 387.299 3.349 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2scnc2C(C)(C)C)s1 ZINC000266944951 565096524 /nfs/dbraw/zinc/09/65/24/565096524.db2.gz SMSWQJSFQHMHBJ-UHFFFAOYSA-N -1 3 386.524 3.200 20 0 GGADHM Cc1ccc(CCC(=O)NCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000156586390 565096559 /nfs/dbraw/zinc/09/65/59/565096559.db2.gz WJVLXZIAKGUPID-UHFFFAOYSA-N -1 3 391.265 3.151 20 0 GGADHM Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000369531862 565096791 /nfs/dbraw/zinc/09/67/91/565096791.db2.gz LZAVROONUQJGCO-UHFFFAOYSA-N -1 3 382.421 3.128 20 0 GGADHM Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000369531862 565096793 /nfs/dbraw/zinc/09/67/93/565096793.db2.gz LZAVROONUQJGCO-UHFFFAOYSA-N -1 3 382.421 3.128 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000267021754 565101528 /nfs/dbraw/zinc/10/15/28/565101528.db2.gz PSLBJNDEBAMRMO-UHFFFAOYSA-N -1 3 380.857 3.467 20 0 GGADHM CCOC(=O)C(=C([O-])CSc1ncc(C(C)C)n1C)c1nc(C)cs1 ZINC000267044340 565102260 /nfs/dbraw/zinc/10/22/60/565102260.db2.gz NPVJZZVUHWDMMO-AWEZNQCLSA-N -1 3 381.523 3.317 20 0 GGADHM CC(C)c1cnc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1C ZINC000267038828 565102925 /nfs/dbraw/zinc/10/29/25/565102925.db2.gz MTWSVLPFUHDDJR-LBPRGKRZSA-N -1 3 381.523 3.279 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000183924223 565103884 /nfs/dbraw/zinc/10/38/84/565103884.db2.gz PHKKOYQMRNDKCS-UHFFFAOYSA-N -1 3 394.269 3.038 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2cc(F)ccc2Br)n[n-]1 ZINC000183934526 565104146 /nfs/dbraw/zinc/10/41/46/565104146.db2.gz FSLXGFBHLARSJI-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2cc(F)ccc2Br)[n-]n1 ZINC000183934526 565104149 /nfs/dbraw/zinc/10/41/49/565104149.db2.gz FSLXGFBHLARSJI-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000267050119 565104078 /nfs/dbraw/zinc/10/40/78/565104078.db2.gz VQYIUUJSFFGRRV-NSHDSACASA-N -1 3 393.519 3.285 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC000267068572 565104455 /nfs/dbraw/zinc/10/44/55/565104455.db2.gz YPSJBZUSQLDHRE-UHFFFAOYSA-N -1 3 378.479 3.239 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCCC1 ZINC000156820381 565107347 /nfs/dbraw/zinc/10/73/47/565107347.db2.gz FKBIAGLUPZVTCS-UHFFFAOYSA-N -1 3 383.466 3.422 20 0 GGADHM C[C@@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000183977310 565108656 /nfs/dbraw/zinc/10/86/56/565108656.db2.gz YCRPLJSRXDODJU-SNVBAGLBSA-N -1 3 388.272 3.350 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2cccc([O-])c2)c(Br)c1 ZINC000183994395 565109651 /nfs/dbraw/zinc/10/96/51/565109651.db2.gz AYBTXYUGALMRDW-NSHDSACASA-N -1 3 398.278 3.264 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc2ccc(O)cc21 ZINC000184071510 565112351 /nfs/dbraw/zinc/11/23/51/565112351.db2.gz ISSATTHWTLMHMS-UHFFFAOYSA-N -1 3 396.877 3.177 20 0 GGADHM Cc1nnc(Sc2ccc([N-]S(=O)(=O)CCOC(C)C)c(C)c2)s1 ZINC000267332279 565113930 /nfs/dbraw/zinc/11/39/30/565113930.db2.gz OXKHWMBTVCHZBA-UHFFFAOYSA-N -1 3 387.552 3.473 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CCCC2(CC2)C1 ZINC000184117867 565114723 /nfs/dbraw/zinc/11/47/23/565114723.db2.gz SGUHRHFCBWUQHG-UHFFFAOYSA-N -1 3 396.559 3.304 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)s2)cs1 ZINC000157074732 565119017 /nfs/dbraw/zinc/11/90/17/565119017.db2.gz BQZGIQBXGPENMJ-VIFPVBQESA-N -1 3 388.536 3.189 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2nccn2C(F)F)c(Cl)c1Cl ZINC000267483234 565119377 /nfs/dbraw/zinc/11/93/77/565119377.db2.gz ASDXITAJTCCFAM-UHFFFAOYSA-N -1 3 386.207 3.072 20 0 GGADHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCCC[C@H]1C ZINC000184209008 565120357 /nfs/dbraw/zinc/12/03/57/565120357.db2.gz VAHBFMAGRJGQTN-KGLIPLIRSA-N -1 3 378.460 3.431 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000267596316 565123119 /nfs/dbraw/zinc/12/31/19/565123119.db2.gz CKUXKZVNQGPXFJ-SSDOTTSWSA-N -1 3 382.294 3.031 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000292570529 565123333 /nfs/dbraw/zinc/12/33/33/565123333.db2.gz LFZYHNONAVAQFQ-CQSZACIVSA-N -1 3 383.286 3.113 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000157224648 565123725 /nfs/dbraw/zinc/12/37/25/565123725.db2.gz TYADFAJAJWAJTG-ZDUSSCGKSA-N -1 3 394.499 3.059 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccc(Br)o1 ZINC000184269084 565123765 /nfs/dbraw/zinc/12/37/65/565123765.db2.gz JAEIVQSMGPPCAB-UHFFFAOYSA-N -1 3 385.239 3.345 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@H]1OCCc2sccc21 ZINC000292575725 565124019 /nfs/dbraw/zinc/12/40/19/565124019.db2.gz ZLGUJQDZDASFAS-BDJLRTHQSA-N -1 3 380.491 3.008 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1 ZINC000267600021 565124837 /nfs/dbraw/zinc/12/48/37/565124837.db2.gz DFUMVIUZCBNVMB-SSDOTTSWSA-N -1 3 382.294 3.031 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2c(Cl)cncc2Cl)s1 ZINC000292629358 565126301 /nfs/dbraw/zinc/12/63/01/565126301.db2.gz YABNLDCXCVCLSA-UHFFFAOYSA-N -1 3 393.277 3.147 20 0 GGADHM O=C(NCCOc1cccc(Br)c1)NCc1ccc([O-])c(F)c1 ZINC000157333212 565128561 /nfs/dbraw/zinc/12/85/61/565128561.db2.gz WCCANDZZPARVCN-UHFFFAOYSA-N -1 3 383.217 3.172 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)C2CC2)n1 ZINC000292713574 565130581 /nfs/dbraw/zinc/13/05/81/565130581.db2.gz MGDLIBGAIQGSNS-QGZVFWFLSA-N -1 3 376.503 3.400 20 0 GGADHM CCc1nc(C)c(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)o1 ZINC000292708854 565130682 /nfs/dbraw/zinc/13/06/82/565130682.db2.gz OEVLACDDIQWHTK-UHFFFAOYSA-N -1 3 390.241 3.200 20 0 GGADHM C[S@@](=O)Cc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000184366904 565131433 /nfs/dbraw/zinc/13/14/33/565131433.db2.gz WGIHTSAUMCLZLF-HSZRJFAPSA-N -1 3 397.294 3.355 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)c(Cl)c1 ZINC000157421809 565131663 /nfs/dbraw/zinc/13/16/63/565131663.db2.gz UMKYZIJAKIJMQP-SNVBAGLBSA-N -1 3 390.267 3.085 20 0 GGADHM COc1cc(C(=O)[N-]c2nc(SC)ns2)cc(OC)c1OC(F)F ZINC000267774600 565131748 /nfs/dbraw/zinc/13/17/48/565131748.db2.gz ANRXGZOWLSWKQQ-UHFFFAOYSA-N -1 3 377.394 3.131 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1Cl ZINC000157435850 565132589 /nfs/dbraw/zinc/13/25/89/565132589.db2.gz BNRGUWZZAZODBS-NSHDSACASA-N -1 3 390.267 3.085 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)ccc1F ZINC000267870546 565134226 /nfs/dbraw/zinc/13/42/26/565134226.db2.gz UMBZELMEGRGQGN-CYBMUJFWSA-N -1 3 382.379 3.048 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Br)cn1 ZINC000184486365 565138562 /nfs/dbraw/zinc/13/85/62/565138562.db2.gz GHDYAWATYAWEAW-UHFFFAOYSA-N -1 3 387.255 3.052 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)c1nc(C(C)(C)C)cs1 ZINC000184502291 565141026 /nfs/dbraw/zinc/14/10/26/565141026.db2.gz ANOCHJDOLLOLMC-VIFPVBQESA-N -1 3 396.460 3.239 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000292951894 565143202 /nfs/dbraw/zinc/14/32/02/565143202.db2.gz CAAQKXKGJWKJJU-ZCFIWIBFSA-N -1 3 383.779 3.398 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000157793020 565145423 /nfs/dbraw/zinc/14/54/23/565145423.db2.gz OYJGCAUPDRDBDW-HUUCEWRRSA-N -1 3 379.503 3.224 20 0 GGADHM COCc1nc(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)n[n-]1 ZINC000268469163 565153237 /nfs/dbraw/zinc/15/32/37/565153237.db2.gz HJHDSDYUIGCJTH-UHFFFAOYSA-N -1 3 375.479 3.114 20 0 GGADHM COCc1nc(SCc2nc(-c3cc(Br)cs3)no2)n[n-]1 ZINC000268481739 565154473 /nfs/dbraw/zinc/15/44/73/565154473.db2.gz LHDXSPANQKVBHL-UHFFFAOYSA-N -1 3 388.272 3.117 20 0 GGADHM COCc1nc(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000268483458 565154737 /nfs/dbraw/zinc/15/47/37/565154737.db2.gz JWROCVULCBQNNN-MRVPVSSYSA-N -1 3 375.281 3.227 20 0 GGADHM [O-]C(=NOCC1CC1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000293237095 565158146 /nfs/dbraw/zinc/15/81/46/565158146.db2.gz HNAOIWDJKMXPKC-UHFFFAOYSA-N -1 3 384.152 3.248 20 0 GGADHM O=C([N-]OCC1CC1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000293237095 565158147 /nfs/dbraw/zinc/15/81/47/565158147.db2.gz HNAOIWDJKMXPKC-UHFFFAOYSA-N -1 3 384.152 3.248 20 0 GGADHM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293293385 565160726 /nfs/dbraw/zinc/16/07/26/565160726.db2.gz ZCAVHUZYSNGZKH-VIFPVBQESA-N -1 3 379.429 3.200 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc3c2N1CCC3 ZINC000184892567 565164041 /nfs/dbraw/zinc/16/40/41/565164041.db2.gz QHOIFBBYPCMYQU-UHFFFAOYSA-N -1 3 380.828 3.115 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1O ZINC000158377860 565167174 /nfs/dbraw/zinc/16/71/74/565167174.db2.gz JXBKEVZPKNHFKX-UHFFFAOYSA-N -1 3 376.261 3.229 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)cc3c2N1CCC3 ZINC000184952690 565167620 /nfs/dbraw/zinc/16/76/20/565167620.db2.gz UNHGWTLJOOMSIC-UHFFFAOYSA-N -1 3 398.271 3.025 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)c(Cl)c1Cl ZINC000268802397 565167749 /nfs/dbraw/zinc/16/77/49/565167749.db2.gz QQYAOUVQTBRGBF-VIFPVBQESA-N -1 3 376.265 3.081 20 0 GGADHM CC(C)(C)c1nnc(CNC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000268890804 565170895 /nfs/dbraw/zinc/17/08/95/565170895.db2.gz OVPDTIYMOPYKON-UHFFFAOYSA-N -1 3 399.314 3.303 20 0 GGADHM Cc1cc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)[n-]c(=O)n1 ZINC000268890512 565170947 /nfs/dbraw/zinc/17/09/47/565170947.db2.gz SKQOISWMYMURST-CQSZACIVSA-N -1 3 386.210 3.150 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1cc(Br)ccc1Cl ZINC000158472620 565171676 /nfs/dbraw/zinc/17/16/76/565171676.db2.gz LVOYRWAEMKNSBH-ZDUSSCGKSA-N -1 3 390.686 3.114 20 0 GGADHM COCCC(C)(C)CNC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000185020871 565172203 /nfs/dbraw/zinc/17/22/03/565172203.db2.gz SVJWUMYBNNVJMW-AATRIKPKSA-N -1 3 386.286 3.355 20 0 GGADHM COc1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)c(Br)c1[O-] ZINC000293513067 565172414 /nfs/dbraw/zinc/17/24/14/565172414.db2.gz AJQSVSQISKVUJO-KRWDZBQOSA-N -1 3 395.297 3.408 20 0 GGADHM COc1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)c(Br)c1[O-] ZINC000293513072 565172822 /nfs/dbraw/zinc/17/28/22/565172822.db2.gz AJQSVSQISKVUJO-QGZVFWFLSA-N -1 3 395.297 3.408 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC2(CCOCC2)C1 ZINC000269034254 565175066 /nfs/dbraw/zinc/17/50/66/565175066.db2.gz NUIKMUCXDPYEMC-UHFFFAOYSA-N -1 3 383.286 3.257 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(F)c(Cl)c1 ZINC000158706868 565178519 /nfs/dbraw/zinc/17/85/19/565178519.db2.gz XBMHWTXJYMXXDE-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000158748741 565180278 /nfs/dbraw/zinc/18/02/78/565180278.db2.gz ISGDISAMTUJUPC-SSDOTTSWSA-N -1 3 379.301 3.197 20 0 GGADHM CC(C)NC(=O)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000158759975 565181472 /nfs/dbraw/zinc/18/14/72/565181472.db2.gz WJGPWNKBAOICCA-UHFFFAOYSA-N -1 3 391.265 3.223 20 0 GGADHM CC(C)NS(=O)(=O)Cc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293722633 565181580 /nfs/dbraw/zinc/18/15/80/565181580.db2.gz YQHRXRFRUDBNOQ-UHFFFAOYSA-N -1 3 382.913 3.163 20 0 GGADHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c2)CC1 ZINC000185157889 565182369 /nfs/dbraw/zinc/18/23/69/565182369.db2.gz NIEVSDVVVFDLES-UHFFFAOYSA-N -1 3 385.942 3.344 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000158790267 565182367 /nfs/dbraw/zinc/18/23/67/565182367.db2.gz RLGHKEIOFCTSIK-QMMMGPOBSA-N -1 3 391.262 3.275 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)cs1 ZINC000158823218 565183872 /nfs/dbraw/zinc/18/38/72/565183872.db2.gz KKVDONQAXPLKFN-VIFPVBQESA-N -1 3 388.898 3.185 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1cc(F)ccc1Cl ZINC000269300329 565184626 /nfs/dbraw/zinc/18/46/26/565184626.db2.gz BRWJMVUUARIISA-LBPRGKRZSA-N -1 3 379.906 3.202 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000158840019 565184787 /nfs/dbraw/zinc/18/47/87/565184787.db2.gz ZTNGYRZXPDDMAC-UHFFFAOYSA-N -1 3 388.898 3.105 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1nccs1 ZINC000158872992 565186510 /nfs/dbraw/zinc/18/65/10/565186510.db2.gz WDKBZMCIWOLOBX-HNNXBMFYSA-N -1 3 388.898 3.187 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1ccc(Br)cc1F ZINC000185233133 565187923 /nfs/dbraw/zinc/18/79/23/565187923.db2.gz WNMHRBMYNKLOPI-UHFFFAOYSA-N -1 3 391.287 3.401 20 0 GGADHM Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000293858284 565188873 /nfs/dbraw/zinc/18/88/73/565188873.db2.gz ZISAPBLEEMJZGJ-UHFFFAOYSA-N -1 3 380.286 3.408 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCSCC(C)C)cc1Cl ZINC000159053383 565192819 /nfs/dbraw/zinc/19/28/19/565192819.db2.gz PHSGDLLGTISOGQ-UHFFFAOYSA-N -1 3 396.937 3.495 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cn1 ZINC000185285955 565193947 /nfs/dbraw/zinc/19/39/47/565193947.db2.gz FMRFXJMECGTVID-UHFFFAOYSA-N -1 3 385.232 3.014 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC2(CC2)C1 ZINC000185355980 565196855 /nfs/dbraw/zinc/19/68/55/565196855.db2.gz MMCPCGPCXGRFRA-UHFFFAOYSA-N -1 3 391.320 3.064 20 0 GGADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)o1 ZINC000269756748 565198828 /nfs/dbraw/zinc/19/88/28/565198828.db2.gz IRLOXIQHQHNXHU-LBPRGKRZSA-N -1 3 384.504 3.093 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@H](O)C23CCCC3)cc(Br)c1[O-] ZINC000294190866 565202196 /nfs/dbraw/zinc/20/21/96/565202196.db2.gz OEHLDTYMHPRQEL-RGDDUWESSA-N -1 3 396.281 3.083 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccncc2C)s1 ZINC000269971343 565204901 /nfs/dbraw/zinc/20/49/01/565204901.db2.gz LFORGIFUOXORNU-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(F)c(Cl)c3)CCCCC2)no1 ZINC000270056722 565207835 /nfs/dbraw/zinc/20/78/35/565207835.db2.gz DIMFBHIQMUBPMS-UHFFFAOYSA-N -1 3 387.864 3.450 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-]c3ccccc3Br)cc12 ZINC000185566120 565207864 /nfs/dbraw/zinc/20/78/64/565207864.db2.gz SUAUNHUZKNVQQV-UHFFFAOYSA-N -1 3 382.239 3.349 20 0 GGADHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3nnc(C(C)C)s3)nc21 ZINC000294366144 565209854 /nfs/dbraw/zinc/20/98/54/565209854.db2.gz YFSASUWDISWARH-SECBINFHSA-N -1 3 380.495 3.353 20 0 GGADHM CCC1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CCCCC1 ZINC000185616034 565210960 /nfs/dbraw/zinc/21/09/60/565210960.db2.gz SOZOHFICQNJFJS-UHFFFAOYSA-N -1 3 384.567 3.378 20 0 GGADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1sccc1Br ZINC000185740182 565219179 /nfs/dbraw/zinc/21/91/79/565219179.db2.gz LMEIIOLKOAOFBG-UHFFFAOYSA-N -1 3 387.280 3.271 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1nccs1 ZINC000185820467 565222955 /nfs/dbraw/zinc/22/29/55/565222955.db2.gz QPTCQVCVEFKEFD-MRVPVSSYSA-N -1 3 379.276 3.127 20 0 GGADHM CC1([N-]S(=O)(=O)c2cc(Br)ccc2Br)CCC1 ZINC000159911985 565224059 /nfs/dbraw/zinc/22/40/59/565224059.db2.gz ZCJXELWYRWENPX-UHFFFAOYSA-N -1 3 383.105 3.433 20 0 GGADHM COc1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c(Br)c1[O-] ZINC000294853205 565232054 /nfs/dbraw/zinc/23/20/54/565232054.db2.gz SEYKHMBVSYOXKM-HNNXBMFYSA-N -1 3 380.286 3.480 20 0 GGADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1csc(-c2ccco2)n1 ZINC000185969745 565232158 /nfs/dbraw/zinc/23/21/58/565232158.db2.gz CBUUWQSGEWHFEL-UHFFFAOYSA-N -1 3 375.431 3.164 20 0 GGADHM CSCCCCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000185974602 565232639 /nfs/dbraw/zinc/23/26/39/565232639.db2.gz YUJLXFHUZOZZDT-UHFFFAOYSA-N -1 3 382.910 3.249 20 0 GGADHM CCOC(=O)c1ncc([N-]C(=O)c2cc(OC)c(Br)s2)s1 ZINC000271003985 565235233 /nfs/dbraw/zinc/23/52/33/565235233.db2.gz XOAALNONTUVYOQ-UHFFFAOYSA-N -1 3 391.268 3.405 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CC2(C1)CCCC2 ZINC000372418983 565236848 /nfs/dbraw/zinc/23/68/48/565236848.db2.gz ZZKAHXRMZZNJQY-UHFFFAOYSA-N -1 3 396.559 3.304 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccs1 ZINC000186051731 565237497 /nfs/dbraw/zinc/23/74/97/565237497.db2.gz AQGCGYNBFRAVGU-LLVKDONJSA-N -1 3 376.425 3.324 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-][C@H]3CCC[C@H](C(F)(F)F)C3)cc12 ZINC000186041122 565237565 /nfs/dbraw/zinc/23/75/65/565237565.db2.gz RGCUKZULMJYWOU-UWVGGRQHSA-N -1 3 377.388 3.185 20 0 GGADHM COc1c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c(C)nn1C ZINC000186100812 565239850 /nfs/dbraw/zinc/23/98/50/565239850.db2.gz OZSNLYDLCBMFMQ-UHFFFAOYSA-N -1 3 381.820 3.300 20 0 GGADHM Cc1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC000186105851 565240841 /nfs/dbraw/zinc/24/08/41/565240841.db2.gz REUCFOVKOQNLCH-UHFFFAOYSA-N -1 3 377.164 3.466 20 0 GGADHM Cc1ccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c(Br)c1 ZINC000186105851 565240845 /nfs/dbraw/zinc/24/08/45/565240845.db2.gz REUCFOVKOQNLCH-UHFFFAOYSA-N -1 3 377.164 3.466 20 0 GGADHM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc([O-])ccc1Br ZINC000271221530 565243610 /nfs/dbraw/zinc/24/36/10/565243610.db2.gz ZRVCWZZBBPUXKZ-UHFFFAOYSA-N -1 3 384.295 3.190 20 0 GGADHM Cc1cc(CN2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)cs1 ZINC000295098466 565244550 /nfs/dbraw/zinc/24/45/50/565244550.db2.gz UOSIPQNYQKBDMC-CABCVRRESA-N -1 3 376.444 3.105 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccc(F)cc1Br ZINC000186172249 565244832 /nfs/dbraw/zinc/24/48/32/565244832.db2.gz FKJSZKYCUCGHMR-GFCCVEGCSA-N -1 3 380.279 3.216 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186170576 565245209 /nfs/dbraw/zinc/24/52/09/565245209.db2.gz BGAZWGQFWCPZRY-OAHLLOKOSA-N -1 3 381.881 3.234 20 0 GGADHM CC(C)(C)OCc1cc(C(=O)NCc2ccc([O-])c(Br)c2)no1 ZINC000186179922 565245221 /nfs/dbraw/zinc/24/52/21/565245221.db2.gz CIBKLBXWIKKLBO-UHFFFAOYSA-N -1 3 383.242 3.388 20 0 GGADHM Cn1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000186203077 565246098 /nfs/dbraw/zinc/24/60/98/565246098.db2.gz JGQKRNGAHMMUDE-UHFFFAOYSA-N -1 3 384.288 3.401 20 0 GGADHM O=S(=O)([N-]Cc1cccs1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186192775 565246248 /nfs/dbraw/zinc/24/62/48/565246248.db2.gz PXOKUEYUMMMOBS-GFCCVEGCSA-N -1 3 387.910 3.295 20 0 GGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000271318595 565247647 /nfs/dbraw/zinc/24/76/47/565247647.db2.gz NWNUXSDLBKMCOU-SECBINFHSA-N -1 3 382.201 3.027 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)no1 ZINC000186225907 565248302 /nfs/dbraw/zinc/24/83/02/565248302.db2.gz JJYNHEVAHFMHBG-UHFFFAOYSA-N -1 3 390.864 3.402 20 0 GGADHM Cc1cc(C(=O)[N-]c2nc3ccc(I)cc3s2)on1 ZINC000186233308 565248608 /nfs/dbraw/zinc/24/86/08/565248608.db2.gz YJIIBUQDYDZQQY-UHFFFAOYSA-N -1 3 385.186 3.450 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)no1 ZINC000186221481 565248783 /nfs/dbraw/zinc/24/87/83/565248783.db2.gz MSCZQSQGPYINAW-UHFFFAOYSA-N -1 3 376.837 3.261 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000186279855 565251117 /nfs/dbraw/zinc/25/11/17/565251117.db2.gz XWOVSNRJFGHZCO-UHFFFAOYSA-N -1 3 379.186 3.203 20 0 GGADHM CN(C)CCn1nccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000295210412 565251437 /nfs/dbraw/zinc/25/14/37/565251437.db2.gz PCHJQTHZHQBIKO-UHFFFAOYSA-N -1 3 397.715 3.206 20 0 GGADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186290919 565252268 /nfs/dbraw/zinc/25/22/68/565252268.db2.gz AYTLSOPROZMUNG-GFCCVEGCSA-N -1 3 385.913 3.222 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186298363 565252966 /nfs/dbraw/zinc/25/29/66/565252966.db2.gz TURVQMULFDYNFO-UHFFFAOYSA-N -1 3 380.897 3.435 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000295256165 565255104 /nfs/dbraw/zinc/25/51/04/565255104.db2.gz XLTNLTYWIHFNOO-LBPRGKRZSA-N -1 3 396.412 3.051 20 0 GGADHM CC1=CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000271506176 565255396 /nfs/dbraw/zinc/25/53/96/565255396.db2.gz XYTRJBJSXLURBV-UHFFFAOYSA-N -1 3 394.212 3.337 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1Br ZINC000372854636 565258099 /nfs/dbraw/zinc/25/80/99/565258099.db2.gz DBWWOUHVCZJSJN-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000186481498 565263030 /nfs/dbraw/zinc/26/30/30/565263030.db2.gz FWQAJJLGZKYUTO-SSDOTTSWSA-N -1 3 381.342 3.358 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000271659446 565263684 /nfs/dbraw/zinc/26/36/84/565263684.db2.gz JLCXAOLVRNIJRE-ZYHUDNBSSA-N -1 3 382.345 3.301 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)s1 ZINC000271659444 565263846 /nfs/dbraw/zinc/26/38/46/565263846.db2.gz JLCXAOLVRNIJRE-PWSUYJOCSA-N -1 3 382.345 3.301 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000271738802 565265814 /nfs/dbraw/zinc/26/58/14/565265814.db2.gz WTMKGSBNIVALKG-YPMHNXCESA-N -1 3 380.279 3.070 20 0 GGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1 ZINC000186649101 565274406 /nfs/dbraw/zinc/27/44/06/565274406.db2.gz SUPNYAXHVCBKTR-IAGOWNOFSA-N -1 3 382.243 3.438 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)C1CCC(C(F)(F)F)CC1 ZINC000295587384 565275171 /nfs/dbraw/zinc/27/51/71/565275171.db2.gz MHCYQZSYACIQQE-SRHKJQAYSA-N -1 3 387.370 3.039 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)n2)CC1 ZINC000373207637 565275217 /nfs/dbraw/zinc/27/52/17/565275217.db2.gz XKTCYYYHLNJHJX-UHFFFAOYSA-N -1 3 382.555 3.310 20 0 GGADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(-c2ccccc2OC)s1 ZINC000295614112 565277480 /nfs/dbraw/zinc/27/74/80/565277480.db2.gz MOIOSPAXNAEMEO-UHFFFAOYSA-N -1 3 377.857 3.415 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186696007 565278335 /nfs/dbraw/zinc/27/83/35/565278335.db2.gz YXXGLXLWQDNIGU-GJZGRUSLSA-N -1 3 385.913 3.390 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000186733900 565281263 /nfs/dbraw/zinc/28/12/63/565281263.db2.gz RJZCLZQCISYZAJ-SSDOTTSWSA-N -1 3 381.342 3.358 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCOc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000295696014 565281702 /nfs/dbraw/zinc/28/17/02/565281702.db2.gz JXKXRQIFCVJURM-UHFFFAOYSA-N -1 3 384.263 3.234 20 0 GGADHM COc1cc(CCNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)ccc1O ZINC000186804176 565286375 /nfs/dbraw/zinc/28/63/75/565286375.db2.gz OJLJJGNRDBCJHQ-UHFFFAOYSA-N -1 3 377.853 3.478 20 0 GGADHM CC(C)O[N-]C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000295791749 565287074 /nfs/dbraw/zinc/28/70/74/565287074.db2.gz ZEKXYCKHTBIYII-UHFFFAOYSA-N -1 3 381.226 3.293 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccco1 ZINC000272445589 565287359 /nfs/dbraw/zinc/28/73/59/565287359.db2.gz RWYNLXJRFCOMOD-CQSZACIVSA-N -1 3 377.384 3.496 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(F)cc1I ZINC000161772847 565292614 /nfs/dbraw/zinc/29/26/14/565292614.db2.gz QKESUZVVNOZRSA-LLVKDONJSA-N -1 3 380.157 3.010 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(F)cc1I ZINC000161772847 565292621 /nfs/dbraw/zinc/29/26/21/565292621.db2.gz QKESUZVVNOZRSA-LLVKDONJSA-N -1 3 380.157 3.010 20 0 GGADHM COc1cc(/C=C/C(=O)N(C)C[C@H]2CCCCO2)cc(Br)c1[O-] ZINC000272616822 565291313 /nfs/dbraw/zinc/29/13/13/565291313.db2.gz PNODOIDWAXLGLA-KTRBRXNASA-N -1 3 384.270 3.204 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC/C=C/c2ccc(Br)cc2)c(=O)[n-]1 ZINC000295927786 565293521 /nfs/dbraw/zinc/29/35/21/565293521.db2.gz JPXGVVWPCBUSHE-ONEGZZNKSA-N -1 3 390.281 3.324 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C)cnc1Br)c1ccccc1 ZINC000295948826 565295401 /nfs/dbraw/zinc/29/54/01/565295401.db2.gz LQENCMVNHUKSBH-AWEZNQCLSA-N -1 3 385.283 3.282 20 0 GGADHM COCCOc1cncc(C(=O)Nc2c([O-])ccc(Br)c2C)c1 ZINC000295983225 565295987 /nfs/dbraw/zinc/29/59/87/565295987.db2.gz IWCKIVMQMMSSII-UHFFFAOYSA-N -1 3 381.226 3.136 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCCS1 ZINC000272828319 565298595 /nfs/dbraw/zinc/29/85/95/565298595.db2.gz DUGHEOWWUQEMAI-GFCCVEGCSA-N -1 3 382.429 3.301 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CF)CC2)ccc1Cl ZINC000296033668 565298921 /nfs/dbraw/zinc/29/89/21/565298921.db2.gz WGRJUSLFQBVZLL-UHFFFAOYSA-N -1 3 390.908 3.239 20 0 GGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)cc1 ZINC000161948270 565299140 /nfs/dbraw/zinc/29/91/40/565299140.db2.gz AIBTZBMXCPLPTN-UHFFFAOYSA-N -1 3 381.519 3.198 20 0 GGADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1OCCN(C)C ZINC000186985541 565300207 /nfs/dbraw/zinc/30/02/07/565300207.db2.gz YNBDXUGSPPECQD-UHFFFAOYSA-N -1 3 380.535 3.458 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(CN2CCCC2)on1 ZINC000296070692 565301289 /nfs/dbraw/zinc/30/12/89/565301289.db2.gz NZCQJRJHEXIJDM-UHFFFAOYSA-N -1 3 380.242 3.299 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000296082708 565301433 /nfs/dbraw/zinc/30/14/33/565301433.db2.gz OQRWSOWKPMXRHL-SNVBAGLBSA-N -1 3 383.286 3.487 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C)c1ccccc1 ZINC000296128437 565303041 /nfs/dbraw/zinc/30/30/41/565303041.db2.gz YXIUNWIRGNOJDF-MHECFPHRSA-N -1 3 381.519 3.003 20 0 GGADHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000296148475 565304502 /nfs/dbraw/zinc/30/45/02/565304502.db2.gz RZSWDJWUPOZPKX-GFCCVEGCSA-N -1 3 383.286 3.440 20 0 GGADHM CC[C@H](Cc1ccccc1Br)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273080903 565306898 /nfs/dbraw/zinc/30/68/98/565306898.db2.gz AJKLYRSINZKCSJ-GFCCVEGCSA-N -1 3 390.281 3.098 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)s1 ZINC000296204944 565306911 /nfs/dbraw/zinc/30/69/11/565306911.db2.gz WDJYRSBUHCTOLQ-SNVBAGLBSA-N -1 3 378.317 3.218 20 0 GGADHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000187077117 565307443 /nfs/dbraw/zinc/30/74/43/565307443.db2.gz ZZLUCGJRCLTTMG-UHFFFAOYSA-N -1 3 375.475 3.244 20 0 GGADHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000187077117 565307448 /nfs/dbraw/zinc/30/74/48/565307448.db2.gz ZZLUCGJRCLTTMG-UHFFFAOYSA-N -1 3 375.475 3.244 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(C2CC(F)(F)C2)no1 ZINC000296259111 565308580 /nfs/dbraw/zinc/30/85/80/565308580.db2.gz BQKKOURCRXGMFB-MRVPVSSYSA-N -1 3 377.800 3.275 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000296299320 565311132 /nfs/dbraw/zinc/31/11/32/565311132.db2.gz PGKSAONVKBMEFB-MRVPVSSYSA-N -1 3 385.458 3.150 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000162259897 565311267 /nfs/dbraw/zinc/31/12/67/565311267.db2.gz WXOSJZXLSDFHRD-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(OC2COC2)cc1 ZINC000187145281 565312684 /nfs/dbraw/zinc/31/26/84/565312684.db2.gz VAQTVBKWCVREOR-UHFFFAOYSA-N -1 3 393.237 3.254 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C[C@H](C)O ZINC000187165217 565313510 /nfs/dbraw/zinc/31/35/10/565313510.db2.gz YZKWZFSXTKDIEK-OLZOCXBDSA-N -1 3 375.918 3.204 20 0 GGADHM CCOC[C@@H](C)CS(=O)(=O)[N-]Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000296355561 565315092 /nfs/dbraw/zinc/31/50/92/565315092.db2.gz QPQIVPIDZBHDTB-GFCCVEGCSA-N -1 3 386.901 3.395 20 0 GGADHM C[C@@H](CCC(C)(C)C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000273316423 565316799 /nfs/dbraw/zinc/31/67/99/565316799.db2.gz OKTAKLBANWWYSO-AWEZNQCLSA-N -1 3 386.583 3.480 20 0 GGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(NS(C)(=O)=O)ccc1Cl ZINC000187269803 565320919 /nfs/dbraw/zinc/32/09/19/565320919.db2.gz PSUBHZUHVIIGJH-UHFFFAOYSA-N -1 3 388.898 3.075 20 0 GGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C ZINC000296540160 565321552 /nfs/dbraw/zinc/32/15/52/565321552.db2.gz DZFRVLKUSZUMHO-UHFFFAOYSA-N -1 3 381.885 3.322 20 0 GGADHM Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)ccc1=O ZINC000187330503 565324088 /nfs/dbraw/zinc/32/40/88/565324088.db2.gz IQLRHFYSGXEGTA-UHFFFAOYSA-N -1 3 382.869 3.018 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1nccs1 ZINC000273510698 565324004 /nfs/dbraw/zinc/32/40/04/565324004.db2.gz LSTFUMWKEMISBG-QMMMGPOBSA-N -1 3 379.276 3.127 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000162762791 565327062 /nfs/dbraw/zinc/32/70/62/565327062.db2.gz IQHNFPYUQICERC-HZMBPMFUSA-N -1 3 394.718 3.338 20 0 GGADHM COCc1cccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000162758906 565327120 /nfs/dbraw/zinc/32/71/20/565327120.db2.gz CTTQCFLTSLLIOP-UHFFFAOYSA-N -1 3 379.254 3.301 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2nnc(C)s2)cc1Cl ZINC000273621656 565327545 /nfs/dbraw/zinc/32/75/45/565327545.db2.gz QWYGWMDHNAFIOP-ZCFIWIBFSA-N -1 3 382.294 3.201 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000162787907 565328139 /nfs/dbraw/zinc/32/81/39/565328139.db2.gz GVZYNKRLKCGCIN-GXFFZTMASA-N -1 3 380.293 3.238 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3nnc(C)s3)s2)cs1 ZINC000273652022 565328740 /nfs/dbraw/zinc/32/87/40/565328740.db2.gz WQWBAVLAKARXSE-ZETCQYMHSA-N -1 3 386.549 3.379 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2cccc(Br)c2C1 ZINC000187387970 565329084 /nfs/dbraw/zinc/32/90/84/565329084.db2.gz CRCQEIDXTCUCEA-UHFFFAOYSA-N -1 3 390.281 3.294 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1 ZINC000162903741 565331658 /nfs/dbraw/zinc/33/16/58/565331658.db2.gz ZXHZFQQZQBRSLU-UHFFFAOYSA-N -1 3 381.870 3.158 20 0 GGADHM CC[C@H]1[C@H](C)CCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000187469789 565335002 /nfs/dbraw/zinc/33/50/02/565335002.db2.gz DFEXAOIWDQFGKS-RISCZKNCSA-N -1 3 393.336 3.309 20 0 GGADHM Cc1cccnc1CCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000296767212 565335416 /nfs/dbraw/zinc/33/54/16/565335416.db2.gz OXOSCZKHNAELFX-UHFFFAOYSA-N -1 3 378.270 3.290 20 0 GGADHM COc1ccc(CN2CCCN(c3nccs3)CC2)c(Br)c1[O-] ZINC000273777854 565335512 /nfs/dbraw/zinc/33/55/12/565335512.db2.gz SEGQUECAYTZQIQ-UHFFFAOYSA-N -1 3 398.326 3.332 20 0 GGADHM CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000273797352 565337208 /nfs/dbraw/zinc/33/72/08/565337208.db2.gz WKXBDFVMXYCJKC-ZDUSSCGKSA-N -1 3 399.329 3.292 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000273797351 565337225 /nfs/dbraw/zinc/33/72/25/565337225.db2.gz WKXBDFVMXYCJKC-CYBMUJFWSA-N -1 3 399.329 3.292 20 0 GGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187542208 565339621 /nfs/dbraw/zinc/33/96/21/565339621.db2.gz UIRJRTWYGOQTGX-UONOGXRCSA-N -1 3 375.918 3.468 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000187564711 565341462 /nfs/dbraw/zinc/34/14/62/565341462.db2.gz FKRHIDRDNIXRSW-KOMQPUFPSA-N -1 3 387.929 3.348 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[n-]1 ZINC000187584964 565342780 /nfs/dbraw/zinc/34/27/80/565342780.db2.gz JNSSJFOOWUAHIH-QMMMGPOBSA-N -1 3 388.276 3.473 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1C1CC1 ZINC000163337691 565343509 /nfs/dbraw/zinc/34/35/09/565343509.db2.gz GVPVCQLQDGZIDY-UHFFFAOYSA-N -1 3 394.806 3.072 20 0 GGADHM COCCCn1cc(C)c(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000296891803 565343634 /nfs/dbraw/zinc/34/36/34/565343634.db2.gz YDYHQQWJUDXFOG-UHFFFAOYSA-N -1 3 397.273 3.018 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000187595773 565344164 /nfs/dbraw/zinc/34/41/64/565344164.db2.gz RQFQEWRTHIKPJX-UHFFFAOYSA-N -1 3 388.276 3.254 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@@H](OC)C(C)(C)C2)cc(Br)c1[O-] ZINC000296938745 565346453 /nfs/dbraw/zinc/34/64/53/565346453.db2.gz IXJRLIDLHSYQNP-LLYBFZRZSA-N -1 3 398.297 3.450 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000163497090 565347851 /nfs/dbraw/zinc/34/78/51/565347851.db2.gz QSYSKGVSEJQVCN-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1cccc2ccccc21 ZINC000163492298 565347898 /nfs/dbraw/zinc/34/78/98/565347898.db2.gz SOZCMSUTPKLXCX-UHFFFAOYSA-N -1 3 375.475 3.001 20 0 GGADHM Cc1cc(NC(=O)c2cccc3nn[n-]c32)n(-c2cccc(Br)c2)n1 ZINC000187682815 565348993 /nfs/dbraw/zinc/34/89/93/565348993.db2.gz BBWPOEYZNCRHRV-UHFFFAOYSA-N -1 3 397.236 3.467 20 0 GGADHM Cc1cc(NC(=O)c2cccc3[n-]nnc32)n(-c2cccc(Br)c2)n1 ZINC000187682815 565348995 /nfs/dbraw/zinc/34/89/95/565348995.db2.gz BBWPOEYZNCRHRV-UHFFFAOYSA-N -1 3 397.236 3.467 20 0 GGADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)n(-c2cccc(Br)c2)n1 ZINC000187682815 565348999 /nfs/dbraw/zinc/34/89/99/565348999.db2.gz BBWPOEYZNCRHRV-UHFFFAOYSA-N -1 3 397.236 3.467 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@@H](O)CC(C)(C)C2)cc(Br)c1[O-] ZINC000296994046 565349611 /nfs/dbraw/zinc/34/96/11/565349611.db2.gz PZMIVPUIQGOUIJ-MUBLQREKSA-N -1 3 398.297 3.186 20 0 GGADHM O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cccc2nn[n-]c21 ZINC000187700947 565350286 /nfs/dbraw/zinc/35/02/86/565350286.db2.gz DXVYJDXRELNGIO-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cccc2[n-]nnc21 ZINC000187700947 565350290 /nfs/dbraw/zinc/35/02/90/565350290.db2.gz DXVYJDXRELNGIO-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cccc2n[n-]nc21 ZINC000187700947 565350293 /nfs/dbraw/zinc/35/02/93/565350293.db2.gz DXVYJDXRELNGIO-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM COCCn1cc2c(n1)[C@H](NCc1cc([O-])ccc1Br)CCC2 ZINC000374712464 565351941 /nfs/dbraw/zinc/35/19/41/565351941.db2.gz CQOZWSUOCRMQBQ-MRXNPFEDSA-N -1 3 380.286 3.165 20 0 GGADHM NC(=O)Nc1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc1 ZINC000187755968 565352464 /nfs/dbraw/zinc/35/24/64/565352464.db2.gz GLZFLKKYUYEIQW-UHFFFAOYSA-N -1 3 375.841 3.212 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCC(C)(F)F)s1 ZINC000297041789 565352590 /nfs/dbraw/zinc/35/25/90/565352590.db2.gz LNRNBVRFJRUXAP-UHFFFAOYSA-N -1 3 396.525 3.167 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCO3)no2)ccc1Cl ZINC000274063629 565354084 /nfs/dbraw/zinc/35/40/84/565354084.db2.gz FBHYMRPXBFKYJF-LBPRGKRZSA-N -1 3 385.873 3.318 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@H](C)c2nnc(C)s2)cc(Br)c1[O-] ZINC000274124107 565357625 /nfs/dbraw/zinc/35/76/25/565357625.db2.gz BJMWIMSTBZAJEW-WTSVBCDHSA-N -1 3 398.282 3.214 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C3CC3)c2)s1 ZINC000297212739 565362329 /nfs/dbraw/zinc/36/23/29/565362329.db2.gz VLZMEDYLAMNLHW-LBPRGKRZSA-N -1 3 378.519 3.301 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)NCc1ccc([O-])c(Br)c1 ZINC000164763390 565362496 /nfs/dbraw/zinc/36/24/96/565362496.db2.gz WKAMGONVRDWKKC-UHFFFAOYSA-N -1 3 392.221 3.053 20 0 GGADHM Cc1c2nc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)sc2ccc1F ZINC000164795943 565362757 /nfs/dbraw/zinc/36/27/57/565362757.db2.gz IPCJAKNQTGBIEZ-SECBINFHSA-N -1 3 399.494 3.111 20 0 GGADHM CCCN(CCc1cccs1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000274303456 565366596 /nfs/dbraw/zinc/36/65/96/565366596.db2.gz UVZGXMZAZLBLAL-UHFFFAOYSA-N -1 3 384.498 3.354 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CO)Cc3ccccc3)s2)cs1 ZINC000187992664 565368763 /nfs/dbraw/zinc/36/87/63/565368763.db2.gz QRUAMTAEBVXHKP-CQSZACIVSA-N -1 3 394.543 3.062 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc3occ(C)c3c2)s1 ZINC000187999370 565369991 /nfs/dbraw/zinc/36/99/91/565369991.db2.gz DBXYRLDGHLKVEK-UHFFFAOYSA-N -1 3 379.463 3.033 20 0 GGADHM Cn1ccnc1[C@H]1N(C(=O)NCc2ccc([O-])c(Br)c2)CC1(C)C ZINC000297376537 565370045 /nfs/dbraw/zinc/37/00/45/565370045.db2.gz QDKXEXDBRAWACI-CQSZACIVSA-N -1 3 393.285 3.181 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2Br)o1)[N-]OC[C@@H]1CCOC1 ZINC000188019199 565370638 /nfs/dbraw/zinc/37/06/38/565370638.db2.gz HJBKRNGCCFAHGF-GFCCVEGCSA-N -1 3 395.253 3.121 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2Br)o1)[N-]OC[C@H]1CCOC1 ZINC000188019220 565371183 /nfs/dbraw/zinc/37/11/83/565371183.db2.gz HJBKRNGCCFAHGF-LBPRGKRZSA-N -1 3 395.253 3.121 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)CSc2ccc(C)cc2)s1 ZINC000274644463 565376132 /nfs/dbraw/zinc/37/61/32/565376132.db2.gz MOKUOEVERHYNQO-ZDUSSCGKSA-N -1 3 398.575 3.152 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)CSc2ccc(C)cc2)s1 ZINC000274644430 565376261 /nfs/dbraw/zinc/37/62/61/565376261.db2.gz MOKUOEVERHYNQO-CYBMUJFWSA-N -1 3 398.575 3.152 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000188080486 565376821 /nfs/dbraw/zinc/37/68/21/565376821.db2.gz ZAQBTGDMKPDLQU-GASCZTMLSA-N -1 3 384.567 3.234 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H](OC(C)C)c1ccccc1OC ZINC000274665778 565377201 /nfs/dbraw/zinc/37/72/01/565377201.db2.gz QCUYOUFGMCNRLQ-INIZCTEOSA-N -1 3 385.507 3.210 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)c(C)o1 ZINC000166986829 565377299 /nfs/dbraw/zinc/37/72/99/565377299.db2.gz BYRNPVLUDWELQO-VIFPVBQESA-N -1 3 386.495 3.168 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](OC(C)C)c1ccccc1OC ZINC000274665780 565377416 /nfs/dbraw/zinc/37/74/16/565377416.db2.gz QCUYOUFGMCNRLQ-MRXNPFEDSA-N -1 3 385.507 3.210 20 0 GGADHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000167653105 565379263 /nfs/dbraw/zinc/37/92/63/565379263.db2.gz NZWRNRKSGPCVOU-UHFFFAOYSA-N -1 3 376.309 3.330 20 0 GGADHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000167631661 565379364 /nfs/dbraw/zinc/37/93/64/565379364.db2.gz VRSNLVITQGYGBF-UHFFFAOYSA-N -1 3 376.309 3.330 20 0 GGADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000167898528 565380785 /nfs/dbraw/zinc/38/07/85/565380785.db2.gz PFHGDOKWKKQVHB-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM CC(=O)N(C)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000168912956 565381945 /nfs/dbraw/zinc/38/19/45/565381945.db2.gz QDGCPQMNUHUBIB-UHFFFAOYSA-N -1 3 392.253 3.459 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(Cc3ccccc3)C2)sc1Cl ZINC000188138651 565382700 /nfs/dbraw/zinc/38/27/00/565382700.db2.gz HDTHSOXEKJBNRK-CQSZACIVSA-N -1 3 398.937 3.037 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(C(F)F)c1 ZINC000170635865 565384754 /nfs/dbraw/zinc/38/47/54/565384754.db2.gz IIVOUEXMEWVHOH-UHFFFAOYSA-N -1 3 380.825 3.256 20 0 GGADHM CCOc1cc(CN2CCCN(C(=O)C(C)C)CC2)cc(Br)c1[O-] ZINC000297754719 565385949 /nfs/dbraw/zinc/38/59/49/565385949.db2.gz LFPHORNVTDUIND-UHFFFAOYSA-N -1 3 399.329 3.244 20 0 GGADHM COC(=O)c1cc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)oc1C ZINC000188192896 565387082 /nfs/dbraw/zinc/38/70/82/565387082.db2.gz YZDQWYCNWGZRDP-UHFFFAOYSA-N -1 3 379.825 3.410 20 0 GGADHM CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000188201144 565387328 /nfs/dbraw/zinc/38/73/28/565387328.db2.gz ISNSQUKOYBJRQA-AAEUAGOBSA-N -1 3 389.930 3.125 20 0 GGADHM CCOc1cc(CN2CCC(O)(C(F)(F)F)CC2)cc(Br)c1[O-] ZINC000297812204 565388042 /nfs/dbraw/zinc/38/80/42/565388042.db2.gz YCZZLZCVXMVJEY-UHFFFAOYSA-N -1 3 398.219 3.443 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cnc3ccsc3c2)no1 ZINC000275094608 565393413 /nfs/dbraw/zinc/39/34/13/565393413.db2.gz KTFAJRPSPGIKRT-UHFFFAOYSA-N -1 3 381.479 3.078 20 0 GGADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1F ZINC000188333621 565395797 /nfs/dbraw/zinc/39/57/97/565395797.db2.gz QWNJQSBKGRXGOQ-UHFFFAOYSA-N -1 3 388.814 3.032 20 0 GGADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000275190192 565396881 /nfs/dbraw/zinc/39/68/81/565396881.db2.gz WRJMNIZYJZOGLM-MNOVXSKESA-N -1 3 380.901 3.168 20 0 GGADHM CC[C@@]1(CO)CCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000275192191 565397093 /nfs/dbraw/zinc/39/70/93/565397093.db2.gz CZULSORWVIDQMH-DUMMIQTOSA-N -1 3 398.297 3.188 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)c3csc4ccccc43)n2)CC1 ZINC000375649709 565399252 /nfs/dbraw/zinc/39/92/52/565399252.db2.gz AFAMPWDLDMHZBY-UHFFFAOYSA-N -1 3 376.507 3.165 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188456547 565402425 /nfs/dbraw/zinc/40/24/25/565402425.db2.gz NXBKJBZJAKVQSZ-UHFFFAOYSA-N -1 3 384.910 3.423 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CC(F)(F)C2)ccc1Cl ZINC000298187787 565402873 /nfs/dbraw/zinc/40/28/73/565402873.db2.gz AUVBFTPXVNQTLC-UHFFFAOYSA-N -1 3 394.871 3.192 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc2nn[n-]c21 ZINC000188509230 565405820 /nfs/dbraw/zinc/40/58/20/565405820.db2.gz WYBZZCHEWHMJEU-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc2[n-]nnc21 ZINC000188509230 565405822 /nfs/dbraw/zinc/40/58/22/565405822.db2.gz WYBZZCHEWHMJEU-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc2n[n-]nc21 ZINC000188509230 565405823 /nfs/dbraw/zinc/40/58/23/565405823.db2.gz WYBZZCHEWHMJEU-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000171092801 565407293 /nfs/dbraw/zinc/40/72/93/565407293.db2.gz PYZJRWAPHLGSTQ-UHFFFAOYSA-N -1 3 379.507 3.426 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000188553031 565407512 /nfs/dbraw/zinc/40/75/12/565407512.db2.gz HXKFQRRENKARJF-LDYMZIIASA-N -1 3 377.837 3.163 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000188547610 565408069 /nfs/dbraw/zinc/40/80/69/565408069.db2.gz GYLQBGZHBZRZMP-NOZJJQNGSA-N -1 3 389.798 3.241 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000188544950 565408181 /nfs/dbraw/zinc/40/81/81/565408181.db2.gz LVDPJVAUAXONLF-ZANVPECISA-N -1 3 389.798 3.241 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(F)cc1F ZINC000188557574 565409365 /nfs/dbraw/zinc/40/93/65/565409365.db2.gz GDHOXOGCFRBUFN-QMTHXVAHSA-N -1 3 387.370 3.035 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccc(F)cc1 ZINC000171107215 565410043 /nfs/dbraw/zinc/41/00/43/565410043.db2.gz WSCTUDIEHJMANF-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM Cc1c(Br)cccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000171153792 565414317 /nfs/dbraw/zinc/41/43/17/565414317.db2.gz CHUMLXSPHXEBFX-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3c(s2)CSCC3)cc1 ZINC000376089540 565421260 /nfs/dbraw/zinc/42/12/60/565421260.db2.gz VCYQQIKHBKHNCN-UHFFFAOYSA-N -1 3 397.547 3.336 20 0 GGADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccsc3Cl)ccc2O1 ZINC000275697064 565424525 /nfs/dbraw/zinc/42/45/25/565424525.db2.gz JWWQWCSNCWSCNY-CYBMUJFWSA-N -1 3 387.866 3.069 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(Cc1cccs1)C(C)C ZINC000275762598 565426814 /nfs/dbraw/zinc/42/68/14/565426814.db2.gz TWCJVUAXCYNFEQ-UHFFFAOYSA-N -1 3 380.491 3.362 20 0 GGADHM CC(=O)Nc1cc(F)c(F)cc1[N-]C(=O)c1ncc(Br)s1 ZINC000188844564 565426882 /nfs/dbraw/zinc/42/68/82/565426882.db2.gz SYHYZNPYTOHLQY-UHFFFAOYSA-N -1 3 376.182 3.395 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000171337693 565427224 /nfs/dbraw/zinc/42/72/24/565427224.db2.gz AEFWXZNCIWUJRH-UHFFFAOYSA-N -1 3 380.491 3.008 20 0 GGADHM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)C2CC2)cc1 ZINC000171337693 565427226 /nfs/dbraw/zinc/42/72/26/565427226.db2.gz AEFWXZNCIWUJRH-UHFFFAOYSA-N -1 3 380.491 3.008 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccn1 ZINC000171414621 565430150 /nfs/dbraw/zinc/43/01/50/565430150.db2.gz ITZZQPXMARFXJT-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1cccnc1 ZINC000171415238 565430850 /nfs/dbraw/zinc/43/08/50/565430850.db2.gz LZQQMZBLTZSMOO-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4c(s3)CSCC4)c[n-]c12 ZINC000376321030 565430969 /nfs/dbraw/zinc/43/09/69/565430969.db2.gz IYOCZBKVLHEWMS-UHFFFAOYSA-N -1 3 375.450 3.474 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)cc2F)CC1)c1cccs1 ZINC000188939954 565434505 /nfs/dbraw/zinc/43/45/05/565434505.db2.gz HTVFZGICQXEKPC-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000171509249 565434936 /nfs/dbraw/zinc/43/49/36/565434936.db2.gz YUQJEXKBIBHWMU-UHFFFAOYSA-N -1 3 379.787 3.330 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cnc(-c3ccco3)s2)ccc1F ZINC000171524683 565435820 /nfs/dbraw/zinc/43/58/20/565435820.db2.gz CSJVOVHXGBESBZ-UHFFFAOYSA-N -1 3 381.410 3.166 20 0 GGADHM Cn1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1=O ZINC000189008709 565438051 /nfs/dbraw/zinc/43/80/51/565438051.db2.gz CACGGWJDDWJTDC-UHFFFAOYSA-N -1 3 382.869 3.018 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2C)cc1Cl ZINC000171628469 565440740 /nfs/dbraw/zinc/44/07/40/565440740.db2.gz MJQIKDOLIWRDLD-UHFFFAOYSA-N -1 3 384.860 3.267 20 0 GGADHM CCOC(=O)CSc1nnc(NC(=O)c2cc(Cl)c(Cl)[n-]2)s1 ZINC000299174601 565442416 /nfs/dbraw/zinc/44/24/16/565442416.db2.gz WVONVCHFUPHPLA-UHFFFAOYSA-N -1 3 381.266 3.081 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nc(-c2ccncc2)no1 ZINC000171731224 565446968 /nfs/dbraw/zinc/44/69/68/565446968.db2.gz JHEJDSWVEMQVCT-UHFFFAOYSA-N -1 3 399.259 3.058 20 0 GGADHM COCCOc1c(Cl)cc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1Cl ZINC000276393038 565447602 /nfs/dbraw/zinc/44/76/02/565447602.db2.gz NGFXQWYNFQGIPJ-SNVBAGLBSA-N -1 3 379.240 3.108 20 0 GGADHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000299387052 565449821 /nfs/dbraw/zinc/44/98/21/565449821.db2.gz SGOKJZWAVHTLLF-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000171797465 565452121 /nfs/dbraw/zinc/45/21/21/565452121.db2.gz JKEHVWYDBQVLOH-UHFFFAOYSA-N -1 3 383.901 3.312 20 0 GGADHM CCOC(=O)c1csc([N-]C(=O)c2cc3sc(N(C)C)nc3s2)n1 ZINC000171826917 565452755 /nfs/dbraw/zinc/45/27/55/565452755.db2.gz ZWTSMJBDIPRCNT-UHFFFAOYSA-N -1 3 382.492 3.309 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189244826 565453472 /nfs/dbraw/zinc/45/34/72/565453472.db2.gz CRLBBDHAUKPNMJ-UHFFFAOYSA-N -1 3 392.786 3.345 20 0 GGADHM CSc1nnc(NC(=O)COc2ccc(C3SCCCS3)cc2)[n-]1 ZINC000299523469 565453578 /nfs/dbraw/zinc/45/35/78/565453578.db2.gz LQKCAHNLNWBPNS-UHFFFAOYSA-N -1 3 382.536 3.413 20 0 GGADHM CSc1n[n-]c(NC(=O)COc2ccc(C3SCCCS3)cc2)n1 ZINC000299523469 565453583 /nfs/dbraw/zinc/45/35/83/565453583.db2.gz LQKCAHNLNWBPNS-UHFFFAOYSA-N -1 3 382.536 3.413 20 0 GGADHM CSc1nc(NC(=O)COc2ccc(C3SCCCS3)cc2)n[n-]1 ZINC000299523469 565453587 /nfs/dbraw/zinc/45/35/87/565453587.db2.gz LQKCAHNLNWBPNS-UHFFFAOYSA-N -1 3 382.536 3.413 20 0 GGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000376784112 565454533 /nfs/dbraw/zinc/45/45/33/565454533.db2.gz FDSHNZZSHHUUHR-GFCCVEGCSA-N -1 3 382.283 3.328 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000299681720 565459240 /nfs/dbraw/zinc/45/92/40/565459240.db2.gz WGBGALSNZDPWIT-OAHLLOKOSA-N -1 3 382.482 3.408 20 0 GGADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)[nH]1 ZINC000276796821 565460912 /nfs/dbraw/zinc/46/09/12/565460912.db2.gz CCMYJCJJDWIVLY-NXEZZACHSA-N -1 3 396.289 3.347 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)n[nH]1 ZINC000276796821 565460916 /nfs/dbraw/zinc/46/09/16/565460916.db2.gz CCMYJCJJDWIVLY-NXEZZACHSA-N -1 3 396.289 3.347 20 0 GGADHM O=C(NCc1cc(F)cc(F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172001027 565461225 /nfs/dbraw/zinc/46/12/25/565461225.db2.gz UFXQPMPZHZMSBA-UHFFFAOYSA-N -1 3 393.187 3.499 20 0 GGADHM Cc1ccc2cc(CNCC[N-]S(=O)(=O)c3ccc(Cl)s3)ccc2n1 ZINC000189404911 565463868 /nfs/dbraw/zinc/46/38/68/565463868.db2.gz LLJRBZCMVMESQP-UHFFFAOYSA-N -1 3 395.937 3.326 20 0 GGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000172063085 565464902 /nfs/dbraw/zinc/46/49/02/565464902.db2.gz WSKBZHFUKOWBTM-NXEZZACHSA-N -1 3 389.315 3.047 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(Br)cc1Br ZINC000189444006 565466365 /nfs/dbraw/zinc/46/63/65/565466365.db2.gz HWODFKVWCMCJOU-QMMMGPOBSA-N -1 3 394.063 3.301 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Br)cc1Br ZINC000189444006 565466368 /nfs/dbraw/zinc/46/63/68/565466368.db2.gz HWODFKVWCMCJOU-QMMMGPOBSA-N -1 3 394.063 3.301 20 0 GGADHM O=C([N-]c1nncn1-c1cccnc1)c1cc(Cl)cc(Br)c1F ZINC000377138950 565467795 /nfs/dbraw/zinc/46/77/95/565467795.db2.gz LWVNVUKTNSGYED-UHFFFAOYSA-N -1 3 396.607 3.470 20 0 GGADHM CCSc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000172140340 565468233 /nfs/dbraw/zinc/46/82/33/565468233.db2.gz FJBMMWSGSPFYDB-UHFFFAOYSA-N -1 3 390.939 3.431 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(Cl)c1Br ZINC000277045656 565473287 /nfs/dbraw/zinc/47/32/87/565473287.db2.gz KXQOSNWWSJHTCO-ZYHUDNBSSA-N -1 3 394.718 3.338 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c(C)c1 ZINC000172266649 565476219 /nfs/dbraw/zinc/47/62/19/565476219.db2.gz MLTBIDOCHZESRS-XMMPIXPASA-N -1 3 381.519 3.381 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2cccc3nn[n-]c32)cc1Br ZINC000189636136 565478547 /nfs/dbraw/zinc/47/85/47/565478547.db2.gz HVUYQYHNBDBLIL-VIFPVBQESA-N -1 3 375.226 3.220 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2cccc3[n-]nnc32)cc1Br ZINC000189636136 565478548 /nfs/dbraw/zinc/47/85/48/565478548.db2.gz HVUYQYHNBDBLIL-VIFPVBQESA-N -1 3 375.226 3.220 20 0 GGADHM COc1ccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1Br ZINC000189636136 565478549 /nfs/dbraw/zinc/47/85/49/565478549.db2.gz HVUYQYHNBDBLIL-VIFPVBQESA-N -1 3 375.226 3.220 20 0 GGADHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2nc3cc(Cl)ccn3n2)n1 ZINC000622873299 565478614 /nfs/dbraw/zinc/47/86/14/565478614.db2.gz JLRDPXMXSZRIPO-UHFFFAOYSA-N -1 3 397.664 3.349 20 0 GGADHM O=C(N[C@H]1CC=CCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000172392015 565482272 /nfs/dbraw/zinc/48/22/72/565482272.db2.gz UBVMGWHODBTZMN-LBPRGKRZSA-N -1 3 382.532 3.127 20 0 GGADHM COCCn1ccc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)n1 ZINC000189735453 565484816 /nfs/dbraw/zinc/48/48/16/565484816.db2.gz SLTGVPRLIVCPIN-UHFFFAOYSA-N -1 3 375.479 3.093 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cc(Cl)ccc1Br ZINC000277278420 565486869 /nfs/dbraw/zinc/48/68/69/565486869.db2.gz LVHMCUKVYLUZKG-AWEZNQCLSA-N -1 3 375.694 3.131 20 0 GGADHM O=S(=O)([N-]C1CCN(c2cc(C(F)(F)F)ccn2)CC1)c1cccs1 ZINC000301462007 565488366 /nfs/dbraw/zinc/48/83/66/565488366.db2.gz ZZMYOWBTRJPFQN-UHFFFAOYSA-N -1 3 391.440 3.109 20 0 GGADHM CSc1nnc(CCCNC(=O)c2cc([O-])ccc2Cl)n1CC(C)C ZINC000277360514 565491449 /nfs/dbraw/zinc/49/14/49/565491449.db2.gz IHXPRNGYNUPNBP-UHFFFAOYSA-N -1 3 382.917 3.378 20 0 GGADHM COc1ccc(Br)cc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000172572659 565492999 /nfs/dbraw/zinc/49/29/99/565492999.db2.gz ZILFPAORCZZAMK-UHFFFAOYSA-N -1 3 383.217 3.302 20 0 GGADHM CC[C@@H](C)CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172660475 565497576 /nfs/dbraw/zinc/49/75/76/565497576.db2.gz PLEVHDKGWZIEDS-GFCCVEGCSA-N -1 3 388.917 3.072 20 0 GGADHM O=C(C1CCCCCCC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000172734001 565501341 /nfs/dbraw/zinc/50/13/41/565501341.db2.gz CSFNTWFZVQTKED-UHFFFAOYSA-N -1 3 384.567 3.378 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000190007912 565501539 /nfs/dbraw/zinc/50/15/39/565501539.db2.gz FIXFKZHQRHRXNK-UHFFFAOYSA-N -1 3 379.912 3.079 20 0 GGADHM COc1ccccc1C[C@H](CNCc1ccccc1Br)C(=O)[O-] ZINC000277504846 565502042 /nfs/dbraw/zinc/50/20/42/565502042.db2.gz XVVLTSQANNOFEH-OAHLLOKOSA-N -1 3 378.266 3.491 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N1CCCCO1 ZINC000190044526 565504140 /nfs/dbraw/zinc/50/41/40/565504140.db2.gz LHISOJZMVXHKOE-UHFFFAOYSA-N -1 3 380.853 3.308 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1ccc(C)o1 ZINC000190041078 565504449 /nfs/dbraw/zinc/50/44/49/565504449.db2.gz MXWCXSUVQHBPES-CQSZACIVSA-N -1 3 377.384 3.359 20 0 GGADHM CCOC(=O)C(=Cc1scnc1C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000172816081 565505036 /nfs/dbraw/zinc/50/50/36/565505036.db2.gz DFMUAWIQYBYSSS-IZZDOVSWSA-N -1 3 375.475 3.470 20 0 GGADHM C[C@@H]1CCSCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000190058403 565505500 /nfs/dbraw/zinc/50/55/00/565505500.db2.gz QSHKEXDRBHFTHD-SNVBAGLBSA-N -1 3 381.295 3.258 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000190132075 565509792 /nfs/dbraw/zinc/50/97/92/565509792.db2.gz XIEDUYUSGBRVGX-UHFFFAOYSA-N -1 3 379.459 3.110 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000190151995 565511664 /nfs/dbraw/zinc/51/16/64/565511664.db2.gz UKKPZNYRLBOQRT-LLVKDONJSA-N -1 3 386.520 3.038 20 0 GGADHM CN(C)C1(CN(C)C(=O)c2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000190149383 565512032 /nfs/dbraw/zinc/51/20/32/565512032.db2.gz RFVQAOBKMUFPAX-UHFFFAOYSA-N -1 3 375.694 3.364 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1nc(C)cs1 ZINC000190146457 565512347 /nfs/dbraw/zinc/51/23/47/565512347.db2.gz DILFYTUDWBKKBJ-HNNXBMFYSA-N -1 3 388.536 3.212 20 0 GGADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000172978999 565517201 /nfs/dbraw/zinc/51/72/01/565517201.db2.gz MMEUAYDKKIIYQA-CQSZACIVSA-N -1 3 390.452 3.281 20 0 GGADHM O=C(NCc1ccccc1OCCO)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000190231782 565517556 /nfs/dbraw/zinc/51/75/56/565517556.db2.gz ZGURGBRYDJYSCT-UHFFFAOYSA-N -1 3 377.853 3.093 20 0 GGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000173001255 565518216 /nfs/dbraw/zinc/51/82/16/565518216.db2.gz PNLIQSHVUSUDJR-NWDGAFQWSA-N -1 3 393.336 3.309 20 0 GGADHM CC(C)Nc1cc(F)ccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000172999776 565518405 /nfs/dbraw/zinc/51/84/05/565518405.db2.gz FJDMYGBHCCQDLO-LLVKDONJSA-N -1 3 385.486 3.013 20 0 GGADHM Cc1c(Br)cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c(=O)n1C ZINC000277772980 565518442 /nfs/dbraw/zinc/51/84/42/565518442.db2.gz PXZWSDNNJVJUPS-JTQLQIEISA-N -1 3 391.265 3.316 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(C2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000173023617 565520321 /nfs/dbraw/zinc/52/03/21/565520321.db2.gz PCKDWKDIDHMTAR-JTQLQIEISA-N -1 3 382.835 3.121 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)on1 ZINC000173066655 565524308 /nfs/dbraw/zinc/52/43/08/565524308.db2.gz QIUDUKRMKQEODV-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)cs1 ZINC000173099285 565526679 /nfs/dbraw/zinc/52/66/79/565526679.db2.gz LKGSJSBHVXKYQG-UHFFFAOYSA-N -1 3 393.303 3.128 20 0 GGADHM O=C(NCCNc1cnc2cc(Cl)c(Cl)cc2n1)c1ccc([O-])cc1 ZINC000302081185 565529130 /nfs/dbraw/zinc/52/91/30/565529130.db2.gz JEGYNQBPICACNE-UHFFFAOYSA-N -1 3 377.231 3.484 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190437323 565532235 /nfs/dbraw/zinc/53/22/35/565532235.db2.gz HYMGDWWAUPDBRV-UHFFFAOYSA-N -1 3 380.897 3.435 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000190448659 565533165 /nfs/dbraw/zinc/53/31/65/565533165.db2.gz GHTBXKPFHFGPTK-LLVKDONJSA-N -1 3 375.899 3.294 20 0 GGADHM CC[C@](C)(CNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000277995467 565533297 /nfs/dbraw/zinc/53/32/97/565533297.db2.gz NPLMWWGOUJPPDP-GFCCVEGCSA-N -1 3 380.080 3.197 20 0 GGADHM CC[C@@](C)(CNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000277995470 565533398 /nfs/dbraw/zinc/53/33/98/565533398.db2.gz NPLMWWGOUJPPDP-LBPRGKRZSA-N -1 3 380.080 3.197 20 0 GGADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCSCC2)c(Cl)c1 ZINC000278002799 565533596 /nfs/dbraw/zinc/53/35/96/565533596.db2.gz FYARTBBXZWVGEF-NSHDSACASA-N -1 3 393.818 3.270 20 0 GGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173186201 565534761 /nfs/dbraw/zinc/53/47/61/565534761.db2.gz AKMSNMVZOOPXPN-QMMMGPOBSA-N -1 3 391.262 3.103 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000190459278 565534735 /nfs/dbraw/zinc/53/47/35/565534735.db2.gz CGXYMXXHWGAHPT-LBPRGKRZSA-N -1 3 389.926 3.336 20 0 GGADHM O=C(CCCC1CCCC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000173184708 565535349 /nfs/dbraw/zinc/53/53/49/565535349.db2.gz WIPSPLCVQXEZDC-UHFFFAOYSA-N -1 3 384.567 3.378 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCCO1 ZINC000379225187 565539069 /nfs/dbraw/zinc/53/90/69/565539069.db2.gz LVBQFQFBDMFLHY-CABZTGNLSA-N -1 3 382.707 3.338 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2SCCc3sccc32)ccc1F ZINC000173252008 565540607 /nfs/dbraw/zinc/54/06/07/565540607.db2.gz UUCLLPBDVRWXMU-CQSZACIVSA-N -1 3 386.495 3.228 20 0 GGADHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)OC ZINC000381315207 565541340 /nfs/dbraw/zinc/54/13/40/565541340.db2.gz UYZUWISQYLALOT-RNCFNFMXSA-N -1 3 384.723 3.442 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2cccc(Cl)c2Cl)on1 ZINC000278134060 565542235 /nfs/dbraw/zinc/54/22/35/565542235.db2.gz XBVABGXOVALFAC-SECBINFHSA-N -1 3 377.249 3.232 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190590458 565543630 /nfs/dbraw/zinc/54/36/30/565543630.db2.gz SXHSROFZOSOAFL-UHFFFAOYSA-N -1 3 386.926 3.496 20 0 GGADHM CSCC1CCC([N-]S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000385547796 565545519 /nfs/dbraw/zinc/54/55/19/565545519.db2.gz MRBOQVUMKYKHBO-UHFFFAOYSA-N -1 3 379.345 3.044 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CCC(CSC)CC1 ZINC000385338081 565545621 /nfs/dbraw/zinc/54/56/21/565545621.db2.gz WTQHYTCIBZUNSW-UHFFFAOYSA-N -1 3 377.553 3.043 20 0 GGADHM O=S(=O)([N-]CCOc1ncc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000173325838 565549040 /nfs/dbraw/zinc/54/90/40/565549040.db2.gz IUIHBXVNNMTMKC-UHFFFAOYSA-N -1 3 386.804 3.173 20 0 GGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000388340449 565550386 /nfs/dbraw/zinc/55/03/86/565550386.db2.gz JNLOXOLMKMJYMB-SDBXPKJASA-N -1 3 382.707 3.194 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1nc(C(F)(F)F)cs1 ZINC000278303871 565550676 /nfs/dbraw/zinc/55/06/76/565550676.db2.gz CXDWLNLHRQQHIY-QMMMGPOBSA-N -1 3 378.397 3.136 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000190680704 565551315 /nfs/dbraw/zinc/55/13/15/565551315.db2.gz KURKWHNFQUTWMN-GFCCVEGCSA-N -1 3 387.498 3.130 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Br)cc2)o1 ZINC000173352671 565551472 /nfs/dbraw/zinc/55/14/72/565551472.db2.gz PFRAIIBGRLDEQZ-CQSZACIVSA-N -1 3 388.283 3.271 20 0 GGADHM CC(C)(C)[S@@](=O)Cc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333945 565551738 /nfs/dbraw/zinc/55/17/38/565551738.db2.gz YHJNZJFYIYQTCE-YDBLSZJJSA-N -1 3 376.400 3.111 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccccc2OC(F)F)o1 ZINC000173352214 565551933 /nfs/dbraw/zinc/55/19/33/565551933.db2.gz KUPADSCNFSMHSB-GFCCVEGCSA-N -1 3 375.393 3.109 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCOC1 ZINC000389195233 565553122 /nfs/dbraw/zinc/55/31/22/565553122.db2.gz OJVAFQGJTWUBIO-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000389082341 565553535 /nfs/dbraw/zinc/55/35/35/565553535.db2.gz ZBNBHODUWXUPAB-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000390186897 565555915 /nfs/dbraw/zinc/55/59/15/565555915.db2.gz BDUHILSFUAOHDT-UHFFFAOYSA-N -1 3 399.310 3.118 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C(C)(C)C)nc(C(C)C)n2)s1 ZINC000302783447 565556980 /nfs/dbraw/zinc/55/69/80/565556980.db2.gz LAJUIBNZZAMVKU-UHFFFAOYSA-N -1 3 382.555 3.479 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000278429527 565557390 /nfs/dbraw/zinc/55/73/90/565557390.db2.gz RWFWYRYELSGTPB-MRVPVSSYSA-N -1 3 391.396 3.484 20 0 GGADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190766786 565557463 /nfs/dbraw/zinc/55/74/63/565557463.db2.gz IHYYMVFVBINHLP-CYBMUJFWSA-N -1 3 375.918 3.206 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1[O-] ZINC000390717237 565557840 /nfs/dbraw/zinc/55/78/40/565557840.db2.gz YLRDORSIUSCHDE-UHFFFAOYSA-N -1 3 376.217 3.286 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)cc1OC ZINC000173465062 565558620 /nfs/dbraw/zinc/55/86/20/565558620.db2.gz FOAJNBPDTHXHFY-OAHLLOKOSA-N -1 3 386.470 3.037 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000278452937 565559784 /nfs/dbraw/zinc/55/97/84/565559784.db2.gz WKFHCAQNIGRAPT-VIFPVBQESA-N -1 3 382.433 3.054 20 0 GGADHM COc1ccccc1N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000391329753 565560109 /nfs/dbraw/zinc/56/01/09/565560109.db2.gz LRXLGDRBYZLCJB-UHFFFAOYSA-N -1 3 377.282 3.486 20 0 GGADHM COc1cc(Br)c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1OC ZINC000390991824 565560301 /nfs/dbraw/zinc/56/03/01/565560301.db2.gz GZTZLEZVKKBPCY-KNHMANMVSA-N -1 3 384.270 3.151 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2scnc2C)sc1Br ZINC000391328077 565560545 /nfs/dbraw/zinc/56/05/45/565560545.db2.gz JEAYCJBGGIMWNJ-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000173487590 565560878 /nfs/dbraw/zinc/56/08/78/565560878.db2.gz PLGWULABMZJIRH-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000173487590 565560883 /nfs/dbraw/zinc/56/08/83/565560883.db2.gz PLGWULABMZJIRH-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000173487590 565560886 /nfs/dbraw/zinc/56/08/86/565560886.db2.gz PLGWULABMZJIRH-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM CN(Cc1ccccc1Br)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000392098902 565562721 /nfs/dbraw/zinc/56/27/21/565562721.db2.gz YDDZUZSEZQYDRS-HNNXBMFYSA-N -1 3 397.313 3.127 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1cc(Br)ccc1Cl ZINC000173512957 565563393 /nfs/dbraw/zinc/56/33/93/565563393.db2.gz GWTLCZRACFTQJC-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3sccc3S(C)(=O)=O)cc12 ZINC000173558958 565566757 /nfs/dbraw/zinc/56/67/57/565566757.db2.gz KQDABYLCNRZCAU-UHFFFAOYSA-N -1 3 383.520 3.476 20 0 GGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303140364 565567163 /nfs/dbraw/zinc/56/71/63/565567163.db2.gz DLYUNEJEGIASAE-VXGBXAGGSA-N -1 3 378.947 3.155 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000173570502 565568072 /nfs/dbraw/zinc/56/80/72/565568072.db2.gz YGOHMJQIDBIJAH-UHFFFAOYSA-N -1 3 387.420 3.035 20 0 GGADHM CC[C@@H](C)[C@H](C)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000303175879 565568981 /nfs/dbraw/zinc/56/89/81/565568981.db2.gz CCKOPSFBRILWJN-MNOVXSKESA-N -1 3 378.947 3.105 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000173604771 565570308 /nfs/dbraw/zinc/57/03/08/565570308.db2.gz KGNZMTFULLOVDT-JTQLQIEISA-N -1 3 377.329 3.149 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(F)(F)F ZINC000396914428 565575063 /nfs/dbraw/zinc/57/50/63/565575063.db2.gz KBFTVMBWKKZRBX-ZETCQYMHSA-N -1 3 378.185 3.455 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000303845241 565575599 /nfs/dbraw/zinc/57/55/99/565575599.db2.gz UBBAKJCUVVOGOX-GDBMZVCRSA-N -1 3 388.555 3.085 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000278773249 565576391 /nfs/dbraw/zinc/57/63/91/565576391.db2.gz LDBCIABPHRSMRK-UHFFFAOYSA-N -1 3 386.804 3.302 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000278816804 565578865 /nfs/dbraw/zinc/57/88/65/565578865.db2.gz ZPSVUDWWOGBPDO-UHFFFAOYSA-N -1 3 378.845 3.036 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1ccc(Cl)c(Br)c1 ZINC000401377062 565580139 /nfs/dbraw/zinc/58/01/39/565580139.db2.gz JQDUUOULAVSYJX-JTQLQIEISA-N -1 3 382.707 3.198 20 0 GGADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c(C)c1Cl ZINC000278903658 565583689 /nfs/dbraw/zinc/58/36/89/565583689.db2.gz VEXWTDHLCMRIJA-ZETCQYMHSA-N -1 3 394.927 3.035 20 0 GGADHM O=S(=O)([N-]CCOCC1CCCC1)c1ccc(F)cc1Br ZINC000313436382 565584815 /nfs/dbraw/zinc/58/48/15/565584815.db2.gz BHTKDYOSKDIYGK-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc(OC)c1[O-] ZINC000278934129 565586721 /nfs/dbraw/zinc/58/67/21/565586721.db2.gz LMHBIXMROAMFBT-ZETCQYMHSA-N -1 3 376.356 3.376 20 0 GGADHM CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000191171013 565586865 /nfs/dbraw/zinc/58/68/65/565586865.db2.gz HYMBMPHXUNEITK-KRWDZBQOSA-N -1 3 385.302 3.237 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000173815205 565589856 /nfs/dbraw/zinc/58/98/56/565589856.db2.gz WIJOTZWIKYJPJQ-HNNXBMFYSA-N -1 3 382.532 3.397 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C)cc2Br)s1 ZINC000173813164 565590067 /nfs/dbraw/zinc/59/00/67/565590067.db2.gz VTQJVRZCYUKZTP-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM [O-]c1cccc(CNC[C@H]2CN(Cc3ccccc3)CCO2)c1Br ZINC000315688024 565590549 /nfs/dbraw/zinc/59/05/49/565590549.db2.gz IPYXAIPYQZZXAQ-KRWDZBQOSA-N -1 3 391.309 3.145 20 0 GGADHM [O-]c1cccc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)c1Br ZINC000315688025 565590564 /nfs/dbraw/zinc/59/05/64/565590564.db2.gz IPYXAIPYQZZXAQ-QGZVFWFLSA-N -1 3 391.309 3.145 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C(C)(C)O1 ZINC000408133156 565596344 /nfs/dbraw/zinc/59/63/44/565596344.db2.gz NWKXVRQMLAEJBJ-LBPRGKRZSA-N -1 3 380.279 3.213 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318519921 565596512 /nfs/dbraw/zinc/59/65/12/565596512.db2.gz BGUISADSDYSXNX-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCCC[C@H]2C[C@H](C)O)cc(Br)c1[O-] ZINC000279146303 565597662 /nfs/dbraw/zinc/59/76/62/565597662.db2.gz COAPPSXLJHWWON-UTTOWCGFSA-N -1 3 398.297 3.329 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)sc1Br ZINC000408183816 565598137 /nfs/dbraw/zinc/59/81/37/565598137.db2.gz UTTBGMRIDASSPQ-WCQYABFASA-N -1 3 380.329 3.055 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCO1 ZINC000408193123 565598333 /nfs/dbraw/zinc/59/83/33/565598333.db2.gz QYJQNLSQHHLJTA-SNVBAGLBSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(Cl)c1Cl ZINC000408234518 565601108 /nfs/dbraw/zinc/60/11/08/565601108.db2.gz DFQNFWIJRVOWJJ-WZYXQFPFSA-N -1 3 380.293 3.094 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2cc(Cl)ccc2Cl)on1 ZINC000173952473 565601875 /nfs/dbraw/zinc/60/18/75/565601875.db2.gz ALBLHIVQRVRUNU-SECBINFHSA-N -1 3 377.249 3.232 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2cc(Cl)ccc2Cl)on1 ZINC000173952489 565601997 /nfs/dbraw/zinc/60/19/97/565601997.db2.gz ALBLHIVQRVRUNU-VIFPVBQESA-N -1 3 377.249 3.232 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000173974798 565603366 /nfs/dbraw/zinc/60/33/66/565603366.db2.gz FADHHEHWNPHDHP-LBPRGKRZSA-N -1 3 382.869 3.426 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000173985158 565603864 /nfs/dbraw/zinc/60/38/64/565603864.db2.gz HLZCGYWEMMFNFR-UHFFFAOYSA-N -1 3 382.869 3.346 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(Br)c2)c1 ZINC000173979665 565604331 /nfs/dbraw/zinc/60/43/31/565604331.db2.gz JXPWOZODZWCPNS-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM CCN(CCC[N-]S(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000321212853 565605260 /nfs/dbraw/zinc/60/52/60/565605260.db2.gz YDFYYTVNQIHHGA-UHFFFAOYSA-N -1 3 398.326 3.039 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000173999806 565605346 /nfs/dbraw/zinc/60/53/46/565605346.db2.gz LHUHVHPDHVBRIU-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1cc(F)c(F)c(F)c1 ZINC000174032751 565607539 /nfs/dbraw/zinc/60/75/39/565607539.db2.gz IBAJEKMXGSSDPG-UHFFFAOYSA-N -1 3 390.330 3.100 20 0 GGADHM Cc1csc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1Br ZINC000191493013 565607855 /nfs/dbraw/zinc/60/78/55/565607855.db2.gz AFOZMUBMACJZIM-UHFFFAOYSA-N -1 3 389.296 3.443 20 0 GGADHM CCSCC[C@H](C)N(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000174035267 565608779 /nfs/dbraw/zinc/60/87/79/565608779.db2.gz MGBXIVYRWAWLJN-JTQLQIEISA-N -1 3 383.539 3.043 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCOc1cccc(Br)c1 ZINC000322461941 565609452 /nfs/dbraw/zinc/60/94/52/565609452.db2.gz JHXIGEUAKPJZHF-KRWDZBQOSA-N -1 3 376.250 3.339 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Br)c(F)cc1C ZINC000191525258 565609942 /nfs/dbraw/zinc/60/99/42/565609942.db2.gz VUHTYVZQVPSFTO-UHFFFAOYSA-N -1 3 386.246 3.263 20 0 GGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000174072424 565610345 /nfs/dbraw/zinc/61/03/45/565610345.db2.gz GNNLZFILZRQGCD-VIFPVBQESA-N -1 3 382.910 3.248 20 0 GGADHM COc1cc(C(=O)N2CCc3cc(Br)ccc3C2)cc(OC)c1[O-] ZINC000191570153 565613770 /nfs/dbraw/zinc/61/37/70/565613770.db2.gz GTYHWKXUWDKFJI-UHFFFAOYSA-N -1 3 392.249 3.370 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCOc2ccc(C(C)C)cc2)c1 ZINC000409476610 565617575 /nfs/dbraw/zinc/61/75/75/565617575.db2.gz SZZUDZKLYYLNFE-UHFFFAOYSA-N -1 3 383.491 3.015 20 0 GGADHM C[C@@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303007 565618052 /nfs/dbraw/zinc/61/80/52/565618052.db2.gz WOBUJCRMWUHCKB-CJNGLKHVSA-N -1 3 397.313 3.346 20 0 GGADHM COc1cc(Br)c(CN2CC[C@](C(=O)[O-])(C(C)C)C2)cc1OC ZINC000324540097 565618289 /nfs/dbraw/zinc/61/82/89/565618289.db2.gz VZPPWDXNMUQKIF-QGZVFWFLSA-N -1 3 386.286 3.399 20 0 GGADHM Cc1noc(C)c1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409542326 565623164 /nfs/dbraw/zinc/62/31/64/565623164.db2.gz GSFUFQDTDASJNE-UHFFFAOYSA-N -1 3 394.204 3.159 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000326702949 565625149 /nfs/dbraw/zinc/62/51/49/565625149.db2.gz VOMGQJBAIUJQJJ-WDEREUQCSA-N -1 3 385.835 3.436 20 0 GGADHM Cc1cnc(COC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC000174358772 565631280 /nfs/dbraw/zinc/63/12/80/565631280.db2.gz LATWWEOVASVJSM-UHFFFAOYSA-N -1 3 386.857 3.070 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ccncc2Cl)ccc1F ZINC000174378213 565632567 /nfs/dbraw/zinc/63/25/67/565632567.db2.gz HZUXAJZYLSKIOG-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM Cc1ccc(CN2CC[C@H](NCc3cc([O-])ccc3Br)C2=O)cc1 ZINC000191804776 565632907 /nfs/dbraw/zinc/63/29/07/565632907.db2.gz PUFRRRNXZZLUAI-SFHVURJKSA-N -1 3 389.293 3.354 20 0 GGADHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1 ZINC000279790989 565633712 /nfs/dbraw/zinc/63/37/12/565633712.db2.gz YASXFUVAFRVAGZ-UHFFFAOYSA-N -1 3 384.841 3.028 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000174404573 565633818 /nfs/dbraw/zinc/63/38/18/565633818.db2.gz BWXYFNXRBDBVPH-SNVBAGLBSA-N -1 3 392.424 3.158 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191828507 565635598 /nfs/dbraw/zinc/63/55/98/565635598.db2.gz QREHIJIZLSQIPY-UHFFFAOYSA-N -1 3 398.893 3.033 20 0 GGADHM CCCn1ccc2ccc(NC(=O)C[N-]S(=O)(=O)c3cccs3)cc21 ZINC000174431369 565635789 /nfs/dbraw/zinc/63/57/89/565635789.db2.gz KSQDSFLIMFJXPV-UHFFFAOYSA-N -1 3 377.491 3.030 20 0 GGADHM CSCCO[N-]C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000279847733 565635996 /nfs/dbraw/zinc/63/59/96/565635996.db2.gz CCXNVJKTLUSYNB-UHFFFAOYSA-N -1 3 385.283 3.448 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000328680115 565638309 /nfs/dbraw/zinc/63/83/09/565638309.db2.gz NMTQUFFLPGCJOE-WCQGTBRESA-N -1 3 392.340 3.055 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(Cl)c1Cl ZINC000328668396 565638513 /nfs/dbraw/zinc/63/85/13/565638513.db2.gz FCCMRGDQKFEJMK-TZTCFGBESA-N -1 3 392.304 3.238 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000328680113 565638689 /nfs/dbraw/zinc/63/86/89/565638689.db2.gz NMTQUFFLPGCJOE-JLLWLGSASA-N -1 3 392.340 3.055 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2CN2CCCC2=O)sc1Cl ZINC000191871205 565639051 /nfs/dbraw/zinc/63/90/51/565639051.db2.gz INXKYDVISMSDNT-UHFFFAOYSA-N -1 3 398.937 3.311 20 0 GGADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccc2c(c1)OCO2 ZINC000191878282 565639216 /nfs/dbraw/zinc/63/92/16/565639216.db2.gz XTILWNCUAVEHEJ-UHFFFAOYSA-N -1 3 392.177 3.257 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(Cc3ccncc3)CC2)sc1Cl ZINC000191901029 565641164 /nfs/dbraw/zinc/64/11/64/565641164.db2.gz KCSRYLWIJZXQDJ-UHFFFAOYSA-N -1 3 385.942 3.048 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(Br)c(F)c1 ZINC000328807397 565642072 /nfs/dbraw/zinc/64/20/72/565642072.db2.gz MCEYSEOKRQZCAT-CQSZACIVSA-N -1 3 392.290 3.216 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000409824105 565642723 /nfs/dbraw/zinc/64/27/23/565642723.db2.gz ZPZRIOAGFAOUTN-INIZCTEOSA-N -1 3 386.926 3.093 20 0 GGADHM O=C(NCC(F)F)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000174557714 565642893 /nfs/dbraw/zinc/64/28/93/565642893.db2.gz RVELDLGYQFGTDW-UHFFFAOYSA-N -1 3 392.786 3.275 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000191926886 565643542 /nfs/dbraw/zinc/64/35/42/565643542.db2.gz CMTIGJKOFNFEAR-UHFFFAOYSA-N -1 3 383.253 3.111 20 0 GGADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)[C@H]1c1cccs1 ZINC000328876224 565645632 /nfs/dbraw/zinc/64/56/32/565645632.db2.gz ZRKOZHPPMSQQKB-LRDDRELGSA-N -1 3 385.942 3.158 20 0 GGADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)[C@@H]1c1cccs1 ZINC000328876223 565645982 /nfs/dbraw/zinc/64/59/82/565645982.db2.gz ZRKOZHPPMSQQKB-BLLLJJGKSA-N -1 3 385.942 3.158 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c1 ZINC000409890003 565646968 /nfs/dbraw/zinc/64/69/68/565646968.db2.gz ZSCLRNLWSUHFPB-UHFFFAOYSA-N -1 3 379.400 3.106 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000174607275 565647083 /nfs/dbraw/zinc/64/70/83/565647083.db2.gz CUKYCLWOHLHRMW-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Br)cs2)CC1 ZINC000174608869 565647470 /nfs/dbraw/zinc/64/74/70/565647470.db2.gz PEOFCYXJYBVLBL-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2nc(Br)cs2)nc1C ZINC000191984571 565647799 /nfs/dbraw/zinc/64/77/99/565647799.db2.gz MNSUTHWZUZUESH-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM C[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1=O ZINC000328958770 565648482 /nfs/dbraw/zinc/64/84/82/565648482.db2.gz OPHMQOLRFJOARE-UWVGGRQHSA-N -1 3 394.244 3.344 20 0 GGADHM CCC(CC)(C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000174634835 565648506 /nfs/dbraw/zinc/64/85/06/565648506.db2.gz DVIHEBXQTJQRSU-UHFFFAOYSA-N -1 3 380.535 3.030 20 0 GGADHM O=C([N-]c1cnns1)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000192007251 565649479 /nfs/dbraw/zinc/64/94/79/565649479.db2.gz NBVNYIVLGMGGAG-UHFFFAOYSA-N -1 3 378.885 3.148 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000174671552 565651085 /nfs/dbraw/zinc/65/10/85/565651085.db2.gz LYNDDXRYJSKKSM-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000192040226 565652316 /nfs/dbraw/zinc/65/23/16/565652316.db2.gz NGENJWZVEHSFSW-UHFFFAOYSA-N -1 3 399.303 3.265 20 0 GGADHM COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000192046775 565652808 /nfs/dbraw/zinc/65/28/08/565652808.db2.gz FZGXFRNQYNJYNT-UHFFFAOYSA-N -1 3 387.194 3.102 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000174726436 565653486 /nfs/dbraw/zinc/65/34/86/565653486.db2.gz WNSLEGVYRXYYGP-SNVBAGLBSA-N -1 3 380.853 3.346 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000174726424 565653689 /nfs/dbraw/zinc/65/36/89/565653689.db2.gz WNSLEGVYRXYYGP-JTQLQIEISA-N -1 3 380.853 3.346 20 0 GGADHM O=C([N-]c1cnns1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000192063808 565654696 /nfs/dbraw/zinc/65/46/96/565654696.db2.gz DJJLAEHJAQIWAC-UHFFFAOYSA-N -1 3 399.303 3.412 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(F)cc1I)c1ccccc1 ZINC000174766300 565657347 /nfs/dbraw/zinc/65/73/47/565657347.db2.gz PZTJGSPYPMKARD-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM CO[C@@]1(C)C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000174824465 565661318 /nfs/dbraw/zinc/66/13/18/565661318.db2.gz IKGYKZWVPZJPLV-QAPCUYQASA-N -1 3 393.281 3.224 20 0 GGADHM CO[C@]1(C)C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000174824457 565661386 /nfs/dbraw/zinc/66/13/86/565661386.db2.gz IKGYKZWVPZJPLV-MAUKXSAKSA-N -1 3 393.281 3.224 20 0 GGADHM O=C1CCc2cc(Br)c(S(=O)(=O)[N-]CC3CCCC3)cc2N1 ZINC000329334138 565663223 /nfs/dbraw/zinc/66/32/23/565663223.db2.gz NVERWFAMZQOFRT-UHFFFAOYSA-N -1 3 387.299 3.452 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000174878517 565664258 /nfs/dbraw/zinc/66/42/58/565664258.db2.gz GGFOPMGCVVBZPS-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000174883071 565664296 /nfs/dbraw/zinc/66/42/96/565664296.db2.gz RPDAHBQKOHASEV-CYBMUJFWSA-N -1 3 393.212 3.285 20 0 GGADHM O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1cc(F)ccc1[O-] ZINC000174878380 565664882 /nfs/dbraw/zinc/66/48/82/565664882.db2.gz SFLBEGPMQNBTTE-UHFFFAOYSA-N -1 3 399.191 3.192 20 0 GGADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329407871 565666470 /nfs/dbraw/zinc/66/64/70/565666470.db2.gz CIDBWFCKGFSKRD-GZMMTYOYSA-N -1 3 388.276 3.077 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1ccc(Cl)c(Br)c1 ZINC000192184549 565667190 /nfs/dbraw/zinc/66/71/90/565667190.db2.gz WEELKUUUFKBFDM-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)cc1OC ZINC000410168290 565667907 /nfs/dbraw/zinc/66/79/07/565667907.db2.gz ZKGVBSBSEWWGDN-GHMZBOCLSA-N -1 3 399.843 3.186 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@]12CCCO2 ZINC000329509198 565668171 /nfs/dbraw/zinc/66/81/71/565668171.db2.gz JOZNEOMFSGNWSP-ARFHVFGLSA-N -1 3 394.320 3.139 20 0 GGADHM CC(C)CO[N-]C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000280357118 565668621 /nfs/dbraw/zinc/66/86/21/565668621.db2.gz BMQMMRNWACJOKR-UHFFFAOYSA-N -1 3 384.274 3.394 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1Br ZINC000410172438 565669199 /nfs/dbraw/zinc/66/91/99/565669199.db2.gz CIGANKDVUFGRJN-GHMZBOCLSA-N -1 3 384.242 3.278 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000174959121 565669695 /nfs/dbraw/zinc/66/96/95/565669695.db2.gz ULFXBOKNEKLGED-CYBMUJFWSA-N -1 3 380.564 3.246 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cn1 ZINC000192208239 565670331 /nfs/dbraw/zinc/67/03/31/565670331.db2.gz HZFXOJJWNMYEKU-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Cl)c(Br)c1 ZINC000192225136 565671815 /nfs/dbraw/zinc/67/18/15/565671815.db2.gz KJUQPICFVFKCFS-HONMWMINSA-N -1 3 394.718 3.338 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c1 ZINC000175002850 565672451 /nfs/dbraw/zinc/67/24/51/565672451.db2.gz DMXFBILCIHFXLS-INIZCTEOSA-N -1 3 376.507 3.064 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000192229929 565672441 /nfs/dbraw/zinc/67/24/41/565672441.db2.gz FDDQAIBJXFCWAA-IINYFYTJSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@H](C)O1 ZINC000192228093 565672754 /nfs/dbraw/zinc/67/27/54/565672754.db2.gz FUCCFGGQSGWDBW-IUCAKERBSA-N -1 3 382.707 3.337 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)s1 ZINC000329639334 565674057 /nfs/dbraw/zinc/67/40/57/565674057.db2.gz WNEFBQIFKRXRKC-PWSUYJOCSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@]3(C)CCO[C@H]3C3CC3)s2)cs1 ZINC000329659806 565675762 /nfs/dbraw/zinc/67/57/62/565675762.db2.gz OFMHKAYPHYJGKN-JKSUJKDBSA-N -1 3 384.548 3.416 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410329251 565677886 /nfs/dbraw/zinc/67/78/86/565677886.db2.gz RFBLMTHTCJOQCN-SSDOTTSWSA-N -1 3 390.248 3.428 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(C(F)(F)F)s1 ZINC000329742850 565678057 /nfs/dbraw/zinc/67/80/57/565678057.db2.gz PSMXJSVSKIZVJM-OASPWFOLSA-N -1 3 381.441 3.393 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Cl)cc1Br ZINC000329767604 565679339 /nfs/dbraw/zinc/67/93/39/565679339.db2.gz ZTPCGMULARAELF-RAIGVLPGSA-N -1 3 394.718 3.338 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000410362268 565679357 /nfs/dbraw/zinc/67/93/57/565679357.db2.gz UVJUOZUMVIFRAQ-UHFFFAOYSA-N -1 3 389.658 3.002 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1OC ZINC000410384433 565680560 /nfs/dbraw/zinc/68/05/60/565680560.db2.gz SFBBRLCMGIQYQP-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410381115 565680837 /nfs/dbraw/zinc/68/08/37/565680837.db2.gz HZIGSJJDABQUDB-UHFFFAOYSA-N -1 3 387.244 3.096 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)c1 ZINC000410397758 565683423 /nfs/dbraw/zinc/68/34/23/565683423.db2.gz JQUXRJLQRDFANT-UHFFFAOYSA-N -1 3 383.267 3.142 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c(=O)[nH]1 ZINC000410397512 565683465 /nfs/dbraw/zinc/68/34/65/565683465.db2.gz FYQPGCQFHXXODQ-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(Cl)c1 ZINC000192363122 565683556 /nfs/dbraw/zinc/68/35/56/565683556.db2.gz CJZPXYMBKGFMCC-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2cccs2)c1 ZINC000175192049 565683706 /nfs/dbraw/zinc/68/37/06/565683706.db2.gz DVGKQAUFXPNLNQ-UHFFFAOYSA-N -1 3 376.297 3.040 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(Cl)ccc1OCC1CCC1 ZINC000329902068 565684287 /nfs/dbraw/zinc/68/42/87/565684287.db2.gz PCUCNOKDSHDPLH-INMHGKMJSA-N -1 3 385.913 3.365 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)ccc2N1 ZINC000410417187 565684342 /nfs/dbraw/zinc/68/43/42/565684342.db2.gz GTUMVMFSIHWLRY-UHFFFAOYSA-N -1 3 375.208 3.428 20 0 GGADHM Cc1nc(NC(=O)[C@H](C)N2CCCCCC2)sc1-c1n[n-]c(=S)n1C ZINC000175207307 565684763 /nfs/dbraw/zinc/68/47/63/565684763.db2.gz KOVHTORKOGODCC-NSHDSACASA-N -1 3 380.543 3.113 20 0 GGADHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280618430 565684965 /nfs/dbraw/zinc/68/49/65/565684965.db2.gz RILYCPJPTINHIV-LBPRGKRZSA-N -1 3 378.256 3.222 20 0 GGADHM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@H](C)C2CCN(C)CC2)s[n-]1 ZINC000329918187 565685416 /nfs/dbraw/zinc/68/54/16/565685416.db2.gz FWIGDFFDDVKHOP-GFCCVEGCSA-N -1 3 379.555 3.191 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)s1 ZINC000329912597 565685793 /nfs/dbraw/zinc/68/57/93/565685793.db2.gz OIYGXHSTZMNHQO-YUSALJHKSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1[C@H](C)O ZINC000280637976 565686195 /nfs/dbraw/zinc/68/61/95/565686195.db2.gz UOOIXADMPSRCJB-VIFPVBQESA-N -1 3 393.267 3.368 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000329912595 565686117 /nfs/dbraw/zinc/68/61/17/565686117.db2.gz OIYGXHSTZMNHQO-MVWJERBFSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000329912596 565686155 /nfs/dbraw/zinc/68/61/55/565686155.db2.gz OIYGXHSTZMNHQO-WCQGTBRESA-N -1 3 380.329 3.055 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c1 ZINC000175232963 565687071 /nfs/dbraw/zinc/68/70/71/565687071.db2.gz PIZWWNHMBSOLBQ-GFCCVEGCSA-N -1 3 382.279 3.076 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(SC)CCOCC2)c1 ZINC000280650973 565687115 /nfs/dbraw/zinc/68/71/15/565687115.db2.gz FLQFOBAUTDYZED-UHFFFAOYSA-N -1 3 391.942 3.123 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000175259703 565688463 /nfs/dbraw/zinc/68/84/63/565688463.db2.gz JICLRKBCPFSWBT-KGLIPLIRSA-N -1 3 386.583 3.310 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)C2CCCCC2)s1 ZINC000175259683 565688493 /nfs/dbraw/zinc/68/84/93/565688493.db2.gz JICLRKBCPFSWBT-UONOGXRCSA-N -1 3 386.583 3.310 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c1 ZINC000175271913 565689020 /nfs/dbraw/zinc/68/90/20/565689020.db2.gz ZUPTUFWNLRIRJW-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](SC)C2)c1 ZINC000175292697 565691817 /nfs/dbraw/zinc/69/18/17/565691817.db2.gz FGRNLFQVFBDVDL-PWSUYJOCSA-N -1 3 394.356 3.410 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc2c1OCCO2 ZINC000330103462 565692166 /nfs/dbraw/zinc/69/21/66/565692166.db2.gz GVEATECOXOQZHA-VXGBXAGGSA-N -1 3 379.400 3.105 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C)o1 ZINC000175349424 565695159 /nfs/dbraw/zinc/69/51/59/565695159.db2.gz KCUTVQUERBHWAX-ZDUSSCGKSA-N -1 3 379.356 3.153 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C)c1ccc(C)o1 ZINC000175350766 565695378 /nfs/dbraw/zinc/69/53/78/565695378.db2.gz MREVKJJBMQZDSY-ZDUSSCGKSA-N -1 3 388.283 3.325 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCN4CCCC[C@H]34)s2)cs1 ZINC000330160818 565695689 /nfs/dbraw/zinc/69/56/89/565695689.db2.gz RJCCWMWILAPDTM-TZMCWYRMSA-N -1 3 383.564 3.085 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCN4CCCC[C@@H]34)s2)cs1 ZINC000330160816 565696231 /nfs/dbraw/zinc/69/62/31/565696231.db2.gz RJCCWMWILAPDTM-JSGCOSHPSA-N -1 3 383.564 3.085 20 0 GGADHM CCOc1cc(C(=O)[N-]c2cc(C(=O)OC)c(Br)cc2C)on1 ZINC000410859159 565698504 /nfs/dbraw/zinc/69/85/04/565698504.db2.gz GDZVLAKBGYJABD-UHFFFAOYSA-N -1 3 383.198 3.183 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)ccc1Br ZINC000330262740 565699167 /nfs/dbraw/zinc/69/91/67/565699167.db2.gz VNGOJCLVMMKJNA-CYZMBNFOSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc([O-])c1 ZINC000192576460 565700669 /nfs/dbraw/zinc/70/06/69/565700669.db2.gz HANZUSRDYSADFZ-UHFFFAOYSA-N -1 3 377.238 3.174 20 0 GGADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000280864059 565701273 /nfs/dbraw/zinc/70/12/73/565701273.db2.gz DDHILGDXLOQZIR-JSGCOSHPSA-N -1 3 390.292 3.018 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1Br ZINC000280867108 565701490 /nfs/dbraw/zinc/70/14/90/565701490.db2.gz DHZYIQPXAMMVBK-LLVKDONJSA-N -1 3 394.718 3.483 20 0 GGADHM CC(C)C1(CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000175490146 565702679 /nfs/dbraw/zinc/70/26/79/565702679.db2.gz MJBIDQKGZLXCOH-UHFFFAOYSA-N -1 3 398.575 3.454 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1OC ZINC000330391767 565704292 /nfs/dbraw/zinc/70/42/92/565704292.db2.gz AAYPWSPUFYYGHZ-LLVKDONJSA-N -1 3 376.425 3.221 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2scnc2C(C)(C)C)c1 ZINC000175526219 565704981 /nfs/dbraw/zinc/70/49/81/565704981.db2.gz PEPAUMXNGSFLLH-UHFFFAOYSA-N -1 3 385.486 3.082 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000330426439 565706181 /nfs/dbraw/zinc/70/61/81/565706181.db2.gz FAUFYLSDJSCISI-VIFPVBQESA-N -1 3 378.778 3.421 20 0 GGADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000330491764 565708943 /nfs/dbraw/zinc/70/89/43/565708943.db2.gz OIVFVUXJCWQXAZ-NWDGAFQWSA-N -1 3 383.286 3.378 20 0 GGADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000330491765 565709128 /nfs/dbraw/zinc/70/91/28/565709128.db2.gz OIVFVUXJCWQXAZ-RYUDHWBXSA-N -1 3 383.286 3.378 20 0 GGADHM Cc1c(Cl)cccc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000192771545 565709890 /nfs/dbraw/zinc/70/98/90/565709890.db2.gz DWUABXUFZFLBEP-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000175636996 565712276 /nfs/dbraw/zinc/71/22/76/565712276.db2.gz AXDVFLWJIFCOBF-QRQYBIJMSA-N -1 3 384.350 3.352 20 0 GGADHM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000175613427 565712623 /nfs/dbraw/zinc/71/26/23/565712623.db2.gz LWIHOULJUULGKX-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000175630461 565712629 /nfs/dbraw/zinc/71/26/29/565712629.db2.gz PICLAPBXULQUFB-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1c(C)noc1C ZINC000192824082 565712782 /nfs/dbraw/zinc/71/27/82/565712782.db2.gz FZGXXKCMWWCYLF-LBPRGKRZSA-N -1 3 388.873 3.392 20 0 GGADHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000175639026 565713380 /nfs/dbraw/zinc/71/33/80/565713380.db2.gz QJIXJTKGGQSMPW-WIFINTHYSA-N -1 3 384.350 3.352 20 0 GGADHM O=S(=O)([N-]C1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1)c1cccs1 ZINC000411135186 565713932 /nfs/dbraw/zinc/71/39/32/565713932.db2.gz HIEYNTPONLHQCI-DLBZAZTESA-N -1 3 380.510 3.186 20 0 GGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000330611739 565714165 /nfs/dbraw/zinc/71/41/65/565714165.db2.gz QITDAQJOYLHMGE-UHFFFAOYSA-N -1 3 380.293 3.394 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000281153154 565714085 /nfs/dbraw/zinc/71/40/85/565714085.db2.gz KUAMKJOZRDYULT-MRVPVSSYSA-N -1 3 383.779 3.323 20 0 GGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330634250 565715562 /nfs/dbraw/zinc/71/55/62/565715562.db2.gz LDRPZVVAGKCPRQ-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000330631992 565715607 /nfs/dbraw/zinc/71/56/07/565715607.db2.gz GZLWSACMBDBQSS-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000330631990 565715927 /nfs/dbraw/zinc/71/59/27/565715927.db2.gz GZLWSACMBDBQSS-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c(Cl)c1Cl ZINC000330641307 565716699 /nfs/dbraw/zinc/71/66/99/565716699.db2.gz XBCLMKAOLCOUAS-ZYHUDNBSSA-N -1 3 382.309 3.484 20 0 GGADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1[O-] ZINC000411172904 565716859 /nfs/dbraw/zinc/71/68/59/565716859.db2.gz KCQDXSIFAMRROF-UHFFFAOYSA-N -1 3 378.881 3.268 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c(Cl)c1Cl ZINC000330641301 565717203 /nfs/dbraw/zinc/71/72/03/565717203.db2.gz XBCLMKAOLCOUAS-CMPLNLGQSA-N -1 3 382.309 3.484 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000175693634 565718488 /nfs/dbraw/zinc/71/84/88/565718488.db2.gz FJKMQACZOAUATH-UWVGGRQHSA-N -1 3 390.889 3.085 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cn[nH]c1 ZINC000192906999 565718644 /nfs/dbraw/zinc/71/86/44/565718644.db2.gz YPRAQYRVWNSVSG-UHFFFAOYSA-N -1 3 376.825 3.116 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCOc3cc(Cl)c(Cl)cc32)c(=O)[n-]1 ZINC000281227550 565718740 /nfs/dbraw/zinc/71/87/40/565718740.db2.gz OXHYMURSVNKBHZ-UHFFFAOYSA-N -1 3 382.247 3.464 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000192927528 565719858 /nfs/dbraw/zinc/71/98/58/565719858.db2.gz HDERIRAWHHVABV-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)CCO1 ZINC000330742527 565721337 /nfs/dbraw/zinc/72/13/37/565721337.db2.gz QPTHESZOQNTBGD-ZFWWWQNUSA-N -1 3 391.331 3.106 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330792184 565722551 /nfs/dbraw/zinc/72/25/51/565722551.db2.gz BUEYEHXAFSLAKR-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1C(F)(F)F ZINC000175773826 565723527 /nfs/dbraw/zinc/72/35/27/565723527.db2.gz WYJBGHMVLLOUBO-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330839455 565724679 /nfs/dbraw/zinc/72/46/79/565724679.db2.gz LTBZJSATXQXTDN-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)o1)c1nc(C)cs1 ZINC000330840733 565725392 /nfs/dbraw/zinc/72/53/92/565725392.db2.gz ZOBBUZBTKDJLAU-GFCCVEGCSA-N -1 3 379.301 3.411 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330861388 565726047 /nfs/dbraw/zinc/72/60/47/565726047.db2.gz WQWNYGNPCNYZGY-RNCFNFMXSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)oc1C ZINC000175831371 565726061 /nfs/dbraw/zinc/72/60/61/565726061.db2.gz VMBVSKLBNCMDAV-VIFPVBQESA-N -1 3 386.495 3.168 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330861390 565726635 /nfs/dbraw/zinc/72/66/35/565726635.db2.gz WQWNYGNPCNYZGY-TVQRCGJNSA-N -1 3 384.723 3.178 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2nccn2C(F)F)cc1Cl ZINC000175836796 565727031 /nfs/dbraw/zinc/72/70/31/565727031.db2.gz FLKZFLHHAHIFOQ-UHFFFAOYSA-N -1 3 386.207 3.072 20 0 GGADHM Cc1c(Br)cccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000175857576 565728228 /nfs/dbraw/zinc/72/82/28/565728228.db2.gz INDYCECGPYRJDY-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1noc(Cc2ccccc2)n1 ZINC000175880644 565730873 /nfs/dbraw/zinc/73/08/73/565730873.db2.gz FICCLZOTCGVRPQ-LBPRGKRZSA-N -1 3 377.853 3.353 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2sccc2Br)s1 ZINC000175890332 565732439 /nfs/dbraw/zinc/73/24/39/565732439.db2.gz LQUYKSDECPZKKL-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccncc1C(F)(F)F ZINC000193114883 565733467 /nfs/dbraw/zinc/73/34/67/565733467.db2.gz VYDMZKBNCGLWHA-UHFFFAOYSA-N -1 3 375.144 3.499 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C1CCOCC1 ZINC000330978838 565733816 /nfs/dbraw/zinc/73/38/16/565733816.db2.gz IFLIWVVFFHWGBS-NSHDSACASA-N -1 3 382.309 3.486 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CCOCC1 ZINC000331000034 565734680 /nfs/dbraw/zinc/73/46/80/565734680.db2.gz QAUJXMOURSCOSM-AWEZNQCLSA-N -1 3 380.279 3.072 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3cccs3)c2)c(C)o1 ZINC000175936832 565734511 /nfs/dbraw/zinc/73/45/11/565734511.db2.gz JBNPVSCYJBSSIH-UHFFFAOYSA-N -1 3 376.459 3.477 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000331037803 565736883 /nfs/dbraw/zinc/73/68/83/565736883.db2.gz ARHVFVIEAXJEJW-YNEHKIRRSA-N -1 3 388.555 3.153 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1Cl ZINC000281673336 565742033 /nfs/dbraw/zinc/74/20/33/565742033.db2.gz OEBNFIPVDYDMIU-RISCZKNCSA-N -1 3 382.334 3.326 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccccc2Br)c(=O)[n-]1 ZINC000193270006 565742315 /nfs/dbraw/zinc/74/23/15/565742315.db2.gz CZAOZXKPGVPISH-GFCCVEGCSA-N -1 3 392.297 3.301 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000331190418 565744376 /nfs/dbraw/zinc/74/43/76/565744376.db2.gz WKLXLGZBUZHTTA-RYUDHWBXSA-N -1 3 377.503 3.186 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccoc2Br)CC1 ZINC000193361635 565746725 /nfs/dbraw/zinc/74/67/25/565746725.db2.gz IFUMXNKYOBRFCH-UHFFFAOYSA-N -1 3 393.237 3.239 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)c(C)o1 ZINC000176086240 565747534 /nfs/dbraw/zinc/74/75/34/565747534.db2.gz WAQOPZAMWJQNGM-MRXNPFEDSA-N -1 3 384.885 3.277 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000331264756 565750400 /nfs/dbraw/zinc/75/04/00/565750400.db2.gz GQFVFMGSNCXWEQ-NWDGAFQWSA-N -1 3 377.915 3.079 20 0 GGADHM NC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000331288137 565751509 /nfs/dbraw/zinc/75/15/09/565751509.db2.gz NKDBRPCAUDAUHI-UHFFFAOYSA-N -1 3 395.706 3.475 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CNC2)c1c(Cl)cccc1C(F)(F)F ZINC000193433485 565751780 /nfs/dbraw/zinc/75/17/80/565751780.db2.gz HABJTRUWMBHDLQ-UHFFFAOYSA-N -1 3 390.814 3.441 20 0 GGADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000176132182 565752369 /nfs/dbraw/zinc/75/23/69/565752369.db2.gz ZWVFMWRCPYWDMQ-GFCCVEGCSA-N -1 3 378.881 3.195 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000193447835 565752468 /nfs/dbraw/zinc/75/24/68/565752468.db2.gz HKDFBUQCDZWJDH-LBPRGKRZSA-N -1 3 382.279 3.076 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Br)c(F)c1 ZINC000176144826 565753609 /nfs/dbraw/zinc/75/36/09/565753609.db2.gz PORULXJXKIVCHU-UHFFFAOYSA-N -1 3 396.260 3.207 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CCCC(F)(F)C1 ZINC000281920054 565756443 /nfs/dbraw/zinc/75/64/43/565756443.db2.gz NXBUJIQIIBRRNT-JTQLQIEISA-N -1 3 376.400 3.030 20 0 GGADHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000176200132 565757328 /nfs/dbraw/zinc/75/73/28/565757328.db2.gz PDWYMVXHDDJWOH-UHFFFAOYSA-N -1 3 382.580 3.403 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@H](c3cccc(Br)c3)C2)on1 ZINC000331394428 565758421 /nfs/dbraw/zinc/75/84/21/565758421.db2.gz KBAWIVOMNWAJIY-WFASDCNBSA-N -1 3 394.269 3.146 20 0 GGADHM C[C@](O)(CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000281973303 565758412 /nfs/dbraw/zinc/75/84/12/565758412.db2.gz LIRBGFKKFJQBOC-HNNXBMFYSA-N -1 3 380.794 3.009 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000193531448 565759336 /nfs/dbraw/zinc/75/93/36/565759336.db2.gz CPTIAOFXRPSYJL-UHFFFAOYSA-N -1 3 398.271 3.329 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1Br ZINC000282020282 565760656 /nfs/dbraw/zinc/76/06/56/565760656.db2.gz QIRFZARPZININT-UHFFFAOYSA-N -1 3 393.734 3.008 20 0 GGADHM Cc1cc(Br)ccc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000176274976 565761614 /nfs/dbraw/zinc/76/16/14/565761614.db2.gz MFOSGUSTXYJORA-UHFFFAOYSA-N -1 3 392.297 3.377 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ncccc1Br ZINC000193597724 565765002 /nfs/dbraw/zinc/76/50/02/565765002.db2.gz JQYZXGZHKYOCKP-UHFFFAOYSA-N -1 3 386.043 3.242 20 0 GGADHM O=C(Cc1ccc(Cl)s1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000193680979 565769406 /nfs/dbraw/zinc/76/94/06/565769406.db2.gz NZSXVMFIHVXKLV-UHFFFAOYSA-N -1 3 388.873 3.163 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000176421984 565770641 /nfs/dbraw/zinc/77/06/41/565770641.db2.gz XDDZYTJJRXPJPS-ZDUSSCGKSA-N -1 3 394.591 3.416 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1 ZINC000282214646 565770856 /nfs/dbraw/zinc/77/08/56/565770856.db2.gz NEQAHBJPMTXZIK-UHFFFAOYSA-N -1 3 375.368 3.417 20 0 GGADHM O=C(CCc1nc(-c2ccco2)no1)Nc1cc(Br)ccc1[O-] ZINC000176437353 565771300 /nfs/dbraw/zinc/77/13/00/565771300.db2.gz IIHOBVCLBFVGHX-UHFFFAOYSA-N -1 3 378.182 3.369 20 0 GGADHM CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176438070 565771642 /nfs/dbraw/zinc/77/16/42/565771642.db2.gz ODRKOSVKCGQXOR-AWEZNQCLSA-N -1 3 381.226 3.141 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000176430784 565771932 /nfs/dbraw/zinc/77/19/32/565771932.db2.gz HDJCMMZSMVUMOK-LLVKDONJSA-N -1 3 379.185 3.358 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000282242689 565772000 /nfs/dbraw/zinc/77/20/00/565772000.db2.gz IMLBKDLTDOFBMI-UHFFFAOYSA-N -1 3 396.822 3.184 20 0 GGADHM Cc1ccc(CCC(=O)NCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176439200 565773064 /nfs/dbraw/zinc/77/30/64/565773064.db2.gz NVVHRQNLASXXHN-UHFFFAOYSA-N -1 3 391.265 3.151 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(C[S@](=O)c2ccccc2)c1 ZINC000176469970 565775587 /nfs/dbraw/zinc/77/55/87/565775587.db2.gz HNMLDLAKJBBEBV-DEOSSOPVSA-N -1 3 381.519 3.161 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCC12CCOCC2 ZINC000282358908 565776244 /nfs/dbraw/zinc/77/62/44/565776244.db2.gz BBNFUKLYMLAFGB-HNNXBMFYSA-N -1 3 383.286 3.303 20 0 GGADHM C[C@@H]1CCN(C(=O)CSc2n[n-]c(=S)s2)CCN1Cc1ccccc1 ZINC000176491217 565776861 /nfs/dbraw/zinc/77/68/61/565776861.db2.gz WJNNNUZGQAWLHS-CYBMUJFWSA-N -1 3 394.591 3.416 20 0 GGADHM Cc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1Br ZINC000176496503 565778475 /nfs/dbraw/zinc/77/84/75/565778475.db2.gz QLNQUIFNUZHLLK-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000282433866 565779383 /nfs/dbraw/zinc/77/93/83/565779383.db2.gz UPCFDPRJRDBHBQ-UHFFFAOYSA-N -1 3 396.822 3.184 20 0 GGADHM CCCOc1ccc(C(=O)N=c2[nH][n-]cc2Br)c(OC(C)C)c1 ZINC000412337781 565783018 /nfs/dbraw/zinc/78/30/18/565783018.db2.gz LZHXOYJVYMRGLC-UHFFFAOYSA-N -1 3 382.258 3.422 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1ccc(Br)s1 ZINC000193936949 565783354 /nfs/dbraw/zinc/78/33/54/565783354.db2.gz CTEFJBYAIADRGU-UHFFFAOYSA-N -1 3 398.307 3.175 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1ccc(Br)cc1Cl ZINC000193966993 565786367 /nfs/dbraw/zinc/78/63/67/565786367.db2.gz XGBQMKIVSZGAIC-UHFFFAOYSA-N -1 3 378.622 3.010 20 0 GGADHM Cc1cncc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000176588243 565787237 /nfs/dbraw/zinc/78/72/37/565787237.db2.gz NZJHCALRYPJVNF-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000331883012 565789008 /nfs/dbraw/zinc/78/90/08/565789008.db2.gz HVNRKJXKGASJAX-YYQUZTFQSA-N -1 3 396.325 3.485 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc(-c3cccs3)cs2)cc1S(=O)(=O)N(C)C ZINC000176629099 565789634 /nfs/dbraw/zinc/78/96/34/565789634.db2.gz SUFPZQITVASPAZ-UHFFFAOYSA-N -1 3 397.503 3.276 20 0 GGADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000331882999 565789810 /nfs/dbraw/zinc/78/98/10/565789810.db2.gz HVNRKJXKGASJAX-VZEFYGNVSA-N -1 3 396.325 3.485 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000194009859 565790371 /nfs/dbraw/zinc/79/03/71/565790371.db2.gz ADHCTBITDOGLBB-UHFFFAOYSA-N -1 3 398.319 3.161 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Br)s1 ZINC000282643006 565790511 /nfs/dbraw/zinc/79/05/11/565790511.db2.gz OVAFWSUKMYALTK-LURJTMIESA-N -1 3 396.719 3.302 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CCOCC1 ZINC000282653869 565790960 /nfs/dbraw/zinc/79/09/60/565790960.db2.gz PKJGSQPRXROGQC-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM CCc1ccc(C(C)(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000176656109 565792091 /nfs/dbraw/zinc/79/20/91/565792091.db2.gz HXWSQPJAJZVAIZ-ZDUSSCGKSA-N -1 3 380.535 3.029 20 0 GGADHM Cc1ocnc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000282770219 565796256 /nfs/dbraw/zinc/79/62/56/565796256.db2.gz XMAHNUIQURJTRH-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM COc1ccc(NCc2cc(Cl)cc3c2OCC3)cc1[N-]S(C)(=O)=O ZINC000282784386 565797405 /nfs/dbraw/zinc/79/74/05/565797405.db2.gz LEFUMQAVNYJLFV-UHFFFAOYSA-N -1 3 382.869 3.267 20 0 GGADHM Cc1cc(Cc2cnc(NC(=O)c3cnn[n-]3)s2)ccc1Br ZINC000194189369 565799590 /nfs/dbraw/zinc/79/95/90/565799590.db2.gz PKAQTYNRXKJRQI-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM Cc1cc(Cc2cnc(NC(=O)c3c[n-]nn3)s2)ccc1Br ZINC000194189369 565799597 /nfs/dbraw/zinc/79/95/97/565799597.db2.gz PKAQTYNRXKJRQI-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM Cc1cc(Cc2cnc(NC(=O)c3cn[n-]n3)s2)ccc1Br ZINC000194189369 565799599 /nfs/dbraw/zinc/79/95/99/565799599.db2.gz PKAQTYNRXKJRQI-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000282834971 565799685 /nfs/dbraw/zinc/79/96/85/565799685.db2.gz VRXQUORHPKQQMR-CYBMUJFWSA-N -1 3 393.818 3.448 20 0 GGADHM CCC[C@@]1(CO)CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332032733 565800362 /nfs/dbraw/zinc/80/03/62/565800362.db2.gz VMRYRSWWQAOZLO-SFHVURJKSA-N -1 3 393.281 3.058 20 0 GGADHM CCC[C@@]1(CO)CCCN1C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000332032733 565800366 /nfs/dbraw/zinc/80/03/66/565800366.db2.gz VMRYRSWWQAOZLO-SFHVURJKSA-N -1 3 393.281 3.058 20 0 GGADHM CSC[C@H]1CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332025906 565801056 /nfs/dbraw/zinc/80/10/56/565801056.db2.gz TZHZIQBYMFWAAA-LLVKDONJSA-N -1 3 381.295 3.258 20 0 GGADHM CCOc1cc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cc(Cl)c1[O-] ZINC000332074275 565804224 /nfs/dbraw/zinc/80/42/24/565804224.db2.gz FASMGZHNOZBFOC-GOEBONIOSA-N -1 3 384.929 3.096 20 0 GGADHM CCOc1cc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cc(Cl)c1[O-] ZINC000332074274 565804341 /nfs/dbraw/zinc/80/43/41/565804341.db2.gz FASMGZHNOZBFOC-GDBMZVCRSA-N -1 3 384.929 3.096 20 0 GGADHM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc([O-])c2)ccc1Cl ZINC000194261438 565804981 /nfs/dbraw/zinc/80/49/81/565804981.db2.gz NESAGKUCAFUJQW-UHFFFAOYSA-N -1 3 382.869 3.328 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]Cc2ccco2)cc1Cl ZINC000176811506 565804992 /nfs/dbraw/zinc/80/49/92/565804992.db2.gz MSLGZRUBRWDSDO-UHFFFAOYSA-N -1 3 380.647 3.183 20 0 GGADHM O=C(NCC1CCCC1)c1c[n-]c2ccc(I)cc2c1=O ZINC000332106327 565805808 /nfs/dbraw/zinc/80/58/08/565805808.db2.gz HWEGRSJCZQAPQB-UHFFFAOYSA-N -1 3 396.228 3.053 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)N1CCCCC1 ZINC000176839123 565807498 /nfs/dbraw/zinc/80/74/98/565807498.db2.gz CLAYEQVBPHITBR-NSHDSACASA-N -1 3 386.926 3.234 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCOC1 ZINC000332136719 565808198 /nfs/dbraw/zinc/80/81/98/565808198.db2.gz KOKGOFVJKAUMSC-RKDXNWHRSA-N -1 3 399.672 3.099 20 0 GGADHM C[C@@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@@H]1CCOC1 ZINC000332136719 565808204 /nfs/dbraw/zinc/80/82/04/565808204.db2.gz KOKGOFVJKAUMSC-RKDXNWHRSA-N -1 3 399.672 3.099 20 0 GGADHM C[C@@]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)(C(N)=O)c1ccccc1 ZINC000176860663 565809164 /nfs/dbraw/zinc/80/91/64/565809164.db2.gz RRMLVHWHRKKHIH-KRWDZBQOSA-N -1 3 394.905 3.234 20 0 GGADHM C[C@@]1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCO1 ZINC000332152382 565810189 /nfs/dbraw/zinc/81/01/89/565810189.db2.gz SPMWYHCEROQCRI-INIZCTEOSA-N -1 3 399.672 3.243 20 0 GGADHM C[C@@]1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCCO1 ZINC000332152382 565810196 /nfs/dbraw/zinc/81/01/96/565810196.db2.gz SPMWYHCEROQCRI-INIZCTEOSA-N -1 3 399.672 3.243 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2C)s1 ZINC000176868410 565810226 /nfs/dbraw/zinc/81/02/26/565810226.db2.gz YPSLOGBYJHPVQK-UHFFFAOYSA-N -1 3 387.914 3.029 20 0 GGADHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194779723 565836950 /nfs/dbraw/zinc/83/69/50/565836950.db2.gz VNUBGUBYNDVDCY-SSDOTTSWSA-N -1 3 392.262 3.498 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(C)nc2)sc1Br ZINC000176914845 565814292 /nfs/dbraw/zinc/81/42/92/565814292.db2.gz FOQSVLRVHRSXPH-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CSc1ccccc1[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000283302555 565814430 /nfs/dbraw/zinc/81/44/30/565814430.db2.gz NLEAXOOACDUATP-GFCCVEGCSA-N -1 3 384.548 3.016 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cn1)C1CC1 ZINC000194568707 565823076 /nfs/dbraw/zinc/82/30/76/565823076.db2.gz AUJDGFVEZSYAMV-UHFFFAOYSA-N -1 3 383.832 3.165 20 0 GGADHM O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1ccc2n[n-]nc2c1 ZINC000194559943 565823339 /nfs/dbraw/zinc/82/33/39/565823339.db2.gz SNIBLYCYDVMNRB-UHFFFAOYSA-N -1 3 389.238 3.424 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000194565788 565823521 /nfs/dbraw/zinc/82/35/21/565823521.db2.gz CXCWDSYVWRSYFU-UHFFFAOYSA-N -1 3 375.780 3.347 20 0 GGADHM CC1(C)CC=C(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000332260803 565823556 /nfs/dbraw/zinc/82/35/56/565823556.db2.gz GGDUNMMVGVTVOA-UHFFFAOYSA-N -1 3 382.551 3.154 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1OC ZINC000283613200 565823801 /nfs/dbraw/zinc/82/38/01/565823801.db2.gz NNCMIDUDPMUTEC-UHFFFAOYSA-N -1 3 388.898 3.353 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c(Br)c1 ZINC000194598683 565825598 /nfs/dbraw/zinc/82/55/98/565825598.db2.gz NMRCUKYNDBMECW-UHFFFAOYSA-N -1 3 397.294 3.260 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccnc(C(F)(F)F)c2)CC1)c1cccs1 ZINC000283667915 565825899 /nfs/dbraw/zinc/82/58/99/565825899.db2.gz WMPMCSUKXQPYFF-UHFFFAOYSA-N -1 3 391.440 3.109 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194611097 565826526 /nfs/dbraw/zinc/82/65/26/565826526.db2.gz HQHLNBKPPCGQEN-UHFFFAOYSA-N -1 3 377.331 3.474 20 0 GGADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000194624961 565827546 /nfs/dbraw/zinc/82/75/46/565827546.db2.gz NFXSOOSYFYYJBJ-UHFFFAOYSA-N -1 3 380.832 3.310 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1ccc(Cl)cc1Br ZINC000332311871 565827633 /nfs/dbraw/zinc/82/76/33/565827633.db2.gz KNRIEPNGOKFTCO-VXGBXAGGSA-N -1 3 382.707 3.074 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000194642842 565827692 /nfs/dbraw/zinc/82/76/92/565827692.db2.gz OJALKRLMJHGKAI-UHFFFAOYSA-N -1 3 375.780 3.347 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000194643903 565827820 /nfs/dbraw/zinc/82/78/20/565827820.db2.gz RLVIBQLMQPDCHV-UHFFFAOYSA-N -1 3 391.251 3.434 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000194644015 565827869 /nfs/dbraw/zinc/82/78/69/565827869.db2.gz MVALFORIDYBFQA-UHFFFAOYSA-N -1 3 391.251 3.434 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1cc(Cl)ccc1Br ZINC000332324536 565828708 /nfs/dbraw/zinc/82/87/08/565828708.db2.gz MVTNAIPYQQOKSG-VXGBXAGGSA-N -1 3 382.707 3.074 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C4CCOCC4)n3)[n-]2)c1 ZINC000283795451 565830072 /nfs/dbraw/zinc/83/00/72/565830072.db2.gz HCMFXZSCXBKNEL-UHFFFAOYSA-N -1 3 376.214 3.178 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C4CCOCC4)n3)n2)c1 ZINC000283795451 565830075 /nfs/dbraw/zinc/83/00/75/565830075.db2.gz HCMFXZSCXBKNEL-UHFFFAOYSA-N -1 3 376.214 3.178 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C4CCOCC4)n3)n[n-]2)c1 ZINC000283795451 565830078 /nfs/dbraw/zinc/83/00/78/565830078.db2.gz HCMFXZSCXBKNEL-UHFFFAOYSA-N -1 3 376.214 3.178 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000283798558 565830164 /nfs/dbraw/zinc/83/01/64/565830164.db2.gz GPROHLNCMWTEPA-UHFFFAOYSA-N -1 3 388.917 3.052 20 0 GGADHM CCOC(=O)C(=C([O-])CSc1ccc2n[nH]cc2c1)c1nc(C)cs1 ZINC000413026205 565830993 /nfs/dbraw/zinc/83/09/93/565830993.db2.gz TYYXJXAEYUEMCV-HNNXBMFYSA-N -1 3 375.475 3.336 20 0 GGADHM CO[C@@H](C)CCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000283806363 565831306 /nfs/dbraw/zinc/83/13/06/565831306.db2.gz IIHJEWLADSZOOI-VIFPVBQESA-N -1 3 378.230 3.252 20 0 GGADHM CO[C@@H](C)CCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000283806363 565831311 /nfs/dbraw/zinc/83/13/11/565831311.db2.gz IIHJEWLADSZOOI-VIFPVBQESA-N -1 3 378.230 3.252 20 0 GGADHM CO[C@@H](C)CCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000283806363 565831314 /nfs/dbraw/zinc/83/13/14/565831314.db2.gz IIHJEWLADSZOOI-VIFPVBQESA-N -1 3 378.230 3.252 20 0 GGADHM CO[C@@H](C)c1noc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)n1 ZINC000177194865 565835074 /nfs/dbraw/zinc/83/50/74/565835074.db2.gz OJNGWTYCPDLBMA-VIFPVBQESA-N -1 3 381.845 3.420 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc([C@H]4CCCOC4)n3)[n-]2)c1 ZINC000283933033 565835907 /nfs/dbraw/zinc/83/59/07/565835907.db2.gz NHFKDXCJNMXWEW-JTQLQIEISA-N -1 3 376.214 3.178 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@H]4CCCOC4)n3)n2)c1 ZINC000283933033 565835913 /nfs/dbraw/zinc/83/59/13/565835913.db2.gz NHFKDXCJNMXWEW-JTQLQIEISA-N -1 3 376.214 3.178 20 0 GGADHM Brc1cccc(-c2nc(-c3noc([C@H]4CCCOC4)n3)n[n-]2)c1 ZINC000283933033 565835920 /nfs/dbraw/zinc/83/59/20/565835920.db2.gz NHFKDXCJNMXWEW-JTQLQIEISA-N -1 3 376.214 3.178 20 0 GGADHM CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194779707 565837532 /nfs/dbraw/zinc/83/75/32/565837532.db2.gz VNUBGUBYNDVDCY-ZETCQYMHSA-N -1 3 392.262 3.498 20 0 GGADHM CC(C)OCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194803628 565838381 /nfs/dbraw/zinc/83/83/81/565838381.db2.gz WHJDVCKOYVCKQL-UHFFFAOYSA-N -1 3 390.221 3.171 20 0 GGADHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000194794230 565838654 /nfs/dbraw/zinc/83/86/54/565838654.db2.gz YLMSUJHBNZJCIT-UHFFFAOYSA-N -1 3 386.836 3.016 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000332464013 565839177 /nfs/dbraw/zinc/83/91/77/565839177.db2.gz LBVMCUPSIYKHJQ-NSHDSACASA-N -1 3 394.306 3.055 20 0 GGADHM CO[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1(C)C ZINC000332496281 565840448 /nfs/dbraw/zinc/84/04/48/565840448.db2.gz BXZXTMDIPZMKGK-OAHLLOKOSA-N -1 3 393.281 3.178 20 0 GGADHM OC1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCCC1 ZINC000284079243 565841263 /nfs/dbraw/zinc/84/12/63/565841263.db2.gz VCKSAZWFHXJQQB-UHFFFAOYSA-N -1 3 376.214 3.046 20 0 GGADHM OC1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCCC1 ZINC000284079243 565841266 /nfs/dbraw/zinc/84/12/66/565841266.db2.gz VCKSAZWFHXJQQB-UHFFFAOYSA-N -1 3 376.214 3.046 20 0 GGADHM OC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCC1 ZINC000284079243 565841270 /nfs/dbraw/zinc/84/12/70/565841270.db2.gz VCKSAZWFHXJQQB-UHFFFAOYSA-N -1 3 376.214 3.046 20 0 GGADHM Cc1cccc([O-])c1NC(=O)COc1cccc(I)c1 ZINC000194831246 565842060 /nfs/dbraw/zinc/84/20/60/565842060.db2.gz CBJORLHZXNYBJQ-UHFFFAOYSA-N -1 3 383.185 3.323 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000194842066 565842069 /nfs/dbraw/zinc/84/20/69/565842069.db2.gz JIPWPFAHBHNKCH-SNVBAGLBSA-N -1 3 390.889 3.039 20 0 GGADHM CCC(=O)[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332537440 565842655 /nfs/dbraw/zinc/84/26/55/565842655.db2.gz YVPRLASKGQQGQH-HNNXBMFYSA-N -1 3 391.265 3.264 20 0 GGADHM CCC(=O)[C@@H]1CCCCN1C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000332537440 565842658 /nfs/dbraw/zinc/84/26/58/565842658.db2.gz YVPRLASKGQQGQH-HNNXBMFYSA-N -1 3 391.265 3.264 20 0 GGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@@H](C(N)=O)C1 ZINC000332536740 565842700 /nfs/dbraw/zinc/84/27/00/565842700.db2.gz YTBCLCWXWUWNSS-YMTOWFKASA-N -1 3 392.253 3.067 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2[O-])[C@@H](C(N)=O)C1 ZINC000332536740 565842704 /nfs/dbraw/zinc/84/27/04/565842704.db2.gz YTBCLCWXWUWNSS-YMTOWFKASA-N -1 3 392.253 3.067 20 0 GGADHM NC(=O)C[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000332530513 565842819 /nfs/dbraw/zinc/84/28/19/565842819.db2.gz VEOMPGXGIUUNJF-SNVBAGLBSA-N -1 3 392.253 3.068 20 0 GGADHM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332535619 565842906 /nfs/dbraw/zinc/84/29/06/565842906.db2.gz VAJANPFJDCBDCD-DGCLKSJQSA-N -1 3 393.281 3.056 20 0 GGADHM CO[C@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000332531614 565843014 /nfs/dbraw/zinc/84/30/14/565843014.db2.gz GHACJGRCRYMJCQ-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM CO[C@H]1CCCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000332531614 565843021 /nfs/dbraw/zinc/84/30/21/565843021.db2.gz GHACJGRCRYMJCQ-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3c(C)ccnc3Cl)cc2)CC1 ZINC000284139860 565843587 /nfs/dbraw/zinc/84/35/87/565843587.db2.gz QUAZCXSUNRXORQ-UHFFFAOYSA-N -1 3 380.853 3.049 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000332585199 565845014 /nfs/dbraw/zinc/84/50/14/565845014.db2.gz HHPGLBCNFCAHNJ-HIFRSBDPSA-N -1 3 386.514 3.053 20 0 GGADHM CC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCOCC1 ZINC000332581176 565845055 /nfs/dbraw/zinc/84/50/55/565845055.db2.gz FTOLEGGTRGYOAT-UHFFFAOYSA-N -1 3 399.672 3.243 20 0 GGADHM CC1(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCOCC1 ZINC000332581176 565845056 /nfs/dbraw/zinc/84/50/56/565845056.db2.gz FTOLEGGTRGYOAT-UHFFFAOYSA-N -1 3 399.672 3.243 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000332570289 565845310 /nfs/dbraw/zinc/84/53/10/565845310.db2.gz YVQYFXPCHZKVSA-UHFFFAOYSA-N -1 3 386.304 3.336 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC=CCC1 ZINC000332599554 565846215 /nfs/dbraw/zinc/84/62/15/565846215.db2.gz MXJNJHJFLWVDPY-MRXNPFEDSA-N -1 3 399.310 3.111 20 0 GGADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)c1cccnc1 ZINC000413387527 565848756 /nfs/dbraw/zinc/84/87/56/565848756.db2.gz OIAVOMCVUWOIOV-UHFFFAOYSA-N -1 3 378.270 3.327 20 0 GGADHM COC1CCC(N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000332636981 565850152 /nfs/dbraw/zinc/85/01/52/565850152.db2.gz WCBVGLOYGKZOLC-UHFFFAOYSA-N -1 3 393.281 3.320 20 0 GGADHM O=S(=O)(CCC(F)(F)F)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000284390549 565851463 /nfs/dbraw/zinc/85/14/63/565851463.db2.gz SLQTYINTANKYRP-NEPJUHHUSA-N -1 3 375.771 3.181 20 0 GGADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCC(F)(F)F)n2)ccc1F ZINC000284452606 565853744 /nfs/dbraw/zinc/85/37/44/565853744.db2.gz XFRPNIPDUSIQJQ-SECBINFHSA-N -1 3 381.351 3.117 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)CSc2n[n-]c(=S)s2)CCN1Cc1ccccc1 ZINC000177476372 565854262 /nfs/dbraw/zinc/85/42/62/565854262.db2.gz VDSOCXDVTRISAO-JSGCOSHPSA-N -1 3 394.591 3.462 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(F)cc1Br ZINC000177544444 565858374 /nfs/dbraw/zinc/85/83/74/565858374.db2.gz SERGITZPUYLKIS-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)o1 ZINC000177609610 565863066 /nfs/dbraw/zinc/86/30/66/565863066.db2.gz BAXILSSHVRBOJR-UHFFFAOYSA-N -1 3 394.783 3.003 20 0 GGADHM CC(C)(O)CON=C([O-])Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000284645429 565863394 /nfs/dbraw/zinc/86/33/94/565863394.db2.gz PAGLTWUGDIAZKK-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000284645429 565863398 /nfs/dbraw/zinc/86/33/98/565863398.db2.gz PAGLTWUGDIAZKK-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000177634399 565864441 /nfs/dbraw/zinc/86/44/41/565864441.db2.gz BRWRSAQFDWGSHL-UHFFFAOYSA-N -1 3 391.276 3.075 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c(F)cc1Br ZINC000333087158 565865084 /nfs/dbraw/zinc/86/50/84/565865084.db2.gz AFONPBHJGPMSSR-NSHDSACASA-N -1 3 392.290 3.277 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccc(Cl)cc1F ZINC000333100874 565865687 /nfs/dbraw/zinc/86/56/87/565865687.db2.gz CHPKTTGCCRFLDF-OAHLLOKOSA-N -1 3 387.864 3.134 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCN1C1CCCCC1 ZINC000333114651 565865906 /nfs/dbraw/zinc/86/59/06/565865906.db2.gz SZIVRPAGONQEFH-OAHLLOKOSA-N -1 3 388.892 3.081 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCSc4c(F)cccc43)cn21 ZINC000333143031 565867752 /nfs/dbraw/zinc/86/77/52/565867752.db2.gz JQZRNVVLCZLRGF-RISCZKNCSA-N -1 3 381.498 3.435 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCC[C@@H](C(F)(F)F)C3)cn21 ZINC000333144491 565867788 /nfs/dbraw/zinc/86/77/88/565867788.db2.gz JWYFXRZIMLTSCZ-FRRDWIJNSA-N -1 3 379.448 3.427 20 0 GGADHM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1 ZINC000195240134 565868736 /nfs/dbraw/zinc/86/87/36/565868736.db2.gz RCIWHYKLMKPCNR-UHFFFAOYSA-N -1 3 391.242 3.298 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c(C)o1 ZINC000177736108 565869885 /nfs/dbraw/zinc/86/98/85/565869885.db2.gz PDVMXOMDFBPBLZ-UHFFFAOYSA-N -1 3 376.356 3.076 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c(F)cc1Br ZINC000333197417 565871546 /nfs/dbraw/zinc/87/15/46/565871546.db2.gz ULRKDGGHHJOGTR-FZMZJTMJSA-N -1 3 392.290 3.133 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c(F)cc1Br ZINC000333197415 565871951 /nfs/dbraw/zinc/87/19/51/565871951.db2.gz ULRKDGGHHJOGTR-BXUZGUMPSA-N -1 3 392.290 3.133 20 0 GGADHM O=S(=O)(Cc1csc(Br)c1)c1nnc(Cc2ccccc2)[n-]1 ZINC000195287744 565872927 /nfs/dbraw/zinc/87/29/27/565872927.db2.gz ASJWHENZXLISSM-UHFFFAOYSA-N -1 3 398.307 3.193 20 0 GGADHM O=C(NCc1ccc(Br)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000195277055 565873321 /nfs/dbraw/zinc/87/33/21/565873321.db2.gz IRXWADPSRDYANT-UHFFFAOYSA-N -1 3 375.197 3.360 20 0 GGADHM Cc1c(Cl)cccc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000195320747 565875578 /nfs/dbraw/zinc/87/55/78/565875578.db2.gz JGYMGWUMMNVHBN-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(Cl)cc1F ZINC000284925691 565877808 /nfs/dbraw/zinc/87/78/08/565877808.db2.gz BCJRQRLUDADYEQ-UHFFFAOYSA-N -1 3 385.848 3.152 20 0 GGADHM COc1ccc(OC)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000177890075 565878871 /nfs/dbraw/zinc/87/88/71/565878871.db2.gz KDNCWBYWENQMAO-UHFFFAOYSA-N -1 3 381.226 3.494 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)CCc2cccs2)CCCN1c1ccccc1Cl ZINC000195384406 565879336 /nfs/dbraw/zinc/87/93/36/565879336.db2.gz WWGDAIKIHSDJLA-HNNXBMFYSA-N -1 3 398.937 3.059 20 0 GGADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000333385941 565879631 /nfs/dbraw/zinc/87/96/31/565879631.db2.gz CDZLPMGDKKDEJU-ZDUSSCGKSA-N -1 3 378.519 3.296 20 0 GGADHM Cc1nc([C@H]([N-]S(=O)(=O)CCc2cccs2)c2ccc(Cl)cc2)no1 ZINC000195403760 565880454 /nfs/dbraw/zinc/88/04/54/565880454.db2.gz PTPUYMHZQUDGHH-OAHLLOKOSA-N -1 3 397.909 3.344 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000177919505 565880926 /nfs/dbraw/zinc/88/09/26/565880926.db2.gz KMCHDIPHSDCWTJ-WFASDCNBSA-N -1 3 378.270 3.388 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(Cc3ccc(Br)s3)CC2)n1 ZINC000177914265 565881633 /nfs/dbraw/zinc/88/16/33/565881633.db2.gz ULQYBAUEPNGZCB-GFCCVEGCSA-N -1 3 397.342 3.193 20 0 GGADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000333440868 565882903 /nfs/dbraw/zinc/88/29/03/565882903.db2.gz PPVQAISWWSFICY-GFCCVEGCSA-N -1 3 375.441 3.071 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000333463368 565884014 /nfs/dbraw/zinc/88/40/14/565884014.db2.gz PZWSLYYSJGZTIF-SUMWQHHRSA-N -1 3 379.551 3.091 20 0 GGADHM CSc1ncc(Cl)c(C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000178021150 565890702 /nfs/dbraw/zinc/89/07/02/565890702.db2.gz DVJFSNNJOOUUMB-UHFFFAOYSA-N -1 3 388.674 3.250 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000285218446 565894684 /nfs/dbraw/zinc/89/46/84/565894684.db2.gz USELVEPRQZXFFB-UHFFFAOYSA-N -1 3 385.825 3.025 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)s1 ZINC000333732565 565894715 /nfs/dbraw/zinc/89/47/15/565894715.db2.gz UIDKXYQFBAVJAQ-NSHDSACASA-N -1 3 394.356 3.447 20 0 GGADHM CCc1[nH]ccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000285371124 565903299 /nfs/dbraw/zinc/90/32/99/565903299.db2.gz MOBONWLOGLQXEE-UHFFFAOYSA-N -1 3 375.372 3.220 20 0 GGADHM CCCN1CCN(Cc2cc(Br)c([O-])c(Br)c2)CC1 ZINC000221771128 565904620 /nfs/dbraw/zinc/90/46/20/565904620.db2.gz VHJKKOAIUKCZKG-UHFFFAOYSA-N -1 3 392.135 3.445 20 0 GGADHM C[C@@H](Cn1ccnc1)NCc1cc(Br)c([O-])c(Br)c1 ZINC000221851802 565904785 /nfs/dbraw/zinc/90/47/85/565904785.db2.gz UDAJLNMXYVPEMR-VIFPVBQESA-N -1 3 389.091 3.292 20 0 GGADHM O=C(c1sccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000285428524 565906627 /nfs/dbraw/zinc/90/66/27/565906627.db2.gz LLMFLMVKMXBIHQ-UHFFFAOYSA-N -1 3 390.939 3.046 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1nncn1C ZINC000285450156 565907790 /nfs/dbraw/zinc/90/77/90/565907790.db2.gz XYAPCAOIECOOHS-AWEZNQCLSA-N -1 3 384.914 3.359 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000334001823 565908395 /nfs/dbraw/zinc/90/83/95/565908395.db2.gz SDTCOFPVZRXPTD-DOTOQJQBSA-N -1 3 381.270 3.008 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1nncn1C ZINC000285450159 565908459 /nfs/dbraw/zinc/90/84/59/565908459.db2.gz XYAPCAOIECOOHS-CQSZACIVSA-N -1 3 384.914 3.359 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000334001827 565908773 /nfs/dbraw/zinc/90/87/73/565908773.db2.gz SDTCOFPVZRXPTD-NVXWUHKLSA-N -1 3 381.270 3.008 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000178328668 565912653 /nfs/dbraw/zinc/91/26/53/565912653.db2.gz HDPXRKWTCSAVRZ-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2)CC1 ZINC000414381555 565919492 /nfs/dbraw/zinc/91/94/92/565919492.db2.gz IPHSFSZKPJKEGI-UHFFFAOYSA-N -1 3 396.690 3.330 20 0 GGADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)c1F ZINC000414384050 565920567 /nfs/dbraw/zinc/92/05/67/565920567.db2.gz SDQXPKQDXDRRBI-UHFFFAOYSA-N -1 3 381.351 3.144 20 0 GGADHM C[C@@]12CCN(C(=O)c3cccc([O-])c3)C[C@@H]1C2(Br)Br ZINC000285668197 565920742 /nfs/dbraw/zinc/92/07/42/565920742.db2.gz IIJWZVNTCBLVAM-WCQYABFASA-N -1 3 389.087 3.360 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1 ZINC000414388646 565921696 /nfs/dbraw/zinc/92/16/96/565921696.db2.gz ZPUONVDNCQOQKB-UHFFFAOYSA-N -1 3 384.679 3.043 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000414388815 565922332 /nfs/dbraw/zinc/92/23/32/565922332.db2.gz NDXKTIKBAHFYLM-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(Cl)c(OC)c1 ZINC000414398036 565922890 /nfs/dbraw/zinc/92/28/90/565922890.db2.gz STPDJGKBSKWVDR-SNVBAGLBSA-N -1 3 383.853 3.481 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000178521004 565923408 /nfs/dbraw/zinc/92/34/08/565923408.db2.gz OYFBPMQDHCMJCS-HNNXBMFYSA-N -1 3 383.828 3.232 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(Cl)c(OC)c1 ZINC000414398033 565923502 /nfs/dbraw/zinc/92/35/02/565923502.db2.gz STPDJGKBSKWVDR-JTQLQIEISA-N -1 3 383.853 3.481 20 0 GGADHM CS[C@@H](CO)[C@@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000228327902 565924766 /nfs/dbraw/zinc/92/47/66/565924766.db2.gz VOGTVUFYMJSKPZ-HQJQHLMTSA-N -1 3 399.148 3.119 20 0 GGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000228580144 565925068 /nfs/dbraw/zinc/92/50/68/565925068.db2.gz APVJHCYQVZZMCC-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1nccs1 ZINC000230725109 565929255 /nfs/dbraw/zinc/92/92/55/565929255.db2.gz UQTGTKZKCVOGLU-QMMMGPOBSA-N -1 3 379.276 3.127 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ncsc3C(F)(F)F)n2)cc1 ZINC000349927878 565931160 /nfs/dbraw/zinc/93/11/60/565931160.db2.gz IZRKEHFFKRMVKR-UHFFFAOYSA-N -1 3 390.368 3.250 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232497221 565932711 /nfs/dbraw/zinc/93/27/11/565932711.db2.gz PMESIMPLYSXQMQ-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000178671460 565933092 /nfs/dbraw/zinc/93/30/92/565933092.db2.gz GQASGTVBRDHCAD-UHFFFAOYSA-N -1 3 388.674 3.468 20 0 GGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232848717 565933268 /nfs/dbraw/zinc/93/32/68/565933268.db2.gz SMWGRSMECURKFR-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)OC ZINC000233317225 565933313 /nfs/dbraw/zinc/93/33/13/565933313.db2.gz RZFQXCVJXJTNRE-CYBMUJFWSA-N -1 3 398.706 3.113 20 0 GGADHM CC1(C)[C@H](O)C[C@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000232783390 565934046 /nfs/dbraw/zinc/93/40/46/565934046.db2.gz XZFLXFKZBSCNFP-GHMZBOCLSA-N -1 3 379.092 3.166 20 0 GGADHM CC1(CC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CCCCC1 ZINC000178693973 565934284 /nfs/dbraw/zinc/93/42/84/565934284.db2.gz QRHNTVTYJQJDIQ-UHFFFAOYSA-N -1 3 384.567 3.378 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1cc(Br)ccc1Cl ZINC000178691632 565934293 /nfs/dbraw/zinc/93/42/93/565934293.db2.gz AGEBSULWYGIBJK-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]c2c(F)cc(F)cc2Br)cn1C ZINC000414451336 565934936 /nfs/dbraw/zinc/93/49/36/565934936.db2.gz IEEZWMXXFWOTKI-UHFFFAOYSA-N -1 3 394.241 3.385 20 0 GGADHM O=C(NCCc1ccc2c(c1)CCO2)NCc1ccc([O-])c(Br)c1 ZINC000178744763 565935543 /nfs/dbraw/zinc/93/55/43/565935543.db2.gz UHSBFLQKHMHRAE-UHFFFAOYSA-N -1 3 391.265 3.132 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235793680 565937240 /nfs/dbraw/zinc/93/72/40/565937240.db2.gz IXCLUQUPACHIGV-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1nc(C)c(Cc2nc(Cc3ccc(Br)cc3)no2)c(=O)[n-]1 ZINC000350452480 565937821 /nfs/dbraw/zinc/93/78/21/565937821.db2.gz HORGGKDVVGEJEH-UHFFFAOYSA-N -1 3 375.226 3.126 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236546251 565938551 /nfs/dbraw/zinc/93/85/51/565938551.db2.gz FPQDSIMIXBIOFX-CHWSQXEVSA-N -1 3 382.707 3.074 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000235974823 565938641 /nfs/dbraw/zinc/93/86/41/565938641.db2.gz VHNOBWUMGWPJBP-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM O=S(=O)([N-]CCCOCC1CC1)c1ccc(Cl)c(Br)c1 ZINC000236053346 565938820 /nfs/dbraw/zinc/93/88/20/565938820.db2.gz HSUJBQWDWPPIMM-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM COc1cc(OCCN(C)C)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000414469508 565938889 /nfs/dbraw/zinc/93/88/89/565938889.db2.gz GLPWGXPXXUQIQT-UHFFFAOYSA-N -1 3 384.523 3.115 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000178836633 565940215 /nfs/dbraw/zinc/94/02/15/565940215.db2.gz SFLOERHXUFCRAX-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cccc(COCC(F)(F)F)c2)s1 ZINC000178836999 565940586 /nfs/dbraw/zinc/94/05/86/565940586.db2.gz DFGCZWJNOJWGAH-UHFFFAOYSA-N -1 3 394.440 3.317 20 0 GGADHM COc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c(Br)c1[O-] ZINC000414492698 565941596 /nfs/dbraw/zinc/94/15/96/565941596.db2.gz ZZIQQLJZKXGBFX-LSDHHAIUSA-N -1 3 378.266 3.471 20 0 GGADHM COc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c(Br)c1[O-] ZINC000414492687 565941913 /nfs/dbraw/zinc/94/19/13/565941913.db2.gz ZZIQQLJZKXGBFX-GJZGRUSLSA-N -1 3 378.266 3.471 20 0 GGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3ccc(Cl)o3)no2)ccc1F ZINC000350916463 565942570 /nfs/dbraw/zinc/94/25/70/565942570.db2.gz QKUKUGQODLSVHG-UHFFFAOYSA-N -1 3 383.788 3.230 20 0 GGADHM CCS(=O)(=O)c1cc(Cl)cc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000414496633 565943155 /nfs/dbraw/zinc/94/31/55/565943155.db2.gz QOQUIISNVWKSGP-UHFFFAOYSA-N -1 3 375.824 3.407 20 0 GGADHM Cc1nc2sccn2c1-c1noc(-c2cnc([O-])c(Br)c2)n1 ZINC000350929518 565944029 /nfs/dbraw/zinc/94/40/29/565944029.db2.gz YXALCFIQLBIQAL-UHFFFAOYSA-N -1 3 378.211 3.284 20 0 GGADHM CCSc1ccc(-c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)cc1 ZINC000350983533 565944405 /nfs/dbraw/zinc/94/44/05/565944405.db2.gz FONKDXQTBSJAJS-UHFFFAOYSA-N -1 3 376.463 3.282 20 0 GGADHM CN(CCCC(=O)[O-])Cc1cc(Br)cc(Br)c1N ZINC000414642783 565953654 /nfs/dbraw/zinc/95/36/54/565953654.db2.gz WJHKGFGWEFMBOE-UHFFFAOYSA-N -1 3 380.080 3.090 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)CSc1cccc2cccc(Cl)c21 ZINC000237123442 565952771 /nfs/dbraw/zinc/95/27/71/565952771.db2.gz VSEYTTVFQHBINF-UHFFFAOYSA-N -1 3 380.897 3.060 20 0 GGADHM CCS[C@H]1CCC[C@@H]1NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373153 565956073 /nfs/dbraw/zinc/95/60/73/565956073.db2.gz YTJNBSKMPGVICX-QWRGUYRKSA-N -1 3 381.523 3.256 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373166 565956117 /nfs/dbraw/zinc/95/61/17/565956117.db2.gz YTJNBSKMPGVICX-WDEREUQCSA-N -1 3 381.523 3.256 20 0 GGADHM COc1cc(C(=O)NCc2ccc(Br)c(F)c2)cc(OC)c1[O-] ZINC000179114528 565958622 /nfs/dbraw/zinc/95/86/22/565958622.db2.gz ADDYNJNCFBNEKC-UHFFFAOYSA-N -1 3 384.201 3.241 20 0 GGADHM C[C@H](N)C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000237409449 565959269 /nfs/dbraw/zinc/95/92/69/565959269.db2.gz BOWVSOZXBUBPMX-VIFPVBQESA-N -1 3 388.276 3.080 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000179259554 565969498 /nfs/dbraw/zinc/96/94/98/565969498.db2.gz OMVCOWJVJQYNLP-LLVKDONJSA-N -1 3 377.388 3.402 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000179259546 565969513 /nfs/dbraw/zinc/96/95/13/565969513.db2.gz OMVCOWJVJQYNLP-NSHDSACASA-N -1 3 377.388 3.402 20 0 GGADHM Oc1[n-]c(NCC2(c3ccc(Br)s3)CCC2)nc2nncc1-2 ZINC000286706307 565975821 /nfs/dbraw/zinc/97/58/21/565975821.db2.gz YWZNSMDSIMTUTC-UHFFFAOYSA-N -1 3 380.271 3.416 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1 ZINC000179388443 565977522 /nfs/dbraw/zinc/97/75/22/565977522.db2.gz JDYUNQVFOTYKJX-UHFFFAOYSA-N -1 3 375.837 3.049 20 0 GGADHM COc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)cc(OC)c1[O-] ZINC000362412566 565979906 /nfs/dbraw/zinc/97/99/06/565979906.db2.gz HATQKMAXEUDLMK-ZDUSSCGKSA-N -1 3 383.853 3.338 20 0 GGADHM COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000179410786 565979911 /nfs/dbraw/zinc/97/99/11/565979911.db2.gz WQFLDRXRXYKQNR-HNNXBMFYSA-N -1 3 392.249 3.449 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000179460875 565981399 /nfs/dbraw/zinc/98/13/99/565981399.db2.gz QNEJJGYSHOKWTD-OAHLLOKOSA-N -1 3 383.828 3.232 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCc2sccc2C1 ZINC000179485000 565983285 /nfs/dbraw/zinc/98/32/85/565983285.db2.gz MZPQTXCLBWJLHM-NSHDSACASA-N -1 3 395.322 3.393 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000240792823 565984125 /nfs/dbraw/zinc/98/41/25/565984125.db2.gz AYWIIHDDDPRLMI-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1F ZINC000244390687 565987745 /nfs/dbraw/zinc/98/77/45/565987745.db2.gz YFJMFBBJZWZARC-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000179556909 565989177 /nfs/dbraw/zinc/98/91/77/565989177.db2.gz CMYIWMGEDHISQX-CQSZACIVSA-N -1 3 389.249 3.455 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(Cc2cccs2)C(C)C)ccc1F ZINC000287032980 565993710 /nfs/dbraw/zinc/99/37/10/565993710.db2.gz HFHSEUFSSSCSLQ-UHFFFAOYSA-N -1 3 385.486 3.238 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1C(F)(F)F ZINC000245518440 565994490 /nfs/dbraw/zinc/99/44/90/565994490.db2.gz AQZACNMNIWEBDT-ZLKJLUDKSA-N -1 3 379.375 3.080 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(C(F)(F)F)ccc1F ZINC000245548053 565995881 /nfs/dbraw/zinc/99/58/81/565995881.db2.gz NRVDNMOKIMMPDA-ZLKJLUDKSA-N -1 3 379.375 3.080 20 0 GGADHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179654642 565996266 /nfs/dbraw/zinc/99/62/66/565996266.db2.gz KKOHFSVRWKRTQT-INIZCTEOSA-N -1 3 389.249 3.067 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000179653814 565996560 /nfs/dbraw/zinc/99/65/60/565996560.db2.gz MWFOMWPMSBHWQB-ZDUSSCGKSA-N -1 3 393.237 3.381 20 0 GGADHM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)[C@H](CN)C1 ZINC000415507391 566001028 /nfs/dbraw/zinc/00/10/28/566001028.db2.gz CWYQTIYAJHTKLX-UWVGGRQHSA-N -1 3 383.880 3.011 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C[C@H](C)O1 ZINC000245684605 566001743 /nfs/dbraw/zinc/00/17/43/566001743.db2.gz POAYSLFMOWOXBH-DOFRTFSJSA-N -1 3 382.707 3.337 20 0 GGADHM Cc1cc(Br)c(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1Cl ZINC000287168139 566002052 /nfs/dbraw/zinc/00/20/52/566002052.db2.gz GAPSBFBTPXNKCQ-UHFFFAOYSA-N -1 3 382.645 3.105 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC(C)(C)C2CCCCC2)s1 ZINC000179753378 566005431 /nfs/dbraw/zinc/00/54/31/566005431.db2.gz TXCANTTVWSHUFF-UHFFFAOYSA-N -1 3 387.571 3.062 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000287263143 566007880 /nfs/dbraw/zinc/00/78/80/566007880.db2.gz HWTNRNNTTJYTSK-RXMQYKEDSA-N -1 3 389.783 3.389 20 0 GGADHM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000363544550 566009514 /nfs/dbraw/zinc/00/95/14/566009514.db2.gz JRRCXISKZLTIOC-HNNXBMFYSA-N -1 3 393.285 3.243 20 0 GGADHM C[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@H]1CN ZINC000415633330 566009599 /nfs/dbraw/zinc/00/95/99/566009599.db2.gz QLDWXBHKOAFOPA-ZANVPECISA-N -1 3 383.880 3.011 20 0 GGADHM C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@@H](CN)C1 ZINC000415628147 566010048 /nfs/dbraw/zinc/01/00/48/566010048.db2.gz DXPJLWOSCBYDCJ-MWLCHTKSSA-N -1 3 383.880 3.011 20 0 GGADHM CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C(C)C ZINC000179862961 566013154 /nfs/dbraw/zinc/01/31/54/566013154.db2.gz LGSDGWVTLRFCAP-UHFFFAOYSA-N -1 3 384.217 3.003 20 0 GGADHM Cc1cc(NC(=O)C2CCN(Cc3cc([O-])ccc3Br)CC2)no1 ZINC000179857408 566013391 /nfs/dbraw/zinc/01/33/91/566013391.db2.gz DGHWWOBSQYRKFQ-UHFFFAOYSA-N -1 3 394.269 3.302 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Br)cc1Cl ZINC000245982151 566013924 /nfs/dbraw/zinc/01/39/24/566013924.db2.gz DFSSJNRWVAAHHF-CYZMBNFOSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2coc3ccccc23)CC1)c1cccs1 ZINC000179872060 566014107 /nfs/dbraw/zinc/01/41/07/566014107.db2.gz PMBKURCDOIKWHT-UHFFFAOYSA-N -1 3 376.503 3.437 20 0 GGADHM CC[C@H](C)[C@@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179869760 566014143 /nfs/dbraw/zinc/01/41/43/566014143.db2.gz ILGLROYTDVNOAJ-VHSXEESVSA-N -1 3 398.244 3.297 20 0 GGADHM CCC[C@@H](CC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179875862 566014375 /nfs/dbraw/zinc/01/43/75/566014375.db2.gz PRAYTDBRRJAMSY-LLVKDONJSA-N -1 3 398.244 3.441 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc(F)c(F)c(F)c2)CC1)c1cccs1 ZINC000179872461 566014396 /nfs/dbraw/zinc/01/43/96/566014396.db2.gz QOXZKAZOANOEAH-UHFFFAOYSA-N -1 3 390.452 3.108 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)sc1Br ZINC000246025749 566014528 /nfs/dbraw/zinc/01/45/28/566014528.db2.gz OOQQFTITRJYBPC-HBNTYKKESA-N -1 3 380.329 3.055 20 0 GGADHM CCOc1cccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000179871881 566014522 /nfs/dbraw/zinc/01/45/22/566014522.db2.gz BWAXSJGNWCUIRU-UHFFFAOYSA-N -1 3 380.535 3.090 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)c(F)c2)CC1)c1cccs1 ZINC000179873224 566014562 /nfs/dbraw/zinc/01/45/62/566014562.db2.gz IQUTXRVAXBYQPV-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C2CC2)s1 ZINC000246030831 566014603 /nfs/dbraw/zinc/01/46/03/566014603.db2.gz AHEYZNPNSLSUGT-JOQOYGCGSA-N -1 3 382.551 3.217 20 0 GGADHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000179866242 566014873 /nfs/dbraw/zinc/01/48/73/566014873.db2.gz VZYXDBGNVFQZMU-UHFFFAOYSA-N -1 3 393.281 3.064 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)sc1Br ZINC000246025746 566015188 /nfs/dbraw/zinc/01/51/88/566015188.db2.gz OOQQFTITRJYBPC-AXFHLTTASA-N -1 3 380.329 3.055 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(Cc1cccs1)C1CC1 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3.053 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c1 ZINC000287573675 566026732 /nfs/dbraw/zinc/02/67/32/566026732.db2.gz XBCGVPBBIIXNNE-UHFFFAOYSA-N -1 3 389.811 3.139 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000180020474 566026988 /nfs/dbraw/zinc/02/69/88/566026988.db2.gz LIOYYTIPMJIOTK-UWVGGRQHSA-N -1 3 396.228 3.146 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000180020492 566027010 /nfs/dbraw/zinc/02/70/10/566027010.db2.gz LIOYYTIPMJIOTK-NXEZZACHSA-N -1 3 396.228 3.146 20 0 GGADHM C[C@@H]1N(C(=O)NCc2ccc([O-])c(Br)c2)CCC12CCOCC2 ZINC000363988723 566029238 /nfs/dbraw/zinc/02/92/38/566029238.db2.gz VJIUQMSJOPJXGU-LBPRGKRZSA-N -1 3 383.286 3.255 20 0 GGADHM COc1cc(F)c(Br)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000416047888 566030036 /nfs/dbraw/zinc/03/00/36/566030036.db2.gz GVFYJUKCOAYAAW-UHFFFAOYSA-N -1 3 398.232 3.281 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCN(C)[C@H]2c2cccs2)s1 ZINC000246527043 566032511 /nfs/dbraw/zinc/03/25/11/566032511.db2.gz OZUNUIXIELRELO-DZGCQCFKSA-N -1 3 385.580 3.183 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Br)c(Cl)c1 ZINC000246653835 566035784 /nfs/dbraw/zinc/03/57/84/566035784.db2.gz KHXFQXYIBJXFHL-ZLKJLUDKSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000246637727 566035850 /nfs/dbraw/zinc/03/58/50/566035850.db2.gz FHRWMKIOZCTOSP-WHCBVINPSA-N -1 3 398.937 3.193 20 0 GGADHM CCSCc1cc(C(=O)[N-]c2sc3c(c2C(=O)OC)CCOC3)no1 ZINC000416112981 566035917 /nfs/dbraw/zinc/03/59/17/566035917.db2.gz LMWPIDBJZISXFE-UHFFFAOYSA-N -1 3 382.463 3.101 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000246679008 566037400 /nfs/dbraw/zinc/03/74/00/566037400.db2.gz QJIXJTKGGQSMPW-BJFPOWJFSA-N -1 3 384.350 3.352 20 0 GGADHM O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cccc2nn[n-]c21 ZINC000180148488 566037658 /nfs/dbraw/zinc/03/76/58/566037658.db2.gz LLFLMTIVLCNEJF-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cccc2[n-]nnc21 ZINC000180148488 566037662 /nfs/dbraw/zinc/03/76/62/566037662.db2.gz LLFLMTIVLCNEJF-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cccc2n[n-]nc21 ZINC000180148488 566037666 /nfs/dbraw/zinc/03/76/66/566037666.db2.gz LLFLMTIVLCNEJF-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM CO[C@H](CC(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000416151144 566038425 /nfs/dbraw/zinc/03/84/25/566038425.db2.gz ODWNFTNJMOIUGS-CYBMUJFWSA-N -1 3 382.404 3.077 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(Br)s1 ZINC000246741438 566039432 /nfs/dbraw/zinc/03/94/32/566039432.db2.gz OGSLQGRJDDRXMJ-ZWKOPEQDSA-N -1 3 392.340 3.137 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(F)c(F)c1 ZINC000180182407 566041339 /nfs/dbraw/zinc/04/13/39/566041339.db2.gz XRKOGDVGMWIBOC-MRXNPFEDSA-N -1 3 377.359 3.050 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)s1 ZINC000416592638 566091021 /nfs/dbraw/zinc/09/10/21/566091021.db2.gz IWNCDCYZOUFHBQ-UHFFFAOYSA-N -1 3 382.345 3.303 20 0 GGADHM COCCCO[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000287933682 566048846 /nfs/dbraw/zinc/04/88/46/566048846.db2.gz VIZBLEWSTDODDW-UHFFFAOYSA-N -1 3 397.269 3.429 20 0 GGADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000180286798 566051379 /nfs/dbraw/zinc/05/13/79/566051379.db2.gz MISBKJRKTAIEBQ-UHFFFAOYSA-N -1 3 386.260 3.316 20 0 GGADHM CN1CCc2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cc21 ZINC000180287289 566051504 /nfs/dbraw/zinc/05/15/04/566051504.db2.gz ZAYNHEHUWDMLKS-UHFFFAOYSA-N -1 3 376.254 3.469 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1C ZINC000180290907 566052843 /nfs/dbraw/zinc/05/28/43/566052843.db2.gz IECMVHCKFUUJCM-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000247099989 566053191 /nfs/dbraw/zinc/05/31/91/566053191.db2.gz WHZIHPYUNQQGNU-DAXOMENPSA-N -1 3 395.297 3.302 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)[C@@H](C)[C@H]1C ZINC000416316199 566053344 /nfs/dbraw/zinc/05/33/44/566053344.db2.gz ARBLFTVBRAVSEV-VWYCJHECSA-N -1 3 378.416 3.193 20 0 GGADHM C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)[C@@H](C)[C@H]1C ZINC000416317741 566053597 /nfs/dbraw/zinc/05/35/97/566053597.db2.gz JMNUFKHGNOBZEO-AGIUHOORSA-N -1 3 398.575 3.405 20 0 GGADHM C[C@@H]1[C@H](C)CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1C ZINC000416317700 566053818 /nfs/dbraw/zinc/05/38/18/566053818.db2.gz JIRZRGQMQREPHF-UTUOFQBUSA-N -1 3 393.336 3.165 20 0 GGADHM C[C@@H]1[C@H](C)CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)[C@H]1C ZINC000416317745 566053847 /nfs/dbraw/zinc/05/38/47/566053847.db2.gz JMNUFKHGNOBZEO-UPJWGTAASA-N -1 3 398.575 3.405 20 0 GGADHM C[C@@H]1[C@H](C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)[C@H]1C ZINC000416316197 566054082 /nfs/dbraw/zinc/05/40/82/566054082.db2.gz ARBLFTVBRAVSEV-MXWKQRLJSA-N -1 3 378.416 3.193 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@@H]4OCC[C@H]43)s2)cs1 ZINC000247214285 566054527 /nfs/dbraw/zinc/05/45/27/566054527.db2.gz XFGWGQZQNIFWKC-SCRDCRAPSA-N -1 3 384.548 3.416 20 0 GGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000180323226 566054533 /nfs/dbraw/zinc/05/45/33/566054533.db2.gz YWSMOUNIAAPKQG-MRVPVSSYSA-N -1 3 386.308 3.017 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@H]4CCO[C@H]4C3(C)C)s2)cs1 ZINC000247210853 566055459 /nfs/dbraw/zinc/05/54/59/566055459.db2.gz WYDYWELSOUXHFA-VCTAVGKDSA-N -1 3 384.548 3.272 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@@H]4CCO[C@H]4C3(C)C)s2)cs1 ZINC000247210841 566055484 /nfs/dbraw/zinc/05/54/84/566055484.db2.gz WYDYWELSOUXHFA-COLVAYQJSA-N -1 3 384.548 3.272 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc2c(s1)CC(C)(C)CC2 ZINC000416363144 566057187 /nfs/dbraw/zinc/05/71/87/566057187.db2.gz ZOLOJAUGYOFDBD-SNVBAGLBSA-N -1 3 399.563 3.025 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000416366445 566057387 /nfs/dbraw/zinc/05/73/87/566057387.db2.gz CEGOCZVYDLIZKE-UHFFFAOYSA-N -1 3 389.901 3.144 20 0 GGADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000180360124 566058175 /nfs/dbraw/zinc/05/81/75/566058175.db2.gz QGVYRIQYZHAXHK-GMSGAONNSA-N -1 3 386.704 3.337 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3cccc(Br)c3)C2)n1 ZINC000247347387 566058570 /nfs/dbraw/zinc/05/85/70/566058570.db2.gz GWPLZHCOAREMHY-SWLSCSKDSA-N -1 3 378.270 3.388 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416380688 566059305 /nfs/dbraw/zinc/05/93/05/566059305.db2.gz AXNHIEPEDVBWEC-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cn(C)c(C(C)C)n3)o2)cs1 ZINC000416379357 566059487 /nfs/dbraw/zinc/05/94/87/566059487.db2.gz WQFSRQGTHPMMHM-UHFFFAOYSA-N -1 3 380.495 3.047 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)cs1 ZINC000416379482 566059503 /nfs/dbraw/zinc/05/95/03/566059503.db2.gz XPYZJTCKVJGYEJ-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM CC(Cl)(Cl)C(=O)[N-]Cc1csc(NC(=O)C(C)(Cl)Cl)n1 ZINC000180381037 566059564 /nfs/dbraw/zinc/05/95/64/566059564.db2.gz YVCSACIKBLRMRE-UHFFFAOYSA-N -1 3 379.096 3.085 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000416384993 566060369 /nfs/dbraw/zinc/06/03/69/566060369.db2.gz FOTHKHIMNBBATE-CYBMUJFWSA-N -1 3 379.865 3.135 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000416386761 566061039 /nfs/dbraw/zinc/06/10/39/566061039.db2.gz LSCSDUZITFPVPA-UHFFFAOYSA-N -1 3 379.865 3.351 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000416401281 566062613 /nfs/dbraw/zinc/06/26/13/566062613.db2.gz SZTYPFKYDZIMEY-MNOVXSKESA-N -1 3 377.915 3.079 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2scnc2C2CCCC2)ccc1F ZINC000288213025 566063069 /nfs/dbraw/zinc/06/30/69/566063069.db2.gz HOGFQSZCDXNRRB-UHFFFAOYSA-N -1 3 383.470 3.100 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CF)c(Cl)cc1Cl ZINC000288236639 566063682 /nfs/dbraw/zinc/06/36/82/566063682.db2.gz OHOTZVAGENZTFG-VIFPVBQESA-N -1 3 385.288 3.016 20 0 GGADHM Cc1nn(C)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1C(F)F ZINC000416412945 566064568 /nfs/dbraw/zinc/06/45/68/566064568.db2.gz BJMLHCCMMNHFFB-VHSXEESVSA-N -1 3 389.390 3.313 20 0 GGADHM Cc1nn(C)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1C(F)F ZINC000416412937 566064718 /nfs/dbraw/zinc/06/47/18/566064718.db2.gz BJMLHCCMMNHFFB-NXEZZACHSA-N -1 3 389.390 3.313 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416413064 566064752 /nfs/dbraw/zinc/06/47/52/566064752.db2.gz DZTATGTZKMYWTP-RYUDHWBXSA-N -1 3 391.942 3.469 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416413065 566064820 /nfs/dbraw/zinc/06/48/20/566064820.db2.gz DZTATGTZKMYWTP-VXGBXAGGSA-N -1 3 391.942 3.469 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C1CCOCC1 ZINC000416414899 566065039 /nfs/dbraw/zinc/06/50/39/566065039.db2.gz JAXMCNGGSAJMLP-AWEZNQCLSA-N -1 3 394.306 3.380 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000416418328 566065976 /nfs/dbraw/zinc/06/59/76/566065976.db2.gz PHOLMNNFVFAFGJ-SECBINFHSA-N -1 3 396.460 3.448 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416420534 566066055 /nfs/dbraw/zinc/06/60/55/566066055.db2.gz ZOOMMRZYQOGFRZ-STQMWFEESA-N -1 3 391.942 3.469 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1OCCN(C)C ZINC000416423376 566067556 /nfs/dbraw/zinc/06/75/56/566067556.db2.gz USUYESAQTMGRFY-UHFFFAOYSA-N -1 3 384.523 3.115 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)cn1C ZINC000416433368 566068428 /nfs/dbraw/zinc/06/84/28/566068428.db2.gz OSJSEDCOCGXEGF-LBPRGKRZSA-N -1 3 378.523 3.063 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1c(C)noc1C ZINC000416436096 566068451 /nfs/dbraw/zinc/06/84/51/566068451.db2.gz BMCRDYZKJHDHKK-LBPRGKRZSA-N -1 3 386.857 3.161 20 0 GGADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)OC ZINC000416439593 566068571 /nfs/dbraw/zinc/06/85/71/566068571.db2.gz QLXYOFWXSUQTQA-CQSZACIVSA-N -1 3 391.917 3.246 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCCSCC(C)C ZINC000416437769 566068813 /nfs/dbraw/zinc/06/88/13/566068813.db2.gz IJLGMBHWTOASND-UHFFFAOYSA-N -1 3 379.931 3.184 20 0 GGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416460719 566070582 /nfs/dbraw/zinc/07/05/82/566070582.db2.gz XLNYQPOJFBNHIU-MRVPVSSYSA-N -1 3 375.796 3.367 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1C ZINC000416461336 566070829 /nfs/dbraw/zinc/07/08/29/566070829.db2.gz XQQIUXSSZJNLQD-GDBMZVCRSA-N -1 3 383.901 3.005 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1ccco1 ZINC000416459764 566070881 /nfs/dbraw/zinc/07/08/81/566070881.db2.gz SZUPPEYPJBRQLJ-GFCCVEGCSA-N -1 3 389.857 3.006 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1nccs1 ZINC000416464654 566072243 /nfs/dbraw/zinc/07/22/43/566072243.db2.gz XNAOVUJNYQGZEE-OAHLLOKOSA-N -1 3 388.898 3.187 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000180568123 566073840 /nfs/dbraw/zinc/07/38/40/566073840.db2.gz YICHJGUDJYABIA-ZJUUUORDSA-N -1 3 383.388 3.028 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)c(F)cc1Br ZINC000416489820 566075107 /nfs/dbraw/zinc/07/51/07/566075107.db2.gz SMAIFKOOBRDYDL-CYBMUJFWSA-N -1 3 390.278 3.295 20 0 GGADHM CC(Cl)(Cl)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000180602764 566076068 /nfs/dbraw/zinc/07/60/68/566076068.db2.gz FMPRCFOQLPILPW-UHFFFAOYSA-N -1 3 379.671 3.417 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000416499839 566076175 /nfs/dbraw/zinc/07/61/75/566076175.db2.gz ALZIPFGEQFODOL-SNVBAGLBSA-N -1 3 380.279 3.072 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000416500265 566076192 /nfs/dbraw/zinc/07/61/92/566076192.db2.gz BSVFMBHZPJOVAG-JTQLQIEISA-N -1 3 380.279 3.072 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)sc1Br ZINC000416503361 566077376 /nfs/dbraw/zinc/07/73/76/566077376.db2.gz PPRITIHJBUUGFO-JTQLQIEISA-N -1 3 382.345 3.303 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000416501763 566077838 /nfs/dbraw/zinc/07/78/38/566077838.db2.gz IYOKFFNUVNTZST-SNVBAGLBSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCCC[C@H]1C ZINC000248432001 566079164 /nfs/dbraw/zinc/07/91/64/566079164.db2.gz VAHBFMAGRJGQTN-ZIAGYGMSSA-N -1 3 378.460 3.431 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC000180663838 566080496 /nfs/dbraw/zinc/08/04/96/566080496.db2.gz YNXLSFMPUAFBQA-UHFFFAOYSA-N -1 3 394.852 3.159 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180662337 566080882 /nfs/dbraw/zinc/08/08/82/566080882.db2.gz BIKNUKIJXXMBFY-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2csc(CC)n2)c1 ZINC000180720646 566083758 /nfs/dbraw/zinc/08/37/58/566083758.db2.gz ZNESFYILRWREPX-SNVBAGLBSA-N -1 3 386.470 3.061 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc2c(cc1Br)OCO2 ZINC000248614762 566083976 /nfs/dbraw/zinc/08/39/76/566083976.db2.gz ZBXSOJJCPGRSAS-HONMWMINSA-N -1 3 382.254 3.396 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1F ZINC000180731887 566084136 /nfs/dbraw/zinc/08/41/36/566084136.db2.gz LODXVIDABBAEFK-HOCLYGCPSA-N -1 3 375.343 3.052 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000416544821 566084744 /nfs/dbraw/zinc/08/47/44/566084744.db2.gz PKYCMHLNWCQFIQ-UHFFFAOYSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)o1 ZINC000416547841 566084772 /nfs/dbraw/zinc/08/47/72/566084772.db2.gz NNEOPWLYVOQIOF-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000180746922 566085382 /nfs/dbraw/zinc/08/53/82/566085382.db2.gz BXOSWAWOROCADJ-RISCZKNCSA-N -1 3 379.837 3.488 20 0 GGADHM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000416548667 566085490 /nfs/dbraw/zinc/08/54/90/566085490.db2.gz BOYDKJMLTUBXTD-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccn(C)n1 ZINC000416553485 566085898 /nfs/dbraw/zinc/08/58/98/566085898.db2.gz CKFAFIXDSHRQFR-SSDOTTSWSA-N -1 3 396.669 3.015 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 ZINC000180745432 566085971 /nfs/dbraw/zinc/08/59/71/566085971.db2.gz ADNVYVRVWJMYKE-HOTGVXAUSA-N -1 3 375.343 3.052 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)c(Cl)c1Cl ZINC000416548591 566086313 /nfs/dbraw/zinc/08/63/13/566086313.db2.gz OXKWRDREJYZQQX-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@]2(C)CC=CCC2)cc1 ZINC000416559912 566087239 /nfs/dbraw/zinc/08/72/39/566087239.db2.gz OZXUPMLAILGIMN-KRWDZBQOSA-N -1 3 386.539 3.006 20 0 GGADHM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000416557033 566087427 /nfs/dbraw/zinc/08/74/27/566087427.db2.gz MSVTYEYGKVVNQP-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)c(Br)c1 ZINC000416563497 566088173 /nfs/dbraw/zinc/08/81/73/566088173.db2.gz YQUPZXJHEUGIRW-OAHLLOKOSA-N -1 3 388.283 3.013 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]CC1(O)CCCCC1 ZINC000180775359 566088225 /nfs/dbraw/zinc/08/82/25/566088225.db2.gz XNVIAXMSXGAUMM-UHFFFAOYSA-N -1 3 396.734 3.217 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nccs2)c(F)cc1Br ZINC000416579234 566090412 /nfs/dbraw/zinc/09/04/12/566090412.db2.gz NWLQCRZMGNXCPZ-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cnccc1C(C)(C)C ZINC000416582001 566090515 /nfs/dbraw/zinc/09/05/15/566090515.db2.gz GCSNRUBSHWBTNP-UHFFFAOYSA-N -1 3 382.507 3.014 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)s1 ZINC000416580064 566090670 /nfs/dbraw/zinc/09/06/70/566090670.db2.gz BWBLDORZQJDTFB-UHFFFAOYSA-N -1 3 379.429 3.333 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@](C)(OC)C2CC2)c(Cl)c1Cl ZINC000416580904 566090709 /nfs/dbraw/zinc/09/07/09/566090709.db2.gz CTIGSHSCKXNSHF-VFZGTOFNSA-N -1 3 382.309 3.484 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000416597431 566092320 /nfs/dbraw/zinc/09/23/20/566092320.db2.gz NOKJBLMSPGUYCX-LKFCYVNXSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H](C)O1 ZINC000416598153 566092404 /nfs/dbraw/zinc/09/24/04/566092404.db2.gz GQXPVJKBURBHQH-BBBLOLIVSA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H](C)O1 ZINC000416594870 566092500 /nfs/dbraw/zinc/09/25/00/566092500.db2.gz DUSNQSWVNQMRFE-OPRDCNLKSA-N -1 3 382.707 3.194 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000416595992 566092615 /nfs/dbraw/zinc/09/26/15/566092615.db2.gz QVGCBDONHSGKQE-UHFFFAOYSA-N -1 3 385.379 3.208 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H](C)O1 ZINC000416594867 566092922 /nfs/dbraw/zinc/09/29/22/566092922.db2.gz DUSNQSWVNQMRFE-BBBLOLIVSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br)C1CC1 ZINC000416598371 566093147 /nfs/dbraw/zinc/09/31/47/566093147.db2.gz OJXQODMTSJJYRH-NOZJJQNGSA-N -1 3 382.345 3.301 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CC1 ZINC000416602737 566093687 /nfs/dbraw/zinc/09/36/87/566093687.db2.gz RWWQADCYBVJMOS-XPTSAGLGSA-N -1 3 380.279 3.070 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)cc1Cl ZINC000416608213 566094879 /nfs/dbraw/zinc/09/48/79/566094879.db2.gz REKGBQGFMMVRRF-QMMMGPOBSA-N -1 3 375.796 3.224 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C)O1 ZINC000416608818 566095200 /nfs/dbraw/zinc/09/52/00/566095200.db2.gz SOTAQWNBOIUNRK-UTLUCORTSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000416607281 566095466 /nfs/dbraw/zinc/09/54/66/566095466.db2.gz YSNRZPVJBSFCSY-XPTSAGLGSA-N -1 3 385.379 3.206 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@@H](C)O1 ZINC000416608817 566095480 /nfs/dbraw/zinc/09/54/80/566095480.db2.gz SOTAQWNBOIUNRK-OPRDCNLKSA-N -1 3 382.707 3.194 20 0 GGADHM COC1([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000416613402 566096535 /nfs/dbraw/zinc/09/65/35/566096535.db2.gz FLSWCZRZARPAIQ-VIFPVBQESA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(Br)c1)CC(F)(F)F ZINC000416612417 566096754 /nfs/dbraw/zinc/09/67/54/566096754.db2.gz YUHJIZIXDYZFMP-ZETCQYMHSA-N -1 3 378.185 3.455 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)sc1Br ZINC000416637616 566098834 /nfs/dbraw/zinc/09/88/34/566098834.db2.gz YPPYVFKADXZFGN-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3cc(Br)ccc3o2)n[n-]1 ZINC000180925222 566099886 /nfs/dbraw/zinc/09/98/86/566099886.db2.gz MGRDDLVCWVSHCZ-UHFFFAOYSA-N -1 3 378.182 3.347 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3cc(Br)ccc3o2)[n-]n1 ZINC000180925222 566099890 /nfs/dbraw/zinc/09/98/90/566099890.db2.gz MGRDDLVCWVSHCZ-UHFFFAOYSA-N -1 3 378.182 3.347 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CC(C)C)OC ZINC000416642762 566099904 /nfs/dbraw/zinc/09/99/04/566099904.db2.gz GMWGXNBWUSKMHH-DZGCQCFKSA-N -1 3 393.933 3.093 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n[n-]1 ZINC000180936092 566100897 /nfs/dbraw/zinc/10/08/97/566100897.db2.gz LWXRVJPCMCTNLE-NEPJUHHUSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)[n-]n1 ZINC000180936092 566100902 /nfs/dbraw/zinc/10/09/02/566100902.db2.gz LWXRVJPCMCTNLE-NEPJUHHUSA-N -1 3 378.226 3.091 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000416648639 566101066 /nfs/dbraw/zinc/10/10/66/566101066.db2.gz PATJDRPZPLZRNO-NSHDSACASA-N -1 3 382.482 3.297 20 0 GGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000249439492 566102889 /nfs/dbraw/zinc/10/28/89/566102889.db2.gz JKYGIDJSXITEBN-MJBXVCDLSA-N -1 3 375.918 3.468 20 0 GGADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2ncccc2[O-])cc1Cl ZINC000180990864 566104594 /nfs/dbraw/zinc/10/45/94/566104594.db2.gz QJXWYHYQTHYVSD-UHFFFAOYSA-N -1 3 375.841 3.061 20 0 GGADHM O=C(NCc1noc2c1CCCC2)NCc1ccc([O-])c(Br)c1 ZINC000289113957 566106598 /nfs/dbraw/zinc/10/65/98/566106598.db2.gz GRJWYMWJULWKAF-UHFFFAOYSA-N -1 3 380.242 3.021 20 0 GGADHM CCOC[C@@H](C)CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000289113733 566107214 /nfs/dbraw/zinc/10/72/14/566107214.db2.gz JYABDTISXSSFBT-VXGBXAGGSA-N -1 3 387.889 3.043 20 0 GGADHM CCOC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000252486841 566114818 /nfs/dbraw/zinc/11/48/18/566114818.db2.gz HPHKBKJNAHVKPU-LLVKDONJSA-N -1 3 394.946 3.245 20 0 GGADHM COc1cc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1SC ZINC000289418339 566121417 /nfs/dbraw/zinc/12/14/17/566121417.db2.gz HOONQBULKXFTKI-CYBMUJFWSA-N -1 3 376.444 3.308 20 0 GGADHM CCN(Cc1occc1C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000417043788 566121866 /nfs/dbraw/zinc/12/18/66/566121866.db2.gz PIIBWAYHJIVFSU-UHFFFAOYSA-N -1 3 377.242 3.474 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3cccs3)C2)c1F ZINC000181254998 566127118 /nfs/dbraw/zinc/12/71/18/566127118.db2.gz WEUVVMQJSDFKLK-HNNXBMFYSA-N -1 3 382.526 3.386 20 0 GGADHM COc1ccc(C[S@@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000417171135 566130133 /nfs/dbraw/zinc/13/01/33/566130133.db2.gz GAOYECPDHXHDEG-HSZRJFAPSA-N -1 3 397.294 3.280 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000181342380 566133615 /nfs/dbraw/zinc/13/36/15/566133615.db2.gz LZXUMNWBFPGAJQ-SNVBAGLBSA-N -1 3 395.893 3.255 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C)cc2SC)s1 ZINC000417208570 566135475 /nfs/dbraw/zinc/13/54/75/566135475.db2.gz BQXLYLYXRDTEOX-UHFFFAOYSA-N -1 3 385.536 3.008 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(Cl)c2)no1 ZINC000417231140 566139028 /nfs/dbraw/zinc/13/90/28/566139028.db2.gz MMDGHWWVMIHRNC-VIFPVBQESA-N -1 3 382.829 3.034 20 0 GGADHM C[C@H](NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262094576 566146506 /nfs/dbraw/zinc/14/65/06/566146506.db2.gz GTURUMRGKRMGEC-RRUGBERISA-N -1 3 385.291 3.357 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000181601727 566151486 /nfs/dbraw/zinc/15/14/86/566151486.db2.gz JQRLXDZNPRVAMP-WBVHZDCISA-N -1 3 383.901 3.001 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000181601710 566151864 /nfs/dbraw/zinc/15/18/64/566151864.db2.gz JQRLXDZNPRVAMP-DOTOQJQBSA-N -1 3 383.901 3.001 20 0 GGADHM O=S(=O)([N-]C[C@H]1NCCc2ccccc21)c1cc(Cl)sc1Cl ZINC000262526158 566154294 /nfs/dbraw/zinc/15/42/94/566154294.db2.gz OWCIJTBIOCYIOA-LLVKDONJSA-N -1 3 377.318 3.220 20 0 GGADHM CC(C)(C)c1ncc(CN[C@@H](Cc2cccc(Br)c2)C(=O)[O-])cn1 ZINC000417562082 566157462 /nfs/dbraw/zinc/15/74/62/566157462.db2.gz MAZKKWPJGHPISE-HNNXBMFYSA-N -1 3 392.297 3.322 20 0 GGADHM CC(C)(C)c1ncc(CN[C@H](Cc2cccc(Br)c2)C(=O)[O-])cn1 ZINC000417562083 566157539 /nfs/dbraw/zinc/15/75/39/566157539.db2.gz MAZKKWPJGHPISE-OAHLLOKOSA-N -1 3 392.297 3.322 20 0 GGADHM COc1cc(Br)c(CN[C@@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000262693973 566158296 /nfs/dbraw/zinc/15/82/96/566158296.db2.gz HDGXINACIXFLIR-HNNXBMFYSA-N -1 3 394.265 3.252 20 0 GGADHM Cc1nc(CN[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cs1 ZINC000417562087 566158401 /nfs/dbraw/zinc/15/84/01/566158401.db2.gz MBIHEUYJQVEFLI-CQSZACIVSA-N -1 3 394.294 3.481 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000417565724 566158805 /nfs/dbraw/zinc/15/88/05/566158805.db2.gz HJUNPEHRXNDHFH-GFCCVEGCSA-N -1 3 392.677 3.377 20 0 GGADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1ccc(Br)cn1 ZINC000417568076 566159930 /nfs/dbraw/zinc/15/99/30/566159930.db2.gz SYCZRWYQDRULIV-INIZCTEOSA-N -1 3 395.322 3.363 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262747415 566159994 /nfs/dbraw/zinc/15/99/94/566159994.db2.gz AQURJUARCYGVEM-BJOHPYRUSA-N -1 3 378.778 3.482 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1nc(Br)sc1C1CC1 ZINC000366601491 566161331 /nfs/dbraw/zinc/16/13/31/566161331.db2.gz LPXTTXHPIWZGDQ-UHFFFAOYSA-N -1 3 391.254 3.215 20 0 GGADHM CC(C)(CCCNCc1ccc(F)cc1I)C(=O)[O-] ZINC000417576005 566161384 /nfs/dbraw/zinc/16/13/84/566161384.db2.gz YQTCBQXFCOCQBX-UHFFFAOYSA-N -1 3 379.213 3.411 20 0 GGADHM Cc1cc(Br)c(CN[C@@H](CN2CCCCC2)C(=O)[O-])cc1Cl ZINC000417574354 566161901 /nfs/dbraw/zinc/16/19/01/566161901.db2.gz IGFYQIQUOIURLU-HNNXBMFYSA-N -1 3 389.721 3.440 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)n[n-]1 ZINC000181750597 566163327 /nfs/dbraw/zinc/16/33/27/566163327.db2.gz IWVRKMJWJDOWGH-UHFFFAOYSA-N -1 3 380.242 3.265 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)[n-]n1 ZINC000181750597 566163331 /nfs/dbraw/zinc/16/33/31/566163331.db2.gz IWVRKMJWJDOWGH-UHFFFAOYSA-N -1 3 380.242 3.265 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2ccc(Br)c(Cl)c2)C(=O)[O-])n1 ZINC000417581644 566163449 /nfs/dbraw/zinc/16/34/49/566163449.db2.gz UBAUCOMEEQRTHV-CQSZACIVSA-N -1 3 386.677 3.159 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000262866402 566163968 /nfs/dbraw/zinc/16/39/68/566163968.db2.gz UPVCOXJIEQTFSP-DYVFJYSZSA-N -1 3 397.313 3.298 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000417585682 566164774 /nfs/dbraw/zinc/16/47/74/566164774.db2.gz ZSYOGWAWYYOAQM-MRXNPFEDSA-N -1 3 379.913 3.492 20 0 GGADHM COc1cccc(C[C@H](NCc2ccc(OC)cc2Br)C(=O)[O-])c1 ZINC000417584234 566164881 /nfs/dbraw/zinc/16/48/81/566164881.db2.gz NBUPHFVZNLHUII-KRWDZBQOSA-N -1 3 394.265 3.252 20 0 GGADHM Cc1nnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)s1 ZINC000290294280 566165939 /nfs/dbraw/zinc/16/59/39/566165939.db2.gz WUYNYHMHCOQMTF-UHFFFAOYSA-N -1 3 385.820 3.040 20 0 GGADHM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1Br)[C@@H]1CCOC1 ZINC000417598248 566166123 /nfs/dbraw/zinc/16/61/23/566166123.db2.gz YHYUENADCNBDMO-PRHODGIISA-N -1 3 382.176 3.047 20 0 GGADHM O=C([O-])[C@@H](CC(F)F)NCc1cc(Br)cc(Br)c1 ZINC000417593067 566166211 /nfs/dbraw/zinc/16/62/11/566166211.db2.gz JTWVIJKNAXKKHS-SECBINFHSA-N -1 3 387.018 3.410 20 0 GGADHM O=C([O-])[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C(F)(F)F ZINC000262904164 566166358 /nfs/dbraw/zinc/16/63/58/566166358.db2.gz DZGOELFKGLIGKW-NXEZZACHSA-N -1 3 382.741 3.003 20 0 GGADHM CC(C)Cn1cc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417615757 566166793 /nfs/dbraw/zinc/16/67/93/566166793.db2.gz AGLMSFNHAWLQRJ-MRXNPFEDSA-N -1 3 380.286 3.087 20 0 GGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000417614062 566166973 /nfs/dbraw/zinc/16/69/73/566166973.db2.gz DOSJDHNLSYJUJK-ZJUUUORDSA-N -1 3 380.160 3.467 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417612530 566167365 /nfs/dbraw/zinc/16/73/65/566167365.db2.gz BYGSZWRFZGMGAL-WFASDCNBSA-N -1 3 376.254 3.062 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417612528 566167611 /nfs/dbraw/zinc/16/76/11/566167611.db2.gz BYGSZWRFZGMGAL-IUODEOHRSA-N -1 3 376.254 3.062 20 0 GGADHM O=C([O-])CSCCNCc1ccc(Br)c(Br)c1 ZINC000417628247 566167895 /nfs/dbraw/zinc/16/78/95/566167895.db2.gz VVEYRHGFFQACLY-UHFFFAOYSA-N -1 3 383.105 3.119 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)NCc1cnn(CC(F)F)c1 ZINC000417626888 566167961 /nfs/dbraw/zinc/16/79/61/566167961.db2.gz UDFVUNKWWQEXOZ-CYBMUJFWSA-N -1 3 378.206 3.241 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(Br)s1)C(=O)[O-] ZINC000417629897 566168551 /nfs/dbraw/zinc/16/85/51/566168551.db2.gz WAIZYYMWLFPORQ-SNVBAGLBSA-N -1 3 378.288 3.175 20 0 GGADHM Cc1cc(Br)cc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)c1OC(F)F ZINC000417628800 566168837 /nfs/dbraw/zinc/16/88/37/566168837.db2.gz WUBQMBRNNBZUEJ-CABZTGNLSA-N -1 3 376.197 3.478 20 0 GGADHM Cc1cc(Br)cc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1OC(F)F ZINC000417628799 566168945 /nfs/dbraw/zinc/16/89/45/566168945.db2.gz WUBQMBRNNBZUEJ-BXKDBHETSA-N -1 3 376.197 3.478 20 0 GGADHM CCOc1cccc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])n1 ZINC000417626732 566169079 /nfs/dbraw/zinc/16/90/79/566169079.db2.gz NLTMZPUQSYNBKY-HNNXBMFYSA-N -1 3 379.254 3.028 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1cc(Br)ccc1Cl)C(=O)[O-] ZINC000417652460 566169380 /nfs/dbraw/zinc/16/93/80/566169380.db2.gz AKDWMGYJMAASCP-LBPRGKRZSA-N -1 3 392.677 3.377 20 0 GGADHM CC(C)(C)n1cc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417635294 566170106 /nfs/dbraw/zinc/17/01/06/566170106.db2.gz WHUHSDQYIHZXAO-OAHLLOKOSA-N -1 3 380.286 3.186 20 0 GGADHM O=C([O-])C[C@H](CNCc1cc(Br)cc2c1OCC2)C(F)(F)F ZINC000417637225 566170121 /nfs/dbraw/zinc/17/01/21/566170121.db2.gz YVTPXKXSPQOVPA-SNVBAGLBSA-N -1 3 382.176 3.127 20 0 GGADHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC000366808596 566171043 /nfs/dbraw/zinc/17/10/43/566171043.db2.gz UXAREFUGXVXLSF-AWEZNQCLSA-N -1 3 382.844 3.255 20 0 GGADHM COc1cccc(C[C@H](CNCc2ccccc2Br)C(=O)[O-])c1 ZINC000417658342 566171148 /nfs/dbraw/zinc/17/11/48/566171148.db2.gz ZYYSUIBKDFHEKW-OAHLLOKOSA-N -1 3 378.266 3.491 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000417662753 566171403 /nfs/dbraw/zinc/17/14/03/566171403.db2.gz LWOQZKJXZOFXNW-LBPRGKRZSA-N -1 3 392.677 3.377 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c1 ZINC000290425950 566172286 /nfs/dbraw/zinc/17/22/86/566172286.db2.gz ADWSZJCMSYOXHL-UHFFFAOYSA-N -1 3 389.832 3.444 20 0 GGADHM CC(C)(CCNCc1c(Br)cncc1Br)C(=O)[O-] ZINC000263058609 566172361 /nfs/dbraw/zinc/17/23/61/566172361.db2.gz MCUHMNMAGILQRB-UHFFFAOYSA-N -1 3 380.080 3.197 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2c(F)cccc2Br)CCCC1 ZINC000290453323 566173442 /nfs/dbraw/zinc/17/34/42/566173442.db2.gz DLBYNGZNUNJFSR-UHFFFAOYSA-N -1 3 394.262 3.063 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263121357 566173916 /nfs/dbraw/zinc/17/39/16/566173916.db2.gz CHCMNWUTDHGMOD-WCABBAIRSA-N -1 3 378.778 3.338 20 0 GGADHM O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290470491 566174336 /nfs/dbraw/zinc/17/43/36/566174336.db2.gz WBOATAMVKQPJFZ-ZDUSSCGKSA-N -1 3 376.806 3.190 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(Cl)c1 ZINC000182140367 566185269 /nfs/dbraw/zinc/18/52/69/566185269.db2.gz YORNUFXLUMDKBW-UHFFFAOYSA-N -1 3 397.280 3.135 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC000263454825 566185461 /nfs/dbraw/zinc/18/54/61/566185461.db2.gz ANQSVNCBQIEVFR-APPDUMDISA-N -1 3 381.263 3.261 20 0 GGADHM C[C@@](O)(CNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)[O-] ZINC000263534961 566189192 /nfs/dbraw/zinc/18/91/92/566189192.db2.gz YQUMJWKBUYHJPC-GOSISDBHSA-N -1 3 384.259 3.498 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000263577795 566191560 /nfs/dbraw/zinc/19/15/60/566191560.db2.gz RWIZERLSSZVHQP-QGZVFWFLSA-N -1 3 376.254 3.203 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000263700500 566193344 /nfs/dbraw/zinc/19/33/44/566193344.db2.gz RCXIFHHNRSTFAF-UHFFFAOYSA-N -1 3 398.834 3.084 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000182324823 566196332 /nfs/dbraw/zinc/19/63/32/566196332.db2.gz YNCLWKRIGOJARQ-UHFFFAOYSA-N -1 3 396.774 3.486 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cs1 ZINC000290917026 566196379 /nfs/dbraw/zinc/19/63/79/566196379.db2.gz AVESSPIBRSNESC-ZETCQYMHSA-N -1 3 386.442 3.409 20 0 GGADHM COc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(Br)c1[O-] ZINC000290935189 566197045 /nfs/dbraw/zinc/19/70/45/566197045.db2.gz PHOFRUHZHPHTPB-GFCCVEGCSA-N -1 3 386.677 3.460 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCOC2)C1)c1cc2cc(Cl)ccc2s1 ZINC000367421319 566201340 /nfs/dbraw/zinc/20/13/40/566201340.db2.gz AKBKINNOSPFDNL-XJKSGUPXSA-N -1 3 387.910 3.171 20 0 GGADHM CCCNc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000182453132 566205626 /nfs/dbraw/zinc/20/56/26/566205626.db2.gz OZRDRXVRKHUPAG-UHFFFAOYSA-N -1 3 385.873 3.224 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000182474479 566206354 /nfs/dbraw/zinc/20/63/54/566206354.db2.gz RDNPGZWOZZRLQD-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM Cc1onc(-c2cccnc2)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000367596643 566208483 /nfs/dbraw/zinc/20/84/83/566208483.db2.gz IJHHPTOHDFMCCI-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1nc(C)cs1 ZINC000264324167 566210996 /nfs/dbraw/zinc/21/09/96/566210996.db2.gz QLARFNRWTBGVJF-LLVKDONJSA-N -1 3 376.301 3.039 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nnc2n1CCCCC2 ZINC000264545232 566217621 /nfs/dbraw/zinc/21/76/21/566217621.db2.gz NWJKFGSIYCRDLJ-ZDUSSCGKSA-N -1 3 386.880 3.227 20 0 GGADHM Cc1ccc(CN(CCO)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000182642319 566217846 /nfs/dbraw/zinc/21/78/46/566217846.db2.gz LBJNVTFQZJFALY-UHFFFAOYSA-N -1 3 393.281 3.167 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nnc2n1CCCCC2 ZINC000264547203 566217950 /nfs/dbraw/zinc/21/79/50/566217950.db2.gz OGXRBSITZYMMDW-ZDUSSCGKSA-N -1 3 386.880 3.227 20 0 GGADHM CC(C)OCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000182641365 566218047 /nfs/dbraw/zinc/21/80/47/566218047.db2.gz YBEWVCJCYDMRKS-UHFFFAOYSA-N -1 3 382.404 3.221 20 0 GGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1csc(COC)n1 ZINC000264659166 566220720 /nfs/dbraw/zinc/22/07/20/566220720.db2.gz RVHDIIKOKSMIDH-UHFFFAOYSA-N -1 3 382.463 3.291 20 0 GGADHM Cc1nc(Cc2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cs1 ZINC000264659222 566221507 /nfs/dbraw/zinc/22/15/07/566221507.db2.gz UKMWGTAPWSXPSJ-VIFPVBQESA-N -1 3 398.897 3.118 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCc3nn(C)cc3Br)nc2n1 ZINC000418803003 566224675 /nfs/dbraw/zinc/22/46/75/566224675.db2.gz KZJTVGAUWZSXEB-UHFFFAOYSA-N -1 3 380.271 3.136 20 0 GGADHM COC[C@@H](CSc1nc2nncc-2c(O)[n-]1)c1ccc(Br)cc1 ZINC000418814352 566225066 /nfs/dbraw/zinc/22/50/66/566225066.db2.gz GCKOZZDEFUHORM-JTQLQIEISA-N -1 3 395.282 3.343 20 0 GGADHM FC(F)(F)c1[n-]c(=NCCCOC[C@H]2CCOC2)sc1Br ZINC000418881641 566226966 /nfs/dbraw/zinc/22/69/66/566226966.db2.gz RFQMAZYFQCCUMG-MRVPVSSYSA-N -1 3 389.237 3.201 20 0 GGADHM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000182927787 566229984 /nfs/dbraw/zinc/22/99/84/566229984.db2.gz HMTAHANYHPGHPV-OAHLLOKOSA-N -1 3 383.286 3.045 20 0 GGADHM COC(=O)c1ccc(Br)cc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419033712 566230306 /nfs/dbraw/zinc/23/03/06/566230306.db2.gz YUMNSEJZTKGYRB-UHFFFAOYSA-N -1 3 379.210 3.188 20 0 GGADHM COC(=O)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(Cl)c(F)c1 ZINC000182943412 566231232 /nfs/dbraw/zinc/23/12/32/566231232.db2.gz VLANHJQZYFPESP-MRXNPFEDSA-N -1 3 386.206 3.411 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1csc(NC2CC2)n1 ZINC000291715800 566231419 /nfs/dbraw/zinc/23/14/19/566231419.db2.gz QKAPQAZUSQVJDB-UHFFFAOYSA-N -1 3 378.479 3.020 20 0 GGADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000265235916 566232886 /nfs/dbraw/zinc/23/28/86/566232886.db2.gz IIMCQCQPSOPOSL-DEOSSOPVSA-N -1 3 381.519 3.401 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1[C@H](C)O ZINC000291742809 566232955 /nfs/dbraw/zinc/23/29/55/566232955.db2.gz RWUBAUAQVAKZDN-VIFPVBQESA-N -1 3 380.413 3.002 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000183012624 566234887 /nfs/dbraw/zinc/23/48/87/566234887.db2.gz WBFNXURCZYMUHH-VXGBXAGGSA-N -1 3 376.444 3.035 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000183012660 566235303 /nfs/dbraw/zinc/23/53/03/566235303.db2.gz WBFNXURCZYMUHH-NEPJUHHUSA-N -1 3 376.444 3.035 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000183041958 566236613 /nfs/dbraw/zinc/23/66/13/566236613.db2.gz MMEXNFMRZPZAHS-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM Cc1cccc([O-])c1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000183072107 566237271 /nfs/dbraw/zinc/23/72/71/566237271.db2.gz QLRUOEXYKQSWPE-UHFFFAOYSA-N -1 3 395.228 3.361 20 0 GGADHM Cc1nnc(Sc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)c(C)c2)s1 ZINC000265425475 566237275 /nfs/dbraw/zinc/23/72/75/566237275.db2.gz PTGJBOJMGXMJQZ-GFCCVEGCSA-N -1 3 385.536 3.227 20 0 GGADHM CSC[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000265522919 566238445 /nfs/dbraw/zinc/23/84/45/566238445.db2.gz AHPXVVBMKKLMPV-NSHDSACASA-N -1 3 385.917 3.157 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H](CC1CCC1)c1ccccc1 ZINC000183119700 566238680 /nfs/dbraw/zinc/23/86/80/566238680.db2.gz BQGDAWFDIKACBP-MRXNPFEDSA-N -1 3 378.519 3.074 20 0 GGADHM Cc1ccc(S(=O)(=O)CCCSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419582757 566239152 /nfs/dbraw/zinc/23/91/52/566239152.db2.gz GIAYALLPWUUFDU-UHFFFAOYSA-N -1 3 378.519 3.465 20 0 GGADHM O=c1cc(CSCCCS(=O)(=O)c2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000419588028 566239223 /nfs/dbraw/zinc/23/92/23/566239223.db2.gz OBBCWPTVBQKPML-UHFFFAOYSA-N -1 3 382.482 3.296 20 0 GGADHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000368490810 566240710 /nfs/dbraw/zinc/24/07/10/566240710.db2.gz DHINSQQKSBCWFT-CJNGLKHVSA-N -1 3 385.291 3.454 20 0 GGADHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000265796456 566241821 /nfs/dbraw/zinc/24/18/21/566241821.db2.gz NIJRPDFZBUIEDS-LBPRGKRZSA-N -1 3 393.818 3.448 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)n[n-]1 ZINC000183280037 566242336 /nfs/dbraw/zinc/24/23/36/566242336.db2.gz DIKDEDURRLXHLR-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[n-]n1 ZINC000183280037 566242338 /nfs/dbraw/zinc/24/23/38/566242338.db2.gz DIKDEDURRLXHLR-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000183270309 566242423 /nfs/dbraw/zinc/24/24/23/566242423.db2.gz NDYVSVBTQPKKOH-ZDUSSCGKSA-N -1 3 393.212 3.285 20 0 GGADHM O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc([O-])cc1F ZINC000183279588 566242456 /nfs/dbraw/zinc/24/24/56/566242456.db2.gz TXCZUWQSKMPFDQ-UHFFFAOYSA-N -1 3 381.201 3.052 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2ccn(C(F)F)n2)ccc1F ZINC000419719415 566242698 /nfs/dbraw/zinc/24/26/98/566242698.db2.gz XJANIGJUQLWFDD-UHFFFAOYSA-N -1 3 376.404 3.106 20 0 GGADHM Cc1cc(I)ccc1NC(=O)c1cccc2nn[n-]c21 ZINC000183295281 566243126 /nfs/dbraw/zinc/24/31/26/566243126.db2.gz NDGLEVCSEGNDRG-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1cc(I)ccc1NC(=O)c1cccc2[n-]nnc21 ZINC000183295281 566243129 /nfs/dbraw/zinc/24/31/29/566243129.db2.gz NDGLEVCSEGNDRG-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1cc(I)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000183295281 566243132 /nfs/dbraw/zinc/24/31/32/566243132.db2.gz NDGLEVCSEGNDRG-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000183317446 566243734 /nfs/dbraw/zinc/24/37/34/566243734.db2.gz JCPOIHXUAHKSOW-ZJUUUORDSA-N -1 3 388.536 3.046 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000183382537 566245948 /nfs/dbraw/zinc/24/59/48/566245948.db2.gz AIFUOQNQEFYELJ-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)c2nccs2)s1 ZINC000266136622 566246536 /nfs/dbraw/zinc/24/65/36/566246536.db2.gz GWQAXHDNGFZMIT-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000266189065 566246906 /nfs/dbraw/zinc/24/69/06/566246906.db2.gz UINRGBUNIWQIFN-BXUZGUMPSA-N -1 3 384.910 3.042 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)s1 ZINC000266209747 566247040 /nfs/dbraw/zinc/24/70/40/566247040.db2.gz QESQCBRCMLPILO-UHFFFAOYSA-N -1 3 396.719 3.049 20 0 GGADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)cc1 ZINC000462120808 566250590 /nfs/dbraw/zinc/25/05/90/566250590.db2.gz LUPYNJLSLZRPKH-UHFFFAOYSA-N -1 3 379.865 3.291 20 0 GGADHM O=S(=O)([N-]Cc1cn2ccccc2n1)c1cc(Cl)ccc1C(F)(F)F ZINC000508915983 566250768 /nfs/dbraw/zinc/25/07/68/566250768.db2.gz ONIDCLHHVHVGAO-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000462122381 566251206 /nfs/dbraw/zinc/25/12/06/566251206.db2.gz SXHZKBWLOSCHDK-ZDUSSCGKSA-N -1 3 382.707 3.196 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)C2(c3cc(Br)ccc3OC)CC2)c1C ZINC000419879952 566251640 /nfs/dbraw/zinc/25/16/40/566251640.db2.gz TVEWENFVDYKUGX-UHFFFAOYSA-N -1 3 378.270 3.144 20 0 GGADHM O=C(CNC(=O)C1CCCCC1)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419918877 566251659 /nfs/dbraw/zinc/25/16/59/566251659.db2.gz AKRDLVUYZFELDQ-UHFFFAOYSA-N -1 3 396.241 3.332 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1cccc(Cl)c1F ZINC000462130393 566252143 /nfs/dbraw/zinc/25/21/43/566252143.db2.gz JALZAYSDHMGLNO-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462129842 566252479 /nfs/dbraw/zinc/25/24/79/566252479.db2.gz HHRRFZIXEILMPU-SWLSCSKDSA-N -1 3 391.436 3.211 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1ccc(Br)c(F)c1 ZINC000462131156 566252547 /nfs/dbraw/zinc/25/25/47/566252547.db2.gz YFJVDMOTTZZUFI-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc(Cl)c(C)c1 ZINC000462131385 566252859 /nfs/dbraw/zinc/25/28/59/566252859.db2.gz NEGTVXMXORVXJH-UHFFFAOYSA-N -1 3 385.844 3.095 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000462131413 566253468 /nfs/dbraw/zinc/25/34/68/566253468.db2.gz AOCIEWKULVAAJF-CABCVRRESA-N -1 3 381.295 3.459 20 0 GGADHM Cc1nn(C)c(C)c1OCC(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419943963 566253663 /nfs/dbraw/zinc/25/36/63/566253663.db2.gz JPJKQWBJUNWAPH-UHFFFAOYSA-N -1 3 395.213 3.065 20 0 GGADHM O=C(CN1CCCCCCC1=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419943887 566253723 /nfs/dbraw/zinc/25/37/23/566253723.db2.gz JIOQKDRQRYUMCR-UHFFFAOYSA-N -1 3 396.241 3.428 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)c2ccc(Br)cn2)nc1C(C)C ZINC000462139346 566254187 /nfs/dbraw/zinc/25/41/87/566254187.db2.gz NCJYDLAUKVBRET-UHFFFAOYSA-N -1 3 390.328 3.211 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1cccc(Cl)c1 ZINC000575156435 566254231 /nfs/dbraw/zinc/25/42/31/566254231.db2.gz UZVORQFGASOJAK-OAHLLOKOSA-N -1 3 380.853 3.288 20 0 GGADHM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419960363 566254374 /nfs/dbraw/zinc/25/43/74/566254374.db2.gz YDZNPLYEZILPBU-ZJUUUORDSA-N -1 3 385.214 3.220 20 0 GGADHM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419960360 566254693 /nfs/dbraw/zinc/25/46/93/566254693.db2.gz YDZNPLYEZILPBU-NXEZZACHSA-N -1 3 385.214 3.220 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2COCc3ccccc32)s1 ZINC000575155985 566254927 /nfs/dbraw/zinc/25/49/27/566254927.db2.gz WSLZTLNSTVFAHV-ZDUSSCGKSA-N -1 3 388.308 3.369 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)cc1F ZINC000444875962 566255757 /nfs/dbraw/zinc/25/57/57/566255757.db2.gz RDDZBDSDTDNAPH-HNNXBMFYSA-N -1 3 381.450 3.128 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)cs1 ZINC000462149815 566255910 /nfs/dbraw/zinc/25/59/10/566255910.db2.gz GQMMNEKUNWUQTA-SECBINFHSA-N -1 3 388.898 3.185 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462151473 566256251 /nfs/dbraw/zinc/25/62/51/566256251.db2.gz PBFRDZMVQGQPBM-GFCCVEGCSA-N -1 3 395.388 3.362 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c(Br)c1 ZINC000481850401 566257027 /nfs/dbraw/zinc/25/70/27/566257027.db2.gz WZPBSVSYQMQSLZ-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM Cc1ccc(C)c2sc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)nc21 ZINC000599369184 566257206 /nfs/dbraw/zinc/25/72/06/566257206.db2.gz ZETOCZGEHOBWKU-LLVKDONJSA-N -1 3 395.531 3.280 20 0 GGADHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000462155996 566257771 /nfs/dbraw/zinc/25/77/71/566257771.db2.gz GAEPXWMAMSSQQV-AWEZNQCLSA-N -1 3 383.491 3.363 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)cc1F ZINC000444882947 566258205 /nfs/dbraw/zinc/25/82/05/566258205.db2.gz ZQRAATJOMWVMMI-UHFFFAOYSA-N -1 3 383.466 3.073 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OC(C)(C)C ZINC000575178846 566258293 /nfs/dbraw/zinc/25/82/93/566258293.db2.gz XWEKHTRGHKVFCJ-SNVBAGLBSA-N -1 3 398.344 3.218 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)s1 ZINC000462171478 566258649 /nfs/dbraw/zinc/25/86/49/566258649.db2.gz OQPZVXJXKVYNBG-UHFFFAOYSA-N -1 3 390.280 3.026 20 0 GGADHM Cc1c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cnn1-c1ccccc1 ZINC000509071740 566258776 /nfs/dbraw/zinc/25/87/76/566258776.db2.gz RLSZDBMHXXGLRL-UHFFFAOYSA-N -1 3 396.248 3.265 20 0 GGADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462165523 566259184 /nfs/dbraw/zinc/25/91/84/566259184.db2.gz QKEFLJYJZQZMOX-UHFFFAOYSA-N -1 3 394.294 3.155 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1coc(-c2ccccc2)n1 ZINC000509071089 566259212 /nfs/dbraw/zinc/25/92/12/566259212.db2.gz VDFAQUZPXTVYKL-UHFFFAOYSA-N -1 3 383.205 3.426 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000481873163 566259858 /nfs/dbraw/zinc/25/98/58/566259858.db2.gz YCUZVMDPUNXAHI-UHFFFAOYSA-N -1 3 380.853 3.424 20 0 GGADHM CCCCCC(=O)NC1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000624952092 566259997 /nfs/dbraw/zinc/25/99/97/566259997.db2.gz MOHKGXMHINICFR-UHFFFAOYSA-N -1 3 397.313 3.456 20 0 GGADHM O=C(CCOc1ccc(Cl)cc1Cl)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481887609 566261291 /nfs/dbraw/zinc/26/12/91/566261291.db2.gz CYGGSBJCKFDLRV-UHFFFAOYSA-N -1 3 383.157 3.216 20 0 GGADHM O=C(CCOc1ccc(Cl)cc1Cl)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481887609 566261299 /nfs/dbraw/zinc/26/12/99/566261299.db2.gz CYGGSBJCKFDLRV-UHFFFAOYSA-N -1 3 383.157 3.216 20 0 GGADHM O=C(CCOc1ccc(Cl)cc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481887609 566261303 /nfs/dbraw/zinc/26/13/03/566261303.db2.gz CYGGSBJCKFDLRV-UHFFFAOYSA-N -1 3 383.157 3.216 20 0 GGADHM Cc1ncccc1CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000509082830 566261400 /nfs/dbraw/zinc/26/14/00/566261400.db2.gz XFEYFMJEXNLHFC-UHFFFAOYSA-N -1 3 389.228 3.285 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1F ZINC000555936509 566261914 /nfs/dbraw/zinc/26/19/14/566261914.db2.gz QPQASFGTIWAFAS-UHFFFAOYSA-N -1 3 392.830 3.485 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000509075476 566261882 /nfs/dbraw/zinc/26/18/82/566261882.db2.gz TWTAHWMPHCJXCK-UHFFFAOYSA-N -1 3 375.368 3.186 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1OC ZINC000481885097 566262016 /nfs/dbraw/zinc/26/20/16/566262016.db2.gz YVJFRMKDLKHFCZ-UHFFFAOYSA-N -1 3 384.885 3.220 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccc(SC)cc2)cs1 ZINC000534883354 566262325 /nfs/dbraw/zinc/26/23/25/566262325.db2.gz KTMXVFUQHNLULR-UHFFFAOYSA-N -1 3 399.563 3.190 20 0 GGADHM Cc1ccn(C2CCN(C(=O)Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000509106410 566263080 /nfs/dbraw/zinc/26/30/80/566263080.db2.gz DKROFWLXHYZZHT-UHFFFAOYSA-N -1 3 378.270 3.066 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481906195 566263145 /nfs/dbraw/zinc/26/31/45/566263145.db2.gz RIPDQGQPOBHCDX-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481906195 566263156 /nfs/dbraw/zinc/26/31/56/566263156.db2.gz RIPDQGQPOBHCDX-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481906195 566263161 /nfs/dbraw/zinc/26/31/61/566263161.db2.gz RIPDQGQPOBHCDX-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM CCCCN(C)CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481917973 566263348 /nfs/dbraw/zinc/26/33/48/566263348.db2.gz PUAXZDBBTUZZGP-UHFFFAOYSA-N -1 3 385.896 3.273 20 0 GGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481937770 566266813 /nfs/dbraw/zinc/26/68/13/566266813.db2.gz LMCKRRHVVUAKTG-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481937770 566266823 /nfs/dbraw/zinc/26/68/23/566266823.db2.gz LMCKRRHVVUAKTG-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481937770 566266830 /nfs/dbraw/zinc/26/68/30/566266830.db2.gz LMCKRRHVVUAKTG-LURJTMIESA-N -1 3 383.157 3.214 20 0 GGADHM COc1ccc(OC)c(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000481943288 566266926 /nfs/dbraw/zinc/26/69/26/566266926.db2.gz IPAOTNXPSLAXLR-UHFFFAOYSA-N -1 3 395.253 3.171 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2SC)cc1F ZINC000445054538 566266966 /nfs/dbraw/zinc/26/69/66/566266966.db2.gz UPVUQYXTMLBNFV-UHFFFAOYSA-N -1 3 383.466 3.121 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1cccc(Cl)c1Cl ZINC000481942782 566267057 /nfs/dbraw/zinc/26/70/57/566267057.db2.gz KPIPLHIZBOTAFN-UHFFFAOYSA-N -1 3 382.066 3.374 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)cc1F ZINC000575347208 566267365 /nfs/dbraw/zinc/26/73/65/566267365.db2.gz PJSFQSJBKKALRJ-HNNXBMFYSA-N -1 3 375.824 3.329 20 0 GGADHM C[C@H]1[C@@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCCN1C ZINC000481933869 566267738 /nfs/dbraw/zinc/26/77/38/566267738.db2.gz RUXZPHPAWXFBHH-CABZTGNLSA-N -1 3 383.880 3.024 20 0 GGADHM O=S(=O)([N-]CC1CCN(C2CC2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000445086679 566267917 /nfs/dbraw/zinc/26/79/17/566267917.db2.gz WYIZEVRFNSEQOB-UHFFFAOYSA-N -1 3 381.300 3.285 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C1CCOCC1 ZINC000625039259 566268460 /nfs/dbraw/zinc/26/84/60/566268460.db2.gz XORMVUZUYLYOGZ-CQSZACIVSA-N -1 3 394.306 3.380 20 0 GGADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)n1 ZINC000462251053 566268774 /nfs/dbraw/zinc/26/87/74/566268774.db2.gz DBVGOTBCANZECG-SECBINFHSA-N -1 3 380.495 3.325 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(Cl)cc2cccnc21 ZINC000599490832 566268944 /nfs/dbraw/zinc/26/89/44/566268944.db2.gz IBPGUCOWBWMZHJ-UHFFFAOYSA-N -1 3 395.893 3.452 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)s1 ZINC000625028791 566269064 /nfs/dbraw/zinc/26/90/64/566269064.db2.gz MVNWTKHDGRHHGC-UHFFFAOYSA-N -1 3 393.303 3.394 20 0 GGADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCC1)c1ccc(Br)cn1 ZINC000462260427 566270651 /nfs/dbraw/zinc/27/06/51/566270651.db2.gz VYWBYTIIAYHSSS-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM O=C([O-])c1cnn(C2CCN(CCOc3cccc(Br)c3)CC2)c1 ZINC000575412985 566271679 /nfs/dbraw/zinc/27/16/79/566271679.db2.gz RPTCXXRVQMWJPL-UHFFFAOYSA-N -1 3 394.269 3.060 20 0 GGADHM CSc1cccc(S(=O)(=O)[N-][C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 ZINC000509187406 566272949 /nfs/dbraw/zinc/27/29/49/566272949.db2.gz PKZUEUFNFXOKGP-AWEZNQCLSA-N -1 3 393.456 3.341 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)c(Br)c1 ZINC000462282030 566273083 /nfs/dbraw/zinc/27/30/83/566273083.db2.gz TWEIPYJYJCFBFC-UMSPYCQHSA-N -1 3 390.299 3.093 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCOC(C)(C)C1 ZINC000625086782 566273712 /nfs/dbraw/zinc/27/37/12/566273712.db2.gz REYQDUSYYSTTAM-JTQLQIEISA-N -1 3 380.279 3.133 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(C)(C)c2cccc(Cl)c2)s1 ZINC000575457511 566273962 /nfs/dbraw/zinc/27/39/62/566273962.db2.gz ZLPNRZSJEWRPBQ-UHFFFAOYSA-N -1 3 387.914 3.011 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)cc1 ZINC000575455215 566274213 /nfs/dbraw/zinc/27/42/13/566274213.db2.gz PXLBMEPLERHBOZ-HSZRJFAPSA-N -1 3 387.910 3.166 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000509199382 566274635 /nfs/dbraw/zinc/27/46/35/566274635.db2.gz WYLWUQFERDNSIE-UHFFFAOYSA-N -1 3 395.200 3.394 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509203438 566274903 /nfs/dbraw/zinc/27/49/03/566274903.db2.gz QLSJSAJFLMLFEX-UHFFFAOYSA-N -1 3 376.821 3.476 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000625093001 566275162 /nfs/dbraw/zinc/27/51/62/566275162.db2.gz ZBXXKOLDFQAKCE-QMMMGPOBSA-N -1 3 379.290 3.360 20 0 GGADHM CCCNC(=O)C1(NC(=O)c2cc([O-])cc(Br)c2)CCCCC1 ZINC000625099974 566275739 /nfs/dbraw/zinc/27/57/39/566275739.db2.gz PTRROCKMVOCQCL-UHFFFAOYSA-N -1 3 383.286 3.114 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2sc3ccc(C)cc3c2C)s1 ZINC000445249591 566276499 /nfs/dbraw/zinc/27/64/99/566276499.db2.gz CVICPIZGWNCCTH-UHFFFAOYSA-N -1 3 394.543 3.418 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cc(F)c(F)c(F)c1 ZINC000462301379 566278674 /nfs/dbraw/zinc/27/86/74/566278674.db2.gz WGRHSJMDPSIWQP-GFCCVEGCSA-N -1 3 379.306 3.184 20 0 GGADHM CC[C@@H](CC(F)(F)F)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482043285 566279106 /nfs/dbraw/zinc/27/91/06/566279106.db2.gz DDSPMVPCJGMHNB-VIFPVBQESA-N -1 3 379.180 3.371 20 0 GGADHM CCn1c(=O)[n-]nc1S[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000648405795 566279147 /nfs/dbraw/zinc/27/91/47/566279147.db2.gz VUAXLEFZTNZHCV-LLVKDONJSA-N -1 3 381.527 3.307 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000575634518 566279289 /nfs/dbraw/zinc/27/92/89/566279289.db2.gz YQRGEJCYSCYMHU-ZFWWWQNUSA-N -1 3 398.937 3.132 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1c(Cl)cccc1Br ZINC000509221238 566279454 /nfs/dbraw/zinc/27/94/54/566279454.db2.gz XRQRLLCHRCVEFX-NSHDSACASA-N -1 3 396.734 3.322 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n(C2CCN(C)CC2)n1 ZINC000535137892 566280186 /nfs/dbraw/zinc/28/01/86/566280186.db2.gz NKAYSTXZRGAKLP-UHFFFAOYSA-N -1 3 386.880 3.052 20 0 GGADHM O=S(=O)([N-]CCNc1ncccc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000556260513 566280465 /nfs/dbraw/zinc/28/04/65/566280465.db2.gz NNYBZJKXSDYGQO-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM CN(Cc1ccc(F)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482070414 566280754 /nfs/dbraw/zinc/28/07/54/566280754.db2.gz DVEZKBOKLQDSLL-UHFFFAOYSA-N -1 3 377.217 3.322 20 0 GGADHM COc1ccccc1CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482072036 566281426 /nfs/dbraw/zinc/28/14/26/566281426.db2.gz HZOOCNBYEBWVLV-UHFFFAOYSA-N -1 3 389.253 3.191 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCc2sccc2C1 ZINC000482074169 566281719 /nfs/dbraw/zinc/28/17/19/566281719.db2.gz BTQHDIYXJZREJO-UHFFFAOYSA-N -1 3 377.267 3.170 20 0 GGADHM COc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(C)c1OC ZINC000648431332 566282314 /nfs/dbraw/zinc/28/23/14/566282314.db2.gz RAIHGYWKXGPSHB-UHFFFAOYSA-N -1 3 377.750 3.099 20 0 GGADHM C[C@H]1Cc2ccccc2CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482086612 566282376 /nfs/dbraw/zinc/28/23/76/566282376.db2.gz YDQXMIMDQGHZFU-LBPRGKRZSA-N -1 3 385.265 3.497 20 0 GGADHM CN(CC1(O)CCCCCC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482082096 566282503 /nfs/dbraw/zinc/28/25/03/566282503.db2.gz XMNBXNAVDKZQBV-UHFFFAOYSA-N -1 3 395.301 3.068 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(CC)(CC)CC)cc1 ZINC000462326680 566282527 /nfs/dbraw/zinc/28/25/27/566282527.db2.gz LOGUXACTKMXGHP-UHFFFAOYSA-N -1 3 390.571 3.476 20 0 GGADHM C[C@@H](OCc1ccc(F)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431142 566283124 /nfs/dbraw/zinc/28/31/24/566283124.db2.gz JLUPHRBSBIIXHH-SECBINFHSA-N -1 3 379.741 3.204 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cc(F)cc(Cl)c1 ZINC000535157485 566283129 /nfs/dbraw/zinc/28/31/29/566283129.db2.gz YUKKDBHUMCLENF-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)Cc2ccccc2C1 ZINC000462321098 566283188 /nfs/dbraw/zinc/28/31/88/566283188.db2.gz LVWLQLCRSJYVMP-UHFFFAOYSA-N -1 3 399.343 3.371 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)nc1 ZINC000648431415 566283350 /nfs/dbraw/zinc/28/33/50/566283350.db2.gz VXNSKXODSKOAFM-UHFFFAOYSA-N -1 3 376.766 3.345 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCC2 ZINC000462323634 566283517 /nfs/dbraw/zinc/28/35/17/566283517.db2.gz DBPDXVHDHRTYBZ-KGLIPLIRSA-N -1 3 381.391 3.471 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCc2cc(F)ccc21 ZINC000482082490 566283611 /nfs/dbraw/zinc/28/36/11/566283611.db2.gz YDZHHJRTEICHQQ-OAHLLOKOSA-N -1 3 389.228 3.467 20 0 GGADHM CCOCc1nc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000648431295 566283725 /nfs/dbraw/zinc/28/37/25/566283725.db2.gz PTOIGCZUAXYDKY-UHFFFAOYSA-N -1 3 382.795 3.074 20 0 GGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000462329320 566284341 /nfs/dbraw/zinc/28/43/41/566284341.db2.gz WEUOYVNXKTUQRA-UHFFFAOYSA-N -1 3 376.507 3.074 20 0 GGADHM CCc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cnn1C(C)(C)C ZINC000648432718 566284347 /nfs/dbraw/zinc/28/43/47/566284347.db2.gz GBPKIZCWSMPBIG-UHFFFAOYSA-N -1 3 377.798 3.287 20 0 GGADHM COc1ccc(C(C)(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648432162 566284366 /nfs/dbraw/zinc/28/43/66/566284366.db2.gz RSOJLSBJQGPEQZ-UHFFFAOYSA-N -1 3 375.778 3.446 20 0 GGADHM CCO[C@H](CCNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)C ZINC000482106199 566285029 /nfs/dbraw/zinc/28/50/29/566285029.db2.gz SPVSIYYTQUXURS-CQSZACIVSA-N -1 3 383.290 3.091 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC000462327571 566285027 /nfs/dbraw/zinc/28/50/27/566285027.db2.gz OUEVZBFLXWEATH-UONOGXRCSA-N -1 3 381.391 3.471 20 0 GGADHM C[C@@H](Cc1cccs1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113903 566285240 /nfs/dbraw/zinc/28/52/40/566285240.db2.gz MRFPPNBRGWHONV-JTQLQIEISA-N -1 3 379.283 3.333 20 0 GGADHM CCCOc1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1OCCC ZINC000648438761 566285194 /nfs/dbraw/zinc/28/51/94/566285194.db2.gz SVCHENOPXSYRSQ-UHFFFAOYSA-N -1 3 396.285 3.434 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1csc([C@H]2CCCO2)n1 ZINC000648432193 566285261 /nfs/dbraw/zinc/28/52/61/566285261.db2.gz SVVRUKSQPCOUTB-SECBINFHSA-N -1 3 380.779 3.081 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC000462327572 566285248 /nfs/dbraw/zinc/28/52/48/566285248.db2.gz OUEVZBFLXWEATH-ZIAGYGMSSA-N -1 3 381.391 3.471 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]CCc2cnc(SC3CCCC3)nc2)c1 ZINC000556324836 566285239 /nfs/dbraw/zinc/28/52/39/566285239.db2.gz XNNYCNGJPSLHLL-UHFFFAOYSA-N -1 3 383.564 3.402 20 0 GGADHM COc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc(OC)c1C ZINC000648433858 566285390 /nfs/dbraw/zinc/28/53/90/566285390.db2.gz RDEGBDGSVDXLII-UHFFFAOYSA-N -1 3 377.750 3.099 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1C ZINC000625158398 566285414 /nfs/dbraw/zinc/28/54/14/566285414.db2.gz HGCNIKAYAZWBFK-LBPRGKRZSA-N -1 3 385.770 3.103 20 0 GGADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N=c1[n-]n(C)cc1Br ZINC000648439000 566285559 /nfs/dbraw/zinc/28/55/59/566285559.db2.gz CVHDFAKKBLQMDT-LBPRGKRZSA-N -1 3 380.286 3.442 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(CC[C@@H]4CCOC4)n3)[n-]2)c1 ZINC000556331315 566285636 /nfs/dbraw/zinc/28/56/36/566285636.db2.gz FNWJYFOGCFVHNR-SNVBAGLBSA-N -1 3 390.241 3.253 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(CC[C@@H]4CCOC4)n3)n2)c1 ZINC000556331315 566285642 /nfs/dbraw/zinc/28/56/42/566285642.db2.gz FNWJYFOGCFVHNR-SNVBAGLBSA-N -1 3 390.241 3.253 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(CC[C@@H]4CCOC4)n3)n[n-]2)c1 ZINC000556331315 566285644 /nfs/dbraw/zinc/28/56/44/566285644.db2.gz FNWJYFOGCFVHNR-SNVBAGLBSA-N -1 3 390.241 3.253 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(CC[C@H]4CCOC4)n3)[n-]2)c1 ZINC000556331314 566285956 /nfs/dbraw/zinc/28/59/56/566285956.db2.gz FNWJYFOGCFVHNR-JTQLQIEISA-N -1 3 390.241 3.253 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(CC[C@H]4CCOC4)n3)n2)c1 ZINC000556331314 566285959 /nfs/dbraw/zinc/28/59/59/566285959.db2.gz FNWJYFOGCFVHNR-JTQLQIEISA-N -1 3 390.241 3.253 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(CC[C@H]4CCOC4)n3)n[n-]2)c1 ZINC000556331314 566285962 /nfs/dbraw/zinc/28/59/62/566285962.db2.gz FNWJYFOGCFVHNR-JTQLQIEISA-N -1 3 390.241 3.253 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC=C(C(F)(F)F)CC1 ZINC000482139956 566286279 /nfs/dbraw/zinc/28/62/79/566286279.db2.gz JGTZZDXLGBPPOQ-UHFFFAOYSA-N -1 3 389.175 3.245 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(COc2cccc(Cl)c2Cl)no1 ZINC000420525715 566287864 /nfs/dbraw/zinc/28/78/64/566287864.db2.gz ZXJUMQRZZBZPBB-UHFFFAOYSA-N -1 3 394.280 3.175 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2cnn(-c3ccccc3Br)c2)cs1 ZINC000535231706 566288378 /nfs/dbraw/zinc/28/83/78/566288378.db2.gz TUYOZDVVOGENJO-UHFFFAOYSA-N -1 3 392.282 3.197 20 0 GGADHM Cc1cccc(OCCNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482156127 566288417 /nfs/dbraw/zinc/28/84/17/566288417.db2.gz CTKZNQVTHGBAHQ-UHFFFAOYSA-N -1 3 389.253 3.028 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1cccc(F)c1F ZINC000482170809 566288881 /nfs/dbraw/zinc/28/88/81/566288881.db2.gz SGZDDHXKBOGACD-UHFFFAOYSA-N -1 3 395.207 3.161 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCc2ccsc2C1 ZINC000482164734 566289196 /nfs/dbraw/zinc/28/91/96/566289196.db2.gz BMKCNENHLNFARV-UHFFFAOYSA-N -1 3 377.267 3.170 20 0 GGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625207755 566289214 /nfs/dbraw/zinc/28/92/14/566289214.db2.gz ZNZLJPARKCJWLO-UHFFFAOYSA-N -1 3 392.424 3.065 20 0 GGADHM COCC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)(C)C ZINC000482179266 566290193 /nfs/dbraw/zinc/29/01/93/566290193.db2.gz ADMYKRSVAGYJBN-CYBMUJFWSA-N -1 3 383.290 3.091 20 0 GGADHM CCn1nccc1C1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000509312291 566290240 /nfs/dbraw/zinc/29/02/40/566290240.db2.gz ZTCMZNYSVNBRQB-UHFFFAOYSA-N -1 3 392.297 3.320 20 0 GGADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000462365361 566290945 /nfs/dbraw/zinc/29/09/45/566290945.db2.gz KYDJBRHJDRLGEY-UHFFFAOYSA-N -1 3 376.865 3.285 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC1=CCCCC1 ZINC000556357148 566290938 /nfs/dbraw/zinc/29/09/38/566290938.db2.gz MHUYTXHAMDVZIS-UHFFFAOYSA-N -1 3 391.320 3.278 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2c(C)noc2C)s1 ZINC000462361515 566291324 /nfs/dbraw/zinc/29/13/24/566291324.db2.gz YPCNDMJQJKXOSJ-ZETCQYMHSA-N -1 3 393.328 3.333 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1cccs1 ZINC000420643163 566291372 /nfs/dbraw/zinc/29/13/72/566291372.db2.gz FVKFMHTYMWSOGT-LLVKDONJSA-N -1 3 394.440 3.070 20 0 GGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000482209939 566291773 /nfs/dbraw/zinc/29/17/73/566291773.db2.gz KXHNYKLSATYJQE-QWRGUYRKSA-N -1 3 378.947 3.011 20 0 GGADHM Cc1ccc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1F ZINC000482203804 566292493 /nfs/dbraw/zinc/29/24/93/566292493.db2.gz AQXJZHPDUJOPMV-UHFFFAOYSA-N -1 3 377.217 3.288 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1cc(F)ccc1OC(F)F ZINC000420660277 566292582 /nfs/dbraw/zinc/29/25/82/566292582.db2.gz JSBXPGICUZCBMV-QWHCGFSZSA-N -1 3 375.343 3.401 20 0 GGADHM CC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nccs1 ZINC000482217507 566293663 /nfs/dbraw/zinc/29/36/63/566293663.db2.gz XNFNEGHKVWSFCA-LLVKDONJSA-N -1 3 380.271 3.248 20 0 GGADHM CC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nccs1 ZINC000482217510 566294055 /nfs/dbraw/zinc/29/40/55/566294055.db2.gz XNFNEGHKVWSFCA-NSHDSACASA-N -1 3 380.271 3.248 20 0 GGADHM Cc1cc(C)c(Br)c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000482231869 566294203 /nfs/dbraw/zinc/29/42/03/566294203.db2.gz OTMIRNXDAFGTAL-UHFFFAOYSA-N -1 3 377.164 3.133 20 0 GGADHM Cc1cc(C)c(Br)c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000482231869 566294206 /nfs/dbraw/zinc/29/42/06/566294206.db2.gz OTMIRNXDAFGTAL-UHFFFAOYSA-N -1 3 377.164 3.133 20 0 GGADHM Cc1cc(C)c(Br)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482231869 566294217 /nfs/dbraw/zinc/29/42/17/566294217.db2.gz OTMIRNXDAFGTAL-UHFFFAOYSA-N -1 3 377.164 3.133 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H]2CCCO[C@H]21 ZINC000420664135 566294352 /nfs/dbraw/zinc/29/43/52/566294352.db2.gz ACBMYUKKFSGYBW-ZLKJLUDKSA-N -1 3 395.855 3.423 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1ccsc1 ZINC000420661299 566294720 /nfs/dbraw/zinc/29/47/20/566294720.db2.gz ZJFLKYFGVHTXRE-LBPRGKRZSA-N -1 3 394.440 3.070 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482231371 566294778 /nfs/dbraw/zinc/29/47/78/566294778.db2.gz KSRINEIOSUGUFE-WBMJQRKESA-N -1 3 395.301 3.091 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234072 566295018 /nfs/dbraw/zinc/29/50/18/566295018.db2.gz VPOVJCTUVLFXMC-QWHCGFSZSA-N -1 3 383.315 3.314 20 0 GGADHM COCc1nc([N-]C(=O)c2sc(C(F)(F)F)nc2C)sc1C(=O)OC ZINC000462390513 566295011 /nfs/dbraw/zinc/29/50/11/566295011.db2.gz UZWMZGAOLFXDHB-UHFFFAOYSA-N -1 3 395.384 3.112 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cc1C(F)(F)F ZINC000556397071 566295508 /nfs/dbraw/zinc/29/55/08/566295508.db2.gz AUIBMSZGJCIBIX-SSDOTTSWSA-N -1 3 393.305 3.111 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C12CCC2 ZINC000420674615 566295728 /nfs/dbraw/zinc/29/57/28/566295728.db2.gz NGJPUCXYHRUKPK-KGLIPLIRSA-N -1 3 379.400 3.053 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000482234423 566296389 /nfs/dbraw/zinc/29/63/89/566296389.db2.gz XSKUFTYNYVBNSC-JFIYKMOQSA-N -1 3 397.276 3.226 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000420670216 566296385 /nfs/dbraw/zinc/29/63/85/566296385.db2.gz HICMZMXFWUYRSA-SJORKVTESA-N -1 3 380.535 3.080 20 0 GGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420674996 566296500 /nfs/dbraw/zinc/29/65/00/566296500.db2.gz NZDXZGBRZYEFRA-UHFFFAOYSA-N -1 3 399.843 3.342 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)nc1 ZINC000625243283 566296787 /nfs/dbraw/zinc/29/67/87/566296787.db2.gz ORHQLHSHYAYGEO-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM CCCN(C[C@@H]1CCCCO1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482238973 566297073 /nfs/dbraw/zinc/29/70/73/566297073.db2.gz KTJAPWQJEBKVLU-HNNXBMFYSA-N -1 3 395.301 3.332 20 0 GGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(-c3ccc(Cl)s3)no2)CC1 ZINC000445556457 566297068 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/nfs/dbraw/zinc/30/96/89/566309689.db2.gz MZBVVLGZGSBELS-ZDUSSCGKSA-N -1 3 383.844 3.017 20 0 GGADHM CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC)OCC ZINC000625339129 566309822 /nfs/dbraw/zinc/30/98/22/566309822.db2.gz HBRVAQMQBVCCKW-SNVBAGLBSA-N -1 3 398.294 3.080 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1nc(C(F)(F)F)cs1 ZINC000420730883 566309874 /nfs/dbraw/zinc/30/98/74/566309874.db2.gz SBKPGQSABGWDRH-QMMMGPOBSA-N -1 3 378.397 3.136 20 0 GGADHM O=S(=O)([N-][C@H]1Cc2cccc(O)c2C1)c1cc(Cl)ccc1OC(F)F ZINC000420729624 566309913 /nfs/dbraw/zinc/30/99/13/566309913.db2.gz QTZOAZNHTQURSM-NSHDSACASA-N -1 3 389.807 3.093 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420723994 566309999 /nfs/dbraw/zinc/30/99/99/566309999.db2.gz KSSOIPDNWULAOC-UHFFFAOYSA-N -1 3 378.372 3.246 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC000462484772 566310459 /nfs/dbraw/zinc/31/04/59/566310459.db2.gz LHOSQHVHJITKFM-IUODEOHRSA-N -1 3 384.270 3.498 20 0 GGADHM C[C@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Br)c1 ZINC000462487616 566310463 /nfs/dbraw/zinc/31/04/63/566310463.db2.gz GDHNEJXCCNNNQA-ZETCQYMHSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000462487616 566310465 /nfs/dbraw/zinc/31/04/65/566310465.db2.gz GDHNEJXCCNNNQA-ZETCQYMHSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Br)c1 ZINC000462487616 566310466 /nfs/dbraw/zinc/31/04/66/566310466.db2.gz GDHNEJXCCNNNQA-ZETCQYMHSA-N -1 3 377.164 3.006 20 0 GGADHM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000600011052 566310526 /nfs/dbraw/zinc/31/05/26/566310526.db2.gz NXWPGTWYHBUNMQ-JTQLQIEISA-N -1 3 384.270 3.490 20 0 GGADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000462489263 566310629 /nfs/dbraw/zinc/31/06/29/566310629.db2.gz CVEKBHJKWTZOIK-GFCCVEGCSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000462489263 566310636 /nfs/dbraw/zinc/31/06/36/566310636.db2.gz CVEKBHJKWTZOIK-GFCCVEGCSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000462489263 566310641 /nfs/dbraw/zinc/31/06/41/566310641.db2.gz CVEKBHJKWTZOIK-GFCCVEGCSA-N -1 3 376.766 3.197 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC000462484774 566310821 /nfs/dbraw/zinc/31/08/21/566310821.db2.gz LHOSQHVHJITKFM-SWLSCSKDSA-N -1 3 384.270 3.498 20 0 GGADHM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482476826 566310955 /nfs/dbraw/zinc/31/09/55/566310955.db2.gz KUBOKASQWBVZQC-JTQLQIEISA-N -1 3 387.274 3.074 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1cc(Cl)ccc1OC(F)F ZINC000420733691 566311250 /nfs/dbraw/zinc/31/12/50/566311250.db2.gz TUOOAUVYTQZEMX-JTQLQIEISA-N -1 3 389.807 3.396 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCCCCC1 ZINC000556565045 566312045 /nfs/dbraw/zinc/31/20/45/566312045.db2.gz KZKZMRZPSLHABU-UHFFFAOYSA-N -1 3 393.336 3.453 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)CC(C)C ZINC000462497189 566312032 /nfs/dbraw/zinc/31/20/32/566312032.db2.gz WFDRFGMTDRFTMX-LLVKDONJSA-N -1 3 382.309 3.248 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C1(O)CCCC1 ZINC000420746402 566312544 /nfs/dbraw/zinc/31/25/44/566312544.db2.gz HZTUVPSQSAMKBJ-UHFFFAOYSA-N -1 3 381.416 3.037 20 0 GGADHM O=S(=O)([N-]CCNc1ccnc2ccsc21)c1ccc(F)cc1Cl ZINC000509518782 566312958 /nfs/dbraw/zinc/31/29/58/566312958.db2.gz YVRYCPATKKUFJY-UHFFFAOYSA-N -1 3 385.873 3.479 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1ccc(Br)cn1 ZINC000462501565 566313827 /nfs/dbraw/zinc/31/38/27/566313827.db2.gz DWBBRDUNBSFAMQ-ZDUSSCGKSA-N -1 3 387.686 3.463 20 0 GGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420751217 566314775 /nfs/dbraw/zinc/31/47/75/566314775.db2.gz OLAZXUQRWNSMFX-SECBINFHSA-N -1 3 395.321 3.063 20 0 GGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462513720 566315461 /nfs/dbraw/zinc/31/54/61/566315461.db2.gz NWPUZBUMZSYUFN-NSHDSACASA-N -1 3 378.288 3.093 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420761773 566315970 /nfs/dbraw/zinc/31/59/70/566315970.db2.gz YXONTFYKASVYTN-JTQLQIEISA-N -1 3 383.844 3.425 20 0 GGADHM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462515517 566316050 /nfs/dbraw/zinc/31/60/50/566316050.db2.gz DUDSEBSRABUKLH-UHFFFAOYSA-N -1 3 399.310 3.325 20 0 GGADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C12CCC2 ZINC000420761721 566316272 /nfs/dbraw/zinc/31/62/72/566316272.db2.gz YTMDTPVTRSXBLT-QWHCGFSZSA-N -1 3 381.828 3.177 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCc2cccc(C)n2)sc1Br ZINC000509591141 566319270 /nfs/dbraw/zinc/31/92/70/566319270.db2.gz HFYUEDWQYMMZCW-UHFFFAOYSA-N -1 3 389.340 3.434 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1Cc2ccccc2C1 ZINC000482588940 566319753 /nfs/dbraw/zinc/31/97/53/566319753.db2.gz RKAPIMVPYWFTEJ-UHFFFAOYSA-N -1 3 375.266 3.369 20 0 GGADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)N(C)c1ccccc1 ZINC000482580380 566319809 /nfs/dbraw/zinc/31/98/09/566319809.db2.gz QLTAQERYGMDKHL-CYBMUJFWSA-N -1 3 392.297 3.479 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCOCC12CCCC2 ZINC000535712168 566320106 /nfs/dbraw/zinc/32/01/06/566320106.db2.gz HCKVWEVBRCEMRQ-UHFFFAOYSA-N -1 3 391.265 3.076 20 0 GGADHM CCCN(C)[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000509615616 566320541 /nfs/dbraw/zinc/32/05/41/566320541.db2.gz GVUGQNQXAYXEAP-INIZCTEOSA-N -1 3 385.917 3.306 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)sc1Br ZINC000535692785 566320526 /nfs/dbraw/zinc/32/05/26/566320526.db2.gz MQNCFJDAFIVZRS-MRVPVSSYSA-N -1 3 393.332 3.100 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2n[nH]c(C(C)C)n2)sc1Br ZINC000535692785 566320531 /nfs/dbraw/zinc/32/05/31/566320531.db2.gz MQNCFJDAFIVZRS-MRVPVSSYSA-N -1 3 393.332 3.100 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)sc1Br ZINC000535692786 566321103 /nfs/dbraw/zinc/32/11/03/566321103.db2.gz MQNCFJDAFIVZRS-QMMMGPOBSA-N -1 3 393.332 3.100 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2n[nH]c(C(C)C)n2)sc1Br ZINC000535692786 566321109 /nfs/dbraw/zinc/32/11/09/566321109.db2.gz MQNCFJDAFIVZRS-QMMMGPOBSA-N -1 3 393.332 3.100 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1Br)c1cc(F)c(F)c(F)c1 ZINC000462556065 566321802 /nfs/dbraw/zinc/32/18/02/566321802.db2.gz YBHKAHCIMBRDSZ-UHFFFAOYSA-N -1 3 398.175 3.484 20 0 GGADHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462547802 566321880 /nfs/dbraw/zinc/32/18/80/566321880.db2.gz IUDRXPCRCFTLCU-UHFFFAOYSA-N -1 3 399.310 3.290 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000509633557 566322220 /nfs/dbraw/zinc/32/22/20/566322220.db2.gz AIARWGQXIQXEQH-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM O=C(NCCCc1cccc(Br)c1)c1cc(F)cc2nn[n-]c21 ZINC000669703389 566322287 /nfs/dbraw/zinc/32/22/87/566322287.db2.gz VBKVOFGQFPEILK-UHFFFAOYSA-N -1 3 377.217 3.222 20 0 GGADHM O=C(NCCCc1cccc(Br)c1)c1cc(F)cc2[n-]nnc21 ZINC000669703389 566322292 /nfs/dbraw/zinc/32/22/92/566322292.db2.gz VBKVOFGQFPEILK-UHFFFAOYSA-N -1 3 377.217 3.222 20 0 GGADHM O=C(NCCCc1cccc(Br)c1)c1cc(F)cc2n[n-]nc21 ZINC000669703389 566322297 /nfs/dbraw/zinc/32/22/97/566322297.db2.gz VBKVOFGQFPEILK-UHFFFAOYSA-N -1 3 377.217 3.222 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000509635673 566322968 /nfs/dbraw/zinc/32/29/68/566322968.db2.gz FTYATBWLXUFGIT-UHFFFAOYSA-N -1 3 376.375 3.459 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2c(F)cc(Br)cc2C1 ZINC000669710147 566323053 /nfs/dbraw/zinc/32/30/53/566323053.db2.gz FFHLKBVOIBBDIT-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2c(F)cc(Br)cc2C1 ZINC000669710147 566323059 /nfs/dbraw/zinc/32/30/59/566323059.db2.gz FFHLKBVOIBBDIT-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2c(F)cc(Br)cc2C1 ZINC000669710147 566323062 /nfs/dbraw/zinc/32/30/62/566323062.db2.gz FFHLKBVOIBBDIT-UHFFFAOYSA-N -1 3 393.191 3.197 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1F ZINC000462557035 566323357 /nfs/dbraw/zinc/32/33/57/566323357.db2.gz VVDLLZRNOIHQAG-UHFFFAOYSA-N -1 3 376.375 3.048 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@H](C)CC ZINC000462564324 566323813 /nfs/dbraw/zinc/32/38/13/566323813.db2.gz GGBMDPQCKLWTRL-YMTOWFKASA-N -1 3 398.308 3.258 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H](C)CC ZINC000462568375 566325682 /nfs/dbraw/zinc/32/56/82/566325682.db2.gz YEFZWLCVFOBHJD-RNCFNFMXSA-N -1 3 385.379 3.101 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c(C)cn1 ZINC000535769330 566325767 /nfs/dbraw/zinc/32/57/67/566325767.db2.gz HMLUKSLFJQVTNQ-UHFFFAOYSA-N -1 3 393.665 3.476 20 0 GGADHM Cc1ccc(-c2csc([N-]C(=O)c3sccc3S(N)(=O)=O)n2)cc1C ZINC000669787908 566327178 /nfs/dbraw/zinc/32/71/78/566327178.db2.gz GIMRHFAKBKUPGA-UHFFFAOYSA-N -1 3 393.515 3.388 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1F)Oc1cccc(Br)c1 ZINC000462581519 566327381 /nfs/dbraw/zinc/32/73/81/566327381.db2.gz RFPUEHNMWGPMRF-NSHDSACASA-N -1 3 388.258 3.334 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)N2CCCC2)o1 ZINC000509679099 566327699 /nfs/dbraw/zinc/32/76/99/566327699.db2.gz COUNWNPMOHJWCW-OAHLLOKOSA-N -1 3 386.876 3.496 20 0 GGADHM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]CC(=O)c1ccc(Cl)cc1F ZINC000625500114 566329595 /nfs/dbraw/zinc/32/95/95/566329595.db2.gz NSNUCPVSFJAGTB-LBPRGKRZSA-N -1 3 391.892 3.177 20 0 GGADHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-]CC(=O)c1ccc(Cl)cc1F ZINC000625500112 566330500 /nfs/dbraw/zinc/33/05/00/566330500.db2.gz NSNUCPVSFJAGTB-GFCCVEGCSA-N -1 3 391.892 3.177 20 0 GGADHM O=S(=O)([N-]CCNCc1cscc1Cl)c1ccc(F)cc1Cl ZINC000669832751 566331049 /nfs/dbraw/zinc/33/10/49/566331049.db2.gz GNPWHOILUPWOGO-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nc(C)n1 ZINC000509717672 566331705 /nfs/dbraw/zinc/33/17/05/566331705.db2.gz HJEPFZCYMANCQB-UHFFFAOYSA-N -1 3 379.791 3.244 20 0 GGADHM Cc1nc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)s1 ZINC000669851908 566332766 /nfs/dbraw/zinc/33/27/66/566332766.db2.gz CXIXOBANCIDNRQ-SECBINFHSA-N -1 3 391.921 3.182 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CCCC1 ZINC000625546274 566333383 /nfs/dbraw/zinc/33/33/83/566333383.db2.gz NJKQOISYXJBZFK-UHFFFAOYSA-N -1 3 380.691 3.140 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2ccsc2)c(-c2ccccc2)s1 ZINC000509719205 566333404 /nfs/dbraw/zinc/33/34/04/566333404.db2.gz NDKYMKZCXHEWPZ-UHFFFAOYSA-N -1 3 380.516 3.497 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCCC1 ZINC000625547184 566333724 /nfs/dbraw/zinc/33/37/24/566333724.db2.gz YZNGEWMUHKJGPD-UHFFFAOYSA-N -1 3 380.691 3.140 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)c[nH]1 ZINC000625548091 566333823 /nfs/dbraw/zinc/33/38/23/566333823.db2.gz BMGDBAMJPQHIEH-UHFFFAOYSA-N -1 3 376.265 3.001 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(Br)cc1F ZINC000446161857 566333768 /nfs/dbraw/zinc/33/37/68/566333768.db2.gz LNVJODKKDKPTAF-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(Br)cc1F ZINC000446161857 566333778 /nfs/dbraw/zinc/33/37/78/566333778.db2.gz LNVJODKKDKPTAF-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000462639124 566334742 /nfs/dbraw/zinc/33/47/42/566334742.db2.gz JIFRIYSSPSBBOF-MQMHXKEQSA-N -1 3 399.244 3.009 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2OC)c1 ZINC000462629872 566334896 /nfs/dbraw/zinc/33/48/96/566334896.db2.gz GMLOTTOKYRSLSU-LBPRGKRZSA-N -1 3 385.869 3.103 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cncc(Br)c1)Sc1ccccc1 ZINC000462631781 566334946 /nfs/dbraw/zinc/33/49/46/566334946.db2.gz ZPPDDPGUQPQDSG-LLVKDONJSA-N -1 3 387.324 3.303 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1ccc(Br)c(F)c1 ZINC000556830839 566335372 /nfs/dbraw/zinc/33/53/72/566335372.db2.gz YIXNHQMVJBOMLQ-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM CC[C@H](C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)N(C)C ZINC000482822266 566336026 /nfs/dbraw/zinc/33/60/26/566336026.db2.gz DRUAILLZXGODRM-CYBMUJFWSA-N -1 3 385.693 3.193 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000509772275 566336340 /nfs/dbraw/zinc/33/63/40/566336340.db2.gz PUNWCRBTYCCBAD-PELKAZGASA-N -1 3 386.823 3.261 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccsc1 ZINC000509764790 566336364 /nfs/dbraw/zinc/33/63/64/566336364.db2.gz HDNCFZLOTORBBZ-GFCCVEGCSA-N -1 3 385.816 3.432 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446225008 566336448 /nfs/dbraw/zinc/33/64/48/566336448.db2.gz DHJMZQYAYOQPBM-LBPRGKRZSA-N -1 3 393.212 3.036 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)C[C@@H]2CCCO2)nc1-c1ccc(Cl)cc1 ZINC000509787188 566337429 /nfs/dbraw/zinc/33/74/29/566337429.db2.gz HACXQWWPTUVPLA-AWEZNQCLSA-N -1 3 386.926 3.370 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000482837135 566337707 /nfs/dbraw/zinc/33/77/07/566337707.db2.gz FFNPBCQBLDTQFB-ZDUSSCGKSA-N -1 3 378.885 3.144 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]C[C@H](OCC2CC2)c2ccc(Cl)cc2)on1 ZINC000509783185 566338089 /nfs/dbraw/zinc/33/80/89/566338089.db2.gz PREMQUNFYSEYEM-KRWDZBQOSA-N -1 3 384.885 3.224 20 0 GGADHM O=C(Cc1cc[nH]c(=O)c1Br)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000446230970 566338515 /nfs/dbraw/zinc/33/85/15/566338515.db2.gz GVDTVPGCGOGGPF-UHFFFAOYSA-N -1 3 391.143 3.455 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000462669014 566338466 /nfs/dbraw/zinc/33/84/66/566338466.db2.gz PRIUASBTWNCQOO-JTQLQIEISA-N -1 3 387.889 3.210 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccsc1 ZINC000669960375 566338488 /nfs/dbraw/zinc/33/84/88/566338488.db2.gz QUYMTRAVETZKTP-SNVBAGLBSA-N -1 3 383.470 3.211 20 0 GGADHM COc1cc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)ccc1[O-] ZINC000509812832 566339020 /nfs/dbraw/zinc/33/90/20/566339020.db2.gz UGSMHMKNOOPZRY-UHFFFAOYSA-N -1 3 382.247 3.065 20 0 GGADHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000462685017 566339584 /nfs/dbraw/zinc/33/95/84/566339584.db2.gz USEFSTOHIHEKCC-LBPRGKRZSA-N -1 3 395.786 3.266 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cccc(OCc2cccs2)c1 ZINC000556885246 566340097 /nfs/dbraw/zinc/34/00/97/566340097.db2.gz NMVADIIIBPLERI-UHFFFAOYSA-N -1 3 378.251 3.487 20 0 GGADHM CC(C)(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C1(O)CCOCC1 ZINC000576372182 566340453 /nfs/dbraw/zinc/34/04/53/566340453.db2.gz NJULTOOHRUELSA-UHFFFAOYSA-N -1 3 383.901 3.089 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462674605 566340424 /nfs/dbraw/zinc/34/04/24/566340424.db2.gz KMKVJIUYCCTSSR-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CC(=O)c1cccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)c1[O-] ZINC000556892029 566340939 /nfs/dbraw/zinc/34/09/39/566340939.db2.gz GKDXFVOJYYCJQR-UHFFFAOYSA-N -1 3 392.205 3.381 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1[O-] ZINC000509834523 566341240 /nfs/dbraw/zinc/34/12/40/566341240.db2.gz NPHSEMCXOXLKBU-QGZVFWFLSA-N -1 3 392.249 3.377 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000576397798 566341611 /nfs/dbraw/zinc/34/16/11/566341611.db2.gz PHZPYIWYDCIOLP-UHFFFAOYSA-N -1 3 398.893 3.081 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CN1C1CC1 ZINC000509861916 566342486 /nfs/dbraw/zinc/34/24/86/566342486.db2.gz DIJNOMQGVQKRAW-MWLCHTKSSA-N -1 3 382.835 3.262 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000462702286 566343462 /nfs/dbraw/zinc/34/34/62/566343462.db2.gz HFFVXTIBDNNSKZ-GFCCVEGCSA-N -1 3 388.272 3.229 20 0 GGADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000462698668 566343620 /nfs/dbraw/zinc/34/36/20/566343620.db2.gz QWLOMCMTPREQEU-LBPRGKRZSA-N -1 3 385.869 3.103 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000509866445 566343787 /nfs/dbraw/zinc/34/37/87/566343787.db2.gz OXUKTAKCTNBMGL-UHFFFAOYSA-N -1 3 394.802 3.283 20 0 GGADHM COC(=O)[C@@H](CNC(=O)Nc1ccsc1Cl)Cc1ccc([O-])c(F)c1 ZINC000421104372 566343969 /nfs/dbraw/zinc/34/39/69/566343969.db2.gz YNTMFFHURYWIJL-SNVBAGLBSA-N -1 3 386.832 3.400 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1C(F)(F)F ZINC000509878310 566344103 /nfs/dbraw/zinc/34/41/03/566344103.db2.gz MPWYWGPFOVWEDQ-LLVKDONJSA-N -1 3 379.791 3.438 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1C(F)(F)F ZINC000509878311 566344503 /nfs/dbraw/zinc/34/45/03/566344503.db2.gz MPWYWGPFOVWEDQ-NSHDSACASA-N -1 3 379.791 3.438 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000462707081 566344969 /nfs/dbraw/zinc/34/49/69/566344969.db2.gz PKQXNXBCSBWVCU-AWEZNQCLSA-N -1 3 377.865 3.269 20 0 GGADHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509893684 566345757 /nfs/dbraw/zinc/34/57/57/566345757.db2.gz MBRQGZZXULGKFN-RNCFNFMXSA-N -1 3 382.835 3.120 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509893686 566345940 /nfs/dbraw/zinc/34/59/40/566345940.db2.gz MBRQGZZXULGKFN-ZANVPECISA-N -1 3 382.835 3.120 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000625629673 566346013 /nfs/dbraw/zinc/34/60/13/566346013.db2.gz VIGGSLSITFYQJS-ZDUSSCGKSA-N -1 3 392.308 3.242 20 0 GGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462712589 566345928 /nfs/dbraw/zinc/34/59/28/566345928.db2.gz XZMDIKSIJRCGOG-QWRGUYRKSA-N -1 3 392.315 3.339 20 0 GGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000462714031 566346461 /nfs/dbraw/zinc/34/64/61/566346461.db2.gz CMFNXCKUOGWAKJ-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000462709084 566346505 /nfs/dbraw/zinc/34/65/05/566346505.db2.gz XUYFXCSRQNGFPC-CQSZACIVSA-N -1 3 377.865 3.269 20 0 GGADHM C[C@@H](C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)n1cccn1 ZINC000446367206 566346494 /nfs/dbraw/zinc/34/64/94/566346494.db2.gz RYDCOUPFLHVJKW-VIFPVBQESA-N -1 3 394.660 3.311 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 ZINC000462709810 566346755 /nfs/dbraw/zinc/34/67/55/566346755.db2.gz KWRQMPCZTOKVEI-NHYWBVRUSA-N -1 3 399.299 3.466 20 0 GGADHM O=C1NCCCN(Cc2cc([O-])ccc2Br)[C@H]1Cc1ccccc1 ZINC000556933886 566347022 /nfs/dbraw/zinc/34/70/22/566347022.db2.gz PCUMRTXWGLFPHI-SFHVURJKSA-N -1 3 389.293 3.088 20 0 GGADHM CCCc1nc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)co1 ZINC000509925778 566348888 /nfs/dbraw/zinc/34/88/88/566348888.db2.gz LBGHCXQKCCHTNM-UHFFFAOYSA-N -1 3 390.241 3.282 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000421152256 566348979 /nfs/dbraw/zinc/34/89/79/566348979.db2.gz KSNSICCEWMWJQK-WHEQGISXSA-N -1 3 381.947 3.021 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCCCC1 ZINC000462731882 566349613 /nfs/dbraw/zinc/34/96/13/566349613.db2.gz YWPMUVPNJSTBQU-ZDUSSCGKSA-N -1 3 377.865 3.269 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1)OC ZINC000421149436 566349645 /nfs/dbraw/zinc/34/96/45/566349645.db2.gz GAOQSPLZXVCSDB-GFCCVEGCSA-N -1 3 386.857 3.352 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(Cl)c1)OC ZINC000421146315 566350018 /nfs/dbraw/zinc/35/00/18/566350018.db2.gz BXYOOXQOEGELOH-SNVBAGLBSA-N -1 3 375.796 3.448 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)ccc1Br ZINC000421152640 566350025 /nfs/dbraw/zinc/35/00/25/566350025.db2.gz LBLBANBBIBFELX-GFCCVEGCSA-N -1 3 380.304 3.261 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000421152258 566350160 /nfs/dbraw/zinc/35/01/60/566350160.db2.gz KSNSICCEWMWJQK-XMHCIUCPSA-N -1 3 381.947 3.021 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCCCC2)c1)OC ZINC000421162687 566350896 /nfs/dbraw/zinc/35/08/96/566350896.db2.gz ZULZQFAOBAPAKQ-XDHUDOTRSA-N -1 3 387.567 3.435 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@@](=O)c2ccccc2)c1)OC ZINC000421157679 566350931 /nfs/dbraw/zinc/35/09/31/566350931.db2.gz QVPDCUMUJUCBFZ-BXKMTCNYSA-N -1 3 381.519 3.161 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(C[S@@](=O)c2ccccc2)c1)OC ZINC000421157680 566350975 /nfs/dbraw/zinc/35/09/75/566350975.db2.gz QVPDCUMUJUCBFZ-MZNJEOGPSA-N -1 3 381.519 3.161 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1)OC ZINC000421153101 566351050 /nfs/dbraw/zinc/35/10/50/566351050.db2.gz LBEPNECXNLTJRL-CYBMUJFWSA-N -1 3 387.395 3.270 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1 ZINC000421157284 566351239 /nfs/dbraw/zinc/35/12/39/566351239.db2.gz RIPQRIXZLIAKNF-GFCCVEGCSA-N -1 3 380.304 3.261 20 0 GGADHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1nc(C(C)(C)C)cs1 ZINC000483012636 566352236 /nfs/dbraw/zinc/35/22/36/566352236.db2.gz KEAFQKSHMWFQSR-ZETCQYMHSA-N -1 3 376.408 3.138 20 0 GGADHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1nc(C(C)(C)C)cs1 ZINC000483012636 566352244 /nfs/dbraw/zinc/35/22/44/566352244.db2.gz KEAFQKSHMWFQSR-ZETCQYMHSA-N -1 3 376.408 3.138 20 0 GGADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1nc(C(C)(C)C)cs1 ZINC000483012636 566352249 /nfs/dbraw/zinc/35/22/49/566352249.db2.gz KEAFQKSHMWFQSR-ZETCQYMHSA-N -1 3 376.408 3.138 20 0 GGADHM CCCCOCCN(C(=O)c1cc(=O)[n-]cn1)c1ccc(Br)cc1 ZINC000625713140 566354864 /nfs/dbraw/zinc/35/48/64/566354864.db2.gz NHTVSEBFMPWYLH-UHFFFAOYSA-N -1 3 394.269 3.408 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000536164548 566355454 /nfs/dbraw/zinc/35/54/54/566355454.db2.gz CLGCFNSLAJCIGU-UHFFFAOYSA-N -1 3 383.466 3.121 20 0 GGADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3F)n2)co1 ZINC000483064491 566356544 /nfs/dbraw/zinc/35/65/44/566356544.db2.gz WMDZMUJIKGRLKQ-UHFFFAOYSA-N -1 3 380.177 3.176 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000510027714 566357264 /nfs/dbraw/zinc/35/72/64/566357264.db2.gz FLJDVBVUXHNTNN-ZDUSSCGKSA-N -1 3 377.846 3.123 20 0 GGADHM O=C([N-]c1nc2cc(Br)ccn2n1)c1csc([C@H]2CCCO2)n1 ZINC000576564051 566357639 /nfs/dbraw/zinc/35/76/39/566357639.db2.gz ZFYVCQVLOPSGOC-SNVBAGLBSA-N -1 3 394.254 3.052 20 0 GGADHM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000576552914 566357758 /nfs/dbraw/zinc/35/77/58/566357758.db2.gz KEITWUTVIRIQMR-ZDUSSCGKSA-N -1 3 394.534 3.175 20 0 GGADHM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-]c1ccnn1CCN(C)C ZINC000421253471 566360267 /nfs/dbraw/zinc/36/02/67/566360267.db2.gz XDQJZPALLUNXKG-UHFFFAOYSA-N -1 3 378.523 3.077 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCCCCC1 ZINC000557094467 566360347 /nfs/dbraw/zinc/36/03/47/566360347.db2.gz HQKQKHBSBNHWSL-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000421249335 566360511 /nfs/dbraw/zinc/36/05/11/566360511.db2.gz MCDVAQSRLGHBFZ-SFHVURJKSA-N -1 3 386.583 3.038 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000421248946 566360636 /nfs/dbraw/zinc/36/06/36/566360636.db2.gz LKAXKNUMVHPZEX-VIFPVBQESA-N -1 3 385.711 3.300 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccsc2Cl)CC1)c1cccs1 ZINC000483143378 566360722 /nfs/dbraw/zinc/36/07/22/566360722.db2.gz KQGYUEPPACROBW-UHFFFAOYSA-N -1 3 376.956 3.406 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1cccc(Cl)c1 ZINC000576617128 566362965 /nfs/dbraw/zinc/36/29/65/566362965.db2.gz ULWFUYGXKDHHEJ-KRWDZBQOSA-N -1 3 385.869 3.023 20 0 GGADHM O=C([N-]c1nncn1C1CC1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000557109567 566363229 /nfs/dbraw/zinc/36/32/29/566363229.db2.gz DRZPTXJVPLUDKM-UHFFFAOYSA-N -1 3 392.188 3.422 20 0 GGADHM C[C@@H](CC1CCCCC1)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000446714553 566363665 /nfs/dbraw/zinc/36/36/65/566363665.db2.gz KMLIHXZXANXBAV-NSHDSACASA-N -1 3 378.947 3.155 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(-c2cc(F)ccc2OC[C@H]2CCCCO2)s1 ZINC000649426367 566364533 /nfs/dbraw/zinc/36/45/33/566364533.db2.gz CXVBOIHSGFEIPQ-CYBMUJFWSA-N -1 3 385.482 3.410 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(-c2cc(F)ccc2OCC2CCOCC2)s1 ZINC000649426350 566364592 /nfs/dbraw/zinc/36/45/92/566364592.db2.gz CCWBRYFHOUOOAK-UHFFFAOYSA-N -1 3 385.482 3.268 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000576625439 566364763 /nfs/dbraw/zinc/36/47/63/566364763.db2.gz IQGRDRMJZLGOOE-CYBMUJFWSA-N -1 3 385.835 3.434 20 0 GGADHM Cc1nnsc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000576645549 566366123 /nfs/dbraw/zinc/36/61/23/566366123.db2.gz OJMOAGQLPLEONB-UHFFFAOYSA-N -1 3 387.914 3.157 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1F ZINC000600783624 566366198 /nfs/dbraw/zinc/36/61/98/566366198.db2.gz NAYBNOOJUCBFMO-GFCCVEGCSA-N -1 3 399.285 3.145 20 0 GGADHM CN(CC(=O)Nc1c([O-])cccc1Cl)C(=O)c1ccc(Br)o1 ZINC000557182334 566370178 /nfs/dbraw/zinc/37/01/78/566370178.db2.gz MSCKGMAJRYFYEB-UHFFFAOYSA-N -1 3 387.617 3.112 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ncccc2F)c1Cl ZINC000446929323 566370785 /nfs/dbraw/zinc/37/07/85/566370785.db2.gz PYBNRPJCFJWANZ-UHFFFAOYSA-N -1 3 379.240 3.193 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000446916987 566371130 /nfs/dbraw/zinc/37/11/30/566371130.db2.gz UFOLVOGVCXGIEO-HIFRSBDPSA-N -1 3 378.519 3.201 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000446919637 566371206 /nfs/dbraw/zinc/37/12/06/566371206.db2.gz VDYKTAONSXVMAU-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000446916989 566371679 /nfs/dbraw/zinc/37/16/79/566371679.db2.gz UFOLVOGVCXGIEO-ZFWWWQNUSA-N -1 3 378.519 3.201 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000557206913 566371837 /nfs/dbraw/zinc/37/18/37/566371837.db2.gz NDJVRSDFQYZFAC-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1=Cc2cc(Br)ccc2OC1 ZINC000536449481 566372364 /nfs/dbraw/zinc/37/23/64/566372364.db2.gz UJPVKNJBWHHFBX-UHFFFAOYSA-N -1 3 389.131 3.001 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1=Cc2cc(Br)ccc2OC1 ZINC000536449481 566372369 /nfs/dbraw/zinc/37/23/69/566372369.db2.gz UJPVKNJBWHHFBX-UHFFFAOYSA-N -1 3 389.131 3.001 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)ccn1 ZINC000446955116 566373289 /nfs/dbraw/zinc/37/32/89/566373289.db2.gz XKODSVXPUSQCKI-UHFFFAOYSA-N -1 3 395.200 3.394 20 0 GGADHM [O-]c1ccc(F)c(CNCc2cc(Br)c3c(c2)OCCO3)c1F ZINC000510288285 566374764 /nfs/dbraw/zinc/37/47/64/566374764.db2.gz OVZKWFDRGYBTBG-UHFFFAOYSA-N -1 3 386.192 3.494 20 0 GGADHM CC1(C)Cc2nc([N-]C(=O)c3ccc(S(C)(=O)=O)s3)sc2C(=O)C1 ZINC000421436983 566375177 /nfs/dbraw/zinc/37/51/77/566375177.db2.gz RKTTWEFUNWTVPQ-UHFFFAOYSA-N -1 3 384.504 3.016 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000576760261 566376331 /nfs/dbraw/zinc/37/63/31/566376331.db2.gz QTNUSIMFCMWFQC-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM O=C1C[C@H](NCc2cc([O-])ccc2Br)CN1c1ccccc1F ZINC000463032130 566378926 /nfs/dbraw/zinc/37/89/26/566378926.db2.gz FXLSLUSHNOPRTB-LBPRGKRZSA-N -1 3 379.229 3.189 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C1CC1 ZINC000510374920 566379000 /nfs/dbraw/zinc/37/90/00/566379000.db2.gz JETSGMNVEMJSFX-ZDUSSCGKSA-N -1 3 377.363 3.008 20 0 GGADHM COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)c(Br)c1[O-] ZINC000463051500 566379613 /nfs/dbraw/zinc/37/96/13/566379613.db2.gz ITWQYVJPZDDQDH-UHFFFAOYSA-N -1 3 391.265 3.012 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)cc1Cl ZINC000536503004 566380102 /nfs/dbraw/zinc/38/01/02/566380102.db2.gz UPAWDFNEQYKOPD-MRVPVSSYSA-N -1 3 393.296 3.283 20 0 GGADHM COc1ccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)nc1 ZINC000463051499 566380286 /nfs/dbraw/zinc/38/02/86/566380286.db2.gz ITRCPJOEHYDMCW-UHFFFAOYSA-N -1 3 399.208 3.355 20 0 GGADHM COc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)nc1 ZINC000463051499 566380290 /nfs/dbraw/zinc/38/02/90/566380290.db2.gz ITRCPJOEHYDMCW-UHFFFAOYSA-N -1 3 399.208 3.355 20 0 GGADHM COc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)nc1 ZINC000463051499 566380291 /nfs/dbraw/zinc/38/02/91/566380291.db2.gz ITRCPJOEHYDMCW-UHFFFAOYSA-N -1 3 399.208 3.355 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccnn2CCN(C)C)c1Cl ZINC000649632859 566380426 /nfs/dbraw/zinc/38/04/26/566380426.db2.gz HRMPYJTUWYUWDD-UHFFFAOYSA-N -1 3 391.324 3.169 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3C(F)(F)F)cnc2c1Cl ZINC000576820924 566381280 /nfs/dbraw/zinc/38/12/80/566381280.db2.gz XJWISALPFFDFNP-WDEREUQCSA-N -1 3 396.822 3.091 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1cccc(Br)c1Cl)C(=O)[O-] ZINC000600942277 566382312 /nfs/dbraw/zinc/38/23/12/566382312.db2.gz YCKYDIRSEYRXQT-NSHDSACASA-N -1 3 392.677 3.377 20 0 GGADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000536559973 566383130 /nfs/dbraw/zinc/38/31/30/566383130.db2.gz FLZLDPDDNGZARP-DZGCQCFKSA-N -1 3 386.583 3.310 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000510447997 566383379 /nfs/dbraw/zinc/38/33/79/566383379.db2.gz NUHQDCGNLPUGGE-ZDUSSCGKSA-N -1 3 377.363 3.008 20 0 GGADHM O=C1[C@@H](NCc2cc([O-])cc(F)c2)CCN1c1cccc(Br)c1 ZINC000447070688 566383400 /nfs/dbraw/zinc/38/34/00/566383400.db2.gz UJRFUQGPGJBMDM-INIZCTEOSA-N -1 3 379.229 3.189 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nncn1C ZINC000510462041 566384001 /nfs/dbraw/zinc/38/40/01/566384001.db2.gz RBECZKGLJVVDJM-GFCCVEGCSA-N -1 3 396.822 3.163 20 0 GGADHM O=C(NCCCNCc1c(F)ccc([O-])c1F)c1cccc(Br)c1 ZINC000510467571 566384587 /nfs/dbraw/zinc/38/45/87/566384587.db2.gz ODNJBEVRZVQSTR-UHFFFAOYSA-N -1 3 399.235 3.343 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000557421109 566384801 /nfs/dbraw/zinc/38/48/01/566384801.db2.gz WMJMIRZLOHJSTR-JTQLQIEISA-N -1 3 376.254 3.183 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 ZINC000510461536 566385116 /nfs/dbraw/zinc/38/51/16/566385116.db2.gz PWBYLDODEXIJCB-GFCCVEGCSA-N -1 3 378.256 3.296 20 0 GGADHM CN(C)c1n[nH]c([N-]C(=O)c2csc(-c3cc(Br)cs3)n2)n1 ZINC000557431770 566386675 /nfs/dbraw/zinc/38/66/75/566386675.db2.gz WKTSKGZUMVRSPW-UHFFFAOYSA-N -1 3 399.299 3.071 20 0 GGADHM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463164009 566387520 /nfs/dbraw/zinc/38/75/20/566387520.db2.gz SOCWBZZYWPWVPK-MWLCHTKSSA-N -1 3 385.251 3.301 20 0 GGADHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000510486409 566387573 /nfs/dbraw/zinc/38/75/73/566387573.db2.gz ZFOWFDQPPUSXKT-ZJUUUORDSA-N -1 3 382.707 3.053 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c(Cl)c1 ZINC000576901554 566387966 /nfs/dbraw/zinc/38/79/66/566387966.db2.gz XVULUZQRSJHNTQ-UHFFFAOYSA-N -1 3 384.816 3.173 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)c(Cl)c2)s1 ZINC000510486396 566387816 /nfs/dbraw/zinc/38/78/16/566387816.db2.gz ZDFBWBCOOMBMBF-LBPRGKRZSA-N -1 3 381.306 3.160 20 0 GGADHM Cn1cc(C(C)(C)C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)cn1 ZINC000463160569 566388030 /nfs/dbraw/zinc/38/80/30/566388030.db2.gz KEBJMFFTYGLODQ-UHFFFAOYSA-N -1 3 379.251 3.428 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CC(=O)N1 ZINC000463164340 566388164 /nfs/dbraw/zinc/38/81/64/566388164.db2.gz FMJAQKTTXRYGTR-PSASIEDQSA-N -1 3 382.251 3.022 20 0 GGADHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000510487464 566388404 /nfs/dbraw/zinc/38/84/04/566388404.db2.gz GRZPNCXCTAFAPV-YPMHNXCESA-N -1 3 386.926 3.414 20 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XHPINDUXOSOPQS-ZJUUUORDSA-N -1 3 382.707 3.053 20 0 GGADHM CC(C)(NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Cl)c1F ZINC000483573773 566392357 /nfs/dbraw/zinc/39/23/57/566392357.db2.gz MPAKSWQONKACHK-UHFFFAOYSA-N -1 3 379.745 3.351 20 0 GGADHM CC(C)(NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Cl)c1F ZINC000483573773 566392360 /nfs/dbraw/zinc/39/23/60/566392360.db2.gz MPAKSWQONKACHK-UHFFFAOYSA-N -1 3 379.745 3.351 20 0 GGADHM CC(C)(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Cl)c1F ZINC000483573773 566392365 /nfs/dbraw/zinc/39/23/65/566392365.db2.gz MPAKSWQONKACHK-UHFFFAOYSA-N -1 3 379.745 3.351 20 0 GGADHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000510539769 566392887 /nfs/dbraw/zinc/39/28/87/566392887.db2.gz RKAMEHDVRNAQNZ-ZJUUUORDSA-N -1 3 382.707 3.053 20 0 GGADHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000510536813 566393211 /nfs/dbraw/zinc/39/32/11/566393211.db2.gz GGMQMSRDILYXEH-ZJUUUORDSA-N -1 3 382.707 3.053 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000510539767 566393324 /nfs/dbraw/zinc/39/33/24/566393324.db2.gz RKAMEHDVRNAQNZ-UWVGGRQHSA-N -1 3 382.707 3.053 20 0 GGADHM COC(=O)[C@@H]1CCc2sc([N-]C(=O)c3ncsc3C(F)(F)F)nc2C1 ZINC000421628451 566393338 /nfs/dbraw/zinc/39/33/38/566393338.db2.gz YIOWJVVFWPCNOK-ZCFIWIBFSA-N -1 3 391.396 3.149 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000510553770 566394340 /nfs/dbraw/zinc/39/43/40/566394340.db2.gz OSMKXZGXJJILRK-UWVGGRQHSA-N -1 3 382.707 3.053 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000557533731 566394615 /nfs/dbraw/zinc/39/46/15/566394615.db2.gz IGIKEPKBAYOWJS-NSHDSACASA-N -1 3 386.249 3.047 20 0 GGADHM O=C(NCC1=CCCOC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000576973304 566394599 /nfs/dbraw/zinc/39/45/99/566394599.db2.gz MPKCZLZQBUXGKD-UHFFFAOYSA-N -1 3 397.656 3.021 20 0 GGADHM O=C(NCC1=CCCOC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000576973304 566394608 /nfs/dbraw/zinc/39/46/08/566394608.db2.gz MPKCZLZQBUXGKD-UHFFFAOYSA-N -1 3 397.656 3.021 20 0 GGADHM CC(F)(F)CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000576971361 566395202 /nfs/dbraw/zinc/39/52/02/566395202.db2.gz ZCCKOUXWUBUTMZ-UHFFFAOYSA-N -1 3 380.482 3.134 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000536704349 566395786 /nfs/dbraw/zinc/39/57/86/566395786.db2.gz AIWODSMWNLWRBX-UHFFFAOYSA-N -1 3 382.454 3.384 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC ZINC000510589183 566396497 /nfs/dbraw/zinc/39/64/97/566396497.db2.gz SQJLZVDYTBSWPX-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(C)(C)C ZINC000510585543 566396519 /nfs/dbraw/zinc/39/65/19/566396519.db2.gz WFKZLCHOOLFGCC-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccncc2F)s1 ZINC000510598133 566397577 /nfs/dbraw/zinc/39/75/77/566397577.db2.gz FNTXJFUFAMFZEF-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(C)(C)C ZINC000510603271 566397857 /nfs/dbraw/zinc/39/78/57/566397857.db2.gz XQXVVSIYPUSCJN-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000577018880 566397852 /nfs/dbraw/zinc/39/78/52/566397852.db2.gz SFFHOFKOUFGIAZ-UHIISALHSA-N -1 3 388.917 3.410 20 0 GGADHM CC(C)(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000483702918 566398471 /nfs/dbraw/zinc/39/84/71/566398471.db2.gz VQDGKIKVQCKLMT-MRXNPFEDSA-N -1 3 384.498 3.069 20 0 GGADHM CCOc1ccccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421680987 566398842 /nfs/dbraw/zinc/39/88/42/566398842.db2.gz FPMRJPZWRJUBOG-UHFFFAOYSA-N -1 3 392.175 3.281 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000463303603 566399014 /nfs/dbraw/zinc/39/90/14/566399014.db2.gz TVFHCBPJXWIVAF-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000463303603 566399020 /nfs/dbraw/zinc/39/90/20/566399020.db2.gz TVFHCBPJXWIVAF-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccncc1F ZINC000510622025 566399092 /nfs/dbraw/zinc/39/90/92/566399092.db2.gz LKRADMITPUSYQV-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc2c(c1)OCO2 ZINC000447266214 566399168 /nfs/dbraw/zinc/39/91/68/566399168.db2.gz VZAPDJQZJYPQSK-UHFFFAOYSA-N -1 3 379.287 3.096 20 0 GGADHM CC(C)c1ncsc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421680911 566399451 /nfs/dbraw/zinc/39/94/51/566399451.db2.gz VBHIONIHWVOYGN-UHFFFAOYSA-N -1 3 397.220 3.462 20 0 GGADHM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447276100 566399622 /nfs/dbraw/zinc/39/96/22/566399622.db2.gz XYWQCJDHGOAERF-UHFFFAOYSA-N -1 3 381.303 3.081 20 0 GGADHM CCOc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)cc1 ZINC000421682409 566400091 /nfs/dbraw/zinc/40/00/91/566400091.db2.gz NNULZRGQAWCLOX-UHFFFAOYSA-N -1 3 392.175 3.281 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCO1 ZINC000421681717 566400168 /nfs/dbraw/zinc/40/01/68/566400168.db2.gz IMCITKGHNSGCKX-UWVGGRQHSA-N -1 3 398.223 3.164 20 0 GGADHM CC(C)c1nc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)cs1 ZINC000421684743 566401452 /nfs/dbraw/zinc/40/14/52/566401452.db2.gz ZBNPPBHZKHEYRN-UHFFFAOYSA-N -1 3 397.220 3.462 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2F)s1 ZINC000510655331 566402548 /nfs/dbraw/zinc/40/25/48/566402548.db2.gz ACTLKBWGIVDZOC-ZETCQYMHSA-N -1 3 379.276 3.393 20 0 GGADHM Cn1cc(C=Cc2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)cn1 ZINC000671157844 566403182 /nfs/dbraw/zinc/40/31/82/566403182.db2.gz WLWAVUZXOTUAND-AATRIKPKSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1cc(C=Cc2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)cn1 ZINC000671157844 566403189 /nfs/dbraw/zinc/40/31/89/566403189.db2.gz WLWAVUZXOTUAND-AATRIKPKSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1cc(C=Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cn1 ZINC000671157844 566403198 /nfs/dbraw/zinc/40/31/98/566403198.db2.gz WLWAVUZXOTUAND-AATRIKPKSA-N -1 3 398.224 3.188 20 0 GGADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000510684193 566404458 /nfs/dbraw/zinc/40/44/58/566404458.db2.gz RTOQCAHJZUJKJF-BMGDILEWSA-N -1 3 380.897 3.365 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1nc2c(s1)CCC2 ZINC000557637942 566404637 /nfs/dbraw/zinc/40/46/37/566404637.db2.gz QHDBGOMPXFNUFU-QMMMGPOBSA-N -1 3 392.424 3.412 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C[S@](C)=O)cc2)sc1Cl ZINC000510679574 566404679 /nfs/dbraw/zinc/40/46/79/566404679.db2.gz HINVTLZNEBSSJP-NRFANRHFSA-N -1 3 377.940 3.067 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc3cccc(C)c3s2)s1 ZINC000577095754 566404901 /nfs/dbraw/zinc/40/49/01/566404901.db2.gz IMDXRNCSEJDQCM-UHFFFAOYSA-N -1 3 380.516 3.109 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)C ZINC000577127062 566407586 /nfs/dbraw/zinc/40/75/86/566407586.db2.gz MFGWDGIHOYXBJU-HNNXBMFYSA-N -1 3 377.453 3.410 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000510719282 566407817 /nfs/dbraw/zinc/40/78/17/566407817.db2.gz JJNPFJNHHVZOOX-NEPJUHHUSA-N -1 3 392.974 3.401 20 0 GGADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000510730282 566408558 /nfs/dbraw/zinc/40/85/58/566408558.db2.gz DCUAOTRJCUCBOE-YESZJQIVSA-N -1 3 380.535 3.390 20 0 GGADHM CSc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000577152521 566408934 /nfs/dbraw/zinc/40/89/34/566408934.db2.gz NPWUSPRJJRGGPP-UHFFFAOYSA-N -1 3 388.605 3.474 20 0 GGADHM CCC1CCC(N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000510730660 566409133 /nfs/dbraw/zinc/40/91/33/566409133.db2.gz GDKPDRBAJMHJGR-UHFFFAOYSA-N -1 3 378.947 3.107 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)c1cccs1 ZINC000536903095 566410602 /nfs/dbraw/zinc/41/06/02/566410602.db2.gz BOKMXVGUQBMMNW-UHFFFAOYSA-N -1 3 394.905 3.263 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC(COc2ccccc2)C1 ZINC000557718005 566410908 /nfs/dbraw/zinc/41/09/08/566410908.db2.gz MCZZFPUNFBVXMK-UHFFFAOYSA-N -1 3 391.265 3.375 20 0 GGADHM CS[C@@H](C)CCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000536910839 566411614 /nfs/dbraw/zinc/41/16/14/566411614.db2.gz ONBJWZKPVAYRPM-VIFPVBQESA-N -1 3 394.921 3.390 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccncc1Cl ZINC000421853636 566413821 /nfs/dbraw/zinc/41/38/21/566413821.db2.gz KBSNGKVRZNWPGH-SNVBAGLBSA-N -1 3 392.283 3.157 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(OC)CCCC1 ZINC000650026889 566415644 /nfs/dbraw/zinc/41/56/44/566415644.db2.gz VVGYMODHIVJPPZ-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2nc3c(cccc3Br)s2)c(=O)[n-]1 ZINC000557775372 566416871 /nfs/dbraw/zinc/41/68/71/566416871.db2.gz NNJQAIUSILARAV-UHFFFAOYSA-N -1 3 393.266 3.352 20 0 GGADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000537020687 566417646 /nfs/dbraw/zinc/41/76/46/566417646.db2.gz JSWJOWHDBMVXDW-SKDRFNHKSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000537020686 566418005 /nfs/dbraw/zinc/41/80/05/566418005.db2.gz JSWJOWHDBMVXDW-JOYOIKCWSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000537020685 566418269 /nfs/dbraw/zinc/41/82/69/566418269.db2.gz JSWJOWHDBMVXDW-CABZTGNLSA-N -1 3 382.707 3.196 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)s1 ZINC000650053009 566418803 /nfs/dbraw/zinc/41/88/03/566418803.db2.gz QKSASTJHLOZUAA-JQWIXIFHSA-N -1 3 380.482 3.049 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1nc(C)ccc1[O-])c1ccc(Br)cc1 ZINC000447636231 566419306 /nfs/dbraw/zinc/41/93/06/566419306.db2.gz JSBBFYGXJWWSNI-AWEZNQCLSA-N -1 3 392.253 3.064 20 0 GGADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1csc(CO)n1 ZINC000601707164 566420471 /nfs/dbraw/zinc/42/04/71/566420471.db2.gz WRPNGORRVSSFBR-UHFFFAOYSA-N -1 3 386.882 3.196 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCN(C)CC(F)(F)F)c1Cl ZINC000601763196 566421285 /nfs/dbraw/zinc/42/12/85/566421285.db2.gz ABEIENAOUARECC-UHFFFAOYSA-N -1 3 393.258 3.383 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557811457 566422087 /nfs/dbraw/zinc/42/20/87/566422087.db2.gz CMQMEGWZPAPJFB-SMDDNHRTSA-N -1 3 399.310 3.233 20 0 GGADHM COc1ccsc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000510957655 566422351 /nfs/dbraw/zinc/42/23/51/566422351.db2.gz ILFACIBOROJXKK-JTQLQIEISA-N -1 3 392.905 3.178 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1c(F)cccc1OC(F)(F)F ZINC000557832994 566425434 /nfs/dbraw/zinc/42/54/34/566425434.db2.gz BQZZITXYHGVVLQ-LLVKDONJSA-N -1 3 385.379 3.352 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000557832626 566425613 /nfs/dbraw/zinc/42/56/13/566425613.db2.gz AZKGROPFUDIKSQ-CABCVRRESA-N -1 3 379.507 3.106 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@H]2C)s1 ZINC000557836155 566426046 /nfs/dbraw/zinc/42/60/46/566426046.db2.gz NOLIOKSFLGVLHP-BZNIZROVSA-N -1 3 379.507 3.094 20 0 GGADHM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000626590548 566427196 /nfs/dbraw/zinc/42/71/96/566427196.db2.gz IZBFYMYSBOBVLR-ZDUSSCGKSA-N -1 3 382.176 3.338 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)[n-]c(=O)n1 ZINC000422031224 566427772 /nfs/dbraw/zinc/42/77/72/566427772.db2.gz BRTWBDRRSBEJLL-HNNXBMFYSA-N -1 3 390.281 3.491 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)[n-]c(=O)n1 ZINC000422031225 566428549 /nfs/dbraw/zinc/42/85/49/566428549.db2.gz BRTWBDRRSBEJLL-OAHLLOKOSA-N -1 3 390.281 3.491 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1c(F)cncc1F ZINC000511023803 566428641 /nfs/dbraw/zinc/42/86/41/566428641.db2.gz AJZUFAYJJOMTFU-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1c(F)cncc1F ZINC000511025783 566429504 /nfs/dbraw/zinc/42/95/04/566429504.db2.gz FNSUMKPPJDUZHH-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM COC(=O)[C@H](CNC(=O)c1scc(C)c1Cl)Cc1ccc([O-])c(F)c1 ZINC000422046858 566430049 /nfs/dbraw/zinc/43/00/49/566430049.db2.gz UEUHJROPHJDZHN-NSHDSACASA-N -1 3 385.844 3.316 20 0 GGADHM COc1cncc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000577405450 566431469 /nfs/dbraw/zinc/43/14/69/566431469.db2.gz YHOHCYUMJQHTCM-DLBZAZTESA-N -1 3 391.265 3.153 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000511041418 566431559 /nfs/dbraw/zinc/43/15/59/566431559.db2.gz WIMRCSNWWZTWIL-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2Cl)s1 ZINC000557897876 566433322 /nfs/dbraw/zinc/43/33/22/566433322.db2.gz VZYQWCQWBIXLLS-UHFFFAOYSA-N -1 3 381.306 3.253 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000577425996 566434113 /nfs/dbraw/zinc/43/41/13/566434113.db2.gz OFAWYALTUGYWST-LLVKDONJSA-N -1 3 389.857 3.293 20 0 GGADHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000537234142 566434182 /nfs/dbraw/zinc/43/41/82/566434182.db2.gz AQMLJKNBNZAROR-FWGMWULZSA-N -1 3 393.281 3.080 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000511084132 566435812 /nfs/dbraw/zinc/43/58/12/566435812.db2.gz BLZSROZYJDEQEZ-UHFFFAOYSA-N -1 3 376.862 3.184 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cs1 ZINC000671678303 566437648 /nfs/dbraw/zinc/43/76/48/566437648.db2.gz HVBMHKVLTOOFCW-UHFFFAOYSA-N -1 3 399.847 3.360 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1cc(Cl)cc(Cl)c1 ZINC000447849270 566437896 /nfs/dbraw/zinc/43/78/96/566437896.db2.gz HGADBKILVQWVQR-UHFFFAOYSA-N -1 3 383.203 3.468 20 0 GGADHM CCCN(C)[C@H](CNC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601985489 566437936 /nfs/dbraw/zinc/43/79/36/566437936.db2.gz ZKRYHTQFIPFCMY-WOSRLPQWSA-N -1 3 386.945 3.434 20 0 GGADHM O=S(=O)([N-]CCc1ccc(CO)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC000671681906 566438488 /nfs/dbraw/zinc/43/84/88/566438488.db2.gz IFRUSMVIKCGGTD-UHFFFAOYSA-N -1 3 393.814 3.372 20 0 GGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000447865009 566438712 /nfs/dbraw/zinc/43/87/12/566438712.db2.gz UYYOMBQEHJTNCN-MRVPVSSYSA-N -1 3 375.796 3.367 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc(CC(C)(C)C)cs2)cc1S(=O)(=O)N(C)C ZINC000537334844 566439296 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COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c(Cl)c1 ZINC000511359390 566458342 /nfs/dbraw/zinc/45/83/42/566458342.db2.gz HWHCPPYBEUWPTR-UHFFFAOYSA-N -1 3 385.791 3.138 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1OC ZINC000511360070 566458397 /nfs/dbraw/zinc/45/83/97/566458397.db2.gz JULNLKNONJTYCE-UHFFFAOYSA-N -1 3 387.807 3.368 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511367789 566458480 /nfs/dbraw/zinc/45/84/80/566458480.db2.gz UNAPGKIHKDQFTA-UHFFFAOYSA-N -1 3 385.791 3.138 20 0 GGADHM COC(=O)[C@H]1c2ccccc2CCN1Cc1cc([O-])ccc1Br ZINC000537646774 566458956 /nfs/dbraw/zinc/45/89/56/566458956.db2.gz JZSYQNOAPWUDEU-QGZVFWFLSA-N -1 3 376.250 3.427 20 0 GGADHM O=C(N[C@@H]1CCSC1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000464230149 566459046 /nfs/dbraw/zinc/45/90/46/566459046.db2.gz OQNDGICQZOHRNI-CYBMUJFWSA-N -1 3 396.921 3.376 20 0 GGADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000671928711 566459326 /nfs/dbraw/zinc/45/93/26/566459326.db2.gz AYQMQUMQGHPHPS-GFCCVEGCSA-N -1 3 381.881 3.259 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000537640935 566460058 /nfs/dbraw/zinc/46/00/58/566460058.db2.gz JBZPEJHTHCJMKF-LBPRGKRZSA-N -1 3 391.265 3.172 20 0 GGADHM CC(=O)Nc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1C ZINC000511372495 566460037 /nfs/dbraw/zinc/46/00/37/566460037.db2.gz RROKKCJTXKQIRV-UHFFFAOYSA-N -1 3 387.237 3.038 20 0 GGADHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(C)cc2Cl)n1 ZINC000511376134 566460104 /nfs/dbraw/zinc/46/01/04/566460104.db2.gz GAPWTXUKVYYKHQ-UHFFFAOYSA-N -1 3 376.812 3.122 20 0 GGADHM O=C(Cc1coc(-c2ccccc2)n1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511374076 566460196 /nfs/dbraw/zinc/46/01/96/566460196.db2.gz VDONDHHHNSFWKT-UHFFFAOYSA-N -1 3 397.232 3.355 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(CSC)cc1 ZINC000511395410 566461323 /nfs/dbraw/zinc/46/13/23/566461323.db2.gz DCHYWXOIUFHTDL-UHFFFAOYSA-N -1 3 385.532 3.185 20 0 GGADHM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000448165708 566461442 /nfs/dbraw/zinc/46/14/42/566461442.db2.gz VIAFPTNUTDAMMA-UHFFFAOYSA-N -1 3 381.325 3.213 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(CSC)cc1 ZINC000511409430 566462429 /nfs/dbraw/zinc/46/24/29/566462429.db2.gz CRNJZBMSHRGQEM-UHFFFAOYSA-N -1 3 399.921 3.468 20 0 GGADHM CSCc1ccc(C[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000511411859 566462491 /nfs/dbraw/zinc/46/24/91/566462491.db2.gz CPDYNGHCMGRARX-UHFFFAOYSA-N -1 3 376.297 3.384 20 0 GGADHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cccc(C)c2Cl)n1 ZINC000511397792 566462680 /nfs/dbraw/zinc/46/26/80/566462680.db2.gz JYXGWQQVCZLQCA-UHFFFAOYSA-N -1 3 376.812 3.122 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2OC)c(Cl)c1 ZINC000577776514 566462724 /nfs/dbraw/zinc/46/27/24/566462724.db2.gz YSNWKZKHIJBWIU-UHFFFAOYSA-N -1 3 384.885 3.220 20 0 GGADHM COc1cccc(OC(F)(F)F)c1C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000511427104 566463651 /nfs/dbraw/zinc/46/36/51/566463651.db2.gz RMVBTCZKQOHODD-UHFFFAOYSA-N -1 3 396.412 3.146 20 0 GGADHM CO[C@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000511418947 566464148 /nfs/dbraw/zinc/46/41/48/566464148.db2.gz VPGHAMRYOILYRT-CYBMUJFWSA-N -1 3 399.672 3.099 20 0 GGADHM CO[C@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CC1 ZINC000511418947 566464154 /nfs/dbraw/zinc/46/41/54/566464154.db2.gz VPGHAMRYOILYRT-CYBMUJFWSA-N -1 3 399.672 3.099 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(F)c(F)cc1Br ZINC000511429567 566464290 /nfs/dbraw/zinc/46/42/90/566464290.db2.gz NPWQROWSMMFMBW-UHFFFAOYSA-N -1 3 398.250 3.276 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCC[C@@H]2C[C@@H]21 ZINC000672127160 566465293 /nfs/dbraw/zinc/46/52/93/566465293.db2.gz RXXSXARKUWXKFY-HIFRSBDPSA-N -1 3 382.551 3.374 20 0 GGADHM CCC(CC)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000464320247 566465312 /nfs/dbraw/zinc/46/53/12/566465312.db2.gz MFXOLUOTLJZIEF-SFHVURJKSA-N -1 3 380.535 3.320 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000511438730 566465826 /nfs/dbraw/zinc/46/58/26/566465826.db2.gz KHZFHFHERPTFEV-YNEHKIRRSA-N -1 3 390.958 3.155 20 0 GGADHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)c1cccc(Cl)c1 ZINC000577802376 566466033 /nfs/dbraw/zinc/46/60/33/566466033.db2.gz VHXKFEJIVAYKGW-HNNXBMFYSA-N -1 3 384.860 3.025 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(SC)cc3Cl)no2)cn1 ZINC000558334471 566465999 /nfs/dbraw/zinc/46/59/99/566465999.db2.gz UMPZKYXOQDKIMV-UHFFFAOYSA-N -1 3 396.881 3.082 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000577801039 566466184 /nfs/dbraw/zinc/46/61/84/566466184.db2.gz QHYUDUDRPGRJEQ-JTQLQIEISA-N -1 3 389.857 3.293 20 0 GGADHM O=C(NC1CC(F)(F)C1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000577814462 566466636 /nfs/dbraw/zinc/46/66/36/566466636.db2.gz LJDYQGJGFOALLB-UHFFFAOYSA-N -1 3 392.493 3.277 20 0 GGADHM CCC(C)(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000672164633 566468335 /nfs/dbraw/zinc/46/83/35/566468335.db2.gz VZXGNAFMVPFJNK-UHFFFAOYSA-N -1 3 381.325 3.214 20 0 GGADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000464368154 566469782 /nfs/dbraw/zinc/46/97/82/566469782.db2.gz TYSJHEFPNBDPSN-QMMMGPOBSA-N -1 3 389.237 3.134 20 0 GGADHM Cn1nc(C2CC2)nc1CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000577848864 566469798 /nfs/dbraw/zinc/46/97/98/566469798.db2.gz KFPHXNWYLNZECB-UHFFFAOYSA-N -1 3 376.873 3.335 20 0 GGADHM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cn1 ZINC000464360541 566469876 /nfs/dbraw/zinc/46/98/76/566469876.db2.gz LIFKNKFQJHWPJG-VIFPVBQESA-N -1 3 397.806 3.154 20 0 GGADHM COCCN(Cc1cncs1)Cc1ccc(OC)c([O-])c1Br ZINC000448362613 566470838 /nfs/dbraw/zinc/47/08/38/566470838.db2.gz NZXKWIZXBNKGIZ-UHFFFAOYSA-N -1 3 387.299 3.268 20 0 GGADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000464373996 566471023 /nfs/dbraw/zinc/47/10/23/566471023.db2.gz KAOGGRCLEXTOCU-ZETCQYMHSA-N -1 3 388.205 3.003 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C2)s1 ZINC000537794720 566472140 /nfs/dbraw/zinc/47/21/40/566472140.db2.gz AOVIZDCSLAVLQQ-ZDUSSCGKSA-N -1 3 386.583 3.310 20 0 GGADHM CC1(CCS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000558433077 566473430 /nfs/dbraw/zinc/47/34/30/566473430.db2.gz VAWNFINBYJRSLC-CQSZACIVSA-N -1 3 391.320 3.208 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000485079020 566473751 /nfs/dbraw/zinc/47/37/51/566473751.db2.gz OAPVJMAGCINRBD-UHFFFAOYSA-N -1 3 380.853 3.424 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2cc(Br)cn2CC)c([O-])c1 ZINC000537824176 566476199 /nfs/dbraw/zinc/47/61/99/566476199.db2.gz ZVLFZFCUQDTUOO-UHFFFAOYSA-N -1 3 381.226 3.405 20 0 GGADHM COc1cc(Br)c(CNC[C@](C)(C(=O)[O-])c2ccccc2)cc1O ZINC000650802626 566479345 /nfs/dbraw/zinc/47/93/45/566479345.db2.gz UBRBOYYBKZGMLS-SFHVURJKSA-N -1 3 394.265 3.295 20 0 GGADHM Cc1nc(C)c(C)c(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000672325168 566480069 /nfs/dbraw/zinc/48/00/69/566480069.db2.gz YLNBPDPJGGTVRF-UHFFFAOYSA-N -1 3 389.308 3.099 20 0 GGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000537930144 566480364 /nfs/dbraw/zinc/48/03/64/566480364.db2.gz BBGFWTRAWNAZKZ-VXGBXAGGSA-N -1 3 378.947 3.107 20 0 GGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448596151 566481843 /nfs/dbraw/zinc/48/18/43/566481843.db2.gz KKFXOCIHSOKPEW-FZMZJTMJSA-N -1 3 378.416 3.292 20 0 GGADHM CCOc1cc(CN2CC[C@H](C(=O)OC)[C@@H](C)C2)cc(Br)c1[O-] ZINC000485208240 566482591 /nfs/dbraw/zinc/48/25/91/566482591.db2.gz IRWXBUCEYZOYNP-AAEUAGOBSA-N -1 3 386.286 3.184 20 0 GGADHM CCOc1cc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)cc(Br)c1[O-] ZINC000485208247 566482610 /nfs/dbraw/zinc/48/26/10/566482610.db2.gz IRWXBUCEYZOYNP-YPMHNXCESA-N -1 3 386.286 3.184 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)s1 ZINC000672381779 566484610 /nfs/dbraw/zinc/48/46/10/566484610.db2.gz ZGGRCAFVNPHUHG-AWEZNQCLSA-N -1 3 379.507 3.193 20 0 GGADHM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000672386403 566485765 /nfs/dbraw/zinc/48/57/65/566485765.db2.gz SJOIYLUTQOVTHG-OAHLLOKOSA-N -1 3 381.523 3.181 20 0 GGADHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1F ZINC000578043855 566486688 /nfs/dbraw/zinc/48/66/88/566486688.db2.gz UYXGCPKYCLUIOV-AWEZNQCLSA-N -1 3 385.379 3.056 20 0 GGADHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672393299 566487369 /nfs/dbraw/zinc/48/73/69/566487369.db2.gz ITJVEKHDMVCMFJ-JTQLQIEISA-N -1 3 378.347 3.467 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)[C@H]1CCCCO1 ZINC000672396534 566487686 /nfs/dbraw/zinc/48/76/86/566487686.db2.gz AXIYWKVPCBADDQ-SMDDNHRTSA-N -1 3 399.310 3.233 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(C)C)c2)s1 ZINC000511799357 566489565 /nfs/dbraw/zinc/48/95/65/566489565.db2.gz IBPDUYQOQUEKGU-UHFFFAOYSA-N -1 3 383.491 3.048 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)C(F)(F)F ZINC000627574339 566490184 /nfs/dbraw/zinc/49/01/84/566490184.db2.gz CFGFOFFRCUSWDC-BYPYZUCNSA-N -1 3 391.546 3.247 20 0 GGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1F ZINC000558592980 566490456 /nfs/dbraw/zinc/49/04/56/566490456.db2.gz NCJMNXSIFQCDSK-UHFFFAOYSA-N -1 3 389.807 3.389 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)C(F)(F)F ZINC000627574340 566490481 /nfs/dbraw/zinc/49/04/81/566490481.db2.gz CFGFOFFRCUSWDC-SCSAIBSYSA-N -1 3 391.546 3.247 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3ncc(C(C)(C)C)s3)nc(=O)c2c1C ZINC000485361009 566490746 /nfs/dbraw/zinc/49/07/46/566490746.db2.gz JKDRHNLBTOKWDR-UHFFFAOYSA-N -1 3 377.491 3.424 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000448735415 566491256 /nfs/dbraw/zinc/49/12/56/566491256.db2.gz JYNFHDRMPWKSJP-UHFFFAOYSA-N -1 3 384.238 3.124 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511846164 566491367 /nfs/dbraw/zinc/49/13/67/566491367.db2.gz CFHKHORUYXSTPY-UWVGGRQHSA-N -1 3 392.955 3.397 20 0 GGADHM CC(C)CCOCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602754746 566491399 /nfs/dbraw/zinc/49/13/99/566491399.db2.gz OQMLTNQKQCFVPN-UHFFFAOYSA-N -1 3 381.270 3.083 20 0 GGADHM CC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511846161 566491606 /nfs/dbraw/zinc/49/16/06/566491606.db2.gz CFHKHORUYXSTPY-NXEZZACHSA-N -1 3 392.955 3.397 20 0 GGADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000578129698 566492843 /nfs/dbraw/zinc/49/28/43/566492843.db2.gz XONRSIPXYDAFAN-WDEREUQCSA-N -1 3 383.363 3.051 20 0 GGADHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511860267 566493154 /nfs/dbraw/zinc/49/31/54/566493154.db2.gz RLLBFBRIUSHTPM-JTQLQIEISA-N -1 3 392.955 3.399 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3Cl)CCC2)s1 ZINC000651057045 566493246 /nfs/dbraw/zinc/49/32/46/566493246.db2.gz XTHLCDJUUAVOEM-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(Oc2ccccc2)C1 ZINC000602766566 566493378 /nfs/dbraw/zinc/49/33/78/566493378.db2.gz XPGFYVPPKUWJOE-UHFFFAOYSA-N -1 3 399.244 3.194 20 0 GGADHM Cn1cc(I)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000602765822 566493598 /nfs/dbraw/zinc/49/35/98/566493598.db2.gz MMKXZWBJKDLVMS-UHFFFAOYSA-N -1 3 399.232 3.280 20 0 GGADHM C[C@@H](CC(=O)[O-])NCc1cc(Br)ccc1OCc1ccccn1 ZINC000485386458 566494145 /nfs/dbraw/zinc/49/41/45/566494145.db2.gz SQUSIFJOGNNIRQ-LBPRGKRZSA-N -1 3 379.254 3.376 20 0 GGADHM Oc1[n-]c(N2CCC[C@@H]2c2ccc(Br)c(F)c2)nc2nncc1-2 ZINC000485410615 566495542 /nfs/dbraw/zinc/49/55/42/566495542.db2.gz QSOMXGMKUCDQCF-GFCCVEGCSA-N -1 3 378.205 3.302 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000485426224 566497120 /nfs/dbraw/zinc/49/71/20/566497120.db2.gz NPLJOEGSNNBXCX-UHFFFAOYSA-N -1 3 388.272 3.286 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)OC ZINC000485432747 566497492 /nfs/dbraw/zinc/49/74/92/566497492.db2.gz BCLHQRWPFXXIAI-ZDUSSCGKSA-N -1 3 398.706 3.113 20 0 GGADHM CC1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@H]1c1cccs1 ZINC000578165745 566497484 /nfs/dbraw/zinc/49/74/84/566497484.db2.gz LUPDRPFSMPBUMC-HNNXBMFYSA-N -1 3 384.548 3.088 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000448790677 566498097 /nfs/dbraw/zinc/49/80/97/566498097.db2.gz BNSIKXDEZRYMGV-KRWDZBQOSA-N -1 3 394.240 3.436 20 0 GGADHM O=S(=O)([N-]CCCOCC1CC1)c1cc(Cl)ccc1Br ZINC000485442454 566498141 /nfs/dbraw/zinc/49/81/41/566498141.db2.gz POAJODSHNPGXKK-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000511936278 566498334 /nfs/dbraw/zinc/49/83/34/566498334.db2.gz XCQBAUOCEPVCQS-JOCQHMNTSA-N -1 3 390.908 3.090 20 0 GGADHM CCCc1c(C(=O)N=c2[n-]n(C)cc2Br)cnn1C1CCCC1 ZINC000578195405 566499817 /nfs/dbraw/zinc/49/98/17/566499817.db2.gz ZUBJCRMMQUHJJP-UHFFFAOYSA-N -1 3 380.290 3.121 20 0 GGADHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000538281856 566502796 /nfs/dbraw/zinc/50/27/96/566502796.db2.gz ACIGIUNITULZDH-CABCVRRESA-N -1 3 397.294 3.077 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000448844252 566503141 /nfs/dbraw/zinc/50/31/41/566503141.db2.gz MPDDHIIIBARQDP-KRWDZBQOSA-N -1 3 394.240 3.436 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCC1 ZINC000538282175 566503120 /nfs/dbraw/zinc/50/31/20/566503120.db2.gz CIZQZETZCNFANZ-LLVKDONJSA-N -1 3 383.407 3.312 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000538282343 566503712 /nfs/dbraw/zinc/50/37/12/566503712.db2.gz CBAHQAQPCXQYNA-CQSZACIVSA-N -1 3 380.535 3.277 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(Cl)c1F ZINC000512018106 566505217 /nfs/dbraw/zinc/50/52/17/566505217.db2.gz XWUDAHRHIYHKTM-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(Cl)c1F ZINC000512018105 566505865 /nfs/dbraw/zinc/50/58/65/566505865.db2.gz XWUDAHRHIYHKTM-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM 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20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC000559106986 566526882 /nfs/dbraw/zinc/52/68/82/566526882.db2.gz RJHNFAJEGWZLKP-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465299298 566526908 /nfs/dbraw/zinc/52/69/08/566526908.db2.gz UDOAEHXPTSINFM-NEPJUHHUSA-N -1 3 393.336 3.309 20 0 GGADHM Cc1ncccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000465295936 566527583 /nfs/dbraw/zinc/52/75/83/566527583.db2.gz PAKSZDGKCCUMKV-JTQLQIEISA-N -1 3 388.276 3.002 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449084422 566527671 /nfs/dbraw/zinc/52/76/71/566527671.db2.gz XUFIIDJTXDUKAM-MAUKXSAKSA-N -1 3 385.291 3.454 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCOCC(F)(F)F ZINC000651515412 566527996 /nfs/dbraw/zinc/52/79/96/566527996.db2.gz FBKGQWARVJBXGR-UHFFFAOYSA-N -1 3 396.250 3.066 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc([C@@H](C)c3nccs3)no2)cc1 ZINC000424360690 566528332 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CN(C)CCOc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000538723249 566531721 /nfs/dbraw/zinc/53/17/21/566531721.db2.gz RQTWHWRNEYIGKM-UHFFFAOYSA-N -1 3 377.491 3.038 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2sc(Br)cc2C)cs1 ZINC000651545346 566532485 /nfs/dbraw/zinc/53/24/85/566532485.db2.gz DEZNEGFRFSWIEN-UHFFFAOYSA-N -1 3 395.369 3.359 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CC)cc1 ZINC000465476419 566532670 /nfs/dbraw/zinc/53/26/70/566532670.db2.gz XEXNESHPSMNVRE-WMLDXEAASA-N -1 3 388.555 3.085 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000485843322 566532767 /nfs/dbraw/zinc/53/27/67/566532767.db2.gz APVKYAIXIVYVBE-UHFFFAOYSA-N -1 3 383.853 3.250 20 0 GGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000485842458 566532861 /nfs/dbraw/zinc/53/28/61/566532861.db2.gz IOVYLVNTFYJKER-CQSZACIVSA-N -1 3 375.266 3.472 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1cc(Br)ccc1F ZINC000538757631 566533138 /nfs/dbraw/zinc/53/31/38/566533138.db2.gz XALWDCSXFSNFHA-UHFFFAOYSA-N -1 3 396.225 3.162 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cc1Cl ZINC000559182899 566533189 /nfs/dbraw/zinc/53/31/89/566533189.db2.gz YSDUAUUCMODRCE-OLZOCXBDSA-N -1 3 386.272 3.188 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CC)cc1 ZINC000465476416 566533225 /nfs/dbraw/zinc/53/32/25/566533225.db2.gz XEXNESHPSMNVRE-PBHICJAKSA-N -1 3 388.555 3.085 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)ccc1Cl ZINC000578559782 566533232 /nfs/dbraw/zinc/53/32/32/566533232.db2.gz XEYWSPUHYGRLFM-PBHICJAKSA-N -1 3 386.300 3.438 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2CC)cc1 ZINC000465476421 566533482 /nfs/dbraw/zinc/53/34/82/566533482.db2.gz XEXNESHPSMNVRE-YOEHRIQHSA-N -1 3 388.555 3.085 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)Cc2ccccc2Br)C(C)(C)O1 ZINC000578565097 566533442 /nfs/dbraw/zinc/53/34/42/566533442.db2.gz CYJKJEYKEDAXNZ-ZDUSSCGKSA-N -1 3 376.316 3.215 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ccc(C)nc1 ZINC000651556299 566533682 /nfs/dbraw/zinc/53/36/82/566533682.db2.gz PVWSQZNXXOLFJU-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@H](C)Sc1ccccc1 ZINC000485866506 566533629 /nfs/dbraw/zinc/53/36/29/566533629.db2.gz UXMIFYPELVHIKM-GFCCVEGCSA-N -1 3 383.491 3.088 20 0 GGADHM CCCN(CC(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000538747877 566534067 /nfs/dbraw/zinc/53/40/67/566534067.db2.gz DPHNWWVDVFUXOJ-UHFFFAOYSA-N -1 3 394.534 3.034 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)ccc1F ZINC000559250256 566534389 /nfs/dbraw/zinc/53/43/89/566534389.db2.gz MEPZQEIKPPVMNC-UHFFFAOYSA-N -1 3 377.224 3.341 20 0 GGADHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000465501356 566534666 /nfs/dbraw/zinc/53/46/66/566534666.db2.gz MWQREKREYWQKQU-UHFFFAOYSA-N -1 3 381.322 3.492 20 0 GGADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000465497658 566534796 /nfs/dbraw/zinc/53/47/96/566534796.db2.gz USXLFIPXZURSID-MFKMUULPSA-N -1 3 390.299 3.093 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)Cc1c(C)noc1C ZINC000651567243 566534951 /nfs/dbraw/zinc/53/49/51/566534951.db2.gz ZFKYLQSDISRZQQ-MRVPVSSYSA-N -1 3 393.328 3.333 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000559240441 566535085 /nfs/dbraw/zinc/53/50/85/566535085.db2.gz XOINQPBPRWOZFC-NSHDSACASA-N -1 3 377.231 3.402 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C(C)(C)c1nccs1 ZINC000651563157 566535207 /nfs/dbraw/zinc/53/52/07/566535207.db2.gz KBGPVMGPZIAZIM-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc(Br)cn3)c[nH]c21 ZINC000485878483 566535790 /nfs/dbraw/zinc/53/57/90/566535790.db2.gz VNPTXVLYFCYUSZ-UHFFFAOYSA-N -1 3 394.294 3.155 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccn(C(C)C)n1 ZINC000651566770 566535894 /nfs/dbraw/zinc/53/58/94/566535894.db2.gz LUXLZUKHGHPVFR-UHFFFAOYSA-N -1 3 378.317 3.075 20 0 GGADHM COc1ccc(-c2csc(C[N-]S(=O)(=O)Cc3cc(C)no3)c2)cc1 ZINC000485882661 566536079 /nfs/dbraw/zinc/53/60/79/566536079.db2.gz QWDQYTPEMXQGCJ-UHFFFAOYSA-N -1 3 378.475 3.340 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc3c2OCCCO3)C2CC2)n1 ZINC000651579310 566537097 /nfs/dbraw/zinc/53/70/97/566537097.db2.gz WVGFITQRTIWYLU-OAHLLOKOSA-N -1 3 380.491 3.042 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc3c2OCCCO3)C2CC2)s1 ZINC000651579206 566537315 /nfs/dbraw/zinc/53/73/15/566537315.db2.gz SIBGWWSJSCMYBQ-HNNXBMFYSA-N -1 3 380.491 3.042 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](CCO)CC(C)C ZINC000651586371 566538338 /nfs/dbraw/zinc/53/83/38/566538338.db2.gz ZECGSZVCFNGFKO-LLVKDONJSA-N -1 3 384.361 3.142 20 0 GGADHM C[C@H](NC(=O)CCc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503352 566538481 /nfs/dbraw/zinc/53/84/81/566538481.db2.gz JFVPZTXILJGXBY-QWRGUYRKSA-N -1 3 381.885 3.214 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503978 566538728 /nfs/dbraw/zinc/53/87/28/566538728.db2.gz IZZHJBGLXZCXRI-VHSXEESVSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@H](NC(=O)c1cc(Cl)ccc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503976 566538862 /nfs/dbraw/zinc/53/88/62/566538862.db2.gz IZZHJBGLXZCXRI-UWVGGRQHSA-N -1 3 382.247 3.487 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)Cc1ccncc1 ZINC000651592426 566539185 /nfs/dbraw/zinc/53/91/85/566539185.db2.gz ZNZWQCUDXHVUCU-SNVBAGLBSA-N -1 3 375.313 3.124 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)s1 ZINC000651592306 566539263 /nfs/dbraw/zinc/53/92/63/566539263.db2.gz UVRCCOXQJXWHEB-SNVBAGLBSA-N -1 3 386.518 3.423 20 0 GGADHM C[C@H](C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccc(Cl)s1 ZINC000673502671 566539677 /nfs/dbraw/zinc/53/96/77/566539677.db2.gz FJLYBLHTYJPGNQ-DCAQKATOSA-N -1 3 381.885 3.385 20 0 GGADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(c2ccc(Br)cc2)CCCC1 ZINC000673544440 566540246 /nfs/dbraw/zinc/54/02/46/566540246.db2.gz DMCSYHJKGAMQFL-UHFFFAOYSA-N -1 3 392.297 3.033 20 0 GGADHM O=C([O-])C1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000578626439 566540256 /nfs/dbraw/zinc/54/02/56/566540256.db2.gz ONFDSJJPKNTEFT-UHFFFAOYSA-N -1 3 376.254 3.203 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000673508430 566540463 /nfs/dbraw/zinc/54/04/63/566540463.db2.gz SOGGXRMKXJOREH-ZJUUUORDSA-N -1 3 382.247 3.487 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000578644786 566540441 /nfs/dbraw/zinc/54/04/41/566540441.db2.gz IAHRHDXUVKNNEJ-INIZCTEOSA-N -1 3 387.910 3.090 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000651602614 566540822 /nfs/dbraw/zinc/54/08/22/566540822.db2.gz VZQUTXKYMQCAFU-AXFHLTTASA-N -1 3 380.329 3.055 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508429 566541204 /nfs/dbraw/zinc/54/12/04/566541204.db2.gz SOGGXRMKXJOREH-VHSXEESVSA-N -1 3 382.247 3.487 20 0 GGADHM CC(C)(CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000512510377 566541355 /nfs/dbraw/zinc/54/13/55/566541355.db2.gz YBIJSVRXSUCTOX-UHFFFAOYSA-N -1 3 378.947 3.012 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)c1csnn1 ZINC000578645966 566542054 /nfs/dbraw/zinc/54/20/54/566542054.db2.gz FCFYLWHTKOHIPZ-SSDOTTSWSA-N -1 3 396.719 3.135 20 0 GGADHM Cc1nccn1CCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000578660727 566542425 /nfs/dbraw/zinc/54/24/25/566542425.db2.gz SPARSTWPUQCIPZ-QGZVFWFLSA-N -1 3 392.297 3.246 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c1 ZINC000485966233 566544068 /nfs/dbraw/zinc/54/40/68/566544068.db2.gz WSQZGNXGLSEFNA-OAHLLOKOSA-N -1 3 381.450 3.128 20 0 GGADHM CC(F)(F)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000578663312 566544131 /nfs/dbraw/zinc/54/41/31/566544131.db2.gz YMLLXACHVOFOQO-UHFFFAOYSA-N -1 3 379.588 3.329 20 0 GGADHM CC(F)(F)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000578663312 566544136 /nfs/dbraw/zinc/54/41/36/566544136.db2.gz YMLLXACHVOFOQO-UHFFFAOYSA-N -1 3 379.588 3.329 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccc(Cl)c1 ZINC000673589736 566544802 /nfs/dbraw/zinc/54/48/02/566544802.db2.gz VFLOKHWCDBNTKF-LLVKDONJSA-N -1 3 394.674 3.362 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1Br ZINC000673586626 566544900 /nfs/dbraw/zinc/54/49/00/566544900.db2.gz RSCSXFNBGYYTAQ-UHFFFAOYSA-N -1 3 384.242 3.314 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)ccc1Br ZINC000673586943 566545468 /nfs/dbraw/zinc/54/54/68/566545468.db2.gz MCGHBBPSUGONBD-UHFFFAOYSA-N -1 3 384.242 3.314 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1sc(Br)cc1C)c1ccco1 ZINC000651633999 566545639 /nfs/dbraw/zinc/54/56/39/566545639.db2.gz KKOFRAINWDZTHW-JTQLQIEISA-N -1 3 394.312 3.468 20 0 GGADHM O=C(CCC(=O)N1CCc2c(=O)[n-]cnc2C1)c1cc(Cl)sc1Cl ZINC000578695626 566545710 /nfs/dbraw/zinc/54/57/10/566545710.db2.gz JDNVNFCEOCUWDO-UHFFFAOYSA-N -1 3 386.260 3.098 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C1CC1 ZINC000651640321 566546390 /nfs/dbraw/zinc/54/63/90/566546390.db2.gz IZLWVQIWVMZMHO-WCQYABFASA-N -1 3 380.329 3.055 20 0 GGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ncc(Br)cc1Br ZINC000424613254 566546572 /nfs/dbraw/zinc/54/65/72/566546572.db2.gz BAGUAVIHRXEQPM-UFBFGSQYSA-N -1 3 394.107 3.442 20 0 GGADHM CCc1cc(C(=O)N[C@H](C(=O)OC)c2ccc(Br)cc2)ccc1[O-] ZINC000486002264 566546954 /nfs/dbraw/zinc/54/69/54/566546954.db2.gz JTQUAIKIYIFZMY-INIZCTEOSA-N -1 3 392.249 3.361 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000651646633 566546934 /nfs/dbraw/zinc/54/69/34/566546934.db2.gz LGCWMRHPSIGEGG-OCCSQVGLSA-N -1 3 394.356 3.303 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)s1 ZINC000603956595 566546879 /nfs/dbraw/zinc/54/68/79/566546879.db2.gz VFQUVUGMDLLRKM-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccs2)s1 ZINC000603946734 566546912 /nfs/dbraw/zinc/54/69/12/566546912.db2.gz DBGLRYNTXDRKFT-LLVKDONJSA-N -1 3 386.564 3.263 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)s1 ZINC000603957475 566547058 /nfs/dbraw/zinc/54/70/58/566547058.db2.gz MAXRNJARJVCJGI-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000578709961 566547489 /nfs/dbraw/zinc/54/74/89/566547489.db2.gz MHHBKDMHOWDBIJ-CQSZACIVSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1ccc(-n2c(NC(=O)c3nnc[n-]3)nc3cc(Br)ccc32)cc1 ZINC000512681054 566548348 /nfs/dbraw/zinc/54/83/48/566548348.db2.gz KADBQFOKJUNBAS-UHFFFAOYSA-N -1 3 397.236 3.467 20 0 GGADHM Cc1ccc(-n2c(NC(=O)c3nc[n-]n3)nc3cc(Br)ccc32)cc1 ZINC000512681054 566548355 /nfs/dbraw/zinc/54/83/55/566548355.db2.gz KADBQFOKJUNBAS-UHFFFAOYSA-N -1 3 397.236 3.467 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)c(F)c1 ZINC000651660544 566548356 /nfs/dbraw/zinc/54/83/56/566548356.db2.gz UUOTVXXINGNRNH-TVQRCGJNSA-N -1 3 389.798 3.241 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(F)c1 ZINC000651660542 566548471 /nfs/dbraw/zinc/54/84/71/566548471.db2.gz UUOTVXXINGNRNH-NOZJJQNGSA-N -1 3 389.798 3.241 20 0 GGADHM CCC[C@@H](C)S(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000651646983 566548814 /nfs/dbraw/zinc/54/88/14/566548814.db2.gz YTUMPIYHPLZISH-ZWNOBZJWSA-N -1 3 376.404 3.021 20 0 GGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ccc(F)cc1I ZINC000424624951 566548906 /nfs/dbraw/zinc/54/89/06/566548906.db2.gz RTKJIMKGNWFAAQ-ZANVPECISA-N -1 3 379.213 3.265 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)s1 ZINC000604019341 566549893 /nfs/dbraw/zinc/54/98/93/566549893.db2.gz XWKPQZUXQFAEHT-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2Cl)s1 ZINC000604017613 566550637 /nfs/dbraw/zinc/55/06/37/566550637.db2.gz AHVNFDPRIBXHFX-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1nnc[n-]1 ZINC000512688575 566550762 /nfs/dbraw/zinc/55/07/62/566550762.db2.gz JKAZKSOFYVNTNV-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1nc[n-]n1 ZINC000512688575 566550766 /nfs/dbraw/zinc/55/07/66/566550766.db2.gz JKAZKSOFYVNTNV-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Br)c3c(c2)OCCO3)n1 ZINC000628374663 566551392 /nfs/dbraw/zinc/55/13/92/566551392.db2.gz VVQDRLIMAYUJJG-UHFFFAOYSA-N -1 3 394.269 3.049 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cnc3c(C)cc(Br)cn23)n1 ZINC000628375086 566551523 /nfs/dbraw/zinc/55/15/23/566551523.db2.gz YTTNEQLGSARUHZ-UHFFFAOYSA-N -1 3 390.285 3.234 20 0 GGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000673700644 566552105 /nfs/dbraw/zinc/55/21/05/566552105.db2.gz XKWHZRIJBVIBBL-UHFFFAOYSA-N -1 3 387.389 3.186 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2sc(Br)cc2C)CCC1 ZINC000651717796 566554778 /nfs/dbraw/zinc/55/47/78/566554778.db2.gz SUAXVQQZCYRIFN-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000651708397 566554791 /nfs/dbraw/zinc/55/47/91/566554791.db2.gz PQUGWLQAWWDHPE-SNVBAGLBSA-N -1 3 388.308 3.274 20 0 GGADHM COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Br ZINC000486077202 566555064 /nfs/dbraw/zinc/55/50/64/566555064.db2.gz QOMQJNVOQSIJQD-UHFFFAOYSA-N -1 3 399.266 3.082 20 0 GGADHM COC(=O)[C@@](C)([N-]S(=O)(=O)CCCCF)c1ccc(Cl)c(Cl)c1 ZINC000578801737 566555058 /nfs/dbraw/zinc/55/50/58/566555058.db2.gz TUGJEBLJVWLXBB-AWEZNQCLSA-N -1 3 386.272 3.051 20 0 GGADHM CC(C)[C@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000539033883 566555070 /nfs/dbraw/zinc/55/50/70/566555070.db2.gz AONPGRTYUMTPPS-YVEFUNNKSA-N -1 3 393.281 3.224 20 0 GGADHM COC(=O)CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CCCCC1 ZINC000486083102 566556322 /nfs/dbraw/zinc/55/63/22/566556322.db2.gz CKWALQWAFBOQEE-UHFFFAOYSA-N -1 3 389.901 3.141 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000651726624 566556553 /nfs/dbraw/zinc/55/65/53/566556553.db2.gz TVPKWBXJCZTLRU-NSHDSACASA-N -1 3 394.356 3.447 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000486083401 566556562 /nfs/dbraw/zinc/55/65/62/566556562.db2.gz XQPHGSJQYIAKBF-UHFFFAOYSA-N -1 3 386.926 3.205 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000651726623 566556660 /nfs/dbraw/zinc/55/66/60/566556660.db2.gz TVPKWBXJCZTLRU-LLVKDONJSA-N -1 3 394.356 3.447 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)c1cccnc1 ZINC000651742782 566558104 /nfs/dbraw/zinc/55/81/04/566558104.db2.gz ZFMZGLAUBUWUQV-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2)c[nH]1 ZINC000673822847 566558314 /nfs/dbraw/zinc/55/83/14/566558314.db2.gz PRUDXUOPDVJEAV-CYBMUJFWSA-N -1 3 382.917 3.134 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)c1 ZINC000673822520 566558634 /nfs/dbraw/zinc/55/86/34/566558634.db2.gz NRTCMEPGESKAIE-UHFFFAOYSA-N -1 3 389.271 3.048 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cs1 ZINC000673824058 566558662 /nfs/dbraw/zinc/55/86/62/566558662.db2.gz RUEPGTQLDHSTCI-UHFFFAOYSA-N -1 3 399.847 3.360 20 0 GGADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)nc12 ZINC000673823425 566558897 /nfs/dbraw/zinc/55/88/97/566558897.db2.gz KXQAFQWAKHRBQG-UHFFFAOYSA-N -1 3 384.288 3.471 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)c[nH]1 ZINC000673820828 566559120 /nfs/dbraw/zinc/55/91/20/566559120.db2.gz KNNDDEQERQLKKE-CHWSQXEVSA-N -1 3 384.299 3.130 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)c[nH]1 ZINC000673824414 566559188 /nfs/dbraw/zinc/55/91/88/566559188.db2.gz GEFQDBFAVKNQFQ-UHFFFAOYSA-N -1 3 379.816 3.266 20 0 GGADHM COCc1ncsc1C(=O)[N-]c1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000559573853 566559339 /nfs/dbraw/zinc/55/93/39/566559339.db2.gz PRKJAYSZACXINC-UHFFFAOYSA-N -1 3 385.373 3.473 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2csc(N(C)C)n2)c(Cl)c1Cl ZINC000673823606 566559368 /nfs/dbraw/zinc/55/93/68/566559368.db2.gz JAEPZPBZNJMXRJ-UHFFFAOYSA-N -1 3 396.321 3.003 20 0 GGADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C(C)(C)CO1 ZINC000604334835 566560852 /nfs/dbraw/zinc/56/08/52/566560852.db2.gz BPDPVRMIAZEDKK-UHFFFAOYSA-N -1 3 393.281 3.320 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000628498387 566561785 /nfs/dbraw/zinc/56/17/85/566561785.db2.gz MITCKKAZZIKURG-OKILXGFUSA-N -1 3 376.865 3.233 20 0 GGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3Br)cc2o1 ZINC000466293594 566562890 /nfs/dbraw/zinc/56/28/90/566562890.db2.gz OUYTZNZXZXGRNI-UHFFFAOYSA-N -1 3 387.186 3.236 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c(Cl)c1Cl ZINC000559634776 566563397 /nfs/dbraw/zinc/56/33/97/566563397.db2.gz UOYHFNHMWVYMCG-CYBMUJFWSA-N -1 3 398.308 3.214 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1c(F)cccc1F ZINC000604407553 566564012 /nfs/dbraw/zinc/56/40/12/566564012.db2.gz NADZZJCWOVMTOL-AWEZNQCLSA-N -1 3 392.830 3.339 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C)s1 ZINC000651806424 566564286 /nfs/dbraw/zinc/56/42/86/566564286.db2.gz GUKUQTKDRVYKKQ-VBNZEHGJSA-N -1 3 378.519 3.088 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cccs1 ZINC000604408302 566564583 /nfs/dbraw/zinc/56/45/83/566564583.db2.gz JAJZNFDRGHNFDR-GFCCVEGCSA-N -1 3 376.425 3.324 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000578933808 566565282 /nfs/dbraw/zinc/56/52/82/566565282.db2.gz OVABQGNMFKSMKG-MRXNPFEDSA-N -1 3 386.901 3.308 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)cc2)s1 ZINC000604435220 566566465 /nfs/dbraw/zinc/56/64/65/566566465.db2.gz XJABLDDKJUASHR-UHFFFAOYSA-N -1 3 383.491 3.191 20 0 GGADHM COc1ccc(Br)c([C@@H](CO)N(C)Cc2cc([O-])cc(F)c2)c1 ZINC000449472725 566568027 /nfs/dbraw/zinc/56/80/27/566568027.db2.gz QEUGEDHDYYPUHP-QGZVFWFLSA-N -1 3 384.245 3.468 20 0 GGADHM COc1ccc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000512908822 566568042 /nfs/dbraw/zinc/56/80/42/566568042.db2.gz MAVOLZDOJZJXSR-UHFFFAOYSA-N -1 3 389.304 3.070 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000559782687 566569665 /nfs/dbraw/zinc/56/96/65/566569665.db2.gz YEHVCQOXKZNHRR-SNVBAGLBSA-N -1 3 379.247 3.230 20 0 GGADHM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000539239074 566570334 /nfs/dbraw/zinc/57/03/34/566570334.db2.gz OURBXYZOULCZOQ-UHFFFAOYSA-N -1 3 394.301 3.339 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)CCOCC(F)(F)F)c1Br ZINC000578976000 566570677 /nfs/dbraw/zinc/57/06/77/566570677.db2.gz NPWMOVSQHFHBQJ-UHFFFAOYSA-N -1 3 394.184 3.217 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000559840804 566571519 /nfs/dbraw/zinc/57/15/19/566571519.db2.gz NTWUVZAEZGJFQP-JOCHJYFZSA-N -1 3 379.837 3.298 20 0 GGADHM COc1cccc(OCCC[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000486243174 566571628 /nfs/dbraw/zinc/57/16/28/566571628.db2.gz JMVOXBFZXGINMW-UHFFFAOYSA-N -1 3 385.869 3.105 20 0 GGADHM O=C([N-]c1cc(F)ccc1O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000674015062 566571848 /nfs/dbraw/zinc/57/18/48/566571848.db2.gz JGYRYABBZBBMDM-UHFFFAOYSA-N -1 3 384.454 3.020 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)COCc1ccccc1 ZINC000486241065 566571827 /nfs/dbraw/zinc/57/18/27/566571827.db2.gz CXPUFFIFWIYWHL-CQSZACIVSA-N -1 3 383.897 3.480 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc2cccnc21 ZINC000486256619 566573003 /nfs/dbraw/zinc/57/30/03/566573003.db2.gz SABVBWVANGXAKE-UHFFFAOYSA-N -1 3 376.865 3.418 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000486253381 566573081 /nfs/dbraw/zinc/57/30/81/566573081.db2.gz QOQCUHUQISUSTR-AWEZNQCLSA-N -1 3 385.873 3.285 20 0 GGADHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000651886701 566573146 /nfs/dbraw/zinc/57/31/46/566573146.db2.gz BZOJTPXWSQCEMI-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM COc1cc(CNc2cnn([C@@H]3CCOC3)c2C)cc(Br)c1[O-] ZINC000449538381 566573346 /nfs/dbraw/zinc/57/33/46/566573346.db2.gz UDYRFSQVMLDXAP-GFCCVEGCSA-N -1 3 382.258 3.242 20 0 GGADHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000651889474 566573472 /nfs/dbraw/zinc/57/34/72/566573472.db2.gz UUNUNMJBMAWOIE-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(CNc2cnn([C@@H]3CCOC3)c2C)c(Br)c1[O-] ZINC000449538697 566573532 /nfs/dbraw/zinc/57/35/32/566573532.db2.gz UIMGZMBCGDTEMC-GFCCVEGCSA-N -1 3 382.258 3.242 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)cc1Cl ZINC000579033391 566573626 /nfs/dbraw/zinc/57/36/26/566573626.db2.gz JXGGMUQSMOZXJL-JTQLQIEISA-N -1 3 388.272 3.457 20 0 GGADHM C[C@@]1(c2ccc(CNCc3cc(Cl)ccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000513033312 566574733 /nfs/dbraw/zinc/57/47/33/566574733.db2.gz YFTHHTVWXOAYLH-SFHVURJKSA-N -1 3 378.259 3.338 20 0 GGADHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1CCCC1 ZINC000674078608 566575197 /nfs/dbraw/zinc/57/51/97/566575197.db2.gz QZUAZIQVIAAGNM-NSHDSACASA-N -1 3 378.416 3.292 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)n1 ZINC000604770813 566576018 /nfs/dbraw/zinc/57/60/18/566576018.db2.gz KCHXDCHTDZZFFH-UHFFFAOYSA-N -1 3 377.491 3.461 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCCn3ccnc3)s2)cs1 ZINC000539381088 566577451 /nfs/dbraw/zinc/57/74/51/566577451.db2.gz HHAIDGZQSOUUTL-UHFFFAOYSA-N -1 3 382.536 3.135 20 0 GGADHM CSc1cccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c1C ZINC000539369458 566577562 /nfs/dbraw/zinc/57/75/62/566577562.db2.gz ABPKDJFDMRGPNV-UHFFFAOYSA-N -1 3 382.482 3.163 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCc3ccc(S(C)(=O)=O)cc3)nc2n1 ZINC000559950879 566578037 /nfs/dbraw/zinc/57/80/37/566578037.db2.gz YPGMIYBXIOVQNG-UHFFFAOYSA-N -1 3 375.475 3.043 20 0 GGADHM CCOc1cc(CNCc2ccc3c(c2)CCS3(=O)=O)cc(Cl)c1[O-] ZINC000579083633 566578197 /nfs/dbraw/zinc/57/81/97/566578197.db2.gz YDMKJKQEOSLMFI-UHFFFAOYSA-N -1 3 381.881 3.064 20 0 GGADHM CCC(C)(C)OCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000579081126 566578396 /nfs/dbraw/zinc/57/83/96/566578396.db2.gz GFVGPYWVBMMAQL-UHFFFAOYSA-N -1 3 381.270 3.226 20 0 GGADHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000539384478 566578379 /nfs/dbraw/zinc/57/83/79/566578379.db2.gz IVYLYAFKKAXCDT-HZPDHXFCSA-N -1 3 397.294 3.077 20 0 GGADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000674169492 566578787 /nfs/dbraw/zinc/57/87/87/566578787.db2.gz KKIGKDCBWYVEGM-HNNXBMFYSA-N -1 3 375.222 3.071 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000513110715 566578951 /nfs/dbraw/zinc/57/89/51/566578951.db2.gz SHZXYVHLUDUPPU-JTQLQIEISA-N -1 3 387.910 3.406 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000579093802 566580583 /nfs/dbraw/zinc/58/05/83/566580583.db2.gz GXOMRWDEQFZJRJ-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000513131195 566581232 /nfs/dbraw/zinc/58/12/32/566581232.db2.gz DEIGJWMJFSTVPT-ZDUSSCGKSA-N -1 3 381.881 3.426 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCc1ccccc1 ZINC000513131194 566581342 /nfs/dbraw/zinc/58/13/42/566581342.db2.gz DEIGJWMJFSTVPT-CYBMUJFWSA-N -1 3 381.881 3.426 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000539440193 566581368 /nfs/dbraw/zinc/58/13/68/566581368.db2.gz YOQKULPUYMRJKL-AWEZNQCLSA-N -1 3 396.228 3.003 20 0 GGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@H]1COc2ccc(F)cc21 ZINC000466523193 566581642 /nfs/dbraw/zinc/58/16/42/566581642.db2.gz UUHDMHYRCQJLPX-AWEZNQCLSA-N -1 3 375.343 3.398 20 0 GGADHM CCOc1cc(CNC2(C(=O)[O-])CC2)cc(Br)c1OC(F)F ZINC000559980313 566581788 /nfs/dbraw/zinc/58/17/88/566581788.db2.gz JCXZBBYXQIOWDL-UHFFFAOYSA-N -1 3 380.185 3.156 20 0 GGADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)CCO2 ZINC000466525390 566582559 /nfs/dbraw/zinc/58/25/59/566582559.db2.gz HSOPNHGLORSXHF-HNNXBMFYSA-N -1 3 383.853 3.159 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000513137284 566582654 /nfs/dbraw/zinc/58/26/54/566582654.db2.gz JCHLRNUNPFIKOE-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(F)cc1C(F)(F)F ZINC000466539417 566582925 /nfs/dbraw/zinc/58/29/25/566582925.db2.gz BCEICQYZDBGEQD-LBPRGKRZSA-N -1 3 379.306 3.396 20 0 GGADHM Cc1ccc(NC(=O)COc2cccc(I)c2)c([O-])c1 ZINC000486383078 566583063 /nfs/dbraw/zinc/58/30/63/566583063.db2.gz RUFMMADOTQIHEV-UHFFFAOYSA-N -1 3 383.185 3.323 20 0 GGADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2cccc(Cl)c2)no1 ZINC000579165646 566584504 /nfs/dbraw/zinc/58/45/04/566584504.db2.gz HQEKHMQTFXEFLY-UHFFFAOYSA-N -1 3 377.853 3.318 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000513161171 566585569 /nfs/dbraw/zinc/58/55/69/566585569.db2.gz QCBPHPILIJKAJF-ZDUSSCGKSA-N -1 3 383.878 3.252 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCO[C@@H]1C1CC1 ZINC000466572916 566585931 /nfs/dbraw/zinc/58/59/31/566585931.db2.gz JNFXHRKLVFLKEH-HUUCEWRRSA-N -1 3 392.290 3.072 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]Cc2ccoc2C)cc1Cl ZINC000674339392 566586319 /nfs/dbraw/zinc/58/63/19/566586319.db2.gz AOOSFIKWRJJMMX-UHFFFAOYSA-N -1 3 394.674 3.491 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)sc1Br ZINC000674343806 566586700 /nfs/dbraw/zinc/58/67/00/566586700.db2.gz SMGDWOUSOQKFKT-UHFFFAOYSA-N -1 3 379.301 3.409 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)c2cc(C)sc2C)ccc1F ZINC000486419043 566587030 /nfs/dbraw/zinc/58/70/30/566587030.db2.gz MLGIRYPBZZRPAJ-JTQLQIEISA-N -1 3 385.486 3.295 20 0 GGADHM CN1CCN(C(=O)NCc2ccc([O-])c(Br)c2)Cc2ccccc21 ZINC000486422801 566587480 /nfs/dbraw/zinc/58/74/80/566587480.db2.gz HOCWOJWKNOCOKZ-UHFFFAOYSA-N -1 3 390.281 3.316 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO[C@H]1C1CC1 ZINC000466587314 566587663 /nfs/dbraw/zinc/58/76/63/566587663.db2.gz SAUXNIYDZLKGOX-GJZGRUSLSA-N -1 3 392.290 3.072 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000513181253 566587620 /nfs/dbraw/zinc/58/76/20/566587620.db2.gz OHSITMFLXHHPHB-LLVKDONJSA-N -1 3 387.910 3.345 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C1 ZINC000513176213 566587636 /nfs/dbraw/zinc/58/76/36/566587636.db2.gz OSRQZFVASNDWJZ-QWHCGFSZSA-N -1 3 391.942 3.469 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513173009 566587738 /nfs/dbraw/zinc/58/77/38/566587738.db2.gz WTKIJAANRAZOOZ-QWHCGFSZSA-N -1 3 377.915 3.079 20 0 GGADHM [O-]c1ccc(F)c(CN(CCO)Cc2ccc(Br)s2)c1F ZINC000513209327 566588170 /nfs/dbraw/zinc/58/81/70/566588170.db2.gz IDUOZLFNHACIGB-UHFFFAOYSA-N -1 3 378.238 3.489 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c(C)o1 ZINC000674349704 566589229 /nfs/dbraw/zinc/58/92/29/566589229.db2.gz YRPKBWVWXZOHGW-UHFFFAOYSA-N -1 3 391.276 3.075 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1cc(Cl)ccc1F ZINC000560042146 566590694 /nfs/dbraw/zinc/59/06/94/566590694.db2.gz RCZCJQSRBCHRJB-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)ccc1F ZINC000486476791 566591388 /nfs/dbraw/zinc/59/13/88/566591388.db2.gz MDVFLMUUTPGCNY-QMMMGPOBSA-N -1 3 391.877 3.331 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1OC ZINC000560062375 566593411 /nfs/dbraw/zinc/59/34/11/566593411.db2.gz DMDVXOXDKZIOJW-AWEZNQCLSA-N -1 3 387.885 3.136 20 0 GGADHM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000466718546 566593703 /nfs/dbraw/zinc/59/37/03/566593703.db2.gz OGLZTZWATRDBAP-CQSZACIVSA-N -1 3 388.316 3.325 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C2CCC(OC(F)F)CC2)c1 ZINC000513329271 566595425 /nfs/dbraw/zinc/59/54/25/566595425.db2.gz LJZMYRNGUDBRFK-UHFFFAOYSA-N -1 3 376.425 3.103 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)c1 ZINC000486525582 566596343 /nfs/dbraw/zinc/59/63/43/566596343.db2.gz FZJBAUGODLYENG-UHFFFAOYSA-N -1 3 384.841 3.116 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn(C)c1=O ZINC000486526414 566596634 /nfs/dbraw/zinc/59/66/34/566596634.db2.gz AIALHJAESJSLQK-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)cc3cccnc32)cs1 ZINC000674492309 566596678 /nfs/dbraw/zinc/59/66/78/566596678.db2.gz WEDAKYVZAPWIIE-GFCCVEGCSA-N -1 3 377.491 3.186 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO[C@@H]1C1CC1 ZINC000466777132 566597882 /nfs/dbraw/zinc/59/78/82/566597882.db2.gz MXEQYUCNXAUAER-HUUCEWRRSA-N -1 3 381.391 3.328 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)s1 ZINC000605164272 566598383 /nfs/dbraw/zinc/59/83/83/566598383.db2.gz UKICAXKNNHSMNC-GXFFZTMASA-N -1 3 382.532 3.071 20 0 GGADHM Cc1c(NCc2cc([O-])ccc2Br)cccc1S(=O)(=O)N(C)C ZINC000449757485 566598689 /nfs/dbraw/zinc/59/86/89/566598689.db2.gz SAGWFPYXXSMMFE-UHFFFAOYSA-N -1 3 399.310 3.326 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000425034807 566599811 /nfs/dbraw/zinc/59/98/11/566599811.db2.gz DYHPOOBEGOHKNW-GHMZBOCLSA-N -1 3 378.416 3.338 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)sc1Br ZINC000539764404 566599935 /nfs/dbraw/zinc/59/99/35/566599935.db2.gz NAPOFLGPFHROJY-SECBINFHSA-N -1 3 382.345 3.443 20 0 GGADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000486575490 566600514 /nfs/dbraw/zinc/60/05/14/566600514.db2.gz NPMPKQSBQPLMGH-GFCCVEGCSA-N -1 3 385.869 3.103 20 0 GGADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000486575491 566600917 /nfs/dbraw/zinc/60/09/17/566600917.db2.gz NPMPKQSBQPLMGH-LBPRGKRZSA-N -1 3 385.869 3.103 20 0 GGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Br)cc1Br ZINC000605291127 566601365 /nfs/dbraw/zinc/60/13/65/566601365.db2.gz LJVITAKJGRLPJL-SECBINFHSA-N -1 3 399.104 3.132 20 0 GGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Br)cc1Br ZINC000605291128 566602217 /nfs/dbraw/zinc/60/22/17/566602217.db2.gz LJVITAKJGRLPJL-VIFPVBQESA-N -1 3 399.104 3.132 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)s1 ZINC000486592298 566602381 /nfs/dbraw/zinc/60/23/81/566602381.db2.gz HKMTZBAZJHEUTQ-CYBMUJFWSA-N -1 3 375.519 3.385 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000674666945 566602617 /nfs/dbraw/zinc/60/26/17/566602617.db2.gz SZBRGJMBKHRCIL-JTQLQIEISA-N -1 3 398.278 3.300 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000579368726 566602895 /nfs/dbraw/zinc/60/28/95/566602895.db2.gz PTEPGKPULMXWDB-KSSFIOAISA-N -1 3 381.881 3.405 20 0 GGADHM CSc1nnc(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)[n-]1 ZINC000486606768 566603906 /nfs/dbraw/zinc/60/39/06/566603906.db2.gz PISZDEWLLIYNOY-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)n1 ZINC000486606768 566603911 /nfs/dbraw/zinc/60/39/11/566603911.db2.gz PISZDEWLLIYNOY-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM CSc1nc(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)n[n-]1 ZINC000486606768 566603912 /nfs/dbraw/zinc/60/39/12/566603912.db2.gz PISZDEWLLIYNOY-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1(C)C ZINC000466882974 566604218 /nfs/dbraw/zinc/60/42/18/566604218.db2.gz OHJYAAUBXNEBSY-OCCSQVGLSA-N -1 3 380.279 3.070 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000579375860 566604315 /nfs/dbraw/zinc/60/43/15/566604315.db2.gz WHERJHRLEDIUFT-UHFFFAOYSA-N -1 3 378.263 3.064 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579387720 566604330 /nfs/dbraw/zinc/60/43/30/566604330.db2.gz HUKAKXOGLGHMIH-UHFFFAOYSA-N -1 3 380.217 3.233 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c(F)c1 ZINC000579382748 566604467 /nfs/dbraw/zinc/60/44/67/566604467.db2.gz PWLOZXBJYCVLHS-JOCHJYFZSA-N -1 3 375.874 3.467 20 0 GGADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1(C)C ZINC000466885704 566604907 /nfs/dbraw/zinc/60/49/07/566604907.db2.gz ASLONVMSXJBRIE-MFKMUULPSA-N -1 3 382.345 3.301 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)CC3 ZINC000486628892 566604918 /nfs/dbraw/zinc/60/49/18/566604918.db2.gz MKAYWFSOJOLYGM-CYBMUJFWSA-N -1 3 375.881 3.361 20 0 GGADHM COc1ccc(CN[C@@H](CO)Cc2cccc(C)c2)c(Br)c1[O-] ZINC000466887091 566604936 /nfs/dbraw/zinc/60/49/36/566604936.db2.gz ISIAAOACRZLMOY-OAHLLOKOSA-N -1 3 380.282 3.165 20 0 GGADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1(C)C ZINC000466889588 566605934 /nfs/dbraw/zinc/60/59/34/566605934.db2.gz ZZSSAMUXTOCDCI-OCCSQVGLSA-N -1 3 380.279 3.070 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@](C)(OC)C2(C)C)c(Cl)c1Cl ZINC000466896629 566605957 /nfs/dbraw/zinc/60/59/57/566605957.db2.gz DAKYPJZZVYRPEG-XHDPSFHLSA-N -1 3 382.309 3.484 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CC2CC(F)(F)C2)c(F)cc1F ZINC000449827186 566606062 /nfs/dbraw/zinc/60/60/62/566606062.db2.gz MIZXNOUFGYBOBA-UHFFFAOYSA-N -1 3 382.379 3.490 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@](C)(OC)C2(C)C)c(Cl)c1Cl ZINC000466896624 566606115 /nfs/dbraw/zinc/60/61/15/566606115.db2.gz DAKYPJZZVYRPEG-ABAIWWIYSA-N -1 3 382.309 3.484 20 0 GGADHM O=C(Cc1ncccc1F)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000579422766 566607601 /nfs/dbraw/zinc/60/76/01/566607601.db2.gz NVUFRDJOBAIWSY-UHFFFAOYSA-N -1 3 393.191 3.116 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1ccc(F)cc1Br ZINC000539857660 566608251 /nfs/dbraw/zinc/60/82/51/566608251.db2.gz ZIJZWKVXCBNUSC-UHFFFAOYSA-N -1 3 396.225 3.162 20 0 GGADHM CCc1cccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1[O-] ZINC000539849184 566608743 /nfs/dbraw/zinc/60/87/43/566608743.db2.gz AKDVXDLXJGAUMJ-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H]2CC)cc1 ZINC000466922956 566609660 /nfs/dbraw/zinc/60/96/60/566609660.db2.gz GSUVWFHTRJWSJI-ZBFHGGJFSA-N -1 3 388.555 3.038 20 0 GGADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000605496427 566609952 /nfs/dbraw/zinc/60/99/52/566609952.db2.gz PFOMKWSIAVIYFK-UHFFFAOYSA-N -1 3 385.482 3.155 20 0 GGADHM Cc1cncc([C@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000579455886 566610858 /nfs/dbraw/zinc/61/08/58/566610858.db2.gz LXYPDUYPBQMUPM-LBPRGKRZSA-N -1 3 388.320 3.326 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)Nc1cc(Br)ccc1[O-])C(N)=O ZINC000513599032 566611578 /nfs/dbraw/zinc/61/15/78/566611578.db2.gz FAENYGZBNKZLGR-VIFPVBQESA-N -1 3 395.278 3.373 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1cccc(Br)c1 ZINC000652459809 566611848 /nfs/dbraw/zinc/61/18/48/566611848.db2.gz OEJFUMMIHPXMGN-INIZCTEOSA-N -1 3 394.265 3.019 20 0 GGADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(F)cccc1Cl ZINC000425190420 566614438 /nfs/dbraw/zinc/61/44/38/566614438.db2.gz DNWLHSWNRNHXCE-JTQLQIEISA-N -1 3 383.819 3.407 20 0 GGADHM C[C@H](c1cnccn1)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000652506350 566614768 /nfs/dbraw/zinc/61/47/68/566614768.db2.gz FFTQYLJTYLAQDY-BYCMXARLSA-N -1 3 376.254 3.100 20 0 GGADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(F)cc1Br ZINC000486711000 566615038 /nfs/dbraw/zinc/61/50/38/566615038.db2.gz OUIAPDPVFBZVKK-VBQJREDUSA-N -1 3 396.281 3.452 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2ccsc2Br)s1 ZINC000449914398 566615353 /nfs/dbraw/zinc/61/53/53/566615353.db2.gz LYMFTLAVSFOSCR-UHFFFAOYSA-N -1 3 390.284 3.110 20 0 GGADHM COc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Br)c1OC ZINC000652514862 566616279 /nfs/dbraw/zinc/61/62/79/566616279.db2.gz FIOIGFPXPJOLBM-QWHCGFSZSA-N -1 3 384.270 3.009 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C2(C(N)=O)CCCCC2)c1Cl ZINC000674885701 566616454 /nfs/dbraw/zinc/61/64/54/566616454.db2.gz CICJOCPBIALVLV-UHFFFAOYSA-N -1 3 379.309 3.077 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)sc2C)c1C ZINC000674887026 566616488 /nfs/dbraw/zinc/61/64/88/566616488.db2.gz RCHIPMRIQQMVQH-UHFFFAOYSA-N -1 3 392.344 3.131 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCOC2)C1)c1c(Cl)ccc2ccccc21 ZINC000539950866 566616830 /nfs/dbraw/zinc/61/68/30/566616830.db2.gz QHUCZCHUGVEYAD-RDTXWAMCSA-N -1 3 381.881 3.110 20 0 GGADHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(C)(C)C)s1 ZINC000425210194 566616949 /nfs/dbraw/zinc/61/69/49/566616949.db2.gz VWYKXOZRKHBJHF-LLVKDONJSA-N -1 3 382.507 3.267 20 0 GGADHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cc(C)ccc1C ZINC000629112051 566617376 /nfs/dbraw/zinc/61/73/76/566617376.db2.gz QMDSZZXTEAYDEK-INIZCTEOSA-N -1 3 380.535 3.301 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ncc(Cl)s1 ZINC000674932407 566618171 /nfs/dbraw/zinc/61/81/71/566618171.db2.gz MENGYFGOMWRCLL-UHFFFAOYSA-N -1 3 375.841 3.234 20 0 GGADHM O=S(=O)([N-][C@@H](Cc1ccccc1)C1CC1)c1cncc(Br)c1 ZINC000605800358 566618476 /nfs/dbraw/zinc/61/84/76/566618476.db2.gz UGMPXHZQZXFTLS-INIZCTEOSA-N -1 3 381.295 3.144 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(F)c2)s1 ZINC000605797594 566618644 /nfs/dbraw/zinc/61/86/44/566618644.db2.gz OASWXFGNELOOLB-LLVKDONJSA-N -1 3 384.498 3.298 20 0 GGADHM CC1CCC(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)CC1 ZINC000486754506 566619034 /nfs/dbraw/zinc/61/90/34/566619034.db2.gz UDXQDSGPFVYPJK-UHFFFAOYSA-N -1 3 381.314 3.491 20 0 GGADHM Cn1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c2cc(F)ccc21 ZINC000513737427 566621077 /nfs/dbraw/zinc/62/10/77/566621077.db2.gz BXCWXLVHESUKQT-UHFFFAOYSA-N -1 3 387.212 3.402 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000675016876 566621354 /nfs/dbraw/zinc/62/13/54/566621354.db2.gz SJNXJPYZPYFILI-LLVKDONJSA-N -1 3 380.329 3.022 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c[nH]c(-c2ccccc2)n1 ZINC000513733310 566621584 /nfs/dbraw/zinc/62/15/84/566621584.db2.gz OPQJZVAUPICCKJ-UHFFFAOYSA-N -1 3 382.221 3.161 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC000652624883 566622259 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20 0 GGADHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000467502337 566650372 /nfs/dbraw/zinc/65/03/72/566650372.db2.gz CFWAYADHCRVUMO-RNCFNFMXSA-N -1 3 382.835 3.120 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCN1c1ccc(Cl)cc1 ZINC000606908336 566650647 /nfs/dbraw/zinc/65/06/47/566650647.db2.gz NMPQPCJFRJUGHZ-MRXNPFEDSA-N -1 3 399.299 3.218 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC000560718470 566651765 /nfs/dbraw/zinc/65/17/65/566651765.db2.gz IZVYMYWHJZTNJB-UHFFFAOYSA-N -1 3 376.331 3.005 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CCc2cc(Cl)cs2)ccc1F ZINC000560717392 566651873 /nfs/dbraw/zinc/65/18/73/566651873.db2.gz OFKHYBMVCJCXIW-UHFFFAOYSA-N -1 3 376.862 3.020 20 0 GGADHM CCSc1ccc(CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000560717741 566651973 /nfs/dbraw/zinc/65/19/73/566651973.db2.gz RKPKWQJJLGSHDW-UHFFFAOYSA-N -1 3 382.482 3.027 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)ccc1F ZINC000560717239 566652135 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CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000467771461 566663971 /nfs/dbraw/zinc/66/39/71/566663971.db2.gz VCGZPMAUPGJTNB-UHFFFAOYSA-N -1 3 395.428 3.213 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)sc1Br ZINC000467772360 566664193 /nfs/dbraw/zinc/66/41/93/566664193.db2.gz OOWDMOZMGLVPQA-UHFFFAOYSA-N -1 3 396.357 3.272 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)s1 ZINC000467773644 566664895 /nfs/dbraw/zinc/66/48/95/566664895.db2.gz RXAKTPBCUKYVGV-UHFFFAOYSA-N -1 3 395.428 3.213 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2sc(C)cc2Br)c(F)c1 ZINC000467779067 566665342 /nfs/dbraw/zinc/66/53/42/566665342.db2.gz VGKSBIOSRCXNJN-UHFFFAOYSA-N -1 3 394.287 3.445 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc(Br)c2)s1 ZINC000467777128 566665424 /nfs/dbraw/zinc/66/54/24/566665424.db2.gz VKDADZKKIBTOPU-UHFFFAOYSA-N -1 3 390.328 3.077 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000487350945 566665423 /nfs/dbraw/zinc/66/54/23/566665423.db2.gz 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3.198 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCCC3(F)F)cc2N1 ZINC000514912515 566678706 /nfs/dbraw/zinc/67/87/06/566678706.db2.gz VUCVZSGDBAOZDA-NSHDSACASA-N -1 3 392.855 3.329 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000561148211 566679083 /nfs/dbraw/zinc/67/90/83/566679083.db2.gz RSCVSNKODQNYKT-NSHDSACASA-N -1 3 376.229 3.475 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000514926804 566679846 /nfs/dbraw/zinc/67/98/46/566679846.db2.gz IIDZEPDSHKTKTA-XYZCENFISA-N -1 3 380.213 3.475 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)s1 ZINC000676204175 566680115 /nfs/dbraw/zinc/68/01/15/566680115.db2.gz ZPKAJWJYHWPENN-UHFFFAOYSA-N -1 3 379.511 3.071 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000561148198 566680124 /nfs/dbraw/zinc/68/01/24/566680124.db2.gz RSCVSNKODQNYKT-LLVKDONJSA-N -1 3 376.229 3.475 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(I)c(Cl)c1 ZINC000561155683 566680776 /nfs/dbraw/zinc/68/07/76/566680776.db2.gz XFZMPPSXOYIKCU-UHFFFAOYSA-N -1 3 397.603 3.267 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000540940004 566682707 /nfs/dbraw/zinc/68/27/07/566682707.db2.gz TWGRXCDZOQDQIP-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM CCc1cc(C(=O)NC[C@H](CO)Cc2ccccc2Br)ccc1[O-] ZINC000487623727 566684525 /nfs/dbraw/zinc/68/45/25/566684525.db2.gz SDIHTOWSIIYFGW-CYBMUJFWSA-N -1 3 392.293 3.298 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000580329787 566684644 /nfs/dbraw/zinc/68/46/44/566684644.db2.gz NAOIPXKXAGANTM-WDEREUQCSA-N -1 3 388.187 3.366 20 0 GGADHM C[C@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1C(=O)[O-] ZINC000629772364 566684848 /nfs/dbraw/zinc/68/48/48/566684848.db2.gz NSFPUJGWJBROTB-BLLLJJGKSA-N -1 3 378.270 3.177 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1F ZINC000540992679 566685863 /nfs/dbraw/zinc/68/58/63/566685863.db2.gz ZCFBATIPLUSNLI-ZDUSSCGKSA-N -1 3 377.359 3.165 20 0 GGADHM CCc1cc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)ccc1[O-] ZINC000487632666 566686072 /nfs/dbraw/zinc/68/60/72/566686072.db2.gz SLRCARJXUCKOIQ-AWEZNQCLSA-N -1 3 392.293 3.298 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1COCc2ccccc21 ZINC000515046974 566687327 /nfs/dbraw/zinc/68/73/27/566687327.db2.gz UFWGJSNQHGAUJD-CQSZACIVSA-N -1 3 398.278 3.008 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC000515046973 566687404 /nfs/dbraw/zinc/68/74/04/566687404.db2.gz UFWGJSNQHGAUJD-AWEZNQCLSA-N -1 3 398.278 3.008 20 0 GGADHM CCCc1csc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)n1 ZINC000426039429 566689485 /nfs/dbraw/zinc/68/94/85/566689485.db2.gz MJOYBSWKAPFEOC-UHFFFAOYSA-N -1 3 385.580 3.100 20 0 GGADHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000608022265 566690669 /nfs/dbraw/zinc/69/06/69/566690669.db2.gz MZGIHIIWJDCKSZ-UHFFFAOYSA-N -1 3 399.310 3.109 20 0 GGADHM O=S(=O)([N-]CC1(c2ccncc2)CCCC1)c1cncc(Br)c1 ZINC000580408608 566690872 /nfs/dbraw/zinc/69/08/72/566690872.db2.gz OORFHPHLFRILCV-UHFFFAOYSA-N -1 3 396.310 3.029 20 0 GGADHM O=S(=O)([N-]CCc1ccc(OC(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000608018713 566690741 /nfs/dbraw/zinc/69/07/41/566690741.db2.gz GEJNUKCLWNXCHM-UHFFFAOYSA-N -1 3 381.322 3.226 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)CCCC1 ZINC000515094459 566690956 /nfs/dbraw/zinc/69/09/56/566690956.db2.gz NCVDBWDYRUWTRU-UHFFFAOYSA-N -1 3 386.322 3.208 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(Cl)c1Cl ZINC000608022902 566691179 /nfs/dbraw/zinc/69/11/79/566691179.db2.gz GAJFOZGVSHJNJW-UHFFFAOYSA-N -1 3 388.272 3.415 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)[C@@H]2CCCO[C@@H]21 ZINC000676416092 566691256 /nfs/dbraw/zinc/69/12/56/566691256.db2.gz HMVIQBNGOSVOLO-GDLCADMTSA-N -1 3 392.290 3.070 20 0 GGADHM CCc1[nH]c(C(=O)Nc2ccc(Br)cc2[O-])c(C)c1C(=O)OC ZINC000515078374 566691684 /nfs/dbraw/zinc/69/16/84/566691684.db2.gz BVCJSXHMMLIKBI-UHFFFAOYSA-N -1 3 381.226 3.393 20 0 GGADHM Cc1cc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cc(=O)[nH]1 ZINC000561283948 566692428 /nfs/dbraw/zinc/69/24/28/566692428.db2.gz BTXZQSHXUXMQSV-UHFFFAOYSA-N -1 3 399.208 3.360 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)s1 ZINC000608025478 566693085 /nfs/dbraw/zinc/69/30/85/566693085.db2.gz MFNISWRMOSJGNQ-QMMMGPOBSA-N -1 3 379.301 3.463 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)[C@H]2CCCO[C@H]21 ZINC000608033056 566693789 /nfs/dbraw/zinc/69/37/89/566693789.db2.gz OZGJPXDANFZNHI-LERXQTSPSA-N -1 3 392.290 3.070 20 0 GGADHM CC[C@@]1(C)CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000468253077 566693981 /nfs/dbraw/zinc/69/39/81/566693981.db2.gz OSIHJKVWAXYORL-INIZCTEOSA-N -1 3 393.336 3.310 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@H]2CCCO[C@H]21 ZINC000608033217 566694221 /nfs/dbraw/zinc/69/42/21/566694221.db2.gz SSASGQAARKPIOZ-LERXQTSPSA-N -1 3 381.391 3.326 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000608032506 566694346 /nfs/dbraw/zinc/69/43/46/566694346.db2.gz CQHBTQSTCTYLLB-WCQGTBRESA-N -1 3 394.356 3.301 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)c(F)c1 ZINC000608040625 566695281 /nfs/dbraw/zinc/69/52/81/566695281.db2.gz KIBQBWFVKTUFJA-LBPRGKRZSA-N -1 3 382.482 3.243 20 0 GGADHM CCO[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H]1C ZINC000653821841 566695691 /nfs/dbraw/zinc/69/56/91/566695691.db2.gz QELPWRPRPAUNHL-DIFFPNOSSA-N -1 3 393.281 3.178 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)c(F)c1 ZINC000608040624 566695858 /nfs/dbraw/zinc/69/58/58/566695858.db2.gz KIBQBWFVKTUFJA-GFCCVEGCSA-N -1 3 382.482 3.243 20 0 GGADHM O[C@@H]1CCC[C@@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)C1 ZINC000580482257 566696215 /nfs/dbraw/zinc/69/62/15/566696215.db2.gz LKBMBIABIWACOA-ZYHUDNBSSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@@H]1CCC[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)C1 ZINC000580482257 566696222 /nfs/dbraw/zinc/69/62/22/566696222.db2.gz LKBMBIABIWACOA-ZYHUDNBSSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@@H]1CCC[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000580482257 566696229 /nfs/dbraw/zinc/69/62/29/566696229.db2.gz LKBMBIABIWACOA-ZYHUDNBSSA-N -1 3 390.241 3.303 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(C3CCCCC3)s2)c(C)o1 ZINC000541133572 566699849 /nfs/dbraw/zinc/69/98/49/566699849.db2.gz IUVBGRPPUPVRQW-UHFFFAOYSA-N -1 3 383.495 3.253 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000561401994 566701253 /nfs/dbraw/zinc/70/12/53/566701253.db2.gz USSKOPOLZNJFJF-NSHDSACASA-N -1 3 391.465 3.136 20 0 GGADHM COc1cc(C)ccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000580540678 566702237 /nfs/dbraw/zinc/70/22/37/566702237.db2.gz PBKIOYDECMJERF-UHFFFAOYSA-N -1 3 392.175 3.199 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCCC[C@H]1O ZINC000541212412 566702766 /nfs/dbraw/zinc/70/27/66/566702766.db2.gz PXHUDSHMDLGOBV-ZIAGYGMSSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000561417136 566703340 /nfs/dbraw/zinc/70/33/40/566703340.db2.gz DVWAUEVSQPBDJH-GXTWGEPZSA-N -1 3 398.937 3.290 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000561417139 566703536 /nfs/dbraw/zinc/70/35/36/566703536.db2.gz DVWAUEVSQPBDJH-TZMCWYRMSA-N -1 3 398.937 3.290 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)OCCc2sccc21 ZINC000561403408 566703578 /nfs/dbraw/zinc/70/35/78/566703578.db2.gz WHCMCJOOJQVDGT-HNNXBMFYSA-N -1 3 375.874 3.307 20 0 GGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541217158 566705017 /nfs/dbraw/zinc/70/50/17/566705017.db2.gz QWBRISQZVUWTDL-JTQLQIEISA-N -1 3 376.247 3.481 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000515349267 566706885 /nfs/dbraw/zinc/70/68/85/566706885.db2.gz DCHFXJHNFWETQR-YUTCNCBUSA-N -1 3 379.881 3.313 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC000561476792 566707769 /nfs/dbraw/zinc/70/77/69/566707769.db2.gz HKMJWIYENVWEKA-UHFFFAOYSA-N -1 3 379.331 3.082 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)(C)C)s1 ZINC000561473668 566708140 /nfs/dbraw/zinc/70/81/40/566708140.db2.gz DWIQCHNJRZJVFP-HNNXBMFYSA-N -1 3 381.523 3.476 20 0 GGADHM COC(=O)c1ccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)[n-]1 ZINC000426394929 566708647 /nfs/dbraw/zinc/70/86/47/566708647.db2.gz LCGFUXGVBWZQGU-UHFFFAOYSA-N -1 3 380.173 3.344 20 0 GGADHM CC1(C)C[C@@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000488147842 566709123 /nfs/dbraw/zinc/70/91/23/566709123.db2.gz QZPRAWQBPROMRT-LLVKDONJSA-N -1 3 384.548 3.064 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1 ZINC000468544473 566709247 /nfs/dbraw/zinc/70/92/47/566709247.db2.gz SFZNOGKWCTZZQE-UHFFFAOYSA-N -1 3 392.321 3.015 20 0 GGADHM COC(=O)c1ccc(-c2nc(-c3cc(Br)ccc3OC)no2)[n-]1 ZINC000426435547 566710187 /nfs/dbraw/zinc/71/01/87/566710187.db2.gz LSERFQDHRPZHBO-UHFFFAOYSA-N -1 3 378.182 3.289 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(c3cccc(C)c3)CCCC2)s1 ZINC000561505280 566710362 /nfs/dbraw/zinc/71/03/62/566710362.db2.gz FTQMZADSJAIKCK-UHFFFAOYSA-N -1 3 379.507 3.158 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1csc(Cl)c1 ZINC000468568150 566711016 /nfs/dbraw/zinc/71/10/16/566711016.db2.gz BHRUPYYOPVDXJX-UHFFFAOYSA-N -1 3 398.815 3.494 20 0 GGADHM C[C@@](CO)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000676850954 566711216 /nfs/dbraw/zinc/71/12/16/566711216.db2.gz MGBHLNBJLIXCTE-HNNXBMFYSA-N -1 3 377.359 3.031 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC(F)(F)F ZINC000515410089 566711227 /nfs/dbraw/zinc/71/12/27/566711227.db2.gz CRBMJLFWNXUHLY-UHFFFAOYSA-N -1 3 379.231 3.156 20 0 GGADHM C[C@@](CO)([N-]S(=O)(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000676853428 566711335 /nfs/dbraw/zinc/71/13/35/566711335.db2.gz SJYWOUHCHOBDNM-HNNXBMFYSA-N -1 3 377.359 3.031 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)c(Cl)c1Cl ZINC000676850847 566711574 /nfs/dbraw/zinc/71/15/74/566711574.db2.gz KPQIWDTYLLWYSA-MRXNPFEDSA-N -1 3 390.288 3.188 20 0 GGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000676862788 566712332 /nfs/dbraw/zinc/71/23/32/566712332.db2.gz SSQKJVZLFGHPJF-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000608342825 566713243 /nfs/dbraw/zinc/71/32/43/566713243.db2.gz CBIHWHCXWXJSME-SSDOTTSWSA-N -1 3 378.397 3.163 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC000580670849 566713501 /nfs/dbraw/zinc/71/35/01/566713501.db2.gz GGLYVDPDAIAUGG-AWEZNQCLSA-N -1 3 398.937 3.182 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561519021 566713796 /nfs/dbraw/zinc/71/37/96/566713796.db2.gz FOPNQWMXUOHCMF-NSHDSACASA-N -1 3 387.395 3.047 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)CC2)cc1 ZINC000580677938 566713926 /nfs/dbraw/zinc/71/39/26/566713926.db2.gz DILYITFINCGMLE-KOMQPUFPSA-N -1 3 388.555 3.085 20 0 GGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000676891231 566714043 /nfs/dbraw/zinc/71/40/43/566714043.db2.gz CYNYMEZTLQBZFB-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1cc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[n-]c(=O)n1 ZINC000468607693 566714809 /nfs/dbraw/zinc/71/48/09/566714809.db2.gz KZQAFGIHVWVRIG-UHFFFAOYSA-N -1 3 382.645 3.105 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C(C)(C)O1 ZINC000561531297 566715034 /nfs/dbraw/zinc/71/50/34/566715034.db2.gz RBZLGOBVNAFPJX-LLVKDONJSA-N -1 3 385.379 3.349 20 0 GGADHM CS[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(C)(C)C ZINC000541313372 566715330 /nfs/dbraw/zinc/71/53/30/566715330.db2.gz UCXDQMPMQKFCNN-CQSZACIVSA-N -1 3 390.958 3.281 20 0 GGADHM COc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000676905312 566715408 /nfs/dbraw/zinc/71/54/08/566715408.db2.gz UAEBSGWOBBFUMY-UHFFFAOYSA-N -1 3 395.333 3.132 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(Br)cc1F ZINC000426509970 566715953 /nfs/dbraw/zinc/71/59/53/566715953.db2.gz UYIILLWTTICUMK-SSDOTTSWSA-N -1 3 381.180 3.490 20 0 GGADHM O=C(CCc1cccnc1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000608362344 566716048 /nfs/dbraw/zinc/71/60/48/566716048.db2.gz FHQWGNFZTOAAOI-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(Br)cc1F ZINC000426509970 566715958 /nfs/dbraw/zinc/71/59/58/566715958.db2.gz UYIILLWTTICUMK-SSDOTTSWSA-N -1 3 381.180 3.490 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1F ZINC000426509970 566715963 /nfs/dbraw/zinc/71/59/63/566715963.db2.gz UYIILLWTTICUMK-SSDOTTSWSA-N -1 3 381.180 3.490 20 0 GGADHM CC(C)CCn1cccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000676904293 566716233 /nfs/dbraw/zinc/71/62/33/566716233.db2.gz HFHHKCGEQIFWMX-UHFFFAOYSA-N -1 3 389.974 3.317 20 0 GGADHM C[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)CC(C)(C)C ZINC000676944731 566717277 /nfs/dbraw/zinc/71/72/77/566717277.db2.gz FGCJSLUPVLXJPI-NSHDSACASA-N -1 3 380.963 3.258 20 0 GGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538326 566717496 /nfs/dbraw/zinc/71/74/96/566717496.db2.gz LRLHEZNJBAHGNX-GXFFZTMASA-N -1 3 385.379 3.206 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000515519609 566717580 /nfs/dbraw/zinc/71/75/80/566717580.db2.gz HSIGOXHKPZEJEK-UHFFFAOYSA-N -1 3 384.860 3.485 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000676945573 566717729 /nfs/dbraw/zinc/71/77/29/566717729.db2.gz FIBHAJUNXHCUCM-BXUZGUMPSA-N -1 3 390.958 3.034 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(F)cc2)sc1Cl ZINC000580732291 566718261 /nfs/dbraw/zinc/71/82/61/566718261.db2.gz KJNMHLBVGITADO-ZDUSSCGKSA-N -1 3 376.906 3.430 20 0 GGADHM C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000426584759 566718614 /nfs/dbraw/zinc/71/86/14/566718614.db2.gz ANFGKTDQNGTXCF-VIFPVBQESA-N -1 3 385.222 3.445 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000541340191 566718691 /nfs/dbraw/zinc/71/86/91/566718691.db2.gz AVIDMMYKJFZGAN-AWEZNQCLSA-N -1 3 393.285 3.074 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC(C)(C)Cc3oc(C)cc32)s1 ZINC000515527206 566719080 /nfs/dbraw/zinc/71/90/80/566719080.db2.gz RJJJTHAXRVMMGM-LBPRGKRZSA-N -1 3 383.491 3.428 20 0 GGADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488294486 566719717 /nfs/dbraw/zinc/71/97/17/566719717.db2.gz KXRAJHRMJRYVOA-UHFFFAOYSA-N -1 3 376.747 3.431 20 0 GGADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488294486 566719722 /nfs/dbraw/zinc/71/97/22/566719722.db2.gz KXRAJHRMJRYVOA-UHFFFAOYSA-N -1 3 376.747 3.431 20 0 GGADHM C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000580740227 566719762 /nfs/dbraw/zinc/71/97/62/566719762.db2.gz ICIZCHCGKVVCCK-AWEZNQCLSA-N -1 3 376.298 3.429 20 0 GGADHM CC(C)Oc1cncc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000654152876 566719700 /nfs/dbraw/zinc/71/97/00/566719700.db2.gz HGTUWAFNBWROPQ-UHFFFAOYSA-N -1 3 381.230 3.054 20 0 GGADHM CC(=O)c1sc2[n-]c(CSc3nnc(C)n3C(C)C)nc(=O)c2c1C ZINC000488305960 566719833 /nfs/dbraw/zinc/71/98/33/566719833.db2.gz ZCQDNQMQAJBGKZ-UHFFFAOYSA-N -1 3 377.495 3.269 20 0 GGADHM COC(=O)c1ccc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)[n-]1 ZINC000426615002 566719891 /nfs/dbraw/zinc/71/98/91/566719891.db2.gz JBBSOSLRPLZSLE-UHFFFAOYSA-N -1 3 398.163 3.483 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(F)c(Br)c(Cl)c1 ZINC000561559275 566720080 /nfs/dbraw/zinc/72/00/80/566720080.db2.gz RIFSSZMNVDOEKX-NSHDSACASA-N -1 3 388.624 3.490 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCSC(C)C ZINC000561554620 566720411 /nfs/dbraw/zinc/72/04/11/566720411.db2.gz SKQIFJNXLKXASW-UHFFFAOYSA-N -1 3 386.308 3.017 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000561560272 566721171 /nfs/dbraw/zinc/72/11/71/566721171.db2.gz KHKDXZGKLDCADX-UHLUBPPHSA-N -1 3 392.271 3.450 20 0 GGADHM COc1ccc(Br)cc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426655996 566721531 /nfs/dbraw/zinc/72/15/31/566721531.db2.gz VMJDPWJWGMAUPE-MRXNPFEDSA-N -1 3 398.228 3.219 20 0 GGADHM COc1cc(Br)c(CNCCc2ccccc2C(=O)[O-])cc1OC ZINC000426646352 566721625 /nfs/dbraw/zinc/72/16/25/566721625.db2.gz IWNOJWFPPXZNAH-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM COc1ccc(Br)cc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426655995 566721911 /nfs/dbraw/zinc/72/19/11/566721911.db2.gz VMJDPWJWGMAUPE-INIZCTEOSA-N -1 3 398.228 3.219 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)c1 ZINC000561560111 566721764 /nfs/dbraw/zinc/72/17/64/566721764.db2.gz ANVKOGSQRXLBDO-LLVKDONJSA-N -1 3 390.288 3.056 20 0 GGADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000561562866 566721864 /nfs/dbraw/zinc/72/18/64/566721864.db2.gz MPVHIAUCRGQEAM-UHFFFAOYSA-N -1 3 376.169 3.207 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1ccc(Cl)cc1Br ZINC000541367375 566721980 /nfs/dbraw/zinc/72/19/80/566721980.db2.gz DOGBINPRZYFNAM-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541370716 566722044 /nfs/dbraw/zinc/72/20/44/566722044.db2.gz IIBSNVNUCPUQKU-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000541390796 566722787 /nfs/dbraw/zinc/72/27/87/566722787.db2.gz TZWUSRNDFXUMJR-ZJUUUORDSA-N -1 3 375.899 3.421 20 0 GGADHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000541390792 566723209 /nfs/dbraw/zinc/72/32/09/566723209.db2.gz TZWUSRNDFXUMJR-UWVGGRQHSA-N -1 3 375.899 3.421 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCC[C@H]1CF ZINC000561610333 566723469 /nfs/dbraw/zinc/72/34/69/566723469.db2.gz KNBXZVDFXDCDIQ-AWEZNQCLSA-N -1 3 388.530 3.323 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2scnc2C)c(C(=O)OCC)c1C ZINC000515599800 566723714 /nfs/dbraw/zinc/72/37/14/566723714.db2.gz OOGDZHDSEGUVHI-UHFFFAOYSA-N -1 3 382.463 3.427 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000515619145 566724048 /nfs/dbraw/zinc/72/40/48/566724048.db2.gz SROTUBRGHDKAJY-MRVPVSSYSA-N -1 3 377.413 3.085 20 0 GGADHM CC(C)OCCCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000541435044 566724432 /nfs/dbraw/zinc/72/44/32/566724432.db2.gz APYXHTDFMDVGHE-UHFFFAOYSA-N -1 3 392.880 3.064 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CCCOC(C)C)c(F)cc1F ZINC000541426611 566724864 /nfs/dbraw/zinc/72/48/64/566724864.db2.gz BDTISGGDCBOQAS-UHFFFAOYSA-N -1 3 378.441 3.260 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)cs3)c(C)c2)CC1 ZINC000450967726 566725018 /nfs/dbraw/zinc/72/50/18/566725018.db2.gz INEVSFRTGNDHAS-UHFFFAOYSA-N -1 3 379.551 3.308 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2cc(C(F)(F)F)ccc2Cl)C(=O)[O-])n1 ZINC000426732764 566725555 /nfs/dbraw/zinc/72/55/55/566725555.db2.gz JTCZOQQHUDIBFD-AWEZNQCLSA-N -1 3 375.778 3.415 20 0 GGADHM CC(C)Oc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000426734328 566725688 /nfs/dbraw/zinc/72/56/88/566725688.db2.gz PURJYYCBXXQLBQ-UHFFFAOYSA-N -1 3 388.898 3.106 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2cc(Br)c(Cl)s2)C(=O)[O-])n1 ZINC000426731061 566725913 /nfs/dbraw/zinc/72/59/13/566725913.db2.gz CKNZHRWTDBVIFZ-NSHDSACASA-N -1 3 392.706 3.220 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2ccc(Br)cc2Cl)C(=O)[O-])n1 ZINC000426727029 566726011 /nfs/dbraw/zinc/72/60/11/566726011.db2.gz MCNHEJHMRHNGLT-AWEZNQCLSA-N -1 3 386.677 3.159 20 0 GGADHM Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)o1 ZINC000677147923 566726812 /nfs/dbraw/zinc/72/68/12/566726812.db2.gz LIKAJRALMAHPDJ-UHFFFAOYSA-N -1 3 386.832 3.002 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1cccc(F)c1 ZINC000426762658 566726747 /nfs/dbraw/zinc/72/67/47/566726747.db2.gz MFNYZYMOZLXJGS-HNNXBMFYSA-N -1 3 396.212 3.275 20 0 GGADHM NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000580846188 566727284 /nfs/dbraw/zinc/72/72/84/566727284.db2.gz FRMQUSZUPQTVGA-NSHDSACASA-N -1 3 391.251 3.028 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3sccc3F)c(C)c2)CC1 ZINC000450976245 566727462 /nfs/dbraw/zinc/72/74/62/566727462.db2.gz YZHCXWWAYCFIJC-UHFFFAOYSA-N -1 3 383.514 3.138 20 0 GGADHM COc1ccc(Br)cc1CN[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000426741743 566727817 /nfs/dbraw/zinc/72/78/17/566727817.db2.gz MVICMXUKGWHOPH-HNNXBMFYSA-N -1 3 382.229 3.382 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2sccc2Br)CCCCCC1 ZINC000515710840 566728309 /nfs/dbraw/zinc/72/83/09/566728309.db2.gz HLKOEXMSDARTJN-UHFFFAOYSA-N -1 3 395.388 3.444 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)s1 ZINC000515725344 566728336 /nfs/dbraw/zinc/72/83/36/566728336.db2.gz OAXIBBHOCNRILE-LLVKDONJSA-N -1 3 387.479 3.189 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000515699966 566728637 /nfs/dbraw/zinc/72/86/37/566728637.db2.gz APZMHCZMYDYHDG-UHFFFAOYSA-N -1 3 387.288 3.360 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1cc(Br)ccc1F ZINC000426772496 566728607 /nfs/dbraw/zinc/72/86/07/566728607.db2.gz KEQPGXHBVXVJFX-CQSZACIVSA-N -1 3 396.212 3.102 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000450983633 566728665 /nfs/dbraw/zinc/72/86/65/566728665.db2.gz RSTFBIYSTODIOQ-GJZGRUSLSA-N -1 3 376.469 3.161 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)s1 ZINC000515725345 566728773 /nfs/dbraw/zinc/72/87/73/566728773.db2.gz OAXIBBHOCNRILE-NSHDSACASA-N -1 3 387.479 3.189 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1ccc(Br)cc1F ZINC000426775276 566728834 /nfs/dbraw/zinc/72/88/34/566728834.db2.gz ZEAPGVJDCFOCGA-CQSZACIVSA-N -1 3 396.212 3.102 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[n-]1 ZINC000630430954 566728974 /nfs/dbraw/zinc/72/89/74/566728974.db2.gz RZZGOBHZLDWEAO-TZMCWYRMSA-N -1 3 381.523 3.121 20 0 GGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000630430954 566728980 /nfs/dbraw/zinc/72/89/80/566728980.db2.gz RZZGOBHZLDWEAO-TZMCWYRMSA-N -1 3 381.523 3.121 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)[n-]1 ZINC000630430952 566729108 /nfs/dbraw/zinc/72/91/08/566729108.db2.gz RZZGOBHZLDWEAO-OCCSQVGLSA-N -1 3 381.523 3.121 20 0 GGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000630430952 566729115 /nfs/dbraw/zinc/72/91/15/566729115.db2.gz RZZGOBHZLDWEAO-OCCSQVGLSA-N -1 3 381.523 3.121 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000450979674 566729457 /nfs/dbraw/zinc/72/94/57/566729457.db2.gz AYKNMPYFPVLGAP-INIZCTEOSA-N -1 3 386.876 3.329 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1ccc(Br)cc1F ZINC000426775274 566729786 /nfs/dbraw/zinc/72/97/86/566729786.db2.gz ZEAPGVJDCFOCGA-AWEZNQCLSA-N -1 3 396.212 3.102 20 0 GGADHM CC(C)[C@@H](CC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000426812004 566730594 /nfs/dbraw/zinc/73/05/94/566730594.db2.gz PKHOBELCHQKEQS-SNVBAGLBSA-N -1 3 380.080 3.196 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)s1 ZINC000515727644 566730253 /nfs/dbraw/zinc/73/02/53/566730253.db2.gz GNSACCKQZZTNFZ-UHFFFAOYSA-N -1 3 391.923 3.259 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000426813490 566730453 /nfs/dbraw/zinc/73/04/53/566730453.db2.gz XRNRTECBXNFATM-HNNXBMFYSA-N -1 3 396.212 3.275 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000450987198 566731241 /nfs/dbraw/zinc/73/12/41/566731241.db2.gz KICCVUQHDWIYDI-QGZVFWFLSA-N -1 3 388.867 3.341 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CCCCC1 ZINC000515754012 566731376 /nfs/dbraw/zinc/73/13/76/566731376.db2.gz ZZRKRSIEKICWDO-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1ccc(F)cc1F ZINC000515755423 566731393 /nfs/dbraw/zinc/73/13/93/566731393.db2.gz JEPIXQHFEDUTSK-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F ZINC000468804561 566731524 /nfs/dbraw/zinc/73/15/24/566731524.db2.gz CSLNBRXUZIUPTI-ZJUUUORDSA-N -1 3 389.823 3.230 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000677239351 566732156 /nfs/dbraw/zinc/73/21/56/566732156.db2.gz RXZUDXJOADICAM-UHFFFAOYSA-N -1 3 380.775 3.111 20 0 GGADHM Cc1cccc(C[C@@H](CNCc2ncc(Br)cc2F)C(=O)[O-])c1 ZINC000630451147 566732336 /nfs/dbraw/zinc/73/23/36/566732336.db2.gz CGGGPNKUSOMZQQ-ZDUSSCGKSA-N -1 3 381.245 3.325 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000677239046 566732328 /nfs/dbraw/zinc/73/23/28/566732328.db2.gz LSBMFOCJJSVKLD-UHFFFAOYSA-N -1 3 376.425 3.480 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2)c1)c1cncc(Cl)c1 ZINC000677239420 566732634 /nfs/dbraw/zinc/73/26/34/566732634.db2.gz SYLDOPNUGODMOU-UHFFFAOYSA-N -1 3 375.837 3.401 20 0 GGADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1csc(NC2CC2)n1 ZINC000426831472 566732941 /nfs/dbraw/zinc/73/29/41/566732941.db2.gz FJMXVFHAQUPSDY-UHFFFAOYSA-N -1 3 391.909 3.487 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000677238643 566732855 /nfs/dbraw/zinc/73/28/55/566732855.db2.gz GDDJUPCIJQTMLH-UHFFFAOYSA-N -1 3 386.926 3.132 20 0 GGADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1cncc(Cl)c1 ZINC000677234390 566732917 /nfs/dbraw/zinc/73/29/17/566732917.db2.gz TXZQBTGWOWGGBY-UHFFFAOYSA-N -1 3 397.953 3.127 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CCCc2cccc(Br)c2)s1 ZINC000677239345 566733168 /nfs/dbraw/zinc/73/31/68/566733168.db2.gz QUJWPROCVOWWDH-UHFFFAOYSA-N -1 3 375.313 3.125 20 0 GGADHM Cc1ccccc1C[C@H](CNCc1cc(C)c(Br)cn1)C(=O)[O-] ZINC000630452825 566733196 /nfs/dbraw/zinc/73/31/96/566733196.db2.gz OZHDEIKDFWFINA-OAHLLOKOSA-N -1 3 377.282 3.494 20 0 GGADHM Cc1cc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])sc1Br ZINC000426819613 566733388 /nfs/dbraw/zinc/73/33/88/566733388.db2.gz INSLTYWNTMJGNV-SNVBAGLBSA-N -1 3 378.288 3.094 20 0 GGADHM Cc1cccc(C[C@@H](CNCc2cc(C)c(Br)cn2)C(=O)[O-])c1 ZINC000630452775 566733586 /nfs/dbraw/zinc/73/35/86/566733586.db2.gz NZXCBSSFBPRDCY-HNNXBMFYSA-N -1 3 377.282 3.494 20 0 GGADHM COCC[C@@H](NCc1cc(Br)c(C)cc1Br)C(=O)[O-] ZINC000630457737 566733592 /nfs/dbraw/zinc/73/35/92/566733592.db2.gz FQZYRKMRGZBENA-GFCCVEGCSA-N -1 3 395.091 3.099 20 0 GGADHM O=C([O-])[C@@H](CCNCc1ncc(Br)cc1F)Cc1ccccc1 ZINC000630451270 566733653 /nfs/dbraw/zinc/73/36/53/566733653.db2.gz JHEUSQBKXRVHHE-ZDUSSCGKSA-N -1 3 381.245 3.406 20 0 GGADHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3ccc(Br)o3)c(=O)c2c1 ZINC000541559269 566733776 /nfs/dbraw/zinc/73/37/76/566733776.db2.gz ZFRBWMPQDMEUSJ-UHFFFAOYSA-N -1 3 375.222 3.464 20 0 GGADHM CCc1nc(C(=O)[N-]c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)co1 ZINC000541543934 566733814 /nfs/dbraw/zinc/73/38/14/566733814.db2.gz OTFHCANVFPMSDL-UHFFFAOYSA-N -1 3 385.873 3.173 20 0 GGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000451006524 566733957 /nfs/dbraw/zinc/73/39/57/566733957.db2.gz VJVIZOMDKNWUSF-LBPRGKRZSA-N -1 3 398.893 3.037 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccncc1C ZINC000677243992 566734054 /nfs/dbraw/zinc/73/40/54/566734054.db2.gz VWPKMZJFNLFAGE-UHFFFAOYSA-N -1 3 399.310 3.072 20 0 GGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cccc(Br)c3F)cn2c1 ZINC000561729874 566734170 /nfs/dbraw/zinc/73/41/70/566734170.db2.gz OHNFWCZJWBCDFX-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM CCc1cccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000561726351 566734458 /nfs/dbraw/zinc/73/44/58/566734458.db2.gz GBFARZLKEZWAFT-UHFFFAOYSA-N -1 3 381.881 3.202 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2Br)s1 ZINC000677240876 566734577 /nfs/dbraw/zinc/73/45/77/566734577.db2.gz JDHJVYJPTQTWMJ-VIFPVBQESA-N -1 3 375.313 3.124 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1cc(F)ccc1Br ZINC000561733769 566734579 /nfs/dbraw/zinc/73/45/79/566734579.db2.gz FLKMMIKUEMXUQS-SNVBAGLBSA-N -1 3 386.242 3.043 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000630466786 566735088 /nfs/dbraw/zinc/73/50/88/566735088.db2.gz AAJUFGLSWQHJCA-RYUDHWBXSA-N -1 3 382.176 3.190 20 0 GGADHM CCN=c1[n-]c(C(=O)N(CC)CCOc2ccc(Br)cc2)cs1 ZINC000426844722 566735205 /nfs/dbraw/zinc/73/52/05/566735205.db2.gz FIRVEGVPRRLLFB-UHFFFAOYSA-N -1 3 398.326 3.300 20 0 GGADHM COc1cc(CNCCc2nc(C(=O)[O-])cs2)c(F)cc1Br ZINC000630470303 566735255 /nfs/dbraw/zinc/73/52/55/566735255.db2.gz IBXIDCPLKJXOTO-UHFFFAOYSA-N -1 3 389.246 3.084 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(Br)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000630466782 566735370 /nfs/dbraw/zinc/73/53/70/566735370.db2.gz AAJUFGLSWQHJCA-NEPJUHHUSA-N -1 3 382.176 3.190 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1Br)NCc1ccnn1CC1CCC1 ZINC000630461593 566735425 /nfs/dbraw/zinc/73/54/25/566735425.db2.gz ZTRPOLOTRLWHAK-QGZVFWFLSA-N -1 3 392.297 3.231 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1cccc(Cl)c1 ZINC000561742364 566735879 /nfs/dbraw/zinc/73/58/79/566735879.db2.gz DLWIQWXEHOGWNN-AWEZNQCLSA-N -1 3 387.860 3.462 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Br ZINC000451017111 566736067 /nfs/dbraw/zinc/73/60/67/566736067.db2.gz PGGZROARVAENSK-ZETCQYMHSA-N -1 3 376.194 3.245 20 0 GGADHM Cc1cc(Br)c(CNC[C@]2(C(=O)[O-])CCCOC2)cc1Cl ZINC000630477330 566736141 /nfs/dbraw/zinc/73/61/41/566736141.db2.gz VQDGOOSPYLCOOL-OAHLLOKOSA-N -1 3 376.678 3.382 20 0 GGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000451022018 566737338 /nfs/dbraw/zinc/73/73/38/566737338.db2.gz GJLCPVUISGTNSP-SJLPKXTDSA-N -1 3 384.234 3.497 20 0 GGADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000561772759 566738659 /nfs/dbraw/zinc/73/86/59/566738659.db2.gz UDDIVCYZFWBBJQ-UHFFFAOYSA-N -1 3 387.816 3.465 20 0 GGADHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(F)cc(Cl)c3)c2c1 ZINC000677313846 566739136 /nfs/dbraw/zinc/73/91/36/566739136.db2.gz QSISPHYQPBYMQY-UHFFFAOYSA-N -1 3 382.844 3.490 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)c1Cl ZINC000677311707 566739977 /nfs/dbraw/zinc/73/99/77/566739977.db2.gz APHLNWKPNHYGAR-GFCCVEGCSA-N -1 3 392.304 3.333 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)c1Cl ZINC000677311708 566740040 /nfs/dbraw/zinc/74/00/40/566740040.db2.gz APHLNWKPNHYGAR-LBPRGKRZSA-N -1 3 392.304 3.333 20 0 GGADHM O=C(COc1cccc(I)c1)Nc1cc(F)ccc1[O-] ZINC000426990320 566740506 /nfs/dbraw/zinc/74/05/06/566740506.db2.gz HVGMHORDUDRJNX-UHFFFAOYSA-N -1 3 387.148 3.153 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)s1 ZINC000451045687 566742081 /nfs/dbraw/zinc/74/20/81/566742081.db2.gz YJMLSBIYBDGVNP-CBAPKCEASA-N -1 3 393.836 3.266 20 0 GGADHM CN(C)C(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488686709 566741355 /nfs/dbraw/zinc/74/13/55/566741355.db2.gz OYBJOGBDICUHHL-UHFFFAOYSA-N -1 3 392.253 3.178 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@H]2CCO[C@H]21 ZINC000581004539 566742872 /nfs/dbraw/zinc/74/28/72/566742872.db2.gz CZMBNWIXAIDESM-BZHVJNSISA-N -1 3 394.718 3.194 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccnn1CCN(C)C ZINC000451046754 566742817 /nfs/dbraw/zinc/74/28/17/566742817.db2.gz QLCCHWWEISDALH-UHFFFAOYSA-N -1 3 398.941 3.422 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccsc1 ZINC000451042635 566743117 /nfs/dbraw/zinc/74/31/17/566743117.db2.gz WNRQPRIXYOOJQL-OAHLLOKOSA-N -1 3 376.906 3.263 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@@H]2CCO[C@@H]21 ZINC000581004540 566743259 /nfs/dbraw/zinc/74/32/59/566743259.db2.gz CZMBNWIXAIDESM-CKLFPEKLSA-N -1 3 394.718 3.194 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@@H]2CCO[C@H]21 ZINC000581004542 566743277 /nfs/dbraw/zinc/74/32/77/566743277.db2.gz CZMBNWIXAIDESM-ZEGGKSINSA-N -1 3 394.718 3.194 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1Br ZINC000468941122 566745444 /nfs/dbraw/zinc/74/54/44/566745444.db2.gz LXKWSEGKIJZYOA-UHFFFAOYSA-N -1 3 376.663 3.189 20 0 GGADHM O=S(=O)(Cc1ccccc1Cl)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000541760762 566745728 /nfs/dbraw/zinc/74/57/28/566745728.db2.gz OYQOAMDGUXXQTM-AWEZNQCLSA-N -1 3 378.252 3.286 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccccc1)C(C)C ZINC000561887284 566746359 /nfs/dbraw/zinc/74/63/59/566746359.db2.gz IJMWVIWJWWYBSX-HIFRSBDPSA-N -1 3 381.416 3.187 20 0 GGADHM Cc1cc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)nc(C)n1 ZINC000541760694 566746608 /nfs/dbraw/zinc/74/66/08/566746608.db2.gz JSEUTPWAZJHLOH-UHFFFAOYSA-N -1 3 390.216 3.059 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1OCC1CCC1 ZINC000468959546 566746812 /nfs/dbraw/zinc/74/68/12/566746812.db2.gz MFOSKCWIKAZMHS-HOCLYGCPSA-N -1 3 387.929 3.348 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000451067117 566746797 /nfs/dbraw/zinc/74/67/97/566746797.db2.gz VZPUNLAERGJFPX-ZDUSSCGKSA-N -1 3 395.424 3.205 20 0 GGADHM O=C1CCCN1C[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451062692 566746939 /nfs/dbraw/zinc/74/69/39/566746939.db2.gz KHEWCQBTCDLYIR-AWEZNQCLSA-N -1 3 384.910 3.044 20 0 GGADHM O=C(NC[C@@H]1CCCC1(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581055683 566747432 /nfs/dbraw/zinc/74/74/32/566747432.db2.gz SWTRXTYFGNKOMU-VIFPVBQESA-N -1 3 385.208 3.456 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000451063649 566747367 /nfs/dbraw/zinc/74/73/67/566747367.db2.gz QANPAFVKYJSYIA-GFCCVEGCSA-N -1 3 378.397 3.236 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Br)c2)CCCCC1 ZINC000427109446 566748397 /nfs/dbraw/zinc/74/83/97/566748397.db2.gz VFWBZUCOUWMFFH-UHFFFAOYSA-N -1 3 390.299 3.314 20 0 GGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C12CCC2 ZINC000516165764 566748527 /nfs/dbraw/zinc/74/85/27/566748527.db2.gz GZRLJPJVJOGLSM-ZIAGYGMSSA-N -1 3 384.548 3.416 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000451068611 566748770 /nfs/dbraw/zinc/74/87/70/566748770.db2.gz QQLCTACOIOQYPL-GFCCVEGCSA-N -1 3 380.413 3.180 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1Cl ZINC000451069302 566748888 /nfs/dbraw/zinc/74/88/88/566748888.db2.gz KZGIWXOJSNUIHL-QMMMGPOBSA-N -1 3 392.251 3.341 20 0 GGADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C12CCC2 ZINC000516165763 566749105 /nfs/dbraw/zinc/74/91/05/566749105.db2.gz GZRLJPJVJOGLSM-UONOGXRCSA-N -1 3 384.548 3.416 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c(C)c1F ZINC000451069932 566749313 /nfs/dbraw/zinc/74/93/13/566749313.db2.gz WBBCUHLETFXGCL-GFCCVEGCSA-N -1 3 398.403 3.490 20 0 GGADHM CC(C)N1C[C@@H](C)[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000541798568 566749732 /nfs/dbraw/zinc/74/97/32/566749732.db2.gz MENXCCOZGSDQFH-RISCZKNCSA-N -1 3 379.917 3.131 20 0 GGADHM Cn1cc(Br)c(=NC(=O)C2(c3cccc(Br)c3)CC2)[n-]1 ZINC000516182991 566750202 /nfs/dbraw/zinc/75/02/02/566750202.db2.gz CPRVFHSVFRJLPO-UHFFFAOYSA-N -1 3 399.086 3.037 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000541812574 566751395 /nfs/dbraw/zinc/75/13/95/566751395.db2.gz XJRRBHXDRWFJRF-VIFPVBQESA-N -1 3 399.925 3.072 20 0 GGADHM O=C(NCCCc1cccc(Br)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654762444 566751602 /nfs/dbraw/zinc/75/16/02/566751602.db2.gz YBSKDMBDZDTWRX-UHFFFAOYSA-N -1 3 376.254 3.185 20 0 GGADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1=O ZINC000581129617 566751864 /nfs/dbraw/zinc/75/18/64/566751864.db2.gz XTHCGZQDCWRFBB-NSHDSACASA-N -1 3 398.834 3.037 20 0 GGADHM CC1(C)CCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000427158497 566751849 /nfs/dbraw/zinc/75/18/49/566751849.db2.gz VLEWVFFPTDPUBV-ZDUSSCGKSA-N -1 3 393.336 3.357 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000427153481 566751901 /nfs/dbraw/zinc/75/19/01/566751901.db2.gz RLOLHSLKRYPQRC-MRVPVSSYSA-N -1 3 384.255 3.078 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cnc1C)c1ccccc1 ZINC000451086985 566751969 /nfs/dbraw/zinc/75/19/69/566751969.db2.gz NCPBWTZQLFKMDX-OAHLLOKOSA-N -1 3 385.283 3.282 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](C)C1 ZINC000488852521 566752050 /nfs/dbraw/zinc/75/20/50/566752050.db2.gz KQOFWFUNFZQFGP-NWDGAFQWSA-N -1 3 382.423 3.243 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000488854763 566752194 /nfs/dbraw/zinc/75/21/94/566752194.db2.gz OQDSLARKOGUDFY-UHFFFAOYSA-N -1 3 376.375 3.259 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000488854277 566752527 /nfs/dbraw/zinc/75/25/27/566752527.db2.gz GZBNNOFXHAKPBS-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c2cccnc12 ZINC000541824697 566752603 /nfs/dbraw/zinc/75/26/03/566752603.db2.gz DQGACZFDBHXDFJ-AWEZNQCLSA-N -1 3 376.400 3.499 20 0 GGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000427165953 566752847 /nfs/dbraw/zinc/75/28/47/566752847.db2.gz YWFLWHDBGXHPOJ-JTQLQIEISA-N -1 3 388.287 3.081 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCCC[C@@H]1C ZINC000488850994 566752925 /nfs/dbraw/zinc/75/29/25/566752925.db2.gz HKLADIHTXQRFQE-RYUDHWBXSA-N -1 3 382.423 3.386 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(OCC)ccc2Cl)cn1C ZINC000451089908 566754433 /nfs/dbraw/zinc/75/44/33/566754433.db2.gz FUAORMMDQUAELF-UHFFFAOYSA-N -1 3 386.857 3.055 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ncc(Br)cn1 ZINC000516234396 566755261 /nfs/dbraw/zinc/75/52/61/566755261.db2.gz ZBNAQUBEOVSJGZ-SECBINFHSA-N -1 3 382.239 3.025 20 0 GGADHM Cc1c(Br)cccc1CN1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000581195777 566756843 /nfs/dbraw/zinc/75/68/43/566756843.db2.gz HZXIJJVXXOHQOZ-RDJZCZTQSA-N -1 3 382.298 3.459 20 0 GGADHM CCc1c([N-]C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)onc1C(F)(F)F ZINC000516311200 566757489 /nfs/dbraw/zinc/75/74/89/566757489.db2.gz TYOYXTLUEBXZIP-VIFPVBQESA-N -1 3 379.404 3.142 20 0 GGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000562010441 566757595 /nfs/dbraw/zinc/75/75/95/566757595.db2.gz XSFCAUWWYALBEI-JTQLQIEISA-N -1 3 389.882 3.364 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000469060619 566757854 /nfs/dbraw/zinc/75/78/54/566757854.db2.gz VLWOXVSHWQJBRE-CQSZACIVSA-N -1 3 383.897 3.275 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000451103315 566758177 /nfs/dbraw/zinc/75/81/77/566758177.db2.gz BJFVVPMRAGOMOV-STQMWFEESA-N -1 3 399.818 3.131 20 0 GGADHM COc1ccccc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488935336 566758230 /nfs/dbraw/zinc/75/82/30/566758230.db2.gz BULDYKOTQIKCGA-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM O=C(C[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)Nc1ccc(Cl)cc1 ZINC000451105312 566758375 /nfs/dbraw/zinc/75/83/75/566758375.db2.gz MBHFZTDNJHBKSU-UHFFFAOYSA-N -1 3 398.834 3.319 20 0 GGADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)Nc1ccc(Cl)cc1 ZINC000451103160 566758530 /nfs/dbraw/zinc/75/85/30/566758530.db2.gz GOJTVRUYTUKZPM-NSHDSACASA-N -1 3 380.844 3.023 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000451103313 566758821 /nfs/dbraw/zinc/75/88/21/566758821.db2.gz BJFVVPMRAGOMOV-OLZOCXBDSA-N -1 3 399.818 3.131 20 0 GGADHM Cc1nccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000469088259 566760158 /nfs/dbraw/zinc/76/01/58/566760158.db2.gz WDWAFPJJRBMUHR-UHFFFAOYSA-N -1 3 381.885 3.096 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000427255060 566760502 /nfs/dbraw/zinc/76/05/02/566760502.db2.gz DHXPYEHNONFYHL-NEPJUHHUSA-N -1 3 379.345 3.187 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2cc(F)c(C(F)(F)F)cc2F)[n-]1 ZINC000488961125 566760711 /nfs/dbraw/zinc/76/07/11/566760711.db2.gz FVENHVJUNVVJNE-UHFFFAOYSA-N -1 3 383.342 3.373 20 0 GGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)n1 ZINC000581258261 566761749 /nfs/dbraw/zinc/76/17/49/566761749.db2.gz DVKHRSZKNOXNKP-UHFFFAOYSA-N -1 3 384.508 3.085 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000427282018 566762462 /nfs/dbraw/zinc/76/24/62/566762462.db2.gz CPZSMIPQRCFYCD-OWWKKJFISA-N -1 3 398.575 3.168 20 0 GGADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000562069711 566762466 /nfs/dbraw/zinc/76/24/66/566762466.db2.gz DZUAPUXHHIPVSW-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000516428815 566763162 /nfs/dbraw/zinc/76/31/62/566763162.db2.gz BQFRJYMUWONEKJ-ZYHUDNBSSA-N -1 3 383.853 3.322 20 0 GGADHM O=c1[nH]c2ccccc2n1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000427276937 566763117 /nfs/dbraw/zinc/76/31/17/566763117.db2.gz VWVFVQAFILZNDD-UHFFFAOYSA-N -1 3 386.260 3.027 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1Cl ZINC000489002396 566763379 /nfs/dbraw/zinc/76/33/79/566763379.db2.gz RINQIKVTDIYBDM-UHFFFAOYSA-N -1 3 382.888 3.422 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000427284491 566763758 /nfs/dbraw/zinc/76/37/58/566763758.db2.gz NBMCHEFYCGALRI-OLZOCXBDSA-N -1 3 379.345 3.187 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000469127985 566764059 /nfs/dbraw/zinc/76/40/59/566764059.db2.gz PTPSRYPTYGXWRD-JSGCOSHPSA-N -1 3 393.958 3.318 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C(F)(F)F)cc2)cn1C ZINC000469136268 566764145 /nfs/dbraw/zinc/76/41/45/566764145.db2.gz QQFMWVYYZMKFBH-UHFFFAOYSA-N -1 3 375.416 3.003 20 0 GGADHM CCOc1c(OC)cc(C[N-]S(=O)(=O)c2sccc2Cl)cc1OC ZINC000451137472 566764502 /nfs/dbraw/zinc/76/45/02/566764502.db2.gz UUPYVZGPLKSVIV-UHFFFAOYSA-N -1 3 391.898 3.296 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)c(Cl)c1 ZINC000451136602 566764609 /nfs/dbraw/zinc/76/46/09/566764609.db2.gz GAZHOGRPMONKIC-GFCCVEGCSA-N -1 3 394.871 3.332 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000469133761 566764708 /nfs/dbraw/zinc/76/47/08/566764708.db2.gz UMQXKCPKPZZFRB-QWHCGFSZSA-N -1 3 393.933 3.236 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000469128242 566764991 /nfs/dbraw/zinc/76/49/91/566764991.db2.gz PTPSRYPTYGXWRD-OCCSQVGLSA-N -1 3 393.958 3.318 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000451154449 566765956 /nfs/dbraw/zinc/76/59/56/566765956.db2.gz LEKXQQVCMNVLKZ-AWEZNQCLSA-N -1 3 378.479 3.177 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2Br)cnc1C ZINC000427318150 566766370 /nfs/dbraw/zinc/76/63/70/566766370.db2.gz ZXZJUQHTZMOPHJ-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000427306694 566766398 /nfs/dbraw/zinc/76/63/98/566766398.db2.gz CJJTWSVTLRVPSV-UHFFFAOYSA-N -1 3 375.855 3.135 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000451155949 566767321 /nfs/dbraw/zinc/76/73/21/566767321.db2.gz QFMJPXPQLQZGLS-AWEZNQCLSA-N -1 3 378.479 3.177 20 0 GGADHM Cc1occc1C(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000609488714 566767285 /nfs/dbraw/zinc/76/72/85/566767285.db2.gz ODPJBIPZUAYMOS-UHFFFAOYSA-N -1 3 393.184 3.257 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)CCCCC1 ZINC000427348356 566769106 /nfs/dbraw/zinc/76/91/06/566769106.db2.gz WCIDJEFLHUMNIF-UHFFFAOYSA-N -1 3 381.828 3.483 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CC(C(F)F)C1 ZINC000677915674 566769220 /nfs/dbraw/zinc/76/92/20/566769220.db2.gz LNBFMTVAOBDECS-UHFFFAOYSA-N -1 3 392.493 3.086 20 0 GGADHM COc1cc(C(=O)N2CCc3sc(Br)cc3C2)cc(OC)c1[O-] ZINC000677921781 566769593 /nfs/dbraw/zinc/76/95/93/566769593.db2.gz HEGYEWXUZDDJIE-UHFFFAOYSA-N -1 3 398.278 3.432 20 0 GGADHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469194502 566770412 /nfs/dbraw/zinc/77/04/12/566770412.db2.gz JMUBBPZDAYHSSB-ROUUACIJSA-N -1 3 387.929 3.348 20 0 GGADHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469197537 566771023 /nfs/dbraw/zinc/77/10/23/566771023.db2.gz AZADXOMRVDYEKM-WFASDCNBSA-N -1 3 375.918 3.204 20 0 GGADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655072220 566776057 /nfs/dbraw/zinc/77/60/57/566776057.db2.gz IGHHARDCQAKAQX-ZDUSSCGKSA-N -1 3 382.247 3.220 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OC(C)C ZINC000451204319 566776767 /nfs/dbraw/zinc/77/67/67/566776767.db2.gz WKVXSLHCJKGUBM-RUXDESIVSA-N -1 3 387.464 3.393 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542141635 566777133 /nfs/dbraw/zinc/77/71/33/566777133.db2.gz QQAXUEATXOUTME-UHFFFAOYSA-N -1 3 382.295 3.055 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1C ZINC000451207590 566777208 /nfs/dbraw/zinc/77/72/08/566777208.db2.gz LAEHJWUWMKXGHL-JSGCOSHPSA-N -1 3 381.416 3.168 20 0 GGADHM O=C(NC1(C(F)(F)F)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000655094565 566778217 /nfs/dbraw/zinc/77/82/17/566778217.db2.gz JLJGQWYHJMRGDQ-UHFFFAOYSA-N -1 3 375.144 3.115 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)c1cccc(C)c1 ZINC000451221234 566778763 /nfs/dbraw/zinc/77/87/63/566778763.db2.gz XGQLYXDMWBFIHQ-ZDUSSCGKSA-N -1 3 381.416 3.034 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)c1cccc(C)c1 ZINC000451221233 566779150 /nfs/dbraw/zinc/77/91/50/566779150.db2.gz XGQLYXDMWBFIHQ-CYBMUJFWSA-N -1 3 381.416 3.034 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)OC ZINC000542175163 566779951 /nfs/dbraw/zinc/77/99/51/566779951.db2.gz KXMQZWRLKMJQBT-ZDUSSCGKSA-N -1 3 398.706 3.113 20 0 GGADHM CCCCC1CCC(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CC1 ZINC000516716258 566780625 /nfs/dbraw/zinc/78/06/25/566780625.db2.gz HILFUGIAOWLYCG-UHFFFAOYSA-N -1 3 387.571 3.204 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)C1 ZINC000469312656 566780784 /nfs/dbraw/zinc/78/07/84/566780784.db2.gz IWADKLDTGXSVLD-HUUCEWRRSA-N -1 3 391.530 3.194 20 0 GGADHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469330009 566781860 /nfs/dbraw/zinc/78/18/60/566781860.db2.gz PEFDSIJZFCUGRW-OAHLLOKOSA-N -1 3 375.918 3.204 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c(C)c1 ZINC000609730547 566781916 /nfs/dbraw/zinc/78/19/16/566781916.db2.gz RVKXHXITMIQDET-DEOSSOPVSA-N -1 3 381.519 3.300 20 0 GGADHM CC(C)CCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542215356 566782599 /nfs/dbraw/zinc/78/25/99/566782599.db2.gz BJZKCNDHLPBOBM-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C)c1ccc(Cl)cc1 ZINC000562347285 566782624 /nfs/dbraw/zinc/78/26/24/566782624.db2.gz WUIUJRXZESWOGB-MRXNPFEDSA-N -1 3 385.917 3.400 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489345060 566782742 /nfs/dbraw/zinc/78/27/42/566782742.db2.gz BRZMRAJZSZPMFV-NWDGAFQWSA-N -1 3 378.947 3.107 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000609761126 566782836 /nfs/dbraw/zinc/78/28/36/566782836.db2.gz DXLBSXVPOITCHA-QHCPKHFHSA-N -1 3 385.894 3.050 20 0 GGADHM O=C(NCc1cc(Cl)ccc1Br)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655156572 566782770 /nfs/dbraw/zinc/78/27/70/566782770.db2.gz LMIODMBGZVVTAQ-UHFFFAOYSA-N -1 3 382.645 3.406 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000516785833 566782909 /nfs/dbraw/zinc/78/29/09/566782909.db2.gz XNMOVFVEEWESOX-UHFFFAOYSA-N -1 3 398.294 3.079 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)cc1 ZINC000609761457 566783370 /nfs/dbraw/zinc/78/33/70/566783370.db2.gz PESSBXYNDBQKIY-HSZRJFAPSA-N -1 3 385.894 3.222 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000562347196 566783316 /nfs/dbraw/zinc/78/33/16/566783316.db2.gz PTEPGKPULMXWDB-RDTXWAMCSA-N -1 3 381.881 3.405 20 0 GGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469360387 566784544 /nfs/dbraw/zinc/78/45/44/566784544.db2.gz IKFCBVXLYMGCSB-YPMHNXCESA-N -1 3 381.947 3.174 20 0 GGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469360381 566784956 /nfs/dbraw/zinc/78/49/56/566784956.db2.gz IKFCBVXLYMGCSB-DGCLKSJQSA-N -1 3 381.947 3.174 20 0 GGADHM CSc1nsc([N-]C(=O)c2cc(F)ccc2I)n1 ZINC000610115541 566807690 /nfs/dbraw/zinc/80/76/90/566807690.db2.gz INSXEYNLNFPFHC-UHFFFAOYSA-N -1 3 395.222 3.256 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000451266732 566785752 /nfs/dbraw/zinc/78/57/52/566785752.db2.gz ZPQJTUDDUZUZCO-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000469405911 566787127 /nfs/dbraw/zinc/78/71/27/566787127.db2.gz MHZVYSMGWGQQNY-CYBMUJFWSA-N -1 3 393.456 3.052 20 0 GGADHM C[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1cccc(Br)c1 ZINC000581557555 566787935 /nfs/dbraw/zinc/78/79/35/566787935.db2.gz NUIALESSHVCRJS-SNVBAGLBSA-N -1 3 392.253 3.019 20 0 GGADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427676086 566787985 /nfs/dbraw/zinc/78/79/85/566787985.db2.gz DAZKAYDIGRTJCO-MRVPVSSYSA-N -1 3 384.230 3.186 20 0 GGADHM CC(=O)Nc1nc(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)cs1 ZINC000427674511 566788705 /nfs/dbraw/zinc/78/87/05/566788705.db2.gz PSUZOPWRCWMSEL-UHFFFAOYSA-N -1 3 397.210 3.364 20 0 GGADHM COc1cc(Br)ccc1CCC[N-]S(=O)(=O)c1cccs1 ZINC000542252473 566788704 /nfs/dbraw/zinc/78/87/04/566788704.db2.gz IWTMJEKDYJDCIA-UHFFFAOYSA-N -1 3 390.324 3.430 20 0 GGADHM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427676087 566788913 /nfs/dbraw/zinc/78/89/13/566788913.db2.gz DAZKAYDIGRTJCO-QMMMGPOBSA-N -1 3 384.230 3.186 20 0 GGADHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000469409853 566788994 /nfs/dbraw/zinc/78/89/94/566788994.db2.gz JZXXFMHLFSZSBT-ZDUSSCGKSA-N -1 3 386.583 3.310 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000581577053 566790201 /nfs/dbraw/zinc/79/02/01/566790201.db2.gz JUSPVSNPHXWGPE-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM NC(=O)CCSc1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000562442816 566791305 /nfs/dbraw/zinc/79/13/05/566791305.db2.gz KMGPIQLAONWZPR-UHFFFAOYSA-N -1 3 384.910 3.249 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(Cl)cc1Br ZINC000542298885 566792212 /nfs/dbraw/zinc/79/22/12/566792212.db2.gz RBIXNYNYUIHGCE-CYBMUJFWSA-N -1 3 396.734 3.322 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000542315117 566793240 /nfs/dbraw/zinc/79/32/40/566793240.db2.gz ABGUUDURIKEGII-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(CC)CC)c(Br)c1 ZINC000489535308 566793097 /nfs/dbraw/zinc/79/30/97/566793097.db2.gz BVDXJPCZKBIBKG-UHFFFAOYSA-N -1 3 378.288 3.093 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@H]1C1CC1 ZINC000542315403 566793934 /nfs/dbraw/zinc/79/39/34/566793934.db2.gz FGVXGJBINHYABS-UONOGXRCSA-N -1 3 394.718 3.338 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCOCC1 ZINC000489544369 566794776 /nfs/dbraw/zinc/79/47/76/566794776.db2.gz SMPNLANERFZLSL-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489540413 566795150 /nfs/dbraw/zinc/79/51/50/566795150.db2.gz IDQPLPMTTRWBPC-SNVBAGLBSA-N -1 3 378.347 3.029 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489540283 566795440 /nfs/dbraw/zinc/79/54/40/566795440.db2.gz IDQPLPMTTRWBPC-JTQLQIEISA-N -1 3 378.347 3.029 20 0 GGADHM CN(C)C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])c2ccccc2O1 ZINC000678317584 566795472 /nfs/dbraw/zinc/79/54/72/566795472.db2.gz OOVXLVHDODZRLE-GFCCVEGCSA-N -1 3 391.265 3.124 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)c1 ZINC000678357328 566796244 /nfs/dbraw/zinc/79/62/44/566796244.db2.gz IRTLBKQKHSSLMT-NSHDSACASA-N -1 3 385.283 3.201 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCOC3)C2)c1Cl ZINC000678358975 566796626 /nfs/dbraw/zinc/79/66/26/566796626.db2.gz QEJYLEWUQSIJJK-BLLLJJGKSA-N -1 3 394.320 3.227 20 0 GGADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000678359039 566796648 /nfs/dbraw/zinc/79/66/48/566796648.db2.gz URLLFIFIPBHFBA-UHFFFAOYSA-N -1 3 382.747 3.269 20 0 GGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000562494800 566796750 /nfs/dbraw/zinc/79/67/50/566796750.db2.gz XBBLEJOGAOIHRS-MRXNPFEDSA-N -1 3 388.555 3.182 20 0 GGADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])nnn1CC1CCCC1 ZINC000562497354 566796829 /nfs/dbraw/zinc/79/68/29/566796829.db2.gz GMBKHIXEPOMOCH-UHFFFAOYSA-N -1 3 379.258 3.497 20 0 GGADHM C[C@@H](CNCc1cccc([O-])c1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000631270249 566796914 /nfs/dbraw/zinc/79/69/14/566796914.db2.gz OZXRZXIOUXMPKY-LBPRGKRZSA-N -1 3 398.322 3.452 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[n-]1 ZINC000516972140 566797106 /nfs/dbraw/zinc/79/71/06/566797106.db2.gz UCAYQASSHKPBJF-WDEREUQCSA-N -1 3 399.086 3.109 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)sc1C ZINC000489596070 566797683 /nfs/dbraw/zinc/79/76/83/566797683.db2.gz BMKRBNNJVHWZKO-UHFFFAOYSA-N -1 3 384.376 3.276 20 0 GGADHM O=C(Nc1cncc(Br)c1)c1c[n-]nc1-c1ccc2c(c1)OCO2 ZINC000542383927 566797658 /nfs/dbraw/zinc/79/76/58/566797658.db2.gz DZXPMVDQHSKOOZ-UHFFFAOYSA-N -1 3 387.193 3.215 20 0 GGADHM Cc1cccc(-c2cnc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)s2)c1 ZINC000516988545 566797889 /nfs/dbraw/zinc/79/78/89/566797889.db2.gz XYHWSXZZIIWIAK-CQSZACIVSA-N -1 3 381.523 3.021 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000610005852 566798816 /nfs/dbraw/zinc/79/88/16/566798816.db2.gz HMHDEXQFAYJJKP-HOCLYGCPSA-N -1 3 379.503 3.224 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000610005851 566798829 /nfs/dbraw/zinc/79/88/29/566798829.db2.gz HMHDEXQFAYJJKP-GOEBONIOSA-N -1 3 379.503 3.224 20 0 GGADHM CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Cc1cncc([O-])c1 ZINC000655394409 566798879 /nfs/dbraw/zinc/79/88/79/566798879.db2.gz DULZTXSUOUKXGH-CQSZACIVSA-N -1 3 375.266 3.456 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000610005809 566799228 /nfs/dbraw/zinc/79/92/28/566799228.db2.gz CSTWCGRFQIFGRA-GJZGRUSLSA-N -1 3 379.503 3.224 20 0 GGADHM C[C@@H]1C[C@H](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000542429936 566800182 /nfs/dbraw/zinc/80/01/82/566800182.db2.gz ZHWJVXOOBKFTNZ-VXGBXAGGSA-N -1 3 393.281 3.226 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000489658942 566801372 /nfs/dbraw/zinc/80/13/72/566801372.db2.gz MGYSHUXNZCFMIE-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000489665048 566801762 /nfs/dbraw/zinc/80/17/62/566801762.db2.gz LEHFGXDOFJOWLC-UHFFFAOYSA-N -1 3 381.828 3.373 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1cncc(F)c1 ZINC000489663913 566801995 /nfs/dbraw/zinc/80/19/95/566801995.db2.gz IXJKPCNFBJIBCY-MRVPVSSYSA-N -1 3 382.310 3.298 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)c1F ZINC000655470879 566802008 /nfs/dbraw/zinc/80/20/08/566802008.db2.gz SGYWUURVMDHDDQ-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)COc2ccc(F)cc2F)c1 ZINC000489681472 566802292 /nfs/dbraw/zinc/80/22/92/566802292.db2.gz SXUTWNUILVHHAR-JTQLQIEISA-N -1 3 391.823 3.373 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000517052579 566802705 /nfs/dbraw/zinc/80/27/05/566802705.db2.gz FJJGXPWCKULZOD-PSLIRLAXSA-N -1 3 386.242 3.389 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C=C[C@@H]4CCOC4)n3)[n-]2)c1 ZINC000562563111 566802991 /nfs/dbraw/zinc/80/29/91/566802991.db2.gz IUHNBQKHGRUQKK-UMCURTJPSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C=C[C@@H]4CCOC4)n3)n2)c1 ZINC000562563111 566802995 /nfs/dbraw/zinc/80/29/95/566802995.db2.gz IUHNBQKHGRUQKK-UMCURTJPSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C=C[C@@H]4CCOC4)n3)n[n-]2)c1 ZINC000562563111 566803000 /nfs/dbraw/zinc/80/30/00/566803000.db2.gz IUHNBQKHGRUQKK-UMCURTJPSA-N -1 3 388.225 3.334 20 0 GGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542464582 566803058 /nfs/dbraw/zinc/80/30/58/566803058.db2.gz KIIXRNHPPRGZDK-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000581736744 566803631 /nfs/dbraw/zinc/80/36/31/566803631.db2.gz HDTWNVTUJALCSF-QWHCGFSZSA-N -1 3 391.320 3.205 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCCC1 ZINC000542466355 566803619 /nfs/dbraw/zinc/80/36/19/566803619.db2.gz CRKFWQWATVGMEA-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM COc1cncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000542466128 566803927 /nfs/dbraw/zinc/80/39/27/566803927.db2.gz HCJKMEKDWKZZDG-AWEZNQCLSA-N -1 3 378.347 3.201 20 0 GGADHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000542466165 566803990 /nfs/dbraw/zinc/80/39/90/566803990.db2.gz HRMUFKVQUWCJGO-IUCAKERBSA-N -1 3 382.707 3.337 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000542467208 566804124 /nfs/dbraw/zinc/80/41/24/566804124.db2.gz SCOQOTXXTWSVLX-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000581754330 566805387 /nfs/dbraw/zinc/80/53/87/566805387.db2.gz LONKFBRABPZZPR-SJORKVTESA-N -1 3 386.300 3.438 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1ccc(F)cc1Br ZINC000489709908 566805389 /nfs/dbraw/zinc/80/53/89/566805389.db2.gz ZKALHPFZRZKYHV-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM O=S(=O)([N-][C@@H]1CCSC1)c1cc(C(F)(F)F)ccc1Br ZINC000542485276 566805475 /nfs/dbraw/zinc/80/54/75/566805475.db2.gz LTKDNKAZWIJLKQ-MRVPVSSYSA-N -1 3 390.246 3.252 20 0 GGADHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451370383 566805428 /nfs/dbraw/zinc/80/54/28/566805428.db2.gz CPLGOGVVFQOLFE-UHFFFAOYSA-N -1 3 399.925 3.338 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(F)c(F)c1 ZINC000451370059 566805652 /nfs/dbraw/zinc/80/56/52/566805652.db2.gz BYGUECNPGIGCKR-WFASDCNBSA-N -1 3 383.407 3.397 20 0 GGADHM CCc1[nH]nc(C(=O)Nc2ccc(Br)cc2[O-])c1Br ZINC000562600589 566805810 /nfs/dbraw/zinc/80/58/10/566805810.db2.gz YHVVQXLNEJLLDE-UHFFFAOYSA-N -1 3 389.047 3.455 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1cc(Br)ccc1F ZINC000489733233 566806925 /nfs/dbraw/zinc/80/69/25/566806925.db2.gz KOHZRJDEQKDEJI-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)N(C)Cc2ccccc2)c1 ZINC000489732893 566807184 /nfs/dbraw/zinc/80/71/84/566807184.db2.gz IOFHFJKTROPOCX-AWEZNQCLSA-N -1 3 382.913 3.147 20 0 GGADHM C[C@@H](Cc1cccs1)N(Cc1nc(=O)n(C)[n-]1)Cc1ccc(Cl)cc1 ZINC000542505941 566807335 /nfs/dbraw/zinc/80/73/35/566807335.db2.gz DUFGCFDNULTLAO-ZDUSSCGKSA-N -1 3 376.913 3.457 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCN2c3ccccc3C[C@@H]2C)c1 ZINC000489763430 566808131 /nfs/dbraw/zinc/80/81/31/566808131.db2.gz FTNTZRQGAAKGBQ-ZDUSSCGKSA-N -1 3 380.897 3.078 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000678621810 566808630 /nfs/dbraw/zinc/80/86/30/566808630.db2.gz SCMICJGZITUVIX-OAHLLOKOSA-N -1 3 379.787 3.423 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc3cccnc32)c1 ZINC000489761648 566808766 /nfs/dbraw/zinc/80/87/66/566808766.db2.gz AZHGQPOUYNYPLL-UHFFFAOYSA-N -1 3 376.865 3.418 20 0 GGADHM O=C(N=c1cc(-c2ccc(I)cc2)[n-][nH]1)C1CC=CC1 ZINC000610130131 566808857 /nfs/dbraw/zinc/80/88/57/566808857.db2.gz UWSKVEIAENVLNJ-UHFFFAOYSA-N -1 3 379.201 3.008 20 0 GGADHM CCn1c2ccc(Br)cc2nc1[N-]S(=O)(=O)CCCCF ZINC000581847320 566808925 /nfs/dbraw/zinc/80/89/25/566808925.db2.gz FERBELWZBNFZNF-UHFFFAOYSA-N -1 3 378.267 3.310 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000562634079 566809067 /nfs/dbraw/zinc/80/90/67/566809067.db2.gz VGEKFLQDYLQNAZ-RHSMWYFYSA-N -1 3 391.265 3.129 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1cc(F)ccc1F ZINC000610136038 566810558 /nfs/dbraw/zinc/81/05/58/566810558.db2.gz HRRGNTWMNVZQKO-ZDUSSCGKSA-N -1 3 375.418 3.243 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1c(C)cccc1C ZINC000451398484 566810989 /nfs/dbraw/zinc/81/09/89/566810989.db2.gz JNCOUCHNFGHUKC-QWHCGFSZSA-N -1 3 381.416 3.168 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000581895710 566813433 /nfs/dbraw/zinc/81/34/33/566813433.db2.gz NKNCZLMMXJAGBI-NWDGAFQWSA-N -1 3 391.320 3.205 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)c(Br)cc1F ZINC000610194231 566813565 /nfs/dbraw/zinc/81/35/65/566813565.db2.gz UMHFTEHAKJXICI-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)ccc1[O-] ZINC000428062069 566814523 /nfs/dbraw/zinc/81/45/23/566814523.db2.gz UXLXZNPOLUETIC-HNNXBMFYSA-N -1 3 375.266 3.472 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)no1 ZINC000451411032 566814479 /nfs/dbraw/zinc/81/44/79/566814479.db2.gz DKVZOWGRFOWASS-UHFFFAOYSA-N -1 3 390.864 3.402 20 0 GGADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1=O ZINC000517232577 566814781 /nfs/dbraw/zinc/81/47/81/566814781.db2.gz DDNFQUHSYCHOMB-LLVKDONJSA-N -1 3 398.834 3.037 20 0 GGADHM Cc1ccc(Cl)c2sc(NC(=O)CNC(=O)c3ccc([O-])cc3)nc21 ZINC000517255941 566815760 /nfs/dbraw/zinc/81/57/60/566815760.db2.gz CMXFKPRHFHEWPV-UHFFFAOYSA-N -1 3 375.837 3.332 20 0 GGADHM O=C([O-])c1cn(C2CCN(CCCc3ccccc3Br)CC2)nn1 ZINC000517247226 566815780 /nfs/dbraw/zinc/81/57/80/566815780.db2.gz QKPYYJXOEHGXIQ-UHFFFAOYSA-N -1 3 393.285 3.009 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)c[n-]1 ZINC000489902808 566816054 /nfs/dbraw/zinc/81/60/54/566816054.db2.gz CBQQUFVRHUHBDB-UHFFFAOYSA-N -1 3 389.209 3.002 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)c1F ZINC000655586389 566818214 /nfs/dbraw/zinc/81/82/14/566818214.db2.gz SNFVPPZPXBJZGU-AWEZNQCLSA-N -1 3 386.876 3.069 20 0 GGADHM COc1cc(Br)c(CS(=O)(=O)c2cccc([O-])c2)cc1OC ZINC000542690798 566818578 /nfs/dbraw/zinc/81/85/78/566818578.db2.gz LVZLPMNPPCZOML-UHFFFAOYSA-N -1 3 387.251 3.146 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000610241393 566818736 /nfs/dbraw/zinc/81/87/36/566818736.db2.gz FCIRTVPDFYTWCH-UHFFFAOYSA-N -1 3 382.482 3.378 20 0 GGADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(Br)s1 ZINC000451449328 566820444 /nfs/dbraw/zinc/82/04/44/566820444.db2.gz XBYBYGCXIZQAOT-SECBINFHSA-N -1 3 391.312 3.344 20 0 GGADHM COc1cccc([C@H](CNC(=O)c2cccc(Br)c2[O-])N(C)C)c1 ZINC000517348490 566821169 /nfs/dbraw/zinc/82/11/69/566821169.db2.gz JYVXZESRWMEGFQ-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCOCC1 ZINC000489988928 566821544 /nfs/dbraw/zinc/82/15/44/566821544.db2.gz GFPSQCKVROHDQN-UHFFFAOYSA-N -1 3 383.897 3.215 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2occc21)c1cc(Br)cc2c1OCC2 ZINC000542750275 566823098 /nfs/dbraw/zinc/82/30/98/566823098.db2.gz FRWKIGSUDNCZFF-CYBMUJFWSA-N -1 3 398.278 3.333 20 0 GGADHM C[C@@]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)(C(N)=O)c1ccccc1 ZINC000469874292 566823150 /nfs/dbraw/zinc/82/31/50/566823150.db2.gz HLIDNQPNTPTPFW-KRWDZBQOSA-N -1 3 394.905 3.234 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489998808 566823290 /nfs/dbraw/zinc/82/32/90/566823290.db2.gz ORKPJRJDUOCKHV-NSHDSACASA-N -1 3 379.400 3.106 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1ccc2ccccc2c1F ZINC000451470259 566823779 /nfs/dbraw/zinc/82/37/79/566823779.db2.gz NETTUJIUPPAIRF-UHFFFAOYSA-N -1 3 383.338 3.174 20 0 GGADHM C[C@]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)(C(N)=O)c1ccccc1 ZINC000469874294 566824001 /nfs/dbraw/zinc/82/40/01/566824001.db2.gz HLIDNQPNTPTPFW-QGZVFWFLSA-N -1 3 394.905 3.234 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1C ZINC000542754105 566824238 /nfs/dbraw/zinc/82/42/38/566824238.db2.gz UGFVKDWNYIEICI-ZDUSSCGKSA-N -1 3 384.420 3.064 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2occc21)c1cc(Br)cc2c1OCC2 ZINC000542750276 566824324 /nfs/dbraw/zinc/82/43/24/566824324.db2.gz FRWKIGSUDNCZFF-ZDUSSCGKSA-N -1 3 398.278 3.333 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000490011015 566824536 /nfs/dbraw/zinc/82/45/36/566824536.db2.gz JHQNHNOTMLTRBW-NSHDSACASA-N -1 3 381.466 3.337 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)cc1OC ZINC000490018928 566824665 /nfs/dbraw/zinc/82/46/65/566824665.db2.gz SAQLCFDVMFQPKG-NSHDSACASA-N -1 3 381.416 3.337 20 0 GGADHM CC(C)(C)C(=O)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469892614 566824726 /nfs/dbraw/zinc/82/47/26/566824726.db2.gz JPTCLEWATMZVQC-UHFFFAOYSA-N -1 3 399.672 3.289 20 0 GGADHM CC(C)(C)C(=O)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469892614 566824728 /nfs/dbraw/zinc/82/47/28/566824728.db2.gz JPTCLEWATMZVQC-UHFFFAOYSA-N -1 3 399.672 3.289 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)cc2c1OCC2)c1cc(F)c(F)c(F)c1 ZINC000542759082 566825320 /nfs/dbraw/zinc/82/53/20/566825320.db2.gz NZMLKSBPGAQMSY-UHFFFAOYSA-N -1 3 377.771 3.171 20 0 GGADHM Cc1c(S(=O)(=O)[N-]CC2CC(F)(F)C2)cnn1-c1ccc(Cl)cc1 ZINC000490023773 566826360 /nfs/dbraw/zinc/82/63/60/566826360.db2.gz IYRZSPSVIAWQSW-UHFFFAOYSA-N -1 3 375.828 3.158 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000451490842 566826544 /nfs/dbraw/zinc/82/65/44/566826544.db2.gz BCDHSBAJGYMTAU-MFKMUULPSA-N -1 3 399.456 3.273 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000451495469 566826998 /nfs/dbraw/zinc/82/69/98/566826998.db2.gz BCDHSBAJGYMTAU-GWCFXTLKSA-N -1 3 399.456 3.273 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)CCCC(C)(C)C)C(=O)Nc1nccs1 ZINC000517438975 566827166 /nfs/dbraw/zinc/82/71/66/566827166.db2.gz NYKLRWVVUZECJL-ZDUSSCGKSA-N -1 3 375.560 3.242 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451492230 566827182 /nfs/dbraw/zinc/82/71/82/566827182.db2.gz CNSATISGJQBPJN-UHFFFAOYSA-N -1 3 384.914 3.380 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428241515 566827379 /nfs/dbraw/zinc/82/73/79/566827379.db2.gz KKYBLGZAUGADPG-UWVGGRQHSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)c(Cl)c1Cl ZINC000655651407 566827485 /nfs/dbraw/zinc/82/74/85/566827485.db2.gz ODKUBRLXAYLGTM-JTQLQIEISA-N -1 3 375.277 3.307 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2Cl)c[nH]1 ZINC000678946652 566827766 /nfs/dbraw/zinc/82/77/66/566827766.db2.gz QLXHXOHMMVRIGX-UHFFFAOYSA-N -1 3 392.308 3.335 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000610388293 566828214 /nfs/dbraw/zinc/82/82/14/566828214.db2.gz VNKCSXRSRIWWFU-SSDOTTSWSA-N -1 3 386.271 3.461 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000610388293 566828220 /nfs/dbraw/zinc/82/82/20/566828220.db2.gz VNKCSXRSRIWWFU-SSDOTTSWSA-N -1 3 386.271 3.461 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000517496264 566829147 /nfs/dbraw/zinc/82/91/47/566829147.db2.gz DIGXNTXJEQAGQB-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cscc2Br)cs1 ZINC000631881556 566830014 /nfs/dbraw/zinc/83/00/14/566830014.db2.gz CKXYKSJRLWNZOZ-UHFFFAOYSA-N -1 3 381.342 3.051 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000562904476 566831454 /nfs/dbraw/zinc/83/14/54/566831454.db2.gz DYUYCMJGINAUIB-RHSMWYFYSA-N -1 3 386.300 3.438 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1(CO)CCC1 ZINC000490124091 566831677 /nfs/dbraw/zinc/83/16/77/566831677.db2.gz ARWWWBYNRAATLX-AWEZNQCLSA-N -1 3 394.306 3.054 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)s1 ZINC000490107037 566831692 /nfs/dbraw/zinc/83/16/92/566831692.db2.gz VQPCAMRGVDVXHZ-GFCCVEGCSA-N -1 3 396.372 3.285 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)s1 ZINC000490107040 566831821 /nfs/dbraw/zinc/83/18/21/566831821.db2.gz VQPCAMRGVDVXHZ-LBPRGKRZSA-N -1 3 396.372 3.285 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000562904467 566832411 /nfs/dbraw/zinc/83/24/11/566832411.db2.gz DYUYCMJGINAUIB-PBHICJAKSA-N -1 3 386.300 3.438 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)s1 ZINC000655669356 566833575 /nfs/dbraw/zinc/83/35/75/566833575.db2.gz OVFXVLKWDPRLKG-STQMWFEESA-N -1 3 393.372 3.114 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN2CCCC[C@H]12)c1cc(Cl)ccc1OC(F)F ZINC000655666792 566833815 /nfs/dbraw/zinc/83/38/15/566833815.db2.gz AJNCTLCCEUJVLA-CHWSQXEVSA-N -1 3 394.871 3.237 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2c(F)cccc2Cl)c1F ZINC000542874226 566834374 /nfs/dbraw/zinc/83/43/74/566834374.db2.gz FNXGDCKFODYLIO-LBPRGKRZSA-N -1 3 389.851 3.056 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)o1 ZINC000582157774 566834483 /nfs/dbraw/zinc/83/44/83/566834483.db2.gz XNRPQNPCSVCGCV-SNVBAGLBSA-N -1 3 384.885 3.391 20 0 GGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000517588670 566834673 /nfs/dbraw/zinc/83/46/73/566834673.db2.gz OWBXHLSXUXPBLT-QMMMGPOBSA-N -1 3 386.308 3.017 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000451546350 566835081 /nfs/dbraw/zinc/83/50/81/566835081.db2.gz IYZPDQWCDHBNNN-UHFFFAOYSA-N -1 3 392.706 3.045 20 0 GGADHM CO[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(C)C ZINC000562932217 566835158 /nfs/dbraw/zinc/83/51/58/566835158.db2.gz ODENAEMHGDKMBJ-MRXNPFEDSA-N -1 3 393.281 3.178 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000451545133 566836064 /nfs/dbraw/zinc/83/60/64/566836064.db2.gz GJNWBLUFUBGVEH-UHFFFAOYSA-N -1 3 392.706 3.045 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)cc(Cl)c1 ZINC000428380198 566836499 /nfs/dbraw/zinc/83/64/99/566836499.db2.gz BTSPVWXCCGHRHU-SJORKVTESA-N -1 3 387.835 3.063 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000428376407 566836678 /nfs/dbraw/zinc/83/66/78/566836678.db2.gz SJWXGAUSWJZRPM-CHWSQXEVSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)n1ccc(C(F)(F)F)n1 ZINC000631946624 566836823 /nfs/dbraw/zinc/83/68/23/566836823.db2.gz FXOHOBXMUQULMB-QMMMGPOBSA-N -1 3 392.175 3.247 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ncc[nH]1 ZINC000451549215 566837324 /nfs/dbraw/zinc/83/73/24/566837324.db2.gz PEVTWXLMLWXXTM-LBPRGKRZSA-N -1 3 394.241 3.126 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CC[C@H](C)C2)cc1 ZINC000428394390 566838004 /nfs/dbraw/zinc/83/80/04/566838004.db2.gz UPTYEAGUXPZKAI-HOCLYGCPSA-N -1 3 388.555 3.038 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)C1 ZINC000610511135 566838696 /nfs/dbraw/zinc/83/86/96/566838696.db2.gz JHMSRMXAOIIZDI-FPMFFAJLSA-N -1 3 390.596 3.288 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1 ZINC000610511138 566838877 /nfs/dbraw/zinc/83/88/77/566838877.db2.gz JHMSRMXAOIIZDI-KWCYVHTRSA-N -1 3 390.596 3.288 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)c(Cl)c1Cl ZINC000428406921 566839491 /nfs/dbraw/zinc/83/94/91/566839491.db2.gz YDLXBPSQKMICTI-SNVBAGLBSA-N -1 3 388.272 3.153 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000428405330 566839756 /nfs/dbraw/zinc/83/97/56/566839756.db2.gz WHCJPLPCZBBGRB-PBHICJAKSA-N -1 3 387.835 3.063 20 0 GGADHM COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000451564643 566840161 /nfs/dbraw/zinc/84/01/61/566840161.db2.gz MCKYUHPBOZUZNQ-UHFFFAOYSA-N -1 3 385.791 3.054 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)s1 ZINC000610512836 566840319 /nfs/dbraw/zinc/84/03/19/566840319.db2.gz JOTDLQAZBWQGSF-UHFFFAOYSA-N -1 3 398.893 3.190 20 0 GGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428411824 566841426 /nfs/dbraw/zinc/84/14/26/566841426.db2.gz GMGUBWQZNUBSKK-SNVBAGLBSA-N -1 3 389.702 3.407 20 0 GGADHM C[C@H](CNC(=O)c1cccc(Br)c1[O-])N(C)Cc1ccccc1 ZINC000517713221 566841437 /nfs/dbraw/zinc/84/14/37/566841437.db2.gz ONZZCKCCSJHZFJ-CYBMUJFWSA-N -1 3 377.282 3.405 20 0 GGADHM COCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000490319603 566841944 /nfs/dbraw/zinc/84/19/44/566841944.db2.gz CCHJPSDWJNFECA-UHFFFAOYSA-N -1 3 375.918 3.470 20 0 GGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000428410900 566842000 /nfs/dbraw/zinc/84/20/00/566842000.db2.gz GTCJTPGVGCOTIM-CYBMUJFWSA-N -1 3 375.918 3.470 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000428423729 566842950 /nfs/dbraw/zinc/84/29/50/566842950.db2.gz PWFWSSVASCPNSD-RHSMWYFYSA-N -1 3 387.835 3.063 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000428423728 566843461 /nfs/dbraw/zinc/84/34/61/566843461.db2.gz PWFWSSVASCPNSD-PBHICJAKSA-N -1 3 387.835 3.063 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]Cc2occc2C)cc1Cl ZINC000490333030 566844088 /nfs/dbraw/zinc/84/40/88/566844088.db2.gz AJDCUBDMHRVRNU-UHFFFAOYSA-N -1 3 394.674 3.491 20 0 GGADHM O=C([O-])CN(Cc1ccc(Cl)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000582246872 566844392 /nfs/dbraw/zinc/84/43/92/566844392.db2.gz TVTUGNYLSUZBPE-INIZCTEOSA-N -1 3 384.259 3.320 20 0 GGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000610590636 566844877 /nfs/dbraw/zinc/84/48/77/566844877.db2.gz INZZWMTYJSCNQJ-UHFFFAOYSA-N -1 3 392.260 3.383 20 0 GGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000610590626 566845769 /nfs/dbraw/zinc/84/57/69/566845769.db2.gz HPCRKQUGIWSISP-UHFFFAOYSA-N -1 3 392.260 3.383 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)CCC(C)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000632078086 566846218 /nfs/dbraw/zinc/84/62/18/566846218.db2.gz HJABKYHJBVPERW-SECBINFHSA-N -1 3 379.816 3.416 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cscc2Br)s1 ZINC000632078505 566846635 /nfs/dbraw/zinc/84/66/35/566846635.db2.gz SBGLZYAELGJSRW-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000470103399 566846894 /nfs/dbraw/zinc/84/68/94/566846894.db2.gz ZKBGVVQNBRAGTQ-CQSZACIVSA-N -1 3 384.567 3.424 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccs1 ZINC000517784037 566847777 /nfs/dbraw/zinc/84/77/77/566847777.db2.gz HJOIECQYCZJPCW-AWEZNQCLSA-N -1 3 379.425 3.204 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H]2c3cccc(Br)c3CC2(C)C)cn1C ZINC000490421706 566848433 /nfs/dbraw/zinc/84/84/33/566848433.db2.gz ZEKNHEVRMOAUIU-HNNXBMFYSA-N -1 3 398.326 3.093 20 0 GGADHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000563055852 566848536 /nfs/dbraw/zinc/84/85/36/566848536.db2.gz WNMTZYUACMYEII-HZMBPMFUSA-N -1 3 396.734 3.073 20 0 GGADHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000563055854 566849479 /nfs/dbraw/zinc/84/94/79/566849479.db2.gz WNMTZYUACMYEII-QMTHXVAHSA-N -1 3 396.734 3.073 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1CSc2ccccc21 ZINC000451609944 566850295 /nfs/dbraw/zinc/85/02/95/566850295.db2.gz DXNVHTJKSGEFGM-NSHDSACASA-N -1 3 383.516 3.011 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000490449595 566852253 /nfs/dbraw/zinc/85/22/53/566852253.db2.gz CLMLWNKQINOXSC-UHFFFAOYSA-N -1 3 380.322 3.489 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000490449508 566852305 /nfs/dbraw/zinc/85/23/05/566852305.db2.gz PXWJYMRALTWGMI-LBPRGKRZSA-N -1 3 384.860 3.045 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)cc1OC ZINC000451616216 566852430 /nfs/dbraw/zinc/85/24/30/566852430.db2.gz YRJYTYXCCMIRFF-NSHDSACASA-N -1 3 383.466 3.011 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nnc(C(C)C)s2)c(Cl)cc1F ZINC000490451652 566852597 /nfs/dbraw/zinc/85/25/97/566852597.db2.gz GONUXBNAVMUHGW-UHFFFAOYSA-N -1 3 377.894 3.283 20 0 GGADHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cccc(Br)c3F)nc2c1 ZINC000543112403 566852703 /nfs/dbraw/zinc/85/27/03/566852703.db2.gz VWMRMCZTEBILMV-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H]2CCC[C@H]21 ZINC000428535962 566852891 /nfs/dbraw/zinc/85/28/91/566852891.db2.gz ICMBAGXMABCYAI-SMDDNHRTSA-N -1 3 391.320 3.063 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000490460219 566853670 /nfs/dbraw/zinc/85/36/70/566853670.db2.gz VKIDDOXQOZRKMF-UHFFFAOYSA-N -1 3 380.322 3.489 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc21 ZINC000451639773 566853927 /nfs/dbraw/zinc/85/39/27/566853927.db2.gz JAUCKIIJKSLEQX-CQSZACIVSA-N -1 3 379.503 3.242 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000490459379 566854136 /nfs/dbraw/zinc/85/41/36/566854136.db2.gz RMKRAYVGSUKICC-UHFFFAOYSA-N -1 3 379.429 3.201 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cc(C2CC2)ccc1F ZINC000451643152 566856510 /nfs/dbraw/zinc/85/65/10/566856510.db2.gz NQLKNSOLNZWHOZ-UHFFFAOYSA-N -1 3 383.466 3.338 20 0 GGADHM O=S(=O)([N-]Cc1noc2ccccc21)c1cc(Br)ccc1F ZINC000470235675 566857679 /nfs/dbraw/zinc/85/76/79/566857679.db2.gz BMIDGTLMRMKIES-UHFFFAOYSA-N -1 3 385.214 3.208 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)OC ZINC000490503382 566858005 /nfs/dbraw/zinc/85/80/05/566858005.db2.gz PKCUMOPPFPLWBJ-UHFFFAOYSA-N -1 3 385.507 3.171 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccccc1Cl ZINC000679468454 566858082 /nfs/dbraw/zinc/85/80/82/566858082.db2.gz IFIDTULZLYUCQU-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2noc3ccccc23)sc1Br ZINC000470236866 566858405 /nfs/dbraw/zinc/85/84/05/566858405.db2.gz JPUJSRCMOGMUPV-UHFFFAOYSA-N -1 3 387.280 3.439 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(C)cc2F)sc1Br ZINC000451666156 566858959 /nfs/dbraw/zinc/85/89/59/566858959.db2.gz SXEMYZOFXDRHLG-UHFFFAOYSA-N -1 3 393.303 3.281 20 0 GGADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000543163305 566859028 /nfs/dbraw/zinc/85/90/28/566859028.db2.gz GGZCXBIOFNEEOH-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2c(C)cccc2F)sc1Br ZINC000451660396 566859166 /nfs/dbraw/zinc/85/91/66/566859166.db2.gz GDEQNXUJJOAKLM-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2cc(C)cc(C)c2)sc1Br ZINC000451659620 566859189 /nfs/dbraw/zinc/85/91/89/566859189.db2.gz DDUMLZPVSCEUMG-UHFFFAOYSA-N -1 3 389.340 3.450 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)o1 ZINC000490515267 566859544 /nfs/dbraw/zinc/85/95/44/566859544.db2.gz YYBUXQKIECXVKQ-UHFFFAOYSA-N -1 3 378.372 3.313 20 0 GGADHM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc(Br)cc1 ZINC000470254162 566860214 /nfs/dbraw/zinc/86/02/14/566860214.db2.gz HPCDUPXOEIDKHZ-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccccn1 ZINC000451673256 566860350 /nfs/dbraw/zinc/86/03/50/566860350.db2.gz SBIHLTPLDWGGEQ-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)c1ccccn1 ZINC000451671087 566860600 /nfs/dbraw/zinc/86/06/00/566860600.db2.gz KWBHGVRXCJRYFF-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccccn1 ZINC000451672954 566860849 /nfs/dbraw/zinc/86/08/49/566860849.db2.gz QWBIJIJHGXKBRW-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc([S@@](C)=O)cc1 ZINC000610758959 566861231 /nfs/dbraw/zinc/86/12/31/566861231.db2.gz PRDKGQSPLVFPDP-XMMPIXPASA-N -1 3 381.450 3.096 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)ccc1F ZINC000582437019 566861384 /nfs/dbraw/zinc/86/13/84/566861384.db2.gz VEXMFLVRJNBZQF-OLZOCXBDSA-N -1 3 382.844 3.129 20 0 GGADHM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(F)cc2nn[n-]c21 ZINC000582437554 566861824 /nfs/dbraw/zinc/86/18/24/566861824.db2.gz UPBGAZHQYKPBPV-CYBMUJFWSA-N -1 3 383.210 3.257 20 0 GGADHM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(F)cc2[n-]nnc21 ZINC000582437554 566861831 /nfs/dbraw/zinc/86/18/31/566861831.db2.gz UPBGAZHQYKPBPV-CYBMUJFWSA-N -1 3 383.210 3.257 20 0 GGADHM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000582437554 566861834 /nfs/dbraw/zinc/86/18/34/566861834.db2.gz UPBGAZHQYKPBPV-CYBMUJFWSA-N -1 3 383.210 3.257 20 0 GGADHM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451684625 566862139 /nfs/dbraw/zinc/86/21/39/566862139.db2.gz JBTYFDPIDTYOAG-CYBMUJFWSA-N -1 3 375.918 3.206 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C2(Cc3ccccc3Br)CC2)nc1C ZINC000490530580 566862011 /nfs/dbraw/zinc/86/20/11/566862011.db2.gz FFKOSXMBDDXFAC-UHFFFAOYSA-N -1 3 398.326 3.028 20 0 GGADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)OC ZINC000451675905 566862235 /nfs/dbraw/zinc/86/22/35/566862235.db2.gz CZLZHBPAFQSHKM-AAEUAGOBSA-N -1 3 385.507 3.027 20 0 GGADHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)OC ZINC000451683530 566862489 /nfs/dbraw/zinc/86/24/89/566862489.db2.gz UVMCLDVVLTYTLU-WOSRLPQWSA-N -1 3 393.933 3.093 20 0 GGADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)OC ZINC000451683531 566862592 /nfs/dbraw/zinc/86/25/92/566862592.db2.gz UVMCLDVVLTYTLU-XEZPLFJOSA-N -1 3 393.933 3.093 20 0 GGADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000490531890 566863011 /nfs/dbraw/zinc/86/30/11/566863011.db2.gz SFICIXOASYHTKB-UHFFFAOYSA-N -1 3 385.379 3.245 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br)OC ZINC000582455114 566863905 /nfs/dbraw/zinc/86/39/05/566863905.db2.gz FGKZQYZABPXGJP-VIFPVBQESA-N -1 3 390.221 3.171 20 0 GGADHM Cc1ncc(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000543208211 566864010 /nfs/dbraw/zinc/86/40/10/566864010.db2.gz MCRXSIQCOOTRIG-UHFFFAOYSA-N -1 3 393.285 3.030 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543246072 566864907 /nfs/dbraw/zinc/86/49/07/566864907.db2.gz IURMVKUEVZACDK-GXSJLCMTSA-N -1 3 382.707 3.338 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cccc(Br)c1F)c1nccs1 ZINC000543245146 566865191 /nfs/dbraw/zinc/86/51/91/566865191.db2.gz CUFBRWGOXAXROG-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO[C@@H]1C1CC1 ZINC000543244985 566865299 /nfs/dbraw/zinc/86/52/99/566865299.db2.gz KJRSHIROGHFYIF-KGLIPLIRSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CNCc1cnc(C)[n-]c1=O ZINC000543234952 566865661 /nfs/dbraw/zinc/86/56/61/566865661.db2.gz BDSHHESSFQVQPA-UHFFFAOYSA-N -1 3 388.269 3.037 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)cc2F)o1 ZINC000490577621 566866080 /nfs/dbraw/zinc/86/60/80/566866080.db2.gz GXPHNWSDMWLWMP-UHFFFAOYSA-N -1 3 391.262 3.316 20 0 GGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000563226816 566866585 /nfs/dbraw/zinc/86/65/85/566866585.db2.gz XUKYMYIYKPCOCI-CQSZACIVSA-N -1 3 388.917 3.133 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO[C@H]1C1CC1 ZINC000543246968 566867304 /nfs/dbraw/zinc/86/73/04/566867304.db2.gz QVKBFKRUYAOVMQ-KBPBESRZSA-N -1 3 394.718 3.338 20 0 GGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Br)ccc1-n1cncn1 ZINC000563225063 566867358 /nfs/dbraw/zinc/86/73/58/566867358.db2.gz OARULVDOHPUKQV-GFCCVEGCSA-N -1 3 387.303 3.350 20 0 GGADHM O=C(CCC(=O)c1ccc(Cl)cn1)NCc1ccc([O-])c(Br)c1 ZINC000470379426 566867781 /nfs/dbraw/zinc/86/77/81/566867781.db2.gz LKCKEPHGAFASOJ-UHFFFAOYSA-N -1 3 397.656 3.482 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)c1ccccc1SCc1cccs1 ZINC000490588296 566867852 /nfs/dbraw/zinc/86/78/52/566867852.db2.gz QSUWOTKMJIPKIT-UHFFFAOYSA-N -1 3 392.531 3.495 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)c1ccccc1SCc1cccs1 ZINC000490588296 566867854 /nfs/dbraw/zinc/86/78/54/566867854.db2.gz QSUWOTKMJIPKIT-UHFFFAOYSA-N -1 3 392.531 3.495 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000470383105 566867872 /nfs/dbraw/zinc/86/78/72/566867872.db2.gz NQSMRSINURWBMA-HNNXBMFYSA-N -1 3 378.519 3.203 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccccc1SCc1cccs1 ZINC000490588296 566867858 /nfs/dbraw/zinc/86/78/58/566867858.db2.gz QSUWOTKMJIPKIT-UHFFFAOYSA-N -1 3 392.531 3.495 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cscc2Br)n[nH]1 ZINC000632273665 566868364 /nfs/dbraw/zinc/86/83/64/566868364.db2.gz WKENQOXKKCLORA-JGVFFNPUSA-N -1 3 393.332 3.182 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)o1 ZINC000490601197 566869515 /nfs/dbraw/zinc/86/95/15/566869515.db2.gz LFPNHOFHZJRBAJ-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c(N2CCCC2)n1 ZINC000679714601 566869688 /nfs/dbraw/zinc/86/96/88/566869688.db2.gz YPMBKRGJSFWCED-UHFFFAOYSA-N -1 3 383.876 3.261 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656101199 566869780 /nfs/dbraw/zinc/86/97/80/566869780.db2.gz VWTYIJADMZEEGS-FPMFFAJLSA-N -1 3 387.929 3.359 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000518201120 566869995 /nfs/dbraw/zinc/86/99/95/566869995.db2.gz SLAROFIRBPQJSM-INIZCTEOSA-N -1 3 379.254 3.371 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000518201122 566870182 /nfs/dbraw/zinc/87/01/82/566870182.db2.gz SLAROFIRBPQJSM-MRXNPFEDSA-N -1 3 379.254 3.371 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000518211827 566870359 /nfs/dbraw/zinc/87/03/59/566870359.db2.gz FZGQATOZRFBIBK-CYBMUJFWSA-N -1 3 376.309 3.335 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000582518221 566871219 /nfs/dbraw/zinc/87/12/19/566871219.db2.gz LTHIYOMUMOMVLY-CYBMUJFWSA-N -1 3 393.256 3.437 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000451727306 566871250 /nfs/dbraw/zinc/87/12/50/566871250.db2.gz AORZKHRYVZHTPX-ZDUSSCGKSA-N -1 3 379.425 3.477 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1cncc(F)c1 ZINC000679759820 566871541 /nfs/dbraw/zinc/87/15/41/566871541.db2.gz IBSBEFJKSOWPQB-SECBINFHSA-N -1 3 389.246 3.031 20 0 GGADHM O=C([O-])c1cn([C@H]2CCCN(CCCSc3ccccc3Cl)C2)nn1 ZINC000563290608 566872273 /nfs/dbraw/zinc/87/22/73/566872273.db2.gz PJMXBJDEZZVMMU-ZDUSSCGKSA-N -1 3 380.901 3.449 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)CCC=C(C)C)c1OC ZINC000451742707 566872916 /nfs/dbraw/zinc/87/29/16/566872916.db2.gz RRHZKGMXHZQYKR-LBPRGKRZSA-N -1 3 388.917 3.121 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1cccc(Br)c1F ZINC000543395468 566876788 /nfs/dbraw/zinc/87/67/88/566876788.db2.gz XXCIDUPGARXIPM-UHFFFAOYSA-N -1 3 396.225 3.162 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCO[C@H]1C1CC1 ZINC000543394581 566876881 /nfs/dbraw/zinc/87/68/81/566876881.db2.gz WGESLAGRTKMEDK-GJZGRUSLSA-N -1 3 392.290 3.072 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cccc(Br)c1F ZINC000543397267 566877054 /nfs/dbraw/zinc/87/70/54/566877054.db2.gz DCAVARBKCJJARF-SGIREYDYSA-N -1 3 382.254 3.205 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCC1 ZINC000543393888 566877234 /nfs/dbraw/zinc/87/72/34/566877234.db2.gz KVCJHKYSTJQCSI-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM Cc1cccc(C[C@@H](CO)NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)c1 ZINC000470472392 566877265 /nfs/dbraw/zinc/87/72/65/566877265.db2.gz GAUNVSMBXJDUPJ-ZDUSSCGKSA-N -1 3 375.881 3.433 20 0 GGADHM COC(=O)C[C@@](C)(NCc1ncccc1[O-])c1ccc(Br)cc1 ZINC000563365853 566879549 /nfs/dbraw/zinc/87/95/49/566879549.db2.gz VMUNADYPTUQBQY-QGZVFWFLSA-N -1 3 379.254 3.118 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(=O)OC ZINC000490780591 566879733 /nfs/dbraw/zinc/87/97/33/566879733.db2.gz CTASNXSRCHPWGK-QGZVFWFLSA-N -1 3 389.901 3.139 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000563413104 566881605 /nfs/dbraw/zinc/88/16/05/566881605.db2.gz LZHWQOGSVXRWSS-CQSZACIVSA-N -1 3 375.266 3.183 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000451788323 566881748 /nfs/dbraw/zinc/88/17/48/566881748.db2.gz OQTBCRAIHYOOIV-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2scnc2C)cc1Cl ZINC000451789126 566882251 /nfs/dbraw/zinc/88/22/51/566882251.db2.gz QJIADTMHOHQRPJ-UHFFFAOYSA-N -1 3 381.306 3.288 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563394847 566882250 /nfs/dbraw/zinc/88/22/50/566882250.db2.gz QKIXWXJTPRJDML-LBPRGKRZSA-N -1 3 392.278 3.399 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCCCC(C)=O ZINC000632416658 566882398 /nfs/dbraw/zinc/88/23/98/566882398.db2.gz ZFWBGCAMRQBTSB-UHFFFAOYSA-N -1 3 396.278 3.025 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H](C)Cc2ccc(Cl)cc2)ccc1F ZINC000582658017 566882617 /nfs/dbraw/zinc/88/26/17/566882617.db2.gz LTANJSFMRAGKSE-LLVKDONJSA-N -1 3 384.860 3.205 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCc2c1cnn2C ZINC000470555918 566883132 /nfs/dbraw/zinc/88/31/32/566883132.db2.gz LHCGWLBMHLWVGP-CQSZACIVSA-N -1 3 379.869 3.484 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000563434929 566883437 /nfs/dbraw/zinc/88/34/37/566883437.db2.gz WCRQSOUQXYOARW-UHFFFAOYSA-N -1 3 398.319 3.161 20 0 GGADHM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000451806764 566883661 /nfs/dbraw/zinc/88/36/61/566883661.db2.gz FRDSHYFNQFAJHW-UHFFFAOYSA-N -1 3 388.198 3.224 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000451806374 566883670 /nfs/dbraw/zinc/88/36/70/566883670.db2.gz CTQVIOCYAWZOOO-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCc2ncccc2C)sc1Br ZINC000451805467 566884012 /nfs/dbraw/zinc/88/40/12/566884012.db2.gz BGDSHXRCDQLCFU-UHFFFAOYSA-N -1 3 389.340 3.434 20 0 GGADHM Cn1[n-]c(=NC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1OC(F)F ZINC000490938162 566885554 /nfs/dbraw/zinc/88/55/54/566885554.db2.gz KKQHGDZMODHNRB-UHFFFAOYSA-N -1 3 384.795 3.473 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(C)(C)C ZINC000611032993 566885446 /nfs/dbraw/zinc/88/54/46/566885446.db2.gz HRWNGCJPRNRRHF-LLVKDONJSA-N -1 3 387.807 3.225 20 0 GGADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490933024 566886063 /nfs/dbraw/zinc/88/60/63/566886063.db2.gz DBIIOYNGQKPFHP-ZETCQYMHSA-N -1 3 380.178 3.156 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2c(C)n[nH]c2C)s1 ZINC000632446266 566886617 /nfs/dbraw/zinc/88/66/17/566886617.db2.gz ZWPAEHRBMKWGJY-VIFPVBQESA-N -1 3 378.317 3.198 20 0 GGADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490933023 566886653 /nfs/dbraw/zinc/88/66/53/566886653.db2.gz DBIIOYNGQKPFHP-SSDOTTSWSA-N -1 3 380.178 3.156 20 0 GGADHM Cn1[n-]c(=NC(=O)CSc2cc(Cl)ccc2Cl)cc1OC(F)F ZINC000490943291 566886684 /nfs/dbraw/zinc/88/66/84/566886684.db2.gz NSBUADHKNQRYFA-UHFFFAOYSA-N -1 3 382.219 3.481 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2c(C)n[nH]c2C)cc1Cl ZINC000632445806 566886754 /nfs/dbraw/zinc/88/67/54/566886754.db2.gz QKJNDXSPFGXATH-SECBINFHSA-N -1 3 378.281 3.381 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1csnc1-c1ccccc1 ZINC000632459445 566886968 /nfs/dbraw/zinc/88/69/68/566886968.db2.gz FUTFMJCHNDBOLB-UHFFFAOYSA-N -1 3 378.504 3.018 20 0 GGADHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470605176 566886992 /nfs/dbraw/zinc/88/69/92/566886992.db2.gz FBWGLNPUTWNQKP-ZDUSSCGKSA-N -1 3 380.857 3.108 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000490967946 566887229 /nfs/dbraw/zinc/88/72/29/566887229.db2.gz LAWGBWGIBFWABS-IUCAKERBSA-N -1 3 376.190 3.492 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCOC1CCOCC1 ZINC000470602864 566887465 /nfs/dbraw/zinc/88/74/65/566887465.db2.gz QXJXZVHLEMYGQJ-UHFFFAOYSA-N -1 3 387.885 3.259 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2ccc(C)cc21 ZINC000611079209 566887441 /nfs/dbraw/zinc/88/74/41/566887441.db2.gz MLKKHNLJKMXZCT-INIZCTEOSA-N -1 3 379.865 3.401 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000451820839 566887572 /nfs/dbraw/zinc/88/75/72/566887572.db2.gz FJHCUVFOUANGEJ-VIFPVBQESA-N -1 3 384.242 3.171 20 0 GGADHM Cn1[n-]c(=NC(=O)CSc2cccc(C(F)(F)F)c2)cc1OC(F)F ZINC000490978638 566887623 /nfs/dbraw/zinc/88/76/23/566887623.db2.gz YUVSKNMEHSRQPK-UHFFFAOYSA-N -1 3 381.326 3.193 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cccc(OC(F)(F)F)c1F ZINC000451821659 566887884 /nfs/dbraw/zinc/88/78/84/566887884.db2.gz HNYACZFRGVXMSA-MRVPVSSYSA-N -1 3 377.306 3.438 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000611080036 566887902 /nfs/dbraw/zinc/88/79/02/566887902.db2.gz AORBWVPMZZRXMM-FUHWJXTLSA-N -1 3 379.865 3.135 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)c1ccccc1 ZINC000611080037 566888056 /nfs/dbraw/zinc/88/80/56/566888056.db2.gz AORBWVPMZZRXMM-SJLPKXTDSA-N -1 3 379.865 3.135 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)n1 ZINC000632465396 566888013 /nfs/dbraw/zinc/88/80/13/566888013.db2.gz CNUXVZHUTVKKGE-VIFPVBQESA-N -1 3 390.914 3.416 20 0 GGADHM Cc1ccc(CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C(C)C)s1 ZINC000518500836 566888304 /nfs/dbraw/zinc/88/83/04/566888304.db2.gz YIXDOVYGZYOAMJ-UHFFFAOYSA-N -1 3 386.564 3.224 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1nc(C(F)(F)F)no1 ZINC000632479614 566888439 /nfs/dbraw/zinc/88/84/39/566888439.db2.gz FTSCCFSQVXYJIR-ZCFIWIBFSA-N -1 3 387.742 3.062 20 0 GGADHM Cn1[n-]c(=NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1OC(F)F ZINC000490993876 566888528 /nfs/dbraw/zinc/88/85/28/566888528.db2.gz ZOTCQHKQABKUPM-UHFFFAOYSA-N -1 3 384.795 3.473 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000490967944 566888554 /nfs/dbraw/zinc/88/85/54/566888554.db2.gz LAWGBWGIBFWABS-DTWKUNHWSA-N -1 3 376.190 3.492 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(Br)cc3cccnc32)cc1OC(F)F ZINC000490986044 566888622 /nfs/dbraw/zinc/88/86/22/566888622.db2.gz GWFUNAVABSGXFJ-UHFFFAOYSA-N -1 3 397.179 3.006 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCCC1 ZINC000470612817 566888773 /nfs/dbraw/zinc/88/87/73/566888773.db2.gz NYOADRSFUSPDFP-LBPRGKRZSA-N -1 3 384.885 3.074 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)n1 ZINC000632465560 566888806 /nfs/dbraw/zinc/88/88/06/566888806.db2.gz GSCZWMCYMPXMGK-SECBINFHSA-N -1 3 390.914 3.416 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1ccccn1 ZINC000632472316 566888823 /nfs/dbraw/zinc/88/88/23/566888823.db2.gz LWIVMGZXUJBTIT-CYBMUJFWSA-N -1 3 385.848 3.262 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1C(N)=O ZINC000470614928 566889168 /nfs/dbraw/zinc/88/91/68/566889168.db2.gz XSNKMHJABYHTIU-TZMCWYRMSA-N -1 3 384.885 3.107 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c2ccc(C)cc2)s1 ZINC000611104649 566889862 /nfs/dbraw/zinc/88/98/62/566889862.db2.gz AHQULHIPBWNVEH-OAHLLOKOSA-N -1 3 382.507 3.121 20 0 GGADHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000611105379 566889885 /nfs/dbraw/zinc/88/98/85/566889885.db2.gz FJZQRQILTLSFPT-UHFFFAOYSA-N -1 3 396.877 3.215 20 0 GGADHM O=C(Cc1cncc([O-])c1)NCC1(c2cccc(Br)c2)CCC1 ZINC000582736387 566890079 /nfs/dbraw/zinc/89/00/79/566890079.db2.gz WJTQBVKOKLVEAS-UHFFFAOYSA-N -1 3 375.266 3.330 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)s1 ZINC000451834321 566891311 /nfs/dbraw/zinc/89/13/11/566891311.db2.gz IWIQUIKETQGECU-NSHDSACASA-N -1 3 398.344 3.074 20 0 GGADHM CC(C)n1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nn1 ZINC000632528858 566891440 /nfs/dbraw/zinc/89/14/40/566891440.db2.gz NPUCUOZAOCUTEW-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000518575756 566891711 /nfs/dbraw/zinc/89/17/11/566891711.db2.gz ONWJNGMRNZNMLS-VIFPVBQESA-N -1 3 388.536 3.328 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@@H]1COCc2ccccc21 ZINC000563530025 566892762 /nfs/dbraw/zinc/89/27/62/566892762.db2.gz BHFUXDSSFNGRSI-MRXNPFEDSA-N -1 3 382.279 3.140 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000543619831 566893349 /nfs/dbraw/zinc/89/33/49/566893349.db2.gz KRKVUHKRZLQUGI-OAHLLOKOSA-N -1 3 375.824 3.080 20 0 GGADHM C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nccs1 ZINC000543594706 566893410 /nfs/dbraw/zinc/89/34/10/566893410.db2.gz KLENCRYBTHJDDR-VIFPVBQESA-N -1 3 392.278 3.281 20 0 GGADHM O=S(=O)(Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccc([O-])c1 ZINC000543619069 566893463 /nfs/dbraw/zinc/89/34/63/566893463.db2.gz ZANKKVNLQXOPNZ-UHFFFAOYSA-N -1 3 375.427 3.218 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1cc(C(F)(F)F)ccc1F ZINC000563533104 566893845 /nfs/dbraw/zinc/89/38/45/566893845.db2.gz VLURKFUVXUBPCJ-UHFFFAOYSA-N -1 3 381.376 3.052 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000680127242 566894669 /nfs/dbraw/zinc/89/46/69/566894669.db2.gz VKMTZRDFLPKZHH-GFCCVEGCSA-N -1 3 399.191 3.366 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1ccc(F)cc1Cl ZINC000543621693 566894719 /nfs/dbraw/zinc/89/47/19/566894719.db2.gz YULUEGDBLRLZMI-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM O=C(CCNC(=O)c1cccc2nn[n-]c21)Nc1cc(Cl)cc(Cl)c1 ZINC000563561905 566894766 /nfs/dbraw/zinc/89/47/66/566894766.db2.gz LKDGKXRCZNHNCV-UHFFFAOYSA-N -1 3 378.219 3.023 20 0 GGADHM O=C(CCNC(=O)c1cccc2[n-]nnc21)Nc1cc(Cl)cc(Cl)c1 ZINC000563561905 566894772 /nfs/dbraw/zinc/89/47/72/566894772.db2.gz LKDGKXRCZNHNCV-UHFFFAOYSA-N -1 3 378.219 3.023 20 0 GGADHM O=C(CCNC(=O)c1cccc2n[n-]nc21)Nc1cc(Cl)cc(Cl)c1 ZINC000563561905 566894776 /nfs/dbraw/zinc/89/47/76/566894776.db2.gz LKDGKXRCZNHNCV-UHFFFAOYSA-N -1 3 378.219 3.023 20 0 GGADHM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000451857475 566895528 /nfs/dbraw/zinc/89/55/28/566895528.db2.gz QTQPPWVSVAZNGX-SWLSCSKDSA-N -1 3 397.846 3.434 20 0 GGADHM COC1CCN(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000518619899 566895753 /nfs/dbraw/zinc/89/57/53/566895753.db2.gz IXMXGUIONYQDJB-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccs1 ZINC000563570542 566896257 /nfs/dbraw/zinc/89/62/57/566896257.db2.gz CWBUSFAOVCBNGI-OAHLLOKOSA-N -1 3 375.462 3.206 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccs1 ZINC000563570541 566896614 /nfs/dbraw/zinc/89/66/14/566896614.db2.gz CWBUSFAOVCBNGI-HNNXBMFYSA-N -1 3 375.462 3.206 20 0 GGADHM O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCc2c(=O)[n-]cnc2C1 ZINC000680222577 566897979 /nfs/dbraw/zinc/89/79/79/566897979.db2.gz HUWKUOACBRFHBA-UHFFFAOYSA-N -1 3 378.866 3.219 20 0 GGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cc1 ZINC000518725273 566900447 /nfs/dbraw/zinc/90/04/47/566900447.db2.gz KLZOWOQPYQJFSQ-UHFFFAOYSA-N -1 3 377.487 3.358 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F ZINC000543682038 566900881 /nfs/dbraw/zinc/90/08/81/566900881.db2.gz HTWRGSVGCDKNPG-CQSZACIVSA-N -1 3 378.416 3.069 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000543685742 566901567 /nfs/dbraw/zinc/90/15/67/566901567.db2.gz NFMNMOMKDHANMI-VIFPVBQESA-N -1 3 399.925 3.072 20 0 GGADHM COc1ccncc1CN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000518783091 566902122 /nfs/dbraw/zinc/90/21/22/566902122.db2.gz YYWYHTWPPZDOJA-JKSUJKDBSA-N -1 3 391.265 3.153 20 0 GGADHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000632651532 566902542 /nfs/dbraw/zinc/90/25/42/566902542.db2.gz UADVDILPZUSZAZ-RXMQYKEDSA-N -1 3 382.330 3.018 20 0 GGADHM CC(C)c1nncn1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000470765016 566903712 /nfs/dbraw/zinc/90/37/12/566903712.db2.gz JLDXBFPGUBPKMQ-UHFFFAOYSA-N -1 3 396.822 3.052 20 0 GGADHM Cc1cccc(C)c1OC[C@H](O)CNCc1cccc([O-])c1Br ZINC000656489720 566904918 /nfs/dbraw/zinc/90/49/18/566904918.db2.gz MEKLTERHNJDQGS-OAHLLOKOSA-N -1 3 380.282 3.301 20 0 GGADHM O=S(=O)(CCC1Cc2ccccc2C1)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000563659506 566905322 /nfs/dbraw/zinc/90/53/22/566905322.db2.gz ZSIHHMPSBGCTEP-UHFFFAOYSA-N -1 3 390.452 3.386 20 0 GGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cnn2c1OCCC2 ZINC000563678980 566907805 /nfs/dbraw/zinc/90/78/05/566907805.db2.gz SONWPDDAUFOHIO-UHFFFAOYSA-N -1 3 379.492 3.123 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1cc(Cl)ccc1OCCC1CC1 ZINC000491578265 566909167 /nfs/dbraw/zinc/90/91/67/566909167.db2.gz FDXHTBZUAJPKQS-UHFFFAOYSA-N -1 3 380.897 3.435 20 0 GGADHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000451929353 566909573 /nfs/dbraw/zinc/90/95/73/566909573.db2.gz NVDCZFVLVUBOKB-SSDOTTSWSA-N -1 3 398.735 3.420 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491580572 566909669 /nfs/dbraw/zinc/90/96/69/566909669.db2.gz CPVFZTIRPHJZSB-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491562394 566910171 /nfs/dbraw/zinc/91/01/71/566910171.db2.gz WMLCXQIHYFUNKC-WFASDCNBSA-N -1 3 375.918 3.204 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491580571 566910217 /nfs/dbraw/zinc/91/02/17/566910217.db2.gz CPVFZTIRPHJZSB-GDBMZVCRSA-N -1 3 387.929 3.348 20 0 GGADHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000451948774 566912390 /nfs/dbraw/zinc/91/23/90/566912390.db2.gz VHPCWWFINYFPGA-ZJUUUORDSA-N -1 3 396.292 3.012 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(Cc2ccc(F)cc2)CC1 ZINC000451947706 566912760 /nfs/dbraw/zinc/91/27/60/566912760.db2.gz QTGSDXVMVJHYEP-UHFFFAOYSA-N -1 3 383.466 3.036 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cn1 ZINC000583001202 566913733 /nfs/dbraw/zinc/91/37/33/566913733.db2.gz BMAKJMRHDSDZJA-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)c(C)c2)s1 ZINC000680514952 566914776 /nfs/dbraw/zinc/91/47/76/566914776.db2.gz FMFAQXNDTRFYOD-NSHDSACASA-N -1 3 386.926 3.386 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nnc1C1CC1 ZINC000543834893 566914803 /nfs/dbraw/zinc/91/48/03/566914803.db2.gz TXVWYBDXECXJGB-UHFFFAOYSA-N -1 3 395.699 3.131 20 0 GGADHM Cc1ccc(NC(=O)NC([O-])=CS(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000611383396 566915178 /nfs/dbraw/zinc/91/51/78/566915178.db2.gz AVCPKJXMWGUXFY-UHFFFAOYSA-N -1 3 386.882 3.140 20 0 GGADHM CCc1n[n-]c(S(=O)(=O)Cc2cc(Cl)c(C)cc2Br)n1 ZINC000656555485 566915632 /nfs/dbraw/zinc/91/56/32/566915632.db2.gz CMVHIUAIGHOWQW-UHFFFAOYSA-N -1 3 378.679 3.065 20 0 GGADHM CCc1nnc(S(=O)(=O)Cc2cc(Cl)c(C)cc2Br)[n-]1 ZINC000656555485 566915636 /nfs/dbraw/zinc/91/56/36/566915636.db2.gz CMVHIUAIGHOWQW-UHFFFAOYSA-N -1 3 378.679 3.065 20 0 GGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000451971971 566915878 /nfs/dbraw/zinc/91/58/78/566915878.db2.gz NRSHSWPAOPLVRN-SDBXPKJASA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000451966167 566916013 /nfs/dbraw/zinc/91/60/13/566916013.db2.gz DSFRBLWTRQFIFR-OQPBUACISA-N -1 3 382.707 3.194 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000451973381 566916874 /nfs/dbraw/zinc/91/68/74/566916874.db2.gz XAYWVNJNQWSBMO-CYBMUJFWSA-N -1 3 377.334 3.489 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CCOC ZINC000680538246 566916769 /nfs/dbraw/zinc/91/67/69/566916769.db2.gz ODUOFDHQHRGITH-UHFFFAOYSA-N -1 3 394.331 3.189 20 0 GGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000451971970 566917250 /nfs/dbraw/zinc/91/72/50/566917250.db2.gz NRSHSWPAOPLVRN-OQPBUACISA-N -1 3 382.707 3.194 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C)c1Br ZINC000491871018 566917476 /nfs/dbraw/zinc/91/74/76/566917476.db2.gz NIGNHIWVHCHULI-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000451994407 566919547 /nfs/dbraw/zinc/91/95/47/566919547.db2.gz VPVKLDWXKYAPOO-MNOVXSKESA-N -1 3 384.910 3.046 20 0 GGADHM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)[C@@H](CC)CCC)c1 ZINC000563814010 566919952 /nfs/dbraw/zinc/91/99/52/566919952.db2.gz FTLCPCUSWMTBRA-HNNXBMFYSA-N -1 3 376.544 3.085 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000451994410 566919885 /nfs/dbraw/zinc/91/98/85/566919885.db2.gz VPVKLDWXKYAPOO-WDEREUQCSA-N -1 3 384.910 3.046 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000451994408 566919901 /nfs/dbraw/zinc/91/99/01/566919901.db2.gz VPVKLDWXKYAPOO-QWRGUYRKSA-N -1 3 384.910 3.046 20 0 GGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ncc(F)cc1I ZINC000611473758 566920828 /nfs/dbraw/zinc/92/08/28/566920828.db2.gz NJSDMODGZCAFOQ-UHFFFAOYSA-N -1 3 397.094 3.312 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(Br)c([O-])c1 ZINC000492012672 566921078 /nfs/dbraw/zinc/92/10/78/566921078.db2.gz ARUZBFHKWVSGBX-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1cccs1)C(C)(C)CO ZINC000583111651 566921188 /nfs/dbraw/zinc/92/11/88/566921188.db2.gz GVCSAILHQCSQEH-HNNXBMFYSA-N -1 3 389.926 3.448 20 0 GGADHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000452002010 566921764 /nfs/dbraw/zinc/92/17/64/566921764.db2.gz GTQGMGDAFCZMLC-SSDOTTSWSA-N -1 3 398.735 3.420 20 0 GGADHM COc1ccc(Br)c(CN(C)[C@@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000429310235 566922116 /nfs/dbraw/zinc/92/21/16/566922116.db2.gz TWRUZXJIQXKVLB-NSHDSACASA-N -1 3 382.258 3.213 20 0 GGADHM O=S(=O)([N-][C@H]1COCc2ccccc21)c1cc(Cl)ccc1OC(F)F ZINC000563838834 566922040 /nfs/dbraw/zinc/92/20/40/566922040.db2.gz IMUDVNIOWWRWOX-ZDUSSCGKSA-N -1 3 389.807 3.491 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2)C1CCCCC1 ZINC000656616006 566922733 /nfs/dbraw/zinc/92/27/33/566922733.db2.gz OIKFGRFWUDKMCH-QGZVFWFLSA-N -1 3 389.901 3.448 20 0 GGADHM Cc1ccc(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1Br ZINC000492066901 566922913 /nfs/dbraw/zinc/92/29/13/566922913.db2.gz WDORMLZLOCUYBO-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1Br ZINC000492066901 566922915 /nfs/dbraw/zinc/92/29/15/566922915.db2.gz WDORMLZLOCUYBO-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)c1ccccc1Cl ZINC000680626330 566923013 /nfs/dbraw/zinc/92/30/13/566923013.db2.gz YRNKXYJEVZWBKO-KRWDZBQOSA-N -1 3 380.853 3.288 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2)C1CCCCC1 ZINC000656616488 566923508 /nfs/dbraw/zinc/92/35/08/566923508.db2.gz WQTHTLKNPJRYDH-INIZCTEOSA-N -1 3 375.874 3.406 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)cc1Cl ZINC000519153075 566924193 /nfs/dbraw/zinc/92/41/93/566924193.db2.gz YRNVTXKUUSRDOT-SECBINFHSA-N -1 3 390.889 3.409 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)cc1Cl ZINC000656619870 566924939 /nfs/dbraw/zinc/92/49/39/566924939.db2.gz UXAZFOFCQOZKKK-QGZVFWFLSA-N -1 3 391.917 3.312 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000492129200 566924932 /nfs/dbraw/zinc/92/49/32/566924932.db2.gz KEFOFIIOODWEQY-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OCC(C)C)c(Cl)c1)[C@H]1CCOC1 ZINC000656616924 566925122 /nfs/dbraw/zinc/92/51/22/566925122.db2.gz VTSNDCZAHGQOJW-GUYCJALGSA-N -1 3 391.917 3.168 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000519202883 566926009 /nfs/dbraw/zinc/92/60/09/566926009.db2.gz DWIOVSZQHVCJTR-NOZJJQNGSA-N -1 3 398.834 3.086 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccon1 ZINC000543977177 566926172 /nfs/dbraw/zinc/92/61/72/566926172.db2.gz LDHUKVHHHOZJBA-MRVPVSSYSA-N -1 3 379.663 3.271 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000543995413 566926552 /nfs/dbraw/zinc/92/65/52/566926552.db2.gz JVPGTJHEKMVQPK-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccon1 ZINC000543977045 566926671 /nfs/dbraw/zinc/92/66/71/566926671.db2.gz CAZSMOIGGBLYQA-SSDOTTSWSA-N -1 3 399.188 3.495 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C ZINC000519215471 566927009 /nfs/dbraw/zinc/92/70/09/566927009.db2.gz HQOCHTHGFRWFSP-UHFFFAOYSA-N -1 3 375.368 3.238 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c(C2CC2)cc1Cl ZINC000656631215 566927487 /nfs/dbraw/zinc/92/74/87/566927487.db2.gz HZJIOSGSBKROJT-SJCJKPOMSA-N -1 3 389.901 3.019 20 0 GGADHM Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000656633341 566927704 /nfs/dbraw/zinc/92/77/04/566927704.db2.gz CWGUFFNIBXZOLF-UHFFFAOYSA-N -1 3 394.184 3.217 20 0 GGADHM Cc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)n1 ZINC000680715536 566927768 /nfs/dbraw/zinc/92/77/68/566927768.db2.gz DOAVCDQQWKVVDS-NSHDSACASA-N -1 3 378.841 3.133 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)OCCc2sccc21 ZINC000519236019 566927886 /nfs/dbraw/zinc/92/78/86/566927886.db2.gz JKOHUFJGTCNMNV-MRXNPFEDSA-N -1 3 382.894 3.040 20 0 GGADHM COC1CCN(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000656630978 566928156 /nfs/dbraw/zinc/92/81/56/566928156.db2.gz GRPHSPLWYXDXPY-UHFFFAOYSA-N -1 3 388.795 3.006 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)C1(O)CCCC1 ZINC000452054582 566928107 /nfs/dbraw/zinc/92/81/07/566928107.db2.gz RZOVRQSCGWIHNS-UHFFFAOYSA-N -1 3 394.306 3.198 20 0 GGADHM O=S(=O)([N-][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cccs1 ZINC000452056167 566928135 /nfs/dbraw/zinc/92/81/35/566928135.db2.gz DFOAAJSNAHUWCZ-UONOGXRCSA-N -1 3 390.452 3.057 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cnc1C)C1CCCC1 ZINC000656632292 566928180 /nfs/dbraw/zinc/92/81/80/566928180.db2.gz VKMDTLQIJQDVRK-AWEZNQCLSA-N -1 3 377.304 3.099 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)C1(O)CCCC1 ZINC000452049620 566928346 /nfs/dbraw/zinc/92/83/46/566928346.db2.gz UCFQMSDGVSWKRA-UHFFFAOYSA-N -1 3 394.306 3.198 20 0 GGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000452067565 566929521 /nfs/dbraw/zinc/92/95/21/566929521.db2.gz MHYCOJLAOCVRRY-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000452068082 566929809 /nfs/dbraw/zinc/92/98/09/566929809.db2.gz NLUYXSHDPJFQMZ-VXGBXAGGSA-N -1 3 382.345 3.445 20 0 GGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000452072817 566930320 /nfs/dbraw/zinc/93/03/20/566930320.db2.gz UPYXXAOHZORQGV-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(CNCCc2nnc(C(C)C)s2)c(Br)c1[O-] ZINC000492239199 566930348 /nfs/dbraw/zinc/93/03/48/566930348.db2.gz HVQRRBZNJHBSEG-UHFFFAOYSA-N -1 3 386.315 3.471 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CCc3ccccc3Cl)cc2N1 ZINC000519309074 566931353 /nfs/dbraw/zinc/93/13/53/566931353.db2.gz JHIMBMPUIFIKFS-UHFFFAOYSA-N -1 3 399.299 3.399 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)CN2CCCC2)c(Cl)c1Cl ZINC000452094243 566935597 /nfs/dbraw/zinc/93/55/97/566935597.db2.gz YYTJNLBOUGXDGR-UHFFFAOYSA-N -1 3 381.325 3.155 20 0 GGADHM COc1coc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)cc1=O ZINC000471205034 566936238 /nfs/dbraw/zinc/93/62/38/566936238.db2.gz RFABMUHLNJDNLZ-UHFFFAOYSA-N -1 3 379.825 3.291 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@](C)(Cc1ccccc1)C1CC1 ZINC000452108674 566937152 /nfs/dbraw/zinc/93/71/52/566937152.db2.gz VDIXALWTBPVTOI-SFHVURJKSA-N -1 3 379.503 3.224 20 0 GGADHM CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cc([O-])ccc2Br)C1 ZINC000492790632 566937139 /nfs/dbraw/zinc/93/71/39/566937139.db2.gz CQNBCEBWCNVICU-BXUZGUMPSA-N -1 3 395.219 3.186 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@](C)(Cc1ccccc1)C1CC1 ZINC000452108673 566937167 /nfs/dbraw/zinc/93/71/67/566937167.db2.gz VDIXALWTBPVTOI-GOSISDBHSA-N -1 3 379.503 3.224 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)cc1Cl ZINC000544099920 566937470 /nfs/dbraw/zinc/93/74/70/566937470.db2.gz KLKDPFSVGDWNIY-MNOVXSKESA-N -1 3 382.309 3.486 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)cc1Cl ZINC000544099922 566938145 /nfs/dbraw/zinc/93/81/45/566938145.db2.gz KLKDPFSVGDWNIY-WDEREUQCSA-N -1 3 382.309 3.486 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656729939 566938646 /nfs/dbraw/zinc/93/86/46/566938646.db2.gz CLSBYNGXMORJNS-UHFFFAOYSA-N -1 3 386.876 3.491 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)sc1Br ZINC000544104694 566938842 /nfs/dbraw/zinc/93/88/42/566938842.db2.gz KQMOSGHBGGOYQY-MNOVXSKESA-N -1 3 382.345 3.303 20 0 GGADHM Cc1ccc(SCC[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000519412444 566939098 /nfs/dbraw/zinc/93/90/98/566939098.db2.gz QQQCFIQSSARBJW-UHFFFAOYSA-N -1 3 387.324 3.223 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C)ncc1C ZINC000656729876 566939100 /nfs/dbraw/zinc/93/91/00/566939100.db2.gz CMDWAGQLTGJECF-UHFFFAOYSA-N -1 3 399.310 3.472 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)sc1Br ZINC000544104693 566939167 /nfs/dbraw/zinc/93/91/67/566939167.db2.gz KQMOSGHBGGOYQY-GHMZBOCLSA-N -1 3 382.345 3.303 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ncc(C)cc1Br)C1CCCCC1 ZINC000656729717 566939795 /nfs/dbraw/zinc/93/97/95/566939795.db2.gz BHOZLAWFHYGHHW-AWEZNQCLSA-N -1 3 391.331 3.490 20 0 GGADHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000452127445 566939835 /nfs/dbraw/zinc/93/98/35/566939835.db2.gz SIEJJZVIBLIVOA-FIXISWKDSA-N -1 3 385.277 3.096 20 0 GGADHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2F)c(C(F)(F)F)n1 ZINC000656732034 566941037 /nfs/dbraw/zinc/94/10/37/566941037.db2.gz VFJBXGOUWAIOFQ-UHFFFAOYSA-N -1 3 378.347 3.233 20 0 GGADHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130674 566941042 /nfs/dbraw/zinc/94/10/42/566941042.db2.gz ZYAGWOWKQVENDA-RWSFTLGLSA-N -1 3 385.277 3.096 20 0 GGADHM COC[C@]1(C(=O)[O-])CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000583327941 566941143 /nfs/dbraw/zinc/94/11/43/566941143.db2.gz LTHGVXGMAMWRJD-SFHVURJKSA-N -1 3 393.281 3.311 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000519479671 566941616 /nfs/dbraw/zinc/94/16/16/566941616.db2.gz IPSBYSSSIKABST-JTQLQIEISA-N -1 3 388.854 3.284 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cs1 ZINC000452137863 566941893 /nfs/dbraw/zinc/94/18/93/566941893.db2.gz AVGABMCNBVUUEG-CYBMUJFWSA-N -1 3 394.338 3.464 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429639550 566942243 /nfs/dbraw/zinc/94/22/43/566942243.db2.gz YCSSNDVTCMNUDT-UHFFFAOYSA-N -1 3 379.194 3.414 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1OC(F)F ZINC000429631740 566942850 /nfs/dbraw/zinc/94/28/50/566942850.db2.gz PJMUXNZIQXKFIW-JTQLQIEISA-N -1 3 388.827 3.455 20 0 GGADHM Cc1nccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1Cl ZINC000680952569 566943221 /nfs/dbraw/zinc/94/32/21/566943221.db2.gz YCXGLTVCIMXGKH-UHFFFAOYSA-N -1 3 379.638 3.168 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493130227 566943483 /nfs/dbraw/zinc/94/34/83/566943483.db2.gz GVVFTBXQBQADTF-UWVGGRQHSA-N -1 3 382.707 3.338 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429656666 566944039 /nfs/dbraw/zinc/94/40/39/566944039.db2.gz COZDLZGYDKUXLA-UHFFFAOYSA-N -1 3 379.194 3.414 20 0 GGADHM C[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)cc1 ZINC000429647814 566944337 /nfs/dbraw/zinc/94/43/37/566944337.db2.gz SMRXBXNMXBNMPE-MRVPVSSYSA-N -1 3 389.200 3.089 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c(Cl)c1Cl ZINC000564103467 566944858 /nfs/dbraw/zinc/94/48/58/566944858.db2.gz YLECQBDCEJXZEL-JTQLQIEISA-N -1 3 388.272 3.457 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000564103547 566944937 /nfs/dbraw/zinc/94/49/37/566944937.db2.gz ZMMXGTAVWFFIFD-UHFFFAOYSA-N -1 3 385.507 3.029 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000656739443 566945032 /nfs/dbraw/zinc/94/50/32/566945032.db2.gz XXLWQGLBANQNBE-KRWDZBQOSA-N -1 3 384.885 3.015 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1noc2c1CCCC2 ZINC000564095119 566945741 /nfs/dbraw/zinc/94/57/41/566945741.db2.gz XQPQAKUBHJPRIN-UHFFFAOYSA-N -1 3 375.277 3.480 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000680978251 566945879 /nfs/dbraw/zinc/94/58/79/566945879.db2.gz HVCGTWMCGOKONR-MRVPVSSYSA-N -1 3 390.221 3.467 20 0 GGADHM CCc1nc(C(=O)N=c2[n-]oc(C)c2C)nn1-c1c(Cl)cccc1Cl ZINC000452168859 566946685 /nfs/dbraw/zinc/94/66/85/566946685.db2.gz WWSXRZZNVBSUOD-UHFFFAOYSA-N -1 3 380.235 3.416 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000564111394 566946667 /nfs/dbraw/zinc/94/66/67/566946667.db2.gz WNEZBRAKYGPPBB-GFCCVEGCSA-N -1 3 379.787 3.423 20 0 GGADHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000544189454 566946752 /nfs/dbraw/zinc/94/67/52/566946752.db2.gz GLVFYOMNOIIGHL-IUCAKERBSA-N -1 3 387.807 3.225 20 0 GGADHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000544189452 566946816 /nfs/dbraw/zinc/94/68/16/566946816.db2.gz GLVFYOMNOIIGHL-BDAKNGLRSA-N -1 3 387.807 3.225 20 0 GGADHM C[C@H]1[C@H](NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCCN1C ZINC000471313640 566947794 /nfs/dbraw/zinc/94/77/94/566947794.db2.gz HVJMASNYXKHCKJ-TVQRCGJNSA-N -1 3 383.880 3.024 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)(C)C)s1 ZINC000583398896 566948080 /nfs/dbraw/zinc/94/80/80/566948080.db2.gz OUTHADWCHZIYKS-OAHLLOKOSA-N -1 3 381.523 3.476 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000493543884 566949528 /nfs/dbraw/zinc/94/95/28/566949528.db2.gz KFWUUXWMEMEXOR-ZJUUUORDSA-N -1 3 399.740 3.339 20 0 GGADHM Cc1ncc(CNC(=O)C2(c3cccc(Br)c3)CCCC2)c(=O)[n-]1 ZINC000544263952 566950101 /nfs/dbraw/zinc/95/01/01/566950101.db2.gz PLFQELMSPNPCCT-UHFFFAOYSA-N -1 3 390.281 3.381 20 0 GGADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000471395447 566950048 /nfs/dbraw/zinc/95/00/48/566950048.db2.gz AMCCJUWRNAGIHF-UHFFFAOYSA-N -1 3 381.259 3.478 20 0 GGADHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(C2CC2)c1 ZINC000452193954 566950218 /nfs/dbraw/zinc/95/02/18/566950218.db2.gz KZIBFGMUYLNYJY-ZDUSSCGKSA-N -1 3 378.519 3.171 20 0 GGADHM O=C(NCc1cc(Br)ccc1OC(F)F)c1csc(=O)[n-]1 ZINC000471390658 566950336 /nfs/dbraw/zinc/95/03/36/566950336.db2.gz ZYVFIQHHEAOFTD-UHFFFAOYSA-N -1 3 379.182 3.143 20 0 GGADHM C[C@@H](CNC(=O)CNC(=O)c1cccc([O-])c1)c1c(Cl)cccc1Cl ZINC000471393792 566950779 /nfs/dbraw/zinc/95/07/79/566950779.db2.gz XYDMBAMMNAUZOX-NSHDSACASA-N -1 3 381.259 3.349 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c2nccn21 ZINC000583422617 566950919 /nfs/dbraw/zinc/95/09/19/566950919.db2.gz NVESAXPAYXWHBS-KCJUWKMLSA-N -1 3 390.690 3.283 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000429814733 566951452 /nfs/dbraw/zinc/95/14/52/566951452.db2.gz NCZSMTKBEJLOGN-LLVKDONJSA-N -1 3 395.750 3.113 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)s1 ZINC000583437748 566952274 /nfs/dbraw/zinc/95/22/74/566952274.db2.gz CRIYZZNPZHPWEQ-QWHCGFSZSA-N -1 3 390.546 3.012 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429817247 566952345 /nfs/dbraw/zinc/95/23/45/566952345.db2.gz LISDLCNFVRNVQQ-WCQYABFASA-N -1 3 393.336 3.355 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000429816433 566952386 /nfs/dbraw/zinc/95/23/86/566952386.db2.gz CUAADSZLYFJLQX-GFCCVEGCSA-N -1 3 392.279 3.262 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1cc(Cl)ccc1Br ZINC000429815771 566952557 /nfs/dbraw/zinc/95/25/57/566952557.db2.gz VTJUIURWZMKRQG-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429817248 566952993 /nfs/dbraw/zinc/95/29/93/566952993.db2.gz LISDLCNFVRNVQQ-YPMHNXCESA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)s1 ZINC000583437747 566953243 /nfs/dbraw/zinc/95/32/43/566953243.db2.gz CRIYZZNPZHPWEQ-OLZOCXBDSA-N -1 3 390.546 3.012 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429817245 566953083 /nfs/dbraw/zinc/95/30/83/566953083.db2.gz LISDLCNFVRNVQQ-DGCLKSJQSA-N -1 3 393.336 3.355 20 0 GGADHM O=S(=O)([N-]CCCOCC1CC1)c1cccc(Cl)c1Br ZINC000493633721 566953658 /nfs/dbraw/zinc/95/36/58/566953658.db2.gz HVOQYQPBNNXWQL-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000429826900 566953815 /nfs/dbraw/zinc/95/38/15/566953815.db2.gz HJHLBRZTWNPPCC-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000452234047 566954168 /nfs/dbraw/zinc/95/41/68/566954168.db2.gz BARFDSFWIVTUOM-DMDPSCGWSA-N -1 3 378.416 3.250 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCO1 ZINC000429826903 566954106 /nfs/dbraw/zinc/95/41/06/566954106.db2.gz HJHLBRZTWNPPCC-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1ccc([O-])c(NC(=O)c2cc(I)c(F)cc2F)n1 ZINC000544346232 566954302 /nfs/dbraw/zinc/95/43/02/566954302.db2.gz MZGPVKNLYREHOT-UHFFFAOYSA-N -1 3 390.127 3.231 20 0 GGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429835898 566955632 /nfs/dbraw/zinc/95/56/32/566955632.db2.gz DDHPXZGMAXGLMK-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000429834655 566955686 /nfs/dbraw/zinc/95/56/86/566955686.db2.gz UZAODRLMFHZWRA-UHFFFAOYSA-N -1 3 390.244 3.079 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544348303 566955771 /nfs/dbraw/zinc/95/57/71/566955771.db2.gz GWAUXWNQIOTMFF-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000429833843 566955889 /nfs/dbraw/zinc/95/58/89/566955889.db2.gz UWXHCGCRMKIXKR-CYBMUJFWSA-N -1 3 388.272 3.229 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429836664 566955973 /nfs/dbraw/zinc/95/59/73/566955973.db2.gz JAXQIAVDOHJMMZ-SNVBAGLBSA-N -1 3 384.723 3.180 20 0 GGADHM CS[C@@H](C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)C(C)(C)C ZINC000612143724 566956348 /nfs/dbraw/zinc/95/63/48/566956348.db2.gz HCDWTWNMUOWBPF-MFKMUULPSA-N -1 3 378.585 3.001 20 0 GGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544348614 566956171 /nfs/dbraw/zinc/95/61/71/566956171.db2.gz QTITYZQFOCBZQC-CABZTGNLSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544348259 566956308 /nfs/dbraw/zinc/95/63/08/566956308.db2.gz LMBJSQDVWDJQEF-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000429839571 566956496 /nfs/dbraw/zinc/95/64/96/566956496.db2.gz SNIGZUVONCBNET-CYBMUJFWSA-N -1 3 378.252 3.014 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)OC ZINC000544347389 566956480 /nfs/dbraw/zinc/95/64/80/566956480.db2.gz GHYQBUKMPBGTAS-LLVKDONJSA-N -1 3 398.706 3.113 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000519664323 566956665 /nfs/dbraw/zinc/95/66/65/566956665.db2.gz IYJNFZCSQPYXOH-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CS[C@@H](C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(C)(C)C ZINC000612143722 566956676 /nfs/dbraw/zinc/95/66/76/566956676.db2.gz HCDWTWNMUOWBPF-GWCFXTLKSA-N -1 3 378.585 3.001 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCOCC1 ZINC000493877389 566956896 /nfs/dbraw/zinc/95/68/96/566956896.db2.gz ZZSPVFJVRWUYSS-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1cccc(Cl)c1Br ZINC000493848760 566956925 /nfs/dbraw/zinc/95/69/25/566956925.db2.gz SYZLFTBSUNZACG-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)c(F)c1 ZINC000544349821 566956993 /nfs/dbraw/zinc/95/69/93/566956993.db2.gz RYQPBXUHXYTTHS-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C(CC)CC)cc1F ZINC000519662796 566957022 /nfs/dbraw/zinc/95/70/22/566957022.db2.gz LLTQNFZZYOWVAS-UHFFFAOYSA-N -1 3 394.534 3.177 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1cccc(Cl)c1Br ZINC000493873550 566957421 /nfs/dbraw/zinc/95/74/21/566957421.db2.gz MNHFXKFVHLZFOJ-GFCCVEGCSA-N -1 3 396.734 3.322 20 0 GGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000493824635 566957440 /nfs/dbraw/zinc/95/74/40/566957440.db2.gz SXOSUWVXURVPTH-OCCSQVGLSA-N -1 3 393.958 3.175 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCN1Cc1ccccc1 ZINC000429851111 566957856 /nfs/dbraw/zinc/95/78/56/566957856.db2.gz WZTZDVKSNIVARC-HNNXBMFYSA-N -1 3 399.299 3.073 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCC2=CCCCC2)cc(C(F)(F)F)c1 ZINC000452289228 566958415 /nfs/dbraw/zinc/95/84/15/566958415.db2.gz BELDWKHFFZBLIK-UHFFFAOYSA-N -1 3 376.400 3.307 20 0 GGADHM O=C1NCCN(Cc2cc([O-])ccc2Br)[C@H]1c1ccccc1Cl ZINC000544369887 566958190 /nfs/dbraw/zinc/95/81/90/566958190.db2.gz SUWWEMGGKMBOPF-INIZCTEOSA-N -1 3 395.684 3.481 20 0 GGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429853834 566958551 /nfs/dbraw/zinc/95/85/51/566958551.db2.gz MBYFPQIMQOOLJO-SNVBAGLBSA-N -1 3 389.702 3.407 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCOCC1 ZINC000493890458 566958738 /nfs/dbraw/zinc/95/87/38/566958738.db2.gz DSTSGPYLKWUYMT-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493884235 566958753 /nfs/dbraw/zinc/95/87/53/566958753.db2.gz XDVJMLKUJWOTBS-ONGXEEELSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493884234 566958956 /nfs/dbraw/zinc/95/89/56/566958956.db2.gz XDVJMLKUJWOTBS-MWLCHTKSSA-N -1 3 382.707 3.196 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)c3ccc(Cl)cc3)cc2C1 ZINC000656864242 566959150 /nfs/dbraw/zinc/95/91/50/566959150.db2.gz YWCAXXNUPDDNFT-NSHDSACASA-N -1 3 398.937 3.346 20 0 GGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471555526 566959179 /nfs/dbraw/zinc/95/91/79/566959179.db2.gz NVNBOHBLQNODMD-QMTHXVAHSA-N -1 3 378.416 3.385 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429859721 566959389 /nfs/dbraw/zinc/95/93/89/566959389.db2.gz MVQMJSVCAHJTES-SNVBAGLBSA-N -1 3 382.707 3.338 20 0 GGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1(C)C ZINC000429862982 566959564 /nfs/dbraw/zinc/95/95/64/566959564.db2.gz CAAGKHTUTAIZDA-VXGBXAGGSA-N -1 3 382.707 3.194 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000429859714 566959585 /nfs/dbraw/zinc/95/95/85/566959585.db2.gz JUSDYWRWXMDVNL-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471555528 566959643 /nfs/dbraw/zinc/95/96/43/566959643.db2.gz NVNBOHBLQNODMD-YGRLFVJLSA-N -1 3 378.416 3.385 20 0 GGADHM O=c1[nH]c2ccccc2n1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429861337 566959873 /nfs/dbraw/zinc/95/98/73/566959873.db2.gz OWQCSQPURPMJPF-UHFFFAOYSA-N -1 3 386.260 3.027 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1ccc(Cl)cc1Cl ZINC000429860852 566959996 /nfs/dbraw/zinc/95/99/96/566959996.db2.gz QKZGLOUCFJCGKX-UHFFFAOYSA-N -1 3 391.345 3.392 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000493917638 566960009 /nfs/dbraw/zinc/96/00/09/566960009.db2.gz SVBAHINNOWSEQT-QAPCUYQASA-N -1 3 385.913 3.365 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC[C@@H]1O ZINC000493917641 566960289 /nfs/dbraw/zinc/96/02/89/566960289.db2.gz SVKXVZIBRUWQER-JSGCOSHPSA-N -1 3 396.734 3.322 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 ZINC000493917156 566960512 /nfs/dbraw/zinc/96/05/12/566960512.db2.gz PJFWSKVUNZRGAR-ZETCQYMHSA-N -1 3 382.795 3.079 20 0 GGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429867693 566960696 /nfs/dbraw/zinc/96/06/96/566960696.db2.gz NVQVLNRUFOFIOA-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429871706 566960770 /nfs/dbraw/zinc/96/07/70/566960770.db2.gz LPFSURMSGZBEGV-UHFFFAOYSA-N -1 3 381.325 3.213 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO[C@@H]1C1CC1 ZINC000493896907 566961108 /nfs/dbraw/zinc/96/11/08/566961108.db2.gz KBNCTVNIIHVIGA-KGLIPLIRSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3cc(F)ccc3Cl)CCCCC2)no1 ZINC000656871520 566961227 /nfs/dbraw/zinc/96/12/27/566961227.db2.gz NIWXMISILGVHBQ-UHFFFAOYSA-N -1 3 387.864 3.450 20 0 GGADHM C[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1 ZINC000471576658 566961489 /nfs/dbraw/zinc/96/14/89/566961489.db2.gz DPZDLGKHXFVXDS-GFCCVEGCSA-N -1 3 387.910 3.289 20 0 GGADHM CCOc1cc([C@H]2NC(=O)c3cccc(OC)c3O2)cc(Br)c1[O-] ZINC000612275720 566961678 /nfs/dbraw/zinc/96/16/78/566961678.db2.gz MBGLDJBNTHVOCD-KRWDZBQOSA-N -1 3 394.221 3.383 20 0 GGADHM Cn1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471585366 566962193 /nfs/dbraw/zinc/96/21/93/566962193.db2.gz KQKALDKZXGNIJJ-UHFFFAOYSA-N -1 3 381.654 3.059 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471581812 566962329 /nfs/dbraw/zinc/96/23/29/566962329.db2.gz QTWCTSNXNUYZJM-PHIMTYICSA-N -1 3 378.416 3.195 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493923437 566962437 /nfs/dbraw/zinc/96/24/37/566962437.db2.gz BMHMWGFEBYJXED-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)OC ZINC000493933171 566962734 /nfs/dbraw/zinc/96/27/34/566962734.db2.gz CWWRXKQIGYNISZ-SNVBAGLBSA-N -1 3 398.706 3.113 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471581811 566962942 /nfs/dbraw/zinc/96/29/42/566962942.db2.gz QTWCTSNXNUYZJM-GHMZBOCLSA-N -1 3 378.416 3.195 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471581813 566962991 /nfs/dbraw/zinc/96/29/91/566962991.db2.gz QTWCTSNXNUYZJM-QWRGUYRKSA-N -1 3 378.416 3.195 20 0 GGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nc3ccc(Br)cc3n2C)C1 ZINC000583570527 566962940 /nfs/dbraw/zinc/96/29/40/566962940.db2.gz VNAQTHUOIDYGFN-KRWDZBQOSA-N -1 3 380.286 3.269 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493943469 566963516 /nfs/dbraw/zinc/96/35/16/566963516.db2.gz DDDCQWFLUTYQFG-UHFFFAOYSA-N -1 3 393.734 3.033 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCO1 ZINC000493959958 566963549 /nfs/dbraw/zinc/96/35/49/566963549.db2.gz IFNSJSWRWLMPED-GHMZBOCLSA-N -1 3 382.707 3.338 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000681260337 566963820 /nfs/dbraw/zinc/96/38/20/566963820.db2.gz WBAGVVIYGQLYOS-LBPRGKRZSA-N -1 3 383.844 3.221 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1ccc(Cl)cc1Cl ZINC000429891519 566964259 /nfs/dbraw/zinc/96/42/59/566964259.db2.gz RHXAKJYPTGIBOF-UHFFFAOYSA-N -1 3 383.203 3.468 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)OC ZINC000429887957 566964280 /nfs/dbraw/zinc/96/42/80/566964280.db2.gz RJYAADXNZBPYRM-NSHDSACASA-N -1 3 398.706 3.113 20 0 GGADHM CCCC1CCC([N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CC1 ZINC000656882412 566964433 /nfs/dbraw/zinc/96/44/33/566964433.db2.gz BPYQPJDCXMEXCG-UHFFFAOYSA-N -1 3 384.567 3.290 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429898551 566964518 /nfs/dbraw/zinc/96/45/18/566964518.db2.gz ONCDCVFPGGNUQR-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CN(C)c1cccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000471602228 566964720 /nfs/dbraw/zinc/96/47/20/566964720.db2.gz NSNGQQSBUJAUSF-OAHLLOKOSA-N -1 3 376.375 3.474 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)OC ZINC000429887956 566964854 /nfs/dbraw/zinc/96/48/54/566964854.db2.gz RJYAADXNZBPYRM-LLVKDONJSA-N -1 3 398.706 3.113 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCN1C ZINC000471614257 566965916 /nfs/dbraw/zinc/96/59/16/566965916.db2.gz TXUGNVAFRKAGMZ-BDAKNGLRSA-N -1 3 399.713 3.003 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000429902111 566966328 /nfs/dbraw/zinc/96/63/28/566966328.db2.gz LARUVRBPPDYHAL-NSHDSACASA-N -1 3 399.299 3.203 20 0 GGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1cc(Cl)ccc1Br ZINC000429914688 566966400 /nfs/dbraw/zinc/96/64/00/566966400.db2.gz SNOMSRNFOWSDKU-LLVKDONJSA-N -1 3 382.707 3.340 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCCOC(C)C ZINC000564347239 566967104 /nfs/dbraw/zinc/96/71/04/566967104.db2.gz HAEQZLORXCGHDM-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM COc1ccc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000429917523 566967881 /nfs/dbraw/zinc/96/78/81/566967881.db2.gz CUIVMBSNIJNRAQ-UHFFFAOYSA-N -1 3 389.253 3.191 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1)C1CCCC1 ZINC000656896950 566968540 /nfs/dbraw/zinc/96/85/40/566968540.db2.gz JTYRKXXULWDVHI-IRXDYDNUSA-N -1 3 380.535 3.357 20 0 GGADHM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656895400 566968608 /nfs/dbraw/zinc/96/86/08/566968608.db2.gz YSDTXCIJMNBIJV-GOEBONIOSA-N -1 3 384.567 3.290 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccccc1Cl ZINC000429947109 566969142 /nfs/dbraw/zinc/96/91/42/566969142.db2.gz KVWDVRUHCJMRLA-UHFFFAOYSA-N -1 3 379.645 3.494 20 0 GGADHM Cc1ccc(CSCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000494055331 566969626 /nfs/dbraw/zinc/96/96/26/566969626.db2.gz SZGNGWYYEKCYNV-UHFFFAOYSA-N -1 3 382.482 3.378 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1nc(C2CC2)cs1 ZINC000429952150 566969909 /nfs/dbraw/zinc/96/99/09/566969909.db2.gz JQQQYSLPMLNEPL-UHFFFAOYSA-N -1 3 392.282 3.174 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429963899 566970335 /nfs/dbraw/zinc/97/03/35/566970335.db2.gz BIYXCRGSLSXPSO-SNVBAGLBSA-N -1 3 389.445 3.402 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471692034 566970633 /nfs/dbraw/zinc/97/06/33/566970633.db2.gz FXWYTQOIICWZBP-ZWNOBZJWSA-N -1 3 378.416 3.385 20 0 GGADHM COc1ncccc1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000564382337 566970877 /nfs/dbraw/zinc/97/08/77/566970877.db2.gz WDHRXYUENRPUQJ-UHFFFAOYSA-N -1 3 394.802 3.283 20 0 GGADHM Cc1csc([C@H](C)CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)n1 ZINC000429969773 566970958 /nfs/dbraw/zinc/97/09/58/566970958.db2.gz IQYCPNSBDOVVGQ-SECBINFHSA-N -1 3 394.298 3.209 20 0 GGADHM Cc1cnc(C(C)(C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429955214 566971000 /nfs/dbraw/zinc/97/10/00/566971000.db2.gz YTAPZPPBFHCKPU-UHFFFAOYSA-N -1 3 394.298 3.340 20 0 GGADHM Cc1cc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1F ZINC000429955308 566971490 /nfs/dbraw/zinc/97/14/90/566971490.db2.gz ZMMQEXJPVRCEBL-UHFFFAOYSA-N -1 3 377.217 3.288 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429963895 566971573 /nfs/dbraw/zinc/97/15/73/566971573.db2.gz BIYXCRGSLSXPSO-JTQLQIEISA-N -1 3 389.445 3.402 20 0 GGADHM O=C(NCCCc1ccc(Cl)cc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000471708308 566972717 /nfs/dbraw/zinc/97/27/17/566972717.db2.gz BZZUNUQBFCYUDW-UHFFFAOYSA-N -1 3 377.227 3.240 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@H]1c1ccco1 ZINC000429977480 566973178 /nfs/dbraw/zinc/97/31/78/566973178.db2.gz XTJVTXKRUYDUSH-CYBMUJFWSA-N -1 3 375.226 3.481 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000429978262 566973358 /nfs/dbraw/zinc/97/33/58/566973358.db2.gz WPZOSRWHDBMDQQ-SECBINFHSA-N -1 3 384.242 3.171 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000656921867 566975102 /nfs/dbraw/zinc/97/51/02/566975102.db2.gz QLOQMHUISGLZEP-LLVKDONJSA-N -1 3 380.329 3.022 20 0 GGADHM CN(C[C@H]1CCCN(C)C1)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000544637661 566975244 /nfs/dbraw/zinc/97/52/44/566975244.db2.gz KNANTFYFZHVLDB-LBPRGKRZSA-N -1 3 379.917 3.086 20 0 GGADHM Cc1cccc(CN(CC(C)C)C(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000519887304 566977307 /nfs/dbraw/zinc/97/73/07/566977307.db2.gz FWEKQLOLJLWKTM-UHFFFAOYSA-N -1 3 380.535 3.020 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@]1(C)CCCO1 ZINC000656932701 566978643 /nfs/dbraw/zinc/97/86/43/566978643.db2.gz XIPBYHHABSHOCG-HNNXBMFYSA-N -1 3 392.315 3.085 20 0 GGADHM Cc1cnc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)s1 ZINC000471784688 566978768 /nfs/dbraw/zinc/97/87/68/566978768.db2.gz BQOHQQQBLABKAY-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM COc1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c(Br)c1[O-] ZINC000564514034 566981131 /nfs/dbraw/zinc/98/11/31/566981131.db2.gz SEMLDWFXTNGLDD-LBPRGKRZSA-N -1 3 386.286 3.469 20 0 GGADHM O=C(Cc1c(F)cccc1Cl)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430099335 566981426 /nfs/dbraw/zinc/98/14/26/566981426.db2.gz DZZIRNSRLVZYFL-UHFFFAOYSA-N -1 3 382.620 3.492 20 0 GGADHM O=C([N-]c1nnc2ccc(Br)cn21)c1cnc([C@@H]2CCCO2)s1 ZINC000452458511 566982850 /nfs/dbraw/zinc/98/28/50/566982850.db2.gz BLTANEWGQIHRNQ-VIFPVBQESA-N -1 3 394.254 3.052 20 0 GGADHM O=C(C[C@H]1OCCc2ccccc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430110024 566983416 /nfs/dbraw/zinc/98/34/16/566983416.db2.gz GHFMXYLPLAVFFU-MRXNPFEDSA-N -1 3 386.249 3.161 20 0 GGADHM CC(C)O[C@]1(C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CCOC1 ZINC000583793530 566983748 /nfs/dbraw/zinc/98/37/48/566983748.db2.gz OQBNGDBBDRRSKJ-MRXNPFEDSA-N -1 3 385.251 3.301 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1csc(-c2ccoc2)n1 ZINC000430117283 566985103 /nfs/dbraw/zinc/98/51/03/566985103.db2.gz YXEAVCSVXPGDJQ-UHFFFAOYSA-N -1 3 389.234 3.488 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1cncc(Br)c1 ZINC000520124836 566986047 /nfs/dbraw/zinc/98/60/47/566986047.db2.gz IJCLOZRKTHPURL-AWEZNQCLSA-N -1 3 387.686 3.463 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Cl)c1cncc(Br)c1 ZINC000520124837 566986689 /nfs/dbraw/zinc/98/66/89/566986689.db2.gz IJCLOZRKTHPURL-CQSZACIVSA-N -1 3 387.686 3.463 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)cc2C1 ZINC000656973152 566987656 /nfs/dbraw/zinc/98/76/56/566987656.db2.gz XJQZNJYXAJYLBK-JTQLQIEISA-N -1 3 398.472 3.052 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)c1nc(C(F)(F)F)cs1)C1CCCC1 ZINC000656975375 566987892 /nfs/dbraw/zinc/98/78/92/566987892.db2.gz LYNRIPKRTSHTNG-GXSJLCMTSA-N -1 3 386.461 3.348 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)c2nccn21 ZINC000583853506 566988342 /nfs/dbraw/zinc/98/83/42/566988342.db2.gz IQXPBTOLFNHURG-PSASIEDQSA-N -1 3 390.690 3.283 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)CCCC1 ZINC000583844548 566988624 /nfs/dbraw/zinc/98/86/24/566988624.db2.gz OUHPDOWIBSMZHL-UHFFFAOYSA-N -1 3 380.491 3.285 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC[C@H]2CCCO2)c1 ZINC000583853363 566988739 /nfs/dbraw/zinc/98/87/39/566988739.db2.gz GWXFADRGSSRQSG-MRXNPFEDSA-N -1 3 381.519 3.401 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000544729298 566988771 /nfs/dbraw/zinc/98/87/71/566988771.db2.gz HCHAKFZVXMUKMU-LURJTMIESA-N -1 3 383.829 3.141 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)cnc2c1Cl ZINC000494325832 566988938 /nfs/dbraw/zinc/98/89/38/566988938.db2.gz DHJUXKOTJSAUHL-MRVPVSSYSA-N -1 3 384.811 3.091 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@H]3CCC[C@@H](C)[C@H]3C)cc2C1 ZINC000656978093 566989606 /nfs/dbraw/zinc/98/96/06/566989606.db2.gz DPIAZIIDPKRPIK-NFAWXSAZSA-N -1 3 384.567 3.003 20 0 GGADHM O=C([N-]c1ccncc1Br)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000494343637 566989802 /nfs/dbraw/zinc/98/98/02/566989802.db2.gz QCRFWAPTMDROSW-UHFFFAOYSA-N -1 3 386.205 3.108 20 0 GGADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000471971041 566990760 /nfs/dbraw/zinc/99/07/60/566990760.db2.gz RKHZZCNRWXKCMM-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM COc1ccc2nc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)ccc2c1 ZINC000430147866 566990790 /nfs/dbraw/zinc/99/07/90/566990790.db2.gz QDLAGWKDLRIRJU-UHFFFAOYSA-N -1 3 397.232 3.328 20 0 GGADHM CC[C@@H](C)[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000564595567 566990973 /nfs/dbraw/zinc/99/09/73/566990973.db2.gz NSEVGENDXWXWPA-MNOVXSKESA-N -1 3 381.325 3.070 20 0 GGADHM COc1cccc(SCC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000430143006 566990935 /nfs/dbraw/zinc/99/09/35/566990935.db2.gz DKLNOVGIKUGVMJ-UHFFFAOYSA-N -1 3 392.278 3.258 20 0 GGADHM COc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1Cl ZINC000430145603 566991472 /nfs/dbraw/zinc/99/14/72/566991472.db2.gz JKFOOFYVUDTSNH-UHFFFAOYSA-N -1 3 380.629 3.433 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO)C1CCCCC1 ZINC000656990976 566992284 /nfs/dbraw/zinc/99/22/84/566992284.db2.gz QFAKSQCDQVWZGL-NVXWUHKLSA-N -1 3 389.583 3.322 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)OCCc2sccc21 ZINC000656991457 566992399 /nfs/dbraw/zinc/99/23/99/566992399.db2.gz VOOKKPQRGGXIQM-MRXNPFEDSA-N -1 3 389.901 3.448 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)ccc1F ZINC000564618422 566992824 /nfs/dbraw/zinc/99/28/24/566992824.db2.gz UZLLUAHVIVNPLC-LLVKDONJSA-N -1 3 388.873 3.329 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)s1 ZINC000583890470 566993125 /nfs/dbraw/zinc/99/31/25/566993125.db2.gz NAXYFUOWWLCVJL-JSGCOSHPSA-N -1 3 379.555 3.193 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656995580 566993646 /nfs/dbraw/zinc/99/36/46/566993646.db2.gz GCVICOSTDOWDAW-UHFFFAOYSA-N -1 3 391.262 3.067 20 0 GGADHM O=S(=O)([N-]Cc1nc(C23CC4CC(CC(C4)C2)C3)no1)c1cccs1 ZINC000520273985 566993868 /nfs/dbraw/zinc/99/38/68/566993868.db2.gz NXFGFZANXLUNOX-UHFFFAOYSA-N -1 3 379.507 3.077 20 0 GGADHM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656998514 566994448 /nfs/dbraw/zinc/99/44/48/566994448.db2.gz BPLMSRPNUYBOLQ-LSDHHAIUSA-N -1 3 384.567 3.147 20 0 GGADHM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656998512 566994485 /nfs/dbraw/zinc/99/44/85/566994485.db2.gz BPLMSRPNUYBOLQ-HUUCEWRRSA-N -1 3 384.567 3.147 20 0 GGADHM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656998507 566994498 /nfs/dbraw/zinc/99/44/98/566994498.db2.gz BPLMSRPNUYBOLQ-CABCVRRESA-N -1 3 384.567 3.147 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)s1 ZINC000494373446 566995358 /nfs/dbraw/zinc/99/53/58/566995358.db2.gz YVJAFAQXGDORJB-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)O ZINC000657004155 566995824 /nfs/dbraw/zinc/99/58/24/566995824.db2.gz XZOXSABZBROVSA-LLVKDONJSA-N -1 3 394.331 3.066 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(=O)[n-]1 ZINC000564650015 566996283 /nfs/dbraw/zinc/99/62/83/566996283.db2.gz HQGFLDLNCJFECP-CTYIDZIISA-N -1 3 390.281 3.166 20 0 GGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cnc2nccnc2c1 ZINC000544818529 566996815 /nfs/dbraw/zinc/99/68/15/566996815.db2.gz LFTCGXIPIUYWLH-UHFFFAOYSA-N -1 3 386.487 3.482 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CCOC ZINC000657012883 566997300 /nfs/dbraw/zinc/99/73/00/566997300.db2.gz KUOVCWFAEUAFEY-LBPRGKRZSA-N -1 3 394.331 3.189 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1SCCc2ccccc21 ZINC000430172498 566997378 /nfs/dbraw/zinc/99/73/78/566997378.db2.gz XOKQVZNMEHDZIF-INIZCTEOSA-N -1 3 388.290 3.488 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)Cc1cc(F)ccc1Br)OCC1CC1 ZINC000657013463 566997826 /nfs/dbraw/zinc/99/78/26/566997826.db2.gz UGNQANQQZADJTR-UHFFFAOYSA-N -1 3 394.306 3.213 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)O1 ZINC000657009631 566998044 /nfs/dbraw/zinc/99/80/44/566998044.db2.gz QRKAVAHFDAYAPC-WCQYABFASA-N -1 3 392.315 3.084 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1)C1CCCC1 ZINC000657007664 566998112 /nfs/dbraw/zinc/99/81/12/566998112.db2.gz KJZDPCRXTAXAPF-NVXWUHKLSA-N -1 3 387.567 3.076 20 0 GGADHM CC(=O)c1cc(Br)ccc1OCC(=O)Nc1nc(C)ccc1[O-] ZINC000583950773 566998371 /nfs/dbraw/zinc/99/83/71/566998371.db2.gz WBAFCNYMTDVBAC-UHFFFAOYSA-N -1 3 379.210 3.078 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2ccccc2Br)ccc1[O-] ZINC000430181720 566998672 /nfs/dbraw/zinc/99/86/72/566998672.db2.gz UTIUQHAEIPZGFQ-CYBMUJFWSA-N -1 3 378.266 3.044 20 0 GGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000430181687 566999168 /nfs/dbraw/zinc/99/91/68/566999168.db2.gz WLMPJSXSPXXEOO-AWEZNQCLSA-N -1 3 378.266 3.044 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000657019375 566999107 /nfs/dbraw/zinc/99/91/07/566999107.db2.gz ZVGDKMGPEMFUIR-BDAKNGLRSA-N -1 3 384.242 3.156 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000657019376 566999173 /nfs/dbraw/zinc/99/91/73/566999173.db2.gz ZVGDKMGPEMFUIR-DTWKUNHWSA-N -1 3 384.242 3.156 20 0 GGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C3(C(F)(F)F)CCOCC3)cc(Cl)c2O1 ZINC000544838835 566999215 /nfs/dbraw/zinc/99/92/15/566999215.db2.gz DCSGEHLESVYACN-SECBINFHSA-N -1 3 399.818 3.053 20 0 GGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000494423883 566999934 /nfs/dbraw/zinc/99/99/34/566999934.db2.gz HGTYGFLLZOXUBQ-UHFFFAOYSA-N -1 3 384.723 3.322 20 0 GGADHM CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000472092099 566999970 /nfs/dbraw/zinc/99/99/70/566999970.db2.gz AKXHONZOEXCLIT-CJNGLKHVSA-N -1 3 391.530 3.112 20 0 GGADHM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(SC)ccc1[O-] ZINC000612864314 567001440 /nfs/dbraw/zinc/00/14/40/567001440.db2.gz BZRRYDCDUUTLFH-ZDUSSCGKSA-N -1 3 379.503 3.096 20 0 GGADHM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(SC)ccc1[O-] ZINC000612864313 567001629 /nfs/dbraw/zinc/00/16/29/567001629.db2.gz BZRRYDCDUUTLFH-CYBMUJFWSA-N -1 3 379.503 3.096 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c(Br)c1 ZINC000494482864 567003227 /nfs/dbraw/zinc/00/32/27/567003227.db2.gz GMGHBNFMEDTBLY-UHFFFAOYSA-N -1 3 376.663 3.189 20 0 GGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000520394517 567003456 /nfs/dbraw/zinc/00/34/56/567003456.db2.gz OBQVEKQKXKJEJA-CYBMUJFWSA-N -1 3 375.266 3.472 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](C)CSc1ccccc1OC ZINC000472118165 567003504 /nfs/dbraw/zinc/00/35/04/567003504.db2.gz QUSQTAMWVYRSET-GFCCVEGCSA-N -1 3 387.548 3.472 20 0 GGADHM C[N-]S(=O)(=O)c1cc(-c2nc(CSc3ccc(Cl)cc3)no2)c(C)o1 ZINC000544908928 567005952 /nfs/dbraw/zinc/00/59/52/567005952.db2.gz IEGBOZKYINFSEX-UHFFFAOYSA-N -1 3 399.881 3.492 20 0 GGADHM O=S(=O)([N-][C@]12C[C@H]1CCC2)c1ccc(Br)cc1Br ZINC000657049279 567007205 /nfs/dbraw/zinc/00/72/05/567007205.db2.gz DFIOVYSKDDUEOE-PRHODGIISA-N -1 3 395.116 3.433 20 0 GGADHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(OC)c([O-])c1Br ZINC000544927222 567007588 /nfs/dbraw/zinc/00/75/88/567007588.db2.gz AKISZZHHMPOWJC-GJZGRUSLSA-N -1 3 399.329 3.385 20 0 GGADHM CC[C@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCS1 ZINC000472201365 567007966 /nfs/dbraw/zinc/00/79/66/567007966.db2.gz YTCAYWIUNGPDFM-ZDUSSCGKSA-N -1 3 396.456 3.045 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCN(C(C)(C)C)C3)s2)cs1 ZINC000657063461 567008602 /nfs/dbraw/zinc/00/86/02/567008602.db2.gz XVAHPIYXCZBRGH-GFCCVEGCSA-N -1 3 385.580 3.331 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520507972 567009092 /nfs/dbraw/zinc/00/90/92/567009092.db2.gz WBKGTQDAAMZOBU-CABCVRRESA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520507972 567009097 /nfs/dbraw/zinc/00/90/97/567009097.db2.gz WBKGTQDAAMZOBU-CABCVRRESA-N -1 3 384.237 3.371 20 0 GGADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000657060476 567009470 /nfs/dbraw/zinc/00/94/70/567009470.db2.gz GDJHJLKDPUAIMJ-JTQLQIEISA-N -1 3 395.750 3.254 20 0 GGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000472207478 567009994 /nfs/dbraw/zinc/00/99/94/567009994.db2.gz CLRJTSYURADREJ-UHFFFAOYSA-N -1 3 384.723 3.322 20 0 GGADHM COC(=O)c1c(C)[nH]c(C(=O)Nc2c([O-])ccc(Br)c2C)c1C ZINC000452744138 567010197 /nfs/dbraw/zinc/01/01/97/567010197.db2.gz BVRLPOCRIRWONX-UHFFFAOYSA-N -1 3 381.226 3.447 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000452746067 567010409 /nfs/dbraw/zinc/01/04/09/567010409.db2.gz FSUFOZCGWYMNBZ-LLVKDONJSA-N -1 3 381.270 3.193 20 0 GGADHM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1Cl ZINC000494601926 567011573 /nfs/dbraw/zinc/01/15/73/567011573.db2.gz MWTQDHUBASORHA-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM COc1ccccc1SCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000494599823 567011643 /nfs/dbraw/zinc/01/16/43/567011643.db2.gz OOHISHJUGTYGHJ-UHFFFAOYSA-N -1 3 380.491 3.106 20 0 GGADHM COCCOc1cc(C(=O)Nc2c([O-])ccc(Br)c2C)ccn1 ZINC000452749705 567011794 /nfs/dbraw/zinc/01/17/94/567011794.db2.gz CTPJAMGAOOBWMU-UHFFFAOYSA-N -1 3 381.226 3.136 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000452746595 567012544 /nfs/dbraw/zinc/01/25/44/567012544.db2.gz GRMFLTKXMHIVAX-LLVKDONJSA-N -1 3 383.286 3.487 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N[C@H](CC(C)C)C1 ZINC000452750391 567012624 /nfs/dbraw/zinc/01/26/24/567012624.db2.gz FMQIMOHYDZYNAJ-VXGBXAGGSA-N -1 3 383.286 3.343 20 0 GGADHM O=S(=O)([N-]C[C@H](OC1CCCC1)C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000657082710 567012818 /nfs/dbraw/zinc/01/28/18/567012818.db2.gz PISCDGGQGHJXDC-XHSDSOJGSA-N -1 3 377.428 3.352 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C(C)(C)C1 ZINC000472260175 567012833 /nfs/dbraw/zinc/01/28/33/567012833.db2.gz OFEYBDJIPOGQBL-JTQLQIEISA-N -1 3 378.416 3.338 20 0 GGADHM C[C@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C(C)(C)C1 ZINC000472260176 567012920 /nfs/dbraw/zinc/01/29/20/567012920.db2.gz OFEYBDJIPOGQBL-SNVBAGLBSA-N -1 3 378.416 3.338 20 0 GGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472262093 567013258 /nfs/dbraw/zinc/01/32/58/567013258.db2.gz SYDANQVTHKVKMO-QMTHXVAHSA-N -1 3 378.416 3.338 20 0 GGADHM CC1(C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCS1 ZINC000472275352 567013901 /nfs/dbraw/zinc/01/39/01/567013901.db2.gz KYXBASYKWSAXLX-UHFFFAOYSA-N -1 3 396.456 3.045 20 0 GGADHM O=S(=O)([N-][C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1c[nH]cn1 ZINC000494614621 567013893 /nfs/dbraw/zinc/01/38/93/567013893.db2.gz ULYPDKAUBOHHEO-ZDUSSCGKSA-N -1 3 388.262 3.131 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CNC(=O)CC1CCCCC1 ZINC000452757183 567013843 /nfs/dbraw/zinc/01/38/43/567013843.db2.gz PWJUCSJMXZVXLX-UHFFFAOYSA-N -1 3 383.286 3.488 20 0 GGADHM Cc1ccc(-c2cc(-c3nc(Cn4cc(Br)cn4)no3)n[n-]2)o1 ZINC000545011356 567013856 /nfs/dbraw/zinc/01/38/56/567013856.db2.gz QTLAGBYIJAAENA-UHFFFAOYSA-N -1 3 375.186 3.035 20 0 GGADHM Cc1ccc(-c2cc(-c3nc(Cn4cc(Br)cn4)no3)[n-]n2)o1 ZINC000545011356 567013867 /nfs/dbraw/zinc/01/38/67/567013867.db2.gz QTLAGBYIJAAENA-UHFFFAOYSA-N -1 3 375.186 3.035 20 0 GGADHM Cc1nnc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])s1 ZINC000430413502 567013980 /nfs/dbraw/zinc/01/39/80/567013980.db2.gz ZQYMCYIOAMEWMF-UHFFFAOYSA-N -1 3 399.657 3.356 20 0 GGADHM CCn1nccc1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430413526 567014314 /nfs/dbraw/zinc/01/43/14/567014314.db2.gz ZRZNGZGRERPFLV-UHFFFAOYSA-N -1 3 395.644 3.413 20 0 GGADHM NC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Cl)cc1Cl ZINC000584126799 567014392 /nfs/dbraw/zinc/01/43/92/567014392.db2.gz YPSFDSKUDXXLKI-UHFFFAOYSA-N -1 3 381.187 3.171 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CSc1nncn1C(C)C ZINC000452760201 567015080 /nfs/dbraw/zinc/01/50/80/567015080.db2.gz VHOYROPXKIWLJA-UHFFFAOYSA-N -1 3 385.287 3.366 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(N2CCCC2)n1 ZINC000452759298 567015117 /nfs/dbraw/zinc/01/51/17/567015117.db2.gz ULOGXSXHSUEWRI-UHFFFAOYSA-N -1 3 377.242 3.106 20 0 GGADHM CCCC(=O)N1CCC(C(=O)Nc2c([O-])ccc(Br)c2C)CC1 ZINC000452760966 567015564 /nfs/dbraw/zinc/01/55/64/567015564.db2.gz WYUSJZRYGNYWQO-UHFFFAOYSA-N -1 3 383.286 3.440 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc(OC)c1 ZINC000657109472 567016087 /nfs/dbraw/zinc/01/60/87/567016087.db2.gz USYYMBBNFIXGFZ-GFCCVEGCSA-N -1 3 395.424 3.442 20 0 GGADHM CC[C@@H]1C[C@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000452783182 567016512 /nfs/dbraw/zinc/01/65/12/567016512.db2.gz ZZFFHDAFMJRQED-NEPJUHHUSA-N -1 3 384.548 3.064 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCC1 ZINC000472313150 567016952 /nfs/dbraw/zinc/01/69/52/567016952.db2.gz DJZJYKMWRRCYLS-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000520665445 567017112 /nfs/dbraw/zinc/01/71/12/567017112.db2.gz NHQHJMNVGIITJV-ZDUSSCGKSA-N -1 3 385.835 3.434 20 0 GGADHM CCCC1(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000472302741 567017109 /nfs/dbraw/zinc/01/71/09/567017109.db2.gz WNLUXRBWZWFSNZ-UHFFFAOYSA-N -1 3 378.416 3.387 20 0 GGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000472312413 567017305 /nfs/dbraw/zinc/01/73/05/567017305.db2.gz DSSGHVBIBICIOW-ZETCQYMHSA-N -1 3 395.238 3.152 20 0 GGADHM C[C@@H]1CC[C@H](N(C)C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000430468423 567017323 /nfs/dbraw/zinc/01/73/23/567017323.db2.gz GBKGMGKRPREWOU-NEPJUHHUSA-N -1 3 393.336 3.309 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)OC ZINC000520664967 567017416 /nfs/dbraw/zinc/01/74/16/567017416.db2.gz PCMAXQNIRIFHTM-CQSZACIVSA-N -1 3 384.281 3.012 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccc(OC)c1 ZINC000657109640 567017500 /nfs/dbraw/zinc/01/75/00/567017500.db2.gz VGPLLJUVJOQTGD-QGZVFWFLSA-N -1 3 387.860 3.295 20 0 GGADHM C[C@@H]1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)C1 ZINC000430482987 567017590 /nfs/dbraw/zinc/01/75/90/567017590.db2.gz XHCQWLUXQVDFNV-OLZOCXBDSA-N -1 3 382.507 3.080 20 0 GGADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)C1 ZINC000430482986 567017817 /nfs/dbraw/zinc/01/78/17/567017817.db2.gz XHCQWLUXQVDFNV-CHWSQXEVSA-N -1 3 382.507 3.080 20 0 GGADHM CN(C)C[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000564884563 567018303 /nfs/dbraw/zinc/01/83/03/567018303.db2.gz DFMFZSFMKAEREM-LBPRGKRZSA-N -1 3 392.297 3.259 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000472314638 567018703 /nfs/dbraw/zinc/01/87/03/567018703.db2.gz SRZKASZEQFBMQR-UHFFFAOYSA-N -1 3 384.816 3.286 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1cc(C(F)(F)F)ccc1F ZINC000472314384 567018796 /nfs/dbraw/zinc/01/87/96/567018796.db2.gz QIESPMMQFRWOBC-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(CCCc3ccsc3)no2)ccc1F ZINC000545094759 567019109 /nfs/dbraw/zinc/01/91/09/567019109.db2.gz HWYGTLCDFPQGSX-UHFFFAOYSA-N -1 3 381.454 3.484 20 0 GGADHM COc1cc(F)c(Br)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584182597 567019049 /nfs/dbraw/zinc/01/90/49/567019049.db2.gz FYEZJJXQTRIKTF-UHFFFAOYSA-N -1 3 382.189 3.222 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000584195508 567020325 /nfs/dbraw/zinc/02/03/25/567020325.db2.gz FMFSQAIQNKZHMY-BXUZGUMPSA-N -1 3 381.523 3.021 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000472346113 567020672 /nfs/dbraw/zinc/02/06/72/567020672.db2.gz WRCPSEMDNDGPET-CDEUHXGRSA-N -1 3 387.498 3.238 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2cccc3ccccc32)c1 ZINC000520739266 567022186 /nfs/dbraw/zinc/02/21/86/567022186.db2.gz HCENTECRPROSNR-UHFFFAOYSA-N -1 3 375.471 3.209 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000657134544 567022386 /nfs/dbraw/zinc/02/23/86/567022386.db2.gz OIFFDSKSOBZZHK-CYBMUJFWSA-N -1 3 393.933 3.237 20 0 GGADHM Cc1cc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)on1 ZINC000430582412 567022708 /nfs/dbraw/zinc/02/27/08/567022708.db2.gz QESWHDWAPBJAJY-UHFFFAOYSA-N -1 3 396.628 3.170 20 0 GGADHM Cc1cc(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])on1 ZINC000430582412 567022711 /nfs/dbraw/zinc/02/27/11/567022711.db2.gz QESWHDWAPBJAJY-UHFFFAOYSA-N -1 3 396.628 3.170 20 0 GGADHM C/C=C/C[C@H](CO)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430580344 567022774 /nfs/dbraw/zinc/02/27/74/567022774.db2.gz MBAWWZLGQCKCRR-VMZHVLLKSA-N -1 3 399.672 3.001 20 0 GGADHM C/C=C/C[C@H](CO)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430580344 567022778 /nfs/dbraw/zinc/02/27/78/567022778.db2.gz MBAWWZLGQCKCRR-VMZHVLLKSA-N -1 3 399.672 3.001 20 0 GGADHM CS[C@H](C)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430582216 567023104 /nfs/dbraw/zinc/02/31/04/567023104.db2.gz JTZKTDMRRDOHIU-SSDOTTSWSA-N -1 3 389.702 3.425 20 0 GGADHM CS[C@H](C)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430582216 567023105 /nfs/dbraw/zinc/02/31/05/567023105.db2.gz JTZKTDMRRDOHIU-SSDOTTSWSA-N -1 3 389.702 3.425 20 0 GGADHM C[C@@](CO)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccccc1 ZINC000682001968 567023433 /nfs/dbraw/zinc/02/34/33/567023433.db2.gz TTXLQUMKHVQLCU-HNNXBMFYSA-N -1 3 377.359 3.031 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CC[C@H](c3cccc(Br)c3)C2)c(=O)[n-]1 ZINC000452846001 567023421 /nfs/dbraw/zinc/02/34/21/567023421.db2.gz LMYRSIOYDAKTBO-AWEZNQCLSA-N -1 3 390.281 3.120 20 0 GGADHM CSc1nsc([N-]C(=O)c2cnc3ncc(Br)cc3c2)n1 ZINC000682029125 567024508 /nfs/dbraw/zinc/02/45/08/567024508.db2.gz MBQYJVQQDQNTOI-UHFFFAOYSA-N -1 3 382.268 3.218 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)c3cnc4ncc(Br)cc4c3)[n-]2)o1 ZINC000682033015 567024888 /nfs/dbraw/zinc/02/48/88/567024888.db2.gz ACTXLKOMEMKUSR-UHFFFAOYSA-N -1 3 399.208 3.331 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc4ncc(Br)cc4c3)n2)o1 ZINC000682033015 567024897 /nfs/dbraw/zinc/02/48/97/567024897.db2.gz ACTXLKOMEMKUSR-UHFFFAOYSA-N -1 3 399.208 3.331 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cnc4ncc(Br)cc4c3)n[n-]2)o1 ZINC000682033015 567024902 /nfs/dbraw/zinc/02/49/02/567024902.db2.gz ACTXLKOMEMKUSR-UHFFFAOYSA-N -1 3 399.208 3.331 20 0 GGADHM O=C(Nc1cnns1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430617428 567024991 /nfs/dbraw/zinc/02/49/91/567024991.db2.gz MNTKJAKKESMCDU-UHFFFAOYSA-N -1 3 385.630 3.048 20 0 GGADHM C[C@H](c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1)c1ccc(Br)cc1 ZINC000584257898 567025220 /nfs/dbraw/zinc/02/52/20/567025220.db2.gz PMWPEBWKBIANQT-VIFPVBQESA-N -1 3 390.241 3.213 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2c(C3CC3)cnn2C)c(Cl)c1Cl ZINC000657152045 567025186 /nfs/dbraw/zinc/02/51/86/567025186.db2.gz ZSYYCPXLEKFLIC-UHFFFAOYSA-N -1 3 390.292 3.091 20 0 GGADHM COCc1csc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)c1 ZINC000657152064 567025409 /nfs/dbraw/zinc/02/54/09/567025409.db2.gz FWEDJFDUSNFOGN-UHFFFAOYSA-N -1 3 391.898 3.044 20 0 GGADHM O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1csc(=O)[n-]1 ZINC000472443259 567026254 /nfs/dbraw/zinc/02/62/54/567026254.db2.gz HVCOMBNENWLUHO-UHFFFAOYSA-N -1 3 381.763 3.115 20 0 GGADHM CO[C@H](C)CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430652093 567026815 /nfs/dbraw/zinc/02/68/15/567026815.db2.gz MMCINSGEHZWKOK-MRVPVSSYSA-N -1 3 387.661 3.099 20 0 GGADHM CO[C@H](C)CCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430652093 567026822 /nfs/dbraw/zinc/02/68/22/567026822.db2.gz MMCINSGEHZWKOK-MRVPVSSYSA-N -1 3 387.661 3.099 20 0 GGADHM O=C(NCC1CCOCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430651193 567027662 /nfs/dbraw/zinc/02/76/62/567027662.db2.gz LBRLLRSKKJDKDA-UHFFFAOYSA-N -1 3 399.672 3.100 20 0 GGADHM O=C(NCC1CCOCC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430651193 567027671 /nfs/dbraw/zinc/02/76/71/567027671.db2.gz LBRLLRSKKJDKDA-UHFFFAOYSA-N -1 3 399.672 3.100 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC000520846511 567027767 /nfs/dbraw/zinc/02/77/67/567027767.db2.gz WPIMBSHZBSKBOH-INIZCTEOSA-N -1 3 386.489 3.268 20 0 GGADHM C[C@@H](C1CCC1)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472476809 567028384 /nfs/dbraw/zinc/02/83/84/567028384.db2.gz JPUTTYRBIXDXBU-JTQLQIEISA-N -1 3 378.416 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCCC2)C1)c1sccc1Br ZINC000657160264 567028960 /nfs/dbraw/zinc/02/89/60/567028960.db2.gz FHOJOFZZIVIWFJ-LLVKDONJSA-N -1 3 393.372 3.196 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000584297040 567029857 /nfs/dbraw/zinc/02/98/57/567029857.db2.gz SVWQMFOKKWXTIG-KRWDZBQOSA-N -1 3 395.253 3.027 20 0 GGADHM CCN(CCC1CC1)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472500374 567030806 /nfs/dbraw/zinc/03/08/06/567030806.db2.gz MSSYLXJTHKBAOY-UHFFFAOYSA-N -1 3 378.416 3.339 20 0 GGADHM COC(=O)c1ccc(C(=O)[N-]c2cccc(Cl)c2S(=O)(=O)C(C)C)o1 ZINC000584299884 567031238 /nfs/dbraw/zinc/03/12/38/567031238.db2.gz YOXMYHIFWOMJJO-UHFFFAOYSA-N -1 3 385.825 3.154 20 0 GGADHM C[C@@H](CC(F)(F)F)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472506237 567032576 /nfs/dbraw/zinc/03/25/76/567032576.db2.gz XHSWFXWJFJDHIH-ZETCQYMHSA-N -1 3 392.321 3.148 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(N)c2)oc1-c1ccc(Cl)cc1 ZINC000545264163 567034157 /nfs/dbraw/zinc/03/41/57/567034157.db2.gz SNPYRAWNKSMQGO-UHFFFAOYSA-N -1 3 377.853 3.364 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)s1 ZINC000657196754 567034510 /nfs/dbraw/zinc/03/45/10/567034510.db2.gz WOEZLLUVPYLUII-APHBMKBZSA-N -1 3 378.519 3.170 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Cl)s1 ZINC000657191385 567034653 /nfs/dbraw/zinc/03/46/53/567034653.db2.gz DYVFTFQHUSTWJZ-VZJVUDMVSA-N -1 3 398.937 3.433 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCN1Cc1ccccc1 ZINC000520982868 567035053 /nfs/dbraw/zinc/03/50/53/567035053.db2.gz MJQCYUYTIYVILH-MRXNPFEDSA-N -1 3 399.299 3.073 20 0 GGADHM C[C@@H](CCC1CC1)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472569687 567035569 /nfs/dbraw/zinc/03/55/69/567035569.db2.gz IVLBZYDZLCETAV-JTQLQIEISA-N -1 3 378.416 3.385 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCCC3(CC3)C2)cc(C(F)(F)F)c1 ZINC000472550873 567035874 /nfs/dbraw/zinc/03/58/74/567035874.db2.gz LWONCXGDJUNPAQ-UHFFFAOYSA-N -1 3 376.400 3.093 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@H](C)O ZINC000565083278 567036859 /nfs/dbraw/zinc/03/68/59/567036859.db2.gz LTYIRBNYQXIWAN-APPDUMDISA-N -1 3 387.860 3.029 20 0 GGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472574437 567037276 /nfs/dbraw/zinc/03/72/76/567037276.db2.gz OZKNJCVACCMCFL-IINYFYTJSA-N -1 3 378.416 3.338 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000565102134 567037578 /nfs/dbraw/zinc/03/75/78/567037578.db2.gz AQJFLNGLNJCTRP-QGZVFWFLSA-N -1 3 395.253 3.027 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000565102131 567037973 /nfs/dbraw/zinc/03/79/73/567037973.db2.gz AQJFLNGLNJCTRP-KRWDZBQOSA-N -1 3 395.253 3.027 20 0 GGADHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000472592978 567039675 /nfs/dbraw/zinc/03/96/75/567039675.db2.gz YUMQEEOAYCUETL-UHFFFAOYSA-N -1 3 398.282 3.142 20 0 GGADHM C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@]1(C)C(=O)[O-] ZINC000565111768 567040077 /nfs/dbraw/zinc/04/00/77/567040077.db2.gz OPKBKXAZBGZMFH-HWPZZCPQSA-N -1 3 380.242 3.042 20 0 GGADHM C[C@H]1CCCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000472603810 567041452 /nfs/dbraw/zinc/04/14/52/567041452.db2.gz NPPXORPDJVNNOY-NSHDSACASA-N -1 3 378.416 3.339 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1-n1cccn1 ZINC000545351985 567041797 /nfs/dbraw/zinc/04/17/97/567041797.db2.gz DJFYWYQQLYLODP-NSHDSACASA-N -1 3 396.266 3.267 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000584430221 567042102 /nfs/dbraw/zinc/04/21/02/567042102.db2.gz QBCXXJVUIQECEL-UHFFFAOYSA-N -1 3 397.758 3.217 20 0 GGADHM O=S(=O)([N-]CC1(CCOCc2ccccc2)CC1)c1cncc(Cl)c1 ZINC000472629220 567043183 /nfs/dbraw/zinc/04/31/83/567043183.db2.gz UBCRFQYEMCOWTH-UHFFFAOYSA-N -1 3 380.897 3.400 20 0 GGADHM CC(C)[C@@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000521138501 567043294 /nfs/dbraw/zinc/04/32/94/567043294.db2.gz JHMFNQUBZYDBNU-AWEZNQCLSA-N -1 3 393.336 3.309 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)CC(C)C ZINC000545357032 567043307 /nfs/dbraw/zinc/04/33/07/567043307.db2.gz STFPMSGXZINYNK-LBPRGKRZSA-N -1 3 381.336 3.077 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](OC(C)C)c2ccccc2OC)s1 ZINC000472640377 567043654 /nfs/dbraw/zinc/04/36/54/567043654.db2.gz QRMMQSVSEYJPES-OAHLLOKOSA-N -1 3 384.523 3.159 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000521148030 567043961 /nfs/dbraw/zinc/04/39/61/567043961.db2.gz NUEGXZDEWXEEPM-GDBMZVCRSA-N -1 3 380.535 3.415 20 0 GGADHM O=C([O-])CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCOCC1 ZINC000584473257 567045021 /nfs/dbraw/zinc/04/50/21/567045021.db2.gz VIQHFDRPBVOIGE-UHFFFAOYSA-N -1 3 395.670 3.151 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000495111223 567045463 /nfs/dbraw/zinc/04/54/63/567045463.db2.gz VYHJANSNBOWTTK-GFCCVEGCSA-N -1 3 397.595 3.167 20 0 GGADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cncc(Br)c1 ZINC000521154810 567045472 /nfs/dbraw/zinc/04/54/72/567045472.db2.gz GYWKXCSVROUCGP-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000584458542 567045554 /nfs/dbraw/zinc/04/55/54/567045554.db2.gz JXCHFXXPTVMFEN-VDERGJSUSA-N -1 3 385.913 3.222 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000584458540 567045719 /nfs/dbraw/zinc/04/57/19/567045719.db2.gz JXCHFXXPTVMFEN-LQKXBSAESA-N -1 3 385.913 3.222 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CSc2ccc(C)cc2)oc1C ZINC000472700159 567046025 /nfs/dbraw/zinc/04/60/25/567046025.db2.gz CTWGUPDOEUKQSE-GFCCVEGCSA-N -1 3 383.491 3.142 20 0 GGADHM CCSc1nnc([N-]C(=O)c2cnn(-c3ccncc3)c2C(F)F)s1 ZINC000495113150 567046294 /nfs/dbraw/zinc/04/62/94/567046294.db2.gz XDPPWSOCTMZPPT-UHFFFAOYSA-N -1 3 382.421 3.421 20 0 GGADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565190276 567046540 /nfs/dbraw/zinc/04/65/40/567046540.db2.gz KIOZNUUMMFRYHB-SNVBAGLBSA-N -1 3 388.265 3.409 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1F ZINC000634658443 567046436 /nfs/dbraw/zinc/04/64/36/567046436.db2.gz JEJUFAUDBMXWIB-UHFFFAOYSA-N -1 3 378.372 3.098 20 0 GGADHM CSc1nnc(NC(=O)c2ccc(I)c(Cl)c2)[n-]1 ZINC000495096832 567046702 /nfs/dbraw/zinc/04/67/02/567046702.db2.gz CXTILVFOEYPLLA-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1n[n-]c(NC(=O)c2ccc(I)c(Cl)c2)n1 ZINC000495096832 567046706 /nfs/dbraw/zinc/04/67/06/567046706.db2.gz CXTILVFOEYPLLA-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1nc(NC(=O)c2ccc(I)c(Cl)c2)n[n-]1 ZINC000495096832 567046716 /nfs/dbraw/zinc/04/67/16/567046716.db2.gz CXTILVFOEYPLLA-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000472689052 567046805 /nfs/dbraw/zinc/04/68/05/567046805.db2.gz GRKXUPFDUWHNOD-CVEARBPZSA-N -1 3 381.519 3.419 20 0 GGADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000682472578 567047535 /nfs/dbraw/zinc/04/75/35/567047535.db2.gz UGLQEYRVSBUHSK-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000682472578 567047543 /nfs/dbraw/zinc/04/75/43/567047543.db2.gz UGLQEYRVSBUHSK-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000682472578 567047548 /nfs/dbraw/zinc/04/75/48/567047548.db2.gz UGLQEYRVSBUHSK-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000495131201 567047949 /nfs/dbraw/zinc/04/79/49/567047949.db2.gz YATOGLKQKMDWLZ-SFHVURJKSA-N -1 3 380.535 3.272 20 0 GGADHM COc1ccc([O-])c(C(=O)NCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000545407395 567049552 /nfs/dbraw/zinc/04/95/52/567049552.db2.gz GIGDEDCAAGKEIF-UHFFFAOYSA-N -1 3 390.237 3.049 20 0 GGADHM CCSc1cccc(Br)c1NS(=O)(=O)c1c(C)o[n-]c1=N ZINC000584533262 567050777 /nfs/dbraw/zinc/05/07/77/567050777.db2.gz VFGHQPWRGWJBRV-UHFFFAOYSA-N -1 3 392.300 3.071 20 0 GGADHM CCN=c1[n-]c(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cs1 ZINC000613651917 567051738 /nfs/dbraw/zinc/05/17/38/567051738.db2.gz GIROVEHZAMCGKQ-KGLIPLIRSA-N -1 3 386.304 3.034 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1C ZINC000521280233 567051996 /nfs/dbraw/zinc/05/19/96/567051996.db2.gz PPZBUGLUZBBHLI-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM CN(C)Cc1cccc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000545455100 567052123 /nfs/dbraw/zinc/05/21/23/567052123.db2.gz ZBKBKCILDQTYHT-UHFFFAOYSA-N -1 3 396.228 3.311 20 0 GGADHM C[C@H](C(=O)[O-])N(Cc1cc2c(cc1Br)OCCCO2)C1CCC1 ZINC000565255074 567052329 /nfs/dbraw/zinc/05/23/29/567052329.db2.gz QCXREEGKQGAAHP-LLVKDONJSA-N -1 3 384.270 3.438 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)c2ccccc21 ZINC000545464347 567053084 /nfs/dbraw/zinc/05/30/84/567053084.db2.gz CROSXLBXMYHSKP-ZDUSSCGKSA-N -1 3 384.226 3.194 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OC ZINC000545465908 567053998 /nfs/dbraw/zinc/05/39/98/567053998.db2.gz WBQSJIAYBIDCLI-VIFPVBQESA-N -1 3 384.281 3.012 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)OC ZINC000545471364 567054470 /nfs/dbraw/zinc/05/44/70/567054470.db2.gz FYCORFZEODZRDG-NSHDSACASA-N -1 3 398.706 3.113 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c(F)c1 ZINC000521318592 567054738 /nfs/dbraw/zinc/05/47/38/567054738.db2.gz HTLXZGUSJBSWJN-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cs1 ZINC000613684405 567054933 /nfs/dbraw/zinc/05/49/33/567054933.db2.gz ISUUIUGNTCIKLZ-LLVKDONJSA-N -1 3 381.885 3.318 20 0 GGADHM CC(C)(CF)[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000472922377 567055834 /nfs/dbraw/zinc/05/58/34/567055834.db2.gz CAYMOQHBTDLDCU-UHFFFAOYSA-N -1 3 394.184 3.374 20 0 GGADHM CN(C)CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC1 ZINC000545490613 567055966 /nfs/dbraw/zinc/05/59/66/567055966.db2.gz MAXWHGZMFCIUFV-UHFFFAOYSA-N -1 3 399.713 3.004 20 0 GGADHM CC(C)(CF)[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000472928235 567055969 /nfs/dbraw/zinc/05/59/69/567055969.db2.gz NDRNPAQQBPBDJY-UHFFFAOYSA-N -1 3 378.185 3.494 20 0 GGADHM COC[C@@H](C)n1ccc(=NC(=O)c2cc3cc(Br)sc3[n-]2)[nH]1 ZINC000613707317 567056659 /nfs/dbraw/zinc/05/66/59/567056659.db2.gz FRMNNKSFEWWKEF-MRVPVSSYSA-N -1 3 383.271 3.070 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)o1 ZINC000521384597 567057928 /nfs/dbraw/zinc/05/79/28/567057928.db2.gz OYBYUBYBQHQRCM-SECBINFHSA-N -1 3 396.266 3.333 20 0 GGADHM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)CCOC1 ZINC000634785593 567058054 /nfs/dbraw/zinc/05/80/54/567058054.db2.gz RAYLPMVKRMGROP-OAHLLOKOSA-N -1 3 399.843 3.267 20 0 GGADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)CCOC1 ZINC000634789196 567060544 /nfs/dbraw/zinc/06/05/44/567060544.db2.gz CXSDNABHMADWKE-HNNXBMFYSA-N -1 3 381.416 3.117 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000545548364 567061902 /nfs/dbraw/zinc/06/19/02/567061902.db2.gz WEADJYIVWDAWTO-UHFFFAOYSA-N -1 3 378.281 3.187 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c1Br ZINC000634792023 567062643 /nfs/dbraw/zinc/06/26/43/567062643.db2.gz YLYGENNNJMWPLL-HNNXBMFYSA-N -1 3 392.315 3.083 20 0 GGADHM COc1ccc(CN2CCC(C(=O)N(C)C(C)C)CC2)c(Br)c1[O-] ZINC000545561454 567062796 /nfs/dbraw/zinc/06/27/96/567062796.db2.gz RTDNGCOQNOZSEC-UHFFFAOYSA-N -1 3 399.329 3.242 20 0 GGADHM CC[C@@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C(C)(C)C ZINC000521541378 567065024 /nfs/dbraw/zinc/06/50/24/567065024.db2.gz ZQBCQOOYYVDRQD-CQSZACIVSA-N -1 3 387.571 3.025 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000584740971 567064949 /nfs/dbraw/zinc/06/49/49/567064949.db2.gz KPHDUCWAFOWZQH-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM COc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000521556858 567065084 /nfs/dbraw/zinc/06/50/84/567065084.db2.gz IDAWUNVEFOBURC-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)(C)CO ZINC000584748501 567066513 /nfs/dbraw/zinc/06/65/13/567066513.db2.gz XRPWBLLUDBAWSF-KRWDZBQOSA-N -1 3 383.897 3.387 20 0 GGADHM O=C(NCc1ccc(Cl)cc1I)c1csc(=O)[n-]1 ZINC000473229393 567068657 /nfs/dbraw/zinc/06/86/57/567068657.db2.gz JNQIMSANZUPYFO-UHFFFAOYSA-N -1 3 394.621 3.037 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(C(=O)C(C)(C)C)CC2)sc1Cl ZINC000682723726 567068874 /nfs/dbraw/zinc/06/88/74/567068874.db2.gz MPNZHDXXTADQJW-UHFFFAOYSA-N -1 3 378.947 3.025 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](CN1CCCCC1)c1ccccc1 ZINC000682727651 567069091 /nfs/dbraw/zinc/06/90/91/567069091.db2.gz VSAJASGRMRYGFM-INIZCTEOSA-N -1 3 380.535 3.262 20 0 GGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431250735 567068970 /nfs/dbraw/zinc/06/89/70/567068970.db2.gz YPFQSYZOPDZLPU-UHFFFAOYSA-N -1 3 384.860 3.154 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(C)C ZINC000682726723 567069236 /nfs/dbraw/zinc/06/92/36/567069236.db2.gz VYIHJYGIRCUGCX-ZDUSSCGKSA-N -1 3 394.331 3.187 20 0 GGADHM O=C(C[N-]S(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1c(F)cccc1Cl ZINC000565476471 567071036 /nfs/dbraw/zinc/07/10/36/567071036.db2.gz RGLITDFGYDDPFM-CHWSQXEVSA-N -1 3 388.892 3.008 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1ccc(Br)c(F)c1 ZINC000431291733 567072153 /nfs/dbraw/zinc/07/21/53/567072153.db2.gz GJPMLXGUBCANHX-UHFFFAOYSA-N -1 3 386.242 3.097 20 0 GGADHM Cc1ccc(Br)cc1Cc1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000453297975 567073224 /nfs/dbraw/zinc/07/32/24/567073224.db2.gz VOJMFBCTQXCLPX-UHFFFAOYSA-N -1 3 389.253 3.435 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)c1 ZINC000565500667 567074052 /nfs/dbraw/zinc/07/40/52/567074052.db2.gz BTVWLSSEBPQGHK-LBPRGKRZSA-N -1 3 383.466 3.071 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc2nn[n-]c21 ZINC000682821529 567074652 /nfs/dbraw/zinc/07/46/52/567074652.db2.gz OLTUWWHQHFREGZ-NSHDSACASA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc2[n-]nnc21 ZINC000682821529 567074659 /nfs/dbraw/zinc/07/46/59/567074659.db2.gz OLTUWWHQHFREGZ-NSHDSACASA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc2n[n-]nc21 ZINC000682821529 567074665 /nfs/dbraw/zinc/07/46/65/567074665.db2.gz OLTUWWHQHFREGZ-NSHDSACASA-N -1 3 376.247 3.273 20 0 GGADHM COc1ccc(N2C[C@@H](NCc3cccc([O-])c3Br)CC2=O)cc1 ZINC000657604686 567075163 /nfs/dbraw/zinc/07/51/63/567075163.db2.gz XZWYINUMWISEEY-ZDUSSCGKSA-N -1 3 391.265 3.058 20 0 GGADHM CN(C)C(=O)C[C@H](NCc1cc([O-])ccc1Br)c1ccccc1 ZINC000431363539 567076835 /nfs/dbraw/zinc/07/68/35/567076835.db2.gz QLIDXRCTAZMKHC-KRWDZBQOSA-N -1 3 377.282 3.464 20 0 GGADHM Brc1ccc([C@@H](Cc2ccccn2)N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000473456506 567081001 /nfs/dbraw/zinc/08/10/01/567081001.db2.gz WHNOHVNGXGBENN-MRXNPFEDSA-N -1 3 395.264 3.280 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000497296651 567087019 /nfs/dbraw/zinc/08/70/19/567087019.db2.gz UBDCQROKDSFKKO-UHFFFAOYSA-N -1 3 378.219 3.115 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000497296651 567087024 /nfs/dbraw/zinc/08/70/24/567087024.db2.gz UBDCQROKDSFKKO-UHFFFAOYSA-N -1 3 378.219 3.115 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(C)OCCc2sccc21 ZINC000521944181 567087761 /nfs/dbraw/zinc/08/77/61/567087761.db2.gz LBWHZWNFOBSJCJ-MRXNPFEDSA-N -1 3 387.910 3.177 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO[C@H]1C1CC1 ZINC000545927287 567088945 /nfs/dbraw/zinc/08/89/45/567088945.db2.gz RDXYNRQNMHXKFS-LSDHHAIUSA-N -1 3 392.290 3.072 20 0 GGADHM Cc1cc(Br)c(CN2CCN(C(=O)c3cccc([O-])c3)CC2)s1 ZINC000453568902 567090439 /nfs/dbraw/zinc/09/04/39/567090439.db2.gz YMEORGYSHRZIPW-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM C[C@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCO[C@@H]1C1CC1 ZINC000545936499 567090459 /nfs/dbraw/zinc/09/04/59/567090459.db2.gz OWRJBALDOQHKOA-NVXWUHKLSA-N -1 3 383.286 3.159 20 0 GGADHM CCc1ccc([C@H](CO)NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000497345792 567091257 /nfs/dbraw/zinc/09/12/57/567091257.db2.gz JYEWEDDEWKPLPJ-INIZCTEOSA-N -1 3 378.266 3.109 20 0 GGADHM O=C1CCC(c2ccc(Br)cc2)=NN1c1cn[n-]c(=O)c1Cl ZINC000614186256 567091567 /nfs/dbraw/zinc/09/15/67/567091567.db2.gz ZNVORFAYLIRFRT-UHFFFAOYSA-N -1 3 381.617 3.129 20 0 GGADHM CCc1ccc([C@@H](CO)NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000497345793 567091758 /nfs/dbraw/zinc/09/17/58/567091758.db2.gz JYEWEDDEWKPLPJ-MRXNPFEDSA-N -1 3 378.266 3.109 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccccc2F)cs1)c1cncc(Cl)c1 ZINC000521973445 567092052 /nfs/dbraw/zinc/09/20/52/567092052.db2.gz PBZWHPPDSCOUFJ-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM C[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1c(Cl)cccc1Cl ZINC000586751990 567092974 /nfs/dbraw/zinc/09/29/74/567092974.db2.gz XSDMMZFJAMDCGP-NSHDSACASA-N -1 3 381.259 3.349 20 0 GGADHM C[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1c(Cl)cccc1Cl ZINC000586751989 567093549 /nfs/dbraw/zinc/09/35/49/567093549.db2.gz XSDMMZFJAMDCGP-LLVKDONJSA-N -1 3 381.259 3.349 20 0 GGADHM CC(C)[C@H](Oc1ccccc1Br)C(=O)NCc1ncccc1[O-] ZINC000473636491 567093607 /nfs/dbraw/zinc/09/36/07/567093607.db2.gz QIZOLDNBVUOEQK-INIZCTEOSA-N -1 3 379.254 3.270 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)c(C)o1 ZINC000683072036 567093962 /nfs/dbraw/zinc/09/39/62/567093962.db2.gz SWEGLNLTAWKXMD-UHFFFAOYSA-N -1 3 376.356 3.076 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000431594277 567094417 /nfs/dbraw/zinc/09/44/17/567094417.db2.gz CPTVRLDQKXMOJX-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C1CC1)c1cncc(Br)c1 ZINC000431606467 567095720 /nfs/dbraw/zinc/09/57/20/567095720.db2.gz UVSJGLZVFBHHTJ-INIZCTEOSA-N -1 3 381.295 3.316 20 0 GGADHM COc1ccc(CNC[C@@H](O)[C@H](C)c2ccccc2)c(Br)c1[O-] ZINC000657795256 567096055 /nfs/dbraw/zinc/09/60/55/567096055.db2.gz FBGOJHDSCJLFKM-IUODEOHRSA-N -1 3 380.282 3.418 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431615128 567096114 /nfs/dbraw/zinc/09/61/14/567096114.db2.gz UINSHOYRUMTLLH-CQSZACIVSA-N -1 3 389.807 3.411 20 0 GGADHM CCn1c(NC(=O)c2c[n-]c(C(=O)OC)c2)nc2ccc(Br)cc21 ZINC000497434084 567096411 /nfs/dbraw/zinc/09/64/11/567096411.db2.gz ZQGMNRIPCMGXMV-UHFFFAOYSA-N -1 3 391.225 3.186 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)s1 ZINC000683144508 567097705 /nfs/dbraw/zinc/09/77/05/567097705.db2.gz NBFKPKXQDHAPSY-NXEZZACHSA-N -1 3 386.461 3.345 20 0 GGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000565799255 567099524 /nfs/dbraw/zinc/09/95/24/567099524.db2.gz HHDUWRVSYJVLRM-RUZDIDTESA-N -1 3 377.853 3.356 20 0 GGADHM COc1cccc2c(C(=O)Nc3ccc(Cl)c(C[S@@](C)=O)c3)n[n-]c21 ZINC000565799255 567099530 /nfs/dbraw/zinc/09/95/30/567099530.db2.gz HHDUWRVSYJVLRM-RUZDIDTESA-N -1 3 377.853 3.356 20 0 GGADHM COc1cc(C[NH2+]C[C@@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1[O-] ZINC000683172843 567100990 /nfs/dbraw/zinc/10/09/90/567100990.db2.gz YVWKQBCWGMDKDS-CQSZACIVSA-N -1 3 394.265 3.196 20 0 GGADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683173844 567101023 /nfs/dbraw/zinc/10/10/23/567101023.db2.gz LNWJGPPNPJDERH-KRWDZBQOSA-N -1 3 394.265 3.390 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CC12CCCCC2 ZINC000565805817 567101035 /nfs/dbraw/zinc/10/10/35/567101035.db2.gz BMFLXWSTSKIDGG-AWEZNQCLSA-N -1 3 391.320 3.111 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000683173925 567101062 /nfs/dbraw/zinc/10/10/62/567101062.db2.gz MMPOBIIPLFFLMG-KRWDZBQOSA-N -1 3 390.281 3.360 20 0 GGADHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1nc2c(s1)CCC2 ZINC000683173300 567101650 /nfs/dbraw/zinc/10/16/50/567101650.db2.gz KDVIQSOJBUVZFC-CYBMUJFWSA-N -1 3 381.295 3.180 20 0 GGADHM COc1ccc(Br)cc1CNC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000683172688 567101664 /nfs/dbraw/zinc/10/16/64/567101664.db2.gz YHZKPYZMNQBLKM-HNNXBMFYSA-N -1 3 378.266 3.491 20 0 GGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c1 ZINC000473765211 567102015 /nfs/dbraw/zinc/10/20/15/567102015.db2.gz UPMLWDSSTSSOKP-OAHLLOKOSA-N -1 3 379.400 3.181 20 0 GGADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546070540 567102150 /nfs/dbraw/zinc/10/21/50/567102150.db2.gz BCYWKPQEJWMNHV-MRVPVSSYSA-N -1 3 378.219 3.229 20 0 GGADHM CC[C@@H]1CN(C)CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000614343418 567102814 /nfs/dbraw/zinc/10/28/14/567102814.db2.gz VIQAHGFJZSWMDH-GFCCVEGCSA-N -1 3 392.297 3.259 20 0 GGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000683195343 567104314 /nfs/dbraw/zinc/10/43/14/567104314.db2.gz JGCHILVMWVEICG-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093463 567104960 /nfs/dbraw/zinc/10/49/60/567104960.db2.gz CVTMKCHXWJFZKO-OCCSQVGLSA-N -1 3 399.310 3.156 20 0 GGADHM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000546093661 567105903 /nfs/dbraw/zinc/10/59/03/567105903.db2.gz UBHQUFYQDRRHFF-VIFPVBQESA-N -1 3 387.255 3.040 20 0 GGADHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000497541008 567106345 /nfs/dbraw/zinc/10/63/45/567106345.db2.gz MXKFVNXQGBBOHI-UHFFFAOYSA-N -1 3 385.463 3.044 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2csc3ccccc23)oc1C ZINC000431814410 567108413 /nfs/dbraw/zinc/10/84/13/567108413.db2.gz YDPMXWLBZAPIHL-UHFFFAOYSA-N -1 3 379.459 3.110 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473853833 567108438 /nfs/dbraw/zinc/10/84/38/567108438.db2.gz JGGGQJMIGBZJJN-SNVBAGLBSA-N -1 3 381.300 3.428 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)oc1C ZINC000431804627 567108945 /nfs/dbraw/zinc/10/89/45/567108945.db2.gz LCMBSIPFYSRNKS-ZDUSSCGKSA-N -1 3 385.438 3.029 20 0 GGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC(F)(F)C1 ZINC000683261959 567109521 /nfs/dbraw/zinc/10/95/21/567109521.db2.gz SJFJWBGKVVSCBL-UHFFFAOYSA-N -1 3 377.572 3.035 20 0 GGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CC(F)(F)C1 ZINC000683261959 567109525 /nfs/dbraw/zinc/10/95/25/567109525.db2.gz SJFJWBGKVVSCBL-UHFFFAOYSA-N -1 3 377.572 3.035 20 0 GGADHM O=C(N[C@H]1CCSC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000473862395 567110215 /nfs/dbraw/zinc/11/02/15/567110215.db2.gz ZKBYAWCXOJHWQC-QMMMGPOBSA-N -1 3 387.686 3.179 20 0 GGADHM O=C(N[C@H]1CCSC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000473862395 567110217 /nfs/dbraw/zinc/11/02/17/567110217.db2.gz ZKBYAWCXOJHWQC-QMMMGPOBSA-N -1 3 387.686 3.179 20 0 GGADHM Cc1ncccc1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000497565068 567110456 /nfs/dbraw/zinc/11/04/56/567110456.db2.gz UTPUCLNDYIARQI-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM Cc1nn(CC(F)F)c(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000546164408 567111351 /nfs/dbraw/zinc/11/13/51/567111351.db2.gz BRCKVIFDBHGJHK-UHFFFAOYSA-N -1 3 388.212 3.163 20 0 GGADHM NC(=O)[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1ccccc1 ZINC000431836611 567112501 /nfs/dbraw/zinc/11/25/01/567112501.db2.gz ZUNJOOOQKPEEOY-OAHLLOKOSA-N -1 3 380.878 3.060 20 0 GGADHM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473905326 567112406 /nfs/dbraw/zinc/11/24/06/567112406.db2.gz MQKHDWMYGZXCJP-ZDUSSCGKSA-N -1 3 387.910 3.163 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1F ZINC000522375884 567113644 /nfs/dbraw/zinc/11/36/44/567113644.db2.gz DJEBWSVDCFEATE-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)cc(F)c1 ZINC000522371883 567113669 /nfs/dbraw/zinc/11/36/69/567113669.db2.gz FRUOXUVHKGFESH-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM CC[S@@](=O)c1ccccc1C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588100862 567113872 /nfs/dbraw/zinc/11/38/72/567113872.db2.gz NWNNIGDYONYXCM-RUZDIDTESA-N -1 3 381.837 3.212 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2cccc(F)c2)N(C)C)sc1Cl ZINC000473912399 567114079 /nfs/dbraw/zinc/11/40/79/567114079.db2.gz RZJQHXAYYTZMBZ-CYBMUJFWSA-N -1 3 376.906 3.430 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(Br)cn2C)c1[O-] ZINC000588095425 567114081 /nfs/dbraw/zinc/11/40/81/567114081.db2.gz RGRLXASIPGNKRT-UHFFFAOYSA-N -1 3 387.617 3.186 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccncc2Br)c1[O-] ZINC000588095107 567114183 /nfs/dbraw/zinc/11/41/83/567114183.db2.gz CJPHDTFQDQDYFS-UHFFFAOYSA-N -1 3 385.601 3.242 20 0 GGADHM CCCCNC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCCC1 ZINC000522353289 567114263 /nfs/dbraw/zinc/11/42/63/567114263.db2.gz QVAPKCTXZYIIKG-UHFFFAOYSA-N -1 3 390.908 3.377 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCNC(=O)c2ccc(Cl)cc2)sc1Cl ZINC000473910969 567114427 /nfs/dbraw/zinc/11/44/27/567114427.db2.gz LTMCVFAGDZXDRF-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473916182 567114439 /nfs/dbraw/zinc/11/44/39/567114439.db2.gz ZTOHSNFRWKMTRT-UHFFFAOYSA-N -1 3 386.926 3.037 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)C(=O)Nc2ccc(Cl)cc2)c1[O-] ZINC000588099870 567114561 /nfs/dbraw/zinc/11/45/61/567114561.db2.gz DWINNRCEFBZQBJ-UHFFFAOYSA-N -1 3 383.187 3.063 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[n-]1 ZINC000565952464 567114981 /nfs/dbraw/zinc/11/49/81/567114981.db2.gz WKWDCRPAURCACW-QWRGUYRKSA-N -1 3 388.187 3.366 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(F)c(F)c2)s1 ZINC000431901732 567115211 /nfs/dbraw/zinc/11/52/11/567115211.db2.gz JPQBNJZHJBFQIZ-UHFFFAOYSA-N -1 3 375.418 3.027 20 0 GGADHM CC(C)(C)Oc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000522408476 567115480 /nfs/dbraw/zinc/11/54/80/567115480.db2.gz BQCJAXVMDKLEOH-UHFFFAOYSA-N -1 3 382.507 3.233 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)oc1C ZINC000431895794 567115708 /nfs/dbraw/zinc/11/57/08/567115708.db2.gz HKGVGQCYKWTPKB-QMMMGPOBSA-N -1 3 375.805 3.207 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(Cn3cccn3)c2)sc1Cl ZINC000473919300 567115755 /nfs/dbraw/zinc/11/57/55/567115755.db2.gz LDOAAPUICNTPNO-UHFFFAOYSA-N -1 3 381.910 3.433 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@H](C)C2)s1 ZINC000473941620 567116942 /nfs/dbraw/zinc/11/69/42/567116942.db2.gz BDYOEPVVJBPXSY-WDEREUQCSA-N -1 3 395.388 3.218 20 0 GGADHM COc1ccc(COCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473935752 567116962 /nfs/dbraw/zinc/11/69/62/567116962.db2.gz FWMSTJDFGYEDCP-UHFFFAOYSA-N -1 3 375.899 3.214 20 0 GGADHM COc1ccc(CN2CCN(CC(F)(F)F)[C@H](C)C2)c(Br)c1[O-] ZINC000546257553 567118777 /nfs/dbraw/zinc/11/87/77/567118777.db2.gz YQDRQHAHJBXSDO-SNVBAGLBSA-N -1 3 397.235 3.232 20 0 GGADHM O=S(=O)([N-]Cc1ccncc1OCC(F)(F)F)c1cccc(Cl)c1F ZINC000546265599 567119402 /nfs/dbraw/zinc/11/94/02/567119402.db2.gz LQDSWLWGYRPFFW-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000497713243 567119804 /nfs/dbraw/zinc/11/98/04/567119804.db2.gz KXZALFVOXGXKBI-UHFFFAOYSA-N -1 3 380.853 3.094 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2C)cc1OC ZINC000566025315 567119973 /nfs/dbraw/zinc/11/99/73/567119973.db2.gz HSUBAUSMYWNPAB-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM COc1ccc(CN2CCc3ccccc3[C@@H]2CO)c(Br)c1[O-] ZINC000546267653 567120443 /nfs/dbraw/zinc/12/04/43/567120443.db2.gz DNNHXYJLUJZHAL-HNNXBMFYSA-N -1 3 378.266 3.255 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Br)c2)nc2ccccc12 ZINC000522616562 567121446 /nfs/dbraw/zinc/12/14/46/567121446.db2.gz RQOAYKVZYHXCAR-UHFFFAOYSA-N -1 3 392.278 3.179 20 0 GGADHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000497757518 567122547 /nfs/dbraw/zinc/12/25/47/567122547.db2.gz ICFJQOYDDLDCHQ-SECBINFHSA-N -1 3 394.287 3.396 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)oc1C ZINC000432005333 567123148 /nfs/dbraw/zinc/12/31/48/567123148.db2.gz DPHBVFUQCJXYCE-UHFFFAOYSA-N -1 3 389.882 3.099 20 0 GGADHM COc1cc(Br)ccc1CCCN1CCSC[C@@H]1CC(=O)[O-] ZINC000566073084 567123706 /nfs/dbraw/zinc/12/37/06/567123706.db2.gz CVIGKLPRGBRAKR-AWEZNQCLSA-N -1 3 388.327 3.282 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)c1Cl ZINC000614603747 567123842 /nfs/dbraw/zinc/12/38/42/567123842.db2.gz OFIJRCQFJWAQFG-GFCCVEGCSA-N -1 3 382.309 3.166 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)N1CCCC[C@H]1C ZINC000614606023 567123913 /nfs/dbraw/zinc/12/39/13/567123913.db2.gz DHIVYQAQGWMQGD-NEPJUHHUSA-N -1 3 393.322 3.129 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000614601550 567124443 /nfs/dbraw/zinc/12/44/43/567124443.db2.gz JKZWKPQPVOTJRW-CHWSQXEVSA-N -1 3 395.352 3.079 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c1Cl ZINC000614603760 567124767 /nfs/dbraw/zinc/12/47/67/567124767.db2.gz OFIJRCQFJWAQFG-LBPRGKRZSA-N -1 3 382.309 3.166 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3c(F)cccc3F)cs2)o1 ZINC000497791763 567125060 /nfs/dbraw/zinc/12/50/60/567125060.db2.gz RRENCZCJOXGQTN-UHFFFAOYSA-N -1 3 384.385 3.337 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cccc(C)c2Br)n1 ZINC000636113049 567126027 /nfs/dbraw/zinc/12/60/27/567126027.db2.gz RRXMKDSETNXSAL-UHFFFAOYSA-N -1 3 378.270 3.156 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000636110956 567126229 /nfs/dbraw/zinc/12/62/29/567126229.db2.gz PICUOCMLZVCEJH-UHFFFAOYSA-N -1 3 380.235 3.110 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000614608264 567126162 /nfs/dbraw/zinc/12/61/62/567126162.db2.gz SKNNUAKIOITCKF-RISCZKNCSA-N -1 3 394.306 3.462 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000614614112 567126816 /nfs/dbraw/zinc/12/68/16/567126816.db2.gz RQFKTTQODABLJM-VIFPVBQESA-N -1 3 391.242 3.156 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Br)c(F)cc2F)n1 ZINC000636110056 567126894 /nfs/dbraw/zinc/12/68/94/567126894.db2.gz IWXROINKYFEHEC-UHFFFAOYSA-N -1 3 386.196 3.196 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2cc(Cl)ccc2Cl)no1 ZINC000546430234 567127085 /nfs/dbraw/zinc/12/70/85/567127085.db2.gz NTHNEAJPQWULKZ-UHFFFAOYSA-N -1 3 378.281 3.187 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c(F)c1 ZINC000614615329 567127122 /nfs/dbraw/zinc/12/71/22/567127122.db2.gz LBIIAQSRKNHQMD-UHFFFAOYSA-N -1 3 382.482 3.203 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636109681 567127339 /nfs/dbraw/zinc/12/73/39/567127339.db2.gz FBHVHPXZDLNLHK-UHFFFAOYSA-N -1 3 394.269 3.235 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)c1 ZINC000474051920 567127554 /nfs/dbraw/zinc/12/75/54/567127554.db2.gz LLVKGRLSKABSPM-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000522751212 567128110 /nfs/dbraw/zinc/12/81/10/567128110.db2.gz KKMVQZQHUNJJME-UHFFFAOYSA-N -1 3 377.865 3.412 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c1 ZINC000474072546 567130834 /nfs/dbraw/zinc/13/08/34/567130834.db2.gz KBNMZNAEVCIOOI-UHFFFAOYSA-N -1 3 396.306 3.468 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000432080313 567130860 /nfs/dbraw/zinc/13/08/60/567130860.db2.gz VPGWMHFVGGYUJB-UHFFFAOYSA-N -1 3 379.821 3.056 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cs1 ZINC000432083075 567130903 /nfs/dbraw/zinc/13/09/03/567130903.db2.gz VVOOJTBNSVGVOV-UHFFFAOYSA-N -1 3 385.850 3.118 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C2(C(F)(F)F)CCCCC2)ccc1F ZINC000614680960 567131174 /nfs/dbraw/zinc/13/11/74/567131174.db2.gz ZBMJGBZTDCQESS-UHFFFAOYSA-N -1 3 382.379 3.185 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c1 ZINC000474088742 567131800 /nfs/dbraw/zinc/13/18/00/567131800.db2.gz KBFSOWYXRXFJIL-UHFFFAOYSA-N -1 3 382.279 3.425 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1 ZINC000474095421 567131892 /nfs/dbraw/zinc/13/18/92/567131892.db2.gz LRQKUWXMGCHNGU-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@H](O)C(F)(F)F ZINC000497933083 567132467 /nfs/dbraw/zinc/13/24/67/567132467.db2.gz FLYDWMQIBGBECH-QWRGUYRKSA-N -1 3 380.215 3.115 20 0 GGADHM COCC[C@]1([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCOC1 ZINC000683550039 567132828 /nfs/dbraw/zinc/13/28/28/567132828.db2.gz UVMXERASTNXMQZ-HNNXBMFYSA-N -1 3 382.309 3.084 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000683571952 567133132 /nfs/dbraw/zinc/13/31/32/567133132.db2.gz AJASQCCKPKUSTP-CQSZACIVSA-N -1 3 391.265 3.217 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c1 ZINC000474101475 567134026 /nfs/dbraw/zinc/13/40/26/567134026.db2.gz VMVJACPFOYNUAP-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000546537231 567135171 /nfs/dbraw/zinc/13/51/71/567135171.db2.gz NUBGSSWGAZHDBU-UHFFFAOYSA-N -1 3 386.267 3.275 20 0 GGADHM Cn1ccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2)c2ccc(Cl)cc2)n1 ZINC000546536984 567135670 /nfs/dbraw/zinc/13/56/70/567135670.db2.gz GZFDKBXFHMOPRW-QGZVFWFLSA-N -1 3 379.844 3.281 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000546568089 567137094 /nfs/dbraw/zinc/13/70/94/567137094.db2.gz YJXASFHCYGCDJD-UHFFFAOYSA-N -1 3 382.835 3.289 20 0 GGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474120431 567136987 /nfs/dbraw/zinc/13/69/87/567136987.db2.gz YCQFRDWGPVCLKQ-MWLCHTKSSA-N -1 3 396.228 3.051 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283708 567137186 /nfs/dbraw/zinc/13/71/86/567137186.db2.gz GMVIHAHNTNSJHU-LBPRGKRZSA-N -1 3 390.281 3.364 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCCc1cccc(Br)c1)C2 ZINC000636283549 567137373 /nfs/dbraw/zinc/13/73/73/567137373.db2.gz DNEYBZHVNFCVKO-UHFFFAOYSA-N -1 3 376.254 3.118 20 0 GGADHM CC[C@H](Cc1ccccc1Br)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283706 567137496 /nfs/dbraw/zinc/13/74/96/567137496.db2.gz GMVIHAHNTNSJHU-GFCCVEGCSA-N -1 3 390.281 3.364 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1C ZINC000614769872 567137706 /nfs/dbraw/zinc/13/77/06/567137706.db2.gz ZMOCLPQYYMRJSW-UHFFFAOYSA-N -1 3 378.475 3.157 20 0 GGADHM Cc1cc(CCC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)ccc1Br ZINC000636284116 567137916 /nfs/dbraw/zinc/13/79/16/567137916.db2.gz LOFLYPZHNIEXGM-UHFFFAOYSA-N -1 3 376.254 3.037 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(c3ccc(Br)cc3)CCC1)C2 ZINC000636284516 567138303 /nfs/dbraw/zinc/13/83/03/567138303.db2.gz YURWJENLWDOEAX-UHFFFAOYSA-N -1 3 388.265 3.217 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000474131984 567138474 /nfs/dbraw/zinc/13/84/74/567138474.db2.gz KIJAAKQZNURVNF-CZUORRHYSA-N -1 3 396.306 3.367 20 0 GGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cc(C)ccc2Br)cc1 ZINC000497980659 567138652 /nfs/dbraw/zinc/13/86/52/567138652.db2.gz BNUKQEQUPXFUJI-MRXNPFEDSA-N -1 3 398.322 3.332 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@@H](O)C(F)(F)F ZINC000497978159 567138937 /nfs/dbraw/zinc/13/89/37/567138937.db2.gz CMFVHBQFGULZHA-PSASIEDQSA-N -1 3 399.740 3.339 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@H](O)C(F)(F)F ZINC000497978162 567139065 /nfs/dbraw/zinc/13/90/65/567139065.db2.gz CMFVHBQFGULZHA-WPRPVWTQSA-N -1 3 399.740 3.339 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000497979151 567139141 /nfs/dbraw/zinc/13/91/41/567139141.db2.gz RCAOYMRGXASLFR-MNOVXSKESA-N -1 3 380.215 3.282 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(C)c1ccccc1Br)C2 ZINC000636285961 567139477 /nfs/dbraw/zinc/13/94/77/567139477.db2.gz HPHYJJXBTXVGGP-UHFFFAOYSA-N -1 3 376.254 3.073 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@@H](O)C(F)(F)F ZINC000497978161 567139655 /nfs/dbraw/zinc/13/96/55/567139655.db2.gz CMFVHBQFGULZHA-WCBMZHEXSA-N -1 3 399.740 3.339 20 0 GGADHM COC(=O)c1cc(NC(=O)c2ccc3n[n-]nc3c2)c(C)cc1Br ZINC000588862663 567140559 /nfs/dbraw/zinc/14/05/59/567140559.db2.gz AAUXBCWFDYWOLJ-UHFFFAOYSA-N -1 3 389.209 3.068 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@@H](O)C(F)(F)F ZINC000497983484 567140820 /nfs/dbraw/zinc/14/08/20/567140820.db2.gz NCXCLMZCIAXRPZ-TZMCWYRMSA-N -1 3 381.803 3.473 20 0 GGADHM CC(C)n1cc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000432257431 567141105 /nfs/dbraw/zinc/14/11/05/567141105.db2.gz HBBDIYJYAQCVAL-OAHLLOKOSA-N -1 3 375.416 3.479 20 0 GGADHM CCOc1c(Cl)cc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)cc1Cl ZINC000588851394 567141147 /nfs/dbraw/zinc/14/11/47/567141147.db2.gz SPBAKZHYUNKYJO-UHFFFAOYSA-N -1 3 384.281 3.333 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)s1 ZINC000546598516 567141157 /nfs/dbraw/zinc/14/11/57/567141157.db2.gz IPAMEECYLWDEAD-CRAIPNDOSA-N -1 3 380.535 3.460 20 0 GGADHM CC(C)n1cc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000432257425 567141387 /nfs/dbraw/zinc/14/13/87/567141387.db2.gz HBBDIYJYAQCVAL-HNNXBMFYSA-N -1 3 375.416 3.479 20 0 GGADHM CN(CC(C)(C)C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000588860895 567141511 /nfs/dbraw/zinc/14/15/11/567141511.db2.gz CRJPRMZERHZRPW-UHFFFAOYSA-N -1 3 386.564 3.406 20 0 GGADHM CNc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000566247594 567142236 /nfs/dbraw/zinc/14/22/36/567142236.db2.gz YZGXKGKZOIZINO-UHFFFAOYSA-N -1 3 385.486 3.258 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)nc1C ZINC000432259079 567142387 /nfs/dbraw/zinc/14/23/87/567142387.db2.gz NLUQJUOXTHPHHN-CQSZACIVSA-N -1 3 375.416 3.226 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498024553 567143515 /nfs/dbraw/zinc/14/35/15/567143515.db2.gz DWESWNREQLVLOB-ZDUSSCGKSA-N -1 3 385.265 3.425 20 0 GGADHM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1=O ZINC000474179557 567143740 /nfs/dbraw/zinc/14/37/40/567143740.db2.gz BATCSIQRALPQPB-SNVBAGLBSA-N -1 3 398.834 3.037 20 0 GGADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000498021109 567143942 /nfs/dbraw/zinc/14/39/42/567143942.db2.gz ASKQNWOGGQMZSI-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432273466 567144470 /nfs/dbraw/zinc/14/44/70/567144470.db2.gz AFBVLXZJYIZSFC-AWEZNQCLSA-N -1 3 375.416 3.051 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc(C(=O)OC)c2C)cn1 ZINC000546634091 567144623 /nfs/dbraw/zinc/14/46/23/567144623.db2.gz ZNQMMQMOUJVVSQ-UHFFFAOYSA-N -1 3 384.841 3.030 20 0 GGADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)ccc2s1 ZINC000588901113 567144690 /nfs/dbraw/zinc/14/46/90/567144690.db2.gz IAWAGJOZNGKCIU-QMMMGPOBSA-N -1 3 381.397 3.307 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(F)c1)c1ccc(Br)cc1 ZINC000588904889 567144941 /nfs/dbraw/zinc/14/49/41/567144941.db2.gz SPJNDDLIXTXRMS-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)cc1 ZINC000614875287 567145560 /nfs/dbraw/zinc/14/55/60/567145560.db2.gz GIJHOYFXRLGKBN-UHFFFAOYSA-N -1 3 382.869 3.288 20 0 GGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000683708942 567146598 /nfs/dbraw/zinc/14/65/98/567146598.db2.gz CTRKHQOEPRHHJI-UHFFFAOYSA-N -1 3 385.314 3.496 20 0 GGADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614920743 567147019 /nfs/dbraw/zinc/14/70/19/567147019.db2.gz GINZYMYRHRMYNE-UHFFFAOYSA-N -1 3 382.898 3.219 20 0 GGADHM Cc1cc(CC(C)(C)C(=O)NCCCc2cc(=O)[nH][n-]2)ccc1Br ZINC000614914090 567147413 /nfs/dbraw/zinc/14/74/13/567147413.db2.gz HZDWLPAVFXCOFD-UHFFFAOYSA-N -1 3 394.313 3.099 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000546664451 567148577 /nfs/dbraw/zinc/14/85/77/567148577.db2.gz DPSUOMGASCJCQT-UHFFFAOYSA-N -1 3 383.231 3.466 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1cc(Cl)cc(Cl)c1 ZINC000523296981 567149314 /nfs/dbraw/zinc/14/93/14/567149314.db2.gz UGDGGCLIDITROW-UHFFFAOYSA-N -1 3 392.235 3.478 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCCC2)s1 ZINC000523295618 567149676 /nfs/dbraw/zinc/14/96/76/567149676.db2.gz WLACYNMQNAGTPW-UHFFFAOYSA-N -1 3 383.466 3.422 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000474220826 567149871 /nfs/dbraw/zinc/14/98/71/567149871.db2.gz WFYORTOLLJQVPX-UHFFFAOYSA-N -1 3 377.359 3.340 20 0 GGADHM NC(=O)c1csc(=NCC2(c3ccc(Cl)cc3Cl)CCOCC2)[n-]1 ZINC000432330712 567150116 /nfs/dbraw/zinc/15/01/16/567150116.db2.gz DYYMDRJNOBTPON-UHFFFAOYSA-N -1 3 386.304 3.131 20 0 GGADHM COc1cccc2c(C(=O)Nc3cccc(I)c3)[n-]nc21 ZINC000589049450 567151146 /nfs/dbraw/zinc/15/11/46/567151146.db2.gz BEPCTCOUTSCMPO-UHFFFAOYSA-N -1 3 393.184 3.428 20 0 GGADHM COc1cccc2c(C(=O)Nc3cccc(I)c3)n[n-]c21 ZINC000589049450 567151152 /nfs/dbraw/zinc/15/11/52/567151152.db2.gz BEPCTCOUTSCMPO-UHFFFAOYSA-N -1 3 393.184 3.428 20 0 GGADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000546715659 567151373 /nfs/dbraw/zinc/15/13/73/567151373.db2.gz ZVADTMNDXCMCKM-CHWSQXEVSA-N -1 3 398.575 3.454 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000683759168 567151910 /nfs/dbraw/zinc/15/19/10/567151910.db2.gz JDNQZAQHHMPHDA-UHFFFAOYSA-N -1 3 380.897 3.427 20 0 GGADHM O=C([N-]c1nnc2[nH]cnn12)C1(c2cccc(Br)c2)CCCCC1 ZINC000614990901 567152155 /nfs/dbraw/zinc/15/21/55/567152155.db2.gz IVZVKXXZWGXJLL-UHFFFAOYSA-N -1 3 389.257 3.056 20 0 GGADHM CCCc1nnc([N-]C(=O)c2cc(I)ccc2F)s1 ZINC000474253743 567152402 /nfs/dbraw/zinc/15/24/02/567152402.db2.gz NFEPOMYFYQUQLW-UHFFFAOYSA-N -1 3 391.209 3.487 20 0 GGADHM O=C([N-]c1nnc2[nH]cnn12)C1(c2ccc(Br)cc2)CCCCC1 ZINC000614992152 567152398 /nfs/dbraw/zinc/15/23/98/567152398.db2.gz YGFCEBQCYOUWNL-UHFFFAOYSA-N -1 3 389.257 3.056 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)n(C2CCN(C)CC2)n1 ZINC000432360267 567153390 /nfs/dbraw/zinc/15/33/90/567153390.db2.gz VBGGNGKAMNZKPG-UHFFFAOYSA-N -1 3 382.917 3.221 20 0 GGADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000566368839 567153495 /nfs/dbraw/zinc/15/34/95/567153495.db2.gz SSHNFHRVFPPPRT-IRXDYDNUSA-N -1 3 398.297 3.030 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)c[nH]1 ZINC000683764191 567153741 /nfs/dbraw/zinc/15/37/41/567153741.db2.gz UOCHCLSBFIZEDV-UHFFFAOYSA-N -1 3 380.470 3.274 20 0 GGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000566374289 567153770 /nfs/dbraw/zinc/15/37/70/567153770.db2.gz YKUBIELSFQFXMW-UHFFFAOYSA-N -1 3 390.475 3.121 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2ccc(C)n(C)c2=O)c1Cl ZINC000683762233 567154017 /nfs/dbraw/zinc/15/40/17/567154017.db2.gz XNCKEAUPFFGYRI-UHFFFAOYSA-N -1 3 389.304 3.096 20 0 GGADHM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546769635 567156055 /nfs/dbraw/zinc/15/60/55/567156055.db2.gz SIFWCJJPQXTJCO-LBPRGKRZSA-N -1 3 386.267 3.407 20 0 GGADHM CC1CCC(N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000683820830 567156918 /nfs/dbraw/zinc/15/69/18/567156918.db2.gz BMKZUQWZTWPARJ-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccc(CC)cc1 ZINC000589123468 567157997 /nfs/dbraw/zinc/15/79/97/567157997.db2.gz TXBRDLKMDORWFE-RISCZKNCSA-N -1 3 381.416 3.114 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccc(CC)cc1 ZINC000589123465 567158035 /nfs/dbraw/zinc/15/80/35/567158035.db2.gz TXBRDLKMDORWFE-BXUZGUMPSA-N -1 3 381.416 3.114 20 0 GGADHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000546781567 567159155 /nfs/dbraw/zinc/15/91/55/567159155.db2.gz PIJLCBKXUCUCBR-QWHCGFSZSA-N -1 3 375.899 3.027 20 0 GGADHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000546781566 567159522 /nfs/dbraw/zinc/15/95/22/567159522.db2.gz PIJLCBKXUCUCBR-OLZOCXBDSA-N -1 3 375.899 3.027 20 0 GGADHM CCCc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)co1 ZINC000546788270 567159815 /nfs/dbraw/zinc/15/98/15/567159815.db2.gz IAYMQTLYUSTPRE-UHFFFAOYSA-N -1 3 376.214 3.427 20 0 GGADHM CC(C)COc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000432418984 567159934 /nfs/dbraw/zinc/15/99/34/567159934.db2.gz XZOQUHKQOAPLKF-OAHLLOKOSA-N -1 3 390.933 3.277 20 0 GGADHM CC(C)COc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000432418983 567160132 /nfs/dbraw/zinc/16/01/32/567160132.db2.gz XZOQUHKQOAPLKF-HNNXBMFYSA-N -1 3 390.933 3.277 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1ccc(Cl)cc1 ZINC000523524623 567160273 /nfs/dbraw/zinc/16/02/73/567160273.db2.gz WXKWCVWANVTNCY-NSHDSACASA-N -1 3 391.301 3.139 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cccc2nn[n-]c21 ZINC000683887613 567160390 /nfs/dbraw/zinc/16/03/90/567160390.db2.gz REINAHYVJHRFJU-GFCCVEGCSA-N -1 3 375.251 3.297 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cccc2[n-]nnc21 ZINC000683887613 567160393 /nfs/dbraw/zinc/16/03/93/567160393.db2.gz REINAHYVJHRFJU-GFCCVEGCSA-N -1 3 375.251 3.297 20 0 GGADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cccc2n[n-]nc21 ZINC000683887613 567160394 /nfs/dbraw/zinc/16/03/94/567160394.db2.gz REINAHYVJHRFJU-GFCCVEGCSA-N -1 3 375.251 3.297 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(O)c2ccccc12 ZINC000523507962 567160452 /nfs/dbraw/zinc/16/04/52/567160452.db2.gz SBUGUDSGVHJZCB-UHFFFAOYSA-N -1 3 396.877 3.177 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1Cl ZINC000683924885 567161970 /nfs/dbraw/zinc/16/19/70/567161970.db2.gz QBTOLHOYQHBXSV-UHFFFAOYSA-N -1 3 380.897 3.446 20 0 GGADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1cncc(Br)c1 ZINC000523566113 567162203 /nfs/dbraw/zinc/16/22/03/567162203.db2.gz LHZYWKWPOGDZFF-UHFFFAOYSA-N -1 3 381.251 3.111 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(C)C)cn1C ZINC000589169172 567162641 /nfs/dbraw/zinc/16/26/41/567162641.db2.gz VEYFUAFEPUNXDM-HNNXBMFYSA-N -1 3 375.416 3.423 20 0 GGADHM CCc1cccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c1[O-] ZINC000615128646 567162748 /nfs/dbraw/zinc/16/27/48/567162748.db2.gz YUZATTLCHYVNQY-AWEZNQCLSA-N -1 3 391.265 3.406 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)s1 ZINC000474370466 567164010 /nfs/dbraw/zinc/16/40/10/567164010.db2.gz CLTDKZRBNIQFDR-NSHDSACASA-N -1 3 392.333 3.316 20 0 GGADHM CCc1cc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)ccc1[O-] ZINC000615129927 567164359 /nfs/dbraw/zinc/16/43/59/567164359.db2.gz VNVXYYRZCVRXGE-HNNXBMFYSA-N -1 3 391.265 3.406 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2)CCN1c1ccc(Cl)cc1Cl ZINC000474384022 567165171 /nfs/dbraw/zinc/16/51/71/567165171.db2.gz HIIWBGQXRJFUFK-OAHLLOKOSA-N -1 3 399.299 3.218 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)C2CCCCC2)CCN1c1ccc(Cl)cc1Cl ZINC000474380021 567165365 /nfs/dbraw/zinc/16/53/65/567165365.db2.gz WOKDOQSNBCCJJQ-CQSZACIVSA-N -1 3 391.320 3.351 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@@H]1CCCO1 ZINC000683954704 567165477 /nfs/dbraw/zinc/16/54/77/567165477.db2.gz LENWKNOVCKUQTJ-OLZOCXBDSA-N -1 3 382.309 3.083 20 0 GGADHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1(C)C ZINC000474378637 567165613 /nfs/dbraw/zinc/16/56/13/567165613.db2.gz RJZDXDOKARZEND-WBMJQRKESA-N -1 3 396.336 3.146 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000474386534 567166557 /nfs/dbraw/zinc/16/65/57/567166557.db2.gz CVHCUAHHULVSLA-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C1 ZINC000474389851 567166718 /nfs/dbraw/zinc/16/67/18/567166718.db2.gz FHVJNJVNQCCDEK-UHFFFAOYSA-N -1 3 382.309 3.486 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2ccc(Br)cc2)c1[O-] ZINC000474385018 567166735 /nfs/dbraw/zinc/16/67/35/567166735.db2.gz SJJLZWXARRBQIW-UHFFFAOYSA-N -1 3 397.656 3.485 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)s1 ZINC000546871322 567166931 /nfs/dbraw/zinc/16/69/31/567166931.db2.gz XNPHQBZJWXHMKX-GFCCVEGCSA-N -1 3 383.491 3.015 20 0 GGADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523694613 567167818 /nfs/dbraw/zinc/16/78/18/567167818.db2.gz CWKDEQWJCNFGLN-SECBINFHSA-N -1 3 382.898 3.075 20 0 GGADHM COCc1nc(S[C@H](C(=O)N2CCSc3ccccc32)C(C)C)n[n-]1 ZINC000474396250 567168203 /nfs/dbraw/zinc/16/82/03/567168203.db2.gz OYVXRXRNWXQJCZ-HNNXBMFYSA-N -1 3 378.523 3.207 20 0 GGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2csc(C(=O)OC)c2)c(C)c1 ZINC000474397642 567168342 /nfs/dbraw/zinc/16/83/42/567168342.db2.gz RYFLQQCCBCSGKH-UHFFFAOYSA-N -1 3 383.491 3.110 20 0 GGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCC3)cc2F)c1 ZINC000546880455 567168800 /nfs/dbraw/zinc/16/88/00/567168800.db2.gz WIGDORZJPWPJNU-UHFFFAOYSA-N -1 3 377.363 3.083 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)c1 ZINC000523733511 567168946 /nfs/dbraw/zinc/16/89/46/567168946.db2.gz ARDKIKGRMZQMNP-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM CSc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC000566592856 567170228 /nfs/dbraw/zinc/17/02/28/567170228.db2.gz YPSJVNORNNDOTB-UHFFFAOYSA-N -1 3 388.873 3.118 20 0 GGADHM CC1(C)CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000566593369 567170270 /nfs/dbraw/zinc/17/02/70/567170270.db2.gz AGJVAIWAVYIVPT-UHFFFAOYSA-N -1 3 378.519 3.131 20 0 GGADHM COc1ccc(CNC[C@@H](CO)Cc2ccc(F)cc2)c(Br)c1[O-] ZINC000546893281 567170471 /nfs/dbraw/zinc/17/04/71/567170471.db2.gz RBTPNIZHBINVBI-ZDUSSCGKSA-N -1 3 398.272 3.243 20 0 GGADHM O=S(=O)([N-]CCCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 ZINC000615214937 567170753 /nfs/dbraw/zinc/17/07/53/567170753.db2.gz JYEMIIZLHVZMSR-UHFFFAOYSA-N -1 3 399.847 3.018 20 0 GGADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000615252868 567172797 /nfs/dbraw/zinc/17/27/97/567172797.db2.gz NYLONIKTFBHCKU-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM CCc1[nH]nc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1Br ZINC000684044743 567172912 /nfs/dbraw/zinc/17/29/12/567172912.db2.gz GZWFNLOSPJSWQY-UHFFFAOYSA-N -1 3 392.282 3.429 20 0 GGADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[N-]S(=O)(=O)c1cccs1 ZINC000615246648 567173707 /nfs/dbraw/zinc/17/37/07/567173707.db2.gz NAGVJBFNJDNQRC-QGZVFWFLSA-N -1 3 378.563 3.499 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)c3ccccc3Cl)cnc2c1Cl ZINC000432630554 567173853 /nfs/dbraw/zinc/17/38/53/567173853.db2.gz FOVQZEONZBWJSQ-SECBINFHSA-N -1 3 385.276 3.384 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000523852073 567174205 /nfs/dbraw/zinc/17/42/05/567174205.db2.gz KDLVFZNEZRXZBQ-AWEZNQCLSA-N -1 3 387.910 3.488 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000523852074 567174497 /nfs/dbraw/zinc/17/44/97/567174497.db2.gz KDLVFZNEZRXZBQ-CQSZACIVSA-N -1 3 387.910 3.488 20 0 GGADHM COc1ccc(CN2CCN3CCOc4cccc2c43)c(Br)c1[O-] ZINC000546963000 567174490 /nfs/dbraw/zinc/17/44/90/567174490.db2.gz AIZOPYSHSWANCO-UHFFFAOYSA-N -1 3 391.265 3.382 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)nnn1-c1cccc(Cl)c1 ZINC000615281902 567175109 /nfs/dbraw/zinc/17/51/09/567175109.db2.gz BRIUNCOBCFQWTE-UHFFFAOYSA-N -1 3 388.762 3.352 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1ccccc1F ZINC000615298060 567177346 /nfs/dbraw/zinc/17/73/46/567177346.db2.gz AAJNJDVVSAVRHA-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000615299290 567177360 /nfs/dbraw/zinc/17/73/60/567177360.db2.gz KSFYTRMIHCQBNA-ZDUSSCGKSA-N -1 3 396.306 3.466 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000615299289 567177401 /nfs/dbraw/zinc/17/74/01/567177401.db2.gz KSFYTRMIHCQBNA-CYBMUJFWSA-N -1 3 396.306 3.466 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2F)cc1OC ZINC000615293466 567177442 /nfs/dbraw/zinc/17/74/42/567177442.db2.gz SJIFVFDVMRORFI-VIFPVBQESA-N -1 3 375.368 3.161 20 0 GGADHM Cc1ccnc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000546995927 567177755 /nfs/dbraw/zinc/17/77/55/567177755.db2.gz VJULXAULWJKAFZ-NSHDSACASA-N -1 3 378.841 3.133 20 0 GGADHM Cc1oc(C(=O)[N-]c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000637101150 567178210 /nfs/dbraw/zinc/17/82/10/567178210.db2.gz CBJPNMGNHVHZPQ-UHFFFAOYSA-N -1 3 386.832 3.417 20 0 GGADHM Cc1nc(C)c(Cc2nc(Cc3ccc(Br)s3)no2)c(=O)[n-]1 ZINC000546982228 567178867 /nfs/dbraw/zinc/17/88/67/567178867.db2.gz YVOYHLIVLDOYCM-UHFFFAOYSA-N -1 3 381.255 3.188 20 0 GGADHM CC(C)COCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589887757 567198094 /nfs/dbraw/zinc/19/80/94/567198094.db2.gz GUEGHXZNYGYZPW-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)cs1 ZINC000684107883 567179198 /nfs/dbraw/zinc/17/91/98/567179198.db2.gz UTJUDCJJSNSSBT-UHFFFAOYSA-N -1 3 383.495 3.334 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000474571162 567179470 /nfs/dbraw/zinc/17/94/70/567179470.db2.gz YKKBHRUXPPNHIJ-UHFFFAOYSA-N -1 3 375.841 3.304 20 0 GGADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccc(OC(F)F)c(F)c1 ZINC000684106524 567179687 /nfs/dbraw/zinc/17/96/87/567179687.db2.gz RWIANBQRXCTTGQ-UHFFFAOYSA-N -1 3 381.322 3.497 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)Cc1csc(C)n1)OC(C)C ZINC000684105830 567179781 /nfs/dbraw/zinc/17/97/81/567179781.db2.gz MZICUHXOOFFDIX-QGZVFWFLSA-N -1 3 384.523 3.046 20 0 GGADHM CC(C)Cc1nc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cs1 ZINC000547041452 567180077 /nfs/dbraw/zinc/18/00/77/567180077.db2.gz LIMLYSKHBOSFPV-UHFFFAOYSA-N -1 3 378.479 3.430 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1ccccc1 ZINC000566704285 567181243 /nfs/dbraw/zinc/18/12/43/567181243.db2.gz NMZOMSWUPDAZNB-KGLIPLIRSA-N -1 3 381.416 3.331 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1C ZINC000589512056 567181395 /nfs/dbraw/zinc/18/13/95/567181395.db2.gz JAFNQNLAKUXYDA-NWDGAFQWSA-N -1 3 378.947 3.107 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1ccccc1 ZINC000566704287 567181466 /nfs/dbraw/zinc/18/14/66/567181466.db2.gz NMZOMSWUPDAZNB-ZIAGYGMSSA-N -1 3 381.416 3.331 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@H]1C ZINC000589512059 567182172 /nfs/dbraw/zinc/18/21/72/567182172.db2.gz JAFNQNLAKUXYDA-VXGBXAGGSA-N -1 3 378.947 3.107 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@@H]1C ZINC000589512057 567182240 /nfs/dbraw/zinc/18/22/40/567182240.db2.gz JAFNQNLAKUXYDA-RYUDHWBXSA-N -1 3 378.947 3.107 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000615474991 567187038 /nfs/dbraw/zinc/18/70/38/567187038.db2.gz NXLCRDXTUPDAML-DMDPSCGWSA-N -1 3 381.270 3.097 20 0 GGADHM COc1ccc(COCCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000589620757 567188418 /nfs/dbraw/zinc/18/84/18/567188418.db2.gz BTKXKXMQAWGAIB-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)Cc1ccc(Br)cc1 ZINC000589626249 567188730 /nfs/dbraw/zinc/18/87/30/567188730.db2.gz DTEPZICPDHGJEY-UHFFFAOYSA-N -1 3 387.299 3.354 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1CO ZINC000432783167 567190371 /nfs/dbraw/zinc/19/03/71/567190371.db2.gz YFJJUNYVVZOBFC-UHFFFAOYSA-N -1 3 385.869 3.349 20 0 GGADHM COc1ccc(Br)c2[nH]c(C(=O)Nc3nnc(SC)[n-]3)cc21 ZINC000589691866 567190674 /nfs/dbraw/zinc/19/06/74/567190674.db2.gz IQRCEBBIHAHIKH-UHFFFAOYSA-N -1 3 382.243 3.031 20 0 GGADHM COc1ccc(Br)c2[nH]c(C(=O)Nc3nc(SC)n[n-]3)cc21 ZINC000589691866 567190684 /nfs/dbraw/zinc/19/06/84/567190684.db2.gz IQRCEBBIHAHIKH-UHFFFAOYSA-N -1 3 382.243 3.031 20 0 GGADHM COc1ccc(Br)c2[nH]c(C(=O)Nc3n[n-]c(SC)n3)cc21 ZINC000589691866 567190688 /nfs/dbraw/zinc/19/06/88/567190688.db2.gz IQRCEBBIHAHIKH-UHFFFAOYSA-N -1 3 382.243 3.031 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccs1 ZINC000589697732 567190816 /nfs/dbraw/zinc/19/08/16/567190816.db2.gz NXSMFUMVMQQTRR-MRVPVSSYSA-N -1 3 399.437 3.411 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC ZINC000524312638 567192786 /nfs/dbraw/zinc/19/27/86/567192786.db2.gz AALBCLSGTYLQAY-ZDUSSCGKSA-N -1 3 398.706 3.113 20 0 GGADHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)n1 ZINC000547241721 567193331 /nfs/dbraw/zinc/19/33/31/567193331.db2.gz SANQRJNWQQECPB-KRWDZBQOSA-N -1 3 379.844 3.281 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC000524331446 567193632 /nfs/dbraw/zinc/19/36/32/567193632.db2.gz LDRHFOSMEIJZKB-QGZVFWFLSA-N -1 3 379.844 3.281 20 0 GGADHM COc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc(OC)c1[O-] ZINC000547271739 567195028 /nfs/dbraw/zinc/19/50/28/567195028.db2.gz XOATVNBMCOZUFA-KBPBESRZSA-N -1 3 392.249 3.458 20 0 GGADHM C[C@@H](c1cccc(Br)c1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000566843279 567195961 /nfs/dbraw/zinc/19/59/61/567195961.db2.gz QDRMMMGWVLTOQW-JTQLQIEISA-N -1 3 397.294 3.498 20 0 GGADHM CC(C)C(NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(C)C ZINC000684292248 567197343 /nfs/dbraw/zinc/19/73/43/567197343.db2.gz ZNGZQNVYCOUOBB-UHFFFAOYSA-N -1 3 380.432 3.487 20 0 GGADHM CC(C)COc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000566871051 567198220 /nfs/dbraw/zinc/19/82/20/567198220.db2.gz MWXMGOWUYXXKPA-UHFFFAOYSA-N -1 3 382.507 3.090 20 0 GGADHM C[C@@H]1CN(CCCN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CCCO1 ZINC000432856219 567198610 /nfs/dbraw/zinc/19/86/10/567198610.db2.gz YUIHIYHEHNRRDU-CQSZACIVSA-N -1 3 380.945 3.117 20 0 GGADHM CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000547307491 567198871 /nfs/dbraw/zinc/19/88/71/567198871.db2.gz VXBADLZECCUGTD-UHFFFAOYSA-N -1 3 398.278 3.130 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@H]3CCC[C@H]32)cc(C(F)(F)F)c1 ZINC000684298912 567198850 /nfs/dbraw/zinc/19/88/50/567198850.db2.gz PUIMSVUZAKTQKO-QMTHXVAHSA-N -1 3 376.400 3.092 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc(C(F)(F)F)c1 ZINC000684298914 567199571 /nfs/dbraw/zinc/19/95/71/567199571.db2.gz PUIMSVUZAKTQKO-YGRLFVJLSA-N -1 3 376.400 3.092 20 0 GGADHM COC(=O)c1ccc(-c2nc(-c3cccc(I)c3)no2)[n-]1 ZINC000589950029 567199767 /nfs/dbraw/zinc/19/97/67/567199767.db2.gz HAVMTKPNJAJHEX-UHFFFAOYSA-N -1 3 395.156 3.123 20 0 GGADHM C[C@@]1(CCC(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CCC(=O)N1 ZINC000547324009 567200578 /nfs/dbraw/zinc/20/05/78/567200578.db2.gz HKICQOQAWUVBTL-MRXNPFEDSA-N -1 3 382.251 3.166 20 0 GGADHM COc1ccc(C(=O)N2CCOc3c(Br)cccc3C2)c([O-])c1 ZINC000684332021 567202826 /nfs/dbraw/zinc/20/28/26/567202826.db2.gz ZKMRSZONMVCJIV-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c(Cl)c1Cl ZINC000547340958 567203133 /nfs/dbraw/zinc/20/31/33/567203133.db2.gz ZJURVWKVJWVPNX-HZPDHXFCSA-N -1 3 394.320 3.486 20 0 GGADHM C[C@H](CC(F)(F)F)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547363565 567204627 /nfs/dbraw/zinc/20/46/27/567204627.db2.gz MMKLLPYFOKRIQJ-SSDOTTSWSA-N -1 3 377.160 3.361 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)c2ccccc21 ZINC000498849908 567205363 /nfs/dbraw/zinc/20/53/63/567205363.db2.gz LQQGAISARCAYEM-CYBMUJFWSA-N -1 3 384.226 3.194 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)CCCO1 ZINC000566972158 567206053 /nfs/dbraw/zinc/20/60/53/567206053.db2.gz UTKQAVNHMPOAIK-CYBMUJFWSA-N -1 3 382.707 3.091 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000590178597 567211656 /nfs/dbraw/zinc/21/16/56/567211656.db2.gz GEIXLSBEXSUMRD-UMSPYCQHSA-N -1 3 385.894 3.413 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)OCCc2sccc21 ZINC000567087737 567216759 /nfs/dbraw/zinc/21/67/59/567216759.db2.gz CXUCEJGJSFWHAB-MRXNPFEDSA-N -1 3 389.901 3.448 20 0 GGADHM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1Cl ZINC000590290441 567217636 /nfs/dbraw/zinc/21/76/36/567217636.db2.gz AASYNQAPRUNTFI-UHFFFAOYSA-N -1 3 380.897 3.419 20 0 GGADHM O=C(NCCCN=c1[nH]c2cc(Cl)cc(Cl)c2o1)c1cccc([O-])c1 ZINC000433046872 567218482 /nfs/dbraw/zinc/21/84/82/567218482.db2.gz QVCIGUFGIOMRRO-UHFFFAOYSA-N -1 3 380.231 3.494 20 0 GGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100660 567218914 /nfs/dbraw/zinc/21/89/14/567218914.db2.gz VVYBEXMTGOFRFP-STQMWFEESA-N -1 3 382.835 3.264 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000684588064 567219069 /nfs/dbraw/zinc/21/90/69/567219069.db2.gz SLVSQAAHJZONKK-ZDUSSCGKSA-N -1 3 377.771 3.310 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)c(Br)c1 ZINC000684590558 567219151 /nfs/dbraw/zinc/21/91/51/567219151.db2.gz YHXVNLGEUZJPRI-UHFFFAOYSA-N -1 3 390.221 3.467 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000684603295 567220834 /nfs/dbraw/zinc/22/08/34/567220834.db2.gz BAUUIFLDMUQSIU-NWDGAFQWSA-N -1 3 375.418 3.193 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1cccs1 ZINC000616068409 567223897 /nfs/dbraw/zinc/22/38/97/567223897.db2.gz HTHYRSDZIYKNMJ-SECBINFHSA-N -1 3 379.912 3.354 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)OCC ZINC000525008822 567224438 /nfs/dbraw/zinc/22/44/38/567224438.db2.gz PPECRNVRTMTKTG-UHFFFAOYSA-N -1 3 393.303 3.014 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)nnn1C ZINC000525003417 567224837 /nfs/dbraw/zinc/22/48/37/567224837.db2.gz GCDDVJYOAYTIKP-UHFFFAOYSA-N -1 3 380.886 3.173 20 0 GGADHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C ZINC000567182319 567225023 /nfs/dbraw/zinc/22/50/23/567225023.db2.gz FYCJTWOOWYIKOU-CQSZACIVSA-N -1 3 375.416 3.423 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cc(F)ccc1F)c1ccc(Cl)cc1Cl ZINC000684658037 567225387 /nfs/dbraw/zinc/22/53/87/567225387.db2.gz TXAMOVUYZSQALW-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3Cl)nc12 ZINC000684658566 567225681 /nfs/dbraw/zinc/22/56/81/567225681.db2.gz JLHYEJQPXWISHJ-UHFFFAOYSA-N -1 3 384.288 3.471 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000499114179 567225964 /nfs/dbraw/zinc/22/59/64/567225964.db2.gz MGQHIJWVOMEJEH-GFCCVEGCSA-N -1 3 385.265 3.473 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1Br)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000659796297 567226463 /nfs/dbraw/zinc/22/64/63/567226463.db2.gz KHCJWQLHOCETOY-USXIJHARSA-N -1 3 382.298 3.448 20 0 GGADHM COCCCOC1CCN([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000659787676 567226530 /nfs/dbraw/zinc/22/65/30/567226530.db2.gz OTNGEEFXMOTQFG-INIZCTEOSA-N -1 3 386.286 3.092 20 0 GGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2ncc(Br)s2)n1 ZINC000590475373 567227892 /nfs/dbraw/zinc/22/78/92/567227892.db2.gz UANIDYVWGGZTAW-UHFFFAOYSA-N -1 3 390.284 3.065 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1C ZINC000567254217 567230963 /nfs/dbraw/zinc/23/09/63/567230963.db2.gz ODEIAQYIROKYPD-UHFFFAOYSA-N -1 3 382.869 3.160 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(C)nc2)c(Cl)c1Cl ZINC000525174251 567231191 /nfs/dbraw/zinc/23/11/91/567231191.db2.gz YVUHIPWLSNRJMG-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM C[C@@H]1CCC(C)(C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000616177296 567231283 /nfs/dbraw/zinc/23/12/83/567231283.db2.gz BVSHCFJIZZXQPH-LLVKDONJSA-N -1 3 393.336 3.451 20 0 GGADHM O=C1[N-]C(=O)N2CCN(Cc3ccc(-c4ccc(Cl)c(Cl)c4)s3)C[C@H]12 ZINC000499233006 567232082 /nfs/dbraw/zinc/23/20/82/567232082.db2.gz LKPOXZVJBQTEPA-CQSZACIVSA-N -1 3 396.299 3.458 20 0 GGADHM C[C@](CO)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000684761781 567233884 /nfs/dbraw/zinc/23/38/84/567233884.db2.gz SAGZZZNCCFYFNC-OAHLLOKOSA-N -1 3 378.252 3.319 20 0 GGADHM Cc1nc(-c2cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c2)cs1 ZINC000567290341 567234563 /nfs/dbraw/zinc/23/45/63/567234563.db2.gz CHRFVATWSGXHPC-UHFFFAOYSA-N -1 3 380.413 3.439 20 0 GGADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000590611102 567235750 /nfs/dbraw/zinc/23/57/50/567235750.db2.gz UYVJGFIZCSIFNF-NSHDSACASA-N -1 3 388.272 3.284 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H](C)S1 ZINC000525205843 567236129 /nfs/dbraw/zinc/23/61/29/567236129.db2.gz URNLXVBDGGREPT-NXEZZACHSA-N -1 3 381.295 3.257 20 0 GGADHM O=C(NCc1cnn(CC(F)(F)F)c1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000547659552 567236268 /nfs/dbraw/zinc/23/62/68/567236268.db2.gz VEICGPSIGJWJBA-UHFFFAOYSA-N -1 3 389.790 3.480 20 0 GGADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000525232999 567237362 /nfs/dbraw/zinc/23/73/62/567237362.db2.gz JJHRWRDTINSBDP-LLVKDONJSA-N -1 3 381.420 3.037 20 0 GGADHM CCc1nc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)cn1CC1CC1 ZINC000659910204 567237695 /nfs/dbraw/zinc/23/76/95/567237695.db2.gz RTFXVTLLPOGRIL-UHFFFAOYSA-N -1 3 380.539 3.060 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C1CCSCC1 ZINC000525243403 567238968 /nfs/dbraw/zinc/23/89/68/567238968.db2.gz SRURMKILQONCFT-UHFFFAOYSA-N -1 3 385.262 3.455 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1Br ZINC000547705070 567239722 /nfs/dbraw/zinc/23/97/22/567239722.db2.gz 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COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000525310187 567242330 /nfs/dbraw/zinc/24/23/30/567242330.db2.gz GRVDDBDTUGMLQF-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM CC1(C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000433333454 567242511 /nfs/dbraw/zinc/24/25/11/567242511.db2.gz DMBXVNRMHKAMSF-CYBMUJFWSA-N -1 3 398.937 3.219 20 0 GGADHM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547742903 567242998 /nfs/dbraw/zinc/24/29/98/567242998.db2.gz OTONRTKOZSLJER-YPMHNXCESA-N -1 3 393.281 3.056 20 0 GGADHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000684905488 567243386 /nfs/dbraw/zinc/24/33/86/567243386.db2.gz BFBGGAQDQNRDSI-MRVPVSSYSA-N -1 3 390.221 3.171 20 0 GGADHM CC[C@H](COCC(F)(F)F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000455188943 567243793 /nfs/dbraw/zinc/24/37/93/567243793.db2.gz UHJLUBDYUZCMSU-SNVBAGLBSA-N -1 3 399.207 3.311 20 0 GGADHM COc1cc(F)ccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000659988433 567244106 /nfs/dbraw/zinc/24/41/06/567244106.db2.gz WZEOKNUDAYARNQ-AWEZNQCLSA-N -1 3 385.379 3.003 20 0 GGADHM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000433342944 567244462 /nfs/dbraw/zinc/24/44/62/567244462.db2.gz LKLJHAUVSHRBQL-OAHLLOKOSA-N -1 3 380.828 3.339 20 0 GGADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000567431602 567244508 /nfs/dbraw/zinc/24/45/08/567244508.db2.gz SLGSNYWVTNECNF-UHFFFAOYSA-N -1 3 378.256 3.072 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1cncc(F)c1 ZINC000684917249 567244760 /nfs/dbraw/zinc/24/47/60/567244760.db2.gz NIYAAWWLGILMIN-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)[C@H]2CCCO[C@H]21 ZINC000684910725 567245128 /nfs/dbraw/zinc/24/51/28/567245128.db2.gz AUVXXRYJDVLNAU-OWYVNGRQSA-N -1 3 392.290 3.070 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCCO1 ZINC000684916268 567245408 /nfs/dbraw/zinc/24/54/08/567245408.db2.gz QVPYITKMJAGDPS-JOYOIKCWSA-N -1 3 382.707 3.338 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H](CC(C)C)c2ccccc2)s1 ZINC000525371424 567245463 /nfs/dbraw/zinc/24/54/63/567245463.db2.gz AUZFLADBJWCZQA-INIZCTEOSA-N -1 3 380.535 3.102 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)[C@H]2CCCO[C@@H]21 ZINC000684910718 567245612 /nfs/dbraw/zinc/24/56/12/567245612.db2.gz AUVXXRYJDVLNAU-FZQKWOKYSA-N -1 3 392.290 3.070 20 0 GGADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1cc(F)cc(Cl)c1 ZINC000433359700 567245632 /nfs/dbraw/zinc/24/56/32/567245632.db2.gz BTECRQFIPXSPOZ-UHFFFAOYSA-N -1 3 383.872 3.314 20 0 GGADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1cccc(Cl)c1F ZINC000433369603 567246045 /nfs/dbraw/zinc/24/60/45/567246045.db2.gz YGBJRCLRGHMXQN-UHFFFAOYSA-N -1 3 383.872 3.314 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CN1C1CC1 ZINC000433435218 567249244 /nfs/dbraw/zinc/24/92/44/567249244.db2.gz GSNIXASWZZYYHY-HTQZYQBOSA-N -1 3 399.763 3.068 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Br)s1 ZINC000433443955 567251156 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SKPJFJAKGIWCKV-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM CC(C)CCOc1ccc([N-]C(=O)c2sccc2S(N)(=O)=O)c(F)c1 ZINC000616719658 567253464 /nfs/dbraw/zinc/25/34/64/567253464.db2.gz YDQVXXZWNZWXQF-UHFFFAOYSA-N -1 3 386.470 3.212 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@]2(CCSC2)C1 ZINC000455254157 567253438 /nfs/dbraw/zinc/25/34/38/567253438.db2.gz WLTBEWCODUFLJG-MRXNPFEDSA-N -1 3 395.326 3.270 20 0 GGADHM O=C(NCC1(c2ccccc2Br)CC1)c1cc(F)cc2nn[n-]c21 ZINC000433483971 567254217 /nfs/dbraw/zinc/25/42/17/567254217.db2.gz NDWMLZWIKRNSDT-UHFFFAOYSA-N -1 3 389.228 3.321 20 0 GGADHM O=C(NCC1(c2ccccc2Br)CC1)c1cc(F)cc2[n-]nnc21 ZINC000433483971 567254223 /nfs/dbraw/zinc/25/42/23/567254223.db2.gz NDWMLZWIKRNSDT-UHFFFAOYSA-N -1 3 389.228 3.321 20 0 GGADHM O=C(NCC1(c2ccccc2Br)CC1)c1cc(F)cc2n[n-]nc21 ZINC000433483971 567254232 /nfs/dbraw/zinc/25/42/32/567254232.db2.gz NDWMLZWIKRNSDT-UHFFFAOYSA-N -1 3 389.228 3.321 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000660064050 567255044 /nfs/dbraw/zinc/25/50/44/567255044.db2.gz ZFKAFFOTGQZMOA-NSHDSACASA-N -1 3 381.306 3.079 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000660063330 567255423 /nfs/dbraw/zinc/25/54/23/567255423.db2.gz SLQZIVDUXFSLPK-FZMZJTMJSA-N -1 3 384.325 3.007 20 0 GGADHM O=S(=O)([N-]CCNCc1cc2ccccc2[nH]1)c1ccc(Cl)cc1F ZINC000685043230 567255382 /nfs/dbraw/zinc/25/53/82/567255382.db2.gz SHBLQJOWAXRYLZ-UHFFFAOYSA-N -1 3 381.860 3.029 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(CC(C)C)CC2)s1 ZINC000660064435 567255563 /nfs/dbraw/zinc/25/55/63/567255563.db2.gz OOQUCRJLAUPRRC-UHFFFAOYSA-N -1 3 386.583 3.310 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl)C1CCCC1 ZINC000660063171 567255806 /nfs/dbraw/zinc/25/58/06/567255806.db2.gz RDIIALBBTGGXJG-GJZGRUSLSA-N -1 3 396.336 3.151 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000475532361 567256014 /nfs/dbraw/zinc/25/60/14/567256014.db2.gz ONLPQBDWXCRPCS-UHFFFAOYSA-N -1 3 375.899 3.295 20 0 GGADHM 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/nfs/dbraw/zinc/25/99/52/567259952.db2.gz XAKQANXIGBFSLA-QWHCGFSZSA-N -1 3 396.559 3.190 20 0 GGADHM C[C@H]1CSc2ccccc2N(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000616829341 567260003 /nfs/dbraw/zinc/26/00/03/567260003.db2.gz NXQJDKBVDFTBSC-CYBMUJFWSA-N -1 3 396.559 3.192 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)C)sc2C)s1 ZINC000499593967 567260152 /nfs/dbraw/zinc/26/01/52/567260152.db2.gz FFJREZUTXKQNDF-LBPRGKRZSA-N -1 3 387.552 3.001 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1nccn1C ZINC000660100532 567261435 /nfs/dbraw/zinc/26/14/35/567261435.db2.gz MFGQLDSZJVYAML-ZETCQYMHSA-N -1 3 396.669 3.015 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)s1 ZINC000660101339 567261448 /nfs/dbraw/zinc/26/14/48/567261448.db2.gz PPOAWUCSEGBNLB-ZDUSSCGKSA-N -1 3 375.462 3.336 20 0 GGADHM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000660112200 567262383 /nfs/dbraw/zinc/26/23/83/567262383.db2.gz IBGVPFDVKRQZCJ-PWSUYJOCSA-N -1 3 379.425 3.210 20 0 GGADHM O=C(Nc1ncccc1[O-])c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000525750491 567262488 /nfs/dbraw/zinc/26/24/88/567262488.db2.gz XLWZSUCKYFZDSZ-UHFFFAOYSA-N -1 3 399.248 3.476 20 0 GGADHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cccc(Br)c1[O-] ZINC000525776041 567263718 /nfs/dbraw/zinc/26/37/18/567263718.db2.gz QJRUHCWBCVNUBC-UHFFFAOYSA-N -1 3 390.237 3.327 20 0 GGADHM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000475649859 567263855 /nfs/dbraw/zinc/26/38/55/567263855.db2.gz LJKKBOQXRFPPCZ-ZANVPECISA-N -1 3 382.404 3.077 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]Cc2cccc(COC[C@H]3CCCO3)c2)c1 ZINC000660131420 567265241 /nfs/dbraw/zinc/26/52/41/567265241.db2.gz XJZYVMKGPKDCAD-QGZVFWFLSA-N -1 3 381.519 3.231 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@H]2C)s1 ZINC000499690739 567266162 /nfs/dbraw/zinc/26/61/62/567266162.db2.gz BOBIOIBOQMRUTL-PIGZYNQJSA-N -1 3 398.937 3.251 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)s1 ZINC000433678313 567266380 /nfs/dbraw/zinc/26/63/80/567266380.db2.gz PFAHCIYGTFCHBF-UHFFFAOYSA-N -1 3 385.458 3.449 20 0 GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000525823236 567266376 /nfs/dbraw/zinc/26/63/76/567266376.db2.gz PSYDQKBJVCDCOM-UHFFFAOYSA-N -1 3 387.910 3.470 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)C[C@@H]3CCCC(F)(F)C3)CCCCC2)no1 ZINC000685294144 567266787 /nfs/dbraw/zinc/26/67/87/567266787.db2.gz SRKYLNNDQDPJPE-CYBMUJFWSA-N -1 3 377.457 3.282 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)s1 ZINC000433684539 567267588 /nfs/dbraw/zinc/26/75/88/567267588.db2.gz ROOAALKSGOZESI-UHFFFAOYSA-N -1 3 382.841 3.493 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 ZINC000525836643 567268599 /nfs/dbraw/zinc/26/85/99/567268599.db2.gz WNEFWZHOMJPZMC-UHFFFAOYSA-N -1 3 389.527 3.310 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)oc1C ZINC000499740252 567269650 /nfs/dbraw/zinc/26/96/50/567269650.db2.gz FIMMUCTUXBTJMO-DYZYQPBXSA-N -1 3 383.853 3.242 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499751033 567270475 /nfs/dbraw/zinc/27/04/75/567270475.db2.gz TUFPIDAFNBPKTE-SNVBAGLBSA-N -1 3 381.828 3.230 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C)o1 ZINC000499744664 567270613 /nfs/dbraw/zinc/27/06/13/567270613.db2.gz VQBROTQPTGOEHC-BTDLBPIBSA-N -1 3 383.853 3.242 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1oc2c(cc(Br)cc2C)c1C ZINC000547979112 567271053 /nfs/dbraw/zinc/27/10/53/567271053.db2.gz WGCZDPJAXKVNAL-GFCCVEGCSA-N -1 3 392.253 3.054 20 0 GGADHM O=C(NCc1n[nH]cc1Br)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000547976256 567271076 /nfs/dbraw/zinc/27/10/76/567271076.db2.gz MSJHOXSMRMERSI-UHFFFAOYSA-N -1 3 386.662 3.207 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)cc1F ZINC000475731535 567271800 /nfs/dbraw/zinc/27/18/00/567271800.db2.gz NUBVSCBKTLPLSD-UHFFFAOYSA-N -1 3 377.359 3.396 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000525870774 567272970 /nfs/dbraw/zinc/27/29/70/567272970.db2.gz CACKEOBOACTLDI-QFYYESIMSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000525870774 567272973 /nfs/dbraw/zinc/27/29/73/567272973.db2.gz CACKEOBOACTLDI-QFYYESIMSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000525870774 567272977 /nfs/dbraw/zinc/27/29/77/567272977.db2.gz CACKEOBOACTLDI-QFYYESIMSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000525870775 567273032 /nfs/dbraw/zinc/27/30/32/567273032.db2.gz CACKEOBOACTLDI-QLJPJBMISA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000525870775 567273038 /nfs/dbraw/zinc/27/30/38/567273038.db2.gz CACKEOBOACTLDI-QLJPJBMISA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000525870775 567273042 /nfs/dbraw/zinc/27/30/42/567273042.db2.gz CACKEOBOACTLDI-QLJPJBMISA-N -1 3 389.253 3.226 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)s1 ZINC000433821264 567273572 /nfs/dbraw/zinc/27/35/72/567273572.db2.gz ORQZIQATAPRUIL-UHFFFAOYSA-N -1 3 387.324 3.490 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1ccccn1 ZINC000591324581 567274898 /nfs/dbraw/zinc/27/48/98/567274898.db2.gz NBNKCOWGENTCCH-AWEZNQCLSA-N -1 3 382.869 3.341 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(C)cc21 ZINC000591324657 567274929 /nfs/dbraw/zinc/27/49/29/567274929.db2.gz IESOAOJZFNWFNZ-OAHLLOKOSA-N -1 3 379.865 3.401 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)Nc1ccccc1 ZINC000433826035 567275103 /nfs/dbraw/zinc/27/51/03/567275103.db2.gz KJQPJMJIQKZBJQ-UHFFFAOYSA-N -1 3 380.878 3.472 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(O)CCC(C)CC2)s1 ZINC000660174880 567275411 /nfs/dbraw/zinc/27/54/11/567275411.db2.gz AVHZVGSOXJZDQY-UHFFFAOYSA-N -1 3 382.345 3.039 20 0 GGADHM CC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CCCCC1 ZINC000475777029 567275622 /nfs/dbraw/zinc/27/56/22/567275622.db2.gz IREQHNRHHNQIQF-JKSUJKDBSA-N -1 3 375.481 3.114 20 0 GGADHM COc1ccc(CN2CCN(c3ccc(F)cn3)CC2)c(Br)c1[O-] ZINC000685459850 567275631 /nfs/dbraw/zinc/27/56/31/567275631.db2.gz QUFLJSHTEBJHCV-UHFFFAOYSA-N -1 3 396.260 3.020 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2ccc(Br)cc2)s1 ZINC000433831796 567275749 /nfs/dbraw/zinc/27/57/49/567275749.db2.gz OUFOCPVXKBABCA-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCCOc2cccc3cccnc32)s1 ZINC000433834868 567275877 /nfs/dbraw/zinc/27/58/77/567275877.db2.gz FLVLLGFAFRRKGR-UHFFFAOYSA-N -1 3 377.491 3.056 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)N1CCCC1 ZINC000548042343 567275981 /nfs/dbraw/zinc/27/59/81/567275981.db2.gz JKTRPZZEQGNIGD-VIFPVBQESA-N -1 3 399.713 3.004 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CC2CC(C)(C)C2)c(OC)cc1Br ZINC000548046700 567276678 /nfs/dbraw/zinc/27/66/78/567276678.db2.gz USWVSEFWDOJIFN-UHFFFAOYSA-N -1 3 392.315 3.181 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(CC2CC2)C1)c1cc(Cl)sc1Cl ZINC000660180051 567276853 /nfs/dbraw/zinc/27/68/53/567276853.db2.gz UZQSBVNDVIUEMI-NSHDSACASA-N -1 3 383.366 3.455 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H](F)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000567774618 567276824 /nfs/dbraw/zinc/27/68/24/567276824.db2.gz ORLLYVYMJSUARC-VHDGCEQUSA-N -1 3 391.892 3.314 20 0 GGADHM CN(CCn1cc(Br)cn1)Cc1cc([O-])ccc1Br ZINC000685477619 567276991 /nfs/dbraw/zinc/27/69/91/567276991.db2.gz ASWTZWHDPJYXLU-UHFFFAOYSA-N -1 3 389.091 3.246 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1nc2ccccc2s1)[C@@H]1CCCN(C2CCC2)C1 ZINC000567781298 567277509 /nfs/dbraw/zinc/27/75/09/567277509.db2.gz BCZJOBOKRGABCB-UONOGXRCSA-N -1 3 379.551 3.228 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000548077000 567277889 /nfs/dbraw/zinc/27/78/89/567277889.db2.gz FTUFGMWVPXUIEE-MAUKXSAKSA-N -1 3 376.250 3.344 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c(Br)c1 ZINC000475807981 567278282 /nfs/dbraw/zinc/27/82/82/567278282.db2.gz KLLXQYNISHQAPY-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM CC(C)CO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367647 567278803 /nfs/dbraw/zinc/27/88/03/567278803.db2.gz DGWSNMZSLXPLOG-JTQLQIEISA-N -1 3 382.404 3.077 20 0 GGADHM CC(C)(C(N)=O)c1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000548073281 567279104 /nfs/dbraw/zinc/27/91/04/567279104.db2.gz ULJSZDIHWQZIKL-UHFFFAOYSA-N -1 3 391.265 3.099 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3C)s1 ZINC000591399585 567281315 /nfs/dbraw/zinc/28/13/15/567281315.db2.gz RPGLQDCLDUYWBQ-LRDDRELGSA-N -1 3 378.519 3.219 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000548123930 567281276 /nfs/dbraw/zinc/28/12/76/567281276.db2.gz KTQSSFIUXOXPCK-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000548122796 567281587 /nfs/dbraw/zinc/28/15/87/567281587.db2.gz FRZXSXGJAQDVPD-UHFFFAOYSA-N -1 3 387.929 3.470 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)c1nc(C)cs1 ZINC000591399044 567282144 /nfs/dbraw/zinc/28/21/44/567282144.db2.gz OBGLEUFMMXKDKF-CMPLNLGQSA-N -1 3 387.552 3.140 20 0 GGADHM O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000685589684 567284549 /nfs/dbraw/zinc/28/45/49/567284549.db2.gz GGADYTDRMYTLPL-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000526037217 567285060 /nfs/dbraw/zinc/28/50/60/567285060.db2.gz CTVGLQSCWIMLER-WHOFXGATSA-N -1 3 398.937 3.131 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c(C)o1 ZINC000433956897 567285876 /nfs/dbraw/zinc/28/58/76/567285876.db2.gz XXCIJEVACQKHTB-UHFFFAOYSA-N -1 3 393.248 3.064 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1)c1cc(F)ccc1Br ZINC000526050050 567286031 /nfs/dbraw/zinc/28/60/31/567286031.db2.gz ALNXLTBZXSMPSE-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM Cc1ccc(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000567891714 567286640 /nfs/dbraw/zinc/28/66/40/567286640.db2.gz QONFWFFRMBWKDV-OAHLLOKOSA-N -1 3 380.282 3.301 20 0 GGADHM Cc1cc(C(=O)NCCCNC(=O)c2ccc(Br)cc2)ccc1[O-] ZINC000499947151 567287164 /nfs/dbraw/zinc/28/71/64/567287164.db2.gz BWWIUTVVQAQLCN-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM CC(C)n1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000685601995 567287647 /nfs/dbraw/zinc/28/76/47/567287647.db2.gz NDXJZVKRZZUXDB-CQSZACIVSA-N -1 3 375.416 3.164 20 0 GGADHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000526068688 567287838 /nfs/dbraw/zinc/28/78/38/567287838.db2.gz ONLONYMTCAPVEP-LURJTMIESA-N -1 3 380.779 3.089 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)ccc1[O-] ZINC000499977682 567288541 /nfs/dbraw/zinc/28/85/41/567288541.db2.gz ZQNKWLMROSBKEV-CQSZACIVSA-N -1 3 375.266 3.472 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccoc1Cl ZINC000434027856 567289379 /nfs/dbraw/zinc/28/93/79/567289379.db2.gz NQRIFAJTDQNVNX-UHFFFAOYSA-N -1 3 382.747 3.026 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000617215141 567289901 /nfs/dbraw/zinc/28/99/01/567289901.db2.gz YHOPEBWVBGAYDS-UHFFFAOYSA-N -1 3 382.869 3.291 20 0 GGADHM Cc1sc([N-]C(=O)c2nc3ncc(Br)cn3n2)nc1C(C)C ZINC000617244641 567292699 /nfs/dbraw/zinc/29/26/99/567292699.db2.gz DJDKDHFNWPVTRB-UHFFFAOYSA-N -1 3 381.259 3.027 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nnc2ccccn21 ZINC000434101506 567294532 /nfs/dbraw/zinc/29/45/32/567294532.db2.gz ICSXHMHLFQJPLC-ZDUSSCGKSA-N -1 3 382.848 3.342 20 0 GGADHM Cc1cc(NC(=O)C[N-]S(=O)(=O)CCC(C)(C)C)ccc1Br ZINC000500055277 567294797 /nfs/dbraw/zinc/29/47/97/567294797.db2.gz YTMFPSHVOWOULE-UHFFFAOYSA-N -1 3 391.331 3.052 20 0 GGADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1csc(=O)[n-]1 ZINC000526901709 567295872 /nfs/dbraw/zinc/29/58/72/567295872.db2.gz XTNBQQURRPBPEW-UHFFFAOYSA-N -1 3 378.841 3.203 20 0 GGADHM CCCSc1nc(=NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)s[n-]1 ZINC000476125898 567299539 /nfs/dbraw/zinc/29/95/39/567299539.db2.gz ALALSQHOQPYWCO-NEPJUHHUSA-N -1 3 383.543 3.306 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c(C)o1 ZINC000434229861 567300311 /nfs/dbraw/zinc/30/03/11/567300311.db2.gz XCQPUGASXHNBAO-MRXNPFEDSA-N -1 3 384.885 3.277 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000500109454 567300635 /nfs/dbraw/zinc/30/06/35/567300635.db2.gz MRBGPBXAUHVSBH-ZDUSSCGKSA-N -1 3 393.322 3.131 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c(C)o1 ZINC000434229858 567300673 /nfs/dbraw/zinc/30/06/73/567300673.db2.gz XCQPUGASXHNBAO-INIZCTEOSA-N -1 3 384.885 3.277 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)cc1Cl ZINC000591817730 567300863 /nfs/dbraw/zinc/30/08/63/567300863.db2.gz ZIFXRUXALHPUKI-LBPRGKRZSA-N -1 3 395.352 3.401 20 0 GGADHM CCCSc1nc(=NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)s[n-]1 ZINC000476171865 567301396 /nfs/dbraw/zinc/30/13/96/567301396.db2.gz WCSKCGVZJYBSLX-ZDUSSCGKSA-N -1 3 383.518 3.026 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(=O)N(C)C)CCCC2)c1Cl ZINC000500113448 567301343 /nfs/dbraw/zinc/30/13/43/567301343.db2.gz UZQJSJBVQFDNDW-UHFFFAOYSA-N -1 3 393.336 3.229 20 0 GGADHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476171589 567301949 /nfs/dbraw/zinc/30/19/49/567301949.db2.gz RCAQTNIYAHHWPC-BXKDBHETSA-N -1 3 376.400 3.297 20 0 GGADHM O=C(NCCc1ccc2c[nH]nc2c1)NCc1ccc([O-])c(Br)c1 ZINC000500148981 567302466 /nfs/dbraw/zinc/30/24/66/567302466.db2.gz ZAZXHHSGNHSNRS-UHFFFAOYSA-N -1 3 389.253 3.073 20 0 GGADHM O=C(NCCOCC(F)(F)C(F)F)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000434326969 567303407 /nfs/dbraw/zinc/30/34/07/567303407.db2.gz UWAWGFTXWKVZFK-UHFFFAOYSA-N -1 3 385.770 3.438 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2nc3c(cccc3Br)s2)[n-]1 ZINC000568096029 567303892 /nfs/dbraw/zinc/30/38/92/567303892.db2.gz WAYGFSIXDCRDQR-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM COc1cc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000500167264 567304124 /nfs/dbraw/zinc/30/41/24/567304124.db2.gz XTDOMLPDVKPWDU-SNVBAGLBSA-N -1 3 380.242 3.119 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000685846020 567304422 /nfs/dbraw/zinc/30/44/22/567304422.db2.gz RXVOGFCUGQOBAL-SECBINFHSA-N -1 3 393.317 3.211 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476201340 567304608 /nfs/dbraw/zinc/30/46/08/567304608.db2.gz WNSLVSIDODPLOF-QWRGUYRKSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476201336 567304678 /nfs/dbraw/zinc/30/46/78/567304678.db2.gz WNSLVSIDODPLOF-GHMZBOCLSA-N -1 3 380.279 3.072 20 0 GGADHM Cn1nc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000476214405 567305269 /nfs/dbraw/zinc/30/52/69/567305269.db2.gz DKEKMTAIWJDEPT-UHFFFAOYSA-N -1 3 384.288 3.401 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000476219128 567305938 /nfs/dbraw/zinc/30/59/38/567305938.db2.gz LLYJWKUFEMIXBB-JTQLQIEISA-N -1 3 389.823 3.375 20 0 GGADHM Cc1nc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1Br ZINC000476228041 567305972 /nfs/dbraw/zinc/30/59/72/567305972.db2.gz XNHSTJLXYIMBQZ-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000476220794 567306203 /nfs/dbraw/zinc/30/62/03/567306203.db2.gz NZAWLUXVBNGPDP-CQSZACIVSA-N -1 3 393.958 3.319 20 0 GGADHM CN(CCn1cc(Br)cn1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000685869108 567306422 /nfs/dbraw/zinc/30/64/22/567306422.db2.gz LZRCBIRHWCNVST-UHFFFAOYSA-N -1 3 392.175 3.142 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000476218768 567306558 /nfs/dbraw/zinc/30/65/58/567306558.db2.gz NVEDQZDYQFHPTI-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nc3cccc(Cl)c3n2C)cc1F ZINC000476222987 567306738 /nfs/dbraw/zinc/30/67/38/567306738.db2.gz WNVSUNARSMJIRW-UHFFFAOYSA-N -1 3 385.823 3.292 20 0 GGADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1C ZINC000685899820 567307164 /nfs/dbraw/zinc/30/71/64/567307164.db2.gz BFSVGPKDPSNELY-UHFFFAOYSA-N -1 3 382.404 3.054 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000685899576 567307468 /nfs/dbraw/zinc/30/74/68/567307468.db2.gz PZYOZMBZMJBZMH-UHFFFAOYSA-N -1 3 388.795 3.009 20 0 GGADHM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000685899797 567307760 /nfs/dbraw/zinc/30/77/60/567307760.db2.gz RBHFJFHGXPSDNK-UHFFFAOYSA-N -1 3 378.519 3.405 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cccc(Cl)c1OC ZINC000500213490 567308345 /nfs/dbraw/zinc/30/83/45/567308345.db2.gz OWLNKKXABPAVCK-UHFFFAOYSA-N -1 3 382.825 3.082 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC000527042797 567308489 /nfs/dbraw/zinc/30/84/89/567308489.db2.gz MBIUCNNCPUDODC-LBPRGKRZSA-N -1 3 375.918 3.468 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(F)c2)C1)c1cncc(Br)c1 ZINC000568157497 567308779 /nfs/dbraw/zinc/30/87/79/567308779.db2.gz YWQDGZBJFQKNOA-YEORSEQZSA-N -1 3 385.258 3.208 20 0 GGADHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000527059459 567309736 /nfs/dbraw/zinc/30/97/36/567309736.db2.gz ZHLCHYZKESPUFO-YFKPBYRVSA-N -1 3 381.672 3.377 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC000548373659 567310698 /nfs/dbraw/zinc/31/06/98/567310698.db2.gz GRXUCCAJDHMGHH-UHFFFAOYSA-N -1 3 375.918 3.470 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000476283339 567312202 /nfs/dbraw/zinc/31/22/02/567312202.db2.gz GTTANKKZGQHSTQ-UHFFFAOYSA-N -1 3 393.774 3.378 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OC(C)(C)C ZINC000592102324 567314732 /nfs/dbraw/zinc/31/47/32/567314732.db2.gz XWEKHTRGHKVFCJ-JTQLQIEISA-N -1 3 398.344 3.218 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000476312569 567314856 /nfs/dbraw/zinc/31/48/56/567314856.db2.gz RTCYBAJDSWMKJY-NSHDSACASA-N -1 3 389.290 3.226 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cccc(CSC)c1 ZINC000527136953 567315986 /nfs/dbraw/zinc/31/59/86/567315986.db2.gz VLPKYKZRKQURIH-UHFFFAOYSA-N -1 3 378.475 3.365 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000476331019 567316375 /nfs/dbraw/zinc/31/63/75/567316375.db2.gz BWVAYCATYIIHPU-CQSZACIVSA-N -1 3 388.258 3.254 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2ncc(F)cc2F)c(Br)cc1F ZINC000617507549 567317256 /nfs/dbraw/zinc/31/72/56/567317256.db2.gz SYOPDRNQCZSTAV-UHFFFAOYSA-N -1 3 389.127 3.300 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000476350881 567317901 /nfs/dbraw/zinc/31/79/01/567317901.db2.gz QOFOLZGTQWHPIP-CYBMUJFWSA-N -1 3 393.933 3.237 20 0 GGADHM C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(F)(F)F ZINC000548476242 567318164 /nfs/dbraw/zinc/31/81/64/567318164.db2.gz JNQOCCGKGWYFFY-ZETCQYMHSA-N -1 3 377.160 3.219 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1)C(F)(F)F ZINC000548473867 567318592 /nfs/dbraw/zinc/31/85/92/567318592.db2.gz OILCBDZJSRGVIS-CQSZACIVSA-N -1 3 379.379 3.329 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC[C@@H](C)C1 ZINC000500418317 567318537 /nfs/dbraw/zinc/31/85/37/567318537.db2.gz ZDIJMPFGOHBUNB-HUUCEWRRSA-N -1 3 379.551 3.209 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OC ZINC000500414192 567318739 /nfs/dbraw/zinc/31/87/39/567318739.db2.gz GESONWGNEFQYRW-OAHLLOKOSA-N -1 3 388.898 3.084 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)ccc1-n1cccn1 ZINC000476382731 567318576 /nfs/dbraw/zinc/31/85/76/567318576.db2.gz YESMKKNAJHJFJL-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@H]12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500420576 567319531 /nfs/dbraw/zinc/31/95/31/567319531.db2.gz FKTRKMGQEFDGPC-LSDHHAIUSA-N -1 3 397.953 3.369 20 0 GGADHM O=C(c1cccc([N-]S(=O)(=O)CCc2cccs2)c1)N1CCCCC1 ZINC000568338411 567319976 /nfs/dbraw/zinc/31/99/76/567319976.db2.gz HTXUXTKHSJMYDB-UHFFFAOYSA-N -1 3 378.519 3.359 20 0 GGADHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500424709 567321005 /nfs/dbraw/zinc/32/10/05/567321005.db2.gz MDBGMHOPUWUIAC-NSHDSACASA-N -1 3 382.898 3.027 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(CC)CCSC)nc(=O)c2c1C ZINC000592199111 567321183 /nfs/dbraw/zinc/32/11/83/567321183.db2.gz DGODLKHVFHQSRG-LLVKDONJSA-N -1 3 383.539 3.216 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Br)cc1F ZINC000476416693 567321607 /nfs/dbraw/zinc/32/16/07/567321607.db2.gz HNNMZGTZXKCFGC-APHBMKBZSA-N -1 3 382.254 3.205 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000568344925 567321735 /nfs/dbraw/zinc/32/17/35/567321735.db2.gz GNFUZXNGIFAIIN-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM COc1cc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)ccn1 ZINC000500440681 567322848 /nfs/dbraw/zinc/32/28/48/567322848.db2.gz NEENEIUTZGBGTB-UHFFFAOYSA-N -1 3 395.893 3.346 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc3c(cc2Br)OCCO3)n1 ZINC000660744934 567323465 /nfs/dbraw/zinc/32/34/65/567323465.db2.gz OGIRPTAFEZAIER-UHFFFAOYSA-N -1 3 394.269 3.049 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc3c(cc2Br)OCO3)n1 ZINC000660748197 567323715 /nfs/dbraw/zinc/32/37/15/567323715.db2.gz WDHOMVAEHZMQFN-UHFFFAOYSA-N -1 3 380.242 3.007 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(=O)Nc2ccccc2Br)n1 ZINC000660751961 567323744 /nfs/dbraw/zinc/32/37/44/567323744.db2.gz PYGVUAHMBFHZIS-UHFFFAOYSA-N -1 3 393.285 3.107 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c(Cl)c1 ZINC000568376869 567324206 /nfs/dbraw/zinc/32/42/06/567324206.db2.gz ZHPFXRKOGKWRCA-UHFFFAOYSA-N -1 3 384.816 3.173 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c[nH]1 ZINC000500473680 567324293 /nfs/dbraw/zinc/32/42/93/567324293.db2.gz XLTLEXOCUYFAGP-UHFFFAOYSA-N -1 3 393.646 3.018 20 0 GGADHM CC[C@H]1CCCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000476445876 567324398 /nfs/dbraw/zinc/32/43/98/567324398.db2.gz GJKYQOMLOOITBX-NWDGAFQWSA-N -1 3 378.947 3.012 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc3c(c(Br)c2)OCO3)n1 ZINC000660745050 567324450 /nfs/dbraw/zinc/32/44/50/567324450.db2.gz AGBYFFXFTUFKDI-UHFFFAOYSA-N -1 3 380.242 3.007 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)sc1Br ZINC000434763789 567325495 /nfs/dbraw/zinc/32/54/95/567325495.db2.gz LJFFTHQMJNTIBG-GFCCVEGCSA-N -1 3 393.372 3.114 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000527279148 567326136 /nfs/dbraw/zinc/32/61/36/567326136.db2.gz IPOVZOXDPVLUNX-CTYIDZIISA-N -1 3 398.937 3.132 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)sc1Br ZINC000434763790 567326244 /nfs/dbraw/zinc/32/62/44/567326244.db2.gz LJFFTHQMJNTIBG-LBPRGKRZSA-N -1 3 393.372 3.114 20 0 GGADHM CC(C)(C)CC[C@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000527280735 567326724 /nfs/dbraw/zinc/32/67/24/567326724.db2.gz HCQCUFPFCCVMRE-GFCCVEGCSA-N -1 3 395.297 3.208 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000476478112 567327046 /nfs/dbraw/zinc/32/70/46/567327046.db2.gz AGKKHGQNDIZENM-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(F)cc1 ZINC000434778991 567328949 /nfs/dbraw/zinc/32/89/49/567328949.db2.gz UAHNPKSXGLFHGQ-GFCCVEGCSA-N -1 3 391.873 3.084 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)cc1Cl ZINC000434779924 567328978 /nfs/dbraw/zinc/32/89/78/567328978.db2.gz WOORNORNFYMPQN-LBPRGKRZSA-N -1 3 393.336 3.297 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C)cc1 ZINC000500528991 567328987 /nfs/dbraw/zinc/32/89/87/567328987.db2.gz GPFWWZHOYAJFPD-CQSZACIVSA-N -1 3 385.844 3.023 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C)cc1 ZINC000500521563 567329179 /nfs/dbraw/zinc/32/91/79/567329179.db2.gz BSYZVXIQVPLASX-AWEZNQCLSA-N -1 3 385.844 3.023 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccco1 ZINC000476506196 567329925 /nfs/dbraw/zinc/32/99/25/567329925.db2.gz KJUWKYVAEMYTMK-GFCCVEGCSA-N -1 3 392.246 3.237 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1)C(C)C ZINC000592350893 567330660 /nfs/dbraw/zinc/33/06/60/567330660.db2.gz RNXXZUAODLOWNG-WAIKUNEKSA-N -1 3 375.556 3.147 20 0 GGADHM Cc1cc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)[n-]c(=O)n1 ZINC000476536058 567333175 /nfs/dbraw/zinc/33/31/75/567333175.db2.gz BLWYYWFRGDEGCU-UHFFFAOYSA-N -1 3 376.254 3.306 20 0 GGADHM CC(C)(CO)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000548583113 567333315 /nfs/dbraw/zinc/33/33/15/567333315.db2.gz SLPWLJQXJGWLNZ-UHFFFAOYSA-N -1 3 382.869 3.098 20 0 GGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000476547162 567333604 /nfs/dbraw/zinc/33/36/04/567333604.db2.gz ZQPUTIPHOKKASO-CYBMUJFWSA-N -1 3 381.947 3.175 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCc2ccc(F)c(F)c2)s1 ZINC000476561544 567334407 /nfs/dbraw/zinc/33/44/07/567334407.db2.gz AKIVQERLIHFYJF-UHFFFAOYSA-N -1 3 389.445 3.114 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@@H]12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000527372034 567335527 /nfs/dbraw/zinc/33/55/27/567335527.db2.gz LGLSVAQEFBLQJM-BFHYXJOUSA-N -1 3 384.910 3.309 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1F ZINC000500643264 567335979 /nfs/dbraw/zinc/33/59/79/567335979.db2.gz MDZXACXGRDQDRP-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000434954418 567336397 /nfs/dbraw/zinc/33/63/97/567336397.db2.gz IDKFSCRTNPPBNY-JTQLQIEISA-N -1 3 376.247 3.481 20 0 GGADHM COc1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1C ZINC000500652913 567337262 /nfs/dbraw/zinc/33/72/62/567337262.db2.gz ZCOFDKGLQPNKTI-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)cn1 ZINC000476577449 567337659 /nfs/dbraw/zinc/33/76/59/567337659.db2.gz GODBKRJJUKRKFU-VIFPVBQESA-N -1 3 397.806 3.011 20 0 GGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)n1 ZINC000568557996 567337888 /nfs/dbraw/zinc/33/78/88/567337888.db2.gz MOPNMTQXSJNDRS-UHFFFAOYSA-N -1 3 392.706 3.358 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C[C@H](C)C(F)(F)F ZINC000476591365 567338751 /nfs/dbraw/zinc/33/87/51/567338751.db2.gz BOQVQJKLAAHBFH-QMMMGPOBSA-N -1 3 390.221 3.243 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC2(C1)CCCC2 ZINC000548637491 567339198 /nfs/dbraw/zinc/33/91/98/567339198.db2.gz LZJUCHMGTWWCRN-UHFFFAOYSA-N -1 3 391.320 3.064 20 0 GGADHM COc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)c(Br)c1[O-] ZINC000435053638 567340158 /nfs/dbraw/zinc/34/01/58/567340158.db2.gz UCPLHJHJNIVBOP-CQSZACIVSA-N -1 3 379.254 3.212 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000568579017 567340634 /nfs/dbraw/zinc/34/06/34/567340634.db2.gz TWFFDPRJWIFCLD-UHFFFAOYSA-N -1 3 395.428 3.213 20 0 GGADHM C[C@H](CSCCNCc1cnn(-c2ccc(Br)cc2)c1)C(=O)[O-] ZINC000592460951 567340793 /nfs/dbraw/zinc/34/07/93/567340793.db2.gz CHBPYPWVKACILD-GFCCVEGCSA-N -1 3 398.326 3.178 20 0 GGADHM COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2ccc(C)cc2[O-])c1 ZINC000456109091 567341576 /nfs/dbraw/zinc/34/15/76/567341576.db2.gz VZWCRACPFHCVCM-MRXNPFEDSA-N -1 3 394.265 3.277 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1Oc1ccccc1 ZINC000476637168 567341654 /nfs/dbraw/zinc/34/16/54/567341654.db2.gz VQALKRULLGMELC-WOSRLPQWSA-N -1 3 387.910 3.305 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)C2(c3ccc(Br)cc3)CC2)[n-]1 ZINC000617877384 567342249 /nfs/dbraw/zinc/34/22/49/567342249.db2.gz MMUWAEQHQBQLGZ-UHFFFAOYSA-N -1 3 378.226 3.019 20 0 GGADHM CCOC(=O)c1nc(NC(=O)C2(c3ccc(Br)cc3)CC2)c[n-]1 ZINC000617877384 567342252 /nfs/dbraw/zinc/34/22/52/567342252.db2.gz MMUWAEQHQBQLGZ-UHFFFAOYSA-N -1 3 378.226 3.019 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CSc2cccc(Br)c2)[n-]1 ZINC000617877206 567342685 /nfs/dbraw/zinc/34/26/85/567342685.db2.gz HGWHSFKPAIZECN-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CSc2cccc(Br)c2)c[n-]1 ZINC000617877206 567342689 /nfs/dbraw/zinc/34/26/89/567342689.db2.gz HGWHSFKPAIZECN-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2OC)c1 ZINC000548696013 567343068 /nfs/dbraw/zinc/34/30/68/567343068.db2.gz JELCRLPRKRMHOV-UHFFFAOYSA-N -1 3 384.885 3.220 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCC(F)(F)[C@H]3O)s2)cs1 ZINC000568608179 567343481 /nfs/dbraw/zinc/34/34/81/567343481.db2.gz YNEYBJSIPATOGT-RNCFNFMXSA-N -1 3 394.490 3.007 20 0 GGADHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1 ZINC000568653835 567346092 /nfs/dbraw/zinc/34/60/92/567346092.db2.gz IXOWTTLCWHTLBT-ZDUSSCGKSA-N -1 3 381.416 3.002 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)N1CCCCC1 ZINC000435212013 567347799 /nfs/dbraw/zinc/34/77/99/567347799.db2.gz XMWRIPRDHNCQGZ-UHFFFAOYSA-N -1 3 393.322 3.131 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000548763120 567348185 /nfs/dbraw/zinc/34/81/85/567348185.db2.gz CAAHCHXZEDQEPO-MRXNPFEDSA-N -1 3 386.253 3.187 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)N1CCCC[C@H]1C ZINC000435207189 567348509 /nfs/dbraw/zinc/34/85/09/567348509.db2.gz KRUHIGAQGQJIGR-VXGBXAGGSA-N -1 3 393.322 3.129 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1cc(F)c(F)cc1Br ZINC000548763340 567348548 /nfs/dbraw/zinc/34/85/48/567348548.db2.gz VPNZUJRJYULDGX-UHFFFAOYSA-N -1 3 381.180 3.119 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435226105 567350978 /nfs/dbraw/zinc/35/09/78/567350978.db2.gz KPYICMBFMXPTRD-RISCZKNCSA-N -1 3 394.306 3.462 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(Cl)cc(F)c2Br)cc1OC(F)F ZINC000568739326 567352111 /nfs/dbraw/zinc/35/21/11/567352111.db2.gz FRTPUIQAHLKFBG-UHFFFAOYSA-N -1 3 398.566 3.251 20 0 GGADHM CC(C)[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C(=O)OC(C)(C)C ZINC000592645633 567353301 /nfs/dbraw/zinc/35/33/01/567353301.db2.gz CXTRYNJMXXATHZ-SNVBAGLBSA-N -1 3 383.798 3.073 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1 ZINC000568743095 567353961 /nfs/dbraw/zinc/35/39/61/567353961.db2.gz CPJMRHALENWTGI-QHCPKHFHSA-N -1 3 385.894 3.222 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C3(c4cccc(Cl)c4)CC3)cnc2c1Cl ZINC000500932328 567354317 /nfs/dbraw/zinc/35/43/17/567354317.db2.gz ZKBDNIZIBLGYRK-UHFFFAOYSA-N -1 3 397.287 3.312 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc2n[n-]nc2c1 ZINC000476874146 567355382 /nfs/dbraw/zinc/35/53/82/567355382.db2.gz YCZNQQYXTZJAQK-LBPRGKRZSA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc2n[n-]nc2c1 ZINC000476874144 567355430 /nfs/dbraw/zinc/35/54/30/567355430.db2.gz YCZNQQYXTZJAQK-GFCCVEGCSA-N -1 3 376.247 3.273 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)cs2)cc1S(N)(=O)=O ZINC000476921291 567357510 /nfs/dbraw/zinc/35/75/10/567357510.db2.gz ISIXAGQMXZPFHM-UHFFFAOYSA-N -1 3 397.865 3.265 20 0 GGADHM COc1ccc(NC(=O)c2c(C)nc3ccc(Br)cn32)c([O-])c1 ZINC000476920531 567357521 /nfs/dbraw/zinc/35/75/21/567357521.db2.gz KXWUPKFHUQMIEZ-UHFFFAOYSA-N -1 3 376.210 3.372 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCc2nn(C)cc21 ZINC000548878760 567358779 /nfs/dbraw/zinc/35/87/79/567358779.db2.gz KTCGLWDRCAMPSC-HNNXBMFYSA-N -1 3 379.869 3.484 20 0 GGADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(F)cc3Cl)C2)c1 ZINC000476934926 567358868 /nfs/dbraw/zinc/35/88/68/567358868.db2.gz SSBVJIAFMSRRDJ-CYBMUJFWSA-N -1 3 384.860 3.045 20 0 GGADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc([O-])cc(Br)c1 ZINC000527678172 567360165 /nfs/dbraw/zinc/36/01/65/567360165.db2.gz IYQBFIINVNNBLR-HNNXBMFYSA-N -1 3 379.254 3.315 20 0 GGADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000456295781 567360618 /nfs/dbraw/zinc/36/06/18/567360618.db2.gz IWPLVYUISRLPQP-JSGCOSHPSA-N -1 3 398.575 3.310 20 0 GGADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)cc3F)C2)c1 ZINC000476961122 567360890 /nfs/dbraw/zinc/36/08/90/567360890.db2.gz YQDSMQYLELVRFO-CYBMUJFWSA-N -1 3 384.860 3.045 20 0 GGADHM C[C@H](C1CCCCC1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000548930453 567360958 /nfs/dbraw/zinc/36/09/58/567360958.db2.gz BPLCMJLSLJCLFH-LLVKDONJSA-N -1 3 378.947 3.107 20 0 GGADHM O=C(COc1ccc(Br)cc1Cl)N=c1cc2ccccn2[n-]1 ZINC000568850578 567361655 /nfs/dbraw/zinc/36/16/55/567361655.db2.gz PBGLJFIKMLKWHB-UHFFFAOYSA-N -1 3 380.629 3.190 20 0 GGADHM CCOc1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640291905 567362353 /nfs/dbraw/zinc/36/23/53/567362353.db2.gz FJUAOZHNUUFKSP-UHFFFAOYSA-N -1 3 376.766 3.241 20 0 GGADHM CC(C)c1nc(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000640291968 567362446 /nfs/dbraw/zinc/36/24/46/567362446.db2.gz HCWNWKUQEMDPNE-UHFFFAOYSA-N -1 3 395.838 3.465 20 0 GGADHM CCOCCC1(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCC1 ZINC000640294765 567362473 /nfs/dbraw/zinc/36/24/73/567362473.db2.gz IZMWRYMBUJSYGR-UHFFFAOYSA-N -1 3 382.814 3.239 20 0 GGADHM CCCO[C@@H]1CCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640291937 567362702 /nfs/dbraw/zinc/36/27/02/567362702.db2.gz GYTVRMNAVYLBQW-LLVKDONJSA-N -1 3 382.814 3.334 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1CCc2ccc(F)cc21 ZINC000640292466 567362739 /nfs/dbraw/zinc/36/27/39/567362739.db2.gz KKUXIVUBLVMPAV-LBPRGKRZSA-N -1 3 376.741 3.469 20 0 GGADHM CN(Cc1ccc(F)c(F)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291465 567362767 /nfs/dbraw/zinc/36/27/67/567362767.db2.gz BJKDXFCFTDGPFP-UHFFFAOYSA-N -1 3 382.720 3.463 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCCOC1CCCCC1 ZINC000640292759 567362802 /nfs/dbraw/zinc/36/28/02/567362802.db2.gz OQCXFCDXLQXZPZ-UHFFFAOYSA-N -1 3 382.814 3.382 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640294684 567363101 /nfs/dbraw/zinc/36/31/01/567363101.db2.gz GZTXWBPPMGHAFP-ZYHUDNBSSA-N -1 3 382.814 3.093 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292518 567363167 /nfs/dbraw/zinc/36/31/67/567363167.db2.gz MBTCWVNCONTNLQ-JQWIXIFHSA-N -1 3 382.814 3.238 20 0 GGADHM COC[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000640293172 567363180 /nfs/dbraw/zinc/36/31/80/567363180.db2.gz RNRHUWPXEYXMDE-GFCCVEGCSA-N -1 3 376.766 3.030 20 0 GGADHM COc1cccc(CN(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640291704 567363198 /nfs/dbraw/zinc/36/31/98/567363198.db2.gz ZYLAWKXONVCXPE-UHFFFAOYSA-N -1 3 376.766 3.193 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCSc1ccccc1 ZINC000640293284 567363331 /nfs/dbraw/zinc/36/33/31/567363331.db2.gz WCJPVXJCIURZEF-UHFFFAOYSA-N -1 3 378.807 3.435 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1c(Cl)cc(F)cc1Cl ZINC000435429902 567363299 /nfs/dbraw/zinc/36/32/99/567363299.db2.gz WNIYXKKMKRLIFB-LBPRGKRZSA-N -1 3 381.300 3.428 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)cc1OC ZINC000435426986 567363376 /nfs/dbraw/zinc/36/33/76/567363376.db2.gz KLADJAYJFXIQHF-GXTWGEPZSA-N -1 3 385.844 3.331 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)cc2F)C[C@H](C)O1 ZINC000548976764 567363993 /nfs/dbraw/zinc/36/39/93/567363993.db2.gz FWUJPMGCBZLNOE-ZSBIGDGJSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)O[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640296525 567363999 /nfs/dbraw/zinc/36/39/99/567363999.db2.gz OFICHCQGKHYXKS-GHMZBOCLSA-N -1 3 382.814 3.234 20 0 GGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000548984470 567364193 /nfs/dbraw/zinc/36/41/93/567364193.db2.gz NYAVRIHURPZQGS-HNNXBMFYSA-N -1 3 392.830 3.339 20 0 GGADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)C[C@H](C)O1 ZINC000548976763 567364218 /nfs/dbraw/zinc/36/42/18/567364218.db2.gz FWUJPMGCBZLNOE-QWRGUYRKSA-N -1 3 394.306 3.460 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC(C(F)(F)F)CC1 ZINC000640294990 567364292 /nfs/dbraw/zinc/36/42/92/567364292.db2.gz NXVHZKAMDFBAMI-UHFFFAOYSA-N -1 3 378.704 3.327 20 0 GGADHM CCC(CC)[C@@H](CCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)OC ZINC000640294953 567364340 /nfs/dbraw/zinc/36/43/40/567364340.db2.gz MWABENDVRGFKCP-GFCCVEGCSA-N -1 3 384.830 3.484 20 0 GGADHM CCc1cnccc1[C@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295696 567364395 /nfs/dbraw/zinc/36/43/95/567364395.db2.gz AZLGWBWJGRVIPT-VIFPVBQESA-N -1 3 375.782 3.361 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCc2cc(F)ccc2C1 ZINC000640296780 567364554 /nfs/dbraw/zinc/36/45/54/567364554.db2.gz QNSCHDLYSPGBKV-UHFFFAOYSA-N -1 3 376.741 3.250 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000435433896 567364691 /nfs/dbraw/zinc/36/46/91/567364691.db2.gz VBPHFEMWYMEZNK-HUUCEWRRSA-N -1 3 383.828 3.100 20 0 GGADHM CC(C)O[C@H]1C[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640296530 567364839 /nfs/dbraw/zinc/36/48/39/567364839.db2.gz OFICHCQGKHYXKS-QWRGUYRKSA-N -1 3 382.814 3.234 20 0 GGADHM CC(C)c1csc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000640295422 567364856 /nfs/dbraw/zinc/36/48/56/567364856.db2.gz VXORSHCKJLFPFT-UHFFFAOYSA-N -1 3 381.811 3.422 20 0 GGADHM CC(C)O[C@H]1C[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640296528 567365131 /nfs/dbraw/zinc/36/51/31/567365131.db2.gz OFICHCQGKHYXKS-MNOVXSKESA-N -1 3 382.814 3.234 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)s1 ZINC000592820112 567365418 /nfs/dbraw/zinc/36/54/18/567365418.db2.gz IVPIHLKNAIJPQI-BMIGLBTASA-N -1 3 382.482 3.050 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1cc(F)cc(F)c1 ZINC000592819752 567365484 /nfs/dbraw/zinc/36/54/84/567365484.db2.gz SWRGRBGYQJUBGN-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000568927975 567365801 /nfs/dbraw/zinc/36/58/01/567365801.db2.gz PYZPRYGHQKWUEV-ZDUSSCGKSA-N -1 3 393.933 3.095 20 0 GGADHM C[C@@H]1CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC2(CCCC2)O1 ZINC000640304066 567365652 /nfs/dbraw/zinc/36/56/52/567365652.db2.gz ZYFJJPNTZYKXAK-SNVBAGLBSA-N -1 3 380.798 3.086 20 0 GGADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640308573 567365848 /nfs/dbraw/zinc/36/58/48/567365848.db2.gz HYLDZOGGPNOFKW-UHFFFAOYSA-N -1 3 391.191 3.287 20 0 GGADHM C[C@]12CN(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000640298403 567365901 /nfs/dbraw/zinc/36/59/01/567365901.db2.gz NJABOZRFBOLSKS-JNIYBQFBSA-N -1 3 376.810 3.421 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCCCC[C@H]2c2ccncc2)[n-]1 ZINC000640307986 567366392 /nfs/dbraw/zinc/36/63/92/567366392.db2.gz KFJZBBWOQPOZJA-AWEZNQCLSA-N -1 3 378.274 3.149 20 0 GGADHM CCCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)co1 ZINC000548996082 567366553 /nfs/dbraw/zinc/36/65/53/567366553.db2.gz FNJHUMSMMJFKHJ-UHFFFAOYSA-N -1 3 376.214 3.427 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)s1 ZINC000592822622 567366690 /nfs/dbraw/zinc/36/66/90/567366690.db2.gz YTJAOUUTBHIPJW-LRDDRELGSA-N -1 3 378.519 3.219 20 0 GGADHM C[C@@H]1C[C@@H](CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C[C@H](C)O1 ZINC000640300096 567367027 /nfs/dbraw/zinc/36/70/27/567367027.db2.gz DSWPIFZCJJJNEV-JGPRNRPPSA-N -1 3 382.814 3.236 20 0 GGADHM C[C@@H]1COC2(CCCC2)CN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303166 567367098 /nfs/dbraw/zinc/36/70/98/567367098.db2.gz PSAPWNXRLXQSQX-SNVBAGLBSA-N -1 3 380.798 3.086 20 0 GGADHM C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2Br)CC[C@@H]1c1ccccc1 ZINC000640310645 567367621 /nfs/dbraw/zinc/36/76/21/567367621.db2.gz RLKCULUFTLOJAZ-JSGCOSHPSA-N -1 3 377.286 3.262 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640310558 567367688 /nfs/dbraw/zinc/36/76/88/567367688.db2.gz QSRMRRLUVMHEDQ-TZMCWYRMSA-N -1 3 377.286 3.090 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N=c2[n-]n(C)cc2Br)s1 ZINC000640309285 567367793 /nfs/dbraw/zinc/36/77/93/567367793.db2.gz IKOICIDUHACANA-SECBINFHSA-N -1 3 386.319 3.157 20 0 GGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640308963 567368085 /nfs/dbraw/zinc/36/80/85/567368085.db2.gz GLSBHBFTMZUNAH-ZYHUDNBSSA-N -1 3 381.249 3.154 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)[n-]1 ZINC000640309139 567368387 /nfs/dbraw/zinc/36/83/87/567368387.db2.gz GSVGASCGQGWVCU-BDAKNGLRSA-N -1 3 383.212 3.095 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C)CCC(C)C)c1 ZINC000501122851 567368545 /nfs/dbraw/zinc/36/85/45/567368545.db2.gz TVZMJGWYXQKIPH-GFCCVEGCSA-N -1 3 375.462 3.114 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)N=c1[n-]n(C)cc1Br ZINC000640309098 567368606 /nfs/dbraw/zinc/36/86/06/567368606.db2.gz WYUVTRDOHYEDRT-NSHDSACASA-N -1 3 381.274 3.274 20 0 GGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640310908 567368692 /nfs/dbraw/zinc/36/86/92/567368692.db2.gz FOMHIHXAEUTYAX-MRVPVSSYSA-N -1 3 385.212 3.034 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N[C@H]2CCSc3c(F)cccc32)[n-]1 ZINC000640309369 567368780 /nfs/dbraw/zinc/36/87/80/567368780.db2.gz YMTFODICTINRPF-NSHDSACASA-N -1 3 385.262 3.102 20 0 GGADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640308960 567368809 /nfs/dbraw/zinc/36/88/09/567368809.db2.gz GLSBHBFTMZUNAH-CMPLNLGQSA-N -1 3 381.249 3.154 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)CC2(C)C)s1 ZINC000549035362 567369437 /nfs/dbraw/zinc/36/94/37/567369437.db2.gz NVBSTPXGUVEMFT-MRXNPFEDSA-N -1 3 379.551 3.031 20 0 GGADHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000549027693 567369616 /nfs/dbraw/zinc/36/96/16/567369616.db2.gz DIGKDTPUZSCTJV-NSHDSACASA-N -1 3 378.256 3.222 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C2CC2)cc1 ZINC000568964168 567369896 /nfs/dbraw/zinc/36/98/96/567369896.db2.gz FZNXJKUZHGYEHF-NSHDSACASA-N -1 3 398.937 3.435 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)[n-]1 ZINC000640313659 567370197 /nfs/dbraw/zinc/37/01/97/567370197.db2.gz OYVUWKNDYSLWFF-SNVBAGLBSA-N -1 3 391.191 3.072 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)[n-]1 ZINC000640313658 567370288 /nfs/dbraw/zinc/37/02/88/567370288.db2.gz OYVUWKNDYSLWFF-JTQLQIEISA-N -1 3 391.191 3.072 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(Cc2ccsc2)CC1 ZINC000527728994 567370627 /nfs/dbraw/zinc/37/06/27/567370627.db2.gz WITLSWDGSILZSK-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H](CO)Cc1ccc(F)cc1 ZINC000501188865 567370602 /nfs/dbraw/zinc/37/06/02/567370602.db2.gz VYBIBCNKSCNBOB-ZDUSSCGKSA-N -1 3 392.279 3.156 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N(Cc2ccc(F)cc2F)C2CC2)[n-]1 ZINC000640324222 567370840 /nfs/dbraw/zinc/37/08/40/567370840.db2.gz COFWHTXYCCRMQI-UHFFFAOYSA-N -1 3 385.212 3.079 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000640327817 567371059 /nfs/dbraw/zinc/37/10/59/567371059.db2.gz TYWXANHUQICWON-AWEZNQCLSA-N -1 3 377.286 3.152 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)c3cccc(F)c3F)cnc2c1Cl ZINC000501191460 567371448 /nfs/dbraw/zinc/37/14/48/567371448.db2.gz ICAHMAPHWJIHPB-QMMMGPOBSA-N -1 3 386.811 3.009 20 0 GGADHM C[C@@H](CSc1ccccc1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640319130 567371406 /nfs/dbraw/zinc/37/14/06/567371406.db2.gz WMXBBRGNPGAIMD-NSHDSACASA-N -1 3 383.315 3.249 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1CCCCO1 ZINC000435470118 567371702 /nfs/dbraw/zinc/37/17/02/567371702.db2.gz NDMWPNJYOJWDMQ-ZDUSSCGKSA-N -1 3 384.661 3.422 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(-c3csc(C)n3)o2)c1 ZINC000477124107 567372790 /nfs/dbraw/zinc/37/27/90/567372790.db2.gz KADCGANEGMJJCS-UHFFFAOYSA-N -1 3 398.487 3.038 20 0 GGADHM Cc1cc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)ccc1[O-] ZINC000477139410 567373486 /nfs/dbraw/zinc/37/34/86/567373486.db2.gz PJJXSHCLURSMPS-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2CCC(C(C)C)CC2)s1 ZINC000477131078 567374267 /nfs/dbraw/zinc/37/42/67/567374267.db2.gz ZTUOUHJDVJVJPA-UHFFFAOYSA-N -1 3 375.512 3.036 20 0 GGADHM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)no1 ZINC000569054687 567376227 /nfs/dbraw/zinc/37/62/27/567376227.db2.gz WLVWBFXLNLCRBZ-UHFFFAOYSA-N -1 3 386.495 3.034 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)s1 ZINC000477153931 567376369 /nfs/dbraw/zinc/37/63/69/567376369.db2.gz TVSZGASNHDUKGB-IACUBPJLSA-N -1 3 384.320 3.436 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(Br)c(F)c1 ZINC000477161157 567376423 /nfs/dbraw/zinc/37/64/23/567376423.db2.gz CYWHJEHPIXSVRK-UHOFOFEASA-N -1 3 382.254 3.205 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)cc1F ZINC000618356979 567376564 /nfs/dbraw/zinc/37/65/64/567376564.db2.gz ZXBSFRLQUGAQRO-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 ZINC000477165567 567376586 /nfs/dbraw/zinc/37/65/86/567376586.db2.gz DUFMUDDQSKDEFP-UHFFFAOYSA-N -1 3 384.211 3.131 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1cc(Br)ccc1Cl ZINC000477165197 567376706 /nfs/dbraw/zinc/37/67/06/567376706.db2.gz LIKJAUXRLNLZBH-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(SC)cc2)cc1OC ZINC000435589941 567376734 /nfs/dbraw/zinc/37/67/34/567376734.db2.gz TWGZLJKTJQGMOB-UHFFFAOYSA-N -1 3 385.482 3.086 20 0 GGADHM O=C(NCc1ccc(N2CCCC2)nc1)c1cc([O-])cc(Br)c1 ZINC000527834170 567378900 /nfs/dbraw/zinc/37/89/00/567378900.db2.gz SMCPIHHQDGBRFZ-UHFFFAOYSA-N -1 3 376.254 3.080 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c(F)cc1Br ZINC000569092266 567379036 /nfs/dbraw/zinc/37/90/36/567379036.db2.gz FDWMGNLOSKGOIV-UHFFFAOYSA-N -1 3 389.246 3.241 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CCC(F)(F)C2)c(F)cc1F ZINC000435609684 567379910 /nfs/dbraw/zinc/37/99/10/567379910.db2.gz AZFGQXZQYOCELT-VIFPVBQESA-N -1 3 382.379 3.490 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)ccc1[O-] ZINC000456484763 567380204 /nfs/dbraw/zinc/38/02/04/567380204.db2.gz KSRWUBZDFMMJJE-LBPRGKRZSA-N -1 3 396.256 3.183 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCOCC1 ZINC000501314116 567380589 /nfs/dbraw/zinc/38/05/89/567380589.db2.gz RRWOIXWIQDCTSE-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)c1 ZINC000618362607 567381670 /nfs/dbraw/zinc/38/16/70/567381670.db2.gz JPTZIKQLLJEKQR-INIZCTEOSA-N -1 3 392.249 3.377 20 0 GGADHM C[C@H](CNC(=O)c1cc([O-])cc(Br)c1)N1CCc2sccc2C1 ZINC000527890435 567382248 /nfs/dbraw/zinc/38/22/48/567382248.db2.gz ICKGVRIBTUNGAH-LLVKDONJSA-N -1 3 395.322 3.393 20 0 GGADHM COc1cc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)ccc1[O-] ZINC000618364372 567383108 /nfs/dbraw/zinc/38/31/08/567383108.db2.gz HJDURCCNKVLTST-HNNXBMFYSA-N -1 3 392.249 3.377 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)n[n-]2)o1 ZINC000477261688 567384486 /nfs/dbraw/zinc/38/44/86/567384486.db2.gz UWPGBUOSFPWOAZ-UHFFFAOYSA-N -1 3 379.825 3.287 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)[n-]n2)o1 ZINC000477261688 567384490 /nfs/dbraw/zinc/38/44/90/567384490.db2.gz UWPGBUOSFPWOAZ-UHFFFAOYSA-N -1 3 379.825 3.287 20 0 GGADHM O=S(=O)([N-][C@]1(Cc2ccc(Cl)cc2)CCOC1)c1cc(F)cc(F)c1 ZINC000501407083 567385160 /nfs/dbraw/zinc/38/51/60/567385160.db2.gz QCLXMTSTWUKOJW-KRWDZBQOSA-N -1 3 387.835 3.298 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCOC[C@H]2c2ccc(Br)cc2)n1 ZINC000661647204 567385300 /nfs/dbraw/zinc/38/53/00/567385300.db2.gz PRYBFJHATDTFBI-HNNXBMFYSA-N -1 3 378.270 3.081 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(Cl)c1Cl ZINC000501404044 567385848 /nfs/dbraw/zinc/38/58/48/567385848.db2.gz FNYKTKXBGWETJR-HTQZYQBOSA-N -1 3 390.235 3.441 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000501413835 567386793 /nfs/dbraw/zinc/38/67/93/567386793.db2.gz QXGMBOXJNATJEQ-MRXNPFEDSA-N -1 3 386.926 3.039 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)s1 ZINC000618449015 567388907 /nfs/dbraw/zinc/38/89/07/567388907.db2.gz CIBKCWJEULLJBS-KGLIPLIRSA-N -1 3 380.535 3.245 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C)c1cccc(Cl)c1 ZINC000569267125 567390927 /nfs/dbraw/zinc/39/09/27/567390927.db2.gz VSTNOFASRXEDLO-MRXNPFEDSA-N -1 3 385.917 3.400 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)s1 ZINC000618459879 567391238 /nfs/dbraw/zinc/39/12/38/567391238.db2.gz ZOYNFHUIDADOOR-QMMMGPOBSA-N -1 3 378.928 3.139 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@H]3C)o2)s1 ZINC000618459068 567391385 /nfs/dbraw/zinc/39/13/85/567391385.db2.gz ZJMUMOVBKPXJJV-JTNHKYCSSA-N -1 3 382.507 3.140 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)s1 ZINC000618459626 567391484 /nfs/dbraw/zinc/39/14/84/567391484.db2.gz UGLXHIIYGBBWES-CYBMUJFWSA-N -1 3 378.519 3.303 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)s1 ZINC000618461245 567391535 /nfs/dbraw/zinc/39/15/35/567391535.db2.gz HQEUFBXPYUAVCM-NSHDSACASA-N -1 3 398.575 3.364 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C(C)=O)o2)nc1C(F)(F)F ZINC000593152694 567391595 /nfs/dbraw/zinc/39/15/95/567391595.db2.gz VTRDFUWRICUWHJ-UHFFFAOYSA-N -1 3 376.312 3.387 20 0 GGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000477371803 567391791 /nfs/dbraw/zinc/39/17/91/567391791.db2.gz IAZBOXYYMFLTHH-UHFFFAOYSA-N -1 3 391.783 3.159 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccnc1 ZINC000549458159 567392579 /nfs/dbraw/zinc/39/25/79/567392579.db2.gz ULPCTSKWBWQKRV-HNNXBMFYSA-N -1 3 389.304 3.427 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccnc1 ZINC000549458160 567392667 /nfs/dbraw/zinc/39/26/67/567392667.db2.gz ULPCTSKWBWQKRV-OAHLLOKOSA-N -1 3 389.304 3.427 20 0 GGADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000549476402 567393396 /nfs/dbraw/zinc/39/33/96/567393396.db2.gz PTTSJJUFFFQSRE-CQSZACIVSA-N -1 3 396.734 3.322 20 0 GGADHM O=C(Nc1ccccc1N1CCC(O)CC1)c1cc([O-])cc(Br)c1 ZINC000528085144 567394104 /nfs/dbraw/zinc/39/41/04/567394104.db2.gz SUOIBCVDVVCPNX-UHFFFAOYSA-N -1 3 391.265 3.368 20 0 GGADHM CSCCCCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477458011 567395670 /nfs/dbraw/zinc/39/56/70/567395670.db2.gz RJYOGWQEPPLVSQ-UHFFFAOYSA-N -1 3 394.921 3.392 20 0 GGADHM CSCCCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477470214 567396192 /nfs/dbraw/zinc/39/61/92/567396192.db2.gz YEDQCCWBGPMOHR-UHFFFAOYSA-N -1 3 380.894 3.002 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)C1CCCCC1)c1ccc(F)cc1Br ZINC000549524319 567396764 /nfs/dbraw/zinc/39/67/64/567396764.db2.gz JOZHSRZVASIJCU-GFCCVEGCSA-N -1 3 394.306 3.055 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCC1 ZINC000549524900 567396786 /nfs/dbraw/zinc/39/67/86/567396786.db2.gz PUTCFYWUHLMWLI-UHFFFAOYSA-N -1 3 385.379 3.352 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)[n-]c(=O)n1 ZINC000435963414 567397506 /nfs/dbraw/zinc/39/75/06/567397506.db2.gz JCAJZGCTKLTRFH-AWEZNQCLSA-N -1 3 380.217 3.370 20 0 GGADHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000549555453 567398116 /nfs/dbraw/zinc/39/81/16/567398116.db2.gz GHEARFNDZDLPNK-HZMBPMFUSA-N -1 3 396.734 3.073 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)c(C)o1 ZINC000549602772 567400972 /nfs/dbraw/zinc/40/09/72/567400972.db2.gz UUXDPORBGDIOLR-HAQNSBGRSA-N -1 3 383.853 3.253 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCC(C)CC1 ZINC000477547920 567401698 /nfs/dbraw/zinc/40/16/98/567401698.db2.gz VXXVNVIKIGPZNS-UHFFFAOYSA-N -1 3 377.865 3.020 20 0 GGADHM COC[C@@H](C)[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1 ZINC000640943190 567402550 /nfs/dbraw/zinc/40/25/50/567402550.db2.gz JSPCLABYLUJIFI-GHMZBOCLSA-N -1 3 380.286 3.427 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000528226708 567403312 /nfs/dbraw/zinc/40/33/12/567403312.db2.gz ZFXXVAJFNWTHEU-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)c1oc2ccc(Br)cc2c1C ZINC000549697127 567404722 /nfs/dbraw/zinc/40/47/22/567404722.db2.gz YDYOBOSVTVQTOZ-UHFFFAOYSA-N -1 3 378.182 3.266 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)c1oc2ccc(Br)cc2c1C ZINC000549697127 567404727 /nfs/dbraw/zinc/40/47/27/567404727.db2.gz YDYOBOSVTVQTOZ-UHFFFAOYSA-N -1 3 378.182 3.266 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501820770 567407118 /nfs/dbraw/zinc/40/71/18/567407118.db2.gz LNXDCHVVLUMULC-LJQANCHMSA-N -1 3 380.271 3.448 20 0 GGADHM Cc1csc([C@H]2COCCN2C(=O)Cc2ccc(Br)cc2[O-])n1 ZINC000501819569 567407216 /nfs/dbraw/zinc/40/72/16/567407216.db2.gz XUDDYMNTSAAHBD-CYBMUJFWSA-N -1 3 397.294 3.062 20 0 GGADHM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Cl)cc1Cl ZINC000549722526 567407608 /nfs/dbraw/zinc/40/76/08/567407608.db2.gz UWTFHIBPBOVPSN-UHFFFAOYSA-N -1 3 381.187 3.171 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501820769 567408013 /nfs/dbraw/zinc/40/80/13/567408013.db2.gz LNXDCHVVLUMULC-IBGZPJMESA-N -1 3 380.271 3.448 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@@H](CO)c1c(F)cccc1F ZINC000549773011 567410194 /nfs/dbraw/zinc/41/01/94/567410194.db2.gz IUHCXOPCWBBXCM-AWEZNQCLSA-N -1 3 377.359 3.055 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)c(Cl)c1 ZINC000569524558 567410311 /nfs/dbraw/zinc/41/03/11/567410311.db2.gz OCFRUALILKQXCX-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000528328016 567411289 /nfs/dbraw/zinc/41/12/89/567411289.db2.gz ORVAYDZRHYJZKD-QGZVFWFLSA-N -1 3 391.265 3.371 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1cc(F)cc(Cl)c1 ZINC000549812985 567412228 /nfs/dbraw/zinc/41/22/28/567412228.db2.gz DBKIFVFZZFXSTL-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000436183647 567412604 /nfs/dbraw/zinc/41/26/04/567412604.db2.gz JJMQQOFYTWPAQC-NSHDSACASA-N -1 3 394.287 3.316 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)cc1 ZINC000456738628 567414388 /nfs/dbraw/zinc/41/43/88/567414388.db2.gz SOCKTYARLGQEMP-UHFFFAOYSA-N -1 3 378.881 3.217 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000549864953 567415344 /nfs/dbraw/zinc/41/53/44/567415344.db2.gz KZRANQWEELCHCR-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CCC[C@H](OCC)C(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000528368737 567417211 /nfs/dbraw/zinc/41/72/11/567417211.db2.gz ZTVCIHPAKGJSJV-HNNXBMFYSA-N -1 3 378.441 3.260 20 0 GGADHM Cc1cc(Br)c(CN(CC(=O)[O-])C2CCOCC2)cc1Cl ZINC000662212656 567417650 /nfs/dbraw/zinc/41/76/50/567417650.db2.gz POVLJHBXMPKEKG-UHFFFAOYSA-N -1 3 376.678 3.477 20 0 GGADHM O=C([O-])CC1(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCOCC1 ZINC000662212171 567417748 /nfs/dbraw/zinc/41/77/48/567417748.db2.gz JVFBDALYYBERHQ-UHFFFAOYSA-N -1 3 395.670 3.199 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000549910559 567418218 /nfs/dbraw/zinc/41/82/18/567418218.db2.gz KCJPUIXIXIVOEL-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Cl)c1 ZINC000549912195 567418515 /nfs/dbraw/zinc/41/85/15/567418515.db2.gz CMFSXIGGWPVKDD-UHFFFAOYSA-N -1 3 382.766 3.414 20 0 GGADHM O=S(=O)([N-]CCNCc1cc2c(cccc2F)[nH]1)c1ccc(Cl)s1 ZINC000436303256 567418643 /nfs/dbraw/zinc/41/86/43/567418643.db2.gz WLZIJXQHPGCBQY-UHFFFAOYSA-N -1 3 387.889 3.090 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1cc(C)cc(C)c1 ZINC000569615644 567418688 /nfs/dbraw/zinc/41/86/88/567418688.db2.gz RZRSRVQMOHOINJ-QGZVFWFLSA-N -1 3 381.881 3.291 20 0 GGADHM O=C(CC1CCCCCC1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502079919 567419094 /nfs/dbraw/zinc/41/90/94/567419094.db2.gz SSNRFAKSYCCDNK-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM CC[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C1CC1 ZINC000618866367 567419581 /nfs/dbraw/zinc/41/95/81/567419581.db2.gz NIQUYUCEQHUEGP-ZDUSSCGKSA-N -1 3 384.548 3.207 20 0 GGADHM O=C(NCCCCc1ccc(Cl)s1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502105127 567419924 /nfs/dbraw/zinc/41/99/24/567419924.db2.gz MXHHBKCUZBSLLX-UHFFFAOYSA-N -1 3 381.811 3.361 20 0 GGADHM O=C(NCCCCc1ccc(Cl)s1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502105127 567419931 /nfs/dbraw/zinc/41/99/31/567419931.db2.gz MXHHBKCUZBSLLX-UHFFFAOYSA-N -1 3 381.811 3.361 20 0 GGADHM O=C(NCCCCc1ccc(Cl)s1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502105127 567419934 /nfs/dbraw/zinc/41/99/34/567419934.db2.gz MXHHBKCUZBSLLX-UHFFFAOYSA-N -1 3 381.811 3.361 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]C3(CC(F)(F)F)CC3)c(Cl)cc21 ZINC000528424906 567421610 /nfs/dbraw/zinc/42/16/10/567421610.db2.gz YXWURIXGSJROGT-UHFFFAOYSA-N -1 3 396.818 3.012 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2c(Cl)cccc2Cl)c1 ZINC000502186444 567422765 /nfs/dbraw/zinc/42/27/65/567422765.db2.gz NTULYZUIMNUXTL-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)c2nc(C)cs2)c(F)c1 ZINC000593545615 567422814 /nfs/dbraw/zinc/42/28/14/567422814.db2.gz WJKABBJTCJWHTH-CYBMUJFWSA-N -1 3 386.470 3.197 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Cc3oc(C)cc32)c1 ZINC000502199376 567422845 /nfs/dbraw/zinc/42/28/45/567422845.db2.gz XXJALANKIHYBRQ-CYBMUJFWSA-N -1 3 383.491 3.428 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000569675738 567422832 /nfs/dbraw/zinc/42/28/32/567422832.db2.gz RQSIJNBRHHUBLD-TZMCWYRMSA-N -1 3 399.925 3.370 20 0 GGADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000528437042 567423039 /nfs/dbraw/zinc/42/30/39/567423039.db2.gz LMACWEHIOXKIMS-YZMDESFKSA-N -1 3 376.400 3.308 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)[n-]1 ZINC000618919877 567423471 /nfs/dbraw/zinc/42/34/71/567423471.db2.gz YLHNXIQIYKZAHJ-JTQLQIEISA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)c[n-]1 ZINC000618919877 567423474 /nfs/dbraw/zinc/42/34/74/567423474.db2.gz YLHNXIQIYKZAHJ-JTQLQIEISA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(CC)c2nccs2)c(F)c1 ZINC000593557656 567423800 /nfs/dbraw/zinc/42/38/00/567423800.db2.gz OODNJTCWNDSQRT-INIZCTEOSA-N -1 3 386.470 3.063 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502222251 567424049 /nfs/dbraw/zinc/42/40/49/567424049.db2.gz ZGCYSUSYDYUJPG-UHFFFAOYSA-N -1 3 388.276 3.032 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000502220397 567424607 /nfs/dbraw/zinc/42/46/07/567424607.db2.gz RPRIBJHNPDZFSN-MRXNPFEDSA-N -1 3 379.869 3.084 20 0 GGADHM CN(C)CCOc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436482710 567426904 /nfs/dbraw/zinc/42/69/04/567426904.db2.gz BFKSAZCREZRBML-UHFFFAOYSA-N -1 3 379.254 3.347 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cc1Cl ZINC000436474302 567427116 /nfs/dbraw/zinc/42/71/16/567427116.db2.gz DNKUXGGJKHKWEB-UHFFFAOYSA-N -1 3 382.804 3.074 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(c2nncn2C2CC2)CC1 ZINC000528473013 567427234 /nfs/dbraw/zinc/42/72/34/567427234.db2.gz CAMUVNPSWISVBB-UHFFFAOYSA-N -1 3 391.269 3.101 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nc(C)n1 ZINC000569737941 567428235 /nfs/dbraw/zinc/42/82/35/567428235.db2.gz ROLQZLVDFBEVGL-UHFFFAOYSA-N -1 3 379.791 3.244 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c(F)c1 ZINC000550105707 567428316 /nfs/dbraw/zinc/42/83/16/567428316.db2.gz SQOMCFSWTVMHDH-UHFFFAOYSA-N -1 3 377.224 3.341 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000593623416 567429446 /nfs/dbraw/zinc/42/94/46/567429446.db2.gz KKLCBDIWWCCUAI-VXGBXAGGSA-N -1 3 377.915 3.079 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Br)c(OC(C)C)c2)[n-]1 ZINC000593649534 567430784 /nfs/dbraw/zinc/43/07/84/567430784.db2.gz LKFBBIWFFCSWPT-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2ccc(Br)c(OC(C)C)c2)c[n-]1 ZINC000593649534 567430786 /nfs/dbraw/zinc/43/07/86/567430786.db2.gz LKFBBIWFFCSWPT-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM COc1ccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c([O-])c1 ZINC000436522043 567431346 /nfs/dbraw/zinc/43/13/46/567431346.db2.gz QLWOANHAZVCUKD-CYBMUJFWSA-N -1 3 382.185 3.166 20 0 GGADHM CC1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000619056852 567431901 /nfs/dbraw/zinc/43/19/01/567431901.db2.gz URNXEUKHUWUOCP-KRWDZBQOSA-N -1 3 378.519 3.026 20 0 GGADHM CC1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000619056853 567432056 /nfs/dbraw/zinc/43/20/56/567432056.db2.gz URNXEUKHUWUOCP-QGZVFWFLSA-N -1 3 378.519 3.026 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000478036147 567433543 /nfs/dbraw/zinc/43/35/43/567433543.db2.gz JYHHSAYYIPRXTP-UKRRQHHQSA-N -1 3 378.416 3.148 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)c([O-])c1 ZINC000436539732 567433727 /nfs/dbraw/zinc/43/37/27/567433727.db2.gz OXUSCRGLAJDNEM-MRXNPFEDSA-N -1 3 391.265 3.235 20 0 GGADHM COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c([O-])c1 ZINC000436549714 567433737 /nfs/dbraw/zinc/43/37/37/567433737.db2.gz VPESNESGDMVPEQ-LBPRGKRZSA-N -1 3 391.265 3.172 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)nc1C ZINC000502435133 567433943 /nfs/dbraw/zinc/43/39/43/567433943.db2.gz KMORJWDLTYBLHV-UHFFFAOYSA-N -1 3 392.706 3.106 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000478036146 567434066 /nfs/dbraw/zinc/43/40/66/567434066.db2.gz JYHHSAYYIPRXTP-HIFRSBDPSA-N -1 3 378.416 3.148 20 0 GGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]Cc1noc(-c2cccs2)n1 ZINC000550209506 567434535 /nfs/dbraw/zinc/43/45/35/567434535.db2.gz NTTGHDDNNFDKSD-UHFFFAOYSA-N -1 3 387.845 3.210 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)(F)F)c2)nc1C ZINC000502458308 567435444 /nfs/dbraw/zinc/43/54/44/567435444.db2.gz SPJASUGFZFMUJN-SNVBAGLBSA-N -1 3 377.388 3.150 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)(F)F)cc2)nc1C ZINC000502449382 567435703 /nfs/dbraw/zinc/43/57/03/567435703.db2.gz CPDYKJWBGKUKQU-SNVBAGLBSA-N -1 3 377.388 3.150 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCN1C ZINC000502455129 567435755 /nfs/dbraw/zinc/43/57/55/567435755.db2.gz BUUMYTJRAKMHMP-PSASIEDQSA-N -1 3 399.713 3.003 20 0 GGADHM O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cc([O-])ccc1Cl ZINC000569836658 567436193 /nfs/dbraw/zinc/43/61/93/567436193.db2.gz YJIWBRBEBIFNMM-CQSZACIVSA-N -1 3 388.620 3.411 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)o1 ZINC000569840615 567436272 /nfs/dbraw/zinc/43/62/72/567436272.db2.gz DAJRXQHEQDTEPF-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM C[C@@]1(c2ccc(Cl)s2)[N-]C(=O)N(Cc2nnc(C(F)(F)F)s2)C1=O ZINC000641449668 567436291 /nfs/dbraw/zinc/43/62/91/567436291.db2.gz QUORUYHMIFDOQI-NSHDSACASA-N -1 3 396.803 3.239 20 0 GGADHM O=C(CCSc1cccc(Cl)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000436597084 567436479 /nfs/dbraw/zinc/43/64/79/567436479.db2.gz SYJJLSKYFLSUAM-UHFFFAOYSA-N -1 3 378.881 3.074 20 0 GGADHM COc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000619149677 567436970 /nfs/dbraw/zinc/43/69/70/567436970.db2.gz ZDGHPCJKOPKSNV-LSDHHAIUSA-N -1 3 376.250 3.378 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Br)cc2[O-])n(C2CCN(C)CC2)n1 ZINC000436587496 567437324 /nfs/dbraw/zinc/43/73/24/567437324.db2.gz WNZTWMRGHLOWGW-UHFFFAOYSA-N -1 3 393.285 3.179 20 0 GGADHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528553010 567437573 /nfs/dbraw/zinc/43/75/73/567437573.db2.gz NMTPOEHNLBAHCR-GFCCVEGCSA-N -1 3 397.313 3.169 20 0 GGADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000569860168 567437776 /nfs/dbraw/zinc/43/77/76/567437776.db2.gz RNDGGZZBWCOLSP-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N(C)C)c(F)c1 ZINC000478146520 567438011 /nfs/dbraw/zinc/43/80/11/567438011.db2.gz HSNWDCKEPVJQDF-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM COc1cccc(C(=O)N2CCN(C)c3cc(Br)ccc32)c1[O-] ZINC000436621034 567438076 /nfs/dbraw/zinc/43/80/76/567438076.db2.gz ANJKRQRISFISSQ-UHFFFAOYSA-N -1 3 377.238 3.260 20 0 GGADHM Cc1c(Br)cccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436614753 567438099 /nfs/dbraw/zinc/43/80/99/567438099.db2.gz AVJHLBGEWNMLFD-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000436627555 567438173 /nfs/dbraw/zinc/43/81/73/567438173.db2.gz UHNRLKOUZZRQMJ-HNNXBMFYSA-N -1 3 396.212 3.213 20 0 GGADHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000619175595 567438702 /nfs/dbraw/zinc/43/87/02/567438702.db2.gz QEEGCVYATCMABF-UHFFFAOYSA-N -1 3 396.515 3.072 20 0 GGADHM COc1ccc(C(=O)NC(C)(C)COc2ncccc2Br)c([O-])c1 ZINC000436606975 567438959 /nfs/dbraw/zinc/43/89/59/567438959.db2.gz RPWSXSJBJSMHKI-UHFFFAOYSA-N -1 3 395.253 3.146 20 0 GGADHM Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c([O-])c1C ZINC000436627884 567439101 /nfs/dbraw/zinc/43/91/01/567439101.db2.gz VOYMVQYHRUHRGN-UHFFFAOYSA-N -1 3 391.265 3.448 20 0 GGADHM CC(C)N1CC[C@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000457099887 567439400 /nfs/dbraw/zinc/43/94/00/567439400.db2.gz VXGALEHIFDJWFV-LBPRGKRZSA-N -1 3 392.297 3.258 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)c(F)c1 ZINC000478175742 567440481 /nfs/dbraw/zinc/44/04/81/567440481.db2.gz RYRCJCJGTQBPBL-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM CCn1c2ccc(Br)cc2nc1NC(=O)c1c([O-])cccc1O ZINC000436649231 567440912 /nfs/dbraw/zinc/44/09/12/567440912.db2.gz UKUKWVDZPKUSLE-UHFFFAOYSA-N -1 3 376.210 3.482 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000569900495 567442451 /nfs/dbraw/zinc/44/24/51/567442451.db2.gz WCDSMVPCNSSEKM-GZMMTYOYSA-N -1 3 376.265 3.183 20 0 GGADHM COc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1Br ZINC000436663145 567442561 /nfs/dbraw/zinc/44/25/61/567442561.db2.gz LCTWFGFCVVDREG-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Br)c2)c([O-])c1 ZINC000436663147 567442663 /nfs/dbraw/zinc/44/26/63/567442663.db2.gz LEEVFAWFOUVRBM-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)c([O-])c1C ZINC000436679931 567442906 /nfs/dbraw/zinc/44/29/06/567442906.db2.gz LPBAYJKDQCQTSR-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM COc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c([O-])c1 ZINC000436718786 567445880 /nfs/dbraw/zinc/44/58/80/567445880.db2.gz MQIXGIDWXANPIZ-ZDUSSCGKSA-N -1 3 391.265 3.172 20 0 GGADHM COc1cccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1[O-] ZINC000436720855 567445966 /nfs/dbraw/zinc/44/59/66/567445966.db2.gz VGNJGJDAEZEFHD-ZDUSSCGKSA-N -1 3 391.265 3.172 20 0 GGADHM CN1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1Cc1ccccc1 ZINC000436730331 567446997 /nfs/dbraw/zinc/44/69/97/567446997.db2.gz KXCQPFXERCOHGS-MRXNPFEDSA-N -1 3 389.293 3.154 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000436728759 567447322 /nfs/dbraw/zinc/44/73/22/567447322.db2.gz CODWMYJQBZFXJK-OAHLLOKOSA-N -1 3 377.282 3.057 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccccc1OCC(C)C ZINC000502675386 567447418 /nfs/dbraw/zinc/44/74/18/567447418.db2.gz NIKBOPBYFGVYPF-UHFFFAOYSA-N -1 3 383.491 3.048 20 0 GGADHM CCN(CC1CCC1)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000478289303 567447437 /nfs/dbraw/zinc/44/74/37/567447437.db2.gz JCYSRSCXIKZZNS-UHFFFAOYSA-N -1 3 393.336 3.310 20 0 GGADHM CC1CCC(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)CC1 ZINC000436739755 567447584 /nfs/dbraw/zinc/44/75/84/567447584.db2.gz PDZSDFNSJBNPIN-UHFFFAOYSA-N -1 3 381.314 3.491 20 0 GGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1cncc(Br)c1 ZINC000478329514 567448535 /nfs/dbraw/zinc/44/85/35/567448535.db2.gz UBFGCCVHWRFZEZ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1cncc(Br)c1 ZINC000478329514 567448538 /nfs/dbraw/zinc/44/85/38/567448538.db2.gz UBFGCCVHWRFZEZ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cncc(Br)c1 ZINC000478329514 567448543 /nfs/dbraw/zinc/44/85/43/567448543.db2.gz UBFGCCVHWRFZEZ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC000641682024 567448645 /nfs/dbraw/zinc/44/86/45/567448645.db2.gz MTIRWQCVIFEACL-UHFFFAOYSA-N -1 3 384.841 3.106 20 0 GGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000436740590 567448924 /nfs/dbraw/zinc/44/89/24/567448924.db2.gz YWYDFVVSSKMRIT-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM CC(C)n1cc2c(n1)C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])CC2 ZINC000478348982 567449368 /nfs/dbraw/zinc/44/93/68/567449368.db2.gz YHRQHXRPLMAJGT-HNNXBMFYSA-N -1 3 392.297 3.148 20 0 GGADHM O=S(=O)(CCc1ccc(F)cc1)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000641692125 567450701 /nfs/dbraw/zinc/45/07/01/567450701.db2.gz MDCAYFOGIGBUQB-UHFFFAOYSA-N -1 3 385.770 3.222 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2ccc(Sc3nnc(C)s3)cc2C)CC1 ZINC000641683807 567450717 /nfs/dbraw/zinc/45/07/17/567450717.db2.gz WCHFYLXJTRDRDB-UHFFFAOYSA-N -1 3 385.536 3.227 20 0 GGADHM CS(=O)(=O)c1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1Br ZINC000436768888 567451341 /nfs/dbraw/zinc/45/13/41/567451341.db2.gz LQLKICZDFBTDHA-UHFFFAOYSA-N -1 3 395.234 3.275 20 0 GGADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC000436778706 567451489 /nfs/dbraw/zinc/45/14/89/567451489.db2.gz HPABGTMJLARHGE-CQSZACIVSA-N -1 3 375.266 3.472 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@H](CC)CN1C(C)=O ZINC000528740230 567451933 /nfs/dbraw/zinc/45/19/33/567451933.db2.gz SGAFLVASYPONNU-HUUCEWRRSA-N -1 3 383.286 3.016 20 0 GGADHM Cc1nc(C(=O)Nc2cc(Br)ccc2[O-])nn1-c1ccc(F)cc1 ZINC000436794563 567452175 /nfs/dbraw/zinc/45/21/75/567452175.db2.gz CAQOFNLQIAKGSU-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)[n-]1 ZINC000619447527 567453035 /nfs/dbraw/zinc/45/30/35/567453035.db2.gz DSDFICMQLDSECI-SECBINFHSA-N -1 3 398.232 3.305 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c[n-]1 ZINC000619447527 567453040 /nfs/dbraw/zinc/45/30/40/567453040.db2.gz DSDFICMQLDSECI-SECBINFHSA-N -1 3 398.232 3.305 20 0 GGADHM Cc1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c([O-])c1C ZINC000436803856 567453178 /nfs/dbraw/zinc/45/31/78/567453178.db2.gz NFOOILDSMMBNOB-UHFFFAOYSA-N -1 3 381.881 3.256 20 0 GGADHM COc1cc(-c2noc(-c3ccc(Cl)c(S(C)(=O)=O)c3)n2)ccc1[O-] ZINC000436785387 567453205 /nfs/dbraw/zinc/45/32/05/567453205.db2.gz PAGBPVNZBFLINK-UHFFFAOYSA-N -1 3 380.809 3.175 20 0 GGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1csc(-c2ccccc2)n1 ZINC000570033352 567454286 /nfs/dbraw/zinc/45/42/86/567454286.db2.gz QNKXJDHYWAMGCC-UHFFFAOYSA-N -1 3 375.475 3.155 20 0 GGADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(O)c(Br)c2)[n-]c1=O ZINC000436814619 567454273 /nfs/dbraw/zinc/45/42/73/567454273.db2.gz IKSIQLJOXFPUSA-TWGQIWQCSA-N -1 3 379.210 3.388 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCCc2ccc(Br)s2)[n-]1 ZINC000619449607 567454684 /nfs/dbraw/zinc/45/46/84/567454684.db2.gz OEAFVXAZRFXVDN-UHFFFAOYSA-N -1 3 386.271 3.372 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCCc2ccc(Br)s2)c[n-]1 ZINC000619449607 567454690 /nfs/dbraw/zinc/45/46/90/567454690.db2.gz OEAFVXAZRFXVDN-UHFFFAOYSA-N -1 3 386.271 3.372 20 0 GGADHM C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cc2ccccc2s1 ZINC000502815828 567454764 /nfs/dbraw/zinc/45/47/64/567454764.db2.gz FWXIMUUGSICQMW-NSHDSACASA-N -1 3 375.475 3.159 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2C[C@@H](C)O[C@H](C)C2)c(F)cc1Br ZINC000570065793 567455291 /nfs/dbraw/zinc/45/52/91/567455291.db2.gz HOKRZKOOMGHEAY-NXEZZACHSA-N -1 3 380.279 3.131 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000478440241 567455828 /nfs/dbraw/zinc/45/58/28/567455828.db2.gz WOLQNGBODMKCAA-CQSZACIVSA-N -1 3 383.231 3.121 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc(O)cc1[O-] ZINC000436834915 567456066 /nfs/dbraw/zinc/45/60/66/567456066.db2.gz BBUMMBXPUKOXSX-UHFFFAOYSA-N -1 3 375.222 3.314 20 0 GGADHM CN(C)Cc1cccc(CNC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436847040 567456346 /nfs/dbraw/zinc/45/63/46/567456346.db2.gz JGWKMPWFRVQOBO-UHFFFAOYSA-N -1 3 381.245 3.285 20 0 GGADHM COc1ccc(C(=O)N(C)Cc2cc(OC)ccc2Br)c([O-])c1 ZINC000436845204 567456492 /nfs/dbraw/zinc/45/64/92/567456492.db2.gz RZHMAHGHDUOOPO-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cc(OC)ccc2[O-])c1 ZINC000436841530 567456541 /nfs/dbraw/zinc/45/65/41/567456541.db2.gz BASARHSWLKVYMM-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)cc1F ZINC000570086390 567456647 /nfs/dbraw/zinc/45/66/47/567456647.db2.gz ZWTSYYIDZQDERE-GFCCVEGCSA-N -1 3 389.857 3.293 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000550683855 567457575 /nfs/dbraw/zinc/45/75/75/567457575.db2.gz GTKBISDBFLQTGF-UHFFFAOYSA-N -1 3 379.243 3.234 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000528799865 567458380 /nfs/dbraw/zinc/45/83/80/567458380.db2.gz RQJIAKSRHTWTLJ-QGZVFWFLSA-N -1 3 398.297 3.345 20 0 GGADHM O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000478453093 567458815 /nfs/dbraw/zinc/45/88/15/567458815.db2.gz FAYWWYIRAWJMQE-OAHLLOKOSA-N -1 3 377.227 3.298 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)s1 ZINC000641877560 567459312 /nfs/dbraw/zinc/45/93/12/567459312.db2.gz RBHZVTLLCMSBDY-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([O-])cc(Br)c1 ZINC000528825304 567459662 /nfs/dbraw/zinc/45/96/62/567459662.db2.gz FXQPHDMAAHFOKB-OAHLLOKOSA-N -1 3 395.297 3.066 20 0 GGADHM Cc1cccc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)c1[O-] ZINC000436869660 567460636 /nfs/dbraw/zinc/46/06/36/567460636.db2.gz NPPXDMQEJZFWLL-CQSZACIVSA-N -1 3 378.266 3.044 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000570150683 567461386 /nfs/dbraw/zinc/46/13/86/567461386.db2.gz YSYPATSVKFHLDZ-LLVKDONJSA-N -1 3 376.906 3.410 20 0 GGADHM Cc1cccc(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)c1[O-] ZINC000436867463 567461728 /nfs/dbraw/zinc/46/17/28/567461728.db2.gz COWXPUINQSXMTQ-CQSZACIVSA-N -1 3 378.266 3.044 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)cc1F ZINC000550799486 567462235 /nfs/dbraw/zinc/46/22/35/567462235.db2.gz LOBFTMSNBAHCPT-QHCPKHFHSA-N -1 3 391.873 3.167 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000619521404 567462163 /nfs/dbraw/zinc/46/21/63/567462163.db2.gz WHUNJXWPTJOASD-MRXNPFEDSA-N -1 3 382.844 3.403 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000619521403 567462286 /nfs/dbraw/zinc/46/22/86/567462286.db2.gz WHUNJXWPTJOASD-INIZCTEOSA-N -1 3 382.844 3.403 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cscc2Br)CC1 ZINC000436884668 567462621 /nfs/dbraw/zinc/46/26/21/567462621.db2.gz GNWHHMHFUPIQDG-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM C[C@H]1CC[C@@H](CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)O1 ZINC000457389850 567462695 /nfs/dbraw/zinc/46/26/95/567462695.db2.gz YHOCIZWBVXTBKV-WPRPVWTQSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]1CC[C@@H](CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])O1 ZINC000457389850 567462698 /nfs/dbraw/zinc/46/26/98/567462698.db2.gz YHOCIZWBVXTBKV-WPRPVWTQSA-N -1 3 399.672 3.241 20 0 GGADHM Cc1cccc(C(=O)NC[C@H](CO)Cc2ccccc2Br)c1[O-] ZINC000436872953 567463068 /nfs/dbraw/zinc/46/30/68/567463068.db2.gz YFGZSEQGXFPVGN-CYBMUJFWSA-N -1 3 378.266 3.044 20 0 GGADHM Cc1cc(F)ccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000641996226 567463527 /nfs/dbraw/zinc/46/35/27/567463527.db2.gz ZDPOQABJGMDYIJ-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(Br)ccc1[O-] ZINC000436906643 567464072 /nfs/dbraw/zinc/46/40/72/567464072.db2.gz CZAOFVGWTFIFKL-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2cc(F)cc(Br)c2[O-])o1 ZINC000436896877 567464230 /nfs/dbraw/zinc/46/42/30/567464230.db2.gz OYHVWJZYQJBYHJ-UHFFFAOYSA-N -1 3 399.260 3.399 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC2([S@@](C)=O)CCC2)c1Cl ZINC000619550414 567464839 /nfs/dbraw/zinc/46/48/39/567464839.db2.gz ZWSNGTZNQLHAGA-OAQYLSRUSA-N -1 3 384.350 3.190 20 0 GGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000642018055 567464895 /nfs/dbraw/zinc/46/48/95/567464895.db2.gz PCEPFAZPINNVCF-LBPRGKRZSA-N -1 3 386.926 3.290 20 0 GGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000642018054 567465000 /nfs/dbraw/zinc/46/50/00/567465000.db2.gz PCEPFAZPINNVCF-GFCCVEGCSA-N -1 3 386.926 3.290 20 0 GGADHM C[S@@](=O)C1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000619550319 567465140 /nfs/dbraw/zinc/46/51/40/567465140.db2.gz LVVAROUULSKFMM-OAQYLSRUSA-N -1 3 377.940 3.134 20 0 GGADHM C[S@@](=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000619548779 567465308 /nfs/dbraw/zinc/46/53/08/567465308.db2.gz XNAYRXBUOGCJDC-JOCHJYFZSA-N -1 3 396.292 3.348 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cncc(Cl)c2C)cc1OC ZINC000457449931 567466362 /nfs/dbraw/zinc/46/63/62/567466362.db2.gz HDLNVFZCCLZXFX-UHFFFAOYSA-N -1 3 383.857 3.066 20 0 GGADHM COC(=O)[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(Br)cc1 ZINC000436923983 567466422 /nfs/dbraw/zinc/46/64/22/567466422.db2.gz DOLWSKPYKKBYAJ-HNNXBMFYSA-N -1 3 378.222 3.107 20 0 GGADHM CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436929225 567466688 /nfs/dbraw/zinc/46/66/88/567466688.db2.gz YPFMVLVSMJSCRA-UHFFFAOYSA-N -1 3 388.339 3.189 20 0 GGADHM COC(=O)c1cc(NC(=O)c2cccc(OC)c2[O-])cc(Br)c1F ZINC000436950932 567468232 /nfs/dbraw/zinc/46/82/32/567468232.db2.gz XIAGLQDNXUAIRC-UHFFFAOYSA-N -1 3 398.184 3.341 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000619596580 567468318 /nfs/dbraw/zinc/46/83/18/567468318.db2.gz UVPJWBJRYYBRMK-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM CCCN(CCN1CCN(CC)CC1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436935996 567469170 /nfs/dbraw/zinc/46/91/70/567469170.db2.gz XWDNDRNFPUWCTR-UHFFFAOYSA-N -1 3 388.339 3.189 20 0 GGADHM COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cc(C)ccc1[O-] ZINC000436971666 567470011 /nfs/dbraw/zinc/47/00/11/567470011.db2.gz PJSMOLZAUGVIGV-UHFFFAOYSA-N -1 3 392.249 3.279 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528930767 567470346 /nfs/dbraw/zinc/47/03/46/567470346.db2.gz FJTDPKKJKKCARY-LLVKDONJSA-N -1 3 391.269 3.170 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2cc(C3CC3)no2)c(Br)cc1F ZINC000619654715 567471312 /nfs/dbraw/zinc/47/13/12/567471312.db2.gz OHGLSLLUGONNKV-UHFFFAOYSA-N -1 3 383.173 3.493 20 0 GGADHM CC(C)(NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000550973542 567471402 /nfs/dbraw/zinc/47/14/02/567471402.db2.gz KXHFLVIXKYBLAZ-UHFFFAOYSA-N -1 3 386.926 3.121 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@]2(C)CCCCO2)c(F)cc1F ZINC000457520596 567471786 /nfs/dbraw/zinc/47/17/86/567471786.db2.gz LFUUQZFVVLWEBX-MRXNPFEDSA-N -1 3 376.425 3.014 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2)s1 ZINC000619664510 567472409 /nfs/dbraw/zinc/47/24/09/567472409.db2.gz RYFJGHONGYMEBX-RYUDHWBXSA-N -1 3 384.498 3.166 20 0 GGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503173553 567472606 /nfs/dbraw/zinc/47/26/06/567472606.db2.gz QUEBOZXXQIRUFP-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503173553 567472610 /nfs/dbraw/zinc/47/26/10/567472610.db2.gz QUEBOZXXQIRUFP-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503173553 567472614 /nfs/dbraw/zinc/47/26/14/567472614.db2.gz QUEBOZXXQIRUFP-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC000503219968 567473563 /nfs/dbraw/zinc/47/35/63/567473563.db2.gz HKUVOZPLHZGNTB-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cn4ccsc4n3)s2)cs1 ZINC000503213088 567473743 /nfs/dbraw/zinc/47/37/43/567473743.db2.gz TYJBJGARBBTZJK-UHFFFAOYSA-N -1 3 396.544 3.368 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCSCC ZINC000619714607 567474222 /nfs/dbraw/zinc/47/42/22/567474222.db2.gz KKHXBHODVGQTBY-UHFFFAOYSA-N -1 3 382.345 3.269 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccccc1-c1cccs1 ZINC000642320481 567474698 /nfs/dbraw/zinc/47/46/98/567474698.db2.gz ZGEMYEGTAMFDNX-UHFFFAOYSA-N -1 3 378.500 3.394 20 0 GGADHM O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Br)cc1[O-] ZINC000642323460 567474728 /nfs/dbraw/zinc/47/47/28/567474728.db2.gz ABDHFLUNECHVOB-UHFFFAOYSA-N -1 3 383.267 3.365 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)OCCc2sccc21 ZINC000570321280 567474901 /nfs/dbraw/zinc/47/49/01/567474901.db2.gz CUUDWSXUIQSOFG-OAHLLOKOSA-N -1 3 375.874 3.307 20 0 GGADHM CCCCCn1cc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)n1 ZINC000503229270 567475218 /nfs/dbraw/zinc/47/52/18/567475218.db2.gz ASWIVWCZRNUOLQ-UHFFFAOYSA-N -1 3 375.416 3.278 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2Br)nc1C ZINC000503224141 567476034 /nfs/dbraw/zinc/47/60/34/567476034.db2.gz POCYHPOYYJYWMC-UHFFFAOYSA-N -1 3 386.315 3.188 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)s3)cc2N1 ZINC000642333109 567476149 /nfs/dbraw/zinc/47/61/49/567476149.db2.gz YSUAXIBCTVRMEZ-UHFFFAOYSA-N -1 3 391.301 3.418 20 0 GGADHM CCN(Cc1cccc(Br)c1)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000642346932 567476330 /nfs/dbraw/zinc/47/63/30/567476330.db2.gz ZCAIEVGYOJQWDF-UHFFFAOYSA-N -1 3 378.270 3.153 20 0 GGADHM Cc1ncc(CNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000529007397 567476651 /nfs/dbraw/zinc/47/66/51/567476651.db2.gz ABTQCFWETYMWMC-CQSZACIVSA-N -1 3 384.263 3.173 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478701249 567476817 /nfs/dbraw/zinc/47/68/17/567476817.db2.gz HOUFDIYUXABTAN-PRHODGIISA-N -1 3 386.823 3.261 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2CCCCCC2)c1OC ZINC000551083255 567477463 /nfs/dbraw/zinc/47/74/63/567477463.db2.gz SMSUZJJUKJQGLK-UHFFFAOYSA-N -1 3 375.874 3.136 20 0 GGADHM O=C(c1ccc(NCc2cc([O-])ccc2Br)cc1)N1CCOCC1 ZINC000437118778 567478274 /nfs/dbraw/zinc/47/82/74/567478274.db2.gz OVVSNSJBZXBXIZ-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)s1 ZINC000479226960 567516196 /nfs/dbraw/zinc/51/61/96/567516196.db2.gz OLOPMQVAIUCONG-MRVPVSSYSA-N -1 3 398.344 3.218 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N(CC)CC)s1 ZINC000642400644 567478837 /nfs/dbraw/zinc/47/88/37/567478837.db2.gz ZECYQYKNHKIXCL-CQSZACIVSA-N -1 3 379.555 3.277 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C)CC=CC2)c(Br)c1 ZINC000594473567 567479127 /nfs/dbraw/zinc/47/91/27/567479127.db2.gz MHMVFFPURIXNDH-UHFFFAOYSA-N -1 3 388.283 3.013 20 0 GGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000478721429 567479188 /nfs/dbraw/zinc/47/91/88/567479188.db2.gz HPLUZFSAKAHRHH-ZDUSSCGKSA-N -1 3 384.864 3.474 20 0 GGADHM COc1ccc(OC)c([N-]C(=O)c2nc(-c3ccc(Br)o3)no2)c1 ZINC000478728367 567479209 /nfs/dbraw/zinc/47/92/09/567479209.db2.gz XPMLEXMYEWAWMC-UHFFFAOYSA-N -1 3 394.181 3.362 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000642524104 567481159 /nfs/dbraw/zinc/48/11/59/567481159.db2.gz RCCWUBDKIZAEKP-QWRGUYRKSA-N -1 3 382.345 3.384 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)(C)C)s1 ZINC000594478541 567480927 /nfs/dbraw/zinc/48/09/27/567480927.db2.gz UWZBREQARXJSRL-MRVPVSSYSA-N -1 3 398.344 3.075 20 0 GGADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503334678 567481507 /nfs/dbraw/zinc/48/15/07/567481507.db2.gz ZDVWYXJXHOIKKO-UHFFFAOYSA-N -1 3 381.885 3.157 20 0 GGADHM O=S(=O)([N-][C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccn1 ZINC000478759255 567481782 /nfs/dbraw/zinc/48/17/82/567481782.db2.gz IMZUAQPALZZIEF-OAHLLOKOSA-N -1 3 385.258 3.413 20 0 GGADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000478761270 567482051 /nfs/dbraw/zinc/48/20/51/567482051.db2.gz BMZWNHZAXSMWPS-UONOGXRCSA-N -1 3 394.306 3.460 20 0 GGADHM CCCNC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551167535 567482356 /nfs/dbraw/zinc/48/23/56/567482356.db2.gz LXJYRAUQNKVSGN-UHFFFAOYSA-N -1 3 384.860 3.097 20 0 GGADHM CC(C)[C@H](CNCc1c(F)ccc(I)c1F)C(=O)[O-] ZINC000594540187 567483216 /nfs/dbraw/zinc/48/32/16/567483216.db2.gz DTFIWDOZKGGVPK-QMMMGPOBSA-N -1 3 383.176 3.016 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)cc1OC(F)F ZINC000529072864 567483526 /nfs/dbraw/zinc/48/35/26/567483526.db2.gz YMBBWKMJHJCCDO-JGVFFNPUSA-N -1 3 392.225 3.010 20 0 GGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000551170131 567483783 /nfs/dbraw/zinc/48/37/83/567483783.db2.gz PIUDUSSIPHDHAB-QFIPXVFZSA-N -1 3 375.874 3.467 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000551174501 567484077 /nfs/dbraw/zinc/48/40/77/567484077.db2.gz XFRXBOUODTYXPS-JOCHJYFZSA-N -1 3 379.837 3.298 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000478790852 567484271 /nfs/dbraw/zinc/48/42/71/567484271.db2.gz XWHOGCXXUKSVIX-MNOVXSKESA-N -1 3 382.345 3.383 20 0 GGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000551170129 567484206 /nfs/dbraw/zinc/48/42/06/567484206.db2.gz PIUDUSSIPHDHAB-JOCHJYFZSA-N -1 3 375.874 3.467 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000478790853 567484622 /nfs/dbraw/zinc/48/46/22/567484622.db2.gz XWHOGCXXUKSVIX-QWRGUYRKSA-N -1 3 382.345 3.383 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1cccc(Cl)c1 ZINC000570427859 567484646 /nfs/dbraw/zinc/48/46/46/567484646.db2.gz MKWRGVJBGPUTFO-HNNXBMFYSA-N -1 3 386.901 3.433 20 0 GGADHM Cc1csc([C@@H]2COCCN2C(=O)c2cc([O-])cc(Br)c2)n1 ZINC000529082317 567485075 /nfs/dbraw/zinc/48/50/75/567485075.db2.gz QWNGVGJKJHBBEW-ZDUSSCGKSA-N -1 3 383.267 3.133 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)OC(C)(C)C ZINC000570449922 567486646 /nfs/dbraw/zinc/48/66/46/567486646.db2.gz GRSJTWMOLNLTCG-LLVKDONJSA-N -1 3 398.308 3.401 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cs1 ZINC000437284219 567486869 /nfs/dbraw/zinc/48/68/69/567486869.db2.gz AYDUROKFTXNZNH-LLVKDONJSA-N -1 3 395.531 3.453 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2 ZINC000551207147 567486950 /nfs/dbraw/zinc/48/69/50/567486950.db2.gz MIUDBHJNMCEZTA-UHFFFAOYSA-N -1 3 379.869 3.406 20 0 GGADHM O=S(=O)([N-]C(c1cccs1)c1cccs1)c1cn2c(n1)CCCC2 ZINC000503474603 567487343 /nfs/dbraw/zinc/48/73/43/567487343.db2.gz CZUBBIZOYGBHHD-UHFFFAOYSA-N -1 3 379.532 3.410 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cs1 ZINC000437291348 567487577 /nfs/dbraw/zinc/48/75/77/567487577.db2.gz IFGIMJVBZSHEJA-VIFPVBQESA-N -1 3 396.412 3.228 20 0 GGADHM Cn1nc(C(F)(F)F)cc1CNC[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000663259299 567487830 /nfs/dbraw/zinc/48/78/30/567487830.db2.gz WNRVROGQZMAHGG-NSHDSACASA-N -1 3 375.778 3.125 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000503479403 567488543 /nfs/dbraw/zinc/48/85/43/567488543.db2.gz ZLOFSZSAKSXJEL-JTQLQIEISA-N -1 3 378.263 3.231 20 0 GGADHM O=S(=O)(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)c2ccccc21 ZINC000478888131 567488784 /nfs/dbraw/zinc/48/87/84/567488784.db2.gz WRSOOWQSIZUUTK-UHFFFAOYSA-N -1 3 390.774 3.109 20 0 GGADHM O=S(=O)(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)c2ccccc21 ZINC000478888131 567488787 /nfs/dbraw/zinc/48/87/87/567488787.db2.gz WRSOOWQSIZUUTK-UHFFFAOYSA-N -1 3 390.774 3.109 20 0 GGADHM O=S(=O)(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)c2ccccc21 ZINC000478888131 567488791 /nfs/dbraw/zinc/48/87/91/567488791.db2.gz WRSOOWQSIZUUTK-UHFFFAOYSA-N -1 3 390.774 3.109 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000503479404 567489025 /nfs/dbraw/zinc/48/90/25/567489025.db2.gz ZLOFSZSAKSXJEL-SNVBAGLBSA-N -1 3 378.263 3.231 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)ccc1OC(F)F ZINC000663262174 567489227 /nfs/dbraw/zinc/48/92/27/567489227.db2.gz QLLMYBXFPONSHI-OAHLLOKOSA-N -1 3 379.425 3.244 20 0 GGADHM O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc([O-])cc(Br)c1 ZINC000529131417 567489333 /nfs/dbraw/zinc/48/93/33/567489333.db2.gz VHPZEWBDVXJLJY-INIZCTEOSA-N -1 3 395.297 3.208 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000437298109 567489443 /nfs/dbraw/zinc/48/94/43/567489443.db2.gz FGRKSXMCQJFQAJ-ONGXEEELSA-N -1 3 385.429 3.182 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)cc1F ZINC000551226160 567489517 /nfs/dbraw/zinc/48/95/17/567489517.db2.gz GUOMXHHVMNLAFO-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000437301668 567489747 /nfs/dbraw/zinc/48/97/47/567489747.db2.gz AYSIEOPRFZPOEX-UONOGXRCSA-N -1 3 392.249 3.458 20 0 GGADHM [O-]c1cccnc1CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000570503917 567491214 /nfs/dbraw/zinc/49/12/14/567491214.db2.gz PGSWHCMBKQYINZ-CYBMUJFWSA-N -1 3 391.187 3.392 20 0 GGADHM Cc1ccc([C@H](C)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000503528229 567491317 /nfs/dbraw/zinc/49/13/17/567491317.db2.gz SJZMZQSZQPXEEF-CABCVRRESA-N -1 3 380.535 3.251 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(Br)c2)cs1 ZINC000437332046 567491667 /nfs/dbraw/zinc/49/16/67/567491667.db2.gz YRSZERJYLYMBJS-VIFPVBQESA-N -1 3 391.312 3.092 20 0 GGADHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cncc(Br)c3)C2)c1 ZINC000570523939 567492504 /nfs/dbraw/zinc/49/25/04/567492504.db2.gz UHDQMZCVSKYHAT-MQMHXKEQSA-N -1 3 397.294 3.077 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(Cl)cc1Cl ZINC000570546664 567493138 /nfs/dbraw/zinc/49/31/38/567493138.db2.gz NHYAGGKCMZKQPN-UHFFFAOYSA-N -1 3 382.066 3.374 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(C)C)s1 ZINC000437336562 567493805 /nfs/dbraw/zinc/49/38/05/567493805.db2.gz HIRSFFYBATVWDJ-CQSZACIVSA-N -1 3 385.482 3.219 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(Br)cc(Br)c1 ZINC000529169585 567494334 /nfs/dbraw/zinc/49/43/34/567494334.db2.gz WSTPCYHRAIQLHL-MRVPVSSYSA-N -1 3 394.063 3.301 20 0 GGADHM O=S(=O)([N-]C[C@H]1OCCc2ccccc21)c1ccc(C(F)(F)F)s1 ZINC000643195217 567497047 /nfs/dbraw/zinc/49/70/47/567497047.db2.gz YTUSNVRYJYCXOJ-GFCCVEGCSA-N -1 3 377.409 3.359 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCc3ccc(Br)cc3C2)c(=O)[n-]1 ZINC000551324945 567497300 /nfs/dbraw/zinc/49/73/00/567497300.db2.gz CQHUHWDTXPLXDX-UHFFFAOYSA-N -1 3 390.281 3.079 20 0 GGADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CCC2 ZINC000643202508 567497768 /nfs/dbraw/zinc/49/77/68/567497768.db2.gz YYILHRAZCWDPSA-JTQLQIEISA-N -1 3 379.429 3.128 20 0 GGADHM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc([O-])cc(Br)c1 ZINC000529217172 567498132 /nfs/dbraw/zinc/49/81/32/567498132.db2.gz MSOYCJRRGBBKJH-JTQLQIEISA-N -1 3 380.242 3.035 20 0 GGADHM O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479044713 567498439 /nfs/dbraw/zinc/49/84/39/567498439.db2.gz ORCDHFYBNQRPGU-AWEZNQCLSA-N -1 3 379.185 3.087 20 0 GGADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cc1 ZINC000643213473 567499395 /nfs/dbraw/zinc/49/93/95/567499395.db2.gz KVQKKFXNZNEXFR-ZDUSSCGKSA-N -1 3 378.519 3.109 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Br)c(F)c2C)CC1 ZINC000594698668 567500396 /nfs/dbraw/zinc/50/03/96/567500396.db2.gz DTLUOQIXGIZOCF-UHFFFAOYSA-N -1 3 394.262 3.124 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl)C1CCCC1 ZINC000594695555 567500700 /nfs/dbraw/zinc/50/07/00/567500700.db2.gz TUQPESBAXVZPKV-MWTRTKDXSA-N -1 3 393.958 3.165 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2ncnc3ccc(C(C)C)cc32)s1 ZINC000663367494 567501325 /nfs/dbraw/zinc/50/13/25/567501325.db2.gz XNEAOOAVQFREIC-UHFFFAOYSA-N -1 3 376.507 3.335 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570646314 567501782 /nfs/dbraw/zinc/50/17/82/567501782.db2.gz GZCRPECOWHVYBH-ZJUUUORDSA-N -1 3 382.707 3.338 20 0 GGADHM CCO[C@H]1C[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000457883021 567502020 /nfs/dbraw/zinc/50/20/20/567502020.db2.gz WKYGGTJNRSAVRT-AOOOYVTPSA-N -1 3 399.672 3.241 20 0 GGADHM CCO[C@H]1C[C@@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000457883021 567502026 /nfs/dbraw/zinc/50/20/26/567502026.db2.gz WKYGGTJNRSAVRT-AOOOYVTPSA-N -1 3 399.672 3.241 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1c(F)cc(Br)cc1F ZINC000570655358 567502257 /nfs/dbraw/zinc/50/22/57/567502257.db2.gz ZNIRVFKQVCJFPJ-UHFFFAOYSA-N -1 3 398.147 3.048 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570646272 567502282 /nfs/dbraw/zinc/50/22/82/567502282.db2.gz GZCRPECOWHVYBH-NXEZZACHSA-N -1 3 382.707 3.338 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)s1 ZINC000437646564 567502414 /nfs/dbraw/zinc/50/24/14/567502414.db2.gz PDYQVWSTJMYMOC-DGCLKSJQSA-N -1 3 397.595 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(C(F)(F)F)s1 ZINC000570669193 567502951 /nfs/dbraw/zinc/50/29/51/567502951.db2.gz CUQKQGGSIXQZAM-VXGBXAGGSA-N -1 3 392.424 3.361 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000620164856 567503387 /nfs/dbraw/zinc/50/33/87/567503387.db2.gz HSQWQUJLYPPPMV-HUUCEWRRSA-N -1 3 384.567 3.234 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)c1ccco1 ZINC000503725012 567504047 /nfs/dbraw/zinc/50/40/47/567504047.db2.gz JQYSUUQBBMRFJA-JTQLQIEISA-N -1 3 394.312 3.468 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ncc(C)cc1Br ZINC000643276270 567504193 /nfs/dbraw/zinc/50/41/93/567504193.db2.gz ORLIZYJMVBFIRL-CQSZACIVSA-N -1 3 399.310 3.152 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000437683406 567505192 /nfs/dbraw/zinc/50/51/92/567505192.db2.gz BOEFCNMJTUFVDC-UHFFFAOYSA-N -1 3 375.855 3.144 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCOC1 ZINC000503765349 567505329 /nfs/dbraw/zinc/50/53/29/567505329.db2.gz NDUHFHSTGRFYBT-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000551433163 567505782 /nfs/dbraw/zinc/50/57/82/567505782.db2.gz JMNBESRDLKEUJP-UONOGXRCSA-N -1 3 378.885 3.363 20 0 GGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1 ZINC000479129501 567506448 /nfs/dbraw/zinc/50/64/48/567506448.db2.gz MFOBACVDVCBGRC-HNNXBMFYSA-N -1 3 379.400 3.099 20 0 GGADHM O=S(=O)([N-][C@H]1CCCOc2c(Cl)cccc21)c1cn2c(n1)CCCC2 ZINC000503779028 567506547 /nfs/dbraw/zinc/50/65/47/567506547.db2.gz WNMZISKYDHCWLD-AWEZNQCLSA-N -1 3 381.885 3.065 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(Br)c1)c1ccco1 ZINC000503785382 567506759 /nfs/dbraw/zinc/50/67/59/567506759.db2.gz GMZIOXUTQBVTOU-CQSZACIVSA-N -1 3 388.283 3.407 20 0 GGADHM CCc1cc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)n[nH]1 ZINC000551437844 567507201 /nfs/dbraw/zinc/50/72/01/567507201.db2.gz ZUNUTMQDXWNEQB-UHFFFAOYSA-N -1 3 386.213 3.237 20 0 GGADHM CCc1cc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)n[nH]1 ZINC000551437844 567507202 /nfs/dbraw/zinc/50/72/02/567507202.db2.gz ZUNUTMQDXWNEQB-UHFFFAOYSA-N -1 3 386.213 3.237 20 0 GGADHM CCc1cc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)n[nH]1 ZINC000551437844 567507209 /nfs/dbraw/zinc/50/72/09/567507209.db2.gz ZUNUTMQDXWNEQB-UHFFFAOYSA-N -1 3 386.213 3.237 20 0 GGADHM O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc([O-])ccc1Cl ZINC000551442165 567507476 /nfs/dbraw/zinc/50/74/76/567507476.db2.gz LOTHZRBKAXGOAV-UHFFFAOYSA-N -1 3 381.617 3.009 20 0 GGADHM COc1cnc([N-]S(=O)(=O)c2cccc(SC)c2)c(Br)c1 ZINC000570720600 567507813 /nfs/dbraw/zinc/50/78/13/567507813.db2.gz LTLAXEFHJQJLAW-UHFFFAOYSA-N -1 3 389.296 3.375 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CSC ZINC000594753447 567508078 /nfs/dbraw/zinc/50/80/78/567508078.db2.gz JUMFNKUOHKUTMI-JTQLQIEISA-N -1 3 382.345 3.268 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1ccco1 ZINC000503843609 567508320 /nfs/dbraw/zinc/50/83/20/567508320.db2.gz GITXHUPMSDKCLX-ABAIWWIYSA-N -1 3 385.869 3.313 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000594771482 567510499 /nfs/dbraw/zinc/51/04/99/567510499.db2.gz XILRGLMVHLUTTI-LBPRGKRZSA-N -1 3 382.835 3.121 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)nc(C)n1 ZINC000551482587 567510579 /nfs/dbraw/zinc/51/05/79/567510579.db2.gz MMGLOKRSIJNVQE-UHFFFAOYSA-N -1 3 379.791 3.244 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(SC)CC1 ZINC000594772312 567510587 /nfs/dbraw/zinc/51/05/87/567510587.db2.gz WZFRBBYOCQHLOF-UHFFFAOYSA-N -1 3 394.356 3.412 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1Br)c1ccco1 ZINC000503881845 567511450 /nfs/dbraw/zinc/51/14/50/567511450.db2.gz DJXKVWRBDWSKPL-ZDUSSCGKSA-N -1 3 388.283 3.407 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-]c1c(Cl)cc(F)cc1Cl ZINC000479163508 567511543 /nfs/dbraw/zinc/51/15/43/567511543.db2.gz YJZRUUXKKGSFNK-UHFFFAOYSA-N -1 3 385.225 3.176 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)SC ZINC000594775272 567511929 /nfs/dbraw/zinc/51/19/29/567511929.db2.gz JIODVLMJKCYUGO-SNVBAGLBSA-N -1 3 382.345 3.268 20 0 GGADHM COC(=O)c1nsc([N-]C(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000570773069 567512785 /nfs/dbraw/zinc/51/27/85/567512785.db2.gz UWSSEADHNIFTOM-UHFFFAOYSA-N -1 3 378.410 3.148 20 0 GGADHM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc([O-])cc(Br)c1 ZINC000529401858 567512921 /nfs/dbraw/zinc/51/29/21/567512921.db2.gz GRPTUBXBJIFHAA-FUHWJXTLSA-N -1 3 376.250 3.051 20 0 GGADHM C[C@@]1(CNC(=O)c2cc([O-])cc(Br)c2)OCCc2sccc21 ZINC000529401178 567513017 /nfs/dbraw/zinc/51/30/17/567513017.db2.gz FVBOFLMAUAQPHG-INIZCTEOSA-N -1 3 382.279 3.434 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC(C)(C)CC(C)(C)C2)s1 ZINC000663535839 567514650 /nfs/dbraw/zinc/51/46/50/567514650.db2.gz AXEFHYJAFDJYGP-UHFFFAOYSA-N -1 3 387.571 3.014 20 0 GGADHM COc1cc(C(=O)N=c2[n-]n(C)cc2Br)ccc1OC1CCCC1 ZINC000570803033 567514918 /nfs/dbraw/zinc/51/49/18/567514918.db2.gz YVQWJNBXRBCCED-UHFFFAOYSA-N -1 3 394.269 3.187 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)s1 ZINC000479218386 567515776 /nfs/dbraw/zinc/51/57/76/567515776.db2.gz FOGMVPONNWDSMH-MRVPVSSYSA-N -1 3 377.846 3.367 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000479227916 567516021 /nfs/dbraw/zinc/51/60/21/567516021.db2.gz UVVVPFBGELCXBA-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM CSCC1(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000594818077 567516705 /nfs/dbraw/zinc/51/67/05/567516705.db2.gz GHGPODPBFRWAIE-UHFFFAOYSA-N -1 3 382.320 3.400 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000503986398 567516957 /nfs/dbraw/zinc/51/69/57/567516957.db2.gz NCYVSGYTLDIAJC-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000503986398 567516961 /nfs/dbraw/zinc/51/69/61/567516961.db2.gz NCYVSGYTLDIAJC-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503986398 567516966 /nfs/dbraw/zinc/51/69/66/567516966.db2.gz NCYVSGYTLDIAJC-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc([O-])cc(Br)c1 ZINC000529459032 567517321 /nfs/dbraw/zinc/51/73/21/567517321.db2.gz KOGJFUKSEDXMEF-GOEBONIOSA-N -1 3 377.238 3.200 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)c(Cl)c1Cl ZINC000479244130 567517738 /nfs/dbraw/zinc/51/77/38/567517738.db2.gz LCAFQDPRRUGBAK-SECBINFHSA-N -1 3 398.308 3.401 20 0 GGADHM Cc1ccc(C[C@@H](CO)NC(=O)c2cc([O-])cc(Br)c2)cc1C ZINC000529477436 567518845 /nfs/dbraw/zinc/51/88/45/567518845.db2.gz ZQBVREPWTDGUQQ-INIZCTEOSA-N -1 3 378.266 3.105 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC(C)(C)F)c(Br)c1 ZINC000594844701 567519505 /nfs/dbraw/zinc/51/95/05/567519505.db2.gz LFNNSNLAOWRIBL-UHFFFAOYSA-N -1 3 396.278 3.042 20 0 GGADHM COC1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529493270 567520299 /nfs/dbraw/zinc/52/02/99/567520299.db2.gz JEFWWXRUDQRGIE-UHFFFAOYSA-N -1 3 382.176 3.338 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cn1 ZINC000479272397 567520264 /nfs/dbraw/zinc/52/02/64/567520264.db2.gz QZZLHZFTIXWKAW-UHFFFAOYSA-N -1 3 397.865 3.241 20 0 GGADHM CC(C)CCN(C(=O)NCC[N-]S(=O)(=O)c1cccs1)C1CCCC1 ZINC000438148711 567520505 /nfs/dbraw/zinc/52/05/05/567520505.db2.gz BDEHHBOOHYQAIA-UHFFFAOYSA-N -1 3 387.571 3.027 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)c2ccccc2O1 ZINC000570899126 567522879 /nfs/dbraw/zinc/52/28/79/567522879.db2.gz MWNHCOOZKKOMDS-QMTHXVAHSA-N -1 3 383.267 3.035 20 0 GGADHM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cc([O-])cc(Br)c1 ZINC000529506981 567522881 /nfs/dbraw/zinc/52/28/81/567522881.db2.gz MZQYKKLEVBNAEQ-SFHVURJKSA-N -1 3 376.250 3.061 20 0 GGADHM Brc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc2c1OCO2 ZINC000643895053 567524405 /nfs/dbraw/zinc/52/44/05/567524405.db2.gz CZDZTHWJCOVONY-UHFFFAOYSA-N -1 3 386.165 3.166 20 0 GGADHM O=C(CCCCc1ccc(Br)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504148864 567524651 /nfs/dbraw/zinc/52/46/51/567524651.db2.gz KYHWNGFYRLPMGZ-UHFFFAOYSA-N -1 3 390.281 3.242 20 0 GGADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438348387 567526580 /nfs/dbraw/zinc/52/65/80/567526580.db2.gz KHEANOBOIMFYCH-GHMZBOCLSA-N -1 3 381.420 3.083 20 0 GGADHM CCN(CC(C)C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438355227 567527140 /nfs/dbraw/zinc/52/71/40/567527140.db2.gz RSYYLWRUGIASHT-UHFFFAOYSA-N -1 3 381.420 3.037 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cncc(Cl)c1 ZINC000479376791 567529453 /nfs/dbraw/zinc/52/94/53/567529453.db2.gz NFURCDBDBNBJGJ-LLVKDONJSA-N -1 3 390.267 3.085 20 0 GGADHM CSc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000504324211 567529740 /nfs/dbraw/zinc/52/97/40/567529740.db2.gz JPLOXGWCGYSBQS-VXGBXAGGSA-N -1 3 384.548 3.014 20 0 GGADHM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000571010292 567529933 /nfs/dbraw/zinc/52/99/33/567529933.db2.gz YVRGDYSNOPXUPW-ZDUSSCGKSA-N -1 3 394.534 3.177 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(F)cc1F ZINC000620624473 567531132 /nfs/dbraw/zinc/53/11/32/567531132.db2.gz FQSSESKNERLSMA-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000479408199 567533493 /nfs/dbraw/zinc/53/34/93/567533493.db2.gz MZRXDCXARAXMGF-FZMZJTMJSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000479413730 567533660 /nfs/dbraw/zinc/53/36/60/567533660.db2.gz VQRGTVYBEPZSLQ-RISCZKNCSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000479437463 567534217 /nfs/dbraw/zinc/53/42/17/567534217.db2.gz KOWLJBFFYQAZON-HZMBPMFUSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000479437469 567535221 /nfs/dbraw/zinc/53/52/21/567535221.db2.gz KOWLJBFFYQAZON-YGRLFVJLSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000479431253 567535237 /nfs/dbraw/zinc/53/52/37/567535237.db2.gz YIGMESLWRWWWOW-UWVGGRQHSA-N -1 3 382.345 3.383 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000438525423 567535356 /nfs/dbraw/zinc/53/53/56/567535356.db2.gz VDPQBZASRFCBOM-WCQYABFASA-N -1 3 378.416 3.157 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1cccc(Br)c1F ZINC000571080905 567535664 /nfs/dbraw/zinc/53/56/64/567535664.db2.gz LMUMLNNZJKRUQT-JTQLQIEISA-N -1 3 386.242 3.043 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cncc(Br)c1 ZINC000504509070 567537111 /nfs/dbraw/zinc/53/71/11/567537111.db2.gz IEUGIPLNTZWETM-CQSZACIVSA-N -1 3 383.267 3.036 20 0 GGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cccc(OC(F)(F)F)c1F ZINC000644167393 567537550 /nfs/dbraw/zinc/53/75/50/567537550.db2.gz LQQIAIFRPMZROU-LLVKDONJSA-N -1 3 375.343 3.343 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)COc3ccc(F)cc3Br)[n-]2)o1 ZINC000479470242 567537871 /nfs/dbraw/zinc/53/78/71/567537871.db2.gz YOWRESFZBMVFFJ-UHFFFAOYSA-N -1 3 395.188 3.292 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc(F)cc3Br)n2)o1 ZINC000479470242 567537878 /nfs/dbraw/zinc/53/78/78/567537878.db2.gz YOWRESFZBMVFFJ-UHFFFAOYSA-N -1 3 395.188 3.292 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)COc3ccc(F)cc3Br)n[n-]2)o1 ZINC000479470242 567537883 /nfs/dbraw/zinc/53/78/83/567537883.db2.gz YOWRESFZBMVFFJ-UHFFFAOYSA-N -1 3 395.188 3.292 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644177989 567538043 /nfs/dbraw/zinc/53/80/43/567538043.db2.gz VUHJVRZSUJUDJT-MRVPVSSYSA-N -1 3 382.335 3.369 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000644163303 567538063 /nfs/dbraw/zinc/53/80/63/567538063.db2.gz DHUOEICPXDVRPH-UHFFFAOYSA-N -1 3 384.376 3.010 20 0 GGADHM COC(=O)CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000479489335 567538792 /nfs/dbraw/zinc/53/87/92/567538792.db2.gz RZUQYQOTAXDZGC-ZDUSSCGKSA-N -1 3 387.910 3.244 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000620734474 567540581 /nfs/dbraw/zinc/54/05/81/567540581.db2.gz PLPPAXMRHWHCIN-QMMMGPOBSA-N -1 3 396.387 3.212 20 0 GGADHM CC(C)CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000504578459 567541486 /nfs/dbraw/zinc/54/14/86/567541486.db2.gz QPMISBQQIWGLJD-UHFFFAOYSA-N -1 3 378.947 3.107 20 0 GGADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C(C)(C)C ZINC000571167905 567542047 /nfs/dbraw/zinc/54/20/47/567542047.db2.gz GNWLXUVVSHILKP-UHFFFAOYSA-N -1 3 384.217 3.003 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000644230371 567542210 /nfs/dbraw/zinc/54/22/10/567542210.db2.gz MVXNOQIYUVSHIO-LBPRGKRZSA-N -1 3 378.416 3.278 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000551918798 567543728 /nfs/dbraw/zinc/54/37/28/567543728.db2.gz UHZMWEYOZUUJRG-UHFFFAOYSA-N -1 3 376.210 3.151 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)s1 ZINC000644230422 567543931 /nfs/dbraw/zinc/54/39/31/567543931.db2.gz RQYDMXBGNNRMQS-DGCLKSJQSA-N -1 3 394.509 3.439 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000479572733 567545236 /nfs/dbraw/zinc/54/52/36/567545236.db2.gz GWJVRZZCUAYQRZ-UHFFFAOYSA-N -1 3 377.388 3.058 20 0 GGADHM Cc1ccc(Br)cc1CN1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000571219330 567546360 /nfs/dbraw/zinc/54/63/60/567546360.db2.gz CUDUCQGSFHDVMN-SJORKVTESA-N -1 3 382.298 3.459 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Cl)cc(Cl)c1 ZINC000644279200 567546758 /nfs/dbraw/zinc/54/67/58/567546758.db2.gz QPTFPYNGLJTXJL-GXSJLCMTSA-N -1 3 378.199 3.118 20 0 GGADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cnn2c1OCCC2 ZINC000551965222 567546840 /nfs/dbraw/zinc/54/68/40/567546840.db2.gz FFOPREOEYUVEJQ-UHFFFAOYSA-N -1 3 379.804 3.229 20 0 GGADHM COC(=O)c1cnc(SCc2cc(OC)c(OC)cc2Br)[n-]1 ZINC000571238884 567547801 /nfs/dbraw/zinc/54/78/01/567547801.db2.gz ZJFWMEKMBQTBQV-UHFFFAOYSA-N -1 3 387.255 3.268 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000552005853 567549118 /nfs/dbraw/zinc/54/91/18/567549118.db2.gz APXHKINGENWFQB-GFCCVEGCSA-N -1 3 396.262 3.054 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)s1 ZINC000644342280 567549231 /nfs/dbraw/zinc/54/92/31/567549231.db2.gz QRHBKIHEBPHMKP-LLVKDONJSA-N -1 3 384.498 3.298 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000438821242 567549338 /nfs/dbraw/zinc/54/93/38/567549338.db2.gz UHROBWVMSZUJHR-UHFFFAOYSA-N -1 3 389.216 3.237 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1c(Cl)ccc2ccccc21 ZINC000438891125 567551972 /nfs/dbraw/zinc/55/19/72/567551972.db2.gz DCRHOEVNCXRKKZ-INIZCTEOSA-N -1 3 375.877 3.375 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CO)Cc1ccccc1 ZINC000438891807 567552139 /nfs/dbraw/zinc/55/21/39/567552139.db2.gz BCKPFDUIYOVZOQ-OAHLLOKOSA-N -1 3 379.865 3.277 20 0 GGADHM CO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000458547028 567552751 /nfs/dbraw/zinc/55/27/51/567552751.db2.gz HZLXCUVSAICCRG-CABCVRRESA-N -1 3 383.286 3.254 20 0 GGADHM Cn1c(=O)[n-]nc1SCc1ccc(I)cc1Cl ZINC000479699102 567553854 /nfs/dbraw/zinc/55/38/54/567553854.db2.gz HAPOIJBXKIDVCM-UHFFFAOYSA-N -1 3 381.626 3.071 20 0 GGADHM Cc1onc(-c2ccccc2Cl)c1C(=O)N=c1[nH][n-]cc1Br ZINC000552069267 567554569 /nfs/dbraw/zinc/55/45/69/567554569.db2.gz LWEIBNBFAWOVQE-UHFFFAOYSA-N -1 3 381.617 3.463 20 0 GGADHM CCOc1cc(CNCc2cccc(NS(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000552065102 567554870 /nfs/dbraw/zinc/55/48/70/567554870.db2.gz DXQIVSWCIKYFRS-UHFFFAOYSA-N -1 3 384.885 3.106 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1C(F)(F)F ZINC000552069586 567555505 /nfs/dbraw/zinc/55/55/05/567555505.db2.gz JHRAYUYHDFPFFG-SNVBAGLBSA-N -1 3 397.802 3.081 20 0 GGADHM COC(=O)c1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C)CC=CCC1 ZINC000595339351 567556829 /nfs/dbraw/zinc/55/68/29/567556829.db2.gz YAJVCUZWJOPJPG-HNNXBMFYSA-N -1 3 388.283 3.013 20 0 GGADHM CCSC1(C[N-]S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000595348721 567556913 /nfs/dbraw/zinc/55/69/13/567556913.db2.gz OFOIXSMNPSVJMN-UHFFFAOYSA-N -1 3 380.329 3.022 20 0 GGADHM CCSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000595351877 567557432 /nfs/dbraw/zinc/55/74/32/567557432.db2.gz XMFYCCSYEFGULY-LBPRGKRZSA-N -1 3 393.958 3.318 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1cc(Cl)ccc1Br ZINC000571380868 567557537 /nfs/dbraw/zinc/55/75/37/567557537.db2.gz KLFKTIZEFBWALI-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cncs1 ZINC000552090850 567557701 /nfs/dbraw/zinc/55/77/01/567557701.db2.gz VSJUMNXDQZTEEM-SECBINFHSA-N -1 3 380.322 3.079 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2cc(Br)ccc2C1 ZINC000505086972 567558300 /nfs/dbraw/zinc/55/83/00/567558300.db2.gz YYHZVHHLEGWMAR-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2cc(Br)ccc2C1 ZINC000505086972 567558304 /nfs/dbraw/zinc/55/83/04/567558304.db2.gz YYHZVHHLEGWMAR-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2cc(Br)ccc2C1 ZINC000505086972 567558305 /nfs/dbraw/zinc/55/83/05/567558305.db2.gz YYHZVHHLEGWMAR-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM CC(C)[C@H]1N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC12CCCC2 ZINC000571401714 567559228 /nfs/dbraw/zinc/55/92/28/567559228.db2.gz XOEIFWNOJYVDDB-OAHLLOKOSA-N -1 3 390.958 3.107 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc(F)cc2nn[n-]c21 ZINC000505114381 567559903 /nfs/dbraw/zinc/55/99/03/567559903.db2.gz PMXLEROTVNPUOY-VXNVDRBHSA-N -1 3 381.230 3.207 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc(F)cc2[n-]nnc21 ZINC000505114381 567559906 /nfs/dbraw/zinc/55/99/06/567559906.db2.gz PMXLEROTVNPUOY-VXNVDRBHSA-N -1 3 381.230 3.207 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc(F)cc2n[n-]nc21 ZINC000505114381 567559910 /nfs/dbraw/zinc/55/99/10/567559910.db2.gz PMXLEROTVNPUOY-VXNVDRBHSA-N -1 3 381.230 3.207 20 0 GGADHM CSc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000505115587 567559940 /nfs/dbraw/zinc/55/99/40/567559940.db2.gz WQCBFRMZTKYJOQ-UHFFFAOYSA-N -1 3 376.912 3.040 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](OC)C1CCCCC1 ZINC000595378289 567560523 /nfs/dbraw/zinc/56/05/23/567560523.db2.gz YWPSEHOQUYSXNE-CQSZACIVSA-N -1 3 389.901 3.000 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000571440429 567562550 /nfs/dbraw/zinc/56/25/50/567562550.db2.gz SJPQEHSNEMSUTD-HWPZZCPQSA-N -1 3 377.238 3.476 20 0 GGADHM CCSc1ccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000505148388 567562824 /nfs/dbraw/zinc/56/28/24/567562824.db2.gz IAQDUJZPKMFBTJ-GFCCVEGCSA-N -1 3 384.548 3.016 20 0 GGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000505140038 567563106 /nfs/dbraw/zinc/56/31/06/567563106.db2.gz CMPJWPUPJODXJN-CYBMUJFWSA-N -1 3 398.575 3.404 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000439060576 567563431 /nfs/dbraw/zinc/56/34/31/567563431.db2.gz ZHEJIQSGCBFANS-UHFFFAOYSA-N -1 3 375.211 3.076 20 0 GGADHM Cc1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)[n-]c(=O)n1 ZINC000505167888 567564284 /nfs/dbraw/zinc/56/42/84/567564284.db2.gz OAOSIGOMEGEXOA-UHFFFAOYSA-N -1 3 376.254 3.273 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc(F)cc2nn[n-]c21 ZINC000505184992 567564733 /nfs/dbraw/zinc/56/47/33/567564733.db2.gz NXODBLLFOPKLQP-WCQYABFASA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc(F)cc2[n-]nnc21 ZINC000505184992 567564735 /nfs/dbraw/zinc/56/47/35/567564735.db2.gz NXODBLLFOPKLQP-WCQYABFASA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc(F)cc2n[n-]nc21 ZINC000505184992 567564744 /nfs/dbraw/zinc/56/47/44/567564744.db2.gz NXODBLLFOPKLQP-WCQYABFASA-N -1 3 375.201 3.145 20 0 GGADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000479910576 567567810 /nfs/dbraw/zinc/56/78/10/567567810.db2.gz CUUXHMLTAHLOJU-CXAGYDPISA-N -1 3 385.917 3.247 20 0 GGADHM CCOc1cc(CN2CCc3nc(C)ncc3C2)cc(Br)c1[O-] ZINC000571522858 567568937 /nfs/dbraw/zinc/56/89/37/567568937.db2.gz VEOGZPYMLBDWHV-UHFFFAOYSA-N -1 3 378.270 3.210 20 0 GGADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1(CO)CCC1 ZINC000664470749 567569956 /nfs/dbraw/zinc/56/99/56/567569956.db2.gz GRYIWIDDVPYSGB-HNNXBMFYSA-N -1 3 385.302 3.141 20 0 GGADHM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000552232253 567570398 /nfs/dbraw/zinc/57/03/98/567570398.db2.gz IATWLTDXBJMJJL-UHFFFAOYSA-N -1 3 375.211 3.296 20 0 GGADHM C[C@H](c1ccccc1)[C@@H](O)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000664471097 567570957 /nfs/dbraw/zinc/57/09/57/567570957.db2.gz NHECFEOENMXZJZ-PXAZEXFGSA-N -1 3 393.281 3.119 20 0 GGADHM CCSCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000505352818 567571121 /nfs/dbraw/zinc/57/11/21/567571121.db2.gz WDKJBIOUFDBZSC-UHFFFAOYSA-N -1 3 391.534 3.167 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccc(C)o1 ZINC000479950418 567571186 /nfs/dbraw/zinc/57/11/86/567571186.db2.gz QWFBGKUDQXROMF-HNNXBMFYSA-N -1 3 387.885 3.447 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000479957169 567571197 /nfs/dbraw/zinc/57/11/97/567571197.db2.gz HQLUPRDMGOCOHB-QMTHXVAHSA-N -1 3 375.899 3.465 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000479957560 567571261 /nfs/dbraw/zinc/57/12/61/567571261.db2.gz NHEPRSHGRQOZIO-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000479957560 567571262 /nfs/dbraw/zinc/57/12/62/567571262.db2.gz NHEPRSHGRQOZIO-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000479957560 567571269 /nfs/dbraw/zinc/57/12/69/567571269.db2.gz NHEPRSHGRQOZIO-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2csc3c2CC[C@H](C)C3)ccc1F ZINC000552262705 567571332 /nfs/dbraw/zinc/57/13/32/567571332.db2.gz LYXKVAXWYHKTIQ-JTQLQIEISA-N -1 3 382.482 3.172 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1noc(C(F)(F)F)n1 ZINC000439204471 567571936 /nfs/dbraw/zinc/57/19/36/567571936.db2.gz ZVZPQGNMNBLVOF-UHFFFAOYSA-N -1 3 390.170 3.015 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000479957167 567571926 /nfs/dbraw/zinc/57/19/26/567571926.db2.gz HQLUPRDMGOCOHB-HZMBPMFUSA-N -1 3 375.899 3.465 20 0 GGADHM CC[C@H](C)[C@H](OC)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000479967686 567571978 /nfs/dbraw/zinc/57/19/78/567571978.db2.gz UKKHYMACJQRVCX-UFBFGSQYSA-N -1 3 385.237 3.373 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000479957170 567572026 /nfs/dbraw/zinc/57/20/26/567572026.db2.gz HQLUPRDMGOCOHB-YGRLFVJLSA-N -1 3 375.899 3.465 20 0 GGADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000479991158 567572573 /nfs/dbraw/zinc/57/25/73/567572573.db2.gz UKYOSAXZIGOCED-BONVTDFDSA-N -1 3 375.277 3.443 20 0 GGADHM CCCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552293666 567572620 /nfs/dbraw/zinc/57/26/20/567572620.db2.gz GGFSRWIZQXUTOU-LLVKDONJSA-N -1 3 381.325 3.214 20 0 GGADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000479991160 567572826 /nfs/dbraw/zinc/57/28/26/567572826.db2.gz UKYOSAXZIGOCED-MEBBXXQBSA-N -1 3 375.277 3.443 20 0 GGADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1[nH][n-]cc1Br ZINC000552288406 567573261 /nfs/dbraw/zinc/57/32/61/567573261.db2.gz UOYTWSGZRRCAJO-ZCFIWIBFSA-N -1 3 379.041 3.307 20 0 GGADHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000479991163 567573492 /nfs/dbraw/zinc/57/34/92/567573492.db2.gz UKYOSAXZIGOCED-ZUZCIYMTSA-N -1 3 375.277 3.443 20 0 GGADHM Cc1c(S(=O)(=O)[N-]CCCC(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000439228793 567573625 /nfs/dbraw/zinc/57/36/25/567573625.db2.gz IRGUMAILNOPWHA-UHFFFAOYSA-N -1 3 381.807 3.455 20 0 GGADHM CCCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552293667 567573645 /nfs/dbraw/zinc/57/36/45/567573645.db2.gz GGFSRWIZQXUTOU-NSHDSACASA-N -1 3 381.325 3.214 20 0 GGADHM CCn1cnnc1[N-]C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000552301022 567574830 /nfs/dbraw/zinc/57/48/30/567574830.db2.gz KIQPABUEOVBHKE-UHFFFAOYSA-N -1 3 384.284 3.498 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1ccc(C)o1 ZINC000480000133 567574980 /nfs/dbraw/zinc/57/49/80/567574980.db2.gz RDTJCWZEORNAGI-AWEZNQCLSA-N -1 3 388.283 3.407 20 0 GGADHM O=C(CCc1nccs1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439248801 567576066 /nfs/dbraw/zinc/57/60/66/567576066.db2.gz QXCZUWMNBIKXFQ-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM Cc1ccncc1C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439245250 567576738 /nfs/dbraw/zinc/57/67/38/567576738.db2.gz JAKUPDBUVIOYRS-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM COC(=O)c1cccc(Cl)c1CSc1[n-]c(=O)nc(C)c1C(=O)OC ZINC000505450200 567577119 /nfs/dbraw/zinc/57/71/19/567577119.db2.gz ZIBWGBRADGUCBA-UHFFFAOYSA-N -1 3 382.825 3.010 20 0 GGADHM CCn1cnnc1[N-]C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000552323173 567577592 /nfs/dbraw/zinc/57/75/92/567577592.db2.gz ZAJQQTBCSGKERD-UHFFFAOYSA-N -1 3 375.226 3.231 20 0 GGADHM COc1cc(CCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc(OC)c1O ZINC000621320165 567577840 /nfs/dbraw/zinc/57/78/40/567577840.db2.gz CSRXBKWQEBLZDM-UHFFFAOYSA-N -1 3 391.898 3.035 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccc(C)o1 ZINC000480066540 567579031 /nfs/dbraw/zinc/57/90/31/567579031.db2.gz HLCYXCAZMSBLTI-ZDUSSCGKSA-N -1 3 388.283 3.407 20 0 GGADHM O=C([O-])c1ccc(F)c2c1CN(C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000530169754 567579522 /nfs/dbraw/zinc/57/95/22/567579522.db2.gz UIPBATDEVDQCGS-QGZVFWFLSA-N -1 3 394.240 3.378 20 0 GGADHM COc1ccc(CN2C[C@H](CO)Cc3ccccc32)c(Br)c1[O-] ZINC000644834108 567580121 /nfs/dbraw/zinc/58/01/21/567580121.db2.gz MPWCLAYXEHCCGL-GFCCVEGCSA-N -1 3 378.266 3.335 20 0 GGADHM O=C([O-])CCN(Cc1ccc(Br)c(F)c1F)C1CCOCC1 ZINC000530215406 567584716 /nfs/dbraw/zinc/58/47/16/567584716.db2.gz WUQOSUJXRFOBJP-UHFFFAOYSA-N -1 3 378.213 3.183 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000552387740 567585716 /nfs/dbraw/zinc/58/57/16/567585716.db2.gz XIYXEOYFRQKDIE-ZDUSSCGKSA-N -1 3 384.657 3.200 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)cnn1-c1ccc(Cl)cc1 ZINC000480189675 567586104 /nfs/dbraw/zinc/58/61/04/567586104.db2.gz BSYDACGODHFXAA-UHFFFAOYSA-N -1 3 378.841 3.044 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000644871558 567586501 /nfs/dbraw/zinc/58/65/01/567586501.db2.gz ZBDBZYLMIAAHSB-UHFFFAOYSA-N -1 3 378.185 3.225 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000530264461 567587627 /nfs/dbraw/zinc/58/76/27/567587627.db2.gz CVCWCAQETXRHJE-NKWVEPMBSA-N -1 3 391.088 3.160 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000505635761 567588400 /nfs/dbraw/zinc/58/84/00/567588400.db2.gz OLJJTTBCFCNIPZ-VXGBXAGGSA-N -1 3 378.947 3.011 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)CCCSC)nc(=O)c2c1C ZINC000439483414 567588931 /nfs/dbraw/zinc/58/89/31/567588931.db2.gz JDUOUAOQTQGFGH-NSHDSACASA-N -1 3 383.539 3.216 20 0 GGADHM COc1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c([O-])c1 ZINC000552415672 567589067 /nfs/dbraw/zinc/58/90/67/567589067.db2.gz CXUDJILNRGFLRK-MRXNPFEDSA-N -1 3 377.238 3.439 20 0 GGADHM CC[C@@H](NCc1cc(Br)cc(Br)c1OC)C(=O)[O-] ZINC000571800104 567589638 /nfs/dbraw/zinc/58/96/38/567589638.db2.gz RLGTUOIPOALETE-SNVBAGLBSA-N -1 3 381.064 3.173 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(=O)[nH]1 ZINC000480219313 567589923 /nfs/dbraw/zinc/58/99/23/567589923.db2.gz FGZSQTSPJCACPM-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM Cc1sc2ncn(CCC(=O)Nc3c([O-])cccc3Cl)c(=O)c2c1C ZINC000552433572 567589988 /nfs/dbraw/zinc/58/99/88/567589988.db2.gz PWKIALTZOHSVPA-UHFFFAOYSA-N -1 3 377.853 3.463 20 0 GGADHM C[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CO1 ZINC000439501559 567590129 /nfs/dbraw/zinc/59/01/29/567590129.db2.gz SZROUVFKVHZGIB-DTWKUNHWSA-N -1 3 384.661 3.278 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1CCC[C@H](O)C1 ZINC000439500364 567590191 /nfs/dbraw/zinc/59/01/91/567590191.db2.gz QLJOSQQBFQLDSQ-ONGXEEELSA-N -1 3 398.688 3.404 20 0 GGADHM COc1cc(C(=O)N2CCN(c3cccc(Br)c3)CC2)ccc1[O-] ZINC000552439997 567590243 /nfs/dbraw/zinc/59/02/43/567590243.db2.gz INTZXSCORTZOHM-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM O=C(Cc1cncc([O-])c1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000571819732 567590690 /nfs/dbraw/zinc/59/06/90/567590690.db2.gz ISOGMULCCOFLRC-JOCQHMNTSA-N -1 3 379.229 3.294 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1CCC[C@@H](O)C1 ZINC000439500361 567590849 /nfs/dbraw/zinc/59/08/49/567590849.db2.gz QLJOSQQBFQLDSQ-GXSJLCMTSA-N -1 3 398.688 3.404 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@H](CO)c1ccccc1Cl ZINC000552463226 567591695 /nfs/dbraw/zinc/59/16/95/567591695.db2.gz DRTCHSDPOOYHGI-GFCCVEGCSA-N -1 3 398.684 3.243 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000530317423 567592068 /nfs/dbraw/zinc/59/20/68/567592068.db2.gz PQHYSRKELVGIHL-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)cc1 ZINC000571824834 567592788 /nfs/dbraw/zinc/59/27/88/567592788.db2.gz AODWSGUQGUTZIO-UHFFFAOYSA-N -1 3 383.445 3.437 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(CCSC)cc1 ZINC000439552979 567593477 /nfs/dbraw/zinc/59/34/77/567593477.db2.gz WPJBHEBHEHNBPS-UHFFFAOYSA-N -1 3 378.475 3.017 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000505753946 567594534 /nfs/dbraw/zinc/59/45/34/567594534.db2.gz ATIKPYWTUFPCKM-NVGCLXPQSA-N -1 3 398.937 3.120 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000505753948 567595490 /nfs/dbraw/zinc/59/54/90/567595490.db2.gz ATIKPYWTUFPCKM-PRXAMGSTSA-N -1 3 398.937 3.120 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000439651057 567597477 /nfs/dbraw/zinc/59/74/77/567597477.db2.gz RGXBISBXXOXXOI-SMDDNHRTSA-N -1 3 380.432 3.084 20 0 GGADHM Cc1nc([N-]C(=O)c2csc(-c3cc(Br)cs3)n2)nn1C ZINC000552596819 567597610 /nfs/dbraw/zinc/59/76/10/567597610.db2.gz VCTDRZXASSJICY-UHFFFAOYSA-N -1 3 384.284 3.323 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C(C)(C)CC)cc1 ZINC000530379372 567597935 /nfs/dbraw/zinc/59/79/35/567597935.db2.gz LOQCBYAXYLSAHU-UHFFFAOYSA-N -1 3 376.544 3.038 20 0 GGADHM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000530422385 567599054 /nfs/dbraw/zinc/59/90/54/567599054.db2.gz RKMSOHMGSHNUOQ-BDAKNGLRSA-N -1 3 395.232 3.317 20 0 GGADHM O=C([O-])C1(CNCc2cc(Cl)ccc2I)CCC1 ZINC000596022840 567599373 /nfs/dbraw/zinc/59/93/73/567599373.db2.gz XAMMCRDCUGMVNY-UHFFFAOYSA-N -1 3 379.625 3.289 20 0 GGADHM CC(C)[C@H](CNCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596022928 567599405 /nfs/dbraw/zinc/59/94/05/567599405.db2.gz ZOPPILSAZPFGRE-NSHDSACASA-N -1 3 381.641 3.391 20 0 GGADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000530422386 567599669 /nfs/dbraw/zinc/59/96/69/567599669.db2.gz RKMSOHMGSHNUOQ-DTWKUNHWSA-N -1 3 395.232 3.317 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)C(F)(F)F ZINC000645029333 567600581 /nfs/dbraw/zinc/60/05/81/567600581.db2.gz RKGQMMKMJISKOI-SCSAIBSYSA-N -1 3 391.546 3.247 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000480406538 567601029 /nfs/dbraw/zinc/60/10/29/567601029.db2.gz DWPMXAACKVTBJN-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000530432850 567601188 /nfs/dbraw/zinc/60/11/88/567601188.db2.gz BJCNYONUZHRLEP-AWEZNQCLSA-N -1 3 380.897 3.030 20 0 GGADHM C[C@H]1C(=O)CC[C@H]1CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000530474211 567604113 /nfs/dbraw/zinc/60/41/13/567604113.db2.gz CIGQMIYJDWWKSI-ZJUUUORDSA-N -1 3 394.244 3.344 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(Br)c1 ZINC000645094057 567604329 /nfs/dbraw/zinc/60/43/29/567604329.db2.gz AIDFKHMBAMXJHJ-ZETCQYMHSA-N -1 3 377.235 3.233 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480440389 567604560 /nfs/dbraw/zinc/60/45/60/567604560.db2.gz UOHYGPCKZGSEAL-UHFFFAOYSA-N -1 3 375.418 3.012 20 0 GGADHM Cc1cccc(C)c1CS(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000645080431 567604616 /nfs/dbraw/zinc/60/46/16/567604616.db2.gz OKQCHRHYMJXRTR-UHFFFAOYSA-N -1 3 384.295 3.391 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC2(C)CC2)c(Br)c1 ZINC000480432033 567604816 /nfs/dbraw/zinc/60/48/16/567604816.db2.gz ATRZCEHJDXSRCO-UHFFFAOYSA-N -1 3 390.299 3.094 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1ncnn1-c1ccccc1 ZINC000480436459 567604912 /nfs/dbraw/zinc/60/49/12/567604912.db2.gz IPBFDTVBMISCLS-UHFFFAOYSA-N -1 3 397.287 3.194 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)ccn1 ZINC000645098315 567604998 /nfs/dbraw/zinc/60/49/98/567604998.db2.gz MSPITZRAGKAGCM-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(Br)c2)s1 ZINC000645094397 567605101 /nfs/dbraw/zinc/60/51/01/567605101.db2.gz JRNJCVXSLGMENY-ZETCQYMHSA-N -1 3 379.276 3.393 20 0 GGADHM COc1cc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)ccc1[O-] ZINC000480447576 567606082 /nfs/dbraw/zinc/60/60/82/567606082.db2.gz KRZFODJCUCNECA-RDJZCZTQSA-N -1 3 382.243 3.438 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000506034285 567607681 /nfs/dbraw/zinc/60/76/81/567607681.db2.gz AIGDDZXJOWLCKY-VIFPVBQESA-N -1 3 381.841 3.050 20 0 GGADHM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552780504 567607756 /nfs/dbraw/zinc/60/77/56/567607756.db2.gz AHNPZPXOQAHZCX-NSHDSACASA-N -1 3 382.869 3.375 20 0 GGADHM CCO[C@H]1C[C@@](O)(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1(C)C ZINC000530510346 567608591 /nfs/dbraw/zinc/60/85/91/567608591.db2.gz UDRHWFSTWPGZEU-YVEFUNNKSA-N -1 3 383.901 3.088 20 0 GGADHM O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cc([O-])ccc1Cl ZINC000572037097 567609006 /nfs/dbraw/zinc/60/90/06/567609006.db2.gz SPMWVUOQZMLSER-UHFFFAOYSA-N -1 3 388.272 3.293 20 0 GGADHM O=S(=O)([N-]CCN=c1[nH]oc2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000572057759 567609580 /nfs/dbraw/zinc/60/95/80/567609580.db2.gz JJWMIHOLLJIEPJ-UHFFFAOYSA-N -1 3 392.289 3.008 20 0 GGADHM O=S(=O)(NCCCNCc1cccc([O-])c1Cl)c1ccccc1Cl ZINC000645178115 567610024 /nfs/dbraw/zinc/61/00/24/567610024.db2.gz FFMUZGVKTILSMK-UHFFFAOYSA-N -1 3 389.304 3.157 20 0 GGADHM COc1cccc2c1[C@@H](C(=O)N=c1cc3ccc(Br)cn3[n-]1)CC2 ZINC000506112459 567610524 /nfs/dbraw/zinc/61/05/24/567610524.db2.gz MDCYCDPMQJXLPI-AWEZNQCLSA-N -1 3 386.249 3.196 20 0 GGADHM O=C(NCc1cc(Br)ccc1F)c1c[n-]nc1-c1ccccn1 ZINC000506120764 567610631 /nfs/dbraw/zinc/61/06/31/567610631.db2.gz DHXUHHRSRDKTNM-UHFFFAOYSA-N -1 3 375.201 3.303 20 0 GGADHM CN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1Cc1ccccc1 ZINC000552804977 567610851 /nfs/dbraw/zinc/61/08/51/567610851.db2.gz ULVMNJLMKQHEII-INIZCTEOSA-N -1 3 389.293 3.154 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000440017269 567610988 /nfs/dbraw/zinc/61/09/88/567610988.db2.gz YHEHZUALIJLKAN-GWCFXTLKSA-N -1 3 398.472 3.042 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000440017271 567611028 /nfs/dbraw/zinc/61/10/28/567611028.db2.gz YHEHZUALIJLKAN-MFKMUULPSA-N -1 3 398.472 3.042 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000440015078 567611130 /nfs/dbraw/zinc/61/11/30/567611130.db2.gz XSKWQABYSDZHMX-AWEZNQCLSA-N -1 3 378.416 3.299 20 0 GGADHM CC(C)(NC(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000552801116 567611105 /nfs/dbraw/zinc/61/11/05/567611105.db2.gz VQVUPHSOEVXDLS-UHFFFAOYSA-N -1 3 396.228 3.051 20 0 GGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000459289192 567611371 /nfs/dbraw/zinc/61/13/71/567611371.db2.gz AAVXWPRVUPEECB-RDJZCZTQSA-N -1 3 380.275 3.457 20 0 GGADHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc([O-])c1Br ZINC000459280578 567611598 /nfs/dbraw/zinc/61/15/98/567611598.db2.gz NQPOSZDJUQPKHO-HNNXBMFYSA-N -1 3 376.250 3.255 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1CN1CCOCC1 ZINC000530572240 567611807 /nfs/dbraw/zinc/61/18/07/567611807.db2.gz CODQWKNPAQWJHS-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM O=c1cc(CN2CCO[C@H](c3ccc(Br)cc3)C2)nc(C2CC2)[n-]1 ZINC000459292988 567612733 /nfs/dbraw/zinc/61/27/33/567612733.db2.gz DYHAYKORBCAYKC-INIZCTEOSA-N -1 3 390.281 3.396 20 0 GGADHM CC(C)[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000506175178 567612863 /nfs/dbraw/zinc/61/28/63/567612863.db2.gz LGDYXYHMOZLQDE-KRWDZBQOSA-N -1 3 384.498 3.069 20 0 GGADHM CC(C)[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000506175179 567613295 /nfs/dbraw/zinc/61/32/95/567613295.db2.gz LGDYXYHMOZLQDE-QGZVFWFLSA-N -1 3 384.498 3.069 20 0 GGADHM O=c1cc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)nc(C2CC2)[n-]1 ZINC000459293418 567613719 /nfs/dbraw/zinc/61/37/19/567613719.db2.gz FQGGAJITZWMKMZ-UHFFFAOYSA-N -1 3 380.279 3.084 20 0 GGADHM CCOC(=O)[C@H]1CCCN(Cc2cc(Br)c([O-])c(OCC)c2)C1 ZINC000459325990 567614220 /nfs/dbraw/zinc/61/42/20/567614220.db2.gz MMCLMVNLRHFXOW-ZDUSSCGKSA-N -1 3 386.286 3.329 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1F ZINC000506201579 567614613 /nfs/dbraw/zinc/61/46/13/567614613.db2.gz COIHIOALWYOGMX-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000530614574 567615112 /nfs/dbraw/zinc/61/51/12/567615112.db2.gz OMNHTOHLKFLVKP-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM Cc1cc(C(=O)N2CCN(Cc3cccc([O-])c3Br)CC2)c(C)o1 ZINC000459322474 567615226 /nfs/dbraw/zinc/61/52/26/567615226.db2.gz HHCZEFKSPWJTPE-UHFFFAOYSA-N -1 3 393.281 3.323 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000530614573 567615197 /nfs/dbraw/zinc/61/51/97/567615197.db2.gz OMNHTOHLKFLVKP-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083180 567615651 /nfs/dbraw/zinc/61/56/51/567615651.db2.gz SLWSNBGOYPSIIX-NEPJUHHUSA-N -1 3 382.423 3.243 20 0 GGADHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083182 567615946 /nfs/dbraw/zinc/61/59/46/567615946.db2.gz SLWSNBGOYPSIIX-RYUDHWBXSA-N -1 3 382.423 3.243 20 0 GGADHM Cc1nc(CN2CCN(Cc3cccc([O-])c3Br)CC2)oc1C ZINC000459349374 567616256 /nfs/dbraw/zinc/61/62/56/567616256.db2.gz ZTNQSLSIPRUTCK-UHFFFAOYSA-N -1 3 380.286 3.077 20 0 GGADHM C[C@]1(c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000530648369 567616587 /nfs/dbraw/zinc/61/65/87/567616587.db2.gz DMFXLSQLAOVFNV-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM CS(=O)(=O)CCc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459353369 567616880 /nfs/dbraw/zinc/61/68/80/567616880.db2.gz FQLIAGKEWBMCPM-UHFFFAOYSA-N -1 3 384.295 3.354 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)Oc1ccccc1 ZINC000506227981 567616932 /nfs/dbraw/zinc/61/69/32/567616932.db2.gz RPPJQRAPTSBNKJ-LLVKDONJSA-N -1 3 388.258 3.334 20 0 GGADHM [O-]c1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1Br ZINC000459340469 567617019 /nfs/dbraw/zinc/61/70/19/567617019.db2.gz VGIUOAQSORXPMU-CYBMUJFWSA-N -1 3 377.286 3.072 20 0 GGADHM CC(C)(C)CCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552945456 567617479 /nfs/dbraw/zinc/61/74/79/567617479.db2.gz RESLVZSYYFKXMW-UHFFFAOYSA-N -1 3 381.325 3.214 20 0 GGADHM COc1ccc(CN(CCO)Cc2cccc([O-])c2Br)c(OC)c1 ZINC000459358863 567618193 /nfs/dbraw/zinc/61/81/93/567618193.db2.gz XHOUXOMXGYTGOO-UHFFFAOYSA-N -1 3 396.281 3.166 20 0 GGADHM O=C(c1n[n-]c(-c2ccccc2)c1Br)N1CCOc2ccncc21 ZINC000530692252 567619270 /nfs/dbraw/zinc/61/92/70/567619270.db2.gz BHBJZNSGYGJZHY-UHFFFAOYSA-N -1 3 385.221 3.273 20 0 GGADHM O=C(c1[n-]nc(-c2ccccc2)c1Br)N1CCOc2ccncc21 ZINC000530692252 567619273 /nfs/dbraw/zinc/61/92/73/567619273.db2.gz BHBJZNSGYGJZHY-UHFFFAOYSA-N -1 3 385.221 3.273 20 0 GGADHM [O-]c1cccc(CNCc2ccccc2N2CCOCC2)c1Br ZINC000459397693 567620185 /nfs/dbraw/zinc/62/01/85/567620185.db2.gz SIWURZAYSRTFEO-UHFFFAOYSA-N -1 3 377.282 3.281 20 0 GGADHM O=S(=O)(CCCNCc1cccc([O-])c1Br)c1ccccc1 ZINC000459384060 567620397 /nfs/dbraw/zinc/62/03/97/567620397.db2.gz CIXHQRFOTZXTTA-UHFFFAOYSA-N -1 3 384.295 3.108 20 0 GGADHM [O-]c1cccc(CNC2CCN(Cc3ccncc3)CC2)c1Br ZINC000459395059 567620959 /nfs/dbraw/zinc/62/09/59/567620959.db2.gz TWXFIJAHXMSBJH-UHFFFAOYSA-N -1 3 376.298 3.304 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1ccc(Br)c(Cl)c1 ZINC000572214114 567621129 /nfs/dbraw/zinc/62/11/29/567621129.db2.gz QVUVGYGLPCBBEC-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000480692402 567621585 /nfs/dbraw/zinc/62/15/85/567621585.db2.gz YWAJEAZHEQMFJZ-INIZCTEOSA-N -1 3 375.918 3.204 20 0 GGADHM [O-]c1cccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1Br ZINC000459406387 567622595 /nfs/dbraw/zinc/62/25/95/567622595.db2.gz CYDQHUFONWZBBN-CZUORRHYSA-N -1 3 386.236 3.482 20 0 GGADHM CN(C)C(=O)c1cccc(CCNCc2cccc([O-])c2Br)c1 ZINC000459416846 567622700 /nfs/dbraw/zinc/62/27/00/567622700.db2.gz SUKNZBGEUXVOAW-UHFFFAOYSA-N -1 3 377.282 3.189 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000480723966 567623348 /nfs/dbraw/zinc/62/33/48/567623348.db2.gz UFRZLHDFRKFDAA-NVXWUHKLSA-N -1 3 385.844 3.296 20 0 GGADHM CC(C)[C@H](C(=O)Nc1cc(Br)ccc1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000530777715 567623368 /nfs/dbraw/zinc/62/33/68/567623368.db2.gz OWCYBTCKECJYTP-XHBSWPGZSA-N -1 3 385.302 3.227 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000480723965 567623965 /nfs/dbraw/zinc/62/39/65/567623965.db2.gz UFRZLHDFRKFDAA-DOTOQJQBSA-N -1 3 385.844 3.296 20 0 GGADHM COc1cc(OC)cc(OCCNCc2cccc([O-])c2Br)c1 ZINC000459437462 567624263 /nfs/dbraw/zinc/62/42/63/567624263.db2.gz ROJQHQMHHHTABM-UHFFFAOYSA-N -1 3 382.254 3.341 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CCC=C(C)C)c(OC)cc1Br ZINC000480727621 567624822 /nfs/dbraw/zinc/62/48/22/567624822.db2.gz DCFKDGNDJUQINF-UHFFFAOYSA-N -1 3 378.288 3.101 20 0 GGADHM O=C(Cc1ccccc1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000506431553 567624951 /nfs/dbraw/zinc/62/49/51/567624951.db2.gz HMNHQDZUGVOKQI-UHFFFAOYSA-N -1 3 389.293 3.042 20 0 GGADHM O=C(C1CCCCC1)N1CC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000459444184 567625694 /nfs/dbraw/zinc/62/56/94/567625694.db2.gz REMHBHSPEKDPNI-OAHLLOKOSA-N -1 3 381.314 3.426 20 0 GGADHM CC(=O)N1CCC(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000440394113 567625696 /nfs/dbraw/zinc/62/56/96/567625696.db2.gz TXLJVESFZASYIO-UHFFFAOYSA-N -1 3 380.897 3.030 20 0 GGADHM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1c(Cl)ccc2ccccc21 ZINC000440382628 567625889 /nfs/dbraw/zinc/62/58/89/567625889.db2.gz NVJUJNGKBCKHQQ-OAHLLOKOSA-N -1 3 383.897 3.357 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000480745611 567625907 /nfs/dbraw/zinc/62/59/07/567625907.db2.gz CPEPWXVJHMJDAI-GXTWGEPZSA-N -1 3 383.466 3.288 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)n1 ZINC000645449638 567626084 /nfs/dbraw/zinc/62/60/84/567626084.db2.gz LAZQMAZSACRNOA-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000480745615 567626302 /nfs/dbraw/zinc/62/63/02/567626302.db2.gz CPEPWXVJHMJDAI-TZMCWYRMSA-N -1 3 383.466 3.288 20 0 GGADHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440412548 567626333 /nfs/dbraw/zinc/62/63/33/567626333.db2.gz GWNGMDLAESCIBA-OAHLLOKOSA-N -1 3 376.869 3.207 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)cc1Cl ZINC000480747360 567627383 /nfs/dbraw/zinc/62/73/83/567627383.db2.gz SXKWWFBTJIGSCI-JTQLQIEISA-N -1 3 398.308 3.401 20 0 GGADHM COC(=O)CC1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000530857133 567627890 /nfs/dbraw/zinc/62/78/90/567627890.db2.gz GXUWZMFTRJYJKA-UHFFFAOYSA-N -1 3 379.400 3.250 20 0 GGADHM COCCn1cc2c(n1)[C@@H](NCc1cccc([O-])c1Br)CCC2 ZINC000459478036 567627927 /nfs/dbraw/zinc/62/79/27/567627927.db2.gz HBHNHNKZWMNXHZ-AWEZNQCLSA-N -1 3 380.286 3.165 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000621981160 567628327 /nfs/dbraw/zinc/62/83/27/567628327.db2.gz FWVYHCNCJWNBAB-AWEZNQCLSA-N -1 3 394.244 3.406 20 0 GGADHM COCC(=O)N1CCc2c1cccc2NCc1cccc([O-])c1Br ZINC000459492906 567628900 /nfs/dbraw/zinc/62/89/00/567628900.db2.gz XHUSNYKFYAJCOW-UHFFFAOYSA-N -1 3 391.265 3.302 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3cccc([O-])c3Br)CC2)cc1 ZINC000459488863 567628998 /nfs/dbraw/zinc/62/89/98/567628998.db2.gz VZFMXMVAWIHETR-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(OC(F)F)c1 ZINC000645471847 567629143 /nfs/dbraw/zinc/62/91/43/567629143.db2.gz DVDSLHWSLLKUPV-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM C[C@@H](c1ccccc1)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000553139156 567629468 /nfs/dbraw/zinc/62/94/68/567629468.db2.gz CRGBPKIREKCZGZ-LBPRGKRZSA-N -1 3 398.937 3.432 20 0 GGADHM COc1ccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c([O-])c1 ZINC000440482983 567629329 /nfs/dbraw/zinc/62/93/29/567629329.db2.gz XGOGLTXWUROXKZ-NSHDSACASA-N -1 3 380.238 3.361 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1ccc(Br)cc1 ZINC000530898134 567629368 /nfs/dbraw/zinc/62/93/68/567629368.db2.gz KNJBYJPVDDHEJJ-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1ccc(Br)cc1 ZINC000530898134 567629378 /nfs/dbraw/zinc/62/93/78/567629378.db2.gz KNJBYJPVDDHEJJ-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCn1cc([C@H]2OCCC[C@@H]2NCc2cccc([O-])c2Br)cn1 ZINC000459487381 567629727 /nfs/dbraw/zinc/62/97/27/567629727.db2.gz MKNSVLSHEPAJJM-WMLDXEAASA-N -1 3 380.286 3.381 20 0 GGADHM COc1ccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c([O-])c1 ZINC000440482981 567630262 /nfs/dbraw/zinc/63/02/62/567630262.db2.gz XGOGLTXWUROXKZ-LLVKDONJSA-N -1 3 380.238 3.361 20 0 GGADHM C[C@@H](Cc1ccncc1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000530911787 567630742 /nfs/dbraw/zinc/63/07/42/567630742.db2.gz KGGJFUNFEXSGQV-NSHDSACASA-N -1 3 386.249 3.047 20 0 GGADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1ccccc1 ZINC000480785493 567630887 /nfs/dbraw/zinc/63/08/87/567630887.db2.gz IEBIREUNMLPPRH-SCLBCKFNSA-N -1 3 385.888 3.387 20 0 GGADHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000480782840 567631542 /nfs/dbraw/zinc/63/15/42/567631542.db2.gz YLNXZBZTKAYIOO-FZKQIMNGSA-N -1 3 385.888 3.387 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)[C@@H]2CCCO[C@H]21 ZINC000572333046 567631609 /nfs/dbraw/zinc/63/16/09/567631609.db2.gz VGHMXTDBKFTQPW-ZLKJLUDKSA-N -1 3 392.290 3.070 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)s1 ZINC000645488522 567632113 /nfs/dbraw/zinc/63/21/13/567632113.db2.gz DFYMZBQHGIRNPC-UHFFFAOYSA-N -1 3 386.804 3.482 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)s1 ZINC000645488886 567632347 /nfs/dbraw/zinc/63/23/47/567632347.db2.gz PJLDJDASWZQRCY-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000506591461 567632409 /nfs/dbraw/zinc/63/24/09/567632409.db2.gz BPYIWHLLFODLPC-UHFFFAOYSA-N -1 3 398.278 3.356 20 0 GGADHM CSc1cc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)ccn1 ZINC000572349943 567632551 /nfs/dbraw/zinc/63/25/51/567632551.db2.gz JCMAVXMFWRMOTM-UHFFFAOYSA-N -1 3 396.387 3.320 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000665646576 567632582 /nfs/dbraw/zinc/63/25/82/567632582.db2.gz YEOKJKKWDANXJL-DZGCQCFKSA-N -1 3 398.937 3.132 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(Cl)c(F)c2)c1 ZINC000572348781 567632936 /nfs/dbraw/zinc/63/29/36/567632936.db2.gz DMGXKEAUQOGKFB-UHFFFAOYSA-N -1 3 386.832 3.177 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000622041833 567633338 /nfs/dbraw/zinc/63/33/38/567633338.db2.gz KCNZIMDOBBSOAX-JTQLQIEISA-N -1 3 388.262 3.035 20 0 GGADHM Cc1ccc(CN2CC[C@H](NCc3cccc([O-])c3Br)C2=O)cc1 ZINC000459527903 567633681 /nfs/dbraw/zinc/63/36/81/567633681.db2.gz QMCXRFSHADBBKM-INIZCTEOSA-N -1 3 389.293 3.354 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2nccc(C)n2)c(Cl)c1Cl ZINC000622041683 567633582 /nfs/dbraw/zinc/63/35/82/567633582.db2.gz GYOPAUSFBONNBT-VIFPVBQESA-N -1 3 376.265 3.140 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000622043336 567633630 /nfs/dbraw/zinc/63/36/30/567633630.db2.gz ZAJSKQNJYWUBQP-VIFPVBQESA-N -1 3 379.791 3.497 20 0 GGADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000553195264 567633743 /nfs/dbraw/zinc/63/37/43/567633743.db2.gz MPZYGKHSXDWFCJ-UHFFFAOYSA-N -1 3 381.223 3.393 20 0 GGADHM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000572364138 567633868 /nfs/dbraw/zinc/63/38/68/567633868.db2.gz UXELLOKEZPBSFW-QHCPKHFHSA-N -1 3 387.910 3.336 20 0 GGADHM O=C([N-]c1ncccc1Cl)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000480828178 567634160 /nfs/dbraw/zinc/63/41/60/567634160.db2.gz JALWLELWAZALSN-UHFFFAOYSA-N -1 3 385.898 3.223 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2)s1 ZINC000480826931 567634235 /nfs/dbraw/zinc/63/42/35/567634235.db2.gz VNTALPAUSDSGLG-UHFFFAOYSA-N -1 3 390.328 3.044 20 0 GGADHM O=C(NC[C@H]1CCCN(Cc2cccc([O-])c2Br)C1)c1ccco1 ZINC000459532922 567634227 /nfs/dbraw/zinc/63/42/27/567634227.db2.gz DTVXOLGHIGVYPN-CYBMUJFWSA-N -1 3 393.281 3.390 20 0 GGADHM CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2cccc([O-])c2Br)C1 ZINC000459537604 567634277 /nfs/dbraw/zinc/63/42/77/567634277.db2.gz ROEIFFSYCGBWPB-AAEUAGOBSA-N -1 3 395.219 3.186 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c(=O)[n-]1 ZINC000530982109 567634624 /nfs/dbraw/zinc/63/46/24/567634624.db2.gz YYHTXUOGWROADU-INIZCTEOSA-N -1 3 390.281 3.468 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(CSC)cc1)c1ccccc1 ZINC000506634449 567635711 /nfs/dbraw/zinc/63/57/11/567635711.db2.gz SFZWJLMGXVIKTF-QGZVFWFLSA-N -1 3 379.503 3.248 20 0 GGADHM CC(C)(C)OC(=O)CN[C@@]1(C)CCN(Cc2cccc([O-])c2Br)C1 ZINC000459550292 567635829 /nfs/dbraw/zinc/63/58/29/567635829.db2.gz IAARDPZIKQLHHZ-SFHVURJKSA-N -1 3 399.329 3.050 20 0 GGADHM COC[C@]1(CNCc2cccc([O-])c2Br)OCCc2ccccc21 ZINC000459556525 567636349 /nfs/dbraw/zinc/63/63/49/567636349.db2.gz BLAJRPQSUULREX-IBGZPJMESA-N -1 3 392.293 3.359 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c(Cl)c1 ZINC000572400306 567636429 /nfs/dbraw/zinc/63/64/29/567636429.db2.gz BREKVNHCQZINMM-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM CCCN(CCN1CCN(CC)CC1)Cc1cccc([O-])c1Br ZINC000459564141 567637269 /nfs/dbraw/zinc/63/72/69/567637269.db2.gz DJUIKSKELKQOQQ-UHFFFAOYSA-N -1 3 384.362 3.004 20 0 GGADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000553238750 567638059 /nfs/dbraw/zinc/63/80/59/567638059.db2.gz IKOYSHYHPBEYES-BXKDBHETSA-N -1 3 382.707 3.196 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1Cl ZINC000506677629 567638497 /nfs/dbraw/zinc/63/84/97/567638497.db2.gz WAPAWCOJSNDIQT-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)c1cccc(Br)c1[O-] ZINC000531042243 567638745 /nfs/dbraw/zinc/63/87/45/567638745.db2.gz OXFJNVXMZNSPMH-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(C)(C)O ZINC000480884215 567638876 /nfs/dbraw/zinc/63/88/76/567638876.db2.gz SJJFPJQAFUMXMK-LBPRGKRZSA-N -1 3 384.723 3.176 20 0 GGADHM [O-]c1cccc(CNCc2ccncc2OC[C@H]2CCOC2)c1Br ZINC000459571632 567639002 /nfs/dbraw/zinc/63/90/02/567639002.db2.gz RZKSNTDDPTVTOQ-ZDUSSCGKSA-N -1 3 393.281 3.255 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(Br)cn1 ZINC000480896987 567640088 /nfs/dbraw/zinc/64/00/88/567640088.db2.gz KJJDTJGNIVYKCD-ZDUSSCGKSA-N -1 3 389.315 3.004 20 0 GGADHM CCCC1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000553281131 567640629 /nfs/dbraw/zinc/64/06/29/567640629.db2.gz BCBWUYHZLVIYII-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM CC1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000553268639 567640898 /nfs/dbraw/zinc/64/08/98/567640898.db2.gz SRWUZAVESUCCKV-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H]2CCO[C@@H]21 ZINC000645561474 567641134 /nfs/dbraw/zinc/64/11/34/567641134.db2.gz RAPIHKVZGUWVLH-WQAKAFBOSA-N -1 3 399.818 3.330 20 0 GGADHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645558313 567641219 /nfs/dbraw/zinc/64/12/19/567641219.db2.gz QOAKDIOJUFLPQR-LBPRGKRZSA-N -1 3 375.796 3.068 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CN1c1ccccc1 ZINC000553300377 567641821 /nfs/dbraw/zinc/64/18/21/567641821.db2.gz HQLHHRXKOYHWKJ-NSHDSACASA-N -1 3 385.272 3.077 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)s1 ZINC000645566471 567642227 /nfs/dbraw/zinc/64/22/27/567642227.db2.gz LXMULWARPLUVEC-UHFFFAOYSA-N -1 3 386.804 3.482 20 0 GGADHM CC(C)c1ccc([C@@H](N)C[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000440739134 567642301 /nfs/dbraw/zinc/64/23/01/567642301.db2.gz AJKZNSDJVUKLLY-ZDUSSCGKSA-N -1 3 387.299 3.144 20 0 GGADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645566951 567642371 /nfs/dbraw/zinc/64/23/71/567642371.db2.gz VTQKMLDEJOYCGN-VIFPVBQESA-N -1 3 378.347 3.288 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000553318336 567643612 /nfs/dbraw/zinc/64/36/12/567643612.db2.gz FIYNBDBLRBLJST-GOSISDBHSA-N -1 3 399.292 3.294 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645574010 567643607 /nfs/dbraw/zinc/64/36/07/567643607.db2.gz XHFVFAOHYZIWDC-ONGXEEELSA-N -1 3 389.823 3.314 20 0 GGADHM O=C(NCC(F)(F)c1ccc(Br)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000622207083 567643714 /nfs/dbraw/zinc/64/37/14/567643714.db2.gz UCQLUOBGMPUTHV-UHFFFAOYSA-N -1 3 398.207 3.344 20 0 GGADHM COCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645575199 567643806 /nfs/dbraw/zinc/64/38/06/567643806.db2.gz KYNRZHRUZQFFLJ-UHFFFAOYSA-N -1 3 375.796 3.332 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000645593187 567644177 /nfs/dbraw/zinc/64/41/77/567644177.db2.gz SNPXFTDJAROXCV-CQSZACIVSA-N -1 3 384.860 3.045 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000553331239 567644391 /nfs/dbraw/zinc/64/43/91/567644391.db2.gz AZFXUJAIRWLOLN-HOCLYGCPSA-N -1 3 378.519 3.026 20 0 GGADHM CSCC1(Cc2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)CC1 ZINC000596616560 567644471 /nfs/dbraw/zinc/64/44/71/567644471.db2.gz VYVRLYJIQVBOKC-ZDUSSCGKSA-N -1 3 381.523 3.103 20 0 GGADHM Cc1cc(I)cc(C(=O)N=c2cc3ccccn3[n-]2)c1C ZINC000553331909 567644589 /nfs/dbraw/zinc/64/45/89/567644589.db2.gz BVUHTQBZLDHGRJ-UHFFFAOYSA-N -1 3 391.212 3.230 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645574007 567644574 /nfs/dbraw/zinc/64/45/74/567644574.db2.gz XHFVFAOHYZIWDC-GXSJLCMTSA-N -1 3 389.823 3.314 20 0 GGADHM Cc1cccnc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000531181106 567644711 /nfs/dbraw/zinc/64/47/11/567644711.db2.gz PAANQQWVNIAAQL-UHFFFAOYSA-N -1 3 375.201 3.356 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000553331237 567644989 /nfs/dbraw/zinc/64/49/89/567644989.db2.gz AZFXUJAIRWLOLN-GDBMZVCRSA-N -1 3 378.519 3.026 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000480948986 567645230 /nfs/dbraw/zinc/64/52/30/567645230.db2.gz GUHKEXNMWPHQOB-YMTOWFKASA-N -1 3 388.536 3.046 20 0 GGADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645603341 567645255 /nfs/dbraw/zinc/64/52/55/567645255.db2.gz XLLMFBVMWNZGNC-NXEZZACHSA-N -1 3 387.807 3.332 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C(C)C ZINC000645596096 567645404 /nfs/dbraw/zinc/64/54/04/567645404.db2.gz YBJGXDUXSJHMLC-OAHLLOKOSA-N -1 3 386.901 3.394 20 0 GGADHM O=S(=O)([N-]Cc1c(F)cccc1OC(F)F)c1cc(F)c(F)c(F)c1 ZINC000480948420 567645474 /nfs/dbraw/zinc/64/54/74/567645474.db2.gz GMIDNUPUKHNCFT-UHFFFAOYSA-N -1 3 385.285 3.323 20 0 GGADHM CCc1cccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1[O-] ZINC000531193667 567645505 /nfs/dbraw/zinc/64/55/05/567645505.db2.gz MJWWQGHGRWCAOX-UHFFFAOYSA-N -1 3 378.270 3.391 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000480948985 567645678 /nfs/dbraw/zinc/64/56/78/567645678.db2.gz GUHKEXNMWPHQOB-XPTSAGLGSA-N -1 3 388.536 3.046 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)s1 ZINC000531194982 567646322 /nfs/dbraw/zinc/64/63/22/567646322.db2.gz JDFDPTDNGNOWJY-CHWSQXEVSA-N -1 3 387.324 3.357 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)c1ccccn1)C(C)C ZINC000645606561 567647469 /nfs/dbraw/zinc/64/74/69/567647469.db2.gz UDTZPUQEGJZWTA-QZTJIDSGSA-N -1 3 382.913 3.415 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cccc3[n-]nnc32)c1 ZINC000572553678 567648313 /nfs/dbraw/zinc/64/83/13/567648313.db2.gz FPUIMCSWUVSZEZ-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cccc3nn[n-]c32)c1 ZINC000572553678 567648319 /nfs/dbraw/zinc/64/83/19/567648319.db2.gz FPUIMCSWUVSZEZ-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cccc3n[n-]nc32)c1 ZINC000572553678 567648328 /nfs/dbraw/zinc/64/83/28/567648328.db2.gz FPUIMCSWUVSZEZ-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000645627880 567648457 /nfs/dbraw/zinc/64/84/57/567648457.db2.gz LPHJLCVHFZLZNW-JTQLQIEISA-N -1 3 387.807 3.475 20 0 GGADHM CCc1cccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c1[O-] ZINC000622439286 567648649 /nfs/dbraw/zinc/64/86/49/567648649.db2.gz CTTPGMHREAAZPA-LBPRGKRZSA-N -1 3 384.259 3.431 20 0 GGADHM CCc1cccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1[O-] ZINC000622439285 567648797 /nfs/dbraw/zinc/64/87/97/567648797.db2.gz CTTPGMHREAAZPA-GFCCVEGCSA-N -1 3 384.259 3.431 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1Cc2ccccc2C1 ZINC000480987080 567649124 /nfs/dbraw/zinc/64/91/24/567649124.db2.gz LLHYDKIMQFVNJX-LLVKDONJSA-N -1 3 399.299 3.203 20 0 GGADHM C[C@H]1C(=O)Nc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc2N1C ZINC000531253853 567649077 /nfs/dbraw/zinc/64/90/77/567649077.db2.gz LXJNEETXXLNUEP-VIFPVBQESA-N -1 3 390.237 3.184 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1C1CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645634622 567649770 /nfs/dbraw/zinc/64/97/70/567649770.db2.gz TYTRWGKOBPUPSN-GXFFZTMASA-N -1 3 385.791 3.084 20 0 GGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645639932 567649854 /nfs/dbraw/zinc/64/98/54/567649854.db2.gz OROJQBBMOYQWGD-SECBINFHSA-N -1 3 389.823 3.314 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@@H](C)O1 ZINC000645635559 567650301 /nfs/dbraw/zinc/65/03/01/567650301.db2.gz XIRHDMQQGLJZSJ-RKDXNWHRSA-N -1 3 387.807 3.473 20 0 GGADHM CO[C@](C)([C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000572582468 567650798 /nfs/dbraw/zinc/65/07/98/567650798.db2.gz NNCLGQQCBWKNSW-MLCYQJTMSA-N -1 3 393.281 3.224 20 0 GGADHM CO[C@](C)([C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000572582469 567650908 /nfs/dbraw/zinc/65/09/08/567650908.db2.gz NNCLGQQCBWKNSW-XTZNXHDOSA-N -1 3 393.281 3.224 20 0 GGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000572609239 567651934 /nfs/dbraw/zinc/65/19/34/567651934.db2.gz HPWGATPSEPXICF-DVYJOKAKSA-N -1 3 398.282 3.246 20 0 GGADHM CC(C)=CCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000481014223 567651936 /nfs/dbraw/zinc/65/19/36/567651936.db2.gz YHVAGZRATKZDBJ-UHFFFAOYSA-N -1 3 384.548 3.374 20 0 GGADHM COc1cccc2c1C[C@H](NCc1ccc(OC)c([O-])c1Br)C2 ZINC000459698764 567652089 /nfs/dbraw/zinc/65/20/89/567652089.db2.gz LHJCASDUSUZGBX-CYBMUJFWSA-N -1 3 378.266 3.429 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645653611 567652319 /nfs/dbraw/zinc/65/23/19/567652319.db2.gz NUHLPVUGTZRGDP-WCQYABFASA-N -1 3 399.818 3.475 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)o1 ZINC000645656008 567652331 /nfs/dbraw/zinc/65/23/31/567652331.db2.gz NLLZUQPDHKJGDN-UHFFFAOYSA-N -1 3 393.690 3.273 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)c(F)c1 ZINC000481023975 567652584 /nfs/dbraw/zinc/65/25/84/567652584.db2.gz OEDNWNIOIFRVOT-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000645658965 567652726 /nfs/dbraw/zinc/65/27/26/567652726.db2.gz UDZLHHJKJSMMQF-CYBMUJFWSA-N -1 3 377.359 3.459 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1OC(F)(F)F ZINC000645660383 567654324 /nfs/dbraw/zinc/65/43/24/567654324.db2.gz QSAMWRLBXYHJNS-KOLCDFICSA-N -1 3 387.807 3.068 20 0 GGADHM O=S(=O)(Cc1ccccc1Cl)NCc1ccc([O-])c(Br)c1 ZINC000481054367 567654611 /nfs/dbraw/zinc/65/46/11/567654611.db2.gz GCLVKOPVNIDRBV-UHFFFAOYSA-N -1 3 390.686 3.428 20 0 GGADHM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)O1 ZINC000507016215 567654599 /nfs/dbraw/zinc/65/45/99/567654599.db2.gz WFMBCYGIUIHQOY-JOAULVNJSA-N -1 3 383.221 3.125 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)s1 ZINC000481072860 567656137 /nfs/dbraw/zinc/65/61/37/567656137.db2.gz BESCUWHZHQPHNW-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000645688108 567657381 /nfs/dbraw/zinc/65/73/81/567657381.db2.gz UEYYOHBKSAFEAD-ZDUSSCGKSA-N -1 3 394.802 3.420 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CN1C1CCCCC1 ZINC000481081538 567657455 /nfs/dbraw/zinc/65/74/55/567657455.db2.gz ZXVCUNOSLFVNKV-NSHDSACASA-N -1 3 391.320 3.205 20 0 GGADHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645711699 567658563 /nfs/dbraw/zinc/65/85/63/567658563.db2.gz WWEZUCQUOXBYRP-APPZFPTMSA-N -1 3 375.821 3.268 20 0 GGADHM C[C@H](C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(Cl)s1 ZINC000531415018 567658630 /nfs/dbraw/zinc/65/86/30/567658630.db2.gz YNGARMPSXGYIEI-HUTHGQBESA-N -1 3 377.853 3.198 20 0 GGADHM O=S(=O)([N-]CCOC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2s1 ZINC000531434304 567659964 /nfs/dbraw/zinc/65/99/64/567659964.db2.gz CYRZVLMBBYMGHW-ZDUSSCGKSA-N -1 3 375.899 3.029 20 0 GGADHM CC(C)c1ncc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000441332180 567661383 /nfs/dbraw/zinc/66/13/83/567661383.db2.gz QKMNXGYZKCXUAX-UHFFFAOYSA-N -1 3 391.921 3.127 20 0 GGADHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645739301 567661684 /nfs/dbraw/zinc/66/16/84/567661684.db2.gz YLNCKXOXMWBMBL-IINYFYTJSA-N -1 3 396.734 3.073 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)CCCCF)CCCN1c1ccc(Cl)cc1Cl ZINC000553528650 567661786 /nfs/dbraw/zinc/66/17/86/567661786.db2.gz CFBRVMKVDRKKAU-ZDUSSCGKSA-N -1 3 397.299 3.158 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)s1 ZINC000553521350 567661917 /nfs/dbraw/zinc/66/19/17/567661917.db2.gz XMOIBALCVWGLMU-OAHLLOKOSA-N -1 3 379.507 3.311 20 0 GGADHM O=S(=O)([N-]CCNCc1ccsc1Cl)c1ccc(Cl)cc1F ZINC000441365315 567662160 /nfs/dbraw/zinc/66/21/60/567662160.db2.gz AMXZRDAAXZKWPU-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cn2)cc1F ZINC000481209930 567662206 /nfs/dbraw/zinc/66/22/06/567662206.db2.gz RPSFBZBAEGHOIB-VIFPVBQESA-N -1 3 391.237 3.470 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Br)cn1 ZINC000481206178 567662333 /nfs/dbraw/zinc/66/23/33/567662333.db2.gz JKBDGDVDMUDOKM-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM COC[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC)c1ccc(Cl)cc1 ZINC000645745640 567662745 /nfs/dbraw/zinc/66/27/45/567662745.db2.gz FLCOAAMIJDCGCV-CYBMUJFWSA-N -1 3 387.860 3.196 20 0 GGADHM CCSc1cccc(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000572746572 567662898 /nfs/dbraw/zinc/66/28/98/567662898.db2.gz DRSZAJQLSXHBSF-UHFFFAOYSA-N -1 3 382.482 3.239 20 0 GGADHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645744810 567662879 /nfs/dbraw/zinc/66/28/79/567662879.db2.gz ZQUMMOTZULSHPQ-MRVPVSSYSA-N -1 3 375.796 3.066 20 0 GGADHM Cc1nn(C)c2nc(C)c(C(=O)Nc3cc(Br)ccc3[O-])cc12 ZINC000531492834 567663406 /nfs/dbraw/zinc/66/34/06/567663406.db2.gz VBTVTFAATCUVJK-UHFFFAOYSA-N -1 3 375.226 3.306 20 0 GGADHM Cc1cccc([C@H](CC(=O)Nc2cc(Br)ccc2[O-])NC(N)=O)c1 ZINC000531492768 567663446 /nfs/dbraw/zinc/66/34/46/567663446.db2.gz QJHHBUIEAQAXKV-ZDUSSCGKSA-N -1 3 392.253 3.201 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)C2)c(OC)cc1Br ZINC000481219081 567663566 /nfs/dbraw/zinc/66/35/66/567663566.db2.gz NLUABQNUTBVYSG-MNOVXSKESA-N -1 3 392.315 3.181 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000481237686 567663963 /nfs/dbraw/zinc/66/39/63/567663963.db2.gz CEJQCFIYQCOEPC-MRXNPFEDSA-N -1 3 387.929 3.348 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Br)cn1 ZINC000481234786 567664077 /nfs/dbraw/zinc/66/40/77/567664077.db2.gz SJPGIIMGMDLVJS-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000481241634 567664322 /nfs/dbraw/zinc/66/43/22/567664322.db2.gz LHOOPZJPTNXTHF-ILXRZTDVSA-N -1 3 387.929 3.470 20 0 GGADHM COCCC1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000481238723 567664813 /nfs/dbraw/zinc/66/48/13/567664813.db2.gz UAXBJORGJZSBDH-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CC1 ZINC000645751170 567664957 /nfs/dbraw/zinc/66/49/57/567664957.db2.gz UWRJSBIIDOAQQP-OQPBUACISA-N -1 3 387.807 3.330 20 0 GGADHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000481233451 567664881 /nfs/dbraw/zinc/66/48/81/567664881.db2.gz LENYBJAJCLJEAF-KBPBESRZSA-N -1 3 386.583 3.167 20 0 GGADHM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645758547 567665022 /nfs/dbraw/zinc/66/50/22/567665022.db2.gz RYICTZVKGFNUCW-VIFPVBQESA-N -1 3 375.796 3.190 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000553556622 567665250 /nfs/dbraw/zinc/66/52/50/567665250.db2.gz ZGNLIFKIWYQKBO-UHFFFAOYSA-N -1 3 391.265 3.162 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)c(F)c1 ZINC000481247122 567665911 /nfs/dbraw/zinc/66/59/11/567665911.db2.gz UACYBCMHDOOZTJ-SECBINFHSA-N -1 3 389.246 3.031 20 0 GGADHM O=c1cc(CS(=O)(=O)Cc2csc(-c3cccs3)n2)nc(C2CC2)[n-]1 ZINC000666335888 567666064 /nfs/dbraw/zinc/66/60/64/567666064.db2.gz VNJWLSWXBWAHME-UHFFFAOYSA-N -1 3 393.515 3.360 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)s1 ZINC000531568677 567666145 /nfs/dbraw/zinc/66/61/45/567666145.db2.gz WZJXYKDEIPAWKV-VIFPVBQESA-N -1 3 387.914 3.117 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)s1 ZINC000531568674 567666224 /nfs/dbraw/zinc/66/62/24/567666224.db2.gz WZJXYKDEIPAWKV-SECBINFHSA-N -1 3 387.914 3.117 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000553567048 567666863 /nfs/dbraw/zinc/66/68/63/567666863.db2.gz SAHSOMUAHQLOCM-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000481259513 567666971 /nfs/dbraw/zinc/66/69/71/567666971.db2.gz NNIMJVWYJTUKLG-OCCSQVGLSA-N -1 3 383.466 3.288 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000481266417 567667145 /nfs/dbraw/zinc/66/71/45/567667145.db2.gz GIUIKVHHRPLRPJ-MRXNPFEDSA-N -1 3 387.929 3.348 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000572812048 567667204 /nfs/dbraw/zinc/66/72/04/567667204.db2.gz QJGRGFHXLJEGOQ-JXQTWKCFSA-N -1 3 385.448 3.149 20 0 GGADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)no1 ZINC000572804644 567667459 /nfs/dbraw/zinc/66/74/59/567667459.db2.gz PWEYSVGVZCTIMG-UHFFFAOYSA-N -1 3 377.388 3.173 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](CO)C2)c(Cl)c1Cl ZINC000553575624 567667935 /nfs/dbraw/zinc/66/79/35/567667935.db2.gz WWDVPXPGMUBEFU-WDEREUQCSA-N -1 3 382.309 3.079 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000481277773 567668030 /nfs/dbraw/zinc/66/80/30/567668030.db2.gz SUBAYEHYKMXEOB-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000481277773 567668034 /nfs/dbraw/zinc/66/80/34/567668034.db2.gz SUBAYEHYKMXEOB-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000481277773 567668036 /nfs/dbraw/zinc/66/80/36/567668036.db2.gz SUBAYEHYKMXEOB-UHFFFAOYSA-N -1 3 385.680 3.400 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000531611089 567668457 /nfs/dbraw/zinc/66/84/57/567668457.db2.gz FBPZVYYFJPVXAT-UHFFFAOYSA-N -1 3 382.219 3.057 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000531609320 567668724 /nfs/dbraw/zinc/66/87/24/567668724.db2.gz BBTGIJISGXSXMV-NEPJUHHUSA-N -1 3 388.308 3.354 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000531609323 567668788 /nfs/dbraw/zinc/66/87/88/567668788.db2.gz BBTGIJISGXSXMV-VXGBXAGGSA-N -1 3 388.308 3.354 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)s1 ZINC000645792766 567668970 /nfs/dbraw/zinc/66/89/70/567668970.db2.gz XVDIZGLLSALWDV-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000531609321 567669103 /nfs/dbraw/zinc/66/91/03/567669103.db2.gz BBTGIJISGXSXMV-NWDGAFQWSA-N -1 3 388.308 3.354 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000645795299 567669227 /nfs/dbraw/zinc/66/92/27/567669227.db2.gz SKPMAUMHARCETI-NSHDSACASA-N -1 3 385.860 3.325 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000572873774 567670820 /nfs/dbraw/zinc/67/08/20/567670820.db2.gz GJUMMFMXERXIEX-ZIAGYGMSSA-N -1 3 379.881 3.314 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)CO2 ZINC000531657217 567671914 /nfs/dbraw/zinc/67/19/14/567671914.db2.gz ROKIDZKFBJHNRV-CQSZACIVSA-N -1 3 386.242 3.309 20 0 GGADHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000645830811 567673214 /nfs/dbraw/zinc/67/32/14/567673214.db2.gz AXSDUHGIGGHPSZ-NXEZZACHSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000507272316 567673243 /nfs/dbraw/zinc/67/32/43/567673243.db2.gz LAWOLQQVAPEUQJ-RYUDHWBXSA-N -1 3 378.460 3.139 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c(Cl)cccc2Cl)s1 ZINC000507299941 567673829 /nfs/dbraw/zinc/67/38/29/567673829.db2.gz NCXKFCZLZIKZOG-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM Cc1ccoc1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000553661021 567673884 /nfs/dbraw/zinc/67/38/84/567673884.db2.gz WNBKXEQOBIZMHS-UHFFFAOYSA-N -1 3 396.515 3.120 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccccc1F)c1ccccc1C(F)(F)F ZINC000645844658 567674577 /nfs/dbraw/zinc/67/45/77/567674577.db2.gz IGXGMTBKDINGFG-AWEZNQCLSA-N -1 3 377.359 3.247 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@@H](CCO)c1ccccc1F ZINC000645843735 567674726 /nfs/dbraw/zinc/67/47/26/567674726.db2.gz CVGGDWCNXDEKTM-INIZCTEOSA-N -1 3 375.824 3.161 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000553679061 567675630 /nfs/dbraw/zinc/67/56/30/567675630.db2.gz SKEGFGCCURGZEF-IIAWOOMASA-N -1 3 378.519 3.025 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCOC2(CCCC2)C1 ZINC000531714510 567675850 /nfs/dbraw/zinc/67/58/50/567675850.db2.gz BXASRMDEFBNXMX-UHFFFAOYSA-N -1 3 391.265 3.076 20 0 GGADHM O=C([N-]c1cc(-c2ccc(Br)o2)no1)C1(C(=O)NC2CC2)CCC1 ZINC000572945338 567677013 /nfs/dbraw/zinc/67/70/13/567677013.db2.gz DRUHAEAFEBIKDN-UHFFFAOYSA-N -1 3 394.225 3.085 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCS[C@@H]1C ZINC000645876172 567677846 /nfs/dbraw/zinc/67/78/46/567677846.db2.gz QMGWOFHTQAXSAU-KOLCDFICSA-N -1 3 380.329 3.020 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCS[C@@H]1C ZINC000645876173 567677988 /nfs/dbraw/zinc/67/79/88/567677988.db2.gz QMGWOFHTQAXSAU-MWLCHTKSSA-N -1 3 380.329 3.020 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)s1 ZINC000481441627 567678396 /nfs/dbraw/zinc/67/83/96/567678396.db2.gz HIWRFWRCUJAOLH-UHFFFAOYSA-N -1 3 394.440 3.317 20 0 GGADHM Cc1ccsc1S(=O)(=O)[N-]c1cccn(Cc2ccc(F)cc2)c1=O ZINC000531781354 567678655 /nfs/dbraw/zinc/67/86/55/567678655.db2.gz JSORKXJHCLAVAC-UHFFFAOYSA-N -1 3 378.450 3.206 20 0 GGADHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645879155 567678682 /nfs/dbraw/zinc/67/86/82/567678682.db2.gz BETVZDFUJDXNBG-VXNVDRBHSA-N -1 3 375.821 3.411 20 0 GGADHM C[C@]1(c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000531766863 567678796 /nfs/dbraw/zinc/67/87/96/567678796.db2.gz GSVDSMGKFMWSDD-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM O=S(=O)(Cc1ccccc1F)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481468130 567678931 /nfs/dbraw/zinc/67/89/31/567678931.db2.gz VSTXFDAZHIDXCS-CQSZACIVSA-N -1 3 378.252 3.286 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000507442222 567679353 /nfs/dbraw/zinc/67/93/53/567679353.db2.gz NQJBPJWPZCWWQR-CYBMUJFWSA-N -1 3 378.837 3.100 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1)C(C)(C)C ZINC000441975757 567679695 /nfs/dbraw/zinc/67/96/95/567679695.db2.gz SQDSLJOPPSSGIT-OAHLLOKOSA-N -1 3 394.534 3.079 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000531802652 567680250 /nfs/dbraw/zinc/68/02/50/567680250.db2.gz RALNTHQIFKWYBV-GXTWGEPZSA-N -1 3 382.233 3.296 20 0 GGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000481471563 567680566 /nfs/dbraw/zinc/68/05/66/567680566.db2.gz ATRVSLVDUCVAKL-SNVBAGLBSA-N -1 3 382.295 3.054 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c(F)c1 ZINC000481474323 567680771 /nfs/dbraw/zinc/68/07/71/567680771.db2.gz IZDDEYCKILFJOV-CYBMUJFWSA-N -1 3 394.251 3.153 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1cc(F)cc(F)c1 ZINC000481482088 567680954 /nfs/dbraw/zinc/68/09/54/567680954.db2.gz QBFUVJICSUJNOL-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000507450224 567681302 /nfs/dbraw/zinc/68/13/02/567681302.db2.gz KSKCYRLIMFMYNN-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000507450224 567681304 /nfs/dbraw/zinc/68/13/04/567681304.db2.gz KSKCYRLIMFMYNN-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000507450224 567681308 /nfs/dbraw/zinc/68/13/08/567681308.db2.gz KSKCYRLIMFMYNN-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2ccc(Cl)cc21)c1ccc(F)cc1F ZINC000442091469 567681631 /nfs/dbraw/zinc/68/16/31/567681631.db2.gz OEWXIEDXEWDVKH-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000531831494 567681597 /nfs/dbraw/zinc/68/15/97/567681597.db2.gz LHXZUPKXDOAJCQ-UHFFFAOYSA-N -1 3 388.898 3.107 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)ccc1F ZINC000442100089 567682230 /nfs/dbraw/zinc/68/22/30/567682230.db2.gz PVKVGKJQOJQKSK-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM O=S(=O)(CCOc1ccccc1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000573019634 567682167 /nfs/dbraw/zinc/68/21/67/567682167.db2.gz FQUJKTJIJZTYJO-HNNXBMFYSA-N -1 3 390.288 3.025 20 0 GGADHM O=S(=O)(CCOc1ccccc1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000573019635 567682228 /nfs/dbraw/zinc/68/22/28/567682228.db2.gz FQUJKTJIJZTYJO-OAHLLOKOSA-N -1 3 390.288 3.025 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1F ZINC000442104431 567682433 /nfs/dbraw/zinc/68/24/33/567682433.db2.gz BFFSUCSBRZVVKL-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481497327 567682712 /nfs/dbraw/zinc/68/27/12/567682712.db2.gz WJOZUQFRLIIXLY-CQSZACIVSA-N -1 3 378.252 3.286 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481503809 567682995 /nfs/dbraw/zinc/68/29/95/567682995.db2.gz AHVIATHBDGQYAT-CYBMUJFWSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c1F ZINC000481502068 567683717 /nfs/dbraw/zinc/68/37/17/567683717.db2.gz NSAZJQISXMVWJB-LBPRGKRZSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H]2CSc3ccc(Br)cc32)c(=O)[n-]1 ZINC000573060233 567685249 /nfs/dbraw/zinc/68/52/49/567685249.db2.gz RNSXIPCYFGKJRY-ZDUSSCGKSA-N -1 3 394.294 3.067 20 0 GGADHM Cc1cccc2c1OC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000460362050 567686379 /nfs/dbraw/zinc/68/63/79/567686379.db2.gz LYYQGUOFOTWMEV-AWEZNQCLSA-N -1 3 391.265 3.266 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442233845 567686653 /nfs/dbraw/zinc/68/66/53/567686653.db2.gz GBAUIBQHENCDGV-UHFFFAOYSA-N -1 3 377.796 3.444 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442240206 567687501 /nfs/dbraw/zinc/68/75/01/567687501.db2.gz HVIUVOOZAQCOKG-UHFFFAOYSA-N -1 3 381.187 3.171 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1cccnc1C(F)(F)F ZINC000553819567 567688082 /nfs/dbraw/zinc/68/80/82/567688082.db2.gz PHFZGOOLLUIOHD-UHFFFAOYSA-N -1 3 382.310 3.180 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cnn1-c1ccccn1 ZINC000507570958 567688070 /nfs/dbraw/zinc/68/80/70/567688070.db2.gz UUKPOFRKWHPBGR-UHFFFAOYSA-N -1 3 380.832 3.477 20 0 GGADHM CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1ccc([O-])c(C(=O)OC)c1 ZINC000442241098 567688369 /nfs/dbraw/zinc/68/83/69/567688369.db2.gz IGJZCPMHDRCBRD-UHFFFAOYSA-N -1 3 387.816 3.187 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(N2CCOCC2)cc1F)c1ccc(Cl)cc1 ZINC000507598949 567689287 /nfs/dbraw/zinc/68/92/87/567689287.db2.gz JKZDMSKSQSBONL-UHFFFAOYSA-N -1 3 388.823 3.256 20 0 GGADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1Cl ZINC000507616100 567690332 /nfs/dbraw/zinc/69/03/32/567690332.db2.gz JEPWSYVFFHBBRS-UHFFFAOYSA-N -1 3 383.853 3.255 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1nccs1 ZINC000553857020 567691516 /nfs/dbraw/zinc/69/15/16/567691516.db2.gz NEPCAJGLCYFAEL-MRVPVSSYSA-N -1 3 384.376 3.263 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(C)c(F)cc1Cl)c1ccccc1 ZINC000507639372 567691850 /nfs/dbraw/zinc/69/18/50/567691850.db2.gz WICGTTVWGPEVSC-CYBMUJFWSA-N -1 3 385.844 3.486 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(Cl)cc1F ZINC000507645747 567693778 /nfs/dbraw/zinc/69/37/78/567693778.db2.gz SMRXRNHPJGITPA-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553872585 567694139 /nfs/dbraw/zinc/69/41/39/567694139.db2.gz YSYDYIYFRCNZCV-ZDUSSCGKSA-N -1 3 387.395 3.046 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2c1cccc2Cl)c1ccc(F)cc1F ZINC000573190154 567695159 /nfs/dbraw/zinc/69/51/59/567695159.db2.gz BOCABMQUDOUISZ-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000573191508 567695423 /nfs/dbraw/zinc/69/54/23/567695423.db2.gz JBFHBTFJSCMHEG-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000442565462 567695858 /nfs/dbraw/zinc/69/58/58/567695858.db2.gz HYZQMQIRXVLVRK-GFCCVEGCSA-N -1 3 391.265 3.231 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(F)c(Br)c1 ZINC000507672844 567695790 /nfs/dbraw/zinc/69/57/90/567695790.db2.gz CGPKPBQFUUIYMX-SSDOTTSWSA-N -1 3 381.180 3.490 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(F)c(Br)c1 ZINC000507672844 567695796 /nfs/dbraw/zinc/69/57/96/567695796.db2.gz CGPKPBQFUUIYMX-SSDOTTSWSA-N -1 3 381.180 3.490 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(F)c(Br)c1 ZINC000507672844 567695800 /nfs/dbraw/zinc/69/58/00/567695800.db2.gz CGPKPBQFUUIYMX-SSDOTTSWSA-N -1 3 381.180 3.490 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000553885900 567695959 /nfs/dbraw/zinc/69/59/59/567695959.db2.gz HRLLNVUSIBTDAH-UHFFFAOYSA-N -1 3 394.331 3.189 20 0 GGADHM O=C([O-])CN(Cc1cc2c(cc1Br)OCCCO2)C1CCCC1 ZINC000573221658 567696501 /nfs/dbraw/zinc/69/65/01/567696501.db2.gz LMISLVHFQQWKJZ-UHFFFAOYSA-N -1 3 384.270 3.440 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000553887120 567696468 /nfs/dbraw/zinc/69/64/68/567696468.db2.gz QKBLWZUDZUOGGH-UHFFFAOYSA-N -1 3 382.295 3.319 20 0 GGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(Br)o2)c(F)c1 ZINC000442597268 567697019 /nfs/dbraw/zinc/69/70/19/567697019.db2.gz IXOXPHUYVDLARR-UHFFFAOYSA-N -1 3 380.166 3.324 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1Br ZINC000553905755 567697050 /nfs/dbraw/zinc/69/70/50/567697050.db2.gz OCBCFMZMXRXVBO-BJOHPYRUSA-N -1 3 386.242 3.389 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000553904814 567697361 /nfs/dbraw/zinc/69/73/61/567697361.db2.gz FZKARIHUSNFUEG-CQSZACIVSA-N -1 3 390.288 3.404 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000553905556 567697417 /nfs/dbraw/zinc/69/74/17/567697417.db2.gz PPZRWNJKESIRGT-STQMWFEESA-N -1 3 393.958 3.175 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1Br ZINC000553905766 567697756 /nfs/dbraw/zinc/69/77/56/567697756.db2.gz OCBCFMZMXRXVBO-RFAUZJTJSA-N -1 3 386.242 3.389 20 0 GGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(Br)o2)c(F)c1F ZINC000442596408 567697744 /nfs/dbraw/zinc/69/77/44/567697744.db2.gz FYBPQSGSOHYCIB-UHFFFAOYSA-N -1 3 398.156 3.463 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1 ZINC000532107917 567697849 /nfs/dbraw/zinc/69/78/49/567697849.db2.gz MNKZYRCLNHSQJR-NSHDSACASA-N -1 3 396.818 3.310 20 0 GGADHM CC(C)(C)OC(=O)C1(C(=O)NCc2ccc([O-])c(Br)c2)CC=CC1 ZINC000597408169 567698974 /nfs/dbraw/zinc/69/89/74/567698974.db2.gz BFMAIQQBCYTUCU-UHFFFAOYSA-N -1 3 396.281 3.449 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)ccc1Br ZINC000553913201 567699106 /nfs/dbraw/zinc/69/91/06/567699106.db2.gz WWOQHWGIKIHFSX-UHFFFAOYSA-N -1 3 388.205 3.077 20 0 GGADHM Cn1c(=O)[n-]nc1SCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000532152631 567700516 /nfs/dbraw/zinc/70/05/16/567700516.db2.gz UYMZYOGDCDSHFY-GFCCVEGCSA-N -1 3 387.292 3.283 20 0 GGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)CO2 ZINC000532167504 567701606 /nfs/dbraw/zinc/70/16/06/567701606.db2.gz KBXBXZSCAQVESO-AWEZNQCLSA-N -1 3 386.242 3.309 20 0 GGADHM CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646264516 567702771 /nfs/dbraw/zinc/70/27/71/567702771.db2.gz KVWMDYNKAQORCV-GFCCVEGCSA-N -1 3 391.273 3.058 20 0 GGADHM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000532185362 567703318 /nfs/dbraw/zinc/70/33/18/567703318.db2.gz NVQFKQZUWXYABQ-UHFFFAOYSA-N -1 3 378.148 3.474 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1cc(C)cc(C)c1 ZINC000442744346 567703965 /nfs/dbraw/zinc/70/39/65/567703965.db2.gz MGXFFDPLNXFQNB-AWEZNQCLSA-N -1 3 381.519 3.369 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000442747693 567705267 /nfs/dbraw/zinc/70/52/67/567705267.db2.gz ZPCQFQPOUAFPLK-UHFFFAOYSA-N -1 3 397.543 3.446 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCN1C1CCCCC1 ZINC000442753014 567705511 /nfs/dbraw/zinc/70/55/11/567705511.db2.gz UOHAYXPEQRRERX-OAHLLOKOSA-N -1 3 388.892 3.081 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(F)cc1 ZINC000442763319 567707137 /nfs/dbraw/zinc/70/71/37/567707137.db2.gz IRUXPVYYXBAKNG-UHFFFAOYSA-N -1 3 385.482 3.238 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCN1C1CCCCC1 ZINC000442768382 567707865 /nfs/dbraw/zinc/70/78/65/567707865.db2.gz LNLIVQUHZHURAP-AWEZNQCLSA-N -1 3 388.892 3.081 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1c(C)cc(C)cc1C ZINC000442773492 567708357 /nfs/dbraw/zinc/70/83/57/567708357.db2.gz XGCKYMJOTCNFDU-UHFFFAOYSA-N -1 3 381.519 3.289 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(COCC(F)(F)F)c2)s1 ZINC000460908646 567709438 /nfs/dbraw/zinc/70/94/38/567709438.db2.gz MPQYFGJWECLIAM-UHFFFAOYSA-N -1 3 394.440 3.263 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000460904390 567709529 /nfs/dbraw/zinc/70/95/29/567709529.db2.gz RLCPGYCJPMSFGI-JTQLQIEISA-N -1 3 389.905 3.055 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2s1 ZINC000442790433 567709697 /nfs/dbraw/zinc/70/96/97/567709697.db2.gz GJURYXCWRIMNJU-SECBINFHSA-N -1 3 382.488 3.184 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)s1 ZINC000460914713 567709799 /nfs/dbraw/zinc/70/97/99/567709799.db2.gz QTZOQNLTKLTMPR-UHFFFAOYSA-N -1 3 379.532 3.350 20 0 GGADHM Cc1cccc(-c2cnc(NC(=O)C[N-]S(=O)(=O)c3cccs3)s2)c1 ZINC000554105760 567710143 /nfs/dbraw/zinc/71/01/43/567710143.db2.gz BZIGSBLQICFJNE-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM CSc1ccc([O-])c(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000666886947 567710384 /nfs/dbraw/zinc/71/03/84/567710384.db2.gz ISFFJCMKQHOAKU-UHFFFAOYSA-N -1 3 376.503 3.164 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)s1 ZINC000460938207 567710635 /nfs/dbraw/zinc/71/06/35/567710635.db2.gz JCLJTWWOLSOOFZ-UHFFFAOYSA-N -1 3 380.413 3.125 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000460933582 567710978 /nfs/dbraw/zinc/71/09/78/567710978.db2.gz GJHLZOICYFVIGD-LLVKDONJSA-N -1 3 379.507 3.094 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000460939745 567711032 /nfs/dbraw/zinc/71/10/32/567711032.db2.gz XRYKVIUPLBYAIA-SNVBAGLBSA-N -1 3 389.905 3.055 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)c1cccc(Br)c1 ZINC000507845614 567711188 /nfs/dbraw/zinc/71/11/88/567711188.db2.gz SQDNFWWDBMQZSN-UHFFFAOYSA-N -1 3 387.299 3.310 20 0 GGADHM O=C(NCc1noc(C(F)(F)F)n1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000573405764 567711255 /nfs/dbraw/zinc/71/12/55/567711255.db2.gz SZIJMTXCWYPKBB-UHFFFAOYSA-N -1 3 377.735 3.123 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2OC)s1 ZINC000460928827 567711230 /nfs/dbraw/zinc/71/12/30/567711230.db2.gz VFZCAEILRGZUPQ-QGZVFWFLSA-N -1 3 378.475 3.375 20 0 GGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000573414464 567711777 /nfs/dbraw/zinc/71/17/77/567711777.db2.gz JNIHSOVHTUPLMM-UHFFFAOYSA-N -1 3 382.438 3.183 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000442850099 567712199 /nfs/dbraw/zinc/71/21/99/567712199.db2.gz VAJXPNQUFZRCBF-LBPRGKRZSA-N -1 3 392.279 3.262 20 0 GGADHM COc1ccsc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442854894 567712300 /nfs/dbraw/zinc/71/23/00/567712300.db2.gz BBHKWRPFQAJUBC-JTQLQIEISA-N -1 3 392.905 3.178 20 0 GGADHM CCCN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)[C@H]1CCN(C)C1 ZINC000646363960 567712339 /nfs/dbraw/zinc/71/23/39/567712339.db2.gz VHKXUPBGTMBXOS-AWEZNQCLSA-N -1 3 379.917 3.228 20 0 GGADHM COc1ccsc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442854895 567712948 /nfs/dbraw/zinc/71/29/48/567712948.db2.gz BBHKWRPFQAJUBC-SNVBAGLBSA-N -1 3 392.905 3.178 20 0 GGADHM COc1cc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1Cl ZINC000623470194 567713113 /nfs/dbraw/zinc/71/31/13/567713113.db2.gz CULMWGTYTBUBKH-UHFFFAOYSA-N -1 3 395.333 3.132 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000442841480 567713110 /nfs/dbraw/zinc/71/31/10/567713110.db2.gz AHYZJFUYXVQKHR-LBPRGKRZSA-N -1 3 383.466 3.071 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccc(Cl)cc2)s1 ZINC000460957180 567713339 /nfs/dbraw/zinc/71/33/39/567713339.db2.gz KKALIVGLVBAUBJ-HNNXBMFYSA-N -1 3 396.925 3.160 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1Cl ZINC000442875532 567713686 /nfs/dbraw/zinc/71/36/86/567713686.db2.gz WIBLEZIUCMPFFU-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000507906139 567714415 /nfs/dbraw/zinc/71/44/15/567714415.db2.gz PSJGDKNYFNOAJS-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H](C)CSc2ccccc2OC)s1 ZINC000460971801 567714423 /nfs/dbraw/zinc/71/44/23/567714423.db2.gz ZFQZKANNWYWVQX-LBPRGKRZSA-N -1 3 386.564 3.421 20 0 GGADHM Cc1ccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000442866298 567714532 /nfs/dbraw/zinc/71/45/32/567714532.db2.gz HUYFBGKKTCIURV-LLVKDONJSA-N -1 3 376.906 3.478 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(Cl)cn1 ZINC000442869263 567714855 /nfs/dbraw/zinc/71/48/55/567714855.db2.gz PEGKFEDAPPVFCG-SNVBAGLBSA-N -1 3 392.283 3.157 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](C)CSc2ccccc2OC)s1 ZINC000460971800 567714887 /nfs/dbraw/zinc/71/48/87/567714887.db2.gz ZFQZKANNWYWVQX-GFCCVEGCSA-N -1 3 386.564 3.421 20 0 GGADHM Cc1ccsc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442866907 567714987 /nfs/dbraw/zinc/71/49/87/567714987.db2.gz JMZBSHWUJUFINZ-LLVKDONJSA-N -1 3 376.906 3.478 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)cn1 ZINC000507909468 567715012 /nfs/dbraw/zinc/71/50/12/567715012.db2.gz RBYXXGWZASDHEQ-UHFFFAOYSA-N -1 3 375.219 3.101 20 0 GGADHM O=c1c([N-]S(=O)(=O)c2csc3ccccc32)cccn1CC(F)(F)F ZINC000507906423 567715060 /nfs/dbraw/zinc/71/50/60/567715060.db2.gz QMSLKERKOKCITH-UHFFFAOYSA-N -1 3 388.392 3.426 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCSc1ccc(C)cc1 ZINC000442899978 567715551 /nfs/dbraw/zinc/71/55/51/567715551.db2.gz OLYWXIUHYUXRII-UHFFFAOYSA-N -1 3 385.532 3.222 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]Cc2cc(Cl)ccc2Br)on1 ZINC000573483944 567716475 /nfs/dbraw/zinc/71/64/75/567716475.db2.gz SJNQIFHMJBLVBQ-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)cs1 ZINC000532449046 567716740 /nfs/dbraw/zinc/71/67/40/567716740.db2.gz DEXLURNSGIFISC-UHFFFAOYSA-N -1 3 385.561 3.466 20 0 GGADHM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000532446149 567716780 /nfs/dbraw/zinc/71/67/80/567716780.db2.gz YTMPAHFDFVXYEE-UHFFFAOYSA-N -1 3 378.148 3.474 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccsc1 ZINC000442907448 567717190 /nfs/dbraw/zinc/71/71/90/567717190.db2.gz JUHDBAOAPZTDEI-AWEZNQCLSA-N -1 3 395.897 3.107 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccsc1 ZINC000442907448 567717197 /nfs/dbraw/zinc/71/71/97/567717197.db2.gz JUHDBAOAPZTDEI-AWEZNQCLSA-N -1 3 395.897 3.107 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000573537723 567720910 /nfs/dbraw/zinc/72/09/10/567720910.db2.gz ICCHGBIUAGHRBP-CQSZACIVSA-N -1 3 396.242 3.425 20 0 GGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1 ZINC000461112948 567721125 /nfs/dbraw/zinc/72/11/25/567721125.db2.gz NYUKGNZPSCSCEF-JOCHJYFZSA-N -1 3 375.874 3.467 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)s1 ZINC000573560698 567721573 /nfs/dbraw/zinc/72/15/73/567721573.db2.gz MGMXMMCCJIYIPT-KBPBESRZSA-N -1 3 390.546 3.012 20 0 GGADHM CC(C)c1ncc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000461119565 567722548 /nfs/dbraw/zinc/72/25/48/567722548.db2.gz ZJWFCTZSVISWTI-UHFFFAOYSA-N -1 3 384.299 3.347 20 0 GGADHM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000508003379 567722974 /nfs/dbraw/zinc/72/29/74/567722974.db2.gz XUYLSMZMEOGKRS-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000508039586 567723875 /nfs/dbraw/zinc/72/38/75/567723875.db2.gz RCWOHHRITAZKDG-UHFFFAOYSA-N -1 3 381.351 3.114 20 0 GGADHM CC(C)CC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443024949 567724352 /nfs/dbraw/zinc/72/43/52/567724352.db2.gz NWMGZEHCALWLHS-GFCCVEGCSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)CC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443024949 567724359 /nfs/dbraw/zinc/72/43/59/567724359.db2.gz NWMGZEHCALWLHS-GFCCVEGCSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443023604 567724473 /nfs/dbraw/zinc/72/44/73/567724473.db2.gz MCDUUTOVTWVUAK-ABAIWWIYSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443023604 567724476 /nfs/dbraw/zinc/72/44/76/567724476.db2.gz MCDUUTOVTWVUAK-ABAIWWIYSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(C)C)cc1 ZINC000443023143 567724535 /nfs/dbraw/zinc/72/45/35/567724535.db2.gz LMXRJJZHFCRVAP-GFCCVEGCSA-N -1 3 383.491 3.361 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)COc1cccc(Cl)c1 ZINC000461246802 567726181 /nfs/dbraw/zinc/72/61/81/567726181.db2.gz XEOFFFWQMOOTKF-UHFFFAOYSA-N -1 3 377.231 3.228 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000443032755 567726458 /nfs/dbraw/zinc/72/64/58/567726458.db2.gz CIPSEDISDRMZBW-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM O=S(=O)(NCCC1=CCCCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443042699 567726985 /nfs/dbraw/zinc/72/69/85/567726985.db2.gz NCFZBIXTEJAVLZ-UHFFFAOYSA-N -1 3 381.889 3.079 20 0 GGADHM O=S(=O)(NCCC1=CCCCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443042699 567726990 /nfs/dbraw/zinc/72/69/90/567726990.db2.gz NCFZBIXTEJAVLZ-UHFFFAOYSA-N -1 3 381.889 3.079 20 0 GGADHM O=c1[n-]nc(C2CCN(c3ncnc4cc(F)c(Br)cc43)CC2)o1 ZINC000573651859 567726999 /nfs/dbraw/zinc/72/69/99/567726999.db2.gz NBYPBXSWXZEAHK-UHFFFAOYSA-N -1 3 394.204 3.004 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000443076147 567728394 /nfs/dbraw/zinc/72/83/94/567728394.db2.gz HZFFHNICJSXRRJ-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000532677187 567728636 /nfs/dbraw/zinc/72/86/36/567728636.db2.gz YEOXPNVECFFTKI-GUYCJALGSA-N -1 3 385.482 3.213 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000532677188 567729007 /nfs/dbraw/zinc/72/90/07/567729007.db2.gz YEOXPNVECFFTKI-SUMWQHHRSA-N -1 3 385.482 3.213 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccc(Br)c1[O-] ZINC000532687164 567729119 /nfs/dbraw/zinc/72/91/19/567729119.db2.gz MNMCPAPIBLJLSJ-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c(Cl)c1 ZINC000508097050 567729458 /nfs/dbraw/zinc/72/94/58/567729458.db2.gz SESNBAGCKWCGGE-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1C ZINC000443082542 567729921 /nfs/dbraw/zinc/72/99/21/567729921.db2.gz ALMAXNLWWRWMMF-CQSZACIVSA-N -1 3 382.507 3.304 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C(=O)OC)cc2Cl)cc1 ZINC000508111382 567730163 /nfs/dbraw/zinc/73/01/63/567730163.db2.gz JMEDSJIVGGCSLE-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM O=C1CCN1c1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000443088200 567730075 /nfs/dbraw/zinc/73/00/75/567730075.db2.gz ARTGBMSUEZRIDY-UHFFFAOYSA-N -1 3 385.272 3.209 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1 ZINC000443085323 567730533 /nfs/dbraw/zinc/73/05/33/567730533.db2.gz BDOZPCAPQHUZON-UHFFFAOYSA-N -1 3 381.881 3.383 20 0 GGADHM O=C(NCc1ccc2c(c1)CCO2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000554489883 567730729 /nfs/dbraw/zinc/73/07/29/567730729.db2.gz WSNMAZJNOUZPKA-UHFFFAOYSA-N -1 3 399.244 3.156 20 0 GGADHM O=S(=O)(CCc1ccccc1Br)[N-]c1c(F)cccc1CO ZINC000461342036 567731235 /nfs/dbraw/zinc/73/12/35/567731235.db2.gz MJJOHIBBCSMVLR-UHFFFAOYSA-N -1 3 388.258 3.065 20 0 GGADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cccc2c1OCO2 ZINC000508116408 567731387 /nfs/dbraw/zinc/73/13/87/567731387.db2.gz KURWODKOSDKIQP-UHFFFAOYSA-N -1 3 391.630 3.027 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000443093607 567731614 /nfs/dbraw/zinc/73/16/14/567731614.db2.gz ANENYOSIHMNXOC-AWEZNQCLSA-N -1 3 386.470 3.135 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)[C@H]([N-]S(=O)(=O)C3CC3)C(C)C)n2)s1 ZINC000646607090 567732126 /nfs/dbraw/zinc/73/21/26/567732126.db2.gz ALJBZTIBOFMBEM-CQSZACIVSA-N -1 3 399.563 3.225 20 0 GGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573739382 567732477 /nfs/dbraw/zinc/73/24/77/567732477.db2.gz LESUZBLSVGRYKF-UHFFFAOYSA-N -1 3 375.841 3.427 20 0 GGADHM NC(=O)COc1ccc(NC(=O)c2cc3cc(Br)sc3[n-]2)cc1 ZINC000646639373 567732608 /nfs/dbraw/zinc/73/26/08/567732608.db2.gz LDVVMANCIGCJKC-UHFFFAOYSA-N -1 3 394.250 3.108 20 0 GGADHM COc1cc(C(=O)NCc2cn3cc(Br)cc(C)c3n2)ccc1[O-] ZINC000443110172 567732638 /nfs/dbraw/zinc/73/26/38/567732638.db2.gz MTRJMPXOGNFCOV-UHFFFAOYSA-N -1 3 390.237 3.049 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1C ZINC000443111795 567732664 /nfs/dbraw/zinc/73/26/64/567732664.db2.gz VAONXVINVCGRBA-UHFFFAOYSA-N -1 3 375.471 3.475 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1Cl ZINC000443113069 567733046 /nfs/dbraw/zinc/73/30/46/567733046.db2.gz SCEIDKXVNINPGS-SSDOTTSWSA-N -1 3 395.289 3.276 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1 ZINC000508130030 567733230 /nfs/dbraw/zinc/73/32/30/567733230.db2.gz DSFIBBAAQIEOSV-OAHLLOKOSA-N -1 3 381.416 3.255 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000508133751 567733600 /nfs/dbraw/zinc/73/36/00/567733600.db2.gz SABYAMQNDJEVQY-UHFFFAOYSA-N -1 3 391.674 3.445 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1Cl)C(C)C ZINC000443117823 567733883 /nfs/dbraw/zinc/73/38/83/567733883.db2.gz OHOMWIIHIPCEEG-CYBMUJFWSA-N -1 3 388.898 3.259 20 0 GGADHM O=S(=O)([N-]CCNCc1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000532783159 567734639 /nfs/dbraw/zinc/73/46/39/567734639.db2.gz OERZBQBHCRBQAW-UHFFFAOYSA-N -1 3 398.859 3.488 20 0 GGADHM NC(=O)Cc1ccc(NC(=O)c2cc3cc(Br)sc3[n-]2)cc1 ZINC000646663124 567734793 /nfs/dbraw/zinc/73/47/93/567734793.db2.gz PQYADZZFFVJLMZ-UHFFFAOYSA-N -1 3 378.251 3.272 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)cc1Cl ZINC000532775323 567734779 /nfs/dbraw/zinc/73/47/79/567734779.db2.gz KHNQWHUINROHOK-AWEZNQCLSA-N -1 3 390.288 3.322 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccccc1OC(C)C ZINC000532775679 567734906 /nfs/dbraw/zinc/73/49/06/567734906.db2.gz CBZLXVBAUMLODV-GFCCVEGCSA-N -1 3 383.491 3.361 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F)c1 ZINC000508183835 567735316 /nfs/dbraw/zinc/73/53/16/567735316.db2.gz ZVSRLEOIIBBTPY-XHDPSFHLSA-N -1 3 381.416 3.048 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000443131920 567735735 /nfs/dbraw/zinc/73/57/35/567735735.db2.gz PLGZHWDPKJJBNB-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc(F)cc2nn[n-]c21 ZINC000554566666 567735759 /nfs/dbraw/zinc/73/57/59/567735759.db2.gz HUXCNEXWTDVJLB-WCQYABFASA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc(F)cc2[n-]nnc21 ZINC000554566666 567735762 /nfs/dbraw/zinc/73/57/62/567735762.db2.gz HUXCNEXWTDVJLB-WCQYABFASA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc(F)cc2n[n-]nc21 ZINC000554566666 567735764 /nfs/dbraw/zinc/73/57/64/567735764.db2.gz HUXCNEXWTDVJLB-WCQYABFASA-N -1 3 375.201 3.145 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F)c1 ZINC000508183827 567735964 /nfs/dbraw/zinc/73/59/64/567735964.db2.gz ZVSRLEOIIBBTPY-ABAIWWIYSA-N -1 3 381.416 3.048 20 0 GGADHM O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000646697968 567736043 /nfs/dbraw/zinc/73/60/43/567736043.db2.gz JNDRTEDDXGPAMM-CPFSXVBKSA-N -1 3 379.791 3.367 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000532790306 567736386 /nfs/dbraw/zinc/73/63/86/567736386.db2.gz KWTBQPFVKFKLOW-NWDGAFQWSA-N -1 3 378.947 3.012 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000508203000 567736609 /nfs/dbraw/zinc/73/66/09/567736609.db2.gz GRMXKUHVGFGZDM-CQSZACIVSA-N -1 3 383.432 3.487 20 0 GGADHM CCCC[C@H](C)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000461425438 567737135 /nfs/dbraw/zinc/73/71/35/567737135.db2.gz NQMKSMBMDRIKOF-LBPRGKRZSA-N -1 3 380.432 3.021 20 0 GGADHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000443179483 567737652 /nfs/dbraw/zinc/73/76/52/567737652.db2.gz GYUXQEVWXXFEGN-AWEZNQCLSA-N -1 3 390.288 3.020 20 0 GGADHM O=C(CCc1ccco1)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461471224 567737802 /nfs/dbraw/zinc/73/78/02/567737802.db2.gz BMENFWGYYISBHB-UHFFFAOYSA-N -1 3 386.832 3.084 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)ccc1C ZINC000508220088 567738069 /nfs/dbraw/zinc/73/80/69/567738069.db2.gz DMTIQLVZFLXVBN-HNNXBMFYSA-N -1 3 379.400 3.181 20 0 GGADHM CCCCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461470086 567738146 /nfs/dbraw/zinc/73/81/46/567738146.db2.gz DAFNPTNQFXIKPG-JTQLQIEISA-N -1 3 392.880 3.064 20 0 GGADHM Cc1cccc(C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)c1 ZINC000461468928 567738235 /nfs/dbraw/zinc/73/82/35/567738235.db2.gz GBHIEQZBGHYTMI-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000573828453 567738554 /nfs/dbraw/zinc/73/85/54/567738554.db2.gz SVCQCZZGWVUWMF-ANRSDYALSA-N -1 3 381.816 3.156 20 0 GGADHM CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000532839031 567738675 /nfs/dbraw/zinc/73/86/75/567738675.db2.gz GIGYCRCZIOZOIO-UHFFFAOYSA-N -1 3 382.873 3.453 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000573828454 567738906 /nfs/dbraw/zinc/73/89/06/567738906.db2.gz SVCQCZZGWVUWMF-AYVTZFPOSA-N -1 3 381.816 3.156 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1ccc(F)cc1Br ZINC000443210558 567739701 /nfs/dbraw/zinc/73/97/01/567739701.db2.gz JHKIWPMUMZQOGZ-CYBMUJFWSA-N -1 3 386.242 3.260 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)s1 ZINC000443208770 567739780 /nfs/dbraw/zinc/73/97/80/567739780.db2.gz PKJPUBWRGULHNM-GFCCVEGCSA-N -1 3 388.308 3.490 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000573849925 567739975 /nfs/dbraw/zinc/73/99/75/567739975.db2.gz RQYCTQCLOYFDQN-NHYWBVRUSA-N -1 3 391.320 3.063 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1cc(Br)ccc1F ZINC000443204552 567739984 /nfs/dbraw/zinc/73/99/84/567739984.db2.gz QCDLZKJBYFMRPU-ZDUSSCGKSA-N -1 3 386.242 3.260 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000532855824 567739998 /nfs/dbraw/zinc/73/99/98/567739998.db2.gz ZLPOPECPHFTHFO-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1cncc(Cl)c1 ZINC000532854143 567740451 /nfs/dbraw/zinc/74/04/51/567740451.db2.gz DAHRJXZGUIXKLC-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM CSc1ccccc1[C@H](C)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000508298164 567741020 /nfs/dbraw/zinc/74/10/20/567741020.db2.gz IDJFKXNRZNHYSJ-NSHDSACASA-N -1 3 382.482 3.410 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2cc(Br)cc(F)c2C1 ZINC000573860960 567741055 /nfs/dbraw/zinc/74/10/55/567741055.db2.gz DYBFAGPQZCIFKO-UHFFFAOYSA-N -1 3 392.228 3.160 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1 ZINC000443221728 567741257 /nfs/dbraw/zinc/74/12/57/567741257.db2.gz MAVVWUDIQHHYSS-OAHLLOKOSA-N -1 3 379.865 3.277 20 0 GGADHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1c(Cl)ccc2ccccc21 ZINC000443226661 567741342 /nfs/dbraw/zinc/74/13/42/567741342.db2.gz QPQWMILGTRZYDO-MRXNPFEDSA-N -1 3 375.877 3.375 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000443241243 567742388 /nfs/dbraw/zinc/74/23/88/567742388.db2.gz ALDYYCVNMKNNEK-XJKSGUPXSA-N -1 3 379.865 3.036 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)cc1Cl ZINC000443263507 567743436 /nfs/dbraw/zinc/74/34/36/567743436.db2.gz AUCSGYMTTXVFOX-ZDUSSCGKSA-N -1 3 394.251 3.153 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000554707275 567744309 /nfs/dbraw/zinc/74/43/09/567744309.db2.gz HDALXXRRKVZKHV-BDJLRTHQSA-N -1 3 382.279 3.391 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)s1 ZINC000443277167 567744764 /nfs/dbraw/zinc/74/47/64/567744764.db2.gz SAJAPRDOCLQVPH-GFCCVEGCSA-N -1 3 375.462 3.336 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H](CO)c1cccc(F)c1 ZINC000443272860 567744930 /nfs/dbraw/zinc/74/49/30/567744930.db2.gz UKZMIJHYHHATBO-OAHLLOKOSA-N -1 3 378.252 3.286 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443274499 567745108 /nfs/dbraw/zinc/74/51/08/567745108.db2.gz QMICHRGWKHCCAV-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1ccc(F)cc1C(F)(F)F ZINC000443268763 567745343 /nfs/dbraw/zinc/74/53/43/567745343.db2.gz GHHCREFCLWLVON-UHFFFAOYSA-N -1 3 377.359 3.461 20 0 GGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(F)cc1 ZINC000573944571 567746200 /nfs/dbraw/zinc/74/62/00/567746200.db2.gz BDGBSIITGLNASB-CQSZACIVSA-N -1 3 392.830 3.339 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1cc(Br)ccc1F ZINC000443286591 567746709 /nfs/dbraw/zinc/74/67/09/567746709.db2.gz VQQSREAWTATGGN-UHFFFAOYSA-N -1 3 388.258 3.205 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443304738 567747373 /nfs/dbraw/zinc/74/73/73/567747373.db2.gz ULMIAHGLPXTFEB-ZANVPECISA-N -1 3 384.723 3.178 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1C[C@@]12CCOC2 ZINC000461756374 567747555 /nfs/dbraw/zinc/74/75/55/567747555.db2.gz VYATVAAYPWIQMS-BDJLRTHQSA-N -1 3 396.672 3.280 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443322088 567748038 /nfs/dbraw/zinc/74/80/38/567748038.db2.gz RHVBMQBZYLQJGX-MWLCHTKSSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)s1 ZINC000443323390 567748416 /nfs/dbraw/zinc/74/84/16/567748416.db2.gz RILYXQRKTXCRLJ-CYBMUJFWSA-N -1 3 396.372 3.429 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1ccc(Br)s1 ZINC000443316633 567748778 /nfs/dbraw/zinc/74/87/78/567748778.db2.gz WDPPGFWBWUEYSF-NSHDSACASA-N -1 3 382.345 3.120 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000443340600 567749753 /nfs/dbraw/zinc/74/97/53/567749753.db2.gz ANZBNXWEXMNKBW-HNNXBMFYSA-N -1 3 382.507 3.304 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000443342771 567750116 /nfs/dbraw/zinc/75/01/16/567750116.db2.gz FTLOXHZPTIDLNU-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM C[C@H]1[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)C1(F)F ZINC000461872774 567750504 /nfs/dbraw/zinc/75/05/04/567750504.db2.gz XFZTXAMUXSQQAD-CDUCUWFYSA-N -1 3 375.148 3.213 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C)c(OC)cc1Br ZINC000461841083 567750526 /nfs/dbraw/zinc/75/05/26/567750526.db2.gz PUGNBJRDPMRKGA-GHMZBOCLSA-N -1 3 392.315 3.181 20 0 GGADHM COc1ccc(CNc2ccc(Cn3ccnc3)cn2)c(Br)c1[O-] ZINC000508493833 567750926 /nfs/dbraw/zinc/75/09/26/567750926.db2.gz YLWURMINQFRZMP-UHFFFAOYSA-N -1 3 389.253 3.415 20 0 GGADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000461823198 567751102 /nfs/dbraw/zinc/75/11/02/567751102.db2.gz XQQZAGHUTUEPKH-QLFBSQMISA-N -1 3 387.929 3.470 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000443345484 567751165 /nfs/dbraw/zinc/75/11/65/567751165.db2.gz KVARYKWKWZFXBJ-OLZOCXBDSA-N -1 3 391.942 3.469 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000443344671 567751259 /nfs/dbraw/zinc/75/12/59/567751259.db2.gz IYPNWGPBMOLTNI-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C)c(OC)cc1Br ZINC000461841086 567751362 /nfs/dbraw/zinc/75/13/62/567751362.db2.gz PUGNBJRDPMRKGA-WDEREUQCSA-N -1 3 392.315 3.181 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@H]2O)cc1Cl ZINC000443352318 567751410 /nfs/dbraw/zinc/75/14/10/567751410.db2.gz CRPSTQMWPKPRJQ-CABCVRRESA-N -1 3 382.309 3.222 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000443345487 567751514 /nfs/dbraw/zinc/75/15/14/567751514.db2.gz KVARYKWKWZFXBJ-STQMWFEESA-N -1 3 391.942 3.469 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)C1CC1 ZINC000574035582 567752096 /nfs/dbraw/zinc/75/20/96/567752096.db2.gz CGSXFUGFVDGUCB-AWEZNQCLSA-N -1 3 396.734 3.337 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)s1 ZINC000443360782 567752263 /nfs/dbraw/zinc/75/22/63/567752263.db2.gz SSLWSNWSRNPVRQ-DGCLKSJQSA-N -1 3 382.345 3.039 20 0 GGADHM Cn1cc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000508521150 567752742 /nfs/dbraw/zinc/75/27/42/567752742.db2.gz UDSVFCINMPMVRE-UHFFFAOYSA-N -1 3 381.807 3.003 20 0 GGADHM CCC(CC)N(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000533113172 567752893 /nfs/dbraw/zinc/75/28/93/567752893.db2.gz LFOSSOMVSPZHTI-UHFFFAOYSA-N -1 3 393.962 3.042 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000443394656 567753436 /nfs/dbraw/zinc/75/34/36/567753436.db2.gz ZMYKCGONZIJIHV-SNVBAGLBSA-N -1 3 377.359 3.460 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000443383867 567753561 /nfs/dbraw/zinc/75/35/61/567753561.db2.gz KIZKWURSESBQSS-JTQLQIEISA-N -1 3 377.359 3.460 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)sc1Br ZINC000443387439 567753693 /nfs/dbraw/zinc/75/36/93/567753693.db2.gz OCBGFNNZJYCNLB-SNVBAGLBSA-N -1 3 390.324 3.434 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000443389152 567753814 /nfs/dbraw/zinc/75/38/14/567753814.db2.gz UZVSZGDYBGSLEN-JTQLQIEISA-N -1 3 388.258 3.203 20 0 GGADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(Br)cc1Cl ZINC000443390885 567754026 /nfs/dbraw/zinc/75/40/26/567754026.db2.gz TXSGGFCCKINSLU-ZDUSSCGKSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1csc(-c2ccccc2)n1 ZINC000533149879 567755446 /nfs/dbraw/zinc/75/54/46/567755446.db2.gz VRVJANJYGQIEJV-NUEKZKHPSA-N -1 3 376.503 3.046 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccc(F)c(Br)c2)s1 ZINC000533176585 567756132 /nfs/dbraw/zinc/75/61/32/567756132.db2.gz NMAOZJVAIAOSEQ-MRVPVSSYSA-N -1 3 393.303 3.263 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCOCC2)s1 ZINC000533174911 567756569 /nfs/dbraw/zinc/75/65/69/567756569.db2.gz PQOYCICFPAGSPU-UHFFFAOYSA-N -1 3 386.926 3.132 20 0 GGADHM CCSC1(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000598327494 567757424 /nfs/dbraw/zinc/75/74/24/567757424.db2.gz GQJYCBRCMVHINK-UHFFFAOYSA-N -1 3 396.456 3.092 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C1=Cc2cc(Br)ccc2OC1 ZINC000533189406 567757592 /nfs/dbraw/zinc/75/75/92/567757592.db2.gz TZLJGANIRRYCAT-UHFFFAOYSA-N -1 3 378.197 3.386 20 0 GGADHM CCCCCNC(=O)C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000624090648 567758970 /nfs/dbraw/zinc/75/89/70/567758970.db2.gz CRDFVLWVCTYAFW-UHFFFAOYSA-N -1 3 397.313 3.313 20 0 GGADHM COC[C@H](C)[C@@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000462027406 567759429 /nfs/dbraw/zinc/75/94/29/567759429.db2.gz MOYMUIHDLOCINQ-VHSXEESVSA-N -1 3 384.249 3.257 20 0 GGADHM COC[C@@H](C)[C@@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000462027404 567759631 /nfs/dbraw/zinc/75/96/31/567759631.db2.gz MOYMUIHDLOCINQ-NXEZZACHSA-N -1 3 384.249 3.257 20 0 GGADHM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCCC1CCOCC1 ZINC000574165321 567759792 /nfs/dbraw/zinc/75/97/92/567759792.db2.gz VGLPOYSNHYGVTE-QGZVFWFLSA-N -1 3 382.298 3.467 20 0 GGADHM COc1ccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)nc1 ZINC000462029030 567760094 /nfs/dbraw/zinc/76/00/94/567760094.db2.gz RLXSZRQQMFSKMM-UHFFFAOYSA-N -1 3 391.200 3.056 20 0 GGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1Br)CO2 ZINC000533253154 567760506 /nfs/dbraw/zinc/76/05/06/567760506.db2.gz HGGLHDOFFGMJAZ-ZDUSSCGKSA-N -1 3 382.279 3.478 20 0 GGADHM COc1ccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)cc1OCC(F)(F)F ZINC000647123848 567761376 /nfs/dbraw/zinc/76/13/76/567761376.db2.gz AKGIVQATAPSSLD-AWEZNQCLSA-N -1 3 385.404 3.049 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1C1CCC1 ZINC000555010382 567762496 /nfs/dbraw/zinc/76/24/96/567762496.db2.gz NUYQRZFKQRUCJW-HNNXBMFYSA-N -1 3 391.320 3.063 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CCC1 ZINC000443493766 567762982 /nfs/dbraw/zinc/76/29/82/567762982.db2.gz XWDQHXVRCLFSPX-UHFFFAOYSA-N -1 3 379.503 3.226 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)CCS2)C(C)C ZINC000647132757 567762993 /nfs/dbraw/zinc/76/29/93/567762993.db2.gz YQFDGXIDEJEEOR-CQSZACIVSA-N -1 3 394.509 3.277 20 0 GGADHM CCN(Cc1ccccc1)S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000443511712 567764042 /nfs/dbraw/zinc/76/40/42/567764042.db2.gz QZOJQCGWMALBTH-UHFFFAOYSA-N -1 3 399.310 3.011 20 0 GGADHM COCCOCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508727846 567764377 /nfs/dbraw/zinc/76/43/77/567764377.db2.gz VIHBTBBAESOWIR-UHFFFAOYSA-N -1 3 389.823 3.080 20 0 GGADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)OC ZINC000443510254 567764482 /nfs/dbraw/zinc/76/44/82/567764482.db2.gz PJZPDKNNMQULHT-OAHLLOKOSA-N -1 3 391.917 3.246 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000508788396 567766145 /nfs/dbraw/zinc/76/61/45/567766145.db2.gz GJSJQQPDWDNQNP-UHFFFAOYSA-N -1 3 380.897 3.003 20 0 GGADHM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000574256486 567766332 /nfs/dbraw/zinc/76/63/32/567766332.db2.gz KCPAQNFCOBETAQ-VIFPVBQESA-N -1 3 378.841 3.137 20 0 GGADHM Cc1ncsc1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000574245968 567766438 /nfs/dbraw/zinc/76/64/38/567766438.db2.gz JEKKHLSNIIIXNX-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000508804955 567766810 /nfs/dbraw/zinc/76/68/10/567766810.db2.gz DOYXODFGAUYUFY-JTQLQIEISA-N -1 3 382.835 3.121 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000508804956 567766940 /nfs/dbraw/zinc/76/69/40/567766940.db2.gz DOYXODFGAUYUFY-SNVBAGLBSA-N -1 3 382.835 3.121 20 0 GGADHM COc1ccc(NC(=O)c2ccc(I)c(F)c2)c([O-])c1 ZINC000443564144 567766934 /nfs/dbraw/zinc/76/69/34/567766934.db2.gz AKHJTLLBQXYFLE-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM COc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c([O-])c1 ZINC000443555610 567767007 /nfs/dbraw/zinc/76/70/07/567767007.db2.gz DQLJXTLXKOFXKG-UHFFFAOYSA-N -1 3 394.221 3.116 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCCN1CCc2c(Cl)cccc2C1 ZINC000443565486 567767193 /nfs/dbraw/zinc/76/71/93/567767193.db2.gz HDDHUQVBUUUVSX-UHFFFAOYSA-N -1 3 379.287 3.416 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)s1 ZINC000462076996 567767239 /nfs/dbraw/zinc/76/72/39/567767239.db2.gz UDWQDMWLMDHMJV-JTQLQIEISA-N -1 3 385.816 3.432 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)s1 ZINC000624210036 567767810 /nfs/dbraw/zinc/76/78/10/567767810.db2.gz TUIZCJRXIHGYAQ-UONOGXRCSA-N -1 3 380.535 3.417 20 0 GGADHM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462084357 567768199 /nfs/dbraw/zinc/76/81/99/567768199.db2.gz NDJUCQVJPOOBQL-UHFFFAOYSA-N -1 3 398.472 3.132 20 0 GGADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462084631 567768483 /nfs/dbraw/zinc/76/84/83/567768483.db2.gz OQACTSKWEJCXAG-UHFFFAOYSA-N -1 3 380.413 3.429 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000462086736 567768529 /nfs/dbraw/zinc/76/85/29/567768529.db2.gz WLXMXPWDWJZBNT-GFCCVEGCSA-N -1 3 396.431 3.487 20 0 GGADHM C[C@](CO)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000462083591 567768589 /nfs/dbraw/zinc/76/85/89/567768589.db2.gz IIYTWHUWIQQGMD-OAHLLOKOSA-N -1 3 393.452 3.287 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2ccccc2Br)cnn1-c1ccccn1 ZINC000462081100 567768603 /nfs/dbraw/zinc/76/86/03/567768603.db2.gz ZJHWTAPDYYWOHG-UHFFFAOYSA-N -1 3 393.266 3.139 20 0 GGADHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462080695 567768623 /nfs/dbraw/zinc/76/86/23/567768623.db2.gz XKQFOKOMYDLLIQ-NOZJJQNGSA-N -1 3 385.429 3.167 20 0 GGADHM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000462083689 567768729 /nfs/dbraw/zinc/76/87/29/567768729.db2.gz LQQGMZSRJUCEIB-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)N1CCCCC1 ZINC000508836914 567768971 /nfs/dbraw/zinc/76/89/71/567768971.db2.gz FOIDRPIKSYYGHJ-JTQLQIEISA-N -1 3 398.834 3.038 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccc(F)cc1 ZINC000462098094 567770911 /nfs/dbraw/zinc/77/09/11/567770911.db2.gz TVVAXLNWFZGKLT-UHFFFAOYSA-N -1 3 396.431 3.316 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C(F)(F)F)s1 ZINC000462096154 567770985 /nfs/dbraw/zinc/77/09/85/567770985.db2.gz CGSUDHFHSDGFFK-NSHDSACASA-N -1 3 397.415 3.036 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)Nc1ccccc1 ZINC000462100624 567771150 /nfs/dbraw/zinc/77/11/50/567771150.db2.gz GKSJTTMPJYXFIH-SECBINFHSA-N -1 3 378.397 3.072 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC ZINC000508873599 567771885 /nfs/dbraw/zinc/77/18/85/567771885.db2.gz OXQAGBFWASVWOZ-UFBFGSQYSA-N -1 3 387.807 3.225 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1ccc(C(F)(F)F)s1 ZINC000462101743 567772105 /nfs/dbraw/zinc/77/21/05/567772105.db2.gz KFAVJDUNWPRAFG-WDEREUQCSA-N -1 3 379.429 3.426 20 0 GGADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443718035 567772139 /nfs/dbraw/zinc/77/21/39/567772139.db2.gz KWNDHAMEGFUIJC-LBPRGKRZSA-N -1 3 385.532 3.384 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)OC ZINC000443708512 567772174 /nfs/dbraw/zinc/77/21/74/567772174.db2.gz OACZZYVVMQKEIN-CYBMUJFWSA-N -1 3 398.706 3.113 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000443724502 567772297 /nfs/dbraw/zinc/77/22/97/567772297.db2.gz ZGZPCFCOEXMHGO-QMMMGPOBSA-N -1 3 391.262 3.275 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1ccc(C(F)(F)F)s1 ZINC000462101740 567772524 /nfs/dbraw/zinc/77/25/24/567772524.db2.gz KFAVJDUNWPRAFG-GHMZBOCLSA-N -1 3 379.429 3.426 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCCC[C@@H]1c1ccccc1 ZINC000574332668 567772518 /nfs/dbraw/zinc/77/25/18/567772518.db2.gz AZGMSBWILGHXQR-MRXNPFEDSA-N -1 3 378.519 3.170 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CCCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000462101320 567772669 /nfs/dbraw/zinc/77/26/69/567772669.db2.gz ITOLEZRXSPDLQX-LBPRGKRZSA-N -1 3 382.473 3.310 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)c1ccc(C(F)(F)F)s1 ZINC000462104485 567772729 /nfs/dbraw/zinc/77/27/29/567772729.db2.gz KYPDJGCOFCNUFS-VIFPVBQESA-N -1 3 387.351 3.057 20 0 GGADHM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000462101288 567772739 /nfs/dbraw/zinc/77/27/39/567772739.db2.gz KQTMRARRWHQZKL-UHFFFAOYSA-N -1 3 395.424 3.305 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H](O)Cc1ccccc1 ZINC000462108630 567773467 /nfs/dbraw/zinc/77/34/67/567773467.db2.gz GKUJRRPIEILWNQ-PWSUYJOCSA-N -1 3 379.425 3.037 20 0 GGADHM CC[C@H](NCc1cc([O-])ccc1Br)C(=O)NCc1cccs1 ZINC000647241061 567773931 /nfs/dbraw/zinc/77/39/31/567773931.db2.gz CKOBBEYVTAZAIM-HNNXBMFYSA-N -1 3 383.311 3.401 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000533552009 567774189 /nfs/dbraw/zinc/77/41/89/567774189.db2.gz KVACVGBGDCIIMV-GFCCVEGCSA-N -1 3 376.261 3.014 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000533547477 567774267 /nfs/dbraw/zinc/77/42/67/567774267.db2.gz PAGKGQPDEGDMGC-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Br)c1 ZINC000555194969 567774316 /nfs/dbraw/zinc/77/43/16/567774316.db2.gz FPMYUHJVKFCLMX-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c(C)cn1 ZINC000533549031 567774374 /nfs/dbraw/zinc/77/43/74/567774374.db2.gz APHKXIPXUZLSIB-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1ccc(C(F)(F)F)s1 ZINC000462113307 567775048 /nfs/dbraw/zinc/77/50/48/567775048.db2.gz SFBFZKMPKBKYGP-UHFFFAOYSA-N -1 3 391.440 3.241 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443753959 567775124 /nfs/dbraw/zinc/77/51/24/567775124.db2.gz JNLOAUXPWQEIGS-UWVGGRQHSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000533562996 567775498 /nfs/dbraw/zinc/77/54/98/567775498.db2.gz VDRARJZBNKYERR-UHFFFAOYSA-N -1 3 398.859 3.488 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)cc1Cl ZINC000533554126 567775522 /nfs/dbraw/zinc/77/55/22/567775522.db2.gz YZEBONYECOCNFU-CYBMUJFWSA-N -1 3 382.309 3.222 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1sccc1C1CC1 ZINC000533566962 567775704 /nfs/dbraw/zinc/77/57/04/567775704.db2.gz OPLHQUIQSXWFOR-UHFFFAOYSA-N -1 3 390.939 3.049 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000533553114 567775816 /nfs/dbraw/zinc/77/58/16/567775816.db2.gz QZJXFHAVHRMSTA-OAHLLOKOSA-N -1 3 390.288 3.155 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1nc(-c2ccccc2)cs1 ZINC000443773045 567775823 /nfs/dbraw/zinc/77/58/23/567775823.db2.gz OXPAVZUHDOLPIH-JTQLQIEISA-N -1 3 394.909 3.480 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)s1 ZINC000533554653 567775921 /nfs/dbraw/zinc/77/59/21/567775921.db2.gz VJTVYUSLXOPIRJ-ZDUSSCGKSA-N -1 3 390.324 3.139 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443773167 567776179 /nfs/dbraw/zinc/77/61/79/567776179.db2.gz PIMYXLBSFQNCEO-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000533577881 567776928 /nfs/dbraw/zinc/77/69/28/567776928.db2.gz PDGMWWZVRUGXDY-GWCFXTLKSA-N -1 3 383.853 3.322 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000533579626 567777056 /nfs/dbraw/zinc/77/70/56/567777056.db2.gz LNCCXEYIDBEZDB-UONOGXRCSA-N -1 3 384.299 3.061 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@@H]3CCO[C@H]3C)nc(=O)c2c1C ZINC000533625821 567778606 /nfs/dbraw/zinc/77/86/06/567778606.db2.gz ULEVHPKMVIJKKX-GARJFASQSA-N -1 3 382.507 3.441 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632865 567778995 /nfs/dbraw/zinc/77/89/95/567778995.db2.gz IRTTVHPHHALLLU-WMLDXEAASA-N -1 3 379.913 3.066 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(F)cc1F ZINC000555319652 567779164 /nfs/dbraw/zinc/77/91/64/567779164.db2.gz WRZKAMMEKKRTBW-LLVKDONJSA-N -1 3 383.342 3.147 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)sc1Br ZINC000443895939 567779230 /nfs/dbraw/zinc/77/92/30/567779230.db2.gz LCIRYBBIPSIAEJ-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(F)(F)F ZINC000443933470 567780166 /nfs/dbraw/zinc/78/01/66/567780166.db2.gz DSSINTIAVNVAJQ-ZUZCIYMTSA-N -1 3 378.416 3.217 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)COc2ccccc2C(F)(F)F)s1 ZINC000533634162 567780087 /nfs/dbraw/zinc/78/00/87/567780087.db2.gz PFFLKLPDTHARNI-SECBINFHSA-N -1 3 380.413 3.216 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2)c1 ZINC000443934898 567780250 /nfs/dbraw/zinc/78/02/50/567780250.db2.gz JZAGQXHVKVGCTB-GFCCVEGCSA-N -1 3 386.315 3.341 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F ZINC000443924289 567780308 /nfs/dbraw/zinc/78/03/08/567780308.db2.gz DJZNZQIHJBESDR-ABAIWWIYSA-N -1 3 378.416 3.069 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(F)(F)F ZINC000443933469 567780391 /nfs/dbraw/zinc/78/03/91/567780391.db2.gz DSSINTIAVNVAJQ-MEBBXXQBSA-N -1 3 378.416 3.217 20 0 GGADHM CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@@H](O)C1CC1 ZINC000668167174 567799441 /nfs/dbraw/zinc/79/94/41/567799441.db2.gz VUPXAHGMYQOMNI-GFCCVEGCSA-N -1 3 379.092 3.120 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC000555371476 567781339 /nfs/dbraw/zinc/78/13/39/567781339.db2.gz IJKBWRCZUVATOS-HNNXBMFYSA-N -1 3 389.304 3.427 20 0 GGADHM C[C@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000647368069 567782057 /nfs/dbraw/zinc/78/20/57/567782057.db2.gz RVJNAIYJEAFTQG-BLLLJJGKSA-N -1 3 390.281 3.449 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1c(Cl)ccc2ccccc21 ZINC000533696730 567782722 /nfs/dbraw/zinc/78/27/22/567782722.db2.gz XJZPPYBIJYIROZ-CYBMUJFWSA-N -1 3 379.865 3.216 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000533699598 567782861 /nfs/dbraw/zinc/78/28/61/567782861.db2.gz YNFIIQFJYADQLW-BZNIZROVSA-N -1 3 385.844 3.308 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1cccc(Cl)c1 ZINC000533700227 567783189 /nfs/dbraw/zinc/78/31/89/567783189.db2.gz QXDVVWDUIIBWRO-CQSZACIVSA-N -1 3 391.251 3.028 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1cc2ccccc2s1 ZINC000555414855 567783484 /nfs/dbraw/zinc/78/34/84/567783484.db2.gz MFIHYTZWNWKYLI-UHFFFAOYSA-N -1 3 381.500 3.270 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(C)(C)O ZINC000555421461 567783572 /nfs/dbraw/zinc/78/35/72/567783572.db2.gz QADSPYXWRQKBGG-MRXNPFEDSA-N -1 3 375.918 3.347 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCN2CCCC(C)(C)C2)s1 ZINC000443967397 567783702 /nfs/dbraw/zinc/78/37/02/567783702.db2.gz ZSZZYYBUYYSVQC-UHFFFAOYSA-N -1 3 395.388 3.219 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc2n[n-]nc2c1 ZINC000533716298 567784074 /nfs/dbraw/zinc/78/40/74/567784074.db2.gz GWHNOJMOGHUZAI-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccco1 ZINC000443988254 567784371 /nfs/dbraw/zinc/78/43/71/567784371.db2.gz LTCDYNWNBMGVKE-LBPRGKRZSA-N -1 3 380.363 3.019 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000533709697 567784511 /nfs/dbraw/zinc/78/45/11/567784511.db2.gz FBLPMXNKWRUDGV-OAHLLOKOSA-N -1 3 389.807 3.201 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)ccc1F ZINC000444027013 567785591 /nfs/dbraw/zinc/78/55/91/567785591.db2.gz BBDGVJHYVWPIBV-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C)C2)c(OC)cc1Br ZINC000444059895 567787829 /nfs/dbraw/zinc/78/78/29/567787829.db2.gz SYZMMODLNWTOSM-QWRGUYRKSA-N -1 3 392.315 3.323 20 0 GGADHM O=C(NC[C@H]1CC12CC2)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000668016321 567788818 /nfs/dbraw/zinc/78/88/18/567788818.db2.gz IXUXAYFYUYCFQR-CYBMUJFWSA-N -1 3 382.551 3.279 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)[C@H]2CCCO[C@@H]21 ZINC000444068422 567789027 /nfs/dbraw/zinc/78/90/27/567789027.db2.gz BTRHCGTYKWNNMR-HONMWMINSA-N -1 3 381.391 3.326 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCC[C@@H](F)C2)cc(C(F)(F)F)c1 ZINC000574641918 567789046 /nfs/dbraw/zinc/78/90/46/567789046.db2.gz YIDCYIHXHJFOCU-VXGBXAGGSA-N -1 3 382.379 3.087 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000444076740 567790259 /nfs/dbraw/zinc/79/02/59/567790259.db2.gz LLSGCOCMOUZXEH-GFCCVEGCSA-N -1 3 380.407 3.140 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1ccc(C(F)(F)F)cc1F ZINC000444072715 567790340 /nfs/dbraw/zinc/79/03/40/567790340.db2.gz OKDFXTABUSBCFB-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCOCC1 ZINC000444080075 567790864 /nfs/dbraw/zinc/79/08/64/567790864.db2.gz RAUOQBIMTQOQLB-UHFFFAOYSA-N -1 3 387.420 3.035 20 0 GGADHM CCCC1(C[N-]S(=O)(=O)c2cc(OC)c(Br)cc2OC)CC1 ZINC000444081838 567791074 /nfs/dbraw/zinc/79/10/74/567791074.db2.gz FXCCAXFPBMIDTI-UHFFFAOYSA-N -1 3 392.315 3.325 20 0 GGADHM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000533883817 567791810 /nfs/dbraw/zinc/79/18/10/567791810.db2.gz DEOLMJRYECLJPD-UHFFFAOYSA-N -1 3 387.860 3.407 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1nnc2ccccn21 ZINC000444092779 567792539 /nfs/dbraw/zinc/79/25/39/567792539.db2.gz VNPOEZLHCJNJNN-ZDUSSCGKSA-N -1 3 376.507 3.271 20 0 GGADHM O=S(=O)(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2c([n-]1)CCC2 ZINC000555617901 567792624 /nfs/dbraw/zinc/79/26/24/567792624.db2.gz KWRCXWXXTJYWIH-UHFFFAOYSA-N -1 3 399.259 3.229 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000533909106 567792907 /nfs/dbraw/zinc/79/29/07/567792907.db2.gz RUQDUEREIGPFCO-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM Cc1occc1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000624642295 567793216 /nfs/dbraw/zinc/79/32/16/567793216.db2.gz FEWXDNBNARGTQI-UHFFFAOYSA-N -1 3 396.515 3.120 20 0 GGADHM CC(C)C[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000574712831 567793514 /nfs/dbraw/zinc/79/35/14/567793514.db2.gz YKJATSPBECSGQQ-LLVKDONJSA-N -1 3 396.340 3.006 20 0 GGADHM Cc1nc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c(C)o1 ZINC000555684582 567794144 /nfs/dbraw/zinc/79/41/44/567794144.db2.gz BHRSGMRNPIKPKX-UHFFFAOYSA-N -1 3 379.189 3.257 20 0 GGADHM O=C([O-])[C@@H](Cc1ccco1)NCc1cc(OC(F)F)ccc1Br ZINC000647645625 567794570 /nfs/dbraw/zinc/79/45/70/567794570.db2.gz IRFJFCIQTCTOBV-CYBMUJFWSA-N -1 3 390.180 3.429 20 0 GGADHM Cn1cc(Br)c(=NC(=O)C2(c3ccc(F)cc3F)CCCC2)[n-]1 ZINC000574758138 567795477 /nfs/dbraw/zinc/79/54/77/567795477.db2.gz SFCBBZHQXQXSHX-UHFFFAOYSA-N -1 3 384.224 3.333 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccco1 ZINC000444196959 567796334 /nfs/dbraw/zinc/79/63/34/567796334.db2.gz QUMHZKYPTQKIFU-LBPRGKRZSA-N -1 3 381.347 3.494 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCC1 ZINC000444205769 567797378 /nfs/dbraw/zinc/79/73/78/567797378.db2.gz OAMNQNHHZLOECJ-NSHDSACASA-N -1 3 383.407 3.312 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO[C@H]1C1CC1 ZINC000444211611 567797545 /nfs/dbraw/zinc/79/75/45/567797545.db2.gz KLNYCKPBOITNCJ-GJZGRUSLSA-N -1 3 381.391 3.328 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C2)c(Br)c1 ZINC000444216523 567797958 /nfs/dbraw/zinc/79/79/58/567797958.db2.gz CMLQBKHHYGMMPN-ZYHUDNBSSA-N -1 3 390.299 3.093 20 0 GGADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[nH]cn1 ZINC000444215670 567798216 /nfs/dbraw/zinc/79/82/16/567798216.db2.gz GPKRBJUWVNRXBJ-JTQLQIEISA-N -1 3 387.305 3.401 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)cc2cccnc21 ZINC000534064744 567798695 /nfs/dbraw/zinc/79/86/95/567798695.db2.gz BCKWUYOONSUARD-UHFFFAOYSA-N -1 3 386.131 3.387 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)cc2cccnc21 ZINC000534064744 567798698 /nfs/dbraw/zinc/79/86/98/567798698.db2.gz BCKWUYOONSUARD-UHFFFAOYSA-N -1 3 386.131 3.387 20 0 GGADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000534111793 567799676 /nfs/dbraw/zinc/79/96/76/567799676.db2.gz BYSMEJVSPVWVSE-LLVKDONJSA-N -1 3 381.259 3.176 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)s2)c1 ZINC000444292410 567799989 /nfs/dbraw/zinc/79/99/89/567799989.db2.gz XILQYVYSWGIKCU-JTQLQIEISA-N -1 3 392.344 3.403 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000574860588 567801099 /nfs/dbraw/zinc/80/10/99/567801099.db2.gz PIQDLQJZBAYSHD-XJKSGUPXSA-N -1 3 382.279 3.130 20 0 GGADHM O=C(CCOc1cccc(Br)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801750 567801675 /nfs/dbraw/zinc/80/16/75/567801675.db2.gz TVUNCVMBSMXVCI-UHFFFAOYSA-N -1 3 376.210 3.439 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)C)C1 ZINC000668241557 567802188 /nfs/dbraw/zinc/80/21/88/567802188.db2.gz FEEFRRKWAYWADV-BETUJISGSA-N -1 3 392.315 3.082 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCCN3C2=O)c1Cl ZINC000668230021 567802198 /nfs/dbraw/zinc/80/21/98/567802198.db2.gz ZBFIGKGZXMYVMK-WCQYABFASA-N -1 3 391.320 3.042 20 0 GGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C1=Cc2cc(Br)ccc2OC1 ZINC000647799949 567802178 /nfs/dbraw/zinc/80/21/78/567802178.db2.gz LMRVJGIZJCYIDI-UHFFFAOYSA-N -1 3 386.205 3.446 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)cs1 ZINC000624829755 567802254 /nfs/dbraw/zinc/80/22/54/567802254.db2.gz DKIDIFSVNBZARX-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)cs1 ZINC000624864908 567803802 /nfs/dbraw/zinc/80/38/02/567803802.db2.gz KBFHLBBAZUYUOX-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1cccs1 ZINC000647891211 567804663 /nfs/dbraw/zinc/80/46/63/567804663.db2.gz RGBPFKMDAQWXAA-AWEZNQCLSA-N -1 3 393.559 3.453 20 0 GGADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000668268892 567804945 /nfs/dbraw/zinc/80/49/45/567804945.db2.gz OGKJUAKAEAMWIS-WDEREUQCSA-N -1 3 380.329 3.055 20 0 GGADHM O=S(=O)([N-]CCO[C@H]1CCCCO1)c1cc2cc(Cl)ccc2s1 ZINC000647885192 567805261 /nfs/dbraw/zinc/80/52/61/567805261.db2.gz JPJUXFJAZYLMPE-AWEZNQCLSA-N -1 3 375.899 3.376 20 0 GGADHM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cccnc1OCC(F)F ZINC000647891998 567805297 /nfs/dbraw/zinc/80/52/97/567805297.db2.gz QXXFAUKRKRDMHV-LBPRGKRZSA-N -1 3 386.445 3.241 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000647891365 567805334 /nfs/dbraw/zinc/80/53/34/567805334.db2.gz YEGZLXBRKYVHNN-SSDOTTSWSA-N -1 3 387.305 3.487 20 0 GGADHM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cccnc1OCC(F)F ZINC000647891997 567805336 /nfs/dbraw/zinc/80/53/36/567805336.db2.gz QXXFAUKRKRDMHV-GFCCVEGCSA-N -1 3 386.445 3.241 20 0 GGADHM C[C@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCC1=O ZINC000534276027 567805538 /nfs/dbraw/zinc/80/55/38/567805538.db2.gz AJOAADNVFWNJFR-DTWKUNHWSA-N -1 3 395.232 3.317 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccsc1 ZINC000647895329 567806008 /nfs/dbraw/zinc/80/60/08/567806008.db2.gz QOXXDNKBVHIAEX-OAHLLOKOSA-N -1 3 393.559 3.453 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000647895824 567806051 /nfs/dbraw/zinc/80/60/51/567806051.db2.gz KLQAEGSOSNDIEL-ZETCQYMHSA-N -1 3 385.314 3.069 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)CC(F)(F)F ZINC000668311402 567806333 /nfs/dbraw/zinc/80/63/33/567806333.db2.gz IQROGPOWPXNFCN-ONGXEEELSA-N -1 3 386.461 3.202 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C)o1 ZINC000534304387 567806620 /nfs/dbraw/zinc/80/66/20/567806620.db2.gz MGZIYZNPOPBKOL-UHFFFAOYSA-N -1 3 383.520 3.306 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CS[C@@H](C)C1 ZINC000668305927 567806790 /nfs/dbraw/zinc/80/67/90/567806790.db2.gz BXSJQJHLUPYGFV-ONGXEEELSA-N -1 3 380.329 3.020 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)C1(OC)CCC1 ZINC000668325743 567807013 /nfs/dbraw/zinc/80/70/13/567807013.db2.gz SJJLJWBHLJYCII-NSHDSACASA-N -1 3 392.315 3.084 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000647922093 567807113 /nfs/dbraw/zinc/80/71/13/567807113.db2.gz GIVSHHXFVDPEDO-JKSUJKDBSA-N -1 3 388.917 3.178 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575003064 567807839 /nfs/dbraw/zinc/80/78/39/567807839.db2.gz CDACWPRMHUPBCY-NEPJUHHUSA-N -1 3 391.320 3.205 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575003065 567808279 /nfs/dbraw/zinc/80/82/79/567808279.db2.gz CDACWPRMHUPBCY-NWDGAFQWSA-N -1 3 391.320 3.205 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1cc(F)cc(Cl)c1 ZINC000534423306 567811332 /nfs/dbraw/zinc/81/13/32/567811332.db2.gz XQHHZTLRXRXPJU-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)cc(Cl)c1 ZINC000534422349 567811487 /nfs/dbraw/zinc/81/14/87/567811487.db2.gz IEZKNFTXVCDOKD-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1 ZINC000575089352 567812404 /nfs/dbraw/zinc/81/24/04/567812404.db2.gz DYLKGHFOQZUVDE-UHFFFAOYSA-N -1 3 395.493 3.117 20 0 GGADHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000534531781 567813768 /nfs/dbraw/zinc/81/37/68/567813768.db2.gz YYZCWVMRMHAYLQ-HNNXBMFYSA-N -1 3 399.285 3.053 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1O ZINC000534603384 567815060 /nfs/dbraw/zinc/81/50/60/567815060.db2.gz JESNRRMLUSHHQF-NVXWUHKLSA-N -1 3 377.849 3.331 20 0 GGADHM O=S(=O)([N-]CCOc1cccc(C(F)(F)F)n1)c1cc(F)ccc1Cl ZINC000534653360 567815716 /nfs/dbraw/zinc/81/57/16/567815716.db2.gz MOYKGTOGYHURET-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM CN(CCCOc1ccccc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000048275788 570230008 /nfs/dbraw/zinc/23/00/08/570230008.db2.gz RZWXVPSJLOPPQS-UHFFFAOYSA-N -1 3 389.459 3.422 20 0 GGADHM O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000021209446 570289227 /nfs/dbraw/zinc/28/92/27/570289227.db2.gz KQCUCUHGDXZMDE-UHFFFAOYSA-N -1 3 376.376 3.125 20 0 GGADHM C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000022263641 570311622 /nfs/dbraw/zinc/31/16/22/570311622.db2.gz LZAZCRINARUSJA-GJZGRUSLSA-N -1 3 383.448 3.208 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(NC(N)=O)cc3)nc(=O)c2c1C ZINC000022616893 570323667 /nfs/dbraw/zinc/32/36/67/570323667.db2.gz XSEFUMVJEFEAHX-SECBINFHSA-N -1 3 386.433 3.010 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)cc1 ZINC000004878997 570353656 /nfs/dbraw/zinc/35/36/56/570353656.db2.gz MAMXWVUOLSPSAZ-UHFFFAOYSA-N -1 3 388.489 3.431 20 0 GGADHM O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000024746035 570390825 /nfs/dbraw/zinc/39/08/25/570390825.db2.gz CXRVYLZQOYRZHG-AWEZNQCLSA-N -1 3 394.880 3.050 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000024767971 570392630 /nfs/dbraw/zinc/39/26/30/570392630.db2.gz HGKFTTKBAQAZTJ-CQSZACIVSA-N -1 3 386.423 3.176 20 0 GGADHM CONC(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC000025826337 570420303 /nfs/dbraw/zinc/42/03/03/570420303.db2.gz RNZPLKUVLKBYTG-UHFFFAOYSA-N -1 3 389.502 3.493 20 0 GGADHM CCOc1cc(CN(C)[C@H](C)C(=O)[N-]c2cc(C)no2)ccc1OC(F)F ZINC000026455522 570425682 /nfs/dbraw/zinc/42/56/82/570425682.db2.gz CMKMEPIOKJCULO-GFCCVEGCSA-N -1 3 383.395 3.442 20 0 GGADHM CCOc1cc(CN(C)[C@@H](C)C(=O)[N-]c2cc(C)no2)ccc1OC(F)F ZINC000026455519 570425744 /nfs/dbraw/zinc/42/57/44/570425744.db2.gz CMKMEPIOKJCULO-LBPRGKRZSA-N -1 3 383.395 3.442 20 0 GGADHM COCc1c2ccccc2oc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000026904878 570429503 /nfs/dbraw/zinc/42/95/03/570429503.db2.gz YFLJVIQUVNVOIO-UHFFFAOYSA-N -1 3 377.393 3.374 20 0 GGADHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc2ccccc2cc1[O-] ZINC000032970856 570554961 /nfs/dbraw/zinc/55/49/61/570554961.db2.gz MLPIDDFBXRECJK-HXUWFJFHSA-N -1 3 376.456 3.176 20 0 GGADHM C[C@H](Sc1nc2ccccc2n1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000006974868 570724932 /nfs/dbraw/zinc/72/49/32/570724932.db2.gz BJMLPZQTTKMYKZ-LBPRGKRZSA-N -1 3 389.502 3.308 20 0 GGADHM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c[n-]c3ccccc3c2=O)c(C)c1 ZINC000032688747 570740769 /nfs/dbraw/zinc/74/07/69/570740769.db2.gz JOGWPXFKVHIHEH-UHFFFAOYSA-N -1 3 377.444 3.164 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1OC ZINC000007376352 570831320 /nfs/dbraw/zinc/83/13/20/570831320.db2.gz XUEAHOYFNFLNMU-UHFFFAOYSA-N -1 3 389.395 3.244 20 0 GGADHM O=c1[n-]nc(SCc2nnc(-c3ccccc3)o2)n1CCc1ccccc1 ZINC000007345965 570832357 /nfs/dbraw/zinc/83/23/57/570832357.db2.gz WRLXULARXWXQOD-UHFFFAOYSA-N -1 3 379.445 3.156 20 0 GGADHM C[C@H](C(=O)NCCC1=CCCCC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043349 570873693 /nfs/dbraw/zinc/87/36/93/570873693.db2.gz BNNKEGUIZKOYTA-QGZVFWFLSA-N -1 3 399.535 3.438 20 0 GGADHM O=C(c1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)N1CCCCC1 ZINC000104934317 570908327 /nfs/dbraw/zinc/90/83/27/570908327.db2.gz GEWNPGNXLGZOTP-JXAWBTAJSA-N -1 3 375.428 3.036 20 0 GGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000089887739 570918139 /nfs/dbraw/zinc/91/81/39/570918139.db2.gz HPFDIOMLPWGOEO-UHFFFAOYSA-N -1 3 377.441 3.332 20 0 GGADHM CCOC(=O)Cc1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000032922858 570933966 /nfs/dbraw/zinc/93/39/66/570933966.db2.gz GRFSFFCNLMFHNN-UHFFFAOYSA-N -1 3 375.381 3.295 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCCC1 ZINC000047032268 570938616 /nfs/dbraw/zinc/93/86/16/570938616.db2.gz JSSVRDPZUJCEMK-KRWDZBQOSA-N -1 3 396.459 3.089 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(=O)[n-]1 ZINC000012752178 571004688 /nfs/dbraw/zinc/00/46/88/571004688.db2.gz MGABFLCKSMKTAI-UHFFFAOYSA-N -1 3 390.415 3.360 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000737944247 598824006 /nfs/dbraw/zinc/82/40/06/598824006.db2.gz YUSGKXNDSAOEOJ-QGZVFWFLSA-N -1 3 395.488 3.029 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000737944247 598824007 /nfs/dbraw/zinc/82/40/07/598824007.db2.gz YUSGKXNDSAOEOJ-QGZVFWFLSA-N -1 3 395.488 3.029 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737333467 598824921 /nfs/dbraw/zinc/82/49/21/598824921.db2.gz BSPRUOVFTSQVQK-WMZOPIPTSA-N -1 3 391.475 3.176 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737333467 598824923 /nfs/dbraw/zinc/82/49/23/598824923.db2.gz BSPRUOVFTSQVQK-WMZOPIPTSA-N -1 3 391.475 3.176 20 0 GGADHM COc1cccc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)c1OC1CCCC1 ZINC000737132655 598830460 /nfs/dbraw/zinc/83/04/60/598830460.db2.gz PBWSFKNHOJAWML-UHFFFAOYSA-N -1 3 395.467 3.216 20 0 GGADHM COc1cccc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)c1OC1CCCC1 ZINC000737132655 598830462 /nfs/dbraw/zinc/83/04/62/598830462.db2.gz PBWSFKNHOJAWML-UHFFFAOYSA-N -1 3 395.467 3.216 20 0 GGADHM CCc1ocnc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736713055 598832543 /nfs/dbraw/zinc/83/25/43/598832543.db2.gz LAIOUXKDRKNNED-UHFFFAOYSA-N -1 3 376.376 3.462 20 0 GGADHM CCc1ocnc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736713055 598832545 /nfs/dbraw/zinc/83/25/45/598832545.db2.gz LAIOUXKDRKNNED-UHFFFAOYSA-N -1 3 376.376 3.462 20 0 GGADHM CC(C)CO[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735839479 598833817 /nfs/dbraw/zinc/83/38/17/598833817.db2.gz WBQCBHNDEGAILJ-ZDUSSCGKSA-N -1 3 385.493 3.273 20 0 GGADHM CCn1nc(C)cc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736731986 598835989 /nfs/dbraw/zinc/83/59/89/598835989.db2.gz USOJNJCZSKDBEN-UHFFFAOYSA-N -1 3 393.476 3.050 20 0 GGADHM COc1ccc(N(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737100286 598837896 /nfs/dbraw/zinc/83/78/96/598837896.db2.gz VSWWAEMBXXTSNP-UHFFFAOYSA-N -1 3 393.378 3.454 20 0 GGADHM COc1ccc(N(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737100286 598837898 /nfs/dbraw/zinc/83/78/98/598837898.db2.gz VSWWAEMBXXTSNP-UHFFFAOYSA-N -1 3 393.378 3.454 20 0 GGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736394724 598838967 /nfs/dbraw/zinc/83/89/67/598838967.db2.gz DNTAWKIZFODPSM-YOEHRIQHSA-N -1 3 380.452 3.029 20 0 GGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736394724 598838969 /nfs/dbraw/zinc/83/89/69/598838969.db2.gz DNTAWKIZFODPSM-YOEHRIQHSA-N -1 3 380.452 3.029 20 0 GGADHM Cc1nc(SCC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737481968 598838666 /nfs/dbraw/zinc/83/86/66/598838666.db2.gz DCSWVGDVRKWHOB-HBYGRHMLSA-N -1 3 388.541 3.220 20 0 GGADHM Cc1nc(SCC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737481968 598838667 /nfs/dbraw/zinc/83/86/67/598838667.db2.gz DCSWVGDVRKWHOB-HBYGRHMLSA-N -1 3 388.541 3.220 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C=Cc2ccsc2)c1C ZINC000737501975 598839550 /nfs/dbraw/zinc/83/95/50/598839550.db2.gz CWIRGPRTCZCJSB-BAQGIRSFSA-N -1 3 391.460 3.383 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cc(C)ccc2F)c1C ZINC000737343393 598840031 /nfs/dbraw/zinc/84/00/31/598840031.db2.gz OPFNOXFKECETHQ-UHFFFAOYSA-N -1 3 391.410 3.369 20 0 GGADHM C[C@@H]1CC[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)[C@H](C)C1 ZINC000736241435 598840178 /nfs/dbraw/zinc/84/01/78/598840178.db2.gz NJVDSFWRWNVXLG-SPYBWZPUSA-N -1 3 398.511 3.244 20 0 GGADHM C[C@@H]1CC[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)[C@H](C)C1 ZINC000736241435 598840179 /nfs/dbraw/zinc/84/01/79/598840179.db2.gz NJVDSFWRWNVXLG-SPYBWZPUSA-N -1 3 398.511 3.244 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(F)cc2)c1C ZINC000737503862 598840510 /nfs/dbraw/zinc/84/05/10/598840510.db2.gz MPUSHIGGDHBLQD-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736841642 598843382 /nfs/dbraw/zinc/84/33/82/598843382.db2.gz GRGGMBZYYSVXDU-UHFFFAOYSA-N -1 3 389.456 3.128 20 0 GGADHM CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736841642 598843384 /nfs/dbraw/zinc/84/33/84/598843384.db2.gz GRGGMBZYYSVXDU-UHFFFAOYSA-N -1 3 389.456 3.128 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737386638 598845064 /nfs/dbraw/zinc/84/50/64/598845064.db2.gz YGXHXEXEISGECT-QGZVFWFLSA-N -1 3 390.491 3.018 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737386638 598845066 /nfs/dbraw/zinc/84/50/66/598845066.db2.gz YGXHXEXEISGECT-QGZVFWFLSA-N -1 3 390.491 3.018 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736103959 598848234 /nfs/dbraw/zinc/84/82/34/598848234.db2.gz YGSNVJJNCDSFLA-GETOMWPZSA-N -1 3 386.415 3.412 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736103959 598848236 /nfs/dbraw/zinc/84/82/36/598848236.db2.gz YGSNVJJNCDSFLA-GETOMWPZSA-N -1 3 386.415 3.412 20 0 GGADHM CCC[C@H](CC1CCCC1)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736421534 598849279 /nfs/dbraw/zinc/84/92/79/598849279.db2.gz BQWPINNGCBZEBG-GOSISDBHSA-N -1 3 399.495 3.023 20 0 GGADHM CCC[C@H](CC1CCCC1)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736421534 598849281 /nfs/dbraw/zinc/84/92/81/598849281.db2.gz BQWPINNGCBZEBG-GOSISDBHSA-N -1 3 399.495 3.023 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(NC(=O)OC)c1 ZINC000736635494 598850842 /nfs/dbraw/zinc/85/08/42/598850842.db2.gz VDSCNGXROFEGRF-UHFFFAOYSA-N -1 3 397.395 3.088 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(NC(=O)OC)c1 ZINC000736635494 598850843 /nfs/dbraw/zinc/85/08/43/598850843.db2.gz VDSCNGXROFEGRF-UHFFFAOYSA-N -1 3 397.395 3.088 20 0 GGADHM COc1ccc2[nH]cc(CCNC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c2c1 ZINC000737115337 598851197 /nfs/dbraw/zinc/85/11/97/598851197.db2.gz OROJHMFJUQLLAS-UHFFFAOYSA-N -1 3 391.435 3.029 20 0 GGADHM COc1ccc2[nH]cc(CCNC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c2c1 ZINC000737115337 598851198 /nfs/dbraw/zinc/85/11/98/598851198.db2.gz OROJHMFJUQLLAS-UHFFFAOYSA-N -1 3 391.435 3.029 20 0 GGADHM C[C@]1(CNC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCOC1 ZINC000736217053 598851962 /nfs/dbraw/zinc/85/19/62/598851962.db2.gz QMSBXZHAPFWBNC-HXUWFJFHSA-N -1 3 394.435 3.207 20 0 GGADHM C[C@]1(CNC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCOC1 ZINC000736217053 598851963 /nfs/dbraw/zinc/85/19/63/598851963.db2.gz QMSBXZHAPFWBNC-HXUWFJFHSA-N -1 3 394.435 3.207 20 0 GGADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087364 598853256 /nfs/dbraw/zinc/85/32/56/598853256.db2.gz DCXTZJWLWSZVSY-UHFFFAOYSA-N -1 3 378.770 3.163 20 0 GGADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087364 598853258 /nfs/dbraw/zinc/85/32/58/598853258.db2.gz DCXTZJWLWSZVSY-UHFFFAOYSA-N -1 3 378.770 3.163 20 0 GGADHM Cc1cc(NC[C@@H](O)c2ccsc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273600 598854007 /nfs/dbraw/zinc/85/40/07/598854007.db2.gz GPAMKPJQMUYYNQ-OAHLLOKOSA-N -1 3 391.460 3.183 20 0 GGADHM Cc1cc(NC[C@@H](O)c2ccsc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273600 598854010 /nfs/dbraw/zinc/85/40/10/598854010.db2.gz GPAMKPJQMUYYNQ-OAHLLOKOSA-N -1 3 391.460 3.183 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000738229873 598858235 /nfs/dbraw/zinc/85/82/35/598858235.db2.gz AZOCWWZDUGAKRC-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000738229873 598858237 /nfs/dbraw/zinc/85/82/37/598858237.db2.gz AZOCWWZDUGAKRC-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM Cc1nc(Cc2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)cs1 ZINC000737476442 598858575 /nfs/dbraw/zinc/85/85/75/598858575.db2.gz DVICQVVDHKNCJA-UHFFFAOYSA-N -1 3 397.464 3.007 20 0 GGADHM Cc1nc(Cc2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)cs1 ZINC000737476442 598858576 /nfs/dbraw/zinc/85/85/76/598858576.db2.gz DVICQVVDHKNCJA-UHFFFAOYSA-N -1 3 397.464 3.007 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CCCCc1ccccc1 ZINC000736899491 598858916 /nfs/dbraw/zinc/85/89/16/598858916.db2.gz AUTDFVVBFQDIDU-IBGZPJMESA-N -1 3 379.464 3.036 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CCCCc1ccccc1 ZINC000736899491 598858917 /nfs/dbraw/zinc/85/89/17/598858917.db2.gz AUTDFVVBFQDIDU-IBGZPJMESA-N -1 3 379.464 3.036 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(CCc2ccccc2)no1 ZINC000736628955 598859923 /nfs/dbraw/zinc/85/99/23/598859923.db2.gz ZNFRCXPCQQOPQK-UHFFFAOYSA-N -1 3 392.419 3.013 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(CCc2ccccc2)no1 ZINC000736628955 598859925 /nfs/dbraw/zinc/85/99/25/598859925.db2.gz ZNFRCXPCQQOPQK-UHFFFAOYSA-N -1 3 392.419 3.013 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccccc2C)CC1 ZINC000736903322 598863144 /nfs/dbraw/zinc/86/31/44/598863144.db2.gz ZSJNFJVYBDJBEO-FQEVSTJZSA-N -1 3 391.475 3.269 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000736899591 598863520 /nfs/dbraw/zinc/86/35/20/598863520.db2.gz BXYKPUYZSHZHRY-LJQANCHMSA-N -1 3 395.438 3.100 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000736899591 598863521 /nfs/dbraw/zinc/86/35/21/598863521.db2.gz BXYKPUYZSHZHRY-LJQANCHMSA-N -1 3 395.438 3.100 20 0 GGADHM Fc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(OCC(F)(F)F)c1 ZINC000737656085 598872003 /nfs/dbraw/zinc/87/20/03/598872003.db2.gz HVJFBTFUPFOQJE-UHFFFAOYSA-N -1 3 397.332 3.438 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899867 598879495 /nfs/dbraw/zinc/87/94/95/598879495.db2.gz VRRDFQQAELBAAA-IBGZPJMESA-N -1 3 392.463 3.183 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Oc2ccccn2)cc1 ZINC000738099447 598880813 /nfs/dbraw/zinc/88/08/13/598880813.db2.gz FJVLTQINAYZGSJ-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2ccccn2)cc1 ZINC000738099447 598880814 /nfs/dbraw/zinc/88/08/14/598880814.db2.gz FJVLTQINAYZGSJ-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM COc1ccccc1[C@@H](C)CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737142745 598882078 /nfs/dbraw/zinc/88/20/78/598882078.db2.gz PJUBKZFFDRRCBR-LSDHHAIUSA-N -1 3 396.447 3.380 20 0 GGADHM COc1ccccc1[C@@H](C)CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737142745 598882080 /nfs/dbraw/zinc/88/20/80/598882080.db2.gz PJUBKZFFDRRCBR-LSDHHAIUSA-N -1 3 396.447 3.380 20 0 GGADHM COC(=O)[C@@H](NCc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896765 598883391 /nfs/dbraw/zinc/88/33/91/598883391.db2.gz JULQNUWZFFKRLA-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@@H](NCc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896765 598883392 /nfs/dbraw/zinc/88/33/92/598883392.db2.gz JULQNUWZFFKRLA-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM Cc1ccccc1C1(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737421347 598883607 /nfs/dbraw/zinc/88/36/07/598883607.db2.gz MIAWIGQKFBINIX-OAHLLOKOSA-N -1 3 378.432 3.217 20 0 GGADHM Cc1ccccc1C1(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737421347 598883609 /nfs/dbraw/zinc/88/36/09/598883609.db2.gz MIAWIGQKFBINIX-OAHLLOKOSA-N -1 3 378.432 3.217 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(Cl)ccc1F ZINC000736040846 598884899 /nfs/dbraw/zinc/88/48/99/598884899.db2.gz ROIWLUAVEZYRQZ-SNVBAGLBSA-N -1 3 376.775 3.284 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(Cl)ccc1F ZINC000736040846 598884900 /nfs/dbraw/zinc/88/49/00/598884900.db2.gz ROIWLUAVEZYRQZ-SNVBAGLBSA-N -1 3 376.775 3.284 20 0 GGADHM COC(=O)[C@H](N[C@@H](C)c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899730 598886701 /nfs/dbraw/zinc/88/67/01/598886701.db2.gz ZSSGGDDENBFLAZ-MEDUHNTESA-N -1 3 394.460 3.041 20 0 GGADHM COC(=O)[C@H](N[C@@H](C)c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899730 598886703 /nfs/dbraw/zinc/88/67/03/598886703.db2.gz ZSSGGDDENBFLAZ-MEDUHNTESA-N -1 3 394.460 3.041 20 0 GGADHM Cc1nc(C(C)C)sc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737467694 598886957 /nfs/dbraw/zinc/88/69/57/598886957.db2.gz IBLCJABIGUKVIL-NSHDSACASA-N -1 3 387.465 3.379 20 0 GGADHM Cc1nc(C(C)C)sc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737467694 598886958 /nfs/dbraw/zinc/88/69/58/598886958.db2.gz IBLCJABIGUKVIL-NSHDSACASA-N -1 3 387.465 3.379 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736119714 598888607 /nfs/dbraw/zinc/88/86/07/598888607.db2.gz UEAOQLUTOIYVJH-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736119714 598888609 /nfs/dbraw/zinc/88/86/09/598888609.db2.gz UEAOQLUTOIYVJH-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1nccc2ccccc21 ZINC000736040927 598889642 /nfs/dbraw/zinc/88/96/42/598889642.db2.gz SIGPZKOYLMYLAL-CYBMUJFWSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1nccc2ccccc21 ZINC000736040927 598889644 /nfs/dbraw/zinc/88/96/44/598889644.db2.gz SIGPZKOYLMYLAL-CYBMUJFWSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@H]1CC(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C[C@H](C)C1 ZINC000736226649 598890315 /nfs/dbraw/zinc/89/03/15/598890315.db2.gz XHFQBTUHJRSJQR-HUUCEWRRSA-N -1 3 398.511 3.244 20 0 GGADHM C[C@H]1CC(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C[C@H](C)C1 ZINC000736226649 598890317 /nfs/dbraw/zinc/89/03/17/598890317.db2.gz XHFQBTUHJRSJQR-HUUCEWRRSA-N -1 3 398.511 3.244 20 0 GGADHM O=C(Nc1cc(Cl)ccn1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000738146303 598893972 /nfs/dbraw/zinc/89/39/72/598893972.db2.gz WCQIMROEDBVCQV-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM O=C(Nc1cc(Cl)ccn1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000738146303 598893973 /nfs/dbraw/zinc/89/39/73/598893973.db2.gz WCQIMROEDBVCQV-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM CS[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000737170983 598903768 /nfs/dbraw/zinc/90/37/68/598903768.db2.gz MHTZCBGCXGALHQ-QGZVFWFLSA-N -1 3 379.445 3.267 20 0 GGADHM CS[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000737170983 598903769 /nfs/dbraw/zinc/90/37/69/598903769.db2.gz MHTZCBGCXGALHQ-QGZVFWFLSA-N -1 3 379.445 3.267 20 0 GGADHM C[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)NC(C)(C)C ZINC000736193245 598901509 /nfs/dbraw/zinc/90/15/09/598901509.db2.gz QRCZQBIGUUQPJW-GFCCVEGCSA-N -1 3 382.493 3.324 20 0 GGADHM C[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000736193245 598901510 /nfs/dbraw/zinc/90/15/10/598901510.db2.gz QRCZQBIGUUQPJW-GFCCVEGCSA-N -1 3 382.493 3.324 20 0 GGADHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC000736193533 598901581 /nfs/dbraw/zinc/90/15/81/598901581.db2.gz SKAGGUHAYUFLCN-ZDUSSCGKSA-N -1 3 394.504 3.468 20 0 GGADHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC000736193533 598901583 /nfs/dbraw/zinc/90/15/83/598901583.db2.gz SKAGGUHAYUFLCN-ZDUSSCGKSA-N -1 3 394.504 3.468 20 0 GGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)NC1CCCCC1 ZINC000737953695 598902196 /nfs/dbraw/zinc/90/21/96/598902196.db2.gz NAIODIHZJGDUBO-UHFFFAOYSA-N -1 3 394.504 3.470 20 0 GGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)NC1CCCCC1 ZINC000737953695 598902197 /nfs/dbraw/zinc/90/21/97/598902197.db2.gz NAIODIHZJGDUBO-UHFFFAOYSA-N -1 3 394.504 3.470 20 0 GGADHM Cc1cccc([C@H](C)C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737386110 598902367 /nfs/dbraw/zinc/90/23/67/598902367.db2.gz AULNWBHLDOGYGS-LBPRGKRZSA-N -1 3 399.838 3.114 20 0 GGADHM Cc1cccc([C@H](C)C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737386110 598902369 /nfs/dbraw/zinc/90/23/69/598902369.db2.gz AULNWBHLDOGYGS-LBPRGKRZSA-N -1 3 399.838 3.114 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737390851 598902935 /nfs/dbraw/zinc/90/29/35/598902935.db2.gz WIXNVDFVIOIEPR-GFCCVEGCSA-N -1 3 399.838 3.114 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737390851 598902937 /nfs/dbraw/zinc/90/29/37/598902937.db2.gz WIXNVDFVIOIEPR-GFCCVEGCSA-N -1 3 399.838 3.114 20 0 GGADHM C[C@H](CC1CCCC1)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735985847 598905790 /nfs/dbraw/zinc/90/57/90/598905790.db2.gz NYNXQGGGAAMWKB-OAHLLOKOSA-N -1 3 383.496 3.453 20 0 GGADHM C[C@H](CC1CCCC1)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735985847 598905792 /nfs/dbraw/zinc/90/57/92/598905792.db2.gz NYNXQGGGAAMWKB-OAHLLOKOSA-N -1 3 383.496 3.453 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736408694 598907897 /nfs/dbraw/zinc/90/78/97/598907897.db2.gz UHCSRMAQTRTOSC-KDOFPFPSSA-N -1 3 377.448 3.170 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736408694 598907899 /nfs/dbraw/zinc/90/78/99/598907899.db2.gz UHCSRMAQTRTOSC-KDOFPFPSSA-N -1 3 377.448 3.170 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735986646 598908510 /nfs/dbraw/zinc/90/85/10/598908510.db2.gz TVLFDQWWJKKECW-INIZCTEOSA-N -1 3 382.512 3.122 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735986646 598908512 /nfs/dbraw/zinc/90/85/12/598908512.db2.gz TVLFDQWWJKKECW-INIZCTEOSA-N -1 3 382.512 3.122 20 0 GGADHM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1sccc1-c1nn[n-]n1 ZINC000738173056 598909936 /nfs/dbraw/zinc/90/99/36/598909936.db2.gz ANPYGLFEAVXRGK-UHFFFAOYSA-N -1 3 388.416 3.119 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737924433 598910948 /nfs/dbraw/zinc/91/09/48/598910948.db2.gz GDIOOTDDDLIWGS-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM CCCN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736472714 598910943 /nfs/dbraw/zinc/91/09/43/598910943.db2.gz RXSLRBNUTCVKIB-NUEKZKHPSA-N -1 3 386.525 3.089 20 0 GGADHM CCCN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736472714 598910945 /nfs/dbraw/zinc/91/09/45/598910945.db2.gz RXSLRBNUTCVKIB-NUEKZKHPSA-N -1 3 386.525 3.089 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737924433 598910949 /nfs/dbraw/zinc/91/09/49/598910949.db2.gz GDIOOTDDDLIWGS-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736230397 598912094 /nfs/dbraw/zinc/91/20/94/598912094.db2.gz TYBRHOPCOMSCGN-RYUDHWBXSA-N -1 3 383.481 3.176 20 0 GGADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736230397 598912096 /nfs/dbraw/zinc/91/20/96/598912096.db2.gz TYBRHOPCOMSCGN-RYUDHWBXSA-N -1 3 383.481 3.176 20 0 GGADHM C[C@@](O)(CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000736141080 598913548 /nfs/dbraw/zinc/91/35/48/598913548.db2.gz HGNXACSGOGMUDH-LJQANCHMSA-N -1 3 382.374 3.013 20 0 GGADHM C[C@@](O)(CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000736141080 598913549 /nfs/dbraw/zinc/91/35/49/598913549.db2.gz HGNXACSGOGMUDH-LJQANCHMSA-N -1 3 382.374 3.013 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737932858 598913832 /nfs/dbraw/zinc/91/38/32/598913832.db2.gz RILFGDRJTPXWJN-FQEVSTJZSA-N -1 3 383.521 3.449 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737932858 598913833 /nfs/dbraw/zinc/91/38/33/598913833.db2.gz RILFGDRJTPXWJN-FQEVSTJZSA-N -1 3 383.521 3.449 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000442941878 598918051 /nfs/dbraw/zinc/91/80/51/598918051.db2.gz GUJYBGKJBFXIFF-QGZVFWFLSA-N -1 3 393.900 3.031 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000442941878 598918053 /nfs/dbraw/zinc/91/80/53/598918053.db2.gz GUJYBGKJBFXIFF-QGZVFWFLSA-N -1 3 393.900 3.031 20 0 GGADHM Cc1cccc2c1CCCN2CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737409211 598918817 /nfs/dbraw/zinc/91/88/17/598918817.db2.gz OCKBOJAPQMYBBF-UHFFFAOYSA-N -1 3 382.855 3.220 20 0 GGADHM Cc1cccc2c1CCCN2CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737409211 598918819 /nfs/dbraw/zinc/91/88/19/598918819.db2.gz OCKBOJAPQMYBBF-UHFFFAOYSA-N -1 3 382.855 3.220 20 0 GGADHM O=C(NC[C@@H]1CC1(Cl)Cl)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823170754 599292891 /nfs/dbraw/zinc/29/28/91/599292891.db2.gz HVNFTHWHARFJCM-LURJTMIESA-N -1 3 395.172 3.201 20 0 GGADHM O=C(NC[C@@H]1CC1(Cl)Cl)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823170754 599292893 /nfs/dbraw/zinc/29/28/93/599292893.db2.gz HVNFTHWHARFJCM-LURJTMIESA-N -1 3 395.172 3.201 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736349359 598922841 /nfs/dbraw/zinc/92/28/41/598922841.db2.gz FWPRNAJTVGOSPG-GFCCVEGCSA-N -1 3 377.470 3.016 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736349359 598922843 /nfs/dbraw/zinc/92/28/43/598922843.db2.gz FWPRNAJTVGOSPG-GFCCVEGCSA-N -1 3 377.470 3.016 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1cccs1 ZINC000736638200 598922848 /nfs/dbraw/zinc/92/28/48/598922848.db2.gz XPTSSAHGVDNIFP-UHFFFAOYSA-N -1 3 386.481 3.426 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1cccs1 ZINC000736638200 598922849 /nfs/dbraw/zinc/92/28/49/598922849.db2.gz XPTSSAHGVDNIFP-UHFFFAOYSA-N -1 3 386.481 3.426 20 0 GGADHM O=C(NC(C1CC1)C1CC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737995558 598926919 /nfs/dbraw/zinc/92/69/19/598926919.db2.gz MWHHGROXISBCED-UHFFFAOYSA-N -1 3 389.459 3.364 20 0 GGADHM O=C(NC(C1CC1)C1CC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737995558 598926921 /nfs/dbraw/zinc/92/69/21/598926921.db2.gz MWHHGROXISBCED-UHFFFAOYSA-N -1 3 389.459 3.364 20 0 GGADHM CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735747679 598927127 /nfs/dbraw/zinc/92/71/27/598927127.db2.gz FYBBWIIKTDAOJP-APWZRJJASA-N -1 3 382.512 3.120 20 0 GGADHM O=C(NC1CCSCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738037423 598928539 /nfs/dbraw/zinc/92/85/39/598928539.db2.gz VAMRQUOJJLTXQR-UHFFFAOYSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(NC1CCSCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738037423 598928541 /nfs/dbraw/zinc/92/85/41/598928541.db2.gz VAMRQUOJJLTXQR-UHFFFAOYSA-N -1 3 395.488 3.071 20 0 GGADHM O=C(c1cccc(COc2ccccc2-c2nnn[n-]2)c1)N1CCCSCC1 ZINC000738271579 598934139 /nfs/dbraw/zinc/93/41/39/598934139.db2.gz YHPCGEQRRXGSBH-UHFFFAOYSA-N -1 3 395.488 3.025 20 0 GGADHM O=C(c1cccc(COc2ccccc2-c2nn[n-]n2)c1)N1CCCSCC1 ZINC000738271579 598934141 /nfs/dbraw/zinc/93/41/41/598934141.db2.gz YHPCGEQRRXGSBH-UHFFFAOYSA-N -1 3 395.488 3.025 20 0 GGADHM Cc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)n1-c1ccccc1C ZINC000737417653 598936170 /nfs/dbraw/zinc/93/61/70/598936170.db2.gz JSUVDELWHRYRQO-UHFFFAOYSA-N -1 3 384.856 3.264 20 0 GGADHM Cc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)n1-c1ccccc1C ZINC000737417653 598936172 /nfs/dbraw/zinc/93/61/72/598936172.db2.gz JSUVDELWHRYRQO-UHFFFAOYSA-N -1 3 384.856 3.264 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(NCc2ccco2)s1 ZINC000737563777 598936387 /nfs/dbraw/zinc/93/63/87/598936387.db2.gz GAHBQPJGCXFPOY-UHFFFAOYSA-N -1 3 392.857 3.123 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(NCc2ccco2)s1 ZINC000737563777 598936388 /nfs/dbraw/zinc/93/63/88/598936388.db2.gz GAHBQPJGCXFPOY-UHFFFAOYSA-N -1 3 392.857 3.123 20 0 GGADHM Oc1ccc(CCC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000738398200 598936720 /nfs/dbraw/zinc/93/67/20/598936720.db2.gz VSIIQBQDRHILQK-UHFFFAOYSA-N -1 3 384.871 3.470 20 0 GGADHM Oc1ccc(CCC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000738398200 598936722 /nfs/dbraw/zinc/93/67/22/598936722.db2.gz VSIIQBQDRHILQK-UHFFFAOYSA-N -1 3 384.871 3.470 20 0 GGADHM COc1ccc(SCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000525370418 598938911 /nfs/dbraw/zinc/93/89/11/598938911.db2.gz AFJSXAWIBVOHQA-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM COc1ccc(SCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000525370418 598938913 /nfs/dbraw/zinc/93/89/13/598938913.db2.gz AFJSXAWIBVOHQA-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc(-c2ccc(C)cc2)cn1 ZINC000737032818 598939838 /nfs/dbraw/zinc/93/98/38/598939838.db2.gz QIYIUKCSSAREQO-UHFFFAOYSA-N -1 3 376.420 3.126 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc(-c2ccc(C)cc2)cn1 ZINC000737032818 598939840 /nfs/dbraw/zinc/93/98/40/598939840.db2.gz QIYIUKCSSAREQO-UHFFFAOYSA-N -1 3 376.420 3.126 20 0 GGADHM COc1ccc(SCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1OC ZINC000737114667 598940153 /nfs/dbraw/zinc/94/01/53/598940153.db2.gz IVHNIYNTYACNCU-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM COc1ccc(SCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1OC ZINC000737114667 598940155 /nfs/dbraw/zinc/94/01/55/598940155.db2.gz IVHNIYNTYACNCU-UHFFFAOYSA-N -1 3 385.449 3.005 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000737561501 598941745 /nfs/dbraw/zinc/94/17/45/598941745.db2.gz FFYIQTCOHLRVBT-AWEZNQCLSA-N -1 3 384.827 3.028 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000737561501 598941747 /nfs/dbraw/zinc/94/17/47/598941747.db2.gz FFYIQTCOHLRVBT-AWEZNQCLSA-N -1 3 384.827 3.028 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000737852579 598941900 /nfs/dbraw/zinc/94/19/00/598941900.db2.gz OFBHXSJCEVDULF-XJKSGUPXSA-N -1 3 385.830 3.264 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000737852579 598941902 /nfs/dbraw/zinc/94/19/02/598941902.db2.gz OFBHXSJCEVDULF-XJKSGUPXSA-N -1 3 385.830 3.264 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000735625892 598942386 /nfs/dbraw/zinc/94/23/86/598942386.db2.gz GUYYTTMBCPYDQO-GFCCVEGCSA-N -1 3 378.864 3.332 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000735625892 598942388 /nfs/dbraw/zinc/94/23/88/598942388.db2.gz GUYYTTMBCPYDQO-GFCCVEGCSA-N -1 3 378.864 3.332 20 0 GGADHM Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737337412 598942693 /nfs/dbraw/zinc/94/26/93/598942693.db2.gz MLHVIHDTBAJUAG-INIZCTEOSA-N -1 3 391.475 3.442 20 0 GGADHM Cc1ccc(CN(C(=O)COc2ccccc2-c2nnn[n-]2)C2CC2)cc1C ZINC000737338071 598942858 /nfs/dbraw/zinc/94/28/58/598942858.db2.gz XORPYUKGELOOEJ-UHFFFAOYSA-N -1 3 377.448 3.054 20 0 GGADHM Cc1ccc(CN(C(=O)COc2ccccc2-c2nn[n-]n2)C2CC2)cc1C ZINC000737338071 598942860 /nfs/dbraw/zinc/94/28/60/598942860.db2.gz XORPYUKGELOOEJ-UHFFFAOYSA-N -1 3 377.448 3.054 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736349922 598944177 /nfs/dbraw/zinc/94/41/77/598944177.db2.gz JJSAVDGPEYVKLR-ZBEGNZNMSA-N -1 3 387.390 3.180 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736349922 598944179 /nfs/dbraw/zinc/94/41/79/598944179.db2.gz JJSAVDGPEYVKLR-ZBEGNZNMSA-N -1 3 387.390 3.180 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000737296227 598948170 /nfs/dbraw/zinc/94/81/70/598948170.db2.gz FTAZKUFRHZEMBG-UHFFFAOYSA-N -1 3 385.493 3.119 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000737296227 598948172 /nfs/dbraw/zinc/94/81/72/598948172.db2.gz FTAZKUFRHZEMBG-UHFFFAOYSA-N -1 3 385.493 3.119 20 0 GGADHM CC[C@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1cccc(Cl)c1 ZINC000736371600 598951096 /nfs/dbraw/zinc/95/10/96/598951096.db2.gz XLGIXNPIRITLFP-HNNXBMFYSA-N -1 3 391.884 3.258 20 0 GGADHM CC[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1cccc(Cl)c1 ZINC000736371600 598951099 /nfs/dbraw/zinc/95/10/99/598951099.db2.gz XLGIXNPIRITLFP-HNNXBMFYSA-N -1 3 391.884 3.258 20 0 GGADHM CCc1ccc(CN(C2CC2)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736688802 598951239 /nfs/dbraw/zinc/95/12/39/598951239.db2.gz GBBUHJJRKQMBJE-UHFFFAOYSA-N -1 3 397.504 3.091 20 0 GGADHM CCc1ccc(CN(C2CC2)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736688802 598951241 /nfs/dbraw/zinc/95/12/41/598951241.db2.gz GBBUHJJRKQMBJE-UHFFFAOYSA-N -1 3 397.504 3.091 20 0 GGADHM Cc1cccc(CN(CC(C)C)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737394758 598955109 /nfs/dbraw/zinc/95/51/09/598955109.db2.gz VFIALPDJBKRJSU-UHFFFAOYSA-N -1 3 399.520 3.330 20 0 GGADHM Cc1cccc(CN(CC(C)C)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737394758 598955111 /nfs/dbraw/zinc/95/51/11/598955111.db2.gz VFIALPDJBKRJSU-UHFFFAOYSA-N -1 3 399.520 3.330 20 0 GGADHM Cc1nc2ccc(N[C@@H]3CCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)cc2s1 ZINC000737489407 598960387 /nfs/dbraw/zinc/96/03/87/598960387.db2.gz XJMHOEMZBIIRCV-MRXNPFEDSA-N -1 3 391.460 3.002 20 0 GGADHM Cc1nc2ccc(N[C@@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)cc2s1 ZINC000737489407 598960388 /nfs/dbraw/zinc/96/03/88/598960388.db2.gz XJMHOEMZBIIRCV-MRXNPFEDSA-N -1 3 391.460 3.002 20 0 GGADHM Cc1nc2ccc(N[C@H]3CCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)cc2s1 ZINC000737489406 598960518 /nfs/dbraw/zinc/96/05/18/598960518.db2.gz XJMHOEMZBIIRCV-INIZCTEOSA-N -1 3 391.460 3.002 20 0 GGADHM Cc1nc2ccc(N[C@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)cc2s1 ZINC000737489406 598960519 /nfs/dbraw/zinc/96/05/19/598960519.db2.gz XJMHOEMZBIIRCV-INIZCTEOSA-N -1 3 391.460 3.002 20 0 GGADHM Cc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000737358179 598966861 /nfs/dbraw/zinc/96/68/61/598966861.db2.gz YSBSFNZEEYWVCA-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM Cc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737358179 598966862 /nfs/dbraw/zinc/96/68/62/598966862.db2.gz YSBSFNZEEYWVCA-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000736116089 598963875 /nfs/dbraw/zinc/96/38/75/598963875.db2.gz BZJAISCFCHIQRE-JTQLQIEISA-N -1 3 397.439 3.176 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000736116089 598963876 /nfs/dbraw/zinc/96/38/76/598963876.db2.gz BZJAISCFCHIQRE-JTQLQIEISA-N -1 3 397.439 3.176 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1ccccc1C ZINC000736508050 598969848 /nfs/dbraw/zinc/96/98/48/598969848.db2.gz IQBLXKKDRAEQQB-HNNXBMFYSA-N -1 3 385.493 3.088 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1ccccc1C ZINC000736508050 598969849 /nfs/dbraw/zinc/96/98/49/598969849.db2.gz IQBLXKKDRAEQQB-HNNXBMFYSA-N -1 3 385.493 3.088 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C)cc1F ZINC000736509667 598970238 /nfs/dbraw/zinc/97/02/38/598970238.db2.gz ZJOXDPFMCBLHNM-CYBMUJFWSA-N -1 3 389.456 3.086 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C)cc1F ZINC000736509667 598970239 /nfs/dbraw/zinc/97/02/39/598970239.db2.gz ZJOXDPFMCBLHNM-CYBMUJFWSA-N -1 3 389.456 3.086 20 0 GGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736291697 598970506 /nfs/dbraw/zinc/97/05/06/598970506.db2.gz YBHITALHNSYBRR-FZMZJTMJSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736291697 598970508 /nfs/dbraw/zinc/97/05/08/598970508.db2.gz YBHITALHNSYBRR-FZMZJTMJSA-N -1 3 392.891 3.260 20 0 GGADHM Fc1ccc(N2CCOCC2)c(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737658749 598975961 /nfs/dbraw/zinc/97/59/61/598975961.db2.gz HWJXIKSJXNLMEP-UHFFFAOYSA-N -1 3 388.834 3.108 20 0 GGADHM Fc1ccc(N2CCOCC2)c(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737658749 598975963 /nfs/dbraw/zinc/97/59/63/598975963.db2.gz HWJXIKSJXNLMEP-UHFFFAOYSA-N -1 3 388.834 3.108 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)N1CCCCCC1 ZINC000738271606 598978533 /nfs/dbraw/zinc/97/85/33/598978533.db2.gz ZCNSUWQPIAJKKB-UHFFFAOYSA-N -1 3 377.448 3.462 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)N1CCCCCC1 ZINC000738271606 598978535 /nfs/dbraw/zinc/97/85/35/598978535.db2.gz ZCNSUWQPIAJKKB-UHFFFAOYSA-N -1 3 377.448 3.462 20 0 GGADHM O=C(CNc1ccccc1OCC1CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737901753 598981542 /nfs/dbraw/zinc/98/15/42/598981542.db2.gz YCMAHRYESHWNCP-UHFFFAOYSA-N -1 3 398.854 3.360 20 0 GGADHM O=C(CNc1ccccc1OCC1CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737901753 598981543 /nfs/dbraw/zinc/98/15/43/598981543.db2.gz YCMAHRYESHWNCP-UHFFFAOYSA-N -1 3 398.854 3.360 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN[C@@H](c1ccccc1)C(F)(F)F ZINC000737033358 598984992 /nfs/dbraw/zinc/98/49/92/598984992.db2.gz WBHUNWLOGNRBQB-INIZCTEOSA-N -1 3 393.369 3.147 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN[C@@H](c1ccccc1)C(F)(F)F ZINC000737033358 598984993 /nfs/dbraw/zinc/98/49/93/598984993.db2.gz WBHUNWLOGNRBQB-INIZCTEOSA-N -1 3 393.369 3.147 20 0 GGADHM COc1ccc2ccc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2c1 ZINC000737119470 598995615 /nfs/dbraw/zinc/99/56/15/598995615.db2.gz BADXMMCLWREONY-UHFFFAOYSA-N -1 3 396.428 3.105 20 0 GGADHM COc1ccc2ccc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2c1 ZINC000737119470 598995616 /nfs/dbraw/zinc/99/56/16/598995616.db2.gz BADXMMCLWREONY-UHFFFAOYSA-N -1 3 396.428 3.105 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000737222356 598998995 /nfs/dbraw/zinc/99/89/95/598998995.db2.gz YWYVGHZVWDGZCP-GOSISDBHSA-N -1 3 397.504 3.481 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000737222356 598998996 /nfs/dbraw/zinc/99/89/96/598998996.db2.gz YWYVGHZVWDGZCP-GOSISDBHSA-N -1 3 397.504 3.481 20 0 GGADHM CCCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736472774 599000099 /nfs/dbraw/zinc/00/00/99/599000099.db2.gz ZGEXVNMQTOJNFT-UHFFFAOYSA-N -1 3 377.514 3.156 20 0 GGADHM CCCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736472774 599000101 /nfs/dbraw/zinc/00/01/01/599000101.db2.gz ZGEXVNMQTOJNFT-UHFFFAOYSA-N -1 3 377.514 3.156 20 0 GGADHM Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737223684 599000718 /nfs/dbraw/zinc/00/07/18/599000718.db2.gz JZAZQJNNUNGGRH-ZDUSSCGKSA-N -1 3 397.460 3.269 20 0 GGADHM Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737223684 599000720 /nfs/dbraw/zinc/00/07/20/599000720.db2.gz JZAZQJNNUNGGRH-ZDUSSCGKSA-N -1 3 397.460 3.269 20 0 GGADHM CC(C)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735720558 599007060 /nfs/dbraw/zinc/00/70/60/599007060.db2.gz GLDACRPPCGKRPC-GOSISDBHSA-N -1 3 385.855 3.412 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(F)c(F)c1 ZINC000737033124 599009852 /nfs/dbraw/zinc/00/98/52/599009852.db2.gz SJQMWLUZAXKKDK-UHFFFAOYSA-N -1 3 378.404 3.466 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(F)c(F)c1 ZINC000737033124 599009854 /nfs/dbraw/zinc/00/98/54/599009854.db2.gz SJQMWLUZAXKKDK-UHFFFAOYSA-N -1 3 378.404 3.466 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCOc1cccc(C)c1 ZINC000737032122 599009971 /nfs/dbraw/zinc/00/99/71/599009971.db2.gz HXFPQDKFINHTAG-UHFFFAOYSA-N -1 3 386.477 3.375 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCOc1cccc(C)c1 ZINC000737032122 599009973 /nfs/dbraw/zinc/00/99/73/599009973.db2.gz HXFPQDKFINHTAG-UHFFFAOYSA-N -1 3 386.477 3.375 20 0 GGADHM CC[C@@H]1CCC[C@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736396998 599013577 /nfs/dbraw/zinc/01/35/77/599013577.db2.gz PZSPXQCWPHYNFH-SJORKVTESA-N -1 3 397.527 3.057 20 0 GGADHM CC[C@@H]1CCC[C@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736396998 599013578 /nfs/dbraw/zinc/01/35/78/599013578.db2.gz PZSPXQCWPHYNFH-SJORKVTESA-N -1 3 397.527 3.057 20 0 GGADHM O=C(OCCOC1CCCCCC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738225264 599015939 /nfs/dbraw/zinc/01/59/39/599015939.db2.gz ZZIIAFIKZKGKDB-LJQANCHMSA-N -1 3 399.495 3.118 20 0 GGADHM O=C(C[C@@H]1CCc2ccccc21)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737817583 599016204 /nfs/dbraw/zinc/01/62/04/599016204.db2.gz CHTIXHLQIHTEAL-INIZCTEOSA-N -1 3 393.516 3.336 20 0 GGADHM O=C(C[C@@H]1CCc2ccccc21)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737817583 599016206 /nfs/dbraw/zinc/01/62/06/599016206.db2.gz CHTIXHLQIHTEAL-INIZCTEOSA-N -1 3 393.516 3.336 20 0 GGADHM C[C@@H]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736252007 599016477 /nfs/dbraw/zinc/01/64/77/599016477.db2.gz PAQKZISCRQLREY-MDZRGWNJSA-N -1 3 382.512 3.168 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737193276 599017096 /nfs/dbraw/zinc/01/70/96/599017096.db2.gz ZNLSHZLTZJUOLV-NSHDSACASA-N -1 3 388.424 3.238 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737193276 599017098 /nfs/dbraw/zinc/01/70/98/599017098.db2.gz ZNLSHZLTZJUOLV-NSHDSACASA-N -1 3 388.424 3.238 20 0 GGADHM Cc1ccc(C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccn2)cc1 ZINC000737335355 599018204 /nfs/dbraw/zinc/01/82/04/599018204.db2.gz SNJMBECNTLGZLP-HXUWFJFHSA-N -1 3 384.443 3.284 20 0 GGADHM Cc1ccc(C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccn2)cc1 ZINC000737335355 599018207 /nfs/dbraw/zinc/01/82/07/599018207.db2.gz SNJMBECNTLGZLP-HXUWFJFHSA-N -1 3 384.443 3.284 20 0 GGADHM CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735756342 599018876 /nfs/dbraw/zinc/01/88/76/599018876.db2.gz MJLBMPCWBJHIFD-SFHVURJKSA-N -1 3 393.447 3.178 20 0 GGADHM CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735756342 599018878 /nfs/dbraw/zinc/01/88/78/599018878.db2.gz MJLBMPCWBJHIFD-SFHVURJKSA-N -1 3 393.447 3.178 20 0 GGADHM CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735758128 599018911 /nfs/dbraw/zinc/01/89/11/599018911.db2.gz XMNQXCVNVIWKMB-SFHVURJKSA-N -1 3 393.447 3.178 20 0 GGADHM CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735758128 599018913 /nfs/dbraw/zinc/01/89/13/599018913.db2.gz XMNQXCVNVIWKMB-SFHVURJKSA-N -1 3 393.447 3.178 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000736229500 599019286 /nfs/dbraw/zinc/01/92/86/599019286.db2.gz RERMGJLTHLVMRK-CHWSQXEVSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000736229500 599019287 /nfs/dbraw/zinc/01/92/87/599019287.db2.gz RERMGJLTHLVMRK-CHWSQXEVSA-N -1 3 379.424 3.316 20 0 GGADHM CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc(OC)c1 ZINC000736381050 599027836 /nfs/dbraw/zinc/02/78/36/599027836.db2.gz GZNYUCOTKAZUPA-SUMWQHHRSA-N -1 3 382.420 3.337 20 0 GGADHM CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc(OC)c1 ZINC000736381050 599027838 /nfs/dbraw/zinc/02/78/38/599027838.db2.gz GZNYUCOTKAZUPA-SUMWQHHRSA-N -1 3 382.420 3.337 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCS1 ZINC000736293955 599029706 /nfs/dbraw/zinc/02/97/06/599029706.db2.gz VQBVPNZCEZACMA-CQSZACIVSA-N -1 3 395.488 3.023 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCS1 ZINC000736293955 599029708 /nfs/dbraw/zinc/02/97/08/599029708.db2.gz VQBVPNZCEZACMA-CQSZACIVSA-N -1 3 395.488 3.023 20 0 GGADHM CC1(C)C[C@H]1CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736210188 599032472 /nfs/dbraw/zinc/03/24/72/599032472.db2.gz GWCJTDWNXITURP-KRWDZBQOSA-N -1 3 377.448 3.222 20 0 GGADHM Cc1c(NCc2cccc(C(=O)NCc3ccco3)c2)cccc1-c1nnn[n-]1 ZINC000822122279 607257573 /nfs/dbraw/zinc/25/75/73/607257573.db2.gz KDZSBKCRBJBHQB-UHFFFAOYSA-N -1 3 388.431 3.310 20 0 GGADHM Cc1c(NCc2cccc(C(=O)NCc3ccco3)c2)cccc1-c1nn[n-]n1 ZINC000822122279 607257574 /nfs/dbraw/zinc/25/75/74/607257574.db2.gz KDZSBKCRBJBHQB-UHFFFAOYSA-N -1 3 388.431 3.310 20 0 GGADHM CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736742912 599033349 /nfs/dbraw/zinc/03/33/49/599033349.db2.gz UKAHIOBRLIPQOX-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccncc1F ZINC000738175506 599035896 /nfs/dbraw/zinc/03/58/96/599035896.db2.gz ODPKXZLSFPPILT-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccncc1F ZINC000738175506 599035899 /nfs/dbraw/zinc/03/58/99/599035899.db2.gz ODPKXZLSFPPILT-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM C[C@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000820768588 599036265 /nfs/dbraw/zinc/03/62/65/599036265.db2.gz OKZRJPAEDLMDJH-QFYYESIMSA-N -1 3 375.354 3.250 20 0 GGADHM C[C@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000820768588 599036268 /nfs/dbraw/zinc/03/62/68/599036268.db2.gz OKZRJPAEDLMDJH-QFYYESIMSA-N -1 3 375.354 3.250 20 0 GGADHM C[C@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000820768587 599036513 /nfs/dbraw/zinc/03/65/13/599036513.db2.gz OKZRJPAEDLMDJH-MGPLVRAMSA-N -1 3 375.354 3.250 20 0 GGADHM C[C@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000820768587 599036516 /nfs/dbraw/zinc/03/65/16/599036516.db2.gz OKZRJPAEDLMDJH-MGPLVRAMSA-N -1 3 375.354 3.250 20 0 GGADHM CCn1c(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)nc2ccccc21 ZINC000736720185 599039157 /nfs/dbraw/zinc/03/91/57/599039157.db2.gz LOBSSKCFSPFIFF-UHFFFAOYSA-N -1 3 388.357 3.262 20 0 GGADHM CCn1c(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)nc2ccccc21 ZINC000736720185 599039158 /nfs/dbraw/zinc/03/91/58/599039158.db2.gz LOBSSKCFSPFIFF-UHFFFAOYSA-N -1 3 388.357 3.262 20 0 GGADHM CC(=O)Nc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000819826983 599040659 /nfs/dbraw/zinc/04/06/59/599040659.db2.gz OFVZJIDLCSIVIH-UHFFFAOYSA-N -1 3 387.447 3.024 20 0 GGADHM CC(=O)Nc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000819826983 599040662 /nfs/dbraw/zinc/04/06/62/599040662.db2.gz OFVZJIDLCSIVIH-UHFFFAOYSA-N -1 3 387.447 3.024 20 0 GGADHM CC(C)Oc1ncccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735914034 599043286 /nfs/dbraw/zinc/04/32/86/599043286.db2.gz PYMUSFBREQMFNU-UHFFFAOYSA-N -1 3 379.346 3.075 20 0 GGADHM CC(C)Oc1ncccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735914034 599043289 /nfs/dbraw/zinc/04/32/89/599043289.db2.gz PYMUSFBREQMFNU-UHFFFAOYSA-N -1 3 379.346 3.075 20 0 GGADHM Cc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737275470 599047021 /nfs/dbraw/zinc/04/70/21/599047021.db2.gz VZNSDKVRBUBWOU-RZAIGCCYSA-N -1 3 389.463 3.201 20 0 GGADHM Cc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737275470 599047024 /nfs/dbraw/zinc/04/70/24/599047024.db2.gz VZNSDKVRBUBWOU-RZAIGCCYSA-N -1 3 389.463 3.201 20 0 GGADHM C[C@H](COc1cccc(F)c1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736041304 599048815 /nfs/dbraw/zinc/04/88/15/599048815.db2.gz VMKINFOOCOURMD-SECBINFHSA-N -1 3 382.321 3.299 20 0 GGADHM C[C@H](COc1cccc(F)c1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736041304 599048821 /nfs/dbraw/zinc/04/88/21/599048821.db2.gz VMKINFOOCOURMD-SECBINFHSA-N -1 3 382.321 3.299 20 0 GGADHM Cc1cccc(OC[C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737402304 599050121 /nfs/dbraw/zinc/05/01/21/599050121.db2.gz UTIFLNUSTHUTNB-LLVKDONJSA-N -1 3 378.358 3.468 20 0 GGADHM Cc1cccc(OC[C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737402304 599050124 /nfs/dbraw/zinc/05/01/24/599050124.db2.gz UTIFLNUSTHUTNB-LLVKDONJSA-N -1 3 378.358 3.468 20 0 GGADHM COc1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(SC)cc1OC ZINC000737045940 599052755 /nfs/dbraw/zinc/05/27/55/599052755.db2.gz VESDXQXOOROPFF-UHFFFAOYSA-N -1 3 389.456 3.035 20 0 GGADHM CN(C)c1ccc(N2CCC(Nc3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000821589408 599053195 /nfs/dbraw/zinc/05/31/95/599053195.db2.gz MGMQUUIEYPVBFY-UHFFFAOYSA-N -1 3 399.449 3.292 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)c1cccc(C)c1 ZINC000736638216 599058011 /nfs/dbraw/zinc/05/80/11/599058011.db2.gz YBNYLWVQCGCNDT-AWEZNQCLSA-N -1 3 380.452 3.499 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)c1cccc(C)c1 ZINC000736638216 599058014 /nfs/dbraw/zinc/05/80/14/599058014.db2.gz YBNYLWVQCGCNDT-AWEZNQCLSA-N -1 3 380.452 3.499 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000738115448 599059478 /nfs/dbraw/zinc/05/94/78/599059478.db2.gz AYTNKFDJAMUMAP-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000738115448 599059481 /nfs/dbraw/zinc/05/94/81/599059481.db2.gz AYTNKFDJAMUMAP-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM COc1cccc(O[C@@H](C)CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)c1 ZINC000821871864 599062094 /nfs/dbraw/zinc/06/20/94/599062094.db2.gz HHVJJPMFCMAKCZ-AWEZNQCLSA-N -1 3 390.447 3.033 20 0 GGADHM COc1cccc(O[C@@H](C)CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)c1 ZINC000821871864 599062097 /nfs/dbraw/zinc/06/20/97/599062097.db2.gz HHVJJPMFCMAKCZ-AWEZNQCLSA-N -1 3 390.447 3.033 20 0 GGADHM Cc1ccc(N2CCC[C@H](Nc3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000822242686 599064547 /nfs/dbraw/zinc/06/45/47/599064547.db2.gz ULIFIOMGHPOKBO-INIZCTEOSA-N -1 3 375.480 3.140 20 0 GGADHM Cc1ccc(N2CCC[C@H](Nc3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000822242686 599064550 /nfs/dbraw/zinc/06/45/50/599064550.db2.gz ULIFIOMGHPOKBO-INIZCTEOSA-N -1 3 375.480 3.140 20 0 GGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(F)cc1F ZINC000736193682 599064844 /nfs/dbraw/zinc/06/48/44/599064844.db2.gz RQYGSEINPNYEJY-MRVPVSSYSA-N -1 3 379.367 3.403 20 0 GGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(F)cc1F ZINC000736193682 599064847 /nfs/dbraw/zinc/06/48/47/599064847.db2.gz RQYGSEINPNYEJY-MRVPVSSYSA-N -1 3 379.367 3.403 20 0 GGADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000738022840 599066997 /nfs/dbraw/zinc/06/69/97/599066997.db2.gz TWBQPXMOXHQEJD-MRXNPFEDSA-N -1 3 387.415 3.257 20 0 GGADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000738022840 599067000 /nfs/dbraw/zinc/06/70/00/599067000.db2.gz TWBQPXMOXHQEJD-MRXNPFEDSA-N -1 3 387.415 3.257 20 0 GGADHM O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737786121 599069148 /nfs/dbraw/zinc/06/91/48/599069148.db2.gz RIUHZPIMLQIRLC-IAGOWNOFSA-N -1 3 395.413 3.440 20 0 GGADHM O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737786121 599069152 /nfs/dbraw/zinc/06/91/52/599069152.db2.gz RIUHZPIMLQIRLC-IAGOWNOFSA-N -1 3 395.413 3.440 20 0 GGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)c1ccco1 ZINC000735511189 599069907 /nfs/dbraw/zinc/06/99/07/599069907.db2.gz FEDFIJOQLQPEIB-LLVKDONJSA-N -1 3 379.342 3.154 20 0 GGADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)c1ccco1 ZINC000735511189 599069910 /nfs/dbraw/zinc/06/99/10/599069910.db2.gz FEDFIJOQLQPEIB-LLVKDONJSA-N -1 3 379.342 3.154 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000737294043 599073217 /nfs/dbraw/zinc/07/32/17/599073217.db2.gz KLUUYQKCDYEVFC-UHFFFAOYSA-N -1 3 392.463 3.042 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000737294043 599073220 /nfs/dbraw/zinc/07/32/20/599073220.db2.gz KLUUYQKCDYEVFC-UHFFFAOYSA-N -1 3 392.463 3.042 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1C(F)(F)F ZINC000735978790 599074292 /nfs/dbraw/zinc/07/42/92/599074292.db2.gz ZJHLFZASXKTNKB-JTQLQIEISA-N -1 3 376.342 3.413 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1C(F)(F)F ZINC000735978790 599074294 /nfs/dbraw/zinc/07/42/94/599074294.db2.gz ZJHLFZASXKTNKB-JTQLQIEISA-N -1 3 376.342 3.413 20 0 GGADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000736359197 599077607 /nfs/dbraw/zinc/07/76/07/599077607.db2.gz YQEBFCQRZSCAKU-SFHVURJKSA-N -1 3 380.452 3.078 20 0 GGADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000736359197 599077610 /nfs/dbraw/zinc/07/76/10/599077610.db2.gz YQEBFCQRZSCAKU-SFHVURJKSA-N -1 3 380.452 3.078 20 0 GGADHM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735732830 599081877 /nfs/dbraw/zinc/08/18/77/599081877.db2.gz BVPSMSANWVGDIQ-MRXNPFEDSA-N -1 3 391.884 3.196 20 0 GGADHM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735732830 599081879 /nfs/dbraw/zinc/08/18/79/599081879.db2.gz BVPSMSANWVGDIQ-MRXNPFEDSA-N -1 3 391.884 3.196 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@H]1C ZINC000736266153 599082358 /nfs/dbraw/zinc/08/23/58/599082358.db2.gz MYMRMJOILFTGKU-KGLIPLIRSA-N -1 3 378.436 3.315 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@H]1C ZINC000736266153 599082361 /nfs/dbraw/zinc/08/23/61/599082361.db2.gz MYMRMJOILFTGKU-KGLIPLIRSA-N -1 3 378.436 3.315 20 0 GGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736266439 599082414 /nfs/dbraw/zinc/08/24/14/599082414.db2.gz OOKBRSDAHIGXJU-UONOGXRCSA-N -1 3 381.436 3.299 20 0 GGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736266439 599082417 /nfs/dbraw/zinc/08/24/17/599082417.db2.gz OOKBRSDAHIGXJU-UONOGXRCSA-N -1 3 381.436 3.299 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H](C)C1CCCCC1 ZINC000737031751 599082736 /nfs/dbraw/zinc/08/27/36/599082736.db2.gz CYJWEVLVBGXAOL-AWEZNQCLSA-N -1 3 387.484 3.119 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H](C)C1CCCCC1 ZINC000737031751 599082740 /nfs/dbraw/zinc/08/27/40/599082740.db2.gz CYJWEVLVBGXAOL-AWEZNQCLSA-N -1 3 387.484 3.119 20 0 GGADHM CCc1cnc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)s1 ZINC000821497761 599083073 /nfs/dbraw/zinc/08/30/73/599083073.db2.gz ZMLUDCMOVJFLTC-UHFFFAOYSA-N -1 3 387.419 3.367 20 0 GGADHM CCc1cnc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)s1 ZINC000821497761 599083075 /nfs/dbraw/zinc/08/30/75/599083075.db2.gz ZMLUDCMOVJFLTC-UHFFFAOYSA-N -1 3 387.419 3.367 20 0 GGADHM CCCCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736440170 599083605 /nfs/dbraw/zinc/08/36/05/599083605.db2.gz AQEDRQSUBRRTBZ-MRXNPFEDSA-N -1 3 379.530 3.281 20 0 GGADHM CCCCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736440170 599083607 /nfs/dbraw/zinc/08/36/07/599083607.db2.gz AQEDRQSUBRRTBZ-MRXNPFEDSA-N -1 3 379.530 3.281 20 0 GGADHM Cc1cccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C ZINC000442940514 599084050 /nfs/dbraw/zinc/08/40/50/599084050.db2.gz CEPFFAKYPOIDPX-GFCCVEGCSA-N -1 3 391.884 3.176 20 0 GGADHM Cc1cccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C ZINC000442940514 599084053 /nfs/dbraw/zinc/08/40/53/599084053.db2.gz CEPFFAKYPOIDPX-GFCCVEGCSA-N -1 3 391.884 3.176 20 0 GGADHM CC(C)(NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000735678852 599085898 /nfs/dbraw/zinc/08/58/98/599085898.db2.gz XUUYUMZANWPBGR-UHFFFAOYSA-N -1 3 377.448 3.364 20 0 GGADHM O[C@H](CCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21)c1ccccc1 ZINC000823675104 599087352 /nfs/dbraw/zinc/08/73/52/599087352.db2.gz UQZDHEYDPYUSMG-OAHLLOKOSA-N -1 3 398.829 3.165 20 0 GGADHM O[C@H](CCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21)c1ccccc1 ZINC000823675104 599087354 /nfs/dbraw/zinc/08/73/54/599087354.db2.gz UQZDHEYDPYUSMG-OAHLLOKOSA-N -1 3 398.829 3.165 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000736183958 599090201 /nfs/dbraw/zinc/09/02/01/599090201.db2.gz UZJPLGGYKKEYON-DRMAHVMPSA-N -1 3 391.475 3.427 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000736183958 599090204 /nfs/dbraw/zinc/09/02/04/599090204.db2.gz UZJPLGGYKKEYON-DRMAHVMPSA-N -1 3 391.475 3.427 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000736183961 599090253 /nfs/dbraw/zinc/09/02/53/599090253.db2.gz UZJPLGGYKKEYON-PASDCYSWSA-N -1 3 391.475 3.427 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000736183961 599090255 /nfs/dbraw/zinc/09/02/55/599090255.db2.gz UZJPLGGYKKEYON-PASDCYSWSA-N -1 3 391.475 3.427 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000735736968 599090455 /nfs/dbraw/zinc/09/04/55/599090455.db2.gz XSSZJGWPGFDMSJ-KPFFTGBYSA-N -1 3 391.475 3.018 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000735736968 599090457 /nfs/dbraw/zinc/09/04/57/599090457.db2.gz XSSZJGWPGFDMSJ-KPFFTGBYSA-N -1 3 391.475 3.018 20 0 GGADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736225171 599093665 /nfs/dbraw/zinc/09/36/65/599093665.db2.gz XCRJZTNVZUYSLX-UGKGYDQZSA-N -1 3 391.475 3.262 20 0 GGADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736225171 599093669 /nfs/dbraw/zinc/09/36/69/599093669.db2.gz XCRJZTNVZUYSLX-UGKGYDQZSA-N -1 3 391.475 3.262 20 0 GGADHM CC(C)[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820044286 599096662 /nfs/dbraw/zinc/09/66/62/599096662.db2.gz DZYOQHVAOWSSCQ-CQSZACIVSA-N -1 3 376.436 3.271 20 0 GGADHM CC(C)[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCS1 ZINC000820044286 599096665 /nfs/dbraw/zinc/09/66/65/599096665.db2.gz DZYOQHVAOWSSCQ-CQSZACIVSA-N -1 3 376.436 3.271 20 0 GGADHM O=C1[C@H](SCc2ccc(F)cc2-c2nnn[n-]2)CCCN1c1ccccc1 ZINC000738295436 599100486 /nfs/dbraw/zinc/10/04/86/599100486.db2.gz HGACEARYAWJOCV-QGZVFWFLSA-N -1 3 383.452 3.435 20 0 GGADHM O=C1[C@H](SCc2ccc(F)cc2-c2nn[n-]n2)CCCN1c1ccccc1 ZINC000738295436 599100487 /nfs/dbraw/zinc/10/04/87/599100487.db2.gz HGACEARYAWJOCV-QGZVFWFLSA-N -1 3 383.452 3.435 20 0 GGADHM CCc1ccc([C@@H]2CCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736682999 599102350 /nfs/dbraw/zinc/10/23/50/599102350.db2.gz DKLZDLVAWQLYEO-KRWDZBQOSA-N -1 3 380.452 3.188 20 0 GGADHM Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737437026 599105421 /nfs/dbraw/zinc/10/54/21/599105421.db2.gz VIVYQBWUDDJVPO-YOEHRIQHSA-N -1 3 379.468 3.328 20 0 GGADHM Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737437026 599105424 /nfs/dbraw/zinc/10/54/24/599105424.db2.gz VIVYQBWUDDJVPO-YOEHRIQHSA-N -1 3 379.468 3.328 20 0 GGADHM C[C@@H]1CCN(C)c2ccccc2N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736277021 599112448 /nfs/dbraw/zinc/11/24/48/599112448.db2.gz RODNXOUVTKNKQK-OAHLLOKOSA-N -1 3 376.464 3.061 20 0 GGADHM C[C@@H]1CCN(C)c2ccccc2N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736277021 599112451 /nfs/dbraw/zinc/11/24/51/599112451.db2.gz RODNXOUVTKNKQK-OAHLLOKOSA-N -1 3 376.464 3.061 20 0 GGADHM COCCN(C(=O)CCCc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987294 599117527 /nfs/dbraw/zinc/11/75/27/599117527.db2.gz BZFBCECGCHXBAK-UHFFFAOYSA-N -1 3 379.464 3.177 20 0 GGADHM COCCN(C(=O)CCCc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987294 599117528 /nfs/dbraw/zinc/11/75/28/599117528.db2.gz BZFBCECGCHXBAK-UHFFFAOYSA-N -1 3 379.464 3.177 20 0 GGADHM COC(=O)[C@@H](Sc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1F ZINC000821650728 599123563 /nfs/dbraw/zinc/12/35/63/599123563.db2.gz XVXUJZSOIBXJKG-INIZCTEOSA-N -1 3 399.451 3.286 20 0 GGADHM COC(=O)[C@@H](Sc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1F ZINC000821650728 599123565 /nfs/dbraw/zinc/12/35/65/599123565.db2.gz XVXUJZSOIBXJKG-INIZCTEOSA-N -1 3 399.451 3.286 20 0 GGADHM C[C@H](CCO)S[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820248734 599127418 /nfs/dbraw/zinc/12/74/18/599127418.db2.gz MVZROFNSTLWJIW-GHMZBOCLSA-N -1 3 395.554 3.028 20 0 GGADHM C[C@H](CCO)S[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820248734 599127421 /nfs/dbraw/zinc/12/74/21/599127421.db2.gz MVZROFNSTLWJIW-GHMZBOCLSA-N -1 3 395.554 3.028 20 0 GGADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SCCOC[C@H]3CCCO3)n2)cc1 ZINC000823766481 599128959 /nfs/dbraw/zinc/12/89/59/599128959.db2.gz DRLPLFDFGGMJAZ-OAHLLOKOSA-N -1 3 383.477 3.216 20 0 GGADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SCCOC[C@H]3CCCO3)n2)cc1 ZINC000823766481 599128962 /nfs/dbraw/zinc/12/89/62/599128962.db2.gz DRLPLFDFGGMJAZ-OAHLLOKOSA-N -1 3 383.477 3.216 20 0 GGADHM C[C@H](O)[C@H](C)S[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820550284 599130640 /nfs/dbraw/zinc/13/06/40/599130640.db2.gz WIAHUHSSTYYJBY-DCAQKATOSA-N -1 3 395.554 3.027 20 0 GGADHM C[C@H](O)[C@H](C)S[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820550284 599130641 /nfs/dbraw/zinc/13/06/41/599130641.db2.gz WIAHUHSSTYYJBY-DCAQKATOSA-N -1 3 395.554 3.027 20 0 GGADHM O=C(OCC(F)(F)F)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738218958 599130885 /nfs/dbraw/zinc/13/08/85/599130885.db2.gz JQCBLFHJJOSWOU-UHFFFAOYSA-N -1 3 378.310 3.165 20 0 GGADHM COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000463300015 599131537 /nfs/dbraw/zinc/13/15/37/599131537.db2.gz LAQPIHNKFFMALW-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000463300015 599131538 /nfs/dbraw/zinc/13/15/38/599131538.db2.gz LAQPIHNKFFMALW-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM CCCCCC[C@@](C)(CC)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821049003 599134626 /nfs/dbraw/zinc/13/46/26/599134626.db2.gz ITVUPMAHPGAEGN-OAQYLSRUSA-N -1 3 399.543 3.297 20 0 GGADHM CCCCCC[C@@](C)(CC)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821049003 599134627 /nfs/dbraw/zinc/13/46/27/599134627.db2.gz ITVUPMAHPGAEGN-OAQYLSRUSA-N -1 3 399.543 3.297 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000820206477 599138987 /nfs/dbraw/zinc/13/89/87/599138987.db2.gz MJGSUYWAIFOTRV-UHFFFAOYSA-N -1 3 395.492 3.211 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000820206477 599138991 /nfs/dbraw/zinc/13/89/91/599138991.db2.gz MJGSUYWAIFOTRV-UHFFFAOYSA-N -1 3 395.492 3.211 20 0 GGADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225467 599139428 /nfs/dbraw/zinc/13/94/28/599139428.db2.gz JLPGBFFKPHRYGQ-STQMWFEESA-N -1 3 381.411 3.092 20 0 GGADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225467 599139430 /nfs/dbraw/zinc/13/94/30/599139430.db2.gz JLPGBFFKPHRYGQ-STQMWFEESA-N -1 3 381.411 3.092 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000821611962 599140026 /nfs/dbraw/zinc/14/00/26/599140026.db2.gz CJZJDQWBROVIRW-UHFFFAOYSA-N -1 3 392.246 3.211 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000821611962 599140027 /nfs/dbraw/zinc/14/00/27/599140027.db2.gz CJZJDQWBROVIRW-UHFFFAOYSA-N -1 3 392.246 3.211 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821608761 599140189 /nfs/dbraw/zinc/14/01/89/599140189.db2.gz UCSLJQZAXBNURQ-KTKRTIGZSA-N -1 3 382.493 3.293 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821608761 599140190 /nfs/dbraw/zinc/14/01/90/599140190.db2.gz UCSLJQZAXBNURQ-KTKRTIGZSA-N -1 3 382.493 3.293 20 0 GGADHM Cc1c(Br)cccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822016040 599140360 /nfs/dbraw/zinc/14/03/60/599140360.db2.gz UJLAEFCZCJQNML-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM Cc1c(Br)cccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822016040 599140363 /nfs/dbraw/zinc/14/03/63/599140363.db2.gz UJLAEFCZCJQNML-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM C[C@@H]1CN(CCCOc2ccc(-c3nn[n-]n3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000736285484 599140941 /nfs/dbraw/zinc/14/09/41/599140941.db2.gz KDSJQKUZYSXQJK-FOIQADDNSA-N -1 3 397.454 3.237 20 0 GGADHM O=C(CCCC1CCCC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822955424 599142883 /nfs/dbraw/zinc/14/28/83/599142883.db2.gz UYQOMOQFRSJNSL-UHFFFAOYSA-N -1 3 382.512 3.266 20 0 GGADHM O=C(CCCC1CCCC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822955424 599142885 /nfs/dbraw/zinc/14/28/85/599142885.db2.gz UYQOMOQFRSJNSL-UHFFFAOYSA-N -1 3 382.512 3.266 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(Br)c1 ZINC000822220206 599149076 /nfs/dbraw/zinc/14/90/76/599149076.db2.gz IAAYQUUWSRJDBQ-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(Br)c1 ZINC000822220206 599149079 /nfs/dbraw/zinc/14/90/79/599149079.db2.gz IAAYQUUWSRJDBQ-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823338035 599152802 /nfs/dbraw/zinc/15/28/02/599152802.db2.gz WVAOWHOAWXKKCT-UHFFFAOYSA-N -1 3 391.366 3.186 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823338035 599152804 /nfs/dbraw/zinc/15/28/04/599152804.db2.gz WVAOWHOAWXKKCT-UHFFFAOYSA-N -1 3 391.366 3.186 20 0 GGADHM Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822431944 599154012 /nfs/dbraw/zinc/15/40/12/599154012.db2.gz QDAIJHAQJDROOO-UHFFFAOYSA-N -1 3 386.456 3.358 20 0 GGADHM Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822431944 599154015 /nfs/dbraw/zinc/15/40/15/599154015.db2.gz QDAIJHAQJDROOO-UHFFFAOYSA-N -1 3 386.456 3.358 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C1CCC(c2ccccc2)CC1 ZINC000823210808 599156561 /nfs/dbraw/zinc/15/65/61/599156561.db2.gz GEGHZHLAKNKYQK-UHFFFAOYSA-N -1 3 391.475 3.336 20 0 GGADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820432800 599157310 /nfs/dbraw/zinc/15/73/10/599157310.db2.gz RZJFUVOFASCGRS-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820432800 599157312 /nfs/dbraw/zinc/15/73/12/599157312.db2.gz RZJFUVOFASCGRS-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735651714 599157917 /nfs/dbraw/zinc/15/79/17/599157917.db2.gz WSDFYHHFPYBLQR-QGZVFWFLSA-N -1 3 396.520 3.184 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735651714 599157919 /nfs/dbraw/zinc/15/79/19/599157919.db2.gz WSDFYHHFPYBLQR-QGZVFWFLSA-N -1 3 396.520 3.184 20 0 GGADHM CCCn1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000821146950 599160137 /nfs/dbraw/zinc/16/01/37/599160137.db2.gz BOBCVMMGIMNUDA-UHFFFAOYSA-N -1 3 388.435 3.469 20 0 GGADHM CC[C@H](C)C[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000820870680 599160508 /nfs/dbraw/zinc/16/05/08/599160508.db2.gz XEFHPCGNGZBXGW-WDEREUQCSA-N -1 3 376.530 3.220 20 0 GGADHM CC[C@H](C)C[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000820870680 599160511 /nfs/dbraw/zinc/16/05/11/599160511.db2.gz XEFHPCGNGZBXGW-WDEREUQCSA-N -1 3 376.530 3.220 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000736634769 599160594 /nfs/dbraw/zinc/16/05/94/599160594.db2.gz ILCJFMHVIHOSSJ-NEPJUHHUSA-N -1 3 385.374 3.286 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000736634769 599160596 /nfs/dbraw/zinc/16/05/96/599160596.db2.gz ILCJFMHVIHOSSJ-NEPJUHHUSA-N -1 3 385.374 3.286 20 0 GGADHM c1ccc2oc(SCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)nc2c1 ZINC000738442425 599161328 /nfs/dbraw/zinc/16/13/28/599161328.db2.gz NQKRQLQRFJUQPM-UHFFFAOYSA-N -1 3 377.389 3.350 20 0 GGADHM c1ccc2oc(SCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)nc2c1 ZINC000738442425 599161330 /nfs/dbraw/zinc/16/13/30/599161330.db2.gz NQKRQLQRFJUQPM-UHFFFAOYSA-N -1 3 377.389 3.350 20 0 GGADHM COc1ccnc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737155943 599161491 /nfs/dbraw/zinc/16/14/91/599161491.db2.gz PDAAACVNMBAOAJ-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822419707 599164378 /nfs/dbraw/zinc/16/43/78/599164378.db2.gz SPNHHWABCTWMHO-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822419707 599164379 /nfs/dbraw/zinc/16/43/79/599164379.db2.gz SPNHHWABCTWMHO-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM Cc1ccc(-c2cnn(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)c2)cc1 ZINC000737286836 599166735 /nfs/dbraw/zinc/16/67/35/599166735.db2.gz AAGMARZXGBPIFE-UHFFFAOYSA-N -1 3 384.403 3.137 20 0 GGADHM Cc1ccc(-c2cnn(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)c2)cc1 ZINC000737286836 599166738 /nfs/dbraw/zinc/16/67/38/599166738.db2.gz AAGMARZXGBPIFE-UHFFFAOYSA-N -1 3 384.403 3.137 20 0 GGADHM O=C(CCCOc1ccccc1Cl)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822959296 599167049 /nfs/dbraw/zinc/16/70/49/599167049.db2.gz XFRYRFCZBCCISE-UHFFFAOYSA-N -1 3 389.818 3.135 20 0 GGADHM O=C(CCCOc1ccccc1Cl)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822959296 599167050 /nfs/dbraw/zinc/16/70/50/599167050.db2.gz XFRYRFCZBCCISE-UHFFFAOYSA-N -1 3 389.818 3.135 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000738269823 599168311 /nfs/dbraw/zinc/16/83/11/599168311.db2.gz RDQKKSCJWLPONM-INIZCTEOSA-N -1 3 385.880 3.450 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000738269823 599168313 /nfs/dbraw/zinc/16/83/13/599168313.db2.gz RDQKKSCJWLPONM-INIZCTEOSA-N -1 3 385.880 3.450 20 0 GGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1c(F)cccc1F ZINC000736192859 599168714 /nfs/dbraw/zinc/16/87/14/599168714.db2.gz MZVNZIDPASUVIC-MRVPVSSYSA-N -1 3 379.367 3.403 20 0 GGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1c(F)cccc1F ZINC000736192859 599168715 /nfs/dbraw/zinc/16/87/15/599168715.db2.gz MZVNZIDPASUVIC-MRVPVSSYSA-N -1 3 379.367 3.403 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736350798 599168851 /nfs/dbraw/zinc/16/88/51/599168851.db2.gz BTQYVBZOQWUOQE-INIZCTEOSA-N -1 3 384.871 3.070 20 0 GGADHM Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737425910 599169197 /nfs/dbraw/zinc/16/91/97/599169197.db2.gz GWMABZXKBRMZOK-ZDUSSCGKSA-N -1 3 385.468 3.453 20 0 GGADHM Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737425910 599169199 /nfs/dbraw/zinc/16/91/99/599169199.db2.gz GWMABZXKBRMZOK-ZDUSSCGKSA-N -1 3 385.468 3.453 20 0 GGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccnc1Cl ZINC000736189376 599170516 /nfs/dbraw/zinc/17/05/16/599170516.db2.gz BXZQXGWATKEHHZ-MRVPVSSYSA-N -1 3 378.820 3.174 20 0 GGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccnc1Cl ZINC000736189376 599170517 /nfs/dbraw/zinc/17/05/17/599170517.db2.gz BXZQXGWATKEHHZ-MRVPVSSYSA-N -1 3 378.820 3.174 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820683470 599171020 /nfs/dbraw/zinc/17/10/20/599171020.db2.gz BMMYCBFSFFVCFA-QBIMZIAESA-N -1 3 389.475 3.099 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820683470 599171021 /nfs/dbraw/zinc/17/10/21/599171021.db2.gz BMMYCBFSFFVCFA-QBIMZIAESA-N -1 3 389.475 3.099 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000819965409 599171233 /nfs/dbraw/zinc/17/12/33/599171233.db2.gz FRZCVQUCMYIKMA-ALCCZGGFSA-N -1 3 386.456 3.089 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000819965409 599171236 /nfs/dbraw/zinc/17/12/36/599171236.db2.gz FRZCVQUCMYIKMA-ALCCZGGFSA-N -1 3 386.456 3.089 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000736192093 599171277 /nfs/dbraw/zinc/17/12/77/599171277.db2.gz KTRKWBIXQOCYJW-MCYUEQNJSA-N -1 3 377.489 3.427 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000736192093 599171278 /nfs/dbraw/zinc/17/12/78/599171278.db2.gz KTRKWBIXQOCYJW-MCYUEQNJSA-N -1 3 377.489 3.427 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCc4ccccc4CC3)c2c1 ZINC000737645220 599171665 /nfs/dbraw/zinc/17/16/65/599171665.db2.gz SKABATMWVZCRNH-UHFFFAOYSA-N -1 3 378.386 3.298 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCc4ccccc4CC3)c2c1 ZINC000737645220 599171667 /nfs/dbraw/zinc/17/16/67/599171667.db2.gz SKABATMWVZCRNH-UHFFFAOYSA-N -1 3 378.386 3.298 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCc1nc(-c2ccncc2)no1 ZINC000737645476 599172285 /nfs/dbraw/zinc/17/22/85/599172285.db2.gz ZSYOHSIKPPWDFB-UHFFFAOYSA-N -1 3 383.412 3.176 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCc1nc(-c2ccncc2)no1 ZINC000737645476 599172286 /nfs/dbraw/zinc/17/22/86/599172286.db2.gz ZSYOHSIKPPWDFB-UHFFFAOYSA-N -1 3 383.412 3.176 20 0 GGADHM CCCOc1ccc(CCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821134017 599173833 /nfs/dbraw/zinc/17/38/33/599173833.db2.gz KKYWQJRARIPKBH-UHFFFAOYSA-N -1 3 383.427 3.044 20 0 GGADHM CCCOc1ccc(CCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821134017 599173836 /nfs/dbraw/zinc/17/38/36/599173836.db2.gz KKYWQJRARIPKBH-UHFFFAOYSA-N -1 3 383.427 3.044 20 0 GGADHM Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)o1 ZINC000737331965 599175118 /nfs/dbraw/zinc/17/51/18/599175118.db2.gz NFHPXGJCZSOIFT-GXTWGEPZSA-N -1 3 384.440 3.142 20 0 GGADHM Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000737331965 599175119 /nfs/dbraw/zinc/17/51/19/599175119.db2.gz NFHPXGJCZSOIFT-GXTWGEPZSA-N -1 3 384.440 3.142 20 0 GGADHM CNC(=O)c1cccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000736882462 599178273 /nfs/dbraw/zinc/17/82/73/599178273.db2.gz PEXGHPSGTGKPDJ-UHFFFAOYSA-N -1 3 399.410 3.113 20 0 GGADHM CNC(=O)c1cccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000736882462 599178276 /nfs/dbraw/zinc/17/82/76/599178276.db2.gz PEXGHPSGTGKPDJ-UHFFFAOYSA-N -1 3 399.410 3.113 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735648818 599179859 /nfs/dbraw/zinc/17/98/59/599179859.db2.gz HSYWRBXZPZDAFE-QGZVFWFLSA-N -1 3 380.452 3.019 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648818 599179862 /nfs/dbraw/zinc/17/98/62/599179862.db2.gz HSYWRBXZPZDAFE-QGZVFWFLSA-N -1 3 380.452 3.019 20 0 GGADHM C[C@H](CC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735978374 599184404 /nfs/dbraw/zinc/18/44/04/599184404.db2.gz VCHFZXLPBWWMBI-CYBMUJFWSA-N -1 3 379.395 3.496 20 0 GGADHM C[C@H](CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735978374 599184407 /nfs/dbraw/zinc/18/44/07/599184407.db2.gz VCHFZXLPBWWMBI-CYBMUJFWSA-N -1 3 379.395 3.496 20 0 GGADHM O=C(CCCOc1ccc(Cl)cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822958855 599184484 /nfs/dbraw/zinc/18/44/84/599184484.db2.gz KEVULRMFFZFCBA-UHFFFAOYSA-N -1 3 389.818 3.135 20 0 GGADHM O=C(CCCOc1ccc(Cl)cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822958855 599184486 /nfs/dbraw/zinc/18/44/86/599184486.db2.gz KEVULRMFFZFCBA-UHFFFAOYSA-N -1 3 389.818 3.135 20 0 GGADHM Cc1ccncc1C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000737279149 599185772 /nfs/dbraw/zinc/18/57/72/599185772.db2.gz HKXQWWWXEYJGBM-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM CS[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000821949843 599186016 /nfs/dbraw/zinc/18/60/16/599186016.db2.gz JKMMRQUKJWKAJB-XJKSGUPXSA-N -1 3 399.476 3.053 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cnc2ccsc2c1 ZINC000738146061 599188211 /nfs/dbraw/zinc/18/82/11/599188211.db2.gz OTGFITAJVKTCKW-UHFFFAOYSA-N -1 3 388.359 3.330 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cnc2ccsc2c1 ZINC000738146061 599188214 /nfs/dbraw/zinc/18/82/14/599188214.db2.gz OTGFITAJVKTCKW-UHFFFAOYSA-N -1 3 388.359 3.330 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCC[C@@H]1c1ccco1 ZINC000738144162 599189133 /nfs/dbraw/zinc/18/91/33/599189133.db2.gz ABKIGSQYKPMUQX-GFCCVEGCSA-N -1 3 390.350 3.430 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCC[C@@H]1c1ccco1 ZINC000738144162 599189136 /nfs/dbraw/zinc/18/91/36/599189136.db2.gz ABKIGSQYKPMUQX-GFCCVEGCSA-N -1 3 390.350 3.430 20 0 GGADHM Cc1ccc(CCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737337747 599189596 /nfs/dbraw/zinc/18/95/96/599189596.db2.gz QDJIIWQABDYHGP-UHFFFAOYSA-N -1 3 388.378 3.141 20 0 GGADHM Cc1ccc(CCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737337747 599189599 /nfs/dbraw/zinc/18/95/99/599189599.db2.gz QDJIIWQABDYHGP-UHFFFAOYSA-N -1 3 388.378 3.141 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000820666420 599190065 /nfs/dbraw/zinc/19/00/65/599190065.db2.gz HTRJQWJNFWUKJK-QWQRMKEZSA-N -1 3 395.438 3.383 20 0 GGADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000821949840 599186128 /nfs/dbraw/zinc/18/61/28/599186128.db2.gz JKMMRQUKJWKAJB-CZUORRHYSA-N -1 3 399.476 3.053 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000737062054 599187462 /nfs/dbraw/zinc/18/74/62/599187462.db2.gz DVTVNZMUAUTBDC-UHFFFAOYSA-N -1 3 396.794 3.436 20 0 GGADHM C[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)S1 ZINC000820743886 599187731 /nfs/dbraw/zinc/18/77/31/599187731.db2.gz WKRBNTNAEGUGLG-CHWSQXEVSA-N -1 3 399.476 3.005 20 0 GGADHM C[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)S1 ZINC000820743886 599187734 /nfs/dbraw/zinc/18/77/34/599187734.db2.gz WKRBNTNAEGUGLG-CHWSQXEVSA-N -1 3 399.476 3.005 20 0 GGADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000738194654 599191046 /nfs/dbraw/zinc/19/10/46/599191046.db2.gz GRVGKAXBYYAOTB-UHFFFAOYSA-N -1 3 396.332 3.020 20 0 GGADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000738194654 599191049 /nfs/dbraw/zinc/19/10/49/599191049.db2.gz GRVGKAXBYYAOTB-UHFFFAOYSA-N -1 3 396.332 3.020 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000820666420 599190068 /nfs/dbraw/zinc/19/00/68/599190068.db2.gz HTRJQWJNFWUKJK-QWQRMKEZSA-N -1 3 395.438 3.383 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)CCO1 ZINC000736294628 599194926 /nfs/dbraw/zinc/19/49/26/599194926.db2.gz XOKUJKQVQLTLLF-GFCCVEGCSA-N -1 3 399.838 3.173 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738261913 599197846 /nfs/dbraw/zinc/19/78/46/599197846.db2.gz XGNYLQGJTYMZRB-UHFFFAOYSA-N -1 3 382.855 3.010 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738261913 599197851 /nfs/dbraw/zinc/19/78/51/599197851.db2.gz XGNYLQGJTYMZRB-UHFFFAOYSA-N -1 3 382.855 3.010 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)CCO1 ZINC000736294626 599194699 /nfs/dbraw/zinc/19/46/99/599194699.db2.gz XNTGIEFSRNIDEL-GFCCVEGCSA-N -1 3 399.838 3.173 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)CCO1 ZINC000736294626 599194701 /nfs/dbraw/zinc/19/47/01/599194701.db2.gz XNTGIEFSRNIDEL-GFCCVEGCSA-N -1 3 399.838 3.173 20 0 GGADHM COCCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989498 599202278 /nfs/dbraw/zinc/20/22/78/599202278.db2.gz VGSXNFQHTBNQLD-ROUUACIJSA-N -1 3 397.866 3.303 20 0 GGADHM COCCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989498 599202280 /nfs/dbraw/zinc/20/22/80/599202280.db2.gz VGSXNFQHTBNQLD-ROUUACIJSA-N -1 3 397.866 3.303 20 0 GGADHM COCCN(C(=O)C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736990090 599204888 /nfs/dbraw/zinc/20/48/88/599204888.db2.gz YTMPBJJVVXSHIG-WCIBSUBMSA-N -1 3 383.839 3.213 20 0 GGADHM COCCN(C(=O)C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736990090 599204889 /nfs/dbraw/zinc/20/48/89/599204889.db2.gz YTMPBJJVVXSHIG-WCIBSUBMSA-N -1 3 383.839 3.213 20 0 GGADHM COCCN(C(=O)C=C(C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989203 599204912 /nfs/dbraw/zinc/20/49/12/599204912.db2.gz SGSKFCZLZDEYCN-YPKPFQOOSA-N -1 3 381.411 3.089 20 0 GGADHM COCCN(C(=O)C=C(C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989203 599204913 /nfs/dbraw/zinc/20/49/13/599204913.db2.gz SGSKFCZLZDEYCN-YPKPFQOOSA-N -1 3 381.411 3.089 20 0 GGADHM COCCN(C(=O)c1cc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989278 599204960 /nfs/dbraw/zinc/20/49/60/599204960.db2.gz YAGGIPCGNMNUJS-UHFFFAOYSA-N -1 3 383.477 3.100 20 0 GGADHM COCCN(C(=O)c1cc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989278 599204961 /nfs/dbraw/zinc/20/49/61/599204961.db2.gz YAGGIPCGNMNUJS-UHFFFAOYSA-N -1 3 383.477 3.100 20 0 GGADHM COCCN(C(=O)CSc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987981 599203942 /nfs/dbraw/zinc/20/39/42/599203942.db2.gz IAJJERNHTQZLMV-UHFFFAOYSA-N -1 3 397.504 3.255 20 0 GGADHM COCCN(C(=O)CSc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987981 599203943 /nfs/dbraw/zinc/20/39/43/599203943.db2.gz IAJJERNHTQZLMV-UHFFFAOYSA-N -1 3 397.504 3.255 20 0 GGADHM CC(C)(CCCc1ccccc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735664769 599213036 /nfs/dbraw/zinc/21/30/36/599213036.db2.gz QVMBLTFRWJXUSJ-UHFFFAOYSA-N -1 3 393.491 3.411 20 0 GGADHM CC[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCS1 ZINC000820989414 599214397 /nfs/dbraw/zinc/21/43/97/599214397.db2.gz RVQBABTZINYHFM-INIZCTEOSA-N -1 3 396.476 3.022 20 0 GGADHM CC[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCS1 ZINC000820989414 599214399 /nfs/dbraw/zinc/21/43/99/599214399.db2.gz RVQBABTZINYHFM-INIZCTEOSA-N -1 3 396.476 3.022 20 0 GGADHM Cc1c2cc(F)ccc2sc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737214330 599214608 /nfs/dbraw/zinc/21/46/08/599214608.db2.gz IGQPHWHVUQFWSO-UHFFFAOYSA-N -1 3 397.435 3.338 20 0 GGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820021730 599215408 /nfs/dbraw/zinc/21/54/08/599215408.db2.gz XXFWBKPUBFKXTP-LJQANCHMSA-N -1 3 381.455 3.322 20 0 GGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820021730 599215411 /nfs/dbraw/zinc/21/54/11/599215411.db2.gz XXFWBKPUBFKXTP-LJQANCHMSA-N -1 3 381.455 3.322 20 0 GGADHM Cc1ccc2[nH]c(C(=O)OCCOc3ccccc3-c3nnn[n-]3)cc2c1C ZINC000737372586 599216694 /nfs/dbraw/zinc/21/66/94/599216694.db2.gz HAJMNEUZMVWUIG-UHFFFAOYSA-N -1 3 377.404 3.201 20 0 GGADHM Cc1ccc2[nH]c(C(=O)OCCOc3ccccc3-c3nn[n-]n3)cc2c1C ZINC000737372586 599216696 /nfs/dbraw/zinc/21/66/96/599216696.db2.gz HAJMNEUZMVWUIG-UHFFFAOYSA-N -1 3 377.404 3.201 20 0 GGADHM O=C(OCCCCO)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738220339 599217246 /nfs/dbraw/zinc/21/72/46/599217246.db2.gz GHWNZGALPHTVBE-UHFFFAOYSA-N -1 3 388.811 3.242 20 0 GGADHM Cn1cccc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822688903 599219063 /nfs/dbraw/zinc/21/90/63/599219063.db2.gz CWWHMKSHONFSLN-UHFFFAOYSA-N -1 3 378.367 3.389 20 0 GGADHM Cn1cccc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822688903 599219064 /nfs/dbraw/zinc/21/90/64/599219064.db2.gz CWWHMKSHONFSLN-UHFFFAOYSA-N -1 3 378.367 3.389 20 0 GGADHM Cc1c(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)cnn1C ZINC000822021363 599219209 /nfs/dbraw/zinc/21/92/09/599219209.db2.gz YEKVCFMQAFUHGX-UHFFFAOYSA-N -1 3 393.382 3.092 20 0 GGADHM Cc1c(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)cnn1C ZINC000822021363 599219211 /nfs/dbraw/zinc/21/92/11/599219211.db2.gz YEKVCFMQAFUHGX-UHFFFAOYSA-N -1 3 393.382 3.092 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)on1 ZINC000822176225 599220895 /nfs/dbraw/zinc/22/08/95/599220895.db2.gz HMWVCDLCKLCKPK-UHFFFAOYSA-N -1 3 380.339 3.347 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)on1 ZINC000822176225 599220898 /nfs/dbraw/zinc/22/08/98/599220898.db2.gz HMWVCDLCKLCKPK-UHFFFAOYSA-N -1 3 380.339 3.347 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000823044545 599221631 /nfs/dbraw/zinc/22/16/31/599221631.db2.gz VGANJSULWOGROY-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000823044545 599221633 /nfs/dbraw/zinc/22/16/33/599221633.db2.gz VGANJSULWOGROY-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000736183138 599222021 /nfs/dbraw/zinc/22/20/21/599222021.db2.gz RNNJUGGEZDOGSB-XYJFISCASA-N -1 3 391.475 3.286 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000736183138 599222023 /nfs/dbraw/zinc/22/20/23/599222023.db2.gz RNNJUGGEZDOGSB-XYJFISCASA-N -1 3 391.475 3.286 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3cccc(COc4cccc(-c5nnn[n-]5)c4)c3)C[C@@H]21 ZINC000736203793 599223262 /nfs/dbraw/zinc/22/32/62/599223262.db2.gz DCKZAYADUNKLSW-KDURUIRLSA-N -1 3 389.459 3.174 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3cccc(COc4cccc(-c5nn[n-]n5)c4)c3)C[C@@H]21 ZINC000736203793 599223265 /nfs/dbraw/zinc/22/32/65/599223265.db2.gz DCKZAYADUNKLSW-KDURUIRLSA-N -1 3 389.459 3.174 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000737419878 599224034 /nfs/dbraw/zinc/22/40/34/599224034.db2.gz CJKNCVHDNCGABH-OXQOHEQNSA-N -1 3 391.475 3.096 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)CO1 ZINC000737419878 599224037 /nfs/dbraw/zinc/22/40/37/599224037.db2.gz CJKNCVHDNCGABH-OXQOHEQNSA-N -1 3 391.475 3.096 20 0 GGADHM CCCC[C@H](CC)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736437460 599224498 /nfs/dbraw/zinc/22/44/98/599224498.db2.gz FOSXXZYXOZGACA-HNNXBMFYSA-N -1 3 388.491 3.261 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)CO1 ZINC000737419874 599224510 /nfs/dbraw/zinc/22/45/10/599224510.db2.gz CJKNCVHDNCGABH-OXJNMPFZSA-N -1 3 391.475 3.096 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)CO1 ZINC000737419874 599224512 /nfs/dbraw/zinc/22/45/12/599224512.db2.gz CJKNCVHDNCGABH-OXJNMPFZSA-N -1 3 391.475 3.096 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCc2ccccc2C1 ZINC000737931167 599224708 /nfs/dbraw/zinc/22/47/08/599224708.db2.gz FRHPWYZLDVUXBX-MRXNPFEDSA-N -1 3 393.516 3.021 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCc2ccccc2C1 ZINC000737931167 599224711 /nfs/dbraw/zinc/22/47/11/599224711.db2.gz FRHPWYZLDVUXBX-MRXNPFEDSA-N -1 3 393.516 3.021 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)NC1(c2ccccc2)CCC1 ZINC000823060752 599224893 /nfs/dbraw/zinc/22/48/93/599224893.db2.gz KLDMHTRYQHKIFL-UHFFFAOYSA-N -1 3 397.479 3.435 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)NC1(c2ccccc2)CCC1 ZINC000823060752 599224896 /nfs/dbraw/zinc/22/48/96/599224896.db2.gz KLDMHTRYQHKIFL-UHFFFAOYSA-N -1 3 397.479 3.435 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736169605 599225539 /nfs/dbraw/zinc/22/55/39/599225539.db2.gz LNCFLFXXSIKPKY-HNNXBMFYSA-N -1 3 379.464 3.019 20 0 GGADHM CCOc1ccccc1OCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821436500 599225798 /nfs/dbraw/zinc/22/57/98/599225798.db2.gz AOUOIYRGOXOJLW-UHFFFAOYSA-N -1 3 399.476 3.016 20 0 GGADHM CCOc1ccccc1OCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821436500 599225801 /nfs/dbraw/zinc/22/58/01/599225801.db2.gz AOUOIYRGOXOJLW-UHFFFAOYSA-N -1 3 399.476 3.016 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000736187349 599226049 /nfs/dbraw/zinc/22/60/49/599226049.db2.gz IKWWHSIFUAOJFA-NSHDSACASA-N -1 3 391.353 3.378 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000736187349 599226051 /nfs/dbraw/zinc/22/60/51/599226051.db2.gz IKWWHSIFUAOJFA-NSHDSACASA-N -1 3 391.353 3.378 20 0 GGADHM COc1cccc(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737121425 599226377 /nfs/dbraw/zinc/22/63/77/599226377.db2.gz YMSCUPUSKPEFKU-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM COc1cccc(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737121425 599226379 /nfs/dbraw/zinc/22/63/79/599226379.db2.gz YMSCUPUSKPEFKU-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM Cc1cccc(F)c1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822309292 599229480 /nfs/dbraw/zinc/22/94/80/599229480.db2.gz SUXFXMLHJAJXEG-UHFFFAOYSA-N -1 3 376.848 3.454 20 0 GGADHM Cc1cccc(F)c1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822309292 599229483 /nfs/dbraw/zinc/22/94/83/599229483.db2.gz SUXFXMLHJAJXEG-UHFFFAOYSA-N -1 3 376.848 3.454 20 0 GGADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823397694 607261718 /nfs/dbraw/zinc/26/17/18/607261718.db2.gz ZEKDAIIIFGJGEX-HXUWFJFHSA-N -1 3 396.406 3.498 20 0 GGADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823397694 607261719 /nfs/dbraw/zinc/26/17/19/607261719.db2.gz ZEKDAIIIFGJGEX-HXUWFJFHSA-N -1 3 396.406 3.498 20 0 GGADHM COc1cccc(N2CCC[C@H](Nc3c(F)cc(-c4nnn[n-]4)cc3F)C2)c1 ZINC000737137168 599231601 /nfs/dbraw/zinc/23/16/01/599231601.db2.gz BKJGFYYNVTWIMM-ZDUSSCGKSA-N -1 3 386.406 3.234 20 0 GGADHM COc1cccc(N2CCC[C@H](Nc3c(F)cc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737137168 599231602 /nfs/dbraw/zinc/23/16/02/599231602.db2.gz BKJGFYYNVTWIMM-ZDUSSCGKSA-N -1 3 386.406 3.234 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821717653 607262289 /nfs/dbraw/zinc/26/22/89/607262289.db2.gz SCACZEMSBVKTIV-UHFFFAOYSA-N -1 3 379.207 3.138 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821717653 607262290 /nfs/dbraw/zinc/26/22/90/607262290.db2.gz SCACZEMSBVKTIV-UHFFFAOYSA-N -1 3 379.207 3.138 20 0 GGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000736009123 599232767 /nfs/dbraw/zinc/23/27/67/599232767.db2.gz WIDYWGBEQCDGSG-NHAQELONSA-N -1 3 383.839 3.117 20 0 GGADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000736009123 599232769 /nfs/dbraw/zinc/23/27/69/599232769.db2.gz WIDYWGBEQCDGSG-NHAQELONSA-N -1 3 383.839 3.117 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736233039 599226595 /nfs/dbraw/zinc/22/65/95/599226595.db2.gz DXJOHESZCSAIIY-GFJSAUFNSA-N -1 3 397.866 3.412 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736233039 599226597 /nfs/dbraw/zinc/22/65/97/599226597.db2.gz DXJOHESZCSAIIY-GFJSAUFNSA-N -1 3 397.866 3.412 20 0 GGADHM C[C@@H]1C[C@H]1[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736235625 599226735 /nfs/dbraw/zinc/22/67/35/599226735.db2.gz OUPONUVHTPMTGF-QHLBDZCJSA-N -1 3 397.866 3.412 20 0 GGADHM C[C@@H]1C[C@H]1[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736235625 599226737 /nfs/dbraw/zinc/22/67/37/599226737.db2.gz OUPONUVHTPMTGF-QHLBDZCJSA-N -1 3 397.866 3.412 20 0 GGADHM COc1cccc(CCCSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821868107 599227036 /nfs/dbraw/zinc/22/70/36/599227036.db2.gz OHXNTZDNVXJUNN-UHFFFAOYSA-N -1 3 383.477 3.180 20 0 GGADHM COc1cccc(CCCSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821868107 599227038 /nfs/dbraw/zinc/22/70/38/599227038.db2.gz OHXNTZDNVXJUNN-UHFFFAOYSA-N -1 3 383.477 3.180 20 0 GGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823111792 607265111 /nfs/dbraw/zinc/26/51/11/607265111.db2.gz NMYTWYSVVPUKOM-UHFFFAOYSA-N -1 3 395.316 3.128 20 0 GGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823111792 607265112 /nfs/dbraw/zinc/26/51/12/607265112.db2.gz NMYTWYSVVPUKOM-UHFFFAOYSA-N -1 3 395.316 3.128 20 0 GGADHM COc1ccc(Cl)c(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821825353 599228171 /nfs/dbraw/zinc/22/81/71/599228171.db2.gz XYBBRKFKTURFRH-UHFFFAOYSA-N -1 3 392.847 3.154 20 0 GGADHM COc1ccc(Cl)c(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821825353 599228172 /nfs/dbraw/zinc/22/81/72/599228172.db2.gz XYBBRKFKTURFRH-UHFFFAOYSA-N -1 3 392.847 3.154 20 0 GGADHM CC[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000736413798 599228218 /nfs/dbraw/zinc/22/82/18/599228218.db2.gz ZNMLYQKTIOCWJZ-CQSZACIVSA-N -1 3 381.461 3.163 20 0 GGADHM CC[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736413798 599228219 /nfs/dbraw/zinc/22/82/19/599228219.db2.gz ZNMLYQKTIOCWJZ-CQSZACIVSA-N -1 3 381.461 3.163 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737337922 599234181 /nfs/dbraw/zinc/23/41/81/599234181.db2.gz LZBRAWZCACQDBD-ZDUSSCGKSA-N -1 3 385.493 3.139 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737337922 599234184 /nfs/dbraw/zinc/23/41/84/599234184.db2.gz LZBRAWZCACQDBD-ZDUSSCGKSA-N -1 3 385.493 3.139 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccc(Cl)cc1 ZINC000819803993 607268521 /nfs/dbraw/zinc/26/85/21/607268521.db2.gz SBCAFTMTHYVVMQ-QGZVFWFLSA-N -1 3 398.854 3.035 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccc(Cl)cc1 ZINC000819803993 607268522 /nfs/dbraw/zinc/26/85/22/607268522.db2.gz SBCAFTMTHYVVMQ-QGZVFWFLSA-N -1 3 398.854 3.035 20 0 GGADHM Cc1c(NC(=O)CCC(=O)CCC(=O)c2cccs2)cccc1-c1nnn[n-]1 ZINC000822066639 607268650 /nfs/dbraw/zinc/26/86/50/607268650.db2.gz GORPRDUXVMWZRJ-UHFFFAOYSA-N -1 3 397.460 3.188 20 0 GGADHM Cc1c(NC(=O)CCC(=O)CCC(=O)c2cccs2)cccc1-c1nn[n-]n1 ZINC000822066639 607268651 /nfs/dbraw/zinc/26/86/51/607268651.db2.gz GORPRDUXVMWZRJ-UHFFFAOYSA-N -1 3 397.460 3.188 20 0 GGADHM CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821028777 599236177 /nfs/dbraw/zinc/23/61/77/599236177.db2.gz ZRGHPONNYOAPAC-INIZCTEOSA-N -1 3 383.905 3.111 20 0 GGADHM CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821028777 599236179 /nfs/dbraw/zinc/23/61/79/599236179.db2.gz ZRGHPONNYOAPAC-INIZCTEOSA-N -1 3 383.905 3.111 20 0 GGADHM CCCCc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821077466 599238628 /nfs/dbraw/zinc/23/86/28/599238628.db2.gz GUIPQZIMGSLNIO-UHFFFAOYSA-N -1 3 380.452 3.410 20 0 GGADHM CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000735931976 599239891 /nfs/dbraw/zinc/23/98/91/599239891.db2.gz HWKFAVCKZHTYPD-HNNXBMFYSA-N -1 3 382.493 3.466 20 0 GGADHM CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000735931976 599239893 /nfs/dbraw/zinc/23/98/93/599239893.db2.gz HWKFAVCKZHTYPD-HNNXBMFYSA-N -1 3 382.493 3.466 20 0 GGADHM Cc1c(NC(=O)Cc2csc(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000822077809 607270092 /nfs/dbraw/zinc/27/00/92/607270092.db2.gz YKNLJHPOYZJJRE-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1c(NC(=O)Cc2csc(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000822077809 607270093 /nfs/dbraw/zinc/27/00/93/607270093.db2.gz YKNLJHPOYZJJRE-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cn1cc(CNCc2ccc(C(=O)[O-])cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000262724389 597134788 /nfs/dbraw/zinc/13/47/88/597134788.db2.gz YAWTWQDEIQEOFE-UHFFFAOYSA-N -1 3 393.443 3.236 20 0 GGADHM Cc1c(NC(=O)c2cc(OCc3ccccc3)ccn2)cccc1-c1nnn[n-]1 ZINC000822110182 607269128 /nfs/dbraw/zinc/26/91/28/607269128.db2.gz ZCCQQBTZIWZBBQ-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1c(NC(=O)c2cc(OCc3ccccc3)ccn2)cccc1-c1nn[n-]n1 ZINC000822110182 607269129 /nfs/dbraw/zinc/26/91/29/607269129.db2.gz ZCCQQBTZIWZBBQ-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM CCC(CC)n1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000820897887 607275522 /nfs/dbraw/zinc/27/55/22/607275522.db2.gz PTSVUDJTMGJKOK-UHFFFAOYSA-N -1 3 379.468 3.229 20 0 GGADHM CCC(CC)n1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000820897887 607275523 /nfs/dbraw/zinc/27/55/23/607275523.db2.gz PTSVUDJTMGJKOK-UHFFFAOYSA-N -1 3 379.468 3.229 20 0 GGADHM CN(C)c1cccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736781036 599246084 /nfs/dbraw/zinc/24/60/84/599246084.db2.gz VIIHHSLIVJRXKV-SFHVURJKSA-N -1 3 393.520 3.467 20 0 GGADHM CN(C)c1cccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736781036 599246087 /nfs/dbraw/zinc/24/60/87/599246087.db2.gz VIIHHSLIVJRXKV-SFHVURJKSA-N -1 3 393.520 3.467 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000736234048 599249339 /nfs/dbraw/zinc/24/93/39/599249339.db2.gz HUUOPGPPPDRQBY-QWQRMKEZSA-N -1 3 395.438 3.383 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000736234048 599249340 /nfs/dbraw/zinc/24/93/40/599249340.db2.gz HUUOPGPPPDRQBY-QWQRMKEZSA-N -1 3 395.438 3.383 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000736637255 599247809 /nfs/dbraw/zinc/24/78/09/599247809.db2.gz VESIDACIGGCYIO-CSKARUKUSA-N -1 3 386.415 3.466 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000736637255 599247811 /nfs/dbraw/zinc/24/78/11/599247811.db2.gz VESIDACIGGCYIO-CSKARUKUSA-N -1 3 386.415 3.466 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000818102147 597198654 /nfs/dbraw/zinc/19/86/54/597198654.db2.gz LYMGLNLIUULGDI-KRWDZBQOSA-N -1 3 381.476 3.442 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737948732 597199191 /nfs/dbraw/zinc/19/91/91/597199191.db2.gz BTFHRHBLRJGSCO-UHFFFAOYSA-N -1 3 391.418 3.188 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823219756 599248081 /nfs/dbraw/zinc/24/80/81/599248081.db2.gz PGHUJLJYZRWNGL-UHFFFAOYSA-N -1 3 381.827 3.366 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823219756 599248085 /nfs/dbraw/zinc/24/80/85/599248085.db2.gz PGHUJLJYZRWNGL-UHFFFAOYSA-N -1 3 381.827 3.366 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccnn1C(CC)CC ZINC000821104595 607274880 /nfs/dbraw/zinc/27/48/80/607274880.db2.gz JPPVZLMLKJAMSS-UHFFFAOYSA-N -1 3 381.484 3.477 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccnn1C(CC)CC ZINC000821104595 607274881 /nfs/dbraw/zinc/27/48/81/607274881.db2.gz JPPVZLMLKJAMSS-UHFFFAOYSA-N -1 3 381.484 3.477 20 0 GGADHM O=C(/C=C\C1CCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737795313 599248890 /nfs/dbraw/zinc/24/88/90/599248890.db2.gz IWZRIXKEXLCZQU-WDZFZDKYSA-N -1 3 381.480 3.373 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000823318863 607275102 /nfs/dbraw/zinc/27/51/02/607275102.db2.gz MFAIYMKVJRBWRL-UHFFFAOYSA-N -1 3 398.810 3.060 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000823318863 607275103 /nfs/dbraw/zinc/27/51/03/607275103.db2.gz MFAIYMKVJRBWRL-UHFFFAOYSA-N -1 3 398.810 3.060 20 0 GGADHM CCC(CC)c1nnc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000820897667 599252494 /nfs/dbraw/zinc/25/24/94/599252494.db2.gz KYCILPLCOGRPBM-UHFFFAOYSA-N -1 3 390.448 3.083 20 0 GGADHM CCC(CC)c1nnc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000820897667 599252497 /nfs/dbraw/zinc/25/24/97/599252497.db2.gz KYCILPLCOGRPBM-UHFFFAOYSA-N -1 3 390.448 3.083 20 0 GGADHM Cc1c(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822089481 607282386 /nfs/dbraw/zinc/28/23/86/607282386.db2.gz COPBFMZOJHTWRB-MRXNPFEDSA-N -1 3 394.483 3.326 20 0 GGADHM Cc1c(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822089481 607282387 /nfs/dbraw/zinc/28/23/87/607282387.db2.gz COPBFMZOJHTWRB-MRXNPFEDSA-N -1 3 394.483 3.326 20 0 GGADHM Cc1c(NC(=O)NCCCO[C@@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822096060 607287545 /nfs/dbraw/zinc/28/75/45/607287545.db2.gz JMEMBUZHVBTEJI-HNNXBMFYSA-N -1 3 380.452 3.465 20 0 GGADHM Cc1c(NC(=O)NCCCO[C@@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822096060 607287546 /nfs/dbraw/zinc/28/75/46/607287546.db2.gz JMEMBUZHVBTEJI-HNNXBMFYSA-N -1 3 380.452 3.465 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113239 597341566 /nfs/dbraw/zinc/34/15/66/597341566.db2.gz NELHSQJVRQBIQP-QGZVFWFLSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113234 597341775 /nfs/dbraw/zinc/34/17/75/597341775.db2.gz NELHSQJVRQBIQP-KRWDZBQOSA-N -1 3 381.476 3.442 20 0 GGADHM Cc1c(NC(=O)NC[C@H](C)Oc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822095972 607285873 /nfs/dbraw/zinc/28/58/73/607285873.db2.gz ICGVZLNRMRSJMS-NSHDSACASA-N -1 3 386.843 3.418 20 0 GGADHM Cc1c(NC(=O)NC[C@H](C)Oc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822095972 607285874 /nfs/dbraw/zinc/28/58/74/607285874.db2.gz ICGVZLNRMRSJMS-NSHDSACASA-N -1 3 386.843 3.418 20 0 GGADHM Cc1c(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000822084935 607286425 /nfs/dbraw/zinc/28/64/25/607286425.db2.gz SSYUHSVZVSZVOG-UHFFFAOYSA-N -1 3 390.447 3.302 20 0 GGADHM Cc1c(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000822084935 607286426 /nfs/dbraw/zinc/28/64/26/607286426.db2.gz SSYUHSVZVSZVOG-UHFFFAOYSA-N -1 3 390.447 3.302 20 0 GGADHM Cc1c(NC(=O)N[C@H](COCC(C)C)c2ccco2)cccc1-c1nnn[n-]1 ZINC000822091941 607286540 /nfs/dbraw/zinc/28/65/40/607286540.db2.gz VCADBJJCNWKIAD-MRXNPFEDSA-N -1 3 384.440 3.304 20 0 GGADHM Cc1c(NC(=O)N[C@H](COCC(C)C)c2ccco2)cccc1-c1nn[n-]n1 ZINC000822091941 607286541 /nfs/dbraw/zinc/28/65/41/607286541.db2.gz VCADBJJCNWKIAD-MRXNPFEDSA-N -1 3 384.440 3.304 20 0 GGADHM C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736105250 599261672 /nfs/dbraw/zinc/26/16/72/599261672.db2.gz NGFOYSLUMMEFTQ-JTQLQIEISA-N -1 3 392.246 3.430 20 0 GGADHM C[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000736104717 599261686 /nfs/dbraw/zinc/26/16/86/599261686.db2.gz JFVGKBGNLHDGEJ-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM C[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000736104717 599261690 /nfs/dbraw/zinc/26/16/90/599261690.db2.gz JFVGKBGNLHDGEJ-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000821612332 607302285 /nfs/dbraw/zinc/30/22/85/607302285.db2.gz QVJMZGKOMYJSOT-GOSISDBHSA-N -1 3 376.464 3.431 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000821612332 607302286 /nfs/dbraw/zinc/30/22/86/607302286.db2.gz QVJMZGKOMYJSOT-GOSISDBHSA-N -1 3 376.464 3.431 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822096663 607289995 /nfs/dbraw/zinc/28/99/95/607289995.db2.gz PEIRYQGWHQLCPG-LLVKDONJSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822096663 607289996 /nfs/dbraw/zinc/28/99/96/607289996.db2.gz PEIRYQGWHQLCPG-LLVKDONJSA-N -1 3 386.843 3.418 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2NCCCOC1CCCCC1 ZINC000737660164 599262269 /nfs/dbraw/zinc/26/22/69/599262269.db2.gz NXMOLMKBCBYDHZ-UHFFFAOYSA-N -1 3 388.422 3.266 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2NCCCOC1CCCCC1 ZINC000737660164 599262270 /nfs/dbraw/zinc/26/22/70/599262270.db2.gz NXMOLMKBCBYDHZ-UHFFFAOYSA-N -1 3 388.422 3.266 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)cccc1-c1nnn[n-]1 ZINC000822089543 607290762 /nfs/dbraw/zinc/29/07/62/607290762.db2.gz FBGSITVSKWUGNL-GFCCVEGCSA-N -1 3 394.435 3.047 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)cccc1-c1nn[n-]n1 ZINC000822089543 607290763 /nfs/dbraw/zinc/29/07/63/607290763.db2.gz FBGSITVSKWUGNL-GFCCVEGCSA-N -1 3 394.435 3.047 20 0 GGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1cccc(Cl)c1 ZINC000821676669 607291521 /nfs/dbraw/zinc/29/15/21/607291521.db2.gz DKVMLCMBMYPPBH-INIZCTEOSA-N -1 3 386.843 3.338 20 0 GGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1cccc(Cl)c1 ZINC000821676669 607291522 /nfs/dbraw/zinc/29/15/22/607291522.db2.gz DKVMLCMBMYPPBH-INIZCTEOSA-N -1 3 386.843 3.338 20 0 GGADHM COCCCOc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821688274 599258339 /nfs/dbraw/zinc/25/83/39/599258339.db2.gz FDAHAEZSSBLONR-AWEZNQCLSA-N -1 3 396.451 3.165 20 0 GGADHM COCCCOc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821688274 599258340 /nfs/dbraw/zinc/25/83/40/599258340.db2.gz FDAHAEZSSBLONR-AWEZNQCLSA-N -1 3 396.451 3.165 20 0 GGADHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2-n2cccn2)cccc1-c1nnn[n-]1 ZINC000822091511 607293377 /nfs/dbraw/zinc/29/33/77/607293377.db2.gz RSIGTXMWTJXNHT-AWEZNQCLSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2-n2cccn2)cccc1-c1nn[n-]n1 ZINC000822091511 607293378 /nfs/dbraw/zinc/29/33/78/607293378.db2.gz RSIGTXMWTJXNHT-AWEZNQCLSA-N -1 3 388.435 3.244 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736169919 599258782 /nfs/dbraw/zinc/25/87/82/599258782.db2.gz NGMOJAVRBLBAEZ-AWEZNQCLSA-N -1 3 383.496 3.499 20 0 GGADHM Cc1c(NC(=O)C2(c3cccc(F)c3)CCOCC2)cccc1-c1nnn[n-]1 ZINC000822061692 607295858 /nfs/dbraw/zinc/29/58/58/607295858.db2.gz VDBFDGNJOWYNQH-UHFFFAOYSA-N -1 3 381.411 3.001 20 0 GGADHM Cc1c(NC(=O)C2(c3cccc(F)c3)CCOCC2)cccc1-c1nn[n-]n1 ZINC000822061692 607295859 /nfs/dbraw/zinc/29/58/59/607295859.db2.gz VDBFDGNJOWYNQH-UHFFFAOYSA-N -1 3 381.411 3.001 20 0 GGADHM Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cccc1-c1nnn[n-]1 ZINC000822109676 607296100 /nfs/dbraw/zinc/29/61/00/607296100.db2.gz TZQNZIAPGRKTGT-UHFFFAOYSA-N -1 3 388.387 3.273 20 0 GGADHM Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cccc1-c1nn[n-]n1 ZINC000822109676 607296101 /nfs/dbraw/zinc/29/61/01/607296101.db2.gz TZQNZIAPGRKTGT-UHFFFAOYSA-N -1 3 388.387 3.273 20 0 GGADHM Cc1c(NC(=O)c2ccccc2COC2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822115321 607297037 /nfs/dbraw/zinc/29/70/37/607297037.db2.gz BHCQALJTQUJNSX-UHFFFAOYSA-N -1 3 393.447 3.123 20 0 GGADHM Cc1c(NC(=O)c2ccccc2COC2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822115321 607297038 /nfs/dbraw/zinc/29/70/38/607297038.db2.gz BHCQALJTQUJNSX-UHFFFAOYSA-N -1 3 393.447 3.123 20 0 GGADHM CSc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000821983344 607298243 /nfs/dbraw/zinc/29/82/43/607298243.db2.gz GVZRKERPWXYIFF-UHFFFAOYSA-N -1 3 396.476 3.336 20 0 GGADHM CSc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000821983344 607298244 /nfs/dbraw/zinc/29/82/44/607298244.db2.gz GVZRKERPWXYIFF-UHFFFAOYSA-N -1 3 396.476 3.336 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821230821 607299110 /nfs/dbraw/zinc/29/91/10/607299110.db2.gz SACGZCCWMDOIJM-UHFFFAOYSA-N -1 3 377.235 3.231 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821230821 607299111 /nfs/dbraw/zinc/29/91/11/607299111.db2.gz SACGZCCWMDOIJM-UHFFFAOYSA-N -1 3 377.235 3.231 20 0 GGADHM Cc1cccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822329137 599260927 /nfs/dbraw/zinc/26/09/27/599260927.db2.gz ZDKINDXRWHGSKS-HUUCEWRRSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1cccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822329137 599260928 /nfs/dbraw/zinc/26/09/28/599260928.db2.gz ZDKINDXRWHGSKS-HUUCEWRRSA-N -1 3 380.452 3.003 20 0 GGADHM CC[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820919493 607301335 /nfs/dbraw/zinc/30/13/35/607301335.db2.gz DIBBJBUHGLLBRK-ZDUSSCGKSA-N -1 3 378.770 3.074 20 0 GGADHM CC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820919493 607301336 /nfs/dbraw/zinc/30/13/36/607301336.db2.gz DIBBJBUHGLLBRK-ZDUSSCGKSA-N -1 3 378.770 3.074 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000820151907 599263736 /nfs/dbraw/zinc/26/37/36/599263736.db2.gz QHXFXUNUCWANBW-IRXDYDNUSA-N -1 3 392.463 3.407 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000820151907 599263738 /nfs/dbraw/zinc/26/37/38/599263738.db2.gz QHXFXUNUCWANBW-IRXDYDNUSA-N -1 3 392.463 3.407 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1cc(C)cc(F)c1 ZINC000821701597 607308178 /nfs/dbraw/zinc/30/81/78/607308178.db2.gz VHSJOSWHEBSMPM-UHFFFAOYSA-N -1 3 385.399 3.121 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1cc(C)cc(F)c1 ZINC000821701597 607308179 /nfs/dbraw/zinc/30/81/79/607308179.db2.gz VHSJOSWHEBSMPM-UHFFFAOYSA-N -1 3 385.399 3.121 20 0 GGADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(OCc2cccnc2)c1 ZINC000823816781 607309700 /nfs/dbraw/zinc/30/97/00/607309700.db2.gz XYKKCBVANCSALO-UHFFFAOYSA-N -1 3 398.430 3.101 20 0 GGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cccc(OCc2cccnc2)c1 ZINC000823816781 607309701 /nfs/dbraw/zinc/30/97/01/607309701.db2.gz XYKKCBVANCSALO-UHFFFAOYSA-N -1 3 398.430 3.101 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820938319 607311092 /nfs/dbraw/zinc/31/10/92/607311092.db2.gz ILRGJABDFKRWOP-SFHVURJKSA-N -1 3 383.427 3.132 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820938319 607311093 /nfs/dbraw/zinc/31/10/93/607311093.db2.gz ILRGJABDFKRWOP-SFHVURJKSA-N -1 3 383.427 3.132 20 0 GGADHM CN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821574693 607312507 /nfs/dbraw/zinc/31/25/07/607312507.db2.gz SJHJFAHOWVPZFD-UHFFFAOYSA-N -1 3 398.426 3.140 20 0 GGADHM CN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821574693 607312508 /nfs/dbraw/zinc/31/25/08/607312508.db2.gz SJHJFAHOWVPZFD-UHFFFAOYSA-N -1 3 398.426 3.140 20 0 GGADHM CC[C@H](C)Sc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(C)c1 ZINC000820881961 607314812 /nfs/dbraw/zinc/31/48/12/607314812.db2.gz GIGDJQXIQUYHHP-UONOGXRCSA-N -1 3 398.540 3.416 20 0 GGADHM CC[C@H](C)Sc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(C)c1 ZINC000820881961 607314813 /nfs/dbraw/zinc/31/48/13/607314813.db2.gz GIGDJQXIQUYHHP-UONOGXRCSA-N -1 3 398.540 3.416 20 0 GGADHM CC[C@H](C)Oc1cccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820875895 599266729 /nfs/dbraw/zinc/26/67/29/599266729.db2.gz IBGZHBWWSQGAHX-AWEZNQCLSA-N -1 3 396.451 3.245 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821407786 599267494 /nfs/dbraw/zinc/26/74/94/599267494.db2.gz XGIJJZUNJQYONL-JKSUJKDBSA-N -1 3 378.436 3.018 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000821407786 599267495 /nfs/dbraw/zinc/26/74/95/599267495.db2.gz XGIJJZUNJQYONL-JKSUJKDBSA-N -1 3 378.436 3.018 20 0 GGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000737640430 599267841 /nfs/dbraw/zinc/26/78/41/599267841.db2.gz WQLCFPFBWKUNAH-HNNXBMFYSA-N -1 3 385.374 3.258 20 0 GGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000737640430 599267843 /nfs/dbraw/zinc/26/78/43/599267843.db2.gz WQLCFPFBWKUNAH-HNNXBMFYSA-N -1 3 385.374 3.258 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](c2ccccc2)C1 ZINC000737658811 599268100 /nfs/dbraw/zinc/26/81/00/599268100.db2.gz ILXLWECQMJGRGY-MRXNPFEDSA-N -1 3 394.385 3.271 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](c2ccccc2)C1 ZINC000737658811 599268102 /nfs/dbraw/zinc/26/81/02/599268102.db2.gz ILXLWECQMJGRGY-MRXNPFEDSA-N -1 3 394.385 3.271 20 0 GGADHM FC(F)(F)c1cc(NCc2cccc(-n3cncn3)c2)ccc1-c1nnn[n-]1 ZINC000737633809 599270088 /nfs/dbraw/zinc/27/00/88/599270088.db2.gz WJPXMSBAKMQJPB-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM FC(F)(F)c1cc(NCc2cccc(-n3cncn3)c2)ccc1-c1nn[n-]n1 ZINC000737633809 599270092 /nfs/dbraw/zinc/27/00/92/599270092.db2.gz WJPXMSBAKMQJPB-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000822217847 599270162 /nfs/dbraw/zinc/27/01/62/599270162.db2.gz PNFXKJLDMURTST-FZKQIMNGSA-N -1 3 396.426 3.308 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000822217847 599270164 /nfs/dbraw/zinc/27/01/64/599270164.db2.gz PNFXKJLDMURTST-FZKQIMNGSA-N -1 3 396.426 3.308 20 0 GGADHM COC(=O)C(C)(C)c1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000821638741 599271580 /nfs/dbraw/zinc/27/15/80/599271580.db2.gz HFTRPTSNIJLQLT-UHFFFAOYSA-N -1 3 394.435 3.270 20 0 GGADHM COC(=O)C(C)(C)c1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000821638741 599271582 /nfs/dbraw/zinc/27/15/82/599271582.db2.gz HFTRPTSNIJLQLT-UHFFFAOYSA-N -1 3 394.435 3.270 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000821762260 599271970 /nfs/dbraw/zinc/27/19/70/599271970.db2.gz JDZZHBRDRAWTRH-AWEZNQCLSA-N -1 3 380.452 3.245 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000821762260 599271971 /nfs/dbraw/zinc/27/19/71/599271971.db2.gz JDZZHBRDRAWTRH-AWEZNQCLSA-N -1 3 380.452 3.245 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000736487923 599275470 /nfs/dbraw/zinc/27/54/70/599275470.db2.gz JYAASBLANXTSLB-UHFFFAOYSA-N -1 3 396.451 3.267 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821777301 599275532 /nfs/dbraw/zinc/27/55/32/599275532.db2.gz DAVZXBLSJZKYSO-CYBMUJFWSA-N -1 3 396.451 3.199 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821777301 599275535 /nfs/dbraw/zinc/27/55/35/599275535.db2.gz DAVZXBLSJZKYSO-CYBMUJFWSA-N -1 3 396.451 3.199 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCS1 ZINC000820044904 599275992 /nfs/dbraw/zinc/27/59/92/599275992.db2.gz ISCLCBXIXXPWSZ-ZDUSSCGKSA-N -1 3 398.439 3.073 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCS1 ZINC000820044904 599275995 /nfs/dbraw/zinc/27/59/95/599275995.db2.gz ISCLCBXIXXPWSZ-ZDUSSCGKSA-N -1 3 398.439 3.073 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccccc1OCC ZINC000736488916 599277288 /nfs/dbraw/zinc/27/72/88/599277288.db2.gz UHOFRHIXGJDUFQ-UHFFFAOYSA-N -1 3 396.451 3.105 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000736637519 599277622 /nfs/dbraw/zinc/27/76/22/599277622.db2.gz RAGFAGLGQZOJQU-CQSZACIVSA-N -1 3 382.449 3.234 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000736637519 599277624 /nfs/dbraw/zinc/27/76/24/599277624.db2.gz RAGFAGLGQZOJQU-CQSZACIVSA-N -1 3 382.449 3.234 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2c(c1)OCO2 ZINC000736489135 599278284 /nfs/dbraw/zinc/27/82/84/599278284.db2.gz WPGFFZHQFNEXQG-XBXARRHUSA-N -1 3 392.419 3.069 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1csc(Cc2ccccc2F)n1 ZINC000738233137 599279208 /nfs/dbraw/zinc/27/92/08/599279208.db2.gz QLAWCISVMPOKAL-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1csc(Cc2ccccc2F)n1 ZINC000738233137 599279210 /nfs/dbraw/zinc/27/92/10/599279210.db2.gz QLAWCISVMPOKAL-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736611332 599279957 /nfs/dbraw/zinc/27/99/57/599279957.db2.gz JGESWNNLXDDJAL-ZWKOTPCHSA-N -1 3 383.496 3.043 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736611332 599279958 /nfs/dbraw/zinc/27/99/58/599279958.db2.gz JGESWNNLXDDJAL-ZWKOTPCHSA-N -1 3 383.496 3.043 20 0 GGADHM CC[C@@H]1COCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821000479 599280954 /nfs/dbraw/zinc/28/09/54/599280954.db2.gz FPXIKZYFDBSWNO-MRXNPFEDSA-N -1 3 394.435 3.302 20 0 GGADHM CC[C@@H]1COCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821000479 599280956 /nfs/dbraw/zinc/28/09/56/599280956.db2.gz FPXIKZYFDBSWNO-MRXNPFEDSA-N -1 3 394.435 3.302 20 0 GGADHM Cc1ccc2cccc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)c2n1 ZINC000822280317 599282051 /nfs/dbraw/zinc/28/20/51/599282051.db2.gz KDPGTVVRPWPGLG-UHFFFAOYSA-N -1 3 377.383 3.184 20 0 GGADHM Cc1ccc2cccc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)c2n1 ZINC000822280317 599282053 /nfs/dbraw/zinc/28/20/53/599282053.db2.gz KDPGTVVRPWPGLG-UHFFFAOYSA-N -1 3 377.383 3.184 20 0 GGADHM COC[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000821684003 599282190 /nfs/dbraw/zinc/28/21/90/599282190.db2.gz PXESLDLUXIZLFZ-SFHVURJKSA-N -1 3 396.451 3.452 20 0 GGADHM COC[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000821684003 599282193 /nfs/dbraw/zinc/28/21/93/599282193.db2.gz PXESLDLUXIZLFZ-SFHVURJKSA-N -1 3 396.451 3.452 20 0 GGADHM CC(C)(CCO)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819980896 599280476 /nfs/dbraw/zinc/28/04/76/599280476.db2.gz IKETWRKWGJKMAB-UHFFFAOYSA-N -1 3 396.451 3.189 20 0 GGADHM CC(C)(CCO)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819980896 599280479 /nfs/dbraw/zinc/28/04/79/599280479.db2.gz IKETWRKWGJKMAB-UHFFFAOYSA-N -1 3 396.451 3.189 20 0 GGADHM CCOCCCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736616645 599286024 /nfs/dbraw/zinc/28/60/24/599286024.db2.gz UIBNDWXTJZMQSK-UHFFFAOYSA-N -1 3 382.420 3.029 20 0 GGADHM CCOCCCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736616645 599286025 /nfs/dbraw/zinc/28/60/25/599286025.db2.gz UIBNDWXTJZMQSK-UHFFFAOYSA-N -1 3 382.420 3.029 20 0 GGADHM O=C(NCC1CCSCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823182148 599287482 /nfs/dbraw/zinc/28/74/82/599287482.db2.gz IMLSYJRPSAIDKL-UHFFFAOYSA-N -1 3 386.403 3.150 20 0 GGADHM O=C(NCC1CCSCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823182148 599287484 /nfs/dbraw/zinc/28/74/84/599287484.db2.gz IMLSYJRPSAIDKL-UHFFFAOYSA-N -1 3 386.403 3.150 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)C2)n1 ZINC000737455793 599287613 /nfs/dbraw/zinc/28/76/13/599287613.db2.gz XHEHUEGTSBDGNJ-CQSZACIVSA-N -1 3 383.481 3.352 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)C2)n1 ZINC000737455793 599287616 /nfs/dbraw/zinc/28/76/16/599287616.db2.gz XHEHUEGTSBDGNJ-CQSZACIVSA-N -1 3 383.481 3.352 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1CC(F)(F)F ZINC000823250435 599287722 /nfs/dbraw/zinc/28/77/22/599287722.db2.gz XWSWTQSRRAVPIY-UHFFFAOYSA-N -1 3 394.332 3.432 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1CC(F)(F)F ZINC000823250435 599287724 /nfs/dbraw/zinc/28/77/24/599287724.db2.gz XWSWTQSRRAVPIY-UHFFFAOYSA-N -1 3 394.332 3.432 20 0 GGADHM Cc1cccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737382204 599288178 /nfs/dbraw/zinc/28/81/78/599288178.db2.gz SMKNMTNXYHGHFL-ZDUSSCGKSA-N -1 3 378.465 3.313 20 0 GGADHM Cc1cccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737382204 599288181 /nfs/dbraw/zinc/28/81/81/599288181.db2.gz SMKNMTNXYHGHFL-ZDUSSCGKSA-N -1 3 378.465 3.313 20 0 GGADHM CC(=O)N(c1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1)C1CC1 ZINC000735461890 599288560 /nfs/dbraw/zinc/28/85/60/599288560.db2.gz SVTSMPLTPLLIFO-SECBINFHSA-N -1 3 387.494 3.087 20 0 GGADHM CC(=O)N(c1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1)C1CC1 ZINC000735461890 599288562 /nfs/dbraw/zinc/28/85/62/599288562.db2.gz SVTSMPLTPLLIFO-SECBINFHSA-N -1 3 387.494 3.087 20 0 GGADHM Cc1c(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cccc1-c1nnn[n-]1 ZINC000822076760 607321954 /nfs/dbraw/zinc/32/19/54/607321954.db2.gz RPJWIZFIKOGWEC-LBPRGKRZSA-N -1 3 393.476 3.484 20 0 GGADHM Cc1c(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cccc1-c1nn[n-]n1 ZINC000822076760 607321955 /nfs/dbraw/zinc/32/19/55/607321955.db2.gz RPJWIZFIKOGWEC-LBPRGKRZSA-N -1 3 393.476 3.484 20 0 GGADHM Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000822077840 607322016 /nfs/dbraw/zinc/32/20/16/607322016.db2.gz ZFMZNKSQEQWMDK-UHFFFAOYSA-N -1 3 393.476 3.220 20 0 GGADHM Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000822077840 607322017 /nfs/dbraw/zinc/32/20/17/607322017.db2.gz ZFMZNKSQEQWMDK-UHFFFAOYSA-N -1 3 393.476 3.220 20 0 GGADHM c1csc([C@H]2CCCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n1 ZINC000738451021 599291061 /nfs/dbraw/zinc/29/10/61/599291061.db2.gz AMFLHQQJYXHUJR-CQSZACIVSA-N -1 3 394.464 3.100 20 0 GGADHM c1csc([C@H]2CCCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000738451021 599291063 /nfs/dbraw/zinc/29/10/63/599291063.db2.gz AMFLHQQJYXHUJR-CQSZACIVSA-N -1 3 394.464 3.100 20 0 GGADHM CCCCOCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000736461652 599292430 /nfs/dbraw/zinc/29/24/30/599292430.db2.gz YAOYJWIVFPOKNA-UHFFFAOYSA-N -1 3 397.454 3.351 20 0 GGADHM CCCCOCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000736461652 599292431 /nfs/dbraw/zinc/29/24/31/599292431.db2.gz YAOYJWIVFPOKNA-UHFFFAOYSA-N -1 3 397.454 3.351 20 0 GGADHM CC(C)N(C(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000735851053 599291387 /nfs/dbraw/zinc/29/13/87/599291387.db2.gz KNXUHFBVKIPHCW-UHFFFAOYSA-N -1 3 389.818 3.480 20 0 GGADHM CC(C)N(C(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000735851053 599291389 /nfs/dbraw/zinc/29/13/89/599291389.db2.gz KNXUHFBVKIPHCW-UHFFFAOYSA-N -1 3 389.818 3.480 20 0 GGADHM Cc1c[nH]c(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000822395128 607324291 /nfs/dbraw/zinc/32/42/91/607324291.db2.gz RSRJZSXFVWAKOV-UHFFFAOYSA-N -1 3 377.433 3.302 20 0 GGADHM Cc1c[nH]c(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000822395128 607324292 /nfs/dbraw/zinc/32/42/92/607324292.db2.gz RSRJZSXFVWAKOV-UHFFFAOYSA-N -1 3 377.433 3.302 20 0 GGADHM Cc1cc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)ccc1C(=O)[O-] ZINC000821037749 598058173 /nfs/dbraw/zinc/05/81/73/598058173.db2.gz SYQTUCZJVWEVBQ-UHFFFAOYSA-N -1 3 382.460 3.150 20 0 GGADHM CCCCN(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821065181 599292173 /nfs/dbraw/zinc/29/21/73/599292173.db2.gz GKEZAEZFPKJFCX-UHFFFAOYSA-N -1 3 386.378 3.166 20 0 GGADHM CCCCN(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821065181 599292175 /nfs/dbraw/zinc/29/21/75/599292175.db2.gz GKEZAEZFPKJFCX-UHFFFAOYSA-N -1 3 386.378 3.166 20 0 GGADHM CCC(CC)n1ccc(CSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820898131 607325756 /nfs/dbraw/zinc/32/57/56/607325756.db2.gz UQTOKJZDNZKQBL-UHFFFAOYSA-N -1 3 385.497 3.296 20 0 GGADHM CCC(CC)n1ccc(CSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820898131 607325757 /nfs/dbraw/zinc/32/57/57/607325757.db2.gz UQTOKJZDNZKQBL-UHFFFAOYSA-N -1 3 385.497 3.296 20 0 GGADHM COC(=O)[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821641028 607327126 /nfs/dbraw/zinc/32/71/26/607327126.db2.gz UQDURQDOVCMCNH-AWEZNQCLSA-N -1 3 391.353 3.254 20 0 GGADHM COC(=O)[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821641028 607327127 /nfs/dbraw/zinc/32/71/27/607327127.db2.gz UQDURQDOVCMCNH-AWEZNQCLSA-N -1 3 391.353 3.254 20 0 GGADHM O=C([O-])c1cccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)c1 ZINC000821552807 598204485 /nfs/dbraw/zinc/20/44/85/598204485.db2.gz SSTLBYFXLNZGNP-UHFFFAOYSA-N -1 3 387.237 3.222 20 0 GGADHM CC(C)[C@@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820026057 607345690 /nfs/dbraw/zinc/34/56/90/607345690.db2.gz GPOTVNPLVZBJRP-SJORKVTESA-N -1 3 384.871 3.033 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738171077 598232765 /nfs/dbraw/zinc/23/27/65/598232765.db2.gz ADHVARLNFIDGHW-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738171077 598232767 /nfs/dbraw/zinc/23/27/67/598232767.db2.gz ADHVARLNFIDGHW-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CCC[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736430577 598234065 /nfs/dbraw/zinc/23/40/65/598234065.db2.gz YQEQXJCWSAPHEB-KRWDZBQOSA-N -1 3 382.493 3.153 20 0 GGADHM CCC[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736430577 598234066 /nfs/dbraw/zinc/23/40/66/598234066.db2.gz YQEQXJCWSAPHEB-KRWDZBQOSA-N -1 3 382.493 3.153 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000737960881 598234533 /nfs/dbraw/zinc/23/45/33/598234533.db2.gz JAVVQZBJYKPFEQ-UHFFFAOYSA-N -1 3 390.378 3.374 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000737960881 598234534 /nfs/dbraw/zinc/23/45/34/598234534.db2.gz JAVVQZBJYKPFEQ-UHFFFAOYSA-N -1 3 390.378 3.374 20 0 GGADHM O=C(c1cccc(Cl)c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738272815 598235621 /nfs/dbraw/zinc/23/56/21/598235621.db2.gz FRLYFSWWZLSYEJ-UHFFFAOYSA-N -1 3 383.839 3.204 20 0 GGADHM O=C(c1cccc(Cl)c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738272815 598235623 /nfs/dbraw/zinc/23/56/23/598235623.db2.gz FRLYFSWWZLSYEJ-UHFFFAOYSA-N -1 3 383.839 3.204 20 0 GGADHM O=C(C=Cc1cccc(F)c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737799306 598236722 /nfs/dbraw/zinc/23/67/22/598236722.db2.gz NOLWBJFLQHFGRK-FPLPWBNLSA-N -1 3 393.422 3.089 20 0 GGADHM O=C(C=Cc1cccc(F)c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737799306 598236723 /nfs/dbraw/zinc/23/67/23/598236723.db2.gz NOLWBJFLQHFGRK-FPLPWBNLSA-N -1 3 393.422 3.089 20 0 GGADHM O=C(C=Cc1ccccc1F)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737803183 598236728 /nfs/dbraw/zinc/23/67/28/598236728.db2.gz RUFMUPJHVQZYEK-HJWRWDBZSA-N -1 3 393.422 3.089 20 0 GGADHM O=C(C=Cc1ccccc1F)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737803183 598236730 /nfs/dbraw/zinc/23/67/30/598236730.db2.gz RUFMUPJHVQZYEK-HJWRWDBZSA-N -1 3 393.422 3.089 20 0 GGADHM O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738270042 598237272 /nfs/dbraw/zinc/23/72/72/598237272.db2.gz OFVHUPRGVKRARI-UHFFFAOYSA-N -1 3 388.431 3.032 20 0 GGADHM O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738270042 598237274 /nfs/dbraw/zinc/23/72/74/598237274.db2.gz OFVHUPRGVKRARI-UHFFFAOYSA-N -1 3 388.431 3.032 20 0 GGADHM Cc1cccnc1CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737432880 598241189 /nfs/dbraw/zinc/24/11/89/598241189.db2.gz DKOJBQWQBPDRCG-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cccnc1CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737432880 598241190 /nfs/dbraw/zinc/24/11/90/598241190.db2.gz DKOJBQWQBPDRCG-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM CC(C)n1ccn(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1=S ZINC000735966273 598243352 /nfs/dbraw/zinc/24/33/52/598243352.db2.gz QVBIRECKPXVCKP-UHFFFAOYSA-N -1 3 399.524 3.281 20 0 GGADHM CC(C)n1ccn(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1=S ZINC000735966273 598243354 /nfs/dbraw/zinc/24/33/54/598243354.db2.gz QVBIRECKPXVCKP-UHFFFAOYSA-N -1 3 399.524 3.281 20 0 GGADHM CCCN(Cc1cc(-c2nn[n-]n2)ccc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736478861 598251276 /nfs/dbraw/zinc/25/12/76/598251276.db2.gz FITLUAMCHLIQGE-AWEZNQCLSA-N -1 3 382.443 3.245 20 0 GGADHM CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736329304 598254275 /nfs/dbraw/zinc/25/42/75/598254275.db2.gz JRIMYYJRYURGQS-MNOVXSKESA-N -1 3 383.905 3.108 20 0 GGADHM CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736329304 598254276 /nfs/dbraw/zinc/25/42/76/598254276.db2.gz JRIMYYJRYURGQS-MNOVXSKESA-N -1 3 383.905 3.108 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736200026 598255870 /nfs/dbraw/zinc/25/58/70/598255870.db2.gz QVHDDDIQKIJFRG-LBPRGKRZSA-N -1 3 388.397 3.167 20 0 GGADHM C[C@@H](c1ccc(F)cc1F)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197669 598255917 /nfs/dbraw/zinc/25/59/17/598255917.db2.gz CAZNBPOBNIGVGF-LBPRGKRZSA-N -1 3 388.397 3.167 20 0 GGADHM Cc1ccccc1OCCCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737431126 598256026 /nfs/dbraw/zinc/25/60/26/598256026.db2.gz DRFLHRAFVOMQMB-HNNXBMFYSA-N -1 3 380.452 3.004 20 0 GGADHM Cc1ccccc1OCCCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737431126 598256027 /nfs/dbraw/zinc/25/60/27/598256027.db2.gz DRFLHRAFVOMQMB-HNNXBMFYSA-N -1 3 380.452 3.004 20 0 GGADHM Cc1ccc(F)cc1NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737348183 598264562 /nfs/dbraw/zinc/26/45/62/598264562.db2.gz VFVXAAHVQIPFSL-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cc1ccc(F)cc1NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737348183 598264563 /nfs/dbraw/zinc/26/45/63/598264563.db2.gz VFVXAAHVQIPFSL-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM CCCN(CCc1ccccn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736479925 598265407 /nfs/dbraw/zinc/26/54/07/598265407.db2.gz MMEBAZQLUVLXGZ-UHFFFAOYSA-N -1 3 395.467 3.147 20 0 GGADHM CCCN(CCc1ccccn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736479925 598265408 /nfs/dbraw/zinc/26/54/08/598265408.db2.gz MMEBAZQLUVLXGZ-UHFFFAOYSA-N -1 3 395.467 3.147 20 0 GGADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H](C)O1 ZINC000736282673 598266952 /nfs/dbraw/zinc/26/69/52/598266952.db2.gz ZNHXLXSLLGSRAA-KBPBESRZSA-N -1 3 394.435 3.300 20 0 GGADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)O1 ZINC000736282673 598266954 /nfs/dbraw/zinc/26/69/54/598266954.db2.gz ZNHXLXSLLGSRAA-KBPBESRZSA-N -1 3 394.435 3.300 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736251525 598268468 /nfs/dbraw/zinc/26/84/68/598268468.db2.gz OVCDIZZRAIWFSB-CVEARBPZSA-N -1 3 398.511 3.246 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736251525 598268470 /nfs/dbraw/zinc/26/84/70/598268470.db2.gz OVCDIZZRAIWFSB-CVEARBPZSA-N -1 3 398.511 3.246 20 0 GGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736176370 598270239 /nfs/dbraw/zinc/27/02/39/598270239.db2.gz RXJMERZCEMTARR-QMMMGPOBSA-N -1 3 379.754 3.204 20 0 GGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736176370 598270242 /nfs/dbraw/zinc/27/02/42/598270242.db2.gz RXJMERZCEMTARR-QMMMGPOBSA-N -1 3 379.754 3.204 20 0 GGADHM CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000736655262 598271128 /nfs/dbraw/zinc/27/11/28/598271128.db2.gz SPKSNEJXKWVAAY-CYBMUJFWSA-N -1 3 398.492 3.397 20 0 GGADHM CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000736655262 598271129 /nfs/dbraw/zinc/27/11/29/598271129.db2.gz SPKSNEJXKWVAAY-CYBMUJFWSA-N -1 3 398.492 3.397 20 0 GGADHM COc1ccccc1OCCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737156797 598273518 /nfs/dbraw/zinc/27/35/18/598273518.db2.gz ZYKAVJZMZCUFEG-UHFFFAOYSA-N -1 3 386.477 3.456 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1c(Cl)cccc1Cl ZINC000737222432 598274065 /nfs/dbraw/zinc/27/40/65/598274065.db2.gz ZFPHIOWMAYARHP-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1c(Cl)cccc1Cl ZINC000737222432 598274067 /nfs/dbraw/zinc/27/40/67/598274067.db2.gz ZFPHIOWMAYARHP-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(-n2ccnc2)nc1 ZINC000737627907 598276065 /nfs/dbraw/zinc/27/60/65/598276065.db2.gz RKQGYVGMSZAPCV-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCc2c1cccc2F ZINC000735661850 598279128 /nfs/dbraw/zinc/27/91/28/598279128.db2.gz XGHJRPCWEMTQFH-HNNXBMFYSA-N -1 3 383.431 3.371 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCc2c1cccc2F ZINC000735661850 598279130 /nfs/dbraw/zinc/27/91/30/598279130.db2.gz XGHJRPCWEMTQFH-HNNXBMFYSA-N -1 3 383.431 3.371 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(F)c(F)c1 ZINC000735662764 598279233 /nfs/dbraw/zinc/27/92/33/598279233.db2.gz WTFUUJWZLCSLNE-UHFFFAOYSA-N -1 3 375.383 3.023 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(F)c(F)c1 ZINC000735662764 598279234 /nfs/dbraw/zinc/27/92/34/598279234.db2.gz WTFUUJWZLCSLNE-UHFFFAOYSA-N -1 3 375.383 3.023 20 0 GGADHM CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736750149 598280217 /nfs/dbraw/zinc/28/02/17/598280217.db2.gz UCBONQMADSNXEP-UHFFFAOYSA-N -1 3 383.431 3.111 20 0 GGADHM CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736750149 598280218 /nfs/dbraw/zinc/28/02/18/598280218.db2.gz UCBONQMADSNXEP-UHFFFAOYSA-N -1 3 383.431 3.111 20 0 GGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737410466 598281001 /nfs/dbraw/zinc/28/10/01/598281001.db2.gz SMYBKECZVXHWRM-HNNXBMFYSA-N -1 3 395.467 3.377 20 0 GGADHM Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737410466 598281002 /nfs/dbraw/zinc/28/10/02/598281002.db2.gz SMYBKECZVXHWRM-HNNXBMFYSA-N -1 3 395.467 3.377 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000738178979 598281719 /nfs/dbraw/zinc/28/17/19/598281719.db2.gz OZBCHROELCMADS-UHFFFAOYSA-N -1 3 398.854 3.348 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000738178979 598281720 /nfs/dbraw/zinc/28/17/20/598281720.db2.gz OZBCHROELCMADS-UHFFFAOYSA-N -1 3 398.854 3.348 20 0 GGADHM CN(CCc1cccc2ccccc21)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736804821 598282505 /nfs/dbraw/zinc/28/25/05/598282505.db2.gz XKUMUTANWOLQMS-UHFFFAOYSA-N -1 3 386.459 3.404 20 0 GGADHM CN(CCc1cccc2ccccc21)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736804821 598282507 /nfs/dbraw/zinc/28/25/07/598282507.db2.gz XKUMUTANWOLQMS-UHFFFAOYSA-N -1 3 386.459 3.404 20 0 GGADHM CC(C)COC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000735839124 598283382 /nfs/dbraw/zinc/28/33/82/598283382.db2.gz ZZMVRFBRQUVYQP-WMLDXEAASA-N -1 3 398.467 3.234 20 0 GGADHM CC(C)COC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000735839124 598283383 /nfs/dbraw/zinc/28/33/83/598283383.db2.gz ZZMVRFBRQUVYQP-WMLDXEAASA-N -1 3 398.467 3.234 20 0 GGADHM Cc1ccccc1[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422223 598284276 /nfs/dbraw/zinc/28/42/76/598284276.db2.gz MFCBVSBSYFBAFL-YJBOKZPZSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1ccccc1[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422223 598284278 /nfs/dbraw/zinc/28/42/78/598284278.db2.gz MFCBVSBSYFBAFL-YJBOKZPZSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1c2c(nc(S[C@H](C)C(=O)Nc3cccc(F)c3)c1-c1nnn[n-]1)CCC2 ZINC000737217313 598284869 /nfs/dbraw/zinc/28/48/69/598284869.db2.gz BHQCZYFNVSQCTP-LLVKDONJSA-N -1 3 398.467 3.317 20 0 GGADHM Cc1c2c(nc(S[C@H](C)C(=O)Nc3cccc(F)c3)c1-c1nn[n-]n1)CCC2 ZINC000737217313 598284871 /nfs/dbraw/zinc/28/48/71/598284871.db2.gz BHQCZYFNVSQCTP-LLVKDONJSA-N -1 3 398.467 3.317 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736654477 598284946 /nfs/dbraw/zinc/28/49/46/598284946.db2.gz UZPWEYFUUPIKDZ-QGZVFWFLSA-N -1 3 380.452 3.216 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736654477 598284948 /nfs/dbraw/zinc/28/49/48/598284948.db2.gz UZPWEYFUUPIKDZ-QGZVFWFLSA-N -1 3 380.452 3.216 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736330818 598288995 /nfs/dbraw/zinc/28/89/95/598288995.db2.gz ZISMHGQPKBHXLH-ZDUSSCGKSA-N -1 3 391.435 3.248 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736330818 598288997 /nfs/dbraw/zinc/28/89/97/598288997.db2.gz ZISMHGQPKBHXLH-ZDUSSCGKSA-N -1 3 391.435 3.248 20 0 GGADHM O=C(Cc1ccccc1Br)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737969697 598289898 /nfs/dbraw/zinc/28/98/98/598289898.db2.gz RGVXKUSAECBKPU-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1ccccc1Br)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737969697 598289899 /nfs/dbraw/zinc/28/98/99/598289899.db2.gz RGVXKUSAECBKPU-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737966904 598290178 /nfs/dbraw/zinc/29/01/78/598290178.db2.gz LEMHYSRMRZNDDJ-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737966904 598290180 /nfs/dbraw/zinc/29/01/80/598290180.db2.gz LEMHYSRMRZNDDJ-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737464542 598296388 /nfs/dbraw/zinc/29/63/88/598296388.db2.gz NMZGGMYQMJSXQQ-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737464542 598296389 /nfs/dbraw/zinc/29/63/89/598296389.db2.gz NMZGGMYQMJSXQQ-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM CSc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737189744 598297012 /nfs/dbraw/zinc/29/70/12/598297012.db2.gz BNKWIJCALFKYMN-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM CSc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737189744 598297014 /nfs/dbraw/zinc/29/70/14/598297014.db2.gz BNKWIJCALFKYMN-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000737803095 598297909 /nfs/dbraw/zinc/29/79/09/598297909.db2.gz RJMZAYNNHWWDJF-XFXZXTDPSA-N -1 3 398.430 3.181 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000737803095 598297911 /nfs/dbraw/zinc/29/79/11/598297911.db2.gz RJMZAYNNHWWDJF-XFXZXTDPSA-N -1 3 398.430 3.181 20 0 GGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735736579 598298272 /nfs/dbraw/zinc/29/82/72/598298272.db2.gz UEJRAOMTCABKFA-KRWDZBQOSA-N -1 3 385.468 3.439 20 0 GGADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735736579 598298274 /nfs/dbraw/zinc/29/82/74/598298274.db2.gz UEJRAOMTCABKFA-KRWDZBQOSA-N -1 3 385.468 3.439 20 0 GGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737852528 598300959 /nfs/dbraw/zinc/30/09/59/598300959.db2.gz MWELIFOMPGQNJG-UHFFFAOYSA-N -1 3 390.422 3.250 20 0 GGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737852528 598300960 /nfs/dbraw/zinc/30/09/60/598300960.db2.gz MWELIFOMPGQNJG-UHFFFAOYSA-N -1 3 390.422 3.250 20 0 GGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736193962 598302693 /nfs/dbraw/zinc/30/26/93/598302693.db2.gz VQJRGAJFURBRSD-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736193962 598302694 /nfs/dbraw/zinc/30/26/94/598302694.db2.gz VQJRGAJFURBRSD-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1csc(-c2ccccc2)n1 ZINC000738100836 598303733 /nfs/dbraw/zinc/30/37/33/598303733.db2.gz AAHYLBWOMHFJPJ-UHFFFAOYSA-N -1 3 380.408 3.059 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1csc(-c2ccccc2)n1 ZINC000738100836 598303735 /nfs/dbraw/zinc/30/37/35/598303735.db2.gz AAHYLBWOMHFJPJ-UHFFFAOYSA-N -1 3 380.408 3.059 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000736189162 598306567 /nfs/dbraw/zinc/30/65/67/598306567.db2.gz RMWWUALIHIKZGS-KBPBESRZSA-N -1 3 389.415 3.487 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000736189162 598306568 /nfs/dbraw/zinc/30/65/68/598306568.db2.gz RMWWUALIHIKZGS-KBPBESRZSA-N -1 3 389.415 3.487 20 0 GGADHM O=C(O[C@H]1CCc2cc(Br)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738221472 598307667 /nfs/dbraw/zinc/30/76/67/598307667.db2.gz WVAMSQZEXLXAJY-HNNXBMFYSA-N -1 3 385.221 3.474 20 0 GGADHM O=C(O[C@H]1CCc2cc(Br)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738221472 598307668 /nfs/dbraw/zinc/30/76/68/598307668.db2.gz WVAMSQZEXLXAJY-HNNXBMFYSA-N -1 3 385.221 3.474 20 0 GGADHM Cc1ccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)c(C)c1 ZINC000737316440 598308310 /nfs/dbraw/zinc/30/83/10/598308310.db2.gz WCJHEYDBJAXUHO-UHFFFAOYSA-N -1 3 389.415 3.268 20 0 GGADHM Cc1ccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)c(C)c1 ZINC000737316440 598308311 /nfs/dbraw/zinc/30/83/11/598308311.db2.gz WCJHEYDBJAXUHO-UHFFFAOYSA-N -1 3 389.415 3.268 20 0 GGADHM O=C(C=Cc1ccccc1)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737801764 598308847 /nfs/dbraw/zinc/30/88/47/598308847.db2.gz UIDLCMGUCBNDPO-KHPPLWFESA-N -1 3 387.399 3.050 20 0 GGADHM O=C(C=Cc1ccccc1)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737801764 598308848 /nfs/dbraw/zinc/30/88/48/598308848.db2.gz UIDLCMGUCBNDPO-KHPPLWFESA-N -1 3 387.399 3.050 20 0 GGADHM Cc1ccc(C)n1-c1sccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737333124 598309247 /nfs/dbraw/zinc/30/92/47/598309247.db2.gz ZXIRLNXTIOUMCQ-UHFFFAOYSA-N -1 3 396.451 3.405 20 0 GGADHM Cc1ccc(C)n1-c1sccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737333124 598309249 /nfs/dbraw/zinc/30/92/49/598309249.db2.gz ZXIRLNXTIOUMCQ-UHFFFAOYSA-N -1 3 396.451 3.405 20 0 GGADHM CN(C(=O)COc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736736791 598310113 /nfs/dbraw/zinc/31/01/13/598310113.db2.gz JCKWCCIOHCQBTO-UHFFFAOYSA-N -1 3 377.379 3.201 20 0 GGADHM CN(C(=O)COc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736736791 598310114 /nfs/dbraw/zinc/31/01/14/598310114.db2.gz JCKWCCIOHCQBTO-UHFFFAOYSA-N -1 3 377.379 3.201 20 0 GGADHM CN(C(=O)CSc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736738646 598311382 /nfs/dbraw/zinc/31/13/82/598311382.db2.gz FIBYYVFUIQNOSE-UHFFFAOYSA-N -1 3 377.832 3.414 20 0 GGADHM CN(C(=O)CSc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736738646 598311383 /nfs/dbraw/zinc/31/13/83/598311383.db2.gz FIBYYVFUIQNOSE-UHFFFAOYSA-N -1 3 377.832 3.414 20 0 GGADHM COCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737017192 598312044 /nfs/dbraw/zinc/31/20/44/598312044.db2.gz SKRULTFGSJFCJX-UHFFFAOYSA-N -1 3 381.367 3.175 20 0 GGADHM COCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737017192 598312046 /nfs/dbraw/zinc/31/20/46/598312046.db2.gz SKRULTFGSJFCJX-UHFFFAOYSA-N -1 3 381.367 3.175 20 0 GGADHM CC(C)N(C(=O)CSCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735851510 598313385 /nfs/dbraw/zinc/31/33/85/598313385.db2.gz YAQYIMSRPZMQJR-UHFFFAOYSA-N -1 3 397.504 3.420 20 0 GGADHM CC(C)N(C(=O)CSCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735851510 598313387 /nfs/dbraw/zinc/31/33/87/598313387.db2.gz YAQYIMSRPZMQJR-UHFFFAOYSA-N -1 3 397.504 3.420 20 0 GGADHM CCOc1cc2c(cc1CNCc1ccc(-c3nnn[n-]3)cc1F)O[C@H](C)C2 ZINC000736635338 598315987 /nfs/dbraw/zinc/31/59/87/598315987.db2.gz MNJFCYGQBGWSON-GFCCVEGCSA-N -1 3 383.427 3.018 20 0 GGADHM CCOc1cc2c(cc1CNCc1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000736635338 598315989 /nfs/dbraw/zinc/31/59/89/598315989.db2.gz MNJFCYGQBGWSON-GFCCVEGCSA-N -1 3 383.427 3.018 20 0 GGADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000737504412 598316228 /nfs/dbraw/zinc/31/62/28/598316228.db2.gz XKOKVNXZEYLNMW-UHFFFAOYSA-N -1 3 397.845 3.443 20 0 GGADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000737504412 598316229 /nfs/dbraw/zinc/31/62/29/598316229.db2.gz XKOKVNXZEYLNMW-UHFFFAOYSA-N -1 3 397.845 3.443 20 0 GGADHM COc1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1 ZINC000737053273 598317289 /nfs/dbraw/zinc/31/72/89/598317289.db2.gz IFKVHAIXYGCSQW-UHFFFAOYSA-N -1 3 390.856 3.346 20 0 GGADHM COc1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1 ZINC000737053273 598317291 /nfs/dbraw/zinc/31/72/91/598317291.db2.gz IFKVHAIXYGCSQW-UHFFFAOYSA-N -1 3 390.856 3.346 20 0 GGADHM COc1ccc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737090513 598317402 /nfs/dbraw/zinc/31/74/02/598317402.db2.gz QUNQEPFMTZGGGC-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM COc1ccc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737090513 598317404 /nfs/dbraw/zinc/31/74/04/598317404.db2.gz QUNQEPFMTZGGGC-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM COC(=O)c1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000736947604 598318936 /nfs/dbraw/zinc/31/89/36/598318936.db2.gz AKKBXJKOXGHZQP-UHFFFAOYSA-N -1 3 394.869 3.177 20 0 GGADHM COC(=O)c1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000736947604 598318937 /nfs/dbraw/zinc/31/89/37/598318937.db2.gz AKKBXJKOXGHZQP-UHFFFAOYSA-N -1 3 394.869 3.177 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(Cc1ccncc1)C1CC1 ZINC000738402184 598319642 /nfs/dbraw/zinc/31/96/42/598319642.db2.gz ZIDXRHGSKAROPG-UHFFFAOYSA-N -1 3 385.884 3.277 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(Cc1ccncc1)C1CC1 ZINC000738402184 598319644 /nfs/dbraw/zinc/31/96/44/598319644.db2.gz ZIDXRHGSKAROPG-UHFFFAOYSA-N -1 3 385.884 3.277 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H]1CCc2cc(Cl)ccc21 ZINC000738100764 598319682 /nfs/dbraw/zinc/31/96/82/598319682.db2.gz SZQCIBROJXDPIS-INIZCTEOSA-N -1 3 386.818 3.146 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H]1CCc2cc(Cl)ccc21 ZINC000738100764 598319684 /nfs/dbraw/zinc/31/96/84/598319684.db2.gz SZQCIBROJXDPIS-INIZCTEOSA-N -1 3 386.818 3.146 20 0 GGADHM CN(Cc1nc2ccccc2[nH]1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736832064 598320959 /nfs/dbraw/zinc/32/09/59/598320959.db2.gz ZOTYTZLSVOLQNL-UHFFFAOYSA-N -1 3 398.883 3.225 20 0 GGADHM CN(Cc1nc2ccccc2[nH]1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736832064 598320962 /nfs/dbraw/zinc/32/09/62/598320962.db2.gz ZOTYTZLSVOLQNL-UHFFFAOYSA-N -1 3 398.883 3.225 20 0 GGADHM Fc1cccc(F)c1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737661690 598320966 /nfs/dbraw/zinc/32/09/66/598320966.db2.gz OVYMWBMHAWDRKN-UHFFFAOYSA-N -1 3 394.838 3.327 20 0 GGADHM Fc1cccc(F)c1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737661690 598320968 /nfs/dbraw/zinc/32/09/68/598320968.db2.gz OVYMWBMHAWDRKN-UHFFFAOYSA-N -1 3 394.838 3.327 20 0 GGADHM COc1ccc([C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C(C)C)cc1 ZINC000737077282 598325740 /nfs/dbraw/zinc/32/57/40/598325740.db2.gz VQOMTMWAEJPJFA-GOSISDBHSA-N -1 3 398.442 3.211 20 0 GGADHM COc1ccc([C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C(C)C)cc1 ZINC000737077282 598325742 /nfs/dbraw/zinc/32/57/42/598325742.db2.gz VQOMTMWAEJPJFA-GOSISDBHSA-N -1 3 398.442 3.211 20 0 GGADHM Cc1ccc([C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000737320788 598325854 /nfs/dbraw/zinc/32/58/54/598325854.db2.gz UXOZQVNFYNUQJP-SFHVURJKSA-N -1 3 380.427 3.265 20 0 GGADHM Cc1ccc([C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000737320788 598325856 /nfs/dbraw/zinc/32/58/56/598325856.db2.gz UXOZQVNFYNUQJP-SFHVURJKSA-N -1 3 380.427 3.265 20 0 GGADHM O=C(NCc1cccc(F)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738118046 598326311 /nfs/dbraw/zinc/32/63/11/598326311.db2.gz VZZHHUYEIHIRQE-UHFFFAOYSA-N -1 3 393.378 3.108 20 0 GGADHM O=C(NCc1cccc(F)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738118046 598326312 /nfs/dbraw/zinc/32/63/12/598326312.db2.gz VZZHHUYEIHIRQE-UHFFFAOYSA-N -1 3 393.378 3.108 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737148173 598327211 /nfs/dbraw/zinc/32/72/11/598327211.db2.gz OEGMDPZEVAVVNA-QGZVFWFLSA-N -1 3 396.426 3.061 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737148173 598327213 /nfs/dbraw/zinc/32/72/13/598327213.db2.gz OEGMDPZEVAVVNA-QGZVFWFLSA-N -1 3 396.426 3.061 20 0 GGADHM O=C(NCc1ccsc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738123472 598328025 /nfs/dbraw/zinc/32/80/25/598328025.db2.gz FFRHZRGZMXYPRJ-UHFFFAOYSA-N -1 3 381.417 3.030 20 0 GGADHM O=C(NCc1ccsc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738123472 598328027 /nfs/dbraw/zinc/32/80/27/598328027.db2.gz FFRHZRGZMXYPRJ-UHFFFAOYSA-N -1 3 381.417 3.030 20 0 GGADHM CCOCc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000736627426 598328592 /nfs/dbraw/zinc/32/85/92/598328592.db2.gz VEBMEXJKLHEDOG-LJQANCHMSA-N -1 3 395.463 3.445 20 0 GGADHM CCOCc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000736627426 598328593 /nfs/dbraw/zinc/32/85/93/598328593.db2.gz VEBMEXJKLHEDOG-LJQANCHMSA-N -1 3 395.463 3.445 20 0 GGADHM O=C(c1ccc(C(F)F)cc1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738257043 598330736 /nfs/dbraw/zinc/33/07/36/598330736.db2.gz DAAVUHYVGXYKKY-UHFFFAOYSA-N -1 3 398.417 3.157 20 0 GGADHM O=C(c1ccc(C(F)F)cc1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738257043 598330738 /nfs/dbraw/zinc/33/07/38/598330738.db2.gz DAAVUHYVGXYKKY-UHFFFAOYSA-N -1 3 398.417 3.157 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417508 607354216 /nfs/dbraw/zinc/35/42/16/607354216.db2.gz NIWOPOIZIPCYBS-LJQANCHMSA-N -1 3 393.447 3.008 20 0 GGADHM C[C@@H](OC(=O)c1ccccc1C(C)(C)C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820513438 607353615 /nfs/dbraw/zinc/35/36/15/607353615.db2.gz ZUUCFCHGYHTPRX-CYBMUJFWSA-N -1 3 393.447 3.348 20 0 GGADHM C[C@@H](OC(=O)c1ccccc1C(C)(C)C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820513438 607353616 /nfs/dbraw/zinc/35/36/16/607353616.db2.gz ZUUCFCHGYHTPRX-CYBMUJFWSA-N -1 3 393.447 3.348 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000738178740 598358843 /nfs/dbraw/zinc/35/88/43/598358843.db2.gz KJIGETIAMYCRQO-CABCVRRESA-N -1 3 399.252 3.307 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000738178740 598358845 /nfs/dbraw/zinc/35/88/45/598358845.db2.gz KJIGETIAMYCRQO-CABCVRRESA-N -1 3 399.252 3.307 20 0 GGADHM O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737977689 598359320 /nfs/dbraw/zinc/35/93/20/598359320.db2.gz GOOMNGISYNGBLK-UHFFFAOYSA-N -1 3 386.824 3.418 20 0 GGADHM O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737977689 598359321 /nfs/dbraw/zinc/35/93/21/598359321.db2.gz GOOMNGISYNGBLK-UHFFFAOYSA-N -1 3 386.824 3.418 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc(O)cc2)n1 ZINC000738232217 598359875 /nfs/dbraw/zinc/35/98/75/598359875.db2.gz IYQXICOCDDWNKH-UHFFFAOYSA-N -1 3 379.401 3.053 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccc(O)cc2)n1 ZINC000738232217 598359877 /nfs/dbraw/zinc/35/98/77/598359877.db2.gz IYQXICOCDDWNKH-UHFFFAOYSA-N -1 3 379.401 3.053 20 0 GGADHM COc1ccc(C(C)(C)CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000737074911 598363329 /nfs/dbraw/zinc/36/33/29/598363329.db2.gz ZLHXEJUMJXDLPM-UHFFFAOYSA-N -1 3 388.859 3.322 20 0 GGADHM COc1ccc(C(C)(C)CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000737074911 598363331 /nfs/dbraw/zinc/36/33/31/598363331.db2.gz ZLHXEJUMJXDLPM-UHFFFAOYSA-N -1 3 388.859 3.322 20 0 GGADHM O=C(OCCOC1CCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738225131 598363983 /nfs/dbraw/zinc/36/39/83/598363983.db2.gz XRHIXQLBRZCBPT-UHFFFAOYSA-N -1 3 398.419 3.155 20 0 GGADHM O=C(OCCOC1CCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738225131 598363985 /nfs/dbraw/zinc/36/39/85/598363985.db2.gz XRHIXQLBRZCBPT-UHFFFAOYSA-N -1 3 398.419 3.155 20 0 GGADHM O=C(N[C@@H]1CCCOC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738023134 598364136 /nfs/dbraw/zinc/36/41/36/598364136.db2.gz GOTIYOUAYWFMMT-MRXNPFEDSA-N -1 3 395.488 3.068 20 0 GGADHM O=C(N[C@@H]1CCCOC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738023134 598364138 /nfs/dbraw/zinc/36/41/38/598364138.db2.gz GOTIYOUAYWFMMT-MRXNPFEDSA-N -1 3 395.488 3.068 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2csc(C(C)(C)C)n2)s1 ZINC000736679209 598365431 /nfs/dbraw/zinc/36/54/31/598365431.db2.gz OEFPOMJICHYUMV-UHFFFAOYSA-N -1 3 376.511 3.426 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2csc(C(C)(C)C)n2)s1 ZINC000736679209 598365433 /nfs/dbraw/zinc/36/54/33/598365433.db2.gz OEFPOMJICHYUMV-UHFFFAOYSA-N -1 3 376.511 3.426 20 0 GGADHM O=C1OC(c2cc3c(s2)CCCC3)=NC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738317326 598365912 /nfs/dbraw/zinc/36/59/12/598365912.db2.gz CGZXGARPEPCGOO-NTEUORMPSA-N -1 3 377.429 3.152 20 0 GGADHM O=C1OC(c2cc3c(s2)CCCC3)=NC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738317326 598365913 /nfs/dbraw/zinc/36/59/13/598365913.db2.gz CGZXGARPEPCGOO-NTEUORMPSA-N -1 3 377.429 3.152 20 0 GGADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736131773 598369269 /nfs/dbraw/zinc/36/92/69/598369269.db2.gz RUBQUYDFMSEXBC-LLVKDONJSA-N -1 3 385.474 3.121 20 0 GGADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736131773 598369272 /nfs/dbraw/zinc/36/92/72/598369272.db2.gz RUBQUYDFMSEXBC-LLVKDONJSA-N -1 3 385.474 3.121 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736129214 598369596 /nfs/dbraw/zinc/36/95/96/598369596.db2.gz DKIVYBHOEOYLHP-LLVKDONJSA-N -1 3 385.474 3.121 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736129214 598369598 /nfs/dbraw/zinc/36/95/98/598369598.db2.gz DKIVYBHOEOYLHP-LLVKDONJSA-N -1 3 385.474 3.121 20 0 GGADHM C[C@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736150049 598371195 /nfs/dbraw/zinc/37/11/95/598371195.db2.gz HWBLHOLAYASPBL-YLSINNKHSA-N -1 3 395.444 3.043 20 0 GGADHM C[C@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736150049 598371196 /nfs/dbraw/zinc/37/11/96/598371196.db2.gz HWBLHOLAYASPBL-YLSINNKHSA-N -1 3 395.444 3.043 20 0 GGADHM C[C@H](OC(=O)/C=C\Sc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736150042 598371416 /nfs/dbraw/zinc/37/14/16/598371416.db2.gz HWBLHOLAYASPBL-HHQWOOOKSA-N -1 3 395.444 3.043 20 0 GGADHM C[C@H](OC(=O)/C=C\Sc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736150042 598371418 /nfs/dbraw/zinc/37/14/18/598371418.db2.gz HWBLHOLAYASPBL-HHQWOOOKSA-N -1 3 395.444 3.043 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000736478784 598372100 /nfs/dbraw/zinc/37/21/00/598372100.db2.gz CKZPSZGMDNQGGC-UHFFFAOYSA-N -1 3 394.483 3.398 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000736478784 598372102 /nfs/dbraw/zinc/37/21/02/598372102.db2.gz CKZPSZGMDNQGGC-UHFFFAOYSA-N -1 3 394.483 3.398 20 0 GGADHM Cc1ccc(OC[C@@H](O)CSc2nc(C)cc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000737364868 598373103 /nfs/dbraw/zinc/37/31/03/598373103.db2.gz GKRDNZWULUMKJG-OAHLLOKOSA-N -1 3 385.493 3.027 20 0 GGADHM Cc1ccc(OC[C@@H](O)CSc2nc(C)cc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000737364868 598373105 /nfs/dbraw/zinc/37/31/05/598373105.db2.gz GKRDNZWULUMKJG-OAHLLOKOSA-N -1 3 385.493 3.027 20 0 GGADHM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736162072 598379051 /nfs/dbraw/zinc/37/90/51/598379051.db2.gz AEDCPKGQTLPMEY-RYUDHWBXSA-N -1 3 385.390 3.069 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000737025476 598380111 /nfs/dbraw/zinc/38/01/11/598380111.db2.gz QYTWROZVBLJWCQ-LJQANCHMSA-N -1 3 394.431 3.481 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000737025476 598380113 /nfs/dbraw/zinc/38/01/13/598380113.db2.gz QYTWROZVBLJWCQ-LJQANCHMSA-N -1 3 394.431 3.481 20 0 GGADHM CSc1nc2ccc(NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000737188542 598381967 /nfs/dbraw/zinc/38/19/67/598381967.db2.gz BHROMOLKEPONFQ-UHFFFAOYSA-N -1 3 397.489 3.249 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737924110 598382145 /nfs/dbraw/zinc/38/21/45/598382145.db2.gz ADWUDFNWXWCFEY-UHFFFAOYSA-N -1 3 396.426 3.014 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737924110 598382147 /nfs/dbraw/zinc/38/21/47/598382147.db2.gz ADWUDFNWXWCFEY-UHFFFAOYSA-N -1 3 396.426 3.014 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc2c1ccn2C ZINC000735905556 598382789 /nfs/dbraw/zinc/38/27/89/598382789.db2.gz KREIKCOCOVUJGQ-UHFFFAOYSA-N -1 3 376.420 3.398 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2c1ccn2C ZINC000735905556 598382790 /nfs/dbraw/zinc/38/27/90/598382790.db2.gz KREIKCOCOVUJGQ-UHFFFAOYSA-N -1 3 376.420 3.398 20 0 GGADHM CCCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc2C1 ZINC000736470058 598382906 /nfs/dbraw/zinc/38/29/06/598382906.db2.gz QMLOGEOSARXTPW-FQEVSTJZSA-N -1 3 390.491 3.075 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccco1)Cc1cccs1 ZINC000737895202 598383407 /nfs/dbraw/zinc/38/34/07/598383407.db2.gz NMSBCGYQDOAMLT-UHFFFAOYSA-N -1 3 394.460 3.162 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000737563709 598388094 /nfs/dbraw/zinc/38/80/94/598388094.db2.gz PJXTXBCPSLLNGZ-UHFFFAOYSA-N -1 3 380.843 3.175 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000737563709 598388095 /nfs/dbraw/zinc/38/80/95/598388095.db2.gz PJXTXBCPSLLNGZ-UHFFFAOYSA-N -1 3 380.843 3.175 20 0 GGADHM Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737443494 598391535 /nfs/dbraw/zinc/39/15/35/598391535.db2.gz XBEYWPLQLAEZRL-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737443494 598391538 /nfs/dbraw/zinc/39/15/38/598391538.db2.gz XBEYWPLQLAEZRL-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM COC(=O)C1CCC(n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736911821 598392762 /nfs/dbraw/zinc/39/27/62/598392762.db2.gz WPMBMPQULNXEPP-UHFFFAOYSA-N -1 3 398.492 3.175 20 0 GGADHM COC(=O)C1CCC(n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736911821 598392763 /nfs/dbraw/zinc/39/27/63/598392763.db2.gz WPMBMPQULNXEPP-UHFFFAOYSA-N -1 3 398.492 3.175 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000737221930 598395398 /nfs/dbraw/zinc/39/53/98/598395398.db2.gz SLHJPYXHALVUQN-LJQANCHMSA-N -1 3 383.427 3.207 20 0 GGADHM Cc1nc(CCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)oc1-c1ccccc1 ZINC000737472269 598396026 /nfs/dbraw/zinc/39/60/26/598396026.db2.gz SGYYYTNJXRZOCW-UHFFFAOYSA-N -1 3 388.431 3.426 20 0 GGADHM Cc1nc(CCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)oc1-c1ccccc1 ZINC000737472269 598396027 /nfs/dbraw/zinc/39/60/27/598396027.db2.gz SGYYYTNJXRZOCW-UHFFFAOYSA-N -1 3 388.431 3.426 20 0 GGADHM CO[C@](C)(C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1ccccc1 ZINC000736957921 598396153 /nfs/dbraw/zinc/39/61/53/598396153.db2.gz XWQGXADROAOUOH-QFIPXVFZSA-N -1 3 393.491 3.413 20 0 GGADHM CO[C@](C)(C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1ccccc1 ZINC000736957921 598396154 /nfs/dbraw/zinc/39/61/54/598396154.db2.gz XWQGXADROAOUOH-QFIPXVFZSA-N -1 3 393.491 3.413 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737199994 598397577 /nfs/dbraw/zinc/39/75/77/598397577.db2.gz QWHQPHMUADKVQG-UHFFFAOYSA-N -1 3 389.463 3.041 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737199994 598397578 /nfs/dbraw/zinc/39/75/78/598397578.db2.gz QWHQPHMUADKVQG-UHFFFAOYSA-N -1 3 389.463 3.041 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735837580 598410976 /nfs/dbraw/zinc/41/09/76/598410976.db2.gz JUXDODHYHVKXFD-UHFFFAOYSA-N -1 3 396.447 3.066 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735837580 598410979 /nfs/dbraw/zinc/41/09/79/598410979.db2.gz JUXDODHYHVKXFD-UHFFFAOYSA-N -1 3 396.447 3.066 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735844852 598411256 /nfs/dbraw/zinc/41/12/56/598411256.db2.gz OPAJRFRPHSYIMO-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735844852 598411258 /nfs/dbraw/zinc/41/12/58/598411258.db2.gz OPAJRFRPHSYIMO-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cccc(OCC(F)(F)F)c1 ZINC000737803118 598414730 /nfs/dbraw/zinc/41/47/30/598414730.db2.gz ROWGDKDJAAYEBZ-HJWRWDBZSA-N -1 3 390.321 3.427 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cccc(OCC(F)(F)F)c1 ZINC000737803118 598414732 /nfs/dbraw/zinc/41/47/32/598414732.db2.gz ROWGDKDJAAYEBZ-HJWRWDBZSA-N -1 3 390.321 3.427 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736188371 598417803 /nfs/dbraw/zinc/41/78/03/598417803.db2.gz MYLPEGPVZNCZAF-NSHDSACASA-N -1 3 391.353 3.316 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736188371 598417804 /nfs/dbraw/zinc/41/78/04/598417804.db2.gz MYLPEGPVZNCZAF-NSHDSACASA-N -1 3 391.353 3.316 20 0 GGADHM O=C(CCc1nc2cc(Cl)ccc2s1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000518413947 598420161 /nfs/dbraw/zinc/42/01/61/598420161.db2.gz RPSPLYCBGNZXNO-UHFFFAOYSA-N -1 3 398.879 3.379 20 0 GGADHM O=C(CCc1nc2cc(Cl)ccc2s1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000518413947 598420163 /nfs/dbraw/zinc/42/01/63/598420163.db2.gz RPSPLYCBGNZXNO-UHFFFAOYSA-N -1 3 398.879 3.379 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000735873220 598425511 /nfs/dbraw/zinc/42/55/11/598425511.db2.gz CQJNUTCQXLWICG-UHFFFAOYSA-N -1 3 379.468 3.375 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000735873220 598425513 /nfs/dbraw/zinc/42/55/13/598425513.db2.gz CQJNUTCQXLWICG-UHFFFAOYSA-N -1 3 379.468 3.375 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736103399 598425688 /nfs/dbraw/zinc/42/56/88/598425688.db2.gz CGZXWARHOQSJQV-LBPRGKRZSA-N -1 3 378.461 3.371 20 0 GGADHM COC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000736947474 598426088 /nfs/dbraw/zinc/42/60/88/598426088.db2.gz LUWQUTIRZWXRKQ-UHFFFAOYSA-N -1 3 394.435 3.096 20 0 GGADHM COC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000736947474 598426090 /nfs/dbraw/zinc/42/60/90/598426090.db2.gz LUWQUTIRZWXRKQ-UHFFFAOYSA-N -1 3 394.435 3.096 20 0 GGADHM Cc1cc(C)cc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000442945933 598428277 /nfs/dbraw/zinc/42/82/77/598428277.db2.gz BCYNXLAVTSCQHI-LBPRGKRZSA-N -1 3 391.884 3.176 20 0 GGADHM Cc1cc(C)cc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000442945933 598428278 /nfs/dbraw/zinc/42/82/78/598428278.db2.gz BCYNXLAVTSCQHI-LBPRGKRZSA-N -1 3 391.884 3.176 20 0 GGADHM COCc1ccccc1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737021794 598428567 /nfs/dbraw/zinc/42/85/67/598428567.db2.gz BXQQUMASVBOWLB-UHFFFAOYSA-N -1 3 394.479 3.133 20 0 GGADHM COCc1ccccc1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737021794 598428569 /nfs/dbraw/zinc/42/85/69/598428569.db2.gz BXQQUMASVBOWLB-UHFFFAOYSA-N -1 3 394.479 3.133 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736131306 598428852 /nfs/dbraw/zinc/42/88/52/598428852.db2.gz PYWMWWBLLTZWPY-NSHDSACASA-N -1 3 385.474 3.121 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736131306 598428854 /nfs/dbraw/zinc/42/88/54/598428854.db2.gz PYWMWWBLLTZWPY-NSHDSACASA-N -1 3 385.474 3.121 20 0 GGADHM C[C@H](N[C@@H](c1ccco1)c1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736130520 598430756 /nfs/dbraw/zinc/43/07/56/598430756.db2.gz HJTWCMVKXCQJNJ-IFXJQAMLSA-N -1 3 388.431 3.166 20 0 GGADHM C[C@H](N[C@@H](c1ccco1)c1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736130520 598430757 /nfs/dbraw/zinc/43/07/57/598430757.db2.gz HJTWCMVKXCQJNJ-IFXJQAMLSA-N -1 3 388.431 3.166 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1N(C)C ZINC000736481651 598430973 /nfs/dbraw/zinc/43/09/73/598430973.db2.gz RZOSSOJWJRSSRH-UHFFFAOYSA-N -1 3 379.468 3.377 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1N(C)C ZINC000736481651 598430974 /nfs/dbraw/zinc/43/09/74/598430974.db2.gz RZOSSOJWJRSSRH-UHFFFAOYSA-N -1 3 379.468 3.377 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737003585 598431360 /nfs/dbraw/zinc/43/13/60/598431360.db2.gz ZBVMHLRSWYLMCF-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737003585 598431361 /nfs/dbraw/zinc/43/13/61/598431361.db2.gz ZBVMHLRSWYLMCF-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000822217308 607354959 /nfs/dbraw/zinc/35/49/59/607354959.db2.gz AROIBDJHRHYLCH-SCLBCKFNSA-N -1 3 378.436 3.031 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000822217308 607354961 /nfs/dbraw/zinc/35/49/61/607354961.db2.gz AROIBDJHRHYLCH-SCLBCKFNSA-N -1 3 378.436 3.031 20 0 GGADHM CCc1ccc(-n2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c3c2CCC3)cc1 ZINC000593812337 598435370 /nfs/dbraw/zinc/43/53/70/598435370.db2.gz JBSVVBXJMSXKEG-UHFFFAOYSA-N -1 3 399.458 3.356 20 0 GGADHM CCc1ccc(-n2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c3c2CCC3)cc1 ZINC000593812337 598435372 /nfs/dbraw/zinc/43/53/72/598435372.db2.gz JBSVVBXJMSXKEG-UHFFFAOYSA-N -1 3 399.458 3.356 20 0 GGADHM O=C(CSC[C@@H]1CCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737932795 598441872 /nfs/dbraw/zinc/44/18/72/598441872.db2.gz QAVZPUFBTWGAQI-NSHDSACASA-N -1 3 393.538 3.048 20 0 GGADHM O=C(CSC[C@@H]1CCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737932795 598441874 /nfs/dbraw/zinc/44/18/74/598441874.db2.gz QAVZPUFBTWGAQI-NSHDSACASA-N -1 3 393.538 3.048 20 0 GGADHM CC(C)CN(C(=O)CSC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817625 598442152 /nfs/dbraw/zinc/44/21/52/598442152.db2.gz DDWYCKAMKFQYQV-KRWDZBQOSA-N -1 3 389.525 3.158 20 0 GGADHM CC(C)CN(C(=O)CSC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817625 598442153 /nfs/dbraw/zinc/44/21/53/598442153.db2.gz DDWYCKAMKFQYQV-KRWDZBQOSA-N -1 3 389.525 3.158 20 0 GGADHM O=C(Nc1cccc(Cl)c1Oc1cccnc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738182550 598447611 /nfs/dbraw/zinc/44/76/11/598447611.db2.gz FZXZJUZWMWHSCM-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1cccc(Cl)c1Oc1cccnc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738182550 598447612 /nfs/dbraw/zinc/44/76/12/598447612.db2.gz FZXZJUZWMWHSCM-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCc1ccccc1 ZINC000736171470 598450241 /nfs/dbraw/zinc/45/02/41/598450241.db2.gz WKTYIFWXUTWYID-HNNXBMFYSA-N -1 3 379.464 3.162 20 0 GGADHM CC(C)(C)c1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)CCC2)cc1 ZINC000735651899 598450817 /nfs/dbraw/zinc/45/08/17/598450817.db2.gz YFCXSLDYOMCLSG-UHFFFAOYSA-N -1 3 390.491 3.411 20 0 GGADHM CC(C)(C)c1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)CCC2)cc1 ZINC000735651899 598450819 /nfs/dbraw/zinc/45/08/19/598450819.db2.gz YFCXSLDYOMCLSG-UHFFFAOYSA-N -1 3 390.491 3.411 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2=COCCC2)cc1 ZINC000737033330 598451457 /nfs/dbraw/zinc/45/14/57/598451457.db2.gz XLCHLGVMPUHCMF-UHFFFAOYSA-N -1 3 393.403 3.300 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C2=COCCC2)cc1 ZINC000737033330 598451459 /nfs/dbraw/zinc/45/14/59/598451459.db2.gz XLCHLGVMPUHCMF-UHFFFAOYSA-N -1 3 393.403 3.300 20 0 GGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738183826 598452211 /nfs/dbraw/zinc/45/22/11/598452211.db2.gz OJNZQLMHRKVSKX-UHFFFAOYSA-N -1 3 382.783 3.482 20 0 GGADHM O=C(Nc1cccc(Cl)c1SC(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738183826 598452212 /nfs/dbraw/zinc/45/22/12/598452212.db2.gz OJNZQLMHRKVSKX-UHFFFAOYSA-N -1 3 382.783 3.482 20 0 GGADHM CC(C)COc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735837461 598453539 /nfs/dbraw/zinc/45/35/39/598453539.db2.gz HYRMLZPJDLKCPE-UHFFFAOYSA-N -1 3 394.479 3.004 20 0 GGADHM CC(C)COc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735837461 598453540 /nfs/dbraw/zinc/45/35/40/598453540.db2.gz HYRMLZPJDLKCPE-UHFFFAOYSA-N -1 3 394.479 3.004 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737918331 598456841 /nfs/dbraw/zinc/45/68/41/598456841.db2.gz BEQBJGHPWMEQSS-KRWDZBQOSA-N -1 3 377.448 3.042 20 0 GGADHM Clc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)cc1Cl ZINC000737571135 598458054 /nfs/dbraw/zinc/45/80/54/598458054.db2.gz SVVWEZKHCRAIHH-CQSZACIVSA-N -1 3 377.235 3.146 20 0 GGADHM Clc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)cc1Cl ZINC000737571135 598458055 /nfs/dbraw/zinc/45/80/55/598458055.db2.gz SVVWEZKHCRAIHH-CQSZACIVSA-N -1 3 377.235 3.146 20 0 GGADHM Fc1ccc([C@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)CCO2)cc1Cl ZINC000737649527 598461334 /nfs/dbraw/zinc/46/13/34/598461334.db2.gz MYMPCJYHNAGQKZ-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM Fc1ccc([C@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)CCO2)cc1Cl ZINC000737649527 598461336 /nfs/dbraw/zinc/46/13/36/598461336.db2.gz MYMPCJYHNAGQKZ-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000738260805 598462855 /nfs/dbraw/zinc/46/28/55/598462855.db2.gz FYZOBDJZUSURRE-UHFFFAOYSA-N -1 3 388.406 3.243 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000738260805 598462857 /nfs/dbraw/zinc/46/28/57/598462857.db2.gz FYZOBDJZUSURRE-UHFFFAOYSA-N -1 3 388.406 3.243 20 0 GGADHM O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738269975 598465066 /nfs/dbraw/zinc/46/50/66/598465066.db2.gz NKYHHMJIOGRTBW-UHFFFAOYSA-N -1 3 388.431 3.032 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000738152402 598472322 /nfs/dbraw/zinc/47/23/22/598472322.db2.gz XSCYQBPCTPUZKL-OAHLLOKOSA-N -1 3 398.398 3.208 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000738152402 598472323 /nfs/dbraw/zinc/47/23/23/598472323.db2.gz XSCYQBPCTPUZKL-OAHLLOKOSA-N -1 3 398.398 3.208 20 0 GGADHM Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737559927 598473163 /nfs/dbraw/zinc/47/31/63/598473163.db2.gz DVJANKCTPNXOJD-UHFFFAOYSA-N -1 3 399.476 3.497 20 0 GGADHM Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737559927 598473165 /nfs/dbraw/zinc/47/31/65/598473165.db2.gz DVJANKCTPNXOJD-UHFFFAOYSA-N -1 3 399.476 3.497 20 0 GGADHM COc1ccc2cc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000737119761 598476806 /nfs/dbraw/zinc/47/68/06/598476806.db2.gz FHKXOUGKSQHUAL-UHFFFAOYSA-N -1 3 389.419 3.087 20 0 GGADHM COc1ccc2cc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000737119761 598476807 /nfs/dbraw/zinc/47/68/07/598476807.db2.gz FHKXOUGKSQHUAL-UHFFFAOYSA-N -1 3 389.419 3.087 20 0 GGADHM Cc1cc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000737265453 598478452 /nfs/dbraw/zinc/47/84/52/598478452.db2.gz VNTCOIDATSJKNF-UHFFFAOYSA-N -1 3 380.427 3.188 20 0 GGADHM Cc1cc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000737265453 598478454 /nfs/dbraw/zinc/47/84/54/598478454.db2.gz VNTCOIDATSJKNF-UHFFFAOYSA-N -1 3 380.427 3.188 20 0 GGADHM C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736153415 598484218 /nfs/dbraw/zinc/48/42/18/598484218.db2.gz YQXKROWXVPUVTD-LLVKDONJSA-N -1 3 386.358 3.412 20 0 GGADHM C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736153415 598484220 /nfs/dbraw/zinc/48/42/20/598484220.db2.gz YQXKROWXVPUVTD-LLVKDONJSA-N -1 3 386.358 3.412 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736161093 598484577 /nfs/dbraw/zinc/48/45/77/598484577.db2.gz BVMMIBHCYZFZCD-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736161093 598484578 /nfs/dbraw/zinc/48/45/78/598484578.db2.gz BVMMIBHCYZFZCD-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)nc1Cl ZINC000735661440 598486173 /nfs/dbraw/zinc/48/61/73/598486173.db2.gz KZMWSPBKFSAWTF-UHFFFAOYSA-N -1 3 380.239 3.377 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)nc1Cl ZINC000735661440 598486175 /nfs/dbraw/zinc/48/61/75/598486175.db2.gz KZMWSPBKFSAWTF-UHFFFAOYSA-N -1 3 380.239 3.377 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162994 598486323 /nfs/dbraw/zinc/48/63/23/598486323.db2.gz KTHJFITWMCBFCR-VBHSOAQHSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162994 598486324 /nfs/dbraw/zinc/48/63/24/598486324.db2.gz KTHJFITWMCBFCR-VBHSOAQHSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156752 598487447 /nfs/dbraw/zinc/48/74/47/598487447.db2.gz FBUWOYIAOGTRQY-LBPRGKRZSA-N -1 3 377.404 3.133 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156752 598487448 /nfs/dbraw/zinc/48/74/48/598487448.db2.gz FBUWOYIAOGTRQY-LBPRGKRZSA-N -1 3 377.404 3.133 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000735661092 598487788 /nfs/dbraw/zinc/48/77/88/598487788.db2.gz INQBGSOXKGGLRF-UHFFFAOYSA-N -1 3 379.346 3.089 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000735661092 598487790 /nfs/dbraw/zinc/48/77/90/598487790.db2.gz INQBGSOXKGGLRF-UHFFFAOYSA-N -1 3 379.346 3.089 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1coc(Br)c1 ZINC000735661540 598488183 /nfs/dbraw/zinc/48/81/83/598488183.db2.gz MXKSQAURGIFKKG-UHFFFAOYSA-N -1 3 379.218 3.031 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1coc(Br)c1 ZINC000735661540 598488185 /nfs/dbraw/zinc/48/81/85/598488185.db2.gz MXKSQAURGIFKKG-UHFFFAOYSA-N -1 3 379.218 3.031 20 0 GGADHM CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1OCC ZINC000736637485 598488194 /nfs/dbraw/zinc/48/81/94/598488194.db2.gz PZIHQUFIBCKXME-UHFFFAOYSA-N -1 3 398.467 3.473 20 0 GGADHM CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1OCC ZINC000736637485 598488196 /nfs/dbraw/zinc/48/81/96/598488196.db2.gz PZIHQUFIBCKXME-UHFFFAOYSA-N -1 3 398.467 3.473 20 0 GGADHM COc1ccc2c(ccn2CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737120006 598488987 /nfs/dbraw/zinc/48/89/87/598488987.db2.gz XMTOPCJMQXNVLY-UHFFFAOYSA-N -1 3 393.451 3.025 20 0 GGADHM COc1ccc2c(ccn2CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737120006 598488988 /nfs/dbraw/zinc/48/89/88/598488988.db2.gz XMTOPCJMQXNVLY-UHFFFAOYSA-N -1 3 393.451 3.025 20 0 GGADHM C[C@H](OC(=O)CCc1nnc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736149520 598489138 /nfs/dbraw/zinc/48/91/38/598489138.db2.gz KTTJEZUSBBWNPD-ZDUSSCGKSA-N -1 3 390.403 3.154 20 0 GGADHM C[C@H](OC(=O)CCc1nnc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736149520 598489140 /nfs/dbraw/zinc/48/91/40/598489140.db2.gz KTTJEZUSBBWNPD-ZDUSSCGKSA-N -1 3 390.403 3.154 20 0 GGADHM Cc1cccc(C)c1OCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737391385 598490728 /nfs/dbraw/zinc/49/07/28/598490728.db2.gz ZCAHGWUQAYMBSK-UHFFFAOYSA-N -1 3 382.468 3.448 20 0 GGADHM Cc1cccc(C)c1OCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737391385 598490730 /nfs/dbraw/zinc/49/07/30/598490730.db2.gz ZCAHGWUQAYMBSK-UHFFFAOYSA-N -1 3 382.468 3.448 20 0 GGADHM C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158844 598490768 /nfs/dbraw/zinc/49/07/68/598490768.db2.gz SMPLYPHAUFXURR-SNVBAGLBSA-N -1 3 393.325 3.121 20 0 GGADHM C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158844 598490770 /nfs/dbraw/zinc/49/07/70/598490770.db2.gz SMPLYPHAUFXURR-SNVBAGLBSA-N -1 3 393.325 3.121 20 0 GGADHM CC(C)NC(=O)Nc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735887587 598491181 /nfs/dbraw/zinc/49/11/81/598491181.db2.gz DAILSORJFAOPNQ-ZDUSSCGKSA-N -1 3 394.435 3.315 20 0 GGADHM CC(C)NC(=O)Nc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735887587 598491183 /nfs/dbraw/zinc/49/11/83/598491183.db2.gz DAILSORJFAOPNQ-ZDUSSCGKSA-N -1 3 394.435 3.315 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736161542 598491715 /nfs/dbraw/zinc/49/17/15/598491715.db2.gz WGLXIKWDGKEYQM-GFCCVEGCSA-N -1 3 392.444 3.232 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736161542 598491718 /nfs/dbraw/zinc/49/17/18/598491718.db2.gz WGLXIKWDGKEYQM-GFCCVEGCSA-N -1 3 392.444 3.232 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c3c2CCCC3)cc1 ZINC000594580609 598493036 /nfs/dbraw/zinc/49/30/36/598493036.db2.gz LEVNFTLHXURNHH-UHFFFAOYSA-N -1 3 399.458 3.492 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c3c2CCCC3)cc1 ZINC000594580609 598493037 /nfs/dbraw/zinc/49/30/37/598493037.db2.gz LEVNFTLHXURNHH-UHFFFAOYSA-N -1 3 399.458 3.492 20 0 GGADHM Cc1ccc(N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C2CCCCC2)nc1 ZINC000737348261 598494894 /nfs/dbraw/zinc/49/48/94/598494894.db2.gz WFBGVILCSDVXGZ-UHFFFAOYSA-N -1 3 376.464 3.479 20 0 GGADHM Cc1ccc(N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C2CCCCC2)nc1 ZINC000737348261 598494895 /nfs/dbraw/zinc/49/48/95/598494895.db2.gz WFBGVILCSDVXGZ-UHFFFAOYSA-N -1 3 376.464 3.479 20 0 GGADHM COc1cccc(C2(CNC(=O)c3sccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737125345 598495151 /nfs/dbraw/zinc/49/51/51/598495151.db2.gz CFUQYUIIPMRIAZ-UHFFFAOYSA-N -1 3 383.477 3.179 20 0 GGADHM COc1cccc(C2(CNC(=O)c3sccc3-c3nn[n-]n3)CCCC2)c1 ZINC000737125345 598495152 /nfs/dbraw/zinc/49/51/52/598495152.db2.gz CFUQYUIIPMRIAZ-UHFFFAOYSA-N -1 3 383.477 3.179 20 0 GGADHM CC(C)C[C@@H](C)CC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735760841 598495769 /nfs/dbraw/zinc/49/57/69/598495769.db2.gz IAVWCGRRSPXIQR-OAHLLOKOSA-N -1 3 398.511 3.116 20 0 GGADHM CC(C)C[C@@H](C)CC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735760841 598495770 /nfs/dbraw/zinc/49/57/70/598495770.db2.gz IAVWCGRRSPXIQR-OAHLLOKOSA-N -1 3 398.511 3.116 20 0 GGADHM O=C(CCc1cccc(OC2CCCC2)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737858158 598496514 /nfs/dbraw/zinc/49/65/14/598496514.db2.gz YVPZPUVUOLWKAT-UHFFFAOYSA-N -1 3 391.475 3.437 20 0 GGADHM O=C(CCc1cccc(OC2CCCC2)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737858158 598496516 /nfs/dbraw/zinc/49/65/16/598496516.db2.gz YVPZPUVUOLWKAT-UHFFFAOYSA-N -1 3 391.475 3.437 20 0 GGADHM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000738207378 598499075 /nfs/dbraw/zinc/49/90/75/598499075.db2.gz HRHKYOCICNEHNY-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000738207378 598499076 /nfs/dbraw/zinc/49/90/76/598499076.db2.gz HRHKYOCICNEHNY-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1OCC(F)(F)F ZINC000737217342 598500567 /nfs/dbraw/zinc/50/05/67/598500567.db2.gz CMUYLAVFVVSKSH-UHFFFAOYSA-N -1 3 377.326 3.369 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1OCC(F)(F)F ZINC000737217342 598500569 /nfs/dbraw/zinc/50/05/69/598500569.db2.gz CMUYLAVFVVSKSH-UHFFFAOYSA-N -1 3 377.326 3.369 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C(C)C)C1CCCC1 ZINC000737033745 598504202 /nfs/dbraw/zinc/50/42/02/598504202.db2.gz SCSGRPQWKPKOKQ-UHFFFAOYSA-N -1 3 387.484 3.214 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C(C)C)C1CCCC1 ZINC000737033745 598504203 /nfs/dbraw/zinc/50/42/03/598504203.db2.gz SCSGRPQWKPKOKQ-UHFFFAOYSA-N -1 3 387.484 3.214 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000738385334 598504789 /nfs/dbraw/zinc/50/47/89/598504789.db2.gz HSDGOHGEYJYVSY-MRXNPFEDSA-N -1 3 388.834 3.004 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000738385334 598504791 /nfs/dbraw/zinc/50/47/91/598504791.db2.gz HSDGOHGEYJYVSY-MRXNPFEDSA-N -1 3 388.834 3.004 20 0 GGADHM O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415139 607359316 /nfs/dbraw/zinc/35/93/16/607359316.db2.gz SNWYNFWFJCOZGE-UHFFFAOYSA-N -1 3 398.422 3.425 20 0 GGADHM O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415139 607359317 /nfs/dbraw/zinc/35/93/17/607359317.db2.gz SNWYNFWFJCOZGE-UHFFFAOYSA-N -1 3 398.422 3.425 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1csc(-c2ccoc2)n1 ZINC000736170115 598512744 /nfs/dbraw/zinc/51/27/44/598512744.db2.gz RUJKWKQFOXEQFP-NSHDSACASA-N -1 3 397.416 3.094 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000736674449 598518490 /nfs/dbraw/zinc/51/84/90/598518490.db2.gz CPQKKMVWTRACTR-UHFFFAOYSA-N -1 3 377.857 3.470 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000736674449 598518491 /nfs/dbraw/zinc/51/84/91/598518491.db2.gz CPQKKMVWTRACTR-UHFFFAOYSA-N -1 3 377.857 3.470 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735639891 598519309 /nfs/dbraw/zinc/51/93/09/598519309.db2.gz SKQKSAXWLYWZSN-UHFFFAOYSA-N -1 3 380.408 3.466 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735639891 598519311 /nfs/dbraw/zinc/51/93/11/598519311.db2.gz SKQKSAXWLYWZSN-UHFFFAOYSA-N -1 3 380.408 3.466 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820390036 607360816 /nfs/dbraw/zinc/36/08/16/607360816.db2.gz DIYSSWFAIRTMJI-BJOHPYRUSA-N -1 3 392.246 3.025 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820390036 607360819 /nfs/dbraw/zinc/36/08/19/607360819.db2.gz DIYSSWFAIRTMJI-BJOHPYRUSA-N -1 3 392.246 3.025 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCc2c1cccc2Br ZINC000738179537 598527743 /nfs/dbraw/zinc/52/77/43/598527743.db2.gz VUUNGLLWZMQIPE-HNNXBMFYSA-N -1 3 399.252 3.438 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2c1cccc2Br ZINC000738179537 598527745 /nfs/dbraw/zinc/52/77/45/598527745.db2.gz VUUNGLLWZMQIPE-HNNXBMFYSA-N -1 3 399.252 3.438 20 0 GGADHM O=C(CCc1ccncc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737860621 598530126 /nfs/dbraw/zinc/53/01/26/598530126.db2.gz LFEAHXFBQBCCID-UHFFFAOYSA-N -1 3 387.403 3.020 20 0 GGADHM O=C(CCc1ccncc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737860621 598530128 /nfs/dbraw/zinc/53/01/28/598530128.db2.gz LFEAHXFBQBCCID-UHFFFAOYSA-N -1 3 387.403 3.020 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CC)Cc1ccccc1 ZINC000736638199 598532690 /nfs/dbraw/zinc/53/26/90/598532690.db2.gz XPHSVYPXQKWBFS-MRXNPFEDSA-N -1 3 380.452 3.408 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CC)Cc1ccccc1 ZINC000736638199 598532692 /nfs/dbraw/zinc/53/26/92/598532692.db2.gz XPHSVYPXQKWBFS-MRXNPFEDSA-N -1 3 380.452 3.408 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(OC2CCCC2)c1 ZINC000738101535 598535582 /nfs/dbraw/zinc/53/55/82/598535582.db2.gz HSATVZTXOKBHHU-UHFFFAOYSA-N -1 3 381.411 3.257 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(OC2CCCC2)c1 ZINC000738101535 598535584 /nfs/dbraw/zinc/53/55/84/598535584.db2.gz HSATVZTXOKBHHU-UHFFFAOYSA-N -1 3 381.411 3.257 20 0 GGADHM COc1ccccc1OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737153008 598538078 /nfs/dbraw/zinc/53/80/78/598538078.db2.gz WILRSXQMRVYEIU-UHFFFAOYSA-N -1 3 392.371 3.267 20 0 GGADHM O=C(NCc1cccc(F)c1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738115385 598539564 /nfs/dbraw/zinc/53/95/64/598539564.db2.gz CHAUMJDKTLSZFU-UHFFFAOYSA-N -1 3 393.378 3.108 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCOc2ccccc21 ZINC000735661677 598539761 /nfs/dbraw/zinc/53/97/61/598539761.db2.gz WROAGRAASDKJJI-CYBMUJFWSA-N -1 3 395.467 3.111 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCOc2ccccc21 ZINC000735661677 598539763 /nfs/dbraw/zinc/53/97/63/598539763.db2.gz WROAGRAASDKJJI-CYBMUJFWSA-N -1 3 395.467 3.111 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736265393 598540040 /nfs/dbraw/zinc/54/00/40/598540040.db2.gz JBYIQTBDQSRHNA-CQSZACIVSA-N -1 3 381.436 3.301 20 0 GGADHM C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736265392 598540184 /nfs/dbraw/zinc/54/01/84/598540184.db2.gz JBYIQTBDQSRHNA-AWEZNQCLSA-N -1 3 381.436 3.301 20 0 GGADHM CCO[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736614638 598541720 /nfs/dbraw/zinc/54/17/20/598541720.db2.gz HXBRUNGSRZCIPU-AWEZNQCLSA-N -1 3 381.436 3.118 20 0 GGADHM CCO[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736614638 598541722 /nfs/dbraw/zinc/54/17/22/598541722.db2.gz HXBRUNGSRZCIPU-AWEZNQCLSA-N -1 3 381.436 3.118 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737336128 598542240 /nfs/dbraw/zinc/54/22/40/598542240.db2.gz XTTJGQMJQCBAJA-MRXNPFEDSA-N -1 3 378.480 3.256 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737336128 598542242 /nfs/dbraw/zinc/54/22/42/598542242.db2.gz XTTJGQMJQCBAJA-MRXNPFEDSA-N -1 3 378.480 3.256 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1cncs1 ZINC000738172541 598544452 /nfs/dbraw/zinc/54/44/52/598544452.db2.gz NSHZZNIYHZCIHZ-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1cncs1 ZINC000738172541 598544454 /nfs/dbraw/zinc/54/44/54/598544454.db2.gz NSHZZNIYHZCIHZ-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM COc1cccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737122033 598545404 /nfs/dbraw/zinc/54/54/04/598545404.db2.gz QHCGUMYBXWNJCN-JTQLQIEISA-N -1 3 389.362 3.219 20 0 GGADHM COc1cccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737122033 598545405 /nfs/dbraw/zinc/54/54/05/598545405.db2.gz QHCGUMYBXWNJCN-JTQLQIEISA-N -1 3 389.362 3.219 20 0 GGADHM O=C(CCOc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737847631 598545854 /nfs/dbraw/zinc/54/58/54/598545854.db2.gz KAGKPWWYKPSIFB-UHFFFAOYSA-N -1 3 393.325 3.015 20 0 GGADHM O=C(CCOc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737847631 598545855 /nfs/dbraw/zinc/54/58/55/598545855.db2.gz KAGKPWWYKPSIFB-UHFFFAOYSA-N -1 3 393.325 3.015 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000738139825 598545978 /nfs/dbraw/zinc/54/59/78/598545978.db2.gz QKTOOSFITXQRKH-OLZOCXBDSA-N -1 3 389.337 3.349 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000738139825 598545979 /nfs/dbraw/zinc/54/59/79/598545979.db2.gz QKTOOSFITXQRKH-OLZOCXBDSA-N -1 3 389.337 3.349 20 0 GGADHM COc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737086151 598546551 /nfs/dbraw/zinc/54/65/51/598546551.db2.gz DZYSEIRRIALKAE-UHFFFAOYSA-N -1 3 389.362 3.048 20 0 GGADHM COc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737086151 598546553 /nfs/dbraw/zinc/54/65/53/598546553.db2.gz DZYSEIRRIALKAE-UHFFFAOYSA-N -1 3 389.362 3.048 20 0 GGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735547712 598550983 /nfs/dbraw/zinc/55/09/83/598550983.db2.gz RJHHKNMQXWHQMO-CYBMUJFWSA-N -1 3 385.468 3.159 20 0 GGADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735547712 598550984 /nfs/dbraw/zinc/55/09/84/598550984.db2.gz RJHHKNMQXWHQMO-CYBMUJFWSA-N -1 3 385.468 3.159 20 0 GGADHM CC(C)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC000735720553 598551579 /nfs/dbraw/zinc/55/15/79/598551579.db2.gz GIFWMKLIGULZEV-GOSISDBHSA-N -1 3 387.390 3.037 20 0 GGADHM CC(C)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC000735720553 598551580 /nfs/dbraw/zinc/55/15/80/598551580.db2.gz GIFWMKLIGULZEV-GOSISDBHSA-N -1 3 387.390 3.037 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)Nc1cn[nH]c1 ZINC000737279730 598554622 /nfs/dbraw/zinc/55/46/22/598554622.db2.gz MARXUMCXXBRRKO-UHFFFAOYSA-N -1 3 390.407 3.121 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)Nc1cn[nH]c1 ZINC000737279730 598554623 /nfs/dbraw/zinc/55/46/23/598554623.db2.gz MARXUMCXXBRRKO-UHFFFAOYSA-N -1 3 390.407 3.121 20 0 GGADHM CCN(CC)C(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736521314 598554863 /nfs/dbraw/zinc/55/48/63/598554863.db2.gz FCLYXRXPFOQXGT-OAHLLOKOSA-N -1 3 394.479 3.115 20 0 GGADHM CCN(CC)C(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736521314 598554864 /nfs/dbraw/zinc/55/48/64/598554864.db2.gz FCLYXRXPFOQXGT-OAHLLOKOSA-N -1 3 394.479 3.115 20 0 GGADHM CC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCOCC1 ZINC000736203366 598555048 /nfs/dbraw/zinc/55/50/48/598555048.db2.gz NFSISUMOXDSQKJ-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM CC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCOCC1 ZINC000736203366 598555049 /nfs/dbraw/zinc/55/50/49/598555049.db2.gz NFSISUMOXDSQKJ-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM Cc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737539652 598555321 /nfs/dbraw/zinc/55/53/21/598555321.db2.gz TXMPCTFPRQHWMF-LBPRGKRZSA-N -1 3 377.408 3.310 20 0 GGADHM Cc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737539652 598555323 /nfs/dbraw/zinc/55/53/23/598555323.db2.gz TXMPCTFPRQHWMF-LBPRGKRZSA-N -1 3 377.408 3.310 20 0 GGADHM Cn1cc(C=CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000737606162 598555367 /nfs/dbraw/zinc/55/53/67/598555367.db2.gz YUNSGXIIQIMBNQ-BJMVGYQFSA-N -1 3 387.403 3.044 20 0 GGADHM Cn1cc(C=CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000737606162 598555369 /nfs/dbraw/zinc/55/53/69/598555369.db2.gz YUNSGXIIQIMBNQ-BJMVGYQFSA-N -1 3 387.403 3.044 20 0 GGADHM C[C@H](c1ccco1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736200823 598558522 /nfs/dbraw/zinc/55/85/22/598558522.db2.gz CSNLOHUTRIJVBU-SECBINFHSA-N -1 3 378.339 3.286 20 0 GGADHM C[C@H](c1ccco1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736200823 598558523 /nfs/dbraw/zinc/55/85/23/598558523.db2.gz CSNLOHUTRIJVBU-SECBINFHSA-N -1 3 378.339 3.286 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1-c1ccccc1 ZINC000738338930 598558905 /nfs/dbraw/zinc/55/89/05/598558905.db2.gz KKXAFUQSWOHWPX-UHFFFAOYSA-N -1 3 396.403 3.441 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1-c1ccccc1 ZINC000738338930 598558906 /nfs/dbraw/zinc/55/89/06/598558906.db2.gz KKXAFUQSWOHWPX-UHFFFAOYSA-N -1 3 396.403 3.441 20 0 GGADHM CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736323246 598559679 /nfs/dbraw/zinc/55/96/79/598559679.db2.gz CXIHOOMXABMAMD-UONOGXRCSA-N -1 3 380.452 3.374 20 0 GGADHM CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736323246 598559681 /nfs/dbraw/zinc/55/96/81/598559681.db2.gz CXIHOOMXABMAMD-UONOGXRCSA-N -1 3 380.452 3.374 20 0 GGADHM Cc1cc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)ccc1F ZINC000737264915 598560925 /nfs/dbraw/zinc/56/09/25/598560925.db2.gz QMYPWRDWBRUUJX-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM Cc1cc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)ccc1F ZINC000737264915 598560926 /nfs/dbraw/zinc/56/09/26/598560926.db2.gz QMYPWRDWBRUUJX-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1F ZINC000737341432 598561015 /nfs/dbraw/zinc/56/10/15/598561015.db2.gz HOINZFGRQHLUIL-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1F ZINC000737341432 598561017 /nfs/dbraw/zinc/56/10/17/598561017.db2.gz HOINZFGRQHLUIL-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM O=C1N[C@@H](c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)Nc2ccccc21 ZINC000738315565 598561014 /nfs/dbraw/zinc/56/10/14/598561014.db2.gz KPAVSRIOZGGEPJ-FQEVSTJZSA-N -1 3 398.426 3.300 20 0 GGADHM O=C1N[C@@H](c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)Nc2ccccc21 ZINC000738315565 598561016 /nfs/dbraw/zinc/56/10/16/598561016.db2.gz KPAVSRIOZGGEPJ-FQEVSTJZSA-N -1 3 398.426 3.300 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)o1 ZINC000737318608 598561133 /nfs/dbraw/zinc/56/11/33/598561133.db2.gz BHYDFTSJTHKCRC-VIFPVBQESA-N -1 3 378.339 3.252 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)o1 ZINC000737318608 598561134 /nfs/dbraw/zinc/56/11/34/598561134.db2.gz BHYDFTSJTHKCRC-VIFPVBQESA-N -1 3 378.339 3.252 20 0 GGADHM CCCCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736440992 598565119 /nfs/dbraw/zinc/56/51/19/598565119.db2.gz KVIYUOOWJFIPHA-SFHVURJKSA-N -1 3 392.463 3.243 20 0 GGADHM CCCCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736440992 598565121 /nfs/dbraw/zinc/56/51/21/598565121.db2.gz KVIYUOOWJFIPHA-SFHVURJKSA-N -1 3 392.463 3.243 20 0 GGADHM CO[C@H](C)CCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736958134 598565837 /nfs/dbraw/zinc/56/58/37/598565837.db2.gz NLVRZCVUGVWCCW-CYBMUJFWSA-N -1 3 382.424 3.206 20 0 GGADHM CO[C@H](C)CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736958134 598565838 /nfs/dbraw/zinc/56/58/38/598565838.db2.gz NLVRZCVUGVWCCW-CYBMUJFWSA-N -1 3 382.424 3.206 20 0 GGADHM COCC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736979886 598565898 /nfs/dbraw/zinc/56/58/98/598565898.db2.gz VPSLBWKMCIRSQS-CYBMUJFWSA-N -1 3 382.424 3.206 20 0 GGADHM COCC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736979886 598565899 /nfs/dbraw/zinc/56/58/99/598565899.db2.gz VPSLBWKMCIRSQS-CYBMUJFWSA-N -1 3 382.424 3.206 20 0 GGADHM Cc1cnc(-c2cccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)c2)o1 ZINC000737446664 598565904 /nfs/dbraw/zinc/56/59/04/598565904.db2.gz RXKKONQYTWXURO-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM Cc1cnc(-c2cccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)c2)o1 ZINC000737446664 598565905 /nfs/dbraw/zinc/56/59/05/598565905.db2.gz RXKKONQYTWXURO-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM O=C(OCc1cccs1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738235917 598566043 /nfs/dbraw/zinc/56/60/43/598566043.db2.gz YPHQUSYMKBKXMW-UHFFFAOYSA-N -1 3 382.401 3.457 20 0 GGADHM CCCCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825291626 607358624 /nfs/dbraw/zinc/35/86/24/607358624.db2.gz VVKNGBNTMDPFRH-UHFFFAOYSA-N -1 3 380.404 3.085 20 0 GGADHM CCCCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825291626 607358626 /nfs/dbraw/zinc/35/86/26/607358626.db2.gz VVKNGBNTMDPFRH-UHFFFAOYSA-N -1 3 380.404 3.085 20 0 GGADHM c1cc(CN(CCCOc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc2)n[nH]1 ZINC000738432601 598567682 /nfs/dbraw/zinc/56/76/82/598567682.db2.gz JRFGLQLGBBKGFM-UHFFFAOYSA-N -1 3 389.463 3.061 20 0 GGADHM C[C@@H](c1ccccc1)n1cnnc1SCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736201752 598569025 /nfs/dbraw/zinc/56/90/25/598569025.db2.gz HKORTFLXIYTEPE-ZDUSSCGKSA-N -1 3 391.460 3.043 20 0 GGADHM C[C@@H](c1ccccc1)n1cnnc1SCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736201752 598569026 /nfs/dbraw/zinc/56/90/26/598569026.db2.gz HKORTFLXIYTEPE-ZDUSSCGKSA-N -1 3 391.460 3.043 20 0 GGADHM CCNc1nc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC000736579512 598569076 /nfs/dbraw/zinc/56/90/76/598569076.db2.gz DNQSJYFKTXACHN-UHFFFAOYSA-N -1 3 391.460 3.217 20 0 GGADHM CCNc1nc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC000736579512 598569079 /nfs/dbraw/zinc/56/90/79/598569079.db2.gz DNQSJYFKTXACHN-UHFFFAOYSA-N -1 3 391.460 3.217 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cccc1N1CCCC1 ZINC000737855106 598570405 /nfs/dbraw/zinc/57/04/05/598570405.db2.gz ZVLAOVQNGCBGEP-UHFFFAOYSA-N -1 3 380.427 3.177 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cccc1N1CCCC1 ZINC000737855106 598570407 /nfs/dbraw/zinc/57/04/07/598570407.db2.gz ZVLAOVQNGCBGEP-UHFFFAOYSA-N -1 3 380.427 3.177 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736188456 598571943 /nfs/dbraw/zinc/57/19/43/598571943.db2.gz OPKUJEWXNWOETA-JTQLQIEISA-N -1 3 377.326 3.292 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736188456 598571944 /nfs/dbraw/zinc/57/19/44/598571944.db2.gz OPKUJEWXNWOETA-JTQLQIEISA-N -1 3 377.326 3.292 20 0 GGADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000738191851 598572604 /nfs/dbraw/zinc/57/26/04/598572604.db2.gz LVFTUWWXLBQZRV-KGLIPLIRSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000738191851 598572605 /nfs/dbraw/zinc/57/26/05/598572605.db2.gz LVFTUWWXLBQZRV-KGLIPLIRSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000738191853 598572706 /nfs/dbraw/zinc/57/27/06/598572706.db2.gz LVFTUWWXLBQZRV-ZIAGYGMSSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000738191853 598572708 /nfs/dbraw/zinc/57/27/08/598572708.db2.gz LVFTUWWXLBQZRV-ZIAGYGMSSA-N -1 3 384.237 3.371 20 0 GGADHM COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000737055254 598573065 /nfs/dbraw/zinc/57/30/65/598573065.db2.gz BSWDEUZXEMFPSC-UHFFFAOYSA-N -1 3 390.403 3.102 20 0 GGADHM COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000737055254 598573067 /nfs/dbraw/zinc/57/30/67/598573067.db2.gz BSWDEUZXEMFPSC-UHFFFAOYSA-N -1 3 390.403 3.102 20 0 GGADHM COc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737102822 598574824 /nfs/dbraw/zinc/57/48/24/598574824.db2.gz PESXWQHMSRNKCY-INIZCTEOSA-N -1 3 398.854 3.136 20 0 GGADHM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000736101694 598575797 /nfs/dbraw/zinc/57/57/97/598575797.db2.gz OWZJBXFNIDRODX-FZKQIMNGSA-N -1 3 396.882 3.366 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737320496 598577233 /nfs/dbraw/zinc/57/72/33/598577233.db2.gz LPBAFVDEMULECL-JXFKEZNVSA-N -1 3 390.491 3.330 20 0 GGADHM FC(F)(F)CN1CCC(Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000737627193 598578077 /nfs/dbraw/zinc/57/80/77/598578077.db2.gz MMNZKFZQTJMDQL-UHFFFAOYSA-N -1 3 394.323 3.324 20 0 GGADHM FC(F)(F)CN1CCC(Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000737627193 598578078 /nfs/dbraw/zinc/57/80/78/598578078.db2.gz MMNZKFZQTJMDQL-UHFFFAOYSA-N -1 3 394.323 3.324 20 0 GGADHM C[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736275960 598578378 /nfs/dbraw/zinc/57/83/78/598578378.db2.gz FPYWRUWGBFYKGA-MGPUTAFESA-N -1 3 388.475 3.376 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735915856 598578392 /nfs/dbraw/zinc/57/83/92/598578392.db2.gz SYAGHJJCUALBJT-IBGZPJMESA-N -1 3 392.463 3.261 20 0 GGADHM Cc1ccc(N(C)C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737346058 598578907 /nfs/dbraw/zinc/57/89/07/598578907.db2.gz CMOQISQTCVSIOM-IBGZPJMESA-N -1 3 376.464 3.115 20 0 GGADHM O=C(Nc1ccc2ncccc2c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738178578 598579008 /nfs/dbraw/zinc/57/90/08/598579008.db2.gz WSFLYCWBZMSYKQ-IBGZPJMESA-N -1 3 385.431 3.022 20 0 GGADHM O=C(CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NCc1ccccc1 ZINC000737847115 598579743 /nfs/dbraw/zinc/57/97/43/598579743.db2.gz FZYFAWBNRBBNAM-UHFFFAOYSA-N -1 3 390.369 3.004 20 0 GGADHM O=C(CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NCc1ccccc1 ZINC000737847115 598579744 /nfs/dbraw/zinc/57/97/44/598579744.db2.gz FZYFAWBNRBBNAM-UHFFFAOYSA-N -1 3 390.369 3.004 20 0 GGADHM O[C@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000738382462 598582781 /nfs/dbraw/zinc/58/27/81/598582781.db2.gz REDNQNUKZLHYMA-GOSISDBHSA-N -1 3 390.472 3.040 20 0 GGADHM O[C@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000738382462 598582782 /nfs/dbraw/zinc/58/27/82/598582782.db2.gz REDNQNUKZLHYMA-GOSISDBHSA-N -1 3 390.472 3.040 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000737293334 598583092 /nfs/dbraw/zinc/58/30/92/598583092.db2.gz BVQFZHYRQGOPIN-LJQANCHMSA-N -1 3 388.431 3.183 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000737293334 598583093 /nfs/dbraw/zinc/58/30/93/598583093.db2.gz BVQFZHYRQGOPIN-LJQANCHMSA-N -1 3 388.431 3.183 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737115398 598584873 /nfs/dbraw/zinc/58/48/73/598584873.db2.gz PKTWJKHATIAKFR-ZDUSSCGKSA-N -1 3 381.411 3.463 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737115398 598584875 /nfs/dbraw/zinc/58/48/75/598584875.db2.gz PKTWJKHATIAKFR-ZDUSSCGKSA-N -1 3 381.411 3.463 20 0 GGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737343869 598584966 /nfs/dbraw/zinc/58/49/66/598584966.db2.gz WOLWUPSGLVVFJG-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737343869 598584968 /nfs/dbraw/zinc/58/49/68/598584968.db2.gz WOLWUPSGLVVFJG-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000737960876 598586844 /nfs/dbraw/zinc/58/68/44/598586844.db2.gz IVGNKDOROHOQFQ-UHFFFAOYSA-N -1 3 378.823 3.492 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000737960876 598586846 /nfs/dbraw/zinc/58/68/46/598586846.db2.gz IVGNKDOROHOQFQ-UHFFFAOYSA-N -1 3 378.823 3.492 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCc1cccc(F)c1 ZINC000735734651 598587174 /nfs/dbraw/zinc/58/71/74/598587174.db2.gz IUHMBGYHNRUHOC-LJQANCHMSA-N -1 3 397.454 3.158 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCc1cccc(F)c1 ZINC000735734651 598587176 /nfs/dbraw/zinc/58/71/76/598587176.db2.gz IUHMBGYHNRUHOC-LJQANCHMSA-N -1 3 397.454 3.158 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1Br ZINC000738167747 598589919 /nfs/dbraw/zinc/58/99/19/598589919.db2.gz SYXHXKAMAAWTTJ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1Br ZINC000738167747 598589921 /nfs/dbraw/zinc/58/99/21/598589921.db2.gz SYXHXKAMAAWTTJ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1Br ZINC000738167186 598589925 /nfs/dbraw/zinc/58/99/25/598589925.db2.gz OBGJXJYNTGGHTQ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1Br ZINC000738167186 598589927 /nfs/dbraw/zinc/58/99/27/598589927.db2.gz OBGJXJYNTGGHTQ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737977685 598589943 /nfs/dbraw/zinc/58/99/43/598589943.db2.gz GJMGYKALOKQFMP-UHFFFAOYSA-N -1 3 398.398 3.450 20 0 GGADHM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737977685 598589946 /nfs/dbraw/zinc/58/99/46/598589946.db2.gz GJMGYKALOKQFMP-UHFFFAOYSA-N -1 3 398.398 3.450 20 0 GGADHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000738296205 598594739 /nfs/dbraw/zinc/59/47/39/598594739.db2.gz KYCHIIZEVXYWTI-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000738296205 598594740 /nfs/dbraw/zinc/59/47/40/598594740.db2.gz KYCHIIZEVXYWTI-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM c1ccc(Cc2nc(CSCCOc3ccccc3-c3nnn[n-]3)no2)cc1 ZINC000738433197 598597305 /nfs/dbraw/zinc/59/73/05/598597305.db2.gz RFYMCKYRLGKVAA-UHFFFAOYSA-N -1 3 394.460 3.153 20 0 GGADHM c1ccc(Cc2nc(CSCCOc3ccccc3-c3nn[n-]n3)no2)cc1 ZINC000738433197 598597307 /nfs/dbraw/zinc/59/73/07/598597307.db2.gz RFYMCKYRLGKVAA-UHFFFAOYSA-N -1 3 394.460 3.153 20 0 GGADHM COc1cc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1SC ZINC000737047658 598598673 /nfs/dbraw/zinc/59/86/73/598598673.db2.gz OTCLCTVKQDLAKV-UHFFFAOYSA-N -1 3 384.461 3.273 20 0 GGADHM COc1cc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1SC ZINC000737047658 598598675 /nfs/dbraw/zinc/59/86/75/598598675.db2.gz OTCLCTVKQDLAKV-UHFFFAOYSA-N -1 3 384.461 3.273 20 0 GGADHM CCc1cccc2c(CC(=O)OCCOc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736695240 598599711 /nfs/dbraw/zinc/59/97/11/598599711.db2.gz IUYDMLXLZGASRN-UHFFFAOYSA-N -1 3 391.431 3.075 20 0 GGADHM CCc1cccc2c(CC(=O)OCCOc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736695240 598599713 /nfs/dbraw/zinc/59/97/13/598599713.db2.gz IUYDMLXLZGASRN-UHFFFAOYSA-N -1 3 391.431 3.075 20 0 GGADHM O=C(NCCCc1cccc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738074813 598602190 /nfs/dbraw/zinc/60/21/90/598602190.db2.gz GOEOFGYAXSDRHZ-UHFFFAOYSA-N -1 3 394.454 3.313 20 0 GGADHM O=C(NCCCc1cccc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738074813 598602192 /nfs/dbraw/zinc/60/21/92/598602192.db2.gz GOEOFGYAXSDRHZ-UHFFFAOYSA-N -1 3 394.454 3.313 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1ccc(SC(F)F)cc1 ZINC000737898269 598603900 /nfs/dbraw/zinc/60/39/00/598603900.db2.gz HDHHTXCPSFIPLX-UHFFFAOYSA-N -1 3 394.382 3.371 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1ccc(SC(F)F)cc1 ZINC000737898269 598603902 /nfs/dbraw/zinc/60/39/02/598603902.db2.gz HDHHTXCPSFIPLX-UHFFFAOYSA-N -1 3 394.382 3.371 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ccc(Br)cc12 ZINC000738117120 598605292 /nfs/dbraw/zinc/60/52/92/598605292.db2.gz NGEFVINWVXUDEM-UHFFFAOYSA-N -1 3 397.236 3.041 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2ccc(Br)cc12 ZINC000738117120 598605293 /nfs/dbraw/zinc/60/52/93/598605293.db2.gz NGEFVINWVXUDEM-UHFFFAOYSA-N -1 3 397.236 3.041 20 0 GGADHM COc1cc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)ccc1OC(F)F ZINC000737031823 598608710 /nfs/dbraw/zinc/60/87/10/598608710.db2.gz GCINGMPJSISLKA-UHFFFAOYSA-N -1 3 386.318 3.194 20 0 GGADHM COc1cc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)ccc1OC(F)F ZINC000737031823 598608712 /nfs/dbraw/zinc/60/87/12/598608712.db2.gz GCINGMPJSISLKA-UHFFFAOYSA-N -1 3 386.318 3.194 20 0 GGADHM Brc1csc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000735374911 598610524 /nfs/dbraw/zinc/61/05/24/598610524.db2.gz FNFYOGIOMVRVSC-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM Brc1csc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000735374911 598610526 /nfs/dbraw/zinc/61/05/26/598610526.db2.gz FNFYOGIOMVRVSC-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM CCc1nnc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000736706151 598614057 /nfs/dbraw/zinc/61/40/57/598614057.db2.gz HRUWZZWJBCSGLH-UHFFFAOYSA-N -1 3 377.408 3.003 20 0 GGADHM CCc1nnc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000736706151 598614059 /nfs/dbraw/zinc/61/40/59/598614059.db2.gz HRUWZZWJBCSGLH-UHFFFAOYSA-N -1 3 377.408 3.003 20 0 GGADHM O=c1c2c(ccn2Cc2ccccc2)ccn1Cc1ccccc1-c1nnn[n-]1 ZINC000738370294 598614542 /nfs/dbraw/zinc/61/45/42/598614542.db2.gz ARCSKZFDQBPSRW-UHFFFAOYSA-N -1 3 382.427 3.080 20 0 GGADHM O=c1c2c(ccn2Cc2ccccc2)ccn1Cc1ccccc1-c1nn[n-]n1 ZINC000738370294 598614543 /nfs/dbraw/zinc/61/45/43/598614543.db2.gz ARCSKZFDQBPSRW-UHFFFAOYSA-N -1 3 382.427 3.080 20 0 GGADHM CC(C)(C)c1ccc(C=CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000735650442 598614641 /nfs/dbraw/zinc/61/46/41/598614641.db2.gz OMEGJIMMDACRNR-RMKNXTFCSA-N -1 3 395.492 3.118 20 0 GGADHM CC(C)(C)c1ccc(C=CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000735650442 598614643 /nfs/dbraw/zinc/61/46/43/598614643.db2.gz OMEGJIMMDACRNR-RMKNXTFCSA-N -1 3 395.492 3.118 20 0 GGADHM C[C@H]1CCCN(c2ccccc2OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736277256 598616498 /nfs/dbraw/zinc/61/64/98/598616498.db2.gz LVJOXNROSMDZFV-HNNXBMFYSA-N -1 3 392.463 3.121 20 0 GGADHM C[C@H]1CCCN(c2ccccc2OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736277256 598616499 /nfs/dbraw/zinc/61/64/99/598616499.db2.gz LVJOXNROSMDZFV-HNNXBMFYSA-N -1 3 392.463 3.121 20 0 GGADHM O=C(COC(=O)c1cc2cc(F)ccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415355 607360972 /nfs/dbraw/zinc/36/09/72/607360972.db2.gz BHYJLZXKYCGNCB-UHFFFAOYSA-N -1 3 382.376 3.260 20 0 GGADHM O=C(COC(=O)c1cc2cc(F)ccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415355 607360973 /nfs/dbraw/zinc/36/09/73/607360973.db2.gz BHYJLZXKYCGNCB-UHFFFAOYSA-N -1 3 382.376 3.260 20 0 GGADHM O=C(NCCc1ccccc1C(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738088537 598626738 /nfs/dbraw/zinc/62/67/38/598626738.db2.gz QISYMLFWRHWWOZ-UHFFFAOYSA-N -1 3 394.332 3.389 20 0 GGADHM O=C(NCCc1ccccc1C(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738088537 598626740 /nfs/dbraw/zinc/62/67/40/598626740.db2.gz QISYMLFWRHWWOZ-UHFFFAOYSA-N -1 3 394.332 3.389 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000738163123 598626957 /nfs/dbraw/zinc/62/69/57/598626957.db2.gz OPVBZVQSQMFSNP-HNNXBMFYSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000738163123 598626958 /nfs/dbraw/zinc/62/69/58/598626958.db2.gz OPVBZVQSQMFSNP-HNNXBMFYSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(NCCCCOCc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738052820 598628013 /nfs/dbraw/zinc/62/80/13/598628013.db2.gz DOFYHNPHIPZXKB-UHFFFAOYSA-N -1 3 384.415 3.124 20 0 GGADHM O=C(NCCCCOCc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738052820 598628015 /nfs/dbraw/zinc/62/80/15/598628015.db2.gz DOFYHNPHIPZXKB-UHFFFAOYSA-N -1 3 384.415 3.124 20 0 GGADHM COc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000737048390 598630785 /nfs/dbraw/zinc/63/07/85/598630785.db2.gz ZWAJUZWBAVPUOH-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000737048390 598630786 /nfs/dbraw/zinc/63/07/86/598630786.db2.gz ZWAJUZWBAVPUOH-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM O=c1[nH]c2ccccc2n1C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000738372865 598632169 /nfs/dbraw/zinc/63/21/69/598632169.db2.gz XACYRDGRRZHTOF-UHFFFAOYSA-N -1 3 395.854 3.417 20 0 GGADHM O=c1[nH]c2ccccc2n1C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000738372865 598632170 /nfs/dbraw/zinc/63/21/70/598632170.db2.gz XACYRDGRRZHTOF-UHFFFAOYSA-N -1 3 395.854 3.417 20 0 GGADHM COc1ccc([C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000737076385 598632395 /nfs/dbraw/zinc/63/23/95/598632395.db2.gz QSCMUFDXUWVESK-KRWDZBQOSA-N -1 3 382.399 3.287 20 0 GGADHM COc1ccc([C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000737076385 598632397 /nfs/dbraw/zinc/63/23/97/598632397.db2.gz QSCMUFDXUWVESK-KRWDZBQOSA-N -1 3 382.399 3.287 20 0 GGADHM C[C@@H]1CN(c2ccc(CNc3cc(Cl)ccc3-c3nnn[n-]3)cn2)C[C@@H](C)O1 ZINC000736291403 598634236 /nfs/dbraw/zinc/63/42/36/598634236.db2.gz WQOQFRZWOQIPPP-CHWSQXEVSA-N -1 3 399.886 3.141 20 0 GGADHM C[C@@H]1CN(c2ccc(CNc3cc(Cl)ccc3-c3nn[n-]n3)cn2)C[C@@H](C)O1 ZINC000736291403 598634238 /nfs/dbraw/zinc/63/42/38/598634238.db2.gz WQOQFRZWOQIPPP-CHWSQXEVSA-N -1 3 399.886 3.141 20 0 GGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736438670 598637119 /nfs/dbraw/zinc/63/71/19/598637119.db2.gz OVAWWFZSHYCRRS-WBVHZDCISA-N -1 3 395.463 3.374 20 0 GGADHM CCCC[C@@H](Cc1ccccn1)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736438670 598637121 /nfs/dbraw/zinc/63/71/21/598637121.db2.gz OVAWWFZSHYCRRS-WBVHZDCISA-N -1 3 395.463 3.374 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc2c(cccc2F)n1CC ZINC000736628803 598642602 /nfs/dbraw/zinc/64/26/02/598642602.db2.gz XPZCIXXKPZMRPY-UHFFFAOYSA-N -1 3 382.399 3.353 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc2c(cccc2F)n1CC ZINC000736628803 598642603 /nfs/dbraw/zinc/64/26/03/598642603.db2.gz XPZCIXXKPZMRPY-UHFFFAOYSA-N -1 3 382.399 3.353 20 0 GGADHM Cc1cccc(-c2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)n2C)c1 ZINC000737380158 598643462 /nfs/dbraw/zinc/64/34/62/598643462.db2.gz MDBZKFFHPLQFOF-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM Cc1cccc(-c2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)n2C)c1 ZINC000737380158 598643463 /nfs/dbraw/zinc/64/34/63/598643463.db2.gz MDBZKFFHPLQFOF-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM CCn1c(CSc2nc(C)nc(C)c2-c2nnn[n-]2)nc2c1cccc2F ZINC000736714957 598644299 /nfs/dbraw/zinc/64/42/99/598644299.db2.gz XWIPKZPENDNOQG-UHFFFAOYSA-N -1 3 384.444 3.075 20 0 GGADHM Fc1ccc(COc2ccccc2I)c(-c2nnn[n-]2)c1 ZINC000737651548 598644680 /nfs/dbraw/zinc/64/46/80/598644680.db2.gz XTDKIUDKVGYANY-UHFFFAOYSA-N -1 3 396.163 3.189 20 0 GGADHM Fc1ccc(COc2ccccc2I)c(-c2nn[n-]n2)c1 ZINC000737651548 598644681 /nfs/dbraw/zinc/64/46/81/598644681.db2.gz XTDKIUDKVGYANY-UHFFFAOYSA-N -1 3 396.163 3.189 20 0 GGADHM O=C(Oc1ccccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738246524 598645769 /nfs/dbraw/zinc/64/57/69/598645769.db2.gz GDPZDJJHCFEXHM-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM O=C(Oc1ccccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738246524 598645771 /nfs/dbraw/zinc/64/57/71/598645771.db2.gz GDPZDJJHCFEXHM-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM CC(C)COc1ncccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735843861 598647485 /nfs/dbraw/zinc/64/74/85/598647485.db2.gz BZLYJCOCRMXRLK-UHFFFAOYSA-N -1 3 398.492 3.489 20 0 GGADHM CC(C)COc1ncccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735843861 598647486 /nfs/dbraw/zinc/64/74/86/598647486.db2.gz BZLYJCOCRMXRLK-UHFFFAOYSA-N -1 3 398.492 3.489 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc2c(s1)CCOC2 ZINC000738210618 598647938 /nfs/dbraw/zinc/64/79/38/598647938.db2.gz SAKVHCPVWSTPFQ-UHFFFAOYSA-N -1 3 387.490 3.194 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc2c(s1)CCOC2 ZINC000738210618 598647940 /nfs/dbraw/zinc/64/79/40/598647940.db2.gz SAKVHCPVWSTPFQ-UHFFFAOYSA-N -1 3 387.490 3.194 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCCSc1ccccc1 ZINC000737941638 598649436 /nfs/dbraw/zinc/64/94/36/598649436.db2.gz OMHHONKMOVBNRQ-UHFFFAOYSA-N -1 3 385.518 3.257 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCCSc1ccccc1 ZINC000737941638 598649437 /nfs/dbraw/zinc/64/94/37/598649437.db2.gz OMHHONKMOVBNRQ-UHFFFAOYSA-N -1 3 385.518 3.257 20 0 GGADHM COc1ccc([C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737073913 598650057 /nfs/dbraw/zinc/65/00/57/598650057.db2.gz GCXVVSVSUHLWSM-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM COc1ccc([C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737073913 598650058 /nfs/dbraw/zinc/65/00/58/598650058.db2.gz GCXVVSVSUHLWSM-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM Cc1ccc(C2(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CCOCC2)cc1 ZINC000737332373 598650379 /nfs/dbraw/zinc/65/03/79/598650379.db2.gz TWKCACWPSOVIBB-INIZCTEOSA-N -1 3 391.475 3.101 20 0 GGADHM Cc1ccc(C2(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000737332373 598650381 /nfs/dbraw/zinc/65/03/81/598650381.db2.gz TWKCACWPSOVIBB-INIZCTEOSA-N -1 3 391.475 3.101 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cnc(-c2ccccc2)nc1 ZINC000737949077 598651327 /nfs/dbraw/zinc/65/13/27/598651327.db2.gz WKEBREPWMABJHD-UHFFFAOYSA-N -1 3 389.444 3.055 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cnc(-c2ccccc2)nc1 ZINC000737949077 598651329 /nfs/dbraw/zinc/65/13/29/598651329.db2.gz WKEBREPWMABJHD-UHFFFAOYSA-N -1 3 389.444 3.055 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccnc1OCC(C)C ZINC000736482339 598651871 /nfs/dbraw/zinc/65/18/71/598651871.db2.gz ZQOLPKHZMXZLMQ-UHFFFAOYSA-N -1 3 394.479 3.349 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccnc1OCC(C)C ZINC000736482339 598651873 /nfs/dbraw/zinc/65/18/73/598651873.db2.gz ZQOLPKHZMXZLMQ-UHFFFAOYSA-N -1 3 394.479 3.349 20 0 GGADHM Cc1cccc([C@@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)N2CCOCC2)c1 ZINC000737388690 598652257 /nfs/dbraw/zinc/65/22/57/598652257.db2.gz LGDSABDARNEOQK-LJQANCHMSA-N -1 3 398.898 3.314 20 0 GGADHM Cc1cccc([C@@H](CNc2ccc(-c3nn[n-]n3)c(Cl)c2)N2CCOCC2)c1 ZINC000737388690 598652259 /nfs/dbraw/zinc/65/22/59/598652259.db2.gz LGDSABDARNEOQK-LJQANCHMSA-N -1 3 398.898 3.314 20 0 GGADHM CC(C)N(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735859071 598652653 /nfs/dbraw/zinc/65/26/53/598652653.db2.gz NUIGQEYBSDUGOK-UHFFFAOYSA-N -1 3 378.436 3.315 20 0 GGADHM CC(C)N(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735859071 598652655 /nfs/dbraw/zinc/65/26/55/598652655.db2.gz NUIGQEYBSDUGOK-UHFFFAOYSA-N -1 3 378.436 3.315 20 0 GGADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737823570 598653918 /nfs/dbraw/zinc/65/39/18/598653918.db2.gz JOFSMXHVEKWFGQ-INIZCTEOSA-N -1 3 394.435 3.342 20 0 GGADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737823570 598653920 /nfs/dbraw/zinc/65/39/20/598653920.db2.gz JOFSMXHVEKWFGQ-INIZCTEOSA-N -1 3 394.435 3.342 20 0 GGADHM Cc1ccccc1OCCCN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737432288 598655383 /nfs/dbraw/zinc/65/53/83/598655383.db2.gz UFLQYKLSYOCHAG-UHFFFAOYSA-N -1 3 397.504 3.195 20 0 GGADHM Cc1ccccc1OCCCN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737432288 598655384 /nfs/dbraw/zinc/65/53/84/598655384.db2.gz UFLQYKLSYOCHAG-UHFFFAOYSA-N -1 3 397.504 3.195 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cc(F)cc(F)c21 ZINC000737941474 598655460 /nfs/dbraw/zinc/65/54/60/598655460.db2.gz CHKPSFUCTAVHGD-UHFFFAOYSA-N -1 3 387.415 3.216 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(F)cc(F)c21 ZINC000737941474 598655462 /nfs/dbraw/zinc/65/54/62/598655462.db2.gz CHKPSFUCTAVHGD-UHFFFAOYSA-N -1 3 387.415 3.216 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736538063 598656312 /nfs/dbraw/zinc/65/63/12/598656312.db2.gz RTTHGXAQDZNETE-UHFFFAOYSA-N -1 3 385.390 3.217 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736538063 598656313 /nfs/dbraw/zinc/65/63/13/598656313.db2.gz RTTHGXAQDZNETE-UHFFFAOYSA-N -1 3 385.390 3.217 20 0 GGADHM Cc1cccc(CCNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737392279 598656563 /nfs/dbraw/zinc/65/65/63/598656563.db2.gz SCHQPLDJVIQQGX-UHFFFAOYSA-N -1 3 379.464 3.083 20 0 GGADHM Cc1cccc(CCNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737392279 598656566 /nfs/dbraw/zinc/65/65/66/598656566.db2.gz SCHQPLDJVIQQGX-UHFFFAOYSA-N -1 3 379.464 3.083 20 0 GGADHM Cc1cccc(C(C)(C)CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737384207 598657527 /nfs/dbraw/zinc/65/75/27/598657527.db2.gz IPYSZUINQKXUCX-UHFFFAOYSA-N -1 3 381.505 3.361 20 0 GGADHM Cc1cccc(C(C)(C)CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737384207 598657529 /nfs/dbraw/zinc/65/75/29/598657529.db2.gz IPYSZUINQKXUCX-UHFFFAOYSA-N -1 3 381.505 3.361 20 0 GGADHM COc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737101668 598658193 /nfs/dbraw/zinc/65/81/93/598658193.db2.gz IETYUUJANWUQSB-UHFFFAOYSA-N -1 3 381.436 3.372 20 0 GGADHM COc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737101668 598658195 /nfs/dbraw/zinc/65/81/95/598658195.db2.gz IETYUUJANWUQSB-UHFFFAOYSA-N -1 3 381.436 3.372 20 0 GGADHM COc1ccncc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737160148 598658340 /nfs/dbraw/zinc/65/83/40/598658340.db2.gz UKKMJTNDCOTTLJ-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422206 598658674 /nfs/dbraw/zinc/65/86/74/598658674.db2.gz LWJODMAFAJMSJR-MRXNPFEDSA-N -1 3 379.489 3.283 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422206 598658675 /nfs/dbraw/zinc/65/86/75/598658675.db2.gz LWJODMAFAJMSJR-MRXNPFEDSA-N -1 3 379.489 3.283 20 0 GGADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737916794 598659020 /nfs/dbraw/zinc/65/90/20/598659020.db2.gz YQBQAIXBICNVFW-UHFFFAOYSA-N -1 3 386.415 3.006 20 0 GGADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737916794 598659021 /nfs/dbraw/zinc/65/90/21/598659021.db2.gz YQBQAIXBICNVFW-UHFFFAOYSA-N -1 3 386.415 3.006 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1occc1CSc1ccccc1 ZINC000738150449 598659518 /nfs/dbraw/zinc/65/95/18/598659518.db2.gz MCGLBPOFUGNERO-UHFFFAOYSA-N -1 3 378.417 3.399 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1occc1CSc1ccccc1 ZINC000738150449 598659519 /nfs/dbraw/zinc/65/95/19/598659519.db2.gz MCGLBPOFUGNERO-UHFFFAOYSA-N -1 3 378.417 3.399 20 0 GGADHM COc1ccccc1C(C)(C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737139127 598660145 /nfs/dbraw/zinc/66/01/45/598660145.db2.gz SVZKXKUBFFSDBK-UHFFFAOYSA-N -1 3 383.477 3.019 20 0 GGADHM COc1ccccc1C(C)(C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737139127 598660146 /nfs/dbraw/zinc/66/01/46/598660146.db2.gz SVZKXKUBFFSDBK-UHFFFAOYSA-N -1 3 383.477 3.019 20 0 GGADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000736731991 598661354 /nfs/dbraw/zinc/66/13/54/598661354.db2.gz IPJZJGAOMFMQQS-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000736731991 598661356 /nfs/dbraw/zinc/66/13/56/598661356.db2.gz IPJZJGAOMFMQQS-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM CN(C(=O)COc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736737709 598661607 /nfs/dbraw/zinc/66/16/07/598661607.db2.gz VXGJSINAVOHCBK-INIZCTEOSA-N -1 3 391.353 3.008 20 0 GGADHM CN(C(=O)COc1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736737709 598661610 /nfs/dbraw/zinc/66/16/10/598661610.db2.gz VXGJSINAVOHCBK-INIZCTEOSA-N -1 3 391.353 3.008 20 0 GGADHM Cc1csc(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737452485 598664855 /nfs/dbraw/zinc/66/48/55/598664855.db2.gz MDTIOKLZEZLZIZ-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM Cc1csc(CNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737452485 598664857 /nfs/dbraw/zinc/66/48/57/598664857.db2.gz MDTIOKLZEZLZIZ-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000737943624 598665543 /nfs/dbraw/zinc/66/55/43/598665543.db2.gz SPNMLTPYLVHQGM-RYUDHWBXSA-N -1 3 385.415 3.196 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000737943624 598665544 /nfs/dbraw/zinc/66/55/44/598665544.db2.gz SPNMLTPYLVHQGM-RYUDHWBXSA-N -1 3 385.415 3.196 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000735734609 598666060 /nfs/dbraw/zinc/66/60/60/598666060.db2.gz HSWWJMPHSQJLTD-UZLBHIALSA-N -1 3 391.475 3.116 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000735734609 598666062 /nfs/dbraw/zinc/66/60/62/598666062.db2.gz HSWWJMPHSQJLTD-UZLBHIALSA-N -1 3 391.475 3.116 20 0 GGADHM CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736534260 598666193 /nfs/dbraw/zinc/66/61/93/598666193.db2.gz JTWPIWIFJNYGSV-IBGZPJMESA-N -1 3 393.447 3.300 20 0 GGADHM CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736534260 598666194 /nfs/dbraw/zinc/66/61/94/598666194.db2.gz JTWPIWIFJNYGSV-IBGZPJMESA-N -1 3 393.447 3.300 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000735734608 598666410 /nfs/dbraw/zinc/66/64/10/598666410.db2.gz HSWWJMPHSQJLTD-OXQOHEQNSA-N -1 3 391.475 3.116 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000735734608 598666412 /nfs/dbraw/zinc/66/64/12/598666412.db2.gz HSWWJMPHSQJLTD-OXQOHEQNSA-N -1 3 391.475 3.116 20 0 GGADHM O=C(NCCOC1CCCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738083296 598667331 /nfs/dbraw/zinc/66/73/31/598667331.db2.gz UFBMHQRNHJOPHZ-UHFFFAOYSA-N -1 3 393.447 3.348 20 0 GGADHM O=C(NCCOC1CCCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738083296 598667333 /nfs/dbraw/zinc/66/73/33/598667333.db2.gz UFBMHQRNHJOPHZ-UHFFFAOYSA-N -1 3 393.447 3.348 20 0 GGADHM Cc1ccc2c(c1)N(C(=O)CSCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737379609 598668266 /nfs/dbraw/zinc/66/82/66/598668266.db2.gz ZSXBUEQEUSTXKW-UHFFFAOYSA-N -1 3 379.489 3.388 20 0 GGADHM Cc1ccc2c(c1)N(C(=O)CSCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737379609 598668267 /nfs/dbraw/zinc/66/82/67/598668267.db2.gz ZSXBUEQEUSTXKW-UHFFFAOYSA-N -1 3 379.489 3.388 20 0 GGADHM CC(=O)N1CCCCC[C@H]1C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735464563 598673037 /nfs/dbraw/zinc/67/30/37/598673037.db2.gz BSBZYSHSYXQXDP-SFHVURJKSA-N -1 3 386.475 3.013 20 0 GGADHM Cc1oc(NC(=O)CN(C)[C@@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000822229547 607364212 /nfs/dbraw/zinc/36/42/12/607364212.db2.gz WTJDAGRDICNWTR-AWEZNQCLSA-N -1 3 382.468 3.325 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)n1 ZINC000737245822 598676851 /nfs/dbraw/zinc/67/68/51/598676851.db2.gz PZWFRGQEXNUMIT-CQSZACIVSA-N -1 3 399.449 3.233 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)n1 ZINC000737245822 598676853 /nfs/dbraw/zinc/67/68/53/598676853.db2.gz PZWFRGQEXNUMIT-CQSZACIVSA-N -1 3 399.449 3.233 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@@H]2c2cccc(C)c2)c(-c2nnn[n-]2)c1C ZINC000822299442 607364278 /nfs/dbraw/zinc/36/42/78/607364278.db2.gz JBFASHICGFERKE-MRXNPFEDSA-N -1 3 380.452 3.161 20 0 GGADHM CC(C)N(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000735875156 598683198 /nfs/dbraw/zinc/68/31/98/598683198.db2.gz ZRYIYAKEKAQYIQ-UHFFFAOYSA-N -1 3 396.470 3.257 20 0 GGADHM CC(C)N(Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000735875156 598683200 /nfs/dbraw/zinc/68/32/00/598683200.db2.gz ZRYIYAKEKAQYIQ-UHFFFAOYSA-N -1 3 396.470 3.257 20 0 GGADHM O=C(COC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416408 607364774 /nfs/dbraw/zinc/36/47/74/607364774.db2.gz YGNXEZLFTLYYOI-UHFFFAOYSA-N -1 3 392.415 3.228 20 0 GGADHM O=C(COC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416408 607364776 /nfs/dbraw/zinc/36/47/76/607364776.db2.gz YGNXEZLFTLYYOI-UHFFFAOYSA-N -1 3 392.415 3.228 20 0 GGADHM O=C(COC(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416740 607364813 /nfs/dbraw/zinc/36/48/13/607364813.db2.gz MYZBMJGRDLOHEU-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM O=C(COC(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416740 607364814 /nfs/dbraw/zinc/36/48/14/607364814.db2.gz MYZBMJGRDLOHEU-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000736368070 598690371 /nfs/dbraw/zinc/69/03/71/598690371.db2.gz GBKYCBQLXDRTBE-HNNXBMFYSA-N -1 3 395.847 3.089 20 0 GGADHM Cc1csc(-c2cccc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737449340 598694825 /nfs/dbraw/zinc/69/48/25/598694825.db2.gz VTADTROGNNUISX-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM Cc1csc(-c2cccc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737449340 598694826 /nfs/dbraw/zinc/69/48/26/598694826.db2.gz VTADTROGNNUISX-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM CC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735496188 598695693 /nfs/dbraw/zinc/69/56/93/598695693.db2.gz XKHHFNRPOJKOSO-LBPRGKRZSA-N -1 3 399.451 3.469 20 0 GGADHM CC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735496188 598695695 /nfs/dbraw/zinc/69/56/95/598695695.db2.gz XKHHFNRPOJKOSO-LBPRGKRZSA-N -1 3 399.451 3.469 20 0 GGADHM Cn1cc(-c2nc(CSCc3ccc(F)cc3-c3nnn[n-]3)cs2)cn1 ZINC000737593128 598696834 /nfs/dbraw/zinc/69/68/34/598696834.db2.gz QUUGRTLYXCISHT-UHFFFAOYSA-N -1 3 387.469 3.296 20 0 GGADHM Cn1cc(-c2nc(CSCc3ccc(F)cc3-c3nn[n-]n3)cs2)cn1 ZINC000737593128 598696835 /nfs/dbraw/zinc/69/68/35/598696835.db2.gz QUUGRTLYXCISHT-UHFFFAOYSA-N -1 3 387.469 3.296 20 0 GGADHM C[C@@H](NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736104706 598697587 /nfs/dbraw/zinc/69/75/87/598697587.db2.gz IXAZSJSYIYICCC-LLVKDONJSA-N -1 3 389.431 3.256 20 0 GGADHM C[C@@H](NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736104706 598697588 /nfs/dbraw/zinc/69/75/88/598697588.db2.gz IXAZSJSYIYICCC-LLVKDONJSA-N -1 3 389.431 3.256 20 0 GGADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)Nc1cccc(F)c1 ZINC000737849840 598697602 /nfs/dbraw/zinc/69/76/02/598697602.db2.gz JFUDLHQGWZIVBL-UHFFFAOYSA-N -1 3 375.404 3.407 20 0 GGADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC000737849840 598697603 /nfs/dbraw/zinc/69/76/03/598697603.db2.gz JFUDLHQGWZIVBL-UHFFFAOYSA-N -1 3 375.404 3.407 20 0 GGADHM CCOc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736647999 598697817 /nfs/dbraw/zinc/69/78/17/598697817.db2.gz WFLBAIVXMUESSS-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM CCOc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736647999 598697819 /nfs/dbraw/zinc/69/78/19/598697819.db2.gz WFLBAIVXMUESSS-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N1CCC[C@@H]1C1CC1 ZINC000738208905 598698228 /nfs/dbraw/zinc/69/82/28/598698228.db2.gz OXKLFFYXBYHTBR-MRXNPFEDSA-N -1 3 395.492 3.320 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N1CCC[C@@H]1C1CC1 ZINC000738208905 598698230 /nfs/dbraw/zinc/69/82/30/598698230.db2.gz OXKLFFYXBYHTBR-MRXNPFEDSA-N -1 3 395.492 3.320 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc2c(c1)CCC2 ZINC000737936910 598698567 /nfs/dbraw/zinc/69/85/67/598698567.db2.gz XQDRXYPKRKPPSY-UHFFFAOYSA-N -1 3 383.452 3.366 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc2c(c1)CCC2 ZINC000737936910 598698569 /nfs/dbraw/zinc/69/85/69/598698569.db2.gz XQDRXYPKRKPPSY-UHFFFAOYSA-N -1 3 383.452 3.366 20 0 GGADHM NC(Cc1ccc(Cl)cc1)=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737764954 598700327 /nfs/dbraw/zinc/70/03/27/598700327.db2.gz PLHTYLUDROMKMM-UHFFFAOYSA-N -1 3 386.843 3.030 20 0 GGADHM O=C(NCc1cccc(O)c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738117046 598701063 /nfs/dbraw/zinc/70/10/63/598701063.db2.gz PGQPLXLDGXFIRS-UHFFFAOYSA-N -1 3 387.399 3.295 20 0 GGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1cccc(Cl)c1 ZINC000821164339 607363390 /nfs/dbraw/zinc/36/33/90/607363390.db2.gz CIIXVHXZWMGBJQ-UHFFFAOYSA-N -1 3 388.859 3.191 20 0 GGADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1cccc(Cl)c1 ZINC000821164339 607363392 /nfs/dbraw/zinc/36/33/92/607363392.db2.gz CIIXVHXZWMGBJQ-UHFFFAOYSA-N -1 3 388.859 3.191 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)on2)cc1 ZINC000737289586 598707802 /nfs/dbraw/zinc/70/78/02/598707802.db2.gz VSDIKVDGVQJVCT-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)on2)cc1 ZINC000737289586 598707804 /nfs/dbraw/zinc/70/78/04/598707804.db2.gz VSDIKVDGVQJVCT-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737549450 598707828 /nfs/dbraw/zinc/70/78/28/598707828.db2.gz XFMHNKYYYVXZJK-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737549450 598707830 /nfs/dbraw/zinc/70/78/30/598707830.db2.gz XFMHNKYYYVXZJK-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1sccc1Br ZINC000738236377 598708748 /nfs/dbraw/zinc/70/87/48/598708748.db2.gz WYMGLQLOJKRJOP-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1sccc1Br ZINC000738236377 598708750 /nfs/dbraw/zinc/70/87/50/598708750.db2.gz WYMGLQLOJKRJOP-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737548816 598710793 /nfs/dbraw/zinc/71/07/93/598710793.db2.gz SDTLRGYOTOLZPR-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737548816 598710794 /nfs/dbraw/zinc/71/07/94/598710794.db2.gz SDTLRGYOTOLZPR-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCCC(=O)c1ccccc1 ZINC000737946307 598713984 /nfs/dbraw/zinc/71/39/84/598713984.db2.gz AFIKXERONWPPCK-UHFFFAOYSA-N -1 3 382.445 3.165 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCCC(=O)c1ccccc1 ZINC000737946307 598713986 /nfs/dbraw/zinc/71/39/86/598713986.db2.gz AFIKXERONWPPCK-UHFFFAOYSA-N -1 3 382.445 3.165 20 0 GGADHM CCc1cccc(OCCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736697510 598715416 /nfs/dbraw/zinc/71/54/16/598715416.db2.gz HETFSCIITLGWHM-UHFFFAOYSA-N -1 3 384.461 3.143 20 0 GGADHM CCc1cccc(OCCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736697510 598715418 /nfs/dbraw/zinc/71/54/18/598715418.db2.gz HETFSCIITLGWHM-UHFFFAOYSA-N -1 3 384.461 3.143 20 0 GGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736299107 598715475 /nfs/dbraw/zinc/71/54/75/598715475.db2.gz SFWKTXGTHCSQSN-YVEFUNNKSA-N -1 3 379.468 3.478 20 0 GGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736299107 598715476 /nfs/dbraw/zinc/71/54/76/598715476.db2.gz SFWKTXGTHCSQSN-YVEFUNNKSA-N -1 3 379.468 3.478 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000737064744 598716849 /nfs/dbraw/zinc/71/68/49/598716849.db2.gz YVNGHUUCEMDKOL-UHFFFAOYSA-N -1 3 384.415 3.114 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000737064744 598716851 /nfs/dbraw/zinc/71/68/51/598716851.db2.gz YVNGHUUCEMDKOL-UHFFFAOYSA-N -1 3 384.415 3.114 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114391 598717746 /nfs/dbraw/zinc/71/77/46/598717746.db2.gz CBUQTDTYQIFJJR-GFCCVEGCSA-N -1 3 391.435 3.024 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114391 598717747 /nfs/dbraw/zinc/71/77/47/598717747.db2.gz CBUQTDTYQIFJJR-GFCCVEGCSA-N -1 3 391.435 3.024 20 0 GGADHM Cc1ccccc1C(=O)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737415415 598726267 /nfs/dbraw/zinc/72/62/67/598726267.db2.gz QWLAFXSWLWGDGP-UHFFFAOYSA-N -1 3 394.431 3.150 20 0 GGADHM Cc1ccccc1C(=O)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737415415 598726269 /nfs/dbraw/zinc/72/62/69/598726269.db2.gz QWLAFXSWLWGDGP-UHFFFAOYSA-N -1 3 394.431 3.150 20 0 GGADHM O=C(OCc1nccs1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738244353 598727943 /nfs/dbraw/zinc/72/79/43/598727943.db2.gz GAWSSMTVNIAEMS-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM O=C(OCc1nccs1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738244353 598727944 /nfs/dbraw/zinc/72/79/44/598727944.db2.gz GAWSSMTVNIAEMS-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000736635931 598728987 /nfs/dbraw/zinc/72/89/87/598728987.db2.gz IVEKGVKHELCKKX-KZULUSFZSA-N -1 3 378.436 3.320 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000736635931 598728988 /nfs/dbraw/zinc/72/89/88/598728988.db2.gz IVEKGVKHELCKKX-KZULUSFZSA-N -1 3 378.436 3.320 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CCC2 ZINC000737489539 598731262 /nfs/dbraw/zinc/73/12/62/598731262.db2.gz YSSONYLCZOXHLX-AWEZNQCLSA-N -1 3 387.444 3.312 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CCC2 ZINC000737489539 598731263 /nfs/dbraw/zinc/73/12/63/598731263.db2.gz YSSONYLCZOXHLX-AWEZNQCLSA-N -1 3 387.444 3.312 20 0 GGADHM COC(=O)c1cc(F)ccc1CSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000736949117 598733412 /nfs/dbraw/zinc/73/34/12/598733412.db2.gz CBULXLZQDUPPIQ-UHFFFAOYSA-N -1 3 399.451 3.277 20 0 GGADHM COC(=O)c1cc(F)ccc1CSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000736949117 598733414 /nfs/dbraw/zinc/73/34/14/598733414.db2.gz CBULXLZQDUPPIQ-UHFFFAOYSA-N -1 3 399.451 3.277 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CCc2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000736606143 598734308 /nfs/dbraw/zinc/73/43/08/598734308.db2.gz XQLPHTJYMPUQJY-UHFFFAOYSA-N -1 3 399.476 3.293 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CCc2ccccc2C)c(-c2nn[n-]n2)c1C ZINC000736606143 598734310 /nfs/dbraw/zinc/73/43/10/598734310.db2.gz XQLPHTJYMPUQJY-UHFFFAOYSA-N -1 3 399.476 3.293 20 0 GGADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736252663 598734377 /nfs/dbraw/zinc/73/43/77/598734377.db2.gz QZIZAAJDYHLCLR-KBPBESRZSA-N -1 3 381.436 3.442 20 0 GGADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736252663 598734378 /nfs/dbraw/zinc/73/43/78/598734378.db2.gz QZIZAAJDYHLCLR-KBPBESRZSA-N -1 3 381.436 3.442 20 0 GGADHM CC(C)CCOCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735818682 598734815 /nfs/dbraw/zinc/73/48/15/598734815.db2.gz BLUIIKWTPOIWLF-UHFFFAOYSA-N -1 3 397.435 3.274 20 0 GGADHM CC(C)CCOCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735818682 598734816 /nfs/dbraw/zinc/73/48/16/598734816.db2.gz BLUIIKWTPOIWLF-UHFFFAOYSA-N -1 3 397.435 3.274 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737209136 598735385 /nfs/dbraw/zinc/73/53/85/598735385.db2.gz LDIRBGDEMXBWIF-UHFFFAOYSA-N -1 3 398.810 3.239 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737209136 598735386 /nfs/dbraw/zinc/73/53/86/598735386.db2.gz LDIRBGDEMXBWIF-UHFFFAOYSA-N -1 3 398.810 3.239 20 0 GGADHM CN(CC(F)F)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736787624 598737491 /nfs/dbraw/zinc/73/74/91/598737491.db2.gz DDUKFLPNVZYHLM-UHFFFAOYSA-N -1 3 375.404 3.355 20 0 GGADHM CN(CC(F)F)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736787624 598737492 /nfs/dbraw/zinc/73/74/92/598737492.db2.gz DDUKFLPNVZYHLM-UHFFFAOYSA-N -1 3 375.404 3.355 20 0 GGADHM CC(C)CCSCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735820468 598745231 /nfs/dbraw/zinc/74/52/31/598745231.db2.gz SUWNBKDBZBUDQP-UHFFFAOYSA-N -1 3 389.525 3.016 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nnc(CC2CCCCC2)s1 ZINC000737853820 598749013 /nfs/dbraw/zinc/74/90/13/598749013.db2.gz OAQXTZKELXPZGI-UHFFFAOYSA-N -1 3 397.508 3.412 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(CC2CCCCC2)s1 ZINC000737853820 598749015 /nfs/dbraw/zinc/74/90/15/598749015.db2.gz OAQXTZKELXPZGI-UHFFFAOYSA-N -1 3 397.508 3.412 20 0 GGADHM CCCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736438275 598749657 /nfs/dbraw/zinc/74/96/57/598749657.db2.gz HWPINPXLDFXJBS-NSHDSACASA-N -1 3 391.497 3.258 20 0 GGADHM CCCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736438275 598749659 /nfs/dbraw/zinc/74/96/59/598749659.db2.gz HWPINPXLDFXJBS-NSHDSACASA-N -1 3 391.497 3.258 20 0 GGADHM O=C(c1sccc1C1CC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738288301 598754085 /nfs/dbraw/zinc/75/40/85/598754085.db2.gz BNOBYJFWNGZKAD-UHFFFAOYSA-N -1 3 395.488 3.489 20 0 GGADHM Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737314893 598754946 /nfs/dbraw/zinc/75/49/46/598754946.db2.gz JUFXTQJHCYSTOE-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737314893 598754948 /nfs/dbraw/zinc/75/49/48/598754948.db2.gz JUFXTQJHCYSTOE-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555359 598758773 /nfs/dbraw/zinc/75/87/73/598758773.db2.gz HOTHDIGMTPKRIA-ZDUSSCGKSA-N -1 3 375.436 3.099 20 0 GGADHM CC(C)n1cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736099159 598764132 /nfs/dbraw/zinc/76/41/32/598764132.db2.gz HCOLIYXXWCKAIT-HNNXBMFYSA-N -1 3 397.483 3.071 20 0 GGADHM CC(C)n1cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736099159 598764134 /nfs/dbraw/zinc/76/41/34/598764134.db2.gz HCOLIYXXWCKAIT-HNNXBMFYSA-N -1 3 397.483 3.071 20 0 GGADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735589493 598764205 /nfs/dbraw/zinc/76/42/05/598764205.db2.gz LOMONDZAWSNDJP-AWEZNQCLSA-N -1 3 389.456 3.291 20 0 GGADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735589493 598764206 /nfs/dbraw/zinc/76/42/06/598764206.db2.gz LOMONDZAWSNDJP-AWEZNQCLSA-N -1 3 389.456 3.291 20 0 GGADHM C[C@H](c1nc(C(C)(C)C)no1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736204786 598764747 /nfs/dbraw/zinc/76/47/47/598764747.db2.gz VCBQUZHVOBOTDF-CYBMUJFWSA-N -1 3 397.483 3.152 20 0 GGADHM CCCCc1noc([C@H](C)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000736466477 598764861 /nfs/dbraw/zinc/76/48/61/598764861.db2.gz KIYADMBFFTZSKZ-AWEZNQCLSA-N -1 3 397.483 3.197 20 0 GGADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736668064 598768058 /nfs/dbraw/zinc/76/80/58/598768058.db2.gz XAUDEWFIWWFTFC-GFCCVEGCSA-N -1 3 389.506 3.018 20 0 GGADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736668064 598768060 /nfs/dbraw/zinc/76/80/60/598768060.db2.gz XAUDEWFIWWFTFC-GFCCVEGCSA-N -1 3 389.506 3.018 20 0 GGADHM CCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736668066 598768382 /nfs/dbraw/zinc/76/83/82/598768382.db2.gz XAUDEWFIWWFTFC-LBPRGKRZSA-N -1 3 389.506 3.018 20 0 GGADHM CCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736668066 598768384 /nfs/dbraw/zinc/76/83/84/598768384.db2.gz XAUDEWFIWWFTFC-LBPRGKRZSA-N -1 3 389.506 3.018 20 0 GGADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000737090106 598770637 /nfs/dbraw/zinc/77/06/37/598770637.db2.gz AWTVDIMAWIVWFK-UHFFFAOYSA-N -1 3 382.374 3.338 20 0 GGADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000737090106 598770638 /nfs/dbraw/zinc/77/06/38/598770638.db2.gz AWTVDIMAWIVWFK-UHFFFAOYSA-N -1 3 382.374 3.338 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000737320714 598770936 /nfs/dbraw/zinc/77/09/36/598770936.db2.gz ODNDBJMAIYDLGK-AWEZNQCLSA-N -1 3 396.451 3.082 20 0 GGADHM CCC(=CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736305820 598780180 /nfs/dbraw/zinc/78/01/80/598780180.db2.gz XBVWRMUVJVYDDZ-RHIYTYFCSA-N -1 3 391.431 3.231 20 0 GGADHM CCC(=CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736305820 598780181 /nfs/dbraw/zinc/78/01/81/598780181.db2.gz XBVWRMUVJVYDDZ-RHIYTYFCSA-N -1 3 391.431 3.231 20 0 GGADHM CC[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736332378 598780866 /nfs/dbraw/zinc/78/08/66/598780866.db2.gz MPGOXUDQLMNSPG-GJZGRUSLSA-N -1 3 393.447 3.321 20 0 GGADHM CC[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736332378 598780867 /nfs/dbraw/zinc/78/08/67/598780867.db2.gz MPGOXUDQLMNSPG-GJZGRUSLSA-N -1 3 393.447 3.321 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000737062383 598782692 /nfs/dbraw/zinc/78/26/92/598782692.db2.gz KNHLMDAGUJAQLH-GOSISDBHSA-N -1 3 378.436 3.457 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000737062383 598782693 /nfs/dbraw/zinc/78/26/93/598782693.db2.gz KNHLMDAGUJAQLH-GOSISDBHSA-N -1 3 378.436 3.457 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736269529 598783438 /nfs/dbraw/zinc/78/34/38/598783438.db2.gz HBCPOESEKPRJHA-NVXWUHKLSA-N -1 3 398.511 3.246 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc2nc(C)ccc2o1 ZINC000737026975 598790629 /nfs/dbraw/zinc/79/06/29/598790629.db2.gz VLUDABFKJFOJMO-UHFFFAOYSA-N -1 3 385.767 3.198 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc2nc(C)ccc2o1 ZINC000737026975 598790630 /nfs/dbraw/zinc/79/06/30/598790630.db2.gz VLUDABFKJFOJMO-UHFFFAOYSA-N -1 3 385.767 3.198 20 0 GGADHM Cc1sc(NC(=O)Cc2ccccc2Br)c(-c2nnn[n-]2)c1C ZINC000737560439 598790692 /nfs/dbraw/zinc/79/06/92/598790692.db2.gz AEYKBPPHRVLELX-UHFFFAOYSA-N -1 3 392.282 3.489 20 0 GGADHM Cc1sc(NC(=O)Cc2ccccc2Br)c(-c2nn[n-]n2)c1C ZINC000737560439 598790693 /nfs/dbraw/zinc/79/06/93/598790693.db2.gz AEYKBPPHRVLELX-UHFFFAOYSA-N -1 3 392.282 3.489 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736166124 598791030 /nfs/dbraw/zinc/79/10/30/598791030.db2.gz YVRVLCOCFOKLOQ-BEFAXECRSA-N -1 3 379.464 3.490 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000737059586 598791424 /nfs/dbraw/zinc/79/14/24/598791424.db2.gz XEQVDYFKBVCNEW-UHFFFAOYSA-N -1 3 387.827 3.325 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000737059586 598791426 /nfs/dbraw/zinc/79/14/26/598791426.db2.gz XEQVDYFKBVCNEW-UHFFFAOYSA-N -1 3 387.827 3.325 20 0 GGADHM COc1cc(OC)c(OC)cc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737053101 598791821 /nfs/dbraw/zinc/79/18/21/598791821.db2.gz ZYNYDTQETQNPFD-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1cc(OC)c(OC)cc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737053101 598791823 /nfs/dbraw/zinc/79/18/23/598791823.db2.gz ZYNYDTQETQNPFD-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM Cc1cc(C)n(-c2ccc(CNc3ccc(Cl)cc3-c3nnn[n-]3)cn2)n1 ZINC000737256524 598793023 /nfs/dbraw/zinc/79/30/23/598793023.db2.gz NBRZBVPWVHFIQE-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM Cc1cc(C)n(-c2ccc(CNc3ccc(Cl)cc3-c3nn[n-]n3)cn2)n1 ZINC000737256524 598793024 /nfs/dbraw/zinc/79/30/24/598793024.db2.gz NBRZBVPWVHFIQE-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000736183977 598793670 /nfs/dbraw/zinc/79/36/70/598793670.db2.gz VJFBUIAOPQAVQG-YVEFUNNKSA-N -1 3 399.401 3.276 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000736183977 598793672 /nfs/dbraw/zinc/79/36/72/598793672.db2.gz VJFBUIAOPQAVQG-YVEFUNNKSA-N -1 3 399.401 3.276 20 0 GGADHM CCCCCC(=O)NC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736440581 598794169 /nfs/dbraw/zinc/79/41/69/598794169.db2.gz FEOCNXKZTFJKSK-UHFFFAOYSA-N -1 3 376.892 3.185 20 0 GGADHM CCCCCC(=O)NC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736440581 598794171 /nfs/dbraw/zinc/79/41/71/598794171.db2.gz FEOCNXKZTFJKSK-UHFFFAOYSA-N -1 3 376.892 3.185 20 0 GGADHM O=C(NC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC000738033523 598795553 /nfs/dbraw/zinc/79/55/53/598795553.db2.gz BTCVNJFRFMJNJT-UHFFFAOYSA-N -1 3 388.903 3.185 20 0 GGADHM O=C(NC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC000738033523 598795554 /nfs/dbraw/zinc/79/55/54/598795554.db2.gz BTCVNJFRFMJNJT-UHFFFAOYSA-N -1 3 388.903 3.185 20 0 GGADHM Cc1cc(Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n2ncnc2n1 ZINC000737279444 598796206 /nfs/dbraw/zinc/79/62/06/598796206.db2.gz CSYCHRSFYAQTIN-UHFFFAOYSA-N -1 3 385.391 3.149 20 0 GGADHM Cc1cc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n2ncnc2n1 ZINC000737279444 598796208 /nfs/dbraw/zinc/79/62/08/598796208.db2.gz CSYCHRSFYAQTIN-UHFFFAOYSA-N -1 3 385.391 3.149 20 0 GGADHM C[C@@H](OC(=O)Cc1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000736155460 598798794 /nfs/dbraw/zinc/79/87/94/598798794.db2.gz OEABMRXNTOYOSA-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM C[C@@H](OC(=O)Cc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000736155460 598798795 /nfs/dbraw/zinc/79/87/95/598798795.db2.gz OEABMRXNTOYOSA-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738214982 598799620 /nfs/dbraw/zinc/79/96/20/598799620.db2.gz OOPUMFNRIJUEGU-SFHVURJKSA-N -1 3 375.363 3.347 20 0 GGADHM O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738214982 598799622 /nfs/dbraw/zinc/79/96/22/598799622.db2.gz OOPUMFNRIJUEGU-SFHVURJKSA-N -1 3 375.363 3.347 20 0 GGADHM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736400970 598800392 /nfs/dbraw/zinc/80/03/92/598800392.db2.gz UFOCQNQKSUFSGB-DNVCBOLYSA-N -1 3 398.511 3.388 20 0 GGADHM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736400970 598800393 /nfs/dbraw/zinc/80/03/93/598800393.db2.gz UFOCQNQKSUFSGB-DNVCBOLYSA-N -1 3 398.511 3.388 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000737321353 598801205 /nfs/dbraw/zinc/80/12/05/598801205.db2.gz UNVTWODGLYPCME-AWEZNQCLSA-N -1 3 396.451 3.082 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000737321353 598801207 /nfs/dbraw/zinc/80/12/07/598801207.db2.gz UNVTWODGLYPCME-AWEZNQCLSA-N -1 3 396.451 3.082 20 0 GGADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737859581 598804135 /nfs/dbraw/zinc/80/41/35/598804135.db2.gz FRFLLKWLXHRYSH-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737859581 598804137 /nfs/dbraw/zinc/80/41/37/598804137.db2.gz FRFLLKWLXHRYSH-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737822611 598806700 /nfs/dbraw/zinc/80/67/00/598806700.db2.gz ZWRWXIKOYBMTOY-OAHLLOKOSA-N -1 3 399.458 3.186 20 0 GGADHM Cc1cc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1 ZINC000737238816 598807175 /nfs/dbraw/zinc/80/71/75/598807175.db2.gz USIWKWRKUILOKE-UHFFFAOYSA-N -1 3 396.414 3.161 20 0 GGADHM Cc1ccc2oc(C(=O)Nc3ccnn3-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000737381564 598807570 /nfs/dbraw/zinc/80/75/70/598807570.db2.gz ZYMUKKMGGJSAAG-UHFFFAOYSA-N -1 3 385.387 3.359 20 0 GGADHM O=C(C=Cc1ccc(Cl)s1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737794336 598807901 /nfs/dbraw/zinc/80/79/01/598807901.db2.gz CZSXBPLRBJELRR-VURMDHGXSA-N -1 3 397.851 3.419 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000738194640 598808054 /nfs/dbraw/zinc/80/80/54/598808054.db2.gz GERVJWJZZJLCGM-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735678980 598808287 /nfs/dbraw/zinc/80/82/87/598808287.db2.gz BLHXEFVRCDYUQF-WBVHZDCISA-N -1 3 377.452 3.229 20 0 GGADHM CC[C@H](Cc1ccccc1)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736350169 598808647 /nfs/dbraw/zinc/80/86/47/598808647.db2.gz KIADVFUFRKBLAV-MRXNPFEDSA-N -1 3 387.447 3.260 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)F)c1 ZINC000738195032 598809012 /nfs/dbraw/zinc/80/90/12/598809012.db2.gz KKEJOHVSCCLZCN-UHFFFAOYSA-N -1 3 381.346 3.242 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)Oc1ccccc1-c1nnn[n-]1 ZINC000738329657 598813851 /nfs/dbraw/zinc/81/38/51/598813851.db2.gz JHJOIRFDVWACNH-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)Oc1ccccc1-c1nn[n-]n1 ZINC000738329657 598813853 /nfs/dbraw/zinc/81/38/53/598813853.db2.gz JHJOIRFDVWACNH-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000735625944 598816832 /nfs/dbraw/zinc/81/68/32/598816832.db2.gz IIUAQPIZFONNKS-LBPRGKRZSA-N -1 3 376.436 3.207 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000735625944 598816835 /nfs/dbraw/zinc/81/68/35/598816835.db2.gz IIUAQPIZFONNKS-LBPRGKRZSA-N -1 3 376.436 3.207 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3OCCc4ccccc43)c2c1 ZINC000737643193 598817414 /nfs/dbraw/zinc/81/74/14/598817414.db2.gz CPNMHJGORXXJBN-KRWDZBQOSA-N -1 3 394.385 3.419 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3OCCc4ccccc43)c2c1 ZINC000737643193 598817416 /nfs/dbraw/zinc/81/74/16/598817416.db2.gz CPNMHJGORXXJBN-KRWDZBQOSA-N -1 3 394.385 3.419 20 0 GGADHM Cc1ccccc1-c1csc(=O)n1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737417687 598818858 /nfs/dbraw/zinc/81/88/58/598818858.db2.gz JZNRRKIUZWUKML-UHFFFAOYSA-N -1 3 379.445 3.144 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000737058796 598820751 /nfs/dbraw/zinc/82/07/51/598820751.db2.gz OLNQOSHDNHTZNK-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000737058796 598820753 /nfs/dbraw/zinc/82/07/53/598820753.db2.gz OLNQOSHDNHTZNK-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1N1CCCCC1 ZINC000736817746 598822224 /nfs/dbraw/zinc/82/22/24/598822224.db2.gz IONXIEJKWQGZMB-UHFFFAOYSA-N -1 3 376.464 3.129 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1N1CCCCC1 ZINC000736817746 598822225 /nfs/dbraw/zinc/82/22/25/598822225.db2.gz IONXIEJKWQGZMB-UHFFFAOYSA-N -1 3 376.464 3.129 20 0 GGADHM Cc1nn(C)cc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737278989 598822775 /nfs/dbraw/zinc/82/27/75/598822775.db2.gz GPYVIZAKXPHHHB-UHFFFAOYSA-N -1 3 389.419 3.262 20 0 GGADHM Cc1nn(C)cc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737278989 598822776 /nfs/dbraw/zinc/82/27/76/598822776.db2.gz GPYVIZAKXPHHHB-UHFFFAOYSA-N -1 3 389.419 3.262 20 0 GGADHM O=C(NCc1ccc(Cl)o1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823250395 599295651 /nfs/dbraw/zinc/29/56/51/599295651.db2.gz WWMMPYIKYKTPQW-UHFFFAOYSA-N -1 3 386.721 3.454 20 0 GGADHM O=C(NCc1ccc(Cl)o1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823250395 599295652 /nfs/dbraw/zinc/29/56/52/599295652.db2.gz WWMMPYIKYKTPQW-UHFFFAOYSA-N -1 3 386.721 3.454 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(CC(C)C)c1 ZINC000820087649 599296255 /nfs/dbraw/zinc/29/62/55/599296255.db2.gz VJVBULVWBLAZSL-UHFFFAOYSA-N -1 3 396.499 3.409 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(CC(C)C)c1 ZINC000820087649 599296257 /nfs/dbraw/zinc/29/62/57/599296257.db2.gz VJVBULVWBLAZSL-UHFFFAOYSA-N -1 3 396.499 3.409 20 0 GGADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@H]1CCOC1 ZINC000821572192 599297584 /nfs/dbraw/zinc/29/75/84/599297584.db2.gz VLQOZHKEVZEPQC-ZDUSSCGKSA-N -1 3 398.398 3.051 20 0 GGADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@H]1CCOC1 ZINC000821572192 599297586 /nfs/dbraw/zinc/29/75/86/599297586.db2.gz VLQOZHKEVZEPQC-ZDUSSCGKSA-N -1 3 398.398 3.051 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(Br)c1 ZINC000823257381 599298365 /nfs/dbraw/zinc/29/83/65/599298365.db2.gz KOKAIRUEVPQMHP-UHFFFAOYSA-N -1 3 391.204 3.090 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(Br)c1 ZINC000823257381 599298367 /nfs/dbraw/zinc/29/83/67/599298367.db2.gz KOKAIRUEVPQMHP-UHFFFAOYSA-N -1 3 391.204 3.090 20 0 GGADHM CNc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc(Cl)n1 ZINC000736886271 599302767 /nfs/dbraw/zinc/30/27/67/599302767.db2.gz HDUJHRZZHXKPPD-UHFFFAOYSA-N -1 3 399.886 3.255 20 0 GGADHM CNc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc(Cl)n1 ZINC000736886271 599302770 /nfs/dbraw/zinc/30/27/70/599302770.db2.gz HDUJHRZZHXKPPD-UHFFFAOYSA-N -1 3 399.886 3.255 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000735635380 599322225 /nfs/dbraw/zinc/32/22/25/599322225.db2.gz CNYCNAZGVQFBBY-DGCLKSJQSA-N -1 3 376.436 3.111 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000735635380 599322226 /nfs/dbraw/zinc/32/22/26/599322226.db2.gz CNYCNAZGVQFBBY-DGCLKSJQSA-N -1 3 376.436 3.111 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N(C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000737633754 599323107 /nfs/dbraw/zinc/32/31/07/599323107.db2.gz VUFPXPLDYRZWDY-LBPRGKRZSA-N -1 3 382.390 3.209 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N(C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000737633754 599323110 /nfs/dbraw/zinc/32/31/10/599323110.db2.gz VUFPXPLDYRZWDY-LBPRGKRZSA-N -1 3 382.390 3.209 20 0 GGADHM C[C@H](Nc1ncccc1C(=O)N1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135566 599323529 /nfs/dbraw/zinc/32/35/29/599323529.db2.gz BKGBQZYBDRDWDP-AWEZNQCLSA-N -1 3 377.452 3.061 20 0 GGADHM C[C@H](Nc1ncccc1C(=O)N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135566 599323532 /nfs/dbraw/zinc/32/35/32/599323532.db2.gz BKGBQZYBDRDWDP-AWEZNQCLSA-N -1 3 377.452 3.061 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1C ZINC000822020866 599324047 /nfs/dbraw/zinc/32/40/47/599324047.db2.gz LMYSUONWFFECFO-INIZCTEOSA-N -1 3 399.520 3.448 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1C ZINC000822020866 599324050 /nfs/dbraw/zinc/32/40/50/599324050.db2.gz LMYSUONWFFECFO-INIZCTEOSA-N -1 3 399.520 3.448 20 0 GGADHM Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737390051 599326518 /nfs/dbraw/zinc/32/65/18/599326518.db2.gz RLYJOQJMJOGOAN-AWEZNQCLSA-N -1 3 392.492 3.454 20 0 GGADHM Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737390051 599326521 /nfs/dbraw/zinc/32/65/21/599326521.db2.gz RLYJOQJMJOGOAN-AWEZNQCLSA-N -1 3 392.492 3.454 20 0 GGADHM CCOC(=O)c1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000736603413 599327301 /nfs/dbraw/zinc/32/73/01/599327301.db2.gz OVFSVPVMRKQYTO-UHFFFAOYSA-N -1 3 387.827 3.188 20 0 GGADHM CCOC(=O)c1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000736603413 599327304 /nfs/dbraw/zinc/32/73/04/599327304.db2.gz OVFSVPVMRKQYTO-UHFFFAOYSA-N -1 3 387.827 3.188 20 0 GGADHM FC(F)(F)Cn1ccnc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737626717 599331217 /nfs/dbraw/zinc/33/12/17/599331217.db2.gz KLKDGYLCTLIRGX-UHFFFAOYSA-N -1 3 391.279 3.256 20 0 GGADHM FC(F)(F)Cn1ccnc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737626717 599331220 /nfs/dbraw/zinc/33/12/20/599331220.db2.gz KLKDGYLCTLIRGX-UHFFFAOYSA-N -1 3 391.279 3.256 20 0 GGADHM COc1ccccc1CNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737150693 599331315 /nfs/dbraw/zinc/33/13/15/599331315.db2.gz RVOHKMVBJWPPRC-UONOGXRCSA-N -1 3 397.504 3.374 20 0 GGADHM COc1ccccc1CNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737150693 599331317 /nfs/dbraw/zinc/33/13/17/599331317.db2.gz RVOHKMVBJWPPRC-UONOGXRCSA-N -1 3 397.504 3.374 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118832 599332027 /nfs/dbraw/zinc/33/20/27/599332027.db2.gz PJZYMMCLDBEJPD-RRQGHBQHSA-N -1 3 386.500 3.068 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118832 599332030 /nfs/dbraw/zinc/33/20/30/599332030.db2.gz PJZYMMCLDBEJPD-RRQGHBQHSA-N -1 3 386.500 3.068 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1csc([C@H](C)OC)n1 ZINC000821752360 607369756 /nfs/dbraw/zinc/36/97/56/607369756.db2.gz MAEQANYPFCAVPE-JTQLQIEISA-N -1 3 377.495 3.473 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1csc([C@H](C)OC)n1 ZINC000821752360 607369758 /nfs/dbraw/zinc/36/97/58/607369758.db2.gz MAEQANYPFCAVPE-JTQLQIEISA-N -1 3 377.495 3.473 20 0 GGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC1CCC1 ZINC000738221298 599336577 /nfs/dbraw/zinc/33/65/77/599336577.db2.gz GEAXJGBGHSJYQC-UHFFFAOYSA-N -1 3 380.404 3.034 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccccc1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820451839 599336949 /nfs/dbraw/zinc/33/69/49/599336949.db2.gz XLWXIGGTYNOVKN-ZDUSSCGKSA-N -1 3 385.493 3.204 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccccc1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820451839 599336953 /nfs/dbraw/zinc/33/69/53/599336953.db2.gz XLWXIGGTYNOVKN-ZDUSSCGKSA-N -1 3 385.493 3.204 20 0 GGADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccsc1 ZINC000823599858 599338636 /nfs/dbraw/zinc/33/86/36/599338636.db2.gz AGMBNJCSMSFKPU-CYBMUJFWSA-N -1 3 395.897 3.107 20 0 GGADHM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000822229632 599339066 /nfs/dbraw/zinc/33/90/66/599339066.db2.gz YFNJZSAQAFYSPX-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1sc(NC(=O)Cc2cc(-c3ccccc3)on2)c(-c2nnn[n-]2)c1C ZINC000737562572 599343169 /nfs/dbraw/zinc/34/31/69/599343169.db2.gz KAKAVXPTCQJFLL-UHFFFAOYSA-N -1 3 380.433 3.381 20 0 GGADHM Cc1sc(NC(=O)Cc2cc(-c3ccccc3)on2)c(-c2nn[n-]n2)c1C ZINC000737562572 599343171 /nfs/dbraw/zinc/34/31/71/599343171.db2.gz KAKAVXPTCQJFLL-UHFFFAOYSA-N -1 3 380.433 3.381 20 0 GGADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccccc1F ZINC000820031700 599343305 /nfs/dbraw/zinc/34/33/05/599343305.db2.gz HOTKXLIHPSIJKC-KRWDZBQOSA-N -1 3 385.468 3.439 20 0 GGADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccccc1F ZINC000820031700 599343307 /nfs/dbraw/zinc/34/33/07/599343307.db2.gz HOTKXLIHPSIJKC-KRWDZBQOSA-N -1 3 385.468 3.439 20 0 GGADHM Cc1cc(C)c(CCNC(=O)CSc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000822194313 599347850 /nfs/dbraw/zinc/34/78/50/599347850.db2.gz RMUFYFWSJCHIRX-UHFFFAOYSA-N -1 3 381.505 3.243 20 0 GGADHM Cc1cc(C)c(CCNC(=O)CSc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000822194313 599347851 /nfs/dbraw/zinc/34/78/51/599347851.db2.gz RMUFYFWSJCHIRX-UHFFFAOYSA-N -1 3 381.505 3.243 20 0 GGADHM O=S(=O)(c1ccc(CSc2ccccc2-c2nnn[n-]2)cc1)C(F)F ZINC000823601210 599351643 /nfs/dbraw/zinc/35/16/43/599351643.db2.gz WGVCGTDLNPTBQE-UHFFFAOYSA-N -1 3 382.417 3.155 20 0 GGADHM O=S(=O)(c1ccc(CSc2ccccc2-c2nn[n-]n2)cc1)C(F)F ZINC000823601210 599351646 /nfs/dbraw/zinc/35/16/46/599351646.db2.gz WGVCGTDLNPTBQE-UHFFFAOYSA-N -1 3 382.417 3.155 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000822222427 599352632 /nfs/dbraw/zinc/35/26/32/599352632.db2.gz GKQZLCIROGGMJB-VKJFTORMSA-N -1 3 397.504 3.130 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000822222427 599352634 /nfs/dbraw/zinc/35/26/34/599352634.db2.gz GKQZLCIROGGMJB-VKJFTORMSA-N -1 3 397.504 3.130 20 0 GGADHM CN(C)c1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc2n1 ZINC000821588582 599361033 /nfs/dbraw/zinc/36/10/33/599361033.db2.gz ZDMJXGYJICIPFD-UHFFFAOYSA-N -1 3 380.843 3.141 20 0 GGADHM CN(C)c1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc2n1 ZINC000821588582 599361034 /nfs/dbraw/zinc/36/10/34/599361034.db2.gz ZDMJXGYJICIPFD-UHFFFAOYSA-N -1 3 380.843 3.141 20 0 GGADHM Fc1ccc(OCCNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000737655699 599362078 /nfs/dbraw/zinc/36/20/78/599362078.db2.gz DKMCFLKYZJGDEV-UHFFFAOYSA-N -1 3 378.205 3.259 20 0 GGADHM Fc1ccc(OCCNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000737655699 599362076 /nfs/dbraw/zinc/36/20/76/599362076.db2.gz DKMCFLKYZJGDEV-UHFFFAOYSA-N -1 3 378.205 3.259 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820913153 599362394 /nfs/dbraw/zinc/36/23/94/599362394.db2.gz CTKNJWGTTVUWEL-GOSISDBHSA-N -1 3 399.520 3.207 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820913153 599362397 /nfs/dbraw/zinc/36/23/97/599362397.db2.gz CTKNJWGTTVUWEL-GOSISDBHSA-N -1 3 399.520 3.207 20 0 GGADHM O=C(Nc1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c1)c1ccco1 ZINC000738187220 599364463 /nfs/dbraw/zinc/36/44/63/599364463.db2.gz QTLBENGCJIAORM-UHFFFAOYSA-N -1 3 391.387 3.170 20 0 GGADHM Cn1ccc2ccc(NC(=O)CSCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000737613463 599366669 /nfs/dbraw/zinc/36/66/69/599366669.db2.gz PKHSPNGWMDFTCK-UHFFFAOYSA-N -1 3 378.461 3.230 20 0 GGADHM Cn1ccc2ccc(NC(=O)CSCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737613463 599366672 /nfs/dbraw/zinc/36/66/72/599366672.db2.gz PKHSPNGWMDFTCK-UHFFFAOYSA-N -1 3 378.461 3.230 20 0 GGADHM CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821033705 599369493 /nfs/dbraw/zinc/36/94/93/599369493.db2.gz DRRCCSYBJVMFBU-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821033705 599369496 /nfs/dbraw/zinc/36/94/96/599369496.db2.gz DRRCCSYBJVMFBU-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccc(Cl)cn1 ZINC000738213551 599370713 /nfs/dbraw/zinc/37/07/13/599370713.db2.gz YSPQFUSGFLBJQZ-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccc(Cl)cn1 ZINC000738213551 599370715 /nfs/dbraw/zinc/37/07/15/599370715.db2.gz YSPQFUSGFLBJQZ-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccc(Cl)cn1 ZINC000738211141 599373498 /nfs/dbraw/zinc/37/34/98/599373498.db2.gz ZVZGOMFWGOATGQ-UHFFFAOYSA-N -1 3 397.851 3.215 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccc(Cl)cn1 ZINC000738211141 599373500 /nfs/dbraw/zinc/37/35/00/599373500.db2.gz ZVZGOMFWGOATGQ-UHFFFAOYSA-N -1 3 397.851 3.215 20 0 GGADHM CSCCCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737182498 599378300 /nfs/dbraw/zinc/37/83/00/599378300.db2.gz ORRFYRLSQSOUCI-UHFFFAOYSA-N -1 3 397.504 3.319 20 0 GGADHM CSCCCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737182498 599378304 /nfs/dbraw/zinc/37/83/04/599378304.db2.gz ORRFYRLSQSOUCI-UHFFFAOYSA-N -1 3 397.504 3.319 20 0 GGADHM CC(=O)CCc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000819782502 599381149 /nfs/dbraw/zinc/38/11/49/599381149.db2.gz MLUPZXHNFJEQKJ-UHFFFAOYSA-N -1 3 390.403 3.017 20 0 GGADHM CC(=O)CCc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000819782502 599381151 /nfs/dbraw/zinc/38/11/51/599381151.db2.gz MLUPZXHNFJEQKJ-UHFFFAOYSA-N -1 3 390.403 3.017 20 0 GGADHM COC(=O)[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821641973 599382706 /nfs/dbraw/zinc/38/27/06/599382706.db2.gz BIIBFFVSOFZEAU-VJFUWPCTSA-N -1 3 397.866 3.270 20 0 GGADHM COC(=O)[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821641973 599382707 /nfs/dbraw/zinc/38/27/07/599382707.db2.gz BIIBFFVSOFZEAU-VJFUWPCTSA-N -1 3 397.866 3.270 20 0 GGADHM CCc1ccc([C@@H](C)NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000821483094 599386300 /nfs/dbraw/zinc/38/63/00/599386300.db2.gz XFTFOJRHVGINPG-OAHLLOKOSA-N -1 3 379.464 3.302 20 0 GGADHM CCc1noc(COc2ccc(OCc3ccc(F)cc3-c3nnn[n-]3)cc2)n1 ZINC000821559016 599386581 /nfs/dbraw/zinc/38/65/81/599386581.db2.gz PGRZEIZTJGHFMJ-UHFFFAOYSA-N -1 3 396.382 3.109 20 0 GGADHM CCc1noc(COc2ccc(OCc3ccc(F)cc3-c3nn[n-]n3)cc2)n1 ZINC000821559016 599386584 /nfs/dbraw/zinc/38/65/84/599386584.db2.gz PGRZEIZTJGHFMJ-UHFFFAOYSA-N -1 3 396.382 3.109 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)Nc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000820174596 607373054 /nfs/dbraw/zinc/37/30/54/607373054.db2.gz SRJMXDYHGQYZHG-UHFFFAOYSA-N -1 3 386.843 3.358 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)Nc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000820174596 607373056 /nfs/dbraw/zinc/37/30/56/607373056.db2.gz SRJMXDYHGQYZHG-UHFFFAOYSA-N -1 3 386.843 3.358 20 0 GGADHM CC(C)Oc1ccc(NCc2nc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000820174736 607373176 /nfs/dbraw/zinc/37/31/76/607373176.db2.gz WZTHHULOPPENJE-UHFFFAOYSA-N -1 3 377.408 3.316 20 0 GGADHM CC(C)Oc1ccc(NCc2nc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000820174736 607373177 /nfs/dbraw/zinc/37/31/77/607373177.db2.gz WZTHHULOPPENJE-UHFFFAOYSA-N -1 3 377.408 3.316 20 0 GGADHM C[C@@H](NC(=O)NCCCSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366401 599399331 /nfs/dbraw/zinc/39/93/31/599399331.db2.gz OADBEYDLTKCORG-CQSZACIVSA-N -1 3 382.493 3.409 20 0 GGADHM C[C@@H](NC(=O)NCCCSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366401 599399334 /nfs/dbraw/zinc/39/93/34/599399334.db2.gz OADBEYDLTKCORG-CQSZACIVSA-N -1 3 382.493 3.409 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2c(c1)CCCC2 ZINC000820368314 599401238 /nfs/dbraw/zinc/40/12/38/599401238.db2.gz ZYHMWBSHZLDZCM-CYBMUJFWSA-N -1 3 394.454 3.445 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2c(c1)CCCC2 ZINC000820368314 599401239 /nfs/dbraw/zinc/40/12/39/599401239.db2.gz ZYHMWBSHZLDZCM-CYBMUJFWSA-N -1 3 394.454 3.445 20 0 GGADHM COc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821777394 599402177 /nfs/dbraw/zinc/40/21/77/599402177.db2.gz DXDZSWCSMLNEIA-YJYMSZOUSA-N -1 3 392.463 3.387 20 0 GGADHM COc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821777394 599402179 /nfs/dbraw/zinc/40/21/79/599402179.db2.gz DXDZSWCSMLNEIA-YJYMSZOUSA-N -1 3 392.463 3.387 20 0 GGADHM O[C@H](c1ccccc1)C1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000738389481 599402907 /nfs/dbraw/zinc/40/29/07/599402907.db2.gz YGPRPIHYJWPMSM-OAQYLSRUSA-N -1 3 386.459 3.365 20 0 GGADHM O[C@H](c1ccccc1)C1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000738389481 599402909 /nfs/dbraw/zinc/40/29/09/599402909.db2.gz YGPRPIHYJWPMSM-OAQYLSRUSA-N -1 3 386.459 3.365 20 0 GGADHM Cc1ccc(SCCNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822271347 599403128 /nfs/dbraw/zinc/40/31/28/599403128.db2.gz YAVJGHHZEHWIGR-AWEZNQCLSA-N -1 3 382.493 3.328 20 0 GGADHM Cc1ccc(SCCNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822271347 599403129 /nfs/dbraw/zinc/40/31/29/599403129.db2.gz YAVJGHHZEHWIGR-AWEZNQCLSA-N -1 3 382.493 3.328 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000820173544 607373869 /nfs/dbraw/zinc/37/38/69/607373869.db2.gz HDBYTZHSIQKAMJ-UHFFFAOYSA-N -1 3 386.843 3.358 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000820173544 607373870 /nfs/dbraw/zinc/37/38/70/607373870.db2.gz HDBYTZHSIQKAMJ-UHFFFAOYSA-N -1 3 386.843 3.358 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCC[C@H]2CCC[C@H]21 ZINC000823219911 599405984 /nfs/dbraw/zinc/40/59/84/599405984.db2.gz RWINOSJBGXPKSJ-RHSMWYFYSA-N -1 3 386.525 3.074 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCC[C@H]2CCC[C@H]21 ZINC000823219911 599405987 /nfs/dbraw/zinc/40/59/87/599405987.db2.gz RWINOSJBGXPKSJ-RHSMWYFYSA-N -1 3 386.525 3.074 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357132 599406877 /nfs/dbraw/zinc/40/68/77/599406877.db2.gz FAKJDPCIIYXTOE-GDLCADMTSA-N -1 3 382.390 3.348 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357132 599406879 /nfs/dbraw/zinc/40/68/79/599406879.db2.gz FAKJDPCIIYXTOE-GDLCADMTSA-N -1 3 382.390 3.348 20 0 GGADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)s1 ZINC000820366912 599406902 /nfs/dbraw/zinc/40/69/02/599406902.db2.gz PNYREFRMHBGORN-QMMMGPOBSA-N -1 3 380.836 3.281 20 0 GGADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)s1 ZINC000820366912 599406903 /nfs/dbraw/zinc/40/69/03/599406903.db2.gz PNYREFRMHBGORN-QMMMGPOBSA-N -1 3 380.836 3.281 20 0 GGADHM CCN(Cc1ccccc1)C(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821222641 607374402 /nfs/dbraw/zinc/37/44/02/607374402.db2.gz VWLQHHOOOUBODL-UHFFFAOYSA-N -1 3 394.479 3.115 20 0 GGADHM CCN(Cc1ccccc1)C(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821222641 607374404 /nfs/dbraw/zinc/37/44/04/607374404.db2.gz VWLQHHOOOUBODL-UHFFFAOYSA-N -1 3 394.479 3.115 20 0 GGADHM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821020754 599409139 /nfs/dbraw/zinc/40/91/39/599409139.db2.gz HJSBHZZVCDOKGU-IBGZPJMESA-N -1 3 378.480 3.467 20 0 GGADHM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821020754 599409141 /nfs/dbraw/zinc/40/91/41/599409141.db2.gz HJSBHZZVCDOKGU-IBGZPJMESA-N -1 3 378.480 3.467 20 0 GGADHM c1nn(Cc2ccccc2)cc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738433632 599410933 /nfs/dbraw/zinc/41/09/33/599410933.db2.gz VAIJFUNJULFULQ-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM c1nn(Cc2ccccc2)cc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738433632 599410934 /nfs/dbraw/zinc/41/09/34/599410934.db2.gz VAIJFUNJULFULQ-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM CCC(CC)C(=O)N1CCC(Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000736337530 599413539 /nfs/dbraw/zinc/41/35/39/599413539.db2.gz KHOCPHYLGHEMAG-UHFFFAOYSA-N -1 3 393.495 3.254 20 0 GGADHM CCC(CC)C(=O)N1CCC(Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000736337530 599413541 /nfs/dbraw/zinc/41/35/41/599413541.db2.gz KHOCPHYLGHEMAG-UHFFFAOYSA-N -1 3 393.495 3.254 20 0 GGADHM CC[C@@H](CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825082809 607374989 /nfs/dbraw/zinc/37/49/89/607374989.db2.gz VZKRMDUZBLYKEL-HNNXBMFYSA-N -1 3 378.432 3.485 20 0 GGADHM CC[C@@H](CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825082809 607374990 /nfs/dbraw/zinc/37/49/90/607374990.db2.gz VZKRMDUZBLYKEL-HNNXBMFYSA-N -1 3 378.432 3.485 20 0 GGADHM Cc1cccc2c(CCC(=O)OCC(=O)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000826304820 607375389 /nfs/dbraw/zinc/37/53/89/607375389.db2.gz ZTSDQSRENMWPSO-UHFFFAOYSA-N -1 3 389.415 3.015 20 0 GGADHM Cc1cccc2c(CCC(=O)OCC(=O)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000826304820 607375390 /nfs/dbraw/zinc/37/53/90/607375390.db2.gz ZTSDQSRENMWPSO-UHFFFAOYSA-N -1 3 389.415 3.015 20 0 GGADHM COc1ccc(OC)c(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737107684 599416637 /nfs/dbraw/zinc/41/66/37/599416637.db2.gz FRZFHVVKQYKNGN-UHFFFAOYSA-N -1 3 376.420 3.087 20 0 GGADHM COc1ccc(OC)c(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737107684 599416642 /nfs/dbraw/zinc/41/66/42/599416642.db2.gz FRZFHVVKQYKNGN-UHFFFAOYSA-N -1 3 376.420 3.087 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821505475 599417196 /nfs/dbraw/zinc/41/71/96/599417196.db2.gz QVJGZCLVFBYDSF-LBPRGKRZSA-N -1 3 385.497 3.097 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821505475 599417197 /nfs/dbraw/zinc/41/71/97/599417197.db2.gz QVJGZCLVFBYDSF-LBPRGKRZSA-N -1 3 385.497 3.097 20 0 GGADHM Cc1ccc(C(C)(C)CN(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822227590 599418198 /nfs/dbraw/zinc/41/81/98/599418198.db2.gz OJXJNXPZBYOUIX-UHFFFAOYSA-N -1 3 378.480 3.294 20 0 GGADHM Cc1ccc(C(C)(C)CN(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822227590 599418200 /nfs/dbraw/zinc/41/82/00/599418200.db2.gz OJXJNXPZBYOUIX-UHFFFAOYSA-N -1 3 378.480 3.294 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC1CC(c2cccc(Cl)c2)C1 ZINC000823257301 599418459 /nfs/dbraw/zinc/41/84/59/599418459.db2.gz HODDADNFVOUWPX-UHFFFAOYSA-N -1 3 382.855 3.266 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC1CC(c2cccc(Cl)c2)C1 ZINC000823257301 599418461 /nfs/dbraw/zinc/41/84/61/599418461.db2.gz HODDADNFVOUWPX-UHFFFAOYSA-N -1 3 382.855 3.266 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000824141748 607375924 /nfs/dbraw/zinc/37/59/24/607375924.db2.gz MYUVDBMKRIMVGB-FPLPWBNLSA-N -1 3 397.460 3.060 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000824141748 607375926 /nfs/dbraw/zinc/37/59/26/607375926.db2.gz MYUVDBMKRIMVGB-FPLPWBNLSA-N -1 3 397.460 3.060 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736425217 599421851 /nfs/dbraw/zinc/42/18/51/599421851.db2.gz TYIVIQXYEYQNFK-STQMWFEESA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736425217 599421852 /nfs/dbraw/zinc/42/18/52/599421852.db2.gz TYIVIQXYEYQNFK-STQMWFEESA-N -1 3 376.892 3.041 20 0 GGADHM COc1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821804572 599422173 /nfs/dbraw/zinc/42/21/73/599422173.db2.gz NWSPXNPEKWUZCG-KRWDZBQOSA-N -1 3 378.461 3.211 20 0 GGADHM COc1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821804572 599422176 /nfs/dbraw/zinc/42/21/76/599422176.db2.gz NWSPXNPEKWUZCG-KRWDZBQOSA-N -1 3 378.461 3.211 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824412874 607376224 /nfs/dbraw/zinc/37/62/24/607376224.db2.gz GYVLXZILMJGRCL-ZDUSSCGKSA-N -1 3 382.395 3.001 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824412874 607376226 /nfs/dbraw/zinc/37/62/26/607376226.db2.gz GYVLXZILMJGRCL-ZDUSSCGKSA-N -1 3 382.395 3.001 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790283 599425615 /nfs/dbraw/zinc/42/56/15/599425615.db2.gz MGAWRWFFHYAIMT-HUUCEWRRSA-N -1 3 394.479 3.257 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790283 599425617 /nfs/dbraw/zinc/42/56/17/599425617.db2.gz MGAWRWFFHYAIMT-HUUCEWRRSA-N -1 3 394.479 3.257 20 0 GGADHM O=C(COC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416134 607377262 /nfs/dbraw/zinc/37/72/62/607377262.db2.gz JWIYYMQWBSKMSM-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM O=C(COC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416134 607377263 /nfs/dbraw/zinc/37/72/63/607377263.db2.gz JWIYYMQWBSKMSM-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccccc1C(=O)N1CCCCC1 ZINC000821749801 607377479 /nfs/dbraw/zinc/37/74/79/607377479.db2.gz YRHJUCZOSXPIQZ-UHFFFAOYSA-N -1 3 393.447 3.080 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccccc1C(=O)N1CCCCC1 ZINC000821749801 607377481 /nfs/dbraw/zinc/37/74/81/607377481.db2.gz YRHJUCZOSXPIQZ-UHFFFAOYSA-N -1 3 393.447 3.080 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821020365 599434440 /nfs/dbraw/zinc/43/44/40/599434440.db2.gz BPQVISPBKSRCDM-KRWDZBQOSA-N -1 3 382.443 3.216 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821020365 599434442 /nfs/dbraw/zinc/43/44/42/599434442.db2.gz BPQVISPBKSRCDM-KRWDZBQOSA-N -1 3 382.443 3.216 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000821752656 607378037 /nfs/dbraw/zinc/37/80/37/607378037.db2.gz PKESQGPENPNLCD-UHFFFAOYSA-N -1 3 399.505 3.371 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000821752656 607378039 /nfs/dbraw/zinc/37/80/39/607378039.db2.gz PKESQGPENPNLCD-UHFFFAOYSA-N -1 3 399.505 3.371 20 0 GGADHM O=C1[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCN1c1ccccc1 ZINC000738296178 599439704 /nfs/dbraw/zinc/43/97/04/599439704.db2.gz KSAUSGKEUDHMNF-GOSISDBHSA-N -1 3 385.431 3.022 20 0 GGADHM O=C1[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCN1c1ccccc1 ZINC000738296178 599439706 /nfs/dbraw/zinc/43/97/06/599439706.db2.gz KSAUSGKEUDHMNF-GOSISDBHSA-N -1 3 385.431 3.022 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncccc1Br ZINC000821752686 607378881 /nfs/dbraw/zinc/37/88/81/607378881.db2.gz RCKVCVNEAFUYBQ-UHFFFAOYSA-N -1 3 378.255 3.325 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000819975795 607379597 /nfs/dbraw/zinc/37/95/97/607379597.db2.gz CZAGQOUILMJDBW-CGTJXYLNSA-N -1 3 391.479 3.273 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000819975795 607379599 /nfs/dbraw/zinc/37/95/99/607379599.db2.gz CZAGQOUILMJDBW-CGTJXYLNSA-N -1 3 391.479 3.273 20 0 GGADHM Cc1c(CSC(C)C)cccc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822035337 599449726 /nfs/dbraw/zinc/44/97/26/599449726.db2.gz SVRCAVWPVJQVER-AWEZNQCLSA-N -1 3 398.540 3.167 20 0 GGADHM Cc1c(CSC(C)C)cccc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822035337 599449729 /nfs/dbraw/zinc/44/97/29/599449729.db2.gz SVRCAVWPVJQVER-AWEZNQCLSA-N -1 3 398.540 3.167 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736134918 599451673 /nfs/dbraw/zinc/45/16/73/599451673.db2.gz WGOUJUHECIEQHY-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736134918 599451676 /nfs/dbraw/zinc/45/16/76/599451676.db2.gz WGOUJUHECIEQHY-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM Cc1ccc(-c2cncc(C(=O)OCC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000826273827 607379850 /nfs/dbraw/zinc/37/98/50/607379850.db2.gz WGVWGAPVRJCCBP-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM Cc1ccc(-c2cncc(C(=O)OCC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826273827 607379852 /nfs/dbraw/zinc/37/98/52/607379852.db2.gz WGVWGAPVRJCCBP-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Cl ZINC000736117303 599453018 /nfs/dbraw/zinc/45/30/18/599453018.db2.gz JEWOYVGUIYRSFO-VIFPVBQESA-N -1 3 392.797 3.359 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000736117303 599453020 /nfs/dbraw/zinc/45/30/20/599453020.db2.gz JEWOYVGUIYRSFO-VIFPVBQESA-N -1 3 392.797 3.359 20 0 GGADHM CCOc1cc(CCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000736624579 599454074 /nfs/dbraw/zinc/45/40/74/599454074.db2.gz DZZZAURVIDQVFV-UHFFFAOYSA-N -1 3 396.451 3.028 20 0 GGADHM CCOc1cc(CCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC000736624579 599454076 /nfs/dbraw/zinc/45/40/76/599454076.db2.gz DZZZAURVIDQVFV-UHFFFAOYSA-N -1 3 396.451 3.028 20 0 GGADHM O=C(COC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826416094 607380052 /nfs/dbraw/zinc/38/00/52/607380052.db2.gz IBFFLBVEIHDJKF-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM O=C(COC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826416094 607380053 /nfs/dbraw/zinc/38/00/53/607380053.db2.gz IBFFLBVEIHDJKF-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822196636 599456558 /nfs/dbraw/zinc/45/65/58/599456558.db2.gz QTHSBVLJMYMDAU-AWEZNQCLSA-N -1 3 382.443 3.053 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822196636 599456560 /nfs/dbraw/zinc/45/65/60/599456560.db2.gz QTHSBVLJMYMDAU-AWEZNQCLSA-N -1 3 382.443 3.053 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196362 599456570 /nfs/dbraw/zinc/45/65/70/599456570.db2.gz GSEQQPZNFBLAAA-HOTGVXAUSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196362 599456571 /nfs/dbraw/zinc/45/65/71/599456571.db2.gz GSEQQPZNFBLAAA-HOTGVXAUSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822362130 599457010 /nfs/dbraw/zinc/45/70/10/599457010.db2.gz MUKPXDFAASHHLT-LSDHHAIUSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822362130 599457013 /nfs/dbraw/zinc/45/70/13/599457013.db2.gz MUKPXDFAASHHLT-LSDHHAIUSA-N -1 3 380.452 3.003 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(Oc2nccs2)c1 ZINC000737026626 599465715 /nfs/dbraw/zinc/46/57/15/599465715.db2.gz YVCDDZRADSCLQM-UHFFFAOYSA-N -1 3 395.400 3.343 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(Oc2nccs2)c1 ZINC000737026626 599465718 /nfs/dbraw/zinc/46/57/18/599465718.db2.gz YVCDDZRADSCLQM-UHFFFAOYSA-N -1 3 395.400 3.343 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736166855 599467868 /nfs/dbraw/zinc/46/78/68/599467868.db2.gz CRMRYIALGAWESF-GRDNDAEWSA-N -1 3 395.438 3.178 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000736165197 599468073 /nfs/dbraw/zinc/46/80/73/599468073.db2.gz SVBYBLYWGSEJDF-UONOGXRCSA-N -1 3 399.882 3.377 20 0 GGADHM C[C@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352583 599470613 /nfs/dbraw/zinc/47/06/13/599470613.db2.gz WJBQVOKGUBTXII-KXBFYZLASA-N -1 3 392.463 3.101 20 0 GGADHM C[C@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352583 599470615 /nfs/dbraw/zinc/47/06/15/599470615.db2.gz WJBQVOKGUBTXII-KXBFYZLASA-N -1 3 392.463 3.101 20 0 GGADHM COCCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000821688308 599472416 /nfs/dbraw/zinc/47/24/16/599472416.db2.gz GJDXKDSLFKKVCX-HZPDHXFCSA-N -1 3 394.479 3.347 20 0 GGADHM COCCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000821688308 599472419 /nfs/dbraw/zinc/47/24/19/599472419.db2.gz GJDXKDSLFKKVCX-HZPDHXFCSA-N -1 3 394.479 3.347 20 0 GGADHM CCCCCNC(=O)C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000821055869 599473708 /nfs/dbraw/zinc/47/37/08/599473708.db2.gz ILBULOHTUHTANN-UHFFFAOYSA-N -1 3 376.892 3.043 20 0 GGADHM CCCCCNC(=O)C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000821055869 599473709 /nfs/dbraw/zinc/47/37/09/599473709.db2.gz ILBULOHTUHTANN-UHFFFAOYSA-N -1 3 376.892 3.043 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348124 599477527 /nfs/dbraw/zinc/47/75/27/599477527.db2.gz ACWSULYGNMMVPC-IFXJQAMLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348124 599477531 /nfs/dbraw/zinc/47/75/31/599477531.db2.gz ACWSULYGNMMVPC-IFXJQAMLSA-N -1 3 394.454 3.484 20 0 GGADHM COc1cc(C)c([C@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1OC ZINC000821708734 599477689 /nfs/dbraw/zinc/47/76/89/599477689.db2.gz YBSBAWYTNVIOKP-ZDUSSCGKSA-N -1 3 390.447 3.336 20 0 GGADHM COc1cc(C)c([C@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1OC ZINC000821708734 599477690 /nfs/dbraw/zinc/47/76/90/599477690.db2.gz YBSBAWYTNVIOKP-ZDUSSCGKSA-N -1 3 390.447 3.336 20 0 GGADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357542 599478511 /nfs/dbraw/zinc/47/85/11/599478511.db2.gz HNYODEUYNSLUNR-FOIQADDNSA-N -1 3 399.458 3.412 20 0 GGADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357542 599478514 /nfs/dbraw/zinc/47/85/14/599478514.db2.gz HNYODEUYNSLUNR-FOIQADDNSA-N -1 3 399.458 3.412 20 0 GGADHM Cc1oc(NC(=O)CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737553967 599478571 /nfs/dbraw/zinc/47/85/71/599478571.db2.gz YQZVOXWCHZONOO-IAQYHMDHSA-N -1 3 398.442 3.032 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822427076 599479825 /nfs/dbraw/zinc/47/98/25/599479825.db2.gz CAGLKLGBXKRGSD-CMPLNLGQSA-N -1 3 385.497 3.404 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822427076 599479828 /nfs/dbraw/zinc/47/98/28/599479828.db2.gz CAGLKLGBXKRGSD-CMPLNLGQSA-N -1 3 385.497 3.404 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340897 599480386 /nfs/dbraw/zinc/48/03/86/599480386.db2.gz NNLJGKVCQYLULO-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340897 599480388 /nfs/dbraw/zinc/48/03/88/599480388.db2.gz NNLJGKVCQYLULO-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM COc1ccc(Cl)cc1CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000821827437 599480701 /nfs/dbraw/zinc/48/07/01/599480701.db2.gz ALLWFGSMJZQKIK-UHFFFAOYSA-N -1 3 380.839 3.419 20 0 GGADHM COc1ccc(Cl)cc1CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000821827437 599480704 /nfs/dbraw/zinc/48/07/04/599480704.db2.gz ALLWFGSMJZQKIK-UHFFFAOYSA-N -1 3 380.839 3.419 20 0 GGADHM COc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821772708 599482121 /nfs/dbraw/zinc/48/21/21/599482121.db2.gz MOHBDZCENMXSDJ-CQSZACIVSA-N -1 3 394.479 3.213 20 0 GGADHM COc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821772708 599482122 /nfs/dbraw/zinc/48/21/22/599482122.db2.gz MOHBDZCENMXSDJ-CQSZACIVSA-N -1 3 394.479 3.213 20 0 GGADHM COc1ccc(Br)c(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821770787 599482955 /nfs/dbraw/zinc/48/29/55/599482955.db2.gz WPWCTVXMUCGVFK-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(Br)c(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821770787 599482956 /nfs/dbraw/zinc/48/29/56/599482956.db2.gz WPWCTVXMUCGVFK-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821889853 599485035 /nfs/dbraw/zinc/48/50/35/599485035.db2.gz GVQWQFQUQKRGLJ-RDTXWAMCSA-N -1 3 392.463 3.483 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821889853 599485038 /nfs/dbraw/zinc/48/50/38/599485038.db2.gz GVQWQFQUQKRGLJ-RDTXWAMCSA-N -1 3 392.463 3.483 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820734428 599485438 /nfs/dbraw/zinc/48/54/38/599485438.db2.gz NAUUBUQYSZETLI-CLCXKQKWSA-N -1 3 392.463 3.099 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820734428 599485440 /nfs/dbraw/zinc/48/54/40/599485440.db2.gz NAUUBUQYSZETLI-CLCXKQKWSA-N -1 3 392.463 3.099 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cccc(F)c2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351422 599485903 /nfs/dbraw/zinc/48/59/03/599485903.db2.gz OOQOANXSFYTSRV-OLZOCXBDSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cccc(F)c2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351422 599485905 /nfs/dbraw/zinc/48/59/05/599485905.db2.gz OOQOANXSFYTSRV-OLZOCXBDSA-N -1 3 380.427 3.396 20 0 GGADHM Cn1nccc1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000822708639 599488784 /nfs/dbraw/zinc/48/87/84/599488784.db2.gz AGLGXCQNBUSZDP-NSHDSACASA-N -1 3 377.374 3.003 20 0 GGADHM Cn1nccc1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000822708639 599488786 /nfs/dbraw/zinc/48/87/86/599488786.db2.gz AGLGXCQNBUSZDP-NSHDSACASA-N -1 3 377.374 3.003 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736058019 599492298 /nfs/dbraw/zinc/49/22/98/599492298.db2.gz YYFWBEUAFVNFNF-CYBMUJFWSA-N -1 3 384.871 3.293 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736058019 599492301 /nfs/dbraw/zinc/49/23/01/599492301.db2.gz YYFWBEUAFVNFNF-CYBMUJFWSA-N -1 3 384.871 3.293 20 0 GGADHM Fc1ccc2c(c1)CC[C@@H]2Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000822787359 599494367 /nfs/dbraw/zinc/49/43/67/599494367.db2.gz ZSKUJPWZXOXIFS-HNNXBMFYSA-N -1 3 382.349 3.354 20 0 GGADHM Fc1ccc2c(c1)CC[C@@H]2Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000822787359 599494368 /nfs/dbraw/zinc/49/43/68/599494368.db2.gz ZSKUJPWZXOXIFS-HNNXBMFYSA-N -1 3 382.349 3.354 20 0 GGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1nc2ccccc2[nH]1 ZINC000820450528 599494712 /nfs/dbraw/zinc/49/47/12/599494712.db2.gz LSLFFXDAQFNAEM-SECBINFHSA-N -1 3 392.373 3.164 20 0 GGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)c1nc2ccccc2[nH]1 ZINC000820450528 599494715 /nfs/dbraw/zinc/49/47/15/599494715.db2.gz LSLFFXDAQFNAEM-SECBINFHSA-N -1 3 392.373 3.164 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000821400493 599494918 /nfs/dbraw/zinc/49/49/18/599494918.db2.gz KVZJQDXPSRTTTE-IERDGZPVSA-N -1 3 375.432 3.108 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000821400493 599494919 /nfs/dbraw/zinc/49/49/19/599494919.db2.gz KVZJQDXPSRTTTE-IERDGZPVSA-N -1 3 375.432 3.108 20 0 GGADHM CCO[C@H](C)c1nc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000736614630 599496451 /nfs/dbraw/zinc/49/64/51/599496451.db2.gz HUSDZCSSNOATMU-JLVNDZCYSA-N -1 3 385.449 3.177 20 0 GGADHM CCO[C@H](C)c1nc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000736614630 599496454 /nfs/dbraw/zinc/49/64/54/599496454.db2.gz HUSDZCSSNOATMU-JLVNDZCYSA-N -1 3 385.449 3.177 20 0 GGADHM CCO[C@H](C)c1nc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736618552 599496836 /nfs/dbraw/zinc/49/68/36/599496836.db2.gz VDKSQCWOTKDKBQ-GFCCVEGCSA-N -1 3 387.465 3.097 20 0 GGADHM CCO[C@H](C)c1nc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736618552 599496838 /nfs/dbraw/zinc/49/68/38/599496838.db2.gz VDKSQCWOTKDKBQ-GFCCVEGCSA-N -1 3 387.465 3.097 20 0 GGADHM CC(C)(C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735581752 599498311 /nfs/dbraw/zinc/49/83/11/599498311.db2.gz BVNIEVONNFSXEG-UHFFFAOYSA-N -1 3 386.839 3.420 20 0 GGADHM Cn1nccc1C1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000822709152 599513443 /nfs/dbraw/zinc/51/34/43/599513443.db2.gz HHBZTYVKIMOMBW-UHFFFAOYSA-N -1 3 394.870 3.186 20 0 GGADHM Cn1nccc1C1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000822709152 599513444 /nfs/dbraw/zinc/51/34/44/599513444.db2.gz HHBZTYVKIMOMBW-UHFFFAOYSA-N -1 3 394.870 3.186 20 0 GGADHM COc1ccc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000821782714 599515238 /nfs/dbraw/zinc/51/52/38/599515238.db2.gz LJXWHLUSKSZPND-CQSZACIVSA-N -1 3 377.448 3.174 20 0 GGADHM COc1ccc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000821782714 599515239 /nfs/dbraw/zinc/51/52/39/599515239.db2.gz LJXWHLUSKSZPND-CQSZACIVSA-N -1 3 377.448 3.174 20 0 GGADHM C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820385181 599516843 /nfs/dbraw/zinc/51/68/43/599516843.db2.gz QNELQEHQSAVTPG-GFCCVEGCSA-N -1 3 376.395 3.492 20 0 GGADHM C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820385181 599516846 /nfs/dbraw/zinc/51/68/46/599516846.db2.gz QNELQEHQSAVTPG-GFCCVEGCSA-N -1 3 376.395 3.492 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCc1csc(C(C)C)n1 ZINC000822336091 599517261 /nfs/dbraw/zinc/51/72/61/599517261.db2.gz OHTFYHSFIXAZHL-UHFFFAOYSA-N -1 3 379.493 3.380 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCc1csc(C(C)C)n1 ZINC000822336091 599517262 /nfs/dbraw/zinc/51/72/62/599517262.db2.gz OHTFYHSFIXAZHL-UHFFFAOYSA-N -1 3 379.493 3.380 20 0 GGADHM CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000820211297 599521281 /nfs/dbraw/zinc/52/12/81/599521281.db2.gz HDJAXMNSUNDEEF-NSHDSACASA-N -1 3 377.408 3.017 20 0 GGADHM CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000820211297 599521283 /nfs/dbraw/zinc/52/12/83/599521283.db2.gz HDJAXMNSUNDEEF-NSHDSACASA-N -1 3 377.408 3.017 20 0 GGADHM CC(C)c1nnc2n1C[C@H](Nc1ccc(-c3nn[n-]n3)cc1C(F)(F)F)CC2 ZINC000735952364 599522078 /nfs/dbraw/zinc/52/20/78/599522078.db2.gz DRIKDVLMLISRBK-LLVKDONJSA-N -1 3 392.389 3.027 20 0 GGADHM O=C(CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)N1CCCCCC1 ZINC000737847758 599523575 /nfs/dbraw/zinc/52/35/75/599523575.db2.gz LTHLOIBUKFCNMI-UHFFFAOYSA-N -1 3 382.390 3.090 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820536436 599532196 /nfs/dbraw/zinc/53/21/96/599532196.db2.gz UACNEFOOHPFREF-KGLIPLIRSA-N -1 3 377.448 3.000 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820536436 599532198 /nfs/dbraw/zinc/53/21/98/599532198.db2.gz UACNEFOOHPFREF-KGLIPLIRSA-N -1 3 377.448 3.000 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390811 599538748 /nfs/dbraw/zinc/53/87/48/599538748.db2.gz LFSROORKEJQWGJ-LLVKDONJSA-N -1 3 399.838 3.172 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390811 599538750 /nfs/dbraw/zinc/53/87/50/599538750.db2.gz LFSROORKEJQWGJ-LLVKDONJSA-N -1 3 399.838 3.172 20 0 GGADHM C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390813 599538790 /nfs/dbraw/zinc/53/87/90/599538790.db2.gz LFSROORKEJQWGJ-NSHDSACASA-N -1 3 399.838 3.172 20 0 GGADHM C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390813 599538793 /nfs/dbraw/zinc/53/87/93/599538793.db2.gz LFSROORKEJQWGJ-NSHDSACASA-N -1 3 399.838 3.172 20 0 GGADHM C[C@H](NC(=O)c1cccnc1SC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397710 599540166 /nfs/dbraw/zinc/54/01/66/599540166.db2.gz RJDRYGHZAGCGIV-VIFPVBQESA-N -1 3 376.392 3.067 20 0 GGADHM C[C@H](NC(=O)c1cccnc1SC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397710 599540168 /nfs/dbraw/zinc/54/01/68/599540168.db2.gz RJDRYGHZAGCGIV-VIFPVBQESA-N -1 3 376.392 3.067 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000606368459 599541357 /nfs/dbraw/zinc/54/13/57/599541357.db2.gz UILXBXFBLBYYFU-LBPRGKRZSA-N -1 3 389.381 3.381 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000606368459 599541359 /nfs/dbraw/zinc/54/13/59/599541359.db2.gz UILXBXFBLBYYFU-LBPRGKRZSA-N -1 3 389.381 3.381 20 0 GGADHM C[C@H](Cc1ccccc1F)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736059892 599542199 /nfs/dbraw/zinc/54/21/99/599542199.db2.gz XRNHCQGSOHEWBA-CQSZACIVSA-N -1 3 399.495 3.234 20 0 GGADHM C[C@H](Cc1ccccc1F)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736059892 599542203 /nfs/dbraw/zinc/54/22/03/599542203.db2.gz XRNHCQGSOHEWBA-CQSZACIVSA-N -1 3 399.495 3.234 20 0 GGADHM COc1cc(C2(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCC2)ccc1C ZINC000821711944 599542704 /nfs/dbraw/zinc/54/27/04/599542704.db2.gz BLLKZMIIEVSDPJ-HNNXBMFYSA-N -1 3 391.475 3.483 20 0 GGADHM COc1cc(C2(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCC2)ccc1C ZINC000821711944 599542706 /nfs/dbraw/zinc/54/27/06/599542706.db2.gz BLLKZMIIEVSDPJ-HNNXBMFYSA-N -1 3 391.475 3.483 20 0 GGADHM CCCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)cn1 ZINC000821133695 599543976 /nfs/dbraw/zinc/54/39/76/599543976.db2.gz DZIWJBHUVRBGKA-UHFFFAOYSA-N -1 3 393.426 3.080 20 0 GGADHM CCCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)cn1 ZINC000821133695 599543977 /nfs/dbraw/zinc/54/39/77/599543977.db2.gz DZIWJBHUVRBGKA-UHFFFAOYSA-N -1 3 393.426 3.080 20 0 GGADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736059888 599544000 /nfs/dbraw/zinc/54/40/00/599544000.db2.gz XPSSYVKGYIKJCY-SNVBAGLBSA-N -1 3 376.342 3.098 20 0 GGADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736059888 599544002 /nfs/dbraw/zinc/54/40/02/599544002.db2.gz XPSSYVKGYIKJCY-SNVBAGLBSA-N -1 3 376.342 3.098 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384379 599544686 /nfs/dbraw/zinc/54/46/86/599544686.db2.gz CTEZPQQHWUSBDC-LLVKDONJSA-N -1 3 393.838 3.401 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384379 599544688 /nfs/dbraw/zinc/54/46/88/599544688.db2.gz CTEZPQQHWUSBDC-LLVKDONJSA-N -1 3 393.838 3.401 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)s1 ZINC000736679511 599544871 /nfs/dbraw/zinc/54/48/71/599544871.db2.gz WDWYEYIRIGYQKN-UHFFFAOYSA-N -1 3 384.396 3.136 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)s1 ZINC000736679511 599544873 /nfs/dbraw/zinc/54/48/73/599544873.db2.gz WDWYEYIRIGYQKN-UHFFFAOYSA-N -1 3 384.396 3.136 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822486826 599545058 /nfs/dbraw/zinc/54/50/58/599545058.db2.gz TWENJYSOWAJVBS-ZDUSSCGKSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822486826 599545059 /nfs/dbraw/zinc/54/50/59/599545059.db2.gz TWENJYSOWAJVBS-ZDUSSCGKSA-N -1 3 387.447 3.160 20 0 GGADHM CCSCC[C@H](C)N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821454347 599547981 /nfs/dbraw/zinc/54/79/81/599547981.db2.gz FJVOAQZATNOQPN-ZDUSSCGKSA-N -1 3 379.555 3.090 20 0 GGADHM CCSCC[C@H](C)N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821454347 599547983 /nfs/dbraw/zinc/54/79/83/599547983.db2.gz FJVOAQZATNOQPN-ZDUSSCGKSA-N -1 3 379.555 3.090 20 0 GGADHM CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCC1 ZINC000736507963 599548004 /nfs/dbraw/zinc/54/80/04/599548004.db2.gz HLLAUSBKXOLNJC-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCC1 ZINC000736507963 599548006 /nfs/dbraw/zinc/54/80/06/599548006.db2.gz HLLAUSBKXOLNJC-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CSC(C)(C)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821949338 599548647 /nfs/dbraw/zinc/54/86/47/599548647.db2.gz GWPRGHBPBRRTAP-UHFFFAOYSA-N -1 3 397.504 3.317 20 0 GGADHM CSC(C)(C)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821949338 599548648 /nfs/dbraw/zinc/54/86/48/599548648.db2.gz GWPRGHBPBRRTAP-UHFFFAOYSA-N -1 3 397.504 3.317 20 0 GGADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736350685 599550128 /nfs/dbraw/zinc/55/01/28/599550128.db2.gz NGBYCQYNESXIBI-APPDUMDISA-N -1 3 387.390 3.180 20 0 GGADHM C[C@H]1Cc2ccccc2CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820813280 599550696 /nfs/dbraw/zinc/55/06/96/599550696.db2.gz CSKBMQJMOJLOCD-ZDUSSCGKSA-N -1 3 379.468 3.402 20 0 GGADHM C[C@H]1Cc2ccccc2CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820813280 599550697 /nfs/dbraw/zinc/55/06/97/599550697.db2.gz CSKBMQJMOJLOCD-ZDUSSCGKSA-N -1 3 379.468 3.402 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000820717297 599550947 /nfs/dbraw/zinc/55/09/47/599550947.db2.gz PCOOQAHRXNCKLU-CKEIUWERSA-N -1 3 381.436 3.227 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000823551526 599551367 /nfs/dbraw/zinc/55/13/67/599551367.db2.gz ULFTWRXZOWPDON-UHFFFAOYSA-N -1 3 396.838 3.008 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000823551526 599551368 /nfs/dbraw/zinc/55/13/68/599551368.db2.gz ULFTWRXZOWPDON-UHFFFAOYSA-N -1 3 396.838 3.008 20 0 GGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736300911 599554400 /nfs/dbraw/zinc/55/44/00/599554400.db2.gz HQLBPJSEIYBINA-CYBMUJFWSA-N -1 3 397.479 3.385 20 0 GGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736300911 599554401 /nfs/dbraw/zinc/55/44/01/599554401.db2.gz HQLBPJSEIYBINA-CYBMUJFWSA-N -1 3 397.479 3.385 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000819933164 599556655 /nfs/dbraw/zinc/55/66/55/599556655.db2.gz IDQJSRCMGRKOOF-NSHDSACASA-N -1 3 378.864 3.332 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000819933164 599556657 /nfs/dbraw/zinc/55/66/57/599556657.db2.gz IDQJSRCMGRKOOF-NSHDSACASA-N -1 3 378.864 3.332 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(Br)c1 ZINC000823363890 599556832 /nfs/dbraw/zinc/55/68/32/599556832.db2.gz QMJJJKLNSALRSD-UHFFFAOYSA-N -1 3 377.177 3.412 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(Br)c1 ZINC000823363890 599556835 /nfs/dbraw/zinc/55/68/35/599556835.db2.gz QMJJJKLNSALRSD-UHFFFAOYSA-N -1 3 377.177 3.412 20 0 GGADHM COc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821778073 599559027 /nfs/dbraw/zinc/55/90/27/599559027.db2.gz SWTVHHLRTCRPMR-CYBMUJFWSA-N -1 3 391.435 3.118 20 0 GGADHM COc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821778073 599559029 /nfs/dbraw/zinc/55/90/29/599559029.db2.gz SWTVHHLRTCRPMR-CYBMUJFWSA-N -1 3 391.435 3.118 20 0 GGADHM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736564607 599559479 /nfs/dbraw/zinc/55/94/79/599559479.db2.gz JBSLDIAKPUTYLH-UHFFFAOYSA-N -1 3 397.382 3.101 20 0 GGADHM CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1Cl ZINC000821618289 599559647 /nfs/dbraw/zinc/55/96/47/599559647.db2.gz ZIHGUZNJHQTMIP-UHFFFAOYSA-N -1 3 381.827 3.202 20 0 GGADHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccccc1Cl ZINC000821618289 599559650 /nfs/dbraw/zinc/55/96/50/599559650.db2.gz ZIHGUZNJHQTMIP-UHFFFAOYSA-N -1 3 381.827 3.202 20 0 GGADHM COc1ccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737104377 599562806 /nfs/dbraw/zinc/56/28/06/599562806.db2.gz OCSRCGKWZUWMKC-UHFFFAOYSA-N -1 3 387.403 3.266 20 0 GGADHM CN(Cc1ccncc1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736830319 599562823 /nfs/dbraw/zinc/56/28/23/599562823.db2.gz VCCXGFYYNSKKQI-UHFFFAOYSA-N -1 3 385.431 3.278 20 0 GGADHM c1cc([C@@H]2CCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cs1 ZINC000823737139 599563595 /nfs/dbraw/zinc/56/35/95/599563595.db2.gz BAWXQQKWVWCCRQ-HNNXBMFYSA-N -1 3 379.449 3.315 20 0 GGADHM c1cc([C@@H]2CCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cs1 ZINC000823737139 599563597 /nfs/dbraw/zinc/56/35/97/599563597.db2.gz BAWXQQKWVWCCRQ-HNNXBMFYSA-N -1 3 379.449 3.315 20 0 GGADHM CC(C)c1ccc([C@@H](C)CC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735923100 599563812 /nfs/dbraw/zinc/56/38/12/599563812.db2.gz KKYKZHJKIIRHDC-HNNXBMFYSA-N -1 3 393.495 3.107 20 0 GGADHM CC(C)c1ccc([C@@H](C)CC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735923100 599563814 /nfs/dbraw/zinc/56/38/14/599563814.db2.gz KKYKZHJKIIRHDC-HNNXBMFYSA-N -1 3 393.495 3.107 20 0 GGADHM c1coc(CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C2CCCC2)c1 ZINC000823738403 599566054 /nfs/dbraw/zinc/56/60/54/599566054.db2.gz UMSHOUMBSHMMTK-UHFFFAOYSA-N -1 3 391.435 3.455 20 0 GGADHM c1coc(CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CCCC2)c1 ZINC000823738403 599566055 /nfs/dbraw/zinc/56/60/55/599566055.db2.gz UMSHOUMBSHMMTK-UHFFFAOYSA-N -1 3 391.435 3.455 20 0 GGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820769310 599569158 /nfs/dbraw/zinc/56/91/58/599569158.db2.gz SHOWMTKJHSKICA-BXUZGUMPSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820769310 599569161 /nfs/dbraw/zinc/56/91/61/599569161.db2.gz SHOWMTKJHSKICA-BXUZGUMPSA-N -1 3 392.891 3.260 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@H](CCO)c3ccccc3)c2c1 ZINC000822195280 599569474 /nfs/dbraw/zinc/56/94/74/599569474.db2.gz NAUVFSIMBGIZBJ-KRWDZBQOSA-N -1 3 388.475 3.032 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@H](CCO)c3ccccc3)c2c1 ZINC000822195280 599569476 /nfs/dbraw/zinc/56/94/76/599569476.db2.gz NAUVFSIMBGIZBJ-KRWDZBQOSA-N -1 3 388.475 3.032 20 0 GGADHM Cc1nn(C)c(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1C ZINC000737511864 599569907 /nfs/dbraw/zinc/56/99/07/599569907.db2.gz PNJQELKQWXZKIO-UHFFFAOYSA-N -1 3 388.435 3.213 20 0 GGADHM Cc1ccc(CCNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737338256 599569960 /nfs/dbraw/zinc/56/99/60/599569960.db2.gz ZCTVSDDKPQUPAJ-UHFFFAOYSA-N -1 3 399.458 3.286 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738273926 599574066 /nfs/dbraw/zinc/57/40/66/599574066.db2.gz PDOXCPUYNOOKIR-DNVCBOLYSA-N -1 3 375.432 3.070 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738273926 599574069 /nfs/dbraw/zinc/57/40/69/599574069.db2.gz PDOXCPUYNOOKIR-DNVCBOLYSA-N -1 3 375.432 3.070 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(-c2ccc(F)cc2)no1 ZINC000826251962 607384526 /nfs/dbraw/zinc/38/45/26/607384526.db2.gz IPDYERNNELDXSL-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(-c2ccc(F)cc2)no1 ZINC000826251962 607384529 /nfs/dbraw/zinc/38/45/29/607384529.db2.gz IPDYERNNELDXSL-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1cc([C@](C)(O)CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c(C)o1 ZINC000822190972 599577091 /nfs/dbraw/zinc/57/70/91/599577091.db2.gz CWYVXWDUAUVVSW-LJQANCHMSA-N -1 3 398.854 3.020 20 0 GGADHM Cc1cc([C@](C)(O)CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c(C)o1 ZINC000822190972 599577093 /nfs/dbraw/zinc/57/70/93/599577093.db2.gz CWYVXWDUAUVVSW-LJQANCHMSA-N -1 3 398.854 3.020 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCC2(CCCC2)CC1 ZINC000737033881 599579364 /nfs/dbraw/zinc/57/93/64/599579364.db2.gz VKPWAEVUPVFBRT-UHFFFAOYSA-N -1 3 399.495 3.217 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCC2(CCCC2)CC1 ZINC000737033881 599579365 /nfs/dbraw/zinc/57/93/65/599579365.db2.gz VKPWAEVUPVFBRT-UHFFFAOYSA-N -1 3 399.495 3.217 20 0 GGADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCC2)CC1 ZINC000737791915 599579371 /nfs/dbraw/zinc/57/93/71/599579371.db2.gz MTRVZCIWAHUSKR-GOSISDBHSA-N -1 3 380.496 3.018 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(CCOc3cccc(-c4nn[n-]n4)c3)[C@H](C)CO2)c1 ZINC000822231637 599580321 /nfs/dbraw/zinc/58/03/21/599580321.db2.gz BKQFOBFJODZYFN-DYESRHJHSA-N -1 3 393.491 3.324 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736335201 599595469 /nfs/dbraw/zinc/59/54/69/599595469.db2.gz YBCSGJRUROPSHD-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736335201 599595471 /nfs/dbraw/zinc/59/54/71/599595471.db2.gz YBCSGJRUROPSHD-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c1-c1nnn[n-]1 ZINC000822314879 599596501 /nfs/dbraw/zinc/59/65/01/599596501.db2.gz WCYSEWSYLCEQOR-AWEZNQCLSA-N -1 3 392.463 3.114 20 0 GGADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c1-c1nn[n-]n1 ZINC000822314879 599596503 /nfs/dbraw/zinc/59/65/03/599596503.db2.gz WCYSEWSYLCEQOR-AWEZNQCLSA-N -1 3 392.463 3.114 20 0 GGADHM CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820914227 599597692 /nfs/dbraw/zinc/59/76/92/599597692.db2.gz MVOWSCQOUWNZAL-AWEZNQCLSA-N -1 3 398.854 3.035 20 0 GGADHM CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000820914227 599597693 /nfs/dbraw/zinc/59/76/93/599597693.db2.gz MVOWSCQOUWNZAL-AWEZNQCLSA-N -1 3 398.854 3.035 20 0 GGADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC000822318899 599602602 /nfs/dbraw/zinc/60/26/02/599602602.db2.gz AXGYGQVWWRZZFO-GJZGRUSLSA-N -1 3 398.511 3.082 20 0 GGADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC000822318899 599602604 /nfs/dbraw/zinc/60/26/04/599602604.db2.gz AXGYGQVWWRZZFO-GJZGRUSLSA-N -1 3 398.511 3.082 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000736814623 599602799 /nfs/dbraw/zinc/60/27/99/599602799.db2.gz REUAKKDUHCARNO-WOJBJXKFSA-N -1 3 390.491 3.420 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000736814623 599602800 /nfs/dbraw/zinc/60/28/00/599602800.db2.gz REUAKKDUHCARNO-WOJBJXKFSA-N -1 3 390.491 3.420 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736066848 599607202 /nfs/dbraw/zinc/60/72/02/599607202.db2.gz QWSDLCVNVKNSQK-ZDUSSCGKSA-N -1 3 379.395 3.181 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736066848 599607203 /nfs/dbraw/zinc/60/72/03/599607203.db2.gz QWSDLCVNVKNSQK-ZDUSSCGKSA-N -1 3 379.395 3.181 20 0 GGADHM CCN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CCC1 ZINC000736505788 599609336 /nfs/dbraw/zinc/60/93/36/599609336.db2.gz NIGDACUSWPGEHS-UHFFFAOYSA-N -1 3 379.424 3.460 20 0 GGADHM CC[C@H](COC)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736353644 599609840 /nfs/dbraw/zinc/60/98/40/599609840.db2.gz OZZWLCYTMOKOQU-CYBMUJFWSA-N -1 3 382.424 3.206 20 0 GGADHM CC[C@H](COC)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736353644 599609842 /nfs/dbraw/zinc/60/98/42/599609842.db2.gz OZZWLCYTMOKOQU-CYBMUJFWSA-N -1 3 382.424 3.206 20 0 GGADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1nccs1 ZINC000736364497 599614824 /nfs/dbraw/zinc/61/48/24/599614824.db2.gz SHNRZDWOMQXDHI-OAHLLOKOSA-N -1 3 383.481 3.149 20 0 GGADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1nccs1 ZINC000736364497 599614825 /nfs/dbraw/zinc/61/48/25/599614825.db2.gz SHNRZDWOMQXDHI-OAHLLOKOSA-N -1 3 383.481 3.149 20 0 GGADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1nccs1 ZINC000736362427 599614855 /nfs/dbraw/zinc/61/48/55/599614855.db2.gz ISVLEOZCBXXQHP-OAHLLOKOSA-N -1 3 385.497 3.395 20 0 GGADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1nccs1 ZINC000736362427 599614857 /nfs/dbraw/zinc/61/48/57/599614857.db2.gz ISVLEOZCBXXQHP-OAHLLOKOSA-N -1 3 385.497 3.395 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158375 599617647 /nfs/dbraw/zinc/61/76/47/599617647.db2.gz GOHDOZANOCIYQX-LLVKDONJSA-N -1 3 381.417 3.430 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158375 599617649 /nfs/dbraw/zinc/61/76/49/599617649.db2.gz GOHDOZANOCIYQX-LLVKDONJSA-N -1 3 381.417 3.430 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cnc(-c2cccs2)o1 ZINC000737798843 599618569 /nfs/dbraw/zinc/61/85/69/599618569.db2.gz HENBGWPLHZZZBW-BQYQJAHWSA-N -1 3 379.401 3.340 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cnc(-c2cccs2)o1 ZINC000737798843 599618571 /nfs/dbraw/zinc/61/85/71/599618571.db2.gz HENBGWPLHZZZBW-BQYQJAHWSA-N -1 3 379.401 3.340 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819899320 599620496 /nfs/dbraw/zinc/62/04/96/599620496.db2.gz RIHXHBMABLAVHK-UHFFFAOYSA-N -1 3 383.383 3.210 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819899320 599620497 /nfs/dbraw/zinc/62/04/97/599620497.db2.gz RIHXHBMABLAVHK-UHFFFAOYSA-N -1 3 383.383 3.210 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000821389060 599620740 /nfs/dbraw/zinc/62/07/40/599620740.db2.gz FKPUSUBLNZIKIG-KKSFZXQISA-N -1 3 376.416 3.075 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000821389060 599620741 /nfs/dbraw/zinc/62/07/41/599620741.db2.gz FKPUSUBLNZIKIG-KKSFZXQISA-N -1 3 376.416 3.075 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cnc([C@H](C)OCC)s1 ZINC000821394112 599620893 /nfs/dbraw/zinc/62/08/93/599620893.db2.gz GPBBNJGQOODTRW-JTQLQIEISA-N -1 3 389.437 3.039 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cnc([C@H](C)OCC)s1 ZINC000821394112 599620894 /nfs/dbraw/zinc/62/08/94/599620894.db2.gz GPBBNJGQOODTRW-JTQLQIEISA-N -1 3 389.437 3.039 20 0 GGADHM C[C@H]1CCC[C@H](C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000820690495 599621751 /nfs/dbraw/zinc/62/17/51/599621751.db2.gz MZKWWJYJVJPCBQ-KBPBESRZSA-N -1 3 381.436 3.163 20 0 GGADHM C[C@H]1CCC[C@H](C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000820690495 599621752 /nfs/dbraw/zinc/62/17/52/599621752.db2.gz MZKWWJYJVJPCBQ-KBPBESRZSA-N -1 3 381.436 3.163 20 0 GGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823430182 599621829 /nfs/dbraw/zinc/62/18/29/599621829.db2.gz GNYHQPNPCFDQPF-UHFFFAOYSA-N -1 3 388.387 3.151 20 0 GGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000823430182 599621830 /nfs/dbraw/zinc/62/18/30/599621830.db2.gz GNYHQPNPCFDQPF-UHFFFAOYSA-N -1 3 388.387 3.151 20 0 GGADHM C[C@H](OC(=O)c1ccc(OC2CCOCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820513418 599622178 /nfs/dbraw/zinc/62/21/78/599622178.db2.gz ZJNCHRVYIRTAPB-AWEZNQCLSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@H](OC(=O)c1ccc(OC2CCOCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820513418 599622179 /nfs/dbraw/zinc/62/21/79/599622179.db2.gz ZJNCHRVYIRTAPB-AWEZNQCLSA-N -1 3 394.431 3.343 20 0 GGADHM CC(C)n1cc(Br)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820211453 599622781 /nfs/dbraw/zinc/62/27/81/599622781.db2.gz NKQQXIRQLRCVAG-UHFFFAOYSA-N -1 3 390.241 3.369 20 0 GGADHM CC(C)n1cc(Br)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820211453 599622782 /nfs/dbraw/zinc/62/27/82/599622782.db2.gz NKQQXIRQLRCVAG-UHFFFAOYSA-N -1 3 390.241 3.369 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCCc1ccc(C(F)(F)F)cc1 ZINC000823043879 599626002 /nfs/dbraw/zinc/62/60/02/599626002.db2.gz KYPBKXZHAIMOCF-UHFFFAOYSA-N -1 3 392.337 3.050 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCCc1ccc(C(F)(F)F)cc1 ZINC000823043879 599626003 /nfs/dbraw/zinc/62/60/03/599626003.db2.gz KYPBKXZHAIMOCF-UHFFFAOYSA-N -1 3 392.337 3.050 20 0 GGADHM O=C(Nc1ccccc1COC(=O)c1sccc1-c1nnn[n-]1)c1ccco1 ZINC000823373165 599626530 /nfs/dbraw/zinc/62/65/30/599626530.db2.gz RYNOAJJNBREMIB-UHFFFAOYSA-N -1 3 395.400 3.131 20 0 GGADHM O=C(OCc1ccsc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823440280 599626804 /nfs/dbraw/zinc/62/68/04/599626804.db2.gz KYUSFQSALPNGKR-UHFFFAOYSA-N -1 3 382.401 3.457 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820689666 599628578 /nfs/dbraw/zinc/62/85/78/599628578.db2.gz AOMHWLBBNLNKPS-FZMZJTMJSA-N -1 3 384.465 3.276 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)O1 ZINC000820689666 599628579 /nfs/dbraw/zinc/62/85/79/599628579.db2.gz AOMHWLBBNLNKPS-FZMZJTMJSA-N -1 3 384.465 3.276 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1SCCc2ccccc21 ZINC000823383610 599629136 /nfs/dbraw/zinc/62/91/36/599629136.db2.gz WFDGPBGTTLSLCJ-HNNXBMFYSA-N -1 3 383.502 3.386 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1SCCc2ccccc21 ZINC000823383610 599629137 /nfs/dbraw/zinc/62/91/37/599629137.db2.gz WFDGPBGTTLSLCJ-HNNXBMFYSA-N -1 3 383.502 3.386 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000821389193 599629584 /nfs/dbraw/zinc/62/95/84/599629584.db2.gz IHFWZKIWBUCAPK-ZYHUDNBSSA-N -1 3 380.832 3.172 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000821389193 599629585 /nfs/dbraw/zinc/62/95/85/599629585.db2.gz IHFWZKIWBUCAPK-ZYHUDNBSSA-N -1 3 380.832 3.172 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCC1CCOCC1 ZINC000821389544 599629743 /nfs/dbraw/zinc/62/97/43/599629743.db2.gz NSEHELSRNIKABZ-UHFFFAOYSA-N -1 3 380.832 3.031 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCC1CCOCC1 ZINC000821389544 599629744 /nfs/dbraw/zinc/62/97/44/599629744.db2.gz NSEHELSRNIKABZ-UHFFFAOYSA-N -1 3 380.832 3.031 20 0 GGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820939311 599630209 /nfs/dbraw/zinc/63/02/09/599630209.db2.gz SYBFQRWHJDLRRN-QEORTHHSSA-N -1 3 375.448 3.343 20 0 GGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820939311 599630210 /nfs/dbraw/zinc/63/02/10/599630210.db2.gz SYBFQRWHJDLRRN-QEORTHHSSA-N -1 3 375.448 3.343 20 0 GGADHM CN(C(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569812 599630754 /nfs/dbraw/zinc/63/07/54/599630754.db2.gz WWVLTQIJPKYQFE-AWEZNQCLSA-N -1 3 375.454 3.061 20 0 GGADHM CN(C(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569812 599630755 /nfs/dbraw/zinc/63/07/55/599630755.db2.gz WWVLTQIJPKYQFE-AWEZNQCLSA-N -1 3 375.454 3.061 20 0 GGADHM O=C(CCOc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822974358 599632307 /nfs/dbraw/zinc/63/23/07/599632307.db2.gz IRBPRZDVCULIAY-UHFFFAOYSA-N -1 3 395.316 3.432 20 0 GGADHM O=C(CCOc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822974358 599632308 /nfs/dbraw/zinc/63/23/08/599632308.db2.gz IRBPRZDVCULIAY-UHFFFAOYSA-N -1 3 395.316 3.432 20 0 GGADHM COc1cc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1C ZINC000821712793 599632706 /nfs/dbraw/zinc/63/27/06/599632706.db2.gz MFTPMXITBKXXHX-UHFFFAOYSA-N -1 3 391.353 3.384 20 0 GGADHM COc1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1C ZINC000821712793 599632707 /nfs/dbraw/zinc/63/27/07/599632707.db2.gz MFTPMXITBKXXHX-UHFFFAOYSA-N -1 3 391.353 3.384 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000821772721 599633676 /nfs/dbraw/zinc/63/36/76/599633676.db2.gz NBOXKCMHGVQEOF-UHFFFAOYSA-N -1 3 381.289 3.286 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000821772721 599633677 /nfs/dbraw/zinc/63/36/77/599633677.db2.gz NBOXKCMHGVQEOF-UHFFFAOYSA-N -1 3 381.289 3.286 20 0 GGADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820697931 599633796 /nfs/dbraw/zinc/63/37/96/599633796.db2.gz OCSGFGUXABOUEX-ZYHUDNBSSA-N -1 3 383.374 3.419 20 0 GGADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820697931 599633797 /nfs/dbraw/zinc/63/37/97/599633797.db2.gz OCSGFGUXABOUEX-ZYHUDNBSSA-N -1 3 383.374 3.419 20 0 GGADHM CSc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccn1 ZINC000821978150 599634506 /nfs/dbraw/zinc/63/45/06/599634506.db2.gz JUHFUISFQQEJLK-UHFFFAOYSA-N -1 3 380.355 3.255 20 0 GGADHM CSc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccn1 ZINC000821978150 599634507 /nfs/dbraw/zinc/63/45/07/599634507.db2.gz JUHFUISFQQEJLK-UHFFFAOYSA-N -1 3 380.355 3.255 20 0 GGADHM C[C@@H]1COc2ccccc2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820813440 599634665 /nfs/dbraw/zinc/63/46/65/599634665.db2.gz HAMRQBLPHNLBOZ-OAHLLOKOSA-N -1 3 393.447 3.230 20 0 GGADHM C[C@@H]1COc2ccccc2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820813440 599634666 /nfs/dbraw/zinc/63/46/66/599634666.db2.gz HAMRQBLPHNLBOZ-OAHLLOKOSA-N -1 3 393.447 3.230 20 0 GGADHM CC(C)[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000820027696 599635084 /nfs/dbraw/zinc/63/50/84/599635084.db2.gz TVSBHEYPZCYWLA-GOSISDBHSA-N -1 3 375.436 3.404 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1-n1cccn1 ZINC000823303669 599635242 /nfs/dbraw/zinc/63/52/42/599635242.db2.gz QLOOHMQPWIOCEV-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1-n1cccn1 ZINC000823303669 599635243 /nfs/dbraw/zinc/63/52/43/599635243.db2.gz QLOOHMQPWIOCEV-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM CCc1ccc([C@@H](C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821482056 599635311 /nfs/dbraw/zinc/63/53/11/599635311.db2.gz PSYQSBVIDNNKGN-CYBMUJFWSA-N -1 3 375.436 3.330 20 0 GGADHM CCc1ccc([C@@H](C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821482056 599635312 /nfs/dbraw/zinc/63/53/12/599635312.db2.gz PSYQSBVIDNNKGN-CYBMUJFWSA-N -1 3 375.436 3.330 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCC(C)(C)C1 ZINC000819875947 599643332 /nfs/dbraw/zinc/64/33/32/599643332.db2.gz CMYFCJCEUUEQPK-LBPRGKRZSA-N -1 3 388.541 3.256 20 0 GGADHM CCOC(=O)c1nc(-c2ccccc2)oc1COc1cccc(-c2nnn[n-]2)c1 ZINC000821346178 599646285 /nfs/dbraw/zinc/64/62/85/599646285.db2.gz DKXORTRIMJUATB-UHFFFAOYSA-N -1 3 391.387 3.277 20 0 GGADHM CCOC(=O)c1nc(-c2ccccc2)oc1COc1cccc(-c2nn[n-]n2)c1 ZINC000821346178 599646286 /nfs/dbraw/zinc/64/62/86/599646286.db2.gz DKXORTRIMJUATB-UHFFFAOYSA-N -1 3 391.387 3.277 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000822505332 599646665 /nfs/dbraw/zinc/64/66/65/599646665.db2.gz JAUNKRAYKVSGBU-LBPRGKRZSA-N -1 3 399.418 3.093 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000822505332 599646666 /nfs/dbraw/zinc/64/66/66/599646666.db2.gz JAUNKRAYKVSGBU-LBPRGKRZSA-N -1 3 399.418 3.093 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000822213850 599648472 /nfs/dbraw/zinc/64/84/72/599648472.db2.gz CZMZNPJUZZFQPV-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000822213850 599648473 /nfs/dbraw/zinc/64/84/73/599648473.db2.gz CZMZNPJUZZFQPV-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1cc(C(=O)COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc(C)c1F ZINC000822168086 599651997 /nfs/dbraw/zinc/65/19/97/599651997.db2.gz LISFNQKXJYNXCO-BQYQJAHWSA-N -1 3 380.379 3.062 20 0 GGADHM Cc1cc(C(=O)COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc(C)c1F ZINC000822168086 599651998 /nfs/dbraw/zinc/65/19/98/599651998.db2.gz LISFNQKXJYNXCO-BQYQJAHWSA-N -1 3 380.379 3.062 20 0 GGADHM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820912993 599655353 /nfs/dbraw/zinc/65/53/53/599655353.db2.gz BJBLLDWHWBJJKL-NSHDSACASA-N -1 3 396.398 3.152 20 0 GGADHM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820912993 599655354 /nfs/dbraw/zinc/65/53/54/599655354.db2.gz BJBLLDWHWBJJKL-NSHDSACASA-N -1 3 396.398 3.152 20 0 GGADHM CO[C@]1(C)C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678549 599655578 /nfs/dbraw/zinc/65/55/78/599655578.db2.gz PAPYOBIOCUSLNY-PGRDOPGGSA-N -1 3 391.475 3.467 20 0 GGADHM CO[C@]1(C)C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678549 599655579 /nfs/dbraw/zinc/65/55/79/599655579.db2.gz PAPYOBIOCUSLNY-PGRDOPGGSA-N -1 3 391.475 3.467 20 0 GGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820967031 599655757 /nfs/dbraw/zinc/65/57/57/599655757.db2.gz KQMBFAMHVOWMSU-ZFWWWQNUSA-N -1 3 381.436 3.299 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820967178 599655789 /nfs/dbraw/zinc/65/57/89/599655789.db2.gz LGXYJRPOJHTEHU-CJNGLKHVSA-N -1 3 378.436 3.315 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820967178 599655790 /nfs/dbraw/zinc/65/57/90/599655790.db2.gz LGXYJRPOJHTEHU-CJNGLKHVSA-N -1 3 378.436 3.315 20 0 GGADHM CC(C)CCc1nc(COC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820081303 599657691 /nfs/dbraw/zinc/65/76/91/599657691.db2.gz AWYBNUBBPHXKLO-UHFFFAOYSA-N -1 3 386.481 3.067 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)ccc1Cl ZINC000823014185 599658366 /nfs/dbraw/zinc/65/83/66/599658366.db2.gz JMDQBMRSTVDBGK-UHFFFAOYSA-N -1 3 378.219 3.329 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(C(F)F)c1 ZINC000823444716 599661110 /nfs/dbraw/zinc/66/11/10/599661110.db2.gz NRFRURWWYCVQIT-UHFFFAOYSA-N -1 3 398.329 3.211 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(C(F)F)c1 ZINC000823444716 599661111 /nfs/dbraw/zinc/66/11/11/599661111.db2.gz NRFRURWWYCVQIT-UHFFFAOYSA-N -1 3 398.329 3.211 20 0 GGADHM C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820481714 599665061 /nfs/dbraw/zinc/66/50/61/599665061.db2.gz ZBGZEIPPWQQAOX-NEPJUHHUSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000820481714 599665062 /nfs/dbraw/zinc/66/50/62/599665062.db2.gz ZBGZEIPPWQQAOX-NEPJUHHUSA-N -1 3 399.838 3.194 20 0 GGADHM Cn1c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1-c1ccccc1 ZINC000822596635 599667516 /nfs/dbraw/zinc/66/75/16/599667516.db2.gz OHLSDWOVOOXLPP-UHFFFAOYSA-N -1 3 377.379 3.368 20 0 GGADHM Cn1c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1-c1ccccc1 ZINC000822596635 599667517 /nfs/dbraw/zinc/66/75/17/599667517.db2.gz OHLSDWOVOOXLPP-UHFFFAOYSA-N -1 3 377.379 3.368 20 0 GGADHM CCCCC[C@H](C)CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821050875 599668213 /nfs/dbraw/zinc/66/82/13/599668213.db2.gz UZBXDPJHQNEXOI-NSHDSACASA-N -1 3 377.445 3.165 20 0 GGADHM CC(C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820486370 599668962 /nfs/dbraw/zinc/66/89/62/599668962.db2.gz ARGKBUWDSJBDAO-KSSFIOAISA-N -1 3 393.447 3.177 20 0 GGADHM CC(C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820486370 599668963 /nfs/dbraw/zinc/66/89/63/599668963.db2.gz ARGKBUWDSJBDAO-KSSFIOAISA-N -1 3 393.447 3.177 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822232812 599669159 /nfs/dbraw/zinc/66/91/59/599669159.db2.gz BLJGXPWZLKCCFN-MOPGFXCFSA-N -1 3 378.432 3.386 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822232812 599669160 /nfs/dbraw/zinc/66/91/60/599669160.db2.gz BLJGXPWZLKCCFN-MOPGFXCFSA-N -1 3 378.432 3.386 20 0 GGADHM CSc1ccc(F)cc1CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821984855 599670803 /nfs/dbraw/zinc/67/08/03/599670803.db2.gz VHWXTNHLAHAKMJ-NSHDSACASA-N -1 3 386.456 3.288 20 0 GGADHM CSc1ccc(F)cc1CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821984855 599670804 /nfs/dbraw/zinc/67/08/04/599670804.db2.gz VHWXTNHLAHAKMJ-NSHDSACASA-N -1 3 386.456 3.288 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCCOc2ccccc2-c2nnn[n-]2)s1 ZINC000819965670 599671135 /nfs/dbraw/zinc/67/11/35/599671135.db2.gz MGLLARGNMWSZDX-HJWRWDBZSA-N -1 3 399.476 3.256 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCCOc2ccccc2-c2nn[n-]n2)s1 ZINC000819965670 599671136 /nfs/dbraw/zinc/67/11/36/599671136.db2.gz MGLLARGNMWSZDX-HJWRWDBZSA-N -1 3 399.476 3.256 20 0 GGADHM Cc1ccc([C@@H](C)C(=O)OCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)o1 ZINC000822227440 599671595 /nfs/dbraw/zinc/67/15/95/599671595.db2.gz ITTYWKGOWDBGLA-CYBMUJFWSA-N -1 3 392.419 3.109 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823417954 599672212 /nfs/dbraw/zinc/67/22/12/599672212.db2.gz MKHQGQFVHIUMNT-LAUBAEHRSA-N -1 3 378.407 3.343 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823417954 599672213 /nfs/dbraw/zinc/67/22/13/599672213.db2.gz MKHQGQFVHIUMNT-LAUBAEHRSA-N -1 3 378.407 3.343 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823426549 599672462 /nfs/dbraw/zinc/67/24/62/599672462.db2.gz JSUPGMFLCIPTTA-WIYYLYMNSA-N -1 3 378.407 3.343 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823426549 599672463 /nfs/dbraw/zinc/67/24/63/599672463.db2.gz JSUPGMFLCIPTTA-WIYYLYMNSA-N -1 3 378.407 3.343 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)[C@H]1C[C@]12CCc1ccccc12 ZINC000823440517 599672606 /nfs/dbraw/zinc/67/26/06/599672606.db2.gz XHIIQMSKQXHOMX-VGSWGCGISA-N -1 3 385.427 3.067 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)[C@H]1C[C@]12CCc1ccccc12 ZINC000823440517 599672607 /nfs/dbraw/zinc/67/26/07/599672607.db2.gz XHIIQMSKQXHOMX-VGSWGCGISA-N -1 3 385.427 3.067 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356688 599673000 /nfs/dbraw/zinc/67/30/00/599673000.db2.gz ATHLGZWBUUPARU-GDIGMMSISA-N -1 3 392.463 3.147 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356688 599673001 /nfs/dbraw/zinc/67/30/01/599673001.db2.gz ATHLGZWBUUPARU-GDIGMMSISA-N -1 3 392.463 3.147 20 0 GGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356690 599673190 /nfs/dbraw/zinc/67/31/90/599673190.db2.gz ATHLGZWBUUPARU-JVPBZIDWSA-N -1 3 392.463 3.147 20 0 GGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356690 599673191 /nfs/dbraw/zinc/67/31/91/599673191.db2.gz ATHLGZWBUUPARU-JVPBZIDWSA-N -1 3 392.463 3.147 20 0 GGADHM Cc1ccc(C(C)(C)CN(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822227858 599675112 /nfs/dbraw/zinc/67/51/12/599675112.db2.gz YKDZJIOBNTVKPM-UHFFFAOYSA-N -1 3 396.470 3.433 20 0 GGADHM Cc1ccc(C(C)(C)CN(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822227858 599675113 /nfs/dbraw/zinc/67/51/13/599675113.db2.gz YKDZJIOBNTVKPM-UHFFFAOYSA-N -1 3 396.470 3.433 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@H](OCC)C12CCC2 ZINC000821105027 599676088 /nfs/dbraw/zinc/67/60/88/599676088.db2.gz VYFSCVCBFDOGMD-MSOLQXFVSA-N -1 3 398.511 3.136 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@H](OCC)C12CCC2 ZINC000821105027 599676089 /nfs/dbraw/zinc/67/60/89/599676089.db2.gz VYFSCVCBFDOGMD-MSOLQXFVSA-N -1 3 398.511 3.136 20 0 GGADHM CCCN(CC1CCCCC1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821094861 599677443 /nfs/dbraw/zinc/67/74/43/599677443.db2.gz RLUMQLHNHJAAGN-UHFFFAOYSA-N -1 3 386.500 3.247 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000821608801 599680468 /nfs/dbraw/zinc/68/04/68/599680468.db2.gz VFBJNNKIDAXPRZ-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000821608801 599680469 /nfs/dbraw/zinc/68/04/69/599680469.db2.gz VFBJNNKIDAXPRZ-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM CO[C@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000821676775 599682305 /nfs/dbraw/zinc/68/23/05/599682305.db2.gz GYTOZDGYPAHZGR-GOSISDBHSA-N -1 3 396.451 3.452 20 0 GGADHM CO[C@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000821676775 599682306 /nfs/dbraw/zinc/68/23/06/599682306.db2.gz GYTOZDGYPAHZGR-GOSISDBHSA-N -1 3 396.451 3.452 20 0 GGADHM CCC(C)(C)c1ccc(S(=O)(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820847649 599682805 /nfs/dbraw/zinc/68/28/05/599682805.db2.gz IJFULCKWPMTZAY-UHFFFAOYSA-N -1 3 399.520 3.375 20 0 GGADHM CCC(C)(C)c1ccc(S(=O)(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820847649 599682806 /nfs/dbraw/zinc/68/28/06/599682806.db2.gz IJFULCKWPMTZAY-UHFFFAOYSA-N -1 3 399.520 3.375 20 0 GGADHM O=C(OC[C@@H]1CCCS1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823396507 599685036 /nfs/dbraw/zinc/68/50/36/599685036.db2.gz KUCXJIOVGPPSEG-ZDUSSCGKSA-N -1 3 386.433 3.091 20 0 GGADHM O=C(OC[C@@H]1CCCS1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823396507 599685037 /nfs/dbraw/zinc/68/50/37/599685037.db2.gz KUCXJIOVGPPSEG-ZDUSSCGKSA-N -1 3 386.433 3.091 20 0 GGADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](C(F)(F)F)O1 ZINC000820766679 599687853 /nfs/dbraw/zinc/68/78/53/599687853.db2.gz CFQHAHFOWPBPLX-WRWORJQWSA-N -1 3 381.280 3.042 20 0 GGADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H](C(F)(F)F)O1 ZINC000820766679 599687854 /nfs/dbraw/zinc/68/78/54/599687854.db2.gz CFQHAHFOWPBPLX-WRWORJQWSA-N -1 3 381.280 3.042 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000822203128 599688561 /nfs/dbraw/zinc/68/85/61/599688561.db2.gz GALMSCAIYKGMFL-RNCFNFMXSA-N -1 3 396.348 3.018 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000822203128 599688562 /nfs/dbraw/zinc/68/85/62/599688562.db2.gz GALMSCAIYKGMFL-RNCFNFMXSA-N -1 3 396.348 3.018 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)Sc2nc(C)nc(C)c2-c2nnn[n-]2)n1 ZINC000822427539 599690025 /nfs/dbraw/zinc/69/00/25/599690025.db2.gz PDQPRKAKJKCVAB-NSHDSACASA-N -1 3 394.464 3.485 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(-c2ccccc2)ns1 ZINC000821699279 599696148 /nfs/dbraw/zinc/69/61/48/599696148.db2.gz JQZMURVHCDLUKN-UHFFFAOYSA-N -1 3 379.401 3.218 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(-c2ccccc2)ns1 ZINC000821699279 599696149 /nfs/dbraw/zinc/69/61/49/599696149.db2.gz JQZMURVHCDLUKN-UHFFFAOYSA-N -1 3 379.401 3.218 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccnc1 ZINC000819865458 599697185 /nfs/dbraw/zinc/69/71/85/599697185.db2.gz FZZBLRLMIZPCGA-ZDUSSCGKSA-N -1 3 387.403 3.191 20 0 GGADHM O=C(CC1(O)CCCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822937088 599700033 /nfs/dbraw/zinc/70/00/33/599700033.db2.gz ZPCFPZATPOQPRR-UHFFFAOYSA-N -1 3 393.447 3.079 20 0 GGADHM O=C(CC1(O)CCCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822937088 599700034 /nfs/dbraw/zinc/70/00/34/599700034.db2.gz ZPCFPZATPOQPRR-UHFFFAOYSA-N -1 3 393.447 3.079 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826230612 607387725 /nfs/dbraw/zinc/38/77/25/607387725.db2.gz BIJMIWPEKOKMGG-GFCCVEGCSA-N -1 3 397.460 3.081 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826230612 607387727 /nfs/dbraw/zinc/38/77/27/607387727.db2.gz BIJMIWPEKOKMGG-GFCCVEGCSA-N -1 3 397.460 3.081 20 0 GGADHM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826231213 607387742 /nfs/dbraw/zinc/38/77/42/607387742.db2.gz BUDLUUPWJJWWFN-LBPRGKRZSA-N -1 3 397.460 3.081 20 0 GGADHM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826231213 607387744 /nfs/dbraw/zinc/38/77/44/607387744.db2.gz BUDLUUPWJJWWFN-LBPRGKRZSA-N -1 3 397.460 3.081 20 0 GGADHM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CNC(C)(C)c1ccccc1 ZINC000737505769 599715975 /nfs/dbraw/zinc/71/59/75/599715975.db2.gz PLBRLRHAJLFNPJ-IBGZPJMESA-N -1 3 379.460 3.246 20 0 GGADHM O=C([O-])Nc1cc(NC(=O)NCCCN2CCc3ccccc3C2)ccc1F ZINC000740007906 599718536 /nfs/dbraw/zinc/71/85/36/599718536.db2.gz NIYVMFZGCRLMLQ-UHFFFAOYSA-N -1 3 386.427 3.486 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)Cc1ccccc1-c1ccccc1 ZINC000736204270 599718780 /nfs/dbraw/zinc/71/87/80/599718780.db2.gz IMFMZCOYGWKWRN-QGZVFWFLSA-N -1 3 380.488 3.497 20 0 GGADHM CN(CCC1CCCCC1)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000737415852 599720625 /nfs/dbraw/zinc/72/06/25/599720625.db2.gz UDZWCWZLLRJMAI-HXUWFJFHSA-N -1 3 385.508 3.182 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000820518399 607389225 /nfs/dbraw/zinc/38/92/25/607389225.db2.gz DAFYLWCGMSTPQN-CQSZACIVSA-N -1 3 393.422 3.089 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826267618 607390261 /nfs/dbraw/zinc/39/02/61/607390261.db2.gz NFQBYHPQODBKRM-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826267618 607390262 /nfs/dbraw/zinc/39/02/62/607390262.db2.gz NFQBYHPQODBKRM-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM O=C([O-])COc1cccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000659752108 599741871 /nfs/dbraw/zinc/74/18/71/599741871.db2.gz ANZHVCMYKJWXMA-FQEVSTJZSA-N -1 3 382.460 3.107 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CCCN(Cc3ccccc3C)CC2)c(C)c1C(=O)[O-] ZINC000738769563 599770547 /nfs/dbraw/zinc/77/05/47/599770547.db2.gz DPEJZLIGXZQEOA-GOSISDBHSA-N -1 3 397.519 3.417 20 0 GGADHM O=C([O-])[C@@H](NCCn1c(=O)oc2ccccc21)c1ccccc1C(F)(F)F ZINC000739500754 599791987 /nfs/dbraw/zinc/79/19/87/599791987.db2.gz SHIGTTZIELAISA-HNNXBMFYSA-N -1 3 380.322 3.029 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)cc(C(=O)[O-])c1 ZINC000737667352 599793308 /nfs/dbraw/zinc/79/33/08/599793308.db2.gz QDICEUWQFNDEKM-FQEVSTJZSA-N -1 3 396.443 3.241 20 0 GGADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000740161850 599793794 /nfs/dbraw/zinc/79/37/94/599793794.db2.gz TWEIPBCCGOXVIC-KRWDZBQOSA-N -1 3 391.414 3.282 20 0 GGADHM COc1ccnc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)c1 ZINC000738143546 599794462 /nfs/dbraw/zinc/79/44/62/599794462.db2.gz PXZKPHCFGQPCTL-UHFFFAOYSA-N -1 3 383.473 3.325 20 0 GGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC(N2CCCC2=O)CC1 ZINC000738715156 599797247 /nfs/dbraw/zinc/79/72/47/599797247.db2.gz UFENNRODUKFQFT-UHFFFAOYSA-N -1 3 376.453 3.325 20 0 GGADHM Cc1cncc(C=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000822400133 607394312 /nfs/dbraw/zinc/39/43/12/607394312.db2.gz XPRURXHGYZVGSF-TWGQIWQCSA-N -1 3 376.464 3.268 20 0 GGADHM Cc1cncc(C=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000822400133 607394314 /nfs/dbraw/zinc/39/43/14/607394314.db2.gz XPRURXHGYZVGSF-TWGQIWQCSA-N -1 3 376.464 3.268 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1-c1nn[n-]n1 ZINC000820170290 607397514 /nfs/dbraw/zinc/39/75/14/607397514.db2.gz XJOXVWPGNGWZGX-UHFFFAOYSA-N -1 3 391.387 3.013 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737369026 599825101 /nfs/dbraw/zinc/82/51/01/599825101.db2.gz DDJOSUPIMFDIBE-UHFFFAOYSA-N -1 3 387.455 3.439 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000820161697 607400059 /nfs/dbraw/zinc/40/00/59/607400059.db2.gz ZUVIOUYELZZRSQ-LBPRGKRZSA-N -1 3 385.399 3.199 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000820161697 607400060 /nfs/dbraw/zinc/40/00/60/607400060.db2.gz ZUVIOUYELZZRSQ-LBPRGKRZSA-N -1 3 385.399 3.199 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826251778 607400152 /nfs/dbraw/zinc/40/01/52/607400152.db2.gz ACGVFBYUBFQCBM-UHFFFAOYSA-N -1 3 388.431 3.335 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826251778 607400154 /nfs/dbraw/zinc/40/01/54/607400154.db2.gz ACGVFBYUBFQCBM-UHFFFAOYSA-N -1 3 388.431 3.335 20 0 GGADHM COc1ccc(OC(F)F)c(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826211108 607401339 /nfs/dbraw/zinc/40/13/39/607401339.db2.gz PNDLPOYLYXMPMN-UHFFFAOYSA-N -1 3 390.346 3.142 20 0 GGADHM COc1ccc(OC(F)F)c(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826211108 607401341 /nfs/dbraw/zinc/40/13/41/607401341.db2.gz PNDLPOYLYXMPMN-UHFFFAOYSA-N -1 3 390.346 3.142 20 0 GGADHM COc1ccc([C@H](NCc2cccc(C(=O)N3CCCCC3)c2)C(=O)[O-])cc1 ZINC000737969150 599859092 /nfs/dbraw/zinc/85/90/92/599859092.db2.gz ITVUQSOONVXGKM-FQEVSTJZSA-N -1 3 382.460 3.237 20 0 GGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822328515 607402562 /nfs/dbraw/zinc/40/25/62/607402562.db2.gz RGKUXXZBTDUVEK-AWEZNQCLSA-N -1 3 381.436 3.368 20 0 GGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822328515 607402563 /nfs/dbraw/zinc/40/25/63/607402563.db2.gz RGKUXXZBTDUVEK-AWEZNQCLSA-N -1 3 381.436 3.368 20 0 GGADHM CC1CCC(OC2CCN(C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000565106496 599866907 /nfs/dbraw/zinc/86/69/07/599866907.db2.gz XDMQFDCPTHBIQF-KGXSXCIVSA-N -1 3 391.508 3.184 20 0 GGADHM Cc1nn(C)c2sc(C(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)cc12 ZINC000822496368 607403128 /nfs/dbraw/zinc/40/31/28/607403128.db2.gz KQTTUEKWAUVGKU-UHFFFAOYSA-N -1 3 397.464 3.163 20 0 GGADHM O=C([O-])c1ccc(OC[C@@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000740164662 599875954 /nfs/dbraw/zinc/87/59/54/599875954.db2.gz FEMVOOXXJHPTDL-INIZCTEOSA-N -1 3 395.377 3.422 20 0 GGADHM Cc1cc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc(C)c1OCC(=O)[O-] ZINC000738390267 599881018 /nfs/dbraw/zinc/88/10/18/599881018.db2.gz WNGIOUHJDSWYJH-OAHLLOKOSA-N -1 3 382.460 3.137 20 0 GGADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000822326873 607410101 /nfs/dbraw/zinc/41/01/01/607410101.db2.gz CEPAUICTEMDRER-JKSUJKDBSA-N -1 3 383.477 3.357 20 0 GGADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000822326873 607410104 /nfs/dbraw/zinc/41/01/04/607410104.db2.gz CEPAUICTEMDRER-JKSUJKDBSA-N -1 3 383.477 3.357 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(-c2ccccc2)nc1C ZINC000826254430 607407146 /nfs/dbraw/zinc/40/71/46/607407146.db2.gz KVIPPFPACRRIJA-UHFFFAOYSA-N -1 3 386.415 3.298 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(-c2ccccc2)nc1C ZINC000826254430 607407147 /nfs/dbraw/zinc/40/71/47/607407147.db2.gz KVIPPFPACRRIJA-UHFFFAOYSA-N -1 3 386.415 3.298 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737371129 599934534 /nfs/dbraw/zinc/93/45/34/599934534.db2.gz ZRFJCZDPTIRQBR-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CC1(C)CN(C2(CNC(=O)Nc3cccc(C(=O)[O-])c3)CCCCC2)CCO1 ZINC000736735015 599940844 /nfs/dbraw/zinc/94/08/44/599940844.db2.gz CLUCKNSXKXZAGD-UHFFFAOYSA-N -1 3 389.496 3.320 20 0 GGADHM O=C([O-])[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)Cc1cccc(F)c1 ZINC000739404637 599942958 /nfs/dbraw/zinc/94/29/58/599942958.db2.gz YOQGEGNEIDHXHY-LJQANCHMSA-N -1 3 384.451 3.095 20 0 GGADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccnc(Cl)c1 ZINC000823376089 607408352 /nfs/dbraw/zinc/40/83/52/607408352.db2.gz WTIVWZCLHVQIEZ-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccnc(Cl)c1 ZINC000823376089 607408353 /nfs/dbraw/zinc/40/83/53/607408353.db2.gz WTIVWZCLHVQIEZ-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM C[C@@H](CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736576593 599950183 /nfs/dbraw/zinc/95/01/83/599950183.db2.gz DZZKVBDCTQMYEA-KRWDZBQOSA-N -1 3 380.488 3.420 20 0 GGADHM O=C([O-])CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000739660280 599952241 /nfs/dbraw/zinc/95/22/41/599952241.db2.gz WOZXRBHKVWLGSV-UXHICEINSA-N -1 3 381.476 3.016 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)CC(=O)c1cccc(F)c1 ZINC000826252544 607409127 /nfs/dbraw/zinc/40/91/27/607409127.db2.gz HHYUWDZKROLDLB-CYBMUJFWSA-N -1 3 382.395 3.267 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)CC(=O)c1cccc(F)c1 ZINC000826252544 607409128 /nfs/dbraw/zinc/40/91/28/607409128.db2.gz HHYUWDZKROLDLB-CYBMUJFWSA-N -1 3 382.395 3.267 20 0 GGADHM CN(Cc1ccc(F)cc1C(=O)[O-])C[C@@H](c1cccs1)N1CCOCC1 ZINC000737472443 599967673 /nfs/dbraw/zinc/96/76/73/599967673.db2.gz RVZVHEPQSUOJJG-KRWDZBQOSA-N -1 3 378.469 3.091 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000826254337 607410236 /nfs/dbraw/zinc/41/02/36/607410236.db2.gz GWGVQRQMXUBRGZ-UHFFFAOYSA-N -1 3 394.435 3.062 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000826254337 607410237 /nfs/dbraw/zinc/41/02/37/607410237.db2.gz GWGVQRQMXUBRGZ-UHFFFAOYSA-N -1 3 394.435 3.062 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1coc2cc(C)ccc12 ZINC000821745237 607411279 /nfs/dbraw/zinc/41/12/79/607411279.db2.gz LGBJKLDOQXEPTA-UHFFFAOYSA-N -1 3 378.388 3.216 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1coc2cc(C)ccc12 ZINC000821745237 607411281 /nfs/dbraw/zinc/41/12/81/607411281.db2.gz LGBJKLDOQXEPTA-UHFFFAOYSA-N -1 3 378.388 3.216 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000821740770 607411936 /nfs/dbraw/zinc/41/19/36/607411936.db2.gz CETHSSDMPNYPEN-UHFFFAOYSA-N -1 3 394.431 3.198 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722306 600018648 /nfs/dbraw/zinc/01/86/48/600018648.db2.gz BUNXSLXPJYJLCQ-YWZLYKJASA-N -1 3 379.460 3.246 20 0 GGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826267552 607416015 /nfs/dbraw/zinc/41/60/15/607416015.db2.gz KOCIWYLFUOIPGH-CYBMUJFWSA-N -1 3 397.866 3.401 20 0 GGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826267552 607416017 /nfs/dbraw/zinc/41/60/17/607416017.db2.gz KOCIWYLFUOIPGH-CYBMUJFWSA-N -1 3 397.866 3.401 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000737359595 600020878 /nfs/dbraw/zinc/02/08/78/600020878.db2.gz FBMPBVJJCQCXRA-GOSISDBHSA-N -1 3 387.505 3.429 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000737358472 600020927 /nfs/dbraw/zinc/02/09/27/600020927.db2.gz NBXUSILJJFALJA-GOSISDBHSA-N -1 3 387.505 3.429 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263492505 600028249 /nfs/dbraw/zinc/02/82/49/600028249.db2.gz RQIZOTXPMDRCAP-UHFFFAOYSA-N -1 3 381.904 3.057 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000826281162 607414375 /nfs/dbraw/zinc/41/43/75/607414375.db2.gz HDELUTPSXXZJMT-UHFFFAOYSA-N -1 3 389.459 3.252 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826281162 607414377 /nfs/dbraw/zinc/41/43/77/607414377.db2.gz HDELUTPSXXZJMT-UHFFFAOYSA-N -1 3 389.459 3.252 20 0 GGADHM CC(C)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000236650995 600037338 /nfs/dbraw/zinc/03/73/38/600037338.db2.gz BLJXVLLRPSDSEM-UHFFFAOYSA-N -1 3 380.488 3.271 20 0 GGADHM CCc1ccc([C@@H](C)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737259420 600047665 /nfs/dbraw/zinc/04/76/65/600047665.db2.gz QPROUYUFMDWGGP-QVKFZJNVSA-N -1 3 393.487 3.193 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000736390038 600047815 /nfs/dbraw/zinc/04/78/15/600047815.db2.gz NTRFAPKBEHFOGT-FQEVSTJZSA-N -1 3 384.432 3.081 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000736388732 600047916 /nfs/dbraw/zinc/04/79/16/600047916.db2.gz DJYJVJZDBZNHCJ-FQEVSTJZSA-N -1 3 384.432 3.081 20 0 GGADHM COc1ccc([C@@H](NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000737975593 600048494 /nfs/dbraw/zinc/04/84/94/600048494.db2.gz ZBZWEDWBQAUTCV-UNMCSNQZSA-N -1 3 396.487 3.020 20 0 GGADHM COc1ccc([C@H](NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000737975590 600048579 /nfs/dbraw/zinc/04/85/79/600048579.db2.gz ZBZWEDWBQAUTCV-RBBKRZOGSA-N -1 3 396.487 3.020 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000739623094 600050379 /nfs/dbraw/zinc/05/03/79/600050379.db2.gz BOOOHSFMSDHJDY-CTNGQTDRSA-N -1 3 398.890 3.419 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)CSc1ccccc1 ZINC000821736545 607416387 /nfs/dbraw/zinc/41/63/87/607416387.db2.gz LRUIFTZCDYMTMV-ZDUSSCGKSA-N -1 3 384.461 3.347 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)CSc1ccccc1 ZINC000821736545 607416388 /nfs/dbraw/zinc/41/63/88/607416388.db2.gz LRUIFTZCDYMTMV-ZDUSSCGKSA-N -1 3 384.461 3.347 20 0 GGADHM CC(C)(C)c1ccc(OCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824136415 607417063 /nfs/dbraw/zinc/41/70/63/607417063.db2.gz QEKMPZVOSFRMPW-UHFFFAOYSA-N -1 3 391.475 3.349 20 0 GGADHM CC(C)(C)c1ccc(OCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824136415 607417064 /nfs/dbraw/zinc/41/70/64/607417064.db2.gz QEKMPZVOSFRMPW-UHFFFAOYSA-N -1 3 391.475 3.349 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000740188146 600073988 /nfs/dbraw/zinc/07/39/88/600073988.db2.gz BCXXZCMISRPJHN-SFHVURJKSA-N -1 3 382.435 3.278 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)o1 ZINC000739407085 600077874 /nfs/dbraw/zinc/07/78/74/600077874.db2.gz NNUWDEVJFYIAIK-CYBMUJFWSA-N -1 3 375.400 3.151 20 0 GGADHM COC(=O)c1cccc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000737708397 600080828 /nfs/dbraw/zinc/08/08/28/600080828.db2.gz KCYZBCVFLQMFQQ-SFHVURJKSA-N -1 3 392.249 3.325 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000740078486 600081245 /nfs/dbraw/zinc/08/12/45/600081245.db2.gz KICQQAMFADRBRY-UHFFFAOYSA-N -1 3 382.233 3.320 20 0 GGADHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000184997810 600082951 /nfs/dbraw/zinc/08/29/51/600082951.db2.gz MMUJIOCAAZLIDD-OAHLLOKOSA-N -1 3 390.505 3.101 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1SCCc2sccc21 ZINC000821741355 607418509 /nfs/dbraw/zinc/41/85/09/607418509.db2.gz LDJZIJBOTMUYOY-OAHLLOKOSA-N -1 3 388.474 3.011 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1SCCc2sccc21 ZINC000821741355 607418511 /nfs/dbraw/zinc/41/85/11/607418511.db2.gz LDJZIJBOTMUYOY-OAHLLOKOSA-N -1 3 388.474 3.011 20 0 GGADHM C[C@@H](CCc1cccc(F)c1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824406243 607420563 /nfs/dbraw/zinc/42/05/63/607420563.db2.gz GNRNAAZVHFUGPY-AWEZNQCLSA-N -1 3 379.439 3.380 20 0 GGADHM C[C@@H](CCc1cccc(F)c1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824406243 607420565 /nfs/dbraw/zinc/42/05/65/607420565.db2.gz GNRNAAZVHFUGPY-AWEZNQCLSA-N -1 3 379.439 3.380 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(-c2cscn2)c1 ZINC000826428061 607422751 /nfs/dbraw/zinc/42/27/51/607422751.db2.gz NIBNLMLLXWTBQS-UHFFFAOYSA-N -1 3 388.456 3.409 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(-c2cscn2)c1 ZINC000826428061 607422752 /nfs/dbraw/zinc/42/27/52/607422752.db2.gz NIBNLMLLXWTBQS-UHFFFAOYSA-N -1 3 388.456 3.409 20 0 GGADHM CC[C@@](NCc1cc(=O)oc2cc(NC(C)=O)ccc12)(C(=O)[O-])c1ccccc1 ZINC000736918247 600131864 /nfs/dbraw/zinc/13/18/64/600131864.db2.gz RJPGSXMTSWAKOM-QFIPXVFZSA-N -1 3 394.427 3.231 20 0 GGADHM COc1cc(C)ccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821708570 607426812 /nfs/dbraw/zinc/42/68/12/607426812.db2.gz SZRFEIKCODXZNO-UHFFFAOYSA-N -1 3 396.451 3.293 20 0 GGADHM COc1cc(C)ccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821708570 607426813 /nfs/dbraw/zinc/42/68/13/607426813.db2.gz SZRFEIKCODXZNO-UHFFFAOYSA-N -1 3 396.451 3.293 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826428051 607424523 /nfs/dbraw/zinc/42/45/23/607424523.db2.gz MVSKQQHLKREQAB-HOCLYGCPSA-N -1 3 381.386 3.054 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826428051 607424524 /nfs/dbraw/zinc/42/45/24/607424524.db2.gz MVSKQQHLKREQAB-HOCLYGCPSA-N -1 3 381.386 3.054 20 0 GGADHM C[C@@H](CN(C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571107 600143751 /nfs/dbraw/zinc/14/37/51/600143751.db2.gz IGNORIHGGZEMBG-KKSFZXQISA-N -1 3 393.487 3.457 20 0 GGADHM CCCN(CCC(=O)N(C)CC(=O)[O-])[C@H](C)c1ccccc1Br ZINC000737020347 600160276 /nfs/dbraw/zinc/16/02/76/600160276.db2.gz VNTSDUBHMVUKOL-CYBMUJFWSA-N -1 3 385.302 3.155 20 0 GGADHM CN(C(=O)OC(C)(C)C)C1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000737337308 600168347 /nfs/dbraw/zinc/16/83/47/600168347.db2.gz XOWOORXIMAFMQJ-UHFFFAOYSA-N -1 3 378.469 3.095 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000826428277 607426308 /nfs/dbraw/zinc/42/63/08/607426308.db2.gz VOSANJXOROBZKC-UHFFFAOYSA-N -1 3 390.378 3.080 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000826428277 607426309 /nfs/dbraw/zinc/42/63/09/607426309.db2.gz VOSANJXOROBZKC-UHFFFAOYSA-N -1 3 390.378 3.080 20 0 GGADHM Cc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000738615984 600195444 /nfs/dbraw/zinc/19/54/44/600195444.db2.gz MUICZPGJGVAVAB-UHFFFAOYSA-N -1 3 381.476 3.234 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(O)c2)cc1-c1nnn[n-]1 ZINC000820165993 607427147 /nfs/dbraw/zinc/42/71/47/607427147.db2.gz UKPVATYMJDXTQY-GFCCVEGCSA-N -1 3 382.424 3.242 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(O)c2)cc1-c1nn[n-]n1 ZINC000820165993 607427148 /nfs/dbraw/zinc/42/71/48/607427148.db2.gz UKPVATYMJDXTQY-GFCCVEGCSA-N -1 3 382.424 3.242 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2)CC1 ZINC000261941902 600199256 /nfs/dbraw/zinc/19/92/56/600199256.db2.gz NJLZQVYMFUCOFS-UHFFFAOYSA-N -1 3 385.439 3.307 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1-c1nnn[n-]1 ZINC000820164014 607427400 /nfs/dbraw/zinc/42/74/00/607427400.db2.gz AKYOGMCRBNQDDK-QGZVFWFLSA-N -1 3 393.451 3.418 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1-c1nn[n-]n1 ZINC000820164014 607427401 /nfs/dbraw/zinc/42/74/01/607427401.db2.gz AKYOGMCRBNQDDK-QGZVFWFLSA-N -1 3 393.451 3.418 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCc1nc2ccccc2n1C ZINC000736826957 600208579 /nfs/dbraw/zinc/20/85/79/600208579.db2.gz YDLKSIAYELLFPF-MRXNPFEDSA-N -1 3 378.476 3.025 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC000821949809 607428671 /nfs/dbraw/zinc/42/86/71/607428671.db2.gz JIZQAAIPMPEDQV-OCCSQVGLSA-N -1 3 390.513 3.450 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC000821949809 607428673 /nfs/dbraw/zinc/42/86/73/607428673.db2.gz JIZQAAIPMPEDQV-OCCSQVGLSA-N -1 3 390.513 3.450 20 0 GGADHM C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000736213462 600241260 /nfs/dbraw/zinc/24/12/60/600241260.db2.gz DPTNCUXUAOQKFA-GOSISDBHSA-N -1 3 394.515 3.387 20 0 GGADHM O=C([O-])c1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)nc1 ZINC000647737941 600259480 /nfs/dbraw/zinc/25/94/80/600259480.db2.gz KKDCQPPOWWPSSX-UHFFFAOYSA-N -1 3 387.867 3.171 20 0 GGADHM O=C([O-])c1cn(CC(=O)O[C@H]2CCN(Cc3ccccc3)C2)c2ccccc12 ZINC000739359317 600273356 /nfs/dbraw/zinc/27/33/56/600273356.db2.gz KFTBGOYYNUAALD-KRWDZBQOSA-N -1 3 378.428 3.157 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604887 600280311 /nfs/dbraw/zinc/28/03/11/600280311.db2.gz PXZFWIXGLBRBHB-APWZRJJASA-N -1 3 382.435 3.253 20 0 GGADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000736634615 600303004 /nfs/dbraw/zinc/30/30/04/600303004.db2.gz ZEHTWOUSOHABMQ-TWOQFEAHSA-N -1 3 384.520 3.318 20 0 GGADHM CN(C(=O)c1cccc(OCc2cscn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829245 607435793 /nfs/dbraw/zinc/43/57/93/607435793.db2.gz ANZNOIPNUZNXQQ-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM CN(C(=O)c1cccc(OCc2cscn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829245 607435794 /nfs/dbraw/zinc/43/57/94/607435794.db2.gz ANZNOIPNUZNXQQ-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM CN(C(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829288 607435859 /nfs/dbraw/zinc/43/58/59/607435859.db2.gz BGUFFMDPXUAVNB-UHFFFAOYSA-N -1 3 377.326 3.084 20 0 GGADHM CN(C(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829288 607435861 /nfs/dbraw/zinc/43/58/61/607435861.db2.gz BGUFFMDPXUAVNB-UHFFFAOYSA-N -1 3 377.326 3.084 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(CNC3(C(=O)[O-])CCCCC3)cs2)cc1 ZINC000738168774 600320321 /nfs/dbraw/zinc/32/03/21/600320321.db2.gz XULIXFWCCSYHMJ-UHFFFAOYSA-N -1 3 394.518 3.091 20 0 GGADHM CCC[C@@](C)(NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000736960020 600321725 /nfs/dbraw/zinc/32/17/25/600321725.db2.gz UAXMCQJBYFXCAC-CQSZACIVSA-N -1 3 391.781 3.068 20 0 GGADHM CCC[C@](C)(NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000736960018 600321795 /nfs/dbraw/zinc/32/17/95/600321795.db2.gz UAXMCQJBYFXCAC-AWEZNQCLSA-N -1 3 391.781 3.068 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736599204 600346104 /nfs/dbraw/zinc/34/61/04/600346104.db2.gz ROZMDLRZLYVRSZ-INIZCTEOSA-N -1 3 384.480 3.438 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000737480963 600347101 /nfs/dbraw/zinc/34/71/01/600347101.db2.gz DCCGXXCMQBQQDL-IBGZPJMESA-N -1 3 384.480 3.091 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000736798273 600348269 /nfs/dbraw/zinc/34/82/69/600348269.db2.gz UUFMZVPGZMDKTI-VQTJNVASSA-N -1 3 399.535 3.356 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000739988997 600349957 /nfs/dbraw/zinc/34/99/57/600349957.db2.gz YBXYXWUTZKRDCF-UHFFFAOYSA-N -1 3 382.464 3.024 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000736905009 600353631 /nfs/dbraw/zinc/35/36/31/600353631.db2.gz OKDQCRVNTICCFV-FQEVSTJZSA-N -1 3 396.491 3.413 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737369385 600354320 /nfs/dbraw/zinc/35/43/20/600354320.db2.gz HAMVJVSNGJTCLZ-UHFFFAOYSA-N -1 3 388.443 3.189 20 0 GGADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)C(=O)[O-] ZINC000736571170 600375297 /nfs/dbraw/zinc/37/52/97/600375297.db2.gz JBZKEWGXHSJIDO-HUUCEWRRSA-N -1 3 387.505 3.353 20 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/nfs/dbraw/zinc/40/01/90/600400190.db2.gz FKKIBQWOPURYMR-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccccc1 ZINC000737361503 600405862 /nfs/dbraw/zinc/40/58/62/600405862.db2.gz ULIFPMNVLKCZAC-HNNXBMFYSA-N -1 3 393.390 3.411 20 0 GGADHM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736212902 600407111 /nfs/dbraw/zinc/40/71/11/600407111.db2.gz UYVFHICOGJJYPB-XJKSGUPXSA-N -1 3 397.313 3.346 20 0 GGADHM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736211342 600409380 /nfs/dbraw/zinc/40/93/80/600409380.db2.gz KAZJYGZOWHSYGL-FZKQIMNGSA-N -1 3 397.313 3.130 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817631 607442278 /nfs/dbraw/zinc/44/22/78/607442278.db2.gz MIQOQFXTDQVBRS-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817631 607442280 /nfs/dbraw/zinc/44/22/80/607442280.db2.gz MIQOQFXTDQVBRS-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(F)cc1 ZINC000739483343 600426884 /nfs/dbraw/zinc/42/68/84/600426884.db2.gz DZCVNXAAEOSNDC-LJQANCHMSA-N -1 3 379.391 3.389 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000736713763 600441831 /nfs/dbraw/zinc/44/18/31/600441831.db2.gz CQSPUNFXZYJNIU-WCQYABFASA-N -1 3 387.354 3.429 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000736713765 600442172 /nfs/dbraw/zinc/44/21/72/600442172.db2.gz CQSPUNFXZYJNIU-YPMHNXCESA-N -1 3 387.354 3.429 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000736466225 600445749 /nfs/dbraw/zinc/44/57/49/600445749.db2.gz SJMDKWUPQIBBEG-OAQYLSRUSA-N -1 3 386.517 3.407 20 0 GGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000739285380 600449910 /nfs/dbraw/zinc/44/99/10/600449910.db2.gz GZCOOFBEUOCULB-OFNKIYASSA-N -1 3 395.503 3.102 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736722815 600456937 /nfs/dbraw/zinc/45/69/37/600456937.db2.gz DVXCJZLQJYOBCU-OXQOHEQNSA-N -1 3 396.491 3.454 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000740017762 600457445 /nfs/dbraw/zinc/45/74/45/600457445.db2.gz LOOSUQQUMAHXJW-HXUWFJFHSA-N -1 3 396.491 3.283 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(-c2ccco2)nc1C ZINC000826253814 607445343 /nfs/dbraw/zinc/44/53/43/607445343.db2.gz FZAYWBVFRWSYMN-UHFFFAOYSA-N -1 3 375.388 3.496 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(-c2ccco2)nc1C ZINC000826253814 607445345 /nfs/dbraw/zinc/44/53/45/607445345.db2.gz FZAYWBVFRWSYMN-UHFFFAOYSA-N -1 3 375.388 3.496 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000740016839 600461846 /nfs/dbraw/zinc/46/18/46/600461846.db2.gz AREUBSHEFOAXAF-FQEVSTJZSA-N -1 3 396.491 3.455 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000738760328 600470535 /nfs/dbraw/zinc/47/05/35/600470535.db2.gz ILBPWKKHMXGZSX-ZNLUXHQJSA-N -1 3 392.499 3.211 20 0 GGADHM O=C([O-])c1cn(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)c2ccccc12 ZINC000739359011 600481277 /nfs/dbraw/zinc/48/12/77/600481277.db2.gz GJWZBOXBFXAQGP-GOSISDBHSA-N -1 3 391.471 3.120 20 0 GGADHM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000739686848 600496095 /nfs/dbraw/zinc/49/60/95/600496095.db2.gz VRUOZWFIEYXIQF-GOSISDBHSA-N -1 3 397.475 3.176 20 0 GGADHM CC(C)(C)CCN1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736248216 600498660 /nfs/dbraw/zinc/49/86/60/600498660.db2.gz GUINOGAQKNAVGO-UHFFFAOYSA-N -1 3 376.501 3.082 20 0 GGADHM CC(C)[C@@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736395475 600508958 /nfs/dbraw/zinc/50/89/58/600508958.db2.gz MXKDQPFUQMWMTF-UZLBHIALSA-N -1 3 385.508 3.038 20 0 GGADHM O=C([O-])CCN(Cc1cccc(C(=O)Nc2ccccc2)c1)C[C@H]1CCCO1 ZINC000739723544 600512426 /nfs/dbraw/zinc/51/24/26/600512426.db2.gz LZJQJQSAXQFQNN-HXUWFJFHSA-N -1 3 382.460 3.395 20 0 GGADHM CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1ccccc1C(=O)[O-] ZINC000737052956 600532159 /nfs/dbraw/zinc/53/21/59/600532159.db2.gz OBNSETBOIXPWQC-UHFFFAOYSA-N -1 3 395.503 3.340 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C2 ZINC000740203520 600535063 /nfs/dbraw/zinc/53/50/63/600535063.db2.gz NYYNLHNBQZIGLS-HXUWFJFHSA-N -1 3 379.460 3.075 20 0 GGADHM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(F)cc1F ZINC000739406072 600541211 /nfs/dbraw/zinc/54/12/11/600541211.db2.gz AWABILDCIRDQHY-AWEZNQCLSA-N -1 3 389.402 3.449 20 0 GGADHM Cc1oc(NC(=O)CN2CCCCC[C@@H]2c2ccco2)c(-c2nnn[n-]2)c1C ZINC000822549393 607453519 /nfs/dbraw/zinc/45/35/19/607453519.db2.gz YTDLKURKUVXWHL-CQSZACIVSA-N -1 3 384.440 3.225 20 0 GGADHM Cc1oc(NC(=O)CN2CCCCC[C@@H]2c2ccco2)c(-c2nn[n-]n2)c1C ZINC000822549393 607453520 /nfs/dbraw/zinc/45/35/20/607453520.db2.gz YTDLKURKUVXWHL-CQSZACIVSA-N -1 3 384.440 3.225 20 0 GGADHM O=C(NC[C@@H]1CCCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826434904 607454302 /nfs/dbraw/zinc/45/43/02/607454302.db2.gz AZVUCQVONWLJIG-KRWDZBQOSA-N -1 3 388.475 3.275 20 0 GGADHM O=C(NC[C@@H]1CCCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826434904 607454303 /nfs/dbraw/zinc/45/43/03/607454303.db2.gz AZVUCQVONWLJIG-KRWDZBQOSA-N -1 3 388.475 3.275 20 0 GGADHM O=C([O-])[C@@H]1CC12CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000739528845 600566671 /nfs/dbraw/zinc/56/66/71/600566671.db2.gz ZJELAOTVZXWPJU-OALUTQOASA-N -1 3 385.508 3.110 20 0 GGADHM Cc1oc(NC(=O)CN2C[C@@H](C)C[C@H]2c2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000822548272 607454582 /nfs/dbraw/zinc/45/45/82/607454582.db2.gz GVUKFROVLXCBNJ-ZBEGNZNMSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1oc(NC(=O)CN2C[C@@H](C)C[C@H]2c2ccccc2F)c(-c2nn[n-]n2)c1C ZINC000822548272 607454584 /nfs/dbraw/zinc/45/45/84/607454584.db2.gz GVUKFROVLXCBNJ-ZBEGNZNMSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547715 607454642 /nfs/dbraw/zinc/45/46/42/607454642.db2.gz BVYARLAIOMAIJY-ZMZPIMSZSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(-c2nn[n-]n2)c1C ZINC000822547715 607454643 /nfs/dbraw/zinc/45/46/43/607454643.db2.gz BVYARLAIOMAIJY-ZMZPIMSZSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1nc(-c2ccc(Br)cc2)nn1CN(CCC(=O)[O-])C(C)C ZINC000738828489 600610383 /nfs/dbraw/zinc/61/03/83/600610383.db2.gz YGCDPQRDVWDUEZ-UHFFFAOYSA-N -1 3 381.274 3.159 20 0 GGADHM O=C(N[C@H]1CSc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826432785 607457947 /nfs/dbraw/zinc/45/79/47/607457947.db2.gz KWJSQWYWLONWDH-HNNXBMFYSA-N -1 3 378.461 3.002 20 0 GGADHM O=C(N[C@H]1CSc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826432785 607457949 /nfs/dbraw/zinc/45/79/49/607457949.db2.gz KWJSQWYWLONWDH-HNNXBMFYSA-N -1 3 378.461 3.002 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc(N(C)C(=O)[O-])cc3)CC2)c1 ZINC000738310607 600661282 /nfs/dbraw/zinc/66/12/82/600661282.db2.gz OEWFHOLMLMEOEO-UHFFFAOYSA-N -1 3 396.491 3.260 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000737370366 600662610 /nfs/dbraw/zinc/66/26/10/600662610.db2.gz IDJZIZKSYPOTAH-MRXNPFEDSA-N -1 3 391.265 3.066 20 0 GGADHM Cc1cnc([C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C2CC2)s1 ZINC000826318136 607459002 /nfs/dbraw/zinc/45/90/02/607459002.db2.gz WWLPJYKJGUSAHA-OAHLLOKOSA-N -1 3 395.492 3.071 20 0 GGADHM Cc1cnc([C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C2CC2)s1 ZINC000826318136 607459004 /nfs/dbraw/zinc/45/90/04/607459004.db2.gz WWLPJYKJGUSAHA-OAHLLOKOSA-N -1 3 395.492 3.071 20 0 GGADHM CCc1[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000737241326 600692150 /nfs/dbraw/zinc/69/21/50/600692150.db2.gz LVURGBSUBXXNGE-OAHLLOKOSA-N -1 3 383.492 3.320 20 0 GGADHM Cc1ccc(CC[C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000826287293 607459315 /nfs/dbraw/zinc/45/93/15/607459315.db2.gz JPODLCQITUJJCI-CYBMUJFWSA-N -1 3 380.452 3.078 20 0 GGADHM Cc1ccc(CC[C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000826287293 607459316 /nfs/dbraw/zinc/45/93/16/607459316.db2.gz JPODLCQITUJJCI-CYBMUJFWSA-N -1 3 380.452 3.078 20 0 GGADHM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(-n2cccn2)cc1 ZINC000827727709 600693897 /nfs/dbraw/zinc/69/38/97/600693897.db2.gz LXQGIVNWXDHWFC-DYVFJYSZSA-N -1 3 396.472 3.088 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000830619367 600707957 /nfs/dbraw/zinc/70/79/57/600707957.db2.gz DKXVJRAGTLMRMT-OAHLLOKOSA-N -1 3 398.434 3.307 20 0 GGADHM O=C([O-])c1cc(NCCN2CCSCC2)c2cc(Br)ccc2n1 ZINC000740089057 600708608 /nfs/dbraw/zinc/70/86/08/600708608.db2.gz PRDVJZJLBYXAQY-UHFFFAOYSA-N -1 3 396.310 3.156 20 0 GGADHM C[C@@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccc(C(=O)[O-])o1 ZINC000827825417 600709998 /nfs/dbraw/zinc/70/99/98/600709998.db2.gz FGXWZQUECZLYOW-MFKMUULPSA-N -1 3 377.780 3.289 20 0 GGADHM C[C@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccc(C(=O)[O-])o1 ZINC000827825413 600710078 /nfs/dbraw/zinc/71/00/78/600710078.db2.gz FGXWZQUECZLYOW-GWCFXTLKSA-N -1 3 377.780 3.289 20 0 GGADHM Cc1[nH]c(C(=O)CN2CCCN(Cc3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000738233351 600720812 /nfs/dbraw/zinc/72/08/12/600720812.db2.gz GBZCYKSUEAGLNV-OAHLLOKOSA-N -1 3 383.492 3.109 20 0 GGADHM CCN1CC[C@H](N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[C@H]1C ZINC000737111752 600724737 /nfs/dbraw/zinc/72/47/37/600724737.db2.gz DHBIUYSHRJHCJE-OLZOCXBDSA-N -1 3 396.534 3.093 20 0 GGADHM Cc1cc(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000285161723 600737997 /nfs/dbraw/zinc/73/79/97/600737997.db2.gz SNPJOWRCQIWVLK-OAHLLOKOSA-N -1 3 390.505 3.101 20 0 GGADHM CC(C)c1nc2n(n1)C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827158846 600748460 /nfs/dbraw/zinc/74/84/60/600748460.db2.gz RWOZZHDYYVERCR-ABAIWWIYSA-N -1 3 383.279 3.439 20 0 GGADHM Cc1ccc(N2CCC[C@H](N[C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)nn1 ZINC000832937719 600749338 /nfs/dbraw/zinc/74/93/38/600749338.db2.gz BECLCQFNVPMZGK-GUYCJALGSA-N -1 3 395.290 3.476 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000382616277 600750678 /nfs/dbraw/zinc/75/06/78/600750678.db2.gz QMLZQKGPKCOTRW-GOSISDBHSA-N -1 3 375.513 3.328 20 0 GGADHM CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000832659893 600752844 /nfs/dbraw/zinc/75/28/44/600752844.db2.gz OSAQAANQQKLWIO-GYSYKLTISA-N -1 3 380.293 3.065 20 0 GGADHM Cn1cc(N2CCC[C@H](N[C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833044465 600755710 /nfs/dbraw/zinc/75/57/10/600755710.db2.gz AYPDUODKLKJGGV-BLLLJJGKSA-N -1 3 383.279 3.111 20 0 GGADHM O=C(CCSc1ccccc1F)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826408170 607466979 /nfs/dbraw/zinc/46/69/79/607466979.db2.gz SLTFPZIZLALERD-UHFFFAOYSA-N -1 3 395.423 3.070 20 0 GGADHM O=C(CCSc1ccccc1F)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826408170 607466980 /nfs/dbraw/zinc/46/69/80/607466980.db2.gz SLTFPZIZLALERD-UHFFFAOYSA-N -1 3 395.423 3.070 20 0 GGADHM C[C@@](O)(c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1)C(F)(F)F ZINC000820468703 607467358 /nfs/dbraw/zinc/46/73/58/607467358.db2.gz VYTVWEPDWXNQIL-MRXNPFEDSA-N -1 3 382.317 3.355 20 0 GGADHM C[C@@](O)(c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1)C(F)(F)F ZINC000820468703 607467360 /nfs/dbraw/zinc/46/73/60/607467360.db2.gz VYTVWEPDWXNQIL-MRXNPFEDSA-N -1 3 382.317 3.355 20 0 GGADHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(Cl)c(Cl)c1 ZINC000826460892 607468631 /nfs/dbraw/zinc/46/86/31/607468631.db2.gz WYZWVUSDWUSWNC-UHFFFAOYSA-N -1 3 386.202 3.369 20 0 GGADHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(Cl)c(Cl)c1 ZINC000826460892 607468633 /nfs/dbraw/zinc/46/86/33/607468633.db2.gz WYZWVUSDWUSWNC-UHFFFAOYSA-N -1 3 386.202 3.369 20 0 GGADHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000830792560 600800816 /nfs/dbraw/zinc/80/08/16/600800816.db2.gz VHTWCUMRRYVQDO-AWEZNQCLSA-N -1 3 398.887 3.358 20 0 GGADHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000573330961 600816869 /nfs/dbraw/zinc/81/68/69/600816869.db2.gz HDDIVNZPVLZKGR-UHFFFAOYSA-N -1 3 377.824 3.320 20 0 GGADHM O=C([O-])c1ccc(OCCN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000833321585 600819865 /nfs/dbraw/zinc/81/98/65/600819865.db2.gz IVRLZJOQSWRQGJ-CALCHBBNSA-N -1 3 386.879 3.485 20 0 GGADHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000826875836 600820778 /nfs/dbraw/zinc/82/07/78/600820778.db2.gz JIIOLZCWCVVRTG-UHFFFAOYSA-N -1 3 393.228 3.099 20 0 GGADHM CCCCNC(=O)[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829395000 600821897 /nfs/dbraw/zinc/82/18/97/600821897.db2.gz DAMNQOFGXMOALQ-HNNXBMFYSA-N -1 3 382.888 3.045 20 0 GGADHM Cc1nc(C)n(C[C@H]2CCCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000832995319 600827755 /nfs/dbraw/zinc/82/77/55/600827755.db2.gz CZTQVLCWSGRIHB-HNNXBMFYSA-N -1 3 392.887 3.038 20 0 GGADHM COc1ccc([C@@H](CO)N(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000832240762 600829935 /nfs/dbraw/zinc/82/99/35/600829935.db2.gz HJOCYDWWVQBQGJ-QGZVFWFLSA-N -1 3 379.840 3.091 20 0 GGADHM O=C(Nc1cc(Cl)[nH]n1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826451854 607472011 /nfs/dbraw/zinc/47/20/11/607472011.db2.gz ZDHBPKFQVOJVIO-UHFFFAOYSA-N -1 3 381.783 3.288 20 0 GGADHM O=C([O-])CCN(CC(=O)N(c1ccccc1)C1CCCCC1)C1CCOCC1 ZINC000647366525 600859288 /nfs/dbraw/zinc/85/92/88/600859288.db2.gz QXEUKQFHIQCDFY-UHFFFAOYSA-N -1 3 388.508 3.308 20 0 GGADHM COc1cccc(-c2nc(CN(CCC(=O)[O-])C3CCOCC3)cs2)c1 ZINC000579591623 600859382 /nfs/dbraw/zinc/85/93/82/600859382.db2.gz FVNVORIGUPZUNZ-UHFFFAOYSA-N -1 3 376.478 3.274 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000831918107 600863115 /nfs/dbraw/zinc/86/31/15/600863115.db2.gz LHUJQTCLJHKUPY-DJIMGWMZSA-N -1 3 389.448 3.199 20 0 GGADHM C[C@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000827718734 600864087 /nfs/dbraw/zinc/86/40/87/600864087.db2.gz XCTUOSLGSKTYLG-HNAYVOBHSA-N -1 3 390.505 3.194 20 0 GGADHM C[C@@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000827718733 600864218 /nfs/dbraw/zinc/86/42/18/600864218.db2.gz XCTUOSLGSKTYLG-DNVCBOLYSA-N -1 3 390.505 3.194 20 0 GGADHM C[C@@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000827718732 600864366 /nfs/dbraw/zinc/86/43/66/600864366.db2.gz XCTUOSLGSKTYLG-BEFAXECRSA-N -1 3 390.505 3.194 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000833186524 600916862 /nfs/dbraw/zinc/91/68/62/600916862.db2.gz MVJDQZRKKBSRHI-IAGOWNOFSA-N -1 3 376.522 3.107 20 0 GGADHM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000827958257 600920251 /nfs/dbraw/zinc/92/02/51/600920251.db2.gz RTXVMMOYFTWCGA-XHSDSOJGSA-N -1 3 385.464 3.335 20 0 GGADHM C[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828279423 600961562 /nfs/dbraw/zinc/96/15/62/600961562.db2.gz ZZYZMBAXMKJIIJ-SFHVURJKSA-N -1 3 380.488 3.440 20 0 GGADHM CCc1[nH]c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000830183734 600961686 /nfs/dbraw/zinc/96/16/86/600961686.db2.gz MDQBPWXFXPAFJZ-OAHLLOKOSA-N -1 3 383.492 3.320 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000736810236 600981292 /nfs/dbraw/zinc/98/12/92/600981292.db2.gz SWWSTSVSGVKYCW-ZPMCFJSWSA-N -1 3 392.499 3.150 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000736810232 600981505 /nfs/dbraw/zinc/98/15/05/600981505.db2.gz SWWSTSVSGVKYCW-WTNAPCKOSA-N -1 3 392.499 3.150 20 0 GGADHM Cc1ccc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)s1 ZINC000832910968 600993899 /nfs/dbraw/zinc/99/38/99/600993899.db2.gz DWMNQHMKUDERFG-QGZVFWFLSA-N -1 3 376.453 3.216 20 0 GGADHM CC[C@](NCc1ccc(S(=O)(=O)C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000828989310 601004097 /nfs/dbraw/zinc/00/40/97/601004097.db2.gz WSYLCVYDDNZKSR-GOSISDBHSA-N -1 3 383.416 3.163 20 0 GGADHM CC[C@@](NCc1ccc(S(=O)(=O)C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000828989311 601004177 /nfs/dbraw/zinc/00/41/77/601004177.db2.gz WSYLCVYDDNZKSR-SFHVURJKSA-N -1 3 383.416 3.163 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(n2cc(Br)cn2)CC1 ZINC000833171580 601006977 /nfs/dbraw/zinc/00/69/77/601006977.db2.gz CRVQZDMVHDTDMZ-OAHLLOKOSA-N -1 3 382.233 3.248 20 0 GGADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000833172994 601015138 /nfs/dbraw/zinc/01/51/38/601015138.db2.gz YUPVXLQWCWKSJS-PBHICJAKSA-N -1 3 387.307 3.306 20 0 GGADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000833172995 601015143 /nfs/dbraw/zinc/01/51/43/601015143.db2.gz YUPVXLQWCWKSJS-RHSMWYFYSA-N -1 3 387.307 3.306 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642345 601021739 /nfs/dbraw/zinc/02/17/39/601021739.db2.gz JRMBGAOOIMINLM-RYUDHWBXSA-N -1 3 376.375 3.162 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828278060 601032712 /nfs/dbraw/zinc/03/27/12/601032712.db2.gz ODBZZFCUYXNKJK-QGZVFWFLSA-N -1 3 381.476 3.442 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000832915186 601047858 /nfs/dbraw/zinc/04/78/58/601047858.db2.gz HYVOHEFSWAGHBO-SFHVURJKSA-N -1 3 395.503 3.228 20 0 GGADHM Cc1ccc([C@@H]2C[C@H](C)CCN2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000832931503 601047869 /nfs/dbraw/zinc/04/78/69/601047869.db2.gz ZDHPOZYXYOQSHZ-BQHKEAAHSA-N -1 3 378.494 3.253 20 0 GGADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000662232061 601050334 /nfs/dbraw/zinc/05/03/34/601050334.db2.gz FLVWMBVNCOYLDZ-OAQYLSRUSA-N -1 3 378.472 3.497 20 0 GGADHM COc1ccc([C@H](N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C2CC2)cc1 ZINC000832245711 601052876 /nfs/dbraw/zinc/05/28/76/601052876.db2.gz OOIWLFQKGXIZKO-IAGOWNOFSA-N -1 3 386.473 3.301 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000832916750 601116314 /nfs/dbraw/zinc/11/63/14/601116314.db2.gz RHFHTTZMNYVVMV-HXUWFJFHSA-N -1 3 395.503 3.228 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)c1 ZINC000738733354 601125756 /nfs/dbraw/zinc/12/57/56/601125756.db2.gz SYZRRJUTUWTGTJ-UHFFFAOYSA-N -1 3 381.476 3.152 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000831583979 601134717 /nfs/dbraw/zinc/13/47/17/601134717.db2.gz BPAZLDAFXLFZTA-NRFANRHFSA-N -1 3 383.448 3.004 20 0 GGADHM Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)c1 ZINC000832926607 601153452 /nfs/dbraw/zinc/15/34/52/601153452.db2.gz VTLFDLHITHNUQW-FQEVSTJZSA-N -1 3 387.505 3.284 20 0 GGADHM COC[C@@](C)(CCO)NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000831590876 601201698 /nfs/dbraw/zinc/20/16/98/601201698.db2.gz ONMMWLHXQNFQRN-HSZRJFAPSA-N -1 3 394.471 3.477 20 0 GGADHM COC[C@](C)(CCO)NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000831590878 601201871 /nfs/dbraw/zinc/20/18/71/601201871.db2.gz ONMMWLHXQNFQRN-QHCPKHFHSA-N -1 3 394.471 3.477 20 0 GGADHM Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000832970536 601202081 /nfs/dbraw/zinc/20/20/81/601202081.db2.gz HJTYYQYITPFFQR-HNAYVOBHSA-N -1 3 383.448 3.003 20 0 GGADHM Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000832970533 601202193 /nfs/dbraw/zinc/20/21/93/601202193.db2.gz HJTYYQYITPFFQR-BEFAXECRSA-N -1 3 383.448 3.003 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000826052407 601203605 /nfs/dbraw/zinc/20/36/05/601203605.db2.gz GKXZKAPGVCSFNR-PXAZEXFGSA-N -1 3 391.265 3.439 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000826051992 601204648 /nfs/dbraw/zinc/20/46/48/601204648.db2.gz GABCZWVTIZTRDQ-DIFFPNOSSA-N -1 3 387.436 3.426 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000826053557 601205942 /nfs/dbraw/zinc/20/59/42/601205942.db2.gz JLNNGZCVWXSRFM-KKSFZXQISA-N -1 3 381.476 3.277 20 0 GGADHM COc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1Cl ZINC000832394290 601206474 /nfs/dbraw/zinc/20/64/74/601206474.db2.gz QTHCRJYQLAZKDO-XIKOKIGWSA-N -1 3 376.840 3.339 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000823460840 607491752 /nfs/dbraw/zinc/49/17/52/607491752.db2.gz XMNVYCPPBJOGGV-UHFFFAOYSA-N -1 3 388.884 3.245 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000823460840 607491753 /nfs/dbraw/zinc/49/17/53/607491753.db2.gz XMNVYCPPBJOGGV-UHFFFAOYSA-N -1 3 388.884 3.245 20 0 GGADHM CCN1CCN(Cc2ccccc2CNc2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC000829776353 601248567 /nfs/dbraw/zinc/24/85/67/601248567.db2.gz MWEROUGRKIGEGX-UHFFFAOYSA-N -1 3 394.928 3.244 20 0 GGADHM COCCC1(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000821686329 607498708 /nfs/dbraw/zinc/49/87/08/607498708.db2.gz LALZZAOMLRLMOG-UHFFFAOYSA-N -1 3 393.447 3.201 20 0 GGADHM COCCC1(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000821686329 607498710 /nfs/dbraw/zinc/49/87/10/607498710.db2.gz LALZZAOMLRLMOG-UHFFFAOYSA-N -1 3 393.447 3.201 20 0 GGADHM COCCC1(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000821686322 607499020 /nfs/dbraw/zinc/49/90/20/607499020.db2.gz KNNSOKUOBROPTG-UHFFFAOYSA-N -1 3 380.404 3.381 20 0 GGADHM COCCC1(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000821686322 607499022 /nfs/dbraw/zinc/49/90/22/607499022.db2.gz KNNSOKUOBROPTG-UHFFFAOYSA-N -1 3 380.404 3.381 20 0 GGADHM CC(C)OCCN1CCC(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000827027513 601312111 /nfs/dbraw/zinc/31/21/11/601312111.db2.gz NJROHZLTDFMZDI-UHFFFAOYSA-N -1 3 391.512 3.060 20 0 GGADHM Cn1cc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833045403 601324317 /nfs/dbraw/zinc/32/43/17/601324317.db2.gz LJRIWEKXZUVFRT-SFHVURJKSA-N -1 3 395.381 3.116 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000830923684 601332185 /nfs/dbraw/zinc/33/21/85/601332185.db2.gz QEKSVDJPEQLQQI-UHFFFAOYSA-N -1 3 380.488 3.440 20 0 GGADHM COCCC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000821686617 607501037 /nfs/dbraw/zinc/50/10/37/607501037.db2.gz YSYKINDHEXLJEG-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM COCCC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000821686617 607501038 /nfs/dbraw/zinc/50/10/38/607501038.db2.gz YSYKINDHEXLJEG-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM COc1ccc(-c2cc(CONC(=N)COc3cccc(C(=O)[O-])c3)on2)cc1 ZINC000832115886 601351477 /nfs/dbraw/zinc/35/14/77/601351477.db2.gz BISUWVXMYWIVFR-UHFFFAOYSA-N -1 3 397.387 3.126 20 0 GGADHM Cc1nc2ccc(Br)cc2c(N2CCO[C@@H](CC(=O)[O-])C2)c1C ZINC000833004746 601382130 /nfs/dbraw/zinc/38/21/30/601382130.db2.gz XXDHIWFDLBBLMK-ZDUSSCGKSA-N -1 3 379.254 3.294 20 0 GGADHM Cc1c(C(=O)[O-])sc2[n-]c(C[NH2+]C(C)(C)CCc3ccccc3)nc(=O)c12 ZINC000832852862 601388768 /nfs/dbraw/zinc/38/87/68/601388768.db2.gz AEVZXTCDQRRIKL-UHFFFAOYSA-N -1 3 385.489 3.492 20 0 GGADHM CN(CCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)Cc1ccccc1 ZINC000830785411 601412822 /nfs/dbraw/zinc/41/28/22/601412822.db2.gz SHZJPXOVHOOUOF-SFHVURJKSA-N -1 3 389.883 3.287 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2ccccc2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375061 607507229 /nfs/dbraw/zinc/50/72/29/607507229.db2.gz XEXISXYYHLSGIY-ZDUSSCGKSA-N -1 3 386.419 3.206 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2ccccc2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375061 607507231 /nfs/dbraw/zinc/50/72/31/607507231.db2.gz XEXISXYYHLSGIY-ZDUSSCGKSA-N -1 3 386.419 3.206 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000831579245 601490791 /nfs/dbraw/zinc/49/07/91/601490791.db2.gz YHQCWNAOOGMPKI-AWEZNQCLSA-N -1 3 383.659 3.055 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000827717228 601499620 /nfs/dbraw/zinc/49/96/20/601499620.db2.gz FXTYWDFUPOGVOZ-SJORKVTESA-N -1 3 395.503 3.341 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827717225 601499794 /nfs/dbraw/zinc/49/97/94/601499794.db2.gz FXTYWDFUPOGVOZ-DLBZAZTESA-N -1 3 395.503 3.341 20 0 GGADHM CCCCn1ncc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1C ZINC000825301246 607510381 /nfs/dbraw/zinc/51/03/81/607510381.db2.gz KPWGORQSOQYZFJ-GOSISDBHSA-N -1 3 397.483 3.214 20 0 GGADHM CCCCn1ncc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1C ZINC000825301246 607510383 /nfs/dbraw/zinc/51/03/83/607510383.db2.gz KPWGORQSOQYZFJ-GOSISDBHSA-N -1 3 397.483 3.214 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828424013 601513579 /nfs/dbraw/zinc/51/35/79/601513579.db2.gz NVQRJHQJIKNJPB-RVKKMQEKSA-N -1 3 399.516 3.353 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424015 601514291 /nfs/dbraw/zinc/51/42/91/601514291.db2.gz NVQRJHQJIKNJPB-VKJFTORMSA-N -1 3 399.516 3.353 20 0 GGADHM CCOc1ccc(-c2nc(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1OC ZINC000830054246 601523993 /nfs/dbraw/zinc/52/39/93/601523993.db2.gz WRYKANOVYPRANX-WFASDCNBSA-N -1 3 376.478 3.370 20 0 GGADHM CCOc1ccc(-c2nc(CN3C[C@H](C)[C@H](C(=O)[O-])C3)cs2)cc1OC ZINC000830054245 601524123 /nfs/dbraw/zinc/52/41/23/601524123.db2.gz WRYKANOVYPRANX-SWLSCSKDSA-N -1 3 376.478 3.370 20 0 GGADHM C[C@@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000422593745 601529393 /nfs/dbraw/zinc/52/93/93/601529393.db2.gz VGMSVELWRHAXJF-VMRPVKRXSA-N -1 3 384.451 3.026 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421440 601529893 /nfs/dbraw/zinc/52/98/93/601529893.db2.gz FSORZJDXVRJCOV-FMKPAKJESA-N -1 3 388.464 3.098 20 0 GGADHM Cc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832863983 601532928 /nfs/dbraw/zinc/53/29/28/601532928.db2.gz ZJJDJWAMCAENDM-FQEVSTJZSA-N -1 3 396.487 3.334 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000828430255 601538618 /nfs/dbraw/zinc/53/86/18/601538618.db2.gz AORGBDFHYDSTJR-WNYOCNMUSA-N -1 3 386.879 3.198 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000833130861 601546689 /nfs/dbraw/zinc/54/66/89/601546689.db2.gz ZYHFZNZJIAIPEJ-FXAWDEMLSA-N -1 3 378.428 3.453 20 0 GGADHM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000833196414 601568799 /nfs/dbraw/zinc/56/87/99/601568799.db2.gz SYHZTCCTOWPIEH-UWCCDQBKSA-N -1 3 378.469 3.244 20 0 GGADHM O=C([O-])C1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCCC1 ZINC000833173597 601604221 /nfs/dbraw/zinc/60/42/21/601604221.db2.gz FAORLVJELSIPKD-LJQANCHMSA-N -1 3 398.425 3.202 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2)CC1 ZINC000829781010 601607933 /nfs/dbraw/zinc/60/79/33/601607933.db2.gz OFLQEEWLPQATMX-LAUBAEHRSA-N -1 3 395.503 3.020 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000829781009 601608122 /nfs/dbraw/zinc/60/81/22/601608122.db2.gz OFLQEEWLPQATMX-DYESRHJHSA-N -1 3 395.503 3.020 20 0 GGADHM Cc1cc(CNc2ccccc2CN2CCC(O)CC2)cc(C)c1OCC(=O)[O-] ZINC000832885272 601614142 /nfs/dbraw/zinc/61/41/42/601614142.db2.gz LFIAAZOMTSGHEL-UHFFFAOYSA-N -1 3 398.503 3.336 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1F ZINC000833313277 601620695 /nfs/dbraw/zinc/62/06/95/601620695.db2.gz RJDLABAODAECJK-ZDUSSCGKSA-N -1 3 391.830 3.423 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000833032476 601623452 /nfs/dbraw/zinc/62/34/52/601623452.db2.gz HCGUIQCDPLAZJK-UHFFFAOYSA-N -1 3 392.546 3.387 20 0 GGADHM Cc1cc(C(=O)NC2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)c(C)o1 ZINC000832862938 601628007 /nfs/dbraw/zinc/62/80/07/601628007.db2.gz GJBAOLOMZLBOCX-UHFFFAOYSA-N -1 3 376.478 3.359 20 0 GGADHM O=C([O-])CCCCNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000666558660 601628040 /nfs/dbraw/zinc/62/80/40/601628040.db2.gz IXRXAIJXGDWFMJ-UHFFFAOYSA-N -1 3 387.524 3.472 20 0 GGADHM O=C([O-])Nc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000833291780 601630803 /nfs/dbraw/zinc/63/08/03/601630803.db2.gz SJVWIAOCBDLFDQ-UHFFFAOYSA-N -1 3 383.448 3.233 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1ccccc1 ZINC000826054782 601652625 /nfs/dbraw/zinc/65/26/25/601652625.db2.gz QNFWKCDWNBQNJS-KKSFZXQISA-N -1 3 398.507 3.454 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000826045195 601652906 /nfs/dbraw/zinc/65/29/06/601652906.db2.gz QKHDVGXBSKGSDE-BFUOFWGJSA-N -1 3 392.858 3.489 20 0 GGADHM O=C(CCCNc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccccc21 ZINC000826406408 607519877 /nfs/dbraw/zinc/51/98/77/607519877.db2.gz VVTAAOAQRXDNDD-UHFFFAOYSA-N -1 3 382.855 3.302 20 0 GGADHM O=C(CCCNc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccccc21 ZINC000826406408 607519879 /nfs/dbraw/zinc/51/98/79/607519879.db2.gz VVTAAOAQRXDNDD-UHFFFAOYSA-N -1 3 382.855 3.302 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000830609089 601724240 /nfs/dbraw/zinc/72/42/40/601724240.db2.gz SQYRMZRDCGFNSY-UHFFFAOYSA-N -1 3 376.482 3.111 20 0 GGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827592910 601727677 /nfs/dbraw/zinc/72/76/77/601727677.db2.gz WKAQVQZRCQIJFJ-HXOBKFHXSA-N -1 3 398.478 3.240 20 0 GGADHM CCSc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccn1 ZINC000830168696 601727779 /nfs/dbraw/zinc/72/77/79/601727779.db2.gz GDKHKXBIXDBLJN-NRFANRHFSA-N -1 3 399.516 3.043 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000833128990 601729921 /nfs/dbraw/zinc/72/99/21/601729921.db2.gz QMGPPIAFPMWWAE-AWRGLXIESA-N -1 3 392.499 3.101 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CSc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC000833128989 601729937 /nfs/dbraw/zinc/72/99/37/601729937.db2.gz QLQFIUVCCCWCDX-XMSQKQJNSA-N -1 3 396.512 3.112 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000833128993 601730604 /nfs/dbraw/zinc/73/06/04/601730604.db2.gz QMGPPIAFPMWWAE-ZFGGDYGUSA-N -1 3 392.499 3.101 20 0 GGADHM Cc1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832930722 601730858 /nfs/dbraw/zinc/73/08/58/601730858.db2.gz LEOJMHJCICCNDF-QHCPKHFHSA-N -1 3 380.488 3.163 20 0 GGADHM O=C([O-])[C@]1(NC(=O)/C=C/c2cccc(F)c2)CCCN(Cc2ccccc2)C1 ZINC000833094704 601730913 /nfs/dbraw/zinc/73/09/13/601730913.db2.gz JZDXYOQSJUHJNG-NEQMZLFVSA-N -1 3 382.435 3.075 20 0 GGADHM CSc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832774549 601731088 /nfs/dbraw/zinc/73/10/88/601731088.db2.gz OOWOHBSHERRVKP-OAQYLSRUSA-N -1 3 384.501 3.258 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2coc3ccccc23)CCCN(Cc2ccccc2)C1 ZINC000833129276 601731734 /nfs/dbraw/zinc/73/17/34/601731734.db2.gz ZBWGBSXGRZBFAN-QFIPXVFZSA-N -1 3 378.428 3.282 20 0 GGADHM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC000825995045 601732528 /nfs/dbraw/zinc/73/25/28/601732528.db2.gz LMCIQACDUULRDX-ZHRRBRCNSA-N -1 3 384.451 3.165 20 0 GGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827586687 601734283 /nfs/dbraw/zinc/73/42/83/601734283.db2.gz SSRGCKXTPKXALK-SBUREZEXSA-N -1 3 398.478 3.240 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)/C=C/c2ccccc2F)CCCN(Cc2ccccc2)C1 ZINC000833094804 601734723 /nfs/dbraw/zinc/73/47/23/601734723.db2.gz KTQGDFOWLTXMBN-VDZCTEQFSA-N -1 3 382.435 3.075 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1F ZINC000833125759 601736055 /nfs/dbraw/zinc/73/60/55/601736055.db2.gz ZCPVHHJSCYZVBD-HNAYVOBHSA-N -1 3 388.414 3.119 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc3ncccc32)CCCN(Cc2ccccc2)C1 ZINC000833128423 601741287 /nfs/dbraw/zinc/74/12/87/601741287.db2.gz FQUCXZLBWAWTSN-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])CCCc1csc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000833228965 601742300 /nfs/dbraw/zinc/74/23/00/601742300.db2.gz KMTJCKSONTUBAG-MRXNPFEDSA-N -1 3 387.505 3.401 20 0 GGADHM CC[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000659393982 601824488 /nfs/dbraw/zinc/82/44/88/601824488.db2.gz HVSZFFUTWGPSJQ-FQEVSTJZSA-N -1 3 387.524 3.110 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccsc1 ZINC000659394140 601824580 /nfs/dbraw/zinc/82/45/80/601824580.db2.gz JVVJLLUUKMKSDX-KRWDZBQOSA-N -1 3 381.542 3.417 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)N2CCCC2)cc1 ZINC000659395718 601826158 /nfs/dbraw/zinc/82/61/58/601826158.db2.gz UYKSIHCLIRZOJN-HXUWFJFHSA-N -1 3 387.524 3.418 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)N2CCCC2)cc1 ZINC000659395717 601826195 /nfs/dbraw/zinc/82/61/95/601826195.db2.gz UYKSIHCLIRZOJN-FQEVSTJZSA-N -1 3 387.524 3.418 20 0 GGADHM O=C([O-])CCC1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000659395760 601826249 /nfs/dbraw/zinc/82/62/49/601826249.db2.gz VFWKTUMUXUZQHM-FQEVSTJZSA-N -1 3 387.524 3.328 20 0 GGADHM CN(Cc1ccsc1C(=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000830865158 601833678 /nfs/dbraw/zinc/83/36/78/601833678.db2.gz JYWAGOCMODNJTR-GFCCVEGCSA-N -1 3 389.395 3.337 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000825977944 601843486 /nfs/dbraw/zinc/84/34/86/601843486.db2.gz SLSXZWSOPNBBES-SBUREZEXSA-N -1 3 384.520 3.068 20 0 GGADHM O=C([O-])CCC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000662218695 601844281 /nfs/dbraw/zinc/84/42/81/601844281.db2.gz RTGABEWFDKBITK-UHFFFAOYSA-N -1 3 398.385 3.097 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)c1ccsc1 ZINC000666516341 601849318 /nfs/dbraw/zinc/84/93/18/601849318.db2.gz LWOJJSGDYHGHHG-QGZVFWFLSA-N -1 3 375.494 3.329 20 0 GGADHM C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000827742015 601852465 /nfs/dbraw/zinc/85/24/65/601852465.db2.gz ZRLWMILCILYBNR-GFCCVEGCSA-N -1 3 399.871 3.329 20 0 GGADHM CC[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000828988790 601852833 /nfs/dbraw/zinc/85/28/33/601852833.db2.gz FDVQHDIEZXWHDC-GOSISDBHSA-N -1 3 379.453 3.066 20 0 GGADHM COc1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826201836 607529908 /nfs/dbraw/zinc/52/99/08/607529908.db2.gz GDJQGGJILGJROK-UHFFFAOYSA-N -1 3 398.492 3.149 20 0 GGADHM COc1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826201836 607529909 /nfs/dbraw/zinc/52/99/09/607529909.db2.gz GDJQGGJILGJROK-UHFFFAOYSA-N -1 3 398.492 3.149 20 0 GGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCCN3C[C@@H](C)O[C@@H](C)C3)c12 ZINC000583027393 601858224 /nfs/dbraw/zinc/85/82/24/601858224.db2.gz MQFONHBTDUPMKX-TXEJJXNPSA-N -1 3 392.525 3.308 20 0 GGADHM Cc1cccc(C)c1OC[C@H](O)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832965317 601901987 /nfs/dbraw/zinc/90/19/87/601901987.db2.gz JNIOOVOIIQHWOO-RDTXWAMCSA-N -1 3 397.393 3.218 20 0 GGADHM CN(CCC(=O)Nc1cccc(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727189 601902508 /nfs/dbraw/zinc/90/25/08/601902508.db2.gz MCHYUSRKOXUCHQ-QGZVFWFLSA-N -1 3 384.329 3.329 20 0 GGADHM CN(CCc1nc(-c2ccccc2)no1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800684 601903296 /nfs/dbraw/zinc/90/32/96/601903296.db2.gz SVMKRNHUINKTNY-QGZVFWFLSA-N -1 3 391.349 3.454 20 0 GGADHM COC(=O)c1cccc(OCCN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000831453287 601903348 /nfs/dbraw/zinc/90/33/48/601903348.db2.gz MDXPAKXHLVLUHQ-QGZVFWFLSA-N -1 3 397.349 3.027 20 0 GGADHM CN(C[C@@H](O)c1ccc(F)c(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713519 601904346 /nfs/dbraw/zinc/90/43/46/601904346.db2.gz HENABHFEIXYADH-GDBMZVCRSA-N -1 3 375.293 3.173 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826021801 601917636 /nfs/dbraw/zinc/91/76/36/601917636.db2.gz SYPHVNZSCGPLPE-JLTOFOAXSA-N -1 3 388.464 3.242 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826021809 601917705 /nfs/dbraw/zinc/91/77/05/601917705.db2.gz SYPHVNZSCGPLPE-XOBRGWDASA-N -1 3 388.464 3.242 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826021804 601917725 /nfs/dbraw/zinc/91/77/25/601917725.db2.gz SYPHVNZSCGPLPE-VBKZILBWSA-N -1 3 388.464 3.242 20 0 GGADHM C[C@H]1C[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000828178037 601930300 /nfs/dbraw/zinc/93/03/00/601930300.db2.gz YZVOAJWBHIAJSD-YWZLYKJASA-N -1 3 379.460 3.073 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000828178034 601930592 /nfs/dbraw/zinc/93/05/92/601930592.db2.gz YZVOAJWBHIAJSD-FOIQADDNSA-N -1 3 379.460 3.073 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263157659 601937704 /nfs/dbraw/zinc/93/77/04/601937704.db2.gz OIFMHIKQRMWFDO-KSFYIVLOSA-N -1 3 382.460 3.389 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000263109973 601941979 /nfs/dbraw/zinc/94/19/79/601941979.db2.gz JNGJGUYHXBNRRQ-FPOVZHCZSA-N -1 3 384.501 3.019 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000263109976 601942020 /nfs/dbraw/zinc/94/20/20/601942020.db2.gz JNGJGUYHXBNRRQ-TZIWHRDSSA-N -1 3 384.501 3.019 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])s1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000830819466 601960071 /nfs/dbraw/zinc/96/00/71/601960071.db2.gz NWJZAPPZDJAANZ-LLVKDONJSA-N -1 3 389.395 3.337 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])s1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000830819467 601960123 /nfs/dbraw/zinc/96/01/23/601960123.db2.gz NWJZAPPZDJAANZ-NSHDSACASA-N -1 3 389.395 3.337 20 0 GGADHM Cc1cccc(C(=O)NCCN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832962975 601973082 /nfs/dbraw/zinc/97/30/82/601973082.db2.gz IKMJVCKXQMGBSH-MRXNPFEDSA-N -1 3 381.259 3.447 20 0 GGADHM COc1ccc(C(=O)NCCN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000832174711 601973293 /nfs/dbraw/zinc/97/32/93/601973293.db2.gz LEMSZCVAKSRPFF-MRXNPFEDSA-N -1 3 397.258 3.147 20 0 GGADHM O=C([O-])[C@H](NCCNC(=O)c1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000833141479 601973758 /nfs/dbraw/zinc/97/37/58/601973758.db2.gz XJHKBKVPCGORCK-OAHLLOKOSA-N -1 3 385.222 3.278 20 0 GGADHM Cc1ccc(C(=O)NCCN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000832912184 601974368 /nfs/dbraw/zinc/97/43/68/601974368.db2.gz XFUZNXSOSIDKLQ-MRXNPFEDSA-N -1 3 381.259 3.447 20 0 GGADHM O=C([O-])[C@@H](NCCn1c(=O)oc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833166888 601975179 /nfs/dbraw/zinc/97/51/79/601975179.db2.gz WKJDKWSKNAXNIB-HNNXBMFYSA-N -1 3 381.215 3.317 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3cccc(CC(=O)[O-])c3)c(C)c2)CC1 ZINC000737853154 601983068 /nfs/dbraw/zinc/98/30/68/601983068.db2.gz KIDRRYBMUFJSBO-UHFFFAOYSA-N -1 3 396.491 3.408 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cnn1CCC(C)C ZINC000826234777 607538313 /nfs/dbraw/zinc/53/83/13/607538313.db2.gz NKLVUCRYKAAOOS-UHFFFAOYSA-N -1 3 397.483 3.457 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cnn1CCC(C)C ZINC000826234777 607538314 /nfs/dbraw/zinc/53/83/14/607538314.db2.gz NKLVUCRYKAAOOS-UHFFFAOYSA-N -1 3 397.483 3.457 20 0 GGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000833137495 602034987 /nfs/dbraw/zinc/03/49/87/602034987.db2.gz APIFEUDPSMQNNN-BLLLJJGKSA-N -1 3 385.291 3.357 20 0 GGADHM O=C([O-])c1cccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000669497236 602035371 /nfs/dbraw/zinc/03/53/71/602035371.db2.gz RTFCUNLARURWAS-UHFFFAOYSA-N -1 3 399.516 3.298 20 0 GGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000833137499 602035477 /nfs/dbraw/zinc/03/54/77/602035477.db2.gz APIFEUDPSMQNNN-MLGOLLRUSA-N -1 3 385.291 3.357 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828175933 602036910 /nfs/dbraw/zinc/03/69/10/602036910.db2.gz FAGKBLVYCOOLSA-APWZRJJASA-N -1 3 397.475 3.325 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828175935 602036964 /nfs/dbraw/zinc/03/69/64/602036964.db2.gz FAGKBLVYCOOLSA-QFBILLFUSA-N -1 3 397.475 3.325 20 0 GGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000833170255 602042850 /nfs/dbraw/zinc/04/28/50/602042850.db2.gz GMLPRHBKHWHLQV-MLGOLLRUSA-N -1 3 385.291 3.454 20 0 GGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCN(CC2CCOCC2)CC1 ZINC000833173012 602044281 /nfs/dbraw/zinc/04/42/81/602044281.db2.gz ZEDAMTBCXZPCGP-KRWDZBQOSA-N -1 3 387.307 3.163 20 0 GGADHM Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863252 602049265 /nfs/dbraw/zinc/04/92/65/602049265.db2.gz MJAWOKPOUKBQAH-XLIONFOSSA-N -1 3 396.487 3.160 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1)CCC2 ZINC000566360726 602053876 /nfs/dbraw/zinc/05/38/76/602053876.db2.gz AFUUAPRGEMMQSP-PBHICJAKSA-N -1 3 390.505 3.153 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2cccs2)CC1 ZINC000263142452 602055732 /nfs/dbraw/zinc/05/57/32/602055732.db2.gz ZXPDCZAJXYCZQF-HNAYVOBHSA-N -1 3 379.526 3.027 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)c2cccs2)CC1 ZINC000263142446 602056056 /nfs/dbraw/zinc/05/60/56/602056056.db2.gz ZXPDCZAJXYCZQF-BEFAXECRSA-N -1 3 379.526 3.027 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826300929 607545116 /nfs/dbraw/zinc/54/51/16/607545116.db2.gz LQPPVPQQGGXRSO-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826300929 607545117 /nfs/dbraw/zinc/54/51/17/607545117.db2.gz LQPPVPQQGGXRSO-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM CN1CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000830941198 602112491 /nfs/dbraw/zinc/11/24/91/602112491.db2.gz UQBSIPIOJMGOQA-QGZVFWFLSA-N -1 3 383.448 3.180 20 0 GGADHM COC[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826150986 607550130 /nfs/dbraw/zinc/55/01/30/607550130.db2.gz QOTSKYLVJREDPU-INIZCTEOSA-N -1 3 395.488 3.173 20 0 GGADHM COC[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826150986 607550132 /nfs/dbraw/zinc/55/01/32/607550132.db2.gz QOTSKYLVJREDPU-INIZCTEOSA-N -1 3 395.488 3.173 20 0 GGADHM COc1ccc(CSc2nnc(Cc3cccc(F)c3)o2)cc1-c1nnn[n-]1 ZINC000826208157 607546290 /nfs/dbraw/zinc/54/62/90/607546290.db2.gz WJWCOAPUNXQBJS-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1ccc(CSc2nnc(Cc3cccc(F)c3)o2)cc1-c1nn[n-]n1 ZINC000826208157 607546291 /nfs/dbraw/zinc/54/62/91/607546291.db2.gz WJWCOAPUNXQBJS-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(OC)c(OC)c2)C(=O)[O-])c1 ZINC000832048993 602166775 /nfs/dbraw/zinc/16/67/75/602166775.db2.gz CEQMALNHHDHNKR-BLVKFPJESA-N -1 3 375.421 3.198 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2cccc(Br)c2)C(=O)[O-])c1 ZINC000832057308 602170295 /nfs/dbraw/zinc/17/02/95/602170295.db2.gz OBAIHMFUBKXMHD-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@@H]2CCCc3c2cnn3C(C)(C)C)C(=O)[O-])c1 ZINC000832048860 602173745 /nfs/dbraw/zinc/17/37/45/602173745.db2.gz BLDARYMMQJZOCI-IEBWSBKVSA-N -1 3 387.480 3.448 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2cc(N(C)C)nc3ccccc23)C(=O)[O-])c1 ZINC000832056936 602176701 /nfs/dbraw/zinc/17/67/01/602176701.db2.gz KUKPHTHJGZBEEM-OAQYLSRUSA-N -1 3 395.459 3.234 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccccc2-n2cccn2)C(=O)[O-])c1 ZINC000832051518 602177790 /nfs/dbraw/zinc/17/77/90/602177790.db2.gz WCBCMOYEHNOBJW-XOBRGWDASA-N -1 3 381.432 3.366 20 0 GGADHM CN(C)CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCCC1 ZINC000830604099 602206897 /nfs/dbraw/zinc/20/68/97/602206897.db2.gz GXSOICDVCHVVQZ-UHFFFAOYSA-N -1 3 385.411 3.324 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826200512 607553035 /nfs/dbraw/zinc/55/30/35/607553035.db2.gz TZOXUSFQJHETDE-UHFFFAOYSA-N -1 3 392.341 3.216 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826200512 607553037 /nfs/dbraw/zinc/55/30/37/607553037.db2.gz TZOXUSFQJHETDE-UHFFFAOYSA-N -1 3 392.341 3.216 20 0 GGADHM C[C@H](CCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824713383 607553232 /nfs/dbraw/zinc/55/32/32/607553232.db2.gz HYCBKRRVXIVUCT-HUUCEWRRSA-N -1 3 393.447 3.321 20 0 GGADHM C[C@H](CCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824713383 607553234 /nfs/dbraw/zinc/55/32/34/607553234.db2.gz HYCBKRRVXIVUCT-HUUCEWRRSA-N -1 3 393.447 3.321 20 0 GGADHM Cc1nnc([C@H]2CCCN(Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)[nH]1 ZINC000832997237 602234126 /nfs/dbraw/zinc/23/41/26/602234126.db2.gz USCPZEVOEJWQBH-HNNXBMFYSA-N -1 3 383.477 3.314 20 0 GGADHM Cc1nnc([C@H]2CCCN(Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)[nH]1 ZINC000832996933 602234381 /nfs/dbraw/zinc/23/43/81/602234381.db2.gz JNOUIGYAKJTHFR-HNNXBMFYSA-N -1 3 383.477 3.314 20 0 GGADHM COc1cc(OC)cc(N2CCCN(Cc3ccc(C(=O)[O-])s3)CC2)c1 ZINC000832088718 602241977 /nfs/dbraw/zinc/24/19/77/602241977.db2.gz SLJQWOHXLHOVIA-UHFFFAOYSA-N -1 3 376.478 3.176 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1Br ZINC000826466080 607555565 /nfs/dbraw/zinc/55/55/65/607555565.db2.gz OFJOPXKXZYPTSF-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1Br ZINC000826466080 607555567 /nfs/dbraw/zinc/55/55/67/607555567.db2.gz OFJOPXKXZYPTSF-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825247098 607557651 /nfs/dbraw/zinc/55/76/51/607557651.db2.gz AOZVFSZHQZYNFX-HNNXBMFYSA-N -1 3 397.435 3.157 20 0 GGADHM CCC[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825247098 607557653 /nfs/dbraw/zinc/55/76/53/607557653.db2.gz AOZVFSZHQZYNFX-HNNXBMFYSA-N -1 3 397.435 3.157 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C[C@@H](O)C(C)C ZINC000826272133 607557914 /nfs/dbraw/zinc/55/79/14/607557914.db2.gz VWTDAYRGIJNXPW-LJQANCHMSA-N -1 3 395.463 3.100 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C[C@@H](O)C(C)C ZINC000826272133 607557916 /nfs/dbraw/zinc/55/79/16/607557916.db2.gz VWTDAYRGIJNXPW-LJQANCHMSA-N -1 3 395.463 3.100 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C)nc1N(C)C ZINC000825317789 607561480 /nfs/dbraw/zinc/56/14/80/607561480.db2.gz BJLVSHZMANKNOP-UHFFFAOYSA-N -1 3 394.483 3.080 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C)nc1N(C)C ZINC000825317789 607561482 /nfs/dbraw/zinc/56/14/82/607561482.db2.gz BJLVSHZMANKNOP-UHFFFAOYSA-N -1 3 394.483 3.080 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825782645 607564160 /nfs/dbraw/zinc/56/41/60/607564160.db2.gz KBQBJBDNOKOJFL-KDOFPFPSSA-N -1 3 393.495 3.434 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825782645 607564161 /nfs/dbraw/zinc/56/41/61/607564161.db2.gz KBQBJBDNOKOJFL-KDOFPFPSSA-N -1 3 393.495 3.434 20 0 GGADHM CC(C)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC000827129836 602396132 /nfs/dbraw/zinc/39/61/32/602396132.db2.gz WDMMMQJCOLQILI-QFIPXVFZSA-N -1 3 381.476 3.054 20 0 GGADHM OC1CCN(c2ccc(NCc3coc4ccccc34)cc2-c2nnn[n-]2)CC1 ZINC000826507650 607566637 /nfs/dbraw/zinc/56/66/37/607566637.db2.gz SRFMEXUJSPCIKR-UHFFFAOYSA-N -1 3 390.447 3.186 20 0 GGADHM OC1CCN(c2ccc(NCc3coc4ccccc34)cc2-c2nn[n-]n2)CC1 ZINC000826507650 607566639 /nfs/dbraw/zinc/56/66/39/607566639.db2.gz SRFMEXUJSPCIKR-UHFFFAOYSA-N -1 3 390.447 3.186 20 0 GGADHM COc1ccc(CNCc2csc(-c3ccc(F)cc3)n2)cc1-c1nnn[n-]1 ZINC000826203139 607568771 /nfs/dbraw/zinc/56/87/71/607568771.db2.gz ZTPZEJZGGUMFCG-UHFFFAOYSA-N -1 3 396.451 3.428 20 0 GGADHM COc1ccc(CNCc2csc(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1 ZINC000826203139 607568773 /nfs/dbraw/zinc/56/87/73/607568773.db2.gz ZTPZEJZGGUMFCG-UHFFFAOYSA-N -1 3 396.451 3.428 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437653988 607575416 /nfs/dbraw/zinc/57/54/16/607575416.db2.gz VROONBNFRFHEIM-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437653988 607575418 /nfs/dbraw/zinc/57/54/18/607575418.db2.gz VROONBNFRFHEIM-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM CCc1c(C)sc(NC(=O)CSCc2cscn2)c1-c1nnn[n-]1 ZINC000825687611 607585708 /nfs/dbraw/zinc/58/57/08/607585708.db2.gz KDCGVWNNERCVCX-UHFFFAOYSA-N -1 3 380.524 3.127 20 0 GGADHM CCc1c(C)sc(NC(=O)CSCc2cscn2)c1-c1nn[n-]n1 ZINC000825687611 607585710 /nfs/dbraw/zinc/58/57/10/607585710.db2.gz KDCGVWNNERCVCX-UHFFFAOYSA-N -1 3 380.524 3.127 20 0 GGADHM COc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)cc1-c1nnn[n-]1 ZINC000826201252 607586550 /nfs/dbraw/zinc/58/65/50/607586550.db2.gz HRONWLROXVLNIL-UHFFFAOYSA-N -1 3 393.447 3.127 20 0 GGADHM COc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)cc1-c1nn[n-]n1 ZINC000826201252 607586552 /nfs/dbraw/zinc/58/65/52/607586552.db2.gz HRONWLROXVLNIL-UHFFFAOYSA-N -1 3 393.447 3.127 20 0 GGADHM COc1ccc(CNC(=O)C2(c3cccc(C)c3)CCCC2)cc1-c1nnn[n-]1 ZINC000826196183 607590669 /nfs/dbraw/zinc/59/06/69/607590669.db2.gz SLKJCUIXJKMQRJ-UHFFFAOYSA-N -1 3 391.475 3.312 20 0 GGADHM COc1ccc(CNC(=O)C2(c3cccc(C)c3)CCCC2)cc1-c1nn[n-]n1 ZINC000826196183 607590671 /nfs/dbraw/zinc/59/06/71/607590671.db2.gz SLKJCUIXJKMQRJ-UHFFFAOYSA-N -1 3 391.475 3.312 20 0 GGADHM COc1ccc(COC(=O)COc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826205705 607593885 /nfs/dbraw/zinc/59/38/85/607593885.db2.gz IMJKQQWFKAGZKR-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM COc1ccc(COC(=O)COc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826205705 607593888 /nfs/dbraw/zinc/59/38/88/607593888.db2.gz IMJKQQWFKAGZKR-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM Cc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000826266037 607594104 /nfs/dbraw/zinc/59/41/04/607594104.db2.gz ZLPYUOWVDBNYAS-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM Cc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000826266037 607594105 /nfs/dbraw/zinc/59/41/05/607594105.db2.gz ZLPYUOWVDBNYAS-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM CCc1ccc(C(=O)CCC(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825704447 607596685 /nfs/dbraw/zinc/59/66/85/607596685.db2.gz IRNAIAWUKSORDI-UHFFFAOYSA-N -1 3 394.431 3.144 20 0 GGADHM CCc1ccc(C(=O)CCC(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825704447 607596686 /nfs/dbraw/zinc/59/66/86/607596686.db2.gz IRNAIAWUKSORDI-UHFFFAOYSA-N -1 3 394.431 3.144 20 0 GGADHM COc1ccc(COC(=O)c2cnc(-c3ccccc3)s2)cc1-c1nnn[n-]1 ZINC000826206267 607600731 /nfs/dbraw/zinc/60/07/31/607600731.db2.gz LBOZVGQUPYYVEA-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COc1ccc(COC(=O)c2cnc(-c3ccccc3)s2)cc1-c1nn[n-]n1 ZINC000826206267 607600733 /nfs/dbraw/zinc/60/07/33/607600733.db2.gz LBOZVGQUPYYVEA-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COc1ccc(COC(=O)c2[nH]c3ccccc3c2Cl)cc1-c1nnn[n-]1 ZINC000826205684 607600938 /nfs/dbraw/zinc/60/09/38/607600938.db2.gz HMZBYOJHPOPZDJ-UHFFFAOYSA-N -1 3 383.795 3.367 20 0 GGADHM COc1ccc(COC(=O)c2[nH]c3ccccc3c2Cl)cc1-c1nn[n-]n1 ZINC000826205684 607600940 /nfs/dbraw/zinc/60/09/40/607600940.db2.gz HMZBYOJHPOPZDJ-UHFFFAOYSA-N -1 3 383.795 3.367 20 0 GGADHM COc1ccc(COC(=O)C2(c3cccc(Cl)c3)CC2)cc1-c1nnn[n-]1 ZINC000826204308 607601980 /nfs/dbraw/zinc/60/19/80/607601980.db2.gz GGJJXOITMBCILX-UHFFFAOYSA-N -1 3 384.823 3.304 20 0 GGADHM COc1ccc(COC(=O)C2(c3cccc(Cl)c3)CC2)cc1-c1nn[n-]n1 ZINC000826204308 607601981 /nfs/dbraw/zinc/60/19/81/607601981.db2.gz GGJJXOITMBCILX-UHFFFAOYSA-N -1 3 384.823 3.304 20 0 GGADHM CCN(CC)[C@H](C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825405714 607606553 /nfs/dbraw/zinc/60/65/53/607606553.db2.gz CZEAGSLLJSPEQM-IBGZPJMESA-N -1 3 395.463 3.002 20 0 GGADHM CCN(CC)[C@H](C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825405714 607606555 /nfs/dbraw/zinc/60/65/55/607606555.db2.gz CZEAGSLLJSPEQM-IBGZPJMESA-N -1 3 395.463 3.002 20 0 GGADHM COc1ccc(COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000826205346 607607539 /nfs/dbraw/zinc/60/75/39/607607539.db2.gz SIFWKRJIWFURDS-VXGBXAGGSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000826205346 607607540 /nfs/dbraw/zinc/60/75/40/607607540.db2.gz SIFWKRJIWFURDS-VXGBXAGGSA-N -1 3 386.358 3.000 20 0 GGADHM CCCOc1cc(C)ccc1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825339291 607616243 /nfs/dbraw/zinc/61/62/43/607616243.db2.gz VQIOIFRPERNPBY-UHFFFAOYSA-N -1 3 396.451 3.294 20 0 GGADHM CCCOc1cc(C)ccc1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825339291 607616245 /nfs/dbraw/zinc/61/62/45/607616245.db2.gz VQIOIFRPERNPBY-UHFFFAOYSA-N -1 3 396.451 3.294 20 0 GGADHM CCSc1cccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000825673748 607618236 /nfs/dbraw/zinc/61/82/36/607618236.db2.gz AALMCBXPXMRWQX-UHFFFAOYSA-N -1 3 384.465 3.309 20 0 GGADHM CCSc1cccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000825673748 607618237 /nfs/dbraw/zinc/61/82/37/607618237.db2.gz AALMCBXPXMRWQX-UHFFFAOYSA-N -1 3 384.465 3.309 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826198813 607622098 /nfs/dbraw/zinc/62/20/98/607622098.db2.gz JHVWYYKDLZECIN-LJQANCHMSA-N -1 3 392.463 3.134 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826198813 607622099 /nfs/dbraw/zinc/62/20/99/607622099.db2.gz JHVWYYKDLZECIN-LJQANCHMSA-N -1 3 392.463 3.134 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825220783 607624168 /nfs/dbraw/zinc/62/41/68/607624168.db2.gz WUGBCXJQYVRWJD-GOSISDBHSA-N -1 3 392.463 3.094 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825220783 607624169 /nfs/dbraw/zinc/62/41/69/607624169.db2.gz WUGBCXJQYVRWJD-GOSISDBHSA-N -1 3 392.463 3.094 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccccc2C)C2CC2)cc1-c1nnn[n-]1 ZINC000826198406 607626494 /nfs/dbraw/zinc/62/64/94/607626494.db2.gz XAXQBEVTGGHWRQ-UHFFFAOYSA-N -1 3 392.463 3.058 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccccc2C)C2CC2)cc1-c1nn[n-]n1 ZINC000826198406 607626497 /nfs/dbraw/zinc/62/64/97/607626497.db2.gz XAXQBEVTGGHWRQ-UHFFFAOYSA-N -1 3 392.463 3.058 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000826182793 607635783 /nfs/dbraw/zinc/63/57/83/607635783.db2.gz UKVWOPZJZALAFO-FOIQADDNSA-N -1 3 379.464 3.146 20 0 GGADHM Cc1oc(NC(=O)CN2CCCC[C@@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000826341357 607637971 /nfs/dbraw/zinc/63/79/71/607637971.db2.gz FRSNPTDZIZHTTA-MRXNPFEDSA-N -1 3 398.442 3.381 20 0 GGADHM Cc1oc(NC(=O)CN2CCCC[C@@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1C ZINC000826341357 607637972 /nfs/dbraw/zinc/63/79/72/607637972.db2.gz FRSNPTDZIZHTTA-MRXNPFEDSA-N -1 3 398.442 3.381 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000826248519 607646208 /nfs/dbraw/zinc/64/62/08/607646208.db2.gz MMMQBMOKLTZUOB-UHFFFAOYSA-N -1 3 376.247 3.454 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000826248519 607646209 /nfs/dbraw/zinc/64/62/09/607646209.db2.gz MMMQBMOKLTZUOB-UHFFFAOYSA-N -1 3 376.247 3.454 20 0 GGADHM CCOC(=O)C=Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825499278 607652862 /nfs/dbraw/zinc/65/28/62/607652862.db2.gz JRXNSWLMDUNMAZ-WDZFZDKYSA-N -1 3 377.404 3.004 20 0 GGADHM CCOC(=O)C=Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825499278 607652864 /nfs/dbraw/zinc/65/28/64/607652864.db2.gz JRXNSWLMDUNMAZ-WDZFZDKYSA-N -1 3 377.404 3.004 20 0 GGADHM Cc1sc2ncnc(SCC(=O)c3cccc(-c4nnn[n-]4)c3)c2c1C ZINC000826350382 607657180 /nfs/dbraw/zinc/65/71/80/607657180.db2.gz TWOVUJFDPINYGR-UHFFFAOYSA-N -1 3 382.474 3.463 20 0 GGADHM Cc1sc2ncnc(SCC(=O)c3cccc(-c4nn[n-]n4)c3)c2c1C ZINC000826350382 607657181 /nfs/dbraw/zinc/65/71/81/607657181.db2.gz TWOVUJFDPINYGR-UHFFFAOYSA-N -1 3 382.474 3.463 20 0 GGADHM Cn1c2ccc(Cl)cc2nc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826356199 607658653 /nfs/dbraw/zinc/65/86/53/607658653.db2.gz GCTQVOMDWYSHTR-UHFFFAOYSA-N -1 3 384.852 3.382 20 0 GGADHM Cn1c2ccc(Cl)cc2nc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826356199 607658656 /nfs/dbraw/zinc/65/86/56/607658656.db2.gz GCTQVOMDWYSHTR-UHFFFAOYSA-N -1 3 384.852 3.382 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000826251480 607665589 /nfs/dbraw/zinc/66/55/89/607665589.db2.gz QVWSEFWYZXVMKK-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000826251480 607665590 /nfs/dbraw/zinc/66/55/90/607665590.db2.gz QVWSEFWYZXVMKK-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000826246184 607666837 /nfs/dbraw/zinc/66/68/37/607666837.db2.gz VBLCYAZIPJFORO-KRWDZBQOSA-N -1 3 383.839 3.042 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000826246184 607666839 /nfs/dbraw/zinc/66/68/39/607666839.db2.gz VBLCYAZIPJFORO-KRWDZBQOSA-N -1 3 383.839 3.042 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000826250374 607667159 /nfs/dbraw/zinc/66/71/59/607667159.db2.gz XRKTUJKCMBEDAS-UHFFFAOYSA-N -1 3 396.414 3.137 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000826250374 607667160 /nfs/dbraw/zinc/66/71/60/607667160.db2.gz XRKTUJKCMBEDAS-UHFFFAOYSA-N -1 3 396.414 3.137 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1Cl ZINC000825559866 607668000 /nfs/dbraw/zinc/66/80/00/607668000.db2.gz KNEMEDCFBKFTTE-UHFFFAOYSA-N -1 3 385.811 3.258 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1Cl ZINC000825559866 607668001 /nfs/dbraw/zinc/66/80/01/607668001.db2.gz KNEMEDCFBKFTTE-UHFFFAOYSA-N -1 3 385.811 3.258 20 0 GGADHM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825518375 607668446 /nfs/dbraw/zinc/66/84/46/607668446.db2.gz YKZQNWRZWKZRSR-UHFFFAOYSA-N -1 3 380.408 3.020 20 0 GGADHM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825518375 607668447 /nfs/dbraw/zinc/66/84/47/607668447.db2.gz YKZQNWRZWKZRSR-UHFFFAOYSA-N -1 3 380.408 3.020 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826248524 607670388 /nfs/dbraw/zinc/67/03/88/607670388.db2.gz MOCUPAYLFPKKTQ-MJGOQNOKSA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826248524 607670389 /nfs/dbraw/zinc/67/03/89/607670389.db2.gz MOCUPAYLFPKKTQ-MJGOQNOKSA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000826245025 607670391 /nfs/dbraw/zinc/67/03/91/607670391.db2.gz LWUOKNGPBJJOEX-UHFFFAOYSA-N -1 3 385.374 3.370 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000826245025 607670392 /nfs/dbraw/zinc/67/03/92/607670392.db2.gz LWUOKNGPBJJOEX-UHFFFAOYSA-N -1 3 385.374 3.370 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000826249914 607677027 /nfs/dbraw/zinc/67/70/27/607677027.db2.gz BBEUIWQSNUEHKO-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000826249914 607677029 /nfs/dbraw/zinc/67/70/29/607677029.db2.gz BBEUIWQSNUEHKO-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)cn1 ZINC000826193242 607677517 /nfs/dbraw/zinc/67/75/17/607677517.db2.gz WEEPAJJFJPCAOQ-UHFFFAOYSA-N -1 3 375.436 3.072 20 0 GGADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)cn1 ZINC000826193242 607677519 /nfs/dbraw/zinc/67/75/19/607677519.db2.gz WEEPAJJFJPCAOQ-UHFFFAOYSA-N -1 3 375.436 3.072 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000826246878 607678549 /nfs/dbraw/zinc/67/85/49/607678549.db2.gz ODUYVHPVKKJFGC-GDBMZVCRSA-N -1 3 387.365 3.480 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000826246878 607678551 /nfs/dbraw/zinc/67/85/51/607678551.db2.gz ODUYVHPVKKJFGC-GDBMZVCRSA-N -1 3 387.365 3.480 20 0 GGADHM Cn1cc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(C(F)(F)F)n1 ZINC000826361712 607679045 /nfs/dbraw/zinc/67/90/45/607679045.db2.gz KNZTUJORFHDIJN-UHFFFAOYSA-N -1 3 391.279 3.250 20 0 GGADHM Cn1cc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(C(F)(F)F)n1 ZINC000826361712 607679047 /nfs/dbraw/zinc/67/90/47/607679047.db2.gz KNZTUJORFHDIJN-UHFFFAOYSA-N -1 3 391.279 3.250 20 0 GGADHM CCOC(=O)CCC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000825508386 607679523 /nfs/dbraw/zinc/67/95/23/607679523.db2.gz YFCQPJLZZCUEOX-UHFFFAOYSA-N -1 3 397.401 3.445 20 0 GGADHM CCOC(=O)CCC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000825508386 607679527 /nfs/dbraw/zinc/67/95/27/607679527.db2.gz YFCQPJLZZCUEOX-UHFFFAOYSA-N -1 3 397.401 3.445 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000826263419 607681384 /nfs/dbraw/zinc/68/13/84/607681384.db2.gz AKSVMBHXSRVRDH-HZPDHXFCSA-N -1 3 378.480 3.285 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000826263419 607681386 /nfs/dbraw/zinc/68/13/86/607681386.db2.gz AKSVMBHXSRVRDH-HZPDHXFCSA-N -1 3 378.480 3.285 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1cccc(OC)c1 ZINC000829667030 604274303 /nfs/dbraw/zinc/27/43/03/604274303.db2.gz ZNDRGOWVHBXWBQ-KRWDZBQOSA-N -1 3 387.480 3.151 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000826251121 607687392 /nfs/dbraw/zinc/68/73/92/607687392.db2.gz FTZCBYWPZPZPJY-UHFFFAOYSA-N -1 3 395.423 3.009 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000826251121 607687393 /nfs/dbraw/zinc/68/73/93/607687393.db2.gz FTZCBYWPZPZPJY-UHFFFAOYSA-N -1 3 395.423 3.009 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000826250044 607683861 /nfs/dbraw/zinc/68/38/61/607683861.db2.gz HUIJHNCSGOJPTQ-UHFFFAOYSA-N -1 3 395.423 3.169 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000826250044 607683862 /nfs/dbraw/zinc/68/38/62/607683862.db2.gz HUIJHNCSGOJPTQ-UHFFFAOYSA-N -1 3 395.423 3.169 20 0 GGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826220858 607684961 /nfs/dbraw/zinc/68/49/61/607684961.db2.gz DADSGOIFMQDYHA-ZDUSSCGKSA-N -1 3 397.504 3.342 20 0 GGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826220858 607684962 /nfs/dbraw/zinc/68/49/62/607684962.db2.gz DADSGOIFMQDYHA-ZDUSSCGKSA-N -1 3 397.504 3.342 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc(C(=O)[O-])o1 ZINC000827240756 604329324 /nfs/dbraw/zinc/32/93/24/604329324.db2.gz NKMGWKNFKBCONS-SNVBAGLBSA-N -1 3 381.226 3.247 20 0 GGADHM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000833226606 604353116 /nfs/dbraw/zinc/35/31/16/604353116.db2.gz KDPNPKINXHINIW-OAQYLSRUSA-N -1 3 395.503 3.187 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000824136980 607688911 /nfs/dbraw/zinc/68/89/11/607688911.db2.gz VYIUUBAFHJXUBX-UHFFFAOYSA-N -1 3 382.442 3.133 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000824136980 607688912 /nfs/dbraw/zinc/68/89/12/607688912.db2.gz VYIUUBAFHJXUBX-UHFFFAOYSA-N -1 3 382.442 3.133 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000826088824 604374835 /nfs/dbraw/zinc/37/48/35/604374835.db2.gz CDTJMHBDYNSNDQ-PMACEKPBSA-N -1 3 395.503 3.262 20 0 GGADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)n1 ZINC000826265648 607690361 /nfs/dbraw/zinc/69/03/61/607690361.db2.gz IDNYTOHBMPBACL-UHFFFAOYSA-N -1 3 392.448 3.005 20 0 GGADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)n1 ZINC000826265648 607690363 /nfs/dbraw/zinc/69/03/63/607690363.db2.gz IDNYTOHBMPBACL-UHFFFAOYSA-N -1 3 392.448 3.005 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000826095645 604454811 /nfs/dbraw/zinc/45/48/11/604454811.db2.gz MLYJVIMJNMIFAV-VQTJNVASSA-N -1 3 395.503 3.412 20 0 GGADHM CN(C)C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830596252 604458052 /nfs/dbraw/zinc/45/80/52/604458052.db2.gz GTSVVAZJZGVSGW-MOPGFXCFSA-N -1 3 383.492 3.441 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c2cccs2)CC1 ZINC000828284102 604478000 /nfs/dbraw/zinc/47/80/00/604478000.db2.gz CFQNGVHYSZKOHU-CVEARBPZSA-N -1 3 379.526 3.170 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040534 604489957 /nfs/dbraw/zinc/48/99/57/604489957.db2.gz GEXNJHJXJSXRKB-KUHUBIRLSA-N -1 3 393.480 3.273 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040533 604490117 /nfs/dbraw/zinc/49/01/17/604490117.db2.gz GEXNJHJXJSXRKB-IFXJQAMLSA-N -1 3 393.480 3.273 20 0 GGADHM CN(C)CCN(CCCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830604038 604504789 /nfs/dbraw/zinc/50/47/89/604504789.db2.gz CXKGVRSNMMFWAC-UHFFFAOYSA-N -1 3 375.494 3.475 20 0 GGADHM CN(C)CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000830604125 604534676 /nfs/dbraw/zinc/53/46/76/604534676.db2.gz HHSYQXDUVRCCRY-SFHVURJKSA-N -1 3 375.513 3.354 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826286038 607699514 /nfs/dbraw/zinc/69/95/14/607699514.db2.gz QNYSRMHKJROJFU-UYAOXDASSA-N -1 3 391.475 3.381 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826286038 607699516 /nfs/dbraw/zinc/69/95/16/607699516.db2.gz QNYSRMHKJROJFU-UYAOXDASSA-N -1 3 391.475 3.381 20 0 GGADHM O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000821545909 604586901 /nfs/dbraw/zinc/58/69/01/604586901.db2.gz LPRKNZNTYVCCDL-LJQANCHMSA-N -1 3 390.443 3.281 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(CC(=O)NC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833538481 604607775 /nfs/dbraw/zinc/60/77/75/604607775.db2.gz CRPMCXPMTFFXET-INIZCTEOSA-N -1 3 388.508 3.199 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833541535 604610700 /nfs/dbraw/zinc/61/07/00/604610700.db2.gz NKSHUQVPNMYNCS-RDJZCZTQSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540844 604622737 /nfs/dbraw/zinc/62/27/37/604622737.db2.gz LKAXNHNQBWSJJM-PKOBYXMFSA-N -1 3 396.487 3.181 20 0 GGADHM Cc1nc(COC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c(C)s1 ZINC000826326193 607704262 /nfs/dbraw/zinc/70/42/62/607704262.db2.gz FUPGALLAJWLCIM-MRXNPFEDSA-N -1 3 387.465 3.087 20 0 GGADHM Cc1nc(COC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c(C)s1 ZINC000826326193 607704263 /nfs/dbraw/zinc/70/42/63/607704263.db2.gz FUPGALLAJWLCIM-MRXNPFEDSA-N -1 3 387.465 3.087 20 0 GGADHM CC(=O)N1CC[C@H](NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c2ccccc21 ZINC000833393992 604639091 /nfs/dbraw/zinc/63/90/91/604639091.db2.gz NALKTQVBGWXDHP-IBGZPJMESA-N -1 3 382.460 3.354 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC000833542201 604639425 /nfs/dbraw/zinc/63/94/25/604639425.db2.gz QHQBIVLNMZNSMS-OAHLLOKOSA-N -1 3 392.496 3.370 20 0 GGADHM O=C([O-])[C@@H]1CC12CCN(Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000833771642 604650023 /nfs/dbraw/zinc/65/00/23/604650023.db2.gz LWDPPTXHLXPVKL-INIZCTEOSA-N -1 3 390.281 3.322 20 0 GGADHM O=C([O-])[C@H]1CC12CCN(CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000833771423 604650362 /nfs/dbraw/zinc/65/03/62/604650362.db2.gz FDLKTELWVDHNHX-OAHLLOKOSA-N -1 3 378.266 3.412 20 0 GGADHM C[C@H](C1CC1)N(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515188 604662133 /nfs/dbraw/zinc/66/21/33/604662133.db2.gz AYTGMZVKVMVQOP-VGSWGCGISA-N -1 3 392.499 3.325 20 0 GGADHM C[C@H](C1CC1)N(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515187 604662830 /nfs/dbraw/zinc/66/28/30/604662830.db2.gz AYTGMZVKVMVQOP-VGOFRKELSA-N -1 3 392.499 3.325 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cnc2ccc(Br)cn12 ZINC000263496619 604679323 /nfs/dbraw/zinc/67/93/23/604679323.db2.gz JUQRETGMKRAFKY-UGFHNGPFSA-N -1 3 378.270 3.315 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1)C(=O)[O-] ZINC000833541213 604680751 /nfs/dbraw/zinc/68/07/51/604680751.db2.gz MLOAYLJHSUESIK-OXQOHEQNSA-N -1 3 377.481 3.089 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544516 604683721 /nfs/dbraw/zinc/68/37/21/604683721.db2.gz ZDIIZFWWIPXYCY-WBVHZDCISA-N -1 3 392.496 3.370 20 0 GGADHM COc1cccc(CN2CCC(NC(=O)CCc3ccccc3C(=O)[O-])CC2)c1 ZINC000833735830 604715777 /nfs/dbraw/zinc/71/57/77/604715777.db2.gz XSXWVBXLLYNGMO-UHFFFAOYSA-N -1 3 396.487 3.107 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cnn1-c1ccccc1F ZINC000826250552 607711016 /nfs/dbraw/zinc/71/10/16/607711016.db2.gz GSXVBAHMPXOGPX-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cnn1-c1ccccc1F ZINC000826250552 607711018 /nfs/dbraw/zinc/71/10/18/607711018.db2.gz GSXVBAHMPXOGPX-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824297641 607711258 /nfs/dbraw/zinc/71/12/58/607711258.db2.gz YBHKCBWKCKRHAU-UHFFFAOYSA-N -1 3 378.358 3.264 20 0 GGADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824297641 607711259 /nfs/dbraw/zinc/71/12/59/607711259.db2.gz YBHKCBWKCKRHAU-UHFFFAOYSA-N -1 3 378.358 3.264 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544492 604758986 /nfs/dbraw/zinc/75/89/86/604758986.db2.gz YQOCZWAVYXMZOZ-NVXWUHKLSA-N -1 3 377.481 3.482 20 0 GGADHM Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000832932347 604772842 /nfs/dbraw/zinc/77/28/42/604772842.db2.gz HQMMTNLDGWHFDF-UHFFFAOYSA-N -1 3 388.489 3.398 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000833551324 604794706 /nfs/dbraw/zinc/79/47/06/604794706.db2.gz SMWRDUNUISTZOA-INIZCTEOSA-N -1 3 381.476 3.054 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547263 604809328 /nfs/dbraw/zinc/80/93/28/604809328.db2.gz AHGVESQXMQASKE-IIBYNOLFSA-N -1 3 393.487 3.288 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547262 604809421 /nfs/dbraw/zinc/80/94/21/604809421.db2.gz AHGVESQXMQASKE-IERDGZPVSA-N -1 3 393.487 3.288 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825073768 607718736 /nfs/dbraw/zinc/71/87/36/607718736.db2.gz CBKHSMSIMIXVOK-CYBMUJFWSA-N -1 3 397.435 3.421 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825073768 607718738 /nfs/dbraw/zinc/71/87/38/607718738.db2.gz CBKHSMSIMIXVOK-CYBMUJFWSA-N -1 3 397.435 3.421 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000833417353 604857542 /nfs/dbraw/zinc/85/75/42/604857542.db2.gz QTNQDYKBRVNTQH-QFBILLFUSA-N -1 3 394.471 3.295 20 0 GGADHM COc1cc(OC)c(C2CCN([C@H](C(=O)[O-])c3cccnc3)CC2)c(OC)c1 ZINC000530164939 604863413 /nfs/dbraw/zinc/86/34/13/604863413.db2.gz UBQJJHYAZWJIES-FQEVSTJZSA-N -1 3 386.448 3.113 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cc2)CC1 ZINC000833498841 604869766 /nfs/dbraw/zinc/86/97/66/604869766.db2.gz HWKRTUWPZNZECM-UHFFFAOYSA-N -1 3 387.524 3.077 20 0 GGADHM COc1ccc(COC(=O)C[C@H](C)c2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000826205475 607722320 /nfs/dbraw/zinc/72/23/20/607722320.db2.gz XSQLXKDFCHBRBQ-NSHDSACASA-N -1 3 388.374 3.391 20 0 GGADHM COc1ccc(COC(=O)C[C@H](C)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000826205475 607722322 /nfs/dbraw/zinc/72/23/22/607722322.db2.gz XSQLXKDFCHBRBQ-NSHDSACASA-N -1 3 388.374 3.391 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833550644 604919357 /nfs/dbraw/zinc/91/93/57/604919357.db2.gz XYSAGGOPZWLSDQ-CJNGLKHVSA-N -1 3 393.447 3.218 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833550642 604919375 /nfs/dbraw/zinc/91/93/75/604919375.db2.gz XYSAGGOPZWLSDQ-BBRMVZONSA-N -1 3 393.447 3.218 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000833420266 604940671 /nfs/dbraw/zinc/94/06/71/604940671.db2.gz PSPXPCHQBKZQJS-HNNXBMFYSA-N -1 3 387.505 3.232 20 0 GGADHM CCCc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000833653474 604942217 /nfs/dbraw/zinc/94/22/17/604942217.db2.gz VRLDUBCALHNBQO-HNNXBMFYSA-N -1 3 398.507 3.324 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(COc2ccc(F)cc2)no1 ZINC000248562496 604963371 /nfs/dbraw/zinc/96/33/71/604963371.db2.gz OBNYROXPBYASKG-RCBQFDQVSA-N -1 3 375.400 3.005 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000833600224 604970039 /nfs/dbraw/zinc/97/00/39/604970039.db2.gz KGKRJJMKZADPPB-GDBMZVCRSA-N -1 3 378.469 3.141 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000833549987 604980171 /nfs/dbraw/zinc/98/01/71/604980171.db2.gz UCHPJQPLEIIWSF-BHIYHBOVSA-N -1 3 387.524 3.354 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000833416447 604992056 /nfs/dbraw/zinc/99/20/56/604992056.db2.gz YSHLOJVQZMTRAR-ROUUACIJSA-N -1 3 390.499 3.387 20 0 GGADHM CC(C)(C)N1CCC(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000572105296 605019077 /nfs/dbraw/zinc/01/90/77/605019077.db2.gz KBGYTTHYNBWFED-UHFFFAOYSA-N -1 3 396.534 3.141 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2ccc(C)cc2C)cc(C(=O)[O-])c1 ZINC000833715251 605068572 /nfs/dbraw/zinc/06/85/72/605068572.db2.gz QRFLHIOUJPRQSA-AWEZNQCLSA-N -1 3 384.432 3.078 20 0 GGADHM O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826506917 607732552 /nfs/dbraw/zinc/73/25/52/607732552.db2.gz FKSNIYKTDQVRTL-DOMZBBRYSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826506917 607732554 /nfs/dbraw/zinc/73/25/54/607732554.db2.gz FKSNIYKTDQVRTL-DOMZBBRYSA-N -1 3 393.344 3.337 20 0 GGADHM C[C@H]1CN([C@H](CNCc2ccc(C(=O)[O-])o2)c2c(F)cccc2Cl)CCO1 ZINC000833625022 605074730 /nfs/dbraw/zinc/07/47/30/605074730.db2.gz MXGQRVIOUFKODH-BLLLJJGKSA-N -1 3 396.846 3.322 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](c2ccccc2C)C2CC2)cc(C(=O)[O-])c1 ZINC000833715790 605080384 /nfs/dbraw/zinc/08/03/84/605080384.db2.gz ZEQSMXOERMZVTL-FQEVSTJZSA-N -1 3 396.443 3.159 20 0 GGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1c(Cl)cccc1-c1nnn[n-]1 ZINC000824884653 607733743 /nfs/dbraw/zinc/73/37/43/607733743.db2.gz OXPSDQPPCJJGQT-NEPJUHHUSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1c(Cl)cccc1-c1nn[n-]n1 ZINC000824884653 607733744 /nfs/dbraw/zinc/73/37/44/607733744.db2.gz OXPSDQPPCJJGQT-NEPJUHHUSA-N -1 3 392.891 3.260 20 0 GGADHM CCC(CC)(CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000382610351 605096730 /nfs/dbraw/zinc/09/67/30/605096730.db2.gz HVZDXEDZBATDSD-QGZVFWFLSA-N -1 3 375.513 3.183 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833440457 605103215 /nfs/dbraw/zinc/10/32/15/605103215.db2.gz YVDXZQNJUFVCOE-WMLDXEAASA-N -1 3 377.485 3.324 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000322687023 605131751 /nfs/dbraw/zinc/13/17/51/605131751.db2.gz IHXFVYUSTQLVBI-UHFFFAOYSA-N -1 3 386.290 3.199 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833486813 605136097 /nfs/dbraw/zinc/13/60/97/605136097.db2.gz RSOFYMZIXLOIRK-UHFFFAOYSA-N -1 3 375.391 3.455 20 0 GGADHM CCN1C[C@@H](C)N(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C[C@H]1C ZINC000833658920 605146688 /nfs/dbraw/zinc/14/66/88/605146688.db2.gz WJCQYGWCNRTTQI-GHMZBOCLSA-N -1 3 388.295 3.045 20 0 GGADHM CC(C)COc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833490439 605173317 /nfs/dbraw/zinc/17/33/17/605173317.db2.gz IHGCTIIZAURDSV-HOTGVXAUSA-N -1 3 376.497 3.084 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000833412369 605175313 /nfs/dbraw/zinc/17/53/13/605175313.db2.gz JQMVGGRXPQJZMN-XLIONFOSSA-N -1 3 382.460 3.068 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000833412968 605177629 /nfs/dbraw/zinc/17/76/29/605177629.db2.gz MQFHMZHKWBNXNI-HXUWFJFHSA-N -1 3 398.459 3.228 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000833412931 605177810 /nfs/dbraw/zinc/17/78/10/605177810.db2.gz DYHGZVCPSQCNJR-GOSISDBHSA-N -1 3 385.851 3.290 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000833412965 605178069 /nfs/dbraw/zinc/17/80/69/605178069.db2.gz MQFHMZHKWBNXNI-FQEVSTJZSA-N -1 3 398.459 3.228 20 0 GGADHM CN(C)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000833687568 605179782 /nfs/dbraw/zinc/17/97/82/605179782.db2.gz VVEVFOCIGJPUKU-INIZCTEOSA-N -1 3 391.265 3.066 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCCc1c(F)cccc1F)c1ccccc1 ZINC000833414543 605180419 /nfs/dbraw/zinc/18/04/19/605180419.db2.gz SEEZATQFWMGDCW-LJQANCHMSA-N -1 3 390.430 3.065 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC000833411721 605182314 /nfs/dbraw/zinc/18/23/14/605182314.db2.gz DBUULLBETHPQML-IBGZPJMESA-N -1 3 384.480 3.378 20 0 GGADHM CC(C)N(C)C(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833495856 605200373 /nfs/dbraw/zinc/20/03/73/605200373.db2.gz ZTWOQTRCGXIHDX-INIZCTEOSA-N -1 3 397.313 3.154 20 0 GGADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[NH2+][C@@H](C)c1ccccc1 ZINC000833477688 605201978 /nfs/dbraw/zinc/20/19/78/605201978.db2.gz LWNMSCREOLODJW-YOEHRIQHSA-N -1 3 394.493 3.022 20 0 GGADHM CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833463689 605202649 /nfs/dbraw/zinc/20/26/49/605202649.db2.gz PXVKYZSUIALDRX-XJKSGUPXSA-N -1 3 397.313 3.059 20 0 GGADHM C[C@@](CO)(NCCOc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833520007 605210872 /nfs/dbraw/zinc/21/08/72/605210872.db2.gz ZKJHEISCDOFTTG-SFHVURJKSA-N -1 3 383.366 3.280 20 0 GGADHM CN(C(=O)OC(C)(C)C)C1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000833685301 605212701 /nfs/dbraw/zinc/21/27/01/605212701.db2.gz KJBCQXLIMLQWTM-UHFFFAOYSA-N -1 3 378.469 3.095 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1ccccc1F ZINC000833437883 605222179 /nfs/dbraw/zinc/22/21/79/605222179.db2.gz XJUHHYKPHGZGGK-JKIFEVAISA-N -1 3 378.444 3.425 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833417837 605244442 /nfs/dbraw/zinc/24/44/42/605244442.db2.gz YVLCYNKBYLYTHN-BLLLJJGKSA-N -1 3 382.863 3.407 20 0 GGADHM C[C@H](Oc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)cc1)C(=O)[O-] ZINC000833540531 605255317 /nfs/dbraw/zinc/25/53/17/605255317.db2.gz LWQSWQLZVFIMRJ-INIZCTEOSA-N -1 3 382.460 3.064 20 0 GGADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC000824137052 607743887 /nfs/dbraw/zinc/74/38/87/607743887.db2.gz WOZZGXZRMWPLLA-CYBMUJFWSA-N -1 3 385.497 3.316 20 0 GGADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC000824137052 607743888 /nfs/dbraw/zinc/74/38/88/607743888.db2.gz WOZZGXZRMWPLLA-CYBMUJFWSA-N -1 3 385.497 3.316 20 0 GGADHM CC(C)N(C)C(=O)C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833495836 605262772 /nfs/dbraw/zinc/26/27/72/605262772.db2.gz YVHMLKBROKIJSN-INIZCTEOSA-N -1 3 386.414 3.410 20 0 GGADHM CCOC(=O)N(C)C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833659286 605264531 /nfs/dbraw/zinc/26/45/31/605264531.db2.gz UAERVPJSKYVSDI-OAHLLOKOSA-N -1 3 388.386 3.384 20 0 GGADHM C[C@]1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCC[C@@H]1C(=O)[O-] ZINC000833566619 605273176 /nfs/dbraw/zinc/27/31/76/605273176.db2.gz BQVIUSFTWLWTAS-CDXJDZJCSA-N -1 3 376.472 3.187 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833599328 605299208 /nfs/dbraw/zinc/29/92/08/605299208.db2.gz DGMHBAPQLORHTH-ZBFHGGJFSA-N -1 3 378.469 3.028 20 0 GGADHM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824162660 607746427 /nfs/dbraw/zinc/74/64/27/607746427.db2.gz LNDOFJFSHJVDNU-UHFFFAOYSA-N -1 3 379.251 3.253 20 0 GGADHM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824162660 607746428 /nfs/dbraw/zinc/74/64/28/607746428.db2.gz LNDOFJFSHJVDNU-UHFFFAOYSA-N -1 3 379.251 3.253 20 0 GGADHM O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826460872 607746603 /nfs/dbraw/zinc/74/66/03/607746603.db2.gz WAEUPRLTIYRQKI-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826460872 607746604 /nfs/dbraw/zinc/74/66/04/607746604.db2.gz WAEUPRLTIYRQKI-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833649641 605361922 /nfs/dbraw/zinc/36/19/22/605361922.db2.gz RYVCCBMDQBOERV-ISTRZQFTSA-N -1 3 384.879 3.478 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833436212 605363571 /nfs/dbraw/zinc/36/35/71/605363571.db2.gz GKQVVAHAMHGSJV-XHDPSFHLSA-N -1 3 386.851 3.451 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000833721751 605367014 /nfs/dbraw/zinc/36/70/14/605367014.db2.gz GDNOZJPAARRFBJ-NRFANRHFSA-N -1 3 384.432 3.473 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826323171 607751605 /nfs/dbraw/zinc/75/16/05/607751605.db2.gz TVCLHCRRHNHLRO-GFCCVEGCSA-N -1 3 393.476 3.460 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826323171 607751606 /nfs/dbraw/zinc/75/16/06/607751606.db2.gz TVCLHCRRHNHLRO-GFCCVEGCSA-N -1 3 393.476 3.460 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000826470780 607753830 /nfs/dbraw/zinc/75/38/30/607753830.db2.gz CLJOVWVEBMGERR-UHFFFAOYSA-N -1 3 388.353 3.143 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000826470780 607753831 /nfs/dbraw/zinc/75/38/31/607753831.db2.gz CLJOVWVEBMGERR-UHFFFAOYSA-N -1 3 388.353 3.143 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@@]3(C)CCO[C@@H]3C3CC3)c2C(=O)[O-])C1 ZINC000833617280 605447820 /nfs/dbraw/zinc/44/78/20/605447820.db2.gz QRPHEXXISABZAQ-JSZUHDFRSA-N -1 3 392.521 3.057 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824807148 607756733 /nfs/dbraw/zinc/75/67/33/607756733.db2.gz FTLHPVOMOIGQHX-GOSISDBHSA-N -1 3 376.464 3.380 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824807148 607756734 /nfs/dbraw/zinc/75/67/34/607756734.db2.gz FTLHPVOMOIGQHX-GOSISDBHSA-N -1 3 376.464 3.380 20 0 GGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824807149 607756754 /nfs/dbraw/zinc/75/67/54/607756754.db2.gz FTLHPVOMOIGQHX-SFHVURJKSA-N -1 3 376.464 3.380 20 0 GGADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824807149 607756755 /nfs/dbraw/zinc/75/67/55/607756755.db2.gz FTLHPVOMOIGQHX-SFHVURJKSA-N -1 3 376.464 3.380 20 0 GGADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826433707 607758782 /nfs/dbraw/zinc/75/87/82/607758782.db2.gz ONSYXPCBRKGNRE-UHFFFAOYSA-N -1 3 391.435 3.366 20 0 GGADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826433707 607758783 /nfs/dbraw/zinc/75/87/83/607758783.db2.gz ONSYXPCBRKGNRE-UHFFFAOYSA-N -1 3 391.435 3.366 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000825532907 607759387 /nfs/dbraw/zinc/75/93/87/607759387.db2.gz ZOXDDMCWSZIKFT-TWGQIWQCSA-N -1 3 396.382 3.226 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000825532907 607759388 /nfs/dbraw/zinc/75/93/88/607759388.db2.gz ZOXDDMCWSZIKFT-TWGQIWQCSA-N -1 3 396.382 3.226 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000825545046 607759655 /nfs/dbraw/zinc/75/96/55/607759655.db2.gz LNUUXNXPTRGNPU-UHFFFAOYSA-N -1 3 392.828 3.402 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000825545046 607759656 /nfs/dbraw/zinc/75/96/56/607759656.db2.gz LNUUXNXPTRGNPU-UHFFFAOYSA-N -1 3 392.828 3.402 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=C(C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000825531373 607761087 /nfs/dbraw/zinc/76/10/87/607761087.db2.gz JMOAMHCVGSTXNB-QBFSEMIESA-N -1 3 392.419 3.477 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=C(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000825531373 607761088 /nfs/dbraw/zinc/76/10/88/607761088.db2.gz JMOAMHCVGSTXNB-QBFSEMIESA-N -1 3 392.419 3.477 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000825523302 607761721 /nfs/dbraw/zinc/76/17/21/607761721.db2.gz PTJIKCYGEZDRKT-CYBMUJFWSA-N -1 3 394.435 3.486 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000825523302 607761722 /nfs/dbraw/zinc/76/17/22/607761722.db2.gz PTJIKCYGEZDRKT-CYBMUJFWSA-N -1 3 394.435 3.486 20 0 GGADHM CCC[C@H](C)N(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825232287 607765816 /nfs/dbraw/zinc/76/58/16/607765816.db2.gz FXRVIQSSOFKFRT-NSHDSACASA-N -1 3 375.433 3.087 20 0 GGADHM CCC[C@H](C)N(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825232287 607765817 /nfs/dbraw/zinc/76/58/17/607765817.db2.gz FXRVIQSSOFKFRT-NSHDSACASA-N -1 3 375.433 3.087 20 0 GGADHM CCCN(CC(C)C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825307499 607765960 /nfs/dbraw/zinc/76/59/60/607765960.db2.gz BQBLSIHUQSGABO-UHFFFAOYSA-N -1 3 389.460 3.335 20 0 GGADHM CCCN(CC(C)C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825307499 607765961 /nfs/dbraw/zinc/76/59/61/607765961.db2.gz BQBLSIHUQSGABO-UHFFFAOYSA-N -1 3 389.460 3.335 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000825532029 607766092 /nfs/dbraw/zinc/76/60/92/607766092.db2.gz OGTNONIICWGKMG-UHFFFAOYSA-N -1 3 399.455 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000825532029 607766093 /nfs/dbraw/zinc/76/60/93/607766093.db2.gz OGTNONIICWGKMG-UHFFFAOYSA-N -1 3 399.455 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)NCCCC(C)(C)C)cc1-c1nnn[n-]1 ZINC000825539428 607766524 /nfs/dbraw/zinc/76/65/24/607766524.db2.gz OMTRIELPLVIZLH-UHFFFAOYSA-N -1 3 389.460 3.383 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)NCCCC(C)(C)C)cc1-c1nn[n-]n1 ZINC000825539428 607766525 /nfs/dbraw/zinc/76/65/25/607766525.db2.gz OMTRIELPLVIZLH-UHFFFAOYSA-N -1 3 389.460 3.383 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1-c1nnn[n-]1 ZINC000825538754 607766900 /nfs/dbraw/zinc/76/69/00/607766900.db2.gz JTYFCGFOROBDHS-MLGOLLRUSA-N -1 3 399.455 3.232 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1-c1nn[n-]n1 ZINC000825538754 607766901 /nfs/dbraw/zinc/76/69/01/607766901.db2.gz JTYFCGFOROBDHS-MLGOLLRUSA-N -1 3 399.455 3.232 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1scnc1Cl ZINC000826460184 607770727 /nfs/dbraw/zinc/77/07/27/607770727.db2.gz QGRHRUMFSZMFPV-UHFFFAOYSA-N -1 3 389.853 3.352 20 0 GGADHM COc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826219285 607769532 /nfs/dbraw/zinc/76/95/32/607769532.db2.gz XKXPDMDBSUIXFY-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826219285 607769533 /nfs/dbraw/zinc/76/95/33/607769533.db2.gz XKXPDMDBSUIXFY-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM O=C(COc1ccc(F)cc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826417714 607770047 /nfs/dbraw/zinc/77/00/47/607770047.db2.gz BHKWXFOOXLMRFT-UHFFFAOYSA-N -1 3 396.407 3.147 20 0 GGADHM O=C(COc1ccc(F)cc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826417714 607770048 /nfs/dbraw/zinc/77/00/48/607770048.db2.gz BHKWXFOOXLMRFT-UHFFFAOYSA-N -1 3 396.407 3.147 20 0 GGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1 ZINC000820218929 606023773 /nfs/dbraw/zinc/02/37/73/606023773.db2.gz BHGJWPZWTYVXBU-CHWSQXEVSA-N -1 3 381.411 3.092 20 0 GGADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1 ZINC000820218929 606023776 /nfs/dbraw/zinc/02/37/76/606023776.db2.gz BHGJWPZWTYVXBU-CHWSQXEVSA-N -1 3 381.411 3.092 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(-c2ccccc2)ns1 ZINC000823237910 606024086 /nfs/dbraw/zinc/02/40/86/606024086.db2.gz FCJLGOZJGHHATA-UHFFFAOYSA-N -1 3 380.408 3.059 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(-c2ccccc2)ns1 ZINC000823237910 606024087 /nfs/dbraw/zinc/02/40/87/606024087.db2.gz FCJLGOZJGHHATA-UHFFFAOYSA-N -1 3 380.408 3.059 20 0 GGADHM C[C@H](Nc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820461588 606026513 /nfs/dbraw/zinc/02/65/13/606026513.db2.gz NKPIFCLIXIUCLO-ZDUSSCGKSA-N -1 3 383.419 3.169 20 0 GGADHM C[C@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820461588 606026524 /nfs/dbraw/zinc/02/65/24/606026524.db2.gz NKPIFCLIXIUCLO-ZDUSSCGKSA-N -1 3 383.419 3.169 20 0 GGADHM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820334748 606028644 /nfs/dbraw/zinc/02/86/44/606028644.db2.gz PNFQKVIOQIDFNJ-OAHLLOKOSA-N -1 3 384.443 3.349 20 0 GGADHM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820334748 606028645 /nfs/dbraw/zinc/02/86/45/606028645.db2.gz PNFQKVIOQIDFNJ-OAHLLOKOSA-N -1 3 384.443 3.349 20 0 GGADHM CC[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820989159 606030375 /nfs/dbraw/zinc/03/03/75/606030375.db2.gz MVOHIUIIKDDZML-FUHWJXTLSA-N -1 3 391.475 3.288 20 0 GGADHM CC[C@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820989159 606030378 /nfs/dbraw/zinc/03/03/78/606030378.db2.gz MVOHIUIIKDDZML-FUHWJXTLSA-N -1 3 391.475 3.288 20 0 GGADHM Cc1noc(C(F)F)c1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822519785 606055488 /nfs/dbraw/zinc/05/54/88/606055488.db2.gz LXLBEJMXTOGZCP-UHFFFAOYSA-N -1 3 376.367 3.152 20 0 GGADHM Cc1noc(C(F)F)c1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000822519785 606055493 /nfs/dbraw/zinc/05/54/93/606055493.db2.gz LXLBEJMXTOGZCP-UHFFFAOYSA-N -1 3 376.367 3.152 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[C@@H](OCC)C(C)C ZINC000821104821 606056498 /nfs/dbraw/zinc/05/64/98/606056498.db2.gz SAMFBRHERYHWNN-GOSISDBHSA-N -1 3 388.516 3.240 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[C@@H](OCC)C(C)C ZINC000821104821 606056500 /nfs/dbraw/zinc/05/65/00/606056500.db2.gz SAMFBRHERYHWNN-GOSISDBHSA-N -1 3 388.516 3.240 20 0 GGADHM CCCCCC(=O)NC1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821042770 606061507 /nfs/dbraw/zinc/06/15/07/606061507.db2.gz HUQDBZPNWCTSRO-UHFFFAOYSA-N -1 3 393.495 3.080 20 0 GGADHM CCCCCC(=O)NC1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000821042770 606061512 /nfs/dbraw/zinc/06/15/12/606061512.db2.gz HUQDBZPNWCTSRO-UHFFFAOYSA-N -1 3 393.495 3.080 20 0 GGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1nc3ccccc3cc1-c1nnn[n-]1)C2 ZINC000819957566 606066837 /nfs/dbraw/zinc/06/68/37/606066837.db2.gz BEWBUKCBGSTWSD-AWEZNQCLSA-N -1 3 388.479 3.336 20 0 GGADHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1nc3ccccc3cc1-c1nn[n-]n1)C2 ZINC000819957566 606066843 /nfs/dbraw/zinc/06/68/43/606066843.db2.gz BEWBUKCBGSTWSD-AWEZNQCLSA-N -1 3 388.479 3.336 20 0 GGADHM Fc1cccc([C@@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)c1 ZINC000822786444 606070295 /nfs/dbraw/zinc/07/02/95/606070295.db2.gz KKJNMSJKODJNIJ-SFHVURJKSA-N -1 3 376.395 3.132 20 0 GGADHM Fc1cccc([C@@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)c1 ZINC000822786444 606070299 /nfs/dbraw/zinc/07/02/99/606070299.db2.gz KKJNMSJKODJNIJ-SFHVURJKSA-N -1 3 376.395 3.132 20 0 GGADHM C[C@@](O)(CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820467449 606087222 /nfs/dbraw/zinc/08/72/22/606087222.db2.gz HPSAULHQLTYORP-LJQANCHMSA-N -1 3 382.374 3.013 20 0 GGADHM C[C@@](O)(CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820467449 606087225 /nfs/dbraw/zinc/08/72/25/606087225.db2.gz HPSAULHQLTYORP-LJQANCHMSA-N -1 3 382.374 3.013 20 0 GGADHM c1ccc(COC[C@H]2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000823787273 606094030 /nfs/dbraw/zinc/09/40/30/606094030.db2.gz KBSFXFRDLHCGBC-KRWDZBQOSA-N -1 3 386.459 3.458 20 0 GGADHM c1ccc(COC[C@H]2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823787273 606094032 /nfs/dbraw/zinc/09/40/32/606094032.db2.gz KBSFXFRDLHCGBC-KRWDZBQOSA-N -1 3 386.459 3.458 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822540721 606094376 /nfs/dbraw/zinc/09/43/76/606094376.db2.gz FPTADTXSFGVEFD-PLQHRBFRSA-N -1 3 380.452 3.097 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822540721 606094381 /nfs/dbraw/zinc/09/43/81/606094381.db2.gz FPTADTXSFGVEFD-PLQHRBFRSA-N -1 3 380.452 3.097 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822540708 606094420 /nfs/dbraw/zinc/09/44/20/606094420.db2.gz FPTADTXSFGVEFD-BNLOLNQZSA-N -1 3 380.452 3.097 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822540708 606094425 /nfs/dbraw/zinc/09/44/25/606094425.db2.gz FPTADTXSFGVEFD-BNLOLNQZSA-N -1 3 380.452 3.097 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](C(=O)OC(C)(C)C)C3)c2c1 ZINC000822195507 606101500 /nfs/dbraw/zinc/10/15/00/606101500.db2.gz UFGXEBIEXJSNPD-AWEZNQCLSA-N -1 3 394.479 3.200 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](C(=O)OC(C)(C)C)C3)c2c1 ZINC000822195507 606101501 /nfs/dbraw/zinc/10/15/01/606101501.db2.gz UFGXEBIEXJSNPD-AWEZNQCLSA-N -1 3 394.479 3.200 20 0 GGADHM Cc1cc(N2CCC(Nc3ccc(Cl)cc3-c3nnn[n-]3)CC2)nc(C)n1 ZINC000822207175 606102615 /nfs/dbraw/zinc/10/26/15/606102615.db2.gz NHHHBFNEHZMIRS-UHFFFAOYSA-N -1 3 384.875 3.008 20 0 GGADHM Cc1cc(N2CCC(Nc3ccc(Cl)cc3-c3nn[n-]n3)CC2)nc(C)n1 ZINC000822207175 606102617 /nfs/dbraw/zinc/10/26/17/606102617.db2.gz NHHHBFNEHZMIRS-UHFFFAOYSA-N -1 3 384.875 3.008 20 0 GGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000820259936 606105866 /nfs/dbraw/zinc/10/58/66/606105866.db2.gz DFURTLBYVOSHNB-LBPRGKRZSA-N -1 3 394.460 3.020 20 0 GGADHM C[C@@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000820259936 606105868 /nfs/dbraw/zinc/10/58/68/606105868.db2.gz DFURTLBYVOSHNB-LBPRGKRZSA-N -1 3 394.460 3.020 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1sccc1-c1nnn[n-]1 ZINC000823337852 606106443 /nfs/dbraw/zinc/10/64/43/606106443.db2.gz UKIFRQZQKLXMHI-UHFFFAOYSA-N -1 3 397.395 3.247 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1sccc1-c1nn[n-]n1 ZINC000823337852 606106445 /nfs/dbraw/zinc/10/64/45/606106445.db2.gz UKIFRQZQKLXMHI-UHFFFAOYSA-N -1 3 397.395 3.247 20 0 GGADHM Cc1sc(NC(=O)CN2CCc3ccccc3[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822563947 606110772 /nfs/dbraw/zinc/11/07/72/606110772.db2.gz RNGSXLSKPKTUHQ-LBPRGKRZSA-N -1 3 382.493 3.103 20 0 GGADHM Cc1sc(NC(=O)CN2CCc3ccccc3[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822563947 606110774 /nfs/dbraw/zinc/11/07/74/606110774.db2.gz RNGSXLSKPKTUHQ-LBPRGKRZSA-N -1 3 382.493 3.103 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820643128 606117008 /nfs/dbraw/zinc/11/70/08/606117008.db2.gz QNKKSFBQIHUFQC-CRAIPNDOSA-N -1 3 376.464 3.029 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820643128 606117011 /nfs/dbraw/zinc/11/70/11/606117011.db2.gz QNKKSFBQIHUFQC-CRAIPNDOSA-N -1 3 376.464 3.029 20 0 GGADHM C[C@@H](NC(=O)N1CCCC[C@@H]1c1cccn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820349310 606118506 /nfs/dbraw/zinc/11/85/06/606118506.db2.gz HICKGNLCYBZMTA-RDTXWAMCSA-N -1 3 379.468 3.203 20 0 GGADHM C[C@@H](NC(=O)N1CCCC[C@@H]1c1cccn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820349310 606118507 /nfs/dbraw/zinc/11/85/07/606118507.db2.gz HICKGNLCYBZMTA-RDTXWAMCSA-N -1 3 379.468 3.203 20 0 GGADHM CCS[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821453434 606121837 /nfs/dbraw/zinc/12/18/37/606121837.db2.gz AGKDVZJPDIRUNE-CVEARBPZSA-N -1 3 391.566 3.280 20 0 GGADHM CCS[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821453434 606121838 /nfs/dbraw/zinc/12/18/38/606121838.db2.gz AGKDVZJPDIRUNE-CVEARBPZSA-N -1 3 391.566 3.280 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)Oc1ccccc1C ZINC000821390611 606122745 /nfs/dbraw/zinc/12/27/45/606122745.db2.gz ZLZZQLFPCBBOJI-HNNXBMFYSA-N -1 3 382.420 3.337 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)Oc1ccccc1C ZINC000821390611 606122746 /nfs/dbraw/zinc/12/27/46/606122746.db2.gz ZLZZQLFPCBBOJI-HNNXBMFYSA-N -1 3 382.420 3.337 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000821389996 606122781 /nfs/dbraw/zinc/12/27/81/606122781.db2.gz SRGUCEKUBCXCHP-CYBMUJFWSA-N -1 3 382.420 3.373 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000821389996 606122782 /nfs/dbraw/zinc/12/27/82/606122782.db2.gz SRGUCEKUBCXCHP-CYBMUJFWSA-N -1 3 382.420 3.373 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(F)c1F ZINC000821104515 606127300 /nfs/dbraw/zinc/12/73/00/606127300.db2.gz GZAHKIRVDPWEBM-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(F)c1F ZINC000821104515 606127301 /nfs/dbraw/zinc/12/73/01/606127301.db2.gz GZAHKIRVDPWEBM-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM COCCN(C(=O)C(C)=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688669 606127925 /nfs/dbraw/zinc/12/79/25/606127925.db2.gz UQCRTJOQCCDQKZ-YPKPFQOOSA-N -1 3 381.411 3.089 20 0 GGADHM COCCN(C(=O)C(C)=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688669 606127927 /nfs/dbraw/zinc/12/79/27/606127927.db2.gz UQCRTJOQCCDQKZ-YPKPFQOOSA-N -1 3 381.411 3.089 20 0 GGADHM COc1cc(F)c([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821720849 606131042 /nfs/dbraw/zinc/13/10/42/606131042.db2.gz YQWOGHAIUBNYNY-SKVAFPRGSA-N -1 3 386.358 3.471 20 0 GGADHM COc1cc(F)c([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821720849 606131044 /nfs/dbraw/zinc/13/10/44/606131044.db2.gz YQWOGHAIUBNYNY-SKVAFPRGSA-N -1 3 386.358 3.471 20 0 GGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822907486 606131769 /nfs/dbraw/zinc/13/17/69/606131769.db2.gz OUNJDBGPTQUFTA-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822907486 606131770 /nfs/dbraw/zinc/13/17/70/606131770.db2.gz OUNJDBGPTQUFTA-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM COc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1Br ZINC000821723533 606139350 /nfs/dbraw/zinc/13/93/50/606139350.db2.gz CZSQFNSILHEIJO-UHFFFAOYSA-N -1 3 381.621 3.430 20 0 GGADHM COc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1Br ZINC000821723533 606139351 /nfs/dbraw/zinc/13/93/51/606139351.db2.gz CZSQFNSILHEIJO-UHFFFAOYSA-N -1 3 381.621 3.430 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC[C@]4(CCCOC4)C3)c2c1 ZINC000822754241 606144030 /nfs/dbraw/zinc/14/40/30/606144030.db2.gz XOFXPCZSILMLRR-IBGZPJMESA-N -1 3 386.406 3.090 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC[C@]4(CCCOC4)C3)c2c1 ZINC000822754241 606144032 /nfs/dbraw/zinc/14/40/32/606144032.db2.gz XOFXPCZSILMLRR-IBGZPJMESA-N -1 3 386.406 3.090 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1cccc(OCC(F)(F)F)c1 ZINC000823111439 606145262 /nfs/dbraw/zinc/14/52/62/606145262.db2.gz HZBFHEQFILVCMI-UHFFFAOYSA-N -1 3 392.337 3.094 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1cccc(OCC(F)(F)F)c1 ZINC000823111439 606145263 /nfs/dbraw/zinc/14/52/63/606145263.db2.gz HZBFHEQFILVCMI-UHFFFAOYSA-N -1 3 392.337 3.094 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000823417789 606149306 /nfs/dbraw/zinc/14/93/06/606149306.db2.gz JDFLHVWCACIYSD-IBGZPJMESA-N -1 3 395.438 3.104 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000823417789 606149308 /nfs/dbraw/zinc/14/93/08/606149308.db2.gz JDFLHVWCACIYSD-IBGZPJMESA-N -1 3 395.438 3.104 20 0 GGADHM CC(=CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819765352 606149643 /nfs/dbraw/zinc/14/96/43/606149643.db2.gz OSVBNRZISQAIKW-XYOKQWHBSA-N -1 3 397.822 3.105 20 0 GGADHM CC(=CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819765352 606149644 /nfs/dbraw/zinc/14/96/44/606149644.db2.gz OSVBNRZISQAIKW-XYOKQWHBSA-N -1 3 397.822 3.105 20 0 GGADHM CSc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000821985077 606150814 /nfs/dbraw/zinc/15/08/14/606150814.db2.gz YLWRWINNHZOBLC-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM CSc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000821985077 606150815 /nfs/dbraw/zinc/15/08/15/606150815.db2.gz YLWRWINNHZOBLC-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821453576 606151589 /nfs/dbraw/zinc/15/15/89/606151589.db2.gz ARAGGLGRYKIPKG-WFASDCNBSA-N -1 3 376.486 3.061 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821453576 606151591 /nfs/dbraw/zinc/15/15/91/606151591.db2.gz ARAGGLGRYKIPKG-WFASDCNBSA-N -1 3 376.486 3.061 20 0 GGADHM C[C@@H](Cc1ccncc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820301060 606152835 /nfs/dbraw/zinc/15/28/35/606152835.db2.gz UJWFGGVTZIPRJF-JTQLQIEISA-N -1 3 391.357 3.033 20 0 GGADHM C[C@@H](Cc1ccncc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820301060 606152838 /nfs/dbraw/zinc/15/28/38/606152838.db2.gz UJWFGGVTZIPRJF-JTQLQIEISA-N -1 3 391.357 3.033 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(F)c1F ZINC000820121614 606155119 /nfs/dbraw/zinc/15/51/19/606155119.db2.gz SAIBNYRCDOVYEN-UHFFFAOYSA-N -1 3 375.354 3.335 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(F)c1F ZINC000820121614 606155121 /nfs/dbraw/zinc/15/51/21/606155121.db2.gz SAIBNYRCDOVYEN-UHFFFAOYSA-N -1 3 375.354 3.335 20 0 GGADHM Cc1[nH]nc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1C ZINC000737203406 606157751 /nfs/dbraw/zinc/15/77/51/606157751.db2.gz STTSGCWDOJXEQN-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1[nH]nc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1C ZINC000737203406 606157753 /nfs/dbraw/zinc/15/77/53/606157753.db2.gz STTSGCWDOJXEQN-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820570848 606159718 /nfs/dbraw/zinc/15/97/18/606159718.db2.gz RSRVUYSQXISUDD-CQSZACIVSA-N -1 3 381.484 3.035 20 0 GGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820570848 606159721 /nfs/dbraw/zinc/15/97/21/606159721.db2.gz RSRVUYSQXISUDD-CQSZACIVSA-N -1 3 381.484 3.035 20 0 GGADHM CO[C@H](C)c1nc(CSCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821675545 606179802 /nfs/dbraw/zinc/17/98/02/606179802.db2.gz NUGRLUCMLURETN-LLVKDONJSA-N -1 3 377.495 3.343 20 0 GGADHM CO[C@H](C)c1nc(CSCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821675545 606179803 /nfs/dbraw/zinc/17/98/03/606179803.db2.gz NUGRLUCMLURETN-LLVKDONJSA-N -1 3 377.495 3.343 20 0 GGADHM Cc1ccccc1CN(C)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822356280 606180343 /nfs/dbraw/zinc/18/03/43/606180343.db2.gz QENMJXNNJPUIPC-UHFFFAOYSA-N -1 3 385.468 3.206 20 0 GGADHM Cc1ccccc1CN(C)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822356280 606180344 /nfs/dbraw/zinc/18/03/44/606180344.db2.gz QENMJXNNJPUIPC-UHFFFAOYSA-N -1 3 385.468 3.206 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Oc1ccc(Oc2nccs2)cc1 ZINC000823055436 606182315 /nfs/dbraw/zinc/18/23/15/606182315.db2.gz PUQWEFNGLBFYRB-UHFFFAOYSA-N -1 3 395.400 3.100 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Oc1ccc(Oc2nccs2)cc1 ZINC000823055436 606182317 /nfs/dbraw/zinc/18/23/17/606182317.db2.gz PUQWEFNGLBFYRB-UHFFFAOYSA-N -1 3 395.400 3.100 20 0 GGADHM O=C(OCCOC1CCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823404619 606182883 /nfs/dbraw/zinc/18/28/83/606182883.db2.gz CHGSMPKFPCWZCD-UHFFFAOYSA-N -1 3 394.431 3.172 20 0 GGADHM O=C(OCCOC1CCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823404619 606182884 /nfs/dbraw/zinc/18/28/84/606182884.db2.gz CHGSMPKFPCWZCD-UHFFFAOYSA-N -1 3 394.431 3.172 20 0 GGADHM Cc1ccc(CCCC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822236093 606185676 /nfs/dbraw/zinc/18/56/76/606185676.db2.gz JRHPGGOGKMSXAD-UHFFFAOYSA-N -1 3 393.476 3.384 20 0 GGADHM C[C@@H]1Sc2ccccc2N(C(=O)COc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000820818763 606191205 /nfs/dbraw/zinc/19/12/05/606191205.db2.gz BDQVQJHQRBNANE-STQMWFEESA-N -1 3 381.461 3.161 20 0 GGADHM C[C@@H]1Sc2ccccc2N(C(=O)COc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000820818763 606191207 /nfs/dbraw/zinc/19/12/07/606191207.db2.gz BDQVQJHQRBNANE-STQMWFEESA-N -1 3 381.461 3.161 20 0 GGADHM Cc1ccc2c(c1)N(Cc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)C[C@@H](C)O2 ZINC000822280851 606192162 /nfs/dbraw/zinc/19/21/62/606192162.db2.gz ZHUGAKXTWDTVQV-CYBMUJFWSA-N -1 3 389.419 3.013 20 0 GGADHM Cc1ccc2c(c1)N(Cc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)C[C@@H](C)O2 ZINC000822280851 606192164 /nfs/dbraw/zinc/19/21/64/606192164.db2.gz ZHUGAKXTWDTVQV-CYBMUJFWSA-N -1 3 389.419 3.013 20 0 GGADHM C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820350387 606193413 /nfs/dbraw/zinc/19/34/13/606193413.db2.gz KQMDSVJVBUISIB-AWEZNQCLSA-N -1 3 386.525 3.389 20 0 GGADHM C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820350387 606193416 /nfs/dbraw/zinc/19/34/16/606193416.db2.gz KQMDSVJVBUISIB-AWEZNQCLSA-N -1 3 386.525 3.389 20 0 GGADHM C[C@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348862 606193734 /nfs/dbraw/zinc/19/37/34/606193734.db2.gz GQILYHUHNIIINL-NSHDSACASA-N -1 3 386.406 3.440 20 0 GGADHM C[C@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348862 606193736 /nfs/dbraw/zinc/19/37/36/606193736.db2.gz GQILYHUHNIIINL-NSHDSACASA-N -1 3 386.406 3.440 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000822217662 606194870 /nfs/dbraw/zinc/19/48/70/606194870.db2.gz KMBCHRQKRNKPQY-OAHLLOKOSA-N -1 3 397.870 3.229 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000822217662 606194871 /nfs/dbraw/zinc/19/48/71/606194871.db2.gz KMBCHRQKRNKPQY-OAHLLOKOSA-N -1 3 397.870 3.229 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823246496 606196294 /nfs/dbraw/zinc/19/62/94/606196294.db2.gz RMEHANNYBMZAAO-UHFFFAOYSA-N -1 3 375.392 3.207 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823246496 606196296 /nfs/dbraw/zinc/19/62/96/606196296.db2.gz RMEHANNYBMZAAO-UHFFFAOYSA-N -1 3 375.392 3.207 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820728124 606196789 /nfs/dbraw/zinc/19/67/89/606196789.db2.gz TXRCTXGEKSYSHX-KPZWWZAWSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820728124 606196790 /nfs/dbraw/zinc/19/67/90/606196790.db2.gz TXRCTXGEKSYSHX-KPZWWZAWSA-N -1 3 380.427 3.129 20 0 GGADHM CCCOCCOC(=O)c1ccnc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821127528 606222699 /nfs/dbraw/zinc/22/26/99/606222699.db2.gz HVIYMGGRLDBXNG-AWEZNQCLSA-N -1 3 396.451 3.018 20 0 GGADHM CCCOCCOC(=O)c1ccnc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821127528 606222701 /nfs/dbraw/zinc/22/27/01/606222701.db2.gz HVIYMGGRLDBXNG-AWEZNQCLSA-N -1 3 396.451 3.018 20 0 GGADHM CCCOCCOC(=O)c1ccnc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821127529 606222984 /nfs/dbraw/zinc/22/29/84/606222984.db2.gz HVIYMGGRLDBXNG-CQSZACIVSA-N -1 3 396.451 3.018 20 0 GGADHM CCCOCCOC(=O)c1ccnc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821127529 606222986 /nfs/dbraw/zinc/22/29/86/606222986.db2.gz HVIYMGGRLDBXNG-CQSZACIVSA-N -1 3 396.451 3.018 20 0 GGADHM O=C1[C@@H](Nc2ccc(Cl)c(Cl)c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511620 606242663 /nfs/dbraw/zinc/24/26/63/606242663.db2.gz HRAPYZIYUSZTAK-LBPRGKRZSA-N -1 3 395.275 3.452 20 0 GGADHM O=C1[C@@H](Nc2ccc(Cl)c(Cl)c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511620 606242664 /nfs/dbraw/zinc/24/26/64/606242664.db2.gz HRAPYZIYUSZTAK-LBPRGKRZSA-N -1 3 395.275 3.452 20 0 GGADHM O=C1[C@H](Nc2ccc(Cl)cc2Cl)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823514328 606242748 /nfs/dbraw/zinc/24/27/48/606242748.db2.gz ZDVBZYJEAPLZAG-OAHLLOKOSA-N -1 3 389.246 3.391 20 0 GGADHM O=C1[C@H](Nc2ccc(Cl)cc2Cl)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823514328 606242749 /nfs/dbraw/zinc/24/27/49/606242749.db2.gz ZDVBZYJEAPLZAG-OAHLLOKOSA-N -1 3 389.246 3.391 20 0 GGADHM O=C1[C@@H](Nc2cccc(-c3nnn[n-]3)c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000823513242 606244261 /nfs/dbraw/zinc/24/42/61/606244261.db2.gz UGYIGHXUHRVTFP-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM O=C1[C@@H](Nc2cccc(-c3nn[n-]n3)c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000823513242 606244263 /nfs/dbraw/zinc/24/42/63/606244263.db2.gz UGYIGHXUHRVTFP-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM Cc1cc(C)c(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(Cl)c1 ZINC000822194179 606245629 /nfs/dbraw/zinc/24/56/29/606245629.db2.gz LUWIATAAWKQZJQ-CYBMUJFWSA-N -1 3 388.884 3.416 20 0 GGADHM Cc1cc(C)c(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(Cl)c1 ZINC000822194179 606245630 /nfs/dbraw/zinc/24/56/30/606245630.db2.gz LUWIATAAWKQZJQ-CYBMUJFWSA-N -1 3 388.884 3.416 20 0 GGADHM O=C(NCc1ccncc1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823266232 606247285 /nfs/dbraw/zinc/24/72/85/606247285.db2.gz PLGOZHQCYPADQO-UHFFFAOYSA-N -1 3 388.456 3.343 20 0 GGADHM O=C(NCc1ccncc1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823266232 606247287 /nfs/dbraw/zinc/24/72/87/606247287.db2.gz PLGOZHQCYPADQO-UHFFFAOYSA-N -1 3 388.456 3.343 20 0 GGADHM CC(C)[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccnc1 ZINC000820021114 606249448 /nfs/dbraw/zinc/24/94/48/606249448.db2.gz PJQDBQRFRZRPMO-INIZCTEOSA-N -1 3 396.499 3.380 20 0 GGADHM CC(C)[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccnc1 ZINC000820021114 606249450 /nfs/dbraw/zinc/24/94/50/606249450.db2.gz PJQDBQRFRZRPMO-INIZCTEOSA-N -1 3 396.499 3.380 20 0 GGADHM COc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821903184 606249714 /nfs/dbraw/zinc/24/97/14/606249714.db2.gz CORBYDGKBOHCQE-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM COc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821903184 606249716 /nfs/dbraw/zinc/24/97/16/606249716.db2.gz CORBYDGKBOHCQE-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM CCOc1ccc(-c2nc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)sc2C)cc1 ZINC000821401252 606249851 /nfs/dbraw/zinc/24/98/51/606249851.db2.gz TXUHQBVFPRMLKB-UHFFFAOYSA-N -1 3 395.448 3.278 20 0 GGADHM CCOc1ccc(-c2nc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)sc2C)cc1 ZINC000821401252 606249852 /nfs/dbraw/zinc/24/98/52/606249852.db2.gz TXUHQBVFPRMLKB-UHFFFAOYSA-N -1 3 395.448 3.278 20 0 GGADHM CCn1nccc1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821568178 606251111 /nfs/dbraw/zinc/25/11/11/606251111.db2.gz KRGDUFCWJGHFTM-UHFFFAOYSA-N -1 3 391.460 3.487 20 0 GGADHM CCn1nccc1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821568178 606251112 /nfs/dbraw/zinc/25/11/12/606251112.db2.gz KRGDUFCWJGHFTM-UHFFFAOYSA-N -1 3 391.460 3.487 20 0 GGADHM C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC000820397545 606251877 /nfs/dbraw/zinc/25/18/77/606251877.db2.gz QEWOSDQZNZEOPM-GUYCJALGSA-N -1 3 395.488 3.315 20 0 GGADHM C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000820397545 606251878 /nfs/dbraw/zinc/25/18/78/606251878.db2.gz QEWOSDQZNZEOPM-GUYCJALGSA-N -1 3 395.488 3.315 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1-c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000822622949 606252017 /nfs/dbraw/zinc/25/20/17/606252017.db2.gz LLNTWQYLFVUPCX-UHFFFAOYSA-N -1 3 383.415 3.435 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1-c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000822622949 606252019 /nfs/dbraw/zinc/25/20/19/606252019.db2.gz LLNTWQYLFVUPCX-UHFFFAOYSA-N -1 3 383.415 3.435 20 0 GGADHM O=C(CC[C@@H]1CCOC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822950494 606252503 /nfs/dbraw/zinc/25/25/03/606252503.db2.gz PVFJCJVKMCTPEJ-CQSZACIVSA-N -1 3 379.420 3.414 20 0 GGADHM O=C(CC[C@@H]1CCOC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822950494 606252505 /nfs/dbraw/zinc/25/25/05/606252505.db2.gz PVFJCJVKMCTPEJ-CQSZACIVSA-N -1 3 379.420 3.414 20 0 GGADHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820742745 606253609 /nfs/dbraw/zinc/25/36/09/606253609.db2.gz MVEYTZCRKUHYEX-KGLIPLIRSA-N -1 3 395.488 3.267 20 0 GGADHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820742745 606253611 /nfs/dbraw/zinc/25/36/11/606253611.db2.gz MVEYTZCRKUHYEX-KGLIPLIRSA-N -1 3 395.488 3.267 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n(C)n1 ZINC000822209587 606254301 /nfs/dbraw/zinc/25/43/01/606254301.db2.gz OXJFVGMNARPTMY-UHFFFAOYSA-N -1 3 391.460 3.312 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n(C)n1 ZINC000822209587 606254303 /nfs/dbraw/zinc/25/43/03/606254303.db2.gz OXJFVGMNARPTMY-UHFFFAOYSA-N -1 3 391.460 3.312 20 0 GGADHM CCc1cccc2c(C3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)CC3)c[nH]c21 ZINC000821492541 606260667 /nfs/dbraw/zinc/26/06/67/606260667.db2.gz QNLFGYIUFBAPIK-UHFFFAOYSA-N -1 3 389.463 3.258 20 0 GGADHM CCc1cccc2c(C3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)CC3)c[nH]c21 ZINC000821492541 606260669 /nfs/dbraw/zinc/26/06/69/606260669.db2.gz QNLFGYIUFBAPIK-UHFFFAOYSA-N -1 3 389.463 3.258 20 0 GGADHM O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139778 606262568 /nfs/dbraw/zinc/26/25/68/606262568.db2.gz MAGOTQBYAZVGSJ-HNNXBMFYSA-N -1 3 384.852 3.429 20 0 GGADHM O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139778 606262570 /nfs/dbraw/zinc/26/25/70/606262570.db2.gz MAGOTQBYAZVGSJ-HNNXBMFYSA-N -1 3 384.852 3.429 20 0 GGADHM O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139779 606262924 /nfs/dbraw/zinc/26/29/24/606262924.db2.gz MAGOTQBYAZVGSJ-OAHLLOKOSA-N -1 3 384.852 3.429 20 0 GGADHM O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139779 606262925 /nfs/dbraw/zinc/26/29/25/606262925.db2.gz MAGOTQBYAZVGSJ-OAHLLOKOSA-N -1 3 384.852 3.429 20 0 GGADHM O=C(CCCOc1ccccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822958667 606270335 /nfs/dbraw/zinc/27/03/35/606270335.db2.gz ADHUUBQFLJLQTJ-UHFFFAOYSA-N -1 3 375.791 3.457 20 0 GGADHM O=C(CCCOc1ccccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822958667 606270336 /nfs/dbraw/zinc/27/03/36/606270336.db2.gz ADHUUBQFLJLQTJ-UHFFFAOYSA-N -1 3 375.791 3.457 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000820533875 606279667 /nfs/dbraw/zinc/27/96/67/606279667.db2.gz HLTUHGCDIQOKMB-VYDXJSESSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000820533875 606279669 /nfs/dbraw/zinc/27/96/69/606279669.db2.gz HLTUHGCDIQOKMB-VYDXJSESSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820642966 606280293 /nfs/dbraw/zinc/28/02/93/606280293.db2.gz NXVYZHMFBDGXAO-KBXCAEBGSA-N -1 3 379.489 3.363 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820642966 606280295 /nfs/dbraw/zinc/28/02/95/606280295.db2.gz NXVYZHMFBDGXAO-KBXCAEBGSA-N -1 3 379.489 3.363 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(Cl)nc2ccccn21 ZINC000821122950 606283167 /nfs/dbraw/zinc/28/31/67/606283167.db2.gz DAKMBEVLSZGHHW-UHFFFAOYSA-N -1 3 396.842 3.242 20 0 GGADHM CC(C)[C@](C)(O)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820017177 606285582 /nfs/dbraw/zinc/28/55/82/606285582.db2.gz UGPGBCHAUSZDHO-HXUWFJFHSA-N -1 3 397.504 3.155 20 0 GGADHM CC(C)[C@](C)(O)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820017177 606285584 /nfs/dbraw/zinc/28/55/84/606285584.db2.gz UGPGBCHAUSZDHO-HXUWFJFHSA-N -1 3 397.504 3.155 20 0 GGADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000820239944 606289358 /nfs/dbraw/zinc/28/93/58/606289358.db2.gz AKTZDWLRVFPYQQ-JTQLQIEISA-N -1 3 378.358 3.137 20 0 GGADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000820239944 606289360 /nfs/dbraw/zinc/28/93/60/606289360.db2.gz AKTZDWLRVFPYQQ-JTQLQIEISA-N -1 3 378.358 3.137 20 0 GGADHM O=C(NCc1csc(CCc2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823266548 606296076 /nfs/dbraw/zinc/29/60/76/606296076.db2.gz YCHRTXQRLREKDN-UHFFFAOYSA-N -1 3 390.472 3.038 20 0 GGADHM O=C(NCc1csc(CCc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823266548 606296077 /nfs/dbraw/zinc/29/60/77/606296077.db2.gz YCHRTXQRLREKDN-UHFFFAOYSA-N -1 3 390.472 3.038 20 0 GGADHM COC(=O)[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821642497 606298935 /nfs/dbraw/zinc/29/89/35/606298935.db2.gz JXIJAUPUIXHIAV-CVEARBPZSA-N -1 3 399.451 3.047 20 0 GGADHM COC(=O)[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821642497 606298937 /nfs/dbraw/zinc/29/89/37/606298937.db2.gz JXIJAUPUIXHIAV-CVEARBPZSA-N -1 3 399.451 3.047 20 0 GGADHM CCCCOc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077986 606301198 /nfs/dbraw/zinc/30/11/98/606301198.db2.gz ZXNDNRFQHDKIEZ-SFHVURJKSA-N -1 3 381.436 3.372 20 0 GGADHM CCCCOc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077986 606301199 /nfs/dbraw/zinc/30/11/99/606301199.db2.gz ZXNDNRFQHDKIEZ-SFHVURJKSA-N -1 3 381.436 3.372 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(OCC(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644916 606302307 /nfs/dbraw/zinc/30/23/07/606302307.db2.gz MKQJYMXUCQXYCY-SFHVURJKSA-N -1 3 381.436 3.228 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(OCC(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644916 606302309 /nfs/dbraw/zinc/30/23/09/606302309.db2.gz MKQJYMXUCQXYCY-SFHVURJKSA-N -1 3 381.436 3.228 20 0 GGADHM CC[C@@H](C)Oc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820876173 606302907 /nfs/dbraw/zinc/30/29/07/606302907.db2.gz MRKZXICHNICTAD-MLGOLLRUSA-N -1 3 398.492 3.323 20 0 GGADHM CC[C@@H](C)Oc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000820876173 606302909 /nfs/dbraw/zinc/30/29/09/606302909.db2.gz MRKZXICHNICTAD-MLGOLLRUSA-N -1 3 398.492 3.323 20 0 GGADHM COC(=O)[C@H](NCc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821645117 606303782 /nfs/dbraw/zinc/30/37/82/606303782.db2.gz RLLRBMIMTPUGGQ-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821645117 606303784 /nfs/dbraw/zinc/30/37/84/606303784.db2.gz RLLRBMIMTPUGGQ-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM C[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820425898 606307241 /nfs/dbraw/zinc/30/72/41/606307241.db2.gz CHQWOCCBTKNRSS-VIFPVBQESA-N -1 3 387.856 3.482 20 0 GGADHM C[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820425898 606307242 /nfs/dbraw/zinc/30/72/42/606307242.db2.gz CHQWOCCBTKNRSS-VIFPVBQESA-N -1 3 387.856 3.482 20 0 GGADHM O=S(=O)(CCSCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562363 606310487 /nfs/dbraw/zinc/31/04/87/606310487.db2.gz QXPHRUMGVICWPN-UHFFFAOYSA-N -1 3 394.909 3.227 20 0 GGADHM O=S(=O)(CCSCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562363 606310488 /nfs/dbraw/zinc/31/04/88/606310488.db2.gz QXPHRUMGVICWPN-UHFFFAOYSA-N -1 3 394.909 3.227 20 0 GGADHM C[C@H](SCC(=O)C(C)(C)C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820549254 606312371 /nfs/dbraw/zinc/31/23/71/606312371.db2.gz LHTLKFORMWNQQX-VIFPVBQESA-N -1 3 393.538 3.092 20 0 GGADHM C[C@H](SCC(=O)C(C)(C)C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820549254 606312372 /nfs/dbraw/zinc/31/23/72/606312372.db2.gz LHTLKFORMWNQQX-VIFPVBQESA-N -1 3 393.538 3.092 20 0 GGADHM C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820549253 606312374 /nfs/dbraw/zinc/31/23/74/606312374.db2.gz LHTLKFORMWNQQX-SECBINFHSA-N -1 3 393.538 3.092 20 0 GGADHM C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820549253 606312375 /nfs/dbraw/zinc/31/23/75/606312375.db2.gz LHTLKFORMWNQQX-SECBINFHSA-N -1 3 393.538 3.092 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000821652796 606313112 /nfs/dbraw/zinc/31/31/12/606313112.db2.gz ZWCRZMAQZZHBEN-HXUWFJFHSA-N -1 3 391.475 3.036 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820938922 606313144 /nfs/dbraw/zinc/31/31/44/606313144.db2.gz ORXBXVVONSMNLO-AWEZNQCLSA-N -1 3 375.791 3.455 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820938922 606313146 /nfs/dbraw/zinc/31/31/46/606313146.db2.gz ORXBXVVONSMNLO-AWEZNQCLSA-N -1 3 375.791 3.455 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H](O)C1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823150000 606315631 /nfs/dbraw/zinc/31/56/31/606315631.db2.gz JTOMXGBDKQSHOH-HUUCEWRRSA-N -1 3 395.488 3.051 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H](O)C1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823150000 606315633 /nfs/dbraw/zinc/31/56/33/606315633.db2.gz JTOMXGBDKQSHOH-HUUCEWRRSA-N -1 3 395.488 3.051 20 0 GGADHM Cc1nnc(Sc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c(C)c2)s1 ZINC000822515988 606318797 /nfs/dbraw/zinc/31/87/97/606318797.db2.gz SDNGEVYSGURHDJ-UHFFFAOYSA-N -1 3 398.477 3.067 20 0 GGADHM Cc1nnc(Sc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c(C)c2)s1 ZINC000822515988 606318799 /nfs/dbraw/zinc/31/87/99/606318799.db2.gz SDNGEVYSGURHDJ-UHFFFAOYSA-N -1 3 398.477 3.067 20 0 GGADHM COC(=O)[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642848 606320363 /nfs/dbraw/zinc/32/03/63/606320363.db2.gz QKNUGCYEMPUUIJ-OALUTQOASA-N -1 3 395.438 3.351 20 0 GGADHM COC(=O)[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642848 606320365 /nfs/dbraw/zinc/32/03/65/606320365.db2.gz QKNUGCYEMPUUIJ-OALUTQOASA-N -1 3 395.438 3.351 20 0 GGADHM CC[C@@H]1COCCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821001642 606321715 /nfs/dbraw/zinc/32/17/15/606321715.db2.gz SCKLWVMXRSGUNK-OAHLLOKOSA-N -1 3 395.488 3.269 20 0 GGADHM CC[C@@H]1COCCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821001642 606321716 /nfs/dbraw/zinc/32/17/16/606321716.db2.gz SCKLWVMXRSGUNK-OAHLLOKOSA-N -1 3 395.488 3.269 20 0 GGADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000821082127 606323332 /nfs/dbraw/zinc/32/33/32/606323332.db2.gz GYCXJRQJMFQWJI-DLBZAZTESA-N -1 3 386.500 3.175 20 0 GGADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000821082127 606323334 /nfs/dbraw/zinc/32/33/34/606323334.db2.gz GYCXJRQJMFQWJI-DLBZAZTESA-N -1 3 386.500 3.175 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cncn1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822206109 606323937 /nfs/dbraw/zinc/32/39/37/606323937.db2.gz UUNOKHCCBQVWBQ-UHFFFAOYSA-N -1 3 377.427 3.255 20 0 GGADHM Cc1cc(=O)oc2cc(OCCSc3cccc(-c4nnn[n-]4)c3)ccc12 ZINC000822161019 606326451 /nfs/dbraw/zinc/32/64/51/606326451.db2.gz NHXKJTBIPWNDGX-UHFFFAOYSA-N -1 3 380.429 3.453 20 0 GGADHM Cc1cc(=O)oc2cc(OCCSc3cccc(-c4nn[n-]n4)c3)ccc12 ZINC000822161019 606326452 /nfs/dbraw/zinc/32/64/52/606326452.db2.gz NHXKJTBIPWNDGX-UHFFFAOYSA-N -1 3 380.429 3.453 20 0 GGADHM CC(C)N1CCC[C@H](Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)C1=O ZINC000820134021 606329124 /nfs/dbraw/zinc/32/91/24/606329124.db2.gz VSPWNWXEJQTITG-KRWDZBQOSA-N -1 3 394.504 3.420 20 0 GGADHM CC(C)N1CCC[C@H](Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)C1=O ZINC000820134021 606329126 /nfs/dbraw/zinc/32/91/26/606329126.db2.gz VSPWNWXEJQTITG-KRWDZBQOSA-N -1 3 394.504 3.420 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)Oc1ccccc1F ZINC000821389575 606335892 /nfs/dbraw/zinc/33/58/92/606335892.db2.gz PESPKXBJPDSVGG-AWEZNQCLSA-N -1 3 386.383 3.168 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)Oc1ccccc1F ZINC000821389575 606335894 /nfs/dbraw/zinc/33/58/94/606335894.db2.gz PESPKXBJPDSVGG-AWEZNQCLSA-N -1 3 386.383 3.168 20 0 GGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820938851 606335902 /nfs/dbraw/zinc/33/59/02/606335902.db2.gz NTQPDKUDHHXNFA-CQSZACIVSA-N -1 3 375.791 3.455 20 0 GGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820938851 606335904 /nfs/dbraw/zinc/33/59/04/606335904.db2.gz NTQPDKUDHHXNFA-CQSZACIVSA-N -1 3 375.791 3.455 20 0 GGADHM C[C@@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488073 606338626 /nfs/dbraw/zinc/33/86/26/606338626.db2.gz KRQVTKPATMAXJR-BEFAXECRSA-N -1 3 377.448 3.136 20 0 GGADHM C[C@H](OC(=O)c1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519538 606339068 /nfs/dbraw/zinc/33/90/68/606339068.db2.gz WBAREKHAQFQSRU-NSHDSACASA-N -1 3 378.417 3.303 20 0 GGADHM C[C@H](OC(=O)c1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519538 606339070 /nfs/dbraw/zinc/33/90/70/606339070.db2.gz WBAREKHAQFQSRU-NSHDSACASA-N -1 3 378.417 3.303 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820532951 606339305 /nfs/dbraw/zinc/33/93/05/606339305.db2.gz ACKRKTOHMBWMFU-KBPBESRZSA-N -1 3 378.432 3.427 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820532951 606339307 /nfs/dbraw/zinc/33/93/07/606339307.db2.gz ACKRKTOHMBWMFU-KBPBESRZSA-N -1 3 378.432 3.427 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820532954 606339432 /nfs/dbraw/zinc/33/94/32/606339432.db2.gz ACKRKTOHMBWMFU-ZIAGYGMSSA-N -1 3 378.432 3.427 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820532954 606339434 /nfs/dbraw/zinc/33/94/34/606339434.db2.gz ACKRKTOHMBWMFU-ZIAGYGMSSA-N -1 3 378.432 3.427 20 0 GGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cnn(C(C)C)c2n1 ZINC000822182871 606343208 /nfs/dbraw/zinc/34/32/08/606343208.db2.gz BPLAQBBQURPFOG-CYBMUJFWSA-N -1 3 391.435 3.419 20 0 GGADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cnn(C(C)C)c2n1 ZINC000822182871 606343209 /nfs/dbraw/zinc/34/32/09/606343209.db2.gz BPLAQBBQURPFOG-CYBMUJFWSA-N -1 3 391.435 3.419 20 0 GGADHM CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819976376 606343367 /nfs/dbraw/zinc/34/33/67/606343367.db2.gz VGZGVYCXTRTOEC-OAHLLOKOSA-N -1 3 398.446 3.156 20 0 GGADHM CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819976376 606343369 /nfs/dbraw/zinc/34/33/69/606343369.db2.gz VGZGVYCXTRTOEC-OAHLLOKOSA-N -1 3 398.446 3.156 20 0 GGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cnn(C(C)C)c2n1 ZINC000822182872 606343441 /nfs/dbraw/zinc/34/34/41/606343441.db2.gz BPLAQBBQURPFOG-ZDUSSCGKSA-N -1 3 391.435 3.419 20 0 GGADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cnn(C(C)C)c2n1 ZINC000822182872 606343444 /nfs/dbraw/zinc/34/34/44/606343444.db2.gz BPLAQBBQURPFOG-ZDUSSCGKSA-N -1 3 391.435 3.419 20 0 GGADHM CCC[C@@](C)(CO)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821009608 606344324 /nfs/dbraw/zinc/34/43/24/606344324.db2.gz WUHUXRGWQSAVIF-FQEVSTJZSA-N -1 3 396.451 3.332 20 0 GGADHM CCC[C@@](C)(CO)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821009608 606344326 /nfs/dbraw/zinc/34/43/26/606344326.db2.gz WUHUXRGWQSAVIF-FQEVSTJZSA-N -1 3 396.451 3.332 20 0 GGADHM C[C@@H](OC(=O)CSc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495238 606345762 /nfs/dbraw/zinc/34/57/62/606345762.db2.gz FGEYNXCZLHGOSQ-LLVKDONJSA-N -1 3 381.417 3.404 20 0 GGADHM C[C@@H](OC(=O)CSc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495238 606345764 /nfs/dbraw/zinc/34/57/64/606345764.db2.gz FGEYNXCZLHGOSQ-LLVKDONJSA-N -1 3 381.417 3.404 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H](c1ccccc1)C1CCOCC1 ZINC000823344314 606346464 /nfs/dbraw/zinc/34/64/64/606346464.db2.gz UWAWKTOLZVSWQA-GOSISDBHSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H](c1ccccc1)C1CCOCC1 ZINC000823344314 606346466 /nfs/dbraw/zinc/34/64/66/606346466.db2.gz UWAWKTOLZVSWQA-GOSISDBHSA-N -1 3 396.426 3.295 20 0 GGADHM CC(C)C(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820011754 606347260 /nfs/dbraw/zinc/34/72/60/606347260.db2.gz POFVXOOKXRJETQ-ZDUSSCGKSA-N -1 3 379.420 3.379 20 0 GGADHM CC(C)C(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820011754 606347262 /nfs/dbraw/zinc/34/72/62/606347262.db2.gz POFVXOOKXRJETQ-ZDUSSCGKSA-N -1 3 379.420 3.379 20 0 GGADHM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000821988607 606348102 /nfs/dbraw/zinc/34/81/02/606348102.db2.gz FKGLVEQKNMARHA-ZDUSSCGKSA-N -1 3 398.492 3.232 20 0 GGADHM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000821988607 606348104 /nfs/dbraw/zinc/34/81/04/606348104.db2.gz FKGLVEQKNMARHA-ZDUSSCGKSA-N -1 3 398.492 3.232 20 0 GGADHM COc1ccc(OCCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821843250 606350196 /nfs/dbraw/zinc/35/01/96/606350196.db2.gz ZYAFCZLHUNNVCU-AWEZNQCLSA-N -1 3 382.420 3.339 20 0 GGADHM COc1ccc(OCCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821843250 606350198 /nfs/dbraw/zinc/35/01/98/606350198.db2.gz ZYAFCZLHUNNVCU-AWEZNQCLSA-N -1 3 382.420 3.339 20 0 GGADHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823350311 606354042 /nfs/dbraw/zinc/35/40/42/606354042.db2.gz IQACBHPFNFYQQP-HNNXBMFYSA-N -1 3 398.398 3.208 20 0 GGADHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823350311 606354044 /nfs/dbraw/zinc/35/40/44/606354044.db2.gz IQACBHPFNFYQQP-HNNXBMFYSA-N -1 3 398.398 3.208 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821790370 606354355 /nfs/dbraw/zinc/35/43/55/606354355.db2.gz MSMDXIGICHOHGA-GFCCVEGCSA-N -1 3 384.415 3.157 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821790370 606354356 /nfs/dbraw/zinc/35/43/56/606354356.db2.gz MSMDXIGICHOHGA-GFCCVEGCSA-N -1 3 384.415 3.157 20 0 GGADHM C[C@@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820489109 606359470 /nfs/dbraw/zinc/35/94/70/606359470.db2.gz ZHOMHFRGIYHDSB-GFCCVEGCSA-N -1 3 389.456 3.164 20 0 GGADHM C[C@@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820489109 606359472 /nfs/dbraw/zinc/35/94/72/606359472.db2.gz ZHOMHFRGIYHDSB-GFCCVEGCSA-N -1 3 389.456 3.164 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000822323643 606359694 /nfs/dbraw/zinc/35/96/94/606359694.db2.gz LOSQBEYBBAMLHZ-UHFFFAOYSA-N -1 3 395.442 3.423 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000822323643 606359695 /nfs/dbraw/zinc/35/96/95/606359695.db2.gz LOSQBEYBBAMLHZ-UHFFFAOYSA-N -1 3 395.442 3.423 20 0 GGADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)n1cccn1 ZINC000819882935 606360650 /nfs/dbraw/zinc/36/06/50/606360650.db2.gz CZRMFVPDTYGZCG-ZDUSSCGKSA-N -1 3 376.376 3.022 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(Oc2ccccc2)o1 ZINC000821699425 606361039 /nfs/dbraw/zinc/36/10/39/606361039.db2.gz PGQFJWKZVGMEFL-UHFFFAOYSA-N -1 3 378.344 3.480 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(Oc2ccccc2)o1 ZINC000821699425 606361041 /nfs/dbraw/zinc/36/10/41/606361041.db2.gz PGQFJWKZVGMEFL-UHFFFAOYSA-N -1 3 378.344 3.480 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821457398 606364613 /nfs/dbraw/zinc/36/46/13/606364613.db2.gz WGXUPMXNLLJYHR-CVEARBPZSA-N -1 3 391.566 3.280 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821457398 606364615 /nfs/dbraw/zinc/36/46/15/606364615.db2.gz WGXUPMXNLLJYHR-CVEARBPZSA-N -1 3 391.566 3.280 20 0 GGADHM CC[C@@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1Cl ZINC000820902547 606366731 /nfs/dbraw/zinc/36/67/31/606366731.db2.gz MQXGKOLPGYBPGN-HNNXBMFYSA-N -1 3 385.855 3.036 20 0 GGADHM CC[C@@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Cl ZINC000820902547 606366734 /nfs/dbraw/zinc/36/67/34/606366734.db2.gz MQXGKOLPGYBPGN-HNNXBMFYSA-N -1 3 385.855 3.036 20 0 GGADHM CCCCCn1nc(C)cc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821061519 606367605 /nfs/dbraw/zinc/36/76/05/606367605.db2.gz PEPPKEYIGHNLTQ-UHFFFAOYSA-N -1 3 399.524 3.434 20 0 GGADHM CCCCCn1nc(C)cc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821061519 606367607 /nfs/dbraw/zinc/36/76/07/606367607.db2.gz PEPPKEYIGHNLTQ-UHFFFAOYSA-N -1 3 399.524 3.434 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@H](C)c1ccccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821647164 606378677 /nfs/dbraw/zinc/37/86/77/606378677.db2.gz UXEHRHJXRSNKNT-IFXJQAMLSA-N -1 3 394.431 3.126 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@H](C)c1ccccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821647164 606378679 /nfs/dbraw/zinc/37/86/79/606378679.db2.gz UXEHRHJXRSNKNT-IFXJQAMLSA-N -1 3 394.431 3.126 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1F ZINC000823594183 606379515 /nfs/dbraw/zinc/37/95/15/606379515.db2.gz DFIIKZCTZTVNIX-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1F ZINC000823594183 606379516 /nfs/dbraw/zinc/37/95/16/606379516.db2.gz DFIIKZCTZTVNIX-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM CC[C@@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)Oc1ccccc1F ZINC000820907073 606381996 /nfs/dbraw/zinc/38/19/96/606381996.db2.gz AOAZEZSFFQJSBZ-AWEZNQCLSA-N -1 3 384.415 3.293 20 0 GGADHM CC[C@@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)Oc1ccccc1F ZINC000820907073 606381997 /nfs/dbraw/zinc/38/19/97/606381997.db2.gz AOAZEZSFFQJSBZ-AWEZNQCLSA-N -1 3 384.415 3.293 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000821407776 606382243 /nfs/dbraw/zinc/38/22/43/606382243.db2.gz XAAQWPHIJWZENF-DOMZBBRYSA-N -1 3 376.486 3.061 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000821407776 606382244 /nfs/dbraw/zinc/38/22/44/606382244.db2.gz XAAQWPHIJWZENF-DOMZBBRYSA-N -1 3 376.486 3.061 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)N[C@@H]1CCCSC1 ZINC000823350409 606383478 /nfs/dbraw/zinc/38/34/78/606383478.db2.gz LXRJSFXNGDNYAZ-CQSZACIVSA-N -1 3 397.464 3.071 20 0 GGADHM C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820489022 606399183 /nfs/dbraw/zinc/39/91/83/606399183.db2.gz YDWPKRFZYWTLOH-NSHDSACASA-N -1 3 386.358 3.412 20 0 GGADHM C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820489022 606399184 /nfs/dbraw/zinc/39/91/84/606399184.db2.gz YDWPKRFZYWTLOH-NSHDSACASA-N -1 3 386.358 3.412 20 0 GGADHM CC(C)C[C@@H](C)N(C)C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820054958 606404031 /nfs/dbraw/zinc/40/40/31/606404031.db2.gz DYMLRVZCEHYEHX-LLVKDONJSA-N -1 3 384.406 3.190 20 0 GGADHM CC(C)C[C@@H](C)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820054958 606404033 /nfs/dbraw/zinc/40/40/33/606404033.db2.gz DYMLRVZCEHYEHX-LLVKDONJSA-N -1 3 384.406 3.190 20 0 GGADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822258848 606409074 /nfs/dbraw/zinc/40/90/74/606409074.db2.gz FCAIHMSEGCFLPO-JTQLQIEISA-N -1 3 377.351 3.033 20 0 GGADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822258848 606409075 /nfs/dbraw/zinc/40/90/75/606409075.db2.gz FCAIHMSEGCFLPO-JTQLQIEISA-N -1 3 377.351 3.033 20 0 GGADHM CN(C(=O)Cc1csc(C(C)(C)C)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571796 606412578 /nfs/dbraw/zinc/41/25/78/606412578.db2.gz FWQZHXCKETXBJW-UHFFFAOYSA-N -1 3 390.900 3.480 20 0 GGADHM CN(C(=O)Cc1csc(C(C)(C)C)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571796 606412579 /nfs/dbraw/zinc/41/25/79/606412579.db2.gz FWQZHXCKETXBJW-UHFFFAOYSA-N -1 3 390.900 3.480 20 0 GGADHM Cc1noc(C)c1CSCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822522726 606415174 /nfs/dbraw/zinc/41/51/74/606415174.db2.gz KVOJIMMTNKKCIT-UHFFFAOYSA-N -1 3 392.872 3.021 20 0 GGADHM Cc1noc(C)c1CSCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822522726 606415176 /nfs/dbraw/zinc/41/51/76/606415176.db2.gz KVOJIMMTNKKCIT-UHFFFAOYSA-N -1 3 392.872 3.021 20 0 GGADHM CC[C@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000820908497 606416191 /nfs/dbraw/zinc/41/61/91/606416191.db2.gz MOUZZMVBWFDHEW-CQSZACIVSA-N -1 3 382.493 3.319 20 0 GGADHM CC[C@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)Oc1cccc(C)c1 ZINC000820908497 606416194 /nfs/dbraw/zinc/41/61/94/606416194.db2.gz MOUZZMVBWFDHEW-CQSZACIVSA-N -1 3 382.493 3.319 20 0 GGADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](O)c1c(F)cccc1F ZINC000820926317 606419175 /nfs/dbraw/zinc/41/91/75/606419175.db2.gz QVRASXGYSSOXQL-JSGCOSHPSA-N -1 3 380.786 3.117 20 0 GGADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](O)c1c(F)cccc1F ZINC000820926317 606419177 /nfs/dbraw/zinc/41/91/77/606419177.db2.gz QVRASXGYSSOXQL-JSGCOSHPSA-N -1 3 380.786 3.117 20 0 GGADHM COc1ccc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)cn1 ZINC000821824503 606429495 /nfs/dbraw/zinc/42/94/95/606429495.db2.gz KSTLFHNAHZMJAS-UHFFFAOYSA-N -1 3 382.371 3.285 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CC(F)(F)F)C1CCCC1 ZINC000823060422 606430989 /nfs/dbraw/zinc/43/09/89/606430989.db2.gz BJXSBLDSLZIAFC-UHFFFAOYSA-N -1 3 385.415 3.292 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CC(F)(F)F)C1CCCC1 ZINC000823060422 606430991 /nfs/dbraw/zinc/43/09/91/606430991.db2.gz BJXSBLDSLZIAFC-UHFFFAOYSA-N -1 3 385.415 3.292 20 0 GGADHM CN(Cc1cscn1)Cc1cccc(Nc2ncccc2-c2nnn[n-]2)c1 ZINC000821614353 606431942 /nfs/dbraw/zinc/43/19/42/606431942.db2.gz BORIUDHISSBKRN-UHFFFAOYSA-N -1 3 378.465 3.094 20 0 GGADHM CN(Cc1cscn1)Cc1cccc(Nc2ncccc2-c2nn[n-]n2)c1 ZINC000821614353 606431943 /nfs/dbraw/zinc/43/19/43/606431943.db2.gz BORIUDHISSBKRN-UHFFFAOYSA-N -1 3 378.465 3.094 20 0 GGADHM O=[S@@](Cc1cccc(Nc2ncccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000823614572 606433078 /nfs/dbraw/zinc/43/30/78/606433078.db2.gz QSKMMFTUPZOICW-MHZLTWQESA-N -1 3 376.445 3.313 20 0 GGADHM O=[S@@](Cc1cccc(Nc2ncccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000823614572 606433080 /nfs/dbraw/zinc/43/30/80/606433080.db2.gz QSKMMFTUPZOICW-MHZLTWQESA-N -1 3 376.445 3.313 20 0 GGADHM Cc1cc2nc(NC(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)oc2c(C)c1 ZINC000822196214 606434929 /nfs/dbraw/zinc/43/49/29/606434929.db2.gz AEKYPWIRQYBUSL-GFCCVEGCSA-N -1 3 378.392 3.031 20 0 GGADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820717691 606438280 /nfs/dbraw/zinc/43/82/80/606438280.db2.gz UJNMZHLBCVYNSU-NWDGAFQWSA-N -1 3 383.481 3.176 20 0 GGADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820717691 606438282 /nfs/dbraw/zinc/43/82/82/606438282.db2.gz UJNMZHLBCVYNSU-NWDGAFQWSA-N -1 3 383.481 3.176 20 0 GGADHM COc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccn1C ZINC000821882454 606444523 /nfs/dbraw/zinc/44/45/23/606444523.db2.gz BBIUNSQVZXUKLS-QGZVFWFLSA-N -1 3 395.854 3.464 20 0 GGADHM COc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccn1C ZINC000821882454 606444524 /nfs/dbraw/zinc/44/45/24/606444524.db2.gz BBIUNSQVZXUKLS-QGZVFWFLSA-N -1 3 395.854 3.464 20 0 GGADHM C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000820715236 606446343 /nfs/dbraw/zinc/44/63/43/606446343.db2.gz ABMIVGDNEPFSNC-GJZGRUSLSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)[C@H]1C ZINC000820715236 606446345 /nfs/dbraw/zinc/44/63/45/606446345.db2.gz ABMIVGDNEPFSNC-GJZGRUSLSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000820717783 606446586 /nfs/dbraw/zinc/44/65/86/606446586.db2.gz WEKMMQRTPJWXCL-GJZGRUSLSA-N -1 3 377.448 3.316 20 0 GGADHM O=C1NCc2cccc(NCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000823548134 606447664 /nfs/dbraw/zinc/44/76/64/606447664.db2.gz USAMAHGCUZAQSR-UHFFFAOYSA-N -1 3 382.427 3.389 20 0 GGADHM O=C1NCc2cccc(NCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000823548134 606447665 /nfs/dbraw/zinc/44/76/65/606447665.db2.gz USAMAHGCUZAQSR-UHFFFAOYSA-N -1 3 382.427 3.389 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000820151460 606449633 /nfs/dbraw/zinc/44/96/33/606449633.db2.gz HYSILCUGNKZEBN-OAHLLOKOSA-N -1 3 394.479 3.285 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000820151460 606449635 /nfs/dbraw/zinc/44/96/35/606449635.db2.gz HYSILCUGNKZEBN-OAHLLOKOSA-N -1 3 394.479 3.285 20 0 GGADHM OC[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000823705067 606452623 /nfs/dbraw/zinc/45/26/23/606452623.db2.gz DYAWGRDDNUKCEQ-CYBMUJFWSA-N -1 3 377.370 3.149 20 0 GGADHM OC[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000823705067 606452624 /nfs/dbraw/zinc/45/26/24/606452624.db2.gz DYAWGRDDNUKCEQ-CYBMUJFWSA-N -1 3 377.370 3.149 20 0 GGADHM Cc1c(NCc2cc(-c3nnn[n-]3)ccc2F)cccc1C(=O)N1CCCC1 ZINC000822121941 606454229 /nfs/dbraw/zinc/45/42/29/606454229.db2.gz IPZHTLRMFZHIHH-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM Cc1c(NCc2cc(-c3nn[n-]n3)ccc2F)cccc1C(=O)N1CCCC1 ZINC000822121941 606454230 /nfs/dbraw/zinc/45/42/30/606454230.db2.gz IPZHTLRMFZHIHH-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822167117 606454689 /nfs/dbraw/zinc/45/46/89/606454689.db2.gz BDNWXQIDKYKYHQ-UHFFFAOYSA-N -1 3 382.443 3.312 20 0 GGADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822167117 606454691 /nfs/dbraw/zinc/45/46/91/606454691.db2.gz BDNWXQIDKYKYHQ-UHFFFAOYSA-N -1 3 382.443 3.312 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000820327689 606457144 /nfs/dbraw/zinc/45/71/44/606457144.db2.gz IJKBBESSUDIRFU-ZDUSSCGKSA-N -1 3 390.422 3.448 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000820327689 606457145 /nfs/dbraw/zinc/45/71/45/606457145.db2.gz IJKBBESSUDIRFU-ZDUSSCGKSA-N -1 3 390.422 3.448 20 0 GGADHM OCCOc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(C(F)(F)F)c1 ZINC000823721715 606458102 /nfs/dbraw/zinc/45/81/02/606458102.db2.gz HUBSPWMVVRTXIL-UHFFFAOYSA-N -1 3 397.332 3.008 20 0 GGADHM OCCOc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(C(F)(F)F)c1 ZINC000823721715 606458103 /nfs/dbraw/zinc/45/81/03/606458103.db2.gz HUBSPWMVVRTXIL-UHFFFAOYSA-N -1 3 397.332 3.008 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000819940282 606458423 /nfs/dbraw/zinc/45/84/23/606458423.db2.gz VPWPGBUCQOCLIS-GFCCVEGCSA-N -1 3 378.864 3.014 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000819940282 606458425 /nfs/dbraw/zinc/45/84/25/606458425.db2.gz VPWPGBUCQOCLIS-GFCCVEGCSA-N -1 3 378.864 3.014 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822773917 606459506 /nfs/dbraw/zinc/45/95/06/606459506.db2.gz AFONNQOELXIGHY-OAHLLOKOSA-N -1 3 379.374 3.430 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822773917 606459508 /nfs/dbraw/zinc/45/95/08/606459508.db2.gz AFONNQOELXIGHY-OAHLLOKOSA-N -1 3 379.374 3.430 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821941832 606460695 /nfs/dbraw/zinc/46/06/95/606460695.db2.gz JWNICZJCTAGUKV-VWLOTQADSA-N -1 3 379.848 3.150 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821941832 606460696 /nfs/dbraw/zinc/46/06/96/606460696.db2.gz JWNICZJCTAGUKV-VWLOTQADSA-N -1 3 379.848 3.150 20 0 GGADHM CN(CCc1ccncc1)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000821607297 606462439 /nfs/dbraw/zinc/46/24/39/606462439.db2.gz IQFIRTGWRVMMSF-UHFFFAOYSA-N -1 3 397.389 3.090 20 0 GGADHM CN(CCc1ccncc1)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000821607297 606462440 /nfs/dbraw/zinc/46/24/40/606462440.db2.gz IQFIRTGWRVMMSF-UHFFFAOYSA-N -1 3 397.389 3.090 20 0 GGADHM Fc1cc(F)cc(-c2nc(Sc3ccc(Cl)c(-c4nnn[n-]4)n3)n[nH]2)c1 ZINC000822753992 606469189 /nfs/dbraw/zinc/46/91/89/606469189.db2.gz VMGCODFZPQFIDM-UHFFFAOYSA-N -1 3 392.782 3.130 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000820333650 606493093 /nfs/dbraw/zinc/49/30/93/606493093.db2.gz FPMZYFLQXXBZPI-LLVKDONJSA-N -1 3 386.253 3.049 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000820333650 606493095 /nfs/dbraw/zinc/49/30/95/606493095.db2.gz FPMZYFLQXXBZPI-LLVKDONJSA-N -1 3 386.253 3.049 20 0 GGADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323428 606495942 /nfs/dbraw/zinc/49/59/42/606495942.db2.gz NTQRMDCCUBUDCD-UHFFFAOYSA-N -1 3 396.476 3.197 20 0 GGADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323428 606495944 /nfs/dbraw/zinc/49/59/44/606495944.db2.gz NTQRMDCCUBUDCD-UHFFFAOYSA-N -1 3 396.476 3.197 20 0 GGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1F ZINC000821573641 606497323 /nfs/dbraw/zinc/49/73/23/606497323.db2.gz YLNIXBMIAXMWLS-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1F ZINC000821573641 606497321 /nfs/dbraw/zinc/49/73/21/606497321.db2.gz YLNIXBMIAXMWLS-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823358760 606497715 /nfs/dbraw/zinc/49/77/15/606497715.db2.gz DRYGAPDXFISQQP-UHFFFAOYSA-N -1 3 391.460 3.380 20 0 GGADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823358760 606497717 /nfs/dbraw/zinc/49/77/17/606497717.db2.gz DRYGAPDXFISQQP-UHFFFAOYSA-N -1 3 391.460 3.380 20 0 GGADHM Cc1cc(Cl)ccc1OCCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822202237 606498115 /nfs/dbraw/zinc/49/81/15/606498115.db2.gz RLRZLSRDQBFZER-UHFFFAOYSA-N -1 3 377.857 3.089 20 0 GGADHM Cc1cc(Cl)ccc1OCCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822202237 606498116 /nfs/dbraw/zinc/49/81/16/606498116.db2.gz RLRZLSRDQBFZER-UHFFFAOYSA-N -1 3 377.857 3.089 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821858968 606499013 /nfs/dbraw/zinc/49/90/13/606499013.db2.gz JVFBCSJAKNAOBP-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823373238 606501685 /nfs/dbraw/zinc/50/16/85/606501685.db2.gz UGIOIRODDKIVHB-UHFFFAOYSA-N -1 3 381.446 3.122 20 0 GGADHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823373238 606501686 /nfs/dbraw/zinc/50/16/86/606501686.db2.gz UGIOIRODDKIVHB-UHFFFAOYSA-N -1 3 381.446 3.122 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000820335409 606503045 /nfs/dbraw/zinc/50/30/45/606503045.db2.gz YBKRKQSACCADHC-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000820335409 606503047 /nfs/dbraw/zinc/50/30/47/606503047.db2.gz YBKRKQSACCADHC-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM COc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1OC1CCCC1 ZINC000821831475 606503425 /nfs/dbraw/zinc/50/34/25/606503425.db2.gz APNVQAYFAYSOJL-UHFFFAOYSA-N -1 3 393.447 3.378 20 0 GGADHM COc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1OC1CCCC1 ZINC000821831475 606503427 /nfs/dbraw/zinc/50/34/27/606503427.db2.gz APNVQAYFAYSOJL-UHFFFAOYSA-N -1 3 393.447 3.378 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000823092341 606504106 /nfs/dbraw/zinc/50/41/06/606504106.db2.gz DDBAKCGITTZWDO-NRFANRHFSA-N -1 3 387.418 3.454 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000823092341 606504108 /nfs/dbraw/zinc/50/41/08/606504108.db2.gz DDBAKCGITTZWDO-NRFANRHFSA-N -1 3 387.418 3.454 20 0 GGADHM CCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1OC ZINC000821083063 606505162 /nfs/dbraw/zinc/50/51/62/606505162.db2.gz SJHKPXWJNWYPSP-OAHLLOKOSA-N -1 3 379.464 3.418 20 0 GGADHM CCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1OC ZINC000821083063 606505163 /nfs/dbraw/zinc/50/51/63/606505163.db2.gz SJHKPXWJNWYPSP-OAHLLOKOSA-N -1 3 379.464 3.418 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000820842084 606506923 /nfs/dbraw/zinc/50/69/23/606506923.db2.gz JFYMRZOGPFYWKZ-CYBMUJFWSA-N -1 3 376.342 3.413 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000820842084 606506925 /nfs/dbraw/zinc/50/69/25/606506925.db2.gz JFYMRZOGPFYWKZ-CYBMUJFWSA-N -1 3 376.342 3.413 20 0 GGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821903084 606507917 /nfs/dbraw/zinc/50/79/17/606507917.db2.gz APMCFAXDEMYHCO-LLVKDONJSA-N -1 3 389.506 3.095 20 0 GGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821903084 606507918 /nfs/dbraw/zinc/50/79/18/606507918.db2.gz APMCFAXDEMYHCO-LLVKDONJSA-N -1 3 389.506 3.095 20 0 GGADHM COc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1OC1CCCC1 ZINC000821867397 606512412 /nfs/dbraw/zinc/51/24/12/606512412.db2.gz FGEBNZKNDCCNIT-UHFFFAOYSA-N -1 3 399.476 3.188 20 0 GGADHM COc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c1OC1CCCC1 ZINC000821867397 606512414 /nfs/dbraw/zinc/51/24/14/606512414.db2.gz FGEBNZKNDCCNIT-UHFFFAOYSA-N -1 3 399.476 3.188 20 0 GGADHM COC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000821683636 606514656 /nfs/dbraw/zinc/51/46/56/606514656.db2.gz GPPGZJKIFRGETL-GFCCVEGCSA-N -1 3 397.382 3.065 20 0 GGADHM COC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000821683636 606514657 /nfs/dbraw/zinc/51/46/57/606514657.db2.gz GPPGZJKIFRGETL-GFCCVEGCSA-N -1 3 397.382 3.065 20 0 GGADHM Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822693843 606518575 /nfs/dbraw/zinc/51/85/75/606518575.db2.gz LJLSDIWTNFNMTL-SFHVURJKSA-N -1 3 388.431 3.131 20 0 GGADHM Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822693843 606518577 /nfs/dbraw/zinc/51/85/77/606518577.db2.gz LJLSDIWTNFNMTL-SFHVURJKSA-N -1 3 388.431 3.131 20 0 GGADHM O=C(CN1CCCC[C@H]1c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822997702 606522021 /nfs/dbraw/zinc/52/20/21/606522021.db2.gz UWEWZYORENVXHF-SFHVURJKSA-N -1 3 380.427 3.172 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000821649696 606524206 /nfs/dbraw/zinc/52/42/06/606524206.db2.gz BFHKWBIRKIGLRK-IBGZPJMESA-N -1 3 395.438 3.100 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000823087035 606533016 /nfs/dbraw/zinc/53/30/16/606533016.db2.gz DBKPUVZBHLUGQS-KRWDZBQOSA-N -1 3 381.867 3.296 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000823087035 606533017 /nfs/dbraw/zinc/53/30/17/606533017.db2.gz DBKPUVZBHLUGQS-KRWDZBQOSA-N -1 3 381.867 3.296 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(OC2CCCC2)cc1 ZINC000823098239 606543290 /nfs/dbraw/zinc/54/32/90/606543290.db2.gz MNEUBNQBZSIFPK-UHFFFAOYSA-N -1 3 377.448 3.047 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(OC2CCCC2)cc1 ZINC000823098239 606543292 /nfs/dbraw/zinc/54/32/92/606543292.db2.gz MNEUBNQBZSIFPK-UHFFFAOYSA-N -1 3 377.448 3.047 20 0 GGADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820820720 606547229 /nfs/dbraw/zinc/54/72/29/606547229.db2.gz POQNWXNOQJNWOF-SECBINFHSA-N -1 3 389.246 3.328 20 0 GGADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820820720 606547231 /nfs/dbraw/zinc/54/72/31/606547231.db2.gz POQNWXNOQJNWOF-SECBINFHSA-N -1 3 389.246 3.328 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823065968 606553327 /nfs/dbraw/zinc/55/33/27/606553327.db2.gz HAVUMWSZIYHXCU-DGCLKSJQSA-N -1 3 399.442 3.444 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823065968 606553328 /nfs/dbraw/zinc/55/33/28/606553328.db2.gz HAVUMWSZIYHXCU-DGCLKSJQSA-N -1 3 399.442 3.444 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc2ccccc2n1 ZINC000823421977 606558327 /nfs/dbraw/zinc/55/83/27/606558327.db2.gz LVTCBGQSMRPFJE-UHFFFAOYSA-N -1 3 397.341 3.373 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc2ccccc2n1 ZINC000823421977 606558328 /nfs/dbraw/zinc/55/83/28/606558328.db2.gz LVTCBGQSMRPFJE-UHFFFAOYSA-N -1 3 397.341 3.373 20 0 GGADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(F)c1 ZINC000819883661 606559887 /nfs/dbraw/zinc/55/98/87/606559887.db2.gz KCKBTFGQUSDJGN-JTQLQIEISA-N -1 3 392.337 3.454 20 0 GGADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(F)c1 ZINC000819883661 606559889 /nfs/dbraw/zinc/55/98/89/606559889.db2.gz KCKBTFGQUSDJGN-JTQLQIEISA-N -1 3 392.337 3.454 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cnc(C2CC2)s1 ZINC000823421662 606560063 /nfs/dbraw/zinc/56/00/63/606560063.db2.gz GCLXRXNMMMSIDN-UHFFFAOYSA-N -1 3 393.375 3.159 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cnc(C2CC2)s1 ZINC000823421662 606560065 /nfs/dbraw/zinc/56/00/65/606560065.db2.gz GCLXRXNMMMSIDN-UHFFFAOYSA-N -1 3 393.375 3.159 20 0 GGADHM C[C@H]1SCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000820822597 606566429 /nfs/dbraw/zinc/56/64/29/606566429.db2.gz ZYEAHLCZICCLFE-KUHUBIRLSA-N -1 3 379.489 3.114 20 0 GGADHM C[C@H]1SCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000820822597 606566431 /nfs/dbraw/zinc/56/64/31/606566431.db2.gz ZYEAHLCZICCLFE-KUHUBIRLSA-N -1 3 379.489 3.114 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000822242835 606568841 /nfs/dbraw/zinc/56/88/41/606568841.db2.gz ZLHOBIAEFZSCMF-VIFPVBQESA-N -1 3 391.840 3.074 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000822242835 606568843 /nfs/dbraw/zinc/56/88/43/606568843.db2.gz ZLHOBIAEFZSCMF-VIFPVBQESA-N -1 3 391.840 3.074 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc2ccccc2c1 ZINC000820508258 606569873 /nfs/dbraw/zinc/56/98/73/606569873.db2.gz NGJBWKMYAITKMD-LLVKDONJSA-N -1 3 393.428 3.265 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccc2ccccc2c1 ZINC000820508258 606569875 /nfs/dbraw/zinc/56/98/75/606569875.db2.gz NGJBWKMYAITKMD-LLVKDONJSA-N -1 3 393.428 3.265 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820045986 606570027 /nfs/dbraw/zinc/57/00/27/606570027.db2.gz PNMGVZHDABYUCE-IAQYHMDHSA-N -1 3 378.864 3.093 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820045986 606570029 /nfs/dbraw/zinc/57/00/29/606570029.db2.gz PNMGVZHDABYUCE-IAQYHMDHSA-N -1 3 378.864 3.093 20 0 GGADHM O=C(OCc1ccc(F)c(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823426226 606571256 /nfs/dbraw/zinc/57/12/56/606571256.db2.gz DSLOQCIPUNHSTB-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OCc1ccc(F)c(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823426226 606571259 /nfs/dbraw/zinc/57/12/59/606571259.db2.gz DSLOQCIPUNHSTB-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823092401 606571553 /nfs/dbraw/zinc/57/15/53/606571553.db2.gz FDUVLSPFYZZRKB-HNNXBMFYSA-N -1 3 395.772 3.482 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823092401 606571554 /nfs/dbraw/zinc/57/15/54/606571554.db2.gz FDUVLSPFYZZRKB-HNNXBMFYSA-N -1 3 395.772 3.482 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C[C@@H]1C ZINC000820741879 606572755 /nfs/dbraw/zinc/57/27/55/606572755.db2.gz GDSQRBVZBWDXIV-STQMWFEESA-N -1 3 379.424 3.174 20 0 GGADHM O=C(NCC(F)F)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823167174 606573486 /nfs/dbraw/zinc/57/34/86/606573486.db2.gz YRBOWLVEOUKPTJ-UHFFFAOYSA-N -1 3 375.404 3.154 20 0 GGADHM O=C(NCC(F)F)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823167174 606573487 /nfs/dbraw/zinc/57/34/87/606573487.db2.gz YRBOWLVEOUKPTJ-UHFFFAOYSA-N -1 3 375.404 3.154 20 0 GGADHM CC[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)Oc1ccccc1C ZINC000820907379 606574230 /nfs/dbraw/zinc/57/42/30/606574230.db2.gz COCVWSCRUQZWBZ-MRXNPFEDSA-N -1 3 380.452 3.463 20 0 GGADHM CC[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)Oc1ccccc1C ZINC000820907379 606574232 /nfs/dbraw/zinc/57/42/32/606574232.db2.gz COCVWSCRUQZWBZ-MRXNPFEDSA-N -1 3 380.452 3.463 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000821763491 606574890 /nfs/dbraw/zinc/57/48/90/606574890.db2.gz ZTOPLPBILWZMAT-UHFFFAOYSA-N -1 3 396.426 3.426 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000821763491 606574892 /nfs/dbraw/zinc/57/48/92/606574892.db2.gz ZTOPLPBILWZMAT-UHFFFAOYSA-N -1 3 396.426 3.426 20 0 GGADHM C[C@H](CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820270003 606586161 /nfs/dbraw/zinc/58/61/61/606586161.db2.gz RYGNMQLPINMXKG-OAHLLOKOSA-N -1 3 384.443 3.462 20 0 GGADHM C[C@H](CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820270003 606586163 /nfs/dbraw/zinc/58/61/63/606586163.db2.gz RYGNMQLPINMXKG-OAHLLOKOSA-N -1 3 384.443 3.462 20 0 GGADHM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823160763 606587339 /nfs/dbraw/zinc/58/73/39/606587339.db2.gz IAOFSMOOUJUNKG-LJQANCHMSA-N -1 3 384.443 3.018 20 0 GGADHM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823160763 606587340 /nfs/dbraw/zinc/58/73/40/606587340.db2.gz IAOFSMOOUJUNKG-LJQANCHMSA-N -1 3 384.443 3.018 20 0 GGADHM COc1cc(C(C)=O)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821707728 606589085 /nfs/dbraw/zinc/58/90/85/606589085.db2.gz CYZKIAJBHGOLOF-UHFFFAOYSA-N -1 3 390.346 3.258 20 0 GGADHM COc1cc(C(C)=O)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821707728 606589087 /nfs/dbraw/zinc/58/90/87/606589087.db2.gz CYZKIAJBHGOLOF-UHFFFAOYSA-N -1 3 390.346 3.258 20 0 GGADHM Fc1ccc(F)c2c1CCN(Cn1ccc(-c3ccc(-c4nnn[n-]4)cc3)n1)C2 ZINC000822774787 606591601 /nfs/dbraw/zinc/59/16/01/606591601.db2.gz OJICCDSWHVONAT-UHFFFAOYSA-N -1 3 393.401 3.024 20 0 GGADHM Fc1ccc(F)c2c1CCN(Cn1ccc(-c3ccc(-c4nn[n-]n4)cc3)n1)C2 ZINC000822774787 606591603 /nfs/dbraw/zinc/59/16/03/606591603.db2.gz OJICCDSWHVONAT-UHFFFAOYSA-N -1 3 393.401 3.024 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C2CC2)s1 ZINC000822731887 606591650 /nfs/dbraw/zinc/59/16/50/606591650.db2.gz DIPDQZUDYDAZNN-UHFFFAOYSA-N -1 3 382.421 3.489 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C2CC2)s1 ZINC000822731887 606591652 /nfs/dbraw/zinc/59/16/52/606591652.db2.gz DIPDQZUDYDAZNN-UHFFFAOYSA-N -1 3 382.421 3.489 20 0 GGADHM O[C@@H](CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccccc1 ZINC000823699102 606592310 /nfs/dbraw/zinc/59/23/10/606592310.db2.gz SFMRTTLHCNGBEE-AWEZNQCLSA-N -1 3 378.404 3.435 20 0 GGADHM O[C@@H](CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccccc1 ZINC000823699102 606592312 /nfs/dbraw/zinc/59/23/12/606592312.db2.gz SFMRTTLHCNGBEE-AWEZNQCLSA-N -1 3 378.404 3.435 20 0 GGADHM COC(=O)Nc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821665930 606594693 /nfs/dbraw/zinc/59/46/93/606594693.db2.gz LFPDEUOUNUKHEL-UHFFFAOYSA-N -1 3 391.334 3.225 20 0 GGADHM COC(=O)Nc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000821665930 606594694 /nfs/dbraw/zinc/59/46/94/606594694.db2.gz LFPDEUOUNUKHEL-UHFFFAOYSA-N -1 3 391.334 3.225 20 0 GGADHM Fc1cc2ncn(Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)c2cc1F ZINC000822753118 606595603 /nfs/dbraw/zinc/59/56/03/606595603.db2.gz FHTPTYMUFMGSPX-UHFFFAOYSA-N -1 3 378.289 3.144 20 0 GGADHM Fc1cc2ncn(Cc3ccc(-c4nn[n-]n4)cc3OC(F)F)c2cc1F ZINC000822753118 606595604 /nfs/dbraw/zinc/59/56/04/606595604.db2.gz FHTPTYMUFMGSPX-UHFFFAOYSA-N -1 3 378.289 3.144 20 0 GGADHM COC(=O)c1ccc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821669642 606596474 /nfs/dbraw/zinc/59/64/74/606596474.db2.gz VVYQNJBZRATNNM-UHFFFAOYSA-N -1 3 393.325 3.006 20 0 GGADHM COC(=O)c1ccc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000821669642 606596475 /nfs/dbraw/zinc/59/64/75/606596475.db2.gz VVYQNJBZRATNNM-UHFFFAOYSA-N -1 3 393.325 3.006 20 0 GGADHM CCC(CC)N(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820892537 606599483 /nfs/dbraw/zinc/59/94/83/606599483.db2.gz BEPJWGCVIHGAPE-UHFFFAOYSA-N -1 3 388.541 3.463 20 0 GGADHM CCC(CC)N(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820892537 606599485 /nfs/dbraw/zinc/59/94/85/606599485.db2.gz BEPJWGCVIHGAPE-UHFFFAOYSA-N -1 3 388.541 3.463 20 0 GGADHM NC(=O)c1cccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822890156 606599583 /nfs/dbraw/zinc/59/95/83/606599583.db2.gz NEESNBPNVKABFG-UHFFFAOYSA-N -1 3 391.403 3.000 20 0 GGADHM NC(=O)c1cccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822890156 606599585 /nfs/dbraw/zinc/59/95/85/606599585.db2.gz NEESNBPNVKABFG-UHFFFAOYSA-N -1 3 391.403 3.000 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2cccc(C)c2)no1 ZINC000821309297 606600098 /nfs/dbraw/zinc/60/00/98/606600098.db2.gz MAGLNRIMSHWGOY-UHFFFAOYSA-N -1 3 376.424 3.269 20 0 GGADHM Cc1ccccc1CCCSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822355948 606601072 /nfs/dbraw/zinc/60/10/72/606601072.db2.gz CSJBFVZKTCTCNP-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM Cc1ccccc1CCCSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822355948 606601073 /nfs/dbraw/zinc/60/10/73/606601073.db2.gz CSJBFVZKTCTCNP-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM C[C@H](NC(=O)N(C[C@@H]1CCCO1)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339995 606601642 /nfs/dbraw/zinc/60/16/42/606601642.db2.gz IGHSBBKGILPASY-KSSFIOAISA-N -1 3 384.484 3.061 20 0 GGADHM C[C@H](NC(=O)N(C[C@@H]1CCCO1)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339995 606601643 /nfs/dbraw/zinc/60/16/43/606601643.db2.gz IGHSBBKGILPASY-KSSFIOAISA-N -1 3 384.484 3.061 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823036719 606605552 /nfs/dbraw/zinc/60/55/52/606605552.db2.gz JIAKAKBEFQKKCB-UHFFFAOYSA-N -1 3 391.353 3.379 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000822978252 606605825 /nfs/dbraw/zinc/60/58/25/606605825.db2.gz HPBWQJLRJMSMGA-INIZCTEOSA-N -1 3 381.402 3.427 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000822978252 606605827 /nfs/dbraw/zinc/60/58/27/606605827.db2.gz HPBWQJLRJMSMGA-INIZCTEOSA-N -1 3 381.402 3.427 20 0 GGADHM Cc1cc(CCCC(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000822199914 606615391 /nfs/dbraw/zinc/61/53/91/606615391.db2.gz MWVJUVMGKDUMFK-UHFFFAOYSA-N -1 3 399.476 3.050 20 0 GGADHM Cc1cc(CCCC(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822199914 606615393 /nfs/dbraw/zinc/61/53/93/606615393.db2.gz MWVJUVMGKDUMFK-UHFFFAOYSA-N -1 3 399.476 3.050 20 0 GGADHM CCCCCC(C)(C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821042810 606615588 /nfs/dbraw/zinc/61/55/88/606615588.db2.gz ITQZTBMVTSQSCY-UHFFFAOYSA-N -1 3 377.445 3.165 20 0 GGADHM O=C(COC(=O)c1cc2cccc(Cl)c2o1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823027412 606616600 /nfs/dbraw/zinc/61/66/00/606616600.db2.gz UFUARDQYOKEIAH-UHFFFAOYSA-N -1 3 397.778 3.062 20 0 GGADHM O=C(COC(=O)c1cc2cccc(Cl)c2o1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823027412 606616602 /nfs/dbraw/zinc/61/66/02/606616602.db2.gz UFUARDQYOKEIAH-UHFFFAOYSA-N -1 3 397.778 3.062 20 0 GGADHM O=C(COC(=O)c1cc2cccc(Cl)c2o1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823026958 606616677 /nfs/dbraw/zinc/61/66/77/606616677.db2.gz KEENQSGJUHQSAE-UHFFFAOYSA-N -1 3 397.778 3.062 20 0 GGADHM O=C(COC(=O)c1cc2cccc(Cl)c2o1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823026958 606616678 /nfs/dbraw/zinc/61/66/78/606616678.db2.gz KEENQSGJUHQSAE-UHFFFAOYSA-N -1 3 397.778 3.062 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)/C=C2\CC[C@H](C)C2)c1C ZINC000822482338 606621218 /nfs/dbraw/zinc/62/12/18/606621218.db2.gz PYNUMCJKXOPZFX-YGRGUWMTSA-N -1 3 377.452 3.354 20 0 GGADHM COCCN(C(=O)C/C=C\c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688169 606622528 /nfs/dbraw/zinc/62/25/28/606622528.db2.gz AYEXPFIZNOGQJV-ARJAWSKDSA-N -1 3 377.448 3.258 20 0 GGADHM COCCN(C(=O)C/C=C\c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688169 606622530 /nfs/dbraw/zinc/62/25/30/606622530.db2.gz AYEXPFIZNOGQJV-ARJAWSKDSA-N -1 3 377.448 3.258 20 0 GGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000820403431 606625241 /nfs/dbraw/zinc/62/52/41/606625241.db2.gz KDLFNEPRVOQGDA-MRVPVSSYSA-N -1 3 383.355 3.318 20 0 GGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000820403431 606625243 /nfs/dbraw/zinc/62/52/43/606625243.db2.gz KDLFNEPRVOQGDA-MRVPVSSYSA-N -1 3 383.355 3.318 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820335541 606625665 /nfs/dbraw/zinc/62/56/65/606625665.db2.gz ZORPLJHWLDIKNN-NSHDSACASA-N -1 3 391.353 3.185 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820335541 606625666 /nfs/dbraw/zinc/62/56/66/606625666.db2.gz ZORPLJHWLDIKNN-NSHDSACASA-N -1 3 391.353 3.185 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000821406450 606627779 /nfs/dbraw/zinc/62/77/79/606627779.db2.gz FFQQGVLFHAADPO-CYBMUJFWSA-N -1 3 381.436 3.406 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000821406450 606627781 /nfs/dbraw/zinc/62/77/81/606627781.db2.gz FFQQGVLFHAADPO-CYBMUJFWSA-N -1 3 381.436 3.406 20 0 GGADHM CCC1(COC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)COC1 ZINC000820966644 606629150 /nfs/dbraw/zinc/62/91/50/606629150.db2.gz FUVFFIASOKWKDE-UHFFFAOYSA-N -1 3 394.431 3.029 20 0 GGADHM Cc1nc(CCCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000822436054 606630227 /nfs/dbraw/zinc/63/02/27/606630227.db2.gz GOUHYKUDNBCIQP-UHFFFAOYSA-N -1 3 384.509 3.392 20 0 GGADHM Cc1nc(CCCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000822436054 606630229 /nfs/dbraw/zinc/63/02/29/606630229.db2.gz GOUHYKUDNBCIQP-UHFFFAOYSA-N -1 3 384.509 3.392 20 0 GGADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)n2)ccc1F ZINC000822128513 606632952 /nfs/dbraw/zinc/63/29/52/606632952.db2.gz CXPVFUGNKAGNPY-UHFFFAOYSA-N -1 3 381.396 3.085 20 0 GGADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)n2)ccc1F ZINC000822128513 606632953 /nfs/dbraw/zinc/63/29/53/606632953.db2.gz CXPVFUGNKAGNPY-UHFFFAOYSA-N -1 3 381.396 3.085 20 0 GGADHM FC(F)n1ccnc1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000822737207 606639056 /nfs/dbraw/zinc/63/90/56/606639056.db2.gz QHAGGQYJUQGVPP-UHFFFAOYSA-N -1 3 384.350 3.258 20 0 GGADHM C[C@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820372543 606641533 /nfs/dbraw/zinc/64/15/33/606641533.db2.gz APGUVZHAPGXBAN-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820372543 606641534 /nfs/dbraw/zinc/64/15/34/606641534.db2.gz APGUVZHAPGXBAN-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000823498420 606641641 /nfs/dbraw/zinc/64/16/41/606641641.db2.gz PAVCSWLRSNUQFX-UHFFFAOYSA-N -1 3 393.394 3.262 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000823498420 606641642 /nfs/dbraw/zinc/64/16/42/606641642.db2.gz PAVCSWLRSNUQFX-UHFFFAOYSA-N -1 3 393.394 3.262 20 0 GGADHM COCc1nc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cs1 ZINC000821695708 606656428 /nfs/dbraw/zinc/65/64/28/606656428.db2.gz DKMFTRXZVATZKL-UHFFFAOYSA-N -1 3 395.448 3.269 20 0 GGADHM O=C(Nc1ccc(N2CCCCC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823350669 606661535 /nfs/dbraw/zinc/66/15/35/606661535.db2.gz WJSADENFZLKQOB-UHFFFAOYSA-N -1 3 384.390 3.388 20 0 GGADHM O=C(Nc1ccc(N2CCCCC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823350669 606661536 /nfs/dbraw/zinc/66/15/36/606661536.db2.gz WJSADENFZLKQOB-UHFFFAOYSA-N -1 3 384.390 3.388 20 0 GGADHM O=C(NCc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823249965 606663868 /nfs/dbraw/zinc/66/38/68/606663868.db2.gz NGHJPWFTSJIQPP-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM O=C(NCc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823249965 606663869 /nfs/dbraw/zinc/66/38/69/606663869.db2.gz NGHJPWFTSJIQPP-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1ccccn1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823140371 606666463 /nfs/dbraw/zinc/66/64/63/606666463.db2.gz UILXLCJMZYHUDT-GOSISDBHSA-N -1 3 392.369 3.059 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823140371 606666464 /nfs/dbraw/zinc/66/64/64/606666464.db2.gz UILXLCJMZYHUDT-GOSISDBHSA-N -1 3 392.369 3.059 20 0 GGADHM O=C(O[C@@H](c1ccccc1)c1ccccn1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823392163 606668838 /nfs/dbraw/zinc/66/88/38/606668838.db2.gz MBKZBAHXYURMEP-SFHVURJKSA-N -1 3 393.353 3.486 20 0 GGADHM O=C(O[C@@H](c1ccccc1)c1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823392163 606668839 /nfs/dbraw/zinc/66/88/39/606668839.db2.gz MBKZBAHXYURMEP-SFHVURJKSA-N -1 3 393.353 3.486 20 0 GGADHM CC(C)N(Cc1cccc(F)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820120669 606670007 /nfs/dbraw/zinc/67/00/07/606670007.db2.gz INCVSEOQVNGKNH-UHFFFAOYSA-N -1 3 375.354 3.335 20 0 GGADHM CC(C)N(Cc1cccc(F)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820120669 606670008 /nfs/dbraw/zinc/67/00/08/606670008.db2.gz INCVSEOQVNGKNH-UHFFFAOYSA-N -1 3 375.354 3.335 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)c(F)c1 ZINC000820087081 606670732 /nfs/dbraw/zinc/67/07/32/606670732.db2.gz KRJPSSNEXVWRPK-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)c(F)c1 ZINC000820087081 606670733 /nfs/dbraw/zinc/67/07/33/606670733.db2.gz KRJPSSNEXVWRPK-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM O=C(C[C@H]1CCCCO1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822941343 606671195 /nfs/dbraw/zinc/67/11/95/606671195.db2.gz VFYNOPXPKFTIQY-QGZVFWFLSA-N -1 3 377.448 3.359 20 0 GGADHM O=C(C[C@H]1CCCCO1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822941343 606671196 /nfs/dbraw/zinc/67/11/96/606671196.db2.gz VFYNOPXPKFTIQY-QGZVFWFLSA-N -1 3 377.448 3.359 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823162443 606672941 /nfs/dbraw/zinc/67/29/41/606672941.db2.gz WIJRKGWBIADHHS-AWEZNQCLSA-N -1 3 375.766 3.216 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823162443 606672942 /nfs/dbraw/zinc/67/29/42/606672942.db2.gz WIJRKGWBIADHHS-AWEZNQCLSA-N -1 3 375.766 3.216 20 0 GGADHM O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822940745 606673930 /nfs/dbraw/zinc/67/39/30/606673930.db2.gz CNVOLUULXGVYSS-LBPRGKRZSA-N -1 3 375.498 3.485 20 0 GGADHM O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822940745 606673931 /nfs/dbraw/zinc/67/39/31/606673931.db2.gz CNVOLUULXGVYSS-LBPRGKRZSA-N -1 3 375.498 3.485 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000821755247 606675527 /nfs/dbraw/zinc/67/55/27/606675527.db2.gz CETSCIFJMXGCNM-NSHDSACASA-N -1 3 387.440 3.381 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000821755247 606675528 /nfs/dbraw/zinc/67/55/28/606675528.db2.gz CETSCIFJMXGCNM-NSHDSACASA-N -1 3 387.440 3.381 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000821681932 606676170 /nfs/dbraw/zinc/67/61/70/606676170.db2.gz VUIWWUABBUATAV-CYBMUJFWSA-N -1 3 397.435 3.279 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000821681932 606676171 /nfs/dbraw/zinc/67/61/71/606676171.db2.gz VUIWWUABBUATAV-CYBMUJFWSA-N -1 3 397.435 3.279 20 0 GGADHM CC(C)C[C@H](C)OCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820055990 606676544 /nfs/dbraw/zinc/67/65/44/606676544.db2.gz MHAIVIHDKBXFFX-NSHDSACASA-N -1 3 383.399 3.248 20 0 GGADHM CC(C)C[C@H](C)OCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820055990 606676545 /nfs/dbraw/zinc/67/65/45/606676545.db2.gz MHAIVIHDKBXFFX-NSHDSACASA-N -1 3 383.399 3.248 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@]1(C)CCCO1 ZINC000822211677 606677039 /nfs/dbraw/zinc/67/70/39/606677039.db2.gz KSPAXOROVTWMSO-NRFANRHFSA-N -1 3 393.447 3.262 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@]1(C)CCCO1 ZINC000822211677 606677040 /nfs/dbraw/zinc/67/70/40/606677040.db2.gz KSPAXOROVTWMSO-NRFANRHFSA-N -1 3 393.447 3.262 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822350970 606680961 /nfs/dbraw/zinc/68/09/61/606680961.db2.gz IJYPBEZQGLRJCQ-TZMCWYRMSA-N -1 3 383.402 3.472 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822350970 606680962 /nfs/dbraw/zinc/68/09/62/606680962.db2.gz IJYPBEZQGLRJCQ-TZMCWYRMSA-N -1 3 383.402 3.472 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000821504475 606681924 /nfs/dbraw/zinc/68/19/24/606681924.db2.gz GADRGMVBHFMVAG-SECBINFHSA-N -1 3 392.435 3.305 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000821504475 606681925 /nfs/dbraw/zinc/68/19/25/606681925.db2.gz GADRGMVBHFMVAG-SECBINFHSA-N -1 3 392.435 3.305 20 0 GGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821564263 606682015 /nfs/dbraw/zinc/68/20/15/606682015.db2.gz ZTAMMFSASPSTJZ-JTQLQIEISA-N -1 3 397.389 3.006 20 0 GGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821564263 606682016 /nfs/dbraw/zinc/68/20/16/606682016.db2.gz ZTAMMFSASPSTJZ-JTQLQIEISA-N -1 3 397.389 3.006 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823144600 606682145 /nfs/dbraw/zinc/68/21/45/606682145.db2.gz JUMCRAPPHPGQNL-ISVAXAHUSA-N -1 3 393.756 3.223 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823144600 606682146 /nfs/dbraw/zinc/68/21/46/606682146.db2.gz JUMCRAPPHPGQNL-ISVAXAHUSA-N -1 3 393.756 3.223 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H](C)CO1 ZINC000822350621 606682723 /nfs/dbraw/zinc/68/27/23/606682723.db2.gz FDLXHATVHPKPCZ-SJKOYZFVSA-N -1 3 399.401 3.056 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H](C)CO1 ZINC000822350621 606682724 /nfs/dbraw/zinc/68/27/24/606682724.db2.gz FDLXHATVHPKPCZ-SJKOYZFVSA-N -1 3 399.401 3.056 20 0 GGADHM O=C(NCc1ccc(-c2cccnc2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823246084 606683593 /nfs/dbraw/zinc/68/35/93/606683593.db2.gz BEMFOFSJWWOGLX-UHFFFAOYSA-N -1 3 392.369 3.137 20 0 GGADHM O=C(NCc1ccc(-c2cccnc2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823246084 606683594 /nfs/dbraw/zinc/68/35/94/606683594.db2.gz BEMFOFSJWWOGLX-UHFFFAOYSA-N -1 3 392.369 3.137 20 0 GGADHM CC(C)n1c(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)nc2ccccc21 ZINC000820211258 606685500 /nfs/dbraw/zinc/68/55/00/606685500.db2.gz FRBMBCFEDVUCAS-UHFFFAOYSA-N -1 3 397.389 3.006 20 0 GGADHM CC(C)n1c(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nc2ccccc21 ZINC000820211258 606685501 /nfs/dbraw/zinc/68/55/01/606685501.db2.gz FRBMBCFEDVUCAS-UHFFFAOYSA-N -1 3 397.389 3.006 20 0 GGADHM CC[C@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)Oc1ccccc1C ZINC000820908488 606685617 /nfs/dbraw/zinc/68/56/17/606685617.db2.gz MLLXADKXRWFUDZ-CYBMUJFWSA-N -1 3 387.390 3.041 20 0 GGADHM CC[C@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Oc1ccccc1C ZINC000820908488 606685618 /nfs/dbraw/zinc/68/56/18/606685618.db2.gz MLLXADKXRWFUDZ-CYBMUJFWSA-N -1 3 387.390 3.041 20 0 GGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CC(F)(F)F)C1CCCC1 ZINC000823454704 606686339 /nfs/dbraw/zinc/68/63/39/606686339.db2.gz RMGKHTHPHMDCTK-UHFFFAOYSA-N -1 3 375.301 3.092 20 0 GGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CC(F)(F)F)C1CCCC1 ZINC000823454704 606686340 /nfs/dbraw/zinc/68/63/40/606686340.db2.gz RMGKHTHPHMDCTK-UHFFFAOYSA-N -1 3 375.301 3.092 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C12CCCCC2 ZINC000821362173 606686728 /nfs/dbraw/zinc/68/67/28/606686728.db2.gz YSUHQQSXBBTKOR-HUUCEWRRSA-N -1 3 391.422 3.003 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C12CCCCC2 ZINC000821362173 606686729 /nfs/dbraw/zinc/68/67/29/606686729.db2.gz YSUHQQSXBBTKOR-HUUCEWRRSA-N -1 3 391.422 3.003 20 0 GGADHM C[C@]1(CNC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000820618844 606688120 /nfs/dbraw/zinc/68/81/20/606688120.db2.gz QFKLXRTWZOOOQF-HXUWFJFHSA-N -1 3 395.488 3.317 20 0 GGADHM C[C@]1(CNC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000820618844 606688121 /nfs/dbraw/zinc/68/81/21/606688121.db2.gz QFKLXRTWZOOOQF-HXUWFJFHSA-N -1 3 395.488 3.317 20 0 GGADHM Cc1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(OCC2CC2)c1 ZINC000822237371 606688372 /nfs/dbraw/zinc/68/83/72/606688372.db2.gz QQSYFJDXCLFYCW-UHFFFAOYSA-N -1 3 399.401 3.172 20 0 GGADHM Cc1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(OCC2CC2)c1 ZINC000822237371 606688373 /nfs/dbraw/zinc/68/83/73/606688373.db2.gz QQSYFJDXCLFYCW-UHFFFAOYSA-N -1 3 399.401 3.172 20 0 GGADHM CSCc1cc(F)ccc1CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821971235 606688387 /nfs/dbraw/zinc/68/83/87/606688387.db2.gz ZJYOACRWHRJRQN-UHFFFAOYSA-N -1 3 393.394 3.077 20 0 GGADHM CSCc1cc(F)ccc1CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821971235 606688388 /nfs/dbraw/zinc/68/83/88/606688388.db2.gz ZJYOACRWHRJRQN-UHFFFAOYSA-N -1 3 393.394 3.077 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OCC(F)(F)F)c1 ZINC000822238673 606688921 /nfs/dbraw/zinc/68/89/21/606688921.db2.gz QCWPPDIDZWGQDD-UHFFFAOYSA-N -1 3 391.353 3.046 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OCC(F)(F)F)c1 ZINC000822238673 606688922 /nfs/dbraw/zinc/68/89/22/606688922.db2.gz QCWPPDIDZWGQDD-UHFFFAOYSA-N -1 3 391.353 3.046 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc2ccncc21 ZINC000820032082 606692276 /nfs/dbraw/zinc/69/22/76/606692276.db2.gz KVKJHROLPYZMDB-LJQANCHMSA-N -1 3 388.431 3.457 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc2ccncc21 ZINC000820032082 606692277 /nfs/dbraw/zinc/69/22/77/606692277.db2.gz KVKJHROLPYZMDB-LJQANCHMSA-N -1 3 388.431 3.457 20 0 GGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820734103 606692327 /nfs/dbraw/zinc/69/23/27/606692327.db2.gz LCXFHDITSRKXMW-LBPRGKRZSA-N -1 3 383.502 3.486 20 0 GGADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820734103 606692328 /nfs/dbraw/zinc/69/23/28/606692328.db2.gz LCXFHDITSRKXMW-LBPRGKRZSA-N -1 3 383.502 3.486 20 0 GGADHM COc1ccc(F)c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821827627 606694952 /nfs/dbraw/zinc/69/49/52/606694952.db2.gz GSUFTTFVGMOXBY-UHFFFAOYSA-N -1 3 378.820 3.477 20 0 GGADHM COc1ccc(F)c(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821827627 606694953 /nfs/dbraw/zinc/69/49/53/606694953.db2.gz GSUFTTFVGMOXBY-UHFFFAOYSA-N -1 3 378.820 3.477 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@@H](C)CCCO ZINC000822211791 606696753 /nfs/dbraw/zinc/69/67/53/606696753.db2.gz OQMROHHISBIDNM-AWEZNQCLSA-N -1 3 396.451 3.250 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@@H](C)CCCO ZINC000822211791 606696754 /nfs/dbraw/zinc/69/67/54/606696754.db2.gz OQMROHHISBIDNM-AWEZNQCLSA-N -1 3 396.451 3.250 20 0 GGADHM CC[C@H](CCO)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820903719 606697158 /nfs/dbraw/zinc/69/71/58/606697158.db2.gz WVIPTSRVTFXJPB-CQSZACIVSA-N -1 3 396.451 3.189 20 0 GGADHM CC[C@H](CCO)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820903719 606697159 /nfs/dbraw/zinc/69/71/59/606697159.db2.gz WVIPTSRVTFXJPB-CQSZACIVSA-N -1 3 396.451 3.189 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(F)c1 ZINC000820173625 606702698 /nfs/dbraw/zinc/70/26/98/606702698.db2.gz JXZFNZPQOUGMLG-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000820173625 606702699 /nfs/dbraw/zinc/70/26/99/606702699.db2.gz JXZFNZPQOUGMLG-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM O=S(=O)(Nc1cc(-c2nn[n-]n2)ccc1Cl)c1cccc2c1CCCC2 ZINC000823582808 606711850 /nfs/dbraw/zinc/71/18/50/606711850.db2.gz BBDBGHDVWUWWBD-UHFFFAOYSA-N -1 3 389.868 3.200 20 0 GGADHM Cc1cc(C)n(-c2ccccc2CNc2c(-c3nnn[n-]3)cnc3ccccc32)n1 ZINC000822197855 606723374 /nfs/dbraw/zinc/72/33/74/606723374.db2.gz RSRNPTFANRGWFS-UHFFFAOYSA-N -1 3 396.458 3.251 20 0 GGADHM Cc1cc(C)n(-c2ccccc2CNc2c(-c3nn[n-]n3)cnc3ccccc32)n1 ZINC000822197855 606723375 /nfs/dbraw/zinc/72/33/75/606723375.db2.gz RSRNPTFANRGWFS-UHFFFAOYSA-N -1 3 396.458 3.251 20 0 GGADHM CN(C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C1CCCCCCC1 ZINC000821568458 606737665 /nfs/dbraw/zinc/73/76/65/606737665.db2.gz VJNJOWGFVCMFHY-UHFFFAOYSA-N -1 3 390.875 3.030 20 0 GGADHM CN(C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C1CCCCCCC1 ZINC000821568458 606737667 /nfs/dbraw/zinc/73/76/67/606737667.db2.gz VJNJOWGFVCMFHY-UHFFFAOYSA-N -1 3 390.875 3.030 20 0 GGADHM CCCCCC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821043660 606744787 /nfs/dbraw/zinc/74/47/87/606744787.db2.gz RQZPLSSHFUAYRI-UHFFFAOYSA-N -1 3 392.891 3.181 20 0 GGADHM CCCCCC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821043660 606744789 /nfs/dbraw/zinc/74/47/89/606744789.db2.gz RQZPLSSHFUAYRI-UHFFFAOYSA-N -1 3 392.891 3.181 20 0 GGADHM CC1(C)C[C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc2O1 ZINC000820590059 606745367 /nfs/dbraw/zinc/74/53/67/606745367.db2.gz QBKSYHKMDPHMMS-MRXNPFEDSA-N -1 3 396.426 3.107 20 0 GGADHM CC1(C)C[C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc2O1 ZINC000820590059 606745368 /nfs/dbraw/zinc/74/53/68/606745368.db2.gz QBKSYHKMDPHMMS-MRXNPFEDSA-N -1 3 396.426 3.107 20 0 GGADHM CCC1(CNC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCC1 ZINC000820962406 606747173 /nfs/dbraw/zinc/74/71/73/606747173.db2.gz QBRGBWKKUOMOCZ-UHFFFAOYSA-N -1 3 398.511 3.390 20 0 GGADHM CCC1(CNC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCC1 ZINC000820962406 606747175 /nfs/dbraw/zinc/74/71/75/606747175.db2.gz QBRGBWKKUOMOCZ-UHFFFAOYSA-N -1 3 398.511 3.390 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cnc(Cc2ccccc2)s1 ZINC000823430151 606749807 /nfs/dbraw/zinc/74/98/07/606749807.db2.gz FILHEYTXWLIQCM-UHFFFAOYSA-N -1 3 377.429 3.271 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cnc(Cc2ccccc2)s1 ZINC000823430151 606749809 /nfs/dbraw/zinc/74/98/09/606749809.db2.gz FILHEYTXWLIQCM-UHFFFAOYSA-N -1 3 377.429 3.271 20 0 GGADHM CC[C@H](C)C(=O)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820859027 606751886 /nfs/dbraw/zinc/75/18/86/606751886.db2.gz AOSMXCFXMMKTET-AWEZNQCLSA-N -1 3 394.431 3.218 20 0 GGADHM CC[C@H](C)C(=O)COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820859027 606751888 /nfs/dbraw/zinc/75/18/88/606751888.db2.gz AOSMXCFXMMKTET-AWEZNQCLSA-N -1 3 394.431 3.218 20 0 GGADHM O=C(Cc1cccc(F)c1F)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823111189 606754397 /nfs/dbraw/zinc/75/43/97/606754397.db2.gz FMMZTRAVIIHHQU-UHFFFAOYSA-N -1 3 396.300 3.032 20 0 GGADHM O=C(Cc1cccc(F)c1F)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823111189 606754399 /nfs/dbraw/zinc/75/43/99/606754399.db2.gz FMMZTRAVIIHHQU-UHFFFAOYSA-N -1 3 396.300 3.032 20 0 GGADHM Cc1ccc(-c2nc(COC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000822214014 606759422 /nfs/dbraw/zinc/75/94/22/606759422.db2.gz LQOZOASZMHTNLL-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1ccc(-c2nc(COC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000822214014 606759423 /nfs/dbraw/zinc/75/94/23/606759423.db2.gz LQOZOASZMHTNLL-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Fc1ccc2oc(CN3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000822786280 606768377 /nfs/dbraw/zinc/76/83/77/606768377.db2.gz HLVZYAVXZOMONJ-UHFFFAOYSA-N -1 3 394.410 3.190 20 0 GGADHM C[C@@](O)(c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000820467827 606773160 /nfs/dbraw/zinc/77/31/60/606773160.db2.gz NABPXWLNQYHALG-QGZVFWFLSA-N -1 3 394.353 3.094 20 0 GGADHM C[C@H](NC(=O)NC1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820359406 606774902 /nfs/dbraw/zinc/77/49/02/606774902.db2.gz STYWQOGZNSDXOJ-HNNXBMFYSA-N -1 3 376.464 3.392 20 0 GGADHM C[C@H](NC(=O)NC1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820359406 606774905 /nfs/dbraw/zinc/77/49/05/606774905.db2.gz STYWQOGZNSDXOJ-HNNXBMFYSA-N -1 3 376.464 3.392 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCSCC2)cc1 ZINC000822137896 606785825 /nfs/dbraw/zinc/78/58/25/606785825.db2.gz XQCXVDXCENOYPV-UHFFFAOYSA-N -1 3 381.461 3.156 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCSCC2)cc1 ZINC000822137896 606785826 /nfs/dbraw/zinc/78/58/26/606785826.db2.gz XQCXVDXCENOYPV-UHFFFAOYSA-N -1 3 381.461 3.156 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000822136089 606786157 /nfs/dbraw/zinc/78/61/57/606786157.db2.gz JAAAUQATGYOGPP-IFXJQAMLSA-N -1 3 393.447 3.265 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000822136089 606786158 /nfs/dbraw/zinc/78/61/58/606786158.db2.gz JAAAUQATGYOGPP-IFXJQAMLSA-N -1 3 393.447 3.265 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(C)cc1Cl ZINC000821689537 606787728 /nfs/dbraw/zinc/78/77/28/606787728.db2.gz BXFVMCVKZTYOPB-UHFFFAOYSA-N -1 3 399.882 3.046 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(C)cc1Cl ZINC000821689537 606787730 /nfs/dbraw/zinc/78/77/30/606787730.db2.gz BXFVMCVKZTYOPB-UHFFFAOYSA-N -1 3 399.882 3.046 20 0 GGADHM Cc1nnc(NCCCOc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1C ZINC000822514661 606788449 /nfs/dbraw/zinc/78/84/49/606788449.db2.gz GGRCZCXKTQFESD-UHFFFAOYSA-N -1 3 375.436 3.308 20 0 GGADHM Cc1nnc(NCCCOc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1C ZINC000822514661 606788451 /nfs/dbraw/zinc/78/84/51/606788451.db2.gz GGRCZCXKTQFESD-UHFFFAOYSA-N -1 3 375.436 3.308 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820875758 606789511 /nfs/dbraw/zinc/78/95/11/606789511.db2.gz FCGKJARSMCALBM-OAHLLOKOSA-N -1 3 394.479 3.352 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820875758 606789513 /nfs/dbraw/zinc/78/95/13/606789513.db2.gz FCGKJARSMCALBM-OAHLLOKOSA-N -1 3 394.479 3.352 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821979834 606789815 /nfs/dbraw/zinc/78/98/15/606789815.db2.gz ZDCHONZSECEMLU-CYBMUJFWSA-N -1 3 382.493 3.457 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821979834 606789817 /nfs/dbraw/zinc/78/98/17/606789817.db2.gz ZDCHONZSECEMLU-CYBMUJFWSA-N -1 3 382.493 3.457 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)Nc2cnc(C)nc2)cc1 ZINC000822471711 606791725 /nfs/dbraw/zinc/79/17/25/606791725.db2.gz IIVJVNTZBCRQTG-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2cnc(C)nc2)cc1 ZINC000822471711 606791728 /nfs/dbraw/zinc/79/17/28/606791728.db2.gz IIVJVNTZBCRQTG-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000822917198 606792424 /nfs/dbraw/zinc/79/24/24/606792424.db2.gz PPSXABUJRDVOID-CYBMUJFWSA-N -1 3 394.401 3.089 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000822917198 606792426 /nfs/dbraw/zinc/79/24/26/606792426.db2.gz PPSXABUJRDVOID-CYBMUJFWSA-N -1 3 394.401 3.089 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@H](C)C[C@H](C)O)cc1 ZINC000822143978 606792665 /nfs/dbraw/zinc/79/26/65/606792665.db2.gz IXQITPZPDMMHAO-HIFRSBDPSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@H](C)C[C@H](C)O)cc1 ZINC000822143978 606792667 /nfs/dbraw/zinc/79/26/67/606792667.db2.gz IXQITPZPDMMHAO-HIFRSBDPSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000822230966 606793352 /nfs/dbraw/zinc/79/33/52/606793352.db2.gz WLCMGPVIJCKPNM-KRWDZBQOSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000822230966 606793353 /nfs/dbraw/zinc/79/33/53/606793353.db2.gz WLCMGPVIJCKPNM-KRWDZBQOSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230669 606793430 /nfs/dbraw/zinc/79/34/30/606793430.db2.gz NDLXXSJSDVUWOZ-GOSISDBHSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230669 606793432 /nfs/dbraw/zinc/79/34/32/606793432.db2.gz NDLXXSJSDVUWOZ-GOSISDBHSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230651 606793870 /nfs/dbraw/zinc/79/38/70/606793870.db2.gz MPOAEKDUUMETBJ-LJQANCHMSA-N -1 3 397.504 3.150 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230651 606793871 /nfs/dbraw/zinc/79/38/71/606793871.db2.gz MPOAEKDUUMETBJ-LJQANCHMSA-N -1 3 397.504 3.150 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1-c1nnn[n-]1)c1cc(F)ccc1Cl ZINC000823589084 606794170 /nfs/dbraw/zinc/79/41/70/606794170.db2.gz MFUSJBFTTJOINA-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1-c1nn[n-]n1)c1cc(F)ccc1Cl ZINC000823589084 606794172 /nfs/dbraw/zinc/79/41/72/606794172.db2.gz MFUSJBFTTJOINA-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM CC(C)(C)N(CC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000819914625 606794519 /nfs/dbraw/zinc/79/45/19/606794519.db2.gz ZUGMQMBWRYKLGA-UHFFFAOYSA-N -1 3 388.472 3.307 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821978933 606794606 /nfs/dbraw/zinc/79/46/06/606794606.db2.gz NVFPYXBSOZNXRX-CYBMUJFWSA-N -1 3 382.493 3.457 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821978933 606794608 /nfs/dbraw/zinc/79/46/08/606794608.db2.gz NVFPYXBSOZNXRX-CYBMUJFWSA-N -1 3 382.493 3.457 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1COc2ccc(Cl)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359066 606799738 /nfs/dbraw/zinc/79/97/38/606799738.db2.gz RIMBACIRJDJFDE-ZUZCIYMTSA-N -1 3 384.827 3.014 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1COc2ccc(Cl)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359066 606799739 /nfs/dbraw/zinc/79/97/39/606799739.db2.gz RIMBACIRJDJFDE-ZUZCIYMTSA-N -1 3 384.827 3.014 20 0 GGADHM CC[C@](C)(CCO)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820853430 606805781 /nfs/dbraw/zinc/80/57/81/606805781.db2.gz MBYGGFAPFVMUSP-HXUWFJFHSA-N -1 3 396.451 3.332 20 0 GGADHM CC[C@](C)(CCO)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820853430 606805783 /nfs/dbraw/zinc/80/57/83/606805783.db2.gz MBYGGFAPFVMUSP-HXUWFJFHSA-N -1 3 396.451 3.332 20 0 GGADHM CC[C@](C)(CCO)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820854914 606805978 /nfs/dbraw/zinc/80/59/78/606805978.db2.gz ZYQZPCJCWDCXCP-HXUWFJFHSA-N -1 3 396.451 3.332 20 0 GGADHM CC[C@](C)(CCO)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820854914 606805980 /nfs/dbraw/zinc/80/59/80/606805980.db2.gz ZYQZPCJCWDCXCP-HXUWFJFHSA-N -1 3 396.451 3.332 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230876 606807683 /nfs/dbraw/zinc/80/76/83/606807683.db2.gz SNQVSRKZJPZGSI-LJQANCHMSA-N -1 3 377.448 3.226 20 0 GGADHM O=C(NCCCOc1ccc2ccccc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823191344 606808241 /nfs/dbraw/zinc/80/82/41/606808241.db2.gz JTPWITNJWGOAJF-UHFFFAOYSA-N -1 3 379.445 3.280 20 0 GGADHM O=C(NCCCOc1ccc2ccccc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823191344 606808242 /nfs/dbraw/zinc/80/82/42/606808242.db2.gz JTPWITNJWGOAJF-UHFFFAOYSA-N -1 3 379.445 3.280 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820875780 606811983 /nfs/dbraw/zinc/81/19/83/606811983.db2.gz FTHUNWJTKUUEOD-OAHLLOKOSA-N -1 3 379.464 3.211 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820875780 606811985 /nfs/dbraw/zinc/81/19/85/606811985.db2.gz FTHUNWJTKUUEOD-OAHLLOKOSA-N -1 3 379.464 3.211 20 0 GGADHM CC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819834700 606812246 /nfs/dbraw/zinc/81/22/46/606812246.db2.gz RUNXEBNSMSRONB-LLVKDONJSA-N -1 3 385.811 3.129 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823009933 606813100 /nfs/dbraw/zinc/81/31/00/606813100.db2.gz YYWRJRYFJOUNHV-UHFFFAOYSA-N -1 3 392.438 3.124 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823498285 606814825 /nfs/dbraw/zinc/81/48/25/606814825.db2.gz KGEBWALEDIQOEX-CYBMUJFWSA-N -1 3 380.433 3.437 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823498285 606814827 /nfs/dbraw/zinc/81/48/27/606814827.db2.gz KGEBWALEDIQOEX-CYBMUJFWSA-N -1 3 380.433 3.437 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1CCC(F)(F)F ZINC000823037163 606815982 /nfs/dbraw/zinc/81/59/82/606815982.db2.gz RLEITZVTURCCCQ-UHFFFAOYSA-N -1 3 391.353 3.379 20 0 GGADHM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820981546 606816327 /nfs/dbraw/zinc/81/63/27/606816327.db2.gz SUTTUYGOGASKJG-BBRMVZONSA-N -1 3 381.436 3.347 20 0 GGADHM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820981546 606816329 /nfs/dbraw/zinc/81/63/29/606816329.db2.gz SUTTUYGOGASKJG-BBRMVZONSA-N -1 3 381.436 3.347 20 0 GGADHM CC(C)(C)OCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819950659 606826127 /nfs/dbraw/zinc/82/61/27/606826127.db2.gz KSLPZKSAWDENOS-UHFFFAOYSA-N -1 3 397.435 3.416 20 0 GGADHM CC(C)(C)OCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819950659 606826130 /nfs/dbraw/zinc/82/61/30/606826130.db2.gz KSLPZKSAWDENOS-UHFFFAOYSA-N -1 3 397.435 3.416 20 0 GGADHM Cc1nc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)oc1-c1ccc(Cl)cc1 ZINC000822444152 606827086 /nfs/dbraw/zinc/82/70/86/606827086.db2.gz DKAOUPCUAQQKCT-UHFFFAOYSA-N -1 3 384.783 3.169 20 0 GGADHM Cc1nc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)oc1-c1ccc(Cl)cc1 ZINC000822444152 606827088 /nfs/dbraw/zinc/82/70/88/606827088.db2.gz DKAOUPCUAQQKCT-UHFFFAOYSA-N -1 3 384.783 3.169 20 0 GGADHM COCc1cccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821695753 606828245 /nfs/dbraw/zinc/82/82/45/606828245.db2.gz HHSJEUBQLCRWHL-AWEZNQCLSA-N -1 3 397.504 3.124 20 0 GGADHM COCc1cccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821695753 606828246 /nfs/dbraw/zinc/82/82/46/606828246.db2.gz HHSJEUBQLCRWHL-AWEZNQCLSA-N -1 3 397.504 3.124 20 0 GGADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2Cl ZINC000822916915 606834219 /nfs/dbraw/zinc/83/42/19/606834219.db2.gz IQSZYVGFSPXYRJ-SFHVURJKSA-N -1 3 394.866 3.078 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1(CCO)CCCCC1 ZINC000823303714 606835082 /nfs/dbraw/zinc/83/50/82/606835082.db2.gz RYTBDHQGPSRCQN-UHFFFAOYSA-N -1 3 398.389 3.092 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1(CCO)CCCCC1 ZINC000823303714 606835083 /nfs/dbraw/zinc/83/50/83/606835083.db2.gz RYTBDHQGPSRCQN-UHFFFAOYSA-N -1 3 398.389 3.092 20 0 GGADHM Cc1ccccc1-n1cnnc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822345385 606836508 /nfs/dbraw/zinc/83/65/08/606836508.db2.gz HNBHWSSCXVWWMR-UHFFFAOYSA-N -1 3 393.476 3.317 20 0 GGADHM Cc1ccccc1-n1cnnc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822345385 606836510 /nfs/dbraw/zinc/83/65/10/606836510.db2.gz HNBHWSSCXVWWMR-UHFFFAOYSA-N -1 3 393.476 3.317 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000820562945 606840410 /nfs/dbraw/zinc/84/04/10/606840410.db2.gz KDVANTRHQURTGF-SNVBAGLBSA-N -1 3 395.847 3.041 20 0 GGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820697956 606840697 /nfs/dbraw/zinc/84/06/97/606840697.db2.gz OJMORAYPWJUWJO-GASCZTMLSA-N -1 3 389.525 3.158 20 0 GGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820697956 606840698 /nfs/dbraw/zinc/84/06/98/606840698.db2.gz OJMORAYPWJUWJO-GASCZTMLSA-N -1 3 389.525 3.158 20 0 GGADHM c1c(CSCCCOc2cccc(-c3nnn[n-]3)c2)nnn1-c1ccccc1 ZINC000823774038 606841858 /nfs/dbraw/zinc/84/18/58/606841858.db2.gz XXLFNYXXBBUZLS-UHFFFAOYSA-N -1 3 393.476 3.150 20 0 GGADHM c1c(CSCCCOc2cccc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000823774038 606841860 /nfs/dbraw/zinc/84/18/60/606841860.db2.gz XXLFNYXXBBUZLS-UHFFFAOYSA-N -1 3 393.476 3.150 20 0 GGADHM CC(C)C[C@H](C)N(C)C(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820055687 606842381 /nfs/dbraw/zinc/84/23/81/606842381.db2.gz JSDSSOOYOYJPGL-HNNXBMFYSA-N -1 3 391.541 3.262 20 0 GGADHM CC(C)C[C@H](C)N(C)C(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820055687 606842382 /nfs/dbraw/zinc/84/23/82/606842382.db2.gz JSDSSOOYOYJPGL-HNNXBMFYSA-N -1 3 391.541 3.262 20 0 GGADHM Cc1cccc(-n2ccnc2SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822284278 606847647 /nfs/dbraw/zinc/84/76/47/606847647.db2.gz NJLMSGQFGIXZSW-QGZVFWFLSA-N -1 3 378.461 3.187 20 0 GGADHM Cc1cccc(-n2ccnc2SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822284278 606847648 /nfs/dbraw/zinc/84/76/48/606847648.db2.gz NJLMSGQFGIXZSW-QGZVFWFLSA-N -1 3 378.461 3.187 20 0 GGADHM Cc1ccc(C)c(-n2ccnc2SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230717 606847882 /nfs/dbraw/zinc/84/78/82/606847882.db2.gz OFRQKDUNNVMTKJ-GOSISDBHSA-N -1 3 392.488 3.495 20 0 GGADHM Cc1ccc(C)c(-n2ccnc2SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230717 606847883 /nfs/dbraw/zinc/84/78/83/606847883.db2.gz OFRQKDUNNVMTKJ-GOSISDBHSA-N -1 3 392.488 3.495 20 0 GGADHM CCNc1nc(SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC000821315865 606848975 /nfs/dbraw/zinc/84/89/75/606848975.db2.gz YEWONMVSQJSDAH-MRXNPFEDSA-N -1 3 393.476 3.067 20 0 GGADHM CCNc1nc(SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC000821315865 606848977 /nfs/dbraw/zinc/84/89/77/606848977.db2.gz YEWONMVSQJSDAH-MRXNPFEDSA-N -1 3 393.476 3.067 20 0 GGADHM COc1ccccc1N1CC[C@@H](SCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000821897090 606849234 /nfs/dbraw/zinc/84/92/34/606849234.db2.gz DEQSBQHCKGCPNU-QGZVFWFLSA-N -1 3 399.451 3.053 20 0 GGADHM COc1ccccc1N1CC[C@@H](SCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000821897090 606849235 /nfs/dbraw/zinc/84/92/35/606849235.db2.gz DEQSBQHCKGCPNU-QGZVFWFLSA-N -1 3 399.451 3.053 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822486383 606850258 /nfs/dbraw/zinc/85/02/58/606850258.db2.gz IBIYXYVKDILUCC-CYBMUJFWSA-N -1 3 391.401 3.135 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823551474 606852190 /nfs/dbraw/zinc/85/21/90/606852190.db2.gz RSWOKWQDCVLKPP-UHFFFAOYSA-N -1 3 399.863 3.299 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823551474 606852192 /nfs/dbraw/zinc/85/21/92/606852192.db2.gz RSWOKWQDCVLKPP-UHFFFAOYSA-N -1 3 399.863 3.299 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC[C@H]2COCC[C@H]21 ZINC000823492989 606856174 /nfs/dbraw/zinc/85/61/74/606856174.db2.gz CKSUULNVCNKNCG-MGPUTAFESA-N -1 3 389.459 3.175 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC[C@H]2COCC[C@H]21 ZINC000823492989 606856175 /nfs/dbraw/zinc/85/61/75/606856175.db2.gz CKSUULNVCNKNCG-MGPUTAFESA-N -1 3 389.459 3.175 20 0 GGADHM O[C@@H](CSc1nnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823699490 606861139 /nfs/dbraw/zinc/86/11/39/606861139.db2.gz VAHUDIYSFOHRSM-AWEZNQCLSA-N -1 3 382.474 3.211 20 0 GGADHM O[C@@H](CSc1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823699490 606861141 /nfs/dbraw/zinc/86/11/41/606861141.db2.gz VAHUDIYSFOHRSM-AWEZNQCLSA-N -1 3 382.474 3.211 20 0 GGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821772549 606861404 /nfs/dbraw/zinc/86/14/04/606861404.db2.gz FKMADDPTIGEWNQ-CYBMUJFWSA-N -1 3 395.463 3.039 20 0 GGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821772549 606861406 /nfs/dbraw/zinc/86/14/06/606861406.db2.gz FKMADDPTIGEWNQ-CYBMUJFWSA-N -1 3 395.463 3.039 20 0 GGADHM COc1cc(OC)c(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821723492 606861926 /nfs/dbraw/zinc/86/19/26/606861926.db2.gz BGZIBGATTALDET-UHFFFAOYSA-N -1 3 389.843 3.418 20 0 GGADHM COc1cc(OC)c(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821723492 606861928 /nfs/dbraw/zinc/86/19/28/606861928.db2.gz BGZIBGATTALDET-UHFFFAOYSA-N -1 3 389.843 3.418 20 0 GGADHM CCC(=O)Nc1ccc(C)c(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820837910 606863324 /nfs/dbraw/zinc/86/33/24/606863324.db2.gz OALUSHCFVMBHAK-UHFFFAOYSA-N -1 3 380.452 3.405 20 0 GGADHM CCC(=O)Nc1ccc(C)c(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820837910 606863325 /nfs/dbraw/zinc/86/33/25/606863325.db2.gz OALUSHCFVMBHAK-UHFFFAOYSA-N -1 3 380.452 3.405 20 0 GGADHM Cc1cc(F)c(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000822202293 606864672 /nfs/dbraw/zinc/86/46/72/606864672.db2.gz UTWKADFYSWOWCA-UHFFFAOYSA-N -1 3 399.401 3.137 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000820121702 606871713 /nfs/dbraw/zinc/87/17/13/606871713.db2.gz VJNFRJGTACJKDR-UHFFFAOYSA-N -1 3 379.468 3.229 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000820121702 606871715 /nfs/dbraw/zinc/87/17/15/606871715.db2.gz VJNFRJGTACJKDR-UHFFFAOYSA-N -1 3 379.468 3.229 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000822211773 606872055 /nfs/dbraw/zinc/87/20/55/606872055.db2.gz NZAJLTTUCOGZLL-FZKQIMNGSA-N -1 3 379.420 3.473 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000822211773 606872058 /nfs/dbraw/zinc/87/20/58/606872058.db2.gz NZAJLTTUCOGZLL-FZKQIMNGSA-N -1 3 379.420 3.473 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)O1 ZINC000820678106 606873391 /nfs/dbraw/zinc/87/33/91/606873391.db2.gz SSOSZTPEEUOMKM-XIKOKIGWSA-N -1 3 397.410 3.091 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)O1 ZINC000820678106 606873393 /nfs/dbraw/zinc/87/33/93/606873393.db2.gz SSOSZTPEEUOMKM-XIKOKIGWSA-N -1 3 397.410 3.091 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCN(c4cccs4)CC3)c2c1 ZINC000822753195 606875969 /nfs/dbraw/zinc/87/59/69/606875969.db2.gz IIIHQFMKNIWKTQ-UHFFFAOYSA-N -1 3 399.430 3.081 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCN(c4cccs4)CC3)c2c1 ZINC000822753195 606875970 /nfs/dbraw/zinc/87/59/70/606875970.db2.gz IIIHQFMKNIWKTQ-UHFFFAOYSA-N -1 3 399.430 3.081 20 0 GGADHM Clc1cccnc1N1CC[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000822591072 606876259 /nfs/dbraw/zinc/87/62/59/606876259.db2.gz PYWNZSJGVVEJID-ZDUSSCGKSA-N -1 3 392.854 3.154 20 0 GGADHM Clc1cccnc1N1CC[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000822591072 606876260 /nfs/dbraw/zinc/87/62/60/606876260.db2.gz PYWNZSJGVVEJID-ZDUSSCGKSA-N -1 3 392.854 3.154 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000822206163 606877144 /nfs/dbraw/zinc/87/71/44/606877144.db2.gz WSOJTSYCLNVBPD-AUUYWEPGSA-N -1 3 395.438 3.415 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000822206163 606877145 /nfs/dbraw/zinc/87/71/45/606877145.db2.gz WSOJTSYCLNVBPD-AUUYWEPGSA-N -1 3 395.438 3.415 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821607126 606890201 /nfs/dbraw/zinc/89/02/01/606890201.db2.gz AEDLPBRMQFZXFC-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821607126 606890202 /nfs/dbraw/zinc/89/02/02/606890202.db2.gz AEDLPBRMQFZXFC-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM C[C@]1(COC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCCO1 ZINC000820623186 606898574 /nfs/dbraw/zinc/89/85/74/606898574.db2.gz HPVZAYDDWHKJRV-OAQYLSRUSA-N -1 3 394.431 3.172 20 0 GGADHM C[C@]1(COC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCCO1 ZINC000820623186 606898576 /nfs/dbraw/zinc/89/85/76/606898576.db2.gz HPVZAYDDWHKJRV-OAQYLSRUSA-N -1 3 394.431 3.172 20 0 GGADHM C[C@@]1(COC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000820623660 606899010 /nfs/dbraw/zinc/89/90/10/606899010.db2.gz VXPBOCBCEZJAOA-NRFANRHFSA-N -1 3 394.431 3.172 20 0 GGADHM C[C@@]1(COC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000820623660 606899012 /nfs/dbraw/zinc/89/90/12/606899012.db2.gz VXPBOCBCEZJAOA-NRFANRHFSA-N -1 3 394.431 3.172 20 0 GGADHM C[C@]1(COC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCCO1 ZINC000820623553 606899020 /nfs/dbraw/zinc/89/90/20/606899020.db2.gz URGZBBMIMCIJKH-OAQYLSRUSA-N -1 3 394.431 3.172 20 0 GGADHM C[C@]1(COC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCCO1 ZINC000820623553 606899022 /nfs/dbraw/zinc/89/90/22/606899022.db2.gz URGZBBMIMCIJKH-OAQYLSRUSA-N -1 3 394.431 3.172 20 0 GGADHM Cc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000822225075 606901022 /nfs/dbraw/zinc/90/10/22/606901022.db2.gz NCMRDQQHGPXQQB-UHFFFAOYSA-N -1 3 390.321 3.234 20 0 GGADHM Cc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000822225075 606901023 /nfs/dbraw/zinc/90/10/23/606901023.db2.gz NCMRDQQHGPXQQB-UHFFFAOYSA-N -1 3 390.321 3.234 20 0 GGADHM O=C(OCCCCCn1cccn1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823400698 606902157 /nfs/dbraw/zinc/90/21/57/606902157.db2.gz IFRKZHOPSAZEHN-UHFFFAOYSA-N -1 3 394.357 3.109 20 0 GGADHM O=C(OCCCCCn1cccn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823400698 606902159 /nfs/dbraw/zinc/90/21/59/606902159.db2.gz IFRKZHOPSAZEHN-UHFFFAOYSA-N -1 3 394.357 3.109 20 0 GGADHM CCc1nnc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548465 606911643 /nfs/dbraw/zinc/91/16/43/606911643.db2.gz MVLZAJLXSISPRM-HNNXBMFYSA-N -1 3 395.467 3.083 20 0 GGADHM CCc1nnc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548465 606911645 /nfs/dbraw/zinc/91/16/45/606911645.db2.gz MVLZAJLXSISPRM-HNNXBMFYSA-N -1 3 395.467 3.083 20 0 GGADHM CCc1nnc(Nc2ccc(NC(=O)C(C)C)cc2)c(-c2nnn[n-]2)c1CC ZINC000821547776 606917633 /nfs/dbraw/zinc/91/76/33/606917633.db2.gz BSYPFGXLQAIQKF-UHFFFAOYSA-N -1 3 380.456 3.120 20 0 GGADHM CCc1nnc(Nc2ccc(NC(=O)C(C)C)cc2)c(-c2nn[n-]n2)c1CC ZINC000821547776 606917634 /nfs/dbraw/zinc/91/76/34/606917634.db2.gz BSYPFGXLQAIQKF-UHFFFAOYSA-N -1 3 380.456 3.120 20 0 GGADHM CC(=O)Nc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000819826644 606920454 /nfs/dbraw/zinc/92/04/54/606920454.db2.gz MYGWHBYPFCSIEM-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM CC(=O)Nc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000819826644 606920456 /nfs/dbraw/zinc/92/04/56/606920456.db2.gz MYGWHBYPFCSIEM-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000820456299 606923790 /nfs/dbraw/zinc/92/37/90/606923790.db2.gz RRFZSLKNTFBEPM-LLVKDONJSA-N -1 3 390.369 3.002 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000820456299 606923792 /nfs/dbraw/zinc/92/37/92/606923792.db2.gz RRFZSLKNTFBEPM-LLVKDONJSA-N -1 3 390.369 3.002 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000821608302 606924687 /nfs/dbraw/zinc/92/46/87/606924687.db2.gz BBJYKZPLWFSXNU-UHFFFAOYSA-N -1 3 394.479 3.030 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000821608302 606924689 /nfs/dbraw/zinc/92/46/89/606924689.db2.gz BBJYKZPLWFSXNU-UHFFFAOYSA-N -1 3 394.479 3.030 20 0 GGADHM CC(C)c1nnc2n1C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC2 ZINC000820211089 606927000 /nfs/dbraw/zinc/92/70/00/606927000.db2.gz CMFSQLPNOUOVTD-LLVKDONJSA-N -1 3 392.389 3.027 20 0 GGADHM CC(C)c1nnc2n1C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC2 ZINC000820211089 606927001 /nfs/dbraw/zinc/92/70/01/606927001.db2.gz CMFSQLPNOUOVTD-LLVKDONJSA-N -1 3 392.389 3.027 20 0 GGADHM C[C@@H](NC(=O)N1CCOC2(C1)CCCCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348650 606928934 /nfs/dbraw/zinc/92/89/34/606928934.db2.gz FJIOIHRKRDYUND-OAHLLOKOSA-N -1 3 384.484 3.063 20 0 GGADHM C[C@@H](NC(=O)N1CCOC2(C1)CCCCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348650 606928936 /nfs/dbraw/zinc/92/89/36/606928936.db2.gz FJIOIHRKRDYUND-OAHLLOKOSA-N -1 3 384.484 3.063 20 0 GGADHM CCc1nccn1[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821516830 606932191 /nfs/dbraw/zinc/93/21/91/606932191.db2.gz CZBSSOMCBFOIIN-ZDUSSCGKSA-N -1 3 391.401 3.486 20 0 GGADHM CCc1nnc(N2CCC(OC3CCC(C)CC3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821523625 606933943 /nfs/dbraw/zinc/93/39/43/606933943.db2.gz ZBJALWZQPUPQNH-UHFFFAOYSA-N -1 3 399.543 3.346 20 0 GGADHM CCc1nnc(N2CCC(OC3CCC(C)CC3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821523625 606933945 /nfs/dbraw/zinc/93/39/45/606933945.db2.gz ZBJALWZQPUPQNH-UHFFFAOYSA-N -1 3 399.543 3.346 20 0 GGADHM COC(=O)c1ccc2c(c1)CN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C2 ZINC000821669966 606934901 /nfs/dbraw/zinc/93/49/01/606934901.db2.gz HESGTXARQZVIRB-UHFFFAOYSA-N -1 3 389.337 3.192 20 0 GGADHM COC(=O)c1ccc2c(c1)CN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C2 ZINC000821669966 606934903 /nfs/dbraw/zinc/93/49/03/606934903.db2.gz HESGTXARQZVIRB-UHFFFAOYSA-N -1 3 389.337 3.192 20 0 GGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000823689529 606939159 /nfs/dbraw/zinc/93/91/59/606939159.db2.gz HBXLPBYMLJCNBO-ZDUSSCGKSA-N -1 3 385.296 3.309 20 0 GGADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000823689529 606939161 /nfs/dbraw/zinc/93/91/61/606939161.db2.gz HBXLPBYMLJCNBO-ZDUSSCGKSA-N -1 3 385.296 3.309 20 0 GGADHM C[S@@](=O)c1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000821941662 606943270 /nfs/dbraw/zinc/94/32/70/606943270.db2.gz HTJPNHNTERXIQK-AREMUKBSSA-N -1 3 381.383 3.235 20 0 GGADHM C[S@@](=O)c1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000821941662 606943272 /nfs/dbraw/zinc/94/32/72/606943272.db2.gz HTJPNHNTERXIQK-AREMUKBSSA-N -1 3 381.383 3.235 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc2ncccc21 ZINC000823405530 606946014 /nfs/dbraw/zinc/94/60/14/606946014.db2.gz STSOEDYPXJQVLF-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc2ncccc21 ZINC000823405530 606946015 /nfs/dbraw/zinc/94/60/15/606946015.db2.gz STSOEDYPXJQVLF-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM CC[C@H](OC(=O)c1sccc1-c1nnn[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000820939648 606947678 /nfs/dbraw/zinc/94/76/78/606947678.db2.gz WYDGAQXVCYCLGK-LBPRGKRZSA-N -1 3 376.825 3.400 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccco2)s1 ZINC000823405082 606948777 /nfs/dbraw/zinc/94/87/77/606948777.db2.gz IGLMPUZXPYUKME-UHFFFAOYSA-N -1 3 397.416 3.209 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccco2)s1 ZINC000823405082 606948778 /nfs/dbraw/zinc/94/87/78/606948778.db2.gz IGLMPUZXPYUKME-UHFFFAOYSA-N -1 3 397.416 3.209 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCSc2ccccc21 ZINC000823401142 606950722 /nfs/dbraw/zinc/95/07/22/606950722.db2.gz QFMLLWNQAQCQBQ-KRWDZBQOSA-N -1 3 396.472 3.458 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCSc2ccccc21 ZINC000823401142 606950724 /nfs/dbraw/zinc/95/07/24/606950724.db2.gz QFMLLWNQAQCQBQ-KRWDZBQOSA-N -1 3 396.472 3.458 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821617008 606953536 /nfs/dbraw/zinc/95/35/36/606953536.db2.gz SAFBEYGIZXXFPI-UHFFFAOYSA-N -1 3 392.398 3.060 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821617008 606953537 /nfs/dbraw/zinc/95/35/37/606953537.db2.gz SAFBEYGIZXXFPI-UHFFFAOYSA-N -1 3 392.398 3.060 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000820526066 606953880 /nfs/dbraw/zinc/95/38/80/606953880.db2.gz IDBFUSZZMGNVFL-ZDUSSCGKSA-N -1 3 395.467 3.054 20 0 GGADHM O=C(NCCNc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823202544 606955231 /nfs/dbraw/zinc/95/52/31/606955231.db2.gz WLHPXAIABGONDC-UHFFFAOYSA-N -1 3 391.357 3.119 20 0 GGADHM O=C(NCCNc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823202544 606955232 /nfs/dbraw/zinc/95/52/32/606955232.db2.gz WLHPXAIABGONDC-UHFFFAOYSA-N -1 3 391.357 3.119 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccn(C2CCCC2)n1 ZINC000821699402 606957596 /nfs/dbraw/zinc/95/75/96/606957596.db2.gz OUSJEEJDEOQDJJ-UHFFFAOYSA-N -1 3 388.815 3.060 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccn(C2CCCC2)n1 ZINC000821699402 606957598 /nfs/dbraw/zinc/95/75/98/606957598.db2.gz OUSJEEJDEOQDJJ-UHFFFAOYSA-N -1 3 388.815 3.060 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000822402487 606958129 /nfs/dbraw/zinc/95/81/29/606958129.db2.gz BITCVMSJYJOLME-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000822402487 606958130 /nfs/dbraw/zinc/95/81/30/606958130.db2.gz BITCVMSJYJOLME-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM CN(C(=O)C1CC(OCc2ccccc2)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569603 606962702 /nfs/dbraw/zinc/96/27/02/606962702.db2.gz PDUIALPRVBGYRC-UHFFFAOYSA-N -1 3 397.866 3.478 20 0 GGADHM CN(C(=O)C1CC(OCc2ccccc2)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569603 606962704 /nfs/dbraw/zinc/96/27/04/606962704.db2.gz PDUIALPRVBGYRC-UHFFFAOYSA-N -1 3 397.866 3.478 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822535274 606963642 /nfs/dbraw/zinc/96/36/42/606963642.db2.gz LSLUCQVMOBOYLK-UHFFFAOYSA-N -1 3 398.810 3.282 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822535274 606963644 /nfs/dbraw/zinc/96/36/44/606963644.db2.gz LSLUCQVMOBOYLK-UHFFFAOYSA-N -1 3 398.810 3.282 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820938924 606964387 /nfs/dbraw/zinc/96/43/87/606964387.db2.gz OUHYZQFHUQZALB-HNNXBMFYSA-N -1 3 389.818 3.480 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820938924 606964389 /nfs/dbraw/zinc/96/43/89/606964389.db2.gz OUHYZQFHUQZALB-HNNXBMFYSA-N -1 3 389.818 3.480 20 0 GGADHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc(OC)c1C ZINC000821703340 606964974 /nfs/dbraw/zinc/96/49/74/606964974.db2.gz ZTRATVURXOYPMI-UHFFFAOYSA-N -1 3 387.827 3.122 20 0 GGADHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc(OC)c1C ZINC000821703340 606964975 /nfs/dbraw/zinc/96/49/75/606964975.db2.gz ZTRATVURXOYPMI-UHFFFAOYSA-N -1 3 387.827 3.122 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1Br ZINC000823078981 606966911 /nfs/dbraw/zinc/96/69/11/606966911.db2.gz ZXUGUYSGOFLRBL-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1Br ZINC000823078981 606966913 /nfs/dbraw/zinc/96/69/13/606966913.db2.gz ZXUGUYSGOFLRBL-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000820543188 606976165 /nfs/dbraw/zinc/97/61/65/606976165.db2.gz VZAIDOGNWSWNSX-VXGBXAGGSA-N -1 3 399.401 3.058 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000820543188 606976166 /nfs/dbraw/zinc/97/61/66/606976166.db2.gz VZAIDOGNWSWNSX-VXGBXAGGSA-N -1 3 399.401 3.058 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1nc(C)c(C)s1 ZINC000821699606 606982807 /nfs/dbraw/zinc/98/28/07/606982807.db2.gz WJSNWBODCAREJX-UHFFFAOYSA-N -1 3 396.270 3.290 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1nc(C)c(C)s1 ZINC000821699606 606982808 /nfs/dbraw/zinc/98/28/08/606982808.db2.gz WJSNWBODCAREJX-UHFFFAOYSA-N -1 3 396.270 3.290 20 0 GGADHM COC(C)(C)CN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821672361 606987411 /nfs/dbraw/zinc/98/74/11/606987411.db2.gz IDTUEBJWZDNAFH-UHFFFAOYSA-N -1 3 381.436 3.156 20 0 GGADHM COC(C)(C)CN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821672361 606987412 /nfs/dbraw/zinc/98/74/12/606987412.db2.gz IDTUEBJWZDNAFH-UHFFFAOYSA-N -1 3 381.436 3.156 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822403825 606989151 /nfs/dbraw/zinc/98/91/51/606989151.db2.gz WEANMCADZZACIF-CYBMUJFWSA-N -1 3 390.403 3.236 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822403825 606989152 /nfs/dbraw/zinc/98/91/52/606989152.db2.gz WEANMCADZZACIF-CYBMUJFWSA-N -1 3 390.403 3.236 20 0 GGADHM CC(C)c1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000820187826 606995027 /nfs/dbraw/zinc/99/50/27/606995027.db2.gz URFZVUKZPPQYEO-UHFFFAOYSA-N -1 3 386.431 3.438 20 0 GGADHM CC(C)c1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000820187826 606995028 /nfs/dbraw/zinc/99/50/28/606995028.db2.gz URFZVUKZPPQYEO-UHFFFAOYSA-N -1 3 386.431 3.438 20 0 GGADHM O=C(CCCCC(=O)c1ccccc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822955095 606995547 /nfs/dbraw/zinc/99/55/47/606995547.db2.gz ITQDQVHFGKBCRZ-UHFFFAOYSA-N -1 3 382.395 3.492 20 0 GGADHM O=C(CCCCC(=O)c1ccccc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822955095 606995549 /nfs/dbraw/zinc/99/55/49/606995549.db2.gz ITQDQVHFGKBCRZ-UHFFFAOYSA-N -1 3 382.395 3.492 20 0 GGADHM CCCOc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821138942 606995558 /nfs/dbraw/zinc/99/55/58/606995558.db2.gz LLTIFWXPARVDOJ-UHFFFAOYSA-N -1 3 381.436 3.452 20 0 GGADHM CCCOc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821138942 606995560 /nfs/dbraw/zinc/99/55/60/606995560.db2.gz LLTIFWXPARVDOJ-UHFFFAOYSA-N -1 3 381.436 3.452 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000820001665 606997593 /nfs/dbraw/zinc/99/75/93/606997593.db2.gz XRBPCJBHKPZGCS-UHFFFAOYSA-N -1 3 389.362 3.264 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000820001665 606997594 /nfs/dbraw/zinc/99/75/94/606997594.db2.gz XRBPCJBHKPZGCS-UHFFFAOYSA-N -1 3 389.362 3.264 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)cc2)o1 ZINC000822505339 607007259 /nfs/dbraw/zinc/00/72/59/607007259.db2.gz JKKGWOQTSXFXQQ-UHFFFAOYSA-N -1 3 393.432 3.028 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)cc2)o1 ZINC000822505339 607007262 /nfs/dbraw/zinc/00/72/62/607007262.db2.gz JKKGWOQTSXFXQQ-UHFFFAOYSA-N -1 3 393.432 3.028 20 0 GGADHM CC1(C)C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2O1 ZINC000820590508 607010763 /nfs/dbraw/zinc/01/07/63/607010763.db2.gz VGBMNXNQNKTSSB-HNNXBMFYSA-N -1 3 382.399 3.430 20 0 GGADHM CC1(C)C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC000820590508 607010764 /nfs/dbraw/zinc/01/07/64/607010764.db2.gz VGBMNXNQNKTSSB-HNNXBMFYSA-N -1 3 382.399 3.430 20 0 GGADHM CCOc1ccc(CN(C)C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821417008 607011510 /nfs/dbraw/zinc/01/15/10/607011510.db2.gz GSSHDNDWKSZRGJ-UHFFFAOYSA-N -1 3 383.477 3.016 20 0 GGADHM CCOc1ccc(CN(C)C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821417008 607011512 /nfs/dbraw/zinc/01/15/12/607011512.db2.gz GSSHDNDWKSZRGJ-UHFFFAOYSA-N -1 3 383.477 3.016 20 0 GGADHM COc1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000821831890 607012080 /nfs/dbraw/zinc/01/20/80/607012080.db2.gz RCODRVGYPGVNTP-LLVKDONJSA-N -1 3 385.449 3.003 20 0 GGADHM COc1ccc(NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000821831890 607012082 /nfs/dbraw/zinc/01/20/82/607012082.db2.gz RCODRVGYPGVNTP-LLVKDONJSA-N -1 3 385.449 3.003 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820562529 607015126 /nfs/dbraw/zinc/01/51/26/607015126.db2.gz GGUKFVXJAWYKTN-NSHDSACASA-N -1 3 389.431 3.457 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820562529 607015127 /nfs/dbraw/zinc/01/51/27/607015127.db2.gz GGUKFVXJAWYKTN-NSHDSACASA-N -1 3 389.431 3.457 20 0 GGADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000822940742 607020342 /nfs/dbraw/zinc/02/03/42/607020342.db2.gz CJVRBGVVGSMTKS-INIZCTEOSA-N -1 3 379.420 3.118 20 0 GGADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000822940742 607020344 /nfs/dbraw/zinc/02/03/44/607020344.db2.gz CJVRBGVVGSMTKS-INIZCTEOSA-N -1 3 379.420 3.118 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823478707 607020925 /nfs/dbraw/zinc/02/09/25/607020925.db2.gz PVOPWJLYAKIDDQ-UHFFFAOYSA-N -1 3 392.366 3.033 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823478707 607020927 /nfs/dbraw/zinc/02/09/27/607020927.db2.gz PVOPWJLYAKIDDQ-UHFFFAOYSA-N -1 3 392.366 3.033 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822350105 607021045 /nfs/dbraw/zinc/02/10/45/607021045.db2.gz AGLYNJJTASSEFL-QGZVFWFLSA-N -1 3 391.475 3.349 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822350105 607021047 /nfs/dbraw/zinc/02/10/47/607021047.db2.gz AGLYNJJTASSEFL-QGZVFWFLSA-N -1 3 391.475 3.349 20 0 GGADHM C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820461859 607022766 /nfs/dbraw/zinc/02/27/66/607022766.db2.gz RRORZTNETJCIOR-GFCCVEGCSA-N -1 3 378.436 3.019 20 0 GGADHM C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820461859 607022767 /nfs/dbraw/zinc/02/27/67/607022767.db2.gz RRORZTNETJCIOR-GFCCVEGCSA-N -1 3 378.436 3.019 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822419669 607024699 /nfs/dbraw/zinc/02/46/99/607024699.db2.gz SALUFRVMDXVAPN-CYBMUJFWSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822419669 607024702 /nfs/dbraw/zinc/02/47/02/607024702.db2.gz SALUFRVMDXVAPN-CYBMUJFWSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOCCc1ccccc1 ZINC000822505308 607028405 /nfs/dbraw/zinc/02/84/05/607028405.db2.gz IAGKLGDMLIQWMH-UHFFFAOYSA-N -1 3 389.463 3.083 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOCCc1ccccc1 ZINC000822505308 607028406 /nfs/dbraw/zinc/02/84/06/607028406.db2.gz IAGKLGDMLIQWMH-UHFFFAOYSA-N -1 3 389.463 3.083 20 0 GGADHM CCCCC[C@H](C)NC(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821049318 607030608 /nfs/dbraw/zinc/03/06/08/607030608.db2.gz KPCHLWRICSPNTN-NSHDSACASA-N -1 3 396.289 3.093 20 0 GGADHM CCCCC[C@H](C)NC(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821049318 607030609 /nfs/dbraw/zinc/03/06/09/607030609.db2.gz KPCHLWRICSPNTN-NSHDSACASA-N -1 3 396.289 3.093 20 0 GGADHM CO[C@@H](C)c1nc(COc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000821675112 607031295 /nfs/dbraw/zinc/03/12/95/607031295.db2.gz DIKKDYLZRIOLDO-QMMMGPOBSA-N -1 3 396.270 3.372 20 0 GGADHM CO[C@@H](C)c1nc(COc2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000821675112 607031296 /nfs/dbraw/zinc/03/12/96/607031296.db2.gz DIKKDYLZRIOLDO-QMMMGPOBSA-N -1 3 396.270 3.372 20 0 GGADHM O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823144589 607035682 /nfs/dbraw/zinc/03/56/82/607035682.db2.gz JMAMWZNCQASXHP-KRWDZBQOSA-N -1 3 375.432 3.433 20 0 GGADHM O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823144589 607035684 /nfs/dbraw/zinc/03/56/84/607035684.db2.gz JMAMWZNCQASXHP-KRWDZBQOSA-N -1 3 375.432 3.433 20 0 GGADHM O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823144590 607035745 /nfs/dbraw/zinc/03/57/45/607035745.db2.gz JMAMWZNCQASXHP-QGZVFWFLSA-N -1 3 375.432 3.433 20 0 GGADHM O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823144590 607035746 /nfs/dbraw/zinc/03/57/46/607035746.db2.gz JMAMWZNCQASXHP-QGZVFWFLSA-N -1 3 375.432 3.433 20 0 GGADHM Cc1cc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000822184258 607037856 /nfs/dbraw/zinc/03/78/56/607037856.db2.gz QKFBYJKIVOCNEW-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1C ZINC000822482715 607039764 /nfs/dbraw/zinc/03/97/64/607039764.db2.gz YFAVKHSHFRJYNW-IUODEOHRSA-N -1 3 379.468 3.434 20 0 GGADHM Cc1nc(C)c(-c2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)s1 ZINC000822427090 607039776 /nfs/dbraw/zinc/03/97/76/607039776.db2.gz CHMQRYOQLGYOGM-UHFFFAOYSA-N -1 3 389.441 3.421 20 0 GGADHM Cc1nc(C)c(-c2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)s1 ZINC000822427090 607039777 /nfs/dbraw/zinc/03/97/77/607039777.db2.gz CHMQRYOQLGYOGM-UHFFFAOYSA-N -1 3 389.441 3.421 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000823551097 607040658 /nfs/dbraw/zinc/04/06/58/607040658.db2.gz FEXBSWDWGJXCDG-QPEQYQDCSA-N -1 3 387.421 3.304 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000823551097 607040660 /nfs/dbraw/zinc/04/06/60/607040660.db2.gz FEXBSWDWGJXCDG-QPEQYQDCSA-N -1 3 387.421 3.304 20 0 GGADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(C(F)F)CC3)c2c1 ZINC000822737514 607040665 /nfs/dbraw/zinc/04/06/65/607040665.db2.gz YHFHXFZRKLVVCW-UHFFFAOYSA-N -1 3 396.348 3.498 20 0 GGADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(C(F)F)CC3)c2c1 ZINC000822737514 607040667 /nfs/dbraw/zinc/04/06/67/607040667.db2.gz YHFHXFZRKLVVCW-UHFFFAOYSA-N -1 3 396.348 3.498 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnn(C(C)(C)C)c1C ZINC000821123208 607040973 /nfs/dbraw/zinc/04/09/73/607040973.db2.gz MTSNXHUKWDXCTC-UHFFFAOYSA-N -1 3 382.472 3.201 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1ccccc1F ZINC000821118565 607041131 /nfs/dbraw/zinc/04/11/31/607041131.db2.gz PBJFJWGKPJLRPJ-UHFFFAOYSA-N -1 3 384.415 3.235 20 0 GGADHM CCCCOc1cccc(CNC(=O)COc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000821077394 607041135 /nfs/dbraw/zinc/04/11/35/607041135.db2.gz DHCLDSGFYMQUEP-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM CCCCOc1cccc(CNC(=O)COc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821077394 607041136 /nfs/dbraw/zinc/04/11/36/607041136.db2.gz DHCLDSGFYMQUEP-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM Cc1cc(C(=O)COc2cc(-c3nnn[n-]3)ccc2C)c(C)n1Cc1ccco1 ZINC000822221473 607042126 /nfs/dbraw/zinc/04/21/26/607042126.db2.gz PZWHMUUZRISSTH-UHFFFAOYSA-N -1 3 391.431 3.496 20 0 GGADHM Cc1cc(C(=O)COc2cc(-c3nn[n-]n3)ccc2C)c(C)n1Cc1ccco1 ZINC000822221473 607042128 /nfs/dbraw/zinc/04/21/28/607042128.db2.gz PZWHMUUZRISSTH-UHFFFAOYSA-N -1 3 391.431 3.496 20 0 GGADHM OC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Br)c1 ZINC000823706890 607042435 /nfs/dbraw/zinc/04/24/35/607042435.db2.gz QWXNHESWNXNCCD-AWEZNQCLSA-N -1 3 394.660 3.428 20 0 GGADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Br)c1 ZINC000823706890 607042436 /nfs/dbraw/zinc/04/24/36/607042436.db2.gz QWXNHESWNXNCCD-AWEZNQCLSA-N -1 3 394.660 3.428 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1cccc(C)c1 ZINC000821118570 607042720 /nfs/dbraw/zinc/04/27/20/607042720.db2.gz PHVKDAUDUYCDIL-UHFFFAOYSA-N -1 3 380.452 3.405 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000821449311 607043001 /nfs/dbraw/zinc/04/30/01/607043001.db2.gz RZAVARVEXHBKOF-SECBINFHSA-N -1 3 379.877 3.354 20 0 GGADHM CCS[C@H](C)c1noc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000821449311 607043002 /nfs/dbraw/zinc/04/30/02/607043002.db2.gz RZAVARVEXHBKOF-SECBINFHSA-N -1 3 379.877 3.354 20 0 GGADHM CCS[C@@H](C)c1noc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000821448727 607043149 /nfs/dbraw/zinc/04/31/49/607043149.db2.gz NNHKPAKMOFGPHY-VIFPVBQESA-N -1 3 379.877 3.354 20 0 GGADHM CCS[C@@H](C)c1noc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000821448727 607043152 /nfs/dbraw/zinc/04/31/52/607043152.db2.gz NNHKPAKMOFGPHY-VIFPVBQESA-N -1 3 379.877 3.354 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cc(C)ccc1F ZINC000821123372 607044631 /nfs/dbraw/zinc/04/46/31/607044631.db2.gz PVTTVSPHBKCDHJ-UHFFFAOYSA-N -1 3 384.415 3.154 20 0 GGADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@@H]1n1ccnc1 ZINC000820726885 607046879 /nfs/dbraw/zinc/04/68/79/607046879.db2.gz CNXWAGSMYPQEKK-SJCJKPOMSA-N -1 3 394.870 3.352 20 0 GGADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@@H]1n1ccnc1 ZINC000820726885 607046881 /nfs/dbraw/zinc/04/68/81/607046881.db2.gz CNXWAGSMYPQEKK-SJCJKPOMSA-N -1 3 394.870 3.352 20 0 GGADHM CCNc1nc(C)c(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821310283 607047279 /nfs/dbraw/zinc/04/72/79/607047279.db2.gz YKJFVUPVIVFSOV-GFCCVEGCSA-N -1 3 385.497 3.287 20 0 GGADHM CCNc1nc(C)c(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821310283 607047280 /nfs/dbraw/zinc/04/72/80/607047280.db2.gz YKJFVUPVIVFSOV-GFCCVEGCSA-N -1 3 385.497 3.287 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000822204557 607047935 /nfs/dbraw/zinc/04/79/35/607047935.db2.gz SQHVLBUTZIXZRH-SJCJKPOMSA-N -1 3 392.442 3.146 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000822204557 607047936 /nfs/dbraw/zinc/04/79/36/607047936.db2.gz SQHVLBUTZIXZRH-SJCJKPOMSA-N -1 3 392.442 3.146 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](C)[C@@H](n4ccnc4)C3)c2c1 ZINC000822195473 607048056 /nfs/dbraw/zinc/04/80/56/607048056.db2.gz SOHXWCGVODFHLQ-KSSFIOAISA-N -1 3 388.479 3.316 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](C)[C@@H](n4ccnc4)C3)c2c1 ZINC000822195473 607048057 /nfs/dbraw/zinc/04/80/57/607048057.db2.gz SOHXWCGVODFHLQ-KSSFIOAISA-N -1 3 388.479 3.316 20 0 GGADHM O[C@H](C[C@@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000823674904 607048321 /nfs/dbraw/zinc/04/83/21/607048321.db2.gz TYMOPOFLIOGAMO-DZGCQCFKSA-N -1 3 388.859 3.381 20 0 GGADHM O[C@H](C[C@@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000823674904 607048323 /nfs/dbraw/zinc/04/83/23/607048323.db2.gz TYMOPOFLIOGAMO-DZGCQCFKSA-N -1 3 388.859 3.381 20 0 GGADHM CN(Cc1cc2ccccc2o1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821608363 607053414 /nfs/dbraw/zinc/05/34/14/607053414.db2.gz DAXVEZHEBVICCE-UHFFFAOYSA-N -1 3 391.431 3.429 20 0 GGADHM CN(Cc1cc2ccccc2o1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821608363 607053415 /nfs/dbraw/zinc/05/34/15/607053415.db2.gz DAXVEZHEBVICCE-UHFFFAOYSA-N -1 3 391.431 3.429 20 0 GGADHM Cc1c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822020841 607057517 /nfs/dbraw/zinc/05/75/17/607057517.db2.gz KVXVKMJVBGCABC-GFCCVEGCSA-N -1 3 395.417 3.490 20 0 GGADHM Cc1cccc(CC2CN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000822299789 607061572 /nfs/dbraw/zinc/06/15/72/607061572.db2.gz VCRSCWYFGZCDER-UHFFFAOYSA-N -1 3 391.475 3.034 20 0 GGADHM Cc1cccc(CC2CN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000822299789 607061573 /nfs/dbraw/zinc/06/15/73/607061573.db2.gz VCRSCWYFGZCDER-UHFFFAOYSA-N -1 3 391.475 3.034 20 0 GGADHM C[C@H]1OCCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000820819813 607066699 /nfs/dbraw/zinc/06/66/99/607066699.db2.gz LECKYSHMAGSRFY-UONOGXRCSA-N -1 3 395.488 3.267 20 0 GGADHM C[C@H]1OCCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000820819813 607066701 /nfs/dbraw/zinc/06/67/01/607066701.db2.gz LECKYSHMAGSRFY-UONOGXRCSA-N -1 3 395.488 3.267 20 0 GGADHM CCS[C@H](C)c1noc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000821448215 607068421 /nfs/dbraw/zinc/06/84/21/607068421.db2.gz MJGBRIAXZXLNJQ-GFCCVEGCSA-N -1 3 385.497 3.228 20 0 GGADHM CCS[C@H](C)c1noc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000821448215 607068422 /nfs/dbraw/zinc/06/84/22/607068422.db2.gz MJGBRIAXZXLNJQ-GFCCVEGCSA-N -1 3 385.497 3.228 20 0 GGADHM COCC1(NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CC1 ZINC000821683560 607070519 /nfs/dbraw/zinc/07/05/19/607070519.db2.gz DURJZXOXBSOMOA-UHFFFAOYSA-N -1 3 398.398 3.099 20 0 GGADHM COCC1(NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CC1 ZINC000821683560 607070521 /nfs/dbraw/zinc/07/05/21/607070521.db2.gz DURJZXOXBSOMOA-UHFFFAOYSA-N -1 3 398.398 3.099 20 0 GGADHM O=C(COc1cccc(C(F)(F)F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823043934 607072736 /nfs/dbraw/zinc/07/27/36/607072736.db2.gz LSJBHFMASVHRET-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(COc1cccc(C(F)(F)F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823043934 607072738 /nfs/dbraw/zinc/07/27/38/607072738.db2.gz LSJBHFMASVHRET-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1Br ZINC000823418602 607074920 /nfs/dbraw/zinc/07/49/20/607074920.db2.gz SONBTYQLMCGMLJ-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1Br ZINC000823418602 607074923 /nfs/dbraw/zinc/07/49/23/607074923.db2.gz SONBTYQLMCGMLJ-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM COc1ccc(CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1Cl ZINC000821790228 607075668 /nfs/dbraw/zinc/07/56/68/607075668.db2.gz KDWOCTBZYXOWTI-UHFFFAOYSA-N -1 3 390.802 3.344 20 0 GGADHM COc1ccc(CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1Cl ZINC000821790228 607075670 /nfs/dbraw/zinc/07/56/70/607075670.db2.gz KDWOCTBZYXOWTI-UHFFFAOYSA-N -1 3 390.802 3.344 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822299317 607076933 /nfs/dbraw/zinc/07/69/33/607076933.db2.gz FHRVXUJPGQCOOW-KRWDZBQOSA-N -1 3 380.477 3.026 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822299317 607076934 /nfs/dbraw/zinc/07/69/34/607076934.db2.gz FHRVXUJPGQCOOW-KRWDZBQOSA-N -1 3 380.477 3.026 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820536644 607078716 /nfs/dbraw/zinc/07/87/16/607078716.db2.gz WCATZWNLENCGBU-GFCCVEGCSA-N -1 3 382.395 3.005 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820536644 607078718 /nfs/dbraw/zinc/07/87/18/607078718.db2.gz WCATZWNLENCGBU-GFCCVEGCSA-N -1 3 382.395 3.005 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820536646 607078762 /nfs/dbraw/zinc/07/87/62/607078762.db2.gz WCATZWNLENCGBU-LBPRGKRZSA-N -1 3 382.395 3.005 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820536646 607078763 /nfs/dbraw/zinc/07/87/63/607078763.db2.gz WCATZWNLENCGBU-LBPRGKRZSA-N -1 3 382.395 3.005 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821845179 607079107 /nfs/dbraw/zinc/07/91/07/607079107.db2.gz CKBUJCUPXAZSAL-LLVKDONJSA-N -1 3 388.424 3.238 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821845179 607079109 /nfs/dbraw/zinc/07/91/09/607079109.db2.gz CKBUJCUPXAZSAL-LLVKDONJSA-N -1 3 388.424 3.238 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Br)cs1 ZINC000823413968 607081332 /nfs/dbraw/zinc/08/13/32/607081332.db2.gz PLFAAXAHMMXUHI-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Br)cs1 ZINC000823413968 607081333 /nfs/dbraw/zinc/08/13/33/607081333.db2.gz PLFAAXAHMMXUHI-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823396288 607081683 /nfs/dbraw/zinc/08/16/83/607081683.db2.gz HZUDXZIBDNIPDN-OAHLLOKOSA-N -1 3 394.431 3.029 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823396288 607081685 /nfs/dbraw/zinc/08/16/85/607081685.db2.gz HZUDXZIBDNIPDN-OAHLLOKOSA-N -1 3 394.431 3.029 20 0 GGADHM CCN(CC)[C@@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000821175620 607081986 /nfs/dbraw/zinc/08/19/86/607081986.db2.gz QCGFOHVOFMRTCP-GOSISDBHSA-N -1 3 383.427 3.132 20 0 GGADHM CCN(CC)[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000821175620 607081988 /nfs/dbraw/zinc/08/19/88/607081988.db2.gz QCGFOHVOFMRTCP-GOSISDBHSA-N -1 3 383.427 3.132 20 0 GGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2 ZINC000820481558 607082997 /nfs/dbraw/zinc/08/29/97/607082997.db2.gz XJCKJUSZRZLMNB-GFCCVEGCSA-N -1 3 396.403 3.057 20 0 GGADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC000820481558 607082998 /nfs/dbraw/zinc/08/29/98/607082998.db2.gz XJCKJUSZRZLMNB-GFCCVEGCSA-N -1 3 396.403 3.057 20 0 GGADHM Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000822184256 607089430 /nfs/dbraw/zinc/08/94/30/607089430.db2.gz QHTHVGQFZZLFCE-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000822184256 607089431 /nfs/dbraw/zinc/08/94/31/607089431.db2.gz QHTHVGQFZZLFCE-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc2c1CCCC2=O ZINC000820005690 607090921 /nfs/dbraw/zinc/09/09/21/607090921.db2.gz WFDIQXQBXOJXRY-UHFFFAOYSA-N -1 3 392.415 3.149 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc2c1CCCC2=O ZINC000820005690 607090923 /nfs/dbraw/zinc/09/09/23/607090923.db2.gz WFDIQXQBXOJXRY-UHFFFAOYSA-N -1 3 392.415 3.149 20 0 GGADHM CC1(C)Cc2cc(NC(=O)CSCc3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000820607180 607091526 /nfs/dbraw/zinc/09/15/26/607091526.db2.gz LUESZECPEPNKHB-UHFFFAOYSA-N -1 3 395.488 3.452 20 0 GGADHM CC1(C)Cc2cc(NC(=O)CSCc3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000820607180 607091528 /nfs/dbraw/zinc/09/15/28/607091528.db2.gz LUESZECPEPNKHB-UHFFFAOYSA-N -1 3 395.488 3.452 20 0 GGADHM COc1ccccc1[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1 ZINC000821883357 607093692 /nfs/dbraw/zinc/09/36/92/607093692.db2.gz UFSJSZSUGHSAIM-IBGZPJMESA-N -1 3 389.415 3.160 20 0 GGADHM COc1ccccc1[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1 ZINC000821883357 607093693 /nfs/dbraw/zinc/09/36/93/607093693.db2.gz UFSJSZSUGHSAIM-IBGZPJMESA-N -1 3 389.415 3.160 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC000821762484 607094649 /nfs/dbraw/zinc/09/46/49/607094649.db2.gz MLBPWXPTAYQCQB-UHFFFAOYSA-N -1 3 388.378 3.175 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC000821762484 607094650 /nfs/dbraw/zinc/09/46/50/607094650.db2.gz MLBPWXPTAYQCQB-UHFFFAOYSA-N -1 3 388.378 3.175 20 0 GGADHM Cc1ccn(-c2ccccc2NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822369279 607096110 /nfs/dbraw/zinc/09/61/10/607096110.db2.gz FHKFOOBUGNVQHW-UHFFFAOYSA-N -1 3 388.435 3.025 20 0 GGADHM Cc1ccn(-c2ccccc2NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822369279 607096112 /nfs/dbraw/zinc/09/61/12/607096112.db2.gz FHKFOOBUGNVQHW-UHFFFAOYSA-N -1 3 388.435 3.025 20 0 GGADHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000821619475 607098572 /nfs/dbraw/zinc/09/85/72/607098572.db2.gz YTDAHNHJKVGOBV-UHFFFAOYSA-N -1 3 398.275 3.140 20 0 GGADHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000821619475 607098574 /nfs/dbraw/zinc/09/85/74/607098574.db2.gz YTDAHNHJKVGOBV-UHFFFAOYSA-N -1 3 398.275 3.140 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000821293641 607099567 /nfs/dbraw/zinc/09/95/67/607099567.db2.gz MRRZDOQDPAQNTP-OCCSQVGLSA-N -1 3 384.390 3.319 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823346923 607099616 /nfs/dbraw/zinc/09/96/16/607099616.db2.gz TXRAEZZGMCDJLD-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823346923 607099617 /nfs/dbraw/zinc/09/96/17/607099617.db2.gz TXRAEZZGMCDJLD-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1Br ZINC000821309645 607100094 /nfs/dbraw/zinc/10/00/94/607100094.db2.gz QHGOEFMWWVICJJ-UHFFFAOYSA-N -1 3 393.270 3.375 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(OC)c(F)c1 ZINC000821304179 607100496 /nfs/dbraw/zinc/10/04/96/607100496.db2.gz ALWQPEXGGCSVBZ-UHFFFAOYSA-N -1 3 384.415 3.018 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823346299 607100586 /nfs/dbraw/zinc/10/05/86/607100586.db2.gz LEPAQOKDGJKHKR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823346299 607100588 /nfs/dbraw/zinc/10/05/88/607100588.db2.gz LEPAQOKDGJKHKR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000821304259 607100821 /nfs/dbraw/zinc/10/08/21/607100821.db2.gz COBIFBGRARNLSB-UHFFFAOYSA-N -1 3 379.399 3.100 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000821308560 607100975 /nfs/dbraw/zinc/10/09/75/607100975.db2.gz CUPNDAHAXDGCQJ-UHFFFAOYSA-N -1 3 386.847 3.118 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(OCC)cc1 ZINC000821304240 607101941 /nfs/dbraw/zinc/10/19/41/607101941.db2.gz BZXWTKLCEVSHFS-UHFFFAOYSA-N -1 3 380.452 3.269 20 0 GGADHM Cc1cc(Cl)ncc1NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000822202039 607101938 /nfs/dbraw/zinc/10/19/38/607101938.db2.gz IJMRYSHAARDPQA-INIZCTEOSA-N -1 3 386.843 3.266 20 0 GGADHM Cc1cc(Cl)ncc1NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000822202039 607101940 /nfs/dbraw/zinc/10/19/40/607101940.db2.gz IJMRYSHAARDPQA-INIZCTEOSA-N -1 3 386.843 3.266 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OC(C)C)c1 ZINC000821304293 607102067 /nfs/dbraw/zinc/10/20/67/607102067.db2.gz FKDOFQFOYUBUKJ-UHFFFAOYSA-N -1 3 380.452 3.267 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820957325 607107931 /nfs/dbraw/zinc/10/79/31/607107931.db2.gz NDLMBFILHKENGE-KBRIMQKVSA-N -1 3 386.500 3.163 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820957325 607107933 /nfs/dbraw/zinc/10/79/33/607107933.db2.gz NDLMBFILHKENGE-KBRIMQKVSA-N -1 3 386.500 3.163 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nc(C2CC2)cs1 ZINC000820120390 607109608 /nfs/dbraw/zinc/10/96/08/607109608.db2.gz DRYRFWSRDMNELO-UHFFFAOYSA-N -1 3 397.508 3.321 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nc(C2CC2)cs1 ZINC000820120390 607109610 /nfs/dbraw/zinc/10/96/10/607109610.db2.gz DRYRFWSRDMNELO-UHFFFAOYSA-N -1 3 397.508 3.321 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)c1 ZINC000821798848 607110216 /nfs/dbraw/zinc/11/02/16/607110216.db2.gz QDRBZAWNDKUGBC-UHFFFAOYSA-N -1 3 394.479 3.304 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)c1 ZINC000821798848 607110218 /nfs/dbraw/zinc/11/02/18/607110218.db2.gz QDRBZAWNDKUGBC-UHFFFAOYSA-N -1 3 394.479 3.304 20 0 GGADHM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209332 607114827 /nfs/dbraw/zinc/11/48/27/607114827.db2.gz DCQUWSLLVXCULT-UONOGXRCSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209332 607114829 /nfs/dbraw/zinc/11/48/29/607114829.db2.gz DCQUWSLLVXCULT-UONOGXRCSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822202399 607115155 /nfs/dbraw/zinc/11/51/55/607115155.db2.gz YKIDKVUOAQQIFB-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822202399 607115157 /nfs/dbraw/zinc/11/51/57/607115157.db2.gz YKIDKVUOAQQIFB-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000822500789 607119533 /nfs/dbraw/zinc/11/95/33/607119533.db2.gz HHHPGUQMHSLLLT-AWEZNQCLSA-N -1 3 386.891 3.418 20 0 GGADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000822500789 607119535 /nfs/dbraw/zinc/11/95/35/607119535.db2.gz HHHPGUQMHSLLLT-AWEZNQCLSA-N -1 3 386.891 3.418 20 0 GGADHM Clc1ccc(O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1Cl ZINC000822579212 607119599 /nfs/dbraw/zinc/11/95/99/607119599.db2.gz XVOCIUGKLOZIIN-GFCCVEGCSA-N -1 3 377.235 3.226 20 0 GGADHM Clc1ccc(O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1Cl ZINC000822579212 607119601 /nfs/dbraw/zinc/11/96/01/607119601.db2.gz XVOCIUGKLOZIIN-GFCCVEGCSA-N -1 3 377.235 3.226 20 0 GGADHM S=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823732761 607121908 /nfs/dbraw/zinc/12/19/08/607121908.db2.gz PQOYVSVBSLNMFI-BFYDXBDKSA-N -1 3 396.907 3.392 20 0 GGADHM S=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823732761 607121910 /nfs/dbraw/zinc/12/19/10/607121910.db2.gz PQOYVSVBSLNMFI-BFYDXBDKSA-N -1 3 396.907 3.392 20 0 GGADHM C[C@@H]1CN(CCCOc2ccc(-c3nn[n-]n3)cc2)C[C@H](c2ccsc2)O1 ZINC000820761018 607122879 /nfs/dbraw/zinc/12/28/79/607122879.db2.gz VKXGZLCCHPLJPT-RDTXWAMCSA-N -1 3 385.493 3.159 20 0 GGADHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487546 607131272 /nfs/dbraw/zinc/13/12/72/607131272.db2.gz HWONQTDKGQWVHV-DOMZBBRYSA-N -1 3 389.456 3.020 20 0 GGADHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487546 607131274 /nfs/dbraw/zinc/13/12/74/607131274.db2.gz HWONQTDKGQWVHV-DOMZBBRYSA-N -1 3 389.456 3.020 20 0 GGADHM Fc1cc(-c2noc(COc3ccc(-c4nnn[n-]4)c(F)c3)n2)cc(F)c1F ZINC000822753145 607133288 /nfs/dbraw/zinc/13/32/88/607133288.db2.gz GPSBNMLPBCZZPB-UHFFFAOYSA-N -1 3 392.272 3.052 20 0 GGADHM Fc1cc(-c2noc(COc3ccc(-c4nn[n-]n4)c(F)c3)n2)cc(F)c1F ZINC000822753145 607133290 /nfs/dbraw/zinc/13/32/90/607133290.db2.gz GPSBNMLPBCZZPB-UHFFFAOYSA-N -1 3 392.272 3.052 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OCCF)c1 ZINC000822955240 607133674 /nfs/dbraw/zinc/13/36/74/607133674.db2.gz NAXXGDISTPMNEK-UHFFFAOYSA-N -1 3 399.426 3.403 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OCCF)c1 ZINC000822955240 607133676 /nfs/dbraw/zinc/13/36/76/607133676.db2.gz NAXXGDISTPMNEK-UHFFFAOYSA-N -1 3 399.426 3.403 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820231158 607134148 /nfs/dbraw/zinc/13/41/48/607134148.db2.gz BNHMKOKVTPOSBT-CABCVRRESA-N -1 3 392.463 3.155 20 0 GGADHM Cc1cc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c(C)n1-c1nccs1 ZINC000822167766 607138595 /nfs/dbraw/zinc/13/85/95/607138595.db2.gz IKGMTZRAFBNDGC-UHFFFAOYSA-N -1 3 398.423 3.132 20 0 GGADHM Cc1cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c(C)n1-c1nccs1 ZINC000822167766 607138596 /nfs/dbraw/zinc/13/85/96/607138596.db2.gz IKGMTZRAFBNDGC-UHFFFAOYSA-N -1 3 398.423 3.132 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(F)ccc1OC(F)F ZINC000823237828 607140329 /nfs/dbraw/zinc/14/03/29/607140329.db2.gz CJSKOVYJMFZRKO-UHFFFAOYSA-N -1 3 396.304 3.068 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(F)ccc1OC(F)F ZINC000823237828 607140330 /nfs/dbraw/zinc/14/03/30/607140330.db2.gz CJSKOVYJMFZRKO-UHFFFAOYSA-N -1 3 396.304 3.068 20 0 GGADHM COCCN(C(=O)c1cc(C)c(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689091 607144113 /nfs/dbraw/zinc/14/41/13/607144113.db2.gz KHJKQSMPIBWDHH-UHFFFAOYSA-N -1 3 389.818 3.261 20 0 GGADHM COCCN(C(=O)c1cc(C)c(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689091 607144115 /nfs/dbraw/zinc/14/41/15/607144115.db2.gz KHJKQSMPIBWDHH-UHFFFAOYSA-N -1 3 389.818 3.261 20 0 GGADHM C[C@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820385479 607145309 /nfs/dbraw/zinc/14/53/09/607145309.db2.gz SJUZFOQSBQCTDM-JTQLQIEISA-N -1 3 395.373 3.026 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000821609754 607145569 /nfs/dbraw/zinc/14/55/69/607145569.db2.gz KNCQAZIXMZKUNV-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000821609754 607145570 /nfs/dbraw/zinc/14/55/70/607145570.db2.gz KNCQAZIXMZKUNV-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Br)s1 ZINC000822167710 607152643 /nfs/dbraw/zinc/15/26/43/607152643.db2.gz GKZDGAINLUAVRF-SECBINFHSA-N -1 3 392.282 3.490 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Br)s1 ZINC000822167710 607152645 /nfs/dbraw/zinc/15/26/45/607152645.db2.gz GKZDGAINLUAVRF-SECBINFHSA-N -1 3 392.282 3.490 20 0 GGADHM CCc1cc(C)c(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000821470208 607154670 /nfs/dbraw/zinc/15/46/70/607154670.db2.gz OFXVNXHEPFCKAR-UHFFFAOYSA-N -1 3 381.436 3.014 20 0 GGADHM CCc1cc(C)c(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000821470208 607154671 /nfs/dbraw/zinc/15/46/71/607154671.db2.gz OFXVNXHEPFCKAR-UHFFFAOYSA-N -1 3 381.436 3.014 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)COc1ccccc1 ZINC000820151830 607156558 /nfs/dbraw/zinc/15/65/58/607156558.db2.gz OHNJCMFEEYODMF-AWEZNQCLSA-N -1 3 381.436 3.308 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)COc1ccccc1 ZINC000820151830 607156559 /nfs/dbraw/zinc/15/65/59/607156559.db2.gz OHNJCMFEEYODMF-AWEZNQCLSA-N -1 3 381.436 3.308 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823032528 607165857 /nfs/dbraw/zinc/16/58/57/607165857.db2.gz YCGWGZGAHVRBJT-IBGZPJMESA-N -1 3 391.475 3.259 20 0 GGADHM FC(F)Oc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822737095 607165970 /nfs/dbraw/zinc/16/59/70/607165970.db2.gz PTUINHYJOHWBGI-UHFFFAOYSA-N -1 3 385.334 3.130 20 0 GGADHM FC(F)Oc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822737095 607165971 /nfs/dbraw/zinc/16/59/71/607165971.db2.gz PTUINHYJOHWBGI-UHFFFAOYSA-N -1 3 385.334 3.130 20 0 GGADHM COc1ccccc1[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821882748 607172372 /nfs/dbraw/zinc/17/23/72/607172372.db2.gz JPRDKPIIAFJBLF-SFHVURJKSA-N -1 3 390.403 3.379 20 0 GGADHM COc1ccccc1[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821882748 607172373 /nfs/dbraw/zinc/17/23/73/607172373.db2.gz JPRDKPIIAFJBLF-SFHVURJKSA-N -1 3 390.403 3.379 20 0 GGADHM COc1ccc(-c2noc([C@H](C)Oc3ccc(-c4nnn[n-]4)cc3OC)n2)cc1 ZINC000821765833 607172896 /nfs/dbraw/zinc/17/28/96/607172896.db2.gz LWCFQXJZPUOPDO-NSHDSACASA-N -1 3 394.391 3.074 20 0 GGADHM COc1ccc(-c2noc([C@H](C)Oc3ccc(-c4nn[n-]n4)cc3OC)n2)cc1 ZINC000821765833 607172897 /nfs/dbraw/zinc/17/28/97/607172897.db2.gz LWCFQXJZPUOPDO-NSHDSACASA-N -1 3 394.391 3.074 20 0 GGADHM FC(F)(F)c1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723502 607176463 /nfs/dbraw/zinc/17/64/63/607176463.db2.gz GVGZBHGCVVFKQT-XHDPSFHLSA-N -1 3 385.415 3.352 20 0 GGADHM FC(F)(F)c1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723502 607176464 /nfs/dbraw/zinc/17/64/64/607176464.db2.gz GVGZBHGCVVFKQT-XHDPSFHLSA-N -1 3 385.415 3.352 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000819818072 607177174 /nfs/dbraw/zinc/17/71/74/607177174.db2.gz PUCDUDYXMNCWGK-UHFFFAOYSA-N -1 3 391.218 3.384 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000819818072 607177175 /nfs/dbraw/zinc/17/71/75/607177175.db2.gz PUCDUDYXMNCWGK-UHFFFAOYSA-N -1 3 391.218 3.384 20 0 GGADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000820664818 607190641 /nfs/dbraw/zinc/19/06/41/607190641.db2.gz CKQIHLIOAWHNBJ-YGRLFVJLSA-N -1 3 396.838 3.367 20 0 GGADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820664818 607190642 /nfs/dbraw/zinc/19/06/42/607190642.db2.gz CKQIHLIOAWHNBJ-YGRLFVJLSA-N -1 3 396.838 3.367 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(NC(=O)C2CC2)c1 ZINC000823318980 607191423 /nfs/dbraw/zinc/19/14/23/607191423.db2.gz OAKCDNMWDGLKCP-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(NC(=O)C2CC2)c1 ZINC000823318980 607191424 /nfs/dbraw/zinc/19/14/24/607191424.db2.gz OAKCDNMWDGLKCP-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@H]1CCCC(F)(F)C1 ZINC000823299140 607194530 /nfs/dbraw/zinc/19/45/30/607194530.db2.gz JNSZKYSUTDXZBA-VIFPVBQESA-N -1 3 388.325 3.168 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@H]1CCCC(F)(F)C1 ZINC000823299140 607194531 /nfs/dbraw/zinc/19/45/31/607194531.db2.gz JNSZKYSUTDXZBA-VIFPVBQESA-N -1 3 388.325 3.168 20 0 GGADHM CSC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821961516 607195010 /nfs/dbraw/zinc/19/50/10/607195010.db2.gz JYJGSUDUDKXCJP-JTQLQIEISA-N -1 3 386.403 3.245 20 0 GGADHM CSC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821961516 607195011 /nfs/dbraw/zinc/19/50/11/607195011.db2.gz JYJGSUDUDKXCJP-JTQLQIEISA-N -1 3 386.403 3.245 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)N(C)c1ccccc1 ZINC000820270284 607195380 /nfs/dbraw/zinc/19/53/80/607195380.db2.gz ZHDXJJBICJTHBN-GFCCVEGCSA-N -1 3 385.859 3.167 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)N(C)c1ccccc1 ZINC000820270284 607195381 /nfs/dbraw/zinc/19/53/81/607195381.db2.gz ZHDXJJBICJTHBN-GFCCVEGCSA-N -1 3 385.859 3.167 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2ccccc21 ZINC000820270004 607195632 /nfs/dbraw/zinc/19/56/32/607195632.db2.gz RYIPRMPLWSXMMQ-GFCCVEGCSA-N -1 3 397.870 3.093 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccccc21 ZINC000820270004 607195633 /nfs/dbraw/zinc/19/56/33/607195633.db2.gz RYIPRMPLWSXMMQ-GFCCVEGCSA-N -1 3 397.870 3.093 20 0 GGADHM Cc1cccc(C)c1OCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822299640 607195880 /nfs/dbraw/zinc/19/58/80/607195880.db2.gz PWMNDVXCWWUVKH-UHFFFAOYSA-N -1 3 386.843 3.337 20 0 GGADHM Cc1cccc(C)c1OCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822299640 607195881 /nfs/dbraw/zinc/19/58/81/607195881.db2.gz PWMNDVXCWWUVKH-UHFFFAOYSA-N -1 3 386.843 3.337 20 0 GGADHM Cc1cccc(OCCN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822327222 607195910 /nfs/dbraw/zinc/19/59/10/607195910.db2.gz DHBIHQVBEGUKQI-UHFFFAOYSA-N -1 3 386.843 3.371 20 0 GGADHM Cc1cccc(OCCN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822327222 607195911 /nfs/dbraw/zinc/19/59/11/607195911.db2.gz DHBIHQVBEGUKQI-UHFFFAOYSA-N -1 3 386.843 3.371 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Oc1ccccc1F ZINC000820269505 607198683 /nfs/dbraw/zinc/19/86/83/607198683.db2.gz LVDUGWULBCGWJY-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Oc1ccccc1F ZINC000820269505 607198684 /nfs/dbraw/zinc/19/86/84/607198684.db2.gz LVDUGWULBCGWJY-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM Cc1csc(C(C)(C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822409674 607199386 /nfs/dbraw/zinc/19/93/86/607199386.db2.gz UERLWHZKEXPKKD-UHFFFAOYSA-N -1 3 377.861 3.342 20 0 GGADHM Cc1csc(C(C)(C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822409674 607199387 /nfs/dbraw/zinc/19/93/87/607199387.db2.gz UERLWHZKEXPKKD-UHFFFAOYSA-N -1 3 377.861 3.342 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820235660 607202288 /nfs/dbraw/zinc/20/22/88/607202288.db2.gz UBTYFJWOPZWGKD-MEDUHNTESA-N -1 3 386.843 3.154 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820235660 607202289 /nfs/dbraw/zinc/20/22/89/607202289.db2.gz UBTYFJWOPZWGKD-MEDUHNTESA-N -1 3 386.843 3.154 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC(OC2CCCC2)CC1 ZINC000823313850 607202922 /nfs/dbraw/zinc/20/29/22/607202922.db2.gz KDYVCAXXQDOQHN-UHFFFAOYSA-N -1 3 390.875 3.476 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC(OC2CCCC2)CC1 ZINC000823313850 607202923 /nfs/dbraw/zinc/20/29/23/607202923.db2.gz KDYVCAXXQDOQHN-UHFFFAOYSA-N -1 3 390.875 3.476 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360198 607208762 /nfs/dbraw/zinc/20/87/62/607208762.db2.gz XWSJWFSXGSPQJF-WMLDXEAASA-N -1 3 384.484 3.109 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360198 607208763 /nfs/dbraw/zinc/20/87/63/607208763.db2.gz XWSJWFSXGSPQJF-WMLDXEAASA-N -1 3 384.484 3.109 20 0 GGADHM CCN(C(=O)c1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821161211 607209621 /nfs/dbraw/zinc/20/96/21/607209621.db2.gz WSKXPLTZNLDXHB-LBPRGKRZSA-N -1 3 397.410 3.016 20 0 GGADHM CCN(C(=O)c1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821161211 607209622 /nfs/dbraw/zinc/20/96/22/607209622.db2.gz WSKXPLTZNLDXHB-LBPRGKRZSA-N -1 3 397.410 3.016 20 0 GGADHM COc1ccc([C@@H](O)CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)cc1 ZINC000821782758 607227267 /nfs/dbraw/zinc/22/72/67/607227267.db2.gz MZDXNHFTEZENOL-HNNXBMFYSA-N -1 3 379.342 3.040 20 0 GGADHM COc1ccc([C@@H](O)CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)cc1 ZINC000821782758 607227268 /nfs/dbraw/zinc/22/72/68/607227268.db2.gz MZDXNHFTEZENOL-HNNXBMFYSA-N -1 3 379.342 3.040 20 0 GGADHM CN(Cc1ccc([S@@](C)=O)cc1)c1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821611131 607228061 /nfs/dbraw/zinc/22/80/61/607228061.db2.gz RQJMQJUNHMQPJP-HHHXNRCGSA-N -1 3 395.410 3.259 20 0 GGADHM CN(Cc1ccc([S@@](C)=O)cc1)c1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821611131 607228062 /nfs/dbraw/zinc/22/80/62/607228062.db2.gz RQJMQJUNHMQPJP-HHHXNRCGSA-N -1 3 395.410 3.259 20 0 GGADHM CC[C@H](C)N(OC)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820875733 607230294 /nfs/dbraw/zinc/23/02/94/607230294.db2.gz DNMBIXWUNGAVME-AWEZNQCLSA-N -1 3 381.436 3.248 20 0 GGADHM CC[C@H](C)N(OC)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820875733 607230295 /nfs/dbraw/zinc/23/02/95/607230295.db2.gz DNMBIXWUNGAVME-AWEZNQCLSA-N -1 3 381.436 3.248 20 0 GGADHM O=C(NCC1(c2ccccc2)CCCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823170548 607232140 /nfs/dbraw/zinc/23/21/40/607232140.db2.gz DFXODEJQELAMAD-UHFFFAOYSA-N -1 3 382.855 3.157 20 0 GGADHM O=C(NCC1(c2ccccc2)CCCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823170548 607232141 /nfs/dbraw/zinc/23/21/41/607232141.db2.gz DFXODEJQELAMAD-UHFFFAOYSA-N -1 3 382.855 3.157 20 0 GGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820557368 607232465 /nfs/dbraw/zinc/23/24/65/607232465.db2.gz ZALVZKIACFYLJM-SNVBAGLBSA-N -1 3 382.811 3.495 20 0 GGADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820557368 607232466 /nfs/dbraw/zinc/23/24/66/607232466.db2.gz ZALVZKIACFYLJM-SNVBAGLBSA-N -1 3 382.811 3.495 20 0 GGADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823350181 607233259 /nfs/dbraw/zinc/23/32/59/607233259.db2.gz CCXDAWGRFGHNNA-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823350181 607233260 /nfs/dbraw/zinc/23/32/60/607233260.db2.gz CCXDAWGRFGHNNA-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM CC1(C)CC[C@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000820590765 607233371 /nfs/dbraw/zinc/23/33/71/607233371.db2.gz ZJJHTZBXPRMCMB-HNNXBMFYSA-N -1 3 382.855 3.458 20 0 GGADHM CC1(C)CC[C@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000820590765 607233372 /nfs/dbraw/zinc/23/33/72/607233372.db2.gz ZJJHTZBXPRMCMB-HNNXBMFYSA-N -1 3 382.855 3.458 20 0 GGADHM CC[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000820912978 607235385 /nfs/dbraw/zinc/23/53/85/607235385.db2.gz AYVXZBXNKGPBMQ-SFHVURJKSA-N -1 3 395.463 3.300 20 0 GGADHM CC[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000820912978 607235386 /nfs/dbraw/zinc/23/53/86/607235386.db2.gz AYVXZBXNKGPBMQ-SFHVURJKSA-N -1 3 395.463 3.300 20 0 GGADHM Cc1sc(NC(=O)COc2ccc3c(c2)CCCC3)c(-c2nnn[n-]2)c1C ZINC000822563212 607235733 /nfs/dbraw/zinc/23/57/33/607235733.db2.gz HQGRZSDVQUAWBO-UHFFFAOYSA-N -1 3 383.477 3.441 20 0 GGADHM Cc1sc(NC(=O)COc2ccc3c(c2)CCCC3)c(-c2nn[n-]n2)c1C ZINC000822563212 607235734 /nfs/dbraw/zinc/23/57/34/607235734.db2.gz HQGRZSDVQUAWBO-UHFFFAOYSA-N -1 3 383.477 3.441 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2ccc(OC)c(C)c2)c1-c1nnn[n-]1 ZINC000821465147 607238082 /nfs/dbraw/zinc/23/80/82/607238082.db2.gz CDXBBCPMSIJWSC-UHFFFAOYSA-N -1 3 387.465 3.134 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2ccc(OC)c(C)c2)c1-c1nn[n-]n1 ZINC000821465147 607238083 /nfs/dbraw/zinc/23/80/83/607238083.db2.gz CDXBBCPMSIJWSC-UHFFFAOYSA-N -1 3 387.465 3.134 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)c1ccc(C)s1 ZINC000821698390 607239669 /nfs/dbraw/zinc/23/96/69/607239669.db2.gz HUZOFPXYCMOCMR-UHFFFAOYSA-N -1 3 395.238 3.227 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)c1ccc(C)s1 ZINC000821698390 607239670 /nfs/dbraw/zinc/23/96/70/607239670.db2.gz HUZOFPXYCMOCMR-UHFFFAOYSA-N -1 3 395.238 3.227 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@H]1CC12CCCC2 ZINC000821698382 607239824 /nfs/dbraw/zinc/23/98/24/607239824.db2.gz HIKLNEVNVSWWHB-SNVBAGLBSA-N -1 3 393.241 3.124 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@H]1CC12CCCC2 ZINC000821698382 607239825 /nfs/dbraw/zinc/23/98/25/607239825.db2.gz HIKLNEVNVSWWHB-SNVBAGLBSA-N -1 3 393.241 3.124 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)/C=C1\CC[C@H](C)C1 ZINC000821698751 607239999 /nfs/dbraw/zinc/23/99/99/607239999.db2.gz XFNZTQZYKUABJN-CMWXKVOJSA-N -1 3 393.241 3.290 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)/C=C1\CC[C@H](C)C1 ZINC000821698751 607240000 /nfs/dbraw/zinc/24/00/00/607240000.db2.gz XFNZTQZYKUABJN-CMWXKVOJSA-N -1 3 393.241 3.290 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)ccc1Br ZINC000823078008 607241015 /nfs/dbraw/zinc/24/10/15/607241015.db2.gz DEAUWQQVDJRMPG-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1Br ZINC000823078008 607241016 /nfs/dbraw/zinc/24/10/16/607241016.db2.gz DEAUWQQVDJRMPG-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822239880 607242947 /nfs/dbraw/zinc/24/29/47/607242947.db2.gz IZFJSLHADPVPAR-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822239880 607242948 /nfs/dbraw/zinc/24/29/48/607242948.db2.gz IZFJSLHADPVPAR-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM CC(C)Cn1ncc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cnc21 ZINC000820112277 607243668 /nfs/dbraw/zinc/24/36/68/607243668.db2.gz PKTMRPJUFDDHRW-UHFFFAOYSA-N -1 3 396.842 3.173 20 0 GGADHM CC(C)Cn1ncc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cnc21 ZINC000820112277 607243669 /nfs/dbraw/zinc/24/36/69/607243669.db2.gz PKTMRPJUFDDHRW-UHFFFAOYSA-N -1 3 396.842 3.173 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000823314532 607244128 /nfs/dbraw/zinc/24/41/28/607244128.db2.gz PJAKADPUBNNEEA-BFUOFWGJSA-N -1 3 381.823 3.199 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000823314532 607244129 /nfs/dbraw/zinc/24/41/29/607244129.db2.gz PJAKADPUBNNEEA-BFUOFWGJSA-N -1 3 381.823 3.199 20 0 GGADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823118732 607244610 /nfs/dbraw/zinc/24/46/10/607244610.db2.gz OJISEMRAIHJDMU-UHFFFAOYSA-N -1 3 399.769 3.462 20 0 GGADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823118732 607244611 /nfs/dbraw/zinc/24/46/11/607244611.db2.gz OJISEMRAIHJDMU-UHFFFAOYSA-N -1 3 399.769 3.462 20 0 GGADHM O=C(Nc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1)c1ccco1 ZINC000823450241 607245690 /nfs/dbraw/zinc/24/56/90/607245690.db2.gz LMJMQLZNLXWCBR-UHFFFAOYSA-N -1 3 393.334 3.070 20 0 GGADHM O=C(Nc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1)c1ccco1 ZINC000823450241 607245691 /nfs/dbraw/zinc/24/56/91/607245691.db2.gz LMJMQLZNLXWCBR-UHFFFAOYSA-N -1 3 393.334 3.070 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823031477 607246489 /nfs/dbraw/zinc/24/64/89/607246489.db2.gz BVPICEOTEKLOGI-UHFFFAOYSA-N -1 3 383.166 3.297 20 0 GGADHM O=C(COc1c(Cl)cccc1Cl)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823031477 607246490 /nfs/dbraw/zinc/24/64/90/607246490.db2.gz BVPICEOTEKLOGI-UHFFFAOYSA-N -1 3 383.166 3.297 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Oc2cccnc2)cc1 ZINC000823449771 607249302 /nfs/dbraw/zinc/24/93/02/607249302.db2.gz BVVZSFAHOIUGPM-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Oc2cccnc2)cc1 ZINC000823449771 607249303 /nfs/dbraw/zinc/24/93/03/607249303.db2.gz BVVZSFAHOIUGPM-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000823451722 607249308 /nfs/dbraw/zinc/24/93/08/607249308.db2.gz YXGKFOPXIKZAQD-UHFFFAOYSA-N -1 3 384.758 3.064 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000823451722 607249309 /nfs/dbraw/zinc/24/93/09/607249309.db2.gz YXGKFOPXIKZAQD-UHFFFAOYSA-N -1 3 384.758 3.064 20 0 GGADHM COc1ccc(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821790068 607249594 /nfs/dbraw/zinc/24/95/94/607249594.db2.gz HADCKCKEUONNOZ-UHFFFAOYSA-N -1 3 376.775 3.206 20 0 GGADHM COc1ccc(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821790068 607249595 /nfs/dbraw/zinc/24/95/95/607249595.db2.gz HADCKCKEUONNOZ-UHFFFAOYSA-N -1 3 376.775 3.206 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cc2F)n1 ZINC000822197666 607250531 /nfs/dbraw/zinc/25/05/31/607250531.db2.gz KFJJETLVYQTTIM-UHFFFAOYSA-N -1 3 396.357 3.167 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cc2F)n1 ZINC000822197666 607250532 /nfs/dbraw/zinc/25/05/32/607250532.db2.gz KFJJETLVYQTTIM-UHFFFAOYSA-N -1 3 396.357 3.167 20 0 GGADHM CCOc1cc(Cl)ccc1CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825615823 607773612 /nfs/dbraw/zinc/77/36/12/607773612.db2.gz MFYCICOFYDLBQL-UHFFFAOYSA-N -1 3 393.781 3.127 20 0 GGADHM CCOc1cc(Cl)ccc1CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825615823 607773613 /nfs/dbraw/zinc/77/36/13/607773613.db2.gz MFYCICOFYDLBQL-UHFFFAOYSA-N -1 3 393.781 3.127 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824806836 607779422 /nfs/dbraw/zinc/77/94/22/607779422.db2.gz DEUVTSRURYMWBM-MRXNPFEDSA-N -1 3 382.855 3.359 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824806836 607779423 /nfs/dbraw/zinc/77/94/23/607779423.db2.gz DEUVTSRURYMWBM-MRXNPFEDSA-N -1 3 382.855 3.359 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc2[nH]cnc2c1 ZINC000826459697 607781310 /nfs/dbraw/zinc/78/13/10/607781310.db2.gz VIBCPRRNZPPCNI-UHFFFAOYSA-N -1 3 388.416 3.119 20 0 GGADHM CCOCCC1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000825590394 607784062 /nfs/dbraw/zinc/78/40/62/607784062.db2.gz SJHOVAMHWVTECE-UHFFFAOYSA-N -1 3 380.905 3.013 20 0 GGADHM CCOCCC1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000825590394 607784063 /nfs/dbraw/zinc/78/40/63/607784063.db2.gz SJHOVAMHWVTECE-UHFFFAOYSA-N -1 3 380.905 3.013 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000825074017 607785343 /nfs/dbraw/zinc/78/53/43/607785343.db2.gz CLGFLMAFEVTALM-LLVKDONJSA-N -1 3 383.477 3.447 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000825074017 607785344 /nfs/dbraw/zinc/78/53/44/607785344.db2.gz CLGFLMAFEVTALM-LLVKDONJSA-N -1 3 383.477 3.447 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824755304 607788738 /nfs/dbraw/zinc/78/87/38/607788738.db2.gz KYWSRVJGKBEATD-LLVKDONJSA-N -1 3 391.353 3.316 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824755304 607788739 /nfs/dbraw/zinc/78/87/39/607788739.db2.gz KYWSRVJGKBEATD-LLVKDONJSA-N -1 3 391.353 3.316 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812593 607788963 /nfs/dbraw/zinc/78/89/63/607788963.db2.gz NZGGSSSAQNNTFS-GJZGRUSLSA-N -1 3 398.264 3.396 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812593 607788964 /nfs/dbraw/zinc/78/89/64/607788964.db2.gz NZGGSSSAQNNTFS-GJZGRUSLSA-N -1 3 398.264 3.396 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(CC1CCCCC1)c1ccccn1 ZINC000826418215 607791723 /nfs/dbraw/zinc/79/17/23/607791723.db2.gz VSZVNQTWRKRUIH-UHFFFAOYSA-N -1 3 392.463 3.254 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(CC1CCCCC1)c1ccccn1 ZINC000826418215 607791724 /nfs/dbraw/zinc/79/17/24/607791724.db2.gz VSZVNQTWRKRUIH-UHFFFAOYSA-N -1 3 392.463 3.254 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825654129 607793855 /nfs/dbraw/zinc/79/38/55/607793855.db2.gz PBFWGWBVIMAXIC-UHFFFAOYSA-N -1 3 387.390 3.016 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825654129 607793856 /nfs/dbraw/zinc/79/38/56/607793856.db2.gz PBFWGWBVIMAXIC-UHFFFAOYSA-N -1 3 387.390 3.016 20 0 GGADHM CCN(C(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377051 607796667 /nfs/dbraw/zinc/79/66/67/607796667.db2.gz SDSGOEQKCVGLHT-UHFFFAOYSA-N -1 3 380.433 3.179 20 0 GGADHM CCN(C(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377051 607796668 /nfs/dbraw/zinc/79/66/68/607796668.db2.gz SDSGOEQKCVGLHT-UHFFFAOYSA-N -1 3 380.433 3.179 20 0 GGADHM CCN(C(=O)CCCOc1cccc(C(C)=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372291 607798219 /nfs/dbraw/zinc/79/82/19/607798219.db2.gz UXDBKQAKMGKMDJ-UHFFFAOYSA-N -1 3 393.447 3.281 20 0 GGADHM CCN(C(=O)CCCOc1cccc(C(C)=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372291 607798220 /nfs/dbraw/zinc/79/82/20/607798220.db2.gz UXDBKQAKMGKMDJ-UHFFFAOYSA-N -1 3 393.447 3.281 20 0 GGADHM CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363196 607798962 /nfs/dbraw/zinc/79/89/62/607798962.db2.gz VLEKNJDVZLFYDZ-CYBMUJFWSA-N -1 3 383.477 3.409 20 0 GGADHM CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363196 607798963 /nfs/dbraw/zinc/79/89/63/607798963.db2.gz VLEKNJDVZLFYDZ-CYBMUJFWSA-N -1 3 383.477 3.409 20 0 GGADHM CCN(C(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371770 607799001 /nfs/dbraw/zinc/79/90/01/607799001.db2.gz KZKBZAZASMBZGH-UHFFFAOYSA-N -1 3 389.818 3.481 20 0 GGADHM CCN(C(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371770 607799002 /nfs/dbraw/zinc/79/90/02/607799002.db2.gz KZKBZAZASMBZGH-UHFFFAOYSA-N -1 3 389.818 3.481 20 0 GGADHM CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386162 607799406 /nfs/dbraw/zinc/79/94/06/607799406.db2.gz ZOUFKQQFAKFEKD-SCLBCKFNSA-N -1 3 390.447 3.128 20 0 GGADHM CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386162 607799407 /nfs/dbraw/zinc/79/94/07/607799407.db2.gz ZOUFKQQFAKFEKD-SCLBCKFNSA-N -1 3 390.447 3.128 20 0 GGADHM CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386161 607799479 /nfs/dbraw/zinc/79/94/79/607799479.db2.gz ZOUFKQQFAKFEKD-FZKQIMNGSA-N -1 3 390.447 3.128 20 0 GGADHM CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386161 607799480 /nfs/dbraw/zinc/79/94/80/607799480.db2.gz ZOUFKQQFAKFEKD-FZKQIMNGSA-N -1 3 390.447 3.128 20 0 GGADHM CCN(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385962 607800205 /nfs/dbraw/zinc/80/02/05/607800205.db2.gz WQYITVNNYIATRS-UHFFFAOYSA-N -1 3 383.362 3.347 20 0 GGADHM CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386126 607800316 /nfs/dbraw/zinc/80/03/16/607800316.db2.gz YIWJWVBCVLBTBB-UHFFFAOYSA-N -1 3 375.436 3.119 20 0 GGADHM CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386126 607800317 /nfs/dbraw/zinc/80/03/17/607800317.db2.gz YIWJWVBCVLBTBB-UHFFFAOYSA-N -1 3 375.436 3.119 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826451949 607803488 /nfs/dbraw/zinc/80/34/88/607803488.db2.gz CEQAJAMFSWLBSO-RDTXWAMCSA-N -1 3 378.436 3.156 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826451949 607803489 /nfs/dbraw/zinc/80/34/89/607803489.db2.gz CEQAJAMFSWLBSO-RDTXWAMCSA-N -1 3 378.436 3.156 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824009589 607804369 /nfs/dbraw/zinc/80/43/69/607804369.db2.gz AVBLMVXCGWLOJG-UHFFFAOYSA-N -1 3 380.452 3.101 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824009589 607804370 /nfs/dbraw/zinc/80/43/70/607804370.db2.gz AVBLMVXCGWLOJG-UHFFFAOYSA-N -1 3 380.452 3.101 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000825653584 607805679 /nfs/dbraw/zinc/80/56/79/607805679.db2.gz FPGLKCPCJJAILP-UHFFFAOYSA-N -1 3 392.337 3.240 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000825653584 607805680 /nfs/dbraw/zinc/80/56/80/607805680.db2.gz FPGLKCPCJJAILP-UHFFFAOYSA-N -1 3 392.337 3.240 20 0 GGADHM CC(C)[C@H]1CC[C@H](C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000824342573 607806285 /nfs/dbraw/zinc/80/62/85/607806285.db2.gz QAJSXPZOKFRQMA-QAQDUYKDSA-N -1 3 396.539 3.414 20 0 GGADHM CC(C)[C@H]1CC[C@H](C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000824342573 607806286 /nfs/dbraw/zinc/80/62/86/607806286.db2.gz QAJSXPZOKFRQMA-QAQDUYKDSA-N -1 3 396.539 3.414 20 0 GGADHM CC1(CC(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCCC1 ZINC000824818156 607806508 /nfs/dbraw/zinc/80/65/08/607806508.db2.gz SDAUBSPJJWGAHI-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM CC1(CC(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCCCC1 ZINC000824818156 607806509 /nfs/dbraw/zinc/80/65/09/607806509.db2.gz SDAUBSPJJWGAHI-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM Cc1cc(N(C)CCc2nccs2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826268501 607810860 /nfs/dbraw/zinc/81/08/60/607810860.db2.gz ADEXBOFWSMZPIM-UHFFFAOYSA-N -1 3 390.476 3.111 20 0 GGADHM Cc1cc(N(C)CCc2nccs2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826268501 607810861 /nfs/dbraw/zinc/81/08/61/607810861.db2.gz ADEXBOFWSMZPIM-UHFFFAOYSA-N -1 3 390.476 3.111 20 0 GGADHM Cc1cc(C)cc(OCc2noc(CSc3ccc(-c4nnn[n-]4)cn3)n2)c1 ZINC000826264956 607817190 /nfs/dbraw/zinc/81/71/90/607817190.db2.gz HNBRWPNKESBEAT-UHFFFAOYSA-N -1 3 395.448 3.133 20 0 GGADHM Cc1cc(C)cc(OCc2noc(CSc3ccc(-c4nn[n-]n4)cn3)n2)c1 ZINC000826264956 607817191 /nfs/dbraw/zinc/81/71/91/607817191.db2.gz HNBRWPNKESBEAT-UHFFFAOYSA-N -1 3 395.448 3.133 20 0 GGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826337925 607818079 /nfs/dbraw/zinc/81/80/79/607818079.db2.gz FUCXVTLHGQWVEE-MRVPVSSYSA-N -1 3 392.366 3.205 20 0 GGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826337925 607818080 /nfs/dbraw/zinc/81/80/80/607818080.db2.gz FUCXVTLHGQWVEE-MRVPVSSYSA-N -1 3 392.366 3.205 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826506534 607821054 /nfs/dbraw/zinc/82/10/54/607821054.db2.gz WLQRIYIBYCUWIA-IUODEOHRSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826506534 607821055 /nfs/dbraw/zinc/82/10/55/607821055.db2.gz WLQRIYIBYCUWIA-IUODEOHRSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826506088 607821135 /nfs/dbraw/zinc/82/11/35/607821135.db2.gz MHLIUAVRDFHFLV-CJNGLKHVSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826506088 607821136 /nfs/dbraw/zinc/82/11/36/607821136.db2.gz MHLIUAVRDFHFLV-CJNGLKHVSA-N -1 3 393.344 3.337 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000826473925 607823902 /nfs/dbraw/zinc/82/39/02/607823902.db2.gz UDKWTNUAJPOHMZ-CQSZACIVSA-N -1 3 397.866 3.451 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000826473925 607823903 /nfs/dbraw/zinc/82/39/03/607823903.db2.gz UDKWTNUAJPOHMZ-CQSZACIVSA-N -1 3 397.866 3.451 20 0 GGADHM CC1(C)C[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824789304 607825265 /nfs/dbraw/zinc/82/52/65/607825265.db2.gz GQNFMWAUJFUGGA-GOSISDBHSA-N -1 3 392.463 3.298 20 0 GGADHM CC(C)(CCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824152533 607827111 /nfs/dbraw/zinc/82/71/11/607827111.db2.gz GQGBKQGQPBIQJK-UHFFFAOYSA-N -1 3 393.447 3.106 20 0 GGADHM CC(C)(CCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824152533 607827112 /nfs/dbraw/zinc/82/71/12/607827112.db2.gz GQGBKQGQPBIQJK-UHFFFAOYSA-N -1 3 393.447 3.106 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000826183891 607827330 /nfs/dbraw/zinc/82/73/30/607827330.db2.gz DOTGMRFKHQUEFD-SFHVURJKSA-N -1 3 396.447 3.475 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000826183891 607827331 /nfs/dbraw/zinc/82/73/31/607827331.db2.gz DOTGMRFKHQUEFD-SFHVURJKSA-N -1 3 396.447 3.475 20 0 GGADHM COc1ccc(COC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826204279 607827481 /nfs/dbraw/zinc/82/74/81/607827481.db2.gz FGOHNAJASWRRIM-GOSISDBHSA-N -1 3 396.447 3.475 20 0 GGADHM COc1ccc(COC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826204279 607827482 /nfs/dbraw/zinc/82/74/82/607827482.db2.gz FGOHNAJASWRRIM-GOSISDBHSA-N -1 3 396.447 3.475 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCS1 ZINC000824222972 607834539 /nfs/dbraw/zinc/83/45/39/607834539.db2.gz DOKVRHIQLNXDHH-GFCCVEGCSA-N -1 3 386.308 3.387 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCS1 ZINC000824222972 607834540 /nfs/dbraw/zinc/83/45/40/607834540.db2.gz DOKVRHIQLNXDHH-GFCCVEGCSA-N -1 3 386.308 3.387 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2ccccn2)CC1 ZINC000825620818 607834934 /nfs/dbraw/zinc/83/49/34/607834934.db2.gz IZPKXKDSXLSWFI-UHFFFAOYSA-N -1 3 393.451 3.072 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2ccccn2)CC1 ZINC000825620818 607834935 /nfs/dbraw/zinc/83/49/35/607834935.db2.gz IZPKXKDSXLSWFI-UHFFFAOYSA-N -1 3 393.451 3.072 20 0 GGADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(Cl)cc1O ZINC000826340550 607836235 /nfs/dbraw/zinc/83/62/35/607836235.db2.gz CFTZTTWJANBLGB-UHFFFAOYSA-N -1 3 384.783 3.170 20 0 GGADHM c1cc([C@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)cc2c1OCO2 ZINC000826518533 607841906 /nfs/dbraw/zinc/84/19/06/607841906.db2.gz QRWYCFSAUJYBQK-QGZVFWFLSA-N -1 3 386.415 3.485 20 0 GGADHM c1cc([C@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)cc2c1OCO2 ZINC000826518533 607841907 /nfs/dbraw/zinc/84/19/07/607841907.db2.gz QRWYCFSAUJYBQK-QGZVFWFLSA-N -1 3 386.415 3.485 20 0 GGADHM Cc1ccc(OC[C@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826292076 607843041 /nfs/dbraw/zinc/84/30/41/607843041.db2.gz HABBMTSHEAMYBM-ZDUSSCGKSA-N -1 3 376.869 3.361 20 0 GGADHM Cc1ccc(OC[C@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826292076 607843042 /nfs/dbraw/zinc/84/30/42/607843042.db2.gz HABBMTSHEAMYBM-ZDUSSCGKSA-N -1 3 376.869 3.361 20 0 GGADHM C[C@@H](c1ccccc1)n1cnn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1=S ZINC000824770288 607846729 /nfs/dbraw/zinc/84/67/29/607846729.db2.gz IBVJRBKPDRHZGR-AWEZNQCLSA-N -1 3 392.492 3.297 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000826368321 607849739 /nfs/dbraw/zinc/84/97/39/607849739.db2.gz LPIZCHSDUKXXBQ-OASPWFOLSA-N -1 3 380.374 3.040 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000826368321 607849740 /nfs/dbraw/zinc/84/97/40/607849740.db2.gz LPIZCHSDUKXXBQ-OASPWFOLSA-N -1 3 380.374 3.040 20 0 GGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)[C@H]1COc2ccccc21 ZINC000824647698 607850221 /nfs/dbraw/zinc/85/02/21/607850221.db2.gz BRTHLVZGGXHYIQ-ZWNOBZJWSA-N -1 3 394.385 3.092 20 0 GGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)[C@H]1COc2ccccc21 ZINC000824647698 607850222 /nfs/dbraw/zinc/85/02/22/607850222.db2.gz BRTHLVZGGXHYIQ-ZWNOBZJWSA-N -1 3 394.385 3.092 20 0 GGADHM CCN(C(=O)c1cccc(OC(C)C)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385733 607861170 /nfs/dbraw/zinc/86/11/70/607861170.db2.gz RYDXUZDEVFJGSR-CQSZACIVSA-N -1 3 380.452 3.272 20 0 GGADHM CCN(C(=O)c1cccc(OC(C)C)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385733 607861171 /nfs/dbraw/zinc/86/11/71/607861171.db2.gz RYDXUZDEVFJGSR-CQSZACIVSA-N -1 3 380.452 3.272 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Oc1cc(Br)ccc1Cl ZINC000826422090 607865770 /nfs/dbraw/zinc/86/57/70/607865770.db2.gz MCBIZFQRPABNEH-UHFFFAOYSA-N -1 3 393.628 3.431 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Oc1cc(Br)ccc1Cl ZINC000826422090 607865771 /nfs/dbraw/zinc/86/57/71/607865771.db2.gz MCBIZFQRPABNEH-UHFFFAOYSA-N -1 3 393.628 3.431 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccc(F)cc1F ZINC000825610195 607872281 /nfs/dbraw/zinc/87/22/81/607872281.db2.gz YRAOWFGRBHSMQD-AWEZNQCLSA-N -1 3 396.781 3.309 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccc(F)cc1F ZINC000825610195 607872282 /nfs/dbraw/zinc/87/22/82/607872282.db2.gz YRAOWFGRBHSMQD-AWEZNQCLSA-N -1 3 396.781 3.309 20 0 GGADHM O[C@@H](COc1ccc(C2SCCS2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505362 607872353 /nfs/dbraw/zinc/87/23/53/607872353.db2.gz TYSNPNJHZMNWAR-INIZCTEOSA-N -1 3 386.502 3.458 20 0 GGADHM O[C@@H](COc1ccc(C2SCCS2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505362 607872354 /nfs/dbraw/zinc/87/23/54/607872354.db2.gz TYSNPNJHZMNWAR-INIZCTEOSA-N -1 3 386.502 3.458 20 0 GGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)cc1 ZINC000826503641 607873068 /nfs/dbraw/zinc/87/30/68/607873068.db2.gz BTGMVHPYITYYMA-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)cc1 ZINC000826503641 607873069 /nfs/dbraw/zinc/87/30/69/607873069.db2.gz BTGMVHPYITYYMA-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)COCc1ccc(Cl)cc1 ZINC000826243078 607874033 /nfs/dbraw/zinc/87/40/33/607874033.db2.gz SPIYMTOQIPMQKN-QGZVFWFLSA-N -1 3 388.855 3.093 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826505174 607874530 /nfs/dbraw/zinc/87/45/30/607874530.db2.gz ONYWAWDMEMODNC-ZDUSSCGKSA-N -1 3 397.179 3.020 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826505174 607874531 /nfs/dbraw/zinc/87/45/31/607874531.db2.gz ONYWAWDMEMODNC-ZDUSSCGKSA-N -1 3 397.179 3.020 20 0 GGADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1F)COc1cc(Cl)ccc1Cl ZINC000826503776 607875188 /nfs/dbraw/zinc/87/51/88/607875188.db2.gz GBDBAWUBICXWCB-LLVKDONJSA-N -1 3 399.209 3.131 20 0 GGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1F)COc1cc(Cl)ccc1Cl ZINC000826503776 607875189 /nfs/dbraw/zinc/87/51/89/607875189.db2.gz GBDBAWUBICXWCB-LLVKDONJSA-N -1 3 399.209 3.131 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000826255158 607876570 /nfs/dbraw/zinc/87/65/70/607876570.db2.gz NWODJQQKGNOKPF-AWEZNQCLSA-N -1 3 378.354 3.176 20 0 GGADHM C/C=C/c1ccc(OC[C@H](O)COc2cc(-c3nnn[n-]3)ccc2C)c(OC)c1 ZINC000825028372 607876978 /nfs/dbraw/zinc/87/69/78/607876978.db2.gz HIGVBXVDFZBEQU-BDUNBXCCSA-N -1 3 396.447 3.036 20 0 GGADHM C/C=C/c1ccc(OC[C@H](O)COc2cc(-c3nn[n-]n3)ccc2C)c(OC)c1 ZINC000825028372 607876979 /nfs/dbraw/zinc/87/69/79/607876979.db2.gz HIGVBXVDFZBEQU-BDUNBXCCSA-N -1 3 396.447 3.036 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)c1cccc(Br)c1 ZINC000826278690 607877369 /nfs/dbraw/zinc/87/73/69/607877369.db2.gz OLSLLIBJCVGPJW-CQSZACIVSA-N -1 3 375.226 3.050 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)c1cccc(Br)c1 ZINC000826278690 607877370 /nfs/dbraw/zinc/87/73/70/607877370.db2.gz OLSLLIBJCVGPJW-CQSZACIVSA-N -1 3 375.226 3.050 20 0 GGADHM CCN(C(=O)c1cc(OC)ccc1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379500 607878989 /nfs/dbraw/zinc/87/89/89/607878989.db2.gz GDYVFLFPCRYUND-UHFFFAOYSA-N -1 3 387.827 3.204 20 0 GGADHM CCN(C(=O)c1cc(OC)ccc1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379500 607878990 /nfs/dbraw/zinc/87/89/90/607878990.db2.gz GDYVFLFPCRYUND-UHFFFAOYSA-N -1 3 387.827 3.204 20 0 GGADHM CN(CCc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)OC(C)(C)C ZINC000825950035 607880005 /nfs/dbraw/zinc/88/00/05/607880005.db2.gz HXHUOCZLJFZSSN-UHFFFAOYSA-N -1 3 386.481 3.400 20 0 GGADHM CN(CCc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)OC(C)(C)C ZINC000825950035 607880006 /nfs/dbraw/zinc/88/00/06/607880006.db2.gz HXHUOCZLJFZSSN-UHFFFAOYSA-N -1 3 386.481 3.400 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826158102 607881950 /nfs/dbraw/zinc/88/19/50/607881950.db2.gz ABYDXFNAHYZOFV-YSIASYRMSA-N -1 3 397.523 3.448 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826158102 607881951 /nfs/dbraw/zinc/88/19/51/607881951.db2.gz ABYDXFNAHYZOFV-YSIASYRMSA-N -1 3 397.523 3.448 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000824293461 607888515 /nfs/dbraw/zinc/88/85/15/607888515.db2.gz MPBUMSOEEQXUOK-MRXNPFEDSA-N -1 3 398.492 3.226 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000824293461 607888516 /nfs/dbraw/zinc/88/85/16/607888516.db2.gz MPBUMSOEEQXUOK-MRXNPFEDSA-N -1 3 398.492 3.226 20 0 GGADHM C/C=C\c1ccc(OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)c(OC)c1 ZINC000825029541 607890038 /nfs/dbraw/zinc/89/00/38/607890038.db2.gz VTFLMKNXMCQGCT-XQRVVYSFSA-N -1 3 380.404 3.274 20 0 GGADHM C/C=C\c1ccc(OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)c(OC)c1 ZINC000825029541 607890039 /nfs/dbraw/zinc/89/00/39/607890039.db2.gz VTFLMKNXMCQGCT-XQRVVYSFSA-N -1 3 380.404 3.274 20 0 GGADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc([S@](C)=O)cc1 ZINC000824650913 607902831 /nfs/dbraw/zinc/90/28/31/607902831.db2.gz WANGODPVOXFEAM-JWNZJDHWSA-N -1 3 378.461 3.325 20 0 GGADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc([S@](C)=O)cc1 ZINC000824650913 607902832 /nfs/dbraw/zinc/90/28/32/607902832.db2.gz WANGODPVOXFEAM-JWNZJDHWSA-N -1 3 378.461 3.325 20 0 GGADHM Cc1nc2ccccc2n1C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826329186 607904068 /nfs/dbraw/zinc/90/40/68/607904068.db2.gz SPJUHPCWZFTSLN-CQSZACIVSA-N -1 3 394.870 3.242 20 0 GGADHM Cc1nc2ccccc2n1C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826329186 607904069 /nfs/dbraw/zinc/90/40/69/607904069.db2.gz SPJUHPCWZFTSLN-CQSZACIVSA-N -1 3 394.870 3.242 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3cnc(C4CC4)nc3)c2c1 ZINC000826372820 607904298 /nfs/dbraw/zinc/90/42/98/607904298.db2.gz MYGMGNJZTZKYTK-UHFFFAOYSA-N -1 3 394.389 3.015 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3cnc(C4CC4)nc3)c2c1 ZINC000826372820 607904299 /nfs/dbraw/zinc/90/42/99/607904299.db2.gz MYGMGNJZTZKYTK-UHFFFAOYSA-N -1 3 394.389 3.015 20 0 GGADHM CCC[C@H](C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1ccccc1 ZINC000825225069 607914272 /nfs/dbraw/zinc/91/42/72/607914272.db2.gz KMIOXMSIMGCCSJ-INIZCTEOSA-N -1 3 394.431 3.280 20 0 GGADHM CCC[C@H](C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1)c1ccccc1 ZINC000825225069 607914273 /nfs/dbraw/zinc/91/42/73/607914273.db2.gz KMIOXMSIMGCCSJ-INIZCTEOSA-N -1 3 394.431 3.280 20 0 GGADHM CCc1ccc([C@H](C)C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000825705208 607914344 /nfs/dbraw/zinc/91/43/44/607914344.db2.gz YUCCBMUJVKPVOD-ZDUSSCGKSA-N -1 3 394.431 3.063 20 0 GGADHM CCc1ccc([C@H](C)C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000825705208 607914345 /nfs/dbraw/zinc/91/43/45/607914345.db2.gz YUCCBMUJVKPVOD-ZDUSSCGKSA-N -1 3 394.431 3.063 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000824804044 607916630 /nfs/dbraw/zinc/91/66/30/607916630.db2.gz ZEEBUUKCCVPZNI-LLVKDONJSA-N -1 3 391.859 3.218 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000824804044 607916631 /nfs/dbraw/zinc/91/66/31/607916631.db2.gz ZEEBUUKCCVPZNI-LLVKDONJSA-N -1 3 391.859 3.218 20 0 GGADHM CC1(C)CCC[C@@H](CC(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000824804027 607919694 /nfs/dbraw/zinc/91/96/94/607919694.db2.gz YYUFEJQMJWVASO-NSHDSACASA-N -1 3 377.470 3.016 20 0 GGADHM CC1(C)CCC[C@@H](CC(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000824804027 607919695 /nfs/dbraw/zinc/91/96/95/607919695.db2.gz YYUFEJQMJWVASO-NSHDSACASA-N -1 3 377.470 3.016 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Br)n1 ZINC000826282470 607921945 /nfs/dbraw/zinc/92/19/45/607921945.db2.gz PUWOQTRMYJBBTG-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Br)n1 ZINC000826282470 607921946 /nfs/dbraw/zinc/92/19/46/607921946.db2.gz PUWOQTRMYJBBTG-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000824457859 607924801 /nfs/dbraw/zinc/92/48/01/607924801.db2.gz SXQJHMAXCHLCHV-SNVBAGLBSA-N -1 3 378.841 3.135 20 0 GGADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000824457859 607924802 /nfs/dbraw/zinc/92/48/02/607924802.db2.gz SXQJHMAXCHLCHV-SNVBAGLBSA-N -1 3 378.841 3.135 20 0 GGADHM CCc1c(C)sc(NC(=O)c2csc([C@H]3CCCO3)n2)c1-c1nnn[n-]1 ZINC000825687567 607926499 /nfs/dbraw/zinc/92/64/99/607926499.db2.gz JHBGTMHHUDHQKE-LLVKDONJSA-N -1 3 390.494 3.359 20 0 GGADHM CCc1c(C)sc(NC(=O)c2csc([C@H]3CCCO3)n2)c1-c1nn[n-]n1 ZINC000825687567 607926500 /nfs/dbraw/zinc/92/65/00/607926500.db2.gz JHBGTMHHUDHQKE-LLVKDONJSA-N -1 3 390.494 3.359 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(Br)n1 ZINC000826282568 607927253 /nfs/dbraw/zinc/92/72/53/607927253.db2.gz UTWKFDISFHZRIX-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(Br)n1 ZINC000826282568 607927254 /nfs/dbraw/zinc/92/72/54/607927254.db2.gz UTWKFDISFHZRIX-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM C[C@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521842 607931356 /nfs/dbraw/zinc/93/13/56/607931356.db2.gz NLVYIESNYUGOSA-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521842 607931357 /nfs/dbraw/zinc/93/13/57/607931357.db2.gz NLVYIESNYUGOSA-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521840 607931434 /nfs/dbraw/zinc/93/14/34/607931434.db2.gz NLVYIESNYUGOSA-GFCCVEGCSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521840 607931435 /nfs/dbraw/zinc/93/14/35/607931435.db2.gz NLVYIESNYUGOSA-GFCCVEGCSA-N -1 3 393.838 3.197 20 0 GGADHM CCc1c(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cnn1CC(C)C ZINC000825694568 607931833 /nfs/dbraw/zinc/93/18/33/607931833.db2.gz UPNDSWNKDWOZCR-UHFFFAOYSA-N -1 3 399.503 3.482 20 0 GGADHM CCc1c(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cnn1CC(C)C ZINC000825694568 607931834 /nfs/dbraw/zinc/93/18/34/607931834.db2.gz UPNDSWNKDWOZCR-UHFFFAOYSA-N -1 3 399.503 3.482 20 0 GGADHM CC[C@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825210834 607934924 /nfs/dbraw/zinc/93/49/24/607934924.db2.gz JQBFGWWQZYTGRX-SWLSCSKDSA-N -1 3 390.463 3.135 20 0 GGADHM CC[C@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825210834 607934925 /nfs/dbraw/zinc/93/49/25/607934925.db2.gz JQBFGWWQZYTGRX-SWLSCSKDSA-N -1 3 390.463 3.135 20 0 GGADHM O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826507335 607937018 /nfs/dbraw/zinc/93/70/18/607937018.db2.gz MTBQNWRXNKHATQ-XJKSGUPXSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000826507335 607937019 /nfs/dbraw/zinc/93/70/19/607937019.db2.gz MTBQNWRXNKHATQ-XJKSGUPXSA-N -1 3 393.344 3.337 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826465792 607945661 /nfs/dbraw/zinc/94/56/61/607945661.db2.gz CHTOCDWUZJHRLW-UHFFFAOYSA-N -1 3 380.795 3.063 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826465792 607945662 /nfs/dbraw/zinc/94/56/62/607945662.db2.gz CHTOCDWUZJHRLW-UHFFFAOYSA-N -1 3 380.795 3.063 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826284650 607947193 /nfs/dbraw/zinc/94/71/93/607947193.db2.gz ACFLANUIRRZSKV-RBUKOAKNSA-N -1 3 394.431 3.017 20 0 GGADHM Cc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1Br ZINC000826295930 607948114 /nfs/dbraw/zinc/94/81/14/607948114.db2.gz DNGMYNBDQNUPBE-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM Cc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1Br ZINC000826295930 607948115 /nfs/dbraw/zinc/94/81/15/607948115.db2.gz DNGMYNBDQNUPBE-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccn1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470204 607951062 /nfs/dbraw/zinc/95/10/62/607951062.db2.gz HQGPLLAVBDZFOI-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccn1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470204 607951063 /nfs/dbraw/zinc/95/10/63/607951063.db2.gz HQGPLLAVBDZFOI-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826219463 607952686 /nfs/dbraw/zinc/95/26/86/607952686.db2.gz CSDIXZBWYAPRCW-UHFFFAOYSA-N -1 3 377.448 3.033 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826219463 607952687 /nfs/dbraw/zinc/95/26/87/607952687.db2.gz CSDIXZBWYAPRCW-UHFFFAOYSA-N -1 3 377.448 3.033 20 0 GGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824177776 607953282 /nfs/dbraw/zinc/95/32/82/607953282.db2.gz KIQIOGCJFMBGCY-UHFFFAOYSA-N -1 3 383.839 3.267 20 0 GGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824177776 607953283 /nfs/dbraw/zinc/95/32/83/607953283.db2.gz KIQIOGCJFMBGCY-UHFFFAOYSA-N -1 3 383.839 3.267 20 0 GGADHM O=C(c1ccc(Oc2cccnc2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474019 607955182 /nfs/dbraw/zinc/95/51/82/607955182.db2.gz XOEKFYJDEJYTBQ-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM O=C(c1ccc(Oc2cccnc2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474019 607955183 /nfs/dbraw/zinc/95/51/83/607955183.db2.gz XOEKFYJDEJYTBQ-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826418267 607955319 /nfs/dbraw/zinc/95/53/19/607955319.db2.gz YJZQJQSSMKPIDO-UHFFFAOYSA-N -1 3 390.230 3.142 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826418267 607955320 /nfs/dbraw/zinc/95/53/20/607955320.db2.gz YJZQJQSSMKPIDO-UHFFFAOYSA-N -1 3 390.230 3.142 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1 ZINC000826255414 607955685 /nfs/dbraw/zinc/95/56/85/607955685.db2.gz XLPLBKGVBCGBEI-CYBMUJFWSA-N -1 3 389.419 3.182 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1 ZINC000826255414 607955686 /nfs/dbraw/zinc/95/56/86/607955686.db2.gz XLPLBKGVBCGBEI-CYBMUJFWSA-N -1 3 389.419 3.182 20 0 GGADHM C[C@@H](OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000824730035 607959261 /nfs/dbraw/zinc/95/92/61/607959261.db2.gz MHNMXNYQFQHRQM-CYBMUJFWSA-N -1 3 391.387 3.352 20 0 GGADHM C[C@@H](OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000824730035 607959262 /nfs/dbraw/zinc/95/92/62/607959262.db2.gz MHNMXNYQFQHRQM-CYBMUJFWSA-N -1 3 391.387 3.352 20 0 GGADHM O=C(c1ccccc1NCc1cccnc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474561 607962112 /nfs/dbraw/zinc/96/21/12/607962112.db2.gz VPRGNANERQBLTB-UHFFFAOYSA-N -1 3 397.442 3.077 20 0 GGADHM O=C(c1ccccc1NCc1cccnc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474561 607962113 /nfs/dbraw/zinc/96/21/13/607962113.db2.gz VPRGNANERQBLTB-UHFFFAOYSA-N -1 3 397.442 3.077 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000826372010 607969165 /nfs/dbraw/zinc/96/91/65/607969165.db2.gz COUBYEAJNIHKJE-MRXNPFEDSA-N -1 3 391.353 3.185 20 0 GGADHM CCC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000825259316 607969336 /nfs/dbraw/zinc/96/93/36/607969336.db2.gz IFZYNMVUUWKYAK-LBPRGKRZSA-N -1 3 390.394 3.022 20 0 GGADHM CCC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000825259316 607969337 /nfs/dbraw/zinc/96/93/37/607969337.db2.gz IFZYNMVUUWKYAK-LBPRGKRZSA-N -1 3 390.394 3.022 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000826512134 607969348 /nfs/dbraw/zinc/96/93/48/607969348.db2.gz PPWVJNDFVGWMRV-OAHLLOKOSA-N -1 3 385.884 3.353 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000826512134 607969349 /nfs/dbraw/zinc/96/93/49/607969349.db2.gz PPWVJNDFVGWMRV-OAHLLOKOSA-N -1 3 385.884 3.353 20 0 GGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCCOC)cc1 ZINC000825351808 607974718 /nfs/dbraw/zinc/97/47/18/607974718.db2.gz JGEBXGNHUXVNAO-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCCOC)cc1 ZINC000825351808 607974719 /nfs/dbraw/zinc/97/47/19/607974719.db2.gz JGEBXGNHUXVNAO-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(O)ccc1Br ZINC000825782347 607975948 /nfs/dbraw/zinc/97/59/48/607975948.db2.gz DPLGLRQXEXFEFR-UHFFFAOYSA-N -1 3 385.225 3.371 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)cs2)n1C ZINC000826273604 607977472 /nfs/dbraw/zinc/97/74/72/607977472.db2.gz MCQDQNOWMSYVFF-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)cs2)n1C ZINC000826273604 607977473 /nfs/dbraw/zinc/97/74/73/607977473.db2.gz MCQDQNOWMSYVFF-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)cs2)n1C ZINC000826273653 607977584 /nfs/dbraw/zinc/97/75/84/607977584.db2.gz OEYHTNCCJDIVQV-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)cs2)n1C ZINC000826273653 607977585 /nfs/dbraw/zinc/97/75/85/607977585.db2.gz OEYHTNCCJDIVQV-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM CC(=Cc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823943915 607980076 /nfs/dbraw/zinc/98/00/76/607980076.db2.gz VAQLRZSFTVGSAN-XFXZXTDPSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823943915 607980077 /nfs/dbraw/zinc/98/00/77/607980077.db2.gz VAQLRZSFTVGSAN-XFXZXTDPSA-N -1 3 382.807 3.350 20 0 GGADHM COC1CCC(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CC1 ZINC000826144837 607980502 /nfs/dbraw/zinc/98/05/02/607980502.db2.gz TVUXNPHSGJGQST-UHFFFAOYSA-N -1 3 385.512 3.447 20 0 GGADHM COC1CCC(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CC1 ZINC000826144837 607980503 /nfs/dbraw/zinc/98/05/03/607980503.db2.gz TVUXNPHSGJGQST-UHFFFAOYSA-N -1 3 385.512 3.447 20 0 GGADHM Cc1ccc(-c2nc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)cs2)n1C ZINC000826278421 607980784 /nfs/dbraw/zinc/98/07/84/607980784.db2.gz BHDKRVUJIWGZFL-UHFFFAOYSA-N -1 3 379.449 3.198 20 0 GGADHM Cc1ccc(-c2nc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)cs2)n1C ZINC000826278421 607980785 /nfs/dbraw/zinc/98/07/85/607980785.db2.gz BHDKRVUJIWGZFL-UHFFFAOYSA-N -1 3 379.449 3.198 20 0 GGADHM CC(=O)c1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000824024381 607982487 /nfs/dbraw/zinc/98/24/87/607982487.db2.gz BWCNVAOVFBOIHZ-UHFFFAOYSA-N -1 3 384.827 3.082 20 0 GGADHM CC(=O)c1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000824024381 607982488 /nfs/dbraw/zinc/98/24/88/607982488.db2.gz BWCNVAOVFBOIHZ-UHFFFAOYSA-N -1 3 384.827 3.082 20 0 GGADHM COc1ccc(CSCC(=O)Nc2ccc(C)cc2F)cc1-c1nnn[n-]1 ZINC000826207146 607983718 /nfs/dbraw/zinc/98/37/18/607983718.db2.gz CAFVIPQUAPKPTJ-UHFFFAOYSA-N -1 3 387.440 3.195 20 0 GGADHM COc1ccc(CSCC(=O)Nc2ccc(C)cc2F)cc1-c1nn[n-]n1 ZINC000826207146 607983719 /nfs/dbraw/zinc/98/37/19/607983719.db2.gz CAFVIPQUAPKPTJ-UHFFFAOYSA-N -1 3 387.440 3.195 20 0 GGADHM CCN(C(=O)CSCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825376392 607984259 /nfs/dbraw/zinc/98/42/59/607984259.db2.gz GGQRBIBSMYYICI-UHFFFAOYSA-N -1 3 383.477 3.162 20 0 GGADHM CCN(C(=O)CSCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825376392 607984260 /nfs/dbraw/zinc/98/42/60/607984260.db2.gz GGQRBIBSMYYICI-UHFFFAOYSA-N -1 3 383.477 3.162 20 0 GGADHM COc1ccc(C)cc1NC(=O)CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826190053 607984295 /nfs/dbraw/zinc/98/42/95/607984295.db2.gz OBVSSUQTVRUSPC-UHFFFAOYSA-N -1 3 399.476 3.064 20 0 GGADHM COc1ccc(C)cc1NC(=O)CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826190053 607984296 /nfs/dbraw/zinc/98/42/96/607984296.db2.gz OBVSSUQTVRUSPC-UHFFFAOYSA-N -1 3 399.476 3.064 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccccc2C)cc1-c1nnn[n-]1 ZINC000826207472 607984531 /nfs/dbraw/zinc/98/45/31/607984531.db2.gz PIIHSFPTTVFPBN-CYBMUJFWSA-N -1 3 383.477 3.444 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccccc2C)cc1-c1nn[n-]n1 ZINC000826207472 607984532 /nfs/dbraw/zinc/98/45/32/607984532.db2.gz PIIHSFPTTVFPBN-CYBMUJFWSA-N -1 3 383.477 3.444 20 0 GGADHM O=C(Nc1ccccc1)c1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826457100 607986029 /nfs/dbraw/zinc/98/60/29/607986029.db2.gz LZFGPNVEEURCSN-UHFFFAOYSA-N -1 3 385.383 3.338 20 0 GGADHM O=C(Nc1ccccc1)c1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826457100 607986030 /nfs/dbraw/zinc/98/60/30/607986030.db2.gz LZFGPNVEEURCSN-UHFFFAOYSA-N -1 3 385.383 3.338 20 0 GGADHM Cc1cc([C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C2CC2)ccc1F ZINC000826262667 607992079 /nfs/dbraw/zinc/99/20/79/607992079.db2.gz VAHYNWFNSRRBFG-SFHVURJKSA-N -1 3 398.417 3.404 20 0 GGADHM Cc1cc([C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C2CC2)ccc1F ZINC000826262667 607992080 /nfs/dbraw/zinc/99/20/80/607992080.db2.gz VAHYNWFNSRRBFG-SFHVURJKSA-N -1 3 398.417 3.404 20 0 GGADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825082451 607994427 /nfs/dbraw/zinc/99/44/27/607994427.db2.gz UANVGOZYLAWHSE-YOEHRIQHSA-N -1 3 394.479 3.137 20 0 GGADHM O=C(O[C@H]1CCc2c1cc(Cl)cc2Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000826462771 607995147 /nfs/dbraw/zinc/99/51/47/607995147.db2.gz IHLQNCILFCJPMP-AWEZNQCLSA-N -1 3 376.203 3.413 20 0 GGADHM O=C(O[C@H]1CCc2c1cc(Cl)cc2Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000826462771 607995148 /nfs/dbraw/zinc/99/51/48/607995148.db2.gz IHLQNCILFCJPMP-AWEZNQCLSA-N -1 3 376.203 3.413 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(C2CCCCC2)n[nH]1 ZINC000826428040 607995641 /nfs/dbraw/zinc/99/56/41/607995641.db2.gz MLJMTOVCPTZLOL-UHFFFAOYSA-N -1 3 377.452 3.057 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(C2CCCCC2)n[nH]1 ZINC000826428040 607995642 /nfs/dbraw/zinc/99/56/42/607995642.db2.gz MLJMTOVCPTZLOL-UHFFFAOYSA-N -1 3 377.452 3.057 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000824319573 607996135 /nfs/dbraw/zinc/99/61/35/607996135.db2.gz UZMLJUAQSVZDEK-GOSISDBHSA-N -1 3 393.451 3.322 20 0 GGADHM O=C(N[C@@H](c1cccnc1)C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826426969 607996462 /nfs/dbraw/zinc/99/64/62/607996462.db2.gz BLLIXPKRAJKIHT-LJQANCHMSA-N -1 3 389.463 3.087 20 0 GGADHM O=C(N[C@@H](c1cccnc1)C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826426969 607996463 /nfs/dbraw/zinc/99/64/63/607996463.db2.gz BLLIXPKRAJKIHT-LJQANCHMSA-N -1 3 389.463 3.087 20 0 GGADHM CC(C)c1ccccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824352443 608001259 /nfs/dbraw/zinc/00/12/59/608001259.db2.gz DIBWZCLRUXVYAT-UHFFFAOYSA-N -1 3 376.413 3.038 20 0 GGADHM CC(C)c1ccccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824352443 608001260 /nfs/dbraw/zinc/00/12/60/608001260.db2.gz DIBWZCLRUXVYAT-UHFFFAOYSA-N -1 3 376.413 3.038 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cncc2ccccc21 ZINC000824207064 608003515 /nfs/dbraw/zinc/00/35/15/608003515.db2.gz ORSWDRJBYPWBOV-IBGZPJMESA-N -1 3 388.431 3.457 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cncc2ccccc21 ZINC000824207064 608003516 /nfs/dbraw/zinc/00/35/16/608003516.db2.gz ORSWDRJBYPWBOV-IBGZPJMESA-N -1 3 388.431 3.457 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826420395 608005848 /nfs/dbraw/zinc/00/58/48/608005848.db2.gz KWRRKFGDAXNOHA-UHFFFAOYSA-N -1 3 390.472 3.025 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826420395 608005849 /nfs/dbraw/zinc/00/58/49/608005849.db2.gz KWRRKFGDAXNOHA-UHFFFAOYSA-N -1 3 390.472 3.025 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826273434 608008664 /nfs/dbraw/zinc/00/86/64/608008664.db2.gz DHWARCIXDWENEZ-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826273434 608008665 /nfs/dbraw/zinc/00/86/65/608008665.db2.gz DHWARCIXDWENEZ-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM CC(=O)c1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000824024350 608009815 /nfs/dbraw/zinc/00/98/15/608009815.db2.gz AUSZZYWJOWLMBV-UHFFFAOYSA-N -1 3 376.420 3.189 20 0 GGADHM CC(=O)c1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000824024350 608009816 /nfs/dbraw/zinc/00/98/16/608009816.db2.gz AUSZZYWJOWLMBV-UHFFFAOYSA-N -1 3 376.420 3.189 20 0 GGADHM c1ccc(N2Cc3cccc(NCCOc4ccc(-c5nn[n-]n5)cc4)c3C2)nc1 ZINC000826522075 608012591 /nfs/dbraw/zinc/01/25/91/608012591.db2.gz LIFKDVZOODPMBE-UHFFFAOYSA-N -1 3 399.458 3.273 20 0 GGADHM C[C@@H](SC1=N[C@H](C)CS1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825014180 608014068 /nfs/dbraw/zinc/01/40/68/608014068.db2.gz UXSIDSAPKHCCLZ-HTQZYQBOSA-N -1 3 382.902 3.072 20 0 GGADHM C[C@@H](SC1=N[C@H](C)CS1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825014180 608014069 /nfs/dbraw/zinc/01/40/69/608014069.db2.gz UXSIDSAPKHCCLZ-HTQZYQBOSA-N -1 3 382.902 3.072 20 0 GGADHM Oc1ccc(CN(CC2CC2)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000826511058 608017543 /nfs/dbraw/zinc/01/75/43/608017543.db2.gz ACODLBPVLQVNNN-UHFFFAOYSA-N -1 3 390.369 3.403 20 0 GGADHM Oc1ccc(CN(CC2CC2)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000826511058 608017544 /nfs/dbraw/zinc/01/75/44/608017544.db2.gz ACODLBPVLQVNNN-UHFFFAOYSA-N -1 3 390.369 3.403 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000825319181 608023356 /nfs/dbraw/zinc/02/33/56/608023356.db2.gz ZWLSKYKQUHREAD-HNNXBMFYSA-N -1 3 398.492 3.227 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000825319181 608023357 /nfs/dbraw/zinc/02/33/57/608023357.db2.gz ZWLSKYKQUHREAD-HNNXBMFYSA-N -1 3 398.492 3.227 20 0 GGADHM COc1ccc(COCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826207026 608025920 /nfs/dbraw/zinc/02/59/20/608025920.db2.gz XEQGSLQBNJIYNC-UHFFFAOYSA-N -1 3 381.436 3.119 20 0 GGADHM COc1ccc(COCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826207026 608025921 /nfs/dbraw/zinc/02/59/21/608025921.db2.gz XEQGSLQBNJIYNC-UHFFFAOYSA-N -1 3 381.436 3.119 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Oc2cccnc2)nc1 ZINC000826401825 608027775 /nfs/dbraw/zinc/02/77/75/608027775.db2.gz HNZXMLXQWLGCJB-VQHVLOKHSA-N -1 3 385.387 3.101 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Oc2cccnc2)nc1 ZINC000826401825 608027776 /nfs/dbraw/zinc/02/77/76/608027776.db2.gz HNZXMLXQWLGCJB-VQHVLOKHSA-N -1 3 385.387 3.101 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212848 608029037 /nfs/dbraw/zinc/02/90/37/608029037.db2.gz CZQPLJVCBAGVOW-DOMZBBRYSA-N -1 3 380.404 3.046 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212848 608029038 /nfs/dbraw/zinc/02/90/38/608029038.db2.gz CZQPLJVCBAGVOW-DOMZBBRYSA-N -1 3 380.404 3.046 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825080572 608029439 /nfs/dbraw/zinc/02/94/39/608029439.db2.gz AWQLPBLOEVFVMA-ZDUSSCGKSA-N -1 3 396.451 3.147 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825080572 608029440 /nfs/dbraw/zinc/02/94/40/608029440.db2.gz AWQLPBLOEVFVMA-ZDUSSCGKSA-N -1 3 396.451 3.147 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826213299 608029730 /nfs/dbraw/zinc/02/97/30/608029730.db2.gz SHMXZTCBJLBMDA-NSHDSACASA-N -1 3 385.811 3.034 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826213299 608029731 /nfs/dbraw/zinc/02/97/31/608029731.db2.gz SHMXZTCBJLBMDA-NSHDSACASA-N -1 3 385.811 3.034 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(CCOCc2ccccc2)CC1 ZINC000826402666 608030721 /nfs/dbraw/zinc/03/07/21/608030721.db2.gz ZIUJTZDZOONRIK-KHPPLWFESA-N -1 3 389.459 3.136 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(CCOCc2ccccc2)CC1 ZINC000826402666 608030722 /nfs/dbraw/zinc/03/07/22/608030722.db2.gz ZIUJTZDZOONRIK-KHPPLWFESA-N -1 3 389.459 3.136 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccc[nH]1 ZINC000824505450 608031174 /nfs/dbraw/zinc/03/11/74/608031174.db2.gz DCVAOFRFTLTZLG-LBPRGKRZSA-N -1 3 390.407 3.265 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccc[nH]1 ZINC000824505450 608031175 /nfs/dbraw/zinc/03/11/75/608031175.db2.gz DCVAOFRFTLTZLG-LBPRGKRZSA-N -1 3 390.407 3.265 20 0 GGADHM CC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)nc1 ZINC000824025227 608031207 /nfs/dbraw/zinc/03/12/07/608031207.db2.gz XNGDXKPCGFTLRQ-UHFFFAOYSA-N -1 3 384.399 3.384 20 0 GGADHM CC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)nc1 ZINC000824025227 608031208 /nfs/dbraw/zinc/03/12/08/608031208.db2.gz XNGDXKPCGFTLRQ-UHFFFAOYSA-N -1 3 384.399 3.384 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(CCOCc2ccccc2)CC1 ZINC000826277997 608031251 /nfs/dbraw/zinc/03/12/51/608031251.db2.gz OBRUTDLQZWAKIU-UHFFFAOYSA-N -1 3 392.463 3.436 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(CCOCc2ccccc2)CC1 ZINC000826277997 608031252 /nfs/dbraw/zinc/03/12/52/608031252.db2.gz OBRUTDLQZWAKIU-UHFFFAOYSA-N -1 3 392.463 3.436 20 0 GGADHM Cn1c2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc2nc1C(C)(C)C ZINC000826355168 608031463 /nfs/dbraw/zinc/03/14/63/608031463.db2.gz NEWSAIOKTAWGKK-UHFFFAOYSA-N -1 3 381.465 3.365 20 0 GGADHM Cn1c2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc2nc1C(C)(C)C ZINC000826355168 608031464 /nfs/dbraw/zinc/03/14/64/608031464.db2.gz NEWSAIOKTAWGKK-UHFFFAOYSA-N -1 3 381.465 3.365 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826419342 608032316 /nfs/dbraw/zinc/03/23/16/608032316.db2.gz SUFOYOAFRNXHBR-SFHVURJKSA-N -1 3 391.475 3.259 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826419342 608032317 /nfs/dbraw/zinc/03/23/17/608032317.db2.gz SUFOYOAFRNXHBR-SFHVURJKSA-N -1 3 391.475 3.259 20 0 GGADHM COc1ccnc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826221319 608040532 /nfs/dbraw/zinc/04/05/32/608040532.db2.gz ZLSYDKVKZPOMOX-UHFFFAOYSA-N -1 3 387.403 3.266 20 0 GGADHM O=C(Nc1ccncc1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826458983 608049589 /nfs/dbraw/zinc/04/95/89/608049589.db2.gz PKDCBAKXCBOANT-UHFFFAOYSA-N -1 3 392.806 3.382 20 0 GGADHM O=C(Nc1ccncc1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826458983 608049590 /nfs/dbraw/zinc/04/95/90/608049590.db2.gz PKDCBAKXCBOANT-UHFFFAOYSA-N -1 3 392.806 3.382 20 0 GGADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)[C@H]2CCCO[C@H]21 ZINC000824788977 608050596 /nfs/dbraw/zinc/05/05/96/608050596.db2.gz FALVEQMTQPSPCW-LERXQTSPSA-N -1 3 378.274 3.245 20 0 GGADHM O[C@H]1CCCC[C@@H]1CCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826507185 608051664 /nfs/dbraw/zinc/05/16/64/608051664.db2.gz KCLKIQOKMWFDGT-ABAIWWIYSA-N -1 3 380.290 3.372 20 0 GGADHM CC(C)c1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nc(C(C)C)n1 ZINC000824341764 608052127 /nfs/dbraw/zinc/05/21/27/608052127.db2.gz AXKREPOFQORYTR-GOSISDBHSA-N -1 3 393.495 3.481 20 0 GGADHM CC(C)c1cc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nc(C(C)C)n1 ZINC000824341764 608052128 /nfs/dbraw/zinc/05/21/28/608052128.db2.gz AXKREPOFQORYTR-GOSISDBHSA-N -1 3 393.495 3.481 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000826279826 608054295 /nfs/dbraw/zinc/05/42/95/608054295.db2.gz DGENEBQYJLHJKE-UHFFFAOYSA-N -1 3 399.810 3.216 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000826279826 608054296 /nfs/dbraw/zinc/05/42/96/608054296.db2.gz DGENEBQYJLHJKE-UHFFFAOYSA-N -1 3 399.810 3.216 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1Cl ZINC000826395760 608058414 /nfs/dbraw/zinc/05/84/14/608058414.db2.gz RSIILBOXLQCSQL-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000826395760 608058415 /nfs/dbraw/zinc/05/84/15/608058415.db2.gz RSIILBOXLQCSQL-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM O=C(Nc1ncccn1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826460653 608059948 /nfs/dbraw/zinc/05/99/48/608059948.db2.gz LXRUJWYECUWSOA-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1ncccn1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826460653 608059949 /nfs/dbraw/zinc/05/99/49/608059949.db2.gz LXRUJWYECUWSOA-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(-c2cn[nH]c2)c1 ZINC000826420667 608060394 /nfs/dbraw/zinc/06/03/94/608060394.db2.gz WGTAFNXCVNUHQX-UHFFFAOYSA-N -1 3 391.460 3.129 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2cn[nH]c2)c1 ZINC000826420667 608060395 /nfs/dbraw/zinc/06/03/95/608060395.db2.gz WGTAFNXCVNUHQX-UHFFFAOYSA-N -1 3 391.460 3.129 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000824147142 608060887 /nfs/dbraw/zinc/06/08/87/608060887.db2.gz ADLKYMFANXQSCP-OAHLLOKOSA-N -1 3 380.452 3.179 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000824147142 608060888 /nfs/dbraw/zinc/06/08/88/608060888.db2.gz ADLKYMFANXQSCP-OAHLLOKOSA-N -1 3 380.452 3.179 20 0 GGADHM Cc1ccccc1[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826305950 608061448 /nfs/dbraw/zinc/06/14/48/608061448.db2.gz MSEOQMSVZSOTBX-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccccc1[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826305950 608061449 /nfs/dbraw/zinc/06/14/49/608061449.db2.gz MSEOQMSVZSOTBX-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM O=C(NC1CCCCCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826429638 608061561 /nfs/dbraw/zinc/06/15/61/608061561.db2.gz JFFDXGGNDMDDRT-GOSISDBHSA-N -1 3 384.484 3.063 20 0 GGADHM O=C(NC1CCCCCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826429638 608061562 /nfs/dbraw/zinc/06/15/62/608061562.db2.gz JFFDXGGNDMDDRT-GOSISDBHSA-N -1 3 384.484 3.063 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825254476 608062592 /nfs/dbraw/zinc/06/25/92/608062592.db2.gz RYLRZZALVIZTEE-MNEFBYGVSA-N -1 3 398.511 3.309 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825254476 608062593 /nfs/dbraw/zinc/06/25/93/608062593.db2.gz RYLRZZALVIZTEE-MNEFBYGVSA-N -1 3 398.511 3.309 20 0 GGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825267987 608062665 /nfs/dbraw/zinc/06/26/65/608062665.db2.gz PJKOKLADHRUVMZ-MNEFBYGVSA-N -1 3 398.511 3.309 20 0 GGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825267987 608062666 /nfs/dbraw/zinc/06/26/66/608062666.db2.gz PJKOKLADHRUVMZ-MNEFBYGVSA-N -1 3 398.511 3.309 20 0 GGADHM CC[C@@H](NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C1CCCCC1 ZINC000825134815 608062771 /nfs/dbraw/zinc/06/27/71/608062771.db2.gz XCQJWOFZQPSPGV-MOPGFXCFSA-N -1 3 398.511 3.309 20 0 GGADHM CC[C@@H](NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C1CCCCC1 ZINC000825134815 608062772 /nfs/dbraw/zinc/06/27/72/608062772.db2.gz XCQJWOFZQPSPGV-MOPGFXCFSA-N -1 3 398.511 3.309 20 0 GGADHM C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824401150 608063155 /nfs/dbraw/zinc/06/31/55/608063155.db2.gz NLDDVQICNNZPKQ-YOEHRIQHSA-N -1 3 386.500 3.164 20 0 GGADHM C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824401150 608063156 /nfs/dbraw/zinc/06/31/56/608063156.db2.gz NLDDVQICNNZPKQ-YOEHRIQHSA-N -1 3 386.500 3.164 20 0 GGADHM CCCC[C@H](CCC)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825259820 608065369 /nfs/dbraw/zinc/06/53/69/608065369.db2.gz LEEJMQRPRRVHCP-ZWKOTPCHSA-N -1 3 386.500 3.309 20 0 GGADHM CCCC[C@H](CCC)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825259820 608065370 /nfs/dbraw/zinc/06/53/70/608065370.db2.gz LEEJMQRPRRVHCP-ZWKOTPCHSA-N -1 3 386.500 3.309 20 0 GGADHM FC(F)Oc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826369833 608067363 /nfs/dbraw/zinc/06/73/63/608067363.db2.gz SIPQKWTVCNGBMZ-KRWDZBQOSA-N -1 3 387.390 3.042 20 0 GGADHM Fc1cc2cccnc2c(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826372369 608069204 /nfs/dbraw/zinc/06/92/04/608069204.db2.gz SYDBUBIKJLNZFV-LJQANCHMSA-N -1 3 390.422 3.128 20 0 GGADHM c1ccc2sc(CN3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)nc2c1 ZINC000826513429 608070455 /nfs/dbraw/zinc/07/04/55/608070455.db2.gz LBFPTKGROFYSCF-MRXNPFEDSA-N -1 3 378.461 3.050 20 0 GGADHM c1ccc2sc(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)nc2c1 ZINC000826513429 608070456 /nfs/dbraw/zinc/07/04/56/608070456.db2.gz LBFPTKGROFYSCF-MRXNPFEDSA-N -1 3 378.461 3.050 20 0 GGADHM CCCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825348705 608072372 /nfs/dbraw/zinc/07/23/72/608072372.db2.gz XCFZWZDMYNCIKU-LJQANCHMSA-N -1 3 392.463 3.425 20 0 GGADHM CCCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825348705 608072373 /nfs/dbraw/zinc/07/23/73/608072373.db2.gz XCFZWZDMYNCIKU-LJQANCHMSA-N -1 3 392.463 3.425 20 0 GGADHM CCCc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825348444 608072504 /nfs/dbraw/zinc/07/25/04/608072504.db2.gz KXIREWSCMRBYEF-LJQANCHMSA-N -1 3 392.463 3.425 20 0 GGADHM CCCc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825348444 608072505 /nfs/dbraw/zinc/07/25/05/608072505.db2.gz KXIREWSCMRBYEF-LJQANCHMSA-N -1 3 392.463 3.425 20 0 GGADHM Cc1cc(C)c(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(C)c1 ZINC000826263964 608072923 /nfs/dbraw/zinc/07/29/23/608072923.db2.gz XPTJCSPUXMSPHI-SFHVURJKSA-N -1 3 392.463 3.397 20 0 GGADHM Cc1cc(C)c(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(C)c1 ZINC000826263964 608072924 /nfs/dbraw/zinc/07/29/24/608072924.db2.gz XPTJCSPUXMSPHI-SFHVURJKSA-N -1 3 392.463 3.397 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000826472857 608074400 /nfs/dbraw/zinc/07/44/00/608074400.db2.gz YZFDFKUBVSHNKF-NRFANRHFSA-N -1 3 396.454 3.244 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000826472857 608074401 /nfs/dbraw/zinc/07/44/01/608074401.db2.gz YZFDFKUBVSHNKF-NRFANRHFSA-N -1 3 396.454 3.244 20 0 GGADHM O=C(Oc1ccc(Cl)c(F)c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826468553 608074581 /nfs/dbraw/zinc/07/45/81/608074581.db2.gz WXHQGJRBPYRRKT-INIZCTEOSA-N -1 3 387.802 3.234 20 0 GGADHM C[C@H]1CC[C@@H](COC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)O1 ZINC000824910690 608076228 /nfs/dbraw/zinc/07/62/28/608076228.db2.gz YCHUFOGHPJUXHX-LIRRHRJNSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@H]1CC[C@@H](COC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)O1 ZINC000824910690 608076229 /nfs/dbraw/zinc/07/62/29/608076229.db2.gz YCHUFOGHPJUXHX-LIRRHRJNSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1cccc(F)c1 ZINC000824385572 608080261 /nfs/dbraw/zinc/08/02/61/608080261.db2.gz WYJGZCSIYIWIMB-AUUYWEPGSA-N -1 3 395.438 3.100 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1cccc(F)c1 ZINC000824385572 608080262 /nfs/dbraw/zinc/08/02/62/608080262.db2.gz WYJGZCSIYIWIMB-AUUYWEPGSA-N -1 3 395.438 3.100 20 0 GGADHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1Cl ZINC000826258573 608081837 /nfs/dbraw/zinc/08/18/37/608081837.db2.gz OPAKWIHKFURBAY-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1Cl ZINC000826258573 608081838 /nfs/dbraw/zinc/08/18/38/608081838.db2.gz OPAKWIHKFURBAY-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM O=C(CCc1ccc(Cl)cc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826408566 608082284 /nfs/dbraw/zinc/08/22/84/608082284.db2.gz LZBBNLBJYIJVGY-GOSISDBHSA-N -1 3 397.866 3.053 20 0 GGADHM O=C(CCc1ccc(Cl)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826408566 608082285 /nfs/dbraw/zinc/08/22/85/608082285.db2.gz LZBBNLBJYIJVGY-GOSISDBHSA-N -1 3 397.866 3.053 20 0 GGADHM CC(C)(C)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824137212 608082503 /nfs/dbraw/zinc/08/25/03/608082503.db2.gz YPUPDFBVPGEZCG-IBGZPJMESA-N -1 3 391.475 3.378 20 0 GGADHM CC(C)(C)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824137212 608082504 /nfs/dbraw/zinc/08/25/04/608082504.db2.gz YPUPDFBVPGEZCG-IBGZPJMESA-N -1 3 391.475 3.378 20 0 GGADHM O=C(Cc1ccc2ccccc2c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826423055 608082855 /nfs/dbraw/zinc/08/28/55/608082855.db2.gz WTHKTKVXLSHFIF-OAQYLSRUSA-N -1 3 399.454 3.163 20 0 GGADHM O=C(Cc1ccc2ccccc2c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826423055 608082856 /nfs/dbraw/zinc/08/28/56/608082856.db2.gz WTHKTKVXLSHFIF-OAQYLSRUSA-N -1 3 399.454 3.163 20 0 GGADHM C[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1F ZINC000824385713 608084541 /nfs/dbraw/zinc/08/45/41/608084541.db2.gz ZRHUBUGTTAIPSS-LIRRHRJNSA-N -1 3 395.438 3.100 20 0 GGADHM C[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1F ZINC000824385713 608084542 /nfs/dbraw/zinc/08/45/42/608084542.db2.gz ZRHUBUGTTAIPSS-LIRRHRJNSA-N -1 3 395.438 3.100 20 0 GGADHM CC(C)(Cc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824162656 608089956 /nfs/dbraw/zinc/08/99/56/608089956.db2.gz LHWOUDLKSNBVCN-LJQANCHMSA-N -1 3 391.475 3.036 20 0 GGADHM CC(C)(Cc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824162656 608089957 /nfs/dbraw/zinc/08/99/57/608089957.db2.gz LHWOUDLKSNBVCN-LJQANCHMSA-N -1 3 391.475 3.036 20 0 GGADHM COc1ccc(C[C@@H](C)CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1OC ZINC000826191389 608099335 /nfs/dbraw/zinc/09/93/35/608099335.db2.gz FVJQDKAKHRESGS-CYBMUJFWSA-N -1 3 394.479 3.058 20 0 GGADHM COc1ccc(C[C@@H](C)CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1OC ZINC000826191389 608099336 /nfs/dbraw/zinc/09/93/36/608099336.db2.gz FVJQDKAKHRESGS-CYBMUJFWSA-N -1 3 394.479 3.058 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000824728354 608102318 /nfs/dbraw/zinc/10/23/18/608102318.db2.gz FNDUEUNRUBSGLX-NJSLBKSFSA-N -1 3 377.448 3.074 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000824047076 608105332 /nfs/dbraw/zinc/10/53/32/608105332.db2.gz WQPZIFGYSKTRPL-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000824047076 608105333 /nfs/dbraw/zinc/10/53/33/608105333.db2.gz WQPZIFGYSKTRPL-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000824046836 608105510 /nfs/dbraw/zinc/10/55/10/608105510.db2.gz VZEOSMHXFDLHMW-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000824046836 608105511 /nfs/dbraw/zinc/10/55/11/608105511.db2.gz VZEOSMHXFDLHMW-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM CC[C@H](C)n1ncc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C1CC1 ZINC000825081700 608106411 /nfs/dbraw/zinc/10/64/11/608106411.db2.gz MENWLOZZDOBMIF-NSHDSACASA-N -1 3 398.446 3.372 20 0 GGADHM CC[C@H](C)n1ncc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C1CC1 ZINC000825081700 608106412 /nfs/dbraw/zinc/10/64/12/608106412.db2.gz MENWLOZZDOBMIF-NSHDSACASA-N -1 3 398.446 3.372 20 0 GGADHM CC[C@H](C)n1ncc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082378 608106468 /nfs/dbraw/zinc/10/64/68/608106468.db2.gz SJYATVMOGQHTKO-LBPRGKRZSA-N -1 3 380.456 3.233 20 0 GGADHM CC[C@H](C)n1ncc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082378 608106469 /nfs/dbraw/zinc/10/64/69/608106469.db2.gz SJYATVMOGQHTKO-LBPRGKRZSA-N -1 3 380.456 3.233 20 0 GGADHM Cc1c(NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000826242088 608106683 /nfs/dbraw/zinc/10/66/83/608106683.db2.gz ZGOCVYKKPHQGPZ-HNNXBMFYSA-N -1 3 388.472 3.053 20 0 GGADHM Cc1c(NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000826242088 608106684 /nfs/dbraw/zinc/10/66/84/608106684.db2.gz ZGOCVYKKPHQGPZ-HNNXBMFYSA-N -1 3 388.472 3.053 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1cccc(C)c1 ZINC000825796777 608109377 /nfs/dbraw/zinc/10/93/77/608109377.db2.gz NNFBWOFTNPTRPX-UHFFFAOYSA-N -1 3 378.465 3.354 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1cccc(C)c1 ZINC000825796777 608109378 /nfs/dbraw/zinc/10/93/78/608109378.db2.gz NNFBWOFTNPTRPX-UHFFFAOYSA-N -1 3 378.465 3.354 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccccc2Cl)CC1 ZINC000826420545 608116643 /nfs/dbraw/zinc/11/66/43/608116643.db2.gz RCOVHQNKGNBEIZ-UHFFFAOYSA-N -1 3 399.907 3.460 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccccc2Cl)CC1 ZINC000826420545 608116644 /nfs/dbraw/zinc/11/66/44/608116644.db2.gz RCOVHQNKGNBEIZ-UHFFFAOYSA-N -1 3 399.907 3.460 20 0 GGADHM O=C(NCC1(c2ccccc2Cl)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826434783 608120887 /nfs/dbraw/zinc/12/08/87/608120887.db2.gz XLUFVIYHJVQEEM-UHFFFAOYSA-N -1 3 389.793 3.260 20 0 GGADHM O=C(NCC1(c2ccccc2Cl)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826434783 608120888 /nfs/dbraw/zinc/12/08/88/608120888.db2.gz XLUFVIYHJVQEEM-UHFFFAOYSA-N -1 3 389.793 3.260 20 0 GGADHM CCN(Cc1ccc(Cl)s1)[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434823 608122031 /nfs/dbraw/zinc/12/20/31/608122031.db2.gz GLTPBBPBUFTSQF-HNNXBMFYSA-N -1 3 391.884 3.318 20 0 GGADHM CCN(Cc1ccc(Cl)s1)[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434823 608122032 /nfs/dbraw/zinc/12/20/32/608122032.db2.gz GLTPBBPBUFTSQF-HNNXBMFYSA-N -1 3 391.884 3.318 20 0 GGADHM COc1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)cc3C)CCC2)cc1 ZINC000826189942 608132512 /nfs/dbraw/zinc/13/25/12/608132512.db2.gz KAMJKEJJULETBT-UHFFFAOYSA-N -1 3 377.448 3.035 20 0 GGADHM COc1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)cc3C)CCC2)cc1 ZINC000826189942 608132513 /nfs/dbraw/zinc/13/25/13/608132513.db2.gz KAMJKEJJULETBT-UHFFFAOYSA-N -1 3 377.448 3.035 20 0 GGADHM O=C(NCC[C@H]1CCOC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826436172 608133424 /nfs/dbraw/zinc/13/34/24/608133424.db2.gz KNXGEUZZSMFDDR-AWEZNQCLSA-N -1 3 395.488 3.174 20 0 GGADHM O=C(NCC[C@H]1CCOC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826436172 608133425 /nfs/dbraw/zinc/13/34/25/608133425.db2.gz KNXGEUZZSMFDDR-AWEZNQCLSA-N -1 3 395.488 3.174 20 0 GGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826332645 608137732 /nfs/dbraw/zinc/13/77/32/608137732.db2.gz AZOQQFDOWWFJJC-UHFFFAOYSA-N -1 3 383.456 3.166 20 0 GGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826332645 608137733 /nfs/dbraw/zinc/13/77/33/608137733.db2.gz AZOQQFDOWWFJJC-UHFFFAOYSA-N -1 3 383.456 3.166 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000826161604 608138259 /nfs/dbraw/zinc/13/82/59/608138259.db2.gz QEROYGJOPPGXSU-UHFFFAOYSA-N -1 3 389.415 3.297 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000826161604 608138260 /nfs/dbraw/zinc/13/82/60/608138260.db2.gz QEROYGJOPPGXSU-UHFFFAOYSA-N -1 3 389.415 3.297 20 0 GGADHM O=C(OCC[C@H]1CCCCO1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826462538 608143577 /nfs/dbraw/zinc/14/35/77/608143577.db2.gz AKLYBOKGFUBDAF-OAHLLOKOSA-N -1 3 398.419 3.155 20 0 GGADHM Cc1nn(C(C)(C)C)cc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826332880 608147124 /nfs/dbraw/zinc/14/71/24/608147124.db2.gz LIQCTFRBKKKMPJ-UHFFFAOYSA-N -1 3 381.484 3.177 20 0 GGADHM Cc1nn(C(C)(C)C)cc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826332880 608147125 /nfs/dbraw/zinc/14/71/25/608147125.db2.gz LIQCTFRBKKKMPJ-UHFFFAOYSA-N -1 3 381.484 3.177 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CCCC(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000825576644 608148180 /nfs/dbraw/zinc/14/81/80/608148180.db2.gz MNWABWNBDTYXQR-UHFFFAOYSA-N -1 3 391.375 3.084 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CCCC(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000825576644 608148182 /nfs/dbraw/zinc/14/81/82/608148182.db2.gz MNWABWNBDTYXQR-UHFFFAOYSA-N -1 3 391.375 3.084 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCO1 ZINC000824079654 608149749 /nfs/dbraw/zinc/14/97/49/608149749.db2.gz RAKDEIPJKWAUNQ-HZMBPMFUSA-N -1 3 388.422 3.121 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCO1 ZINC000824079654 608149750 /nfs/dbraw/zinc/14/97/50/608149750.db2.gz RAKDEIPJKWAUNQ-HZMBPMFUSA-N -1 3 388.422 3.121 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ncccc1C(F)(F)F ZINC000824293581 608149876 /nfs/dbraw/zinc/14/98/76/608149876.db2.gz SJINRAURTMXBOA-UHFFFAOYSA-N -1 3 390.369 3.331 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ncccc1C(F)(F)F ZINC000824293581 608149878 /nfs/dbraw/zinc/14/98/78/608149878.db2.gz SJINRAURTMXBOA-UHFFFAOYSA-N -1 3 390.369 3.331 20 0 GGADHM O=C(c1ncccc1C(F)(F)F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826475386 608151186 /nfs/dbraw/zinc/15/11/86/608151186.db2.gz DQBFFHIHQJZBSF-UHFFFAOYSA-N -1 3 388.353 3.085 20 0 GGADHM O=C(c1ncccc1C(F)(F)F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826475386 608151187 /nfs/dbraw/zinc/15/11/87/608151187.db2.gz DQBFFHIHQJZBSF-UHFFFAOYSA-N -1 3 388.353 3.085 20 0 GGADHM Cc1cc([C@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCO2)ccc1F ZINC000826266281 608151750 /nfs/dbraw/zinc/15/17/50/608151750.db2.gz JMHSRSOVMGNJIP-LJQANCHMSA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cc([C@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCO2)ccc1F ZINC000826266281 608151751 /nfs/dbraw/zinc/15/17/51/608151751.db2.gz JMHSRSOVMGNJIP-LJQANCHMSA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@H]1C ZINC000826268620 608152169 /nfs/dbraw/zinc/15/21/69/608152169.db2.gz GMKXZKYDLOIFEB-KBXCAEBGSA-N -1 3 395.438 3.272 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@H]1C ZINC000826268620 608152171 /nfs/dbraw/zinc/15/21/71/608152171.db2.gz GMKXZKYDLOIFEB-KBXCAEBGSA-N -1 3 395.438 3.272 20 0 GGADHM CCSc1cccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825675123 608156462 /nfs/dbraw/zinc/15/64/62/608156462.db2.gz WRLMKFYVMIDWBU-UHFFFAOYSA-N -1 3 391.460 3.417 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000826186266 608157355 /nfs/dbraw/zinc/15/73/55/608157355.db2.gz LKAAOIAGMLDHOK-UHFFFAOYSA-N -1 3 395.419 3.083 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000826186266 608157356 /nfs/dbraw/zinc/15/73/56/608157356.db2.gz LKAAOIAGMLDHOK-UHFFFAOYSA-N -1 3 395.419 3.083 20 0 GGADHM C[C@@H](NC(=O)NCC1(Cc2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498662 608163119 /nfs/dbraw/zinc/16/31/19/608163119.db2.gz JGAUUVZFOQHCRN-CQSZACIVSA-N -1 3 394.454 3.389 20 0 GGADHM C[C@@H](NC(=O)NCC1(Cc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498662 608163120 /nfs/dbraw/zinc/16/31/20/608163120.db2.gz JGAUUVZFOQHCRN-CQSZACIVSA-N -1 3 394.454 3.389 20 0 GGADHM CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825797310 608164911 /nfs/dbraw/zinc/16/49/11/608164911.db2.gz ZHRFQAKJULGJJH-LBPRGKRZSA-N -1 3 393.476 3.356 20 0 GGADHM CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825797310 608164912 /nfs/dbraw/zinc/16/49/12/608164912.db2.gz ZHRFQAKJULGJJH-LBPRGKRZSA-N -1 3 393.476 3.356 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2CCc3c2cccc3Cl)c(-c2nnn[n-]2)c1C ZINC000826342124 608165117 /nfs/dbraw/zinc/16/51/17/608165117.db2.gz YMNJQKYQMVJVKB-JTQLQIEISA-N -1 3 386.843 3.120 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N2CC(C)(C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826341259 608165244 /nfs/dbraw/zinc/16/52/44/608165244.db2.gz BTQZIMDQZMLPKW-GFCCVEGCSA-N -1 3 380.452 3.201 20 0 GGADHM COCCn1ccc2ccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000826163837 608166312 /nfs/dbraw/zinc/16/63/12/608166312.db2.gz NRLPCUWCGFBVMV-UHFFFAOYSA-N -1 3 390.447 3.039 20 0 GGADHM COCCn1ccc2ccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000826163837 608166313 /nfs/dbraw/zinc/16/63/13/608166313.db2.gz NRLPCUWCGFBVMV-UHFFFAOYSA-N -1 3 390.447 3.039 20 0 GGADHM Cc1cnc([C@@H](C)OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)o1 ZINC000826317997 608171008 /nfs/dbraw/zinc/17/10/08/608171008.db2.gz RUXOOBAVXPSARL-GFCCVEGCSA-N -1 3 395.375 3.253 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](SC)c1ccccc1 ZINC000825788321 608174217 /nfs/dbraw/zinc/17/42/17/608174217.db2.gz OSFUOODQXLCXPY-INIZCTEOSA-N -1 3 393.476 3.279 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](SC)c1ccccc1 ZINC000825788321 608174219 /nfs/dbraw/zinc/17/42/19/608174219.db2.gz OSFUOODQXLCXPY-INIZCTEOSA-N -1 3 393.476 3.279 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825128084 608175030 /nfs/dbraw/zinc/17/50/30/608175030.db2.gz QFFAEIXPWMRYRJ-HNNXBMFYSA-N -1 3 389.463 3.444 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825128084 608175032 /nfs/dbraw/zinc/17/50/32/608175032.db2.gz QFFAEIXPWMRYRJ-HNNXBMFYSA-N -1 3 389.463 3.444 20 0 GGADHM CCCc1nc(C)c(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)s1 ZINC000825351784 608175168 /nfs/dbraw/zinc/17/51/68/608175168.db2.gz IYTWIYHZFNQWRJ-UHFFFAOYSA-N -1 3 396.480 3.206 20 0 GGADHM CCCc1nc(C)c(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)s1 ZINC000825351784 608175170 /nfs/dbraw/zinc/17/51/70/608175170.db2.gz IYTWIYHZFNQWRJ-UHFFFAOYSA-N -1 3 396.480 3.206 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC=Cc1cccc(F)c1 ZINC000825787551 608178435 /nfs/dbraw/zinc/17/84/35/608178435.db2.gz HNJBLOIZKFQFPY-GQCTYLIASA-N -1 3 391.410 3.417 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC=Cc1cccc(F)c1 ZINC000825787551 608178437 /nfs/dbraw/zinc/17/84/37/608178437.db2.gz HNJBLOIZKFQFPY-GQCTYLIASA-N -1 3 391.410 3.417 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(Cl)ccc1F ZINC000825792575 608178902 /nfs/dbraw/zinc/17/89/02/608178902.db2.gz AVAGSEPGDKJRBV-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(Cl)ccc1F ZINC000825792575 608178903 /nfs/dbraw/zinc/17/89/03/608178903.db2.gz AVAGSEPGDKJRBV-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(F)cc1Cl ZINC000825793218 608179038 /nfs/dbraw/zinc/17/90/38/608179038.db2.gz OLVBHLVKSQIKTP-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(F)cc1Cl ZINC000825793218 608179039 /nfs/dbraw/zinc/17/90/39/608179039.db2.gz OLVBHLVKSQIKTP-UHFFFAOYSA-N -1 3 385.790 3.281 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCSc1ccccc1 ZINC000825787448 608179828 /nfs/dbraw/zinc/17/98/28/608179828.db2.gz GKDFYWURSIJOCG-UHFFFAOYSA-N -1 3 393.476 3.357 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCSc1ccccc1 ZINC000825787448 608179829 /nfs/dbraw/zinc/17/98/29/608179829.db2.gz GKDFYWURSIJOCG-UHFFFAOYSA-N -1 3 393.476 3.357 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1c(F)cccc1F ZINC000824450355 608184567 /nfs/dbraw/zinc/18/45/67/608184567.db2.gz VVTNGUVZMCGAJM-RYUDHWBXSA-N -1 3 388.374 3.259 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1c(F)cccc1F ZINC000824450355 608184569 /nfs/dbraw/zinc/18/45/69/608184569.db2.gz VVTNGUVZMCGAJM-RYUDHWBXSA-N -1 3 388.374 3.259 20 0 GGADHM Cc1onc(-c2ccncc2)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826342999 608184617 /nfs/dbraw/zinc/18/46/17/608184617.db2.gz ITMWIEAGWOZNJM-NSHDSACASA-N -1 3 376.376 3.143 20 0 GGADHM Cc1onc(-c2ccncc2)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826342999 608184618 /nfs/dbraw/zinc/18/46/18/608184618.db2.gz ITMWIEAGWOZNJM-NSHDSACASA-N -1 3 376.376 3.143 20 0 GGADHM Cc1ccsc1[C@@H](CO)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826315477 608188083 /nfs/dbraw/zinc/18/80/83/608188083.db2.gz KVCCDOZLVKIOHE-LLVKDONJSA-N -1 3 398.275 3.007 20 0 GGADHM Cc1ccsc1[C@@H](CO)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826315477 608188084 /nfs/dbraw/zinc/18/80/84/608188084.db2.gz KVCCDOZLVKIOHE-LLVKDONJSA-N -1 3 398.275 3.007 20 0 GGADHM Fc1ccc2ncnc(NC3CCN(c4ccccc4-c4nnn[n-]4)CC3)c2c1 ZINC000826376012 608189651 /nfs/dbraw/zinc/18/96/51/608189651.db2.gz KWLQNXLHVSFZGD-UHFFFAOYSA-N -1 3 390.426 3.030 20 0 GGADHM Fc1ccc2ncnc(NC3CCN(c4ccccc4-c4nn[n-]n4)CC3)c2c1 ZINC000826376012 608189652 /nfs/dbraw/zinc/18/96/52/608189652.db2.gz KWLQNXLHVSFZGD-UHFFFAOYSA-N -1 3 390.426 3.030 20 0 GGADHM Cc1cccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1Cl ZINC000826296271 608192027 /nfs/dbraw/zinc/19/20/27/608192027.db2.gz PSAQQLYAJUWWBW-UHFFFAOYSA-N -1 3 393.838 3.149 20 0 GGADHM Cc1cccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1Cl ZINC000826296271 608192028 /nfs/dbraw/zinc/19/20/28/608192028.db2.gz PSAQQLYAJUWWBW-UHFFFAOYSA-N -1 3 393.838 3.149 20 0 GGADHM CC(C)c1ccc(/C=C\CC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000824347635 608194455 /nfs/dbraw/zinc/19/44/55/608194455.db2.gz ICRNPSUGTLGMTL-HYXAFXHYSA-N -1 3 391.479 3.017 20 0 GGADHM CC(C)c1ccc(/C=C\CC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000824347635 608194457 /nfs/dbraw/zinc/19/44/57/608194457.db2.gz ICRNPSUGTLGMTL-HYXAFXHYSA-N -1 3 391.479 3.017 20 0 GGADHM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000826283177 608202746 /nfs/dbraw/zinc/20/27/46/608202746.db2.gz MJDKGMNQMSUAJJ-IFXJQAMLSA-N -1 3 395.463 3.065 20 0 GGADHM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000826283177 608202747 /nfs/dbraw/zinc/20/27/47/608202747.db2.gz MJDKGMNQMSUAJJ-IFXJQAMLSA-N -1 3 395.463 3.065 20 0 GGADHM CC(C)(C)[C@H]1C[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824072197 608206054 /nfs/dbraw/zinc/20/60/54/608206054.db2.gz STGBBYVWJFWYAH-ZWNOBZJWSA-N -1 3 398.294 3.497 20 0 GGADHM CC(C)(C)[C@H]1C[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824072197 608206055 /nfs/dbraw/zinc/20/60/55/608206055.db2.gz STGBBYVWJFWYAH-ZWNOBZJWSA-N -1 3 398.294 3.497 20 0 GGADHM Cc1ocnc1CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826343061 608208929 /nfs/dbraw/zinc/20/89/29/608208929.db2.gz KWQPZAXPYDJMMR-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1ocnc1CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826343061 608208930 /nfs/dbraw/zinc/20/89/30/608208930.db2.gz KWQPZAXPYDJMMR-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824333779 608212141 /nfs/dbraw/zinc/21/21/41/608212141.db2.gz METNGNIARVCVAZ-LLVKDONJSA-N -1 3 386.843 3.193 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824333779 608212143 /nfs/dbraw/zinc/21/21/43/608212143.db2.gz METNGNIARVCVAZ-LLVKDONJSA-N -1 3 386.843 3.193 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000772569410 608219724 /nfs/dbraw/zinc/21/97/24/608219724.db2.gz FKOYXGSCPMUCAS-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000772569410 608219725 /nfs/dbraw/zinc/21/97/25/608219725.db2.gz FKOYXGSCPMUCAS-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM Cc1cccc([C@H]2CCCCN2C(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1C ZINC000826297451 608226332 /nfs/dbraw/zinc/22/63/32/608226332.db2.gz IDMIUEDKNTYWMM-GOSISDBHSA-N -1 3 391.479 3.044 20 0 GGADHM Cc1cccc([C@H]2CCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1C ZINC000826297451 608226333 /nfs/dbraw/zinc/22/63/33/608226333.db2.gz IDMIUEDKNTYWMM-GOSISDBHSA-N -1 3 391.479 3.044 20 0 GGADHM O[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1c(F)cccc1Cl ZINC000826503914 608230788 /nfs/dbraw/zinc/23/07/88/608230788.db2.gz JKYVXIVNGCMYMK-HNNXBMFYSA-N -1 3 384.802 3.353 20 0 GGADHM O[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1c(F)cccc1Cl ZINC000826503914 608230789 /nfs/dbraw/zinc/23/07/89/608230789.db2.gz JKYVXIVNGCMYMK-HNNXBMFYSA-N -1 3 384.802 3.353 20 0 GGADHM Cc1cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)nn1-c1ccccc1 ZINC000826271155 608236293 /nfs/dbraw/zinc/23/62/93/608236293.db2.gz FUKZVBVVYWVSJB-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM Cc1cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)nn1-c1ccccc1 ZINC000826271155 608236295 /nfs/dbraw/zinc/23/62/95/608236295.db2.gz FUKZVBVVYWVSJB-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM Cc1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826271411 608236695 /nfs/dbraw/zinc/23/66/95/608236695.db2.gz PZQVRVNVVPAKGG-UHFFFAOYSA-N -1 3 375.436 3.242 20 0 GGADHM Cc1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826271411 608236697 /nfs/dbraw/zinc/23/66/97/608236697.db2.gz PZQVRVNVVPAKGG-UHFFFAOYSA-N -1 3 375.436 3.242 20 0 GGADHM COC(=O)C(C)(C)[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000826098870 608238103 /nfs/dbraw/zinc/23/81/03/608238103.db2.gz SBFDXMRHIPLIAO-CQSZACIVSA-N -1 3 394.479 3.139 20 0 GGADHM COC(=O)C(C)(C)[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000826098870 608238105 /nfs/dbraw/zinc/23/81/05/608238105.db2.gz SBFDXMRHIPLIAO-CQSZACIVSA-N -1 3 394.479 3.139 20 0 GGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000826189552 608239014 /nfs/dbraw/zinc/23/90/14/608239014.db2.gz YKTJLWAHXDWHSY-XCLFUZPHSA-N -1 3 390.447 3.034 20 0 GGADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000826189552 608239016 /nfs/dbraw/zinc/23/90/16/608239016.db2.gz YKTJLWAHXDWHSY-XCLFUZPHSA-N -1 3 390.447 3.034 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826189851 608239083 /nfs/dbraw/zinc/23/90/83/608239083.db2.gz HAWPSXAQTRMYIC-BFUOFWGJSA-N -1 3 394.479 3.337 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826189851 608239084 /nfs/dbraw/zinc/23/90/84/608239084.db2.gz HAWPSXAQTRMYIC-BFUOFWGJSA-N -1 3 394.479 3.337 20 0 GGADHM O=C(CSCc1cccc(F)c1Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826420744 608240273 /nfs/dbraw/zinc/24/02/73/608240273.db2.gz ZYLOLSMJVXQSDV-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM O=C(CSCc1cccc(F)c1Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826420744 608240274 /nfs/dbraw/zinc/24/02/74/608240274.db2.gz ZYLOLSMJVXQSDV-UHFFFAOYSA-N -1 3 391.859 3.209 20 0 GGADHM Fc1cccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1-c1nnn[n-]1 ZINC000826377436 608243200 /nfs/dbraw/zinc/24/32/00/608243200.db2.gz RWTASUYLNDFFQT-NSHDSACASA-N -1 3 394.332 3.077 20 0 GGADHM Fc1cccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1-c1nn[n-]n1 ZINC000826377436 608243201 /nfs/dbraw/zinc/24/32/01/608243201.db2.gz RWTASUYLNDFFQT-NSHDSACASA-N -1 3 394.332 3.077 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826247177 608250129 /nfs/dbraw/zinc/25/01/29/608250129.db2.gz VYFFBAHRCVZCFA-LJQANCHMSA-N -1 3 388.406 3.229 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826247177 608250130 /nfs/dbraw/zinc/25/01/30/608250130.db2.gz VYFFBAHRCVZCFA-LJQANCHMSA-N -1 3 388.406 3.229 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(F)c1Cl ZINC000824738711 608251458 /nfs/dbraw/zinc/25/14/58/608251458.db2.gz QVFHNEOTLUUAPF-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(F)cccc1Br ZINC000825977017 608259239 /nfs/dbraw/zinc/25/92/39/608259239.db2.gz VTPDOTOMXUTNQX-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(F)cccc1Br ZINC000825977017 608259241 /nfs/dbraw/zinc/25/92/41/608259241.db2.gz VTPDOTOMXUTNQX-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM O=C(C=C1CCSCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000826399683 608260729 /nfs/dbraw/zinc/26/07/29/608260729.db2.gz CGPLATCTILMESI-UHFFFAOYSA-N -1 3 397.426 3.211 20 0 GGADHM O=C(C=C1CCSCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000826399683 608260731 /nfs/dbraw/zinc/26/07/31/608260731.db2.gz CGPLATCTILMESI-UHFFFAOYSA-N -1 3 397.426 3.211 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826189026 608260813 /nfs/dbraw/zinc/26/08/13/608260813.db2.gz LUVFGGKHLLMPGB-FZKQIMNGSA-N -1 3 396.451 3.081 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826189026 608260816 /nfs/dbraw/zinc/26/08/16/608260816.db2.gz LUVFGGKHLLMPGB-FZKQIMNGSA-N -1 3 396.451 3.081 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000825687863 608260928 /nfs/dbraw/zinc/26/09/28/608260928.db2.gz MSHGBQXTVQRKFS-UHFFFAOYSA-N -1 3 393.476 3.452 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000825687863 608260929 /nfs/dbraw/zinc/26/09/29/608260929.db2.gz MSHGBQXTVQRKFS-UHFFFAOYSA-N -1 3 393.476 3.452 20 0 GGADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)c1C ZINC000500740062 608261881 /nfs/dbraw/zinc/26/18/81/608261881.db2.gz RQTRAUVOEZRQBU-UHFFFAOYSA-N -1 3 387.447 3.484 20 0 GGADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)c1C ZINC000500740062 608261885 /nfs/dbraw/zinc/26/18/85/608261885.db2.gz RQTRAUVOEZRQBU-UHFFFAOYSA-N -1 3 387.447 3.484 20 0 GGADHM CC(C)[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000824215017 608263008 /nfs/dbraw/zinc/26/30/08/608263008.db2.gz JKZKBJKDNBYXBY-SMDDNHRTSA-N -1 3 398.389 3.211 20 0 GGADHM CC(C)[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000824215017 608263010 /nfs/dbraw/zinc/26/30/10/608263010.db2.gz JKZKBJKDNBYXBY-SMDDNHRTSA-N -1 3 398.389 3.211 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C(F)(F)c1ccccc1F ZINC000826167137 608266813 /nfs/dbraw/zinc/26/68/13/608266813.db2.gz QUUWWHIAMOTMGF-UHFFFAOYSA-N -1 3 398.728 3.365 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C(F)(F)c1ccccc1F ZINC000826167137 608266817 /nfs/dbraw/zinc/26/68/17/608266817.db2.gz QUUWWHIAMOTMGF-UHFFFAOYSA-N -1 3 398.728 3.365 20 0 GGADHM CCc1cccnc1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825728748 608266966 /nfs/dbraw/zinc/26/69/66/608266966.db2.gz YIBBQSPMKJITKO-UHFFFAOYSA-N -1 3 391.460 3.124 20 0 GGADHM CCc1cccnc1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825728748 608266968 /nfs/dbraw/zinc/26/69/68/608266968.db2.gz YIBBQSPMKJITKO-UHFFFAOYSA-N -1 3 391.460 3.124 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000825609466 608267024 /nfs/dbraw/zinc/26/70/24/608267024.db2.gz MWFGUZNLCGLADO-KRWDZBQOSA-N -1 3 394.431 3.379 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000825609466 608267026 /nfs/dbraw/zinc/26/70/26/608267026.db2.gz MWFGUZNLCGLADO-KRWDZBQOSA-N -1 3 394.431 3.379 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](CO)c1ccc(Cl)cc1 ZINC000826452958 608270013 /nfs/dbraw/zinc/27/00/13/608270013.db2.gz PJLLKEVLJHAZHT-CQSZACIVSA-N -1 3 393.234 3.029 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](CO)c1ccc(Cl)cc1 ZINC000826452958 608270014 /nfs/dbraw/zinc/27/00/14/608270014.db2.gz PJLLKEVLJHAZHT-CQSZACIVSA-N -1 3 393.234 3.029 20 0 GGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826270269 608272971 /nfs/dbraw/zinc/27/29/71/608272971.db2.gz SJVFVFARALQQGG-AWEZNQCLSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826270269 608272973 /nfs/dbraw/zinc/27/29/73/608272973.db2.gz SJVFVFARALQQGG-AWEZNQCLSA-N -1 3 388.435 3.244 20 0 GGADHM c1ccc(N2CC[C@H](CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826522241 608275180 /nfs/dbraw/zinc/27/51/80/608275180.db2.gz SFEGMDBYAUKOJN-OAHLLOKOSA-N -1 3 375.480 3.079 20 0 GGADHM c1ccc(N2CC[C@H](CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)cc1 ZINC000826522241 608275181 /nfs/dbraw/zinc/27/51/81/608275181.db2.gz SFEGMDBYAUKOJN-OAHLLOKOSA-N -1 3 375.480 3.079 20 0 GGADHM CCCOC(=O)[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825332291 608276901 /nfs/dbraw/zinc/27/69/01/608276901.db2.gz GOVLYDXHGRLKBH-IBGZPJMESA-N -1 3 394.431 3.037 20 0 GGADHM CCCOC(=O)[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825332291 608276902 /nfs/dbraw/zinc/27/69/02/608276902.db2.gz GOVLYDXHGRLKBH-IBGZPJMESA-N -1 3 394.431 3.037 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000826274353 608286473 /nfs/dbraw/zinc/28/64/73/608286473.db2.gz OKIMRLVAHVKXPP-QGZVFWFLSA-N -1 3 384.871 3.174 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000826274353 608286475 /nfs/dbraw/zinc/28/64/75/608286475.db2.gz OKIMRLVAHVKXPP-QGZVFWFLSA-N -1 3 384.871 3.174 20 0 GGADHM CCOc1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1OC ZINC000825615697 608287827 /nfs/dbraw/zinc/28/78/27/608287827.db2.gz HEFWMTCFDJWDTO-UHFFFAOYSA-N -1 3 380.452 3.160 20 0 GGADHM CCOc1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1OC ZINC000825615697 608287828 /nfs/dbraw/zinc/28/78/28/608287828.db2.gz HEFWMTCFDJWDTO-UHFFFAOYSA-N -1 3 380.452 3.160 20 0 GGADHM Cn1ccc(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nnn[n-]2)n1 ZINC000826362922 608287979 /nfs/dbraw/zinc/28/79/79/608287979.db2.gz OIMQNBXZKWUUSM-VOTSOKGWSA-N -1 3 376.811 3.225 20 0 GGADHM Cn1ccc(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nn[n-]n2)n1 ZINC000826362922 608287981 /nfs/dbraw/zinc/28/79/81/608287981.db2.gz OIMQNBXZKWUUSM-VOTSOKGWSA-N -1 3 376.811 3.225 20 0 GGADHM CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n2ncnc2n1 ZINC000200866250 608293605 /nfs/dbraw/zinc/29/36/05/608293605.db2.gz NENHUNRSJLOLMV-UHFFFAOYSA-N -1 3 397.446 3.146 20 0 GGADHM CCc1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n2ncnc2n1 ZINC000200866250 608293607 /nfs/dbraw/zinc/29/36/07/608293607.db2.gz NENHUNRSJLOLMV-UHFFFAOYSA-N -1 3 397.446 3.146 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000826275278 608293986 /nfs/dbraw/zinc/29/39/86/608293986.db2.gz VIHDSZROOALRJQ-HNNXBMFYSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000826275278 608293988 /nfs/dbraw/zinc/29/39/88/608293988.db2.gz VIHDSZROOALRJQ-HNNXBMFYSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000826275279 608294298 /nfs/dbraw/zinc/29/42/98/608294298.db2.gz VIHDSZROOALRJQ-OAHLLOKOSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000826275279 608294299 /nfs/dbraw/zinc/29/42/99/608294299.db2.gz VIHDSZROOALRJQ-OAHLLOKOSA-N -1 3 390.369 3.167 20 0 GGADHM COCc1nc(C)cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826165421 608295750 /nfs/dbraw/zinc/29/57/50/608295750.db2.gz UKLYAFYLUCZFAN-UHFFFAOYSA-N -1 3 387.447 3.391 20 0 GGADHM COCc1nc(C)cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826165421 608295751 /nfs/dbraw/zinc/29/57/51/608295751.db2.gz UKLYAFYLUCZFAN-UHFFFAOYSA-N -1 3 387.447 3.391 20 0 GGADHM CN(C(=O)c1c[nH]c2cccc(Br)c12)c1cccc(-c2nnn[n-]2)c1 ZINC000825826064 608299567 /nfs/dbraw/zinc/29/95/67/608299567.db2.gz UUQOSUZLXNMDEN-UHFFFAOYSA-N -1 3 397.236 3.387 20 0 GGADHM CN(C(=O)c1c[nH]c2cccc(Br)c12)c1cccc(-c2nn[n-]n2)c1 ZINC000825826064 608299569 /nfs/dbraw/zinc/29/95/69/608299569.db2.gz UUQOSUZLXNMDEN-UHFFFAOYSA-N -1 3 397.236 3.387 20 0 GGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825830535 608301547 /nfs/dbraw/zinc/30/15/47/608301547.db2.gz VGCOMUMRYCHVDV-MRXNPFEDSA-N -1 3 381.411 3.176 20 0 GGADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825830535 608301548 /nfs/dbraw/zinc/30/15/48/608301548.db2.gz VGCOMUMRYCHVDV-MRXNPFEDSA-N -1 3 381.411 3.176 20 0 GGADHM CCc1c(C)sc(NC(=O)Cc2ccc(Cl)nc2C)c1-c1nnn[n-]1 ZINC000825686969 608305046 /nfs/dbraw/zinc/30/50/46/608305046.db2.gz CQXFFCRBHZQAMA-UHFFFAOYSA-N -1 3 376.873 3.337 20 0 GGADHM CCc1c(C)sc(NC(=O)Cc2ccc(Cl)nc2C)c1-c1nn[n-]n1 ZINC000825686969 608305048 /nfs/dbraw/zinc/30/50/48/608305048.db2.gz CQXFFCRBHZQAMA-UHFFFAOYSA-N -1 3 376.873 3.337 20 0 GGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([C@H]2CCCOC2)c1 ZINC000826464321 608310327 /nfs/dbraw/zinc/31/03/27/608310327.db2.gz RVXCPXQUDVMTFN-INIZCTEOSA-N -1 3 382.395 3.257 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([C@H]2CCCOC2)c1 ZINC000826464321 608310329 /nfs/dbraw/zinc/31/03/29/608310329.db2.gz RVXCPXQUDVMTFN-INIZCTEOSA-N -1 3 382.395 3.257 20 0 GGADHM COCc1nc(CNCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000826165734 608310558 /nfs/dbraw/zinc/31/05/58/608310558.db2.gz IEFZWXVYIHJMFZ-UHFFFAOYSA-N -1 3 392.488 3.426 20 0 GGADHM COCc1nc(CNCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000826165734 608310560 /nfs/dbraw/zinc/31/05/60/608310560.db2.gz IEFZWXVYIHJMFZ-UHFFFAOYSA-N -1 3 392.488 3.426 20 0 GGADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000824514000 608312208 /nfs/dbraw/zinc/31/22/08/608312208.db2.gz LHGNPWBRXTVXBQ-QWRGUYRKSA-N -1 3 390.369 3.203 20 0 GGADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824514000 608312210 /nfs/dbraw/zinc/31/22/10/608312210.db2.gz LHGNPWBRXTVXBQ-QWRGUYRKSA-N -1 3 390.369 3.203 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826331903 608312887 /nfs/dbraw/zinc/31/28/87/608312887.db2.gz CJRRHROPGJRZOS-INIZCTEOSA-N -1 3 375.436 3.291 20 0 GGADHM CC(C)c1ccc(C[C@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824447713 608313491 /nfs/dbraw/zinc/31/34/91/608313491.db2.gz BHXWWUQJSLDDKF-HNNXBMFYSA-N -1 3 379.464 3.116 20 0 GGADHM CC(C)c1ccc(C[C@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824447713 608313493 /nfs/dbraw/zinc/31/34/93/608313493.db2.gz BHXWWUQJSLDDKF-HNNXBMFYSA-N -1 3 379.464 3.116 20 0 GGADHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000824480104 608314275 /nfs/dbraw/zinc/31/42/75/608314275.db2.gz SXIFRCBYPAPSRA-NSHDSACASA-N -1 3 389.431 3.256 20 0 GGADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000824480104 608314277 /nfs/dbraw/zinc/31/42/77/608314277.db2.gz SXIFRCBYPAPSRA-NSHDSACASA-N -1 3 389.431 3.256 20 0 GGADHM Cc1nnc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000826336201 608320511 /nfs/dbraw/zinc/32/05/11/608320511.db2.gz RBWAEYCXRSZMIS-UHFFFAOYSA-N -1 3 393.432 3.127 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(F)c(Cl)c1F ZINC000826172463 608320721 /nfs/dbraw/zinc/32/07/21/608320721.db2.gz IBCXPPZPAMEAKT-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(F)c(Cl)c1F ZINC000826172463 608320723 /nfs/dbraw/zinc/32/07/23/608320723.db2.gz IBCXPPZPAMEAKT-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1ccc(COC(=O)c2ccc(F)c(Cl)c2F)cc1-c1nnn[n-]1 ZINC000826206132 608320983 /nfs/dbraw/zinc/32/09/83/608320983.db2.gz FEUIMPRWKAYPMH-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1ccc(COC(=O)c2ccc(F)c(Cl)c2F)cc1-c1nn[n-]n1 ZINC000826206132 608320985 /nfs/dbraw/zinc/32/09/85/608320985.db2.gz FEUIMPRWKAYPMH-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(C(=O)N2CCCC2)c1C ZINC000826170916 608321169 /nfs/dbraw/zinc/32/11/69/608321169.db2.gz VFTJHKFMYQSELT-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(C(=O)N2CCCC2)c1C ZINC000826170916 608321171 /nfs/dbraw/zinc/32/11/71/608321171.db2.gz VFTJHKFMYQSELT-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cccc(C(=O)N(C)C)c1 ZINC000826173384 608322588 /nfs/dbraw/zinc/32/25/88/608322588.db2.gz BDGRDQWPHMKXGR-UHFFFAOYSA-N -1 3 383.477 3.011 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cccc(C(=O)N(C)C)c1 ZINC000826173384 608322591 /nfs/dbraw/zinc/32/25/91/608322591.db2.gz BDGRDQWPHMKXGR-UHFFFAOYSA-N -1 3 383.477 3.011 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccccc1OCC(F)(F)F ZINC000826173707 608324277 /nfs/dbraw/zinc/32/42/77/608324277.db2.gz QQTNNULVEBMDEG-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccccc1OCC(F)(F)F ZINC000826173707 608324279 /nfs/dbraw/zinc/32/42/79/608324279.db2.gz QQTNNULVEBMDEG-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM CC(C)c1ccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000824347667 608324727 /nfs/dbraw/zinc/32/47/27/608324727.db2.gz JUMOACRLHAQSIK-UHFFFAOYSA-N -1 3 376.413 3.038 20 0 GGADHM CC(C)c1ccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000824347667 608324729 /nfs/dbraw/zinc/32/47/29/608324729.db2.gz JUMOACRLHAQSIK-UHFFFAOYSA-N -1 3 376.413 3.038 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824080638 608326141 /nfs/dbraw/zinc/32/61/41/608326141.db2.gz YUVZGSNOBZHCPS-GDBMZVCRSA-N -1 3 395.504 3.030 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824080638 608326143 /nfs/dbraw/zinc/32/61/43/608326143.db2.gz YUVZGSNOBZHCPS-GDBMZVCRSA-N -1 3 395.504 3.030 20 0 GGADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824857104 608327628 /nfs/dbraw/zinc/32/76/28/608327628.db2.gz AUHZYCFQSUXPCN-KSSFIOAISA-N -1 3 389.459 3.155 20 0 GGADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824857104 608327630 /nfs/dbraw/zinc/32/76/30/608327630.db2.gz AUHZYCFQSUXPCN-KSSFIOAISA-N -1 3 389.459 3.155 20 0 GGADHM CCCN(CC1CCCCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825313448 608328177 /nfs/dbraw/zinc/32/81/77/608328177.db2.gz FXECVUWGCZUSBG-UHFFFAOYSA-N -1 3 395.504 3.128 20 0 GGADHM CCCN(CC1CCCCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825313448 608328179 /nfs/dbraw/zinc/32/81/79/608328179.db2.gz FXECVUWGCZUSBG-UHFFFAOYSA-N -1 3 395.504 3.128 20 0 GGADHM O=C(CCc1cscn1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826409074 608328798 /nfs/dbraw/zinc/32/87/98/608328798.db2.gz HMRFOSCMELNLIL-UHFFFAOYSA-N -1 3 390.472 3.239 20 0 GGADHM O=C(CCc1cscn1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409074 608328799 /nfs/dbraw/zinc/32/87/99/608328799.db2.gz HMRFOSCMELNLIL-UHFFFAOYSA-N -1 3 390.472 3.239 20 0 GGADHM CC(C)CO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824266768 608329158 /nfs/dbraw/zinc/32/91/58/608329158.db2.gz PXMBHNJVJQZOIV-HNNXBMFYSA-N -1 3 379.464 3.211 20 0 GGADHM CC(C)CO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824266768 608329161 /nfs/dbraw/zinc/32/91/61/608329161.db2.gz PXMBHNJVJQZOIV-HNNXBMFYSA-N -1 3 379.464 3.211 20 0 GGADHM Cc1cnc(CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826317496 608329867 /nfs/dbraw/zinc/32/98/67/608329867.db2.gz FFSMXNZVYMAAPC-UHFFFAOYSA-N -1 3 390.472 3.158 20 0 GGADHM Cc1cnc(CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826317496 608329869 /nfs/dbraw/zinc/32/98/69/608329869.db2.gz FFSMXNZVYMAAPC-UHFFFAOYSA-N -1 3 390.472 3.158 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825736289 608331787 /nfs/dbraw/zinc/33/17/87/608331787.db2.gz YWCNWRVOHZFZPZ-AUUYWEPGSA-N -1 3 394.479 3.105 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825736289 608331789 /nfs/dbraw/zinc/33/17/89/608331789.db2.gz YWCNWRVOHZFZPZ-AUUYWEPGSA-N -1 3 394.479 3.105 20 0 GGADHM COCCc1nc(C)c([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826163517 608333322 /nfs/dbraw/zinc/33/33/22/608333322.db2.gz XYIQQMLNOIXQNJ-LJTDUEICSA-N -1 3 399.476 3.138 20 0 GGADHM COCCc1nc(C)c([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000826163517 608333323 /nfs/dbraw/zinc/33/33/23/608333323.db2.gz XYIQQMLNOIXQNJ-LJTDUEICSA-N -1 3 399.476 3.138 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H](C)c1cnccc1C ZINC000826175899 608334563 /nfs/dbraw/zinc/33/45/63/608334563.db2.gz ULUYNZYXHSBONX-AWEZNQCLSA-N -1 3 397.435 3.042 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H](C)c1cnccc1C ZINC000826175899 608334564 /nfs/dbraw/zinc/33/45/64/608334564.db2.gz ULUYNZYXHSBONX-AWEZNQCLSA-N -1 3 397.435 3.042 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825119539 608337022 /nfs/dbraw/zinc/33/70/22/608337022.db2.gz DSGHXCBPMDYIIG-ZDUSSCGKSA-N -1 3 378.502 3.259 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825119539 608337025 /nfs/dbraw/zinc/33/70/25/608337025.db2.gz DSGHXCBPMDYIIG-ZDUSSCGKSA-N -1 3 378.502 3.259 20 0 GGADHM CC(C)(C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C1CCCCC1 ZINC000824059522 608338438 /nfs/dbraw/zinc/33/84/38/608338438.db2.gz ZMGVTASCXNOMSN-GOSISDBHSA-N -1 3 383.496 3.373 20 0 GGADHM CC(C)(C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C1CCCCC1 ZINC000824059522 608338440 /nfs/dbraw/zinc/33/84/40/608338440.db2.gz ZMGVTASCXNOMSN-GOSISDBHSA-N -1 3 383.496 3.373 20 0 GGADHM CC(C)(C)OC(=O)CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824100281 608338582 /nfs/dbraw/zinc/33/85/82/608338582.db2.gz PKEIMZHDWHIIJT-UHFFFAOYSA-N -1 3 394.863 3.154 20 0 GGADHM CC(C)(C)OC(=O)CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824100281 608338584 /nfs/dbraw/zinc/33/85/84/608338584.db2.gz PKEIMZHDWHIIJT-UHFFFAOYSA-N -1 3 394.863 3.154 20 0 GGADHM O=C(Nc1ccc(F)cc1OCC(F)F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826454825 608339783 /nfs/dbraw/zinc/33/97/83/608339783.db2.gz MMARUWUBSQUAPE-UHFFFAOYSA-N -1 3 396.304 3.433 20 0 GGADHM O=C(Nc1ccc(F)cc1OCC(F)F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826454825 608339785 /nfs/dbraw/zinc/33/97/85/608339785.db2.gz MMARUWUBSQUAPE-UHFFFAOYSA-N -1 3 396.304 3.433 20 0 GGADHM CCN(C(=O)c1cc(C)nc2n[nH]c(C)c21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380841 608341799 /nfs/dbraw/zinc/34/17/99/608341799.db2.gz VJLHLPYLBPCOBW-UHFFFAOYSA-N -1 3 396.842 3.075 20 0 GGADHM CCN(C(=O)c1cc(C)nc2n[nH]c(C)c21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380841 608341800 /nfs/dbraw/zinc/34/18/00/608341800.db2.gz VJLHLPYLBPCOBW-UHFFFAOYSA-N -1 3 396.842 3.075 20 0 GGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(F)c1F ZINC000824498018 608341904 /nfs/dbraw/zinc/34/19/04/608341904.db2.gz BZRJESGMLIMJBG-LLVKDONJSA-N -1 3 384.390 3.194 20 0 GGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(F)c1F ZINC000824498018 608341906 /nfs/dbraw/zinc/34/19/06/608341906.db2.gz BZRJESGMLIMJBG-LLVKDONJSA-N -1 3 384.390 3.194 20 0 GGADHM CCN(C(=O)CCc1csc(C)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371555 608343982 /nfs/dbraw/zinc/34/39/82/608343982.db2.gz IHEFXPRXGOPMMR-UHFFFAOYSA-N -1 3 376.873 3.271 20 0 GGADHM CCN(C(=O)CCc1csc(C)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371555 608343984 /nfs/dbraw/zinc/34/39/84/608343984.db2.gz IHEFXPRXGOPMMR-UHFFFAOYSA-N -1 3 376.873 3.271 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000826172714 608344539 /nfs/dbraw/zinc/34/45/39/608344539.db2.gz ULXBMWBDLKOWQI-UHFFFAOYSA-N -1 3 398.419 3.028 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000826172714 608344541 /nfs/dbraw/zinc/34/45/41/608344541.db2.gz ULXBMWBDLKOWQI-UHFFFAOYSA-N -1 3 398.419 3.028 20 0 GGADHM CCN(C(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367274 608346954 /nfs/dbraw/zinc/34/69/54/608346954.db2.gz MLMQOICTHOSKKL-MRXNPFEDSA-N -1 3 387.802 3.016 20 0 GGADHM CCN(C(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367274 608346951 /nfs/dbraw/zinc/34/69/51/608346951.db2.gz MLMQOICTHOSKKL-MRXNPFEDSA-N -1 3 387.802 3.016 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000826172111 608347479 /nfs/dbraw/zinc/34/74/79/608347479.db2.gz NQXOLFKSSFPFPP-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000826172111 608347481 /nfs/dbraw/zinc/34/74/81/608347481.db2.gz NQXOLFKSSFPFPP-UHFFFAOYSA-N -1 3 380.738 3.164 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCOc1ccccc1C ZINC000826171526 608347588 /nfs/dbraw/zinc/34/75/88/608347588.db2.gz PYOPXYBZISFTGM-UHFFFAOYSA-N -1 3 382.420 3.086 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCOc1ccccc1C ZINC000826171526 608347590 /nfs/dbraw/zinc/34/75/90/608347590.db2.gz PYOPXYBZISFTGM-UHFFFAOYSA-N -1 3 382.420 3.086 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826171436 608351082 /nfs/dbraw/zinc/35/10/82/608351082.db2.gz NOTCNMKQQROZEM-KBPBESRZSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826171436 608351084 /nfs/dbraw/zinc/35/10/84/608351084.db2.gz NOTCNMKQQROZEM-KBPBESRZSA-N -1 3 386.358 3.000 20 0 GGADHM CCc1onc(C)c1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825777597 608351848 /nfs/dbraw/zinc/35/18/48/608351848.db2.gz ZKPSWSOMVZNBSV-UHFFFAOYSA-N -1 3 388.431 3.323 20 0 GGADHM CCc1onc(C)c1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825777597 608351850 /nfs/dbraw/zinc/35/18/50/608351850.db2.gz ZKPSWSOMVZNBSV-UHFFFAOYSA-N -1 3 388.431 3.323 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824874324 608355885 /nfs/dbraw/zinc/35/58/85/608355885.db2.gz BZJJCJVPPMBQKY-LSDHHAIUSA-N -1 3 376.464 3.474 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824874324 608355888 /nfs/dbraw/zinc/35/58/88/608355888.db2.gz BZJJCJVPPMBQKY-LSDHHAIUSA-N -1 3 376.464 3.474 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000824947539 608358416 /nfs/dbraw/zinc/35/84/16/608358416.db2.gz OKKRIFNLSUZWHS-GJZGRUSLSA-N -1 3 376.464 3.474 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000824947539 608358418 /nfs/dbraw/zinc/35/84/18/608358418.db2.gz OKKRIFNLSUZWHS-GJZGRUSLSA-N -1 3 376.464 3.474 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)CCOc1ccccc1 ZINC000826170848 608361352 /nfs/dbraw/zinc/36/13/52/608361352.db2.gz RLUWDKOAFFUVAS-CQSZACIVSA-N -1 3 382.420 3.024 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)CCOc1ccccc1 ZINC000826170848 608361353 /nfs/dbraw/zinc/36/13/53/608361353.db2.gz RLUWDKOAFFUVAS-CQSZACIVSA-N -1 3 382.420 3.024 20 0 GGADHM O=C(NCCNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826438314 608365512 /nfs/dbraw/zinc/36/55/12/608365512.db2.gz XYWIMLIPXDTXJD-UHFFFAOYSA-N -1 3 377.235 3.015 20 0 GGADHM O=C(NCCNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826438314 608365514 /nfs/dbraw/zinc/36/55/14/608365514.db2.gz XYWIMLIPXDTXJD-UHFFFAOYSA-N -1 3 377.235 3.015 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCCNc3ccccn3)c2c1 ZINC000826372896 608370705 /nfs/dbraw/zinc/37/07/05/608370705.db2.gz QCFVACKNCNLYNG-UHFFFAOYSA-N -1 3 382.378 3.002 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCCNc3ccccn3)c2c1 ZINC000826372896 608370706 /nfs/dbraw/zinc/37/07/06/608370706.db2.gz QCFVACKNCNLYNG-UHFFFAOYSA-N -1 3 382.378 3.002 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000826374822 608372053 /nfs/dbraw/zinc/37/20/53/608372053.db2.gz NMZXUFGIGHNSPC-SNVBAGLBSA-N -1 3 398.833 3.315 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000826374822 608372055 /nfs/dbraw/zinc/37/20/55/608372055.db2.gz NMZXUFGIGHNSPC-SNVBAGLBSA-N -1 3 398.833 3.315 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccnc(Cl)c1F ZINC000826465360 608375188 /nfs/dbraw/zinc/37/51/88/608375188.db2.gz JRMLAVWRAOFMPF-UHFFFAOYSA-N -1 3 399.716 3.013 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccnc(Cl)c1F ZINC000826465360 608375190 /nfs/dbraw/zinc/37/51/90/608375190.db2.gz JRMLAVWRAOFMPF-UHFFFAOYSA-N -1 3 399.716 3.013 20 0 GGADHM Cc1oc(NC(=O)COC(=O)C(C)(C)C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000826342310 608381165 /nfs/dbraw/zinc/38/11/65/608381165.db2.gz FRUKTULTONBJKH-UHFFFAOYSA-N -1 3 389.456 3.165 20 0 GGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826483213 608387851 /nfs/dbraw/zinc/38/78/51/608387851.db2.gz FSTVGMSDXMSOJD-WZUFQYTHSA-N -1 3 386.184 3.261 20 0 GGADHM O=C1Nc2cc(Br)ccc2C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826483213 608387853 /nfs/dbraw/zinc/38/78/53/608387853.db2.gz FSTVGMSDXMSOJD-WZUFQYTHSA-N -1 3 386.184 3.261 20 0 GGADHM CCCCCn1cc(CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000825276082 608396740 /nfs/dbraw/zinc/39/67/40/608396740.db2.gz OPUUXYQWDIWPGD-AWEZNQCLSA-N -1 3 396.499 3.122 20 0 GGADHM CCCCCn1cc(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000825276082 608396741 /nfs/dbraw/zinc/39/67/41/608396741.db2.gz OPUUXYQWDIWPGD-AWEZNQCLSA-N -1 3 396.499 3.122 20 0 GGADHM Fc1c(CSc2nnc(-c3cccnc3)n2C2CC2)cccc1-c1nnn[n-]1 ZINC000826371542 608397078 /nfs/dbraw/zinc/39/70/78/608397078.db2.gz KGTDNEAJMGTXPT-UHFFFAOYSA-N -1 3 394.439 3.287 20 0 GGADHM Fc1c(CSc2nnc(-c3cccnc3)n2C2CC2)cccc1-c1nn[n-]n1 ZINC000826371542 608397079 /nfs/dbraw/zinc/39/70/79/608397079.db2.gz KGTDNEAJMGTXPT-UHFFFAOYSA-N -1 3 394.439 3.287 20 0 GGADHM Cc1ccc(S(=O)(=O)CCCOc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826292961 608400064 /nfs/dbraw/zinc/40/00/64/608400064.db2.gz VBUWLEXOCTUOOL-UHFFFAOYSA-N -1 3 392.868 3.071 20 0 GGADHM Cc1ccc(S(=O)(=O)CCCOc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826292961 608400065 /nfs/dbraw/zinc/40/00/65/608400065.db2.gz VBUWLEXOCTUOOL-UHFFFAOYSA-N -1 3 392.868 3.071 20 0 GGADHM Cc1ccsc1CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826316146 608400688 /nfs/dbraw/zinc/40/06/88/608400688.db2.gz DVEWXLZCCAQSRI-UHFFFAOYSA-N -1 3 380.477 3.236 20 0 GGADHM Cc1ccsc1CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826316146 608400691 /nfs/dbraw/zinc/40/06/91/608400691.db2.gz DVEWXLZCCAQSRI-UHFFFAOYSA-N -1 3 380.477 3.236 20 0 GGADHM O=C(NC/C=C\c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826435036 608409005 /nfs/dbraw/zinc/40/90/05/608409005.db2.gz FEKUVPAHQNOHOI-DAXSKMNVSA-N -1 3 386.459 3.379 20 0 GGADHM O=C(NC/C=C\c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826435036 608409008 /nfs/dbraw/zinc/40/90/08/608409008.db2.gz FEKUVPAHQNOHOI-DAXSKMNVSA-N -1 3 386.459 3.379 20 0 GGADHM C[C@H](c1cccc(F)c1)N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000824771154 608412585 /nfs/dbraw/zinc/41/25/85/608412585.db2.gz PRQDSCWOHAMYNU-CQSZACIVSA-N -1 3 384.434 3.024 20 0 GGADHM C[C@H](c1cccc(F)c1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000824771154 608412586 /nfs/dbraw/zinc/41/25/86/608412586.db2.gz PRQDSCWOHAMYNU-CQSZACIVSA-N -1 3 384.434 3.024 20 0 GGADHM C[C@@]1(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCCc2ccccc21 ZINC000824822733 608417480 /nfs/dbraw/zinc/41/74/80/608417480.db2.gz HCXRVUUQHSKIID-NRFANRHFSA-N -1 3 394.454 3.099 20 0 GGADHM C[C@@]1(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCCc2ccccc21 ZINC000824822733 608417482 /nfs/dbraw/zinc/41/74/82/608417482.db2.gz HCXRVUUQHSKIID-NRFANRHFSA-N -1 3 394.454 3.099 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826198744 608419145 /nfs/dbraw/zinc/41/91/45/608419145.db2.gz HLEMFFNLJNNUGX-NSHDSACASA-N -1 3 386.843 3.089 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826198744 608419148 /nfs/dbraw/zinc/41/91/48/608419148.db2.gz HLEMFFNLJNNUGX-NSHDSACASA-N -1 3 386.843 3.089 20 0 GGADHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000825143469 608430470 /nfs/dbraw/zinc/43/04/70/608430470.db2.gz VMDBHGQNQCQZOW-IAGOWNOFSA-N -1 3 385.855 3.475 20 0 GGADHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825143469 608430472 /nfs/dbraw/zinc/43/04/72/608430472.db2.gz VMDBHGQNQCQZOW-IAGOWNOFSA-N -1 3 385.855 3.475 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000825142938 608435236 /nfs/dbraw/zinc/43/52/36/608435236.db2.gz UGZXUFXWIBNXCV-IRXDYDNUSA-N -1 3 385.855 3.475 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000825142938 608435238 /nfs/dbraw/zinc/43/52/38/608435238.db2.gz UGZXUFXWIBNXCV-IRXDYDNUSA-N -1 3 385.855 3.475 20 0 GGADHM Cc1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000826282847 608436933 /nfs/dbraw/zinc/43/69/33/608436933.db2.gz DIDCTJOXDOFITC-AWEZNQCLSA-N -1 3 375.436 3.384 20 0 GGADHM Cc1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000826282847 608436934 /nfs/dbraw/zinc/43/69/34/608436934.db2.gz DIDCTJOXDOFITC-AWEZNQCLSA-N -1 3 375.436 3.384 20 0 GGADHM O=C(CCC(=O)c1ccc(Cl)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405234 608437454 /nfs/dbraw/zinc/43/74/54/608437454.db2.gz ZNQYNCRLWHMYLH-UHFFFAOYSA-N -1 3 388.786 3.366 20 0 GGADHM O=C(CCC(=O)c1ccc(Cl)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405234 608437456 /nfs/dbraw/zinc/43/74/56/608437456.db2.gz ZNQYNCRLWHMYLH-UHFFFAOYSA-N -1 3 388.786 3.366 20 0 GGADHM CCOc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825653310 608438141 /nfs/dbraw/zinc/43/81/41/608438141.db2.gz AFYAHFIIUUQCED-CHWSQXEVSA-N -1 3 398.467 3.153 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1csc(-c2ccccc2)n1 ZINC000826466740 608440847 /nfs/dbraw/zinc/44/08/47/608440847.db2.gz RAKXVWCRXIYLKQ-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1csc(-c2ccccc2)n1 ZINC000826466740 608440849 /nfs/dbraw/zinc/44/08/49/608440849.db2.gz RAKXVWCRXIYLKQ-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(C)n1-c1nccs1 ZINC000826261450 608440963 /nfs/dbraw/zinc/44/09/63/608440963.db2.gz GATRRVPTLBYGQH-UHFFFAOYSA-N -1 3 398.423 3.227 20 0 GGADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(C)n1-c1nccs1 ZINC000826261450 608440964 /nfs/dbraw/zinc/44/09/64/608440964.db2.gz GATRRVPTLBYGQH-UHFFFAOYSA-N -1 3 398.423 3.227 20 0 GGADHM Cc1cc(C(F)(F)F)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nn1 ZINC000826262088 608442072 /nfs/dbraw/zinc/44/20/72/608442072.db2.gz DOYZRCWGUYOZMD-UHFFFAOYSA-N -1 3 387.369 3.278 20 0 GGADHM Cc1cc(C(F)(F)F)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000826262088 608442073 /nfs/dbraw/zinc/44/20/73/608442073.db2.gz DOYZRCWGUYOZMD-UHFFFAOYSA-N -1 3 387.369 3.278 20 0 GGADHM CC(C)Oc1ncc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000824338156 608442591 /nfs/dbraw/zinc/44/25/91/608442591.db2.gz QRBNDJAUIGPSPY-UHFFFAOYSA-N -1 3 391.790 3.198 20 0 GGADHM CC(C)Oc1ncc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1Cl ZINC000824338156 608442593 /nfs/dbraw/zinc/44/25/93/608442593.db2.gz QRBNDJAUIGPSPY-UHFFFAOYSA-N -1 3 391.790 3.198 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(N2CCCCCC2)nc1 ZINC000826466486 608442646 /nfs/dbraw/zinc/44/26/46/608442646.db2.gz FRXUYIXPSMTOIV-UHFFFAOYSA-N -1 3 396.426 3.138 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(N2CCCCCC2)nc1 ZINC000826466486 608442647 /nfs/dbraw/zinc/44/26/47/608442647.db2.gz FRXUYIXPSMTOIV-UHFFFAOYSA-N -1 3 396.426 3.138 20 0 GGADHM O=C(COc1ccc(C(F)(F)F)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826417885 608443659 /nfs/dbraw/zinc/44/36/59/608443659.db2.gz JZEWIAOXQVWADB-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(COc1ccc(C(F)(F)F)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826417885 608443660 /nfs/dbraw/zinc/44/36/60/608443660.db2.gz JZEWIAOXQVWADB-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(Br)cs1 ZINC000826465820 608445459 /nfs/dbraw/zinc/44/54/59/608445459.db2.gz DVONNIYUFDKHNA-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(Br)cs1 ZINC000826465820 608445461 /nfs/dbraw/zinc/44/54/61/608445461.db2.gz DVONNIYUFDKHNA-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(Cc1ccc(Br)s1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826422621 608448895 /nfs/dbraw/zinc/44/88/95/608448895.db2.gz GGIJUBVPJFRLQU-UHFFFAOYSA-N -1 3 397.229 3.116 20 0 GGADHM O=C(Cc1ccc(Br)s1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826422621 608448897 /nfs/dbraw/zinc/44/88/97/608448897.db2.gz GGIJUBVPJFRLQU-UHFFFAOYSA-N -1 3 397.229 3.116 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3cccc(-c4nnn[n-]4)c3F)c2c1 ZINC000826293634 608450145 /nfs/dbraw/zinc/45/01/45/608450145.db2.gz WPOXPQGZAGFKFQ-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3cccc(-c4nn[n-]n4)c3F)c2c1 ZINC000826293634 608450147 /nfs/dbraw/zinc/45/01/47/608450147.db2.gz WPOXPQGZAGFKFQ-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826395934 608450236 /nfs/dbraw/zinc/45/02/36/608450236.db2.gz ZINMVPCXKZTVRR-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826395934 608450238 /nfs/dbraw/zinc/45/02/38/608450238.db2.gz ZINMVPCXKZTVRR-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Cc1cccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1Br ZINC000826295844 608454627 /nfs/dbraw/zinc/45/46/27/608454627.db2.gz AGTIRRDDKVAZHK-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM Cc1cccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1Br ZINC000826295844 608454630 /nfs/dbraw/zinc/45/46/30/608454630.db2.gz AGTIRRDDKVAZHK-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM c1cn(C2CCCC2)nc1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823867514 608461188 /nfs/dbraw/zinc/46/11/88/608461188.db2.gz BPAXXEOSPAUIRY-UHFFFAOYSA-N -1 3 375.480 3.468 20 0 GGADHM c1cn(C2CCCC2)nc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823867514 608461189 /nfs/dbraw/zinc/46/11/89/608461189.db2.gz BPAXXEOSPAUIRY-UHFFFAOYSA-N -1 3 375.480 3.468 20 0 GGADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824935369 608465358 /nfs/dbraw/zinc/46/53/58/608465358.db2.gz AHKOQYRJOPIDMY-JXXFODFXSA-N -1 3 394.523 3.039 20 0 GGADHM Cc1cc(C)cc(NC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264517 608465817 /nfs/dbraw/zinc/46/58/17/608465817.db2.gz RCCAXPARCDGSKZ-UHFFFAOYSA-N -1 3 388.475 3.211 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824632997 608468148 /nfs/dbraw/zinc/46/81/48/608468148.db2.gz GFSPCGWWVPRUOL-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824632997 608468149 /nfs/dbraw/zinc/46/81/49/608468149.db2.gz GFSPCGWWVPRUOL-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM CCCCCn1cc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(C)n1 ZINC000825275948 608470350 /nfs/dbraw/zinc/47/03/50/608470350.db2.gz JDDKBJFVPLEHRA-UHFFFAOYSA-N -1 3 382.472 3.192 20 0 GGADHM CCCCCn1cc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(C)n1 ZINC000825275948 608470351 /nfs/dbraw/zinc/47/03/51/608470351.db2.gz JDDKBJFVPLEHRA-UHFFFAOYSA-N -1 3 382.472 3.192 20 0 GGADHM CN(C)c1ccccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825883006 608470823 /nfs/dbraw/zinc/47/08/23/608470823.db2.gz AMRSNEFNYLKIMH-UHFFFAOYSA-N -1 3 389.463 3.254 20 0 GGADHM CN(C)c1ccccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825883006 608470825 /nfs/dbraw/zinc/47/08/25/608470825.db2.gz AMRSNEFNYLKIMH-UHFFFAOYSA-N -1 3 389.463 3.254 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1COc1cc(Cl)cnc1Br ZINC000826373679 608471343 /nfs/dbraw/zinc/47/13/43/608471343.db2.gz VZTFJHRDNVMBNL-UHFFFAOYSA-N -1 3 384.596 3.396 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1COc1cc(Cl)cnc1Br ZINC000826373679 608471344 /nfs/dbraw/zinc/47/13/44/608471344.db2.gz VZTFJHRDNVMBNL-UHFFFAOYSA-N -1 3 384.596 3.396 20 0 GGADHM CCOc1cccc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000825648954 608471777 /nfs/dbraw/zinc/47/17/77/608471777.db2.gz HQYJLQMXDJODQC-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM CCOc1cccc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000825648954 608471779 /nfs/dbraw/zinc/47/17/79/608471779.db2.gz HQYJLQMXDJODQC-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM Cc1ocnc1CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826343013 608477999 /nfs/dbraw/zinc/47/79/99/608477999.db2.gz IZTXKPWEHRGVOG-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM Cc1ocnc1CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826343013 608478000 /nfs/dbraw/zinc/47/80/00/608478000.db2.gz IZTXKPWEHRGVOG-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1F ZINC000824040149 608482723 /nfs/dbraw/zinc/48/27/23/608482723.db2.gz LTDVXWFPCKBMIR-CQSZACIVSA-N -1 3 377.423 3.425 20 0 GGADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1F ZINC000824040149 608482724 /nfs/dbraw/zinc/48/27/24/608482724.db2.gz LTDVXWFPCKBMIR-CQSZACIVSA-N -1 3 377.423 3.425 20 0 GGADHM CCc1cccc(OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825722039 608483031 /nfs/dbraw/zinc/48/30/31/608483031.db2.gz CQDAFUIXZSHPJF-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM CCc1cccc(OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000825722039 608483032 /nfs/dbraw/zinc/48/30/32/608483032.db2.gz CQDAFUIXZSHPJF-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM Cn1ccc2c1cccc2C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826363597 608483680 /nfs/dbraw/zinc/48/36/80/608483680.db2.gz UFTYDDHEFJTWDO-UHFFFAOYSA-N -1 3 384.443 3.288 20 0 GGADHM Cn1ccc2c1cccc2C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826363597 608483681 /nfs/dbraw/zinc/48/36/81/608483681.db2.gz UFTYDDHEFJTWDO-UHFFFAOYSA-N -1 3 384.443 3.288 20 0 GGADHM O=C(c1cc(F)c(F)c(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470573 608484383 /nfs/dbraw/zinc/48/43/83/608484383.db2.gz VGOYQGJQXZYMFZ-UHFFFAOYSA-N -1 3 385.349 3.214 20 0 GGADHM O=C(c1cc(F)c(F)c(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470573 608484384 /nfs/dbraw/zinc/48/43/84/608484384.db2.gz VGOYQGJQXZYMFZ-UHFFFAOYSA-N -1 3 385.349 3.214 20 0 GGADHM O=C(COc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826417950 608485588 /nfs/dbraw/zinc/48/55/88/608485588.db2.gz LWLZVNSJJDMPHT-UHFFFAOYSA-N -1 3 395.850 3.215 20 0 GGADHM O=C(COc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826417950 608485589 /nfs/dbraw/zinc/48/55/89/608485589.db2.gz LWLZVNSJJDMPHT-UHFFFAOYSA-N -1 3 395.850 3.215 20 0 GGADHM O=C(Cc1cccc(F)c1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826423574 608487215 /nfs/dbraw/zinc/48/72/15/608487215.db2.gz VXBPEHRGEARBMV-UHFFFAOYSA-N -1 3 381.386 3.003 20 0 GGADHM O=C(Cc1cccc(F)c1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826423574 608487216 /nfs/dbraw/zinc/48/72/16/608487216.db2.gz VXBPEHRGEARBMV-UHFFFAOYSA-N -1 3 381.386 3.003 20 0 GGADHM C[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824634262 608487537 /nfs/dbraw/zinc/48/75/37/608487537.db2.gz UTMWBSHYGPVVSR-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824634262 608487538 /nfs/dbraw/zinc/48/75/38/608487538.db2.gz UTMWBSHYGPVVSR-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM CC[C@@](C)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000825044322 608510938 /nfs/dbraw/zinc/51/09/38/608510938.db2.gz OLEHUEYMCXTVIL-HXUWFJFHSA-N -1 3 375.436 3.332 20 0 GGADHM CC[C@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000825210768 608512061 /nfs/dbraw/zinc/51/20/61/608512061.db2.gz JANKOZYUVLNYGB-IBGZPJMESA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)o1 ZINC000824900048 608518536 /nfs/dbraw/zinc/51/85/36/608518536.db2.gz SCSHJNGYYJPPJU-FZKQIMNGSA-N -1 3 389.463 3.395 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C2CC2)o1 ZINC000824900048 608518537 /nfs/dbraw/zinc/51/85/37/608518537.db2.gz SCSHJNGYYJPPJU-FZKQIMNGSA-N -1 3 389.463 3.395 20 0 GGADHM COc1ccc(F)cc1N[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826208832 608526835 /nfs/dbraw/zinc/52/68/35/608526835.db2.gz BRYFLSQQYGYJQQ-VIFPVBQESA-N -1 3 390.806 3.107 20 0 GGADHM COc1ccc(F)cc1N[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826208832 608526837 /nfs/dbraw/zinc/52/68/37/608526837.db2.gz BRYFLSQQYGYJQQ-VIFPVBQESA-N -1 3 390.806 3.107 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(OC(C)(C)C)n1 ZINC000826335555 608528600 /nfs/dbraw/zinc/52/86/00/608528600.db2.gz RPPBLKKRIUVFLU-UHFFFAOYSA-N -1 3 390.451 3.054 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(OC(C)(C)C)n1 ZINC000826335555 608528601 /nfs/dbraw/zinc/52/86/01/608528601.db2.gz RPPBLKKRIUVFLU-UHFFFAOYSA-N -1 3 390.451 3.054 20 0 GGADHM Clc1cccc(-c2nnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)c1 ZINC000826352960 608532605 /nfs/dbraw/zinc/53/26/05/608532605.db2.gz VRQRUPHOGVLSOL-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1cccc(-c2nnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)c1 ZINC000826352960 608532606 /nfs/dbraw/zinc/53/26/06/608532606.db2.gz VRQRUPHOGVLSOL-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM CC[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(F)cc1F ZINC000825147687 608535291 /nfs/dbraw/zinc/53/52/91/608535291.db2.gz LLVAMCURQAQRCA-INIZCTEOSA-N -1 3 397.389 3.436 20 0 GGADHM CC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)cc1F ZINC000825147687 608535292 /nfs/dbraw/zinc/53/52/92/608535292.db2.gz LLVAMCURQAQRCA-INIZCTEOSA-N -1 3 397.389 3.436 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](C)c2ccc(F)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000826341957 608535785 /nfs/dbraw/zinc/53/57/85/608535785.db2.gz UJXQHYXREYRRMP-VIFPVBQESA-N -1 3 392.822 3.158 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](C)c2ccc(F)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000826341957 608535786 /nfs/dbraw/zinc/53/57/86/608535786.db2.gz UJXQHYXREYRRMP-VIFPVBQESA-N -1 3 392.822 3.158 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000825139278 608536497 /nfs/dbraw/zinc/53/64/97/608536497.db2.gz DDMUHQHWJHTIKU-IRXDYDNUSA-N -1 3 387.390 3.100 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000825139278 608536498 /nfs/dbraw/zinc/53/64/98/608536498.db2.gz DDMUHQHWJHTIKU-IRXDYDNUSA-N -1 3 387.390 3.100 20 0 GGADHM CCCOc1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825342157 608542008 /nfs/dbraw/zinc/54/20/08/608542008.db2.gz OSQSVDBWUWHPNL-UHFFFAOYSA-N -1 3 386.843 3.360 20 0 GGADHM CCCOc1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825342157 608542009 /nfs/dbraw/zinc/54/20/09/608542009.db2.gz OSQSVDBWUWHPNL-UHFFFAOYSA-N -1 3 386.843 3.360 20 0 GGADHM CC[C@H](CSC)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825127920 608546709 /nfs/dbraw/zinc/54/67/09/608546709.db2.gz PVGMQLIVRMYOFX-MRXNPFEDSA-N -1 3 397.504 3.317 20 0 GGADHM CC[C@H](CSC)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825127920 608546710 /nfs/dbraw/zinc/54/67/10/608546710.db2.gz PVGMQLIVRMYOFX-MRXNPFEDSA-N -1 3 397.504 3.317 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCOCC[C@H]2C)cc1 ZINC000826255046 608547504 /nfs/dbraw/zinc/54/75/04/608547504.db2.gz JMSPVCWUOJNLJZ-OAHLLOKOSA-N -1 3 393.447 3.218 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCOCC[C@H]2C)cc1 ZINC000826255046 608547507 /nfs/dbraw/zinc/54/75/07/608547507.db2.gz JMSPVCWUOJNLJZ-OAHLLOKOSA-N -1 3 393.447 3.218 20 0 GGADHM C[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000824562639 608552952 /nfs/dbraw/zinc/55/29/52/608552952.db2.gz HTUSBSYRCYAGEU-MRVPVSSYSA-N -1 3 380.836 3.010 20 0 GGADHM C[C@@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000824562639 608552954 /nfs/dbraw/zinc/55/29/54/608552954.db2.gz HTUSBSYRCYAGEU-MRVPVSSYSA-N -1 3 380.836 3.010 20 0 GGADHM CN1C(=O)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000826010303 608553721 /nfs/dbraw/zinc/55/37/21/608553721.db2.gz HXENWEABJDDGPF-RDJZCZTQSA-N -1 3 386.818 3.043 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(F)c1F ZINC000824633274 608556395 /nfs/dbraw/zinc/55/63/95/608556395.db2.gz JMQMBTGETKBGPQ-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(F)c1F ZINC000824633274 608556396 /nfs/dbraw/zinc/55/63/96/608556396.db2.gz JMQMBTGETKBGPQ-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824562541 608557115 /nfs/dbraw/zinc/55/71/15/608557115.db2.gz GZOGFJNQZHWQKK-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824562541 608557117 /nfs/dbraw/zinc/55/71/17/608557117.db2.gz GZOGFJNQZHWQKK-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(F)c1F ZINC000824632539 608557428 /nfs/dbraw/zinc/55/74/28/608557428.db2.gz BBXDSRTZPWSJJL-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(F)c1F ZINC000824632539 608557430 /nfs/dbraw/zinc/55/74/30/608557430.db2.gz BBXDSRTZPWSJJL-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM c1cc2c(ccnc2NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)o1 ZINC000826519344 608559350 /nfs/dbraw/zinc/55/93/50/608559350.db2.gz VCWJXZFEJPKIRG-UHFFFAOYSA-N -1 3 377.408 3.205 20 0 GGADHM c1cc2c(ccnc2NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)o1 ZINC000826519344 608559352 /nfs/dbraw/zinc/55/93/52/608559352.db2.gz VCWJXZFEJPKIRG-UHFFFAOYSA-N -1 3 377.408 3.205 20 0 GGADHM Fc1ccc2c(c1)CCN(c1c(-c3nnn[n-]3)cnc3c(F)cc(F)cc31)C2 ZINC000826375768 608560395 /nfs/dbraw/zinc/56/03/95/608560395.db2.gz AWGIOWLNYWWUDN-UHFFFAOYSA-N -1 3 382.349 3.395 20 0 GGADHM Fc1ccc2c(c1)CCN(c1c(-c3nn[n-]n3)cnc3c(F)cc(F)cc31)C2 ZINC000826375768 608560397 /nfs/dbraw/zinc/56/03/97/608560397.db2.gz AWGIOWLNYWWUDN-UHFFFAOYSA-N -1 3 382.349 3.395 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826341809 608564916 /nfs/dbraw/zinc/56/49/16/608564916.db2.gz QLCYSYLKBLDPHG-QWRGUYRKSA-N -1 3 388.859 3.408 20 0 GGADHM O=C(NOC1CCCC1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826450120 608569620 /nfs/dbraw/zinc/56/96/20/608569620.db2.gz XUAHLOUIBJLHQQ-UHFFFAOYSA-N -1 3 379.420 3.050 20 0 GGADHM O=C(NOC1CCCC1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826450120 608569622 /nfs/dbraw/zinc/56/96/22/608569622.db2.gz XUAHLOUIBJLHQQ-UHFFFAOYSA-N -1 3 379.420 3.050 20 0 GGADHM Cc1ccc(OCCC(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(C)c1 ZINC000826292316 608570591 /nfs/dbraw/zinc/57/05/91/608570591.db2.gz QDOGLVOUHKKRPK-UHFFFAOYSA-N -1 3 392.463 3.165 20 0 GGADHM Cc1ccc(OCCC(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(C)c1 ZINC000826292316 608570594 /nfs/dbraw/zinc/57/05/94/608570594.db2.gz QDOGLVOUHKKRPK-UHFFFAOYSA-N -1 3 392.463 3.165 20 0 GGADHM Cc1ccc(C)c(SCC(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826285301 608570935 /nfs/dbraw/zinc/57/09/35/608570935.db2.gz VCNMCDCQROXQCO-UHFFFAOYSA-N -1 3 394.504 3.488 20 0 GGADHM Cc1ccc(C)c(SCC(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000826285301 608570940 /nfs/dbraw/zinc/57/09/40/608570940.db2.gz VCNMCDCQROXQCO-UHFFFAOYSA-N -1 3 394.504 3.488 20 0 GGADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826355030 608572658 /nfs/dbraw/zinc/57/26/58/608572658.db2.gz HFOUJVWQJLPMJC-UHFFFAOYSA-N -1 3 392.250 3.038 20 0 GGADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826355030 608572659 /nfs/dbraw/zinc/57/26/59/608572659.db2.gz HFOUJVWQJLPMJC-UHFFFAOYSA-N -1 3 392.250 3.038 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cncnc1-c1ccccc1 ZINC000826452360 608573921 /nfs/dbraw/zinc/57/39/21/608573921.db2.gz QQIHIGUUQVTLJG-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncnc1-c1ccccc1 ZINC000826452360 608573922 /nfs/dbraw/zinc/57/39/22/608573922.db2.gz QQIHIGUUQVTLJG-UHFFFAOYSA-N -1 3 377.795 3.229 20 0 GGADHM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454868 608574005 /nfs/dbraw/zinc/57/40/05/608574005.db2.gz OASYYBKKEPWSIF-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454868 608574006 /nfs/dbraw/zinc/57/40/06/608574006.db2.gz OASYYBKKEPWSIF-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451433 608575577 /nfs/dbraw/zinc/57/55/77/608575577.db2.gz GUFLDZRXLZCXJN-UHFFFAOYSA-N -1 3 392.202 3.197 20 0 GGADHM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451433 608575580 /nfs/dbraw/zinc/57/55/80/608575580.db2.gz GUFLDZRXLZCXJN-UHFFFAOYSA-N -1 3 392.202 3.197 20 0 GGADHM O=C(NCc1ccc(Br)s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826441734 608575898 /nfs/dbraw/zinc/57/58/98/608575898.db2.gz RMVWHVMNZWAXAU-UHFFFAOYSA-N -1 3 398.673 3.274 20 0 GGADHM O=C(NCc1ccc(Br)s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826441734 608575900 /nfs/dbraw/zinc/57/59/00/608575900.db2.gz RMVWHVMNZWAXAU-UHFFFAOYSA-N -1 3 398.673 3.274 20 0 GGADHM C[C@H](OC(=O)c1scnc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000824729461 608576301 /nfs/dbraw/zinc/57/63/01/608576301.db2.gz KIAATMGJFFLXES-ZETCQYMHSA-N -1 3 380.227 3.004 20 0 GGADHM C[C@H](OC(=O)c1scnc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000824729461 608576303 /nfs/dbraw/zinc/57/63/03/608576303.db2.gz KIAATMGJFFLXES-ZETCQYMHSA-N -1 3 380.227 3.004 20 0 GGADHM COc1ccccc1CN(Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCO1 ZINC000826219859 608583251 /nfs/dbraw/zinc/58/32/51/608583251.db2.gz TVPKWGCLEZWFQG-OAHLLOKOSA-N -1 3 385.493 3.118 20 0 GGADHM COc1ccccc1CN(Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCCO1 ZINC000826219859 608583252 /nfs/dbraw/zinc/58/32/52/608583252.db2.gz TVPKWGCLEZWFQG-OAHLLOKOSA-N -1 3 385.493 3.118 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(-c2ccccc2)s1 ZINC000824737341 608583981 /nfs/dbraw/zinc/58/39/81/608583981.db2.gz FEPXYFUNZZRCLV-LBPRGKRZSA-N -1 3 392.444 3.396 20 0 GGADHM CCCC1(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC000825248339 608604984 /nfs/dbraw/zinc/60/49/84/608604984.db2.gz RKSJFGSQMGTMNU-UHFFFAOYSA-N -1 3 384.484 3.038 20 0 GGADHM CCCC1(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC000825248339 608604985 /nfs/dbraw/zinc/60/49/85/608604985.db2.gz RKSJFGSQMGTMNU-UHFFFAOYSA-N -1 3 384.484 3.038 20 0 GGADHM O=C(Nc1ccc2c(c1)COC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826455338 608614047 /nfs/dbraw/zinc/61/40/47/608614047.db2.gz KDWZUMILZRSVRS-UHFFFAOYSA-N -1 3 376.420 3.093 20 0 GGADHM O=C(Nc1ccc2c(c1)COC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826455338 608614049 /nfs/dbraw/zinc/61/40/49/608614049.db2.gz KDWZUMILZRSVRS-UHFFFAOYSA-N -1 3 376.420 3.093 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)Oc1cccc(-c2nnn[n-]2)c1 ZINC000826486640 608618920 /nfs/dbraw/zinc/61/89/20/608618920.db2.gz KITJFUSIJPAVLG-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)Oc1cccc(-c2nn[n-]n2)c1 ZINC000826486640 608618925 /nfs/dbraw/zinc/61/89/25/608618925.db2.gz KITJFUSIJPAVLG-UHFFFAOYSA-N -1 3 385.232 3.082 20 0 GGADHM CC1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)Cc2ccccc2C1 ZINC000824829422 608639042 /nfs/dbraw/zinc/63/90/42/608639042.db2.gz DPMASWFNQNAUHE-UHFFFAOYSA-N -1 3 391.475 3.090 20 0 GGADHM CC1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)Cc2ccccc2C1 ZINC000824829422 608639044 /nfs/dbraw/zinc/63/90/44/608639044.db2.gz DPMASWFNQNAUHE-UHFFFAOYSA-N -1 3 391.475 3.090 20 0 GGADHM O=C(Nc1ccc2c(c1)COC2)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826455619 608644047 /nfs/dbraw/zinc/64/40/47/608644047.db2.gz WTPYNTPNDBOYDZ-UHFFFAOYSA-N -1 3 376.203 3.456 20 0 GGADHM O=C(Nc1ccc2c(c1)COC2)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826455619 608644050 /nfs/dbraw/zinc/64/40/50/608644050.db2.gz WTPYNTPNDBOYDZ-UHFFFAOYSA-N -1 3 376.203 3.456 20 0 GGADHM Fc1c(CN2CCC[C@H]2c2cccc3c2OCCO3)cccc1-c1nnn[n-]1 ZINC000826371102 608648887 /nfs/dbraw/zinc/64/88/87/608648887.db2.gz SMQNEUCAZVEBKX-INIZCTEOSA-N -1 3 381.411 3.114 20 0 GGADHM Fc1c(COc2ccccc2I)cccc1-c1nnn[n-]1 ZINC000826370628 608671960 /nfs/dbraw/zinc/67/19/60/608671960.db2.gz AZSZQEPFFQMTPQ-UHFFFAOYSA-N -1 3 396.163 3.189 20 0 GGADHM Fc1c(COc2ccccc2I)cccc1-c1nn[n-]n1 ZINC000826370628 608671961 /nfs/dbraw/zinc/67/19/61/608671961.db2.gz AZSZQEPFFQMTPQ-UHFFFAOYSA-N -1 3 396.163 3.189 20 0 GGADHM COc1cc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)c(SC)cc1OC ZINC000826178949 608721338 /nfs/dbraw/zinc/72/13/38/608721338.db2.gz RXVRVWBSQDOIFF-UHFFFAOYSA-N -1 3 391.522 3.299 20 0 GGADHM COc1cc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)c(SC)cc1OC ZINC000826178949 608721340 /nfs/dbraw/zinc/72/13/40/608721340.db2.gz RXVRVWBSQDOIFF-UHFFFAOYSA-N -1 3 391.522 3.299 20 0 GGADHM Cc1cc(Br)cc2c1NC(=O)C2=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826256719 608753421 /nfs/dbraw/zinc/75/34/21/608753421.db2.gz XMIGBYBGMXAFNS-VGOFMYFVSA-N -1 3 382.221 3.430 20 0 GGADHM Cc1cc(Br)cc2c1NC(=O)C2=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826256719 608753424 /nfs/dbraw/zinc/75/34/24/608753424.db2.gz XMIGBYBGMXAFNS-VGOFMYFVSA-N -1 3 382.221 3.430 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCCc1cccs1 ZINC000826406189 608765354 /nfs/dbraw/zinc/76/53/54/608765354.db2.gz LWDHUDJANPKNBL-UHFFFAOYSA-N -1 3 385.493 3.226 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCCc1cccs1 ZINC000826406189 608765355 /nfs/dbraw/zinc/76/53/55/608765355.db2.gz LWDHUDJANPKNBL-UHFFFAOYSA-N -1 3 385.493 3.226 20 0 GGADHM COc1ccc2[nH]cc(C3CCN(c4cnccc4-c4nnn[n-]4)CC3)c2c1 ZINC000826212697 608776912 /nfs/dbraw/zinc/77/69/12/608776912.db2.gz YFTPKQUWAAAKKO-UHFFFAOYSA-N -1 3 375.436 3.136 20 0 GGADHM COc1ccc2[nH]cc(C3CCN(c4cnccc4-c4nn[n-]n4)CC3)c2c1 ZINC000826212697 608776914 /nfs/dbraw/zinc/77/69/14/608776914.db2.gz YFTPKQUWAAAKKO-UHFFFAOYSA-N -1 3 375.436 3.136 20 0 GGADHM c1nc(C2CCC2)sc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826513361 608855506 /nfs/dbraw/zinc/85/55/06/608855506.db2.gz JLAZWDZGMLMKOH-QGZVFWFLSA-N -1 3 382.493 3.164 20 0 GGADHM c1nc(C2CCC2)sc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826513361 608855508 /nfs/dbraw/zinc/85/55/08/608855508.db2.gz JLAZWDZGMLMKOH-QGZVFWFLSA-N -1 3 382.493 3.164 20 0 GGADHM Brc1ccc(-n2cc(CNc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000823826340 608867587 /nfs/dbraw/zinc/86/75/87/608867587.db2.gz HWBDWPFSORFPNZ-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM Brc1ccc(-n2cc(CNc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000823826340 608867588 /nfs/dbraw/zinc/86/75/88/608867588.db2.gz HWBDWPFSORFPNZ-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM COc1cc(Br)c(CNc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826176875 608871593 /nfs/dbraw/zinc/87/15/93/608871593.db2.gz ICAHGAUHJUYHPY-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cc(Br)c(CNc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826176875 608871595 /nfs/dbraw/zinc/87/15/95/608871595.db2.gz ICAHGAUHJUYHPY-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(COC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1-c1nnn[n-]1 ZINC000826206151 609135388 /nfs/dbraw/zinc/13/53/88/609135388.db2.gz FXWXFDWNKUNWKY-QGZVFWFLSA-N -1 3 394.431 3.126 20 0 GGADHM COc1ccc(COC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1-c1nn[n-]n1 ZINC000826206151 609135392 /nfs/dbraw/zinc/13/53/92/609135392.db2.gz FXWXFDWNKUNWKY-QGZVFWFLSA-N -1 3 394.431 3.126 20 0 GGADHM COc1ccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCC2)cc1OC ZINC000537447649 609139223 /nfs/dbraw/zinc/13/92/23/609139223.db2.gz GQZAPFCCOFTNFZ-UHFFFAOYSA-N -1 3 393.447 3.334 20 0 GGADHM COc1ccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCC2)cc1OC ZINC000537447649 609139224 /nfs/dbraw/zinc/13/92/24/609139224.db2.gz GQZAPFCCOFTNFZ-UHFFFAOYSA-N -1 3 393.447 3.334 20 0 GGADHM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427540 609139912 /nfs/dbraw/zinc/13/99/12/609139912.db2.gz TWCUZTZFVCXKEC-CYBMUJFWSA-N -1 3 383.280 3.178 20 0 GGADHM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427540 609139913 /nfs/dbraw/zinc/13/99/13/609139913.db2.gz TWCUZTZFVCXKEC-CYBMUJFWSA-N -1 3 383.280 3.178 20 0 GGADHM Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CCC2 ZINC000826328127 609151822 /nfs/dbraw/zinc/15/18/22/609151822.db2.gz GYXFHZWMXZYONB-CYBMUJFWSA-N -1 3 389.872 3.484 20 0 GGADHM Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CCC2 ZINC000826328127 609151824 /nfs/dbraw/zinc/15/18/24/609151824.db2.gz GYXFHZWMXZYONB-CYBMUJFWSA-N -1 3 389.872 3.484 20 0 GGADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1sccc1-c1nnn[n-]1 ZINC000826430839 609152562 /nfs/dbraw/zinc/15/25/62/609152562.db2.gz LKVINFHEOHDCTK-CQSZACIVSA-N -1 3 383.481 3.047 20 0 GGADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1sccc1-c1nn[n-]n1 ZINC000826430839 609152563 /nfs/dbraw/zinc/15/25/63/609152563.db2.gz LKVINFHEOHDCTK-CQSZACIVSA-N -1 3 383.481 3.047 20 0 GGADHM O=C(NCCc1cc(F)c(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826439344 609152603 /nfs/dbraw/zinc/15/26/03/609152603.db2.gz QCROSAHCRGMJCZ-UHFFFAOYSA-N -1 3 396.760 3.302 20 0 GGADHM O=C(NCCc1cc(F)c(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826439344 609152604 /nfs/dbraw/zinc/15/26/04/609152604.db2.gz QCROSAHCRGMJCZ-UHFFFAOYSA-N -1 3 396.760 3.302 20 0 GGADHM O=C(CCC(=O)c1cccc(F)c1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826405885 609155691 /nfs/dbraw/zinc/15/56/91/609155691.db2.gz XVRSXVYYUXNCAS-UHFFFAOYSA-N -1 3 388.786 3.366 20 0 GGADHM O=C(CCC(=O)c1cccc(F)c1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826405885 609155692 /nfs/dbraw/zinc/15/56/92/609155692.db2.gz XVRSXVYYUXNCAS-UHFFFAOYSA-N -1 3 388.786 3.366 20 0 GGADHM COc1c(C)cnc(CCCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826167189 609160033 /nfs/dbraw/zinc/16/00/33/609160033.db2.gz SURVCGUROWCLLP-ZHACJKMWSA-N -1 3 393.447 3.076 20 0 GGADHM COc1c(C)cnc(CCCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826167189 609160034 /nfs/dbraw/zinc/16/00/34/609160034.db2.gz SURVCGUROWCLLP-ZHACJKMWSA-N -1 3 393.447 3.076 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000825317847 609162899 /nfs/dbraw/zinc/16/28/99/609162899.db2.gz DPIIFZPCJUGXQI-OAHLLOKOSA-N -1 3 393.495 3.395 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000825317847 609162901 /nfs/dbraw/zinc/16/29/01/609162901.db2.gz DPIIFZPCJUGXQI-OAHLLOKOSA-N -1 3 393.495 3.395 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccnn2C(C)C)c1-c1nnn[n-]1 ZINC000826233940 609168109 /nfs/dbraw/zinc/16/81/09/609168109.db2.gz AQRLIRGUYPERBS-UHFFFAOYSA-N -1 3 390.451 3.304 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccnn2C(C)C)c1-c1nn[n-]n1 ZINC000826233940 609168110 /nfs/dbraw/zinc/16/81/10/609168110.db2.gz AQRLIRGUYPERBS-UHFFFAOYSA-N -1 3 390.451 3.304 20 0 GGADHM CON(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826166451 609176144 /nfs/dbraw/zinc/17/61/44/609176144.db2.gz KUZYYPXJMYJWEF-UHFFFAOYSA-N -1 3 381.436 3.006 20 0 GGADHM CON(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826166451 609176146 /nfs/dbraw/zinc/17/61/46/609176146.db2.gz KUZYYPXJMYJWEF-UHFFFAOYSA-N -1 3 381.436 3.006 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)nn1[C@@H](C)C1CC1 ZINC000826260300 609177113 /nfs/dbraw/zinc/17/71/13/609177113.db2.gz GXPYCDJDTLWDMP-ZDUSSCGKSA-N -1 3 395.467 3.382 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)nn1[C@@H](C)C1CC1 ZINC000826260300 609177114 /nfs/dbraw/zinc/17/71/14/609177114.db2.gz GXPYCDJDTLWDMP-ZDUSSCGKSA-N -1 3 395.467 3.382 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500097 609185188 /nfs/dbraw/zinc/18/51/88/609185188.db2.gz TWXAGDZPUAQBHK-SJKOYZFVSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500097 609185189 /nfs/dbraw/zinc/18/51/89/609185189.db2.gz TWXAGDZPUAQBHK-SJKOYZFVSA-N -1 3 396.426 3.280 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000825971727 609187920 /nfs/dbraw/zinc/18/79/20/609187920.db2.gz NDJWCUGQZYMONO-KRWDZBQOSA-N -1 3 396.426 3.061 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000825971727 609187922 /nfs/dbraw/zinc/18/79/22/609187922.db2.gz NDJWCUGQZYMONO-KRWDZBQOSA-N -1 3 396.426 3.061 20 0 GGADHM COCCN(C(=O)CCc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157404 609187940 /nfs/dbraw/zinc/18/79/40/609187940.db2.gz UFYOJTOSOFZXLQ-UHFFFAOYSA-N -1 3 379.464 3.096 20 0 GGADHM COCCN(C(=O)CCc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157404 609187942 /nfs/dbraw/zinc/18/79/42/609187942.db2.gz UFYOJTOSOFZXLQ-UHFFFAOYSA-N -1 3 379.464 3.096 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826426987 609191218 /nfs/dbraw/zinc/19/12/18/609191218.db2.gz BUTXSXJFFTVRPX-QGZVFWFLSA-N -1 3 378.823 3.368 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826426987 609191220 /nfs/dbraw/zinc/19/12/20/609191220.db2.gz BUTXSXJFFTVRPX-QGZVFWFLSA-N -1 3 378.823 3.368 20 0 GGADHM Cc1ccc(CN(CCc2ccccc2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000826288063 609191350 /nfs/dbraw/zinc/19/13/50/609191350.db2.gz PHYPKFNXTXDVJI-UHFFFAOYSA-N -1 3 392.488 3.450 20 0 GGADHM Cc1ccc(CN(CCc2ccccc2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000826288063 609191352 /nfs/dbraw/zinc/19/13/52/609191352.db2.gz PHYPKFNXTXDVJI-UHFFFAOYSA-N -1 3 392.488 3.450 20 0 GGADHM O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427350 609192130 /nfs/dbraw/zinc/19/21/30/609192130.db2.gz NERUKNCBLSECIZ-IBGZPJMESA-N -1 3 384.399 3.460 20 0 GGADHM O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427350 609192131 /nfs/dbraw/zinc/19/21/31/609192131.db2.gz NERUKNCBLSECIZ-IBGZPJMESA-N -1 3 384.399 3.460 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)cs1 ZINC000826322542 609193743 /nfs/dbraw/zinc/19/37/43/609193743.db2.gz REAPAQFNKPUJTP-JTQLQIEISA-N -1 3 379.449 3.118 20 0 GGADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)cs1 ZINC000826322542 609193745 /nfs/dbraw/zinc/19/37/45/609193745.db2.gz REAPAQFNKPUJTP-JTQLQIEISA-N -1 3 379.449 3.118 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)NC1(c3cccc(-c4nnn[n-]4)c3)CC1)[C@H](C)C2 ZINC000826293767 609195389 /nfs/dbraw/zinc/19/53/89/609195389.db2.gz AUCDTCXQKIDOJH-AUUYWEPGSA-N -1 3 388.475 3.397 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)NC1(c3cccc(-c4nn[n-]n4)c3)CC1)[C@H](C)C2 ZINC000826293767 609195391 /nfs/dbraw/zinc/19/53/91/609195391.db2.gz AUCDTCXQKIDOJH-AUUYWEPGSA-N -1 3 388.475 3.397 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1c2nsnc2ccc1Cl ZINC000826402057 609204351 /nfs/dbraw/zinc/20/43/51/609204351.db2.gz MDPHHWOBTWRPMX-YVMONPNESA-N -1 3 383.824 3.177 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1c2nsnc2ccc1Cl ZINC000826402057 609204352 /nfs/dbraw/zinc/20/43/52/609204352.db2.gz MDPHHWOBTWRPMX-YVMONPNESA-N -1 3 383.824 3.177 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1c1ccccc1 ZINC000826397390 609206842 /nfs/dbraw/zinc/20/68/42/609206842.db2.gz BWLHLQHNZCGLEQ-RBUKOAKNSA-N -1 3 377.448 3.044 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1c1ccccc1 ZINC000826397390 609206844 /nfs/dbraw/zinc/20/68/44/609206844.db2.gz BWLHLQHNZCGLEQ-RBUKOAKNSA-N -1 3 377.448 3.044 20 0 GGADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826443169 609210397 /nfs/dbraw/zinc/21/03/97/609210397.db2.gz DHENSZZQYPAINN-UHFFFAOYSA-N -1 3 378.367 3.056 20 0 GGADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826443169 609210398 /nfs/dbraw/zinc/21/03/98/609210398.db2.gz DHENSZZQYPAINN-UHFFFAOYSA-N -1 3 378.367 3.056 20 0 GGADHM CCN(C(=O)C[C@](C)(O)c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366646 609211013 /nfs/dbraw/zinc/21/10/13/609211013.db2.gz CVJNXKJSDYLOMU-VFNWGFHPSA-N -1 3 379.464 3.074 20 0 GGADHM CCN(C(=O)C[C@](C)(O)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366646 609211015 /nfs/dbraw/zinc/21/10/15/609211015.db2.gz CVJNXKJSDYLOMU-VFNWGFHPSA-N -1 3 379.464 3.074 20 0 GGADHM CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825285283 609218938 /nfs/dbraw/zinc/21/89/38/609218938.db2.gz OUPGKWQPPZZUKB-SFHVURJKSA-N -1 3 399.882 3.382 20 0 GGADHM CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825285283 609218941 /nfs/dbraw/zinc/21/89/41/609218941.db2.gz OUPGKWQPPZZUKB-SFHVURJKSA-N -1 3 399.882 3.382 20 0 GGADHM CCSc1ccc(Cl)cc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825674918 609223669 /nfs/dbraw/zinc/22/36/69/609223669.db2.gz UXZGEHZUBRAKFS-HNNXBMFYSA-N -1 3 389.868 3.304 20 0 GGADHM CCSc1ccc(Cl)cc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825674918 609223672 /nfs/dbraw/zinc/22/36/72/609223672.db2.gz UXZGEHZUBRAKFS-HNNXBMFYSA-N -1 3 389.868 3.304 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826323288 609225917 /nfs/dbraw/zinc/22/59/17/609225917.db2.gz YNAXCFDGBISDEM-GFCCVEGCSA-N -1 3 393.476 3.460 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826323288 609225918 /nfs/dbraw/zinc/22/59/18/609225918.db2.gz YNAXCFDGBISDEM-GFCCVEGCSA-N -1 3 393.476 3.460 20 0 GGADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305849 609230169 /nfs/dbraw/zinc/23/01/69/609230169.db2.gz KAWUHVRBMCUMQU-RBUKOAKNSA-N -1 3 379.464 3.064 20 0 GGADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305849 609230170 /nfs/dbraw/zinc/23/01/70/609230170.db2.gz KAWUHVRBMCUMQU-RBUKOAKNSA-N -1 3 379.464 3.064 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826306093 609230256 /nfs/dbraw/zinc/23/02/56/609230256.db2.gz QAQRFUUXTJDFHF-RBUKOAKNSA-N -1 3 379.464 3.112 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826306093 609230257 /nfs/dbraw/zinc/23/02/57/609230257.db2.gz QAQRFUUXTJDFHF-RBUKOAKNSA-N -1 3 379.464 3.112 20 0 GGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826430145 609231574 /nfs/dbraw/zinc/23/15/74/609231574.db2.gz VIULQVXEFFJMOH-JSGCOSHPSA-N -1 3 390.369 3.280 20 0 GGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826430145 609231576 /nfs/dbraw/zinc/23/15/76/609231576.db2.gz VIULQVXEFFJMOH-JSGCOSHPSA-N -1 3 390.369 3.280 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826285005 609235462 /nfs/dbraw/zinc/23/54/62/609235462.db2.gz NKAKGHZQFJYDJA-XPGWFJOJSA-N -1 3 391.475 3.208 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285005 609235463 /nfs/dbraw/zinc/23/54/63/609235463.db2.gz NKAKGHZQFJYDJA-XPGWFJOJSA-N -1 3 391.475 3.208 20 0 GGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825704898 609235468 /nfs/dbraw/zinc/23/54/68/609235468.db2.gz PNBUGYWCKQPREO-HKUYNNGSSA-N -1 3 395.463 3.199 20 0 GGADHM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825704898 609235469 /nfs/dbraw/zinc/23/54/69/609235469.db2.gz PNBUGYWCKQPREO-HKUYNNGSSA-N -1 3 395.463 3.199 20 0 GGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1sccc1-c1nnn[n-]1 ZINC000826455924 609236617 /nfs/dbraw/zinc/23/66/17/609236617.db2.gz JVNZTTZWSPIXBC-UHFFFAOYSA-N -1 3 389.400 3.384 20 0 GGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1sccc1-c1nn[n-]n1 ZINC000826455924 609236619 /nfs/dbraw/zinc/23/66/19/609236619.db2.gz JVNZTTZWSPIXBC-UHFFFAOYSA-N -1 3 389.400 3.384 20 0 GGADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)nn1-c1ccc(C)cc1 ZINC000826281170 609237771 /nfs/dbraw/zinc/23/77/71/609237771.db2.gz HGTZRVDLAFBQJQ-UHFFFAOYSA-N -1 3 378.367 3.028 20 0 GGADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)nn1-c1ccc(C)cc1 ZINC000826281170 609237773 /nfs/dbraw/zinc/23/77/73/609237773.db2.gz HGTZRVDLAFBQJQ-UHFFFAOYSA-N -1 3 378.367 3.028 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824655383 609239812 /nfs/dbraw/zinc/23/98/12/609239812.db2.gz CKVXIHOANFJFFX-HOTGVXAUSA-N -1 3 392.507 3.432 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824655383 609239813 /nfs/dbraw/zinc/23/98/13/609239813.db2.gz CKVXIHOANFJFFX-HOTGVXAUSA-N -1 3 392.507 3.432 20 0 GGADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000825149048 609240555 /nfs/dbraw/zinc/24/05/55/609240555.db2.gz UYNVAEOFAMXUBS-INIZCTEOSA-N -1 3 384.509 3.453 20 0 GGADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000825149048 609240556 /nfs/dbraw/zinc/24/05/56/609240556.db2.gz UYNVAEOFAMXUBS-INIZCTEOSA-N -1 3 384.509 3.453 20 0 GGADHM OC1CCN(c2ccc(N[C@@H]3CCc4c3cccc4F)cc2-c2nnn[n-]2)CC1 ZINC000826507097 609241107 /nfs/dbraw/zinc/24/11/07/609241107.db2.gz IPACTZFCQFPFLO-LJQANCHMSA-N -1 3 394.454 3.066 20 0 GGADHM OC1CCN(c2ccc(N[C@@H]3CCc4c3cccc4F)cc2-c2nn[n-]n2)CC1 ZINC000826507097 609241109 /nfs/dbraw/zinc/24/11/09/609241109.db2.gz IPACTZFCQFPFLO-LJQANCHMSA-N -1 3 394.454 3.066 20 0 GGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825704189 609241386 /nfs/dbraw/zinc/24/13/86/609241386.db2.gz DEOHQAKQAVLJIH-XVGQJIODSA-N -1 3 395.463 3.055 20 0 GGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825704189 609241387 /nfs/dbraw/zinc/24/13/87/609241387.db2.gz DEOHQAKQAVLJIH-XVGQJIODSA-N -1 3 395.463 3.055 20 0 GGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825704184 609241450 /nfs/dbraw/zinc/24/14/50/609241450.db2.gz DEOHQAKQAVLJIH-FMEYXAORSA-N -1 3 395.463 3.055 20 0 GGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825704184 609241451 /nfs/dbraw/zinc/24/14/51/609241451.db2.gz DEOHQAKQAVLJIH-FMEYXAORSA-N -1 3 395.463 3.055 20 0 GGADHM C[C@H]1Cc2ccccc2[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825012554 609242307 /nfs/dbraw/zinc/24/23/07/609242307.db2.gz JKDKPQHRDRDXJS-QKKBWIMNSA-N -1 3 390.491 3.173 20 0 GGADHM C[C@H]1Cc2ccccc2[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825012554 609242308 /nfs/dbraw/zinc/24/23/08/609242308.db2.gz JKDKPQHRDRDXJS-QKKBWIMNSA-N -1 3 390.491 3.173 20 0 GGADHM OC1CCN(c2ccc(N[C@@H]3CCCc4sccc43)cc2-c2nnn[n-]2)CC1 ZINC000826506833 609242986 /nfs/dbraw/zinc/24/29/86/609242986.db2.gz CHMHXJAHYPKBSD-QGZVFWFLSA-N -1 3 396.520 3.379 20 0 GGADHM OC1CCN(c2ccc(N[C@@H]3CCCc4sccc43)cc2-c2nn[n-]n2)CC1 ZINC000826506833 609242988 /nfs/dbraw/zinc/24/29/88/609242988.db2.gz CHMHXJAHYPKBSD-QGZVFWFLSA-N -1 3 396.520 3.379 20 0 GGADHM Cc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000826282807 609243022 /nfs/dbraw/zinc/24/30/22/609243022.db2.gz CRZRYUWXWRFCHZ-HNNXBMFYSA-N -1 3 378.480 3.309 20 0 GGADHM Cc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000826282807 609243024 /nfs/dbraw/zinc/24/30/24/609243024.db2.gz CRZRYUWXWRFCHZ-HNNXBMFYSA-N -1 3 378.480 3.309 20 0 GGADHM Cc1ccccc1C[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000826306960 609243140 /nfs/dbraw/zinc/24/31/40/609243140.db2.gz RLIYHJBBASHCMV-INIZCTEOSA-N -1 3 392.507 3.179 20 0 GGADHM Cc1ccccc1C[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000826306960 609243143 /nfs/dbraw/zinc/24/31/43/609243143.db2.gz RLIYHJBBASHCMV-INIZCTEOSA-N -1 3 392.507 3.179 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824761886 609243491 /nfs/dbraw/zinc/24/34/91/609243491.db2.gz CXJGZNUYMZUKCW-VEVIJQCQSA-N -1 3 399.882 3.204 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824761886 609243492 /nfs/dbraw/zinc/24/34/92/609243492.db2.gz CXJGZNUYMZUKCW-VEVIJQCQSA-N -1 3 399.882 3.204 20 0 GGADHM C[C@H](Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824648379 609254214 /nfs/dbraw/zinc/25/42/14/609254214.db2.gz FGSRJHQJOYRLBE-NSHDSACASA-N -1 3 384.390 3.445 20 0 GGADHM C[C@H](Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824648379 609254216 /nfs/dbraw/zinc/25/42/16/609254216.db2.gz FGSRJHQJOYRLBE-NSHDSACASA-N -1 3 384.390 3.445 20 0 GGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347475 609256692 /nfs/dbraw/zinc/25/66/92/609256692.db2.gz BCZXWFGMMFNFMB-WOJBJXKFSA-N -1 3 391.475 3.387 20 0 GGADHM CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347475 609256693 /nfs/dbraw/zinc/25/66/93/609256693.db2.gz BCZXWFGMMFNFMB-WOJBJXKFSA-N -1 3 391.475 3.387 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C[C@H](C)O1 ZINC000820758804 609260735 /nfs/dbraw/zinc/26/07/35/609260735.db2.gz DELFJGYFIDACMV-IYBDPMFKSA-N -1 3 379.464 3.055 20 0 GGADHM c1cc(-c2nnn[n-]2)sc1CNc1nc2cc3c(cc2s1)OCCCO3 ZINC000826514737 609265075 /nfs/dbraw/zinc/26/50/75/609265075.db2.gz BDULUDIKXRQNSF-UHFFFAOYSA-N -1 3 386.462 3.311 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nnc(CCCc2ccccc2)o1 ZINC000826372178 609266251 /nfs/dbraw/zinc/26/62/51/609266251.db2.gz KUKXCGBEBYMPGW-UHFFFAOYSA-N -1 3 379.399 3.176 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nnc(CCCc2ccccc2)o1 ZINC000826372178 609266253 /nfs/dbraw/zinc/26/62/53/609266253.db2.gz KUKXCGBEBYMPGW-UHFFFAOYSA-N -1 3 379.399 3.176 20 0 GGADHM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662528 609273468 /nfs/dbraw/zinc/27/34/68/609273468.db2.gz MHBDMMXCWQTANH-LLVKDONJSA-N -1 3 391.414 3.167 20 0 GGADHM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662528 609273471 /nfs/dbraw/zinc/27/34/71/609273471.db2.gz MHBDMMXCWQTANH-LLVKDONJSA-N -1 3 391.414 3.167 20 0 GGADHM CCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000825247438 609273833 /nfs/dbraw/zinc/27/38/33/609273833.db2.gz DNDKLODSIDOHRD-HXUWFJFHSA-N -1 3 392.419 3.274 20 0 GGADHM CCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000825247438 609273834 /nfs/dbraw/zinc/27/38/34/609273834.db2.gz DNDKLODSIDOHRD-HXUWFJFHSA-N -1 3 392.419 3.274 20 0 GGADHM CCNC(=O)c1ccc(C)c(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825476941 609273926 /nfs/dbraw/zinc/27/39/26/609273926.db2.gz ZDOWEKYWZWJBOG-SFHVURJKSA-N -1 3 376.464 3.414 20 0 GGADHM CCNC(=O)c1ccc(C)c(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825476941 609273927 /nfs/dbraw/zinc/27/39/27/609273927.db2.gz ZDOWEKYWZWJBOG-SFHVURJKSA-N -1 3 376.464 3.414 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cnn(C2CCCCC2)c1C ZINC000826174436 609274138 /nfs/dbraw/zinc/27/41/38/609274138.db2.gz WRRVPULBVZVAKC-UHFFFAOYSA-N -1 3 382.424 3.105 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cnn(C2CCCCC2)c1C ZINC000826174436 609274139 /nfs/dbraw/zinc/27/41/39/609274139.db2.gz WRRVPULBVZVAKC-UHFFFAOYSA-N -1 3 382.424 3.105 20 0 GGADHM COCCOc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826162846 609276962 /nfs/dbraw/zinc/27/69/62/609276962.db2.gz USDJFVJMOFPHBZ-NSHDSACASA-N -1 3 375.379 3.343 20 0 GGADHM COCCOc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826162846 609276965 /nfs/dbraw/zinc/27/69/65/609276965.db2.gz USDJFVJMOFPHBZ-NSHDSACASA-N -1 3 375.379 3.343 20 0 GGADHM CC(C)(C)c1cnc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)o1 ZINC000824136289 609278125 /nfs/dbraw/zinc/27/81/25/609278125.db2.gz OQZFGYCLATXUGF-UHFFFAOYSA-N -1 3 382.403 3.089 20 0 GGADHM Cc1noc(COc2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2)n1 ZINC000826340430 609280408 /nfs/dbraw/zinc/28/04/08/609280408.db2.gz YGMJQHRXLZIHGD-LLVKDONJSA-N -1 3 395.398 3.449 20 0 GGADHM Cc1noc(COc2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)cc2)n1 ZINC000826340430 609280409 /nfs/dbraw/zinc/28/04/09/609280409.db2.gz YGMJQHRXLZIHGD-LLVKDONJSA-N -1 3 395.398 3.449 20 0 GGADHM Cc1cc(Cl)c(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1C ZINC000826267575 609281393 /nfs/dbraw/zinc/28/13/93/609281393.db2.gz LRXSNCBFGRBKMR-UHFFFAOYSA-N -1 3 396.882 3.099 20 0 GGADHM Cc1cc(Cl)c(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1C ZINC000826267575 609281395 /nfs/dbraw/zinc/28/13/95/609281395.db2.gz LRXSNCBFGRBKMR-UHFFFAOYSA-N -1 3 396.882 3.099 20 0 GGADHM C[C@]1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCCOC1 ZINC000824784000 609281891 /nfs/dbraw/zinc/28/18/91/609281891.db2.gz MDHIKTIJXYQVCT-FQEVSTJZSA-N -1 3 379.420 3.414 20 0 GGADHM C[C@]1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCCOC1 ZINC000824784000 609281893 /nfs/dbraw/zinc/28/18/93/609281893.db2.gz MDHIKTIJXYQVCT-FQEVSTJZSA-N -1 3 379.420 3.414 20 0 GGADHM COc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc(OC)c1C(C)C ZINC000826176788 609282819 /nfs/dbraw/zinc/28/28/19/609282819.db2.gz DJZLGBIDPNRNNA-UHFFFAOYSA-N -1 3 393.447 3.210 20 0 GGADHM COc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc(OC)c1C(C)C ZINC000826176788 609282821 /nfs/dbraw/zinc/28/28/21/609282821.db2.gz DJZLGBIDPNRNNA-UHFFFAOYSA-N -1 3 393.447 3.210 20 0 GGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826208506 609288558 /nfs/dbraw/zinc/28/85/58/609288558.db2.gz NSWQUYZSNUJVCM-UHFFFAOYSA-N -1 3 392.246 3.454 20 0 GGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826208506 609288559 /nfs/dbraw/zinc/28/85/59/609288559.db2.gz NSWQUYZSNUJVCM-UHFFFAOYSA-N -1 3 392.246 3.454 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC(OCc2ccccc2)CC1 ZINC000826473402 609289009 /nfs/dbraw/zinc/28/90/09/609289009.db2.gz WZEWWXPZIYJFMW-UHFFFAOYSA-N -1 3 397.866 3.342 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC(OCc2ccccc2)CC1 ZINC000826473402 609289011 /nfs/dbraw/zinc/28/90/11/609289011.db2.gz WZEWWXPZIYJFMW-UHFFFAOYSA-N -1 3 397.866 3.342 20 0 GGADHM CC(C)CC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCC1 ZINC000824235090 609290123 /nfs/dbraw/zinc/29/01/23/609290123.db2.gz BSOQQDXGYJQVAB-UHFFFAOYSA-N -1 3 383.431 3.346 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC(OC2CCCC2)CC1 ZINC000826473149 609290872 /nfs/dbraw/zinc/29/08/72/609290872.db2.gz MMGPTJBKUZLORQ-UHFFFAOYSA-N -1 3 375.860 3.084 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC(OC2CCCC2)CC1 ZINC000826473149 609290874 /nfs/dbraw/zinc/29/08/74/609290874.db2.gz MMGPTJBKUZLORQ-UHFFFAOYSA-N -1 3 375.860 3.084 20 0 GGADHM CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000824358401 609291078 /nfs/dbraw/zinc/29/10/78/609291078.db2.gz IYRPOLARMANKRW-CYBMUJFWSA-N -1 3 387.831 3.004 20 0 GGADHM CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000824358401 609291079 /nfs/dbraw/zinc/29/10/79/609291079.db2.gz IYRPOLARMANKRW-CYBMUJFWSA-N -1 3 387.831 3.004 20 0 GGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000824764521 609296420 /nfs/dbraw/zinc/29/64/20/609296420.db2.gz WXRQMBFOFLWCIE-AWEZNQCLSA-N -1 3 389.438 3.311 20 0 GGADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)nn1-c1ccc(Cl)cc1 ZINC000826260842 609304593 /nfs/dbraw/zinc/30/45/93/609304593.db2.gz GYYXHQLXFWOMMP-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)nn1-c1ccc(Cl)cc1 ZINC000826260842 609304595 /nfs/dbraw/zinc/30/45/95/609304595.db2.gz GYYXHQLXFWOMMP-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM O=C(OC[C@@H]1CCCCO1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462525 609305482 /nfs/dbraw/zinc/30/54/82/609305482.db2.gz AHSPWBPCVNAVKL-AWEZNQCLSA-N -1 3 380.404 3.385 20 0 GGADHM O=C(OC[C@@H]1CCCCO1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462525 609305483 /nfs/dbraw/zinc/30/54/83/609305483.db2.gz AHSPWBPCVNAVKL-AWEZNQCLSA-N -1 3 380.404 3.385 20 0 GGADHM Cc1nnc(SCc2ccc(Oc3ccccc3)nn2)c(-c2nnn[n-]2)c1C ZINC000826337400 609307592 /nfs/dbraw/zinc/30/75/92/609307592.db2.gz NIRIJPUVNZKHIT-UHFFFAOYSA-N -1 3 392.448 3.148 20 0 GGADHM Cc1nnc(SCc2ccc(Oc3ccccc3)nn2)c(-c2nn[n-]n2)c1C ZINC000826337400 609307593 /nfs/dbraw/zinc/30/75/93/609307593.db2.gz NIRIJPUVNZKHIT-UHFFFAOYSA-N -1 3 392.448 3.148 20 0 GGADHM O=c1ccn(Cc2ccc(-c3nnn[n-]3)cc2Br)c2ccsc21 ZINC000826501998 609312307 /nfs/dbraw/zinc/31/23/07/609312307.db2.gz PULIHFWYEQRUBG-UHFFFAOYSA-N -1 3 388.250 3.054 20 0 GGADHM O=c1ccn(Cc2ccc(-c3nn[n-]n3)cc2Br)c2ccsc21 ZINC000826501998 609312309 /nfs/dbraw/zinc/31/23/09/609312309.db2.gz PULIHFWYEQRUBG-UHFFFAOYSA-N -1 3 388.250 3.054 20 0 GGADHM Cc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(N2CCCC2)n1 ZINC000826288714 609313466 /nfs/dbraw/zinc/31/34/66/609313466.db2.gz TVCRZPNYGFKMJC-UHFFFAOYSA-N -1 3 390.495 3.056 20 0 GGADHM Cc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(N2CCCC2)n1 ZINC000826288714 609313468 /nfs/dbraw/zinc/31/34/68/609313468.db2.gz TVCRZPNYGFKMJC-UHFFFAOYSA-N -1 3 390.495 3.056 20 0 GGADHM CCOC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000825581480 609314365 /nfs/dbraw/zinc/31/43/65/609314365.db2.gz BBWXBQURKNJJGN-UHFFFAOYSA-N -1 3 393.447 3.300 20 0 GGADHM CCOC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000825581480 609314366 /nfs/dbraw/zinc/31/43/66/609314366.db2.gz BBWXBQURKNJJGN-UHFFFAOYSA-N -1 3 393.447 3.300 20 0 GGADHM CC[C@H](C)n1nc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000825082183 609315545 /nfs/dbraw/zinc/31/55/45/609315545.db2.gz QYQJYAOZNJEWKG-VIFPVBQESA-N -1 3 391.382 3.196 20 0 GGADHM CC[C@H](C)n1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000825082183 609315547 /nfs/dbraw/zinc/31/55/47/609315547.db2.gz QYQJYAOZNJEWKG-VIFPVBQESA-N -1 3 391.382 3.196 20 0 GGADHM Cc1cc(N2CCC[C@H](OC(F)F)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269441 609317166 /nfs/dbraw/zinc/31/71/66/609317166.db2.gz MDIYTRUDGMFKRC-LBPRGKRZSA-N -1 3 399.405 3.184 20 0 GGADHM Cc1cc(N2CCC[C@H](OC(F)F)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269441 609317167 /nfs/dbraw/zinc/31/71/67/609317167.db2.gz MDIYTRUDGMFKRC-LBPRGKRZSA-N -1 3 399.405 3.184 20 0 GGADHM Fc1cccc(-n2ccc(NCc3cnc(C4CC4)s3)n2)c1-c1nnn[n-]1 ZINC000826376927 609320938 /nfs/dbraw/zinc/32/09/38/609320938.db2.gz YKHWJYQICVDGSO-UHFFFAOYSA-N -1 3 382.428 3.138 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539666 609324321 /nfs/dbraw/zinc/32/43/21/609324321.db2.gz PDOGSVOFNNUABL-SGTLLEGYSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539666 609324322 /nfs/dbraw/zinc/32/43/22/609324322.db2.gz PDOGSVOFNNUABL-SGTLLEGYSA-N -1 3 395.417 3.319 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccc(Cl)cc1 ZINC000826257401 609324336 /nfs/dbraw/zinc/32/43/36/609324336.db2.gz AZSXRPYIZHEHFZ-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(Cl)cc1 ZINC000826257401 609324338 /nfs/dbraw/zinc/32/43/38/609324338.db2.gz AZSXRPYIZHEHFZ-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824538007 609324376 /nfs/dbraw/zinc/32/43/76/609324376.db2.gz GPGXKHRAKLFMGG-SCLBCKFNSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824538007 609324378 /nfs/dbraw/zinc/32/43/78/609324378.db2.gz GPGXKHRAKLFMGG-SCLBCKFNSA-N -1 3 377.427 3.180 20 0 GGADHM CC1(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC000824823918 609326868 /nfs/dbraw/zinc/32/68/68/609326868.db2.gz QQPGMKBBTCEXBO-UHFFFAOYSA-N -1 3 393.447 3.206 20 0 GGADHM CC1(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC000824823918 609326870 /nfs/dbraw/zinc/32/68/70/609326870.db2.gz QQPGMKBBTCEXBO-UHFFFAOYSA-N -1 3 393.447 3.206 20 0 GGADHM O=C(NCCc1cscn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826439592 609331579 /nfs/dbraw/zinc/33/15/79/609331579.db2.gz AZGGJEQVCIONHW-UHFFFAOYSA-N -1 3 392.444 3.088 20 0 GGADHM O=C(NCCc1cscn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826439592 609331581 /nfs/dbraw/zinc/33/15/81/609331581.db2.gz AZGGJEQVCIONHW-UHFFFAOYSA-N -1 3 392.444 3.088 20 0 GGADHM O=C([C@@H](F)Cc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826396481 609334407 /nfs/dbraw/zinc/33/44/07/609334407.db2.gz APBHIRMALFTILZ-IBGZPJMESA-N -1 3 377.423 3.063 20 0 GGADHM O=C([C@@H](F)Cc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826396481 609334410 /nfs/dbraw/zinc/33/44/10/609334410.db2.gz APBHIRMALFTILZ-IBGZPJMESA-N -1 3 377.423 3.063 20 0 GGADHM C[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824537397 609337014 /nfs/dbraw/zinc/33/70/14/609337014.db2.gz DUYMDEZNEFTJLW-KUHUBIRLSA-N -1 3 377.427 3.294 20 0 GGADHM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530922 609339574 /nfs/dbraw/zinc/33/95/74/609339574.db2.gz NCQKBFPWGGNXOD-OLZOCXBDSA-N -1 3 393.426 3.391 20 0 GGADHM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530922 609339576 /nfs/dbraw/zinc/33/95/76/609339576.db2.gz NCQKBFPWGGNXOD-OLZOCXBDSA-N -1 3 393.426 3.391 20 0 GGADHM CCc1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000825750298 609344599 /nfs/dbraw/zinc/34/45/99/609344599.db2.gz PRIAJJYLQDKMIJ-UHFFFAOYSA-N -1 3 394.254 3.005 20 0 GGADHM CCc1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000825750298 609344600 /nfs/dbraw/zinc/34/46/00/609344600.db2.gz PRIAJJYLQDKMIJ-UHFFFAOYSA-N -1 3 394.254 3.005 20 0 GGADHM Cc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826297460 609344602 /nfs/dbraw/zinc/34/46/02/609344602.db2.gz INEKUOLGMVTELD-UHFFFAOYSA-N -1 3 387.237 3.224 20 0 GGADHM Cc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826297460 609344603 /nfs/dbraw/zinc/34/46/03/609344603.db2.gz INEKUOLGMVTELD-UHFFFAOYSA-N -1 3 387.237 3.224 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)C1(C(F)(F)F)CC1 ZINC000826464644 609345473 /nfs/dbraw/zinc/34/54/73/609345473.db2.gz GPRKRTUILSCCET-UHFFFAOYSA-N -1 3 391.147 3.015 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)C1(C(F)(F)F)CC1 ZINC000826464644 609345475 /nfs/dbraw/zinc/34/54/75/609345475.db2.gz GPRKRTUILSCCET-UHFFFAOYSA-N -1 3 391.147 3.015 20 0 GGADHM COC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000826151001 609346030 /nfs/dbraw/zinc/34/60/30/609346030.db2.gz QYBLPPDJDWXVCV-QGHHPUGFSA-N -1 3 377.370 3.322 20 0 GGADHM COC[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000826151001 609346031 /nfs/dbraw/zinc/34/60/31/609346031.db2.gz QYBLPPDJDWXVCV-QGHHPUGFSA-N -1 3 377.370 3.322 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)[C@H]1Cc2ccccc21 ZINC000826464614 609347055 /nfs/dbraw/zinc/34/70/55/609347055.db2.gz FIBCPNBCQHELEB-AWEZNQCLSA-N -1 3 385.221 3.012 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)[C@H]1Cc2ccccc21 ZINC000826464614 609347057 /nfs/dbraw/zinc/34/70/57/609347057.db2.gz FIBCPNBCQHELEB-AWEZNQCLSA-N -1 3 385.221 3.012 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)oc1C ZINC000826261655 609347953 /nfs/dbraw/zinc/34/79/53/609347953.db2.gz MHJCYSTZZOFKKI-UHFFFAOYSA-N -1 3 377.198 3.196 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)oc1C ZINC000826261655 609347955 /nfs/dbraw/zinc/34/79/55/609347955.db2.gz MHJCYSTZZOFKKI-UHFFFAOYSA-N -1 3 377.198 3.196 20 0 GGADHM O=C(COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000826462647 609353076 /nfs/dbraw/zinc/35/30/76/609353076.db2.gz DKVYAWWMHMHUEI-UHFFFAOYSA-N -1 3 378.388 3.185 20 0 GGADHM O=C(COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000826462647 609353078 /nfs/dbraw/zinc/35/30/78/609353078.db2.gz DKVYAWWMHMHUEI-UHFFFAOYSA-N -1 3 378.388 3.185 20 0 GGADHM C[C@H](c1nc2ccccc2o1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824779592 609355840 /nfs/dbraw/zinc/35/58/40/609355840.db2.gz WGRYPKNOEOLSQX-CYBMUJFWSA-N -1 3 393.426 3.030 20 0 GGADHM C[C@H](c1nc2ccccc2o1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824779592 609355843 /nfs/dbraw/zinc/35/58/43/609355843.db2.gz WGRYPKNOEOLSQX-CYBMUJFWSA-N -1 3 393.426 3.030 20 0 GGADHM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824770153 609358478 /nfs/dbraw/zinc/35/84/78/609358478.db2.gz FQDYPPPLAFFBEZ-NSHDSACASA-N -1 3 396.386 3.009 20 0 GGADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000826425954 609360108 /nfs/dbraw/zinc/36/01/08/609360108.db2.gz ALZYNYUIDSDKDX-ZDUSSCGKSA-N -1 3 381.383 3.222 20 0 GGADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000826425954 609360111 /nfs/dbraw/zinc/36/01/11/609360111.db2.gz ALZYNYUIDSDKDX-ZDUSSCGKSA-N -1 3 381.383 3.222 20 0 GGADHM Cc1ncc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826329407 609360263 /nfs/dbraw/zinc/36/02/63/609360263.db2.gz BJMAYNBYVFZBQK-UHFFFAOYSA-N -1 3 379.287 3.026 20 0 GGADHM Cc1ncc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826329407 609360265 /nfs/dbraw/zinc/36/02/65/609360265.db2.gz BJMAYNBYVFZBQK-UHFFFAOYSA-N -1 3 379.287 3.026 20 0 GGADHM CC1(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCCCC1 ZINC000824833291 609360781 /nfs/dbraw/zinc/36/07/81/609360781.db2.gz YWBNYHVXMLZCCH-UHFFFAOYSA-N -1 3 384.419 3.036 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)NC1CCCCCC1 ZINC000826458090 609364455 /nfs/dbraw/zinc/36/44/55/609364455.db2.gz CBBNHTMSONRXEE-UHFFFAOYSA-N -1 3 384.419 3.036 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1CN(Cc1cccnc1)C1CC1 ZINC000823821534 609365203 /nfs/dbraw/zinc/36/52/03/609365203.db2.gz WFRDGIDKTMIUBE-UHFFFAOYSA-N -1 3 385.269 3.189 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccnc1)C1CC1 ZINC000823821534 609365207 /nfs/dbraw/zinc/36/52/07/609365207.db2.gz WFRDGIDKTMIUBE-UHFFFAOYSA-N -1 3 385.269 3.189 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000825184315 609373063 /nfs/dbraw/zinc/37/30/63/609373063.db2.gz SBWWLUVXGGRZNI-ZYHUDNBSSA-N -1 3 380.832 3.029 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000825184315 609373064 /nfs/dbraw/zinc/37/30/64/609373064.db2.gz SBWWLUVXGGRZNI-ZYHUDNBSSA-N -1 3 380.832 3.029 20 0 GGADHM COC(=O)[C@H](NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000826112413 609373867 /nfs/dbraw/zinc/37/38/67/609373867.db2.gz ZVRRPCCJJNPYDO-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000826112413 609373870 /nfs/dbraw/zinc/37/38/70/609373870.db2.gz ZVRRPCCJJNPYDO-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CCO1 ZINC000824216417 609375142 /nfs/dbraw/zinc/37/51/42/609375142.db2.gz RCHDXRWMFVLSJC-APWZRJJASA-N -1 3 383.496 3.199 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CCO1 ZINC000824216417 609375144 /nfs/dbraw/zinc/37/51/44/609375144.db2.gz RCHDXRWMFVLSJC-APWZRJJASA-N -1 3 383.496 3.199 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(OC2CCCC2)nc1 ZINC000826453298 609375298 /nfs/dbraw/zinc/37/52/98/609375298.db2.gz FZBOSYHQIDKCLD-UHFFFAOYSA-N -1 3 384.827 3.489 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(OC2CCCC2)nc1 ZINC000826453298 609375300 /nfs/dbraw/zinc/37/53/00/609375300.db2.gz FZBOSYHQIDKCLD-UHFFFAOYSA-N -1 3 384.827 3.489 20 0 GGADHM Cc1ccc(F)cc1C(=O)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826289729 609376785 /nfs/dbraw/zinc/37/67/85/609376785.db2.gz KXKSVOPAQAPLKW-UHFFFAOYSA-N -1 3 381.411 3.186 20 0 GGADHM Cc1ccc(F)cc1C(=O)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826289729 609376787 /nfs/dbraw/zinc/37/67/87/609376787.db2.gz KXKSVOPAQAPLKW-UHFFFAOYSA-N -1 3 381.411 3.186 20 0 GGADHM Fc1ccc(COc2cc(Cl)cnc2Br)cc1-c1nn[n-]n1 ZINC000826374749 609377098 /nfs/dbraw/zinc/37/70/98/609377098.db2.gz LCGZTVZGGNNVJO-UHFFFAOYSA-N -1 3 384.596 3.396 20 0 GGADHM Fc1ccc(COc2cc(Cl)cnc2Br)cc1-c1nnn[n-]1 ZINC000826374749 609377095 /nfs/dbraw/zinc/37/70/95/609377095.db2.gz LCGZTVZGGNNVJO-UHFFFAOYSA-N -1 3 384.596 3.396 20 0 GGADHM CC[C@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCO1 ZINC000825182716 609378391 /nfs/dbraw/zinc/37/83/91/609378391.db2.gz LVBXFXIKLCHJEP-MJGOQNOKSA-N -1 3 385.512 3.447 20 0 GGADHM CC[C@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCO1 ZINC000825182716 609378393 /nfs/dbraw/zinc/37/83/93/609378393.db2.gz LVBXFXIKLCHJEP-MJGOQNOKSA-N -1 3 385.512 3.447 20 0 GGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825106414 609378893 /nfs/dbraw/zinc/37/88/93/609378893.db2.gz CCRVEZQROFZTGH-BVGQSLNGSA-N -1 3 386.500 3.211 20 0 GGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825106414 609378895 /nfs/dbraw/zinc/37/88/95/609378895.db2.gz CCRVEZQROFZTGH-BVGQSLNGSA-N -1 3 386.500 3.211 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000824214365 609379790 /nfs/dbraw/zinc/37/97/90/609379790.db2.gz FVHZEHIARFYXGI-ABAIWWIYSA-N -1 3 395.410 3.248 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000824214365 609379791 /nfs/dbraw/zinc/37/97/91/609379791.db2.gz FVHZEHIARFYXGI-ABAIWWIYSA-N -1 3 395.410 3.248 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000824214370 609380345 /nfs/dbraw/zinc/38/03/45/609380345.db2.gz FVHZEHIARFYXGI-IAQYHMDHSA-N -1 3 395.410 3.248 20 0 GGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000824214370 609380348 /nfs/dbraw/zinc/38/03/48/609380348.db2.gz FVHZEHIARFYXGI-IAQYHMDHSA-N -1 3 395.410 3.248 20 0 GGADHM O=C(CNc1c(F)cc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826413300 609381462 /nfs/dbraw/zinc/38/14/62/609381462.db2.gz ZRLDGGUQGWXOHQ-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM O=C(CNc1c(F)cc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826413300 609381465 /nfs/dbraw/zinc/38/14/65/609381465.db2.gz ZRLDGGUQGWXOHQ-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM O=C(CNc1c(F)cc(Cl)cc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826413112 609381722 /nfs/dbraw/zinc/38/17/22/609381722.db2.gz RMFLXJNGRVWVQK-UHFFFAOYSA-N -1 3 395.225 3.041 20 0 GGADHM O=C(CNc1c(F)cc(Cl)cc1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826413112 609381723 /nfs/dbraw/zinc/38/17/23/609381723.db2.gz RMFLXJNGRVWVQK-UHFFFAOYSA-N -1 3 395.225 3.041 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000826277819 609382425 /nfs/dbraw/zinc/38/24/25/609382425.db2.gz HWVMZJSOWMAWPV-OAHLLOKOSA-N -1 3 382.399 3.350 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000826277819 609382427 /nfs/dbraw/zinc/38/24/27/609382427.db2.gz HWVMZJSOWMAWPV-OAHLLOKOSA-N -1 3 382.399 3.350 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826463099 609387204 /nfs/dbraw/zinc/38/72/04/609387204.db2.gz STFFLQZRRWGJOW-CQSZACIVSA-N -1 3 380.404 3.242 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826463099 609387207 /nfs/dbraw/zinc/38/72/07/609387207.db2.gz STFFLQZRRWGJOW-CQSZACIVSA-N -1 3 380.404 3.242 20 0 GGADHM CC(C)(C)C[C@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824085476 609389695 /nfs/dbraw/zinc/38/96/95/609389695.db2.gz DFESIUNOXGLUTG-CQSZACIVSA-N -1 3 395.463 3.186 20 0 GGADHM CC(C)(C)C[C@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824085476 609389696 /nfs/dbraw/zinc/38/96/96/609389696.db2.gz DFESIUNOXGLUTG-CQSZACIVSA-N -1 3 395.463 3.186 20 0 GGADHM CC[C@H]1C[C@@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCO1 ZINC000825181632 609399521 /nfs/dbraw/zinc/39/95/21/609399521.db2.gz FGBCBVAIDOYZLS-FZMZJTMJSA-N -1 3 396.394 3.107 20 0 GGADHM CC[C@H]1C[C@@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCO1 ZINC000825181632 609399523 /nfs/dbraw/zinc/39/95/23/609399523.db2.gz FGBCBVAIDOYZLS-FZMZJTMJSA-N -1 3 396.394 3.107 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@H]1F ZINC000824953237 609400782 /nfs/dbraw/zinc/40/07/82/609400782.db2.gz CTZMGFDNTBVJCM-AUUYWEPGSA-N -1 3 395.438 3.266 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C[C@H]1F ZINC000824953237 609400785 /nfs/dbraw/zinc/40/07/85/609400785.db2.gz CTZMGFDNTBVJCM-AUUYWEPGSA-N -1 3 395.438 3.266 20 0 GGADHM C[C@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C[C@@H]1F ZINC000824957168 609401276 /nfs/dbraw/zinc/40/12/76/609401276.db2.gz WNVFCIMRHSPHAL-LIRRHRJNSA-N -1 3 395.438 3.266 20 0 GGADHM C[C@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C[C@@H]1F ZINC000824957168 609401277 /nfs/dbraw/zinc/40/12/77/609401277.db2.gz WNVFCIMRHSPHAL-LIRRHRJNSA-N -1 3 395.438 3.266 20 0 GGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000825106451 609402247 /nfs/dbraw/zinc/40/22/47/609402247.db2.gz CPPDZUGQOXYGJS-XJKSGUPXSA-N -1 3 377.876 3.234 20 0 GGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000825106451 609402250 /nfs/dbraw/zinc/40/22/50/609402250.db2.gz CPPDZUGQOXYGJS-XJKSGUPXSA-N -1 3 377.876 3.234 20 0 GGADHM C[C@H](OC(=O)CCCCNC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824715317 609403157 /nfs/dbraw/zinc/40/31/57/609403157.db2.gz RHIUJXJSIOHHJH-ZDUSSCGKSA-N -1 3 389.456 3.166 20 0 GGADHM C[C@H](OC(=O)CCCCNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824715317 609403160 /nfs/dbraw/zinc/40/31/60/609403160.db2.gz RHIUJXJSIOHHJH-ZDUSSCGKSA-N -1 3 389.456 3.166 20 0 GGADHM CC(C)[C@H]1C[C@@H](CC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824448674 609403396 /nfs/dbraw/zinc/40/33/96/609403396.db2.gz JYTICJPITODJAT-RVKKMQEKSA-N -1 3 388.468 3.019 20 0 GGADHM CC(C)[C@H]1C[C@@H](CC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824448674 609403399 /nfs/dbraw/zinc/40/33/99/609403399.db2.gz JYTICJPITODJAT-RVKKMQEKSA-N -1 3 388.468 3.019 20 0 GGADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825909114 609403590 /nfs/dbraw/zinc/40/35/90/609403590.db2.gz RYNKGRIYYWBSDY-FOIQADDNSA-N -1 3 391.475 3.157 20 0 GGADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825909114 609403591 /nfs/dbraw/zinc/40/35/91/609403591.db2.gz RYNKGRIYYWBSDY-FOIQADDNSA-N -1 3 391.475 3.157 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826417726 609405215 /nfs/dbraw/zinc/40/52/15/609405215.db2.gz BSZMVDHZQXVBLV-HNNXBMFYSA-N -1 3 395.438 3.181 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826417726 609405216 /nfs/dbraw/zinc/40/52/16/609405216.db2.gz BSZMVDHZQXVBLV-HNNXBMFYSA-N -1 3 395.438 3.181 20 0 GGADHM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1sccc1-c1nnn[n-]1 ZINC000826427389 609406201 /nfs/dbraw/zinc/40/62/01/609406201.db2.gz NUGPWDDNIDITSO-HNNXBMFYSA-N -1 3 379.367 3.062 20 0 GGADHM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000826427389 609406203 /nfs/dbraw/zinc/40/62/03/609406203.db2.gz NUGPWDDNIDITSO-HNNXBMFYSA-N -1 3 379.367 3.062 20 0 GGADHM CC(C)[C@H]1C[C@H](COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824217062 609406846 /nfs/dbraw/zinc/40/68/46/609406846.db2.gz XRPQLLKUPHZQDE-NVXWUHKLSA-N -1 3 390.509 3.094 20 0 GGADHM CC(C)[C@H]1C[C@H](COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824217062 609406848 /nfs/dbraw/zinc/40/68/48/609406848.db2.gz XRPQLLKUPHZQDE-NVXWUHKLSA-N -1 3 390.509 3.094 20 0 GGADHM CC(C)[C@@H]1C[C@H](COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824216466 609406961 /nfs/dbraw/zinc/40/69/61/609406961.db2.gz RXYQSHQLSBNMLJ-PBHICJAKSA-N -1 3 388.468 3.019 20 0 GGADHM CC(C)[C@@H]1C[C@H](COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824216466 609406963 /nfs/dbraw/zinc/40/69/63/609406963.db2.gz RXYQSHQLSBNMLJ-PBHICJAKSA-N -1 3 388.468 3.019 20 0 GGADHM CC(C)Oc1cc(F)ccc1N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824319198 609408189 /nfs/dbraw/zinc/40/81/89/609408189.db2.gz IWUFKFKIJMPWOL-LBPRGKRZSA-N -1 3 384.415 3.232 20 0 GGADHM CC(C)Oc1cc(F)ccc1N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824319198 609408191 /nfs/dbraw/zinc/40/81/91/609408191.db2.gz IWUFKFKIJMPWOL-LBPRGKRZSA-N -1 3 384.415 3.232 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826421810 609409529 /nfs/dbraw/zinc/40/95/29/609409529.db2.gz ALQCJZDECRDZRV-UHFFFAOYSA-N -1 3 379.439 3.391 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826421810 609409531 /nfs/dbraw/zinc/40/95/31/609409531.db2.gz ALQCJZDECRDZRV-UHFFFAOYSA-N -1 3 379.439 3.391 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cncc(F)c1 ZINC000824255609 609411390 /nfs/dbraw/zinc/41/13/90/609411390.db2.gz PXBBQUMXMRMSFN-CQSZACIVSA-N -1 3 397.458 3.330 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cncc(F)c1 ZINC000824255609 609411393 /nfs/dbraw/zinc/41/13/93/609411393.db2.gz PXBBQUMXMRMSFN-CQSZACIVSA-N -1 3 397.458 3.330 20 0 GGADHM Cc1ccc(C[C@@H](C)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826287032 609414871 /nfs/dbraw/zinc/41/48/71/609414871.db2.gz ZSDUFOPLLSYWLQ-MRXNPFEDSA-N -1 3 395.532 3.403 20 0 GGADHM Cc1ccc(C[C@@H](C)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826287032 609414874 /nfs/dbraw/zinc/41/48/74/609414874.db2.gz ZSDUFOPLLSYWLQ-MRXNPFEDSA-N -1 3 395.532 3.403 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826451325 609415435 /nfs/dbraw/zinc/41/54/35/609415435.db2.gz BCUKJUQQWNVSIL-UHFFFAOYSA-N -1 3 390.247 3.485 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451325 609415437 /nfs/dbraw/zinc/41/54/37/609415437.db2.gz BCUKJUQQWNVSIL-UHFFFAOYSA-N -1 3 390.247 3.485 20 0 GGADHM CCOc1ccc(-c2nc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)sc2C)cc1 ZINC000825621858 609418686 /nfs/dbraw/zinc/41/86/86/609418686.db2.gz ZJDOLNXJJJSXRR-UHFFFAOYSA-N -1 3 395.448 3.278 20 0 GGADHM CCOc1ccc(-c2nc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)sc2C)cc1 ZINC000825621858 609418687 /nfs/dbraw/zinc/41/86/87/609418687.db2.gz ZJDOLNXJJJSXRR-UHFFFAOYSA-N -1 3 395.448 3.278 20 0 GGADHM COc1cccc(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826217286 609419307 /nfs/dbraw/zinc/41/93/07/609419307.db2.gz GLGVHQAVKWIXDE-QGZVFWFLSA-N -1 3 381.461 3.163 20 0 GGADHM COc1cccc(S[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826217286 609419310 /nfs/dbraw/zinc/41/93/10/609419310.db2.gz GLGVHQAVKWIXDE-QGZVFWFLSA-N -1 3 381.461 3.163 20 0 GGADHM CN(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc2n1 ZINC000825875711 609435296 /nfs/dbraw/zinc/43/52/96/609435296.db2.gz WJFNHVLXYSCWLF-UHFFFAOYSA-N -1 3 393.838 3.387 20 0 GGADHM CN(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc2n1 ZINC000825875711 609435297 /nfs/dbraw/zinc/43/52/97/609435297.db2.gz WJFNHVLXYSCWLF-UHFFFAOYSA-N -1 3 393.838 3.387 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccn(-c2c(F)cccc2F)n1 ZINC000825631474 609436432 /nfs/dbraw/zinc/43/64/32/609436432.db2.gz BFYOVQMWGHDADQ-UHFFFAOYSA-N -1 3 397.389 3.341 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccn(-c2c(F)cccc2F)n1 ZINC000825631474 609436435 /nfs/dbraw/zinc/43/64/35/609436435.db2.gz BFYOVQMWGHDADQ-UHFFFAOYSA-N -1 3 397.389 3.341 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccn(-c2c(F)cccc2F)n1 ZINC000825481312 609436457 /nfs/dbraw/zinc/43/64/57/609436457.db2.gz WNKSHALZWLENFY-UHFFFAOYSA-N -1 3 396.405 3.375 20 0 GGADHM CC(C)Nc1cc(F)ccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824304561 609438184 /nfs/dbraw/zinc/43/81/84/609438184.db2.gz AZOUINLNXUPYMZ-KRWDZBQOSA-N -1 3 395.442 3.044 20 0 GGADHM CC(C)Nc1cc(F)ccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824304561 609438186 /nfs/dbraw/zinc/43/81/86/609438186.db2.gz AZOUINLNXUPYMZ-KRWDZBQOSA-N -1 3 395.442 3.044 20 0 GGADHM Fc1ccc(NCc2nn(-c3ccccc3)c3c2CCC3)cc1-c1nnn[n-]1 ZINC000826375429 609438790 /nfs/dbraw/zinc/43/87/90/609438790.db2.gz NHWHUUOZTPBUJN-UHFFFAOYSA-N -1 3 375.411 3.292 20 0 GGADHM Fc1ccc(NCc2nn(-c3ccccc3)c3c2CCC3)cc1-c1nn[n-]n1 ZINC000826375429 609438792 /nfs/dbraw/zinc/43/87/92/609438792.db2.gz NHWHUUOZTPBUJN-UHFFFAOYSA-N -1 3 375.411 3.292 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499425 609440974 /nfs/dbraw/zinc/44/09/74/609440974.db2.gz OZSHJVKOOJVZFQ-LIRRHRJNSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499425 609440978 /nfs/dbraw/zinc/44/09/78/609440978.db2.gz OZSHJVKOOJVZFQ-LIRRHRJNSA-N -1 3 392.463 3.073 20 0 GGADHM COCc1cccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826164947 609443699 /nfs/dbraw/zinc/44/36/99/609443699.db2.gz YIEAKCYBZWPZPJ-UHFFFAOYSA-N -1 3 395.854 3.464 20 0 GGADHM Clc1ccc(-n2ccc(NCc3noc4c3CCCC4)n2)c(-c2nnn[n-]2)c1 ZINC000826351292 609446528 /nfs/dbraw/zinc/44/65/28/609446528.db2.gz HFCLOASKOZIQSO-UHFFFAOYSA-N -1 3 396.842 3.185 20 0 GGADHM Clc1ccc(-n2ccc(NCc3noc4c3CCCC4)n2)c(-c2nn[n-]n2)c1 ZINC000826351292 609446530 /nfs/dbraw/zinc/44/65/30/609446530.db2.gz HFCLOASKOZIQSO-UHFFFAOYSA-N -1 3 396.842 3.185 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CC1)OCCc1ccsc12 ZINC000826452341 609448950 /nfs/dbraw/zinc/44/89/50/609448950.db2.gz PYIFTTYCWNBMNL-UHFFFAOYSA-N -1 3 396.476 3.024 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CC1)OCCc1ccsc12 ZINC000826452341 609448953 /nfs/dbraw/zinc/44/89/53/609448953.db2.gz PYIFTTYCWNBMNL-UHFFFAOYSA-N -1 3 396.476 3.024 20 0 GGADHM O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826460220 609449054 /nfs/dbraw/zinc/44/90/54/609449054.db2.gz SEDWNSJGRIQQFC-GFCCVEGCSA-N -1 3 391.460 3.176 20 0 GGADHM O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826460220 609449057 /nfs/dbraw/zinc/44/90/57/609449057.db2.gz SEDWNSJGRIQQFC-GFCCVEGCSA-N -1 3 391.460 3.176 20 0 GGADHM COc1coc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1=O ZINC000826221719 609452672 /nfs/dbraw/zinc/45/26/72/609452672.db2.gz RTDVLQXGWIKDLF-UHFFFAOYSA-N -1 3 384.339 3.140 20 0 GGADHM COc1coc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1=O ZINC000826221719 609452674 /nfs/dbraw/zinc/45/26/74/609452674.db2.gz RTDVLQXGWIKDLF-UHFFFAOYSA-N -1 3 384.339 3.140 20 0 GGADHM c1[nH]c2ccccc2c1C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826523004 609460470 /nfs/dbraw/zinc/46/04/70/609460470.db2.gz WVAXLPDLJURSJT-UHFFFAOYSA-N -1 3 384.447 3.380 20 0 GGADHM c1[nH]c2ccccc2c1C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826523004 609460472 /nfs/dbraw/zinc/46/04/72/609460472.db2.gz WVAXLPDLJURSJT-UHFFFAOYSA-N -1 3 384.447 3.380 20 0 GGADHM FC(F)(F)COc1ccccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826367572 609464626 /nfs/dbraw/zinc/46/46/26/609464626.db2.gz FCEJGOMTYJIPDO-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM FC(F)(F)COc1ccccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826367572 609464628 /nfs/dbraw/zinc/46/46/28/609464628.db2.gz FCEJGOMTYJIPDO-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM c1ccc([C@H]2OCCC[C@H]2CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826520136 609464842 /nfs/dbraw/zinc/46/48/42/609464842.db2.gz BFUFJHALVWGECQ-MAUKXSAKSA-N -1 3 375.436 3.094 20 0 GGADHM c1ccc([C@H]2OCCC[C@H]2CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826520136 609464843 /nfs/dbraw/zinc/46/48/43/609464843.db2.gz BFUFJHALVWGECQ-MAUKXSAKSA-N -1 3 375.436 3.094 20 0 GGADHM Clc1ccc(N2CC[C@@H](CNc3nc4ccccn4c3-c3nnn[n-]3)C2)cc1 ZINC000826352343 609466404 /nfs/dbraw/zinc/46/64/04/609466404.db2.gz XOZZETXFOSJICL-ZDUSSCGKSA-N -1 3 394.870 3.106 20 0 GGADHM Clc1ccc(N2CC[C@@H](CNc3nc4ccccn4c3-c3nn[n-]n3)C2)cc1 ZINC000826352343 609466406 /nfs/dbraw/zinc/46/64/06/609466406.db2.gz XOZZETXFOSJICL-ZDUSSCGKSA-N -1 3 394.870 3.106 20 0 GGADHM Fc1cc(CNc2nc3ccccn3c2-c2nnn[n-]2)ccc1Br ZINC000826372067 609467239 /nfs/dbraw/zinc/46/72/39/609467239.db2.gz GFAGOVIQIQBVGW-UHFFFAOYSA-N -1 3 388.204 3.028 20 0 GGADHM Fc1cc(CNc2nc3ccccn3c2-c2nn[n-]n2)ccc1Br ZINC000826372067 609467241 /nfs/dbraw/zinc/46/72/41/609467241.db2.gz GFAGOVIQIQBVGW-UHFFFAOYSA-N -1 3 388.204 3.028 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1O ZINC000826281832 609470141 /nfs/dbraw/zinc/47/01/41/609470141.db2.gz LTKTUAYCSONUSV-UHFFFAOYSA-N -1 3 385.427 3.478 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1O ZINC000826281832 609470143 /nfs/dbraw/zinc/47/01/43/609470143.db2.gz LTKTUAYCSONUSV-UHFFFAOYSA-N -1 3 385.427 3.478 20 0 GGADHM CCOCc1cc(CNc2cc(-c3nnn[n-]3)ccc2OCC)ccc1OC ZINC000825604901 609475981 /nfs/dbraw/zinc/47/59/81/609475981.db2.gz LPIAERQSWYSJTB-UHFFFAOYSA-N -1 3 383.452 3.423 20 0 GGADHM CCOCc1cc(CNc2cc(-c3nn[n-]n3)ccc2OCC)ccc1OC ZINC000825604901 609475983 /nfs/dbraw/zinc/47/59/83/609475983.db2.gz LPIAERQSWYSJTB-UHFFFAOYSA-N -1 3 383.452 3.423 20 0 GGADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826259368 609476591 /nfs/dbraw/zinc/47/65/91/609476591.db2.gz PWZXDNFJLHXCDV-UHFFFAOYSA-N -1 3 382.443 3.312 20 0 GGADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826259368 609476594 /nfs/dbraw/zinc/47/65/94/609476594.db2.gz PWZXDNFJLHXCDV-UHFFFAOYSA-N -1 3 382.443 3.312 20 0 GGADHM COc1cc(OC)c(OC)cc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826181451 609478274 /nfs/dbraw/zinc/47/82/74/609478274.db2.gz ZRXXAZMQSSFKTA-UHFFFAOYSA-N -1 3 399.451 3.292 20 0 GGADHM COc1cc(OC)c(OC)cc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826181451 609478277 /nfs/dbraw/zinc/47/82/77/609478277.db2.gz ZRXXAZMQSSFKTA-UHFFFAOYSA-N -1 3 399.451 3.292 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1sc2nc(C)nc(C)c2c1C ZINC000826186760 609481314 /nfs/dbraw/zinc/48/13/14/609481314.db2.gz JPJUAGCGDPPQQA-UHFFFAOYSA-N -1 3 381.465 3.417 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1sc2nc(C)nc(C)c2c1C ZINC000826186760 609481316 /nfs/dbraw/zinc/48/13/16/609481316.db2.gz JPJUAGCGDPPQQA-UHFFFAOYSA-N -1 3 381.465 3.417 20 0 GGADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1-n1nnnc1C(C)C ZINC000826271096 609482195 /nfs/dbraw/zinc/48/21/95/609482195.db2.gz BZVMPHIBKGSHSY-UHFFFAOYSA-N -1 3 393.430 3.025 20 0 GGADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1-n1nnnc1C(C)C ZINC000826271096 609482198 /nfs/dbraw/zinc/48/21/98/609482198.db2.gz BZVMPHIBKGSHSY-UHFFFAOYSA-N -1 3 393.430 3.025 20 0 GGADHM Cc1ccnn1-c1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826315507 609484479 /nfs/dbraw/zinc/48/44/79/609484479.db2.gz LOMXPQIOIRWSPV-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM Cc1ccnn1-c1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826315507 609484481 /nfs/dbraw/zinc/48/44/81/609484481.db2.gz LOMXPQIOIRWSPV-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM CCOc1cccc(COc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000825649656 609489031 /nfs/dbraw/zinc/48/90/31/609489031.db2.gz UKWDHXIXCHIELM-UHFFFAOYSA-N -1 3 376.214 3.002 20 0 GGADHM CCOc1cccc(COc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000825649656 609489034 /nfs/dbraw/zinc/48/90/34/609489034.db2.gz UKWDHXIXCHIELM-UHFFFAOYSA-N -1 3 376.214 3.002 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cnn(CCC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000825687965 609499194 /nfs/dbraw/zinc/49/91/94/609499194.db2.gz OWIPGFQJDQXLRX-UHFFFAOYSA-N -1 3 399.402 3.200 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cnn(CCC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000825687965 609499195 /nfs/dbraw/zinc/49/91/95/609499195.db2.gz OWIPGFQJDQXLRX-UHFFFAOYSA-N -1 3 399.402 3.200 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc(F)cn1 ZINC000826457106 609500856 /nfs/dbraw/zinc/50/08/56/609500856.db2.gz MEHRQRWGTHJQBB-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000826245391 609504876 /nfs/dbraw/zinc/50/48/76/609504876.db2.gz WPVXBIKYLHMYMI-MRXNPFEDSA-N -1 3 395.467 3.439 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000826245391 609504877 /nfs/dbraw/zinc/50/48/77/609504877.db2.gz WPVXBIKYLHMYMI-MRXNPFEDSA-N -1 3 395.467 3.439 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260474 609506967 /nfs/dbraw/zinc/50/69/67/609506967.db2.gz PSMBEVAYQGKPAR-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260474 609506969 /nfs/dbraw/zinc/50/69/69/609506969.db2.gz PSMBEVAYQGKPAR-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824532622 609509633 /nfs/dbraw/zinc/50/96/33/609509633.db2.gz VVQNGNMMQGYGAU-MJBXVCDLSA-N -1 3 394.454 3.023 20 0 GGADHM O=C(Nc1sccc1-c1nnn[n-]1)c1csc(Cc2cccc(F)c2)n1 ZINC000826461281 609509933 /nfs/dbraw/zinc/50/99/33/609509933.db2.gz NNKYDLVCNOGHGL-UHFFFAOYSA-N -1 3 386.437 3.367 20 0 GGADHM O=C(Nc1sccc1-c1nn[n-]n1)c1csc(Cc2cccc(F)c2)n1 ZINC000826461281 609509935 /nfs/dbraw/zinc/50/99/35/609509935.db2.gz NNKYDLVCNOGHGL-UHFFFAOYSA-N -1 3 386.437 3.367 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826421980 609516738 /nfs/dbraw/zinc/51/67/38/609516738.db2.gz IJURZVRNYMVCHD-HNNXBMFYSA-N -1 3 397.307 3.107 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826421980 609516740 /nfs/dbraw/zinc/51/67/40/609516740.db2.gz IJURZVRNYMVCHD-HNNXBMFYSA-N -1 3 397.307 3.107 20 0 GGADHM Cc1cc(C(=O)N(Cc2ccccc2)C2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257462 609517833 /nfs/dbraw/zinc/51/78/33/609517833.db2.gz DIZGTDKVXMGRBD-UHFFFAOYSA-N -1 3 399.458 3.166 20 0 GGADHM Cc1cc(C(=O)N(Cc2ccccc2)C2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257462 609517834 /nfs/dbraw/zinc/51/78/34/609517834.db2.gz DIZGTDKVXMGRBD-UHFFFAOYSA-N -1 3 399.458 3.166 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000506330816 609520381 /nfs/dbraw/zinc/52/03/81/609520381.db2.gz LTMDLPZIQOQSKV-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000506330816 609520383 /nfs/dbraw/zinc/52/03/83/609520383.db2.gz LTMDLPZIQOQSKV-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1Cl ZINC000826442892 609520734 /nfs/dbraw/zinc/52/07/34/609520734.db2.gz OSRZHLKAXWELNS-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1Cl ZINC000826442892 609520737 /nfs/dbraw/zinc/52/07/37/609520737.db2.gz OSRZHLKAXWELNS-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825443709 609525944 /nfs/dbraw/zinc/52/59/44/609525944.db2.gz DYSWWGIFZLMKSH-UHFFFAOYSA-N -1 3 398.275 3.389 20 0 GGADHM CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825443709 609525945 /nfs/dbraw/zinc/52/59/45/609525945.db2.gz DYSWWGIFZLMKSH-UHFFFAOYSA-N -1 3 398.275 3.389 20 0 GGADHM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825445210 609526110 /nfs/dbraw/zinc/52/61/10/609526110.db2.gz XIMGKFGHKDQFGE-UHFFFAOYSA-N -1 3 391.884 3.352 20 0 GGADHM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825445210 609526111 /nfs/dbraw/zinc/52/61/11/609526111.db2.gz XIMGKFGHKDQFGE-UHFFFAOYSA-N -1 3 391.884 3.352 20 0 GGADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCO1 ZINC000825181050 609529592 /nfs/dbraw/zinc/52/95/92/609529592.db2.gz BVYKMFLQULONOZ-ZBFHGGJFSA-N -1 3 394.435 3.198 20 0 GGADHM CC[C@H]1C[C@@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)CCO1 ZINC000825184480 609529874 /nfs/dbraw/zinc/52/98/74/609529874.db2.gz VEQSDJBLKUETJX-RDJZCZTQSA-N -1 3 394.479 3.418 20 0 GGADHM CC[C@H]1C[C@@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)CCO1 ZINC000825184480 609529875 /nfs/dbraw/zinc/52/98/75/609529875.db2.gz VEQSDJBLKUETJX-RDJZCZTQSA-N -1 3 394.479 3.418 20 0 GGADHM CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825322440 609533843 /nfs/dbraw/zinc/53/38/43/609533843.db2.gz DOHDBKXGPDMJIJ-UHFFFAOYSA-N -1 3 391.884 3.121 20 0 GGADHM CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825322440 609533844 /nfs/dbraw/zinc/53/38/44/609533844.db2.gz DOHDBKXGPDMJIJ-UHFFFAOYSA-N -1 3 391.884 3.121 20 0 GGADHM CCCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825341932 609534039 /nfs/dbraw/zinc/53/40/39/609534039.db2.gz MTHZJLVMTTZUEM-UHFFFAOYSA-N -1 3 394.840 3.077 20 0 GGADHM CCCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825341932 609534041 /nfs/dbraw/zinc/53/40/41/609534041.db2.gz MTHZJLVMTTZUEM-UHFFFAOYSA-N -1 3 394.840 3.077 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826271855 609535087 /nfs/dbraw/zinc/53/50/87/609535087.db2.gz KHKXYBIYSQOXNN-UHOSZYNNSA-N -1 3 391.431 3.331 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826271855 609535089 /nfs/dbraw/zinc/53/50/89/609535089.db2.gz KHKXYBIYSQOXNN-UHOSZYNNSA-N -1 3 391.431 3.331 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccnc(OCC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826240176 609535361 /nfs/dbraw/zinc/53/53/61/609535361.db2.gz HFCLULIGGGWIJC-UHFFFAOYSA-N -1 3 399.764 3.172 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccnc(OCC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826240176 609535363 /nfs/dbraw/zinc/53/53/63/609535363.db2.gz HFCLULIGGGWIJC-UHFFFAOYSA-N -1 3 399.764 3.172 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(C)s1 ZINC000826262600 609537319 /nfs/dbraw/zinc/53/73/19/609537319.db2.gz SWRQFPXNWIRSGE-SECBINFHSA-N -1 3 397.913 3.238 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(C)s1 ZINC000826262600 609537321 /nfs/dbraw/zinc/53/73/21/609537321.db2.gz SWRQFPXNWIRSGE-SECBINFHSA-N -1 3 397.913 3.238 20 0 GGADHM CCc1cccc2c1N(C(=O)c1cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n1)CC2 ZINC000825722463 609541133 /nfs/dbraw/zinc/54/11/33/609541133.db2.gz HFNRIKIUVCUZAX-UHFFFAOYSA-N -1 3 399.458 3.126 20 0 GGADHM CCc1cccc2c1N(C(=O)c1cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n1)CC2 ZINC000825722463 609541134 /nfs/dbraw/zinc/54/11/34/609541134.db2.gz HFNRIKIUVCUZAX-UHFFFAOYSA-N -1 3 399.458 3.126 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(N3CCOC3=O)c2)c1-c1nnn[n-]1 ZINC000826239021 609541171 /nfs/dbraw/zinc/54/11/71/609541171.db2.gz WEPJCPDDYGLRAC-LLVKDONJSA-N -1 3 399.842 3.353 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(N3CCOC3=O)c2)c1-c1nn[n-]n1 ZINC000826239021 609541173 /nfs/dbraw/zinc/54/11/73/609541173.db2.gz WEPJCPDDYGLRAC-LLVKDONJSA-N -1 3 399.842 3.353 20 0 GGADHM Cc1ccc(NC(=O)CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826291155 609542103 /nfs/dbraw/zinc/54/21/03/609542103.db2.gz RYUXKNOGXUTCKM-UHFFFAOYSA-N -1 3 392.250 3.236 20 0 GGADHM Cc1ccc(NC(=O)CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826291155 609542104 /nfs/dbraw/zinc/54/21/04/609542104.db2.gz RYUXKNOGXUTCKM-UHFFFAOYSA-N -1 3 392.250 3.236 20 0 GGADHM CCc1nc2ccccc2n1CCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825750062 609543491 /nfs/dbraw/zinc/54/34/91/609543491.db2.gz KELVNVLCHICSFF-UHFFFAOYSA-N -1 3 382.859 3.248 20 0 GGADHM CCc1nc2ccccc2n1CCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825750062 609543494 /nfs/dbraw/zinc/54/34/94/609543494.db2.gz KELVNVLCHICSFF-UHFFFAOYSA-N -1 3 382.859 3.248 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000826186196 609543617 /nfs/dbraw/zinc/54/36/17/609543617.db2.gz JEDUWCWBVRFSOO-INIZCTEOSA-N -1 3 379.420 3.022 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000826186196 609543619 /nfs/dbraw/zinc/54/36/19/609543619.db2.gz JEDUWCWBVRFSOO-INIZCTEOSA-N -1 3 379.420 3.022 20 0 GGADHM Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826307324 609546020 /nfs/dbraw/zinc/54/60/20/609546020.db2.gz CZHBLNDWGFOJPK-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826307324 609546023 /nfs/dbraw/zinc/54/60/23/609546023.db2.gz CZHBLNDWGFOJPK-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825830827 609552045 /nfs/dbraw/zinc/55/20/45/609552045.db2.gz ZECBAMSBUIFRDI-INIZCTEOSA-N -1 3 381.411 3.176 20 0 GGADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825830827 609552047 /nfs/dbraw/zinc/55/20/47/609552047.db2.gz ZECBAMSBUIFRDI-INIZCTEOSA-N -1 3 381.411 3.176 20 0 GGADHM CCCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825348618 609555945 /nfs/dbraw/zinc/55/59/45/609555945.db2.gz SIPDTEIXOFLYHL-UHFFFAOYSA-N -1 3 378.841 3.240 20 0 GGADHM CCCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825348618 609555947 /nfs/dbraw/zinc/55/59/47/609555947.db2.gz SIPDTEIXOFLYHL-UHFFFAOYSA-N -1 3 378.841 3.240 20 0 GGADHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826282840 609556799 /nfs/dbraw/zinc/55/67/99/609556799.db2.gz DBMNALVCZJMCDT-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826282840 609556800 /nfs/dbraw/zinc/55/68/00/609556800.db2.gz DBMNALVCZJMCDT-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccnc(N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826313086 609562387 /nfs/dbraw/zinc/56/23/87/609562387.db2.gz WADJDYGLEIIOFL-UONOGXRCSA-N -1 3 387.488 3.066 20 0 GGADHM Cc1ccnc(N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826313086 609562388 /nfs/dbraw/zinc/56/23/88/609562388.db2.gz WADJDYGLEIIOFL-UONOGXRCSA-N -1 3 387.488 3.066 20 0 GGADHM Cc1cc(Nc2nnc(C)c(C)c2-c2nnn[n-]2)cnc1N1CCCC[C@@H]1C ZINC000826271301 609563596 /nfs/dbraw/zinc/56/35/96/609563596.db2.gz MEIAEFBBVWCTEY-LBPRGKRZSA-N -1 3 379.472 3.099 20 0 GGADHM Cc1cc(Nc2nnc(C)c(C)c2-c2nn[n-]n2)cnc1N1CCCC[C@@H]1C ZINC000826271301 609563597 /nfs/dbraw/zinc/56/35/97/609563597.db2.gz MEIAEFBBVWCTEY-LBPRGKRZSA-N -1 3 379.472 3.099 20 0 GGADHM Cc1cc(N[C@@H](C)[C@@H]2CCCOC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826270991 609565330 /nfs/dbraw/zinc/56/53/30/609565330.db2.gz XLSDUFYXHCOOQY-UONOGXRCSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1cc(N[C@@H](C)[C@@H]2CCCOC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826270991 609565332 /nfs/dbraw/zinc/56/53/32/609565332.db2.gz XLSDUFYXHCOOQY-UONOGXRCSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259141 609567720 /nfs/dbraw/zinc/56/77/20/609567720.db2.gz JDTZWDGJSUWIDZ-YQQAZPJKSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259141 609567723 /nfs/dbraw/zinc/56/77/23/609567723.db2.gz JDTZWDGJSUWIDZ-YQQAZPJKSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1cc(C(=O)N2CC(C)(C)c3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257614 609574499 /nfs/dbraw/zinc/57/44/99/609574499.db2.gz JGADXXGWUCSVTE-UHFFFAOYSA-N -1 3 399.458 3.299 20 0 GGADHM Cc1cc(C(=O)N2CC(C)(C)c3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257614 609574501 /nfs/dbraw/zinc/57/45/01/609574501.db2.gz JGADXXGWUCSVTE-UHFFFAOYSA-N -1 3 399.458 3.299 20 0 GGADHM Cc1c(Cl)cnc(N2CC(c3nc4ccccc4s3)C2)c1-c1nnn[n-]1 ZINC000826237138 609574632 /nfs/dbraw/zinc/57/46/32/609574632.db2.gz PNNQPSKJTAKMCU-UHFFFAOYSA-N -1 3 383.868 3.437 20 0 GGADHM Cc1c(Cl)cnc(N2CC(c3nc4ccccc4s3)C2)c1-c1nn[n-]n1 ZINC000826237138 609574634 /nfs/dbraw/zinc/57/46/34/609574634.db2.gz PNNQPSKJTAKMCU-UHFFFAOYSA-N -1 3 383.868 3.437 20 0 GGADHM COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(Cl)c1 ZINC000826187346 609579665 /nfs/dbraw/zinc/57/96/65/609579665.db2.gz MCICAAUQQDKJDG-UHFFFAOYSA-N -1 3 399.838 3.439 20 0 GGADHM COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(Cl)c1 ZINC000826187346 609579666 /nfs/dbraw/zinc/57/96/66/609579666.db2.gz MCICAAUQQDKJDG-UHFFFAOYSA-N -1 3 399.838 3.439 20 0 GGADHM Cc1cc(C(=O)Nc2ncc(C(C)C)s2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260901 609589675 /nfs/dbraw/zinc/58/96/75/609589675.db2.gz JNVLBVBKWSISHN-UHFFFAOYSA-N -1 3 394.464 3.193 20 0 GGADHM Cc1cc(C(=O)Nc2ncc(C(C)C)s2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260901 609589677 /nfs/dbraw/zinc/58/96/77/609589677.db2.gz JNVLBVBKWSISHN-UHFFFAOYSA-N -1 3 394.464 3.193 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000826253938 609598423 /nfs/dbraw/zinc/59/84/23/609598423.db2.gz LRDYQVZIQJTUAU-IBGZPJMESA-N -1 3 378.432 3.426 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000826253938 609598426 /nfs/dbraw/zinc/59/84/26/609598426.db2.gz LRDYQVZIQJTUAU-IBGZPJMESA-N -1 3 378.432 3.426 20 0 GGADHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)cnc1N1CCCC[C@@H]1C ZINC000826270949 609598872 /nfs/dbraw/zinc/59/88/72/609598872.db2.gz VNGBTMNDEMRIOO-LBPRGKRZSA-N -1 3 383.481 3.263 20 0 GGADHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)cnc1N1CCCC[C@@H]1C ZINC000826270949 609598875 /nfs/dbraw/zinc/59/88/75/609598875.db2.gz VNGBTMNDEMRIOO-LBPRGKRZSA-N -1 3 383.481 3.263 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(-c3nnn[n-]3)cc1)[C@H](C)C2 ZINC000826294515 609601650 /nfs/dbraw/zinc/60/16/50/609601650.db2.gz UBKKZSQOXIFQDT-BFUOFWGJSA-N -1 3 379.489 3.317 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(-c3nn[n-]n3)cc1)[C@H](C)C2 ZINC000826294515 609601652 /nfs/dbraw/zinc/60/16/52/609601652.db2.gz UBKKZSQOXIFQDT-BFUOFWGJSA-N -1 3 379.489 3.317 20 0 GGADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825012073 609604738 /nfs/dbraw/zinc/60/47/38/609604738.db2.gz CYYDEMOMPGOAGZ-ZUOKHONESA-N -1 3 395.488 3.315 20 0 GGADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000825012073 609604739 /nfs/dbraw/zinc/60/47/39/609604739.db2.gz CYYDEMOMPGOAGZ-ZUOKHONESA-N -1 3 395.488 3.315 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000826246025 609605090 /nfs/dbraw/zinc/60/50/90/609605090.db2.gz PDJUEFCAKRWLPC-KRWDZBQOSA-N -1 3 375.354 3.383 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000826246025 609605091 /nfs/dbraw/zinc/60/50/91/609605091.db2.gz PDJUEFCAKRWLPC-KRWDZBQOSA-N -1 3 375.354 3.383 20 0 GGADHM Cc1cc(C(=O)Oc2c(F)cccc2Cl)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261829 609606439 /nfs/dbraw/zinc/60/64/39/609606439.db2.gz UKBJHHRQDUZKHT-UHFFFAOYSA-N -1 3 398.785 3.373 20 0 GGADHM Cc1cc(C(=O)Oc2c(F)cccc2Cl)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261829 609606441 /nfs/dbraw/zinc/60/64/41/609606441.db2.gz UKBJHHRQDUZKHT-UHFFFAOYSA-N -1 3 398.785 3.373 20 0 GGADHM O=C(NC12CCC(CC1)C2)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826428559 609609598 /nfs/dbraw/zinc/60/95/98/609609598.db2.gz FJAFRLUFLIWNLI-UHFFFAOYSA-N -1 3 379.420 3.101 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)cc2)o1 ZINC000826334576 609614739 /nfs/dbraw/zinc/61/47/39/609614739.db2.gz ALUKVGWVVQJOLR-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1nnc(-c2ccc(C(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)cc2)o1 ZINC000826334576 609614741 /nfs/dbraw/zinc/61/47/41/609614741.db2.gz ALUKVGWVVQJOLR-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM O=C(CCSc1ccccn1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826408104 609614804 /nfs/dbraw/zinc/61/48/04/609614804.db2.gz PROSAKAZSXHJSJ-UHFFFAOYSA-N -1 3 375.841 3.141 20 0 GGADHM O=C(CCSc1ccccn1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826408104 609614805 /nfs/dbraw/zinc/61/48/05/609614805.db2.gz PROSAKAZSXHJSJ-UHFFFAOYSA-N -1 3 375.841 3.141 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnc(-c2ccccc2)nc1 ZINC000826465496 609615175 /nfs/dbraw/zinc/61/51/75/609615175.db2.gz PPQGVDRYWRBZQI-UHFFFAOYSA-N -1 3 392.806 3.334 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnc(-c2ccccc2)nc1 ZINC000826465496 609615176 /nfs/dbraw/zinc/61/51/76/609615176.db2.gz PPQGVDRYWRBZQI-UHFFFAOYSA-N -1 3 392.806 3.334 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000826465449 609615194 /nfs/dbraw/zinc/61/51/94/609615194.db2.gz NPABAXBPLKECKZ-OXJNMPFZSA-N -1 3 396.834 3.304 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000826465449 609615195 /nfs/dbraw/zinc/61/51/95/609615195.db2.gz NPABAXBPLKECKZ-OXJNMPFZSA-N -1 3 396.834 3.304 20 0 GGADHM CCCn1ncc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1C1CC1 ZINC000825361513 609615733 /nfs/dbraw/zinc/61/57/33/609615733.db2.gz DLCHUEWLCRDOCF-UHFFFAOYSA-N -1 3 386.843 3.361 20 0 GGADHM CCCn1ncc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1C1CC1 ZINC000825361513 609615734 /nfs/dbraw/zinc/61/57/34/609615734.db2.gz DLCHUEWLCRDOCF-UHFFFAOYSA-N -1 3 386.843 3.361 20 0 GGADHM C[C@H](Oc1ccc(F)cc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824739491 609615873 /nfs/dbraw/zinc/61/58/73/609615873.db2.gz XVUATPPEVPCQAU-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@H](Oc1ccc(F)cc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824739491 609615875 /nfs/dbraw/zinc/61/58/75/609615875.db2.gz XVUATPPEVPCQAU-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM O=C(CCOc1cccc(F)c1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826407922 609616161 /nfs/dbraw/zinc/61/61/61/609616161.db2.gz IHDUDLMMAVRSHI-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM O=C(CCOc1cccc(F)c1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826407922 609616163 /nfs/dbraw/zinc/61/61/63/609616163.db2.gz IHDUDLMMAVRSHI-UHFFFAOYSA-N -1 3 376.775 3.172 20 0 GGADHM O=C(Nc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1)C1CC1 ZINC000826465429 609616777 /nfs/dbraw/zinc/61/67/77/609616777.db2.gz NAIBWFQSUIPXIM-UHFFFAOYSA-N -1 3 397.822 3.226 20 0 GGADHM O=C(Nc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1)C1CC1 ZINC000826465429 609616778 /nfs/dbraw/zinc/61/67/78/609616778.db2.gz NAIBWFQSUIPXIM-UHFFFAOYSA-N -1 3 397.822 3.226 20 0 GGADHM CCOc1ccccc1OCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825659591 609617240 /nfs/dbraw/zinc/61/72/40/609617240.db2.gz VWGXITYZKZSHBR-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM CCOc1ccccc1OCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825659591 609617241 /nfs/dbraw/zinc/61/72/41/609617241.db2.gz VWGXITYZKZSHBR-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000826465214 609617548 /nfs/dbraw/zinc/61/75/48/609617548.db2.gz DBHJKRGZGPHEGV-UHFFFAOYSA-N -1 3 397.822 3.004 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(N2CCCC2=O)cc1 ZINC000826465214 609617549 /nfs/dbraw/zinc/61/75/49/609617549.db2.gz DBHJKRGZGPHEGV-UHFFFAOYSA-N -1 3 397.822 3.004 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826337929 609617801 /nfs/dbraw/zinc/61/78/01/609617801.db2.gz FXUYMRCINFINOA-VIFPVBQESA-N -1 3 375.816 3.362 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826337929 609617803 /nfs/dbraw/zinc/61/78/03/609617803.db2.gz FXUYMRCINFINOA-VIFPVBQESA-N -1 3 375.816 3.362 20 0 GGADHM O=C(C[C@@H]1OCCc2ccccc21)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826404513 609617891 /nfs/dbraw/zinc/61/78/91/609617891.db2.gz CNSPQLKIUCZQKR-KRWDZBQOSA-N -1 3 384.823 3.267 20 0 GGADHM O=C(C[C@@H]1OCCc2ccccc21)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826404513 609617894 /nfs/dbraw/zinc/61/78/94/609617894.db2.gz CNSPQLKIUCZQKR-KRWDZBQOSA-N -1 3 384.823 3.267 20 0 GGADHM C[C@H](Oc1cccc(F)c1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824744802 609618133 /nfs/dbraw/zinc/61/81/33/609618133.db2.gz GIAUZCWGZXIEDX-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@H](Oc1cccc(F)c1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824744802 609618134 /nfs/dbraw/zinc/61/81/34/609618134.db2.gz GIAUZCWGZXIEDX-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@@H](OC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824864915 609623336 /nfs/dbraw/zinc/62/33/36/609623336.db2.gz GAPIJCGHHSGJCX-MCIONIFRSA-N -1 3 385.468 3.199 20 0 GGADHM C[C@@H](OC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824864915 609623338 /nfs/dbraw/zinc/62/33/38/609623338.db2.gz GAPIJCGHHSGJCX-MCIONIFRSA-N -1 3 385.468 3.199 20 0 GGADHM C[C@@H]1C[C@H](C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC(C)(C)C1 ZINC000824877372 609623348 /nfs/dbraw/zinc/62/33/48/609623348.db2.gz XXLMIUPVNZNFNP-DOMZBBRYSA-N -1 3 396.451 3.422 20 0 GGADHM C[C@@H]1C[C@H](C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC(C)(C)C1 ZINC000824877372 609623350 /nfs/dbraw/zinc/62/33/50/609623350.db2.gz XXLMIUPVNZNFNP-DOMZBBRYSA-N -1 3 396.451 3.422 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(CF)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261838 609627220 /nfs/dbraw/zinc/62/72/20/609627220.db2.gz UWSSXFANVVGXNB-UHFFFAOYSA-N -1 3 392.394 3.187 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(CF)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261838 609627221 /nfs/dbraw/zinc/62/72/21/609627221.db2.gz UWSSXFANVVGXNB-UHFFFAOYSA-N -1 3 392.394 3.187 20 0 GGADHM C[C@H](CCSc1ccccc1)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406489 609630107 /nfs/dbraw/zinc/63/01/07/609630107.db2.gz LLQMXOHUVGLSOY-DYVFJYSZSA-N -1 3 384.461 3.014 20 0 GGADHM C[C@H](CCSc1ccccc1)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406489 609630108 /nfs/dbraw/zinc/63/01/08/609630108.db2.gz LLQMXOHUVGLSOY-DYVFJYSZSA-N -1 3 384.461 3.014 20 0 GGADHM Cn1cc(Br)c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)n1 ZINC000494128168 650801911 /nfs/dbraw/zinc/80/19/11/650801911.db2.gz SRSPOMQVRDPBBB-PLNGDYQASA-N -1 3 380.227 3.050 20 0 GGADHM CC(C)(C)CCNC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000053039439 1406270545 /nfs/dbraw/zinc/27/05/45/1406270545.db2.gz CGKVGWVGLXRVPV-UHFFFAOYSA-N -1 3 395.931 3.249 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CSCc3ccco3)nc(=O)c2c1C ZINC000053037783 1406270584 /nfs/dbraw/zinc/27/05/84/1406270584.db2.gz WXGOEGZXJIRLGE-UHFFFAOYSA-N -1 3 394.474 3.123 20 0 GGADHM CC(C)CN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CC1 ZINC000053210695 1406326450 /nfs/dbraw/zinc/32/64/50/1406326450.db2.gz YIRXKICMRYWXCT-UHFFFAOYSA-N -1 3 397.504 3.260 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3ncccn3)n2)n1CCc1ccccc1 ZINC000053507271 1406418888 /nfs/dbraw/zinc/41/88/88/1406418888.db2.gz XUVZTELVPZSDGP-UHFFFAOYSA-N -1 3 396.501 3.020 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2ccc(Br)cc2[nH]1 ZINC000053526507 1406426623 /nfs/dbraw/zinc/42/66/23/1406426623.db2.gz HRNZQEHVIWFNOT-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM CC(C)c1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)no1 ZINC000053610416 1406460142 /nfs/dbraw/zinc/46/01/42/1406460142.db2.gz ITKVDNAJBXYFCX-UHFFFAOYSA-N -1 3 378.860 3.403 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000053610406 1406460207 /nfs/dbraw/zinc/46/02/07/1406460207.db2.gz FGXJOJOWETUSQQ-UHFFFAOYSA-N -1 3 376.844 3.157 20 0 GGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000053617464 1406460868 /nfs/dbraw/zinc/46/08/68/1406460868.db2.gz BBCHGIVLUCKSDW-UHFFFAOYSA-N -1 3 390.443 3.129 20 0 GGADHM O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000053721422 1406489413 /nfs/dbraw/zinc/48/94/13/1406489413.db2.gz MCUXXQMPHUCPMF-HNNXBMFYSA-N -1 3 375.428 3.019 20 0 GGADHM O=C(CCCSc1ccc(Cl)cc1)NCCNC(=O)c1ccc([O-])cc1 ZINC000053741467 1406498528 /nfs/dbraw/zinc/49/85/28/1406498528.db2.gz GNZADNILMVMNPM-UHFFFAOYSA-N -1 3 392.908 3.464 20 0 GGADHM O=C(COc1ccc(Cl)c2ccccc12)NCCNC(=O)c1ccc([O-])cc1 ZINC000053741853 1406498584 /nfs/dbraw/zinc/49/85/84/1406498584.db2.gz RFBQNVIZLAMPIV-UHFFFAOYSA-N -1 3 398.846 3.124 20 0 GGADHM Cn1ccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)cc1=O ZINC000053743456 1406499588 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395.440 3.295 20 0 GGADHM CCCc1ccc(C(=O)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000053845505 1406532496 /nfs/dbraw/zinc/53/24/96/1406532496.db2.gz LJZXSENEDVFMHU-UHFFFAOYSA-N -1 3 384.457 3.458 20 0 GGADHM O=C(OC/C=C/Cl)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000054134901 1406627749 /nfs/dbraw/zinc/62/77/49/1406627749.db2.gz YCOPFIKGZYSLBN-DAFODLJHSA-N -1 3 384.668 3.343 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(-c2ccccc2)no1 ZINC000054136372 1406627846 /nfs/dbraw/zinc/62/78/46/1406627846.db2.gz KTKBOICACQXPEK-UHFFFAOYSA-N -1 3 377.400 3.194 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000054314775 1406688723 /nfs/dbraw/zinc/68/87/23/1406688723.db2.gz LFMVAPGMHSRKQD-GFCCVEGCSA-N -1 3 382.489 3.239 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000054361805 1406701216 /nfs/dbraw/zinc/70/12/16/1406701216.db2.gz HXIUADNVZMCYIU-LBPRGKRZSA-N -1 3 382.851 3.214 20 0 GGADHM CC(=O)Nc1cccc2c1CCN(Cc1cc(=O)oc3c(C)c([O-])ccc13)C2 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GGADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccn3)s2)nnn1-c1cccc(Cl)c1 ZINC000055446894 1406964991 /nfs/dbraw/zinc/96/49/91/1406964991.db2.gz HYYKPQAHJKBSCH-UHFFFAOYSA-N -1 3 397.851 3.395 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)COC(=O)c3ccc([O-])cc3)ccc2c1 ZINC000007099282 1398597577 /nfs/dbraw/zinc/59/75/77/1398597577.db2.gz JQFAEIWIERWARR-UHFFFAOYSA-N -1 3 379.412 3.369 20 0 GGADHM O=C(COC(=O)CCc1ccc(-c2ccccc2)o1)[N-]C(=O)c1cccs1 ZINC000007219439 1398631400 /nfs/dbraw/zinc/63/14/00/1398631400.db2.gz GFPCCPPGJXWHHQ-UHFFFAOYSA-N -1 3 383.425 3.441 20 0 GGADHM Cc1cc(C)cc(-n2ccnc2SCC(=O)N[N-]C(=O)c2ccccc2F)c1 ZINC000007283764 1398645891 /nfs/dbraw/zinc/64/58/91/1398645891.db2.gz ADAXQOLIGXBXFI-UHFFFAOYSA-N -1 3 398.463 3.182 20 0 GGADHM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000007405135 1398668712 /nfs/dbraw/zinc/66/87/12/1398668712.db2.gz NDKBNLMQCALNIK-UHFFFAOYSA-N -1 3 394.321 3.058 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000007428525 1398673677 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/nfs/dbraw/zinc/94/57/42/1398945742.db2.gz FWVYPYBIVBDGOY-UHFFFAOYSA-N -1 3 393.234 3.498 20 0 GGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000011809555 1399013301 /nfs/dbraw/zinc/01/33/01/1399013301.db2.gz ZLKCNTIKLSNEGU-MRVPVSSYSA-N -1 3 385.203 3.277 20 0 GGADHM CCOC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810795 1399013316 /nfs/dbraw/zinc/01/33/16/1399013316.db2.gz UIKXSFDKAOAQCO-UHFFFAOYSA-N -1 3 391.232 3.355 20 0 GGADHM COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011809385 1399013330 /nfs/dbraw/zinc/01/33/30/1399013330.db2.gz NJOWVBYRYBBLKH-UHFFFAOYSA-N -1 3 385.203 3.212 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000012970357 1399070434 /nfs/dbraw/zinc/07/04/34/1399070434.db2.gz LUEUVVVTWYXWBT-UHFFFAOYSA-N -1 3 380.853 3.276 20 0 GGADHM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(Cl)cc(Cl)c2)C1=O ZINC000013100187 1399073548 /nfs/dbraw/zinc/07/35/48/1399073548.db2.gz XMSVZDQFLFEJGX-KRWDZBQOSA-N -1 3 378.215 3.105 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(-n4cccn4)nc3)nc(=O)c2c1C ZINC000055558974 1407001173 /nfs/dbraw/zinc/00/11/73/1407001173.db2.gz GLVKNRKYSYGJHX-NSHDSACASA-N -1 3 395.444 3.100 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(-n4cccn4)nc3)nc(=O)c2c1C ZINC000055558972 1407001535 /nfs/dbraw/zinc/00/15/35/1407001535.db2.gz GLVKNRKYSYGJHX-LLVKDONJSA-N -1 3 395.444 3.100 20 0 GGADHM CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000014564954 1399110926 /nfs/dbraw/zinc/11/09/26/1399110926.db2.gz ULBAGLNLDOPLQI-JTQLQIEISA-N -1 3 397.501 3.383 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(NC(N)=O)c3)nc(=O)c2c1C ZINC000014600219 1399112261 /nfs/dbraw/zinc/11/22/61/1399112261.db2.gz LWLBGHNLSRXWRZ-VIFPVBQESA-N -1 3 386.433 3.010 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c(C)c1 ZINC000055579345 1407009924 /nfs/dbraw/zinc/00/99/24/1407009924.db2.gz LCTBEYWTDSJSDF-UHFFFAOYSA-N -1 3 390.490 3.084 20 0 GGADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000055567531 1407005739 /nfs/dbraw/zinc/00/57/39/1407005739.db2.gz YRPRALGUQBQNCS-UHFFFAOYSA-N -1 3 376.478 3.286 20 0 GGADHM CCOc1ccc(O[C@H](C)C(=O)N[N-]C(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000015758421 1399190794 /nfs/dbraw/zinc/19/07/94/1399190794.db2.gz DYHKIDNSLYPPPF-SNVBAGLBSA-N -1 3 398.246 3.016 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=S)Nc2ccc(C)cc2)c1 ZINC000015847635 1399197835 /nfs/dbraw/zinc/19/78/35/1399197835.db2.gz FTWHOWYNJLVICO-UHFFFAOYSA-N -1 3 394.294 3.398 20 0 GGADHM O=C(CSc1nc2ccccc2s1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000015891673 1399199596 /nfs/dbraw/zinc/19/95/96/1399199596.db2.gz KAKMSDPBRAZHNQ-UHFFFAOYSA-N -1 3 394.481 3.398 20 0 GGADHM CCOCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000015898090 1399199694 /nfs/dbraw/zinc/19/96/94/1399199694.db2.gz VAQLAECJDBPCAC-UHFFFAOYSA-N -1 3 398.868 3.124 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1 ZINC000055580538 1407010995 /nfs/dbraw/zinc/01/09/95/1407010995.db2.gz IIQHBARTPXNGEO-UHFFFAOYSA-N -1 3 377.466 3.403 20 0 GGADHM CNc1ccc([N+](=O)[O-])cc1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000016224293 1399222648 /nfs/dbraw/zinc/22/26/48/1399222648.db2.gz WFASHOGVARGSKO-UHFFFAOYSA-N -1 3 383.191 3.018 20 0 GGADHM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000055584717 1407013046 /nfs/dbraw/zinc/01/30/46/1407013046.db2.gz IWRBIMIESMXRHD-UHFFFAOYSA-N -1 3 376.478 3.251 20 0 GGADHM CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000016639861 1399254171 /nfs/dbraw/zinc/25/41/71/1399254171.db2.gz QOOJDHDTWXBKJR-UHFFFAOYSA-N -1 3 376.478 3.334 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2cccc(I)c2)c2ccccc21 ZINC000016719446 1399257631 /nfs/dbraw/zinc/25/76/31/1399257631.db2.gz DXOWXANXLYRIRK-NTEUORMPSA-N -1 3 390.180 3.014 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2c(F)cc(F)cc2Br)c2ccccc21 ZINC000016720409 1399258356 /nfs/dbraw/zinc/25/83/56/1399258356.db2.gz IYRYVGRLPKEZII-YRNVUSSQSA-N -1 3 379.160 3.450 20 0 GGADHM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C)C(C)=O ZINC000055587834 1407014465 /nfs/dbraw/zinc/01/44/65/1407014465.db2.gz FKJFCBROEYRNKO-UHFFFAOYSA-N -1 3 376.478 3.173 20 0 GGADHM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C)C(C)=O ZINC000055587833 1407014663 /nfs/dbraw/zinc/01/46/63/1407014663.db2.gz RPJDUZDMCIKUSH-UHFFFAOYSA-N -1 3 390.505 3.481 20 0 GGADHM COc1cc(OC)cc(C(=O)N[N-]C(=O)c2cc(Cl)sc2Cl)c1 ZINC000017059759 1399271131 /nfs/dbraw/zinc/27/11/31/1399271131.db2.gz YMPSLNVIJLVPLP-UHFFFAOYSA-N -1 3 375.233 3.147 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1F ZINC000017522121 1399285036 /nfs/dbraw/zinc/28/50/36/1399285036.db2.gz RAVZXFSXMXUEAK-MRXNPFEDSA-N -1 3 399.369 3.044 20 0 GGADHM O=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1[O-] ZINC000017574116 1399285716 /nfs/dbraw/zinc/28/57/16/1399285716.db2.gz CICXHIGEBGCJEF-UHFFFAOYSA-N -1 3 384.395 3.077 20 0 GGADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccncc2)c1[O-] ZINC000017584370 1399286347 /nfs/dbraw/zinc/28/63/47/1399286347.db2.gz DYEZFNIGXINJPT-UHFFFAOYSA-N -1 3 387.395 3.144 20 0 GGADHM C[C@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cc(Cl)sc1Cl ZINC000018054791 1399298043 /nfs/dbraw/zinc/29/80/43/1399298043.db2.gz IGGDORFKCMVALT-ZETCQYMHSA-N -1 3 377.224 3.423 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c(C)c1C ZINC000055594444 1407018167 /nfs/dbraw/zinc/01/81/67/1407018167.db2.gz ZMGROCIAYJTYFN-UHFFFAOYSA-N -1 3 390.505 3.284 20 0 GGADHM NC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000055594263 1407018194 /nfs/dbraw/zinc/01/81/94/1407018194.db2.gz ULCHKKYCGJMWKQ-UHFFFAOYSA-N -1 3 396.468 3.409 20 0 GGADHM COc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c([O-])c1 ZINC000018215706 1399307602 /nfs/dbraw/zinc/30/76/02/1399307602.db2.gz AHMWAYJXKDTKRN-UHFFFAOYSA-N -1 3 389.761 3.310 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000055593866 1407018423 /nfs/dbraw/zinc/01/84/23/1407018423.db2.gz XXWBFFIMXVXSCT-UHFFFAOYSA-N -1 3 379.434 3.020 20 0 GGADHM C[C@H](Sc1nnnn1C1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018386208 1399313815 /nfs/dbraw/zinc/31/38/15/1399313815.db2.gz USLWGOKEOWOPPJ-QMMMGPOBSA-N -1 3 386.462 3.419 20 0 GGADHM CCN(Cc1cccc(F)c1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000019541118 1399332202 /nfs/dbraw/zinc/33/22/02/1399332202.db2.gz DYDNENICAIHMLQ-UHFFFAOYSA-N -1 3 389.452 3.241 20 0 GGADHM C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020497973 1399347749 /nfs/dbraw/zinc/34/77/49/1399347749.db2.gz YNSIRLJWTSXKSX-SNVBAGLBSA-N -1 3 377.326 3.292 20 0 GGADHM C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020497973 1399347751 /nfs/dbraw/zinc/34/77/51/1399347751.db2.gz YNSIRLJWTSXKSX-SNVBAGLBSA-N -1 3 377.326 3.292 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1 ZINC000021087129 1399364370 /nfs/dbraw/zinc/36/43/70/1399364370.db2.gz XPYMOVLLHFUYOV-UHFFFAOYSA-N -1 3 380.429 3.206 20 0 GGADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1 ZINC000055616601 1407025272 /nfs/dbraw/zinc/02/52/72/1407025272.db2.gz HYNJABNZNLGKGE-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)c(C)c1 ZINC000055616038 1407025521 /nfs/dbraw/zinc/02/55/21/1407025521.db2.gz KRVPVJVKGLJLNA-UHFFFAOYSA-N -1 3 378.450 3.080 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc([S@](C)=O)cc3)nc(=O)c2c1C ZINC000021646438 1399397139 /nfs/dbraw/zinc/39/71/39/1399397139.db2.gz JKNZNGPXBRBKLY-AFNXNYLOSA-N -1 3 390.486 3.257 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc([S@@](C)=O)cc3)nc(=O)c2c1C ZINC000021646428 1399397222 /nfs/dbraw/zinc/39/72/22/1399397222.db2.gz JKNZNGPXBRBKLY-SKVICXGVSA-N -1 3 390.486 3.257 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc([S@@](C)=O)cc3)nc(=O)c2c1C ZINC000021646433 1399397342 /nfs/dbraw/zinc/39/73/42/1399397342.db2.gz JKNZNGPXBRBKLY-ZHZWEUQESA-N -1 3 390.486 3.257 20 0 GGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000021730895 1399404181 /nfs/dbraw/zinc/40/41/81/1399404181.db2.gz HDQFAERFZCGXIE-LBPRGKRZSA-N -1 3 396.274 3.216 20 0 GGADHM Cn1ccnc1[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000022244630 1399447431 /nfs/dbraw/zinc/44/74/31/1399447431.db2.gz KQNSMSGPCPTVPA-WQJNHMDYSA-N -1 3 392.846 3.064 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncccc3O)ccc2C)cc1 ZINC000022264541 1399449046 /nfs/dbraw/zinc/44/90/46/1399449046.db2.gz NGKMVEDDBWENQG-UHFFFAOYSA-N -1 3 397.456 3.457 20 0 GGADHM CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000022263680 1399449088 /nfs/dbraw/zinc/44/90/88/1399449088.db2.gz IOUMEWUULKNLPF-UHFFFAOYSA-N -1 3 397.456 3.255 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000055631648 1407030421 /nfs/dbraw/zinc/03/04/21/1407030421.db2.gz JEOCVDJVRFDAJT-GOSISDBHSA-N -1 3 390.461 3.004 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC)c2)cc1 ZINC000055632591 1407031912 /nfs/dbraw/zinc/03/19/12/1407031912.db2.gz DJXLKEHRKGAMET-UHFFFAOYSA-N -1 3 379.478 3.439 20 0 GGADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000055633273 1407032211 /nfs/dbraw/zinc/03/22/11/1407032211.db2.gz QZRVIHIKAKDEMF-UHFFFAOYSA-N -1 3 379.478 3.439 20 0 GGADHM O=C([N-]NC(=O)c1cncn1-c1ccccc1)c1cccc(Cl)c1Cl ZINC000022663069 1399488359 /nfs/dbraw/zinc/48/83/59/1399488359.db2.gz HALPMULDYNCJNK-UHFFFAOYSA-N -1 3 375.215 3.254 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000055639037 1407036382 /nfs/dbraw/zinc/03/63/82/1407036382.db2.gz PEBOPNRSQNUJIE-UHFFFAOYSA-N -1 3 398.506 3.038 20 0 GGADHM COc1ccc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(F)c1 ZINC000022906214 1399516189 /nfs/dbraw/zinc/51/61/89/1399516189.db2.gz CKEORVRDKCUSPN-ZDUSSCGKSA-N -1 3 382.391 3.216 20 0 GGADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000055638660 1407035323 /nfs/dbraw/zinc/03/53/23/1407035323.db2.gz BQHQUJPNNKYEJB-UHFFFAOYSA-N -1 3 392.477 3.251 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn(-c4ccccc4)n3)nc(=O)c2c1C ZINC000023076308 1399530656 /nfs/dbraw/zinc/53/06/56/1399530656.db2.gz TULCJEKNCGXPHO-LLVKDONJSA-N -1 3 395.444 3.100 20 0 GGADHM O=C(NC1CCCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023132802 1399534465 /nfs/dbraw/zinc/53/44/65/1399534465.db2.gz RAWFATDSMVFQBP-UHFFFAOYSA-N -1 3 391.320 3.497 20 0 GGADHM CC1CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000023145398 1399535067 /nfs/dbraw/zinc/53/50/67/1399535067.db2.gz KHLJMFFPYWGUHI-UHFFFAOYSA-N -1 3 391.320 3.306 20 0 GGADHM CCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000023154062 1399535615 /nfs/dbraw/zinc/53/56/15/1399535615.db2.gz IHALMVLCBSCBJD-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cc3ccsc3[n-]2)c(C)c1 ZINC000023346453 1399551452 /nfs/dbraw/zinc/55/14/52/1399551452.db2.gz UMQHDJBVCUIJFC-UHFFFAOYSA-N -1 3 399.472 3.066 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(C)c1 ZINC000055643320 1407038474 /nfs/dbraw/zinc/03/84/74/1407038474.db2.gz AHHXOSNTSDNYDX-UHFFFAOYSA-N -1 3 379.478 3.446 20 0 GGADHM Cc1nnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000023626346 1399575758 /nfs/dbraw/zinc/57/57/58/1399575758.db2.gz FDGSBRQTWRXSPL-UHFFFAOYSA-N -1 3 392.437 3.039 20 0 GGADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2F)n1 ZINC000055649461 1407041530 /nfs/dbraw/zinc/04/15/30/1407041530.db2.gz OFRMUUWRMMPOJQ-UHFFFAOYSA-N -1 3 387.436 3.364 20 0 GGADHM Cc1nn(C)c2ncc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc12 ZINC000024197531 1399609672 /nfs/dbraw/zinc/60/96/72/1399609672.db2.gz SKCFTFCYWKFBKU-SNVBAGLBSA-N -1 3 397.460 3.110 20 0 GGADHM CNc1ccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000024459050 1399632209 /nfs/dbraw/zinc/63/22/09/1399632209.db2.gz GGGGZMGEFAHNRW-UHFFFAOYSA-N -1 3 383.191 3.018 20 0 GGADHM CCc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024485896 1399635712 /nfs/dbraw/zinc/63/57/12/1399635712.db2.gz YIVHHOUTKUNTDP-UHFFFAOYSA-N -1 3 376.453 3.390 20 0 GGADHM O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024547741 1399641111 /nfs/dbraw/zinc/64/11/11/1399641111.db2.gz WZQXQRVKHLBYOJ-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000024552457 1399641570 /nfs/dbraw/zinc/64/15/70/1399641570.db2.gz AOHDUBQHIJXEBM-INIZCTEOSA-N -1 3 383.839 3.204 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000024552457 1399641577 /nfs/dbraw/zinc/64/15/77/1399641577.db2.gz AOHDUBQHIJXEBM-INIZCTEOSA-N -1 3 383.839 3.204 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)cc1 ZINC000024685465 1399656546 /nfs/dbraw/zinc/65/65/46/1399656546.db2.gz IQAMEFVXUTUWOL-LLVKDONJSA-N -1 3 396.871 3.411 20 0 GGADHM CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000024805080 1399673903 /nfs/dbraw/zinc/67/39/03/1399673903.db2.gz ZYRAVGVCISWMOI-IBGZPJMESA-N -1 3 390.480 3.394 20 0 GGADHM CC(C)NC(=S)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000024825124 1399677164 /nfs/dbraw/zinc/67/71/64/1399677164.db2.gz JRVRSCLSVNIJBB-UHFFFAOYSA-N -1 3 390.490 3.263 20 0 GGADHM Cc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cnn1-c1cccc(C)c1 ZINC000024895869 1399687272 /nfs/dbraw/zinc/68/72/72/1399687272.db2.gz MEXRABADIHQLDF-UHFFFAOYSA-N -1 3 384.461 3.113 20 0 GGADHM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024893105 1399687363 /nfs/dbraw/zinc/68/73/63/1399687363.db2.gz HPBCHDKBVAJGKV-LJQANCHMSA-N -1 3 388.464 3.148 20 0 GGADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024891674 1399687409 /nfs/dbraw/zinc/68/74/09/1399687409.db2.gz FHCXGNWTNUDSIG-UHFFFAOYSA-N -1 3 376.478 3.373 20 0 GGADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000055665520 1407047998 /nfs/dbraw/zinc/04/79/98/1407047998.db2.gz KYLSNRXDYKTRRI-UHFFFAOYSA-N -1 3 376.478 3.253 20 0 GGADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1C ZINC000055674210 1407051248 /nfs/dbraw/zinc/05/12/48/1407051248.db2.gz ANWUGJHUHNEFND-UHFFFAOYSA-N -1 3 386.429 3.169 20 0 GGADHM Cn1c2ccccc2c2cc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)sc21 ZINC000025989465 1399851878 /nfs/dbraw/zinc/85/18/78/1399851878.db2.gz KMJDAAKGDJOOFD-UHFFFAOYSA-N -1 3 396.472 3.293 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nc4ccsc4c(=O)n3C)cc(=O)oc12 ZINC000026107384 1399860230 /nfs/dbraw/zinc/86/02/30/1399860230.db2.gz PCFJKAZBRQYRFU-UHFFFAOYSA-N -1 3 386.454 3.408 20 0 GGADHM Cc1nc(COc2cccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2)cs1 ZINC000026253404 1399873656 /nfs/dbraw/zinc/87/36/56/1399873656.db2.gz MVMYOSPIBHYYIP-UHFFFAOYSA-N -1 3 383.355 3.420 20 0 GGADHM Cc1nc(COc2cccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2)cs1 ZINC000026253404 1399873660 /nfs/dbraw/zinc/87/36/60/1399873660.db2.gz MVMYOSPIBHYYIP-UHFFFAOYSA-N -1 3 383.355 3.420 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000026528301 1399897098 /nfs/dbraw/zinc/89/70/98/1399897098.db2.gz MTMZALJRBSHBDT-UHFFFAOYSA-N -1 3 391.367 3.411 20 0 GGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000026548981 1399898858 /nfs/dbraw/zinc/89/88/58/1399898858.db2.gz GCSYVMFQOXPUTL-UHFFFAOYSA-N -1 3 376.478 3.078 20 0 GGADHM O=C(NCC1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000027462026 1400044268 /nfs/dbraw/zinc/04/42/68/1400044268.db2.gz CZDUBLOYFWFMNJ-UHFFFAOYSA-N -1 3 382.844 3.420 20 0 GGADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027682530 1400075664 /nfs/dbraw/zinc/07/56/64/1400075664.db2.gz YORXICAWJDIRIR-ZDUSSCGKSA-N -1 3 383.835 3.425 20 0 GGADHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027683742 1400076878 /nfs/dbraw/zinc/07/68/78/1400076878.db2.gz HXGSOGDYIHBCGB-LBPRGKRZSA-N -1 3 396.428 3.085 20 0 GGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000028130282 1400131302 /nfs/dbraw/zinc/13/13/02/1400131302.db2.gz YCOIMAZGECQHKF-LURJTMIESA-N -1 3 375.249 3.272 20 0 GGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000028130476 1400131398 /nfs/dbraw/zinc/13/13/98/1400131398.db2.gz ASBQPJDDYKTHHQ-CYBMUJFWSA-N -1 3 377.824 3.128 20 0 GGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000028130279 1400131551 /nfs/dbraw/zinc/13/15/51/1400131551.db2.gz YCOIMAZGECQHKF-ZCFIWIBFSA-N -1 3 375.249 3.272 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000028246930 1400143476 /nfs/dbraw/zinc/14/34/76/1400143476.db2.gz IKPGELYKLKQOCS-UHFFFAOYSA-N -1 3 388.489 3.491 20 0 GGADHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)c1 ZINC000055806176 1407086333 /nfs/dbraw/zinc/08/63/33/1407086333.db2.gz PKCHJDUXFDTGGO-UHFFFAOYSA-N -1 3 394.468 3.472 20 0 GGADHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)c1 ZINC000055805949 1407086454 /nfs/dbraw/zinc/08/64/54/1407086454.db2.gz JRRDAFMQGUUSMR-UHFFFAOYSA-N -1 3 392.452 3.226 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2nc(-c3ccc4c(c3)CCO4)cs2)c2ccccc21 ZINC000028680368 1400183960 /nfs/dbraw/zinc/18/39/60/1400183960.db2.gz MKHIYUCFISZHRY-MHWRWJLKSA-N -1 3 389.436 3.468 20 0 GGADHM Cc1cccc(OCCNC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752663 1400192392 /nfs/dbraw/zinc/19/23/92/1400192392.db2.gz UMJDKXJFNOWGNK-LLVKDONJSA-N -1 3 385.247 3.370 20 0 GGADHM COc1ccc(NC(=O)[C@@H](C)OC)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000055807836 1407087630 /nfs/dbraw/zinc/08/76/30/1407087630.db2.gz KVGDWFJADVUSKE-LLVKDONJSA-N -1 3 398.868 3.123 20 0 GGADHM Cc1c2ccccc2oc1C(=O)NNC(=O)c1cc(Br)ccc1[O-] ZINC000028814087 1400199494 /nfs/dbraw/zinc/19/94/94/1400199494.db2.gz BKWCBWNSFDFYSH-UHFFFAOYSA-N -1 3 389.205 3.284 20 0 GGADHM Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccccc3[O-])c2C(C)C)cc1 ZINC000028883305 1400207618 /nfs/dbraw/zinc/20/76/18/1400207618.db2.gz ULACHJSJOASNEC-UHFFFAOYSA-N -1 3 378.432 3.085 20 0 GGADHM Cc1ccc(-c2nc([N-]C(=O)c3cn(-c4ccc(Cl)cc4)nn3)n[nH]2)cc1 ZINC000028967272 1400217593 /nfs/dbraw/zinc/21/75/93/1400217593.db2.gz YNEKZERARFDTQO-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000029047601 1400229635 /nfs/dbraw/zinc/22/96/35/1400229635.db2.gz IYJOUDVJMJFQKI-ZDUSSCGKSA-N -1 3 390.461 3.242 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1F ZINC000029052025 1400230808 /nfs/dbraw/zinc/23/08/08/1400230808.db2.gz RKMLLQMOWDPFQG-UHFFFAOYSA-N -1 3 398.843 3.204 20 0 GGADHM CSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000029060451 1400231591 /nfs/dbraw/zinc/23/15/91/1400231591.db2.gz JJTQEGQBLGXMNV-UHFFFAOYSA-N -1 3 380.466 3.241 20 0 GGADHM COc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000055819356 1407091986 /nfs/dbraw/zinc/09/19/86/1407091986.db2.gz HNFIDQRINXNGFE-UHFFFAOYSA-N -1 3 394.468 3.472 20 0 GGADHM COc1ccc(-c2nc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cs2)cc1OC ZINC000029389421 1400291844 /nfs/dbraw/zinc/29/18/44/1400291844.db2.gz YLDZMEXJISAAIU-UHFFFAOYSA-N -1 3 399.354 3.217 20 0 GGADHM COc1ccc(-c2nc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cs2)cc1OC ZINC000029389421 1400291850 /nfs/dbraw/zinc/29/18/50/1400291850.db2.gz YLDZMEXJISAAIU-UHFFFAOYSA-N -1 3 399.354 3.217 20 0 GGADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389320 1400291882 /nfs/dbraw/zinc/29/18/82/1400291882.db2.gz RBLIEHKAIXPAKM-UHFFFAOYSA-N -1 3 386.721 3.098 20 0 GGADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389320 1400291888 /nfs/dbraw/zinc/29/18/88/1400291888.db2.gz RBLIEHKAIXPAKM-UHFFFAOYSA-N -1 3 386.721 3.098 20 0 GGADHM COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000029407751 1400293682 /nfs/dbraw/zinc/29/36/82/1400293682.db2.gz QEUZYMNGDBPAEJ-UHFFFAOYSA-N -1 3 398.198 3.281 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@H]3CCc4ccccc43)nc(=O)c2c1C ZINC000029484554 1400304866 /nfs/dbraw/zinc/30/48/66/1400304866.db2.gz KPFNAROZRHEMHQ-AWEZNQCLSA-N -1 3 383.473 3.199 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H]3CCc4ccccc43)nc(=O)c2c1C ZINC000029484551 1400305403 /nfs/dbraw/zinc/30/54/03/1400305403.db2.gz KPFNAROZRHEMHQ-CQSZACIVSA-N -1 3 383.473 3.199 20 0 GGADHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc3ccccc23)C1=O ZINC000029579938 1400318526 /nfs/dbraw/zinc/31/85/26/1400318526.db2.gz UHLYXJWGCRGXLQ-HXUWFJFHSA-N -1 3 379.441 3.403 20 0 GGADHM Cc1c(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cnn1-c1ccc(C)cc1 ZINC000029651767 1400329671 /nfs/dbraw/zinc/32/96/71/1400329671.db2.gz CKUWZJGZIYMILB-UHFFFAOYSA-N -1 3 385.427 3.112 20 0 GGADHM C[C@H]1CCc2sc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2C1 ZINC000029687579 1400337009 /nfs/dbraw/zinc/33/70/09/1400337009.db2.gz HCDVKMWLCKILEB-AWEZNQCLSA-N -1 3 384.501 3.177 20 0 GGADHM C[C@H]1CCc2c(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)csc2C1 ZINC000029687920 1400337111 /nfs/dbraw/zinc/33/71/11/1400337111.db2.gz FOEMAPUFXKNZOC-AWEZNQCLSA-N -1 3 384.501 3.177 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000029760106 1400348834 /nfs/dbraw/zinc/34/88/34/1400348834.db2.gz PJPVPELIOYRKIH-UHFFFAOYSA-N -1 3 390.226 3.382 20 0 GGADHM Cc1nc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)sc1C ZINC000029780040 1400351620 /nfs/dbraw/zinc/35/16/20/1400351620.db2.gz FECKEIXEJDSPAP-UHFFFAOYSA-N -1 3 385.486 3.228 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c[nH]nc32)ccc1F ZINC000029785118 1400352074 /nfs/dbraw/zinc/35/20/74/1400352074.db2.gz FNSVKPKLUGGQDB-UHFFFAOYSA-N -1 3 390.440 3.031 20 0 GGADHM CN1CCN(CCCNC(=O)c2ccc([O-])c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000029999754 1400395608 /nfs/dbraw/zinc/39/56/08/1400395608.db2.gz OUYVAOPYGVHLQY-LJQANCHMSA-N -1 3 387.911 3.154 20 0 GGADHM CCCCCc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000030020367 1400400051 /nfs/dbraw/zinc/40/00/51/1400400051.db2.gz GVSQFLPYYKDZJK-AWEZNQCLSA-N -1 3 393.509 3.330 20 0 GGADHM CC(C)c1noc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000042743254 1400406778 /nfs/dbraw/zinc/40/67/78/1400406778.db2.gz HMXMAFCWYROIMR-UHFFFAOYSA-N -1 3 378.860 3.403 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCc2ccncc2)CC1 ZINC000042888734 1400428083 /nfs/dbraw/zinc/42/80/83/1400428083.db2.gz SPTBERGZSRMCMN-UHFFFAOYSA-N -1 3 388.855 3.001 20 0 GGADHM Cc1ccc(C)c(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000055895888 1407122667 /nfs/dbraw/zinc/12/26/67/1407122667.db2.gz CSTQCELSTHHXKO-UHFFFAOYSA-N -1 3 378.469 3.406 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(C)c3ccc(Cl)cn3)c2)n1 ZINC000056013736 1407172178 /nfs/dbraw/zinc/17/21/78/1407172178.db2.gz UIIDPHYWRBUVKT-UHFFFAOYSA-N -1 3 397.866 3.123 20 0 GGADHM COCCOc1ccc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000056013291 1407172377 /nfs/dbraw/zinc/17/23/77/1407172377.db2.gz SMRNYEZMVBCAAZ-AWEZNQCLSA-N -1 3 396.443 3.053 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCCC2)ccc1F ZINC000056034898 1407177471 /nfs/dbraw/zinc/17/74/71/1407177471.db2.gz QFYWMGKKZMCVMT-QGZVFWFLSA-N -1 3 382.501 3.307 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1 ZINC000056056484 1407184243 /nfs/dbraw/zinc/18/42/43/1407184243.db2.gz VCEWRNSXPAJPMG-UHFFFAOYSA-N -1 3 391.427 3.058 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)CCCC2)no1 ZINC000056054913 1407183134 /nfs/dbraw/zinc/18/31/34/1407183134.db2.gz NTMMGNGLCYRQCV-UHFFFAOYSA-N -1 3 379.482 3.161 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCCC2)nc1)c1ccc(F)cc1F ZINC000056075472 1407193032 /nfs/dbraw/zinc/19/30/32/1407193032.db2.gz AZTJZZLEJQLRHS-UHFFFAOYSA-N -1 3 381.448 3.219 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056069896 1407189420 /nfs/dbraw/zinc/18/94/20/1407189420.db2.gz BGAQMCWECGGCCT-LLVKDONJSA-N -1 3 395.431 3.288 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000056154568 1407231524 /nfs/dbraw/zinc/23/15/24/1407231524.db2.gz UFNABUQWNDGQDT-UHFFFAOYSA-N -1 3 388.880 3.056 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)s2)ccc1F ZINC000056176842 1407241710 /nfs/dbraw/zinc/24/17/10/1407241710.db2.gz KZIRBRCAIZJKPU-LBPRGKRZSA-N -1 3 382.482 3.151 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000056337206 1407302812 /nfs/dbraw/zinc/30/28/12/1407302812.db2.gz CNZPZMQZDKIHRV-OAHLLOKOSA-N -1 3 382.851 3.210 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000056337223 1407303023 /nfs/dbraw/zinc/30/30/23/1407303023.db2.gz ZBSPPKDOQBISEK-SFHVURJKSA-N -1 3 394.862 3.140 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000056337226 1407303128 /nfs/dbraw/zinc/30/31/28/1407303128.db2.gz YBDJEROLOGPUJN-GOSISDBHSA-N -1 3 394.862 3.140 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000056409831 1407323652 /nfs/dbraw/zinc/32/36/52/1407323652.db2.gz NZWBDEBNCFMTLB-UHFFFAOYSA-N -1 3 390.461 3.058 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000043182118 1403726232 /nfs/dbraw/zinc/72/62/32/1403726232.db2.gz DCZFZACICRPJKQ-CQSZACIVSA-N -1 3 387.867 3.274 20 0 GGADHM O=C([O-])CN1CCN([C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000043177747 1403726717 /nfs/dbraw/zinc/72/67/17/1403726717.db2.gz MDLQJNCGZVDZFV-LJQANCHMSA-N -1 3 378.394 3.497 20 0 in-man GGADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000043187503 1403728164 /nfs/dbraw/zinc/72/81/64/1403728164.db2.gz DQPNFCFTEWZHRO-SNVBAGLBSA-N -1 3 380.217 3.293 20 0 GGADHM Cc1nc2ccccc2n1CCCNC(=O)N[N-]C(=O)c1ccccc1Cl ZINC000043472322 1403767106 /nfs/dbraw/zinc/76/71/06/1403767106.db2.gz QPMBQQRRHUCCOK-UHFFFAOYSA-N -1 3 385.855 3.032 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2ccccc2C(F)(F)F)cc1 ZINC000043643847 1403795559 /nfs/dbraw/zinc/79/55/59/1403795559.db2.gz YSPTVWVOUKAOTD-UHFFFAOYSA-N -1 3 380.366 3.102 20 0 GGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000043711737 1403805670 /nfs/dbraw/zinc/80/56/70/1403805670.db2.gz RLUBUBAJARITJF-FQEVSTJZSA-N -1 3 381.476 3.401 20 0 GGADHM O=C(NCCSCc1ccccc1F)N[N-]C(=O)c1ccccc1Cl ZINC000043827880 1403823708 /nfs/dbraw/zinc/82/37/08/1403823708.db2.gz CICJSIKRAGXQDS-UHFFFAOYSA-N -1 3 381.860 3.357 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000043898413 1403842757 /nfs/dbraw/zinc/84/27/57/1403842757.db2.gz NRTIVSXXMNDYBA-CYBMUJFWSA-N -1 3 375.446 3.140 20 0 GGADHM CS(=O)(=O)Nc1ccccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000044009888 1403858754 /nfs/dbraw/zinc/85/87/54/1403858754.db2.gz GZIADGICQZNECK-LICLKQGHSA-N -1 3 383.267 3.145 20 0 GGADHM O=C([N-]NC(=O)c1cc2ccc(Br)cc2[nH]1)c1ccccc1F ZINC000044299808 1403914963 /nfs/dbraw/zinc/91/49/63/1403914963.db2.gz AGGZODBMDREKBV-UHFFFAOYSA-N -1 3 376.185 3.144 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1F ZINC000044324169 1403919698 /nfs/dbraw/zinc/91/96/98/1403919698.db2.gz AFTQPOMVXFXWRH-INIZCTEOSA-N -1 3 397.834 3.420 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2nc(N3CCCC3)ncc2Cl)c(F)cc1F ZINC000044466430 1403935685 /nfs/dbraw/zinc/93/56/85/1403935685.db2.gz UKCKDVDLCYMGSI-UHFFFAOYSA-N -1 3 396.781 3.047 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c(=O)[n-]1 ZINC000044568634 1403952358 /nfs/dbraw/zinc/95/23/58/1403952358.db2.gz HGQMYVNXKQFWIG-UHFFFAOYSA-N -1 3 391.475 3.158 20 0 GGADHM COC(=O)c1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000044938311 1404023172 /nfs/dbraw/zinc/02/31/72/1404023172.db2.gz MXLZQGZGQATXRI-QMMMGPOBSA-N -1 3 392.458 3.368 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000045151259 1404064441 /nfs/dbraw/zinc/06/44/41/1404064441.db2.gz CUGIHEUQXCQKSB-HXUWFJFHSA-N -1 3 399.466 3.396 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000045269946 1404089064 /nfs/dbraw/zinc/08/90/64/1404089064.db2.gz AGDJNZQYXHVOBK-CYBMUJFWSA-N -1 3 377.853 3.227 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1F ZINC000045269500 1404089158 /nfs/dbraw/zinc/08/91/58/1404089158.db2.gz ICJZBZCOGRABBG-HNNXBMFYSA-N -1 3 390.480 3.041 20 0 GGADHM O=C(COC(=O)CCSc1ccccc1Cl)[N-]C(=O)c1cccs1 ZINC000045335942 1404100600 /nfs/dbraw/zinc/10/06/00/1404100600.db2.gz OKQQTEUWNGFXQW-UHFFFAOYSA-N -1 3 383.878 3.384 20 0 GGADHM COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1OC(C)C ZINC000045341753 1404101640 /nfs/dbraw/zinc/10/16/40/1404101640.db2.gz YBEFHBUCTLLVHK-UHFFFAOYSA-N -1 3 378.450 3.106 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000045365584 1404107747 /nfs/dbraw/zinc/10/77/47/1404107747.db2.gz VPJWWVOAMITCFK-ZDUSSCGKSA-N -1 3 376.453 3.066 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)cc2)ccc1F ZINC000045365578 1404107971 /nfs/dbraw/zinc/10/79/71/1404107971.db2.gz NTDXGRLTNATJKD-AWEZNQCLSA-N -1 3 376.453 3.089 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CCCCC2)ccc1F ZINC000045491160 1404131731 /nfs/dbraw/zinc/13/17/31/1404131731.db2.gz XSHGTLMRQDGRGO-UHFFFAOYSA-N -1 3 380.485 3.227 20 0 GGADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000045700057 1404181370 /nfs/dbraw/zinc/18/13/70/1404181370.db2.gz OMMARWMDYJDCIQ-JTQLQIEISA-N -1 3 385.317 3.430 20 0 GGADHM O=C(Nc1ncccc1[O-])c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000045767046 1404198055 /nfs/dbraw/zinc/19/80/55/1404198055.db2.gz YXLUQJHCGQNRNB-UHFFFAOYSA-N -1 3 381.392 3.488 20 0 GGADHM O=C(NCc1cccc(OCc2ccccc2)c1)NNC(=O)c1ccccc1[O-] ZINC000045811120 1404211811 /nfs/dbraw/zinc/21/18/11/1404211811.db2.gz DFIKVSQFWWQARI-UHFFFAOYSA-N -1 3 391.427 3.115 20 0 GGADHM CN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045870070 1404229902 /nfs/dbraw/zinc/22/99/02/1404229902.db2.gz ALMBLZNDAUJEDX-UHFFFAOYSA-N -1 3 378.469 3.175 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCc2cccnc2)ccc1F ZINC000045882774 1404234084 /nfs/dbraw/zinc/23/40/84/1404234084.db2.gz FDOSXUHALHOMEI-UHFFFAOYSA-N -1 3 394.468 3.087 20 0 GGADHM Cc1ccccc1CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045883471 1404234607 /nfs/dbraw/zinc/23/46/07/1404234607.db2.gz XEPIHPBKGOFVSX-UHFFFAOYSA-N -1 3 392.496 3.483 20 0 GGADHM CCCCOc1ccc(CNC(=O)N[N-]C(=O)c2ccccc2F)cc1OC ZINC000045888974 1404235620 /nfs/dbraw/zinc/23/56/20/1404235620.db2.gz MIGWPTOLFVHIOO-UHFFFAOYSA-N -1 3 389.427 3.157 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ccccc32)ccc1F ZINC000045891016 1404236373 /nfs/dbraw/zinc/23/63/73/1404236373.db2.gz XHWLZXHSDMDGGP-QGZVFWFLSA-N -1 3 390.480 3.320 20 0 GGADHM CC(C)Oc1ccc(CCNC(=O)N[N-]C(=O)c2ccccc2Cl)cc1 ZINC000045895228 1404237245 /nfs/dbraw/zinc/23/72/45/1404237245.db2.gz SXBJVUHICKQYMF-UHFFFAOYSA-N -1 3 375.856 3.314 20 0 GGADHM COc1cc(F)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045926352 1404243480 /nfs/dbraw/zinc/24/34/80/1404243480.db2.gz ZLGYZDVKNPKTOA-UHFFFAOYSA-N -1 3 398.431 3.303 20 0 GGADHM O=C(NCc1ccc(OC2CCCC2)nc1)N[N-]C(=O)c1ccccc1Cl ZINC000045931533 1404245475 /nfs/dbraw/zinc/24/54/75/1404245475.db2.gz IBPWNCZARNRJRW-UHFFFAOYSA-N -1 3 388.855 3.201 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000045937576 1404247833 /nfs/dbraw/zinc/24/78/33/1404247833.db2.gz SZDMSHFTKFIKIW-UHFFFAOYSA-N -1 3 384.498 3.202 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)c2)n1 ZINC000046065177 1404286957 /nfs/dbraw/zinc/28/69/57/1404286957.db2.gz CJYTWMOVMLYGDC-MZBDJJRSSA-N -1 3 379.460 3.333 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Cn4ccnc4)c3)c2)n1 ZINC000046065157 1404287373 /nfs/dbraw/zinc/28/73/73/1404287373.db2.gz CJXHFGWKAQSAQC-UHFFFAOYSA-N -1 3 399.454 3.496 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3c(C)nc4ccccc43)c2)n1 ZINC000046067180 1404288179 /nfs/dbraw/zinc/28/81/79/1404288179.db2.gz IHNHJQMUMMQPPR-UHFFFAOYSA-N -1 3 387.443 3.296 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2)ccc1F ZINC000046120611 1404304511 /nfs/dbraw/zinc/30/45/11/1404304511.db2.gz LRTZQXXEXQQGFF-UHFFFAOYSA-N -1 3 384.860 3.096 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2Cl)ccc1F ZINC000046142786 1404310841 /nfs/dbraw/zinc/31/08/41/1404310841.db2.gz ICDKFHJFPODTMP-UHFFFAOYSA-N -1 3 398.887 3.438 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3cccnc32)ccc1F ZINC000046146962 1404311681 /nfs/dbraw/zinc/31/16/81/1404311681.db2.gz NXDKZSIKMLDPAR-UHFFFAOYSA-N -1 3 387.436 3.313 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)ccc1F ZINC000046161254 1404316493 /nfs/dbraw/zinc/31/64/93/1404316493.db2.gz IQMPKWBMLMZKPB-UHFFFAOYSA-N -1 3 398.887 3.138 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3n2)ccc1F ZINC000046162538 1404316539 /nfs/dbraw/zinc/31/65/39/1404316539.db2.gz FGSIASDNYUJOOI-UHFFFAOYSA-N -1 3 387.436 3.313 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)ccc1F ZINC000046182483 1404323577 /nfs/dbraw/zinc/32/35/77/1404323577.db2.gz CCISEGLQOIKPER-UHFFFAOYSA-N -1 3 395.843 3.290 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1F ZINC000046184553 1404324949 /nfs/dbraw/zinc/32/49/49/1404324949.db2.gz FYDCEULWXQHZLH-LBPRGKRZSA-N -1 3 396.509 3.333 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1F ZINC000046186670 1404325993 /nfs/dbraw/zinc/32/59/93/1404325993.db2.gz GAUJHADDJGMYPI-SFHVURJKSA-N -1 3 390.480 3.490 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1F ZINC000046199029 1404329153 /nfs/dbraw/zinc/32/91/53/1404329153.db2.gz NREAQZUTJNASMO-UHFFFAOYSA-N -1 3 396.509 3.379 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cccc(F)c1 ZINC000046213092 1404332782 /nfs/dbraw/zinc/33/27/82/1404332782.db2.gz MALFAHBXCZTTLW-UHFFFAOYSA-N -1 3 382.432 3.318 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)s2)ccc1F ZINC000046214863 1404334004 /nfs/dbraw/zinc/33/40/04/1404334004.db2.gz SGBSGIZTSPWFOQ-UHFFFAOYSA-N -1 3 390.889 3.157 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)ccc1F ZINC000046318395 1404362565 /nfs/dbraw/zinc/36/25/65/1404362565.db2.gz KRMDAZUQTQIJNS-GDBMZVCRSA-N -1 3 382.501 3.165 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1F ZINC000046332845 1404366808 /nfs/dbraw/zinc/36/68/08/1404366808.db2.gz LYAGPUKPDKVMKE-GOSISDBHSA-N -1 3 390.480 3.272 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000046363378 1404384781 /nfs/dbraw/zinc/38/47/81/1404384781.db2.gz LABCMIZGMHEXHQ-UHFFFAOYSA-N -1 3 384.823 3.475 20 0 GGADHM COc1cc[n-]c(=NNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 ZINC000046364933 1404385569 /nfs/dbraw/zinc/38/55/69/1404385569.db2.gz UZMRQVRDKKBRLF-STQMWFEESA-N -1 3 381.461 3.288 20 0 GGADHM COc1cc[n-]c(=NNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 ZINC000046364936 1404385812 /nfs/dbraw/zinc/38/58/12/1404385812.db2.gz UZMRQVRDKKBRLF-QWHCGFSZSA-N -1 3 381.461 3.288 20 0 GGADHM COc1cc[n-]c(=NNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 ZINC000046364931 1404385893 /nfs/dbraw/zinc/38/58/93/1404385893.db2.gz UZMRQVRDKKBRLF-OLZOCXBDSA-N -1 3 381.461 3.288 20 0 GGADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000046412632 1404406050 /nfs/dbraw/zinc/40/60/50/1404406050.db2.gz NRVNEZIKDCLKRJ-OCCSQVGLSA-N -1 3 385.464 3.013 20 0 GGADHM COCCOC(=O)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000046438701 1404415803 /nfs/dbraw/zinc/41/58/03/1404415803.db2.gz NXGMBZMFTPUUOW-UHFFFAOYSA-N -1 3 378.837 3.037 20 0 GGADHM Cc1noc([C@@H](C)OC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000046451851 1404421971 /nfs/dbraw/zinc/42/19/71/1404421971.db2.gz ANYJHMLUQMPPRZ-ACJLOTCBSA-N -1 3 395.415 3.249 20 0 GGADHM Cc1cc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)no1 ZINC000046451840 1404421980 /nfs/dbraw/zinc/42/19/80/1404421980.db2.gz VKFCAZIIGSDSMD-LJQANCHMSA-N -1 3 380.400 3.293 20 0 GGADHM Cc1cc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)no1 ZINC000046451839 1404422145 /nfs/dbraw/zinc/42/21/45/1404422145.db2.gz VKFCAZIIGSDSMD-IBGZPJMESA-N -1 3 380.400 3.293 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccccn1 ZINC000046452033 1404422726 /nfs/dbraw/zinc/42/27/26/1404422726.db2.gz SMVPOGQUWUCBJI-FQEVSTJZSA-N -1 3 376.412 3.392 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)N[N-]C(=O)c3ccc4ccccc4n3)cc2)n1 ZINC000046463362 1404428334 /nfs/dbraw/zinc/42/83/34/1404428334.db2.gz DMMYCAPVVPXMMF-UHFFFAOYSA-N -1 3 385.427 3.112 20 0 GGADHM Cc1ncsc1C(=O)N[N-]C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000046566275 1404486152 /nfs/dbraw/zinc/48/61/52/1404486152.db2.gz GYFYLGLOMVKXFQ-UHFFFAOYSA-N -1 3 397.485 3.235 20 0 GGADHM COc1cc(C)c([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2Cl)cc1OC ZINC000046618915 1404514008 /nfs/dbraw/zinc/51/40/08/1404514008.db2.gz KKFWIFWKQPEZKG-GFCCVEGCSA-N -1 3 391.855 3.371 20 0 GGADHM CCc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)s1 ZINC000046621422 1404514978 /nfs/dbraw/zinc/51/49/78/1404514978.db2.gz PALGIIBKVPMQQU-UHFFFAOYSA-N -1 3 384.498 3.066 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000046642795 1404527180 /nfs/dbraw/zinc/52/71/80/1404527180.db2.gz XBNDBSDJBSUUFZ-AWEZNQCLSA-N -1 3 392.496 3.436 20 0 GGADHM C[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000046642796 1404527299 /nfs/dbraw/zinc/52/72/99/1404527299.db2.gz XBNDBSDJBSUUFZ-CQSZACIVSA-N -1 3 392.496 3.436 20 0 GGADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1OC ZINC000046687395 1404553181 /nfs/dbraw/zinc/55/31/81/1404553181.db2.gz UHFVFPMAKCDBOZ-IBGZPJMESA-N -1 3 397.475 3.020 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCC(F)(F)F)cc2)cc1 ZINC000046916083 1404632758 /nfs/dbraw/zinc/63/27/58/1404632758.db2.gz DBYKHXLELYMTIR-UHFFFAOYSA-N -1 3 387.383 3.480 20 0 GGADHM O=C(NCc1ccc(Br)s1)N[N-]C(=O)c1ccccc1Cl ZINC000046995982 1404667226 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390.505 3.261 20 0 GGADHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000047269408 1404778808 /nfs/dbraw/zinc/77/88/08/1404778808.db2.gz HRSAKPSFMJJEIF-UHFFFAOYSA-N -1 3 387.436 3.193 20 0 GGADHM O=C(NCc1ccccc1F)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047269026 1404779041 /nfs/dbraw/zinc/77/90/41/1404779041.db2.gz HCFJRISNNDNCHK-UHFFFAOYSA-N -1 3 391.399 3.024 20 0 GGADHM Cc1ccc(OC2CCN(CCOc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737366255 1425821743 /nfs/dbraw/zinc/82/17/43/1425821743.db2.gz WIGZBEAAQGDBPC-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM Cc1ccc(OC2CCN(CCOc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737366255 1425821756 /nfs/dbraw/zinc/82/17/56/1425821756.db2.gz WIGZBEAAQGDBPC-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM Cc1ccccc1-n1ccnc1SCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000047471376 1404846679 /nfs/dbraw/zinc/84/66/79/1404846679.db2.gz MIUXCDURSLLFQE-UHFFFAOYSA-N -1 3 382.371 3.048 20 0 GGADHM Cc1ccccc1-n1ccnc1SCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000047471376 1404846681 /nfs/dbraw/zinc/84/66/81/1404846681.db2.gz MIUXCDURSLLFQE-UHFFFAOYSA-N -1 3 382.371 3.048 20 0 GGADHM CN1CCN(CCCNC(=O)c2ccc([O-])c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000047511806 1404855362 /nfs/dbraw/zinc/85/53/62/1404855362.db2.gz OUYVAOPYGVHLQY-IBGZPJMESA-N -1 3 387.911 3.154 20 0 GGADHM Cc1nc(-c2cccs2)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552845 1404865866 /nfs/dbraw/zinc/86/58/66/1404865866.db2.gz LQORSLFPNRRKBP-UHFFFAOYSA-N -1 3 387.486 3.045 20 0 GGADHM Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cn1 ZINC000047556850 1404867147 /nfs/dbraw/zinc/86/71/47/1404867147.db2.gz VLDBJACGIJVABU-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM CCOC(=O)c1ccc(NC(=S)N[N-]C(=O)c2ccc3ccccc3n2)cc1 ZINC000047582621 1404871778 /nfs/dbraw/zinc/87/17/78/1404871778.db2.gz FOFJMVDUOZCVAC-UHFFFAOYSA-N -1 3 394.456 3.043 20 0 GGADHM CN(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000047649544 1404886305 /nfs/dbraw/zinc/88/63/05/1404886305.db2.gz WJHNFVJWIRGTEA-UHFFFAOYSA-N -1 3 399.447 3.294 20 0 GGADHM Cc1nccn1CCCNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000047676509 1404891621 /nfs/dbraw/zinc/89/16/21/1404891621.db2.gz AVRXJSYRWQRYJF-UHFFFAOYSA-N -1 3 384.509 3.018 20 0 GGADHM CCCOc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000048124362 1405064660 /nfs/dbraw/zinc/06/46/60/1405064660.db2.gz SKSGWRVWMLKVQD-UHFFFAOYSA-N -1 3 391.855 3.386 20 0 GGADHM O=C([N-]NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1Cl ZINC000048168155 1405083436 /nfs/dbraw/zinc/08/34/36/1405083436.db2.gz KONVEOXYZYXSDF-UHFFFAOYSA-N -1 3 398.600 3.086 20 0 GGADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2F)C[C@@H](C)O1 ZINC000048230195 1405107030 /nfs/dbraw/zinc/10/70/30/1405107030.db2.gz ZNVHNSCRBXCXOI-CHWSQXEVSA-N -1 3 382.432 3.379 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000048230922 1405108664 /nfs/dbraw/zinc/10/86/64/1405108664.db2.gz OZDLGOBOXCXKNH-UHFFFAOYSA-N -1 3 394.468 3.252 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1OC ZINC000048230955 1405108703 /nfs/dbraw/zinc/10/87/03/1405108703.db2.gz SBVXWKLXNLCYBT-UHFFFAOYSA-N -1 3 380.441 3.244 20 0 GGADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)c1 ZINC000048244246 1405111589 /nfs/dbraw/zinc/11/15/89/1405111589.db2.gz YBTJRWROWWSYCY-UHFFFAOYSA-N -1 3 376.478 3.471 20 0 GGADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(F)c1 ZINC000048245608 1405112542 /nfs/dbraw/zinc/11/25/42/1405112542.db2.gz TVCHRUOZRSGQRT-UHFFFAOYSA-N -1 3 380.441 3.302 20 0 GGADHM CCN(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000048249717 1405114996 /nfs/dbraw/zinc/11/49/96/1405114996.db2.gz NLPHZGSWOVIVPO-UHFFFAOYSA-N -1 3 376.478 3.269 20 0 GGADHM CCn1cc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000048351624 1405157280 /nfs/dbraw/zinc/15/72/80/1405157280.db2.gz JTUWQCKOTLBUGF-UHFFFAOYSA-N -1 3 391.859 3.145 20 0 GGADHM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000048440340 1405190782 /nfs/dbraw/zinc/19/07/82/1405190782.db2.gz LUSQVXDDRMZODZ-JTQLQIEISA-N -1 3 390.324 3.429 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)s1 ZINC000048445283 1405192020 /nfs/dbraw/zinc/19/20/20/1405192020.db2.gz XIXYVSMXIWCDRN-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CCCCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000048661792 1405252012 /nfs/dbraw/zinc/25/20/12/1405252012.db2.gz IIMJCIIBTFQNBV-OAHLLOKOSA-N -1 3 398.507 3.413 20 0 GGADHM CCOc1ccccc1OCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049302028 1405361660 /nfs/dbraw/zinc/36/16/60/1405361660.db2.gz WVGJEHLXBQDNEK-UHFFFAOYSA-N -1 3 393.443 3.416 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nc(C(C)C)no3)c2)n1 ZINC000049301535 1405362142 /nfs/dbraw/zinc/36/21/42/1405362142.db2.gz WTJPUTCRIBWQAH-UHFFFAOYSA-N -1 3 381.436 3.077 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC)cc3OC)c2)n1 ZINC000049303023 1405362522 /nfs/dbraw/zinc/36/25/22/1405362522.db2.gz YCJVDZYYXBDTEO-UHFFFAOYSA-N -1 3 379.416 3.269 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cn4cccn4)cc3)c2)n1 ZINC000049303710 1405362593 /nfs/dbraw/zinc/36/25/93/1405362593.db2.gz OQMQFPIALWNWQM-UHFFFAOYSA-N -1 3 399.454 3.496 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(=O)c4ccccc4o3)c2)n1 ZINC000049302385 1405362770 /nfs/dbraw/zinc/36/27/70/1405362770.db2.gz DJELITZLMGLRAE-UHFFFAOYSA-N -1 3 387.395 3.358 20 0 GGADHM CCOc1ccc(OCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000049302240 1405362882 /nfs/dbraw/zinc/36/28/82/1405362882.db2.gz USOGALIEQOSDHR-UHFFFAOYSA-N -1 3 393.443 3.416 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncn3-c3ccccc3)c2)n1 ZINC000049302313 1405363042 /nfs/dbraw/zinc/36/30/42/1405363042.db2.gz GAIBNLVVEHAFHM-UHFFFAOYSA-N -1 3 385.427 3.437 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc4c(c3)CCO4)c2)n1 ZINC000049304077 1405363153 /nfs/dbraw/zinc/36/31/53/1405363153.db2.gz SDCRBVVPLZNGGX-UHFFFAOYSA-N -1 3 375.428 3.115 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(C)c(OC)c3)c2)n1 ZINC000049304402 1405363250 /nfs/dbraw/zinc/36/32/50/1405363250.db2.gz AHOMUOOOYOKMKW-UHFFFAOYSA-N -1 3 377.444 3.498 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)c2)n1 ZINC000049303121 1405363496 /nfs/dbraw/zinc/36/34/96/1405363496.db2.gz PDVCZMNOLSBRKJ-RNODOKPDSA-N -1 3 391.427 3.166 20 0 GGADHM CC(C)c1ccc([C@@H](C)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000735925101 1426925433 /nfs/dbraw/zinc/92/54/33/1426925433.db2.gz XYHGFQOYRNCDPY-QRWLVFNGSA-N -1 3 390.491 3.446 20 0 GGADHM CC(C)c1ccc([C@@H](C)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000735925101 1426925435 /nfs/dbraw/zinc/92/54/35/1426925435.db2.gz XYHGFQOYRNCDPY-QRWLVFNGSA-N -1 3 390.491 3.446 20 0 GGADHM Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000050177329 1405513763 /nfs/dbraw/zinc/51/37/63/1405513763.db2.gz NHCVEHHHYMMQTG-UHFFFAOYSA-N -1 3 389.408 3.221 20 0 GGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C1CC1)C1CC1 ZINC000050400302 1405570276 /nfs/dbraw/zinc/57/02/76/1405570276.db2.gz RUJWEIPHADMIOK-UHFFFAOYSA-N -1 3 382.501 3.163 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c(C)c1 ZINC000050531064 1405594846 /nfs/dbraw/zinc/59/48/46/1405594846.db2.gz YPIZJKIZXJOPIN-UHFFFAOYSA-N -1 3 388.489 3.491 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000050603468 1405611686 /nfs/dbraw/zinc/61/16/86/1405611686.db2.gz YJVBKQMSHTYWKD-VIFPVBQESA-N -1 3 394.140 3.262 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000050603468 1405611700 /nfs/dbraw/zinc/61/17/00/1405611700.db2.gz YJVBKQMSHTYWKD-VIFPVBQESA-N -1 3 394.140 3.262 20 0 GGADHM Cc1cccc2c(CCC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c[nH]c21 ZINC000175362872 1427707894 /nfs/dbraw/zinc/70/78/94/1427707894.db2.gz ZDNLLDKQGQLKRQ-UHFFFAOYSA-N -1 3 391.471 3.099 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000051265999 1405760440 /nfs/dbraw/zinc/76/04/40/1405760440.db2.gz SNYICLIKMPQETI-VIFPVBQESA-N -1 3 396.398 3.288 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000051265999 1405760446 /nfs/dbraw/zinc/76/04/46/1405760446.db2.gz SNYICLIKMPQETI-VIFPVBQESA-N -1 3 396.398 3.288 20 0 GGADHM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1=O ZINC000051265456 1405760817 /nfs/dbraw/zinc/76/08/17/1405760817.db2.gz RFQFRWMDXOQICS-WDEREUQCSA-N -1 3 395.385 3.329 20 0 GGADHM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1=O ZINC000051265456 1405760828 /nfs/dbraw/zinc/76/08/28/1405760828.db2.gz RFQFRWMDXOQICS-WDEREUQCSA-N -1 3 395.385 3.329 20 0 GGADHM O=C(COC(=O)[C@H](Oc1ccccc1)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000051521365 1405825456 /nfs/dbraw/zinc/82/54/56/1405825456.db2.gz KMKITWGTIPOIHN-LJQANCHMSA-N -1 3 395.436 3.368 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)c(C)c1 ZINC000052025175 1405904090 /nfs/dbraw/zinc/90/40/90/1405904090.db2.gz VEZKPGQGEPDLEX-UHFFFAOYSA-N -1 3 397.518 3.128 20 0 GGADHM Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000052179803 1405971136 /nfs/dbraw/zinc/97/11/36/1405971136.db2.gz OKVYVWUMBDHAQL-UHFFFAOYSA-N -1 3 388.470 3.331 20 0 GGADHM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000052328556 1406021425 /nfs/dbraw/zinc/02/14/25/1406021425.db2.gz SIIRUFJBJFZKKX-UHFFFAOYSA-N -1 3 382.460 3.122 20 0 GGADHM Cc1ccsc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052536707 1406079382 /nfs/dbraw/zinc/07/93/82/1406079382.db2.gz VSRNPYYROBOYDJ-UHFFFAOYSA-N -1 3 393.465 3.255 20 0 GGADHM CCOc1cc(CN(C)C(=O)c2cc3c(cc2[O-])OCO3)ccc1OC(F)F ZINC000052610517 1406094435 /nfs/dbraw/zinc/09/44/35/1406094435.db2.gz LPMRVCKLBWKSNG-UHFFFAOYSA-N -1 3 395.358 3.393 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c([O-])c1C ZINC000052641222 1406102452 /nfs/dbraw/zinc/10/24/52/1406102452.db2.gz HKGYIDVQJPUBTE-AWEZNQCLSA-N -1 3 379.420 3.053 20 0 GGADHM COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000052640776 1406102611 /nfs/dbraw/zinc/10/26/11/1406102611.db2.gz CHYPXBXBLAIPAW-UHFFFAOYSA-N -1 3 382.460 3.122 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c([O-])c1C ZINC000052641221 1406102846 /nfs/dbraw/zinc/10/28/46/1406102846.db2.gz HKGYIDVQJPUBTE-CQSZACIVSA-N -1 3 379.420 3.053 20 0 GGADHM Cc1cc(CSc2ccccc2C(=O)N[N-]C(=O)c2ccccc2F)on1 ZINC000052772583 1406160877 /nfs/dbraw/zinc/16/08/77/1406160877.db2.gz TVNCAQFOZDUGHW-UHFFFAOYSA-N -1 3 385.420 3.489 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2OC)n[n-]1 ZINC000052778908 1406166357 /nfs/dbraw/zinc/16/63/57/1406166357.db2.gz KLEINGMNLISBQV-CQSZACIVSA-N -1 3 380.448 3.433 20 0 GGADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)n1 ZINC000052779222 1406167133 /nfs/dbraw/zinc/16/71/33/1406167133.db2.gz NHIYFRPMGZKDMM-LBPRGKRZSA-N -1 3 386.839 3.270 20 0 GGADHM CC(C)c1ccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c([O-])c1 ZINC000052825395 1406186181 /nfs/dbraw/zinc/18/61/81/1406186181.db2.gz ARMHHWOGOMZUDJ-UHFFFAOYSA-N -1 3 375.490 3.251 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000056749427 1407418560 /nfs/dbraw/zinc/41/85/60/1407418560.db2.gz IXHMUZPEDZTLGH-UHFFFAOYSA-N -1 3 392.434 3.013 20 0 GGADHM Cc1ccc2nc(C3CC3)cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)c2c1 ZINC000176311573 1428238064 /nfs/dbraw/zinc/23/80/64/1428238064.db2.gz DVMAKMJLYJIZPA-UHFFFAOYSA-N -1 3 389.455 3.286 20 0 GGADHM COCCOc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826162488 1428240083 /nfs/dbraw/zinc/24/00/83/1428240083.db2.gz DOQSJTLCLRAPFL-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM COCCOc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826162488 1428240090 /nfs/dbraw/zinc/24/00/90/1428240090.db2.gz DOQSJTLCLRAPFL-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM COc1ccc(-c2cc(C(=O)[N-]c3nc(C)no3)nn2-c2ccccc2)cc1 ZINC000056912760 1407472778 /nfs/dbraw/zinc/47/27/78/1407472778.db2.gz OXXICWFSJIJLBK-UHFFFAOYSA-N -1 3 375.388 3.492 20 0 GGADHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000056941001 1407478744 /nfs/dbraw/zinc/47/87/44/1407478744.db2.gz QSKZQRMBCQCZLA-LJQANCHMSA-N -1 3 399.878 3.201 20 0 GGADHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000176320984 1428243186 /nfs/dbraw/zinc/24/31/86/1428243186.db2.gz VCPJPFCKDOFVJF-MJGOQNOKSA-N -1 3 382.508 3.400 20 0 GGADHM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000057117970 1407522456 /nfs/dbraw/zinc/52/24/56/1407522456.db2.gz FLFSPUOUPMGYDE-UHFFFAOYSA-N -1 3 390.852 3.144 20 0 GGADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 ZINC000057123637 1407527085 /nfs/dbraw/zinc/52/70/85/1407527085.db2.gz JQHZRPLTOZFKSB-CQSZACIVSA-N -1 3 393.461 3.217 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 ZINC000057153117 1407537210 /nfs/dbraw/zinc/53/72/10/1407537210.db2.gz SBRDRMMBZWSTCE-UHFFFAOYSA-N -1 3 376.342 3.055 20 0 GGADHM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000057153440 1407537355 /nfs/dbraw/zinc/53/73/55/1407537355.db2.gz QNNUBSFOWKAWCS-JOCHJYFZSA-N -1 3 392.499 3.478 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1Cl)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000057197497 1407553835 /nfs/dbraw/zinc/55/38/35/1407553835.db2.gz BVYYRPVVQIBEAJ-IAGOWNOFSA-N -1 3 391.830 3.343 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC3CC3)ccc2C)cc1 ZINC000057365471 1407596739 /nfs/dbraw/zinc/59/67/39/1407596739.db2.gz AXDXPSCIXJBNED-UHFFFAOYSA-N -1 3 388.489 3.286 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CC1CC1 ZINC000057365441 1407596777 /nfs/dbraw/zinc/59/67/77/1407596777.db2.gz AQEXNNFFIKRLDZ-UHFFFAOYSA-N -1 3 376.453 3.417 20 0 GGADHM CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000057372778 1407598833 /nfs/dbraw/zinc/59/88/33/1407598833.db2.gz WIRTUUVVPKWBOC-AWEZNQCLSA-N -1 3 376.478 3.333 20 0 GGADHM COc1cccc(N2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)c1 ZINC000057406535 1407609495 /nfs/dbraw/zinc/60/94/95/1407609495.db2.gz FVBQXVZABVEHTD-UHFFFAOYSA-N -1 3 380.444 3.138 20 0 GGADHM C[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000057432290 1407616391 /nfs/dbraw/zinc/61/63/91/1407616391.db2.gz BEFNQDZLHMDJHK-ZDUSSCGKSA-N -1 3 394.393 3.451 20 0 GGADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N1CCC(C)CC1 ZINC000057476370 1407631792 /nfs/dbraw/zinc/63/17/92/1407631792.db2.gz KJLDUXWKARORSX-AWEZNQCLSA-N -1 3 397.504 3.260 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CCCC2)no1 ZINC000057482067 1407633407 /nfs/dbraw/zinc/63/34/07/1407633407.db2.gz AIVDWXAAJPTLDH-UHFFFAOYSA-N -1 3 393.362 3.284 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3C(=O)CCCC3=O)cc2)c(C)c1 ZINC000057499248 1407637622 /nfs/dbraw/zinc/63/76/22/1407637622.db2.gz LNEGUANIGCXFIA-UHFFFAOYSA-N -1 3 386.473 3.456 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c(=O)[n-]1 ZINC000057770920 1407712999 /nfs/dbraw/zinc/71/29/99/1407712999.db2.gz YKEVNEVQFWYLQZ-UHFFFAOYSA-N -1 3 382.386 3.043 20 0 GGADHM COc1ccc([C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccccc2)cc1 ZINC000057809165 1407723522 /nfs/dbraw/zinc/72/35/22/1407723522.db2.gz PCOFSHKVTZNHFD-JOCHJYFZSA-N -1 3 391.471 3.234 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCOc3cccc(F)c3)[n-]c(=O)c21 ZINC000057812784 1407724069 /nfs/dbraw/zinc/72/40/69/1407724069.db2.gz NYZFCGXTTUEOSS-UHFFFAOYSA-N -1 3 389.408 3.136 20 0 GGADHM CCc1cc2c(CN(C)Cc3nccn3CC(F)(F)F)cc(=O)oc2cc1[O-] ZINC000057844860 1407735888 /nfs/dbraw/zinc/73/58/88/1407735888.db2.gz SPGDKKIQYWMQGY-UHFFFAOYSA-N -1 3 395.381 3.452 20 0 GGADHM Cc1c([O-])ccc2c(CN(C)Cc3nccn3CC(F)(F)F)cc(=O)oc12 ZINC000057844906 1407736423 /nfs/dbraw/zinc/73/64/23/1407736423.db2.gz QCYUDWPYOJQIOI-UHFFFAOYSA-N -1 3 381.354 3.198 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3CC(C)(C)C)nc(=O)c2c1C ZINC000057863984 1407742653 /nfs/dbraw/zinc/74/26/53/1407742653.db2.gz LKPAQBINCIAERJ-GFCCVEGCSA-N -1 3 377.510 3.480 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3CC(C)(C)C)nc(=O)c2c1C ZINC000057863987 1407742790 /nfs/dbraw/zinc/74/27/90/1407742790.db2.gz LKPAQBINCIAERJ-LBPRGKRZSA-N -1 3 377.510 3.480 20 0 GGADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCN(Cc2cccs2)CC1 ZINC000058205106 1407798038 /nfs/dbraw/zinc/79/80/38/1407798038.db2.gz YAYIYVWARQSVPP-UHFFFAOYSA-N -1 3 391.591 3.430 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(OC)c1 ZINC000058444168 1407828320 /nfs/dbraw/zinc/82/83/20/1407828320.db2.gz ZPSCHQVGRPTLHG-GOSISDBHSA-N -1 3 398.475 3.335 20 0 GGADHM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1c[n-]c2ccccc2c1=O ZINC000058446249 1407829031 /nfs/dbraw/zinc/82/90/31/1407829031.db2.gz FXYCNVNPBIIWHY-UHFFFAOYSA-N -1 3 376.334 3.356 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCO[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000058680558 1407863237 /nfs/dbraw/zinc/86/32/37/1407863237.db2.gz NYFQMZWQLIQWEW-WMLDXEAASA-N -1 3 399.484 3.042 20 0 GGADHM CCN(CC)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000058780847 1407879155 /nfs/dbraw/zinc/87/91/55/1407879155.db2.gz BXJKRZDUIGHRLW-UHFFFAOYSA-N -1 3 395.912 3.421 20 0 GGADHM O=C([N-]NC(=O)c1cc2c(s1)CCCCC2)c1cnn(-c2ccccc2F)c1 ZINC000058782667 1407879881 /nfs/dbraw/zinc/87/98/81/1407879881.db2.gz PTLFUONWAIOVKT-UHFFFAOYSA-N -1 3 398.463 3.417 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)O[C@@H]1CCCCC1=O ZINC000058786428 1407880616 /nfs/dbraw/zinc/88/06/16/1407880616.db2.gz OHNNGPPMRGTFBR-UYAOXDASSA-N -1 3 381.428 3.308 20 0 GGADHM C#CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000058870474 1407892177 /nfs/dbraw/zinc/89/21/77/1407892177.db2.gz OYMCZOZYHLLYSB-SNVBAGLBSA-N -1 3 378.277 3.250 20 0 GGADHM CCCc1ccc(C(=O)CCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000058894246 1407895511 /nfs/dbraw/zinc/89/55/11/1407895511.db2.gz SCTAWRGZMBYRRD-UHFFFAOYSA-N -1 3 387.457 3.163 20 0 GGADHM CN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000058915200 1407898628 /nfs/dbraw/zinc/89/86/28/1407898628.db2.gz LBLAVBKDGDERLA-UHFFFAOYSA-N -1 3 390.358 3.261 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000059424032 1407923400 /nfs/dbraw/zinc/92/34/00/1407923400.db2.gz JMQWWZGPDDGYFB-UHFFFAOYSA-N -1 3 389.408 3.484 20 0 GGADHM COc1ccc2cc([C@H](C)C(=O)NCCNC(=O)c3ccc([O-])cc3)ccc2c1 ZINC000059876931 1407927991 /nfs/dbraw/zinc/92/79/91/1407927991.db2.gz CAMHCZNKXCIOGB-HNNXBMFYSA-N -1 3 392.455 3.204 20 0 GGADHM O=c1[n-]nc(SCc2csc(Nc3ccccc3)n2)n1C[C@@H]1CCCO1 ZINC000060384752 1407967317 /nfs/dbraw/zinc/96/73/17/1407967317.db2.gz QXGQHXTZRHJNIJ-AWEZNQCLSA-N -1 3 389.506 3.243 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000060435053 1407976894 /nfs/dbraw/zinc/97/68/94/1407976894.db2.gz PTUUDRWWBFUKNO-UHFFFAOYSA-N -1 3 375.881 3.200 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000060435019 1407977002 /nfs/dbraw/zinc/97/70/02/1407977002.db2.gz ULXVXFBVHAZRPO-UHFFFAOYSA-N -1 3 375.881 3.200 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)COc3ccccc3C=O)nc(=O)c2c1C ZINC000060573426 1408004773 /nfs/dbraw/zinc/00/47/73/1408004773.db2.gz HKTGRALBIWHGEY-NSHDSACASA-N -1 3 386.429 3.097 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000060626654 1408014023 /nfs/dbraw/zinc/01/40/23/1408014023.db2.gz VKOLCFGXDAHKIF-HIFRSBDPSA-N -1 3 395.297 3.457 20 0 GGADHM O=C([N-]NC(=S)NCCSc1ccccc1)c1ccc2ccccc2n1 ZINC000061242340 1408095899 /nfs/dbraw/zinc/09/58/99/1408095899.db2.gz VKXHBZCTFNFJIT-UHFFFAOYSA-N -1 3 382.514 3.136 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)c(C)o1 ZINC000176393851 1428296745 /nfs/dbraw/zinc/29/67/45/1428296745.db2.gz ORMVSAXNHIBYSZ-KRWDZBQOSA-N -1 3 378.494 3.322 20 0 GGADHM Cc1nnc([C@@H](C)OC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000062277560 1408228210 /nfs/dbraw/zinc/22/82/10/1408228210.db2.gz GKGMCEQUVIDCGI-FZKQIMNGSA-N -1 3 395.415 3.249 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCc2cccc3ccccc32)c1 ZINC000063184733 1408314356 /nfs/dbraw/zinc/31/43/56/1408314356.db2.gz FDOMCGJWXHYPKM-UHFFFAOYSA-N -1 3 387.432 3.287 20 0 GGADHM COc1ccc(C2(C[N-]S(=O)(=O)c3c(C)noc3C)CCCCC2)cc1 ZINC000063200435 1408315721 /nfs/dbraw/zinc/31/57/21/1408315721.db2.gz BBHQJGMCHRQJHS-UHFFFAOYSA-N -1 3 378.494 3.480 20 0 GGADHM Cc1cnn(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000063305540 1408333925 /nfs/dbraw/zinc/33/39/25/1408333925.db2.gz OOIDLUBSEATUCD-UHFFFAOYSA-N -1 3 398.488 3.248 20 0 GGADHM Cc1cccc(C(C)(C)CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000063335773 1408340235 /nfs/dbraw/zinc/34/02/35/1408340235.db2.gz ZCDURFUSPJRAKU-UHFFFAOYSA-N -1 3 395.503 3.146 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)c1 ZINC000063347095 1408341914 /nfs/dbraw/zinc/34/19/14/1408341914.db2.gz HSEMBAPWUJHIBF-UHFFFAOYSA-N -1 3 381.400 3.109 20 0 GGADHM O=C1[N-]C(=O)/C(=C/NCc2ccc(Oc3cccnc3)c(F)c2)c2ccccc21 ZINC000063442042 1408354810 /nfs/dbraw/zinc/35/48/10/1408354810.db2.gz SFBVFKQTRADETP-QGOAFFKASA-N -1 3 389.386 3.414 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(F)c2)cc1 ZINC000063443209 1408354853 /nfs/dbraw/zinc/35/48/53/1408354853.db2.gz PGPNPRPSNZKSAZ-UHFFFAOYSA-N -1 3 383.441 3.441 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000063442467 1408355174 /nfs/dbraw/zinc/35/51/74/1408355174.db2.gz FQKNKZAVUFAOCN-UHFFFAOYSA-N -1 3 393.461 3.064 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1ccccc1Cl ZINC000063452472 1408356407 /nfs/dbraw/zinc/35/64/07/1408356407.db2.gz CQCHCMMEWNMVJD-UHFFFAOYSA-N -1 3 396.878 3.385 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@H](C)c1cccc2ccccc21 ZINC000063504934 1408364882 /nfs/dbraw/zinc/36/48/82/1408364882.db2.gz KEXQYPHJCNCUIY-CYBMUJFWSA-N -1 3 388.445 3.027 20 0 GGADHM CC(C)COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000063738926 1408399231 /nfs/dbraw/zinc/39/92/31/1408399231.db2.gz SDBYVXZRLUBCII-UHFFFAOYSA-N -1 3 382.460 3.025 20 0 GGADHM Cc1ccccc1[C@@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826306090 1428315158 /nfs/dbraw/zinc/31/51/58/1428315158.db2.gz PYQZTIFLDIVMET-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1ccccc1[C@@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826306090 1428315164 /nfs/dbraw/zinc/31/51/64/1428315164.db2.gz PYQZTIFLDIVMET-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccc3c(c2)CCC3)o1 ZINC000063875323 1408435131 /nfs/dbraw/zinc/43/51/31/1408435131.db2.gz GYUORNZRLWIVQD-UHFFFAOYSA-N -1 3 386.521 3.242 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)ccc1OC(C)C ZINC000063879648 1408436271 /nfs/dbraw/zinc/43/62/71/1408436271.db2.gz LPKJOLCXVAEFHK-UHFFFAOYSA-N -1 3 397.518 3.128 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000735561527 1428318372 /nfs/dbraw/zinc/31/83/72/1428318372.db2.gz LHIZZOSSZIKBHM-SJLPKXTDSA-N -1 3 390.491 3.148 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000735561527 1428318378 /nfs/dbraw/zinc/31/83/78/1428318378.db2.gz LHIZZOSSZIKBHM-SJLPKXTDSA-N -1 3 390.491 3.148 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912056 1408444213 /nfs/dbraw/zinc/44/42/13/1408444213.db2.gz HUYUFYZASHNPRQ-UHFFFAOYSA-N -1 3 386.330 3.226 20 0 GGADHM CC(C)(C)OCCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000063942207 1408450427 /nfs/dbraw/zinc/45/04/27/1408450427.db2.gz GJGVDBZUSWNWDP-UHFFFAOYSA-N -1 3 398.308 3.020 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOc1cccc(Cl)c1 ZINC000063969010 1408456256 /nfs/dbraw/zinc/45/62/56/1408456256.db2.gz PNLRLPRNVCUJOA-UHFFFAOYSA-N -1 3 388.851 3.462 20 0 GGADHM CC(C)c1ccc(OCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000064167094 1408500858 /nfs/dbraw/zinc/50/08/58/1408500858.db2.gz QGKJXDKWZGZVSP-UHFFFAOYSA-N -1 3 375.446 3.140 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1NS(C)(=O)=O ZINC000064373960 1408542107 /nfs/dbraw/zinc/54/21/07/1408542107.db2.gz FPJMMUPSCVYCPJ-UHFFFAOYSA-N -1 3 396.534 3.401 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1NS(C)(=O)=O ZINC000064373912 1408542236 /nfs/dbraw/zinc/54/22/36/1408542236.db2.gz TWECMNAGKYQZFX-UHFFFAOYSA-N -1 3 396.534 3.366 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000064476712 1408561962 /nfs/dbraw/zinc/56/19/62/1408561962.db2.gz IRNFKIDKZYVUAR-UHFFFAOYSA-N -1 3 380.466 3.475 20 0 GGADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C[C@H](C)O1 ZINC000064478297 1408562795 /nfs/dbraw/zinc/56/27/95/1408562795.db2.gz SWNCNRXVOODHIY-STQMWFEESA-N -1 3 382.432 3.379 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1C ZINC000064477784 1408563120 /nfs/dbraw/zinc/56/31/20/1408563120.db2.gz MBECSIGVDSEGNA-UHFFFAOYSA-N -1 3 387.505 3.220 20 0 GGADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000064479209 1408564454 /nfs/dbraw/zinc/56/44/54/1408564454.db2.gz GKBGVGCTPROQHI-UHFFFAOYSA-N -1 3 393.461 3.055 20 0 GGADHM CC(C)CCOc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000064547103 1408576482 /nfs/dbraw/zinc/57/64/82/1408576482.db2.gz CBPWZTJJVPUAOK-UHFFFAOYSA-N -1 3 385.464 3.369 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@@H](C)c1ccccc1 ZINC000176475041 1428332047 /nfs/dbraw/zinc/33/20/47/1428332047.db2.gz AATFCQGRWCMLAF-SJORKVTESA-N -1 3 381.476 3.052 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000064893279 1408625846 /nfs/dbraw/zinc/62/58/46/1408625846.db2.gz HYPMGVBLRGCEAR-UHFFFAOYSA-N -1 3 381.501 3.036 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1 ZINC000064938296 1408630498 /nfs/dbraw/zinc/63/04/98/1408630498.db2.gz RGVQXFAFNATIMG-UHFFFAOYSA-N -1 3 391.489 3.439 20 0 GGADHM CN(c1ccccc1)c1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000065072346 1408641945 /nfs/dbraw/zinc/64/19/45/1408641945.db2.gz AAHJCRIKELLTNM-UHFFFAOYSA-N -1 3 389.455 3.320 20 0 GGADHM CCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000065556341 1408688539 /nfs/dbraw/zinc/68/85/39/1408688539.db2.gz LUXMIPYSIOMZDC-UHFFFAOYSA-N -1 3 376.478 3.469 20 0 GGADHM COc1cc(C)ccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000065653790 1408705632 /nfs/dbraw/zinc/70/56/32/1408705632.db2.gz HQGHAMRENAXGJY-UHFFFAOYSA-N -1 3 392.477 3.171 20 0 GGADHM CCn1c(C)cc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1C ZINC000065659049 1408707127 /nfs/dbraw/zinc/70/71/27/1408707127.db2.gz WLQIOBCKVYXVOO-UHFFFAOYSA-N -1 3 379.482 3.147 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccco1)Cc1ccccc1 ZINC000065751518 1408724305 /nfs/dbraw/zinc/72/43/05/1408724305.db2.gz ISAACJZHWOHHDE-UHFFFAOYSA-N -1 3 375.384 3.398 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000065776071 1408727996 /nfs/dbraw/zinc/72/79/96/1408727996.db2.gz JKIAXPOTPNZVDX-INIZCTEOSA-N -1 3 389.477 3.266 20 0 GGADHM CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065787468 1408729889 /nfs/dbraw/zinc/72/98/89/1408729889.db2.gz LDVGIMYXSDRGTL-UHFFFAOYSA-N -1 3 380.404 3.199 20 0 GGADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1OC(F)F ZINC000065790008 1408730223 /nfs/dbraw/zinc/73/02/23/1408730223.db2.gz ILBWRQFRYRURBG-AWEZNQCLSA-N -1 3 389.358 3.444 20 0 GGADHM COC(=O)c1cccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)n1 ZINC000065791100 1408730282 /nfs/dbraw/zinc/73/02/82/1408730282.db2.gz DLZBNYCQCFYDST-UHFFFAOYSA-N -1 3 386.458 3.264 20 0 GGADHM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000065794942 1408731118 /nfs/dbraw/zinc/73/11/18/1408731118.db2.gz VTNFNUQVDXRNAL-LBPRGKRZSA-N -1 3 384.841 3.302 20 0 GGADHM CCCCOc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1OC ZINC000065798127 1408731526 /nfs/dbraw/zinc/73/15/26/1408731526.db2.gz NWZIAJLMPNYXBC-UHFFFAOYSA-N -1 3 397.431 3.079 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccco1)Cc1ccccc1O ZINC000065804393 1408733465 /nfs/dbraw/zinc/73/34/65/1408733465.db2.gz WMMDMQBZXZZBHZ-UHFFFAOYSA-N -1 3 391.383 3.103 20 0 GGADHM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065816473 1408734747 /nfs/dbraw/zinc/73/47/47/1408734747.db2.gz GEEVPWCMMPPOQW-UHFFFAOYSA-N -1 3 387.355 3.351 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1C(F)(F)F ZINC000065821162 1408735340 /nfs/dbraw/zinc/73/53/40/1408735340.db2.gz YQPWTVUHYIOUCD-VIFPVBQESA-N -1 3 377.322 3.472 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2CCC(C)CC2)cc1OC ZINC000065820765 1408735403 /nfs/dbraw/zinc/73/54/03/1408735403.db2.gz KYYCJMHKKQPDEG-UHFFFAOYSA-N -1 3 383.514 3.405 20 0 GGADHM Cc1cc(Cl)ccc1OCCCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065826447 1408736276 /nfs/dbraw/zinc/73/62/76/1408736276.db2.gz DTXJDRSWVCJXLZ-UHFFFAOYSA-N -1 3 387.823 3.123 20 0 GGADHM O=C([N-]NC(=O)c1ccc2c(c1)OCO2)c1sccc1-c1ccc(F)cc1 ZINC000065834719 1408737960 /nfs/dbraw/zinc/73/79/60/1408737960.db2.gz OOIREIIYGVIKOG-UHFFFAOYSA-N -1 3 384.388 3.358 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nnc(-c3ccccc3Cl)s2)c(=O)[n-]1 ZINC000065852985 1408742033 /nfs/dbraw/zinc/74/20/33/1408742033.db2.gz COXARGKOASVGKN-UHFFFAOYSA-N -1 3 389.868 3.130 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)F)c3ncccc23)c(=O)[n-]1 ZINC000065859130 1408743419 /nfs/dbraw/zinc/74/34/19/1408743419.db2.gz NSZAOPIDQKVHJH-UHFFFAOYSA-N -1 3 388.374 3.108 20 0 GGADHM Cc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(OCC(F)(F)F)c1 ZINC000065871524 1408746046 /nfs/dbraw/zinc/74/60/46/1408746046.db2.gz SLAGYFDKXUWICX-UHFFFAOYSA-N -1 3 383.370 3.208 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)cccc1F ZINC000065885940 1408747893 /nfs/dbraw/zinc/74/78/93/1408747893.db2.gz VOGCSJUSMHDHKS-MRXNPFEDSA-N -1 3 380.460 3.155 20 0 GGADHM N=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc([O-])c(Cl)c2)N1)OCCCO4 ZINC000065887982 1408748289 /nfs/dbraw/zinc/74/82/89/1408748289.db2.gz QBPQUAYDMZRXHW-MRXNPFEDSA-N -1 3 385.811 3.053 20 0 GGADHM COc1cc(C(=O)[N-]c2cc(C)on2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000065891481 1408748770 /nfs/dbraw/zinc/74/87/70/1408748770.db2.gz FSACAVQNPXNHAQ-UHFFFAOYSA-N -1 3 390.377 3.188 20 0 GGADHM CN(CCC(=O)Nc1sccc1-c1nn[n-]n1)Cc1ccc(Cl)c(F)c1 ZINC000825915005 1428346702 /nfs/dbraw/zinc/34/67/02/1428346702.db2.gz RAQDXMUGSPAHMI-UHFFFAOYSA-N -1 3 394.863 3.181 20 0 GGADHM CCC1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000066026126 1408775452 /nfs/dbraw/zinc/77/54/52/1408775452.db2.gz DRYPCNDDTJNJJM-UHFFFAOYSA-N -1 3 382.501 3.213 20 0 GGADHM O=C(NCCCc1nc2c(s1)CCCC2)N[N-]C(=O)c1ccccc1Cl ZINC000066204544 1408790580 /nfs/dbraw/zinc/79/05/80/1408790580.db2.gz UADNFZZKKKNQOP-UHFFFAOYSA-N -1 3 392.912 3.252 20 0 GGADHM COc1ccc([C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccc(C)cc2)cc1 ZINC000066326640 1408811877 /nfs/dbraw/zinc/81/18/77/1408811877.db2.gz SWRWXPIJCKUPFN-JOCHJYFZSA-N -1 3 391.471 3.152 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CCCC[C@@H]1C ZINC000066415512 1408833912 /nfs/dbraw/zinc/83/39/12/1408833912.db2.gz PMKYNIHONRGNIK-SUMWQHHRSA-N -1 3 382.501 3.307 20 0 GGADHM Cc1ccc2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)c2n1 ZINC000066462390 1408842423 /nfs/dbraw/zinc/84/24/23/1408842423.db2.gz XGMNWYSNBJUNIH-UHFFFAOYSA-N -1 3 399.447 3.375 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000066579439 1408860213 /nfs/dbraw/zinc/86/02/13/1408860213.db2.gz SVNIRCCCHGLMBB-CMDGGOBGSA-N -1 3 389.857 3.295 20 0 GGADHM COC(=O)Nc1cc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)ccc1F ZINC000066587938 1408861806 /nfs/dbraw/zinc/86/18/06/1408861806.db2.gz IDJQQWSGAIJEGB-UHFFFAOYSA-N -1 3 398.412 3.130 20 0 GGADHM O=C(NCCCc1cccc(Br)c1)N[N-]C(=O)c1ccccc1F ZINC000066600353 1408863702 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GGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(OC[C@@H]2CCCO2)c1 ZINC000067182291 1409034739 /nfs/dbraw/zinc/03/47/39/1409034739.db2.gz NXGVNKXMHCGELN-BRFSQIRFSA-N -1 3 378.428 3.276 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000822240224 1428378333 /nfs/dbraw/zinc/37/83/33/1428378333.db2.gz XVTCEOVESNPEMJ-RDTXWAMCSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000822240224 1428378339 /nfs/dbraw/zinc/37/83/39/1428378339.db2.gz XVTCEOVESNPEMJ-RDTXWAMCSA-N -1 3 394.454 3.160 20 0 GGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N[N-]C(=O)c1ccccc1F ZINC000067646922 1409196993 /nfs/dbraw/zinc/19/69/93/1409196993.db2.gz OCLQWBGVMQMTBU-UHFFFAOYSA-N -1 3 398.369 3.296 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)ccc1OC(C)C ZINC000067659691 1409200138 /nfs/dbraw/zinc/20/01/38/1409200138.db2.gz RVDMWGZGBRZRDI-UHFFFAOYSA-N -1 3 390.440 3.303 20 0 GGADHM COc1ccc(CC[C@H](C)NC(=O)N[N-]C(=O)c2ccccc2Cl)cc1 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Cc1nccn1CCCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435380 1409402075 /nfs/dbraw/zinc/40/20/75/1409402075.db2.gz WSKJWWIQYFENLA-UHFFFAOYSA-N -1 3 376.530 3.213 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc(OC)c2)cc1OC ZINC000068578252 1409443153 /nfs/dbraw/zinc/44/31/53/1409443153.db2.gz KCVWCVNMEPBZDY-UHFFFAOYSA-N -1 3 379.438 3.109 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000068597993 1409447575 /nfs/dbraw/zinc/44/75/75/1409447575.db2.gz YATNHFICKPWTAY-UHFFFAOYSA-N -1 3 388.427 3.463 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000068597929 1409447808 /nfs/dbraw/zinc/44/78/08/1409447808.db2.gz ORGGBGBPXOEKST-UHFFFAOYSA-N -1 3 386.411 3.373 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1OC ZINC000068630938 1409451602 /nfs/dbraw/zinc/45/16/02/1409451602.db2.gz RCFNXDLVZLTFMZ-CQSZACIVSA-N -1 3 393.465 3.249 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000068650868 1409455338 /nfs/dbraw/zinc/45/53/38/1409455338.db2.gz BGROUVYIVIFNRY-IBGZPJMESA-N -1 3 386.411 3.009 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)Cc3ccc4c(c3)OCO4)nc2)n1 ZINC000068662055 1409461562 /nfs/dbraw/zinc/46/15/62/1409461562.db2.gz ILHIVSSJMIJDCQ-UHFFFAOYSA-N -1 3 378.432 3.150 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(N2CCCC2=O)cc1 ZINC000068662297 1409461663 /nfs/dbraw/zinc/46/16/63/1409461663.db2.gz LNCUHSIIQRWWJY-AWEZNQCLSA-N -1 3 375.428 3.146 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OCCOC)cc3)nc2)n1 ZINC000068665542 1409463193 /nfs/dbraw/zinc/46/31/93/1409463193.db2.gz BBECXXQSBPFWNF-UHFFFAOYSA-N -1 3 380.448 3.032 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCOCCc3ccccc3)nc2)n1 ZINC000068668885 1409463882 /nfs/dbraw/zinc/46/38/82/1409463882.db2.gz QTSPPAJHPUPCOJ-UHFFFAOYSA-N -1 3 378.476 3.456 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCN(C)c3ccccc3F)nc2)n1 ZINC000068669364 1409464381 /nfs/dbraw/zinc/46/43/81/1409464381.db2.gz UHKVFCPLCHCLHS-UHFFFAOYSA-N -1 3 381.455 3.472 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccc(OC)cc4)C3)nc2)n1 ZINC000068696484 1409470743 /nfs/dbraw/zinc/47/07/43/1409470743.db2.gz OUPGRXNQLQCZQW-QGZVFWFLSA-N -1 3 376.460 3.397 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4ccc(F)cc4F)C3)nc2)n1 ZINC000068702923 1409471422 /nfs/dbraw/zinc/47/14/22/1409471422.db2.gz BPRDUCANOBADHM-MRXNPFEDSA-N -1 3 397.429 3.363 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4ccccc4F)C3)nc2)n1 ZINC000068699337 1409471503 /nfs/dbraw/zinc/47/15/03/1409471503.db2.gz XMHVUQLUUSUGDV-SFHVURJKSA-N -1 3 380.423 3.111 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCc4cc(OC)ccc4C3)nc2)n1 ZINC000068700813 1409471529 /nfs/dbraw/zinc/47/15/29/1409471529.db2.gz GZNDYNWDHBLBOH-UHFFFAOYSA-N -1 3 376.460 3.356 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4ccc(F)cc4F)C3)nc2)n1 ZINC000068702925 1409472030 /nfs/dbraw/zinc/47/20/30/1409472030.db2.gz BPRDUCANOBADHM-INIZCTEOSA-N -1 3 397.429 3.363 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(-c2ccncc2)no1 ZINC000068909589 1409521998 /nfs/dbraw/zinc/52/19/98/1409521998.db2.gz CUZIOMMHSXSKPZ-MRXNPFEDSA-N -1 3 390.440 3.087 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000068919187 1409524642 /nfs/dbraw/zinc/52/46/42/1409524642.db2.gz BCXUGZJDTODUNB-LBPRGKRZSA-N -1 3 398.413 3.229 20 0 GGADHM O=C(CSCc1nc2ccccc2s1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068974059 1409536399 /nfs/dbraw/zinc/53/63/99/1409536399.db2.gz MSXPCBBJNSWKND-UHFFFAOYSA-N -1 3 396.501 3.026 20 0 GGADHM O=C(CSCc1nc2ccccc2s1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068974059 1409536402 /nfs/dbraw/zinc/53/64/02/1409536402.db2.gz MSXPCBBJNSWKND-UHFFFAOYSA-N -1 3 396.501 3.026 20 0 GGADHM Cc1[nH]nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1C ZINC000068994119 1409538761 /nfs/dbraw/zinc/53/87/61/1409538761.db2.gz SAJPEDXXDSXVAF-UHFFFAOYSA-N -1 3 388.424 3.219 20 0 GGADHM Cc1cc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1Oc1ccc(F)cc1 ZINC000069047212 1409553612 /nfs/dbraw/zinc/55/36/12/1409553612.db2.gz PEBQZNWTUAXZKY-UHFFFAOYSA-N -1 3 395.434 3.485 20 0 GGADHM CCc1cc2c(CN3CCN(c4cccc(OC)c4)CC3)cc(=O)oc2cc1[O-] ZINC000069057214 1409553947 /nfs/dbraw/zinc/55/39/47/1409553947.db2.gz UBXOPZSBAHQNCE-UHFFFAOYSA-N -1 3 394.471 3.392 20 0 GGADHM Cc1cccc(CS(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000069121096 1409571878 /nfs/dbraw/zinc/57/18/78/1409571878.db2.gz DCYOCZLDIUDEJH-KRWDZBQOSA-N -1 3 386.477 3.257 20 0 GGADHM Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000069300325 1409610002 /nfs/dbraw/zinc/61/00/02/1409610002.db2.gz AXVACCDPHUUOCG-CQSZACIVSA-N -1 3 390.509 3.037 20 0 GGADHM Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000069300325 1409610008 /nfs/dbraw/zinc/61/00/08/1409610008.db2.gz AXVACCDPHUUOCG-CQSZACIVSA-N -1 3 390.509 3.037 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000069378438 1409624910 /nfs/dbraw/zinc/62/49/10/1409624910.db2.gz IRPNEMLMSITWBA-UHFFFAOYSA-N -1 3 397.862 3.054 20 0 GGADHM O=C(NCC1CC1)[C@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000069375658 1409625066 /nfs/dbraw/zinc/62/50/66/1409625066.db2.gz JEYXSCONPNFOIM-KRWDZBQOSA-N -1 3 391.585 3.259 20 0 GGADHM C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820412984 1428417968 /nfs/dbraw/zinc/41/79/68/1428417968.db2.gz NTLVIUSLRKPXKP-SUMWQHHRSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820412984 1428417971 /nfs/dbraw/zinc/41/79/71/1428417971.db2.gz NTLVIUSLRKPXKP-SUMWQHHRSA-N -1 3 396.882 3.366 20 0 GGADHM CC(C)N1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC000069537040 1409650012 /nfs/dbraw/zinc/65/00/12/1409650012.db2.gz SXDZQHFVQCCRLA-UHFFFAOYSA-N -1 3 396.413 3.153 20 0 GGADHM COc1cc2nc(-c3cnn(-c4cccc(Cl)c4)c3)[n-]c(=O)c2cc1OC ZINC000069578972 1409655969 /nfs/dbraw/zinc/65/59/69/1409655969.db2.gz CSHOHZALYGSVBU-UHFFFAOYSA-N -1 3 382.807 3.446 20 0 GGADHM O=S(=O)([N-]C1CCN(c2cccs2)CC1)c1ccc(Cl)nc1Cl ZINC000176707404 1428423698 /nfs/dbraw/zinc/42/36/98/1428423698.db2.gz RPNLLUGGFBHDKT-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@H]1CCc2c1cccc2Br ZINC000069865932 1409718082 /nfs/dbraw/zinc/71/80/82/1409718082.db2.gz WWCMJMJZVRFOKV-HNNXBMFYSA-N -1 3 392.228 3.220 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000070964303 1409807078 /nfs/dbraw/zinc/80/70/78/1409807078.db2.gz VWOQWZRZNGLNNY-JTQLQIEISA-N -1 3 385.816 3.432 20 0 GGADHM O=C1[N-]C(=O)C(=CNCCc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000071817250 1409825576 /nfs/dbraw/zinc/82/55/76/1409825576.db2.gz FGXBEXWSADVGNI-LFIBNONCSA-N -1 3 376.334 3.028 20 0 GGADHM O=C(c1ccc(SC(F)F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000071955725 1409833381 /nfs/dbraw/zinc/83/33/81/1409833381.db2.gz LAAQZLYBZLQUIO-UHFFFAOYSA-N -1 3 392.427 3.305 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000071961870 1409833711 /nfs/dbraw/zinc/83/37/11/1409833711.db2.gz DOYLNPVYCGAVCQ-IAGOWNOFSA-N -1 3 392.377 3.061 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc([O-])cc1 ZINC000071961872 1409834185 /nfs/dbraw/zinc/83/41/85/1409834185.db2.gz BFAWYLJPCCLJEI-CVEARBPZSA-N -1 3 392.377 3.061 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1OC ZINC000072005613 1409836492 /nfs/dbraw/zinc/83/64/92/1409836492.db2.gz KHGZZFJUVTXPAB-JKSUJKDBSA-N -1 3 392.452 3.338 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1cccnc1 ZINC000078515126 1409922460 /nfs/dbraw/zinc/92/24/60/1409922460.db2.gz XYRKZVOGIKKMBO-UHFFFAOYSA-N -1 3 387.383 3.043 20 0 GGADHM Cc1ccc2c(CC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)coc2c1C ZINC000078961175 1409946850 /nfs/dbraw/zinc/94/68/50/1409946850.db2.gz MRWMSIRAESYWGM-UHFFFAOYSA-N -1 3 392.455 3.282 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000091811240 1410083713 /nfs/dbraw/zinc/08/37/13/1410083713.db2.gz LBKOMOVYHMHKFX-UHFFFAOYSA-N -1 3 383.467 3.090 20 0 GGADHM COc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1OC ZINC000091811239 1410083903 /nfs/dbraw/zinc/08/39/03/1410083903.db2.gz CRZYTFCJSWBGNF-UHFFFAOYSA-N -1 3 390.867 3.021 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CCCN3Cc3ccccc3)c2)n1 ZINC000091862214 1410086815 /nfs/dbraw/zinc/08/68/15/1410086815.db2.gz DMWUKMJCAIEFKM-FQEVSTJZSA-N -1 3 389.455 3.315 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cn(C)nc3-c3cccs3)c2)n1 ZINC000091862228 1410087017 /nfs/dbraw/zinc/08/70/17/1410087017.db2.gz OYUXUHYUFJFNFT-UHFFFAOYSA-N -1 3 392.440 3.427 20 0 GGADHM COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1OC(C)C ZINC000091923379 1410092719 /nfs/dbraw/zinc/09/27/19/1410092719.db2.gz KSMZPWPAHSTUNU-UHFFFAOYSA-N -1 3 384.476 3.146 20 0 GGADHM CCCn1c2ccccc2nc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000091923586 1410092805 /nfs/dbraw/zinc/09/28/05/1410092805.db2.gz RHRUCLQBFZPGEM-UHFFFAOYSA-N -1 3 378.476 3.110 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000091923929 1410093060 /nfs/dbraw/zinc/09/30/60/1410093060.db2.gz YDHRBKJINHXDAQ-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000091924291 1410093131 /nfs/dbraw/zinc/09/31/31/1410093131.db2.gz PHEZUXIMUMOYPX-UHFFFAOYSA-N -1 3 396.878 3.394 20 0 GGADHM CCOc1ccc(C2=CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)cc1 ZINC000091927542 1410093677 /nfs/dbraw/zinc/09/36/77/1410093677.db2.gz PNQCRCRCBOQBRF-UHFFFAOYSA-N -1 3 381.476 3.034 20 0 GGADHM NC(=O)c1csc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000091934002 1410094473 /nfs/dbraw/zinc/09/44/73/1410094473.db2.gz KFRUEGXEPSMSAF-UHFFFAOYSA-N -1 3 393.896 3.057 20 0 GGADHM CCc1cccc(C(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1[O-] ZINC000093910603 1410283968 /nfs/dbraw/zinc/28/39/68/1410283968.db2.gz XHHIKFFUPLHSCV-LJQANCHMSA-N -1 3 395.459 3.225 20 0 GGADHM NC(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1F ZINC000093943691 1410287887 /nfs/dbraw/zinc/28/78/87/1410287887.db2.gz PDWMKXWDUTZYOO-UHFFFAOYSA-N -1 3 380.375 3.462 20 0 GGADHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000094020400 1410295025 /nfs/dbraw/zinc/29/50/25/1410295025.db2.gz BUHWKKBDGATELU-GFCCVEGCSA-N -1 3 380.441 3.126 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000094075308 1410302128 /nfs/dbraw/zinc/30/21/28/1410302128.db2.gz VQOVOMBOAJMVBE-LJQANCHMSA-N -1 3 396.512 3.121 20 0 GGADHM O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094075514 1410302167 /nfs/dbraw/zinc/30/21/67/1410302167.db2.gz PJWFZGFTHLAHRB-LJQANCHMSA-N -1 3 396.512 3.024 20 0 GGADHM CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000094137109 1410307066 /nfs/dbraw/zinc/30/70/66/1410307066.db2.gz WRLYRKHBDDHIFO-INIZCTEOSA-N -1 3 389.517 3.268 20 0 GGADHM COCCCn1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000094153241 1410308798 /nfs/dbraw/zinc/30/87/98/1410308798.db2.gz SOUSFUYHUVFUFC-UHFFFAOYSA-N -1 3 381.432 3.457 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(F)cc1F ZINC000095468045 1410313258 /nfs/dbraw/zinc/31/32/58/1410313258.db2.gz XYEMEPHWFXZIQF-UHFFFAOYSA-N -1 3 394.355 3.207 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccco2)c2ccc(F)cc2F)c(=O)[n-]1 ZINC000097206813 1410357610 /nfs/dbraw/zinc/35/76/10/1410357610.db2.gz PGPFCEXGPSDRGM-UHFFFAOYSA-N -1 3 387.386 3.424 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cnc1Cl ZINC000097575780 1410380278 /nfs/dbraw/zinc/38/02/78/1410380278.db2.gz HWOPJGYHYQMEGZ-UHFFFAOYSA-N -1 3 375.233 3.269 20 0 GGADHM CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098066337 1410403962 /nfs/dbraw/zinc/40/39/62/1410403962.db2.gz AINSZTNSPRZUEH-SNVBAGLBSA-N -1 3 381.325 3.456 20 0 GGADHM CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098066338 1410404141 /nfs/dbraw/zinc/40/41/41/1410404141.db2.gz AINSZTNSPRZUEH-JTQLQIEISA-N -1 3 381.325 3.456 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)cc1 ZINC000098073549 1410406537 /nfs/dbraw/zinc/40/65/37/1410406537.db2.gz PUOAFPWVGDTJCZ-UHFFFAOYSA-N -1 3 393.940 3.455 20 0 GGADHM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1cn(-c2ccccc2)nn1 ZINC000098150434 1410433505 /nfs/dbraw/zinc/43/35/05/1410433505.db2.gz HHCJPVDPPQEXAO-UHFFFAOYSA-N -1 3 381.399 3.458 20 0 GGADHM CCN(Cc1c(F)cccc1F)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000101526806 1410449262 /nfs/dbraw/zinc/44/92/62/1410449262.db2.gz GMOGTPWDDIJGHN-UHFFFAOYSA-N -1 3 398.413 3.010 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)CCC3CCCCC3)nc(=O)c2c1C ZINC000101566025 1410466412 /nfs/dbraw/zinc/46/64/12/1410466412.db2.gz JSAKPJAPUDLUPS-UHFFFAOYSA-N -1 3 377.510 3.482 20 0 GGADHM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000176824802 1428486404 /nfs/dbraw/zinc/48/64/04/1428486404.db2.gz KXLPWORNPWKXGT-UHFFFAOYSA-N -1 3 398.344 3.221 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(F)cc1F)Nc1cccc2ccccc21 ZINC000101579470 1410471701 /nfs/dbraw/zinc/47/17/01/1410471701.db2.gz ZGOVFMJGYBRZBN-UHFFFAOYSA-N -1 3 376.384 3.035 20 0 GGADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)o1 ZINC000101641805 1410484927 /nfs/dbraw/zinc/48/49/27/1410484927.db2.gz CEYVGANFWSAKCE-UHFFFAOYSA-N -1 3 396.428 3.015 20 0 GGADHM Cc1ccc(-c2nc([N-]C(=O)c3nc(C4CC4)n(-c4ccccc4)n3)n[nH]2)cc1 ZINC000102467255 1410636014 /nfs/dbraw/zinc/63/60/14/1410636014.db2.gz MMEOQLLQFVTNHM-UHFFFAOYSA-N -1 3 385.431 3.491 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000102484815 1410638805 /nfs/dbraw/zinc/63/88/05/1410638805.db2.gz LQMDQQJIXJJMKX-UHFFFAOYSA-N -1 3 378.432 3.419 20 0 GGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 ZINC000102748234 1410722591 /nfs/dbraw/zinc/72/25/91/1410722591.db2.gz YHVBIVUBHBKUOA-UHFFFAOYSA-N -1 3 384.860 3.425 20 0 GGADHM Cc1c([O-])ccc2c(CNc3ccc(N4CCOCC4)c(F)c3)cc(=O)oc12 ZINC000102778405 1410745133 /nfs/dbraw/zinc/74/51/33/1410745133.db2.gz QHYPUUKBMXEPID-UHFFFAOYSA-N -1 3 384.407 3.395 20 0 GGADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)o1 ZINC000102823900 1410786367 /nfs/dbraw/zinc/78/63/67/1410786367.db2.gz PMRYFHBVMWRYTF-UHFFFAOYSA-N -1 3 398.423 3.482 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102907580 1410806134 /nfs/dbraw/zinc/80/61/34/1410806134.db2.gz BREBXCNHCDRVIV-UHFFFAOYSA-N -1 3 391.836 3.098 20 0 GGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c([O-])c1 ZINC000102908790 1410806628 /nfs/dbraw/zinc/80/66/28/1410806628.db2.gz QBGXXGZUNJXFAR-UHFFFAOYSA-N -1 3 376.815 3.091 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000102941572 1410810856 /nfs/dbraw/zinc/81/08/56/1410810856.db2.gz INCRIMQRMMEGOH-UHFFFAOYSA-N -1 3 390.842 3.345 20 0 GGADHM COCCn1c(C)c(C)c2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)ccc21 ZINC000103073550 1410825310 /nfs/dbraw/zinc/82/53/10/1410825310.db2.gz WTPSKWJLTFJTFH-UHFFFAOYSA-N -1 3 381.358 3.294 20 0 GGADHM COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)ccc21 ZINC000103073550 1410825313 /nfs/dbraw/zinc/82/53/13/1410825313.db2.gz WTPSKWJLTFJTFH-UHFFFAOYSA-N -1 3 381.358 3.294 20 0 GGADHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2ccco2)n1 ZINC000103201810 1410836874 /nfs/dbraw/zinc/83/68/74/1410836874.db2.gz SOFIBAAHBJMJLV-UHFFFAOYSA-N -1 3 382.361 3.349 20 0 GGADHM Cc1ccc(C(C)(C)CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000103316374 1410846740 /nfs/dbraw/zinc/84/67/40/1410846740.db2.gz HEVNIJWMEVRVFK-UHFFFAOYSA-N -1 3 395.503 3.146 20 0 GGADHM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(CN(C)C)ccn2)cc1 ZINC000176913722 1428519135 /nfs/dbraw/zinc/51/91/35/1428519135.db2.gz RYFXTHKTDXFGJA-UHFFFAOYSA-N -1 3 382.493 3.011 20 0 GGADHM CCOc1ccc(CCC2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)cc1 ZINC000104097468 1410884173 /nfs/dbraw/zinc/88/41/73/1410884173.db2.gz YYNQSAHLSHXWFB-UHFFFAOYSA-N -1 3 380.492 3.266 20 0 GGADHM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1c[n-]c2ccccc2c1=O ZINC000104430335 1410896431 /nfs/dbraw/zinc/89/64/31/1410896431.db2.gz OSGDQVQPJIKUHR-UHFFFAOYSA-N -1 3 395.312 3.455 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCC3)cc1Cl ZINC000104735689 1410949871 /nfs/dbraw/zinc/94/98/71/1410949871.db2.gz HAXHXFYEJQECDC-UHFFFAOYSA-N -1 3 396.871 3.405 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000104832738 1410972930 /nfs/dbraw/zinc/97/29/30/1410972930.db2.gz NVZJGFZLMYRYBO-HNNXBMFYSA-N -1 3 377.425 3.157 20 0 GGADHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104835508 1410973872 /nfs/dbraw/zinc/97/38/72/1410973872.db2.gz HWPGGUXCQCSXRX-UHFFFAOYSA-N -1 3 382.379 3.366 20 0 GGADHM Cc1nc(C)c(-c2csc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)n2)s1 ZINC000104852103 1410978785 /nfs/dbraw/zinc/97/87/85/1410978785.db2.gz OEWRLIIRUFUDQL-UHFFFAOYSA-N -1 3 384.442 3.019 20 0 GGADHM O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1c[n-]c2ccccc2c1=O ZINC000176968690 1428534245 /nfs/dbraw/zinc/53/42/45/1428534245.db2.gz BDZXMQKMJFHNJF-UHFFFAOYSA-N -1 3 379.807 3.074 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)NC)cc2)cc1 ZINC000105390647 1411061819 /nfs/dbraw/zinc/06/18/19/1411061819.db2.gz LVMJCBJCJZVMTI-CQSZACIVSA-N -1 3 376.478 3.126 20 0 GGADHM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000105390731 1411062075 /nfs/dbraw/zinc/06/20/75/1411062075.db2.gz VLUXMTBFVPXKAY-UHFFFAOYSA-N -1 3 390.505 3.201 20 0 GGADHM O=C(Nc1ccc2c(c1)CCC2)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105592906 1411089116 /nfs/dbraw/zinc/08/91/16/1411089116.db2.gz HJHRMZRJXRYQLI-UHFFFAOYSA-N -1 3 392.427 3.147 20 0 GGADHM C[C@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c2ccccc21 ZINC000105595590 1411089660 /nfs/dbraw/zinc/08/96/60/1411089660.db2.gz CHWQLROCMYEUET-NSHDSACASA-N -1 3 392.427 3.169 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(F)c1 ZINC000105616546 1411092337 /nfs/dbraw/zinc/09/23/37/1411092337.db2.gz JDSYMJCXCWGGQT-INIZCTEOSA-N -1 3 399.369 3.044 20 0 GGADHM Cc1cccn2cc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)nc12 ZINC000105786622 1411124225 /nfs/dbraw/zinc/12/42/25/1411124225.db2.gz BBLNNWXPYMLZBP-UHFFFAOYSA-N -1 3 388.456 3.357 20 0 GGADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)ccc21 ZINC000106007566 1411146610 /nfs/dbraw/zinc/14/66/10/1411146610.db2.gz SWAZJBPPHGWPIT-CYBMUJFWSA-N -1 3 386.473 3.110 20 0 GGADHM 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388.464 3.160 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCc4ccccc4C3)nc(=O)c2c1C ZINC000106886994 1411315743 /nfs/dbraw/zinc/31/57/43/1411315743.db2.gz DVFMXJBXODZWHI-UHFFFAOYSA-N -1 3 383.473 3.028 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccccc2C(F)(F)F)c1 ZINC000106918714 1411320434 /nfs/dbraw/zinc/32/04/34/1411320434.db2.gz PTWNNIQDFKIJOT-UHFFFAOYSA-N -1 3 382.338 3.178 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c([O-])c1 ZINC000106920726 1411320723 /nfs/dbraw/zinc/32/07/23/1411320723.db2.gz JWGIFIIABSIXFO-CYBMUJFWSA-N -1 3 389.521 3.452 20 0 GGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000107198222 1411350390 /nfs/dbraw/zinc/35/03/90/1411350390.db2.gz GSZBNQOEIOKFAN-UHFFFAOYSA-N -1 3 378.461 3.349 20 0 GGADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cn(Cc2ccccc2)nn1 ZINC000107198937 1411351025 /nfs/dbraw/zinc/35/10/25/1411351025.db2.gz LGCOQONTOSJRBR-UHFFFAOYSA-N -1 3 376.445 3.021 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2Oc2ccccc2)o1 ZINC000107270301 1411356137 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390.358 3.261 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4)c(Cl)c3)ccc2N1 ZINC000107532327 1411385487 /nfs/dbraw/zinc/38/54/87/1411385487.db2.gz UPHDJYSEXYFLBC-UHFFFAOYSA-N -1 3 391.880 3.236 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)c(=O)[n-]1 ZINC000107641181 1411395167 /nfs/dbraw/zinc/39/51/67/1411395167.db2.gz FXSOXXSRPKPTFC-UHFFFAOYSA-N -1 3 391.406 3.250 20 0 GGADHM COc1ccccc1[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000108179372 1411448663 /nfs/dbraw/zinc/44/86/63/1411448663.db2.gz ZCWYQWYHDORQRV-JOCHJYFZSA-N -1 3 391.471 3.234 20 0 GGADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(Cc4ccccc4F)s3)nn2)cc1 ZINC000108207449 1411452044 /nfs/dbraw/zinc/45/20/44/1411452044.db2.gz NUDLEBPZDYWRLJ-UHFFFAOYSA-N -1 3 394.435 3.409 20 0 GGADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2)no1 ZINC000108251056 1411459450 /nfs/dbraw/zinc/45/94/50/1411459450.db2.gz SASWJACROSBLBG-UHFFFAOYSA-N -1 3 385.445 3.247 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c3c2CCCC3)cc1 ZINC000108261086 1411461143 /nfs/dbraw/zinc/46/11/43/1411461143.db2.gz ZDGVHOPVGALPTG-UHFFFAOYSA-N -1 3 390.369 3.449 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c3c2CCCC3)cc1 ZINC000108261086 1411461149 /nfs/dbraw/zinc/46/11/49/1411461149.db2.gz ZDGVHOPVGALPTG-UHFFFAOYSA-N -1 3 390.369 3.449 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000108452222 1411505715 /nfs/dbraw/zinc/50/57/15/1411505715.db2.gz OYZUPRARYHFLGP-FQEVSTJZSA-N -1 3 386.407 3.098 20 0 GGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108456943 1411508039 /nfs/dbraw/zinc/50/80/39/1411508039.db2.gz HPCFPIPIKMRXCR-HXUWFJFHSA-N -1 3 380.419 3.253 20 0 GGADHM O=S(=O)(Cc1noc(-c2cccs2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000108593082 1411545989 /nfs/dbraw/zinc/54/59/89/1411545989.db2.gz IVPFQAICQLEYAM-UHFFFAOYSA-N -1 3 393.494 3.013 20 0 GGADHM O=S(=O)(Cc1noc(-c2cccs2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000108593082 1411546005 /nfs/dbraw/zinc/54/60/05/1411546005.db2.gz IVPFQAICQLEYAM-UHFFFAOYSA-N -1 3 393.494 3.013 20 0 GGADHM O=S(=O)(Cc1noc(-c2ccsc2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000108592836 1411546579 /nfs/dbraw/zinc/54/65/79/1411546579.db2.gz LEPNADFHQLVLOW-UHFFFAOYSA-N -1 3 393.494 3.013 20 0 GGADHM O=S(=O)(Cc1noc(-c2ccsc2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000108592836 1411546585 /nfs/dbraw/zinc/54/65/85/1411546585.db2.gz LEPNADFHQLVLOW-UHFFFAOYSA-N -1 3 393.494 3.013 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1ccc(OC(F)F)cc1 ZINC000108682329 1411570469 /nfs/dbraw/zinc/57/04/69/1411570469.db2.gz ATVQPYAINQMATN-UHFFFAOYSA-N -1 3 394.407 3.404 20 0 GGADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(CN2CCOCC2)CC1 ZINC000177072851 1428578126 /nfs/dbraw/zinc/57/81/26/1428578126.db2.gz ZJDBAROZNPUFQB-UHFFFAOYSA-N -1 3 388.895 3.383 20 0 GGADHM O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1c[n-]c2ccccc2c1=O ZINC000108727749 1411587326 /nfs/dbraw/zinc/58/73/26/1411587326.db2.gz NFTSQQGPAKICKR-UHFFFAOYSA-N -1 3 384.439 3.133 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)CCCC(C)C)c2)n1 ZINC000177087978 1428583781 /nfs/dbraw/zinc/58/37/81/1428583781.db2.gz DPJOTLZUPFNROL-OAHLLOKOSA-N -1 3 398.507 3.269 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)CCCC(C)C)c2)n1 ZINC000177087964 1428583858 /nfs/dbraw/zinc/58/38/58/1428583858.db2.gz DPJOTLZUPFNROL-HNNXBMFYSA-N -1 3 398.507 3.269 20 0 GGADHM COCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000109252446 1411725841 /nfs/dbraw/zinc/72/58/41/1411725841.db2.gz VZWBPTQZAADVGS-UHFFFAOYSA-N -1 3 394.468 3.043 20 0 GGADHM COCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000109251078 1411726091 /nfs/dbraw/zinc/72/60/91/1411726091.db2.gz VQBFDLIZEGMMDG-UHFFFAOYSA-N -1 3 390.505 3.213 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000109423428 1411759368 /nfs/dbraw/zinc/75/93/68/1411759368.db2.gz YDMJIDKOXIPJHS-UHFFFAOYSA-N -1 3 397.903 3.340 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)c(C)c3)cc2C[C@@H]1C ZINC000109424839 1411760012 /nfs/dbraw/zinc/76/00/12/1411760012.db2.gz XGWIRZOHUSHXHK-AWEZNQCLSA-N -1 3 387.505 3.159 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(COc3ccccc3)no2)ccc1F ZINC000109481704 1411771606 /nfs/dbraw/zinc/77/16/06/1411771606.db2.gz HNXDOOHOMXNKRH-UHFFFAOYSA-N -1 3 391.424 3.141 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccn3)no2)ccc1F ZINC000109497117 1411773952 /nfs/dbraw/zinc/77/39/52/1411773952.db2.gz UJXQAEDYCDJIQW-UHFFFAOYSA-N -1 3 376.413 3.015 20 0 GGADHM COc1ccc(Cc2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000109554016 1411785898 /nfs/dbraw/zinc/78/58/98/1411785898.db2.gz VQUALVHLUCJEIH-CQSZACIVSA-N -1 3 387.461 3.017 20 0 GGADHM Cc1nc(C)c(Cc2nc(-c3cccc(OCc4cccnc4)c3)no2)c(=O)[n-]1 ZINC000109583261 1411794348 /nfs/dbraw/zinc/79/43/48/1411794348.db2.gz VSYQVINVSLIWDO-UHFFFAOYSA-N -1 3 389.415 3.002 20 0 GGADHM Cc1nc(C)c(Cc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c(=O)[n-]1 ZINC000109583971 1411795493 /nfs/dbraw/zinc/79/54/93/1411795493.db2.gz CTOUZYPZWXAXIC-UHFFFAOYSA-N -1 3 393.378 3.354 20 0 GGADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000109626895 1411801378 /nfs/dbraw/zinc/80/13/78/1411801378.db2.gz KDFILUUIJVILDI-UHFFFAOYSA-N -1 3 385.423 3.477 20 0 GGADHM O=C(CCOc1ccccc1)[N-]OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000109744079 1411807260 /nfs/dbraw/zinc/80/72/60/1411807260.db2.gz QQSROCVCVWTPCD-UHFFFAOYSA-N -1 3 382.338 3.161 20 0 GGADHM Cc1c(NC(=O)c2c[n-]c3ccccc3c2=O)cccc1C(=O)N1CCCC1 ZINC000109822258 1411812331 /nfs/dbraw/zinc/81/23/31/1411812331.db2.gz UNOKMNIFPWWITP-UHFFFAOYSA-N -1 3 375.428 3.325 20 0 GGADHM O=C(Nc1ccncc1[O-])[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000109890023 1411816861 /nfs/dbraw/zinc/81/68/61/1411816861.db2.gz BEWFXMGVPDNHMX-MRXNPFEDSA-N -1 3 375.428 3.431 20 0 GGADHM Cc1cc(C)n(-c2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc2F)n1 ZINC000109954181 1411820914 /nfs/dbraw/zinc/82/09/14/1411820914.db2.gz PBRLJNNPCHVVPP-UHFFFAOYSA-N -1 3 377.379 3.117 20 0 GGADHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000109958741 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GGADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000111900939 1412047238 /nfs/dbraw/zinc/04/72/38/1412047238.db2.gz XPDLAAIVRUVDAQ-RTWAWAEBSA-N -1 3 393.487 3.196 20 0 GGADHM Cc1ncsc1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000111954897 1412061610 /nfs/dbraw/zinc/06/16/10/1412061610.db2.gz AZQBBSICCMQTTL-UHFFFAOYSA-N -1 3 386.470 3.024 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1C ZINC000111994871 1412063556 /nfs/dbraw/zinc/06/35/56/1412063556.db2.gz XITUXVWILLORIT-INIZCTEOSA-N -1 3 390.505 3.198 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c1 ZINC000111994779 1412063636 /nfs/dbraw/zinc/06/36/36/1412063636.db2.gz QJTGQUDUABMVHY-OAHLLOKOSA-N -1 3 388.489 3.083 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)ccc1F ZINC000111994878 1412063667 /nfs/dbraw/zinc/06/36/67/1412063667.db2.gz KAYIJAKOZUSOEF-OAHLLOKOSA-N -1 3 378.469 3.328 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000111994777 1412063718 /nfs/dbraw/zinc/06/37/18/1412063718.db2.gz QJTGQUDUABMVHY-HNNXBMFYSA-N -1 3 388.489 3.083 20 0 GGADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCOCC1 ZINC000111994923 1412063764 /nfs/dbraw/zinc/06/37/64/1412063764.db2.gz AECCWAHYIYHGQG-ZDUSSCGKSA-N -1 3 382.432 3.159 20 0 GGADHM O=C(c1cnc(-c2ccsc2)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000112393003 1412138956 /nfs/dbraw/zinc/13/89/56/1412138956.db2.gz RZIPYFWTCWBXAN-UHFFFAOYSA-N -1 3 399.497 3.175 20 0 GGADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000112643777 1412185774 /nfs/dbraw/zinc/18/57/74/1412185774.db2.gz YYOVFKLGLPYMKR-QFIPXVFZSA-N -1 3 390.487 3.271 20 0 GGADHM CC1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000112683708 1412191675 /nfs/dbraw/zinc/19/16/75/1412191675.db2.gz KRAKTCXJCMUDER-UHFFFAOYSA-N -1 3 379.457 3.217 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ccc1F ZINC000112860690 1412226500 /nfs/dbraw/zinc/22/65/00/1412226500.db2.gz UGHSMWJCPPKEAY-UHFFFAOYSA-N -1 3 375.425 3.246 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNc3ccccc3OC)c2)n1 ZINC000112870817 1412228477 /nfs/dbraw/zinc/22/84/77/1412228477.db2.gz SVLWSAUYPNHYND-UHFFFAOYSA-N -1 3 378.432 3.059 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](C)c1ccccc1 ZINC000177222530 1428638942 /nfs/dbraw/zinc/63/89/42/1428638942.db2.gz YAMMKVNRSRFAQO-ZIAGYGMSSA-N -1 3 390.480 3.188 20 0 GGADHM N#CCOc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000113303618 1412289702 /nfs/dbraw/zinc/28/97/02/1412289702.db2.gz BOEGKANFONLIFH-UHFFFAOYSA-N -1 3 377.274 3.436 20 0 GGADHM CC(C)c1ccc(C(C)(C)NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922183 1428642697 /nfs/dbraw/zinc/64/26/97/1428642697.db2.gz HTXOMXIQXHUIEX-UHFFFAOYSA-N -1 3 392.507 3.131 20 0 GGADHM CC(C)c1ccc(C(C)(C)NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922183 1428642700 /nfs/dbraw/zinc/64/27/00/1428642700.db2.gz HTXOMXIQXHUIEX-UHFFFAOYSA-N -1 3 392.507 3.131 20 0 GGADHM CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3CN(C)C)cc2[n-]c1=S ZINC000113911320 1412350370 /nfs/dbraw/zinc/35/03/70/1412350370.db2.gz WFESHCSQTRYHGM-UHFFFAOYSA-N -1 3 396.516 3.327 20 0 GGADHM CN1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000114072920 1412379194 /nfs/dbraw/zinc/37/91/94/1412379194.db2.gz LPEVLOOKHHEMCK-QGZVFWFLSA-N -1 3 393.896 3.174 20 0 GGADHM COc1ccccc1[C@@H](C)NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000114185446 1412388665 /nfs/dbraw/zinc/38/86/65/1412388665.db2.gz DERISGBTYFZCEC-MRXNPFEDSA-N -1 3 392.455 3.316 20 0 GGADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000114313535 1412411765 /nfs/dbraw/zinc/41/17/65/1412411765.db2.gz QHUZNTBJIBPRFD-UHFFFAOYSA-N -1 3 377.397 3.205 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c(=O)[n-]1 ZINC000114334367 1412415331 /nfs/dbraw/zinc/41/53/31/1412415331.db2.gz VPGKTGIAXXPWIH-UHFFFAOYSA-N -1 3 388.537 3.089 20 0 GGADHM Cc1nc(C)c(CC(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)c(=O)[n-]1 ZINC000114628929 1412481117 /nfs/dbraw/zinc/48/11/17/1412481117.db2.gz NGHYONMDZZOWOG-CQSZACIVSA-N -1 3 388.773 3.299 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H](C(C)C)CC3)nc(=O)c2c1C ZINC000114730218 1412514314 /nfs/dbraw/zinc/51/43/14/1412514314.db2.gz OYFKCFOPRTURSA-ZDUSSCGKSA-N -1 3 377.510 3.338 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncoc3[C@@H]3CCCO3)c2)n1 ZINC000115032181 1412572576 /nfs/dbraw/zinc/57/25/76/1412572576.db2.gz IOVPYHGPKUDZIO-HNNXBMFYSA-N -1 3 380.404 3.091 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3ccoc3)c2)cc1 ZINC000115240640 1412618867 /nfs/dbraw/zinc/61/88/67/1412618867.db2.gz JKEKOQUZZYLCJI-UHFFFAOYSA-N -1 3 386.429 3.019 20 0 GGADHM CCCCC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240599 1412619100 /nfs/dbraw/zinc/61/91/00/1412619100.db2.gz XHVLCUZRIGVNTI-UHFFFAOYSA-N -1 3 376.478 3.302 20 0 GGADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)cc1 ZINC000115311918 1412644163 /nfs/dbraw/zinc/64/41/63/1412644163.db2.gz FPURMOJPNRZOJP-UHFFFAOYSA-N -1 3 376.478 3.150 20 0 GGADHM COc1ccc(CCN(CC(C)(C)C)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000115450697 1412680369 /nfs/dbraw/zinc/68/03/69/1412680369.db2.gz DHQAYDPCQVOMED-UHFFFAOYSA-N -1 3 385.508 3.055 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3cscn3)c2)cc1 ZINC000115627055 1412738359 /nfs/dbraw/zinc/73/83/59/1412738359.db2.gz NEJHJZYEUHHXOY-UHFFFAOYSA-N -1 3 389.502 3.242 20 0 GGADHM COc1ccc([C@H](NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)C2CC2)cc1 ZINC000115646804 1412743627 /nfs/dbraw/zinc/74/36/27/1412743627.db2.gz SOOCNACDDYDZTB-HXUWFJFHSA-N -1 3 395.415 3.103 20 0 GGADHM COc1ccc([C@H](NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)C2CC2)cc1 ZINC000115646804 1412743635 /nfs/dbraw/zinc/74/36/35/1412743635.db2.gz SOOCNACDDYDZTB-HXUWFJFHSA-N -1 3 395.415 3.103 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)c1 ZINC000115877810 1412806894 /nfs/dbraw/zinc/80/68/94/1412806894.db2.gz OCCUDRRRPNJYNW-UHFFFAOYSA-N -1 3 377.437 3.013 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c(=O)[n-]1 ZINC000116030592 1412823062 /nfs/dbraw/zinc/82/30/62/1412823062.db2.gz KMADNXRNDWCVDX-MHZLTWQESA-N -1 3 389.521 3.005 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000116159795 1412838709 /nfs/dbraw/zinc/83/87/09/1412838709.db2.gz LNKCFTIWUYNFOS-VWLOTQADSA-N -1 3 393.530 3.470 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000116446428 1412861697 /nfs/dbraw/zinc/86/16/97/1412861697.db2.gz CLSDXWSSKOPZHA-UHFFFAOYSA-N -1 3 375.384 3.064 20 0 GGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)o1 ZINC000177315799 1428684842 /nfs/dbraw/zinc/68/48/42/1428684842.db2.gz UTGAQKLBBKCSET-UHFFFAOYSA-N -1 3 387.339 3.232 20 0 GGADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000116981492 1412970558 /nfs/dbraw/zinc/97/05/58/1412970558.db2.gz DQLSNTBGAITKAV-QGZVFWFLSA-N -1 3 376.437 3.346 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000116981490 1412970698 /nfs/dbraw/zinc/97/06/98/1412970698.db2.gz DQLSNTBGAITKAV-KRWDZBQOSA-N 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ZINC000118320834 1413149602 /nfs/dbraw/zinc/14/96/02/1413149602.db2.gz ILRJMSHXQGPSPD-UHFFFAOYSA-N -1 3 390.443 3.156 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000118329727 1413151112 /nfs/dbraw/zinc/15/11/12/1413151112.db2.gz SEBWDGAJELGAPA-UHFFFAOYSA-N -1 3 389.455 3.443 20 0 GGADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000118340395 1413152779 /nfs/dbraw/zinc/15/27/79/1413152779.db2.gz IBWNXBXPIUQLMN-UHFFFAOYSA-N -1 3 398.850 3.067 20 0 GGADHM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1nnc2ccccc2c1[O-] ZINC000118339661 1413152903 /nfs/dbraw/zinc/15/29/03/1413152903.db2.gz ABIUJRWQKIUEMW-UHFFFAOYSA-N -1 3 382.383 3.114 20 0 GGADHM COC[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(C(F)(F)F)c1 ZINC000118348964 1413153596 /nfs/dbraw/zinc/15/35/96/1413153596.db2.gz TZDKPEFCGCARHK-HNNXBMFYSA-N -1 3 391.349 3.059 20 0 GGADHM O=C1OCc2c1cccc2S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435577 1413161418 /nfs/dbraw/zinc/16/14/18/1413161418.db2.gz QENHXUFCNBLOSD-AWEZNQCLSA-N -1 3 389.326 3.078 20 0 GGADHM O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000118520503 1413170664 /nfs/dbraw/zinc/17/06/64/1413170664.db2.gz XEYPJJWWDAQCDS-MRXNPFEDSA-N -1 3 377.227 3.298 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)n[n-]1 ZINC000118662729 1413203297 /nfs/dbraw/zinc/20/32/97/1413203297.db2.gz VOFKFODWJPCLOI-UHFFFAOYSA-N -1 3 399.457 3.111 20 0 GGADHM CCN1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000118826496 1413235301 /nfs/dbraw/zinc/23/53/01/1413235301.db2.gz GXMIYOAUAVWSLX-UHFFFAOYSA-N -1 3 386.496 3.318 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN([C@H](C)c4cccnc4)CC3)cc(=O)oc12 ZINC000118836986 1413240907 /nfs/dbraw/zinc/24/09/07/1413240907.db2.gz BRJQMUSSQWAPMJ-MRXNPFEDSA-N -1 3 379.460 3.081 20 0 GGADHM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CCN(CCc2ccccn2)CC1 ZINC000118883328 1413259505 /nfs/dbraw/zinc/25/95/05/1413259505.db2.gz PUTIIGSZQJEVLX-UHFFFAOYSA-N -1 3 396.516 3.291 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3)c2)s1 ZINC000119120250 1413344397 /nfs/dbraw/zinc/34/43/97/1413344397.db2.gz JGQLQZQAHZZHLS-CYBMUJFWSA-N -1 3 394.518 3.174 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1F ZINC000177404713 1428721411 /nfs/dbraw/zinc/72/14/11/1428721411.db2.gz PBRDVKPCLDBBIR-UHFFFAOYSA-N -1 3 376.331 3.005 20 0 GGADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000119257361 1413391364 /nfs/dbraw/zinc/39/13/64/1413391364.db2.gz WTOCFDYHGUXVEE-UHFFFAOYSA-N -1 3 396.491 3.414 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl)c1c(C)noc1C ZINC000119273052 1413396242 /nfs/dbraw/zinc/39/62/42/1413396242.db2.gz MYYHNYRQTKOZFQ-ZDUSSCGKSA-N -1 3 386.857 3.161 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](O)c1ccc(F)cc1 ZINC000119329298 1413413768 /nfs/dbraw/zinc/41/37/68/1413413768.db2.gz OPQMQCVIGYWWSK-VFZGTOFNSA-N -1 3 395.349 3.384 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1F ZINC000119444852 1413448576 /nfs/dbraw/zinc/44/85/76/1413448576.db2.gz DUGRNIXDSXGASY-UHFFFAOYSA-N -1 3 396.459 3.014 20 0 GGADHM CCOc1cc(CCCNC(=O)c2c[n-]c3ccccc3c2=O)ccc1OC ZINC000119443530 1413448636 /nfs/dbraw/zinc/44/86/36/1413448636.db2.gz SGNPGGINOCVBNC-UHFFFAOYSA-N -1 3 380.444 3.298 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(-c2nccs2)cc1 ZINC000119552208 1413483551 /nfs/dbraw/zinc/48/35/51/1413483551.db2.gz GHIZETXPTJCKCP-UHFFFAOYSA-N -1 3 382.445 3.067 20 0 GGADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc([C@H]3CCOC3)no2)cc1 ZINC000119577775 1413491300 /nfs/dbraw/zinc/49/13/00/1413491300.db2.gz YWPQCUVXWGKQOG-ZDUSSCGKSA-N -1 3 389.408 3.180 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2oc3ccccc3c2C)ccc1F ZINC000177429192 1428733419 /nfs/dbraw/zinc/73/34/19/1428733419.db2.gz MEKPAANMGDUWOY-GFCCVEGCSA-N -1 3 390.436 3.279 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CCCC2)ccc1F ZINC000119658168 1413518421 /nfs/dbraw/zinc/51/84/21/1413518421.db2.gz NEHRILSZKDLLRZ-UHFFFAOYSA-N -1 3 382.501 3.450 20 0 GGADHM CCCCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c1 ZINC000177436672 1428736771 /nfs/dbraw/zinc/73/67/71/1428736771.db2.gz QOCRBTSDKTYRKC-UHFFFAOYSA-N -1 3 380.441 3.165 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2C)ccc1F ZINC000119796039 1413572926 /nfs/dbraw/zinc/57/29/26/1413572926.db2.gz VFXIXAITXQZCNV-UHFFFAOYSA-N -1 3 390.358 3.313 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)c(=O)[n-]1 ZINC000119802422 1413574664 /nfs/dbraw/zinc/57/46/64/1413574664.db2.gz ACNFMQKBTCLSNW-LBPRGKRZSA-N -1 3 387.455 3.125 20 0 GGADHM CC1CCN([C@H](CNC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2)CC1 ZINC000820723278 1428741724 /nfs/dbraw/zinc/74/17/24/1428741724.db2.gz YVIPZUHCHUWMMI-QGZVFWFLSA-N -1 3 396.520 3.131 20 0 GGADHM CC1CCN([C@H](CNC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc2)CC1 ZINC000820723278 1428741730 /nfs/dbraw/zinc/74/17/30/1428741730.db2.gz YVIPZUHCHUWMMI-QGZVFWFLSA-N -1 3 396.520 3.131 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccncc3)ccc2C)ccc1F ZINC000177454895 1428743829 /nfs/dbraw/zinc/74/38/29/1428743829.db2.gz ZLVFSJGQYFWNIJ-UHFFFAOYSA-N -1 3 399.447 3.357 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC(F)F)c2)ccc1F ZINC000177459579 1428744856 /nfs/dbraw/zinc/74/48/56/1428744856.db2.gz RXSOOXBEIQFIKH-UHFFFAOYSA-N -1 3 390.408 3.301 20 0 GGADHM CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000120108830 1413691377 /nfs/dbraw/zinc/69/13/77/1413691377.db2.gz XBUYUCKUZXICTD-CYBMUJFWSA-N -1 3 375.899 3.201 20 0 GGADHM CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000120131039 1413700234 /nfs/dbraw/zinc/70/02/34/1413700234.db2.gz NSVIJDRWQXDOFX-MRXNPFEDSA-N -1 3 387.860 3.278 20 0 GGADHM Cc1nc(C)c(CCC(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)c(=O)[n-]1 ZINC000120223343 1413738704 /nfs/dbraw/zinc/73/87/04/1413738704.db2.gz OJHCZGUCKYMTEJ-LLVKDONJSA-N -1 3 390.390 3.369 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc3ccccc3s2)ccc1F ZINC000177468079 1428751809 /nfs/dbraw/zinc/75/18/09/1428751809.db2.gz XKLXZCOBFZXMOK-NSHDSACASA-N -1 3 392.477 3.440 20 0 GGADHM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000120509317 1413833318 /nfs/dbraw/zinc/83/33/18/1413833318.db2.gz JHYFYHKUMDESTP-HXPMCKFVSA-N -1 3 381.480 3.099 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000120604898 1413853042 /nfs/dbraw/zinc/85/30/42/1413853042.db2.gz HTLPQQDATCZJDD-SNVBAGLBSA-N -1 3 391.320 3.306 20 0 GGADHM CCC(=O)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000120651651 1413866311 /nfs/dbraw/zinc/86/63/11/1413866311.db2.gz DLZVSZUWRDXFEK-UHFFFAOYSA-N -1 3 390.436 3.111 20 0 GGADHM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000120665452 1413869770 /nfs/dbraw/zinc/86/97/70/1413869770.db2.gz QXIQKVPFPBIFIX-UHFFFAOYSA-N -1 3 398.422 3.064 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c(C)o1 ZINC000120716415 1413883172 /nfs/dbraw/zinc/88/31/72/1413883172.db2.gz HYJUXMJGMUTCOL-UHFFFAOYSA-N -1 3 389.433 3.020 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000120730721 1413887122 /nfs/dbraw/zinc/88/71/22/1413887122.db2.gz UINGRYKPIPGAEV-UHFFFAOYSA-N -1 3 391.456 3.357 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)c1 ZINC000120740029 1413889783 /nfs/dbraw/zinc/88/97/83/1413889783.db2.gz IJXNHRKPVHFMRS-CQSZACIVSA-N -1 3 378.432 3.086 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c(=O)[n-]1 ZINC000120785404 1413902317 /nfs/dbraw/zinc/90/23/17/1413902317.db2.gz CYVIOUFYPVPHLL-UHFFFAOYSA-N -1 3 387.443 3.297 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000120972549 1413964529 /nfs/dbraw/zinc/96/45/29/1413964529.db2.gz NZAGMEXMOYRUSX-UHFFFAOYSA-N -1 3 398.390 3.096 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000120980240 1413967237 /nfs/dbraw/zinc/96/72/37/1413967237.db2.gz JYUHSWCUMVXXCF-UHFFFAOYSA-N -1 3 391.830 3.040 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(C)c3ncccc23)ccc1F ZINC000177503503 1428772854 /nfs/dbraw/zinc/77/28/54/1428772854.db2.gz NZNSISGXWLUPII-UHFFFAOYSA-N -1 3 387.436 3.151 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccccc2)no1 ZINC000121011396 1413975994 /nfs/dbraw/zinc/97/59/94/1413975994.db2.gz XLFXPQGHOLSXNT-LLVKDONJSA-N -1 3 379.388 3.097 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1F ZINC000121033991 1413983816 /nfs/dbraw/zinc/98/38/16/1413983816.db2.gz OPNJLGHASBIIPP-GFCCVEGCSA-N -1 3 393.415 3.405 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2nc(-c3ccccc3)no2)c(F)cc1F ZINC000121040948 1413986463 /nfs/dbraw/zinc/98/64/63/1413986463.db2.gz KZTVAMHIIAMHQN-GFCCVEGCSA-N -1 3 393.415 3.405 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177500748 1428771297 /nfs/dbraw/zinc/77/12/97/1428771297.db2.gz GNEFAHGKLKBSKL-QGZVFWFLSA-N -1 3 392.496 3.136 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)ccc1F ZINC000177501207 1428771462 /nfs/dbraw/zinc/77/14/62/1428771462.db2.gz LMEYRJKLYVOZJF-YVEFUNNKSA-N -1 3 394.443 3.096 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1 ZINC000121075045 1413998349 /nfs/dbraw/zinc/99/83/49/1413998349.db2.gz JIOZXHPCIPBBLD-UHFFFAOYSA-N -1 3 387.461 3.293 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)n2)ccc1F ZINC000177502204 1428772140 /nfs/dbraw/zinc/77/21/40/1428772140.db2.gz NEUPAWQDDKWGCO-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)n1 ZINC000121120973 1414015045 /nfs/dbraw/zinc/01/50/45/1414015045.db2.gz VXDGVIFNJBIBDU-UHFFFAOYSA-N -1 3 379.457 3.085 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC)c(Cl)c2)ccc1F ZINC000177517025 1428778497 /nfs/dbraw/zinc/77/84/97/1428778497.db2.gz FGACNQSSLZUXJV-UHFFFAOYSA-N -1 3 388.873 3.361 20 0 GGADHM CCOc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(C(F)(F)F)c1 ZINC000121244331 1414056572 /nfs/dbraw/zinc/05/65/72/1414056572.db2.gz GNNCEMTVVCSUGV-UHFFFAOYSA-N -1 3 383.370 3.376 20 0 GGADHM CCc1cc(=O)[n-]c(CN(CC)CC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000177503448 1428773002 /nfs/dbraw/zinc/77/30/02/1428773002.db2.gz SCSKVPUADNPJTK-UHFFFAOYSA-N -1 3 382.386 3.224 20 0 GGADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1OCC(F)(F)F ZINC000121314403 1414080860 /nfs/dbraw/zinc/08/08/60/1414080860.db2.gz BAHWQNYGSMUCQI-UHFFFAOYSA-N -1 3 377.322 3.425 20 0 GGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000121381849 1414102114 /nfs/dbraw/zinc/10/21/14/1414102114.db2.gz BYZAEUIFDZXOKL-AWEZNQCLSA-N -1 3 375.277 3.181 20 0 GGADHM Cc1c(I)cccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000121480280 1414142859 /nfs/dbraw/zinc/14/28/59/1414142859.db2.gz JJZVVAIMVFEEMI-GFCCVEGCSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1c(I)cccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000121480280 1414142867 /nfs/dbraw/zinc/14/28/67/1414142867.db2.gz JJZVVAIMVFEEMI-GFCCVEGCSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c(F)c1 ZINC000121607644 1414197968 /nfs/dbraw/zinc/19/79/68/1414197968.db2.gz HKJIESHJEYNWBG-UHFFFAOYSA-N -1 3 380.416 3.310 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)OC1CCCCC1 ZINC000177551747 1428790411 /nfs/dbraw/zinc/79/04/11/1428790411.db2.gz XYFOLTYEHMWNCE-UHFFFAOYSA-N -1 3 379.400 3.001 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Cn4cccn4)cc3)c[n-]c12 ZINC000121700481 1414228767 /nfs/dbraw/zinc/22/87/67/1414228767.db2.gz OZLACYDHGLMOKC-UHFFFAOYSA-N -1 3 376.391 3.473 20 0 GGADHM O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1n[n-]c(-c2ccco2)n1 ZINC000121760154 1414248998 /nfs/dbraw/zinc/24/89/98/1414248998.db2.gz WDGDXVBMMVCOPF-UHFFFAOYSA-N -1 3 382.355 3.215 20 0 GGADHM CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825141381 1428795528 /nfs/dbraw/zinc/79/55/28/1428795528.db2.gz OAGNEBBEQPSWIY-BLLLJJGKSA-N -1 3 398.467 3.153 20 0 GGADHM CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825141381 1428795532 /nfs/dbraw/zinc/79/55/32/1428795532.db2.gz OAGNEBBEQPSWIY-BLLLJJGKSA-N -1 3 398.467 3.153 20 0 GGADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C)o1 ZINC000121889739 1414292248 /nfs/dbraw/zinc/29/22/48/1414292248.db2.gz ZWCGAXFBTOKZTG-HNNXBMFYSA-N -1 3 378.277 3.389 20 0 GGADHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C)o1 ZINC000121906931 1414302277 /nfs/dbraw/zinc/30/22/77/1414302277.db2.gz VMRXOUZQWFNWEH-OAHLLOKOSA-N -1 3 395.374 3.240 20 0 GGADHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C)o1 ZINC000121917953 1414306618 /nfs/dbraw/zinc/30/66/18/1414306618.db2.gz IPWNNEFFQIHKOD-OAHLLOKOSA-N -1 3 378.277 3.389 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1F)N1CCCC1 ZINC000121933271 1414312900 /nfs/dbraw/zinc/31/29/00/1414312900.db2.gz ULRPSBCUNSQQLJ-UHFFFAOYSA-N -1 3 384.379 3.141 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)cc1F ZINC000122004291 1414337911 /nfs/dbraw/zinc/33/79/11/1414337911.db2.gz KZINZSXZPZBUEH-UHFFFAOYSA-N -1 3 381.379 3.077 20 0 GGADHM Fc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2nn[n-]n2)c1 ZINC000826374931 1428803354 /nfs/dbraw/zinc/80/33/54/1428803354.db2.gz SFENGRFEXXWBJH-ZDUSSCGKSA-N -1 3 395.364 3.058 20 0 GGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(OC[C@H]2CCCO2)c1 ZINC000122287221 1414413260 /nfs/dbraw/zinc/41/32/60/1414413260.db2.gz NXGVNKXMHCGELN-PWDRBQJJSA-N -1 3 378.428 3.276 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC(F)F)cc2)c(C)o1 ZINC000177597156 1428806594 /nfs/dbraw/zinc/80/65/94/1428806594.db2.gz UOGRGGQEPKNSKB-UHFFFAOYSA-N -1 3 376.406 3.063 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)cc1F ZINC000122412638 1414451226 /nfs/dbraw/zinc/45/12/26/1414451226.db2.gz UOKWWYZHAHMHTK-LBPRGKRZSA-N -1 3 393.415 3.287 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC4(CCC4)C3)nc(=O)c2c1C ZINC000122917184 1414596312 /nfs/dbraw/zinc/59/63/12/1414596312.db2.gz AAQWQWUVVXKWEF-GFCCVEGCSA-N -1 3 375.494 3.407 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC4(CCC4)C3)nc(=O)c2c1C ZINC000122917417 1414596580 /nfs/dbraw/zinc/59/65/80/1414596580.db2.gz AAQWQWUVVXKWEF-LBPRGKRZSA-N -1 3 375.494 3.407 20 0 GGADHM COCCOc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)nc2ccccc21 ZINC000123011767 1414619124 /nfs/dbraw/zinc/61/91/24/1414619124.db2.gz DGMQSUPYLJOZFH-UHFFFAOYSA-N -1 3 393.403 3.199 20 0 GGADHM CCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)[nH]1 ZINC000123036658 1414625095 /nfs/dbraw/zinc/62/50/95/1414625095.db2.gz NDPRJJPYUKIOJY-UHFFFAOYSA-N -1 3 399.476 3.037 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000123145072 1414652905 /nfs/dbraw/zinc/65/29/05/1414652905.db2.gz YCMFBUFOCAJRBT-HXUWFJFHSA-N -1 3 394.427 3.320 20 0 GGADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc2[nH]1 ZINC000123257463 1414680421 /nfs/dbraw/zinc/68/04/21/1414680421.db2.gz OYIFTBOSKAPAEW-UHFFFAOYSA-N -1 3 398.488 3.225 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C2CC2)C(F)(F)F)ccc1F ZINC000123277916 1414685523 /nfs/dbraw/zinc/68/55/23/1414685523.db2.gz DRSVOLRJWRLMPS-CYBMUJFWSA-N -1 3 397.390 3.400 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000123399874 1414717303 /nfs/dbraw/zinc/71/73/03/1414717303.db2.gz KNTQIQRUEAPDGU-APWZRJJASA-N -1 3 386.448 3.452 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccccc2F)sc1Br ZINC000123673340 1414807120 /nfs/dbraw/zinc/80/71/20/1414807120.db2.gz IWCWWXHQIMLZNF-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM Cc1cncc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000123718383 1414814422 /nfs/dbraw/zinc/81/44/22/1414814422.db2.gz LHNBMJAUEVXQON-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)ccc1N(C)C ZINC000123773855 1414822551 /nfs/dbraw/zinc/82/25/51/1414822551.db2.gz OYJCVZDIQKYJAN-UHFFFAOYSA-N -1 3 393.484 3.139 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccsc3C2)ccc1F ZINC000123804214 1414827197 /nfs/dbraw/zinc/82/71/97/1414827197.db2.gz HNZWLKIXFAWYNR-UHFFFAOYSA-N -1 3 396.509 3.163 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)c1F ZINC000177715635 1428840793 /nfs/dbraw/zinc/84/07/93/1428840793.db2.gz AQALNMCGQWKNSF-HNNXBMFYSA-N -1 3 395.427 3.051 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c(=O)[n-]1 ZINC000123852584 1414835719 /nfs/dbraw/zinc/83/57/19/1414835719.db2.gz VLWJVMHZIKKFTH-UHFFFAOYSA-N -1 3 382.386 3.043 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000123858127 1414836777 /nfs/dbraw/zinc/83/67/77/1414836777.db2.gz GXYDVAMENJTNIX-BMIGLBTASA-N -1 3 375.824 3.409 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)c1F ZINC000177715650 1428841094 /nfs/dbraw/zinc/84/10/94/1428841094.db2.gz AQALNMCGQWKNSF-OAHLLOKOSA-N -1 3 395.427 3.051 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000123887602 1414843477 /nfs/dbraw/zinc/84/34/77/1414843477.db2.gz DJXXAGPRGQXWDA-QMTHXVAHSA-N -1 3 375.824 3.409 20 0 GGADHM COc1ccc2oc(C)c(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2c1 ZINC000123953467 1414856674 /nfs/dbraw/zinc/85/66/74/1414856674.db2.gz NMWXCCBZFPULPP-UHFFFAOYSA-N -1 3 394.427 3.054 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2c(C)nn(C)c2C)oc1-c1ccc(Cl)cc1 ZINC000123966355 1414858874 /nfs/dbraw/zinc/85/88/74/1414858874.db2.gz WBVLKLDQYGDGSQ-UHFFFAOYSA-N -1 3 394.884 3.132 20 0 GGADHM Cn1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c(-c2cccnc2)n1 ZINC000124033505 1414873127 /nfs/dbraw/zinc/87/31/27/1414873127.db2.gz IQTWHYJOXNKUMH-UHFFFAOYSA-N -1 3 376.460 3.283 20 0 GGADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000124715249 1415028162 /nfs/dbraw/zinc/02/81/62/1415028162.db2.gz SMPPRYZBYPRNFP-WCQYABFASA-N -1 3 389.304 3.221 20 0 GGADHM COc1ccc(Cl)cc1CN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000124796900 1415046154 /nfs/dbraw/zinc/04/61/54/1415046154.db2.gz UREJESHDLMJAIO-UHFFFAOYSA-N -1 3 377.872 3.310 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c(F)cccc3NC(C)C)cc21 ZINC000124954911 1415080480 /nfs/dbraw/zinc/08/04/80/1415080480.db2.gz AADSKZGTGNYSSO-UHFFFAOYSA-N -1 3 391.468 3.356 20 0 GGADHM Clc1ccc([C@@H](NCc2cnc3c(-c4nn[n-]n4)cnn3c2)C2CCC2)cc1 ZINC000737571272 1428868239 /nfs/dbraw/zinc/86/82/39/1428868239.db2.gz ZDEGGDFAEJSMLG-KRWDZBQOSA-N -1 3 394.870 3.194 20 0 GGADHM Clc1ccc([C@@H](NCc2cnc3c(-c4nnn[n-]4)cnn3c2)C2CCC2)cc1 ZINC000737571272 1428868244 /nfs/dbraw/zinc/86/82/44/1428868244.db2.gz ZDEGGDFAEJSMLG-KRWDZBQOSA-N -1 3 394.870 3.194 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(=O)[n-]1 ZINC000125221699 1415133298 /nfs/dbraw/zinc/13/32/98/1415133298.db2.gz DLAMLWUMTVFYTG-UHFFFAOYSA-N -1 3 390.443 3.210 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ncc(-c3ccccc3)s2)CC1 ZINC000125269709 1415147858 /nfs/dbraw/zinc/14/78/58/1415147858.db2.gz IMJYQKYOURZOLF-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)n[n-]2)o1 ZINC000177820818 1428864850 /nfs/dbraw/zinc/86/48/50/1428864850.db2.gz MPMJBTCCYIUYQP-UHFFFAOYSA-N -1 3 382.449 3.418 20 0 GGADHM O=C(CCn1cnc2sccc2c1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125296319 1415156565 /nfs/dbraw/zinc/15/65/65/1415156565.db2.gz VFWXJQVPZNXUTH-UHFFFAOYSA-N -1 3 383.351 3.211 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nccn2C(F)F)CC1 ZINC000125318795 1415162249 /nfs/dbraw/zinc/16/22/49/1415162249.db2.gz ISTHQBKOSVYEDC-UHFFFAOYSA-N -1 3 384.814 3.488 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000125334837 1415168025 /nfs/dbraw/zinc/16/80/25/1415168025.db2.gz SESYSWDINIYFLI-UHFFFAOYSA-N -1 3 393.296 3.348 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1-c1nccs1 ZINC000125367838 1415177916 /nfs/dbraw/zinc/17/79/16/1415177916.db2.gz FFZCIWPNWBCUHO-UHFFFAOYSA-N -1 3 390.490 3.174 20 0 GGADHM Cc1cccc2c(=O)n(CC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cnc12 ZINC000125393538 1415186617 /nfs/dbraw/zinc/18/66/17/1415186617.db2.gz PIKFZVVMBQMGKG-UHFFFAOYSA-N -1 3 377.322 3.068 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccco2)Cc2ccco2)c([O-])c1 ZINC000125545200 1415223847 /nfs/dbraw/zinc/22/38/47/1415223847.db2.gz DRGILQKJOBMKEE-UHFFFAOYSA-N -1 3 382.416 3.236 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cc1C(F)(F)F ZINC000125546876 1415223945 /nfs/dbraw/zinc/22/39/45/1415223945.db2.gz GBCAUZYTSYMXAM-UHFFFAOYSA-N -1 3 386.351 3.146 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)c2cc(C)n(CCCOC)c2C)n1 ZINC000125592512 1415233620 /nfs/dbraw/zinc/23/36/20/1415233620.db2.gz VMNQLFRDVUZWON-UHFFFAOYSA-N -1 3 377.510 3.316 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000125648565 1415245784 /nfs/dbraw/zinc/24/57/84/1415245784.db2.gz BDUCSJNGLDRFEM-UHFFFAOYSA-N -1 3 384.404 3.132 20 0 GGADHM O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000125648985 1415246069 /nfs/dbraw/zinc/24/60/69/1415246069.db2.gz AXSUBTQQCARCBN-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000125754913 1415271550 /nfs/dbraw/zinc/27/15/50/1415271550.db2.gz XCUDVHQZTNEZRF-HNNXBMFYSA-N -1 3 385.489 3.332 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000125755129 1415271880 /nfs/dbraw/zinc/27/18/80/1415271880.db2.gz XCUDVHQZTNEZRF-OAHLLOKOSA-N -1 3 385.489 3.332 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)c(C)o1 ZINC000125796435 1415283234 /nfs/dbraw/zinc/28/32/34/1415283234.db2.gz KUWSHYYFXCEMFU-GOSISDBHSA-N -1 3 390.505 3.427 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1 ZINC000177917967 1428891000 /nfs/dbraw/zinc/89/10/00/1428891000.db2.gz HNNHVMQLRNSRMT-LBPRGKRZSA-N -1 3 395.290 3.316 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1CCC(F)(F)F ZINC000125852133 1415296998 /nfs/dbraw/zinc/29/69/98/1415296998.db2.gz YQORDHWLTUWLQE-UHFFFAOYSA-N -1 3 395.381 3.439 20 0 GGADHM Cc1cccc(-c2nnc(SCc3cc(=O)oc4c(C)c([O-])ccc34)n2N)c1 ZINC000125928059 1415315288 /nfs/dbraw/zinc/31/52/88/1415315288.db2.gz QHIJMBKSNHDDPX-UHFFFAOYSA-N -1 3 394.456 3.380 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000125951609 1415320566 /nfs/dbraw/zinc/32/05/66/1415320566.db2.gz UXDRGXPPHPVNFT-UHFFFAOYSA-N -1 3 391.924 3.366 20 0 GGADHM C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])Cc2ccccc2C(=O)O1 ZINC000126017091 1415337447 /nfs/dbraw/zinc/33/74/47/1415337447.db2.gz MMAKEVCIVGVABP-QGZVFWFLSA-N -1 3 376.206 3.265 20 0 GGADHM CC(C)(C)CCS(=O)(=O)[N-]C1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000126109926 1415360121 /nfs/dbraw/zinc/36/01/21/1415360121.db2.gz KHDIRDXXZVSMSA-OAHLLOKOSA-N -1 3 399.557 3.479 20 0 GGADHM Cc1cnc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000177935148 1428895102 /nfs/dbraw/zinc/89/51/02/1428895102.db2.gz OPNDJKHNTVYVLI-LLVKDONJSA-N -1 3 399.513 3.158 20 0 GGADHM C[C@@H](C[C@H](O)c1ccco1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126126793 1415364747 /nfs/dbraw/zinc/36/47/47/1415364747.db2.gz RQHNNRVNECLJEU-HZMBPMFUSA-N -1 3 383.242 3.059 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c(=O)[n-]1 ZINC000126133006 1415366015 /nfs/dbraw/zinc/36/60/15/1415366015.db2.gz JMQGPLIQRQXERG-UHFFFAOYSA-N -1 3 389.427 3.052 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)[N-]OC(C)(C)C)C1 ZINC000126161038 1415373324 /nfs/dbraw/zinc/37/33/24/1415373324.db2.gz ZTMHMWBUGOSUGG-ZDUSSCGKSA-N -1 3 397.313 3.456 20 0 GGADHM C[C@H](C[C@H](O)c1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126299031 1415410993 /nfs/dbraw/zinc/41/09/93/1415410993.db2.gz AUYJGNHQRJQYRI-PXAZEXFGSA-N -1 3 393.281 3.466 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2cccc(COc3ccccc3)c2)c(=O)[n-]1 ZINC000126342605 1415421579 /nfs/dbraw/zinc/42/15/79/1415421579.db2.gz SANZFQPJWLAHHD-UHFFFAOYSA-N -1 3 391.471 3.215 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1cc2ccccc2s1)c1cc(F)c(F)c(F)c1 ZINC000126379357 1415431168 /nfs/dbraw/zinc/43/11/68/1415431168.db2.gz ZDZFBNLUCJDAOR-ZDUSSCGKSA-N -1 3 387.404 3.331 20 0 GGADHM O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000826506386 1428929731 /nfs/dbraw/zinc/92/97/31/1428929731.db2.gz TZWYHQSRAIVEJU-ZFWWWQNUSA-N -1 3 395.410 3.255 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1F ZINC000126503756 1415472012 /nfs/dbraw/zinc/47/20/12/1415472012.db2.gz OTMADLJCXBWUDW-UHFFFAOYSA-N -1 3 396.415 3.073 20 0 GGADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNCc1ccc(OC2CCCC2)cc1 ZINC000738419537 1428936540 /nfs/dbraw/zinc/93/65/40/1428936540.db2.gz PBGLDEOXIBOOKJ-UHFFFAOYSA-N -1 3 389.463 3.126 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccnc(Br)c1 ZINC000178019610 1428940709 /nfs/dbraw/zinc/94/07/09/1428940709.db2.gz KBJKOEHWFIZJAS-UHFFFAOYSA-N -1 3 386.043 3.242 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c(=O)[n-]1 ZINC000126734628 1415542937 /nfs/dbraw/zinc/54/29/37/1415542937.db2.gz DOHRYYMSSKQSBV-FQEVSTJZSA-N -1 3 396.878 3.274 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c(=O)[n-]1 ZINC000126734866 1415542971 /nfs/dbraw/zinc/54/29/71/1415542971.db2.gz DOHRYYMSSKQSBV-HXUWFJFHSA-N -1 3 396.878 3.274 20 0 GGADHM CCc1cc(C#N)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)s1 ZINC000126812148 1415567813 /nfs/dbraw/zinc/56/78/13/1415567813.db2.gz OMTZWYUGFAVSRQ-UHFFFAOYSA-N -1 3 395.481 3.260 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000126865895 1415588948 /nfs/dbraw/zinc/58/89/48/1415588948.db2.gz NJWRMSPZLLXBIK-HYVNUMGLSA-N -1 3 399.493 3.305 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)s1 ZINC000126982143 1415624745 /nfs/dbraw/zinc/62/47/45/1415624745.db2.gz JKCVQYVFCJVWLI-GFCCVEGCSA-N -1 3 398.525 3.243 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000127011065 1415635278 /nfs/dbraw/zinc/63/52/78/1415635278.db2.gz ODSUPBVISYNJOJ-YOEHRIQHSA-N -1 3 381.432 3.025 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccccc3F)CC2)ccc1F ZINC000127030019 1415642801 /nfs/dbraw/zinc/64/28/01/1415642801.db2.gz PJQJOUZHDJILIP-UHFFFAOYSA-N -1 3 394.443 3.071 20 0 GGADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000127038615 1415645411 /nfs/dbraw/zinc/64/54/11/1415645411.db2.gz XXKQNBRXOLYBRC-UHFFFAOYSA-N -1 3 377.322 3.094 20 0 GGADHM C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824554509 1428971152 /nfs/dbraw/zinc/97/11/52/1428971152.db2.gz PXQKGGZSCBUIGD-KGLIPLIRSA-N -1 3 398.898 3.390 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1C ZINC000127278369 1415715170 /nfs/dbraw/zinc/71/51/70/1415715170.db2.gz PTXJGPTYSSWRNJ-UHFFFAOYSA-N -1 3 391.468 3.494 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(-n2nccn2)cc1 ZINC000178100869 1428981833 /nfs/dbraw/zinc/98/18/33/1428981833.db2.gz NOVVJDHWXIZLCD-UHFFFAOYSA-N -1 3 388.225 3.057 20 0 GGADHM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000127328545 1415739770 /nfs/dbraw/zinc/73/97/70/1415739770.db2.gz JSORXSVHUKQIOE-UHFFFAOYSA-N -1 3 386.517 3.117 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000826159133 1428984657 /nfs/dbraw/zinc/98/46/57/1428984657.db2.gz SAPJVMWTJYVJBG-UHFFFAOYSA-N -1 3 393.491 3.229 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(CN3CCOCC3)ccc2C)cc1 ZINC000127335106 1415742485 /nfs/dbraw/zinc/74/24/85/1415742485.db2.gz IIOWIRDEMYEUQR-UHFFFAOYSA-N -1 3 390.505 3.027 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C(=O)NC(C)(C)C ZINC000824533139 1428988956 /nfs/dbraw/zinc/98/89/56/1428988956.db2.gz ZEZSJKVWPNXLQW-HUUCEWRRSA-N -1 3 392.507 3.488 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C(=O)NC(C)(C)C ZINC000824533139 1428988959 /nfs/dbraw/zinc/98/89/59/1428988959.db2.gz ZEZSJKVWPNXLQW-HUUCEWRRSA-N -1 3 392.507 3.488 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178136538 1428994944 /nfs/dbraw/zinc/99/49/44/1428994944.db2.gz BMNAFAIABRJGDH-CMPLNLGQSA-N -1 3 375.277 3.179 20 0 GGADHM CC(C)n1nccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000127463574 1415789725 /nfs/dbraw/zinc/78/97/25/1415789725.db2.gz WRYLXMWMULWYQZ-UHFFFAOYSA-N -1 3 390.871 3.314 20 0 GGADHM CC[C@H](CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000127531521 1415805772 /nfs/dbraw/zinc/80/57/72/1415805772.db2.gz NWSJIXQWRMBBGI-QGZVFWFLSA-N -1 3 381.476 3.053 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)CCCC2)no1 ZINC000127637467 1415824434 /nfs/dbraw/zinc/82/44/34/1415824434.db2.gz WQQVMGLQZUBMCA-UHFFFAOYSA-N -1 3 391.493 3.447 20 0 GGADHM Cc1ccc(CC(=O)[N-]O[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000178162566 1429003557 /nfs/dbraw/zinc/00/35/57/1429003557.db2.gz NLYPGZDKPHWSSP-CYBMUJFWSA-N -1 3 378.375 3.214 20 0 GGADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000127775584 1415848185 /nfs/dbraw/zinc/84/81/85/1415848185.db2.gz NJTYHSMGEWEKEQ-IBGZPJMESA-N -1 3 389.879 3.380 20 0 GGADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCCc1cccs1 ZINC000178175462 1429007552 /nfs/dbraw/zinc/00/75/52/1429007552.db2.gz IAOOOHGTTLABRG-OAHLLOKOSA-N -1 3 382.485 3.239 20 0 GGADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCCc1ccc(F)cc1 ZINC000178175115 1429007636 /nfs/dbraw/zinc/00/76/36/1429007636.db2.gz VJCOYRCHGJWPDC-INIZCTEOSA-N -1 3 394.446 3.317 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C)cc2C[C@@H]1C ZINC000127821908 1415857035 /nfs/dbraw/zinc/85/70/35/1415857035.db2.gz IFUUERBOFJZRGM-AWEZNQCLSA-N -1 3 387.505 3.159 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000127913743 1415874782 /nfs/dbraw/zinc/87/47/82/1415874782.db2.gz JOIRCRNJTIWRPK-UHFFFAOYSA-N -1 3 388.424 3.079 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c(=O)[n-]1 ZINC000128022840 1415894990 /nfs/dbraw/zinc/89/49/90/1415894990.db2.gz JTDBWSTTWQQNAK-UHFFFAOYSA-N -1 3 389.415 3.017 20 0 GGADHM C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C1CCCCC1 ZINC000128035195 1415897657 /nfs/dbraw/zinc/89/76/57/1415897657.db2.gz KHZBMMSAUOGGPX-LLVKDONJSA-N -1 3 386.464 3.104 20 0 GGADHM C[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C1CCCCC1 ZINC000128035012 1415897679 /nfs/dbraw/zinc/89/76/79/1415897679.db2.gz KHZBMMSAUOGGPX-NSHDSACASA-N -1 3 386.464 3.104 20 0 GGADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000128037941 1415898108 /nfs/dbraw/zinc/89/81/08/1415898108.db2.gz BYOFZHMGOGAIDG-LBPRGKRZSA-N -1 3 386.473 3.476 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000128065184 1415904881 /nfs/dbraw/zinc/90/48/81/1415904881.db2.gz BFUVQPPMTXBIJR-AWEZNQCLSA-N -1 3 387.399 3.210 20 0 GGADHM Cc1ccc(C)c(SCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000128076727 1415906712 /nfs/dbraw/zinc/90/67/12/1415906712.db2.gz HAECNDXEZRLCPO-UHFFFAOYSA-N -1 3 384.501 3.086 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000128080470 1415907192 /nfs/dbraw/zinc/90/71/92/1415907192.db2.gz PYPUPHFTCYHUQV-QZTJIDSGSA-N -1 3 384.863 3.134 20 0 GGADHM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128089307 1415910257 /nfs/dbraw/zinc/91/02/57/1415910257.db2.gz OFXXXQUEBOUEJT-UHFFFAOYSA-N -1 3 383.835 3.125 20 0 GGADHM O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000128107685 1415914334 /nfs/dbraw/zinc/91/43/34/1415914334.db2.gz QYNYQICAWGVTGY-LBPRGKRZSA-N -1 3 389.824 3.160 20 0 GGADHM COc1ccc2c(C)c(CCC(=O)Nc3n[n-]c(-c4ccco4)n3)c(=O)oc2c1 ZINC000128110605 1415914786 /nfs/dbraw/zinc/91/47/86/1415914786.db2.gz ZMLWHYAPKUTARN-UHFFFAOYSA-N -1 3 394.387 3.059 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000128216932 1415942082 /nfs/dbraw/zinc/94/20/82/1415942082.db2.gz AWZMIUNZWNPBQV-MRXNPFEDSA-N -1 3 380.375 3.330 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000128342208 1415967077 /nfs/dbraw/zinc/96/70/77/1415967077.db2.gz RSPRMUNDDYAVIL-UHFFFAOYSA-N -1 3 375.381 3.105 20 0 GGADHM C[C@H](NC(=O)NN=c1ccc(Cl)n[n-]1)c1ccc(OCc2cccnc2)cc1 ZINC000128356250 1415969915 /nfs/dbraw/zinc/96/99/15/1415969915.db2.gz LMNCBHDSFJBKSJ-ZDUSSCGKSA-N -1 3 398.854 3.491 20 0 GGADHM O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)Nc1cccc([O-])c1F ZINC000128360187 1415970656 /nfs/dbraw/zinc/97/06/56/1415970656.db2.gz LMPFIGOAHZWCDP-UHFFFAOYSA-N -1 3 391.342 3.049 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)c(=O)[n-]1 ZINC000128582935 1416018425 /nfs/dbraw/zinc/01/84/25/1416018425.db2.gz NYBSXXQJKQDXHL-UHFFFAOYSA-N -1 3 385.464 3.222 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(N2CCCC2)c1 ZINC000128609152 1416024484 /nfs/dbraw/zinc/02/44/84/1416024484.db2.gz KIRPTLXAOOMNJP-ZDUSSCGKSA-N -1 3 378.432 3.053 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)Nc2cccc([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000128702446 1416046894 /nfs/dbraw/zinc/04/68/94/1416046894.db2.gz RPHNTLDUEHAOLT-QGHHPUGFSA-N -1 3 380.778 3.482 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000128750151 1416057878 /nfs/dbraw/zinc/05/78/78/1416057878.db2.gz CMPQLIXBDGFHAK-LIRRHRJNSA-N -1 3 390.411 3.200 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000128749934 1416058173 /nfs/dbraw/zinc/05/81/73/1416058173.db2.gz CMPQLIXBDGFHAK-AUUYWEPGSA-N -1 3 390.411 3.200 20 0 GGADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc([O-])c3F)s2)CC1 ZINC000128838013 1416082318 /nfs/dbraw/zinc/08/23/18/1416082318.db2.gz PKZGATVVCWYNSF-UHFFFAOYSA-N -1 3 398.481 3.266 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(Cc3cccc4ccccc43)n2N)n1 ZINC000178358525 1429060348 /nfs/dbraw/zinc/06/03/48/1429060348.db2.gz AIWJSZRJRBKAFL-ZDUSSCGKSA-N -1 3 392.488 3.393 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCc3cc(OC)ccc3OC)nc2)n1 ZINC000128972547 1416116539 /nfs/dbraw/zinc/11/65/39/1416116539.db2.gz NYNAZZGARARZMN-UHFFFAOYSA-N -1 3 394.475 3.456 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821614727 1429061942 /nfs/dbraw/zinc/06/19/42/1429061942.db2.gz SGQQVXCCSJHSRO-INIZCTEOSA-N -1 3 377.370 3.051 20 0 GGADHM CC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(F)cc1F ZINC000129130839 1416152400 /nfs/dbraw/zinc/15/24/00/1416152400.db2.gz BUAIHHNGDONOCB-GOSISDBHSA-N -1 3 398.413 3.229 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c1 ZINC000178403292 1429070861 /nfs/dbraw/zinc/07/08/61/1429070861.db2.gz OQSVWARASFQKNP-UHFFFAOYSA-N -1 3 390.505 3.409 20 0 GGADHM Cc1ccc(NC(=O)c2cnsn2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000129216344 1416172924 /nfs/dbraw/zinc/17/29/24/1416172924.db2.gz MILLTVUXLNPAJX-UHFFFAOYSA-N -1 3 392.437 3.039 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000129231009 1416175768 /nfs/dbraw/zinc/17/57/68/1416175768.db2.gz BCYLAWXKAHCRIQ-UHFFFAOYSA-N -1 3 398.843 3.222 20 0 GGADHM Cc1ccc(-c2noc(CCC(=O)Nc3n[n-]c(-c4ccco4)n3)n2)cc1F ZINC000129275389 1416184066 /nfs/dbraw/zinc/18/40/66/1416184066.db2.gz TVTLSFWFLABDFL-UHFFFAOYSA-N -1 3 382.355 3.134 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000129307907 1416188572 /nfs/dbraw/zinc/18/85/72/1416188572.db2.gz NFXWAHPAUAWFNL-CYBMUJFWSA-N -1 3 392.452 3.032 20 0 GGADHM O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000129313929 1416189606 /nfs/dbraw/zinc/18/96/06/1416189606.db2.gz LUVUHJCCNWWCET-UHFFFAOYSA-N -1 3 386.423 3.178 20 0 GGADHM Cc1nc(C)c(CC(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)c(=O)[n-]1 ZINC000129316329 1416189993 /nfs/dbraw/zinc/18/99/93/1416189993.db2.gz PAUWYOANANCFGC-UHFFFAOYSA-N -1 3 381.520 3.465 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)(C)CO)c(F)cc1F ZINC000129339876 1416193606 /nfs/dbraw/zinc/19/36/06/1416193606.db2.gz FZHXXMQDLKQNMZ-OAHLLOKOSA-N -1 3 383.460 3.354 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)Nc2cccc([O-])c2F)c(Cl)cc1Cl ZINC000129385597 1416200562 /nfs/dbraw/zinc/20/05/62/1416200562.db2.gz YHDNZXRTWKGBCE-UHFFFAOYSA-N -1 3 378.208 3.494 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3Cc4cc(F)ccc4O3)c2)n1 ZINC000129397839 1416203011 /nfs/dbraw/zinc/20/30/11/1416203011.db2.gz ULUUPOPMPXILLN-GOSISDBHSA-N -1 3 379.391 3.081 20 0 GGADHM CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cccc([O-])c1F ZINC000129436013 1416209080 /nfs/dbraw/zinc/20/90/80/1416209080.db2.gz MKFGOBGHZFCYPH-HNNXBMFYSA-N -1 3 376.453 3.330 20 0 GGADHM Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cccc([O-])c1F ZINC000129462858 1416213741 /nfs/dbraw/zinc/21/37/41/1416213741.db2.gz DTFIVKSBOFFWNZ-UHFFFAOYSA-N -1 3 397.332 3.176 20 0 GGADHM CC(C)S(=O)(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129495533 1416218417 /nfs/dbraw/zinc/21/84/17/1416218417.db2.gz CSRYEXVGJYGORX-UHFFFAOYSA-N -1 3 390.486 3.431 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000129504611 1416219662 /nfs/dbraw/zinc/21/96/62/1416219662.db2.gz SDLMRDKNONNUNU-QFBILLFUSA-N -1 3 376.403 3.468 20 0 GGADHM CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000825318963 1429078883 /nfs/dbraw/zinc/07/88/83/1429078883.db2.gz UXGPCBKEHOBFGB-UHFFFAOYSA-N -1 3 391.431 3.091 20 0 GGADHM CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000825318963 1429078887 /nfs/dbraw/zinc/07/88/87/1429078887.db2.gz UXGPCBKEHOBFGB-UHFFFAOYSA-N -1 3 391.431 3.091 20 0 GGADHM COc1ccccc1OCc1ccc(C(=O)[N-]c2nc3ccc(F)cn3n2)o1 ZINC000129763974 1416260097 /nfs/dbraw/zinc/26/00/97/1416260097.db2.gz NLUGNQZJLDFUKK-UHFFFAOYSA-N -1 3 382.351 3.301 20 0 GGADHM CCCc1nc(C(=O)[N-]c2nc3ccc(F)cn3n2)nn1-c1ccccc1Cl ZINC000129768077 1416260428 /nfs/dbraw/zinc/26/04/28/1416260428.db2.gz FSRCAMLHRLQVHG-UHFFFAOYSA-N -1 3 399.817 3.307 20 0 GGADHM Cc1cccc(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1Cl ZINC000129840378 1416272177 /nfs/dbraw/zinc/27/21/77/1416272177.db2.gz PJMJPFLWZUCHHE-FQEVSTJZSA-N -1 3 385.851 3.237 20 0 GGADHM Cc1cccc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1Cl ZINC000129840179 1416272379 /nfs/dbraw/zinc/27/23/79/1416272379.db2.gz PJMJPFLWZUCHHE-HXUWFJFHSA-N -1 3 385.851 3.237 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3([C@H](O)c4ccccc4)CC3)nc2)n1 ZINC000129918877 1416285151 /nfs/dbraw/zinc/28/51/51/1416285151.db2.gz DPNVAPZKYPICEG-HXUWFJFHSA-N -1 3 376.460 3.320 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4ccc(C)c(C)c4)CC3)nc2)n1 ZINC000129957649 1416290790 /nfs/dbraw/zinc/29/07/90/1416290790.db2.gz TYBIVSYXTYNOGF-UHFFFAOYSA-N -1 3 389.503 3.338 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000130013380 1416302595 /nfs/dbraw/zinc/30/25/95/1416302595.db2.gz CEQFYNXASSDTFC-UHFFFAOYSA-N -1 3 384.329 3.281 20 0 GGADHM O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc([O-])cc1F ZINC000130039746 1416306855 /nfs/dbraw/zinc/30/68/55/1416306855.db2.gz DEBIIHYUUBZOGH-CQSZACIVSA-N -1 3 380.301 3.188 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529466 1429085896 /nfs/dbraw/zinc/08/58/96/1429085896.db2.gz GMKFKPUXRBABLR-VXGBXAGGSA-N -1 3 380.427 3.302 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529466 1429085901 /nfs/dbraw/zinc/08/59/01/1429085901.db2.gz GMKFKPUXRBABLR-VXGBXAGGSA-N -1 3 380.427 3.302 20 0 GGADHM CC[C@H](c1ccncc1)N(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000130101166 1416317942 /nfs/dbraw/zinc/31/79/42/1416317942.db2.gz MYYOHYLJRJBJQQ-CYBMUJFWSA-N -1 3 386.477 3.058 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1Br ZINC000130136078 1416324845 /nfs/dbraw/zinc/32/48/45/1416324845.db2.gz XKYIKZZYRMTZHE-KGLIPLIRSA-N -1 3 395.203 3.292 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC2(c3ccc(F)cc3F)CCCC2)c(=O)[n-]1 ZINC000130197271 1416337141 /nfs/dbraw/zinc/33/71/41/1416337141.db2.gz HWBXWSUWQNVHLV-UHFFFAOYSA-N -1 3 375.419 3.183 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC000130205231 1416339349 /nfs/dbraw/zinc/33/93/49/1416339349.db2.gz IGYUYUVGYFXAON-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM CCCc1[nH]ncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000130302797 1416354464 /nfs/dbraw/zinc/35/44/64/1416354464.db2.gz PBUKPCPCVKRBKB-UHFFFAOYSA-N -1 3 384.461 3.415 20 0 GGADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C1CCC1 ZINC000130346741 1416362149 /nfs/dbraw/zinc/36/21/49/1416362149.db2.gz AXLSCQLGDCXVHT-SECBINFHSA-N -1 3 391.320 3.353 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000130500585 1416389388 /nfs/dbraw/zinc/38/93/88/1416389388.db2.gz RGGUYXJULVIWBO-CYBMUJFWSA-N -1 3 394.393 3.136 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ncccc3c2)ccc1F ZINC000130518949 1416392568 /nfs/dbraw/zinc/39/25/68/1416392568.db2.gz RLFMWHOFQJKNIG-UHFFFAOYSA-N -1 3 387.436 3.313 20 0 GGADHM CCCCCNC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178510892 1429094012 /nfs/dbraw/zinc/09/40/12/1429094012.db2.gz PEANUUCTPCPOCO-UHFFFAOYSA-N -1 3 381.904 3.003 20 0 GGADHM COc1cccc2c(N3CCN(C(=O)c4ccccc4[O-])CC3)cc(C)nc12 ZINC000130796019 1416453571 /nfs/dbraw/zinc/45/35/71/1416453571.db2.gz VGBOGCPLUIBPMO-UHFFFAOYSA-N -1 3 377.444 3.220 20 0 GGADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000130920079 1416481432 /nfs/dbraw/zinc/48/14/32/1416481432.db2.gz OHGPDTHTPXLWKO-QGZVFWFLSA-N -1 3 391.899 3.495 20 0 GGADHM Cc1ccccc1-c1noc([C@@H](C)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000130986395 1416491844 /nfs/dbraw/zinc/49/18/44/1416491844.db2.gz DCESCJZXGCZMBT-MRXNPFEDSA-N -1 3 392.459 3.270 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000131012682 1416496060 /nfs/dbraw/zinc/49/60/60/1416496060.db2.gz XRNCKHYNFAUHDN-UHFFFAOYSA-N -1 3 381.407 3.144 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(Cc3ccccc3)n2)CC1 ZINC000131026279 1416497920 /nfs/dbraw/zinc/49/79/20/1416497920.db2.gz QKOKKTYGPCRCOJ-UHFFFAOYSA-N -1 3 393.512 3.398 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc(OCc3cccc(F)c3)c2)c(=O)[n-]1 ZINC000131198649 1416522712 /nfs/dbraw/zinc/52/27/12/1416522712.db2.gz MFEIMXJEZRSNJU-UHFFFAOYSA-N -1 3 381.407 3.286 20 0 GGADHM CCCOc1cc(F)ccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000131225738 1416526053 /nfs/dbraw/zinc/52/60/53/1416526053.db2.gz PRZCHPOEKZEOEF-UHFFFAOYSA-N -1 3 396.422 3.249 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC)cc2)cc1 ZINC000131253935 1416530555 /nfs/dbraw/zinc/53/05/55/1416530555.db2.gz VXBRWFKGUOWDGM-UHFFFAOYSA-N -1 3 390.505 3.345 20 0 GGADHM CCCOc1cc(F)ccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000131339923 1416542455 /nfs/dbraw/zinc/54/24/55/1416542455.db2.gz GYWMVSKGGSYCPM-UHFFFAOYSA-N -1 3 396.422 3.249 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(CC)cc2)ccc1OC ZINC000131584314 1416580141 /nfs/dbraw/zinc/58/01/41/1416580141.db2.gz NPCQZTYERTYKBA-UHFFFAOYSA-N -1 3 376.478 3.085 20 0 GGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cn(CCC(C)C)nn3)s2)c1 ZINC000131718885 1416604241 /nfs/dbraw/zinc/60/42/41/1416604241.db2.gz NFYQRMCUFLWGDP-UHFFFAOYSA-N -1 3 386.481 3.027 20 0 GGADHM Cc1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1OCC(F)(F)F ZINC000131811379 1416626718 /nfs/dbraw/zinc/62/67/18/1416626718.db2.gz MXJWETVGGASGHT-UHFFFAOYSA-N -1 3 378.306 3.072 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)c[n-]c12 ZINC000131948321 1416657261 /nfs/dbraw/zinc/65/72/61/1416657261.db2.gz BIBQJJKKTKCLOP-UHFFFAOYSA-N -1 3 399.397 3.204 20 0 GGADHM COc1cccc(Oc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)c1 ZINC000132039268 1416680120 /nfs/dbraw/zinc/68/01/20/1416680120.db2.gz WPCWAHJCJYOPEM-UHFFFAOYSA-N -1 3 379.416 3.369 20 0 GGADHM CCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000132038869 1416680350 /nfs/dbraw/zinc/68/03/50/1416680350.db2.gz KCJZRSQBDCWWBZ-OALUTQOASA-N -1 3 389.540 3.296 20 0 GGADHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000132098396 1416695733 /nfs/dbraw/zinc/69/57/33/1416695733.db2.gz YPPYZANOTJKGHR-SWLSCSKDSA-N -1 3 396.534 3.378 20 0 GGADHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000132098198 1416695739 /nfs/dbraw/zinc/69/57/39/1416695739.db2.gz YPPYZANOTJKGHR-DOMZBBRYSA-N -1 3 396.534 3.378 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1ccnc(Cl)c1I ZINC000132133491 1416704142 /nfs/dbraw/zinc/70/41/42/1416704142.db2.gz ZGQYBDBMCBOCFE-UHFFFAOYSA-N -1 3 392.555 3.437 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000132167987 1416710893 /nfs/dbraw/zinc/71/08/93/1416710893.db2.gz OZSFUFZIMFTELO-FQEVSTJZSA-N -1 3 381.863 3.488 20 0 GGADHM CC[C@H](C)NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000132199970 1416716033 /nfs/dbraw/zinc/71/60/33/1416716033.db2.gz JEHHCHMDFXKEMP-HNNXBMFYSA-N -1 3 396.534 3.014 20 0 GGADHM CCCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000132440794 1416760965 /nfs/dbraw/zinc/76/09/65/1416760965.db2.gz DSSNXDCVNRLQLY-UHFFFAOYSA-N -1 3 380.441 3.300 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCN(c2ccccc2F)C1=O ZINC000132482597 1416770329 /nfs/dbraw/zinc/77/03/29/1416770329.db2.gz WWBPHPUUWHIQPG-HNNXBMFYSA-N -1 3 392.377 3.238 20 0 GGADHM CCc1cccc2c(C3CCN(C(=O)Cc4c(C)nc(C)[n-]c4=O)CC3)c[nH]c21 ZINC000132568425 1416785993 /nfs/dbraw/zinc/78/59/93/1416785993.db2.gz MDPYPNKFAJXASJ-UHFFFAOYSA-N -1 3 392.503 3.379 20 0 GGADHM COc1cc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc(OC)c1[O-] ZINC000132580030 1416787887 /nfs/dbraw/zinc/78/78/87/1416787887.db2.gz UHGZETWCRSIPOK-LJQANCHMSA-N -1 3 382.391 3.463 20 0 GGADHM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3cc(C)ccc3F)c2=O)cc1 ZINC000132697096 1416805026 /nfs/dbraw/zinc/80/50/26/1416805026.db2.gz BVPNXLQZLIMIIW-UHFFFAOYSA-N -1 3 386.448 3.453 20 0 GGADHM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)c2=O)cc1 ZINC000132698351 1416805042 /nfs/dbraw/zinc/80/50/42/1416805042.db2.gz ZTZOCZOLLNBZGY-UHFFFAOYSA-N -1 3 390.411 3.284 20 0 GGADHM CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])c2ccccc2O1 ZINC000132703734 1416805734 /nfs/dbraw/zinc/80/57/34/1416805734.db2.gz XRQXCPKHJAVSLJ-FQEVSTJZSA-N -1 3 382.460 3.413 20 0 GGADHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000178669715 1429134102 /nfs/dbraw/zinc/13/41/02/1429134102.db2.gz GZOQDNBGQJQUGO-CQSZACIVSA-N -1 3 376.261 3.014 20 0 GGADHM CN1C(=O)C[C@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1cccc(Cl)c1 ZINC000132733435 1416809392 /nfs/dbraw/zinc/80/93/92/1416809392.db2.gz DVALDGPQTDXDQE-KSSFIOAISA-N -1 3 376.815 3.021 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000132767202 1416812575 /nfs/dbraw/zinc/81/25/75/1416812575.db2.gz YRSQZHZMIWZTDU-UHFFFAOYSA-N -1 3 387.361 3.414 20 0 GGADHM Fc1cccc(C2(NCn3[n-]c(-c4ccccn4)nc3=S)CCOCC2)c1 ZINC000132818271 1416818917 /nfs/dbraw/zinc/81/89/17/1416818917.db2.gz BPKJCYAUVSLPSD-UHFFFAOYSA-N -1 3 385.468 3.395 20 0 GGADHM O=C(NCc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1)c1cccs1 ZINC000132848765 1416823025 /nfs/dbraw/zinc/82/30/25/1416823025.db2.gz QGYUDTUNYBDFJN-UHFFFAOYSA-N -1 3 393.428 3.309 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3CC3(C)C)c2)cc1 ZINC000132857549 1416823727 /nfs/dbraw/zinc/82/37/27/1416823727.db2.gz ZHDUQJYAQSDZTK-GOSISDBHSA-N -1 3 388.489 3.158 20 0 GGADHM O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ncccc1[O-] ZINC000132860686 1416824464 /nfs/dbraw/zinc/82/44/64/1416824464.db2.gz VNIXTEJDPORDNX-UHFFFAOYSA-N -1 3 393.428 3.359 20 0 GGADHM CCCc1nc(C(=O)[N-]c2nc3ccccn3n2)nn1-c1ccccc1Cl ZINC000132896579 1416828211 /nfs/dbraw/zinc/82/82/11/1416828211.db2.gz ZCLUDSXDPHLLMC-UHFFFAOYSA-N -1 3 381.827 3.168 20 0 GGADHM CCn1c(SCC(=O)NCc2ccc([O-])c(F)c2)nnc1-c1cccs1 ZINC000132923326 1416831573 /nfs/dbraw/zinc/83/15/73/1416831573.db2.gz AWUOVTYWWUSLNZ-UHFFFAOYSA-N -1 3 392.481 3.280 20 0 GGADHM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132931096 1416832720 /nfs/dbraw/zinc/83/27/20/1416832720.db2.gz OFZREOGWHUUYSF-KRWDZBQOSA-N -1 3 378.831 3.256 20 0 GGADHM O=C(CCc1ccccc1)N1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000133049911 1416845967 /nfs/dbraw/zinc/84/59/67/1416845967.db2.gz ZJTBHZUGXZXISW-UHFFFAOYSA-N -1 3 384.451 3.019 20 0 GGADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC000133174186 1416860775 /nfs/dbraw/zinc/86/07/75/1416860775.db2.gz AMPUPQSRMCUKCY-UHFFFAOYSA-N -1 3 384.411 3.138 20 0 GGADHM O=C(c1cc2ccccc2c(Cl)n1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000178677390 1429138259 /nfs/dbraw/zinc/13/82/59/1429138259.db2.gz BPZUXXMEHBKTNA-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM C[C@@H]1CN(c2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)C[C@@H](C)O1 ZINC000133254636 1416871081 /nfs/dbraw/zinc/87/10/81/1416871081.db2.gz DQVQANVVZAGRLR-SEWSTDIBSA-N -1 3 377.444 3.023 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000133271919 1416872800 /nfs/dbraw/zinc/87/28/00/1416872800.db2.gz LZKXQVCKYHEYRV-GASCZTMLSA-N -1 3 388.489 3.304 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000133291081 1416875230 /nfs/dbraw/zinc/87/52/30/1416875230.db2.gz VQCRLQJFXGYLHP-OAHLLOKOSA-N -1 3 394.805 3.362 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000133291308 1416875239 /nfs/dbraw/zinc/87/52/39/1416875239.db2.gz VQCRLQJFXGYLHP-HNNXBMFYSA-N -1 3 394.805 3.362 20 0 GGADHM CO[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1Cl ZINC000133425591 1416888667 /nfs/dbraw/zinc/88/86/67/1416888667.db2.gz OEXBGTBXCNWVKM-CQSZACIVSA-N -1 3 377.872 3.147 20 0 GGADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)nn1C ZINC000133713165 1416949628 /nfs/dbraw/zinc/94/96/28/1416949628.db2.gz ONYXVFZVYMNBLP-UHFFFAOYSA-N -1 3 398.488 3.398 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc2ccccc2c1 ZINC000133842067 1416974835 /nfs/dbraw/zinc/97/48/35/1416974835.db2.gz ZEINKMPKIPFSAD-UHFFFAOYSA-N -1 3 380.878 3.472 20 0 GGADHM C[C@H](N[C@H](CO)c1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824529829 1429150409 /nfs/dbraw/zinc/15/04/09/1429150409.db2.gz HTDOEVFRRWVPBC-MEDUHNTESA-N -1 3 388.269 3.013 20 0 GGADHM C[C@H](N[C@H](CO)c1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824529829 1429150413 /nfs/dbraw/zinc/15/04/13/1429150413.db2.gz HTDOEVFRRWVPBC-MEDUHNTESA-N -1 3 388.269 3.013 20 0 GGADHM Cn1c2ccccc2n(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1=O ZINC000134101729 1417022352 /nfs/dbraw/zinc/02/23/52/1417022352.db2.gz HWMWZOQUZSWTHO-UHFFFAOYSA-N -1 3 379.338 3.093 20 0 GGADHM O=C(CSc1nnnn1C1CCCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134101299 1417022382 /nfs/dbraw/zinc/02/23/82/1417022382.db2.gz VEZBNTRVLPXTRM-UHFFFAOYSA-N -1 3 387.387 3.243 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000134119075 1417024976 /nfs/dbraw/zinc/02/49/76/1417024976.db2.gz WQMLDKGHCPBPPR-UHFFFAOYSA-N -1 3 377.322 3.253 20 0 GGADHM O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000134126736 1417026046 /nfs/dbraw/zinc/02/60/46/1417026046.db2.gz XFCANLYRUBGJKI-AWEZNQCLSA-N -1 3 394.349 3.360 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000134176086 1417033830 /nfs/dbraw/zinc/03/38/30/1417033830.db2.gz QYKIEFJEPKXYCL-ZDUSSCGKSA-N -1 3 393.365 3.297 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000134217355 1417039044 /nfs/dbraw/zinc/03/90/44/1417039044.db2.gz IZSVBBKYGYUIBS-ZDUSSCGKSA-N -1 3 378.350 3.398 20 0 GGADHM O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134217957 1417039473 /nfs/dbraw/zinc/03/94/73/1417039473.db2.gz VHXPHKOKUHMGNN-UHFFFAOYSA-N -1 3 377.322 3.261 20 0 GGADHM Cc1sc2ncn(CC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c(=O)c2c1C ZINC000134223874 1417040777 /nfs/dbraw/zinc/04/07/77/1417040777.db2.gz MQLMIEOHAYEUKL-UHFFFAOYSA-N -1 3 397.378 3.438 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(=O)[n-]1 ZINC000134247926 1417044159 /nfs/dbraw/zinc/04/41/59/1417044159.db2.gz LTTYTCQWLVYJQI-UHFFFAOYSA-N -1 3 389.868 3.130 20 0 GGADHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1nnc2ccccc2c1[O-] ZINC000134270508 1417047684 /nfs/dbraw/zinc/04/76/84/1417047684.db2.gz COYNSVOCECXUQK-UHFFFAOYSA-N -1 3 383.820 3.347 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2c(F)cccc2F)cc1OC ZINC000134344326 1417058001 /nfs/dbraw/zinc/05/80/01/1417058001.db2.gz PZPOOUNBEOOBJH-NSHDSACASA-N -1 3 398.431 3.477 20 0 GGADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1 ZINC000134455877 1417070585 /nfs/dbraw/zinc/07/05/85/1417070585.db2.gz HOCPHNRRRZEVGD-NSHDSACASA-N -1 3 394.880 3.447 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1OC ZINC000134468013 1417073565 /nfs/dbraw/zinc/07/35/65/1417073565.db2.gz VIILMBAOIDNCPA-UHFFFAOYSA-N -1 3 391.424 3.138 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000134537776 1417084030 /nfs/dbraw/zinc/08/40/30/1417084030.db2.gz XVCFYVVDIKKSNJ-LBPRGKRZSA-N -1 3 387.440 3.040 20 0 GGADHM CCc1cc2c(CN3CCN([C@H](C)C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000178740231 1429158546 /nfs/dbraw/zinc/15/85/46/1429158546.db2.gz IMBSVNQDBIRQAT-GFCCVEGCSA-N -1 3 384.398 3.129 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1OC ZINC000134649128 1417105320 /nfs/dbraw/zinc/10/53/20/1417105320.db2.gz DIIZFFMODITZEM-UHFFFAOYSA-N -1 3 392.452 3.266 20 0 GGADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc(Cl)cn1 ZINC000134735020 1417118783 /nfs/dbraw/zinc/11/87/83/1417118783.db2.gz PBUCEJPOBKENJU-UHFFFAOYSA-N -1 3 399.875 3.228 20 0 GGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000178749177 1429160351 /nfs/dbraw/zinc/16/03/51/1429160351.db2.gz HSNVEUYCILUQCP-OAHLLOKOSA-N -1 3 399.413 3.181 20 0 GGADHM CC(C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(F)c1 ZINC000134922244 1417146163 /nfs/dbraw/zinc/14/61/63/1417146163.db2.gz WTTYJPUXBKCTGO-UHFFFAOYSA-N -1 3 394.443 3.071 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(C(=O)OC)c3)CC2)c1 ZINC000135010464 1417160535 /nfs/dbraw/zinc/16/05/35/1417160535.db2.gz WMYHGZYUUXVTER-UHFFFAOYSA-N -1 3 382.460 3.458 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)c(F)c2)c(F)cc1F ZINC000135013552 1417161086 /nfs/dbraw/zinc/16/10/86/1417161086.db2.gz LDBLVMSVWFXMKJ-AWEZNQCLSA-N -1 3 379.787 3.078 20 0 GGADHM O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1[O-] ZINC000135142473 1417177355 /nfs/dbraw/zinc/17/73/55/1417177355.db2.gz RJHRRRLXQPNCJK-UHFFFAOYSA-N -1 3 387.867 3.113 20 0 GGADHM COC(=O)Cc1nnc(NC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)[n-]1 ZINC000135163811 1417180065 /nfs/dbraw/zinc/18/00/65/1417180065.db2.gz XFMFGWAGPZKKIS-UHFFFAOYSA-N -1 3 396.472 3.335 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)n[n-]1 ZINC000135163811 1417180067 /nfs/dbraw/zinc/18/00/67/1417180067.db2.gz XFMFGWAGPZKKIS-UHFFFAOYSA-N -1 3 396.472 3.335 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3CCC(C)C)nc(=O)c2c1C ZINC000135315850 1417206778 /nfs/dbraw/zinc/20/67/78/1417206778.db2.gz LLWBSAUQEGJMCC-ZDUSSCGKSA-N -1 3 377.510 3.480 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)cc1 ZINC000135326698 1417208058 /nfs/dbraw/zinc/20/80/58/1417208058.db2.gz DWOVMKJYVHIOST-AWEZNQCLSA-N -1 3 378.519 3.434 20 0 GGADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4cnccc43)cc2)CCO1 ZINC000135327709 1417208171 /nfs/dbraw/zinc/20/81/71/1417208171.db2.gz BPWQPGFOYZSPBK-OAHLLOKOSA-N -1 3 383.473 3.261 20 0 GGADHM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)c2C)o1 ZINC000135402336 1417215172 /nfs/dbraw/zinc/21/51/72/1417215172.db2.gz GUYHZAVERSCKCY-UHFFFAOYSA-N -1 3 383.433 3.273 20 0 GGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000135513097 1417231442 /nfs/dbraw/zinc/23/14/42/1417231442.db2.gz JWYFNRURWGDZRI-UHFFFAOYSA-N -1 3 394.403 3.003 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1F ZINC000135510711 1417231459 /nfs/dbraw/zinc/23/14/59/1417231459.db2.gz ALGUGEXUICGFLE-UHFFFAOYSA-N -1 3 398.366 3.399 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000135516996 1417232093 /nfs/dbraw/zinc/23/20/93/1417232093.db2.gz RXUFUTMRHIOWRM-UHFFFAOYSA-N -1 3 395.387 3.396 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000135517633 1417232548 /nfs/dbraw/zinc/23/25/48/1417232548.db2.gz TYVSMKOMPJIGBB-UHFFFAOYSA-N -1 3 395.387 3.478 20 0 GGADHM CN(Cc1ccccc1NC(=O)c1cnn[n-]1)C(=O)c1cc2ccccc2o1 ZINC000135589622 1417241531 /nfs/dbraw/zinc/24/15/31/1417241531.db2.gz PJFSXGFUOBAHMZ-UHFFFAOYSA-N -1 3 375.388 3.075 20 0 GGADHM CN(Cc1ccccc1NC(=O)c1c[n-]nn1)C(=O)c1cc2ccccc2o1 ZINC000135589622 1417241534 /nfs/dbraw/zinc/24/15/34/1417241534.db2.gz PJFSXGFUOBAHMZ-UHFFFAOYSA-N -1 3 375.388 3.075 20 0 GGADHM CN(Cc1ccccc1NC(=O)c1cn[n-]n1)C(=O)c1cc2ccccc2o1 ZINC000135589622 1417241538 /nfs/dbraw/zinc/24/15/38/1417241538.db2.gz PJFSXGFUOBAHMZ-UHFFFAOYSA-N -1 3 375.388 3.075 20 0 GGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000135594765 1417242262 /nfs/dbraw/zinc/24/22/62/1417242262.db2.gz WWVPAEQSKAYDBM-UHFFFAOYSA-N -1 3 399.476 3.255 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000135701137 1417259404 /nfs/dbraw/zinc/25/94/04/1417259404.db2.gz XHERWARIVWGYLR-UHFFFAOYSA-N -1 3 398.484 3.498 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000136025877 1417287097 /nfs/dbraw/zinc/28/70/97/1417287097.db2.gz IANOEOFCFHIMFQ-SFHVURJKSA-N -1 3 395.286 3.190 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3cncs3)c2)cc1 ZINC000136153837 1417296182 /nfs/dbraw/zinc/29/61/82/1417296182.db2.gz RREFWHXOFLHTMF-UHFFFAOYSA-N -1 3 389.502 3.242 20 0 GGADHM O=C(Nc1cccc(Cl)c1F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136729679 1417341997 /nfs/dbraw/zinc/34/19/97/1417341997.db2.gz XUYRYVDNSVNEKO-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM COc1ccc(N(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl ZINC000137765757 1417394331 /nfs/dbraw/zinc/39/43/31/1417394331.db2.gz PSUULFVIJAAUJA-UHFFFAOYSA-N -1 3 398.850 3.008 20 0 GGADHM O=C(Nc1ncccc1[O-])C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000138471410 1417417601 /nfs/dbraw/zinc/41/76/01/1417417601.db2.gz PWKWWXIYFAACKO-UHFFFAOYSA-N -1 3 375.428 3.431 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000139000068 1417444229 /nfs/dbraw/zinc/44/42/29/1417444229.db2.gz NFSLFYKHGKHVQW-KGLIPLIRSA-N -1 3 383.514 3.405 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000138999831 1417444262 /nfs/dbraw/zinc/44/42/62/1417444262.db2.gz NFSLFYKHGKHVQW-UONOGXRCSA-N -1 3 383.514 3.405 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCC[C@H](C)C2)cc1OC ZINC000138999936 1417444270 /nfs/dbraw/zinc/44/42/70/1417444270.db2.gz NFSLFYKHGKHVQW-KBPBESRZSA-N -1 3 383.514 3.405 20 0 GGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC000140138204 1417489073 /nfs/dbraw/zinc/48/90/73/1417489073.db2.gz WPMTWCHEDCOSOY-HNNXBMFYSA-N -1 3 387.379 3.077 20 0 GGADHM COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000141276294 1417530707 /nfs/dbraw/zinc/53/07/07/1417530707.db2.gz KIXROIDYEFMDDV-UHFFFAOYSA-N -1 3 397.884 3.161 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccc(C)cc2)cc1OC ZINC000143642693 1417643567 /nfs/dbraw/zinc/64/35/67/1417643567.db2.gz BZNSRXBVLANUCD-UHFFFAOYSA-N -1 3 391.493 3.429 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCc3ccccc32)cc1OC ZINC000143834716 1417649017 /nfs/dbraw/zinc/64/90/17/1417649017.db2.gz KRJSTTVQECMIEP-UHFFFAOYSA-N -1 3 375.450 3.051 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1F ZINC000145731211 1417698132 /nfs/dbraw/zinc/69/81/32/1417698132.db2.gz ONVOEVRRMAEJIU-KGLIPLIRSA-N -1 3 377.213 3.153 20 0 GGADHM COc1cc(Br)cc(C)c1NC(=O)N[N-]C(=O)c1ccccc1F ZINC000146555290 1417723767 /nfs/dbraw/zinc/72/37/67/1417723767.db2.gz KZRPACLSEGVVOF-UHFFFAOYSA-N -1 3 396.216 3.372 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)c1 ZINC000146992727 1417736021 /nfs/dbraw/zinc/73/60/21/1417736021.db2.gz NHPFUMYZCDRNBT-AWEZNQCLSA-N -1 3 399.827 3.068 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000149664420 1417778945 /nfs/dbraw/zinc/77/89/45/1417778945.db2.gz ACLXXWLFNWAGHE-DLBZAZTESA-N -1 3 389.883 3.340 20 0 GGADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000178882266 1429209600 /nfs/dbraw/zinc/20/96/00/1429209600.db2.gz IVOPSEPMOKFSRJ-ZDUSSCGKSA-N -1 3 391.386 3.289 20 0 GGADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1OC1CCOCC1 ZINC000150761396 1417802122 /nfs/dbraw/zinc/80/21/22/1417802122.db2.gz GHUZRBSPJJYXPT-UHFFFAOYSA-N -1 3 379.416 3.042 20 0 GGADHM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150846915 1417819282 /nfs/dbraw/zinc/81/92/82/1417819282.db2.gz PBSOYLLOUOTKLC-GOSISDBHSA-N -1 3 394.537 3.368 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150847551 1417819750 /nfs/dbraw/zinc/81/97/50/1417819750.db2.gz XCQMBCZUPOQDPE-GOSISDBHSA-N -1 3 394.537 3.178 20 0 GGADHM O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000150847796 1417819852 /nfs/dbraw/zinc/81/98/52/1417819852.db2.gz VXYWYXJKNSVSOF-SFHVURJKSA-N -1 3 392.452 3.389 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150851222 1417820546 /nfs/dbraw/zinc/82/05/46/1417820546.db2.gz AQGHNEWHIBKBHW-FUHWJXTLSA-N -1 3 394.537 3.320 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150851245 1417820623 /nfs/dbraw/zinc/82/06/23/1417820623.db2.gz AQGHNEWHIBKBHW-AEFFLSMTSA-N -1 3 394.537 3.320 20 0 GGADHM O=C(c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)N1CCC2(CCCC2)CC1 ZINC000150905209 1417832002 /nfs/dbraw/zinc/83/20/02/1417832002.db2.gz IXBMHCWPKGGCID-UHFFFAOYSA-N -1 3 398.475 3.202 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n[nH]1 ZINC000150908174 1417832380 /nfs/dbraw/zinc/83/23/80/1417832380.db2.gz ZWGRPTDCCWXKPY-UHFFFAOYSA-N -1 3 398.488 3.317 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C)c(-c3ncco3)c2)c([O-])c1 ZINC000150943793 1417840951 /nfs/dbraw/zinc/84/09/51/1417840951.db2.gz LVYNSXZQABHKQW-UHFFFAOYSA-N -1 3 379.416 3.423 20 0 GGADHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1OCC1CCOCC1 ZINC000150979211 1417847872 /nfs/dbraw/zinc/84/78/72/1417847872.db2.gz QICLACYNNJRRJH-UHFFFAOYSA-N -1 3 393.443 3.289 20 0 GGADHM COC(=O)C(C)=CCN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826098421 1429224721 /nfs/dbraw/zinc/22/47/21/1429224721.db2.gz DVBNTLLTWMMGIS-ATGUSINASA-N -1 3 377.448 3.304 20 0 GGADHM COC(=O)C(C)=CCN[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826098421 1429224730 /nfs/dbraw/zinc/22/47/30/1429224730.db2.gz DVBNTLLTWMMGIS-ATGUSINASA-N -1 3 377.448 3.304 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccccc4)CCOCC3)nc21 ZINC000178945314 1429226218 /nfs/dbraw/zinc/22/62/18/1429226218.db2.gz QCOZKPAAGRWGMS-UHFFFAOYSA-N -1 3 379.416 3.036 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826369679 1429229104 /nfs/dbraw/zinc/22/91/04/1429229104.db2.gz MIABIEXHRSQWMZ-UONOGXRCSA-N -1 3 393.438 3.107 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826369679 1429229109 /nfs/dbraw/zinc/22/91/09/1429229109.db2.gz MIABIEXHRSQWMZ-UONOGXRCSA-N -1 3 393.438 3.107 20 0 GGADHM Cc1noc(-c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2)n1 ZINC000151568849 1418027146 /nfs/dbraw/zinc/02/71/46/1418027146.db2.gz DAEIVLJFJLVWBH-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C1=NO[C@@H](c2ccccc2)C1 ZINC000151573978 1418028623 /nfs/dbraw/zinc/02/86/23/1418028623.db2.gz YAGAXELBOYPRPY-MRXNPFEDSA-N -1 3 375.222 3.289 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1COC2=O)c1ncc(-c2ccccc2)o1 ZINC000151574052 1418028919 /nfs/dbraw/zinc/02/89/19/1418028919.db2.gz HDXITCICGXLCNO-GFCCVEGCSA-N -1 3 384.413 3.052 20 0 GGADHM Cc1c2ccccc2oc(=O)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151579294 1418030715 /nfs/dbraw/zinc/03/07/15/1418030715.db2.gz YAZZSMCIIIVUSL-UHFFFAOYSA-N -1 3 388.217 3.500 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)ccc1F ZINC000151677979 1418058450 /nfs/dbraw/zinc/05/84/50/1418058450.db2.gz RCFUTTWMHXBRLH-UHFFFAOYSA-N -1 3 396.488 3.076 20 0 GGADHM C[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000151718683 1418070506 /nfs/dbraw/zinc/07/05/06/1418070506.db2.gz BGWDJSGZKMVGHO-HOTGVXAUSA-N -1 3 385.489 3.445 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000151718874 1418070571 /nfs/dbraw/zinc/07/05/71/1418070571.db2.gz BGWDJSGZKMVGHO-HZPDHXFCSA-N -1 3 385.489 3.445 20 0 GGADHM C[C@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000152147872 1418157987 /nfs/dbraw/zinc/15/79/87/1418157987.db2.gz KFXHDMFXKYDMFF-LKFCYVNXSA-N -1 3 391.320 3.353 20 0 GGADHM C[C@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000152147710 1418158075 /nfs/dbraw/zinc/15/80/75/1418158075.db2.gz KFXHDMFXKYDMFF-XPTSAGLGSA-N -1 3 391.320 3.353 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737146649 1429246009 /nfs/dbraw/zinc/24/60/09/1429246009.db2.gz IOTMPYFRDYNAEN-LJQANCHMSA-N -1 3 379.464 3.481 20 0 GGADHM Cc1cc(F)ccc1-c1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1F ZINC000179055589 1429251204 /nfs/dbraw/zinc/25/12/04/1429251204.db2.gz UBYDQPQREMXYST-UHFFFAOYSA-N -1 3 381.382 3.222 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1OCCCC ZINC000179052950 1429251244 /nfs/dbraw/zinc/25/12/44/1429251244.db2.gz UJHYACVYRXPDSA-UHFFFAOYSA-N -1 3 399.491 3.326 20 0 GGADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179059340 1429252480 /nfs/dbraw/zinc/25/24/80/1429252480.db2.gz HQVOYLMYBYEJLK-UHFFFAOYSA-N -1 3 386.864 3.054 20 0 GGADHM O=C(c1ccc(N2CCCc3ccccc32)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179064132 1429253013 /nfs/dbraw/zinc/25/30/13/1429253013.db2.gz RSOSDMNUHUMXMM-UHFFFAOYSA-N -1 3 386.455 3.053 20 0 GGADHM O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179091975 1429259489 /nfs/dbraw/zinc/25/94/89/1429259489.db2.gz OFMCCRRJLJPQRY-IBGZPJMESA-N -1 3 395.846 3.128 20 0 GGADHM CCOc1cc(-c2ccccc2)sc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179093986 1429260568 /nfs/dbraw/zinc/26/05/68/1429260568.db2.gz WEGJKVHKMQLLTD-UHFFFAOYSA-N -1 3 381.457 3.096 20 0 GGADHM O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179094895 1429260715 /nfs/dbraw/zinc/26/07/15/1429260715.db2.gz VRIDWJHPUZCEFK-LJQANCHMSA-N -1 3 377.469 3.188 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000822758146 1429265843 /nfs/dbraw/zinc/26/58/43/1429265843.db2.gz KEFIJEGKKGWATK-LJQANCHMSA-N -1 3 381.455 3.230 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000822758146 1429265851 /nfs/dbraw/zinc/26/58/51/1429265851.db2.gz KEFIJEGKKGWATK-LJQANCHMSA-N -1 3 381.455 3.230 20 0 GGADHM CC(C)(C)OCc1cccc(CNCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000735640082 1429279645 /nfs/dbraw/zinc/27/96/45/1429279645.db2.gz WVBGAQPAVVOIBS-UHFFFAOYSA-N -1 3 391.479 3.119 20 0 GGADHM CC(C)(C)OCc1cccc(CNCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000735640082 1429279651 /nfs/dbraw/zinc/27/96/51/1429279651.db2.gz WVBGAQPAVVOIBS-UHFFFAOYSA-N -1 3 391.479 3.119 20 0 GGADHM O=C(Nc1cccc([O-])c1F)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000179155563 1429279675 /nfs/dbraw/zinc/27/96/75/1429279675.db2.gz DDGDKDGWABHCNE-FOWTUZBSSA-N -1 3 391.362 3.415 20 0 GGADHM COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc(OC)c1[O-] ZINC000179165209 1429283387 /nfs/dbraw/zinc/28/33/87/1429283387.db2.gz MNOCQFKBIDLFKU-OAHLLOKOSA-N -1 3 378.856 3.096 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(O[C@@H]2CCOC2)c1 ZINC000826288533 1429293545 /nfs/dbraw/zinc/29/35/45/1429293545.db2.gz LLSJKFSUPJSDMT-DNVCBOLYSA-N -1 3 379.464 3.194 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(O[C@@H]2CCOC2)c1 ZINC000826288533 1429293550 /nfs/dbraw/zinc/29/35/50/1429293550.db2.gz LLSJKFSUPJSDMT-DNVCBOLYSA-N -1 3 379.464 3.194 20 0 GGADHM O=C(c1ccccc1NCCC1=CCCCC1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179235437 1429301966 /nfs/dbraw/zinc/30/19/66/1429301966.db2.gz OMQRLOOODBMKGE-UHFFFAOYSA-N -1 3 378.476 3.271 20 0 GGADHM C[C@@](O)(CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000179273932 1429310747 /nfs/dbraw/zinc/31/07/47/1429310747.db2.gz UUFUFNAIMDVTEE-QGZVFWFLSA-N -1 3 397.244 3.001 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(C)cc21 ZINC000179275262 1429311411 /nfs/dbraw/zinc/31/14/11/1429311411.db2.gz YLSMGQQENYYVEL-MRXNPFEDSA-N -1 3 377.437 3.277 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820912957 1429333376 /nfs/dbraw/zinc/33/33/76/1429333376.db2.gz ANLOGLZORVRFTK-GOSISDBHSA-N -1 3 389.463 3.370 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820912957 1429333379 /nfs/dbraw/zinc/33/33/79/1429333379.db2.gz ANLOGLZORVRFTK-GOSISDBHSA-N -1 3 389.463 3.370 20 0 GGADHM CN1C(=O)C[C@H](C(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179361410 1429344066 /nfs/dbraw/zinc/34/40/66/1429344066.db2.gz BRIRVSSKVQATCG-KPZWWZAWSA-N -1 3 394.805 3.160 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824537234 1429356002 /nfs/dbraw/zinc/35/60/02/1429356002.db2.gz CLKGISVWHXGHAJ-JCURWCKSSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824537234 1429356007 /nfs/dbraw/zinc/35/60/07/1429356007.db2.gz CLKGISVWHXGHAJ-JCURWCKSSA-N -1 3 391.397 3.052 20 0 GGADHM NC(=O)c1ccc(F)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000179434678 1429374867 /nfs/dbraw/zinc/37/48/67/1429374867.db2.gz OONNNBXICICDRL-UHFFFAOYSA-N -1 3 380.375 3.462 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2Cc3ccccc32)c1 ZINC000179438684 1429376117 /nfs/dbraw/zinc/37/61/17/1429376117.db2.gz HFGPUEWDUPOIPJ-AWEZNQCLSA-N -1 3 377.400 3.011 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000179447453 1429379745 /nfs/dbraw/zinc/37/97/45/1429379745.db2.gz ZCBZZLSZPUQKLT-UHFFFAOYSA-N -1 3 392.415 3.141 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccccc2F)c1 ZINC000179448049 1429380594 /nfs/dbraw/zinc/38/05/94/1429380594.db2.gz RRDIKFWPMWPILX-GFCCVEGCSA-N -1 3 397.406 3.441 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccncc2)c1 ZINC000179460250 1429383629 /nfs/dbraw/zinc/38/36/29/1429383629.db2.gz BRXARXJSHLEBPL-GFCCVEGCSA-N -1 3 380.404 3.169 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc(C)c2)c1 ZINC000179467252 1429385731 /nfs/dbraw/zinc/38/57/31/1429385731.db2.gz RXNHSZHPSDKOJZ-UHFFFAOYSA-N -1 3 379.416 3.222 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2cccs2)c1 ZINC000179477099 1429387771 /nfs/dbraw/zinc/38/77/71/1429387771.db2.gz AOFYJVBCLGAMLO-LLVKDONJSA-N -1 3 385.445 3.363 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCNc2ccccc2)c1 ZINC000179489122 1429391848 /nfs/dbraw/zinc/39/18/48/1429391848.db2.gz PHTJNAIXLOBNCV-UHFFFAOYSA-N -1 3 394.431 3.173 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736235133 1429417618 /nfs/dbraw/zinc/41/76/18/1429417618.db2.gz MLOIVSJZFUAVHQ-RKVPGOIHSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736235133 1429417622 /nfs/dbraw/zinc/41/76/22/1429417622.db2.gz MLOIVSJZFUAVHQ-RKVPGOIHSA-N -1 3 376.464 3.072 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc(C)c2C)c(-c2nn[n-]n2)c1C ZINC000826296125 1429430138 /nfs/dbraw/zinc/43/01/38/1429430138.db2.gz KEAIOALPOVWEBZ-KGLIPLIRSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc(C)c2C)c(-c2nnn[n-]2)c1C ZINC000826296125 1429430140 /nfs/dbraw/zinc/43/01/40/1429430140.db2.gz KEAIOALPOVWEBZ-KGLIPLIRSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1c([O-])ccc2c(CN[C@H](CN3CCCC3=O)c3ccccc3)cc(=O)oc12 ZINC000179557730 1429430622 /nfs/dbraw/zinc/43/06/22/1429430622.db2.gz RKWMFZYSRDBIIS-LJQANCHMSA-N -1 3 392.455 3.260 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC000737244724 1429434828 /nfs/dbraw/zinc/43/48/28/1429434828.db2.gz KPRIHRLVLNVJTH-UHFFFAOYSA-N -1 3 380.296 3.200 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC000737244724 1429434830 /nfs/dbraw/zinc/43/48/30/1429434830.db2.gz KPRIHRLVLNVJTH-UHFFFAOYSA-N -1 3 380.296 3.200 20 0 GGADHM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640371 1429484991 /nfs/dbraw/zinc/48/49/91/1429484991.db2.gz JMDKNRVFVSZJFR-SFHVURJKSA-N -1 3 376.840 3.204 20 0 GGADHM CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000179647782 1429488319 /nfs/dbraw/zinc/48/83/19/1429488319.db2.gz FWQOEJCMWLLFKG-HNNXBMFYSA-N -1 3 377.391 3.277 20 0 GGADHM C=CC(=O)NCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000179653547 1429490801 /nfs/dbraw/zinc/49/08/01/1429490801.db2.gz VLESFCPFJLZEHR-UHFFFAOYSA-N -1 3 375.222 3.209 20 0 GGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179651741 1429489735 /nfs/dbraw/zinc/48/97/35/1429489735.db2.gz WSAZARNKOMUOHX-HRAATJIYSA-N -1 3 393.487 3.183 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)n1 ZINC000179713962 1429518409 /nfs/dbraw/zinc/51/84/09/1429518409.db2.gz KSTRDKFMSPSLIL-UHFFFAOYSA-N -1 3 384.827 3.455 20 0 GGADHM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000179727835 1429524813 /nfs/dbraw/zinc/52/48/13/1429524813.db2.gz UMLUMFLXZKUYMH-UHFFFAOYSA-N -1 3 376.478 3.285 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000179729269 1429526422 /nfs/dbraw/zinc/52/64/22/1429526422.db2.gz XOVDVZWROJGBBX-UHFFFAOYSA-N -1 3 385.346 3.352 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000179729269 1429526426 /nfs/dbraw/zinc/52/64/26/1429526426.db2.gz XOVDVZWROJGBBX-UHFFFAOYSA-N -1 3 385.346 3.352 20 0 GGADHM CCS(=O)(=O)c1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000152424135 1422099152 /nfs/dbraw/zinc/09/91/52/1422099152.db2.gz ZMKSODVLGQYCFW-UHFFFAOYSA-N -1 3 388.420 3.022 20 0 GGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cn(Cc2ccccc2)nn1 ZINC000152495648 1422120417 /nfs/dbraw/zinc/12/04/17/1422120417.db2.gz RYWAPEOWKXRUMI-CMDGGOBGSA-N -1 3 378.417 3.194 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)c(C)o1 ZINC000152555418 1422142985 /nfs/dbraw/zinc/14/29/85/1422142985.db2.gz WYZPUTRJMJMFMO-UHFFFAOYSA-N -1 3 396.896 3.349 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)cc1Cl ZINC000152581938 1422152019 /nfs/dbraw/zinc/15/20/19/1422152019.db2.gz RABIOAACUUSBMT-OAHLLOKOSA-N -1 3 398.843 3.158 20 0 GGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cn(Cc2cccs2)nn1 ZINC000152637343 1422182109 /nfs/dbraw/zinc/18/21/09/1422182109.db2.gz CFKZAVKPSCOTSP-AATRIKPKSA-N -1 3 384.446 3.255 20 0 GGADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000152745535 1422234252 /nfs/dbraw/zinc/23/42/52/1422234252.db2.gz TVMBRCSHZFBFHH-HIFRSBDPSA-N -1 3 398.475 3.104 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2nccc3sccc32)ccc1F ZINC000152824884 1422262522 /nfs/dbraw/zinc/26/25/22/1422262522.db2.gz MBILCWPUULOONF-UHFFFAOYSA-N -1 3 393.465 3.374 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000152842665 1422267728 /nfs/dbraw/zinc/26/77/28/1422267728.db2.gz UVRIYMXMPIRRRW-AZUAARDMSA-N -1 3 380.423 3.456 20 0 GGADHM O=C(NN=c1ccc(C(F)(F)F)n[n-]1)Nc1ccc(Br)cc1 ZINC000152987562 1422318274 /nfs/dbraw/zinc/31/82/74/1422318274.db2.gz SFLQZPIEWJTMDS-UHFFFAOYSA-N -1 3 376.136 3.407 20 0 GGADHM Cc1cccc([C@H](NC(=O)NCCNC(=O)c2ccc([O-])cc2)C(F)(F)F)c1 ZINC000153007998 1422324101 /nfs/dbraw/zinc/32/41/01/1422324101.db2.gz QXNMHYLQBMKLSV-INIZCTEOSA-N -1 3 395.381 3.033 20 0 GGADHM O=C(CCOc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000153013970 1422326099 /nfs/dbraw/zinc/32/60/99/1422326099.db2.gz SIJCIWMNESSVFS-UHFFFAOYSA-N -1 3 397.258 3.014 20 0 GGADHM O=C(CCOc1ccc(Cl)c(Cl)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000153087588 1422352592 /nfs/dbraw/zinc/35/25/92/1422352592.db2.gz OJSZQWAWWDQVLN-UHFFFAOYSA-N -1 3 397.258 3.014 20 0 GGADHM C[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000153097467 1422355190 /nfs/dbraw/zinc/35/51/90/1422355190.db2.gz GRZGLOHSDLTQQM-HRAATJIYSA-N -1 3 393.487 3.498 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000153150095 1422373360 /nfs/dbraw/zinc/37/33/60/1422373360.db2.gz HFPGZGGXJCEHSD-LBPRGKRZSA-N -1 3 398.413 3.229 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccc(O)c1 ZINC000153162087 1422377132 /nfs/dbraw/zinc/37/71/32/1422377132.db2.gz TVIRMTXEASCNGS-GFCCVEGCSA-N -1 3 394.468 3.099 20 0 GGADHM CCCOc1cc(C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000153204163 1422391920 /nfs/dbraw/zinc/39/19/20/1422391920.db2.gz CJCUIPIBVWALMN-LJQANCHMSA-N -1 3 396.487 3.410 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CCCCO2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000153229380 1422404601 /nfs/dbraw/zinc/40/46/01/1422404601.db2.gz SNIDPDWKDLXKPV-KRWDZBQOSA-N -1 3 392.452 3.443 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000153245596 1422415916 /nfs/dbraw/zinc/41/59/16/1422415916.db2.gz KRMILBMWASFFHD-UHFFFAOYSA-N -1 3 380.419 3.337 20 0 GGADHM CC1CCN(c2ccc(NC(=O)CCC(=O)[N-]OCc3cccnc3)cc2)CC1 ZINC000153258644 1422423381 /nfs/dbraw/zinc/42/33/81/1422423381.db2.gz WPWQHLPURJSNNG-UHFFFAOYSA-N -1 3 396.491 3.285 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nn1-c1cc(C)cc(C)c1 ZINC000179782388 1429560540 /nfs/dbraw/zinc/56/05/40/1429560540.db2.gz VGXCGFKDIBDOTA-UHFFFAOYSA-N -1 3 398.488 3.421 20 0 GGADHM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000153376469 1422504994 /nfs/dbraw/zinc/50/49/94/1422504994.db2.gz ARKZBOWOKXCEKA-GXTWGEPZSA-N -1 3 398.475 3.104 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCn4nc(C(C)C)nc43)nc2)n1 ZINC000153420341 1422525025 /nfs/dbraw/zinc/52/50/25/1422525025.db2.gz RHWFHWQVCNHVSF-OAHLLOKOSA-N -1 3 379.468 3.056 20 0 GGADHM c1ccc2c(c1)nccc2NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826523637 1429565164 /nfs/dbraw/zinc/56/51/64/1429565164.db2.gz SBKNNSMRVQCGRX-UHFFFAOYSA-N -1 3 387.447 3.034 20 0 GGADHM c1ccc2c(c1)nccc2NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826523637 1429565168 /nfs/dbraw/zinc/56/51/68/1429565168.db2.gz SBKNNSMRVQCGRX-UHFFFAOYSA-N -1 3 387.447 3.034 20 0 GGADHM O=C(COc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000153474884 1422557186 /nfs/dbraw/zinc/55/71/86/1422557186.db2.gz MUFHTBUMKYYCFY-AWEZNQCLSA-N -1 3 388.851 3.302 20 0 GGADHM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153473750 1422557539 /nfs/dbraw/zinc/55/75/39/1422557539.db2.gz UILABCBJXSOCBH-QGZVFWFLSA-N -1 3 389.814 3.352 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)cs1 ZINC000153486038 1422563708 /nfs/dbraw/zinc/56/37/08/1422563708.db2.gz NOVMUTLQEHGYQP-UHFFFAOYSA-N -1 3 398.469 3.342 20 0 GGADHM O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1[O-] ZINC000153495342 1422568924 /nfs/dbraw/zinc/56/89/24/1422568924.db2.gz KTFBFDKQCBNDNH-UHFFFAOYSA-N -1 3 394.880 3.058 20 0 GGADHM CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153669659 1422695056 /nfs/dbraw/zinc/69/50/56/1422695056.db2.gz HUAMTJZRMHDQGK-INIZCTEOSA-N -1 3 392.908 3.465 20 0 GGADHM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C2=O ZINC000153686175 1422702043 /nfs/dbraw/zinc/70/20/43/1422702043.db2.gz VIBCEZBGOXRRHL-SNVBAGLBSA-N -1 3 392.333 3.343 20 0 GGADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCc1ccccc1F ZINC000153715831 1422718850 /nfs/dbraw/zinc/71/88/50/1422718850.db2.gz NWMLCLNQLYRBOU-HNNXBMFYSA-N -1 3 380.419 3.274 20 0 GGADHM COc1cccc(CNC(=O)[C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000153722761 1422722501 /nfs/dbraw/zinc/72/25/01/1422722501.db2.gz NPPYMVWESBGGGM-MRXNPFEDSA-N -1 3 392.455 3.144 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826412200 1429583471 /nfs/dbraw/zinc/58/34/71/1429583471.db2.gz GEZMCJTZICSAHN-INIZCTEOSA-N -1 3 382.493 3.388 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826412200 1429583476 /nfs/dbraw/zinc/58/34/76/1429583476.db2.gz GEZMCJTZICSAHN-INIZCTEOSA-N -1 3 382.493 3.388 20 0 GGADHM COc1cc(C(=O)NC2CCN(c3cccc(C)n3)CC2)cc(Cl)c1[O-] ZINC000153843098 1422793177 /nfs/dbraw/zinc/79/31/77/1422793177.db2.gz PQAMCICLECOSJP-UHFFFAOYSA-N -1 3 375.856 3.156 20 0 GGADHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cs1 ZINC000153852056 1422798701 /nfs/dbraw/zinc/79/87/01/1422798701.db2.gz JOKUORLGNKYGGB-UHFFFAOYSA-N -1 3 381.479 3.443 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826331951 1429587586 /nfs/dbraw/zinc/58/75/86/1429587586.db2.gz FIOWXPNFEMSRLQ-IBGZPJMESA-N -1 3 385.475 3.480 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826331951 1429587592 /nfs/dbraw/zinc/58/75/92/1429587592.db2.gz FIOWXPNFEMSRLQ-IBGZPJMESA-N -1 3 385.475 3.480 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000153912696 1422809706 /nfs/dbraw/zinc/80/97/06/1422809706.db2.gz XOJWXDOXTQMGQG-HNNXBMFYSA-N -1 3 378.252 3.319 20 0 GGADHM O=S(=O)([N-]c1cccc(CN2CCOCC2)c1)c1ccc2c(c1)CCCC2 ZINC000153921755 1422811529 /nfs/dbraw/zinc/81/15/29/1422811529.db2.gz OGEJSZJMGUFEAM-UHFFFAOYSA-N -1 3 386.517 3.198 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000153949947 1422815673 /nfs/dbraw/zinc/81/56/73/1422815673.db2.gz FRYWTCNMQOQVST-HNNXBMFYSA-N -1 3 395.349 3.170 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCCF)c2)ccc1F ZINC000153951409 1422815987 /nfs/dbraw/zinc/81/59/87/1422815987.db2.gz PFJAPHMMUAFMSG-UHFFFAOYSA-N -1 3 398.431 3.113 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCCF)c(Cl)cc1Cl ZINC000154001558 1422823584 /nfs/dbraw/zinc/82/35/84/1422823584.db2.gz JHSITXNNFOBZGS-UHFFFAOYSA-N -1 3 385.288 3.017 20 0 GGADHM O=C(CSCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000154020196 1422826814 /nfs/dbraw/zinc/82/68/14/1422826814.db2.gz YXBTYRDFAODSGY-ZDUSSCGKSA-N -1 3 396.862 3.422 20 0 GGADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)c1 ZINC000154032606 1422829087 /nfs/dbraw/zinc/82/90/87/1422829087.db2.gz OMAVHKCSMOWLQZ-UHFFFAOYSA-N -1 3 396.896 3.297 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCF)ccc2C)cc1 ZINC000154076888 1422836393 /nfs/dbraw/zinc/83/63/93/1422836393.db2.gz SLKITIXMHKTMLU-UHFFFAOYSA-N -1 3 394.468 3.284 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C[C@@H](O)c3ccc(F)cc3)nc2)n1 ZINC000154157712 1422848044 /nfs/dbraw/zinc/84/80/44/1422848044.db2.gz QAZNEDZFVGAHAT-SCLBCKFNSA-N -1 3 382.439 3.458 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C[C@H](O)c3ccc(F)cc3)nc2)n1 ZINC000154157496 1422848080 /nfs/dbraw/zinc/84/80/80/1422848080.db2.gz QAZNEDZFVGAHAT-UGSOOPFHSA-N -1 3 382.439 3.458 20 0 GGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000154158615 1422848207 /nfs/dbraw/zinc/84/82/07/1422848207.db2.gz GYUBFGHUZCSHOP-UHFFFAOYSA-N -1 3 378.314 3.107 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983435 1429596587 /nfs/dbraw/zinc/59/65/87/1429596587.db2.gz HNGVXDRSEZUNBB-QWHCGFSZSA-N -1 3 382.493 3.266 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983435 1429596594 /nfs/dbraw/zinc/59/65/94/1429596594.db2.gz HNGVXDRSEZUNBB-QWHCGFSZSA-N -1 3 382.493 3.266 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC=CC3)ccc2C)cc1 ZINC000154393084 1422882951 /nfs/dbraw/zinc/88/29/51/1422882951.db2.gz CURCBWGXXVMPMV-UHFFFAOYSA-N -1 3 386.473 3.253 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1COc2ccc(F)cc2C1 ZINC000154402662 1422884588 /nfs/dbraw/zinc/88/45/88/1422884588.db2.gz FQQPIKXUWWEJTD-LBPRGKRZSA-N -1 3 380.213 3.161 20 0 GGADHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)s1 ZINC000154489364 1422895963 /nfs/dbraw/zinc/89/59/63/1422895963.db2.gz HBTQRLHZIFGGTB-UHFFFAOYSA-N -1 3 398.469 3.249 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)c3c(C)n[nH]c3C)c2)n1 ZINC000154530353 1422907100 /nfs/dbraw/zinc/90/71/00/1422907100.db2.gz ATQXXZPBPOCELX-GFCCVEGCSA-N -1 3 379.464 3.472 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000179830951 1429600998 /nfs/dbraw/zinc/60/09/98/1429600998.db2.gz UDARLVGJMAIHHZ-UHFFFAOYSA-N -1 3 394.403 3.433 20 0 GGADHM Cc1ccc(Br)c(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000154708521 1423008022 /nfs/dbraw/zinc/00/80/22/1423008022.db2.gz BOIXNFCDTUILBO-UHFFFAOYSA-N -1 3 399.248 3.018 20 0 GGADHM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1 ZINC000179850672 1429609023 /nfs/dbraw/zinc/60/90/23/1429609023.db2.gz ZGHCRXSQWYDAFN-ZDUSSCGKSA-N -1 3 376.388 3.369 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc(COC)nc3C)c2)n1 ZINC000154857958 1423056860 /nfs/dbraw/zinc/05/68/60/1423056860.db2.gz YMDDMYJUDBZLPF-UHFFFAOYSA-N -1 3 384.461 3.163 20 0 GGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000154924160 1423081463 /nfs/dbraw/zinc/08/14/63/1423081463.db2.gz BTYMVJNRUVIIDA-DGCLKSJQSA-N -1 3 386.464 3.104 20 0 GGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000154985197 1423100199 /nfs/dbraw/zinc/10/01/99/1423100199.db2.gz MAPGUHRQMZGEQT-FQEVSTJZSA-N -1 3 380.488 3.192 20 0 GGADHM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(Cl)c1[O-] ZINC000179867083 1429616787 /nfs/dbraw/zinc/61/67/87/1429616787.db2.gz GMMNMENBLWSTQC-UHFFFAOYSA-N -1 3 383.897 3.350 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(N4CCCNC4=O)c3)c[n-]c12 ZINC000155089402 1423156258 /nfs/dbraw/zinc/15/62/58/1423156258.db2.gz OMPMPTHOUCFWNS-UHFFFAOYSA-N -1 3 394.406 3.148 20 0 GGADHM CCOc1ccc(CCNC(=O)NCc2ccc([O-])c(F)c2)cc1OCC ZINC000155094774 1423159553 /nfs/dbraw/zinc/15/95/53/1423159553.db2.gz WSFWXAUDALZYMQ-UHFFFAOYSA-N -1 3 376.428 3.371 20 0 GGADHM COc1ccc(NC(C)=O)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155128060 1423185252 /nfs/dbraw/zinc/18/52/52/1423185252.db2.gz UPMOSWQRAQTLCM-UHFFFAOYSA-N -1 3 383.379 3.195 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(C)cc2)n1 ZINC000179879389 1429621425 /nfs/dbraw/zinc/62/14/25/1429621425.db2.gz ZEVZEGYXCWNZKA-KRWDZBQOSA-N -1 3 388.427 3.459 20 0 GGADHM Cc1cc(C)nc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000155277311 1423295040 /nfs/dbraw/zinc/29/50/40/1423295040.db2.gz HFISYWWZGAEIQI-UHFFFAOYSA-N -1 3 379.457 3.167 20 0 GGADHM C[C@H](c1nc(-c2ccccc2)no1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155285117 1423300787 /nfs/dbraw/zinc/30/07/87/1423300787.db2.gz NQBJGILAORHHAU-LURBXMNDSA-N -1 3 398.366 3.261 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000155299142 1423306712 /nfs/dbraw/zinc/30/67/12/1423306712.db2.gz QVHWKDKZCTYLEE-ZDUSSCGKSA-N -1 3 382.489 3.467 20 0 GGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000155299255 1423306799 /nfs/dbraw/zinc/30/67/99/1423306799.db2.gz QVHWKDKZCTYLEE-CYBMUJFWSA-N -1 3 382.489 3.467 20 0 GGADHM COc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1NC(C)=O ZINC000155299868 1423307003 /nfs/dbraw/zinc/30/70/03/1423307003.db2.gz ZKNDJOCXAMMYBF-UHFFFAOYSA-N -1 3 383.379 3.195 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2noc(C3CCCCC3)n2)[n-]1 ZINC000155342621 1423325003 /nfs/dbraw/zinc/32/50/03/1423325003.db2.gz AWVFYTJQPDJPTI-SANMLTNESA-N -1 3 390.387 3.081 20 0 GGADHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C)nc(Cl)c2)C1=O ZINC000155351084 1423328239 /nfs/dbraw/zinc/32/82/39/1423328239.db2.gz AGCXOAVDWIJGSF-SFHVURJKSA-N -1 3 380.876 3.359 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)n1 ZINC000155388239 1423344200 /nfs/dbraw/zinc/34/42/00/1423344200.db2.gz UGDUFYRXTFEEEQ-UHFFFAOYSA-N -1 3 389.411 3.380 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(Cn4cccn4)c3)c[n-]c12 ZINC000155419765 1423356288 /nfs/dbraw/zinc/35/62/88/1423356288.db2.gz LSXVTSJMJWBZKI-UHFFFAOYSA-N -1 3 376.391 3.473 20 0 GGADHM COc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1NC(C)=O ZINC000155604071 1423441616 /nfs/dbraw/zinc/44/16/16/1423441616.db2.gz CQKDNPZHHAXDHI-UHFFFAOYSA-N -1 3 383.379 3.195 20 0 GGADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000155609693 1423443475 /nfs/dbraw/zinc/44/34/75/1423443475.db2.gz ATEPNJFMEMHHEH-INIZCTEOSA-N -1 3 383.492 3.317 20 0 GGADHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155736413 1423509908 /nfs/dbraw/zinc/50/99/08/1423509908.db2.gz BBDGSRKHTGININ-QUCCMNQESA-N -1 3 383.492 3.134 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCCO3)ccc2C)c(C)c1 ZINC000155765846 1423524853 /nfs/dbraw/zinc/52/48/53/1423524853.db2.gz RYGDTXALOVTYEH-UHFFFAOYSA-N -1 3 388.489 3.499 20 0 GGADHM CCN1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000179936782 1429650828 /nfs/dbraw/zinc/65/08/28/1429650828.db2.gz NWIXTHFUEIQLGG-GFCCVEGCSA-N -1 3 381.457 3.476 20 0 GGADHM NC(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179936045 1429650982 /nfs/dbraw/zinc/65/09/82/1429650982.db2.gz OTAOZPZTKBUZLG-GFCCVEGCSA-N -1 3 396.472 3.398 20 0 GGADHM CCCn1c2nnc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)n2c2ccccc2c1=O ZINC000155853464 1423561632 /nfs/dbraw/zinc/56/16/32/1423561632.db2.gz BHFAAWULZZGKAT-LBPRGKRZSA-N -1 3 396.476 3.112 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000826182909 1423561751 /nfs/dbraw/zinc/56/17/51/1423561751.db2.gz XVUZSSMXJQVESO-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000826182909 1423561754 /nfs/dbraw/zinc/56/17/54/1423561754.db2.gz XVUZSSMXJQVESO-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826169997 1423566719 /nfs/dbraw/zinc/56/67/19/1423566719.db2.gz LNWSKQXMMCUGSQ-HNAYVOBHSA-N -1 3 379.464 3.133 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826169997 1423566725 /nfs/dbraw/zinc/56/67/25/1423566725.db2.gz LNWSKQXMMCUGSQ-HNAYVOBHSA-N -1 3 379.464 3.133 20 0 GGADHM O=C(COc1ccccc1)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000155911936 1423592420 /nfs/dbraw/zinc/59/24/20/1423592420.db2.gz JBIFUCYLQVYPLY-CQSZACIVSA-N -1 3 388.851 3.302 20 0 GGADHM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1cccc(Cl)c1Cl ZINC000155959795 1423609973 /nfs/dbraw/zinc/60/99/73/1423609973.db2.gz GOSLBCVSQNBDHE-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1cc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c2ccccc2n1 ZINC000155973498 1423615323 /nfs/dbraw/zinc/61/53/23/1423615323.db2.gz GAUXIZUXIFSQBO-UHFFFAOYSA-N -1 3 397.378 3.173 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000156011361 1423632615 /nfs/dbraw/zinc/63/26/15/1423632615.db2.gz JKNBNVGZUPLMHX-UHFFFAOYSA-N -1 3 375.450 3.074 20 0 GGADHM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccc(O)cc1[O-] ZINC000156014243 1423634710 /nfs/dbraw/zinc/63/47/10/1423634710.db2.gz LAYOLFQBYBDBMG-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM COc1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1-c1nnn[n-]1 ZINC000826193237 1423679518 /nfs/dbraw/zinc/67/95/18/1423679518.db2.gz VYFGZRPTLAJIBB-UHFFFAOYSA-N -1 3 378.480 3.108 20 0 GGADHM COc1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1-c1nn[n-]n1 ZINC000826193237 1423679521 /nfs/dbraw/zinc/67/95/21/1423679521.db2.gz VYFGZRPTLAJIBB-UHFFFAOYSA-N -1 3 378.480 3.108 20 0 GGADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179960415 1429663692 /nfs/dbraw/zinc/66/36/92/1429663692.db2.gz PABUQCBFPMPOBY-VHSXEESVSA-N -1 3 385.960 3.052 20 0 GGADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179960368 1429664037 /nfs/dbraw/zinc/66/40/37/1429664037.db2.gz PABUQCBFPMPOBY-ZJUUUORDSA-N -1 3 385.960 3.052 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c(C)cc(N(C)C)cc3C)cc21 ZINC000156186809 1423712801 /nfs/dbraw/zinc/71/28/01/1423712801.db2.gz VKWMKAIGSCMFSC-UHFFFAOYSA-N -1 3 387.505 3.079 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000156205471 1423724592 /nfs/dbraw/zinc/72/45/92/1423724592.db2.gz PYLNGUQXEHXBQC-SFHVURJKSA-N -1 3 394.402 3.008 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000156226469 1423734437 /nfs/dbraw/zinc/73/44/37/1423734437.db2.gz QWGLCYPKKALFLG-UHFFFAOYSA-N -1 3 398.291 3.200 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2o1 ZINC000156225174 1423734835 /nfs/dbraw/zinc/73/48/35/1423734835.db2.gz GEKQLXUIWWGQJT-LLVKDONJSA-N -1 3 377.393 3.398 20 0 GGADHM Cc1coc(-c2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccc2C)n1 ZINC000156230771 1423736580 /nfs/dbraw/zinc/73/65/80/1423736580.db2.gz GNILUMKPDBLSDR-UHFFFAOYSA-N -1 3 383.379 3.058 20 0 GGADHM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156244558 1423740765 /nfs/dbraw/zinc/74/07/65/1423740765.db2.gz XHZNFYBZHQWJQF-QGZVFWFLSA-N -1 3 390.480 3.008 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000156250750 1423743043 /nfs/dbraw/zinc/74/30/43/1423743043.db2.gz MYWHQURJYHRIHT-UHFFFAOYSA-N -1 3 394.862 3.142 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000156266189 1423749333 /nfs/dbraw/zinc/74/93/33/1423749333.db2.gz ZRNUEEKSFVBGSN-UNOMPAQXSA-N -1 3 391.402 3.014 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCCC1 ZINC000179972054 1429669629 /nfs/dbraw/zinc/66/96/29/1429669629.db2.gz RNPYRCSTJIKLOV-UHFFFAOYSA-N -1 3 385.960 3.054 20 0 GGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156306982 1423769401 /nfs/dbraw/zinc/76/94/01/1423769401.db2.gz JNNOQLXASKCHTO-IFXJQAMLSA-N -1 3 384.451 3.147 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000156378641 1423801734 /nfs/dbraw/zinc/80/17/34/1423801734.db2.gz ALGCLNIKIAXZHX-CQSZACIVSA-N -1 3 389.260 3.037 20 0 GGADHM COc1ccc(N(Cc2ccco2)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1F ZINC000156388824 1423803514 /nfs/dbraw/zinc/80/35/14/1423803514.db2.gz ZDOIYDVWDMPUQF-UHFFFAOYSA-N -1 3 399.422 3.293 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Cc2cccs2)ccc1F ZINC000156436562 1423810630 /nfs/dbraw/zinc/81/06/30/1423810630.db2.gz QQBPLQLDPVEPPR-ZDUSSCGKSA-N -1 3 398.525 3.183 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1Cl ZINC000156529820 1423823471 /nfs/dbraw/zinc/82/34/71/1423823471.db2.gz RKECJOLFGAJNBW-UHFFFAOYSA-N -1 3 394.880 3.449 20 0 GGADHM O=C(NCCNC(=O)C1(Sc2ccccc2)CCCC1)c1ccc([O-])cc1 ZINC000156538882 1423825349 /nfs/dbraw/zinc/82/53/49/1423825349.db2.gz WRNMPQLZQFAQLW-UHFFFAOYSA-N -1 3 384.501 3.343 20 0 GGADHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)n1Cc1ccccc1 ZINC000156544221 1423826097 /nfs/dbraw/zinc/82/60/97/1423826097.db2.gz PGOJYPKRUCYBBA-UHFFFAOYSA-N -1 3 391.471 3.019 20 0 GGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000156638123 1423839044 /nfs/dbraw/zinc/83/90/44/1423839044.db2.gz SEMLGUPKMBAAHH-UHFFFAOYSA-N -1 3 383.857 3.016 20 0 GGADHM O[C@H](CN(Cc1ccccc1)Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000823674083 1423843748 /nfs/dbraw/zinc/84/37/48/1423843748.db2.gz PYKYXBJEXIYXOD-LJQANCHMSA-N -1 3 393.422 3.335 20 0 GGADHM O[C@H](CN(Cc1ccccc1)Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000823674083 1423843755 /nfs/dbraw/zinc/84/37/55/1423843755.db2.gz PYKYXBJEXIYXOD-LJQANCHMSA-N -1 3 393.422 3.335 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)Cc2ccccc2F)cc1OC ZINC000156694719 1423849251 /nfs/dbraw/zinc/84/92/51/1423849251.db2.gz MZRRTOHLOQEIHD-CYBMUJFWSA-N -1 3 394.468 3.413 20 0 GGADHM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2cccc(F)c2)c2ccc(Cl)cc2)no1 ZINC000179989131 1429677832 /nfs/dbraw/zinc/67/78/32/1429677832.db2.gz XZFZLUIZDPKVAY-INIZCTEOSA-N -1 3 395.843 3.380 20 0 GGADHM C/C(=C/c1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000156805735 1423867831 /nfs/dbraw/zinc/86/78/31/1423867831.db2.gz GMDIPZQWGQMEKK-PFONDFGASA-N -1 3 384.863 3.434 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000156919256 1423885898 /nfs/dbraw/zinc/88/58/98/1423885898.db2.gz MDWFJUJSCXLDNO-UHFFFAOYSA-N -1 3 376.409 3.104 20 0 GGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156937560 1423889636 /nfs/dbraw/zinc/88/96/36/1423889636.db2.gz IJTOMLZEZHVHBP-LBPRGKRZSA-N -1 3 386.427 3.376 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1F ZINC000156998164 1423899661 /nfs/dbraw/zinc/89/96/61/1423899661.db2.gz NSAUPYIGGXNPJV-UHFFFAOYSA-N -1 3 383.416 3.008 20 0 GGADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)ccc1O ZINC000157003967 1423900493 /nfs/dbraw/zinc/90/04/93/1423900493.db2.gz YNZOLZLCIAAASM-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825059569 1423922034 /nfs/dbraw/zinc/92/20/34/1423922034.db2.gz HANJDSDLENQNKA-RYUDHWBXSA-N -1 3 376.530 3.112 20 0 GGADHM CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825059569 1423922040 /nfs/dbraw/zinc/92/20/40/1423922040.db2.gz HANJDSDLENQNKA-RYUDHWBXSA-N -1 3 376.530 3.112 20 0 GGADHM O[C@@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680923 1429683337 /nfs/dbraw/zinc/68/33/37/1429683337.db2.gz BIUCMKVCPPVFOC-IRXDYDNUSA-N -1 3 392.488 3.347 20 0 GGADHM O[C@@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680923 1429683341 /nfs/dbraw/zinc/68/33/41/1429683341.db2.gz BIUCMKVCPPVFOC-IRXDYDNUSA-N -1 3 392.488 3.347 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)C(C)(C)c1ccccc1 ZINC000157171623 1423944510 /nfs/dbraw/zinc/94/45/10/1423944510.db2.gz COPOEYXNLUZQTD-CYBMUJFWSA-N -1 3 379.453 3.257 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCC1 ZINC000157230843 1423961628 /nfs/dbraw/zinc/96/16/28/1423961628.db2.gz LJMSEHHNRFZDLI-SFHVURJKSA-N -1 3 377.437 3.432 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)n1 ZINC000157256345 1423967979 /nfs/dbraw/zinc/96/79/79/1423967979.db2.gz MFMSDIUHDOPJFC-UHFFFAOYSA-N -1 3 390.443 3.193 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3Cl)ccc1F ZINC000157629631 1424052574 /nfs/dbraw/zinc/05/25/74/1424052574.db2.gz RZNWHCBFHLRGFA-UHFFFAOYSA-N -1 3 396.871 3.369 20 0 GGADHM Cc1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)c(O[C@H](C)CC(C)C)c1 ZINC000157728775 1424075880 /nfs/dbraw/zinc/07/58/80/1424075880.db2.gz ONHAYJRLGAFYFA-OAHLLOKOSA-N -1 3 385.508 3.367 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3nc(-c4ccco4)oc3C)nc21 ZINC000157771533 1424084675 /nfs/dbraw/zinc/08/46/75/1424084675.db2.gz TXZXMXBFEWTKPI-UHFFFAOYSA-N -1 3 380.360 3.087 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3cnn(-c4ccccc4)c3)nc21 ZINC000157779789 1424086561 /nfs/dbraw/zinc/08/65/61/1424086561.db2.gz BRFJPQKWQLQHKM-UHFFFAOYSA-N -1 3 389.415 3.107 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000157792446 1424088590 /nfs/dbraw/zinc/08/85/90/1424088590.db2.gz CWHKLJFPGIPELG-NVXWUHKLSA-N -1 3 391.464 3.302 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000157792594 1424088839 /nfs/dbraw/zinc/08/88/39/1424088839.db2.gz CWHKLJFPGIPELG-WBVHZDCISA-N -1 3 391.464 3.302 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3nc(-c4ccccc4)oc3C)nc21 ZINC000157794682 1424090054 /nfs/dbraw/zinc/09/00/54/1424090054.db2.gz UYYXAAUNRJVOMH-UHFFFAOYSA-N -1 3 390.399 3.494 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H](CC)C3)c2)n1 ZINC000157876223 1424109613 /nfs/dbraw/zinc/10/96/13/1424109613.db2.gz CLWRYFNIEOKTNN-RHSMWYFYSA-N -1 3 396.491 3.023 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOCc3cccc(OC)c3)nc2)n1 ZINC000157891470 1424113519 /nfs/dbraw/zinc/11/35/19/1424113519.db2.gz YVAHHQMVADHSHC-UHFFFAOYSA-N -1 3 380.448 3.032 20 0 GGADHM O=C(CCN1CCC[C@@H]1c1ccc(F)c(F)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000737845185 1424156460 /nfs/dbraw/zinc/15/64/60/1424156460.db2.gz XSHWKWNTPVLBIV-GOSISDBHSA-N -1 3 398.417 3.311 20 0 GGADHM O=C(CCN1CCC[C@@H]1c1ccc(F)c(F)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737845185 1424156465 /nfs/dbraw/zinc/15/64/65/1424156465.db2.gz XSHWKWNTPVLBIV-GOSISDBHSA-N -1 3 398.417 3.311 20 0 GGADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000158150297 1424180202 /nfs/dbraw/zinc/18/02/02/1424180202.db2.gz IHTXUDUTEONEBA-BDAKNGLRSA-N -1 3 396.353 3.363 20 0 GGADHM CCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2C1 ZINC000736479731 1429707062 /nfs/dbraw/zinc/70/70/62/1429707062.db2.gz GAXPEWIYXFFJLA-AWEZNQCLSA-N -1 3 391.479 3.031 20 0 GGADHM CC(C)CN1Cc2cccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)c2C1 ZINC000158332609 1424228606 /nfs/dbraw/zinc/22/86/06/1424228606.db2.gz PXNAHCXQFWSLBY-UHFFFAOYSA-N -1 3 387.505 3.282 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC4(CCCC4)CC3)nc(=O)c2c1C ZINC000158392673 1424243683 /nfs/dbraw/zinc/24/36/83/1424243683.db2.gz NIUBNNYRAXLJOQ-UHFFFAOYSA-N -1 3 375.494 3.236 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)nc21 ZINC000158409465 1424247197 /nfs/dbraw/zinc/24/71/97/1424247197.db2.gz ZZMOGYZQIOSSRN-UHFFFAOYSA-N -1 3 395.806 3.441 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)nn(-c4ccccc4)c3C)nc21 ZINC000158414107 1424248296 /nfs/dbraw/zinc/24/82/96/1424248296.db2.gz ISXHDGHTGPNOGL-UHFFFAOYSA-N -1 3 389.415 3.404 20 0 GGADHM CN(C)c1nccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000736780581 1424283423 /nfs/dbraw/zinc/28/34/23/1424283423.db2.gz XKVAHFCRPGAQDV-UHFFFAOYSA-N -1 3 378.465 3.063 20 0 GGADHM CN(C)c1nccc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000736780581 1424283432 /nfs/dbraw/zinc/28/34/32/1424283432.db2.gz XKVAHFCRPGAQDV-UHFFFAOYSA-N -1 3 378.465 3.063 20 0 GGADHM CN(C)[C@@H](CNc1ccc(Br)cc1-c1nn[n-]n1)c1cccs1 ZINC000736758838 1424288751 /nfs/dbraw/zinc/28/87/51/1424288751.db2.gz IWHPOGFQLKISQN-ZDUSSCGKSA-N -1 3 393.314 3.406 20 0 GGADHM CN(C)[C@@H](CNc1ccc(Br)cc1-c1nnn[n-]1)c1cccs1 ZINC000736758838 1424288757 /nfs/dbraw/zinc/28/87/57/1424288757.db2.gz IWHPOGFQLKISQN-ZDUSSCGKSA-N -1 3 393.314 3.406 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000158657400 1424312498 /nfs/dbraw/zinc/31/24/98/1424312498.db2.gz QOMFPRNLHXRWFP-CQSZACIVSA-N -1 3 393.846 3.271 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N(C)C)cc3F)c2)n1 ZINC000158692188 1424321120 /nfs/dbraw/zinc/32/11/20/1424321120.db2.gz YMDXJFGMJSSFNP-UHFFFAOYSA-N -1 3 380.423 3.457 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccccc2C)cc1 ZINC000158754130 1424334833 /nfs/dbraw/zinc/33/48/33/1424334833.db2.gz FDERVKNHOWCSFH-UHFFFAOYSA-N -1 3 396.534 3.015 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)c1C ZINC000822557413 1429718453 /nfs/dbraw/zinc/71/84/53/1429718453.db2.gz ICVCPYPDDZCETR-CQDKDKBSSA-N -1 3 388.541 3.384 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1C ZINC000822557413 1429718456 /nfs/dbraw/zinc/71/84/56/1429718456.db2.gz ICVCPYPDDZCETR-CQDKDKBSSA-N -1 3 388.541 3.384 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc2ccccc2c1)c1cc(F)c(F)c(F)c1 ZINC000158775663 1424339258 /nfs/dbraw/zinc/33/92/58/1424339258.db2.gz ANXRVINKUXUZBK-QGZVFWFLSA-N -1 3 381.375 3.269 20 0 GGADHM Cc1conc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000158780827 1424340000 /nfs/dbraw/zinc/34/00/00/1424340000.db2.gz YSRTYJYMEQYOET-UHFFFAOYSA-N -1 3 378.816 3.225 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)SC ZINC000180060646 1429718898 /nfs/dbraw/zinc/71/88/98/1429718898.db2.gz JEMWKNKEASIMBW-UHFFFAOYSA-N -1 3 386.308 3.017 20 0 GGADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1 ZINC000158850284 1424357316 /nfs/dbraw/zinc/35/73/16/1424357316.db2.gz LCQHULTVSWPTPY-UHFFFAOYSA-N -1 3 380.322 3.489 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ncccc2OCC2CCCCC2)c(=O)[n-]1 ZINC000158866186 1424360240 /nfs/dbraw/zinc/36/02/40/1424360240.db2.gz DCVLNEVGUARUPI-UHFFFAOYSA-N -1 3 384.480 3.312 20 0 GGADHM COc1ccc(NCc2ccc3c(c2)CC(C)(C)O3)cc1[N-]S(C)(=O)=O ZINC000158967149 1424383969 /nfs/dbraw/zinc/38/39/69/1424383969.db2.gz KQZYBFHPOJRCMJ-UHFFFAOYSA-N -1 3 376.478 3.392 20 0 GGADHM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139093952 1424431793 /nfs/dbraw/zinc/43/17/93/1424431793.db2.gz MEFZYAVHSYLLHE-UHFFFAOYSA-N -1 3 386.500 3.088 20 0 GGADHM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139093952 1424431796 /nfs/dbraw/zinc/43/17/96/1424431796.db2.gz MEFZYAVHSYLLHE-UHFFFAOYSA-N -1 3 386.500 3.088 20 0 GGADHM COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc([O-])c(F)c2)cc1OC ZINC000159218788 1424446287 /nfs/dbraw/zinc/44/62/87/1424446287.db2.gz VLXPZMXRVBQYSW-LJQANCHMSA-N -1 3 386.423 3.496 20 0 GGADHM COc1ccc(C(C)(C)CNC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000159255102 1424461680 /nfs/dbraw/zinc/46/16/80/1424461680.db2.gz DTYKSWMMWPXQMD-UHFFFAOYSA-N -1 3 376.428 3.326 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)nc21 ZINC000159274147 1424467739 /nfs/dbraw/zinc/46/77/39/1424467739.db2.gz DYDNDNXGJHMVHA-AWEZNQCLSA-N -1 3 394.214 3.328 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)nc21 ZINC000159274005 1424467785 /nfs/dbraw/zinc/46/77/85/1424467785.db2.gz DYDNDNXGJHMVHA-CQSZACIVSA-N -1 3 394.214 3.328 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C)cc2)sc1Br ZINC000159423450 1424501402 /nfs/dbraw/zinc/50/14/02/1424501402.db2.gz AESWCYHHUTZBRT-GFCCVEGCSA-N -1 3 390.324 3.139 20 0 GGADHM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000159472424 1424505312 /nfs/dbraw/zinc/50/53/12/1424505312.db2.gz JYXGTGOIUTVBNA-AWEZNQCLSA-N -1 3 376.261 3.014 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000159597082 1424516343 /nfs/dbraw/zinc/51/63/43/1424516343.db2.gz KEGRGDOBMIEXPV-LLVKDONJSA-N -1 3 399.373 3.418 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000159597082 1424516353 /nfs/dbraw/zinc/51/63/53/1424516353.db2.gz KEGRGDOBMIEXPV-LLVKDONJSA-N -1 3 399.373 3.418 20 0 GGADHM CCc1n[n-]c(S(=O)(=O)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)n1 ZINC000160020317 1424563512 /nfs/dbraw/zinc/56/35/12/1424563512.db2.gz UWHUYYFTBTWQKJ-UHFFFAOYSA-N -1 3 386.355 3.015 20 0 GGADHM CCc1nnc(S(=O)(=O)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[n-]1 ZINC000160020317 1424563518 /nfs/dbraw/zinc/56/35/18/1424563518.db2.gz UWHUYYFTBTWQKJ-UHFFFAOYSA-N -1 3 386.355 3.015 20 0 GGADHM Cc1cc(C)cc([C@@H](O)CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822196606 1424584358 /nfs/dbraw/zinc/58/43/58/1424584358.db2.gz PUXNLUNHODWASM-NRFANRHFSA-N -1 3 393.491 3.060 20 0 GGADHM Cc1cc(C)cc([C@@H](O)CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822196606 1424584362 /nfs/dbraw/zinc/58/43/62/1424584362.db2.gz PUXNLUNHODWASM-NRFANRHFSA-N -1 3 393.491 3.060 20 0 GGADHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160342466 1424596730 /nfs/dbraw/zinc/59/67/30/1424596730.db2.gz UAZBNQSKSPPJOC-MRXNPFEDSA-N -1 3 377.404 3.276 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160622142 1424619916 /nfs/dbraw/zinc/61/99/16/1424619916.db2.gz DSSOCXVBSHLKOQ-UHFFFAOYSA-N -1 3 396.213 3.316 20 0 GGADHM O=C(CCCNC(=O)c1ccccc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160637608 1424621567 /nfs/dbraw/zinc/62/15/67/1424621567.db2.gz GUMDSLWSUDPZNM-UHFFFAOYSA-N -1 3 380.366 3.463 20 0 GGADHM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000160760903 1424633514 /nfs/dbraw/zinc/63/35/14/1424633514.db2.gz YPDIMUZQLXXBGZ-AWEZNQCLSA-N -1 3 376.261 3.014 20 0 GGADHM O=C(Cc1ccccc1F)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000180121749 1429745977 /nfs/dbraw/zinc/74/59/77/1429745977.db2.gz DEAKTXAPAAAGFJ-UHFFFAOYSA-N -1 3 385.620 3.245 20 0 GGADHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000161575448 1424715254 /nfs/dbraw/zinc/71/52/54/1424715254.db2.gz HPLZFPGFLKYTQQ-UHFFFAOYSA-N -1 3 392.868 3.157 20 0 GGADHM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000161581220 1424717523 /nfs/dbraw/zinc/71/75/23/1424717523.db2.gz BNLMEXSCYXRFQY-UHFFFAOYSA-N -1 3 398.488 3.074 20 0 GGADHM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1 ZINC000161584679 1424718024 /nfs/dbraw/zinc/71/80/24/1424718024.db2.gz MRCYRTBBWMATBH-UHFFFAOYSA-N -1 3 386.477 3.318 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3ccc(COC)o3)nc2)n1 ZINC000161606498 1424722220 /nfs/dbraw/zinc/72/22/20/1424722220.db2.gz CVYSSGKTFDYYGM-KRWDZBQOSA-N -1 3 380.448 3.475 20 0 GGADHM O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccs1 ZINC000161830937 1424774496 /nfs/dbraw/zinc/77/44/96/1424774496.db2.gz NXEZEQAVUNBIQU-AWEZNQCLSA-N -1 3 386.926 3.050 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccco1 ZINC000161908181 1424793134 /nfs/dbraw/zinc/79/31/34/1424793134.db2.gz PGZPAUJEJZXEQD-FQEVSTJZSA-N -1 3 378.428 3.205 20 0 GGADHM CCc1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000161935644 1424800687 /nfs/dbraw/zinc/80/06/87/1424800687.db2.gz PDLREVITOLFRKI-UHFFFAOYSA-N -1 3 381.404 3.369 20 0 GGADHM CCCn1c(C)nnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000161971633 1424805045 /nfs/dbraw/zinc/80/50/45/1424805045.db2.gz CIDNPTOTRIUZBA-UHFFFAOYSA-N -1 3 391.903 3.206 20 0 GGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000162108966 1424816740 /nfs/dbraw/zinc/81/67/40/1424816740.db2.gz VASZIQLSFWYLFX-GOSISDBHSA-N -1 3 380.492 3.052 20 0 GGADHM COc1cc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000162183254 1424824468 /nfs/dbraw/zinc/82/44/68/1424824468.db2.gz YAXAARCNYYIBLG-HXUWFJFHSA-N -1 3 378.428 3.456 20 0 GGADHM Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(N(C)C)n1 ZINC000162385428 1424844609 /nfs/dbraw/zinc/84/46/09/1424844609.db2.gz CWANFMQSRWPSSK-UHFFFAOYSA-N -1 3 379.258 3.246 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cc(NC(=O)N(C)C)ccc3Cl)n[n-]2)o1 ZINC000162492481 1424858569 /nfs/dbraw/zinc/85/85/69/1424858569.db2.gz ABGBBQPOWDCRPL-UHFFFAOYSA-N -1 3 388.815 3.372 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)ccc3-n3ccnc3)nc21 ZINC000162532362 1424862773 /nfs/dbraw/zinc/86/27/73/1424862773.db2.gz PGMPAYISDZLISR-UHFFFAOYSA-N -1 3 375.388 3.096 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000162675976 1424878665 /nfs/dbraw/zinc/87/86/65/1424878665.db2.gz BVICPSBTIAGMDI-IBGZPJMESA-N -1 3 376.460 3.127 20 0 GGADHM C[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@@H]1CNC(=O)OC(C)(C)C ZINC000162802042 1424891603 /nfs/dbraw/zinc/89/16/03/1424891603.db2.gz XIJPHVYJUPVXJL-KBXCAEBGSA-N -1 3 399.491 3.294 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000162831020 1424894264 /nfs/dbraw/zinc/89/42/64/1424894264.db2.gz LESHVFCENRUWDB-AWEZNQCLSA-N -1 3 378.444 3.185 20 0 GGADHM CCc1ccc(NC(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000163115938 1424943490 /nfs/dbraw/zinc/94/34/90/1424943490.db2.gz OVMYWLLULYMACM-UHFFFAOYSA-N -1 3 390.443 3.139 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCC(O)CC4)cc3)c[n-]c12 ZINC000163130685 1424947447 /nfs/dbraw/zinc/94/74/47/1424947447.db2.gz WXVYHQXDRAHXMM-UHFFFAOYSA-N -1 3 395.434 3.189 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC4(CCC4)C3)cs2)c1 ZINC000180156257 1429767307 /nfs/dbraw/zinc/76/73/07/1429767307.db2.gz OPGLVIOAKKEQTD-UHFFFAOYSA-N -1 3 385.489 3.355 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@H](C)C1 ZINC000163180769 1424954932 /nfs/dbraw/zinc/95/49/32/1424954932.db2.gz YGRDJVSPGKOITF-UONOGXRCSA-N -1 3 393.484 3.463 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@@H](C)C1 ZINC000163180861 1424955011 /nfs/dbraw/zinc/95/50/11/1424955011.db2.gz YGRDJVSPGKOITF-KGLIPLIRSA-N -1 3 393.484 3.463 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c(C)o1 ZINC000163189454 1424956076 /nfs/dbraw/zinc/95/60/76/1424956076.db2.gz CEERVXRCSQBFNL-UHFFFAOYSA-N -1 3 392.477 3.080 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc(C)c1F ZINC000180156083 1429768076 /nfs/dbraw/zinc/76/80/76/1429768076.db2.gz WQGLKRJWPKFBKK-UHFFFAOYSA-N -1 3 378.469 3.076 20 0 GGADHM C[C@@H]1CC(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)O1 ZINC000180150934 1429764048 /nfs/dbraw/zinc/76/40/48/1429764048.db2.gz QQXPLIFJFDCGMQ-ZOCZFRKYSA-N -1 3 396.487 3.326 20 0 GGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cccnc1-n1cccn1 ZINC000163396510 1424991029 /nfs/dbraw/zinc/99/10/29/1424991029.db2.gz PEIDFNSRBUHLKW-UHFFFAOYSA-N -1 3 382.367 3.228 20 0 GGADHM O=C1CC2(CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)Oc2ccc(F)cc21 ZINC001139094847 1424996261 /nfs/dbraw/zinc/99/62/61/1424996261.db2.gz JLQCKWKGXMRDCY-UHFFFAOYSA-N -1 3 393.422 3.006 20 0 GGADHM O=C1CC2(CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)Oc2ccc(F)cc21 ZINC001139094847 1424996264 /nfs/dbraw/zinc/99/62/64/1424996264.db2.gz JLQCKWKGXMRDCY-UHFFFAOYSA-N -1 3 393.422 3.006 20 0 GGADHM Cc1cccc(NC(=O)C[C@@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000826299102 1424997661 /nfs/dbraw/zinc/99/76/61/1424997661.db2.gz QYLATTKPZGOSJN-CYBMUJFWSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1cccc(NC(=O)C[C@@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000826299102 1424997665 /nfs/dbraw/zinc/99/76/65/1424997665.db2.gz QYLATTKPZGOSJN-CYBMUJFWSA-N -1 3 382.443 3.130 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)cc(OC)c1[O-] ZINC000163473086 1425004852 /nfs/dbraw/zinc/00/48/52/1425004852.db2.gz VTELXGHEHNZXQV-MRXNPFEDSA-N -1 3 388.439 3.256 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000163733970 1425039019 /nfs/dbraw/zinc/03/90/19/1425039019.db2.gz MEKWSUAQZKLLAP-UHFFFAOYSA-N -1 3 397.410 3.066 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000163753454 1425041181 /nfs/dbraw/zinc/04/11/81/1425041181.db2.gz ADZWGNUOSUBZSZ-INIZCTEOSA-N -1 3 379.476 3.149 20 0 GGADHM Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)s1 ZINC000826261917 1425086523 /nfs/dbraw/zinc/08/65/23/1425086523.db2.gz XZMHVGMOLHZKOB-ACJLOTCBSA-N -1 3 396.520 3.391 20 0 GGADHM Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)s1 ZINC000826261917 1425086526 /nfs/dbraw/zinc/08/65/26/1425086526.db2.gz XZMHVGMOLHZKOB-ACJLOTCBSA-N -1 3 396.520 3.391 20 0 GGADHM COc1cccc(C[C@@H](OC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccccc2)c1 ZINC000164469229 1425115233 /nfs/dbraw/zinc/11/52/33/1425115233.db2.gz JZXSVTGPUYGGCZ-OAQYLSRUSA-N -1 3 392.455 3.465 20 0 GGADHM Cc1cc(C)cc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000164609122 1425128919 /nfs/dbraw/zinc/12/89/19/1425128919.db2.gz ZDJJTUCGDFQRQQ-UHFFFAOYSA-N -1 3 380.231 3.010 20 0 GGADHM Cc1cccc(S(=O)(=O)CCCO[N-]C(=O)CCCc2ccccc2)c1 ZINC000165923547 1425201121 /nfs/dbraw/zinc/20/11/21/1425201121.db2.gz DPYABRSJYYDFCP-UHFFFAOYSA-N -1 3 375.490 3.230 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(-c4ncn(C)n4)c3)c[n-]c12 ZINC000166062462 1425205926 /nfs/dbraw/zinc/20/59/26/1425205926.db2.gz SJZLRFOQLLFZDX-UHFFFAOYSA-N -1 3 377.379 3.023 20 0 GGADHM Cc1cc(C)cc(C2=CCN(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264421 1425210834 /nfs/dbraw/zinc/21/08/34/1425210834.db2.gz NXQQQQIOESIGRL-OAQYLSRUSA-N -1 3 375.476 3.306 20 0 GGADHM Cc1cc([C@@H](NCC(=O)Nc2sccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262364 1425216497 /nfs/dbraw/zinc/21/64/97/1425216497.db2.gz MXEBOTBXGFPOJM-INIZCTEOSA-N -1 3 386.456 3.055 20 0 GGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(-n2cccc2)cc1 ZINC000169868560 1425260103 /nfs/dbraw/zinc/26/01/03/1425260103.db2.gz BPMJFULPGOWCLV-UHFFFAOYSA-N -1 3 389.455 3.218 20 0 GGADHM CC[C@H](NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000825140635 1425305096 /nfs/dbraw/zinc/30/50/96/1425305096.db2.gz LJXRRHKEFOREMS-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM CC[C@H](NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000825140635 1425305100 /nfs/dbraw/zinc/30/51/00/1425305100.db2.gz LJXRRHKEFOREMS-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM Cc1cc(C(=O)NC2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c(C)o1 ZINC000170776843 1425337770 /nfs/dbraw/zinc/33/77/70/1425337770.db2.gz OABAFUMECKCYOU-UHFFFAOYSA-N -1 3 396.443 3.103 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c([O-])c1 ZINC000170826443 1425356905 /nfs/dbraw/zinc/35/69/05/1425356905.db2.gz WPVHJLKKCNYMFJ-HXUWFJFHSA-N -1 3 394.475 3.210 20 0 GGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000170829101 1425358699 /nfs/dbraw/zinc/35/86/99/1425358699.db2.gz ZHIMYOIIPYTQDE-HNNXBMFYSA-N -1 3 394.475 3.068 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1F ZINC000170873872 1425376776 /nfs/dbraw/zinc/37/67/76/1425376776.db2.gz WAZMQEILNPUBQB-UHFFFAOYSA-N -1 3 379.240 3.057 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000170902620 1425385579 /nfs/dbraw/zinc/38/55/79/1425385579.db2.gz DLKMFKBQFQDHHJ-UHFFFAOYSA-N -1 3 389.386 3.120 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000826175647 1425394036 /nfs/dbraw/zinc/39/40/36/1425394036.db2.gz LTHMQZRCWURPOJ-UHFFFAOYSA-N -1 3 391.834 3.179 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000826175647 1425394045 /nfs/dbraw/zinc/39/40/45/1425394045.db2.gz LTHMQZRCWURPOJ-UHFFFAOYSA-N -1 3 391.834 3.179 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000170947644 1425407220 /nfs/dbraw/zinc/40/72/20/1425407220.db2.gz WTPDCYIGGQTCTK-CQSZACIVSA-N -1 3 399.491 3.294 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCc4ccccc4[C@@H]3C)nc(=O)c2c1C ZINC000170954588 1425415055 /nfs/dbraw/zinc/41/50/55/1425415055.db2.gz XSEDBQUGKGFKEC-LBPRGKRZSA-N -1 3 383.473 3.199 20 0 GGADHM CN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@@H]1CCCO1 ZINC000825980696 1425447384 /nfs/dbraw/zinc/44/73/84/1425447384.db2.gz HASHQLFWWPLAEP-FQEVSTJZSA-N -1 3 379.464 3.057 20 0 GGADHM CN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCCO1 ZINC000825980696 1425447391 /nfs/dbraw/zinc/44/73/91/1425447391.db2.gz HASHQLFWWPLAEP-FQEVSTJZSA-N -1 3 379.464 3.057 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)nc1Cl ZINC000171084889 1425474065 /nfs/dbraw/zinc/47/40/65/1425474065.db2.gz XYEYAPWQYJRWIL-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Fc1ccc(COC2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)cc1 ZINC000826374712 1425476846 /nfs/dbraw/zinc/47/68/46/1425476846.db2.gz KHXGSSPHEMXEMK-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000171090362 1425477214 /nfs/dbraw/zinc/47/72/14/1425477214.db2.gz OYXWIVSNTMMLFT-UHFFFAOYSA-N -1 3 394.468 3.170 20 0 GGADHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CCC(C)(C)CC1 ZINC000821593991 1425549871 /nfs/dbraw/zinc/54/98/71/1425549871.db2.gz SSYYAZVLFDDZFK-UHFFFAOYSA-N -1 3 376.892 3.359 20 0 GGADHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CCC(C)(C)CC1 ZINC000821593991 1425549882 /nfs/dbraw/zinc/54/98/82/1425549882.db2.gz SSYYAZVLFDDZFK-UHFFFAOYSA-N -1 3 376.892 3.359 20 0 GGADHM Cc1cccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826296319 1425567699 /nfs/dbraw/zinc/56/76/99/1425567699.db2.gz RMCVWGQIYBEORG-UZLBHIALSA-N -1 3 390.491 3.330 20 0 GGADHM Cc1cccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826296319 1425567702 /nfs/dbraw/zinc/56/77/02/1425567702.db2.gz RMCVWGQIYBEORG-UZLBHIALSA-N -1 3 390.491 3.330 20 0 GGADHM O=C(NC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1)C1CC1 ZINC000171253612 1425572202 /nfs/dbraw/zinc/57/22/02/1425572202.db2.gz QNANJXMBMSMCMN-UHFFFAOYSA-N -1 3 378.472 3.114 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)c3ccc(Cl)cc3)c2)n1 ZINC000171274714 1425588754 /nfs/dbraw/zinc/58/87/54/1425588754.db2.gz AVVOSOCNGACRIZ-UHFFFAOYSA-N -1 3 381.819 3.474 20 0 GGADHM CCCN1CCC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825328420 1425596435 /nfs/dbraw/zinc/59/64/35/1425596435.db2.gz SAGBPKBTSLMGSQ-FQEVSTJZSA-N -1 3 390.491 3.024 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000171326827 1425619066 /nfs/dbraw/zinc/61/90/66/1425619066.db2.gz VCKBIGPLLGUKGS-UHFFFAOYSA-N -1 3 395.425 3.432 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccccc2N2CCCC2)c([O-])c1 ZINC000171398028 1425661467 /nfs/dbraw/zinc/66/14/67/1425661467.db2.gz YGTNJSPUGDUCFO-UHFFFAOYSA-N -1 3 395.503 3.079 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c([O-])c1 ZINC000171399778 1425662393 /nfs/dbraw/zinc/66/23/93/1425662393.db2.gz GJJLZKCJKDNBDM-CYBMUJFWSA-N -1 3 392.402 3.299 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000822757867 1425677687 /nfs/dbraw/zinc/67/76/87/1425677687.db2.gz GQNFKOXUBZSNLE-SNVBAGLBSA-N -1 3 395.364 3.127 20 0 GGADHM CN(C[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908494 1425681993 /nfs/dbraw/zinc/68/19/93/1425681993.db2.gz IORIGPPOEVAXSR-ZDUSSCGKSA-N -1 3 392.529 3.007 20 0 GGADHM CN(C[C@@H]1CCCN(Cc2cc(-c3nnn[n-]3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908494 1425682001 /nfs/dbraw/zinc/68/20/01/1425682001.db2.gz IORIGPPOEVAXSR-ZDUSSCGKSA-N -1 3 392.529 3.007 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccccc2)c2cccnc2)c([O-])c1 ZINC000171485376 1425701448 /nfs/dbraw/zinc/70/14/48/1425701448.db2.gz CWRABFKOWWGRDC-QFIPXVFZSA-N -1 3 389.455 3.121 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OCCCc3cnc4c(C)c(C)nn4c3)n[n-]2)o1 ZINC000171574734 1425742194 /nfs/dbraw/zinc/74/21/94/1425742194.db2.gz HGYBNNOVBCRCNG-UHFFFAOYSA-N -1 3 379.420 3.427 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OCCCc3cnc4c(C)c(C)nn4c3)[n-]n2)o1 ZINC000171574734 1425742199 /nfs/dbraw/zinc/74/21/99/1425742199.db2.gz HGYBNNOVBCRCNG-UHFFFAOYSA-N -1 3 379.420 3.427 20 0 GGADHM CC(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820068095 1425769612 /nfs/dbraw/zinc/76/96/12/1425769612.db2.gz NXLCUTYVPYBXSV-OLZOCXBDSA-N -1 3 388.541 3.112 20 0 GGADHM CC(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820068095 1425769616 /nfs/dbraw/zinc/76/96/16/1425769616.db2.gz NXLCUTYVPYBXSV-OLZOCXBDSA-N -1 3 388.541 3.112 20 0 GGADHM Cc1nnsc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000171732988 1425806272 /nfs/dbraw/zinc/80/62/72/1425806272.db2.gz KJYGJIWAPPUIHK-UHFFFAOYSA-N -1 3 388.474 3.208 20 0 GGADHM Fc1ccccc1-c1ccc(CNCCOc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822792243 1425810821 /nfs/dbraw/zinc/81/08/21/1425810821.db2.gz SJLJTRZWDHOEOS-UHFFFAOYSA-N -1 3 379.395 3.434 20 0 GGADHM Fc1ccccc1-c1ccc(CNCCOc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822792243 1425810834 /nfs/dbraw/zinc/81/08/34/1425810834.db2.gz SJLJTRZWDHOEOS-UHFFFAOYSA-N -1 3 379.395 3.434 20 0 GGADHM CCN(c1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1)C(C)C ZINC000171772905 1425816425 /nfs/dbraw/zinc/81/64/25/1425816425.db2.gz SOIHROJJJVUTAM-UHFFFAOYSA-N -1 3 389.521 3.424 20 0 GGADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000171955856 1425861140 /nfs/dbraw/zinc/86/11/40/1425861140.db2.gz ZMFZYGMOSBGLGQ-UHFFFAOYSA-N -1 3 386.473 3.403 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3ccc4c(c3)CCC4)[n-]c(=O)c12 ZINC000172129662 1425908875 /nfs/dbraw/zinc/90/88/75/1425908875.db2.gz OBSWZRHNDUWGCG-UHFFFAOYSA-N -1 3 381.457 3.194 20 0 GGADHM C[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)N1CCc2sccc2C1 ZINC000824433484 1425950746 /nfs/dbraw/zinc/95/07/46/1425950746.db2.gz FPNSZIIEKURODA-CYBMUJFWSA-N -1 3 391.504 3.335 20 0 GGADHM C[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)N1CCc2sccc2C1 ZINC000824433484 1425950747 /nfs/dbraw/zinc/95/07/47/1425950747.db2.gz FPNSZIIEKURODA-CYBMUJFWSA-N -1 3 391.504 3.335 20 0 GGADHM C[C@@H]1CSCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000172453529 1426046977 /nfs/dbraw/zinc/04/69/77/1426046977.db2.gz XZBJSFIKYMKQHX-CYBMUJFWSA-N -1 3 394.493 3.204 20 0 GGADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC000736470297 1426105705 /nfs/dbraw/zinc/10/57/05/1426105705.db2.gz MSJHYQBWJVENES-UHFFFAOYSA-N -1 3 384.871 3.371 20 0 GGADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000172600101 1426107545 /nfs/dbraw/zinc/10/75/45/1426107545.db2.gz KRWCHJJVNAHHJA-UHFFFAOYSA-N -1 3 399.303 3.279 20 0 GGADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1cnc(Cl)c(Cl)c1 ZINC000172600783 1426107746 /nfs/dbraw/zinc/10/77/46/1426107746.db2.gz DJSBBQGOJUDCLF-LBPRGKRZSA-N -1 3 377.224 3.330 20 0 GGADHM Cn1ccc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)cc21 ZINC000172606498 1426110457 /nfs/dbraw/zinc/11/04/57/1426110457.db2.gz RDQAXAHTXNGOSP-UHFFFAOYSA-N -1 3 387.436 3.010 20 0 GGADHM CC(C)N1CC[C@H](NCc2ccc(-c3nn[n-]n3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000824296278 1426112169 /nfs/dbraw/zinc/11/21/69/1426112169.db2.gz FYPDUZJRYRSOSH-FUHWJXTLSA-N -1 3 388.422 3.052 20 0 GGADHM CC(C)N1CC[C@H](NCc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000824296278 1426112172 /nfs/dbraw/zinc/11/21/72/1426112172.db2.gz FYPDUZJRYRSOSH-FUHWJXTLSA-N -1 3 388.422 3.052 20 0 GGADHM CCC[C@@H](C(=O)OCC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172651126 1426127913 /nfs/dbraw/zinc/12/79/13/1426127913.db2.gz SBGCWODJBCEBNO-INIZCTEOSA-N -1 3 382.888 3.428 20 0 GGADHM O=C(CCN1CCC[C@@H]1c1ccccn1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822963953 1426131073 /nfs/dbraw/zinc/13/10/73/1426131073.db2.gz BLCPJEKWROTMEG-QGZVFWFLSA-N -1 3 397.870 3.081 20 0 GGADHM Cc1cccc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826296369 1426198439 /nfs/dbraw/zinc/19/84/39/1426198439.db2.gz UCDBYYSLHFLVFH-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1cccc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826296369 1426198445 /nfs/dbraw/zinc/19/84/45/1426198445.db2.gz UCDBYYSLHFLVFH-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000172865439 1426228220 /nfs/dbraw/zinc/22/82/20/1426228220.db2.gz MOYUKOKASNRTGR-AWEZNQCLSA-N -1 3 396.878 3.096 20 0 GGADHM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000172886591 1426240236 /nfs/dbraw/zinc/24/02/36/1426240236.db2.gz KAOUVVRVSIOCMM-UHFFFAOYSA-N -1 3 394.468 3.175 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)cc(C)c1F ZINC000172895285 1426243753 /nfs/dbraw/zinc/24/37/53/1426243753.db2.gz SBGYLIITDMLIEN-OAHLLOKOSA-N -1 3 378.469 3.468 20 0 GGADHM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000172898994 1426245943 /nfs/dbraw/zinc/24/59/43/1426245943.db2.gz AQKQLNPBPSEGBX-UHFFFAOYSA-N -1 3 385.489 3.113 20 0 GGADHM O=S(=O)([N-]Nc1c(F)cc(F)cc1Br)c1ccc(F)cc1F ZINC000172900561 1426246423 /nfs/dbraw/zinc/24/64/23/1426246423.db2.gz JCHNDLWXDSVDBK-UHFFFAOYSA-N -1 3 399.163 3.311 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3C[C@@H]4[C@H](C3)C4(C)C)nc(=O)c2c1C ZINC000172950399 1426281529 /nfs/dbraw/zinc/28/15/29/1426281529.db2.gz NPLMDLZTELSQQX-UTUOFQBUSA-N -1 3 375.494 3.119 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCCC2)nc1)c1cc(F)c(F)c(F)c1 ZINC000173037974 1426318629 /nfs/dbraw/zinc/31/86/29/1426318629.db2.gz ZYJHMQICLKGMGE-UHFFFAOYSA-N -1 3 399.438 3.358 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820668326 1426355789 /nfs/dbraw/zinc/35/57/89/1426355789.db2.gz RPYWTGOESSJTTH-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668326 1426355795 /nfs/dbraw/zinc/35/57/95/1426355795.db2.gz RPYWTGOESSJTTH-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C)ccc2C)cc1 ZINC000173144736 1426363837 /nfs/dbraw/zinc/36/38/37/1426363837.db2.gz LKMISNSHMJNNTH-HNNXBMFYSA-N -1 3 388.489 3.429 20 0 GGADHM CCCC[C@H](C(=O)OC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000173222948 1426407329 /nfs/dbraw/zinc/40/73/29/1426407329.db2.gz QOYBECOPEODHEV-MRXNPFEDSA-N -1 3 382.888 3.428 20 0 GGADHM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1nnc2ccccc2c1[O-] ZINC000173224308 1426408486 /nfs/dbraw/zinc/40/84/86/1426408486.db2.gz FQTUFYHVDNIXCU-UHFFFAOYSA-N -1 3 397.847 3.271 20 0 GGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825013233 1426411463 /nfs/dbraw/zinc/41/14/63/1426411463.db2.gz NUMGEGXPAAIDFK-KGLIPLIRSA-N -1 3 394.454 3.342 20 0 GGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825013233 1426411465 /nfs/dbraw/zinc/41/14/65/1426411465.db2.gz NUMGEGXPAAIDFK-KGLIPLIRSA-N -1 3 394.454 3.342 20 0 GGADHM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccccc2[N-]S(C)(=O)=O)s1 ZINC000173276691 1426454907 /nfs/dbraw/zinc/45/49/07/1426454907.db2.gz BTYWKHFPTXSWJB-MDZDMXLPSA-N -1 3 379.507 3.464 20 0 GGADHM c1nc2ccccn2c1CNCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826518918 1426494134 /nfs/dbraw/zinc/49/41/34/1426494134.db2.gz CNAWOHIRMWTPJI-UHFFFAOYSA-N -1 3 381.443 3.471 20 0 GGADHM c1nc2ccccn2c1CNCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826518918 1426494136 /nfs/dbraw/zinc/49/41/36/1426494136.db2.gz CNAWOHIRMWTPJI-UHFFFAOYSA-N -1 3 381.443 3.471 20 0 GGADHM CCc1nnc(-c2cccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])c2)o1 ZINC000173315197 1426498552 /nfs/dbraw/zinc/49/85/52/1426498552.db2.gz MROYCQHBCHRWAB-UHFFFAOYSA-N -1 3 394.431 3.072 20 0 GGADHM COC(=O)C(C)(C)[C@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826098725 1426505216 /nfs/dbraw/zinc/50/52/16/1426505216.db2.gz MZRPRVGZXWIYPR-QGZVFWFLSA-N -1 3 383.427 3.036 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000826283298 1426529561 /nfs/dbraw/zinc/52/95/61/1426529561.db2.gz OCHKMIPZMLHHGI-KGLIPLIRSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000826283298 1426529562 /nfs/dbraw/zinc/52/95/62/1426529562.db2.gz OCHKMIPZMLHHGI-KGLIPLIRSA-N -1 3 382.468 3.371 20 0 GGADHM CCC[C@@H](C)c1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)n[nH]1 ZINC000173352771 1426529698 /nfs/dbraw/zinc/52/96/98/1426529698.db2.gz CPDOWKATGBMTHW-CYBMUJFWSA-N -1 3 394.479 3.338 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)o1 ZINC000173353198 1426529965 /nfs/dbraw/zinc/52/99/65/1426529965.db2.gz RXPTXMGHCYFZRP-GOSISDBHSA-N -1 3 390.461 3.471 20 0 GGADHM c1cc(-c2nn[n-]n2)cc(C2(NCc3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1 ZINC000826513411 1426588581 /nfs/dbraw/zinc/58/85/81/1426588581.db2.gz KTTRWKHENOKZSG-FQEVSTJZSA-N -1 3 391.475 3.203 20 0 GGADHM c1cc(-c2nnn[n-]2)cc(C2(NCc3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1 ZINC000826513411 1426588584 /nfs/dbraw/zinc/58/85/84/1426588584.db2.gz KTTRWKHENOKZSG-FQEVSTJZSA-N -1 3 391.475 3.203 20 0 GGADHM Fc1c(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cccc1-c1nnn[n-]1 ZINC000826371004 1426604358 /nfs/dbraw/zinc/60/43/58/1426604358.db2.gz OUTUDZALBIYCHO-UHFFFAOYSA-N -1 3 395.438 3.336 20 0 GGADHM Fc1c(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cccc1-c1nn[n-]n1 ZINC000826371004 1426604361 /nfs/dbraw/zinc/60/43/61/1426604361.db2.gz OUTUDZALBIYCHO-UHFFFAOYSA-N -1 3 395.438 3.336 20 0 GGADHM C[C@H](NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584900 1426660417 /nfs/dbraw/zinc/66/04/17/1426660417.db2.gz JHFXGIJFBIAIEE-DZGCQCFKSA-N -1 3 375.448 3.122 20 0 GGADHM C[C@H](NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584900 1426660421 /nfs/dbraw/zinc/66/04/21/1426660421.db2.gz JHFXGIJFBIAIEE-DZGCQCFKSA-N -1 3 375.448 3.122 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(F)ccc1NC(C)C ZINC000173510556 1426679914 /nfs/dbraw/zinc/67/99/14/1426679914.db2.gz KJZKXUJXIJBMRT-UHFFFAOYSA-N -1 3 395.438 3.281 20 0 GGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000820563731 1426694958 /nfs/dbraw/zinc/69/49/58/1426694958.db2.gz UNZOVGWBCLRLEL-QGTPRVQTSA-N -1 3 398.511 3.402 20 0 GGADHM COC(=O)CCN(Cn1c(CCC2CCCC2)n[n-]c1=S)C1CCOCC1 ZINC000173534965 1426710951 /nfs/dbraw/zinc/71/09/51/1426710951.db2.gz MBZAWZKIRSIBQC-UHFFFAOYSA-N -1 3 396.557 3.065 20 0 GGADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000173554694 1426726871 /nfs/dbraw/zinc/72/68/71/1426726871.db2.gz RWTOELNKCINXAT-GOSISDBHSA-N -1 3 391.471 3.095 20 0 GGADHM C[C@@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824555873 1426728511 /nfs/dbraw/zinc/72/85/11/1426728511.db2.gz YMTWYFNXTNXGSC-QRWLVFNGSA-N -1 3 390.491 3.053 20 0 GGADHM C[C@@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824555873 1426728518 /nfs/dbraw/zinc/72/85/18/1426728518.db2.gz YMTWYFNXTNXGSC-QRWLVFNGSA-N -1 3 390.491 3.053 20 0 GGADHM O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737891197 1426728902 /nfs/dbraw/zinc/72/89/02/1426728902.db2.gz IFPZHQLNGBGJMY-SFHVURJKSA-N -1 3 382.855 3.200 20 0 GGADHM O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737891197 1426728905 /nfs/dbraw/zinc/72/89/05/1426728905.db2.gz IFPZHQLNGBGJMY-SFHVURJKSA-N -1 3 382.855 3.200 20 0 GGADHM CCCN(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)CC1CC1 ZINC000821088112 1426772696 /nfs/dbraw/zinc/77/26/96/1426772696.db2.gz JRLBKEZQCXPTJU-UHFFFAOYSA-N -1 3 388.541 3.258 20 0 GGADHM CCCN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)CC1CC1 ZINC000821088112 1426772700 /nfs/dbraw/zinc/77/27/00/1426772700.db2.gz JRLBKEZQCXPTJU-UHFFFAOYSA-N -1 3 388.541 3.258 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000822238642 1426796927 /nfs/dbraw/zinc/79/69/27/1426796927.db2.gz PDOHDUNEBHMSML-IRXDYDNUSA-N -1 3 393.491 3.441 20 0 GGADHM COc1ccc([C@@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000821777668 1426797100 /nfs/dbraw/zinc/79/71/00/1426797100.db2.gz KVHGYSSAOVZGCR-CHWSQXEVSA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc([C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000821777668 1426797104 /nfs/dbraw/zinc/79/71/04/1426797104.db2.gz KVHGYSSAOVZGCR-CHWSQXEVSA-N -1 3 380.452 3.246 20 0 GGADHM Cc1ccc(-c2nc(CCNCc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000822214070 1426808016 /nfs/dbraw/zinc/80/80/16/1426808016.db2.gz NWJFXIYWTNMVHN-UHFFFAOYSA-N -1 3 378.411 3.302 20 0 GGADHM Cc1ccc(-c2nc(CCNCc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000822214070 1426808023 /nfs/dbraw/zinc/80/80/23/1426808023.db2.gz NWJFXIYWTNMVHN-UHFFFAOYSA-N -1 3 378.411 3.302 20 0 GGADHM COc1cccc(CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@@H]2CCCO2)c1 ZINC000737130927 1426838519 /nfs/dbraw/zinc/83/85/19/1426838519.db2.gz JAUWOQKDIGRTNN-IBGZPJMESA-N -1 3 397.454 3.196 20 0 GGADHM COc1cccc(CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@@H]2CCCO2)c1 ZINC000737130927 1426838531 /nfs/dbraw/zinc/83/85/31/1426838531.db2.gz JAUWOQKDIGRTNN-IBGZPJMESA-N -1 3 397.454 3.196 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000173823738 1426861010 /nfs/dbraw/zinc/86/10/10/1426861010.db2.gz YREWLZUAFYUIHM-UHFFFAOYSA-N -1 3 380.869 3.061 20 0 GGADHM CC[C@H]1Oc2cc([C@@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)ccc2NC1=O ZINC000173840605 1426866801 /nfs/dbraw/zinc/86/68/01/1426866801.db2.gz CDMSKIMKXVBKGP-MEBBXXQBSA-N -1 3 396.415 3.114 20 0 GGADHM c1coc([C@H](CNc2cc(-c3nnn[n-]3)c3ccccc3n2)N2CCCC2)c1 ZINC000738448289 1426929023 /nfs/dbraw/zinc/92/90/23/1426929023.db2.gz NMUNIPQPOFBSPN-KRWDZBQOSA-N -1 3 375.436 3.257 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)[C@@H]1c1ccccc1 ZINC000173995111 1426932950 /nfs/dbraw/zinc/93/29/50/1426932950.db2.gz FSSMDVFNLCOUTE-YJYMSZOUSA-N -1 3 388.464 3.100 20 0 GGADHM CCC[C@]1(C)CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000174003098 1426936770 /nfs/dbraw/zinc/93/67/70/1426936770.db2.gz SHUKLICIHVYGOP-LJQANCHMSA-N -1 3 377.510 3.482 20 0 GGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000174004572 1426937810 /nfs/dbraw/zinc/93/78/10/1426937810.db2.gz POJBFLGNOZZJSW-OAHLLOKOSA-N -1 3 378.469 3.328 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1CC(F)(F)F ZINC000174007797 1426939809 /nfs/dbraw/zinc/93/98/09/1426939809.db2.gz LRYKFXFEBNLOMY-UHFFFAOYSA-N -1 3 381.354 3.049 20 0 GGADHM Cc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826305993 1426950193 /nfs/dbraw/zinc/95/01/93/1426950193.db2.gz NOVRBTUYAYDPOA-LIRRHRJNSA-N -1 3 376.464 3.243 20 0 GGADHM Cc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826305993 1426950198 /nfs/dbraw/zinc/95/01/98/1426950198.db2.gz NOVRBTUYAYDPOA-LIRRHRJNSA-N -1 3 376.464 3.243 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000174033761 1426957045 /nfs/dbraw/zinc/95/70/45/1426957045.db2.gz UEKQHWHEMBJLGF-LLVKDONJSA-N -1 3 393.852 3.438 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000174033751 1426957143 /nfs/dbraw/zinc/95/71/43/1426957143.db2.gz UEKQHWHEMBJLGF-NSHDSACASA-N -1 3 393.852 3.438 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3CCCCC3)n2)c1 ZINC000174034572 1426958162 /nfs/dbraw/zinc/95/81/62/1426958162.db2.gz JMJYUBUHUPYZOW-CYBMUJFWSA-N -1 3 379.482 3.306 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000174035476 1426958782 /nfs/dbraw/zinc/95/87/82/1426958782.db2.gz XTFRTYQDKGLFGN-SECBINFHSA-N -1 3 393.387 3.305 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000174043274 1426966316 /nfs/dbraw/zinc/96/63/16/1426966316.db2.gz DJGHUKUDFDJLIQ-SNVBAGLBSA-N -1 3 396.831 3.105 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)ccc1C ZINC000174045809 1426969259 /nfs/dbraw/zinc/96/92/59/1426969259.db2.gz GHMNICQOYXIJCQ-UHFFFAOYSA-N -1 3 388.489 3.491 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H](N2CCCC2)C1 ZINC000823826638 1427000427 /nfs/dbraw/zinc/00/04/27/1427000427.db2.gz LZLOQQOOIYTDIP-AWEZNQCLSA-N -1 3 391.317 3.084 20 0 GGADHM Cc1ccccc1[C@@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826306324 1427060601 /nfs/dbraw/zinc/06/06/01/1427060601.db2.gz VZVPBKLHOBHLFV-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1ccccc1[C@@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826306324 1427060606 /nfs/dbraw/zinc/06/06/06/1427060606.db2.gz VZVPBKLHOBHLFV-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)C[C@@H]21 ZINC000174246804 1427068416 /nfs/dbraw/zinc/06/84/16/1427068416.db2.gz YZENVLPRIPDAHI-IYBDPMFKSA-N -1 3 388.464 3.355 20 0 GGADHM C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736130620 1427125348 /nfs/dbraw/zinc/12/53/48/1427125348.db2.gz HUNTTXMXIBAPIS-ORAYPTAESA-N -1 3 394.454 3.464 20 0 GGADHM C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736130620 1427125351 /nfs/dbraw/zinc/12/53/51/1427125351.db2.gz HUNTTXMXIBAPIS-ORAYPTAESA-N -1 3 394.454 3.464 20 0 GGADHM Fc1ccc(N2CC[C@@H](NCc3ccc(-c4nn[n-]n4)cc3F)C2)cc1Cl ZINC000826375218 1427142055 /nfs/dbraw/zinc/14/20/55/1427142055.db2.gz DHTNRXDNDHHFER-CYBMUJFWSA-N -1 3 390.825 3.167 20 0 GGADHM Fc1ccc(N2CC[C@@H](NCc3ccc(-c4nnn[n-]4)cc3F)C2)cc1Cl ZINC000826375218 1427142059 /nfs/dbraw/zinc/14/20/59/1427142059.db2.gz DHTNRXDNDHHFER-CYBMUJFWSA-N -1 3 390.825 3.167 20 0 GGADHM COc1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826194173 1427166566 /nfs/dbraw/zinc/16/65/66/1427166566.db2.gz DCIFGPNKTBRCNF-IBGZPJMESA-N -1 3 393.491 3.099 20 0 GGADHM COc1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826194173 1427166569 /nfs/dbraw/zinc/16/65/69/1427166569.db2.gz DCIFGPNKTBRCNF-IBGZPJMESA-N -1 3 393.491 3.099 20 0 GGADHM O[C@@](CNCc1ccc(-c2nn[n-]n2)cc1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000823681826 1427167197 /nfs/dbraw/zinc/16/71/97/1427167197.db2.gz LBBNMTGQQYQQJT-INIZCTEOSA-N -1 3 397.788 3.060 20 0 GGADHM CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cs1 ZINC000174548080 1427217314 /nfs/dbraw/zinc/21/73/14/1427217314.db2.gz FGQBXLVTASZXMJ-HNNXBMFYSA-N -1 3 389.521 3.213 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000826168679 1427257325 /nfs/dbraw/zinc/25/73/25/1427257325.db2.gz UUIGIBYTNFYFDS-UHFFFAOYSA-N -1 3 385.512 3.435 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000826168679 1427257331 /nfs/dbraw/zinc/25/73/31/1427257331.db2.gz UUIGIBYTNFYFDS-UHFFFAOYSA-N -1 3 385.512 3.435 20 0 GGADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000174627187 1427273414 /nfs/dbraw/zinc/27/34/14/1427273414.db2.gz VBRSEHZWPJKDDJ-SFHVURJKSA-N -1 3 376.403 3.285 20 0 GGADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820056153 1427290827 /nfs/dbraw/zinc/29/08/27/1427290827.db2.gz NCDNHFMZCRSZCO-OAHLLOKOSA-N -1 3 392.479 3.035 20 0 GGADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820056153 1427290835 /nfs/dbraw/zinc/29/08/35/1427290835.db2.gz NCDNHFMZCRSZCO-OAHLLOKOSA-N -1 3 392.479 3.035 20 0 GGADHM COc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000826193632 1427308236 /nfs/dbraw/zinc/30/82/36/1427308236.db2.gz JNIQMFZJOIHLKC-GOSISDBHSA-N -1 3 379.464 3.057 20 0 GGADHM COc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826193632 1427308239 /nfs/dbraw/zinc/30/82/39/1427308239.db2.gz JNIQMFZJOIHLKC-GOSISDBHSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)O1 ZINC000174705047 1427320047 /nfs/dbraw/zinc/32/00/47/1427320047.db2.gz VSJKEUYAYWOJDY-JQWIXIFHSA-N -1 3 394.415 3.363 20 0 GGADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1nnc2ccccc2c1[O-] ZINC000174709083 1427323089 /nfs/dbraw/zinc/32/30/89/1427323089.db2.gz PDORKNRHLUHBJN-UHFFFAOYSA-N -1 3 390.374 3.289 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000737420267 1427358839 /nfs/dbraw/zinc/35/88/39/1427358839.db2.gz FAZFUKKZYWSWOT-LJQANCHMSA-N -1 3 385.475 3.486 20 0 GGADHM COCCCCN(Cc1ccccc1)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000826156271 1427373029 /nfs/dbraw/zinc/37/30/29/1427373029.db2.gz WFMZZZLDTAZWSI-UHFFFAOYSA-N -1 3 381.480 3.304 20 0 GGADHM Cc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(O[C@H]2CCOC2)c1 ZINC000822238508 1427399392 /nfs/dbraw/zinc/39/93/92/1427399392.db2.gz KKOBYDJUHJOEJM-BEFAXECRSA-N -1 3 379.464 3.194 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000174870066 1427419495 /nfs/dbraw/zinc/41/94/95/1427419495.db2.gz VXVISSUWTXARFW-UHFFFAOYSA-N -1 3 378.425 3.005 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820759047 1427424268 /nfs/dbraw/zinc/42/42/68/1427424268.db2.gz HDXKYKCZGIIVMM-BETUJISGSA-N -1 3 398.433 3.187 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820759047 1427424269 /nfs/dbraw/zinc/42/42/69/1427424269.db2.gz HDXKYKCZGIIVMM-BETUJISGSA-N -1 3 398.433 3.187 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)[C@H](C)c1ccccc1 ZINC000174889423 1427429179 /nfs/dbraw/zinc/42/91/79/1427429179.db2.gz HHZJBSNGIWFETN-DLBZAZTESA-N -1 3 381.476 3.052 20 0 GGADHM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000174889073 1427429249 /nfs/dbraw/zinc/42/92/49/1427429249.db2.gz QONZGHVDERDGQJ-OAHLLOKOSA-N -1 3 392.814 3.437 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000822486396 1427431385 /nfs/dbraw/zinc/43/13/85/1427431385.db2.gz IMVWUHUXSXZVEG-UHFFFAOYSA-N -1 3 379.855 3.304 20 0 GGADHM COc1ccc(CN[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000821805307 1427436385 /nfs/dbraw/zinc/43/63/85/1427436385.db2.gz SUXJGKMRCQHUTJ-INIZCTEOSA-N -1 3 383.427 3.406 20 0 GGADHM COc1ccc(CN[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC000821805307 1427436387 /nfs/dbraw/zinc/43/63/87/1427436387.db2.gz SUXJGKMRCQHUTJ-INIZCTEOSA-N -1 3 383.427 3.406 20 0 GGADHM C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824613593 1427446708 /nfs/dbraw/zinc/44/67/08/1427446708.db2.gz VLTOLXOVYGRARS-LBPRGKRZSA-N -1 3 381.390 3.181 20 0 GGADHM C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824613593 1427446713 /nfs/dbraw/zinc/44/67/13/1427446713.db2.gz VLTOLXOVYGRARS-LBPRGKRZSA-N -1 3 381.390 3.181 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000174924988 1427448075 /nfs/dbraw/zinc/44/80/75/1427448075.db2.gz KUSRJMUHGUOPPY-UHFFFAOYSA-N -1 3 384.451 3.011 20 0 GGADHM CC[C@H](NCc1cccc(C(=O)OC)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000825149182 1427483995 /nfs/dbraw/zinc/48/39/95/1427483995.db2.gz WNMLQHYDLIBYFN-INIZCTEOSA-N -1 3 387.390 3.172 20 0 GGADHM C[C@@H](NCCOc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824599779 1427494996 /nfs/dbraw/zinc/49/49/96/1427494996.db2.gz SJKDILAUOPUBJX-SECBINFHSA-N -1 3 397.241 3.437 20 0 GGADHM C[C@@H](NCCOc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824599779 1427495001 /nfs/dbraw/zinc/49/50/01/1427495001.db2.gz SJKDILAUOPUBJX-SECBINFHSA-N -1 3 397.241 3.437 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000175029636 1427508622 /nfs/dbraw/zinc/50/86/22/1427508622.db2.gz RVFLRPXRWWQFPV-UHFFFAOYSA-N -1 3 381.417 3.189 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)C3CCCCC3)c2)n1 ZINC000175055123 1427522364 /nfs/dbraw/zinc/52/23/64/1427522364.db2.gz AVPWIRXQEDCYPJ-CQSZACIVSA-N -1 3 396.491 3.023 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000175124686 1427559870 /nfs/dbraw/zinc/55/98/70/1427559870.db2.gz MCSRBQAAGDBXIT-HNNXBMFYSA-N -1 3 389.883 3.243 20 0 GGADHM COc1cc(F)cc2sc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)nc21 ZINC000175141091 1427566525 /nfs/dbraw/zinc/56/65/25/1427566525.db2.gz GVIOPDSQXYFUQR-UHFFFAOYSA-N -1 3 390.440 3.386 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000175190250 1427590987 /nfs/dbraw/zinc/59/09/87/1427590987.db2.gz FTCVMGAIUWYADS-OAHLLOKOSA-N -1 3 391.830 3.180 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000175192096 1427592032 /nfs/dbraw/zinc/59/20/32/1427592032.db2.gz FBIFVNPRGBSVJS-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nc(C)cs2)c(Cl)cc1Cl ZINC000175203278 1427598122 /nfs/dbraw/zinc/59/81/22/1427598122.db2.gz LSWHBWDHBYFIIY-UHFFFAOYSA-N -1 3 395.289 3.023 20 0 GGADHM Cc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826306282 1427606689 /nfs/dbraw/zinc/60/66/89/1427606689.db2.gz UZAASSCVNKQKQP-LIRRHRJNSA-N -1 3 376.464 3.243 20 0 GGADHM Cc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826306282 1427606693 /nfs/dbraw/zinc/60/66/93/1427606693.db2.gz UZAASSCVNKQKQP-LIRRHRJNSA-N -1 3 376.464 3.243 20 0 GGADHM CC[C@H](NCCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000825142470 1427607441 /nfs/dbraw/zinc/60/74/41/1427607441.db2.gz SEOKBAIYRZAHEI-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM CC[C@H](NCCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000825142470 1427607444 /nfs/dbraw/zinc/60/74/44/1427607444.db2.gz SEOKBAIYRZAHEI-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H](CN2CCOCC2)C1 ZINC000175230940 1427614897 /nfs/dbraw/zinc/61/48/97/1427614897.db2.gz OZQUTEYAVYVUCZ-HNNXBMFYSA-N -1 3 388.895 3.383 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736348979 1427623610 /nfs/dbraw/zinc/62/36/10/1427623610.db2.gz CKCRSQAQMDHLEA-MRXNPFEDSA-N -1 3 398.898 3.412 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OCc3nc(Cc4ccc(F)cc4)no3)n[n-]2)o1 ZINC000175278567 1427643575 /nfs/dbraw/zinc/64/35/75/1427643575.db2.gz LOGAUILAJQEGQT-UHFFFAOYSA-N -1 3 382.351 3.448 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OCc3nc(Cc4ccc(F)cc4)no3)[n-]n2)o1 ZINC000175278567 1427643582 /nfs/dbraw/zinc/64/35/82/1427643582.db2.gz LOGAUILAJQEGQT-UHFFFAOYSA-N -1 3 382.351 3.448 20 0 GGADHM c1cc(OCCCN2CCC[C@H]2c2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)c1 ZINC000823762406 1427694162 /nfs/dbraw/zinc/69/41/62/1427694162.db2.gz OFRXIHKEBRHMFD-SFHVURJKSA-N -1 3 393.447 3.201 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c2ccccc21)c1ccc(C)o1 ZINC000175350937 1427699239 /nfs/dbraw/zinc/69/92/39/1427699239.db2.gz LAHMEIAVHIPCGF-MRXNPFEDSA-N -1 3 375.446 3.416 20 0 GGADHM CN(C)[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(F)c1 ZINC000736761048 1427700146 /nfs/dbraw/zinc/70/01/46/1427700146.db2.gz TWAHRCFXCSCSDM-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM CN(C)[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(F)c1 ZINC000736761048 1427700150 /nfs/dbraw/zinc/70/01/50/1427700150.db2.gz TWAHRCFXCSCSDM-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c(=O)[n-]1 ZINC000175390168 1427726650 /nfs/dbraw/zinc/72/66/50/1427726650.db2.gz FWVZRZMZYHVAKV-UHFFFAOYSA-N -1 3 396.491 3.477 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2ncc(I)n2c1 ZINC000175424023 1427747178 /nfs/dbraw/zinc/74/71/78/1427747178.db2.gz FQNWRLJLIYTBQE-UHFFFAOYSA-N -1 3 397.147 3.036 20 0 GGADHM C[C@@H](NCC(=O)N(C1CC1)C1CCC(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824919826 1427762570 /nfs/dbraw/zinc/76/25/70/1427762570.db2.gz ZJZVMNKIBMUFQE-SWKXRBFHSA-N -1 3 382.512 3.087 20 0 GGADHM Cc1cc(N2CCC(NC(=O)c3cc4ccccc4cc3[O-])CC2)nc(C)n1 ZINC000175469609 1427772103 /nfs/dbraw/zinc/77/21/03/1427772103.db2.gz RKDXJKLXLOWJJX-UHFFFAOYSA-N -1 3 376.460 3.351 20 0 GGADHM CCc1ccc(-c2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)o2)cc1 ZINC000175485648 1427780810 /nfs/dbraw/zinc/78/08/10/1427780810.db2.gz TZMPHIXTOPIXBO-UHFFFAOYSA-N -1 3 378.428 3.374 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1 ZINC000175485475 1427781050 /nfs/dbraw/zinc/78/10/50/1427781050.db2.gz HZMFEPXHQDHRDI-SJORKVTESA-N -1 3 393.270 3.349 20 0 GGADHM CSC(C)(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000175499450 1427791253 /nfs/dbraw/zinc/79/12/53/1427791253.db2.gz HTARHBKRTPJIJX-UHFFFAOYSA-N -1 3 396.509 3.498 20 0 GGADHM Clc1ccc([C@H](NCc2cnc3ccc(-c4nn[n-]n4)cn23)C2CC2)cc1 ZINC000737571136 1427816169 /nfs/dbraw/zinc/81/61/69/1427816169.db2.gz SZALQTYWKREDEV-GOSISDBHSA-N -1 3 379.855 3.409 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826505790 1427816085 /nfs/dbraw/zinc/81/60/85/1427816085.db2.gz FNOKNAVHGXVMSC-WBVHZDCISA-N -1 3 389.381 3.193 20 0 GGADHM Clc1ccc([C@H](NCc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)cc1 ZINC000737571136 1427816177 /nfs/dbraw/zinc/81/61/77/1427816177.db2.gz SZALQTYWKREDEV-GOSISDBHSA-N -1 3 379.855 3.409 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc3ccccc3nc2Cl)c(C)o1 ZINC000175577951 1427820748 /nfs/dbraw/zinc/82/07/48/1427820748.db2.gz RBWMMRNBHKAXPA-UHFFFAOYSA-N -1 3 394.836 3.055 20 0 GGADHM C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824539903 1427825410 /nfs/dbraw/zinc/82/54/10/1427825410.db2.gz QUVPHFPHGOCJEC-AFAVFJNCSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824539903 1427825414 /nfs/dbraw/zinc/82/54/14/1427825414.db2.gz QUVPHFPHGOCJEC-AFAVFJNCSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](NCCOc1ccc(-c2nn[n-]n2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000824599750 1427859216 /nfs/dbraw/zinc/85/92/16/1427859216.db2.gz ROGSYCCHYKWOGR-LBPRGKRZSA-N -1 3 397.870 3.136 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1F ZINC000175697358 1427862059 /nfs/dbraw/zinc/86/20/59/1427862059.db2.gz OMPYMSZIPPXXKP-UHFFFAOYSA-N -1 3 391.449 3.110 20 0 GGADHM CCCCCOCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768861 1427885840 /nfs/dbraw/zinc/88/58/40/1427885840.db2.gz OIEHCYDARAMBFM-UHFFFAOYSA-N -1 3 382.888 3.430 20 0 GGADHM O=C(CCC1CCOCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768595 1427886053 /nfs/dbraw/zinc/88/60/53/1427886053.db2.gz XQCCKJVLUOBGQC-UHFFFAOYSA-N -1 3 394.899 3.430 20 0 GGADHM C[C@H](OCC1CC1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768819 1427886117 /nfs/dbraw/zinc/88/61/17/1427886117.db2.gz INWJRICXNMYRDG-LBPRGKRZSA-N -1 3 380.872 3.038 20 0 GGADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175770161 1427886715 /nfs/dbraw/zinc/88/67/15/1427886715.db2.gz ZKKCROOSMVNRMU-UHFFFAOYSA-N -1 3 392.503 3.215 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(NC(=O)NC(C)C)cc2)c(F)cc1F ZINC000175785056 1427891908 /nfs/dbraw/zinc/89/19/08/1427891908.db2.gz YQGKQPSIFDMGDL-UHFFFAOYSA-N -1 3 397.447 3.282 20 0 GGADHM COc1ccc(CN2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000737090786 1427900266 /nfs/dbraw/zinc/90/02/66/1427900266.db2.gz MKIMRXZQEWQAAZ-UHFFFAOYSA-N -1 3 398.898 3.241 20 0 GGADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000737343838 1427903616 /nfs/dbraw/zinc/90/36/16/1427903616.db2.gz VIUNFAPTKVGBLE-UHFFFAOYSA-N -1 3 387.491 3.327 20 0 GGADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1cccc(-c2nnn[n-]2)c1 ZINC000737343838 1427903618 /nfs/dbraw/zinc/90/36/18/1427903618.db2.gz VIUNFAPTKVGBLE-UHFFFAOYSA-N -1 3 387.491 3.327 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C(=O)c1cnn(-c2ccccc2)c1 ZINC000175817169 1427908426 /nfs/dbraw/zinc/90/84/26/1427908426.db2.gz MERVEVJIWRDCRV-UHFFFAOYSA-N -1 3 375.306 3.418 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000735832355 1427911361 /nfs/dbraw/zinc/91/13/61/1427911361.db2.gz ZTJDBJLILGAVOY-LJQANCHMSA-N -1 3 387.434 3.337 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000735832355 1427911364 /nfs/dbraw/zinc/91/13/64/1427911364.db2.gz ZTJDBJLILGAVOY-LJQANCHMSA-N -1 3 387.434 3.337 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000175847879 1427929765 /nfs/dbraw/zinc/92/97/65/1427929765.db2.gz YIJZKYJOEOFMNY-ZBFHGGJFSA-N -1 3 380.460 3.296 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000175847907 1427930017 /nfs/dbraw/zinc/93/00/17/1427930017.db2.gz YIJZKYJOEOFMNY-HOCLYGCPSA-N -1 3 380.460 3.296 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175868378 1427942306 /nfs/dbraw/zinc/94/23/06/1427942306.db2.gz VQOILARUDLIKMT-SECBINFHSA-N -1 3 399.259 3.478 20 0 GGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000175878806 1427947974 /nfs/dbraw/zinc/94/79/74/1427947974.db2.gz YPRNKRCBHXJNEO-AWEZNQCLSA-N -1 3 378.469 3.175 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(O[C@H]2CCOC2)c1 ZINC000826288532 1427957326 /nfs/dbraw/zinc/95/73/26/1427957326.db2.gz LLSJKFSUPJSDMT-BEFAXECRSA-N -1 3 379.464 3.194 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(O[C@H]2CCOC2)c1 ZINC000826288532 1427957331 /nfs/dbraw/zinc/95/73/31/1427957331.db2.gz LLSJKFSUPJSDMT-BEFAXECRSA-N -1 3 379.464 3.194 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c(C)o1 ZINC000175900028 1427959836 /nfs/dbraw/zinc/95/98/36/1427959836.db2.gz KMDXEMXIUQEQEE-MRXNPFEDSA-N -1 3 376.478 3.039 20 0 GGADHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCN(C)C)c2ccccc2)n1 ZINC000175901404 1427960415 /nfs/dbraw/zinc/96/04/15/1427960415.db2.gz IORALCKGTZBMFR-UHFFFAOYSA-N -1 3 382.439 3.234 20 0 GGADHM CC(C)[C@H](C)NC(=O)CN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824554315 1427962351 /nfs/dbraw/zinc/96/23/51/1427962351.db2.gz OOWTZFGYNXXWCC-JKSUJKDBSA-N -1 3 392.507 3.345 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(SC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826179526 1427976267 /nfs/dbraw/zinc/97/62/67/1427976267.db2.gz RTVUMXJLXAZHLZ-UHFFFAOYSA-N -1 3 385.493 3.238 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(SC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826179526 1427976270 /nfs/dbraw/zinc/97/62/70/1427976270.db2.gz RTVUMXJLXAZHLZ-UHFFFAOYSA-N -1 3 385.493 3.238 20 0 GGADHM C[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)cs2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824948698 1427980019 /nfs/dbraw/zinc/98/00/19/1427980019.db2.gz VAJADYTYGZTUKS-SWLSCSKDSA-N -1 3 392.529 3.053 20 0 GGADHM C[C@H]1CCCN(Cc2cc(-c3nnn[n-]3)cs2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824948698 1427980023 /nfs/dbraw/zinc/98/00/23/1427980023.db2.gz VAJADYTYGZTUKS-SWLSCSKDSA-N -1 3 392.529 3.053 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)c(C)o1 ZINC000175938319 1427983900 /nfs/dbraw/zinc/98/39/00/1427983900.db2.gz MJFSMHQQXUQFSB-UHFFFAOYSA-N -1 3 391.474 3.180 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3-c3ccccc3C2)c(C)o1 ZINC000175942490 1427986615 /nfs/dbraw/zinc/98/66/15/1427986615.db2.gz RNHFTRUSMKNWOW-UHFFFAOYSA-N -1 3 396.468 3.319 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccncc3)ccc2C)c(C)o1 ZINC000175943262 1427987348 /nfs/dbraw/zinc/98/73/48/1427987348.db2.gz JMONBMFOLUZWIB-UHFFFAOYSA-N -1 3 385.445 3.119 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(-c3cccc(C)c3)c2)c(C)o1 ZINC000175951734 1427993220 /nfs/dbraw/zinc/99/32/20/1427993220.db2.gz VJSCUDFYAGVGAS-UHFFFAOYSA-N -1 3 398.484 3.402 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(C)c3)CCCC2)c(C)o1 ZINC000175967110 1428003081 /nfs/dbraw/zinc/00/30/81/1428003081.db2.gz MDNXTYYDJZBEJU-UHFFFAOYSA-N -1 3 376.478 3.004 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(c2ccccc2)c2ccccc2)c(C)o1 ZINC000175996161 1428019110 /nfs/dbraw/zinc/01/91/10/1428019110.db2.gz ZDPFZIYVRJHQIO-UHFFFAOYSA-N -1 3 398.484 3.190 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c(C)o1 ZINC000176001117 1428021670 /nfs/dbraw/zinc/02/16/70/1428021670.db2.gz IIRNWBUHVRZFNL-QGZVFWFLSA-N -1 3 396.896 3.421 20 0 GGADHM O=C(CCN1CCC[C@H]1c1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737844734 1428030290 /nfs/dbraw/zinc/03/02/90/1428030290.db2.gz VOQCYBYCTSLSDR-SFHVURJKSA-N -1 3 398.417 3.311 20 0 GGADHM CCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825284998 1428041637 /nfs/dbraw/zinc/04/16/37/1428041637.db2.gz GBASEGIJUIGHAV-CVEARBPZSA-N -1 3 392.507 3.489 20 0 GGADHM CCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825284998 1428041644 /nfs/dbraw/zinc/04/16/44/1428041644.db2.gz GBASEGIJUIGHAV-CVEARBPZSA-N -1 3 392.507 3.489 20 0 GGADHM Cc1nc(C)c(CCC(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2C)c(=O)[n-]1 ZINC000176049767 1428049687 /nfs/dbraw/zinc/04/96/87/1428049687.db2.gz MAKNGMYHFDWZPR-NSHDSACASA-N -1 3 388.855 3.164 20 0 GGADHM CC[C@H](C)Oc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000176130135 1428104557 /nfs/dbraw/zinc/10/45/57/1428104557.db2.gz TXLXHSQRZBUAIA-INIZCTEOSA-N -1 3 382.460 3.168 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)c(F)cc2F)cc1OC ZINC000176132028 1428106562 /nfs/dbraw/zinc/10/65/62/1428106562.db2.gz RDAIJFZOBPTSNB-UHFFFAOYSA-N -1 3 384.404 3.296 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)c(C)o1 ZINC000176137720 1428111131 /nfs/dbraw/zinc/11/11/31/1428111131.db2.gz CQBNOFWYWOHLAR-UHFFFAOYSA-N -1 3 394.493 3.482 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(COC3CCCC3)cc2)c(C)o1 ZINC000176137888 1428111578 /nfs/dbraw/zinc/11/15/78/1428111578.db2.gz NFQCRNWNHBVBKL-UHFFFAOYSA-N -1 3 392.477 3.208 20 0 GGADHM c1ccc2c(c1)C=C(CN1CCC(Oc3cccc(-c4nn[n-]n4)c3)CC1)CO2 ZINC000823868277 1428124933 /nfs/dbraw/zinc/12/49/33/1428124933.db2.gz UGVYCDHGUCWJSA-UHFFFAOYSA-N -1 3 389.459 3.186 20 0 GGADHM c1ccc2c(c1)C=C(CN1CCC(Oc3cccc(-c4nnn[n-]4)c3)CC1)CO2 ZINC000823868277 1428124938 /nfs/dbraw/zinc/12/49/38/1428124938.db2.gz UGVYCDHGUCWJSA-UHFFFAOYSA-N -1 3 389.459 3.186 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2C)c(C)o1 ZINC000176158013 1428125941 /nfs/dbraw/zinc/12/59/41/1428125941.db2.gz OSBYAHUNMAAJBI-KRWDZBQOSA-N -1 3 376.478 3.090 20 0 GGADHM CCC(CC)[C@@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000825096641 1428160880 /nfs/dbraw/zinc/16/08/80/1428160880.db2.gz PDPLSJDXXAYKPI-LJQANCHMSA-N -1 3 398.536 3.312 20 0 GGADHM CCC(CC)[C@@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000825096641 1428160883 /nfs/dbraw/zinc/16/08/83/1428160883.db2.gz PDPLSJDXXAYKPI-LJQANCHMSA-N -1 3 398.536 3.312 20 0 GGADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176206286 1428166382 /nfs/dbraw/zinc/16/63/82/1428166382.db2.gz CEVOGUAJZGPLFG-LRDDRELGSA-N -1 3 394.493 3.265 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CNc3ccccc3)cc2)c(C)o1 ZINC000176211592 1428170660 /nfs/dbraw/zinc/17/06/60/1428170660.db2.gz BWLKIASOJBJAEP-UHFFFAOYSA-N -1 3 399.472 3.361 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2OC)c(C)o1 ZINC000176214536 1428172453 /nfs/dbraw/zinc/17/24/53/1428172453.db2.gz VNRJKSPBDZKOAY-INIZCTEOSA-N -1 3 394.493 3.022 20 0 GGADHM CCC(CC)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000176253333 1428197590 /nfs/dbraw/zinc/19/75/90/1428197590.db2.gz ZJSCQSAGOGTSAE-SFHVURJKSA-N -1 3 378.494 3.403 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(F)c(F)c1 ZINC000180183768 1429788527 /nfs/dbraw/zinc/78/85/27/1429788527.db2.gz QFVIRDIPVAECPB-LLVKDONJSA-N -1 3 397.230 3.333 20 0 GGADHM NC(=O)c1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)nn1-c1ccccc1 ZINC000180339908 1429839793 /nfs/dbraw/zinc/83/97/93/1429839793.db2.gz ZSBBXNUJLSYJAN-UHFFFAOYSA-N -1 3 376.750 3.155 20 0 GGADHM C[C@@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820433659 1429863884 /nfs/dbraw/zinc/86/38/84/1429863884.db2.gz ZWTBOURMAIFCQO-CYBMUJFWSA-N -1 3 395.467 3.460 20 0 GGADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](C)O1 ZINC000180435817 1429869033 /nfs/dbraw/zinc/86/90/33/1429869033.db2.gz RDXLIZGYOBTELE-GUTXKFCHSA-N -1 3 386.414 3.125 20 0 GGADHM CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc([O-])c(F)c3)no2)c1 ZINC000180440689 1429870111 /nfs/dbraw/zinc/87/01/11/1429870111.db2.gz RBMCAAACWQKYRG-UHFFFAOYSA-N -1 3 384.363 3.231 20 0 GGADHM C[C@@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824553802 1429875814 /nfs/dbraw/zinc/87/58/14/1429875814.db2.gz IIRVSFKIOGLROM-OLZOCXBDSA-N -1 3 384.871 3.048 20 0 GGADHM C[C@@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000824553802 1429875818 /nfs/dbraw/zinc/87/58/18/1429875818.db2.gz IIRVSFKIOGLROM-OLZOCXBDSA-N -1 3 384.871 3.048 20 0 GGADHM Cc1ccc(F)c(CN2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826289366 1429884571 /nfs/dbraw/zinc/88/45/71/1429884571.db2.gz XLRHIBKLYNOLFN-UHFFFAOYSA-N -1 3 394.454 3.165 20 0 GGADHM Cc1ccc(F)c(CN2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826289366 1429884578 /nfs/dbraw/zinc/88/45/78/1429884578.db2.gz XLRHIBKLYNOLFN-UHFFFAOYSA-N -1 3 394.454 3.165 20 0 GGADHM Cc1ccnc(N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826312731 1429915717 /nfs/dbraw/zinc/91/57/17/1429915717.db2.gz NAVGHEPINVYNTN-WMZOPIPTSA-N -1 3 399.449 3.484 20 0 GGADHM Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737419877 1429917976 /nfs/dbraw/zinc/91/79/76/1429917976.db2.gz FXPBPIRQKSDBLX-CHWSQXEVSA-N -1 3 396.520 3.403 20 0 GGADHM Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737419877 1429917979 /nfs/dbraw/zinc/91/79/79/1429917979.db2.gz FXPBPIRQKSDBLX-CHWSQXEVSA-N -1 3 396.520 3.403 20 0 GGADHM Cc1ccc([C@@H](Cn2ccnc2)NCc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000826283953 1429919439 /nfs/dbraw/zinc/91/94/39/1429919439.db2.gz GGBMAUYNJWXOPE-GOSISDBHSA-N -1 3 379.493 3.273 20 0 GGADHM Cc1ccc([C@@H](Cn2ccnc2)NCc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000826283953 1429919441 /nfs/dbraw/zinc/91/94/41/1429919441.db2.gz GGBMAUYNJWXOPE-GOSISDBHSA-N -1 3 379.493 3.273 20 0 GGADHM CN(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000180639931 1429948683 /nfs/dbraw/zinc/94/86/83/1429948683.db2.gz HOXDISXIAJJYES-UHFFFAOYSA-N -1 3 381.354 3.163 20 0 GGADHM C[C@H]1CSCCN1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825012341 1429997537 /nfs/dbraw/zinc/99/75/37/1429997537.db2.gz HNPQWMLDZMHMQZ-HNNXBMFYSA-N -1 3 381.505 3.383 20 0 GGADHM C[C@H]1CSCCN1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825012341 1429997540 /nfs/dbraw/zinc/99/75/40/1429997540.db2.gz HNPQWMLDZMHMQZ-HNNXBMFYSA-N -1 3 381.505 3.383 20 0 GGADHM O=C(CC1CCC(C(F)(F)F)CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000180722206 1430000593 /nfs/dbraw/zinc/00/05/93/1430000593.db2.gz XQHRBZSMBQTOOG-UHFFFAOYSA-N -1 3 398.425 3.435 20 0 GGADHM O[C@H](CN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673731 1430009450 /nfs/dbraw/zinc/00/94/50/1430009450.db2.gz MYWFQXAMSAVTLA-LJQANCHMSA-N -1 3 381.867 3.343 20 0 GGADHM O[C@H](CN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823673731 1430009455 /nfs/dbraw/zinc/00/94/55/1430009455.db2.gz MYWFQXAMSAVTLA-LJQANCHMSA-N -1 3 381.867 3.343 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000180819628 1430056275 /nfs/dbraw/zinc/05/62/75/1430056275.db2.gz MVKIOWNTOHYISP-MRXNPFEDSA-N -1 3 381.436 3.059 20 0 GGADHM Cc1cc(C(=O)NN=c2ccc(C(F)(F)F)n[n-]2)nn1-c1cccc(Cl)c1 ZINC000180823371 1430058283 /nfs/dbraw/zinc/05/82/83/1430058283.db2.gz KLGIDWFFWZMVIC-UHFFFAOYSA-N -1 3 396.760 3.400 20 0 GGADHM C[C@@H](NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000824598225 1430060335 /nfs/dbraw/zinc/06/03/35/1430060335.db2.gz CAHBIECHGFUUJU-GFCCVEGCSA-N -1 3 375.379 3.198 20 0 GGADHM C[C@@H](NCCOc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000824598225 1430060342 /nfs/dbraw/zinc/06/03/42/1430060342.db2.gz CAHBIECHGFUUJU-GFCCVEGCSA-N -1 3 375.379 3.198 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000180851312 1430069860 /nfs/dbraw/zinc/06/98/60/1430069860.db2.gz DATDHNMLXHGEHZ-HNNXBMFYSA-N -1 3 378.222 3.074 20 0 GGADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000180856783 1430072661 /nfs/dbraw/zinc/07/26/61/1430072661.db2.gz CLAYIVSNVJFDFF-INIZCTEOSA-N -1 3 376.403 3.285 20 0 GGADHM COC(=O)[C@@H](CC(C)(C)C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000180884672 1430088731 /nfs/dbraw/zinc/08/87/31/1430088731.db2.gz RVVBQJJWDSYIRI-CQSZACIVSA-N -1 3 386.477 3.179 20 0 GGADHM CCOC(=O)[C@H](CC(C)C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000180884634 1430088897 /nfs/dbraw/zinc/08/88/97/1430088897.db2.gz RETCNDFWWRHUHZ-HNNXBMFYSA-N -1 3 386.477 3.179 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)nc3-c3ccccc3)nc21 ZINC000180920046 1430115711 /nfs/dbraw/zinc/11/57/11/1430115711.db2.gz JEMNETREVFAGSY-UHFFFAOYSA-N -1 3 375.388 3.002 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)[n-]n1 ZINC000180922879 1430117776 /nfs/dbraw/zinc/11/77/76/1430117776.db2.gz ZLCMLDOZVNWJEE-UHFFFAOYSA-N -1 3 387.399 3.449 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)n[n-]1 ZINC000180922879 1430117788 /nfs/dbraw/zinc/11/77/88/1430117788.db2.gz ZLCMLDOZVNWJEE-UHFFFAOYSA-N -1 3 387.399 3.449 20 0 GGADHM CCC(CC)(CNC(=O)OC(C)(C)C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736335955 1430121161 /nfs/dbraw/zinc/12/11/61/1430121161.db2.gz XARLQPIVIGDMJA-UHFFFAOYSA-N -1 3 392.479 3.179 20 0 GGADHM CCC(CC)(CNC(=O)OC(C)(C)C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736335955 1430121166 /nfs/dbraw/zinc/12/11/66/1430121166.db2.gz XARLQPIVIGDMJA-UHFFFAOYSA-N -1 3 392.479 3.179 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)[n-]n1 ZINC000180938022 1430124929 /nfs/dbraw/zinc/12/49/29/1430124929.db2.gz MDFPDPCISXUOKK-UHFFFAOYSA-N -1 3 388.424 3.334 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)n[n-]1 ZINC000180938022 1430124930 /nfs/dbraw/zinc/12/49/30/1430124930.db2.gz MDFPDPCISXUOKK-UHFFFAOYSA-N -1 3 388.424 3.334 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180942871 1430127524 /nfs/dbraw/zinc/12/75/24/1430127524.db2.gz SSLYXPYOFHDYJP-UHFFFAOYSA-N -1 3 394.447 3.321 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(C)(c2ccccc2)CC1 ZINC000824046770 1430131471 /nfs/dbraw/zinc/13/14/71/1430131471.db2.gz UWPSZRNZWBHCOW-INIZCTEOSA-N -1 3 390.491 3.247 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(C)(c2ccccc2)CC1 ZINC000824046770 1430131475 /nfs/dbraw/zinc/13/14/75/1430131475.db2.gz UWPSZRNZWBHCOW-INIZCTEOSA-N -1 3 390.491 3.247 20 0 GGADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(CN2CCSCC2)cc1C ZINC000180974140 1430145688 /nfs/dbraw/zinc/14/56/88/1430145688.db2.gz BXCVUHBNOGFGRY-UHFFFAOYSA-N -1 3 392.546 3.353 20 0 GGADHM COc1cccc([C@H](C)N2CCN([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737120440 1430145975 /nfs/dbraw/zinc/14/59/75/1430145975.db2.gz AHGJOQWAZLFONE-SJORKVTESA-N -1 3 392.507 3.315 20 0 GGADHM COc1cccc([C@H](C)N2CCN([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737120440 1430145979 /nfs/dbraw/zinc/14/59/79/1430145979.db2.gz AHGJOQWAZLFONE-SJORKVTESA-N -1 3 392.507 3.315 20 0 GGADHM COc1ccccc1[C@@H]1CCCN1CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737031277 1430170471 /nfs/dbraw/zinc/17/04/71/1430170471.db2.gz DPDGYEBAIBJUCD-KRWDZBQOSA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccccc1[C@@H]1CCCN1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737031277 1430170473 /nfs/dbraw/zinc/17/04/73/1430170473.db2.gz DPDGYEBAIBJUCD-KRWDZBQOSA-N -1 3 395.463 3.100 20 0 GGADHM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000181055855 1430189374 /nfs/dbraw/zinc/18/93/74/1430189374.db2.gz RDGDEQOYPJMCFH-UHFFFAOYSA-N -1 3 391.468 3.045 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000181065015 1430194741 /nfs/dbraw/zinc/19/47/41/1430194741.db2.gz PXHFEQRLAJGADD-UHFFFAOYSA-N -1 3 394.468 3.486 20 0 GGADHM CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001139095456 1430195001 /nfs/dbraw/zinc/19/50/01/1430195001.db2.gz WQPJZJMFPIPNFQ-SFHVURJKSA-N -1 3 398.511 3.231 20 0 GGADHM CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001139095456 1430195003 /nfs/dbraw/zinc/19/50/03/1430195003.db2.gz WQPJZJMFPIPNFQ-SFHVURJKSA-N -1 3 398.511 3.231 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(-c2nn[n-]n2)c1C ZINC000822557425 1430206372 /nfs/dbraw/zinc/20/63/72/1430206372.db2.gz ICVCPYPDDZCETR-TUKIKUTGSA-N -1 3 388.541 3.384 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(-c2nnn[n-]2)c1C ZINC000822557425 1430206377 /nfs/dbraw/zinc/20/63/77/1430206377.db2.gz ICVCPYPDDZCETR-TUKIKUTGSA-N -1 3 388.541 3.384 20 0 GGADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1-c1ccccc1Cl ZINC000181102337 1430211185 /nfs/dbraw/zinc/21/11/85/1430211185.db2.gz SESDFYRGHFOYII-ZDUSSCGKSA-N -1 3 379.807 3.190 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)c(C)c1F ZINC000181148474 1430227464 /nfs/dbraw/zinc/22/74/64/1430227464.db2.gz NKVPBINMYVGWPA-ZDUSSCGKSA-N -1 3 394.468 3.169 20 0 GGADHM Cc1ccc2[nH]c([C@H]3CCCN(CC(=O)[N-]OCc4ccccc4)C3)nc2c1 ZINC000181163740 1430233148 /nfs/dbraw/zinc/23/31/48/1430233148.db2.gz NZPJLLUMVRXUFH-SFHVURJKSA-N -1 3 378.476 3.299 20 0 GGADHM Cc1ccc2nc([C@H]3CCCN(CC(=O)[N-]OCc4ccccc4)C3)[nH]c2c1 ZINC000181163740 1430233153 /nfs/dbraw/zinc/23/31/53/1430233153.db2.gz NZPJLLUMVRXUFH-SFHVURJKSA-N -1 3 378.476 3.299 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)c1 ZINC000181183474 1430241029 /nfs/dbraw/zinc/24/10/29/1430241029.db2.gz GVWKFCPLWYSRQK-UHFFFAOYSA-N -1 3 388.489 3.225 20 0 GGADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cn(Cc2cccc(F)c2)nn1 ZINC000181239366 1430254845 /nfs/dbraw/zinc/25/48/45/1430254845.db2.gz MKQQQNJVGIAJIE-UHFFFAOYSA-N -1 3 388.815 3.376 20 0 GGADHM C[C@H](CCCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000181300881 1430267369 /nfs/dbraw/zinc/26/73/69/1430267369.db2.gz SOKCJEHNACXWDQ-GOSISDBHSA-N -1 3 380.488 3.336 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3cc(Br)ccc3[O-])CC2)cc1 ZINC000181415251 1430292418 /nfs/dbraw/zinc/29/24/18/1430292418.db2.gz LCWKLTHIMLCFOZ-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM O=C(CCCc1ccc2ccccc2c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000181442591 1430300332 /nfs/dbraw/zinc/30/03/32/1430300332.db2.gz WSNVMQZVQXZXSS-UHFFFAOYSA-N -1 3 376.456 3.414 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2c(C)cccc2C)cc1OC ZINC000181467712 1430306232 /nfs/dbraw/zinc/30/62/32/1430306232.db2.gz QNMJZIZFGABUQB-UHFFFAOYSA-N -1 3 376.478 3.255 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C([O-])=C(C#N)c3ccccn3)cn2)C1 ZINC000181484972 1430308693 /nfs/dbraw/zinc/30/86/93/1430308693.db2.gz NQFKAXXJHXIAQQ-IAGOWNOFSA-N -1 3 395.463 3.340 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1C(=O)N(C)C ZINC000181729143 1430348833 /nfs/dbraw/zinc/34/88/33/1430348833.db2.gz XGGKUOQWSGQMKL-UHFFFAOYSA-N -1 3 398.431 3.142 20 0 GGADHM CC(=O)c1sc(NC(=O)c2cnc3c(cnn3C)c2[O-])nc1-c1ccccc1 ZINC000181730220 1430349108 /nfs/dbraw/zinc/34/91/08/1430349108.db2.gz UQSVPDROIMNMJV-UHFFFAOYSA-N -1 3 393.428 3.252 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)[n-]n1 ZINC000181748386 1430352064 /nfs/dbraw/zinc/35/20/64/1430352064.db2.gz MOAKUTYMWAZIRP-UHFFFAOYSA-N -1 3 381.363 3.209 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n[n-]1 ZINC000181748386 1430352068 /nfs/dbraw/zinc/35/20/68/1430352068.db2.gz MOAKUTYMWAZIRP-UHFFFAOYSA-N -1 3 381.363 3.209 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)[n-]n1 ZINC000181755021 1430353070 /nfs/dbraw/zinc/35/30/70/1430353070.db2.gz VXQOXAXZZWUHBX-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)n[n-]1 ZINC000181755021 1430353072 /nfs/dbraw/zinc/35/30/72/1430353072.db2.gz VXQOXAXZZWUHBX-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM CN(C)c1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])c(C(F)(F)F)c1 ZINC000181820023 1430366947 /nfs/dbraw/zinc/36/69/47/1430366947.db2.gz BXCJRXMOEXYFNZ-UHFFFAOYSA-N -1 3 379.342 3.011 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000181819049 1430366970 /nfs/dbraw/zinc/36/69/70/1430366970.db2.gz QZSWGMYHCZNWTK-UHFFFAOYSA-N -1 3 389.868 3.200 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000181828794 1430368692 /nfs/dbraw/zinc/36/86/92/1430368692.db2.gz YNPVAWWHTNYDGS-UHFFFAOYSA-N -1 3 395.484 3.179 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc(C)c(C)cc2Cl)o1 ZINC000181844394 1430371175 /nfs/dbraw/zinc/37/11/75/1430371175.db2.gz UICVAUTUCAWBKJ-UHFFFAOYSA-N -1 3 377.872 3.466 20 0 GGADHM CCOCc1nnc([N-]Cc2csc(COc3ccc(OC)cc3)n2)o1 ZINC000181848819 1430371985 /nfs/dbraw/zinc/37/19/85/1430371985.db2.gz UPBBAAWKMKRONZ-UHFFFAOYSA-N -1 3 376.438 3.262 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)SCC(=O)Nc3ccc(C)cc3)n[n-]2)o1 ZINC000181875900 1430375949 /nfs/dbraw/zinc/37/59/49/1430375949.db2.gz SROCTJMQLKQUAT-ZDUSSCGKSA-N -1 3 399.476 3.380 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)n[n-]2)o1 ZINC000181883511 1430377404 /nfs/dbraw/zinc/37/74/04/1430377404.db2.gz ZJNBDBNAPAPYAU-XJKSGUPXSA-N -1 3 399.838 3.185 20 0 GGADHM Cc1c(NC(=O)c2cnc3c(cnn3C)c2[O-])cccc1OCC(F)(F)F ZINC000181924904 1430384548 /nfs/dbraw/zinc/38/45/48/1430384548.db2.gz NHDGREXPEPKDTB-UHFFFAOYSA-N -1 3 380.326 3.176 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000182038738 1430400081 /nfs/dbraw/zinc/40/00/81/1430400081.db2.gz LADVIPGXNKAVNF-UHFFFAOYSA-N -1 3 391.456 3.391 20 0 GGADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000182080218 1430407760 /nfs/dbraw/zinc/40/77/60/1430407760.db2.gz QXPOTLLQKNGUGR-DGCLKSJQSA-N -1 3 376.544 3.143 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2sc(C(C)C)nc2C)c(C)o1 ZINC000182066896 1430404986 /nfs/dbraw/zinc/40/49/86/1430404986.db2.gz YMMZRIFSBKPPIY-LLVKDONJSA-N -1 3 386.495 3.302 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000182080199 1430407592 /nfs/dbraw/zinc/40/75/92/1430407592.db2.gz QXPOTLLQKNGUGR-AAEUAGOBSA-N -1 3 376.544 3.143 20 0 GGADHM COc1cccc([C@H]2[C@@H](C(=O)Nc3cccc([O-])c3F)CC(=O)N2C2CC2)c1 ZINC000182079160 1430407765 /nfs/dbraw/zinc/40/77/65/1430407765.db2.gz RZPMVUVPACXYMZ-YWZLYKJASA-N -1 3 384.407 3.231 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000182090259 1430410093 /nfs/dbraw/zinc/41/00/93/1430410093.db2.gz HZEMXPVTJQKGII-VIFPVBQESA-N -1 3 388.365 3.467 20 0 GGADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(O)cc2[O-])CC1)c1ccccc1 ZINC000182273914 1430441008 /nfs/dbraw/zinc/44/10/08/1430441008.db2.gz TVCWOINJMDMTQI-GOSISDBHSA-N -1 3 382.460 3.012 20 0 GGADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Br ZINC000182404429 1430461318 /nfs/dbraw/zinc/46/13/18/1430461318.db2.gz ROWAYQUNUDAYOW-UHFFFAOYSA-N -1 3 399.266 3.222 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cc(F)c(Br)c(F)c1 ZINC000182524536 1430483193 /nfs/dbraw/zinc/48/31/93/1430483193.db2.gz GIYMRZANHOSHDD-UHFFFAOYSA-N -1 3 378.564 3.319 20 0 GGADHM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC000182568639 1430494439 /nfs/dbraw/zinc/49/44/39/1430494439.db2.gz KVYCUPUNKBLAHI-INIZCTEOSA-N -1 3 378.350 3.033 20 0 GGADHM COc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1OCc1ccncc1 ZINC000182710675 1430524125 /nfs/dbraw/zinc/52/41/25/1430524125.db2.gz UGXXXRSYKFYSBA-UHFFFAOYSA-N -1 3 375.388 3.193 20 0 GGADHM COc1ccc(N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1[N-]S(C)(=O)=O ZINC000182730370 1430528477 /nfs/dbraw/zinc/52/84/77/1430528477.db2.gz GFEUBEZLCFUWFZ-CQSZACIVSA-N -1 3 386.477 3.426 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc(F)cc2N(C)C)cc1[N-]S(C)(=O)=O ZINC000182733172 1430529574 /nfs/dbraw/zinc/52/95/74/1430529574.db2.gz DAXICRQOVOMNAN-LBPRGKRZSA-N -1 3 381.473 3.445 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000182765414 1430536086 /nfs/dbraw/zinc/53/60/86/1430536086.db2.gz ZAZBRIXHWCXOMY-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cccc2n[n-]nc21 ZINC000182768030 1430536474 /nfs/dbraw/zinc/53/64/74/1430536474.db2.gz SHDJBNSKHHAESZ-UHFFFAOYSA-N -1 3 376.376 3.050 20 0 GGADHM CCOc1ccccc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000182830428 1430549139 /nfs/dbraw/zinc/54/91/39/1430549139.db2.gz UXUKCDOLFFQWDD-UHFFFAOYSA-N -1 3 396.216 3.453 20 0 GGADHM CC(C)Cn1ncnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000182859510 1430555439 /nfs/dbraw/zinc/55/54/39/1430555439.db2.gz PDLFQTFCFPOYKW-UHFFFAOYSA-N -1 3 391.903 3.144 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOCC12CCC2 ZINC000182882566 1430561405 /nfs/dbraw/zinc/56/14/05/1430561405.db2.gz JLQUNLGLCNPURZ-HXUWFJFHSA-N -1 3 394.471 3.035 20 0 GGADHM CC(C)(C)c1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc(C(C)(C)C)c1O ZINC000182886563 1430562239 /nfs/dbraw/zinc/56/22/39/1430562239.db2.gz UDTPRSYNMMAIGB-UHFFFAOYSA-N -1 3 383.492 3.269 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccccn1 ZINC000182925581 1430573672 /nfs/dbraw/zinc/57/36/72/1430573672.db2.gz OHXVKBWCXNTJTD-OAQYLSRUSA-N -1 3 389.455 3.007 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000182983656 1430585234 /nfs/dbraw/zinc/58/52/34/1430585234.db2.gz PQGWPIUZUXKQBK-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM CCc1nnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000183002421 1430590207 /nfs/dbraw/zinc/59/02/07/1430590207.db2.gz UILQUFZJTHEPAL-MRXNPFEDSA-N -1 3 396.472 3.306 20 0 GGADHM Cc1nnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000183005379 1430590402 /nfs/dbraw/zinc/59/04/02/1430590402.db2.gz MHPQASXDQOJEEP-INIZCTEOSA-N -1 3 382.445 3.052 20 0 GGADHM Cc1nnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000183005400 1430590600 /nfs/dbraw/zinc/59/06/00/1430590600.db2.gz MHPQASXDQOJEEP-MRXNPFEDSA-N -1 3 382.445 3.052 20 0 GGADHM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000183058187 1430601735 /nfs/dbraw/zinc/60/17/35/1430601735.db2.gz KWBCCVOVUDXHBL-UHFFFAOYSA-N -1 3 377.293 3.082 20 0 GGADHM O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc(F)c(F)c([O-])c1F ZINC000183092873 1430610700 /nfs/dbraw/zinc/61/07/00/1430610700.db2.gz RQBLTKHGVDYLNO-UHFFFAOYSA-N -1 3 394.393 3.266 20 0 GGADHM CON(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000183096382 1430611667 /nfs/dbraw/zinc/61/16/67/1430611667.db2.gz LRGVYFUUCCTJOS-UHFFFAOYSA-N -1 3 394.468 3.106 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2C)c1 ZINC000183105735 1430614259 /nfs/dbraw/zinc/61/42/59/1430614259.db2.gz VBXFZTGXGPPACD-UHFFFAOYSA-N -1 3 397.406 3.361 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c(C)o1 ZINC000183116926 1430618570 /nfs/dbraw/zinc/61/85/70/1430618570.db2.gz QAOPIYTXHHIDEL-KRWDZBQOSA-N -1 3 376.478 3.157 20 0 GGADHM CCn1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000183231908 1430654357 /nfs/dbraw/zinc/65/43/57/1430654357.db2.gz NLFAJAUOCLDDJY-IBGZPJMESA-N -1 3 378.432 3.109 20 0 GGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cnc(-c2ccccn2)s1 ZINC000183262855 1430663246 /nfs/dbraw/zinc/66/32/46/1430663246.db2.gz SGPWALGZGJIJAM-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)[n-]n1 ZINC000183283496 1430669211 /nfs/dbraw/zinc/66/92/11/1430669211.db2.gz BCOOZMVOEMISPR-UHFFFAOYSA-N -1 3 378.360 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)n[n-]1 ZINC000183283496 1430669214 /nfs/dbraw/zinc/66/92/14/1430669214.db2.gz BCOOZMVOEMISPR-UHFFFAOYSA-N -1 3 378.360 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)[n-]n1 ZINC000183283925 1430669792 /nfs/dbraw/zinc/66/97/92/1430669792.db2.gz FLCJXUHNXVNCPM-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n[n-]1 ZINC000183283925 1430669795 /nfs/dbraw/zinc/66/97/95/1430669795.db2.gz FLCJXUHNXVNCPM-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000183302338 1430673610 /nfs/dbraw/zinc/67/36/10/1430673610.db2.gz BAVGWGBNBJVJJE-JTQLQIEISA-N -1 3 392.381 3.395 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3ccccc3F)cs2)c1 ZINC000183307568 1430674910 /nfs/dbraw/zinc/67/49/10/1430674910.db2.gz YTXSMUYIIOWCEQ-UHFFFAOYSA-N -1 3 399.447 3.407 20 0 GGADHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000183385731 1430696942 /nfs/dbraw/zinc/69/69/42/1430696942.db2.gz JVPGVIYCXLFBOK-UHFFFAOYSA-N -1 3 375.378 3.246 20 0 GGADHM CCn1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(=O)c2cc(Cl)ccc21 ZINC000183388977 1430698212 /nfs/dbraw/zinc/69/82/12/1430698212.db2.gz ZKALXIZCDOGHOU-UHFFFAOYSA-N -1 3 385.733 3.064 20 0 GGADHM CCn1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(=O)c2cc(Cl)ccc21 ZINC000183388977 1430698216 /nfs/dbraw/zinc/69/82/16/1430698216.db2.gz ZKALXIZCDOGHOU-UHFFFAOYSA-N -1 3 385.733 3.064 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc3n[n-]nc32)C1 ZINC000183400693 1430701724 /nfs/dbraw/zinc/70/17/24/1430701724.db2.gz ZZPDRPDINFEROB-ZIAGYGMSSA-N -1 3 377.448 3.328 20 0 GGADHM C[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(C)(C)O1 ZINC000183435415 1430711200 /nfs/dbraw/zinc/71/12/00/1430711200.db2.gz GEVMJCRYLSCIEU-OXJNMPFZSA-N -1 3 396.487 3.279 20 0 GGADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(C)(C)O1 ZINC000183435359 1430711403 /nfs/dbraw/zinc/71/14/03/1430711403.db2.gz GEVMJCRYLSCIEU-UZLBHIALSA-N -1 3 396.487 3.279 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1ccnc(Cl)c1 ZINC000183441123 1430712659 /nfs/dbraw/zinc/71/26/59/1430712659.db2.gz JUMVXKLPFQAPOB-UHFFFAOYSA-N -1 3 387.596 3.103 20 0 GGADHM Cn1c2ccccc2nc1[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000183486270 1430724791 /nfs/dbraw/zinc/72/47/91/1430724791.db2.gz KJIZASSYTZIYAT-LJQANCHMSA-N -1 3 382.427 3.364 20 0 GGADHM CC[C@H](C)Oc1cc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)ccn1 ZINC000183500911 1430729087 /nfs/dbraw/zinc/72/90/87/1430729087.db2.gz BUWCNBGPWSJIRX-LBPRGKRZSA-N -1 3 398.488 3.293 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(C)c(Br)c2)c([O-])c1 ZINC000183531836 1430736206 /nfs/dbraw/zinc/73/62/06/1430736206.db2.gz LQHGBRPGGXDZTP-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM CN(C)c1ccccc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000183551054 1430740420 /nfs/dbraw/zinc/74/04/20/1430740420.db2.gz OKUVGIPXESPLCC-UHFFFAOYSA-N -1 3 395.232 3.121 20 0 GGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000183560940 1430742329 /nfs/dbraw/zinc/74/23/29/1430742329.db2.gz YVNKXLMHCHFRMY-LBPRGKRZSA-N -1 3 383.839 3.045 20 0 GGADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000183560940 1430742335 /nfs/dbraw/zinc/74/23/35/1430742335.db2.gz YVNKXLMHCHFRMY-LBPRGKRZSA-N -1 3 383.839 3.045 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Cl)nc1)c1cccc(Br)c1Cl ZINC000183563360 1430742523 /nfs/dbraw/zinc/74/25/23/1430742523.db2.gz ATBUOPFROPTAKI-UHFFFAOYSA-N -1 3 389.036 3.226 20 0 GGADHM O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cccc2n[n-]nc21 ZINC000183572229 1430744145 /nfs/dbraw/zinc/74/41/45/1430744145.db2.gz UXSRQYISVALKOG-UHFFFAOYSA-N -1 3 384.399 3.437 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-])CCC2 ZINC000183604633 1430752783 /nfs/dbraw/zinc/75/27/83/1430752783.db2.gz BZHCAHSCODNVPX-INIZCTEOSA-N -1 3 387.505 3.121 20 0 GGADHM CC[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)O1 ZINC000183761564 1430788508 /nfs/dbraw/zinc/78/85/08/1430788508.db2.gz DSEFAKKDHZKPJL-HBGVWJBISA-N -1 3 396.487 3.279 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)c3cccnc3)cs2)c1 ZINC000183771400 1430790188 /nfs/dbraw/zinc/79/01/88/1430790188.db2.gz HTHIXNBJLWYOSN-UHFFFAOYSA-N -1 3 382.445 3.010 20 0 GGADHM COC[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183781203 1430792357 /nfs/dbraw/zinc/79/23/57/1430792357.db2.gz DZPBPCTYVYCGND-LAUBAEHRSA-N -1 3 396.487 3.138 20 0 GGADHM COC[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183781189 1430792470 /nfs/dbraw/zinc/79/24/70/1430792470.db2.gz DZPBPCTYVYCGND-DYESRHJHSA-N -1 3 396.487 3.138 20 0 GGADHM COC[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183781154 1430792639 /nfs/dbraw/zinc/79/26/39/1430792639.db2.gz DZPBPCTYVYCGND-UTKZUKDTSA-N -1 3 396.487 3.138 20 0 GGADHM CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000183895886 1430810121 /nfs/dbraw/zinc/81/01/21/1430810121.db2.gz ZGNFQARSYDNWIK-UHFFFAOYSA-N -1 3 379.476 3.102 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000183979810 1430822279 /nfs/dbraw/zinc/82/22/79/1430822279.db2.gz SETYQPVBBKDYIZ-GDBMZVCRSA-N -1 3 394.899 3.428 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000183979837 1430822362 /nfs/dbraw/zinc/82/23/62/1430822362.db2.gz SETYQPVBBKDYIZ-GOEBONIOSA-N -1 3 394.899 3.428 20 0 GGADHM CC[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000183979854 1430822387 /nfs/dbraw/zinc/82/23/87/1430822387.db2.gz SETYQPVBBKDYIZ-HOCLYGCPSA-N -1 3 394.899 3.428 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc2ccccc2n1 ZINC000183981292 1430822958 /nfs/dbraw/zinc/82/29/58/1430822958.db2.gz GPXGKDQBEQXFLC-QWHCGFSZSA-N -1 3 385.345 3.217 20 0 GGADHM CC(C)Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)c2cccc([O-])c2)cc1 ZINC000183992280 1430825204 /nfs/dbraw/zinc/82/52/04/1430825204.db2.gz YDUSNCGAQDAHSX-HNNXBMFYSA-N -1 3 375.490 3.242 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(F)nc3)cs2)c1 ZINC000184050596 1430834369 /nfs/dbraw/zinc/83/43/69/1430834369.db2.gz IIPRDOULNIOMCC-UHFFFAOYSA-N -1 3 386.408 3.125 20 0 GGADHM CCCn1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000184059976 1430836133 /nfs/dbraw/zinc/83/61/33/1430836133.db2.gz ATVBACQXKFFADI-FQEVSTJZSA-N -1 3 392.459 3.499 20 0 GGADHM Cc1cc(Br)cc(C)c1NC(=O)NNC(=O)c1ccccc1[O-] ZINC000184074192 1430837748 /nfs/dbraw/zinc/83/77/48/1430837748.db2.gz CQDJUTNDKPOJHC-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM Cc1cc(NC(=O)NNC(=O)c2ccc(C)cc2[O-])nn1-c1cccc(Cl)c1 ZINC000184091703 1430840146 /nfs/dbraw/zinc/84/01/46/1430840146.db2.gz KDJCECNRVCXVPA-UHFFFAOYSA-N -1 3 399.838 3.315 20 0 GGADHM CN(Cc1nccs1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184106777 1430841976 /nfs/dbraw/zinc/84/19/76/1430841976.db2.gz YXWDDMNIEKIGDV-GOSISDBHSA-N -1 3 395.484 3.369 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1ccc(C)c(C)c1 ZINC000184258546 1430863445 /nfs/dbraw/zinc/86/34/45/1430863445.db2.gz JIHNNJJZLRCTFF-HXUWFJFHSA-N -1 3 398.484 3.185 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1cc(C)cc(C)c1 ZINC000184260321 1430864055 /nfs/dbraw/zinc/86/40/55/1430864055.db2.gz CAVRYIVLOMYUFM-LJQANCHMSA-N -1 3 384.457 3.044 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1C ZINC000184282456 1430867406 /nfs/dbraw/zinc/86/74/06/1430867406.db2.gz LNIPOXZPAMQADU-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM CN(CC1(O)CCCC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184288989 1430868820 /nfs/dbraw/zinc/86/88/20/1430868820.db2.gz QSPMRNAHOZXZMV-FQEVSTJZSA-N -1 3 396.487 3.017 20 0 GGADHM C[C@H](O)C[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184291669 1430868908 /nfs/dbraw/zinc/86/89/08/1430868908.db2.gz UCQOCAATIUBCKR-SCWSEQNSSA-N -1 3 396.487 3.015 20 0 GGADHM C[C@H](O)C[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184291632 1430868953 /nfs/dbraw/zinc/86/89/53/1430868953.db2.gz UCQOCAATIUBCKR-LRQRDZAKSA-N -1 3 396.487 3.015 20 0 GGADHM Cc1cc(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000184357918 1430877885 /nfs/dbraw/zinc/87/78/85/1430877885.db2.gz ICBOPBRFNUXLLA-UHFFFAOYSA-N -1 3 387.867 3.022 20 0 GGADHM C[C@@H]1CN(CC2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000184363253 1430878575 /nfs/dbraw/zinc/87/85/75/1430878575.db2.gz BRNGSRZNEHUVKC-CHWSQXEVSA-N -1 3 384.879 3.146 20 0 GGADHM CCc1c(C(=O)[N-]NC(=O)NC2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000184739053 1430959592 /nfs/dbraw/zinc/95/95/92/1430959592.db2.gz UXQXVUCYIUKYTO-UHFFFAOYSA-N -1 3 389.887 3.365 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184740010 1430960814 /nfs/dbraw/zinc/96/08/14/1430960814.db2.gz BITOAYRPKCRVHP-GHMZBOCLSA-N -1 3 379.363 3.058 20 0 GGADHM CCCCn1cc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)n1 ZINC000184744274 1430962782 /nfs/dbraw/zinc/96/27/82/1430962782.db2.gz GQBGMHYYBGRWQT-INIZCTEOSA-N -1 3 394.475 3.373 20 0 GGADHM O=C(CCc1cccc2c1OCO2)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000184751035 1430965447 /nfs/dbraw/zinc/96/54/47/1430965447.db2.gz GGGWQRNCZDKRHY-UHFFFAOYSA-N -1 3 381.215 3.116 20 0 GGADHM COc1ccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c(C)c1 ZINC000184801374 1430981979 /nfs/dbraw/zinc/98/19/79/1430981979.db2.gz NXXUHEQAGUIDPV-UHFFFAOYSA-N -1 3 396.216 3.372 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cc(F)ccc2Cl)o1 ZINC000184829550 1430994449 /nfs/dbraw/zinc/99/44/49/1430994449.db2.gz MQLKDRAHIJNWTM-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000184861163 1431005596 /nfs/dbraw/zinc/00/55/96/1431005596.db2.gz JGWSHWDUHKZMPA-UHFFFAOYSA-N -1 3 377.365 3.338 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000184879406 1431010681 /nfs/dbraw/zinc/01/06/81/1431010681.db2.gz ZCUQONKOGROGFS-CYBMUJFWSA-N -1 3 383.416 3.489 20 0 GGADHM CCCOc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000184899173 1431016558 /nfs/dbraw/zinc/01/65/58/1431016558.db2.gz FQFRDJNHOAIUOF-UHFFFAOYSA-N -1 3 386.473 3.112 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccccc2C)c1 ZINC000184911796 1431019506 /nfs/dbraw/zinc/01/95/06/1431019506.db2.gz CKQAGKRVEXXSLD-UHFFFAOYSA-N -1 3 379.416 3.222 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)C2=Cc3ccccc3OCC2)o1 ZINC000184921233 1431021785 /nfs/dbraw/zinc/02/17/85/1431021785.db2.gz HHDMPOUJOLAZPP-KRWDZBQOSA-N -1 3 377.462 3.273 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccn2C)c1 ZINC000184926181 1431023041 /nfs/dbraw/zinc/02/30/41/1431023041.db2.gz ZXTXXXWPTUUVHH-SFHVURJKSA-N -1 3 394.431 3.257 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000184939869 1431027015 /nfs/dbraw/zinc/02/70/15/1431027015.db2.gz CZRGKWVFJJXTBS-SFHVURJKSA-N -1 3 392.415 3.313 20 0 GGADHM CCCC[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000184947806 1431028387 /nfs/dbraw/zinc/02/83/87/1431028387.db2.gz YWNSAZXWRZJRFG-QAPCUYQASA-N -1 3 386.414 3.201 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184949056 1431028438 /nfs/dbraw/zinc/02/84/38/1431028438.db2.gz DEHLQHRYLQSTIA-UHFFFAOYSA-N -1 3 399.516 3.006 20 0 GGADHM Cc1cc(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000184997612 1431038541 /nfs/dbraw/zinc/03/85/41/1431038541.db2.gz GQETUAKBKLNBFH-CYBMUJFWSA-N -1 3 396.534 3.162 20 0 GGADHM COCCC(C)(C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000185029887 1431044693 /nfs/dbraw/zinc/04/46/93/1431044693.db2.gz YTMCNYBVTHGZOJ-HXUWFJFHSA-N -1 3 398.503 3.432 20 0 GGADHM O=c1[n-]c(SCCCO[C@H]2CCCCO2)nc2c1cnn2-c1ccccc1 ZINC000185062745 1431052224 /nfs/dbraw/zinc/05/22/24/1431052224.db2.gz ZACJGHYZIMRHST-INIZCTEOSA-N -1 3 386.477 3.134 20 0 GGADHM CC[C@@H](CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000185154786 1431073562 /nfs/dbraw/zinc/07/35/62/1431073562.db2.gz RQDPTQRPGFBFGO-HNNXBMFYSA-N -1 3 392.496 3.390 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCOC(C)C ZINC000185180505 1431078820 /nfs/dbraw/zinc/07/88/20/1431078820.db2.gz MEZQFUXFMMBQHG-UHFFFAOYSA-N -1 3 394.468 3.090 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000185519215 1431163361 /nfs/dbraw/zinc/16/33/61/1431163361.db2.gz HKGDFUQHGCNTLI-UHFFFAOYSA-N -1 3 388.642 3.135 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000185555443 1431170168 /nfs/dbraw/zinc/17/01/68/1431170168.db2.gz DUXDAMBGPSBVHQ-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM C[C@@H](c1nccs1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000185609287 1431183193 /nfs/dbraw/zinc/18/31/93/1431183193.db2.gz PKHKGDDPVLOKIH-LBPRGKRZSA-N -1 3 382.327 3.490 20 0 GGADHM C[C@H](c1nccs1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000185609301 1431182971 /nfs/dbraw/zinc/18/29/71/1431182971.db2.gz PKHKGDDPVLOKIH-GFCCVEGCSA-N -1 3 382.327 3.490 20 0 GGADHM O=C([N-]NC(=O)N1CCCC2(CC2)C1)c1ccc(Br)cc1Cl ZINC000185671716 1431201854 /nfs/dbraw/zinc/20/18/54/1431201854.db2.gz YSHNFWOFEBBRGO-UHFFFAOYSA-N -1 3 386.677 3.333 20 0 GGADHM CC[C@H]1Cc2ccccc2CN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000185796240 1431238232 /nfs/dbraw/zinc/23/82/32/1431238232.db2.gz HXCSPHULYLKVGH-HNNXBMFYSA-N -1 3 397.500 3.417 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000185802082 1431239454 /nfs/dbraw/zinc/23/94/54/1431239454.db2.gz MQQGVLBRHRRVEO-UWJYYQICSA-N -1 3 380.444 3.117 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(c4nccc(C(C)C)n4)CC3)cc(=O)oc12 ZINC000185834748 1431246875 /nfs/dbraw/zinc/24/68/75/1431246875.db2.gz JOYHOFTZOGMNDY-UHFFFAOYSA-N -1 3 394.475 3.043 20 0 GGADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000185856199 1431253187 /nfs/dbraw/zinc/25/31/87/1431253187.db2.gz FCIZQHPAHZQFPE-LJEUOOAZSA-N -1 3 377.227 3.456 20 0 GGADHM Clc1ccc2nc(C[N-]c3nnc([C@H]4COc5ccccc5O4)o3)cn2c1 ZINC000185895618 1431267788 /nfs/dbraw/zinc/26/77/88/1431267788.db2.gz ZBDIUPCUHQDIOQ-OAHLLOKOSA-N -1 3 383.795 3.495 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000185899700 1431270112 /nfs/dbraw/zinc/27/01/12/1431270112.db2.gz KEOIKTPAAIWFRK-FUNAXGEOSA-N -1 3 399.809 3.013 20 0 GGADHM c1cn(-c2ccccc2)nc1C[N-]c1nnc([C@H]2COc3ccccc3O2)o1 ZINC000185900656 1431270506 /nfs/dbraw/zinc/27/05/06/1431270506.db2.gz GVIGPIJJCQHHJC-GOSISDBHSA-N -1 3 375.388 3.380 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000185913495 1431276307 /nfs/dbraw/zinc/27/63/07/1431276307.db2.gz XFRNJSZJXFNRPZ-FUNAXGEOSA-N -1 3 399.809 3.013 20 0 GGADHM COC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000186152202 1431342694 /nfs/dbraw/zinc/34/26/94/1431342694.db2.gz OOUNFIKWCIIUOK-JTQLQIEISA-N -1 3 395.308 3.139 20 0 GGADHM COC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000186157362 1431343591 /nfs/dbraw/zinc/34/35/91/1431343591.db2.gz GUTZSTKZIOJYPG-SNVBAGLBSA-N -1 3 395.308 3.139 20 0 GGADHM Cc1oc2ccccc2c1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000186159134 1431343885 /nfs/dbraw/zinc/34/38/85/1431343885.db2.gz AATOLILGIZSXLQ-UHFFFAOYSA-N -1 3 393.443 3.114 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Br)c(F)c2)c([O-])c1 ZINC000186176506 1431347090 /nfs/dbraw/zinc/34/70/90/1431347090.db2.gz IFLVUBGWYVSJQE-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM CCO[C@H](C)c1nc(CN2CCN(Cc3cc([O-])cc(F)c3)CC2)cs1 ZINC000186249011 1431362448 /nfs/dbraw/zinc/36/24/48/1431362448.db2.gz SINHIAKJZMDRHM-CQSZACIVSA-N -1 3 379.501 3.403 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000186283714 1431371062 /nfs/dbraw/zinc/37/10/62/1431371062.db2.gz CQEBLYAOIMZHDE-HNNXBMFYSA-N -1 3 391.427 3.401 20 0 GGADHM CCc1cc2c(CNc3cnn(Cc4ccccn4)c3)cc(=O)oc2cc1[O-] ZINC000186286108 1431371925 /nfs/dbraw/zinc/37/19/25/1431371925.db2.gz RPBAWYWPYBNFEC-UHFFFAOYSA-N -1 3 376.416 3.313 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2CC)[n-]n1 ZINC000186321760 1431382059 /nfs/dbraw/zinc/38/20/59/1431382059.db2.gz IFHSKWBGPLKZFW-UHFFFAOYSA-N -1 3 387.827 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2CC)n[n-]1 ZINC000186321760 1431382064 /nfs/dbraw/zinc/38/20/64/1431382064.db2.gz IFHSKWBGPLKZFW-UHFFFAOYSA-N -1 3 387.827 3.240 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000186377216 1431395529 /nfs/dbraw/zinc/39/55/29/1431395529.db2.gz SWDVPIIOJJRRRY-UHFFFAOYSA-N -1 3 387.482 3.134 20 0 GGADHM CCOc1ccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000186382279 1431397100 /nfs/dbraw/zinc/39/71/00/1431397100.db2.gz HDGHKSSRIVQPRE-UHFFFAOYSA-N -1 3 396.216 3.453 20 0 GGADHM COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1cc([O-])cc(F)c1 ZINC000186405442 1431404663 /nfs/dbraw/zinc/40/46/63/1431404663.db2.gz QKHNGLQKFSMPPJ-UHFFFAOYSA-N -1 3 382.457 3.229 20 0 GGADHM Cc1ccc(-c2c[nH]cc2C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000186407817 1431405761 /nfs/dbraw/zinc/40/57/61/1431405761.db2.gz IVBALMYUPDBDOT-UHFFFAOYSA-N -1 3 395.484 3.355 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cc(Cl)ccc2OC)o1 ZINC000186416026 1431410478 /nfs/dbraw/zinc/41/04/78/1431410478.db2.gz KAKSZKSSXQDKFW-UHFFFAOYSA-N -1 3 394.859 3.250 20 0 GGADHM CCOc1cc(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc(Cl)c1[O-] ZINC000186423132 1431413593 /nfs/dbraw/zinc/41/35/93/1431413593.db2.gz MYJIVGDAQDXOKZ-KRWDZBQOSA-N -1 3 392.883 3.486 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1cccc(Cl)n1 ZINC000186434224 1431418350 /nfs/dbraw/zinc/41/83/50/1431418350.db2.gz JXEHNCCJSDSOSP-UHFFFAOYSA-N -1 3 387.596 3.103 20 0 GGADHM CCOc1cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186440733 1431420504 /nfs/dbraw/zinc/42/05/04/1431420504.db2.gz QDJPESNSHSJZEW-BETUJISGSA-N -1 3 384.904 3.062 20 0 GGADHM CCOc1cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-] ZINC000186440755 1431420832 /nfs/dbraw/zinc/42/08/32/1431420832.db2.gz QDJPESNSHSJZEW-CHWSQXEVSA-N -1 3 384.904 3.062 20 0 GGADHM Cn1cc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccc(F)cc2)cn1 ZINC000186494407 1431436145 /nfs/dbraw/zinc/43/61/45/1431436145.db2.gz OMBYHNYPGILNQJ-QGZVFWFLSA-N -1 3 399.369 3.044 20 0 GGADHM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccc(F)cc2)cn1 ZINC000186511606 1431442164 /nfs/dbraw/zinc/44/21/64/1431442164.db2.gz ULGMAKDCFXXLFL-KRWDZBQOSA-N -1 3 399.369 3.044 20 0 GGADHM Cc1ccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c(C)n1 ZINC000186533197 1431447814 /nfs/dbraw/zinc/44/78/14/1431447814.db2.gz URVGQCMBEHHEKK-UHFFFAOYSA-N -1 3 381.205 3.067 20 0 GGADHM COc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br ZINC000186616829 1431470210 /nfs/dbraw/zinc/47/02/10/1431470210.db2.gz YFEUAYAKHABIJQ-UHFFFAOYSA-N -1 3 387.211 3.167 20 0 GGADHM O=C(Cc1ccc2c(c1)OCO2)[N-]OCc1ccc(F)cc1Br ZINC000186657371 1431483194 /nfs/dbraw/zinc/48/31/94/1431483194.db2.gz XIUYAZBZTDLCJF-UHFFFAOYSA-N -1 3 382.185 3.107 20 0 GGADHM O=C([N-]NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(Cl)cc1F ZINC000186661753 1431484263 /nfs/dbraw/zinc/48/42/63/1431484263.db2.gz NXIOZEJLYKAIIZ-UHFFFAOYSA-N -1 3 388.761 3.150 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Cl)cc1F)c1ccc(-c2cncnc2)cc1F ZINC000186661753 1431484269 /nfs/dbraw/zinc/48/42/69/1431484269.db2.gz NXIOZEJLYKAIIZ-UHFFFAOYSA-N -1 3 388.761 3.150 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(COC)c3)c2)n1 ZINC000186795146 1431518450 /nfs/dbraw/zinc/51/84/50/1431518450.db2.gz ISCRSZAYFGXFOE-UHFFFAOYSA-N -1 3 377.444 3.327 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)c(C)c3c2)ccc1F ZINC000186810328 1431523283 /nfs/dbraw/zinc/52/32/83/1431523283.db2.gz RVANYOHWOVPHPK-UHFFFAOYSA-N -1 3 376.409 3.349 20 0 GGADHM Cc1ccc(-c2nc([N-]C(=O)c3cn(-c4cccc(Cl)c4)nn3)n[nH]2)cc1 ZINC000186825005 1431529135 /nfs/dbraw/zinc/52/91/35/1431529135.db2.gz SEBCWBQUKZXQKD-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CCOc1cc(C(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)cc(Cl)c1[O-] ZINC000186835278 1431532769 /nfs/dbraw/zinc/53/27/69/1431532769.db2.gz MUCFQMNKTJLDTB-AWEZNQCLSA-N -1 3 396.915 3.208 20 0 GGADHM CCOc1cc(C(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)cc(Cl)c1[O-] ZINC000186835301 1431532842 /nfs/dbraw/zinc/53/28/42/1431532842.db2.gz MUCFQMNKTJLDTB-CQSZACIVSA-N -1 3 396.915 3.208 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CCC(=O)Nc2cccc(F)c2)nc1-c1ccccc1 ZINC000186837923 1431534301 /nfs/dbraw/zinc/53/43/01/1431534301.db2.gz OEQSQIMWMVQJIT-UHFFFAOYSA-N -1 3 387.436 3.327 20 0 GGADHM Cc1nc(S(=O)(=O)CCC(=O)Nc2cccc(F)c2)[n-]c1-c1ccccc1 ZINC000186837923 1431534304 /nfs/dbraw/zinc/53/43/04/1431534304.db2.gz OEQSQIMWMVQJIT-UHFFFAOYSA-N -1 3 387.436 3.327 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N(C)[C@H](C)CC(C)C)[n-]c1-c1ccccc1 ZINC000186838154 1431534435 /nfs/dbraw/zinc/53/44/35/1431534435.db2.gz KKJBFKMTKNVHGD-CQSZACIVSA-N -1 3 377.510 3.052 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(C)[C@H](C)CC(C)C)nc1-c1ccccc1 ZINC000186838154 1431534444 /nfs/dbraw/zinc/53/44/44/1431534444.db2.gz KKJBFKMTKNVHGD-CQSZACIVSA-N -1 3 377.510 3.052 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)[n-]c1-c1ccccc1 ZINC000186839494 1431534822 /nfs/dbraw/zinc/53/48/22/1431534822.db2.gz AOVGZGAJYAIAOA-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)nc1-c1ccccc1 ZINC000186839494 1431534829 /nfs/dbraw/zinc/53/48/29/1431534829.db2.gz AOVGZGAJYAIAOA-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000186839270 1431535183 /nfs/dbraw/zinc/53/51/83/1431535183.db2.gz RUEFNCWPYSUHRL-UHFFFAOYSA-N -1 3 385.420 3.218 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2nnc(C3CC3)n2C2CC2)[n-]c1-c1ccccc1 ZINC000186843765 1431536963 /nfs/dbraw/zinc/53/69/63/1431536963.db2.gz XTAUSWGJHXYMPU-UHFFFAOYSA-N -1 3 383.477 3.163 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2nnc(C3CC3)n2C2CC2)nc1-c1ccccc1 ZINC000186843765 1431536968 /nfs/dbraw/zinc/53/69/68/1431536968.db2.gz XTAUSWGJHXYMPU-UHFFFAOYSA-N -1 3 383.477 3.163 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N(C)C2CCCCC2)[n-]c1-c1ccccc1 ZINC000186845716 1431537642 /nfs/dbraw/zinc/53/76/42/1431537642.db2.gz ZHUOPQQNKBCFGJ-HNNXBMFYSA-N -1 3 389.521 3.338 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C)[n-]c1-c1ccccc1 ZINC000186847678 1431538236 /nfs/dbraw/zinc/53/82/36/1431538236.db2.gz LCMQHLOVDAIQKP-OAHLLOKOSA-N -1 3 383.473 3.494 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cccc(F)c2)[n-]c1-c1ccccc1 ZINC000186853102 1431541138 /nfs/dbraw/zinc/54/11/38/1431541138.db2.gz PUUGWSGMFBCBJP-CYBMUJFWSA-N -1 3 387.436 3.325 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2)[n-]c1-c1ccccc1 ZINC000186854039 1431541514 /nfs/dbraw/zinc/54/15/14/1431541514.db2.gz BHJDAKPHRPYXQA-AWEZNQCLSA-N -1 3 383.473 3.036 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2)nc1-c1ccccc1 ZINC000186854039 1431541516 /nfs/dbraw/zinc/54/15/16/1431541516.db2.gz BHJDAKPHRPYXQA-AWEZNQCLSA-N -1 3 383.473 3.036 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2noc(-c3ccsc3)n2)[n-]c1-c1ccccc1 ZINC000186857016 1431542252 /nfs/dbraw/zinc/54/22/52/1431542252.db2.gz ZJEZQBXCVJFMIW-UHFFFAOYSA-N -1 3 386.458 3.471 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2noc(-c3ccsc3)n2)nc1-c1ccccc1 ZINC000186857016 1431542254 /nfs/dbraw/zinc/54/22/54/1431542254.db2.gz ZJEZQBXCVJFMIW-UHFFFAOYSA-N -1 3 386.458 3.471 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N(C)Cc2ccccc2)[n-]c1-c1ccccc1 ZINC000186856068 1431542346 /nfs/dbraw/zinc/54/23/46/1431542346.db2.gz XNZAEFJLTRIPMI-MRXNPFEDSA-N -1 3 397.500 3.206 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3ccccc3)c(C)c2)c(C)o1 ZINC000186879405 1431551602 /nfs/dbraw/zinc/55/16/02/1431551602.db2.gz JMWXFMXCBUJCRU-UHFFFAOYSA-N -1 3 398.484 3.402 20 0 GGADHM O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000186901345 1431560119 /nfs/dbraw/zinc/56/01/19/1431560119.db2.gz PFDCAJYWQGIZLN-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000186969132 1431579284 /nfs/dbraw/zinc/57/92/84/1431579284.db2.gz GDBGNARDJJERNW-GRYCIOLGSA-N -1 3 398.301 3.226 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1CCCCCC1 ZINC000187127666 1431624288 /nfs/dbraw/zinc/62/42/88/1431624288.db2.gz VVNKWVQDOXYSRZ-HNNXBMFYSA-N -1 3 382.526 3.051 20 0 GGADHM CCOCCO[N-]C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000187150718 1431631961 /nfs/dbraw/zinc/63/19/61/1431631961.db2.gz BKPZYTCJVAOADP-UHFFFAOYSA-N -1 3 382.416 3.312 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)C2CC2)n1 ZINC000187351725 1431705760 /nfs/dbraw/zinc/70/57/60/1431705760.db2.gz GKRRRQKHPHEHPP-INIZCTEOSA-N -1 3 386.502 3.338 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000187420591 1431724552 /nfs/dbraw/zinc/72/45/52/1431724552.db2.gz YEXJKUSSHCVRKT-UHFFFAOYSA-N -1 3 380.803 3.227 20 0 GGADHM CSCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000187428787 1431727176 /nfs/dbraw/zinc/72/71/76/1431727176.db2.gz JSROLGVLTZUARQ-UHFFFAOYSA-N -1 3 390.546 3.166 20 0 GGADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1cccc(F)c1C#N ZINC000187453379 1431734998 /nfs/dbraw/zinc/73/49/98/1431734998.db2.gz IRYRPHZWOQWIFI-ZDUSSCGKSA-N -1 3 377.375 3.079 20 0 GGADHM Cc1cnccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000187469394 1431740684 /nfs/dbraw/zinc/74/06/84/1431740684.db2.gz NDBYSLCQPWWTIF-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2n[n-]nc21 ZINC000187492591 1431747744 /nfs/dbraw/zinc/74/77/44/1431747744.db2.gz CARIYKWCGNUBCI-UHFFFAOYSA-N -1 3 386.337 3.092 20 0 GGADHM Cc1cc(C)c(NC(=O)NNC(=O)c2ccccc2[O-])cc1Br ZINC000187537428 1431760380 /nfs/dbraw/zinc/76/03/80/1431760380.db2.gz QHYOMWADJUCLEM-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000187581344 1431772623 /nfs/dbraw/zinc/77/26/23/1431772623.db2.gz UAQSIIPZWFBFGF-OAHLLOKOSA-N -1 3 388.489 3.074 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c1F ZINC000187830034 1431817407 /nfs/dbraw/zinc/81/74/07/1431817407.db2.gz VTWWKYQLJCBONA-UHFFFAOYSA-N -1 3 393.770 3.022 20 0 GGADHM Cc1coc2ccc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc12 ZINC000187960404 1431831520 /nfs/dbraw/zinc/83/15/20/1431831520.db2.gz HJPZNHPNYYVSTJ-UHFFFAOYSA-N -1 3 379.416 3.437 20 0 GGADHM CCCOc1c(Cl)cc(/C=C(\C#N)S(=O)(=O)[N-]C2CC2)cc1OCC ZINC000188031321 1431838140 /nfs/dbraw/zinc/83/81/40/1431838140.db2.gz YPWDMHUEWYIRAF-RIYZIHGNSA-N -1 3 384.885 3.474 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccc(F)cc2F)sc1Cl ZINC000188040526 1431838771 /nfs/dbraw/zinc/83/87/71/1431838771.db2.gz LQENQHDFVKQQQQ-CQSZACIVSA-N -1 3 381.853 3.174 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)C1=Cc2ccccc2OC1 ZINC000188044634 1431839458 /nfs/dbraw/zinc/83/94/58/1431839458.db2.gz PECWGVXYCYEFJQ-UHFFFAOYSA-N -1 3 376.381 3.015 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000188069298 1431842143 /nfs/dbraw/zinc/84/21/43/1431842143.db2.gz QKBPHLPQLLDQLG-FOWTUZBSSA-N -1 3 399.853 3.436 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000188159892 1431854696 /nfs/dbraw/zinc/85/46/96/1431854696.db2.gz MYDGKDCUOSRDLZ-WOJGMQOQSA-N -1 3 375.428 3.354 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000188201214 1431860062 /nfs/dbraw/zinc/86/00/62/1431860062.db2.gz MZMBHNFWKJHAIB-KPKJPENVSA-N -1 3 377.231 3.229 20 0 GGADHM CCc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c([O-])c1 ZINC000188222353 1431863020 /nfs/dbraw/zinc/86/30/20/1431863020.db2.gz JHADHOAJHJZXFJ-UHFFFAOYSA-N -1 3 380.488 3.432 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(C)([N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000188231451 1431864009 /nfs/dbraw/zinc/86/40/09/1431864009.db2.gz QKJPHWRDQMKZNX-UHFFFAOYSA-N -1 3 390.452 3.033 20 0 GGADHM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N-]OC[C@@H]1CCOC1 ZINC000188312763 1431872158 /nfs/dbraw/zinc/87/21/58/1431872158.db2.gz AGWSIIOAKHMVTL-MRXNPFEDSA-N -1 3 394.427 3.312 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000188328438 1431873639 /nfs/dbraw/zinc/87/36/39/1431873639.db2.gz PCSREDKYDUWNJD-OWBBTNHHSA-N -1 3 383.492 3.234 20 0 GGADHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000188359384 1431876721 /nfs/dbraw/zinc/87/67/21/1431876721.db2.gz FFFMJIHFMIQKTR-CQSZACIVSA-N -1 3 391.386 3.035 20 0 GGADHM CCOC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000188383194 1431879464 /nfs/dbraw/zinc/87/94/64/1431879464.db2.gz PFTAMLSCMHMFFB-IBGZPJMESA-N -1 3 384.476 3.185 20 0 GGADHM O=C(NN=c1cccn[n-]1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000188401232 1431881283 /nfs/dbraw/zinc/88/12/83/1431881283.db2.gz YHTMQABMXFLFMI-GFCCVEGCSA-N -1 3 381.267 3.079 20 0 GGADHM O=S(=O)([N-]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccco1 ZINC000188627460 1431908624 /nfs/dbraw/zinc/90/86/24/1431908624.db2.gz MNBMUHNNWHCJIL-UHFFFAOYSA-N -1 3 389.395 3.325 20 0 GGADHM CCc1ccc(C(=O)NCCCc2nnc(SC)n2CC(C)C)c([O-])c1 ZINC000188633437 1431910860 /nfs/dbraw/zinc/91/08/60/1431910860.db2.gz GYQGUMMQAVAEDK-UHFFFAOYSA-N -1 3 376.526 3.287 20 0 GGADHM Cc1ccc(CC(=O)NN=c2ccc(C(F)(F)F)n[n-]2)cc1Br ZINC000188635320 1431911850 /nfs/dbraw/zinc/91/18/50/1431911850.db2.gz GUTHVYDSWOJARO-UHFFFAOYSA-N -1 3 389.175 3.252 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCN1CC(C)(C)O ZINC000188714076 1431943913 /nfs/dbraw/zinc/94/39/13/1431943913.db2.gz LJLSFNSQCGNMPQ-ZDUSSCGKSA-N -1 3 376.884 3.116 20 0 GGADHM C[C@@](O)(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000188854124 1431998696 /nfs/dbraw/zinc/99/86/96/1431998696.db2.gz IUMSJMHGBVVSIX-MRXNPFEDSA-N -1 3 391.386 3.421 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)NOCc1ccc(F)cc1Br ZINC000188883587 1432003158 /nfs/dbraw/zinc/00/31/58/1432003158.db2.gz FUOGAPWGRATTNF-UHFFFAOYSA-N -1 3 387.180 3.364 20 0 GGADHM O=C(Cc1[nH]nc2ccccc21)[N-]OCc1ccc(F)cc1Br ZINC000188915503 1432008192 /nfs/dbraw/zinc/00/81/92/1432008192.db2.gz OWBJFTSIOGSZCA-UHFFFAOYSA-N -1 3 378.201 3.255 20 0 GGADHM O=Cc1cccc(OCCC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC000188925878 1432010117 /nfs/dbraw/zinc/01/01/17/1432010117.db2.gz IWWRACPOFXXJDC-UHFFFAOYSA-N -1 3 396.212 3.418 20 0 GGADHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)o2)c(Cl)c1 ZINC000189052410 1432034981 /nfs/dbraw/zinc/03/49/81/1432034981.db2.gz DNQYVZMTBXUZFX-UHFFFAOYSA-N -1 3 395.618 3.082 20 0 GGADHM O=C([N-]Cc1ccc(Cl)cc1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000189185616 1432060047 /nfs/dbraw/zinc/06/00/47/1432060047.db2.gz LWXDMEZFDARSAY-UHFFFAOYSA-N -1 3 396.674 3.430 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000189229445 1432067318 /nfs/dbraw/zinc/06/73/18/1432067318.db2.gz OUHOHBMRUHXYFH-UHFFFAOYSA-N -1 3 383.357 3.368 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(F)c1 ZINC000189229000 1432067640 /nfs/dbraw/zinc/06/76/40/1432067640.db2.gz SMPQSPBGLGHHKJ-UHFFFAOYSA-N -1 3 383.357 3.368 20 0 GGADHM Cc1ccc(-n2cc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cn2)c(C)c1 ZINC000189240233 1432069973 /nfs/dbraw/zinc/06/99/73/1432069973.db2.gz JBMJNKSJEXYWBE-UHFFFAOYSA-N -1 3 375.388 3.017 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)CC3(c4ccccc4)CC3)nc(=O)c2c1C ZINC000189286997 1432079001 /nfs/dbraw/zinc/07/90/01/1432079001.db2.gz KOCGJUUDHUOCIT-UHFFFAOYSA-N -1 3 397.500 3.243 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCc3cccnc32)ccc1F ZINC000189301595 1432081652 /nfs/dbraw/zinc/08/16/52/1432081652.db2.gz OGHHBWDVHNJBIJ-OAHLLOKOSA-N -1 3 392.452 3.142 20 0 GGADHM CC[C@@]1(CO)CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000189315755 1432084715 /nfs/dbraw/zinc/08/47/15/1432084715.db2.gz HVAMAPPNTARGHQ-OFNKIYASSA-N -1 3 396.487 3.017 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000189385462 1432096626 /nfs/dbraw/zinc/09/66/26/1432096626.db2.gz WWDZBOCLUUGHNU-UHFFFAOYSA-N -1 3 398.488 3.015 20 0 GGADHM CC(C)COC[C@H]([N-]S(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccco1 ZINC000189573231 1432163604 /nfs/dbraw/zinc/16/36/04/1432163604.db2.gz GRWGIDOGVXADOO-SFHVURJKSA-N -1 3 393.505 3.090 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c(=O)[n-]1 ZINC000189626099 1432182767 /nfs/dbraw/zinc/18/27/67/1432182767.db2.gz YIMRSHIQBZCXAN-UHFFFAOYSA-N -1 3 393.409 3.186 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](C)(Cc3ccccc3)[C@H](C)O)nc2)n1 ZINC000189648446 1432189502 /nfs/dbraw/zinc/18/95/02/1432189502.db2.gz RSFFMLXUMAAMAW-HJPURHCSSA-N -1 3 392.503 3.436 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c(=O)[n-]1 ZINC000189651798 1432191285 /nfs/dbraw/zinc/19/12/85/1432191285.db2.gz NFTKHCGRTQHBLJ-UHFFFAOYSA-N -1 3 397.397 3.269 20 0 GGADHM Cc1c(Br)cccc1CC(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000189755504 1432225023 /nfs/dbraw/zinc/22/50/23/1432225023.db2.gz VAQRZEJGPJLMEB-UHFFFAOYSA-N -1 3 389.175 3.252 20 0 GGADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189794805 1432237338 /nfs/dbraw/zinc/23/73/38/1432237338.db2.gz UURDAZAXLPTVMW-UHFFFAOYSA-N -1 3 397.801 3.021 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]c(=O)c4ccccc34)c2)n1 ZINC000189808271 1432240715 /nfs/dbraw/zinc/24/07/15/1432240715.db2.gz AOGLCJGBZYOQIJ-UHFFFAOYSA-N -1 3 386.411 3.093 20 0 GGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c([O-])c1 ZINC000189966240 1432291785 /nfs/dbraw/zinc/29/17/85/1432291785.db2.gz UTVXYYHBSLEIFP-UHFFFAOYSA-N -1 3 387.867 3.494 20 0 GGADHM CCc1ccc(C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)c([O-])c1 ZINC000189970076 1432293632 /nfs/dbraw/zinc/29/36/32/1432293632.db2.gz OKLOZLUDBVUIFZ-UHFFFAOYSA-N -1 3 376.840 3.237 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c([O-])c1 ZINC000190134234 1432325896 /nfs/dbraw/zinc/32/58/96/1432325896.db2.gz FGQHOPIPTNANQG-UHFFFAOYSA-N -1 3 388.508 3.436 20 0 GGADHM CCCCOc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c([O-])c1 ZINC000190144711 1432327663 /nfs/dbraw/zinc/32/76/63/1432327663.db2.gz HGNDKMUOEMDATP-UHFFFAOYSA-N -1 3 383.492 3.361 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)cc1 ZINC000190147399 1432328183 /nfs/dbraw/zinc/32/81/83/1432328183.db2.gz CUESKLSXUSPWHH-UHFFFAOYSA-N -1 3 388.489 3.334 20 0 GGADHM CCCNc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000190149650 1432328382 /nfs/dbraw/zinc/32/83/82/1432328382.db2.gz OCKIUADPNARDGE-UHFFFAOYSA-N -1 3 391.468 3.341 20 0 GGADHM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190239205 1432347109 /nfs/dbraw/zinc/34/71/09/1432347109.db2.gz QKWCGCFGYCELDR-UHFFFAOYSA-N -1 3 384.457 3.062 20 0 GGADHM O=C(c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1)N1CCCCC1 ZINC000190247008 1432348121 /nfs/dbraw/zinc/34/81/21/1432348121.db2.gz MAHGJCOAJGCKLA-UHFFFAOYSA-N -1 3 398.484 3.488 20 0 GGADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000190250217 1432348663 /nfs/dbraw/zinc/34/86/63/1432348663.db2.gz KYLDZZPKADSURK-UHFFFAOYSA-N -1 3 378.837 3.474 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CNC(=O)CCC)C2)c([O-])c1 ZINC000190261974 1432350279 /nfs/dbraw/zinc/35/02/79/1432350279.db2.gz PPOOVFZIHZRUKE-INIZCTEOSA-N -1 3 376.497 3.340 20 0 GGADHM Cc1cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cnc1Br ZINC000190338557 1432364204 /nfs/dbraw/zinc/36/42/04/1432364204.db2.gz KPDCSVZLKQJLFG-UHFFFAOYSA-N -1 3 381.251 3.328 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)ccc1F ZINC000190373439 1432369006 /nfs/dbraw/zinc/36/90/06/1432369006.db2.gz SQNWQXAAHGVVBH-UHFFFAOYSA-N -1 3 388.424 3.079 20 0 GGADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000190374407 1432369196 /nfs/dbraw/zinc/36/91/96/1432369196.db2.gz CMRGTPQPVLZAIV-UHFFFAOYSA-N -1 3 381.413 3.088 20 0 GGADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000190375391 1432369244 /nfs/dbraw/zinc/36/92/44/1432369244.db2.gz XRTAWRPTGHUOAU-UHFFFAOYSA-N -1 3 396.472 3.256 20 0 GGADHM O=C(NCCc1ccc(F)c(F)c1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000190375731 1432369686 /nfs/dbraw/zinc/36/96/86/1432369686.db2.gz YFJUILNDFBHKTG-UHFFFAOYSA-N -1 3 388.201 3.458 20 0 GGADHM C[C@@H](Oc1ccccc1F)C(=O)[N-]NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000190413601 1432377155 /nfs/dbraw/zinc/37/71/55/1432377155.db2.gz OQBXKYXCBREEEY-SECBINFHSA-N -1 3 388.292 3.212 20 0 GGADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000190550233 1432404330 /nfs/dbraw/zinc/40/43/30/1432404330.db2.gz AESJJJXHJWEYNK-SGTLLEGYSA-N -1 3 387.423 3.012 20 0 GGADHM CCC(C)(C)CNC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000190572018 1432409984 /nfs/dbraw/zinc/40/99/84/1432409984.db2.gz ZIBCORUYHAPSRD-UHFFFAOYSA-N -1 3 376.682 3.483 20 0 GGADHM O=S(=O)(c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1)N1CCCC1 ZINC000190781488 1432477531 /nfs/dbraw/zinc/47/75/31/1432477531.db2.gz KCCJWCXBYKEMLK-UHFFFAOYSA-N -1 3 398.887 3.259 20 0 GGADHM COc1cc(OC)c([N-]S(=O)(=O)CCCCCl)cc1Br ZINC000190829652 1432498563 /nfs/dbraw/zinc/49/85/63/1432498563.db2.gz HKRCUTAPMBBQCC-UHFFFAOYSA-N -1 3 386.695 3.227 20 0 GGADHM Cn1nc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000191062369 1432560435 /nfs/dbraw/zinc/56/04/35/1432560435.db2.gz BFMRKWRIABRELK-QMMMGPOBSA-N -1 3 394.179 3.417 20 0 GGADHM COc1ccc(CN2CC[C@@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000191078816 1432563341 /nfs/dbraw/zinc/56/33/41/1432563341.db2.gz RXMODGPPAGMIBX-MRXNPFEDSA-N -1 3 378.831 3.084 20 0 GGADHM CCc1cc2c(CN3CCSC[C@@H]3c3cnn(C)c3)cc(=O)oc2cc1[O-] ZINC000191175028 1432582603 /nfs/dbraw/zinc/58/26/03/1432582603.db2.gz RNRMYBBCFRPRMC-QGZVFWFLSA-N -1 3 385.489 3.085 20 0 GGADHM COc1ccc(F)c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1OC ZINC000191182398 1432585024 /nfs/dbraw/zinc/58/50/24/1432585024.db2.gz ZSALRHWJYVKDAK-UHFFFAOYSA-N -1 3 390.802 3.388 20 0 GGADHM CC(C)OCCCNC(=O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191229352 1432597446 /nfs/dbraw/zinc/59/74/46/1432597446.db2.gz QBTYAKIXNWIVJA-UHFFFAOYSA-N -1 3 386.895 3.328 20 0 GGADHM Cc1c([O-])ccc2c(CN(C)[C@@H]3CCN(Cc4ccccc4)C3=O)cc(=O)oc12 ZINC000191744644 1432716653 /nfs/dbraw/zinc/71/66/53/1432716653.db2.gz AJJKBXLFHWZNBS-LJQANCHMSA-N -1 3 392.455 3.040 20 0 GGADHM CCc1ccc(C(=O)N2CCCN(C(=O)c3ccc(CC)cc3O)CC2)c([O-])c1 ZINC000191772113 1432722550 /nfs/dbraw/zinc/72/25/50/1432722550.db2.gz WIBZGXYTFRDWKE-UHFFFAOYSA-N -1 3 396.487 3.211 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000191827340 1432733307 /nfs/dbraw/zinc/73/33/07/1432733307.db2.gz OVHYZSHTOKXHQH-NSHDSACASA-N -1 3 387.823 3.243 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000191827356 1432733668 /nfs/dbraw/zinc/73/36/68/1432733668.db2.gz OVHYZSHTOKXHQH-LLVKDONJSA-N -1 3 387.823 3.243 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccnc2Br)cc1[N+](=O)[O-] ZINC000191905420 1432752148 /nfs/dbraw/zinc/75/21/48/1432752148.db2.gz BBNHBISCAIHMFN-UHFFFAOYSA-N -1 3 386.227 3.170 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000191948492 1432764008 /nfs/dbraw/zinc/76/40/08/1432764008.db2.gz DNFXEATWHHVHHD-UHFFFAOYSA-N -1 3 385.489 3.329 20 0 GGADHM Cc1ccc(C(=O)NN=c2[n-]c(Br)cn3ccnc23)c(Cl)c1 ZINC000191958469 1432767211 /nfs/dbraw/zinc/76/72/11/1432767211.db2.gz XQXNOENTRBWHGV-UHFFFAOYSA-N -1 3 380.633 3.211 20 0 GGADHM CCCCc1nc(NC(=O)Cc2ccc(OC)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000191963259 1432768547 /nfs/dbraw/zinc/76/85/47/1432768547.db2.gz DSPHZYWDFBIXCY-UHFFFAOYSA-N -1 3 377.416 3.258 20 0 GGADHM CCCCc1nc(NC(=O)c2cc3c(s2)CCOC3)c(C(=O)OCC)[n-]1 ZINC000191963756 1432769092 /nfs/dbraw/zinc/76/90/92/1432769092.db2.gz XCCBCBFRJNGNFL-UHFFFAOYSA-N -1 3 377.466 3.316 20 0 GGADHM N#Cc1ccc(CN2CC[C@H](/N=C/c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000191966358 1432769904 /nfs/dbraw/zinc/76/99/04/1432769904.db2.gz PTGCIVVZNHEGJE-CBVHTYNASA-N -1 3 398.260 3.246 20 0 GGADHM CCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccccc1Cl ZINC000192121075 1432801143 /nfs/dbraw/zinc/80/11/43/1432801143.db2.gz UIMMFYYKGPWARO-UHFFFAOYSA-N -1 3 399.882 3.360 20 0 GGADHM CCc1c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1ccccc1Cl ZINC000192121349 1432801385 /nfs/dbraw/zinc/80/13/85/1432801385.db2.gz XVOBVBAOZRWIOL-UHFFFAOYSA-N -1 3 394.818 3.224 20 0 GGADHM CCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1cccc(Cl)c1 ZINC000192130953 1432803523 /nfs/dbraw/zinc/80/35/23/1432803523.db2.gz BXOLIFRXSCASMB-UHFFFAOYSA-N -1 3 399.882 3.360 20 0 GGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000192197308 1432814776 /nfs/dbraw/zinc/81/47/76/1432814776.db2.gz SVHBVOCKNYOTCS-MRXNPFEDSA-N -1 3 381.388 3.435 20 0 GGADHM NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192208468 1432816213 /nfs/dbraw/zinc/81/62/13/1432816213.db2.gz MALUTSVVLXVHMV-INIZCTEOSA-N -1 3 388.855 3.139 20 0 GGADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192208461 1432816249 /nfs/dbraw/zinc/81/62/49/1432816249.db2.gz MALUTSVVLXVHMV-MRXNPFEDSA-N -1 3 388.855 3.139 20 0 GGADHM CCCc1c(NC(=O)c2nnc3ccccc3c2[O-])cnn1-c1ccc(F)cc1 ZINC000192233729 1432820471 /nfs/dbraw/zinc/82/04/71/1432820471.db2.gz ANGSKLBKJYKBRZ-UHFFFAOYSA-N -1 3 391.406 3.453 20 0 GGADHM CCCc1c(NC(=O)c2cnc3c(cnn3C)c2[O-])cnn1-c1ccc(F)cc1 ZINC000192233931 1432820723 /nfs/dbraw/zinc/82/07/23/1432820723.db2.gz OVSGBVUSGKYLBH-UHFFFAOYSA-N -1 3 394.410 3.204 20 0 GGADHM Cc1cc(NC(=O)NNC(=O)c2ccccc2[O-])cc(C)c1Br ZINC000192418482 1432842773 /nfs/dbraw/zinc/84/27/73/1432842773.db2.gz OMYBLSKEBCIIAN-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM O=C(Nc1ccc2ncsc2c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000192462253 1432847523 /nfs/dbraw/zinc/84/75/23/1432847523.db2.gz BIZWFLTYKWHLKN-UHFFFAOYSA-N -1 3 391.449 3.128 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000192528513 1432855107 /nfs/dbraw/zinc/85/51/07/1432855107.db2.gz CZVVVVYPEIKSPJ-ZDUSSCGKSA-N -1 3 394.397 3.028 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1 ZINC000192547133 1432857804 /nfs/dbraw/zinc/85/78/04/1432857804.db2.gz GFLCNQLWJLDLOK-AWEZNQCLSA-N -1 3 375.542 3.123 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)c(F)c1 ZINC000192630571 1432868733 /nfs/dbraw/zinc/86/87/33/1432868733.db2.gz CDASTSUCAUWBHZ-MRXNPFEDSA-N -1 3 396.871 3.012 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]C(=O)C(F)(F)c3ncccc3C)n2)c1 ZINC000192637114 1432869719 /nfs/dbraw/zinc/86/97/19/1432869719.db2.gz RBQYAESJEXLWRM-GFCCVEGCSA-N -1 3 388.374 3.418 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192640311 1432869891 /nfs/dbraw/zinc/86/98/91/1432869891.db2.gz JLTSECPCNBHUQL-UHFFFAOYSA-N -1 3 395.419 3.052 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000192740188 1432882917 /nfs/dbraw/zinc/88/29/17/1432882917.db2.gz GRDNVFQCSIUHQE-ZDUSSCGKSA-N -1 3 379.787 3.371 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)c(F)c1 ZINC000192763010 1432886448 /nfs/dbraw/zinc/88/64/48/1432886448.db2.gz QOHSNUJFSQSGKI-AWEZNQCLSA-N -1 3 389.452 3.289 20 0 GGADHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccn(CC(F)F)n1 ZINC000192784690 1432890383 /nfs/dbraw/zinc/89/03/83/1432890383.db2.gz QVLXRQMMDYJQHH-VIFPVBQESA-N -1 3 387.173 3.416 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(F)F)ccc2C)cc1 ZINC000192802852 1432892731 /nfs/dbraw/zinc/89/27/31/1432892731.db2.gz PJOYSYLAPXTUSQ-UHFFFAOYSA-N -1 3 384.404 3.398 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cccc(Cl)c2C)c1 ZINC000192873124 1432901478 /nfs/dbraw/zinc/90/14/78/1432901478.db2.gz RJDQWUYOHZSREE-UHFFFAOYSA-N -1 3 397.656 3.494 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)C(C)C)c(Cl)cc1Cl ZINC000192940847 1432910793 /nfs/dbraw/zinc/91/07/93/1432910793.db2.gz GJYOMCBCAZZFSK-UHFFFAOYSA-N -1 3 381.325 3.408 20 0 GGADHM CN(CC(=O)Nc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192963604 1432913865 /nfs/dbraw/zinc/91/38/65/1432913865.db2.gz XTOIUXADSNHQGU-UHFFFAOYSA-N -1 3 394.456 3.315 20 0 GGADHM CCCCS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000192971533 1432915147 /nfs/dbraw/zinc/91/51/47/1432915147.db2.gz ABWICRLVKSFREY-UHFFFAOYSA-N -1 3 388.449 3.199 20 0 GGADHM O=C(c1cccc(O)c1[O-])N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000192985533 1432917442 /nfs/dbraw/zinc/91/74/42/1432917442.db2.gz VEBXNWMMHNPNIP-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM O=C(c1cccc(O)c1[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000192988785 1432917738 /nfs/dbraw/zinc/91/77/38/1432917738.db2.gz VADUEZLNDSLECU-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC(=O)OC(C)(C)C ZINC000192995314 1432918936 /nfs/dbraw/zinc/91/89/36/1432918936.db2.gz VOIJRULFCKSTES-VIFPVBQESA-N -1 3 383.297 3.185 20 0 GGADHM O=C(c1cc2cc(F)ccc2s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000193006722 1432921232 /nfs/dbraw/zinc/92/12/32/1432921232.db2.gz OXAVCJIYEGZLAI-UHFFFAOYSA-N -1 3 384.432 3.344 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)c1ccncc1C(F)(F)F ZINC000193053821 1432928895 /nfs/dbraw/zinc/92/88/95/1432928895.db2.gz WZSXYDRHJJCXTG-UHFFFAOYSA-N -1 3 378.137 3.482 20 0 GGADHM O=C([N-]NC(=O)c1ccncc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000193053821 1432928899 /nfs/dbraw/zinc/92/88/99/1432928899.db2.gz WZSXYDRHJJCXTG-UHFFFAOYSA-N -1 3 378.137 3.482 20 0 GGADHM O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193057815 1432929392 /nfs/dbraw/zinc/92/93/92/1432929392.db2.gz WNRNJNMUGDMIJU-FQEVSTJZSA-N -1 3 379.460 3.011 20 0 GGADHM CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000193100392 1432935866 /nfs/dbraw/zinc/93/58/66/1432935866.db2.gz RPPUWXZUBMEXJO-IBGZPJMESA-N -1 3 390.439 3.102 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000193152630 1432945690 /nfs/dbraw/zinc/94/56/90/1432945690.db2.gz PIJSETVLSSICIU-HNNXBMFYSA-N -1 3 390.915 3.062 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000193329816 1432980370 /nfs/dbraw/zinc/98/03/70/1432980370.db2.gz WXDFMPIHJJPAJI-ZDUSSCGKSA-N -1 3 396.896 3.393 20 0 GGADHM COc1cccc(Cn2ccc3ccc([N-]S(=O)(=O)C[C@H](C)OC)cc32)c1 ZINC000193338019 1432981750 /nfs/dbraw/zinc/98/17/50/1432981750.db2.gz STPJROLBVZIZTQ-HNNXBMFYSA-N -1 3 388.489 3.475 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1(c2ccccc2)CCOCC1 ZINC000193340681 1432982103 /nfs/dbraw/zinc/98/21/03/1432982103.db2.gz QBQBPCMIVGGXQE-UHFFFAOYSA-N -1 3 394.471 3.088 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000193455135 1433002204 /nfs/dbraw/zinc/00/22/04/1433002204.db2.gz DSEIVVWJSSDRKF-UHFFFAOYSA-N -1 3 388.489 3.431 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c[nH]nc3c2)ccc1F ZINC000193487706 1433007408 /nfs/dbraw/zinc/00/74/08/1433007408.db2.gz MRIAPRFMUQEEOH-UHFFFAOYSA-N -1 3 390.440 3.031 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)[n-]1 ZINC000193536242 1433016307 /nfs/dbraw/zinc/01/63/07/1433016307.db2.gz MAEAVGFZQUDAAM-UHFFFAOYSA-N -1 3 375.450 3.368 20 0 GGADHM O=C([N-]c1ccc(F)nc1F)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000193680081 1433039642 /nfs/dbraw/zinc/03/96/42/1433039642.db2.gz JEKMUNUCBFMYEO-UHFFFAOYSA-N -1 3 387.243 3.351 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000193700292 1433042936 /nfs/dbraw/zinc/04/29/36/1433042936.db2.gz RDTXYOKHLFZXPH-UHFFFAOYSA-N -1 3 380.470 3.321 20 0 GGADHM O=C(CSc1nc2n[nH]cc2c(=O)[n-]1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000193736083 1433049825 /nfs/dbraw/zinc/04/98/25/1433049825.db2.gz HYXKMKSZWRSVRJ-KRWDZBQOSA-N -1 3 397.504 3.176 20 0 GGADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCNC(=O)c4ccc([O-])cc4)cc3c2C1 ZINC000193755086 1433053154 /nfs/dbraw/zinc/05/31/54/1433053154.db2.gz SUAMGSVYDRTPHS-CQSZACIVSA-N -1 3 391.471 3.158 20 0 GGADHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000193821665 1433066909 /nfs/dbraw/zinc/06/69/09/1433066909.db2.gz DZZZNRYAECTZLH-UHFFFAOYSA-N -1 3 393.165 3.436 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)nc1Cl)c1ccc(Cl)cc1 ZINC000193997997 1433098367 /nfs/dbraw/zinc/09/83/67/1433098367.db2.gz QKKSYQMWSNMNHV-ZDUSSCGKSA-N -1 3 375.277 3.363 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1C ZINC000194186273 1433134440 /nfs/dbraw/zinc/13/44/40/1433134440.db2.gz ZLQJGPCMRIMPMX-UHFFFAOYSA-N -1 3 388.489 3.235 20 0 GGADHM COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc12 ZINC000194258713 1433150620 /nfs/dbraw/zinc/15/06/20/1433150620.db2.gz ZITDJYHBUFSIIQ-UHFFFAOYSA-N -1 3 390.439 3.152 20 0 GGADHM CC(C)CN1Cc2cccc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c2C1 ZINC000194381443 1433169427 /nfs/dbraw/zinc/16/94/27/1433169427.db2.gz DHTWHBDGBFBROU-INIZCTEOSA-N -1 3 385.430 3.300 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)c([O-])c1 ZINC000194503273 1433188534 /nfs/dbraw/zinc/18/85/34/1433188534.db2.gz ZXADKUFDHMPJKB-CQSZACIVSA-N -1 3 388.468 3.040 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)n1 ZINC000194552109 1433196047 /nfs/dbraw/zinc/19/60/47/1433196047.db2.gz UGDXLVCDXILZTG-UHFFFAOYSA-N -1 3 385.427 3.437 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc(-c2nnc3n2CCC3)cc1 ZINC000194645721 1433210446 /nfs/dbraw/zinc/21/04/46/1433210446.db2.gz QWJLLVIUYSCDQC-UHFFFAOYSA-N -1 3 390.415 3.111 20 0 GGADHM O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(O)cc1[O-] ZINC000194648807 1433210955 /nfs/dbraw/zinc/21/09/55/1433210955.db2.gz FGAMUSVJEOMLSB-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM COCCCN1Cc2cccc([N-]S(=O)(=O)Cc3c(F)cccc3F)c2C1 ZINC000194690363 1433215934 /nfs/dbraw/zinc/21/59/34/1433215934.db2.gz MGMMLGVRRXBBSD-UHFFFAOYSA-N -1 3 396.459 3.259 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](C)c3ccccn3)nc(=O)c2c1C ZINC000194716754 1433219175 /nfs/dbraw/zinc/21/91/75/1433219175.db2.gz KFLRVJFBPPIVOL-RYUDHWBXSA-N -1 3 386.477 3.277 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@H](C)c3cccnc3)nc(=O)c2c1C ZINC000194725645 1433220642 /nfs/dbraw/zinc/22/06/42/1433220642.db2.gz HWIHTTXYHFMVMN-VXGBXAGGSA-N -1 3 386.477 3.277 20 0 GGADHM COc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)ccc1Cl ZINC000194730555 1433221094 /nfs/dbraw/zinc/22/10/94/1433221094.db2.gz BRXTYRSRDXBWNB-UHFFFAOYSA-N -1 3 398.843 3.181 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000194732486 1433221426 /nfs/dbraw/zinc/22/14/26/1433221426.db2.gz BDPSPLWARFIIEK-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000194732486 1433221427 /nfs/dbraw/zinc/22/14/27/1433221427.db2.gz BDPSPLWARFIIEK-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM Cc1c(Br)ccc(NC(=O)c2nnc3ccccc3c2[O-])c1F ZINC000194780068 1433230305 /nfs/dbraw/zinc/23/03/05/1433230305.db2.gz HPGVMJRSWLAEEJ-UHFFFAOYSA-N -1 3 376.185 3.385 20 0 GGADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000194792303 1433233344 /nfs/dbraw/zinc/23/33/44/1433233344.db2.gz LALPGIHPRCLSTI-UHFFFAOYSA-N -1 3 389.521 3.426 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000194830787 1433242988 /nfs/dbraw/zinc/24/29/88/1433242988.db2.gz ZVJXXXQRVGJEPU-LBPRGKRZSA-N -1 3 382.436 3.108 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1F ZINC000194909834 1433262538 /nfs/dbraw/zinc/26/25/38/1433262538.db2.gz HAKYMCMYRBIIEV-KRWDZBQOSA-N -1 3 391.424 3.363 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cc(C)cc(C)c2)[n-]c1-c1ccccc1 ZINC000195061397 1433286980 /nfs/dbraw/zinc/28/69/80/1433286980.db2.gz ZGMQMYJUERTBOW-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cc(C)cc(C)c2)nc1-c1ccccc1 ZINC000195061397 1433286982 /nfs/dbraw/zinc/28/69/82/1433286982.db2.gz ZGMQMYJUERTBOW-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cnn[n-]1 ZINC000195112122 1433294037 /nfs/dbraw/zinc/29/40/37/1433294037.db2.gz OLLYFIFMGRAONR-UHFFFAOYSA-N -1 3 381.823 3.190 20 0 GGADHM O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1c[n-]nn1 ZINC000195112122 1433294039 /nfs/dbraw/zinc/29/40/39/1433294039.db2.gz OLLYFIFMGRAONR-UHFFFAOYSA-N -1 3 381.823 3.190 20 0 GGADHM O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cn[n-]n1 ZINC000195112122 1433294040 /nfs/dbraw/zinc/29/40/40/1433294040.db2.gz OLLYFIFMGRAONR-UHFFFAOYSA-N -1 3 381.823 3.190 20 0 GGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)s1 ZINC000195133585 1433297314 /nfs/dbraw/zinc/29/73/14/1433297314.db2.gz URJUFQGECBLDIM-UHFFFAOYSA-N -1 3 388.518 3.419 20 0 GGADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)nc1Cl ZINC000195137857 1433297780 /nfs/dbraw/zinc/29/77/80/1433297780.db2.gz CBADUONJERBNFQ-LLVKDONJSA-N -1 3 390.292 3.097 20 0 GGADHM O=C(CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)N1CCCCC1 ZINC000195205617 1433307062 /nfs/dbraw/zinc/30/70/62/1433307062.db2.gz IRUPQKQSDSHMEK-UHFFFAOYSA-N -1 3 389.502 3.490 20 0 GGADHM CCOc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c(C)c1 ZINC000195351317 1433321644 /nfs/dbraw/zinc/32/16/44/1433321644.db2.gz FARCXUFFYUNWCM-UHFFFAOYSA-N -1 3 392.459 3.419 20 0 GGADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(O)cc1[O-] ZINC000195381263 1433324410 /nfs/dbraw/zinc/32/44/10/1433324410.db2.gz PCMDBHHPFCGPDI-UHFFFAOYSA-N -1 3 386.411 3.276 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1ccc2ccccc2c1 ZINC000195406570 1433326231 /nfs/dbraw/zinc/32/62/31/1433326231.db2.gz LCDPXWYWKXRAGD-SFHVURJKSA-N -1 3 389.498 3.278 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000195437461 1433329590 /nfs/dbraw/zinc/32/95/90/1433329590.db2.gz NOWWVJCXGWYYLM-CQSZACIVSA-N -1 3 387.390 3.440 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000195437466 1433329628 /nfs/dbraw/zinc/32/96/28/1433329628.db2.gz NOWWVJCXGWYYLM-AWEZNQCLSA-N -1 3 387.390 3.440 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)cc12 ZINC000195440072 1433329829 /nfs/dbraw/zinc/32/98/29/1433329829.db2.gz LBOLYYUJXNOFIK-UHFFFAOYSA-N -1 3 399.520 3.314 20 0 GGADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000195658217 1433343511 /nfs/dbraw/zinc/34/35/11/1433343511.db2.gz AUZIKODJFSPRAD-HIFRSBDPSA-N -1 3 384.517 3.459 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000221868869 1433366194 /nfs/dbraw/zinc/36/61/94/1433366194.db2.gz VNSWWJCKVNDSGT-SNVBAGLBSA-N -1 3 380.919 3.079 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000236717670 1433376705 /nfs/dbraw/zinc/37/67/05/1433376705.db2.gz SKEXSZYLYJHTNZ-UHFFFAOYSA-N -1 3 382.526 3.049 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000237143473 1433390555 /nfs/dbraw/zinc/39/05/55/1433390555.db2.gz OBHRMVMUTFNHON-UHFFFAOYSA-N -1 3 390.867 3.007 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](N)c3ccccc3)cc2)cc1 ZINC000237858680 1433429504 /nfs/dbraw/zinc/42/95/04/1433429504.db2.gz PQYAJASSONVORX-HXUWFJFHSA-N -1 3 395.484 3.434 20 0 GGADHM N[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000237863058 1433429972 /nfs/dbraw/zinc/42/99/72/1433429972.db2.gz QGLBKKQLZSYKKN-LJQANCHMSA-N -1 3 381.457 3.126 20 0 GGADHM O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000238089815 1433442541 /nfs/dbraw/zinc/44/25/41/1433442541.db2.gz FZJTUVCAEBCDKU-INIZCTEOSA-N -1 3 391.855 3.414 20 0 GGADHM CC(C)C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245785582 1433517200 /nfs/dbraw/zinc/51/72/00/1433517200.db2.gz IBCAEOOHNKVPIA-IIAWOOMASA-N -1 3 390.867 3.350 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1Cl ZINC000245967088 1433551493 /nfs/dbraw/zinc/55/14/93/1433551493.db2.gz DXIUSNYTMOJIRL-JBBXEZCESA-N -1 3 394.855 3.054 20 0 GGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000246316293 1433594069 /nfs/dbraw/zinc/59/40/69/1433594069.db2.gz GVQLKRMSMDXSKJ-IIDMSEBBSA-N -1 3 394.537 3.034 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000246804266 1433670660 /nfs/dbraw/zinc/67/06/60/1433670660.db2.gz PRXZVPFJWHWVTI-KCPJHIHWSA-N -1 3 393.402 3.471 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000247346809 1433710910 /nfs/dbraw/zinc/71/09/10/1433710910.db2.gz GVYFBRYCLDEJHB-CABCVRRESA-N -1 3 387.459 3.224 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000247800815 1433751543 /nfs/dbraw/zinc/75/15/43/1433751543.db2.gz FTEXMXOQXVQRTK-GOSISDBHSA-N -1 3 388.464 3.244 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@@H]1c1cccs1 ZINC000247801455 1433752247 /nfs/dbraw/zinc/75/22/47/1433752247.db2.gz GCRVMAAAFPUHSW-OAHLLOKOSA-N -1 3 394.493 3.305 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N(Cc1ccccc1)C1CC1 ZINC000247824912 1433753107 /nfs/dbraw/zinc/75/31/07/1433753107.db2.gz ISGRAPCZPZIUOC-UHFFFAOYSA-N -1 3 388.464 3.071 20 0 GGADHM O=c1[n-]nc(SCc2nccn2Cc2ccccc2)n1CCc1ccccc1 ZINC000247963968 1433759755 /nfs/dbraw/zinc/75/97/55/1433759755.db2.gz YMMUZXUKYFVBNV-UHFFFAOYSA-N -1 3 391.500 3.351 20 0 GGADHM CC[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000248217985 1433780724 /nfs/dbraw/zinc/78/07/24/1433780724.db2.gz HBAUWSXXNMHIHT-AWEZNQCLSA-N -1 3 390.480 3.190 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@@H]3C[C@@H](O)c3ccccc3)cc(=O)oc12 ZINC000248223128 1433780837 /nfs/dbraw/zinc/78/08/37/1433780837.db2.gz OSPDZRHEZMSYCR-GHTZIAJQSA-N -1 3 395.455 3.132 20 0 GGADHM CC[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H](C)O1 ZINC000248529518 1433807087 /nfs/dbraw/zinc/80/70/87/1433807087.db2.gz DSEFAKKDHZKPJL-ZLGUVYLKSA-N -1 3 396.487 3.279 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000248608580 1433811107 /nfs/dbraw/zinc/81/11/07/1433811107.db2.gz VUMHYJNXJOESJD-GDNZZTSVSA-N -1 3 383.286 3.291 20 0 GGADHM CCOc1cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000248899947 1433828525 /nfs/dbraw/zinc/82/85/25/1433828525.db2.gz WOLDWWVJUAYOLJ-OFQRWUPVSA-N -1 3 396.915 3.158 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)N[N-]C(=O)c2cc(OC)ccc2Br)CC1 ZINC000248958481 1433830559 /nfs/dbraw/zinc/83/05/59/1433830559.db2.gz FHZCNAKKCALOCO-HAQNSBGRSA-N -1 3 383.286 3.435 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)[n-]c1-c1ccccc1 ZINC000249196164 1433838697 /nfs/dbraw/zinc/83/86/97/1433838697.db2.gz BTCNOESYYPLLLA-UNEWFSDZSA-N -1 3 389.521 3.242 20 0 GGADHM C[C@@H]1CN([C@H](CNC(=O)c2ccccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000251889066 1433861395 /nfs/dbraw/zinc/86/13/95/1433861395.db2.gz VKUHNBKNOCXUGI-CXAGYDPISA-N -1 3 392.858 3.377 20 0 GGADHM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000253424312 1433867372 /nfs/dbraw/zinc/86/73/72/1433867372.db2.gz DJLFAKDHGRUENY-UHFFFAOYSA-N -1 3 393.472 3.492 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](COC)C3)nc(=O)c2c1C ZINC000253542614 1433868495 /nfs/dbraw/zinc/86/84/95/1433868495.db2.gz IVDXPFWOWDRBTQ-CHWSQXEVSA-N -1 3 393.509 3.301 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCO[C@@H](C)C3)nc(=O)c2c1C ZINC000253540717 1433868531 /nfs/dbraw/zinc/86/85/31/1433868531.db2.gz HAHNJRZVYVNUJC-JQWIXIFHSA-N -1 3 379.482 3.054 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)[C@H]3C[C@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000253550059 1433869027 /nfs/dbraw/zinc/86/90/27/1433869027.db2.gz OQJTUMVDCMGOLX-WLRWDXFRSA-N -1 3 393.509 3.127 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1C ZINC000253587304 1433869662 /nfs/dbraw/zinc/86/96/62/1433869662.db2.gz MMVLRBGYASOHQZ-NWDGAFQWSA-N -1 3 387.461 3.288 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCO[C@@](C)(CC)C3)nc(=O)c2c1C ZINC000253586802 1433869700 /nfs/dbraw/zinc/86/97/00/1433869700.db2.gz JEIWCBGPFCZDGY-BLVKFPJESA-N -1 3 393.509 3.444 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)n1 ZINC000253609972 1433870452 /nfs/dbraw/zinc/87/04/52/1433870452.db2.gz WAJGDINDCSGLJP-HBUWYVDXSA-N -1 3 396.491 3.291 20 0 GGADHM CCOc1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1[O-] ZINC000254384188 1433870983 /nfs/dbraw/zinc/87/09/83/1433870983.db2.gz PYESIJVHJXHAEU-UHFFFAOYSA-N -1 3 393.237 3.083 20 0 GGADHM O=C(/C=C\c1ccc(I)o1)NCc1ccc([O-])c(F)c1 ZINC000255024134 1433874309 /nfs/dbraw/zinc/87/43/09/1433874309.db2.gz DIRVGALVNGNIPH-UTCJRWHESA-N -1 3 387.148 3.059 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2ccc(OCC3CCOCC3)cc2)c2ccccc21 ZINC000255312049 1433880028 /nfs/dbraw/zinc/88/00/28/1433880028.db2.gz ASQZHRSHHHUHIZ-MOSHPQCFSA-N -1 3 378.428 3.215 20 0 GGADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000255360090 1433881196 /nfs/dbraw/zinc/88/11/96/1433881196.db2.gz VXYVSJNXCHBQRL-BLIJAFNYSA-N -1 3 389.370 3.166 20 0 GGADHM C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000255368304 1433881450 /nfs/dbraw/zinc/88/14/50/1433881450.db2.gz MNTHVWPJQVSGJC-NYHXXUGCSA-N -1 3 387.436 3.451 20 0 GGADHM CCOCCCn1c2ccccc2[nH]c1=NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255422385 1433882599 /nfs/dbraw/zinc/88/25/99/1433882599.db2.gz GBXNWBVTIZWWRC-VKAVYKQESA-N -1 3 390.443 3.186 20 0 GGADHM O=S(=O)(/C=C\c1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000255472879 1433883209 /nfs/dbraw/zinc/88/32/09/1433883209.db2.gz XTMINSIFHSBMGF-FPLPWBNLSA-N -1 3 386.242 3.384 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255767640 1433889287 /nfs/dbraw/zinc/88/92/87/1433889287.db2.gz FAQAPBBEJBZASN-LGMDPLHJSA-N -1 3 378.428 3.294 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C2)c(Cl)cc1Cl ZINC000261389650 1433895462 /nfs/dbraw/zinc/89/54/62/1433895462.db2.gz NBJIBHWBFXOHJZ-NSHDSACASA-N -1 3 393.336 3.410 20 0 GGADHM O=C(NCCCc1cccc(Br)c1)c1nnc2ccccc2c1[O-] ZINC000261445289 1433896242 /nfs/dbraw/zinc/89/62/42/1433896242.db2.gz JXDCUJBIFJGGJD-UHFFFAOYSA-N -1 3 386.249 3.461 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc(C3(N)CCC3)no2)cc1 ZINC000261871491 1433908195 /nfs/dbraw/zinc/90/81/95/1433908195.db2.gz VGTIGMGSYQACSB-UHFFFAOYSA-N -1 3 384.461 3.184 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(C4(N)CCC4)no3)cc2)cc1 ZINC000262035850 1433923576 /nfs/dbraw/zinc/92/35/76/1433923576.db2.gz XSRADFJJONNHBZ-UHFFFAOYSA-N -1 3 384.461 3.184 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262072600 1433925759 /nfs/dbraw/zinc/92/57/59/1433925759.db2.gz DDDCWSKLHLQVRH-HYFFOGBASA-N -1 3 396.491 3.003 20 0 GGADHM C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262109504 1433927222 /nfs/dbraw/zinc/92/72/22/1433927222.db2.gz IKNBWJGJHCKAPX-AUSJPIAWSA-N -1 3 391.537 3.384 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)CN3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)c2)cs1 ZINC000262167867 1433929561 /nfs/dbraw/zinc/92/95/61/1433929561.db2.gz OVGRYLHEEIAANT-MGPUTAFESA-N -1 3 385.489 3.244 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H](CCC(=O)[O-])C3)ccc2c1 ZINC000263028737 1433978677 /nfs/dbraw/zinc/97/86/77/1433978677.db2.gz AZOHRQSIMYALFL-KRWDZBQOSA-N -1 3 398.503 3.384 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000263113092 1433986631 /nfs/dbraw/zinc/98/66/31/1433986631.db2.gz BVDXAIRMYBEIOL-JRGCBEDISA-N -1 3 380.488 3.129 20 0 GGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000263328710 1434002314 /nfs/dbraw/zinc/00/23/14/1434002314.db2.gz LBIHBSZXNWRUQT-DZGCQCFKSA-N -1 3 398.425 3.239 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccc(Cl)cc1 ZINC000263355230 1434003100 /nfs/dbraw/zinc/00/31/00/1434003100.db2.gz QQJPKPDBAZSUDB-YXJHDRRASA-N -1 3 395.931 3.475 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263355228 1434003206 /nfs/dbraw/zinc/00/32/06/1434003206.db2.gz QQJPKPDBAZSUDB-QILLFSRXSA-N -1 3 395.931 3.475 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2cccc(O)c2)cc1OC ZINC000263903583 1434047477 /nfs/dbraw/zinc/04/74/77/1434047477.db2.gz KAHIRDOWAWZLLJ-GFCCVEGCSA-N -1 3 393.465 3.045 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2cccc(O)c2)cc1OC ZINC000263903584 1434047516 /nfs/dbraw/zinc/04/75/16/1434047516.db2.gz KAHIRDOWAWZLLJ-LBPRGKRZSA-N -1 3 393.465 3.045 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3ccccc3F)n2)n1C[C@@H]1CCCO1 ZINC000263979530 1434057098 /nfs/dbraw/zinc/05/70/98/1434057098.db2.gz VAEAMDWXCBQIGB-LBPRGKRZSA-N -1 3 392.481 3.305 20 0 GGADHM CCOCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000263983208 1434057529 /nfs/dbraw/zinc/05/75/29/1434057529.db2.gz KAIQTDBAJODIOC-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1OC ZINC000264066853 1434068398 /nfs/dbraw/zinc/06/83/98/1434068398.db2.gz YHJXZORLNLQOEY-INIZCTEOSA-N -1 3 381.498 3.253 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)on1 ZINC000264274413 1434091280 /nfs/dbraw/zinc/09/12/80/1434091280.db2.gz NZVGIYDTWNDTIU-UHFFFAOYSA-N -1 3 389.355 3.195 20 0 GGADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000264285255 1434092689 /nfs/dbraw/zinc/09/26/89/1434092689.db2.gz GGBTYMDTVFJDSR-GFCCVEGCSA-N -1 3 376.434 3.013 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2OC(C)C)cc1OC ZINC000264331584 1434098131 /nfs/dbraw/zinc/09/81/31/1434098131.db2.gz VKIXZPQSFWYFBJ-UHFFFAOYSA-N -1 3 392.477 3.496 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c(=O)[n-]1 ZINC000265268396 1434210450 /nfs/dbraw/zinc/21/04/50/1434210450.db2.gz JUXZQLBOTYKDHX-UHFFFAOYSA-N -1 3 381.432 3.259 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)c(C)c1C ZINC000265271077 1434210614 /nfs/dbraw/zinc/21/06/14/1434210614.db2.gz GTTDVVIZGKVIAL-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1OC ZINC000265446480 1434235413 /nfs/dbraw/zinc/23/54/13/1434235413.db2.gz YEVKTGRWOVGILI-CQSZACIVSA-N -1 3 392.502 3.285 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c([O-])c1 ZINC000265607116 1434250177 /nfs/dbraw/zinc/25/01/77/1434250177.db2.gz NLNBDSHBUUTHOK-UHFFFAOYSA-N -1 3 398.415 3.077 20 0 GGADHM COCc1c2ccccc2oc1C(=O)[N-]c1nnc(CCCC(=O)OC)s1 ZINC000265731325 1434261001 /nfs/dbraw/zinc/26/10/01/1434261001.db2.gz RSGNPEHGASSCHW-UHFFFAOYSA-N -1 3 389.433 3.179 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)on1 ZINC000266151663 1434307106 /nfs/dbraw/zinc/30/71/06/1434307106.db2.gz FTHRAVWUGYORTQ-UHFFFAOYSA-N -1 3 395.481 3.024 20 0 GGADHM C[C@H](C=C(O)c1ccccc1F)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000266215925 1434311008 /nfs/dbraw/zinc/31/10/08/1434311008.db2.gz AKOPZWDGDFHTSM-LLVKDONJSA-N -1 3 387.436 3.404 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1OC ZINC000266573191 1434350674 /nfs/dbraw/zinc/35/06/74/1434350674.db2.gz YFEQBAXUQGYZQQ-CJNGLKHVSA-N -1 3 381.498 3.253 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)cc1C ZINC000266651350 1434359135 /nfs/dbraw/zinc/35/91/35/1434359135.db2.gz YOPXJSXITNTCLR-UHFFFAOYSA-N -1 3 389.477 3.033 20 0 GGADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000266682572 1434363323 /nfs/dbraw/zinc/36/33/23/1434363323.db2.gz BDSKVDHGKWIXLR-UHFFFAOYSA-N -1 3 379.478 3.358 20 0 GGADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000266731822 1434368743 /nfs/dbraw/zinc/36/87/43/1434368743.db2.gz MADQASJJRXSRJO-PIGZYNQJSA-N -1 3 387.411 3.201 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000266731816 1434368869 /nfs/dbraw/zinc/36/88/69/1434368869.db2.gz MADQASJJRXSRJO-DIFFPNOSSA-N -1 3 387.411 3.201 20 0 GGADHM COCc1nc(C)cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000266760251 1434372207 /nfs/dbraw/zinc/37/22/07/1434372207.db2.gz VQNZVUHHSIYYMY-UHFFFAOYSA-N -1 3 390.871 3.146 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000266970216 1434394358 /nfs/dbraw/zinc/39/43/58/1434394358.db2.gz BJARYQVGAUSQBX-OAHLLOKOSA-N -1 3 398.507 3.434 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000267039141 1434402089 /nfs/dbraw/zinc/40/20/89/1434402089.db2.gz TXSJHTDHYIAKJN-VXGBXAGGSA-N -1 3 388.493 3.078 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000267043325 1434402286 /nfs/dbraw/zinc/40/22/86/1434402286.db2.gz USIRWTOCIXEKQN-UHFFFAOYSA-N -1 3 390.871 3.396 20 0 GGADHM COc1cc([N-]S(=O)(=O)CCOC(C)C)ccc1NC(=O)OC(C)(C)C ZINC000267241171 1434416073 /nfs/dbraw/zinc/41/60/73/1434416073.db2.gz BKAAHVDDTKARRH-UHFFFAOYSA-N -1 3 388.486 3.209 20 0 GGADHM O=C(N[C@@H]1CCCSC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000267280282 1434418956 /nfs/dbraw/zinc/41/89/56/1434418956.db2.gz RZZDEPGOOBDULP-CQSZACIVSA-N -1 3 394.493 3.252 20 0 GGADHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC(C)C)C2CCN(C)CC2)n1 ZINC000267530053 1434443837 /nfs/dbraw/zinc/44/38/37/1434443837.db2.gz RTBJUSIYAJBENX-UHFFFAOYSA-N -1 3 388.487 3.218 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1c(F)cccc1OC(F)F ZINC000267655979 1434453208 /nfs/dbraw/zinc/45/32/08/1434453208.db2.gz BCAVLAWYZHEGAF-UHFFFAOYSA-N -1 3 383.370 3.459 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@H](C)[C@@H](C)C3)c2)c1 ZINC000267699514 1434456398 /nfs/dbraw/zinc/45/63/98/1434456398.db2.gz AFCRXUNWXIVDEM-KBPBESRZSA-N -1 3 398.459 3.390 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)cc1 ZINC000267730558 1434459103 /nfs/dbraw/zinc/45/91/03/1434459103.db2.gz CTEDXVRCTHWLRS-UHFFFAOYSA-N -1 3 380.441 3.117 20 0 GGADHM CO[C@H](C)c1nc(CN2CCCN(C(=O)c3ccc(C)cc3[O-])CC2)cs1 ZINC000267911558 1434476257 /nfs/dbraw/zinc/47/62/57/1434476257.db2.gz XWYTZNBSNCUTRI-OAHLLOKOSA-N -1 3 389.521 3.213 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000268058657 1434491880 /nfs/dbraw/zinc/49/18/80/1434491880.db2.gz SJGMGHKJUUHFTN-UHFFFAOYSA-N -1 3 383.433 3.392 20 0 GGADHM CCCC(O)(CCC)CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000268070147 1434492723 /nfs/dbraw/zinc/49/27/23/1434492723.db2.gz JSEGLTZLCBBJAW-UHFFFAOYSA-N -1 3 386.514 3.117 20 0 GGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)n1 ZINC000268196652 1434501188 /nfs/dbraw/zinc/50/11/88/1434501188.db2.gz XOYPRJJQLVFRND-UHFFFAOYSA-N -1 3 391.493 3.202 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cncc(F)c2)CC1 ZINC000268223120 1434503261 /nfs/dbraw/zinc/50/32/61/1434503261.db2.gz CUXKKXIZSWHTSZ-UHFFFAOYSA-N -1 3 377.803 3.071 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)n1 ZINC000268312140 1434511133 /nfs/dbraw/zinc/51/11/33/1434511133.db2.gz HQHDPBPBHHKEIS-ZIAGYGMSSA-N -1 3 398.488 3.233 20 0 GGADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000268543768 1434532003 /nfs/dbraw/zinc/53/20/03/1434532003.db2.gz LRMVCRGRJSBKMV-CYBMUJFWSA-N -1 3 395.463 3.221 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)n1 ZINC000268574737 1434535622 /nfs/dbraw/zinc/53/56/22/1434535622.db2.gz JCNLXDJTHHBFPA-NSHDSACASA-N -1 3 377.466 3.022 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2cc(OC)ccc2OC)n1 ZINC000268574734 1434535699 /nfs/dbraw/zinc/53/56/99/1434535699.db2.gz JCNLXDJTHHBFPA-LLVKDONJSA-N -1 3 377.466 3.022 20 0 GGADHM COc1ccc(Cl)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000268654748 1434544520 /nfs/dbraw/zinc/54/45/20/1434544520.db2.gz SFJGBWAHKXEORL-UHFFFAOYSA-N -1 3 389.839 3.044 20 0 GGADHM CC(C)Oc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000268653583 1434544596 /nfs/dbraw/zinc/54/45/96/1434544596.db2.gz SDTWOZVYGRTPBQ-UHFFFAOYSA-N -1 3 383.448 3.169 20 0 GGADHM COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000268969661 1434577128 /nfs/dbraw/zinc/57/71/28/1434577128.db2.gz GDBZWSXTNHGZAZ-CHWSQXEVSA-N -1 3 386.477 3.261 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCC[C@@H](C)C(C)=O)cc1OC ZINC000269207083 1434607344 /nfs/dbraw/zinc/60/73/44/1434607344.db2.gz UREMNNVFPQIOHL-CYBMUJFWSA-N -1 3 384.498 3.181 20 0 GGADHM O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000269665514 1434667776 /nfs/dbraw/zinc/66/77/76/1434667776.db2.gz HBCGVUMCUIPCJN-UONOGXRCSA-N -1 3 392.484 3.427 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000269696127 1434669940 /nfs/dbraw/zinc/66/99/40/1434669940.db2.gz LGFYCXGIHWKWFW-GFCCVEGCSA-N -1 3 399.438 3.003 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1OC ZINC000269811162 1434677601 /nfs/dbraw/zinc/67/76/01/1434677601.db2.gz UUGIEOIYMZFFKV-UONOGXRCSA-N -1 3 383.514 3.357 20 0 GGADHM COc1ccc(CCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(OC)c1 ZINC000269893665 1434684722 /nfs/dbraw/zinc/68/47/22/1434684722.db2.gz DRYGDIXDZXBTRI-UHFFFAOYSA-N -1 3 392.477 3.037 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000269928819 1434687783 /nfs/dbraw/zinc/68/77/83/1434687783.db2.gz KSGHESJYJQSBNT-QGZVFWFLSA-N -1 3 377.824 3.277 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1[O-] ZINC000269940296 1434688421 /nfs/dbraw/zinc/68/84/21/1434688421.db2.gz NGAKJAKUDOSCJW-QGZVFWFLSA-N -1 3 377.824 3.277 20 0 GGADHM COc1cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc(OC)c1[O-] ZINC000269938689 1434688457 /nfs/dbraw/zinc/68/84/57/1434688457.db2.gz MYGKUEJQUAQBAM-UHFFFAOYSA-N -1 3 398.459 3.468 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc(OC)c1[O-] ZINC000269943167 1434688815 /nfs/dbraw/zinc/68/88/15/1434688815.db2.gz NYLBGXIUJFSGFJ-OAHLLOKOSA-N -1 3 385.416 3.158 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)s1 ZINC000269962481 1434690596 /nfs/dbraw/zinc/69/05/96/1434690596.db2.gz JFQYQQDAOQGPFL-SCLBCKFNSA-N -1 3 396.534 3.055 20 0 GGADHM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000269985227 1434691892 /nfs/dbraw/zinc/69/18/92/1434691892.db2.gz ZTNXIRBSIMDYBF-ZDUSSCGKSA-N -1 3 386.448 3.324 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000270016551 1434693623 /nfs/dbraw/zinc/69/36/23/1434693623.db2.gz CIQIOWYXVIOENJ-QGZVFWFLSA-N -1 3 382.416 3.099 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000270036473 1434695353 /nfs/dbraw/zinc/69/53/53/1434695353.db2.gz JBOWREAQEYAJKV-GOSISDBHSA-N -1 3 378.432 3.215 20 0 GGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270077316 1434699853 /nfs/dbraw/zinc/69/98/53/1434699853.db2.gz VVBJZWITUKDBDB-UHFFFAOYSA-N -1 3 383.448 3.068 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC=C(C(F)(F)F)CC3)nc(=O)c2c1C ZINC000270204950 1434712718 /nfs/dbraw/zinc/71/27/18/1434712718.db2.gz CSUFJNNXRBDDLW-UHFFFAOYSA-N -1 3 387.383 3.186 20 0 GGADHM COc1ccc(COCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000270470440 1434736445 /nfs/dbraw/zinc/73/64/45/1434736445.db2.gz HEIPLVNXROEJDV-UHFFFAOYSA-N -1 3 392.477 3.002 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c([O-])c1 ZINC000270495144 1434738764 /nfs/dbraw/zinc/73/87/64/1434738764.db2.gz HAQBWLLSCGUSKW-KRWDZBQOSA-N -1 3 379.359 3.216 20 0 GGADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270619229 1434751549 /nfs/dbraw/zinc/75/15/49/1434751549.db2.gz JPLFSTQWAWGCJI-UHFFFAOYSA-N -1 3 375.421 3.089 20 0 GGADHM COc1cc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc(OC)c1[O-] ZINC000270675654 1434760496 /nfs/dbraw/zinc/76/04/96/1434760496.db2.gz DBJNGELEYKBUOP-UHFFFAOYSA-N -1 3 393.443 3.014 20 0 GGADHM CCOc1cc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)ccc1OC(F)F ZINC000270703564 1434763942 /nfs/dbraw/zinc/76/39/42/1434763942.db2.gz JVAMGHVVERZGFA-UHFFFAOYSA-N -1 3 397.374 3.340 20 0 GGADHM CCOc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C ZINC000270744642 1434769087 /nfs/dbraw/zinc/76/90/87/1434769087.db2.gz SMLCJMMOHZSDHD-UHFFFAOYSA-N -1 3 383.448 3.089 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)c(C)o1 ZINC000270783746 1434774466 /nfs/dbraw/zinc/77/44/66/1434774466.db2.gz ASXYYUXOKHKCQX-UHFFFAOYSA-N -1 3 384.429 3.065 20 0 GGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000270818310 1434778340 /nfs/dbraw/zinc/77/83/40/1434778340.db2.gz RDPLRGAYMXZRGM-UHFFFAOYSA-N -1 3 393.440 3.403 20 0 GGADHM COc1ccc(CN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC(F)F ZINC000270943218 1434789792 /nfs/dbraw/zinc/78/97/92/1434789792.db2.gz FVJRFXWGVICTQC-UHFFFAOYSA-N -1 3 397.374 3.292 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000270963988 1434791488 /nfs/dbraw/zinc/79/14/88/1434791488.db2.gz HCZWFAYHZOANQR-IRXDYDNUSA-N -1 3 389.423 3.277 20 0 GGADHM CCc1ncnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1F ZINC000271149445 1434805021 /nfs/dbraw/zinc/80/50/21/1434805021.db2.gz GUZWQODXWVXISZ-UHFFFAOYSA-N -1 3 378.835 3.392 20 0 GGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3c([O-])cccc3O)C2)cc1 ZINC000271232942 1434809958 /nfs/dbraw/zinc/80/99/58/1434809958.db2.gz AAFROFCBEHCLDP-OAHLLOKOSA-N -1 3 383.448 3.080 20 0 GGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(O)cc3[O-])C2)cc1 ZINC000271246246 1434810745 /nfs/dbraw/zinc/81/07/45/1434810745.db2.gz GDBPAOYALPEKEC-HNNXBMFYSA-N -1 3 383.448 3.080 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@H](C(C)C)C2)c1 ZINC000271251579 1434810926 /nfs/dbraw/zinc/81/09/26/1434810926.db2.gz HKPUFMBCHGHZAC-KRWDZBQOSA-N -1 3 389.477 3.155 20 0 GGADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(O)cc3[O-])CC2)cc1Cl ZINC000271256787 1434811301 /nfs/dbraw/zinc/81/13/01/1434811301.db2.gz ISKVUEZDWFENRL-UHFFFAOYSA-N -1 3 389.839 3.050 20 0 GGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271298834 1434814161 /nfs/dbraw/zinc/81/41/61/1434814161.db2.gz RVXSGSRIBNXHQP-RDJZCZTQSA-N -1 3 389.477 3.345 20 0 GGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271298832 1434814246 /nfs/dbraw/zinc/81/42/46/1434814246.db2.gz RVXSGSRIBNXHQP-NVXWUHKLSA-N -1 3 389.477 3.345 20 0 GGADHM CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000271401723 1434822070 /nfs/dbraw/zinc/82/20/70/1434822070.db2.gz VTSAGDWOBLXVQN-UHFFFAOYSA-N -1 3 390.480 3.350 20 0 GGADHM CC[C@@H]1CC[C@H](C)N1Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000271567231 1434835594 /nfs/dbraw/zinc/83/55/94/1434835594.db2.gz QLVSMKQNWZUSET-WCQYABFASA-N -1 3 393.509 3.271 20 0 GGADHM CC[C@H]1CC[C@H](C)N1Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000271567227 1434835650 /nfs/dbraw/zinc/83/56/50/1434835650.db2.gz QLVSMKQNWZUSET-AAEUAGOBSA-N -1 3 393.509 3.271 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc(OC)c1[O-] ZINC000271637584 1434840981 /nfs/dbraw/zinc/84/09/81/1434840981.db2.gz DKRMLKRIIUIWAN-KDOFPFPSSA-N -1 3 395.814 3.462 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc(OC)c1[O-] ZINC000271637579 1434840991 /nfs/dbraw/zinc/84/09/91/1434840991.db2.gz DKRMLKRIIUIWAN-KBXCAEBGSA-N -1 3 395.814 3.462 20 0 GGADHM COc1cc(-c2noc(CCC(=O)[N-]OC3CCCC3)n2)cc(Cl)c1OC ZINC000271658625 1434842481 /nfs/dbraw/zinc/84/24/81/1434842481.db2.gz GJTWXHFGBPCIGM-UHFFFAOYSA-N -1 3 395.843 3.330 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NOC2CCCC2)CC1 ZINC000271784979 1434850480 /nfs/dbraw/zinc/85/04/80/1434850480.db2.gz ZYEAXKCLBHEATM-UHFFFAOYSA-N -1 3 381.860 3.280 20 0 GGADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000271990445 1434864173 /nfs/dbraw/zinc/86/41/73/1434864173.db2.gz GFBGWSJYHVZQDJ-MLGOLLRUSA-N -1 3 375.444 3.433 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000271993268 1434864248 /nfs/dbraw/zinc/86/42/48/1434864248.db2.gz RSMXNMYQYJHZJJ-MSOLQXFVSA-N -1 3 398.507 3.195 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000271994780 1434864471 /nfs/dbraw/zinc/86/44/71/1434864471.db2.gz MATHHAMMPUQFGT-OCCSQVGLSA-N -1 3 380.872 3.038 20 0 GGADHM C[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000271994771 1434864528 /nfs/dbraw/zinc/86/45/28/1434864528.db2.gz MATHHAMMPUQFGT-GXTWGEPZSA-N -1 3 380.872 3.038 20 0 GGADHM COCCOc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000272104262 1434872354 /nfs/dbraw/zinc/87/23/54/1434872354.db2.gz PIILMOVAPOFEFO-CQSZACIVSA-N -1 3 394.493 3.265 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)OCc2ccccc2)cc1OC ZINC000272369871 1434890990 /nfs/dbraw/zinc/89/09/90/1434890990.db2.gz PHSLHPWZNMSOLW-UHFFFAOYSA-N -1 3 393.465 3.052 20 0 GGADHM CCC1(O)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000272474077 1434898846 /nfs/dbraw/zinc/89/88/46/1434898846.db2.gz FCVIPOWYKVLUKU-HXUWFJFHSA-N -1 3 396.487 3.017 20 0 GGADHM COCCCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272479595 1434899223 /nfs/dbraw/zinc/89/92/23/1434899223.db2.gz FVLDOQXKTKGYMG-HXUWFJFHSA-N -1 3 384.476 3.186 20 0 GGADHM CC(C)(CCCO)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272543581 1434906095 /nfs/dbraw/zinc/90/60/95/1434906095.db2.gz KYQMLISSYGACIK-FQEVSTJZSA-N -1 3 398.503 3.168 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)cc(C)nc2Cl)cc1OC ZINC000272697422 1434923755 /nfs/dbraw/zinc/92/37/55/1434923755.db2.gz IGYURYCDTCPHFV-UHFFFAOYSA-N -1 3 397.884 3.374 20 0 GGADHM CCCN(C(=O)c1ccc(O)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000272704782 1434924470 /nfs/dbraw/zinc/92/44/70/1434924470.db2.gz BZOCQOBPPWDRTH-UHFFFAOYSA-N -1 3 378.469 3.350 20 0 GGADHM Cc1c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cnn1C1CCCCC1 ZINC000272958035 1434944111 /nfs/dbraw/zinc/94/41/11/1434944111.db2.gz WHDVIMDWZDUXMD-UHFFFAOYSA-N -1 3 396.491 3.001 20 0 GGADHM CCc1cc2c(CN[C@H](CO)c3c(F)cccc3F)cc(=O)oc2cc1[O-] ZINC000272971892 1434945213 /nfs/dbraw/zinc/94/52/13/1434945213.db2.gz CHYZSZHEDGGANI-MRXNPFEDSA-N -1 3 375.371 3.162 20 0 GGADHM Cc1nc(CSc2ccc(C(=O)N3CCc4c(=O)[n-]cnc4C3)cc2)cs1 ZINC000273079695 1434958269 /nfs/dbraw/zinc/95/82/69/1434958269.db2.gz AFAOOKSUIDJLQD-UHFFFAOYSA-N -1 3 398.513 3.438 20 0 GGADHM Cc1ccc(OCc2ccc(C(=O)N3CCc4c(=O)[n-]cnc4C3)o2)c(C)c1 ZINC000273079666 1434958388 /nfs/dbraw/zinc/95/83/88/1434958388.db2.gz ADYLKVCLTXMGLL-UHFFFAOYSA-N -1 3 379.416 3.170 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000273250437 1434975740 /nfs/dbraw/zinc/97/57/40/1434975740.db2.gz DDCFPUIIIDMCQF-PKOBYXMFSA-N -1 3 387.455 3.249 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)C[C@H](C)c1nccs1 ZINC000273338427 1434981872 /nfs/dbraw/zinc/98/18/72/1434981872.db2.gz ABUNGBHRTZUHAF-ZDUSSCGKSA-N -1 3 397.504 3.204 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCSCC(C)C)c1 ZINC000273375504 1434984371 /nfs/dbraw/zinc/98/43/71/1434984371.db2.gz YTHVJXQLBLWTOO-UHFFFAOYSA-N -1 3 377.466 3.060 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000273496257 1434992320 /nfs/dbraw/zinc/99/23/20/1434992320.db2.gz PKNVEPGRPVKBPT-INIZCTEOSA-N -1 3 387.436 3.017 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000273532369 1434994907 /nfs/dbraw/zinc/99/49/07/1434994907.db2.gz QXVRZMBRRYUXBE-WBMJQRKESA-N -1 3 389.370 3.442 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273623264 1435000350 /nfs/dbraw/zinc/00/03/50/1435000350.db2.gz ZUJANCOLFOOKKF-PXNSSMCTSA-N -1 3 386.423 3.482 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc(OC)c1[O-] ZINC000273863937 1435023061 /nfs/dbraw/zinc/02/30/61/1435023061.db2.gz OODFENHVCHCNTG-ZIAGYGMSSA-N -1 3 377.462 3.199 20 0 GGADHM CSc1nc(C)c(CCc2nc(Cc3nc4cccc(C)c4[nH]3)no2)c(=O)[n-]1 ZINC000273867985 1435023404 /nfs/dbraw/zinc/02/34/04/1435023404.db2.gz LSTSQVSYGCCKMK-UHFFFAOYSA-N -1 3 396.476 3.156 20 0 GGADHM COc1cc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc(OC)c1[O-] ZINC000273879702 1435024528 /nfs/dbraw/zinc/02/45/28/1435024528.db2.gz SBOGHXSGQQGKPN-QGZVFWFLSA-N -1 3 387.432 3.222 20 0 GGADHM COCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(SC(C)(C)C)cc2)no1 ZINC000274121626 1435045445 /nfs/dbraw/zinc/04/54/45/1435045445.db2.gz WMANWIJBFUJYLW-UHFFFAOYSA-N -1 3 399.538 3.083 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274179481 1435049032 /nfs/dbraw/zinc/04/90/32/1435049032.db2.gz KCMWCCDTWLRIPX-SFHVURJKSA-N -1 3 375.469 3.447 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274179481 1435049034 /nfs/dbraw/zinc/04/90/34/1435049034.db2.gz KCMWCCDTWLRIPX-SFHVURJKSA-N -1 3 375.469 3.447 20 0 GGADHM CC(C)c1ccc(-c2nc(CCN3C(=O)NC4(CCCCC4)C3=O)no2)c([O-])c1 ZINC000274250762 1435054835 /nfs/dbraw/zinc/05/48/35/1435054835.db2.gz WHBTUMCMSLACPO-UHFFFAOYSA-N -1 3 398.463 3.363 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c(C)c1 ZINC000274322395 1435061471 /nfs/dbraw/zinc/06/14/71/1435061471.db2.gz IXORTQRFOAVFQC-AWEZNQCLSA-N -1 3 395.452 3.359 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274325474 1435062083 /nfs/dbraw/zinc/06/20/83/1435062083.db2.gz JPEJXBSJBGQZMJ-NSHDSACASA-N -1 3 387.379 3.320 20 0 GGADHM CCCCn1cc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c(C)n1 ZINC000274525242 1435076538 /nfs/dbraw/zinc/07/65/38/1435076538.db2.gz XLFGUKQYCFZOBQ-UHFFFAOYSA-N -1 3 394.497 3.014 20 0 GGADHM Cc1cc(C(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2F)c(C(F)(F)F)o1 ZINC000274595602 1435079945 /nfs/dbraw/zinc/07/99/45/1435079945.db2.gz OIHVFQZCTARUDY-UHFFFAOYSA-N -1 3 394.346 3.249 20 0 GGADHM O=C(NCc1ccc(F)cc1)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274753502 1435089799 /nfs/dbraw/zinc/08/97/99/1435089799.db2.gz IEABHBGQOSNOHB-SFHVURJKSA-N -1 3 387.411 3.335 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000274753502 1435089801 /nfs/dbraw/zinc/08/98/01/1435089801.db2.gz IEABHBGQOSNOHB-SFHVURJKSA-N -1 3 387.411 3.335 20 0 GGADHM O=S(=O)(c1ccc(F)cc1)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274766352 1435091049 /nfs/dbraw/zinc/09/10/49/1435091049.db2.gz LIAXIMLFFXNQAB-QGZVFWFLSA-N -1 3 394.424 3.238 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000274766352 1435091050 /nfs/dbraw/zinc/09/10/50/1435091050.db2.gz LIAXIMLFFXNQAB-QGZVFWFLSA-N -1 3 394.424 3.238 20 0 GGADHM COc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc(OC)c1[O-] ZINC000274777474 1435091648 /nfs/dbraw/zinc/09/16/48/1435091648.db2.gz XYQVJZXKUPWMMJ-KRWDZBQOSA-N -1 3 395.814 3.416 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc(OC)c1[O-] ZINC000274777477 1435091687 /nfs/dbraw/zinc/09/16/87/1435091687.db2.gz XYQVJZXKUPWMMJ-QGZVFWFLSA-N -1 3 395.814 3.416 20 0 GGADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000274822019 1435095510 /nfs/dbraw/zinc/09/55/10/1435095510.db2.gz KCBIPEGDUCCFQA-GOSISDBHSA-N -1 3 391.468 3.291 20 0 GGADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274822019 1435095511 /nfs/dbraw/zinc/09/55/11/1435095511.db2.gz KCBIPEGDUCCFQA-GOSISDBHSA-N -1 3 391.468 3.291 20 0 GGADHM O=C(NCc1ccccc1F)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274953157 1435105761 /nfs/dbraw/zinc/10/57/61/1435105761.db2.gz VKNUABSQVAFSBS-GOSISDBHSA-N -1 3 387.411 3.335 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000274953157 1435105763 /nfs/dbraw/zinc/10/57/63/1435105763.db2.gz VKNUABSQVAFSBS-GOSISDBHSA-N -1 3 387.411 3.335 20 0 GGADHM COc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc(OC)c1[O-] ZINC000274956896 1435105974 /nfs/dbraw/zinc/10/59/74/1435105974.db2.gz BAASGXYCYCATOE-UHFFFAOYSA-N -1 3 388.376 3.152 20 0 GGADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000274960391 1435106181 /nfs/dbraw/zinc/10/61/81/1435106181.db2.gz APKZLAJPOONHNY-UHFFFAOYSA-N -1 3 393.440 3.405 20 0 GGADHM COC(=O)c1cnc(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[n-]1 ZINC000274992803 1435108250 /nfs/dbraw/zinc/10/82/50/1435108250.db2.gz ZKXMNQJWDMIBEV-UHFFFAOYSA-N -1 3 375.450 3.156 20 0 GGADHM COc1cc(OC)c(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1OC ZINC000274999090 1435108740 /nfs/dbraw/zinc/10/87/40/1435108740.db2.gz NGVIHEKKBWCWHI-UHFFFAOYSA-N -1 3 388.376 3.152 20 0 GGADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1 ZINC000275058557 1435113502 /nfs/dbraw/zinc/11/35/02/1435113502.db2.gz YHIFBOFHSKZJQC-UHFFFAOYSA-N -1 3 393.440 3.405 20 0 GGADHM CC(=O)OC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000275297461 1435129485 /nfs/dbraw/zinc/12/94/85/1435129485.db2.gz MKNBGWNOJNEDOJ-UHFFFAOYSA-N -1 3 390.461 3.076 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)cc1OC ZINC000275605412 1435152225 /nfs/dbraw/zinc/15/22/25/1435152225.db2.gz FKIBIQWYEXHPLO-GXTWGEPZSA-N -1 3 396.509 3.037 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000276336591 1435205540 /nfs/dbraw/zinc/20/55/40/1435205540.db2.gz LQFRYSOATFKRKL-CQSZACIVSA-N -1 3 394.397 3.285 20 0 GGADHM Cc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cnn1C1CCOCC1 ZINC000276717975 1435227573 /nfs/dbraw/zinc/22/75/73/1435227573.db2.gz FPOAAQUUGQBIKG-UHFFFAOYSA-N -1 3 392.419 3.327 20 0 GGADHM Cc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cnn1C1CCOCC1 ZINC000276717975 1435227574 /nfs/dbraw/zinc/22/75/74/1435227574.db2.gz FPOAAQUUGQBIKG-UHFFFAOYSA-N -1 3 392.419 3.327 20 0 GGADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000276909872 1435242029 /nfs/dbraw/zinc/24/20/29/1435242029.db2.gz OVFHPEKOWQUSIS-CQSZACIVSA-N -1 3 393.440 3.211 20 0 GGADHM COc1cccc(CN[C@H](CSCc2cccc3cccnc32)C(=O)[O-])n1 ZINC000277169294 1435272385 /nfs/dbraw/zinc/27/23/85/1435272385.db2.gz DPWUOVFKMWTVFG-QGZVFWFLSA-N -1 3 383.473 3.115 20 0 GGADHM CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000277179716 1435274293 /nfs/dbraw/zinc/27/42/93/1435274293.db2.gz UNNWVPUNXKDIKJ-YJBOKZPZSA-N -1 3 394.899 3.428 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c([O-])c1 ZINC000277290126 1435289857 /nfs/dbraw/zinc/28/98/57/1435289857.db2.gz SWYAHOOSMGMRJE-KSSFIOAISA-N -1 3 387.436 3.063 20 0 GGADHM CCc1cc(O)ccc1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000277289614 1435289869 /nfs/dbraw/zinc/28/98/69/1435289869.db2.gz QSKJNTQLAPBHBJ-UHFFFAOYSA-N -1 3 393.465 3.369 20 0 GGADHM COc1cccc(CSC[C@@H](NCc2cc(OC)ccc2OC)C(=O)[O-])c1 ZINC000277319477 1435293881 /nfs/dbraw/zinc/29/38/81/1435293881.db2.gz NVTDKBAIEYYKTD-GOSISDBHSA-N -1 3 391.489 3.189 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3oc4ccccc4c3C)CC2)[n-]1 ZINC000277562655 1435312918 /nfs/dbraw/zinc/31/29/18/1435312918.db2.gz AKXMFTPQFLIUJL-UHFFFAOYSA-N -1 3 382.420 3.056 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3oc4ccccc4c3C)CC2)n[n-]1 ZINC000277562655 1435312921 /nfs/dbraw/zinc/31/29/21/1435312921.db2.gz AKXMFTPQFLIUJL-UHFFFAOYSA-N -1 3 382.420 3.056 20 0 GGADHM CCCc1cc(C(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)sc1C ZINC000277564552 1435313185 /nfs/dbraw/zinc/31/31/85/1435313185.db2.gz ASFWXEOLEICQBD-UHFFFAOYSA-N -1 3 390.509 3.324 20 0 GGADHM CCCc1cc(C(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)sc1C ZINC000277564552 1435313187 /nfs/dbraw/zinc/31/31/87/1435313187.db2.gz ASFWXEOLEICQBD-UHFFFAOYSA-N -1 3 390.509 3.324 20 0 GGADHM CCCc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000277708011 1435323496 /nfs/dbraw/zinc/32/34/96/1435323496.db2.gz DXDWJYDIIHQHCY-UHFFFAOYSA-N -1 3 385.468 3.345 20 0 GGADHM CCCc1ccccc1NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000277708011 1435323498 /nfs/dbraw/zinc/32/34/98/1435323498.db2.gz DXDWJYDIIHQHCY-UHFFFAOYSA-N -1 3 385.468 3.345 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(SC)ccc3C)CC2)[n-]1 ZINC000277763414 1435328091 /nfs/dbraw/zinc/32/80/91/1435328091.db2.gz QKTDXNKHSMQPTF-UHFFFAOYSA-N -1 3 388.493 3.032 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(SC)ccc3C)CC2)n[n-]1 ZINC000277763414 1435328093 /nfs/dbraw/zinc/32/80/93/1435328093.db2.gz QKTDXNKHSMQPTF-UHFFFAOYSA-N -1 3 388.493 3.032 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC[C@@H](C)c3ccccc3)CC2)[n-]1 ZINC000277772154 1435328924 /nfs/dbraw/zinc/32/89/24/1435328924.db2.gz SLXWANTWFGJEFW-OAHLLOKOSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)NCC[C@@H](C)c3ccccc3)CC2)n[n-]1 ZINC000277772154 1435328927 /nfs/dbraw/zinc/32/89/27/1435328927.db2.gz SLXWANTWFGJEFW-OAHLLOKOSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC[C@H](C)c3ccccc3)CC2)[n-]1 ZINC000277772152 1435328963 /nfs/dbraw/zinc/32/89/63/1435328963.db2.gz SLXWANTWFGJEFW-HNNXBMFYSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)NCC[C@H](C)c3ccccc3)CC2)n[n-]1 ZINC000277772152 1435328964 /nfs/dbraw/zinc/32/89/64/1435328964.db2.gz SLXWANTWFGJEFW-HNNXBMFYSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[n-]1 ZINC000277778419 1435329560 /nfs/dbraw/zinc/32/95/60/1435329560.db2.gz RREYSZBBIKAWLB-UHFFFAOYSA-N -1 3 396.369 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n[n-]1 ZINC000277778419 1435329561 /nfs/dbraw/zinc/32/95/61/1435329561.db2.gz RREYSZBBIKAWLB-UHFFFAOYSA-N -1 3 396.369 3.020 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc4c3CCCC4)CC2)[n-]1 ZINC000277923180 1435342701 /nfs/dbraw/zinc/34/27/01/1435342701.db2.gz ZTNSSWYOMRBEGY-UHFFFAOYSA-N -1 3 397.479 3.272 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc4c3CCCC4)CC2)n[n-]1 ZINC000277923180 1435342704 /nfs/dbraw/zinc/34/27/04/1435342704.db2.gz ZTNSSWYOMRBEGY-UHFFFAOYSA-N -1 3 397.479 3.272 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](C)c3cccc(C)c3C)CC2)[n-]1 ZINC000277988773 1435348212 /nfs/dbraw/zinc/34/82/12/1435348212.db2.gz GQVWBLPFFDJCJO-OAHLLOKOSA-N -1 3 399.495 3.248 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](C)c3cccc(C)c3C)CC2)n[n-]1 ZINC000277988773 1435348215 /nfs/dbraw/zinc/34/82/15/1435348215.db2.gz GQVWBLPFFDJCJO-OAHLLOKOSA-N -1 3 399.495 3.248 20 0 GGADHM CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000278112867 1435360616 /nfs/dbraw/zinc/36/06/16/1435360616.db2.gz REHVMNISFWGJEJ-RISCZKNCSA-N -1 3 394.415 3.077 20 0 GGADHM CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000278112862 1435360740 /nfs/dbraw/zinc/36/07/40/1435360740.db2.gz REHVMNISFWGJEJ-BXUZGUMPSA-N -1 3 394.415 3.077 20 0 GGADHM CCCCOCCOCc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278121390 1435361762 /nfs/dbraw/zinc/36/17/62/1435361762.db2.gz MDKBCUDCGPXJFL-HNNXBMFYSA-N -1 3 388.386 3.397 20 0 GGADHM CC[C@H](NC(=O)Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1)c1ccccc1 ZINC000278145382 1435364138 /nfs/dbraw/zinc/36/41/38/1435364138.db2.gz INUGFFRGVDCXAN-HNNXBMFYSA-N -1 3 397.431 3.269 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)CC2)[n-]1 ZINC000278174243 1435366304 /nfs/dbraw/zinc/36/63/04/1435366304.db2.gz ZDOJKGRANJAHKJ-CABCVRRESA-N -1 3 399.495 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)CC2)n[n-]1 ZINC000278174243 1435366307 /nfs/dbraw/zinc/36/63/07/1435366307.db2.gz ZDOJKGRANJAHKJ-CABCVRRESA-N -1 3 399.495 3.063 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)CC2)[n-]1 ZINC000278174246 1435366391 /nfs/dbraw/zinc/36/63/91/1435366391.db2.gz ZDOJKGRANJAHKJ-GJZGRUSLSA-N -1 3 399.495 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)CC2)n[n-]1 ZINC000278174246 1435366394 /nfs/dbraw/zinc/36/63/94/1435366394.db2.gz ZDOJKGRANJAHKJ-GJZGRUSLSA-N -1 3 399.495 3.063 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)[n-]1 ZINC000278202857 1435369120 /nfs/dbraw/zinc/36/91/20/1435369120.db2.gz QDHUZBONJITHDH-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)n[n-]1 ZINC000278202857 1435369122 /nfs/dbraw/zinc/36/91/22/1435369122.db2.gz QDHUZBONJITHDH-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(C)c3Cl)CC2)[n-]1 ZINC000278229965 1435371813 /nfs/dbraw/zinc/37/18/13/1435371813.db2.gz TWBBOZLLTRFODB-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(C)c3Cl)CC2)n[n-]1 ZINC000278229965 1435371817 /nfs/dbraw/zinc/37/18/17/1435371817.db2.gz TWBBOZLLTRFODB-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CC(C)c1nccn1Cc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278310686 1435378590 /nfs/dbraw/zinc/37/85/90/1435378590.db2.gz XBDFDUPMTPLAEA-CQSZACIVSA-N -1 3 380.370 3.432 20 0 GGADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000278471266 1435393456 /nfs/dbraw/zinc/39/34/56/1435393456.db2.gz WUEOYNOTXPTBFV-GFCCVEGCSA-N -1 3 398.442 3.462 20 0 GGADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000278541529 1435398650 /nfs/dbraw/zinc/39/86/50/1435398650.db2.gz NADCHOSSHZINHO-ZDUSSCGKSA-N -1 3 389.477 3.261 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](C)c3ccc(CC)cc3)CC2)[n-]1 ZINC000278595919 1435403644 /nfs/dbraw/zinc/40/36/44/1435403644.db2.gz DQIZEVJREKSYRY-OAHLLOKOSA-N -1 3 398.507 3.444 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](C)c3ccc(CC)cc3)CC2)n[n-]1 ZINC000278595919 1435403645 /nfs/dbraw/zinc/40/36/45/1435403645.db2.gz DQIZEVJREKSYRY-OAHLLOKOSA-N -1 3 398.507 3.444 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)[n-]1 ZINC000278616731 1435406050 /nfs/dbraw/zinc/40/60/50/1435406050.db2.gz FSVZRDFHJQMYJJ-KRWDZBQOSA-N -1 3 384.480 3.127 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)n[n-]1 ZINC000278616731 1435406052 /nfs/dbraw/zinc/40/60/52/1435406052.db2.gz FSVZRDFHJQMYJJ-KRWDZBQOSA-N -1 3 384.480 3.127 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000278636500 1435408254 /nfs/dbraw/zinc/40/82/54/1435408254.db2.gz MPZZUENEPQQDFV-JSGCOSHPSA-N -1 3 381.448 3.119 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc4c(ccc(C)c4C)[nH]3)CC2)[n-]1 ZINC000278642935 1435409232 /nfs/dbraw/zinc/40/92/32/1435409232.db2.gz GYOHARJMIBNFFL-UHFFFAOYSA-N -1 3 395.463 3.099 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc4c(ccc(C)c4C)[nH]3)CC2)n[n-]1 ZINC000278642935 1435409235 /nfs/dbraw/zinc/40/92/35/1435409235.db2.gz GYOHARJMIBNFFL-UHFFFAOYSA-N -1 3 395.463 3.099 20 0 GGADHM CN(Cc1ncnn1CC(F)F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000278952260 1435444556 /nfs/dbraw/zinc/44/45/56/1435444556.db2.gz NCXWZBSFBQYJRE-UHFFFAOYSA-N -1 3 386.402 3.112 20 0 GGADHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000278974527 1435447592 /nfs/dbraw/zinc/44/75/92/1435447592.db2.gz OVFWNWBGAWCQNL-KRWDZBQOSA-N -1 3 376.840 3.464 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)[n-]1 ZINC000278981893 1435448452 /nfs/dbraw/zinc/44/84/52/1435448452.db2.gz CXQGREZUDZZYLU-UHFFFAOYSA-N -1 3 397.435 3.448 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)n[n-]1 ZINC000278981893 1435448453 /nfs/dbraw/zinc/44/84/53/1435448453.db2.gz CXQGREZUDZZYLU-UHFFFAOYSA-N -1 3 397.435 3.448 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(=O)[n-]1 ZINC000279176559 1435467864 /nfs/dbraw/zinc/46/78/64/1435467864.db2.gz RXXQJSMDDGGRJM-UHFFFAOYSA-N -1 3 387.390 3.049 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000279509993 1435507769 /nfs/dbraw/zinc/50/77/69/1435507769.db2.gz KMXNTNRCWNYXPW-RBUKOAKNSA-N -1 3 392.434 3.297 20 0 GGADHM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCCN1C1CC1 ZINC000279571886 1435514695 /nfs/dbraw/zinc/51/46/95/1435514695.db2.gz SYEOTSQIVNONGR-IBGZPJMESA-N -1 3 385.489 3.053 20 0 GGADHM COc1cc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc(OC)c1[O-] ZINC000279581449 1435515642 /nfs/dbraw/zinc/51/56/42/1435515642.db2.gz SNZVRTNNGROARO-UHFFFAOYSA-N -1 3 387.407 3.284 20 0 GGADHM COC(=O)c1nc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)sc1C ZINC000279634399 1435521673 /nfs/dbraw/zinc/52/16/73/1435521673.db2.gz WAEJLMXBUVZGAK-CYBMUJFWSA-N -1 3 393.440 3.130 20 0 GGADHM COC(=O)c1nc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)sc1C ZINC000279634405 1435521693 /nfs/dbraw/zinc/52/16/93/1435521693.db2.gz WAEJLMXBUVZGAK-ZDUSSCGKSA-N -1 3 393.440 3.130 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1 ZINC000279742061 1435537100 /nfs/dbraw/zinc/53/71/00/1435537100.db2.gz AUWUSMCBJPDJDY-UHFFFAOYSA-N -1 3 392.459 3.486 20 0 GGADHM CCSCc1ccccc1C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000279765485 1435540153 /nfs/dbraw/zinc/54/01/53/1435540153.db2.gz UVWZQQHBFOGCIT-UHFFFAOYSA-N -1 3 376.434 3.093 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1 ZINC000279839659 1435549515 /nfs/dbraw/zinc/54/95/15/1435549515.db2.gz GQKSBCNAVGNFKM-UHFFFAOYSA-N -1 3 377.466 3.288 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCCc1ccccc1F ZINC000279906045 1435561075 /nfs/dbraw/zinc/56/10/75/1435561075.db2.gz FUHDCAQYMOKANW-UHFFFAOYSA-N -1 3 394.450 3.373 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1C ZINC000279921319 1435563480 /nfs/dbraw/zinc/56/34/80/1435563480.db2.gz UHPXBAWVBGYYJE-UHFFFAOYSA-N -1 3 377.466 3.206 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1NC(=O)N(C)C ZINC000279946364 1435567639 /nfs/dbraw/zinc/56/76/39/1435567639.db2.gz YDNQRJQRDCZNMP-UHFFFAOYSA-N -1 3 389.477 3.214 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1 ZINC000280000191 1435574852 /nfs/dbraw/zinc/57/48/52/1435574852.db2.gz RXWNHYBRPCUUQA-UHFFFAOYSA-N -1 3 377.466 3.288 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1c[nH]c2ccccc21 ZINC000280047274 1435583002 /nfs/dbraw/zinc/58/30/02/1435583002.db2.gz ZZLNRYAQUFMBSB-INIZCTEOSA-N -1 3 391.471 3.352 20 0 GGADHM COc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)cc1C ZINC000280450457 1435663069 /nfs/dbraw/zinc/66/30/69/1435663069.db2.gz GWCDYNSIMLEUMA-UHFFFAOYSA-N -1 3 383.448 3.008 20 0 GGADHM C[C@]1(O)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000280527023 1435673665 /nfs/dbraw/zinc/67/36/65/1435673665.db2.gz JJRHFSQSAZZPOJ-REWPJTCUSA-N -1 3 396.487 3.017 20 0 GGADHM C[C@]1(O)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000280527015 1435673689 /nfs/dbraw/zinc/67/36/89/1435673689.db2.gz JJRHFSQSAZZPOJ-OFNKIYASSA-N -1 3 396.487 3.017 20 0 GGADHM C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)c(F)c1 ZINC000280976166 1435750011 /nfs/dbraw/zinc/75/00/11/1435750011.db2.gz JRTHEPYYRPHDPQ-JTQLQIEISA-N -1 3 393.356 3.126 20 0 GGADHM COC(=O)c1sc2[n-]c(CS[C@@H](C)C(=O)OC(C)(C)C)nc(=O)c2c1C ZINC000280975863 1435750219 /nfs/dbraw/zinc/75/02/19/1435750219.db2.gz LPQVPWMLOJNDQR-VIFPVBQESA-N -1 3 398.506 3.455 20 0 GGADHM COCCOC1CCC(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000281034385 1435760545 /nfs/dbraw/zinc/76/05/45/1435760545.db2.gz QSNBYFDCNVRHMF-UHFFFAOYSA-N -1 3 384.436 3.378 20 0 GGADHM Cn1c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc2ccc(Cl)cc21 ZINC000281218754 1435798477 /nfs/dbraw/zinc/79/84/77/1435798477.db2.gz KFSHSGXCFNKTDG-UHFFFAOYSA-N -1 3 388.821 3.117 20 0 GGADHM CC(C)n1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000281221111 1435798573 /nfs/dbraw/zinc/79/85/73/1435798573.db2.gz KKHBHTIEYYMCNG-UHFFFAOYSA-N -1 3 390.387 3.107 20 0 GGADHM Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281321550 1435803806 /nfs/dbraw/zinc/80/38/06/1435803806.db2.gz LGGRVHJREWOPKV-CQSZACIVSA-N -1 3 385.430 3.021 20 0 GGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281329238 1435804090 /nfs/dbraw/zinc/80/40/90/1435804090.db2.gz VSEKZDRAFOUOHE-MRXNPFEDSA-N -1 3 383.414 3.082 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1Cl)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281343374 1435804748 /nfs/dbraw/zinc/80/47/48/1435804748.db2.gz MPTLGJJGAVNOLQ-LLVKDONJSA-N -1 3 391.821 3.058 20 0 GGADHM C[C@@H](CCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281387057 1435806757 /nfs/dbraw/zinc/80/67/57/1435806757.db2.gz ZHRUZFTZZVZVFY-AWEZNQCLSA-N -1 3 385.430 3.280 20 0 GGADHM Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281435044 1435808826 /nfs/dbraw/zinc/80/88/26/1435808826.db2.gz SVASAHMHOVIETF-AWEZNQCLSA-N -1 3 385.430 3.021 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC(F)(F)C2)c1 ZINC000281476497 1435810446 /nfs/dbraw/zinc/81/04/46/1435810446.db2.gz CVHFFKCECDGDSN-LLVKDONJSA-N -1 3 379.363 3.106 20 0 GGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000281576623 1435814211 /nfs/dbraw/zinc/81/42/11/1435814211.db2.gz MFARAMRGQUVLFU-UHFFFAOYSA-N -1 3 384.436 3.036 20 0 GGADHM CC[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(OC)cc1 ZINC000281608104 1435815406 /nfs/dbraw/zinc/81/54/06/1435815406.db2.gz DWRCCGRXTVULMQ-INIZCTEOSA-N -1 3 386.414 3.106 20 0 GGADHM COc1ccccc1[C@H](C)CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281610356 1435815593 /nfs/dbraw/zinc/81/55/93/1435815593.db2.gz FAYQVEQWVVOYHZ-CYBMUJFWSA-N -1 3 386.414 3.106 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000281627658 1435816264 /nfs/dbraw/zinc/81/62/64/1435816264.db2.gz CUQKQCLIZSRSSU-UHFFFAOYSA-N -1 3 389.839 3.402 20 0 GGADHM C[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)Cc1cccc(F)c1 ZINC000281672801 1435818021 /nfs/dbraw/zinc/81/80/21/1435818021.db2.gz JXDNWOKOXQBIEW-CYBMUJFWSA-N -1 3 388.405 3.312 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281697921 1435818704 /nfs/dbraw/zinc/81/87/04/1435818704.db2.gz LVZBMFMEVSPFRJ-ZDUSSCGKSA-N -1 3 388.405 3.312 20 0 GGADHM O=C([N-]CC1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1)C(F)(F)F ZINC000281700026 1435818733 /nfs/dbraw/zinc/81/87/33/1435818733.db2.gz LWORXWZSHHRGNU-UHFFFAOYSA-N -1 3 382.426 3.317 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281697920 1435818771 /nfs/dbraw/zinc/81/87/71/1435818771.db2.gz LVZBMFMEVSPFRJ-CYBMUJFWSA-N -1 3 388.405 3.312 20 0 GGADHM Cc1cccc([C@@H](C)NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000281705590 1435818951 /nfs/dbraw/zinc/81/89/51/1435818951.db2.gz BGTPDYORJIRLDK-CQSZACIVSA-N -1 3 385.430 3.465 20 0 GGADHM Cc1cccc([C@H](C)NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000281705583 1435818959 /nfs/dbraw/zinc/81/89/59/1435818959.db2.gz BGTPDYORJIRLDK-AWEZNQCLSA-N -1 3 385.430 3.465 20 0 GGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281710375 1435819125 /nfs/dbraw/zinc/81/91/25/1435819125.db2.gz MSPRZOHYULTMBZ-KRWDZBQOSA-N -1 3 384.442 3.418 20 0 GGADHM C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@@H](C)c1ccccc1 ZINC000281726984 1435819771 /nfs/dbraw/zinc/81/97/71/1435819771.db2.gz CMZJPEUMDIRVOV-KGLIPLIRSA-N -1 3 385.430 3.279 20 0 GGADHM CCSc1ccc(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281747393 1435820491 /nfs/dbraw/zinc/82/04/91/1435820491.db2.gz PEVISISBAMQDCH-UHFFFAOYSA-N -1 3 388.455 3.258 20 0 GGADHM COc1ccccc1/C(C)=C/C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281747300 1435820497 /nfs/dbraw/zinc/82/04/97/1435820497.db2.gz PEBHNDFVXYKKQN-ACCUITESSA-N -1 3 384.398 3.016 20 0 GGADHM C[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cn(C)c2ccccc12 ZINC000281758548 1435821026 /nfs/dbraw/zinc/82/10/26/1435821026.db2.gz PWIAQNVKDODMMA-ZDUSSCGKSA-N -1 3 395.425 3.199 20 0 GGADHM CCN(CC)c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281763793 1435821130 /nfs/dbraw/zinc/82/11/30/1435821130.db2.gz QIKDRDVFUSEXBT-UHFFFAOYSA-N -1 3 385.430 3.064 20 0 GGADHM COc1ccc([C@@H](C)CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281782012 1435821938 /nfs/dbraw/zinc/82/19/38/1435821938.db2.gz RSNCCCYEEKOLDT-ZDUSSCGKSA-N -1 3 386.414 3.106 20 0 GGADHM O=C([N-]CC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1)C(F)(F)F ZINC000281825683 1435823354 /nfs/dbraw/zinc/82/33/54/1435823354.db2.gz WBYJZPFCXOHSJQ-UHFFFAOYSA-N -1 3 388.817 3.289 20 0 GGADHM COc1cccc([C@H](C)CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281863719 1435824649 /nfs/dbraw/zinc/82/46/49/1435824649.db2.gz YXDBEBSYTMAIPU-CYBMUJFWSA-N -1 3 386.414 3.106 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCN(C)C3=O)cc2C)cc1C ZINC000281873340 1435825012 /nfs/dbraw/zinc/82/50/12/1435825012.db2.gz CJTUIVPEZNJARX-LJQANCHMSA-N -1 3 388.489 3.022 20 0 GGADHM C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(C)c1ccccc1 ZINC000281903109 1435826053 /nfs/dbraw/zinc/82/60/53/1435826053.db2.gz PIYYQEGPCINYFM-AWEZNQCLSA-N -1 3 399.457 3.453 20 0 GGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C(N)=O)CCC2 ZINC000281970222 1435829101 /nfs/dbraw/zinc/82/91/01/1435829101.db2.gz LRVPNBGDOUOWNT-UHFFFAOYSA-N -1 3 377.441 3.075 20 0 GGADHM Cc1nc(-c2ccncc2)nc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000282000732 1435830395 /nfs/dbraw/zinc/83/03/95/1435830395.db2.gz WJGUIMXDVPQUCF-UHFFFAOYSA-N -1 3 393.413 3.050 20 0 GGADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000282108745 1435834930 /nfs/dbraw/zinc/83/49/30/1435834930.db2.gz WTBZBEUEAUNBED-KRWDZBQOSA-N -1 3 394.880 3.059 20 0 GGADHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000282108746 1435834951 /nfs/dbraw/zinc/83/49/51/1435834951.db2.gz WTBZBEUEAUNBED-QGZVFWFLSA-N -1 3 394.880 3.059 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c(C)c1 ZINC000282129130 1435835729 /nfs/dbraw/zinc/83/57/29/1435835729.db2.gz YNUVLOYGOPLANB-GOSISDBHSA-N -1 3 388.489 3.022 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)[n-]1 ZINC000282204143 1435838305 /nfs/dbraw/zinc/83/83/05/1435838305.db2.gz FRTRQHBELLITIL-UHFFFAOYSA-N -1 3 382.464 3.269 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)n[n-]1 ZINC000282204143 1435838306 /nfs/dbraw/zinc/83/83/06/1435838306.db2.gz FRTRQHBELLITIL-UHFFFAOYSA-N -1 3 382.464 3.269 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(N3CCc4ccccc43)CC2)c1 ZINC000282836884 1435862280 /nfs/dbraw/zinc/86/22/80/1435862280.db2.gz QZIZFYNYSWCLTO-UHFFFAOYSA-N -1 3 379.460 3.018 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(F)cc2n[n-]nc21 ZINC000282899590 1435865278 /nfs/dbraw/zinc/86/52/78/1435865278.db2.gz ZYUJKCFLKFTJAM-SNVBAGLBSA-N -1 3 390.802 3.418 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2CC1 ZINC000283791175 1435924659 /nfs/dbraw/zinc/92/46/59/1435924659.db2.gz FPIRZGLYCGFTLA-UHFFFAOYSA-N -1 3 396.871 3.227 20 0 GGADHM CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000284649748 1436037222 /nfs/dbraw/zinc/03/72/22/1436037222.db2.gz FDQAZHHPWVKYKQ-CYBMUJFWSA-N -1 3 387.457 3.143 20 0 GGADHM CC[C@H](NCCC(=O)Nc1sccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000825139127 1441436694 /nfs/dbraw/zinc/43/66/94/1441436694.db2.gz CBKGJKHLSHKDER-AWEZNQCLSA-N -1 3 392.435 3.276 20 0 GGADHM CC[C@H](NCCC(=O)Nc1sccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825139127 1441436696 /nfs/dbraw/zinc/43/66/96/1441436696.db2.gz CBKGJKHLSHKDER-AWEZNQCLSA-N -1 3 392.435 3.276 20 0 GGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000821160816 1441478995 /nfs/dbraw/zinc/47/89/95/1441478995.db2.gz QSNFECSYHQUHKP-GOEBONIOSA-N -1 3 396.520 3.226 20 0 GGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000821160816 1441478999 /nfs/dbraw/zinc/47/89/99/1441478999.db2.gz QSNFECSYHQUHKP-GOEBONIOSA-N -1 3 396.520 3.226 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233004 1441555068 /nfs/dbraw/zinc/55/50/68/1441555068.db2.gz DWKNPRFGWNFITN-IIAWOOMASA-N -1 3 394.454 3.211 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233004 1441555072 /nfs/dbraw/zinc/55/50/72/1441555072.db2.gz DWKNPRFGWNFITN-IIAWOOMASA-N -1 3 394.454 3.211 20 0 GGADHM COc1ccc2[nH]cc(C3=CCN(Cc4ccc(-c5nn[n-]n5)o4)CC3)c2c1 ZINC000826212474 1441585854 /nfs/dbraw/zinc/58/58/54/1441585854.db2.gz RLJURIYJRSJTPA-UHFFFAOYSA-N -1 3 376.420 3.239 20 0 GGADHM COc1ccc2[nH]cc(C3=CCN(Cc4ccc(-c5nnn[n-]5)o4)CC3)c2c1 ZINC000826212474 1441585856 /nfs/dbraw/zinc/58/58/56/1441585856.db2.gz RLJURIYJRSJTPA-UHFFFAOYSA-N -1 3 376.420 3.239 20 0 GGADHM COc1ccc([C@H]2CCCN2CCOc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000737077491 1441592503 /nfs/dbraw/zinc/59/25/03/1441592503.db2.gz UXVDNAPRNKRBFP-LJQANCHMSA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccc([C@H]2CCCN2CCOc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737077491 1441592506 /nfs/dbraw/zinc/59/25/06/1441592506.db2.gz UXVDNAPRNKRBFP-LJQANCHMSA-N -1 3 395.463 3.100 20 0 GGADHM C[C@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824553929 1441625905 /nfs/dbraw/zinc/62/59/05/1441625905.db2.gz KQSADOJKENNIPX-UGSOOPFHSA-N -1 3 398.536 3.482 20 0 GGADHM C[C@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824553929 1441625907 /nfs/dbraw/zinc/62/59/07/1441625907.db2.gz KQSADOJKENNIPX-UGSOOPFHSA-N -1 3 398.536 3.482 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000737032695 1441648741 /nfs/dbraw/zinc/64/87/41/1441648741.db2.gz KJVPRQDJEAKOGD-LBPRGKRZSA-N -1 3 388.497 3.020 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000737032695 1441648744 /nfs/dbraw/zinc/64/87/44/1441648744.db2.gz KJVPRQDJEAKOGD-LBPRGKRZSA-N -1 3 388.497 3.020 20 0 GGADHM CCN(Cc1ccccc1OCCOC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439690 1441658855 /nfs/dbraw/zinc/65/88/55/1441658855.db2.gz KSBVAFRHVTWYEY-MRXNPFEDSA-N -1 3 381.480 3.475 20 0 GGADHM CCN(Cc1ccccc1OCCOC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439690 1441658856 /nfs/dbraw/zinc/65/88/56/1441658856.db2.gz KSBVAFRHVTWYEY-MRXNPFEDSA-N -1 3 381.480 3.475 20 0 GGADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C1CC1 ZINC000820862228 1441678686 /nfs/dbraw/zinc/67/86/86/1441678686.db2.gz PWVJMXBVZZWBQE-CMPLNLGQSA-N -1 3 376.530 3.383 20 0 GGADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CC1 ZINC000820862228 1441678687 /nfs/dbraw/zinc/67/86/87/1441678687.db2.gz PWVJMXBVZZWBQE-CMPLNLGQSA-N -1 3 376.530 3.383 20 0 GGADHM CC(C)[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736136013 1441722048 /nfs/dbraw/zinc/72/20/48/1441722048.db2.gz ZJEBWNSTDORDBK-SCLBCKFNSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736136013 1441722052 /nfs/dbraw/zinc/72/20/52/1441722052.db2.gz ZJEBWNSTDORDBK-SCLBCKFNSA-N -1 3 382.443 3.320 20 0 GGADHM CN(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736761889 1441725148 /nfs/dbraw/zinc/72/51/48/1441725148.db2.gz VXMMOVQNNOLGMK-ZDUSSCGKSA-N -1 3 395.364 3.134 20 0 GGADHM CN(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736761889 1441725154 /nfs/dbraw/zinc/72/51/54/1441725154.db2.gz VXMMOVQNNOLGMK-ZDUSSCGKSA-N -1 3 395.364 3.134 20 0 GGADHM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821000269 1441745876 /nfs/dbraw/zinc/74/58/76/1441745876.db2.gz BPVOZDBMUDMMPR-UONOGXRCSA-N -1 3 389.891 3.001 20 0 GGADHM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821000269 1441745878 /nfs/dbraw/zinc/74/58/78/1441745878.db2.gz BPVOZDBMUDMMPR-UONOGXRCSA-N -1 3 389.891 3.001 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826184264 1441766348 /nfs/dbraw/zinc/76/63/48/1441766348.db2.gz QMKFXZAPTFKYQG-HNAYVOBHSA-N -1 3 379.464 3.133 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826184264 1441766351 /nfs/dbraw/zinc/76/63/51/1441766351.db2.gz QMKFXZAPTFKYQG-HNAYVOBHSA-N -1 3 379.464 3.133 20 0 GGADHM COc1cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1OC(C)C ZINC000826179486 1441807778 /nfs/dbraw/zinc/80/77/78/1441807778.db2.gz PVFCAODQRLOTLK-UHFFFAOYSA-N -1 3 379.464 3.441 20 0 GGADHM COc1cc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1OC(C)C ZINC000826179486 1441807788 /nfs/dbraw/zinc/80/77/88/1441807788.db2.gz PVFCAODQRLOTLK-UHFFFAOYSA-N -1 3 379.464 3.441 20 0 GGADHM C[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824562676 1441821813 /nfs/dbraw/zinc/82/18/13/1441821813.db2.gz IHDZTINKNONCBK-JTQLQIEISA-N -1 3 391.262 3.463 20 0 GGADHM Cc1cccc(C)c1OCCN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737390748 1441823061 /nfs/dbraw/zinc/82/30/61/1441823061.db2.gz WTKGLASGXWXDKA-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM Cc1cccc(C)c1OCCN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737390748 1441823063 /nfs/dbraw/zinc/82/30/63/1441823063.db2.gz WTKGLASGXWXDKA-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM CN(C)C(=O)Sc1cccc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821614738 1441850498 /nfs/dbraw/zinc/85/04/98/1441850498.db2.gz SNTXCBQQVXZRDM-UHFFFAOYSA-N -1 3 382.493 3.272 20 0 GGADHM CN(C)C(=O)Sc1cccc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821614738 1441850503 /nfs/dbraw/zinc/85/05/03/1441850503.db2.gz SNTXCBQQVXZRDM-UHFFFAOYSA-N -1 3 382.493 3.272 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736238458 1441876951 /nfs/dbraw/zinc/87/69/51/1441876951.db2.gz ZEBTWTOCIGXABO-ZFWWWQNUSA-N -1 3 396.882 3.337 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000826029469 1441904881 /nfs/dbraw/zinc/90/48/81/1441904881.db2.gz SLGHRWDDTAQAJQ-IAGOWNOFSA-N -1 3 397.870 3.087 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000826029469 1441904884 /nfs/dbraw/zinc/90/48/84/1441904884.db2.gz SLGHRWDDTAQAJQ-IAGOWNOFSA-N -1 3 397.870 3.087 20 0 GGADHM O[C@@H](CN1CCCC[C@H]1c1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683063 1441905197 /nfs/dbraw/zinc/90/51/97/1441905197.db2.gz XTBWGFQIEZJKMZ-ROUUACIJSA-N -1 3 390.447 3.269 20 0 GGADHM C[C@H](NCc1cnc2ccc(Br)cn12)c1cccc(-c2nn[n-]n2)c1 ZINC000820438101 1441949413 /nfs/dbraw/zinc/94/94/13/1441949413.db2.gz IRBQBGXOMMPQLF-NSHDSACASA-N -1 3 398.268 3.128 20 0 GGADHM C[C@H](NCc1cnc2ccc(Br)cn12)c1cccc(-c2nnn[n-]2)c1 ZINC000820438101 1441949414 /nfs/dbraw/zinc/94/94/14/1441949414.db2.gz IRBQBGXOMMPQLF-NSHDSACASA-N -1 3 398.268 3.128 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000737640432 1441998261 /nfs/dbraw/zinc/99/82/61/1441998261.db2.gz WTXRWJYMPONDPJ-UHFFFAOYSA-N -1 3 381.455 3.435 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000737640432 1441998265 /nfs/dbraw/zinc/99/82/65/1441998265.db2.gz WTXRWJYMPONDPJ-UHFFFAOYSA-N -1 3 381.455 3.435 20 0 GGADHM c1ccc2c(c1)CC[C@@H](CN1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)C2 ZINC000826513795 1442001267 /nfs/dbraw/zinc/00/12/67/1442001267.db2.gz WHSLRUKTDTYZEF-IIBYNOLFSA-N -1 3 375.476 3.045 20 0 GGADHM c1ccc2c(c1)CC[C@@H](CN1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513795 1442001271 /nfs/dbraw/zinc/00/12/71/1442001271.db2.gz WHSLRUKTDTYZEF-IIBYNOLFSA-N -1 3 375.476 3.045 20 0 GGADHM C[C@H](NCC(=O)N(C1CC1)C1CCC(C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824914975 1442029569 /nfs/dbraw/zinc/02/95/69/1442029569.db2.gz AURNHYRUZQMXIS-CSLYMUCUSA-N -1 3 382.512 3.087 20 0 GGADHM C[C@H](NCC(=O)N(C1CC1)C1CCC(C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824914975 1442029572 /nfs/dbraw/zinc/02/95/72/1442029572.db2.gz AURNHYRUZQMXIS-CSLYMUCUSA-N -1 3 382.512 3.087 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821607539 1442096423 /nfs/dbraw/zinc/09/64/23/1442096423.db2.gz SVTVEIMWTYZLJF-MRXNPFEDSA-N -1 3 378.263 3.339 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821607539 1442096427 /nfs/dbraw/zinc/09/64/27/1442096427.db2.gz SVTVEIMWTYZLJF-MRXNPFEDSA-N -1 3 378.263 3.339 20 0 GGADHM CCN1CC[C@H](NCc2ccc(-c3nn[n-]n3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454204 1442113390 /nfs/dbraw/zinc/11/33/90/1442113390.db2.gz ZRYUEWNRASVQMG-DOTOQJQBSA-N -1 3 390.850 3.177 20 0 GGADHM CCN1CC[C@H](NCc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454204 1442113392 /nfs/dbraw/zinc/11/33/92/1442113392.db2.gz ZRYUEWNRASVQMG-DOTOQJQBSA-N -1 3 390.850 3.177 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000826284204 1442130001 /nfs/dbraw/zinc/13/00/01/1442130001.db2.gz NBJCOIOMNWATSY-QVKFZJNVSA-N -1 3 390.491 3.093 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000826284204 1442130005 /nfs/dbraw/zinc/13/00/05/1442130005.db2.gz NBJCOIOMNWATSY-QVKFZJNVSA-N -1 3 390.491 3.093 20 0 GGADHM CC(C)CN(Cc1nn(C)c2ccccc12)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824261480 1442194248 /nfs/dbraw/zinc/19/42/48/1442194248.db2.gz LIFGALXMTOZMLU-UHFFFAOYSA-N -1 3 375.480 3.412 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820760639 1442194728 /nfs/dbraw/zinc/19/47/28/1442194728.db2.gz RJUHDXGOEQUSJN-BETUJISGSA-N -1 3 398.433 3.187 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820760639 1442194734 /nfs/dbraw/zinc/19/47/34/1442194734.db2.gz RJUHDXGOEQUSJN-BETUJISGSA-N -1 3 398.433 3.187 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1-c1nnn[n-]1 ZINC000824329397 1442197237 /nfs/dbraw/zinc/19/72/37/1442197237.db2.gz ORQHIFLIUSMYMD-UHFFFAOYSA-N -1 3 393.495 3.125 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1-c1nn[n-]n1 ZINC000824329397 1442197241 /nfs/dbraw/zinc/19/72/41/1442197241.db2.gz ORQHIFLIUSMYMD-UHFFFAOYSA-N -1 3 393.495 3.125 20 0 GGADHM Cc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c2cc(F)ccc2n1 ZINC000826269815 1442242405 /nfs/dbraw/zinc/24/24/05/1442242405.db2.gz YIRXKSQAKQOBCP-FQEVSTJZSA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2cc(F)ccc2n1 ZINC000826269815 1442242408 /nfs/dbraw/zinc/24/24/08/1442242408.db2.gz YIRXKSQAKQOBCP-FQEVSTJZSA-N -1 3 390.422 3.440 20 0 GGADHM C[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824578292 1442283269 /nfs/dbraw/zinc/28/32/69/1442283269.db2.gz SBGGZHDDNGXNBO-SJKOYZFVSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578292 1442283272 /nfs/dbraw/zinc/28/32/72/1442283272.db2.gz SBGGZHDDNGXNBO-SJKOYZFVSA-N -1 3 382.855 3.364 20 0 GGADHM COc1cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc(Cl)c1OC ZINC000826179298 1442284899 /nfs/dbraw/zinc/28/48/99/1442284899.db2.gz IQDFWAFWKFNBHZ-UHFFFAOYSA-N -1 3 385.855 3.316 20 0 GGADHM C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824554689 1442291350 /nfs/dbraw/zinc/29/13/50/1442291350.db2.gz QSQLGSWDNIGXHO-OAHLLOKOSA-N -1 3 390.491 3.053 20 0 GGADHM C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824554689 1442291354 /nfs/dbraw/zinc/29/13/54/1442291354.db2.gz QSQLGSWDNIGXHO-OAHLLOKOSA-N -1 3 390.491 3.053 20 0 GGADHM CCCN(CCN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000825313655 1442336188 /nfs/dbraw/zinc/33/61/88/1442336188.db2.gz NIYWNMPYEZWSAB-ZDUSSCGKSA-N -1 3 392.479 3.304 20 0 GGADHM CCCN(CCN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000825313655 1442336195 /nfs/dbraw/zinc/33/61/95/1442336195.db2.gz NIYWNMPYEZWSAB-ZDUSSCGKSA-N -1 3 392.479 3.304 20 0 GGADHM CCCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821042486 1442336291 /nfs/dbraw/zinc/33/62/91/1442336291.db2.gz CKMDGJDWWDVEIW-OAHLLOKOSA-N -1 3 392.479 3.179 20 0 GGADHM CCCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821042486 1442336296 /nfs/dbraw/zinc/33/62/96/1442336296.db2.gz CKMDGJDWWDVEIW-OAHLLOKOSA-N -1 3 392.479 3.179 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC2(CCCC2)C1 ZINC000819877272 1442373926 /nfs/dbraw/zinc/37/39/26/1442373926.db2.gz RYKOYIQPOYTLMK-GFCCVEGCSA-N -1 3 386.525 3.010 20 0 GGADHM COc1ccc2c(c1)OCC[C@H]2N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826213095 1442385969 /nfs/dbraw/zinc/38/59/69/1442385969.db2.gz KXKIMDFVIOFJHK-RTBURBONSA-N -1 3 377.448 3.366 20 0 GGADHM COc1ccc2c(c1)OCC[C@H]2N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826213095 1442385974 /nfs/dbraw/zinc/38/59/74/1442385974.db2.gz KXKIMDFVIOFJHK-RTBURBONSA-N -1 3 377.448 3.366 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000826169542 1442401138 /nfs/dbraw/zinc/40/11/38/1442401138.db2.gz WPKMQZRWXVLDFT-UHFFFAOYSA-N -1 3 383.427 3.058 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820225287 1442415678 /nfs/dbraw/zinc/41/56/78/1442415678.db2.gz FRGWBPDJYYQANI-NSHDSACASA-N -1 3 388.834 3.166 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820225287 1442415680 /nfs/dbraw/zinc/41/56/80/1442415680.db2.gz FRGWBPDJYYQANI-NSHDSACASA-N -1 3 388.834 3.166 20 0 GGADHM COC(=O)C(C)(C)[C@@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826098431 1442421507 /nfs/dbraw/zinc/42/15/07/1442421507.db2.gz DXTXKVHPKPDRKY-KRWDZBQOSA-N -1 3 383.427 3.036 20 0 GGADHM COC(=O)C(C)(C)[C@@H](NCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826098431 1442421509 /nfs/dbraw/zinc/42/15/09/1442421509.db2.gz DXTXKVHPKPDRKY-KRWDZBQOSA-N -1 3 383.427 3.036 20 0 GGADHM O[C@H](CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1)c1ccco1 ZINC000826502701 1442429323 /nfs/dbraw/zinc/42/93/23/1442429323.db2.gz IZPPFRZFAJQXET-MRXNPFEDSA-N -1 3 381.461 3.257 20 0 GGADHM O[C@H](CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1)c1ccco1 ZINC000826502701 1442429325 /nfs/dbraw/zinc/42/93/25/1442429325.db2.gz IZPPFRZFAJQXET-MRXNPFEDSA-N -1 3 381.461 3.257 20 0 GGADHM CCOCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821384360 1443087621 /nfs/dbraw/zinc/08/76/21/1443087621.db2.gz WILMBKSWHGBKEJ-INIZCTEOSA-N -1 3 381.480 3.441 20 0 GGADHM C[C@H]1CN(CCCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000820758740 1443094548 /nfs/dbraw/zinc/09/45/48/1443094548.db2.gz CJKCCKOLGQMFSI-STQMWFEESA-N -1 3 398.433 3.187 20 0 GGADHM C[C@H]1CN(CCCCNc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000820758740 1443094550 /nfs/dbraw/zinc/09/45/50/1443094550.db2.gz CJKCCKOLGQMFSI-STQMWFEESA-N -1 3 398.433 3.187 20 0 GGADHM C[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824554155 1443148467 /nfs/dbraw/zinc/14/84/67/1443148467.db2.gz NFAIXOBUXGTSLJ-INIZCTEOSA-N -1 3 392.507 3.345 20 0 GGADHM C[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824554155 1443148471 /nfs/dbraw/zinc/14/84/71/1443148471.db2.gz NFAIXOBUXGTSLJ-INIZCTEOSA-N -1 3 392.507 3.345 20 0 GGADHM CC[C@@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000736322959 1443185609 /nfs/dbraw/zinc/18/56/09/1443185609.db2.gz SFUBJROBQYUSLV-GFCCVEGCSA-N -1 3 399.474 3.082 20 0 GGADHM CC[C@@H](C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000736322959 1443185612 /nfs/dbraw/zinc/18/56/12/1443185612.db2.gz SFUBJROBQYUSLV-GFCCVEGCSA-N -1 3 399.474 3.082 20 0 GGADHM COc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2)cc1OC1CCCC1 ZINC000737092645 1443190946 /nfs/dbraw/zinc/19/09/46/1443190946.db2.gz OQDIOQVOSGCELR-UHFFFAOYSA-N -1 3 379.464 3.487 20 0 GGADHM COc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2)cc1OC1CCCC1 ZINC000737092645 1443190949 /nfs/dbraw/zinc/19/09/49/1443190949.db2.gz OQDIOQVOSGCELR-UHFFFAOYSA-N -1 3 379.464 3.487 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCCc1csc(-c2ccccc2)n1 ZINC000822743693 1443288347 /nfs/dbraw/zinc/28/83/47/1443288347.db2.gz DLZLLDBGJQTTHF-UHFFFAOYSA-N -1 3 380.452 3.462 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCCc1csc(-c2ccccc2)n1 ZINC000822743693 1443288350 /nfs/dbraw/zinc/28/83/50/1443288350.db2.gz DLZLLDBGJQTTHF-UHFFFAOYSA-N -1 3 380.452 3.462 20 0 GGADHM CCCCOc1ccc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000821077400 1443329490 /nfs/dbraw/zinc/32/94/90/1443329490.db2.gz DNBVDFJESMYFSY-UHFFFAOYSA-N -1 3 397.479 3.353 20 0 GGADHM CCCCOc1ccc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000821077400 1443329495 /nfs/dbraw/zinc/32/94/95/1443329495.db2.gz DNBVDFJESMYFSY-UHFFFAOYSA-N -1 3 397.479 3.353 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CCOCC1 ZINC000824293814 1443388248 /nfs/dbraw/zinc/38/82/48/1443388248.db2.gz YHHSZEDUWQXSTJ-UHFFFAOYSA-N -1 3 380.290 3.019 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CCOCC1 ZINC000824293814 1443388250 /nfs/dbraw/zinc/38/82/50/1443388250.db2.gz YHHSZEDUWQXSTJ-UHFFFAOYSA-N -1 3 380.290 3.019 20 0 GGADHM C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736130623 1443420919 /nfs/dbraw/zinc/42/09/19/1443420919.db2.gz HUNTTXMXIBAPIS-YJYMSZOUSA-N -1 3 394.454 3.464 20 0 GGADHM C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736130623 1443420922 /nfs/dbraw/zinc/42/09/22/1443420922.db2.gz HUNTTXMXIBAPIS-YJYMSZOUSA-N -1 3 394.454 3.464 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826349424 1443444761 /nfs/dbraw/zinc/44/47/61/1443444761.db2.gz HQVCTEMYYCENOG-KRWDZBQOSA-N -1 3 382.493 3.224 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826349424 1443444763 /nfs/dbraw/zinc/44/47/63/1443444763.db2.gz HQVCTEMYYCENOG-KRWDZBQOSA-N -1 3 382.493 3.224 20 0 GGADHM CN(CCCOc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000825923099 1443469827 /nfs/dbraw/zinc/46/98/27/1443469827.db2.gz BXJJUMBIJGLEOJ-UHFFFAOYSA-N -1 3 377.370 3.185 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N(C)C ZINC000735691940 1443473932 /nfs/dbraw/zinc/47/39/32/1443473932.db2.gz RACOBVFXYJQRGP-SFHVURJKSA-N -1 3 380.452 3.184 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N(C)C ZINC000735691940 1443473933 /nfs/dbraw/zinc/47/39/33/1443473933.db2.gz RACOBVFXYJQRGP-SFHVURJKSA-N -1 3 380.452 3.184 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CC[C@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826332336 1443487983 /nfs/dbraw/zinc/48/79/83/1443487983.db2.gz QQPVWNZOGCSKEZ-IBGZPJMESA-N -1 3 385.475 3.178 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN2CC[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826332336 1443487984 /nfs/dbraw/zinc/48/79/84/1443487984.db2.gz QQPVWNZOGCSKEZ-IBGZPJMESA-N -1 3 385.475 3.178 20 0 GGADHM OC1(CN(Cc2ccccc2)Cc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC000823696463 1443495185 /nfs/dbraw/zinc/49/51/85/1443495185.db2.gz DZZWFQYTRFEMBT-UHFFFAOYSA-N -1 3 381.455 3.313 20 0 GGADHM OC1(CN(Cc2ccccc2)Cc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC000823696463 1443495188 /nfs/dbraw/zinc/49/51/88/1443495188.db2.gz DZZWFQYTRFEMBT-UHFFFAOYSA-N -1 3 381.455 3.313 20 0 GGADHM COc1cccc(OCCN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826217642 1443545319 /nfs/dbraw/zinc/54/53/19/1443545319.db2.gz WGBUHRQZNDVNHB-UHFFFAOYSA-N -1 3 377.448 3.043 20 0 GGADHM COc1cccc(OCCN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826217642 1443545322 /nfs/dbraw/zinc/54/53/22/1443545322.db2.gz WGBUHRQZNDVNHB-UHFFFAOYSA-N -1 3 377.448 3.043 20 0 GGADHM Cc1ccc(CNCc2cccc(-c3nn[n-]n3)c2)c(OC[C@H]2CCCO2)c1 ZINC000822238810 1443582397 /nfs/dbraw/zinc/58/23/97/1443582397.db2.gz VUQNNEDFRXGAOY-LJQANCHMSA-N -1 3 379.464 3.023 20 0 GGADHM O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826506486 1443608775 /nfs/dbraw/zinc/60/87/75/1443608775.db2.gz VQLUAWLJZKDMDV-JSGCOSHPSA-N -1 3 395.410 3.255 20 0 GGADHM O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826506486 1443608777 /nfs/dbraw/zinc/60/87/77/1443608777.db2.gz VQLUAWLJZKDMDV-JSGCOSHPSA-N -1 3 395.410 3.255 20 0 GGADHM C[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824562002 1443616154 /nfs/dbraw/zinc/61/61/54/1443616154.db2.gz AREWWRDFSYBRPH-JTQLQIEISA-N -1 3 391.262 3.463 20 0 GGADHM CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825067815 1443619581 /nfs/dbraw/zinc/61/95/81/1443619581.db2.gz NPLHFFABUNSPSI-HUUCEWRRSA-N -1 3 378.480 3.099 20 0 GGADHM CC(C)C[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820068098 1443647749 /nfs/dbraw/zinc/64/77/49/1443647749.db2.gz NXLCUTYVPYBXSV-QWHCGFSZSA-N -1 3 388.541 3.112 20 0 GGADHM CC(C)C[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820068098 1443647751 /nfs/dbraw/zinc/64/77/51/1443647751.db2.gz NXLCUTYVPYBXSV-QWHCGFSZSA-N -1 3 388.541 3.112 20 0 GGADHM COC(=O)C(C)(C)[C@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826098432 1443687688 /nfs/dbraw/zinc/68/76/88/1443687688.db2.gz DXTXKVHPKPDRKY-QGZVFWFLSA-N -1 3 383.427 3.036 20 0 GGADHM COC(=O)C(C)(C)[C@H](NCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826098432 1443687692 /nfs/dbraw/zinc/68/76/92/1443687692.db2.gz DXTXKVHPKPDRKY-QGZVFWFLSA-N -1 3 383.427 3.036 20 0 GGADHM CC[C@H](C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000736323706 1443704205 /nfs/dbraw/zinc/70/42/05/1443704205.db2.gz YBUSELCMAZVVDG-ZDUSSCGKSA-N -1 3 387.532 3.317 20 0 GGADHM CC[C@H](C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000736323706 1443704208 /nfs/dbraw/zinc/70/42/08/1443704208.db2.gz YBUSELCMAZVVDG-ZDUSSCGKSA-N -1 3 387.532 3.317 20 0 GGADHM COc1ccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000821804920 1443720964 /nfs/dbraw/zinc/72/09/64/1443720964.db2.gz QYLFDIJIPJBYLF-MOPGFXCFSA-N -1 3 383.427 3.024 20 0 GGADHM C[C@H]1CN(CCCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820759102 1443731953 /nfs/dbraw/zinc/73/19/53/1443731953.db2.gz HDXKYKCZGIIVMM-STQMWFEESA-N -1 3 398.433 3.187 20 0 GGADHM C[C@H]1CN(CCCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820759102 1443731954 /nfs/dbraw/zinc/73/19/54/1443731954.db2.gz HDXKYKCZGIIVMM-STQMWFEESA-N -1 3 398.433 3.187 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820413812 1443750564 /nfs/dbraw/zinc/75/05/64/1443750564.db2.gz VYYAXSLVJRJNQB-IHRRRGAJSA-N -1 3 398.898 3.437 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820413812 1443750566 /nfs/dbraw/zinc/75/05/66/1443750566.db2.gz VYYAXSLVJRJNQB-IHRRRGAJSA-N -1 3 398.898 3.437 20 0 GGADHM Clc1ccc(O[C@@H]2CCN(Cc3ccnc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826352570 1443761181 /nfs/dbraw/zinc/76/11/81/1443761181.db2.gz GEGWFXLFKUXCIS-CYBMUJFWSA-N -1 3 391.262 3.222 20 0 GGADHM C[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000824626194 1443774055 /nfs/dbraw/zinc/77/40/55/1443774055.db2.gz NLWZOOSFTBDMQB-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@H](NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000824626194 1443774058 /nfs/dbraw/zinc/77/40/58/1443774058.db2.gz NLWZOOSFTBDMQB-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM CC[C@@H](CNCc1ccc(-c2nn[n-]n2)o1)Oc1ccccc1C(F)(F)F ZINC000820907777 1443823541 /nfs/dbraw/zinc/82/35/41/1443823541.db2.gz HAUXRJUZPRIVAM-NSHDSACASA-N -1 3 381.358 3.426 20 0 GGADHM CC[C@@H](CNCc1ccc(-c2nnn[n-]2)o1)Oc1ccccc1C(F)(F)F ZINC000820907777 1443823544 /nfs/dbraw/zinc/82/35/44/1443823544.db2.gz HAUXRJUZPRIVAM-NSHDSACASA-N -1 3 381.358 3.426 20 0 GGADHM c1ccc2c(c1)CC[C@H](CN1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)C2 ZINC000826513796 1443843950 /nfs/dbraw/zinc/84/39/50/1443843950.db2.gz WHSLRUKTDTYZEF-KKSFZXQISA-N -1 3 375.476 3.045 20 0 GGADHM c1ccc2c(c1)CC[C@H](CN1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513796 1443843952 /nfs/dbraw/zinc/84/39/52/1443843952.db2.gz WHSLRUKTDTYZEF-KKSFZXQISA-N -1 3 375.476 3.045 20 0 GGADHM Fc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737651472 1443852492 /nfs/dbraw/zinc/85/24/92/1443852492.db2.gz UUNNBHQFQKZAIP-KRWDZBQOSA-N -1 3 381.411 3.114 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821614728 1443867315 /nfs/dbraw/zinc/86/73/15/1443867315.db2.gz SGQQVXCCSJHSRO-MRXNPFEDSA-N -1 3 377.370 3.051 20 0 GGADHM C[C@H]1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820722275 1443869878 /nfs/dbraw/zinc/86/98/78/1443869878.db2.gz GWXVXGCEWZFDAD-JSGCOSHPSA-N -1 3 386.481 3.323 20 0 GGADHM C[C@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820722275 1443869883 /nfs/dbraw/zinc/86/98/83/1443869883.db2.gz GWXVXGCEWZFDAD-JSGCOSHPSA-N -1 3 386.481 3.323 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820642331 1443882076 /nfs/dbraw/zinc/88/20/76/1443882076.db2.gz IAEIEMSEWJYABM-XJKSGUPXSA-N -1 3 396.882 3.337 20 0 GGADHM CC[C@H]1c2ccsc2CCN1CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736410734 1443931152 /nfs/dbraw/zinc/93/11/52/1443931152.db2.gz LHWYMELVWCNNKV-HNNXBMFYSA-N -1 3 385.493 3.325 20 0 GGADHM c1ccc2sc(C3CCN(Cc4ccnc(-c5nnn[n-]5)c4)CC3)nc2c1 ZINC000826524514 1443960005 /nfs/dbraw/zinc/96/00/05/1443960005.db2.gz XYHNDATZCSFTRR-UHFFFAOYSA-N -1 3 377.477 3.251 20 0 GGADHM c1ccc2sc(C3CCN(Cc4ccnc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000826524514 1443960007 /nfs/dbraw/zinc/96/00/07/1443960007.db2.gz XYHNDATZCSFTRR-UHFFFAOYSA-N -1 3 377.477 3.251 20 0 GGADHM CN(C)C(=O)C[C@H](N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000825841242 1443984356 /nfs/dbraw/zinc/98/43/56/1443984356.db2.gz ULRHHCBKRZOFDN-UXHICEINSA-N -1 3 390.491 3.053 20 0 GGADHM CN(C)C(=O)C[C@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841242 1443984359 /nfs/dbraw/zinc/98/43/59/1443984359.db2.gz ULRHHCBKRZOFDN-UXHICEINSA-N -1 3 390.491 3.053 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825218056 1443994707 /nfs/dbraw/zinc/99/47/07/1443994707.db2.gz BEPINEGVFYIECM-SUMWQHHRSA-N -1 3 396.520 3.115 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737891531 1444001604 /nfs/dbraw/zinc/00/16/04/1444001604.db2.gz NKOFTQKIHFIIPL-KRWDZBQOSA-N -1 3 382.493 3.388 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737891531 1444001607 /nfs/dbraw/zinc/00/16/07/1444001607.db2.gz NKOFTQKIHFIIPL-KRWDZBQOSA-N -1 3 382.493 3.388 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2C)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826305563 1444004647 /nfs/dbraw/zinc/00/46/47/1444004647.db2.gz BJZODIXCACKWBV-FZKQIMNGSA-N -1 3 394.479 3.453 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826305563 1444004649 /nfs/dbraw/zinc/00/46/49/1444004649.db2.gz BJZODIXCACKWBV-FZKQIMNGSA-N -1 3 394.479 3.453 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826506232 1444010360 /nfs/dbraw/zinc/01/03/60/1444010360.db2.gz PFXYVQGSJJPMTA-SJORKVTESA-N -1 3 389.381 3.193 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826213092 1444010548 /nfs/dbraw/zinc/01/05/48/1444010548.db2.gz KXKIMDFVIOFJHK-MOPGFXCFSA-N -1 3 377.448 3.366 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826213092 1444010552 /nfs/dbraw/zinc/01/05/52/1444010552.db2.gz KXKIMDFVIOFJHK-MOPGFXCFSA-N -1 3 377.448 3.366 20 0 GGADHM Clc1ccccc1OC[C@@H]1CCCN(Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000826354042 1444017313 /nfs/dbraw/zinc/01/73/13/1444017313.db2.gz NVIXIXIQVUTXGI-OAHLLOKOSA-N -1 3 384.871 3.206 20 0 GGADHM Clc1ccccc1OC[C@@H]1CCCN(Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826354042 1444017318 /nfs/dbraw/zinc/01/73/18/1444017318.db2.gz NVIXIXIQVUTXGI-OAHLLOKOSA-N -1 3 384.871 3.206 20 0 GGADHM C[C@H](NCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000824599764 1446087209 /nfs/dbraw/zinc/08/72/09/1446087209.db2.gz RVVGFZFWKRCPEB-LBPRGKRZSA-N -1 3 375.379 3.198 20 0 GGADHM C[C@H](NCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000824599764 1446087216 /nfs/dbraw/zinc/08/72/16/1446087216.db2.gz RVVGFZFWKRCPEB-LBPRGKRZSA-N -1 3 375.379 3.198 20 0 GGADHM CC(C)(C)[C@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735597179 1446100185 /nfs/dbraw/zinc/10/01/85/1446100185.db2.gz NDEAXEWBGOAGKX-FUHWJXTLSA-N -1 3 382.512 3.120 20 0 GGADHM CC(C)(C)[C@H]1CCCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597179 1446100187 /nfs/dbraw/zinc/10/01/87/1446100187.db2.gz NDEAXEWBGOAGKX-FUHWJXTLSA-N -1 3 382.512 3.120 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000735732551 1446119861 /nfs/dbraw/zinc/11/98/61/1446119861.db2.gz BAHCFMUYPZSMLZ-SFHVURJKSA-N -1 3 384.871 3.446 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000735732551 1446119864 /nfs/dbraw/zinc/11/98/64/1446119864.db2.gz BAHCFMUYPZSMLZ-SFHVURJKSA-N -1 3 384.871 3.446 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826330819 1446183698 /nfs/dbraw/zinc/18/36/98/1446183698.db2.gz JCWUUNMUJCVLTL-ZDUSSCGKSA-N -1 3 377.427 3.351 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736269982 1446193075 /nfs/dbraw/zinc/19/30/75/1446193075.db2.gz IBBUEXZYXOBVPF-JXFKEZNVSA-N -1 3 385.512 3.305 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736269982 1446193076 /nfs/dbraw/zinc/19/30/76/1446193076.db2.gz IBBUEXZYXOBVPF-JXFKEZNVSA-N -1 3 385.512 3.305 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)[C@@H](O)c1c(F)cccc1F ZINC000825139030 1446303122 /nfs/dbraw/zinc/30/31/22/1446303122.db2.gz AFZDSEZSZGDQNU-MENVHETRSA-N -1 3 391.397 3.447 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)[C@@H](O)c1c(F)cccc1F ZINC000825139030 1446303125 /nfs/dbraw/zinc/30/31/25/1446303125.db2.gz AFZDSEZSZGDQNU-MENVHETRSA-N -1 3 391.397 3.447 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)c(-c2nn[n-]n2)c1C ZINC000737552008 1446312051 /nfs/dbraw/zinc/31/20/51/1446312051.db2.gz MWFLDPAZDZICKH-GOSISDBHSA-N -1 3 398.442 3.285 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)c(-c2nnn[n-]2)c1C ZINC000737552008 1446312055 /nfs/dbraw/zinc/31/20/55/1446312055.db2.gz MWFLDPAZDZICKH-GOSISDBHSA-N -1 3 398.442 3.285 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)C[C@@H]1CC=CCC1 ZINC000824052136 1446376851 /nfs/dbraw/zinc/37/68/51/1446376851.db2.gz LOTPZECMNXCYND-CHWSQXEVSA-N -1 3 386.525 3.032 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)C[C@@H]1CC=CCC1 ZINC000824052136 1446376856 /nfs/dbraw/zinc/37/68/56/1446376856.db2.gz LOTPZECMNXCYND-CHWSQXEVSA-N -1 3 386.525 3.032 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C)c2C)c(-c2nn[n-]n2)c1C ZINC000826296127 1446416820 /nfs/dbraw/zinc/41/68/20/1446416820.db2.gz KEAIOALPOVWEBZ-ZIAGYGMSSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C)c2C)c(-c2nnn[n-]2)c1C ZINC000826296127 1446416822 /nfs/dbraw/zinc/41/68/22/1446416822.db2.gz KEAIOALPOVWEBZ-ZIAGYGMSSA-N -1 3 382.468 3.371 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824334248 1446468124 /nfs/dbraw/zinc/46/81/24/1446468124.db2.gz SWOUVCFLTQUCOS-DJJJIMSYSA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824334248 1446468125 /nfs/dbraw/zinc/46/81/25/1446468125.db2.gz SWOUVCFLTQUCOS-DJJJIMSYSA-N -1 3 385.443 3.177 20 0 GGADHM Cc1cc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1F ZINC000826261440 1446513108 /nfs/dbraw/zinc/51/31/08/1446513108.db2.gz FQAGCSWOIRGSIL-IFXJQAMLSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1F ZINC000826261440 1446513112 /nfs/dbraw/zinc/51/31/12/1446513112.db2.gz FQAGCSWOIRGSIL-IFXJQAMLSA-N -1 3 394.454 3.160 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825669033 1446561939 /nfs/dbraw/zinc/56/19/39/1446561939.db2.gz OQAKTIQYDKOUBV-KGLIPLIRSA-N -1 3 385.493 3.072 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825669033 1446561941 /nfs/dbraw/zinc/56/19/41/1446561941.db2.gz OQAKTIQYDKOUBV-KGLIPLIRSA-N -1 3 385.493 3.072 20 0 GGADHM Cc1cccc(OCCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737412106 1446567073 /nfs/dbraw/zinc/56/70/73/1446567073.db2.gz UFACFJVNHSANHD-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM Cc1cccc(OCCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737412106 1446567077 /nfs/dbraw/zinc/56/70/77/1446567077.db2.gz UFACFJVNHSANHD-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612679 1446598572 /nfs/dbraw/zinc/59/85/72/1446598572.db2.gz ORIXQJMHNIZNKP-CQSZACIVSA-N -1 3 377.427 3.101 20 0 GGADHM C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612679 1446598574 /nfs/dbraw/zinc/59/85/74/1446598574.db2.gz ORIXQJMHNIZNKP-CQSZACIVSA-N -1 3 377.427 3.101 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826188627 1446614709 /nfs/dbraw/zinc/61/47/09/1446614709.db2.gz BRLSKMXPIVTPSS-VLXJIEOASA-N -1 3 385.443 3.441 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826188627 1446614711 /nfs/dbraw/zinc/61/47/11/1446614711.db2.gz BRLSKMXPIVTPSS-VLXJIEOASA-N -1 3 385.443 3.441 20 0 GGADHM COc1ccc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1Cl ZINC000826194356 1446643380 /nfs/dbraw/zinc/64/33/80/1446643380.db2.gz KEZBNODRFFIGPM-UHFFFAOYSA-N -1 3 398.898 3.241 20 0 GGADHM CC[C@@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2C2CCCC2)C1 ZINC000820989624 1446695385 /nfs/dbraw/zinc/69/53/85/1446695385.db2.gz XIPNVBCHQSELSV-OAHLLOKOSA-N -1 3 385.516 3.071 20 0 GGADHM CC[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCC2)C1 ZINC000820989624 1446695395 /nfs/dbraw/zinc/69/53/95/1446695395.db2.gz XIPNVBCHQSELSV-OAHLLOKOSA-N -1 3 385.516 3.071 20 0 GGADHM CC(C)N1CC[C@@H](NCc2ccc(-c3nn[n-]n3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000824296282 1446719306 /nfs/dbraw/zinc/71/93/06/1446719306.db2.gz FYPDUZJRYRSOSH-SJLPKXTDSA-N -1 3 388.422 3.052 20 0 GGADHM CC(C)N1CC[C@@H](NCc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000824296282 1446719310 /nfs/dbraw/zinc/71/93/10/1446719310.db2.gz FYPDUZJRYRSOSH-SJLPKXTDSA-N -1 3 388.422 3.052 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000826168325 1446776110 /nfs/dbraw/zinc/77/61/10/1446776110.db2.gz JTYDEJSPQJQQAB-UHFFFAOYSA-N -1 3 378.480 3.260 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000826168325 1446776115 /nfs/dbraw/zinc/77/61/15/1446776115.db2.gz JTYDEJSPQJQQAB-UHFFFAOYSA-N -1 3 378.480 3.260 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@H](C)C2(C)CC2)c1-c1nn[n-]n1 ZINC000822016362 1446777080 /nfs/dbraw/zinc/77/70/80/1446777080.db2.gz YORILZHYMPDSTN-OAHLLOKOSA-N -1 3 399.543 3.459 20 0 GGADHM COc1cccc(CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]2CCCO2)c1 ZINC000821867380 1446901956 /nfs/dbraw/zinc/90/19/56/1446901956.db2.gz DRAHYSKKIUCCNL-LJQANCHMSA-N -1 3 397.454 3.196 20 0 GGADHM COc1cccc(CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]2CCCO2)c1 ZINC000821867380 1446901961 /nfs/dbraw/zinc/90/19/61/1446901961.db2.gz DRAHYSKKIUCCNL-LJQANCHMSA-N -1 3 397.454 3.196 20 0 GGADHM FC(F)(F)c1cc(NCCN2CCc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737633991 1446924171 /nfs/dbraw/zinc/92/41/71/1446924171.db2.gz XDEJHOOISIPWIF-UHFFFAOYSA-N -1 3 388.397 3.356 20 0 GGADHM FC(F)(F)c1cc(NCCN2CCc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737633991 1446924175 /nfs/dbraw/zinc/92/41/75/1446924175.db2.gz XDEJHOOISIPWIF-UHFFFAOYSA-N -1 3 388.397 3.356 20 0 GGADHM Cc1cccc(-c2cccc(CNCc3cnc4c(-c5nn[n-]n5)cnn4c3)c2)c1 ZINC000737381535 1446928482 /nfs/dbraw/zinc/92/84/82/1446928482.db2.gz YXNJZMJAICSHDJ-UHFFFAOYSA-N -1 3 396.458 3.175 20 0 GGADHM Cc1cccc(-c2cccc(CNCc3cnc4c(-c5nnn[n-]5)cnn4c3)c2)c1 ZINC000737381535 1446928484 /nfs/dbraw/zinc/92/84/84/1446928484.db2.gz YXNJZMJAICSHDJ-UHFFFAOYSA-N -1 3 396.458 3.175 20 0 GGADHM C[C@@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824555084 1446970196 /nfs/dbraw/zinc/97/01/96/1446970196.db2.gz UQPAJWXSBMNBHF-OLZOCXBDSA-N -1 3 384.871 3.048 20 0 GGADHM C[C@@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824555084 1446970197 /nfs/dbraw/zinc/97/01/97/1446970197.db2.gz UQPAJWXSBMNBHF-OLZOCXBDSA-N -1 3 384.871 3.048 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000826275902 1447026744 /nfs/dbraw/zinc/02/67/44/1447026744.db2.gz OAPTUGZNJSOSGV-KRWDZBQOSA-N -1 3 383.887 3.473 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000826275902 1447026749 /nfs/dbraw/zinc/02/67/49/1447026749.db2.gz OAPTUGZNJSOSGV-KRWDZBQOSA-N -1 3 383.887 3.473 20 0 GGADHM COCCc1nc(C)c([C@H](C)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000826163496 1447063735 /nfs/dbraw/zinc/06/37/35/1447063735.db2.gz XGARYFSFLYEZIH-ZDUSSCGKSA-N -1 3 384.509 3.160 20 0 GGADHM O=C1[C@@H](N[C@H](c2ccccc2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476955 1447079048 /nfs/dbraw/zinc/07/90/48/1447079048.db2.gz SIVVTSUQVBWGCR-VQTJNVASSA-N -1 3 388.475 3.103 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000826182509 1447179334 /nfs/dbraw/zinc/17/93/34/1447179334.db2.gz MBRDMPLGOUGPIT-UHFFFAOYSA-N -1 3 387.447 3.041 20 0 GGADHM CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736535905 1447209598 /nfs/dbraw/zinc/20/95/98/1447209598.db2.gz YBOOMCUSCVKRCU-DNVCBOLYSA-N -1 3 392.463 3.275 20 0 GGADHM O[C@H](CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510697 1447210125 /nfs/dbraw/zinc/21/01/25/1447210125.db2.gz GGURZNDKZDCNTA-LJQANCHMSA-N -1 3 399.882 3.097 20 0 GGADHM O[C@H](CN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510697 1447210127 /nfs/dbraw/zinc/21/01/27/1447210127.db2.gz GGURZNDKZDCNTA-LJQANCHMSA-N -1 3 399.882 3.097 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)[C@H](C)c1sc(C)nc1C ZINC000737032694 1447230356 /nfs/dbraw/zinc/23/03/56/1447230356.db2.gz KJVPRQDJEAKOGD-GFCCVEGCSA-N -1 3 388.497 3.020 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)[C@H](C)c1sc(C)nc1C ZINC000737032694 1447230359 /nfs/dbraw/zinc/23/03/59/1447230359.db2.gz KJVPRQDJEAKOGD-GFCCVEGCSA-N -1 3 388.497 3.020 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000825317997 1447280539 /nfs/dbraw/zinc/28/05/39/1447280539.db2.gz GNBWONDKELVYTP-UHFFFAOYSA-N -1 3 377.496 3.274 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000825317997 1447280545 /nfs/dbraw/zinc/28/05/45/1447280545.db2.gz GNBWONDKELVYTP-UHFFFAOYSA-N -1 3 377.496 3.274 20 0 GGADHM C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824613592 1447295260 /nfs/dbraw/zinc/29/52/60/1447295260.db2.gz VLTOLXOVYGRARS-GFCCVEGCSA-N -1 3 381.390 3.181 20 0 GGADHM C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824613592 1447295263 /nfs/dbraw/zinc/29/52/63/1447295263.db2.gz VLTOLXOVYGRARS-GFCCVEGCSA-N -1 3 381.390 3.181 20 0 GGADHM Cc1ccc([C@@H](Cn2ccnc2)NCc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000826284575 1447305808 /nfs/dbraw/zinc/30/58/08/1447305808.db2.gz YDNDSUJEFXDSGQ-QGZVFWFLSA-N -1 3 379.493 3.273 20 0 GGADHM Cc1ccc([C@@H](Cn2ccnc2)NCc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000826284575 1447305812 /nfs/dbraw/zinc/30/58/12/1447305812.db2.gz YDNDSUJEFXDSGQ-QGZVFWFLSA-N -1 3 379.493 3.273 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825139091 1447331036 /nfs/dbraw/zinc/33/10/36/1447331036.db2.gz BLZGPTMXYYZLNR-CZUORRHYSA-N -1 3 382.468 3.453 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825139091 1447331045 /nfs/dbraw/zinc/33/10/45/1447331045.db2.gz BLZGPTMXYYZLNR-CZUORRHYSA-N -1 3 382.468 3.453 20 0 GGADHM O=C(CN1CC[C@H](Cc2ccccc2)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737875327 1447340780 /nfs/dbraw/zinc/34/07/80/1447340780.db2.gz JDGRDMNJVOWQBA-OAHLLOKOSA-N -1 3 396.882 3.023 20 0 GGADHM C[C@H](NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000824599684 1449045003 /nfs/dbraw/zinc/04/50/03/1449045003.db2.gz QVOTXIKQKNJEQZ-LBPRGKRZSA-N -1 3 388.269 3.359 20 0 GGADHM C[C@H](NCCOc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000824599684 1449045006 /nfs/dbraw/zinc/04/50/06/1449045006.db2.gz QVOTXIKQKNJEQZ-LBPRGKRZSA-N -1 3 388.269 3.359 20 0 GGADHM Cn1cc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C(C)(C)C)n1 ZINC000826360326 1449159212 /nfs/dbraw/zinc/15/92/12/1449159212.db2.gz GMTDLPOQSVKZHE-UHFFFAOYSA-N -1 3 377.496 3.187 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000822191584 1449180072 /nfs/dbraw/zinc/18/00/72/1449180072.db2.gz KQZYBHRCRHCOTA-CQSZACIVSA-N -1 3 375.436 3.404 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000822191584 1449180079 /nfs/dbraw/zinc/18/00/79/1449180079.db2.gz KQZYBHRCRHCOTA-CQSZACIVSA-N -1 3 375.436 3.404 20 0 GGADHM FC(F)(F)COCc1ccc(CNCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822718473 1449193037 /nfs/dbraw/zinc/19/30/37/1449193037.db2.gz JJGWTGWZVFZMBK-UHFFFAOYSA-N -1 3 383.399 3.297 20 0 GGADHM FC(F)(F)COCc1ccc(CNCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822718473 1449193042 /nfs/dbraw/zinc/19/30/42/1449193042.db2.gz JJGWTGWZVFZMBK-UHFFFAOYSA-N -1 3 383.399 3.297 20 0 GGADHM COc1cc(CN2C[C@@H]3CCC[C@H]32)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000821717000 1449197296 /nfs/dbraw/zinc/19/72/96/1449197296.db2.gz JFRMNXLOCKIZEM-RBUKOAKNSA-N -1 3 391.475 3.439 20 0 GGADHM COc1cc(CN2C[C@@H]3CCC[C@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821717000 1449197302 /nfs/dbraw/zinc/19/73/02/1449197302.db2.gz JFRMNXLOCKIZEM-RBUKOAKNSA-N -1 3 391.475 3.439 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826169998 1449200062 /nfs/dbraw/zinc/20/00/62/1449200062.db2.gz LNWSKQXMMCUGSQ-KXBFYZLASA-N -1 3 379.464 3.133 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826169998 1449200066 /nfs/dbraw/zinc/20/00/66/1449200066.db2.gz LNWSKQXMMCUGSQ-KXBFYZLASA-N -1 3 379.464 3.133 20 0 GGADHM COCc1cc([C@@H](C)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1OC ZINC000826164125 1449200626 /nfs/dbraw/zinc/20/06/26/1449200626.db2.gz BOYLULRDGVDNEJ-CQSZACIVSA-N -1 3 379.464 3.362 20 0 GGADHM COCc1cc([C@@H](C)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1OC ZINC000826164125 1449200631 /nfs/dbraw/zinc/20/06/31/1449200631.db2.gz BOYLULRDGVDNEJ-CQSZACIVSA-N -1 3 379.464 3.362 20 0 GGADHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826426559 1449214445 /nfs/dbraw/zinc/21/44/45/1449214445.db2.gz QBCPXXKDQQJBMI-GOSISDBHSA-N -1 3 396.882 3.087 20 0 GGADHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826426559 1449214448 /nfs/dbraw/zinc/21/44/48/1449214448.db2.gz QBCPXXKDQQJBMI-GOSISDBHSA-N -1 3 396.882 3.087 20 0 GGADHM c1ccc2c(c1)-c1ccccc1C2N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826514220 1449243827 /nfs/dbraw/zinc/24/38/27/1449243827.db2.gz KXUOEIHLQFUBDR-UHFFFAOYSA-N -1 3 395.470 3.154 20 0 GGADHM c1ccc2c(c1)-c1ccccc1C2N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826514220 1449243835 /nfs/dbraw/zinc/24/38/35/1449243835.db2.gz KXUOEIHLQFUBDR-UHFFFAOYSA-N -1 3 395.470 3.154 20 0 GGADHM C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)[C@@H]2CCCC[C@H]12 ZINC000736277873 1449303675 /nfs/dbraw/zinc/30/36/75/1449303675.db2.gz ZKMBYDRQMCRBQJ-SUYBPPKGSA-N -1 3 388.903 3.359 20 0 GGADHM CCOc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000736644445 1449317772 /nfs/dbraw/zinc/31/77/72/1449317772.db2.gz YTNDKUDIWCCLNE-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM CCOc1ccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000736644445 1449317781 /nfs/dbraw/zinc/31/77/81/1449317781.db2.gz YTNDKUDIWCCLNE-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824617326 1449369041 /nfs/dbraw/zinc/36/90/41/1449369041.db2.gz GQTFPQAXJQSVTA-HNNXBMFYSA-N -1 3 398.470 3.483 20 0 GGADHM C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824617326 1449369044 /nfs/dbraw/zinc/36/90/44/1449369044.db2.gz GQTFPQAXJQSVTA-HNNXBMFYSA-N -1 3 398.470 3.483 20 0 GGADHM Cc1ccc([C@H]2CCCCN2CCC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000737331603 1449415947 /nfs/dbraw/zinc/41/59/47/1449415947.db2.gz QAIMPWBIVDNOJZ-CQSZACIVSA-N -1 3 386.481 3.385 20 0 GGADHM Cc1ccc([C@H]2CCCCN2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000737331603 1449415948 /nfs/dbraw/zinc/41/59/48/1449415948.db2.gz QAIMPWBIVDNOJZ-CQSZACIVSA-N -1 3 386.481 3.385 20 0 GGADHM COCCOc1cc(C)ccc1CN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826161167 1449582323 /nfs/dbraw/zinc/58/23/23/1449582323.db2.gz WMCFQXPNPRGYRW-FQEVSTJZSA-N -1 3 393.491 3.368 20 0 GGADHM COCCOc1cc(C)ccc1CN[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826161167 1449582327 /nfs/dbraw/zinc/58/23/27/1449582327.db2.gz WMCFQXPNPRGYRW-FQEVSTJZSA-N -1 3 393.491 3.368 20 0 GGADHM CC(C)c1ccc([C@@H](C)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000824347824 1449700635 /nfs/dbraw/zinc/70/06/35/1449700635.db2.gz OXYRCQXVEIACSC-MRXNPFEDSA-N -1 3 377.496 3.268 20 0 GGADHM CC(C)c1ccc([C@@H](C)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000824347824 1449700641 /nfs/dbraw/zinc/70/06/41/1449700641.db2.gz OXYRCQXVEIACSC-MRXNPFEDSA-N -1 3 377.496 3.268 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194420 1449717525 /nfs/dbraw/zinc/71/75/25/1449717525.db2.gz WQRMMDASOOHVSC-JKSUJKDBSA-N -1 3 378.480 3.470 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194420 1449717528 /nfs/dbraw/zinc/71/75/28/1449717528.db2.gz WQRMMDASOOHVSC-JKSUJKDBSA-N -1 3 378.480 3.470 20 0 GGADHM CCOc1ccccc1[C@H](C)NCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825654055 1449722261 /nfs/dbraw/zinc/72/22/61/1449722261.db2.gz NLPIINVUSLHRKV-LBPRGKRZSA-N -1 3 386.481 3.006 20 0 GGADHM CCOc1ccccc1[C@H](C)NCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825654055 1449722262 /nfs/dbraw/zinc/72/22/62/1449722262.db2.gz NLPIINVUSLHRKV-LBPRGKRZSA-N -1 3 386.481 3.006 20 0 GGADHM C[C@@H](N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554547 1449882586 /nfs/dbraw/zinc/88/25/86/1449882586.db2.gz QHJMNWGTHNJYKJ-TZMCWYRMSA-N -1 3 383.475 3.165 20 0 GGADHM C[C@@H](N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554547 1449882589 /nfs/dbraw/zinc/88/25/89/1449882589.db2.gz QHJMNWGTHNJYKJ-TZMCWYRMSA-N -1 3 383.475 3.165 20 0 GGADHM c1ccc2ncc(CN3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)cc2c1 ZINC000826523857 1449888595 /nfs/dbraw/zinc/88/85/95/1449888595.db2.gz ADGIJNOXFKKKQY-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569030 1449903025 /nfs/dbraw/zinc/90/30/25/1449903025.db2.gz FYLLXUWGXBCJAK-HWPZZCPQSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824569030 1449903028 /nfs/dbraw/zinc/90/30/28/1449903028.db2.gz FYLLXUWGXBCJAK-HWPZZCPQSA-N -1 3 395.360 3.409 20 0 GGADHM COc1ccc(Oc2cc(CNCc3ccc(-c4nn[n-]n4)s3)ccn2)cc1 ZINC000821845608 1449937380 /nfs/dbraw/zinc/93/73/80/1449937380.db2.gz ILJPAWBUKOYVCQ-UHFFFAOYSA-N -1 3 394.460 3.414 20 0 GGADHM C[C@H](NCC(=O)NC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824553251 1449957225 /nfs/dbraw/zinc/95/72/25/1449957225.db2.gz APTSWOBVZYKTTK-AWEZNQCLSA-N -1 3 378.480 3.099 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825322928 1449963089 /nfs/dbraw/zinc/96/30/89/1449963089.db2.gz LVSSCYGXYGHFQD-KRWDZBQOSA-N -1 3 392.507 3.265 20 0 GGADHM C[C@@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824598506 1449964456 /nfs/dbraw/zinc/96/44/56/1449964456.db2.gz FHWYCPJATQHPLU-SNVBAGLBSA-N -1 3 396.348 3.149 20 0 GGADHM C[C@@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824598506 1449964460 /nfs/dbraw/zinc/96/44/60/1449964460.db2.gz FHWYCPJATQHPLU-SNVBAGLBSA-N -1 3 396.348 3.149 20 0 GGADHM O[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503177 1449981858 /nfs/dbraw/zinc/98/18/58/1449981858.db2.gz SEUJTQXPFIWBLZ-HOTGVXAUSA-N -1 3 395.360 3.323 20 0 GGADHM Cc1cc(C)cc([C@H](O)CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822196607 1450008058 /nfs/dbraw/zinc/00/80/58/1450008058.db2.gz PUXNLUNHODWASM-OAQYLSRUSA-N -1 3 393.491 3.060 20 0 GGADHM Cc1cc(C)cc([C@H](O)CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822196607 1450008063 /nfs/dbraw/zinc/00/80/63/1450008063.db2.gz PUXNLUNHODWASM-OAQYLSRUSA-N -1 3 393.491 3.060 20 0 GGADHM Cc1cccn2c(CN(Cc3ccc(-c4nn[n-]n4)cc3)CC(C)C)cnc12 ZINC000826307912 1450022100 /nfs/dbraw/zinc/02/21/00/1450022100.db2.gz BBHRGFUPIGWGAX-UHFFFAOYSA-N -1 3 375.480 3.481 20 0 GGADHM Cc1cccn2c(CN(Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)cnc12 ZINC000826307912 1450022102 /nfs/dbraw/zinc/02/21/02/1450022102.db2.gz BBHRGFUPIGWGAX-UHFFFAOYSA-N -1 3 375.480 3.481 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824555870 1450058852 /nfs/dbraw/zinc/05/88/52/1450058852.db2.gz YMTWYFNXTNXGSC-MGPUTAFESA-N -1 3 390.491 3.053 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824555870 1450058855 /nfs/dbraw/zinc/05/88/55/1450058855.db2.gz YMTWYFNXTNXGSC-MGPUTAFESA-N -1 3 390.491 3.053 20 0 GGADHM O[C@@H](CN1CCc2cc(-c3ccccc3)oc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682429 1450069003 /nfs/dbraw/zinc/06/90/03/1450069003.db2.gz PZXMDLSKSAVTRQ-IBGZPJMESA-N -1 3 387.443 3.218 20 0 GGADHM O[C@@H](CN1CCc2cc(-c3ccccc3)oc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682429 1450069010 /nfs/dbraw/zinc/06/90/10/1450069010.db2.gz PZXMDLSKSAVTRQ-IBGZPJMESA-N -1 3 387.443 3.218 20 0 GGADHM Brc1ccc2c(c1)CC[C@H]2NCc1ccc(-c2nnn[n-]2)s1 ZINC000819688670 1450081285 /nfs/dbraw/zinc/08/12/85/1450081285.db2.gz LXOWFEPGPRVVGH-CYBMUJFWSA-N -1 3 376.283 3.468 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826211980 1450096330 /nfs/dbraw/zinc/09/63/30/1450096330.db2.gz CHVJWIFSDRAYDZ-LJQANCHMSA-N -1 3 389.463 3.032 20 0 GGADHM OCCCN(Cc1ccc(-c2nn[n-]n2)o1)C(c1ccccc1)c1ccccc1 ZINC000826509760 1450158928 /nfs/dbraw/zinc/15/89/28/1450158928.db2.gz IUBPUAAETIUBLA-UHFFFAOYSA-N -1 3 389.459 3.434 20 0 GGADHM OCCCN(Cc1ccc(-c2nnn[n-]2)o1)C(c1ccccc1)c1ccccc1 ZINC000826509760 1450158931 /nfs/dbraw/zinc/15/89/31/1450158931.db2.gz IUBPUAAETIUBLA-UHFFFAOYSA-N -1 3 389.459 3.434 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000826276219 1450298153 /nfs/dbraw/zinc/29/81/53/1450298153.db2.gz XXDCRUSMFFQECE-KRWDZBQOSA-N -1 3 383.887 3.473 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000826276219 1450298156 /nfs/dbraw/zinc/29/81/56/1450298156.db2.gz XXDCRUSMFFQECE-KRWDZBQOSA-N -1 3 383.887 3.473 20 0 GGADHM CC1CCC(=CC(=O)N2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000736237920 1450303183 /nfs/dbraw/zinc/30/31/83/1450303183.db2.gz QNNQMJJBMJHPTG-UHFFFAOYSA-N -1 3 394.523 3.038 20 0 GGADHM CC1CCC(=CC(=O)N2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000736237920 1450303187 /nfs/dbraw/zinc/30/31/87/1450303187.db2.gz QNNQMJJBMJHPTG-UHFFFAOYSA-N -1 3 394.523 3.038 20 0 GGADHM C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547463 1450339140 /nfs/dbraw/zinc/33/91/40/1450339140.db2.gz OOXODIQPTFUAEQ-UGSOOPFHSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@H](N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547463 1450339144 /nfs/dbraw/zinc/33/91/44/1450339144.db2.gz OOXODIQPTFUAEQ-UGSOOPFHSA-N -1 3 396.882 3.366 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC000737243925 1450426576 /nfs/dbraw/zinc/42/65/76/1450426576.db2.gz CRLUBDOPQMHCDO-ZDUSSCGKSA-N -1 3 399.524 3.210 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC000737243925 1450426579 /nfs/dbraw/zinc/42/65/79/1450426579.db2.gz CRLUBDOPQMHCDO-ZDUSSCGKSA-N -1 3 399.524 3.210 20 0 GGADHM CN(CCNc1ccc2cc(-c3nn[n-]n3)ccc2n1)Cc1ccc(F)cc1 ZINC000825941714 1450441572 /nfs/dbraw/zinc/44/15/72/1450441572.db2.gz OBBYOISDSSDUGK-UHFFFAOYSA-N -1 3 377.427 3.098 20 0 GGADHM CN(CCNc1ccc2cc(-c3nnn[n-]3)ccc2n1)Cc1ccc(F)cc1 ZINC000825941714 1450441574 /nfs/dbraw/zinc/44/15/74/1450441574.db2.gz OBBYOISDSSDUGK-UHFFFAOYSA-N -1 3 377.427 3.098 20 0 GGADHM COCCN(CC=Cc1ccccc1OC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826157965 1450480992 /nfs/dbraw/zinc/48/09/92/1450480992.db2.gz UBSUGAPTVTZEKC-FNORWQNLSA-N -1 3 379.464 3.037 20 0 GGADHM CCC(CC)[C@@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825095131 1450483835 /nfs/dbraw/zinc/48/38/35/1450483835.db2.gz DMOYDWIKYVYCTC-OAQYLSRUSA-N -1 3 392.507 3.250 20 0 GGADHM CC(C)[C@@H](N[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736136011 1450500118 /nfs/dbraw/zinc/50/01/18/1450500118.db2.gz ZJEBWNSTDORDBK-FZKQIMNGSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@@H](N[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736136011 1450500121 /nfs/dbraw/zinc/50/01/21/1450500121.db2.gz ZJEBWNSTDORDBK-FZKQIMNGSA-N -1 3 382.443 3.320 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1CN1CCCC2(CCOCC2)C1 ZINC000823820162 1450514480 /nfs/dbraw/zinc/51/44/80/1450514480.db2.gz BDIXYVVGFPRTKZ-UHFFFAOYSA-N -1 3 392.301 3.022 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCCC2(CCOCC2)C1 ZINC000823820162 1450514483 /nfs/dbraw/zinc/51/44/83/1450514483.db2.gz BDIXYVVGFPRTKZ-UHFFFAOYSA-N -1 3 392.301 3.022 20 0 GGADHM CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]21 ZINC001164887056 721464589 /nfs/dbraw/zinc/46/45/89/721464589.db2.gz BOKXQOJPJHBNDW-GHMZBOCLSA-N -1 3 390.887 3.047 20 0 GGADHM CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001165008752 721725709 /nfs/dbraw/zinc/72/57/09/721725709.db2.gz PLVNZZLGPPUCDC-OAHLLOKOSA-N -1 3 390.887 3.191 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCc2ccccc21 ZINC000738483896 939058867 /nfs/dbraw/zinc/05/88/67/939058867.db2.gz TWRNQDZDWJMGCU-MBSDFSHPSA-N -1 3 396.462 3.080 20 0 GGADHM CC1CCN([C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)c2cccs2)CC1 ZINC000780346278 939108062 /nfs/dbraw/zinc/10/80/62/939108062.db2.gz ULMFJKOOSGWVSM-DNVCBOLYSA-N -1 3 379.526 3.074 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N(C)C)cc1 ZINC000780358295 939109365 /nfs/dbraw/zinc/10/93/65/939109365.db2.gz GLPJXYBVDXKMLQ-MOPGFXCFSA-N -1 3 375.513 3.184 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000780404007 939117163 /nfs/dbraw/zinc/11/71/63/939117163.db2.gz RMDCGQUUPXSZJN-SJORKVTESA-N -1 3 375.494 3.256 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000780404005 939117284 /nfs/dbraw/zinc/11/72/84/939117284.db2.gz RMDCGQUUPXSZJN-IAGOWNOFSA-N -1 3 375.494 3.256 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccsc1 ZINC000780404394 939117369 /nfs/dbraw/zinc/11/73/69/939117369.db2.gz XMTFTRPJPKQJDE-SJORKVTESA-N -1 3 381.542 3.464 20 0 GGADHM CCC1CCC(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)(C(=O)[O-])CC1 ZINC000390428438 939135494 /nfs/dbraw/zinc/13/54/94/939135494.db2.gz NQGRLLWYNHFUCO-BQJIDLTASA-N -1 3 375.513 3.230 20 0 GGADHM CC(=O)c1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000900320056 939273157 /nfs/dbraw/zinc/27/31/57/939273157.db2.gz RRJWHQZPHUTSNI-QFIPXVFZSA-N -1 3 395.459 3.130 20 0 GGADHM CCc1ccccc1NC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900322857 939273196 /nfs/dbraw/zinc/27/31/96/939273196.db2.gz PVARLOOYQVYICB-QFIPXVFZSA-N -1 3 381.476 3.490 20 0 GGADHM CCc1ccccc1NC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900322856 939273501 /nfs/dbraw/zinc/27/35/01/939273501.db2.gz PVARLOOYQVYICB-JOCHJYFZSA-N -1 3 381.476 3.490 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000902860915 939291026 /nfs/dbraw/zinc/29/10/26/939291026.db2.gz YRDFJFHSSADGND-LPHOPBHVSA-N -1 3 388.414 3.119 20 0 GGADHM Cc1cc(F)cc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908620797 939302853 /nfs/dbraw/zinc/30/28/53/939302853.db2.gz OJPDGCRNVIJMHZ-OAQYLSRUSA-N -1 3 385.439 3.375 20 0 GGADHM CN(C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000908739570 939306990 /nfs/dbraw/zinc/30/69/90/939306990.db2.gz FZFCBWSKWNITLP-IRXDYDNUSA-N -1 3 393.846 3.207 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCc2ccccc21 ZINC000908750160 939310770 /nfs/dbraw/zinc/31/07/70/939310770.db2.gz BICJJUQRKMMWNQ-NFBKMPQASA-N -1 3 393.487 3.049 20 0 GGADHM O=C([O-])[C@]1(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCc2ccccc21 ZINC000908750150 939310777 /nfs/dbraw/zinc/31/07/77/939310777.db2.gz AZHYNKIMJMVHEK-UWJYYQICSA-N -1 3 399.516 3.111 20 0 GGADHM C[C@H]1CC[C@@](NC(=O)NC[C@H](c2cccs2)N2CCCC2)(C(=O)[O-])CC1 ZINC000908750192 939311000 /nfs/dbraw/zinc/31/10/00/939311000.db2.gz BUYLGRHOEUHRGQ-SPYBWZPUSA-N -1 3 379.526 3.218 20 0 GGADHM C[C@@](NC(=O)NC[C@H](c1cccs1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908751120 939311411 /nfs/dbraw/zinc/31/14/11/939311411.db2.gz JYVSIHKEVOAFSW-UZLBHIALSA-N -1 3 387.505 3.184 20 0 GGADHM 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395.503 3.177 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)N(C)C)cc1 ZINC000908857471 939337127 /nfs/dbraw/zinc/33/71/27/939337127.db2.gz ABRKNVGGDGBPPY-PMACEKPBSA-N -1 3 383.492 3.340 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)N(C)C)cc1 ZINC000908857593 939337641 /nfs/dbraw/zinc/33/76/41/939337641.db2.gz CRDQFXNMNPMCLR-PMACEKPBSA-N -1 3 383.492 3.340 20 0 GGADHM CCC1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)(C(=O)[O-])CC1 ZINC000908860231 939339025 /nfs/dbraw/zinc/33/90/25/939339025.db2.gz YWLJNXIJBTVPMB-JGCRXCKMSA-N -1 3 375.513 3.321 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)N(C)C)cc1 ZINC000908859883 939339228 /nfs/dbraw/zinc/33/92/28/939339228.db2.gz UNCUUCFLUIJKIN-ROUUACIJSA-N -1 3 391.418 3.001 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908881151 939344111 /nfs/dbraw/zinc/34/41/11/939344111.db2.gz CTHGIBJRYUXMAX-CVAIRZPRSA-N -1 3 399.466 3.395 20 0 GGADHM 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C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](C(=O)[O-])C1CCCCCC1 ZINC000909070028 939376659 /nfs/dbraw/zinc/37/66/59/939376659.db2.gz PRCPWBPCVAEAME-NSISKUIASA-N -1 3 387.524 3.230 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[O-])ccc1F ZINC000909071434 939377302 /nfs/dbraw/zinc/37/73/02/939377302.db2.gz YDOXKBJOJZWBPN-XPGWFJOJSA-N -1 3 399.466 3.080 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000909093663 939379982 /nfs/dbraw/zinc/37/99/82/939379982.db2.gz BRQHWSNZFJZQII-SCWSEQNSSA-N -1 3 395.503 3.391 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000909095128 939380494 /nfs/dbraw/zinc/38/04/94/939380494.db2.gz RYGVBXUAIBAAFH-BPAFIMBUSA-N -1 3 399.466 3.222 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000909095937 939380915 /nfs/dbraw/zinc/38/09/15/939380915.db2.gz ZLRSYIYOCBQUSJ-QMMLZNLJSA-N -1 3 395.503 3.391 20 0 GGADHM CCCCCCN(C)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909324240 939393582 /nfs/dbraw/zinc/39/35/82/939393582.db2.gz YFQOTHXYPUQSQX-GOSISDBHSA-N -1 3 399.329 3.377 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])cc1 ZINC000909327901 939395396 /nfs/dbraw/zinc/39/53/96/939395396.db2.gz FVTBRMOUPXBPSQ-HXUWFJFHSA-N -1 3 382.460 3.237 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000738162038 945252591 /nfs/dbraw/zinc/25/25/91/945252591.db2.gz ILXQFUFCAWMBCR-UHFFFAOYSA-N -1 3 382.399 3.156 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000738162038 945252595 /nfs/dbraw/zinc/25/25/95/945252595.db2.gz ILXQFUFCAWMBCR-UHFFFAOYSA-N -1 3 382.399 3.156 20 0 GGADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cn2)CCCN1c1ccccc1Cl ZINC000738298816 945257940 /nfs/dbraw/zinc/25/79/40/945257940.db2.gz YQCORLPPOHUDCZ-AWEZNQCLSA-N -1 3 386.868 3.203 20 0 GGADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cn2)CCCN1c1ccccc1Cl ZINC000738298816 945257944 /nfs/dbraw/zinc/25/79/44/945257944.db2.gz YQCORLPPOHUDCZ-AWEZNQCLSA-N -1 3 386.868 3.203 20 0 GGADHM S=C(NCc1coc(-c2ccccc2)n1)Nc1ccccc1-c1nnn[n-]1 ZINC000738400560 945265114 /nfs/dbraw/zinc/26/51/14/945265114.db2.gz GLMJXBJAXZFXFD-UHFFFAOYSA-N -1 3 377.433 3.008 20 0 GGADHM S=C(NCc1coc(-c2ccccc2)n1)Nc1ccccc1-c1nn[n-]n1 ZINC000738400560 945265121 /nfs/dbraw/zinc/26/51/21/945265121.db2.gz GLMJXBJAXZFXFD-UHFFFAOYSA-N -1 3 377.433 3.008 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000909631813 939723780 /nfs/dbraw/zinc/72/37/80/939723780.db2.gz BXEABYUJWFCLPW-RHSMWYFYSA-N -1 3 376.453 3.041 20 0 GGADHM O=C([O-])[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccc2c(c1)CCO2 ZINC000909790740 939728699 /nfs/dbraw/zinc/72/86/99/939728699.db2.gz BXGZKKBSKPGJEN-NRFANRHFSA-N -1 3 394.471 3.163 20 0 GGADHM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])C1 ZINC000909915997 939744231 /nfs/dbraw/zinc/74/42/31/939744231.db2.gz ZBKIJUUMDRVFCV-SXLOBPIMSA-N -1 3 388.508 3.061 20 0 GGADHM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])C1 ZINC000909915996 939744268 /nfs/dbraw/zinc/74/42/68/939744268.db2.gz ZBKIJUUMDRVFCV-RLLQIKCJSA-N -1 3 388.508 3.061 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000910093407 939752026 /nfs/dbraw/zinc/75/20/26/939752026.db2.gz LRADPHBISBKIGC-MJGOQNOKSA-N -1 3 376.472 3.187 20 0 GGADHM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1CCCCCC1 ZINC000910938305 939761493 /nfs/dbraw/zinc/76/14/93/939761493.db2.gz WSHVVUPAOUVHIY-WFASDCNBSA-N -1 3 388.386 3.092 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CCCN(Cc2ccccc2)C1 ZINC001123379496 939823981 /nfs/dbraw/zinc/82/39/81/939823981.db2.gz XJYASJLKBZUAGA-KNQAVFIVSA-N -1 3 398.890 3.215 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CCCN(Cc2ccccc2)C1 ZINC001123379495 939824460 /nfs/dbraw/zinc/82/44/60/939824460.db2.gz XJYASJLKBZUAGA-DENIHFKCSA-N -1 3 398.890 3.215 20 0 GGADHM C[C@](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)(C(=O)[O-])c1ccccc1 ZINC000663140805 939857388 /nfs/dbraw/zinc/85/73/88/939857388.db2.gz HYGVENSOYHZODW-VGOFRKELSA-N -1 3 384.451 3.154 20 0 GGADHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819940232 945316529 /nfs/dbraw/zinc/31/65/29/945316529.db2.gz TZEYESJYUYSYAD-UHFFFAOYSA-N -1 3 394.863 3.010 20 0 GGADHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819940232 945316538 /nfs/dbraw/zinc/31/65/38/945316538.db2.gz TZEYESJYUYSYAD-UHFFFAOYSA-N -1 3 394.863 3.010 20 0 GGADHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000819959080 945317379 /nfs/dbraw/zinc/31/73/79/945317379.db2.gz XNPMIBHEFYVUTA-QHSLDKKCSA-N -1 3 391.475 3.027 20 0 GGADHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000819959080 945317388 /nfs/dbraw/zinc/31/73/88/945317388.db2.gz XNPMIBHEFYVUTA-QHSLDKKCSA-N -1 3 391.475 3.027 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC(Cc2ccccc2)C1 ZINC000820151494 945365322 /nfs/dbraw/zinc/36/53/22/945365322.db2.gz JFVJKJCIHHITIM-UHFFFAOYSA-N -1 3 392.463 3.360 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC(Cc2ccccc2)C1 ZINC000820151494 945365331 /nfs/dbraw/zinc/36/53/31/945365331.db2.gz JFVJKJCIHHITIM-UHFFFAOYSA-N -1 3 392.463 3.360 20 0 GGADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)NCCN1CCCCC1 ZINC000323927724 971059920 /nfs/dbraw/zinc/05/99/20/971059920.db2.gz OWFSFEPBWNKOGS-UHFFFAOYSA-N -1 3 384.274 3.063 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1Cl ZINC000537424685 944635873 /nfs/dbraw/zinc/63/58/73/944635873.db2.gz LBKZZOIHFRLSOJ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1Cl ZINC000537424685 944635879 /nfs/dbraw/zinc/63/58/79/944635879.db2.gz LBKZZOIHFRLSOJ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1nccnc1Sc1ccccc1 ZINC000542354928 944637122 /nfs/dbraw/zinc/63/71/22/944637122.db2.gz PSDKYASYQGAEQO-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1nccnc1Sc1ccccc1 ZINC000542354928 944637126 /nfs/dbraw/zinc/63/71/26/944637126.db2.gz PSDKYASYQGAEQO-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000732088503 944641900 /nfs/dbraw/zinc/64/19/00/944641900.db2.gz QWEUHYVIDXWMJB-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000732088503 944641906 /nfs/dbraw/zinc/64/19/06/944641906.db2.gz QWEUHYVIDXWMJB-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1nc2ccccc2o1 ZINC000735736219 944694810 /nfs/dbraw/zinc/69/48/10/944694810.db2.gz WXINUOVNRWKSKY-KRWDZBQOSA-N -1 3 392.419 3.074 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1nc2ccccc2o1 ZINC000735736219 944694818 /nfs/dbraw/zinc/69/48/18/944694818.db2.gz WXINUOVNRWKSKY-KRWDZBQOSA-N -1 3 392.419 3.074 20 0 GGADHM CC(C)[C@H](C)C(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735704107 944694827 /nfs/dbraw/zinc/69/48/27/944694827.db2.gz ZXLVXPMNLQOIIG-JTQLQIEISA-N -1 3 389.510 3.241 20 0 GGADHM CC(C)[C@H](C)C(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735704107 944694832 /nfs/dbraw/zinc/69/48/32/944694832.db2.gz ZXLVXPMNLQOIIG-JTQLQIEISA-N -1 3 389.510 3.241 20 0 GGADHM O=C([O-])c1ccccc1C1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC001611560193 971107022 /nfs/dbraw/zinc/10/70/22/971107022.db2.gz WDGFYYMMBPXTND-UHFFFAOYSA-N -1 3 387.505 3.058 20 0 GGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736374882 944813158 /nfs/dbraw/zinc/81/31/58/944813158.db2.gz GJZCWZXHFJFHDU-CYBMUJFWSA-N -1 3 375.498 3.483 20 0 GGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736374882 944813166 /nfs/dbraw/zinc/81/31/66/944813166.db2.gz GJZCWZXHFJFHDU-CYBMUJFWSA-N -1 3 375.498 3.483 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cnc(-c2ccncc2)s1 ZINC000736625377 944859404 /nfs/dbraw/zinc/85/94/04/944859404.db2.gz DALSWDUIWDAXGW-UHFFFAOYSA-N -1 3 394.416 3.003 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cnc(-c2ccncc2)s1 ZINC000736625377 944859410 /nfs/dbraw/zinc/85/94/10/944859410.db2.gz DALSWDUIWDAXGW-UHFFFAOYSA-N -1 3 394.416 3.003 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000736627837 944859645 /nfs/dbraw/zinc/85/96/45/944859645.db2.gz OJMICSYDVAOXHP-GXTWGEPZSA-N -1 3 386.358 3.253 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000736627837 944859652 /nfs/dbraw/zinc/85/96/52/944859652.db2.gz OJMICSYDVAOXHP-GXTWGEPZSA-N -1 3 386.358 3.253 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)ccc1N(C)C(C)C ZINC000737026550 944935210 /nfs/dbraw/zinc/93/52/10/944935210.db2.gz YNKJRLNNFNTHBN-UHFFFAOYSA-N -1 3 381.436 3.248 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)ccc1N(C)C(C)C ZINC000737026550 944935219 /nfs/dbraw/zinc/93/52/19/944935219.db2.gz YNKJRLNNFNTHBN-UHFFFAOYSA-N -1 3 381.436 3.248 20 0 GGADHM COc1c(Cl)cccc1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737025162 944935842 /nfs/dbraw/zinc/93/58/42/944935842.db2.gz MFRCZYQNLDCNKE-MRXNPFEDSA-N -1 3 398.854 3.136 20 0 GGADHM COc1ccc(C)c2c1N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737077774 944949318 /nfs/dbraw/zinc/94/93/18/944949318.db2.gz YGWXURLDLRYDKL-UHFFFAOYSA-N -1 3 377.448 3.096 20 0 GGADHM COc1ccc(C)c2c1N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737077774 944949321 /nfs/dbraw/zinc/94/93/21/944949321.db2.gz YGWXURLDLRYDKL-UHFFFAOYSA-N -1 3 377.448 3.096 20 0 GGADHM COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)c1 ZINC000737108784 944961398 /nfs/dbraw/zinc/96/13/98/944961398.db2.gz CKLJDULBLXGVLU-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)c1 ZINC000737108784 944961403 /nfs/dbraw/zinc/96/14/03/944961403.db2.gz CKLJDULBLXGVLU-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM COc1cccnc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737155895 944972155 /nfs/dbraw/zinc/97/21/55/944972155.db2.gz NFEQSBMKXWOHPP-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM CSCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737181806 944979096 /nfs/dbraw/zinc/97/90/96/944979096.db2.gz MACBPYULPKEKTL-CYBMUJFWSA-N -1 3 383.477 3.178 20 0 GGADHM CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820191983 945371059 /nfs/dbraw/zinc/37/10/59/945371059.db2.gz CSLDNPAQKXMDFI-UHFFFAOYSA-N -1 3 397.504 3.343 20 0 GGADHM CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820191983 945371067 /nfs/dbraw/zinc/37/10/67/945371067.db2.gz CSLDNPAQKXMDFI-UHFFFAOYSA-N -1 3 397.504 3.343 20 0 GGADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cccc(F)c1 ZINC000820225308 945389498 /nfs/dbraw/zinc/38/94/98/945389498.db2.gz GBSJJJJSAVYCJU-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1cccc(F)c1 ZINC000820225308 945389510 /nfs/dbraw/zinc/38/95/10/945389510.db2.gz GBSJJJJSAVYCJU-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820254714 945398030 /nfs/dbraw/zinc/39/80/30/945398030.db2.gz VNQMPXDKIUJWFW-CYBMUJFWSA-N -1 3 385.493 3.467 20 0 GGADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820254714 945398038 /nfs/dbraw/zinc/39/80/38/945398038.db2.gz VNQMPXDKIUJWFW-CYBMUJFWSA-N -1 3 385.493 3.467 20 0 GGADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820511739 945470343 /nfs/dbraw/zinc/47/03/43/945470343.db2.gz CCSPNZREEQDCPZ-JTQLQIEISA-N -1 3 396.794 3.488 20 0 GGADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820511739 945470351 /nfs/dbraw/zinc/47/03/51/945470351.db2.gz CCSPNZREEQDCPZ-JTQLQIEISA-N -1 3 396.794 3.488 20 0 GGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820570708 945486407 /nfs/dbraw/zinc/48/64/07/945486407.db2.gz PMAQJSYYGSHTDV-HNNXBMFYSA-N -1 3 395.511 3.031 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000820606744 945495845 /nfs/dbraw/zinc/49/58/45/945495845.db2.gz BSJVGYPGIRFZKU-UHFFFAOYSA-N -1 3 393.447 3.376 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000820606744 945495850 /nfs/dbraw/zinc/49/58/50/945495850.db2.gz BSJVGYPGIRFZKU-UHFFFAOYSA-N -1 3 393.447 3.376 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820678284 945521185 /nfs/dbraw/zinc/52/11/85/945521185.db2.gz UQNNGRXVNGJIBN-LRDDRELGSA-N -1 3 381.436 3.057 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820678284 945521188 /nfs/dbraw/zinc/52/11/88/945521188.db2.gz UQNNGRXVNGJIBN-LRDDRELGSA-N -1 3 381.436 3.057 20 0 GGADHM C[C@@H]1CCC[C@H](CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000820699380 945528482 /nfs/dbraw/zinc/52/84/82/945528482.db2.gz ZGYRQPBABBWAHJ-OLZOCXBDSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@@H]1CCC[C@H](CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000820699380 945528486 /nfs/dbraw/zinc/52/84/86/945528486.db2.gz ZGYRQPBABBWAHJ-OLZOCXBDSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820753015 945554358 /nfs/dbraw/zinc/55/43/58/945554358.db2.gz VIJHWXVLRGSCBZ-XIKOKIGWSA-N -1 3 382.855 3.152 20 0 GGADHM C[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820753015 945554367 /nfs/dbraw/zinc/55/43/67/945554367.db2.gz VIJHWXVLRGSCBZ-XIKOKIGWSA-N -1 3 382.855 3.152 20 0 GGADHM CC[C@@H](C)c1ccc(C(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820882708 945583750 /nfs/dbraw/zinc/58/37/50/945583750.db2.gz YBDDWVYQNFNIIY-CQSZACIVSA-N -1 3 378.432 3.349 20 0 GGADHM CC[C@@H](C)c1ccc(C(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820882708 945583753 /nfs/dbraw/zinc/58/37/53/945583753.db2.gz YBDDWVYQNFNIIY-CQSZACIVSA-N -1 3 378.432 3.349 20 0 GGADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820993967 945605754 /nfs/dbraw/zinc/60/57/54/945605754.db2.gz CYWZEPVKJIPHKW-KXBFYZLASA-N -1 3 397.504 3.071 20 0 GGADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820993967 945605762 /nfs/dbraw/zinc/60/57/62/945605762.db2.gz CYWZEPVKJIPHKW-KXBFYZLASA-N -1 3 397.504 3.071 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000821294875 945666104 /nfs/dbraw/zinc/66/61/04/945666104.db2.gz ZBAFYBBNPXFGHT-JKSUJKDBSA-N -1 3 378.436 3.049 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000821361500 945682028 /nfs/dbraw/zinc/68/20/28/945682028.db2.gz VMGSKGZFCHKVCY-ZTFGCOKTSA-N -1 3 398.511 3.307 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000821361500 945682034 /nfs/dbraw/zinc/68/20/34/945682034.db2.gz VMGSKGZFCHKVCY-ZTFGCOKTSA-N -1 3 398.511 3.307 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000821765545 945856078 /nfs/dbraw/zinc/85/60/78/945856078.db2.gz FKAHMXBDICXHBJ-UHFFFAOYSA-N -1 3 390.234 3.442 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000821765545 945856092 /nfs/dbraw/zinc/85/60/92/945856092.db2.gz FKAHMXBDICXHBJ-UHFFFAOYSA-N -1 3 390.234 3.442 20 0 GGADHM COc1ccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821828138 945873602 /nfs/dbraw/zinc/87/36/02/945873602.db2.gz QXBMTBLOLNDEKT-UHFFFAOYSA-N -1 3 389.868 3.284 20 0 GGADHM COc1ccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821828138 945873612 /nfs/dbraw/zinc/87/36/12/945873612.db2.gz QXBMTBLOLNDEKT-UHFFFAOYSA-N -1 3 389.868 3.284 20 0 GGADHM COc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821890911 945899516 /nfs/dbraw/zinc/89/95/16/945899516.db2.gz RGILLLUPSAGDDL-RHSMWYFYSA-N -1 3 392.463 3.135 20 0 GGADHM COc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821890911 945899521 /nfs/dbraw/zinc/89/95/21/945899521.db2.gz RGILLLUPSAGDDL-RHSMWYFYSA-N -1 3 392.463 3.135 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCn1cccc1 ZINC000822211559 945996431 /nfs/dbraw/zinc/99/64/31/945996431.db2.gz DWKKTWXXQMTLEE-UHFFFAOYSA-N -1 3 389.419 3.193 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000822216215 945998956 /nfs/dbraw/zinc/99/89/56/945998956.db2.gz IRPVDOUJOYEYLU-QGZVFWFLSA-N -1 3 396.495 3.075 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000822216215 945998962 /nfs/dbraw/zinc/99/89/62/945998962.db2.gz IRPVDOUJOYEYLU-QGZVFWFLSA-N -1 3 396.495 3.075 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000822230340 946011903 /nfs/dbraw/zinc/01/19/03/946011903.db2.gz DBSCFZFKQXMLAP-UHFFFAOYSA-N -1 3 397.382 3.019 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000822230340 946011910 /nfs/dbraw/zinc/01/19/10/946011910.db2.gz DBSCFZFKQXMLAP-UHFFFAOYSA-N -1 3 397.382 3.019 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(CCOc3ccccc3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000822232144 946013710 /nfs/dbraw/zinc/01/37/10/946013710.db2.gz VDEPOYHWWCDPKN-LAUBAEHRSA-N -1 3 393.491 3.324 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(CCOc3ccccc3-c3nn[n-]n3)[C@@H](C)CO2)c1 ZINC000822232144 946013716 /nfs/dbraw/zinc/01/37/16/946013716.db2.gz VDEPOYHWWCDPKN-LAUBAEHRSA-N -1 3 393.491 3.324 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)[C@@H](C)CO2)c1 ZINC000822231869 946014286 /nfs/dbraw/zinc/01/42/86/946014286.db2.gz KKMZDNIEAXCCMI-LAUBAEHRSA-N -1 3 393.491 3.324 20 0 GGADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822236453 946020232 /nfs/dbraw/zinc/02/02/32/946020232.db2.gz ZWPSBMKEUMOPPW-UHFFFAOYSA-N -1 3 389.381 3.422 20 0 GGADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822236453 946020241 /nfs/dbraw/zinc/02/02/41/946020241.db2.gz ZWPSBMKEUMOPPW-UHFFFAOYSA-N -1 3 389.381 3.422 20 0 GGADHM Cc1ccc2c(CCC(=O)OCCOc3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275231 946041798 /nfs/dbraw/zinc/04/17/98/946041798.db2.gz QLVAKNXHWRERIN-UHFFFAOYSA-N -1 3 391.431 3.211 20 0 GGADHM Cc1ccc2c(CCC(=O)OCCOc3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275231 946041810 /nfs/dbraw/zinc/04/18/10/946041810.db2.gz QLVAKNXHWRERIN-UHFFFAOYSA-N -1 3 391.431 3.211 20 0 GGADHM Cc1cccc(F)c1CNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000822303782 946047818 /nfs/dbraw/zinc/04/78/18/946047818.db2.gz JAHFBHVDWQAARK-SFHVURJKSA-N -1 3 383.427 3.034 20 0 GGADHM Cc1cccc(F)c1CNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000822303782 946047830 /nfs/dbraw/zinc/04/78/30/946047830.db2.gz JAHFBHVDWQAARK-SFHVURJKSA-N -1 3 383.427 3.034 20 0 GGADHM Cc1cccc(CC2CN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000822299670 946047976 /nfs/dbraw/zinc/04/79/76/946047976.db2.gz QMZWLCMTXDCJNT-UHFFFAOYSA-N -1 3 393.516 3.109 20 0 GGADHM Cc1cccc(CC2CN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000822299670 946047988 /nfs/dbraw/zinc/04/79/88/946047988.db2.gz QMZWLCMTXDCJNT-UHFFFAOYSA-N -1 3 393.516 3.109 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823009237 946263848 /nfs/dbraw/zinc/26/38/48/946263848.db2.gz AMIBIEQLFQGTLG-GOSISDBHSA-N -1 3 398.417 3.311 20 0 GGADHM O=C(CNc1ccccc1CCC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823013958 946267133 /nfs/dbraw/zinc/26/71/33/946267133.db2.gz DCNKUUCOMSMLFY-UHFFFAOYSA-N -1 3 390.369 3.412 20 0 GGADHM O=C(CNc1ccccc1CCC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823013958 946267142 /nfs/dbraw/zinc/26/71/42/946267142.db2.gz DCNKUUCOMSMLFY-UHFFFAOYSA-N -1 3 390.369 3.412 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCc2ccc(F)cc21 ZINC000823061032 946300195 /nfs/dbraw/zinc/30/01/95/946300195.db2.gz SOKSIIJIZZJXTM-QGZVFWFLSA-N -1 3 384.436 3.470 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2ccc(F)cc21 ZINC000823061032 946300206 /nfs/dbraw/zinc/30/02/06/946300206.db2.gz SOKSIIJIZZJXTM-QGZVFWFLSA-N -1 3 384.436 3.470 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000823104505 946312647 /nfs/dbraw/zinc/31/26/47/946312647.db2.gz YFLHCAGANYPOBX-UHFFFAOYSA-N -1 3 395.316 3.128 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000823104505 946312656 /nfs/dbraw/zinc/31/26/56/946312656.db2.gz YFLHCAGANYPOBX-UHFFFAOYSA-N -1 3 395.316 3.128 20 0 GGADHM O=C(OC[C@@H]1CCCO1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823396469 946423551 /nfs/dbraw/zinc/42/35/51/946423551.db2.gz JXIBFRODZRZPCO-AWEZNQCLSA-N -1 3 382.445 3.354 20 0 GGADHM O=C(OC[C@@H]1CCCO1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823396469 946423559 /nfs/dbraw/zinc/42/35/59/946423559.db2.gz JXIBFRODZRZPCO-AWEZNQCLSA-N -1 3 382.445 3.354 20 0 GGADHM O=C(OC[C@H]1CCOC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823400896 946425591 /nfs/dbraw/zinc/42/55/91/946425591.db2.gz LBDNJVFZJUPNKF-ZDUSSCGKSA-N -1 3 382.445 3.211 20 0 GGADHM O=C(OC[C@H]1CCOC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823400896 946425595 /nfs/dbraw/zinc/42/55/95/946425595.db2.gz LBDNJVFZJUPNKF-ZDUSSCGKSA-N -1 3 382.445 3.211 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823477860 946434384 /nfs/dbraw/zinc/43/43/84/946434384.db2.gz CZIXGQPJDUCLBZ-UHFFFAOYSA-N -1 3 382.427 3.076 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823477860 946434392 /nfs/dbraw/zinc/43/43/92/946434392.db2.gz CZIXGQPJDUCLBZ-UHFFFAOYSA-N -1 3 382.427 3.076 20 0 GGADHM Brc1ccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000823827127 946486666 /nfs/dbraw/zinc/48/66/66/946486666.db2.gz UYGVQGXNZIFEQS-UHFFFAOYSA-N -1 3 398.224 3.291 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823942708 946523676 /nfs/dbraw/zinc/52/36/76/946523676.db2.gz HJLRKXDSDUPZQI-ATGUSINASA-N -1 3 391.431 3.149 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823942708 946523683 /nfs/dbraw/zinc/52/36/83/946523683.db2.gz HJLRKXDSDUPZQI-ATGUSINASA-N -1 3 391.431 3.149 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823942762 946524378 /nfs/dbraw/zinc/52/43/78/946524378.db2.gz IWWJDCDLQBWIRI-VMTBQTDASA-N -1 3 389.459 3.179 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823942762 946524387 /nfs/dbraw/zinc/52/43/87/946524387.db2.gz IWWJDCDLQBWIRI-VMTBQTDASA-N -1 3 389.459 3.179 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000824014814 946549983 /nfs/dbraw/zinc/54/99/83/946549983.db2.gz LQBLIWRHDYYGNL-UHFFFAOYSA-N -1 3 389.459 3.477 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000824014814 946549994 /nfs/dbraw/zinc/54/99/94/946549994.db2.gz LQBLIWRHDYYGNL-UHFFFAOYSA-N -1 3 389.459 3.477 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC(OCCc3ccccc3)CC2)c1 ZINC000824014497 946550895 /nfs/dbraw/zinc/55/08/95/946550895.db2.gz JUDYJBVNFTVGIV-UHFFFAOYSA-N -1 3 391.475 3.297 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC(OCCc3ccccc3)CC2)c1 ZINC000824014497 946550908 /nfs/dbraw/zinc/55/09/08/946550908.db2.gz JUDYJBVNFTVGIV-UHFFFAOYSA-N -1 3 391.475 3.297 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000824014559 946551030 /nfs/dbraw/zinc/55/10/30/946551030.db2.gz KVBLZUDLCCBGIB-AWEZNQCLSA-N -1 3 380.427 3.147 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000824014559 946551049 /nfs/dbraw/zinc/55/10/49/946551049.db2.gz KVBLZUDLCCBGIB-AWEZNQCLSA-N -1 3 380.427 3.147 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCCn2c(C)nc3ccccc32)c1 ZINC000824015493 946555189 /nfs/dbraw/zinc/55/51/89/946555189.db2.gz WZYVHEQUNFRXMB-UHFFFAOYSA-N -1 3 375.436 3.230 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCCn2c(C)nc3ccccc32)c1 ZINC000824015493 946555201 /nfs/dbraw/zinc/55/52/01/946555201.db2.gz WZYVHEQUNFRXMB-UHFFFAOYSA-N -1 3 375.436 3.230 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCC=C(F)C1 ZINC000824051969 946570196 /nfs/dbraw/zinc/57/01/96/946570196.db2.gz JQCJMESWEFDABN-LLVKDONJSA-N -1 3 390.488 3.083 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CCC=C(F)C1 ZINC000824051969 946570208 /nfs/dbraw/zinc/57/02/08/946570208.db2.gz JQCJMESWEFDABN-LLVKDONJSA-N -1 3 390.488 3.083 20 0 GGADHM CC(C)(C)OC(=O)CCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824098862 946584624 /nfs/dbraw/zinc/58/46/24/946584624.db2.gz CHMOQBHADSZGIO-UHFFFAOYSA-N -1 3 382.262 3.163 20 0 GGADHM CC(C)(C)OC(=O)CCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824098862 946584627 /nfs/dbraw/zinc/58/46/27/946584627.db2.gz CHMOQBHADSZGIO-UHFFFAOYSA-N -1 3 382.262 3.163 20 0 GGADHM CC(C)(C)c1n[nH]cc1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824137153 946599893 /nfs/dbraw/zinc/59/98/93/946599893.db2.gz XVIXUVILLIYMBR-UHFFFAOYSA-N -1 3 397.874 3.339 20 0 GGADHM Brc1ccc(OCc2cnc3ccccc3n2)c(-c2nnn[n-]2)c1 ZINC001573278968 946628774 /nfs/dbraw/zinc/62/87/74/946628774.db2.gz ALPPHWRQATWOBU-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM Brc1ccc(OCc2cnc3ccccc3n2)c(-c2nn[n-]n2)c1 ZINC001573278968 946628784 /nfs/dbraw/zinc/62/87/84/946628784.db2.gz ALPPHWRQATWOBU-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1NCCN1CCCc2ccccc21 ZINC001573279115 946629759 /nfs/dbraw/zinc/62/97/59/946629759.db2.gz CQZQIKKOVYFWEV-UHFFFAOYSA-N -1 3 399.296 3.494 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1NCCN1CCCc2ccccc21 ZINC001573279115 946629768 /nfs/dbraw/zinc/62/97/68/946629768.db2.gz CQZQIKKOVYFWEV-UHFFFAOYSA-N -1 3 399.296 3.494 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)cc1CNc1cccc(-c2nc[nH]n2)c1 ZINC001573279178 946632635 /nfs/dbraw/zinc/63/26/35/946632635.db2.gz DUACDCHCZOCPGD-UHFFFAOYSA-N -1 3 397.240 3.026 20 0 GGADHM Brc1ccc(OCc2nc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC001573279275 946634725 /nfs/dbraw/zinc/63/47/25/946634725.db2.gz GKQFKJIQTMWQRL-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM Brc1ccc(OCc2nc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC001573279275 946634732 /nfs/dbraw/zinc/63/47/32/946634732.db2.gz GKQFKJIQTMWQRL-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM CC(C)COc1ncc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000824271463 946641797 /nfs/dbraw/zinc/64/17/97/946641797.db2.gz NYPDQOAGKJRERT-UHFFFAOYSA-N -1 3 386.843 3.227 20 0 GGADHM CC(C)COc1ncc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000824271463 946641807 /nfs/dbraw/zinc/64/18/07/946641807.db2.gz NYPDQOAGKJRERT-UHFFFAOYSA-N -1 3 386.843 3.227 20 0 GGADHM Brc1cnc(Sc2nc3cnccc3s2)c(-c2nnn[n-]2)c1 ZINC001573279503 946641996 /nfs/dbraw/zinc/64/19/96/946641996.db2.gz IKLHFYMINZGDAL-UHFFFAOYSA-N -1 3 392.267 3.180 20 0 GGADHM Brc1cnc(Sc2nc3cnccc3s2)c(-c2nn[n-]n2)c1 ZINC001573279503 946642000 /nfs/dbraw/zinc/64/20/00/946642000.db2.gz IKLHFYMINZGDAL-UHFFFAOYSA-N -1 3 392.267 3.180 20 0 GGADHM CC(C)COc1ncc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1Cl ZINC000824270361 946642020 /nfs/dbraw/zinc/64/20/20/946642020.db2.gz CWRXLIYPRBIVNO-UHFFFAOYSA-N -1 3 378.845 3.264 20 0 GGADHM CC(C)COc1ncc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1Cl ZINC000824270361 946642024 /nfs/dbraw/zinc/64/20/24/946642024.db2.gz CWRXLIYPRBIVNO-UHFFFAOYSA-N -1 3 378.845 3.264 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1NCCc1ccc2c(c1)CCO2 ZINC001573279649 946646737 /nfs/dbraw/zinc/64/67/37/946646737.db2.gz LRTSGVXGCJYEJW-UHFFFAOYSA-N -1 3 386.253 3.219 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1NCCc1ccc2c(c1)CCO2 ZINC001573279649 946646743 /nfs/dbraw/zinc/64/67/43/946646743.db2.gz LRTSGVXGCJYEJW-UHFFFAOYSA-N -1 3 386.253 3.219 20 0 GGADHM Brc1cc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC001573280158 946656337 /nfs/dbraw/zinc/65/63/37/946656337.db2.gz PYWAZYZIYQVNCU-UHFFFAOYSA-N -1 3 375.211 3.426 20 0 GGADHM Brc1cc(-c2nnn[n-]2)cnc1N1CCC=C(c2ccccc2)C1 ZINC001573280268 946656811 /nfs/dbraw/zinc/65/68/11/946656811.db2.gz RZDNKXMUXTVYEO-UHFFFAOYSA-N -1 3 383.253 3.318 20 0 GGADHM Brc1cc(-c2nn[n-]n2)cnc1N1CCC=C(c2ccccc2)C1 ZINC001573280268 946656817 /nfs/dbraw/zinc/65/68/17/946656817.db2.gz RZDNKXMUXTVYEO-UHFFFAOYSA-N -1 3 383.253 3.318 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824319056 946657019 /nfs/dbraw/zinc/65/70/19/946657019.db2.gz DMIDRPNMXRXMJU-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824319056 946657024 /nfs/dbraw/zinc/65/70/24/946657024.db2.gz DMIDRPNMXRXMJU-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM Brc1cc(CNc2nc3ncccc3cc2-c2nnn[n-]2)cs1 ZINC001573280168 946657210 /nfs/dbraw/zinc/65/72/10/946657210.db2.gz QAPXQOTYSMYCJO-UHFFFAOYSA-N -1 3 388.254 3.246 20 0 GGADHM Brc1cc(CNc2nc3ncccc3cc2-c2nn[n-]n2)cs1 ZINC001573280168 946657214 /nfs/dbraw/zinc/65/72/14/946657214.db2.gz QAPXQOTYSMYCJO-UHFFFAOYSA-N -1 3 388.254 3.246 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)cc1OCCc1noc2ccccc12 ZINC001573280230 946657228 /nfs/dbraw/zinc/65/72/28/946657228.db2.gz RFBJTZJBOXCHGV-UHFFFAOYSA-N -1 3 386.209 3.392 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)cc1OCCc1noc2ccccc12 ZINC001573280230 946657240 /nfs/dbraw/zinc/65/72/40/946657240.db2.gz RFBJTZJBOXCHGV-UHFFFAOYSA-N -1 3 386.209 3.392 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824319332 946657576 /nfs/dbraw/zinc/65/75/76/946657576.db2.gz MJJNRHABXRLQQY-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM CC(C)Oc1cc(F)ccc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824319332 946657580 /nfs/dbraw/zinc/65/75/80/946657580.db2.gz MJJNRHABXRLQQY-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM Brc1ccc(OCc2ccc3nccnc3c2)c(-c2nnn[n-]2)c1 ZINC001573280318 946658919 /nfs/dbraw/zinc/65/89/19/946658919.db2.gz SETLIIFQNRUHGP-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM Brc1ccc(OCc2ccc3nccnc3c2)c(-c2nn[n-]n2)c1 ZINC001573280318 946658921 /nfs/dbraw/zinc/65/89/21/946658921.db2.gz SETLIIFQNRUHGP-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ncc(Br)s1 ZINC000824324377 946659043 /nfs/dbraw/zinc/65/90/43/946659043.db2.gz MZLCGFOPFGXQPV-UHFFFAOYSA-N -1 3 395.286 3.485 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ncc(Br)s1 ZINC000824324377 946659051 /nfs/dbraw/zinc/65/90/51/946659051.db2.gz MZLCGFOPFGXQPV-UHFFFAOYSA-N -1 3 395.286 3.485 20 0 GGADHM Brc1cc(CSc2ccncc2-c2nnn[n-]2)cc2c1OCO2 ZINC001573281009 946669445 /nfs/dbraw/zinc/66/94/45/946669445.db2.gz XGSCTHXBQNDJSN-UHFFFAOYSA-N -1 3 392.238 3.045 20 0 GGADHM Brc1cc(CSc2ccncc2-c2nn[n-]n2)cc2c1OCO2 ZINC001573281009 946669451 /nfs/dbraw/zinc/66/94/51/946669451.db2.gz XGSCTHXBQNDJSN-UHFFFAOYSA-N -1 3 392.238 3.045 20 0 GGADHM CC(C)c1nnc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1C ZINC000824364352 946670431 /nfs/dbraw/zinc/67/04/31/946670431.db2.gz CBFFAZGIXBNJHV-UHFFFAOYSA-N -1 3 395.439 3.153 20 0 GGADHM CC(C)c1nnc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1C ZINC000824364352 946670438 /nfs/dbraw/zinc/67/04/38/946670438.db2.gz CBFFAZGIXBNJHV-UHFFFAOYSA-N -1 3 395.439 3.153 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC001573281105 946672460 /nfs/dbraw/zinc/67/24/60/946672460.db2.gz ZKSJIYBCHFWMMR-XHDPSFHLSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC001573281105 946672466 /nfs/dbraw/zinc/67/24/66/946672466.db2.gz ZKSJIYBCHFWMMR-XHDPSFHLSA-N -1 3 396.314 3.096 20 0 GGADHM C[C@@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000824384680 946674846 /nfs/dbraw/zinc/67/48/46/946674846.db2.gz FVWJIJOIGFYAPB-LBPRGKRZSA-N -1 3 399.838 3.196 20 0 GGADHM C[C@@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000824384680 946674852 /nfs/dbraw/zinc/67/48/52/946674852.db2.gz FVWJIJOIGFYAPB-LBPRGKRZSA-N -1 3 399.838 3.196 20 0 GGADHM C[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000824384676 946675116 /nfs/dbraw/zinc/67/51/16/946675116.db2.gz FVWJIJOIGFYAPB-GFCCVEGCSA-N -1 3 399.838 3.196 20 0 GGADHM C[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000824384676 946675124 /nfs/dbraw/zinc/67/51/24/946675124.db2.gz FVWJIJOIGFYAPB-GFCCVEGCSA-N -1 3 399.838 3.196 20 0 GGADHM C[C@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824385072 946675498 /nfs/dbraw/zinc/67/54/98/946675498.db2.gz LBNUCICNFZVSPW-CYBMUJFWSA-N -1 3 384.871 3.369 20 0 GGADHM C[C@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824385072 946675507 /nfs/dbraw/zinc/67/55/07/946675507.db2.gz LBNUCICNFZVSPW-CYBMUJFWSA-N -1 3 384.871 3.369 20 0 GGADHM C[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824472087 946725212 /nfs/dbraw/zinc/72/52/12/946725212.db2.gz VLFKNHYDEOOWKW-BJOHPYRUSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824472087 946725225 /nfs/dbraw/zinc/72/52/25/946725225.db2.gz VLFKNHYDEOOWKW-BJOHPYRUSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471457 946725277 /nfs/dbraw/zinc/72/52/77/946725277.db2.gz QPAXLIXZOFOYAE-HUUCEWRRSA-N -1 3 387.447 3.169 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471457 946725286 /nfs/dbraw/zinc/72/52/86/946725286.db2.gz QPAXLIXZOFOYAE-HUUCEWRRSA-N -1 3 387.447 3.169 20 0 GGADHM C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479901 946730070 /nfs/dbraw/zinc/73/00/70/946730070.db2.gz QXTPNVCSBRPHMG-KUHUBIRLSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479901 946730083 /nfs/dbraw/zinc/73/00/83/946730083.db2.gz QXTPNVCSBRPHMG-KUHUBIRLSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@H](NC(=O)N(C)[C@H]1CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824489985 946738493 /nfs/dbraw/zinc/73/84/93/946738493.db2.gz OIKUXTPTQZCTLQ-LIRRHRJNSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@H](NC(=O)N(C)[C@H]1CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824489985 946738499 /nfs/dbraw/zinc/73/84/99/946738499.db2.gz OIKUXTPTQZCTLQ-LIRRHRJNSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@@H](NC(=O)N[C@@]1(C)CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500205 946746691 /nfs/dbraw/zinc/74/66/91/946746691.db2.gz VAHYCVAMSQPPTH-SZNDQCEHSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@@H](NC(=O)N[C@@]1(C)CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500205 946746698 /nfs/dbraw/zinc/74/66/98/946746698.db2.gz VAHYCVAMSQPPTH-SZNDQCEHSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCC1 ZINC000824523124 946761215 /nfs/dbraw/zinc/76/12/15/946761215.db2.gz XVPJNBWBRIDCRQ-CQSZACIVSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCC1 ZINC000824523124 946761223 /nfs/dbraw/zinc/76/12/23/946761223.db2.gz XVPJNBWBRIDCRQ-CQSZACIVSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824540277 946781775 /nfs/dbraw/zinc/78/17/75/946781775.db2.gz VGDFNIAQCAJGNN-KPZWWZAWSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540277 946781784 /nfs/dbraw/zinc/78/17/84/946781784.db2.gz VGDFNIAQCAJGNN-KPZWWZAWSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@@H](NCc1c(Cl)n(C)nc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824605538 946856189 /nfs/dbraw/zinc/85/61/89/946856189.db2.gz JSZQOOJBSBMNCS-MRVPVSSYSA-N -1 3 385.781 3.123 20 0 GGADHM C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ncc(Br)s1 ZINC000824613192 946861633 /nfs/dbraw/zinc/86/16/33/946861633.db2.gz RQPKREJNLPZXMY-ZETCQYMHSA-N -1 3 383.250 3.076 20 0 GGADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ncc(Br)s1 ZINC000824613192 946861644 /nfs/dbraw/zinc/86/16/44/946861644.db2.gz RQPKREJNLPZXMY-ZETCQYMHSA-N -1 3 383.250 3.076 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001573550588 946866408 /nfs/dbraw/zinc/86/64/08/946866408.db2.gz CIBDJMFDBVPPBH-UHFFFAOYSA-N -1 3 377.738 3.253 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001573550588 946866413 /nfs/dbraw/zinc/86/64/13/946866413.db2.gz CIBDJMFDBVPPBH-UHFFFAOYSA-N -1 3 377.738 3.253 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001573551077 946869697 /nfs/dbraw/zinc/86/96/97/946869697.db2.gz GKBXKDWEYDRXPK-ZIAGYGMSSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001573551077 946869709 /nfs/dbraw/zinc/86/97/09/946869709.db2.gz GKBXKDWEYDRXPK-ZIAGYGMSSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001573551264 946872760 /nfs/dbraw/zinc/87/27/60/946872760.db2.gz HZDQSBGUURQFQB-AWEZNQCLSA-N -1 3 378.432 3.470 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001573551264 946872774 /nfs/dbraw/zinc/87/27/74/946872774.db2.gz HZDQSBGUURQFQB-AWEZNQCLSA-N -1 3 378.432 3.470 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001573551876 946873747 /nfs/dbraw/zinc/87/37/47/946873747.db2.gz LCKHXSNALDIHFM-UHFFFAOYSA-N -1 3 391.765 3.453 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001573551876 946873759 /nfs/dbraw/zinc/87/37/59/946873759.db2.gz LCKHXSNALDIHFM-UHFFFAOYSA-N -1 3 391.765 3.453 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC001573552290 946874422 /nfs/dbraw/zinc/87/44/22/946874422.db2.gz NIHUXPUCWUFGJY-UHFFFAOYSA-N -1 3 376.416 3.323 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC001573552290 946874434 /nfs/dbraw/zinc/87/44/34/946874434.db2.gz NIHUXPUCWUFGJY-UHFFFAOYSA-N -1 3 376.416 3.323 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC001573552458 946877472 /nfs/dbraw/zinc/87/74/72/946877472.db2.gz PJOKBNVSOATJQY-UHFFFAOYSA-N -1 3 388.387 3.285 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC001573552458 946877482 /nfs/dbraw/zinc/87/74/82/946877482.db2.gz PJOKBNVSOATJQY-UHFFFAOYSA-N -1 3 388.387 3.285 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC001573552576 946878976 /nfs/dbraw/zinc/87/89/76/946878976.db2.gz RMKFGBMRPSQHFC-UHFFFAOYSA-N -1 3 393.472 3.289 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC001573552576 946878988 /nfs/dbraw/zinc/87/89/88/946878988.db2.gz RMKFGBMRPSQHFC-UHFFFAOYSA-N -1 3 393.472 3.289 20 0 GGADHM CC(=O)c1cc(Br)ccc1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001573552941 946880401 /nfs/dbraw/zinc/88/04/01/946880401.db2.gz BXUCTPNMQQPZEI-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1cc(Br)ccc1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001573552941 946880414 /nfs/dbraw/zinc/88/04/14/946880414.db2.gz BXUCTPNMQQPZEI-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824654980 946885794 /nfs/dbraw/zinc/88/57/94/946885794.db2.gz ANOKVZAUVNJWLX-ZBEGNZNMSA-N -1 3 377.370 3.290 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824654980 946885801 /nfs/dbraw/zinc/88/58/01/946885801.db2.gz ANOKVZAUVNJWLX-ZBEGNZNMSA-N -1 3 377.370 3.290 20 0 GGADHM CC(C)n1nnnc1-c1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000824657502 946886294 /nfs/dbraw/zinc/88/62/94/946886294.db2.gz QQCVOUQMGZPVCB-GFCCVEGCSA-N -1 3 393.430 3.413 20 0 GGADHM CC(C)n1nnnc1-c1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824657502 946886307 /nfs/dbraw/zinc/88/63/07/946886307.db2.gz QQCVOUQMGZPVCB-GFCCVEGCSA-N -1 3 393.430 3.413 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCOc1cccc(C)c1 ZINC001573553460 946887095 /nfs/dbraw/zinc/88/70/95/946887095.db2.gz YIBUPMBHYSQUJZ-UHFFFAOYSA-N -1 3 379.420 3.175 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCOc1cccc(C)c1 ZINC001573553460 946887106 /nfs/dbraw/zinc/88/71/06/946887106.db2.gz YIBUPMBHYSQUJZ-UHFFFAOYSA-N -1 3 379.420 3.175 20 0 GGADHM CC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1C ZINC001573554087 946893430 /nfs/dbraw/zinc/89/34/30/946893430.db2.gz MEWHVILHFYAFAP-IBGZPJMESA-N -1 3 393.447 3.420 20 0 GGADHM CC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1C ZINC001573554087 946893440 /nfs/dbraw/zinc/89/34/40/946893440.db2.gz MEWHVILHFYAFAP-IBGZPJMESA-N -1 3 393.447 3.420 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC001573554117 946894068 /nfs/dbraw/zinc/89/40/68/946894068.db2.gz MRVJBASYCRQESG-UHFFFAOYSA-N -1 3 377.404 3.035 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC001573554117 946894085 /nfs/dbraw/zinc/89/40/85/946894085.db2.gz MRVJBASYCRQESG-UHFFFAOYSA-N -1 3 377.404 3.035 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cnc(-c2ccco2)s1 ZINC001573554188 946898253 /nfs/dbraw/zinc/89/82/53/946898253.db2.gz OFNVGKYRHSEKBQ-UHFFFAOYSA-N -1 3 380.389 3.038 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cnc(-c2ccco2)s1 ZINC001573554188 946898262 /nfs/dbraw/zinc/89/82/62/946898262.db2.gz OFNVGKYRHSEKBQ-UHFFFAOYSA-N -1 3 380.389 3.038 20 0 GGADHM CC(=O)c1ccc(OC(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)cc1Cl ZINC001573555595 946913606 /nfs/dbraw/zinc/91/36/06/946913606.db2.gz CBTINQBMTJULLG-UHFFFAOYSA-N -1 3 385.811 3.008 20 0 GGADHM CC(=O)c1ccc(OC(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)cc1Cl ZINC001573555595 946913611 /nfs/dbraw/zinc/91/36/11/946913611.db2.gz CBTINQBMTJULLG-UHFFFAOYSA-N -1 3 385.811 3.008 20 0 GGADHM CC(=O)c1ccc(OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1Cl ZINC001573555909 946918681 /nfs/dbraw/zinc/91/86/81/946918681.db2.gz HRAIOZWVWWJZMF-UHFFFAOYSA-N -1 3 382.807 3.360 20 0 GGADHM CC(=O)c1ccc(OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1Cl ZINC001573555909 946918684 /nfs/dbraw/zinc/91/86/84/946918684.db2.gz HRAIOZWVWWJZMF-UHFFFAOYSA-N -1 3 382.807 3.360 20 0 GGADHM CC(=O)c1ccc(C(F)(F)F)nc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001573555955 946919014 /nfs/dbraw/zinc/91/90/14/946919014.db2.gz JOUZOCLNWZSECC-UHFFFAOYSA-N -1 3 380.305 3.234 20 0 GGADHM CC(=O)c1ccc(C(F)(F)F)nc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001573555955 946919022 /nfs/dbraw/zinc/91/90/22/946919022.db2.gz JOUZOCLNWZSECC-UHFFFAOYSA-N -1 3 380.305 3.234 20 0 GGADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2Br)cc1 ZINC001573556321 946927465 /nfs/dbraw/zinc/92/74/65/946927465.db2.gz OUVKCJYVDBVPPK-UHFFFAOYSA-N -1 3 386.209 3.084 20 0 GGADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2Br)cc1 ZINC001573556321 946927470 /nfs/dbraw/zinc/92/74/70/946927470.db2.gz OUVKCJYVDBVPPK-UHFFFAOYSA-N -1 3 386.209 3.084 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)CCO1 ZINC000824867992 946962226 /nfs/dbraw/zinc/96/22/26/946962226.db2.gz RXIQQIFCPOSWIB-DGCLKSJQSA-N -1 3 395.488 3.447 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)CCO1 ZINC000824867992 946962234 /nfs/dbraw/zinc/96/22/34/946962234.db2.gz RXIQQIFCPOSWIB-DGCLKSJQSA-N -1 3 395.488 3.447 20 0 GGADHM C[C@@H]1C[C@H](CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824883278 946972740 /nfs/dbraw/zinc/97/27/40/946972740.db2.gz GAVFKRYJEAHCIR-GHMZBOCLSA-N -1 3 380.905 3.012 20 0 GGADHM C[C@@H]1C[C@H](CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824883278 946972748 /nfs/dbraw/zinc/97/27/48/946972748.db2.gz GAVFKRYJEAHCIR-GHMZBOCLSA-N -1 3 380.905 3.012 20 0 GGADHM C[C@H]1CC/C(=C\C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)C1 ZINC000824900247 946983812 /nfs/dbraw/zinc/98/38/12/946983812.db2.gz UCIOQFFGVGWEOX-UTEVDWOZSA-N -1 3 383.843 3.391 20 0 GGADHM C[C@H]1CC/C(=C\C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)C1 ZINC000824900247 946983818 /nfs/dbraw/zinc/98/38/18/946983818.db2.gz UCIOQFFGVGWEOX-UTEVDWOZSA-N -1 3 383.843 3.391 20 0 GGADHM CCC(CC)n1nc(C)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825113529 947081312 /nfs/dbraw/zinc/08/13/12/947081312.db2.gz ABGQOKLBYPKNKW-UHFFFAOYSA-N -1 3 384.440 3.098 20 0 GGADHM CCC(CC)n1nc(C)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825113529 947081319 /nfs/dbraw/zinc/08/13/19/947081319.db2.gz ABGQOKLBYPKNKW-UHFFFAOYSA-N -1 3 384.440 3.098 20 0 GGADHM C=CC(=O)Nc1ccc(C(=O)N(c2cccc(-c3nnn[n-]3)c2)C2CCC2)cc1 ZINC001573299611 947097473 /nfs/dbraw/zinc/09/74/73/947097473.db2.gz GGJMSZBLHOCGQC-UHFFFAOYSA-N -1 3 388.431 3.191 20 0 GGADHM C=CC(=O)Nc1ccc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)cc1 ZINC001573299611 947097487 /nfs/dbraw/zinc/09/74/87/947097487.db2.gz GGJMSZBLHOCGQC-UHFFFAOYSA-N -1 3 388.431 3.191 20 0 GGADHM CC[C@@H]1C[C@@H](CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CCO1 ZINC000825183733 947109508 /nfs/dbraw/zinc/10/95/08/947109508.db2.gz PMFYJJOZFVHIDO-GXTWGEPZSA-N -1 3 387.875 3.323 20 0 GGADHM CCC[C@@H](C(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1)C(C)C ZINC000825225533 947126463 /nfs/dbraw/zinc/12/64/63/947126463.db2.gz VFNSRGCHJPAVEH-LLVKDONJSA-N -1 3 379.486 3.424 20 0 GGADHM CCC[C@@H](C(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1)C(C)C ZINC000825225533 947126471 /nfs/dbraw/zinc/12/64/71/947126471.db2.gz VFNSRGCHJPAVEH-LLVKDONJSA-N -1 3 379.486 3.424 20 0 GGADHM CCC[C@@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825233247 947128378 /nfs/dbraw/zinc/12/83/78/947128378.db2.gz ORNHQHRLAZJSRK-LLVKDONJSA-N -1 3 388.863 3.358 20 0 GGADHM CCC[C@@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825233247 947128388 /nfs/dbraw/zinc/12/83/88/947128388.db2.gz ORNHQHRLAZJSRK-LLVKDONJSA-N -1 3 388.863 3.358 20 0 GGADHM CCCOc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1OCC ZINC000825339282 947159022 /nfs/dbraw/zinc/15/90/22/947159022.db2.gz VLGSPEOLLTXPHY-UHFFFAOYSA-N -1 3 393.447 3.257 20 0 GGADHM CCCOc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1OCC ZINC000825339282 947159027 /nfs/dbraw/zinc/15/90/27/947159027.db2.gz VLGSPEOLLTXPHY-UHFFFAOYSA-N -1 3 393.447 3.257 20 0 GGADHM CCN(C(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376679 947168652 /nfs/dbraw/zinc/16/86/52/947168652.db2.gz LAVMBDUORDOYMK-UHFFFAOYSA-N -1 3 391.410 3.073 20 0 GGADHM CCN(C(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376679 947168659 /nfs/dbraw/zinc/16/86/59/947168659.db2.gz LAVMBDUORDOYMK-UHFFFAOYSA-N -1 3 391.410 3.073 20 0 GGADHM CCN(CC)C(=O)CCC1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000825399041 947174180 /nfs/dbraw/zinc/17/41/80/947174180.db2.gz HBMADFSDOLRIKO-UHFFFAOYSA-N -1 3 392.454 3.010 20 0 GGADHM CCN(CC)C(=O)CCC1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000825399041 947174187 /nfs/dbraw/zinc/17/41/87/947174187.db2.gz HBMADFSDOLRIKO-UHFFFAOYSA-N -1 3 392.454 3.010 20 0 GGADHM CCNc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825481013 947201043 /nfs/dbraw/zinc/20/10/43/947201043.db2.gz QTPJRHFKHVZXIG-NSHDSACASA-N -1 3 386.843 3.358 20 0 GGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825499969 947208838 /nfs/dbraw/zinc/20/88/38/947208838.db2.gz ZCUULTDWYISCSG-WDZFZDKYSA-N -1 3 379.420 3.064 20 0 GGADHM CCOC(=O)C=Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825499969 947208847 /nfs/dbraw/zinc/20/88/47/947208847.db2.gz ZCUULTDWYISCSG-WDZFZDKYSA-N -1 3 379.420 3.064 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000825577302 947239626 /nfs/dbraw/zinc/23/96/26/947239626.db2.gz VGZJZZFBUVNCKI-SNVBAGLBSA-N -1 3 385.449 3.156 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000825577302 947239634 /nfs/dbraw/zinc/23/96/34/947239634.db2.gz VGZJZZFBUVNCKI-SNVBAGLBSA-N -1 3 385.449 3.156 20 0 GGADHM CCO[C@@H](CC)C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825576862 947240580 /nfs/dbraw/zinc/24/05/80/947240580.db2.gz PASCEFGNWPWNFE-HTWSVDAQSA-N -1 3 387.484 3.257 20 0 GGADHM CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825582596 947246003 /nfs/dbraw/zinc/24/60/03/947246003.db2.gz LUTSFQYPUGTRNB-MJXNMMHHSA-N -1 3 377.448 3.136 20 0 GGADHM CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825582596 947246011 /nfs/dbraw/zinc/24/60/11/947246011.db2.gz LUTSFQYPUGTRNB-MJXNMMHHSA-N -1 3 377.448 3.136 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000825627300 947265147 /nfs/dbraw/zinc/26/51/47/947265147.db2.gz WVDDUOJCEAJOPP-CYBMUJFWSA-N -1 3 396.451 3.103 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000825627300 947265162 /nfs/dbraw/zinc/26/51/62/947265162.db2.gz WVDDUOJCEAJOPP-CYBMUJFWSA-N -1 3 396.451 3.103 20 0 GGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000825649633 947276408 /nfs/dbraw/zinc/27/64/08/947276408.db2.gz STPMYSOKVRYXAL-YOEHRIQHSA-N -1 3 382.399 3.082 20 0 GGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000825649633 947276420 /nfs/dbraw/zinc/27/64/20/947276420.db2.gz STPMYSOKVRYXAL-YOEHRIQHSA-N -1 3 382.399 3.082 20 0 GGADHM CCSc1ccccc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825674357 947286501 /nfs/dbraw/zinc/28/65/01/947286501.db2.gz KHXLVDJEJHXROS-QGZVFWFLSA-N -1 3 395.488 3.192 20 0 GGADHM CCSc1ccccc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825674357 947286510 /nfs/dbraw/zinc/28/65/10/947286510.db2.gz KHXLVDJEJHXROS-QGZVFWFLSA-N -1 3 395.488 3.192 20 0 GGADHM CCc1cnccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825740365 947314013 /nfs/dbraw/zinc/31/40/13/947314013.db2.gz SVAYJOFDRZHEDN-UHFFFAOYSA-N -1 3 391.357 3.165 20 0 GGADHM CCc1cnccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825740365 947314031 /nfs/dbraw/zinc/31/40/31/947314031.db2.gz SVAYJOFDRZHEDN-UHFFFAOYSA-N -1 3 391.357 3.165 20 0 GGADHM CCc1nc(CN(C)c2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000825746160 947318193 /nfs/dbraw/zinc/31/81/93/947318193.db2.gz SJOBJELQXGGWJR-UHFFFAOYSA-N -1 3 379.287 3.285 20 0 GGADHM CCc1nc(CN(C)c2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000825746160 947318205 /nfs/dbraw/zinc/31/82/05/947318205.db2.gz SJOBJELQXGGWJR-UHFFFAOYSA-N -1 3 379.287 3.285 20 0 GGADHM CCc1oc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1C ZINC000825777267 947326827 /nfs/dbraw/zinc/32/68/27/947326827.db2.gz RNGWLHVJMNSFJR-UHFFFAOYSA-N -1 3 397.826 3.422 20 0 GGADHM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000825909315 947369101 /nfs/dbraw/zinc/36/91/01/947369101.db2.gz WGGUMFPOOYTWEP-HNNXBMFYSA-N -1 3 393.447 3.467 20 0 GGADHM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000825909315 947369114 /nfs/dbraw/zinc/36/91/14/947369114.db2.gz WGGUMFPOOYTWEP-HNNXBMFYSA-N -1 3 393.447 3.467 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000825971554 947390074 /nfs/dbraw/zinc/39/00/74/947390074.db2.gz LIMDQLAWEKTZHS-UHFFFAOYSA-N -1 3 392.448 3.049 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000825971554 947390088 /nfs/dbraw/zinc/39/00/88/947390088.db2.gz LIMDQLAWEKTZHS-UHFFFAOYSA-N -1 3 392.448 3.049 20 0 GGADHM COC(=O)[C@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117201 947438056 /nfs/dbraw/zinc/43/80/56/947438056.db2.gz JCWBEFKAOQLPFB-QIXNEVBVSA-N -1 3 392.415 3.036 20 0 GGADHM COC(=O)[C@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117201 947438064 /nfs/dbraw/zinc/43/80/64/947438064.db2.gz JCWBEFKAOQLPFB-QIXNEVBVSA-N -1 3 392.415 3.036 20 0 GGADHM C[C@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccc(C(F)(F)F)cc1 ZINC001573603898 947499887 /nfs/dbraw/zinc/49/98/87/947499887.db2.gz LKGFQNAALTVUMB-JTQLQIEISA-N -1 3 376.342 3.047 20 0 GGADHM C[C@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccc(C(F)(F)F)cc1 ZINC001573603898 947499890 /nfs/dbraw/zinc/49/98/90/947499890.db2.gz LKGFQNAALTVUMB-JTQLQIEISA-N -1 3 376.342 3.047 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccccc1C ZINC000826162289 947508477 /nfs/dbraw/zinc/50/84/77/947508477.db2.gz VYWBDJGLWJDTPI-UHFFFAOYSA-N -1 3 384.465 3.009 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccccc1C ZINC000826162289 947508486 /nfs/dbraw/zinc/50/84/86/947508486.db2.gz VYWBDJGLWJDTPI-UHFFFAOYSA-N -1 3 384.465 3.009 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(C)cc1 ZINC000826162104 947510016 /nfs/dbraw/zinc/51/00/16/947510016.db2.gz NLLPSHRRWBGRMC-UHFFFAOYSA-N -1 3 384.465 3.009 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(C)cc1 ZINC000826162104 947510026 /nfs/dbraw/zinc/51/00/26/947510026.db2.gz NLLPSHRRWBGRMC-UHFFFAOYSA-N -1 3 384.465 3.009 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCOc1ccc(Cl)cc1 ZINC000826171193 947534121 /nfs/dbraw/zinc/53/41/21/947534121.db2.gz GSCNOGJWRKQFAA-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCOc1ccc(Cl)cc1 ZINC000826171193 947534129 /nfs/dbraw/zinc/53/41/29/947534129.db2.gz GSCNOGJWRKQFAA-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826171465 947536996 /nfs/dbraw/zinc/53/69/96/947536996.db2.gz OIWIJNOVSNMRLQ-AAEUAGOBSA-N -1 3 384.358 3.287 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826171465 947537005 /nfs/dbraw/zinc/53/70/05/947537005.db2.gz OIWIJNOVSNMRLQ-AAEUAGOBSA-N -1 3 384.358 3.287 20 0 GGADHM C[C@@H](C(=O)N1CC(=O)Nc2ccc(-c3nnn[n-]3)cc21)c1ccc2ccccc2c1 ZINC001573607333 947544566 /nfs/dbraw/zinc/54/45/66/947544566.db2.gz KEDGUMLTWFUFOJ-CYBMUJFWSA-N -1 3 398.426 3.109 20 0 GGADHM C[C@@H](C(=O)N1CC(=O)Nc2ccc(-c3nn[n-]n3)cc21)c1ccc2ccccc2c1 ZINC001573607333 947544574 /nfs/dbraw/zinc/54/45/74/947544574.db2.gz KEDGUMLTWFUFOJ-CYBMUJFWSA-N -1 3 398.426 3.109 20 0 GGADHM COc1ccc(C)cc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826190157 947581958 /nfs/dbraw/zinc/58/19/58/947581958.db2.gz RLCIJNFKLWSNQF-UHFFFAOYSA-N -1 3 375.436 3.196 20 0 GGADHM COc1ccc(C)cc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826190157 947581968 /nfs/dbraw/zinc/58/19/68/947581968.db2.gz RLCIJNFKLWSNQF-UHFFFAOYSA-N -1 3 375.436 3.196 20 0 GGADHM COc1ccc(CCN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826192449 947587837 /nfs/dbraw/zinc/58/78/37/947587837.db2.gz OBZBZZBSMYHYEN-INIZCTEOSA-N -1 3 377.370 3.311 20 0 GGADHM COc1ccc(CCN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826192449 947587848 /nfs/dbraw/zinc/58/78/48/947587848.db2.gz OBZBZZBSMYHYEN-INIZCTEOSA-N -1 3 377.370 3.311 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826198669 947595264 /nfs/dbraw/zinc/59/52/64/947595264.db2.gz FPHMUWPNDQRIPB-SFHVURJKSA-N -1 3 392.463 3.142 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826198669 947595278 /nfs/dbraw/zinc/59/52/78/947595278.db2.gz FPHMUWPNDQRIPB-SFHVURJKSA-N -1 3 392.463 3.142 20 0 GGADHM COc1ccc(CNc2cc(C)n(-c3ccc(C)cc3)n2)cc1-c1nnn[n-]1 ZINC000826203472 947602281 /nfs/dbraw/zinc/60/22/81/947602281.db2.gz PSRYDGLRUPEFIV-UHFFFAOYSA-N -1 3 375.436 3.290 20 0 GGADHM COc1ccc(CNc2cc(C)n(-c3ccc(C)cc3)n2)cc1-c1nn[n-]n1 ZINC000826203472 947602289 /nfs/dbraw/zinc/60/22/89/947602289.db2.gz PSRYDGLRUPEFIV-UHFFFAOYSA-N -1 3 375.436 3.290 20 0 GGADHM COc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1O ZINC000826203841 947602965 /nfs/dbraw/zinc/60/29/65/947602965.db2.gz ISQPZMUXRRIHLY-UHFFFAOYSA-N -1 3 397.826 3.032 20 0 GGADHM COc1ccc(CNc2nnc(C[C@@H](C)CC(C)(C)C)o2)cc1-c1nnn[n-]1 ZINC000826204777 947605941 /nfs/dbraw/zinc/60/59/41/947605941.db2.gz ZJCHWKRTJCNPAI-GFCCVEGCSA-N -1 3 385.472 3.485 20 0 GGADHM COc1ccc(CNc2nnc(C[C@@H](C)CC(C)(C)C)o2)cc1-c1nn[n-]n1 ZINC000826204777 947605954 /nfs/dbraw/zinc/60/59/54/947605954.db2.gz ZJCHWKRTJCNPAI-GFCCVEGCSA-N -1 3 385.472 3.485 20 0 GGADHM COc1ccc(COC(=O)c2cc(C)n(C3CCCCC3)n2)cc1-c1nnn[n-]1 ZINC000826205900 947607893 /nfs/dbraw/zinc/60/78/93/947607893.db2.gz SQYNAXYMCQSPQO-UHFFFAOYSA-N -1 3 396.451 3.242 20 0 GGADHM COc1ccc(COC(=O)c2cc(C)n(C3CCCCC3)n2)cc1-c1nn[n-]n1 ZINC000826205900 947607898 /nfs/dbraw/zinc/60/78/98/947607898.db2.gz SQYNAXYMCQSPQO-UHFFFAOYSA-N -1 3 396.451 3.242 20 0 GGADHM COc1ccc(SC)c(OC)c1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826211470 947618079 /nfs/dbraw/zinc/61/80/79/947618079.db2.gz FTLCTVYXHMWDQR-NSHDSACASA-N -1 3 399.476 3.097 20 0 GGADHM COc1ccc(SC)c(OC)c1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826211470 947618082 /nfs/dbraw/zinc/61/80/82/947618082.db2.gz FTLCTVYXHMWDQR-NSHDSACASA-N -1 3 399.476 3.097 20 0 GGADHM COc1cccc(C2=CCN(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000826215353 947629063 /nfs/dbraw/zinc/62/90/63/947629063.db2.gz MQOSONVJLLYBEM-UHFFFAOYSA-N -1 3 396.838 3.460 20 0 GGADHM COc1cccc(C2=CCN(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000826215353 947629069 /nfs/dbraw/zinc/62/90/69/947629069.db2.gz MQOSONVJLLYBEM-UHFFFAOYSA-N -1 3 396.838 3.460 20 0 GGADHM COc1cccc([C@@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)c1 ZINC000826215212 947629373 /nfs/dbraw/zinc/62/93/73/947629373.db2.gz JMHUJWNMCQTBKA-IBGZPJMESA-N -1 3 388.431 3.001 20 0 GGADHM COc1cccc([C@@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)c1 ZINC000826215212 947629380 /nfs/dbraw/zinc/62/93/80/947629380.db2.gz JMHUJWNMCQTBKA-IBGZPJMESA-N -1 3 388.431 3.001 20 0 GGADHM COc1cccc(C[C@H](OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2ccccc2)c1 ZINC000826216042 947634782 /nfs/dbraw/zinc/63/47/82/947634782.db2.gz ICPVXGYNMJDVQU-IBGZPJMESA-N -1 3 389.415 3.344 20 0 GGADHM COc1cccc(C[C@H](OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2ccccc2)c1 ZINC000826216042 947634791 /nfs/dbraw/zinc/63/47/91/947634791.db2.gz ICPVXGYNMJDVQU-IBGZPJMESA-N -1 3 389.415 3.344 20 0 GGADHM COc1cccc(Oc2ncccc2CNc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826217599 947640112 /nfs/dbraw/zinc/64/01/12/947640112.db2.gz UMVCPWPCMKVZJN-UHFFFAOYSA-N -1 3 389.419 3.378 20 0 GGADHM COc1cccc(Oc2ncccc2CNc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826217599 947640121 /nfs/dbraw/zinc/64/01/21/947640121.db2.gz UMVCPWPCMKVZJN-UHFFFAOYSA-N -1 3 389.419 3.378 20 0 GGADHM C/C(=C(/F)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C1CC1 ZINC001573358213 947659207 /nfs/dbraw/zinc/65/92/07/947659207.db2.gz IADLHDBEKZHCSC-DHDCSXOGSA-N -1 3 387.806 3.298 20 0 GGADHM C/C(=C(/F)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C1CC1 ZINC001573358213 947659212 /nfs/dbraw/zinc/65/92/12/947659212.db2.gz IADLHDBEKZHCSC-DHDCSXOGSA-N -1 3 387.806 3.298 20 0 GGADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1)c1ccccc1OC(F)F ZINC001573361499 947689797 /nfs/dbraw/zinc/68/97/97/947689797.db2.gz ACSATFMVOIUAFN-YFHOEESVSA-N -1 3 386.362 3.214 20 0 GGADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1)c1ccccc1OC(F)F ZINC001573361499 947689800 /nfs/dbraw/zinc/68/98/00/947689800.db2.gz ACSATFMVOIUAFN-YFHOEESVSA-N -1 3 386.362 3.214 20 0 GGADHM CC(=CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccs1 ZINC001573362314 947700554 /nfs/dbraw/zinc/70/05/54/947700554.db2.gz JMILMLVOQBQSJW-KHPPLWFESA-N -1 3 395.423 3.295 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@@H](O)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826238801 947706320 /nfs/dbraw/zinc/70/63/20/947706320.db2.gz PORCRYHRAXNMFN-YMTOWFKASA-N -1 3 376.823 3.287 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)C[C@@H](O)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826238801 947706329 /nfs/dbraw/zinc/70/63/29/947706329.db2.gz PORCRYHRAXNMFN-YMTOWFKASA-N -1 3 376.823 3.287 20 0 GGADHM Cc1c(Cl)cnc(N[C@@H]2CCOC3(CCSCC3)C2)c1-c1nnn[n-]1 ZINC000826239931 947709860 /nfs/dbraw/zinc/70/98/60/947709860.db2.gz VQFIRWXXXUUGAH-LLVKDONJSA-N -1 3 380.905 3.080 20 0 GGADHM Cc1c(Cl)cnc(N[C@@H]2CCOC3(CCSCC3)C2)c1-c1nn[n-]n1 ZINC000826239931 947709872 /nfs/dbraw/zinc/70/98/72/947709872.db2.gz VQFIRWXXXUUGAH-LLVKDONJSA-N -1 3 380.905 3.080 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000826244121 947723045 /nfs/dbraw/zinc/72/30/45/947723045.db2.gz HUBLVZRFRHICCM-OAHLLOKOSA-N -1 3 379.489 3.430 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000826244121 947723052 /nfs/dbraw/zinc/72/30/52/947723052.db2.gz HUBLVZRFRHICCM-OAHLLOKOSA-N -1 3 379.489 3.430 20 0 GGADHM CC(=CC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1C ZINC001573364919 947725339 /nfs/dbraw/zinc/72/53/39/947725339.db2.gz RVHDVDUEMSQHDB-SSZFMOIBSA-N -1 3 388.475 3.380 20 0 GGADHM CC(=CC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccc1C ZINC001573364919 947725346 /nfs/dbraw/zinc/72/53/46/947725346.db2.gz RVHDVDUEMSQHDB-SSZFMOIBSA-N -1 3 388.475 3.380 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000826250533 947727574 /nfs/dbraw/zinc/72/75/74/947727574.db2.gz FZUJXKGXLLDBIT-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000826250533 947727589 /nfs/dbraw/zinc/72/75/89/947727589.db2.gz FZUJXKGXLLDBIT-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001573365593 947731716 /nfs/dbraw/zinc/73/17/16/947731716.db2.gz MQHLFXDSBUSTRP-YFHOEESVSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001573365593 947731723 /nfs/dbraw/zinc/73/17/23/947731723.db2.gz MQHLFXDSBUSTRP-YFHOEESVSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(Cl)c1 ZINC001573365848 947735350 /nfs/dbraw/zinc/73/53/50/947735350.db2.gz UNLXNLFCAZFDBM-RYKGSNAESA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(Cl)c1 ZINC001573365848 947735360 /nfs/dbraw/zinc/73/53/60/947735360.db2.gz UNLXNLFCAZFDBM-RYKGSNAESA-N -1 3 379.851 3.207 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826256523 947738806 /nfs/dbraw/zinc/73/88/06/947738806.db2.gz NUAFLCCNBHGTMK-UHFFFAOYSA-N -1 3 378.255 3.180 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826256523 947738810 /nfs/dbraw/zinc/73/88/10/947738810.db2.gz NUAFLCCNBHGTMK-UHFFFAOYSA-N -1 3 378.255 3.180 20 0 GGADHM Cc1ccnc(N2CCc3cc(Br)cc(C)c3C2)c1-c1nnn[n-]1 ZINC000826256363 947739248 /nfs/dbraw/zinc/73/92/48/947739248.db2.gz FQDJMKQNZSWMDH-UHFFFAOYSA-N -1 3 385.269 3.204 20 0 GGADHM Cc1ccnc(N2CCc3cc(Br)cc(C)c3C2)c1-c1nn[n-]n1 ZINC000826256363 947739251 /nfs/dbraw/zinc/73/92/51/947739251.db2.gz FQDJMKQNZSWMDH-UHFFFAOYSA-N -1 3 385.269 3.204 20 0 GGADHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)nn1C1CCCCC1 ZINC000826257350 947740827 /nfs/dbraw/zinc/74/08/27/947740827.db2.gz YOQMSHBJSKKCPX-UHFFFAOYSA-N -1 3 379.468 3.149 20 0 GGADHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)nn1C1CCCCC1 ZINC000826257350 947740837 /nfs/dbraw/zinc/74/08/37/947740837.db2.gz YOQMSHBJSKKCPX-UHFFFAOYSA-N -1 3 379.468 3.149 20 0 GGADHM Cc1cc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc2cccnc12 ZINC000826266492 947770060 /nfs/dbraw/zinc/77/00/60/947770060.db2.gz QIQUPCJJBGCRNY-BOPFTXTBSA-N -1 3 382.383 3.068 20 0 GGADHM Cc1cc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc2cccnc12 ZINC000826266492 947770063 /nfs/dbraw/zinc/77/00/63/947770063.db2.gz QIQUPCJJBGCRNY-BOPFTXTBSA-N -1 3 382.383 3.068 20 0 GGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826268392 947775608 /nfs/dbraw/zinc/77/56/08/947775608.db2.gz VWOKNBXBZXNFCS-NSHDSACASA-N -1 3 392.394 3.059 20 0 GGADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826268392 947775618 /nfs/dbraw/zinc/77/56/18/947775618.db2.gz VWOKNBXBZXNFCS-NSHDSACASA-N -1 3 392.394 3.059 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cnc1Br ZINC000826270984 947785801 /nfs/dbraw/zinc/78/58/01/947785801.db2.gz XDFGHDLMXQJVTM-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cnc1Br ZINC000826270984 947785810 /nfs/dbraw/zinc/78/58/10/947785810.db2.gz XDFGHDLMXQJVTM-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000826271903 947789440 /nfs/dbraw/zinc/78/94/40/947789440.db2.gz MFFFFJHSYXCFDW-UONOGXRCSA-N -1 3 394.435 3.116 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccn(-c2ccc(F)cc2C)n1 ZINC000826278648 947801488 /nfs/dbraw/zinc/80/14/88/947801488.db2.gz MXKYVGWYMDVLHC-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccn(-c2ccc(F)cc2C)n1 ZINC000826278648 947801493 /nfs/dbraw/zinc/80/14/93/947801493.db2.gz MXKYVGWYMDVLHC-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)s1 ZINC000826282149 947810523 /nfs/dbraw/zinc/81/05/23/947810523.db2.gz ACQSBNAEVVXSKW-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)s1 ZINC000826282149 947810538 /nfs/dbraw/zinc/81/05/38/947810538.db2.gz ACQSBNAEVVXSKW-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1ccc(CC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826286687 947830999 /nfs/dbraw/zinc/83/09/99/947830999.db2.gz MJSYEHRZKFZZIU-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1ccc(CC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1 ZINC000826286687 947831009 /nfs/dbraw/zinc/83/10/09/947831009.db2.gz MJSYEHRZKFZZIU-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)CC3 ZINC000826293135 947851805 /nfs/dbraw/zinc/85/18/05/947851805.db2.gz CBYXYQSSNUKSNQ-GFCCVEGCSA-N -1 3 378.461 3.005 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)CC3 ZINC000826293135 947851808 /nfs/dbraw/zinc/85/18/08/947851808.db2.gz CBYXYQSSNUKSNQ-GFCCVEGCSA-N -1 3 378.461 3.005 20 0 GGADHM Cc1cccc(CC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826297322 947857821 /nfs/dbraw/zinc/85/78/21/947857821.db2.gz BTUPOUBJCCZKTM-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1cccc(CC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826297322 947857832 /nfs/dbraw/zinc/85/78/32/947857832.db2.gz BTUPOUBJCCZKTM-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826304554 947873871 /nfs/dbraw/zinc/87/38/71/947873871.db2.gz PJYULTFZURVYMU-KRWDZBQOSA-N -1 3 386.459 3.171 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826304554 947873876 /nfs/dbraw/zinc/87/38/76/947873876.db2.gz PJYULTFZURVYMU-KRWDZBQOSA-N -1 3 386.459 3.171 20 0 GGADHM Cc1ccnc(NCCCN(C(=O)OC(C)(C)C)C(C)C)c1-c1nnn[n-]1 ZINC000826313353 947910649 /nfs/dbraw/zinc/91/06/49/947910649.db2.gz CQZRYRRBHASVFJ-UHFFFAOYSA-N -1 3 375.477 3.018 20 0 GGADHM Cc1ccnc(NCCCN(C(=O)OC(C)(C)C)C(C)C)c1-c1nn[n-]n1 ZINC000826313353 947910659 /nfs/dbraw/zinc/91/06/59/947910659.db2.gz CQZRYRRBHASVFJ-UHFFFAOYSA-N -1 3 375.477 3.018 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826323852 947944532 /nfs/dbraw/zinc/94/45/32/947944532.db2.gz UTWBGQPDDKQUBG-LBPRGKRZSA-N -1 3 387.465 3.438 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826323349 947945521 /nfs/dbraw/zinc/94/55/21/947945521.db2.gz ASOMHHGYEVPVFE-LBPRGKRZSA-N -1 3 387.465 3.438 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826323349 947945526 /nfs/dbraw/zinc/94/55/26/947945526.db2.gz ASOMHHGYEVPVFE-LBPRGKRZSA-N -1 3 387.465 3.438 20 0 GGADHM Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826334195 947966937 /nfs/dbraw/zinc/96/69/37/947966937.db2.gz LDRULVDEUZWPFJ-CYBMUJFWSA-N -1 3 387.447 3.067 20 0 GGADHM Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826334195 947966945 /nfs/dbraw/zinc/96/69/45/947966945.db2.gz LDRULVDEUZWPFJ-CYBMUJFWSA-N -1 3 387.447 3.067 20 0 GGADHM Cc1nscc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826339969 947977983 /nfs/dbraw/zinc/97/79/83/947977983.db2.gz BDBORDLMADWLLP-UHFFFAOYSA-N -1 3 376.445 3.479 20 0 GGADHM Cc1nscc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826339969 947977990 /nfs/dbraw/zinc/97/79/90/947977990.db2.gz BDBORDLMADWLLP-UHFFFAOYSA-N -1 3 376.445 3.479 20 0 GGADHM Cc1oc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1C ZINC000826340648 947978695 /nfs/dbraw/zinc/97/86/95/947978695.db2.gz GKQCELLJLJBHQO-UHFFFAOYSA-N -1 3 397.826 3.476 20 0 GGADHM Cc1oc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1C ZINC000826340648 947978699 /nfs/dbraw/zinc/97/86/99/947978699.db2.gz GKQCELLJLJBHQO-UHFFFAOYSA-N -1 3 397.826 3.476 20 0 GGADHM C[C@H](C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656150 947985769 /nfs/dbraw/zinc/98/57/69/947985769.db2.gz CGWHIGYAHOANTI-ZUZCIYMTSA-N -1 3 391.353 3.096 20 0 GGADHM C[C@H](C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656150 947985775 /nfs/dbraw/zinc/98/57/75/947985775.db2.gz CGWHIGYAHOANTI-ZUZCIYMTSA-N -1 3 391.353 3.096 20 0 GGADHM Cc1sc(NC(=O)CN2CCc3sccc3[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000826349358 948093323 /nfs/dbraw/zinc/09/33/23/948093323.db2.gz FOQJFGDWGJJMMX-SNVBAGLBSA-N -1 3 388.522 3.164 20 0 GGADHM Cc1sc(NC(=O)CN2CCc3sccc3[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000826349358 948093331 /nfs/dbraw/zinc/09/33/31/948093331.db2.gz FOQJFGDWGJJMMX-SNVBAGLBSA-N -1 3 388.522 3.164 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2ccccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826349844 948096366 /nfs/dbraw/zinc/09/63/66/948096366.db2.gz WRQFQGNKXABVNL-SNVBAGLBSA-N -1 3 390.900 3.488 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2ccccc2Cl)c(-c2nn[n-]n2)c1C ZINC000826349844 948096376 /nfs/dbraw/zinc/09/63/76/948096376.db2.gz WRQFQGNKXABVNL-SNVBAGLBSA-N -1 3 390.900 3.488 20 0 GGADHM Clc1cc(CCSc2ccc(-c3nnn[n-]3)cn2)cc2c1OCCCO2 ZINC000826350553 948097893 /nfs/dbraw/zinc/09/78/93/948097893.db2.gz BGEFBIPFFDZHCN-UHFFFAOYSA-N -1 3 389.868 3.411 20 0 GGADHM Clc1cc(CCSc2ccc(-c3nn[n-]n3)cn2)cc2c1OCCCO2 ZINC000826350553 948097899 /nfs/dbraw/zinc/09/78/99/948097899.db2.gz BGEFBIPFFDZHCN-UHFFFAOYSA-N -1 3 389.868 3.411 20 0 GGADHM Clc1ccc(N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cc1Cl ZINC000826351929 948099123 /nfs/dbraw/zinc/09/91/23/948099123.db2.gz HINJBPWQPOSCSX-JTQLQIEISA-N -1 3 376.251 3.259 20 0 GGADHM Clc1ccc(N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cc1Cl ZINC000826351929 948099130 /nfs/dbraw/zinc/09/91/30/948099130.db2.gz HINJBPWQPOSCSX-JTQLQIEISA-N -1 3 376.251 3.259 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826357999 948113626 /nfs/dbraw/zinc/11/36/26/948113626.db2.gz ZNSFFJDYFACWBR-XVJNWHFHSA-N -1 3 382.493 3.365 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826357999 948113633 /nfs/dbraw/zinc/11/36/33/948113633.db2.gz ZNSFFJDYFACWBR-XVJNWHFHSA-N -1 3 382.493 3.365 20 0 GGADHM Cn1cc(CNc2cccc(-c3cc[nH]n3)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361779 948134317 /nfs/dbraw/zinc/13/43/17/948134317.db2.gz OLXSKAHMQJMYKE-UHFFFAOYSA-N -1 3 397.446 3.269 20 0 GGADHM Cn1cc(CNc2cccc(-c3cc[nH]n3)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361779 948134325 /nfs/dbraw/zinc/13/43/25/948134325.db2.gz OLXSKAHMQJMYKE-UHFFFAOYSA-N -1 3 397.446 3.269 20 0 GGADHM FC(F)(F)[C@H](NCc1ccc(-n2cccn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826366954 948146065 /nfs/dbraw/zinc/14/60/65/948146065.db2.gz FFJQLGKRFAIYSI-QGZVFWFLSA-N -1 3 399.380 3.446 20 0 GGADHM FC(F)(F)[C@H](NCc1ccc(-n2cccn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826366954 948146072 /nfs/dbraw/zinc/14/60/72/948146072.db2.gz FFJQLGKRFAIYSI-QGZVFWFLSA-N -1 3 399.380 3.446 20 0 GGADHM Fc1cccc(O[C@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)c1 ZINC000826377287 948167011 /nfs/dbraw/zinc/16/70/11/948167011.db2.gz LVXJHDTUQSXKNO-HNNXBMFYSA-N -1 3 376.395 3.212 20 0 GGADHM Fc1cccc(O[C@H]2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)c1 ZINC000826377287 948167018 /nfs/dbraw/zinc/16/70/18/948167018.db2.gz LVXJHDTUQSXKNO-HNNXBMFYSA-N -1 3 376.395 3.212 20 0 GGADHM NC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826389379 948196384 /nfs/dbraw/zinc/19/63/84/948196384.db2.gz WNPKTIXMQVCZPM-CYBMUJFWSA-N -1 3 379.367 3.204 20 0 GGADHM NC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826389379 948196387 /nfs/dbraw/zinc/19/63/87/948196387.db2.gz WNPKTIXMQVCZPM-CYBMUJFWSA-N -1 3 379.367 3.204 20 0 GGADHM NC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826393150 948200457 /nfs/dbraw/zinc/20/04/57/948200457.db2.gz DXXQLGJJIRAWHH-UHFFFAOYSA-N -1 3 379.367 3.277 20 0 GGADHM NC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826393150 948200464 /nfs/dbraw/zinc/20/04/64/948200464.db2.gz DXXQLGJJIRAWHH-UHFFFAOYSA-N -1 3 379.367 3.277 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1ccccc1-c1nnn[n-]1 ZINC000826407950 948242460 /nfs/dbraw/zinc/24/24/60/948242460.db2.gz JGMZGPKNMWEDFJ-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1ccccc1-c1nn[n-]n1 ZINC000826407950 948242469 /nfs/dbraw/zinc/24/24/69/948242469.db2.gz JGMZGPKNMWEDFJ-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000826409217 948243262 /nfs/dbraw/zinc/24/32/62/948243262.db2.gz NGWPQFRRCWMQAI-OAHLLOKOSA-N -1 3 396.882 3.166 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000826409217 948243272 /nfs/dbraw/zinc/24/32/72/948243272.db2.gz NGWPQFRRCWMQAI-OAHLLOKOSA-N -1 3 396.882 3.166 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826422730 948269396 /nfs/dbraw/zinc/26/93/96/948269396.db2.gz JYSGRWSDITUFAG-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826422730 948269406 /nfs/dbraw/zinc/26/94/06/948269406.db2.gz JYSGRWSDITUFAG-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1sccc1-c1nnn[n-]1 ZINC000826430813 948280980 /nfs/dbraw/zinc/28/09/80/948280980.db2.gz LDEXHKTWRSFFMC-LBPRGKRZSA-N -1 3 375.841 3.225 20 0 GGADHM O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1sccc1-c1nn[n-]n1 ZINC000826430813 948280986 /nfs/dbraw/zinc/28/09/86/948280986.db2.gz LDEXHKTWRSFFMC-LBPRGKRZSA-N -1 3 375.841 3.225 20 0 GGADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000826430936 948282237 /nfs/dbraw/zinc/28/22/37/948282237.db2.gz NRQWHZLSJRIEQB-LBPRGKRZSA-N -1 3 375.841 3.225 20 0 GGADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000826430936 948282247 /nfs/dbraw/zinc/28/22/47/948282247.db2.gz NRQWHZLSJRIEQB-LBPRGKRZSA-N -1 3 375.841 3.225 20 0 GGADHM O=C(NCC1(C2CC2)CC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826434016 948287322 /nfs/dbraw/zinc/28/73/22/948287322.db2.gz ZJELNJJHCCFONO-UHFFFAOYSA-N -1 3 398.858 3.018 20 0 GGADHM O=C(NCCCCCCO)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826436087 948291807 /nfs/dbraw/zinc/29/18/07/948291807.db2.gz HLKUYDNNHUDTND-UHFFFAOYSA-N -1 3 396.451 3.333 20 0 GGADHM O=C(NCCCCCCO)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826436087 948291814 /nfs/dbraw/zinc/29/18/14/948291814.db2.gz HLKUYDNNHUDTND-UHFFFAOYSA-N -1 3 396.451 3.333 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1sccc1-c1nnn[n-]1 ZINC000826438762 948296205 /nfs/dbraw/zinc/29/62/05/948296205.db2.gz PRGZOHXDWQIKKJ-UHFFFAOYSA-N -1 3 398.275 3.182 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1sccc1-c1nn[n-]n1 ZINC000826438762 948296214 /nfs/dbraw/zinc/29/62/14/948296214.db2.gz PRGZOHXDWQIKKJ-UHFFFAOYSA-N -1 3 398.275 3.182 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)NC[C@@H]1CCCS1 ZINC000826440850 948300339 /nfs/dbraw/zinc/30/03/39/948300339.db2.gz CSWYINZYLYBVJI-INIZCTEOSA-N -1 3 394.504 3.229 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)NC[C@@H]1CCCS1 ZINC000826440850 948300348 /nfs/dbraw/zinc/30/03/48/948300348.db2.gz CSWYINZYLYBVJI-INIZCTEOSA-N -1 3 394.504 3.229 20 0 GGADHM O=C(Nc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000826453478 948324244 /nfs/dbraw/zinc/32/42/44/948324244.db2.gz MDKASASHOIGZEL-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(Nc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000826453478 948324252 /nfs/dbraw/zinc/32/42/52/948324252.db2.gz MDKASASHOIGZEL-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826455117 948326140 /nfs/dbraw/zinc/32/61/40/948326140.db2.gz ZSEVQUZDOZWZSH-UHFFFAOYSA-N -1 3 395.442 3.424 20 0 GGADHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826455117 948326150 /nfs/dbraw/zinc/32/61/50/948326150.db2.gz ZSEVQUZDOZWZSH-UHFFFAOYSA-N -1 3 395.442 3.424 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N[C@@H]1CCCOCC1 ZINC000826457179 948332393 /nfs/dbraw/zinc/33/23/93/948332393.db2.gz OQNLKWAWZNAJKM-OAHLLOKOSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N[C@@H]1CCCOCC1 ZINC000826457179 948332401 /nfs/dbraw/zinc/33/24/01/948332401.db2.gz OQNLKWAWZNAJKM-OAHLLOKOSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826458323 948337954 /nfs/dbraw/zinc/33/79/54/948337954.db2.gz LVWCEUBQYSZPAE-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826458323 948337963 /nfs/dbraw/zinc/33/79/63/948337963.db2.gz LVWCEUBQYSZPAE-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)NC1CCCCC1 ZINC000826458638 948341894 /nfs/dbraw/zinc/34/18/94/948341894.db2.gz ZCSFORXLRIJVKA-UHFFFAOYSA-N -1 3 386.847 3.160 20 0 GGADHM O=C(OCCCCCCO)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826463602 948356561 /nfs/dbraw/zinc/35/65/61/948356561.db2.gz LZUSOSWYNLGPJX-UHFFFAOYSA-N -1 3 382.420 3.369 20 0 GGADHM O=C(OCCCCCCO)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826463602 948356565 /nfs/dbraw/zinc/35/65/65/948356565.db2.gz LZUSOSWYNLGPJX-UHFFFAOYSA-N -1 3 382.420 3.369 20 0 GGADHM O=C(Oc1ccc(-n2ncc3ccccc32)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826468283 948366263 /nfs/dbraw/zinc/36/62/63/948366263.db2.gz KDULIUSRPUECCC-UHFFFAOYSA-N -1 3 388.412 3.486 20 0 GGADHM O=C(Oc1ccc(-n2ncc3ccccc32)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826468283 948366270 /nfs/dbraw/zinc/36/62/70/948366270.db2.gz KDULIUSRPUECCC-UHFFFAOYSA-N -1 3 388.412 3.486 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCOC2(CCC2)C1 ZINC000826474662 948376232 /nfs/dbraw/zinc/37/62/32/948376232.db2.gz ZGFKYTYQNGHITQ-UHFFFAOYSA-N -1 3 391.431 3.054 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCOC2(CCC2)C1 ZINC000826474662 948376234 /nfs/dbraw/zinc/37/62/34/948376234.db2.gz ZGFKYTYQNGHITQ-UHFFFAOYSA-N -1 3 391.431 3.054 20 0 GGADHM c1c2c(nc(SCc3nnc(C4CC4)n3C3CC3)c1-c1nnn[n-]1)CCCC2 ZINC000826512323 948435613 /nfs/dbraw/zinc/43/56/13/948435613.db2.gz WWYLLSAAMGMSKJ-UHFFFAOYSA-N -1 3 394.508 3.237 20 0 GGADHM c1c2c(nc(SCc3nnc(C4CC4)n3C3CC3)c1-c1nn[n-]n1)CCCC2 ZINC000826512323 948435619 /nfs/dbraw/zinc/43/56/19/948435619.db2.gz WWYLLSAAMGMSKJ-UHFFFAOYSA-N -1 3 394.508 3.237 20 0 GGADHM c1ccc(SC[C@@H]2CCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)cc1 ZINC000826522727 948454854 /nfs/dbraw/zinc/45/48/54/948454854.db2.gz LWSJPOXVEQZPTQ-CQSZACIVSA-N -1 3 377.477 3.133 20 0 GGADHM c1ccc(SC[C@@H]2CCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)cc1 ZINC000826522727 948454856 /nfs/dbraw/zinc/45/48/56/948454856.db2.gz LWSJPOXVEQZPTQ-CQSZACIVSA-N -1 3 377.477 3.133 20 0 GGADHM c1cn(CCCC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cn1 ZINC000826524694 948462980 /nfs/dbraw/zinc/46/29/80/948462980.db2.gz FWQBGOGUVHUOSO-UHFFFAOYSA-N -1 3 388.479 3.308 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001290404800 948498037 /nfs/dbraw/zinc/49/80/37/948498037.db2.gz KHRHSPPZNQEBDB-UHFFFAOYSA-N -1 3 383.318 3.107 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001290404800 948498044 /nfs/dbraw/zinc/49/80/44/948498044.db2.gz KHRHSPPZNQEBDB-UHFFFAOYSA-N -1 3 383.318 3.107 20 0 GGADHM O=C(Cc1cc(Br)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292432625 948499410 /nfs/dbraw/zinc/49/94/10/948499410.db2.gz IXQBKRBZVNTHCT-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1cc(Br)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292432625 948499415 /nfs/dbraw/zinc/49/94/15/948499415.db2.gz IXQBKRBZVNTHCT-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM Cc1cc(Br)c(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001442660153 948519839 /nfs/dbraw/zinc/51/98/39/948519839.db2.gz RCTLEAIJQKTRBY-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1cc(Br)c(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001442660153 948519844 /nfs/dbraw/zinc/51/98/44/948519844.db2.gz RCTLEAIJQKTRBY-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CC(C)C[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001463743234 948527734 /nfs/dbraw/zinc/52/77/34/948527734.db2.gz AWNPZLHCSWNWCP-MRXNPFEDSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)C[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001463743234 948527738 /nfs/dbraw/zinc/52/77/38/948527738.db2.gz AWNPZLHCSWNWCP-MRXNPFEDSA-N -1 3 383.905 3.109 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cccnc1SC(F)(F)F ZINC001525060102 948538468 /nfs/dbraw/zinc/53/84/68/948538468.db2.gz RZDRNGDNMIVGNK-UHFFFAOYSA-N -1 3 384.318 3.265 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cccnc1SC(F)(F)F ZINC001525060102 948538475 /nfs/dbraw/zinc/53/84/75/948538475.db2.gz RZDRNGDNMIVGNK-UHFFFAOYSA-N -1 3 384.318 3.265 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001542565183 948551886 /nfs/dbraw/zinc/55/18/86/948551886.db2.gz VMGAJJJGTBMJBY-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001542565183 948551890 /nfs/dbraw/zinc/55/18/90/948551890.db2.gz VMGAJJJGTBMJBY-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM O=C(Cc1ccc(Br)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001542565453 948552326 /nfs/dbraw/zinc/55/23/26/948552326.db2.gz YIAVFEQHCSFECR-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccc(Br)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001542565453 948552332 /nfs/dbraw/zinc/55/23/32/948552332.db2.gz YIAVFEQHCSFECR-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001544666392 948554079 /nfs/dbraw/zinc/55/40/79/948554079.db2.gz WCLHVWXXHOMLAE-PKNBQFBNSA-N -1 3 381.392 3.067 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001544666392 948554087 /nfs/dbraw/zinc/55/40/87/948554087.db2.gz WCLHVWXXHOMLAE-PKNBQFBNSA-N -1 3 381.392 3.067 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)co1 ZINC001557790085 948556517 /nfs/dbraw/zinc/55/65/17/948556517.db2.gz CBRZQWBJDYWUET-HJWRWDBZSA-N -1 3 381.392 3.067 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)co1 ZINC001557790085 948556521 /nfs/dbraw/zinc/55/65/21/948556521.db2.gz CBRZQWBJDYWUET-HJWRWDBZSA-N -1 3 381.392 3.067 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC001573731735 948595053 /nfs/dbraw/zinc/59/50/53/948595053.db2.gz YEDWGJWRCHGZAJ-SNVBAGLBSA-N -1 3 393.344 3.445 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC001573731735 948595055 /nfs/dbraw/zinc/59/50/55/948595055.db2.gz YEDWGJWRCHGZAJ-SNVBAGLBSA-N -1 3 393.344 3.445 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1nc2ccccc2[nH]1 ZINC001574078512 948757505 /nfs/dbraw/zinc/75/75/05/948757505.db2.gz DJXCGUIPSZSPLY-INIZCTEOSA-N -1 3 379.399 3.009 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1nc2ccccc2[nH]1 ZINC001574078512 948757511 /nfs/dbraw/zinc/75/75/11/948757511.db2.gz DJXCGUIPSZSPLY-INIZCTEOSA-N -1 3 379.399 3.009 20 0 GGADHM CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001574079077 948763070 /nfs/dbraw/zinc/76/30/70/948763070.db2.gz IWILXCJXPHKILJ-CYBMUJFWSA-N -1 3 384.362 3.321 20 0 GGADHM CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001574079077 948763080 /nfs/dbraw/zinc/76/30/80/948763080.db2.gz IWILXCJXPHKILJ-CYBMUJFWSA-N -1 3 384.362 3.321 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)n1ccc(C(F)(F)F)n1 ZINC001573755600 948773942 /nfs/dbraw/zinc/77/39/42/948773942.db2.gz GFVKKGQQQIAPAO-VIFPVBQESA-N -1 3 391.357 3.159 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)n1ccc(C(F)(F)F)n1 ZINC001573755600 948773948 /nfs/dbraw/zinc/77/39/48/948773948.db2.gz GFVKKGQQQIAPAO-VIFPVBQESA-N -1 3 391.357 3.159 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1I)C(C)(C)C ZINC001573755586 948776428 /nfs/dbraw/zinc/77/64/28/948776428.db2.gz FUIDRWOXZMXZOL-QMMMGPOBSA-N -1 3 399.236 3.092 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1I)C(C)(C)C ZINC001573755586 948776434 /nfs/dbraw/zinc/77/64/34/948776434.db2.gz FUIDRWOXZMXZOL-QMMMGPOBSA-N -1 3 399.236 3.092 20 0 GGADHM CC(C)c1csc(NC(=O)c2cccc(-c3nnn[n-]3)c2Br)n1 ZINC001574424502 948853126 /nfs/dbraw/zinc/85/31/26/948853126.db2.gz OAFZAMLQYJRVJC-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1csc(NC(=O)c2cccc(-c3nn[n-]n3)c2Br)n1 ZINC001574424502 948853139 /nfs/dbraw/zinc/85/31/39/948853139.db2.gz OAFZAMLQYJRVJC-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(C2CCC2)CCC1 ZINC001574082772 948865697 /nfs/dbraw/zinc/86/56/97/948865697.db2.gz JMXRZTKEIIQVOR-SFHVURJKSA-N -1 3 383.496 3.357 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(C2CCC2)CCC1 ZINC001574082772 948865711 /nfs/dbraw/zinc/86/57/11/948865711.db2.gz JMXRZTKEIIQVOR-SFHVURJKSA-N -1 3 383.496 3.357 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC001574082835 948868986 /nfs/dbraw/zinc/86/89/86/948868986.db2.gz LDNYKDCRXQSCQE-FZKQIMNGSA-N -1 3 383.427 3.287 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC001574082835 948869005 /nfs/dbraw/zinc/86/90/05/948869005.db2.gz LDNYKDCRXQSCQE-FZKQIMNGSA-N -1 3 383.427 3.287 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cnc(F)c(Cl)c1 ZINC001574082842 948869360 /nfs/dbraw/zinc/86/93/60/948869360.db2.gz LLAWQENXXYLNHR-CQSZACIVSA-N -1 3 390.806 3.096 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cnc(F)c(Cl)c1 ZINC001574082842 948869383 /nfs/dbraw/zinc/86/93/83/948869383.db2.gz LLAWQENXXYLNHR-CQSZACIVSA-N -1 3 390.806 3.096 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC001574082809 948869885 /nfs/dbraw/zinc/86/98/85/948869885.db2.gz KNGFFEGXSBXQOY-XJKSGUPXSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC001574082809 948869899 /nfs/dbraw/zinc/86/98/99/948869899.db2.gz KNGFFEGXSBXQOY-XJKSGUPXSA-N -1 3 393.438 3.212 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC001574083245 948880434 /nfs/dbraw/zinc/88/04/34/948880434.db2.gz QXUAUCSMZMDVDA-UXLLHSPISA-N -1 3 383.477 3.004 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC001574083245 948880454 /nfs/dbraw/zinc/88/04/54/948880454.db2.gz QXUAUCSMZMDVDA-UXLLHSPISA-N -1 3 383.477 3.004 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC1CCC(F)(F)CC1 ZINC001574083616 948886178 /nfs/dbraw/zinc/88/61/78/948886178.db2.gz VTZIJZNDUOLXAZ-OAHLLOKOSA-N -1 3 380.395 3.391 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC1CCC(F)(F)CC1 ZINC001574083616 948886194 /nfs/dbraw/zinc/88/61/94/948886194.db2.gz VTZIJZNDUOLXAZ-OAHLLOKOSA-N -1 3 380.395 3.391 20 0 GGADHM CC[C@@](O)(CCC(F)(F)F)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589573637 948925066 /nfs/dbraw/zinc/92/50/66/948925066.db2.gz NVPVGBNTKSAYOF-CXAGYDPISA-N -1 3 392.418 3.154 20 0 GGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001574088856 948937709 /nfs/dbraw/zinc/93/77/09/948937709.db2.gz FKMUFKOBUZDBAG-QYZOEREBSA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001574088856 948937727 /nfs/dbraw/zinc/93/77/27/948937727.db2.gz FKMUFKOBUZDBAG-QYZOEREBSA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574090645 948990890 /nfs/dbraw/zinc/99/08/90/948990890.db2.gz MSSNDUUMLPNODZ-UWJYYQICSA-N -1 3 391.479 3.038 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574090645 948990903 /nfs/dbraw/zinc/99/09/03/948990903.db2.gz MSSNDUUMLPNODZ-UWJYYQICSA-N -1 3 391.479 3.038 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC001574091486 949019012 /nfs/dbraw/zinc/01/90/12/949019012.db2.gz NTCZQMQFGGUXPV-NVXWUHKLSA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC001574091486 949019032 /nfs/dbraw/zinc/01/90/32/949019032.db2.gz NTCZQMQFGGUXPV-NVXWUHKLSA-N -1 3 393.495 3.387 20 0 GGADHM C[C@@H](CCO)C1(CNc2cc(Br)ccc2-c2nnn[n-]2)CCC1 ZINC001574692966 949046880 /nfs/dbraw/zinc/04/68/80/949046880.db2.gz FAWZYQZQOMVYSQ-NSHDSACASA-N -1 3 380.290 3.230 20 0 GGADHM C[C@@H](CCO)C1(CNc2cc(Br)ccc2-c2nn[n-]n2)CCC1 ZINC001574692966 949046899 /nfs/dbraw/zinc/04/68/99/949046899.db2.gz FAWZYQZQOMVYSQ-NSHDSACASA-N -1 3 380.290 3.230 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001575503956 949052121 /nfs/dbraw/zinc/05/21/21/949052121.db2.gz NMOWHPSJLZHKHG-QMMMGPOBSA-N -1 3 378.770 3.027 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575504254 949061163 /nfs/dbraw/zinc/06/11/63/949061163.db2.gz PDAUGFKJAOKHNE-JTQLQIEISA-N -1 3 393.344 3.456 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575504254 949061182 /nfs/dbraw/zinc/06/11/82/949061182.db2.gz PDAUGFKJAOKHNE-JTQLQIEISA-N -1 3 393.344 3.456 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@H](C)CC2 ZINC001575504437 949072372 /nfs/dbraw/zinc/07/23/72/949072372.db2.gz UMJHCWIQKFOJPA-WOPDTQHZSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@H](C)CC2 ZINC001575504437 949072397 /nfs/dbraw/zinc/07/23/97/949072397.db2.gz UMJHCWIQKFOJPA-WOPDTQHZSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001575504447 949074376 /nfs/dbraw/zinc/07/43/76/949074376.db2.gz UQSYDSKFDWNVHH-NSHDSACASA-N -1 3 398.467 3.399 20 0 GGADHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001575504447 949074400 /nfs/dbraw/zinc/07/44/00/949074400.db2.gz UQSYDSKFDWNVHH-NSHDSACASA-N -1 3 398.467 3.399 20 0 GGADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001574092862 949082449 /nfs/dbraw/zinc/08/24/49/949082449.db2.gz UQADDWRLPXEROR-LLVKDONJSA-N -1 3 378.274 3.137 20 0 GGADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001574092862 949082428 /nfs/dbraw/zinc/08/24/28/949082428.db2.gz UQADDWRLPXEROR-LLVKDONJSA-N -1 3 378.274 3.137 20 0 GGADHM C[C@@H](CCOc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574694572 949082201 /nfs/dbraw/zinc/08/22/01/949082201.db2.gz RUWGMUCSEQQCHI-INIZCTEOSA-N -1 3 393.491 3.409 20 0 GGADHM C[C@@H](CCOc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574694572 949082217 /nfs/dbraw/zinc/08/22/17/949082217.db2.gz RUWGMUCSEQQCHI-INIZCTEOSA-N -1 3 393.491 3.409 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)ccc1-n1cccn1 ZINC001575504971 949099294 /nfs/dbraw/zinc/09/92/94/949099294.db2.gz WIFKDAFQOVTLKY-CYBMUJFWSA-N -1 3 391.410 3.025 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)ccc1-n1cccn1 ZINC001575504971 949099310 /nfs/dbraw/zinc/09/93/10/949099310.db2.gz WIFKDAFQOVTLKY-CYBMUJFWSA-N -1 3 391.410 3.025 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)ccc1-n1cccn1 ZINC001575504972 949099352 /nfs/dbraw/zinc/09/93/52/949099352.db2.gz WIFKDAFQOVTLKY-ZDUSSCGKSA-N -1 3 391.410 3.025 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)ccc1-n1cccn1 ZINC001575504972 949099367 /nfs/dbraw/zinc/09/93/67/949099367.db2.gz WIFKDAFQOVTLKY-ZDUSSCGKSA-N -1 3 391.410 3.025 20 0 GGADHM CC(C)(C(=O)NCCc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC001573781644 949112097 /nfs/dbraw/zinc/11/20/97/949112097.db2.gz LTRFCZRTZKTGJU-UHFFFAOYSA-N -1 3 386.459 3.051 20 0 GGADHM CC(C)(C(=O)NCCc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC001573781644 949112105 /nfs/dbraw/zinc/11/21/05/949112105.db2.gz LTRFCZRTZKTGJU-UHFFFAOYSA-N -1 3 386.459 3.051 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001575511615 949129570 /nfs/dbraw/zinc/12/95/70/949129570.db2.gz KNBDVIVGVBYHBW-CQSZACIVSA-N -1 3 397.504 3.127 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001575511615 949129590 /nfs/dbraw/zinc/12/95/90/949129590.db2.gz KNBDVIVGVBYHBW-CQSZACIVSA-N -1 3 397.504 3.127 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)S(=O)(=O)Cc1ccccc1Cl ZINC001575512870 949148068 /nfs/dbraw/zinc/14/80/68/949148068.db2.gz PRANSYCSOVKJDB-GFCCVEGCSA-N -1 3 391.884 3.043 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)S(=O)(=O)Cc1ccccc1Cl ZINC001575512870 949148081 /nfs/dbraw/zinc/14/80/81/949148081.db2.gz PRANSYCSOVKJDB-GFCCVEGCSA-N -1 3 391.884 3.043 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)nc1-c1cccs1 ZINC001575513832 949154069 /nfs/dbraw/zinc/15/40/69/949154069.db2.gz SZDXBIJGJXAZLV-LBPRGKRZSA-N -1 3 393.476 3.162 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)nc1-c1cccs1 ZINC001575513832 949154087 /nfs/dbraw/zinc/15/40/87/949154087.db2.gz SZDXBIJGJXAZLV-LBPRGKRZSA-N -1 3 393.476 3.162 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001574098500 949159670 /nfs/dbraw/zinc/15/96/70/949159670.db2.gz BDKLUFPYJBCZFM-IERDGZPVSA-N -1 3 391.475 3.321 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001574098500 949159689 /nfs/dbraw/zinc/15/96/89/949159689.db2.gz BDKLUFPYJBCZFM-IERDGZPVSA-N -1 3 391.475 3.321 20 0 GGADHM CC(C)[C@@H]1CN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2C2CC2)CCS1 ZINC001574098492 949161678 /nfs/dbraw/zinc/16/16/78/949161678.db2.gz AZKYFWPRYIHGHF-INIZCTEOSA-N -1 3 396.524 3.038 20 0 GGADHM CC(C)[C@@H]1CN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2C2CC2)CCS1 ZINC001574098492 949161692 /nfs/dbraw/zinc/16/16/92/949161692.db2.gz AZKYFWPRYIHGHF-INIZCTEOSA-N -1 3 396.524 3.038 20 0 GGADHM CC(C)[C@H]1CN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2C2CC2)CCS1 ZINC001574098493 949162826 /nfs/dbraw/zinc/16/28/26/949162826.db2.gz AZKYFWPRYIHGHF-MRXNPFEDSA-N -1 3 396.524 3.038 20 0 GGADHM CC(C)[C@H]1CN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2C2CC2)CCS1 ZINC001574098493 949162839 /nfs/dbraw/zinc/16/28/39/949162839.db2.gz AZKYFWPRYIHGHF-MRXNPFEDSA-N -1 3 396.524 3.038 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574099175 949168905 /nfs/dbraw/zinc/16/89/05/949168905.db2.gz ITUMXNILRHGESS-CRAIPNDOSA-N -1 3 395.467 3.312 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574099175 949168920 /nfs/dbraw/zinc/16/89/20/949168920.db2.gz ITUMXNILRHGESS-CRAIPNDOSA-N -1 3 395.467 3.312 20 0 GGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574099178 949171369 /nfs/dbraw/zinc/17/13/69/949171369.db2.gz ITUMXNILRHGESS-YJBOKZPZSA-N -1 3 395.467 3.312 20 0 GGADHM CC(C)[C@@H]1OCCC[C@H]1CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574099178 949171394 /nfs/dbraw/zinc/17/13/94/949171394.db2.gz ITUMXNILRHGESS-YJBOKZPZSA-N -1 3 395.467 3.312 20 0 GGADHM CC(C)[C@H]1CN(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c2ccccc21 ZINC001574099215 949174353 /nfs/dbraw/zinc/17/43/53/949174353.db2.gz KDBXQEUGLHKHRZ-IEBWSBKVSA-N -1 3 388.475 3.303 20 0 GGADHM CC(C)[C@H]1CN(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c2ccccc21 ZINC001574099215 949174360 /nfs/dbraw/zinc/17/43/60/949174360.db2.gz KDBXQEUGLHKHRZ-IEBWSBKVSA-N -1 3 388.475 3.303 20 0 GGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575514885 949175157 /nfs/dbraw/zinc/17/51/57/949175157.db2.gz ZHRYNRNBQNZHHN-VIFPVBQESA-N -1 3 377.235 3.402 20 0 GGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575514885 949175169 /nfs/dbraw/zinc/17/51/69/949175169.db2.gz ZHRYNRNBQNZHHN-VIFPVBQESA-N -1 3 377.235 3.402 20 0 GGADHM CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001574099729 949182000 /nfs/dbraw/zinc/18/20/00/949182000.db2.gz OIWBATVQSYZFLX-KBXCAEBGSA-N -1 3 376.464 3.454 20 0 GGADHM CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001574099729 949182019 /nfs/dbraw/zinc/18/20/19/949182019.db2.gz OIWBATVQSYZFLX-KBXCAEBGSA-N -1 3 376.464 3.454 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc2N1 ZINC001574099690 949183171 /nfs/dbraw/zinc/18/31/71/949183171.db2.gz NKPAOVXZTOKWOZ-CQSZACIVSA-N -1 3 383.843 3.012 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc2N1 ZINC001574099690 949183181 /nfs/dbraw/zinc/18/31/81/949183181.db2.gz NKPAOVXZTOKWOZ-CQSZACIVSA-N -1 3 383.843 3.012 20 0 GGADHM CC(C)[C@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3F)sc2C1 ZINC001574099858 949185998 /nfs/dbraw/zinc/18/59/98/949185998.db2.gz PACYMNMVJVIIBF-JTQLQIEISA-N -1 3 386.456 3.476 20 0 GGADHM CC(C)[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3F)sc2C1 ZINC001574099858 949186007 /nfs/dbraw/zinc/18/60/07/949186007.db2.gz PACYMNMVJVIIBF-JTQLQIEISA-N -1 3 386.456 3.476 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787826 949187684 /nfs/dbraw/zinc/18/76/84/949187684.db2.gz BIPWCXOXZCMGTI-UHFFFAOYSA-N -1 3 391.410 3.108 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787826 949187698 /nfs/dbraw/zinc/18/76/98/949187698.db2.gz BIPWCXOXZCMGTI-UHFFFAOYSA-N -1 3 391.410 3.108 20 0 GGADHM CC(C)c1ocnc1C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001574449883 949202459 /nfs/dbraw/zinc/20/24/59/949202459.db2.gz UPCFHSKDBJPZIY-UHFFFAOYSA-N -1 3 396.176 3.099 20 0 GGADHM CC(C)c1ocnc1C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001574449883 949202470 /nfs/dbraw/zinc/20/24/70/949202470.db2.gz UPCFHSKDBJPZIY-UHFFFAOYSA-N -1 3 396.176 3.099 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001575516190 949202762 /nfs/dbraw/zinc/20/27/62/949202762.db2.gz NLQGXDAWDUXYEH-KXBFYZLASA-N -1 3 377.448 3.040 20 0 GGADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001575516187 949202809 /nfs/dbraw/zinc/20/28/09/949202809.db2.gz NLQGXDAWDUXYEH-DNVCBOLYSA-N -1 3 377.448 3.040 20 0 GGADHM CC(C)(C(=O)Nc1cc(-c2cccs2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788792 949212783 /nfs/dbraw/zinc/21/27/83/949212783.db2.gz XWZWGRXOXWNPNR-UHFFFAOYSA-N -1 3 379.449 3.235 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001575516697 949216897 /nfs/dbraw/zinc/21/68/97/949216897.db2.gz QVHUWIDHFBXJKE-LBPRGKRZSA-N -1 3 392.398 3.456 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001575516697 949216916 /nfs/dbraw/zinc/21/69/16/949216916.db2.gz QVHUWIDHFBXJKE-LBPRGKRZSA-N -1 3 392.398 3.456 20 0 GGADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575517264 949227743 /nfs/dbraw/zinc/22/77/43/949227743.db2.gz UZAINPDFGAQAGP-AUUYWEPGSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575517264 949227755 /nfs/dbraw/zinc/22/77/55/949227755.db2.gz UZAINPDFGAQAGP-AUUYWEPGSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H]1CCC[C@H](C2CN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001576152619 949253143 /nfs/dbraw/zinc/25/31/43/949253143.db2.gz JQYMAVRPLXBLHD-PBHICJAKSA-N -1 3 385.537 3.385 20 0 GGADHM C[C@@H]1CCC[C@H](C2CN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001576152619 949253158 /nfs/dbraw/zinc/25/31/58/949253158.db2.gz JQYMAVRPLXBLHD-PBHICJAKSA-N -1 3 385.537 3.385 20 0 GGADHM C[C@H]1CCC[C@H](C2CN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001576152622 949254734 /nfs/dbraw/zinc/25/47/34/949254734.db2.gz JQYMAVRPLXBLHD-YOEHRIQHSA-N -1 3 385.537 3.385 20 0 GGADHM C[C@H]1CCC[C@H](C2CN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001576152622 949254755 /nfs/dbraw/zinc/25/47/55/949254755.db2.gz JQYMAVRPLXBLHD-YOEHRIQHSA-N -1 3 385.537 3.385 20 0 GGADHM C[C@@H](NC(=O)C1(c2nccc3ccccc32)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001575256906 949260763 /nfs/dbraw/zinc/26/07/63/949260763.db2.gz XMQORWVZEJGSHY-CQSZACIVSA-N -1 3 384.443 3.324 20 0 GGADHM C[C@@H](NC(=O)C1(c2nccc3ccccc32)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001575256906 949260788 /nfs/dbraw/zinc/26/07/88/949260788.db2.gz XMQORWVZEJGSHY-CQSZACIVSA-N -1 3 384.443 3.324 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)[C@H]1C ZINC001576153102 949274578 /nfs/dbraw/zinc/27/45/78/949274578.db2.gz LVPNATOWZRFZIE-DVOMOZLQSA-N -1 3 380.452 3.324 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)[C@H]1C ZINC001576153102 949274600 /nfs/dbraw/zinc/27/46/00/949274600.db2.gz LVPNATOWZRFZIE-DVOMOZLQSA-N -1 3 380.452 3.324 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)[C@@H]1C ZINC001576153114 949275284 /nfs/dbraw/zinc/27/52/84/949275284.db2.gz LYFKZGGKRVCCNL-BREBYQMCSA-N -1 3 378.274 3.184 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)[C@@H]1C ZINC001576153114 949275312 /nfs/dbraw/zinc/27/53/12/949275312.db2.gz LYFKZGGKRVCCNL-BREBYQMCSA-N -1 3 378.274 3.184 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C(=O)OC)c(Br)c2)C1 ZINC001589606409 949284125 /nfs/dbraw/zinc/28/41/25/949284125.db2.gz OEJALHJGGYFHFH-QGZVFWFLSA-N -1 3 384.270 3.313 20 0 GGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575523367 949286966 /nfs/dbraw/zinc/28/69/66/949286966.db2.gz PLVHOADUSRLWQF-SNVBAGLBSA-N -1 3 380.437 3.096 20 0 GGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575523367 949286985 /nfs/dbraw/zinc/28/69/85/949286985.db2.gz PLVHOADUSRLWQF-SNVBAGLBSA-N -1 3 380.437 3.096 20 0 GGADHM CC(C)n1cc(Cl)c(NC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)n1 ZINC001574454780 949291564 /nfs/dbraw/zinc/29/15/64/949291564.db2.gz DLQOJJJLRYXZCY-UHFFFAOYSA-N -1 3 398.814 3.205 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001589606578 949293669 /nfs/dbraw/zinc/29/36/69/949293669.db2.gz WRVBLIRJNYRGAQ-FQEVSTJZSA-N -1 3 376.428 3.181 20 0 GGADHM C[C@H]1C(=O)CCCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001575865804 949382279 /nfs/dbraw/zinc/38/22/79/949382279.db2.gz MWZKDDPYSUVDAD-ZDUSSCGKSA-N -1 3 393.472 3.212 20 0 GGADHM C[C@H]1C(=O)CCCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001575865804 949382301 /nfs/dbraw/zinc/38/23/01/949382301.db2.gz MWZKDDPYSUVDAD-ZDUSSCGKSA-N -1 3 393.472 3.212 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCCO2 ZINC001575263160 949390070 /nfs/dbraw/zinc/39/00/70/949390070.db2.gz FENFSMMTJKHUPI-RBJHHQRMSA-N -1 3 375.432 3.082 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)CCCO2 ZINC001575263160 949390093 /nfs/dbraw/zinc/39/00/93/949390093.db2.gz FENFSMMTJKHUPI-RBJHHQRMSA-N -1 3 375.432 3.082 20 0 GGADHM C[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001576155657 949414869 /nfs/dbraw/zinc/41/48/69/949414869.db2.gz JTFWDSKREGAKCS-UWVGGRQHSA-N -1 3 379.262 3.187 20 0 GGADHM C[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001576155657 949414883 /nfs/dbraw/zinc/41/48/83/949414883.db2.gz JTFWDSKREGAKCS-UWVGGRQHSA-N -1 3 379.262 3.187 20 0 GGADHM CC1=NO[C@@](C)(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC001575866575 949415351 /nfs/dbraw/zinc/41/53/51/949415351.db2.gz VJBFOIZSCHRVQO-SPLOXXLWSA-N -1 3 390.447 3.266 20 0 GGADHM CC1=NO[C@@](C)(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC001575866575 949415364 /nfs/dbraw/zinc/41/53/64/949415364.db2.gz VJBFOIZSCHRVQO-SPLOXXLWSA-N -1 3 390.447 3.266 20 0 GGADHM C[C@@H]1CCC[C@H](OC(=O)COc2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001576155826 949417724 /nfs/dbraw/zinc/41/77/24/949417724.db2.gz VHJXYWXCUBSVOH-MNOVXSKESA-N -1 3 395.257 3.130 20 0 GGADHM C[C@@H]1CCC[C@H](OC(=O)COc2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001576155826 949417733 /nfs/dbraw/zinc/41/77/33/949417733.db2.gz VHJXYWXCUBSVOH-MNOVXSKESA-N -1 3 395.257 3.130 20 0 GGADHM C[C@H]1CCC[C@H](OC(=O)COc2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001576155827 949418571 /nfs/dbraw/zinc/41/85/71/949418571.db2.gz VHJXYWXCUBSVOH-QWRGUYRKSA-N -1 3 395.257 3.130 20 0 GGADHM C[C@H]1CCC[C@H](OC(=O)COc2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001576155827 949418576 /nfs/dbraw/zinc/41/85/76/949418576.db2.gz VHJXYWXCUBSVOH-QWRGUYRKSA-N -1 3 395.257 3.130 20 0 GGADHM CC(C)n1cnc2ccc(CNC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc21 ZINC001574468512 949460800 /nfs/dbraw/zinc/46/08/00/949460800.db2.gz NGCGZRQRQCVNNT-UHFFFAOYSA-N -1 3 397.389 3.006 20 0 GGADHM CC(C)n1cnc2ccc(CNC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc21 ZINC001574468512 949460823 /nfs/dbraw/zinc/46/08/23/949460823.db2.gz NGCGZRQRQCVNNT-UHFFFAOYSA-N -1 3 397.389 3.006 20 0 GGADHM O=C([O-])c1cccc(CN2CCC[C@@H](c3ncc(Br)cn3)C2)c1 ZINC001595242142 949477065 /nfs/dbraw/zinc/47/70/65/949477065.db2.gz IUDSZHFCUOYJCT-CQSZACIVSA-N -1 3 376.254 3.317 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575870583 949491586 /nfs/dbraw/zinc/49/15/86/949491586.db2.gz VSFTVDJCTMSMDG-HOCLYGCPSA-N -1 3 397.429 3.438 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575870583 949491599 /nfs/dbraw/zinc/49/15/99/949491599.db2.gz VSFTVDJCTMSMDG-HOCLYGCPSA-N -1 3 397.429 3.438 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC001573806708 949492234 /nfs/dbraw/zinc/49/22/34/949492234.db2.gz SNFKPJDTFXFTMN-UHFFFAOYSA-N -1 3 399.842 3.152 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC001573806708 949492247 /nfs/dbraw/zinc/49/22/47/949492247.db2.gz SNFKPJDTFXFTMN-UHFFFAOYSA-N -1 3 399.842 3.152 20 0 GGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576157740 949492312 /nfs/dbraw/zinc/49/23/12/949492312.db2.gz RUGBZQXNRUJPCT-RYUDHWBXSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576157740 949492322 /nfs/dbraw/zinc/49/23/22/949492322.db2.gz RUGBZQXNRUJPCT-RYUDHWBXSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001576163382 949529295 /nfs/dbraw/zinc/52/92/95/949529295.db2.gz ARMBDJHQXCLTMT-GXFFZTMASA-N -1 3 381.278 3.031 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001576163382 949529313 /nfs/dbraw/zinc/52/93/13/949529313.db2.gz ARMBDJHQXCLTMT-GXFFZTMASA-N -1 3 381.278 3.031 20 0 GGADHM C[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001576169191 949666815 /nfs/dbraw/zinc/66/68/15/949666815.db2.gz IJRQXPUEWPKQAA-WCQYABFASA-N -1 3 392.301 3.114 20 0 GGADHM C[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001576169191 949666824 /nfs/dbraw/zinc/66/68/24/949666824.db2.gz IJRQXPUEWPKQAA-WCQYABFASA-N -1 3 392.301 3.114 20 0 GGADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001574481963 949814219 /nfs/dbraw/zinc/81/42/19/949814219.db2.gz XZRMCKUUFPGYAQ-UZLBHIALSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001574481963 949814239 /nfs/dbraw/zinc/81/42/39/949814239.db2.gz XZRMCKUUFPGYAQ-UZLBHIALSA-N -1 3 390.491 3.098 20 0 GGADHM CC(C)(C)[C@H](NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573823479 949834593 /nfs/dbraw/zinc/83/45/93/949834593.db2.gz XLSXKKSTGPIYHJ-RTBURBONSA-N -1 3 390.491 3.421 20 0 GGADHM CC(C)(C)[C@H](NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573823479 949834600 /nfs/dbraw/zinc/83/46/00/949834600.db2.gz XLSXKKSTGPIYHJ-RTBURBONSA-N -1 3 390.491 3.421 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573823790 949834712 /nfs/dbraw/zinc/83/47/12/949834712.db2.gz YPJFXCJVZLTMTL-SFHVURJKSA-N -1 3 378.480 3.496 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573823790 949834729 /nfs/dbraw/zinc/83/47/29/949834729.db2.gz YPJFXCJVZLTMTL-SFHVURJKSA-N -1 3 378.480 3.496 20 0 GGADHM CC(C)(C)C1CCC(CNS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)CC1 ZINC001573823907 949845872 /nfs/dbraw/zinc/84/58/72/949845872.db2.gz BDVYOTYGNRJLFY-UHFFFAOYSA-N -1 3 397.570 3.200 20 0 GGADHM C[C@H]1CCCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576177673 949856717 /nfs/dbraw/zinc/85/67/17/949856717.db2.gz AIANIMGRDALDFP-RRQGHBQHSA-N -1 3 396.474 3.282 20 0 GGADHM C[C@H]1CCCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576177673 949856739 /nfs/dbraw/zinc/85/67/39/949856739.db2.gz AIANIMGRDALDFP-RRQGHBQHSA-N -1 3 396.474 3.282 20 0 GGADHM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001576177870 949867835 /nfs/dbraw/zinc/86/78/35/949867835.db2.gz CRFHAJHDRAXZCX-ZBEGNZNMSA-N -1 3 382.855 3.359 20 0 GGADHM CC(C)C[C@H](CCO)CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001574142995 949882348 /nfs/dbraw/zinc/88/23/48/949882348.db2.gz DQKMVKKJIGINRL-JTQLQIEISA-N -1 3 375.370 3.481 20 0 GGADHM CC(C)C[C@H](CCO)CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001574142995 949882371 /nfs/dbraw/zinc/88/23/71/949882371.db2.gz DQKMVKKJIGINRL-JTQLQIEISA-N -1 3 375.370 3.481 20 0 GGADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2csc(-c3nnn[n-]3)c2)ccn1 ZINC001574143425 949893048 /nfs/dbraw/zinc/89/30/48/949893048.db2.gz HMZOUQVJNCZZNI-LBPRGKRZSA-N -1 3 386.481 3.067 20 0 GGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Br ZINC001573825970 949895869 /nfs/dbraw/zinc/89/58/69/949895869.db2.gz CWZDCLBGWXBEIH-GWCFXTLKSA-N -1 3 395.305 3.277 20 0 GGADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Br ZINC001573825970 949895887 /nfs/dbraw/zinc/89/58/87/949895887.db2.gz CWZDCLBGWXBEIH-GWCFXTLKSA-N -1 3 395.305 3.277 20 0 GGADHM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573826568 949906880 /nfs/dbraw/zinc/90/68/80/949906880.db2.gz HPMKUKHBVMVRJF-KRWDZBQOSA-N -1 3 391.475 3.497 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573827205 949915848 /nfs/dbraw/zinc/91/58/48/949915848.db2.gz KZLPSLORJCQALZ-BLLLJJGKSA-N -1 3 395.504 3.137 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573827205 949915873 /nfs/dbraw/zinc/91/58/73/949915873.db2.gz KZLPSLORJCQALZ-BLLLJJGKSA-N -1 3 395.504 3.137 20 0 GGADHM CC(C)(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573828310 949936612 /nfs/dbraw/zinc/93/66/12/949936612.db2.gz QJRZWPSGRWIJGM-TZMCWYRMSA-N -1 3 383.905 3.013 20 0 GGADHM CC(C)(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573828310 949936618 /nfs/dbraw/zinc/93/66/18/949936618.db2.gz QJRZWPSGRWIJGM-TZMCWYRMSA-N -1 3 383.905 3.013 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(C(=O)OCc2ccccc2)[nH]1)c1ccc(F)cc1 ZINC001595277377 949936741 /nfs/dbraw/zinc/93/67/41/949936741.db2.gz DMRDXMHOLDXCBL-LJQANCHMSA-N -1 3 382.391 3.426 20 0 GGADHM CC(C)(C)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573828304 949936954 /nfs/dbraw/zinc/93/69/54/949936954.db2.gz QJRZWPSGRWIJGM-GXTWGEPZSA-N -1 3 383.905 3.013 20 0 GGADHM CC(C)(C)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573828304 949936973 /nfs/dbraw/zinc/93/69/73/949936973.db2.gz QJRZWPSGRWIJGM-GXTWGEPZSA-N -1 3 383.905 3.013 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000237141761 949952741 /nfs/dbraw/zinc/95/27/41/949952741.db2.gz BBXPGABQCNPZGH-UHFFFAOYSA-N -1 3 378.831 3.235 20 0 GGADHM Cc1cc(F)ccc1-c1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1F ZINC000237141959 949952798 /nfs/dbraw/zinc/95/27/98/949952798.db2.gz WOIIARZAQVOFCY-UHFFFAOYSA-N -1 3 376.403 3.029 20 0 GGADHM CC(C)C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001574148064 949971465 /nfs/dbraw/zinc/97/14/65/949971465.db2.gz JXVBYKFGPMOUJC-BLIJAFNYSA-N -1 3 399.495 3.000 20 0 GGADHM CC(C)C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001574148064 949971481 /nfs/dbraw/zinc/97/14/81/949971481.db2.gz JXVBYKFGPMOUJC-BLIJAFNYSA-N -1 3 399.495 3.000 20 0 GGADHM C[C@@H]1CCCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576181058 949987180 /nfs/dbraw/zinc/98/71/80/949987180.db2.gz RWLKVCKSJAQKMQ-XOKHGSTOSA-N -1 3 396.474 3.282 20 0 GGADHM C[C@@H]1CCCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576181058 949987199 /nfs/dbraw/zinc/98/71/99/949987199.db2.gz RWLKVCKSJAQKMQ-XOKHGSTOSA-N -1 3 396.474 3.282 20 0 GGADHM O=C([O-])CCCCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000238155061 949994599 /nfs/dbraw/zinc/99/45/99/949994599.db2.gz YCIMHNBLEUBJFL-SFHVURJKSA-N -1 3 386.414 3.202 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@H]1CC=CCC1 ZINC001576181659 950010123 /nfs/dbraw/zinc/01/01/23/950010123.db2.gz VUMHARZRFBIMSZ-CVEARBPZSA-N -1 3 390.495 3.470 20 0 GGADHM C[C@@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@H]1CC=CCC1 ZINC001576181659 950010145 /nfs/dbraw/zinc/01/01/45/950010145.db2.gz VUMHARZRFBIMSZ-CVEARBPZSA-N -1 3 390.495 3.470 20 0 GGADHM CC(C)(C)CC[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001573842523 950148825 /nfs/dbraw/zinc/14/88/25/950148825.db2.gz GBPAQBSHMITHSK-LBPRGKRZSA-N -1 3 393.513 3.195 20 0 GGADHM CC(C)(C)CC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001573842644 950152780 /nfs/dbraw/zinc/15/27/80/950152780.db2.gz JPPNUZHUACEZPN-GFCCVEGCSA-N -1 3 393.513 3.195 20 0 GGADHM CC(C)(C)CC[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001573842644 950152793 /nfs/dbraw/zinc/15/27/93/950152793.db2.gz JPPNUZHUACEZPN-GFCCVEGCSA-N -1 3 393.513 3.195 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)C(F)(F)F ZINC001573843034 950166334 /nfs/dbraw/zinc/16/63/34/950166334.db2.gz PEQCFEQYWMXFMJ-KGLIPLIRSA-N -1 3 396.417 3.000 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)C(F)(F)F ZINC001573843034 950166344 /nfs/dbraw/zinc/16/63/44/950166344.db2.gz PEQCFEQYWMXFMJ-KGLIPLIRSA-N -1 3 396.417 3.000 20 0 GGADHM CC(C)(C)C[C@@H](NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)C(F)(F)F ZINC001573843035 950166811 /nfs/dbraw/zinc/16/68/11/950166811.db2.gz PEQCFEQYWMXFMJ-UONOGXRCSA-N -1 3 396.417 3.000 20 0 GGADHM CC(C)(C)C[C@@H](NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)C(F)(F)F ZINC001573843035 950166821 /nfs/dbraw/zinc/16/68/21/950166821.db2.gz PEQCFEQYWMXFMJ-UONOGXRCSA-N -1 3 396.417 3.000 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)co1 ZINC001573850267 950269316 /nfs/dbraw/zinc/26/93/16/950269316.db2.gz IDUOYIXERFLNMC-PLNGDYQASA-N -1 3 399.382 3.206 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)co1 ZINC001573850267 950269342 /nfs/dbraw/zinc/26/93/42/950269342.db2.gz IDUOYIXERFLNMC-PLNGDYQASA-N -1 3 399.382 3.206 20 0 GGADHM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000263128910 950281903 /nfs/dbraw/zinc/28/19/03/950281903.db2.gz LKLIYMGPVRGQJI-PKOBYXMFSA-N -1 3 376.472 3.284 20 0 GGADHM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000263128907 950282630 /nfs/dbraw/zinc/28/26/30/950282630.db2.gz LKLIYMGPVRGQJI-HKUYNNGSSA-N -1 3 376.472 3.284 20 0 GGADHM CC(C)(C)OC(=O)[C@H](NCCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC001573851414 950292395 /nfs/dbraw/zinc/29/23/95/950292395.db2.gz XTRNRKCYOJWLBB-GOSISDBHSA-N -1 3 397.454 3.221 20 0 GGADHM CC(C)(C)OC(=O)[C@H](NCCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001573851414 950292430 /nfs/dbraw/zinc/29/24/30/950292430.db2.gz XTRNRKCYOJWLBB-GOSISDBHSA-N -1 3 397.454 3.221 20 0 GGADHM C[C@H]1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1(C)C ZINC001576193281 950293856 /nfs/dbraw/zinc/29/38/56/950293856.db2.gz UJBPDJIXEQFLNM-AWEZNQCLSA-N -1 3 388.541 3.178 20 0 GGADHM C[C@H]1CCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1(C)C ZINC001576193281 950293875 /nfs/dbraw/zinc/29/38/75/950293875.db2.gz UJBPDJIXEQFLNM-AWEZNQCLSA-N -1 3 388.541 3.178 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000263322858 950367772 /nfs/dbraw/zinc/36/77/72/950367772.db2.gz JXNPFCUAWUNKQI-KUDFPVQQSA-N -1 3 398.528 3.265 20 0 GGADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1F ZINC001574506125 950427825 /nfs/dbraw/zinc/42/78/25/950427825.db2.gz BNVZMYQRXKEBJR-SNVBAGLBSA-N -1 3 375.354 3.094 20 0 GGADHM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1F ZINC001574506125 950427837 /nfs/dbraw/zinc/42/78/37/950427837.db2.gz BNVZMYQRXKEBJR-SNVBAGLBSA-N -1 3 375.354 3.094 20 0 GGADHM CC1(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CCCCCC1 ZINC001575614651 950541721 /nfs/dbraw/zinc/54/17/21/950541721.db2.gz LGHKZGIYFJRCSC-UHFFFAOYSA-N -1 3 379.468 3.411 20 0 GGADHM CC1(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CCCCCC1 ZINC001575614651 950541746 /nfs/dbraw/zinc/54/17/46/950541746.db2.gz LGHKZGIYFJRCSC-UHFFFAOYSA-N -1 3 379.468 3.411 20 0 GGADHM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001574997428 950543145 /nfs/dbraw/zinc/54/31/45/950543145.db2.gz UWHSYEXEISPRSL-CYBMUJFWSA-N -1 3 383.427 3.327 20 0 GGADHM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001574997428 950543160 /nfs/dbraw/zinc/54/31/60/950543160.db2.gz UWHSYEXEISPRSL-CYBMUJFWSA-N -1 3 383.427 3.327 20 0 GGADHM CC(C)([C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001602846226 971677515 /nfs/dbraw/zinc/67/75/15/971677515.db2.gz JEGAAONNEBJDGG-VBQJREDUSA-N -1 3 380.435 3.107 20 0 GGADHM CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2)CC1 ZINC001576213459 950627259 /nfs/dbraw/zinc/62/72/59/950627259.db2.gz AICDQVPRAZTNDW-UHFFFAOYSA-N -1 3 380.427 3.494 20 0 GGADHM CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2)CC1 ZINC001576213459 950627274 /nfs/dbraw/zinc/62/72/74/950627274.db2.gz AICDQVPRAZTNDW-UHFFFAOYSA-N -1 3 380.427 3.494 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(C)c2)CC1 ZINC001589744165 950643766 /nfs/dbraw/zinc/64/37/66/950643766.db2.gz CIJSPRHWZSMLEC-FQEVSTJZSA-N -1 3 396.491 3.084 20 0 GGADHM CC1(C)[C@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575623191 950646996 /nfs/dbraw/zinc/64/69/96/950646996.db2.gz IYXJCUYRGMUAET-KRWDZBQOSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)[C@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575623191 950647013 /nfs/dbraw/zinc/64/70/13/950647013.db2.gz IYXJCUYRGMUAET-KRWDZBQOSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575623896 950655884 /nfs/dbraw/zinc/65/58/84/950655884.db2.gz LNFKXAGWVUDKQU-QGZVFWFLSA-N -1 3 379.439 3.343 20 0 GGADHM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575623896 950655908 /nfs/dbraw/zinc/65/59/08/950655908.db2.gz LNFKXAGWVUDKQU-QGZVFWFLSA-N -1 3 379.439 3.343 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NCCNc2ccccc2)cc1-c1nnn[n-]1 ZINC001573876194 950664440 /nfs/dbraw/zinc/66/44/40/950664440.db2.gz DUKKINBCEDTVKP-UHFFFAOYSA-N -1 3 395.467 3.278 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NCCNc2ccccc2)cc1-c1nn[n-]n1 ZINC001573876194 950664448 /nfs/dbraw/zinc/66/44/48/950664448.db2.gz DUKKINBCEDTVKP-UHFFFAOYSA-N -1 3 395.467 3.278 20 0 GGADHM C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(C4CC4)c(-c4nnn[n-]4)c3)ccn2)C1 ZINC001576214294 950665480 /nfs/dbraw/zinc/66/54/80/950665480.db2.gz OQWDCLTXUCJNJB-CYBMUJFWSA-N -1 3 389.463 3.238 20 0 GGADHM C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(C4CC4)c(-c4nn[n-]n4)c3)ccn2)C1 ZINC001576214294 950665491 /nfs/dbraw/zinc/66/54/91/950665491.db2.gz OQWDCLTXUCJNJB-CYBMUJFWSA-N -1 3 389.463 3.238 20 0 GGADHM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001574519108 950669476 /nfs/dbraw/zinc/66/94/76/950669476.db2.gz BAPRQONYZIMNLA-SNVBAGLBSA-N -1 3 387.802 3.051 20 0 GGADHM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001574519108 950669485 /nfs/dbraw/zinc/66/94/85/950669485.db2.gz BAPRQONYZIMNLA-SNVBAGLBSA-N -1 3 387.802 3.051 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)C2Cc3ccccc3C2)cc1-c1nnn[n-]1 ZINC001573876391 950671905 /nfs/dbraw/zinc/67/19/05/950671905.db2.gz NWNDIZGEQNOTFK-UHFFFAOYSA-N -1 3 377.448 3.398 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)C2Cc3ccccc3C2)cc1-c1nn[n-]n1 ZINC001573876391 950671923 /nfs/dbraw/zinc/67/19/23/950671923.db2.gz NWNDIZGEQNOTFK-UHFFFAOYSA-N -1 3 377.448 3.398 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)COCCc2ccccc2)cc1-c1nnn[n-]1 ZINC001573876533 950676575 /nfs/dbraw/zinc/67/65/75/950676575.db2.gz PLTCFJGZKKSCCB-UHFFFAOYSA-N -1 3 395.463 3.242 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)COCCc2ccccc2)cc1-c1nn[n-]n1 ZINC001573876533 950676592 /nfs/dbraw/zinc/67/65/92/950676592.db2.gz PLTCFJGZKKSCCB-UHFFFAOYSA-N -1 3 395.463 3.242 20 0 GGADHM CC1CCN(c2ccc(C(=O)N(C)Cc3cc(-c4nnn[n-]4)cs3)cc2)CC1 ZINC001576214611 950680107 /nfs/dbraw/zinc/68/01/07/950680107.db2.gz QWGHNVZHDIYGTG-UHFFFAOYSA-N -1 3 396.520 3.437 20 0 GGADHM CC1CCN(c2ccc(C(=O)N(C)Cc3cc(-c4nn[n-]n4)cs3)cc2)CC1 ZINC001576214611 950680119 /nfs/dbraw/zinc/68/01/19/950680119.db2.gz QWGHNVZHDIYGTG-UHFFFAOYSA-N -1 3 396.520 3.437 20 0 GGADHM CC1(C)[C@@H](NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1OCc1ccccc1 ZINC001575625664 950692173 /nfs/dbraw/zinc/69/21/73/950692173.db2.gz UKBKYRYFGNVWKJ-ROUUACIJSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@@H](NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1OCc1ccccc1 ZINC001575625664 950692182 /nfs/dbraw/zinc/69/21/82/950692182.db2.gz UKBKYRYFGNVWKJ-ROUUACIJSA-N -1 3 395.438 3.120 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3CC(C)(C)CO3)c2-c2nnn[n-]2)C1 ZINC001576215190 950692231 /nfs/dbraw/zinc/69/22/31/950692231.db2.gz DQVAFMFFAWLZNK-GHMZBOCLSA-N -1 3 375.498 3.197 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3CC(C)(C)CO3)c2-c2nn[n-]n2)C1 ZINC001576215190 950692238 /nfs/dbraw/zinc/69/22/38/950692238.db2.gz DQVAFMFFAWLZNK-GHMZBOCLSA-N -1 3 375.498 3.197 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)[C@H]1CCCO1 ZINC001574519762 950694941 /nfs/dbraw/zinc/69/49/41/950694941.db2.gz HXZMTGKPBKGRNP-SUMWQHHRSA-N -1 3 394.435 3.198 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)[C@H]1CCCO1 ZINC001574519762 950694959 /nfs/dbraw/zinc/69/49/59/950694959.db2.gz HXZMTGKPBKGRNP-SUMWQHHRSA-N -1 3 394.435 3.198 20 0 GGADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001576215814 950709076 /nfs/dbraw/zinc/70/90/76/950709076.db2.gz GJUCNXHLSSYYBU-APPDUMDISA-N -1 3 395.467 3.072 20 0 GGADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001576215814 950709088 /nfs/dbraw/zinc/70/90/88/950709088.db2.gz GJUCNXHLSSYYBU-APPDUMDISA-N -1 3 395.467 3.072 20 0 GGADHM C[C@@H](CC(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CCCCC1 ZINC001574520064 950712548 /nfs/dbraw/zinc/71/25/48/950712548.db2.gz KYLYYKBJVFCDDC-AWEZNQCLSA-N -1 3 394.483 3.052 20 0 GGADHM C[C@@H](CC(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CCCCC1 ZINC001574520064 950712566 /nfs/dbraw/zinc/71/25/66/950712566.db2.gz KYLYYKBJVFCDDC-AWEZNQCLSA-N -1 3 394.483 3.052 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CCC2(C)CC2)C1 ZINC001576216048 950724821 /nfs/dbraw/zinc/72/48/21/950724821.db2.gz YCJUHFHQQCASRS-CQSZACIVSA-N -1 3 378.484 3.162 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CCC2(C)CC2)C1 ZINC001576216048 950724840 /nfs/dbraw/zinc/72/48/40/950724840.db2.gz YCJUHFHQQCASRS-CQSZACIVSA-N -1 3 378.484 3.162 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574520478 950733721 /nfs/dbraw/zinc/73/37/21/950733721.db2.gz SPTYGIQPLRJKNW-SECBINFHSA-N -1 3 381.314 3.491 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574520478 950733735 /nfs/dbraw/zinc/73/37/35/950733735.db2.gz SPTYGIQPLRJKNW-SECBINFHSA-N -1 3 381.314 3.491 20 0 GGADHM C[C@H](CC(=O)c1ccco1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001574520588 950737645 /nfs/dbraw/zinc/73/76/45/950737645.db2.gz VEWUAMHAKSAEMN-MRVPVSSYSA-N -1 3 394.218 3.158 20 0 GGADHM C[C@H](CC(=O)c1ccco1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001574520588 950737654 /nfs/dbraw/zinc/73/76/54/950737654.db2.gz VEWUAMHAKSAEMN-MRVPVSSYSA-N -1 3 394.218 3.158 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573881829 950756217 /nfs/dbraw/zinc/75/62/17/950756217.db2.gz ICMCXCDWNGRAFM-UHFFFAOYSA-N -1 3 392.507 3.249 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573881829 950756233 /nfs/dbraw/zinc/75/62/33/950756233.db2.gz ICMCXCDWNGRAFM-UHFFFAOYSA-N -1 3 392.507 3.249 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)COC(F)(F)F)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576217291 950756666 /nfs/dbraw/zinc/75/66/66/950756666.db2.gz LUHKADIEIZJPGM-RQJHMYQMSA-N -1 3 375.376 3.089 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)COC(F)(F)F)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576217291 950756676 /nfs/dbraw/zinc/75/66/76/950756676.db2.gz LUHKADIEIZJPGM-RQJHMYQMSA-N -1 3 375.376 3.089 20 0 GGADHM CC(C)(C)c1ccc(CCC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001573881952 950757971 /nfs/dbraw/zinc/75/79/71/950757971.db2.gz LGHXLNKZKRFJCO-FQEVSTJZSA-N -1 3 389.503 3.380 20 0 GGADHM CC(C)(C)c1ccc(CCC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001573881952 950757985 /nfs/dbraw/zinc/75/79/85/950757985.db2.gz LGHXLNKZKRFJCO-FQEVSTJZSA-N -1 3 389.503 3.380 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2nc(-c3cccs3)no2)n1 ZINC001573882119 950769733 /nfs/dbraw/zinc/76/97/33/950769733.db2.gz SRWQHXNQPJKBCN-UHFFFAOYSA-N -1 3 383.437 3.250 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2nc(-c3cccs3)no2)n1 ZINC001573882119 950769752 /nfs/dbraw/zinc/76/97/52/950769752.db2.gz SRWQHXNQPJKBCN-UHFFFAOYSA-N -1 3 383.437 3.250 20 0 GGADHM CC(C)(C)c1ccc(C2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCC2)cc1 ZINC001573882184 950775159 /nfs/dbraw/zinc/77/51/59/950775159.db2.gz WQVSNKSUYRPZRW-UHFFFAOYSA-N -1 3 378.480 3.344 20 0 GGADHM CC(C)(C)c1ccc(C2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCC2)cc1 ZINC001573882184 950775184 /nfs/dbraw/zinc/77/51/84/950775184.db2.gz WQVSNKSUYRPZRW-UHFFFAOYSA-N -1 3 378.480 3.344 20 0 GGADHM C[C@H]1CCc2sc(NC(=O)c3ncc4n3CCCC4)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576217965 950776758 /nfs/dbraw/zinc/77/67/58/950776758.db2.gz PQTWDFHCJSDTTD-QWRGUYRKSA-N -1 3 397.508 3.399 20 0 GGADHM C[C@H]1CCc2sc(NC(=O)c3ncc4n3CCCC4)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576217965 950776772 /nfs/dbraw/zinc/77/67/72/950776772.db2.gz PQTWDFHCJSDTTD-QWRGUYRKSA-N -1 3 397.508 3.399 20 0 GGADHM CC(C)CC[C@@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574184963 950789144 /nfs/dbraw/zinc/78/91/44/950789144.db2.gz PXRAJSNOGJRWQC-OAHLLOKOSA-N -1 3 393.495 3.428 20 0 GGADHM CC(C)CC[C@@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574184963 950789165 /nfs/dbraw/zinc/78/91/65/950789165.db2.gz PXRAJSNOGJRWQC-OAHLLOKOSA-N -1 3 393.495 3.428 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)CCc3cc(F)ccc3F)c(-c3nnn[n-]3)cc2C1 ZINC001576219776 950814945 /nfs/dbraw/zinc/81/49/45/950814945.db2.gz UPWOECLDEKTRHO-LLVKDONJSA-N -1 3 398.417 3.236 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)CCc3cc(F)ccc3F)c(-c3nn[n-]n3)cc2C1 ZINC001576219776 950814967 /nfs/dbraw/zinc/81/49/67/950814967.db2.gz UPWOECLDEKTRHO-LLVKDONJSA-N -1 3 398.417 3.236 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576220175 950824659 /nfs/dbraw/zinc/82/46/59/950824659.db2.gz VXVLDVADZSXBLM-ZMZPIMSZSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576220175 950824677 /nfs/dbraw/zinc/82/46/77/950824677.db2.gz VXVLDVADZSXBLM-ZMZPIMSZSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)C[C@H](C)CC3)[C@H]1c1ccccc1 ZINC001576220341 950831802 /nfs/dbraw/zinc/83/18/02/950831802.db2.gz XFPBGNZANBQXHV-JSVGYJQLSA-N -1 3 388.475 3.375 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)C[C@H](C)CC3)[C@H]1c1ccccc1 ZINC001576220341 950831827 /nfs/dbraw/zinc/83/18/27/950831827.db2.gz XFPBGNZANBQXHV-JSVGYJQLSA-N -1 3 388.475 3.375 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)C[C@H](C)CC3)[C@@H]1c1ccccc1 ZINC001576220345 950833665 /nfs/dbraw/zinc/83/36/65/950833665.db2.gz XFPBGNZANBQXHV-MTZMYHNQSA-N -1 3 388.475 3.375 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)C[C@H](C)CC3)[C@@H]1c1ccccc1 ZINC001576220345 950833688 /nfs/dbraw/zinc/83/36/88/950833688.db2.gz XFPBGNZANBQXHV-MTZMYHNQSA-N -1 3 388.475 3.375 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c2-c2nnn[n-]2)C1 ZINC001576220866 950836028 /nfs/dbraw/zinc/83/60/28/950836028.db2.gz XLWZZAUOSWLFFK-DDTOSNHZSA-N -1 3 380.477 3.190 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c2-c2nn[n-]n2)C1 ZINC001576220866 950836051 /nfs/dbraw/zinc/83/60/51/950836051.db2.gz XLWZZAUOSWLFFK-DDTOSNHZSA-N -1 3 380.477 3.190 20 0 GGADHM CC(C)(C)c1ncc(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)s1 ZINC001573885861 950836528 /nfs/dbraw/zinc/83/65/28/950836528.db2.gz VWZPAMQZUNMKFX-LSDHHAIUSA-N -1 3 383.477 3.468 20 0 GGADHM CC(C)(C)c1ncc(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)s1 ZINC001573885861 950836555 /nfs/dbraw/zinc/83/65/55/950836555.db2.gz VWZPAMQZUNMKFX-LSDHHAIUSA-N -1 3 383.477 3.468 20 0 GGADHM CC(C)(C)c1nc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cs1 ZINC001573885834 950840056 /nfs/dbraw/zinc/84/00/56/950840056.db2.gz VHLUKQPBINLNLL-JKSUJKDBSA-N -1 3 396.520 3.083 20 0 GGADHM CC(C)(C)c1nc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cs1 ZINC001573885834 950840084 /nfs/dbraw/zinc/84/00/84/950840084.db2.gz VHLUKQPBINLNLL-JKSUJKDBSA-N -1 3 396.520 3.083 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)c3ncc4c(F)cccn43)c2-c2nnn[n-]2)C1 ZINC001576220998 950840856 /nfs/dbraw/zinc/84/08/56/950840856.db2.gz YQWIXKRQJZOTPJ-VIFPVBQESA-N -1 3 397.439 3.092 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)c3ncc4c(F)cccn43)c2-c2nn[n-]n2)C1 ZINC001576220998 950840879 /nfs/dbraw/zinc/84/08/79/950840879.db2.gz YQWIXKRQJZOTPJ-VIFPVBQESA-N -1 3 397.439 3.092 20 0 GGADHM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)cc2F)CO1 ZINC001575639198 950858045 /nfs/dbraw/zinc/85/80/45/950858045.db2.gz PJPFJXJLEFVLSM-INIZCTEOSA-N -1 3 395.438 3.216 20 0 GGADHM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)cc2F)CO1 ZINC001575639198 950858063 /nfs/dbraw/zinc/85/80/63/950858063.db2.gz PJPFJXJLEFVLSM-INIZCTEOSA-N -1 3 395.438 3.216 20 0 GGADHM CC1(C)C[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCS1 ZINC001575639884 950878422 /nfs/dbraw/zinc/87/84/22/950878422.db2.gz CKIAFSJGEPYXLP-JTQLQIEISA-N -1 3 398.439 3.264 20 0 GGADHM CC1(C)C[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCS1 ZINC001575639884 950878430 /nfs/dbraw/zinc/87/84/30/950878430.db2.gz CKIAFSJGEPYXLP-JTQLQIEISA-N -1 3 398.439 3.264 20 0 GGADHM CC1(C)C[C@@]1(CNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccccc1 ZINC001575641411 950918656 /nfs/dbraw/zinc/91/86/56/950918656.db2.gz PQLOUTNYKURYPF-JOCHJYFZSA-N -1 3 386.459 3.446 20 0 GGADHM CC1(C)C[C@@]1(CNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccccc1 ZINC001575641411 950918676 /nfs/dbraw/zinc/91/86/76/950918676.db2.gz PQLOUTNYKURYPF-JOCHJYFZSA-N -1 3 386.459 3.446 20 0 GGADHM CC1(C)C[C@]1(CNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccccc1 ZINC001575641412 950919198 /nfs/dbraw/zinc/91/91/98/950919198.db2.gz PQLOUTNYKURYPF-QFIPXVFZSA-N -1 3 386.459 3.446 20 0 GGADHM CC1(C)C[C@]1(CNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccccc1 ZINC001575641412 950919216 /nfs/dbraw/zinc/91/92/16/950919216.db2.gz PQLOUTNYKURYPF-QFIPXVFZSA-N -1 3 386.459 3.446 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575937103 950937901 /nfs/dbraw/zinc/93/79/01/950937901.db2.gz CIYGSXROIJCXES-WCQYABFASA-N -1 3 385.269 3.407 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575937103 950937923 /nfs/dbraw/zinc/93/79/23/950937923.db2.gz CIYGSXROIJCXES-WCQYABFASA-N -1 3 385.269 3.407 20 0 GGADHM CC(C)(CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC001573896626 950945323 /nfs/dbraw/zinc/94/53/23/950945323.db2.gz ISLAQIMREJWIBX-UHFFFAOYSA-N -1 3 379.439 3.479 20 0 GGADHM CC(C)(CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC001573896626 950945343 /nfs/dbraw/zinc/94/53/43/950945343.db2.gz ISLAQIMREJWIBX-UHFFFAOYSA-N -1 3 379.439 3.479 20 0 GGADHM CC(C)(CC(F)(F)F)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573899518 950978439 /nfs/dbraw/zinc/97/84/39/950978439.db2.gz BODNPNKBOYNOSF-UHFFFAOYSA-N -1 3 392.179 3.090 20 0 GGADHM CC(C)(CC(F)(F)F)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573899518 950978456 /nfs/dbraw/zinc/97/84/56/950978456.db2.gz BODNPNKBOYNOSF-UHFFFAOYSA-N -1 3 392.179 3.090 20 0 GGADHM CC(C)CCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001574195482 950988622 /nfs/dbraw/zinc/98/86/22/950988622.db2.gz PTKRAOSTFUJYOJ-UHFFFAOYSA-N -1 3 392.471 3.039 20 0 GGADHM CC(C)CCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001574195482 950988635 /nfs/dbraw/zinc/98/86/35/950988635.db2.gz PTKRAOSTFUJYOJ-UHFFFAOYSA-N -1 3 392.471 3.039 20 0 GGADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC001575017550 951000177 /nfs/dbraw/zinc/00/01/77/951000177.db2.gz LESXFWVPDBLPOA-LLVKDONJSA-N -1 3 386.253 3.163 20 0 GGADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC001575017550 951000199 /nfs/dbraw/zinc/00/01/99/951000199.db2.gz LESXFWVPDBLPOA-LLVKDONJSA-N -1 3 386.253 3.163 20 0 GGADHM O=C([O-])CC1(NCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CCOCC1 ZINC001594984873 951015605 /nfs/dbraw/zinc/01/56/05/951015605.db2.gz XJUKWCBSMXVDEI-UHFFFAOYSA-N -1 3 399.472 3.177 20 0 GGADHM O=C([O-])CC1([NH2+]Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CCOCC1 ZINC001594984873 951015615 /nfs/dbraw/zinc/01/56/15/951015615.db2.gz XJUKWCBSMXVDEI-UHFFFAOYSA-N -1 3 399.472 3.177 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1C ZINC001591427108 951142326 /nfs/dbraw/zinc/14/23/26/951142326.db2.gz ZWHQFKCFOYUJNO-YPMHNXCESA-N -1 3 396.509 3.380 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001595013149 951276226 /nfs/dbraw/zinc/27/62/26/951276226.db2.gz YXELXZXJNBACQK-MSOLQXFVSA-N -1 3 394.462 3.247 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001595013151 951277101 /nfs/dbraw/zinc/27/71/01/951277101.db2.gz YXELXZXJNBACQK-ROUUACIJSA-N -1 3 394.462 3.247 20 0 GGADHM CCOc1c(Cl)cccc1CN1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592009671 951292259 /nfs/dbraw/zinc/29/22/59/951292259.db2.gz UZBZCKOONSMWCK-HUUCEWRRSA-N -1 3 377.872 3.163 20 0 GGADHM CCOc1c(Cl)cccc1CN1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592009666 951292570 /nfs/dbraw/zinc/29/25/70/951292570.db2.gz UZBZCKOONSMWCK-CABCVRRESA-N -1 3 377.872 3.163 20 0 GGADHM CCOc1c(Cl)cccc1CN1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001592009673 951292948 /nfs/dbraw/zinc/29/29/48/951292948.db2.gz UZBZCKOONSMWCK-LSDHHAIUSA-N -1 3 377.872 3.163 20 0 GGADHM CCOc1cc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc(Br)c1O ZINC001592184162 951302903 /nfs/dbraw/zinc/30/29/03/951302903.db2.gz FCABWPHMULXBES-QWHCGFSZSA-N -1 3 384.270 3.096 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001602868789 971739355 /nfs/dbraw/zinc/73/93/55/971739355.db2.gz RZGDIOQIGMMYTP-OAQYLSRUSA-N -1 3 376.472 3.303 20 0 GGADHM O=C([O-])CCc1cccc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC001595067166 951565032 /nfs/dbraw/zinc/56/50/32/951565032.db2.gz YNLHRVQCCGROQT-UHFFFAOYSA-N -1 3 391.537 3.187 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000397958987 951576609 /nfs/dbraw/zinc/57/66/09/951576609.db2.gz OEBVUCWUYVNMER-OALUTQOASA-N -1 3 375.513 3.039 20 0 GGADHM C[C@@H](CNc1cc(Br)c(-c2nnn[n-]2)cc1F)c1ccncc1 ZINC001575119626 951990864 /nfs/dbraw/zinc/99/08/64/951990864.db2.gz YWKUECKIRGOIOT-VIFPVBQESA-N -1 3 377.221 3.379 20 0 GGADHM C[C@@H](CNc1cc(Br)c(-c2nn[n-]n2)cc1F)c1ccncc1 ZINC001575119626 951990875 /nfs/dbraw/zinc/99/08/75/951990875.db2.gz YWKUECKIRGOIOT-VIFPVBQESA-N -1 3 377.221 3.379 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)COCC1CCCCC1 ZINC001575177644 952402278 /nfs/dbraw/zinc/40/22/78/952402278.db2.gz MBTIWEJSTLNQTJ-CVEARBPZSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)COCC1CCCCC1 ZINC001575177644 952402284 /nfs/dbraw/zinc/40/22/84/952402284.db2.gz MBTIWEJSTLNQTJ-CVEARBPZSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@@H](COCC(F)(F)F)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001575178348 952406306 /nfs/dbraw/zinc/40/63/06/952406306.db2.gz OQHMLYZPMWTJLR-ZETCQYMHSA-N -1 3 380.168 3.009 20 0 GGADHM C[C@@H](COCC(F)(F)F)Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001575178348 952406311 /nfs/dbraw/zinc/40/63/11/952406311.db2.gz OQHMLYZPMWTJLR-ZETCQYMHSA-N -1 3 380.168 3.009 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(Cc1ccco1)c1ccccn1 ZINC001575184725 952422728 /nfs/dbraw/zinc/42/27/28/952422728.db2.gz BDXYAKRCMLRILI-HNNXBMFYSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccco1)c1ccccn1 ZINC001575184725 952422731 /nfs/dbraw/zinc/42/27/31/952422731.db2.gz BDXYAKRCMLRILI-HNNXBMFYSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001575185307 952431833 /nfs/dbraw/zinc/43/18/33/952431833.db2.gz PEDLCYMSDYUMKT-AWEZNQCLSA-N -1 3 399.882 3.236 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001575185307 952431836 /nfs/dbraw/zinc/43/18/36/952431836.db2.gz PEDLCYMSDYUMKT-AWEZNQCLSA-N -1 3 399.882 3.236 20 0 GGADHM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575187166 952437712 /nfs/dbraw/zinc/43/77/12/952437712.db2.gz AAYQAZFZRJDIHA-FASAQXTFSA-N -1 3 379.439 3.199 20 0 GGADHM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575187166 952437715 /nfs/dbraw/zinc/43/77/15/952437715.db2.gz AAYQAZFZRJDIHA-FASAQXTFSA-N -1 3 379.439 3.199 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC001575187333 952439709 /nfs/dbraw/zinc/43/97/09/952439709.db2.gz BLJFLTYGFHLRJS-AWEZNQCLSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC001575187333 952439715 /nfs/dbraw/zinc/43/97/15/952439715.db2.gz BLJFLTYGFHLRJS-AWEZNQCLSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001575188151 952446475 /nfs/dbraw/zinc/44/64/75/952446475.db2.gz HKFACFZEVUWOCV-HNNXBMFYSA-N -1 3 393.466 3.423 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001575188151 952446482 /nfs/dbraw/zinc/44/64/82/952446482.db2.gz HKFACFZEVUWOCV-HNNXBMFYSA-N -1 3 393.466 3.423 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC001575188650 952449964 /nfs/dbraw/zinc/44/99/64/952449964.db2.gz JYMSCBMAPPYHOT-GFCCVEGCSA-N -1 3 394.460 3.078 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC001575188650 952449969 /nfs/dbraw/zinc/44/99/69/952449969.db2.gz JYMSCBMAPPYHOT-GFCCVEGCSA-N -1 3 394.460 3.078 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC001575188831 952450209 /nfs/dbraw/zinc/45/02/09/952450209.db2.gz KISHJMOCJWKFDM-CQSZACIVSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC001575188831 952450211 /nfs/dbraw/zinc/45/02/11/952450211.db2.gz KISHJMOCJWKFDM-CQSZACIVSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)c1ccc2c(c1)CCO2 ZINC001575188958 952451400 /nfs/dbraw/zinc/45/14/00/952451400.db2.gz LLMDLXONEBWBTO-KGLIPLIRSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ccc2c(c1)CCO2 ZINC001575188958 952451402 /nfs/dbraw/zinc/45/14/02/952451402.db2.gz LLMDLXONEBWBTO-KGLIPLIRSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575189317 952454696 /nfs/dbraw/zinc/45/46/96/952454696.db2.gz OGKRUMDRWQELCW-JTQLQIEISA-N -1 3 393.344 3.386 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575189317 952454703 /nfs/dbraw/zinc/45/47/03/952454703.db2.gz OGKRUMDRWQELCW-JTQLQIEISA-N -1 3 393.344 3.386 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2c(s1)CCC2(C)C ZINC001575189360 952455705 /nfs/dbraw/zinc/45/57/05/952455705.db2.gz OVYINZAUWIVWNJ-LLVKDONJSA-N -1 3 382.493 3.364 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(s1)CCC2(C)C ZINC001575189360 952455708 /nfs/dbraw/zinc/45/57/08/952455708.db2.gz OVYINZAUWIVWNJ-LLVKDONJSA-N -1 3 382.493 3.364 20 0 GGADHM C[C@@](Cc1ccccc1)(NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001575189459 952457486 /nfs/dbraw/zinc/45/74/86/952457486.db2.gz PAEQPJRPUJEVNR-QFIPXVFZSA-N -1 3 384.443 3.150 20 0 GGADHM C[C@@](Cc1ccccc1)(NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001575189459 952457494 /nfs/dbraw/zinc/45/74/94/952457494.db2.gz PAEQPJRPUJEVNR-QFIPXVFZSA-N -1 3 384.443 3.150 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCc2ccccc2CC1 ZINC001575190251 952460963 /nfs/dbraw/zinc/46/09/63/952460963.db2.gz RRIMQKWRCQBQIO-INIZCTEOSA-N -1 3 389.503 3.357 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCc2ccccc2CC1 ZINC001575190251 952460969 /nfs/dbraw/zinc/46/09/69/952460969.db2.gz RRIMQKWRCQBQIO-INIZCTEOSA-N -1 3 389.503 3.357 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001575190899 952463991 /nfs/dbraw/zinc/46/39/91/952463991.db2.gz UREFZSDNDJQERN-UPRAQXHNSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001575190899 952463993 /nfs/dbraw/zinc/46/39/93/952463993.db2.gz UREFZSDNDJQERN-UPRAQXHNSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575201616 952505917 /nfs/dbraw/zinc/50/59/17/952505917.db2.gz JBKBFGAJTNPFLV-CYBMUJFWSA-N -1 3 384.509 3.180 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575201616 952505925 /nfs/dbraw/zinc/50/59/25/952505925.db2.gz JBKBFGAJTNPFLV-CYBMUJFWSA-N -1 3 384.509 3.180 20 0 GGADHM C[C@H](Cc1cccs1)N(C)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575203560 952524130 /nfs/dbraw/zinc/52/41/30/952524130.db2.gz ZWBSGCKTZGYHRM-SJKOYZFVSA-N -1 3 382.493 3.188 20 0 GGADHM C[C@H](Cc1cccs1)N(C)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575203560 952524132 /nfs/dbraw/zinc/52/41/32/952524132.db2.gz ZWBSGCKTZGYHRM-SJKOYZFVSA-N -1 3 382.493 3.188 20 0 GGADHM CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC001602904914 971843855 /nfs/dbraw/zinc/84/38/55/971843855.db2.gz GWEWZPYXGRNKRF-UHFFFAOYSA-N -1 3 398.525 3.342 20 0 GGADHM CCC(CC)(CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)C(=O)[O-] ZINC000424383986 953452676 /nfs/dbraw/zinc/45/26/76/953452676.db2.gz DHVGUZWARAMCOV-GOSISDBHSA-N -1 3 391.512 3.022 20 0 GGADHM CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000424423144 953480306 /nfs/dbraw/zinc/48/03/06/953480306.db2.gz HFABUZRTGDKAOF-GOSISDBHSA-N -1 3 375.513 3.183 20 0 GGADHM O=C([O-])c1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)s1 ZINC001594776971 953592849 /nfs/dbraw/zinc/59/28/49/953592849.db2.gz DMNOSEONBYKGDI-UHFFFAOYSA-N -1 3 396.472 3.453 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000567858214 953637462 /nfs/dbraw/zinc/63/74/62/953637462.db2.gz XPHRIQJWYGOZDE-POAQFYNOSA-N -1 3 388.508 3.324 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000576039850 953687814 /nfs/dbraw/zinc/68/78/14/953687814.db2.gz QISZRIRQYFKLKK-MJGOQNOKSA-N -1 3 396.487 3.067 20 0 GGADHM O=C([O-])c1ccnc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000623102688 953797040 /nfs/dbraw/zinc/79/70/40/953797040.db2.gz AZTVEZVHMPANRE-SFHVURJKSA-N -1 3 393.365 3.173 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN(Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000634691141 953868719 /nfs/dbraw/zinc/86/87/19/953868719.db2.gz AYUGOVJFRVBRQQ-KRWDZBQOSA-N -1 3 384.354 3.284 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635019921 953873662 /nfs/dbraw/zinc/87/36/62/953873662.db2.gz FIIQXGAJECBQJX-KSFYIVLOSA-N -1 3 398.459 3.229 20 0 GGADHM CN(CCN(Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1)Cc1ccccc1 ZINC000635302284 953876144 /nfs/dbraw/zinc/87/61/44/953876144.db2.gz IMHGBDPPLNKREE-UHFFFAOYSA-N -1 3 392.503 3.253 20 0 GGADHM Cn1nc(C(=O)[O-])cc1CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000635312695 953879912 /nfs/dbraw/zinc/87/99/12/953879912.db2.gz DDRBKTFFOOMPMA-KRWDZBQOSA-N -1 3 397.397 3.395 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(=O)[O-] ZINC000644176403 953914000 /nfs/dbraw/zinc/91/40/00/953914000.db2.gz MSOXGEUFLYWKID-RBUKOAKNSA-N -1 3 375.513 3.260 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(=O)[O-] ZINC000644176405 953914443 /nfs/dbraw/zinc/91/44/43/953914443.db2.gz MSOXGEUFLYWKID-RTBURBONSA-N -1 3 375.513 3.260 20 0 GGADHM CCC(CC)(CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(=O)[O-] ZINC000644176380 953914614 /nfs/dbraw/zinc/91/46/14/953914614.db2.gz IXKTUBKOBNNKTM-GOSISDBHSA-N -1 3 375.513 3.404 20 0 GGADHM C[C@H]1CCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001589341279 954023854 /nfs/dbraw/zinc/02/38/54/954023854.db2.gz UESRHJAHGZRDBZ-FXAWDEMLSA-N -1 3 395.503 3.118 20 0 GGADHM C[C@H]1CCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001589341280 954024391 /nfs/dbraw/zinc/02/43/91/954024391.db2.gz UESRHJAHGZRDBZ-PXNSSMCTSA-N -1 3 395.503 3.118 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652087109 954043914 /nfs/dbraw/zinc/04/39/14/954043914.db2.gz VPYPNDMDSJFYRD-HCLVMJGWSA-N -1 3 395.503 3.164 20 0 GGADHM CN(C)[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc(F)c1 ZINC001593694048 954059207 /nfs/dbraw/zinc/05/92/07/954059207.db2.gz WAEPYWFGSLFZLX-VQIMIIECSA-N -1 3 389.471 3.112 20 0 GGADHM CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000652109269 954070870 /nfs/dbraw/zinc/07/08/70/954070870.db2.gz GTOKWRLYRWMVSQ-JOCHJYFZSA-N -1 3 389.540 3.182 20 0 GGADHM Cc1ccc(Cl)c(OC[C@H](O)CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000652469880 954086005 /nfs/dbraw/zinc/08/60/05/954086005.db2.gz HNRDAVUFRQLSAG-WBVHZDCISA-N -1 3 375.852 3.072 20 0 GGADHM O=C([O-])[C@H]1CN(C[C@@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470963 954089097 /nfs/dbraw/zinc/08/90/97/954089097.db2.gz OOPJCPUJLMNYNF-ZBFHGGJFSA-N -1 3 395.377 3.129 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC001589352607 954089121 /nfs/dbraw/zinc/08/91/21/954089121.db2.gz FJXUDEVWSMWIED-IBGZPJMESA-N -1 3 382.464 3.375 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(I)cc1)c1ccc(F)cc1 ZINC001594843183 954099606 /nfs/dbraw/zinc/09/96/06/954099606.db2.gz JFOMTKCHXCSLIF-CQSZACIVSA-N -1 3 385.176 3.346 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC001589353699 954110492 /nfs/dbraw/zinc/11/04/92/954110492.db2.gz WTDVDUVNGREMQW-ZPMCFJSWSA-N -1 3 392.499 3.203 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000653323341 954149924 /nfs/dbraw/zinc/14/99/24/954149924.db2.gz QXKKAIYPDLSEKB-QFIPXVFZSA-N -1 3 380.444 3.267 20 0 GGADHM O=C([O-])C1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCCCC1 ZINC001594852015 954203883 /nfs/dbraw/zinc/20/38/83/954203883.db2.gz OMWRKVUKSKVRES-UHFFFAOYSA-N -1 3 390.446 3.333 20 0 GGADHM CC(C)[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000655859458 954241197 /nfs/dbraw/zinc/24/11/97/954241197.db2.gz LBMRWXUQVUQCSG-HOTGVXAUSA-N -1 3 381.542 3.177 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000655864916 954250422 /nfs/dbraw/zinc/25/04/22/954250422.db2.gz HRWDHIYGIPPSJE-DOMZBBRYSA-N -1 3 389.418 3.108 20 0 GGADHM C[C@H](CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000655884888 954267162 /nfs/dbraw/zinc/26/71/62/954267162.db2.gz LKEQAIGITUPYSB-GOSISDBHSA-N -1 3 383.492 3.051 20 0 GGADHM CC1CCN([C@@H](CNC(=O)NCC2(C(=O)[O-])CCC2)c2cccs2)CC1 ZINC000659392474 954319731 /nfs/dbraw/zinc/31/97/31/954319731.db2.gz GBFWVDBTIYNPHS-HNNXBMFYSA-N -1 3 379.526 3.075 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)c1ccsc1 ZINC000659753426 954353929 /nfs/dbraw/zinc/35/39/29/954353929.db2.gz KBCFWEABVXEYEM-KRWDZBQOSA-N -1 3 376.478 3.024 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)N2CCCC2)cc1 ZINC000659754559 954356710 /nfs/dbraw/zinc/35/67/10/954356710.db2.gz SIFNDPNBINUXJD-HXUWFJFHSA-N -1 3 382.460 3.025 20 0 GGADHM CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659755068 954356872 /nfs/dbraw/zinc/35/68/72/954356872.db2.gz VFJANRFJOYDQDH-YLJYHZDGSA-N -1 3 396.487 3.448 20 0 GGADHM CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659755067 954357186 /nfs/dbraw/zinc/35/71/86/954357186.db2.gz VFJANRFJOYDQDH-XLIONFOSSA-N -1 3 396.487 3.448 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC001589395473 954362811 /nfs/dbraw/zinc/36/28/11/954362811.db2.gz IYIASGZQDCYOIZ-ZNLUXHQJSA-N -1 3 392.499 3.203 20 0 GGADHM O=C([O-])CN1CC[C@H](N(Cc2ccccc2C(F)(F)F)C2CCCC2)C1=O ZINC000662207504 954380954 /nfs/dbraw/zinc/38/09/54/954380954.db2.gz YPLWOTKKPSPRHR-INIZCTEOSA-N -1 3 384.398 3.136 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593756891 954460248 /nfs/dbraw/zinc/46/02/48/954460248.db2.gz LANSNSOXTCFUOH-GOSISDBHSA-N -1 3 382.464 3.298 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593757275 954468113 /nfs/dbraw/zinc/46/81/13/954468113.db2.gz ZFMCFVFIPYVJRW-LJQANCHMSA-N -1 3 382.464 3.298 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000666513784 954545968 /nfs/dbraw/zinc/54/59/68/954545968.db2.gz CNKASZZCVCYFIN-HXUWFJFHSA-N -1 3 399.491 3.276 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000666548069 954555300 /nfs/dbraw/zinc/55/53/00/954555300.db2.gz ZILSZSNOJMSKOD-HXUWFJFHSA-N -1 3 399.491 3.274 20 0 GGADHM CN1CCN(CCCOc2ccc(NCc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001593784641 954686862 /nfs/dbraw/zinc/68/68/62/954686862.db2.gz OBHTTWPGWRNCTH-UHFFFAOYSA-N -1 3 383.492 3.013 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCC3([C@H](O)c4ccccc4)CC3)o2)C1 ZINC001594913831 954720566 /nfs/dbraw/zinc/72/05/66/954720566.db2.gz BPLBSSUYIYFVPR-YLJYHZDGSA-N -1 3 384.476 3.184 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCC3([C@@H](O)c4ccccc4)CC3)o2)C1 ZINC001594913654 954720658 /nfs/dbraw/zinc/72/06/58/954720658.db2.gz BPLBSSUYIYFVPR-PXNSSMCTSA-N -1 3 384.476 3.184 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@H]3C[C@H](O)c3ccco3)o2)C1 ZINC001594914375 954728715 /nfs/dbraw/zinc/72/87/15/954728715.db2.gz GEKDCQDCDMMJEM-RYRKJORJSA-N -1 3 388.464 3.262 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594915301 954742233 /nfs/dbraw/zinc/74/22/33/954742233.db2.gz KIUXUMOMLGOSCM-CVEARBPZSA-N -1 3 389.521 3.492 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC([C@@H]4CCCCO4)CC3)o2)C1 ZINC001594917506 954771328 /nfs/dbraw/zinc/77/13/28/954771328.db2.gz OEUDNHRDMYLCFW-MJGOQNOKSA-N -1 3 376.497 3.362 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN(CCO)[C@H]3CCCc4ccccc43)o2)C1 ZINC001594917854 954776936 /nfs/dbraw/zinc/77/69/36/954776936.db2.gz QKBATGHETYZNEH-RXVVDRJESA-N -1 3 398.503 3.453 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594918516 954781390 /nfs/dbraw/zinc/78/13/90/954781390.db2.gz UECQHNDVVGDRPK-GJZGRUSLSA-N -1 3 375.494 3.102 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCCN(Cc4ccccc4)CC3)o2)C1 ZINC001594918519 954782766 /nfs/dbraw/zinc/78/27/66/954782766.db2.gz UELDCSVFEXJEGV-FQEVSTJZSA-N -1 3 397.519 3.289 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589462503 954863867 /nfs/dbraw/zinc/86/38/67/954863867.db2.gz GNMPYLPTASEOIW-XDKFSHSGSA-N -1 3 385.464 3.321 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC[C@]3(c4ccccc4)CCCO3)o2)CC1 ZINC001594940039 954875006 /nfs/dbraw/zinc/87/50/06/954875006.db2.gz SHUXENUCICFWNB-QFIPXVFZSA-N -1 3 384.476 3.376 20 0 GGADHM CC(C)[C@H]1N(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002832 972049999 /nfs/dbraw/zinc/04/99/99/972049999.db2.gz NATWMONZLFOHPC-QFBILLFUSA-N -1 3 376.497 3.218 20 0 GGADHM CC(C)[C@@H]1N(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002831 972050051 /nfs/dbraw/zinc/05/00/51/972050051.db2.gz NATWMONZLFOHPC-LPHOPBHVSA-N -1 3 376.497 3.218 20 0 GGADHM COc1ccc([C@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N2CCCC2)cc1 ZINC000738091974 955232470 /nfs/dbraw/zinc/23/24/70/955232470.db2.gz CYOXQWQVSJXRMB-FQEVSTJZSA-N -1 3 397.475 3.281 20 0 GGADHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535926 955573862 /nfs/dbraw/zinc/57/38/62/955573862.db2.gz KPGWSHZAELKDLT-UONOGXRCSA-N -1 3 382.291 3.460 20 0 GGADHM COC(=O)c1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c2ncccc12 ZINC001593877599 955692437 /nfs/dbraw/zinc/69/24/37/955692437.db2.gz VHRFHFSTAFGFCS-IBGZPJMESA-N -1 3 376.412 3.205 20 0 GGADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc1Br ZINC001593879784 955698236 /nfs/dbraw/zinc/69/82/36/955698236.db2.gz RKFVOAHYHKNBHC-MRXNPFEDSA-N -1 3 392.249 3.460 20 0 GGADHM CC(C)N(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001603056706 972125100 /nfs/dbraw/zinc/12/51/00/972125100.db2.gz RTJYQIMLAIJAGD-FQEVSTJZSA-N -1 3 380.488 3.439 20 0 GGADHM Cn1nc(-c2ccccc2)c(CNC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1Cl ZINC001594560321 955800473 /nfs/dbraw/zinc/80/04/73/955800473.db2.gz DSXNTBQCSVAQPP-CHWWFWEZSA-N -1 3 389.883 3.243 20 0 GGADHM Cn1ncc(C(=O)[O-])c1CNc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001594583383 955992861 /nfs/dbraw/zinc/99/28/61/955992861.db2.gz PPYVODPQNJFJAZ-UHFFFAOYSA-N -1 3 382.386 3.345 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000868468448 956048041 /nfs/dbraw/zinc/04/80/41/956048041.db2.gz WMDFUVCZRSMRKN-HXUWFJFHSA-N -1 3 396.487 3.277 20 0 GGADHM O=C([O-])CN1CCC(Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000873067535 956065698 /nfs/dbraw/zinc/06/56/98/956065698.db2.gz LRZUXIHRSSQJAH-UHFFFAOYSA-N -1 3 391.884 3.072 20 0 GGADHM C[C@H](c1cccc(Br)c1)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873643925 956077221 /nfs/dbraw/zinc/07/72/21/956077221.db2.gz ACDQJUQBCGKKCW-BPLDGKMQSA-N -1 3 392.297 3.434 20 0 GGADHM C[C@H](c1cccc(Br)c1)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873643929 956078821 /nfs/dbraw/zinc/07/88/21/956078821.db2.gz ACDQJUQBCGKKCW-VHDGCEQUSA-N -1 3 392.297 3.434 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000873649940 956099608 /nfs/dbraw/zinc/09/96/08/956099608.db2.gz YSKQWMSICOLULV-UHFFFAOYSA-N -1 3 376.840 3.355 20 0 GGADHM C[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC001589128791 956183196 /nfs/dbraw/zinc/18/31/96/956183196.db2.gz NVBFNGVAXLRHSX-ZDUSSCGKSA-N -1 3 381.881 3.157 20 0 GGADHM C[C@](O)(CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1Cl ZINC001589146554 956294231 /nfs/dbraw/zinc/29/42/31/956294231.db2.gz FSLXKEVKWWCGFX-XOBRGWDASA-N -1 3 392.883 3.231 20 0 GGADHM C[C@](O)(CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccc(Cl)c1 ZINC001589147161 956303560 /nfs/dbraw/zinc/30/35/60/956303560.db2.gz PFUYCBSEQVVDCT-XOBRGWDASA-N -1 3 392.883 3.231 20 0 GGADHM O=C([O-])c1ccccc1CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000901922184 956544359 /nfs/dbraw/zinc/54/43/59/956544359.db2.gz UDBLSUJLFWJNKY-UHFFFAOYSA-N -1 3 384.501 3.157 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001593966324 956545658 /nfs/dbraw/zinc/54/56/58/956545658.db2.gz HVJZASJUSGBKHT-UZUQRXQVSA-N -1 3 396.487 3.028 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(OC)c1 ZINC000901968197 956575492 /nfs/dbraw/zinc/57/54/92/956575492.db2.gz AWVFPHWWWBYUAB-ZBTAVZRMSA-N -1 3 386.448 3.199 20 0 GGADHM CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21)N(CC)CC ZINC000902325077 956704056 /nfs/dbraw/zinc/70/40/56/956704056.db2.gz JRCDEZRSLSFEQN-UKRRQHHQSA-N -1 3 397.313 3.474 20 0 GGADHM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21)N(CC)CC ZINC000902325075 956704869 /nfs/dbraw/zinc/70/48/69/956704869.db2.gz JRCDEZRSLSFEQN-DZGCQCFKSA-N -1 3 397.313 3.474 20 0 GGADHM CN(C)Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1C(F)(F)F ZINC000902756124 956800119 /nfs/dbraw/zinc/80/01/19/956800119.db2.gz CTAWRNBDLONFGK-UHFFFAOYSA-N -1 3 396.365 3.483 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@H](C)c1ccccc1Br)C[C@@H]2C(=O)[O-] ZINC000903415886 956843105 /nfs/dbraw/zinc/84/31/05/956843105.db2.gz MACRGPYORAMICG-GRTHXDRZSA-N -1 3 396.281 3.096 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1ccc(Br)cc1)C[C@H]2C(=O)[O-] ZINC000903416059 956845625 /nfs/dbraw/zinc/84/56/25/956845625.db2.gz NWNPJFIRYQDHLZ-NMNHVASCSA-N -1 3 396.281 3.096 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1ccc(Br)cc1)C[C@@H]2C(=O)[O-] ZINC000903416061 956846433 /nfs/dbraw/zinc/84/64/33/956846433.db2.gz NWNPJFIRYQDHLZ-NODRBGPFSA-N -1 3 396.281 3.096 20 0 GGADHM CCn1cc([C@H](O)CN(Cc2ccc(C(=O)[O-])s2)Cc2ccccc2)cn1 ZINC000903685462 956865468 /nfs/dbraw/zinc/86/54/68/956865468.db2.gz TYRWISCTZLVBHK-GOSISDBHSA-N -1 3 385.489 3.399 20 0 GGADHM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc(C(=O)[O-])s2)C1=O ZINC000903689509 956867334 /nfs/dbraw/zinc/86/73/34/956867334.db2.gz IXTRSHYUKQAWSE-MLGOLLRUSA-N -1 3 376.453 3.427 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCCN(c4ccccc4)CC3)o2)CC1 ZINC000904192023 956917923 /nfs/dbraw/zinc/91/79/23/956917923.db2.gz XDWXGFZRNZRLFY-UHFFFAOYSA-N -1 3 383.492 3.293 20 0 GGADHM CCO[C@H]1C[C@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCC2 ZINC000904195091 956921650 /nfs/dbraw/zinc/92/16/50/956921650.db2.gz IVTSJDTXYFZOGR-ROUUACIJSA-N -1 3 376.497 3.360 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@H]3C[C@H](O)c3ccco3)o2)CC1 ZINC000904196414 956924229 /nfs/dbraw/zinc/92/42/29/956924229.db2.gz YPHNTVQBZHLJHF-WMZOPIPTSA-N -1 3 388.464 3.262 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@@H]3C[C@@H](O)c3ccco3)o2)CC1 ZINC000904196412 956924533 /nfs/dbraw/zinc/92/45/33/956924533.db2.gz YPHNTVQBZHLJHF-SJLPKXTDSA-N -1 3 388.464 3.262 20 0 GGADHM C[C@](O)(CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1Cl ZINC000904232094 956929972 /nfs/dbraw/zinc/92/99/72/956929972.db2.gz QOLILNYFLRRZGX-FQEVSTJZSA-N -1 3 392.883 3.231 20 0 GGADHM CN(c1ccccc1)[C@@H]1CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904254075 956945630 /nfs/dbraw/zinc/94/56/30/956945630.db2.gz UWYMNACBSJZCFY-LJQANCHMSA-N -1 3 383.492 3.291 20 0 GGADHM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000905268311 956969048 /nfs/dbraw/zinc/96/90/48/956969048.db2.gz HKPGCHGJYPYSPN-UHFFFAOYSA-N -1 3 381.476 3.476 20 0 GGADHM C[C@@H]1[C@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001589262887 957053865 /nfs/dbraw/zinc/05/38/65/957053865.db2.gz ARTRQLQJWWRWRQ-OXQOHEQNSA-N -1 3 381.476 3.488 20 0 GGADHM Cc1cc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)cc1I ZINC000923249501 957106078 /nfs/dbraw/zinc/10/60/78/957106078.db2.gz MTXAOPQUHJMNIC-YGRLFVJLSA-N -1 3 387.261 3.451 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000923470585 957120046 /nfs/dbraw/zinc/12/00/46/957120046.db2.gz MOVHFAZMLJMDJM-VBKZILBWSA-N -1 3 389.521 3.220 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000923472158 957120717 /nfs/dbraw/zinc/12/07/17/957120717.db2.gz UGOPTKBLBZFCNS-JOCHJYFZSA-N -1 3 388.508 3.201 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000923472106 957121882 /nfs/dbraw/zinc/12/18/82/957121882.db2.gz ULWACLBVIMRIKB-QGZVFWFLSA-N -1 3 398.385 3.097 20 0 GGADHM O=C([O-])[C@@H]1CN(CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C1CC1 ZINC000923527671 957124545 /nfs/dbraw/zinc/12/45/45/957124545.db2.gz IZLKFDJRSDYXBG-VQTJNVASSA-N -1 3 378.472 3.259 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001121810116 957206643 /nfs/dbraw/zinc/20/66/43/957206643.db2.gz QYQPJGUVWJKMHZ-NHCUHLMSSA-N -1 3 395.503 3.245 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC001121918633 957232731 /nfs/dbraw/zinc/23/27/31/957232731.db2.gz NUCJZFASLPYCRW-KZNAEPCWSA-N -1 3 399.516 3.497 20 0 GGADHM O=C([O-])c1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000389980276 972259034 /nfs/dbraw/zinc/25/90/34/972259034.db2.gz KIQJXHBPSDCPCJ-INIZCTEOSA-N -1 3 375.856 3.136 20 0 GGADHM Cc1cc(Br)cc(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001594271712 957681024 /nfs/dbraw/zinc/68/10/24/957681024.db2.gz MNHPOPPTAWGXDU-CABCVRRESA-N -1 3 392.297 3.181 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1ccccc1F ZINC001603192070 972293338 /nfs/dbraw/zinc/29/33/38/972293338.db2.gz FBZSMDZOCYBPDK-LSDHHAIUSA-N -1 3 376.428 3.277 20 0 GGADHM C[C@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)N(C)Cc1ccccc1 ZINC000390553864 972293358 /nfs/dbraw/zinc/29/33/58/972293358.db2.gz PSJZPACDHGTPBJ-GFCCVEGCSA-N -1 3 377.391 3.305 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1ccccc1F ZINC001603192068 972293409 /nfs/dbraw/zinc/29/34/09/972293409.db2.gz FBZSMDZOCYBPDK-GJZGRUSLSA-N -1 3 376.428 3.277 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)N1CCc2ccccc2C1 ZINC001603193221 972297329 /nfs/dbraw/zinc/29/73/29/972297329.db2.gz VMYGXZUOZLTJTJ-XLIONFOSSA-N -1 3 397.519 3.117 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001339824147 957888925 /nfs/dbraw/zinc/88/89/25/957888925.db2.gz YYWWAMHDFMQHQN-MSOLQXFVSA-N -1 3 387.505 3.135 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001339824150 957890093 /nfs/dbraw/zinc/89/00/93/957890093.db2.gz YYWWAMHDFMQHQN-ZWKOTPCHSA-N -1 3 387.505 3.135 20 0 GGADHM Cc1cc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cnc1Br ZINC001594303098 957929289 /nfs/dbraw/zinc/92/92/89/957929289.db2.gz KCXJAYAOAHPZKB-JKSUJKDBSA-N -1 3 375.266 3.453 20 0 GGADHM CN(C)C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC001340585654 957941642 /nfs/dbraw/zinc/94/16/42/957941642.db2.gz QAMMLDIRYFIFRI-FHWLQOOXSA-N -1 3 385.439 3.041 20 0 GGADHM CN(C)C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC001340585657 957941900 /nfs/dbraw/zinc/94/19/00/957941900.db2.gz QAMMLDIRYFIFRI-QYZOEREBSA-N -1 3 385.439 3.041 20 0 GGADHM CC[C@H](C)[C@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC001343648075 958040002 /nfs/dbraw/zinc/04/00/02/958040002.db2.gz LLTFFFRPENWOLK-CPCISQLKSA-N -1 3 380.080 3.196 20 0 GGADHM COc1cc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)cc(Br)c1[O-] ZINC001594058269 958057288 /nfs/dbraw/zinc/05/72/88/958057288.db2.gz JKZQDDFVAOOUFO-GOSISDBHSA-N -1 3 394.265 3.295 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc(Br)c1O ZINC001594058383 958061329 /nfs/dbraw/zinc/06/13/29/958061329.db2.gz SMYYWRAGVOQGDI-OAHLLOKOSA-N -1 3 380.238 3.387 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001352988536 958130687 /nfs/dbraw/zinc/13/06/87/958130687.db2.gz NOISEXWRCOJNGJ-YDPGBSGYSA-N -1 3 393.487 3.434 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001352988532 958131317 /nfs/dbraw/zinc/13/13/17/958131317.db2.gz NOISEXWRCOJNGJ-UWGQAIRJSA-N -1 3 393.487 3.434 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)c2ccccc21 ZINC001353156664 958152942 /nfs/dbraw/zinc/15/29/42/958152942.db2.gz TVHNTRVMVLZIPT-UXHICEINSA-N -1 3 385.508 3.207 20 0 GGADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001594096647 958410796 /nfs/dbraw/zinc/41/07/96/958410796.db2.gz LBSQCLVSWIDQDS-ZDUSSCGKSA-N -1 3 377.872 3.235 20 0 GGADHM Cc1ccc(CN2CC[C@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360352 958443967 /nfs/dbraw/zinc/44/39/67/958443967.db2.gz VQGDKJSDIGGJLG-UXHICEINSA-N -1 3 397.519 3.253 20 0 GGADHM COc1ccc(O[C@H](C)CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594107303 958479813 /nfs/dbraw/zinc/47/98/13/958479813.db2.gz HVLBWWGMJAEDSA-CVEARBPZSA-N -1 3 388.464 3.146 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406870 958735377 /nfs/dbraw/zinc/73/53/77/958735377.db2.gz HVCANTXQVUTGSE-BTYIYWSLSA-N -1 3 376.472 3.269 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CNC3CCC(C(=O)[O-])CC3)sc2C1 ZINC001573453084 958879846 /nfs/dbraw/zinc/87/98/46/958879846.db2.gz MENPQNDVJRCDHR-UHFFFAOYSA-N -1 3 395.525 3.169 20 0 GGADHM C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)CCCC(=O)[O-] ZINC001588557976 959075167 /nfs/dbraw/zinc/07/51/67/959075167.db2.gz MLERGIUNVDFPLC-CYBMUJFWSA-N -1 3 389.477 3.124 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N(C)CCCC(=O)[O-] ZINC001588560304 959094166 /nfs/dbraw/zinc/09/41/66/959094166.db2.gz IPTWVOZQEABSKH-OAHLLOKOSA-N -1 3 387.505 3.498 20 0 GGADHM CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573516755 959102039 /nfs/dbraw/zinc/10/20/39/959102039.db2.gz GVAJKNCZZICXNP-PCCBWWKXSA-N -1 3 386.536 3.289 20 0 GGADHM CC(C)N(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001573543645 959195020 /nfs/dbraw/zinc/19/50/20/959195020.db2.gz JYDHZOMWWGXLDL-FQEVSTJZSA-N -1 3 396.487 3.275 20 0 GGADHM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001594227300 959432921 /nfs/dbraw/zinc/43/29/21/959432921.db2.gz AXVVDXBKSDNPRZ-NQUSWDTJSA-N -1 3 396.462 3.021 20 0 GGADHM C[C@H](COc1c(F)cccc1F)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594233278 959489215 /nfs/dbraw/zinc/48/92/15/959489215.db2.gz VUYAWYQHOZYTDZ-ZIAGYGMSSA-N -1 3 394.418 3.416 20 0 GGADHM Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNC[C@](C)(O)C(=O)[O-] ZINC001594476682 959604806 /nfs/dbraw/zinc/60/48/06/959604806.db2.gz BDIUIMKMZWBNOZ-NRFANRHFSA-N -1 3 399.422 3.037 20 0 GGADHM CN(C)Cc1ccc(CNCc2ccccc2C(=O)[O-])c2c1OC(F)(F)O2 ZINC001604074774 972464350 /nfs/dbraw/zinc/46/43/50/972464350.db2.gz DENLDGNCENCMOD-UHFFFAOYSA-N -1 3 378.375 3.058 20 0 GGADHM O=C([O-])c1ccccc1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC001605776613 972486222 /nfs/dbraw/zinc/48/62/22/972486222.db2.gz ISJCQPXOYSXSQQ-UHFFFAOYSA-N -1 3 396.491 3.109 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2cccnc2C(=O)[O-])c2ccccc2)CC1 ZINC001573736763 960447402 /nfs/dbraw/zinc/44/74/02/960447402.db2.gz ZDPJYJMUBZRBFN-GOSISDBHSA-N -1 3 382.464 3.375 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001588666558 960454245 /nfs/dbraw/zinc/45/42/45/960454245.db2.gz DWBLMUUMZVCLAD-JKSUJKDBSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)C1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCC1 ZINC001588667991 960472945 /nfs/dbraw/zinc/47/29/45/960472945.db2.gz VZAUBOKKZYIRCK-OAHLLOKOSA-N -1 3 392.496 3.182 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN3CCC(C(=O)[O-])CC3)o2)C1 ZINC001588668001 960473010 /nfs/dbraw/zinc/47/30/10/960473010.db2.gz WCSHQSQRJOBUEY-INIZCTEOSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588668120 960475855 /nfs/dbraw/zinc/47/58/55/960475855.db2.gz XEOQNQSBODOPTR-QVKFZJNVSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588668121 960476628 /nfs/dbraw/zinc/47/66/28/960476628.db2.gz XEOQNQSBODOPTR-VFNWGFHPSA-N -1 3 392.496 3.134 20 0 GGADHM CC(C)(C)OC(=O)NC1(C)CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001138927390 960494658 /nfs/dbraw/zinc/49/46/58/960494658.db2.gz IUYAZWLZFHFHHB-UHFFFAOYSA-N -1 3 378.469 3.029 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748106 960514092 /nfs/dbraw/zinc/51/40/92/960514092.db2.gz HRMTXLGFNKHERC-JXFKEZNVSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748107 960515321 /nfs/dbraw/zinc/51/53/21/960515321.db2.gz HRMTXLGFNKHERC-OXJNMPFZSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748108 960515425 /nfs/dbraw/zinc/51/54/25/960515425.db2.gz HRMTXLGFNKHERC-OXQOHEQNSA-N -1 3 381.476 3.346 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H](N2CCC(C)(C(=O)[O-])CC2)[C@@H](O)c2ccccc21 ZINC001588675860 960542904 /nfs/dbraw/zinc/54/29/04/960542904.db2.gz DITHZDPQFQUERU-SJORKVTESA-N -1 3 390.480 3.030 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001231789116 960620597 /nfs/dbraw/zinc/62/05/97/960620597.db2.gz JVZYYTJWJQRCIH-WBVHZDCISA-N -1 3 392.496 3.133 20 0 GGADHM CN(CC1CCN(Cc2ccccc2OCC(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001231791749 960623627 /nfs/dbraw/zinc/62/36/27/960623627.db2.gz DAUUTGAEFNRQSD-UHFFFAOYSA-N -1 3 392.496 3.229 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccco1 ZINC001573776104 960681885 /nfs/dbraw/zinc/68/18/85/960681885.db2.gz HLXTTWPOGGDSDR-GDAAHCPNSA-N -1 3 399.491 3.219 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC001574307621 960749201 /nfs/dbraw/zinc/74/92/01/960749201.db2.gz DZKGERSJWSHIRM-UHFFFAOYSA-N -1 3 383.286 3.463 20 0 GGADHM Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC001574307812 960751632 /nfs/dbraw/zinc/75/16/32/960751632.db2.gz LKRSRKZNGOOYPJ-HIFRSBDPSA-N -1 3 397.313 3.214 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263629094 960875886 /nfs/dbraw/zinc/87/58/86/960875886.db2.gz QRKHFXRLUWKHPO-OAQYLSRUSA-N -1 3 386.879 3.498 20 0 GGADHM Cn1ccc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cc21 ZINC001263629528 960876218 /nfs/dbraw/zinc/87/62/18/960876218.db2.gz GCRCWSPHIGDPML-QHCPKHFHSA-N -1 3 391.471 3.028 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3cccnc3c2)CCCN(Cc2ccccc2)C1 ZINC001263629662 960876439 /nfs/dbraw/zinc/87/64/39/960876439.db2.gz KXEQKSNQUNFTKJ-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588727243 961077632 /nfs/dbraw/zinc/07/76/32/961077632.db2.gz KTYILPYKZWODOF-UAGQMJEPSA-N -1 3 392.496 3.181 20 0 GGADHM Cc1cccc(C(=O)[O-])c1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001574389813 961162654 /nfs/dbraw/zinc/16/26/54/961162654.db2.gz RWYNYEVQLJTCNA-UHFFFAOYSA-N -1 3 381.476 3.234 20 0 GGADHM CCOc1ccc(NC(=O)[C@@H](C)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001573919793 961522179 /nfs/dbraw/zinc/52/21/79/961522179.db2.gz JTCXISLPOFBCHP-UIAACRFSSA-N -1 3 382.460 3.213 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001333349485 961694891 /nfs/dbraw/zinc/69/48/91/961694891.db2.gz HHWPPWBFMGWVFG-UHFFFAOYSA-N -1 3 384.480 3.213 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3cccc(CCC(=O)[O-])c3)CC2)c1 ZINC000262475888 961742614 /nfs/dbraw/zinc/74/26/14/961742614.db2.gz HJLXBCAFAZFKIT-UHFFFAOYSA-N -1 3 395.503 3.163 20 0 GGADHM CC(C)[C@H]1N(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC12CCOCC2 ZINC001588842770 961827835 /nfs/dbraw/zinc/82/78/35/961827835.db2.gz OAIXKWZTHVHUNC-LJQANCHMSA-N -1 3 376.497 3.218 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001574557049 961995890 /nfs/dbraw/zinc/99/58/90/961995890.db2.gz YHCCUHJJAUKZME-QGZVFWFLSA-N -1 3 390.480 3.287 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC001574584616 962107399 /nfs/dbraw/zinc/10/73/99/962107399.db2.gz AKEMCYKYJIAVKB-MSOLQXFVSA-N -1 3 388.414 3.086 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(OC)c1 ZINC000263026703 962136435 /nfs/dbraw/zinc/13/64/35/962136435.db2.gz PAYVLFQDNOBFKE-FQEVSTJZSA-N -1 3 399.491 3.276 20 0 GGADHM CC[C@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001344485364 962176128 /nfs/dbraw/zinc/17/61/28/962176128.db2.gz QUAMFZCYZSHEDP-REWPJTCUSA-N -1 3 380.488 3.416 20 0 GGADHM Cc1cc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cn2c1 ZINC001345095479 962227457 /nfs/dbraw/zinc/22/74/57/962227457.db2.gz JATRYVDJJUQVDW-QHCPKHFHSA-N -1 3 391.471 3.097 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263088132 962236027 /nfs/dbraw/zinc/23/60/27/962236027.db2.gz IPLIOKVBJIMRQG-YLJYHZDGSA-N -1 3 388.508 3.326 20 0 GGADHM COc1cc(C)cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC001345745380 962280780 /nfs/dbraw/zinc/28/07/80/962280780.db2.gz JSJLFAGBIZAFGT-HSZRJFAPSA-N -1 3 396.487 3.161 20 0 GGADHM CC(C)N(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001588912143 962322845 /nfs/dbraw/zinc/32/28/45/962322845.db2.gz BOYDBMGVHDDSOG-HXUWFJFHSA-N -1 3 396.487 3.275 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2csc3c2CCCC3)CCCN(Cc2ccccc2)C1 ZINC001346258760 962333619 /nfs/dbraw/zinc/33/36/19/962333619.db2.gz GXAJKZCXHIXLPB-QFIPXVFZSA-N -1 3 398.528 3.476 20 0 GGADHM CSc1ccccc1CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001346301102 962341020 /nfs/dbraw/zinc/34/10/20/962341020.db2.gz SCVVWPLWRNEUCB-QFIPXVFZSA-N -1 3 398.528 3.187 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC(Cc4cccnc4)CC3)o2)C1 ZINC001574652106 962449605 /nfs/dbraw/zinc/44/96/05/962449605.db2.gz UZNIDLARELOHLO-LJQANCHMSA-N -1 3 383.492 3.430 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CCCCC2)N(C)C)cc1 ZINC001588937970 962512196 /nfs/dbraw/zinc/51/21/96/962512196.db2.gz AQGVRTFHLSJRFM-GOSISDBHSA-N -1 3 376.497 3.228 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)N(C)C)cc1 ZINC001588938246 962518660 /nfs/dbraw/zinc/51/86/60/962518660.db2.gz WUXIZFHCSKOKLR-QGZVFWFLSA-N -1 3 390.524 3.330 20 0 GGADHM C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000263378175 962534765 /nfs/dbraw/zinc/53/47/65/962534765.db2.gz BBANJZIQIHBCKY-HNNXBMFYSA-N -1 3 388.489 3.118 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263395077 962554743 /nfs/dbraw/zinc/55/47/43/962554743.db2.gz RDTRCPNRYWETKW-FQEVSTJZSA-N -1 3 383.492 3.341 20 0 GGADHM CN1C(=O)C[C@@H](NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263438480 962615994 /nfs/dbraw/zinc/61/59/94/962615994.db2.gz VJDFNPLWEUWKFH-SJLPKXTDSA-N -1 3 376.815 3.239 20 0 GGADHM CN1C(=O)C[C@@H](NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263438476 962616612 /nfs/dbraw/zinc/61/66/12/962616612.db2.gz VJDFNPLWEUWKFH-AEFFLSMTSA-N -1 3 376.815 3.239 20 0 GGADHM CN1C(=O)C[C@H](NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 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ZINC001605053710 972667339 /nfs/dbraw/zinc/66/73/39/972667339.db2.gz MOOLUYOOHSSFOS-HUBLWGQQSA-N -1 3 380.535 3.071 20 0 GGADHM Cc1cc(CN2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)cc(C)n1 ZINC001605165607 972863445 /nfs/dbraw/zinc/86/34/45/972863445.db2.gz OITCVLRASAPXCQ-KRWDZBQOSA-N -1 3 391.512 3.232 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cnn(Cc3ccccc3Cl)c1)O2 ZINC001605988000 973042267 /nfs/dbraw/zinc/04/22/67/973042267.db2.gz QCPDMKGTRSLWCB-OHTSDLOESA-N -1 3 389.883 3.087 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCCNc3cccc(F)c3)o2)C1 ZINC001605999649 973089065 /nfs/dbraw/zinc/08/90/65/973089065.db2.gz WRLHAFJLFPXHSK-HNNXBMFYSA-N -1 3 375.444 3.312 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@@H]3CC[C@@H]4SCCS[C@H]34)o2)C1 ZINC001605999775 973093401 /nfs/dbraw/zinc/09/34/01/973093401.db2.gz ZMSPAMRQNMGYBO-JJAZEVLHSA-N -1 3 382.551 3.050 20 0 GGADHM Cc1cccc([C@@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])c1 ZINC001605329231 973195514 /nfs/dbraw/zinc/19/55/14/973195514.db2.gz GSBWLKOOQPCFNK-HXUWFJFHSA-N -1 3 378.428 3.434 20 0 GGADHM Cc1cccc2oc(CCNCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)nc21 ZINC001605350265 973252255 /nfs/dbraw/zinc/25/22/55/973252255.db2.gz VTNWTDLCSJQBJF-HNNXBMFYSA-N -1 3 383.448 3.363 20 0 GGADHM Cc1csc(C[C@@H]2CCN(Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380575 973337944 /nfs/dbraw/zinc/33/79/44/973337944.db2.gz KXSGJYDWBUCOAB-HOTGVXAUSA-N -1 3 389.521 3.410 20 0 GGADHM Cc1nc2ccccc2n1CCNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001605419853 973435045 /nfs/dbraw/zinc/43/50/45/973435045.db2.gz DSQXXIJSAOMYHP-MRXNPFEDSA-N -1 3 382.464 3.029 20 0 GGADHM Cc1sc(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1Br ZINC001605460991 973555887 /nfs/dbraw/zinc/55/58/87/973555887.db2.gz IRHPUSNPUXLERA-RYUDHWBXSA-N -1 3 398.326 3.243 20 0 GGADHM Cc1sc(CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Br ZINC001605460992 973556163 /nfs/dbraw/zinc/55/61/63/973556163.db2.gz IRHPUSNPUXLERA-VXGBXAGGSA-N -1 3 398.326 3.243 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCCN(c2cccc(F)c2F)CC1 ZINC001606529253 974044920 /nfs/dbraw/zinc/04/49/20/974044920.db2.gz REDJOUYLHDHYDV-UHFFFAOYSA-N -1 3 376.403 3.254 20 0 GGADHM COc1ccccc1O[C@@H](C)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001604896806 974153180 /nfs/dbraw/zinc/15/31/80/974153180.db2.gz DXDMBJXNUIJSDC-JKSUJKDBSA-N -1 3 388.464 3.146 20 0 GGADHM CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603760310 974203385 /nfs/dbraw/zinc/20/33/85/974203385.db2.gz LKTUMOIZQXYOKJ-QZEKMECESA-N -1 3 398.459 3.210 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3cccc(C)c3)cc2)CC1 ZINC001603767609 974215176 /nfs/dbraw/zinc/21/51/76/974215176.db2.gz DKCYDJSQBQXDSC-HXUWFJFHSA-N -1 3 396.491 3.084 20 0 GGADHM COc1cc(OC)c(C2CCN(Cc3ccoc3C(=O)[O-])CC2)c(OC)c1 ZINC000528752549 974352526 /nfs/dbraw/zinc/35/25/26/974352526.db2.gz XIOSBHVYMNGQKJ-UHFFFAOYSA-N -1 3 375.421 3.383 20 0 GGADHM COc1ccc(CC[C@@H]2CCCCN2Cc2cnc(C(=O)[O-])cn2)cc1OC ZINC000530162366 974358254 /nfs/dbraw/zinc/35/82/54/974358254.db2.gz NHMIZAUMMLFRGV-KRWDZBQOSA-N -1 3 385.464 3.179 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)Nc3cccc(CC(=O)[O-])c3)c2)CC1 ZINC000557171509 974492112 /nfs/dbraw/zinc/49/21/12/974492112.db2.gz QSYDVVJAJKTSAU-UHFFFAOYSA-N -1 3 382.464 3.100 20 0 GGADHM CC(C)c1ccc(CC2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC000563284725 974528834 /nfs/dbraw/zinc/52/88/34/974528834.db2.gz VLFAJFIZDHMRGU-UHFFFAOYSA-N -1 3 386.536 3.388 20 0 GGADHM C[C@@H](c1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1)C(F)(F)F ZINC000563290131 974529505 /nfs/dbraw/zinc/52/95/05/974529505.db2.gz QMZBUJIJLUOAFC-SWLSCSKDSA-N -1 3 382.386 3.479 20 0 GGADHM CN(C)[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccs1 ZINC001604054759 974587959 /nfs/dbraw/zinc/58/79/59/974587959.db2.gz ZXUCJZKPWHLPKZ-GDBMZVCRSA-N -1 3 377.510 3.035 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000566234758 974600074 /nfs/dbraw/zinc/60/00/74/974600074.db2.gz NFEMAQJEFXHFKG-LEWJYISDSA-N -1 3 378.472 3.223 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001604067304 974601015 /nfs/dbraw/zinc/60/10/15/974601015.db2.gz AUFWLZBUTXIULR-UHFFFAOYSA-N -1 3 375.494 3.361 20 0 GGADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000566362824 974610452 /nfs/dbraw/zinc/61/04/52/974610452.db2.gz WVOQBNWMTLAUKO-HOCLYGCPSA-N -1 3 387.398 3.179 20 0 GGADHM COc1ccc(OCc2nc(CNCC3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000568464897 974671487 /nfs/dbraw/zinc/67/14/87/974671487.db2.gz GMBJJPVBOSNKGF-UHFFFAOYSA-N -1 3 376.478 3.465 20 0 GGADHM CC[C@H](c1ccccc1)N(CCOc1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000571539504 974731485 /nfs/dbraw/zinc/73/14/85/974731485.db2.gz XVTKFUGTIGWRDX-LJQANCHMSA-N -1 3 391.489 3.007 20 0 GGADHM CC[C@@H](c1ccccc1)N(CCOc1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000571539502 974731667 /nfs/dbraw/zinc/73/16/67/974731667.db2.gz XVTKFUGTIGWRDX-IBGZPJMESA-N -1 3 391.489 3.007 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN([C@H](C)c1cc(C)c(C(=O)[O-])o1)CC2 ZINC000573452423 974765429 /nfs/dbraw/zinc/76/54/29/974765429.db2.gz ORPWRDNYEAWCDN-CYBMUJFWSA-N -1 3 389.448 3.474 20 0 GGADHM CCc1ccc([C@H]2CCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000576481004 974816565 /nfs/dbraw/zinc/81/65/65/974816565.db2.gz YCBQZNCVFGMQNB-IERDGZPVSA-N -1 3 380.488 3.441 20 0 GGADHM Cc1sc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1C(=O)[O-] ZINC000577282304 974833635 /nfs/dbraw/zinc/83/36/35/974833635.db2.gz FGGXKGQOPDOGOZ-CYBMUJFWSA-N -1 3 385.411 3.277 20 0 GGADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582551584 974928145 /nfs/dbraw/zinc/92/81/45/974928145.db2.gz JLYFYVZNCNZMRF-YPMHNXCESA-N -1 3 384.358 3.273 20 0 GGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000603106633 975013649 /nfs/dbraw/zinc/01/36/49/975013649.db2.gz DLBSIQUMLYOCPF-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000630223720 975170306 /nfs/dbraw/zinc/17/03/06/975170306.db2.gz JJJNRHHZBZKGTD-CYBMUJFWSA-N -1 3 386.414 3.206 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000630223721 975171068 /nfs/dbraw/zinc/17/10/68/975171068.db2.gz JJJNRHHZBZKGTD-ZDUSSCGKSA-N -1 3 386.414 3.206 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000630224618 975172061 /nfs/dbraw/zinc/17/20/61/975172061.db2.gz ARCADDADTSXFMB-CYBMUJFWSA-N -1 3 386.414 3.206 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000630227308 975175294 /nfs/dbraw/zinc/17/52/94/975175294.db2.gz ZRKJUMBNDJGDMD-ZDUSSCGKSA-N -1 3 386.414 3.206 20 0 GGADHM O=C(CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)N[C@H](c1ccccc1)C1CC1 ZINC000647369355 975358605 /nfs/dbraw/zinc/35/86/05/975358605.db2.gz KYRUVWGQZLBUIR-TUNNFDKTSA-N -1 3 378.472 3.054 20 0 GGADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000650504440 975444690 /nfs/dbraw/zinc/44/46/90/975444690.db2.gz NJWQYAODZPJLHH-SFTDATJTSA-N -1 3 380.488 3.416 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)CN3CCCC[C@H]3CC(=O)[O-])ccc2c1 ZINC000650504270 975444990 /nfs/dbraw/zinc/44/49/90/975444990.db2.gz FXHXXKCEYCFVLQ-IBGZPJMESA-N -1 3 384.476 3.136 20 0 GGADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000650505957 975446624 /nfs/dbraw/zinc/44/66/24/975446624.db2.gz WYVGGMLTOYKCEX-FQEVSTJZSA-N -1 3 396.487 3.211 20 0 GGADHM C[C@@H](NC(=O)CN1CCCC[C@@H]1CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000650506006 975447267 /nfs/dbraw/zinc/44/72/67/975447267.db2.gz ZAASLCPXPDMSJC-TZMCWYRMSA-N -1 3 388.386 3.092 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000652407440 975524358 /nfs/dbraw/zinc/52/43/58/975524358.db2.gz UZMYQQDOBXLMFN-MRXNPFEDSA-N -1 3 398.478 3.483 20 0 GGADHM COc1cc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)ccc1OC(F)F ZINC000652502423 975566655 /nfs/dbraw/zinc/56/66/55/975566655.db2.gz SKOQEAXAJCHDQZ-UHFFFAOYSA-N -1 3 381.375 3.392 20 0 GGADHM O=C([O-])C1CCN(C(=O)CN2CCc3ccccc3[C@@H]2Cc2ccccc2)CC1 ZINC000653389352 975592461 /nfs/dbraw/zinc/59/24/61/975592461.db2.gz DZKVHXIJBRBPEO-QFIPXVFZSA-N -1 3 392.499 3.152 20 0 GGADHM CC(C)Oc1c(NC(=O)NC[C@@H]2CCCCN2C2CC2)cccc1C(=O)[O-] ZINC001591747737 975798052 /nfs/dbraw/zinc/79/80/52/975798052.db2.gz YDUQIGKHSPZNEW-HNNXBMFYSA-N -1 3 375.469 3.310 20 0 GGADHM C[C@@H]1C[C@H]1c1noc(CC2CCN(CCOc3ccccc3C(=O)[O-])CC2)n1 ZINC000659798956 975888081 /nfs/dbraw/zinc/88/80/81/975888081.db2.gz VTPVYSKZJSJQCL-RHSMWYFYSA-N -1 3 385.464 3.225 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001591772661 975906233 /nfs/dbraw/zinc/90/62/33/975906233.db2.gz HOGKITLGCAKIPH-AOIWGVFYSA-N -1 3 376.497 3.084 20 0 GGADHM CC(C)Oc1cccc(CNC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001591797085 976013632 /nfs/dbraw/zinc/01/36/32/976013632.db2.gz WLGJAHPPEXZXNQ-IERDGZPVSA-N -1 3 384.476 3.142 20 0 GGADHM CC(C)Oc1cccc(CNC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001591797084 976013816 /nfs/dbraw/zinc/01/38/16/976013816.db2.gz WLGJAHPPEXZXNQ-HRAATJIYSA-N -1 3 384.476 3.142 20 0 GGADHM CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001591828490 976087043 /nfs/dbraw/zinc/08/70/43/976087043.db2.gz QUKYIHJNWCAMET-LBPRGKRZSA-N -1 3 385.917 3.321 20 0 GGADHM CC(C)c1[nH]c(CNC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1C(=O)[O-] ZINC001591915751 976360396 /nfs/dbraw/zinc/36/03/96/976360396.db2.gz DKTHSJOGTJTHJC-KRWDZBQOSA-N -1 3 391.899 3.485 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cnccc1C(F)(F)F ZINC001592267958 977519244 /nfs/dbraw/zinc/51/92/44/977519244.db2.gz ITVUCGSKUHILIU-NSHDSACASA-N -1 3 381.354 3.306 20 0 GGADHM C[C@@](CC(=O)[O-])(NCCOc1cccc(Br)c1)c1ccccn1 ZINC001592316956 977696965 /nfs/dbraw/zinc/69/69/65/977696965.db2.gz GKZNFHRVPOIWEC-KRWDZBQOSA-N -1 3 379.254 3.203 20 0 GGADHM C[C@](CC(=O)[O-])(NCc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC001592328940 977749629 /nfs/dbraw/zinc/74/96/29/977749629.db2.gz PEPMGTZXRFTREB-GOSISDBHSA-N -1 3 391.265 3.028 20 0 GGADHM C[C@@](CC(=O)[O-])(NCc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC001592330491 977767002 /nfs/dbraw/zinc/76/70/02/977767002.db2.gz UQYLCFMQAQOUSJ-INIZCTEOSA-N -1 3 380.242 3.232 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000737357457 978398766 /nfs/dbraw/zinc/39/87/66/978398766.db2.gz AQBWRPKZBJUHHN-OAHLLOKOSA-N -1 3 375.856 3.333 20 0 GGADHM C[C@H](CN(C)CCOc1ccc(C(=O)[O-])cc1Cl)NC(=O)OC(C)(C)C ZINC001592584450 978502620 /nfs/dbraw/zinc/50/26/20/978502620.db2.gz AYBYGZNMZQRHAF-GFCCVEGCSA-N -1 3 386.876 3.262 20 0 GGADHM C[C@H](CN1CCCC1=O)NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001592617219 978585905 /nfs/dbraw/zinc/58/59/05/978585905.db2.gz NDEWJPWLLAXIOE-MRXNPFEDSA-N -1 3 382.460 3.064 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000739987961 978661432 /nfs/dbraw/zinc/66/14/32/978661432.db2.gz HNJLPOFNHMAPSU-IBGZPJMESA-N -1 3 382.464 3.413 20 0 GGADHM COc1ccc(CN[C@@H](CC(=O)[O-])Cc2ccccc2)c(Br)c1O ZINC000756385735 978699939 /nfs/dbraw/zinc/69/99/39/978699939.db2.gz SGRXNPQTCYFCOB-CQSZACIVSA-N -1 3 394.265 3.339 20 0 GGADHM O=C([O-])C[C@H](Cc1ccccc1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000756385759 978700124 /nfs/dbraw/zinc/70/01/24/978700124.db2.gz SWORIGZASKJJPE-AWEZNQCLSA-N -1 3 388.830 3.235 20 0 GGADHM O=C([O-])c1ccc(Cl)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000819928120 978925315 /nfs/dbraw/zinc/92/53/15/978925315.db2.gz CQLZAENSXNLZHF-QFBILLFUSA-N -1 3 384.863 3.385 20 0 GGADHM C[C@@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000828289872 978978628 /nfs/dbraw/zinc/97/86/28/978978628.db2.gz ONWNEKCBOQIJOV-JLSDUUJJSA-N -1 3 385.464 3.012 20 0 GGADHM CN(C)[C@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830582198 979019953 /nfs/dbraw/zinc/01/99/53/979019953.db2.gz ZLNRQYZELNBBRU-RTBURBONSA-N -1 3 383.492 3.441 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000833131795 979090339 /nfs/dbraw/zinc/09/03/39/979090339.db2.gz GDPBFAWAIKWZEM-GOSISDBHSA-N -1 3 377.460 3.048 20 0 GGADHM CCOc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)ccc1OCC(=O)[O-] ZINC000833663913 979217809 /nfs/dbraw/zinc/21/78/09/979217809.db2.gz VORMVHTYFCGKCK-UHFFFAOYSA-N -1 3 386.448 3.171 20 0 GGADHM C[C@@](CO)(Cc1ccccc1F)NCc1cc(C(=O)[O-])ccc1Br ZINC001592734545 979262391 /nfs/dbraw/zinc/26/23/91/979262391.db2.gz XXPNVYCXXIVXCG-SFHVURJKSA-N -1 3 396.256 3.370 20 0 GGADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n(C)c1C ZINC000841794748 979311107 /nfs/dbraw/zinc/31/11/07/979311107.db2.gz BTNCDEJCYGMORY-HNNXBMFYSA-N -1 3 384.354 3.054 20 0 GGADHM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000846244057 979420952 /nfs/dbraw/zinc/42/09/52/979420952.db2.gz SLJWXKZQDFCCFT-PBHICJAKSA-N -1 3 387.398 3.491 20 0 GGADHM CCC(CC)[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001595109021 979439264 /nfs/dbraw/zinc/43/92/64/979439264.db2.gz BWZIZRZPQKTFDN-SFHVURJKSA-N -1 3 375.494 3.476 20 0 GGADHM COc1ccc(OCc2nc(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])cs2)cc1 ZINC000846278744 979445632 /nfs/dbraw/zinc/44/56/32/979445632.db2.gz SYMQQWIYRYWZDR-SOVGHPHASA-N -1 3 388.489 3.416 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846282674 979454698 /nfs/dbraw/zinc/45/46/98/979454698.db2.gz BPOHXUHYUADPQX-WFASDCNBSA-N -1 3 388.277 3.444 20 0 GGADHM O=C([O-])C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000852959514 979592095 /nfs/dbraw/zinc/59/20/95/979592095.db2.gz NJHXWRYOKMSKBR-QFBILLFUSA-N -1 3 398.425 3.058 20 0 GGADHM CC[C@H](CNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001595147413 979628280 /nfs/dbraw/zinc/62/82/80/979628280.db2.gz SMCTVYMTCITNKR-TXTKFYIRSA-N -1 3 399.535 3.110 20 0 GGADHM C[C@](Cc1ccc(F)cc1)(NCc1cn(-c2ccc(Cl)cc2)nn1)C(=O)[O-] ZINC001592853044 979640938 /nfs/dbraw/zinc/64/09/38/979640938.db2.gz BLGSGDRNHIVLES-LJQANCHMSA-N -1 3 388.830 3.235 20 0 GGADHM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)N1CCc2ccccc2C1 ZINC001595152568 979647520 /nfs/dbraw/zinc/64/75/20/979647520.db2.gz MGGGNRJEDQHZJB-QGZVFWFLSA-N -1 3 385.439 3.482 20 0 GGADHM COc1cc(-c2ccccc2)ccc1CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859816899 979648251 /nfs/dbraw/zinc/64/82/51/979648251.db2.gz LCEKCCFMOXBYAJ-IBGZPJMESA-N -1 3 392.459 3.489 20 0 GGADHM C[C@](Cc1ccc(F)cc1)(NCc1nc2ccc(Cl)cc2c(=O)[nH]1)C(=O)[O-] ZINC001592854080 979648779 /nfs/dbraw/zinc/64/87/79/979648779.db2.gz KXMKAHJZHTXXTA-LJQANCHMSA-N -1 3 389.814 3.304 20 0 GGADHM C[C@H](Cc1ccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1)C(=O)[O-] ZINC001592868181 979718669 /nfs/dbraw/zinc/71/86/69/979718669.db2.gz VVDSSMQHHVBANT-UZLBHIALSA-N -1 3 383.492 3.244 20 0 GGADHM CC[C@](CNCc1snc(OC)c1Br)(C(=O)[O-])c1ccccc1 ZINC001595168178 979727672 /nfs/dbraw/zinc/72/76/72/979727672.db2.gz VQJZAANTAYVGTH-MRXNPFEDSA-N -1 3 399.310 3.436 20 0 GGADHM CC[C@@](CNCc1snc(OC)c1Br)(C(=O)[O-])c1ccccc1 ZINC001595168177 979727734 /nfs/dbraw/zinc/72/77/34/979727734.db2.gz VQJZAANTAYVGTH-INIZCTEOSA-N -1 3 399.310 3.436 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1Br)NCc1c(Cl)n[nH]c1C1CC1 ZINC000900040945 980239100 /nfs/dbraw/zinc/23/91/00/980239100.db2.gz GRAVQHZKLVXFGL-ZDUSSCGKSA-N -1 3 398.688 3.489 20 0 GGADHM O=C([O-])c1cccc2c(CN3CCC(NC(=O)c4ccccc4)CC3)ccnc12 ZINC000901417889 980264485 /nfs/dbraw/zinc/26/44/85/980264485.db2.gz PQWFEIOWKBDMKA-UHFFFAOYSA-N -1 3 389.455 3.327 20 0 GGADHM O=C([O-])c1csc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000901427727 980272997 /nfs/dbraw/zinc/27/29/97/980272997.db2.gz PSYLBQLGAJQVGW-UHFFFAOYSA-N -1 3 377.441 3.372 20 0 GGADHM C[C@H](NC(=O)CN1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001593026143 980287337 /nfs/dbraw/zinc/28/73/37/980287337.db2.gz RFFQWXZASPQOMV-YCRPNKLZSA-N -1 3 386.879 3.246 20 0 GGADHM C[C@@H](NC(=O)CN1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001593026141 980287378 /nfs/dbraw/zinc/28/73/78/980287378.db2.gz RFFQWXZASPQOMV-QVKFZJNVSA-N -1 3 386.879 3.246 20 0 GGADHM CC[C@H](N[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCCO2 ZINC001595277470 980306052 /nfs/dbraw/zinc/30/60/52/980306052.db2.gz VNMKMJSUYPIBJP-PXNSSMCTSA-N -1 3 387.432 3.342 20 0 GGADHM COc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc(OC)c1OCC(F)F ZINC000901502142 980321993 /nfs/dbraw/zinc/32/19/93/980321993.db2.gz ZZBMUBIYFPOBCK-CYBMUJFWSA-N -1 3 385.407 3.034 20 0 GGADHM CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595282110 980340820 /nfs/dbraw/zinc/34/08/20/980340820.db2.gz UXMQEOPFNCJQIZ-KUHUBIRLSA-N -1 3 390.505 3.437 20 0 GGADHM O=C([O-])CCN(Cc1cnn(Cc2ccccc2Cl)c1)C[C@H]1CCCO1 ZINC000901683803 980448262 /nfs/dbraw/zinc/44/82/62/980448262.db2.gz ZZLLIEYGTTWJQC-QGZVFWFLSA-N -1 3 377.872 3.041 20 0 GGADHM COc1cccc([C@H](N[C@H](C)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])c1 ZINC000901753810 980483724 /nfs/dbraw/zinc/48/37/24/980483724.db2.gz GYKWQBCREHLTOF-XIKOKIGWSA-N -1 3 375.421 3.198 20 0 GGADHM COc1cccc([C@H](N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])c1 ZINC000901753809 980483823 /nfs/dbraw/zinc/48/38/23/980483823.db2.gz GYKWQBCREHLTOF-SGTLLEGYSA-N -1 3 375.421 3.198 20 0 GGADHM CO[C@@H]1CCC[C@@H]([C@@H](NCc2ncc(Br)cc2Cl)C(=O)[O-])C1 ZINC000901763221 980495850 /nfs/dbraw/zinc/49/58/50/980495850.db2.gz RNUIKUWHFSFHED-GLXFQSAKSA-N -1 3 391.693 3.246 20 0 GGADHM CO[C@@H]1CCC[C@@H]([C@H](NCc2ncc(Br)cc2Cl)C(=O)[O-])C1 ZINC000901763225 980496191 /nfs/dbraw/zinc/49/61/91/980496191.db2.gz RNUIKUWHFSFHED-UDZFHETQSA-N -1 3 391.693 3.246 20 0 GGADHM COc1cccc(C[C@@H](C)NCc2ccc(C(=O)[O-])cc2Br)n1 ZINC000901781691 980512379 /nfs/dbraw/zinc/51/23/79/980512379.db2.gz REHAGBATPPOLNQ-LLVKDONJSA-N -1 3 379.254 3.272 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785048 980514635 /nfs/dbraw/zinc/51/46/35/980514635.db2.gz BRXLMMJHDJIUHI-KRWDZBQOSA-N -1 3 385.361 3.467 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901787756 980517866 /nfs/dbraw/zinc/51/78/66/980517866.db2.gz RITYOHWEOIZADD-GOSISDBHSA-N -1 3 381.398 3.387 20 0 GGADHM CCC(O)(CC)C(C)(C)NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001595323472 980524399 /nfs/dbraw/zinc/52/43/99/980524399.db2.gz OYUIDQMLUVGVNB-UHFFFAOYSA-N -1 3 382.526 3.183 20 0 GGADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000901824501 980544038 /nfs/dbraw/zinc/54/40/38/980544038.db2.gz AAENBDDXUKAIMF-HXUWFJFHSA-N -1 3 391.370 3.245 20 0 GGADHM Cc1nn2c(CN3CC[C@@](C(=O)[O-])(c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000901826147 980546224 /nfs/dbraw/zinc/54/62/24/980546224.db2.gz GUGPQDSABCKQOX-FQEVSTJZSA-N -1 3 384.505 3.451 20 0 GGADHM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000901842147 980561888 /nfs/dbraw/zinc/56/18/88/980561888.db2.gz IPSLGAMIMJXPLD-HRAATJIYSA-N -1 3 394.450 3.459 20 0 GGADHM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NCc1nccn1CC(F)(F)F ZINC000901843319 980564903 /nfs/dbraw/zinc/56/49/03/980564903.db2.gz OPWAOHAGFRKNLP-HOCLYGCPSA-N -1 3 381.398 3.498 20 0 GGADHM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NCc1nccn1CC(F)(F)F ZINC000901843316 980564987 /nfs/dbraw/zinc/56/49/87/980564987.db2.gz OPWAOHAGFRKNLP-GDBMZVCRSA-N -1 3 381.398 3.498 20 0 GGADHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1OC ZINC000901844323 980566324 /nfs/dbraw/zinc/56/63/24/980566324.db2.gz UJZWLQCXDLIWHI-GOSISDBHSA-N -1 3 377.412 3.466 20 0 GGADHM COc1ccc([C@H](NCc2ccc(N3CCCC3)nc2)C(=O)[O-])cc1Cl ZINC000901850557 980576212 /nfs/dbraw/zinc/57/62/12/980576212.db2.gz VMPOXOCKPJPEKG-SFHVURJKSA-N -1 3 375.856 3.259 20 0 GGADHM C[C@@H](NCc1ncc(Br)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901871691 980583722 /nfs/dbraw/zinc/58/37/22/980583722.db2.gz FXHFPKGAWSOAGH-RISCZKNCSA-N -1 3 381.245 3.405 20 0 GGADHM CC[C@](NCc1ccc(S(C)(=O)=O)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901873760 980587986 /nfs/dbraw/zinc/58/79/86/980587986.db2.gz UPMCIHFFZCPHEQ-GOSISDBHSA-N -1 3 381.881 3.223 20 0 GGADHM Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])cnc12 ZINC000902010279 980689086 /nfs/dbraw/zinc/68/90/86/980689086.db2.gz CORZRNRQCSYEPF-TUKIKUTGSA-N -1 3 378.270 3.090 20 0 GGADHM O=C([O-])COc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000902080360 980722797 /nfs/dbraw/zinc/72/27/97/980722797.db2.gz GFCBJKHPORJIQQ-UHFFFAOYSA-N -1 3 377.824 3.255 20 0 GGADHM Cc1cc(CNCc2cccc(Cn3cccn3)c2)cc(C)c1OCC(=O)[O-] ZINC000902161836 980762849 /nfs/dbraw/zinc/76/28/49/980762849.db2.gz HHZNNCLEQCWLBB-UHFFFAOYSA-N -1 3 379.460 3.301 20 0 GGADHM NC(=O)[C@H](N[C@H]1CCC[C@@H](CCCC(=O)[O-])C1)c1cccc(Br)c1 ZINC000902189613 980775618 /nfs/dbraw/zinc/77/56/18/980775618.db2.gz BYWJGSPRIQZYTG-YLQAJVPDSA-N -1 3 397.313 3.379 20 0 GGADHM CO[C@H](c1ccccc1Cl)[C@H](C)NCc1c(C)nn(CCC(=O)[O-])c1C ZINC000902268529 980809476 /nfs/dbraw/zinc/80/94/76/980809476.db2.gz LCLMOUAOPMVSTN-DJJJIMSYSA-N -1 3 379.888 3.494 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000902323223 980831825 /nfs/dbraw/zinc/83/18/25/980831825.db2.gz AMQJRHGUXHVWGP-LBPRGKRZSA-N -1 3 378.416 3.069 20 0 GGADHM Cn1ccc([C@H]2CCCN([C@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903630994 981006717 /nfs/dbraw/zinc/00/67/17/981006717.db2.gz JFQADFSSOXRCOC-BBRMVZONSA-N -1 3 378.270 3.188 20 0 GGADHM Cn1ccc([C@@H]2CCCN([C@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631365 981008113 /nfs/dbraw/zinc/00/81/13/981008113.db2.gz RDOSFMFIBIXXFF-WBMJQRKESA-N -1 3 378.270 3.188 20 0 GGADHM CC[C@@H]1C[C@@H](CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCO1 ZINC001595412078 981009053 /nfs/dbraw/zinc/00/90/53/981009053.db2.gz AKUBNNOXFBOKHK-KFKAGJAMSA-N -1 3 380.916 3.289 20 0 GGADHM CCOC(=O)c1sc([C@H]2CCN(Cc3ccc(C(=O)[O-])s3)C2)nc1C ZINC000903693626 981015144 /nfs/dbraw/zinc/01/51/44/981015144.db2.gz INMNOHXFTNCTDC-NSHDSACASA-N -1 3 380.491 3.377 20 0 GGADHM O=C([O-])c1cnc([C@H]2CCN(C[C@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924033 981041024 /nfs/dbraw/zinc/04/10/24/981041024.db2.gz HASUHFAFQLBONJ-GWCFXTLKSA-N -1 3 386.395 3.383 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2OCCN1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000903931923 981053170 /nfs/dbraw/zinc/05/31/70/981053170.db2.gz YWHIYIZWJKGKED-RDJZCZTQSA-N -1 3 381.350 3.259 20 0 GGADHM O=C([O-])[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H]([C@H]2CCCO2)C1 ZINC000903942345 981065114 /nfs/dbraw/zinc/06/51/14/981065114.db2.gz WOFSKSPSNKCQNI-KLWIRTJPSA-N -1 3 388.291 3.371 20 0 GGADHM O=C([O-])c1cccc(OCCN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000903944921 981069863 /nfs/dbraw/zinc/06/98/63/981069863.db2.gz PWDNEFKVXAFABP-ZDUSSCGKSA-N -1 3 381.354 3.062 20 0 GGADHM COc1cc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)ccc1OC(F)F ZINC000903945030 981071183 /nfs/dbraw/zinc/07/11/83/981071183.db2.gz UOEMZOFCBIWSCS-KKUMJFAQSA-N -1 3 385.407 3.141 20 0 GGADHM CC(C)Sc1cc(Br)ccc1CNCCn1cc(C(=O)[O-])nn1 ZINC000904062959 981083204 /nfs/dbraw/zinc/08/32/04/981083204.db2.gz MQGQZKBHEKURGP-UHFFFAOYSA-N -1 3 399.314 3.029 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)[C@@]3(C(=O)[O-])C[C@@H]3c3ccccc3)cc2)CC1 ZINC000907791028 981220353 /nfs/dbraw/zinc/22/03/53/981220353.db2.gz ULDSJCGUNQAFMG-NFBKMPQASA-N -1 3 393.487 3.026 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)[C@]3(C(=O)[O-])C[C@@H]3c3ccccc3)cc2)CC1 ZINC000907791030 981220453 /nfs/dbraw/zinc/22/04/53/981220453.db2.gz ULDSJCGUNQAFMG-OFNKIYASSA-N -1 3 393.487 3.026 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)[C@]3(C(=O)[O-])C[C@@H]3c3ccccc3)c2)CC1 ZINC000907843392 981232559 /nfs/dbraw/zinc/23/25/59/981232559.db2.gz YEBKKUUKWDPOMV-OFNKIYASSA-N -1 3 393.487 3.026 20 0 GGADHM O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000908065490 981259110 /nfs/dbraw/zinc/25/91/10/981259110.db2.gz RZYSNNRPSSZBCQ-GOSISDBHSA-N -1 3 382.435 3.325 20 0 GGADHM COc1c(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC000908502296 981319400 /nfs/dbraw/zinc/31/94/00/981319400.db2.gz WGUBEUUKVTXDJT-OAHLLOKOSA-N -1 3 386.423 3.383 20 0 GGADHM CC(C)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857775 981379100 /nfs/dbraw/zinc/37/91/00/981379100.db2.gz UDYLTZXKESECKV-HUUCEWRRSA-N -1 3 388.386 3.090 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000908896014 981383487 /nfs/dbraw/zinc/38/34/87/981383487.db2.gz QSHLTWPTALTOHO-NRFANRHFSA-N -1 3 378.472 3.324 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908898659 981385032 /nfs/dbraw/zinc/38/50/32/981385032.db2.gz PKPSSPALHQRBEX-TZIWHRDSSA-N -1 3 396.462 3.076 20 0 GGADHM CCC[C@H](C)[C@H](CO)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595573793 981489903 /nfs/dbraw/zinc/48/99/03/981489903.db2.gz URGSWCYLPXYXED-ZANVPECISA-N -1 3 377.268 3.017 20 0 GGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000909442488 981494270 /nfs/dbraw/zinc/49/42/70/981494270.db2.gz LBSLKKQMGVPPNS-OAQYLSRUSA-N -1 3 391.471 3.189 20 0 GGADHM C[C@H](Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000909518975 981525458 /nfs/dbraw/zinc/52/54/58/981525458.db2.gz FPMNMUTWCADKBM-APWZRJJASA-N -1 3 381.476 3.196 20 0 GGADHM C[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000909538285 981536491 /nfs/dbraw/zinc/53/64/91/981536491.db2.gz QOCDDCQQQIIEJA-MONBJTKQSA-N -1 3 386.536 3.479 20 0 GGADHM COc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1C(=O)[O-] ZINC000909730820 981584154 /nfs/dbraw/zinc/58/41/54/981584154.db2.gz IHYXEFSJOBPFAR-UHFFFAOYSA-N -1 3 397.475 3.176 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909731832 981585475 /nfs/dbraw/zinc/58/54/75/981585475.db2.gz AYAAESGJRXJHRC-MRXNPFEDSA-N -1 3 386.423 3.383 20 0 GGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000909768431 981611234 /nfs/dbraw/zinc/61/12/34/981611234.db2.gz RSDKQPMKMCRGMR-SFHVURJKSA-N -1 3 384.398 3.152 20 0 GGADHM CN(CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1)CC(C)(C)C ZINC000909808144 981634820 /nfs/dbraw/zinc/63/48/20/981634820.db2.gz XDSGPWJHIOYZCV-UHFFFAOYSA-N -1 3 399.329 3.230 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc([C@H](C)C(=O)[O-])cc3)cc2)CC1 ZINC000909835420 981653984 /nfs/dbraw/zinc/65/39/84/981653984.db2.gz GILBTUDMYCYHGL-INIZCTEOSA-N -1 3 381.476 3.269 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C)C(=O)[O-])cc3)cc2)CC1 ZINC000909835421 981654148 /nfs/dbraw/zinc/65/41/48/981654148.db2.gz GILBTUDMYCYHGL-MRXNPFEDSA-N -1 3 381.476 3.269 20 0 GGADHM CCC[C@]1(CO)CCCN1Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC001595618365 981665164 /nfs/dbraw/zinc/66/51/64/981665164.db2.gz UFAHWGGJHCHYMY-QGZVFWFLSA-N -1 3 386.286 3.283 20 0 GGADHM CC[C@@](CNC(=O)c1cccc(CN2CCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000909847038 981673487 /nfs/dbraw/zinc/67/34/87/981673487.db2.gz WWRPBRHJBJUCSJ-QHCPKHFHSA-N -1 3 380.488 3.445 20 0 GGADHM CCC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Br)CCN1CCOC ZINC001595624921 981739667 /nfs/dbraw/zinc/73/96/67/981739667.db2.gz JXZWWGQKVMTPRT-MRXNPFEDSA-N -1 3 399.329 3.080 20 0 GGADHM C[C@@H]1CN(CCCCNc2nc(C(F)(F)F)ccc2C(=O)[O-])C[C@@H](C)O1 ZINC000910286806 981841788 /nfs/dbraw/zinc/84/17/88/981841788.db2.gz DLSWTWZHFYPVKF-VXGBXAGGSA-N -1 3 375.391 3.100 20 0 GGADHM CCC(C)(C)N1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001594804994 981904126 /nfs/dbraw/zinc/90/41/26/981904126.db2.gz OHZSDUQWKLIIGP-ZDUSSCGKSA-N -1 3 381.448 3.016 20 0 GGADHM CCC(C)(C)N1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC001594805005 981904328 /nfs/dbraw/zinc/90/43/28/981904328.db2.gz OTOFFOREMTXHFG-UHFFFAOYSA-N -1 3 393.553 3.070 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000910454868 981941636 /nfs/dbraw/zinc/94/16/36/981941636.db2.gz GGINMFJEFKIVGI-CQSZACIVSA-N -1 3 382.489 3.344 20 0 GGADHM O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)nc2C1 ZINC000910678811 982054211 /nfs/dbraw/zinc/05/42/11/982054211.db2.gz YQXLCMHBKKLSFL-HZPDHXFCSA-N -1 3 399.516 3.183 20 0 GGADHM CC[C@@](C)(NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001594848688 982081664 /nfs/dbraw/zinc/08/16/64/982081664.db2.gz KQSKDADVGXGSJI-OAQYLSRUSA-N -1 3 384.432 3.025 20 0 GGADHM CCCCCC(=O)NC1CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC001595665546 982090603 /nfs/dbraw/zinc/09/06/03/982090603.db2.gz POKRPUQQNWJGDO-MRXNPFEDSA-N -1 3 376.497 3.199 20 0 GGADHM CC(C)(CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000910831463 982143809 /nfs/dbraw/zinc/14/38/09/982143809.db2.gz VZISLLCVEMMUMX-GOSISDBHSA-N -1 3 386.414 3.058 20 0 GGADHM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000910961405 982179051 /nfs/dbraw/zinc/17/90/51/982179051.db2.gz KRGHZTCGMFUUEY-UHFFFAOYSA-N -1 3 395.503 3.488 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC000911029418 982196754 /nfs/dbraw/zinc/19/67/54/982196754.db2.gz SKGNMHSNFNMYAW-UHFFFAOYSA-N -1 3 394.427 3.227 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911043723 982208690 /nfs/dbraw/zinc/20/86/90/982208690.db2.gz BXPHYTLQFQDWNM-LBPRGKRZSA-N -1 3 399.472 3.279 20 0 GGADHM CCCCCC[C@@](O)(CN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)C(=O)[O-] ZINC001595696456 982229195 /nfs/dbraw/zinc/22/91/95/982229195.db2.gz IWAUPDXTUZEVHJ-HXUWFJFHSA-N -1 3 386.533 3.104 20 0 GGADHM CCCCCC[C@@](O)(CN1CCN([C@@H](C)c2ccc(F)cc2F)CC1)C(=O)[O-] ZINC001595696731 982233694 /nfs/dbraw/zinc/23/36/94/982233694.db2.gz LJMMOCHRXLWNNV-HRAATJIYSA-N -1 3 398.494 3.430 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881076 982234305 /nfs/dbraw/zinc/23/43/05/982234305.db2.gz MFNSZWXDNFHTHX-ZYHUDNBSSA-N -1 3 396.509 3.379 20 0 GGADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001594881484 982240501 /nfs/dbraw/zinc/24/05/01/982240501.db2.gz RTGMJLHQNUQMMI-JQWIXIFHSA-N -1 3 396.509 3.379 20 0 GGADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001594881483 982240774 /nfs/dbraw/zinc/24/07/74/982240774.db2.gz RTGMJLHQNUQMMI-CMPLNLGQSA-N -1 3 396.509 3.379 20 0 GGADHM COc1cccc([C@H](CNC(=O)CCc2ccccc2C(=O)[O-])N2CCCC2)c1 ZINC000911106704 982240765 /nfs/dbraw/zinc/24/07/65/982240765.db2.gz NGUOPLXLFYOLPA-NRFANRHFSA-N -1 3 396.487 3.279 20 0 GGADHM CCCCCC[C@@](O)(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC001595697841 982244556 /nfs/dbraw/zinc/24/45/56/982244556.db2.gz SHTYJGIZCDPRFO-JOCHJYFZSA-N -1 3 387.524 3.072 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cccc(OC)c1 ZINC000911132741 982253459 /nfs/dbraw/zinc/25/34/59/982253459.db2.gz REUHVMOGMMGPCQ-XTWGIRIWSA-N -1 3 388.508 3.229 20 0 GGADHM CCN1CCN(Cc2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2)CC1 ZINC000911189009 982274438 /nfs/dbraw/zinc/27/44/38/982274438.db2.gz TXKBDGCYXDFGRW-UHFFFAOYSA-N -1 3 387.524 3.188 20 0 GGADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000911201817 982283089 /nfs/dbraw/zinc/28/30/89/982283089.db2.gz NQJKPHURKVYJRN-UHFFFAOYSA-N -1 3 397.450 3.138 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2OC)C1 ZINC001595712133 982303410 /nfs/dbraw/zinc/30/34/10/982303410.db2.gz HXQZPLLKXRQAFF-QGZVFWFLSA-N -1 3 376.497 3.302 20 0 GGADHM CN1C[C@H]2CCN(C(=O)c3ccccc3SCc3occc3C(=O)[O-])[C@@H]2C1 ZINC000911231810 982304062 /nfs/dbraw/zinc/30/40/62/982304062.db2.gz ZCKCCTCCNKQTHG-CZUORRHYSA-N -1 3 386.473 3.046 20 0 GGADHM O=C([O-])c1ccccc1CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000911251219 982313487 /nfs/dbraw/zinc/31/34/87/982313487.db2.gz VNOKKDOHOMVOLK-FQEVSTJZSA-N -1 3 380.488 3.488 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264003 982322646 /nfs/dbraw/zinc/32/26/46/982322646.db2.gz SERMSNZCIJPDGQ-FUHWJXTLSA-N -1 3 391.471 3.291 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264002 982323218 /nfs/dbraw/zinc/32/32/18/982323218.db2.gz SERMSNZCIJPDGQ-AEFFLSMTSA-N -1 3 391.471 3.291 20 0 GGADHM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000911271744 982325520 /nfs/dbraw/zinc/32/55/20/982325520.db2.gz LNRPTZAMFCYCHU-CYBMUJFWSA-N -1 3 386.473 3.237 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000911300345 982331773 /nfs/dbraw/zinc/33/17/73/982331773.db2.gz KSTHWUHTPQQNRF-UHFFFAOYSA-N -1 3 388.430 3.487 20 0 GGADHM O=C([O-])c1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)s1 ZINC000911321610 982345662 /nfs/dbraw/zinc/34/56/62/982345662.db2.gz BPDISHAZAUOVJT-UHFFFAOYSA-N -1 3 376.503 3.290 20 0 GGADHM CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911324085 982348436 /nfs/dbraw/zinc/34/84/36/982348436.db2.gz RUVYKSQMNFJICU-XSLBHYSZSA-N -1 3 398.459 3.210 20 0 GGADHM Cc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000911327175 982351580 /nfs/dbraw/zinc/35/15/80/982351580.db2.gz LEOUGYGERJKSRY-UHFFFAOYSA-N -1 3 380.488 3.474 20 0 GGADHM O=C([O-])CCc1ccccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000911328420 982352328 /nfs/dbraw/zinc/35/23/28/982352328.db2.gz TVMBTZDEAHINDZ-UHFFFAOYSA-N -1 3 394.515 3.485 20 0 GGADHM O=C([O-])c1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc2[nH]ccc21 ZINC000911386544 982409963 /nfs/dbraw/zinc/40/99/63/982409963.db2.gz HHZNKZVEVRUFPV-UHFFFAOYSA-N -1 3 392.459 3.017 20 0 GGADHM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000911387377 982412223 /nfs/dbraw/zinc/41/22/23/982412223.db2.gz QHGUFIXDSIUPQI-QGZVFWFLSA-N -1 3 391.471 3.189 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccccc2CCC(=O)[O-])CCN1Cc1ccccc1 ZINC000911501140 982459218 /nfs/dbraw/zinc/45/92/18/982459218.db2.gz RXYIRNGQAUKTLJ-SFHVURJKSA-N -1 3 380.488 3.440 20 0 GGADHM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H](c1ccccc1)N(C)C ZINC000911545267 982487771 /nfs/dbraw/zinc/48/77/71/982487771.db2.gz IEJVKSANBIXLQX-QVKFZJNVSA-N -1 3 379.460 3.147 20 0 GGADHM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@@H](c1ccccc1)N(C)C ZINC000911545265 982487832 /nfs/dbraw/zinc/48/78/32/982487832.db2.gz IEJVKSANBIXLQX-BTYIYWSLSA-N -1 3 379.460 3.147 20 0 GGADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000911545968 982489480 /nfs/dbraw/zinc/48/94/80/982489480.db2.gz ODNIVOSZSQLZAU-UHFFFAOYSA-N -1 3 376.497 3.123 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc(C)c1OCC(=O)[O-] ZINC000911545952 982489685 /nfs/dbraw/zinc/48/96/85/982489685.db2.gz NSPBAJGYAAJPFZ-OXQOHEQNSA-N -1 3 384.476 3.188 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)Cc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000911552887 982494194 /nfs/dbraw/zinc/49/41/94/982494194.db2.gz NFDFKIPOHJDZKO-UHFFFAOYSA-N -1 3 381.476 3.096 20 0 GGADHM CCCCO[C@@H]1C[C@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1(C)C ZINC001595769630 982498763 /nfs/dbraw/zinc/49/87/63/982498763.db2.gz COYMWGKPHPYGPF-LSDHHAIUSA-N -1 3 394.537 3.447 20 0 GGADHM CS[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@H]1N(C)C ZINC000911602665 982534610 /nfs/dbraw/zinc/53/46/10/982534610.db2.gz KICJCLASGVQBTG-RTBURBONSA-N -1 3 384.501 3.169 20 0 GGADHM C[C@](CC(=O)[O-])(NC(=O)c1cccc(CN2CCCCC2)c1)c1ccccn1 ZINC000911617877 982555848 /nfs/dbraw/zinc/55/58/48/982555848.db2.gz WQVSBACDOZCVNW-JOCHJYFZSA-N -1 3 381.476 3.187 20 0 GGADHM C[C@](CC(=O)[O-])(NC(=O)c1cccc(CN2CCCCC2)c1)c1ccncc1 ZINC000911622827 982566546 /nfs/dbraw/zinc/56/65/46/982566546.db2.gz FXMDSGJKHANEHE-JOCHJYFZSA-N -1 3 381.476 3.187 20 0 GGADHM COc1ccc([C@H](CN2CCCC2)NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000911653444 982584372 /nfs/dbraw/zinc/58/43/72/982584372.db2.gz CPRAQTJCPPOWQB-IBGZPJMESA-N -1 3 388.508 3.374 20 0 GGADHM O=C([O-])c1ccc(N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)s1 ZINC000911765054 982638709 /nfs/dbraw/zinc/63/87/09/982638709.db2.gz GECAPLJYJQTBCR-UHFFFAOYSA-N -1 3 399.516 3.005 20 0 GGADHM CC[C@H](C)C[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001594953094 982676930 /nfs/dbraw/zinc/67/69/30/982676930.db2.gz NCXNDKYGTUGMFZ-CABZTGNLSA-N -1 3 379.213 3.409 20 0 GGADHM CCCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@@H]1CCN(C)C1 ZINC001595821126 982688080 /nfs/dbraw/zinc/68/80/80/982688080.db2.gz JMWWDLSYFSBHQZ-GFCCVEGCSA-N -1 3 398.301 3.404 20 0 GGADHM CCCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC001595821317 982688768 /nfs/dbraw/zinc/68/87/68/982688768.db2.gz GHTNFOWTGKHPNR-GFCCVEGCSA-N -1 3 384.274 3.095 20 0 GGADHM CCCN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595822774 982694415 /nfs/dbraw/zinc/69/44/15/982694415.db2.gz NEASHDCGBCTBIS-KRWDZBQOSA-N -1 3 399.495 3.027 20 0 GGADHM CCCN(C)[C@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595836712 982744422 /nfs/dbraw/zinc/74/44/22/982744422.db2.gz KLASNXMSPVVTGZ-CQSZACIVSA-N -1 3 381.885 3.308 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001595837063 982746313 /nfs/dbraw/zinc/74/63/13/982746313.db2.gz SJZOSHKTKHCNSD-SFHVURJKSA-N -1 3 389.883 3.175 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001595837060 982746708 /nfs/dbraw/zinc/74/67/08/982746708.db2.gz SIKQDAFZZQDFFF-KRWDZBQOSA-N -1 3 375.856 3.246 20 0 GGADHM CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001595846514 982774326 /nfs/dbraw/zinc/77/43/26/982774326.db2.gz UUASBBTWUDWJMF-SCTDSRPQSA-N -1 3 382.545 3.052 20 0 GGADHM O=C([O-])[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCCCC1 ZINC000923172866 982820708 /nfs/dbraw/zinc/82/07/08/982820708.db2.gz DNHPSTLBYHTEMA-PMACEKPBSA-N -1 3 387.524 3.081 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccco1 ZINC001594994670 982882040 /nfs/dbraw/zinc/88/20/40/982882040.db2.gz ORUXFHJVDJRLKC-BLLLJJGKSA-N -1 3 377.416 3.046 20 0 GGADHM CCCN(CCc1cccs1)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595883922 982904507 /nfs/dbraw/zinc/90/45/07/982904507.db2.gz GMVORRNFVKGECV-IBGZPJMESA-N -1 3 386.517 3.041 20 0 GGADHM CCCN(CCc1cccs1)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595883924 982904722 /nfs/dbraw/zinc/90/47/22/982904722.db2.gz GMVORRNFVKGECV-LJQANCHMSA-N -1 3 386.517 3.041 20 0 GGADHM COCCCOc1cccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001119602900 983004074 /nfs/dbraw/zinc/00/40/74/983004074.db2.gz ZBICQFSBSOHVDI-CABCVRRESA-N -1 3 375.387 3.187 20 0 GGADHM CCCOc1ccc(CNC(=O)CN[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001595956042 983144672 /nfs/dbraw/zinc/14/46/72/983144672.db2.gz CYGRWBYYAUSABG-OAQYLSRUSA-N -1 3 376.497 3.105 20 0 GGADHM CCN(C)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cn1 ZINC001596194211 983577036 /nfs/dbraw/zinc/57/70/36/983577036.db2.gz FLVKKJGEBUBCDJ-GOSISDBHSA-N -1 3 392.297 3.390 20 0 GGADHM CCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CCCCC1 ZINC001596212361 983603376 /nfs/dbraw/zinc/60/33/76/983603376.db2.gz KMCGEJBMCQTWFV-UHFFFAOYSA-N -1 3 382.482 3.134 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccsc1 ZINC001596254571 983664001 /nfs/dbraw/zinc/66/40/01/983664001.db2.gz UKGPZUIOFRTBQY-GOSISDBHSA-N -1 3 389.521 3.258 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccsc1 ZINC001596254592 983664077 /nfs/dbraw/zinc/66/40/77/983664077.db2.gz VBSBYJJKBCSSJE-ZDUSSCGKSA-N -1 3 394.497 3.052 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1cc(F)cc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC001596254590 983664203 /nfs/dbraw/zinc/66/42/03/983664203.db2.gz VATKYYDZBVBYMM-LJQANCHMSA-N -1 3 388.439 3.345 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1cc(C(=O)[O-])on1)c1ccc(C(F)(F)F)cc1 ZINC001596254647 983664635 /nfs/dbraw/zinc/66/46/35/983664635.db2.gz WFGDUHJKIORGLL-CQSZACIVSA-N -1 3 399.369 3.205 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1cc(C(=O)[O-])on1)c1ccc(C(F)(F)F)cc1 ZINC001596254646 983664652 /nfs/dbraw/zinc/66/46/52/983664652.db2.gz WFGDUHJKIORGLL-AWEZNQCLSA-N -1 3 399.369 3.205 20 0 GGADHM CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001596266097 983685333 /nfs/dbraw/zinc/68/53/33/983685333.db2.gz ZQONFVRTYWRNRQ-UHFFFAOYSA-N -1 3 390.933 3.027 20 0 GGADHM CCN1C[C@@H](CN(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)Oc2ccccc21 ZINC001596396055 983938718 /nfs/dbraw/zinc/93/87/18/983938718.db2.gz MUSXGILXNCBRGX-QFBILLFUSA-N -1 3 384.476 3.258 20 0 GGADHM CCN1CC[C@H](N(C)S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C[C@H]1C ZINC001596407219 983976014 /nfs/dbraw/zinc/97/60/14/983976014.db2.gz BGXCUAWMIXPFTA-PBHICJAKSA-N -1 3 390.505 3.031 20 0 GGADHM CCN1CC[C@@H](NCc2cccc(C(=O)[O-])n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596410640 984003000 /nfs/dbraw/zinc/00/30/00/984003000.db2.gz SEHMWZMQOKFOQY-QAPCUYQASA-N -1 3 379.382 3.122 20 0 GGADHM CCN1CC[C@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596410639 984003027 /nfs/dbraw/zinc/00/30/27/984003027.db2.gz SEHMWZMQOKFOQY-MAUKXSAKSA-N -1 3 379.382 3.122 20 0 GGADHM CCN1CCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C[C@@H]1C ZINC001596436108 984115586 /nfs/dbraw/zinc/11/55/86/984115586.db2.gz GUOSNTOYYZGBNA-HNNXBMFYSA-N -1 3 388.464 3.091 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)c(C)c2)CC1 ZINC001596442050 984133180 /nfs/dbraw/zinc/13/31/80/984133180.db2.gz KKNCOUCGNQWWCY-UHFFFAOYSA-N -1 3 384.480 3.032 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)NC3(CC(=O)[O-])CCCCC3)cc2)CC1 ZINC001596442421 984136652 /nfs/dbraw/zinc/13/66/52/984136652.db2.gz SYWPZNMWHWXEQH-UHFFFAOYSA-N -1 3 388.512 3.128 20 0 GGADHM CCN1[C@H](C)CN(Cc2cc(OC)c(C(=O)[O-])cc2Br)C[C@@H]1C ZINC001596449413 984148850 /nfs/dbraw/zinc/14/88/50/984148850.db2.gz GBPQZXUQHWCVHH-TXEJJXNPSA-N -1 3 385.302 3.070 20 0 GGADHM CCOC(=O)[C@](C)(CNCc1ccccc1O[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001596515843 984295111 /nfs/dbraw/zinc/29/51/11/984295111.db2.gz JJWLUPBZEGJGQM-KSFYIVLOSA-N -1 3 385.460 3.149 20 0 GGADHM CCOC(=O)[C@@](C)(CNCc1ccccc1O[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001596515841 984295240 /nfs/dbraw/zinc/29/52/40/984295240.db2.gz JJWLUPBZEGJGQM-AOMKIAJQSA-N -1 3 385.460 3.149 20 0 GGADHM CCOC(=O)N1CCC(C)(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001596644602 984653987 /nfs/dbraw/zinc/65/39/87/984653987.db2.gz RLBBLXYRCNPUOA-UHFFFAOYSA-N -1 3 378.444 3.141 20 0 GGADHM CCOC(=O)c1ccc(-c2ccc(CN[C@@]3(CC(=O)[O-])CCCOC3)o2)cc1 ZINC001596713291 984933329 /nfs/dbraw/zinc/93/33/29/984933329.db2.gz GZYHVQIWUPZXLT-OAQYLSRUSA-N -1 3 387.432 3.237 20 0 GGADHM CCOC(=O)c1ccn(-c2cccc(CN[C@@H](C(=O)[O-])c3ccsc3)c2)n1 ZINC001596731742 985002062 /nfs/dbraw/zinc/00/20/62/985002062.db2.gz FZSOTLSCXNPMDM-QGZVFWFLSA-N -1 3 385.445 3.026 20 0 GGADHM CCOC(=O)c1cnn(C2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001596740652 985051796 /nfs/dbraw/zinc/05/17/96/985051796.db2.gz UXGYNSXINCDQSE-KRWDZBQOSA-N -1 3 391.855 3.176 20 0 GGADHM CCOC(=O)c1cnn(C2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)c1C ZINC001596742798 985054701 /nfs/dbraw/zinc/05/47/01/985054701.db2.gz CFVSYKKGILDGCG-UHFFFAOYSA-N -1 3 391.493 3.273 20 0 GGADHM CCOC(=O)c1sc(CC2CCN(Cc3ccoc3C(=O)[O-])CC2)nc1C ZINC001596755688 985130901 /nfs/dbraw/zinc/13/09/01/985130901.db2.gz FQPOJJDGKNVXPF-UHFFFAOYSA-N -1 3 392.477 3.374 20 0 GGADHM CCOC(=O)c1sc([C@@H]2CCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756588 985135857 /nfs/dbraw/zinc/13/58/57/985135857.db2.gz WICLGASOCDPZLQ-VXGBXAGGSA-N -1 3 378.450 3.470 20 0 GGADHM C[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599928006 985243391 /nfs/dbraw/zinc/24/33/91/985243391.db2.gz PBZPFJHFTPCPFF-NYHFZMIOSA-N -1 3 398.507 3.151 20 0 GGADHM C[C@H]1CN(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@]1(C)C(=O)[O-] ZINC001599928084 985245049 /nfs/dbraw/zinc/24/50/49/985245049.db2.gz WVMNMUCJJSEASP-HJPURHCSSA-N -1 3 393.487 3.362 20 0 GGADHM C[C@@H]1CN(CCN(C)[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC001599929581 985285363 /nfs/dbraw/zinc/28/53/63/985285363.db2.gz FXQGEJVTCCNXRZ-BFQNTYOBSA-N -1 3 375.296 3.160 20 0 GGADHM C[C@]12CCN(CC3(CC(=O)[O-])CC3)C[C@H]1C2(Br)Br ZINC001599938295 985423903 /nfs/dbraw/zinc/42/39/03/985423903.db2.gz ITWRELKBIQWBAB-KOLCDFICSA-N -1 3 381.108 3.069 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)[C@@H]1n1cccn1 ZINC001596833606 985470858 /nfs/dbraw/zinc/47/08/58/985470858.db2.gz PADDGJZIJSOAAX-JJXSEGSLSA-N -1 3 384.263 3.324 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)[C@@H]1n1cccn1 ZINC001596833605 985470865 /nfs/dbraw/zinc/47/08/65/985470865.db2.gz PADDGJZIJSOAAX-FZKCQIBNSA-N -1 3 384.263 3.324 20 0 GGADHM CCO[C@H]1C[C@](NCc2cc(OC)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596837118 985491087 /nfs/dbraw/zinc/49/10/87/985491087.db2.gz HHOFHYXUNFDYHM-YOEHRIQHSA-N -1 3 386.286 3.206 20 0 GGADHM CCO[C@@H]1C[C@](NCc2nc3cc(Br)ccc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838497 985506750 /nfs/dbraw/zinc/50/67/50/985506750.db2.gz SRGGSISYZZKDOT-DYVFJYSZSA-N -1 3 396.285 3.073 20 0 GGADHM CCO[C@H]1C[C@](NCc2cc(Br)cc(F)c2F)(C(=O)[O-])C1(C)C ZINC001596838770 985510159 /nfs/dbraw/zinc/51/01/59/985510159.db2.gz PGFUWRLZVYUTKY-LRDDRELGSA-N -1 3 392.240 3.475 20 0 GGADHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166503 985514023 /nfs/dbraw/zinc/51/40/23/985514023.db2.gz JTIOZTBDAVOGBW-PXAZEXFGSA-N -1 3 376.844 3.027 20 0 GGADHM CC(=O)Nc1cc(Cl)c(NC(=O)N(CCN(C)C)CC(C)C)cc1C(=O)[O-] ZINC001589172487 985531387 /nfs/dbraw/zinc/53/13/87/985531387.db2.gz LJXVUDHGOZENIE-UHFFFAOYSA-N -1 3 398.891 3.048 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)CCN1C1CCCC1 ZINC001594490149 985599472 /nfs/dbraw/zinc/59/94/72/985599472.db2.gz WMSAAEKUFVSDMG-LBPRGKRZSA-N -1 3 395.297 3.236 20 0 GGADHM CC(=O)Nc1ccc2c(CN(CCC(=O)[O-])Cc3ccccc3)cc(=O)oc2c1 ZINC001589204254 985659966 /nfs/dbraw/zinc/65/99/66/985659966.db2.gz QEXUSDVJNWNRSA-UHFFFAOYSA-N -1 3 394.427 3.228 20 0 GGADHM CC(=O)Nc1ccccc1CN(CC(=O)[O-])Cc1cccc(Br)c1 ZINC001589217891 985720857 /nfs/dbraw/zinc/72/08/57/985720857.db2.gz CYHTWFNTTABURL-UHFFFAOYSA-N -1 3 391.265 3.494 20 0 GGADHM CCOC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001596884257 985765615 /nfs/dbraw/zinc/76/56/15/985765615.db2.gz JZQCXIJSKJGRCO-QGZVFWFLSA-N -1 3 378.856 3.236 20 0 GGADHM Cc1[nH]c(CN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC001599962328 985811108 /nfs/dbraw/zinc/81/11/08/985811108.db2.gz GTPOQDYQMUMGNA-UHFFFAOYSA-N -1 3 379.501 3.490 20 0 GGADHM Cc1[nH]c(CN[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001599964078 985861290 /nfs/dbraw/zinc/86/12/90/985861290.db2.gz XUOKCQUVGHXJEV-MRXNPFEDSA-N -1 3 385.464 3.477 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cccc(Cl)c1Br ZINC001594525946 986043183 /nfs/dbraw/zinc/04/31/83/986043183.db2.gz PECSODLJCYSQOM-LLVKDONJSA-N -1 3 375.694 3.083 20 0 GGADHM CCOCCOC1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001596935146 986044458 /nfs/dbraw/zinc/04/44/58/986044458.db2.gz KPEHPBZFHFKMSJ-MRXNPFEDSA-N -1 3 375.387 3.349 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Cl)cc(Br)c1 ZINC001594526350 986051042 /nfs/dbraw/zinc/05/10/42/986051042.db2.gz VSXXZGZYNDBYJN-LLVKDONJSA-N -1 3 375.694 3.083 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CNCc3ccc(C(=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC001594539912 986172866 /nfs/dbraw/zinc/17/28/66/986172866.db2.gz VPIAHVJECMTRJN-IYBDPMFKSA-N -1 3 386.467 3.423 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CNCc3ccc(C(=O)[O-])cc3F)cc2)C[C@@H](C)O1 ZINC001594539910 986172906 /nfs/dbraw/zinc/17/29/06/986172906.db2.gz VPIAHVJECMTRJN-HZPDHXFCSA-N -1 3 386.467 3.423 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543829 986196463 /nfs/dbraw/zinc/19/64/63/986196463.db2.gz BQJXAXLODJATCW-UZUQRXQVSA-N -1 3 398.478 3.389 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544149 986197523 /nfs/dbraw/zinc/19/75/23/986197523.db2.gz DLIBFSAICMBRLH-IIBYNOLFSA-N -1 3 386.517 3.312 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544144 986198424 /nfs/dbraw/zinc/19/84/24/986198424.db2.gz DLIBFSAICMBRLH-HRAATJIYSA-N -1 3 386.517 3.312 20 0 GGADHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594547058 986219899 /nfs/dbraw/zinc/21/98/99/986219899.db2.gz DVIJAOZPBMAZOS-NWDGAFQWSA-N -1 3 397.306 3.402 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001589349105 986298520 /nfs/dbraw/zinc/29/85/20/986298520.db2.gz FCXKFONAVRCQFI-HNNXBMFYSA-N -1 3 392.927 3.306 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349336 986300058 /nfs/dbraw/zinc/30/00/58/986300058.db2.gz GDMATJSWCFLUIY-CZUORRHYSA-N -1 3 398.425 3.206 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349326 986300181 /nfs/dbraw/zinc/30/01/81/986300181.db2.gz GDMATJSWCFLUIY-BBRMVZONSA-N -1 3 398.425 3.206 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001589349725 986302490 /nfs/dbraw/zinc/30/24/90/986302490.db2.gz KGEDCYPIYUVYQF-QAPCUYQASA-N -1 3 383.492 3.059 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001589350749 986313193 /nfs/dbraw/zinc/31/31/93/986313193.db2.gz UERHFHMEHJPDAF-HNNXBMFYSA-N -1 3 383.492 3.059 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCC(=O)Nc1cccc(F)c1 ZINC001594569860 986385915 /nfs/dbraw/zinc/38/59/15/986385915.db2.gz NJUBMTLCUBODPY-OAHLLOKOSA-N -1 3 385.439 3.063 20 0 GGADHM C[C@@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)N1CCC(Cc2ccccc2)CC1 ZINC001589365495 986391591 /nfs/dbraw/zinc/39/15/91/986391591.db2.gz TZEJMLIWNZNJNJ-WGGBDISSSA-N -1 3 384.520 3.185 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC001594570640 986393989 /nfs/dbraw/zinc/39/39/89/986393989.db2.gz SQNMNGXLENIKTP-FOIQADDNSA-N -1 3 388.895 3.152 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCC(=O)Nc1ccccc1F ZINC001594570800 986396983 /nfs/dbraw/zinc/39/69/83/986396983.db2.gz VCGLOUACRJGLJU-OAHLLOKOSA-N -1 3 385.439 3.063 20 0 GGADHM C[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC001589368509 986399535 /nfs/dbraw/zinc/39/95/35/986399535.db2.gz CHSZMBGRAPMDBM-MEKIYTOJSA-N -1 3 398.547 3.433 20 0 GGADHM C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cc(C(=O)[O-])cs1 ZINC001594578399 986431367 /nfs/dbraw/zinc/43/13/67/986431367.db2.gz YQSPCCCLMBUJGT-MJBXVCDLSA-N -1 3 375.494 3.306 20 0 GGADHM CCOc1cc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc(Br)c1O ZINC001597030430 986443955 /nfs/dbraw/zinc/44/39/55/986443955.db2.gz AXUFWXNDBDDJMD-SJCJKPOMSA-N -1 3 384.270 3.240 20 0 GGADHM CCOc1cc(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc(Cl)c1O ZINC001597031145 986447238 /nfs/dbraw/zinc/44/72/38/986447238.db2.gz JEBAIFRAWWWPNU-LJQANCHMSA-N -1 3 383.872 3.026 20 0 GGADHM CCOc1cc(CN2CC[C@@H](O)C2(C)C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031565 986448785 /nfs/dbraw/zinc/44/87/85/986448785.db2.gz LMKZQQRRYBBECX-LJQANCHMSA-N -1 3 389.448 3.301 20 0 GGADHM CCOc1cc(CN2CCC(C)(O)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032963 986458868 /nfs/dbraw/zinc/45/88/68/986458868.db2.gz WPKGQNJWMHYLGY-UHFFFAOYSA-N -1 3 389.448 3.302 20 0 GGADHM CCOc1cc(CN(C)[C@H]2CCOC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597034126 986467373 /nfs/dbraw/zinc/46/73/73/986467373.db2.gz WFKITIDDTJULME-HNNXBMFYSA-N -1 3 375.421 3.176 20 0 GGADHM CCOc1ccc(-c2nc(CN3CCN(C(C)(C)C(=O)[O-])CC3)cs2)cc1 ZINC001597049130 986517050 /nfs/dbraw/zinc/51/70/50/986517050.db2.gz BXRXGGLQDVKESJ-UHFFFAOYSA-N -1 3 389.521 3.190 20 0 GGADHM CCOc1ccc(-c2nc(CN[C@H](C(=O)[O-])[C@@H]3CCC[C@H](OC)C3)co2)cc1 ZINC001597049206 986517702 /nfs/dbraw/zinc/51/77/02/986517702.db2.gz FNVPNFDTTJDIQZ-MNEFBYGVSA-N -1 3 388.464 3.488 20 0 GGADHM CCOc1ccc(C[C@@H](CNCc2ccc(C(=O)[O-])cc2F)C(=O)OC)cc1 ZINC001597094777 986683021 /nfs/dbraw/zinc/68/30/21/986683021.db2.gz HRHPTUMYGKORQF-KRWDZBQOSA-N -1 3 389.423 3.044 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440293 986785225 /nfs/dbraw/zinc/78/52/25/986785225.db2.gz WEVANQAJTMFSBX-QMHKHESXSA-N -1 3 396.487 3.249 20 0 GGADHM C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589445797 986816128 /nfs/dbraw/zinc/81/61/28/986816128.db2.gz WVEIGCJYZAKYCG-WAIKUNEKSA-N -1 3 389.455 3.290 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC001589616296 987477460 /nfs/dbraw/zinc/47/74/60/987477460.db2.gz UPTUNTBWMYLTIL-MRXNPFEDSA-N -1 3 376.884 3.346 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC001589616295 987477466 /nfs/dbraw/zinc/47/74/66/987477466.db2.gz UPTUNTBWMYLTIL-INIZCTEOSA-N -1 3 376.884 3.346 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC001589622685 987506422 /nfs/dbraw/zinc/50/64/22/987506422.db2.gz HHKLMRKJEDIBOP-LJQANCHMSA-N -1 3 399.466 3.106 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC001589622683 987506629 /nfs/dbraw/zinc/50/66/29/987506629.db2.gz HHKLMRKJEDIBOP-IBGZPJMESA-N -1 3 399.466 3.106 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC001589623016 987509682 /nfs/dbraw/zinc/50/96/82/987509682.db2.gz ONIVGMCEVKYGQC-GOSISDBHSA-N -1 3 391.487 3.247 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@@H]2CCc3cccc4cccc2c43)CC1 ZINC001589623481 987515111 /nfs/dbraw/zinc/51/51/11/987515111.db2.gz LHWTVOHBVYFRBZ-GOSISDBHSA-N -1 3 381.476 3.018 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)CC1 ZINC001589627765 987523707 /nfs/dbraw/zinc/52/37/07/987523707.db2.gz KOEWELJSPIDOGH-UHFFFAOYSA-N -1 3 397.475 3.278 20 0 GGADHM CCc1[nH]c(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)c(C)c1C(=O)[O-] ZINC001597362122 987525208 /nfs/dbraw/zinc/52/52/08/987525208.db2.gz RKTYVWFJBZUSNW-QAPCUYQASA-N -1 3 381.476 3.340 20 0 GGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC001589710268 987832517 /nfs/dbraw/zinc/83/25/17/987832517.db2.gz KVOHZEOFYOOCNA-HNNXBMFYSA-N -1 3 396.534 3.193 20 0 GGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC001589710269 987832810 /nfs/dbraw/zinc/83/28/10/987832810.db2.gz KVOHZEOFYOOCNA-OAHLLOKOSA-N -1 3 396.534 3.193 20 0 GGADHM CCc1ccc(C(C)(C)NCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC001597508772 988088088 /nfs/dbraw/zinc/08/80/88/988088088.db2.gz UJYPPADHHAVDHB-UHFFFAOYSA-N -1 3 398.459 3.197 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])s2)N(C)C)cc1 ZINC001597512649 988099201 /nfs/dbraw/zinc/09/92/01/988099201.db2.gz BLCDMFXVHBJRCF-MRXNPFEDSA-N -1 3 375.494 3.111 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)N(C)C)cc1 ZINC001597513009 988103955 /nfs/dbraw/zinc/10/39/55/988103955.db2.gz ILEODDXHNKLMQB-SFHVURJKSA-N -1 3 385.464 3.380 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)N(C)C)cc1 ZINC001597513574 988113454 /nfs/dbraw/zinc/11/34/54/988113454.db2.gz XPURJIFRRIOGHG-LJQANCHMSA-N -1 3 399.491 3.058 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001589806158 988227799 /nfs/dbraw/zinc/22/77/99/988227799.db2.gz LUCQQVVWHLDKKG-INIZCTEOSA-N -1 3 387.249 3.298 20 0 GGADHM CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001589816115 988257936 /nfs/dbraw/zinc/25/79/36/988257936.db2.gz VMEDMQVNSDYEDS-INIZCTEOSA-N -1 3 379.526 3.389 20 0 GGADHM CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001589816556 988261971 /nfs/dbraw/zinc/26/19/71/988261971.db2.gz YFRLRPRLLXPSMU-JTQLQIEISA-N -1 3 384.274 3.142 20 0 GGADHM CCc1ccc2c(CN[C@H](C(=O)[O-])c3ccc4c(c3)CCO4)cc(=O)oc2c1 ZINC001597563472 988316085 /nfs/dbraw/zinc/31/60/85/988316085.db2.gz MUPOBAAWIVNXFC-NRFANRHFSA-N -1 3 379.412 3.206 20 0 GGADHM CSc1ccc([C@H](CNC(=O)c2ccccc2CCC(=O)[O-])N(C)C)cc1 ZINC001599811272 988338530 /nfs/dbraw/zinc/33/85/30/988338530.db2.gz BPYNEEJFCRUDQR-IBGZPJMESA-N -1 3 386.517 3.458 20 0 GGADHM CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNCc1ccc(/C=C\C(=O)[O-])o1)O2 ZINC001589860096 988423594 /nfs/dbraw/zinc/42/35/94/988423594.db2.gz HRLPYCXPGHYOFM-RJGBTMOLSA-N -1 3 391.464 3.137 20 0 GGADHM CSc1ccc(NC(=O)[C@@H](C)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815929 988424265 /nfs/dbraw/zinc/42/42/65/988424265.db2.gz JDYCMLJTHUFQNK-QVKFZJNVSA-N -1 3 384.501 3.464 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN([C@@H]2C[C@@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867185 988482747 /nfs/dbraw/zinc/48/27/47/988482747.db2.gz UHKDEWRXFKKNHS-DWWRDXDESA-N -1 3 389.467 3.436 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN(CCc2ccc(F)c(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867450 988488642 /nfs/dbraw/zinc/48/86/42/988488642.db2.gz XBMZTMVEMCTSDU-DBWCEAHUSA-N -1 3 395.446 3.262 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CN(CCc2ccc(F)c(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867451 988488867 /nfs/dbraw/zinc/48/88/67/988488867.db2.gz XBMZTMVEMCTSDU-FAGJFJLWSA-N -1 3 395.446 3.262 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CN(CCc2c(F)cccc2F)CC12CC(C(=O)[O-])C2 ZINC001589867490 988488983 /nfs/dbraw/zinc/48/89/83/988488983.db2.gz XRRJOPFPGQWXFF-DYDLGINISA-N -1 3 395.446 3.262 20 0 GGADHM CSc1cccc(N(C(=O)c2cc(C(=O)[O-])ccn2)C2CCN(C)CC2)c1 ZINC001599822825 988543834 /nfs/dbraw/zinc/54/38/34/988543834.db2.gz XWIJWNJWDMAKOB-UHFFFAOYSA-N -1 3 385.489 3.243 20 0 GGADHM CSc1ccccc1OC[C@H](O)CN(Cc1ccc(C(=O)[O-])o1)C(C)C ZINC001599825103 988586019 /nfs/dbraw/zinc/58/60/19/988586019.db2.gz HMFJOBRMTQVKSF-CQSZACIVSA-N -1 3 379.478 3.350 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C\c1ccc(F)cc1)C[C@@H]2C(=O)[O-] ZINC001589947560 988736321 /nfs/dbraw/zinc/73/63/21/988736321.db2.gz GBZYCYOTJJWTTC-VGOKWCNXSA-N -1 3 390.455 3.092 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C/c1cccc(F)c1)C[C@H]2C(=O)[O-] ZINC001589947594 988736587 /nfs/dbraw/zinc/73/65/87/988736587.db2.gz GGMGKXIDLFJTTD-UABRLCRWSA-N -1 3 390.455 3.092 20 0 GGADHM CCc1nc(C2CCN(Cc3ccc(C(=O)[O-])cc3Br)CC2)n[nH]1 ZINC001597663165 988740935 /nfs/dbraw/zinc/74/09/35/988740935.db2.gz LZICOKLYMVRDQW-UHFFFAOYSA-N -1 3 393.285 3.207 20 0 GGADHM CCc1n[nH]c(C2CCN(Cc3ccc(C(=O)[O-])cc3Br)CC2)n1 ZINC001597663165 988740940 /nfs/dbraw/zinc/74/09/40/988740940.db2.gz LZICOKLYMVRDQW-UHFFFAOYSA-N -1 3 393.285 3.207 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(C2(NCc3ccc(C(=O)[O-])cn3)CC2)CC1 ZINC001589971668 988799233 /nfs/dbraw/zinc/79/92/33/988799233.db2.gz AYOBYTLBFYDTTD-UHFFFAOYSA-N -1 3 375.469 3.049 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972025 988807409 /nfs/dbraw/zinc/80/74/09/988807409.db2.gz OPIYMALPNMANLI-SJORKVTESA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](CCN2CCOc3c(cccc3C(=O)[O-])C2)C1 ZINC001589973098 988814622 /nfs/dbraw/zinc/81/46/22/988814622.db2.gz CCHHPUVGMYLXEK-HNNXBMFYSA-N -1 3 390.480 3.226 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCOc3c(cccc3C(=O)[O-])C2)C1 ZINC001589973099 988815081 /nfs/dbraw/zinc/81/50/81/988815081.db2.gz CCHHPUVGMYLXEK-OAHLLOKOSA-N -1 3 390.480 3.226 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2ccccc2F)C12CCC2 ZINC001589984415 988871457 /nfs/dbraw/zinc/87/14/57/988871457.db2.gz XXIANAFAHFCRCQ-JKSUJKDBSA-N -1 3 378.444 3.473 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2ccccc2F)C12CCC2 ZINC001589984413 988872053 /nfs/dbraw/zinc/87/20/53/988872053.db2.gz XXIANAFAHFCRCQ-HZPDHXFCSA-N -1 3 378.444 3.473 20 0 GGADHM CC(C)(C)OC(=O)N1CCC12CCN(CCOc1cccc(C(=O)[O-])c1)CC2 ZINC001589990550 988891132 /nfs/dbraw/zinc/89/11/32/988891132.db2.gz ATRMIGHFCZVFEJ-UHFFFAOYSA-N -1 3 390.480 3.239 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001589995214 988914425 /nfs/dbraw/zinc/91/44/25/988914425.db2.gz QZLGFOKTJAUZLW-MWWKQMNYSA-N -1 3 376.453 3.257 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2CCOc1cccc(C(=O)[O-])c1 ZINC001590005253 988949673 /nfs/dbraw/zinc/94/96/73/988949673.db2.gz OVKYPVRONQNOPB-ZWKOTPCHSA-N -1 3 390.480 3.237 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCOc1cccc(C(=O)[O-])c1 ZINC001590005246 988949966 /nfs/dbraw/zinc/94/99/66/988949966.db2.gz OVKYPVRONQNOPB-MSOLQXFVSA-N -1 3 390.480 3.237 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005285 988950909 /nfs/dbraw/zinc/95/09/09/988950909.db2.gz PJSSWAFXZXPMBA-RDJZCZTQSA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC001590011143 988961774 /nfs/dbraw/zinc/96/17/74/988961774.db2.gz BIZGPUUSQWNODT-HNNXBMFYSA-N -1 3 390.480 3.226 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(CCOC2CCCCCC2)[C@H](C(=O)[O-])C1 ZINC001590034691 989048642 /nfs/dbraw/zinc/04/86/42/989048642.db2.gz JTIUICPDDGIJGI-KRWDZBQOSA-N -1 3 384.517 3.122 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C[C@@H]2CC3(CO2)CCCCC3)[C@H](C(=O)[O-])C1 ZINC001590034977 989054009 /nfs/dbraw/zinc/05/40/09/989054009.db2.gz NWZPPCJECAMSGT-IRXDYDNUSA-N -1 3 396.528 3.122 20 0 GGADHM CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001597735168 989074388 /nfs/dbraw/zinc/07/43/88/989074388.db2.gz NANGMZLHCFLPLE-VHSXEESVSA-N -1 3 396.900 3.205 20 0 GGADHM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001597735164 989074449 /nfs/dbraw/zinc/07/44/49/989074449.db2.gz NANGMZLHCFLPLE-NXEZZACHSA-N -1 3 396.900 3.205 20 0 GGADHM CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001597735170 989074824 /nfs/dbraw/zinc/07/48/24/989074824.db2.gz NANGMZLHCFLPLE-ZJUUUORDSA-N -1 3 396.900 3.205 20 0 GGADHM CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2C(=O)[O-])C(C)(C)CC1 ZINC001590057569 989098389 /nfs/dbraw/zinc/09/83/89/989098389.db2.gz FIPAFGIIABNFGE-UHFFFAOYSA-N -1 3 392.496 3.485 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CN[C@@](C)(CC(=O)[O-])C3CC3)sc2C1 ZINC001590085122 989200609 /nfs/dbraw/zinc/20/06/09/989200609.db2.gz RBPHQKINSKFNKP-IBGZPJMESA-N -1 3 395.525 3.169 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CN[C@](C)(CC(=O)[O-])C3CC3)sc2C1 ZINC001590085123 989200707 /nfs/dbraw/zinc/20/07/07/989200707.db2.gz RBPHQKINSKFNKP-LJQANCHMSA-N -1 3 395.525 3.169 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001597766138 989208997 /nfs/dbraw/zinc/20/89/97/989208997.db2.gz DQFCLBKYPZPUMF-UYAOXDASSA-N -1 3 384.476 3.016 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599864744 989228250 /nfs/dbraw/zinc/22/82/50/989228250.db2.gz HIICGAWTMXPARZ-OAHLLOKOSA-N -1 3 397.475 3.255 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599865562 989247149 /nfs/dbraw/zinc/24/71/49/989247149.db2.gz LEHJVLMSWIZDPU-VMMSNCAXSA-N -1 3 390.480 3.008 20 0 GGADHM CCc1oc(CN2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)cc1C(=O)[O-] ZINC001597796333 989353070 /nfs/dbraw/zinc/35/30/70/989353070.db2.gz LVFDMYNOOBBUNP-UHFFFAOYSA-N -1 3 378.469 3.373 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CN1CCC2(C[C@@H]2C(=O)[O-])CC1)CC(F)(F)F ZINC001590125085 989357899 /nfs/dbraw/zinc/35/78/99/989357899.db2.gz TYRYJOCFRBNARW-NWDGAFQWSA-N -1 3 380.407 3.019 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNCc2ccccc2OCC(=O)[O-])CCCC1 ZINC001590133962 989384774 /nfs/dbraw/zinc/38/47/74/989384774.db2.gz YBIKNIDUMSNUQS-UHFFFAOYSA-N -1 3 378.469 3.077 20 0 GGADHM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(CCOc1ccccc1C(=O)[O-])C2 ZINC001590137560 989386618 /nfs/dbraw/zinc/38/66/18/989386618.db2.gz AXXGHWSWHGDALG-QVKFZJNVSA-N -1 3 390.480 3.143 20 0 GGADHM CCc1oc(CNC[C@@H](CO)Cc2cccc(Br)c2)cc1C(=O)[O-] ZINC001597801744 989397028 /nfs/dbraw/zinc/39/70/28/989397028.db2.gz IQLHLDLTTVAKMB-ZDUSSCGKSA-N -1 3 396.281 3.244 20 0 GGADHM CCc1oc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C(=O)[O-] ZINC001597803033 989404031 /nfs/dbraw/zinc/40/40/31/989404031.db2.gz YHJYMOSTGNLVSL-CQSZACIVSA-N -1 3 384.411 3.042 20 0 GGADHM CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@H](C(=O)[O-])c1ccccc1F ZINC001590169926 989492708 /nfs/dbraw/zinc/49/27/08/989492708.db2.gz NZKDPDAUMBDMGJ-FOCKTWCOSA-N -1 3 378.444 3.473 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@]12CN(Cc3ccc(C(=O)[O-])cn3)C[C@H]1CCCC2 ZINC001590170976 989497441 /nfs/dbraw/zinc/49/74/41/989497441.db2.gz UPFIXPUDPBQLJK-IERDGZPVSA-N -1 3 389.496 3.297 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc2c1CCN(C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C2 ZINC001590319260 989753636 /nfs/dbraw/zinc/75/36/36/989753636.db2.gz ZCLNJZWTVDTAAE-UKRRQHHQSA-N -1 3 382.407 3.358 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc2c1CCN(C[C@H]1[C@H](C(=O)[O-])C1(F)F)C2 ZINC001590319258 989753789 /nfs/dbraw/zinc/75/37/89/989753789.db2.gz ZCLNJZWTVDTAAE-DZGCQCFKSA-N -1 3 382.407 3.358 20 0 GGADHM CC(C)(C)OC(=O)Nc1cnc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cn1 ZINC001590320084 989760145 /nfs/dbraw/zinc/76/01/45/989760145.db2.gz VDMQSFZHMZPDQM-IAGOWNOFSA-N -1 3 398.463 3.124 20 0 GGADHM CC(C)(C)c1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)s1 ZINC001590487228 990086964 /nfs/dbraw/zinc/08/69/64/990086964.db2.gz INMMIZMDFUQNPD-UHFFFAOYSA-N -1 3 395.546 3.335 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001590702649 990428582 /nfs/dbraw/zinc/42/85/82/990428582.db2.gz JBYCYZZGLQIVPL-UHFFFAOYSA-N -1 3 397.541 3.399 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1 ZINC001598170028 990695926 /nfs/dbraw/zinc/69/59/26/990695926.db2.gz JBECJGIZFFCJFB-GOSISDBHSA-N -1 3 378.432 3.357 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)Cc1ccccc1 ZINC001598174214 990720780 /nfs/dbraw/zinc/72/07/80/990720780.db2.gz WNEGCOQHMUFDSA-HSALFYBXSA-N -1 3 381.476 3.169 20 0 GGADHM CN(C)C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001598200402 990812981 /nfs/dbraw/zinc/81/29/81/990812981.db2.gz FBSQOGOPWWTDIF-CQSZACIVSA-N -1 3 381.885 3.202 20 0 GGADHM CN(C)C[C@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001598200558 990815339 /nfs/dbraw/zinc/81/53/39/990815339.db2.gz LYRRWAZLXWBQCE-SFHVURJKSA-N -1 3 389.883 3.069 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccc(F)cc1 ZINC001598200870 990818757 /nfs/dbraw/zinc/81/87/57/990818757.db2.gz TXVOHOPCLFJULC-GOSISDBHSA-N -1 3 396.422 3.497 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001598202932 990827757 /nfs/dbraw/zinc/82/77/57/990827757.db2.gz OFJBYDUZEKDDEE-AWEZNQCLSA-N -1 3 381.354 3.227 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccc(F)cc1 ZINC001598203118 990828817 /nfs/dbraw/zinc/82/88/17/990828817.db2.gz QBKLXSJIVBLNDZ-SFHVURJKSA-N -1 3 384.411 3.430 20 0 GGADHM CN(C)C[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001598203407 990830023 /nfs/dbraw/zinc/83/00/23/990830023.db2.gz VGPKVLMBESDWOY-GOSISDBHSA-N -1 3 399.878 3.481 20 0 GGADHM CN(C)CCN(C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CCCC1 ZINC001598223156 990900176 /nfs/dbraw/zinc/90/01/76/990900176.db2.gz COOANRBMHWFRQL-UHFFFAOYSA-N -1 3 398.301 3.485 20 0 GGADHM CN(C)CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C1CCCC1 ZINC001598223856 990904589 /nfs/dbraw/zinc/90/45/89/990904589.db2.gz RXSGOOJEYWFVLB-UHFFFAOYSA-N -1 3 399.438 3.367 20 0 GGADHM CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC001598225387 990914294 /nfs/dbraw/zinc/91/42/94/990914294.db2.gz JABDHKZIAUCCNC-UHFFFAOYSA-N -1 3 399.329 3.230 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001598225433 990915847 /nfs/dbraw/zinc/91/58/47/990915847.db2.gz KUNADZQCNFFAMW-UHFFFAOYSA-N -1 3 387.455 3.091 20 0 GGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCCC(=O)[O-] ZINC001598225646 990916676 /nfs/dbraw/zinc/91/66/76/990916676.db2.gz QHXYKAQABJBACZ-UHFFFAOYSA-N -1 3 389.418 3.034 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001598228346 990921327 /nfs/dbraw/zinc/92/13/27/990921327.db2.gz HCMBRCVPOTUCTE-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001598228629 990922220 /nfs/dbraw/zinc/92/22/20/990922220.db2.gz NGESUIMSNVWMDS-UHFFFAOYSA-N -1 3 395.912 3.373 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598228662 990923855 /nfs/dbraw/zinc/92/38/55/990923855.db2.gz PXPMINRWAOCVEP-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001598229005 990924278 /nfs/dbraw/zinc/92/42/78/990924278.db2.gz GCGGCYFRLMIKSH-UHFFFAOYSA-N -1 3 385.489 3.061 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598228904 990924522 /nfs/dbraw/zinc/92/45/22/990924522.db2.gz QLHKTMXBSUVFIX-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001598229114 990925963 /nfs/dbraw/zinc/92/59/63/990925963.db2.gz WMCRSWVCVPOBBL-UHFFFAOYSA-N -1 3 384.480 3.047 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001598229324 990927268 /nfs/dbraw/zinc/92/72/68/990927268.db2.gz IPRLXYZCWWSRAI-UHFFFAOYSA-N -1 3 375.494 3.361 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001598229783 990930981 /nfs/dbraw/zinc/93/09/81/990930981.db2.gz VTWCOHHRLOLQHV-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938491 990963839 /nfs/dbraw/zinc/96/38/39/990963839.db2.gz FRYCWJSRCGCXNK-XJKSGUPXSA-N -1 3 386.414 3.315 20 0 GGADHM CC(C)C(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938490 990963931 /nfs/dbraw/zinc/96/39/31/990963931.db2.gz FRYCWJSRCGCXNK-CZUORRHYSA-N -1 3 386.414 3.315 20 0 GGADHM CC(C)C(=O)NC[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938488 990964009 /nfs/dbraw/zinc/96/40/09/990964009.db2.gz FRYCWJSRCGCXNK-BBRMVZONSA-N -1 3 386.414 3.315 20 0 GGADHM COc1cccc([C@H](NCc2c[nH]c(C(=O)OCc3ccccc3)c2)C(=O)[O-])c1 ZINC001599688038 991019355 /nfs/dbraw/zinc/01/93/55/991019355.db2.gz NCQJERBFQFIYAD-FQEVSTJZSA-N -1 3 394.427 3.296 20 0 GGADHM COc1ccccc1-c1cccc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC001599692129 991086906 /nfs/dbraw/zinc/08/69/06/991086906.db2.gz LWVCNSVUFJKXMZ-UHFFFAOYSA-N -1 3 397.475 3.375 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001590980908 991135410 /nfs/dbraw/zinc/13/54/10/991135410.db2.gz MGMNWYNPIACBIN-RTBURBONSA-N -1 3 387.524 3.039 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001590980905 991135800 /nfs/dbraw/zinc/13/58/00/991135800.db2.gz MGMNWYNPIACBIN-RBUKOAKNSA-N -1 3 387.524 3.039 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590981260 991139141 /nfs/dbraw/zinc/13/91/41/991139141.db2.gz RYOZSGCXOFYMOC-KRWDZBQOSA-N -1 3 389.521 3.402 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590981261 991139546 /nfs/dbraw/zinc/13/95/46/991139546.db2.gz RYOZSGCXOFYMOC-QGZVFWFLSA-N -1 3 389.521 3.402 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001598295208 991225252 /nfs/dbraw/zinc/22/52/52/991225252.db2.gz SWJWHGRESZSTFC-UHFFFAOYSA-N -1 3 396.491 3.191 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001598298618 991235456 /nfs/dbraw/zinc/23/54/56/991235456.db2.gz OWAKZFDUXRCBLE-GOSISDBHSA-N -1 3 396.491 3.237 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001598298619 991235724 /nfs/dbraw/zinc/23/57/24/991235724.db2.gz OWAKZFDUXRCBLE-SFHVURJKSA-N -1 3 396.491 3.237 20 0 GGADHM CN(C)c1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)cn1 ZINC001598318003 991309961 /nfs/dbraw/zinc/30/99/61/991309961.db2.gz UFZVBMGYKLDFDT-MRXNPFEDSA-N -1 3 378.270 3.168 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC001591025329 991324735 /nfs/dbraw/zinc/32/47/35/991324735.db2.gz PHLJXQNVCISHTI-RBUKOAKNSA-N -1 3 390.867 3.325 20 0 GGADHM COc1ccccc1NC(=O)C1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001599714726 991432819 /nfs/dbraw/zinc/43/28/19/991432819.db2.gz IBYHNFPCHQYOMX-UHFFFAOYSA-N -1 3 397.475 3.450 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001591094362 991671309 /nfs/dbraw/zinc/67/13/09/991671309.db2.gz JLHAFYHRKNIIBG-PKOBYXMFSA-N -1 3 387.524 3.137 20 0 GGADHM CN(CC(C)(C)CN1CCOCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598423608 991761658 /nfs/dbraw/zinc/76/16/58/991761658.db2.gz KFXGLLQGHOXWAH-INIZCTEOSA-N -1 3 389.323 3.409 20 0 GGADHM CN(CC(F)F)C1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001598430291 991792633 /nfs/dbraw/zinc/79/26/33/991792633.db2.gz HSTIZKWMQMZQEM-OAHLLOKOSA-N -1 3 380.357 3.492 20 0 GGADHM CN(C[C@H](O)c1cccc(Br)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598437293 991842978 /nfs/dbraw/zinc/84/29/78/991842978.db2.gz QDDAQUOLDOXSAF-JKSUJKDBSA-N -1 3 382.229 3.379 20 0 GGADHM CN(C[C@@H]1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1)C(=O)OC(C)(C)C ZINC001598463033 991968548 /nfs/dbraw/zinc/96/85/48/991968548.db2.gz SEMSJJBDGGAHKO-ZDUSSCGKSA-N -1 3 377.485 3.279 20 0 GGADHM CN(C[C@@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1)C(=O)OC(C)(C)C ZINC001598463152 991968876 /nfs/dbraw/zinc/96/88/76/991968876.db2.gz VGKLZNQVLNXXKR-HNNXBMFYSA-N -1 3 391.512 3.211 20 0 GGADHM CN(CCCN1C(=O)c2ccccc2C1=O)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001598478652 992114653 /nfs/dbraw/zinc/11/46/53/992114653.db2.gz LXKXEZCNFYJTOA-QGZVFWFLSA-N -1 3 386.835 3.084 20 0 GGADHM CC(C)CN(CC(F)(F)F)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591320541 992285034 /nfs/dbraw/zinc/28/50/34/992285034.db2.gz MENDNMMFGMRBBD-INIZCTEOSA-N -1 3 388.430 3.475 20 0 GGADHM CC(C)CN(CC(F)(F)F)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591320542 992285292 /nfs/dbraw/zinc/28/52/92/992285292.db2.gz MENDNMMFGMRBBD-MRXNPFEDSA-N -1 3 388.430 3.475 20 0 GGADHM C[S@@](=O)C[C@H](NCCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001599775348 992294747 /nfs/dbraw/zinc/29/47/47/992294747.db2.gz MQDOUGFJQDUIDL-IVCQMTBJSA-N -1 3 381.881 3.126 20 0 GGADHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC001591331109 992302344 /nfs/dbraw/zinc/30/23/44/992302344.db2.gz CBNVDZMGPBOAOZ-UHFFFAOYSA-N -1 3 391.693 3.474 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591339832 992319529 /nfs/dbraw/zinc/31/95/29/992319529.db2.gz WXTJRWPTDVXNED-OAHLLOKOSA-N -1 3 389.418 3.217 20 0 GGADHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001598498599 992397788 /nfs/dbraw/zinc/39/77/88/992397788.db2.gz CTZJADHBGXETKH-MLPAPPSSSA-N -1 3 394.471 3.187 20 0 GGADHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001598498897 992402830 /nfs/dbraw/zinc/40/28/30/992402830.db2.gz VJEOAGBEPNCARQ-JEZWAEDTSA-N -1 3 390.480 3.104 20 0 GGADHM CN(CCOc1cccc(C(=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC001598499221 992408883 /nfs/dbraw/zinc/40/88/83/992408883.db2.gz FIRYFKZOJBYZQM-KRWDZBQOSA-N -1 3 394.265 3.192 20 0 GGADHM CC(C)CNC(=O)c1cccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001591378464 992416006 /nfs/dbraw/zinc/41/60/06/992416006.db2.gz IQIFWCNLSKRHQT-MRXNPFEDSA-N -1 3 387.505 3.217 20 0 GGADHM CN(CCc1cnccn1)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598502856 992458067 /nfs/dbraw/zinc/45/80/67/992458067.db2.gz OPTZQDBRODLNKJ-UHFFFAOYSA-N -1 3 377.444 3.428 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001598503768 992472505 /nfs/dbraw/zinc/47/25/05/992472505.db2.gz WOWQVJGXURSFAK-OAQYLSRUSA-N -1 3 380.488 3.440 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])N(C)C)cc1 ZINC001591484901 992614163 /nfs/dbraw/zinc/61/41/63/992614163.db2.gz WVXIYEAWAVHRJZ-RTBURBONSA-N -1 3 375.513 3.137 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N(C)C)cc1 ZINC001591484899 992614174 /nfs/dbraw/zinc/61/41/74/992614174.db2.gz WVXIYEAWAVHRJZ-OALUTQOASA-N -1 3 375.513 3.137 20 0 GGADHM CN(Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598523556 992689623 /nfs/dbraw/zinc/68/96/23/992689623.db2.gz GZRVENAXVRHFQB-UHFFFAOYSA-N -1 3 387.386 3.450 20 0 GGADHM CC(C)N(C)Cc1cc(O[C@@H]2CCN([C@H](C(=O)[O-])c3ccsc3)C2)ccn1 ZINC001591555955 992750161 /nfs/dbraw/zinc/75/01/61/992750161.db2.gz PLPXRKPVRHKKJP-MOPGFXCFSA-N -1 3 389.521 3.262 20 0 GGADHM CN(Cc1ccccc1)C[C@H](O)COc1cc(Br)cc(C(=O)[O-])c1 ZINC001598528724 992750340 /nfs/dbraw/zinc/75/03/40/992750340.db2.gz JYOVZLDDZCYUBA-INIZCTEOSA-N -1 3 394.265 3.019 20 0 GGADHM CC(C)N(C)Cc1cc(O[C@@H]2CCN([C@@H](C(=O)[O-])c3ccsc3)C2)ccn1 ZINC001591555959 992750705 /nfs/dbraw/zinc/75/07/05/992750705.db2.gz PLPXRKPVRHKKJP-RTBURBONSA-N -1 3 389.521 3.262 20 0 GGADHM CN(Cc1ccccc1N1CCOCC1)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001598530268 992769964 /nfs/dbraw/zinc/76/99/64/992769964.db2.gz SAKMMVXIWCQKHD-UHFFFAOYSA-N -1 3 391.471 3.402 20 0 GGADHM CN(Cc1ccnc2c(C(=O)[O-])cccc12)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001598531420 992785743 /nfs/dbraw/zinc/78/57/43/992785743.db2.gz POHGAGLOYGYHKF-OAHLLOKOSA-N -1 3 385.464 3.374 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001591584365 992792756 /nfs/dbraw/zinc/79/27/56/992792756.db2.gz QYHZJWSWOVMWAW-UHFFFAOYSA-N -1 3 386.496 3.293 20 0 GGADHM CC(C)N1CCC[C@H](N[C@@](C)(CC(=O)[O-])c2ccc(Br)cc2)C1=O ZINC001591623751 992900658 /nfs/dbraw/zinc/90/06/58/992900658.db2.gz DMWCVYCPFMJKEV-YJBOKZPZSA-N -1 3 397.313 3.128 20 0 GGADHM CC(C)N1CC[C@@H](NCc2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC001591623748 992901096 /nfs/dbraw/zinc/90/10/96/992901096.db2.gz ZILCDGXRRFLICC-MJGOQNOKSA-N -1 3 375.419 3.372 20 0 GGADHM CC(C)N1CC[C@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1ccc(F)c(F)c1 ZINC001591623752 992901456 /nfs/dbraw/zinc/90/14/56/992901456.db2.gz ZILCDGXRRFLICC-PKOBYXMFSA-N -1 3 375.419 3.372 20 0 GGADHM CN1C(=O)C[C@H](NCc2ccccc2CC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001598547973 992967938 /nfs/dbraw/zinc/96/79/38/992967938.db2.gz HUWAOIXEEVHLFH-FXAWDEMLSA-N -1 3 390.842 3.168 20 0 GGADHM CN1C(=O)C[C@H](NCc2ccsc2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598549009 992980107 /nfs/dbraw/zinc/98/01/07/992980107.db2.gz LEUIGDQIQOXJHZ-ZFWWWQNUSA-N -1 3 382.844 3.300 20 0 GGADHM CN1CCC(N(Cc2ccccc2Br)C(=O)CCCC(=O)[O-])CC1 ZINC001598585724 993379090 /nfs/dbraw/zinc/37/90/90/993379090.db2.gz UVGDEJAEGPPXPF-UHFFFAOYSA-N -1 3 397.313 3.127 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001598587104 993400855 /nfs/dbraw/zinc/40/08/55/993400855.db2.gz SBEBKEWYKOOARF-UYAOXDASSA-N -1 3 383.448 3.107 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001598587730 993409479 /nfs/dbraw/zinc/40/94/79/993409479.db2.gz FMMBVAJJJGEXFI-UHFFFAOYSA-N -1 3 389.839 3.159 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC001598588011 993412863 /nfs/dbraw/zinc/41/28/63/993412863.db2.gz LWSCUQIFNLUVMH-HNNXBMFYSA-N -1 3 395.887 3.188 20 0 GGADHM CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1)[C@@H]1CCCN(C)C1 ZINC001598595946 993505608 /nfs/dbraw/zinc/50/56/08/993505608.db2.gz FJTFSVUVZGJIAP-LJQANCHMSA-N -1 3 399.466 3.302 20 0 GGADHM CN(C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)[C@H]1CCCN(C)C1 ZINC001598596415 993512524 /nfs/dbraw/zinc/51/25/24/993512524.db2.gz MAUXMFWINKVVHV-HNNXBMFYSA-N -1 3 384.436 3.130 20 0 GGADHM CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001598599794 993558767 /nfs/dbraw/zinc/55/87/67/993558767.db2.gz XBVMIGAVOQFDBT-OAHLLOKOSA-N -1 3 390.505 3.033 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2)cc1 ZINC001593062662 993580009 /nfs/dbraw/zinc/58/00/09/993580009.db2.gz LAEBNLKSAIFXSG-AEFFLSMTSA-N -1 3 397.475 3.198 20 0 GGADHM C[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@H](c1ccccc1)N(C)C ZINC001593069899 993614276 /nfs/dbraw/zinc/61/42/76/993614276.db2.gz LLJYXSIWKXIJEU-MGPUTAFESA-N -1 3 381.476 3.144 20 0 GGADHM CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C[C@H](C(=O)[O-])C1 ZINC001598604261 993618565 /nfs/dbraw/zinc/61/85/65/993618565.db2.gz SBBYUHWIGKBTMH-OAHLLOKOSA-N -1 3 378.900 3.017 20 0 GGADHM CN1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C[C@H](C(=O)[O-])C1 ZINC001598604769 993628404 /nfs/dbraw/zinc/62/84/04/993628404.db2.gz WLDWDXYGYZBUKF-QGZVFWFLSA-N -1 3 392.927 3.308 20 0 GGADHM CN1CCN(C(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598606101 993660796 /nfs/dbraw/zinc/66/07/96/993660796.db2.gz TXWIQBWORNVCGW-AJWDXOCTSA-N -1 3 398.890 3.495 20 0 GGADHM CN1CCN(C(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598606103 993660908 /nfs/dbraw/zinc/66/09/08/993660908.db2.gz TXWIQBWORNVCGW-GSXXRBPTSA-N -1 3 398.890 3.495 20 0 GGADHM COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)c(C(=O)[O-])c1 ZINC001599591911 993696124 /nfs/dbraw/zinc/69/61/24/993696124.db2.gz MYHUFWGOHKLHNO-UHFFFAOYSA-N -1 3 385.464 3.298 20 0 GGADHM C[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)[C@@H](c1ccccc1)N(C)C ZINC001593089715 993708441 /nfs/dbraw/zinc/70/84/41/993708441.db2.gz ZXVGREKAMDMSGT-AEFFLSMTSA-N -1 3 375.513 3.402 20 0 GGADHM CN1CCN(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609298 993735297 /nfs/dbraw/zinc/73/52/97/993735297.db2.gz RQHFGHUNNIOTOC-AWEZNQCLSA-N -1 3 389.402 3.112 20 0 GGADHM CN1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609477 993738906 /nfs/dbraw/zinc/73/89/06/993738906.db2.gz DAMYAKQQFVGARD-HNNXBMFYSA-N -1 3 390.524 3.076 20 0 GGADHM CN1CCN([C@@H](CNCc2cc(C(=O)[O-])ccc2Cl)c2cccs2)CC1 ZINC001598610555 993762639 /nfs/dbraw/zinc/76/26/39/993762639.db2.gz CENDRCFOCAKOAS-KRWDZBQOSA-N -1 3 393.940 3.178 20 0 GGADHM CN1CCN(C(=O)c2cc(Cl)ccc2SC2CCCC2)C[C@@H](C(=O)[O-])C1 ZINC001598610558 993762756 /nfs/dbraw/zinc/76/27/56/993762756.db2.gz LHZRPMQLOQFGMG-ZDUSSCGKSA-N -1 3 396.940 3.463 20 0 GGADHM CN1CCN(C(=O)c2cc(Cl)ccc2SC2CCCC2)C[C@H](C(=O)[O-])C1 ZINC001598610553 993763514 /nfs/dbraw/zinc/76/35/14/993763514.db2.gz LHZRPMQLOQFGMG-CYBMUJFWSA-N -1 3 396.940 3.463 20 0 GGADHM CN1CCN([C@H](CNCc2cc(C(=O)[O-])ccc2Cl)c2cccs2)CC1 ZINC001598610560 993763701 /nfs/dbraw/zinc/76/37/01/993763701.db2.gz CENDRCFOCAKOAS-QGZVFWFLSA-N -1 3 393.940 3.178 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H](c1ccccc1)N(C)C ZINC001593108557 993765181 /nfs/dbraw/zinc/76/51/81/993765181.db2.gz FDWINXZFNPGFKH-DIFFPNOSSA-N -1 3 377.391 3.476 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)[C@@H](c1ccccc1)N(C)C ZINC001593114831 993794692 /nfs/dbraw/zinc/79/46/92/993794692.db2.gz CWDLUOXXUCWBJB-SGTLLEGYSA-N -1 3 381.436 3.074 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)[C@H](c1ccccc1)N(C)C ZINC001593114829 993794819 /nfs/dbraw/zinc/79/48/19/993794819.db2.gz CWDLUOXXUCWBJB-KPZWWZAWSA-N -1 3 381.436 3.074 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593130656 993874382 /nfs/dbraw/zinc/87/43/82/993874382.db2.gz GDJWNQAMVIQOCS-CABCVRRESA-N -1 3 391.512 3.258 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593130658 993874415 /nfs/dbraw/zinc/87/44/15/993874415.db2.gz GDJWNQAMVIQOCS-HUUCEWRRSA-N -1 3 391.512 3.258 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593130657 993874459 /nfs/dbraw/zinc/87/44/59/993874459.db2.gz GDJWNQAMVIQOCS-GJZGRUSLSA-N -1 3 391.512 3.258 20 0 GGADHM COc1ccc(Oc2ccc(CN3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)cc2)cc1 ZINC001599609009 993925770 /nfs/dbraw/zinc/92/57/70/993925770.db2.gz VQMRYWAZZVYOPS-MRXNPFEDSA-N -1 3 394.431 3.224 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593197441 994163835 /nfs/dbraw/zinc/16/38/35/994163835.db2.gz KCFWQKUNQMZAFN-FIDNZITISA-N -1 3 380.242 3.259 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593197444 994164116 /nfs/dbraw/zinc/16/41/16/994164116.db2.gz KCFWQKUNQMZAFN-PSJXJDHFSA-N -1 3 380.242 3.259 20 0 GGADHM COc1ccc2c(c1)C[C@@H](CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)O2 ZINC001599627128 994165029 /nfs/dbraw/zinc/16/50/29/994165029.db2.gz SCOUTASPZHERCY-SCLBCKFNSA-N -1 3 381.350 3.174 20 0 GGADHM COc1ccc2c(c1)C[C@@H](CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)O2 ZINC001599627129 994165087 /nfs/dbraw/zinc/16/50/87/994165087.db2.gz SCOUTASPZHERCY-UGSOOPFHSA-N -1 3 381.350 3.174 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001593198458 994172058 /nfs/dbraw/zinc/17/20/58/994172058.db2.gz RISPWEOHVDQUMC-NJNPRVFISA-N -1 3 398.503 3.090 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc2ncsc2c1 ZINC001593199693 994179791 /nfs/dbraw/zinc/17/97/91/994179791.db2.gz YPPUVDNLJDNRKJ-OLZOCXBDSA-N -1 3 383.473 3.350 20 0 GGADHM C[C@@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593217893 994279322 /nfs/dbraw/zinc/27/93/22/994279322.db2.gz DGMVZIMJDXLNFD-LLVKDONJSA-N -1 3 381.448 3.435 20 0 GGADHM C[C@@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001593218289 994282895 /nfs/dbraw/zinc/28/28/95/994282895.db2.gz GUXJUVFKPLFJTC-IJEWVQPXSA-N -1 3 392.500 3.184 20 0 GGADHM C[C@H](N[C@@H]1CC[C@H](C(=O)[O-])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001593221214 994321498 /nfs/dbraw/zinc/32/14/98/994321498.db2.gz YHWZODUFAGORJU-XHVZSJERSA-N -1 3 380.242 3.403 20 0 GGADHM C[C@@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1OCC(=O)[O-] ZINC001593222210 994332586 /nfs/dbraw/zinc/33/25/86/994332586.db2.gz ILDNKAGTQRZXPX-AEFFLSMTSA-N -1 3 382.460 3.105 20 0 GGADHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598643055 994343226 /nfs/dbraw/zinc/34/32/26/994343226.db2.gz WBDFSHWTRZYJST-ZBFHGGJFSA-N -1 3 386.414 3.144 20 0 GGADHM COc1cccc(-c2n[nH]cc2CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001599640154 994346746 /nfs/dbraw/zinc/34/67/46/994346746.db2.gz JUWFHYZPGCJSAF-UHFFFAOYSA-N -1 3 387.386 3.450 20 0 GGADHM C[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1cc2ccccc2s1 ZINC001593240279 994428160 /nfs/dbraw/zinc/42/81/60/994428160.db2.gz MPLUAXXNZDXQES-JTQLQIEISA-N -1 3 375.475 3.274 20 0 GGADHM C[C@@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593246336 994450382 /nfs/dbraw/zinc/45/03/82/994450382.db2.gz KDBGZJYTVFRVQM-CXAGYDPISA-N -1 3 378.856 3.355 20 0 GGADHM C[C@H](NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593250014 994483431 /nfs/dbraw/zinc/48/34/31/994483431.db2.gz ZSBNHVYDEGYPCC-GUYCJALGSA-N -1 3 378.856 3.355 20 0 GGADHM C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593250773 994488099 /nfs/dbraw/zinc/48/80/99/994488099.db2.gz WPAXUFSGXJFHKU-UVIMBBFXSA-N -1 3 378.469 3.405 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC001599652448 994526480 /nfs/dbraw/zinc/52/64/80/994526480.db2.gz LKPNPPABYFHTJN-AOMKIAJQSA-N -1 3 384.476 3.194 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC001599653427 994540515 /nfs/dbraw/zinc/54/05/15/994540515.db2.gz WEEZYUUVIWEEQI-KLHJMIIUSA-N -1 3 376.497 3.012 20 0 GGADHM CNC(=O)c1ccc(CN(Cc2cc(C)c(OCC(=O)[O-])c(C)c2)C2CC2)cc1 ZINC001598658092 994555065 /nfs/dbraw/zinc/55/50/65/994555065.db2.gz UJGSTGZOOKEIGV-UHFFFAOYSA-N -1 3 396.487 3.291 20 0 GGADHM CNC(=O)c1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC001598658083 994555418 /nfs/dbraw/zinc/55/54/18/994555418.db2.gz UIEOHZZVTBOTNB-UHFFFAOYSA-N -1 3 391.265 3.139 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccnc(Br)c2)c1 ZINC001599655631 994575283 /nfs/dbraw/zinc/57/52/83/994575283.db2.gz MJXBWLCPYNQJIX-KRWDZBQOSA-N -1 3 379.254 3.332 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2cc(=O)oc3cc(OC)ccc23)c1 ZINC001599655636 994575322 /nfs/dbraw/zinc/57/53/22/994575322.db2.gz MPLQMEPBIMIYBM-QFIPXVFZSA-N -1 3 397.427 3.290 20 0 GGADHM C[C@H](NCCCNC(=O)c1cccc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593267146 994587250 /nfs/dbraw/zinc/58/72/50/994587250.db2.gz LRJJISQHRROBSC-NSHDSACASA-N -1 3 395.253 3.211 20 0 GGADHM COc1cccc([C@@H](O)CN(Cc2cc(C(=O)[O-])n(C)c2)Cc2ccccc2)c1 ZINC001599661279 994660062 /nfs/dbraw/zinc/66/00/62/994660062.db2.gz YDJKREOVFDHFLY-QFIPXVFZSA-N -1 3 394.471 3.468 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1Br)[C@H](O)c1ccc(F)cc1 ZINC001593295567 994692368 /nfs/dbraw/zinc/69/23/68/994692368.db2.gz GNBUXRLCUGKIJJ-HWPZZCPQSA-N -1 3 382.229 3.498 20 0 GGADHM C[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC001593296204 994695621 /nfs/dbraw/zinc/69/56/21/994695621.db2.gz JWNLYIFKXAIWET-HNNXBMFYSA-N -1 3 379.460 3.183 20 0 GGADHM C[C@@](NCc1ccc(C(=O)OCc2ccccc2)[nH]1)(C(=O)[O-])c1ccccc1 ZINC001593297457 994703231 /nfs/dbraw/zinc/70/32/31/994703231.db2.gz VMXLTFFTECLWFI-QFIPXVFZSA-N -1 3 378.428 3.461 20 0 GGADHM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001593299865 994726414 /nfs/dbraw/zinc/72/64/14/994726414.db2.gz XBCMKOPGTVNBOS-FZMZJTMJSA-N -1 3 383.876 3.311 20 0 GGADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC001593303538 994734907 /nfs/dbraw/zinc/73/49/07/994734907.db2.gz FTUPZBAXBSCJKC-HNNXBMFYSA-N -1 3 386.467 3.265 20 0 GGADHM C[C@](NCc1ccc2[nH]c(=O)[nH]c2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593305388 994762638 /nfs/dbraw/zinc/76/26/38/994762638.db2.gz YUZQPJVDARHUNA-QGZVFWFLSA-N -1 3 390.237 3.121 20 0 GGADHM C[C@@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)N1c2ccccc2C[C@H]1C ZINC001593310743 994773962 /nfs/dbraw/zinc/77/39/62/994773962.db2.gz KCFZZGPXHODVBS-HUUCEWRRSA-N -1 3 389.455 3.389 20 0 GGADHM C[C@@H](NCc1cn(-c2ccc(Cl)cc2)nn1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593311179 994779287 /nfs/dbraw/zinc/77/92/87/994779287.db2.gz ODWJESUJXVSJOC-AUUYWEPGSA-N -1 3 384.867 3.342 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001599670607 994804856 /nfs/dbraw/zinc/80/48/56/994804856.db2.gz AVBPPKBLESCRRO-UHFFFAOYSA-N -1 3 389.427 3.128 20 0 GGADHM CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001598676226 994848047 /nfs/dbraw/zinc/84/80/47/994848047.db2.gz BDHIQCQAEWQFRQ-UONOGXRCSA-N -1 3 376.478 3.013 20 0 GGADHM COc1cccc(CCNCc2ccc(C(=O)[O-])cc2Br)c1OC ZINC001599673376 994854800 /nfs/dbraw/zinc/85/48/00/994854800.db2.gz ISAACHZFFPZFNH-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM C[C@@H](Nc1ccc(N2CCN(C)CC2)c2ccncc12)c1ncc(C(=O)[O-])s1 ZINC001593363131 995035401 /nfs/dbraw/zinc/03/54/01/995035401.db2.gz OIFMNBAJQVOIIW-CYBMUJFWSA-N -1 3 397.504 3.314 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)O[C@H](C)c3cc(C(=O)[O-])co3)cc2)CC1 ZINC001593584345 995697417 /nfs/dbraw/zinc/69/74/17/995697417.db2.gz GSBLJERMOGLKGM-OAHLLOKOSA-N -1 3 386.448 3.426 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)O[C@@H](C)c3cc(C(=O)[O-])co3)cc2)CC1 ZINC001593584344 995697439 /nfs/dbraw/zinc/69/74/39/995697439.db2.gz GSBLJERMOGLKGM-HNNXBMFYSA-N -1 3 386.448 3.426 20 0 GGADHM C[C@H](OCCCNC(=O)CN[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1 ZINC001593608774 995798909 /nfs/dbraw/zinc/79/89/09/995798909.db2.gz RWVISAVLBLACFQ-JTSKRJEESA-N -1 3 390.524 3.284 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615386 995832799 /nfs/dbraw/zinc/83/27/99/995832799.db2.gz JBYRENDJCRBYIB-MPGHIAIKSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C)(C(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC001593616040 995843170 /nfs/dbraw/zinc/84/31/70/995843170.db2.gz PGLGJCSQNOYTIS-OAHLLOKOSA-N -1 3 377.481 3.482 20 0 GGADHM C[C@@H](Oc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1)C(=O)[O-] ZINC001593618494 995859092 /nfs/dbraw/zinc/85/90/92/995859092.db2.gz YNQMVZOTRDHZTC-UTKZUKDTSA-N -1 3 399.487 3.159 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644279 995959629 /nfs/dbraw/zinc/95/96/29/995959629.db2.gz GXWAIZJBYSVBMN-AOMKIAJQSA-N -1 3 387.451 3.105 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644282 995959903 /nfs/dbraw/zinc/95/99/03/995959903.db2.gz GXWAIZJBYSVBMN-ZHRRBRCNSA-N -1 3 387.451 3.105 20 0 GGADHM C[C@H](Oc1ccccc1CNC[C@H](O)c1ccccc1Br)C(=O)[O-] ZINC001593644604 995963693 /nfs/dbraw/zinc/96/36/93/995963693.db2.gz AMNUQBBXDZYDCP-LRDDRELGSA-N -1 3 394.265 3.124 20 0 GGADHM C[C@@H](Oc1ccccc1CNCC12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001593644627 995964406 /nfs/dbraw/zinc/96/44/06/995964406.db2.gz AXBPXXHAUPEHKZ-UMRPUCSYSA-N -1 3 390.480 3.028 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645471 995974677 /nfs/dbraw/zinc/97/46/77/995974677.db2.gz KEYAYONUOYDSTI-YQQAZPJKSA-N -1 3 392.496 3.416 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(OC[C@@H]2CCCCO2)CC1)C(=O)[O-] ZINC001593646280 995981809 /nfs/dbraw/zinc/98/18/09/995981809.db2.gz WHQISLFBIARKKN-LPHOPBHVSA-N -1 3 377.481 3.089 20 0 GGADHM CC(C)[C@@H](CNCc1ccccc1O[C@@H](C)C(=O)[O-])NC(=O)OC(C)(C)C ZINC001593646437 995985781 /nfs/dbraw/zinc/98/57/81/995985781.db2.gz RMHLSBKZIOISPK-GOEBONIOSA-N -1 3 380.485 3.177 20 0 GGADHM C[C@@H](CNCc1ccccc1O[C@@H](C)C(=O)[O-])c1nc(-c2ccccc2)no1 ZINC001593646706 995988288 /nfs/dbraw/zinc/98/82/88/995988288.db2.gz VCCMAJVQSAWVBE-GJZGRUSLSA-N -1 3 381.432 3.482 20 0 GGADHM CC(C)[C@H](CNCc1ccccc1O[C@@H](C)C(=O)[O-])ONC(=O)OC(C)(C)C ZINC001593646985 995991108 /nfs/dbraw/zinc/99/11/08/995991108.db2.gz YHNQTBGVDFGVOR-YOEHRIQHSA-N -1 3 396.484 3.109 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@H](O)c1cccc(Br)c1)C(=O)[O-] ZINC001593649292 996001964 /nfs/dbraw/zinc/00/19/64/996001964.db2.gz RBZODKCLIXEUJA-WBMJQRKESA-N -1 3 394.265 3.124 20 0 GGADHM C[C@@H](Oc1ccccc1CNCCOc1cccc(Br)c1)C(=O)[O-] ZINC001593649423 996002589 /nfs/dbraw/zinc/00/25/89/996002589.db2.gz UUHITTWWQAJURD-CYBMUJFWSA-N -1 3 394.265 3.470 20 0 GGADHM C[C@H](SCCN(C)Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593661535 996038168 /nfs/dbraw/zinc/03/81/68/996038168.db2.gz FNTKNXMKRMAOBC-INIZCTEOSA-N -1 3 386.517 3.255 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593693109 996142297 /nfs/dbraw/zinc/14/22/97/996142297.db2.gz JJJGTQXYKTYVGQ-RNODOKPDSA-N -1 3 382.451 3.497 20 0 GGADHM C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C(=O)[O-])cc1Br ZINC001593704725 996184927 /nfs/dbraw/zinc/18/49/27/996184927.db2.gz ALKGVTFUMPBSMM-SJCJKPOMSA-N -1 3 378.266 3.402 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711066 996211288 /nfs/dbraw/zinc/21/12/88/996211288.db2.gz PLVUIYFTUBEVTC-MAUKXSAKSA-N -1 3 383.448 3.107 20 0 GGADHM C[C@@H](c1nc(-c2cccs2)no1)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001593725648 996280705 /nfs/dbraw/zinc/28/07/05/996280705.db2.gz ZKEYHIFDQZRFQZ-TUKIKUTGSA-N -1 3 385.445 3.365 20 0 GGADHM C[C@]1(C(=O)[O-])CCCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001593769891 996457511 /nfs/dbraw/zinc/45/75/11/996457511.db2.gz UXTKUWQMXHIPOO-QHCPKHFHSA-N -1 3 395.503 3.262 20 0 GGADHM CC1(C)C(=O)N[C@@H]1C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001593822835 996562862 /nfs/dbraw/zinc/56/28/62/996562862.db2.gz PRFYVYRZRWYGPA-LSDHHAIUSA-N -1 3 384.398 3.068 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2ccccc2C(=O)[O-])C[C@@H]1OCc1ccccc1 ZINC001593834294 996584584 /nfs/dbraw/zinc/58/45/84/996584584.db2.gz CHGWVANMTFRZLT-MOPGFXCFSA-N -1 3 382.460 3.297 20 0 GGADHM CC1(C)[C@@H](NCC(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H]1OCc1ccccc1 ZINC001593835998 996590553 /nfs/dbraw/zinc/59/05/53/996590553.db2.gz SINKZQNBWCEJAX-OALUTQOASA-N -1 3 382.460 3.297 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2cccc(C(=O)[O-])c2)C[C@H]1OCc1ccccc1 ZINC001593836001 996590758 /nfs/dbraw/zinc/59/07/58/996590758.db2.gz SINKZQNBWCEJAX-RTBURBONSA-N -1 3 382.460 3.297 20 0 GGADHM COC(=O)COc1ccc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001598866973 996712910 /nfs/dbraw/zinc/71/29/10/996712910.db2.gz WAHDJLVYRPGPBV-UHFFFAOYSA-N -1 3 398.459 3.013 20 0 GGADHM COC(=O)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598873894 996751867 /nfs/dbraw/zinc/75/18/67/996751867.db2.gz SZGULMLARHCDKQ-QGZVFWFLSA-N -1 3 381.350 3.336 20 0 GGADHM COC(=O)N1CCC[C@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001598878981 996787907 /nfs/dbraw/zinc/78/79/07/996787907.db2.gz FHWNXJIXZPZCHD-IBGZPJMESA-N -1 3 398.459 3.284 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CC=C(c2ccc(C)cc2)CC1 ZINC001599380263 996825930 /nfs/dbraw/zinc/82/59/30/996825930.db2.gz HASJAYSGJGYDKS-FQEVSTJZSA-N -1 3 397.471 3.231 20 0 GGADHM COc1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1OCCO ZINC001599390068 997017771 /nfs/dbraw/zinc/01/77/71/997017771.db2.gz WNQZADUDGFWFBQ-KPZWWZAWSA-N -1 3 379.840 3.196 20 0 GGADHM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1ccc(NC3=NCCC3)cc1)CC2 ZINC001599497961 997053055 /nfs/dbraw/zinc/05/30/55/997053055.db2.gz NFNUFLXQTPAEAH-UHFFFAOYSA-N -1 3 393.443 3.196 20 0 GGADHM CO[C@@]1(C)C[C@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1(C)C ZINC001599085579 997090813 /nfs/dbraw/zinc/09/08/13/997090813.db2.gz OCXUIPWGOSXFCX-SJCJKPOMSA-N -1 3 389.279 3.423 20 0 GGADHM CO[C@@]1(C)C[C@@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1(C)C ZINC001599085576 997091127 /nfs/dbraw/zinc/09/11/27/997091127.db2.gz OCXUIPWGOSXFCX-PXAZEXFGSA-N -1 3 389.279 3.423 20 0 GGADHM COc1cc(C)ccc1Oc1ccccc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599394796 997105097 /nfs/dbraw/zinc/10/50/97/997105097.db2.gz ASBDERHXHBZONG-OAQYLSRUSA-N -1 3 385.460 3.453 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCN(c2ccnc3ccccc32)CC1 ZINC001599500644 997113369 /nfs/dbraw/zinc/11/33/69/997113369.db2.gz WHXKKFJOSZASPX-UHFFFAOYSA-N -1 3 377.444 3.264 20 0 GGADHM COC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H]1c1ccccc1 ZINC001598897738 997114077 /nfs/dbraw/zinc/11/40/77/997114077.db2.gz ISCWMHBNGFOCGH-LBTNJELSSA-N -1 3 391.826 3.493 20 0 GGADHM COc1ccc(C(=O)[O-])c2c1CN(CCC1CN(C(=O)OC(C)(C)C)C1)CC2 ZINC001599500965 997119007 /nfs/dbraw/zinc/11/90/07/997119007.db2.gz GAQOOIWNRKDNIN-UHFFFAOYSA-N -1 3 390.480 3.009 20 0 GGADHM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001599395862 997124388 /nfs/dbraw/zinc/12/43/88/997124388.db2.gz BVQOBDGWLQGWJX-IQBZNYMQSA-N -1 3 381.428 3.221 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001599501372 997127815 /nfs/dbraw/zinc/12/78/15/997127815.db2.gz UEDMTYDCSIWGMN-HXUWFJFHSA-N -1 3 378.469 3.176 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001599501799 997136353 /nfs/dbraw/zinc/13/63/53/997136353.db2.gz XAIQSWYBTFTHGJ-HZPDHXFCSA-N -1 3 378.469 3.319 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC001599501795 997136696 /nfs/dbraw/zinc/13/66/96/997136696.db2.gz WXNVGBMDDRRNFG-INIZCTEOSA-N -1 3 380.485 3.422 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccccc3O[C@H](C)C(=O)[O-])[C@H]2C(C)C)C1 ZINC001599095388 997270660 /nfs/dbraw/zinc/27/06/60/997270660.db2.gz QDNRNEHYLPOVBR-QAPCUYQASA-N -1 3 377.481 3.148 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccccc3O[C@@H](C)C(=O)[O-])[C@H]2C(C)C)C1 ZINC001599095390 997270987 /nfs/dbraw/zinc/27/09/87/997270987.db2.gz QDNRNEHYLPOVBR-YJBOKZPZSA-N -1 3 377.481 3.148 20 0 GGADHM C[C@]1([C@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)COC(=O)N1 ZINC001593992682 997274863 /nfs/dbraw/zinc/27/48/63/997274863.db2.gz NAPORLUBFGUKHH-RMLVOYDJSA-N -1 3 387.263 3.330 20 0 GGADHM C[C@@]1([C@H]2CCCN(Cc3ccc(C(=O)[O-])cc3C(F)(F)F)C2)COC(=O)N1 ZINC001593992915 997277500 /nfs/dbraw/zinc/27/75/00/997277500.db2.gz QEFVKOIQGBDSFG-GUYCJALGSA-N -1 3 386.370 3.114 20 0 GGADHM COCc1nc(NC(=O)c2oc3ccccc3c2CN(C)C)sc1C(=O)[O-] ZINC001599304269 997286442 /nfs/dbraw/zinc/28/64/42/997286442.db2.gz ZRAALIGMINGXNG-UHFFFAOYSA-N -1 3 389.433 3.048 20 0 GGADHM COc1ccc([C@H](C)NCC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)cc1 ZINC001599511515 997306354 /nfs/dbraw/zinc/30/63/54/997306354.db2.gz VDQBBFKQGHEZEN-VBKZILBWSA-N -1 3 395.459 3.081 20 0 GGADHM COc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406563 997314872 /nfs/dbraw/zinc/31/48/72/997314872.db2.gz FZUNJOYDYCAQLQ-VLIAUNLRSA-N -1 3 389.448 3.422 20 0 GGADHM COc1cc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)c(Br)cn1 ZINC001599406618 997317873 /nfs/dbraw/zinc/31/78/73/997317873.db2.gz HXNXAFHVEKJWJK-GOSISDBHSA-N -1 3 391.265 3.081 20 0 GGADHM COc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407174 997332897 /nfs/dbraw/zinc/33/28/97/997332897.db2.gz OTYOQFUTAZKOLB-KBPBESRZSA-N -1 3 389.448 3.014 20 0 GGADHM COc1cc(CN2CC[C@H]([C@H]3CCOC3)C2)c(Br)cc1C(=O)[O-] ZINC001599407143 997333400 /nfs/dbraw/zinc/33/34/00/997333400.db2.gz OERLCWQHRJQUAR-RYUDHWBXSA-N -1 3 384.270 3.014 20 0 GGADHM COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407828 997360509 /nfs/dbraw/zinc/36/05/09/997360509.db2.gz QZKRLMOLDJRONM-GOEBONIOSA-N -1 3 389.448 3.158 20 0 GGADHM COc1cc(CN2CCC[C@H]([C@H](C)O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407829 997360939 /nfs/dbraw/zinc/36/09/39/997360939.db2.gz QZKRLMOLDJRONM-HOCLYGCPSA-N -1 3 389.448 3.158 20 0 GGADHM COc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(Br)cc1C(=O)[O-] ZINC001599407985 997363919 /nfs/dbraw/zinc/36/39/19/997363919.db2.gz YQLFELIOSCWMLO-DAXOMENPSA-N -1 3 398.297 3.281 20 0 GGADHM COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1OC(=O)C1CC1 ZINC001599408711 997381415 /nfs/dbraw/zinc/38/14/15/997381415.db2.gz MTVGPDHBCROZKN-GOSISDBHSA-N -1 3 381.428 3.022 20 0 GGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001599516195 997391351 /nfs/dbraw/zinc/39/13/51/997391351.db2.gz LRFGZOJFHXMAAC-LJQANCHMSA-N -1 3 386.423 3.099 20 0 GGADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599516390 997394847 /nfs/dbraw/zinc/39/48/47/997394847.db2.gz MYDFBUULTMSXGK-IBGZPJMESA-N -1 3 386.423 3.099 20 0 GGADHM COc1ccc([C@H](CN[C@@H](C)c2ncc(C(=O)[O-])s2)N2CCCC2)cc1 ZINC001599516832 997404431 /nfs/dbraw/zinc/40/44/31/997404431.db2.gz QPQPNJHWDWUABE-BBRMVZONSA-N -1 3 375.494 3.338 20 0 GGADHM COc1ccc([C@@H](CN[C@@H](C)c2ncc(C(=O)[O-])s2)N2CCCC2)cc1 ZINC001599517050 997407917 /nfs/dbraw/zinc/40/79/17/997407917.db2.gz QPQPNJHWDWUABE-XJKSGUPXSA-N -1 3 375.494 3.338 20 0 GGADHM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(CC(C)C)CC(C)(C)C ZINC001598914510 997434133 /nfs/dbraw/zinc/43/41/33/997434133.db2.gz UMXFMPSBXKXXSY-UHFFFAOYSA-N -1 3 398.525 3.484 20 0 GGADHM COc1cc(CN[C@H]2C[C@H](OC)C23CCC3)c(Br)cc1C(=O)[O-] ZINC001599415945 997509035 /nfs/dbraw/zinc/50/90/35/997509035.db2.gz VCLIIXMLJRCERI-GJZGRUSLSA-N -1 3 384.270 3.203 20 0 GGADHM COc1cc(CN[C@@H](C2CC2)C(C)(C)CO)c(Br)cc1C(=O)[O-] ZINC001599416188 997515688 /nfs/dbraw/zinc/51/56/88/997515688.db2.gz NPHJZLFYTNVFQU-HNNXBMFYSA-N -1 3 386.286 3.043 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cc(Br)c1OC ZINC001599416201 997515947 /nfs/dbraw/zinc/51/59/47/997515947.db2.gz NUGOOANMYNZZSZ-ZDUSSCGKSA-N -1 3 386.267 3.443 20 0 GGADHM COc1ccc([C@@H](N[C@@H](C)CC(=O)Nc2cccc(C)c2)C(=O)[O-])c(OC)c1 ZINC001599526821 997573449 /nfs/dbraw/zinc/57/34/49/997573449.db2.gz FCCAWBKLWDJWGK-VBKZILBWSA-N -1 3 386.448 3.145 20 0 GGADHM COc1ccc([C@H](N[C@H](C)CC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1O ZINC001599527524 997587304 /nfs/dbraw/zinc/58/73/04/997587304.db2.gz IDRZNELKEMEFCX-ZMZPIMSZSA-N -1 3 392.839 3.187 20 0 GGADHM COc1ccc([C@H](NC[C@@H](O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1O ZINC001599527759 997592845 /nfs/dbraw/zinc/59/28/45/997592845.db2.gz QGMQBYNZSMMCJU-ZBFHGGJFSA-N -1 3 386.231 3.157 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC001599527883 997594798 /nfs/dbraw/zinc/59/47/98/997594798.db2.gz LKDBKQPWKCMTCJ-GOSISDBHSA-N -1 3 378.513 3.330 20 0 GGADHM CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001599322175 997600314 /nfs/dbraw/zinc/60/03/14/997600314.db2.gz KVAFOKSHFAHZDY-MRVWCRGKSA-N -1 3 380.510 3.057 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001599528757 997610704 /nfs/dbraw/zinc/61/07/04/997610704.db2.gz RMGOGKFZAGDCJS-MOPGFXCFSA-N -1 3 376.497 3.132 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599529024 997615849 /nfs/dbraw/zinc/61/58/49/997615849.db2.gz UIACXPKVTRKSBR-UXHICEINSA-N -1 3 384.476 3.027 20 0 GGADHM COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599529028 997616047 /nfs/dbraw/zinc/61/60/47/997616047.db2.gz UIACXPKVTRKSBR-WOJBJXKFSA-N -1 3 384.476 3.027 20 0 GGADHM COc1ccc([C@H](NCc2ccc(Br)cc2C)C(=O)[O-])cc1O ZINC001599530379 997639325 /nfs/dbraw/zinc/63/93/25/997639325.db2.gz CLDWYOCVDGWYHT-INIZCTEOSA-N -1 3 380.238 3.387 20 0 GGADHM COc1ccc([C@H](NCc2ccc(-n3cncn3)c(C)c2)C(=O)[O-])cc1Cl ZINC001599531325 997658651 /nfs/dbraw/zinc/65/86/51/997658651.db2.gz JZJFOCZGPHBFIN-SFHVURJKSA-N -1 3 386.839 3.153 20 0 GGADHM COc1ccc([C@H](NCc2ccc3c(c2)CCC(=O)N3C)C(=O)[O-])cc1Cl ZINC001599532751 997687266 /nfs/dbraw/zinc/68/72/66/997687266.db2.gz VRFMQBYDWFTPAY-IBGZPJMESA-N -1 3 388.851 3.173 20 0 GGADHM COC(=O)c1cc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)[nH]c1C ZINC001598929953 997729084 /nfs/dbraw/zinc/72/90/84/997729084.db2.gz HTESPYACAPVFOI-UHFFFAOYSA-N -1 3 385.445 3.221 20 0 GGADHM COC(=O)c1cc(CN[C@H](C)c2ccc(OC)c(OC)c2C)cc(C(=O)[O-])c1 ZINC001598931489 997766630 /nfs/dbraw/zinc/76/66/30/997766630.db2.gz CEENHNCGMCGNRI-CYBMUJFWSA-N -1 3 387.432 3.348 20 0 GGADHM C[C@@]1(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCN(Cc2ccccc2)C1 ZINC001594053208 997767978 /nfs/dbraw/zinc/76/79/78/997767978.db2.gz QMZARAQYPZNYII-HXUWFJFHSA-N -1 3 389.402 3.449 20 0 GGADHM C[C@]1(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCN(Cc2ccccc2)C1 ZINC001594053204 997768008 /nfs/dbraw/zinc/76/80/08/997768008.db2.gz QMZARAQYPZNYII-FQEVSTJZSA-N -1 3 389.402 3.449 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cc(C(=O)[O-])c1 ZINC001598931842 997773191 /nfs/dbraw/zinc/77/31/91/997773191.db2.gz BBKIOGIMXHVUOY-OAHLLOKOSA-N -1 3 385.464 3.398 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c(C)s1 ZINC001598931827 997773831 /nfs/dbraw/zinc/77/38/31/997773831.db2.gz APUMTQQCGQBKDT-NSHDSACASA-N -1 3 380.491 3.377 20 0 GGADHM COC(=O)c1cc(CN2CCN(Cc3ccccc3)C(C)(C)C2)cc(C(=O)[O-])c1 ZINC001598931952 997778050 /nfs/dbraw/zinc/77/80/50/997778050.db2.gz DLTSSIBTIXYTHY-UHFFFAOYSA-N -1 3 396.487 3.268 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932208 997783146 /nfs/dbraw/zinc/78/31/46/997783146.db2.gz GNMGWBNIXFYALS-IAGOWNOFSA-N -1 3 389.473 3.321 20 0 GGADHM COC(=O)c1cc(CN2CCCN(c3ccc(C)cc3)CC2)cc(C(=O)[O-])c1 ZINC001598932894 997801535 /nfs/dbraw/zinc/80/15/35/997801535.db2.gz QPBUYHNLJXZAIH-UHFFFAOYSA-N -1 3 382.460 3.192 20 0 GGADHM COc1ccc([C@@H]2CN(Cc3coc(-c4ccc(C(=O)[O-])cc4)n3)CCN2)cc1 ZINC001599540573 997834074 /nfs/dbraw/zinc/83/40/74/997834074.db2.gz XFORGSCEMCLORM-FQEVSTJZSA-N -1 3 393.443 3.195 20 0 GGADHM COc1c(NC(=O)N(CCN(C)C)Cc2ccsc2)cccc1C(=O)[O-] ZINC001599338278 997876456 /nfs/dbraw/zinc/87/64/56/997876456.db2.gz JMSDWQQNJLFWLG-UHFFFAOYSA-N -1 3 377.466 3.051 20 0 GGADHM COc1c(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1C(=O)[O-] ZINC001599340701 997917166 /nfs/dbraw/zinc/91/71/66/997917166.db2.gz MMKYZEPJYUZCKW-YOEHRIQHSA-N -1 3 383.448 3.178 20 0 GGADHM COc1c(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341173 997924417 /nfs/dbraw/zinc/92/44/17/997924417.db2.gz PYIDWRWIUYJPON-GOEBONIOSA-N -1 3 383.448 3.178 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598938949 997926293 /nfs/dbraw/zinc/92/62/93/997926293.db2.gz HHWCAJIWPGVVPN-IBGZPJMESA-N -1 3 396.443 3.241 20 0 GGADHM COc1cc(Br)ccc1CCCNCc1ncc(C(=O)[O-])s1 ZINC001599347211 998028393 /nfs/dbraw/zinc/02/83/93/998028393.db2.gz FLDOCXLJZWVPRN-UHFFFAOYSA-N -1 3 385.283 3.335 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001599558850 998148693 /nfs/dbraw/zinc/14/86/93/998148693.db2.gz MIILLMZCLYKBAA-UHFFFAOYSA-N -1 3 381.432 3.048 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567785 998315260 /nfs/dbraw/zinc/31/52/60/998315260.db2.gz MWDCLQHGYLVXGS-YJBOKZPZSA-N -1 3 397.475 3.028 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567781 998315555 /nfs/dbraw/zinc/31/55/55/998315555.db2.gz MWDCLQHGYLVXGS-MAUKXSAKSA-N -1 3 397.475 3.028 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCCC(C)(C)CC2)c1 ZINC001598960520 998319336 /nfs/dbraw/zinc/31/93/36/998319336.db2.gz GRZFBBBSZKKMPP-CYBMUJFWSA-N -1 3 376.453 3.011 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCCC(C)(C)CC2)c1 ZINC001598960521 998320325 /nfs/dbraw/zinc/32/03/25/998320325.db2.gz GRZFBBBSZKKMPP-ZDUSSCGKSA-N -1 3 376.453 3.011 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC[C@@H](C(C)(C)C)C2)c1 ZINC001598960679 998323728 /nfs/dbraw/zinc/32/37/28/998323728.db2.gz KPWBCSRCKXCVBV-DZGCQCFKSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC[C@H](C(C)C)CC2)c1 ZINC001598960871 998327543 /nfs/dbraw/zinc/32/75/43/998327543.db2.gz MZWXJFWZKBKARS-GJZGRUSLSA-N -1 3 390.480 3.257 20 0 GGADHM COc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1Br ZINC001599571066 998366309 /nfs/dbraw/zinc/36/63/09/998366309.db2.gz JHLSJQRCJLAIQG-KRWDZBQOSA-N -1 3 379.254 3.332 20 0 GGADHM COc1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)cc1OCc1cccnc1 ZINC001599572833 998393020 /nfs/dbraw/zinc/39/30/20/998393020.db2.gz JQSQPTGPFXICBS-UHFFFAOYSA-N -1 3 395.459 3.304 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001599369933 998393857 /nfs/dbraw/zinc/39/38/57/998393857.db2.gz BXVIIEHCVJPIIK-MRXNPFEDSA-N -1 3 397.475 3.379 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)C)C1 ZINC001598965036 998401096 /nfs/dbraw/zinc/40/10/96/998401096.db2.gz GSCLBGOEGLSPRX-HIFRSBDPSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)s1 ZINC001598965124 998401876 /nfs/dbraw/zinc/40/18/76/998401876.db2.gz IJYMDWWBHRCCEU-NEPJUHHUSA-N -1 3 390.461 3.219 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001599372869 998439651 /nfs/dbraw/zinc/43/96/51/998439651.db2.gz RLFCJVSSOCXKRW-YOEHRIQHSA-N -1 3 383.448 3.178 20 0 GGADHM COc1ccc(Cl)cc1[C@@H](O)CNCc1ccccc1O[C@H](C)C(=O)[O-] ZINC001599578879 998492205 /nfs/dbraw/zinc/49/22/05/998492205.db2.gz GPWQPAOQGJOWOY-WBMJQRKESA-N -1 3 379.840 3.024 20 0 GGADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCc2cccnc2)c1 ZINC001599475360 998520995 /nfs/dbraw/zinc/52/09/95/998520995.db2.gz WPBVBLOSLFRRKQ-INIZCTEOSA-N -1 3 379.254 3.153 20 0 GGADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCC[C@@H]2CCOC2)c1 ZINC001599475391 998522331 /nfs/dbraw/zinc/52/23/31/998522331.db2.gz XSDJAJGYEBXVME-MLGOLLRUSA-N -1 3 386.286 3.332 20 0 GGADHM COC(=O)c1ccc(Cl)c(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1 ZINC001598975194 998590504 /nfs/dbraw/zinc/59/05/04/998590504.db2.gz BHWSEAJOIZQWOG-DLBZAZTESA-N -1 3 389.835 3.132 20 0 GGADHM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001594186547 998721500 /nfs/dbraw/zinc/72/15/00/998721500.db2.gz XBLCVZXYCQJDMT-GJYPPUQNSA-N -1 3 382.508 3.288 20 0 GGADHM C[C@H]1[C@@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)CCN1Cc1ccccc1 ZINC001594189952 998736607 /nfs/dbraw/zinc/73/66/07/998736607.db2.gz DFQRHSDWBRXSEJ-HKUYNNGSSA-N -1 3 387.524 3.374 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001594189974 998737269 /nfs/dbraw/zinc/73/72/69/998737269.db2.gz DOXHVANVKBQDBR-IERDGZPVSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1[C@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001594189972 998737386 /nfs/dbraw/zinc/73/73/86/998737386.db2.gz DOXHVANVKBQDBR-HRAATJIYSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCN1Cc1ccccc1 ZINC001594190553 998740085 /nfs/dbraw/zinc/74/00/85/998740085.db2.gz JDRMGVTUZYUGTC-QRWLVFNGSA-N -1 3 379.460 3.073 20 0 GGADHM COC(=O)c1cccc([C@H](N[C@@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC001598993050 998754458 /nfs/dbraw/zinc/75/44/58/998754458.db2.gz BKKNPYNFLOMDDX-DJJJIMSYSA-N -1 3 387.432 3.275 20 0 GGADHM COC(=O)c1cccc([C@@H](N[C@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC001598993049 998754637 /nfs/dbraw/zinc/75/46/37/998754637.db2.gz BKKNPYNFLOMDDX-BFUOFWGJSA-N -1 3 387.432 3.275 20 0 GGADHM COC(=O)c1cccc([C@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC001598993281 998756107 /nfs/dbraw/zinc/75/61/07/998756107.db2.gz CXLBFPAATPDIBD-VLIAUNLRSA-N -1 3 396.443 3.077 20 0 GGADHM COC(=O)c1cccc([C@H](NCc2cc(Br)ccc2C)C(=O)[O-])c1 ZINC001598993558 998758368 /nfs/dbraw/zinc/75/83/68/998758368.db2.gz BUJNROUDWRLNRR-INIZCTEOSA-N -1 3 392.249 3.460 20 0 GGADHM COC(=O)c1cccc([C@H](NCc2ccc(F)cc2CSC)C(=O)[O-])c1 ZINC001598994505 998766637 /nfs/dbraw/zinc/76/66/37/998766637.db2.gz GFPCJUDPJSDUNL-KRWDZBQOSA-N -1 3 377.437 3.391 20 0 GGADHM COC(=O)c1cccc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1Cl ZINC001598995153 998772646 /nfs/dbraw/zinc/77/26/46/998772646.db2.gz FJVLPQGUUZRPBY-DLBZAZTESA-N -1 3 389.835 3.132 20 0 GGADHM COC(=O)c1cccc([C@@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])c1 ZINC001598996815 998787418 /nfs/dbraw/zinc/78/74/18/998787418.db2.gz VJVXVIMDGZJZLG-HXUWFJFHSA-N -1 3 376.412 3.451 20 0 GGADHM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC001598997512 998793491 /nfs/dbraw/zinc/79/34/91/998793491.db2.gz SXVYRBBVKKIUDV-LJQANCHMSA-N -1 3 387.407 3.281 20 0 GGADHM COC(=O)c1cnc([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008711 998878543 /nfs/dbraw/zinc/87/85/43/998878543.db2.gz CATNBTMNQLOPFM-IUODEOHRSA-N -1 3 378.425 3.074 20 0 GGADHM COC(=O)c1cnc(CCNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)s1 ZINC001599010074 998890317 /nfs/dbraw/zinc/89/03/17/998890317.db2.gz WTKLZELBFMYFKX-UHFFFAOYSA-N -1 3 386.429 3.220 20 0 GGADHM COC(=O)c1csc(-c2cccc(CNCc3cc(C(=O)[O-])c(C)[nH]3)c2)n1 ZINC001599012240 998908350 /nfs/dbraw/zinc/90/83/50/998908350.db2.gz ANVRTKFOLZOKAV-UHFFFAOYSA-N -1 3 385.445 3.221 20 0 GGADHM COC(=O)c1oc([C@@H](C)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599017540 998951904 /nfs/dbraw/zinc/95/19/04/998951904.db2.gz KLELHCWEWXDQIM-NEPJUHHUSA-N -1 3 378.450 3.470 20 0 GGADHM COC(=O)c1sc(NC(=O)CN(C)C2CCC(C)(C)CC2)c(C(=O)[O-])c1C ZINC001599020237 998972792 /nfs/dbraw/zinc/97/27/92/998972792.db2.gz DXUYGSLZPAETPV-UHFFFAOYSA-N -1 3 396.509 3.380 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CN1Cc1ccccc1 ZINC001594257476 998990980 /nfs/dbraw/zinc/99/09/80/998990980.db2.gz GWBHACYNCBCAGR-OXQOHEQNSA-N -1 3 381.476 3.488 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CN1Cc1ccccc1 ZINC001594257475 998991056 /nfs/dbraw/zinc/99/10/56/998991056.db2.gz GWBHACYNCBCAGR-OXJNMPFZSA-N -1 3 381.476 3.488 20 0 GGADHM CO[C@@](C)([C@@H](C)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CC1 ZINC001599035823 999082848 /nfs/dbraw/zinc/08/28/48/999082848.db2.gz REYNHQACXPJIMB-XLFHBGCDSA-N -1 3 389.279 3.423 20 0 GGADHM CC1CCC(N2CCN(C(=O)Nc3cc(C(=O)[O-])cnc3Cl)CC2)CC1 ZINC001594318492 999226429 /nfs/dbraw/zinc/22/64/29/999226429.db2.gz GYUZWFDRDYFDEX-UHFFFAOYSA-N -1 3 380.876 3.161 20 0 GGADHM C[C@H]1CC[C@](NCc2cc(=O)n3cc(Cl)ccc3n2)(C(=O)[O-])c2ccccc21 ZINC001594320711 999231805 /nfs/dbraw/zinc/23/18/05/999231805.db2.gz MVHNUFXKVLQTBQ-YEJXKQKISA-N -1 3 397.862 3.315 20 0 GGADHM C[C@H]1CC[C@@](NCc2cc(=O)n3cc(Cl)ccc3n2)(C(=O)[O-])c2ccccc21 ZINC001594320714 999231852 /nfs/dbraw/zinc/23/18/52/999231852.db2.gz MVHNUFXKVLQTBQ-ZSEKCTLFSA-N -1 3 397.862 3.315 20 0 GGADHM C[C@@H]1CC[C@](NCCS(=O)(=O)C2CCCCC2)(C(=O)[O-])c2ccccc21 ZINC001594321519 999236255 /nfs/dbraw/zinc/23/62/55/999236255.db2.gz SVGRELRUOQHGFR-FOIQADDNSA-N -1 3 379.522 3.201 20 0 GGADHM C[C@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001594384481 999456608 /nfs/dbraw/zinc/45/66/08/999456608.db2.gz QGZXTCIIWCXUMD-YJBOKZPZSA-N -1 3 392.496 3.389 20 0 GGADHM C[C@@H]1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)CCN1Cc1ccccc1 ZINC001594402224 999506342 /nfs/dbraw/zinc/50/63/42/999506342.db2.gz SSCHSUXAESJPHS-GOSISDBHSA-N -1 3 387.524 3.328 20 0 GGADHM C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C[C@H]1CC(=O)[O-] ZINC001594412651 999542483 /nfs/dbraw/zinc/54/24/83/999542483.db2.gz QMMWHURYXOXRNZ-BRWVUGGUSA-N -1 3 393.553 3.273 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@@H]3CCOC34CCCC4)c2C(=O)[O-])C1 ZINC001594444528 999634021 /nfs/dbraw/zinc/63/40/21/999634021.db2.gz SRQQHBRJZXUESM-IUODEOHRSA-N -1 3 392.521 3.201 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CN[C@@H]3CCOC34CCCC4)c2C(=O)[O-])C1 ZINC001594444529 999634054 /nfs/dbraw/zinc/63/40/54/999634054.db2.gz SRQQHBRJZXUESM-SWLSCSKDSA-N -1 3 392.521 3.201 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cnc(-c2ccccc2F)s1)C(=O)[O-] ZINC000417565213 1126080381 /nfs/dbraw/zinc/08/03/81/1126080381.db2.gz GVUFXCPHBCDWFF-CQSZACIVSA-N -1 3 380.441 3.224 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(C2CCCC2)s1 ZINC000417571564 1126080452 /nfs/dbraw/zinc/08/04/52/1126080452.db2.gz FOAQPKSFRLRTOH-LBPRGKRZSA-N -1 3 388.415 3.259 20 0 GGADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1cccc(Cl)c1Cl ZINC000426731524 1126084138 /nfs/dbraw/zinc/08/41/38/1126084138.db2.gz FKEYZPSBOJQKID-INIZCTEOSA-N -1 3 391.258 3.360 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)NCc1coc(-c2ccccc2)n1 ZINC000426736939 1126084887 /nfs/dbraw/zinc/08/48/87/1126084887.db2.gz ZLOVNFOGSOYSNW-SFHVURJKSA-N -1 3 394.427 3.288 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1coc(-c2ccccc2)n1 ZINC000426736938 1126085002 /nfs/dbraw/zinc/08/50/02/1126085002.db2.gz ZLOVNFOGSOYSNW-GOSISDBHSA-N -1 3 394.427 3.288 20 0 GGADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1c(Cl)oc2ccccc21 ZINC000426756445 1126087888 /nfs/dbraw/zinc/08/78/88/1126087888.db2.gz KCIWCGIWBMGLOO-KRWDZBQOSA-N -1 3 396.834 3.452 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1ccn(-c2ccccc2)n1 ZINC000426821534 1126092816 /nfs/dbraw/zinc/09/28/16/1126092816.db2.gz UEGJUDQLWODSJL-SFHVURJKSA-N -1 3 387.386 3.259 20 0 GGADHM CCCCn1nc(C)c(CN[C@H](Cc2cccc(OC)c2)C(=O)[O-])c1Cl ZINC000864513666 1126113573 /nfs/dbraw/zinc/11/35/73/1126113573.db2.gz FSVJWBXJUKMRRN-QGZVFWFLSA-N -1 3 379.888 3.439 20 0 GGADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC001116763492 1126145851 /nfs/dbraw/zinc/14/58/51/1126145851.db2.gz XPCQDECCEQFBQC-LBPRGKRZSA-N -1 3 382.169 3.452 20 0 GGADHM COc1cc(-c2ccccc2)ccc1CN[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001116763479 1126145938 /nfs/dbraw/zinc/14/59/38/1126145938.db2.gz XGVYMWPTPLBXFO-GOSISDBHSA-N -1 3 385.851 3.455 20 0 GGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1csc(-c2ccccn2)n1 ZINC001255787080 1126160136 /nfs/dbraw/zinc/16/01/36/1126160136.db2.gz UZUJKSXWFXSZQI-GOSISDBHSA-N -1 3 378.457 3.472 20 0 GGADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1ccc(-c2c(F)cccc2F)o1 ZINC001255794495 1126160542 /nfs/dbraw/zinc/16/05/42/1126160542.db2.gz UWRXVQYILNSKAN-AWEZNQCLSA-N -1 3 381.766 3.318 20 0 GGADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cc(Br)ccc1Cl ZINC001320873106 1126170816 /nfs/dbraw/zinc/17/08/16/1126170816.db2.gz WDCNUZFNQMBZQX-LBPRGKRZSA-N -1 3 393.068 3.195 20 0 GGADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1ccc(Br)cc1Cl ZINC001343648901 1126182423 /nfs/dbraw/zinc/18/24/23/1126182423.db2.gz UJRMTASPKYHXQY-GFCCVEGCSA-N -1 3 393.068 3.195 20 0 GGADHM CC(C)Oc1cc(Cl)c(CN[C@H](Cc2ncccn2)C(=O)[O-])cc1Cl ZINC001348501536 1126182707 /nfs/dbraw/zinc/18/27/07/1126182707.db2.gz FDGUXGCWNAHWRJ-CQSZACIVSA-N -1 3 384.263 3.356 20 0 GGADHM Cc1cc(C)c(CN[C@@](C)(Cn2cccn2)C(=O)[O-])c(OCc2ccccc2)n1 ZINC001600161237 1126218150 /nfs/dbraw/zinc/21/81/50/1126218150.db2.gz IPAJHCCEYJSQBJ-QFIPXVFZSA-N -1 3 394.475 3.107 20 0 GGADHM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCc1cccnc1Br ZINC001601656828 1126222918 /nfs/dbraw/zinc/22/29/18/1126222918.db2.gz FPPFLBPEUGRRFV-CQSZACIVSA-N -1 3 375.222 3.376 20 0 GGADHM O=C([O-])[C@@H](Cc1cc2ccccc2o1)[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601658307 1126223549 /nfs/dbraw/zinc/22/35/49/1126223549.db2.gz UFIHQGNSXLGVJW-GOSISDBHSA-N -1 3 389.411 3.381 20 0 GGADHM O=C([O-])[C@@]1(NCc2c(F)cncc2F)CCc2cc(Br)ccc2C1 ZINC001601721029 1126226681 /nfs/dbraw/zinc/22/66/81/1126226681.db2.gz ZBYYEQRBLNFOEW-QGZVFWFLSA-N -1 3 397.219 3.224 20 0 GGADHM C[C@@](Cc1ccc(F)cc1)(NCc1ncc(Br)cc1F)C(=O)[O-] ZINC001604222437 1126228544 /nfs/dbraw/zinc/22/85/44/1126228544.db2.gz DHMHDFMLJIHNJO-INIZCTEOSA-N -1 3 385.208 3.298 20 0 GGADHM COc1cccc(OC)c1CN[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001607328292 1126233603 /nfs/dbraw/zinc/23/36/03/1126233603.db2.gz VTAJDXNWRPGMRJ-HNNXBMFYSA-N -1 3 394.265 3.252 20 0 GGADHM Cc1oc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)cc1C(=O)[O-] ZINC001608051659 1126235452 /nfs/dbraw/zinc/23/54/52/1126235452.db2.gz ZNKQADBJOHGTIW-GOSISDBHSA-N -1 3 394.265 3.058 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1Br)NCc1cn2cccc(F)c2n1 ZINC001608542734 1126237382 /nfs/dbraw/zinc/23/73/82/1126237382.db2.gz XLXYYWQNPUVGIU-HNNXBMFYSA-N -1 3 392.228 3.021 20 0 GGADHM Cc1ccc(C[C@H](NCc2nn(-c3ccccc3)c3c2CCC3)C(=O)[O-])cc1 ZINC001610499848 1126239494 /nfs/dbraw/zinc/23/94/94/1126239494.db2.gz PJSLEZUXVSOBKZ-FQEVSTJZSA-N -1 3 375.472 3.455 20 0 GGADHM COc1cc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2cnccn2)cc(OC)c1[O-] ZINC000359864286 203795927 /nfs/dbraw/zinc/79/59/27/203795927.db2.gz AXOZVCQNSKZXMB-LJQANCHMSA-N -1 3 397.406 3.200 20 0 GGADHM CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000003363171 204001868 /nfs/dbraw/zinc/00/18/68/204001868.db2.gz XDEVSQSAIDEKLQ-UHFFFAOYSA-N -1 3 393.436 3.399 20 0 GGADHM CCOC(=O)c1[n-]c(COC(=O)c2ccc(C)s2)c(C(=O)OCC)c1C ZINC000003443202 204007238 /nfs/dbraw/zinc/00/72/38/204007238.db2.gz AZUUIONJJYLJGL-UHFFFAOYSA-N -1 3 379.434 3.403 20 0 GGADHM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000005336182 204126862 /nfs/dbraw/zinc/12/68/62/204126862.db2.gz ALVLRSYXBCFSFL-UHFFFAOYSA-N -1 3 386.260 3.261 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nnc(C)s3)nc(=O)c2c1C ZINC000004938629 204094439 /nfs/dbraw/zinc/09/44/39/204094439.db2.gz JQXHAGUSJRECKH-ZETCQYMHSA-N -1 3 396.519 3.483 20 0 GGADHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)o1 ZINC000006498236 204181518 /nfs/dbraw/zinc/18/15/18/204181518.db2.gz FAGMJSPGFRSXJK-UHFFFAOYSA-N -1 3 382.401 3.193 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2cc(F)c(F)c(F)c2F)cc(C(=O)OC)c1 ZINC000006637665 204187697 /nfs/dbraw/zinc/18/76/97/204187697.db2.gz OUUKUXPGIJVCDV-UHFFFAOYSA-N -1 3 385.269 3.069 20 0 GGADHM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)[N-]C1=NCCS1 ZINC000006654049 204189359 /nfs/dbraw/zinc/18/93/59/204189359.db2.gz IECRHRFYWKNIOL-UHFFFAOYSA-N -1 3 395.513 3.245 20 0 GGADHM CCn1c(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)nnc1C1CC1 ZINC000006934810 204224881 /nfs/dbraw/zinc/22/48/81/204224881.db2.gz AIVSHWQPVLGJDM-UHFFFAOYSA-N -1 3 389.506 3.277 20 0 GGADHM CCn1c2ccccc2nc1SCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000006974759 204227166 /nfs/dbraw/zinc/22/71/66/204227166.db2.gz JIAJFYIPXSFPBJ-UHFFFAOYSA-N -1 3 389.502 3.403 20 0 GGADHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cccc(Oc2ccccc2)c1 ZINC000006993045 204229158 /nfs/dbraw/zinc/22/91/58/204229158.db2.gz FJXPHOYLFYCTEW-UHFFFAOYSA-N -1 3 379.416 3.378 20 0 GGADHM C[C@H](Sc1nc(N)n[nH]1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000008671514 204283593 /nfs/dbraw/zinc/28/35/93/204283593.db2.gz LPZLWESERAEVSO-LURJTMIESA-N -1 3 376.492 3.267 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000008746398 204286827 /nfs/dbraw/zinc/28/68/27/204286827.db2.gz OKRKOYLYBHWDKH-INIZCTEOSA-N -1 3 397.834 3.420 20 0 GGADHM COc1cc(Br)c(COC(=O)c2ccc([O-])cc2O)cc1OC ZINC000008129498 204262612 /nfs/dbraw/zinc/26/26/12/204262612.db2.gz CZQSAWOFMWRQOJ-UHFFFAOYSA-N -1 3 383.194 3.235 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c(C)c1C ZINC000009220073 204303111 /nfs/dbraw/zinc/30/31/11/204303111.db2.gz WGJOLFBQCNSZPC-UHFFFAOYSA-N -1 3 385.493 3.220 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(OC)cc1 ZINC000009646541 204317746 /nfs/dbraw/zinc/31/77/46/204317746.db2.gz YWIBSPQOLQVHKK-UHFFFAOYSA-N -1 3 391.470 3.175 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011450563 204346734 /nfs/dbraw/zinc/34/67/34/204346734.db2.gz GMTUYWPAGXKVAR-UHFFFAOYSA-N -1 3 392.546 3.455 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)on1 ZINC000011003281 204341128 /nfs/dbraw/zinc/34/11/28/204341128.db2.gz MPMJGTSZANNOGZ-CYBMUJFWSA-N -1 3 397.387 3.321 20 0 GGADHM O=C(c1cc2ccccc2o1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011228176 204343795 /nfs/dbraw/zinc/34/37/95/204343795.db2.gz XOPBEMKPYDPYMF-UHFFFAOYSA-N -1 3 390.486 3.077 20 0 GGADHM CCOc1ccccc1NC(=O)CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000013056093 204479870 /nfs/dbraw/zinc/47/98/70/204479870.db2.gz HYYVWUUBRRKPEY-UHFFFAOYSA-N -1 3 384.461 3.477 20 0 GGADHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)ccc21 ZINC000014187468 204526483 /nfs/dbraw/zinc/52/64/83/204526483.db2.gz WKOXQFCZGOVLCA-UHFFFAOYSA-N -1 3 384.379 3.204 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000036392879 205016900 /nfs/dbraw/zinc/01/69/00/205016900.db2.gz SUTKORZHPCCRBR-INIZCTEOSA-N -1 3 397.834 3.420 20 0 GGADHM C[C@@]1(c2cccc(NC(=O)c3csc(-c4cccs4)n3)c2)NC(=O)[N-]C1=O ZINC000040111167 205052061 /nfs/dbraw/zinc/05/20/61/205052061.db2.gz KAQNWPDXVKZLSQ-SFHVURJKSA-N -1 3 398.469 3.179 20 0 GGADHM Cc1ccc(CCC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1Cl ZINC000040110964 205053169 /nfs/dbraw/zinc/05/31/69/205053169.db2.gz ZBSZFHLTBYTZFK-HXUWFJFHSA-N -1 3 385.851 3.274 20 0 GGADHM C[C@@]1(c2cccc(NC(=O)C3(c4cccc(Cl)c4)CCC3)c2)NC(=O)[N-]C1=O ZINC000040117746 205054276 /nfs/dbraw/zinc/05/42/76/205054276.db2.gz PKFSIAZUXGIHMC-FQEVSTJZSA-N -1 3 397.862 3.455 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCCC1 ZINC000047032266 205108390 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GGADHM Cc1nc(S(=O)(=O)[N-]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cn1C ZINC000058356549 205173027 /nfs/dbraw/zinc/17/30/27/205173027.db2.gz GOQAHHYGGWVQBR-GOSISDBHSA-N -1 3 394.500 3.320 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)cn1C ZINC000058356548 205173045 /nfs/dbraw/zinc/17/30/45/205173045.db2.gz GOQAHHYGGWVQBR-SFHVURJKSA-N -1 3 394.500 3.320 20 0 GGADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c1 ZINC000058364688 205173758 /nfs/dbraw/zinc/17/37/58/205173758.db2.gz LMHNIAASAOTQGF-UHFFFAOYSA-N -1 3 378.837 3.086 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000064374722 205188323 /nfs/dbraw/zinc/18/83/23/205188323.db2.gz NQZIBXFDEHKBFY-UHFFFAOYSA-N -1 3 380.853 3.276 20 0 GGADHM O=C(c1csc(-c2ccccc2)n1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000058426624 205174518 /nfs/dbraw/zinc/17/45/18/205174518.db2.gz DQTZZMQEZZJQHD-UHFFFAOYSA-N -1 3 393.468 3.114 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccn(-c4ccccc4)n3)nc2)n1 ZINC000068696736 205271508 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3.418 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(Br)s2)c1 ZINC000026904789 206007591 /nfs/dbraw/zinc/00/75/91/206007591.db2.gz ICJBWXAJVZPCPW-UHFFFAOYSA-N -1 3 378.244 3.306 20 0 GGADHM CCOc1nc2cc(C(=O)NCc3cccnc3OCC(F)(F)F)ccc2[n-]1 ZINC000225703662 206069930 /nfs/dbraw/zinc/06/99/30/206069930.db2.gz UBDFOJYCUUCHKH-UHFFFAOYSA-N -1 3 394.353 3.228 20 0 GGADHM CCOc1nc2ccc(C(=O)NCc3cccnc3OCC(F)(F)F)cc2[n-]1 ZINC000225703662 206069934 /nfs/dbraw/zinc/06/99/34/206069934.db2.gz UBDFOJYCUUCHKH-UHFFFAOYSA-N -1 3 394.353 3.228 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)[n-]1 ZINC000225530722 206055203 /nfs/dbraw/zinc/05/52/03/206055203.db2.gz UJQGTFPHEMQEJF-JTQLQIEISA-N -1 3 396.900 3.206 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)n[n-]1 ZINC000225530722 206055208 /nfs/dbraw/zinc/05/52/08/206055208.db2.gz UJQGTFPHEMQEJF-JTQLQIEISA-N -1 3 396.900 3.206 20 0 GGADHM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1ccc(F)cc1C(F)(F)F ZINC000225547586 206057091 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CC(C)CN1CCC[C@@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000120229595 564310680 /nfs/dbraw/zinc/31/06/80/564310680.db2.gz WFGCYOZZQVFVSC-LBPRGKRZSA-N -1 3 395.388 3.157 20 0 GGADHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000042295047 564444878 /nfs/dbraw/zinc/44/48/78/564444878.db2.gz KWKYTTADNSFJJN-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CN1C1CC1 ZINC000124087933 564471081 /nfs/dbraw/zinc/47/10/81/564471081.db2.gz IBGYLWASUYYZIC-KOLCDFICSA-N -1 3 393.734 3.006 20 0 GGADHM O=S(=O)([N-]CCC1CC1)c1ccc(Br)cc1Br ZINC000091306462 564869959 /nfs/dbraw/zinc/86/99/59/564869959.db2.gz OKQAYTYTTNUDCV-UHFFFAOYSA-N -1 3 383.105 3.290 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000114707079 564180990 /nfs/dbraw/zinc/18/09/90/564180990.db2.gz SOVXJTZJSUTFIO-OLZOCXBDSA-N -1 3 384.548 3.149 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000115108396 564186187 /nfs/dbraw/zinc/18/61/87/564186187.db2.gz 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ZINC000115700816 564197755 /nfs/dbraw/zinc/19/77/55/564197755.db2.gz CICWFYZDVSOBFA-ZDUSSCGKSA-N -1 3 387.571 3.204 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)nc1C ZINC000115900160 564200470 /nfs/dbraw/zinc/20/04/70/564200470.db2.gz YXWDHDCZTDFRMF-UHFFFAOYSA-N -1 3 380.214 3.053 20 0 GGADHM CN(C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)c1nccs1 ZINC000116196940 564205574 /nfs/dbraw/zinc/20/55/74/564205574.db2.gz YTLFRPNDFBNCMP-UHFFFAOYSA-N -1 3 399.544 3.021 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000116370994 564208466 /nfs/dbraw/zinc/20/84/66/564208466.db2.gz VGGKBCFIVCEEPV-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000116357373 564208612 /nfs/dbraw/zinc/20/86/12/564208612.db2.gz UVSUMHGTWOXOEZ-AAEUAGOBSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000116356322 564208696 /nfs/dbraw/zinc/20/86/96/564208696.db2.gz NRLDYFRWZPOZGV-NEPJUHHUSA-N -1 3 393.336 3.355 20 0 GGADHM Cc1ccc(-c2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)n[nH]2)s1 ZINC000116377090 564209230 /nfs/dbraw/zinc/20/92/30/564209230.db2.gz PWLGOECDDWOURB-UHFFFAOYSA-N -1 3 376.463 3.070 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000116461147 564211286 /nfs/dbraw/zinc/21/12/86/564211286.db2.gz FCXKBCLHDWRUBF-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Cl)c(F)c1 ZINC000116463033 564211521 /nfs/dbraw/zinc/21/15/21/564211521.db2.gz HVVVZAJZTFEKNK-UHFFFAOYSA-N -1 3 383.253 3.111 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000116461803 564211645 /nfs/dbraw/zinc/21/16/45/564211645.db2.gz SVZLAVWMWDWTPZ-JTQLQIEISA-N -1 3 398.893 3.303 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000116461806 564211697 /nfs/dbraw/zinc/21/16/97/564211697.db2.gz SVZLAVWMWDWTPZ-SNVBAGLBSA-N -1 3 398.893 3.303 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nccn3C)nc(=O)c2c1C ZINC000005359514 564215399 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COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000117375073 564226532 /nfs/dbraw/zinc/22/65/32/564226532.db2.gz USRURVNTHGHNAW-NEPJUHHUSA-N -1 3 394.356 3.410 20 0 GGADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000117374925 564226601 /nfs/dbraw/zinc/22/66/01/564226601.db2.gz CWGMYCJQOGXMHN-QWRGUYRKSA-N -1 3 394.921 3.390 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2C)n[n-]1 ZINC000539782901 564228035 /nfs/dbraw/zinc/22/80/35/564228035.db2.gz FQDFKIUXROPPME-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2C)[n-]n1 ZINC000539782901 564228038 /nfs/dbraw/zinc/22/80/38/564228038.db2.gz FQDFKIUXROPPME-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CCc1nnc([N-]C(=O)c2nn(-c3ccc(F)cc3)cc2Br)s1 ZINC000117567166 564229463 /nfs/dbraw/zinc/22/94/63/564229463.db2.gz UTSYXRICBOHSIC-UHFFFAOYSA-N -1 3 396.245 3.440 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000007056302 564232105 /nfs/dbraw/zinc/23/21/05/564232105.db2.gz XYPQXWQRBCDKHI-UHFFFAOYSA-N -1 3 377.340 3.403 20 0 GGADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000007246312 564234272 /nfs/dbraw/zinc/23/42/72/564234272.db2.gz DZUFLBPHOQSWLZ-NSHDSACASA-N -1 3 387.807 3.225 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1)c1ccc(Br)cc1Cl ZINC000007304387 564235505 /nfs/dbraw/zinc/23/55/05/564235505.db2.gz JQHZSGWHQMPMLR-UHFFFAOYSA-N -1 3 390.686 3.460 20 0 GGADHM CCc1nnc([N-]C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)s1 ZINC000007462794 564237087 /nfs/dbraw/zinc/23/70/87/564237087.db2.gz MAQWTIGFWNPZNG-UHFFFAOYSA-N -1 3 376.463 3.494 20 0 GGADHM Cc1ccc(-c2csc3[n-]c(CSCC(=O)N(C)C)nc(=O)c23)s1 ZINC000007809769 564240429 /nfs/dbraw/zinc/24/04/29/564240429.db2.gz JDBBSKOUHHSBLE-UHFFFAOYSA-N -1 3 379.532 3.343 20 0 GGADHM CS(=O)(=O)Cc1noc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000118747847 564245849 /nfs/dbraw/zinc/24/58/49/564245849.db2.gz WSRBAVMILILTGE-UHFFFAOYSA-N -1 3 397.865 3.248 20 0 GGADHM O=C(c1ccc(Cl)s1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009853629 564255392 /nfs/dbraw/zinc/25/53/92/564255392.db2.gz CFBWRBUUIPZXOQ-UHFFFAOYSA-N -1 3 390.939 3.046 20 0 GGADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC[C@@H]1CCCO1 ZINC000010316376 564256764 /nfs/dbraw/zinc/25/67/64/564256764.db2.gz SFDOZQLFZRVNPC-QWRGUYRKSA-N -1 3 382.486 3.197 20 0 GGADHM Cc1csc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000010554295 564258961 /nfs/dbraw/zinc/25/89/61/564258961.db2.gz NFMDSFIZZAVCMK-UHFFFAOYSA-N -1 3 394.305 3.065 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000119201740 564259154 /nfs/dbraw/zinc/25/91/54/564259154.db2.gz YIKJHNHJJDSENQ-KSSFIOAISA-N -1 3 381.519 3.352 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCCCC(F)(F)F)[n-]c(=O)c21 ZINC000119200801 564259216 /nfs/dbraw/zinc/25/92/16/564259216.db2.gz UCSFYOWOKXRSFJ-UHFFFAOYSA-N -1 3 375.372 3.238 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(F)cc(F)c1 ZINC000010663454 564259349 /nfs/dbraw/zinc/25/93/49/564259349.db2.gz LODMKZGWBCJLEL-UHFFFAOYSA-N -1 3 395.214 3.189 20 0 GGADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2nccn2C)cc1 ZINC000010749711 564259702 /nfs/dbraw/zinc/25/97/02/564259702.db2.gz HPEJSFIWGCKKPN-HNNXBMFYSA-N -1 3 397.909 3.212 20 0 GGADHM COc1c(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c(C)nn1C ZINC000119232388 564261384 /nfs/dbraw/zinc/26/13/84/564261384.db2.gz AVJIDXAKVMXTEQ-UHFFFAOYSA-N -1 3 385.898 3.084 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N(C)CC(=O)Nc2c(Cl)cccc2Cl)on1 ZINC000011253784 564262758 /nfs/dbraw/zinc/26/27/58/564262758.db2.gz XFRPDWWMXYBALK-JTQLQIEISA-N -1 3 385.251 3.187 20 0 GGADHM NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000119289327 564263734 /nfs/dbraw/zinc/26/37/34/564263734.db2.gz GKZYNRLCIHXZKJ-UHFFFAOYSA-N -1 3 380.278 3.024 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1c(C)noc1C ZINC000119341174 564265776 /nfs/dbraw/zinc/26/57/76/564265776.db2.gz XQTWVVFQIYJSMA-CQSZACIVSA-N -1 3 386.857 3.161 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC2 ZINC000012208144 564266580 /nfs/dbraw/zinc/26/65/80/564266580.db2.gz VTEDADBVFWIMSP-UHFFFAOYSA-N -1 3 399.299 3.399 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)CC[N-]S(=O)(=O)c2cccs2)s1 ZINC000119441498 564271143 /nfs/dbraw/zinc/27/11/43/564271143.db2.gz YBNJICBAKIDDJM-UHFFFAOYSA-N -1 3 387.552 3.019 20 0 GGADHM CS(=O)(=O)c1cccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000012829477 564271319 /nfs/dbraw/zinc/27/13/19/564271319.db2.gz AADIKFXMVYEHIG-UHFFFAOYSA-N -1 3 375.837 3.386 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000119465070 564272570 /nfs/dbraw/zinc/27/25/70/564272570.db2.gz PYPBISSOUUKNAI-LLVKDONJSA-N -1 3 376.297 3.177 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000012945140 564272669 /nfs/dbraw/zinc/27/26/69/564272669.db2.gz XLIANTXRNZCWQP-NSHDSACASA-N -1 3 375.222 3.146 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000119454104 564272642 /nfs/dbraw/zinc/27/26/42/564272642.db2.gz KPFARZZFFYXBCU-ZIAGYGMSSA-N -1 3 382.507 3.152 20 0 GGADHM CC(C)COCCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012982467 564273228 /nfs/dbraw/zinc/27/32/28/564273228.db2.gz AGILKGKXJKIJRW-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3cccnc3)on2)c1 ZINC000119481022 564273437 /nfs/dbraw/zinc/27/34/37/564273437.db2.gz HKXBCFHJNHTYDO-UHFFFAOYSA-N -1 3 377.809 3.046 20 0 GGADHM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000014098671 564279383 /nfs/dbraw/zinc/27/93/83/564279383.db2.gz VLVUDVPPJLUBQJ-RYUDHWBXSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000014098691 564279575 /nfs/dbraw/zinc/27/95/75/564279575.db2.gz GFHHSXQDPJMPGU-RYUDHWBXSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000014098600 564279637 /nfs/dbraw/zinc/27/96/37/564279637.db2.gz MPQIKSUZMWJTIZ-VXGBXAGGSA-N -1 3 395.352 3.160 20 0 GGADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1F ZINC000014210094 564280475 /nfs/dbraw/zinc/28/04/75/564280475.db2.gz RMSBHYGIEIGVGD-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)Cc2csc(-c3cccs3)n2)on1 ZINC000014572860 564282382 /nfs/dbraw/zinc/28/23/82/564282382.db2.gz PZEKQBKKCCXYMV-JTQLQIEISA-N -1 3 377.447 3.281 20 0 GGADHM CO[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000119700800 564283830 /nfs/dbraw/zinc/28/38/30/564283830.db2.gz NKSFLMSILRDUFI-MRXNPFEDSA-N -1 3 397.244 3.481 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccccc1Cl ZINC000015099220 564284380 /nfs/dbraw/zinc/28/43/80/564284380.db2.gz JXNPQTIWAMAKPL-UHFFFAOYSA-N -1 3 392.786 3.433 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)Cc1nc(=O)c2c(C)csc2[n-]1 ZINC000119711091 564284941 /nfs/dbraw/zinc/28/49/41/564284941.db2.gz ZCIFGKYKDNPHNS-UHFFFAOYSA-N -1 3 377.853 3.445 20 0 GGADHM Cc1c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cccc1C(F)(F)F ZINC000119712705 564285148 /nfs/dbraw/zinc/28/51/48/564285148.db2.gz AOJLBCHEMNBALZ-JTQLQIEISA-N -1 3 392.424 3.381 20 0 GGADHM Cc1c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cccc1C(F)(F)F ZINC000119712545 564285180 /nfs/dbraw/zinc/28/51/80/564285180.db2.gz AOJLBCHEMNBALZ-SNVBAGLBSA-N -1 3 392.424 3.381 20 0 GGADHM CCc1nc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000119795386 564288888 /nfs/dbraw/zinc/28/88/88/564288888.db2.gz FIKNPGKIRZYMGL-UHFFFAOYSA-N -1 3 384.299 3.216 20 0 GGADHM COC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(C)o1 ZINC000119798240 564289109 /nfs/dbraw/zinc/28/91/09/564289109.db2.gz QNKGTFBRZVUJKK-ZDUSSCGKSA-N -1 3 383.242 3.243 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000015591059 564289428 /nfs/dbraw/zinc/28/94/28/564289428.db2.gz HOLCERGUATUWGA-UHFFFAOYSA-N -1 3 392.786 3.064 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000015796432 564289794 /nfs/dbraw/zinc/28/97/94/564289794.db2.gz GSQQTXONRJXGKJ-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000015812614 564289807 /nfs/dbraw/zinc/28/98/07/564289807.db2.gz LGSULWPJGOBBJI-SECBINFHSA-N -1 3 383.474 3.136 20 0 GGADHM Cc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000016013121 564291371 /nfs/dbraw/zinc/29/13/71/564291371.db2.gz QRTUKPDGLZUSJQ-UHFFFAOYSA-N -1 3 391.265 3.482 20 0 GGADHM CCNC(=O)NC(=O)CSc1nnc([N-]c2c(C)cc(C)cc2Cl)s1 ZINC000016328437 564292759 /nfs/dbraw/zinc/29/27/59/564292759.db2.gz CPWYQKRQKBVNPP-UHFFFAOYSA-N -1 3 399.929 3.490 20 0 GGADHM CC(C)(COc1ncccc1Br)[N-]S(=O)(=O)c1cccs1 ZINC000119911512 564294715 /nfs/dbraw/zinc/29/47/15/564294715.db2.gz ZEYLZMQKWRYPLT-UHFFFAOYSA-N -1 3 391.312 3.042 20 0 GGADHM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1 ZINC000016727793 564296050 /nfs/dbraw/zinc/29/60/50/564296050.db2.gz LFIQFBNTYVGBJX-UHFFFAOYSA-N -1 3 389.658 3.002 20 0 GGADHM COCc1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC000119955169 564296512 /nfs/dbraw/zinc/29/65/12/564296512.db2.gz NNLQPBDSSGTGQK-UHFFFAOYSA-N -1 3 377.857 3.143 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2F)cc1OC ZINC000017319678 564297911 /nfs/dbraw/zinc/29/79/11/564297911.db2.gz ZPGABHWUNPVCRR-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000119965830 564297970 /nfs/dbraw/zinc/29/79/70/564297970.db2.gz ZSMSCJWCFCSKJA-OAHLLOKOSA-N -1 3 382.526 3.386 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000017521605 564298269 /nfs/dbraw/zinc/29/82/69/564298269.db2.gz FTBOMJGQLJMJES-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)N1CCCC1 ZINC000017356517 564298532 /nfs/dbraw/zinc/29/85/32/564298532.db2.gz XLTFENVQECRBSE-UHFFFAOYSA-N -1 3 378.881 3.055 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1F ZINC000017522080 564298557 /nfs/dbraw/zinc/29/85/57/564298557.db2.gz AMPREZRTIARCTC-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000018114744 564301403 /nfs/dbraw/zinc/30/14/03/564301403.db2.gz RUODIHWWPVNHDG-UHFFFAOYSA-N -1 3 378.215 3.025 20 0 GGADHM CSC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000120040799 564301763 /nfs/dbraw/zinc/30/17/63/564301763.db2.gz YLQQDSLDVHXBJS-GFCCVEGCSA-N -1 3 390.596 3.231 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CC2CCSCC2)ccc1F ZINC000120161776 564307154 /nfs/dbraw/zinc/30/71/54/564307154.db2.gz GDIYGGGBDLSRDX-UHFFFAOYSA-N -1 3 388.530 3.374 20 0 GGADHM COc1ccc(Br)cc1CN(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000021921328 564313190 /nfs/dbraw/zinc/31/31/90/564313190.db2.gz CZZRHMFQJILREU-UHFFFAOYSA-N -1 3 394.294 3.388 20 0 GGADHM Cc1cc(C)c(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000120296127 564313702 /nfs/dbraw/zinc/31/37/02/564313702.db2.gz KTJCRWVWRNERQQ-UHFFFAOYSA-N -1 3 386.926 3.035 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[n-]1 ZINC000509868883 564315451 /nfs/dbraw/zinc/31/54/51/564315451.db2.gz HXUWTJNFEVBOLD-UHFFFAOYSA-N -1 3 380.788 3.365 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(C)c3Br)cc12 ZINC000120333858 564315875 /nfs/dbraw/zinc/31/58/75/564315875.db2.gz YAASVLOQHWSROB-UHFFFAOYSA-N -1 3 382.239 3.403 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3c(C)noc3C)s2)cs1 ZINC000120442193 564319641 /nfs/dbraw/zinc/31/96/41/564319641.db2.gz UZTUNLFQKZPITF-UHFFFAOYSA-N -1 3 383.520 3.306 20 0 GGADHM O=S(=O)([N-]CC1CCN(Cc2cccs2)CC1)c1ccc(F)cc1F ZINC000023000372 564321110 /nfs/dbraw/zinc/32/11/10/564321110.db2.gz OMUUPRRKHBIKCK-UHFFFAOYSA-N -1 3 386.489 3.217 20 0 GGADHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)c1ccccc1Cl ZINC000023482313 564325129 /nfs/dbraw/zinc/32/51/29/564325129.db2.gz HOWAELJLRCYOFB-LBPRGKRZSA-N -1 3 384.860 3.025 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000023864077 564327565 /nfs/dbraw/zinc/32/75/65/564327565.db2.gz BSXVTQLDMGRPPK-NSHDSACASA-N -1 3 385.283 3.282 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCCc2ccccc2Br)n[n-]1 ZINC000542833070 564327733 /nfs/dbraw/zinc/32/77/33/564327733.db2.gz WYLRFTXKWBTJMM-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCCc2ccccc2Br)[n-]n1 ZINC000542833070 564327736 /nfs/dbraw/zinc/32/77/36/564327736.db2.gz WYLRFTXKWBTJMM-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000024307692 564329226 /nfs/dbraw/zinc/32/92/26/564329226.db2.gz CVZDZBAWSHWPQQ-LLVKDONJSA-N -1 3 384.889 3.101 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2Br)c1 ZINC000024257548 564329242 /nfs/dbraw/zinc/32/92/42/564329242.db2.gz OJHAJNWLFQFYSA-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000024307685 564329772 /nfs/dbraw/zinc/32/97/72/564329772.db2.gz CVZDZBAWSHWPQQ-NSHDSACASA-N -1 3 384.889 3.101 20 0 GGADHM Cc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1Br ZINC000120615001 564329853 /nfs/dbraw/zinc/32/98/53/564329853.db2.gz ZZHJMZMGJDEMAS-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000024485770 564331722 /nfs/dbraw/zinc/33/17/22/564331722.db2.gz VIUVNYUDIZJLAQ-LLVKDONJSA-N -1 3 377.846 3.123 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000120694589 564332798 /nfs/dbraw/zinc/33/27/98/564332798.db2.gz GRXSDGKPEWDTEB-GZMMTYOYSA-N -1 3 389.857 3.162 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Br)cc1F ZINC000024890566 564334450 /nfs/dbraw/zinc/33/44/50/564334450.db2.gz WJYGKORQVKBUEL-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM COc1ccc(SCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024893002 564335002 /nfs/dbraw/zinc/33/50/02/564335002.db2.gz LLNISHJLELYHPU-UHFFFAOYSA-N -1 3 380.491 3.188 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Br)cc2C(C)C)c(=O)[n-]1 ZINC000120811150 564337694 /nfs/dbraw/zinc/33/76/94/564337694.db2.gz ZMMNLOFHYOATBG-UHFFFAOYSA-N -1 3 378.270 3.454 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)c(Cl)cc1F ZINC000120802425 564337853 /nfs/dbraw/zinc/33/78/53/564337853.db2.gz KCOBTGFQISIEDJ-CHWSQXEVSA-N -1 3 390.908 3.149 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1Br ZINC000120844235 564340239 /nfs/dbraw/zinc/34/02/39/564340239.db2.gz ICNBLBDDDMKXGK-UHFFFAOYSA-N -1 3 375.219 3.183 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)s2)cs1 ZINC000120901852 564342356 /nfs/dbraw/zinc/34/23/56/564342356.db2.gz WYDYWELSOUXHFA-VQISRLSMSA-N -1 3 384.548 3.272 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000120926029 564343451 /nfs/dbraw/zinc/34/34/51/564343451.db2.gz ACXWWYKJJBIWIY-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000026234032 564344466 /nfs/dbraw/zinc/34/44/66/564344466.db2.gz VKIHWRCSCOWQLD-ZDUSSCGKSA-N -1 3 395.352 3.019 20 0 GGADHM C[C@@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000026243563 564344537 /nfs/dbraw/zinc/34/45/37/564344537.db2.gz KHAQVUPMCUMFBH-GFCCVEGCSA-N -1 3 399.563 3.023 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000026238887 564344630 /nfs/dbraw/zinc/34/46/30/564344630.db2.gz NPGDMMJIDRQFOM-UHFFFAOYSA-N -1 3 377.315 3.432 20 0 GGADHM C[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000026243569 564344784 /nfs/dbraw/zinc/34/47/84/564344784.db2.gz KHAQVUPMCUMFBH-LBPRGKRZSA-N -1 3 399.563 3.023 20 0 GGADHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)co1 ZINC000120948313 564345276 /nfs/dbraw/zinc/34/52/76/564345276.db2.gz HTVAOQAMOHBIDE-UHFFFAOYSA-N -1 3 384.479 3.073 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000026527246 564347427 /nfs/dbraw/zinc/34/74/27/564347427.db2.gz OMMYSGPNSYSHIO-UHFFFAOYSA-N -1 3 386.267 3.275 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C)ccc3Br)cc12 ZINC000121019177 564348991 /nfs/dbraw/zinc/34/89/91/564348991.db2.gz FWZWXROHBFBYPU-UHFFFAOYSA-N -1 3 382.239 3.403 20 0 GGADHM O=S(=O)([N-]CCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 ZINC000026831023 564349530 /nfs/dbraw/zinc/34/95/30/564349530.db2.gz PUQQGLYPICNXJW-UHFFFAOYSA-N -1 3 385.820 3.206 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1ccc(F)cc1Cl ZINC000026818255 564349783 /nfs/dbraw/zinc/34/97/83/564349783.db2.gz RTOFVDJDPFEBRM-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1cccc(Cl)c1Cl ZINC000026838462 564349902 /nfs/dbraw/zinc/34/99/02/564349902.db2.gz AROBTVRKKLZMAI-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)C)s2)cs1 ZINC000121052673 564351367 /nfs/dbraw/zinc/35/13/67/564351367.db2.gz TUVIIKKTRFJIDO-SNVBAGLBSA-N -1 3 388.536 3.046 20 0 GGADHM C[C@H]1CCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000026978726 564351451 /nfs/dbraw/zinc/35/14/51/564351451.db2.gz IWBSTZVRRDQFIJ-SMDDNHRTSA-N -1 3 393.336 3.357 20 0 GGADHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000027334218 564353907 /nfs/dbraw/zinc/35/39/07/564353907.db2.gz IJOCJKIUXDXJRA-CQSZACIVSA-N -1 3 379.254 3.315 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccsc1 ZINC000121157873 564355856 /nfs/dbraw/zinc/35/58/56/564355856.db2.gz IJEUXHSTNNHDCI-AWEZNQCLSA-N -1 3 379.425 3.094 20 0 GGADHM Cc1cccnc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000027994021 564358714 /nfs/dbraw/zinc/35/87/14/564358714.db2.gz OXULBEIFSPRWER-UHFFFAOYSA-N -1 3 381.885 3.373 20 0 GGADHM COc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1Br ZINC000028021222 564358945 /nfs/dbraw/zinc/35/89/45/564358945.db2.gz ZBDAKAZKTYWRTL-UHFFFAOYSA-N -1 3 399.266 3.082 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2cccc(C(N)=O)c2)c1Cl ZINC000028056408 564359385 /nfs/dbraw/zinc/35/93/85/564359385.db2.gz MCKYKMUROYKWCN-UHFFFAOYSA-N -1 3 387.288 3.188 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1OC(F)F ZINC000028055290 564359740 /nfs/dbraw/zinc/35/97/40/564359740.db2.gz SIIOSGONAVXTHK-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM Cc1csc(-c2ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc2)n1 ZINC000121249915 564361205 /nfs/dbraw/zinc/36/12/05/564361205.db2.gz XYGZFLHWGUZEJQ-CQSZACIVSA-N -1 3 381.523 3.021 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CCc2ccccc2C1 ZINC000028322299 564361675 /nfs/dbraw/zinc/36/16/75/564361675.db2.gz JHNAFDIMDOLBKO-CYBMUJFWSA-N -1 3 382.888 3.204 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)n[n-]1 ZINC000543761024 564362764 /nfs/dbraw/zinc/36/27/64/564362764.db2.gz MDFBCZBVIUHLMR-SECBINFHSA-N -1 3 398.282 3.468 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)[n-]n1 ZINC000543761024 564362768 /nfs/dbraw/zinc/36/27/68/564362768.db2.gz MDFBCZBVIUHLMR-SECBINFHSA-N -1 3 398.282 3.468 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2nc3cc(Cl)ccc3s2)n[n-]1 ZINC000543761989 564363046 /nfs/dbraw/zinc/36/30/46/564363046.db2.gz GITOHLYRMFZGBJ-UHFFFAOYSA-N -1 3 378.841 3.421 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2nc3cc(Cl)ccc3s2)[n-]n1 ZINC000543761989 564363051 /nfs/dbraw/zinc/36/30/51/564363051.db2.gz GITOHLYRMFZGBJ-UHFFFAOYSA-N -1 3 378.841 3.421 20 0 GGADHM CCCCN(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000028664192 564363371 /nfs/dbraw/zinc/36/33/71/564363371.db2.gz JJMQDEREBDIXBG-UHFFFAOYSA-N -1 3 381.325 3.310 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1OC ZINC000029335704 564368908 /nfs/dbraw/zinc/36/89/08/564368908.db2.gz UTOZOQFANLNWEE-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000029393789 564369719 /nfs/dbraw/zinc/36/97/19/564369719.db2.gz SLAHHPSLROBNSF-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000121442981 564370027 /nfs/dbraw/zinc/37/00/27/564370027.db2.gz AMLGOCQUODVLBT-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C[C@@H](C)N(C4CC4)C3)s2)cs1 ZINC000121456349 564370092 /nfs/dbraw/zinc/37/00/92/564370092.db2.gz IWNCRPHQAHMPNA-ZYHUDNBSSA-N -1 3 383.564 3.084 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000121481393 564371010 /nfs/dbraw/zinc/37/10/10/564371010.db2.gz AATUKSJUSKHBFZ-VIFPVBQESA-N -1 3 378.397 3.072 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000121467367 564371100 /nfs/dbraw/zinc/37/11/00/564371100.db2.gz PUJIRHSGUPICQQ-CQSZACIVSA-N -1 3 377.359 3.247 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000121467213 564371123 /nfs/dbraw/zinc/37/11/23/564371123.db2.gz ZUEJSUBPDJOMMX-CQSZACIVSA-N -1 3 377.359 3.247 20 0 GGADHM C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCc2sccc2C1 ZINC000029879304 564374529 /nfs/dbraw/zinc/37/45/29/564374529.db2.gz MBBSCXGDFALNOQ-NSHDSACASA-N -1 3 395.322 3.393 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])c1cccc(F)c1 ZINC000029830485 564374588 /nfs/dbraw/zinc/37/45/88/564374588.db2.gz YKMCXPVEUZGHRL-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000029846468 564374936 /nfs/dbraw/zinc/37/49/36/564374936.db2.gz JNCMSQBYCCOUBA-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM O=S(=O)([N-]CCc1nccn1Cc1ccccc1)c1ccc(Cl)s1 ZINC000030008859 564375906 /nfs/dbraw/zinc/37/59/06/564375906.db2.gz CSIXXIJZVDHRNZ-UHFFFAOYSA-N -1 3 381.910 3.167 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000121593027 564376555 /nfs/dbraw/zinc/37/65/55/564376555.db2.gz HZJZODWYBNRHIB-LBPRGKRZSA-N -1 3 386.926 3.357 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@H]4OCC[C@@H]43)s2)cs1 ZINC000121637731 564378885 /nfs/dbraw/zinc/37/88/85/564378885.db2.gz XFGWGQZQNIFWKC-YRGRVCCFSA-N -1 3 384.548 3.416 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000030384051 564380014 /nfs/dbraw/zinc/38/00/14/564380014.db2.gz VDUUQLHDBRCSQJ-LLVKDONJSA-N -1 3 387.479 3.189 20 0 GGADHM Cc1csc(-c2cccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c2)n1 ZINC000121729054 564383398 /nfs/dbraw/zinc/38/33/98/564383398.db2.gz SOAIPIVEPVOJHL-CQSZACIVSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1cccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1I ZINC000121760529 564385716 /nfs/dbraw/zinc/38/57/16/564385716.db2.gz UKQDFMSAGXWLNC-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1cccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1I ZINC000121760529 564385719 /nfs/dbraw/zinc/38/57/19/564385719.db2.gz UKQDFMSAGXWLNC-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1I ZINC000121760529 564385721 /nfs/dbraw/zinc/38/57/21/564385721.db2.gz UKQDFMSAGXWLNC-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000121788603 564386327 /nfs/dbraw/zinc/38/63/27/564386327.db2.gz SRXUWZBBJZEUPD-UHFFFAOYSA-N -1 3 394.305 3.285 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000121787289 564386403 /nfs/dbraw/zinc/38/64/03/564386403.db2.gz AVLXUZIPFMRSAE-UHFFFAOYSA-N -1 3 381.523 3.275 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2C(C)(C)C)s1 ZINC000121789662 564387314 /nfs/dbraw/zinc/38/73/14/564387314.db2.gz PHKCDMQFGCQLBI-UHFFFAOYSA-N -1 3 381.523 3.275 20 0 GGADHM CCc1cccc(CC)c1NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000121790066 564387688 /nfs/dbraw/zinc/38/76/88/564387688.db2.gz QODMRSMVFYMSNE-UHFFFAOYSA-N -1 3 381.523 3.103 20 0 GGADHM CC(C)[C@@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000031717218 564390630 /nfs/dbraw/zinc/39/06/30/564390630.db2.gz SPZLWVIPIZMDCY-LLVKDONJSA-N -1 3 381.325 3.165 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(-c3cccs3)o2)cc1 ZINC000031700116 564391077 /nfs/dbraw/zinc/39/10/77/564391077.db2.gz SNGHSJPTHHSYQE-UHFFFAOYSA-N -1 3 395.487 3.145 20 0 GGADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000121951274 564394424 /nfs/dbraw/zinc/39/44/24/564394424.db2.gz JAWHFSHCFGUGOM-UHFFFAOYSA-N -1 3 386.470 3.168 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000121951274 564394427 /nfs/dbraw/zinc/39/44/27/564394427.db2.gz JAWHFSHCFGUGOM-UHFFFAOYSA-N -1 3 386.470 3.168 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1c[nH]cn1 ZINC000121982528 564395478 /nfs/dbraw/zinc/39/54/78/564395478.db2.gz AQAMCOXDVLDAJG-CYBMUJFWSA-N -1 3 378.454 3.028 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)sc1Br ZINC000122028954 564397306 /nfs/dbraw/zinc/39/73/06/564397306.db2.gz QRQBXAHMZQWIKU-MRVPVSSYSA-N -1 3 379.301 3.463 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1cccc(Cl)c1F ZINC000032434236 564399226 /nfs/dbraw/zinc/39/92/26/564399226.db2.gz FMXWNBCGPQRGDZ-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM CC[C@@H](C)[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000122109559 564400111 /nfs/dbraw/zinc/40/01/11/564400111.db2.gz NXQLRJYNFNRCIG-MNOVXSKESA-N -1 3 381.325 3.213 20 0 GGADHM CC[C@@H](C)[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000122109180 564400596 /nfs/dbraw/zinc/40/05/96/564400596.db2.gz NXQLRJYNFNRCIG-GHMZBOCLSA-N -1 3 381.325 3.213 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1cccc(Cl)c1F ZINC000032443526 564400701 /nfs/dbraw/zinc/40/07/01/564400701.db2.gz LRYYVNRMEXSWTL-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000122159669 564402108 /nfs/dbraw/zinc/40/21/08/564402108.db2.gz LXBIOCKUDLYDNK-MRVPVSSYSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1ccc(-c2nc(CNCC[N-]S(=O)(=O)c3cccs3)cs2)cc1 ZINC000122209449 564404485 /nfs/dbraw/zinc/40/44/85/564404485.db2.gz IQYNWLHJPAVSGA-UHFFFAOYSA-N -1 3 393.559 3.248 20 0 GGADHM O=C(Nc1cccc(I)c1)c1c[n-]c2ccccc2c1=O ZINC000032658049 564404783 /nfs/dbraw/zinc/40/47/83/564404783.db2.gz VHZVFERSONCVFA-UHFFFAOYSA-N -1 3 390.180 3.385 20 0 GGADHM O=C(Nc1cccc(I)c1)c1cnc2ccccc2c1[O-] ZINC000032658049 564404786 /nfs/dbraw/zinc/40/47/86/564404786.db2.gz VHZVFERSONCVFA-UHFFFAOYSA-N -1 3 390.180 3.385 20 0 GGADHM O=C(NCCc1ccc(Br)s1)c1c[n-]c2ccccc2c1=O ZINC000032925267 564407556 /nfs/dbraw/zinc/40/75/56/564407556.db2.gz NVTHRLHSQAADKU-UHFFFAOYSA-N -1 3 377.263 3.325 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000033017883 564408585 /nfs/dbraw/zinc/40/85/85/564408585.db2.gz NELNATGIXBLNLE-AWEZNQCLSA-N -1 3 384.910 3.044 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)cc1F ZINC000122368790 564410734 /nfs/dbraw/zinc/41/07/34/564410734.db2.gz WXNCMBCNRVLQHP-UHFFFAOYSA-N -1 3 386.367 3.270 20 0 GGADHM CCCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000122432544 564413849 /nfs/dbraw/zinc/41/38/49/564413849.db2.gz HLJVZLBPPADOCO-UHFFFAOYSA-N -1 3 394.269 3.338 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccs1 ZINC000036079592 564416071 /nfs/dbraw/zinc/41/60/71/564416071.db2.gz XABWCJFNEOLSCJ-SECBINFHSA-N -1 3 395.369 3.153 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1cccs1 ZINC000036622088 564417785 /nfs/dbraw/zinc/41/77/85/564417785.db2.gz KJLKOGZVMISTDK-LRDDRELGSA-N -1 3 384.498 3.068 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1cccc(Cl)c1Cl ZINC000036723240 564418354 /nfs/dbraw/zinc/41/83/54/564418354.db2.gz PIGPDOXMGGGROM-UHFFFAOYSA-N -1 3 388.272 3.286 20 0 GGADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000036664230 564418518 /nfs/dbraw/zinc/41/85/18/564418518.db2.gz SZGQFYHLMDSHAD-HNNXBMFYSA-N -1 3 375.266 3.159 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Br)s2)ccc1F ZINC000040217363 564426992 /nfs/dbraw/zinc/42/69/92/564426992.db2.gz TXJFAYXPEOMTQQ-UHFFFAOYSA-N -1 3 393.259 3.274 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)cc1F ZINC000122802031 564428030 /nfs/dbraw/zinc/42/80/30/564428030.db2.gz TWXOGLPOXSRIRD-UHFFFAOYSA-N -1 3 381.429 3.270 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000040614356 564428345 /nfs/dbraw/zinc/42/83/45/564428345.db2.gz RYOUXCTWOQLFOX-CQSZACIVSA-N -1 3 384.885 3.057 20 0 GGADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000040446072 564428361 /nfs/dbraw/zinc/42/83/61/564428361.db2.gz MXGZGMIBSFWSFN-SNVBAGLBSA-N -1 3 376.247 3.481 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc(O)c1 ZINC000122982786 564434068 /nfs/dbraw/zinc/43/40/68/564434068.db2.gz KHPWJSARSVRTOR-UHFFFAOYSA-N -1 3 389.260 3.006 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc2c1OCOC2)c1ccc(F)cc1Cl ZINC000041629899 564435912 /nfs/dbraw/zinc/43/59/12/564435912.db2.gz UADAFDWLIHIFMF-UHFFFAOYSA-N -1 3 389.807 3.006 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1CCCCC1 ZINC000041778184 564436710 /nfs/dbraw/zinc/43/67/10/564436710.db2.gz AGDWEDQZEUVMIL-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)cc1Cl ZINC000042005201 564440183 /nfs/dbraw/zinc/44/01/83/564440183.db2.gz DTXCCSOVUFKPBS-UHFFFAOYSA-N -1 3 384.841 3.116 20 0 GGADHM CCC[C@@H](C)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000042077311 564440936 /nfs/dbraw/zinc/44/09/36/564440936.db2.gz DLFHSYYXPCUUPU-NEPJUHHUSA-N -1 3 380.432 3.019 20 0 GGADHM CCC[C@@H](C)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000042077306 564440976 /nfs/dbraw/zinc/44/09/76/564440976.db2.gz DLFHSYYXPCUUPU-VXGBXAGGSA-N -1 3 380.432 3.019 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cc2c(c(Br)c1)OCO2 ZINC000123361951 564445937 /nfs/dbraw/zinc/44/59/37/564445937.db2.gz GEZDXRATOQFPAN-UHFFFAOYSA-N -1 3 398.640 3.396 20 0 GGADHM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2C1=O ZINC000042622948 564448132 /nfs/dbraw/zinc/44/81/32/564448132.db2.gz ROGFDYOYCKKKIN-UHFFFAOYSA-N -1 3 385.228 3.020 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000123405457 564448292 /nfs/dbraw/zinc/44/82/92/564448292.db2.gz JSFASYBQWZAMFZ-GDBMZVCRSA-N -1 3 380.535 3.088 20 0 GGADHM C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000042570341 564448372 /nfs/dbraw/zinc/44/83/72/564448372.db2.gz RMFGWQISXNGAMT-JTQLQIEISA-N -1 3 383.495 3.102 20 0 GGADHM Cc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c(Br)c1 ZINC000123507218 564450408 /nfs/dbraw/zinc/45/04/08/564450408.db2.gz HUIJHYKWEMBDDU-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)c(Cl)c2)CC1)c1cccs1 ZINC000123624121 564455748 /nfs/dbraw/zinc/45/57/48/564455748.db2.gz DOCDOJSCSBXHKJ-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)s1 ZINC000123720040 564459441 /nfs/dbraw/zinc/45/94/41/564459441.db2.gz SNQYDEPDGOAIJM-UHFFFAOYSA-N -1 3 398.326 3.472 20 0 GGADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F ZINC000123776614 564461337 /nfs/dbraw/zinc/46/13/37/564461337.db2.gz OLGBMIVSZNZZGG-UHFFFAOYSA-N -1 3 392.861 3.042 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000123861670 564464307 /nfs/dbraw/zinc/46/43/07/564464307.db2.gz WIVCLHJVRATJSF-UHFFFAOYSA-N -1 3 378.410 3.230 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000123868241 564464341 /nfs/dbraw/zinc/46/43/41/564464341.db2.gz YRXBSHQWOOYYFN-UHFFFAOYSA-N -1 3 384.860 3.100 20 0 GGADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000044260054 564465182 /nfs/dbraw/zinc/46/51/82/564465182.db2.gz WKRUMHIRHNDPMW-UHFFFAOYSA-N -1 3 387.230 3.347 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccs1 ZINC000044327003 564466970 /nfs/dbraw/zinc/46/69/70/564466970.db2.gz XAPHMRCSCJKLSJ-NSHDSACASA-N -1 3 377.846 3.123 20 0 GGADHM O=C(Nc1ccccn1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000124027011 564469179 /nfs/dbraw/zinc/46/91/79/564469179.db2.gz DANAHBJERHWONR-UHFFFAOYSA-N -1 3 379.507 3.397 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000124093482 564471171 /nfs/dbraw/zinc/47/11/71/564471171.db2.gz DNDYOJAOYOQWKE-WDEREUQCSA-N -1 3 382.379 3.048 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)sc1Br ZINC000124160612 564472923 /nfs/dbraw/zinc/47/29/23/564472923.db2.gz MEEJPCCYTARBBM-NSHDSACASA-N -1 3 384.361 3.142 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000044894991 564474838 /nfs/dbraw/zinc/47/48/38/564474838.db2.gz CUANCTOOJHMJIM-UHFFFAOYSA-N -1 3 385.482 3.328 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@H]1CCN(c2ccccc2Br)C1=O ZINC000045012336 564475919 /nfs/dbraw/zinc/47/59/19/564475919.db2.gz PBUZNOUFXONAJC-LLVKDONJSA-N -1 3 375.222 3.146 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000124260517 564476682 /nfs/dbraw/zinc/47/66/82/564476682.db2.gz SHHPHCPWAHLLEK-UHFFFAOYSA-N -1 3 382.295 3.055 20 0 GGADHM Cc1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1C ZINC000124283212 564477646 /nfs/dbraw/zinc/47/76/46/564477646.db2.gz ZNYOQUCVZBUQMJ-OAHLLOKOSA-N -1 3 379.865 3.263 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1nc(N2CCCC2)ncc1Cl ZINC000124314640 564477669 /nfs/dbraw/zinc/47/76/69/564477669.db2.gz QIYSATQTWRYRBU-UHFFFAOYSA-N -1 3 397.660 3.451 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000124294239 564477914 /nfs/dbraw/zinc/47/79/14/564477914.db2.gz WQIGEYVXEWEXSD-UHFFFAOYSA-N -1 3 384.325 3.469 20 0 GGADHM CC(C)CCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000124466355 564482435 /nfs/dbraw/zinc/48/24/35/564482435.db2.gz IWJFATBJMRGYLO-UHFFFAOYSA-N -1 3 386.564 3.454 20 0 GGADHM Cc1nc2ccc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)cc2s1 ZINC000124690281 564489455 /nfs/dbraw/zinc/48/94/55/564489455.db2.gz ZOOQJCVGKJCISF-UHFFFAOYSA-N -1 3 379.438 3.368 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccsc1 ZINC000045809679 564489501 /nfs/dbraw/zinc/48/95/01/564489501.db2.gz VKFXEADQXBUCET-ZDUSSCGKSA-N -1 3 378.441 3.348 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c2ccccc2)c1 ZINC000124716063 564490339 /nfs/dbraw/zinc/49/03/39/564490339.db2.gz NLCLKOLYKFLIEU-DZGCQCFKSA-N -1 3 383.897 3.182 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000045816224 564490962 /nfs/dbraw/zinc/49/09/62/564490962.db2.gz HGNDSAIMMRKYEB-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000124757749 564491633 /nfs/dbraw/zinc/49/16/33/564491633.db2.gz SZRAVDISVZVSAD-UHFFFAOYSA-N -1 3 388.823 3.262 20 0 GGADHM Cc1ccc(Br)cc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000124813696 564494034 /nfs/dbraw/zinc/49/40/34/564494034.db2.gz SYPMMWLBLJJGDS-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM O=S(=O)([N-]C1CC=CC1)c1cc(Br)ccc1Br ZINC000125052874 564502093 /nfs/dbraw/zinc/50/20/93/564502093.db2.gz RGBQDLAVGUKEHX-UHFFFAOYSA-N -1 3 381.089 3.209 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000046409109 564502437 /nfs/dbraw/zinc/50/24/37/564502437.db2.gz RPHQOVDBFMVJDN-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)NC(=O)[N-]C1=O ZINC000046409101 564502918 /nfs/dbraw/zinc/50/29/18/564502918.db2.gz GHDPXJICEBVFPB-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C ZINC000046623674 564504694 /nfs/dbraw/zinc/50/46/94/564504694.db2.gz HDCFFPGXHWSOSY-UHFFFAOYSA-N -1 3 375.368 3.238 20 0 GGADHM Cc1cc(Br)cc(C)c1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000125191158 564506384 /nfs/dbraw/zinc/50/63/84/564506384.db2.gz KSUVBLKHHSXFJC-UHFFFAOYSA-N -1 3 378.270 3.337 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000046869402 564509279 /nfs/dbraw/zinc/50/92/79/564509279.db2.gz BVQUSVDKPDOIGU-UHFFFAOYSA-N -1 3 392.786 3.276 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)N(C)C)c1 ZINC000047032895 564511686 /nfs/dbraw/zinc/51/16/86/564511686.db2.gz VATGKHXEUZKGNQ-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCC1 ZINC000125368824 564512226 /nfs/dbraw/zinc/51/22/26/564512226.db2.gz YSULGCONFKRNSX-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000125376372 564512792 /nfs/dbraw/zinc/51/27/92/564512792.db2.gz GNBXFJSZULZXMO-CYBMUJFWSA-N -1 3 380.535 3.029 20 0 GGADHM CCc1sc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])cc1C ZINC000047277405 564517203 /nfs/dbraw/zinc/51/72/03/564517203.db2.gz XBTUIZQTWJFDNU-UHFFFAOYSA-N -1 3 380.491 3.117 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ncccc2C(F)(F)F)CC1)c1cccs1 ZINC000047510333 564521779 /nfs/dbraw/zinc/52/17/79/564521779.db2.gz UYMVLLNNLGEFQC-UHFFFAOYSA-N -1 3 391.440 3.109 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCCc3cc(Br)ccc32)c(=O)[n-]1 ZINC000125671984 564522908 /nfs/dbraw/zinc/52/29/08/564522908.db2.gz KHLZDNDBGPUWII-UHFFFAOYSA-N -1 3 390.281 3.061 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2ncc(-c3cccc(Br)c3)o2)[n-]1 ZINC000125697044 564523463 /nfs/dbraw/zinc/52/34/63/564523463.db2.gz WDSHNSUXZGSPCH-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2ncc(-c3cccc(Br)c3)o2)n1 ZINC000125697044 564523466 /nfs/dbraw/zinc/52/34/66/564523466.db2.gz WDSHNSUXZGSPCH-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000125829187 564527716 /nfs/dbraw/zinc/52/77/16/564527716.db2.gz YVACYKQFLDZARU-BONVTDFDSA-N -1 3 383.466 3.276 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000047910805 564527979 /nfs/dbraw/zinc/52/79/79/564527979.db2.gz LHHBVYKMNATKEU-RYUDHWBXSA-N -1 3 378.475 3.039 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000047910806 564528377 /nfs/dbraw/zinc/52/83/77/564528377.db2.gz LHHBVYKMNATKEU-NEPJUHHUSA-N -1 3 378.475 3.039 20 0 GGADHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000047991952 564529622 /nfs/dbraw/zinc/52/96/22/564529622.db2.gz IJRVDWJXZOALQI-UHFFFAOYSA-N -1 3 395.289 3.166 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)NC(=O)[N-]C1=O ZINC000048167821 564532397 /nfs/dbraw/zinc/53/23/97/564532397.db2.gz NOTBTWLVVGDTKX-HNNXBMFYSA-N -1 3 384.244 3.362 20 0 GGADHM Cc1ccccc1[C@H](CC(=O)Nc1ccc(Br)cc1[O-])NC(N)=O ZINC000126040443 564534724 /nfs/dbraw/zinc/53/47/24/564534724.db2.gz GVNKEQQMBNCWAO-AWEZNQCLSA-N -1 3 392.253 3.201 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN1C(=O)c1cccs1 ZINC000126042321 564534994 /nfs/dbraw/zinc/53/49/94/564534994.db2.gz CDCSYBFWNULYRG-LBPRGKRZSA-N -1 3 395.278 3.460 20 0 GGADHM C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1sccc1Br ZINC000048444174 564540335 /nfs/dbraw/zinc/54/03/35/564540335.db2.gz JCRWXQBYVVTQOW-NSHDSACASA-N -1 3 381.361 3.053 20 0 GGADHM CN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126156558 564539035 /nfs/dbraw/zinc/53/90/35/564539035.db2.gz YREVCGKRXRACCR-UHFFFAOYSA-N -1 3 393.237 3.225 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2CCC(C(C)C)CC2)s1 ZINC000126145561 564539084 /nfs/dbraw/zinc/53/90/84/564539084.db2.gz KAHCSGRFKVGWDP-UHFFFAOYSA-N -1 3 386.583 3.167 20 0 GGADHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000048445559 564540136 /nfs/dbraw/zinc/54/01/36/564540136.db2.gz OWTXNMNFXABKAZ-UHFFFAOYSA-N -1 3 381.361 3.052 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Br)c1ccccc1 ZINC000048443484 564540492 /nfs/dbraw/zinc/54/04/92/564540492.db2.gz ITYYTDWFRAZAEY-ZDUSSCGKSA-N -1 3 389.340 3.092 20 0 GGADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000048445133 564540535 /nfs/dbraw/zinc/54/05/35/564540535.db2.gz MEXJNFLDZOSOOU-UHFFFAOYSA-N -1 3 391.312 3.171 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CN1C1CC1 ZINC000126250303 564541714 /nfs/dbraw/zinc/54/17/14/564541714.db2.gz ATECTYNDZVLCOZ-KOLCDFICSA-N -1 3 393.734 3.006 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1sccc1Br ZINC000048687126 564543782 /nfs/dbraw/zinc/54/37/82/564543782.db2.gz OGWGBZAVGDKMHI-UHFFFAOYSA-N -1 3 375.269 3.134 20 0 GGADHM O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1cc(Br)ccc1[O-] ZINC000126450927 564549507 /nfs/dbraw/zinc/54/95/07/564549507.db2.gz PWCAJEAVYPDOAW-UHFFFAOYSA-N -1 3 388.221 3.005 20 0 GGADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000049239443 564549718 /nfs/dbraw/zinc/54/97/18/564549718.db2.gz YYQHGLWVEPXTBN-JGVFFNPUSA-N -1 3 383.105 3.146 20 0 GGADHM CCSc1nnc(NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000482767525 564549868 /nfs/dbraw/zinc/54/98/68/564549868.db2.gz BINSBZYCUDYXCP-UHFFFAOYSA-N -1 3 389.300 3.440 20 0 GGADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1NS(C)(=O)=O ZINC000126458949 564550334 /nfs/dbraw/zinc/55/03/34/564550334.db2.gz IWVIJTMRDIJHLU-UHFFFAOYSA-N -1 3 399.266 3.087 20 0 GGADHM O=S(=O)([N-]CCCOc1ccccc1)c1ccc(Br)s1 ZINC000049538248 564552504 /nfs/dbraw/zinc/55/25/04/564552504.db2.gz NXJLEDTXUMDTCT-UHFFFAOYSA-N -1 3 376.297 3.258 20 0 GGADHM Cc1nc([N-]C(=O)c2ccc(COc3cccc(Br)c3)o2)nn1C ZINC000518412656 564553288 /nfs/dbraw/zinc/55/32/88/564553288.db2.gz MUTIBLAPLIWJJZ-UHFFFAOYSA-N -1 3 391.225 3.310 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000049704159 564553412 /nfs/dbraw/zinc/55/34/12/564553412.db2.gz MMYDUEGLXVDLSC-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cc(Br)ccc2OC(C)C)c(=O)[n-]1 ZINC000126592541 564554061 /nfs/dbraw/zinc/55/40/61/564554061.db2.gz UKFSNRZRRMKGKD-UHFFFAOYSA-N -1 3 394.269 3.118 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2cccs2)cc1OC ZINC000050040542 564554965 /nfs/dbraw/zinc/55/49/65/564554965.db2.gz DFRPACLFNRKTND-LLVKDONJSA-N -1 3 383.495 3.401 20 0 GGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000126608216 564555390 /nfs/dbraw/zinc/55/53/90/564555390.db2.gz VVZSMVCFGZEDFG-GFCCVEGCSA-N -1 3 398.301 3.171 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1ccc(F)cc1Br ZINC000050197923 564557238 /nfs/dbraw/zinc/55/72/38/564557238.db2.gz XIPFBOJPFHFUGE-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000126689571 564557834 /nfs/dbraw/zinc/55/78/34/564557834.db2.gz QAQCBPZVOWRURW-CYBMUJFWSA-N -1 3 389.249 3.142 20 0 GGADHM Cc1nc(C)c(CC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000050809431 564561044 /nfs/dbraw/zinc/56/10/44/564561044.db2.gz HXHNLTLVXNDQPS-UHFFFAOYSA-N -1 3 382.291 3.330 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1C ZINC000052025305 564568260 /nfs/dbraw/zinc/56/82/60/564568260.db2.gz HJCWJKFPQSETJD-UHFFFAOYSA-N -1 3 381.519 3.427 20 0 GGADHM O=S(=O)(Cc1csc(Cc2ccc(Cl)cc2)n1)c1nc(C2CC2)n[n-]1 ZINC000127148029 564575389 /nfs/dbraw/zinc/57/53/89/564575389.db2.gz ZHFZZCZRDLVTJZ-UHFFFAOYSA-N -1 3 394.909 3.357 20 0 GGADHM O=S(=O)(Cc1csc(Cc2ccc(Cl)cc2)n1)c1nnc(C2CC2)[n-]1 ZINC000127148029 564575393 /nfs/dbraw/zinc/57/53/93/564575393.db2.gz ZHFZZCZRDLVTJZ-UHFFFAOYSA-N -1 3 394.909 3.357 20 0 GGADHM Cn1ncc2c1nc(CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[n-]c2=O ZINC000052830044 564577795 /nfs/dbraw/zinc/57/77/95/564577795.db2.gz RBGJCYBIPBTAAB-CQSZACIVSA-N -1 3 378.263 3.301 20 0 GGADHM CSc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000127249698 564577990 /nfs/dbraw/zinc/57/79/90/564577990.db2.gz VTMKWKOMPSXIFB-UHFFFAOYSA-N -1 3 388.308 3.355 20 0 GGADHM C[C@H](CS(=O)(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000127281120 564578926 /nfs/dbraw/zinc/57/89/26/564578926.db2.gz WXFWVDRQNRIEDK-GFCCVEGCSA-N -1 3 384.295 3.378 20 0 GGADHM Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1N(C)C ZINC000127266453 564579096 /nfs/dbraw/zinc/57/90/96/564579096.db2.gz KEJVORIKSGVTAK-UHFFFAOYSA-N -1 3 399.310 3.008 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc2cnccc21 ZINC000127261800 564579104 /nfs/dbraw/zinc/57/91/04/564579104.db2.gz ZJLRMHCDCCFZSM-UHFFFAOYSA-N -1 3 393.262 3.181 20 0 GGADHM Cn1c(Cl)cnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000053019454 564581314 /nfs/dbraw/zinc/58/13/14/564581314.db2.gz AFFHHPSANDAJHK-UHFFFAOYSA-N -1 3 383.279 3.283 20 0 GGADHM C[C@@]1(c2cccc(NC(=O)CCc3ccc(Cl)s3)c2)NC(=O)[N-]C1=O ZINC000053284871 564585174 /nfs/dbraw/zinc/58/51/74/564585174.db2.gz RXXBZYPUIWRDOT-KRWDZBQOSA-N -1 3 377.853 3.027 20 0 GGADHM CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000053332488 564586300 /nfs/dbraw/zinc/58/63/00/564586300.db2.gz OKXKHPMXEOYYGS-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127709945 564592674 /nfs/dbraw/zinc/59/26/74/564592674.db2.gz NHLLYZFQUOBXMB-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Nc1ccc(Cl)cc1 ZINC000053671756 564592837 /nfs/dbraw/zinc/59/28/37/564592837.db2.gz PJPLWPMSLWDNKO-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1ncccc1[O-] ZINC000053762522 564594778 /nfs/dbraw/zinc/59/47/78/564594778.db2.gz OSUNUTXAZQLXBE-UHFFFAOYSA-N -1 3 395.238 3.233 20 0 GGADHM CC(C)(C)c1nc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000127815331 564597474 /nfs/dbraw/zinc/59/74/74/564597474.db2.gz JDSKELHGZGDFAV-UHFFFAOYSA-N -1 3 393.987 3.224 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(F)cc2cccnc21)c1ccc(Cl)s1 ZINC000127887799 564600044 /nfs/dbraw/zinc/60/00/44/564600044.db2.gz XQSALWVASMMADK-UHFFFAOYSA-N -1 3 399.900 3.157 20 0 GGADHM O=C(NCc1ccc(F)cc1Br)c1c[n-]c2ccccc2c1=O ZINC000054263582 564602469 /nfs/dbraw/zinc/60/24/69/564602469.db2.gz OFEGGVJNYAUVQB-UHFFFAOYSA-N -1 3 375.197 3.360 20 0 GGADHM O=c1[n-]c(SCc2nc(-c3c(F)cccc3F)cs2)nc2[nH]ncc21 ZINC000128004407 564603372 /nfs/dbraw/zinc/60/33/72/564603372.db2.gz YPKWTCKITIIFCG-UHFFFAOYSA-N -1 3 377.401 3.340 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000128231093 564611367 /nfs/dbraw/zinc/61/13/67/564611367.db2.gz XIWLYSVKXRXBGW-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1ccc(Br)cc1-n1cncn1 ZINC000128330159 564615448 /nfs/dbraw/zinc/61/54/48/564615448.db2.gz OHMTZNVANJDCRW-UHFFFAOYSA-N -1 3 377.173 3.127 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(F)cc(C(F)(F)F)c2)s1 ZINC000128356697 564615962 /nfs/dbraw/zinc/61/59/62/564615962.db2.gz DSWKICDMRLRQRZ-UHFFFAOYSA-N -1 3 377.319 3.054 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)N1CCCCC1 ZINC000055235415 564617678 /nfs/dbraw/zinc/61/76/78/564617678.db2.gz VHRJCBMVUORRRF-UHFFFAOYSA-N -1 3 393.322 3.131 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000128417704 564618005 /nfs/dbraw/zinc/61/80/05/564618005.db2.gz SVDWBHNWZUUJAD-INIZCTEOSA-N -1 3 377.853 3.408 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000055276805 564618183 /nfs/dbraw/zinc/61/81/83/564618183.db2.gz HEXZQTKIWKPYGO-UHFFFAOYSA-N -1 3 390.908 3.185 20 0 GGADHM C[C@H]1CCCC[C@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CSCC3 ZINC000055503787 564622253 /nfs/dbraw/zinc/62/22/53/564622253.db2.gz VBDUQYCUBMRFFP-CMPLNLGQSA-N -1 3 377.535 3.011 20 0 GGADHM C[C@H]1CCCC[C@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000055502742 564622508 /nfs/dbraw/zinc/62/25/08/564622508.db2.gz UHIYIPAGEQAFJE-CMPLNLGQSA-N -1 3 377.535 3.260 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CSCC3 ZINC000055503784 564622738 /nfs/dbraw/zinc/62/27/38/564622738.db2.gz VBDUQYCUBMRFFP-PWSUYJOCSA-N -1 3 377.535 3.011 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cc1 ZINC000055547712 564623343 /nfs/dbraw/zinc/62/33/43/564623343.db2.gz BSHIAJCMMMEOLR-UHFFFAOYSA-N -1 3 382.507 3.093 20 0 GGADHM CN(C)C(=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000128657645 564624410 /nfs/dbraw/zinc/62/44/10/564624410.db2.gz PVHAVBXOVGGPOW-UHFFFAOYSA-N -1 3 387.288 3.174 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000055619268 564626041 /nfs/dbraw/zinc/62/60/41/564626041.db2.gz JXFKDCPVPQSEKB-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)cc1Cl ZINC000055632969 564627702 /nfs/dbraw/zinc/62/77/02/564627702.db2.gz ODEBYMPQBYPLMT-UHFFFAOYSA-N -1 3 385.825 3.032 20 0 GGADHM O=S(=O)([N-]CCNc1nc(C(F)(F)F)cs1)c1ccc(Cl)s1 ZINC000128747195 564628403 /nfs/dbraw/zinc/62/84/03/564628403.db2.gz BRSKYQIWDLTSOU-UHFFFAOYSA-N -1 3 391.849 3.267 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000128780217 564629478 /nfs/dbraw/zinc/62/94/78/564629478.db2.gz QRRDSMZJRKWJDI-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM COc1cc(C(=O)N2CCc3c(Br)cccc3C2)cc(OC)c1[O-] ZINC000128981271 564635039 /nfs/dbraw/zinc/63/50/39/564635039.db2.gz SKMBYVRERUHXFE-UHFFFAOYSA-N -1 3 392.249 3.370 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000129053630 564637209 /nfs/dbraw/zinc/63/72/09/564637209.db2.gz ZLMMEJKTJMJOGV-JTQLQIEISA-N -1 3 392.424 3.158 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1cccc(Cl)c1Cl ZINC000056060316 564638338 /nfs/dbraw/zinc/63/83/38/564638338.db2.gz QQVPOTHIVDDCLQ-UHFFFAOYSA-N -1 3 386.304 3.336 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1Cl ZINC000056060299 564638495 /nfs/dbraw/zinc/63/84/95/564638495.db2.gz XXAZAJRPIWSWTQ-UHFFFAOYSA-N -1 3 386.304 3.336 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Cl ZINC000129126264 564638822 /nfs/dbraw/zinc/63/88/22/564638822.db2.gz WZIOINQFXGMRES-WQAKAFBOSA-N -1 3 380.293 3.238 20 0 GGADHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000056062188 564638819 /nfs/dbraw/zinc/63/88/19/564638819.db2.gz BMAXJVWWBPJRTF-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)s1 ZINC000056051219 564638848 /nfs/dbraw/zinc/63/88/48/564638848.db2.gz HAOUVIYZLKDYMO-KRWDZBQOSA-N -1 3 380.535 3.450 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1cccc(Cl)c1F ZINC000056071101 564639797 /nfs/dbraw/zinc/63/97/97/564639797.db2.gz XEKQWJUGAXQNFJ-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000129151108 564639875 /nfs/dbraw/zinc/63/98/75/564639875.db2.gz MLEDARIYNYWHEM-HNNXBMFYSA-N -1 3 379.400 3.247 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c(Cl)c1Cl ZINC000129131795 564639991 /nfs/dbraw/zinc/63/99/91/564639991.db2.gz IOUSSDHQXDKVEN-GMTAPVOTSA-N -1 3 380.293 3.238 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1csc(C)n1 ZINC000056090275 564640553 /nfs/dbraw/zinc/64/05/53/564640553.db2.gz NYHXUCRMTZTBNO-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM O=C(NC1CC1)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000056075728 564640773 /nfs/dbraw/zinc/64/07/73/564640773.db2.gz SWFRBKUHTXWHFE-UHFFFAOYSA-N -1 3 399.299 3.364 20 0 GGADHM CC(C)c1ccc(CN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056115963 564642115 /nfs/dbraw/zinc/64/21/15/564642115.db2.gz RTBBERBXOWRSCA-CQSZACIVSA-N -1 3 380.535 3.197 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Br)ccc1Cl ZINC000129302457 564644393 /nfs/dbraw/zinc/64/43/93/564644393.db2.gz KEFLHYBMRLVBRO-RAIGVLPGSA-N -1 3 394.718 3.338 20 0 GGADHM CC[C@@H](C)Oc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056302237 564645344 /nfs/dbraw/zinc/64/53/44/564645344.db2.gz IKXXZNMOZGOKRK-OLZOCXBDSA-N -1 3 382.507 3.231 20 0 GGADHM CCOc1cc(Br)c([N-]C(=O)c2cccc[n+]2[O-])cc1OCC ZINC000056314435 564646006 /nfs/dbraw/zinc/64/60/06/564646006.db2.gz LEYVRJUVSOMIRX-UHFFFAOYSA-N -1 3 381.226 3.132 20 0 GGADHM CC[C@H](C)Oc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056302238 564646630 /nfs/dbraw/zinc/64/66/30/564646630.db2.gz IKXXZNMOZGOKRK-STQMWFEESA-N -1 3 382.507 3.231 20 0 GGADHM Cc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000129370053 564646849 /nfs/dbraw/zinc/64/68/49/564646849.db2.gz KXHOWJKXARDTRY-JTQLQIEISA-N -1 3 392.424 3.381 20 0 GGADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)cc1I ZINC000129389809 564647304 /nfs/dbraw/zinc/64/73/04/564647304.db2.gz XSUNEGAEASIGFB-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000056409747 564647870 /nfs/dbraw/zinc/64/78/70/564647870.db2.gz IPJAEYBLMIKEMR-GFCCVEGCSA-N -1 3 382.869 3.426 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)cc(Br)c1 ZINC000056409395 564648052 /nfs/dbraw/zinc/64/80/52/564648052.db2.gz VRFOFXOCGZZPAV-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000056497989 564649798 /nfs/dbraw/zinc/64/97/98/564649798.db2.gz ZPBFLRCTFQAVBH-CQSZACIVSA-N -1 3 389.807 3.201 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000056498060 564650043 /nfs/dbraw/zinc/65/00/43/564650043.db2.gz GFULFHLZHSQWLH-CQSZACIVSA-N -1 3 389.807 3.201 20 0 GGADHM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000129478360 564650609 /nfs/dbraw/zinc/65/06/09/564650609.db2.gz BCTGKEVDINKNGR-UHFFFAOYSA-N -1 3 399.266 3.115 20 0 GGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000129536656 564652003 /nfs/dbraw/zinc/65/20/03/564652003.db2.gz SMTAVBUJOLWZEU-MRXNPFEDSA-N -1 3 386.876 3.329 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(C)ccc32)s1 ZINC000057019840 564657065 /nfs/dbraw/zinc/65/70/65/564657065.db2.gz JVRNEUOILFSMGY-BLLLJJGKSA-N -1 3 378.519 3.219 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(C)ccc32)s1 ZINC000057019838 564657165 /nfs/dbraw/zinc/65/71/65/564657165.db2.gz JVRNEUOILFSMGY-MLGOLLRUSA-N -1 3 378.519 3.219 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)s1 ZINC000057019634 564657263 /nfs/dbraw/zinc/65/72/63/564657263.db2.gz NQMSVDQEKKBNJC-MEBBXXQBSA-N -1 3 382.482 3.050 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)s1 ZINC000057019636 564657348 /nfs/dbraw/zinc/65/73/48/564657348.db2.gz NQMSVDQEKKBNJC-BMIGLBTASA-N -1 3 382.482 3.050 20 0 GGADHM Cc1ccc(Br)c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000129737199 564658324 /nfs/dbraw/zinc/65/83/24/564658324.db2.gz OCUBNHMBAIKNEN-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM CC[C@H](C)Oc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000057070474 564659872 /nfs/dbraw/zinc/65/98/72/564659872.db2.gz BXZGFTPRBDNUHM-ZDUSSCGKSA-N -1 3 382.507 3.233 20 0 GGADHM COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000057119169 564660667 /nfs/dbraw/zinc/66/06/67/564660667.db2.gz YSVBREYJFWHQLP-UHFFFAOYSA-N -1 3 382.869 3.288 20 0 GGADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])cnn1C1CCOCC1 ZINC000129870836 564663074 /nfs/dbraw/zinc/66/30/74/564663074.db2.gz YXZGTNSVQCMRKX-UHFFFAOYSA-N -1 3 380.242 3.263 20 0 GGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000129835439 564663156 /nfs/dbraw/zinc/66/31/56/564663156.db2.gz PWPLLBRUDURZDB-GFCCVEGCSA-N -1 3 382.507 3.191 20 0 GGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000129835640 564663162 /nfs/dbraw/zinc/66/31/62/564663162.db2.gz PWPLLBRUDURZDB-LBPRGKRZSA-N -1 3 382.507 3.191 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3cccs3)n2)n1C[C@H]1CCCO1 ZINC000057481024 564668782 /nfs/dbraw/zinc/66/87/82/564668782.db2.gz KXXXRCYHPGTJFR-LLVKDONJSA-N -1 3 380.520 3.228 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)cc(C)c2[O-])no1 ZINC000523942167 564674701 /nfs/dbraw/zinc/67/47/01/564674701.db2.gz XSDMTQHQBUBSPQ-SNVBAGLBSA-N -1 3 383.857 3.349 20 0 GGADHM CC(C)c1cc(Sc2nnc([N-]CC(F)(F)F)s2)n2ncnc2n1 ZINC000057829477 564675652 /nfs/dbraw/zinc/67/56/52/564675652.db2.gz SUJNSFIJQJFGOS-UHFFFAOYSA-N -1 3 375.405 3.225 20 0 GGADHM O=C(NCCNc1ncc(Cl)cc1Cl)c1c[n-]c2ccccc2c1=O ZINC000058350858 564682015 /nfs/dbraw/zinc/68/20/15/564682015.db2.gz JRTMLGIMDVROQF-UHFFFAOYSA-N -1 3 377.231 3.072 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1F ZINC000058315734 564682230 /nfs/dbraw/zinc/68/22/30/564682230.db2.gz HDDRLWVPSIMPAJ-UHFFFAOYSA-N -1 3 382.888 3.422 20 0 GGADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccc2c(c1)OCCO2 ZINC000130498830 564683808 /nfs/dbraw/zinc/68/38/08/564683808.db2.gz GDFQEUJXUMAFLL-UHFFFAOYSA-N -1 3 388.214 3.160 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1OC ZINC000130492596 564683932 /nfs/dbraw/zinc/68/39/32/564683932.db2.gz VHYNETQOQWIIDJ-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM CNC(=O)c1sc2[n-]c(-c3cc(F)ccc3Br)nc(=O)c2c1C ZINC000058477899 564684571 /nfs/dbraw/zinc/68/45/71/564684571.db2.gz VHNVYKFIMWXCFR-UHFFFAOYSA-N -1 3 396.241 3.221 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000130623983 564687933 /nfs/dbraw/zinc/68/79/33/564687933.db2.gz XJXLFAJSWGSYNU-MWLCHTKSSA-N -1 3 383.363 3.012 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)COc1ccc(Cl)cc1Cl ZINC000058762508 564688830 /nfs/dbraw/zinc/68/88/30/564688830.db2.gz UYUDAKYDXBWXAQ-UHFFFAOYSA-N -1 3 376.221 3.039 20 0 GGADHM O=c1[n-]c(-c2cnc(NCC(F)F)cn2)nc2sc3c(c21)CCSC3 ZINC000487501451 564689623 /nfs/dbraw/zinc/68/96/23/564689623.db2.gz MCTKQGRFLASDQG-UHFFFAOYSA-N -1 3 381.433 3.320 20 0 GGADHM C[C@H](NC(=O)c1c[n-]nn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000130772172 564691555 /nfs/dbraw/zinc/69/15/55/564691555.db2.gz RMRKSBUPMXZLBA-QMMMGPOBSA-N -1 3 378.255 3.182 20 0 GGADHM C[C@H](NC(=O)c1cnn[n-]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000130772172 564691559 /nfs/dbraw/zinc/69/15/59/564691559.db2.gz RMRKSBUPMXZLBA-QMMMGPOBSA-N -1 3 378.255 3.182 20 0 GGADHM C[C@H](NC(=O)c1cn[n-]n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000130772172 564691562 /nfs/dbraw/zinc/69/15/62/564691562.db2.gz RMRKSBUPMXZLBA-QMMMGPOBSA-N -1 3 378.255 3.182 20 0 GGADHM C[C@H](SCCS(C)(=O)=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000059932855 564693762 /nfs/dbraw/zinc/69/37/62/564693762.db2.gz PMCSFAAJFUKZLJ-VIFPVBQESA-N -1 3 384.504 3.083 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000060093458 564694826 /nfs/dbraw/zinc/69/48/26/564694826.db2.gz GXVQRCDXBSTSND-UHFFFAOYSA-N -1 3 382.869 3.327 20 0 GGADHM CS[C@@H](C)CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000130855547 564695095 /nfs/dbraw/zinc/69/50/95/564695095.db2.gz FWDGLLXYIXSUTN-LBPRGKRZSA-N -1 3 390.596 3.231 20 0 GGADHM COCc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000130893139 564695885 /nfs/dbraw/zinc/69/58/85/564695885.db2.gz VVIJCTNWWDIQED-UHFFFAOYSA-N -1 3 388.258 3.213 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000131009506 564698519 /nfs/dbraw/zinc/69/85/19/564698519.db2.gz XBSANZKSEYWKEW-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000131051373 564699530 /nfs/dbraw/zinc/69/95/30/564699530.db2.gz YEDPSUCEYWJEDH-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)s1 ZINC000061035917 564704075 /nfs/dbraw/zinc/70/40/75/564704075.db2.gz FFTRAEKUHOAAFT-LLVKDONJSA-N -1 3 378.475 3.170 20 0 GGADHM C[C@@H](SCC1(CO)COC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000131206756 564704548 /nfs/dbraw/zinc/70/45/48/564704548.db2.gz VBRJCYNXMLENLW-SNVBAGLBSA-N -1 3 378.475 3.048 20 0 GGADHM CC(C)Oc1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000131443107 564712219 /nfs/dbraw/zinc/71/22/19/564712219.db2.gz ODXCMBSQXSBBKR-UHFFFAOYSA-N -1 3 394.269 3.336 20 0 GGADHM CCCN(CC1CCCCC1)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000062646546 564712431 /nfs/dbraw/zinc/71/24/31/564712431.db2.gz WNJNRBDFFSNTRF-UHFFFAOYSA-N -1 3 387.571 3.158 20 0 GGADHM COCc1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)s1 ZINC000131556839 564715964 /nfs/dbraw/zinc/71/59/64/564715964.db2.gz ZAHUCDDMGLRGHV-UHFFFAOYSA-N -1 3 378.454 3.432 20 0 GGADHM CCc1ccc([C@H](COC)NC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000131541898 564715967 /nfs/dbraw/zinc/71/59/67/564715967.db2.gz JNSWBZOUDVFCOK-AWEZNQCLSA-N -1 3 397.269 3.497 20 0 GGADHM O=S(=O)([N-]C1CCN(CC2CCCC2)CC1)c1c(F)cc(F)cc1F ZINC000063311239 564716910 /nfs/dbraw/zinc/71/69/10/564716910.db2.gz DYDUDLLCFFSGTN-UHFFFAOYSA-N -1 3 376.444 3.037 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2c(C)noc2C)c1 ZINC000063447612 564717726 /nfs/dbraw/zinc/71/77/26/564717726.db2.gz JRLCSOBLBFYQID-UHFFFAOYSA-N -1 3 385.873 3.228 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2sccc2Br)CC1 ZINC000064057606 564726224 /nfs/dbraw/zinc/72/62/24/564726224.db2.gz ZWFLYJBMEADBSZ-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1NS(C)(=O)=O ZINC000064373900 564727823 /nfs/dbraw/zinc/72/78/23/564727823.db2.gz GVEQQFHHSNUHSV-UHFFFAOYSA-N -1 3 388.898 3.129 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)c(C)c1 ZINC000064373961 564728174 /nfs/dbraw/zinc/72/81/74/564728174.db2.gz ZWLOBIGUNOODLN-UHFFFAOYSA-N -1 3 382.507 3.093 20 0 GGADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Br)o3)no2)c([O-])c1 ZINC000132014911 564731774 /nfs/dbraw/zinc/73/17/74/564731774.db2.gz VIBZQTXJEZEIED-UHFFFAOYSA-N -1 3 392.209 3.079 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000132063969 564732821 /nfs/dbraw/zinc/73/28/21/564732821.db2.gz OXFQZDWSSUBZBC-INIZCTEOSA-N -1 3 378.450 3.359 20 0 GGADHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1OC ZINC000064938460 564736232 /nfs/dbraw/zinc/73/62/32/564736232.db2.gz SOJLHOHIOIWBDX-UHFFFAOYSA-N -1 3 387.860 3.407 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000064856695 564736412 /nfs/dbraw/zinc/73/64/12/564736412.db2.gz RXKBJBHFOUBYLZ-VXGBXAGGSA-N -1 3 386.926 3.288 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064856707 564736726 /nfs/dbraw/zinc/73/67/26/564736726.db2.gz FSMBOPPLCUWOPY-LBPRGKRZSA-N -1 3 386.926 3.117 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064857219 564736746 /nfs/dbraw/zinc/73/67/46/564736746.db2.gz UNRZXYSSYVAUSA-GFCCVEGCSA-N -1 3 386.926 3.117 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)Cc1ccccc1 ZINC000064958242 564737359 /nfs/dbraw/zinc/73/73/59/564737359.db2.gz ZQRAQOMKNAPMKQ-UHFFFAOYSA-N -1 3 379.334 3.465 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000132262146 564738240 /nfs/dbraw/zinc/73/82/40/564738240.db2.gz LKRDQXBPCTZJIL-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000132298773 564738255 /nfs/dbraw/zinc/73/82/55/564738255.db2.gz YQPVABKTUJUCGX-UHFFFAOYSA-N -1 3 377.238 3.026 20 0 GGADHM CSc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000132298107 564738706 /nfs/dbraw/zinc/73/87/06/564738706.db2.gz CCWNIZNHVIIVCB-UHFFFAOYSA-N -1 3 395.278 3.132 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132311259 564739220 /nfs/dbraw/zinc/73/92/20/564739220.db2.gz IZKOERAVXHPQRT-UHFFFAOYSA-N -1 3 397.656 3.371 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccccc1Cl ZINC000132314846 564739233 /nfs/dbraw/zinc/73/92/33/564739233.db2.gz JBXOXNUWKKLTCF-UHFFFAOYSA-N -1 3 383.629 3.063 20 0 GGADHM Cc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1Cl ZINC000132305047 564739426 /nfs/dbraw/zinc/73/94/26/564739426.db2.gz ISIKKMGKZPKGBP-UHFFFAOYSA-N -1 3 397.656 3.371 20 0 GGADHM CNC(=O)c1cccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1 ZINC000065215069 564742020 /nfs/dbraw/zinc/74/20/20/564742020.db2.gz GLFOFKCCHGSRBC-UHFFFAOYSA-N -1 3 399.248 3.451 20 0 GGADHM CNC(=O)c1cccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)c1 ZINC000065215069 564742023 /nfs/dbraw/zinc/74/20/23/564742023.db2.gz GLFOFKCCHGSRBC-UHFFFAOYSA-N -1 3 399.248 3.451 20 0 GGADHM CCCOc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000132419991 564743122 /nfs/dbraw/zinc/74/31/22/564743122.db2.gz UNSZKMMEMRDLGF-UHFFFAOYSA-N -1 3 382.507 3.152 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000132489971 564745132 /nfs/dbraw/zinc/74/51/32/564745132.db2.gz IFZDGIMKKPHXNE-MRXNPFEDSA-N -1 3 378.519 3.089 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1nnc(-c2ccccn2)[n-]1 ZINC000132615300 564747638 /nfs/dbraw/zinc/74/76/38/564747638.db2.gz RIZNRJKHVBFUQJ-UHFFFAOYSA-N -1 3 397.236 3.292 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1nc(-c2ccccn2)n[n-]1 ZINC000132615300 564747641 /nfs/dbraw/zinc/74/76/41/564747641.db2.gz RIZNRJKHVBFUQJ-UHFFFAOYSA-N -1 3 397.236 3.292 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1n[n-]c(-c2ccccn2)n1 ZINC000132615300 564747645 /nfs/dbraw/zinc/74/76/45/564747645.db2.gz RIZNRJKHVBFUQJ-UHFFFAOYSA-N -1 3 397.236 3.292 20 0 GGADHM O=C(NCCc1ccc(F)c(Br)c1)c1c[n-]c2ccccc2c1=O ZINC000065729247 564748265 /nfs/dbraw/zinc/74/82/65/564748265.db2.gz MXZCTHNNWUDSMM-UHFFFAOYSA-N -1 3 389.224 3.402 20 0 GGADHM CN(Cc1csc(Br)c1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065827096 564749829 /nfs/dbraw/zinc/74/98/29/564749829.db2.gz UTWIXUJHKNYEPU-UHFFFAOYSA-N -1 3 394.250 3.058 20 0 GGADHM O=C(NCCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065819845 564750030 /nfs/dbraw/zinc/75/00/30/564750030.db2.gz VNIHGNLGCNNBKW-UHFFFAOYSA-N -1 3 378.215 3.241 20 0 GGADHM O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc([O-])c(F)c1 ZINC000132699335 564751238 /nfs/dbraw/zinc/75/12/38/564751238.db2.gz NVDMNDZWFTXTSU-HNNXBMFYSA-N -1 3 380.828 3.304 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000066041781 564754635 /nfs/dbraw/zinc/75/46/35/564754635.db2.gz JJFYNDHCOMISFE-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000132853544 564754994 /nfs/dbraw/zinc/75/49/94/564754994.db2.gz NDZAWOIPTJMPMO-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000132853544 564754998 /nfs/dbraw/zinc/75/49/98/564754998.db2.gz NDZAWOIPTJMPMO-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000132853544 564755001 /nfs/dbraw/zinc/75/50/01/564755001.db2.gz NDZAWOIPTJMPMO-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(F)cc1I ZINC000132907638 564757068 /nfs/dbraw/zinc/75/70/68/564757068.db2.gz NQFVRXOQSGDLEW-UHFFFAOYSA-N -1 3 389.139 3.205 20 0 GGADHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000132897468 564757203 /nfs/dbraw/zinc/75/72/03/564757203.db2.gz YVPNFENKTHZPLK-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCOCC1 ZINC000132974622 564758805 /nfs/dbraw/zinc/75/88/05/564758805.db2.gz ZRXMKTWPCJCBAC-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000132961761 564759066 /nfs/dbraw/zinc/75/90/66/564759066.db2.gz PWNZOZFRPBYUAQ-AWEZNQCLSA-N -1 3 384.910 3.044 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000132985501 564759175 /nfs/dbraw/zinc/75/91/75/564759175.db2.gz RXFORLOZIDMQPP-GFCCVEGCSA-N -1 3 384.548 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(F)cc1Cl ZINC000133051634 564760841 /nfs/dbraw/zinc/76/08/41/564760841.db2.gz SJZAPROQNOHXAR-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000133121148 564763882 /nfs/dbraw/zinc/76/38/82/564763882.db2.gz KIVUVTSLSGXHMF-UHFFFAOYSA-N -1 3 375.418 3.281 20 0 GGADHM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000133280916 564768711 /nfs/dbraw/zinc/76/87/11/564768711.db2.gz DITCJUNKPMDXOH-LBPRGKRZSA-N -1 3 391.320 3.063 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000133295191 564769625 /nfs/dbraw/zinc/76/96/25/564769625.db2.gz YKDPAHJSRIQRBY-CQSZACIVSA-N -1 3 391.320 3.063 20 0 GGADHM C[S@](=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000133355507 564771023 /nfs/dbraw/zinc/77/10/23/564771023.db2.gz IPWRNTWPXLVTPJ-JOCHJYFZSA-N -1 3 383.267 3.214 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C)c1ccc(C)o1 ZINC000133405422 564772824 /nfs/dbraw/zinc/77/28/24/564772824.db2.gz YCTIHBRCPWQCNN-ZDUSSCGKSA-N -1 3 388.283 3.325 20 0 GGADHM CC(C)COc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000133397501 564773208 /nfs/dbraw/zinc/77/32/08/564773208.db2.gz HTKOULGNRRUKFC-CYBMUJFWSA-N -1 3 382.507 3.088 20 0 GGADHM CC[C@H](CC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccc(C)cc1 ZINC000133448934 564773893 /nfs/dbraw/zinc/77/38/93/564773893.db2.gz KCZNPHGHEONINJ-OAHLLOKOSA-N -1 3 380.535 3.035 20 0 GGADHM CC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccc(C)cc1 ZINC000133448751 564774165 /nfs/dbraw/zinc/77/41/65/564774165.db2.gz KCZNPHGHEONINJ-HNNXBMFYSA-N -1 3 380.535 3.035 20 0 GGADHM C[C@]1(c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000133523753 564777061 /nfs/dbraw/zinc/77/70/61/564777061.db2.gz WYALVGGLCJXWTL-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM Cc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000066920241 564778139 /nfs/dbraw/zinc/77/81/39/564778139.db2.gz COKBEIMSVJYLSS-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)s1 ZINC000066937808 564779317 /nfs/dbraw/zinc/77/93/17/564779317.db2.gz NSVAGXVERVXVGA-UHFFFAOYSA-N -1 3 386.926 3.251 20 0 GGADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1)C(=O)C2 ZINC000133672856 564781914 /nfs/dbraw/zinc/78/19/14/564781914.db2.gz OKKKOTKLEWFNMW-MEBBXXQBSA-N -1 3 376.400 3.238 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCCCCc2cccs2)s1 ZINC000067134754 564785193 /nfs/dbraw/zinc/78/51/93/564785193.db2.gz FCHVQPBGEJQNSL-UHFFFAOYSA-N -1 3 386.564 3.137 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 ZINC000067118655 564785223 /nfs/dbraw/zinc/78/52/23/564785223.db2.gz XEQMSCKKBOIPPY-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Br)cc1[O-] ZINC000067152286 564785913 /nfs/dbraw/zinc/78/59/13/564785913.db2.gz BMIRKRKNYBQCSF-UHFFFAOYSA-N -1 3 389.249 3.012 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000133893178 564788549 /nfs/dbraw/zinc/78/85/49/564788549.db2.gz ISNJHUDMOHEZSE-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000067332152 564789012 /nfs/dbraw/zinc/78/90/12/564789012.db2.gz YDYUNHCQBMFMAB-UHFFFAOYSA-N -1 3 396.387 3.213 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000133998011 564790308 /nfs/dbraw/zinc/79/03/08/564790308.db2.gz GPKLMDYZMNKRPC-UHFFFAOYSA-N -1 3 387.292 3.276 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc2ccccc21 ZINC000134049314 564792209 /nfs/dbraw/zinc/79/22/09/564792209.db2.gz WBWXRQZQLUEGCL-UHFFFAOYSA-N -1 3 380.878 3.472 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)s1 ZINC000067433100 564792560 /nfs/dbraw/zinc/79/25/60/564792560.db2.gz ZGLWLGGVSNELBS-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c(Cl)c1 ZINC000134120303 564794266 /nfs/dbraw/zinc/79/42/66/564794266.db2.gz YOPQTOVMWDNOHK-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM Cc1cc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)ncn1 ZINC000134217513 564796505 /nfs/dbraw/zinc/79/65/05/564796505.db2.gz WTIQHHPJRNEIAC-UHFFFAOYSA-N -1 3 376.239 3.318 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(Br)cc1 ZINC000134289149 564799177 /nfs/dbraw/zinc/79/91/77/564799177.db2.gz VIWPNHSRGIQDSY-UHFFFAOYSA-N -1 3 381.226 3.357 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1 ZINC000067899566 564802360 /nfs/dbraw/zinc/80/23/60/564802360.db2.gz HJNJVYWYZXDTPD-UHFFFAOYSA-N -1 3 381.519 3.418 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000067918228 564802677 /nfs/dbraw/zinc/80/26/77/564802677.db2.gz NRQGCRHRWBUEPE-NSHDSACASA-N -1 3 383.286 3.378 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1 ZINC000134440523 564803645 /nfs/dbraw/zinc/80/36/45/564803645.db2.gz DBNHLVJWJHJTTK-JTQLQIEISA-N -1 3 380.853 3.423 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)cs1 ZINC000067947340 564804378 /nfs/dbraw/zinc/80/43/78/564804378.db2.gz YWSSGTYQZHLGMJ-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCF)c(Br)c1 ZINC000134513305 564805162 /nfs/dbraw/zinc/80/51/62/564805162.db2.gz XMDHCKFWAJSPHD-UHFFFAOYSA-N -1 3 389.084 3.158 20 0 GGADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1sccc1-n1cnnn1 ZINC000068011161 564806251 /nfs/dbraw/zinc/80/62/51/564806251.db2.gz UGQNRXRMDZWKMQ-UHFFFAOYSA-N -1 3 389.853 3.148 20 0 GGADHM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000068038648 564806763 /nfs/dbraw/zinc/80/67/63/564806763.db2.gz DZKZUDXGJNGBDT-UHFFFAOYSA-N -1 3 383.876 3.032 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1ccc(Br)s1 ZINC000134651565 564810766 /nfs/dbraw/zinc/81/07/66/564810766.db2.gz MVPKXGXJCZFVIV-JTQLQIEISA-N -1 3 380.329 3.281 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1Br ZINC000134651989 564811168 /nfs/dbraw/zinc/81/11/68/564811168.db2.gz DLXJCANVWOZPEW-LBPRGKRZSA-N -1 3 392.290 3.358 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1I)c1cccc(F)c1 ZINC000134668952 564811453 /nfs/dbraw/zinc/81/14/53/564811453.db2.gz GUMVUAXDJAXJBK-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1I)c1ccccc1 ZINC000134665968 564811781 /nfs/dbraw/zinc/81/17/81/564811781.db2.gz DYNFLFUDQBSBHG-UHFFFAOYSA-N -1 3 377.178 3.231 20 0 GGADHM O=C(N[C@H]1C=CCCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000134751927 564814584 /nfs/dbraw/zinc/81/45/84/564814584.db2.gz VKCAOYYHGFXKNF-LBPRGKRZSA-N -1 3 382.532 3.127 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000068382594 564816483 /nfs/dbraw/zinc/81/64/83/564816483.db2.gz RXKBJBHFOUBYLZ-NEPJUHHUSA-N -1 3 386.926 3.288 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000068382937 564816506 /nfs/dbraw/zinc/81/65/06/564816506.db2.gz RTHLPUDVGWCVPH-VXGBXAGGSA-N -1 3 386.926 3.288 20 0 GGADHM CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H](C)c1ccc(F)cc1 ZINC000068383594 564816527 /nfs/dbraw/zinc/81/65/27/564816527.db2.gz JEUBPBVJNITRBN-STQMWFEESA-N -1 3 384.498 3.164 20 0 GGADHM CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](C)c1ccc(F)cc1 ZINC000068383592 564816645 /nfs/dbraw/zinc/81/66/45/564816645.db2.gz JEUBPBVJNITRBN-CHWSQXEVSA-N -1 3 384.498 3.164 20 0 GGADHM CC(C)[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000068382315 564816780 /nfs/dbraw/zinc/81/67/80/564816780.db2.gz BAHGKLWNKLEOTL-WBMJQRKESA-N -1 3 384.498 3.068 20 0 GGADHM CC(C)C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000068382321 564816931 /nfs/dbraw/zinc/81/69/31/564816931.db2.gz OMCMGWWFHCMOQD-GOEBONIOSA-N -1 3 380.535 3.319 20 0 GGADHM CCCCOc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068384163 564816973 /nfs/dbraw/zinc/81/69/73/564816973.db2.gz VGVZWTSTICDVBK-CYBMUJFWSA-N -1 3 382.507 3.233 20 0 GGADHM CCCOc1cc(C)ccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068384093 564817032 /nfs/dbraw/zinc/81/70/32/564817032.db2.gz VZCYIGBLISCETN-CYBMUJFWSA-N -1 3 382.507 3.151 20 0 GGADHM CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H](C)c1ccc(F)cc1 ZINC000068383588 564817099 /nfs/dbraw/zinc/81/70/99/564817099.db2.gz JEUBPBVJNITRBN-OLZOCXBDSA-N -1 3 384.498 3.164 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000068383634 564817149 /nfs/dbraw/zinc/81/71/49/564817149.db2.gz APVHWXXWAJCKJK-WFASDCNBSA-N -1 3 398.937 3.432 20 0 GGADHM O=C(CCc1cc(Cl)cc(Cl)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000135020142 564821981 /nfs/dbraw/zinc/82/19/81/564821981.db2.gz PJEPHQZQTWYGJP-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000068883060 564828098 /nfs/dbraw/zinc/82/80/98/564828098.db2.gz QAILHXMFJUHLBU-MRXNPFEDSA-N -1 3 384.860 3.421 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000068883059 564828348 /nfs/dbraw/zinc/82/83/48/564828348.db2.gz QAILHXMFJUHLBU-INIZCTEOSA-N -1 3 384.860 3.421 20 0 GGADHM CCCCN1CCC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000068903445 564828364 /nfs/dbraw/zinc/82/83/64/564828364.db2.gz ZALJSYYYWLYBCA-UHFFFAOYSA-N -1 3 393.322 3.131 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccsc1 ZINC000135349987 564829281 /nfs/dbraw/zinc/82/92/81/564829281.db2.gz WHXDJUKGHPAZDH-UHFFFAOYSA-N -1 3 379.290 3.362 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(Cl)s1 ZINC000069042256 564831566 /nfs/dbraw/zinc/83/15/66/564831566.db2.gz BWDVTZQFXKCYME-JTQLQIEISA-N -1 3 392.880 3.485 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000069161929 564834542 /nfs/dbraw/zinc/83/45/42/564834542.db2.gz PCNVSMBXINJXDV-WBVHZDCISA-N -1 3 386.583 3.310 20 0 GGADHM CN(C)[C@H](CNC(=O)c1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000069231029 564836228 /nfs/dbraw/zinc/83/62/28/564836228.db2.gz NFWZCJFVXSTFHV-HNNXBMFYSA-N -1 3 377.282 3.057 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000069363924 564839192 /nfs/dbraw/zinc/83/91/92/564839192.db2.gz FCJVGXINZFLECL-HIFRSBDPSA-N -1 3 387.571 3.060 20 0 GGADHM COc1ccc2nc(-c3ccc(I)cc3)[n-]c(=O)c2c1 ZINC000069579252 564841875 /nfs/dbraw/zinc/84/18/75/564841875.db2.gz GWIZCGDFCBLKAJ-UHFFFAOYSA-N -1 3 378.169 3.203 20 0 GGADHM CC(C)(C)c1ccc(O)c(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000135884936 564842323 /nfs/dbraw/zinc/84/23/23/564842323.db2.gz FQUKAOSLGXPAQG-UHFFFAOYSA-N -1 3 382.507 3.058 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(C)C ZINC000069790290 564845070 /nfs/dbraw/zinc/84/50/70/564845070.db2.gz MOHUCGIXRDUDKJ-YOEHRIQHSA-N -1 3 380.535 3.237 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)C1CC(=O)C1 ZINC000136047071 564845108 /nfs/dbraw/zinc/84/51/08/564845108.db2.gz KLVNFEZQCFKIGP-UHFFFAOYSA-N -1 3 378.837 3.058 20 0 GGADHM CCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1C ZINC000136192844 564845968 /nfs/dbraw/zinc/84/59/68/564845968.db2.gz RLDJVFDAWOBICR-UHFFFAOYSA-N -1 3 382.869 3.297 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)s1 ZINC000069870414 564846350 /nfs/dbraw/zinc/84/63/50/564846350.db2.gz CVUZLERSIOVVNZ-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM CN(C)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000136265936 564847176 /nfs/dbraw/zinc/84/71/76/564847176.db2.gz WZWGXHHUMKOFLU-INIZCTEOSA-N -1 3 392.297 3.257 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@H](c3ccc(Br)cc3)C2)on1 ZINC000070694641 564850560 /nfs/dbraw/zinc/85/05/60/564850560.db2.gz BQQGUSVNPGGNSS-WFASDCNBSA-N -1 3 394.269 3.146 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000070878254 564853135 /nfs/dbraw/zinc/85/31/35/564853135.db2.gz IOVVRXLKIDWZCI-UHFFFAOYSA-N -1 3 386.267 3.278 20 0 GGADHM CSCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000136753418 564854763 /nfs/dbraw/zinc/85/47/63/564854763.db2.gz DPKOGLDHQNUYCZ-UHFFFAOYSA-N -1 3 382.482 3.109 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000071858570 564857893 /nfs/dbraw/zinc/85/78/93/564857893.db2.gz RYPLBBYQHRCIDG-NSHDSACASA-N -1 3 375.222 3.146 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000071843291 564857976 /nfs/dbraw/zinc/85/79/76/564857976.db2.gz YZDZCOFQSNOBIH-UHFFFAOYSA-N -1 3 398.893 3.294 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000072060251 564860881 /nfs/dbraw/zinc/86/08/81/564860881.db2.gz HTHKUBRHJQRSSL-HNNXBMFYSA-N -1 3 389.249 3.398 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2ccc(F)c(Br)c2)cc1OC ZINC000072281164 564862173 /nfs/dbraw/zinc/86/21/73/564862173.db2.gz HQTYDDOJDHINNT-UHFFFAOYSA-N -1 3 398.228 3.396 20 0 GGADHM COc1cc(Br)c(CNC(=O)c2cc(C)ccc2[O-])cc1OC ZINC000072088769 564862237 /nfs/dbraw/zinc/86/22/37/564862237.db2.gz ITWMLSMATXGNSD-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc2c(c1)NC(=O)CS2 ZINC000072314345 564863163 /nfs/dbraw/zinc/86/31/63/564863163.db2.gz VUEQRXLIZYOLPN-UHFFFAOYSA-N -1 3 379.235 3.451 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078549617 564864181 /nfs/dbraw/zinc/86/41/81/564864181.db2.gz GYDPYLIMBBUNKO-VIFPVBQESA-N -1 3 377.227 3.238 20 0 GGADHM CN(C)c1cccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000138123577 564864897 /nfs/dbraw/zinc/86/48/97/564864897.db2.gz OIDUTOXWHHAYEZ-UHFFFAOYSA-N -1 3 378.270 3.220 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000083843712 564867999 /nfs/dbraw/zinc/86/79/99/564867999.db2.gz STADMZALIYDHBW-UHFFFAOYSA-N -1 3 378.837 3.228 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cnc(-c2ccccc2)s1 ZINC000091773922 564872330 /nfs/dbraw/zinc/87/23/30/564872330.db2.gz ZTXHZTQCVDIXIM-NSHDSACASA-N -1 3 393.515 3.177 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)sc1Br ZINC000091923950 564873689 /nfs/dbraw/zinc/87/36/89/564873689.db2.gz QOHMEDIERGPPAG-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142028165 564874084 /nfs/dbraw/zinc/87/40/84/564874084.db2.gz HQLBTZVIVLNKPV-ZBFHGGJFSA-N -1 3 378.519 3.087 20 0 GGADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccncc1 ZINC000092293511 564876045 /nfs/dbraw/zinc/87/60/45/564876045.db2.gz YIHZWBLOJKVFQM-UHFFFAOYSA-N -1 3 378.270 3.327 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccncc1 ZINC000092264048 564876154 /nfs/dbraw/zinc/87/61/54/564876154.db2.gz OFRXCHOGAKIRAT-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CN(Cc1cc([O-])ccc1Br)C[C@@H](O)COCc1ccccc1 ZINC000092472539 564878184 /nfs/dbraw/zinc/87/81/84/564878184.db2.gz SFCJNGITUHADOS-QGZVFWFLSA-N -1 3 380.282 3.164 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(Br)cc1 ZINC000147735095 564884106 /nfs/dbraw/zinc/88/41/06/564884106.db2.gz DOQYTTNZOLLMBZ-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)cc1 ZINC000149723613 564885827 /nfs/dbraw/zinc/88/58/27/564885827.db2.gz FAVPIAARWUEPLG-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000149522459 564886011 /nfs/dbraw/zinc/88/60/11/564886011.db2.gz VAJAQRUFKYSYDK-DTWKUNHWSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000149522459 564886016 /nfs/dbraw/zinc/88/60/16/564886016.db2.gz VAJAQRUFKYSYDK-DTWKUNHWSA-N -1 3 375.148 3.328 20 0 GGADHM C[C@H](c1cccnc1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000093413506 564886092 /nfs/dbraw/zinc/88/60/92/564886092.db2.gz FKRQYUXTMXCVEX-CQSZACIVSA-N -1 3 376.298 3.429 20 0 GGADHM COc1ccc(CN(CCO)Cc2cc([O-])ccc2Br)c(OC)c1 ZINC000093363787 564886298 /nfs/dbraw/zinc/88/62/98/564886298.db2.gz GUPBCHUJIYHVKI-UHFFFAOYSA-N -1 3 396.281 3.166 20 0 GGADHM COc1ccc(Br)cc1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000150199861 564888214 /nfs/dbraw/zinc/88/82/14/564888214.db2.gz PUBFUUFLUALYED-UHFFFAOYSA-N -1 3 393.237 3.052 20 0 GGADHM [O-]c1ccc(Br)c(CN2CCn3c(nnc3-c3ccccc3)C2)c1 ZINC000093842825 564891955 /nfs/dbraw/zinc/89/19/55/564891955.db2.gz CCRANCLDPJZPIF-UHFFFAOYSA-N -1 3 385.265 3.429 20 0 GGADHM CCCCCN(C(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000093908522 564892597 /nfs/dbraw/zinc/89/25/97/564892597.db2.gz GDFDMVIGSVHWMZ-UHFFFAOYSA-N -1 3 394.534 3.177 20 0 GGADHM CCC(CC)CN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000093907970 564893028 /nfs/dbraw/zinc/89/30/28/564893028.db2.gz JGVZZJAXRMYBID-UHFFFAOYSA-N -1 3 394.534 3.034 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCC(C)(C)C)cc1F ZINC000093911898 564893165 /nfs/dbraw/zinc/89/31/65/564893165.db2.gz FISXSQZICJCESH-UHFFFAOYSA-N -1 3 394.534 3.082 20 0 GGADHM CCCCN([C@@H](C)CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000093907916 564893180 /nfs/dbraw/zinc/89/31/80/564893180.db2.gz JVOMKQQXBUFGHV-ZDUSSCGKSA-N -1 3 394.534 3.177 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000150838252 564893368 /nfs/dbraw/zinc/89/33/68/564893368.db2.gz OSRYCFXRDXBMCO-HNNXBMFYSA-N -1 3 377.491 3.374 20 0 GGADHM CCC(CC)(CC)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000093924998 564893542 /nfs/dbraw/zinc/89/35/42/564893542.db2.gz OEUMQXJREBTSQE-UHFFFAOYSA-N -1 3 394.534 3.082 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)CC)cc1F ZINC000093921547 564893783 /nfs/dbraw/zinc/89/37/83/564893783.db2.gz RAMCGZLILLXLIG-QWHCGFSZSA-N -1 3 394.534 3.080 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1)c1cccs1 ZINC000150852759 564894203 /nfs/dbraw/zinc/89/42/03/564894203.db2.gz JEQJPKKHVLZNJY-OAHLLOKOSA-N -1 3 380.491 3.311 20 0 GGADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000093944396 564894729 /nfs/dbraw/zinc/89/47/29/564894729.db2.gz PTBJQOCFFMORKV-UHFFFAOYSA-N -1 3 375.437 3.144 20 0 GGADHM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000150934576 564897544 /nfs/dbraw/zinc/89/75/44/564897544.db2.gz NINZMVFWPRNQKY-MFKMUULPSA-N -1 3 375.899 3.027 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000150964708 564899690 /nfs/dbraw/zinc/89/96/90/564899690.db2.gz ASNLCBNIRPAVLA-HUUCEWRRSA-N -1 3 393.285 3.334 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000096554766 564902328 /nfs/dbraw/zinc/90/23/28/564902328.db2.gz XJBVFHKYKPEEGZ-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cn1 ZINC000151038655 564902785 /nfs/dbraw/zinc/90/27/85/564902785.db2.gz HEXAFCHOEJEFSH-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000151017697 564902905 /nfs/dbraw/zinc/90/29/05/564902905.db2.gz CKFDGGJSRZMPNN-UHFFFAOYSA-N -1 3 391.200 3.186 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Br)c1)c1cccs1 ZINC000096585152 564903075 /nfs/dbraw/zinc/90/30/75/564903075.db2.gz YCDJWAQBTLEECE-UHFFFAOYSA-N -1 3 375.313 3.162 20 0 GGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Br)ccc2[O-])o1 ZINC000151076597 564904438 /nfs/dbraw/zinc/90/44/38/564904438.db2.gz JLGUQQVXISERFC-UHFFFAOYSA-N -1 3 381.270 3.260 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnnn1-c1ccccc1 ZINC000097573004 564908562 /nfs/dbraw/zinc/90/85/62/564908562.db2.gz KXWOKKCWBPJHCF-SNVBAGLBSA-N -1 3 398.275 3.009 20 0 GGADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ccc(Br)cc1 ZINC000097575636 564909624 /nfs/dbraw/zinc/90/96/24/564909624.db2.gz NCIYEPKEUZXCSE-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1=O ZINC000098052240 564912721 /nfs/dbraw/zinc/91/27/21/564912721.db2.gz ZYPCBKGJRCXXGF-UHFFFAOYSA-N -1 3 380.775 3.341 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151284395 564913679 /nfs/dbraw/zinc/91/36/79/564913679.db2.gz BFLLUODLUHUYEG-CJNGLKHVSA-N -1 3 385.302 3.405 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151284125 564913723 /nfs/dbraw/zinc/91/37/23/564913723.db2.gz BFLLUODLUHUYEG-XJKSGUPXSA-N -1 3 385.302 3.405 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1cccc(Br)c1 ZINC000151305919 564914030 /nfs/dbraw/zinc/91/40/30/564914030.db2.gz ONVYETWNGZPPMO-SECBINFHSA-N -1 3 383.267 3.481 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1nccs1 ZINC000151453585 564920858 /nfs/dbraw/zinc/92/08/58/564920858.db2.gz MDXSEBBTAKMKML-OAHLLOKOSA-N -1 3 388.898 3.171 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccccc1[O-] ZINC000101845546 564922982 /nfs/dbraw/zinc/92/29/82/564922982.db2.gz URMFJXBVCWVGOK-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM COc1ccc2c(ccn2CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151518137 564924478 /nfs/dbraw/zinc/92/44/78/564924478.db2.gz WOLQUOKGFREYDL-UHFFFAOYSA-N -1 3 389.249 3.434 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Cn2cccn2)cc1 ZINC000151533191 564925375 /nfs/dbraw/zinc/92/53/75/564925375.db2.gz UPJLHXVQORUBGB-UHFFFAOYSA-N -1 3 386.249 3.330 20 0 GGADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151557496 564926269 /nfs/dbraw/zinc/92/62/69/564926269.db2.gz TWVRAMLXAWSBLD-OCCSQVGLSA-N -1 3 397.313 3.056 20 0 GGADHM CCC(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151552833 564926379 /nfs/dbraw/zinc/92/63/79/564926379.db2.gz HJQCUTKBFYANHS-UHFFFAOYSA-N -1 3 377.238 3.433 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1occc1Br ZINC000151559223 564926394 /nfs/dbraw/zinc/92/63/94/564926394.db2.gz CIICQBHZDMETQA-UHFFFAOYSA-N -1 3 375.016 3.440 20 0 GGADHM CC(C)(C)c1noc(CCCC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000151555083 564926414 /nfs/dbraw/zinc/92/64/14/564926414.db2.gz FNVGSIFYGSDLQL-UHFFFAOYSA-N -1 3 396.285 3.474 20 0 GGADHM C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151558212 564926581 /nfs/dbraw/zinc/92/65/81/564926581.db2.gz FHVCXLKEMZTLDL-NOZJJQNGSA-N -1 3 396.228 3.051 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Cn2ccnc2)cc1 ZINC000151552490 564926610 /nfs/dbraw/zinc/92/66/10/564926610.db2.gz UUFOQQAQNVTJEC-UHFFFAOYSA-N -1 3 386.249 3.330 20 0 GGADHM CC(C)c1nnc([N-]C(=O)c2oc3ccccc3c2CS(C)(=O)=O)s1 ZINC000102222216 564926935 /nfs/dbraw/zinc/92/69/35/564926935.db2.gz YYFWDOFUGBCEJI-UHFFFAOYSA-N -1 3 379.463 3.205 20 0 GGADHM COc1cccc(CO[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151589269 564928197 /nfs/dbraw/zinc/92/81/97/564928197.db2.gz REKJSVTYIUJEES-LBPRGKRZSA-N -1 3 394.265 3.385 20 0 GGADHM Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000151594970 564928399 /nfs/dbraw/zinc/92/83/99/564928399.db2.gz INTWJNWESIJWOJ-KRWDZBQOSA-N -1 3 376.250 3.391 20 0 GGADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000102331308 564928691 /nfs/dbraw/zinc/92/86/91/564928691.db2.gz MZZKXUYMPDQRJZ-HNNXBMFYSA-N -1 3 375.222 3.071 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(N2CCCC2)nc1 ZINC000151609905 564929371 /nfs/dbraw/zinc/92/93/71/564929371.db2.gz ADTWDCWNNGWZAM-UHFFFAOYSA-N -1 3 376.254 3.080 20 0 GGADHM CCCc1noc(CCCC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000151624099 564930142 /nfs/dbraw/zinc/93/01/42/564930142.db2.gz LTKWPXZDOQSONM-UHFFFAOYSA-N -1 3 382.258 3.129 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Cl)NCCCNC(=O)c1cccc([O-])c1 ZINC000102471331 564930345 /nfs/dbraw/zinc/93/03/45/564930345.db2.gz GUYSBSBSLANYCN-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM CCCN(CCC)C(=O)CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151645757 564930998 /nfs/dbraw/zinc/93/09/98/564930998.db2.gz SPIDUGMGFMXFJD-UHFFFAOYSA-N -1 3 385.302 3.200 20 0 GGADHM COC(=O)c1ccc(CCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151647840 564931183 /nfs/dbraw/zinc/93/11/83/564931183.db2.gz CRWBVRIWGYHHBT-UHFFFAOYSA-N -1 3 392.249 3.190 20 0 GGADHM CCc1[nH]nc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1Br ZINC000499635328 564932098 /nfs/dbraw/zinc/93/20/98/564932098.db2.gz JMEVFOALBAJGHM-UHFFFAOYSA-N -1 3 397.179 3.107 20 0 GGADHM CCc1[nH]nc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])c1Br ZINC000499635328 564932102 /nfs/dbraw/zinc/93/21/02/564932102.db2.gz JMEVFOALBAJGHM-UHFFFAOYSA-N -1 3 397.179 3.107 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000151792718 564936916 /nfs/dbraw/zinc/93/69/16/564936916.db2.gz IUJMVSSXZUQJLR-CHWSQXEVSA-N -1 3 395.352 3.161 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000102888424 564938674 /nfs/dbraw/zinc/93/86/74/564938674.db2.gz JUYFBQVYDLDFLE-ZDUSSCGKSA-N -1 3 379.787 3.371 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1Br ZINC000151881407 564940142 /nfs/dbraw/zinc/94/01/42/564940142.db2.gz QSKUXQXZTKDZEQ-UHFFFAOYSA-N -1 3 386.267 3.059 20 0 GGADHM Cc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1Cl ZINC000102981487 564941178 /nfs/dbraw/zinc/94/11/78/564941178.db2.gz LXZRNNYRGGVKHX-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000103152325 564943628 /nfs/dbraw/zinc/94/36/28/564943628.db2.gz WCVUXWUJVQKVGZ-LBPRGKRZSA-N -1 3 396.431 3.487 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Nc1ccc(Cl)cc1 ZINC000103156750 564943699 /nfs/dbraw/zinc/94/36/99/564943699.db2.gz FGPDIMROOLETQQ-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000103152327 564943778 /nfs/dbraw/zinc/94/37/78/564943778.db2.gz WCVUXWUJVQKVGZ-GFCCVEGCSA-N -1 3 396.431 3.487 20 0 GGADHM CCC(CC)(CCO)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000152151326 564948312 /nfs/dbraw/zinc/94/83/12/564948312.db2.gz MIDQIBWFYXUDAS-UHFFFAOYSA-N -1 3 395.297 3.209 20 0 GGADHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000103498657 564949645 /nfs/dbraw/zinc/94/96/45/564949645.db2.gz IEDIGXACMOJQDO-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)c(F)c1 ZINC000103943524 564952245 /nfs/dbraw/zinc/95/22/45/564952245.db2.gz YLJHWLXEFBJHQF-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000104147159 564953943 /nfs/dbraw/zinc/95/39/43/564953943.db2.gz NBCXITGYZAGFSY-MRXNPFEDSA-N -1 3 399.244 3.310 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000152302779 564954333 /nfs/dbraw/zinc/95/43/33/564954333.db2.gz SZFKJPKTMBEWEI-LLVKDONJSA-N -1 3 397.722 3.005 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000152313869 564954481 /nfs/dbraw/zinc/95/44/81/564954481.db2.gz PTIMTLQFONQRRH-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(COCC(F)(F)F)c1 ZINC000152316510 564955259 /nfs/dbraw/zinc/95/52/59/564955259.db2.gz MHADVLLCPLYPBE-UHFFFAOYSA-N -1 3 395.424 3.314 20 0 GGADHM Cc1ccncc1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000104455321 564955695 /nfs/dbraw/zinc/95/56/95/564955695.db2.gz IJNOXVNMGQMCDH-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)cc1Cl ZINC000104733742 564958183 /nfs/dbraw/zinc/95/81/83/564958183.db2.gz MDEIPRNTQXDOPA-UHFFFAOYSA-N -1 3 388.823 3.364 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)s1 ZINC000104742919 564959172 /nfs/dbraw/zinc/95/91/72/564959172.db2.gz FNAGTCMVOUDMBQ-GOSISDBHSA-N -1 3 378.519 3.204 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)s1 ZINC000104742914 564959266 /nfs/dbraw/zinc/95/92/66/564959266.db2.gz FNAGTCMVOUDMBQ-SFHVURJKSA-N -1 3 378.519 3.204 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1ccc(F)cc1Br ZINC000104752926 564959392 /nfs/dbraw/zinc/95/93/92/564959392.db2.gz CCXIMXKJMUIYIX-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1nc(C)cs1 ZINC000104759983 564960261 /nfs/dbraw/zinc/96/02/61/564960261.db2.gz WPPNOZKSYYAQPP-LLVKDONJSA-N -1 3 388.898 3.306 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000104936620 564961700 /nfs/dbraw/zinc/96/17/00/564961700.db2.gz LNZABYNQCUHQDR-XJKSGUPXSA-N -1 3 389.249 3.399 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)c1 ZINC000152557405 564964071 /nfs/dbraw/zinc/96/40/71/564964071.db2.gz FVIUTGDNTKPZSH-CQSZACIVSA-N -1 3 398.278 3.178 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)c1 ZINC000152644400 564967233 /nfs/dbraw/zinc/96/72/33/564967233.db2.gz SNYHWFWZYMYNDD-AWEZNQCLSA-N -1 3 384.299 3.192 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[n-]1 ZINC000501046703 564968730 /nfs/dbraw/zinc/96/87/30/564968730.db2.gz VPVREYOUOTYLNT-UHFFFAOYSA-N -1 3 380.788 3.365 20 0 GGADHM O=S(=O)([N-]C1CCN(CC2CCCC2)CC1)c1cc(F)c(F)cc1F ZINC000105619503 564969381 /nfs/dbraw/zinc/96/93/81/564969381.db2.gz VEQMWLJCPQYVOC-UHFFFAOYSA-N -1 3 376.444 3.037 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000105712593 564973047 /nfs/dbraw/zinc/97/30/47/564973047.db2.gz LBQZRASPWFJLQI-VIFPVBQESA-N -1 3 377.249 3.232 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2c(Cl)cccc2Cl)on1 ZINC000105713141 564973285 /nfs/dbraw/zinc/97/32/85/564973285.db2.gz PGWUIFZYTAFSSO-SECBINFHSA-N -1 3 377.249 3.232 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)CO2 ZINC000152884080 564975800 /nfs/dbraw/zinc/97/58/00/564975800.db2.gz KPFWNDRKLDUAKU-AWEZNQCLSA-N -1 3 377.238 3.396 20 0 GGADHM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000152952601 564978273 /nfs/dbraw/zinc/97/82/73/564978273.db2.gz RMTUAZGXCKWNNP-UHFFFAOYSA-N -1 3 398.278 3.373 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000152963239 564979074 /nfs/dbraw/zinc/97/90/74/564979074.db2.gz MOHNTIZEHATBAH-HZMBPMFUSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000152963161 564979179 /nfs/dbraw/zinc/97/91/79/564979179.db2.gz MOHNTIZEHATBAH-YGRLFVJLSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1C(F)(F)F ZINC000152972405 564979930 /nfs/dbraw/zinc/97/99/30/564979930.db2.gz NSARWISODOLRDU-RISCZKNCSA-N -1 3 381.441 3.038 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000152980733 564980060 /nfs/dbraw/zinc/98/00/60/564980060.db2.gz RLURQCNWORVPSS-SMDDNHRTSA-N -1 3 399.431 3.178 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1c(Cl)cccc1Cl ZINC000152985776 564980844 /nfs/dbraw/zinc/98/08/44/564980844.db2.gz ZEUIQQALJOORMK-QMTHXVAHSA-N -1 3 382.334 3.326 20 0 GGADHM CCOc1cc(Br)c([N-]C(=O)c2cc(OC)no2)cc1OCC ZINC000153040572 564981976 /nfs/dbraw/zinc/98/19/76/564981976.db2.gz MZLKRSJJKNRSKZ-UHFFFAOYSA-N -1 3 385.214 3.495 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)[n-]1 ZINC000501750346 564985863 /nfs/dbraw/zinc/98/58/63/564985863.db2.gz KUFXWIZNBBGDHN-UHFFFAOYSA-N -1 3 376.825 3.149 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)c(Cl)c1 ZINC000106722481 564987712 /nfs/dbraw/zinc/98/77/12/564987712.db2.gz CAUZFCUQINLSHL-UHFFFAOYSA-N -1 3 387.910 3.470 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000153231511 564988670 /nfs/dbraw/zinc/98/86/70/564988670.db2.gz AJDCXDJQFTZFBH-MRXNPFEDSA-N -1 3 379.243 3.163 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1nc(C(C)(C)C)cs1 ZINC000106893265 564990668 /nfs/dbraw/zinc/99/06/68/564990668.db2.gz FRRUJSKKDHDBCW-LLVKDONJSA-N -1 3 382.507 3.251 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)cs1 ZINC000106893141 564991120 /nfs/dbraw/zinc/99/11/20/564991120.db2.gz AYSRBHZEFKWGPQ-NSHDSACASA-N -1 3 382.507 3.251 20 0 GGADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1cccc(O)c1 ZINC000153333888 564991987 /nfs/dbraw/zinc/99/19/87/564991987.db2.gz GLRORJLLGBVLOZ-JTQLQIEISA-N -1 3 387.233 3.487 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@H]2CCO[C@@H]21 ZINC000153422290 564994366 /nfs/dbraw/zinc/99/43/66/564994366.db2.gz WRKWFBPJHOEUCK-WQAKAFBOSA-N -1 3 394.718 3.194 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153464784 564996382 /nfs/dbraw/zinc/99/63/82/564996382.db2.gz GLQFJRQEKXKXJM-VIFPVBQESA-N -1 3 389.260 3.005 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153536851 564999933 /nfs/dbraw/zinc/99/99/33/564999933.db2.gz KNWZTEWVZDMTLT-UHFFFAOYSA-N -1 3 382.869 3.327 20 0 GGADHM C[C@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc2N1S(C)(=O)=O ZINC000153576941 565001653 /nfs/dbraw/zinc/00/16/53/565001653.db2.gz JSZRGCCNBFABFZ-JTQLQIEISA-N -1 3 380.853 3.009 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153624306 565004229 /nfs/dbraw/zinc/00/42/29/565004229.db2.gz ASWCZOOZNRUKDE-UHFFFAOYSA-N -1 3 382.869 3.327 20 0 GGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153692174 565006311 /nfs/dbraw/zinc/00/63/11/565006311.db2.gz GUULAYXXZNQACU-UWVGGRQHSA-N -1 3 380.304 3.179 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCc1cccc2ccccc21 ZINC000153742497 565008808 /nfs/dbraw/zinc/00/88/08/565008808.db2.gz DOLFUFYLTRIWED-UHFFFAOYSA-N -1 3 394.905 3.149 20 0 GGADHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000108402021 565010972 /nfs/dbraw/zinc/01/09/72/565010972.db2.gz GQAUPZDIPJMRFF-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000108405144 565011086 /nfs/dbraw/zinc/01/10/86/565011086.db2.gz DFNVRCUJNCZJDP-JTQLQIEISA-N -1 3 392.955 3.179 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000108405008 565011187 /nfs/dbraw/zinc/01/11/87/565011187.db2.gz QWROXTMJXOXONE-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM Cc1ccc(C)c(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000153825015 565012725 /nfs/dbraw/zinc/01/27/25/565012725.db2.gz YGQGZUIDZFDWDY-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2ccccc2SCCC(N)=O)n1 ZINC000108722029 565016335 /nfs/dbraw/zinc/01/63/35/565016335.db2.gz WCVKXWQQJAPDOR-UHFFFAOYSA-N -1 3 378.885 3.473 20 0 GGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153908244 565016872 /nfs/dbraw/zinc/01/68/72/565016872.db2.gz DZKQAWFVGSVZBZ-AWEZNQCLSA-N -1 3 398.937 3.352 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1ccc(Br)s1 ZINC000108875396 565018208 /nfs/dbraw/zinc/01/82/08/565018208.db2.gz LLIBYHXZOCIEEK-SNVBAGLBSA-N -1 3 388.308 3.355 20 0 GGADHM Cn1cnnc1[N-]C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000153953337 565019193 /nfs/dbraw/zinc/01/91/93/565019193.db2.gz ZBCJXQQZEZPKAU-OAHLLOKOSA-N -1 3 387.237 3.336 20 0 GGADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000153971004 565020171 /nfs/dbraw/zinc/02/01/71/565020171.db2.gz VKEVIDNKTHSWGG-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000109164383 565022431 /nfs/dbraw/zinc/02/24/31/565022431.db2.gz GGOAZRIKSPAMLJ-FZMZJTMJSA-N -1 3 386.926 3.336 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1F ZINC000109345303 565024552 /nfs/dbraw/zinc/02/45/52/565024552.db2.gz BFTSLMKCUPUZKF-UHFFFAOYSA-N -1 3 381.816 3.050 20 0 GGADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000109354772 565024626 /nfs/dbraw/zinc/02/46/26/565024626.db2.gz SQZCODFYRVBADV-OAHLLOKOSA-N -1 3 375.266 3.159 20 0 GGADHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000109575296 565027833 /nfs/dbraw/zinc/02/78/33/565027833.db2.gz PYITXRGCPKZMKV-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM C[C@@]1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCS1 ZINC000154176768 565028871 /nfs/dbraw/zinc/02/88/71/565028871.db2.gz OSVXFWKBWSLXGB-INIZCTEOSA-N -1 3 381.295 3.306 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)Cc1nc2ccccc2s1 ZINC000154212394 565029571 /nfs/dbraw/zinc/02/95/71/565029571.db2.gz SDIATYRPBCSWEX-JTQLQIEISA-N -1 3 396.515 3.054 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000109815348 565032233 /nfs/dbraw/zinc/03/22/33/565032233.db2.gz OZZZILROADMOGU-FZMZJTMJSA-N -1 3 394.306 3.462 20 0 GGADHM Cn1c(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc2c1cccc2F ZINC000109839530 565032279 /nfs/dbraw/zinc/03/22/79/565032279.db2.gz NSDZZOJJEUWKNA-UHFFFAOYSA-N -1 3 385.823 3.026 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccccc1Cl ZINC000154349477 565035341 /nfs/dbraw/zinc/03/53/41/565035341.db2.gz WFLCYZNZQNJXHO-AWEZNQCLSA-N -1 3 384.910 3.044 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(Cl)c2)c(=O)[n-]1 ZINC000154366646 565035378 /nfs/dbraw/zinc/03/53/78/565035378.db2.gz MLGAJTGYLZWKDV-UHFFFAOYSA-N -1 3 384.661 3.374 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@@H]1C ZINC000110462718 565040696 /nfs/dbraw/zinc/04/06/96/565040696.db2.gz GHZYZWRCHUTESF-QWRGUYRKSA-N -1 3 379.309 3.061 20 0 GGADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccc2c(c1)OCCO2 ZINC000110590529 565042682 /nfs/dbraw/zinc/04/26/82/565042682.db2.gz BZVRWJSWGLMITF-UHFFFAOYSA-N -1 3 388.214 3.160 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1ncc(-c2ccccc2)o1 ZINC000154598572 565045744 /nfs/dbraw/zinc/04/57/44/565045744.db2.gz ONPADDKBHZFJHZ-SNVBAGLBSA-N -1 3 378.841 3.012 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000154625924 565047565 /nfs/dbraw/zinc/04/75/65/565047565.db2.gz PBDORORBMDDABH-LLVKDONJSA-N -1 3 380.491 3.145 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1ccc(Br)c(Cl)c1 ZINC000154698946 565049692 /nfs/dbraw/zinc/04/96/92/565049692.db2.gz YZXVFHKQDOMXNA-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000111346502 565052885 /nfs/dbraw/zinc/05/28/85/565052885.db2.gz ALHISXFKTIIYTN-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOC2(CCCC2)C1 ZINC000154794009 565053061 /nfs/dbraw/zinc/05/30/61/565053061.db2.gz KOABMJHLLPFABX-ZDUSSCGKSA-N -1 3 383.286 3.446 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2ccc(C)nc2)cc1Cl ZINC000111356064 565053452 /nfs/dbraw/zinc/05/34/52/565053452.db2.gz UQDXWCUEIGBJEX-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC000154820941 565053808 /nfs/dbraw/zinc/05/38/08/565053808.db2.gz SJCMLMANWAPOOU-UHFFFAOYSA-N -1 3 384.860 3.100 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc21 ZINC000111367031 565054026 /nfs/dbraw/zinc/05/40/26/565054026.db2.gz IVUSEKABPXEGMH-UHFFFAOYSA-N -1 3 384.910 3.049 20 0 GGADHM CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000154854425 565054915 /nfs/dbraw/zinc/05/49/15/565054915.db2.gz XDKMRPWSJDNWCB-UHFFFAOYSA-N -1 3 382.873 3.453 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1ccc(Br)cc1Cl ZINC000111632426 565055951 /nfs/dbraw/zinc/05/59/51/565055951.db2.gz ANLRCVCOZMLTME-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(Br)ccc1F ZINC000154868057 565055605 /nfs/dbraw/zinc/05/56/05/565055605.db2.gz WKLZZADCXLADPF-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM Cc1c2cc(F)ccc2sc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000154902737 565056103 /nfs/dbraw/zinc/05/61/03/565056103.db2.gz YSZHJDXRLHYMDU-UHFFFAOYSA-N -1 3 398.506 3.119 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1cccs1 ZINC000155036884 565060100 /nfs/dbraw/zinc/06/01/00/565060100.db2.gz ROVCOCVKAVAZRO-SNVBAGLBSA-N -1 3 392.424 3.331 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccsc1 ZINC000155037122 565060173 /nfs/dbraw/zinc/06/01/73/565060173.db2.gz GEIRZBJIEKSTTN-SNVBAGLBSA-N -1 3 392.424 3.331 20 0 GGADHM CSc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)o1 ZINC000112269638 565061471 /nfs/dbraw/zinc/06/14/71/565061471.db2.gz CXBLVPMCPDKSRI-UHFFFAOYSA-N -1 3 394.396 3.094 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)C)c2)cc1C ZINC000112266903 565061595 /nfs/dbraw/zinc/06/15/95/565061595.db2.gz GPSFYYPPICANSZ-UHFFFAOYSA-N -1 3 381.519 3.427 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(-c3ccccc3Cl)[nH]n2)s1 ZINC000155107724 565061944 /nfs/dbraw/zinc/06/19/44/565061944.db2.gz WWSFPZRRSBTRHM-UHFFFAOYSA-N -1 3 377.813 3.011 20 0 GGADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000112277190 565061988 /nfs/dbraw/zinc/06/19/88/565061988.db2.gz ZDAALINHTPYLFE-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000112277190 565061989 /nfs/dbraw/zinc/06/19/89/565061989.db2.gz ZDAALINHTPYLFE-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000112277190 565061990 /nfs/dbraw/zinc/06/19/90/565061990.db2.gz ZDAALINHTPYLFE-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000112361733 565063121 /nfs/dbraw/zinc/06/31/21/565063121.db2.gz PAWFYFVADMWBLN-AWEZNQCLSA-N -1 3 380.897 3.153 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)c1 ZINC000112361951 565063130 /nfs/dbraw/zinc/06/31/30/565063130.db2.gz MXZRBAAFYLXHSU-UHFFFAOYSA-N -1 3 377.796 3.429 20 0 GGADHM COc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000112625627 565065083 /nfs/dbraw/zinc/06/50/83/565065083.db2.gz QKOCCRHLWAUECZ-UHFFFAOYSA-N -1 3 387.233 3.229 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2csc(-c3ccco3)n2)[n-]1 ZINC000155261101 565065462 /nfs/dbraw/zinc/06/54/62/565065462.db2.gz PLSZULVKACAEKG-VWLOTQADSA-N -1 3 389.380 3.366 20 0 GGADHM COc1ccc(Cl)cc1C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155286430 565065643 /nfs/dbraw/zinc/06/56/43/565065643.db2.gz VNWAATFNQLTQQW-XMMPIXPASA-N -1 3 380.775 3.312 20 0 GGADHM CCCCc1nc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155309127 565066042 /nfs/dbraw/zinc/06/60/42/565066042.db2.gz BSLVNABWBMVBOY-DEOSSOPVSA-N -1 3 379.429 3.449 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCCOc2ccc(F)cc2)[n-]1 ZINC000155323039 565066174 /nfs/dbraw/zinc/06/61/74/565066174.db2.gz OGEFULTUDLKRLS-RUZDIDTESA-N -1 3 378.347 3.058 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2csc(-c3ccoc3)n2)[n-]1 ZINC000155347768 565066552 /nfs/dbraw/zinc/06/65/52/565066552.db2.gz QEPMNSLYWIFTGZ-VWLOTQADSA-N -1 3 389.380 3.366 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155461326 565068067 /nfs/dbraw/zinc/06/80/67/565068067.db2.gz RFKFHDFZUGZZME-PRHODGIISA-N -1 3 397.722 3.005 20 0 GGADHM CCC[C@@H](C)CS(=O)(=O)[N-]CC(=O)Nc1cc(Br)ccc1C ZINC000113286233 565068986 /nfs/dbraw/zinc/06/89/86/565068986.db2.gz WTHQSQIJKPAONH-LLVKDONJSA-N -1 3 391.331 3.052 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1 ZINC000113292498 565069012 /nfs/dbraw/zinc/06/90/12/565069012.db2.gz AVTFGCAATYYFEN-NSHDSACASA-N -1 3 387.288 3.440 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000113286852 565069132 /nfs/dbraw/zinc/06/91/32/565069132.db2.gz ZOURVDWERADYDO-RYUDHWBXSA-N -1 3 393.336 3.202 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000155619340 565069690 /nfs/dbraw/zinc/06/96/90/565069690.db2.gz DFBWFHLZSZZEFN-SECBINFHSA-N -1 3 375.853 3.340 20 0 GGADHM CC(C)(C)c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000113711440 565070817 /nfs/dbraw/zinc/07/08/17/565070817.db2.gz DQHZEGJWXARWMM-UHFFFAOYSA-N -1 3 378.281 3.195 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)sc1Br ZINC000155753477 565071299 /nfs/dbraw/zinc/07/12/99/565071299.db2.gz YQSXVHAMNPCHPO-JLLWLGSASA-N -1 3 392.340 3.055 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(c2ccccc2)CCCC1 ZINC000113914539 565071433 /nfs/dbraw/zinc/07/14/33/565071433.db2.gz VMEFKBSZNFBCHU-AWEZNQCLSA-N -1 3 378.519 3.001 20 0 GGADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000113913182 565071558 /nfs/dbraw/zinc/07/15/58/565071558.db2.gz OSXHPOMTHYJBGF-MRVPVSSYSA-N -1 3 390.237 3.386 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000113946786 565071823 /nfs/dbraw/zinc/07/18/23/565071823.db2.gz MOHKHPDIAAVYSG-ZETCQYMHSA-N -1 3 395.225 3.372 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCC(C)C)cc1F ZINC000155834569 565072087 /nfs/dbraw/zinc/07/20/87/565072087.db2.gz YXXRHKZGHVAAOX-CYBMUJFWSA-N -1 3 394.534 3.080 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000114117509 565072342 /nfs/dbraw/zinc/07/23/42/565072342.db2.gz YQPYQMKZQJYDMK-NHYWBVRUSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000114117514 565072346 /nfs/dbraw/zinc/07/23/46/565072346.db2.gz YQPYQMKZQJYDMK-XHDPSFHLSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000114115582 565072375 /nfs/dbraw/zinc/07/23/75/565072375.db2.gz NWBXPSVPWPXKRE-BDJLRTHQSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000114115579 565072474 /nfs/dbraw/zinc/07/24/74/565072474.db2.gz NWBXPSVPWPXKRE-ZBEGNZNMSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000114182389 565072695 /nfs/dbraw/zinc/07/26/95/565072695.db2.gz SDOCTONWWPTTBB-NHYWBVRUSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000114225750 565073046 /nfs/dbraw/zinc/07/30/46/565073046.db2.gz SUGPNIDANSCPMK-ZANVPECISA-N -1 3 387.552 3.082 20 0 GGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155960179 565073328 /nfs/dbraw/zinc/07/33/28/565073328.db2.gz FNBVONYAJXISMT-LLVKDONJSA-N -1 3 378.347 3.406 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000155972352 565073503 /nfs/dbraw/zinc/07/35/03/565073503.db2.gz NQAIFDDSOUNBED-JTQLQIEISA-N -1 3 382.291 3.374 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C2CC2)n1 ZINC000156013107 565074050 /nfs/dbraw/zinc/07/40/50/565074050.db2.gz AZWNHOSASLVXJD-CYBMUJFWSA-N -1 3 382.898 3.411 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000156048325 565074291 /nfs/dbraw/zinc/07/42/91/565074291.db2.gz PWKPZYFOJWXHRS-UHFFFAOYSA-N -1 3 391.262 3.180 20 0 GGADHM CC(C)c1cc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)on1 ZINC000114433313 565074378 /nfs/dbraw/zinc/07/43/78/565074378.db2.gz VMYLPPDKQBBMLU-UHFFFAOYSA-N -1 3 390.237 3.332 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(CC(C)C)CCCC2)s1 ZINC000156074254 565074841 /nfs/dbraw/zinc/07/48/41/565074841.db2.gz KRHZJLAGRVAAJM-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000156144993 565075361 /nfs/dbraw/zinc/07/53/61/565075361.db2.gz UCSQGDFQANYPKG-NSHDSACASA-N -1 3 376.459 3.122 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1cccs1 ZINC000156171784 565075545 /nfs/dbraw/zinc/07/55/45/565075545.db2.gz FPAZHZHOTDDLLN-UHFFFAOYSA-N -1 3 381.500 3.270 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000156191473 565075594 /nfs/dbraw/zinc/07/55/94/565075594.db2.gz DAQRDPQVLKZYEA-NSHDSACASA-N -1 3 376.459 3.122 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000156348490 565081449 /nfs/dbraw/zinc/08/14/49/565081449.db2.gz RJMUNOUCQWALGC-SNVBAGLBSA-N -1 3 382.707 3.338 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000291891530 565083832 /nfs/dbraw/zinc/08/38/32/565083832.db2.gz IALCXYRBPYTEQO-UHFFFAOYSA-N -1 3 382.335 3.062 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000156429930 565087029 /nfs/dbraw/zinc/08/70/29/565087029.db2.gz FVHDEHUCCCIJJX-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM C[C@@H](CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(F)c(Br)c1 ZINC000291975283 565089897 /nfs/dbraw/zinc/08/98/97/565089897.db2.gz TZHDJYVSUGMEKO-JTQLQIEISA-N -1 3 394.244 3.162 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000156531015 565091965 /nfs/dbraw/zinc/09/19/65/565091965.db2.gz DCQNMCPYQQXQFM-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156520910 565092512 /nfs/dbraw/zinc/09/25/12/565092512.db2.gz UKMBHJUJVFKIRB-KPZWWZAWSA-N -1 3 378.266 3.326 20 0 GGADHM Cn1cc(Br)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156516491 565092524 /nfs/dbraw/zinc/09/25/24/565092524.db2.gz DBCMSKTUQNZKOD-UHFFFAOYSA-N -1 3 388.059 3.186 20 0 GGADHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292034016 565093343 /nfs/dbraw/zinc/09/33/43/565093343.db2.gz XAZJYOIQSJORQD-RISCZKNCSA-N -1 3 392.297 3.115 20 0 GGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000156550517 565093591 /nfs/dbraw/zinc/09/35/91/565093591.db2.gz HRGWYVTUJJNARJ-LBPRGKRZSA-N -1 3 390.324 3.085 20 0 GGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000156550388 565093908 /nfs/dbraw/zinc/09/39/08/565093908.db2.gz HRGWYVTUJJNARJ-GFCCVEGCSA-N -1 3 390.324 3.085 20 0 GGADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000156567056 565095120 /nfs/dbraw/zinc/09/51/20/565095120.db2.gz XTHPQFNAIOBDIR-CYBMUJFWSA-N -1 3 390.324 3.085 20 0 GGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000156597999 565096746 /nfs/dbraw/zinc/09/67/46/565096746.db2.gz WKUUSMUDPGMLRS-HNNXBMFYSA-N -1 3 384.295 3.023 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000156657614 565099594 /nfs/dbraw/zinc/09/95/94/565099594.db2.gz GTWPUYPIUTWJBS-GUYCJALGSA-N -1 3 389.293 3.405 20 0 GGADHM CCOc1ccc2nc(NC(=O)c3c(C)[n-]c(=O)nc3SC)sc2c1 ZINC000266981503 565099770 /nfs/dbraw/zinc/09/97/70/565099770.db2.gz QIJCBPFUGFYRQZ-UHFFFAOYSA-N -1 3 376.463 3.473 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2sc(C)nc2C)c1 ZINC000266985293 565100083 /nfs/dbraw/zinc/10/00/83/565100083.db2.gz ASNXXHVLSXWBIY-UHFFFAOYSA-N -1 3 391.312 3.010 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000292170997 565102250 /nfs/dbraw/zinc/10/22/50/565102250.db2.gz DOYJFIRQSOXDQJ-UHFFFAOYSA-N -1 3 383.844 3.079 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000156797419 565106292 /nfs/dbraw/zinc/10/62/92/565106292.db2.gz BDQAWRRRNVWANS-UHFFFAOYSA-N -1 3 382.309 3.487 20 0 GGADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000292236975 565106540 /nfs/dbraw/zinc/10/65/40/565106540.db2.gz IRXINOBVWWQQPF-NSHDSACASA-N -1 3 395.855 3.079 20 0 GGADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000292236973 565106552 /nfs/dbraw/zinc/10/65/52/565106552.db2.gz IRXINOBVWWQQPF-LLVKDONJSA-N -1 3 395.855 3.079 20 0 GGADHM O=C(Cc1nc(=O)c2c([n-]1)sc1c2CCCS1)c1cc(Cl)ccn1 ZINC000183953673 565107107 /nfs/dbraw/zinc/10/71/07/565107107.db2.gz DEARMIZPWKNEMH-UHFFFAOYSA-N -1 3 377.878 3.497 20 0 GGADHM Cc1cccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1Br ZINC000156838331 565107389 /nfs/dbraw/zinc/10/73/89/565107389.db2.gz SVOXIEXOWMFLDP-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000156834541 565107450 /nfs/dbraw/zinc/10/74/50/565107450.db2.gz OXGZUVFUZLXQNM-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1Br ZINC000156838777 565107538 /nfs/dbraw/zinc/10/75/38/565107538.db2.gz HKQIDCVPOGZCDP-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2OC(F)F)c(C)o1 ZINC000183981042 565108701 /nfs/dbraw/zinc/10/87/01/565108701.db2.gz NGOCFALMXYDLMC-UHFFFAOYSA-N -1 3 394.783 3.003 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccccc1CCC(F)(F)F ZINC000156852288 565109233 /nfs/dbraw/zinc/10/92/33/565109233.db2.gz WSBPPADINKPZKK-UHFFFAOYSA-N -1 3 392.424 3.160 20 0 GGADHM CC(C)c1[nH]nc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1Br ZINC000636354966 565109839 /nfs/dbraw/zinc/10/98/39/565109839.db2.gz ZLPLHPBTFGYBCN-SSDOTTSWSA-N -1 3 386.275 3.251 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)c1nccs1 ZINC000267238576 565111298 /nfs/dbraw/zinc/11/12/98/565111298.db2.gz SNODUGWPXIHBJV-OAHLLOKOSA-N -1 3 387.914 3.359 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)c1nccs1 ZINC000267238574 565111340 /nfs/dbraw/zinc/11/13/40/565111340.db2.gz SNODUGWPXIHBJV-HNNXBMFYSA-N -1 3 387.914 3.359 20 0 GGADHM O=[S@](Cc1noc(Cc2ccc(Br)cc2)n1)c1cccc([O-])c1 ZINC000184069433 565112242 /nfs/dbraw/zinc/11/22/42/565112242.db2.gz KZSBUYWHIGJPDV-HSZRJFAPSA-N -1 3 393.262 3.436 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)c1nc(C)cs1 ZINC000267265915 565112656 /nfs/dbraw/zinc/11/26/56/565112656.db2.gz XOEGXAQWUQKSQW-CYBMUJFWSA-N -1 3 387.914 3.493 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc(Br)c1[O-] ZINC000156991375 565114048 /nfs/dbraw/zinc/11/40/48/565114048.db2.gz ZYIITAUSKQRYLP-LDOQWONVSA-N -1 3 396.281 3.250 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)c3cccc(Br)c3)c(F)cc2N1 ZINC000156997543 565114736 /nfs/dbraw/zinc/11/47/36/565114736.db2.gz YSZMFIRLIUFDCP-UHFFFAOYSA-N -1 3 399.241 3.274 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c(F)cc2N1 ZINC000156984879 565114781 /nfs/dbraw/zinc/11/47/81/565114781.db2.gz UOKKBHRLXTVJPM-UHFFFAOYSA-N -1 3 399.241 3.274 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CC1 ZINC000157125498 565120393 /nfs/dbraw/zinc/12/03/93/565120393.db2.gz NEZOKBCVCBNIPO-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)s1 ZINC000267517068 565120652 /nfs/dbraw/zinc/12/06/52/565120652.db2.gz VFHNGLFQYMPJIB-UHFFFAOYSA-N -1 3 386.808 3.133 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)s1 ZINC000267517068 565120653 /nfs/dbraw/zinc/12/06/53/565120653.db2.gz VFHNGLFQYMPJIB-UHFFFAOYSA-N -1 3 386.808 3.133 20 0 GGADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)s1 ZINC000267552140 565121980 /nfs/dbraw/zinc/12/19/80/565121980.db2.gz DNHVJIRGMDYVAQ-JTQLQIEISA-N -1 3 376.887 3.092 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1Br ZINC000184249605 565122339 /nfs/dbraw/zinc/12/23/39/565122339.db2.gz WJZRTIKLRXTFDS-UHFFFAOYSA-N -1 3 397.250 3.003 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1Br ZINC000184250271 565122825 /nfs/dbraw/zinc/12/28/25/565122825.db2.gz FJQCIGNNZIIART-UHFFFAOYSA-N -1 3 384.251 3.330 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1cc(C(F)(F)F)ccc1Cl ZINC000184262161 565123606 /nfs/dbraw/zinc/12/36/06/565123606.db2.gz KMNJMSJGLGTREI-NSHDSACASA-N -1 3 383.775 3.354 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1cc(C(F)(F)F)ccc1Cl ZINC000184262143 565123942 /nfs/dbraw/zinc/12/39/42/565123942.db2.gz KMNJMSJGLGTREI-LLVKDONJSA-N -1 3 383.775 3.354 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1 ZINC000267600022 565124623 /nfs/dbraw/zinc/12/46/23/565124623.db2.gz DFUMVIUZCBNVMB-ZETCQYMHSA-N -1 3 382.294 3.031 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cs1 ZINC000267640243 565126294 /nfs/dbraw/zinc/12/62/94/565126294.db2.gz QRMRGQADQIEDOS-VIFPVBQESA-N -1 3 380.413 3.348 20 0 GGADHM COc1cccc(C(=O)Nc2cc(Br)ccc2NC(C)=O)c1[O-] ZINC000157284237 565126329 /nfs/dbraw/zinc/12/63/29/565126329.db2.gz FVMMNHVPTMJDMX-UHFFFAOYSA-N -1 3 379.210 3.374 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2NC(C)=O)c1 ZINC000157281474 565127063 /nfs/dbraw/zinc/12/70/63/565127063.db2.gz DHBNOCLTBAUNDE-UHFFFAOYSA-N -1 3 379.210 3.374 20 0 GGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000292672976 565127958 /nfs/dbraw/zinc/12/79/58/565127958.db2.gz BEAAOAPXAORWQA-GFCCVEGCSA-N -1 3 380.413 3.350 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)s1 ZINC000267814370 565131366 /nfs/dbraw/zinc/13/13/66/565131366.db2.gz WNTNXPZICSFHQM-SECBINFHSA-N -1 3 390.889 3.216 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1Cl ZINC000157436797 565133038 /nfs/dbraw/zinc/13/30/38/565133038.db2.gz QQOOYCCZVPYKAJ-JTQLQIEISA-N -1 3 390.267 3.085 20 0 GGADHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCCCCC1 ZINC000184478045 565137249 /nfs/dbraw/zinc/13/72/49/565137249.db2.gz LVQBXOSMFIVWGI-AWEZNQCLSA-N -1 3 378.460 3.433 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cc(F)c(F)c(F)c1 ZINC000157586590 565137557 /nfs/dbraw/zinc/13/75/57/565137557.db2.gz YHXOZZMQQZQLOL-UHFFFAOYSA-N -1 3 379.743 3.329 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(N)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000370397773 565140185 /nfs/dbraw/zinc/14/01/85/565140185.db2.gz FJZUCHGLQDFLOZ-JTQLQIEISA-N -1 3 378.841 3.012 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1ccc(Br)cc1Cl ZINC000157665039 565141281 /nfs/dbraw/zinc/14/12/81/565141281.db2.gz OTGLPUMCKMUZRS-UHFFFAOYSA-N -1 3 396.734 3.324 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)Cc3ccc(Br)cc3)[n-]c21 ZINC000157774495 565144205 /nfs/dbraw/zinc/14/42/05/565144205.db2.gz QWYVHIURLYJCRH-UHFFFAOYSA-N -1 3 388.221 3.293 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(Br)cc3)nc21 ZINC000157774495 565144214 /nfs/dbraw/zinc/14/42/14/565144214.db2.gz QWYVHIURLYJCRH-UHFFFAOYSA-N -1 3 388.221 3.293 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000157793812 565144671 /nfs/dbraw/zinc/14/46/71/565144671.db2.gz LQUWXYMUCNQUBQ-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM O=C(NCCc1cc(Br)ccc1F)NCc1ccc([O-])c(F)c1 ZINC000157829949 565145138 /nfs/dbraw/zinc/14/51/38/565145138.db2.gz ODIWBVSVCSTHAI-UHFFFAOYSA-N -1 3 385.208 3.475 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)cc1F ZINC000157823810 565145241 /nfs/dbraw/zinc/14/52/41/565145241.db2.gz GQNYKLKYKAXCQY-GFCCVEGCSA-N -1 3 375.418 3.243 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C(C)(C)CCCNC(=O)OC(C)(C)C ZINC000293116950 565151057 /nfs/dbraw/zinc/15/10/57/565151057.db2.gz XTJSMYYPSSGKFK-UHFFFAOYSA-N -1 3 392.543 3.119 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)s1 ZINC000293095310 565151168 /nfs/dbraw/zinc/15/11/68/565151168.db2.gz NNDKRJOGGGGMHF-SECBINFHSA-N -1 3 382.898 3.396 20 0 GGADHM O=C(NCCOc1ccc(Br)cc1)NCc1ccc([O-])c(F)c1 ZINC000157988427 565152886 /nfs/dbraw/zinc/15/28/86/565152886.db2.gz HYXUWMOFGAULIO-UHFFFAOYSA-N -1 3 383.217 3.172 20 0 GGADHM CCC[C@]1(CO)CCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000293142560 565153043 /nfs/dbraw/zinc/15/30/43/565153043.db2.gz WRYLTKGLDQJJSA-WRFKIARRSA-N -1 3 398.297 3.188 20 0 GGADHM COCc1nc(SCC(=O)Nc2ccc(Br)cc2Cl)n[n-]1 ZINC000268456252 565153507 /nfs/dbraw/zinc/15/35/07/565153507.db2.gz CMFTVVXZBFTYNG-UHFFFAOYSA-N -1 3 391.678 3.098 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1sccc1OC ZINC000158030478 565154605 /nfs/dbraw/zinc/15/46/05/565154605.db2.gz TWMFRUHQRLXSBA-HNNXBMFYSA-N -1 3 390.914 3.331 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1sccc1OC ZINC000158030617 565154665 /nfs/dbraw/zinc/15/46/65/565154665.db2.gz TWMFRUHQRLXSBA-OAHLLOKOSA-N -1 3 390.914 3.331 20 0 GGADHM COCc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[n-]1 ZINC000268481689 565154977 /nfs/dbraw/zinc/15/49/77/565154977.db2.gz LEISWWMDOLSHQF-UHFFFAOYSA-N -1 3 380.779 3.354 20 0 GGADHM O=S(=O)([N-]c1cccnc1Cl)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184878385 565162817 /nfs/dbraw/zinc/16/28/17/565162817.db2.gz RHLPGQNPHUNDMX-LLVKDONJSA-N -1 3 386.832 3.090 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000158256131 565163069 /nfs/dbraw/zinc/16/30/69/565163069.db2.gz JCTJASCQNCJENB-HNNXBMFYSA-N -1 3 395.257 3.274 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc3c2N1CCC3 ZINC000184891994 565163774 /nfs/dbraw/zinc/16/37/74/565163774.db2.gz GNGWAAHTMREYFR-UHFFFAOYSA-N -1 3 380.828 3.115 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(F)ccc3Cl)cc3c2N1CCC3 ZINC000184896133 565164003 /nfs/dbraw/zinc/16/40/03/565164003.db2.gz RNJHGVNADYPKOK-UHFFFAOYSA-N -1 3 380.828 3.115 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000158318238 565166582 /nfs/dbraw/zinc/16/65/82/565166582.db2.gz SQWLCTAGEUHLMV-UHFFFAOYSA-N -1 3 392.786 3.260 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c(Cl)c1Cl ZINC000268802395 565168300 /nfs/dbraw/zinc/16/83/00/565168300.db2.gz QQYAOUVQTBRGBF-SECBINFHSA-N -1 3 376.265 3.081 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1O ZINC000158397063 565168652 /nfs/dbraw/zinc/16/86/52/565168652.db2.gz TWGRNGAVOTYWGL-UHFFFAOYSA-N -1 3 376.261 3.229 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000185037190 565172843 /nfs/dbraw/zinc/17/28/43/565172843.db2.gz DSMBHIZTXFFZFZ-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000185046114 565174467 /nfs/dbraw/zinc/17/44/67/565174467.db2.gz CSNRXNDLNIVTGP-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM O=C(Nc1cccc(O)c1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000158642738 565176627 /nfs/dbraw/zinc/17/66/27/565176627.db2.gz YVKSNQBGRVYOQV-UHFFFAOYSA-N -1 3 394.499 3.246 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(C(=O)NC2CC2)cc1 ZINC000158745323 565179750 /nfs/dbraw/zinc/17/97/50/565179750.db2.gz ZCUZQTRGUHEDRB-UHFFFAOYSA-N -1 3 375.222 3.299 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000158747340 565180412 /nfs/dbraw/zinc/18/04/12/565180412.db2.gz RSWGVFHKDJDIOE-OAHLLOKOSA-N -1 3 383.828 3.232 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000158810053 565183121 /nfs/dbraw/zinc/18/31/21/565183121.db2.gz FCXMQRURKCSWJX-OAHLLOKOSA-N -1 3 383.828 3.232 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1nc(C)cs1 ZINC000158805569 565183561 /nfs/dbraw/zinc/18/35/61/565183561.db2.gz ARZOJCVCYGOGHU-LBPRGKRZSA-N -1 3 388.898 3.321 20 0 GGADHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1sccc1OC ZINC000158806530 565183658 /nfs/dbraw/zinc/18/36/58/565183658.db2.gz WJJHQLQLCBOGKA-UHFFFAOYSA-N -1 3 375.899 3.330 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CC)CCC)cc1 ZINC000158805328 565183961 /nfs/dbraw/zinc/18/39/61/565183961.db2.gz VOJYYBLRRXOWDD-AWEZNQCLSA-N -1 3 376.544 3.085 20 0 GGADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000158838590 565185152 /nfs/dbraw/zinc/18/51/52/565185152.db2.gz WFNXIUHTPKOOST-NWDGAFQWSA-N -1 3 378.416 3.292 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CC1(CCOCc2ccccc2)CC1 ZINC000185186074 565185289 /nfs/dbraw/zinc/18/52/89/565185289.db2.gz SEJNSPOGVUPREW-UHFFFAOYSA-N -1 3 381.519 3.422 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cc(F)ccc1Br ZINC000269341684 565186750 /nfs/dbraw/zinc/18/67/50/565186750.db2.gz GNQQNFMGYANYPW-UHFFFAOYSA-N -1 3 391.287 3.401 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000269342907 565187123 /nfs/dbraw/zinc/18/71/23/565187123.db2.gz HBNQJXZFLQZBHB-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)sc1C ZINC000185206514 565187100 /nfs/dbraw/zinc/18/71/00/565187100.db2.gz PQUONHFAQHSJCU-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)s1 ZINC000159069957 565193372 /nfs/dbraw/zinc/19/33/72/565193372.db2.gz MGQYKATXVXSKSL-UHFFFAOYSA-N -1 3 386.926 3.251 20 0 GGADHM CC(=O)c1csc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)n1 ZINC000159164207 565196920 /nfs/dbraw/zinc/19/69/20/565196920.db2.gz CLGUJYWWSQODJJ-UHFFFAOYSA-N -1 3 392.483 3.492 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)no1 ZINC000269763408 565199941 /nfs/dbraw/zinc/19/99/41/565199941.db2.gz HWGUQVZGFNCJQK-UHFFFAOYSA-N -1 3 383.779 3.264 20 0 GGADHM Cc1oc2ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)cc2c1C ZINC000185411097 565200444 /nfs/dbraw/zinc/20/04/44/565200444.db2.gz RSVXVKAGNMANFW-LLVKDONJSA-N -1 3 378.475 3.417 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1 ZINC000269910934 565202015 /nfs/dbraw/zinc/20/20/15/565202015.db2.gz JSYPVOHBJQNXDT-UHFFFAOYSA-N -1 3 385.283 3.142 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C[C@H]1C ZINC000294246104 565203729 /nfs/dbraw/zinc/20/37/29/565203729.db2.gz CODIKPIKFYFUAK-RBSFLKMASA-N -1 3 384.567 3.090 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C[C@@H]1C ZINC000294246089 565204466 /nfs/dbraw/zinc/20/44/66/565204466.db2.gz CODIKPIKFYFUAK-ILXRZTDVSA-N -1 3 384.567 3.090 20 0 GGADHM CCC(CC)n1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000270108322 565208984 /nfs/dbraw/zinc/20/89/84/565208984.db2.gz FSCWNMUPKNDPRS-VWLOTQADSA-N -1 3 376.404 3.208 20 0 GGADHM CCC(CC)n1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000270108318 565209054 /nfs/dbraw/zinc/20/90/54/565209054.db2.gz FSCWNMUPKNDPRS-RUZDIDTESA-N -1 3 376.404 3.208 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1nnc2n1CCCCC2 ZINC000270227269 565212586 /nfs/dbraw/zinc/21/25/86/565212586.db2.gz URIMRMXDMCZQLL-AWEZNQCLSA-N -1 3 386.880 3.227 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2SCCS2)CC1 ZINC000270534513 565221110 /nfs/dbraw/zinc/22/11/10/565221110.db2.gz VOFWFTLVOQNUFO-UHFFFAOYSA-N -1 3 386.926 3.029 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1nccs1 ZINC000185820443 565222258 /nfs/dbraw/zinc/22/22/58/565222258.db2.gz QPTCQVCVEFKEFD-QMMMGPOBSA-N -1 3 379.276 3.127 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)s1 ZINC000270560317 565222714 /nfs/dbraw/zinc/22/27/14/565222714.db2.gz JLFSAXCYIWEHCD-MRVPVSSYSA-N -1 3 393.332 3.100 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000270560317 565222722 /nfs/dbraw/zinc/22/27/22/565222722.db2.gz JLFSAXCYIWEHCD-MRVPVSSYSA-N -1 3 393.332 3.100 20 0 GGADHM CCSCc1ccnc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000270560123 565222899 /nfs/dbraw/zinc/22/28/99/565222899.db2.gz KRJONDKZQPXQBU-UHFFFAOYSA-N -1 3 383.470 3.098 20 0 GGADHM CCC(=O)[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000185828491 565223454 /nfs/dbraw/zinc/22/34/54/565223454.db2.gz PMWQRYZWWVTSAE-HNNXBMFYSA-N -1 3 391.265 3.264 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccc(Br)cc1F ZINC000185853258 565224585 /nfs/dbraw/zinc/22/45/85/565224585.db2.gz LJHUNIONZQMWKH-GFCCVEGCSA-N -1 3 380.279 3.216 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)c1cccc(Cl)c1 ZINC000185862525 565226077 /nfs/dbraw/zinc/22/60/77/565226077.db2.gz WIIGDNMUIJAURX-KRWDZBQOSA-N -1 3 380.853 3.288 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185912844 565228541 /nfs/dbraw/zinc/22/85/41/565228541.db2.gz JBVJQARUOKBGHK-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM Cc1cn2c(n1)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000372251532 565228674 /nfs/dbraw/zinc/22/86/74/565228674.db2.gz KKQQABKEAJUQFZ-CYBMUJFWSA-N -1 3 393.285 3.036 20 0 GGADHM O=S(=O)([N-]C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1)c1cccs1 ZINC000270897306 565232276 /nfs/dbraw/zinc/23/22/76/565232276.db2.gz DVONYVBGESTNFT-UHFFFAOYSA-N -1 3 398.941 3.016 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1NS(C)(=O)=O ZINC000294899898 565234455 /nfs/dbraw/zinc/23/44/55/565234455.db2.gz ALGIJANEBPESMN-UHFFFAOYSA-N -1 3 380.491 3.045 20 0 GGADHM CC[C@H]1Cc2ccccc2CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000186038723 565236150 /nfs/dbraw/zinc/23/61/50/565236150.db2.gz DLZQRTFZCOPMMG-AWEZNQCLSA-N -1 3 398.937 3.043 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-][C@H]3CCC[C@@H](C(F)(F)F)C3)cc12 ZINC000186041158 565236966 /nfs/dbraw/zinc/23/69/66/565236966.db2.gz RGCUKZULMJYWOU-ZJUUUORDSA-N -1 3 377.388 3.185 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000186082546 565238211 /nfs/dbraw/zinc/23/82/11/565238211.db2.gz ANMHIPGFXBKSMT-UHFFFAOYSA-N -1 3 397.176 3.284 20 0 GGADHM CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000186059613 565238217 /nfs/dbraw/zinc/23/82/17/565238217.db2.gz WOMHQDHLUUDXNG-UHFFFAOYSA-N -1 3 395.955 3.048 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000186121137 565241001 /nfs/dbraw/zinc/24/10/01/565241001.db2.gz PPUIWRKTUAJTLI-LLVKDONJSA-N -1 3 388.536 3.190 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000186121120 565241324 /nfs/dbraw/zinc/24/13/24/565241324.db2.gz PPUIWRKTUAJTLI-NSHDSACASA-N -1 3 388.536 3.190 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000295058330 565243330 /nfs/dbraw/zinc/24/33/30/565243330.db2.gz BOZUYBOCCXZQKY-TUKIKUTGSA-N -1 3 381.391 3.150 20 0 GGADHM O=S(=O)([N-]Cc1ccco1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186167448 565243435 /nfs/dbraw/zinc/24/34/35/565243435.db2.gz ZZLWAOWPWHHDML-OAHLLOKOSA-N -1 3 385.869 3.359 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000186161646 565243727 /nfs/dbraw/zinc/24/37/27/565243727.db2.gz NHZZLKFBPKCUNF-JTQLQIEISA-N -1 3 378.841 3.012 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)sc1Br ZINC000186173065 565245081 /nfs/dbraw/zinc/24/50/81/565245081.db2.gz LZFLQCJWOIZQDW-LLVKDONJSA-N -1 3 382.345 3.447 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)c1nccs1 ZINC000295103284 565245341 /nfs/dbraw/zinc/24/53/41/565245341.db2.gz HJBLVKPKFQOXKY-SSDOTTSWSA-N -1 3 396.719 3.036 20 0 GGADHM CCCN(CC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271284324 565246367 /nfs/dbraw/zinc/24/63/67/565246367.db2.gz CUMNKVPHFGEPTR-UHFFFAOYSA-N -1 3 384.217 3.417 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)no1 ZINC000186218993 565247473 /nfs/dbraw/zinc/24/74/73/565247473.db2.gz TVPGWLKGGMMRTA-UHFFFAOYSA-N -1 3 376.837 3.261 20 0 GGADHM Cn1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc21 ZINC000186207561 565247544 /nfs/dbraw/zinc/24/75/44/565247544.db2.gz QJKKVXAYJAOTCW-UHFFFAOYSA-N -1 3 384.288 3.401 20 0 GGADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186290941 565252439 /nfs/dbraw/zinc/25/24/39/565252439.db2.gz AYTLSOPROZMUNG-LBPRGKRZSA-N -1 3 385.913 3.222 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000295264013 565255794 /nfs/dbraw/zinc/25/57/94/565255794.db2.gz YLKCDBLTWWKSCQ-ZDUSSCGKSA-N -1 3 394.440 3.222 20 0 GGADHM O=S(=O)([N-]CCCn1cccn1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186323786 565256259 /nfs/dbraw/zinc/25/62/59/565256259.db2.gz NMBIPKZNLAZCNV-UHFFFAOYSA-N -1 3 383.901 3.084 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c(Br)n1 ZINC000295275332 565256257 /nfs/dbraw/zinc/25/62/57/565256257.db2.gz KABPKLMNGVSITA-UHFFFAOYSA-N -1 3 395.278 3.472 20 0 GGADHM CCc1nnc(C[N-]C(=O)C(F)(F)c2ccccc2Br)s1 ZINC000295279904 565256284 /nfs/dbraw/zinc/25/62/84/565256284.db2.gz BGALOGPMSQTTHW-UHFFFAOYSA-N -1 3 376.226 3.271 20 0 GGADHM O=S(=O)(CCCCF)[N-]c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000295345755 565261390 /nfs/dbraw/zinc/26/13/90/565261390.db2.gz QFAPRPSHHYEPIJ-UHFFFAOYSA-N -1 3 389.445 3.150 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)s1 ZINC000271625693 565261425 /nfs/dbraw/zinc/26/14/25/565261425.db2.gz DXOOXRDPRSWHIV-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000186482295 565262932 /nfs/dbraw/zinc/26/29/32/565262932.db2.gz LABZWDKEQXQGAU-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000372985335 565263000 /nfs/dbraw/zinc/26/30/00/565263000.db2.gz WCIYPIMECNSFGA-UHFFFAOYSA-N -1 3 378.885 3.281 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccsc3Cl)cc2CC1 ZINC000372997614 565264389 /nfs/dbraw/zinc/26/43/89/565264389.db2.gz FVOXBDKQRZBMJL-UHFFFAOYSA-N -1 3 384.910 3.149 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3scnc3C)s2)cs1 ZINC000295561316 565274031 /nfs/dbraw/zinc/27/40/31/565274031.db2.gz TXNCMXZOSXJKSV-UHFFFAOYSA-N -1 3 385.561 3.466 20 0 GGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000186649083 565274530 /nfs/dbraw/zinc/27/45/30/565274530.db2.gz SUPNYAXHVCBKTR-IRXDYDNUSA-N -1 3 382.243 3.438 20 0 GGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186659523 565275488 /nfs/dbraw/zinc/27/54/88/565275488.db2.gz JKYGIDJSXITEBN-BFHYXJOUSA-N -1 3 375.918 3.468 20 0 GGADHM O=S(=O)([N-]Cc1ccoc1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186667357 565276413 /nfs/dbraw/zinc/27/64/13/565276413.db2.gz APKHEWFCLUJKKV-HNNXBMFYSA-N -1 3 385.869 3.359 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1nccs1 ZINC000186672374 565277231 /nfs/dbraw/zinc/27/72/31/565277231.db2.gz FHGPDCJRKWTUCJ-QMMMGPOBSA-N -1 3 379.276 3.127 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)c1nccs1 ZINC000186689435 565278352 /nfs/dbraw/zinc/27/83/52/565278352.db2.gz HQAMDCDTUZTABQ-MRVPVSSYSA-N -1 3 379.276 3.127 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000295647888 565278536 /nfs/dbraw/zinc/27/85/36/565278536.db2.gz QAZKZWFQXOCYFP-CYBMUJFWSA-N -1 3 377.491 3.330 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1nc(-c2ccccc2F)cs1 ZINC000373308864 565278971 /nfs/dbraw/zinc/27/89/71/565278971.db2.gz NNLGCGPYYXFUGJ-UHFFFAOYSA-N -1 3 384.479 3.498 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000186734388 565281583 /nfs/dbraw/zinc/28/15/83/565281583.db2.gz RZLGKXBVLZAKHC-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCOc2c(Br)cccc2C1 ZINC000373425265 565285286 /nfs/dbraw/zinc/28/52/86/565285286.db2.gz HLMNHMDHZKBNOI-UHFFFAOYSA-N -1 3 399.244 3.325 20 0 GGADHM CC(C)(C)OCc1cc(C(=O)[N-]c2nnc3ccc(Br)cn32)no1 ZINC000295842905 565289705 /nfs/dbraw/zinc/28/97/05/565289705.db2.gz JHXHUUDRSPUQMI-UHFFFAOYSA-N -1 3 394.229 3.047 20 0 GGADHM [O-]c1cc(F)cc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000373621327 565294778 /nfs/dbraw/zinc/29/47/78/565294778.db2.gz GFRCJRAEQDCEMT-UHFFFAOYSA-N -1 3 376.379 3.114 20 0 GGADHM COC(=O)c1ccc(F)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000161856063 565294957 /nfs/dbraw/zinc/29/49/57/565294957.db2.gz FWXZGNWLVWQVQU-UHFFFAOYSA-N -1 3 397.200 3.402 20 0 GGADHM Cc1nn(C)c2ncc(NC(=O)NCc3ccc([O-])c(Br)c3)cc12 ZINC000161840728 565295229 /nfs/dbraw/zinc/29/52/29/565295229.db2.gz PWCGYAUXQZISTG-UHFFFAOYSA-N -1 3 390.241 3.067 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cnc(C2OCCO2)s1 ZINC000296021801 565298691 /nfs/dbraw/zinc/29/86/91/565298691.db2.gz LEHGADAZPZBSNW-UHFFFAOYSA-N -1 3 385.239 3.217 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccn1 ZINC000161981459 565300126 /nfs/dbraw/zinc/30/01/26/565300126.db2.gz MIGVMKTUIWBZFB-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM Cc1cccc(C(=O)N2CCC(O)(c3scnc3Br)CC2)c1[O-] ZINC000373746501 565300630 /nfs/dbraw/zinc/30/06/30/565300630.db2.gz OHJUSAUPWQJDOE-UHFFFAOYSA-N -1 3 397.294 3.043 20 0 GGADHM CCOC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(C(C)C)cs2)cc1 ZINC000296109206 565302334 /nfs/dbraw/zinc/30/23/34/565302334.db2.gz DWEPRRMXAAWDRF-UHFFFAOYSA-N -1 3 382.507 3.063 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000296108993 565302404 /nfs/dbraw/zinc/30/24/04/565302404.db2.gz QAJOUFPNWZUREC-VIFPVBQESA-N -1 3 381.192 3.286 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C)c1ccccc1 ZINC000296128441 565302986 /nfs/dbraw/zinc/30/29/86/565302986.db2.gz YXIUNWIRGNOJDF-UUOWRZLLSA-N -1 3 381.519 3.003 20 0 GGADHM CCOC(=O)N1CCc2c(sc3[n-]c([C@@H]4CSCCS4)nc(=O)c23)C1 ZINC000273019262 565304979 /nfs/dbraw/zinc/30/49/79/565304979.db2.gz WRUCKXOKQWTFCF-NSHDSACASA-N -1 3 397.547 3.433 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273080906 565306678 /nfs/dbraw/zinc/30/66/78/565306678.db2.gz AJKLYRSINZKCSJ-LBPRGKRZSA-N -1 3 390.281 3.098 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000296253261 565309116 /nfs/dbraw/zinc/30/91/16/565309116.db2.gz LOQKPDAOCZLKQF-XHDPSFHLSA-N -1 3 384.885 3.290 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C(C)C)CC2)s1 ZINC000187102349 565309944 /nfs/dbraw/zinc/30/99/44/565309944.db2.gz LWGCUPTVMVICMP-KBPBESRZSA-N -1 3 387.571 3.060 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)s1 ZINC000187102380 565310256 /nfs/dbraw/zinc/31/02/56/565310256.db2.gz LWGCUPTVMVICMP-UONOGXRCSA-N -1 3 387.571 3.060 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(N(C)C)ccc1Br)c1nccs1 ZINC000162304310 565312377 /nfs/dbraw/zinc/31/23/77/565312377.db2.gz SZFXRESGGOSTET-VIFPVBQESA-N -1 3 390.328 3.011 20 0 GGADHM C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273229532 565312889 /nfs/dbraw/zinc/31/28/89/565312889.db2.gz MDAJAQJHUKMHIS-JTQLQIEISA-N -1 3 394.294 3.010 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2c[nH]nc2-c2ccc(Cl)s2)s1 ZINC000187156241 565313430 /nfs/dbraw/zinc/31/34/30/565313430.db2.gz GQCQJJPKDJECPO-UHFFFAOYSA-N -1 3 397.869 3.001 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000187174522 565314453 /nfs/dbraw/zinc/31/44/53/565314453.db2.gz IHSIPLULESHGGA-GDBMZVCRSA-N -1 3 387.929 3.348 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000296398409 565315771 /nfs/dbraw/zinc/31/57/71/565315771.db2.gz TUSSQBOBLGPNJY-ZDUSSCGKSA-N -1 3 387.477 3.450 20 0 GGADHM CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187260911 565319244 /nfs/dbraw/zinc/31/92/44/565319244.db2.gz PWOFDRJUDXJNFI-UHFFFAOYSA-N -1 3 375.918 3.206 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnc(Br)c(Br)c1 ZINC000162528758 565319777 /nfs/dbraw/zinc/31/97/77/565319777.db2.gz MOHJMCHDMWMOMY-VIFPVBQESA-N -1 3 395.051 3.186 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnc(Br)c(Br)c1 ZINC000162528758 565319784 /nfs/dbraw/zinc/31/97/84/565319784.db2.gz MOHJMCHDMWMOMY-VIFPVBQESA-N -1 3 395.051 3.186 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162561922 565321107 /nfs/dbraw/zinc/32/11/07/565321107.db2.gz DAVPTRHQWLRTEL-SSDOTTSWSA-N -1 3 395.225 3.372 20 0 GGADHM CCNC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000162612016 565322469 /nfs/dbraw/zinc/32/24/69/565322469.db2.gz LNSSCZBXHAZSPU-UHFFFAOYSA-N -1 3 392.253 3.226 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1nccs1 ZINC000273510692 565324063 /nfs/dbraw/zinc/32/40/63/565324063.db2.gz LSTFUMWKEMISBG-MRVPVSSYSA-N -1 3 379.276 3.127 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000162762680 565326987 /nfs/dbraw/zinc/32/69/87/565326987.db2.gz IQHNFPYUQICERC-YGRLFVJLSA-N -1 3 394.718 3.338 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccsc1Cl ZINC000187372914 565327442 /nfs/dbraw/zinc/32/74/42/565327442.db2.gz MJHPGQLIECRPJU-UHFFFAOYSA-N -1 3 389.658 3.125 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2nnc(C)s2)c(Cl)c1Cl ZINC000273645909 565328327 /nfs/dbraw/zinc/32/83/27/565328327.db2.gz VRKCFDPTEGIMEO-LURJTMIESA-N -1 3 382.294 3.201 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)c3nnc(C)s3)s2)cs1 ZINC000273652020 565328755 /nfs/dbraw/zinc/32/87/55/565328755.db2.gz WQWBAVLAKARXSE-SSDOTTSWSA-N -1 3 386.549 3.379 20 0 GGADHM COc1cc(C(=O)N2Cc3cccc(Br)c3C2)cc(OC)c1[O-] ZINC000187397888 565329866 /nfs/dbraw/zinc/32/98/66/565329866.db2.gz IDFJZNNEIWOWDI-UHFFFAOYSA-N -1 3 378.222 3.328 20 0 GGADHM COc1cc(CN[C@H]2CN(C)Cc3ccccc32)cc(Br)c1[O-] ZINC000374330796 565333080 /nfs/dbraw/zinc/33/30/80/565333080.db2.gz JCAJRIRBIOOUFH-INIZCTEOSA-N -1 3 377.282 3.440 20 0 GGADHM COc1ccc(CN2CCC(C3(C)OCCO3)CC2)c(Br)c1[O-] ZINC000273733160 565333372 /nfs/dbraw/zinc/33/33/72/565333372.db2.gz KROKCHZCVQGPQT-UHFFFAOYSA-N -1 3 386.286 3.138 20 0 GGADHM O=C(NCc1ccc2c(c1)OCCO2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187464924 565334742 /nfs/dbraw/zinc/33/47/42/565334742.db2.gz NJCBXRAHCUFXBM-UHFFFAOYSA-N -1 3 375.837 3.493 20 0 GGADHM COc1ccc(CN(C)Cc2nccn2C(F)F)c(Br)c1[O-] ZINC000273800648 565338068 /nfs/dbraw/zinc/33/80/68/565338068.db2.gz WWMAGXNJLOGPCG-UHFFFAOYSA-N -1 3 376.201 3.387 20 0 GGADHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187550306 565340734 /nfs/dbraw/zinc/34/07/34/565340734.db2.gz OLJMXPLOAJLVHC-ZDUSSCGKSA-N -1 3 385.913 3.224 20 0 GGADHM COC(=O)c1cnc(SCCC(=O)Nc2cccc(Br)c2)[n-]1 ZINC000187593238 565344377 /nfs/dbraw/zinc/34/43/77/565344377.db2.gz WQERUTIYDUVJKN-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1cccc(Cl)c1Cl ZINC000163397510 565344601 /nfs/dbraw/zinc/34/46/01/565344601.db2.gz CHLJNWYZDMGRNX-UHFFFAOYSA-N -1 3 387.292 3.276 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CCOC4(CCCC4)C3)cc21 ZINC000374585419 565346486 /nfs/dbraw/zinc/34/64/86/565346486.db2.gz MZLQPKSHRFBOCQ-CYBMUJFWSA-N -1 3 383.897 3.239 20 0 GGADHM CN(C)C(=O)c1ccnc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)c1 ZINC000163545656 565347503 /nfs/dbraw/zinc/34/75/03/565347503.db2.gz GBKBEAWVECRNAJ-UHFFFAOYSA-N -1 3 376.825 3.406 20 0 GGADHM O=C([O-])[C@]12CCC[C@H]1CN([C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000297003116 565350005 /nfs/dbraw/zinc/35/00/05/565350005.db2.gz PGHUWEARKKYEQI-POHZPAGDSA-N -1 3 383.275 3.285 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706851 565350317 /nfs/dbraw/zinc/35/03/17/565350317.db2.gz WAUUUSVCTJDBOW-HNNXBMFYSA-N -1 3 377.231 3.478 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706851 565350321 /nfs/dbraw/zinc/35/03/21/565350321.db2.gz WAUUUSVCTJDBOW-HNNXBMFYSA-N -1 3 377.231 3.478 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706851 565350324 /nfs/dbraw/zinc/35/03/24/565350324.db2.gz WAUUUSVCTJDBOW-HNNXBMFYSA-N -1 3 377.231 3.478 20 0 GGADHM CC(C)(CO)ON=C([O-])Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000297016262 565350418 /nfs/dbraw/zinc/35/04/18/565350418.db2.gz GTXDGLKWSQKTNN-UHFFFAOYSA-N -1 3 387.152 3.172 20 0 GGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000297016262 565350421 /nfs/dbraw/zinc/35/04/21/565350421.db2.gz GTXDGLKWSQKTNN-UHFFFAOYSA-N -1 3 387.152 3.172 20 0 GGADHM COCCn1cc2c(n1)[C@@H](NCc1cc([O-])ccc1Br)CCC2 ZINC000374712463 565351888 /nfs/dbraw/zinc/35/18/88/565351888.db2.gz CQOZWSUOCRMQBQ-INIZCTEOSA-N -1 3 380.286 3.165 20 0 GGADHM CO[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000163923492 565352380 /nfs/dbraw/zinc/35/23/80/565352380.db2.gz PIUKCXFNICATEI-MRXNPFEDSA-N -1 3 379.254 3.342 20 0 GGADHM O=C(NCc1nnc2n1CCCCC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187771146 565353641 /nfs/dbraw/zinc/35/36/41/565353641.db2.gz KSEZFLHFQDYOEX-UHFFFAOYSA-N -1 3 376.873 3.040 20 0 GGADHM CCS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)C1 ZINC000164014036 565354830 /nfs/dbraw/zinc/35/48/30/565354830.db2.gz HRPGDSISVKLJOY-NWDGAFQWSA-N -1 3 380.539 3.190 20 0 GGADHM CCCN(C(=O)C(=O)[N-]c1ncnn1C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000297113571 565356976 /nfs/dbraw/zinc/35/69/76/565356976.db2.gz WMCFCPJJROUHNG-SNVBAGLBSA-N -1 3 384.267 3.060 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nc3c(cccc3F)n2C)sc1Cl ZINC000187884615 565361487 /nfs/dbraw/zinc/36/14/87/565361487.db2.gz SQHCWIWTOLAABR-UHFFFAOYSA-N -1 3 387.889 3.257 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000297211478 565362246 /nfs/dbraw/zinc/36/22/46/565362246.db2.gz HCXYEAAUZRBHGF-INIZCTEOSA-N -1 3 395.297 3.255 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cncc(Br)c1 ZINC000274220357 565363459 /nfs/dbraw/zinc/36/34/59/565363459.db2.gz SIVJDIDTMWKJNF-GDBMZVCRSA-N -1 3 397.294 3.043 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2csc([C@@H]3CCCO3)n2)c1 ZINC000164829123 565364357 /nfs/dbraw/zinc/36/43/57/565364357.db2.gz RRBVCDFVEHHLOX-ZDUSSCGKSA-N -1 3 386.882 3.304 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3cccc(C)n3)CC2)sc1Cl ZINC000187971818 565368054 /nfs/dbraw/zinc/36/80/54/565368054.db2.gz VACCCROAHYRRNE-UHFFFAOYSA-N -1 3 385.942 3.361 20 0 GGADHM CCSCc1cc(C(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)no1 ZINC000274393864 565368493 /nfs/dbraw/zinc/36/84/93/565368493.db2.gz BVEUNDUTHGPWPI-UHFFFAOYSA-N -1 3 397.503 3.193 20 0 GGADHM O=C(CCc1nc2cc(Br)ccc2s1)[N-]OC[C@@H]1CCOC1 ZINC000187983388 565368492 /nfs/dbraw/zinc/36/84/92/565368492.db2.gz XXDOAEDILXIDNU-SNVBAGLBSA-N -1 3 385.283 3.076 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000187991948 565368826 /nfs/dbraw/zinc/36/88/26/565368826.db2.gz JIGLCRQUCKQGQW-CYBMUJFWSA-N -1 3 393.814 3.241 20 0 GGADHM Cc1nccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1Cl ZINC000165281554 565369635 /nfs/dbraw/zinc/36/96/35/565369635.db2.gz SLBLBXMPBGTBCH-UHFFFAOYSA-N -1 3 381.763 3.180 20 0 GGADHM CCCSc1nsc(NC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)n1 ZINC000274427013 565371351 /nfs/dbraw/zinc/37/13/51/565371351.db2.gz GBZUAOPFVOHJJI-UHFFFAOYSA-N -1 3 396.523 3.414 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cn1C ZINC000165976800 565371740 /nfs/dbraw/zinc/37/17/40/565371740.db2.gz SCFOMIIJKOADAJ-GHMZBOCLSA-N -1 3 375.416 3.218 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)Cc2c[nH]c3ccccc23)sc1Cl ZINC000188034005 565371914 /nfs/dbraw/zinc/37/19/14/565371914.db2.gz NEPUTBGIBNJEFL-LBPRGKRZSA-N -1 3 384.910 3.073 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3ccc(C)cn3)CC2)sc1Cl ZINC000188048287 565373172 /nfs/dbraw/zinc/37/31/72/565373172.db2.gz GLOFNHOJLMFEJL-UHFFFAOYSA-N -1 3 385.942 3.361 20 0 GGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188050490 565374459 /nfs/dbraw/zinc/37/44/59/565374459.db2.gz IPEMGVWJXQDYRW-UHFFFAOYSA-N -1 3 380.272 3.396 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc(Cl)ccc1I ZINC000297474224 565374633 /nfs/dbraw/zinc/37/46/33/565374633.db2.gz RROPWDMVZMEWAW-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(Cl)ccc1I ZINC000297474224 565374640 /nfs/dbraw/zinc/37/46/40/565374640.db2.gz RROPWDMVZMEWAW-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM CC(C)(CO)ON=C([O-])Nc1ccc(Br)cc1Br ZINC000297541482 565376410 /nfs/dbraw/zinc/37/64/10/565376410.db2.gz UNVITTWRCGZHCI-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(Br)cc1Br ZINC000297541482 565376413 /nfs/dbraw/zinc/37/64/13/565376413.db2.gz UNVITTWRCGZHCI-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H]1COc2ccccc21 ZINC000167547790 565378529 /nfs/dbraw/zinc/37/85/29/565378529.db2.gz TYIXGOPAIYBRIM-MWLCHTKSSA-N -1 3 388.308 3.354 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1COc2ccccc21 ZINC000167547585 565378584 /nfs/dbraw/zinc/37/85/84/565378584.db2.gz TYIXGOPAIYBRIM-KOLCDFICSA-N -1 3 388.308 3.354 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CCCCC3)C2)sc1Cl ZINC000188105000 565378798 /nfs/dbraw/zinc/37/87/98/565378798.db2.gz LCMJGXRNVZVCBT-ZDUSSCGKSA-N -1 3 390.958 3.169 20 0 GGADHM Cc1cc(C)c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1Br ZINC000188105614 565378954 /nfs/dbraw/zinc/37/89/54/565378954.db2.gz UUTQHXGBGFCSLG-UHFFFAOYSA-N -1 3 395.228 3.166 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2ccncc2C)cc1Cl ZINC000167720684 565379176 /nfs/dbraw/zinc/37/91/76/565379176.db2.gz OBGPTUIGKIUCDF-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CCCCC3)C2)sc1Cl ZINC000188104976 565379260 /nfs/dbraw/zinc/37/92/60/565379260.db2.gz LCMJGXRNVZVCBT-CYBMUJFWSA-N -1 3 390.958 3.169 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3ccncc3C)s2)cs1 ZINC000167703014 565379810 /nfs/dbraw/zinc/37/98/10/565379810.db2.gz OMZKORIAZPLWOZ-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000188132271 565381321 /nfs/dbraw/zinc/38/13/21/565381321.db2.gz IUXMUUSGQOWNRM-UHFFFAOYSA-N -1 3 378.256 3.072 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCCCSC)cc1OC ZINC000274811753 565381699 /nfs/dbraw/zinc/38/16/99/565381699.db2.gz NKFIULDLSNOXFE-UHFFFAOYSA-N -1 3 389.543 3.112 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C3CC3)n2)c(=O)[n-]1 ZINC000297687887 565382442 /nfs/dbraw/zinc/38/24/42/565382442.db2.gz FCRFIZGQRSVWHW-UHFFFAOYSA-N -1 3 391.269 3.405 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)sc1Cl ZINC000188138629 565382534 /nfs/dbraw/zinc/38/25/34/565382534.db2.gz HDTHSOXEKJBNRK-AWEZNQCLSA-N -1 3 398.937 3.037 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000169908497 565382603 /nfs/dbraw/zinc/38/26/03/565382603.db2.gz YPVMLVVPGCBKIQ-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)nc(Cl)c2)cc1OC ZINC000275001389 565387611 /nfs/dbraw/zinc/38/76/11/565387611.db2.gz DBMKVOJZUGMAJA-UHFFFAOYSA-N -1 3 383.857 3.066 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000188220456 565388400 /nfs/dbraw/zinc/38/84/00/565388400.db2.gz RDQSISUPKNETOQ-UHFFFAOYSA-N -1 3 392.213 3.100 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000188220456 565388405 /nfs/dbraw/zinc/38/84/05/565388405.db2.gz RDQSISUPKNETOQ-UHFFFAOYSA-N -1 3 392.213 3.100 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000188220456 565388409 /nfs/dbraw/zinc/38/84/09/565388409.db2.gz RDQSISUPKNETOQ-UHFFFAOYSA-N -1 3 392.213 3.100 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)sc1Cl ZINC000188234407 565389463 /nfs/dbraw/zinc/38/94/63/565389463.db2.gz XCRAURGDHKFPTA-CABZTGNLSA-N -1 3 391.864 3.472 20 0 GGADHM CC(C)(C)c1ncsc1C(=O)[N-]c1nc2cc(Br)ccn2n1 ZINC000297858605 565390238 /nfs/dbraw/zinc/39/02/38/565390238.db2.gz YJGYFIVJNAMYPS-UHFFFAOYSA-N -1 3 380.271 3.498 20 0 GGADHM CCOc1cc(CN2CCCN(c3nc(C)ns3)CC2)cc(Cl)c1[O-] ZINC000297858219 565390306 /nfs/dbraw/zinc/39/03/06/565390306.db2.gz OYOBBYXKWKLPFB-UHFFFAOYSA-N -1 3 382.917 3.317 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)C1 ZINC000188289611 565393276 /nfs/dbraw/zinc/39/32/76/565393276.db2.gz LGVVKVFMHFLGMZ-UHFFFAOYSA-N -1 3 382.309 3.486 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000188295375 565393545 /nfs/dbraw/zinc/39/35/45/565393545.db2.gz XFHFFMPDNNGZPN-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c(Cl)c1 ZINC000188337317 565395767 /nfs/dbraw/zinc/39/57/67/565395767.db2.gz LNVMZQVDEQAMMN-AWEZNQCLSA-N -1 3 376.906 3.030 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1cscn1 ZINC000170900106 565398123 /nfs/dbraw/zinc/39/81/23/565398123.db2.gz ISICVXBSOORLID-UHFFFAOYSA-N -1 3 393.412 3.105 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cnn(C)c2C)cc1Cl ZINC000170939700 565399469 /nfs/dbraw/zinc/39/94/69/565399469.db2.gz NVFJCUXVNDFXSH-QMMMGPOBSA-N -1 3 378.281 3.083 20 0 GGADHM CSCC1CCC(NC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000298098216 565399481 /nfs/dbraw/zinc/39/94/81/565399481.db2.gz MABCSEYHVGNPCM-UHFFFAOYSA-N -1 3 380.539 3.460 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cc2ccccc2s1 ZINC000170952572 565400660 /nfs/dbraw/zinc/40/06/60/565400660.db2.gz LAAKBTZLRUGLDS-LLVKDONJSA-N -1 3 380.516 3.119 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCc2nccn2C1)c1cc(C(F)(F)F)ccc1Cl ZINC000275335986 565403655 /nfs/dbraw/zinc/40/36/55/565403655.db2.gz QXNQFXYAPQCOJI-SNVBAGLBSA-N -1 3 393.818 3.096 20 0 GGADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188517785 565405712 /nfs/dbraw/zinc/40/57/12/565405712.db2.gz DEGGSTJWHJTXKL-VIFPVBQESA-N -1 3 392.834 3.406 20 0 GGADHM O=C(CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)NC1CCCCC1 ZINC000188506375 565405904 /nfs/dbraw/zinc/40/59/04/565405904.db2.gz QICFOHUSDUNOCO-UHFFFAOYSA-N -1 3 380.901 3.360 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCc2nccn2C1)c1c(Cl)cccc1C(F)(F)F ZINC000275364602 565406000 /nfs/dbraw/zinc/40/60/00/565406000.db2.gz WCKAMHVHRNZNIQ-SNVBAGLBSA-N -1 3 393.818 3.096 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2c(F)cccc2F)n1 ZINC000171061366 565406432 /nfs/dbraw/zinc/40/64/32/565406432.db2.gz RNYSMCAWWKNCNU-UHFFFAOYSA-N -1 3 375.282 3.478 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2c(F)cccc2F)n1 ZINC000171061366 565406437 /nfs/dbraw/zinc/40/64/37/565406437.db2.gz RNYSMCAWWKNCNU-UHFFFAOYSA-N -1 3 375.282 3.478 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000188547567 565408329 /nfs/dbraw/zinc/40/83/29/565408329.db2.gz GYLQBGZHBZRZMP-TVQRCGJNSA-N -1 3 389.798 3.241 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F ZINC000188557606 565408842 /nfs/dbraw/zinc/40/88/42/565408842.db2.gz QXSLEPKEGFADHK-HZMBPMFUSA-N -1 3 387.370 3.035 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(F)cc1F ZINC000188557553 565409144 /nfs/dbraw/zinc/40/91/44/565409144.db2.gz GDHOXOGCFRBUFN-YGRLFVJLSA-N -1 3 387.370 3.035 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F ZINC000188557631 565409174 /nfs/dbraw/zinc/40/91/74/565409174.db2.gz QXSLEPKEGFADHK-IINYFYTJSA-N -1 3 387.370 3.035 20 0 GGADHM O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1csc(=O)[n-]1 ZINC000375976209 565416406 /nfs/dbraw/zinc/41/64/06/565416406.db2.gz UXXNLZKOBHOSGX-SNVBAGLBSA-N -1 3 386.260 3.081 20 0 GGADHM O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1csc(=O)[n-]1 ZINC000375976204 565416900 /nfs/dbraw/zinc/41/69/00/565416900.db2.gz UXXNLZKOBHOSGX-JTQLQIEISA-N -1 3 386.260 3.081 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3sccc3[nH]2)cc1OC ZINC000188699929 565418516 /nfs/dbraw/zinc/41/85/16/565418516.db2.gz DBOLGEGXVDKLTE-UHFFFAOYSA-N -1 3 379.463 3.252 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000376065105 565420364 /nfs/dbraw/zinc/42/03/64/565420364.db2.gz FZZLOTSKVOWHCT-GFCCVEGCSA-N -1 3 396.262 3.054 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)s1 ZINC000275658166 565421751 /nfs/dbraw/zinc/42/17/51/565421751.db2.gz VEGNIBSTPBBGDX-UHFFFAOYSA-N -1 3 383.442 3.066 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc(F)ccc2Cl)CC1)c1cccs1 ZINC000188784410 565424306 /nfs/dbraw/zinc/42/43/06/565424306.db2.gz NTQJMDGOFCIBIV-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM O=C([N-]c1nc2c(s1)CSCC2)c1sccc1S(=O)(=O)C(F)F ZINC000376156883 565425341 /nfs/dbraw/zinc/42/53/41/565425341.db2.gz IFJOUVDZYZUDOI-UHFFFAOYSA-N -1 3 396.487 3.243 20 0 GGADHM O=C(CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)N1CCCCCC1 ZINC000188852166 565427754 /nfs/dbraw/zinc/42/77/54/565427754.db2.gz KLALMCCQKXSNGV-UHFFFAOYSA-N -1 3 380.901 3.314 20 0 GGADHM O=C(CCc1ccc(Cl)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000298773531 565428843 /nfs/dbraw/zinc/42/88/43/565428843.db2.gz SYKRVKOIEIOIAZ-UHFFFAOYSA-N -1 3 378.881 3.024 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1OCO2)c1ccc(F)cc1C(F)(F)F ZINC000171421816 565430861 /nfs/dbraw/zinc/43/08/61/565430861.db2.gz RNHNCOAQZHLNBA-UHFFFAOYSA-N -1 3 377.315 3.052 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1OCCC1CC1 ZINC000188901846 565431034 /nfs/dbraw/zinc/43/10/34/565431034.db2.gz VMHUTCMTVCTPMD-GDBMZVCRSA-N -1 3 387.929 3.348 20 0 GGADHM O=C([N-]c1nc2ccc(I)cc2s1)c1csnn1 ZINC000188961272 565435144 /nfs/dbraw/zinc/43/51/44/565435144.db2.gz WGUPZDHZLCQESA-UHFFFAOYSA-N -1 3 388.215 3.005 20 0 GGADHM C[C@@H](C[S@](C)=O)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000298949433 565435788 /nfs/dbraw/zinc/43/57/88/565435788.db2.gz OMDNRWXRTHUAGJ-VDBVYFBLSA-N -1 3 375.519 3.263 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(C)cs1 ZINC000171637851 565440795 /nfs/dbraw/zinc/44/07/95/565440795.db2.gz XYXXOPGDAZLZOU-CQSZACIVSA-N -1 3 379.507 3.156 20 0 GGADHM CCc1ccc(C(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)c([O-])c1 ZINC000189087369 565442391 /nfs/dbraw/zinc/44/23/91/565442391.db2.gz IVNSQDUDUNFQSS-MRXNPFEDSA-N -1 3 391.265 3.016 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)o1)c1ccc(Cl)cc1C(F)(F)F ZINC000189076024 565442727 /nfs/dbraw/zinc/44/27/27/565442727.db2.gz HCODCRICWCHEHC-UHFFFAOYSA-N -1 3 381.763 3.098 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2sccc2[nH]1 ZINC000189101074 565443236 /nfs/dbraw/zinc/44/32/36/565443236.db2.gz UWDCUTASYPIRQV-UHFFFAOYSA-N -1 3 379.438 3.062 20 0 GGADHM CCOC(CC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)OCC ZINC000276324102 565444550 /nfs/dbraw/zinc/44/45/50/565444550.db2.gz HOXVGIKHOQZYEU-UHFFFAOYSA-N -1 3 390.552 3.248 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C)cnc3Cl)cc2C[C@@H]1C ZINC000276365196 565446277 /nfs/dbraw/zinc/44/62/77/565446277.db2.gz NLKWFBWYJMABMJ-NSHDSACASA-N -1 3 379.869 3.142 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3c(Br)cc(C)cc3C2)on1 ZINC000189250608 565453605 /nfs/dbraw/zinc/45/36/05/565453605.db2.gz FAOZAPUCJWZWJN-GFCCVEGCSA-N -1 3 378.270 3.439 20 0 GGADHM O=S(=O)([N-]C1CCN(c2cccc(C(F)(F)F)n2)CC1)c1cccs1 ZINC000299566733 565455549 /nfs/dbraw/zinc/45/55/49/565455549.db2.gz YBWUOOVKYQIEHI-UHFFFAOYSA-N -1 3 391.440 3.109 20 0 GGADHM O=C(CCOCC(F)(F)C(F)F)NCc1ccc([O-])c(Br)c1 ZINC000276703736 565457427 /nfs/dbraw/zinc/45/74/27/565457427.db2.gz IOZFFLVBPISNNB-UHFFFAOYSA-N -1 3 388.155 3.078 20 0 GGADHM COc1c(Cl)cc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)[N-]C2=O)cc1Cl ZINC000299674504 565458676 /nfs/dbraw/zinc/45/86/76/565458676.db2.gz RKGYADUWZWRNGX-GMSGAONNSA-N -1 3 385.169 3.398 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc([S@@](C)=O)cc2)sc1Cl ZINC000276755331 565460046 /nfs/dbraw/zinc/46/00/46/565460046.db2.gz UCHUFBBDUUMNGV-LADRHHBVSA-N -1 3 377.940 3.487 20 0 GGADHM CC[C@H](C)c1nnc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)[nH]1 ZINC000276796824 565461076 /nfs/dbraw/zinc/46/10/76/565461076.db2.gz CCMYJCJJDWIVLY-UWVGGRQHSA-N -1 3 396.289 3.347 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)n[nH]1 ZINC000276796824 565461081 /nfs/dbraw/zinc/46/10/81/565461081.db2.gz CCMYJCJJDWIVLY-UWVGGRQHSA-N -1 3 396.289 3.347 20 0 GGADHM Cc1ncc(CN(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000172001172 565461914 /nfs/dbraw/zinc/46/19/14/565461914.db2.gz ABAQUDBCHIDRJL-UHFFFAOYSA-N -1 3 392.278 3.328 20 0 GGADHM CC(C)N1C(=S)N=NC1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189380821 565462668 /nfs/dbraw/zinc/46/26/68/565462668.db2.gz XSHCKUIUJKGOFC-UHFFFAOYSA-N -1 3 382.902 3.183 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nncn1-c1ccccc1 ZINC000172088606 565464510 /nfs/dbraw/zinc/46/45/10/565464510.db2.gz WGWNIVPLADJLBQ-UHFFFAOYSA-N -1 3 397.287 3.194 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377150753 565467703 /nfs/dbraw/zinc/46/77/03/565467703.db2.gz NNNUSTWHZQGJAV-JTQLQIEISA-N -1 3 378.219 3.375 20 0 GGADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377181470 565470353 /nfs/dbraw/zinc/47/03/53/565470353.db2.gz BXWUNAHAZXUMTQ-SNVBAGLBSA-N -1 3 378.219 3.375 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)N1CCCC[C@H]1C ZINC000189506151 565471054 /nfs/dbraw/zinc/47/10/54/565471054.db2.gz XQCCOOPRDSOTEO-GHMZBOCLSA-N -1 3 380.901 3.311 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000172198392 565471353 /nfs/dbraw/zinc/47/13/53/565471353.db2.gz OLCYAJPXJMFFEO-UHFFFAOYSA-N -1 3 375.837 3.049 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cccc2cccnc21 ZINC000172197433 565471775 /nfs/dbraw/zinc/47/17/75/565471775.db2.gz ZUMZMFRDVHYWFK-UHFFFAOYSA-N -1 3 376.821 3.460 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(Cl)c1Br ZINC000277045655 565473227 /nfs/dbraw/zinc/47/32/27/565473227.db2.gz KXQOSNWWSJHTCO-PWSUYJOCSA-N -1 3 394.718 3.338 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c(C)c1 ZINC000172266644 565475747 /nfs/dbraw/zinc/47/57/47/565475747.db2.gz MLTBIDOCHZESRS-DEOSSOPVSA-N -1 3 381.519 3.381 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000277087957 565475780 /nfs/dbraw/zinc/47/57/80/565475780.db2.gz RDQCBNHWRBPAEP-VIFPVBQESA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H](C)[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000172271880 565476098 /nfs/dbraw/zinc/47/60/98/565476098.db2.gz QTRIMEQBTBVOLQ-DYVFJYSZSA-N -1 3 380.535 3.102 20 0 GGADHM CC[C@H](C)[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000172271886 565476123 /nfs/dbraw/zinc/47/61/23/565476123.db2.gz QTRIMEQBTBVOLQ-GUYCJALGSA-N -1 3 380.535 3.102 20 0 GGADHM COC(=O)c1c(C)c(NC([O-])=NO[C@@H]2CCCCO2)ccc1Br ZINC000277134148 565478026 /nfs/dbraw/zinc/47/80/26/565478026.db2.gz GERKVYVRQBUKHL-GFCCVEGCSA-N -1 3 387.230 3.124 20 0 GGADHM COC(=O)c1c(Br)ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1C ZINC000277134148 565478029 /nfs/dbraw/zinc/47/80/29/565478029.db2.gz GERKVYVRQBUKHL-GFCCVEGCSA-N -1 3 387.230 3.124 20 0 GGADHM CCOCCOc1ccc(Br)cc1CNCC[C@@H](C)CC(=O)[O-] ZINC000277120778 565478118 /nfs/dbraw/zinc/47/81/18/565478118.db2.gz AXOJNUKQSFRYJA-CYBMUJFWSA-N -1 3 388.302 3.455 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)s1 ZINC000277141931 565479177 /nfs/dbraw/zinc/47/91/77/565479177.db2.gz KAJBDQCIIAWMNN-LURJTMIESA-N -1 3 396.719 3.302 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000189674216 565481041 /nfs/dbraw/zinc/48/10/41/565481041.db2.gz IYFJHRUBWQKFSD-UHFFFAOYSA-N -1 3 375.471 3.475 20 0 GGADHM O=[S@](Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1)C1CCCCC1 ZINC000172370052 565481361 /nfs/dbraw/zinc/48/13/61/565481361.db2.gz AGEMWTZWIHWVDS-MZNJEOGPSA-N -1 3 385.551 3.189 20 0 GGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000172364867 565481877 /nfs/dbraw/zinc/48/18/77/565481877.db2.gz DOGKFFIYPJQTML-SECBINFHSA-N -1 3 388.205 3.389 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(Br)cc1Cl ZINC000277195166 565482290 /nfs/dbraw/zinc/48/22/90/565482290.db2.gz GEBWSTIAXMNTRW-CQSZACIVSA-N -1 3 375.694 3.131 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000172379639 565482701 /nfs/dbraw/zinc/48/27/01/565482701.db2.gz BZGGQKSJYXPZSG-UHFFFAOYSA-N -1 3 376.821 3.476 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1cc(I)ccc1Cl ZINC000189723294 565484329 /nfs/dbraw/zinc/48/43/29/565484329.db2.gz LTSMUSQVFJJBJO-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cc(I)ccc1Cl ZINC000189723294 565484332 /nfs/dbraw/zinc/48/43/32/565484332.db2.gz LTSMUSQVFJJBJO-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1ccc(C(F)F)cc1 ZINC000377559040 565486168 /nfs/dbraw/zinc/48/61/68/565486168.db2.gz CAFGACIUXMJMTH-UHFFFAOYSA-N -1 3 385.783 3.054 20 0 GGADHM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1cc2n(n1)CCO2 ZINC000377648585 565491760 /nfs/dbraw/zinc/49/17/60/565491760.db2.gz VDNLDAKZYUHGFE-UHFFFAOYSA-N -1 3 393.881 3.325 20 0 GGADHM Cc1ccc(CN[C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])c(Br)c1 ZINC000277398006 565494627 /nfs/dbraw/zinc/49/46/27/565494627.db2.gz RUFZFSUPNCKVOX-HNNXBMFYSA-N -1 3 392.249 3.272 20 0 GGADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cc(Br)cs1 ZINC000277423248 565495819 /nfs/dbraw/zinc/49/58/19/565495819.db2.gz SYZMZOGLNIITBZ-AWEZNQCLSA-N -1 3 398.278 3.187 20 0 GGADHM CC[C@H](C)CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172660479 565497926 /nfs/dbraw/zinc/49/79/26/565497926.db2.gz PLEVHDKGWZIEDS-LBPRGKRZSA-N -1 3 388.917 3.072 20 0 GGADHM CC(C)c1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)s1 ZINC000172673974 565498170 /nfs/dbraw/zinc/49/81/70/565498170.db2.gz OHNXWQGEYPWXCP-UHFFFAOYSA-N -1 3 385.536 3.365 20 0 GGADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1sccc1Br ZINC000277498208 565501323 /nfs/dbraw/zinc/50/13/23/565501323.db2.gz XMAKVYNCFDCXEN-ZDUSSCGKSA-N -1 3 398.278 3.187 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)s1 ZINC000190021876 565501908 /nfs/dbraw/zinc/50/19/08/565501908.db2.gz IOEOOWOBHFLZOY-UHFFFAOYSA-N -1 3 393.303 3.394 20 0 GGADHM CC(C)N(C)CC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000277525452 565503572 /nfs/dbraw/zinc/50/35/72/565503572.db2.gz PKPLSMNVKIUYGC-UHFFFAOYSA-N -1 3 380.080 3.196 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1ccc(C)o1 ZINC000190041097 565504540 /nfs/dbraw/zinc/50/45/40/565504540.db2.gz MXWCXSUVQHBPES-AWEZNQCLSA-N -1 3 377.384 3.359 20 0 GGADHM [O-]c1ccc(CNc2cc(C(F)(F)F)nc3ncnn32)cc1Br ZINC000301718214 565506894 /nfs/dbraw/zinc/50/68/94/565506894.db2.gz YPHHCLDPUBVSBC-UHFFFAOYSA-N -1 3 388.147 3.223 20 0 GGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000172886897 565510505 /nfs/dbraw/zinc/51/05/05/565510505.db2.gz YLVKYYUIMQGNDV-UHFFFAOYSA-N -1 3 379.331 3.387 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000190139225 565511262 /nfs/dbraw/zinc/51/12/62/565511262.db2.gz LJVWZRVNLSLJAQ-UHFFFAOYSA-N -1 3 385.894 3.464 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1nc(C)cs1 ZINC000190146478 565511583 /nfs/dbraw/zinc/51/15/83/565511583.db2.gz DILFYTUDWBKKBJ-OAHLLOKOSA-N -1 3 388.536 3.212 20 0 GGADHM COCCN(Cc1sccc1Br)C(=O)c1ccc(O)cc1[O-] ZINC000190185233 565513860 /nfs/dbraw/zinc/51/38/60/565513860.db2.gz WNDUDMNXTUDCLT-UHFFFAOYSA-N -1 3 386.267 3.211 20 0 GGADHM Cc1c(Br)cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(=O)n1C ZINC000277772986 565518286 /nfs/dbraw/zinc/51/82/86/565518286.db2.gz PXZWSDNNJVJUPS-SNVBAGLBSA-N -1 3 391.265 3.316 20 0 GGADHM O=C(Cc1cc2c(cc1Br)OCCO2)Nc1cccc([O-])c1F ZINC000190350328 565523992 /nfs/dbraw/zinc/52/39/92/565523992.db2.gz QMHABLAUMDHGKR-UHFFFAOYSA-N -1 3 382.185 3.246 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1nc(C)cs1 ZINC000173121460 565529099 /nfs/dbraw/zinc/52/90/99/565529099.db2.gz XFTLEWASULXVJT-CQSZACIVSA-N -1 3 380.470 3.206 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cn1)C1CC1 ZINC000190414836 565529747 /nfs/dbraw/zinc/52/97/47/565529747.db2.gz CCRCNUQKAZPYCA-UHFFFAOYSA-N -1 3 383.832 3.165 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3cc(Br)cs3)CC2)n[n-]1 ZINC000277942413 565530648 /nfs/dbraw/zinc/53/06/48/565530648.db2.gz ZLUHHBKVDVOPTA-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3cc(Br)cs3)CC2)[n-]1 ZINC000277942413 565530654 /nfs/dbraw/zinc/53/06/54/565530654.db2.gz ZLUHHBKVDVOPTA-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM COc1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([O-])c1 ZINC000190440795 565532113 /nfs/dbraw/zinc/53/21/13/565532113.db2.gz ALXARUJDTLVBDR-IRXDYDNUSA-N -1 3 382.243 3.438 20 0 GGADHM COc1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([O-])c1 ZINC000190440814 565532139 /nfs/dbraw/zinc/53/21/39/565532139.db2.gz ALXARUJDTLVBDR-IAGOWNOFSA-N -1 3 382.243 3.438 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1nccs1 ZINC000173162943 565533195 /nfs/dbraw/zinc/53/31/95/565533195.db2.gz OMVHCOQGPQHHEN-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccn1 ZINC000190456354 565533516 /nfs/dbraw/zinc/53/35/16/565533516.db2.gz LWOFKQTYAZCNFQ-CHWSQXEVSA-N -1 3 384.885 3.188 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000190459295 565534435 /nfs/dbraw/zinc/53/44/35/565534435.db2.gz CGXYMXXHWGAHPT-GFCCVEGCSA-N -1 3 389.926 3.336 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1ccncc1 ZINC000173221682 565538428 /nfs/dbraw/zinc/53/84/28/565538428.db2.gz JTLMKCPLNGVKFN-AWEZNQCLSA-N -1 3 385.848 3.262 20 0 GGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)s1 ZINC000173228404 565539869 /nfs/dbraw/zinc/53/98/69/565539869.db2.gz VORMYQVMCGDYLQ-UHFFFAOYSA-N -1 3 378.866 3.195 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000379719917 565539934 /nfs/dbraw/zinc/53/99/34/565539934.db2.gz XBWFVORFHWSIRQ-UHFFFAOYSA-N -1 3 383.105 3.433 20 0 GGADHM Cc1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc(C)c1Br ZINC000190534217 565540193 /nfs/dbraw/zinc/54/01/93/565540193.db2.gz GNXSBIAFPWDLDT-UHFFFAOYSA-N -1 3 395.228 3.166 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000190531753 565540259 /nfs/dbraw/zinc/54/02/59/565540259.db2.gz AAJPTVOGTQXGFI-UHFFFAOYSA-N -1 3 393.889 3.087 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)sc2C)o1 ZINC000380674883 565540349 /nfs/dbraw/zinc/54/03/49/565540349.db2.gz XXFHSWPJULIXES-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cn1C ZINC000190561545 565541499 /nfs/dbraw/zinc/54/14/99/565541499.db2.gz WVXADXLUMSRKNH-UHFFFAOYSA-N -1 3 393.818 3.368 20 0 GGADHM CCc1nnc([N-]C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)s1 ZINC000278138463 565542216 /nfs/dbraw/zinc/54/22/16/565542216.db2.gz AKYHSNDGHOUURL-UHFFFAOYSA-N -1 3 376.463 3.494 20 0 GGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000173310896 565546978 /nfs/dbraw/zinc/54/69/78/565546978.db2.gz BDWOESVWIINGFH-UHFFFAOYSA-N -1 3 379.379 3.108 20 0 GGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1nc(C2CCCCC2)cs1 ZINC000278256167 565547085 /nfs/dbraw/zinc/54/70/85/565547085.db2.gz MWSREBOEBDEWOP-UHFFFAOYSA-N -1 3 384.527 3.262 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)c1nc(C)cs1 ZINC000190625668 565547163 /nfs/dbraw/zinc/54/71/63/565547163.db2.gz CYCSHRKYRVJAPH-ZDUSSCGKSA-N -1 3 388.486 3.045 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302594862 565547431 /nfs/dbraw/zinc/54/74/31/565547431.db2.gz XCUWQCBQNDXMAA-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1c(Cl)cccc1Br ZINC000386403962 565548080 /nfs/dbraw/zinc/54/80/80/565548080.db2.gz WNDZUWYYXMQRSC-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM CCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Br ZINC000278266795 565548940 /nfs/dbraw/zinc/54/89/40/565548940.db2.gz YDVOLSSQCQRWEY-SECBINFHSA-N -1 3 381.148 3.225 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c1 ZINC000173350764 565550732 /nfs/dbraw/zinc/55/07/32/565550732.db2.gz JBXHZQIPAQDYRY-UHFFFAOYSA-N -1 3 378.837 3.482 20 0 GGADHM O=C(NCCCNc1ncc(Br)cc1Cl)c1cccc([O-])c1 ZINC000302703365 565551125 /nfs/dbraw/zinc/55/11/25/565551125.db2.gz BQTIFECZAMWYNR-UHFFFAOYSA-N -1 3 384.661 3.435 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Br)cc2)o1 ZINC000173352681 565551344 /nfs/dbraw/zinc/55/13/44/565551344.db2.gz PFRAIIBGRLDEQZ-AWEZNQCLSA-N -1 3 388.283 3.271 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000190680727 565551862 /nfs/dbraw/zinc/55/18/62/565551862.db2.gz KURKWHNFQUTWMN-LBPRGKRZSA-N -1 3 387.498 3.130 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190709243 565552586 /nfs/dbraw/zinc/55/25/86/565552586.db2.gz YPJJAWHATUTVTE-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCOC1 ZINC000389195232 565552904 /nfs/dbraw/zinc/55/29/04/565552904.db2.gz OJVAFQGJTWUBIO-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000389082340 565553144 /nfs/dbraw/zinc/55/31/44/565553144.db2.gz ZBNBHODUWXUPAB-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCOC1 ZINC000389197981 565553348 /nfs/dbraw/zinc/55/33/48/565553348.db2.gz PEWQLYHLSHZJNR-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190709189 565553277 /nfs/dbraw/zinc/55/32/77/565553277.db2.gz YPJJAWHATUTVTE-ZBFHGGJFSA-N -1 3 387.929 3.348 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190711291 565554042 /nfs/dbraw/zinc/55/40/42/565554042.db2.gz XSSAUIAVHLHQRO-UHFFFAOYSA-N -1 3 386.926 3.496 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)c1nc(C)cs1 ZINC000173377266 565554203 /nfs/dbraw/zinc/55/42/03/565554203.db2.gz LOTQWZKNUMYGNZ-KRWDZBQOSA-N -1 3 382.507 3.150 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000190715699 565554286 /nfs/dbraw/zinc/55/42/86/565554286.db2.gz KBPFBJSEPJZEDO-CYBMUJFWSA-N -1 3 387.498 3.070 20 0 GGADHM O=S(=O)([N-]c1ccc2nccnc2c1Br)c1cccc(F)c1 ZINC000389828399 565555066 /nfs/dbraw/zinc/55/50/66/565555066.db2.gz UGPGGNQGMQLYKW-UHFFFAOYSA-N -1 3 382.214 3.332 20 0 GGADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1ccc(Br)s1 ZINC000190727841 565555097 /nfs/dbraw/zinc/55/50/97/565555097.db2.gz PFIOUKNBHFGUPB-JTQLQIEISA-N -1 3 392.271 3.452 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCOCc2ccccc2)sc1Br ZINC000390288557 565556035 /nfs/dbraw/zinc/55/60/35/565556035.db2.gz WBLYAAYTANVPJS-UHFFFAOYSA-N -1 3 390.324 3.314 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1c(OC)cccc1OC)c1ccc(Cl)cc1 ZINC000278408653 565556611 /nfs/dbraw/zinc/55/66/11/565556611.db2.gz OVEZDPIQLKNJGI-AWEZNQCLSA-N -1 3 385.869 3.023 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000390644883 565557912 /nfs/dbraw/zinc/55/79/12/565557912.db2.gz IDOCSRDJNHALML-HNNXBMFYSA-N -1 3 378.222 3.136 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1ccc(Br)s1 ZINC000173535792 565564204 /nfs/dbraw/zinc/56/42/04/565564204.db2.gz QIEVPBATWNUJTK-WDEREUQCSA-N -1 3 390.328 3.169 20 0 GGADHM CCC[C@@H]1CCc2nc(NC(=O)C[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000302973757 565564559 /nfs/dbraw/zinc/56/45/59/565564559.db2.gz BRSMXIYTVLICTE-LLVKDONJSA-N -1 3 399.563 3.027 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000190868712 565565329 /nfs/dbraw/zinc/56/53/29/565565329.db2.gz YTLARJAUYWIHSV-AWEZNQCLSA-N -1 3 385.482 3.268 20 0 GGADHM Cc1cncc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000190868484 565565875 /nfs/dbraw/zinc/56/58/75/565565875.db2.gz RNNMQNAUXMHILQ-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303140361 565567500 /nfs/dbraw/zinc/56/75/00/565567500.db2.gz DLYUNEJEGIASAE-RYUDHWBXSA-N -1 3 378.947 3.155 20 0 GGADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)c2ncc(C)s2)c(C)c1Cl ZINC000278587139 565567550 /nfs/dbraw/zinc/56/75/50/565567550.db2.gz AHFMUORLGYPGEA-QMMMGPOBSA-N -1 3 394.927 3.301 20 0 GGADHM CCCN(CC1CCCCC1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303117472 565567592 /nfs/dbraw/zinc/56/75/92/565567592.db2.gz PBNVIJMGXFIKJI-UHFFFAOYSA-N -1 3 392.974 3.499 20 0 GGADHM CCC1CCC(N(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C2CC2)CC1 ZINC000303054961 565567716 /nfs/dbraw/zinc/56/77/16/565567716.db2.gz KCQGHOLUYJHBGA-NFOMZHRRSA-N -1 3 384.567 3.375 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Cl ZINC000303181558 565568160 /nfs/dbraw/zinc/56/81/60/565568160.db2.gz KJSNSNIREPWYHH-INIZCTEOSA-N -1 3 382.888 3.422 20 0 GGADHM Cc1cc(C)cc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000303264888 565568510 /nfs/dbraw/zinc/56/85/10/565568510.db2.gz FCDTVOFEBOQNJV-LBPRGKRZSA-N -1 3 386.926 3.174 20 0 GGADHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000393537649 565568788 /nfs/dbraw/zinc/56/87/88/565568788.db2.gz MJIVOHKQQHIUFI-UHFFFAOYSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000394329017 565569735 /nfs/dbraw/zinc/56/97/35/565569735.db2.gz MPLNRDMPCTXSKZ-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c([O-])c1 ZINC000303448978 565570187 /nfs/dbraw/zinc/57/01/87/565570187.db2.gz DNQDPWYOVDYLRZ-CYBMUJFWSA-N -1 3 375.266 3.472 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000173604785 565570434 /nfs/dbraw/zinc/57/04/34/565570434.db2.gz KGNZMTFULLOVDT-SNVBAGLBSA-N -1 3 377.329 3.149 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000173608855 565570530 /nfs/dbraw/zinc/57/05/30/565570530.db2.gz XZAXMQYQEPSCJF-LLVKDONJSA-N -1 3 378.391 3.483 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000173606854 565571024 /nfs/dbraw/zinc/57/10/24/565571024.db2.gz BHZGTBFTRLIKIJ-LLVKDONJSA-N -1 3 389.290 3.226 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(C)c1Br ZINC000190971208 565573358 /nfs/dbraw/zinc/57/33/58/565573358.db2.gz JSZSPQBZKZINGZ-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000303845250 565575246 /nfs/dbraw/zinc/57/52/46/565575246.db2.gz UBBAKJCUVVOGOX-ZBFHGGJFSA-N -1 3 388.555 3.085 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000278764433 565576542 /nfs/dbraw/zinc/57/65/42/565576542.db2.gz KMLMKRSSGDWXNI-UKRRQHHQSA-N -1 3 383.897 3.182 20 0 GGADHM O=C([N-]CC(F)(F)F)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000278752699 565576637 /nfs/dbraw/zinc/57/66/37/565576637.db2.gz ZVPYTQAIYQCTCW-UHFFFAOYSA-N -1 3 393.081 3.085 20 0 GGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl ZINC000191007413 565577205 /nfs/dbraw/zinc/57/72/05/565577205.db2.gz LRWJEFMBSWJHFH-UHFFFAOYSA-N -1 3 377.857 3.240 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000278831930 565579651 /nfs/dbraw/zinc/57/96/51/565579651.db2.gz QRMMNZNFEUWQHS-RULNZOCKSA-N -1 3 387.910 3.126 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000278831919 565579872 /nfs/dbraw/zinc/57/98/72/565579872.db2.gz QRMMNZNFEUWQHS-BSNNYGBQSA-N -1 3 387.910 3.126 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1ccc(Cl)c(Br)c1 ZINC000401377068 565580182 /nfs/dbraw/zinc/58/01/82/565580182.db2.gz JQDUUOULAVSYJX-SNVBAGLBSA-N -1 3 382.707 3.198 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000401429869 565580644 /nfs/dbraw/zinc/58/06/44/565580644.db2.gz UCBKYBGBQWNYEX-SNVBAGLBSA-N -1 3 382.707 3.198 20 0 GGADHM COC(=O)c1sc(S(=O)(=O)[N-]C(C)(C)c2nccs2)c(C)c1Cl ZINC000278855488 565582076 /nfs/dbraw/zinc/58/20/76/565582076.db2.gz QRQDJGDNHFFJSL-UHFFFAOYSA-N -1 3 394.927 3.167 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(CN(C)C)ccc1C ZINC000191108240 565582501 /nfs/dbraw/zinc/58/25/01/565582501.db2.gz IQWLGNCSVZUZJQ-UHFFFAOYSA-N -1 3 382.507 3.014 20 0 GGADHM C[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Br)s1 ZINC000173750849 565582807 /nfs/dbraw/zinc/58/28/07/565582807.db2.gz FQSZMYUSEOXYGK-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Br)s1 ZINC000173750849 565582812 /nfs/dbraw/zinc/58/28/12/565582812.db2.gz FQSZMYUSEOXYGK-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Br)s1 ZINC000173750849 565582818 /nfs/dbraw/zinc/58/28/18/565582818.db2.gz FQSZMYUSEOXYGK-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C[C@H](O)c1cccs1 ZINC000278899329 565583748 /nfs/dbraw/zinc/58/37/48/565583748.db2.gz YGFYDNCQTFFOJO-PWSUYJOCSA-N -1 3 375.899 3.201 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cscc2Br)ccc1F ZINC000404761313 565583745 /nfs/dbraw/zinc/58/37/45/565583745.db2.gz ACQUHKUOHCZYQR-UHFFFAOYSA-N -1 3 393.259 3.274 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cscc1Br ZINC000404889237 565583830 /nfs/dbraw/zinc/58/38/30/565583830.db2.gz HJNOPHQPVCEWTM-UHFFFAOYSA-N -1 3 375.269 3.134 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCOCC1 ZINC000313847349 565584372 /nfs/dbraw/zinc/58/43/72/565584372.db2.gz GSXPDLYSXLTRNH-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000313517861 565584479 /nfs/dbraw/zinc/58/44/79/565584479.db2.gz NNRCBYWYWPWNMW-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCOCC1 ZINC000313908881 565584568 /nfs/dbraw/zinc/58/45/68/565584568.db2.gz TUTJXLIMXWCRMG-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc(Br)cc1Cl ZINC000314383848 565586101 /nfs/dbraw/zinc/58/61/01/565586101.db2.gz ACKORAQHPMKLJY-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)o1 ZINC000314818479 565588638 /nfs/dbraw/zinc/58/86/38/565588638.db2.gz VWLPEUZTBFCGNL-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000173805342 565588815 /nfs/dbraw/zinc/58/88/15/565588815.db2.gz ALMCEAQUHOXVON-NSHDSACASA-N -1 3 394.287 3.316 20 0 GGADHM O=S(=O)([N-]Cc1cccc2ccccc21)c1cncc(Br)c1 ZINC000314941318 565589089 /nfs/dbraw/zinc/58/90/89/565589089.db2.gz UBEHNGRPALYAGD-UHFFFAOYSA-N -1 3 377.263 3.476 20 0 GGADHM C[C@H]1OCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H]1C ZINC000407996236 565589387 /nfs/dbraw/zinc/58/93/87/565589387.db2.gz PRKNDZQCOLPFST-RKDXNWHRSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@H]1OCCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])[C@@H]1C ZINC000407996236 565589391 /nfs/dbraw/zinc/58/93/91/565589391.db2.gz PRKNDZQCOLPFST-RKDXNWHRSA-N -1 3 399.672 3.193 20 0 GGADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cncc(Br)c1 ZINC000315343947 565590612 /nfs/dbraw/zinc/59/06/12/565590612.db2.gz KPHCTKOLMHJTLH-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)sc1Br ZINC000408087049 565592805 /nfs/dbraw/zinc/59/28/05/565592805.db2.gz BMBBSGLHNYBLNL-WDEREUQCSA-N -1 3 382.345 3.301 20 0 GGADHM Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000279105203 565596056 /nfs/dbraw/zinc/59/60/56/565596056.db2.gz WIWBSRNUSWGLFB-AWEZNQCLSA-N -1 3 395.257 3.061 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1ccc(Br)c(F)c1 ZINC000318472619 565596427 /nfs/dbraw/zinc/59/64/27/565596427.db2.gz YLNCDKQJWUQIKK-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C(C)(C)O1 ZINC000408133155 565596458 /nfs/dbraw/zinc/59/64/58/565596458.db2.gz NWKXVRQMLAEJBJ-GFCCVEGCSA-N -1 3 380.279 3.213 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000318532053 565597431 /nfs/dbraw/zinc/59/74/31/565597431.db2.gz FILNYNIWDIDZLG-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCO1 ZINC000408193122 565598310 /nfs/dbraw/zinc/59/83/10/565598310.db2.gz QYJQNLSQHHLJTA-JTQLQIEISA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cc(Br)cc2c1OCC2 ZINC000408212286 565599263 /nfs/dbraw/zinc/59/92/63/565599263.db2.gz VOWONBYLMLAEQQ-UHFFFAOYSA-N -1 3 396.253 3.240 20 0 GGADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H](C)CO1 ZINC000408274074 565601863 /nfs/dbraw/zinc/60/18/63/565601863.db2.gz ITUGLCGMEJJTEZ-DTWKUNHWSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])[C@@H](C)CO1 ZINC000408274074 565601869 /nfs/dbraw/zinc/60/18/69/565601869.db2.gz ITUGLCGMEJJTEZ-DTWKUNHWSA-N -1 3 399.672 3.193 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000173978666 565603969 /nfs/dbraw/zinc/60/39/69/565603969.db2.gz CEHYPSDFEHPGBP-UHFFFAOYSA-N -1 3 382.869 3.428 20 0 GGADHM CCc1cc(=O)[n-]c(CN(CCOC)Cc2sccc2Br)n1 ZINC000191433053 565604139 /nfs/dbraw/zinc/60/41/39/565604139.db2.gz ROXUDUDUHNQEAT-UHFFFAOYSA-N -1 3 386.315 3.217 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)ccc1[O-] ZINC000321033518 565604225 /nfs/dbraw/zinc/60/42/25/565604225.db2.gz DFRRXTNGNQEOOT-UHFFFAOYSA-N -1 3 376.217 3.286 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccccc2Br)c1 ZINC000173983076 565604324 /nfs/dbraw/zinc/60/43/24/565604324.db2.gz WZPKTEPZFUMRMY-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000174039030 565609124 /nfs/dbraw/zinc/60/91/24/565609124.db2.gz OSZKZRBKGZDZBY-SECBINFHSA-N -1 3 377.388 3.425 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000174039949 565609551 /nfs/dbraw/zinc/60/95/51/565609551.db2.gz SOMQJKFHSWTLQH-SECBINFHSA-N -1 3 377.388 3.425 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000279511295 565616372 /nfs/dbraw/zinc/61/63/72/565616372.db2.gz QILQPYVHPSQKLL-QMMMGPOBSA-N -1 3 399.163 3.437 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1[O-] ZINC000325291548 565620556 /nfs/dbraw/zinc/62/05/56/565620556.db2.gz RKVQEBTZLHUZSI-UHFFFAOYSA-N -1 3 394.207 3.426 20 0 GGADHM Cc1c(Br)cccc1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000191718416 565624552 /nfs/dbraw/zinc/62/45/52/565624552.db2.gz IAFKLLKGAGDLJZ-UHFFFAOYSA-N -1 3 397.294 3.310 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000191723953 565625569 /nfs/dbraw/zinc/62/55/69/565625569.db2.gz DYOLJROXLOIMFQ-UHFFFAOYSA-N -1 3 376.438 3.315 20 0 GGADHM CC(=O)c1c[nH]c(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)c1 ZINC000409579901 565626145 /nfs/dbraw/zinc/62/61/45/565626145.db2.gz YIUWGGBKQLYKJL-UHFFFAOYSA-N -1 3 392.188 3.156 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000327385324 565630576 /nfs/dbraw/zinc/63/05/76/565630576.db2.gz HEXZLSFYTIWHJM-CYBMUJFWSA-N -1 3 393.814 3.241 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000327635089 565632378 /nfs/dbraw/zinc/63/23/78/565632378.db2.gz QTEDWTIZRSFXOZ-AWEZNQCLSA-N -1 3 381.450 3.128 20 0 GGADHM Cc1ccc(CN2CC[C@@H](NCc3cc([O-])ccc3Br)C2=O)cc1 ZINC000191804793 565633014 /nfs/dbraw/zinc/63/30/14/565633014.db2.gz PUFRRRNXZZLUAI-GOSISDBHSA-N -1 3 389.293 3.354 20 0 GGADHM CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000279807912 565635490 /nfs/dbraw/zinc/63/54/90/565635490.db2.gz FLQZBEDKIXHSDQ-ZBFHGGJFSA-N -1 3 384.567 3.234 20 0 GGADHM C[C@@H]1C[C@H]1[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000174472199 565637703 /nfs/dbraw/zinc/63/77/03/565637703.db2.gz FHRWMKIOZCTOSP-JDSLSITLSA-N -1 3 398.937 3.193 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1nnc2ccccn21 ZINC000191862330 565638092 /nfs/dbraw/zinc/63/80/92/565638092.db2.gz WGSFALOWOZSMBM-QMMMGPOBSA-N -1 3 389.239 3.215 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cs1 ZINC000279900923 565639539 /nfs/dbraw/zinc/63/95/39/565639539.db2.gz VCRZNANGURZQIO-QMMMGPOBSA-N -1 3 396.412 3.070 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(CN3CCCC3=O)c2)sc1Cl ZINC000191882381 565640072 /nfs/dbraw/zinc/64/00/72/565640072.db2.gz NMKDDDSBJHPLTL-UHFFFAOYSA-N -1 3 398.937 3.311 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1c(Cl)cccc1Br ZINC000328806319 565641884 /nfs/dbraw/zinc/64/18/84/565641884.db2.gz NITSJMRHOMKLLZ-ZWKOPEQDSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-]C1CCN(CC2CC2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000191902780 565641909 /nfs/dbraw/zinc/64/19/09/565641909.db2.gz FEDNEDDLURWZDG-UHFFFAOYSA-N -1 3 381.300 3.285 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c(Cl)cccc1Br ZINC000328806316 565642023 /nfs/dbraw/zinc/64/20/23/565642023.db2.gz NITSJMRHOMKLLZ-WQAKAFBOSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1c(Cl)cccc1Br ZINC000328805959 565642132 /nfs/dbraw/zinc/64/21/32/565642132.db2.gz NITSJMRHOMKLLZ-OASPWFOLSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2cc(F)c(Br)cc21)c1cccs1 ZINC000409830750 565642545 /nfs/dbraw/zinc/64/25/45/565642545.db2.gz LENVEEDYNGNFTF-SNVBAGLBSA-N -1 3 378.244 3.062 20 0 GGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cncc(Br)c2)[n-]1 ZINC000191962161 565645388 /nfs/dbraw/zinc/64/53/88/565645388.db2.gz WXPMVHJGUPWHPL-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)c2cncc(Br)c2)c(C(=O)OCC)[n-]1 ZINC000191962161 565645393 /nfs/dbraw/zinc/64/53/93/565645393.db2.gz WXPMVHJGUPWHPL-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC12CCCCC2 ZINC000328888750 565646247 /nfs/dbraw/zinc/64/62/47/565646247.db2.gz PUYWTZYHDZMMEB-UHFFFAOYSA-N -1 3 376.931 3.005 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000191998889 565648282 /nfs/dbraw/zinc/64/82/82/565648282.db2.gz IYDFFCBMGFHQDV-CYBMUJFWSA-N -1 3 378.866 3.097 20 0 GGADHM COC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccco1 ZINC000174631916 565648472 /nfs/dbraw/zinc/64/84/72/565648472.db2.gz MYDLKLLVLVHHJE-CQSZACIVSA-N -1 3 391.221 3.001 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000409920272 565648971 /nfs/dbraw/zinc/64/89/71/565648971.db2.gz FFXBJPDLRPLGBT-UHFFFAOYSA-N -1 3 396.822 3.184 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c1 ZINC000280069757 565650596 /nfs/dbraw/zinc/65/05/96/565650596.db2.gz PQRAWWATKASVGR-CQSZACIVSA-N -1 3 381.885 3.022 20 0 GGADHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000174678421 565650914 /nfs/dbraw/zinc/65/09/14/565650914.db2.gz DQXWHQKFCGTTFK-UHFFFAOYSA-N -1 3 392.424 3.382 20 0 GGADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)[N-]c1cnns1 ZINC000192027010 565651185 /nfs/dbraw/zinc/65/11/85/565651185.db2.gz KVGWENCEEPEQOT-GFCCVEGCSA-N -1 3 382.873 3.042 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174700904 565652581 /nfs/dbraw/zinc/65/25/81/565652581.db2.gz HIXJPYBBGMFBIB-UHFFFAOYSA-N -1 3 386.882 3.237 20 0 GGADHM Cc1ccc(SC2(CNC(=O)C(=O)[N-]c3cnns3)CCCC2)cc1 ZINC000192046950 565652988 /nfs/dbraw/zinc/65/29/88/565652988.db2.gz SSOWYQPUFFYHKD-UHFFFAOYSA-N -1 3 376.507 3.006 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000174728472 565653755 /nfs/dbraw/zinc/65/37/55/565653755.db2.gz ZTFSXMQLDOUBEL-JTQLQIEISA-N -1 3 380.853 3.346 20 0 GGADHM COc1ccc(CNc2cc([C@@H]3CCCOC3)nn2C)c(Br)c1[O-] ZINC000280154441 565654844 /nfs/dbraw/zinc/65/48/44/565654844.db2.gz RUHCXTMVBYMYOR-GFCCVEGCSA-N -1 3 396.285 3.403 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329142912 565655854 /nfs/dbraw/zinc/65/58/54/565655854.db2.gz VHFGMONBCHGPHJ-NEPJUHHUSA-N -1 3 388.946 3.034 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000329237157 565660922 /nfs/dbraw/zinc/66/09/22/565660922.db2.gz KBBGBBBPSHIYSX-GFCCVEGCSA-N -1 3 376.503 3.382 20 0 GGADHM CO[C@]1(C)C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000174824448 565661147 /nfs/dbraw/zinc/66/11/47/565661147.db2.gz IKGYKZWVPZJPLV-CRAIPNDOSA-N -1 3 393.281 3.224 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1Br ZINC000192133718 565662462 /nfs/dbraw/zinc/66/24/62/565662462.db2.gz IRWCOBLDEOMYAU-UHFFFAOYSA-N -1 3 394.184 3.027 20 0 GGADHM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000280266291 565662677 /nfs/dbraw/zinc/66/26/77/565662677.db2.gz OLANRKSAQLJHCO-GFCCVEGCSA-N -1 3 386.926 3.092 20 0 GGADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329407873 565665882 /nfs/dbraw/zinc/66/58/82/565665882.db2.gz CIDBWFCKGFSKRD-KWQFWETISA-N -1 3 388.276 3.077 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000410146627 565666925 /nfs/dbraw/zinc/66/69/25/565666925.db2.gz AOLVWQAHAKHXOB-KRWDZBQOSA-N -1 3 381.881 3.025 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@]12CCCO2 ZINC000329509200 565668771 /nfs/dbraw/zinc/66/87/71/565668771.db2.gz JOZNEOMFSGNWSP-OAGGEKHMSA-N -1 3 394.320 3.139 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1ccc(Cl)c(Br)c1 ZINC000192201946 565669017 /nfs/dbraw/zinc/66/90/17/565669017.db2.gz LWBPWSOGSCYQAG-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2cn(C3CCCC3)nc21)c1cncc(Cl)c1 ZINC000329534772 565669837 /nfs/dbraw/zinc/66/98/37/565669837.db2.gz YVEZGPHLEBHOOS-MRXNPFEDSA-N -1 3 380.901 3.403 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)c1 ZINC000174968654 565670218 /nfs/dbraw/zinc/67/02/18/565670218.db2.gz VVHWOLONQPOIDU-UHFFFAOYSA-N -1 3 376.507 3.141 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174981995 565670934 /nfs/dbraw/zinc/67/09/34/565670934.db2.gz YXIJHFJGFCTBBB-ZDUSSCGKSA-N -1 3 380.564 3.074 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)cc1F ZINC000329575103 565671175 /nfs/dbraw/zinc/67/11/75/565671175.db2.gz AYKOXAHJXGLVLD-INIZCTEOSA-N -1 3 389.514 3.011 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCOCC1 ZINC000192225156 565671585 /nfs/dbraw/zinc/67/15/85/565671585.db2.gz YKCUQTVFYWYQJA-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM O=S1(=O)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC12CCCCC2 ZINC000329558360 565671721 /nfs/dbraw/zinc/67/17/21/565671721.db2.gz HZVOSSYKPGWLIZ-UHFFFAOYSA-N -1 3 377.428 3.344 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCOCC1 ZINC000192225162 565671857 /nfs/dbraw/zinc/67/18/57/565671857.db2.gz YKCUQTVFYWYQJA-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000192229914 565672766 /nfs/dbraw/zinc/67/27/66/565672766.db2.gz FDDQAIBJXFCWAA-YGRLFVJLSA-N -1 3 394.718 3.338 20 0 GGADHM CCCCS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1 ZINC000192268217 565675137 /nfs/dbraw/zinc/67/51/37/565675137.db2.gz DWIUGWWXWHVEFS-UHFFFAOYSA-N -1 3 393.412 3.383 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2Br)c(=O)[n-]1 ZINC000192270941 565676066 /nfs/dbraw/zinc/67/60/66/565676066.db2.gz DNTNQLKRFWXKGK-UHFFFAOYSA-N -1 3 384.661 3.374 20 0 GGADHM COC[C@@](C)([N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1)C(F)(F)F ZINC000410327062 565676886 /nfs/dbraw/zinc/67/68/86/565676886.db2.gz RQZCDHQWXOZCIE-CQSZACIVSA-N -1 3 394.440 3.364 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(C(F)(F)F)s1 ZINC000329742847 565678106 /nfs/dbraw/zinc/67/81/06/565678106.db2.gz PSMXJSVSKIZVJM-BIMULSAOSA-N -1 3 381.441 3.393 20 0 GGADHM O=S(=O)(CC12CCC(CC1)C2)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000329750240 565679468 /nfs/dbraw/zinc/67/94/68/565679468.db2.gz UWCFGTKSUVJQCL-UHFFFAOYSA-N -1 3 381.885 3.390 20 0 GGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410378544 565680592 /nfs/dbraw/zinc/68/05/92/565680592.db2.gz BTVLFNLMWHMWQJ-UHFFFAOYSA-N -1 3 385.848 3.199 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(C)(C)C ZINC000175157065 565682628 /nfs/dbraw/zinc/68/26/28/565682628.db2.gz AWZFZAKZMKBGPP-KRWDZBQOSA-N -1 3 380.535 3.238 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCc2nccn2C1)c1cc2cc(Cl)ccc2s1 ZINC000329855987 565683166 /nfs/dbraw/zinc/68/31/66/565683166.db2.gz XUBLSSWZLHCIQG-LLVKDONJSA-N -1 3 381.910 3.292 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2ccccc2F)c1 ZINC000175192799 565683921 /nfs/dbraw/zinc/68/39/21/565683921.db2.gz AURQAUMVXAWVJS-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1C(N)=O ZINC000410421079 565684161 /nfs/dbraw/zinc/68/41/61/565684161.db2.gz RJAZJJNYHBQJTM-UHFFFAOYSA-N -1 3 393.223 3.041 20 0 GGADHM Cc1ccc(CCS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000410419149 565684636 /nfs/dbraw/zinc/68/46/36/565684636.db2.gz OMMQKWHEFINUTF-INIZCTEOSA-N -1 3 388.316 3.497 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c(C)o1 ZINC000175205767 565684878 /nfs/dbraw/zinc/68/48/78/565684878.db2.gz GAHCEPXVHAMVGF-HNNXBMFYSA-N -1 3 382.869 3.127 20 0 GGADHM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)s[n-]1 ZINC000329918189 565685332 /nfs/dbraw/zinc/68/53/32/565685332.db2.gz FWIGDFFDDVKHOP-LBPRGKRZSA-N -1 3 379.555 3.191 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C2CCN(Cc3ccc(Cl)cc3)CC2)sc1C ZINC000329928234 565686071 /nfs/dbraw/zinc/68/60/71/565686071.db2.gz XTNIXBPNAKJFQL-UHFFFAOYSA-N -1 3 399.969 3.356 20 0 GGADHM CCc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000280667631 565686731 /nfs/dbraw/zinc/68/67/31/565686731.db2.gz FZRCBAGSWMXKHV-UHFFFAOYSA-N -1 3 376.356 3.485 20 0 GGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175317716 565692435 /nfs/dbraw/zinc/69/24/35/565692435.db2.gz WNVBGOLBUZCQMT-JTQLQIEISA-N -1 3 382.345 3.268 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)c1 ZINC000175318119 565693715 /nfs/dbraw/zinc/69/37/15/565693715.db2.gz KPDNSYBIFMXMRS-UHFFFAOYSA-N -1 3 391.312 3.010 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(C)c1)c1ccc(C)o1 ZINC000175349373 565694878 /nfs/dbraw/zinc/69/48/78/565694878.db2.gz JECIOAHUWMKAFZ-CQSZACIVSA-N -1 3 388.283 3.325 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C)c1ccc(C)o1 ZINC000175349326 565695320 /nfs/dbraw/zinc/69/53/20/565695320.db2.gz RBEKCCZKYNMSSL-CYBMUJFWSA-N -1 3 388.283 3.325 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)sc1Br ZINC000330168832 565695460 /nfs/dbraw/zinc/69/54/60/565695460.db2.gz CVWDVKNFWLYEHL-SNVBAGLBSA-N -1 3 380.329 3.199 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3cc4c(cc3C)OCO4)CCCC2)n1 ZINC000330174292 565695930 /nfs/dbraw/zinc/69/59/30/565695930.db2.gz ZARARPXNWYXDOG-UHFFFAOYSA-N -1 3 380.491 3.236 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1C)c1ccco1 ZINC000175359831 565696512 /nfs/dbraw/zinc/69/65/12/565696512.db2.gz YMDFYZOXHITGEP-ZDUSSCGKSA-N -1 3 388.283 3.325 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1cncc(Br)c1 ZINC000330191322 565696701 /nfs/dbraw/zinc/69/67/01/565696701.db2.gz WYJCBWDNEBNDAR-ZDUSSCGKSA-N -1 3 389.315 3.004 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCCCn2ccnc2C)c1 ZINC000280800644 565697101 /nfs/dbraw/zinc/69/71/01/565697101.db2.gz VUDOHLORTSBCHM-UHFFFAOYSA-N -1 3 383.901 3.196 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)c(F)c1 ZINC000192568427 565699254 /nfs/dbraw/zinc/69/92/54/565699254.db2.gz IELHIQXGTPVUEB-UHFFFAOYSA-N -1 3 384.860 3.154 20 0 GGADHM O=C(COc1ccc(Br)cc1Cl)Nc1nnc(-c2ccco2)[n-]1 ZINC000192595991 565700471 /nfs/dbraw/zinc/70/04/71/565700471.db2.gz RYMLYYNHERDNCA-UHFFFAOYSA-N -1 3 397.616 3.498 20 0 GGADHM O=C(COc1ccc(Br)cc1Cl)Nc1nc(-c2ccco2)n[n-]1 ZINC000192595991 565700479 /nfs/dbraw/zinc/70/04/79/565700479.db2.gz RYMLYYNHERDNCA-UHFFFAOYSA-N -1 3 397.616 3.498 20 0 GGADHM O=C(COc1ccc(Br)cc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000192595991 565700482 /nfs/dbraw/zinc/70/04/82/565700482.db2.gz RYMLYYNHERDNCA-UHFFFAOYSA-N -1 3 397.616 3.498 20 0 GGADHM CC(C)C1(CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000175487244 565702929 /nfs/dbraw/zinc/70/29/29/565702929.db2.gz JTBYCUUDRFYRIY-UHFFFAOYSA-N -1 3 393.336 3.214 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000330389617 565704168 /nfs/dbraw/zinc/70/41/68/565704168.db2.gz FCZVMHNRQWUFSK-VXGBXAGGSA-N -1 3 377.915 3.079 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)c(C)o1 ZINC000175526594 565705266 /nfs/dbraw/zinc/70/52/66/565705266.db2.gz DZOVGEXMZBEDQX-UHFFFAOYSA-N -1 3 377.249 3.364 20 0 GGADHM CSCCON=C([O-])Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000280952532 565705467 /nfs/dbraw/zinc/70/54/67/565705467.db2.gz HZCOCCQLRDUXBH-UHFFFAOYSA-N -1 3 376.360 3.480 20 0 GGADHM CSCCO[N-]C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000280952532 565705473 /nfs/dbraw/zinc/70/54/73/565705473.db2.gz HZCOCCQLRDUXBH-UHFFFAOYSA-N -1 3 376.360 3.480 20 0 GGADHM CCc1c(C(=O)[N-]c2nc(SC)ns2)nnn1-c1cccc(Cl)c1 ZINC000175533051 565706037 /nfs/dbraw/zinc/70/60/37/565706037.db2.gz RGWSNNOYMUMGLF-UHFFFAOYSA-N -1 3 380.886 3.309 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@@H]1C ZINC000330440492 565706324 /nfs/dbraw/zinc/70/63/24/565706324.db2.gz OPGLTMBKTJZSGA-WDEREUQCSA-N -1 3 379.309 3.061 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@H]1C ZINC000330440487 565706647 /nfs/dbraw/zinc/70/66/47/565706647.db2.gz OPGLTMBKTJZSGA-GHMZBOCLSA-N -1 3 379.309 3.061 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@H]1C ZINC000330440489 565706847 /nfs/dbraw/zinc/70/68/47/565706847.db2.gz OPGLTMBKTJZSGA-MNOVXSKESA-N -1 3 379.309 3.061 20 0 GGADHM CC(C)(C)c1ncc(C(=O)[N-]c2nc3cc(Br)ccn3n2)s1 ZINC000411045559 565707397 /nfs/dbraw/zinc/70/73/97/565707397.db2.gz KEXKBJJIWDULQR-UHFFFAOYSA-N -1 3 380.271 3.498 20 0 GGADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000330491763 565709254 /nfs/dbraw/zinc/70/92/54/565709254.db2.gz OIVFVUXJCWQXAZ-NEPJUHHUSA-N -1 3 383.286 3.378 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccncc2Br)s1 ZINC000330491171 565709295 /nfs/dbraw/zinc/70/92/95/565709295.db2.gz GWFLBRGMTWCVAG-UHFFFAOYSA-N -1 3 375.313 3.426 20 0 GGADHM CCC1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCOCC1 ZINC000330516021 565709701 /nfs/dbraw/zinc/70/97/01/565709701.db2.gz DQLCOWIHCRSYDH-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC(CC(F)(F)F)CC2)ccc1F ZINC000330532960 565711009 /nfs/dbraw/zinc/71/10/09/565711009.db2.gz NSFTXZOOBLOWPD-UHFFFAOYSA-N -1 3 382.379 3.002 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1nccs1 ZINC000192820025 565712442 /nfs/dbraw/zinc/71/24/42/565712442.db2.gz BTSISDNXLHCOJK-HNNXBMFYSA-N -1 3 390.914 3.417 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)cs1 ZINC000192819039 565712459 /nfs/dbraw/zinc/71/24/59/565712459.db2.gz BOUNRQQFUVYDOD-VIFPVBQESA-N -1 3 390.914 3.416 20 0 GGADHM O=S(=O)([N-]C1(c2nnc[nH]2)CCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000281132413 565713400 /nfs/dbraw/zinc/71/34/00/565713400.db2.gz IVEFSDHZJVZTRO-UHFFFAOYSA-N -1 3 381.672 3.123 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000175656410 565713500 /nfs/dbraw/zinc/71/35/00/565713500.db2.gz HMVGAVIRZPCZOG-MGPQQGTHSA-N -1 3 382.507 3.008 20 0 GGADHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000175639069 565713615 /nfs/dbraw/zinc/71/36/15/565713615.db2.gz QJIXJTKGGQSMPW-ZPMVXHMNSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000175646838 565713696 /nfs/dbraw/zinc/71/36/96/565713696.db2.gz WOEQDZNMNWJGRF-FLCAKIMKSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000175646871 565713735 /nfs/dbraw/zinc/71/37/35/565713735.db2.gz WOEQDZNMNWJGRF-HJTOQOCKSA-N -1 3 384.350 3.352 20 0 GGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000330607903 565714619 /nfs/dbraw/zinc/71/46/19/565714619.db2.gz MFOLSDTXEYMCOE-UHFFFAOYSA-N -1 3 380.293 3.394 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cncc(Br)c2)CC1 ZINC000192840966 565714692 /nfs/dbraw/zinc/71/46/92/565714692.db2.gz GIOSNNPMIHKJLX-UHFFFAOYSA-N -1 3 390.281 3.400 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000330631724 565715312 /nfs/dbraw/zinc/71/53/12/565715312.db2.gz PXLRFBCBBDLKIX-YPMHNXCESA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330634251 565715697 /nfs/dbraw/zinc/71/56/97/565715697.db2.gz LDRPZVVAGKCPRQ-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CN(CCC(F)(F)F)C(=O)C(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411190302 565717013 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GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000175736249 565720723 /nfs/dbraw/zinc/72/07/23/565720723.db2.gz GJEOTJMTOPCEGB-SNVBAGLBSA-N -1 3 379.507 3.148 20 0 GGADHM CCCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000175817915 565725208 /nfs/dbraw/zinc/72/52/08/565725208.db2.gz MTGMLZCCIKSRBX-UHFFFAOYSA-N -1 3 386.857 3.191 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c(C)o1 ZINC000175824988 565726028 /nfs/dbraw/zinc/72/60/28/565726028.db2.gz GUXDDYNLCRJMIR-OAHLLOKOSA-N -1 3 382.869 3.127 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)sc1Br ZINC000330854961 565726137 /nfs/dbraw/zinc/72/61/37/565726137.db2.gz RPVFZASGZMAJJA-SNVBAGLBSA-N -1 3 378.317 3.218 20 0 GGADHM Cc1cc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1Br ZINC000175849710 565726820 /nfs/dbraw/zinc/72/68/20/565726820.db2.gz PAHXANKYVPHQNS-UHFFFAOYSA-N -1 3 377.164 3.466 20 0 GGADHM Cc1cc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC000175849710 565726827 /nfs/dbraw/zinc/72/68/27/565726827.db2.gz PAHXANKYVPHQNS-UHFFFAOYSA-N -1 3 377.164 3.466 20 0 GGADHM C[C@@H](CNC(=O)C(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F)C(F)(F)F ZINC000411385482 565726907 /nfs/dbraw/zinc/72/69/07/565726907.db2.gz XIZGKLQXBZZMTJ-OIBJUYFYSA-N -1 3 390.711 3.374 20 0 GGADHM Cc1ccc(Br)cc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000175856940 565728596 /nfs/dbraw/zinc/72/85/96/565728596.db2.gz DCULTDCODRTIFE-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1noc(Cc2ccccc2)n1 ZINC000175880660 565730668 /nfs/dbraw/zinc/73/06/68/565730668.db2.gz FICCLZOTCGVRPQ-GFCCVEGCSA-N -1 3 377.853 3.353 20 0 GGADHM C[S@@](=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000175874557 565731178 /nfs/dbraw/zinc/73/11/78/565731178.db2.gz OGAXAFPZGWMIRE-XMMPIXPASA-N -1 3 395.399 3.060 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)c3c2cccc3Cl)c(C)o1 ZINC000175904042 565731884 /nfs/dbraw/zinc/73/18/84/565731884.db2.gz TYDLOSXZXUTFKA-UHFFFAOYSA-N -1 3 382.869 3.088 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000193112302 565733437 /nfs/dbraw/zinc/73/34/37/565733437.db2.gz JISDEWWTZUCYKD-SSDOTTSWSA-N -1 3 376.194 3.245 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CCOCC1 ZINC000331000035 565734560 /nfs/dbraw/zinc/73/45/60/565734560.db2.gz QAUJXMOURSCOSM-CQSZACIVSA-N -1 3 380.279 3.072 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000331039085 565736449 /nfs/dbraw/zinc/73/64/49/565736449.db2.gz BKBKSYSFDPTKAX-CYBMUJFWSA-N -1 3 380.279 3.072 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000331062879 565737659 /nfs/dbraw/zinc/73/76/59/565737659.db2.gz OCCLTHMMGSVABW-DGCLKSJQSA-N -1 3 380.279 3.070 20 0 GGADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)cc2Br)[n-]c1=O ZINC000193264700 565741132 /nfs/dbraw/zinc/74/11/32/565741132.db2.gz QNFSKUNTUGZUCN-RMKNXTFCSA-N -1 3 381.201 3.409 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000331153414 565742199 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C[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000281817018 565750366 /nfs/dbraw/zinc/75/03/66/565750366.db2.gz VEXDBFDNKLSMMG-NSHDSACASA-N -1 3 376.806 3.361 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC(c2cccs2)c2cccs2)c(C)o1 ZINC000176113228 565750528 /nfs/dbraw/zinc/75/05/28/565750528.db2.gz GRKZGQIQJOWVSJ-UHFFFAOYSA-N -1 3 396.515 3.139 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2cc(Br)ccc21 ZINC000176127784 565752515 /nfs/dbraw/zinc/75/25/15/565752515.db2.gz XTQLWYRFIQQIQF-UHFFFAOYSA-N -1 3 390.281 3.341 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000331292922 565753308 /nfs/dbraw/zinc/75/33/08/565753308.db2.gz XFMJREDPTXEADL-NEPJUHHUSA-N -1 3 377.553 3.186 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000331292925 565753382 /nfs/dbraw/zinc/75/33/82/565753382.db2.gz XFMJREDPTXEADL-VXGBXAGGSA-N -1 3 377.553 3.186 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c(C)o1 ZINC000176197167 565757091 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Cc1ccc(-c2n[n-]c(NC(=O)C3(c4cncc(Br)c4)CC3)n2)o1 ZINC000282035336 565761641 /nfs/dbraw/zinc/76/16/41/565761641.db2.gz QJLMSZDVAYUDDW-UHFFFAOYSA-N -1 3 388.225 3.201 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)C3(c4cncc(Br)c4)CC3)n[n-]2)o1 ZINC000282035336 565761643 /nfs/dbraw/zinc/76/16/43/565761643.db2.gz QJLMSZDVAYUDDW-UHFFFAOYSA-N -1 3 388.225 3.201 20 0 GGADHM COc1cc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)ccc1C ZINC000193653979 565768466 /nfs/dbraw/zinc/76/84/66/565768466.db2.gz CPBGRQJFUMPWPZ-UHFFFAOYSA-N -1 3 380.535 3.008 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(F)cc3nccnc32)c1 ZINC000193682716 565768788 /nfs/dbraw/zinc/76/87/88/565768788.db2.gz ALHYZNIMFMQMHA-UHFFFAOYSA-N -1 3 379.800 3.078 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(O)CCCCCC2)s1 ZINC000331580059 565769260 /nfs/dbraw/zinc/76/92/60/565769260.db2.gz REQXRWLPLPRJBR-UHFFFAOYSA-N -1 3 382.345 3.183 20 0 GGADHM CC(=O)c1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1[O-] ZINC000412099747 565771004 /nfs/dbraw/zinc/77/10/04/565771004.db2.gz 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HSJODXGKWOQDMR-UHFFFAOYSA-N -1 3 378.230 3.208 20 0 GGADHM COCC(C)(C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000283800030 565830265 /nfs/dbraw/zinc/83/02/65/565830265.db2.gz HSJODXGKWOQDMR-UHFFFAOYSA-N -1 3 378.230 3.208 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCCC[C@H]1c1ccccc1 ZINC000194692294 565831219 /nfs/dbraw/zinc/83/12/19/565831219.db2.gz JHOWXQZBVZWKCE-INIZCTEOSA-N -1 3 378.519 3.170 20 0 GGADHM CC(C)(CC(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000413054005 565831554 /nfs/dbraw/zinc/83/15/54/565831554.db2.gz LZFUCXVTHIEVDF-UHFFFAOYSA-N -1 3 388.358 3.147 20 0 GGADHM CCNc1nc(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)cs1 ZINC000177152662 565831795 /nfs/dbraw/zinc/83/17/95/565831795.db2.gz DWLKVTUPZOSCCL-UHFFFAOYSA-N -1 3 375.479 3.278 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC)c2)c(C)c1 ZINC000194729185 565833813 /nfs/dbraw/zinc/83/38/13/565833813.db2.gz CLPHDKVJCOLZCB-UHFFFAOYSA-N -1 3 382.869 3.208 20 0 GGADHM COCCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194768846 565835378 /nfs/dbraw/zinc/83/53/78/565835378.db2.gz YSPGMHRSYOCWHZ-UHFFFAOYSA-N -1 3 390.221 3.173 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Br)c(C)c1F ZINC000194777692 565836589 /nfs/dbraw/zinc/83/65/89/565836589.db2.gz JGMZMZLBIPNQAB-UHFFFAOYSA-N -1 3 386.246 3.263 20 0 GGADHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194780316 565837192 /nfs/dbraw/zinc/83/71/92/565837192.db2.gz RJDAOLVZIBHRLT-SECBINFHSA-N -1 3 390.221 3.171 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C)c2F)c(=O)[n-]1 ZINC000194782161 565837702 /nfs/dbraw/zinc/83/77/02/565837702.db2.gz AMCWHIBMLZMCHH-UHFFFAOYSA-N -1 3 382.233 3.168 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cc2c(cc1Cl)OCCO2 ZINC000332456577 565838504 /nfs/dbraw/zinc/83/85/04/565838504.db2.gz NUPGOUYLPCPFNJ-JTQLQIEISA-N -1 3 381.828 3.215 20 0 GGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(C(F)(F)F)ccc1Br ZINC000194790260 565838564 /nfs/dbraw/zinc/83/85/64/565838564.db2.gz QNKLDIMOPMZXNF-UHFFFAOYSA-N -1 3 383.189 3.275 20 0 GGADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000194807315 565839562 /nfs/dbraw/zinc/83/95/62/565839562.db2.gz VEFQFIXRNZBWSA-CYBMUJFWSA-N -1 3 380.432 3.034 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCC1 ZINC000332495475 565840287 /nfs/dbraw/zinc/84/02/87/565840287.db2.gz UVRYGQSWGOYJPK-LLVKDONJSA-N -1 3 394.306 3.055 20 0 GGADHM CC(C)CCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000194822643 565840817 /nfs/dbraw/zinc/84/08/17/565840817.db2.gz XQNZSBPWBQXDQU-UHFFFAOYSA-N -1 3 386.564 3.406 20 0 GGADHM CC(C)OCCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000284064495 565840942 /nfs/dbraw/zinc/84/09/42/565840942.db2.gz UJQKKKGZFJGPRM-UHFFFAOYSA-N -1 3 378.230 3.252 20 0 GGADHM CC(C)OCCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000284064495 565840948 /nfs/dbraw/zinc/84/09/48/565840948.db2.gz UJQKKKGZFJGPRM-UHFFFAOYSA-N -1 3 378.230 3.252 20 0 GGADHM CC(C)OCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000284064495 565840953 /nfs/dbraw/zinc/84/09/53/565840953.db2.gz UJQKKKGZFJGPRM-UHFFFAOYSA-N -1 3 378.230 3.252 20 0 GGADHM O=C(COc1cccc(I)c1)Nc1cccc([O-])c1F ZINC000194819490 565841248 /nfs/dbraw/zinc/84/12/48/565841248.db2.gz XDKVJONIPZSTCI-UHFFFAOYSA-N -1 3 387.148 3.153 20 0 GGADHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332524490 565841798 /nfs/dbraw/zinc/84/17/98/565841798.db2.gz RFXCSTMTQURLCT-NXEZZACHSA-N -1 3 392.253 3.067 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl ZINC000332567245 565845200 /nfs/dbraw/zinc/84/52/00/565845200.db2.gz XSIDBOPGIDHIFC-UHFFFAOYSA-N -1 3 386.304 3.336 20 0 GGADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCC(F)(F)F)n2)cc1 ZINC000284188524 565845226 /nfs/dbraw/zinc/84/52/26/565845226.db2.gz HCACXTXRGNKWQX-JTQLQIEISA-N -1 3 377.388 3.232 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]C[C@@H]3CCCC[C@H]3C(F)(F)F)cc12 ZINC000332567690 565845445 /nfs/dbraw/zinc/84/54/45/565845445.db2.gz UYOCTPUEPPCMNB-GXFFZTMASA-N -1 3 377.388 3.178 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000332597663 565846142 /nfs/dbraw/zinc/84/61/42/565846142.db2.gz MJMWCTVYQZZOLF-WPRPVWTQSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCO1 ZINC000332597663 565846144 /nfs/dbraw/zinc/84/61/44/565846144.db2.gz MJMWCTVYQZZOLF-WPRPVWTQSA-N -1 3 399.672 3.241 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000332624740 565848676 /nfs/dbraw/zinc/84/86/76/565848676.db2.gz RXXPQAUWZFCZDS-CHWSQXEVSA-N -1 3 386.514 3.053 20 0 GGADHM Cc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1Br ZINC000177403828 565848827 /nfs/dbraw/zinc/84/88/27/565848827.db2.gz UDSXTVQAHFAWSZ-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM CO[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000413383756 565849383 /nfs/dbraw/zinc/84/93/83/565849383.db2.gz CEYWMECJXSHTSY-WBVHZDCISA-N -1 3 391.265 3.266 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000413389139 565849399 /nfs/dbraw/zinc/84/93/99/565849399.db2.gz SUEJIEJLHLXLIC-ZBFHGGJFSA-N -1 3 391.265 3.172 20 0 GGADHM CC(C)CCC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000332656053 565850836 /nfs/dbraw/zinc/85/08/36/565850836.db2.gz AMLMVNRKUNPIAW-UHFFFAOYSA-N -1 3 389.315 3.048 20 0 GGADHM C[C@H]1COCC[C@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000332670088 565851481 /nfs/dbraw/zinc/85/14/81/565851481.db2.gz PEGVEJTYRZLEPQ-TVQRCGJNSA-N -1 3 382.233 3.011 20 0 GGADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1occc1Br ZINC000177461792 565852696 /nfs/dbraw/zinc/85/26/96/565852696.db2.gz ZERVZRKKINDEJX-UHFFFAOYSA-N -1 3 378.631 3.351 20 0 GGADHM O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)c1ccc(Br)cc1 ZINC000195002854 565853103 /nfs/dbraw/zinc/85/31/03/565853103.db2.gz XVRHYASDIVDCHM-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)c1ccc(Br)cc1 ZINC000195002854 565853105 /nfs/dbraw/zinc/85/31/05/565853105.db2.gz XVRHYASDIVDCHM-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)c1ccc(Br)cc1 ZINC000195002854 565853108 /nfs/dbraw/zinc/85/31/08/565853108.db2.gz XVRHYASDIVDCHM-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)c1ccccc1Br ZINC000195003044 565853351 /nfs/dbraw/zinc/85/33/51/565853351.db2.gz NDZCHIZOWHXVPJ-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)c1ccccc1Br ZINC000195003044 565853357 /nfs/dbraw/zinc/85/33/57/565853357.db2.gz NDZCHIZOWHXVPJ-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)c1ccccc1Br ZINC000195003044 565853361 /nfs/dbraw/zinc/85/33/61/565853361.db2.gz NDZCHIZOWHXVPJ-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM CC(C)(C)CC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000332692733 565853565 /nfs/dbraw/zinc/85/35/65/565853565.db2.gz RCUWFISPVRSEKY-UHFFFAOYSA-N -1 3 389.315 3.048 20 0 GGADHM O=S(=O)(CCC(F)(F)F)[N-]Cc1csc(CCc2ccccc2)n1 ZINC000284426258 565853602 /nfs/dbraw/zinc/85/36/02/565853602.db2.gz VQMSHPPNMZYBQN-UHFFFAOYSA-N -1 3 378.441 3.300 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1ccc(F)c(Br)c1 ZINC000177538451 565858910 /nfs/dbraw/zinc/85/89/10/565858910.db2.gz JEZGMNKYYQJNLG-UHFFFAOYSA-N -1 3 394.287 3.179 20 0 GGADHM CCOc1cc(Br)c(NC([O-])=NOCC(C)(C)O)cc1OCC ZINC000284570276 565860318 /nfs/dbraw/zinc/86/03/18/565860318.db2.gz HYBJXNNXVYZINJ-UHFFFAOYSA-N -1 3 391.262 3.071 20 0 GGADHM CCOc1cc(Br)c(NC(=O)[N-]OCC(C)(C)O)cc1OCC ZINC000284570276 565860319 /nfs/dbraw/zinc/86/03/19/565860319.db2.gz HYBJXNNXVYZINJ-UHFFFAOYSA-N -1 3 391.262 3.071 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1ccc(Br)cc1 ZINC000177624594 565862995 /nfs/dbraw/zinc/86/29/95/565862995.db2.gz AQUZSJYGFDPJGL-UHFFFAOYSA-N -1 3 376.297 3.040 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccc(OCC(F)(F)F)cc2)[n-]1 ZINC000195165214 565864003 /nfs/dbraw/zinc/86/40/03/565864003.db2.gz NPUJTPHEQOJSKO-UHFFFAOYSA-N -1 3 377.388 3.017 20 0 GGADHM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000195165214 565864009 /nfs/dbraw/zinc/86/40/09/565864009.db2.gz NPUJTPHEQOJSKO-UHFFFAOYSA-N -1 3 377.388 3.017 20 0 GGADHM CC1(C)Cc2ccc(C(=O)N3CCSC[C@H]3c3nccs3)c([O-])c2O1 ZINC000333105894 565865762 /nfs/dbraw/zinc/86/57/62/565865762.db2.gz WIMRMZNOVUFVOT-ZDUSSCGKSA-N -1 3 376.503 3.493 20 0 GGADHM CCN(CC)C(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000195205656 565866355 /nfs/dbraw/zinc/86/63/55/565866355.db2.gz UQWHMXWWFWGERN-UHFFFAOYSA-N -1 3 377.491 3.346 20 0 GGADHM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1ccccc1C(F)(F)F ZINC000195240960 565868493 /nfs/dbraw/zinc/86/84/93/565868493.db2.gz CFZPZLFQMXVTIM-UHFFFAOYSA-N -1 3 390.349 3.010 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCSc4ccc(F)cc43)cn21 ZINC000333173521 565868894 /nfs/dbraw/zinc/86/88/94/565868894.db2.gz OEHXZMXVNCSFRW-RISCZKNCSA-N -1 3 381.498 3.435 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCSc4ccc(F)cc43)cn21 ZINC000333173519 565869224 /nfs/dbraw/zinc/86/92/24/565869224.db2.gz OEHXZMXVNCSFRW-BXUZGUMPSA-N -1 3 381.498 3.435 20 0 GGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCCC[C@H]3C(F)(F)F)cn21 ZINC000333184205 565869782 /nfs/dbraw/zinc/86/97/82/565869782.db2.gz QJQGXMGQPVJVNU-YNEHKIRRSA-N -1 3 379.448 3.427 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)sc1Cl ZINC000333185310 565870110 /nfs/dbraw/zinc/87/01/10/565870110.db2.gz TZYDIOZELVMCPV-OLZOCXBDSA-N -1 3 390.958 3.169 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3C)CC2)sc1C ZINC000333176977 565870242 /nfs/dbraw/zinc/87/02/42/565870242.db2.gz RJDUMTOLQUXUID-UHFFFAOYSA-N -1 3 379.551 3.011 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)c(F)cc1Br ZINC000333229977 565872521 /nfs/dbraw/zinc/87/25/21/565872521.db2.gz XZPCTXCJRFITFJ-JOYOIKCWSA-N -1 3 388.262 3.077 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c(F)cc1Br ZINC000333226715 565872840 /nfs/dbraw/zinc/87/28/40/565872840.db2.gz XLYYUILQUFFUFT-LERXQTSPSA-N -1 3 392.290 3.133 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c(F)cc1Br ZINC000333226711 565873096 /nfs/dbraw/zinc/87/30/96/565873096.db2.gz XLYYUILQUFFUFT-GDLCADMTSA-N -1 3 392.290 3.133 20 0 GGADHM COc1ccc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)cc1Cl ZINC000195286593 565873426 /nfs/dbraw/zinc/87/34/26/565873426.db2.gz STDPXFOWSDYGGI-UHFFFAOYSA-N -1 3 377.853 3.031 20 0 GGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000284853582 565874254 /nfs/dbraw/zinc/87/42/54/565874254.db2.gz CKXQCGYWFPPNSP-BBRMVZONSA-N -1 3 387.864 3.065 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(C(F)(F)F)cc1F ZINC000333370668 565879728 /nfs/dbraw/zinc/87/97/28/565879728.db2.gz WDMRRLNKMDMRNZ-LERXQTSPSA-N -1 3 379.375 3.080 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCCN1C1CCCCC1 ZINC000333403768 565880834 /nfs/dbraw/zinc/88/08/34/565880834.db2.gz CBOLSIIEMRZPEV-LBPRGKRZSA-N -1 3 376.931 3.004 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195443648 565883636 /nfs/dbraw/zinc/88/36/36/565883636.db2.gz HRSVUIIOIBCYQS-UHFFFAOYSA-N -1 3 390.795 3.102 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000285021133 565883737 /nfs/dbraw/zinc/88/37/37/565883737.db2.gz FGHIHTWNTRJBNS-CHWSQXEVSA-N -1 3 381.416 3.241 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc2ccccc2c1F ZINC000333469092 565883875 /nfs/dbraw/zinc/88/38/75/565883875.db2.gz VYKHOIORVDIXRW-KDOFPFPSSA-N -1 3 381.494 3.312 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000333463366 565883947 /nfs/dbraw/zinc/88/39/47/565883947.db2.gz PZWSLYYSJGZTIF-DYVFJYSZSA-N -1 3 379.551 3.091 20 0 GGADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000285103962 565887677 /nfs/dbraw/zinc/88/76/77/565887677.db2.gz QDTBLRUHECVKLH-LRDDRELGSA-N -1 3 387.864 3.065 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Br)c(Cl)c1 ZINC000333608243 565889277 /nfs/dbraw/zinc/88/92/77/565889277.db2.gz ZSCZEQXPUUAJPB-JTQLQIEISA-N -1 3 394.718 3.483 20 0 GGADHM COCCOc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178020996 565889976 /nfs/dbraw/zinc/88/99/76/565889976.db2.gz BGQCJWCBEMZCPB-UHFFFAOYSA-N -1 3 380.238 3.110 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2nncn2C)C(C)C)c1Cl ZINC000285134238 565890582 /nfs/dbraw/zinc/89/05/82/565890582.db2.gz AKXSWZJWSRZHOT-LBPRGKRZSA-N -1 3 377.297 3.106 20 0 GGADHM COc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)c(Br)c1[O-] ZINC000285165891 565890865 /nfs/dbraw/zinc/89/08/65/565890865.db2.gz UQUQSCIUTJQUJW-SUMWQHHRSA-N -1 3 379.254 3.178 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)sc1Br ZINC000333677965 565892362 /nfs/dbraw/zinc/89/23/62/565892362.db2.gz KMANBJDMPVOHBW-LLVKDONJSA-N -1 3 394.356 3.447 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333686791 565892481 /nfs/dbraw/zinc/89/24/81/565892481.db2.gz BYOVLFGWYTTYEE-JKSUJKDBSA-N -1 3 382.298 3.097 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)sc1Br ZINC000333677966 565892675 /nfs/dbraw/zinc/89/26/75/565892675.db2.gz KMANBJDMPVOHBW-NSHDSACASA-N -1 3 394.356 3.447 20 0 GGADHM CC(C)[C@@H]1N(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000333768645 565896909 /nfs/dbraw/zinc/89/69/09/565896909.db2.gz QXNNZLAAWFTNBU-HOCLYGCPSA-N -1 3 384.567 3.232 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1nncn1C ZINC000285246314 565897203 /nfs/dbraw/zinc/89/72/03/565897203.db2.gz IAVWTHWVZOBMDY-GFCCVEGCSA-N -1 3 396.822 3.163 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1nncn1C ZINC000285246317 565897229 /nfs/dbraw/zinc/89/72/29/565897229.db2.gz IAVWTHWVZOBMDY-LBPRGKRZSA-N -1 3 396.822 3.163 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000178129830 565898663 /nfs/dbraw/zinc/89/86/63/565898663.db2.gz ZZTCQAWCMDTPEH-UHFFFAOYSA-N -1 3 378.881 3.071 20 0 GGADHM COc1cc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc(Br)c1[O-] ZINC000414188433 565901656 /nfs/dbraw/zinc/90/16/56/565901656.db2.gz RCHJBPMQWGLZQI-AWEZNQCLSA-N -1 3 385.302 3.418 20 0 GGADHM COc1ccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c(Br)c1[O-] ZINC000414190987 565902940 /nfs/dbraw/zinc/90/29/40/565902940.db2.gz UGEKMGDHGMCWBN-AWEZNQCLSA-N -1 3 385.302 3.418 20 0 GGADHM CC(C)N1CCN(Cc2cc(Br)c([O-])c(Br)c2)CC1 ZINC000221772059 565905167 /nfs/dbraw/zinc/90/51/67/565905167.db2.gz YHDLWVFLCUQRBB-UHFFFAOYSA-N -1 3 392.135 3.443 20 0 GGADHM CCC1(CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000178196231 565905234 /nfs/dbraw/zinc/90/52/34/565905234.db2.gz NZULGPGENPHURC-UHFFFAOYSA-N -1 3 384.548 3.208 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1nncn1C ZINC000285427020 565906723 /nfs/dbraw/zinc/90/67/23/565906723.db2.gz WFUVLCLXSWFXBY-GFCCVEGCSA-N -1 3 396.822 3.163 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000224010461 565910053 /nfs/dbraw/zinc/91/00/53/565910053.db2.gz BQLNQOAIIONCDP-UHFFFAOYSA-N -1 3 383.105 3.290 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1C ZINC000178349351 565913858 /nfs/dbraw/zinc/91/38/58/565913858.db2.gz RABURGORYPOUKN-UHFFFAOYSA-N -1 3 376.356 3.026 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)CC1 ZINC000414374190 565917176 /nfs/dbraw/zinc/91/71/76/565917176.db2.gz UAMQYVOUEALEFY-UHFFFAOYSA-N -1 3 380.491 3.346 20 0 GGADHM Cc1nc(C(=O)[N-]c2nncn2C2CC2)nn1-c1c(Cl)cccc1Cl ZINC000285649273 565919460 /nfs/dbraw/zinc/91/94/60/565919460.db2.gz DPXQEPFQOVZGJQ-UHFFFAOYSA-N -1 3 378.223 3.061 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000414384622 565920432 /nfs/dbraw/zinc/92/04/32/565920432.db2.gz SVSFVYHNVMDDLL-UHFFFAOYSA-N -1 3 383.800 3.169 20 0 GGADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)c1 ZINC000414389793 565922389 /nfs/dbraw/zinc/92/23/89/565922389.db2.gz TUNSSFZXXKKKNE-UHFFFAOYSA-N -1 3 384.498 3.289 20 0 GGADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(C)c1 ZINC000414389570 565922475 /nfs/dbraw/zinc/92/24/75/565922475.db2.gz RTWIRIMKUNIXNO-UHFFFAOYSA-N -1 3 380.535 3.458 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(SC)c2)cc1 ZINC000414389706 565922524 /nfs/dbraw/zinc/92/25/24/565922524.db2.gz SFSFNBAXFJDPCY-UHFFFAOYSA-N -1 3 383.491 3.243 20 0 GGADHM O=S(=O)([N-]c1cnn(Cc2ccc(Br)cc2Cl)c1)C1CC1 ZINC000414396483 565922962 /nfs/dbraw/zinc/92/29/62/565922962.db2.gz PDQMNJFBJAIWEI-UHFFFAOYSA-N -1 3 390.690 3.251 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000178520991 565923042 /nfs/dbraw/zinc/92/30/42/565923042.db2.gz OYFBPMQDHCMJCS-OAHLLOKOSA-N -1 3 383.828 3.232 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000227371136 565923224 /nfs/dbraw/zinc/92/32/24/565923224.db2.gz NUFSXZYNKFHBDW-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(C)cc1SC)c1ccccc1 ZINC000414394497 565923531 /nfs/dbraw/zinc/92/35/31/565923531.db2.gz KLDWRHNSAXTWCA-OAHLLOKOSA-N -1 3 379.503 3.415 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000178513698 565923437 /nfs/dbraw/zinc/92/34/37/565923437.db2.gz BTBJNGPVPUGGJI-UHFFFAOYSA-N -1 3 379.821 3.351 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000178506460 565923518 /nfs/dbraw/zinc/92/35/18/565923518.db2.gz YEBDNSFIRHCGAO-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCOCC1 ZINC000227837006 565924594 /nfs/dbraw/zinc/92/45/94/565924594.db2.gz XVXFGPLYKMAMHR-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000228580150 565925002 /nfs/dbraw/zinc/92/50/02/565925002.db2.gz APVJHCYQVZZMCC-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000178561569 565926126 /nfs/dbraw/zinc/92/61/26/565926126.db2.gz BTHNKNDIMKRCNO-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230589774 565928440 /nfs/dbraw/zinc/92/84/40/565928440.db2.gz PFMOCZSAZBXWMG-JTQLQIEISA-N -1 3 376.247 3.481 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)OCCO2 ZINC000178626941 565930347 /nfs/dbraw/zinc/93/03/47/565930347.db2.gz RNSYJFZOJLRBFM-UHFFFAOYSA-N -1 3 379.210 3.248 20 0 GGADHM O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cncc(Br)c1 ZINC000231207206 565931216 /nfs/dbraw/zinc/93/12/16/565931216.db2.gz ROVYPYMCOFTSHO-UHFFFAOYSA-N -1 3 385.136 3.201 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232497786 565931919 /nfs/dbraw/zinc/93/19/19/565931919.db2.gz PMESIMPLYSXQMQ-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285895270 565932952 /nfs/dbraw/zinc/93/29/52/565932952.db2.gz GLZMJLUDLIDHPI-UHFFFAOYSA-N -1 3 381.807 3.188 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)n(C2CCN(C)CC2)n1 ZINC000414441694 565933219 /nfs/dbraw/zinc/93/32/19/565933219.db2.gz JZCMCBRNDVKICS-UHFFFAOYSA-N -1 3 382.917 3.221 20 0 GGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232876518 565933188 /nfs/dbraw/zinc/93/31/88/565933188.db2.gz LXDDSCQAIANFFU-CYBMUJFWSA-N -1 3 384.723 3.178 20 0 GGADHM CC1(C)[C@H](NCc2cc(Br)c([O-])c(Br)c2)C[C@@H]1O ZINC000232784123 565933735 /nfs/dbraw/zinc/93/37/35/565933735.db2.gz XZFLXFKZBSCNFP-MNOVXSKESA-N -1 3 379.092 3.166 20 0 GGADHM O=C(COc1ccc(C2SCCCS2)cc1)[N-]c1nncn1C1CC1 ZINC000285919529 565933932 /nfs/dbraw/zinc/93/39/32/565933932.db2.gz SXDPBAIKTWZGKV-UHFFFAOYSA-N -1 3 376.507 3.499 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)OC(C)(C)C ZINC000235202111 565934597 /nfs/dbraw/zinc/93/45/97/565934597.db2.gz YCWRXLZCVVWFDE-MRVPVSSYSA-N -1 3 398.706 3.111 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cs1 ZINC000235933400 565937024 /nfs/dbraw/zinc/93/70/24/565937024.db2.gz MBOWMTPJPMBTJB-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)nc1C ZINC000414463650 565937950 /nfs/dbraw/zinc/93/79/50/565937950.db2.gz NWHSWAYHPBEOAW-UHFFFAOYSA-N -1 3 378.397 3.151 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C(F)F)c1 ZINC000178790269 565938060 /nfs/dbraw/zinc/93/80/60/565938060.db2.gz RSJSEDGDZHDQKU-UHFFFAOYSA-N -1 3 394.852 3.047 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2sccc2Cl)c(F)c1 ZINC000414469445 565939310 /nfs/dbraw/zinc/93/93/10/565939310.db2.gz GCUJXTZZSCYPQB-UHFFFAOYSA-N -1 3 378.878 3.282 20 0 GGADHM COc1ccc(CN2CCC(c3ccncn3)CC2)c(Br)c1[O-] ZINC000414468495 565939337 /nfs/dbraw/zinc/93/93/37/565939337.db2.gz GJAODQAAAMRDSK-UHFFFAOYSA-N -1 3 378.270 3.333 20 0 GGADHM COc1cc(OCCN(C)C)ccc1[N-]S(=O)(=O)c1sccc1Cl ZINC000414467555 565939475 /nfs/dbraw/zinc/93/94/75/565939475.db2.gz BNOJRDUGHGRQRU-UHFFFAOYSA-N -1 3 390.914 3.151 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000178836641 565940350 /nfs/dbraw/zinc/94/03/50/565940350.db2.gz SFLOERHXUFCRAX-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000414475718 565940482 /nfs/dbraw/zinc/94/04/82/565940482.db2.gz YEHSSBSIHZPNTC-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 ZINC000350824223 565941497 /nfs/dbraw/zinc/94/14/97/565941497.db2.gz PKNCXNYFXZTINQ-UHFFFAOYSA-N -1 3 385.232 3.477 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000178892481 565943639 /nfs/dbraw/zinc/94/36/39/565943639.db2.gz KHKYYQLHNBGUHT-CQSZACIVSA-N -1 3 388.258 3.254 20 0 GGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000286171632 565945988 /nfs/dbraw/zinc/94/59/88/565945988.db2.gz YRKSMZOBZDSRIW-UHFFFAOYSA-N -1 3 384.832 3.477 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(C3CC(F)(F)C3)no2)ccc1F ZINC000351125142 565945997 /nfs/dbraw/zinc/94/59/97/565945997.db2.gz ZVXCWPPXIAHWPS-UHFFFAOYSA-N -1 3 375.372 3.075 20 0 GGADHM Cc1noc(C)c1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000351179716 565947328 /nfs/dbraw/zinc/94/73/28/565947328.db2.gz YUTRWHUBPLOYIO-SECBINFHSA-N -1 3 382.829 3.034 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(c2ncccc2Br)CC1 ZINC000286219282 565947996 /nfs/dbraw/zinc/94/79/96/565947996.db2.gz SSEWFEGNUGHVHC-UHFFFAOYSA-N -1 3 376.254 3.405 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)o1 ZINC000178952824 565948758 /nfs/dbraw/zinc/94/87/58/565948758.db2.gz CAXIUTWNJWFBJY-HNNXBMFYSA-N -1 3 375.849 3.442 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)o1)c1cc(Cl)ccc1C(F)(F)F ZINC000286282865 565951873 /nfs/dbraw/zinc/95/18/73/565951873.db2.gz FPILLFJDGSZKGA-UHFFFAOYSA-N -1 3 381.763 3.098 20 0 GGADHM CCOC(CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)OCC ZINC000286297762 565953048 /nfs/dbraw/zinc/95/30/48/565953048.db2.gz GIVUTCOGUQGQPJ-UHFFFAOYSA-N -1 3 389.823 3.426 20 0 GGADHM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCCCc2c(Cl)cccc2Cl)C1=O ZINC000414658408 565953579 /nfs/dbraw/zinc/95/35/79/565953579.db2.gz MUKXLIZEAKZCKD-CVEARBPZSA-N -1 3 387.307 3.226 20 0 GGADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179053497 565955949 /nfs/dbraw/zinc/95/59/49/565955949.db2.gz POTVNRUQDOWTEI-SECBINFHSA-N -1 3 384.288 3.142 20 0 GGADHM COc1cc(C(=O)NCCc2ccc(F)c(Br)c2)cc(OC)c1[O-] ZINC000179096040 565957576 /nfs/dbraw/zinc/95/75/76/565957576.db2.gz ISENLJVPJMJJDH-UHFFFAOYSA-N -1 3 398.228 3.284 20 0 GGADHM O=C1[N-][C@@H](CC(F)(F)F)C(=O)N1Cc1cc(F)c(F)cc1Br ZINC000286471399 565962409 /nfs/dbraw/zinc/96/24/09/565962409.db2.gz VTAFLNMVLIHCEE-VIFPVBQESA-N -1 3 387.102 3.100 20 0 GGADHM C[C@H](CN)NC(=O)N=c1[n-]nc(SCc2c(Cl)cccc2Cl)s1 ZINC000414909131 565965437 /nfs/dbraw/zinc/96/54/37/565965437.db2.gz FYADWJPQVMIRMN-SSDOTTSWSA-N -1 3 392.337 3.028 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000179239166 565967824 /nfs/dbraw/zinc/96/78/24/565967824.db2.gz MBFDHHCWSPLHFP-CQSZACIVSA-N -1 3 384.567 3.234 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000286616202 565970466 /nfs/dbraw/zinc/97/04/66/565970466.db2.gz HSVUHYUIDLKLPY-UHFFFAOYSA-N -1 3 394.896 3.169 20 0 GGADHM O=C([N-]c1ncn(-c2ccccn2)n1)c1cc2cc(Br)ccc2o1 ZINC000362043101 565975268 /nfs/dbraw/zinc/97/52/68/565975268.db2.gz WGOBLJDHSACVCV-UHFFFAOYSA-N -1 3 384.193 3.423 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccnc(OCC(F)F)c1 ZINC000179362970 565976080 /nfs/dbraw/zinc/97/60/80/565976080.db2.gz YISSAIKROMQRBK-UHFFFAOYSA-N -1 3 387.180 3.124 20 0 GGADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)Nc1nccs1 ZINC000179411598 565979267 /nfs/dbraw/zinc/97/92/67/565979267.db2.gz IGYMCWBSSXWIKZ-SECBINFHSA-N -1 3 393.943 3.190 20 0 GGADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000362662832 565981999 /nfs/dbraw/zinc/98/19/99/565981999.db2.gz FIXOAKPJICZTQE-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000179460885 565982055 /nfs/dbraw/zinc/98/20/55/565982055.db2.gz QNEJJGYSHOKWTD-HNNXBMFYSA-N -1 3 383.828 3.232 20 0 GGADHM CCc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000242568860 565983549 /nfs/dbraw/zinc/98/35/49/565983549.db2.gz CFVQBUGKFDYBPT-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1Cl ZINC000179494070 565984535 /nfs/dbraw/zinc/98/45/35/565984535.db2.gz IKOXYVVJMYPLGD-KRWDZBQOSA-N -1 3 388.867 3.341 20 0 GGADHM CC[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000243955509 565985998 /nfs/dbraw/zinc/98/59/98/565985998.db2.gz RZFQQVSJLBBVGB-NSHDSACASA-N -1 3 379.309 3.063 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1c[nH]c2cc(F)ccc12 ZINC000243547818 565986287 /nfs/dbraw/zinc/98/62/87/565986287.db2.gz OINJKVMJTOZFJR-UHFFFAOYSA-N -1 3 382.844 3.490 20 0 GGADHM Cc1cccc([O-])c1NC(=O)COc1ccc(I)cc1 ZINC000179544999 565987933 /nfs/dbraw/zinc/98/79/33/565987933.db2.gz WJQJRWQKRLLWKN-UHFFFAOYSA-N -1 3 383.185 3.323 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000179543142 565987997 /nfs/dbraw/zinc/98/79/97/565987997.db2.gz IWMUWYYBPMRZSJ-GFCCVEGCSA-N -1 3 389.249 3.455 20 0 GGADHM O=C(NCC1CCN(c2ccncc2)CC1)c1cc(Br)ccc1[O-] ZINC000179553143 565989196 /nfs/dbraw/zinc/98/91/96/565989196.db2.gz MMNVWXJHBVNJQY-UHFFFAOYSA-N -1 3 390.281 3.196 20 0 GGADHM COc1cc(C(=O)NCc2ccc(F)cc2Br)cc(OC)c1[O-] ZINC000179596662 565991046 /nfs/dbraw/zinc/99/10/46/565991046.db2.gz WLAGGSWYILIDQI-UHFFFAOYSA-N -1 3 384.201 3.241 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000287001595 565992632 /nfs/dbraw/zinc/99/26/32/565992632.db2.gz 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ZINC000179709503 566002722 /nfs/dbraw/zinc/00/27/22/566002722.db2.gz CVIITMVZVIINOP-MRXNPFEDSA-N -1 3 377.466 3.362 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000287263162 566008256 /nfs/dbraw/zinc/00/82/56/566008256.db2.gz HWTNRNNTTJYTSK-YFKPBYRVSA-N -1 3 389.783 3.389 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2c2cccs2)ccc1F ZINC000287287259 566009401 /nfs/dbraw/zinc/00/94/01/566009401.db2.gz SAISUHHJGTZSPR-CYBMUJFWSA-N -1 3 383.470 3.164 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Br)cc1Cl ZINC000245982156 566013691 /nfs/dbraw/zinc/01/36/91/566013691.db2.gz DFSSJNRWVAAHHF-UHTWSYAYSA-N -1 3 394.718 3.338 20 0 GGADHM CC(=O)c1ncc(C(=O)[N-]c2ccccc2S(=O)(=O)C2CCCC2)s1 ZINC000415710996 566014132 /nfs/dbraw/zinc/01/41/32/566014132.db2.gz OVFUCEYUVTYCLW-UHFFFAOYSA-N -1 3 378.475 3.314 20 0 GGADHM COC(=O)c1cc(NC([O-])=NO[C@H]2CCCCO2)c(C)cc1Br ZINC000287375332 566014285 /nfs/dbraw/zinc/01/42/85/566014285.db2.gz KWANCFKPBHVWGI-ZDUSSCGKSA-N -1 3 387.230 3.124 20 0 GGADHM COC(=O)c1cc(NC(=O)[N-]O[C@H]2CCCCO2)c(C)cc1Br ZINC000287375332 566014290 /nfs/dbraw/zinc/01/42/90/566014290.db2.gz KWANCFKPBHVWGI-ZDUSSCGKSA-N -1 3 387.230 3.124 20 0 GGADHM CC(C)(C)c1ncc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000179872757 566014341 /nfs/dbraw/zinc/01/43/41/566014341.db2.gz FDRVORGPHCKJDS-UHFFFAOYSA-N -1 3 399.607 3.445 20 0 GGADHM COc1cccc(OC)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000287370386 566014352 /nfs/dbraw/zinc/01/43/52/566014352.db2.gz ITQVOGARGQMQEE-VXGBXAGGSA-N -1 3 381.416 3.351 20 0 GGADHM CCCC(C)(C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179883264 566014914 /nfs/dbraw/zinc/01/49/14/566014914.db2.gz SAUGMZJLLIUYLB-UHFFFAOYSA-N -1 3 398.244 3.441 20 0 GGADHM CCC(CC)CNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179913340 566018673 /nfs/dbraw/zinc/01/86/73/566018673.db2.gz SHMMJCANAQJSBM-UHFFFAOYSA-N -1 3 398.244 3.299 20 0 GGADHM CCCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000179909670 566018760 /nfs/dbraw/zinc/01/87/60/566018760.db2.gz 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3 391.873 3.358 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180177865 566041524 /nfs/dbraw/zinc/04/15/24/566041524.db2.gz UKTKGGNROZRPFB-GXTWGEPZSA-N -1 3 391.873 3.358 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000180197844 566043687 /nfs/dbraw/zinc/04/36/87/566043687.db2.gz CHVRNTBUOJQFNF-UHFFFAOYSA-N -1 3 378.263 3.065 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000180199958 566044027 /nfs/dbraw/zinc/04/40/27/566044027.db2.gz PGGUXSZVJSXLNA-UHFFFAOYSA-N -1 3 377.315 3.221 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H]2CCO[C@H]21 ZINC000246871195 566044088 /nfs/dbraw/zinc/04/40/88/566044088.db2.gz LBFRPKROHNVNQF-ZWKOPEQDSA-N -1 3 383.819 3.451 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000180210552 566044834 /nfs/dbraw/zinc/04/48/34/566044834.db2.gz XVOLEKUVHJLAIV-UHFFFAOYSA-N -1 3 397.294 3.310 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1F ZINC000180287702 566051439 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GGADHM Cc1csc(C2([N-]S(=O)(=O)Cc3noc4ccccc43)CCCC2)n1 ZINC000180414176 566061505 /nfs/dbraw/zinc/06/15/05/566061505.db2.gz ZOHQFRHERLLUEN-UHFFFAOYSA-N -1 3 377.491 3.482 20 0 GGADHM [O-]C(=NOCc1ccc(F)cc1Br)Nc1cnc2c(c1)COCC2 ZINC000364633821 566061809 /nfs/dbraw/zinc/06/18/09/566061809.db2.gz SGRJGTKHEPUCDX-UHFFFAOYSA-N -1 3 396.216 3.309 20 0 GGADHM O=C([N-]OCc1ccc(F)cc1Br)Nc1cnc2c(c1)COCC2 ZINC000364633821 566061812 /nfs/dbraw/zinc/06/18/12/566061812.db2.gz SGRJGTKHEPUCDX-UHFFFAOYSA-N -1 3 396.216 3.309 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(Br)cc2)CC1 ZINC000247493431 566061910 /nfs/dbraw/zinc/06/19/10/566061910.db2.gz NHAQKNHFCVFYCW-UHFFFAOYSA-N -1 3 375.148 3.256 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(Br)cc2)CC1 ZINC000247493431 566061912 /nfs/dbraw/zinc/06/19/12/566061912.db2.gz NHAQKNHFCVFYCW-UHFFFAOYSA-N -1 3 375.148 3.256 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000416397907 566062082 /nfs/dbraw/zinc/06/20/82/566062082.db2.gz CCRSPAZQEOXSIQ-SNVBAGLBSA-N -1 3 387.910 3.406 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCc2cc(C)ccc21 ZINC000416395991 566062174 /nfs/dbraw/zinc/06/21/74/566062174.db2.gz YTFWHSDNFOJANQ-HNNXBMFYSA-N -1 3 379.865 3.401 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ncccc1C(F)(F)F ZINC000180442444 566063181 /nfs/dbraw/zinc/06/31/81/566063181.db2.gz XHQWXJWBRCKJPS-UHFFFAOYSA-N -1 3 375.144 3.499 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)sc1C ZINC000416414713 566064848 /nfs/dbraw/zinc/06/48/48/566064848.db2.gz RTMSWTUHODAJEI-UHFFFAOYSA-N -1 3 393.303 3.448 20 0 GGADHM O=c1[n-]c(-c2cc(OCC(F)F)ccn2)nc2ccc(Br)cc12 ZINC000180487741 566066746 /nfs/dbraw/zinc/06/67/46/566066746.db2.gz LHQCVFYBBIBAMO-UHFFFAOYSA-N -1 3 382.164 3.392 20 0 GGADHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000247855157 566067618 /nfs/dbraw/zinc/06/76/18/566067618.db2.gz JIKCPVKYCDWDNQ-UHFFFAOYSA-N -1 3 379.309 3.064 20 0 GGADHM [O-]c1ccc(Br)c(CNc2cc(-c3cccnc3)nn2CCO)c1 ZINC000364755722 566067963 /nfs/dbraw/zinc/06/79/63/566067963.db2.gz CAWXOFFJWHMBMU-UHFFFAOYSA-N -1 3 389.253 3.018 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccncc2C)c(F)cc1Br ZINC000416441099 566068681 /nfs/dbraw/zinc/06/86/81/566068681.db2.gz DPZINCQVGZFNNO-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)cn1C ZINC000416433367 566068758 /nfs/dbraw/zinc/06/87/58/566068758.db2.gz OSJSEDCOCGXEGF-GFCCVEGCSA-N -1 3 378.523 3.063 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C ZINC000416461589 566070647 /nfs/dbraw/zinc/07/06/47/566070647.db2.gz ZXLZCWOAJJXONG-GFCCVEGCSA-N -1 3 379.931 3.183 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1ccco1 ZINC000416459765 566071021 /nfs/dbraw/zinc/07/10/21/566071021.db2.gz SZUPPEYPJBRQLJ-LBPRGKRZSA-N -1 3 389.857 3.006 20 0 GGADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000416474424 566072645 /nfs/dbraw/zinc/07/26/45/566072645.db2.gz RFWRLUAZGKIKAU-GFCCVEGCSA-N -1 3 377.388 3.356 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC1(OC)CCC(C)CC1 ZINC000416478230 566072783 /nfs/dbraw/zinc/07/27/83/566072783.db2.gz ZLZJGZZRPFDWPJ-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000416474425 566072794 /nfs/dbraw/zinc/07/27/94/566072794.db2.gz RFWRLUAZGKIKAU-LBPRGKRZSA-N -1 3 377.388 3.356 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000416474527 566072826 /nfs/dbraw/zinc/07/28/26/566072826.db2.gz HEQVJJJOSNHKJF-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)cn1C ZINC000416475109 566073030 /nfs/dbraw/zinc/07/30/30/566073030.db2.gz IPUIQVIMMRLIFZ-QMMMGPOBSA-N -1 3 382.433 3.058 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000416472352 566073112 /nfs/dbraw/zinc/07/31/12/566073112.db2.gz AKGAHDJZNLLMQE-SNVBAGLBSA-N -1 3 386.461 3.349 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c(F)cc1Br ZINC000416489821 566075157 /nfs/dbraw/zinc/07/51/57/566075157.db2.gz SMAIFKOOBRDYDL-ZDUSSCGKSA-N -1 3 390.278 3.295 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C(F)(F)F ZINC000288478549 566075179 /nfs/dbraw/zinc/07/51/79/566075179.db2.gz SMCXZEOHIYEEGB-LURJTMIESA-N -1 3 392.683 3.287 20 0 GGADHM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c1 ZINC000416487992 566075507 /nfs/dbraw/zinc/07/55/07/566075507.db2.gz NGQTVOOSADFFKC-UHFFFAOYSA-N -1 3 398.834 3.019 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180590338 566076076 /nfs/dbraw/zinc/07/60/76/566076076.db2.gz SBVZGHMONQKDOD-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000416499606 566076512 /nfs/dbraw/zinc/07/65/12/566076512.db2.gz CGDZIHPGNCTRPD-JTQLQIEISA-N -1 3 385.379 3.208 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000416500364 566076925 /nfs/dbraw/zinc/07/69/25/566076925.db2.gz CPJWQSMKMFMKPU-SNVBAGLBSA-N -1 3 380.279 3.072 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000416499835 566077015 /nfs/dbraw/zinc/07/70/15/566077015.db2.gz ALZIPFGEQFODOL-JTQLQIEISA-N -1 3 380.279 3.072 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000416502058 566077851 /nfs/dbraw/zinc/07/78/51/566077851.db2.gz KNHJEGHEYFPYQC-SNVBAGLBSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCCC[C@@H]1C ZINC000248431999 566078434 /nfs/dbraw/zinc/07/84/34/566078434.db2.gz VAHBFMAGRJGQTN-UONOGXRCSA-N -1 3 378.460 3.431 20 0 GGADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CC(C)(C)C)cc1F ZINC000416507320 566079333 /nfs/dbraw/zinc/07/93/33/566079333.db2.gz MYRHLAWPPQCXGT-GFCCVEGCSA-N -1 3 394.534 3.079 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000416522678 566080429 /nfs/dbraw/zinc/08/04/29/566080429.db2.gz JPJNBGSDNQFFQX-SNVBAGLBSA-N -1 3 383.844 3.461 20 0 GGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000416523780 566080540 /nfs/dbraw/zinc/08/05/40/566080540.db2.gz KBQRBLDBKGDETN-ZDUSSCGKSA-N -1 3 393.933 3.237 20 0 GGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000416524390 566081127 /nfs/dbraw/zinc/08/11/27/566081127.db2.gz LLGITWIDZVPISR-OAHLLOKOSA-N -1 3 396.336 3.153 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000416540340 566083324 /nfs/dbraw/zinc/08/33/24/566083324.db2.gz GZZHAUUWCOQRMU-UHFFFAOYSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1F ZINC000180731872 566083665 /nfs/dbraw/zinc/08/36/65/566083665.db2.gz LODXVIDABBAEFK-GOEBONIOSA-N -1 3 375.343 3.052 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ncoc1-c1ccccc1 ZINC000365117213 566084418 /nfs/dbraw/zinc/08/44/18/566084418.db2.gz BYLCBVSRJQVXKV-UHFFFAOYSA-N -1 3 378.837 3.482 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000416542377 566084430 /nfs/dbraw/zinc/08/44/30/566084430.db2.gz CRVSQHRCQJPEOI-KSSFIOAISA-N -1 3 386.583 3.166 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000416546828 566084481 /nfs/dbraw/zinc/08/44/81/566084481.db2.gz UHKXRGQQGNGXRL-UHFFFAOYSA-N -1 3 396.822 3.253 20 0 GGADHM [O-]C(=NOCCC(F)(F)F)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000288662579 566084894 /nfs/dbraw/zinc/08/48/94/566084894.db2.gz AXWOEXOUMLRLTF-UHFFFAOYSA-N -1 3 385.745 3.321 20 0 GGADHM O=C([N-]OCCC(F)(F)F)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000288662579 566084899 /nfs/dbraw/zinc/08/48/99/566084899.db2.gz AXWOEXOUMLRLTF-UHFFFAOYSA-N -1 3 385.745 3.321 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)c(OC)cc1Br ZINC000416560790 566086793 /nfs/dbraw/zinc/08/67/93/566086793.db2.gz RHUVXDWQDNMERD-HNNXBMFYSA-N -1 3 390.299 3.243 20 0 GGADHM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000416558856 566086927 /nfs/dbraw/zinc/08/69/27/566086927.db2.gz PPRVVGXZWABXMX-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@](C)(CC)c2nccs2)c1 ZINC000180786648 566088340 /nfs/dbraw/zinc/08/83/40/566088340.db2.gz PGAZAZPGKDVRLI-INIZCTEOSA-N -1 3 386.470 3.063 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000248763417 566089030 /nfs/dbraw/zinc/08/90/30/566089030.db2.gz GTWPUYPIUTWJBS-CXAGYDPISA-N -1 3 389.293 3.405 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)CC(F)(F)F ZINC000416584076 566090136 /nfs/dbraw/zinc/09/01/36/566090136.db2.gz ANNZPNIEBSZEGQ-SECBINFHSA-N -1 3 377.388 3.357 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000416583598 566090449 /nfs/dbraw/zinc/09/04/49/566090449.db2.gz CMVQPOONVXEOTF-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000416579216 566090735 /nfs/dbraw/zinc/09/07/35/566090735.db2.gz NUDAHYNMBJCKSN-SJORKVTESA-N -1 3 396.306 3.181 20 0 GGADHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H](C)c2nccs2)c1 ZINC000416583014 566090826 /nfs/dbraw/zinc/09/08/26/566090826.db2.gz XMLQFMHNHJPQTK-VIFPVBQESA-N -1 3 391.312 3.095 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)s1 ZINC000416588136 566091128 /nfs/dbraw/zinc/09/11/28/566091128.db2.gz HTIJLSYFBUVJKA-ZIAGYGMSSA-N -1 3 390.546 3.012 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000416591043 566091215 /nfs/dbraw/zinc/09/12/15/566091215.db2.gz KJDFBDWPAFZXKW-OTYXRUKQSA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000416591046 566091284 /nfs/dbraw/zinc/09/12/84/566091284.db2.gz KJDFBDWPAFZXKW-YMTOWFKASA-N -1 3 380.279 3.070 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)ccc1Br ZINC000416590197 566091872 /nfs/dbraw/zinc/09/18/72/566091872.db2.gz BLNBGZQIQOYYRD-MRVPVSSYSA-N -1 3 390.221 3.325 20 0 GGADHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000416589124 566091915 /nfs/dbraw/zinc/09/19/15/566091915.db2.gz RPNRXJRNIBNWRC-CYBMUJFWSA-N -1 3 375.918 3.470 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccs1 ZINC000180826599 566092164 /nfs/dbraw/zinc/09/21/64/566092164.db2.gz BSEZODVHVXTFMJ-JTQLQIEISA-N -1 3 383.470 3.211 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000416598361 566092826 /nfs/dbraw/zinc/09/28/26/566092826.db2.gz UNCFUJZOSRUIRT-UHFFFAOYSA-N -1 3 382.345 3.303 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000416600618 566094016 /nfs/dbraw/zinc/09/40/16/566094016.db2.gz QFZYVHPLCZXVCP-LKFCYVNXSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@@H](C)O1 ZINC000416599195 566094098 /nfs/dbraw/zinc/09/40/98/566094098.db2.gz HMEYYKJPAXLCTE-BBBLOLIVSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000416600621 566094156 /nfs/dbraw/zinc/09/41/56/566094156.db2.gz QFZYVHPLCZXVCP-OTYXRUKQSA-N -1 3 380.279 3.070 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)c1 ZINC000180848216 566094503 /nfs/dbraw/zinc/09/45/03/566094503.db2.gz AHSNJCBORXHKEJ-UHFFFAOYSA-N -1 3 386.470 3.061 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]Cc1nccc(C(F)(F)F)n1 ZINC000416604098 566094784 /nfs/dbraw/zinc/09/47/84/566094784.db2.gz UAXWIMZQFVQFKH-UHFFFAOYSA-N -1 3 381.326 3.053 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)OCC1CC1 ZINC000416604945 566094917 /nfs/dbraw/zinc/09/49/17/566094917.db2.gz WXWWPDLRORHYSQ-UHFFFAOYSA-N -1 3 385.379 3.208 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br)C1CC1 ZINC000416606752 566095173 /nfs/dbraw/zinc/09/51/73/566095173.db2.gz XPAZEPZKKLMKSG-OTYXRUKQSA-N -1 3 380.279 3.070 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H](O)C(C)C ZINC000416619631 566096059 /nfs/dbraw/zinc/09/60/59/566096059.db2.gz KMCPKVHZXKAUNI-YPMHNXCESA-N -1 3 384.723 3.176 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H](C)O1 ZINC000416612516 566096071 /nfs/dbraw/zinc/09/60/71/566096071.db2.gz ZBRCVGNTZOPZJB-UTLUCORTSA-N -1 3 382.707 3.194 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000416616838 566096370 /nfs/dbraw/zinc/09/63/70/566096370.db2.gz AVFGKKOZLCBTGP-UHFFFAOYSA-N -1 3 398.294 3.079 20 0 GGADHM O=C([N-]CCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000180884869 566096617 /nfs/dbraw/zinc/09/66/17/566096617.db2.gz OTWMPFUJEOXDRV-SECBINFHSA-N -1 3 389.365 3.410 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H](O)C(C)C ZINC000416617422 566096626 /nfs/dbraw/zinc/09/66/26/566096626.db2.gz IPVGQKMDGGPMQM-GWCFXTLKSA-N -1 3 384.723 3.176 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000416621571 566097356 /nfs/dbraw/zinc/09/73/56/566097356.db2.gz IUZLLEQGWHGKNE-UHFFFAOYSA-N -1 3 385.507 3.170 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC(F)(F)[C@@H]1O)c1ccc(C(F)(F)F)cc1Cl ZINC000416629223 566097584 /nfs/dbraw/zinc/09/75/84/566097584.db2.gz YJDQDGDOZCSFRW-GXSJLCMTSA-N -1 3 393.761 3.186 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1cccnc1 ZINC000416629099 566097855 /nfs/dbraw/zinc/09/78/55/566097855.db2.gz HBYLDRWXOHDBPG-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC(F)(F)[C@@H]1O)c1c(Cl)ccc2ccccc21 ZINC000416625771 566097912 /nfs/dbraw/zinc/09/79/12/566097912.db2.gz QYAYYAXCYNVYSJ-DZGCQCFKSA-N -1 3 375.824 3.320 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)c1cccnc1 ZINC000416636645 566098934 /nfs/dbraw/zinc/09/89/34/566098934.db2.gz WRGUZNHDDXNDMX-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC12CC2)c1cc(Br)ccc1Br ZINC000416643402 566099721 /nfs/dbraw/zinc/09/97/21/566099721.db2.gz HDMCKJIPQUCLEB-MRVPVSSYSA-N -1 3 395.116 3.290 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)[C@H]1CC1(C)C ZINC000416646211 566099695 /nfs/dbraw/zinc/09/96/95/566099695.db2.gz KWTZPJRFGMWNSE-YPMHNXCESA-N -1 3 388.917 3.410 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC12CC2)c1ccc(Br)cc1Br ZINC000416640762 566100093 /nfs/dbraw/zinc/10/00/93/566100093.db2.gz CNMAQHOMCQOYBX-MRVPVSSYSA-N -1 3 395.116 3.290 20 0 GGADHM COc1cc(/C=C/C(=O)NCCCCOC(C)C)cc(Br)c1[O-] ZINC000180932615 566100957 /nfs/dbraw/zinc/10/09/57/566100957.db2.gz FVQCPBWKFGGUMF-VOTSOKGWSA-N -1 3 386.286 3.498 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n[n-]1 ZINC000180936074 566101110 /nfs/dbraw/zinc/10/11/10/566101110.db2.gz LWXRVJPCMCTNLE-VXGBXAGGSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)[n-]n1 ZINC000180936074 566101112 /nfs/dbraw/zinc/10/11/12/566101112.db2.gz LWXRVJPCMCTNLE-VXGBXAGGSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)n[n-]1 ZINC000180933017 566101145 /nfs/dbraw/zinc/10/11/45/566101145.db2.gz DEQGMYFPTHMKLY-UHFFFAOYSA-N -1 3 395.188 3.222 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)[n-]n1 ZINC000180933017 566101149 /nfs/dbraw/zinc/10/11/49/566101149.db2.gz DEQGMYFPTHMKLY-UHFFFAOYSA-N -1 3 395.188 3.222 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000289004089 566101200 /nfs/dbraw/zinc/10/12/00/566101200.db2.gz ZLPGUQNABSTGPK-UHFFFAOYSA-N -1 3 385.276 3.190 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n[n-]1 ZINC000180936128 566101409 /nfs/dbraw/zinc/10/14/09/566101409.db2.gz LWXRVJPCMCTNLE-RYUDHWBXSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)[n-]n1 ZINC000180936128 566101416 /nfs/dbraw/zinc/10/14/16/566101416.db2.gz LWXRVJPCMCTNLE-RYUDHWBXSA-N -1 3 378.226 3.091 20 0 GGADHM Cc1sc(Cl)nc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000365446323 566101657 /nfs/dbraw/zinc/10/16/57/566101657.db2.gz HOLQBFLDBWXLJU-UHFFFAOYSA-N -1 3 379.869 3.301 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000416670349 566102976 /nfs/dbraw/zinc/10/29/76/566102976.db2.gz YTDPEXRTGUZXHF-MRVWCRGKSA-N -1 3 385.869 3.181 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000180998489 566105734 /nfs/dbraw/zinc/10/57/34/566105734.db2.gz MGOYOPUAZSLVCO-ZDUSSCGKSA-N -1 3 380.231 3.337 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C2CCC(C(F)(F)F)CC2)ccc1F ZINC000289092375 566105598 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Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C2CC2)n1 ZINC000289418350 566121689 /nfs/dbraw/zinc/12/16/89/566121689.db2.gz HORKTBTZYNXNKC-KRWDZBQOSA-N -1 3 376.503 3.400 20 0 GGADHM C[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)CC(F)(F)F ZINC000417044286 566121781 /nfs/dbraw/zinc/12/17/81/566121781.db2.gz QBVCTDLAQZUZME-QMMMGPOBSA-N -1 3 379.180 3.229 20 0 GGADHM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000289506650 566126612 /nfs/dbraw/zinc/12/66/12/566126612.db2.gz LIZFWNVEKJFUOG-SECBINFHSA-N -1 3 394.280 3.341 20 0 GGADHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)/C=C/c2ccccc2Cl)no1 ZINC000289542646 566127217 /nfs/dbraw/zinc/12/72/17/566127217.db2.gz NSGWZANUEWLFAO-BCPZQOPPSA-N -1 3 385.873 3.299 20 0 GGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)s1 ZINC000289561707 566128713 /nfs/dbraw/zinc/12/87/13/566128713.db2.gz OYKHYDLUNJIJTR-UHFFFAOYSA-N -1 3 386.549 3.072 20 0 GGADHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)no1 ZINC000289573705 566129563 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Cn1nc(NC(=O)[N-]OCc2ccc(F)cc2Br)cc1C1CC1 ZINC000289697148 566136640 /nfs/dbraw/zinc/13/66/40/566136640.db2.gz GHAGUFVOOJFIGX-UHFFFAOYSA-N -1 3 383.221 3.452 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1c2ccccc2CC12CCOCC2 ZINC000289747291 566137877 /nfs/dbraw/zinc/13/78/77/566137877.db2.gz YNDDCTLFRLRVOZ-INIZCTEOSA-N -1 3 379.503 3.129 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2Cl)no1 ZINC000417259804 566141578 /nfs/dbraw/zinc/14/15/78/566141578.db2.gz IACMJUMMBLLHSL-SECBINFHSA-N -1 3 382.829 3.034 20 0 GGADHM Cc1ccc(-c2ccc(C(=O)NCC[N-]S(=O)(=O)c3cccs3)s2)o1 ZINC000181460134 566141741 /nfs/dbraw/zinc/14/17/41/566141741.db2.gz WCWQUUMPUGWBLI-UHFFFAOYSA-N -1 3 396.515 3.086 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1noc(C(F)(F)F)n1 ZINC000289864442 566144524 /nfs/dbraw/zinc/14/45/24/566144524.db2.gz NIZHZTFHXNDTAO-UHFFFAOYSA-N -1 3 390.170 3.015 20 0 GGADHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@H]2CCCO[C@@H]21 ZINC000366295932 566144968 /nfs/dbraw/zinc/14/49/68/566144968.db2.gz OTPYDAQRDNKQEO-DFBGVHRSSA-N -1 3 383.286 3.158 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(Cc3ccc(C)s3)nc(=O)c2c1C ZINC000289937057 566148961 /nfs/dbraw/zinc/14/89/61/566148961.db2.gz NWSDRWPDZMRUPH-UHFFFAOYSA-N -1 3 378.475 3.469 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000181601694 566152003 /nfs/dbraw/zinc/15/20/03/566152003.db2.gz JQRLXDZNPRVAMP-NVXWUHKLSA-N -1 3 383.901 3.001 20 0 GGADHM Cc1cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc(F)c1Br ZINC000417524446 566153263 /nfs/dbraw/zinc/15/32/63/566153263.db2.gz JOLDJXAFRNZTFD-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc(F)c1Br ZINC000417524446 566153265 /nfs/dbraw/zinc/15/32/65/566153265.db2.gz JOLDJXAFRNZTFD-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc(F)c1Br ZINC000417524446 566153268 /nfs/dbraw/zinc/15/32/68/566153268.db2.gz JOLDJXAFRNZTFD-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000181636371 566155079 /nfs/dbraw/zinc/15/50/79/566155079.db2.gz GSXKGCXCCCOWOU-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cs1 ZINC000290161993 566159501 /nfs/dbraw/zinc/15/95/01/566159501.db2.gz ORBSBZOTBINKGY-UHFFFAOYSA-N -1 3 378.928 3.143 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1Br ZINC000366575596 566159926 /nfs/dbraw/zinc/15/99/26/566159926.db2.gz FZOKUKGAMWBPKT-YPMHNXCESA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262747416 566160081 /nfs/dbraw/zinc/16/00/81/566160081.db2.gz AQURJUARCYGVEM-PSLIRLAXSA-N -1 3 378.778 3.482 20 0 GGADHM CSCCON=C([O-])Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000290178134 566160750 /nfs/dbraw/zinc/16/07/50/566160750.db2.gz SRBSGQWCFJVCSI-UHFFFAOYSA-N -1 3 378.351 3.446 20 0 GGADHM CSCCO[N-]C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000290178134 566160753 /nfs/dbraw/zinc/16/07/53/566160753.db2.gz SRBSGQWCFJVCSI-UHFFFAOYSA-N -1 3 378.351 3.446 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2csc(COC)n2)c1 ZINC000290172756 566161017 /nfs/dbraw/zinc/16/10/17/566161017.db2.gz PWYPACWZZAUHCF-UHFFFAOYSA-N -1 3 388.898 3.014 20 0 GGADHM CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000181731401 566161914 /nfs/dbraw/zinc/16/19/14/566161914.db2.gz CYHXNWVHWRDXQI-LBPRGKRZSA-N -1 3 389.308 3.002 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(Br)c(F)cc1F ZINC000366636575 566162198 /nfs/dbraw/zinc/16/21/98/566162198.db2.gz VRMMFVPJMUQCAR-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CCC(CC)(OC)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000290239486 566163435 /nfs/dbraw/zinc/16/34/35/566163435.db2.gz BSWLZULIEUMVOE-NSHDSACASA-N -1 3 387.889 3.424 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@@H](C)c2ccccc2Br)CC1 ZINC000262865181 566163846 /nfs/dbraw/zinc/16/38/46/566163846.db2.gz UNCBCAFNXTXAKX-DZGCQCFKSA-N -1 3 397.313 3.298 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1csc(Br)c1)C(=O)[O-] ZINC000417618752 566166854 /nfs/dbraw/zinc/16/68/54/566166854.db2.gz GZBCRRGVFHABBP-SNVBAGLBSA-N -1 3 378.288 3.175 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cc(Br)ccc1F)C(=O)[O-] ZINC000417615838 566166917 /nfs/dbraw/zinc/16/69/17/566166917.db2.gz DBIUBJWGGOHSSR-CYBMUJFWSA-N -1 3 390.249 3.253 20 0 GGADHM Cc1cc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])sc1Br ZINC000417613689 566167180 /nfs/dbraw/zinc/16/71/80/566167180.db2.gz AJLFOXACLVIIFA-LLVKDONJSA-N -1 3 392.315 3.484 20 0 GGADHM O=C([O-])C[C@H](CNCc1cccc(I)c1)C(F)(F)F ZINC000417628528 566167883 /nfs/dbraw/zinc/16/78/83/566167883.db2.gz PJIXRWZGBRGOGC-SECBINFHSA-N -1 3 387.139 3.034 20 0 GGADHM CCCOc1c(Br)cc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)cc1OC ZINC000417627304 566167935 /nfs/dbraw/zinc/16/79/35/566167935.db2.gz UORLXPNPVOEQDO-STQMWFEESA-N -1 3 384.270 3.365 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417628366 566167984 /nfs/dbraw/zinc/16/79/84/566167984.db2.gz WBIIMUZGFHHVMD-ZFWWWQNUSA-N -1 3 390.281 3.371 20 0 GGADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(Br)c(Br)c2)C1 ZINC000417625148 566168030 /nfs/dbraw/zinc/16/80/30/566168030.db2.gz REXZYBGCZLCZIW-UWVGGRQHSA-N -1 3 375.060 3.331 20 0 GGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2ccc(Br)c(Br)c2)C1 ZINC000417625150 566168057 /nfs/dbraw/zinc/16/80/57/566168057.db2.gz REXZYBGCZLCZIW-ZJUUUORDSA-N -1 3 375.060 3.331 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417628364 566168177 /nfs/dbraw/zinc/16/81/77/566168177.db2.gz WBIIMUZGFHHVMD-HIFRSBDPSA-N -1 3 390.281 3.371 20 0 GGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cc(Br)cc(Br)c2)C1 ZINC000417620003 566168466 /nfs/dbraw/zinc/16/84/66/566168466.db2.gz LDROHQAGPCZTIE-BXKDBHETSA-N -1 3 375.060 3.331 20 0 GGADHM COC[C@H](NCc1ccc(OCc2ccccc2)c(Br)c1)C(=O)[O-] ZINC000417627573 566168517 /nfs/dbraw/zinc/16/85/17/566168517.db2.gz OLJGIZBVECIKGN-INIZCTEOSA-N -1 3 394.265 3.217 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cc(F)cc(Br)c1)C(=O)[O-] ZINC000417627665 566169071 /nfs/dbraw/zinc/16/90/71/566169071.db2.gz SSEXKGDMBLYEIE-CYBMUJFWSA-N -1 3 390.249 3.253 20 0 GGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2cc(Br)cc(Br)c2)C1 ZINC000417620007 566168700 /nfs/dbraw/zinc/16/87/00/566168700.db2.gz LDROHQAGPCZTIE-SKDRFNHKSA-N -1 3 375.060 3.331 20 0 GGADHM CC(C)(C)c1ncc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417623119 566168933 /nfs/dbraw/zinc/16/89/33/566168933.db2.gz JITLVEMWZGIDBQ-OAHLLOKOSA-N -1 3 392.297 3.322 20 0 GGADHM CSc1cc2c(cc1CN[C@H](CSCC=C(C)C)C(=O)[O-])OCCO2 ZINC000417630207 566169053 /nfs/dbraw/zinc/16/90/53/566169053.db2.gz UESBEILSJGYXJG-CQSZACIVSA-N -1 3 383.535 3.422 20 0 GGADHM O=C([O-])C[C@@H](CNCc1cccc(I)c1)C(F)(F)F ZINC000417628530 566169059 /nfs/dbraw/zinc/16/90/59/566169059.db2.gz PJIXRWZGBRGOGC-VIFPVBQESA-N -1 3 387.139 3.034 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263011026 566169156 /nfs/dbraw/zinc/16/91/56/566169156.db2.gz BUCWVESHMSZGLV-GXTWGEPZSA-N -1 3 392.297 3.486 20 0 GGADHM C[C@@H]([C@@H](NCc1ccc(F)cc1I)C(=O)[O-])C1CC1 ZINC000417642330 566169318 /nfs/dbraw/zinc/16/93/18/566169318.db2.gz VAXGSPRODLUMRZ-AMIZOPFISA-N -1 3 377.197 3.019 20 0 GGADHM CC(C)(C)n1cc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417635293 566169438 /nfs/dbraw/zinc/16/94/38/566169438.db2.gz WHUHSDQYIHZXAO-HNNXBMFYSA-N -1 3 380.286 3.186 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263011032 566169533 /nfs/dbraw/zinc/16/95/33/566169533.db2.gz BUCWVESHMSZGLV-TZMCWYRMSA-N -1 3 392.297 3.486 20 0 GGADHM O=C([O-])[C@@H](CNCc1cc(Br)cc2c1OCC2)Oc1ccccc1 ZINC000417642976 566170167 /nfs/dbraw/zinc/17/01/67/566170167.db2.gz YDWYYRLJWBSXIP-MRXNPFEDSA-N -1 3 392.249 3.006 20 0 GGADHM COc1c(Cl)cc(Cl)cc1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417671071 566170857 /nfs/dbraw/zinc/17/08/57/566170857.db2.gz XCUQAIANCZUSMI-LBPRGKRZSA-N -1 3 378.252 3.277 20 0 GGADHM O=c1[n-]nc(SCCCc2ccccc2Br)n1C[C@@H]1CCCO1 ZINC000181896678 566171903 /nfs/dbraw/zinc/17/19/03/566171903.db2.gz HZLQLZDQHFPUOS-ZDUSSCGKSA-N -1 3 398.326 3.238 20 0 GGADHM O=C([N-]c1ncc(F)cc1I)c1c(F)cc(F)cc1F ZINC000181890351 566172123 /nfs/dbraw/zinc/17/21/23/566172123.db2.gz FOJGXZCWNCHSBJ-UHFFFAOYSA-N -1 3 396.081 3.495 20 0 GGADHM CN1C(=O)C[C@H](C(=O)Nc2cc(Br)ccc2[O-])c2ccccc21 ZINC000366920418 566176786 /nfs/dbraw/zinc/17/67/86/566176786.db2.gz FZGLMDDOEYKBFL-LBPRGKRZSA-N -1 3 375.222 3.244 20 0 GGADHM CCOc1cc(Br)c(F)cc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000290538786 566178132 /nfs/dbraw/zinc/17/81/32/566178132.db2.gz RRLXLLUVXHVANX-SECBINFHSA-N -1 3 377.210 3.077 20 0 GGADHM CCOc1cc(Br)c(F)cc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000290538786 566178136 /nfs/dbraw/zinc/17/81/36/566178136.db2.gz RRLXLLUVXHVANX-SECBINFHSA-N -1 3 377.210 3.077 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCN1Cc1ccccn1 ZINC000366970341 566179224 /nfs/dbraw/zinc/17/92/24/566179224.db2.gz QGSRRUYFOGLHHR-HNNXBMFYSA-N -1 3 376.254 3.153 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000263386781 566183174 /nfs/dbraw/zinc/18/31/74/566183174.db2.gz YETGVANQSHCRIN-OCCSQVGLSA-N -1 3 378.270 3.320 20 0 GGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000263386780 566183522 /nfs/dbraw/zinc/18/35/22/566183522.db2.gz YETGVANQSHCRIN-JSGCOSHPSA-N -1 3 378.270 3.320 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000263407064 566184039 /nfs/dbraw/zinc/18/40/39/566184039.db2.gz KFXAXMLYGRRCST-ZDUSSCGKSA-N -1 3 378.270 3.240 20 0 GGADHM O=C1CSc2ccc(NC([O-])=NOC/C=C/Cl)cc2N1CC(F)F ZINC000290677173 566184429 /nfs/dbraw/zinc/18/44/29/566184429.db2.gz LSRZCAXLFDFXEF-DAFODLJHSA-N -1 3 377.800 3.196 20 0 GGADHM O=C([N-]OC/C=C/Cl)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000290677173 566184435 /nfs/dbraw/zinc/18/44/35/566184435.db2.gz LSRZCAXLFDFXEF-DAFODLJHSA-N -1 3 377.800 3.196 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CC[C@H](C(=O)[O-])C1 ZINC000263405472 566184450 /nfs/dbraw/zinc/18/44/50/566184450.db2.gz JNKOQSPDIZBTKB-ZDUSSCGKSA-N -1 3 378.270 3.158 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CC[C@@H](C(=O)[O-])C1 ZINC000263405471 566184603 /nfs/dbraw/zinc/18/46/03/566184603.db2.gz JNKOQSPDIZBTKB-CYBMUJFWSA-N -1 3 378.270 3.158 20 0 GGADHM Cc1cc(C(C)(C)C(=O)N2CCc3c(nc[n-]c3=O)C2)ccc1Br ZINC000290711602 566185697 /nfs/dbraw/zinc/18/56/97/566185697.db2.gz MNKAQCNWQSYXOR-UHFFFAOYSA-N -1 3 390.281 3.116 20 0 GGADHM O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(O)cc1[O-] ZINC000182225940 566190898 /nfs/dbraw/zinc/19/08/98/566190898.db2.gz RTPYVOUWZZPVGS-GFCCVEGCSA-N -1 3 391.265 3.117 20 0 GGADHM O=C([O-])[C@@H]1CCCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000263578072 566191334 /nfs/dbraw/zinc/19/13/34/566191334.db2.gz SFSKRZFJCXGEDR-HNNXBMFYSA-N -1 3 376.254 3.345 20 0 GGADHM Oc1[n-]c(N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2nncc1-2 ZINC000290833333 566191350 /nfs/dbraw/zinc/19/13/50/566191350.db2.gz UVECYXWAFIREDR-SNVBAGLBSA-N -1 3 380.235 3.413 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000263577794 566191378 /nfs/dbraw/zinc/19/13/78/566191378.db2.gz RWIZERLSSZVHQP-KRWDZBQOSA-N -1 3 376.254 3.203 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000263658659 566192151 /nfs/dbraw/zinc/19/21/51/566192151.db2.gz GTVGAMAMLSLFJD-UHFFFAOYSA-N -1 3 398.834 3.084 20 0 GGADHM Cn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(-c2ccccc2)n1 ZINC000182328476 566196949 /nfs/dbraw/zinc/19/69/49/566196949.db2.gz SUCCYKMGFIPIID-UHFFFAOYSA-N -1 3 379.844 3.358 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1 ZINC000263829813 566197935 /nfs/dbraw/zinc/19/79/35/566197935.db2.gz ASPUZKZQUXKVAC-UHFFFAOYSA-N -1 3 383.853 3.449 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(C)(C)CCc2ccccc2)s1 ZINC000263845649 566198992 /nfs/dbraw/zinc/19/89/92/566198992.db2.gz JUALUDDPNXXZLR-UHFFFAOYSA-N -1 3 380.535 3.074 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)CCc2cccc(Br)c2)c(=O)[n-]1 ZINC000291016614 566200596 /nfs/dbraw/zinc/20/05/96/566200596.db2.gz FZGHSHGTDRALQY-UHFFFAOYSA-N -1 3 392.297 3.195 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000291017126 566200808 /nfs/dbraw/zinc/20/08/08/566200808.db2.gz MLVALXXXDQVDJD-HOTGVXAUSA-N -1 3 395.297 3.398 20 0 GGADHM Cc1cc(Br)c([O-])c(NC(=O)c2cc(CN3CCCC3)on2)c1 ZINC000291061234 566202641 /nfs/dbraw/zinc/20/26/41/566202641.db2.gz BBJURHRLNWKFGQ-UHFFFAOYSA-N -1 3 380.242 3.299 20 0 GGADHM CCN(CC(F)F)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000182425213 566203698 /nfs/dbraw/zinc/20/36/98/566203698.db2.gz DDMDZFFVVVTSOA-UHFFFAOYSA-N -1 3 382.860 3.144 20 0 GGADHM CCn1nc(C)c([N-]S(=O)(=O)CCc2ccccc2Br)c1C ZINC000291102869 566204555 /nfs/dbraw/zinc/20/45/55/566204555.db2.gz LWYXBODVHIGHSH-UHFFFAOYSA-N -1 3 386.315 3.267 20 0 GGADHM CCc1nc([N-]C(=O)c2coc(-c3ccc(Br)cc3F)n2)n[nH]1 ZINC000182460607 566206918 /nfs/dbraw/zinc/20/69/18/566206918.db2.gz FNTFFTVXSOLQHR-UHFFFAOYSA-N -1 3 380.177 3.176 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1ccc(F)cc1Br ZINC000182490306 566207387 /nfs/dbraw/zinc/20/73/87/566207387.db2.gz IGFJZWKQMJHMAA-UHFFFAOYSA-N -1 3 394.306 3.199 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)cc1Cl ZINC000264218762 566209080 /nfs/dbraw/zinc/20/90/80/566209080.db2.gz VGHIOZLTELFDIO-JTQLQIEISA-N -1 3 388.848 3.330 20 0 GGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000264450108 566216331 /nfs/dbraw/zinc/21/63/31/566216331.db2.gz SAJGTNUJRMVBAM-JTQLQIEISA-N -1 3 385.486 3.104 20 0 GGADHM CCOc1cc(CN2CCC(c3nncn3C)CC2)cc(Br)c1[O-] ZINC000291381744 566217456 /nfs/dbraw/zinc/21/74/56/566217456.db2.gz BAQVZRRZJQIMTK-UHFFFAOYSA-N -1 3 395.301 3.062 20 0 GGADHM C[C@H]1CC(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C[C@H](C)C1 ZINC000182746519 566222405 /nfs/dbraw/zinc/22/24/05/566222405.db2.gz JPPQNWOTVHKFAJ-ZIAGYGMSSA-N -1 3 384.567 3.090 20 0 GGADHM FC(F)(F)c1[n-]c(=NCCCOC[C@H]2CCCO2)sc1Br ZINC000418818712 566225274 /nfs/dbraw/zinc/22/52/74/566225274.db2.gz CGXYYWYFQNBMSB-MRVPVSSYSA-N -1 3 389.237 3.344 20 0 GGADHM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cncc([O-])c1 ZINC000182806108 566225437 /nfs/dbraw/zinc/22/54/37/566225437.db2.gz VNPPCSNBGXMJBO-UHFFFAOYSA-N -1 3 380.275 3.488 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(C)cs1 ZINC000182821158 566225721 /nfs/dbraw/zinc/22/57/21/566225721.db2.gz SQBOXCCGFSUCLS-NSHDSACASA-N -1 3 395.428 3.217 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(C)cs1 ZINC000182821178 566226271 /nfs/dbraw/zinc/22/62/71/566226271.db2.gz SQBOXCCGFSUCLS-LLVKDONJSA-N -1 3 395.428 3.217 20 0 GGADHM O=C(NCCCN=c1[n-]c(C(F)(F)F)c(Br)s1)C1CCC1 ZINC000418896697 566226925 /nfs/dbraw/zinc/22/69/25/566226925.db2.gz VZCRZBPVCJEOKT-UHFFFAOYSA-N -1 3 386.237 3.065 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1CCSCC1 ZINC000264929812 566227521 /nfs/dbraw/zinc/22/75/21/566227521.db2.gz XDVIWBLUXWSUKU-UHFFFAOYSA-N -1 3 382.429 3.159 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)o1 ZINC000291607608 566227992 /nfs/dbraw/zinc/22/79/92/566227992.db2.gz ARZPNRAHTQUBKX-UHFFFAOYSA-N -1 3 378.372 3.155 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000182894503 566228901 /nfs/dbraw/zinc/22/89/01/566228901.db2.gz JXELMSXZPPQYOA-UHFFFAOYSA-N -1 3 395.428 3.001 20 0 GGADHM O=C(c1cc2c(c(Br)c1)OCO2)N1CCCc2cccc([O-])c21 ZINC000182913309 566229645 /nfs/dbraw/zinc/22/96/45/566229645.db2.gz FUJIXOZIPSGOTP-UHFFFAOYSA-N -1 3 376.206 3.476 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000183053196 566236696 /nfs/dbraw/zinc/23/66/96/566236696.db2.gz CSVXZNZGXYTKCN-LBPRGKRZSA-N -1 3 389.249 3.455 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)c(C)o1 ZINC000183121403 566238503 /nfs/dbraw/zinc/23/85/03/566238503.db2.gz LRAJBYNXTNOUSZ-UHFFFAOYSA-N -1 3 380.535 3.289 20 0 GGADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)NCCc1ccc(Cl)cc1 ZINC000419607282 566239704 /nfs/dbraw/zinc/23/97/04/566239704.db2.gz UCRPEVWWGFTPAV-UHFFFAOYSA-N -1 3 377.897 3.305 20 0 GGADHM CCc1ocnc1C(=O)[N-]c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000265721860 566240794 /nfs/dbraw/zinc/24/07/94/566240794.db2.gz SHEIFZXMSBYPOJ-UHFFFAOYSA-N -1 3 385.873 3.173 20 0 GGADHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000265796455 566241879 /nfs/dbraw/zinc/24/18/79/566241879.db2.gz NIJRPDFZBUIEDS-GFCCVEGCSA-N -1 3 393.818 3.448 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CSc2cccc(Br)c2)n[n-]1 ZINC000183278542 566242357 /nfs/dbraw/zinc/24/23/57/566242357.db2.gz IBGZAXPHYOFSLI-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CSc2cccc(Br)c2)[n-]n1 ZINC000183278542 566242359 /nfs/dbraw/zinc/24/23/59/566242359.db2.gz IBGZAXPHYOFSLI-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cccs2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000183264044 566242398 /nfs/dbraw/zinc/24/23/98/566242398.db2.gz AEJFPZWWZGMUMF-GFCCVEGCSA-N -1 3 391.301 3.139 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)n[n-]1 ZINC000183280058 566242571 /nfs/dbraw/zinc/24/25/71/566242571.db2.gz DIKDEDURRLXHLR-RYUDHWBXSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)[n-]n1 ZINC000183280058 566242574 /nfs/dbraw/zinc/24/25/74/566242574.db2.gz DIKDEDURRLXHLR-RYUDHWBXSA-N -1 3 378.226 3.091 20 0 GGADHM O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccc([O-])cc1F ZINC000183259190 566242605 /nfs/dbraw/zinc/24/26/05/566242605.db2.gz SKYAPEPKGYCGCO-UHFFFAOYSA-N -1 3 399.191 3.192 20 0 GGADHM Cc1nc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000265841167 566242636 /nfs/dbraw/zinc/24/26/36/566242636.db2.gz ZOCDDTHHZLLKAC-UHFFFAOYSA-N -1 3 385.486 3.228 20 0 GGADHM C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCCC1 ZINC000183295428 566243119 /nfs/dbraw/zinc/24/31/19/566243119.db2.gz HAFASBDKBNSWMC-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM CCOC(=O)c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n[n-]1 ZINC000183286679 566243214 /nfs/dbraw/zinc/24/32/14/566243214.db2.gz XMINMIPJFKETRT-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM CCOC(=O)c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)[n-]n1 ZINC000183286679 566243216 /nfs/dbraw/zinc/24/32/16/566243216.db2.gz XMINMIPJFKETRT-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)ccc1F ZINC000183303670 566243567 /nfs/dbraw/zinc/24/35/67/566243567.db2.gz OSXGNNVFZCVFAH-ZDUSSCGKSA-N -1 3 384.395 3.430 20 0 GGADHM Cc1ccc([O-])c(CNc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000419742659 566243698 /nfs/dbraw/zinc/24/36/98/566243698.db2.gz OAKLSOXDXZNKQY-UHFFFAOYSA-N -1 3 381.885 3.146 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cn3c(n2)CCCC3)c(Cl)c1Cl ZINC000266127472 566246155 /nfs/dbraw/zinc/24/61/55/566246155.db2.gz FNFQENIAQKCQBD-UHFFFAOYSA-N -1 3 390.292 3.013 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)C2CC2)n1 ZINC000266216139 566247246 /nfs/dbraw/zinc/24/72/46/566247246.db2.gz RGVHVBNDGIKQAA-LBPRGKRZSA-N -1 3 388.312 3.039 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cn(C)nc2C)c(Cl)c1Cl ZINC000266236025 566247619 /nfs/dbraw/zinc/24/76/19/566247619.db2.gz YWNQQSASQRTHQY-VIFPVBQESA-N -1 3 378.281 3.083 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000183482340 566247777 /nfs/dbraw/zinc/24/77/77/566247777.db2.gz MOZZDNDWRHDGJB-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1cc(/C=C/C(=O)N(C[C@@H]2CCOC2)C2CC2)cc(Br)c1[O-] ZINC000183487424 566247783 /nfs/dbraw/zinc/24/77/83/566247783.db2.gz RJVBURKPPUGJPX-NDRDAGNVSA-N -1 3 396.281 3.204 20 0 GGADHM COc1cc(/C=C/C(=O)NCc2c(C)noc2C)cc(Br)c1[O-] ZINC000183486493 566247855 /nfs/dbraw/zinc/24/78/55/566247855.db2.gz NNKSAMNJFUMMRC-SNAWJCMRSA-N -1 3 381.226 3.098 20 0 GGADHM Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000534700527 566250907 /nfs/dbraw/zinc/25/09/07/566250907.db2.gz JGFGSFXRUVTZHH-UHFFFAOYSA-N -1 3 398.278 3.266 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000534710371 566250961 /nfs/dbraw/zinc/25/09/61/566250961.db2.gz ROOCKWKGXLTJDQ-UHFFFAOYSA-N -1 3 383.853 3.165 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000462124691 566251229 /nfs/dbraw/zinc/25/12/29/566251229.db2.gz GGPUUOXJRDOKKW-CYBMUJFWSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462125686 566251139 /nfs/dbraw/zinc/25/11/39/566251139.db2.gz AQHTXGVSBOBPGC-UHFFFAOYSA-N -1 3 399.310 3.325 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000462121838 566251216 /nfs/dbraw/zinc/25/12/16/566251216.db2.gz HLJDUDNDNXXZPW-ZDUSSCGKSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(C)n1cnc(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)n1 ZINC000419919635 566251435 /nfs/dbraw/zinc/25/14/35/566251435.db2.gz FIXSZCPVYMIDOA-UHFFFAOYSA-N -1 3 380.202 3.296 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462129841 566252037 /nfs/dbraw/zinc/25/20/37/566252037.db2.gz HHRRFZIXEILMPU-IUODEOHRSA-N -1 3 391.436 3.211 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000575104646 566252113 /nfs/dbraw/zinc/25/21/13/566252113.db2.gz ORCONEGOSJENDP-VIFPVBQESA-N -1 3 380.242 3.400 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000575104646 566252121 /nfs/dbraw/zinc/25/21/21/566252121.db2.gz ORCONEGOSJENDP-VIFPVBQESA-N -1 3 380.242 3.400 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)Oc1ccccc1 ZINC000462131259 566252158 /nfs/dbraw/zinc/25/21/58/566252158.db2.gz RFZWFQKWHJYQBA-LLVKDONJSA-N -1 3 388.258 3.334 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ncccn1 ZINC000575132638 566252997 /nfs/dbraw/zinc/25/29/97/566252997.db2.gz YOWBYWMBPKDQBG-UHFFFAOYSA-N -1 3 379.791 3.362 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CC1 ZINC000462132403 566253122 /nfs/dbraw/zinc/25/31/22/566253122.db2.gz VGZQFXKYITTXAB-CYBMUJFWSA-N -1 3 382.707 3.196 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)c(C)c1 ZINC000462131938 566253376 /nfs/dbraw/zinc/25/33/76/566253376.db2.gz SQDGKZNXDCXPDX-UHFFFAOYSA-N -1 3 385.844 3.095 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1Cl ZINC000462141448 566254063 /nfs/dbraw/zinc/25/40/63/566254063.db2.gz RYLQZZRMGWDSQY-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000509024372 566255371 /nfs/dbraw/zinc/25/53/71/566255371.db2.gz QKLFZQIDBUSYFK-LLVKDONJSA-N -1 3 386.250 3.348 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000534806951 566255591 /nfs/dbraw/zinc/25/55/91/566255591.db2.gz RPPAFZVWVBCNQP-UHFFFAOYSA-N -1 3 381.523 3.031 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)ccc1C ZINC000481863808 566258255 /nfs/dbraw/zinc/25/82/55/566258255.db2.gz GGAVDDHOQZNZPR-UHFFFAOYSA-N -1 3 380.853 3.343 20 0 GGADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cncc(Br)c1 ZINC000481868313 566259148 /nfs/dbraw/zinc/25/91/48/566259148.db2.gz PEPPSUWLIWKORK-UHFFFAOYSA-N -1 3 389.658 3.233 20 0 GGADHM C[C@@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)s1 ZINC000481903687 566261050 /nfs/dbraw/zinc/26/10/50/566261050.db2.gz XUQSILYCMCYOSV-RXMQYKEDSA-N -1 3 383.193 3.067 20 0 GGADHM C[C@@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)s1 ZINC000481903687 566261057 /nfs/dbraw/zinc/26/10/57/566261057.db2.gz XUQSILYCMCYOSV-RXMQYKEDSA-N -1 3 383.193 3.067 20 0 GGADHM C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)s1 ZINC000481903687 566261062 /nfs/dbraw/zinc/26/10/62/566261062.db2.gz XUQSILYCMCYOSV-RXMQYKEDSA-N -1 3 383.193 3.067 20 0 GGADHM O=S(=O)([N-]C[C@@H](Cc1ccccc1)C(F)(F)F)c1cncc(Cl)c1 ZINC000575221501 566261490 /nfs/dbraw/zinc/26/14/90/566261490.db2.gz XMBBLHOZRVASGP-GFCCVEGCSA-N -1 3 378.803 3.435 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000624955336 566261995 /nfs/dbraw/zinc/26/19/95/566261995.db2.gz NUEMZFSCPDXHGP-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc1Br ZINC000599422067 566263642 /nfs/dbraw/zinc/26/36/42/566263642.db2.gz VVSDGDDXZFRVKP-UHFFFAOYSA-N -1 3 376.194 3.078 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccccn1)Sc1ccc(Br)cc1 ZINC000555963761 566263524 /nfs/dbraw/zinc/26/35/24/566263524.db2.gz LFCYOTQUCMTLRP-NSHDSACASA-N -1 3 387.324 3.303 20 0 GGADHM CC[C@H](C)N(C)CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481931170 566265163 /nfs/dbraw/zinc/26/51/63/566265163.db2.gz YZUDTBRIMPTCMU-JTQLQIEISA-N -1 3 385.896 3.271 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2Cl)cc1 ZINC000534942609 566265550 /nfs/dbraw/zinc/26/55/50/566265550.db2.gz DUAAOFXNZQWJAB-UHFFFAOYSA-N -1 3 382.869 3.289 20 0 GGADHM CCC[C@@]1(CO)CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000555972694 566265719 /nfs/dbraw/zinc/26/57/19/566265719.db2.gz YGPIMWGQODNJSI-SFHVURJKSA-N -1 3 393.281 3.058 20 0 GGADHM Cn1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C(F)(F)F ZINC000445054839 566266176 /nfs/dbraw/zinc/26/61/76/566266176.db2.gz NYJYIWJLYAAVLH-UHFFFAOYSA-N -1 3 393.163 3.229 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)cc1F ZINC000445053148 566266380 /nfs/dbraw/zinc/26/63/80/566266380.db2.gz AQDJZIATIQZOBQ-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM O=S(=O)([N-]Cc1cnn(-c2ccc(Br)cc2)c1)c1cccs1 ZINC000445066216 566266403 /nfs/dbraw/zinc/26/64/03/566266403.db2.gz KLQQQTVYVOWFGE-UHFFFAOYSA-N -1 3 398.307 3.175 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)cc1F ZINC000445048127 566266579 /nfs/dbraw/zinc/26/65/79/566266579.db2.gz KIXFPHLQDPLECD-UHFFFAOYSA-N -1 3 398.264 3.459 20 0 GGADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481937771 566266562 /nfs/dbraw/zinc/26/65/62/566266562.db2.gz LMCKRRHVVUAKTG-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481937771 566266573 /nfs/dbraw/zinc/26/65/73/566266573.db2.gz LMCKRRHVVUAKTG-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481937771 566266581 /nfs/dbraw/zinc/26/65/81/566266581.db2.gz LMCKRRHVVUAKTG-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000534975151 566266869 /nfs/dbraw/zinc/26/68/69/566266869.db2.gz CLWKFQDSDWIWDS-SSDOTTSWSA-N -1 3 382.795 3.079 20 0 GGADHM C[C@H]1[C@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCCN1C ZINC000481933870 566267149 /nfs/dbraw/zinc/26/71/49/566267149.db2.gz RUXZPHPAWXFBHH-JOYOIKCWSA-N -1 3 383.880 3.024 20 0 GGADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)n1 ZINC000462251054 566268984 /nfs/dbraw/zinc/26/89/84/566268984.db2.gz DBVGOTBCANZECG-VIFPVBQESA-N -1 3 380.495 3.325 20 0 GGADHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462260467 566270251 /nfs/dbraw/zinc/27/02/51/566270251.db2.gz OZADILVFRMKPKQ-UHFFFAOYSA-N -1 3 383.311 3.409 20 0 GGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462260862 566270668 /nfs/dbraw/zinc/27/06/68/566270668.db2.gz VQMBXBZATCJMQK-UHFFFAOYSA-N -1 3 399.310 3.109 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000462262280 566270747 /nfs/dbraw/zinc/27/07/47/566270747.db2.gz TWJQWMHVXJVMDV-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000625065095 566271783 /nfs/dbraw/zinc/27/17/83/566271783.db2.gz UQMKVMAMUSSIKP-LERXQTSPSA-N -1 3 392.290 3.133 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000625065093 566272326 /nfs/dbraw/zinc/27/23/26/566272326.db2.gz UQMKVMAMUSSIKP-HONMWMINSA-N -1 3 392.290 3.133 20 0 GGADHM C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1Cl ZINC000445217477 566273472 /nfs/dbraw/zinc/27/34/72/566273472.db2.gz PZZGKQAIGXSMLK-VIFPVBQESA-N -1 3 388.276 3.251 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)cc1 ZINC000575455216 566273562 /nfs/dbraw/zinc/27/35/62/566273562.db2.gz PXLBMEPLERHBOZ-QHCPKHFHSA-N -1 3 387.910 3.166 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000625072881 566274169 /nfs/dbraw/zinc/27/41/69/566274169.db2.gz JKBJIFLANYBKOZ-NSHDSACASA-N -1 3 392.290 3.277 20 0 GGADHM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462284178 566274862 /nfs/dbraw/zinc/27/48/62/566274862.db2.gz RWUCDYHWBHYMMB-UHFFFAOYSA-N -1 3 383.311 3.452 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1C[C@@H](C)O[C@H](C)C1 ZINC000625100029 566275219 /nfs/dbraw/zinc/27/52/19/566275219.db2.gz JWSHWADIPOVLKS-NXEZZACHSA-N -1 3 380.279 3.131 20 0 GGADHM CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc([O-])ccc1Cl ZINC000625105630 566276495 /nfs/dbraw/zinc/27/64/95/566276495.db2.gz YEGXEVCWCQFADO-UHFFFAOYSA-N -1 3 383.897 3.350 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462294933 566276830 /nfs/dbraw/zinc/27/68/30/566276830.db2.gz SXVPQQYQZXLRPZ-GFCCVEGCSA-N -1 3 389.807 3.429 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000625106861 566277272 /nfs/dbraw/zinc/27/72/72/566277272.db2.gz POEAONPCBUJSDW-SMDDNHRTSA-N -1 3 394.306 3.379 20 0 GGADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000625115409 566277543 /nfs/dbraw/zinc/27/75/43/566277543.db2.gz VJJXREYJOZHXMG-MRVPVSSYSA-N -1 3 381.342 3.084 20 0 GGADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)c(C)c1 ZINC000462299461 566278291 /nfs/dbraw/zinc/27/82/91/566278291.db2.gz TZDJFQDIIIMIQL-ZDUSSCGKSA-N -1 3 383.311 3.370 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462302877 566278306 /nfs/dbraw/zinc/27/83/06/566278306.db2.gz YIARGAHUOMTLKQ-CQSZACIVSA-N -1 3 375.343 3.186 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1c(Cl)cccc1Br ZINC000509221237 566278963 /nfs/dbraw/zinc/27/89/63/566278963.db2.gz XRQRLLCHRCVEFX-LLVKDONJSA-N -1 3 396.734 3.322 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000625125310 566278915 /nfs/dbraw/zinc/27/89/15/566278915.db2.gz XJLGVLXZUROFIF-BXUZGUMPSA-N -1 3 392.290 3.133 20 0 GGADHM Cc1cccc2[nH]c(CNC(=O)N=c3cc4ccc(Br)cn4[n-]3)nc21 ZINC000482042752 566279311 /nfs/dbraw/zinc/27/93/11/566279311.db2.gz CURBWYFQFQKEBI-UHFFFAOYSA-N -1 3 399.252 3.025 20 0 GGADHM Cc1cccc2nc(CNC(=O)N=c3cc4ccc(Br)cn4[n-]3)[nH]c21 ZINC000482042752 566279318 /nfs/dbraw/zinc/27/93/18/566279318.db2.gz CURBWYFQFQKEBI-UHFFFAOYSA-N -1 3 399.252 3.025 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000575634516 566279510 /nfs/dbraw/zinc/27/95/10/566279510.db2.gz YQRGEJCYSCYMHU-HIFRSBDPSA-N -1 3 398.937 3.132 20 0 GGADHM CC(C)C[C@H]1OCCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055053 566279468 /nfs/dbraw/zinc/27/94/68/566279468.db2.gz XFPOSSPIFKZWOV-HUUCEWRRSA-N -1 3 395.301 3.234 20 0 GGADHM CC[C@H](CC(F)(F)F)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482043284 566279588 /nfs/dbraw/zinc/27/95/88/566279588.db2.gz DDSPMVPCJGMHNB-SECBINFHSA-N -1 3 379.180 3.371 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C)cc1 ZINC000462312678 566279780 /nfs/dbraw/zinc/27/97/80/566279780.db2.gz KIICSGUEGJSZTI-GJZGRUSLSA-N -1 3 388.555 3.038 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000625122327 566279869 /nfs/dbraw/zinc/27/98/69/566279869.db2.gz WSSJXYUWLHYICO-VIFPVBQESA-N -1 3 393.303 3.435 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1nc2c(s1)CCC2 ZINC000575732823 566280047 /nfs/dbraw/zinc/28/00/47/566280047.db2.gz KTZUBMPZYVXOTG-QMMMGPOBSA-N -1 3 392.424 3.412 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(F)cc1F ZINC000535138451 566280106 /nfs/dbraw/zinc/28/01/06/566280106.db2.gz SVWYTXXPGMKHAD-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000625125313 566280034 /nfs/dbraw/zinc/28/00/34/566280034.db2.gz XJLGVLXZUROFIF-SMDDNHRTSA-N -1 3 392.290 3.133 20 0 GGADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462305137 566280206 /nfs/dbraw/zinc/28/02/06/566280206.db2.gz ZUFQSJMLCQOYGZ-GFCCVEGCSA-N -1 3 399.310 3.325 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)Cc2ccccc2C1 ZINC000462312090 566280233 /nfs/dbraw/zinc/28/02/33/566280233.db2.gz JKVBLXAYAUETIO-UHFFFAOYSA-N -1 3 399.343 3.371 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C)cc1 ZINC000462312679 566280241 /nfs/dbraw/zinc/28/02/41/566280241.db2.gz KIICSGUEGJSZTI-HUUCEWRRSA-N -1 3 388.555 3.038 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cn1)c1nc(C)cs1 ZINC000462303359 566280424 /nfs/dbraw/zinc/28/04/24/566280424.db2.gz QMWIJGZDVFVTRV-CYBMUJFWSA-N -1 3 390.328 3.213 20 0 GGADHM CS[C@@H]1CCCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482075299 566280618 /nfs/dbraw/zinc/28/06/18/566280618.db2.gz CPARWLSSLWUUBV-CYBMUJFWSA-N -1 3 383.315 3.268 20 0 GGADHM CN(Cc1ccc(F)cc1F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482077488 566281180 /nfs/dbraw/zinc/28/11/80/566281180.db2.gz FLZRVJCIHFYBBY-UHFFFAOYSA-N -1 3 395.207 3.461 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000535149718 566281502 /nfs/dbraw/zinc/28/15/02/566281502.db2.gz RMDQBKBUYRDZHT-HNNXBMFYSA-N -1 3 377.865 3.020 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC[C@H](C)c2ccc(OC)cc2)c1 ZINC000462317691 566281883 /nfs/dbraw/zinc/28/18/83/566281883.db2.gz CRGWIBSECYQNAK-LBPRGKRZSA-N -1 3 383.491 3.015 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2OC)c1 ZINC000462317109 566281932 /nfs/dbraw/zinc/28/19/32/566281932.db2.gz VCHJXMPUCMVHIR-MSOLQXFVSA-N -1 3 381.881 3.366 20 0 GGADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)nn1[C@@H](C)C1CC1 ZINC000648431902 566282343 /nfs/dbraw/zinc/28/23/43/566282343.db2.gz IQPAWBVNAXSZKQ-VIFPVBQESA-N -1 3 375.782 3.249 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C12CCC2 ZINC000462321696 566282686 /nfs/dbraw/zinc/28/26/86/566282686.db2.gz NWRSGSMCKJDSJH-NXEZZACHSA-N -1 3 380.329 3.137 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCO1 ZINC000482084460 566282659 /nfs/dbraw/zinc/28/26/59/566282659.db2.gz PDZCMZDYXIPXJS-DZGCQCFKSA-N -1 3 395.301 3.234 20 0 GGADHM COc1cc(C)ccc1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482079650 566282794 /nfs/dbraw/zinc/28/27/94/566282794.db2.gz SKFOLJQOIZOCGV-UHFFFAOYSA-N -1 3 389.253 3.157 20 0 GGADHM CCCCOC1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482104624 566283006 /nfs/dbraw/zinc/28/30/06/566283006.db2.gz PBYVMZGGBLWNJH-UHFFFAOYSA-N -1 3 395.301 3.332 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H](c1cccnc1)C1CC1 ZINC000482084715 566283023 /nfs/dbraw/zinc/28/30/23/566283023.db2.gz PPRWYBWVYSPZDW-MRXNPFEDSA-N -1 3 386.253 3.187 20 0 GGADHM CCN(CCc1nccs1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482103345 566283099 /nfs/dbraw/zinc/28/30/99/566283099.db2.gz MQGBYBJQBASNAC-UHFFFAOYSA-N -1 3 394.298 3.072 20 0 GGADHM C[C@@H]1Cc2ccccc2CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482086611 566283169 /nfs/dbraw/zinc/28/31/69/566283169.db2.gz YDQXMIMDQGHZFU-GFCCVEGCSA-N -1 3 385.265 3.497 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C12CCC2 ZINC000462327226 566283543 /nfs/dbraw/zinc/28/35/43/566283543.db2.gz NNEWIHXTUBPLFY-ZIAGYGMSSA-N -1 3 392.290 3.214 20 0 GGADHM C[C@H](OCc1ccc(F)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431143 566283540 /nfs/dbraw/zinc/28/35/40/566283540.db2.gz JLUPHRBSBIIXHH-VIFPVBQESA-N -1 3 379.741 3.204 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)nc1)c1cc(F)cc(Cl)c1 ZINC000535158984 566283647 /nfs/dbraw/zinc/28/36/47/566283647.db2.gz WHMWMVMALRXNKV-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM CN(CCc1ccc(F)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482085715 566283793 /nfs/dbraw/zinc/28/37/93/566283793.db2.gz UQLGJVYMPTUTGI-UHFFFAOYSA-N -1 3 391.244 3.364 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C12CCC2 ZINC000462328347 566284167 /nfs/dbraw/zinc/28/41/67/566284167.db2.gz ROQFIMWIOPXGPA-UONOGXRCSA-N -1 3 392.290 3.214 20 0 GGADHM CC(C)(C)OCc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)no1 ZINC000648432225 566284453 /nfs/dbraw/zinc/28/44/53/566284453.db2.gz UGKCENYFILQKPE-UHFFFAOYSA-N -1 3 380.754 3.076 20 0 GGADHM CCOc1cccc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482113160 566284744 /nfs/dbraw/zinc/28/47/44/566284744.db2.gz JWGJSQOEVLFDTO-UHFFFAOYSA-N -1 3 389.253 3.239 20 0 GGADHM COc1cccc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482107972 566284836 /nfs/dbraw/zinc/28/48/36/566284836.db2.gz XEDDEEVPBOLJBL-NSHDSACASA-N -1 3 389.253 3.410 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC(C(F)(F)F)CC1 ZINC000482126658 566284958 /nfs/dbraw/zinc/28/49/58/566284958.db2.gz ALEUQSNKLLBWAI-UHFFFAOYSA-N -1 3 391.191 3.325 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C12CCC2 ZINC000462328349 566285008 /nfs/dbraw/zinc/28/50/08/566285008.db2.gz ROQFIMWIOPXGPA-ZIAGYGMSSA-N -1 3 392.290 3.214 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648432046 566284932 /nfs/dbraw/zinc/28/49/32/566284932.db2.gz NOTIOBAKMYIBPS-SNVBAGLBSA-N -1 3 375.778 3.347 20 0 GGADHM COCC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccco1 ZINC000482115099 566285099 /nfs/dbraw/zinc/28/50/99/566285099.db2.gz RYUMGBWGTBAZHI-ZDUSSCGKSA-N -1 3 393.241 3.011 20 0 GGADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nc2ccccc2[nH]1 ZINC000482128006 566285230 /nfs/dbraw/zinc/28/52/30/566285230.db2.gz FVTTVUXEELUVMQ-JTQLQIEISA-N -1 3 399.252 3.278 20 0 GGADHM COc1cccc([C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482107970 566285286 /nfs/dbraw/zinc/28/52/86/566285286.db2.gz XEDDEEVPBOLJBL-LLVKDONJSA-N -1 3 389.253 3.410 20 0 GGADHM CCO[C@H](C)c1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000648433082 566285453 /nfs/dbraw/zinc/28/54/53/566285453.db2.gz SANDCJSJJULNTL-SSDOTTSWSA-N -1 3 382.795 3.327 20 0 GGADHM CCO[C@@H](CCNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)C ZINC000482106198 566285451 /nfs/dbraw/zinc/28/54/51/566285451.db2.gz SPVSIYYTQUXURS-AWEZNQCLSA-N -1 3 383.290 3.091 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1nccc2ccccc21 ZINC000482130692 566285526 /nfs/dbraw/zinc/28/55/26/566285526.db2.gz MOOQWAIKGQTPQQ-UHFFFAOYSA-N -1 3 396.248 3.389 20 0 GGADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N=c1[n-]n(C)cc1Br ZINC000648438999 566285705 /nfs/dbraw/zinc/28/57/05/566285705.db2.gz CVHDFAKKBLQMDT-GFCCVEGCSA-N -1 3 380.286 3.442 20 0 GGADHM CCN(Cc1ccccc1Br)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000556321642 566285671 /nfs/dbraw/zinc/28/56/71/566285671.db2.gz CPNTXHMAUXDLSE-UHFFFAOYSA-N -1 3 378.270 3.153 20 0 GGADHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000575804386 566286590 /nfs/dbraw/zinc/28/65/90/566286590.db2.gz NSYQOZQUZXJUBX-UHFFFAOYSA-N -1 3 399.676 3.105 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(SC)c1)c1ccc(C)c(C)c1 ZINC000509281825 566286600 /nfs/dbraw/zinc/28/66/00/566286600.db2.gz LCOICKMWNBHLMK-QGZVFWFLSA-N -1 3 379.503 3.218 20 0 GGADHM O=C(CNC(=O)Cc1ccc([O-])cc1Cl)Nc1cccc(Br)c1 ZINC000482139480 566286729 /nfs/dbraw/zinc/28/67/29/566286729.db2.gz IKBAVZGUAOTHDZ-UHFFFAOYSA-N -1 3 397.656 3.106 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1cc2ccccc2[nH]1 ZINC000482145484 566286749 /nfs/dbraw/zinc/28/67/49/566286749.db2.gz YUVKXMZLNDANTA-UHFFFAOYSA-N -1 3 384.237 3.322 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCCC1)c1ccc(Cl)s1 ZINC000482136911 566286880 /nfs/dbraw/zinc/28/68/80/566286880.db2.gz CROCCHBPTHDENL-UHFFFAOYSA-N -1 3 395.015 3.432 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCC2=CCCCC2)c1OC ZINC000556334185 566286896 /nfs/dbraw/zinc/28/68/96/566286896.db2.gz VRTVJEVNZNWFBF-UHFFFAOYSA-N -1 3 387.885 3.304 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(CC[C@@H]4CCCO4)n3)[n-]2)c1 ZINC000556332329 566287344 /nfs/dbraw/zinc/28/73/44/566287344.db2.gz TXQAIQLINOBZON-LBPRGKRZSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(CC[C@@H]4CCCO4)n3)n2)c1 ZINC000556332329 566287352 /nfs/dbraw/zinc/28/73/52/566287352.db2.gz TXQAIQLINOBZON-LBPRGKRZSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(CC[C@@H]4CCCO4)n3)n[n-]2)c1 ZINC000556332329 566287356 /nfs/dbraw/zinc/28/73/56/566287356.db2.gz TXQAIQLINOBZON-LBPRGKRZSA-N -1 3 390.241 3.396 20 0 GGADHM Cc1cnc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000482145758 566287334 /nfs/dbraw/zinc/28/73/34/566287334.db2.gz ZTWXZWQRLTZFGD-VIFPVBQESA-N -1 3 380.271 3.166 20 0 GGADHM Cn1cccc1[C@@H]1CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482134393 566287378 /nfs/dbraw/zinc/28/73/78/566287378.db2.gz WMGFWHDTJWIION-HNNXBMFYSA-N -1 3 388.269 3.226 20 0 GGADHM Cc1cnc([C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000482145756 566287408 /nfs/dbraw/zinc/28/74/08/566287408.db2.gz ZTWXZWQRLTZFGD-SECBINFHSA-N -1 3 380.271 3.166 20 0 GGADHM COc1cccc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482141971 566287422 /nfs/dbraw/zinc/28/74/22/566287422.db2.gz ODPDLRVDBCYWQZ-UHFFFAOYSA-N -1 3 389.253 3.191 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482170735 566288481 /nfs/dbraw/zinc/28/84/81/566288481.db2.gz RQOVVTKBEBVZCM-KGLIPLIRSA-N -1 3 395.301 3.186 20 0 GGADHM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000556351645 566288530 /nfs/dbraw/zinc/28/85/30/566288530.db2.gz FJLOQHUAUZIMGP-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM O=C(NC[C@@H]1COc2ccccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000575811464 566288822 /nfs/dbraw/zinc/28/88/22/566288822.db2.gz YODMXOYCHMHZKW-LLVKDONJSA-N -1 3 399.244 3.197 20 0 GGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc2c(c1)N(CC(F)F)CCS2 ZINC000556351394 566288867 /nfs/dbraw/zinc/28/88/67/566288867.db2.gz XQSKNHQGEBPLPP-CYBMUJFWSA-N -1 3 392.493 3.175 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1cc2ccccc2[nH]1 ZINC000482159474 566289092 /nfs/dbraw/zinc/28/90/92/566289092.db2.gz PFFWLOCFJNVLCE-UHFFFAOYSA-N -1 3 398.264 3.364 20 0 GGADHM CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599720661 566289593 /nfs/dbraw/zinc/28/95/93/566289593.db2.gz IIVJLACWQILQTF-GFCCVEGCSA-N -1 3 384.270 3.350 20 0 GGADHM CCOc1cc(-c2noc(-c3cc(I)c[nH]3)n2)ccc1[O-] ZINC000445426235 566289777 /nfs/dbraw/zinc/28/97/77/566289777.db2.gz IQZDXWMCHWGPTQ-UHFFFAOYSA-N -1 3 397.172 3.441 20 0 GGADHM CS[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)(C)C ZINC000482179395 566290175 /nfs/dbraw/zinc/29/01/75/566290175.db2.gz ATMYQQPTZBAJIV-GFCCVEGCSA-N -1 3 385.331 3.418 20 0 GGADHM COCC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(C)(C)C ZINC000482179267 566290344 /nfs/dbraw/zinc/29/03/44/566290344.db2.gz ADMYKRSVAGYJBN-ZDUSSCGKSA-N -1 3 383.290 3.091 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccco1 ZINC000420639715 566290775 /nfs/dbraw/zinc/29/07/75/566290775.db2.gz ACRHWANFQMHPSL-LLVKDONJSA-N -1 3 394.827 3.116 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccco1 ZINC000420639720 566290950 /nfs/dbraw/zinc/29/09/50/566290950.db2.gz ACRHWANFQMHPSL-NSHDSACASA-N -1 3 394.827 3.116 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc(F)c(F)c1 ZINC000482184686 566291243 /nfs/dbraw/zinc/29/12/43/566291243.db2.gz JRMPGLKAPRZJTQ-UHFFFAOYSA-N -1 3 381.180 3.119 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000420659999 566291887 /nfs/dbraw/zinc/29/18/87/566291887.db2.gz JKISYSFOANVPPO-GFCCVEGCSA-N -1 3 376.931 3.430 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1cccc2cc[nH]c21 ZINC000482203871 566291976 /nfs/dbraw/zinc/29/19/76/566291976.db2.gz BAGYNSZLHBETQW-UHFFFAOYSA-N -1 3 384.237 3.322 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000482211183 566292215 /nfs/dbraw/zinc/29/22/15/566292215.db2.gz ODYIQISROWZJML-BBRMVZONSA-N -1 3 385.265 3.271 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000482191387 566292391 /nfs/dbraw/zinc/29/23/91/566292391.db2.gz GNYINNBAVRRJSD-JSGCOSHPSA-N -1 3 378.416 3.157 20 0 GGADHM CC(C)CSCCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482204942 566292476 /nfs/dbraw/zinc/29/24/76/566292476.db2.gz CQPCHVBQSPDUGE-UHFFFAOYSA-N -1 3 385.331 3.420 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCOC2(CCCCC2)C1 ZINC000482200888 566292556 /nfs/dbraw/zinc/29/25/56/566292556.db2.gz QDZYPFWQRGNXBW-UHFFFAOYSA-N -1 3 393.285 3.086 20 0 GGADHM C[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)Oc1ccccc1 ZINC000482199422 566292578 /nfs/dbraw/zinc/29/25/78/566292578.db2.gz KMNPRXQOULPHHS-GFCCVEGCSA-N -1 3 389.253 3.108 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509351756 566293106 /nfs/dbraw/zinc/29/31/06/566293106.db2.gz STSFIVCVBMEBFF-ZJUUUORDSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000482211188 566292932 /nfs/dbraw/zinc/29/29/32/566292932.db2.gz ODYIQISROWZJML-CZUORRHYSA-N -1 3 385.265 3.271 20 0 GGADHM O=S(=O)([N-]Cc1ccsc1Br)c1cc(F)c(F)c(F)c1 ZINC000509343502 566293231 /nfs/dbraw/zinc/29/32/31/566293231.db2.gz KFMGRNTVHSKBQO-UHFFFAOYSA-N -1 3 386.214 3.406 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000482231843 566293576 /nfs/dbraw/zinc/29/35/76/566293576.db2.gz XUBKCUGKUZEYBI-UWVGGRQHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000482231843 566293578 /nfs/dbraw/zinc/29/35/78/566293578.db2.gz XUBKCUGKUZEYBI-UWVGGRQHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000482231843 566293581 /nfs/dbraw/zinc/29/35/81/566293581.db2.gz XUBKCUGKUZEYBI-UWVGGRQHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000482231845 566293647 /nfs/dbraw/zinc/29/36/47/566293647.db2.gz XUBKCUGKUZEYBI-VHSXEESVSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000482231845 566293650 /nfs/dbraw/zinc/29/36/50/566293650.db2.gz XUBKCUGKUZEYBI-VHSXEESVSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000482231845 566293652 /nfs/dbraw/zinc/29/36/52/566293652.db2.gz XUBKCUGKUZEYBI-VHSXEESVSA-N -1 3 389.175 3.006 20 0 GGADHM Cc1ccc(OCCCC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(Cl)c1 ZINC000482226889 566293705 /nfs/dbraw/zinc/29/37/05/566293705.db2.gz AXDUFUGBEIEXGB-UHFFFAOYSA-N -1 3 376.766 3.261 20 0 GGADHM Cc1ccc(OCCCC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000482226889 566293709 /nfs/dbraw/zinc/29/37/09/566293709.db2.gz AXDUFUGBEIEXGB-UHFFFAOYSA-N -1 3 376.766 3.261 20 0 GGADHM Cc1ccc(OCCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC000482226889 566293711 /nfs/dbraw/zinc/29/37/11/566293711.db2.gz AXDUFUGBEIEXGB-UHFFFAOYSA-N -1 3 376.766 3.261 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000482228168 566293719 /nfs/dbraw/zinc/29/37/19/566293719.db2.gz JDUJYWHHSFBLOK-ZJUUUORDSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000482228168 566293723 /nfs/dbraw/zinc/29/37/23/566293723.db2.gz JDUJYWHHSFBLOK-ZJUUUORDSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000482228168 566293726 /nfs/dbraw/zinc/29/37/26/566293726.db2.gz JDUJYWHHSFBLOK-ZJUUUORDSA-N -1 3 389.175 3.006 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C2CC2)s1 ZINC000462397295 566293967 /nfs/dbraw/zinc/29/39/67/566293967.db2.gz QLSYOYHZWLTRPN-LBPRGKRZSA-N -1 3 388.312 3.039 20 0 GGADHM C[C@H](CCc1ccco1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482229974 566294006 /nfs/dbraw/zinc/29/40/06/566294006.db2.gz HBEQQAVEGAKIGK-LLVKDONJSA-N -1 3 377.242 3.255 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482231368 566294023 /nfs/dbraw/zinc/29/40/23/566294023.db2.gz KSRINEIOSUGUFE-BLLLJJGKSA-N -1 3 395.301 3.091 20 0 GGADHM CCS[C@H]1CCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234071 566294068 /nfs/dbraw/zinc/29/40/68/566294068.db2.gz VPOVJCTUVLFXMC-OLZOCXBDSA-N -1 3 383.315 3.314 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc(F)cc1F ZINC000482217332 566294114 /nfs/dbraw/zinc/29/41/14/566294114.db2.gz WUIWPVLSYHVZKJ-UHFFFAOYSA-N -1 3 381.180 3.119 20 0 GGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1 ZINC000420665005 566294177 /nfs/dbraw/zinc/29/41/77/566294177.db2.gz ARBYQQRRVLAXNC-QMMMGPOBSA-N -1 3 394.831 3.222 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)CSc1cc(C)c(Br)cc1C ZINC000575879559 566294366 /nfs/dbraw/zinc/29/43/66/566294366.db2.gz YKAMDCFNBOAKEK-UHFFFAOYSA-N -1 3 398.282 3.306 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)cs1 ZINC000420663173 566294333 /nfs/dbraw/zinc/29/43/33/566294333.db2.gz CHCLHRCBCLQQCE-QMMMGPOBSA-N -1 3 396.412 3.070 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)CSc1cc(C)c(Br)cc1C ZINC000575879559 566294373 /nfs/dbraw/zinc/29/43/73/566294373.db2.gz YKAMDCFNBOAKEK-UHFFFAOYSA-N -1 3 398.282 3.306 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H]2CCCO[C@H]21 ZINC000420664134 566294891 /nfs/dbraw/zinc/29/48/91/566294891.db2.gz ACBMYUKKFSGYBW-LERXQTSPSA-N -1 3 395.855 3.423 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1 ZINC000420665002 566294983 /nfs/dbraw/zinc/29/49/83/566294983.db2.gz ARBYQQRRVLAXNC-MRVPVSSYSA-N -1 3 394.831 3.222 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000420665514 566295053 /nfs/dbraw/zinc/29/50/53/566295053.db2.gz BFPBEOMZBZFAGM-XYPHTWIQSA-N -1 3 393.908 3.290 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCCc1cc(Br)ccc1F ZINC000575893350 566295960 /nfs/dbraw/zinc/29/59/60/566295960.db2.gz FOFYEFLXTXUIMO-UHFFFAOYSA-N -1 3 377.217 3.022 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C12CCC2 ZINC000420674614 566296124 /nfs/dbraw/zinc/29/61/24/566296124.db2.gz NGJPUCXYHRUKPK-KBPBESRZSA-N -1 3 379.400 3.053 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000420670214 566296312 /nfs/dbraw/zinc/29/63/12/566296312.db2.gz HICMZMXFWUYRSA-IRXDYDNUSA-N -1 3 380.535 3.080 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000420670212 566296454 /nfs/dbraw/zinc/29/64/54/566296454.db2.gz HICMZMXFWUYRSA-IAGOWNOFSA-N -1 3 380.535 3.080 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000420672775 566296736 /nfs/dbraw/zinc/29/67/36/566296736.db2.gz KNFJAENUKHOEEQ-IRXDYDNUSA-N -1 3 380.535 3.080 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000509376545 566296739 /nfs/dbraw/zinc/29/67/39/566296739.db2.gz BADUPSOIBOSDGC-UHFFFAOYSA-N -1 3 375.324 3.015 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000556407554 566297287 /nfs/dbraw/zinc/29/72/87/566297287.db2.gz UZUVHNKRVUNLHQ-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420668715 566297309 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CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000509387907 566298227 /nfs/dbraw/zinc/29/82/27/566298227.db2.gz OTPARQCVHFIRKY-SECBINFHSA-N -1 3 392.264 3.352 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccc(Cl)c(F)c1 ZINC000535353739 566298537 /nfs/dbraw/zinc/29/85/37/566298537.db2.gz IESMWXNMGHAZEC-INIZCTEOSA-N -1 3 385.844 3.289 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CCOCC1 ZINC000420681379 566298998 /nfs/dbraw/zinc/29/89/98/566298998.db2.gz ZCEYTQHMAROJGV-GFCCVEGCSA-N -1 3 383.844 3.425 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000420675362 566299025 /nfs/dbraw/zinc/29/90/25/566299025.db2.gz JMIPBCNDSOJLAY-UHFFFAOYSA-N -1 3 380.413 3.406 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cccc2c1OCC2)c1nc(C(F)(F)F)cs1 ZINC000420677243 566299126 /nfs/dbraw/zinc/29/91/26/566299126.db2.gz ROUXJSWTGZBIPB-UHFFFAOYSA-N -1 3 392.424 3.310 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(C(C)(C)c2ccc(Cl)cc2F)no1 ZINC000445599228 566299279 /nfs/dbraw/zinc/29/92/79/566299279.db2.gz GRDCWMKTRYBVRD-UHFFFAOYSA-N -1 3 389.880 3.408 20 0 GGADHM CCS(=O)(=O)c1ccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)cc1 ZINC000445595500 566299357 /nfs/dbraw/zinc/29/93/57/566299357.db2.gz FIWVAVYGUZXUDI-UHFFFAOYSA-N -1 3 378.837 3.480 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(Cl)cs1)c1ccc(F)cc1Cl ZINC000509404417 566299606 /nfs/dbraw/zinc/29/96/06/566299606.db2.gz WODSLYYKCGYUSM-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC1 ZINC000420687954 566299820 /nfs/dbraw/zinc/29/98/20/566299820.db2.gz DUYOADVQBSDNQP-UHFFFAOYSA-N -1 3 381.416 3.302 20 0 GGADHM CCOc1ccc(Br)cc1CN(C(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000625257976 566300030 /nfs/dbraw/zinc/30/00/30/566300030.db2.gz KOVNFJUTIFJHOZ-UHFFFAOYSA-N -1 3 392.253 3.148 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO[C@H]1C1CC1 ZINC000420686003 566300079 /nfs/dbraw/zinc/30/00/79/566300079.db2.gz GZDTUWKLUGARGT-DZGCQCFKSA-N -1 3 381.828 3.177 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000420687881 566300289 /nfs/dbraw/zinc/30/02/89/566300289.db2.gz LQQOWAHYFQINDD-IXDOHACOSA-N -1 3 375.918 3.151 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)cs1 ZINC000420683585 566300569 /nfs/dbraw/zinc/30/05/69/566300569.db2.gz VXUVDXKQIRMMJK-MRVPVSSYSA-N -1 3 380.413 3.486 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420685783 566300616 /nfs/dbraw/zinc/30/06/16/566300616.db2.gz ITPBXVBXGIIYCA-YPMHNXCESA-N -1 3 383.844 3.423 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO[C@@H]1C1CC1 ZINC000420686004 566300680 /nfs/dbraw/zinc/30/06/80/566300680.db2.gz GZDTUWKLUGARGT-HIFRSBDPSA-N -1 3 381.828 3.177 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCN2CCCCCC2)c(Cl)c1Cl ZINC000462426603 566300716 /nfs/dbraw/zinc/30/07/16/566300716.db2.gz IFSQHLOFFAKQAC-UHFFFAOYSA-N -1 3 381.325 3.156 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1c(C)noc1C ZINC000420692058 566301522 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COc1cc(Cl)ccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000445671307 566303861 /nfs/dbraw/zinc/30/38/61/566303861.db2.gz BUEYSFFBQZFAFE-UHFFFAOYSA-N -1 3 379.825 3.437 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)s1 ZINC000462441389 566304212 /nfs/dbraw/zinc/30/42/12/566304212.db2.gz NRICNBPTYGVIOI-MNOVXSKESA-N -1 3 395.388 3.360 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)N1CCCC[C@H]1C ZINC000462440424 566304259 /nfs/dbraw/zinc/30/42/59/566304259.db2.gz KPWYTDRNBYAMPP-VXGBXAGGSA-N -1 3 393.322 3.129 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCN2CCC(C)CC2)c(Cl)c1Cl ZINC000462440077 566304503 /nfs/dbraw/zinc/30/45/03/566304503.db2.gz JBPCLPLFTFQFGQ-UHFFFAOYSA-N -1 3 381.325 3.012 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)s1 ZINC000462440804 566304559 /nfs/dbraw/zinc/30/45/59/566304559.db2.gz LQXXZBCCYNTUPO-NSHDSACASA-N -1 3 388.308 3.101 20 0 GGADHM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000420706364 566304807 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COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cc(C)nc(C)c2)cc1Cl ZINC000420702342 566305705 /nfs/dbraw/zinc/30/57/05/566305705.db2.gz SIXLQMPAKOCPQR-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2ccc(C)cc2)s1 ZINC000462459183 566306303 /nfs/dbraw/zinc/30/63/03/566306303.db2.gz LYANBFDRBRRMNQ-UHFFFAOYSA-N -1 3 390.324 3.485 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCN(C)c2ccccc2)s1 ZINC000462451545 566306326 /nfs/dbraw/zinc/30/63/26/566306326.db2.gz MICKLZDQDOTLAJ-UHFFFAOYSA-N -1 3 389.340 3.234 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)OC ZINC000420712488 566306644 /nfs/dbraw/zinc/30/66/44/566306644.db2.gz STRVLIFUCPLJNE-IAGOWNOFSA-N -1 3 375.918 3.152 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000509462406 566306676 /nfs/dbraw/zinc/30/66/76/566306676.db2.gz JEVPQEKNGPIIEP-MRVPVSSYSA-N -1 3 387.807 3.367 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000482424508 566307162 /nfs/dbraw/zinc/30/71/62/566307162.db2.gz IWNNHCLWLZZBRH-LLVKDONJSA-N -1 3 393.818 3.132 20 0 GGADHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000535456749 566307182 /nfs/dbraw/zinc/30/71/82/566307182.db2.gz YVKUAJQQSQERCE-DOMZBBRYSA-N -1 3 379.400 3.106 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)OC)c1 ZINC000625326533 566307386 /nfs/dbraw/zinc/30/73/86/566307386.db2.gz QJCBTLCFIQQJOL-KRWDZBQOSA-N -1 3 387.860 3.295 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)C)c(Br)c1 ZINC000462464108 566307570 /nfs/dbraw/zinc/30/75/70/566307570.db2.gz ACHMZZOSWOHETK-UHFFFAOYSA-N -1 3 385.121 3.454 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCN2CCCC[C@H]2C)s1 ZINC000462469104 566307906 /nfs/dbraw/zinc/30/79/06/566307906.db2.gz AUPRIIUFCPKOQG-LLVKDONJSA-N -1 3 395.388 3.362 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(Br)cc1)NCc1nc2c(s1)CCC2 ZINC000669476736 566308021 /nfs/dbraw/zinc/30/80/21/566308021.db2.gz ZKWQDXXXJLPKIH-CYBMUJFWSA-N -1 3 381.295 3.180 20 0 GGADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1ccco1 ZINC000445734961 566307979 /nfs/dbraw/zinc/30/79/79/566307979.db2.gz UEDVMDJAWAGARM-ZDUSSCGKSA-N -1 3 392.260 3.039 20 0 GGADHM COc1cc(C(=O)[N-]c2nc(C)nn2-c2ccccc2)sc1Br ZINC000535501645 566307983 /nfs/dbraw/zinc/30/79/83/566307983.db2.gz QDRNVURWWAZWEZ-UHFFFAOYSA-N -1 3 393.266 3.083 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c(Cl)c1Cl ZINC000462467262 566308129 /nfs/dbraw/zinc/30/81/29/566308129.db2.gz YYJUKAZJEPKUAW-JTQLQIEISA-N -1 3 393.292 3.176 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1ccc(Br)c(Cl)c1 ZINC000420719705 566308278 /nfs/dbraw/zinc/30/82/78/566308278.db2.gz RDVCKANWLJQEFE-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM COC(=O)c1cnc([N-]C(=O)c2c(F)cc(Br)cc2F)s1 ZINC000445732219 566308329 /nfs/dbraw/zinc/30/83/29/566308329.db2.gz HCXLWUYGGDWXFV-UHFFFAOYSA-N -1 3 377.166 3.223 20 0 GGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H]1COc2ccc(Br)cc21 ZINC000535481565 566308303 /nfs/dbraw/zinc/30/83/03/566308303.db2.gz XALPWASYWHSDSY-CQSZACIVSA-N -1 3 384.233 3.376 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(C(F)(F)F)cc1 ZINC000535514730 566308341 /nfs/dbraw/zinc/30/83/41/566308341.db2.gz VQUYDECGUIFNKB-UHFFFAOYSA-N -1 3 381.173 3.086 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000420716547 566308465 /nfs/dbraw/zinc/30/84/65/566308465.db2.gz KNYGRYAFXOFIAS-UHFFFAOYSA-N -1 3 387.929 3.492 20 0 GGADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420717602 566308664 /nfs/dbraw/zinc/30/86/64/566308664.db2.gz DNOSDPCWEYGSSZ-OAHLLOKOSA-N -1 3 383.844 3.161 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)s1 ZINC000462473355 566309170 /nfs/dbraw/zinc/30/91/70/566309170.db2.gz JRKUNLVGWTWPBI-UHFFFAOYSA-N -1 3 390.280 3.026 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCCCCC2)c(Br)c1 ZINC000462479394 566309275 /nfs/dbraw/zinc/30/92/75/566309275.db2.gz GYSNWAUTPQOIPR-UHFFFAOYSA-N -1 3 390.299 3.237 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000535525343 566309483 /nfs/dbraw/zinc/30/94/83/566309483.db2.gz SLFDXBROULVZCQ-LBPRGKRZSA-N -1 3 392.249 3.346 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1C1CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000535532339 566309574 /nfs/dbraw/zinc/30/95/74/566309574.db2.gz HRZJXZQGQZKTAO-UKRRQHHQSA-N -1 3 384.910 3.309 20 0 GGADHM COc1ccc2c(c1)OC[C@H]2CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000535525336 566309829 /nfs/dbraw/zinc/30/98/29/566309829.db2.gz SLFDXBROULVZCQ-GFCCVEGCSA-N -1 3 392.249 3.346 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000420726244 566310089 /nfs/dbraw/zinc/31/00/89/566310089.db2.gz MZBVVLGZGSBELS-CYBMUJFWSA-N -1 3 383.844 3.017 20 0 GGADHM CCSCCCc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000445742080 566310096 /nfs/dbraw/zinc/31/00/96/566310096.db2.gz SEVKTFWUWGUNEJ-NSHDSACASA-N -1 3 389.930 3.448 20 0 GGADHM CCSCCCc1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000445741414 566310127 /nfs/dbraw/zinc/31/01/27/566310127.db2.gz QBNYUBKHAMNKGT-UHFFFAOYSA-N -1 3 385.486 3.002 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000535532336 566310115 /nfs/dbraw/zinc/31/01/15/566310115.db2.gz HRZJXZQGQZKTAO-HIFRSBDPSA-N -1 3 384.910 3.309 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1OC(F)F ZINC000420728667 566310206 /nfs/dbraw/zinc/31/02/06/566310206.db2.gz PAZQXZGZCGYXRX-WDEREUQCSA-N -1 3 383.844 3.018 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1C1CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000535532306 566310300 /nfs/dbraw/zinc/31/03/00/566310300.db2.gz HRZJXZQGQZKTAO-DZGCQCFKSA-N -1 3 384.910 3.309 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCSC(C)C ZINC000576053383 566310769 /nfs/dbraw/zinc/31/07/69/566310769.db2.gz MKIWEJALZZZNOK-UHFFFAOYSA-N -1 3 386.308 3.017 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)cs1 ZINC000420734387 566310731 /nfs/dbraw/zinc/31/07/31/566310731.db2.gz UQNMUNPJMNGAKR-UHFFFAOYSA-N -1 3 398.840 3.023 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)[C@@H]2CCCO[C@@H]21 ZINC000462482876 566311249 /nfs/dbraw/zinc/31/12/49/566311249.db2.gz BTZFPEQSGCFWDJ-GDLCADMTSA-N -1 3 392.290 3.070 20 0 GGADHM O=S(=O)([N-][C@H](CC(F)F)c1ccccc1)c1cnn(CC(F)(F)F)c1 ZINC000420737194 566311304 /nfs/dbraw/zinc/31/13/04/566311304.db2.gz MAIOSAGLOBJZRO-GFCCVEGCSA-N -1 3 383.342 3.120 20 0 GGADHM CCC[C@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Br)OCC ZINC000625342337 566311375 /nfs/dbraw/zinc/31/13/75/566311375.db2.gz WIWHWRQWORHFEB-CYBMUJFWSA-N -1 3 382.295 3.213 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC000462484770 566311466 /nfs/dbraw/zinc/31/14/66/566311466.db2.gz LHOSQHVHJITKFM-DOMZBBRYSA-N -1 3 384.270 3.498 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCC1 ZINC000420734962 566311873 /nfs/dbraw/zinc/31/18/73/566311873.db2.gz VBFUKFYGEKWFNW-UHFFFAOYSA-N -1 3 383.844 3.427 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cncc(Br)c1)Cc1cccs1 ZINC000462493688 566312195 /nfs/dbraw/zinc/31/21/95/566312195.db2.gz YDQZBJYLIVNZCD-SNVBAGLBSA-N -1 3 375.313 3.063 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CC(F)F)c1ccccc1 ZINC000420738784 566312498 /nfs/dbraw/zinc/31/24/98/566312498.db2.gz NXIWYSRWARAFHV-NSHDSACASA-N -1 3 375.418 3.210 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)c(F)c1 ZINC000462493834 566312653 /nfs/dbraw/zinc/31/26/53/566312653.db2.gz VYPFUVHQPCQQPF-BLLLJJGKSA-N -1 3 384.270 3.498 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000509515415 566312680 /nfs/dbraw/zinc/31/26/80/566312680.db2.gz JFHSBYAZWAIQQX-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1ccc(Br)c(F)c1 ZINC000462493839 566313306 /nfs/dbraw/zinc/31/33/06/566313306.db2.gz VYPFUVHQPCQQPF-WBMJQRKESA-N -1 3 384.270 3.498 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CC(C)C ZINC000462496692 566313395 /nfs/dbraw/zinc/31/33/95/566313395.db2.gz SOCPPOCCWINVDM-LLVKDONJSA-N -1 3 382.309 3.415 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(Cl)cc1F)c1ccc(F)cc1Cl ZINC000509528035 566314389 /nfs/dbraw/zinc/31/43/89/566314389.db2.gz PMDRJOPBLYIZNF-UHFFFAOYSA-N -1 3 382.219 3.057 20 0 GGADHM CC(C)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000648793820 566315266 /nfs/dbraw/zinc/31/52/66/566315266.db2.gz PUKRWYHKTNFTFD-UHFFFAOYSA-N -1 3 379.309 3.061 20 0 GGADHM O=S(=O)([N-]CC1(c2ccc(F)cc2F)CC1)c1cc(F)c(F)c(F)c1 ZINC000535618877 566315505 /nfs/dbraw/zinc/31/55/05/566315505.db2.gz YYLDXCBDJYDYER-UHFFFAOYSA-N -1 3 377.334 3.392 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCOCC1 ZINC000420754683 566315883 /nfs/dbraw/zinc/31/58/83/566315883.db2.gz AZWPVBJCYFYWSU-CYBMUJFWSA-N -1 3 383.897 3.356 20 0 GGADHM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462529070 566316753 /nfs/dbraw/zinc/31/67/53/566316753.db2.gz PRBQBROTDCQMGN-UHFFFAOYSA-N -1 3 399.310 3.208 20 0 GGADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)nn1 ZINC000420766472 566317682 /nfs/dbraw/zinc/31/76/82/566317682.db2.gz SJVMCDKCQMEKBM-UHFFFAOYSA-N -1 3 382.433 3.153 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCOCC1 ZINC000420768709 566318070 /nfs/dbraw/zinc/31/80/70/566318070.db2.gz XJZHEIVNMRXNBI-LLVKDONJSA-N -1 3 382.309 3.164 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000509603491 566319780 /nfs/dbraw/zinc/31/97/80/566319780.db2.gz TYLHVEJKNNYXPN-UHFFFAOYSA-N -1 3 376.375 3.459 20 0 GGADHM COCCN(C(=O)Cc1ccc(Br)cc1[O-])[C@H]1CCCSC1 ZINC000509607226 566321049 /nfs/dbraw/zinc/32/10/49/566321049.db2.gz WDTVWNZUWWZFFT-AWEZNQCLSA-N -1 3 388.327 3.068 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCN3CC=C(C)CC3)s2)cs1 ZINC000576158171 566321057 /nfs/dbraw/zinc/32/10/57/566321057.db2.gz KPWZTXFYONCNGU-UHFFFAOYSA-N -1 3 383.564 3.110 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)c1Cl ZINC000669676658 566321122 /nfs/dbraw/zinc/32/11/22/566321122.db2.gz OWIULSZEBQELIK-UHFFFAOYSA-N -1 3 391.324 3.435 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1c(F)cccc1F ZINC000462546076 566321746 /nfs/dbraw/zinc/32/17/46/566321746.db2.gz QCGTYXHQHIKHFF-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)Nc2ccc(F)cc2)c1Cl ZINC000509626794 566322302 /nfs/dbraw/zinc/32/23/02/566322302.db2.gz UTIRGKCXXYDOPI-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000482638368 566322647 /nfs/dbraw/zinc/32/26/47/566322647.db2.gz ZWTJRYQFGMPSOX-SSDOTTSWSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000482638368 566322650 /nfs/dbraw/zinc/32/26/50/566322650.db2.gz ZWTJRYQFGMPSOX-SSDOTTSWSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000482638368 566322658 /nfs/dbraw/zinc/32/26/58/566322658.db2.gz ZWTJRYQFGMPSOX-SSDOTTSWSA-N -1 3 392.179 3.146 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)c1Cl ZINC000576196570 566323367 /nfs/dbraw/zinc/32/33/67/566323367.db2.gz CSKSMUCGXZTQDS-DOMZBBRYSA-N -1 3 378.321 3.377 20 0 GGADHM [O-]c1cccc(CNc2cc(N3CCOCC3)c(Br)cn2)c1Cl ZINC000648860866 566323466 /nfs/dbraw/zinc/32/34/66/566323466.db2.gz OBALUEASDIIGQO-UHFFFAOYSA-N -1 3 398.688 3.074 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@@H](C)CC ZINC000462564323 566323519 /nfs/dbraw/zinc/32/35/19/566323519.db2.gz GGBMDPQCKLWTRL-XPTSAGLGSA-N -1 3 398.308 3.258 20 0 GGADHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(Br)cc2[O-])nn1 ZINC000535758385 566323783 /nfs/dbraw/zinc/32/37/83/566323783.db2.gz JANOPDPKSOFPRW-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H](C)CC ZINC000462566854 566323714 /nfs/dbraw/zinc/32/37/14/566323714.db2.gz VEGPCKOFHJQEIJ-WFASDCNBSA-N -1 3 382.507 3.066 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)[C@H](C)CC ZINC000462564322 566323842 /nfs/dbraw/zinc/32/38/42/566323842.db2.gz GGBMDPQCKLWTRL-OTYXRUKQSA-N -1 3 398.308 3.258 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N2CCCC2)o1 ZINC000509663224 566326778 /nfs/dbraw/zinc/32/67/78/566326778.db2.gz ISUORUGQUVFFDP-CQSZACIVSA-N -1 3 386.876 3.496 20 0 GGADHM CCCCN(C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@@H](C)CC ZINC000600254591 566328024 /nfs/dbraw/zinc/32/80/24/566328024.db2.gz JRTHNKFJXLZKLU-ZDUSSCGKSA-N -1 3 376.469 3.060 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)[C@H](C)CC ZINC000462585329 566328745 /nfs/dbraw/zinc/32/87/45/566328745.db2.gz UVSXNRNUPLMEPU-BXUZGUMPSA-N -1 3 381.416 3.103 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)[C@H](C)CC ZINC000462585331 566328766 /nfs/dbraw/zinc/32/87/66/566328766.db2.gz UVSXNRNUPLMEPU-RISCZKNCSA-N -1 3 381.416 3.103 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CC ZINC000462599179 566329695 /nfs/dbraw/zinc/32/96/95/566329695.db2.gz YEINTRVEWBBJNY-HZMBPMFUSA-N -1 3 382.309 3.391 20 0 GGADHM Cc1ncc(CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c(=O)[n-]1 ZINC000462593130 566329707 /nfs/dbraw/zinc/32/97/07/566329707.db2.gz OUJWGRKQODLQOF-VIFPVBQESA-N -1 3 382.233 3.202 20 0 GGADHM CCOc1ccc(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)cc1 ZINC000576272004 566330053 /nfs/dbraw/zinc/33/00/53/566330053.db2.gz NZPBQMDSGWJRGV-AWEZNQCLSA-N -1 3 396.281 3.083 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]CC(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000625500186 566330516 /nfs/dbraw/zinc/33/05/16/566330516.db2.gz PDDGXEGIRJPZMP-QGZVFWFLSA-N -1 3 391.892 3.177 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CC ZINC000462599180 566330995 /nfs/dbraw/zinc/33/09/95/566330995.db2.gz YEINTRVEWBBJNY-IINYFYTJSA-N -1 3 382.309 3.391 20 0 GGADHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000509708451 566331882 /nfs/dbraw/zinc/33/18/82/566331882.db2.gz QAPJCTDOJCCSHB-UHFFFAOYSA-N -1 3 383.311 3.409 20 0 GGADHM Cc1nc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)s1 ZINC000669851909 566331958 /nfs/dbraw/zinc/33/19/58/566331958.db2.gz CXIXOBANCIDNRQ-VIFPVBQESA-N -1 3 391.921 3.182 20 0 GGADHM COCCC[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000509719577 566332880 /nfs/dbraw/zinc/33/28/80/566332880.db2.gz NBYSORDKYUQGRY-HNNXBMFYSA-N -1 3 386.901 3.434 20 0 GGADHM COCCC[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000509719578 566333703 /nfs/dbraw/zinc/33/37/03/566333703.db2.gz NBYSORDKYUQGRY-OAHLLOKOSA-N -1 3 386.901 3.434 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccsc1 ZINC000509764793 566335857 /nfs/dbraw/zinc/33/58/57/566335857.db2.gz HDNCFZLOTORBBZ-LBPRGKRZSA-N -1 3 385.816 3.432 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC ZINC000509766686 566336481 /nfs/dbraw/zinc/33/64/81/566336481.db2.gz MDCIPXCMDZPKGE-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM CC[C@@H](C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)N(C)C ZINC000482822268 566336511 /nfs/dbraw/zinc/33/65/11/566336511.db2.gz DRUAILLZXGODRM-ZDUSSCGKSA-N -1 3 385.693 3.193 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCO1 ZINC000535897176 566336594 /nfs/dbraw/zinc/33/65/94/566336594.db2.gz KICLXQXCMKMCOH-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000509772276 566336740 /nfs/dbraw/zinc/33/67/40/566336740.db2.gz PUNWCRBTYCCBAD-PRHODGIISA-N -1 3 386.823 3.261 20 0 GGADHM CCCCOCCOCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000462655102 566336811 /nfs/dbraw/zinc/33/68/11/566336811.db2.gz JFCWORPQROALIW-UHFFFAOYSA-N -1 3 384.325 3.413 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1cc(C(F)(F)F)ccc1Cl ZINC000535898425 566336823 /nfs/dbraw/zinc/33/68/23/566336823.db2.gz PMIPXJGPRLWFFM-SNVBAGLBSA-N -1 3 397.802 3.081 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1ccc(Cl)cc1C(F)(F)F ZINC000535905755 566337174 /nfs/dbraw/zinc/33/71/74/566337174.db2.gz JMWMSHXGIYJJRH-SNVBAGLBSA-N -1 3 397.802 3.081 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1cc(C(F)(F)F)ccc1Cl ZINC000535898424 566337218 /nfs/dbraw/zinc/33/72/18/566337218.db2.gz PMIPXJGPRLWFFM-JTQLQIEISA-N -1 3 397.802 3.081 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)c1Cl ZINC000535897198 566337292 /nfs/dbraw/zinc/33/72/92/566337292.db2.gz LALUIYXPNNUNIC-NSHDSACASA-N -1 3 378.277 3.024 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCCSCC(C)C ZINC000535902502 566337403 /nfs/dbraw/zinc/33/74/03/566337403.db2.gz SWVKAZLSFYZXTE-UHFFFAOYSA-N -1 3 379.931 3.184 20 0 GGADHM Cc1cc(Br)ccc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000600401126 566337647 /nfs/dbraw/zinc/33/76/47/566337647.db2.gz TYGVNHDROABJTE-UHFFFAOYSA-N -1 3 397.294 3.059 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)c1Cl ZINC000535897197 566337547 /nfs/dbraw/zinc/33/75/47/566337547.db2.gz LALUIYXPNNUNIC-LLVKDONJSA-N -1 3 378.277 3.024 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)C(=O)OC(C)(C)C ZINC000462664348 566338128 /nfs/dbraw/zinc/33/81/28/566338128.db2.gz UDHXKSVUNRERMH-CQSZACIVSA-N -1 3 391.917 3.278 20 0 GGADHM COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[O-] ZINC000509787921 566338366 /nfs/dbraw/zinc/33/83/66/566338366.db2.gz HRDBDCPCZYYGMB-UHFFFAOYSA-N -1 3 383.231 3.418 20 0 GGADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1cc(F)cc(Cl)c1 ZINC000535914923 566338433 /nfs/dbraw/zinc/33/84/33/566338433.db2.gz OXVNIOIVHJPMIT-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM Cn1c(CC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nc2c1cccc2F ZINC000535917134 566338554 /nfs/dbraw/zinc/33/85/54/566338554.db2.gz DKOAZYOBMMPVRO-UHFFFAOYSA-N -1 3 385.823 3.026 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)cn1C ZINC000625576802 566338632 /nfs/dbraw/zinc/33/86/32/566338632.db2.gz GDRCSNAAXDFTQZ-OAHLLOKOSA-N -1 3 378.885 3.219 20 0 GGADHM CCc1ccc(-c2csc([N-]C(=O)c3sccc3S(N)(=O)=O)n2)s1 ZINC000669944186 566339227 /nfs/dbraw/zinc/33/92/27/566339227.db2.gz RKZZFNLGALEDAE-UHFFFAOYSA-N -1 3 399.544 3.395 20 0 GGADHM CC(C)(CNC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1 ZINC000482876763 566339594 /nfs/dbraw/zinc/33/95/94/566339594.db2.gz PGLOCNKRHBTIBG-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM CC(C)(CNC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000482876763 566339603 /nfs/dbraw/zinc/33/96/03/566339603.db2.gz PGLOCNKRHBTIBG-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000482876763 566339609 /nfs/dbraw/zinc/33/96/09/566339609.db2.gz PGLOCNKRHBTIBG-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM COc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1[O-] ZINC000509834522 566340620 /nfs/dbraw/zinc/34/06/20/566340620.db2.gz NPHSEMCXOXLKBU-KRWDZBQOSA-N -1 3 392.249 3.377 20 0 GGADHM CC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1[O-] ZINC000576400908 566342333 /nfs/dbraw/zinc/34/23/33/566342333.db2.gz BVWRDWPKCUDLGX-UHFFFAOYSA-N -1 3 375.734 3.411 20 0 GGADHM COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)c([O-])c1 ZINC000446335969 566342537 /nfs/dbraw/zinc/34/25/37/566342537.db2.gz CJGVRQYQMGQILP-GFCCVEGCSA-N -1 3 391.221 3.228 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000462697587 566343282 /nfs/dbraw/zinc/34/32/82/566343282.db2.gz AWTMWXPLKDHSOG-CYBMUJFWSA-N -1 3 388.272 3.229 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccccc1F ZINC000462697710 566343346 /nfs/dbraw/zinc/34/33/46/566343346.db2.gz IWYFWZSXUFYWQP-VIFPVBQESA-N -1 3 394.287 3.396 20 0 GGADHM O=S(=O)([N-][C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1CCOC1 ZINC000462701909 566343382 /nfs/dbraw/zinc/34/33/82/566343382.db2.gz HYPZCAYPPZQOPF-YVEFUNNKSA-N -1 3 387.835 3.416 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462700556 566343510 /nfs/dbraw/zinc/34/35/10/566343510.db2.gz IWWGTDUFPCAGMB-BZNIZROVSA-N -1 3 399.299 3.466 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509878404 566344017 /nfs/dbraw/zinc/34/40/17/566344017.db2.gz NLQUZAISLCRYTM-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccccc1 ZINC000509882996 566344463 /nfs/dbraw/zinc/34/44/63/566344463.db2.gz DYXDIXSJEDDOIE-QGZVFWFLSA-N -1 3 381.881 3.106 20 0 GGADHM O=S(=O)([N-]CCNc1ccccn1)c1cc(Cl)ccc1C(F)(F)F ZINC000509892599 566345656 /nfs/dbraw/zinc/34/56/56/566345656.db2.gz FDKPMTGDQQCITA-UHFFFAOYSA-N -1 3 379.791 3.144 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)CC)cc1 ZINC000462710859 566345914 /nfs/dbraw/zinc/34/59/14/566345914.db2.gz GYSXRAPCPUZABG-CABCVRRESA-N -1 3 390.571 3.331 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CCO)c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000625629672 566345915 /nfs/dbraw/zinc/34/59/15/566345915.db2.gz VIGGSLSITFYQJS-CYBMUJFWSA-N -1 3 392.308 3.242 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](CCO)c2cc(Cl)cc(Cl)c2)s1 ZINC000625629650 566345984 /nfs/dbraw/zinc/34/59/84/566345984.db2.gz UKGVMTAHEBHZOX-GFCCVEGCSA-N -1 3 381.306 3.160 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1(O)CCCC1 ZINC000446364204 566346188 /nfs/dbraw/zinc/34/61/88/566346188.db2.gz QWNYRQQXKHSKIS-UHFFFAOYSA-N -1 3 384.661 3.158 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000462710056 566346316 /nfs/dbraw/zinc/34/63/16/566346316.db2.gz VZGPERVYFUCQPI-CYBMUJFWSA-N -1 3 383.311 3.370 20 0 GGADHM C[C@H](C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)n1cccn1 ZINC000446367205 566346444 /nfs/dbraw/zinc/34/64/44/566346444.db2.gz RYDCOUPFLHVJKW-SECBINFHSA-N -1 3 394.660 3.311 20 0 GGADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1ccoc1 ZINC000509906958 566346666 /nfs/dbraw/zinc/34/66/66/566346666.db2.gz APRKALMUVIBIOP-CQSZACIVSA-N -1 3 392.260 3.039 20 0 GGADHM CC(C)(CNC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1Cl ZINC000482973153 566347411 /nfs/dbraw/zinc/34/74/11/566347411.db2.gz CMKBKTXCBDRTRC-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM CC(C)(CNC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1Cl ZINC000482973153 566347417 /nfs/dbraw/zinc/34/74/17/566347417.db2.gz CMKBKTXCBDRTRC-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1Cl ZINC000482973153 566347423 /nfs/dbraw/zinc/34/74/23/566347423.db2.gz CMKBKTXCBDRTRC-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462722191 566347449 /nfs/dbraw/zinc/34/74/49/566347449.db2.gz OYBUZFNOZLENFO-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000576459343 566348194 /nfs/dbraw/zinc/34/81/94/566348194.db2.gz DEAGROJKAWCROC-HNNXBMFYSA-N -1 3 377.359 3.165 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1)OC ZINC000421149375 566349490 /nfs/dbraw/zinc/34/94/90/566349490.db2.gz FRMKKXCQBGGCTA-HNNXBMFYSA-N -1 3 381.523 3.411 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1)OC ZINC000421152704 566350037 /nfs/dbraw/zinc/35/00/37/566350037.db2.gz LKFAMNBWJADGRW-AWEZNQCLSA-N -1 3 377.388 3.058 20 0 GGADHM COc1c(Br)cc(Br)cc1CNC1(C(=O)[O-])CCC1 ZINC000576485053 566350266 /nfs/dbraw/zinc/35/02/66/566350266.db2.gz HPVMQEXKYSDGPC-UHFFFAOYSA-N -1 3 393.075 3.317 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@](=O)c2ccccc2)c1)OC ZINC000421157684 566350959 /nfs/dbraw/zinc/35/09/59/566350959.db2.gz QVPDCUMUJUCBFZ-XDHUDOTRSA-N -1 3 381.519 3.161 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000446456433 566351120 /nfs/dbraw/zinc/35/11/20/566351120.db2.gz NPFWSRYJHZLBCV-UHFFFAOYSA-N -1 3 382.825 3.082 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000421157311 566351336 /nfs/dbraw/zinc/35/13/36/566351336.db2.gz RLPSKTNCNHJTHV-ZDUSSCGKSA-N -1 3 387.552 3.492 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccoc2)CCCN1c1ccc(Cl)cc1Cl ZINC000509973593 566352137 /nfs/dbraw/zinc/35/21/37/566352137.db2.gz FJOXEQXRCKXJEL-CYBMUJFWSA-N -1 3 389.260 3.060 20 0 GGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000536103160 566352279 /nfs/dbraw/zinc/35/22/79/566352279.db2.gz IQWZLLSTORCCBC-UHFFFAOYSA-N -1 3 383.809 3.046 20 0 GGADHM COc1ccc(CNc2ccc(C(F)(F)F)nn2)c(Br)c1[O-] ZINC000576512919 566353238 /nfs/dbraw/zinc/35/32/38/566353238.db2.gz PMDCBLMVSCJKOW-UHFFFAOYSA-N -1 3 378.148 3.006 20 0 GGADHM COc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c(Br)c1[O-] ZINC000462790921 566353514 /nfs/dbraw/zinc/35/35/14/566353514.db2.gz WHRWARWSWXIWPN-PSLXWICFSA-N -1 3 398.322 3.373 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)s1 ZINC000509991457 566353560 /nfs/dbraw/zinc/35/35/60/566353560.db2.gz GUMROJJGUOZRPP-UHFFFAOYSA-N -1 3 377.516 3.406 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1OC ZINC000576515322 566353938 /nfs/dbraw/zinc/35/39/38/566353938.db2.gz AXLYHZPHFDKJHQ-UHFFFAOYSA-N -1 3 395.424 3.305 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)N(C)C)c(F)c1 ZINC000576523508 566353981 /nfs/dbraw/zinc/35/39/81/566353981.db2.gz PGOVTWVVQZCAPN-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000510003665 566355223 /nfs/dbraw/zinc/35/52/23/566355223.db2.gz WIUNCUGAEKITRV-ZDUSSCGKSA-N -1 3 393.814 3.241 20 0 GGADHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000536154895 566355409 /nfs/dbraw/zinc/35/54/09/566355409.db2.gz JTHRZGAMMJDRKW-GFCCVEGCSA-N -1 3 399.310 3.010 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(SC)c(Br)c1 ZINC000600656107 566355784 /nfs/dbraw/zinc/35/57/84/566355784.db2.gz FZXBFPFMBZOGQU-UHFFFAOYSA-N -1 3 396.328 3.112 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000421230234 566358055 /nfs/dbraw/zinc/35/80/55/566358055.db2.gz HRUSLQMHLVEGRH-LLVKDONJSA-N -1 3 379.404 3.385 20 0 GGADHM CCS[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)C(C)C ZINC000421682427 566400224 /nfs/dbraw/zinc/40/02/24/566400224.db2.gz NUMCYILHUJTOKZ-SECBINFHSA-N -1 3 388.253 3.346 20 0 GGADHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc(OC)c1OC ZINC000536211880 566358451 /nfs/dbraw/zinc/35/84/51/566358451.db2.gz BXNTUMDHSGCHSM-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000510034652 566359425 /nfs/dbraw/zinc/35/94/25/566359425.db2.gz MRCLXWWUCGUNNY-SSDOTTSWSA-N -1 3 382.795 3.079 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Cl)s2)ccc1F ZINC000557067514 566359718 /nfs/dbraw/zinc/35/97/18/566359718.db2.gz UIJBZPCOKRAUPS-QMMMGPOBSA-N -1 3 376.862 3.191 20 0 GGADHM CC1(C)C[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000576597783 566360683 /nfs/dbraw/zinc/36/06/83/566360683.db2.gz NLOMUYAGUAPPMV-LLVKDONJSA-N -1 3 393.281 3.226 20 0 GGADHM O=C(c1cc(=O)[n-]cn1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000625796252 566360681 /nfs/dbraw/zinc/36/06/81/566360681.db2.gz BBOHHBFLFQSDSC-UHFFFAOYSA-N -1 3 382.247 3.420 20 0 GGADHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510057747 566360707 /nfs/dbraw/zinc/36/07/07/566360707.db2.gz MHTWNNXRSXVTLK-SECBINFHSA-N -1 3 387.807 3.226 20 0 GGADHM O=C(C[C@@H]1C=CCCC1)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557094769 566361541 /nfs/dbraw/zinc/36/15/41/566361541.db2.gz VTDSYXFWPVIICB-GFCCVEGCSA-N -1 3 391.320 3.134 20 0 GGADHM O=C(N[C@H](CO)Cc1ccc(F)cc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000483134201 566361540 /nfs/dbraw/zinc/36/15/40/566361540.db2.gz AOFKZOJWYZUWPI-LBPRGKRZSA-N -1 3 379.844 3.264 20 0 GGADHM O=S(=O)([N-][C@@H]1COCc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000557101853 566362083 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CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)c1nncn1C ZINC000510363088 566377316 /nfs/dbraw/zinc/37/73/16/566377316.db2.gz KMGUAVJZDFFCSS-OAHLLOKOSA-N -1 3 378.885 3.297 20 0 GGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000510369784 566378189 /nfs/dbraw/zinc/37/81/89/566378189.db2.gz ROOAHSZTLNCUBT-UHFFFAOYSA-N -1 3 380.293 3.394 20 0 GGADHM COc1ccc(CNCC(=O)Nc2cccc(F)c2)c(Br)c1[O-] ZINC000576793019 566378269 /nfs/dbraw/zinc/37/82/69/566378269.db2.gz HDTCJPDMNRRKTI-UHFFFAOYSA-N -1 3 383.217 3.031 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cncc(Br)c1 ZINC000576778577 566378325 /nfs/dbraw/zinc/37/83/25/566378325.db2.gz SNUXLXWGXWKZQF-UMSPYCQHSA-N -1 3 385.258 3.208 20 0 GGADHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000463032333 566378290 /nfs/dbraw/zinc/37/82/90/566378290.db2.gz IEXZDDFUUQDHIO-OAHLLOKOSA-N -1 3 384.567 3.235 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c[nH]1 ZINC000536503908 566379112 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GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nncn1C ZINC000510462045 566385104 /nfs/dbraw/zinc/38/51/04/566385104.db2.gz RBECZKGLJVVDJM-LBPRGKRZSA-N -1 3 396.822 3.163 20 0 GGADHM COc1cc(C(=O)[N-]c2nnc(C(F)F)s2)cc(OC)c1OC(F)F ZINC000463148310 566385445 /nfs/dbraw/zinc/38/54/45/566385445.db2.gz JLDSHFSHEQDCAR-UHFFFAOYSA-N -1 3 381.307 3.347 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C3(c4ccccc4)CCC3)cnc2c1Cl ZINC000536586591 566386547 /nfs/dbraw/zinc/38/65/47/566386547.db2.gz BQZAEVYWNITMJU-UHFFFAOYSA-N -1 3 376.869 3.049 20 0 GGADHM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463164006 566387047 /nfs/dbraw/zinc/38/70/47/566387047.db2.gz SOCWBZZYWPWVPK-KOLCDFICSA-N -1 3 385.251 3.301 20 0 GGADHM CCN(CC)C(=O)CCC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463167121 566387282 /nfs/dbraw/zinc/38/72/82/566387282.db2.gz VDYOSZGXMWIKID-UHFFFAOYSA-N -1 3 384.267 3.366 20 0 GGADHM Cc1noc(CCCC(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)n1 ZINC000463161656 566387486 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Cc1n[nH]c(=O)c(C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)c1C ZINC000463170691 566389853 /nfs/dbraw/zinc/38/98/53/566389853.db2.gz LHOBLAUHCUHLSD-UHFFFAOYSA-N -1 3 379.207 3.143 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000483570900 566390357 /nfs/dbraw/zinc/39/03/57/566390357.db2.gz YOCWYWIFZHXPER-QMMMGPOBSA-N -1 3 376.408 3.053 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000483570900 566390362 /nfs/dbraw/zinc/39/03/62/566390362.db2.gz YOCWYWIFZHXPER-QMMMGPOBSA-N -1 3 376.408 3.053 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000483570900 566390366 /nfs/dbraw/zinc/39/03/66/566390366.db2.gz YOCWYWIFZHXPER-QMMMGPOBSA-N -1 3 376.408 3.053 20 0 GGADHM CCOC(=O)C(=C([O-])CSc1nc(C(C)(C)C)c[nH]1)c1nc(C)cs1 ZINC000601097575 566390487 /nfs/dbraw/zinc/39/04/87/566390487.db2.gz UTSDVWDMJUAQSG-CYBMUJFWSA-N -1 3 381.523 3.480 20 0 GGADHM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000447158701 566390731 /nfs/dbraw/zinc/39/07/31/566390731.db2.gz RHLVTAAOSUOMMC-UHFFFAOYSA-N -1 3 383.491 3.110 20 0 GGADHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2ccc(Br)c(F)c2)on1 ZINC000649765143 566390996 /nfs/dbraw/zinc/39/09/96/566390996.db2.gz KNQJPDPSVWZVIG-UHFFFAOYSA-N -1 3 391.262 3.319 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000447151742 566391008 /nfs/dbraw/zinc/39/10/08/566391008.db2.gz ZPGHYXSFCQLZIZ-UHFFFAOYSA-N -1 3 393.328 3.410 20 0 GGADHM O=C(NCCCNCc1c(F)ccc([O-])c1F)c1ccc(Br)cc1 ZINC000510525684 566391195 /nfs/dbraw/zinc/39/11/95/566391195.db2.gz VZSFMGJVZGOVHA-UHFFFAOYSA-N -1 3 399.235 3.343 20 0 GGADHM CC1CCN(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000557495433 566391850 /nfs/dbraw/zinc/39/18/50/566391850.db2.gz CUVSHEYMQJRFDN-AWEZNQCLSA-N -1 3 388.917 3.144 20 0 GGADHM CC[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510536475 566391904 /nfs/dbraw/zinc/39/19/04/566391904.db2.gz DZJSEDRYNXDYEH-GOSISDBHSA-N -1 3 381.881 3.405 20 0 GGADHM COC(=O)c1cnc([N-]C(=O)c2c(F)ccc(Br)c2F)s1 ZINC000447191386 566393766 /nfs/dbraw/zinc/39/37/66/566393766.db2.gz LHUSNNVGCHWLQZ-UHFFFAOYSA-N -1 3 377.166 3.223 20 0 GGADHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000510553768 566394656 /nfs/dbraw/zinc/39/46/56/566394656.db2.gz OSMKXZGXJJILRK-NXEZZACHSA-N -1 3 382.707 3.053 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000510553772 566394719 /nfs/dbraw/zinc/39/47/19/566394719.db2.gz OSMKXZGXJJILRK-VHSXEESVSA-N -1 3 382.707 3.053 20 0 GGADHM CC[C@]([N-]S(=O)(=O)Cc1ccccc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510559974 566395379 /nfs/dbraw/zinc/39/53/79/566395379.db2.gz POMUUDRYICBTRW-GOSISDBHSA-N -1 3 381.881 3.238 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1cc(F)ccc1Br ZINC000536704919 566396710 /nfs/dbraw/zinc/39/67/10/566396710.db2.gz KTXSTOBYFRWXHK-UHFFFAOYSA-N -1 3 396.225 3.162 20 0 GGADHM CCc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2)ccc1[O-] ZINC000557549814 566396620 /nfs/dbraw/zinc/39/66/20/566396620.db2.gz KJUJIJNVHDKHFF-UHFFFAOYSA-N -1 3 377.238 3.086 20 0 GGADHM Cc1cc(-c2ncccc2[N-]S(=O)(=O)CCOCC(F)(F)F)cs1 ZINC000557548669 566396729 /nfs/dbraw/zinc/39/67/29/566396729.db2.gz QZPIRBLRYHSEQF-UHFFFAOYSA-N -1 3 380.413 3.439 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)OC ZINC000510583871 566396750 /nfs/dbraw/zinc/39/67/50/566396750.db2.gz KCRUTFLREAKBNZ-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N[C@H](C)CC)c1 ZINC000576997852 566396845 /nfs/dbraw/zinc/39/68/45/566396845.db2.gz ZVIPEWIRJOQWLL-HIFRSBDPSA-N -1 3 376.544 3.084 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OC ZINC000510598821 566397475 /nfs/dbraw/zinc/39/74/75/566397475.db2.gz IZDNDRZOUCCHBD-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCCC(F)(F)C1 ZINC000421678619 566397520 /nfs/dbraw/zinc/39/75/20/566397520.db2.gz BUNSUYXGUHWBJN-SSDOTTSWSA-N -1 3 390.150 3.394 20 0 GGADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccccc1 ZINC000421678690 566397624 /nfs/dbraw/zinc/39/76/24/566397624.db2.gz CLONSTYVGPJKFH-VIFPVBQESA-N -1 3 376.176 3.372 20 0 GGADHM Cc1cc(NC(=O)c2cccc(Br)c2[O-])n(C2CCN(C)CC2)n1 ZINC000536732888 566397939 /nfs/dbraw/zinc/39/79/39/566397939.db2.gz YUCXTTQESXYTQM-UHFFFAOYSA-N -1 3 393.285 3.179 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)s1 ZINC000510598134 566397776 /nfs/dbraw/zinc/39/77/76/566397776.db2.gz FNTXJFUFAMFZEF-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM Cc1c(Cl)cncc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421680174 566398058 /nfs/dbraw/zinc/39/80/58/566398058.db2.gz QNYGZWCIQOJPED-UHFFFAOYSA-N -1 3 397.582 3.239 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1CCC(F)(F)C1 ZINC000421678773 566398075 /nfs/dbraw/zinc/39/80/75/566398075.db2.gz DEOZLPFXTMZGOY-LURJTMIESA-N -1 3 376.123 3.004 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CC[NH+]=C3[O-])c2C)sc1Cl ZINC000447264778 566398289 /nfs/dbraw/zinc/39/82/89/566398289.db2.gz OOZXVQJFZWHPBK-UHFFFAOYSA-N -1 3 385.898 3.349 20 0 GGADHM CCC[C@H]1C[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCO1 ZINC000421681719 566398887 /nfs/dbraw/zinc/39/88/87/566398887.db2.gz IMCITKGHNSGCKX-ZJUUUORDSA-N -1 3 398.223 3.164 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)OC ZINC000510614679 566399293 /nfs/dbraw/zinc/39/92/93/566399293.db2.gz LYBCLYAOUGBKBD-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CCCCS[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421683228 566399702 /nfs/dbraw/zinc/39/97/02/566399702.db2.gz SCTGRGRAYWYUNP-QMMMGPOBSA-N -1 3 388.253 3.490 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000510622887 566399700 /nfs/dbraw/zinc/39/97/00/566399700.db2.gz SPMVINNDFFBQPG-UHFFFAOYSA-N -1 3 398.735 3.038 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([O-])ccc1Cl ZINC000577032249 566399954 /nfs/dbraw/zinc/39/99/54/566399954.db2.gz ONJJBFOKLIUNJI-OAHLLOKOSA-N -1 3 383.206 3.373 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1csc(-c2ccc(Cl)cc2)n1 ZINC000510613718 566399927 /nfs/dbraw/zinc/39/99/27/566399927.db2.gz JONKABGXIWLWSN-UHFFFAOYSA-N -1 3 382.841 3.371 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C1(c2ccccc2)CC1 ZINC000421683826 566399830 /nfs/dbraw/zinc/39/98/30/566399830.db2.gz VJSPRKNTTACLJE-UHFFFAOYSA-N -1 3 388.187 3.300 20 0 GGADHM CCc1nc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)s1 ZINC000421683231 566399968 /nfs/dbraw/zinc/39/99/68/566399968.db2.gz SDPIQWDYBLJDKY-UHFFFAOYSA-N -1 3 397.220 3.209 20 0 GGADHM CC(C)CCO[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681323 566400150 /nfs/dbraw/zinc/40/01/50/566400150.db2.gz GVBRNBOIXNOIJZ-VIFPVBQESA-N -1 3 386.212 3.020 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccncc2F)cc1Cl ZINC000510635785 566401273 /nfs/dbraw/zinc/40/12/73/566401273.db2.gz WMSKBEAODWGKJM-MRVPVSSYSA-N -1 3 389.811 3.011 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1Cc2cccc(Cl)c2C1 ZINC000510640285 566401408 /nfs/dbraw/zinc/40/14/08/566401408.db2.gz SWYQPZABYAHMNG-UHFFFAOYSA-N -1 3 378.837 3.059 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000536769034 566401336 /nfs/dbraw/zinc/40/13/36/566401336.db2.gz YZWFICLHCMDRFJ-UHFFFAOYSA-N -1 3 381.837 3.252 20 0 GGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000536814296 566402961 /nfs/dbraw/zinc/40/29/61/566402961.db2.gz IYXYOHYTOBGDCO-VXGBXAGGSA-N -1 3 393.336 3.451 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2F)c1 ZINC000510657852 566403014 /nfs/dbraw/zinc/40/30/14/566403014.db2.gz LXYLGYPOZVZYIR-SNVBAGLBSA-N -1 3 390.278 3.405 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536817675 566403199 /nfs/dbraw/zinc/40/31/99/566403199.db2.gz RVJNZOUUINDLIX-VHSXEESVSA-N -1 3 396.228 3.003 20 0 GGADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000510684194 566404538 /nfs/dbraw/zinc/40/45/38/566404538.db2.gz RTOQCAHJZUJKJF-FHLIZLRMSA-N -1 3 380.897 3.365 20 0 GGADHM Cc1cc2c(ncnc2SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000447328817 566404619 /nfs/dbraw/zinc/40/46/19/566404619.db2.gz CZPPYNWPHJVDGM-UHFFFAOYSA-N -1 3 393.515 3.346 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000557658693 566405723 /nfs/dbraw/zinc/40/57/23/566405723.db2.gz GGPBGTSFKSDVBT-ZDUSSCGKSA-N -1 3 385.835 3.434 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2F)nc1C ZINC000510693839 566405747 /nfs/dbraw/zinc/40/57/47/566405747.db2.gz TYRPJVWPQJNLMM-VIFPVBQESA-N -1 3 390.278 3.153 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000510693097 566406134 /nfs/dbraw/zinc/40/61/34/566406134.db2.gz MWORZWUXPLMCJH-UHFFFAOYSA-N -1 3 391.262 3.407 20 0 GGADHM O=S(=O)([N-]CCNc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1F ZINC000557663313 566406497 /nfs/dbraw/zinc/40/64/97/566406497.db2.gz ZGXFSOFQVOGNDT-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM FC(F)C(F)(F)COCCN=c1ncc2scc(Br)c2[n-]1 ZINC000577125202 566407012 /nfs/dbraw/zinc/40/70/12/566407012.db2.gz YMLBAKOCHSZXMN-UHFFFAOYSA-N -1 3 388.184 3.205 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1cnc(C)s1 ZINC000601500019 566409868 /nfs/dbraw/zinc/40/98/68/566409868.db2.gz TZRUKAKQSAKXAH-VIFPVBQESA-N -1 3 396.515 3.492 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCNC(=O)c1cccs1 ZINC000536899214 566410213 /nfs/dbraw/zinc/41/02/13/566410213.db2.gz CGMSMIMUFKMUGV-UHFFFAOYSA-N -1 3 398.893 3.164 20 0 GGADHM CC(C)(C)c1n[n-]c(S(=O)(=O)CCCc2ccccc2Br)n1 ZINC000447501004 566411878 /nfs/dbraw/zinc/41/18/78/566411878.db2.gz NGLRMHVFITYLQG-UHFFFAOYSA-N -1 3 386.315 3.271 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)CCCc2ccccc2Br)[n-]1 ZINC000447501004 566411885 /nfs/dbraw/zinc/41/18/85/566411885.db2.gz NGLRMHVFITYLQG-UHFFFAOYSA-N -1 3 386.315 3.271 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(OC)cc1Br ZINC000421831296 566412080 /nfs/dbraw/zinc/41/20/80/566412080.db2.gz DAERUQMTEWLGDK-UHFFFAOYSA-N -1 3 399.266 3.341 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000510769868 566412093 /nfs/dbraw/zinc/41/20/93/566412093.db2.gz MWEVJSGGUACOKV-AWEZNQCLSA-N -1 3 398.937 3.352 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000447504556 566412709 /nfs/dbraw/zinc/41/27/09/566412709.db2.gz PLJCUSPSLKQZBA-UHFFFAOYSA-N -1 3 380.857 3.385 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1F ZINC000510820645 566415084 /nfs/dbraw/zinc/41/50/84/566415084.db2.gz KVPVVKKRKAMUDR-CQSZACIVSA-N -1 3 380.466 3.164 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000510817694 566415394 /nfs/dbraw/zinc/41/53/94/566415394.db2.gz YMMASUDOIMRVGY-IAQYHMDHSA-N -1 3 383.539 3.322 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000510817697 566415763 /nfs/dbraw/zinc/41/57/63/566415763.db2.gz YMMASUDOIMRVGY-XHDPSFHLSA-N -1 3 383.539 3.322 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC000536993806 566415924 /nfs/dbraw/zinc/41/59/24/566415924.db2.gz LEYJNZUNSNFWSN-UHFFFAOYSA-N -1 3 397.808 3.276 20 0 GGADHM CC(C)N(CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)C ZINC000557790190 566418480 /nfs/dbraw/zinc/41/84/80/566418480.db2.gz ALZFPPOPQXHKTA-UHFFFAOYSA-N -1 3 386.411 3.121 20 0 GGADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1cn(C2CC2)nn1 ZINC000601702509 566419268 /nfs/dbraw/zinc/41/92/68/566419268.db2.gz ZRPYUUXJOZUNKD-UHFFFAOYSA-N -1 3 380.857 3.174 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1nc(C)ccc1[O-])c1ccc(Br)cc1 ZINC000447636232 566419738 /nfs/dbraw/zinc/41/97/38/566419738.db2.gz JSBBFYGXJWWSNI-CQSZACIVSA-N -1 3 392.253 3.064 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)s1 ZINC000463610471 566421102 /nfs/dbraw/zinc/42/11/02/566421102.db2.gz IRFSEAOQWQVDQP-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000463610471 566421103 /nfs/dbraw/zinc/42/11/03/566421103.db2.gz IRFSEAOQWQVDQP-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCOCC1 ZINC000557817679 566421571 /nfs/dbraw/zinc/42/15/71/566421571.db2.gz KFCITLHPLIBTAK-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCC1)c1c(F)cccc1OC(F)(F)F ZINC000557815787 566421639 /nfs/dbraw/zinc/42/16/39/566421639.db2.gz YFNCAPVIRCLMAU-UHFFFAOYSA-N -1 3 385.379 3.352 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Br)c1ccc(C)o1 ZINC000557817459 566422111 /nfs/dbraw/zinc/42/21/11/566422111.db2.gz CZZATQUDNCFGSS-CQSZACIVSA-N -1 3 388.283 3.158 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000577293752 566422505 /nfs/dbraw/zinc/42/25/05/566422505.db2.gz NTDUAOJTXAZZRN-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CC1(C)CCc2sc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)nc21 ZINC000421979844 566422676 /nfs/dbraw/zinc/42/26/76/566422676.db2.gz WMCMEMXISCUONT-UHFFFAOYSA-N -1 3 383.470 3.130 20 0 GGADHM CCc1nc(C)c(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)o1 ZINC000577313137 566422806 /nfs/dbraw/zinc/42/28/06/566422806.db2.gz MGOFROKRNGUBCE-UHFFFAOYSA-N -1 3 390.237 3.079 20 0 GGADHM COc1ccccc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000510947450 566423386 /nfs/dbraw/zinc/42/33/86/566423386.db2.gz HGMHFGPOGSPVMO-GFCCVEGCSA-N -1 3 386.876 3.117 20 0 GGADHM CN(Cc1ccc(Br)o1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484284633 566423562 /nfs/dbraw/zinc/42/35/62/566423562.db2.gz GQMGCUBORODFCH-UHFFFAOYSA-N -1 3 397.175 3.434 20 0 GGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557823990 566423856 /nfs/dbraw/zinc/42/38/56/566423856.db2.gz MUYIVYXUTSXDQL-UHFFFAOYSA-N -1 3 387.395 3.334 20 0 GGADHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000510986805 566426345 /nfs/dbraw/zinc/42/63/45/566426345.db2.gz UEAHXYRFEOKVQK-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccc(Cl)c1 ZINC000577357315 566427453 /nfs/dbraw/zinc/42/74/53/566427453.db2.gz KLUJHBRRWXQQSY-CYBMUJFWSA-N -1 3 391.251 3.028 20 0 GGADHM COc1cc(NC(=O)CC[S@@](=O)c2ccc([O-])cc2)c(OC)cc1Cl ZINC000463695435 566427841 /nfs/dbraw/zinc/42/78/41/566427841.db2.gz FMQBHHZPIYBKSN-RUZDIDTESA-N -1 3 383.853 3.199 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000537181507 566427982 /nfs/dbraw/zinc/42/79/82/566427982.db2.gz BMIMRVYYXYBHIF-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000557848641 566428105 /nfs/dbraw/zinc/42/81/05/566428105.db2.gz GAARACBQECZYCS-UHFFFAOYSA-N -1 3 382.295 3.319 20 0 GGADHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000511015146 566428286 /nfs/dbraw/zinc/42/82/86/566428286.db2.gz OPYBKTNROBMQBX-NSHDSACASA-N -1 3 395.750 3.255 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1c(F)cncc1F ZINC000511023800 566428518 /nfs/dbraw/zinc/42/85/18/566428518.db2.gz AJZUFAYJJOMTFU-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1c(F)cncc1F ZINC000511033562 566429333 /nfs/dbraw/zinc/42/93/33/566429333.db2.gz QDOXPHOEFJWZDL-ZCFIWIBFSA-N -1 3 383.239 3.223 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1c(F)cncc1F ZINC000511030772 566429513 /nfs/dbraw/zinc/42/95/13/566429513.db2.gz MWMAVUDZQNNGNZ-SSDOTTSWSA-N -1 3 382.310 3.140 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1c(F)cncc1F ZINC000511034255 566429865 /nfs/dbraw/zinc/42/98/65/566429865.db2.gz RCLOAHZKMNDIEY-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000650161288 566429794 /nfs/dbraw/zinc/42/97/94/566429794.db2.gz PIZYCTVIIVDIEP-NSHDSACASA-N -1 3 381.391 3.472 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1c(F)cncc1F ZINC000511032292 566430008 /nfs/dbraw/zinc/43/00/08/566430008.db2.gz SFYJHITYSBJYAA-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM Cc1sc2ncc(C(=O)Nc3ccc(Br)cc3[O-])c(=O)n2c1C ZINC000537194886 566430185 /nfs/dbraw/zinc/43/01/85/566430185.db2.gz NGTOLCBGPVAXMY-UHFFFAOYSA-N -1 3 394.250 3.093 20 0 GGADHM Cc1nn(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c1C(F)F ZINC000577390445 566430983 /nfs/dbraw/zinc/43/09/83/566430983.db2.gz PNLKTYPPEAHTPB-DTWKUNHWSA-N -1 3 375.363 3.066 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1c(F)cncc1F ZINC000511044149 566431041 /nfs/dbraw/zinc/43/10/41/566431041.db2.gz OHTKOXLMVFSTQS-QMMMGPOBSA-N -1 3 382.310 3.298 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F ZINC000511042581 566431388 /nfs/dbraw/zinc/43/13/88/566431388.db2.gz BKIDXQVUHBNDEU-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000577397356 566431832 /nfs/dbraw/zinc/43/18/32/566431832.db2.gz LDJRJJDVIOBNKY-UHFFFAOYSA-N -1 3 393.818 3.370 20 0 GGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC000511060151 566432342 /nfs/dbraw/zinc/43/23/42/566432342.db2.gz QJTCTOLSIAMREP-UHFFFAOYSA-N -1 3 383.451 3.062 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)C(C)C)s1 ZINC000511055675 566432397 /nfs/dbraw/zinc/43/23/97/566432397.db2.gz CDOVZRPGINUNMH-INIZCTEOSA-N -1 3 383.491 3.219 20 0 GGADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(Br)c(F)cc1Cl ZINC000671660419 566434966 /nfs/dbraw/zinc/43/49/66/566434966.db2.gz QBKDZSMQCGHIRY-UHFFFAOYSA-N -1 3 382.642 3.084 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@H]2CCO[C@@H]21 ZINC000671676901 566436614 /nfs/dbraw/zinc/43/66/14/566436614.db2.gz KILJPPNBMSVKAM-WQAKAFBOSA-N -1 3 383.819 3.451 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1ccc(Cl)c(Cl)c1 ZINC000447849634 566437418 /nfs/dbraw/zinc/43/74/18/566437418.db2.gz IVYSBGFMNITCMK-UHFFFAOYSA-N -1 3 383.203 3.468 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000671674974 566437589 /nfs/dbraw/zinc/43/75/89/566437589.db2.gz MKQHUQDOFZDMPG-LBPRGKRZSA-N -1 3 382.835 3.121 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)s1 ZINC000671684986 566438285 /nfs/dbraw/zinc/43/82/85/566438285.db2.gz BZGGYZJBLHHETA-NXEZZACHSA-N -1 3 387.914 3.033 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)s1 ZINC000671684987 566438385 /nfs/dbraw/zinc/43/83/85/566438385.db2.gz BZGGYZJBLHHETA-ZJUUUORDSA-N -1 3 387.914 3.033 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)s1 ZINC000463864605 566438822 /nfs/dbraw/zinc/43/88/22/566438822.db2.gz IYWHJTZAYWAZSE-UHFFFAOYSA-N -1 3 376.507 3.105 20 0 GGADHM CCC(C)(C)N(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000671692767 566439900 /nfs/dbraw/zinc/43/99/00/566439900.db2.gz LKROJFIQRUENHP-UHFFFAOYSA-N -1 3 396.340 3.102 20 0 GGADHM O=S(=O)([N-]CCOCc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000537355609 566440237 /nfs/dbraw/zinc/44/02/37/566440237.db2.gz BKLSHMSXHSVWKK-UHFFFAOYSA-N -1 3 379.240 3.023 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000484619354 566440380 /nfs/dbraw/zinc/44/03/80/566440380.db2.gz RLTFTIWHNBXOOT-UHFFFAOYSA-N -1 3 378.947 3.060 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000484630134 566442012 /nfs/dbraw/zinc/44/20/12/566442012.db2.gz NTKDPPSWHVKZNW-HSZRJFAPSA-N -1 3 387.910 3.166 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 ZINC000447875687 566443416 /nfs/dbraw/zinc/44/34/16/566443416.db2.gz TWPLGKXPOXXOME-MRVPVSSYSA-N -1 3 380.367 3.126 20 0 GGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 ZINC000447875688 566443435 /nfs/dbraw/zinc/44/34/35/566443435.db2.gz TWPLGKXPOXXOME-QMMMGPOBSA-N -1 3 380.367 3.126 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1c(C)noc1C ZINC000447875549 566443512 /nfs/dbraw/zinc/44/35/12/566443512.db2.gz RZLCPKDCGGTNSX-LBPRGKRZSA-N -1 3 378.372 3.462 20 0 GGADHM O=S(=O)([N-]CCNc1cncc(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000537409319 566443657 /nfs/dbraw/zinc/44/36/57/566443657.db2.gz JQWJPEAPJZAVED-UHFFFAOYSA-N -1 3 394.909 3.249 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1c(C)noc1C ZINC000447875548 566443762 /nfs/dbraw/zinc/44/37/62/566443762.db2.gz RZLCPKDCGGTNSX-GFCCVEGCSA-N -1 3 378.372 3.462 20 0 GGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1c(F)ccc(C)c1Br ZINC000484685471 566446464 /nfs/dbraw/zinc/44/64/64/566446464.db2.gz HGTZWMYSAPXSET-UHFFFAOYSA-N -1 3 394.200 3.297 20 0 GGADHM Cc1cc(C)n2nc(C(=O)[N-]c3c(F)ccc(C)c3Br)nc2n1 ZINC000484703482 566447667 /nfs/dbraw/zinc/44/76/67/566447667.db2.gz PJBSJKCZAOZPDU-UHFFFAOYSA-N -1 3 378.205 3.203 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1 ZINC000558066289 566447850 /nfs/dbraw/zinc/44/78/50/566447850.db2.gz USPZUGGKMVNNSL-INIZCTEOSA-N -1 3 399.299 3.218 20 0 GGADHM C[C@H](Oc1ccccc1F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511264556 566449398 /nfs/dbraw/zinc/44/93/98/566449398.db2.gz FGNAFYRGFNHXQY-JTQLQIEISA-N -1 3 378.201 3.064 20 0 GGADHM CCc1c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cnn1C(C)(C)C ZINC000511270277 566449567 /nfs/dbraw/zinc/44/95/67/566449567.db2.gz YXFLFJLQCYDFOI-UHFFFAOYSA-N -1 3 390.285 3.285 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000558116400 566450499 /nfs/dbraw/zinc/45/04/99/566450499.db2.gz FZRCSZODRPVTLM-HNNXBMFYSA-N -1 3 377.897 3.388 20 0 GGADHM CCCN1CCN(c2ccccc2CN=c2[n-]nc(SCC)s2)CC1 ZINC000447947073 566450436 /nfs/dbraw/zinc/45/04/36/566450436.db2.gz AIDXBPOOMIRQFN-UHFFFAOYSA-N -1 3 377.583 3.216 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447946560 566450939 /nfs/dbraw/zinc/45/09/39/566450939.db2.gz WCGYZSCBKCCMRK-ZIAGYGMSSA-N -1 3 380.491 3.093 20 0 GGADHM Cc1cc2c(cc1C)[C@H](C(=O)N=c1cc3ccc(Br)cn3[n-]1)CO2 ZINC000511283831 566450953 /nfs/dbraw/zinc/45/09/53/566450953.db2.gz HEJNKNYLPYELJH-OAHLLOKOSA-N -1 3 386.249 3.250 20 0 GGADHM O=C(COc1cccc2cccnc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511279077 566451142 /nfs/dbraw/zinc/45/11/42/566451142.db2.gz TUZHBZJCULNVMW-UHFFFAOYSA-N -1 3 397.232 3.084 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)s1 ZINC000484759196 566451168 /nfs/dbraw/zinc/45/11/68/566451168.db2.gz VRTMUPIDTKXVQL-LLVKDONJSA-N -1 3 399.515 3.059 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)c1ccccc1 ZINC000484756634 566451266 /nfs/dbraw/zinc/45/12/66/566451266.db2.gz RBPARCGXRPFIFE-LBPRGKRZSA-N -1 3 383.491 3.015 20 0 GGADHM Cc1c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)oc2c1C(=O)CCC2 ZINC000511280391 566451370 /nfs/dbraw/zinc/45/13/70/566451370.db2.gz HUFQAUYGNAFOCU-UHFFFAOYSA-N -1 3 388.221 3.191 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000537565111 566451473 /nfs/dbraw/zinc/45/14/73/566451473.db2.gz XAMHGZIROSDFPB-LLVKDONJSA-N -1 3 389.905 3.110 20 0 GGADHM C[C@H]1[C@@H](C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCN1c1ccccc1 ZINC000511302341 566452776 /nfs/dbraw/zinc/45/27/76/566452776.db2.gz CYTAOGGADRGARR-GUYCJALGSA-N -1 3 399.292 3.372 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]Cc2csc3ccccc23)s1 ZINC000484777371 566452803 /nfs/dbraw/zinc/45/28/03/566452803.db2.gz OQXUQRRZUWIEES-UHFFFAOYSA-N -1 3 397.499 3.237 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)s1 ZINC000484778059 566452891 /nfs/dbraw/zinc/45/28/91/566452891.db2.gz DDJDPEQMWHMGGQ-VXGBXAGGSA-N -1 3 383.491 3.014 20 0 GGADHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000484777885 566452955 /nfs/dbraw/zinc/45/29/55/566452955.db2.gz AHMGWOWDDTYUPE-NEPJUHHUSA-N -1 3 375.512 3.181 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(SC)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000464188072 566453550 /nfs/dbraw/zinc/45/35/50/566453550.db2.gz DMPABSXWDFOBRZ-MWLCHTKSSA-N -1 3 377.837 3.042 20 0 GGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000558140938 566453836 /nfs/dbraw/zinc/45/38/36/566453836.db2.gz PMCLMINLSRFDSR-CQSZACIVSA-N -1 3 380.432 3.034 20 0 GGADHM O=S(=O)([N-]Cc1cnn2ccccc12)c1cc(C(F)(F)F)ccc1Cl ZINC000511318751 566453758 /nfs/dbraw/zinc/45/37/58/566453758.db2.gz FIWFKFIXWUTDQA-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cnn4ccccc34)s2)cs1 ZINC000511324320 566454275 /nfs/dbraw/zinc/45/42/75/566454275.db2.gz OOPZMNLGKKEOMR-UHFFFAOYSA-N -1 3 390.515 3.306 20 0 GGADHM O=C(NCCc1ccc(Br)s1)c1c[n-]nc1-c1ccccn1 ZINC000577665583 566454594 /nfs/dbraw/zinc/45/45/94/566454594.db2.gz YONVMBOFNWIHSE-UHFFFAOYSA-N -1 3 377.267 3.268 20 0 GGADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000464197765 566454805 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Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1sccc1OC(F)F ZINC000484891393 566462184 /nfs/dbraw/zinc/46/21/84/566462184.db2.gz CCHXHZILNYVGJC-UHFFFAOYSA-N -1 3 384.795 3.473 20 0 GGADHM COc1cc(Cl)ccc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484888987 566462456 /nfs/dbraw/zinc/46/24/56/566462456.db2.gz BFUGMEJMHRSBQN-UHFFFAOYSA-N -1 3 377.231 3.472 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(CSC)cc1 ZINC000511409401 566462803 /nfs/dbraw/zinc/46/28/03/566462803.db2.gz CGBLXXFNWUTAKW-UHFFFAOYSA-N -1 3 399.921 3.468 20 0 GGADHM O=C(N[C@H]1CCC[C@H]1F)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000577772698 566462700 /nfs/dbraw/zinc/46/27/00/566462700.db2.gz HJZFAPWQTXSMMO-KGLIPLIRSA-N -1 3 388.530 3.370 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NS(=O)(=O)c1ccccc1Cl ZINC000577806648 566466221 /nfs/dbraw/zinc/46/62/21/566466221.db2.gz ZEBDQTPLEPHDFH-UHFFFAOYSA-N -1 3 383.260 3.012 20 0 GGADHM Cc1ccc2nc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)sc2c1 ZINC000511474425 566466482 /nfs/dbraw/zinc/46/64/82/566466482.db2.gz 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ZINC000537795857 566472078 /nfs/dbraw/zinc/47/20/78/566472078.db2.gz SYEFFIBQZGSGDO-UHFFFAOYSA-N -1 3 386.583 3.166 20 0 GGADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000627313098 566476093 /nfs/dbraw/zinc/47/60/93/566476093.db2.gz USMOMKUBPUSJIE-UHFFFAOYSA-N -1 3 381.219 3.034 20 0 GGADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc2cc(Br)ccc2s1 ZINC000627312972 566476540 /nfs/dbraw/zinc/47/65/40/566476540.db2.gz PPMUZMBTULVDHZ-UHFFFAOYSA-N -1 3 380.267 3.050 20 0 GGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc2n(n1)CCCO2 ZINC000577930113 566477706 /nfs/dbraw/zinc/47/77/06/566477706.db2.gz BQVDXQHPVCSRBD-UHFFFAOYSA-N -1 3 379.492 3.123 20 0 GGADHM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(Br)c1 ZINC000537877009 566477646 /nfs/dbraw/zinc/47/76/46/566477646.db2.gz QABNCGVYYPJYKV-UHFFFAOYSA-N -1 3 383.267 3.278 20 0 GGADHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1csc2ccc(Cl)cc12 ZINC000537867525 566477667 /nfs/dbraw/zinc/47/76/67/566477667.db2.gz LQIMNFLUPMBSGO-UHFFFAOYSA-N -1 3 399.925 3.338 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCCCc1ccc(Br)cc1F ZINC000558478287 566478457 /nfs/dbraw/zinc/47/84/57/566478457.db2.gz BVMONZZYLSPWDH-UHFFFAOYSA-N -1 3 391.244 3.412 20 0 GGADHM CNS(=O)(=O)c1csc(C(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000672334195 566480865 /nfs/dbraw/zinc/48/08/65/566480865.db2.gz LHAFFXLOHMUMJG-UHFFFAOYSA-N -1 3 379.488 3.032 20 0 GGADHM C[C@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC=CCC1 ZINC000448598933 566482496 /nfs/dbraw/zinc/48/24/96/566482496.db2.gz WNQHGPBNWYXAGL-HNNXBMFYSA-N -1 3 376.400 3.212 20 0 GGADHM CCC[C@H]1CCC[C@@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000448622374 566483494 /nfs/dbraw/zinc/48/34/94/566483494.db2.gz PRZPOJZFPAPGIU-HOCLYGCPSA-N -1 3 384.567 3.234 20 0 GGADHM CC[C@@H](C)[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OC ZINC000578029332 566484219 /nfs/dbraw/zinc/48/42/19/566484219.db2.gz KWHTXTCUNMPWMM-QLJPJBMISA-N -1 3 381.270 3.082 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCCCC1CCCC1 ZINC000464544301 566484875 /nfs/dbraw/zinc/48/48/75/566484875.db2.gz BBOYPQYZCDRNHS-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000672386402 566485395 /nfs/dbraw/zinc/48/53/95/566485395.db2.gz SJOIYLUTQOVTHG-HNNXBMFYSA-N -1 3 381.523 3.181 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000538012722 566486307 /nfs/dbraw/zinc/48/63/07/566486307.db2.gz GQGVOLGODNWIPG-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)[C@@H]1CCCCO1 ZINC000672396533 566487440 /nfs/dbraw/zinc/48/74/40/566487440.db2.gz AXIYWKVPCBADDQ-RISCZKNCSA-N -1 3 399.310 3.233 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cncc(F)c1 ZINC000672400522 566487731 /nfs/dbraw/zinc/48/77/31/566487731.db2.gz XMKRALIXTLPKAY-QMMMGPOBSA-N -1 3 382.310 3.298 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)c(F)c1 ZINC000538017112 566487960 /nfs/dbraw/zinc/48/79/60/566487960.db2.gz WXAFIGKBYKCNSB-HNNXBMFYSA-N -1 3 379.787 3.423 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC2(CC2(F)F)CC1 ZINC000650974375 566488168 /nfs/dbraw/zinc/48/81/68/566488168.db2.gz NBTDHNXDWOFJTH-UHFFFAOYSA-N -1 3 375.213 3.486 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000672427721 566488494 /nfs/dbraw/zinc/48/84/94/566488494.db2.gz VJBYUQKEJVFXJY-NSHDSACASA-N -1 3 394.356 3.269 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)c1ccc(Cl)cc1 ZINC000672428128 566488811 /nfs/dbraw/zinc/48/88/11/566488811.db2.gz HJEFLCVKDNZGDV-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)c[nH]1 ZINC000672424247 566489157 /nfs/dbraw/zinc/48/91/57/566489157.db2.gz RXUYZYPGSLUDNL-UHFFFAOYSA-N -1 3 383.342 3.309 20 0 GGADHM O=C(NCCn1cnc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000485336425 566489613 /nfs/dbraw/zinc/48/96/13/566489613.db2.gz SCNIEABZUFIGLW-UHFFFAOYSA-N -1 3 389.253 3.004 20 0 GGADHM O=C(NC[C@@H]1Cc2ccccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602750914 566491204 /nfs/dbraw/zinc/49/12/04/566491204.db2.gz 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ZINC000538284728 566503297 /nfs/dbraw/zinc/50/32/97/566503297.db2.gz CWAXZRCABRJEPP-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC12CC2)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000578225703 566503419 /nfs/dbraw/zinc/50/34/19/566503419.db2.gz PDAFNMNVEWIPTG-HIFRSBDPSA-N -1 3 385.913 3.366 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000448844253 566503647 /nfs/dbraw/zinc/50/36/47/566503647.db2.gz MPDDHIIIBARQDP-QGZVFWFLSA-N -1 3 394.240 3.436 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1ccncc1[O-] ZINC000512000168 566504494 /nfs/dbraw/zinc/50/44/94/566504494.db2.gz INCYCSFDKSMVPD-UHFFFAOYSA-N -1 3 388.221 3.198 20 0 GGADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000424059412 566506226 /nfs/dbraw/zinc/50/62/26/566506226.db2.gz BLWFGISVMPGLAV-UHFFFAOYSA-N -1 3 377.491 3.231 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(C)c1Cl)c1ccccc1 ZINC000538318644 566506362 /nfs/dbraw/zinc/50/63/62/566506362.db2.gz ZNIIYUCBGFLWLI-GUYCJALGSA-N -1 3 381.881 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COc1cc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)ccc1Br ZINC000672889857 566513751 /nfs/dbraw/zinc/51/37/51/566513751.db2.gz ZCTNGSBUDKRIIJ-UHFFFAOYSA-N -1 3 390.221 3.467 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)ccc1I ZINC000512157412 566516950 /nfs/dbraw/zinc/51/69/50/566516950.db2.gz CUHUBICPPBYIPX-UHFFFAOYSA-N -1 3 399.135 3.472 20 0 GGADHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)NCc1cccs1 ZINC000627919113 566518213 /nfs/dbraw/zinc/51/82/13/566518213.db2.gz ATDQLZSXRAVKDE-CQSZACIVSA-N -1 3 397.294 3.041 20 0 GGADHM C[C@@H](SCCc1nnn[n-]1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000603336585 566519519 /nfs/dbraw/zinc/51/95/19/566519519.db2.gz HFKMRDOGUWXSTG-ZCFIWIBFSA-N -1 3 380.688 3.463 20 0 GGADHM C[C@@H](SCCc1nn[n-]n1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000603336585 566519523 /nfs/dbraw/zinc/51/95/23/566519523.db2.gz HFKMRDOGUWXSTG-ZCFIWIBFSA-N -1 3 380.688 3.463 20 0 GGADHM O=S(=O)([N-][C@H]1CCCOc2cc(F)ccc21)c1cc(F)c(F)c(F)c1 ZINC000538541101 566519574 /nfs/dbraw/zinc/51/95/74/566519574.db2.gz 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ZINC000449008285 566520489 /nfs/dbraw/zinc/52/04/89/566520489.db2.gz ISTLTSPETWYDTJ-UHFFFAOYSA-N -1 3 380.535 3.008 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449012892 566520794 /nfs/dbraw/zinc/52/07/94/566520794.db2.gz IHYOOOVRXUSLFS-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000578421594 566520903 /nfs/dbraw/zinc/52/09/03/566520903.db2.gz KTRJRWBJLYGYMJ-HNNXBMFYSA-N -1 3 376.544 3.038 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(F)cc(Cl)c1)c1ccc(Cl)s1 ZINC000485723012 566521683 /nfs/dbraw/zinc/52/16/83/566521683.db2.gz ZTZCFIPRRUHHRG-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM CN(C)c1nc2ccc(NC(=O)c3ccc(Br)c([O-])c3)cc2[nH]1 ZINC000559050810 566522612 /nfs/dbraw/zinc/52/26/12/566522612.db2.gz OSOLLOXLWQDNDA-UHFFFAOYSA-N -1 3 375.226 3.349 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)OCCc2sccc21 ZINC000578472457 566525443 /nfs/dbraw/zinc/52/54/43/566525443.db2.gz XMISBFKLINHNFK-HNNXBMFYSA-N -1 3 375.874 3.307 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C(C)(C)CO)s1 ZINC000559105730 566526039 /nfs/dbraw/zinc/52/60/39/566526039.db2.gz IYEWSINFEJOYMM-MRXNPFEDSA-N -1 3 382.551 3.479 20 0 GGADHM COC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000559106440 566526283 /nfs/dbraw/zinc/52/62/83/566526283.db2.gz YQVACENBNSEYFB-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM O=C(CCc1ccccn1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512312832 566526278 /nfs/dbraw/zinc/52/62/78/566526278.db2.gz AZYZZFHEZGAJKE-UHFFFAOYSA-N -1 3 389.228 3.367 20 0 GGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000538668347 566526606 /nfs/dbraw/zinc/52/66/06/566526606.db2.gz QVIHXGWWQPLGMC-QMTHXVAHSA-N -1 3 379.309 3.064 20 0 GGADHM O=C(NCc1cccnc1N1CCCC1)c1cc([O-])cc(Br)c1 ZINC000628049838 566527029 /nfs/dbraw/zinc/52/70/29/566527029.db2.gz GVUCAXMBFMFHRD-UHFFFAOYSA-N -1 3 376.254 3.080 20 0 GGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465299301 566527175 /nfs/dbraw/zinc/52/71/75/566527175.db2.gz UDOAEHXPTSINFM-VXGBXAGGSA-N -1 3 393.336 3.309 20 0 GGADHM O=C(CCc1nccs1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512348232 566527737 /nfs/dbraw/zinc/52/77/37/566527737.db2.gz NYORAMYSGCHSLQ-UHFFFAOYSA-N -1 3 395.257 3.428 20 0 GGADHM O=C(CCCn1cccn1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512348940 566528125 /nfs/dbraw/zinc/52/81/25/566528125.db2.gz RNKMCGRDHCFMKA-UHFFFAOYSA-N -1 3 392.232 3.016 20 0 GGADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)n1 ZINC000651547629 566531870 /nfs/dbraw/zinc/53/18/70/566531870.db2.gz QJGZFLZCZPEGTK-JTQLQIEISA-N -1 3 386.518 3.423 20 0 GGADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)n1 ZINC000651547630 566532065 /nfs/dbraw/zinc/53/20/65/566532065.db2.gz QJGZFLZCZPEGTK-SNVBAGLBSA-N -1 3 386.518 3.423 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000512405826 566532228 /nfs/dbraw/zinc/53/22/28/566532228.db2.gz NJHNXUXTRDOCPW-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)cc1F ZINC000538748652 566533082 /nfs/dbraw/zinc/53/30/82/566533082.db2.gz XCIUZBQSOQHLBZ-LBPRGKRZSA-N -1 3 394.534 3.033 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)ccc1Cl ZINC000578559783 566533789 /nfs/dbraw/zinc/53/37/89/566533789.db2.gz XEYWSPUHYGRLFM-RHSMWYFYSA-N -1 3 386.300 3.438 20 0 GGADHM C[C@H](CF)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000673390196 566534564 /nfs/dbraw/zinc/53/45/64/566534564.db2.gz HDLVNEYFDPEWRF-SNVBAGLBSA-N -1 3 388.823 3.368 20 0 GGADHM CCC[C@H](CC(C)C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000449195906 566534852 /nfs/dbraw/zinc/53/48/52/566534852.db2.gz WWLHPIOBTWMMGM-OAHLLOKOSA-N -1 3 386.583 3.480 20 0 GGADHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(Br)c1[O-] ZINC000538766560 566534840 /nfs/dbraw/zinc/53/48/40/566534840.db2.gz WMABKWQVMHALOT-UHFFFAOYSA-N -1 3 393.281 3.064 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000512441828 566534922 /nfs/dbraw/zinc/53/49/22/566534922.db2.gz SKCZMVSVTCYGEY-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2C)no1 ZINC000485872737 566536134 /nfs/dbraw/zinc/53/61/34/566536134.db2.gz SPWKMIGCVRXJQO-UHFFFAOYSA-N -1 3 388.287 3.027 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCCn1ccnc1C ZINC000651577023 566536983 /nfs/dbraw/zinc/53/69/83/566536983.db2.gz ZTCPSWYOEBZZMS-UHFFFAOYSA-N -1 3 392.344 3.083 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000485899246 566537238 /nfs/dbraw/zinc/53/72/38/566537238.db2.gz NALNOCOWTOUVEQ-GFCCVEGCSA-N -1 3 381.475 3.144 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000651578673 566537190 /nfs/dbraw/zinc/53/71/90/566537190.db2.gz ZHRQPZWOVWZNKE-YUSALJHKSA-N -1 3 394.356 3.301 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000651578670 566537525 /nfs/dbraw/zinc/53/75/25/566537525.db2.gz ZHRQPZWOVWZNKE-JLLWLGSASA-N -1 3 394.356 3.301 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1C2CCC1CC2 ZINC000578619024 566538276 /nfs/dbraw/zinc/53/82/76/566538276.db2.gz FOEUFZGINDYRFC-UHFFFAOYSA-N -1 3 382.532 3.055 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)sc1C ZINC000651585445 566538509 /nfs/dbraw/zinc/53/85/09/566538509.db2.gz SUIBPSRNZJFSDS-UHFFFAOYSA-N -1 3 386.518 3.170 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](CO)c1ccccc1C ZINC000651588468 566538739 /nfs/dbraw/zinc/53/87/39/566538739.db2.gz RMCRKYIVWFWEPB-GFCCVEGCSA-N -1 3 390.324 3.139 20 0 GGADHM C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506543 566538791 /nfs/dbraw/zinc/53/87/91/566538791.db2.gz ULTKBDPWSHIZHR-UWVGGRQHSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000673504918 566538926 /nfs/dbraw/zinc/53/89/26/566538926.db2.gz UBXPCSNYKKXCOL-ZJUUUORDSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](NC(=O)c1sccc1Br)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502812 566539035 /nfs/dbraw/zinc/53/90/35/566539035.db2.gz GEWSCVDILMZQKM-DTWKUNHWSA-N -1 3 398.282 3.004 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)CC1(COC)CCC1)c1nc(C(F)(F)F)cs1 ZINC000651585973 566539041 /nfs/dbraw/zinc/53/90/41/566539041.db2.gz KYAYRQDISIIPKN-JTQLQIEISA-N -1 3 386.461 3.349 20 0 GGADHM C[C@H](NC(=O)c1sccc1Br)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502813 566539142 /nfs/dbraw/zinc/53/91/42/566539142.db2.gz GEWSCVDILMZQKM-IUCAKERBSA-N -1 3 398.282 3.004 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC000673508113 566539352 /nfs/dbraw/zinc/53/93/52/566539352.db2.gz OPKHNUOWLINDJR-ZJUUUORDSA-N -1 3 382.247 3.487 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](C)c1ccncc1 ZINC000651592187 566539424 /nfs/dbraw/zinc/53/94/24/566539424.db2.gz OSKTXNQQSHLCST-SNVBAGLBSA-N -1 3 375.313 3.296 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506542 566539600 /nfs/dbraw/zinc/53/96/00/566539600.db2.gz ULTKBDPWSHIZHR-NXEZZACHSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1sccc1Br ZINC000673502811 566539655 /nfs/dbraw/zinc/53/96/55/566539655.db2.gz GEWSCVDILMZQKM-BDAKNGLRSA-N -1 3 398.282 3.004 20 0 GGADHM Cc1sccc1CNCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000559303122 566541340 /nfs/dbraw/zinc/54/13/40/566541340.db2.gz JBMNKHNZTLRYOB-UHFFFAOYSA-N -1 3 379.334 3.431 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000651614335 566541678 /nfs/dbraw/zinc/54/16/78/566541678.db2.gz HBWXKVVCLNCLRY-YUSALJHKSA-N -1 3 392.340 3.055 20 0 GGADHM O=C(Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1nc[n-]n1 ZINC000512534838 566541829 /nfs/dbraw/zinc/54/18/29/566541829.db2.gz WHCHGVWZEJXIJQ-UHFFFAOYSA-N -1 3 377.191 3.011 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000673570159 566543599 /nfs/dbraw/zinc/54/35/99/566543599.db2.gz NGPANHAXOWBVHN-JTQLQIEISA-N -1 3 396.843 3.163 20 0 GGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1ccc(C(F)(F)F)cc1F ZINC000673576635 566543686 /nfs/dbraw/zinc/54/36/86/566543686.db2.gz DYFZGPUMDCVSED-UHFFFAOYSA-N -1 3 378.347 3.190 20 0 GGADHM O=C([N-]c1cc(Cl)ccn1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000603864204 566543790 /nfs/dbraw/zinc/54/37/90/566543790.db2.gz TZAJGCPJLOULDM-UHFFFAOYSA-N -1 3 385.898 3.223 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000673586387 566544951 /nfs/dbraw/zinc/54/49/51/566544951.db2.gz YJPMHTTWOPOTID-UHFFFAOYSA-N -1 3 397.285 3.371 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1([C@H](C)CCO)CCC1 ZINC000651629632 566544921 /nfs/dbraw/zinc/54/49/21/566544921.db2.gz AQWQGXJDZIPGCO-LLVKDONJSA-N -1 3 396.372 3.286 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000673586494 566545031 /nfs/dbraw/zinc/54/50/31/566545031.db2.gz HSWMTEQATXIUJD-UHFFFAOYSA-N -1 3 384.242 3.314 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000651646631 566546418 /nfs/dbraw/zinc/54/64/18/566546418.db2.gz LGCWMRHPSIGEGG-GXTWGEPZSA-N -1 3 394.356 3.303 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000651646634 566546778 /nfs/dbraw/zinc/54/67/78/566546778.db2.gz LGCWMRHPSIGEGG-TZMCWYRMSA-N -1 3 394.356 3.303 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000651644351 566547064 /nfs/dbraw/zinc/54/70/64/566547064.db2.gz OJSOKDIQDBKDNV-QWRGUYRKSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@H]1CCO[C@@H](C)C1 ZINC000651638880 566547134 /nfs/dbraw/zinc/54/71/34/566547134.db2.gz NWDVRHMPRYGYMP-QWRGUYRKSA-N -1 3 382.345 3.303 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)s1 ZINC000603957476 566547215 /nfs/dbraw/zinc/54/72/15/566547215.db2.gz MAXRNJARJVCJGI-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000651644352 566547169 /nfs/dbraw/zinc/54/71/69/566547169.db2.gz OJSOKDIQDBKDNV-WDEREUQCSA-N -1 3 380.329 3.055 20 0 GGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ncc(Br)cc1Br ZINC000424613007 566547192 /nfs/dbraw/zinc/54/71/92/566547192.db2.gz BAGUAVIHRXEQPM-QPUJVOFHSA-N -1 3 394.107 3.442 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000485994512 566547685 /nfs/dbraw/zinc/54/76/85/566547685.db2.gz QEQXIBHOGAYYHS-AWEZNQCLSA-N -1 3 377.315 3.136 20 0 GGADHM CCC[C@@H](C)S(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000651646982 566548081 /nfs/dbraw/zinc/54/80/81/566548081.db2.gz YTUMPIYHPLZISH-MFKMUULPSA-N -1 3 376.404 3.021 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)no1 ZINC000651651530 566549018 /nfs/dbraw/zinc/54/90/18/566549018.db2.gz AIPGCTOBXJGKKF-UHFFFAOYSA-N -1 3 376.837 3.261 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1Cl ZINC000559433373 566549326 /nfs/dbraw/zinc/54/93/26/566549326.db2.gz YQAUDGILYFXJAE-UHFFFAOYSA-N -1 3 383.853 3.235 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1F ZINC000604059006 566551785 /nfs/dbraw/zinc/55/17/85/566551785.db2.gz ZSPKMKRCCAUFBG-HNNXBMFYSA-N -1 3 382.888 3.422 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000604058785 566552457 /nfs/dbraw/zinc/55/24/57/566552457.db2.gz RCFYVRXOGBLTIO-MRXNPFEDSA-N -1 3 382.888 3.422 20 0 GGADHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(F)ccc3Cl)c2c1 ZINC000673696981 566552450 /nfs/dbraw/zinc/55/24/50/566552450.db2.gz KDNOVGSDBPBELZ-UHFFFAOYSA-N -1 3 382.844 3.490 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1F ZINC000604059007 566552482 /nfs/dbraw/zinc/55/24/82/566552482.db2.gz ZSPKMKRCCAUFBG-OAHLLOKOSA-N -1 3 382.888 3.422 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1Cl ZINC000604059744 566552796 /nfs/dbraw/zinc/55/27/96/566552796.db2.gz GMPOQUPYFAXFDQ-VXGBXAGGSA-N -1 3 393.336 3.227 20 0 GGADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cccc2c1OCCCO2 ZINC000651700760 566552997 /nfs/dbraw/zinc/55/29/97/566552997.db2.gz SFHOSRRARKSSOE-UHFFFAOYSA-N -1 3 383.466 3.187 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000651708396 566554664 /nfs/dbraw/zinc/55/46/64/566554664.db2.gz PQUGWLQAWWDHPE-JTQLQIEISA-N -1 3 388.308 3.274 20 0 GGADHM CC(C)[C@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000539033880 566554745 /nfs/dbraw/zinc/55/47/45/566554745.db2.gz AONPGRTYUMTPPS-SJKOYZFVSA-N -1 3 393.281 3.224 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)CCCC1 ZINC000578825304 566557137 /nfs/dbraw/zinc/55/71/37/566557137.db2.gz VDAVCNXALVZRLU-UHFFFAOYSA-N -1 3 379.400 3.489 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)c[nH]1 ZINC000673820681 566558439 /nfs/dbraw/zinc/55/84/39/566558439.db2.gz RNFTTYZSUGFJNS-UHFFFAOYSA-N -1 3 378.281 3.197 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000673822878 566558452 /nfs/dbraw/zinc/55/84/52/566558452.db2.gz QOGSGZJLOXCKSC-IRXDYDNUSA-N -1 3 396.306 3.466 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(Br)c2)c[nH]1 ZINC000673821023 566558469 /nfs/dbraw/zinc/55/84/69/566558469.db2.gz WZQLCABSJGBHKX-NSHDSACASA-N -1 3 386.315 3.205 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2)c[nH]1 ZINC000673822848 566558977 /nfs/dbraw/zinc/55/89/77/566558977.db2.gz PRUDXUOPDVJEAV-ZDUSSCGKSA-N -1 3 382.917 3.134 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCNc2ncc(C(F)(F)F)cc2Cl)o1 ZINC000539107573 566559575 /nfs/dbraw/zinc/55/95/75/566559575.db2.gz BOMSARNWODHKEK-UHFFFAOYSA-N -1 3 383.779 3.046 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)s1 ZINC000673824871 566560202 /nfs/dbraw/zinc/56/02/02/566560202.db2.gz GBXKGTAPHQTVFR-HZSPNIEDSA-N -1 3 380.535 3.416 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@H]1Cc1ccccc1Br ZINC000578882457 566562119 /nfs/dbraw/zinc/56/21/19/566562119.db2.gz JBEMDGVWAWKKFD-HNNXBMFYSA-N -1 3 375.266 3.326 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N1C[C@@H]2C[C@@H]2C1 ZINC000628498500 566562530 /nfs/dbraw/zinc/56/25/30/566562530.db2.gz PKEXVQVSQXRFFB-OKILXGFUSA-N -1 3 376.865 3.233 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@@H](C)CC)cc1Cl ZINC000466294371 566562902 /nfs/dbraw/zinc/56/29/02/566562902.db2.gz YELLOHFDXLPNHU-TVQRCGJNSA-N -1 3 397.324 3.295 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)sc1Cl ZINC000559635134 566564006 /nfs/dbraw/zinc/56/40/06/566564006.db2.gz LUVJSPLXQNBVBV-UHFFFAOYSA-N -1 3 375.884 3.300 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000604407307 566564320 /nfs/dbraw/zinc/56/43/20/566564320.db2.gz VCPWOBYFNGTRKY-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM CCc1ccc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000512857280 566564602 /nfs/dbraw/zinc/56/46/02/566564602.db2.gz QPHCYSLRKPEYNN-UHFFFAOYSA-N -1 3 388.320 3.019 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cccs1 ZINC000604408303 566565073 /nfs/dbraw/zinc/56/50/73/566565073.db2.gz JAJZNFDRGHNFDR-LBPRGKRZSA-N -1 3 376.425 3.324 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(F)cc(F)c1)c1cccc(Cl)c1Cl ZINC000512868317 566565010 /nfs/dbraw/zinc/56/50/10/566565010.db2.gz AQACBKSFQWRAPP-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000578926852 566565416 /nfs/dbraw/zinc/56/54/16/566565416.db2.gz KVAZUDQTVKPYBA-GHMZBOCLSA-N -1 3 379.309 3.061 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C)CCCC2)c(Br)c1 ZINC000604435953 566566319 /nfs/dbraw/zinc/56/63/19/566566319.db2.gz RHNVDHDGBPEIGW-UHFFFAOYSA-N -1 3 390.299 3.237 20 0 GGADHM Cc1nc(C)c(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000512873706 566566481 /nfs/dbraw/zinc/56/64/81/566566481.db2.gz DPBKRHYQPPSMAA-UHFFFAOYSA-N -1 3 394.349 3.135 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)c2cc(Br)cc(Br)c2)c1C ZINC000539213826 566568122 /nfs/dbraw/zinc/56/81/22/566568122.db2.gz YAZZSZXRCMHBIH-UHFFFAOYSA-N -1 3 387.075 3.480 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)s1 ZINC000578955602 566568302 /nfs/dbraw/zinc/56/83/02/566568302.db2.gz VQUYZPODAHVQNH-UHFFFAOYSA-N -1 3 377.285 3.163 20 0 GGADHM CCN1CCC(N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000486210014 566569105 /nfs/dbraw/zinc/56/91/05/566569105.db2.gz NBEKBMBFOIIFPK-UHFFFAOYSA-N -1 3 392.297 3.259 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)c1 ZINC000604536709 566569545 /nfs/dbraw/zinc/56/95/45/566569545.db2.gz SRESLSCSGHMFQE-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM O=S(=O)([N-]C1(C2CCC2)CC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000651871215 566570045 /nfs/dbraw/zinc/57/00/45/566570045.db2.gz DOKXZUCXIVJLNL-CYBMUJFWSA-N -1 3 385.913 3.366 20 0 GGADHM CC[C@H](CSC)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000539256104 566570071 /nfs/dbraw/zinc/57/00/71/566570071.db2.gz XRSYCZDXKNSPHJ-LLVKDONJSA-N -1 3 391.534 3.166 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(Cl)cn3)[n-]c(=O)c21 ZINC000559791512 566570500 /nfs/dbraw/zinc/57/05/00/566570500.db2.gz UFSNPOXIQNDHLZ-UHFFFAOYSA-N -1 3 376.825 3.166 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)c1Br ZINC000559805744 566570519 /nfs/dbraw/zinc/57/05/19/566570519.db2.gz TWMDKGVKCMHVDT-AWEZNQCLSA-N -1 3 384.295 3.078 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c(OC)cc1Br ZINC000651871609 566571492 /nfs/dbraw/zinc/57/14/92/566571492.db2.gz VLOOPPDHKHYIHH-UHFFFAOYSA-N -1 3 390.299 3.077 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000486248773 566571842 /nfs/dbraw/zinc/57/18/42/566571842.db2.gz GUNULYHAJSGFGC-UHFFFAOYSA-N -1 3 377.796 3.429 20 0 GGADHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000651889473 566572580 /nfs/dbraw/zinc/57/25/80/566572580.db2.gz UUNUNMJBMAWOIE-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000486268364 566572607 /nfs/dbraw/zinc/57/26/07/566572607.db2.gz HYSHMSOOSPRXJM-MLGOLLRUSA-N -1 3 375.918 3.468 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccco1 ZINC000486260114 566573069 /nfs/dbraw/zinc/57/30/69/566573069.db2.gz RBWOQFVBAHUCOW-CQSZACIVSA-N -1 3 386.901 3.303 20 0 GGADHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000651886340 566573292 /nfs/dbraw/zinc/57/32/92/566573292.db2.gz SNVKZSUBIZAZHO-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1 ZINC000559841140 566573381 /nfs/dbraw/zinc/57/33/81/566573381.db2.gz JAIYRDIUHQRSKG-QHCPKHFHSA-N -1 3 387.910 3.418 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000486260322 566573439 /nfs/dbraw/zinc/57/34/39/566573439.db2.gz POKLKFWBPVAODG-UHFFFAOYSA-N -1 3 378.837 3.482 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000539322138 566573733 /nfs/dbraw/zinc/57/37/33/566573733.db2.gz VRBJQKSCEGSRSH-LBPRGKRZSA-N -1 3 375.475 3.049 20 0 GGADHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000579020512 566573975 /nfs/dbraw/zinc/57/39/75/566573975.db2.gz NGPCJJBDMNKHRN-CYBMUJFWSA-N -1 3 399.310 3.118 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000674046434 566574251 /nfs/dbraw/zinc/57/42/51/566574251.db2.gz ZDVSJGOBOQQDCM-NSHDSACASA-N -1 3 380.329 3.022 20 0 GGADHM CCS(=O)(=O)c1cccc(CNCc2cc([O-])ccc2Br)c1 ZINC000466410950 566574795 /nfs/dbraw/zinc/57/47/95/566574795.db2.gz VZGVVXBUNKVUFN-UHFFFAOYSA-N -1 3 384.295 3.238 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000604768592 566575706 /nfs/dbraw/zinc/57/57/06/566575706.db2.gz TYHZBVCYROYURO-RISCZKNCSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)(C)[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000604750195 566576179 /nfs/dbraw/zinc/57/61/79/566576179.db2.gz UFIDSXYPEGWREH-LBPRGKRZSA-N -1 3 392.974 3.355 20 0 GGADHM Cc1ccnc2nc(C(=O)[N-]c3cc(F)c(Br)cc3Cl)nn21 ZINC000466455434 566576694 /nfs/dbraw/zinc/57/66/94/566576694.db2.gz YKZDQZOFXCLLFW-UHFFFAOYSA-N -1 3 384.596 3.240 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)c(Br)cc2Cl)o1 ZINC000466451465 566577010 /nfs/dbraw/zinc/57/70/10/566577010.db2.gz JGZYAOOJMDPSHA-UHFFFAOYSA-N -1 3 396.621 3.490 20 0 GGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000513066964 566577788 /nfs/dbraw/zinc/57/77/88/566577788.db2.gz BDOFSJVQAIOJSZ-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ccccn3)C2)c1Cl ZINC000513079199 566578220 /nfs/dbraw/zinc/57/82/20/566578220.db2.gz ADZRVFGZTXIYRQ-LBPRGKRZSA-N -1 3 386.304 3.254 20 0 GGADHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000539384477 566578440 /nfs/dbraw/zinc/57/84/40/566578440.db2.gz IVYLYAFKKAXCDT-HOTGVXAUSA-N -1 3 397.294 3.077 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1nc(N2CCCC2)ncc1Cl ZINC000674171677 566578663 /nfs/dbraw/zinc/57/86/63/566578663.db2.gz SPJKQJJKPCXHDF-UHFFFAOYSA-N -1 3 397.660 3.451 20 0 GGADHM CC(C)(C)c1nc(=NC(=O)NC[C@H](c2cccs2)N2CCCC2)s[n-]1 ZINC000604801147 566579034 /nfs/dbraw/zinc/57/90/34/566579034.db2.gz FFQTYZVKAIPAKR-GFCCVEGCSA-N -1 3 379.555 3.278 20 0 GGADHM COc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)c(Br)c1[O-] ZINC000513100030 566579205 /nfs/dbraw/zinc/57/92/05/566579205.db2.gz FOFFFDHWBVUDIA-HSZRJFAPSA-N -1 3 398.322 3.332 20 0 GGADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000559961750 566579388 /nfs/dbraw/zinc/57/93/88/566579388.db2.gz JANIVGQFVCSJOM-UHFFFAOYSA-N -1 3 381.929 3.264 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000559961750 566579392 /nfs/dbraw/zinc/57/93/92/566579392.db2.gz JANIVGQFVCSJOM-UHFFFAOYSA-N -1 3 381.929 3.264 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2cc(C)ccc21 ZINC000513132146 566580950 /nfs/dbraw/zinc/58/09/50/566580950.db2.gz PYCRDEQVMJHRBE-INIZCTEOSA-N -1 3 379.865 3.401 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)s1 ZINC000466520864 566581226 /nfs/dbraw/zinc/58/12/26/566581226.db2.gz FGPCIMRHSHKEQX-LLVKDONJSA-N -1 3 392.271 3.370 20 0 GGADHM C[C@@H]1OCC[C@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000559987947 566581351 /nfs/dbraw/zinc/58/13/51/566581351.db2.gz RIZJVEHDMXAGSU-GZMMTYOYSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1OCC[C@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000559987947 566581362 /nfs/dbraw/zinc/58/13/62/566581362.db2.gz RIZJVEHDMXAGSU-GZMMTYOYSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1OCC[C@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000559987947 566581369 /nfs/dbraw/zinc/58/13/69/566581369.db2.gz RIZJVEHDMXAGSU-GZMMTYOYSA-N -1 3 376.214 3.177 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1cc(Br)ccc1F ZINC000466520485 566581295 /nfs/dbraw/zinc/58/12/95/566581295.db2.gz VCNYTJLOAPXUEN-LBPRGKRZSA-N -1 3 390.205 3.139 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1ccc(F)c(C)c1 ZINC000466522072 566581345 /nfs/dbraw/zinc/58/13/45/566581345.db2.gz IXSOPSYEQHDPRR-INIZCTEOSA-N -1 3 383.466 3.049 20 0 GGADHM CSc1ccncc1[N-]C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC000674256946 566581626 /nfs/dbraw/zinc/58/16/26/566581626.db2.gz FKWDTWOKAYSFQP-UHFFFAOYSA-N -1 3 376.459 3.347 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(Br)c(F)c1 ZINC000466532815 566583344 /nfs/dbraw/zinc/58/33/44/566583344.db2.gz UIALWPWVMOCGLJ-CYBMUJFWSA-N -1 3 390.205 3.139 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000513139074 566583811 /nfs/dbraw/zinc/58/38/11/566583811.db2.gz YSLRWJQFBAMZRO-MRXNPFEDSA-N -1 3 379.865 3.483 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000513164551 566584735 /nfs/dbraw/zinc/58/47/35/566584735.db2.gz IOQMMAHTHAZIKH-UHFFFAOYSA-N -1 3 385.894 3.197 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)c1Cl ZINC000674334244 566584634 /nfs/dbraw/zinc/58/46/34/566584634.db2.gz UKBMPFRQMVDWPD-UHFFFAOYSA-N -1 3 375.277 3.418 20 0 GGADHM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000579150890 566585634 /nfs/dbraw/zinc/58/56/34/566585634.db2.gz HEVJFCAKGCXDIX-HNNXBMFYSA-N -1 3 382.482 3.243 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cncc(F)c1 ZINC000579183330 566586563 /nfs/dbraw/zinc/58/65/63/566586563.db2.gz ACSVPDLJGHYGBG-YEORSEQZSA-N -1 3 385.258 3.208 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1cccc(C(F)(F)F)c1 ZINC000674343293 566586836 /nfs/dbraw/zinc/58/68/36/566586836.db2.gz LLLMQIVSOOGMPI-ZDUSSCGKSA-N -1 3 394.440 3.445 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000513171424 566586947 /nfs/dbraw/zinc/58/69/47/566586947.db2.gz QBUHXUQKMCKHKF-XJKSGUPXSA-N -1 3 379.865 3.036 20 0 GGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513173008 566587034 /nfs/dbraw/zinc/58/70/34/566587034.db2.gz WTKIJAANRAZOOZ-OLZOCXBDSA-N -1 3 377.915 3.079 20 0 GGADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513173007 566587136 /nfs/dbraw/zinc/58/71/36/566587136.db2.gz WTKIJAANRAZOOZ-CHWSQXEVSA-N -1 3 377.915 3.079 20 0 GGADHM O=C(NCC1Cc2ccccc2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000604980376 566587817 /nfs/dbraw/zinc/58/78/17/566587817.db2.gz QNZRFPVNAXXCIP-UHFFFAOYSA-N -1 3 397.272 3.435 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Br)c(F)cc2Cl)o1 ZINC000674356378 566588152 /nfs/dbraw/zinc/58/81/52/566588152.db2.gz URGPYDXBMOKHIY-UHFFFAOYSA-N -1 3 396.621 3.490 20 0 GGADHM [O-]c1ccc(F)c(CNC[C@H](CO)Cc2ccc(Br)cc2)c1F ZINC000513242145 566590340 /nfs/dbraw/zinc/59/03/40/566590340.db2.gz PABNAJJMGFHAPT-GFCCVEGCSA-N -1 3 386.236 3.374 20 0 GGADHM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000560042127 566590608 /nfs/dbraw/zinc/59/06/08/566590608.db2.gz PKJQDCVIEVHXAX-OAHLLOKOSA-N -1 3 382.844 3.255 20 0 GGADHM [O-]c1ccc(F)c(CNC[C@H](CO)Cc2ccccc2Br)c1F ZINC000513242152 566590950 /nfs/dbraw/zinc/59/09/50/566590950.db2.gz PAZLYZNVFBDKKX-LLVKDONJSA-N -1 3 386.236 3.374 20 0 GGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccsc3Cl)cc2)n1 ZINC000560058420 566591432 /nfs/dbraw/zinc/59/14/32/566591432.db2.gz ZEJYLFPUTKYCRU-UHFFFAOYSA-N -1 3 375.837 3.478 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(C)Cc2ccccc2Cl)ccc1F ZINC000486458747 566592091 /nfs/dbraw/zinc/59/20/91/566592091.db2.gz JLROTGDGWFUMIX-UHFFFAOYSA-N -1 3 385.848 3.051 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000513245831 566592288 /nfs/dbraw/zinc/59/22/88/566592288.db2.gz LVQFAAVZUFPYKT-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM CCc1[nH]ccc1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000513298593 566594335 /nfs/dbraw/zinc/59/43/35/566594335.db2.gz NQQNRLMBGXKNBW-UHFFFAOYSA-N -1 3 385.848 3.063 20 0 GGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(CS(C)(=O)=O)c(C)s2)c(F)c1 ZINC000539651361 566594980 /nfs/dbraw/zinc/59/49/80/566594980.db2.gz PCALONDWHATMMY-UHFFFAOYSA-N -1 3 387.429 3.334 20 0 GGADHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000466731516 566595345 /nfs/dbraw/zinc/59/53/45/566595345.db2.gz OMIIXKILSRCLBI-AWEZNQCLSA-N -1 3 388.316 3.492 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2C)c1 ZINC000466755011 566597970 /nfs/dbraw/zinc/59/79/70/566597970.db2.gz WSIPLSBDDXLDPC-UHFFFAOYSA-N -1 3 393.408 3.340 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C(C)(C)O1 ZINC000539765330 566599472 /nfs/dbraw/zinc/59/94/72/566599472.db2.gz MAVRHHOCGNUBGL-LBPRGKRZSA-N -1 3 380.279 3.213 20 0 GGADHM [O-]c1ccc(Br)c(CN(CCN2CCOCC2)Cc2ccco2)c1 ZINC000449763523 566599478 /nfs/dbraw/zinc/59/94/78/566599478.db2.gz SIBNQWHAKIPCQV-UHFFFAOYSA-N -1 3 395.297 3.082 20 0 GGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1(C)C ZINC000466870555 566603572 /nfs/dbraw/zinc/60/35/72/566603572.db2.gz MZKIEBCENRTZHC-GXTWGEPZSA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1(C)C ZINC000466870556 566603598 /nfs/dbraw/zinc/60/35/98/566603598.db2.gz MZKIEBCENRTZHC-JSGCOSHPSA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1(C)C ZINC000466882970 566604076 /nfs/dbraw/zinc/60/40/76/566604076.db2.gz OHJYAAUBXNEBSY-GXTWGEPZSA-N -1 3 380.279 3.070 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)CO[C@H]2CCOC2)c1Cl ZINC000674711118 566604300 /nfs/dbraw/zinc/60/43/00/566604300.db2.gz OULJBLXEKHXBAL-JQWIXIFHSA-N -1 3 382.309 3.083 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)(C)C ZINC000466888690 566605065 /nfs/dbraw/zinc/60/50/65/566605065.db2.gz LSZVXQRCRZNZTJ-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1(C)C ZINC000466889586 566605989 /nfs/dbraw/zinc/60/59/89/566605989.db2.gz ZZSSAMUXTOCDCI-GXTWGEPZSA-N -1 3 380.279 3.070 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccc2)CCC1)c1ccc(Br)cn1 ZINC000605438781 566606550 /nfs/dbraw/zinc/60/65/50/566606550.db2.gz REVPOWUVOSEQGV-UHFFFAOYSA-N -1 3 381.295 3.244 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(Cl)c1F ZINC000513565304 566607850 /nfs/dbraw/zinc/60/78/50/566607850.db2.gz GHIHIXNEYUOQLN-UHFFFAOYSA-N -1 3 392.235 3.382 20 0 GGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000486650082 566607944 /nfs/dbraw/zinc/60/79/44/566607944.db2.gz HWXPXRSWUZOPSV-AWEZNQCLSA-N -1 3 386.256 3.300 20 0 GGADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 ZINC000486652374 566608053 /nfs/dbraw/zinc/60/80/53/566608053.db2.gz PPVFVHHUEOLDGU-UWVGGRQHSA-N -1 3 376.404 3.377 20 0 GGADHM CO[C@@]1(C)C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486650274 566608431 /nfs/dbraw/zinc/60/84/31/566608431.db2.gz KBEGOWDQORCKDM-YOEHRIQHSA-N -1 3 385.302 3.500 20 0 GGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000466921141 566608553 /nfs/dbraw/zinc/60/85/53/566608553.db2.gz JHNUTMWHNZQXMO-UHFFFAOYSA-N -1 3 385.379 3.245 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(Cl)ccc1F)c1ccc(Cl)s1 ZINC000513538205 566608869 /nfs/dbraw/zinc/60/88/69/566608869.db2.gz IELDDIBMSBHVDD-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC1CC(F)(F)C1 ZINC000449846085 566609362 /nfs/dbraw/zinc/60/93/62/566609362.db2.gz VMUUNBQIYYHSHL-UHFFFAOYSA-N -1 3 386.342 3.451 20 0 GGADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000425170474 566609643 /nfs/dbraw/zinc/60/96/43/566609643.db2.gz AFWPVSPSPXEMLG-HNNXBMFYSA-N -1 3 392.279 3.328 20 0 GGADHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)ccc21 ZINC000466959497 566610949 /nfs/dbraw/zinc/61/09/49/566610949.db2.gz KIYHZETYTIOULP-UHFFFAOYSA-N -1 3 388.779 3.347 20 0 GGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)CCCC1 ZINC000560278356 566613195 /nfs/dbraw/zinc/61/31/95/566613195.db2.gz QHCRHEPQECCHLW-ZDUSSCGKSA-N -1 3 381.485 3.386 20 0 GGADHM CCn1c2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3Cl)cc2oc1=O ZINC000466976468 566613435 /nfs/dbraw/zinc/61/34/35/566613435.db2.gz JMAYVCSNGXSMJJ-UHFFFAOYSA-N -1 3 382.825 3.077 20 0 GGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000605588655 566613478 /nfs/dbraw/zinc/61/34/78/566613478.db2.gz MRRAKRHAKVHCDD-ZDUSSCGKSA-N -1 3 394.331 3.331 20 0 GGADHM Cn1ncc2c1nc(CN1CCC[C@@H]1c1ccccc1Br)[n-]c2=O ZINC000674869703 566613735 /nfs/dbraw/zinc/61/37/35/566613735.db2.gz ZWQXIYNGDKSFHP-CQSZACIVSA-N -1 3 388.269 3.169 20 0 GGADHM O=C([O-])c1cn([C@H]2CCCN(CCCc3ccccc3Br)C2)nn1 ZINC000652502823 566613773 /nfs/dbraw/zinc/61/37/73/566613773.db2.gz CKQLHFWVTLMIAS-AWEZNQCLSA-N -1 3 393.285 3.009 20 0 GGADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(F)cccc1Cl ZINC000425190422 566614084 /nfs/dbraw/zinc/61/40/84/566614084.db2.gz DNWLHSWNRNHXCE-SNVBAGLBSA-N -1 3 383.819 3.407 20 0 GGADHM COc1ccc(CNc2ccc(C(=O)N(C)C)cc2)c(Br)c1[O-] ZINC000560274850 566614113 /nfs/dbraw/zinc/61/41/13/566614113.db2.gz MQRCTSSWYHONTH-UHFFFAOYSA-N -1 3 379.254 3.477 20 0 GGADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000674871607 566615173 /nfs/dbraw/zinc/61/51/73/566615173.db2.gz BKLOKDUKSAIDCP-VIFPVBQESA-N -1 3 378.263 3.495 20 0 GGADHM CCc1ccc(CC[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cc1 ZINC000605592116 566615282 /nfs/dbraw/zinc/61/52/82/566615282.db2.gz COZURCMKHHWZRR-ZDUSSCGKSA-N -1 3 380.535 3.029 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000579517302 566615548 /nfs/dbraw/zinc/61/55/48/566615548.db2.gz HHHGVPVSRLOIHV-MRXNPFEDSA-N -1 3 385.844 3.121 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1C(=O)OC(C)C ZINC000579518758 566615962 /nfs/dbraw/zinc/61/59/62/566615962.db2.gz QLAMQZBNHWCSIS-CQSZACIVSA-N -1 3 379.400 3.179 20 0 GGADHM COc1cc(Br)c(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1OC ZINC000652514834 566616027 /nfs/dbraw/zinc/61/60/27/566616027.db2.gz DHJDUKRAMDLKLD-QWHCGFSZSA-N -1 3 384.270 3.009 20 0 GGADHM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000539951381 566616624 /nfs/dbraw/zinc/61/66/24/566616624.db2.gz OHXYMGGMXQSEMW-UHFFFAOYSA-N -1 3 398.849 3.243 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCOC2)C1)c1c(Cl)ccc2ccccc21 ZINC000539950858 566617223 /nfs/dbraw/zinc/61/72/23/566617223.db2.gz QHUCZCHUGVEYAD-KDOFPFPSSA-N -1 3 381.881 3.110 20 0 GGADHM CCOC(=O)c1ccc(NCc2ccc(OC)c([O-])c2Br)cn1 ZINC000579536710 566617526 /nfs/dbraw/zinc/61/75/26/566617526.db2.gz PXKKFWBQYWYIAC-UHFFFAOYSA-N -1 3 381.226 3.347 20 0 GGADHM C[C@@H]1OCC[C@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000539974949 566618866 /nfs/dbraw/zinc/61/88/66/566618866.db2.gz XIFKYGMCBVEIAO-WCBMZHEXSA-N -1 3 384.661 3.278 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000425220291 566619208 /nfs/dbraw/zinc/61/92/08/566619208.db2.gz UHIQXAPEKROEIU-OAHLLOKOSA-N -1 3 383.901 3.460 20 0 GGADHM CC1(C)CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000513730191 566619983 /nfs/dbraw/zinc/61/99/83/566619983.db2.gz IZXQKIZRRMXKOT-NSHDSACASA-N -1 3 378.416 3.292 20 0 GGADHM O=C(Cc1cccc2cccnc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513747891 566620652 /nfs/dbraw/zinc/62/06/52/566620652.db2.gz XHAQBEWTKDAOJG-UHFFFAOYSA-N -1 3 381.233 3.248 20 0 GGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000449978702 566620677 /nfs/dbraw/zinc/62/06/77/566620677.db2.gz OJAMLTOUNDBYRM-VIFPVBQESA-N -1 3 382.379 3.184 20 0 GGADHM O=C(CCC(=O)c1cccc(F)c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513751410 566621060 /nfs/dbraw/zinc/62/10/60/566621060.db2.gz CFTFTISKYNBUKY-UHFFFAOYSA-N -1 3 390.212 3.259 20 0 GGADHM COc1ccc2[nH]c(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc2c1 ZINC000513747889 566621532 /nfs/dbraw/zinc/62/15/32/566621532.db2.gz XGRHISMTERGHSL-UHFFFAOYSA-N -1 3 385.221 3.261 20 0 GGADHM CCCCn1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(C)n1 ZINC000513759990 566622549 /nfs/dbraw/zinc/62/25/49/566622549.db2.gz FJQUAWWOHOBSSX-UHFFFAOYSA-N -1 3 376.258 3.076 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629218087 566623544 /nfs/dbraw/zinc/62/35/44/566623544.db2.gz VBLZOTCVDOVUNG-SECBINFHSA-N -1 3 377.857 3.150 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)c(C)c1 ZINC000540043427 566624348 /nfs/dbraw/zinc/62/43/48/566624348.db2.gz XQBBANFTTFYXGV-UHFFFAOYSA-N -1 3 391.312 3.010 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)c(F)c1 ZINC000486824923 566625092 /nfs/dbraw/zinc/62/50/92/566625092.db2.gz ROSDTCPBWOFRRC-ZETCQYMHSA-N -1 3 384.376 3.349 20 0 GGADHM C[C@](O)(CCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000513806189 566625850 /nfs/dbraw/zinc/62/58/50/566625850.db2.gz FCSBVXQRBLWJKD-SFHVURJKSA-N -1 3 378.266 3.155 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C)s1 ZINC000579636751 566626495 /nfs/dbraw/zinc/62/64/95/566626495.db2.gz ZLVUMJXRNCOVGO-UHFFFAOYSA-N -1 3 388.898 3.155 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000560452397 566626691 /nfs/dbraw/zinc/62/66/91/566626691.db2.gz XMYUAYWVGTYUSA-UHFFFAOYSA-N -1 3 383.853 3.231 20 0 GGADHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000675151753 566626737 /nfs/dbraw/zinc/62/67/37/566626737.db2.gz YAPALCQNXILBQW-UHFFFAOYSA-N -1 3 375.277 3.418 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H](CC)CO1 ZINC000652765146 566627217 /nfs/dbraw/zinc/62/72/17/566627217.db2.gz WUDKRRUUBRXVNG-CHWSQXEVSA-N -1 3 393.281 3.320 20 0 GGADHM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000652765147 566627703 /nfs/dbraw/zinc/62/77/03/566627703.db2.gz WUDKRRUUBRXVNG-OLZOCXBDSA-N -1 3 393.281 3.320 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1nc(C(F)(F)F)cs1 ZINC000486840899 566628829 /nfs/dbraw/zinc/62/88/29/566628829.db2.gz DFPKVTNEJQOJHK-QMMMGPOBSA-N -1 3 378.397 3.232 20 0 GGADHM CCCN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000606410326 566629010 /nfs/dbraw/zinc/62/90/10/566629010.db2.gz FNRBCDOTZXMTHJ-QMTHXVAHSA-N -1 3 386.279 3.281 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000513846273 566629005 /nfs/dbraw/zinc/62/90/05/566629005.db2.gz KRKUIDLQAVTRHX-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)sc1Br ZINC000513835451 566629445 /nfs/dbraw/zinc/62/94/45/566629445.db2.gz NRIRSNZRQJJRHA-NSHDSACASA-N -1 3 384.361 3.140 20 0 GGADHM CCCN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000606410324 566629694 /nfs/dbraw/zinc/62/96/94/566629694.db2.gz FNRBCDOTZXMTHJ-HZMBPMFUSA-N -1 3 386.279 3.281 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)c1 ZINC000513849187 566630721 /nfs/dbraw/zinc/63/07/21/566630721.db2.gz URHQLGYKEPUSGZ-SNVBAGLBSA-N -1 3 396.515 3.054 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC(C)C)C2CC2)cc1 ZINC000606455802 566631145 /nfs/dbraw/zinc/63/11/45/566631145.db2.gz YIWHTYGAACGXRV-UHFFFAOYSA-N -1 3 388.555 3.038 20 0 GGADHM Cc1cc(F)c(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(F)c1 ZINC000425319327 566631263 /nfs/dbraw/zinc/63/12/63/566631263.db2.gz AWUMFTRXWZSMPG-UHFFFAOYSA-N -1 3 386.489 3.278 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)CCC)cc1 ZINC000606455978 566631440 /nfs/dbraw/zinc/63/14/40/566631440.db2.gz ISEJBNTYGLIIGS-CQSZACIVSA-N -1 3 376.544 3.038 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CCC)cc1 ZINC000606455977 566631463 /nfs/dbraw/zinc/63/14/63/566631463.db2.gz ISEJBNTYGLIIGS-AWEZNQCLSA-N -1 3 376.544 3.038 20 0 GGADHM O=S(=O)([N-][C@@H]1CSc2ccc(Br)cc21)c1cncc(F)c1 ZINC000486860228 566631766 /nfs/dbraw/zinc/63/17/66/566631766.db2.gz RZOLXTRPENLLSO-GFCCVEGCSA-N -1 3 389.271 3.109 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)cc1 ZINC000606456920 566632466 /nfs/dbraw/zinc/63/24/66/566632466.db2.gz PVVJGVZIVJQFEH-QGZVFWFLSA-N -1 3 388.555 3.038 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C)CCCCC2)cc1 ZINC000606456623 566632753 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GGADHM Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000606869450 566648390 /nfs/dbraw/zinc/64/83/90/566648390.db2.gz LGLKNTUDIMLMOK-MRVPVSSYSA-N -1 3 392.282 3.490 20 0 GGADHM Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000606869450 566648393 /nfs/dbraw/zinc/64/83/93/566648393.db2.gz LGLKNTUDIMLMOK-MRVPVSSYSA-N -1 3 392.282 3.490 20 0 GGADHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000487118580 566649787 /nfs/dbraw/zinc/64/97/87/566649787.db2.gz BFSDFSVSYFSNMM-NHYWBVRUSA-N -1 3 394.306 3.318 20 0 GGADHM CCOc1cc(CN2CCC3(CC2)CCS(=O)(=O)CC3)cc(Cl)c1[O-] ZINC000579925013 566650446 /nfs/dbraw/zinc/65/04/46/566650446.db2.gz PLRHCRTYKQILBO-UHFFFAOYSA-N -1 3 387.929 3.235 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)c1nccs1 ZINC000606912017 566650692 /nfs/dbraw/zinc/65/06/92/566650692.db2.gz MJUFGFHNUVSXFG-BONVTDFDSA-N -1 3 387.552 3.005 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000467510056 566651317 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O=C([O-])CCC1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629490290 566662109 /nfs/dbraw/zinc/66/21/09/566662109.db2.gz RUPBGZAUUFDKTI-INIZCTEOSA-N -1 3 395.297 3.279 20 0 GGADHM C[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@@H]1C(=O)[O-] ZINC000629495271 566662264 /nfs/dbraw/zinc/66/22/64/566662264.db2.gz IKJHVFKNBACSKA-WBMJQRKESA-N -1 3 390.281 3.449 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629488460 566662537 /nfs/dbraw/zinc/66/25/37/566662537.db2.gz NDMXOMGRTWKWFL-BLLLJJGKSA-N -1 3 395.297 3.279 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000467758995 566662593 /nfs/dbraw/zinc/66/25/93/566662593.db2.gz LEDNLELTYLOIMV-UHFFFAOYSA-N -1 3 397.856 3.395 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)n1 ZINC000675753824 566662599 /nfs/dbraw/zinc/66/25/99/566662599.db2.gz IFDXEIFZXJZUKF-UHFFFAOYSA-N -1 3 385.561 3.466 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc2)CC1 ZINC000540649425 566662586 /nfs/dbraw/zinc/66/25/86/566662586.db2.gz POFGQEVDZGRRLE-UHFFFAOYSA-N -1 3 383.828 3.485 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)cc1Cl ZINC000467766340 566663315 /nfs/dbraw/zinc/66/33/15/566663315.db2.gz GLEMAXLHCBHGDL-UHFFFAOYSA-N -1 3 396.321 3.455 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1C1CCCCC1 ZINC000675759446 566663856 /nfs/dbraw/zinc/66/38/56/566663856.db2.gz BFWFVNIAWICKFK-HNNXBMFYSA-N -1 3 391.320 3.205 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000467768236 566664072 /nfs/dbraw/zinc/66/40/72/566664072.db2.gz LEYWYADLTSLFRE-UHFFFAOYSA-N -1 3 381.401 3.039 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000675757486 566664709 /nfs/dbraw/zinc/66/47/09/566664709.db2.gz KICOZXIKBXNNHC-CYBMUJFWSA-N -1 3 385.580 3.333 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000467777739 566664872 /nfs/dbraw/zinc/66/48/72/566664872.db2.gz YKKZNAOFROSTPS-UHFFFAOYSA-N -1 3 379.429 3.333 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C)nc3c(OC)cccc23)s1 ZINC000675790185 566665244 /nfs/dbraw/zinc/66/52/44/566665244.db2.gz VQGIKLPGIAJLQE-UHFFFAOYSA-N -1 3 377.491 3.134 20 0 GGADHM COc1ccc(C(=O)N=c2[n-]n(C)cc2Br)c(OCCC(C)C)c1 ZINC000514727557 566665276 /nfs/dbraw/zinc/66/52/76/566665276.db2.gz CRAKKSHQSGBCKC-UHFFFAOYSA-N -1 3 396.285 3.290 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](C)(CC)C2)cc1 ZINC000467774825 566665631 /nfs/dbraw/zinc/66/56/31/566665631.db2.gz XRLFGOADLNOBSI-QGZVFWFLSA-N -1 3 388.555 3.039 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)c[nH]1 ZINC000607287248 566666154 /nfs/dbraw/zinc/66/61/54/566666154.db2.gz OVDCSZCABQFDAK-UHFFFAOYSA-N -1 3 384.299 3.263 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)C ZINC000467788416 566666730 /nfs/dbraw/zinc/66/67/30/566666730.db2.gz JRJAYVRDEXRQOI-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2cccc(Br)c2)C1)c1cccs1 ZINC000487358523 566666808 /nfs/dbraw/zinc/66/68/08/566666808.db2.gz AFTMQRNURVWEOC-LBPRGKRZSA-N -1 3 387.324 3.068 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000487376456 566668082 /nfs/dbraw/zinc/66/80/82/566668082.db2.gz GSYMUWAFKHSCKX-UHFFFAOYSA-N -1 3 391.823 3.471 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1n[nH]cc1Br ZINC000514765883 566668442 /nfs/dbraw/zinc/66/84/42/566668442.db2.gz MXPPQMZPHAVODS-UHFFFAOYSA-N -1 3 385.070 3.421 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000487382041 566668446 /nfs/dbraw/zinc/66/84/46/566668446.db2.gz YNIVWJPHBJFDAR-AWEZNQCLSA-N -1 3 379.787 3.423 20 0 GGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000540736064 566668492 /nfs/dbraw/zinc/66/84/92/566668492.db2.gz CUWFKAHPVYDPMJ-QWHCGFSZSA-N -1 3 394.306 3.460 20 0 GGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000540728904 566668514 /nfs/dbraw/zinc/66/85/14/566668514.db2.gz UGLVADIKDIOFAM-CYBMUJFWSA-N -1 3 384.864 3.474 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1ccc(Cl)cc1 ZINC000487384260 566668773 /nfs/dbraw/zinc/66/87/73/566668773.db2.gz ZHRLDDVFOVNKJE-QGZVFWFLSA-N -1 3 385.869 3.023 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)ccc1F ZINC000561000312 566668834 /nfs/dbraw/zinc/66/88/34/566668834.db2.gz JYYPUWJGODMGQZ-UHFFFAOYSA-N -1 3 381.816 3.121 20 0 GGADHM O=S(=O)([N-][C@@H](Cn1cccn1)c1ccccc1)c1cccc(Cl)c1F ZINC000607362632 566668848 /nfs/dbraw/zinc/66/88/48/566668848.db2.gz BZKXGRULMWXPRJ-HNNXBMFYSA-N -1 3 379.844 3.395 20 0 GGADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000540736065 566669032 /nfs/dbraw/zinc/66/90/32/566669032.db2.gz CUWFKAHPVYDPMJ-STQMWFEESA-N -1 3 394.306 3.460 20 0 GGADHM O=S(=O)([N-][C@H](Cn1cccn1)c1ccccc1)c1cc(F)ccc1Cl ZINC000607362585 566669425 /nfs/dbraw/zinc/66/94/25/566669425.db2.gz AMCWXMKCRGIOKO-MRXNPFEDSA-N -1 3 379.844 3.395 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)s1 ZINC000607363852 566669528 /nfs/dbraw/zinc/66/95/28/566669528.db2.gz VJIJDSYIODVIKH-ZIAGYGMSSA-N -1 3 380.535 3.336 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000514797729 566669857 /nfs/dbraw/zinc/66/98/57/566669857.db2.gz DIUGMZOSHXAXKM-VDDIYKPWSA-N -1 3 378.263 3.064 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000487403825 566670075 /nfs/dbraw/zinc/67/00/75/566670075.db2.gz SNMIVCCNEIFNCB-LLVKDONJSA-N -1 3 394.674 3.362 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)s1 ZINC000514783281 566670203 /nfs/dbraw/zinc/67/02/03/566670203.db2.gz VQLAIHFOSOZIKK-UHFFFAOYSA-N -1 3 378.479 3.079 20 0 GGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnnn1-c1ccccc1Cl ZINC000675944475 566670897 /nfs/dbraw/zinc/67/08/97/566670897.db2.gz NQOPODOVWXYBSM-UHFFFAOYSA-N -1 3 388.762 3.129 20 0 GGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]Cc1nnc(C2CC2)s1 ZINC000580171207 566671189 /nfs/dbraw/zinc/67/11/89/566671189.db2.gz JTWCRVQWJNXQEU-UHFFFAOYSA-N -1 3 377.413 3.054 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1OCCc2ccccc21 ZINC000675988047 566671773 /nfs/dbraw/zinc/67/17/73/566671773.db2.gz WTZDVJOYAPWQNV-QGZVFWFLSA-N -1 3 391.265 3.268 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc3cc(Br)cnc32)o1 ZINC000561043706 566672388 /nfs/dbraw/zinc/67/23/88/566672388.db2.gz BZWGCXVMOKTMAZ-UHFFFAOYSA-N -1 3 395.234 3.246 20 0 GGADHM Cn1cc(Br)c(=NC(=O)c2ccccc2CCC(F)(F)F)[n-]1 ZINC000580195017 566673002 /nfs/dbraw/zinc/67/30/02/566673002.db2.gz KOGPSCUQHJZSBY-UHFFFAOYSA-N -1 3 376.176 3.352 20 0 GGADHM CO[C@H](C[C@H](NCc1cc(Br)ccc1Cl)C(=O)[O-])C1CC1 ZINC000653507931 566673939 /nfs/dbraw/zinc/67/39/39/566673939.db2.gz VMLJVIALDKRZFK-UONOGXRCSA-N -1 3 376.678 3.460 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1c(Cl)ccc(F)c1F ZINC000580228153 566676278 /nfs/dbraw/zinc/67/62/78/566676278.db2.gz POZQARCSXOFGDZ-UHFFFAOYSA-N -1 3 378.872 3.304 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1ccc(C(F)(F)F)cc1F ZINC000580237709 566676360 /nfs/dbraw/zinc/67/63/60/566676360.db2.gz BVRAYIRZFWTIRC-JTQLQIEISA-N -1 3 375.343 3.299 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1cc(F)c(F)c(F)c1 ZINC000561104588 566676621 /nfs/dbraw/zinc/67/66/21/566676621.db2.gz XRRNBBRVMIGLID-NOZJJQNGSA-N -1 3 377.409 3.364 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)CCCC(F)(F)F)CCCN1c1ccccc1Cl ZINC000540877345 566678205 /nfs/dbraw/zinc/67/82/05/566678205.db2.gz QXUFPORFRAKXGR-LBPRGKRZSA-N -1 3 398.834 3.097 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCCC3(F)F)cc2N1 ZINC000514912513 566678733 /nfs/dbraw/zinc/67/87/33/566678733.db2.gz VUCVZSGDBAOZDA-LLVKDONJSA-N -1 3 392.855 3.329 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C(F)(F)F ZINC000425792605 566678784 /nfs/dbraw/zinc/67/87/84/566678784.db2.gz DZFOFFZCOPNUIS-SCSAIBSYSA-N -1 3 391.546 3.247 20 0 GGADHM COc1cc(Cl)c(Br)cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000561150945 566679905 /nfs/dbraw/zinc/67/99/05/566679905.db2.gz YLRPVWIJMIMQRH-UHFFFAOYSA-N -1 3 380.629 3.433 20 0 GGADHM CCOc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000487563732 566681170 /nfs/dbraw/zinc/68/11/70/566681170.db2.gz SPFMDEVAVNOQHG-UHFFFAOYSA-N -1 3 392.905 3.007 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000540940003 566682952 /nfs/dbraw/zinc/68/29/52/566682952.db2.gz TWGRXCDZOQDQIP-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM C[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1C(=O)[O-] ZINC000629772366 566683888 /nfs/dbraw/zinc/68/38/88/566683888.db2.gz NSFPUJGWJBROTB-MLGOLLRUSA-N -1 3 378.270 3.177 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629771989 566684347 /nfs/dbraw/zinc/68/43/47/566684347.db2.gz KQGBYMNQUWOBMO-PXAZEXFGSA-N -1 3 392.297 3.486 20 0 GGADHM CCc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2Br)ccc1[O-] ZINC000487623728 566684603 /nfs/dbraw/zinc/68/46/03/566684603.db2.gz SDIHTOWSIIYFGW-ZDUSSCGKSA-N -1 3 392.293 3.298 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629771992 566684782 /nfs/dbraw/zinc/68/47/82/566684782.db2.gz KQGBYMNQUWOBMO-YVEFUNNKSA-N -1 3 392.297 3.486 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629771990 566684826 /nfs/dbraw/zinc/68/48/26/566684826.db2.gz KQGBYMNQUWOBMO-SJCJKPOMSA-N -1 3 392.297 3.486 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCN(C)c3cc(Br)ccc32)c1 ZINC000561200101 566684979 /nfs/dbraw/zinc/68/49/79/566684979.db2.gz FMBVDWSJTBHKRQ-UHFFFAOYSA-N -1 3 377.238 3.260 20 0 GGADHM CN(CCCN(C)C(=O)c1ccc(Br)c([O-])c1)Cc1ccco1 ZINC000580358957 566686421 /nfs/dbraw/zinc/68/64/21/566686421.db2.gz MXDWRBJDIQZRTG-UHFFFAOYSA-N -1 3 381.270 3.342 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)c1F ZINC000540992678 566686784 /nfs/dbraw/zinc/68/67/84/566686784.db2.gz ZCFBATIPLUSNLI-CYBMUJFWSA-N -1 3 377.359 3.165 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Br)s2)c(=O)[n-]1 ZINC000468172733 566687099 /nfs/dbraw/zinc/68/70/99/566687099.db2.gz CGOWOUVHZZMQOV-SECBINFHSA-N -1 3 384.299 3.433 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629851481 566687125 /nfs/dbraw/zinc/68/71/25/566687125.db2.gz GSKLYADXJMSUTM-OAHLLOKOSA-N -1 3 398.937 3.264 20 0 GGADHM CCc1cc(C(=O)N(CCO)Cc2cccc(Br)c2)ccc1[O-] ZINC000487704506 566687733 /nfs/dbraw/zinc/68/77/33/566687733.db2.gz CPWDQCZLZSGAGF-UHFFFAOYSA-N -1 3 378.266 3.352 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000487719131 566688767 /nfs/dbraw/zinc/68/87/67/566688767.db2.gz YCDSEZYUOGWUSZ-KRWDZBQOSA-N -1 3 398.937 3.256 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)s1 ZINC000608030599 566692038 /nfs/dbraw/zinc/69/20/38/566692038.db2.gz URPRIVMTPQAMOR-NWDGAFQWSA-N -1 3 386.564 3.164 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)s1 ZINC000608030598 566692349 /nfs/dbraw/zinc/69/23/49/566692349.db2.gz URPRIVMTPQAMOR-NEPJUHHUSA-N -1 3 386.564 3.164 20 0 GGADHM CO[C@H]1COCC[C@H]1CC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000450644428 566692596 /nfs/dbraw/zinc/69/25/96/566692596.db2.gz KRWYMKWQKYOZKL-ZANVPECISA-N -1 3 385.251 3.159 20 0 GGADHM CC1(C)CC[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000426131296 566693496 /nfs/dbraw/zinc/69/34/96/566693496.db2.gz ZROWIJZDRGFBCM-CYBMUJFWSA-N -1 3 382.233 3.296 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)s1 ZINC000608032507 566693596 /nfs/dbraw/zinc/69/35/96/566693596.db2.gz CQHBTQSTCTYLLB-YUSALJHKSA-N -1 3 394.356 3.301 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000608033033 566694003 /nfs/dbraw/zinc/69/40/03/566694003.db2.gz NBTOEVJOHYMDSH-ZWZTZDBGSA-N -1 3 394.320 3.484 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cscn1 ZINC000561314295 566693990 /nfs/dbraw/zinc/69/39/90/566693990.db2.gz FMLCEZICEKFLGQ-VIFPVBQESA-N -1 3 380.322 3.079 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000608032504 566694570 /nfs/dbraw/zinc/69/45/70/566694570.db2.gz CQHBTQSTCTYLLB-JLLWLGSASA-N -1 3 394.356 3.301 20 0 GGADHM CCO[C@@H]1C[C@](N)(C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1(C)C ZINC000580442487 566694793 /nfs/dbraw/zinc/69/47/93/566694793.db2.gz CQEMFECBHUEYHI-ABAIWWIYSA-N -1 3 391.693 3.279 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCc3sc(Br)cc3C2)c(=O)[n-]1 ZINC000676439278 566695366 /nfs/dbraw/zinc/69/53/66/566695366.db2.gz WZPDJPNBLZGAHJ-UHFFFAOYSA-N -1 3 396.310 3.141 20 0 GGADHM C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc2S1 ZINC000515185254 566695696 /nfs/dbraw/zinc/69/56/96/566695696.db2.gz QKLOJURXZDUYIE-ZDUSSCGKSA-N -1 3 396.559 3.334 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)s1 ZINC000608040494 566695744 /nfs/dbraw/zinc/69/57/44/566695744.db2.gz AGNVVDZBPHERSS-QWHCGFSZSA-N -1 3 398.575 3.404 20 0 GGADHM CCO[C@H](C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C1CC1 ZINC000629959732 566696031 /nfs/dbraw/zinc/69/60/31/566696031.db2.gz WZSPRAVRVINYSX-LBPRGKRZSA-N -1 3 383.221 3.127 20 0 GGADHM CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)COC1 ZINC000541085305 566696620 /nfs/dbraw/zinc/69/66/20/566696620.db2.gz ONSSEASYZHLBJY-UHFFFAOYSA-N -1 3 380.853 3.116 20 0 GGADHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000580490845 566697049 /nfs/dbraw/zinc/69/70/49/566697049.db2.gz XDFMUASFRHINCY-UHFFFAOYSA-N -1 3 378.148 3.317 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCOCC1 ZINC000676563486 566700441 /nfs/dbraw/zinc/70/04/41/566700441.db2.gz VMRIKWJXVXENJK-UHFFFAOYSA-N -1 3 382.309 3.084 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)s1 ZINC000676640199 566701531 /nfs/dbraw/zinc/70/15/31/566701531.db2.gz QBBGAIYJDPRCSS-CQSZACIVSA-N -1 3 384.567 3.258 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCCC[C@@H]1O ZINC000541212411 566702895 /nfs/dbraw/zinc/70/28/95/566702895.db2.gz PXHUDSHMDLGOBV-UONOGXRCSA-N -1 3 396.734 3.322 20 0 GGADHM O=C(c1sc2ccccc2c1Br)N1CCc2nc[n-]c(=O)c2C1 ZINC000515306958 566704046 /nfs/dbraw/zinc/70/40/46/566704046.db2.gz MTFFSADFKBWGSN-UHFFFAOYSA-N -1 3 390.262 3.358 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000515349265 566706588 /nfs/dbraw/zinc/70/65/88/566706588.db2.gz DCHFXJHNFWETQR-IACUBPJLSA-N -1 3 379.881 3.313 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1cccc(Br)c1F ZINC000541247746 566707987 /nfs/dbraw/zinc/70/79/87/566707987.db2.gz OLFLSGOILGFTDA-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM COC(=O)c1ccc(-c2nc(Cc3cc(Br)ccc3F)no2)[n-]1 ZINC000426400232 566708428 /nfs/dbraw/zinc/70/84/28/566708428.db2.gz BYKDEORDLJHXQR-UHFFFAOYSA-N -1 3 380.173 3.344 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cc(F)ccc1F)c1cc(Cl)ccc1Cl ZINC000676848265 566709701 /nfs/dbraw/zinc/70/97/01/566709701.db2.gz CIERDTURVJMKNQ-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM CN1CC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000676824547 566709813 /nfs/dbraw/zinc/70/98/13/566709813.db2.gz MNWWNMQGMMARMM-CQSZACIVSA-N -1 3 375.266 3.395 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)COc2ccccc2)c1Cl ZINC000676847677 566710265 /nfs/dbraw/zinc/71/02/65/566710265.db2.gz RUHQPHGYCTUEDI-LBPRGKRZSA-N -1 3 390.288 3.020 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cc(F)ccc1F)c1cc(Cl)ccc1Cl ZINC000676848266 566710295 /nfs/dbraw/zinc/71/02/95/566710295.db2.gz CIERDTURVJMKNQ-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000561506216 566710515 /nfs/dbraw/zinc/71/05/15/566710515.db2.gz VWYJJLPEZTYCNL-UHFFFAOYSA-N -1 3 399.925 3.155 20 0 GGADHM CCCNc1ccc(Cl)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000488154847 566711284 /nfs/dbraw/zinc/71/12/84/566711284.db2.gz ZZXGUWKELBNUCS-UHFFFAOYSA-N -1 3 382.873 3.181 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cc(F)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000676848671 566711369 /nfs/dbraw/zinc/71/13/69/566711369.db2.gz JOCIMHZCGNSQPD-AWEZNQCLSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@](C)(CO)c3ccccc3)s2)cs1 ZINC000676850162 566711539 /nfs/dbraw/zinc/71/15/39/566711539.db2.gz BAHKLRKVFTYWIA-KRWDZBQOSA-N -1 3 394.543 3.366 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000676863578 566712994 /nfs/dbraw/zinc/71/29/94/566712994.db2.gz RJLLEKGPTVEGRB-SMDDNHRTSA-N -1 3 386.926 3.293 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(Br)c2c1OCCC2 ZINC000426467456 566713240 /nfs/dbraw/zinc/71/32/40/566713240.db2.gz HCLRMYFQLFWZKG-UHFFFAOYSA-N -1 3 389.209 3.405 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(Br)c2c1OCCC2 ZINC000426467456 566713247 /nfs/dbraw/zinc/71/32/47/566713247.db2.gz HCLRMYFQLFWZKG-UHFFFAOYSA-N -1 3 389.209 3.405 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)c2c1OCCC2 ZINC000426467456 566713251 /nfs/dbraw/zinc/71/32/51/566713251.db2.gz HCLRMYFQLFWZKG-UHFFFAOYSA-N -1 3 389.209 3.405 20 0 GGADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000608341674 566713267 /nfs/dbraw/zinc/71/32/67/566713267.db2.gz NFQOGRZZNHDFNQ-UHFFFAOYSA-N -1 3 399.285 3.377 20 0 GGADHM COc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561523840 566713600 /nfs/dbraw/zinc/71/36/00/566713600.db2.gz HKJWJSLQFBUVDO-UHFFFAOYSA-N -1 3 379.331 3.211 20 0 GGADHM O=S(=O)([N-][C@H](CO)C1CCCC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000580679952 566713743 /nfs/dbraw/zinc/71/37/43/566713743.db2.gz XYCQWGHYMKLTJT-MRXNPFEDSA-N -1 3 387.929 3.348 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)s1 ZINC000541310130 566713818 /nfs/dbraw/zinc/71/38/18/566713818.db2.gz WQDLHGFCTCZYBY-KOLCDFICSA-N -1 3 382.345 3.303 20 0 GGADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000676891232 566714162 /nfs/dbraw/zinc/71/41/62/566714162.db2.gz CYNYMEZTLQBZFB-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000580672118 566714128 /nfs/dbraw/zinc/71/41/28/566714128.db2.gz LBBPUKNPOVYCQO-BJOHPYRUSA-N -1 3 386.242 3.389 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000676891233 566714290 /nfs/dbraw/zinc/71/42/90/566714290.db2.gz CYNYMEZTLQBZFB-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000630227703 566714800 /nfs/dbraw/zinc/71/48/00/566714800.db2.gz QXXIKZADXHLVAF-QWHCGFSZSA-N -1 3 385.291 3.104 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000608363135 566715020 /nfs/dbraw/zinc/71/50/20/566715020.db2.gz FMXPQDVYGVYQBG-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000541314239 566715156 /nfs/dbraw/zinc/71/51/56/566715156.db2.gz YBMOTCLJIGMRQA-QWRGUYRKSA-N -1 3 380.279 3.072 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000608363134 566715267 /nfs/dbraw/zinc/71/52/67/566715267.db2.gz FMXPQDVYGVYQBG-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM CN1CCN(C(=O)c2n[n-]c(-c3ccccc3)c2Br)c2cccnc21 ZINC000488227187 566715813 /nfs/dbraw/zinc/71/58/13/566715813.db2.gz HEJQYTMSYMDEFC-UHFFFAOYSA-N -1 3 398.264 3.331 20 0 GGADHM CN1CCN(C(=O)c2[n-]nc(-c3ccccc3)c2Br)c2cccnc21 ZINC000488227187 566715816 /nfs/dbraw/zinc/71/58/16/566715816.db2.gz HEJQYTMSYMDEFC-UHFFFAOYSA-N -1 3 398.264 3.331 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000515494791 566716342 /nfs/dbraw/zinc/71/63/42/566716342.db2.gz GFSKQWZNDJTXSR-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1cc(F)cc(F)c1 ZINC000515518781 566717267 /nfs/dbraw/zinc/71/72/67/566717267.db2.gz NJSGMUMLWUDEHS-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM Cc1ncc(CNC(=O)N[C@H](C)CCc2ccc(Br)cc2)c(=O)[n-]1 ZINC000541338925 566718500 /nfs/dbraw/zinc/71/85/00/566718500.db2.gz QDMZFWVPQAMLFN-LLVKDONJSA-N -1 3 393.285 3.074 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cn(C)c1=O ZINC000488281645 566719363 /nfs/dbraw/zinc/71/93/63/566719363.db2.gz GRPNKFRLMIVMMI-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)c1 ZINC000561554822 566719406 /nfs/dbraw/zinc/71/94/06/566719406.db2.gz SSSQIDYSKYMUIX-JTQLQIEISA-N -1 3 386.832 3.090 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Cc3oc(C)cc32)s1 ZINC000515527203 566719684 /nfs/dbraw/zinc/71/96/84/566719684.db2.gz RJJJTHAXRVMMGM-GFCCVEGCSA-N -1 3 383.491 3.428 20 0 GGADHM CC(=O)Nc1nc(C(=O)N=c2[nH][n-]c(C)c2-c2cccc(Cl)c2)cs1 ZINC000608469818 566720099 /nfs/dbraw/zinc/72/00/99/566720099.db2.gz OTQIJFWPBNZGCS-UHFFFAOYSA-N -1 3 375.841 3.128 20 0 GGADHM COc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1Br ZINC000426627386 566720094 /nfs/dbraw/zinc/72/00/94/566720094.db2.gz GAIIXGQHTNXUDM-INIZCTEOSA-N -1 3 398.228 3.219 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2cnc(C)s2)CCC(c2ccccc2)CC1 ZINC000561552488 566720128 /nfs/dbraw/zinc/72/01/28/566720128.db2.gz SPCIUVAFSYSWGW-UHFFFAOYSA-N -1 3 380.535 3.473 20 0 GGADHM COc1cc(Br)c(CNCCc2ccccc2C(=O)[O-])c(OC)c1 ZINC000426642628 566721416 /nfs/dbraw/zinc/72/14/16/566721416.db2.gz KEBRSWUXBFIXRO-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM O=C(NC[C@H]1CCC(F)(F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000515586330 566721994 /nfs/dbraw/zinc/72/19/94/566721994.db2.gz UPBKMXKHMFHTKX-VIFPVBQESA-N -1 3 385.208 3.456 20 0 GGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541370717 566721881 /nfs/dbraw/zinc/72/18/81/566721881.db2.gz IIBSNVNUCPUQKU-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]Cc1nccc(C(F)F)n1)c1ccc(C(F)(F)F)cc1F ZINC000561562889 566722140 /nfs/dbraw/zinc/72/21/40/566722140.db2.gz NZHZUIZWFMZYMX-UHFFFAOYSA-N -1 3 385.289 3.051 20 0 GGADHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000541387128 566723062 /nfs/dbraw/zinc/72/30/62/566723062.db2.gz VWUVEVRUMQTMKZ-IUCAKERBSA-N -1 3 387.807 3.225 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCC[C@@H]1CF ZINC000561610433 566723724 /nfs/dbraw/zinc/72/37/24/566723724.db2.gz KNBXZVDFXDCDIQ-CQSZACIVSA-N -1 3 388.530 3.323 20 0 GGADHM O=C(Nc1nc2cccnc2[nH]1)c1n[n-]c(-c2ccccc2)c1Br ZINC000426671012 566724035 /nfs/dbraw/zinc/72/40/35/566724035.db2.gz UGFRNPMSECRKFJ-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM Cc1nc(CCCNCc2nc3cc(Cl)ccc3n2C)sc1C(=O)[O-] ZINC000426671184 566724260 /nfs/dbraw/zinc/72/42/60/566724260.db2.gz KYPDQPRRCBZBEB-UHFFFAOYSA-N -1 3 378.885 3.412 20 0 GGADHM O=C([O-])c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000426707764 566724348 /nfs/dbraw/zinc/72/43/48/566724348.db2.gz CQEBDZSJTYMEMJ-UHFFFAOYSA-N -1 3 378.222 3.208 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C(=O)[O-])n1 ZINC000426721583 566725172 /nfs/dbraw/zinc/72/51/72/566725172.db2.gz CEQKTBGAXXREHS-CQSZACIVSA-N -1 3 375.778 3.415 20 0 GGADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000426735598 566725296 /nfs/dbraw/zinc/72/52/96/566725296.db2.gz UPZMGTNWTBCTJA-WCQYABFASA-N -1 3 392.091 3.340 20 0 GGADHM COc1c(Br)cccc1CN[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000426719623 566725537 /nfs/dbraw/zinc/72/55/37/566725537.db2.gz IFFKBKFGJLJLAG-HNNXBMFYSA-N -1 3 382.229 3.382 20 0 GGADHM CSc1cc(Br)ccc1CN[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000426719952 566725574 /nfs/dbraw/zinc/72/55/74/566725574.db2.gz KAGYUCXAWCWHBG-AWEZNQCLSA-N -1 3 398.326 3.227 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)cn1)C1CC1 ZINC000450965904 566725841 /nfs/dbraw/zinc/72/58/41/566725841.db2.gz FHABIHFDUGTFEN-UHFFFAOYSA-N -1 3 383.832 3.165 20 0 GGADHM Cc1ncc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(=O)[n-]1 ZINC000541456368 566726258 /nfs/dbraw/zinc/72/62/58/566726258.db2.gz GHQDAHWSXIOKNV-UHFFFAOYSA-N -1 3 376.627 3.146 20 0 GGADHM CC[C@H](Cc1ccccc1Br)C(=O)NCc1cnc(C)[n-]c1=O ZINC000541456846 566726454 /nfs/dbraw/zinc/72/64/54/566726454.db2.gz SWEBHDRYGNZPAU-GFCCVEGCSA-N -1 3 378.270 3.138 20 0 GGADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1cccc(F)c1 ZINC000426762659 566726852 /nfs/dbraw/zinc/72/68/52/566726852.db2.gz MFNYZYMOZLXJGS-OAHLLOKOSA-N -1 3 396.212 3.275 20 0 GGADHM COc1ccc(Br)c(CN[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426751300 566726946 /nfs/dbraw/zinc/72/69/46/566726946.db2.gz UWCMYUVHSXCONG-MRXNPFEDSA-N -1 3 382.229 3.382 20 0 GGADHM Cc1cccc([C@H]2CCN(C(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)C2)c1 ZINC000541482512 566727184 /nfs/dbraw/zinc/72/71/84/566727184.db2.gz LNYNPFWHZDJLOV-AWEZNQCLSA-N -1 3 398.937 3.004 20 0 GGADHM COc1cc(Br)ccc1CN[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000426747309 566727516 /nfs/dbraw/zinc/72/75/16/566727516.db2.gz OHLQDDQRBFYZLX-HNNXBMFYSA-N -1 3 382.229 3.382 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)[n-]1 ZINC000630432293 566729052 /nfs/dbraw/zinc/72/90/52/566729052.db2.gz LQCAHWGPOOKTCK-UHFFFAOYSA-N -1 3 376.265 3.252 20 0 GGADHM CC(C)c1c[n-]c(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000630432293 566729062 /nfs/dbraw/zinc/72/90/62/566729062.db2.gz LQCAHWGPOOKTCK-UHFFFAOYSA-N -1 3 376.265 3.252 20 0 GGADHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000677168048 566729212 /nfs/dbraw/zinc/72/92/12/566729212.db2.gz WHJRGDVRPAVDGZ-INIZCTEOSA-N -1 3 395.297 3.064 20 0 GGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450984053 566729268 /nfs/dbraw/zinc/72/92/68/566729268.db2.gz BQEPSHKOMBWHSN-UHFFFAOYSA-N -1 3 398.204 3.499 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1cc(F)ccc1Br ZINC000426769410 566729368 /nfs/dbraw/zinc/72/93/68/566729368.db2.gz IQAIIZIAOLBIDE-AWEZNQCLSA-N -1 3 396.212 3.102 20 0 GGADHM Cc1ccc([O-])c(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)n1 ZINC000541515065 566729570 /nfs/dbraw/zinc/72/95/70/566729570.db2.gz RTRLFYWODAAMEU-QHCPKHFHSA-N -1 3 397.294 3.385 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1ccc(F)cc1Br ZINC000426776045 566729584 /nfs/dbraw/zinc/72/95/84/566729584.db2.gz FCWZCKCZPMVQPH-AWEZNQCLSA-N -1 3 396.212 3.102 20 0 GGADHM CC(=O)c1ccc(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(Cl)c1 ZINC000468786644 566730087 /nfs/dbraw/zinc/73/00/87/566730087.db2.gz BZIMAUDDWHYMAH-UHFFFAOYSA-N -1 3 381.837 3.176 20 0 GGADHM Cc1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc(C)c1Br ZINC000515740658 566730373 /nfs/dbraw/zinc/73/03/73/566730373.db2.gz ZJXKRTQYUFFYMU-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM Cc1cc(Cl)c(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1C ZINC000580877489 566731697 /nfs/dbraw/zinc/73/16/97/566731697.db2.gz IJDQAOFXXXZCPI-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468796134 566731753 /nfs/dbraw/zinc/73/17/53/566731753.db2.gz BNRDVHNXLXZILH-KRWDZBQOSA-N -1 3 375.918 3.348 20 0 GGADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000541538060 566731793 /nfs/dbraw/zinc/73/17/93/566731793.db2.gz MBNAHAWQUGWBSR-VXGBXAGGSA-N -1 3 394.306 3.460 20 0 GGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)n1 ZINC000541533931 566731892 /nfs/dbraw/zinc/73/18/92/566731892.db2.gz KXWGHKXQFFTJJW-NSHDSACASA-N -1 3 380.231 3.394 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1c1cccc(Cl)c1 ZINC000561722535 566732085 /nfs/dbraw/zinc/73/20/85/566732085.db2.gz OPXKQPORRCCVQV-INIZCTEOSA-N -1 3 399.299 3.218 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1ccsc1Br ZINC000630454603 566732210 /nfs/dbraw/zinc/73/22/10/566732210.db2.gz FMHCNNXCIDDXMZ-NSHDSACASA-N -1 3 384.251 3.025 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2cccc(Br)c2Cl)C(=O)[O-])n1 ZINC000630454879 566732320 /nfs/dbraw/zinc/73/23/20/566732320.db2.gz YHMCCGNNXNLOAW-ZDUSSCGKSA-N -1 3 386.677 3.159 20 0 GGADHM CCN1CCN(Cc2ccc([N-]S(=O)(=O)c3sccc3Cl)cc2)CC1 ZINC000450995028 566732688 /nfs/dbraw/zinc/73/26/88/566732688.db2.gz SDYSSMPNTJRGQQ-UHFFFAOYSA-N -1 3 399.969 3.340 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1cccs1 ZINC000426814642 566732780 /nfs/dbraw/zinc/73/27/80/566732780.db2.gz ABNHBCMPIDTMHM-ZDUSSCGKSA-N -1 3 384.251 3.197 20 0 GGADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1 ZINC000450995327 566732826 /nfs/dbraw/zinc/73/28/26/566732826.db2.gz FIVWVLAZGHAWNX-OAHLLOKOSA-N -1 3 378.416 3.290 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(C)C)s1 ZINC000515760863 566733076 /nfs/dbraw/zinc/73/30/76/566733076.db2.gz QAGXUWSWDRQKRZ-GFCCVEGCSA-N -1 3 383.491 3.361 20 0 GGADHM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000677239676 566733090 /nfs/dbraw/zinc/73/30/90/566733090.db2.gz YACDXXGUPGGICZ-UHFFFAOYSA-N -1 3 394.802 3.292 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1cncc(Cl)c1 ZINC000677239383 566733241 /nfs/dbraw/zinc/73/32/41/566733241.db2.gz SNEGFAMCXZVBOZ-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)n1 ZINC000541555702 566733200 /nfs/dbraw/zinc/73/32/00/566733200.db2.gz HPGSBAWZZYJXEG-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cncc(Cl)c2)CCOCC1 ZINC000677239531 566733356 /nfs/dbraw/zinc/73/33/56/566733356.db2.gz VWSXJYANIJKHAY-UHFFFAOYSA-N -1 3 380.897 3.070 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(Br)o1 ZINC000426817314 566733468 /nfs/dbraw/zinc/73/34/68/566733468.db2.gz BOZYRDBBYGJHMS-GFCCVEGCSA-N -1 3 390.180 3.429 20 0 GGADHM Cc1ccc(C[C@H](CNCc2cc(C)c(Br)cn2)C(=O)[O-])cc1 ZINC000630450939 566733665 /nfs/dbraw/zinc/73/36/65/566733665.db2.gz GPZKVAHHMNPTPS-OAHLLOKOSA-N -1 3 377.282 3.494 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(F)cc1Br ZINC000630456181 566733676 /nfs/dbraw/zinc/73/36/76/566733676.db2.gz JYGVHVDPUJWUPU-OTYXRUKQSA-N -1 3 392.265 3.343 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1cccc(Cl)c1 ZINC000515819127 566733905 /nfs/dbraw/zinc/73/39/05/566733905.db2.gz DNIZOIZTMYMRLY-HNNXBMFYSA-N -1 3 385.869 3.023 20 0 GGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(C)C ZINC000451010380 566734386 /nfs/dbraw/zinc/73/43/86/566734386.db2.gz PCNQZKUZSMHIFE-HNNXBMFYSA-N -1 3 382.869 3.197 20 0 GGADHM O=C([O-])[C@H](NCc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000630466785 566734437 /nfs/dbraw/zinc/73/44/37/566734437.db2.gz AAJUFGLSWQHJCA-NWDGAFQWSA-N -1 3 382.176 3.190 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1cccc(Cl)c1 ZINC000515819128 566734354 /nfs/dbraw/zinc/73/43/54/566734354.db2.gz DNIZOIZTMYMRLY-OAHLLOKOSA-N -1 3 385.869 3.023 20 0 GGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000451010381 566734516 /nfs/dbraw/zinc/73/45/16/566734516.db2.gz PCNQZKUZSMHIFE-OAHLLOKOSA-N -1 3 382.869 3.197 20 0 GGADHM COc1cc(CNCCc2cccc(C(=O)[O-])n2)c(F)cc1Br ZINC000630459664 566735111 /nfs/dbraw/zinc/73/51/11/566735111.db2.gz DLBBABHQMSYPBZ-UHFFFAOYSA-N -1 3 383.217 3.022 20 0 GGADHM COc1cccc(C[C@@H](CNCc2cc(C)c(Br)cn2)C(=O)[O-])c1 ZINC000630462873 566735206 /nfs/dbraw/zinc/73/52/06/566735206.db2.gz YUQMMLRQLSTMTL-AWEZNQCLSA-N -1 3 393.281 3.194 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1ccc(C)c(C)c1 ZINC000468833243 566735535 /nfs/dbraw/zinc/73/55/35/566735535.db2.gz FSGLQESRPJQARB-KRWDZBQOSA-N -1 3 379.503 3.218 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000468845474 566737337 /nfs/dbraw/zinc/73/73/37/566737337.db2.gz FYCVCDZJAPSSOJ-NXEZZACHSA-N -1 3 389.823 3.373 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000451032959 566738748 /nfs/dbraw/zinc/73/87/48/566738748.db2.gz RLTDNVWTYHHLKH-CABZTGNLSA-N -1 3 387.445 3.229 20 0 GGADHM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3Cl)cc21 ZINC000561772466 566738765 /nfs/dbraw/zinc/73/87/65/566738765.db2.gz RJLSLDSONJNHLS-UHFFFAOYSA-N -1 3 386.807 3.364 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)[C@@H]1CCCO1 ZINC000677315261 566739484 /nfs/dbraw/zinc/73/94/84/566739484.db2.gz KEAKTFAGNUDSEN-OLZOCXBDSA-N -1 3 392.315 3.084 20 0 GGADHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468873819 566740076 /nfs/dbraw/zinc/74/00/76/566740076.db2.gz GEROTIFIYXIEPL-HNNXBMFYSA-N -1 3 375.918 3.204 20 0 GGADHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000677318001 566740121 /nfs/dbraw/zinc/74/01/21/566740121.db2.gz PNDODBSPOHGJEM-LBPRGKRZSA-N -1 3 381.325 3.049 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OCC1CCC1 ZINC000468882002 566740223 /nfs/dbraw/zinc/74/02/23/566740223.db2.gz GJCUXCLBQXFQSQ-HNNXBMFYSA-N -1 3 384.929 3.034 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000468876214 566740365 /nfs/dbraw/zinc/74/03/65/566740365.db2.gz GSJIXMBTWMVOIV-CYBMUJFWSA-N -1 3 393.933 3.095 20 0 GGADHM COc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000488687277 566741027 /nfs/dbraw/zinc/74/10/27/566741027.db2.gz QALCHXAUAQQQAE-UHFFFAOYSA-N -1 3 380.238 3.167 20 0 GGADHM Cc1nc(-c2cccc(C(=O)NCc3ccc([O-])c(Br)c3)c2)n[nH]1 ZINC000488683372 566741370 /nfs/dbraw/zinc/74/13/70/566741370.db2.gz FQTXEDBUAOHLMH-UHFFFAOYSA-N -1 3 387.237 3.178 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(C(F)(F)F)cn1 ZINC000488688567 566741714 /nfs/dbraw/zinc/74/17/14/566741714.db2.gz UBDFRBQJMUVNOI-UHFFFAOYSA-N -1 3 375.144 3.499 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000608896850 566742104 /nfs/dbraw/zinc/74/21/04/566742104.db2.gz BRHGCPHLWBNYKN-SSDOTTSWSA-N -1 3 390.248 3.428 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CCSCc2cccc3ccccc32)cn1C ZINC000608913323 566742164 /nfs/dbraw/zinc/74/21/64/566742164.db2.gz WNUIBTPNXXDMDO-UHFFFAOYSA-N -1 3 375.519 3.093 20 0 GGADHM CCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H](C)c1ccc(F)cc1 ZINC000488723058 566743026 /nfs/dbraw/zinc/74/30/26/566743026.db2.gz HGBGQPQKWFKXKT-CYBMUJFWSA-N -1 3 384.498 3.165 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1sccc1Cl ZINC000451049710 566743820 /nfs/dbraw/zinc/74/38/20/566743820.db2.gz NTTZWHUWPIKYCX-UHFFFAOYSA-N -1 3 380.988 3.041 20 0 GGADHM Cc1cc(C)c(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000630624453 566744078 /nfs/dbraw/zinc/74/40/78/566744078.db2.gz NFMVXDSYKTUANM-UHFFFAOYSA-N -1 3 384.548 3.010 20 0 GGADHM C[C@H](C1CC1)N(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000630641633 566744194 /nfs/dbraw/zinc/74/41/94/566744194.db2.gz XJQUDPCMFCLZFV-LLVKDONJSA-N -1 3 384.548 3.159 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2Cl)s1 ZINC000488726104 566744215 /nfs/dbraw/zinc/74/42/15/566744215.db2.gz NFUYZCUWSBCQML-UHFFFAOYSA-N -1 3 387.910 3.488 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000541736336 566744426 /nfs/dbraw/zinc/74/44/26/566744426.db2.gz RPAOHALURDOPRC-KBPBESRZSA-N -1 3 378.519 3.345 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)c1 ZINC000608981705 566744796 /nfs/dbraw/zinc/74/47/96/566744796.db2.gz OOHIONVNZOWJDA-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2nc(CC(F)(F)F)cs2)cc1 ZINC000451059396 566745599 /nfs/dbraw/zinc/74/55/99/566745599.db2.gz UVHOQMGGGRSPJE-UHFFFAOYSA-N -1 3 379.429 3.110 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000468941500 566745806 /nfs/dbraw/zinc/74/58/06/566745806.db2.gz MAQCXXKZDGZEMZ-CYBMUJFWSA-N -1 3 398.893 3.459 20 0 GGADHM COC(=O)c1sc2[n-]c(CSC3(CO)CCCCC3)nc(=O)c2c1C ZINC000451056301 566745861 /nfs/dbraw/zinc/74/58/61/566745861.db2.gz GNYHYWWQURGQDP-UHFFFAOYSA-N -1 3 382.507 3.008 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c(F)cc1F ZINC000541762614 566746278 /nfs/dbraw/zinc/74/62/78/566746278.db2.gz GOXCUPDGFTTWHU-ZDUSSCGKSA-N -1 3 379.787 3.078 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)C ZINC000561887283 566746642 /nfs/dbraw/zinc/74/66/42/566746642.db2.gz IJMWVIWJWWYBSX-DZGCQCFKSA-N -1 3 381.416 3.187 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000427096414 566747004 /nfs/dbraw/zinc/74/70/04/566747004.db2.gz HCXFIUGOFUCHHP-HOCLYGCPSA-N -1 3 384.567 3.376 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000451063651 566747341 /nfs/dbraw/zinc/74/73/41/566747341.db2.gz QANPAFVKYJSYIA-LBPRGKRZSA-N -1 3 378.397 3.236 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1OCC1CCC1 ZINC000468959213 566747557 /nfs/dbraw/zinc/74/75/57/566747557.db2.gz MFOSKCWIKAZMHS-GDBMZVCRSA-N -1 3 387.929 3.348 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Br)cc2)CCCCC1 ZINC000427108904 566748255 /nfs/dbraw/zinc/74/82/55/566748255.db2.gz PCMZMJOQKLTEFZ-UHFFFAOYSA-N -1 3 390.299 3.314 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000451070836 566748363 /nfs/dbraw/zinc/74/83/63/566748363.db2.gz ZABDLEFTSTVIQW-LBPRGKRZSA-N -1 3 380.413 3.180 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2Cl)c1 ZINC000609076252 566748928 /nfs/dbraw/zinc/74/89/28/566748928.db2.gz RQPORUZGBHYQBA-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000451068917 566749172 /nfs/dbraw/zinc/74/91/72/566749172.db2.gz RIVBSWVWHGQZEM-GFCCVEGCSA-N -1 3 379.507 3.380 20 0 GGADHM C[C@@H]1CCCCN1CCNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000541799882 566749482 /nfs/dbraw/zinc/74/94/82/566749482.db2.gz SCUXYJCUDJUIAA-GFCCVEGCSA-N -1 3 379.917 3.276 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000516173497 566749863 /nfs/dbraw/zinc/74/98/63/566749863.db2.gz PHAXLUNBVVSAKK-GMTAPVOTSA-N -1 3 386.876 3.295 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)cc2)s1 ZINC000516174298 566749900 /nfs/dbraw/zinc/74/99/00/566749900.db2.gz AWCGUFLGTIDEAX-GFCCVEGCSA-N -1 3 383.491 3.361 20 0 GGADHM CCN=c1[n-]c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cs1 ZINC000468979172 566750340 /nfs/dbraw/zinc/75/03/40/566750340.db2.gz JZEFHHMMYDCNEM-UHFFFAOYSA-N -1 3 379.283 3.171 20 0 GGADHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1ccccc1F ZINC000609122199 566750682 /nfs/dbraw/zinc/75/06/82/566750682.db2.gz XLLSYEIXROBTSM-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCSc1ccc(Br)cc1 ZINC000427137261 566750542 /nfs/dbraw/zinc/75/05/42/566750542.db2.gz RTLQXTJUZSUWMT-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)C(F)F ZINC000451081402 566751003 /nfs/dbraw/zinc/75/10/03/566751003.db2.gz LXWOHHIPUOHFHW-SNVBAGLBSA-N -1 3 399.257 3.038 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)c2nccs2)s1 ZINC000541812280 566751241 /nfs/dbraw/zinc/75/12/41/566751241.db2.gz YLXKXKOQZAYHRE-ZETCQYMHSA-N -1 3 381.342 3.358 20 0 GGADHM COCC1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000516194723 566752106 /nfs/dbraw/zinc/75/21/06/566752106.db2.gz TYSIFYJNFGWCHJ-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM Cn1nccc1S(=O)(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000541827023 566752759 /nfs/dbraw/zinc/75/27/59/566752759.db2.gz MBMAZKNPIFGOGK-NSHDSACASA-N -1 3 387.305 3.021 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(Cl)c(Br)c1 ZINC000427171319 566753014 /nfs/dbraw/zinc/75/30/14/566753014.db2.gz MHJPXAUIGHMLGX-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000488850531 566752905 /nfs/dbraw/zinc/75/29/05/566752905.db2.gz GQXXFTMHUVPFEF-UHFFFAOYSA-N -1 3 376.375 3.259 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1cc(C(F)(F)F)ccc1F ZINC000488857103 566752934 /nfs/dbraw/zinc/75/29/34/566752934.db2.gz LQFSIYDLTDAEET-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM CCC[C@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000541826836 566753081 /nfs/dbraw/zinc/75/30/81/566753081.db2.gz FRIHEROXDMKVQL-LBPRGKRZSA-N -1 3 393.962 3.044 20 0 GGADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1cc(C(F)(F)F)ccc1F ZINC000488864659 566753810 /nfs/dbraw/zinc/75/38/10/566753810.db2.gz XZFYPCUVMIIYBI-LBPRGKRZSA-N -1 3 375.343 3.127 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000541831507 566753989 /nfs/dbraw/zinc/75/39/89/566753989.db2.gz QKJNYTHDGIMIGE-UHFFFAOYSA-N -1 3 388.272 3.415 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488861678 566754564 /nfs/dbraw/zinc/75/45/64/566754564.db2.gz RPVZUMJJAZOCDI-UHFFFAOYSA-N -1 3 378.347 3.117 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccs1 ZINC000562009960 566755493 /nfs/dbraw/zinc/75/54/93/566755493.db2.gz VHUUAHSHPIKTOW-GFCCVEGCSA-N -1 3 394.312 3.142 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000451096078 566755964 /nfs/dbraw/zinc/75/59/64/566755964.db2.gz VZDBXEPDIIRQRH-UHFFFAOYSA-N -1 3 386.489 3.278 20 0 GGADHM COCc1ccccc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488884642 566755988 /nfs/dbraw/zinc/75/59/88/566755988.db2.gz KGFRTUFOXADFEJ-UHFFFAOYSA-N -1 3 377.359 3.469 20 0 GGADHM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469044641 566756258 /nfs/dbraw/zinc/75/62/58/566756258.db2.gz UQSVCOJYSRQRNT-ZDUSSCGKSA-N -1 3 383.901 3.082 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccco1 ZINC000488912368 566756882 /nfs/dbraw/zinc/75/68/82/566756882.db2.gz BDTPWBIUPPVYFY-LBPRGKRZSA-N -1 3 380.363 3.019 20 0 GGADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)Nc1ccc(Cl)cc1 ZINC000451103159 566758337 /nfs/dbraw/zinc/75/83/37/566758337.db2.gz GOJTVRUYTUKZPM-LLVKDONJSA-N -1 3 380.844 3.023 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCCCC1 ZINC000488947783 566758931 /nfs/dbraw/zinc/75/89/31/566758931.db2.gz SWEMRLCCEITVIX-UHFFFAOYSA-N -1 3 382.423 3.387 20 0 GGADHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000427245765 566759331 /nfs/dbraw/zinc/75/93/31/566759331.db2.gz JFIOGOUGGDTVPL-UHFFFAOYSA-N -1 3 385.791 3.123 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000427240872 566759512 /nfs/dbraw/zinc/75/95/12/566759512.db2.gz FMQPIPNOBREDQZ-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000562055139 566760549 /nfs/dbraw/zinc/76/05/49/566760549.db2.gz NLDMMKADJIHOMU-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]CCc2nc(-c3ccncc3)cs2)c1F ZINC000541935464 566760873 /nfs/dbraw/zinc/76/08/73/566760873.db2.gz QOAYFFWQONHKQT-UHFFFAOYSA-N -1 3 377.466 3.174 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)CCCCC1 ZINC000427259635 566761113 /nfs/dbraw/zinc/76/11/13/566761113.db2.gz HJDGLXICHMIXHF-UHFFFAOYSA-N -1 3 381.828 3.483 20 0 GGADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000562069528 566761870 /nfs/dbraw/zinc/76/18/70/566761870.db2.gz VZBVTWCMAROQJH-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000562076142 566761970 /nfs/dbraw/zinc/76/19/70/566761970.db2.gz BDOIGMPEDJQGCB-ZIAGYGMSSA-N -1 3 383.844 3.315 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(C)C)c(Br)c1 ZINC000427263513 566762666 /nfs/dbraw/zinc/76/26/66/566762666.db2.gz UXNGGHIHAGIYEN-CYBMUJFWSA-N -1 3 390.299 3.093 20 0 GGADHM CCN(CC)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000489010374 566763422 /nfs/dbraw/zinc/76/34/22/566763422.db2.gz JPXORRZKHONVLF-AWEZNQCLSA-N -1 3 376.906 3.286 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000489022013 566763682 /nfs/dbraw/zinc/76/36/82/566763682.db2.gz ZOWSNMYFUWITQL-UHFFFAOYSA-N -1 3 384.816 3.173 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000427284490 566764582 /nfs/dbraw/zinc/76/45/82/566764582.db2.gz NBMCHEFYCGALRI-CHWSQXEVSA-N -1 3 379.345 3.187 20 0 GGADHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469135060 566764748 /nfs/dbraw/zinc/76/47/48/566764748.db2.gz SDWPHNLHUVZSMU-CYBMUJFWSA-N -1 3 375.918 3.206 20 0 GGADHM COc1ccccc1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489025899 566765428 /nfs/dbraw/zinc/76/54/28/566765428.db2.gz XVWKPNZOFKRWKX-UHFFFAOYSA-N -1 3 379.331 3.211 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1)c1cccc(OC(F)(F)F)c1F ZINC000489064452 566767284 /nfs/dbraw/zinc/76/72/84/566767284.db2.gz CCAPZHBLSKPQGX-UHFFFAOYSA-N -1 3 379.331 3.082 20 0 GGADHM CCOC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469169237 566767806 /nfs/dbraw/zinc/76/78/06/566767806.db2.gz LUDNCCCRXGHKHS-UHFFFAOYSA-N -1 3 389.901 3.141 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2Br)cnc1C ZINC000427346128 566767915 /nfs/dbraw/zinc/76/79/15/566767915.db2.gz SOUUAFBUWOIVES-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM Cc1sc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1CS(C)(=O)=O ZINC000469175389 566768976 /nfs/dbraw/zinc/76/89/76/566768976.db2.gz DPJYREOXCDQVHW-LLVKDONJSA-N -1 3 379.503 3.461 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Br)c(Cl)c1 ZINC000516558634 566769463 /nfs/dbraw/zinc/76/94/63/566769463.db2.gz ASCBRSKYHZMXSL-UHFFFAOYSA-N -1 3 391.674 3.037 20 0 GGADHM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469194361 566770180 /nfs/dbraw/zinc/77/01/80/566770180.db2.gz JMUBBPZDAYHSSB-QZTJIDSGSA-N -1 3 387.929 3.348 20 0 GGADHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469197512 566770598 /nfs/dbraw/zinc/77/05/98/566770598.db2.gz AZADXOMRVDYEKM-IUODEOHRSA-N -1 3 375.918 3.204 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(C=Cc2ccco2)s1 ZINC000677942560 566770871 /nfs/dbraw/zinc/77/08/71/566770871.db2.gz PJBVXRQGSWBJRS-WAYWQWQTSA-N -1 3 375.435 3.080 20 0 GGADHM Fc1cncc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)c1 ZINC000581384797 566771434 /nfs/dbraw/zinc/77/14/34/566771434.db2.gz NFSUVRWSWDJMOZ-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM Fc1cncc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)c1 ZINC000581384797 566771436 /nfs/dbraw/zinc/77/14/36/566771436.db2.gz NFSUVRWSWDJMOZ-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM Fc1cncc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000581384797 566771441 /nfs/dbraw/zinc/77/14/41/566771441.db2.gz NFSUVRWSWDJMOZ-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM O=C(NC[C@@H](CO)Cc1ccccc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427461530 566773909 /nfs/dbraw/zinc/77/39/09/566773909.db2.gz ASNKDIIGHQSDFN-ZDUSSCGKSA-N -1 3 375.881 3.373 20 0 GGADHM COc1ccc(CN(CCO)c2ccccc2OC)c(Br)c1[O-] ZINC000581397399 566774035 /nfs/dbraw/zinc/77/40/35/566774035.db2.gz UGKWEDWTOHOZLU-UHFFFAOYSA-N -1 3 382.254 3.171 20 0 GGADHM CO[C@@H](C)CN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000516672315 566776955 /nfs/dbraw/zinc/77/69/55/566776955.db2.gz LWYJGLMNFIELQS-QMMMGPOBSA-N -1 3 387.661 3.051 20 0 GGADHM CO[C@@H](C)CN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000516672315 566776961 /nfs/dbraw/zinc/77/69/61/566776961.db2.gz LWYJGLMNFIELQS-QMMMGPOBSA-N -1 3 387.661 3.051 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cs1 ZINC000489245893 566777422 /nfs/dbraw/zinc/77/74/22/566777422.db2.gz HVXBYGXWYRZIOZ-UHFFFAOYSA-N -1 3 398.403 3.264 20 0 GGADHM C[C@H](CNC(=O)N=c1cc2ccccn2[n-]1)Oc1ccccc1Br ZINC000562296697 566778660 /nfs/dbraw/zinc/77/86/60/566778660.db2.gz WMDQFYSTRRRNRN-GFCCVEGCSA-N -1 3 389.253 3.108 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)OC ZINC000542175162 566779565 /nfs/dbraw/zinc/77/95/65/566779565.db2.gz KXMQZWRLKMJQBT-CYBMUJFWSA-N -1 3 398.706 3.113 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1C[C@@H](C)O[C@H](C)C1 ZINC000678072425 566779803 /nfs/dbraw/zinc/77/98/03/566779803.db2.gz OUIQUQLEJOGZPR-GHMZBOCLSA-N -1 3 392.315 3.082 20 0 GGADHM CC(C)CC[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489311003 566779812 /nfs/dbraw/zinc/77/98/12/566779812.db2.gz COJHDMLFNRRSBE-LBPRGKRZSA-N -1 3 378.947 3.107 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1C[C@H](C)O[C@@H](C)C1 ZINC000678072427 566780004 /nfs/dbraw/zinc/78/00/04/566780004.db2.gz OUIQUQLEJOGZPR-QWRGUYRKSA-N -1 3 392.315 3.082 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCC(C)C ZINC000469300724 566780418 /nfs/dbraw/zinc/78/04/18/566780418.db2.gz COTMBGHPWYZRHN-ZDUSSCGKSA-N -1 3 395.974 3.421 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1C1CC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000469300926 566780850 /nfs/dbraw/zinc/78/08/50/566780850.db2.gz CWMRJBPWAOJVSL-CRAIPNDOSA-N -1 3 385.913 3.365 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C ZINC000469310605 566780857 /nfs/dbraw/zinc/78/08/57/566780857.db2.gz VSPJKXRYOGTGNU-BLLLJJGKSA-N -1 3 393.933 3.093 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1ccc(Cl)cc1Br ZINC000542176353 566781017 /nfs/dbraw/zinc/78/10/17/566781017.db2.gz UOVMQJXZGADSRO-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000451243328 566781397 /nfs/dbraw/zinc/78/13/97/566781397.db2.gz KYDLUWXMYVNAHE-CQSZACIVSA-N -1 3 393.256 3.231 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C ZINC000609730585 566781646 /nfs/dbraw/zinc/78/16/46/566781646.db2.gz WGIWOYKWZPQDEF-DEOSSOPVSA-N -1 3 381.519 3.381 20 0 GGADHM Brc1ccc2c(c1)[C@@H](c1nc(-c3ccc4n[n-]nc4c3)no1)CO2 ZINC000562322020 566782046 /nfs/dbraw/zinc/78/20/46/566782046.db2.gz QPQZOUVPCANTAH-NSHDSACASA-N -1 3 384.193 3.295 20 0 GGADHM Cc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1OC(C)C ZINC000427614352 566782608 /nfs/dbraw/zinc/78/26/08/566782608.db2.gz HUINKESGYKNHCD-CYBMUJFWSA-N -1 3 382.507 3.149 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000489347390 566783099 /nfs/dbraw/zinc/78/30/99/566783099.db2.gz YKJVWEDXKIYTIU-GDBMZVCRSA-N -1 3 384.567 3.376 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000451266730 566784642 /nfs/dbraw/zinc/78/46/42/566784642.db2.gz ZPQJTUDDUZUZCO-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(OC)n1 ZINC000581517525 566784579 /nfs/dbraw/zinc/78/45/79/566784579.db2.gz KBZGDIFLNLZQMZ-UHFFFAOYSA-N -1 3 395.239 3.023 20 0 GGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469360384 566784820 /nfs/dbraw/zinc/78/48/20/566784820.db2.gz IKFCBVXLYMGCSB-WCQYABFASA-N -1 3 381.947 3.174 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)cc1Cl ZINC000581520761 566785310 /nfs/dbraw/zinc/78/53/10/566785310.db2.gz OKJJVWLNQMYXHE-UHFFFAOYSA-N -1 3 393.646 3.013 20 0 GGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451264207 566785348 /nfs/dbraw/zinc/78/53/48/566785348.db2.gz JAZDSLFRNSGHBF-GFCCVEGCSA-N -1 3 387.860 3.375 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000451266237 566785628 /nfs/dbraw/zinc/78/56/28/566785628.db2.gz YPNRUCWJUDHHMW-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000469366022 566785880 /nfs/dbraw/zinc/78/58/80/566785880.db2.gz WWHJDPUJYYJZPZ-UHFFFAOYSA-N -1 3 391.823 3.122 20 0 GGADHM O=C(CNC(=O)c1ccccc1)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427668210 566786448 /nfs/dbraw/zinc/78/64/48/566786448.db2.gz KVCILDBIJDBWOX-UHFFFAOYSA-N -1 3 390.193 3.066 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000562387451 566787141 /nfs/dbraw/zinc/78/71/41/566787141.db2.gz HVPRIDXZNRDHQS-CQSZACIVSA-N -1 3 383.286 3.255 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C ZINC000542241818 566787137 /nfs/dbraw/zinc/78/71/37/566787137.db2.gz CFPMZXIEVIIMRI-CYBMUJFWSA-N -1 3 379.931 3.183 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000542239686 566787392 /nfs/dbraw/zinc/78/73/92/566787392.db2.gz DMWXEGLIFROVHU-QWRGUYRKSA-N -1 3 380.279 3.072 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C ZINC000542241826 566787529 /nfs/dbraw/zinc/78/75/29/566787529.db2.gz CFPMZXIEVIIMRI-ZDUSSCGKSA-N -1 3 379.931 3.183 20 0 GGADHM CC[C@H](C(=O)[N-]c1cc(-c2ccc(Br)o2)no1)N1CCCC1=O ZINC000427682055 566788040 /nfs/dbraw/zinc/78/80/40/566788040.db2.gz ZHUMUQDQXLRLRG-SNVBAGLBSA-N -1 3 382.214 3.037 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000489429750 566788512 /nfs/dbraw/zinc/78/85/12/566788512.db2.gz FECJNKLRIFWQLD-UHFFFAOYSA-N -1 3 384.376 3.394 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469417227 566788561 /nfs/dbraw/zinc/78/85/61/566788561.db2.gz ALKVOTQZHYJLLD-INIZCTEOSA-N -1 3 382.551 3.192 20 0 GGADHM CCCCC(=O)N1CSC[C@@H]1C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000581556601 566788753 /nfs/dbraw/zinc/78/87/53/566788753.db2.gz LXXZQTUULFNBLV-SNVBAGLBSA-N -1 3 379.404 3.286 20 0 GGADHM CC(C)CCC(=O)NCC(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427670275 566788941 /nfs/dbraw/zinc/78/89/41/566788941.db2.gz CPQNEBFTIDRJCV-UHFFFAOYSA-N -1 3 384.230 3.188 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCOc2ccc(Br)cc2C1 ZINC000581555136 566788946 /nfs/dbraw/zinc/78/89/46/566788946.db2.gz WJLFVMACZBQHKZ-UHFFFAOYSA-N -1 3 395.228 3.398 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1nc(C(F)(F)F)cs1 ZINC000516902562 566789702 /nfs/dbraw/zinc/78/97/02/566789702.db2.gz WXTZLHQQDSIINJ-LURJTMIESA-N -1 3 394.425 3.206 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(COc3ccccc3Cl)n2)cc1 ZINC000516898754 566790293 /nfs/dbraw/zinc/79/02/93/566790293.db2.gz FKXQJHRLCQBDGU-UHFFFAOYSA-N -1 3 379.825 3.341 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1nc(C(F)(F)F)cs1 ZINC000516902563 566790383 /nfs/dbraw/zinc/79/03/83/566790383.db2.gz WXTZLHQQDSIINJ-ZCFIWIBFSA-N -1 3 394.425 3.206 20 0 GGADHM Cc1nnc(N(C)C(=O)c2n[n-]c(-c3ccccc3)c2Br)s1 ZINC000427734005 566791177 /nfs/dbraw/zinc/79/11/77/566791177.db2.gz KBPYFDIDCFKWQL-UHFFFAOYSA-N -1 3 378.255 3.276 20 0 GGADHM Cc1nnc(N(C)C(=O)c2[n-]nc(-c3ccccc3)c2Br)s1 ZINC000427734005 566791185 /nfs/dbraw/zinc/79/11/85/566791185.db2.gz KBPYFDIDCFKWQL-UHFFFAOYSA-N -1 3 378.255 3.276 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451300398 566791960 /nfs/dbraw/zinc/79/19/60/566791960.db2.gz VIBILOZGIMQSBD-UHFFFAOYSA-N -1 3 379.869 3.480 20 0 GGADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451298992 566792098 /nfs/dbraw/zinc/79/20/98/566792098.db2.gz YDBYBFVURFSZNI-AWEZNQCLSA-N -1 3 386.880 3.149 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)s1 ZINC000542315242 566793326 /nfs/dbraw/zinc/79/33/26/566793326.db2.gz COBNYOWYAXFZNJ-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428399532 566839855 /nfs/dbraw/zinc/83/98/55/566839855.db2.gz HZROVYBZPVRFHP-NOZJJQNGSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)cn1 ZINC000542318554 566793738 /nfs/dbraw/zinc/79/37/38/566793738.db2.gz BCCBDYJMSZQHLY-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM CN(C)C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc2O1 ZINC000678318147 566795052 /nfs/dbraw/zinc/79/50/52/566795052.db2.gz ZWRJXGQJFAZDDZ-ZDUSSCGKSA-N -1 3 391.265 3.124 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCOCC1 ZINC000489552834 566795358 /nfs/dbraw/zinc/79/53/58/566795358.db2.gz QOGVMORRKNYJQS-NSHDSACASA-N -1 3 385.379 3.208 20 0 GGADHM CCc1cccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1[O-] ZINC000678325823 566795446 /nfs/dbraw/zinc/79/54/46/566795446.db2.gz YPTHJXWCLCPTNH-UHFFFAOYSA-N -1 3 396.256 3.491 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2cnccc2C)c1 ZINC000678357327 566796792 /nfs/dbraw/zinc/79/67/92/566796792.db2.gz IRTLBKQKHSSLMT-LLVKDONJSA-N -1 3 385.283 3.201 20 0 GGADHM Cc1c2cc(Br)ccc2oc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000542385315 566797349 /nfs/dbraw/zinc/79/73/49/566797349.db2.gz UGWXKBFPLQJJNL-UHFFFAOYSA-N -1 3 376.210 3.238 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1ccc([O-])c(Br)c1 ZINC000451331540 566797584 /nfs/dbraw/zinc/79/75/84/566797584.db2.gz OAQJPDDRFXBUEQ-LLVKDONJSA-N -1 3 398.269 3.400 20 0 GGADHM CCOCCCN(Cc1nc2cc(Br)ccc2[nH]1)C[C@H](C)C(=O)[O-] ZINC000581672060 566798206 /nfs/dbraw/zinc/79/82/06/566798206.db2.gz SDRFAEIMTSOLHS-LBPRGKRZSA-N -1 3 398.301 3.275 20 0 GGADHM CCOCCCN(Cc1nc2ccc(Br)cc2[nH]1)C[C@H](C)C(=O)[O-] ZINC000581672060 566798211 /nfs/dbraw/zinc/79/82/11/566798211.db2.gz SDRFAEIMTSOLHS-LBPRGKRZSA-N -1 3 398.301 3.275 20 0 GGADHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(I)cc1F ZINC000562515375 566798310 /nfs/dbraw/zinc/79/83/10/566798310.db2.gz FPDPPXKBOJKSNU-UHFFFAOYSA-N -1 3 389.193 3.412 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC(c2cccc(Br)c2)CC1 ZINC000655397786 566798732 /nfs/dbraw/zinc/79/87/32/566798732.db2.gz FRRLLFFAKZASCI-UHFFFAOYSA-N -1 3 375.266 3.498 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000610005811 566798809 /nfs/dbraw/zinc/79/88/09/566798809.db2.gz CSTWCGRFQIFGRA-LSDHHAIUSA-N -1 3 379.503 3.224 20 0 GGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489633959 566799392 /nfs/dbraw/zinc/79/93/92/566799392.db2.gz CHEQNZWRPQUYKT-WDEREUQCSA-N -1 3 385.379 3.208 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cl)c(Br)cc1F ZINC000562547192 566800844 /nfs/dbraw/zinc/80/08/44/566800844.db2.gz DOTHMHRRHWFRAF-LBPRGKRZSA-N -1 3 388.624 3.490 20 0 GGADHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000678448993 566801294 /nfs/dbraw/zinc/80/12/94/566801294.db2.gz GMGNLSYRDDTSDA-WBMJQRKESA-N -1 3 393.281 3.119 20 0 GGADHM CSc1cc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccn1 ZINC000489680020 566801819 /nfs/dbraw/zinc/80/18/19/566801819.db2.gz YXSIBMROGWAFGI-UHFFFAOYSA-N -1 3 396.387 3.320 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489680539 566802158 /nfs/dbraw/zinc/80/21/58/566802158.db2.gz SMTBMILUQVLLDT-PWSUYJOCSA-N -1 3 385.379 3.206 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489680538 566802267 /nfs/dbraw/zinc/80/22/67/566802267.db2.gz SMTBMILUQVLLDT-JQWIXIFHSA-N -1 3 385.379 3.206 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c(OC)cc1Br ZINC000581723564 566802320 /nfs/dbraw/zinc/80/23/20/566802320.db2.gz IVRDBYIYOMSRPO-NXEZZACHSA-N -1 3 396.278 3.025 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c1 ZINC000489674295 566802737 /nfs/dbraw/zinc/80/27/37/566802737.db2.gz FNDFIULLCDOWLY-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C=C[C@H]4CCOC4)n3)[n-]2)c1 ZINC000562563112 566802840 /nfs/dbraw/zinc/80/28/40/566802840.db2.gz IUHNBQKHGRUQKK-YEZKRMTDSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C=C[C@H]4CCOC4)n3)n2)c1 ZINC000562563112 566802842 /nfs/dbraw/zinc/80/28/42/566802842.db2.gz IUHNBQKHGRUQKK-YEZKRMTDSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C=C[C@H]4CCOC4)n3)n[n-]2)c1 ZINC000562563112 566802844 /nfs/dbraw/zinc/80/28/44/566802844.db2.gz IUHNBQKHGRUQKK-YEZKRMTDSA-N -1 3 388.225 3.334 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000517052581 566802928 /nfs/dbraw/zinc/80/29/28/566802928.db2.gz FJJGXPWCKULZOD-VFZGTOFNSA-N -1 3 386.242 3.389 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc3c(c2)CCC3)no1)c1ccc(Cl)s1 ZINC000562571207 566803006 /nfs/dbraw/zinc/80/30/06/566803006.db2.gz MQWATIITQVTKHV-UHFFFAOYSA-N -1 3 395.893 3.419 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)c1F ZINC000655477546 566803314 /nfs/dbraw/zinc/80/33/14/566803314.db2.gz QCINHTIDSRCTSX-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1cccc(Br)c1F ZINC000542463788 566803335 /nfs/dbraw/zinc/80/33/35/566803335.db2.gz PGPVPMFZBISXTG-NSHDSACASA-N -1 3 390.205 3.139 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000517052578 566803369 /nfs/dbraw/zinc/80/33/69/566803369.db2.gz FJJGXPWCKULZOD-BJOHPYRUSA-N -1 3 386.242 3.389 20 0 GGADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542465157 566803940 /nfs/dbraw/zinc/80/39/40/566803940.db2.gz WDADJZYELMQAKF-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cccc(Br)c3F)nc12 ZINC000542466941 566804107 /nfs/dbraw/zinc/80/41/07/566804107.db2.gz OPGBNHZQNQCJAO-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000581754328 566804927 /nfs/dbraw/zinc/80/49/27/566804927.db2.gz LONKFBRABPZZPR-IAGOWNOFSA-N -1 3 386.300 3.438 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1F ZINC000655500203 566805260 /nfs/dbraw/zinc/80/52/60/566805260.db2.gz VTBPYOCNCNGOJI-UHFFFAOYSA-N -1 3 384.498 3.081 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000581754329 566805232 /nfs/dbraw/zinc/80/52/32/566805232.db2.gz LONKFBRABPZZPR-IRXDYDNUSA-N -1 3 386.300 3.438 20 0 GGADHM C[C@H](Cc1cccs1)N(Cc1nc(=O)n(C)[n-]1)Cc1ccc(Cl)cc1 ZINC000542505933 566807213 /nfs/dbraw/zinc/80/72/13/566807213.db2.gz DUFGCFDNULTLAO-CYBMUJFWSA-N -1 3 376.913 3.457 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]Cc2nccn2CCCc2ccccc2)c1 ZINC000451381019 566808194 /nfs/dbraw/zinc/80/81/94/566808194.db2.gz FDSVFHHJTABCKM-UHFFFAOYSA-N -1 3 375.519 3.364 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)n1C ZINC000451388839 566809849 /nfs/dbraw/zinc/80/98/49/566809849.db2.gz MWVHIHRQQPLNHE-UHFFFAOYSA-N -1 3 384.914 3.285 20 0 GGADHM O=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000562659593 566810399 /nfs/dbraw/zinc/81/03/99/566810399.db2.gz RCCLEAIBCUWUCQ-UHFFFAOYSA-N -1 3 379.865 3.411 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CSc3ccc(Br)cc32)s1 ZINC000581859929 566810557 /nfs/dbraw/zinc/81/05/57/566810557.db2.gz ATBKESIZJYNFME-JTQLQIEISA-N -1 3 391.337 3.339 20 0 GGADHM CCOc1nc2cc(C(=O)N(C)Cc3cc(Br)cn3C)ccc2[n-]1 ZINC000469743605 566811110 /nfs/dbraw/zinc/81/11/10/566811110.db2.gz URPUTXQDPOLDIV-UHFFFAOYSA-N -1 3 391.269 3.335 20 0 GGADHM CCOc1nc2ccc(C(=O)N(C)Cc3cc(Br)cn3C)cc2[n-]1 ZINC000469743605 566811112 /nfs/dbraw/zinc/81/11/12/566811112.db2.gz URPUTXQDPOLDIV-UHFFFAOYSA-N -1 3 391.269 3.335 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC2(CCC2)O1 ZINC000581886702 566811246 /nfs/dbraw/zinc/81/12/46/566811246.db2.gz PAUQLHHVQIZWJF-LLVKDONJSA-N -1 3 391.265 3.074 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c1 ZINC000489801575 566811497 /nfs/dbraw/zinc/81/14/97/566811497.db2.gz PHFQKGDRZXYBDB-UHFFFAOYSA-N -1 3 391.823 3.471 20 0 GGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000489832790 566812907 /nfs/dbraw/zinc/81/29/07/566812907.db2.gz PCUHTDZZFIZIHK-SNVBAGLBSA-N -1 3 381.828 3.230 20 0 GGADHM O=C1NCCCN(Cc2cccc([O-])c2Br)[C@@H]1Cc1ccccc1 ZINC000562687229 566813489 /nfs/dbraw/zinc/81/34/89/566813489.db2.gz DIRJYMFMHPALSH-MRXNPFEDSA-N -1 3 389.293 3.088 20 0 GGADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1=O ZINC000517232578 566814536 /nfs/dbraw/zinc/81/45/36/566814536.db2.gz DDNFQUHSYCHOMB-NSHDSACASA-N -1 3 398.834 3.037 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccncc1F ZINC000489863389 566814653 /nfs/dbraw/zinc/81/46/53/566814653.db2.gz SKETWGNVZYOWBU-QMMMGPOBSA-N -1 3 382.310 3.298 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCCC1)c1ccc(OC)c(Cl)c1 ZINC000451420008 566815240 /nfs/dbraw/zinc/81/52/40/566815240.db2.gz PSEORNLORLGALR-INIZCTEOSA-N -1 3 389.901 3.062 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)c1nnc2n1CCC2 ZINC000562713829 566815595 /nfs/dbraw/zinc/81/55/95/566815595.db2.gz YWUZEXOEXWVBRE-VIFPVBQESA-N -1 3 382.898 3.132 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)c1F ZINC000655575521 566816017 /nfs/dbraw/zinc/81/60/17/566816017.db2.gz JJWPDCKOISQLEO-ZETCQYMHSA-N -1 3 384.376 3.349 20 0 GGADHM O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1cc(=O)[n-]c(C2CC2)n1 ZINC000517245965 566816014 /nfs/dbraw/zinc/81/60/14/566816014.db2.gz HETMABBNHRQNPB-GFCCVEGCSA-N -1 3 392.228 3.379 20 0 GGADHM COC(=O)[C@@H](NCc1cc([O-])ccc1Br)c1ccc(OC)cc1 ZINC000428092628 566817444 /nfs/dbraw/zinc/81/74/44/566817444.db2.gz PTNVQBJQUVUECI-INIZCTEOSA-N -1 3 380.238 3.167 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)no1 ZINC000451423405 566817660 /nfs/dbraw/zinc/81/76/60/566817660.db2.gz RWRIQHDWTIPKDK-LBPRGKRZSA-N -1 3 380.457 3.235 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)cc1Cl ZINC000517284476 566817967 /nfs/dbraw/zinc/81/79/67/566817967.db2.gz DZEUGUQUOUZLRY-UHFFFAOYSA-N -1 3 390.244 3.209 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2cc(Cl)sc2Cl)on1 ZINC000562740246 566818247 /nfs/dbraw/zinc/81/82/47/566818247.db2.gz AQBHCOOUWNOVHM-ZETCQYMHSA-N -1 3 383.278 3.293 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000542691821 566819122 /nfs/dbraw/zinc/81/91/22/566819122.db2.gz VIKWAKKCYAQDDK-GFCCVEGCSA-N -1 3 394.251 3.153 20 0 GGADHM Cc1cc(C(C)(C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1Br ZINC000428134541 566819290 /nfs/dbraw/zinc/81/92/90/566819290.db2.gz ABECWALGWOJTOZ-UHFFFAOYSA-N -1 3 392.297 3.464 20 0 GGADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)s1 ZINC000451438967 566819462 /nfs/dbraw/zinc/81/94/62/566819462.db2.gz XBYBYGCXIZQAOT-VIFPVBQESA-N -1 3 391.312 3.344 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3ccc(CO)cc3)s2)cs1 ZINC000678838061 566819941 /nfs/dbraw/zinc/81/99/41/566819941.db2.gz AORAHXCIVRRZPA-UHFFFAOYSA-N -1 3 394.543 3.193 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1ccccn1 ZINC000610263052 566820755 /nfs/dbraw/zinc/82/07/55/566820755.db2.gz MLXOUUGWGGUPRU-INIZCTEOSA-N -1 3 382.869 3.341 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)N1CCc2sccc2C1 ZINC000631727995 566820813 /nfs/dbraw/zinc/82/08/13/566820813.db2.gz UUTJPTWASMMTEC-SNVBAGLBSA-N -1 3 376.450 3.004 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(Cc3cccc(Cl)c3)CC2)s1 ZINC000562783774 566821516 /nfs/dbraw/zinc/82/15/16/566821516.db2.gz OHDHFTWJSLODBM-UHFFFAOYSA-N -1 3 399.925 3.056 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)C[C@@H]3CCC(F)(F)C3)CCCCCC2)no1 ZINC000631731735 566821649 /nfs/dbraw/zinc/82/16/49/566821649.db2.gz BSRXIVAHHGVDCZ-CYBMUJFWSA-N -1 3 377.457 3.282 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000428179169 566821754 /nfs/dbraw/zinc/82/17/54/566821754.db2.gz XNFMFHCYUIERHG-UHFFFAOYSA-N -1 3 392.181 3.008 20 0 GGADHM O=S(=O)([N-][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccs1 ZINC000581994155 566821944 /nfs/dbraw/zinc/82/19/44/566821944.db2.gz CQJUJCJTBIXJRA-HNNXBMFYSA-N -1 3 391.436 3.447 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1CCCN2)c1ccc(F)cc1Br ZINC000489988165 566822077 /nfs/dbraw/zinc/82/20/77/566822077.db2.gz KMQDPMWUTLFTDQ-UHFFFAOYSA-N -1 3 399.285 3.425 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000542740177 566822738 /nfs/dbraw/zinc/82/27/38/566822738.db2.gz NPVQCBFWJJJDHD-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489998807 566822895 /nfs/dbraw/zinc/82/28/95/566822895.db2.gz ORKPJRJDUOCKHV-LLVKDONJSA-N -1 3 379.400 3.106 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1nnc(C2CC2)s1 ZINC000562785676 566823135 /nfs/dbraw/zinc/82/31/35/566823135.db2.gz KFPFJWPWSPZWKR-UHFFFAOYSA-N -1 3 378.306 3.342 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)s1 ZINC000542747279 566823406 /nfs/dbraw/zinc/82/34/06/566823406.db2.gz ZEHAYVLMHOJOEA-UHFFFAOYSA-N -1 3 396.372 3.430 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1csc(-c2ccccc2)n1 ZINC000562785831 566823285 /nfs/dbraw/zinc/82/32/85/566823285.db2.gz SSZCDTUMZSNWGZ-UHFFFAOYSA-N -1 3 378.504 3.018 20 0 GGADHM O=c1[n-]c(CN2CCC(Oc3cncc(Cl)c3)CC2)nc2ccsc21 ZINC000582011191 566823313 /nfs/dbraw/zinc/82/33/13/566823313.db2.gz SKJKMHPVZVMSKC-UHFFFAOYSA-N -1 3 376.869 3.489 20 0 GGADHM Cc1cnc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)c(C)c1 ZINC000655634289 566824371 /nfs/dbraw/zinc/82/43/71/566824371.db2.gz HIKIZZUKMSECIB-UHFFFAOYSA-N -1 3 387.274 3.121 20 0 GGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-][C@H](C3CCCCC3)C(F)(F)F)cc2[nH]1 ZINC000542755758 566824363 /nfs/dbraw/zinc/82/43/63/566824363.db2.gz PMNDIJAFUWIXEQ-CYBMUJFWSA-N -1 3 377.388 3.058 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)c2cccc(C(F)(F)F)c2)cn1C ZINC000517400045 566824454 /nfs/dbraw/zinc/82/44/54/566824454.db2.gz JGNGRQLXCOZATR-UHFFFAOYSA-N -1 3 375.416 3.003 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000490006543 566824656 /nfs/dbraw/zinc/82/46/56/566824656.db2.gz MVJVWPZQRNWGSC-NSHDSACASA-N -1 3 379.400 3.106 20 0 GGADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2csc(S(C)(=O)=O)c2)s1 ZINC000469880779 566824666 /nfs/dbraw/zinc/82/46/66/566824666.db2.gz SHOYUXSUKVTQOD-UHFFFAOYSA-N -1 3 397.478 3.370 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCCC(F)(F)C1)c1cncc(Br)c1 ZINC000490012626 566824772 /nfs/dbraw/zinc/82/47/72/566824772.db2.gz BMYPZRGJHVUTLJ-JTQLQIEISA-N -1 3 383.258 3.338 20 0 GGADHM CCCOc1cc(C)ccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000517409260 566825338 /nfs/dbraw/zinc/82/53/38/566825338.db2.gz UEVQHULKDWIFLY-UHFFFAOYSA-N -1 3 382.507 3.152 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ncc(C)cc2C)s1 ZINC000655634919 566825918 /nfs/dbraw/zinc/82/59/18/566825918.db2.gz ARZMKOYFJCHWKL-UHFFFAOYSA-N -1 3 389.340 3.352 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428241511 566827042 /nfs/dbraw/zinc/82/70/42/566827042.db2.gz KKYBLGZAUGADPG-NXEZZACHSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)s1 ZINC000655652263 566827046 /nfs/dbraw/zinc/82/70/46/566827046.db2.gz WQKMREPONFPONQ-VIFPVBQESA-N -1 3 375.313 3.124 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428241517 566827447 /nfs/dbraw/zinc/82/74/47/566827447.db2.gz KKYBLGZAUGADPG-VHSXEESVSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)c(F)cc1Br ZINC000655653254 566827728 /nfs/dbraw/zinc/82/77/28/566827728.db2.gz LXHRGWWIPPXUNY-NSHDSACASA-N -1 3 387.274 3.201 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428265894 566828766 /nfs/dbraw/zinc/82/87/66/566828766.db2.gz QQADAPGDYURHQF-TVQRCGJNSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)[N-]Cc1noc(-c2cccs2)n1 ZINC000631815114 566829046 /nfs/dbraw/zinc/82/90/46/566829046.db2.gz XFHSLNODKZVRTF-SNVBAGLBSA-N -1 3 377.438 3.043 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)sc1Br ZINC000490091640 566830318 /nfs/dbraw/zinc/83/03/18/566830318.db2.gz MOLJKTMBGIIPQV-GFCCVEGCSA-N -1 3 396.372 3.285 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCCO1 ZINC000679012474 566830803 /nfs/dbraw/zinc/83/08/03/566830803.db2.gz SJEKOCXQRHPUCS-ZANVPECISA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(C(F)F)o1 ZINC000631847290 566830970 /nfs/dbraw/zinc/83/09/70/566830970.db2.gz RAZGYXKPQOKAGQ-GFCCVEGCSA-N -1 3 390.477 3.469 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCCCO1 ZINC000679011302 566831228 /nfs/dbraw/zinc/83/12/28/566831228.db2.gz CINRECJGROPIKI-AAEUAGOBSA-N -1 3 392.315 3.084 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000562904478 566831545 /nfs/dbraw/zinc/83/15/45/566831545.db2.gz DYUYCMJGINAUIB-YOEHRIQHSA-N -1 3 386.300 3.438 20 0 GGADHM Cc1nc([C@H]2CCOC2)sc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000631900579 566832443 /nfs/dbraw/zinc/83/24/43/566832443.db2.gz UXTHYLIUKDMPAS-ZETCQYMHSA-N -1 3 378.401 3.164 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1C(F)(F)F ZINC000655669798 566833214 /nfs/dbraw/zinc/83/32/14/566833214.db2.gz RQSTVUICKMMMEN-ZIAGYGMSSA-N -1 3 380.407 3.140 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)c1nncn1C ZINC000451532959 566833313 /nfs/dbraw/zinc/83/33/13/566833313.db2.gz LMNACAIFELGDNQ-ZDUSSCGKSA-N -1 3 384.914 3.359 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN2CCCC[C@@H]12)c1cc(Cl)ccc1OC(F)F ZINC000655666793 566833454 /nfs/dbraw/zinc/83/34/54/566833454.db2.gz AJNCTLCCEUJVLA-OLZOCXBDSA-N -1 3 394.871 3.237 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)s1 ZINC000655669349 566833709 /nfs/dbraw/zinc/83/37/09/566833709.db2.gz OVFXVLKWDPRLKG-CHWSQXEVSA-N -1 3 393.372 3.114 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000562923293 566833989 /nfs/dbraw/zinc/83/39/89/566833989.db2.gz JGIRIBOPZQXCQK-UHFFFAOYSA-N -1 3 378.837 3.482 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]C[C@H](CO)Cc2c(F)cccc2Cl)c1F ZINC000542874225 566834660 /nfs/dbraw/zinc/83/46/60/566834660.db2.gz FNXGDCKFODYLIO-GFCCVEGCSA-N -1 3 389.851 3.056 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCc3c[nH]nc3C)s2)cs1 ZINC000451542735 566835865 /nfs/dbraw/zinc/83/58/65/566835865.db2.gz ABGPVTXFGJGFHM-UHFFFAOYSA-N -1 3 382.536 3.123 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)cc(Cl)c1 ZINC000428380195 566835929 /nfs/dbraw/zinc/83/59/29/566835929.db2.gz BTSPVWXCCGHRHU-DLBZAZTESA-N -1 3 387.835 3.063 20 0 GGADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000631946989 566835923 /nfs/dbraw/zinc/83/59/23/566835923.db2.gz QCGQHSRRBZWCJM-LLVKDONJSA-N -1 3 397.294 3.354 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3Cc4cccc(O)c4C3)s2)cs1 ZINC000428381823 566836022 /nfs/dbraw/zinc/83/60/22/566836022.db2.gz PZXPOUCWZZEIMJ-LBPRGKRZSA-N -1 3 392.527 3.331 20 0 GGADHM O=C(NCC(F)(F)F)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000517636574 566836552 /nfs/dbraw/zinc/83/65/52/566836552.db2.gz KJOOWWRDVNUPPN-UHFFFAOYSA-N -1 3 392.424 3.025 20 0 GGADHM COc1cccc2c1CN(C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000655702670 566836706 /nfs/dbraw/zinc/83/67/06/566836706.db2.gz IZEHPVZVACGOLV-UHFFFAOYSA-N -1 3 391.265 3.431 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)c(Cl)c1Cl ZINC000451552600 566837351 /nfs/dbraw/zinc/83/73/51/566837351.db2.gz WOHNVGNPSUHIOG-CYBMUJFWSA-N -1 3 378.281 3.401 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1F ZINC000582197314 566840284 /nfs/dbraw/zinc/84/02/84/566840284.db2.gz AMFMGLSKDLQWAO-UHFFFAOYSA-N -1 3 391.251 3.222 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO[C@H]1C1CC1 ZINC000428414525 566840835 /nfs/dbraw/zinc/84/08/35/566840835.db2.gz VBCHAGCXGZNSSC-KBPBESRZSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)sc1Cl ZINC000428409472 566840948 /nfs/dbraw/zinc/84/09/48/566840948.db2.gz VSQXXKOYHCTGHE-CJNGLKHVSA-N -1 3 389.901 3.294 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)sc1Cl ZINC000428409473 566841460 /nfs/dbraw/zinc/84/14/60/566841460.db2.gz VSQXXKOYHCTGHE-CZUORRHYSA-N -1 3 389.901 3.294 20 0 GGADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cscc1Br ZINC000632022586 566841605 /nfs/dbraw/zinc/84/16/05/566841605.db2.gz NRMCPXAAVYHYKD-ZDUSSCGKSA-N -1 3 390.324 3.303 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Br)c1 ZINC000428411045 566841637 /nfs/dbraw/zinc/84/16/37/566841637.db2.gz QTBFTJQXTDRWKR-LBPRGKRZSA-N -1 3 390.690 3.182 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428411823 566841962 /nfs/dbraw/zinc/84/19/62/566841962.db2.gz GMGUBWQZNUBSKK-JTQLQIEISA-N -1 3 389.702 3.407 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000451570267 566842231 /nfs/dbraw/zinc/84/22/31/566842231.db2.gz SWFSGRSGWUYECQ-MNOVXSKESA-N -1 3 395.390 3.006 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc3ccccc3n(C)c2=O)sc1Cl ZINC000490322311 566842578 /nfs/dbraw/zinc/84/25/78/566842578.db2.gz NNMRXVADCWKNAC-UHFFFAOYSA-N -1 3 382.894 3.040 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428419963 566843047 /nfs/dbraw/zinc/84/30/47/566843047.db2.gz MZXSFMPHTHGHLE-ZJUUUORDSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428419961 566843291 /nfs/dbraw/zinc/84/32/91/566843291.db2.gz MZXSFMPHTHGHLE-VHSXEESVSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428419955 566843309 /nfs/dbraw/zinc/84/33/09/566843309.db2.gz MZXSFMPHTHGHLE-NXEZZACHSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)cs1 ZINC000679283508 566845155 /nfs/dbraw/zinc/84/51/55/566845155.db2.gz UMZFWLCPMULETI-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccnc1 ZINC000451579568 566844993 /nfs/dbraw/zinc/84/49/93/566844993.db2.gz FXLFYYRMJMDUBS-MRXNPFEDSA-N -1 3 386.876 3.053 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)N=c2[n-]n(C)cc2Br)ccc1C(C)C ZINC000517745942 566845305 /nfs/dbraw/zinc/84/53/05/566845305.db2.gz ODVKPLFDNLRCFP-LBPRGKRZSA-N -1 3 380.286 3.442 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)c1ccccc1C ZINC000451581122 566845545 /nfs/dbraw/zinc/84/55/45/566845545.db2.gz JGQFAVJCZFGQCP-CYBMUJFWSA-N -1 3 381.416 3.034 20 0 GGADHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000610576482 566845502 /nfs/dbraw/zinc/84/55/02/566845502.db2.gz OZNSSFOKXGAZFL-UHFFFAOYSA-N -1 3 396.515 3.240 20 0 GGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000610590680 566845518 /nfs/dbraw/zinc/84/55/18/566845518.db2.gz MLJJNCIPCIFFFO-UHFFFAOYSA-N -1 3 378.233 3.242 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(F)cc1Cl ZINC000451588561 566845667 /nfs/dbraw/zinc/84/56/67/566845667.db2.gz QSULOQIDZSTMNB-ZETCQYMHSA-N -1 3 385.770 3.271 20 0 GGADHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000563055855 566849363 /nfs/dbraw/zinc/84/93/63/566849363.db2.gz WNMTZYUACMYEII-YGRLFVJLSA-N -1 3 396.734 3.073 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1F ZINC000517830388 566849633 /nfs/dbraw/zinc/84/96/33/566849633.db2.gz DKXCLPHJVKDJFU-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCCCCn1cccn1 ZINC000582307041 566849866 /nfs/dbraw/zinc/84/98/66/566849866.db2.gz RSEUCSMJPWSIQH-KRWDZBQOSA-N -1 3 392.297 3.327 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000490432848 566850051 /nfs/dbraw/zinc/85/00/51/566850051.db2.gz AOQXRQWSKAGDDN-UHFFFAOYSA-N -1 3 385.458 3.263 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1)c1ccc(Cl)cc1Br ZINC000543074345 566850416 /nfs/dbraw/zinc/85/04/16/566850416.db2.gz NRMCWCXRZHVNLQ-UHFFFAOYSA-N -1 3 390.686 3.460 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)c1ccon1 ZINC000563062700 566851170 /nfs/dbraw/zinc/85/11/70/566851170.db2.gz GJVNKYQEZVUGPE-QMMMGPOBSA-N -1 3 379.663 3.271 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)cc1OC ZINC000451616214 566852002 /nfs/dbraw/zinc/85/20/02/566852002.db2.gz YRJYTYXCCMIRFF-LLVKDONJSA-N -1 3 383.466 3.011 20 0 GGADHM COCc1ccccc1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543105553 566852199 /nfs/dbraw/zinc/85/21/99/566852199.db2.gz JAGAURYHMKCPEG-UHFFFAOYSA-N -1 3 388.258 3.213 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1 ZINC000490451324 566852386 /nfs/dbraw/zinc/85/23/86/566852386.db2.gz CRAOYGXSIGLNGD-CYBMUJFWSA-N -1 3 384.860 3.045 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cscc1Br ZINC000632135133 566852840 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COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451640077 566854769 /nfs/dbraw/zinc/85/47/69/566854769.db2.gz JWDCMRZIDCGDBN-JTQLQIEISA-N -1 3 381.828 3.230 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cscc2Br)CCO1 ZINC000632161124 566855979 /nfs/dbraw/zinc/85/59/79/566855979.db2.gz RXFKQGFMQFMWPG-BXKDBHETSA-N -1 3 382.345 3.383 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@H]1OCCc2sccc21 ZINC000490505061 566858114 /nfs/dbraw/zinc/85/81/14/566858114.db2.gz JSVAIHFEFYYXTL-BDJLRTHQSA-N -1 3 384.523 3.156 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@@H]1OCCc2sccc21 ZINC000490505064 566858390 /nfs/dbraw/zinc/85/83/90/566858390.db2.gz JSVAIHFEFYYXTL-ZBEGNZNMSA-N -1 3 384.523 3.156 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000679477787 566858500 /nfs/dbraw/zinc/85/85/00/566858500.db2.gz WCSYSWXKCNGILG-ZDUSSCGKSA-N -1 3 392.315 3.085 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(C)c2Br)o1 ZINC000490506131 566858640 /nfs/dbraw/zinc/85/86/40/566858640.db2.gz VQJLZBRBELAWNL-UHFFFAOYSA-N -1 3 387.299 3.485 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C)cc2F)sc1Br ZINC000451664283 566858945 /nfs/dbraw/zinc/85/89/45/566858945.db2.gz OGLNEFQJKIQPRW-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM O=S(=O)([N-]Cc1nc2cc(Cl)ccc2s1)c1cccc2nsnc21 ZINC000518002914 566859442 /nfs/dbraw/zinc/85/94/42/566859442.db2.gz LPBZIGIOTBSXLK-UHFFFAOYSA-N -1 3 396.906 3.433 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)sc1Br ZINC000451666269 566859385 /nfs/dbraw/zinc/85/93/85/566859385.db2.gz UCVJANPURLFLCR-UHFFFAOYSA-N -1 3 397.266 3.112 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c1 ZINC000451671009 566860553 /nfs/dbraw/zinc/86/05/53/566860553.db2.gz KPUKKTOVZLOIGL-UHFFFAOYSA-N -1 3 399.310 3.109 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccn1 ZINC000451670144 566860739 /nfs/dbraw/zinc/86/07/39/566860739.db2.gz IMIQKOFTNDPFBQ-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccn1 ZINC000451674658 566861081 /nfs/dbraw/zinc/86/10/81/566861081.db2.gz YXWISFPZAQNUJB-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(Br)cc1 ZINC000470266389 566861605 /nfs/dbraw/zinc/86/16/05/566861605.db2.gz YKYQWFMYIOZIRH-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cscc2Br)s1 ZINC000632208430 566861631 /nfs/dbraw/zinc/86/16/31/566861631.db2.gz BMUDLKDCFKJCBI-ZETCQYMHSA-N -1 3 381.342 3.358 20 0 GGADHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451684626 566862409 /nfs/dbraw/zinc/86/24/09/566862409.db2.gz JBTYFDPIDTYOAG-ZDUSSCGKSA-N -1 3 375.918 3.206 20 0 GGADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000563177868 566863211 /nfs/dbraw/zinc/86/32/11/566863211.db2.gz VNYGKARIMGKVFR-NSHDSACASA-N -1 3 380.286 3.308 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)ccc2Br)o1 ZINC000490533284 566863367 /nfs/dbraw/zinc/86/33/67/566863367.db2.gz CXIRROQMTFAETM-UHFFFAOYSA-N -1 3 387.299 3.485 20 0 GGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000679578940 566864439 /nfs/dbraw/zinc/86/44/39/566864439.db2.gz AGOILSPBIVUNCJ-GXSJLCMTSA-N -1 3 382.379 3.000 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)[C@H](O)C(F)F ZINC000451705905 566865409 /nfs/dbraw/zinc/86/54/09/566865409.db2.gz FVEYCUHJKGDTPW-WFASDCNBSA-N -1 3 397.871 3.202 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)[C@H](O)C(F)F ZINC000451705900 566865572 /nfs/dbraw/zinc/86/55/72/566865572.db2.gz FVEYCUHJKGDTPW-DOMZBBRYSA-N -1 3 397.871 3.202 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC(CSC)CC1 ZINC000451704495 566865606 /nfs/dbraw/zinc/86/56/06/566865606.db2.gz HFYASCMOAURTGN-UHFFFAOYSA-N -1 3 391.942 3.327 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)[C@@H](O)C(F)F ZINC000451705902 566865768 /nfs/dbraw/zinc/86/57/68/566865768.db2.gz FVEYCUHJKGDTPW-IUODEOHRSA-N -1 3 397.871 3.202 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)[C@@H](O)C(F)F ZINC000451705904 566866003 /nfs/dbraw/zinc/86/60/03/566866003.db2.gz FVEYCUHJKGDTPW-SWLSCSKDSA-N -1 3 397.871 3.202 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)OC ZINC000490575402 566866197 /nfs/dbraw/zinc/86/61/97/566866197.db2.gz ARYWYDWXFSDFPK-ZDUSSCGKSA-N -1 3 393.933 3.237 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000543252173 566866811 /nfs/dbraw/zinc/86/68/11/566866811.db2.gz AUIDOZSPFAGQGT-HUUCEWRRSA-N -1 3 380.293 3.238 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@@H](O)CCc1ccccc1 ZINC000543246187 566866865 /nfs/dbraw/zinc/86/68/65/566866865.db2.gz OFFQMKSZZJBOMJ-AWEZNQCLSA-N -1 3 388.316 3.407 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000543246971 566867641 /nfs/dbraw/zinc/86/76/41/566867641.db2.gz QVKBFKRUYAOVMQ-ZIAGYGMSSA-N -1 3 394.718 3.338 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000451710283 566867822 /nfs/dbraw/zinc/86/78/22/566867822.db2.gz MAQNTZFYSOGYSG-DGCLKSJQSA-N -1 3 381.475 3.034 20 0 GGADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000518148114 566868651 /nfs/dbraw/zinc/86/86/51/566868651.db2.gz ZHCQRYOWITVSIL-GFCCVEGCSA-N -1 3 385.942 3.084 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)o1 ZINC000490598841 566869001 /nfs/dbraw/zinc/86/90/01/566869001.db2.gz BYDOQFROCYGGAD-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c1 ZINC000563256842 566869130 /nfs/dbraw/zinc/86/91/30/566869130.db2.gz XFHUAONJVRODDP-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000543282430 566869211 /nfs/dbraw/zinc/86/92/11/566869211.db2.gz JHQSWVFFMWOUAD-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000543282430 566869214 /nfs/dbraw/zinc/86/92/14/566869214.db2.gz JHQSWVFFMWOUAD-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM CC(C)[C@@H](CNCc1c(Br)cncc1Br)C(=O)[O-] ZINC000656095408 566869948 /nfs/dbraw/zinc/86/99/48/566869948.db2.gz CTEBYTQCEHKQFM-MRVPVSSYSA-N -1 3 380.080 3.053 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)cc2Br)o1 ZINC000490610117 566870979 /nfs/dbraw/zinc/87/09/79/566870979.db2.gz VGGDOEXWEJJPJK-UHFFFAOYSA-N -1 3 387.299 3.485 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1cncc(F)c1 ZINC000679760092 566871309 /nfs/dbraw/zinc/87/13/09/566871309.db2.gz MXXXVGWEJXLTJV-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)CCC=C(C)C)c1OC ZINC000451742706 566872036 /nfs/dbraw/zinc/87/20/36/566872036.db2.gz RRHZKGMXHZQYKR-GFCCVEGCSA-N -1 3 388.917 3.121 20 0 GGADHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(C)C ZINC000451736011 566872209 /nfs/dbraw/zinc/87/22/09/566872209.db2.gz QEAHHEMNYISHMF-ZDUSSCGKSA-N -1 3 381.325 3.083 20 0 GGADHM O=S(=O)([N-]C1(CF)CCOCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000451739462 566873010 /nfs/dbraw/zinc/87/30/10/566873010.db2.gz UWOAUPJMOMAPDR-UHFFFAOYSA-N -1 3 391.892 3.316 20 0 GGADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000490649346 566873914 /nfs/dbraw/zinc/87/39/14/566873914.db2.gz VZWMNIKLZSETPY-UHFFFAOYSA-N -1 3 398.308 3.402 20 0 GGADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000490644090 566874033 /nfs/dbraw/zinc/87/40/33/566874033.db2.gz MNTGTYCYVFVFFB-UHFFFAOYSA-N -1 3 381.416 3.247 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cscc1Br ZINC000632335576 566875347 /nfs/dbraw/zinc/87/53/47/566875347.db2.gz MVUYNQOOTZHWCX-UHFFFAOYSA-N -1 3 379.301 3.329 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cccc(Br)c1F ZINC000543393904 566876943 /nfs/dbraw/zinc/87/69/43/566876943.db2.gz ATKLOMLXEKDHPF-UHFFFAOYSA-N -1 3 386.242 3.097 20 0 GGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543393100 566877196 /nfs/dbraw/zinc/87/71/96/566877196.db2.gz UUQRGZSVYPIOMQ-GFCCVEGCSA-N -1 3 395.750 3.254 20 0 GGADHM CC(C)(CF)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000543392811 566877221 /nfs/dbraw/zinc/87/72/21/566877221.db2.gz BOHSYRUTCLKIJO-UHFFFAOYSA-N -1 3 378.185 3.494 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000490750734 566877183 /nfs/dbraw/zinc/87/71/83/566877183.db2.gz KDCCHANZNGNROG-OAHLLOKOSA-N -1 3 384.929 3.034 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)cs1 ZINC000632345921 566877759 /nfs/dbraw/zinc/87/77/59/566877759.db2.gz YUFOGOHYJDMUTF-UHFFFAOYSA-N -1 3 395.531 3.200 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(C)(C)c2nnc3n2CCCC3)s1 ZINC000451772466 566878741 /nfs/dbraw/zinc/87/87/41/566878741.db2.gz AIAAOPOPDPTCGG-UHFFFAOYSA-N -1 3 382.555 3.187 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000451783729 566880073 /nfs/dbraw/zinc/88/00/73/566880073.db2.gz DUYUFUKOQIRVFA-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM O=C(NCCOc1ccc(Br)cc1)c1c[n-]nc1-c1ccccn1 ZINC000582635584 566880112 /nfs/dbraw/zinc/88/01/12/566880112.db2.gz ALEPHJRPPPYBPE-UHFFFAOYSA-N -1 3 387.237 3.043 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2scnc2C)c(Cl)c1Cl ZINC000451783692 566880321 /nfs/dbraw/zinc/88/03/21/566880321.db2.gz DPGQKUGWEKCALF-UHFFFAOYSA-N -1 3 381.306 3.288 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582617717 566880467 /nfs/dbraw/zinc/88/04/67/566880467.db2.gz UNXIPECOLNDROU-UHFFFAOYSA-N -1 3 396.672 3.448 20 0 GGADHM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)[nH]n1 ZINC000632395534 566880964 /nfs/dbraw/zinc/88/09/64/566880964.db2.gz PEGOSMQMGJAGOP-SECBINFHSA-N -1 3 392.706 3.044 20 0 GGADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)[nH]n1 ZINC000632396034 566881006 /nfs/dbraw/zinc/88/10/06/566881006.db2.gz ZYEJRRQQGMDZQX-VIFPVBQESA-N -1 3 392.706 3.044 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cscc1Br)c1ccccn1 ZINC000632388859 566881213 /nfs/dbraw/zinc/88/12/13/566881213.db2.gz DRMCNPHHGPJCLG-UHFFFAOYSA-N -1 3 375.313 3.162 20 0 GGADHM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Br)[nH]n1 ZINC000632395370 566881388 /nfs/dbraw/zinc/88/13/88/566881388.db2.gz MCJBKQRUUOJQGZ-SECBINFHSA-N -1 3 392.706 3.044 20 0 GGADHM Cc1nocc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000632397630 566881568 /nfs/dbraw/zinc/88/15/68/566881568.db2.gz FPJOVJCFEHDHNQ-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCOC(C)C ZINC000679937056 566882235 /nfs/dbraw/zinc/88/22/35/566882235.db2.gz DCFMLBKUEUSGBI-UHFFFAOYSA-N -1 3 394.331 3.331 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cccc(Br)c1Cl ZINC000518416467 566882438 /nfs/dbraw/zinc/88/24/38/566882438.db2.gz DZAAAPMPCORTSK-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(F)F ZINC000582642227 566882691 /nfs/dbraw/zinc/88/26/91/566882691.db2.gz QBVYANMXERRLGU-VIFPVBQESA-N -1 3 385.208 3.408 20 0 GGADHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470561386 566883036 /nfs/dbraw/zinc/88/30/36/566883036.db2.gz SBQVINPOLGLSFR-UHFFFAOYSA-N -1 3 381.885 3.266 20 0 GGADHM COC[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(Cl)cc1 ZINC000451805189 566884130 /nfs/dbraw/zinc/88/41/30/566884130.db2.gz CIDHBXBBAAMBLO-LBPRGKRZSA-N -1 3 375.277 3.097 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2ccc(C)cc21 ZINC000611017250 566884415 /nfs/dbraw/zinc/88/44/15/566884415.db2.gz XTTTVCNWRMHQGS-INIZCTEOSA-N -1 3 379.865 3.401 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000451805078 566884675 /nfs/dbraw/zinc/88/46/75/566884675.db2.gz AUKNXJWSAYNFJN-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM CCc1nc([N-]C(=O)c2nc(C)sc2Br)sc1C(=O)OC ZINC000563466052 566885258 /nfs/dbraw/zinc/88/52/58/566885258.db2.gz IJZYOHXDJLODGD-UHFFFAOYSA-N -1 3 390.284 3.272 20 0 GGADHM CCCOc1c(OC)cc(CC[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000451807340 566885279 /nfs/dbraw/zinc/88/52/79/566885279.db2.gz AZGPYUAZQHQLAI-UHFFFAOYSA-N -1 3 385.507 3.075 20 0 GGADHM Cn1[n-]c(=NC(=O)C(C)(C)c2cccc(Br)c2)cc1OC(F)F ZINC000490920568 566886107 /nfs/dbraw/zinc/88/61/07/566886107.db2.gz UIUWSGFXVRCPOU-UHFFFAOYSA-N -1 3 388.212 3.122 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1Cn1cccn1 ZINC000428865468 566886591 /nfs/dbraw/zinc/88/65/91/566886591.db2.gz FEPXLTCLLFMMTM-UHFFFAOYSA-N -1 3 386.249 3.330 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000632465119 566886888 /nfs/dbraw/zinc/88/68/88/566886888.db2.gz IDUFOTQLIYFBHR-SECBINFHSA-N -1 3 399.925 3.283 20 0 GGADHM Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000632446825 566886956 /nfs/dbraw/zinc/88/69/56/566886956.db2.gz DIIDDGAIAHCAPL-VIFPVBQESA-N -1 3 381.351 3.104 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000632446824 566886979 /nfs/dbraw/zinc/88/69/79/566886979.db2.gz DIIDDGAIAHCAPL-SECBINFHSA-N -1 3 381.351 3.104 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000470608093 566887060 /nfs/dbraw/zinc/88/70/60/566887060.db2.gz DXXOINKASGQXJH-GFCCVEGCSA-N -1 3 384.885 3.072 20 0 GGADHM Cn1[n-]c(=NC(=O)Cc2cc(Cl)ccc2Br)cc1OC(F)F ZINC000490972850 566887542 /nfs/dbraw/zinc/88/75/42/566887542.db2.gz RCNVPLUBZVJLQX-UHFFFAOYSA-N -1 3 394.603 3.041 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451820838 566887278 /nfs/dbraw/zinc/88/72/78/566887278.db2.gz FJHCUVFOUANGEJ-SECBINFHSA-N -1 3 384.242 3.171 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000611079666 566887587 /nfs/dbraw/zinc/88/75/87/566887587.db2.gz HKNFHOATXRZYCX-UHFFFAOYSA-N -1 3 389.901 3.141 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1nc(C(F)(F)F)no1 ZINC000632479613 566888071 /nfs/dbraw/zinc/88/80/71/566888071.db2.gz FTSCCFSQVXYJIR-LURJTMIESA-N -1 3 387.742 3.062 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490971555 566888278 /nfs/dbraw/zinc/88/82/78/566888278.db2.gz LFQLEBBEYSTFLO-SECBINFHSA-N -1 3 388.212 3.023 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)o1 ZINC000470615799 566888867 /nfs/dbraw/zinc/88/88/67/566888867.db2.gz ZXAKJLGRNZSTEU-UHFFFAOYSA-N -1 3 383.809 3.253 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494301 566889100 /nfs/dbraw/zinc/88/91/00/566889100.db2.gz RNWDYHXSIJUMTH-HTQZYQBOSA-N -1 3 393.332 3.182 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451823560 566888966 /nfs/dbraw/zinc/88/89/66/566888966.db2.gz NOZVAHOCROABLT-JTQLQIEISA-N -1 3 389.445 3.402 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1C(N)=O ZINC000470614925 566889068 /nfs/dbraw/zinc/88/90/68/566889068.db2.gz XSNKMHJABYHTIU-GXTWGEPZSA-N -1 3 384.885 3.107 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000451823152 566889354 /nfs/dbraw/zinc/88/93/54/566889354.db2.gz MHHMPWYACZPFIQ-JTQLQIEISA-N -1 3 397.285 3.229 20 0 GGADHM O=S(=O)(Cc1cc(Br)ccc1Cl)c1nc2c([n-]1)CCC2 ZINC000563496828 566889294 /nfs/dbraw/zinc/88/92/94/566889294.db2.gz HUWQFRCSBPAJMG-UHFFFAOYSA-N -1 3 375.675 3.288 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cc(Br)cc2c1OCC2 ZINC000451824832 566889545 /nfs/dbraw/zinc/88/95/45/566889545.db2.gz PPEPYKZOCXBAQE-JTQLQIEISA-N -1 3 396.253 3.098 20 0 GGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1ccccc1C ZINC000611106369 566889596 /nfs/dbraw/zinc/88/95/96/566889596.db2.gz JXVBQVVQDCRTGI-INIZCTEOSA-N -1 3 382.869 3.016 20 0 GGADHM Cc1cccc(S(=O)(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1Cl ZINC000563489048 566889649 /nfs/dbraw/zinc/88/96/49/566889649.db2.gz PYHGGSZERPSQIH-UHFFFAOYSA-N -1 3 397.287 3.320 20 0 GGADHM Cc1cc(CCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)ccc1Br ZINC000491003578 566890420 /nfs/dbraw/zinc/89/04/20/566890420.db2.gz PPCQXILKGPAYED-UHFFFAOYSA-N -1 3 388.212 3.086 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)F)no1)c1cc(C(F)(F)F)ccc1Cl ZINC000632481199 566890660 /nfs/dbraw/zinc/89/06/60/566890660.db2.gz JFVGSRIQBQRCRP-UHFFFAOYSA-N -1 3 391.705 3.158 20 0 GGADHM COc1cc(Cl)c(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1C ZINC000582750267 566891220 /nfs/dbraw/zinc/89/12/20/566891220.db2.gz JZLHRYNXUQXHKU-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491077667 566891402 /nfs/dbraw/zinc/89/14/02/566891402.db2.gz NJTFQPDFKVFWAB-SSDOTTSWSA-N -1 3 380.178 3.156 20 0 GGADHM Cc1c([N-]S(=O)(=O)CCOCC(F)(F)F)cccc1OCC(F)(F)F ZINC000582758017 566891536 /nfs/dbraw/zinc/89/15/36/566891536.db2.gz RXEROEQKKSYMCN-UHFFFAOYSA-N -1 3 395.321 3.257 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)s1 ZINC000680095854 566891767 /nfs/dbraw/zinc/89/17/67/566891767.db2.gz ZXSLSQMBHFSRTF-JTQLQIEISA-N -1 3 380.482 3.192 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1cccs1 ZINC000611117016 566891787 /nfs/dbraw/zinc/89/17/87/566891787.db2.gz GVYWQTBTHBAORY-LBPRGKRZSA-N -1 3 377.846 3.123 20 0 GGADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000518574167 566891840 /nfs/dbraw/zinc/89/18/40/566891840.db2.gz RHAPVNVUBNGTEF-AWEZNQCLSA-N -1 3 375.266 3.159 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1ccccc1C(F)(F)F ZINC000680106927 566892620 /nfs/dbraw/zinc/89/26/20/566892620.db2.gz DGRHGYZXGDTWLR-LLVKDONJSA-N -1 3 379.306 3.396 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1ccc(Cl)cc1F ZINC000543620522 566892763 /nfs/dbraw/zinc/89/27/63/566892763.db2.gz UQZKVGVJSYZYTJ-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680106801 566892878 /nfs/dbraw/zinc/89/28/78/566892878.db2.gz BKFXZHMIMVCJQH-CYBMUJFWSA-N -1 3 377.771 3.310 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)s1 ZINC000680108580 566892897 /nfs/dbraw/zinc/89/28/97/566892897.db2.gz ARUFZSISBCXGPU-WCQYABFASA-N -1 3 380.329 3.055 20 0 GGADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000518584488 566892937 /nfs/dbraw/zinc/89/29/37/566892937.db2.gz BJISVWWSZFFCMA-UHFFFAOYSA-N -1 3 381.223 3.393 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000543619830 566893214 /nfs/dbraw/zinc/89/32/14/566893214.db2.gz KRKVUHKRZLQUGI-HNNXBMFYSA-N -1 3 375.824 3.080 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000680106169 566893304 /nfs/dbraw/zinc/89/33/04/566893304.db2.gz AKLRMLBQDYZRKN-LBPRGKRZSA-N -1 3 375.780 3.039 20 0 GGADHM O=S(=O)(C[C@H]1CCC(F)(F)C1)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000632570827 566895174 /nfs/dbraw/zinc/89/51/74/566895174.db2.gz ZINSTBVRVYRDLG-JOYOIKCWSA-N -1 3 388.263 3.382 20 0 GGADHM CCCN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000582795993 566895058 /nfs/dbraw/zinc/89/50/58/566895058.db2.gz GQXIDHNPPTZJAO-UHFFFAOYSA-N -1 3 381.325 3.309 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl ZINC000451856296 566895193 /nfs/dbraw/zinc/89/51/93/566895193.db2.gz PIUFTRCTIAUGNW-ZBEGNZNMSA-N -1 3 394.320 3.077 20 0 GGADHM COCc1csc(C[N-]S(=O)(=O)c2cscc2Br)c1 ZINC000632558840 566895294 /nfs/dbraw/zinc/89/52/94/566895294.db2.gz ZDZCLQJVPMRPHT-UHFFFAOYSA-N -1 3 382.326 3.197 20 0 GGADHM O=S(=O)(C[C@@H]1CCC(F)(F)C1)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000632570828 566895553 /nfs/dbraw/zinc/89/55/53/566895553.db2.gz ZINSTBVRVYRDLG-SKDRFNHKSA-N -1 3 388.263 3.382 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)cc1F ZINC000518621045 566895793 /nfs/dbraw/zinc/89/57/93/566895793.db2.gz YYTFXXXRAIITPZ-OAHLLOKOSA-N -1 3 375.462 3.373 20 0 GGADHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000518605191 566895814 /nfs/dbraw/zinc/89/58/14/566895814.db2.gz SWWUWFISSIZJOI-JTQLQIEISA-N -1 3 383.377 3.218 20 0 GGADHM O=S(=O)([N-][C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000451867613 566896702 /nfs/dbraw/zinc/89/67/02/566896702.db2.gz ZFEPDTYDDYNSOA-IUODEOHRSA-N -1 3 397.846 3.434 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1cscc1Br ZINC000632605165 566896978 /nfs/dbraw/zinc/89/69/78/566896978.db2.gz NFLYSLZTTQMWOE-OCCSQVGLSA-N -1 3 388.308 3.319 20 0 GGADHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F ZINC000543682036 566899789 /nfs/dbraw/zinc/89/97/89/566899789.db2.gz HTWRGSVGCDKNPG-AWEZNQCLSA-N -1 3 378.416 3.069 20 0 GGADHM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000470746514 566900887 /nfs/dbraw/zinc/90/08/87/566900887.db2.gz UKRSBWLMUROQGZ-UHFFFAOYSA-N -1 3 375.211 3.296 20 0 GGADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543674896 566900916 /nfs/dbraw/zinc/90/09/16/566900916.db2.gz MBXRYTMFDQFDBO-SNVBAGLBSA-N -1 3 394.356 3.194 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000543685741 566901495 /nfs/dbraw/zinc/90/14/95/566901495.db2.gz NFMNMOMKDHANMI-SECBINFHSA-N -1 3 399.925 3.072 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cnc(C)s2)cc1Cl ZINC000632651771 566902156 /nfs/dbraw/zinc/90/21/56/566902156.db2.gz ZCBXCIJYTSSGIV-SSDOTTSWSA-N -1 3 391.877 3.242 20 0 GGADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](n2cncn2)C(F)(F)F)c1 ZINC000632645882 566902262 /nfs/dbraw/zinc/90/22/62/566902262.db2.gz XCYFGVYJZLWAQO-ZDUSSCGKSA-N -1 3 396.822 3.137 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000543688215 566902326 /nfs/dbraw/zinc/90/23/26/566902326.db2.gz SZOQMRPEJBJCRZ-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1F ZINC000518772523 566902544 /nfs/dbraw/zinc/90/25/44/566902544.db2.gz JBHWGRCMHGKWSN-UHFFFAOYSA-N -1 3 396.387 3.213 20 0 GGADHM CC(C)c1nncn1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000470763416 566903580 /nfs/dbraw/zinc/90/35/80/566903580.db2.gz BTJRDBLDMQMKQF-UHFFFAOYSA-N -1 3 396.822 3.052 20 0 GGADHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000470764855 566903658 /nfs/dbraw/zinc/90/36/58/566903658.db2.gz ITEKOKHWDKXUQA-SECBINFHSA-N -1 3 387.807 3.225 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2c1ccc(F)c2Br ZINC000451911856 566906635 /nfs/dbraw/zinc/90/66/35/566906635.db2.gz QXEWYJUAMKJWNP-GFCCVEGCSA-N -1 3 389.246 3.159 20 0 GGADHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491513331 566908086 /nfs/dbraw/zinc/90/80/86/566908086.db2.gz QYWKDCNDAQKYGE-OAHLLOKOSA-N -1 3 375.918 3.348 20 0 GGADHM COc1ccc(CNCc2ccc3cnn(C)c3c2)c(Br)c1[O-] ZINC000518853664 566908233 /nfs/dbraw/zinc/90/82/33/566908233.db2.gz DLSZSDQODCNZIA-UHFFFAOYSA-N -1 3 376.254 3.340 20 0 GGADHM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000451915783 566908406 /nfs/dbraw/zinc/90/84/06/566908406.db2.gz JDDZYFVFGBJUPS-DZKIICNBSA-N -1 3 387.929 3.326 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(C)C)c(OC)cc1Br ZINC000451916360 566908447 /nfs/dbraw/zinc/90/84/47/566908447.db2.gz KNHCGMREZZPGCK-QWRGUYRKSA-N -1 3 392.315 3.037 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CCC1 ZINC000611306429 566909355 /nfs/dbraw/zinc/90/93/55/566909355.db2.gz IYGAWHUXBNMXQP-VIFPVBQESA-N -1 3 396.228 3.051 20 0 GGADHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491592176 566910649 /nfs/dbraw/zinc/91/06/49/566910649.db2.gz RYCLGENBAFVHEH-OCCSQVGLSA-N -1 3 393.958 3.318 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000563716024 566911109 /nfs/dbraw/zinc/91/11/09/566911109.db2.gz NNMJTDXEVFVKDE-ZIAGYGMSSA-N -1 3 378.519 3.167 20 0 GGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491592174 566911127 /nfs/dbraw/zinc/91/11/27/566911127.db2.gz RYCLGENBAFVHEH-GXTWGEPZSA-N -1 3 393.958 3.318 20 0 GGADHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491592377 566911179 /nfs/dbraw/zinc/91/11/79/566911179.db2.gz UWZGTJKZQVPWJG-OCCSQVGLSA-N -1 3 393.958 3.318 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H](C)c2nccs2)no1 ZINC000518962828 566911674 /nfs/dbraw/zinc/91/16/74/566911674.db2.gz MYZAKHUAPCQCLD-NXEZZACHSA-N -1 3 398.897 3.371 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491580574 566911677 /nfs/dbraw/zinc/91/16/77/566911677.db2.gz CPVFZTIRPHJZSB-ZBFHGGJFSA-N -1 3 387.929 3.348 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)CSC ZINC000611376355 566912330 /nfs/dbraw/zinc/91/23/30/566912330.db2.gz NAOIXOUFIHJSIH-LLVKDONJSA-N -1 3 382.345 3.268 20 0 GGADHM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cccc([O-])c2Br)C1 ZINC000656533634 566912386 /nfs/dbraw/zinc/91/23/86/566912386.db2.gz MMHRAGKUTJGZTB-OAHLLOKOSA-N -1 3 375.266 3.222 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCCCC(=O)OC(C)(C)C)c1 ZINC000611343222 566912726 /nfs/dbraw/zinc/91/27/26/566912726.db2.gz ZUORCWLZBFRSNM-UHFFFAOYSA-N -1 3 377.890 3.139 20 0 GGADHM Cc1ccc(NC(=O)NC([O-])=CS(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000611383604 566914011 /nfs/dbraw/zinc/91/40/11/566914011.db2.gz GNSXTAHITVUMBH-UHFFFAOYSA-N -1 3 386.882 3.140 20 0 GGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000451964591 566914164 /nfs/dbraw/zinc/91/41/64/566914164.db2.gz BMODBYFGBLOVFM-AMIZOPFISA-N -1 3 382.707 3.194 20 0 GGADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491762872 566914547 /nfs/dbraw/zinc/91/45/47/566914547.db2.gz PLURQJFGDWYTDT-CYBMUJFWSA-N -1 3 375.918 3.206 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000563764690 566914795 /nfs/dbraw/zinc/91/47/95/566914795.db2.gz ANOUQZXQXGMHJT-PJXYFTJBSA-N -1 3 388.917 3.410 20 0 GGADHM CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491721367 566915512 /nfs/dbraw/zinc/91/55/12/566915512.db2.gz RTDYMWGGAVZNAS-MRXNPFEDSA-N -1 3 375.918 3.204 20 0 GGADHM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451965536 566916672 /nfs/dbraw/zinc/91/66/72/566916672.db2.gz LBAOERJEUQXRFP-VIFPVBQESA-N -1 3 381.807 3.002 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000451973382 566917083 /nfs/dbraw/zinc/91/70/83/566917083.db2.gz XAYWVNJNQWSBMO-ZDUSSCGKSA-N -1 3 377.334 3.489 20 0 GGADHM O=S(=O)([N-]CCc1cc(Cl)ccc1Br)c1ccccn1 ZINC000583038098 566917421 /nfs/dbraw/zinc/91/74/21/566917421.db2.gz CXHNVOKSUPENSA-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1 ZINC000563802137 566917962 /nfs/dbraw/zinc/91/79/62/566917962.db2.gz NZIOVURMDGANRQ-CTYIDZIISA-N -1 3 378.881 3.388 20 0 GGADHM Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)sc1C(F)(F)F ZINC000519069772 566918324 /nfs/dbraw/zinc/91/83/24/566918324.db2.gz JOMYJPPCMDDJDV-UHFFFAOYSA-N -1 3 399.441 3.034 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2csc(C3CC3)n2)cc1OC ZINC000491962888 566921024 /nfs/dbraw/zinc/92/10/24/566921024.db2.gz XCTALRQELLWBGM-UHFFFAOYSA-N -1 3 381.479 3.043 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000452000255 566921057 /nfs/dbraw/zinc/92/10/57/566921057.db2.gz YHAUNQMWBULJQI-CQSZACIVSA-N -1 3 396.317 3.250 20 0 GGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000452001293 566921268 /nfs/dbraw/zinc/92/12/68/566921268.db2.gz XTXJPOCWMGODSU-ISVAXAHUSA-N -1 3 382.707 3.194 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccnc(OC2CCC2)c1 ZINC000491974205 566921650 /nfs/dbraw/zinc/92/16/50/566921650.db2.gz BZPBSKLUXVCJGT-UHFFFAOYSA-N -1 3 391.265 3.340 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC(F)(F)F ZINC000519116241 566922421 /nfs/dbraw/zinc/92/24/21/566922421.db2.gz ZOGZZIKIWUEYGI-SECBINFHSA-N -1 3 398.834 3.482 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cccc(Cl)c1Br ZINC000452014716 566922977 /nfs/dbraw/zinc/92/29/77/566922977.db2.gz IQIBMLXNASSHCK-JTQLQIEISA-N -1 3 382.707 3.198 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2)C1CCCC1 ZINC000656615175 566923016 /nfs/dbraw/zinc/92/30/16/566923016.db2.gz AXKTUOFFGGULLR-INIZCTEOSA-N -1 3 375.874 3.058 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)c1ccccc1Cl ZINC000680626331 566923070 /nfs/dbraw/zinc/92/30/70/566923070.db2.gz YRNKXYJEVZWBKO-QGZVFWFLSA-N -1 3 380.853 3.288 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)nc2cc(Cl)ccc21 ZINC000492064420 566923091 /nfs/dbraw/zinc/92/30/91/566923091.db2.gz QLBKRVUPSUCGNL-UHFFFAOYSA-N -1 3 389.786 3.123 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1n1cccn1 ZINC000452016844 566923086 /nfs/dbraw/zinc/92/30/86/566923086.db2.gz PPSLMJSBPHXEBC-MISXGVKJSA-N -1 3 389.930 3.074 20 0 GGADHM Cc1c(Br)ccc2c1N(Cc1nc3c(cnn3C)c(=O)[n-]1)CCC2 ZINC000656600963 566923668 /nfs/dbraw/zinc/92/36/68/566923668.db2.gz APRYJQZHCUTQTO-UHFFFAOYSA-N -1 3 388.269 3.093 20 0 GGADHM COc1ccc(CNCc2nn(C)c3ccccc23)c(Br)c1[O-] ZINC000680626951 566923599 /nfs/dbraw/zinc/92/35/99/566923599.db2.gz IXORUSYSRPQVQH-UHFFFAOYSA-N -1 3 376.254 3.340 20 0 GGADHM CC(C)[C@@H]1N(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000583128767 566923962 /nfs/dbraw/zinc/92/39/62/566923962.db2.gz HCJAUTSGKVLKAI-KRWDZBQOSA-N -1 3 384.567 3.234 20 0 GGADHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000452031214 566924349 /nfs/dbraw/zinc/92/43/49/566924349.db2.gz KGTSFZVQWSCIAO-UHFFFAOYSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1ncc(CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)c(=O)[n-]1 ZINC000492146007 566924769 /nfs/dbraw/zinc/92/47/69/566924769.db2.gz YARIZYPYZMOURB-UHFFFAOYSA-N -1 3 389.612 3.367 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OCC(C)C)c(Cl)c1)[C@@H]1CCOC1 ZINC000656616922 566924740 /nfs/dbraw/zinc/92/47/40/566924740.db2.gz VTSNDCZAHGQOJW-CXAGYDPISA-N -1 3 391.917 3.168 20 0 GGADHM COc1cc(Cl)c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000563893705 566926569 /nfs/dbraw/zinc/92/65/69/566926569.db2.gz IIISMUZOMZSHKP-UHFFFAOYSA-N -1 3 386.832 3.420 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)c1c(F)cccc1Cl ZINC000543998163 566926714 /nfs/dbraw/zinc/92/67/14/566926714.db2.gz OMFFLJCKZBXTID-MRVPVSSYSA-N -1 3 391.251 3.271 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccon2)cc1Cl ZINC000543975618 566926754 /nfs/dbraw/zinc/92/67/54/566926754.db2.gz YUIDDZISAVWTHT-SSDOTTSWSA-N -1 3 395.662 3.139 20 0 GGADHM CCOc1c(Cl)cc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)cc1Cl ZINC000656628052 566926749 /nfs/dbraw/zinc/92/67/49/566926749.db2.gz JEVUQFIZQFPILI-YGRLFVJLSA-N -1 3 398.308 3.185 20 0 GGADHM CCOc1c(Cl)cc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)cc1Cl ZINC000656628051 566926812 /nfs/dbraw/zinc/92/68/12/566926812.db2.gz JEVUQFIZQFPILI-QMTHXVAHSA-N -1 3 398.308 3.185 20 0 GGADHM Cc1cc(C)c(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cn1 ZINC000452040046 566926915 /nfs/dbraw/zinc/92/69/15/566926915.db2.gz IMPARGPPPIUCRL-UHFFFAOYSA-N -1 3 378.347 3.215 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC[C@H]3CCCO3)nc(=O)c2c1C ZINC000492195760 566928235 /nfs/dbraw/zinc/92/82/35/566928235.db2.gz XDBQAVZXEJSVKY-GHMZBOCLSA-N -1 3 382.507 3.443 20 0 GGADHM Cc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)n1 ZINC000680715524 566928310 /nfs/dbraw/zinc/92/83/10/566928310.db2.gz DOAVCDQQWKVVDS-LLVKDONJSA-N -1 3 378.841 3.133 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)c1c(F)cccc1Cl ZINC000543998164 566928568 /nfs/dbraw/zinc/92/85/68/566928568.db2.gz OMFFLJCKZBXTID-QMMMGPOBSA-N -1 3 391.251 3.271 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c(C2CC2)cc1Cl ZINC000656631206 566928476 /nfs/dbraw/zinc/92/84/76/566928476.db2.gz HZJIOSGSBKROJT-PXAZEXFGSA-N -1 3 389.901 3.019 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)c(C2CC2)cc1Cl ZINC000656631216 566928694 /nfs/dbraw/zinc/92/86/94/566928694.db2.gz HZJIOSGSBKROJT-SJKOYZFVSA-N -1 3 389.901 3.019 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2ccc3cccc(Br)c3n2)on1 ZINC000611588682 566930217 /nfs/dbraw/zinc/93/02/17/566930217.db2.gz FZRHTAIKCPTMAY-UHFFFAOYSA-N -1 3 376.166 3.024 20 0 GGADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1ccc(Br)c2c1OCCC2 ZINC000429421548 566930964 /nfs/dbraw/zinc/93/09/64/566930964.db2.gz FLJAZWQOTNOOLA-UHFFFAOYSA-N -1 3 399.248 3.233 20 0 GGADHM O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cccc(Br)c1[O-] ZINC000519332970 566932251 /nfs/dbraw/zinc/93/22/51/566932251.db2.gz QUNUNUXKGAHPCR-UHFFFAOYSA-N -1 3 391.200 3.009 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC2CCCC2)cc1 ZINC000564007116 566935359 /nfs/dbraw/zinc/93/53/59/566935359.db2.gz VPSFLLQAAAMNIO-UHFFFAOYSA-N -1 3 388.555 3.039 20 0 GGADHM CCSc1cc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)ccn1 ZINC000544086263 566935665 /nfs/dbraw/zinc/93/56/65/566935665.db2.gz RMZPMHKHGCBGQS-UHFFFAOYSA-N -1 3 376.463 3.282 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)s1 ZINC000680855321 566936540 /nfs/dbraw/zinc/93/65/40/566936540.db2.gz KSQNJLBLSYJAPT-LURJTMIESA-N -1 3 396.387 3.302 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cs1 ZINC000583292039 566936673 /nfs/dbraw/zinc/93/66/73/566936673.db2.gz QUPRWLLFPJCKTA-UHFFFAOYSA-N -1 3 398.840 3.023 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)c1Cl ZINC000680858010 566936811 /nfs/dbraw/zinc/93/68/11/566936811.db2.gz SCZTUXIYQVPLTF-CQSZACIVSA-N -1 3 396.336 3.066 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c(Cl)c1Cl ZINC000544100094 566937292 /nfs/dbraw/zinc/93/72/92/566937292.db2.gz RCBVOZOOBJPAAC-GHMZBOCLSA-N -1 3 382.309 3.486 20 0 GGADHM Cc1ccc(Cl)c2sc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)nc21 ZINC000564013857 566937639 /nfs/dbraw/zinc/93/76/39/566937639.db2.gz PPUDCEZOHJZYLV-GFCCVEGCSA-N -1 3 389.930 3.161 20 0 GGADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000544094384 566938080 /nfs/dbraw/zinc/93/80/80/566938080.db2.gz SBNJENWZUKFZLO-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)s1 ZINC000680858982 566938447 /nfs/dbraw/zinc/93/84/47/566938447.db2.gz POMVAVOVUJLQOX-UHFFFAOYSA-N -1 3 375.475 3.371 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ncc(C)cc1Br)C1CCCCC1 ZINC000656729719 566939033 /nfs/dbraw/zinc/93/90/33/566939033.db2.gz BHOZLAWFHYGHHW-CQSZACIVSA-N -1 3 391.331 3.490 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Br)cc23)o1 ZINC000544100796 566939078 /nfs/dbraw/zinc/93/90/78/566939078.db2.gz LPNZYKZWSNLNSE-UHFFFAOYSA-N -1 3 383.267 3.353 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)sc1Br ZINC000544104695 566939536 /nfs/dbraw/zinc/93/95/36/566939536.db2.gz KQMOSGHBGGOYQY-QWRGUYRKSA-N -1 3 382.345 3.303 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1cc(C)c(F)cc1Cl ZINC000471237388 566939503 /nfs/dbraw/zinc/93/95/03/566939503.db2.gz BCYNNYNEVSJMBA-UHFFFAOYSA-N -1 3 384.816 3.353 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c(Cl)c1Cl ZINC000544100097 566939456 /nfs/dbraw/zinc/93/94/56/566939456.db2.gz RCBVOZOOBJPAAC-WDEREUQCSA-N -1 3 382.309 3.486 20 0 GGADHM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000519411415 566939592 /nfs/dbraw/zinc/93/95/92/566939592.db2.gz ZKWQTEKZSMWGQZ-UHFFFAOYSA-N -1 3 399.310 3.208 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]1F)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000564055959 566940233 /nfs/dbraw/zinc/94/02/33/566940233.db2.gz HJZFAPWQTXSMMO-UONOGXRCSA-N -1 3 388.530 3.370 20 0 GGADHM CC1CCC(O)(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])CC1 ZINC000583328096 566940456 /nfs/dbraw/zinc/94/04/56/566940456.db2.gz SXXXECJITZVQEX-OKZIQPOMSA-N -1 3 382.298 3.202 20 0 GGADHM COc1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000656731947 566941232 /nfs/dbraw/zinc/94/12/32/566941232.db2.gz SBQWSUHUSIJYQN-UHFFFAOYSA-N -1 3 378.347 3.233 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000519477233 566941409 /nfs/dbraw/zinc/94/14/09/566941409.db2.gz RROCGDYQMQLPBU-UHFFFAOYSA-N -1 3 375.837 3.357 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)cc1Cl ZINC000519465241 566941739 /nfs/dbraw/zinc/94/17/39/566941739.db2.gz VPUMRUUAKHBPBU-OAHLLOKOSA-N -1 3 398.308 3.214 20 0 GGADHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cccc(Br)c1 ZINC000429640193 566942208 /nfs/dbraw/zinc/94/22/08/566942208.db2.gz WWNWGIJYJJNSOT-QMMMGPOBSA-N -1 3 389.200 3.089 20 0 GGADHM Cc1nccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1Cl ZINC000680951494 566943460 /nfs/dbraw/zinc/94/34/60/566943460.db2.gz ZMSOUJOIPFIVDX-UHFFFAOYSA-N -1 3 379.638 3.168 20 0 GGADHM CN1CCC[C@@]2(CCN(C(=O)c3cc(Br)cc(Cl)c3[O-])C2)C1 ZINC000452146190 566943401 /nfs/dbraw/zinc/94/34/01/566943401.db2.gz FRSCKIILUJAPSB-MRXNPFEDSA-N -1 3 387.705 3.366 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cncc(Cl)c1Br)C1CCCC1 ZINC000656737768 566944180 /nfs/dbraw/zinc/94/41/80/566944180.db2.gz OLLIWIMTOSFFRR-GFCCVEGCSA-N -1 3 397.722 3.444 20 0 GGADHM Cc1cccnc1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493279139 566945132 /nfs/dbraw/zinc/94/51/32/566945132.db2.gz HGQYOBVPFURZJV-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C ZINC000493210394 566945754 /nfs/dbraw/zinc/94/57/54/566945754.db2.gz LTTGJACAPKMLGF-MRVPVSSYSA-N -1 3 398.706 3.111 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCCOc1ccc(Cl)cc1C ZINC000471306692 566945928 /nfs/dbraw/zinc/94/59/28/566945928.db2.gz RGOGOMZBVVCFBT-UHFFFAOYSA-N -1 3 375.899 3.466 20 0 GGADHM O=c1nc(CS(=O)(=O)c2ccccc2)[n-]c2sc3c(c21)CCCS3 ZINC000564126641 566946465 /nfs/dbraw/zinc/94/64/65/566946465.db2.gz ZSFBBCXVQKIHKO-UHFFFAOYSA-N -1 3 378.500 3.409 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CCN(C2CC2)C1 ZINC000452169870 566946518 /nfs/dbraw/zinc/94/65/18/566946518.db2.gz GPYUTQORUOKKFL-JTQLQIEISA-N -1 3 387.705 3.364 20 0 GGADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cccc1S(=O)(=O)NC1CC1 ZINC000564109437 566946746 /nfs/dbraw/zinc/94/67/46/566946746.db2.gz JDXGMFGEZUWYKH-UHFFFAOYSA-N -1 3 380.853 3.047 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cnc(OCC(C)C)c(Cl)c2)s1 ZINC000611965198 566947141 /nfs/dbraw/zinc/94/71/41/566947141.db2.gz RDNNBNKWTIMOSU-UHFFFAOYSA-N -1 3 384.845 3.050 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)N2CCCCC2)s1 ZINC000544188275 566947305 /nfs/dbraw/zinc/94/73/05/566947305.db2.gz WEAISUWUEFSKFR-LLVKDONJSA-N -1 3 395.388 3.362 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)s1 ZINC000681014066 566947348 /nfs/dbraw/zinc/94/73/48/566947348.db2.gz FLWJWJUYGNCWSJ-GWCFXTLKSA-N -1 3 384.548 3.363 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCCN1C ZINC000471313638 566947573 /nfs/dbraw/zinc/94/75/73/566947573.db2.gz HVJMASNYXKHCKJ-NOZJJQNGSA-N -1 3 383.880 3.024 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)n1C1CC1 ZINC000493502369 566948843 /nfs/dbraw/zinc/94/88/43/566948843.db2.gz LGUGPRQOZUQHGG-UHFFFAOYSA-N -1 3 380.857 3.108 20 0 GGADHM CSCc1ccc(-c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)cc1 ZINC000544234172 566948794 /nfs/dbraw/zinc/94/87/94/566948794.db2.gz KFCQIQSBEXXOOF-UHFFFAOYSA-N -1 3 376.463 3.033 20 0 GGADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1(C)C ZINC000429862980 566959916 /nfs/dbraw/zinc/95/99/16/566959916.db2.gz CAAGKHTUTAIZDA-RYUDHWBXSA-N -1 3 382.707 3.194 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(Br)s1 ZINC000471404534 566949787 /nfs/dbraw/zinc/94/97/87/566949787.db2.gz IIONKAZWASTAQO-UHFFFAOYSA-N -1 3 389.296 3.443 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429859502 566960088 /nfs/dbraw/zinc/96/00/88/566960088.db2.gz JKYLKMHKZYPARU-MWLCHTKSSA-N -1 3 384.723 3.178 20 0 GGADHM COC[C@@H]1CCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000681088716 566950954 /nfs/dbraw/zinc/95/09/54/566950954.db2.gz KKXZRHCUFXJNAO-GFCCVEGCSA-N -1 3 393.281 3.179 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)OC ZINC000493576732 566951418 /nfs/dbraw/zinc/95/14/18/566951418.db2.gz WMVLFTYBFGFBNP-CYBMUJFWSA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1cccc(Br)c1F ZINC000564159671 566951903 /nfs/dbraw/zinc/95/19/03/566951903.db2.gz DLZFESAYYTVUPT-LBPRGKRZSA-N -1 3 386.242 3.260 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)s1 ZINC000583437746 566952510 /nfs/dbraw/zinc/95/25/10/566952510.db2.gz CRIYZZNPZHPWEQ-CHWSQXEVSA-N -1 3 390.546 3.012 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1cc(Cl)ccc1Br ZINC000429819394 566952658 /nfs/dbraw/zinc/95/26/58/566952658.db2.gz KKZJGFVYDNZXRK-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1ccc(Cl)cc1Cl ZINC000429825069 566952733 /nfs/dbraw/zinc/95/27/33/566952733.db2.gz MLPXFTJUMOMNMA-UHFFFAOYSA-N -1 3 381.668 3.399 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000583462634 566953159 /nfs/dbraw/zinc/95/31/59/566953159.db2.gz RKJQYPXLYFTRDT-NSHDSACASA-N -1 3 382.869 3.347 20 0 GGADHM COc1cc(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)cc(OC)c1[O-] ZINC000452236356 566954393 /nfs/dbraw/zinc/95/43/93/566954393.db2.gz REZOWNOFUVCSGG-LBPRGKRZSA-N -1 3 376.356 3.208 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)oc1C ZINC000429828501 566954725 /nfs/dbraw/zinc/95/47/25/566954725.db2.gz SPYKIEXLQGOCIH-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1ccc(Cl)cc1Cl ZINC000429828223 566954763 /nfs/dbraw/zinc/95/47/63/566954763.db2.gz DYXROMZJKYVGQR-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cccc(Br)c1F ZINC000544347594 566955716 /nfs/dbraw/zinc/95/57/16/566955716.db2.gz LXIUUJXAQRCNKA-LLVKDONJSA-N -1 3 380.279 3.216 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCC1 ZINC000544349034 566955781 /nfs/dbraw/zinc/95/57/81/566955781.db2.gz WTWJZPLFXFJCFR-NSHDSACASA-N -1 3 394.306 3.055 20 0 GGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000493824633 566955880 /nfs/dbraw/zinc/95/58/80/566955880.db2.gz SXOSUWVXURVPTH-GXTWGEPZSA-N -1 3 393.958 3.175 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544352472 566956027 /nfs/dbraw/zinc/95/60/27/566956027.db2.gz FGZWFDFYMOQBCK-ZYHUDNBSSA-N -1 3 380.279 3.070 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)c1 ZINC000612138409 566956067 /nfs/dbraw/zinc/95/60/67/566956067.db2.gz SLDBMPGCUCSXOF-UHFFFAOYSA-N -1 3 381.828 3.373 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544350882 566956375 /nfs/dbraw/zinc/95/63/75/566956375.db2.gz KVAXQRACYTTYOO-QWRGUYRKSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCCN1C ZINC000493795745 566956953 /nfs/dbraw/zinc/95/69/53/566956953.db2.gz NVXKSFCDTRQZCG-XJKSGUPXSA-N -1 3 386.945 3.280 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1cccc(Cl)c1Br ZINC000493816898 566957197 /nfs/dbraw/zinc/95/71/97/566957197.db2.gz JLJVZRFFCXLMRJ-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCCN1C ZINC000493795734 566957228 /nfs/dbraw/zinc/95/72/28/566957228.db2.gz NVXKSFCDTRQZCG-BBRMVZONSA-N -1 3 386.945 3.280 20 0 GGADHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCCN1C ZINC000493795742 566957258 /nfs/dbraw/zinc/95/72/58/566957258.db2.gz NVXKSFCDTRQZCG-CJNGLKHVSA-N -1 3 386.945 3.280 20 0 GGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493841573 566957321 /nfs/dbraw/zinc/95/73/21/566957321.db2.gz GBFWAVDAAZLCIK-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429854041 566957386 /nfs/dbraw/zinc/95/73/86/566957386.db2.gz NNRBGGWCUMWCGU-ZSMADZGOSA-N -1 3 384.350 3.352 20 0 GGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544369775 566957524 /nfs/dbraw/zinc/95/75/24/566957524.db2.gz AWSQIEKMCGXRRX-SNVBAGLBSA-N -1 3 382.295 3.054 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429847840 566957671 /nfs/dbraw/zinc/95/76/71/566957671.db2.gz PDCTYNCMRMEQRL-MWLCHTKSSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429850960 566957840 /nfs/dbraw/zinc/95/78/40/566957840.db2.gz XVZPEAJYAOFVIX-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429854040 566958124 /nfs/dbraw/zinc/95/81/24/566958124.db2.gz NNRBGGWCUMWCGU-OABGYEMISA-N -1 3 384.350 3.352 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCOC1 ZINC000493888800 566958178 /nfs/dbraw/zinc/95/81/78/566958178.db2.gz PTIYWIQRNQFLFX-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493884232 566958341 /nfs/dbraw/zinc/95/83/41/566958341.db2.gz XDVJMLKUJWOTBS-GXSJLCMTSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)(C)C ZINC000493896500 566958397 /nfs/dbraw/zinc/95/83/97/566958397.db2.gz GVUXFDZOZOVURU-LLVKDONJSA-N -1 3 384.723 3.442 20 0 GGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544369774 566958505 /nfs/dbraw/zinc/95/85/05/566958505.db2.gz AWSQIEKMCGXRRX-JTQLQIEISA-N -1 3 382.295 3.054 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCOC1 ZINC000493888803 566958690 /nfs/dbraw/zinc/95/86/90/566958690.db2.gz PTIYWIQRNQFLFX-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1cccc(Cl)c1Br ZINC000493887341 566958810 /nfs/dbraw/zinc/95/88/10/566958810.db2.gz CSXGYKUOTTXTIP-SNVBAGLBSA-N -1 3 394.674 3.098 20 0 GGADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1(C)C ZINC000493887884 566958906 /nfs/dbraw/zinc/95/89/06/566958906.db2.gz IHKXKTMISBKZBK-WDEREUQCSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1(C)C ZINC000493887881 566959049 /nfs/dbraw/zinc/95/90/49/566959049.db2.gz IHKXKTMISBKZBK-GHMZBOCLSA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCCO1 ZINC000493893263 566959068 /nfs/dbraw/zinc/95/90/68/566959068.db2.gz DQPDYJNCKQXYIQ-KOLCDFICSA-N -1 3 382.707 3.338 20 0 GGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493896431 566959119 /nfs/dbraw/zinc/95/91/19/566959119.db2.gz GIUHCOTVRIMFKH-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM CC1(C)CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)(C(N)=O)CC1 ZINC000429863386 566959482 /nfs/dbraw/zinc/95/94/82/566959482.db2.gz CCOQFTPHQZTNRM-UHFFFAOYSA-N -1 3 379.309 3.096 20 0 GGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471555524 566959563 /nfs/dbraw/zinc/95/95/63/566959563.db2.gz NVNBOHBLQNODMD-HZMBPMFUSA-N -1 3 378.416 3.385 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC[C@H]1O ZINC000493917643 566960208 /nfs/dbraw/zinc/96/02/08/566960208.db2.gz SVKXVZIBRUWQER-TZMCWYRMSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1cccc(Cl)c1Br ZINC000493908633 566960529 /nfs/dbraw/zinc/96/05/29/566960529.db2.gz SFWRZOYVPWKPPE-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1C1CC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000493917636 566960567 /nfs/dbraw/zinc/96/05/67/566960567.db2.gz SVBAHINNOWSEQT-CRAIPNDOSA-N -1 3 385.913 3.365 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2F)cc(C(F)(F)F)c1 ZINC000471562514 566960940 /nfs/dbraw/zinc/96/09/40/566960940.db2.gz IMABXCWFDOMEHE-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM O=S(=O)([N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccncc1 ZINC000656872997 566961173 /nfs/dbraw/zinc/96/11/73/566961173.db2.gz AGSKNFYXEMEOTA-IUCAKERBSA-N -1 3 376.322 3.269 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@H]1C1CC1 ZINC000429876371 566961273 /nfs/dbraw/zinc/96/12/73/566961273.db2.gz GWNNMODFOZUUSP-KBPBESRZSA-N -1 3 394.718 3.338 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1)C1CCCC1 ZINC000656868834 566961515 /nfs/dbraw/zinc/96/15/15/566961515.db2.gz ODKLNXCWKHDWSS-KRWDZBQOSA-N -1 3 380.535 3.435 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCCO1 ZINC000429869559 566961503 /nfs/dbraw/zinc/96/15/03/566961503.db2.gz QYODZNIPBRTVRV-CABZTGNLSA-N -1 3 382.707 3.338 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCCC3CCCCC3)cc2C1 ZINC000656874375 566962867 /nfs/dbraw/zinc/96/28/67/566962867.db2.gz LDDXBQZPKYMWQP-UHFFFAOYSA-N -1 3 384.567 3.292 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493938035 566962753 /nfs/dbraw/zinc/96/27/53/566962753.db2.gz VOKCJIWFTVUYDO-ZDUSSCGKSA-N -1 3 398.750 3.424 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493938034 566962762 /nfs/dbraw/zinc/96/27/62/566962762.db2.gz VOKCJIWFTVUYDO-CYBMUJFWSA-N -1 3 398.750 3.424 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)[C@H]2CCCO[C@@H]21 ZINC000681255472 566962797 /nfs/dbraw/zinc/96/27/97/566962797.db2.gz KOUTZQYXCZRIHF-HONMWMINSA-N -1 3 392.290 3.070 20 0 GGADHM O=C(Nc1cccc(I)c1)c1c[n-]nc1-c1ccncc1 ZINC000471581973 566963102 /nfs/dbraw/zinc/96/31/02/566963102.db2.gz LVQGFWHBYYBVAP-UHFFFAOYSA-N -1 3 390.184 3.329 20 0 GGADHM O=C(Nc1cccc(I)c1)c1cn[n-]c1-c1ccncc1 ZINC000471581973 566963107 /nfs/dbraw/zinc/96/31/07/566963107.db2.gz LVQGFWHBYYBVAP-UHFFFAOYSA-N -1 3 390.184 3.329 20 0 GGADHM CCCCN(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493953733 566963695 /nfs/dbraw/zinc/96/36/95/566963695.db2.gz WLFCDUNOLJMDJI-UHFFFAOYSA-N -1 3 383.739 3.113 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429899209 566964091 /nfs/dbraw/zinc/96/40/91/566964091.db2.gz IDVHXQZKWFYFDZ-JTQLQIEISA-N -1 3 398.269 3.480 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429898486 566964344 /nfs/dbraw/zinc/96/43/44/566964344.db2.gz GUVRYPMTDKGJJM-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1F ZINC000583577924 566965480 /nfs/dbraw/zinc/96/54/80/566965480.db2.gz SQVIKBALTVKSNO-UHFFFAOYSA-N -1 3 382.766 3.414 20 0 GGADHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429910655 566965492 /nfs/dbraw/zinc/96/54/92/566965492.db2.gz TVMKQDNKPCUBIA-LLVKDONJSA-N -1 3 395.750 3.255 20 0 GGADHM Cn1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000429911704 566966172 /nfs/dbraw/zinc/96/61/72/566966172.db2.gz XZPWGRMTBUZOBG-UHFFFAOYSA-N -1 3 384.288 3.401 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1cnn(C)c1 ZINC000471616052 566966147 /nfs/dbraw/zinc/96/61/47/566966147.db2.gz BEBDCVZUIMEIGG-SSDOTTSWSA-N -1 3 396.669 3.015 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCO1 ZINC000656886409 566966277 /nfs/dbraw/zinc/96/62/77/566966277.db2.gz USPXXTXHWDREJH-CYBMUJFWSA-N -1 3 392.315 3.085 20 0 GGADHM CN(CCc1cccc(Br)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000519773607 566966986 /nfs/dbraw/zinc/96/69/86/566966986.db2.gz KTARDFFNPHYQFZ-UHFFFAOYSA-N -1 3 376.254 3.137 20 0 GGADHM Cc1cccc(CSCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000494010779 566967083 /nfs/dbraw/zinc/96/70/83/566967083.db2.gz LLSGOAYCOUIPCI-UHFFFAOYSA-N -1 3 382.482 3.378 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656893083 566967386 /nfs/dbraw/zinc/96/73/86/566967386.db2.gz AUDDMODPLIANEY-ZBFHGGJFSA-N -1 3 384.567 3.290 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)CCc1ccccc1Cl)c1nc(C2CC2)no1 ZINC000656893944 566967680 /nfs/dbraw/zinc/96/76/80/566967680.db2.gz KBMVSOLUDAERFB-HNNXBMFYSA-N -1 3 383.901 3.460 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656893080 566967701 /nfs/dbraw/zinc/96/77/01/566967701.db2.gz AUDDMODPLIANEY-GDBMZVCRSA-N -1 3 384.567 3.290 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000429933132 566968029 /nfs/dbraw/zinc/96/80/29/566968029.db2.gz LTOQSRCWYHHLLF-AWEZNQCLSA-N -1 3 389.257 3.001 20 0 GGADHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCCN1C ZINC000471627698 566968055 /nfs/dbraw/zinc/96/80/55/566968055.db2.gz KKHUCHZIOHQIFE-UFBFGSQYSA-N -1 3 399.713 3.003 20 0 GGADHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656895402 566968662 /nfs/dbraw/zinc/96/86/62/566968662.db2.gz YSDTXCIJMNBIJV-ZBFHGGJFSA-N -1 3 384.567 3.290 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC[C@H](C(C)C)C3)cc2C1 ZINC000656897441 566968782 /nfs/dbraw/zinc/96/87/82/566968782.db2.gz LOUHRDPFHCFBPM-GOEBONIOSA-N -1 3 384.567 3.146 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3nnc(C4CC4)s3)s2)cs1 ZINC000583613602 566969148 /nfs/dbraw/zinc/96/91/48/566969148.db2.gz WPRXZBFBRCOTID-UHFFFAOYSA-N -1 3 398.560 3.387 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCSCc2ccccc2)ccc1F ZINC000471648716 566969434 /nfs/dbraw/zinc/96/94/34/566969434.db2.gz WCTBCQFTLYBVIV-UHFFFAOYSA-N -1 3 382.482 3.459 20 0 GGADHM C[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000544569937 566969960 /nfs/dbraw/zinc/96/99/60/566969960.db2.gz KGPKASYRGRWCLZ-CQSZACIVSA-N -1 3 378.519 3.347 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429964052 566970898 /nfs/dbraw/zinc/97/08/98/566970898.db2.gz METPSGPEENBWMT-DOMZBBRYSA-N -1 3 395.301 3.236 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429964055 566970928 /nfs/dbraw/zinc/97/09/28/566970928.db2.gz METPSGPEENBWMT-WFASDCNBSA-N -1 3 395.301 3.236 20 0 GGADHM CN(Cc1cccc(F)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429964344 566971291 /nfs/dbraw/zinc/97/12/91/566971291.db2.gz GDDPROUEDBFIPV-UHFFFAOYSA-N -1 3 377.217 3.322 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c1 ZINC000564380466 566971311 /nfs/dbraw/zinc/97/13/11/566971311.db2.gz QVHAFTDOCCGBIZ-SECBINFHSA-N -1 3 377.896 3.215 20 0 GGADHM O=S(=O)(CCc1ccccc1Cl)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000656912994 566971861 /nfs/dbraw/zinc/97/18/61/566971861.db2.gz ACJADIMOTSWYIH-UHFFFAOYSA-N -1 3 384.832 3.477 20 0 GGADHM CCOc1ccc(CC[N-]S(=O)(=O)c2sccc2OC)cc1OCC ZINC000471702829 566972547 /nfs/dbraw/zinc/97/25/47/566972547.db2.gz XEMMSSZDJXREQU-UHFFFAOYSA-N -1 3 385.507 3.075 20 0 GGADHM CSCC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nnc2ccccn21 ZINC000564400485 566972707 /nfs/dbraw/zinc/97/27/07/566972707.db2.gz PSNVJRQDKWMXIC-AWEZNQCLSA-N -1 3 376.869 3.313 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)C(C)(C)CO)cc1Cl ZINC000564402830 566973250 /nfs/dbraw/zinc/97/32/50/566973250.db2.gz BICRDCCEBLNZTM-CQSZACIVSA-N -1 3 382.309 3.077 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000656915927 566973565 /nfs/dbraw/zinc/97/35/65/566973565.db2.gz YRGQRVSXTYFIDO-LLVKDONJSA-N -1 3 386.461 3.177 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000656915929 566973787 /nfs/dbraw/zinc/97/37/87/566973787.db2.gz YRGQRVSXTYFIDO-NSHDSACASA-N -1 3 386.461 3.177 20 0 GGADHM CC[C@@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471730510 566974160 /nfs/dbraw/zinc/97/41/60/566974160.db2.gz WGFBVOVPAXZWSW-LLVKDONJSA-N -1 3 378.416 3.339 20 0 GGADHM CC(C)(N)c1nocc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000583703736 566974435 /nfs/dbraw/zinc/97/44/35/566974435.db2.gz IAYPYLYIMIRBSL-UHFFFAOYSA-N -1 3 377.857 3.216 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)Cc2cc(F)ccc2Br)s1 ZINC000656922499 566974877 /nfs/dbraw/zinc/97/48/77/566974877.db2.gz VLWBMTACSQUDII-UHFFFAOYSA-N -1 3 393.303 3.227 20 0 GGADHM CN(C[C@@H]1CCCN(C)C1)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000544637660 566974730 /nfs/dbraw/zinc/97/47/30/566974730.db2.gz KNANTFYFZHVLDB-GFCCVEGCSA-N -1 3 379.917 3.086 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Br)C(C)(C)C ZINC000656923641 566974962 /nfs/dbraw/zinc/97/49/62/566974962.db2.gz GCKBVLHNSYYHMN-ZDUSSCGKSA-N -1 3 382.295 3.069 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Br)C(C)(C)C ZINC000656923638 566975239 /nfs/dbraw/zinc/97/52/39/566975239.db2.gz GCKBVLHNSYYHMN-CYBMUJFWSA-N -1 3 382.295 3.069 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc(Cl)c1Cl ZINC000519859555 566975418 /nfs/dbraw/zinc/97/54/18/566975418.db2.gz VIANTTRQOCVIII-DYVFJYSZSA-N -1 3 386.300 3.438 20 0 GGADHM Cc1nc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)sc1C ZINC000471763890 566975601 /nfs/dbraw/zinc/97/56/01/566975601.db2.gz VMZUEHOQHNXDOZ-UHFFFAOYSA-N -1 3 393.412 3.403 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc(Cl)c1Cl ZINC000519859552 566975739 /nfs/dbraw/zinc/97/57/39/566975739.db2.gz VIANTTRQOCVIII-CXAGYDPISA-N -1 3 386.300 3.438 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)s1 ZINC000430009321 566976383 /nfs/dbraw/zinc/97/63/83/566976383.db2.gz WTDKEARRZAVMRY-WCQYABFASA-N -1 3 387.324 3.357 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cs1 ZINC000656929552 566977057 /nfs/dbraw/zinc/97/70/57/566977057.db2.gz FPTZYOBXHVQTCE-VIFPVBQESA-N -1 3 378.878 3.263 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000471786780 566977884 /nfs/dbraw/zinc/97/78/84/566977884.db2.gz KYFPQQYHKXFOOY-AWEZNQCLSA-N -1 3 397.909 3.212 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)s1 ZINC000656934003 566977970 /nfs/dbraw/zinc/97/79/70/566977970.db2.gz UDGLYESIZUYFCF-UHFFFAOYSA-N -1 3 377.894 3.248 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2ncoc2C2CC2)nc1C(F)(F)F ZINC000564456735 566978176 /nfs/dbraw/zinc/97/81/76/566978176.db2.gz ATRXESQFHNWGBN-UHFFFAOYSA-N -1 3 375.328 3.456 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000471793653 566978636 /nfs/dbraw/zinc/97/86/36/566978636.db2.gz PCCOYSXSQXAAQW-UKRRQHHQSA-N -1 3 391.530 3.112 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2)c1Cl ZINC000519930803 566978977 /nfs/dbraw/zinc/97/89/77/566978977.db2.gz RVJCATLKKFOJGQ-VIFPVBQESA-N -1 3 391.242 3.217 20 0 GGADHM CC[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H](CC)O1 ZINC000583746768 566979925 /nfs/dbraw/zinc/97/99/25/566979925.db2.gz OGLIGJQIWHFRKF-STQMWFEESA-N -1 3 393.281 3.320 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(OC(F)F)cc1 ZINC000430090361 566980817 /nfs/dbraw/zinc/98/08/17/566980817.db2.gz NJILHWYXXGHCNT-UHFFFAOYSA-N -1 3 382.164 3.372 20 0 GGADHM O=C(COc1ccccc1Cl)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430101897 566981220 /nfs/dbraw/zinc/98/12/20/566981220.db2.gz XHWAWDCCHLYVOF-UHFFFAOYSA-N -1 3 380.629 3.190 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)on1 ZINC000471877636 566982155 /nfs/dbraw/zinc/98/21/55/566982155.db2.gz SJSXZZPENKCTLF-KRWDZBQOSA-N -1 3 377.853 3.240 20 0 GGADHM CN(CCC(F)(F)F)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471853745 566982260 /nfs/dbraw/zinc/98/22/60/566982260.db2.gz UQXQLOAUYLIFRQ-UHFFFAOYSA-N -1 3 392.321 3.101 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C)CCO[C@@H]1C ZINC000656956411 566984418 /nfs/dbraw/zinc/98/44/18/566984418.db2.gz OZMPOSHVNCTVMR-IAQYHMDHSA-N -1 3 392.315 3.084 20 0 GGADHM CC[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000544714454 566985497 /nfs/dbraw/zinc/98/54/97/566985497.db2.gz FWDLUWZAPGWCGI-LBPRGKRZSA-N -1 3 393.347 3.221 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F)C1CCCC1 ZINC000656963740 566985870 /nfs/dbraw/zinc/98/58/70/566985870.db2.gz CTYOOBXGBAIEMU-HZPDHXFCSA-N -1 3 379.444 3.457 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccncc1C ZINC000656964240 566986134 /nfs/dbraw/zinc/98/61/34/566986134.db2.gz BYHMURBSSFFOGL-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000494307369 566987024 /nfs/dbraw/zinc/98/70/24/566987024.db2.gz FJQJZQUIWBENPR-QMMMGPOBSA-N -1 3 375.210 3.244 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(C(F)(F)F)cs1)C1CCCC1 ZINC000656975378 566987792 /nfs/dbraw/zinc/98/77/92/566987792.db2.gz LYNRIPKRTSHTNG-ONGXEEELSA-N -1 3 386.461 3.348 20 0 GGADHM CCSc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccn1 ZINC000430131933 566987830 /nfs/dbraw/zinc/98/78/30/566987830.db2.gz WHTYFXOJBUBDRR-UHFFFAOYSA-N -1 3 377.267 3.278 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)ccc1[O-] ZINC000430135125 566988380 /nfs/dbraw/zinc/98/83/80/566988380.db2.gz FHZSCMCJEJTFJS-AWEZNQCLSA-N -1 3 378.266 3.044 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)c2nccn21 ZINC000583853509 566989088 /nfs/dbraw/zinc/98/90/88/566989088.db2.gz IQXPBTOLFNHURG-WPRPVWTQSA-N -1 3 390.690 3.283 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)ccc1[O-] ZINC000430140403 566989261 /nfs/dbraw/zinc/98/92/61/566989261.db2.gz TZHPWIRNXZUTON-CQSZACIVSA-N -1 3 378.266 3.044 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2C1 ZINC000656978090 566989639 /nfs/dbraw/zinc/98/96/39/566989639.db2.gz DPIAZIIDPKRPIK-IPYPFGDCSA-N -1 3 384.567 3.003 20 0 GGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](CO)Cc2ccccc2Br)c1 ZINC000430142946 566991127 /nfs/dbraw/zinc/99/11/27/566991127.db2.gz BEIZYZVNEFGXFY-ZDUSSCGKSA-N -1 3 378.266 3.044 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(OC)c([O-])c2Br)[C@H]1C(C)C ZINC000430143996 566991515 /nfs/dbraw/zinc/99/15/15/566991515.db2.gz CXIAPHUKHCFNFZ-WFASDCNBSA-N -1 3 386.286 3.183 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000564606708 566991983 /nfs/dbraw/zinc/99/19/83/566991983.db2.gz YXBSTHJZFFEBMW-SNVBAGLBSA-N -1 3 375.343 3.299 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO)C1CCCCC1 ZINC000656990973 566992579 /nfs/dbraw/zinc/99/25/79/566992579.db2.gz QFAKSQCDQVWZGL-DOTOQJQBSA-N -1 3 389.583 3.322 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)ccn1 ZINC000656997128 566994389 /nfs/dbraw/zinc/99/43/89/566994389.db2.gz MPFYOMPWFDHCMK-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM Cc1nc(C(F)(F)F)ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430168511 566995178 /nfs/dbraw/zinc/99/51/78/566995178.db2.gz RQNVCVZAMXGUHX-UHFFFAOYSA-N -1 3 399.170 3.493 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1sccc1OC(F)F ZINC000430166237 566995334 /nfs/dbraw/zinc/99/53/34/566995334.db2.gz NXTUSSNFESJOGF-UHFFFAOYSA-N -1 3 388.193 3.434 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC ZINC000657002651 566996309 /nfs/dbraw/zinc/99/63/09/566996309.db2.gz HXTRRMLHYSVTCO-CHWSQXEVSA-N -1 3 392.315 3.084 20 0 GGADHM CC(C)OC(=O)CC[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000472036177 566996684 /nfs/dbraw/zinc/99/66/84/566996684.db2.gz BQECYSGVMCMRIH-NSHDSACASA-N -1 3 387.274 3.074 20 0 GGADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000494387213 566996805 /nfs/dbraw/zinc/99/68/05/566996805.db2.gz RFFZOHZHPVWPIH-QMMMGPOBSA-N -1 3 375.210 3.244 20 0 GGADHM Cc1cc(N2CC[C@H](NCc3cc([O-])cc(F)c3)C2=O)ccc1Br ZINC000472048326 566996881 /nfs/dbraw/zinc/99/68/81/566996881.db2.gz PPTIRQJULVQCRK-KRWDZBQOSA-N -1 3 393.256 3.497 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1cccc(Cl)c1F)CCC(F)(F)F ZINC000494390093 566997323 /nfs/dbraw/zinc/99/73/23/566997323.db2.gz BQFOXEBULGKIRY-UHFFFAOYSA-N -1 3 376.803 3.032 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1)C1CCCC1 ZINC000657007663 566997644 /nfs/dbraw/zinc/99/76/44/566997644.db2.gz KJZDPCRXTAXAPF-DOTOQJQBSA-N -1 3 387.567 3.076 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)c3cccc(C)c3)cc2C1 ZINC000657007657 566997741 /nfs/dbraw/zinc/99/77/41/566997741.db2.gz KCXWRKRDWCEUHP-ZDUSSCGKSA-N -1 3 378.519 3.001 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)[C@H]3CCC[C@H](C)C3)cc2C1 ZINC000657007645 566998002 /nfs/dbraw/zinc/99/80/02/566998002.db2.gz JHRIAHHEGDVGIP-YDHLFZDLSA-N -1 3 384.567 3.146 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C1CCCC1 ZINC000657011950 566998017 /nfs/dbraw/zinc/99/80/17/566998017.db2.gz QFHHRBJCFZRWJM-INIZCTEOSA-N -1 3 384.567 3.290 20 0 GGADHM Cc1csc(N(C)C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000472082090 566998085 /nfs/dbraw/zinc/99/80/85/566998085.db2.gz FLNJSPNKRKLLHW-UHFFFAOYSA-N -1 3 393.412 3.118 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC(C)(C)C3=CCCC3)cc2C1 ZINC000657009079 566998159 /nfs/dbraw/zinc/99/81/59/566998159.db2.gz MYVSKZNPYHRVEX-UHFFFAOYSA-N -1 3 382.551 3.068 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)O1 ZINC000657009628 566998260 /nfs/dbraw/zinc/99/82/60/566998260.db2.gz QRKAVAHFDAYAPC-AAEUAGOBSA-N -1 3 392.315 3.084 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)C ZINC000494410296 566998460 /nfs/dbraw/zinc/99/84/60/566998460.db2.gz JPBXRWLHUKZTBF-NSHDSACASA-N -1 3 384.723 3.442 20 0 GGADHM Cc1ccc([O-])c(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000430181688 566998959 /nfs/dbraw/zinc/99/89/59/566998959.db2.gz WLMPJSXSPXXEOO-CQSZACIVSA-N -1 3 378.266 3.044 20 0 GGADHM CN1CC=C(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000544836207 566998972 /nfs/dbraw/zinc/99/89/72/566998972.db2.gz WNQXHVWOWIEXPD-UHFFFAOYSA-N -1 3 383.926 3.004 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)c1 ZINC000544837415 566999487 /nfs/dbraw/zinc/99/94/87/566999487.db2.gz XYEDFHQEYOEUFH-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000544837415 566999494 /nfs/dbraw/zinc/99/94/94/566999494.db2.gz XYEDFHQEYOEUFH-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000681689332 566999410 /nfs/dbraw/zinc/99/94/10/566999410.db2.gz XOURTIQFFGVYNW-YPMHNXCESA-N -1 3 395.855 3.221 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)s1 ZINC000681689820 566999847 /nfs/dbraw/zinc/99/98/47/566999847.db2.gz REODBQSVMUOHHI-VIFPVBQESA-N -1 3 390.889 3.216 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000657019377 566999987 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Cc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000520394518 567003546 /nfs/dbraw/zinc/00/35/46/567003546.db2.gz OBQVEKQKXKJEJA-ZDUSSCGKSA-N -1 3 375.266 3.472 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CC(C)(C)c1ccc(OC)c(OC)c1 ZINC000472116503 567003704 /nfs/dbraw/zinc/00/37/04/567003704.db2.gz YMCNNXJUYHIXSZ-UHFFFAOYSA-N -1 3 385.507 3.030 20 0 GGADHM CC1(C)CCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000472149759 567004551 /nfs/dbraw/zinc/00/45/51/567004551.db2.gz CYZOTECXEXAOAN-UHFFFAOYSA-N -1 3 378.416 3.339 20 0 GGADHM C[C@H]1SCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)[C@@H]1C ZINC000472164907 567004958 /nfs/dbraw/zinc/00/49/58/567004958.db2.gz ZEDLGTQUVXRWQM-NXEZZACHSA-N -1 3 396.456 3.043 20 0 GGADHM CCC[C@H]1SCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472152342 567005222 /nfs/dbraw/zinc/00/52/22/567005222.db2.gz HKKIKYRQHUZACL-CYBMUJFWSA-N -1 3 396.456 3.392 20 0 GGADHM CSCC[C@H](C)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472158853 567005407 /nfs/dbraw/zinc/00/54/07/567005407.db2.gz QQCQWDSYDNGIJI-JTQLQIEISA-N -1 3 398.472 3.291 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2Cl)C1)c1cncc(Cl)c1 ZINC000657042511 567007483 /nfs/dbraw/zinc/00/74/83/567007483.db2.gz VNFSHUJMWMRPMZ-LBPRGKRZSA-N -1 3 386.304 3.193 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c1 ZINC000472190678 567008210 /nfs/dbraw/zinc/00/82/10/567008210.db2.gz HXVMWSXYDPHDEU-UHFFFAOYSA-N -1 3 391.823 3.471 20 0 GGADHM COC(=O)CN(Cc1ccccc1)Cc1ccc(OC)c([O-])c1Br ZINC000544943596 567008903 /nfs/dbraw/zinc/00/89/03/567008903.db2.gz RCEFWYQALGJMBV-UHFFFAOYSA-N -1 3 394.265 3.339 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1c(Cl)cccc1Cl ZINC000657070750 567011148 /nfs/dbraw/zinc/01/11/48/567011148.db2.gz WDOFVPZMYQVQAM-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM CC[C@H](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000657080642 567012605 /nfs/dbraw/zinc/01/26/05/567012605.db2.gz CBJHOILSBDNURO-KBPBESRZSA-N -1 3 375.918 3.470 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)c(F)c1 ZINC000657083781 567012758 /nfs/dbraw/zinc/01/27/58/567012758.db2.gz WZBIAWDYEZXIPL-AWEZNQCLSA-N -1 3 385.379 3.003 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000657081514 567012893 /nfs/dbraw/zinc/01/28/93/567012893.db2.gz GOVRYXNIKQXYIK-CQSZACIVSA-N -1 3 385.379 3.003 20 0 GGADHM CC[C@H](C)CC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000657081690 567012932 /nfs/dbraw/zinc/01/29/32/567012932.db2.gz RQKBCTOJFMXGCD-JTQLQIEISA-N -1 3 389.315 3.048 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)c(F)c1 ZINC000657083784 567013051 /nfs/dbraw/zinc/01/30/51/567013051.db2.gz WZBIAWDYEZXIPL-CQSZACIVSA-N -1 3 385.379 3.003 20 0 GGADHM O=C(Nc1nncs1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430407454 567014082 /nfs/dbraw/zinc/01/40/82/567014082.db2.gz IYTWAFZXSZGAHR-UHFFFAOYSA-N -1 3 385.630 3.048 20 0 GGADHM O=C([N-]c1nncs1)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430407454 567014092 /nfs/dbraw/zinc/01/40/92/567014092.db2.gz IYTWAFZXSZGAHR-UHFFFAOYSA-N -1 3 385.630 3.048 20 0 GGADHM CC(C)C1(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000472268606 567014361 /nfs/dbraw/zinc/01/43/61/567014361.db2.gz PKXUIGXFHBCMRB-UHFFFAOYSA-N -1 3 378.416 3.243 20 0 GGADHM Cc1nc(=O)[nH]c(C)c1CCC(=O)Nc1c([O-])ccc(Br)c1C ZINC000452763576 567014854 /nfs/dbraw/zinc/01/48/54/567014854.db2.gz ZQQXWIAPOPRVKM-UHFFFAOYSA-N -1 3 380.242 3.147 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(N2CCCCC2)n1 ZINC000452762428 567015245 /nfs/dbraw/zinc/01/52/45/567015245.db2.gz YMXBAHGYFWYKTO-UHFFFAOYSA-N -1 3 391.269 3.496 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000472292665 567015437 /nfs/dbraw/zinc/01/54/37/567015437.db2.gz CDISKPOEYLCPOZ-UHFFFAOYSA-N -1 3 376.400 3.093 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(NCC2CC2)nc1 ZINC000452760179 567015579 /nfs/dbraw/zinc/01/55/79/567015579.db2.gz VDDVRNAPASWKTM-UHFFFAOYSA-N -1 3 376.254 3.354 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1cccc(OC)c1 ZINC000657108947 567015522 /nfs/dbraw/zinc/01/55/22/567015522.db2.gz OILFUCOBXGHIGJ-ZDUSSCGKSA-N -1 3 375.899 3.385 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1cccc(OC)c1 ZINC000657109200 567015586 /nfs/dbraw/zinc/01/55/86/567015586.db2.gz RVLZKUUKCCBDPC-OAHLLOKOSA-N -1 3 385.869 3.023 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1cccc(OC)c1 ZINC000657107652 567016066 /nfs/dbraw/zinc/01/60/66/567016066.db2.gz DKCVCZICSFPLHG-GDBMZVCRSA-N -1 3 377.453 3.128 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1cccc(OC)c1 ZINC000657108761 567016361 /nfs/dbraw/zinc/01/63/61/567016361.db2.gz LEXRVVITFAPPKY-MRXNPFEDSA-N -1 3 385.869 3.023 20 0 GGADHM C[C@H]1C[C@@H]1c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000545065878 567016836 /nfs/dbraw/zinc/01/68/36/567016836.db2.gz ULEBMLSRPDHVPT-IUCAKERBSA-N -1 3 376.265 3.021 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c1 ZINC000472300413 567017488 /nfs/dbraw/zinc/01/74/88/567017488.db2.gz QSMGWJXMMHMAGA-UHFFFAOYSA-N -1 3 378.837 3.482 20 0 GGADHM C[C@H]1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)C1 ZINC000430482988 567017900 /nfs/dbraw/zinc/01/79/00/567017900.db2.gz XHCQWLUXQVDFNV-QWHCGFSZSA-N -1 3 382.507 3.080 20 0 GGADHM O=C([N-]c1nnc(C2CC2)s1)c1cnc2ncc(Br)cc2c1 ZINC000681964783 567018168 /nfs/dbraw/zinc/01/81/68/567018168.db2.gz SQTAECJOTFNFCY-UHFFFAOYSA-N -1 3 376.239 3.374 20 0 GGADHM C[C@]1(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCCS1 ZINC000472324637 567018724 /nfs/dbraw/zinc/01/87/24/567018724.db2.gz WLLVZWUUBVMAHH-CQSZACIVSA-N -1 3 396.456 3.092 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C)C1CCCCC1 ZINC000472317670 567018777 /nfs/dbraw/zinc/01/87/77/567018777.db2.gz QQZRPEDLBLOARL-OLZOCXBDSA-N -1 3 391.530 3.112 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000472316305 567019063 /nfs/dbraw/zinc/01/90/63/567019063.db2.gz OWLJQSRAGWFOIV-UHFFFAOYSA-N -1 3 384.816 3.286 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccc(C)c(C)c2)s1 ZINC000657121895 567019082 /nfs/dbraw/zinc/01/90/82/567019082.db2.gz YOSLBJZCCRQKPP-CQSZACIVSA-N -1 3 380.535 3.083 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCCC1 ZINC000472318527 567019383 /nfs/dbraw/zinc/01/93/83/567019383.db2.gz XZIBRTPUDCSHAU-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000520732355 567020073 /nfs/dbraw/zinc/02/00/73/567020073.db2.gz DZVXGKVBGQWJKT-LLVKDONJSA-N -1 3 381.523 3.303 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c1OC ZINC000584187304 567020198 /nfs/dbraw/zinc/02/01/98/567020198.db2.gz WZMBCVHLXBLQAN-NSHDSACASA-N -1 3 383.853 3.175 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000472346122 567020230 /nfs/dbraw/zinc/02/02/30/567020230.db2.gz WRCPSEMDNDGPET-XACMVJRISA-N -1 3 387.498 3.238 20 0 GGADHM C[C@H](CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)CC(C)(C)C ZINC000613204547 567021098 /nfs/dbraw/zinc/02/10/98/567021098.db2.gz RYVXBQGSSSVAAN-CQSZACIVSA-N -1 3 386.583 3.480 20 0 GGADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000520732356 567021073 /nfs/dbraw/zinc/02/10/73/567021073.db2.gz DZVXGKVBGQWJKT-NSHDSACASA-N -1 3 381.523 3.303 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F ZINC000584211155 567022647 /nfs/dbraw/zinc/02/26/47/567022647.db2.gz PLAFIUNHIXASLE-TVQRCGJNSA-N -1 3 378.416 3.172 20 0 GGADHM C/C=C/C[C@@H](CO)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430580342 567023116 /nfs/dbraw/zinc/02/31/16/567023116.db2.gz MBAWWZLGQCKCRR-PBKGFPTLSA-N -1 3 399.672 3.001 20 0 GGADHM C/C=C/C[C@@H](CO)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430580342 567023119 /nfs/dbraw/zinc/02/31/19/567023119.db2.gz MBAWWZLGQCKCRR-PBKGFPTLSA-N -1 3 399.672 3.001 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCCCC1 ZINC000545157496 567023410 /nfs/dbraw/zinc/02/34/10/567023410.db2.gz JIOIGIYTPADIHP-UHFFFAOYSA-N -1 3 375.512 3.182 20 0 GGADHM C/C=C\C[C@@H](CO)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430580347 567023700 /nfs/dbraw/zinc/02/37/00/567023700.db2.gz MBAWWZLGQCKCRR-ZMWSMAPVSA-N -1 3 399.672 3.001 20 0 GGADHM C/C=C\C[C@@H](CO)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430580347 567023707 /nfs/dbraw/zinc/02/37/07/567023707.db2.gz MBAWWZLGQCKCRR-ZMWSMAPVSA-N -1 3 399.672 3.001 20 0 GGADHM C[C@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC[C@@H]1C ZINC000472427944 567025385 /nfs/dbraw/zinc/02/53/85/567025385.db2.gz FJSOTYIDXGGQCY-QWRGUYRKSA-N -1 3 378.416 3.195 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000472427943 567025480 /nfs/dbraw/zinc/02/54/80/567025480.db2.gz FJSOTYIDXGGQCY-MNOVXSKESA-N -1 3 378.416 3.195 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CCCC2CCC2)s1 ZINC000657157706 567026604 /nfs/dbraw/zinc/02/66/04/567026604.db2.gz QYLJJJUUQGQGIJ-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC000520846512 567027073 /nfs/dbraw/zinc/02/70/73/567027073.db2.gz WPIMBSHZBSKBOH-MRXNPFEDSA-N -1 3 386.489 3.268 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000545184142 567028133 /nfs/dbraw/zinc/02/81/33/567028133.db2.gz KBKNJFMRGCMZEK-RYUDHWBXSA-N -1 3 387.324 3.302 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000584297041 567028707 /nfs/dbraw/zinc/02/87/07/567028707.db2.gz SVWQMFOKKWXTIG-QGZVFWFLSA-N -1 3 395.253 3.027 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1nc2c(s1)CCC2 ZINC000584280584 567029300 /nfs/dbraw/zinc/02/93/00/567029300.db2.gz WOHHDQODBVMBHM-QMMMGPOBSA-N -1 3 377.413 3.085 20 0 GGADHM Cc1cc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc(C)c1Br ZINC000494865170 567030173 /nfs/dbraw/zinc/03/01/73/567030173.db2.gz RMPHLZZWKDHSJM-UHFFFAOYSA-N -1 3 398.282 3.085 20 0 GGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472491948 567030239 /nfs/dbraw/zinc/03/02/39/567030239.db2.gz BHNLEYYGYAFAAH-IINYFYTJSA-N -1 3 378.416 3.480 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(Br)c(F)c2)c(=O)[n-]1 ZINC000494863555 567030382 /nfs/dbraw/zinc/03/03/82/567030382.db2.gz JQTORZCIRSZBQA-UHFFFAOYSA-N -1 3 396.260 3.292 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000584301622 567030659 /nfs/dbraw/zinc/03/06/59/567030659.db2.gz YZJKLQXDDOKBHE-MRXNPFEDSA-N -1 3 390.281 3.195 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1C ZINC000545220292 567030769 /nfs/dbraw/zinc/03/07/69/567030769.db2.gz WOFOFAHPWFHLCY-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000430731639 567032120 /nfs/dbraw/zinc/03/21/20/567032120.db2.gz MNVJIRKMLHJQEW-UHFFFAOYSA-N -1 3 384.788 3.471 20 0 GGADHM C[C@]1(c2ccc(CNCc3cccc(Cl)c3Cl)cc2)NC(=O)[N-]C1=O ZINC000520963647 567032780 /nfs/dbraw/zinc/03/27/80/567032780.db2.gz VURQTCBNUYRHNX-GOSISDBHSA-N -1 3 378.259 3.338 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000494895639 567033486 /nfs/dbraw/zinc/03/34/86/567033486.db2.gz VYYUEPHCPJSKPO-HNNXBMFYSA-N -1 3 376.865 3.129 20 0 GGADHM C[C@H](CCC1CC1)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472569692 567035537 /nfs/dbraw/zinc/03/55/37/567035537.db2.gz IVLBZYDZLCETAV-SNVBAGLBSA-N -1 3 378.416 3.385 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC000521015000 567035607 /nfs/dbraw/zinc/03/56/07/567035607.db2.gz CQGNEGFWTXXTIX-UHFFFAOYSA-N -1 3 376.503 3.113 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@@H](C)O ZINC000565083284 567036027 /nfs/dbraw/zinc/03/60/27/567036027.db2.gz LTYIRBNYQXIWAN-PIGZYNQJSA-N -1 3 387.860 3.029 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H](c1ccccc1F)[C@@H](C)O ZINC000565083282 567036365 /nfs/dbraw/zinc/03/63/65/567036365.db2.gz LTYIRBNYQXIWAN-DIFFPNOSSA-N -1 3 387.860 3.029 20 0 GGADHM C[C@@H]1CCC[C@@H]1CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000545301924 567036440 /nfs/dbraw/zinc/03/64/40/567036440.db2.gz YKPUYPUUSYBKGT-VXGBXAGGSA-N -1 3 393.336 3.214 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000472585316 567038945 /nfs/dbraw/zinc/03/89/45/567038945.db2.gz KQYQDYUQHRZHKF-KBPBESRZSA-N -1 3 382.888 3.378 20 0 GGADHM C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@@]1(C)C(=O)[O-] ZINC000565111769 567039981 /nfs/dbraw/zinc/03/99/81/567039981.db2.gz OPKBKXAZBGZMFH-QLJPJBMISA-N -1 3 380.242 3.042 20 0 GGADHM CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1csc(=O)[n-]1 ZINC000472591840 567040485 /nfs/dbraw/zinc/04/04/85/567040485.db2.gz KQGCDHXCOVSBGJ-CYBMUJFWSA-N -1 3 399.310 3.379 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CC2(CCOCc3ccccc3)CC2)s1 ZINC000472622398 567043084 /nfs/dbraw/zinc/04/30/84/567043084.db2.gz ZWRDFYGJXHXDNE-UHFFFAOYSA-N -1 3 380.535 3.371 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)CC(C)C ZINC000545357031 567043151 /nfs/dbraw/zinc/04/31/51/567043151.db2.gz STFPMSGXZINYNK-GFCCVEGCSA-N -1 3 381.336 3.077 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)OC(C)C ZINC000472623995 567043195 /nfs/dbraw/zinc/04/31/95/567043195.db2.gz QXBKZVYIKLHTJJ-KRWDZBQOSA-N -1 3 384.885 3.188 20 0 GGADHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(Br)o2)ccn1 ZINC000545366023 567043885 /nfs/dbraw/zinc/04/38/85/567043885.db2.gz FDYWNKHAGUSHSM-JTQLQIEISA-N -1 3 389.271 3.093 20 0 GGADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000682446408 567044984 /nfs/dbraw/zinc/04/49/84/567044984.db2.gz VTUSRPOKBIFJPL-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000682446408 567044989 /nfs/dbraw/zinc/04/49/89/567044989.db2.gz VTUSRPOKBIFJPL-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000545369048 567045300 /nfs/dbraw/zinc/04/53/00/567045300.db2.gz UIPUHHYRBZFDQZ-UHFFFAOYSA-N -1 3 382.869 3.044 20 0 GGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000521169397 567045331 /nfs/dbraw/zinc/04/53/31/567045331.db2.gz RKAKQCKHYLKSMU-GFCCVEGCSA-N -1 3 395.750 3.255 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000584458543 567045575 /nfs/dbraw/zinc/04/55/75/567045575.db2.gz JXCHFXXPTVMFEN-XRGAULLZSA-N -1 3 385.913 3.222 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCCCCC1 ZINC000472694880 567046204 /nfs/dbraw/zinc/04/62/04/567046204.db2.gz XGILIZJWJLQCAR-UHFFFAOYSA-N -1 3 377.865 3.165 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000495111225 567046564 /nfs/dbraw/zinc/04/65/64/567046564.db2.gz VYHJANSNBOWTTK-LBPRGKRZSA-N -1 3 397.595 3.167 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000472689054 567047019 /nfs/dbraw/zinc/04/70/19/567047019.db2.gz GRKXUPFDUWHNOD-HZPDHXFCSA-N -1 3 381.519 3.419 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1cc(Cl)ccc1Br ZINC000521193375 567046992 /nfs/dbraw/zinc/04/69/92/567046992.db2.gz XRXQWKHETAPOMW-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(Br)o1 ZINC000545389119 567047315 /nfs/dbraw/zinc/04/73/15/567047315.db2.gz RTQLUKDBIRCGIY-AWEZNQCLSA-N -1 3 399.310 3.158 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1ccc(C2CCC2)cc1 ZINC000495137515 567048353 /nfs/dbraw/zinc/04/83/53/567048353.db2.gz KWUIOWMUONQUIZ-UHFFFAOYSA-N -1 3 378.519 3.000 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCSC[C@@H]1C1CC1 ZINC000584513566 567049518 /nfs/dbraw/zinc/04/95/18/567049518.db2.gz PZZPWBBIRYEKLT-OAHLLOKOSA-N -1 3 393.306 3.258 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1)C(F)(F)F ZINC000565232634 567049997 /nfs/dbraw/zinc/04/99/97/567049997.db2.gz AYZQFESXBNCPRY-HNNXBMFYSA-N -1 3 381.416 3.147 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000431073008 567051627 /nfs/dbraw/zinc/05/16/27/567051627.db2.gz VEUDMTHKEALFIV-CQSZACIVSA-N -1 3 385.580 3.265 20 0 GGADHM Cc1cc(OC[C@H](O)CN2CCSC[C@@H]2C(=O)[O-])c(C(C)C)cc1Cl ZINC000565252754 567051970 /nfs/dbraw/zinc/05/19/70/567051970.db2.gz CXOUUSSSJSDFIX-CZUORRHYSA-N -1 3 387.929 3.014 20 0 GGADHM CC(C)c1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000545459100 567052321 /nfs/dbraw/zinc/05/23/21/567052321.db2.gz FZSKNNKFOFTCDY-UHFFFAOYSA-N -1 3 392.955 3.295 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)N(C)C)cc1 ZINC000565258754 567052606 /nfs/dbraw/zinc/05/26/06/567052606.db2.gz MPZTXZIYVKGWCU-KRWDZBQOSA-N -1 3 386.489 3.268 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000584541165 567052762 /nfs/dbraw/zinc/05/27/62/567052762.db2.gz XWUXDGLYXGCYRW-SECBINFHSA-N -1 3 398.319 3.018 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(Br)ccc2C)CCCC1 ZINC000521322307 567053802 /nfs/dbraw/zinc/05/38/02/567053802.db2.gz IKJALBADJDEPGQ-UHFFFAOYSA-N -1 3 390.299 3.233 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c1 ZINC000545470973 567054770 /nfs/dbraw/zinc/05/47/70/567054770.db2.gz VHEYENTVALMGDD-AWEZNQCLSA-N -1 3 396.262 3.064 20 0 GGADHM Cc1cccc2[nH]c(CNCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000657414204 567054671 /nfs/dbraw/zinc/05/46/71/567054671.db2.gz KJBPXSRLXFWJKG-UHFFFAOYSA-N -1 3 383.926 3.259 20 0 GGADHM CC(C)(CF)[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000472922421 567055818 /nfs/dbraw/zinc/05/58/18/567055818.db2.gz CEWKTVVEVYSRPT-UHFFFAOYSA-N -1 3 378.185 3.494 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cc(F)ccc1Br ZINC000545478156 567056386 /nfs/dbraw/zinc/05/63/86/567056386.db2.gz ODGJDTHWVAKXGE-LBPRGKRZSA-N -1 3 380.279 3.216 20 0 GGADHM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000613706112 567057066 /nfs/dbraw/zinc/05/70/66/567057066.db2.gz PEBUQSAGCDDHNV-UHFFFAOYSA-N -1 3 389.253 3.386 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccs1 ZINC000521376296 567058025 /nfs/dbraw/zinc/05/80/25/567058025.db2.gz AGSPVKHHDNVKAZ-AWEZNQCLSA-N -1 3 388.917 3.484 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(Cl)cc(F)c1Br ZINC000584668625 567059359 /nfs/dbraw/zinc/05/93/59/567059359.db2.gz KLNHLOIJLOTLBY-UHFFFAOYSA-N -1 3 376.569 3.004 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1Cl ZINC000431172183 567061563 /nfs/dbraw/zinc/06/15/63/567061563.db2.gz IVABTFAIGMCFMO-UHFFFAOYSA-N -1 3 387.820 3.088 20 0 GGADHM CS(=O)(=O)C1(c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)CCCC1 ZINC000453192231 567061628 /nfs/dbraw/zinc/06/16/28/567061628.db2.gz JIGKTMGDBBPXKG-UHFFFAOYSA-N -1 3 376.356 3.275 20 0 GGADHM COc1ccc(CN(C)C[C@@H]2COc3ccccc3O2)c(Br)c1[O-] ZINC000545561025 567063160 /nfs/dbraw/zinc/06/31/60/567063160.db2.gz QZEFARSFONINMY-CYBMUJFWSA-N -1 3 394.265 3.435 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC(F)(F)F ZINC000521493017 567063260 /nfs/dbraw/zinc/06/32/60/567063260.db2.gz NQOHSHRILPQGNR-UHFFFAOYSA-N -1 3 379.231 3.156 20 0 GGADHM COc1ccc(CN(C)C[C@H]2COc3ccccc3O2)c(Br)c1[O-] ZINC000545561030 567063315 /nfs/dbraw/zinc/06/33/15/567063315.db2.gz QZEFARSFONINMY-ZDUSSCGKSA-N -1 3 394.265 3.435 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1Cl ZINC000431179169 567063532 /nfs/dbraw/zinc/06/35/32/567063532.db2.gz MBTQKXWSRKBWTR-UHFFFAOYSA-N -1 3 376.821 3.476 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccnn1C ZINC000682617669 567063984 /nfs/dbraw/zinc/06/39/84/567063984.db2.gz OHIFRJFDVZLZOI-LLVKDONJSA-N -1 3 376.309 3.445 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1Cl ZINC000431178532 567063967 /nfs/dbraw/zinc/06/39/67/567063967.db2.gz AKSLVMMFLFUHRN-UHFFFAOYSA-N -1 3 376.821 3.476 20 0 GGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2Br)c1 ZINC000565394280 567063973 /nfs/dbraw/zinc/06/39/73/567063973.db2.gz FJYBZOLBRLFULG-UHFFFAOYSA-N -1 3 398.278 3.274 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(CCSc3ccccc3)n2)cc1 ZINC000545595844 567064469 /nfs/dbraw/zinc/06/44/69/567064469.db2.gz XWJUAHIUXUWJIS-UHFFFAOYSA-N -1 3 375.475 3.443 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1 ZINC000545585395 567064803 /nfs/dbraw/zinc/06/48/03/567064803.db2.gz JQURXZRRPATLGC-UHFFFAOYSA-N -1 3 385.232 3.477 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584730740 567064804 /nfs/dbraw/zinc/06/48/04/567064804.db2.gz UPVVKTKNNDMSNL-VIFPVBQESA-N -1 3 394.244 3.322 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000545595042 567064869 /nfs/dbraw/zinc/06/48/69/567064869.db2.gz PVKGAQUKNPVQBF-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM CC[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccncc1 ZINC000453220861 567064888 /nfs/dbraw/zinc/06/48/88/567064888.db2.gz XIZHUTUPYPCNGW-AWEZNQCLSA-N -1 3 388.320 3.408 20 0 GGADHM Ic1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000565397720 567065327 /nfs/dbraw/zinc/06/53/27/567065327.db2.gz CCHCSZOUUQVSMY-UHFFFAOYSA-N -1 3 389.156 3.280 20 0 GGADHM O=C([O-])CCN(CCOCC(F)(F)F)Cc1cccc(Br)c1 ZINC000584724550 567065581 /nfs/dbraw/zinc/06/55/81/567065581.db2.gz FKVISHIUZDLNPD-UHFFFAOYSA-N -1 3 384.192 3.305 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1Cl ZINC000521571389 567066667 /nfs/dbraw/zinc/06/66/67/567066667.db2.gz QNPMAPOZWIVQFB-JTQLQIEISA-N -1 3 380.853 3.423 20 0 GGADHM C[C@H](Sc1ccccn1)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000545630666 567067181 /nfs/dbraw/zinc/06/71/81/567067181.db2.gz RJJGCFHGEKIYLC-NSHDSACASA-N -1 3 376.463 3.356 20 0 GGADHM CCS(=O)(=O)[N-]Cc1nc(C2(c3cccc(Cl)c3)CCCCC2)no1 ZINC000453248195 567067834 /nfs/dbraw/zinc/06/78/34/567067834.db2.gz OUCIKHUKHMDYCF-UHFFFAOYSA-N -1 3 383.901 3.413 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)ccc1C(F)(F)F ZINC000565455069 567068810 /nfs/dbraw/zinc/06/88/10/567068810.db2.gz QTIQAOFDYXPURY-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM O=S(=O)([N-][C@H](CN1CCCCC1)c1ccccc1)c1cncc(Cl)c1 ZINC000682726496 567069570 /nfs/dbraw/zinc/06/95/70/567069570.db2.gz NPVVBIAYPPAGNS-GOSISDBHSA-N -1 3 379.913 3.241 20 0 GGADHM Cc1c([N-]C(=O)c2c(Cl)cncc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000431269475 567069906 /nfs/dbraw/zinc/06/99/06/567069906.db2.gz JQFQSMVDXCPTIF-UHFFFAOYSA-N -1 3 377.231 3.439 20 0 GGADHM O=C(C[N-]S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1c(F)cccc1Cl ZINC000565476481 567071144 /nfs/dbraw/zinc/07/11/44/567071144.db2.gz RGLITDFGYDDPFM-QWHCGFSZSA-N -1 3 388.892 3.008 20 0 GGADHM CC(C)OCC(C)(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000565469186 567071297 /nfs/dbraw/zinc/07/12/97/567071297.db2.gz HLZIEHRLNQSILA-UHFFFAOYSA-N -1 3 381.270 3.224 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)NCC1CCCCC1 ZINC000431282389 567071723 /nfs/dbraw/zinc/07/17/23/567071723.db2.gz JYZVEAYUWTWWNK-UHFFFAOYSA-N -1 3 378.947 3.155 20 0 GGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCCn1cc(Br)cn1 ZINC000473275880 567071854 /nfs/dbraw/zinc/07/18/54/567071854.db2.gz JHNCVYOZYJYBSB-UHFFFAOYSA-N -1 3 398.276 3.410 20 0 GGADHM CC1(CCNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000473272355 567072189 /nfs/dbraw/zinc/07/21/89/567072189.db2.gz VTKFZGXCJRXYAX-UHFFFAOYSA-N -1 3 384.548 3.208 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)sc1Br ZINC000431293867 567072361 /nfs/dbraw/zinc/07/23/61/567072361.db2.gz GMDDLPWEKGNEHT-UHFFFAOYSA-N -1 3 388.308 3.328 20 0 GGADHM CCOc1nc(C(=O)[N-]c2cc(F)c(I)c(F)c2)co1 ZINC000613922105 567072506 /nfs/dbraw/zinc/07/25/06/567072506.db2.gz CYHYZWLSCRDDQB-UHFFFAOYSA-N -1 3 394.115 3.208 20 0 GGADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2cccc3c(Br)cccc23)no1 ZINC000545759929 567073705 /nfs/dbraw/zinc/07/37/05/567073705.db2.gz ITPUABZUKDLYRZ-SECBINFHSA-N -1 3 396.266 3.263 20 0 GGADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000584835098 567073734 /nfs/dbraw/zinc/07/37/34/567073734.db2.gz KOVSIKHXBUEAKV-UONOGXRCSA-N -1 3 396.559 3.207 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C2CCSCC2)c(F)cc1F ZINC000496396327 567075783 /nfs/dbraw/zinc/07/57/83/567075783.db2.gz SLPPXFURVYZWGA-UHFFFAOYSA-N -1 3 378.466 3.198 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H](C(C)C)c3ccccc32)s1 ZINC000565557235 567077844 /nfs/dbraw/zinc/07/78/44/567077844.db2.gz KGUPANXLDBLYQL-HUUCEWRRSA-N -1 3 379.507 3.264 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1F)c1ccc(Br)s1 ZINC000565557299 567078022 /nfs/dbraw/zinc/07/80/22/567078022.db2.gz DCDFBRJKZOIZAH-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(OCCOC)c(C)c1)C(F)(F)F ZINC000521764566 567078001 /nfs/dbraw/zinc/07/80/01/567078001.db2.gz HBLCWUAIMNIZPB-XHDPSFHLSA-N -1 3 383.432 3.276 20 0 GGADHM CC(C)CN(Cc1ccccc1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000521756056 567078200 /nfs/dbraw/zinc/07/82/00/567078200.db2.gz YRPSAVDVNBNGAL-OAHLLOKOSA-N -1 3 380.535 3.100 20 0 GGADHM CCCCN1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000521859370 567082713 /nfs/dbraw/zinc/08/27/13/567082713.db2.gz XAGUVIHYGTZJEK-UHFFFAOYSA-N -1 3 379.551 3.353 20 0 GGADHM C[C@H](Sc1ccccn1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000431451225 567083174 /nfs/dbraw/zinc/08/31/74/567083174.db2.gz IHUQMKQWNQSVRU-JTQLQIEISA-N -1 3 377.267 3.033 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c1 ZINC000521882132 567084670 /nfs/dbraw/zinc/08/46/70/567084670.db2.gz WZFKFWRUWDVZKZ-UHFFFAOYSA-N -1 3 383.516 3.138 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)cs1 ZINC000682926707 567084643 /nfs/dbraw/zinc/08/46/43/567084643.db2.gz JOFATSMBHQTIBB-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000545922919 567088742 /nfs/dbraw/zinc/08/87/42/567088742.db2.gz DRUCLWQHELTWQX-CQSZACIVSA-N -1 3 387.910 3.082 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000545922918 567088798 /nfs/dbraw/zinc/08/87/98/567088798.db2.gz DRUCLWQHELTWQX-AWEZNQCLSA-N -1 3 387.910 3.082 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](C)OCC(C)C)c(F)cc1F ZINC000521970731 567089773 /nfs/dbraw/zinc/08/97/73/567089773.db2.gz UNTJPCROLGFMCK-LLVKDONJSA-N -1 3 378.441 3.116 20 0 GGADHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000586083347 567090621 /nfs/dbraw/zinc/09/06/21/567090621.db2.gz PYTVEABZTIQCBV-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM C[C@@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCO[C@@H]1C1CC1 ZINC000545936501 567090750 /nfs/dbraw/zinc/09/07/50/567090750.db2.gz OWRJBALDOQHKOA-WBVHZDCISA-N -1 3 383.286 3.159 20 0 GGADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(Br)c(F)c1 ZINC000521988324 567091650 /nfs/dbraw/zinc/09/16/50/567091650.db2.gz HYUZSDHHAYUDST-UHFFFAOYSA-N -1 3 376.169 3.207 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000565737827 567094901 /nfs/dbraw/zinc/09/49/01/567094901.db2.gz SOIIXFYEGNTGHA-UHFFFAOYSA-N -1 3 397.635 3.485 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000565737827 567094909 /nfs/dbraw/zinc/09/49/09/567094909.db2.gz SOIIXFYEGNTGHA-UHFFFAOYSA-N -1 3 397.635 3.485 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000565737827 567094916 /nfs/dbraw/zinc/09/49/16/567094916.db2.gz SOIIXFYEGNTGHA-UHFFFAOYSA-N -1 3 397.635 3.485 20 0 GGADHM O=S(=O)([N-]C[C@H](c1ccccc1)C1CC1)c1cncc(Br)c1 ZINC000431606468 567095656 /nfs/dbraw/zinc/09/56/56/567095656.db2.gz UVSJGLZVFBHHTJ-MRXNPFEDSA-N -1 3 381.295 3.316 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)ncc1Br ZINC000565764910 567096010 /nfs/dbraw/zinc/09/60/10/567096010.db2.gz KEOKACSVQYDPJT-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000522046113 567097106 /nfs/dbraw/zinc/09/71/06/567097106.db2.gz XVBUNIPGUOTQKX-UHFFFAOYSA-N -1 3 382.482 3.440 20 0 GGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000522055740 567097204 /nfs/dbraw/zinc/09/72/04/567097204.db2.gz FNLKMAUMUDHZDJ-GFCCVEGCSA-N -1 3 395.750 3.255 20 0 GGADHM COc1ccc(CNC[C@H](O)[C@@H](C)c2ccccc2)c(Br)c1[O-] ZINC000657795258 567097173 /nfs/dbraw/zinc/09/71/73/567097173.db2.gz FBGOJHDSCJLFKM-WFASDCNBSA-N -1 3 380.282 3.418 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683143929 567097399 /nfs/dbraw/zinc/09/73/99/567097399.db2.gz NYSXNRSTOGOONC-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)[n-]1 ZINC000586811761 567098245 /nfs/dbraw/zinc/09/82/45/567098245.db2.gz HMZXWEPKINHAIC-UHFFFAOYSA-N -1 3 396.216 3.158 20 0 GGADHM CCOC(=O)c1nc(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)c[n-]1 ZINC000586811761 567098251 /nfs/dbraw/zinc/09/82/51/567098251.db2.gz HMZXWEPKINHAIC-UHFFFAOYSA-N -1 3 396.216 3.158 20 0 GGADHM CN(Cc1cc(Br)ccc1Cl)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000683144726 567098514 /nfs/dbraw/zinc/09/85/14/567098514.db2.gz UBADMPLRZQIYRX-UHFFFAOYSA-N -1 3 396.676 3.117 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2csc(Br)c2C)s1 ZINC000614276399 567099746 /nfs/dbraw/zinc/09/97/46/567099746.db2.gz CNGJDINLXWAXCX-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3nc[nH]c(=O)c3c2)cc1C ZINC000565795478 567100010 /nfs/dbraw/zinc/10/00/10/567100010.db2.gz NAOHXRBZETVPCO-UHFFFAOYSA-N -1 3 379.825 3.107 20 0 GGADHM COCCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000683174812 567100684 /nfs/dbraw/zinc/10/06/84/567100684.db2.gz QTHOMWMZUKSIEC-KRWDZBQOSA-N -1 3 394.265 3.390 20 0 GGADHM COc1c(Br)cccc1CNC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000683176889 567100926 /nfs/dbraw/zinc/10/09/26/567100926.db2.gz VVHHZVFIMMEBAJ-OAHLLOKOSA-N -1 3 378.266 3.491 20 0 GGADHM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683173845 567101025 /nfs/dbraw/zinc/10/10/25/567101025.db2.gz LNWJGPPNPJDERH-QGZVFWFLSA-N -1 3 394.265 3.390 20 0 GGADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000683174850 567101114 /nfs/dbraw/zinc/10/11/14/567101114.db2.gz QZYOKRQKOIHQHP-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM COc1ccc(Br)cc1CNC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000683172692 567101406 /nfs/dbraw/zinc/10/14/06/567101406.db2.gz YHZKPYZMNQBLKM-OAHLLOKOSA-N -1 3 378.266 3.491 20 0 GGADHM CC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683173962 567101518 /nfs/dbraw/zinc/10/15/18/567101518.db2.gz MWFSVJPUZKMKKX-INIZCTEOSA-N -1 3 377.238 3.323 20 0 GGADHM COc1ccc(Br)c(CNC[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000683171290 567101631 /nfs/dbraw/zinc/10/16/31/567101631.db2.gz ILASDAVBGORGAN-OAHLLOKOSA-N -1 3 378.266 3.491 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000683173813 567101720 /nfs/dbraw/zinc/10/17/20/567101720.db2.gz KPKAXEUMWRECRN-INIZCTEOSA-N -1 3 378.222 3.136 20 0 GGADHM O=C(NCc1ccc(F)c(F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522148912 567101775 /nfs/dbraw/zinc/10/17/75/567101775.db2.gz CXWHUGLBTBBHBC-UHFFFAOYSA-N -1 3 393.187 3.499 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546076225 567103650 /nfs/dbraw/zinc/10/36/50/567103650.db2.gz RXRCSNAUKPWAFI-UHFFFAOYSA-N -1 3 396.266 3.015 20 0 GGADHM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000546093660 567105399 /nfs/dbraw/zinc/10/53/99/567105399.db2.gz UBHQUFYQDRRHFF-SECBINFHSA-N -1 3 387.255 3.040 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093464 567105713 /nfs/dbraw/zinc/10/57/13/567105713.db2.gz CVTMKCHXWJFZKO-TZMCWYRMSA-N -1 3 399.310 3.156 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000565867628 567106425 /nfs/dbraw/zinc/10/64/25/567106425.db2.gz HDRHVVWHFSDHFY-UHFFFAOYSA-N -1 3 383.853 3.101 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCc2ccccc21 ZINC000522215259 567107031 /nfs/dbraw/zinc/10/70/31/567107031.db2.gz NEHUUAWQPUMIJG-CQSZACIVSA-N -1 3 398.937 3.216 20 0 GGADHM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]2CCCC[C@@H]12 ZINC000522214415 567107171 /nfs/dbraw/zinc/10/71/71/567107171.db2.gz NCRMSIPNFUEWTH-AGIUHOORSA-N -1 3 390.958 3.107 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000431812674 567108648 /nfs/dbraw/zinc/10/86/48/567108648.db2.gz LSIWVTGSTORFHR-UHFFFAOYSA-N -1 3 383.210 3.039 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000431812674 567108652 /nfs/dbraw/zinc/10/86/52/567108652.db2.gz LSIWVTGSTORFHR-UHFFFAOYSA-N -1 3 383.210 3.039 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000431812674 567108658 /nfs/dbraw/zinc/10/86/58/567108658.db2.gz LSIWVTGSTORFHR-UHFFFAOYSA-N -1 3 383.210 3.039 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(F)cc1 ZINC000473862736 567109520 /nfs/dbraw/zinc/10/95/20/567109520.db2.gz FKPXWKNDGZIQBD-LBPRGKRZSA-N -1 3 391.873 3.432 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCN(C(=O)C2CCC2)C2CC2)sc1Cl ZINC000473862510 567110161 /nfs/dbraw/zinc/11/01/61/567110161.db2.gz MFOBDBBDZGOKSA-UHFFFAOYSA-N -1 3 390.958 3.169 20 0 GGADHM COCCC(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000546156735 567110462 /nfs/dbraw/zinc/11/04/62/567110462.db2.gz BHCUUVZNWSBJEK-UHFFFAOYSA-N -1 3 381.270 3.083 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)s1 ZINC000546182970 567112013 /nfs/dbraw/zinc/11/20/13/567112013.db2.gz QPFPKXUEENBYIY-LLVKDONJSA-N -1 3 382.345 3.447 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)s1 ZINC000546172216 567112326 /nfs/dbraw/zinc/11/23/26/567112326.db2.gz MLWKPRLOYVPFPV-LBPRGKRZSA-N -1 3 386.292 3.425 20 0 GGADHM O=C1CN(CCc2ccccc2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431853776 567112247 /nfs/dbraw/zinc/11/22/47/567112247.db2.gz KWHIZEWABNGMSN-UHFFFAOYSA-N -1 3 389.249 3.162 20 0 GGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000546176800 567112657 /nfs/dbraw/zinc/11/26/57/567112657.db2.gz HLMQSRQVWNTOTQ-SECBINFHSA-N -1 3 384.807 3.234 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](O)Cc2ccccc2Cl)c1[O-] ZINC000588099441 567113434 /nfs/dbraw/zinc/11/34/34/567113434.db2.gz WANUJBGQVMJBFP-AWEZNQCLSA-N -1 3 384.215 3.028 20 0 GGADHM COC1CCC(N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000522343502 567113502 /nfs/dbraw/zinc/11/35/02/567113502.db2.gz ZKAXVAPIUVRYEK-UHFFFAOYSA-N -1 3 393.281 3.320 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000522370753 567113549 /nfs/dbraw/zinc/11/35/49/567113549.db2.gz IQMFPBIACISTOU-AWEZNQCLSA-N -1 3 380.897 3.296 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2nc(SC)ncc2Cl)c1[O-] ZINC000588099954 567113782 /nfs/dbraw/zinc/11/37/82/567113782.db2.gz HVNPKFQJOBMSII-UHFFFAOYSA-N -1 3 388.232 3.250 20 0 GGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2nc(SC)ncc2Cl)c1O ZINC000588099954 567113789 /nfs/dbraw/zinc/11/37/89/567113789.db2.gz HVNPKFQJOBMSII-UHFFFAOYSA-N -1 3 388.232 3.250 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC)cc2)cc1F ZINC000546198585 567113836 /nfs/dbraw/zinc/11/38/36/567113836.db2.gz YONGHMRMUYUKAJ-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2csc(C(C)C)n2)cc1OC ZINC000588088075 567114025 /nfs/dbraw/zinc/11/40/25/567114025.db2.gz DDAPSHSSZVOIRL-UHFFFAOYSA-N -1 3 383.495 3.289 20 0 GGADHM O=C1CN(Cc2ccc(F)cc2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431868961 567114265 /nfs/dbraw/zinc/11/42/65/567114265.db2.gz PAPHRNZWDYGQKI-UHFFFAOYSA-N -1 3 393.212 3.258 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)CSCc2c(C)noc2C)c1[O-] ZINC000588097125 567114533 /nfs/dbraw/zinc/11/45/33/567114533.db2.gz YHYJEDRTSMYYKW-UHFFFAOYSA-N -1 3 384.841 3.309 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)c1nc(-c2cccs2)no1 ZINC000497646808 567114731 /nfs/dbraw/zinc/11/47/31/567114731.db2.gz CFAWEAVRNFHUHJ-QMMMGPOBSA-N -1 3 378.435 3.242 20 0 GGADHM O=C1N[C@H](c2ccccc2F)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000683331611 567114844 /nfs/dbraw/zinc/11/48/44/567114844.db2.gz ZBCJEPLBSXTECT-CQSZACIVSA-N -1 3 379.185 3.087 20 0 GGADHM COCCOc1c(Cl)cc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1Cl ZINC000497677705 567115917 /nfs/dbraw/zinc/11/59/17/567115917.db2.gz UCEZMDZMKNJBRN-UHFFFAOYSA-N -1 3 387.219 3.386 20 0 GGADHM Cc1csc(-c2cccc(NC(=O)C[N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000588125714 567116117 /nfs/dbraw/zinc/11/61/17/567116117.db2.gz ZPCUWYZXPMFHKS-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(C(F)F)cc2)nc1C ZINC000588118002 567116178 /nfs/dbraw/zinc/11/61/78/567116178.db2.gz NEVZDTZZPCNLRZ-UHFFFAOYSA-N -1 3 390.433 3.044 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431906552 567116946 /nfs/dbraw/zinc/11/69/46/567116946.db2.gz YZVVKELYIVNKHP-GFCCVEGCSA-N -1 3 377.853 3.353 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(CSCc3ccco3)no2)ccc1F ZINC000546247425 567117382 /nfs/dbraw/zinc/11/73/82/567117382.db2.gz OXJVLKLREHHGHV-UHFFFAOYSA-N -1 3 383.426 3.274 20 0 GGADHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000522435133 567118320 /nfs/dbraw/zinc/11/83/20/567118320.db2.gz DRAVPUHMZJOFLJ-GFCCVEGCSA-N -1 3 395.388 3.444 20 0 GGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1cncc(Br)c1 ZINC000588170955 567119067 /nfs/dbraw/zinc/11/90/67/567119067.db2.gz OLHPZFPNTITSFW-HZPDHXFCSA-N -1 3 397.294 3.043 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000588173059 567119346 /nfs/dbraw/zinc/11/93/46/567119346.db2.gz IWCCRSJXGFCSKM-ONGXEEELSA-N -1 3 382.707 3.338 20 0 GGADHM CSc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)nc1 ZINC000522551517 567119679 /nfs/dbraw/zinc/11/96/79/567119679.db2.gz LYZMCBHWTXCJMT-UHFFFAOYSA-N -1 3 397.547 3.292 20 0 GGADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000566011379 567119921 /nfs/dbraw/zinc/11/99/21/567119921.db2.gz RPWDVBXDTDZRTH-NSHDSACASA-N -1 3 380.286 3.308 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000522619820 567121352 /nfs/dbraw/zinc/12/13/52/567121352.db2.gz BUWCEDZRBBNREY-ZDUSSCGKSA-N -1 3 384.860 3.045 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000522614029 567121480 /nfs/dbraw/zinc/12/14/80/567121480.db2.gz LPXQMPWQIABKEJ-UHFFFAOYSA-N -1 3 381.322 3.471 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000497775082 567123429 /nfs/dbraw/zinc/12/34/29/567123429.db2.gz XJUSDJUBTIGLJA-HRCADAONSA-N -1 3 384.567 3.064 20 0 GGADHM COc1ccc(Br)cc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000546345994 567123634 /nfs/dbraw/zinc/12/36/34/567123634.db2.gz KKOLOWYJIFIXNB-UHFFFAOYSA-N -1 3 391.225 3.211 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2CCCCCC2=O)c1Cl ZINC000614601243 567123937 /nfs/dbraw/zinc/12/39/37/567123937.db2.gz DQUHOYQJWGEPRR-UHFFFAOYSA-N -1 3 393.336 3.373 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c(C)c1C ZINC000522669436 567124431 /nfs/dbraw/zinc/12/44/31/567124431.db2.gz WSKWZPCDBKREEU-UHFFFAOYSA-N -1 3 378.475 3.157 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)s1 ZINC000497792570 567124639 /nfs/dbraw/zinc/12/46/39/567124639.db2.gz GMIZIZVAESWKSE-UHFFFAOYSA-N -1 3 394.543 3.120 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)o1 ZINC000497787225 567124786 /nfs/dbraw/zinc/12/47/86/567124786.db2.gz TVMGZQSGEMTGNR-UHFFFAOYSA-N -1 3 380.422 3.122 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2C[C@H](C)O[C@@H](C)C2)c1Cl ZINC000614601551 567124947 /nfs/dbraw/zinc/12/49/47/567124947.db2.gz JKZWKPQPVOTJRW-STQMWFEESA-N -1 3 395.352 3.079 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C)cc2Br)no1 ZINC000546395930 567125288 /nfs/dbraw/zinc/12/52/88/567125288.db2.gz LIVGHPABFQOYHU-UHFFFAOYSA-N -1 3 388.287 3.027 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)c2cccc(Br)c2)n1 ZINC000636110917 567125850 /nfs/dbraw/zinc/12/58/50/567125850.db2.gz HENNHGYVEVVMPJ-LLVKDONJSA-N -1 3 378.270 3.408 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(SC)ccc2[O-])cc1 ZINC000614610874 567126053 /nfs/dbraw/zinc/12/60/53/567126053.db2.gz MKMZAJPADPHUKP-LBPRGKRZSA-N -1 3 379.503 3.399 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2ccc(Br)cc2F)n1 ZINC000636113699 567126329 /nfs/dbraw/zinc/12/63/29/567126329.db2.gz FSCBZTCVSBPWBN-UHFFFAOYSA-N -1 3 396.260 3.376 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)c1 ZINC000474028318 567126208 /nfs/dbraw/zinc/12/62/08/567126208.db2.gz DBTIFZXOWYISEM-NSHDSACASA-N -1 3 388.283 3.350 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)nc1 ZINC000683465778 567126409 /nfs/dbraw/zinc/12/64/09/567126409.db2.gz DTJAEPIBJVUFNJ-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM O=S(=O)([N-]CC1Cc2ccccc2C1)c1ccc(F)cc1Br ZINC000522714550 567126446 /nfs/dbraw/zinc/12/64/46/567126446.db2.gz SRLRUHQCTHZMJH-UHFFFAOYSA-N -1 3 384.270 3.282 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2ccc(C)c(Br)c2)n1 ZINC000636110877 567126353 /nfs/dbraw/zinc/12/63/53/567126353.db2.gz NSXMYABQBOLVDO-UHFFFAOYSA-N -1 3 378.270 3.156 20 0 GGADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000614608265 567126627 /nfs/dbraw/zinc/12/66/27/567126627.db2.gz SKNNUAKIOITCKF-SMDDNHRTSA-N -1 3 394.306 3.462 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Br)c(F)c2C)n1 ZINC000636110098 567126654 /nfs/dbraw/zinc/12/66/54/567126654.db2.gz ARWCUJMLZLRREP-UHFFFAOYSA-N -1 3 382.233 3.366 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Cc2ccc(Br)cc2)n1 ZINC000636110904 567126799 /nfs/dbraw/zinc/12/67/99/567126799.db2.gz OGQVNVPIHFAWLE-LLVKDONJSA-N -1 3 392.297 3.483 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2ccccc2Br)n1 ZINC000636115977 567127105 /nfs/dbraw/zinc/12/71/05/567127105.db2.gz YGTNTOOMFQFLKB-UHFFFAOYSA-N -1 3 378.270 3.237 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n1 ZINC000636114782 567127193 /nfs/dbraw/zinc/12/71/93/567127193.db2.gz RQHHEFIIPJRULZ-LLVKDONJSA-N -1 3 394.269 3.072 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2ccc(Br)cc2)n1 ZINC000636114434 567127317 /nfs/dbraw/zinc/12/73/17/567127317.db2.gz IPVZHLLEFQYHDH-UHFFFAOYSA-N -1 3 378.270 3.237 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2cc(O)ccc2C1)c1ccc(Br)s1 ZINC000683469773 567127689 /nfs/dbraw/zinc/12/76/89/567127689.db2.gz URCJDPMAIKUYHQ-NSHDSACASA-N -1 3 388.308 3.052 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000432063183 567129212 /nfs/dbraw/zinc/12/92/12/567129212.db2.gz NOGGBEDVMCTGIN-UHFFFAOYSA-N -1 3 380.853 3.326 20 0 GGADHM COC(=O)[C@@H](NCc1ccc(OC)c([O-])c1Br)c1ccccc1F ZINC000614652536 567130376 /nfs/dbraw/zinc/13/03/76/567130376.db2.gz IPTFPXZUAMRHLQ-HNNXBMFYSA-N -1 3 398.228 3.306 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c1 ZINC000588625982 567130601 /nfs/dbraw/zinc/13/06/01/567130601.db2.gz OCIZKGOPYJMUDP-UHFFFAOYSA-N -1 3 398.238 3.103 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)on1 ZINC000566162203 567131664 /nfs/dbraw/zinc/13/16/64/567131664.db2.gz YGYIIMAOOCGWQM-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)c1 ZINC000474084669 567132619 /nfs/dbraw/zinc/13/26/19/567132619.db2.gz YYQCQKBUHUADSZ-UHFFFAOYSA-N -1 3 399.310 3.002 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H](O)C(F)(F)F ZINC000497933081 567132628 /nfs/dbraw/zinc/13/26/28/567132628.db2.gz FLYDWMQIBGBECH-GHMZBOCLSA-N -1 3 380.215 3.115 20 0 GGADHM COCC[C@@]1([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCOC1 ZINC000683550041 567132898 /nfs/dbraw/zinc/13/28/98/567132898.db2.gz UVMXERASTNXMQZ-OAHLLOKOSA-N -1 3 382.309 3.084 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522831513 567133652 /nfs/dbraw/zinc/13/36/52/567133652.db2.gz QCJKBABUOWIHBZ-AWEZNQCLSA-N -1 3 390.281 3.400 20 0 GGADHM Cn1ccc([C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)c2ccc(Cl)cc2)n1 ZINC000546540008 567135367 /nfs/dbraw/zinc/13/53/67/567135367.db2.gz ACMLMPMCELDIQR-MRXNPFEDSA-N -1 3 397.287 3.190 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)s1 ZINC000546540480 567136166 /nfs/dbraw/zinc/13/61/66/567136166.db2.gz SYPAOOSORAVMDX-OAHLLOKOSA-N -1 3 396.925 3.215 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2SC(C)C)cn1 ZINC000474119656 567137020 /nfs/dbraw/zinc/13/70/20/567137020.db2.gz RJJPSGOSPKQHHP-UHFFFAOYSA-N -1 3 399.925 3.396 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCCOc1ccc(Cl)cc1Cl)C2 ZINC000636282594 567137874 /nfs/dbraw/zinc/13/78/74/567137874.db2.gz OEVVRZYNSFQSDR-UHFFFAOYSA-N -1 3 382.247 3.499 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C)c1nccs1 ZINC000474132698 567138410 /nfs/dbraw/zinc/13/84/10/567138410.db2.gz MKXYSDJETWIBHM-KRWDZBQOSA-N -1 3 382.507 3.150 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000474131629 567138441 /nfs/dbraw/zinc/13/84/41/567138441.db2.gz KIJAAKQZNURVNF-CJNGLKHVSA-N -1 3 396.306 3.367 20 0 GGADHM C[C@H]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000474130943 567138705 /nfs/dbraw/zinc/13/87/05/567138705.db2.gz HHJAPLUYFLDDLX-NWDGAFQWSA-N -1 3 384.548 3.207 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1Cl)c1ccccc1 ZINC000497980962 567138892 /nfs/dbraw/zinc/13/88/92/567138892.db2.gz DCOKIZOBXPRPGZ-GUYCJALGSA-N -1 3 381.881 3.477 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000474130936 567138986 /nfs/dbraw/zinc/13/89/86/567138986.db2.gz HHJAPLUYFLDDLX-NEPJUHHUSA-N -1 3 384.548 3.207 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C[C@@H](C)c1ccc(F)c(Br)c1)C2 ZINC000636287018 567139828 /nfs/dbraw/zinc/13/98/28/567139828.db2.gz RUBZRCBVPRMLFE-SECBINFHSA-N -1 3 394.244 3.428 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)C2 ZINC000636285673 567140166 /nfs/dbraw/zinc/14/01/66/567140166.db2.gz CVEZJLOXWDDCTP-UHFFFAOYSA-N -1 3 388.638 3.372 20 0 GGADHM Cn1cc(Br)c([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n1 ZINC000566229320 567140339 /nfs/dbraw/zinc/14/03/39/567140339.db2.gz PDQJVLNLZJZKTD-UHFFFAOYSA-N -1 3 380.214 3.062 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1ccc(Cl)cc1F ZINC000497996497 567140610 /nfs/dbraw/zinc/14/06/10/567140610.db2.gz JIEHTFHSCIKEGP-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@H](O)C(F)(F)F ZINC000497983483 567140688 /nfs/dbraw/zinc/14/06/88/567140688.db2.gz NCXCLMZCIAXRPZ-OCCSQVGLSA-N -1 3 381.803 3.473 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(CCC[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000614813023 567141098 /nfs/dbraw/zinc/14/10/98/567141098.db2.gz DNWUCCQWWQWJLO-VXGBXAGGSA-N -1 3 395.388 3.157 20 0 GGADHM C[C@H](NC(=O)CCc1cc(Cl)cs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823663 567141280 /nfs/dbraw/zinc/14/12/80/567141280.db2.gz RJLDQZFCSBVJAN-QWRGUYRKSA-N -1 3 381.885 3.214 20 0 GGADHM Cc1c(Br)cccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000588862202 567141227 /nfs/dbraw/zinc/14/12/27/567141227.db2.gz JVRCVTTWBCJHTA-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM C[C@@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000614813022 567141639 /nfs/dbraw/zinc/14/16/39/567141639.db2.gz DNWUCCQWWQWJLO-TXEJJXNPSA-N -1 3 395.388 3.157 20 0 GGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1c(F)cccc1Br ZINC000636318760 567142337 /nfs/dbraw/zinc/14/23/37/567142337.db2.gz BSCNRWSFUYMRDE-UHFFFAOYSA-N -1 3 380.217 3.281 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432258030 567142962 /nfs/dbraw/zinc/14/29/62/567142962.db2.gz JEYFWEWXEOVVFA-LBPRGKRZSA-N -1 3 393.818 3.332 20 0 GGADHM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1=O ZINC000474179556 567143101 /nfs/dbraw/zinc/14/31/01/567143101.db2.gz BATCSIQRALPQPB-JTQLQIEISA-N -1 3 398.834 3.037 20 0 GGADHM O=C(Cc1cccc(Br)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319723 567143769 /nfs/dbraw/zinc/14/37/69/567143769.db2.gz XMTNYGHEGMJLCP-UHFFFAOYSA-N -1 3 376.254 3.071 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000432270659 567143819 /nfs/dbraw/zinc/14/38/19/567143819.db2.gz MBULYIBSEXFCEY-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498024551 567143811 /nfs/dbraw/zinc/14/38/11/567143811.db2.gz DWESWNREQLVLOB-CYBMUJFWSA-N -1 3 385.265 3.425 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(Br)c2)CCC1)c1cncc(F)c1 ZINC000588905201 567144106 /nfs/dbraw/zinc/14/41/06/567144106.db2.gz HYUKHSCQRVIICP-UHFFFAOYSA-N -1 3 385.258 3.341 20 0 GGADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000498020961 567144254 /nfs/dbraw/zinc/14/42/54/567144254.db2.gz XHGNKILMZQIEIL-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432273467 567144417 /nfs/dbraw/zinc/14/44/17/567144417.db2.gz AFBVLXZJYIZSFC-CQSZACIVSA-N -1 3 375.416 3.051 20 0 GGADHM C[C@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000588905325 567144802 /nfs/dbraw/zinc/14/48/02/567144802.db2.gz JUHOZFWWZBFYSM-LLVKDONJSA-N -1 3 387.274 3.283 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO[C@@H]1C1CC1 ZINC000546633669 567145282 /nfs/dbraw/zinc/14/52/82/567145282.db2.gz HRWQJAWXZHKTTH-HUUCEWRRSA-N -1 3 392.290 3.072 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)s1 ZINC000546634345 567145308 /nfs/dbraw/zinc/14/53/08/567145308.db2.gz STZYFDMGHICFJG-GXTWGEPZSA-N -1 3 394.356 3.303 20 0 GGADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000474190423 567145278 /nfs/dbraw/zinc/14/52/78/567145278.db2.gz MZPUYUBBPPPBDO-LBPRGKRZSA-N -1 3 390.324 3.047 20 0 GGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc(Br)c(F)c1 ZINC000498033138 567145826 /nfs/dbraw/zinc/14/58/26/567145826.db2.gz RWNDMWONGLGGHO-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000432288022 567145959 /nfs/dbraw/zinc/14/59/59/567145959.db2.gz WRVPDOLDBPKFLN-AWEZNQCLSA-N -1 3 375.416 3.479 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cncc(Br)c1)C1CCCC1 ZINC000474195247 567146548 /nfs/dbraw/zinc/14/65/48/567146548.db2.gz YDBOJVOUSZKEIB-HNNXBMFYSA-N -1 3 391.331 3.108 20 0 GGADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NCCCc1cc(=O)[nH][n-]1 ZINC000614923967 567147117 /nfs/dbraw/zinc/14/71/17/567147117.db2.gz UPTMQFABWFHVBN-UHFFFAOYSA-N -1 3 384.263 3.119 20 0 GGADHM COc1ccc(-c2ccc(C[N-]S(=O)(=O)c3cncc(F)c3)s2)cc1 ZINC000474217947 567148246 /nfs/dbraw/zinc/14/82/46/567148246.db2.gz GXIKHFXPIKJXDO-UHFFFAOYSA-N -1 3 378.450 3.436 20 0 GGADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc2c(cc1Br)OCO2 ZINC000636357336 567148349 /nfs/dbraw/zinc/14/83/49/567148349.db2.gz APPPYLTXSFJJKD-VIFPVBQESA-N -1 3 398.238 3.133 20 0 GGADHM Cn1ncc(Cl)c1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432307445 567148526 /nfs/dbraw/zinc/14/85/26/567148526.db2.gz QNWWASRXMPUQEY-NSHDSACASA-N -1 3 381.807 3.088 20 0 GGADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc2ccc(Br)cc2s1 ZINC000614931859 567149215 /nfs/dbraw/zinc/14/92/15/567149215.db2.gz ZLYAESUPSRQCEP-UHFFFAOYSA-N -1 3 380.267 3.050 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2F)c(C(F)(F)F)c1 ZINC000523294766 567149248 /nfs/dbraw/zinc/14/92/48/567149248.db2.gz BZQLXKPUCMBKAX-UHFFFAOYSA-N -1 3 381.322 3.471 20 0 GGADHM CSc1nnc(NC(=O)COc2ccc3ccccc3c2Br)[n-]1 ZINC000523312048 567149409 /nfs/dbraw/zinc/14/94/09/567149409.db2.gz SXOXTSQDBULUKY-UHFFFAOYSA-N -1 3 393.266 3.460 20 0 GGADHM CSc1n[n-]c(NC(=O)COc2ccc3ccccc3c2Br)n1 ZINC000523312048 567149411 /nfs/dbraw/zinc/14/94/11/567149411.db2.gz SXOXTSQDBULUKY-UHFFFAOYSA-N -1 3 393.266 3.460 20 0 GGADHM CSc1nc(NC(=O)COc2ccc3ccccc3c2Br)n[n-]1 ZINC000523312048 567149417 /nfs/dbraw/zinc/14/94/17/567149417.db2.gz SXOXTSQDBULUKY-UHFFFAOYSA-N -1 3 393.266 3.460 20 0 GGADHM CCc1nocc1C(=O)[N-]c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000636454658 567152195 /nfs/dbraw/zinc/15/21/95/567152195.db2.gz IFDKUIBSIYBKPZ-UHFFFAOYSA-N -1 3 385.873 3.173 20 0 GGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000615002829 567152296 /nfs/dbraw/zinc/15/22/96/567152296.db2.gz VDNOZVWNQAEFPJ-UHFFFAOYSA-N -1 3 380.857 3.139 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)n(C2CCN(C)CC2)n1 ZINC000432354122 567153228 /nfs/dbraw/zinc/15/32/28/567153228.db2.gz TWRURKOWSQJQJF-UHFFFAOYSA-N -1 3 382.917 3.221 20 0 GGADHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000498118916 567153369 /nfs/dbraw/zinc/15/33/69/567153369.db2.gz ZPVZVQKSPYLIJG-UHFFFAOYSA-N -1 3 385.463 3.081 20 0 GGADHM COc1cnc([N-]S(=O)(=O)Cc2ccc(C)cc2F)c(Br)c1 ZINC000566389153 567154174 /nfs/dbraw/zinc/15/41/74/567154174.db2.gz NXNPEJOFHWWZSV-UHFFFAOYSA-N -1 3 389.246 3.242 20 0 GGADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000566368840 567154305 /nfs/dbraw/zinc/15/43/05/567154305.db2.gz SSHNFHRVFPPPRT-SJORKVTESA-N -1 3 398.297 3.030 20 0 GGADHM CO[C@H](c1ccccc1)[C@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000683816695 567154838 /nfs/dbraw/zinc/15/48/38/567154838.db2.gz VVPCBGZONARFHD-LRDDRELGSA-N -1 3 388.942 3.046 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)n(C2CCN(C)CC2)n1 ZINC000432372591 567154863 /nfs/dbraw/zinc/15/48/63/567154863.db2.gz IOMOWEBEGIXRQJ-UHFFFAOYSA-N -1 3 382.917 3.221 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000566406652 567155658 /nfs/dbraw/zinc/15/56/58/567155658.db2.gz GYAZWNNDGQKFEW-ZDUSSCGKSA-N -1 3 383.853 3.068 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000589126189 567156990 /nfs/dbraw/zinc/15/69/90/567156990.db2.gz BEVNIOHSSFONTJ-YPMHNXCESA-N -1 3 397.440 3.027 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000589126186 567157555 /nfs/dbraw/zinc/15/75/55/567157555.db2.gz BEVNIOHSSFONTJ-DGCLKSJQSA-N -1 3 397.440 3.027 20 0 GGADHM CC(C)CO[C@@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000523504973 567158731 /nfs/dbraw/zinc/15/87/31/567158731.db2.gz CGFHBACPDZOSRR-JTQLQIEISA-N -1 3 384.249 3.400 20 0 GGADHM COc1cc(C[N-]S(=O)(=O)c2cccc(F)c2F)ccc1OC(F)F ZINC000523501437 567159272 /nfs/dbraw/zinc/15/92/72/567159272.db2.gz PNIMDQABYJHSHK-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546801171 567161216 /nfs/dbraw/zinc/16/12/16/567161216.db2.gz BETAOIWORPRNFM-RYUDHWBXSA-N -1 3 393.347 3.077 20 0 GGADHM O=C(CNC(=O)c1cc([O-])ccc1Cl)Nc1cccc(Br)c1 ZINC000498244412 567161283 /nfs/dbraw/zinc/16/12/83/567161283.db2.gz SRHQMRHUXAEXQH-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM Cc1cc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)ccc1[O-] ZINC000615126119 567161476 /nfs/dbraw/zinc/16/14/76/567161476.db2.gz GIIFDMJZWJPCJK-CQSZACIVSA-N -1 3 377.238 3.152 20 0 GGADHM Cc1ccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c([O-])c1C ZINC000615127853 567162226 /nfs/dbraw/zinc/16/22/26/567162226.db2.gz ULNOOYKYRHAECF-AWEZNQCLSA-N -1 3 391.265 3.460 20 0 GGADHM C[C@@H]1C[C@@H]([N-]c2nc3cc(Cl)cc(Cl)c3o2)C(=O)N1c1cnn(C)c1 ZINC000683932812 567162243 /nfs/dbraw/zinc/16/22/43/567162243.db2.gz MNHLIZHBWRHKSR-AMIZOPFISA-N -1 3 380.235 3.474 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)c2ccc(Cl)c(Cl)c2)cn1C ZINC000589168918 567162523 /nfs/dbraw/zinc/16/25/23/567162523.db2.gz UECWVTPPORPRFJ-UHFFFAOYSA-N -1 3 376.309 3.291 20 0 GGADHM CCc1ocnc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000523561979 567162546 /nfs/dbraw/zinc/16/25/46/567162546.db2.gz KJPLIXPTBPGAHA-UHFFFAOYSA-N -1 3 379.189 3.203 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000589172535 567163178 /nfs/dbraw/zinc/16/31/78/567163178.db2.gz OIMSFSJGVJQRCS-UHFFFAOYSA-N -1 3 376.375 3.496 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474372085 567164103 /nfs/dbraw/zinc/16/41/03/567164103.db2.gz FLJDJKDAUQESDF-LBPRGKRZSA-N -1 3 390.292 3.155 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1 ZINC000683936124 567164127 /nfs/dbraw/zinc/16/41/27/567164127.db2.gz MVTRCOOOZSPWHB-UHFFFAOYSA-N -1 3 384.860 3.267 20 0 GGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N(C)C)nc2)c(Br)c1 ZINC000566535089 567164923 /nfs/dbraw/zinc/16/49/23/567164923.db2.gz QZKBLFRXEKAXTC-UHFFFAOYSA-N -1 3 384.299 3.328 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cncc(F)c1 ZINC000474380210 567165300 /nfs/dbraw/zinc/16/53/00/567165300.db2.gz YSJZEPVUESKHLJ-LBPRGKRZSA-N -1 3 390.267 3.085 20 0 GGADHM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1(C)C ZINC000474378634 567165381 /nfs/dbraw/zinc/16/53/81/567165381.db2.gz RJZDXDOKARZEND-BLLLJJGKSA-N -1 3 396.336 3.146 20 0 GGADHM CN(CCc1ccccn1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000523651014 567165406 /nfs/dbraw/zinc/16/54/06/567165406.db2.gz VFECHLIOFZWYBZ-UHFFFAOYSA-N -1 3 386.249 3.000 20 0 GGADHM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1(C)C ZINC000474378635 567165424 /nfs/dbraw/zinc/16/54/24/567165424.db2.gz RJZDXDOKARZEND-LRDDRELGSA-N -1 3 396.336 3.146 20 0 GGADHM CC(C)CCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474379440 567165562 /nfs/dbraw/zinc/16/55/62/567165562.db2.gz UVUPQHAUMUQIKH-ZDUSSCGKSA-N -1 3 379.309 3.064 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)CCC2CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000474382335 567165601 /nfs/dbraw/zinc/16/56/01/567165601.db2.gz QYHAUMPTWLMSHM-CQSZACIVSA-N -1 3 391.320 3.208 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccco2)CCCN1c1ccc(Cl)cc1Cl ZINC000474381734 567165633 /nfs/dbraw/zinc/16/56/33/567165633.db2.gz YWBZMDLKWRFBBX-LBPRGKRZSA-N -1 3 389.260 3.060 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1Br ZINC000546877053 567166320 /nfs/dbraw/zinc/16/63/20/567166320.db2.gz JFBAOHBRXWOFEH-UHFFFAOYSA-N -1 3 388.205 3.221 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(C)C ZINC000474387084 567167264 /nfs/dbraw/zinc/16/72/64/567167264.db2.gz AMKQFIIUXUWMBF-UKRRQHHQSA-N -1 3 393.933 3.093 20 0 GGADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523684681 567167415 /nfs/dbraw/zinc/16/74/15/567167415.db2.gz NPYIEOPCWQEEKH-CYBMUJFWSA-N -1 3 376.869 3.014 20 0 GGADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523684682 567167941 /nfs/dbraw/zinc/16/79/41/567167941.db2.gz NPYIEOPCWQEEKH-ZDUSSCGKSA-N -1 3 376.869 3.014 20 0 GGADHM COc1ccc(CNC(C)(C)C(=O)NCC2CCCC2)c(Br)c1[O-] ZINC000546882478 567168373 /nfs/dbraw/zinc/16/83/73/567168373.db2.gz DJJAXAAUMYHPNQ-UHFFFAOYSA-N -1 3 399.329 3.338 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3nc(C)ncc3C2)c1Cl ZINC000615210582 567168746 /nfs/dbraw/zinc/16/87/46/567168746.db2.gz FXMFKVJKOGENQL-GFCCVEGCSA-N -1 3 386.304 3.236 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2c(C)cccc2C)s1 ZINC000546884451 567168825 /nfs/dbraw/zinc/16/88/25/567168825.db2.gz LIXUNBYRXVKQDD-GFCCVEGCSA-N -1 3 383.491 3.200 20 0 GGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000546889515 567170427 /nfs/dbraw/zinc/17/04/27/567170427.db2.gz ZVHJSWQRYIAQOM-MRVPVSSYSA-N -1 3 390.221 3.467 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1Br ZINC000523763920 567171188 /nfs/dbraw/zinc/17/11/88/567171188.db2.gz YJSGOKFCSHBIKW-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM COc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(Br)c1[O-] ZINC000546912068 567171809 /nfs/dbraw/zinc/17/18/09/567171809.db2.gz TYJXIAONFQNMDI-AWEZNQCLSA-N -1 3 388.225 3.010 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 ZINC000546955519 567172944 /nfs/dbraw/zinc/17/29/44/567172944.db2.gz FEOGCDOVIWSQCY-UHFFFAOYSA-N -1 3 385.232 3.477 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cnnn1-c1cccc(F)c1 ZINC000684055614 567173295 /nfs/dbraw/zinc/17/32/95/567173295.db2.gz CYYBCFFNZDROHG-UHFFFAOYSA-N -1 3 377.173 3.127 20 0 GGADHM COCC[C@@H](Cc1ccco1)NCc1ccc(OC)c([O-])c1Br ZINC000546962942 567174794 /nfs/dbraw/zinc/17/47/94/567174794.db2.gz OFZXBGFVMVKSDU-ZDUSSCGKSA-N -1 3 384.270 3.494 20 0 GGADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1ccc(Br)s1 ZINC000615274611 567175846 /nfs/dbraw/zinc/17/58/46/567175846.db2.gz HKWVVBKZPVTIGF-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000547276214 567195148 /nfs/dbraw/zinc/19/51/48/567195148.db2.gz BLCAVOXFDLAEMQ-UHFFFAOYSA-N -1 3 399.763 3.094 20 0 GGADHM O=S(=O)([N-]Cc1ccncc1OCC(F)(F)F)c1ccc(Cl)s1 ZINC000546974119 567177012 /nfs/dbraw/zinc/17/70/12/567177012.db2.gz PTTBIUOCSYYXGF-UHFFFAOYSA-N -1 3 386.804 3.216 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2F)cc1OC ZINC000615293465 567177317 /nfs/dbraw/zinc/17/73/17/567177317.db2.gz SJIFVFDVMRORFI-SECBINFHSA-N -1 3 375.368 3.161 20 0 GGADHM COC(=O)Cc1occc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000589380339 567177309 /nfs/dbraw/zinc/17/73/09/567177309.db2.gz PRBNNIXKOMWHKA-UHFFFAOYSA-N -1 3 377.809 3.419 20 0 GGADHM Cc1cc(Br)oc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000547012696 567177951 /nfs/dbraw/zinc/17/79/51/567177951.db2.gz WJMXVILEOIIJRT-UHFFFAOYSA-N -1 3 398.238 3.439 20 0 GGADHM COC(=O)c1cnc(SCCOc2cc(F)cc(Br)c2)[n-]1 ZINC000432652934 567177982 /nfs/dbraw/zinc/17/79/82/567177982.db2.gz CYXHDZUKGAKHAT-UHFFFAOYSA-N -1 3 375.219 3.269 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1csc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000684100693 567178334 /nfs/dbraw/zinc/17/83/34/567178334.db2.gz FGBOMELMASPEAE-AWEZNQCLSA-N -1 3 394.440 3.277 20 0 GGADHM CC(C)c1nc2ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc2s1 ZINC000432676367 567180675 /nfs/dbraw/zinc/18/06/75/567180675.db2.gz FSKMIZICWNUCQP-AWEZNQCLSA-N -1 3 383.539 3.322 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000474587162 567181375 /nfs/dbraw/zinc/18/13/75/567181375.db2.gz RQFLPXBQILBZIN-FZKQIMNGSA-N -1 3 382.913 3.318 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N(CC)Cc2ccc(CN(C)C)cc2)s1 ZINC000524071353 567181391 /nfs/dbraw/zinc/18/13/91/567181391.db2.gz UKUWCWJSWYKGDS-UHFFFAOYSA-N -1 3 379.555 3.188 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1ccccc1 ZINC000566704284 567181984 /nfs/dbraw/zinc/18/19/84/567181984.db2.gz NMZOMSWUPDAZNB-KBPBESRZSA-N -1 3 381.416 3.331 20 0 GGADHM Cc1cc(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)ccc1[O-] ZINC000498509785 567182411 /nfs/dbraw/zinc/18/24/11/567182411.db2.gz JLUFQOUAPSBPTQ-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2ccccc2Cl)c2ccccc2)c1 ZINC000524106227 567183124 /nfs/dbraw/zinc/18/31/24/567183124.db2.gz ATJSESGNNHTCOG-KRWDZBQOSA-N -1 3 375.881 3.336 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-][C@H](Cc2ccccc2Cl)c2ccccc2)c1 ZINC000524106228 567183602 /nfs/dbraw/zinc/18/36/02/567183602.db2.gz ATJSESGNNHTCOG-QGZVFWFLSA-N -1 3 375.881 3.336 20 0 GGADHM CSc1nnc(NC(=O)c2ccc(I)cc2Cl)[n-]1 ZINC000524133031 567183957 /nfs/dbraw/zinc/18/39/57/567183957.db2.gz DBPRWDFZNMRAAW-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1n[n-]c(NC(=O)c2ccc(I)cc2Cl)n1 ZINC000524133031 567183961 /nfs/dbraw/zinc/18/39/61/567183961.db2.gz DBPRWDFZNMRAAW-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1nc(NC(=O)c2ccc(I)cc2Cl)n[n-]1 ZINC000524133031 567183963 /nfs/dbraw/zinc/18/39/63/567183963.db2.gz DBPRWDFZNMRAAW-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)cc1 ZINC000547119887 567184919 /nfs/dbraw/zinc/18/49/19/567184919.db2.gz GVXLGXVFNIIOJG-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000432768309 567186877 /nfs/dbraw/zinc/18/68/77/567186877.db2.gz XDVWYFXRJDDJFG-UHFFFAOYSA-N -1 3 385.869 3.483 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000524189044 567187242 /nfs/dbraw/zinc/18/72/42/567187242.db2.gz SKMCGAXMDXLEEP-CYBMUJFWSA-N -1 3 387.910 3.488 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589695264 567189636 /nfs/dbraw/zinc/18/96/36/567189636.db2.gz WTYGZQNLSFUGAE-LLVKDONJSA-N -1 3 381.259 3.176 20 0 GGADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000589682165 567190094 /nfs/dbraw/zinc/19/00/94/567190094.db2.gz UIGCAHJZTLBNBT-VIFPVBQESA-N -1 3 385.222 3.445 20 0 GGADHM O=C(CCOc1ccccc1F)N=c1cc2ccc(Br)cn2[n-]1 ZINC000432780620 567190270 /nfs/dbraw/zinc/19/02/70/567190270.db2.gz IKWHWTIJLSGKDY-UHFFFAOYSA-N -1 3 378.201 3.065 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000566816871 567191891 /nfs/dbraw/zinc/19/18/91/567191891.db2.gz IKDXOXIXCAUNHW-JTQLQIEISA-N -1 3 378.219 3.375 20 0 GGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)o1 ZINC000589699885 567191903 /nfs/dbraw/zinc/19/19/03/567191903.db2.gz VNUAIPMWHVSJPZ-UHFFFAOYSA-N -1 3 383.369 3.015 20 0 GGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000566816873 567192702 /nfs/dbraw/zinc/19/27/02/567192702.db2.gz IKDXOXIXCAUNHW-SNVBAGLBSA-N -1 3 378.219 3.375 20 0 GGADHM O=C(c1csc(=O)[n-]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000684256626 567192824 /nfs/dbraw/zinc/19/28/24/567192824.db2.gz LENYRNUNWMYDAM-UHFFFAOYSA-N -1 3 378.251 3.291 20 0 GGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000524320816 567193833 /nfs/dbraw/zinc/19/38/33/567193833.db2.gz QFDAIDLVSKELFO-UHFFFAOYSA-N -1 3 385.486 3.413 20 0 GGADHM O=C(c1csc(=O)[n-]1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000684264797 567194408 /nfs/dbraw/zinc/19/44/08/567194408.db2.gz USRXQCHCWDEESP-UHFFFAOYSA-N -1 3 378.251 3.291 20 0 GGADHM O=S(=O)([N-]CCN=c1[nH]c2cc(Cl)cc(Cl)c2o1)c1cccs1 ZINC000432837350 567197163 /nfs/dbraw/zinc/19/71/63/567197163.db2.gz ZVZNOXKHCCYYFN-UHFFFAOYSA-N -1 3 392.289 3.008 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000589888309 567197854 /nfs/dbraw/zinc/19/78/54/567197854.db2.gz WVDWVFVGYYNQCU-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n[nH]1 ZINC000547301493 567198968 /nfs/dbraw/zinc/19/89/68/567198968.db2.gz ZEZCPHWIKLURQW-UHFFFAOYSA-N -1 3 379.825 3.194 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1c(Cl)cccc1Cl ZINC000498767102 567199364 /nfs/dbraw/zinc/19/93/64/567199364.db2.gz UALLVGLYPIBWFI-UHFFFAOYSA-N -1 3 389.260 3.382 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2Cl)s1 ZINC000524416112 567199598 /nfs/dbraw/zinc/19/95/98/567199598.db2.gz MBSCATMHJFTKLY-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000589976725 567200903 /nfs/dbraw/zinc/20/09/03/567200903.db2.gz PSPGIKMOFJMDBT-UHFFFAOYSA-N -1 3 389.260 3.096 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000547343362 567203384 /nfs/dbraw/zinc/20/33/84/567203384.db2.gz GSOYZUPMRWPDPW-GJZGRUSLSA-N -1 3 381.391 3.328 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1c(Cl)ccc(C(=O)OC)c1C ZINC000547341314 567203549 /nfs/dbraw/zinc/20/35/49/567203549.db2.gz DRVXUBRYCCGEMO-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)c2ccccc21 ZINC000498849911 567206449 /nfs/dbraw/zinc/20/64/49/567206449.db2.gz LQQGAISARCAYEM-ZDUSSCGKSA-N -1 3 384.226 3.194 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(Cc3cccs3)no2)ccc1F ZINC000524632127 567206629 /nfs/dbraw/zinc/20/66/29/567206629.db2.gz UBIHFMQVZGBWBJ-UHFFFAOYSA-N -1 3 381.454 3.215 20 0 GGADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000432962571 567208916 /nfs/dbraw/zinc/20/89/16/567208916.db2.gz XANONENRGSYZHG-UHFFFAOYSA-N -1 3 395.318 3.135 20 0 GGADHM CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](c2ccccc2)C1 ZINC000498908801 567211876 /nfs/dbraw/zinc/21/18/76/567211876.db2.gz UNNHMUIQRHLURW-BBRMVZONSA-N -1 3 385.316 3.370 20 0 GGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)CO2 ZINC000547479598 567213994 /nfs/dbraw/zinc/21/39/94/567213994.db2.gz MVXAUMMUXFFDIA-ZDUSSCGKSA-N -1 3 386.242 3.309 20 0 GGADHM O=S(=O)([N-]CCNc1cc[nH+]c2c([O-])cccc12)c1ccc(Cl)s1 ZINC000684578429 567218073 /nfs/dbraw/zinc/21/80/73/567218073.db2.gz PYSYUSWFZBCVRR-UHFFFAOYSA-N -1 3 383.882 3.046 20 0 GGADHM O=C(COCC1CC1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000590314902 567219754 /nfs/dbraw/zinc/21/97/54/567219754.db2.gz GWAUUDXTXMBTHX-UHFFFAOYSA-N -1 3 384.661 3.280 20 0 GGADHM COC(=O)c1cc(C(=O)N2CCc3cc(Br)c(Cl)cc32)c[n-]1 ZINC000590338299 567221095 /nfs/dbraw/zinc/22/10/95/567221095.db2.gz WXURXBJBNNGONF-UHFFFAOYSA-N -1 3 383.629 3.420 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)C2(Cc3ccccc3Br)CC2)[n-]1 ZINC000590341198 567221173 /nfs/dbraw/zinc/22/11/73/567221173.db2.gz HEALOMYWYBRRMD-UHFFFAOYSA-N -1 3 392.253 3.310 20 0 GGADHM CCOC(=O)c1nc(NC(=O)C2(Cc3ccccc3Br)CC2)c[n-]1 ZINC000590341198 567221178 /nfs/dbraw/zinc/22/11/78/567221178.db2.gz HEALOMYWYBRRMD-UHFFFAOYSA-N -1 3 392.253 3.310 20 0 GGADHM C[C@](CO)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)cc(Cl)c1 ZINC000616077461 567224995 /nfs/dbraw/zinc/22/49/95/567224995.db2.gz VTBWLVXKBPBUKF-QGZVFWFLSA-N -1 3 382.247 3.004 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000684658537 567225215 /nfs/dbraw/zinc/22/52/15/567225215.db2.gz HXPSNVYHZOSCMV-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cc(F)ccc1F)c1ccc(Cl)cc1Cl ZINC000684658035 567225299 /nfs/dbraw/zinc/22/52/99/567225299.db2.gz TXAMOVUYZSQALW-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c(C)c(F)ccc3Cl)cc21 ZINC000433134239 567226029 /nfs/dbraw/zinc/22/60/29/567226029.db2.gz QGQHXRIWOGGPGV-UHFFFAOYSA-N -1 3 382.844 3.497 20 0 GGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804957 567226238 /nfs/dbraw/zinc/22/62/38/567226238.db2.gz ISJIYPOQEWKAMN-NXHRZFHOSA-N -1 3 380.282 3.467 20 0 GGADHM CCS(=O)(=O)CCCCCN1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659796695 567226348 /nfs/dbraw/zinc/22/63/48/567226348.db2.gz JIQGEGBKXYPPOK-SJORKVTESA-N -1 3 387.929 3.045 20 0 GGADHM O=C([O-])[C@H](c1ccccc1Br)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804703 567226662 /nfs/dbraw/zinc/22/66/62/567226662.db2.gz DKFIFSDFVUCYDF-RYQLBKOJSA-N -1 3 380.282 3.467 20 0 GGADHM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000684659566 567226752 /nfs/dbraw/zinc/22/67/52/567226752.db2.gz JFAHWONYUHEXSH-ZDUSSCGKSA-N -1 3 391.320 3.063 20 0 GGADHM O=C([O-])[C@]12CN(Cc3cc4c(cc3Br)OCO4)C[C@H]1CCCC2 ZINC000659798855 567226871 /nfs/dbraw/zinc/22/68/71/567226871.db2.gz TUEPJGYMIDWGON-SJKOYZFVSA-N -1 3 382.254 3.255 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1C ZINC000525175869 567232592 /nfs/dbraw/zinc/23/25/92/567232592.db2.gz VIPLPLNNUBTPKI-UHFFFAOYSA-N -1 3 392.308 3.314 20 0 GGADHM CCC[C@@H](C)S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000567277575 567232693 /nfs/dbraw/zinc/23/26/93/567232693.db2.gz HVADSSUGGNFKSD-GFCCVEGCSA-N -1 3 388.917 3.215 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(C2CC2)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000525186154 567232947 /nfs/dbraw/zinc/23/29/47/567232947.db2.gz PFGQAKVQWHKMIX-GFCCVEGCSA-N -1 3 397.953 3.226 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccs1 ZINC000567281580 567233720 /nfs/dbraw/zinc/23/37/20/567233720.db2.gz FZSIYXORFKZBKP-AWEZNQCLSA-N -1 3 379.425 3.204 20 0 GGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590592254 567234059 /nfs/dbraw/zinc/23/40/59/567234059.db2.gz RGLBLTZJBXMZKT-RYUDHWBXSA-N -1 3 378.947 3.155 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000499263939 567234269 /nfs/dbraw/zinc/23/42/69/567234269.db2.gz GWXPOZVQYVVCDT-UHFFFAOYSA-N -1 3 379.825 3.112 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])n1nnc(-c2ccccc2)n1 ZINC000525192019 567234597 /nfs/dbraw/zinc/23/45/97/567234597.db2.gz WIDSXNULDMEJBQ-JTQLQIEISA-N -1 3 388.225 3.008 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000684914020 567245288 /nfs/dbraw/zinc/24/52/88/567245288.db2.gz NUKRONJTUNPUME-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)s1 ZINC000684764275 567235268 /nfs/dbraw/zinc/23/52/68/567235268.db2.gz JOWYRYOHPUDPDS-NZVBXONLSA-N -1 3 398.937 3.433 20 0 GGADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1ncccc1Cl ZINC000433233061 567235693 /nfs/dbraw/zinc/23/56/93/567235693.db2.gz FGNUOHLOZPMTRU-UHFFFAOYSA-N -1 3 392.644 3.390 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)s1 ZINC000590609807 567235727 /nfs/dbraw/zinc/23/57/27/567235727.db2.gz RVBJTQPPRARPCY-JQRITLKVSA-N -1 3 378.519 3.170 20 0 GGADHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000590610887 567235793 /nfs/dbraw/zinc/23/57/93/567235793.db2.gz JSJHRINRPMYDLD-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000590610900 567235959 /nfs/dbraw/zinc/23/59/59/567235959.db2.gz KWCWLYCXHVOKHO-GFCCVEGCSA-N -1 3 388.272 3.284 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H](C)S1 ZINC000525205844 567235969 /nfs/dbraw/zinc/23/59/69/567235969.db2.gz URNLXVBDGGREPT-UWVGGRQHSA-N -1 3 381.295 3.257 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)c1ccc(Cl)s1 ZINC000659907955 567238423 /nfs/dbraw/zinc/23/84/23/567238423.db2.gz BOVZQMISABCRDS-WFASDCNBSA-N -1 3 381.947 3.356 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCCc2sccc21 ZINC000684784597 567238552 /nfs/dbraw/zinc/23/85/52/567238552.db2.gz MGLYEHHWEAOWGC-UHFFFAOYSA-N -1 3 390.939 3.111 20 0 GGADHM CCc1nc(S(=O)(=O)[N-][C@](C)(CC)c2nc(C)cs2)cn1CC1CC1 ZINC000659915229 567238941 /nfs/dbraw/zinc/23/89/41/567238941.db2.gz RQSMSDXQYBYYRY-QGZVFWFLSA-N -1 3 382.555 3.224 20 0 GGADHM CCc1nc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)cn1CC1CC1 ZINC000659914241 567238965 /nfs/dbraw/zinc/23/89/65/567238965.db2.gz JKFHQTGQMOOWHU-MRXNPFEDSA-N -1 3 380.539 3.050 20 0 GGADHM CC(C)C[C@H]1CCCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000525265923 567240129 /nfs/dbraw/zinc/24/01/29/567240129.db2.gz WPICWYGVPYZSSP-CYBMUJFWSA-N -1 3 392.974 3.497 20 0 GGADHM COc1cc(C[N-]S(=O)(=O)c2ccccc2SC)ccc1OC(F)F ZINC000547714599 567241999 /nfs/dbraw/zinc/24/19/99/567241999.db2.gz MTKXMVMIVGSMHN-UHFFFAOYSA-N -1 3 389.445 3.497 20 0 GGADHM COC(=O)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000433316104 567242246 /nfs/dbraw/zinc/24/22/46/567242246.db2.gz HDAFZRHNNHNAAO-AWEZNQCLSA-N -1 3 398.640 3.452 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1cccs1 ZINC000590741574 567242663 /nfs/dbraw/zinc/24/26/63/567242663.db2.gz LNAKZSVLYTXGKM-RYUDHWBXSA-N -1 3 381.466 3.097 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000567409656 567242867 /nfs/dbraw/zinc/24/28/67/567242867.db2.gz MPIMDRFSZAWRFO-UHFFFAOYSA-N -1 3 382.791 3.451 20 0 GGADHM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547742900 567243162 /nfs/dbraw/zinc/24/31/62/567243162.db2.gz OTONRTKOZSLJER-AAEUAGOBSA-N -1 3 393.281 3.056 20 0 GGADHM CCn1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1=O ZINC000433351351 567244438 /nfs/dbraw/zinc/24/44/38/567244438.db2.gz IMGYUCWPPPBUOY-UHFFFAOYSA-N -1 3 376.865 3.153 20 0 GGADHM CCc1nc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)cn1CC1CC1 ZINC000659972862 567244500 /nfs/dbraw/zinc/24/45/00/567244500.db2.gz YOJABZJRQMHCBM-AWEZNQCLSA-N -1 3 377.535 3.023 20 0 GGADHM COc1ccc(CNc2ccc(CCO)cc2OC)c(Br)c1[O-] ZINC000567428903 567244522 /nfs/dbraw/zinc/24/45/22/567244522.db2.gz WYFMWIVOXQJHEH-UHFFFAOYSA-N -1 3 382.254 3.319 20 0 GGADHM CCOCc1nc(C)c(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])s1 ZINC000590759594 567245164 /nfs/dbraw/zinc/24/51/64/567245164.db2.gz PGTSZEVKVNXBBO-UHFFFAOYSA-N -1 3 384.841 3.386 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCO[C@@H]1C1CC1 ZINC000684917275 567245072 /nfs/dbraw/zinc/24/50/72/567245072.db2.gz NKLXKGFZEJGYTM-KGLIPLIRSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCCCO1 ZINC000684916269 567245889 /nfs/dbraw/zinc/24/58/89/567245889.db2.gz QVPYITKMJAGDPS-SKDRFNHKSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000433365520 567246172 /nfs/dbraw/zinc/24/61/72/567246172.db2.gz LZVKONFAZRMALE-UHFFFAOYSA-N -1 3 383.872 3.314 20 0 GGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000433369838 567246276 /nfs/dbraw/zinc/24/62/76/567246276.db2.gz AISDMQXOPJCVEB-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000433369838 567246279 /nfs/dbraw/zinc/24/62/79/567246279.db2.gz AISDMQXOPJCVEB-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433369838 567246284 /nfs/dbraw/zinc/24/62/84/567246284.db2.gz AISDMQXOPJCVEB-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)c(Cl)c1Cl ZINC000475418308 567247341 /nfs/dbraw/zinc/24/73/41/567247341.db2.gz PPDGCWHMOQZMJE-UHFFFAOYSA-N -1 3 386.260 3.128 20 0 GGADHM O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1ccc(Br)cc1[O-] ZINC000684950744 567248289 /nfs/dbraw/zinc/24/82/89/567248289.db2.gz LKPVUNKIHQBNRE-GFCCVEGCSA-N -1 3 381.270 3.346 20 0 GGADHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000660027326 567249075 /nfs/dbraw/zinc/24/90/75/567249075.db2.gz NTTKTJVNBKMPKJ-SNVBAGLBSA-N -1 3 399.713 3.004 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000684969465 567249715 /nfs/dbraw/zinc/24/97/15/567249715.db2.gz YSLJTNXFKJPYMD-LLVKDONJSA-N -1 3 379.247 3.026 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1Cl ZINC000660040813 567252352 /nfs/dbraw/zinc/25/23/52/567252352.db2.gz FBWJGANVLWKVPR-LLVKDONJSA-N -1 3 393.336 3.227 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[n-]1 ZINC000590861100 567253730 /nfs/dbraw/zinc/25/37/30/567253730.db2.gz SOLBRWIUJLTEEG-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c[n-]1 ZINC000590861100 567253739 /nfs/dbraw/zinc/25/37/39/567253739.db2.gz SOLBRWIUJLTEEG-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525534481 567253825 /nfs/dbraw/zinc/25/38/25/567253825.db2.gz FDYDOOPRNRWGIW-UHFFFAOYSA-N -1 3 375.837 3.049 20 0 GGADHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OCC ZINC000433476095 567253938 /nfs/dbraw/zinc/25/39/38/567253938.db2.gz XGRLYVRLLZWXJK-SNVBAGLBSA-N -1 3 398.308 3.260 20 0 GGADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1ccc2c(c1)OCCCO2 ZINC000567536948 567254648 /nfs/dbraw/zinc/25/46/48/567254648.db2.gz RRDNAKNMIMCAMQ-UHFFFAOYSA-N -1 3 381.837 3.237 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1Cl)C1CCCC1 ZINC000660063172 567254952 /nfs/dbraw/zinc/25/49/52/567254952.db2.gz RDIIALBBTGGXJG-HUUCEWRRSA-N -1 3 396.336 3.151 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1Cl)C1Cc2ccccc2C1 ZINC000660064089 567255331 /nfs/dbraw/zinc/25/53/31/567255331.db2.gz ZSRUJBFOCPJMBQ-MRXNPFEDSA-N -1 3 386.300 3.114 20 0 GGADHM O=S(=O)(CCc1cccs1)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000660062615 567255699 /nfs/dbraw/zinc/25/56/99/567255699.db2.gz LPJKOHHHHGIGHQ-ZDUSSCGKSA-N -1 3 380.318 3.250 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000660064045 567256104 /nfs/dbraw/zinc/25/61/04/567256104.db2.gz ZFKAFFOTGQZMOA-LLVKDONJSA-N -1 3 381.306 3.079 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](OC)[C@@H](C)CC)c(F)cc1F ZINC000475535288 567256371 /nfs/dbraw/zinc/25/63/71/567256371.db2.gz GCWOAVDASLORRA-BONVTDFDSA-N -1 3 378.441 3.116 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000475562663 567257980 /nfs/dbraw/zinc/25/79/80/567257980.db2.gz OPADCDSAVUNVLL-UHFFFAOYSA-N -1 3 389.926 3.338 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000660076148 567258155 /nfs/dbraw/zinc/25/81/55/567258155.db2.gz GUQGDHTUPZBFRI-UHFFFAOYSA-N -1 3 392.246 3.101 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1[nH]c2ccccc2c1Br ZINC000616826706 567258206 /nfs/dbraw/zinc/25/82/06/567258206.db2.gz QABCJYBBNWNZAC-LBPRGKRZSA-N -1 3 375.226 3.179 20 0 GGADHM Cc1ccc(OCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(Br)c1 ZINC000616826300 567258223 /nfs/dbraw/zinc/25/82/23/567258223.db2.gz KSTMWHLZYVLRQG-OAHLLOKOSA-N -1 3 394.269 3.162 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000660079500 567258656 /nfs/dbraw/zinc/25/86/56/567258656.db2.gz KOXJHWBXUZDOGC-UHFFFAOYSA-N -1 3 388.283 3.352 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2sc(C)cc2Br)s1 ZINC000590986815 567259695 /nfs/dbraw/zinc/25/96/95/567259695.db2.gz RJOVETXOSJBPSB-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)s1 ZINC000660091975 567260204 /nfs/dbraw/zinc/26/02/04/567260204.db2.gz NPASAMGEBNKFTE-UHFFFAOYSA-N -1 3 384.567 3.064 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2nc(N3CCCC3)ncc2Cl)c(C)s1 ZINC000591009515 567260532 /nfs/dbraw/zinc/26/05/32/567260532.db2.gz UHXFPBYNPKZIEG-UHFFFAOYSA-N -1 3 380.857 3.139 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1nccn1C ZINC000660101042 567261175 /nfs/dbraw/zinc/26/11/75/567261175.db2.gz OKNPDLILPLCCDG-ZETCQYMHSA-N -1 3 396.669 3.015 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000433614387 567261354 /nfs/dbraw/zinc/26/13/54/567261354.db2.gz CVWRYEILQJYPAL-MRXNPFEDSA-N -1 3 382.507 3.207 20 0 GGADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000433612962 567261774 /nfs/dbraw/zinc/26/17/74/567261774.db2.gz QTZPDGGWGJKJHW-UHFFFAOYSA-N -1 3 383.853 3.309 20 0 GGADHM COc1cnc([N-]C(=O)c2cc(COC(C)(C)C)on2)c(Br)c1 ZINC000685227772 567262150 /nfs/dbraw/zinc/26/21/50/567262150.db2.gz AQIQYKSVQJOEMQ-UHFFFAOYSA-N -1 3 384.230 3.408 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2scnc2C)c(F)cc1F ZINC000591045562 567262301 /nfs/dbraw/zinc/26/23/01/567262301.db2.gz SWDIQCSPZRRAIB-UHFFFAOYSA-N -1 3 375.422 3.134 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCOc2ccccc2F)sc1Br ZINC000433629568 567262439 /nfs/dbraw/zinc/26/24/39/567262439.db2.gz XNXSGPLHQCXQGA-UHFFFAOYSA-N -1 3 394.287 3.315 20 0 GGADHM NC(=O)[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1ccccc1 ZINC000433629100 567262716 /nfs/dbraw/zinc/26/27/16/567262716.db2.gz RRJBDTZYDRXNED-OAHLLOKOSA-N -1 3 380.878 3.060 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)s1 ZINC000433638540 567262959 /nfs/dbraw/zinc/26/29/59/567262959.db2.gz UKAKJWHAUHWHRT-UHFFFAOYSA-N -1 3 380.413 3.180 20 0 GGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@@H]12)c1cc(Br)sc1Cl ZINC000433625295 567263397 /nfs/dbraw/zinc/26/33/97/567263397.db2.gz LBRNVKCMBVNQQG-IUCAKERBSA-N -1 3 399.763 3.069 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000591055698 567263382 /nfs/dbraw/zinc/26/33/82/567263382.db2.gz MDTXMAVTYLFUEX-UHFFFAOYSA-N -1 3 395.893 3.109 20 0 GGADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000475649857 567264352 /nfs/dbraw/zinc/26/43/52/567264352.db2.gz LJKKBOQXRFPPCZ-RNCFNFMXSA-N -1 3 382.404 3.077 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccc(Cl)cc2)s1 ZINC000433652389 567264426 /nfs/dbraw/zinc/26/44/26/567264426.db2.gz ZMJIOHVQCJTVPW-AWEZNQCLSA-N -1 3 396.925 3.215 20 0 GGADHM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2s1 ZINC000433639379 567264612 /nfs/dbraw/zinc/26/46/12/567264612.db2.gz NFCIPQUBTSECGB-AWEZNQCLSA-N -1 3 389.926 3.419 20 0 GGADHM CC(C)CO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000525755982 567264842 /nfs/dbraw/zinc/26/48/42/567264842.db2.gz NKWWPQDWMMKNQT-VIFPVBQESA-N -1 3 385.237 3.373 20 0 GGADHM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1cc2cc(Cl)ccc2s1 ZINC000433639380 567265064 /nfs/dbraw/zinc/26/50/64/567265064.db2.gz NFCIPQUBTSECGB-CQSZACIVSA-N -1 3 389.926 3.419 20 0 GGADHM Cc1cc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)ccc1[O-] ZINC000499664256 567265167 /nfs/dbraw/zinc/26/51/67/567265167.db2.gz VKKWHRBNPZCSEX-UHFFFAOYSA-N -1 3 378.222 3.164 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccc(Cl)cc1 ZINC000567665079 567265225 /nfs/dbraw/zinc/26/52/25/567265225.db2.gz MMDPFMJUFWKHIW-CYBMUJFWSA-N -1 3 383.882 3.011 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)s1 ZINC000499690738 567265773 /nfs/dbraw/zinc/26/57/73/567265773.db2.gz BOBIOIBOQMRUTL-GTNSWQLSSA-N -1 3 398.937 3.251 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)c1ccccc1 ZINC000433679376 567265784 /nfs/dbraw/zinc/26/57/84/567265784.db2.gz UMMHMOSNDODURF-LBPRGKRZSA-N -1 3 390.324 3.485 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)s1 ZINC000499690737 567265985 /nfs/dbraw/zinc/26/59/85/567265985.db2.gz BOBIOIBOQMRUTL-DIFFPNOSSA-N -1 3 398.937 3.251 20 0 GGADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1ccccc1C ZINC000433691236 567267412 /nfs/dbraw/zinc/26/74/12/567267412.db2.gz YOGZJYJGYATIPH-HNNXBMFYSA-N -1 3 382.507 3.041 20 0 GGADHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000525835971 567268025 /nfs/dbraw/zinc/26/80/25/567268025.db2.gz ZVAIJTWETWGNLA-UHFFFAOYSA-N -1 3 399.310 3.152 20 0 GGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(Br)cn2C)[n-]1 ZINC000616917281 567268978 /nfs/dbraw/zinc/26/89/78/567268978.db2.gz QZBAHAQOAVHCRU-UHFFFAOYSA-N -1 3 397.273 3.282 20 0 GGADHM CCCCc1nc(NC(=O)c2cc(Br)cn2C)c(C(=O)OCC)[n-]1 ZINC000616917281 567268981 /nfs/dbraw/zinc/26/89/81/567268981.db2.gz QZBAHAQOAVHCRU-UHFFFAOYSA-N -1 3 397.273 3.282 20 0 GGADHM CCSCCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000499741170 567269883 /nfs/dbraw/zinc/26/98/83/567269883.db2.gz ICPVHMAHHYPSEU-UHFFFAOYSA-N -1 3 386.308 3.018 20 0 GGADHM CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc([O-])cc2Cl)s1 ZINC000616940884 567270173 /nfs/dbraw/zinc/27/01/73/567270173.db2.gz IWNJMQXMZVSAQT-UHFFFAOYSA-N -1 3 382.873 3.453 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000433740931 567270456 /nfs/dbraw/zinc/27/04/56/567270456.db2.gz FRLFKXAGAZOOQI-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(-c4nccs4)n3)[n-]2)c1 ZINC000685384600 567270741 /nfs/dbraw/zinc/27/07/41/567270741.db2.gz XHWWGEKGRQFKQD-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(-c4nccs4)n3)n2)c1 ZINC000685384600 567270749 /nfs/dbraw/zinc/27/07/49/567270749.db2.gz XHWWGEKGRQFKQD-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(-c4nccs4)n3)n[n-]2)c1 ZINC000685384600 567270755 /nfs/dbraw/zinc/27/07/55/567270755.db2.gz XHWWGEKGRQFKQD-UHFFFAOYSA-N -1 3 375.211 3.408 20 0 GGADHM C[C@@H]1C[C@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CO1 ZINC000685384319 567271038 /nfs/dbraw/zinc/27/10/38/567271038.db2.gz IOWDZNVYDATEOQ-SCZZXKLOSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1C[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CO1 ZINC000685384319 567271044 /nfs/dbraw/zinc/27/10/44/567271044.db2.gz IOWDZNVYDATEOQ-SCZZXKLOSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1C[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CO1 ZINC000685384319 567271050 /nfs/dbraw/zinc/27/10/50/567271050.db2.gz IOWDZNVYDATEOQ-SCZZXKLOSA-N -1 3 376.214 3.177 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)cc1F ZINC000475734801 567271962 /nfs/dbraw/zinc/27/19/62/567271962.db2.gz OXFPKCUPHVJZGD-OAHLLOKOSA-N -1 3 386.489 3.450 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000433766709 567271989 /nfs/dbraw/zinc/27/19/89/567271989.db2.gz RLBIPYAQXKGHJY-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1csc(CCc2ccccc2)n1 ZINC000433767716 567272098 /nfs/dbraw/zinc/27/20/98/567272098.db2.gz XTYNDBPGAFLWTJ-UHFFFAOYSA-N -1 3 377.491 3.012 20 0 GGADHM CCC(CC)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000591290005 567272713 /nfs/dbraw/zinc/27/27/13/567272713.db2.gz UWSAEGXOSCTYPV-UHFFFAOYSA-N -1 3 381.325 3.214 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCOC2CCCC2)sc1Br ZINC000433810840 567273881 /nfs/dbraw/zinc/27/38/81/567273881.db2.gz HGLIAAPTOOBTTO-UHFFFAOYSA-N -1 3 382.345 3.447 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1ccc(Br)cc1F ZINC000475778711 567275493 /nfs/dbraw/zinc/27/54/93/567275493.db2.gz IARKEAGLGZYBCJ-CYBMUJFWSA-N -1 3 386.242 3.260 20 0 GGADHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433843805 567276781 /nfs/dbraw/zinc/27/67/81/567276781.db2.gz OQLUIPXEMGRQRW-SNVBAGLBSA-N -1 3 375.899 3.421 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H](F)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000567774616 567277259 /nfs/dbraw/zinc/27/72/59/567277259.db2.gz ORLLYVYMJSUARC-BPLDGKMQSA-N -1 3 391.892 3.314 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H](F)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000567774617 567277346 /nfs/dbraw/zinc/27/73/46/567277346.db2.gz ORLLYVYMJSUARC-NWANDNLSSA-N -1 3 391.892 3.314 20 0 GGADHM CCc1nccn1C[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000548077121 567278823 /nfs/dbraw/zinc/27/88/23/567278823.db2.gz XIWPAGUYIQPHGC-HNNXBMFYSA-N -1 3 392.297 3.147 20 0 GGADHM CC(=O)N1CCC(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000591400082 567280998 /nfs/dbraw/zinc/28/09/98/567280998.db2.gz YWZAMHQVALKQBX-UHFFFAOYSA-N -1 3 393.336 3.147 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c2ncccc12)c1nc(C)cs1 ZINC000591399216 567281287 /nfs/dbraw/zinc/28/12/87/567281287.db2.gz ZFCBFWBNNVYJIU-CYBMUJFWSA-N -1 3 377.491 3.438 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591449973 567282833 /nfs/dbraw/zinc/28/28/33/567282833.db2.gz BGBONPZDDFELPT-UHFFFAOYSA-N -1 3 399.244 3.142 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000567842754 567282951 /nfs/dbraw/zinc/28/29/51/567282951.db2.gz AMQLGINMAJKHIP-LLVKDONJSA-N -1 3 381.391 3.472 20 0 GGADHM CO[C@]1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000526025521 567283289 /nfs/dbraw/zinc/28/32/89/567283289.db2.gz OSMAPKMCPBFKEV-GOSISDBHSA-N -1 3 393.281 3.322 20 0 GGADHM CSCCCCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000548150279 567283417 /nfs/dbraw/zinc/28/34/17/567283417.db2.gz HOHGSUGZQDQYBG-UHFFFAOYSA-N -1 3 376.931 3.036 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(COC)c1)c1ccc(C)o1 ZINC000685596724 567285535 /nfs/dbraw/zinc/28/55/35/567285535.db2.gz OQENFNKUXIPKPW-INIZCTEOSA-N -1 3 387.885 3.444 20 0 GGADHM CCCC[C@@H](SCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1)C(=O)OC ZINC000475894292 567286289 /nfs/dbraw/zinc/28/62/89/567286289.db2.gz DSSPBXXBOKHQSN-LLVKDONJSA-N -1 3 382.507 3.461 20 0 GGADHM COCc1nc(C(=O)[N-]c2c(F)cc(C)cc2I)co1 ZINC000548192341 567287196 /nfs/dbraw/zinc/28/71/96/567287196.db2.gz HOEDCVMTHAPFHJ-UHFFFAOYSA-N -1 3 390.152 3.125 20 0 GGADHM CC1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)c2cccc(Cl)c21 ZINC000499964739 567287808 /nfs/dbraw/zinc/28/78/08/567287808.db2.gz RIKGRGYISVJKLZ-UHFFFAOYSA-N -1 3 398.937 3.394 20 0 GGADHM CCc1nc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)co1 ZINC000475937863 567288495 /nfs/dbraw/zinc/28/84/95/567288495.db2.gz IXFFNNQNGQNFRA-UHFFFAOYSA-N -1 3 379.189 3.203 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000567921918 567290538 /nfs/dbraw/zinc/29/05/38/567290538.db2.gz GGSHNMKSQHVUNP-CYBMUJFWSA-N -1 3 391.251 3.028 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000500002710 567290932 /nfs/dbraw/zinc/29/09/32/567290932.db2.gz BLYSYYOIMGFJHK-BDAKNGLRSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000500002710 567290938 /nfs/dbraw/zinc/29/09/38/567290938.db2.gz BLYSYYOIMGFJHK-BDAKNGLRSA-N -1 3 375.148 3.328 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1ccc(C)c(Br)c1 ZINC000526084621 567291601 /nfs/dbraw/zinc/29/16/01/567291601.db2.gz IFLQGMMCBQWWOJ-UHFFFAOYSA-N -1 3 380.242 3.147 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1ccc(C)c(Br)c1 ZINC000526084621 567291604 /nfs/dbraw/zinc/29/16/04/567291604.db2.gz IFLQGMMCBQWWOJ-UHFFFAOYSA-N -1 3 380.242 3.147 20 0 GGADHM CCC(CC)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1cccs1 ZINC000434100423 567294447 /nfs/dbraw/zinc/29/44/47/567294447.db2.gz UAJJPCGESXNSFH-MRXNPFEDSA-N -1 3 384.523 3.465 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nnc2ccccn21 ZINC000434103609 567294684 /nfs/dbraw/zinc/29/46/84/567294684.db2.gz ZRSPJJAUFPAPOR-ZDUSSCGKSA-N -1 3 382.848 3.342 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2F)cc1Cl ZINC000591813349 567298332 /nfs/dbraw/zinc/29/83/32/567298332.db2.gz DVGXEXVXAVITKK-UHFFFAOYSA-N -1 3 394.251 3.498 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)Cc1csc(C)n1)C(=O)OC(C)(C)C ZINC000591816302 567298479 /nfs/dbraw/zinc/29/84/79/567298479.db2.gz GVZDXTYRUKZUET-UHFFFAOYSA-N -1 3 376.544 3.019 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(-n2cccc2)c1 ZINC000526935143 567298542 /nfs/dbraw/zinc/29/85/42/567298542.db2.gz NOFWMCPFHZIZFS-UHFFFAOYSA-N -1 3 395.893 3.109 20 0 GGADHM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000617323909 567299363 /nfs/dbraw/zinc/29/93/63/567299363.db2.gz FFZDNLVBUHMTDD-UHFFFAOYSA-N -1 3 380.897 3.419 20 0 GGADHM CCCSc1nc(=NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)s[n-]1 ZINC000476153940 567299626 /nfs/dbraw/zinc/29/96/26/567299626.db2.gz NIDYDAFPPRRPAC-OCCSQVGLSA-N -1 3 379.555 3.275 20 0 GGADHM CCCSc1nc(=NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)s[n-]1 ZINC000476125982 567299876 /nfs/dbraw/zinc/29/98/76/567299876.db2.gz ALALSQHOQPYWCO-VXGBXAGGSA-N -1 3 383.543 3.306 20 0 GGADHM CC[C@H](C)CS(=O)(=O)[N-][C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000476142729 567300289 /nfs/dbraw/zinc/30/02/89/567300289.db2.gz JNSKCAOXPDQXNW-BONVTDFDSA-N -1 3 382.309 3.347 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(Br)c(C)s2)s1 ZINC000591823514 567300726 /nfs/dbraw/zinc/30/07/26/567300726.db2.gz VSGNLNHHRLPDHV-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000500139744 567302887 /nfs/dbraw/zinc/30/28/87/567302887.db2.gz AJGDOJXDOIIQLK-CYBMUJFWSA-N -1 3 382.423 3.387 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO[C@H]1C1CC1 ZINC000476187738 567303676 /nfs/dbraw/zinc/30/36/76/567303676.db2.gz GWOGKGJDUKZZBS-LSDHHAIUSA-N -1 3 392.290 3.072 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(Br)cc1F ZINC000476212193 567305148 /nfs/dbraw/zinc/30/51/48/567305148.db2.gz YZTFBTFOFGXXMG-GFCCVEGCSA-N -1 3 390.205 3.139 20 0 GGADHM CCn1cc(-c2nn(C)cc2C(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC000548299174 567305497 /nfs/dbraw/zinc/30/54/97/567305497.db2.gz SSXKTOLQUDPAFT-UHFFFAOYSA-N -1 3 390.241 3.024 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3cccc(Cl)c3n2C)c(F)cc1F ZINC000476218411 567305949 /nfs/dbraw/zinc/30/59/49/567305949.db2.gz NKVPLTYDYZJGQO-UHFFFAOYSA-N -1 3 385.823 3.292 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCCC1 ZINC000476218166 567306461 /nfs/dbraw/zinc/30/64/61/567306461.db2.gz KGBVBIYTEMOBNH-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000476219129 567306685 /nfs/dbraw/zinc/30/66/85/567306685.db2.gz LLYJWKUFEMIXBB-SNVBAGLBSA-N -1 3 389.823 3.375 20 0 GGADHM O=C(NCCc1c[nH]c2cccc(Br)c12)c1ccc2n[n-]nc2c1 ZINC000685890582 567306998 /nfs/dbraw/zinc/30/69/98/567306998.db2.gz SOYSBTJGLBRYMV-UHFFFAOYSA-N -1 3 384.237 3.174 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCC[C@H](F)C1 ZINC000568138616 567307196 /nfs/dbraw/zinc/30/71/96/567307196.db2.gz RMWQZIUWIFBBQJ-ZDUSSCGKSA-N -1 3 388.530 3.323 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c1 ZINC000685898840 567307679 /nfs/dbraw/zinc/30/76/79/567307679.db2.gz ICMZZMZUGRHYGR-UHFFFAOYSA-N -1 3 386.832 3.385 20 0 GGADHM CCCCc1nc2cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc2[nH]1 ZINC000685901722 567308568 /nfs/dbraw/zinc/30/85/68/567308568.db2.gz JESWDLKBXJSATE-UHFFFAOYSA-N -1 3 379.404 3.226 20 0 GGADHM CSc1nnc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)[n-]1 ZINC000592037969 567309751 /nfs/dbraw/zinc/30/97/51/567309751.db2.gz YDMKBJHLUIEZBU-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)n1 ZINC000592037969 567309759 /nfs/dbraw/zinc/30/97/59/567309759.db2.gz YDMKBJHLUIEZBU-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM CSc1nc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)n[n-]1 ZINC000592037969 567309766 /nfs/dbraw/zinc/30/97/66/567309766.db2.gz YDMKBJHLUIEZBU-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1F ZINC000548367668 567310163 /nfs/dbraw/zinc/31/01/63/567310163.db2.gz JWMHIJZCJRKBTG-UHFFFAOYSA-N -1 3 375.343 3.258 20 0 GGADHM O=C(NCCO)c1ccc(NCc2cc([O-])ccc2Br)cc1Cl ZINC000685916346 567310243 /nfs/dbraw/zinc/31/02/43/567310243.db2.gz RLCFSAKUDVPTCB-UHFFFAOYSA-N -1 3 399.672 3.142 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C ZINC000592038526 567310219 /nfs/dbraw/zinc/31/02/19/567310219.db2.gz BQJQZZUILGTUJR-UHFFFAOYSA-N -1 3 375.462 3.015 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2cccc(Br)c2C)c(=O)[n-]1 ZINC000568172617 567311112 /nfs/dbraw/zinc/31/11/12/567311112.db2.gz XJHQUGOPBOFDQX-UHFFFAOYSA-N -1 3 378.270 3.119 20 0 GGADHM CSCc1ccc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1 ZINC000592052270 567311473 /nfs/dbraw/zinc/31/14/73/567311473.db2.gz BGRRQCHVRMDNCB-UHFFFAOYSA-N -1 3 376.425 3.442 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCCc2ccccc2)s1 ZINC000617466888 567311993 /nfs/dbraw/zinc/31/19/93/567311993.db2.gz RTPRPQRDHNAREV-CQSZACIVSA-N -1 3 380.535 3.246 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000476309454 567312989 /nfs/dbraw/zinc/31/29/89/567312989.db2.gz LMSAWMGOKIEAFW-UHFFFAOYSA-N -1 3 389.823 3.376 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1(c2ccccc2C)CC1 ZINC000592067422 567313205 /nfs/dbraw/zinc/31/32/05/567313205.db2.gz PBLLMYAOGHKNEJ-UHFFFAOYSA-N -1 3 379.865 3.403 20 0 GGADHM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000568232413 567313644 /nfs/dbraw/zinc/31/36/44/567313644.db2.gz OMTGCDSHMHLAHG-MRXNPFEDSA-N -1 3 391.265 3.465 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000592100731 567314147 /nfs/dbraw/zinc/31/41/47/567314147.db2.gz MSPOSYCJZNBEPI-ZDUSSCGKSA-N -1 3 381.416 3.245 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000476312568 567314497 /nfs/dbraw/zinc/31/44/97/567314497.db2.gz RTCYBAJDSWMKJY-LLVKDONJSA-N -1 3 389.290 3.226 20 0 GGADHM Cc1cc(C(=O)N(CCO)Cc2cc(Br)ccc2F)ccc1[O-] ZINC000500365664 567316000 /nfs/dbraw/zinc/31/60/00/567316000.db2.gz WANAVNHUIOCHKN-UHFFFAOYSA-N -1 3 382.229 3.237 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C ZINC000476331553 567316277 /nfs/dbraw/zinc/31/62/77/567316277.db2.gz DNBHCACSDXUNQB-MRXNPFEDSA-N -1 3 393.933 3.095 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000434633364 567316987 /nfs/dbraw/zinc/31/69/87/567316987.db2.gz HBHBDOLFRSMOHL-UHFFFAOYSA-N -1 3 382.869 3.126 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000476350882 567317250 /nfs/dbraw/zinc/31/72/50/567317250.db2.gz QOFOLZGTQWHPIP-ZDUSSCGKSA-N -1 3 393.933 3.237 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C(F)(F)F ZINC000548474595 567318104 /nfs/dbraw/zinc/31/81/04/567318104.db2.gz NLBFTUPNAWGMJG-SNVBAGLBSA-N -1 3 380.310 3.032 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1)C(F)(F)F ZINC000548473866 567318214 /nfs/dbraw/zinc/31/82/14/567318214.db2.gz OILCBDZJSRGVIS-AWEZNQCLSA-N -1 3 379.379 3.329 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c(Br)c1)C(F)(F)F ZINC000548473665 567318437 /nfs/dbraw/zinc/31/84/37/567318437.db2.gz BPMFECAUCYUOHK-LLVKDONJSA-N -1 3 390.221 3.467 20 0 GGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(F)cc(N2CCOCC2)c1 ZINC000568300969 567318742 /nfs/dbraw/zinc/31/87/42/567318742.db2.gz QTNLVOGNAIVDSI-UHFFFAOYSA-N -1 3 384.860 3.258 20 0 GGADHM Cn1cc(CCC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000500419174 567318764 /nfs/dbraw/zinc/31/87/64/567318764.db2.gz FWDOYTSGNLXBQU-UHFFFAOYSA-N -1 3 396.925 3.108 20 0 GGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@@H]12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500420574 567319123 /nfs/dbraw/zinc/31/91/23/567319123.db2.gz FKTRKMGQEFDGPC-GJZGRUSLSA-N -1 3 397.953 3.369 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C[C@H](C)S1 ZINC000527176964 567319389 /nfs/dbraw/zinc/31/93/89/567319389.db2.gz XRAUIVGCNPJLJK-AOOOYVTPSA-N -1 3 396.456 3.043 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC(C)CC1 ZINC000500402171 567319471 /nfs/dbraw/zinc/31/94/71/567319471.db2.gz YORGJBYEAYVHCU-HNNXBMFYSA-N -1 3 379.551 3.209 20 0 GGADHM COc1ccc(NC(=O)c2cccc(F)c2I)c([O-])c1 ZINC000527202849 567319776 /nfs/dbraw/zinc/31/97/76/567319776.db2.gz UAJPFZNBGNRFPB-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000476399839 567320524 /nfs/dbraw/zinc/32/05/24/567320524.db2.gz TZYXZMNKDCHETQ-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000500429679 567320871 /nfs/dbraw/zinc/32/08/71/567320871.db2.gz OCBZXDUAEVBTID-HNNXBMFYSA-N -1 3 377.535 3.105 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(Br)cc1F ZINC000476416697 567321142 /nfs/dbraw/zinc/32/11/42/567321142.db2.gz HNNMZGTZXKCFGC-UHOFOFEASA-N -1 3 382.254 3.205 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(C)cc32)s1 ZINC000568345608 567321935 /nfs/dbraw/zinc/32/19/35/567321935.db2.gz AWPSMKGDYKDEEV-QGZVFWFLSA-N -1 3 378.519 3.049 20 0 GGADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000476428702 567322686 /nfs/dbraw/zinc/32/26/86/567322686.db2.gz CGYRWMVHZRKRRS-UHFFFAOYSA-N -1 3 375.837 3.096 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCOc2cc(F)cc(Br)c2)n1 ZINC000660751613 567323681 /nfs/dbraw/zinc/32/36/81/567323681.db2.gz OJKBIWDKLLRKNZ-UHFFFAOYSA-N -1 3 384.249 3.296 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000660746904 567323862 /nfs/dbraw/zinc/32/38/62/567323862.db2.gz NLPFTWHFSPWXDK-NSHDSACASA-N -1 3 386.279 3.062 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1OC ZINC000500466627 567324340 /nfs/dbraw/zinc/32/43/40/567324340.db2.gz CUXZSPNDFGGRGJ-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c1 ZINC000500483467 567325358 /nfs/dbraw/zinc/32/53/58/567325358.db2.gz MYJFEXAJXKCPJG-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM Cc1cnccc1CCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000568402761 567326488 /nfs/dbraw/zinc/32/64/88/567326488.db2.gz VDPGASDNSWQOCD-KRWDZBQOSA-N -1 3 375.266 3.207 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCCCN3C3CC3)s2)cs1 ZINC000434774187 567327168 /nfs/dbraw/zinc/32/71/68/567327168.db2.gz KBRIDFCBJWZKMH-AWEZNQCLSA-N -1 3 397.591 3.475 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1cc(Cl)ccc1Cl ZINC000434772549 567327548 /nfs/dbraw/zinc/32/75/48/567327548.db2.gz 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O=S(=O)([N-]CCc1cccc(F)c1F)c1cc(F)ccc1Br ZINC000435220961 567349463 /nfs/dbraw/zinc/34/94/63/567349463.db2.gz UTGUJQJIUPJILB-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435217619 567349620 /nfs/dbraw/zinc/34/96/20/567349620.db2.gz SFZHLSSMZUELCV-ABAIWWIYSA-N -1 3 394.306 3.318 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(Cl)cc1Br ZINC000568694370 567349486 /nfs/dbraw/zinc/34/94/86/567349486.db2.gz FDAHGTGLZLSQDB-LLVKDONJSA-N -1 3 394.674 3.098 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1ccc(Cl)cc1Br ZINC000568694371 567349640 /nfs/dbraw/zinc/34/96/40/567349640.db2.gz FDAHGTGLZLSQDB-NSHDSACASA-N -1 3 394.674 3.098 20 0 GGADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1(C)C ZINC000435226604 567351132 /nfs/dbraw/zinc/35/11/32/567351132.db2.gz PKNWXMGHOSTJSB-GXTWGEPZSA-N -1 3 380.279 3.070 20 0 GGADHM COC(=O)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(OC)c(Cl)c1 ZINC000500918071 567352743 /nfs/dbraw/zinc/35/27/43/567352743.db2.gz KGUDKTASUQXWMX-OAHLLOKOSA-N -1 3 384.215 3.352 20 0 GGADHM CC(C)[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C(=O)OC(C)(C)C ZINC000592645631 567352882 /nfs/dbraw/zinc/35/28/82/567352882.db2.gz CXTRYNJMXXATHZ-JTQLQIEISA-N -1 3 383.798 3.073 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1 ZINC000568743094 567353459 /nfs/dbraw/zinc/35/34/59/567353459.db2.gz CPJMRHALENWTGI-HSZRJFAPSA-N -1 3 385.894 3.222 20 0 GGADHM C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)Cc1cncc([O-])c1 ZINC000618052066 567353991 /nfs/dbraw/zinc/35/39/91/567353991.db2.gz ABXCIEWDTZIOPN-XIKOKIGWSA-N -1 3 391.265 3.081 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000476916548 567357381 /nfs/dbraw/zinc/35/73/81/567357381.db2.gz XDJUBAHEZLSPRX-UHFFFAOYSA-N -1 3 376.821 3.476 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000501012317 567358440 /nfs/dbraw/zinc/35/84/40/567358440.db2.gz WRISQLILINEIDQ-QWHCGFSZSA-N -1 3 388.946 3.034 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(SC)cc1 ZINC000476955613 567360191 /nfs/dbraw/zinc/36/01/91/567360191.db2.gz UTNBHXREYAETAH-HNNXBMFYSA-N -1 3 383.466 3.130 20 0 GGADHM CC[C@@](C)(NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nccs1 ZINC000640291386 567361071 /nfs/dbraw/zinc/36/10/71/567361071.db2.gz AUBWVLCUSXXOCA-GFCCVEGCSA-N -1 3 381.811 3.424 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2ccccn21 ZINC000435420175 567361669 /nfs/dbraw/zinc/36/16/69/567361669.db2.gz AXCUWHFRTOQAOO-QMMMGPOBSA-N -1 3 389.239 3.215 20 0 GGADHM Cc1ccc(OCCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640290441 567361822 /nfs/dbraw/zinc/36/18/22/567361822.db2.gz OGPONVSKGXEQPH-UHFFFAOYSA-N -1 3 376.766 3.030 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)C[C@H](C)n2cc(Br)cn2)c([O-])c1 ZINC000592780560 567362325 /nfs/dbraw/zinc/36/23/25/567362325.db2.gz MUZGWIFLKBYVTE-JTQLQIEISA-N -1 3 396.241 3.118 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCc1cccc(F)c1F ZINC000640292031 567362419 /nfs/dbraw/zinc/36/24/19/567362419.db2.gz IAMFXHSUQQUAPR-UHFFFAOYSA-N -1 3 382.720 3.163 20 0 GGADHM Cc1sc(Br)c(C(=O)N=c2[n-]n(C)cc2Br)c1C ZINC000568867808 567362509 /nfs/dbraw/zinc/36/25/09/567362509.db2.gz UEGGSADQIDWKQU-UHFFFAOYSA-N -1 3 393.104 3.298 20 0 GGADHM Cc1ccccc1OCCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293178 567362543 /nfs/dbraw/zinc/36/25/43/567362543.db2.gz UDRHBLYQNNCINO-UHFFFAOYSA-N -1 3 376.766 3.030 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1CSc2ccccc21 ZINC000640292576 567362688 /nfs/dbraw/zinc/36/26/88/567362688.db2.gz MBZAFHFNQCSYBO-JTQLQIEISA-N -1 3 376.791 3.489 20 0 GGADHM Cc1csc(C(C)(C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000640292932 567362886 /nfs/dbraw/zinc/36/28/86/567362886.db2.gz PPBUKXRLXIXSFQ-UHFFFAOYSA-N -1 3 381.811 3.342 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCOc1cccc(Cl)c1 ZINC000640291500 567362934 /nfs/dbraw/zinc/36/29/34/567362934.db2.gz BPJHQTFHXUJVAE-UHFFFAOYSA-N -1 3 397.184 3.375 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1(c2ccc(F)cc2)CC1 ZINC000640291814 567362964 /nfs/dbraw/zinc/36/29/64/567362964.db2.gz DQIWJFRSTBJJDR-UHFFFAOYSA-N -1 3 376.741 3.471 20 0 GGADHM CCCCN(CC)c1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000568884894 567362982 /nfs/dbraw/zinc/36/29/82/567362982.db2.gz ICZMPEYBTIYIMW-UHFFFAOYSA-N -1 3 379.302 3.483 20 0 GGADHM Cc1nnsc1-c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000568875792 567363009 /nfs/dbraw/zinc/36/30/09/567363009.db2.gz PKOWNOBUGMWOFS-UHFFFAOYSA-N -1 3 390.226 3.111 20 0 GGADHM Cc1nnsc1-c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000568875792 567363016 /nfs/dbraw/zinc/36/30/16/567363016.db2.gz PKOWNOBUGMWOFS-UHFFFAOYSA-N -1 3 390.226 3.111 20 0 GGADHM Cc1nnsc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000568875792 567363020 /nfs/dbraw/zinc/36/30/20/567363020.db2.gz PKOWNOBUGMWOFS-UHFFFAOYSA-N -1 3 390.226 3.111 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(Cc2cccs2)CC1 ZINC000527696463 567363218 /nfs/dbraw/zinc/36/32/18/567363218.db2.gz JOBDDRWEZIDMDQ-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM COc1cccc([C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640292982 567363239 /nfs/dbraw/zinc/36/32/39/567363239.db2.gz RJJWQISYHNXBDM-VIFPVBQESA-N -1 3 376.766 3.412 20 0 GGADHM COc1cc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)ccc1C ZINC000640293342 567363349 /nfs/dbraw/zinc/36/33/49/567363349.db2.gz XBNYKRKQJSUFGR-UHFFFAOYSA-N -1 3 376.766 3.159 20 0 GGADHM CN(C)[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccsc1 ZINC000640293511 567363483 /nfs/dbraw/zinc/36/34/83/567363483.db2.gz YQTRQVBZCHKFTI-LLVKDONJSA-N -1 3 395.838 3.007 20 0 GGADHM CN(C)[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccsc1 ZINC000640293514 567363508 /nfs/dbraw/zinc/36/35/08/567363508.db2.gz YQTRQVBZCHKFTI-NSHDSACASA-N -1 3 395.838 3.007 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@]2(CCSC2)C1 ZINC000640296410 567363887 /nfs/dbraw/zinc/36/38/87/567363887.db2.gz CBRVDYZZNLKUNN-ZDUSSCGKSA-N -1 3 382.839 3.272 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640295184 567364033 /nfs/dbraw/zinc/36/40/33/567364033.db2.gz QLPBDKJCTPYXNO-WDEREUQCSA-N -1 3 382.814 3.188 20 0 GGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000435431564 567364027 /nfs/dbraw/zinc/36/40/27/567364027.db2.gz DVBKECKOAGYHGT-NSHDSACASA-N -1 3 395.750 3.254 20 0 GGADHM CC(C)C[C@H]1C[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640295900 567364147 /nfs/dbraw/zinc/36/41/47/567364147.db2.gz GUWCMWCNWJZBBK-QWRGUYRKSA-N -1 3 382.814 3.236 20 0 GGADHM CN(CC1(O)CCCCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296480 567364261 /nfs/dbraw/zinc/36/42/61/567364261.db2.gz NKHDUMXKUSCXPK-UHFFFAOYSA-N -1 3 382.814 3.070 20 0 GGADHM COc1cc(C)cc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640295345 567364277 /nfs/dbraw/zinc/36/42/77/567364277.db2.gz VOLQMNOPSZEINH-UHFFFAOYSA-N -1 3 376.766 3.159 20 0 GGADHM Cc1ccc(F)c(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640296831 567364434 /nfs/dbraw/zinc/36/44/34/567364434.db2.gz FIEOIUHKPNDGIR-UHFFFAOYSA-N -1 3 378.757 3.332 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1COc2ccc(Cl)cc21 ZINC000640294864 567364487 /nfs/dbraw/zinc/36/44/87/567364487.db2.gz LXMVDKKIJILJPO-JTQLQIEISA-N -1 3 395.168 3.429 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1F ZINC000568911538 567364666 /nfs/dbraw/zinc/36/46/66/567364666.db2.gz NKKKBRXVIAVHHP-LBPRGKRZSA-N -1 3 382.482 3.162 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCOC2(CCCCC2)C1 ZINC000640294840 567364773 /nfs/dbraw/zinc/36/47/73/567364773.db2.gz LAGXJZLLPYBJLJ-UHFFFAOYSA-N -1 3 380.798 3.088 20 0 GGADHM COCCC1(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCCC1 ZINC000640295583 567364956 /nfs/dbraw/zinc/36/49/56/567364956.db2.gz XYVQQJYVEFAKGO-UHFFFAOYSA-N -1 3 382.814 3.239 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccsc1 ZINC000477030746 567365199 /nfs/dbraw/zinc/36/51/99/567365199.db2.gz DDSXGPMGEVEXHQ-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM O=C1CCCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000592821016 567365338 /nfs/dbraw/zinc/36/53/38/567365338.db2.gz QTBRGPBRZRMPOR-UHFFFAOYSA-N -1 3 398.834 3.040 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)s1 ZINC000592820115 567365474 /nfs/dbraw/zinc/36/54/74/567365474.db2.gz IVPIHLKNAIJPQI-ZUZCIYMTSA-N -1 3 382.482 3.050 20 0 GGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000640307619 567365688 /nfs/dbraw/zinc/36/56/88/567365688.db2.gz FKJXLVALCBHCLM-LLVKDONJSA-N -1 3 381.274 3.274 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NCc2cccc(COC(C)(C)C)c2)[n-]1 ZINC000640307893 567365791 /nfs/dbraw/zinc/36/57/91/567365791.db2.gz AMSNGYSWTUQOGH-UHFFFAOYSA-N -1 3 395.301 3.241 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)cc1F ZINC000435437196 567365756 /nfs/dbraw/zinc/36/57/56/567365756.db2.gz IWCYVQIYCYTHKS-GOEBONIOSA-N -1 3 383.828 3.100 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC000435434476 567365839 /nfs/dbraw/zinc/36/58/39/567365839.db2.gz YKJKGZUXVDPPPT-LSDHHAIUSA-N -1 3 398.326 3.136 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@@H]1CCC2(CCCC2)O1 ZINC000640304023 567365917 /nfs/dbraw/zinc/36/59/17/567365917.db2.gz YHLAYAZBVQSJAU-JTQLQIEISA-N -1 3 380.798 3.134 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCCCC[C@@H]2c2ccncc2)[n-]1 ZINC000640307987 567366024 /nfs/dbraw/zinc/36/60/24/567366024.db2.gz KFJZBBWOQPOZJA-CQSZACIVSA-N -1 3 378.274 3.149 20 0 GGADHM C[C@H]1CC(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C[C@H](C)O1 ZINC000640300100 567366065 /nfs/dbraw/zinc/36/60/65/567366065.db2.gz DSWPIFZCJJJNEV-UWVGGRQHSA-N -1 3 382.814 3.236 20 0 GGADHM C[C@@H](NC(=O)N=c1[n-]n(C)cc1Br)c1ccc(OC(F)F)cc1 ZINC000640307170 567366212 /nfs/dbraw/zinc/36/62/12/567366212.db2.gz AONBQOPAHYIXHR-MRVPVSSYSA-N -1 3 389.200 3.089 20 0 GGADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640308286 567366330 /nfs/dbraw/zinc/36/63/30/567366330.db2.gz NSJGFEFAPMEHED-UHFFFAOYSA-N -1 3 391.191 3.287 20 0 GGADHM COCCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1CC[C@@H](C)C1 ZINC000640301332 567366410 /nfs/dbraw/zinc/36/64/10/567366410.db2.gz GXHJTCCGVXOBLE-MNOVXSKESA-N -1 3 382.814 3.190 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1cc(F)ccc1Cl ZINC000592823725 567366437 /nfs/dbraw/zinc/36/64/37/567366437.db2.gz BJHAXWWEWFOXJQ-LBPRGKRZSA-N -1 3 390.814 3.315 20 0 GGADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303102 567366498 /nfs/dbraw/zinc/36/64/98/567366498.db2.gz WVKQUVBFCCVMTI-NKWVEPMBSA-N -1 3 378.704 3.325 20 0 GGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000435434601 567366534 /nfs/dbraw/zinc/36/65/34/567366534.db2.gz YQXCPSOUKZJTOO-GFCCVEGCSA-N -1 3 395.750 3.254 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435433962 567366555 /nfs/dbraw/zinc/36/65/55/567366555.db2.gz VMYASMUSAPLFAW-UHFFFAOYSA-N -1 3 379.240 3.405 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000435434245 567366669 /nfs/dbraw/zinc/36/66/69/567366669.db2.gz WYAJFTQDXPYOSU-QWHCGFSZSA-N -1 3 383.853 3.116 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCc1ccc(F)c(F)c1 ZINC000640303119 567366748 /nfs/dbraw/zinc/36/67/48/567366748.db2.gz XFKNRSOTCNWKKF-UHFFFAOYSA-N -1 3 382.720 3.163 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC(OC2CCC2)CC1 ZINC000640302010 567366776 /nfs/dbraw/zinc/36/67/76/567366776.db2.gz HRPGJVQAGZLTKI-UHFFFAOYSA-N -1 3 380.798 3.086 20 0 GGADHM COc1ccc([C@@H](NC(=O)N=c2[n-]n(C)cc2Br)C(C)C)cc1 ZINC000640308090 567366839 /nfs/dbraw/zinc/36/68/39/567366839.db2.gz LHZIVAHSYCQXAV-AWEZNQCLSA-N -1 3 381.274 3.132 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(OCC3CCCCC3)CC2)[n-]1 ZINC000640308445 567366880 /nfs/dbraw/zinc/36/68/80/567366880.db2.gz AQYPIPDHYYDKNH-UHFFFAOYSA-N -1 3 399.333 3.198 20 0 GGADHM CN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CC(OC(C)(C)C)C1 ZINC000640302241 567366909 /nfs/dbraw/zinc/36/69/09/567366909.db2.gz KIDXOBSCFDFNML-UHFFFAOYSA-N -1 3 382.814 3.331 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1cccc(Cl)c1F ZINC000592824890 567366988 /nfs/dbraw/zinc/36/69/88/567366988.db2.gz SAIFVIKDLAGUAA-NSHDSACASA-N -1 3 390.814 3.315 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@H]2CCc2ccccc2)[n-]1 ZINC000640308080 567367005 /nfs/dbraw/zinc/36/70/05/567367005.db2.gz DBSDQIBZQYGKRM-CQSZACIVSA-N -1 3 377.286 3.234 20 0 GGADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000435437710 567367411 /nfs/dbraw/zinc/36/74/11/567367411.db2.gz LVXOEVFABPFTAV-UHFFFAOYSA-N -1 3 378.256 3.072 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)[n-]1 ZINC000640309145 567367718 /nfs/dbraw/zinc/36/77/18/567367718.db2.gz GSVGASCGQGWVCU-RKDXNWHRSA-N -1 3 383.212 3.095 20 0 GGADHM COc1cccc(CN(CC(C)C)C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640309843 567367840 /nfs/dbraw/zinc/36/78/40/567367840.db2.gz QNUOMEIANARHAC-UHFFFAOYSA-N -1 3 395.301 3.303 20 0 GGADHM COc1ccc(C2CCN(C(=O)N=c3[n-]n(C)cc3Br)CC2)cc1 ZINC000640309202 567367889 /nfs/dbraw/zinc/36/78/89/567367889.db2.gz HDZWQYURTDFDLO-UHFFFAOYSA-N -1 3 393.285 3.025 20 0 GGADHM CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000501127081 567368049 /nfs/dbraw/zinc/36/80/49/567368049.db2.gz ZNBDFXSLVQKNNU-UHFFFAOYSA-N -1 3 394.331 3.333 20 0 GGADHM COc1cccc(C2CCN(C(=O)N=c3[n-]n(C)cc3Br)CC2)c1 ZINC000640309492 567368160 /nfs/dbraw/zinc/36/81/60/567368160.db2.gz NJZKZNMZYBKQOV-UHFFFAOYSA-N -1 3 393.285 3.025 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)[n-]1 ZINC000640309462 567368627 /nfs/dbraw/zinc/36/86/27/567368627.db2.gz MFMIILNYQSTTTI-UHFFFAOYSA-N -1 3 395.276 3.230 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCCC[C@@H]2Cc2ccccc2)[n-]1 ZINC000640310176 567368766 /nfs/dbraw/zinc/36/87/66/567368766.db2.gz VLWWXGUXSMUGQF-CQSZACIVSA-N -1 3 377.286 3.234 20 0 GGADHM CCCN(Cc1ccc(OC)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640309887 567368824 /nfs/dbraw/zinc/36/88/24/567368824.db2.gz RHLVVWYEBNZSLK-UHFFFAOYSA-N -1 3 381.274 3.057 20 0 GGADHM CC(C)c1cccc2c1CCN(C(=O)N=c1[n-]n(C)cc1Br)C2 ZINC000640313942 567369399 /nfs/dbraw/zinc/36/93/99/567369399.db2.gz WOYALAIJLKAKIV-UHFFFAOYSA-N -1 3 377.286 3.318 20 0 GGADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)N=c3[n-]n(C)cc3Br)C2)cc1 ZINC000640313969 567369741 /nfs/dbraw/zinc/36/97/41/567369741.db2.gz XSWMRLOYIPANAX-JSGCOSHPSA-N -1 3 377.286 3.323 20 0 GGADHM CC(C)c1ccc2c(c1)CN(C(=O)N=c1[n-]n(C)cc1Br)CC2 ZINC000640316150 567370061 /nfs/dbraw/zinc/37/00/61/567370061.db2.gz CWWNWYHYWMDVAY-UHFFFAOYSA-N -1 3 377.286 3.318 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)[n-]1 ZINC000640316396 567370135 /nfs/dbraw/zinc/37/01/35/567370135.db2.gz GMOWOLDUUVSFHK-QGZVFWFLSA-N -1 3 395.276 3.373 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000549050946 567370537 /nfs/dbraw/zinc/37/05/37/567370537.db2.gz DTIHSXZYIDBACE-QWHCGFSZSA-N -1 3 390.908 3.090 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000501189452 567370759 /nfs/dbraw/zinc/37/07/59/567370759.db2.gz WKCGYGSVDJAYEP-UHFFFAOYSA-N -1 3 397.285 3.371 20 0 GGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640324082 567371195 /nfs/dbraw/zinc/37/11/95/567371195.db2.gz ASOWFDKKVFDXJV-AWEZNQCLSA-N -1 3 377.286 3.152 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](CO)Cc1ccc(F)cc1 ZINC000501188864 567371476 /nfs/dbraw/zinc/37/14/76/567371476.db2.gz VYBIBCNKSCNBOB-CYBMUJFWSA-N -1 3 392.279 3.156 20 0 GGADHM Cc1ncccc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000435467380 567371608 /nfs/dbraw/zinc/37/16/08/567371608.db2.gz GCLWFJIBQISOFW-UHFFFAOYSA-N -1 3 375.201 3.356 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640326823 567371660 /nfs/dbraw/zinc/37/16/60/567371660.db2.gz MAMUVXFECHVUOQ-AWEZNQCLSA-N -1 3 393.285 3.372 20 0 GGADHM CCCN(CCc1cccc(F)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640326245 567371741 /nfs/dbraw/zinc/37/17/41/567371741.db2.gz JHANSOPKNRIITA-UHFFFAOYSA-N -1 3 383.265 3.230 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000477127603 567372204 /nfs/dbraw/zinc/37/22/04/567372204.db2.gz PDUXPSAVVLMCOY-OAHLLOKOSA-N -1 3 381.906 3.437 20 0 GGADHM CN(C)CCNC(=O)c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000527767806 567373299 /nfs/dbraw/zinc/37/32/99/567373299.db2.gz WMVFKLXTFCJIQV-UHFFFAOYSA-N -1 3 392.297 3.058 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(Br)ccc1F ZINC000477155615 567376278 /nfs/dbraw/zinc/37/62/78/567376278.db2.gz ZDUMCXWRKSPGMX-APHBMKBZSA-N -1 3 382.254 3.205 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1cc(Br)ccc1F ZINC000477172971 567377777 /nfs/dbraw/zinc/37/77/77/567377777.db2.gz DFLZOCIZXLKTMZ-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435600507 567378392 /nfs/dbraw/zinc/37/83/92/567378392.db2.gz COCRKAALAAPVAM-MJHDQNEOSA-N -1 3 387.429 3.037 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000477181698 567378793 /nfs/dbraw/zinc/37/87/93/567378793.db2.gz ZOQCSKTUYVVWBV-CQSZACIVSA-N -1 3 383.491 3.118 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000435624672 567379479 /nfs/dbraw/zinc/37/94/79/567379479.db2.gz YIQKJALDVIDQEH-ZIAGYGMSSA-N -1 3 389.539 3.187 20 0 GGADHM Cc1sccc1NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000640473351 567379625 /nfs/dbraw/zinc/37/96/25/567379625.db2.gz LDTWJQRUFFPFKK-UHFFFAOYSA-N -1 3 385.536 3.093 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1ccc(SC)cc1 ZINC000435609294 567379737 /nfs/dbraw/zinc/37/97/37/567379737.db2.gz YOQJVFUDMUGGBY-UHFFFAOYSA-N -1 3 385.532 3.086 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435606579 567379883 /nfs/dbraw/zinc/37/98/83/567379883.db2.gz XJZISVOIEUWGKY-JOYOIKCWSA-N -1 3 389.857 3.162 20 0 GGADHM CSc1ccc(CC[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000435607017 567380105 /nfs/dbraw/zinc/38/01/05/567380105.db2.gz NCYLVYUTPJWECR-UHFFFAOYSA-N -1 3 387.324 3.087 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCC(F)(F)C2)c(F)cc1F ZINC000435609683 567380190 /nfs/dbraw/zinc/38/01/90/567380190.db2.gz AZFGQXZQYOCELT-SECBINFHSA-N -1 3 382.379 3.490 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000435606812 567380200 /nfs/dbraw/zinc/38/02/00/567380200.db2.gz XXWDCPFPAATPKJ-JOYOIKCWSA-N -1 3 389.857 3.162 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000618362745 567381276 /nfs/dbraw/zinc/38/12/76/567381276.db2.gz MCTSENKCAPVVBV-MRXNPFEDSA-N -1 3 394.240 3.436 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000435642642 567381417 /nfs/dbraw/zinc/38/14/17/567381417.db2.gz WXAIRVJIDLPGQE-UHFFFAOYSA-N -1 3 375.277 3.438 20 0 GGADHM COc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)c([O-])c1 ZINC000618362675 567381651 /nfs/dbraw/zinc/38/16/51/567381651.db2.gz KXGAQBPVCRLRHQ-MRXNPFEDSA-N -1 3 392.249 3.377 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000435647615 567381703 /nfs/dbraw/zinc/38/17/03/567381703.db2.gz RYUUMXDDAWMWRI-UHFFFAOYSA-N -1 3 391.237 3.163 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)s2)C[C@H](C)O1 ZINC000549254706 567382262 /nfs/dbraw/zinc/38/22/62/567382262.db2.gz GULMCLLTHQENAW-JGPRNRPPSA-N -1 3 382.345 3.383 20 0 GGADHM CSCC1(CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000593066246 567382276 /nfs/dbraw/zinc/38/22/76/567382276.db2.gz JSBSMIOUMPQGRD-UHFFFAOYSA-N -1 3 388.530 3.374 20 0 GGADHM Cc1nc(C)c(CC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)c(=O)[n-]1 ZINC000501355396 567383114 /nfs/dbraw/zinc/38/31/14/567383114.db2.gz NSVLRBYXQNMTEJ-JTQLQIEISA-N -1 3 390.281 3.077 20 0 GGADHM CC1CCN(C(=O)C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC1 ZINC000549303434 567384977 /nfs/dbraw/zinc/38/49/77/567384977.db2.gz ZVVVZOJFHWHTEO-UHFFFAOYSA-N -1 3 381.263 3.002 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1cc(C(F)(F)F)ccc1F ZINC000501414858 567387076 /nfs/dbraw/zinc/38/70/76/567387076.db2.gz VYKYVOLZSCNIDA-NXEZZACHSA-N -1 3 377.306 3.283 20 0 GGADHM CCOc1ccc(Cl)c(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000569193857 567387035 /nfs/dbraw/zinc/38/70/35/567387035.db2.gz LJTFFLVFYVKWOA-UHFFFAOYSA-N -1 3 388.898 3.107 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)CC)c1 ZINC000501413119 567387541 /nfs/dbraw/zinc/38/75/41/567387541.db2.gz BRSIZYYJPJOQMF-RYUDHWBXSA-N -1 3 375.462 3.114 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000435743330 567387588 /nfs/dbraw/zinc/38/75/88/567387588.db2.gz RBWITRFKZQTPGE-VIFPVBQESA-N -1 3 390.456 3.492 20 0 GGADHM C[C@H](C(=O)N=c1[n-]n(C)cc1Br)c1ccc(Br)s1 ZINC000569224339 567388566 /nfs/dbraw/zinc/38/85/66/567388566.db2.gz DYSORNAWTNUIHJ-LURJTMIESA-N -1 3 393.104 3.171 20 0 GGADHM C[C@@H](C(=O)N=c1[n-]n(C)cc1Br)c1ccc(Br)s1 ZINC000569224348 567388649 /nfs/dbraw/zinc/38/86/49/567388649.db2.gz DYSORNAWTNUIHJ-ZCFIWIBFSA-N -1 3 393.104 3.171 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cc2cc(Br)ccc2o1 ZINC000569239297 567389209 /nfs/dbraw/zinc/38/92/09/567389209.db2.gz WFCPYGSDHNPHJF-HNNXBMFYSA-N -1 3 381.270 3.224 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)s1 ZINC000618451665 567389707 /nfs/dbraw/zinc/38/97/07/567389707.db2.gz YXROTKXSQNWNFY-SMDDNHRTSA-N -1 3 396.559 3.461 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)s1 ZINC000618449752 567389865 /nfs/dbraw/zinc/38/98/65/567389865.db2.gz XAQJNZZCQQUVDV-MLGOLLRUSA-N -1 3 378.519 3.301 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCSc2ccccc2)s1 ZINC000618450359 567390208 /nfs/dbraw/zinc/39/02/08/567390208.db2.gz CTAHPWUXQYYUND-LBPRGKRZSA-N -1 3 384.548 3.016 20 0 GGADHM CCC(CC)C(=O)N1CCC(NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528061039 567390835 /nfs/dbraw/zinc/39/08/35/567390835.db2.gz WAURFFOTNQPMIM-UHFFFAOYSA-N -1 3 397.313 3.312 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@@H]3C)o2)s1 ZINC000618459071 567390856 /nfs/dbraw/zinc/39/08/56/567390856.db2.gz ZJMUMOVBKPXJJV-WDMOLILDSA-N -1 3 382.507 3.140 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000528058449 567390937 /nfs/dbraw/zinc/39/09/37/567390937.db2.gz NLHFESBWHOQJAR-GFCCVEGCSA-N -1 3 382.176 3.338 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@@H]3C)o2)s1 ZINC000618459069 567391134 /nfs/dbraw/zinc/39/11/34/567391134.db2.gz ZJMUMOVBKPXJJV-MISXGVKJSA-N -1 3 382.507 3.140 20 0 GGADHM CC(C)(CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1CC1 ZINC000549426401 567391437 /nfs/dbraw/zinc/39/14/37/567391437.db2.gz PBZGASIMQATUOG-UHFFFAOYSA-N -1 3 378.416 3.292 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)s1 ZINC000618459302 567391818 /nfs/dbraw/zinc/39/18/18/567391818.db2.gz JNYCKGCNHPQZSG-LLVKDONJSA-N -1 3 378.475 3.170 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1ccc(F)cc1Br ZINC000569285681 567392356 /nfs/dbraw/zinc/39/23/56/567392356.db2.gz WPSSUESAHYDBAI-SNVBAGLBSA-N -1 3 386.242 3.043 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1ccc(F)cc1Br ZINC000569285680 567392392 /nfs/dbraw/zinc/39/23/92/567392392.db2.gz WPSSUESAHYDBAI-JTQLQIEISA-N -1 3 386.242 3.043 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000549466607 567392442 /nfs/dbraw/zinc/39/24/42/567392442.db2.gz VQVSSBQEQQCTNR-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000549466056 567392753 /nfs/dbraw/zinc/39/27/53/567392753.db2.gz YRRMTQSNOUXJBT-UHFFFAOYSA-N -1 3 382.335 3.062 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c[nH]1 ZINC000477412104 567392940 /nfs/dbraw/zinc/39/29/40/567392940.db2.gz FAULPHFLUNSLDC-UHFFFAOYSA-N -1 3 393.646 3.018 20 0 GGADHM COCc1csc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000661799273 567394573 /nfs/dbraw/zinc/39/45/73/567394573.db2.gz ZPGSWOUQORUCAW-UHFFFAOYSA-N -1 3 385.283 3.362 20 0 GGADHM C[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C(F)(F)F ZINC000477453638 567394994 /nfs/dbraw/zinc/39/49/94/567394994.db2.gz FWYWWDPWVVOUNX-LURJTMIESA-N -1 3 388.770 3.057 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)s1 ZINC000549513102 567395443 /nfs/dbraw/zinc/39/54/43/567395443.db2.gz QKEZXHZXHWAOPA-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000435926381 567396172 /nfs/dbraw/zinc/39/61/72/567396172.db2.gz IYVQFKSADGTRMY-HNNXBMFYSA-N -1 3 380.828 3.339 20 0 GGADHM CCCCCOCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477467923 567396469 /nfs/dbraw/zinc/39/64/69/567396469.db2.gz ANNGMLFZCZLLTC-UHFFFAOYSA-N -1 3 392.880 3.065 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C1CCSCC1 ZINC000477470351 567396546 /nfs/dbraw/zinc/39/65/46/567396546.db2.gz LCIQQVBMCWOFFI-UHFFFAOYSA-N -1 3 392.905 3.002 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCC3)c1 ZINC000593204570 567396736 /nfs/dbraw/zinc/39/67/36/567396736.db2.gz ZAEQEZDCXFBPBM-XMMPIXPASA-N -1 3 399.921 3.344 20 0 GGADHM Cc1ccc2snc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)c2c1 ZINC000549551697 567397622 /nfs/dbraw/zinc/39/76/22/567397622.db2.gz XOZBHUJSZGXKIX-UHFFFAOYSA-N -1 3 379.438 3.368 20 0 GGADHM COc1cc(C(=O)N2CCOc3ccc(Br)cc3C2)ccc1[O-] ZINC000549570500 567399168 /nfs/dbraw/zinc/39/91/68/567399168.db2.gz YFVMIBXUQDUMAR-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM Cn1[n-]c(=NC(=O)c2ccc(Br)c(Cl)c2F)cc1OC(F)F ZINC000435998032 567399627 /nfs/dbraw/zinc/39/96/27/567399627.db2.gz VEGRDZVKJGCUPR-UHFFFAOYSA-N -1 3 398.566 3.251 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)N(C)C)cc1 ZINC000549631207 567401963 /nfs/dbraw/zinc/40/19/63/567401963.db2.gz XDEWPDKJUAAUDC-KRWDZBQOSA-N -1 3 386.489 3.268 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCCCC2CCC2)cc(C(F)(F)F)c1 ZINC000618614007 567402232 /nfs/dbraw/zinc/40/22/32/567402232.db2.gz GNLPRXHESGOAED-UHFFFAOYSA-N -1 3 378.416 3.387 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCO[C@@H](C)C2)c1-c1ccc(Br)cc1 ZINC000640943250 567403029 /nfs/dbraw/zinc/40/30/29/567403029.db2.gz VMOGZFPAPZAHLH-GWCFXTLKSA-N -1 3 378.270 3.323 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2C)ccc1[O-] ZINC000456704674 567403924 /nfs/dbraw/zinc/40/39/24/567403924.db2.gz ANYSZXCVMQOWMC-CQSZACIVSA-N -1 3 392.293 3.353 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)OCC2CC2)c1-c1ccc(Br)cc1 ZINC000640945199 567404636 /nfs/dbraw/zinc/40/46/36/567404636.db2.gz SAIYQSNLPBLLGY-NSHDSACASA-N -1 3 378.270 3.323 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000569452042 567405370 /nfs/dbraw/zinc/40/53/70/567405370.db2.gz QEFKAFHIWLFYQY-ZFWWWQNUSA-N -1 3 383.286 3.255 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000501794636 567406330 /nfs/dbraw/zinc/40/63/30/567406330.db2.gz LARHCRQDUIONAX-UHFFFAOYSA-N -1 3 378.475 3.239 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2c(F)ccc(C)c2Br)s1 ZINC000618675689 567406536 /nfs/dbraw/zinc/40/65/36/567406536.db2.gz WREJHNMRXLKOLJ-UHFFFAOYSA-N -1 3 388.218 3.177 20 0 GGADHM Cc1nc(-c2ccccc2NC(=O)C[N-]S(=O)(=O)c2cccs2)cs1 ZINC000477685289 567408808 /nfs/dbraw/zinc/40/88/08/567408808.db2.gz CWCDXFWLJBXZNX-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528317125 567409969 /nfs/dbraw/zinc/40/99/69/567409969.db2.gz PCAGMJSSYRTGLM-CHWSQXEVSA-N -1 3 397.313 3.312 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)Cc1c(F)cccc1Cl ZINC000477700261 567410218 /nfs/dbraw/zinc/41/02/18/567410218.db2.gz YEHIWSIAZMPSFK-CQSZACIVSA-N -1 3 388.620 3.489 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](CC)C(C)(C)C)c1 ZINC000501884095 567410288 /nfs/dbraw/zinc/41/02/88/567410288.db2.gz XXDBVPDBHDCYLL-AWEZNQCLSA-N -1 3 375.462 3.114 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1 ZINC000501878223 567410776 /nfs/dbraw/zinc/41/07/76/567410776.db2.gz CCSDPBWUZYCTPR-JTQLQIEISA-N -1 3 387.454 3.112 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cc(F)ccc1F ZINC000549774591 567410664 /nfs/dbraw/zinc/41/06/64/567410664.db2.gz XETOXEOOHLTXQJ-LLVKDONJSA-N -1 3 383.342 3.147 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000569550785 567411989 /nfs/dbraw/zinc/41/19/89/567411989.db2.gz ZDOPNSSRMXEAKJ-XJKSGUPXSA-N -1 3 379.243 3.101 20 0 GGADHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000549903970 567416751 /nfs/dbraw/zinc/41/67/51/567416751.db2.gz DIHLXFJHGBVMRB-UHFFFAOYSA-N -1 3 382.148 3.401 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)s1 ZINC000569575487 567414927 /nfs/dbraw/zinc/41/49/27/567414927.db2.gz BGVLYTQCPQDYLG-UHFFFAOYSA-N -1 3 394.341 3.026 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000549864450 567415542 /nfs/dbraw/zinc/41/55/42/567415542.db2.gz FHOZYLGTJPLWIO-UHFFFAOYSA-N -1 3 391.262 3.234 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)n2cc(COc3cccc(Br)c3)nn2)n1 ZINC000641147174 567417447 /nfs/dbraw/zinc/41/74/47/567417447.db2.gz XPVYWDKVGVOBDY-LLVKDONJSA-N -1 3 390.241 3.033 20 0 GGADHM CC1(C)CCC(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000502063408 567417630 /nfs/dbraw/zinc/41/76/30/567417630.db2.gz YREJESLCRKXVDG-UHFFFAOYSA-N -1 3 378.947 3.012 20 0 GGADHM COC(=O)c1cccc(CNCc2ccc(OC)c([O-])c2Br)c1 ZINC000569626121 567417749 /nfs/dbraw/zinc/41/77/49/567417749.db2.gz WYONVMCVGSBCRN-UHFFFAOYSA-N -1 3 380.238 3.240 20 0 GGADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1Cl ZINC000549912344 567418400 /nfs/dbraw/zinc/41/84/00/567418400.db2.gz LJEQPZZFSOVTPM-UHFFFAOYSA-N -1 3 382.766 3.414 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)c1 ZINC000549915644 567418495 /nfs/dbraw/zinc/41/84/95/567418495.db2.gz UGIPBGLUGCIHOO-UHFFFAOYSA-N -1 3 381.500 3.270 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502090650 567418703 /nfs/dbraw/zinc/41/87/03/567418703.db2.gz KMEMBLPKIIQGFJ-NSHDSACASA-N -1 3 378.947 3.012 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000477799589 567419629 /nfs/dbraw/zinc/41/96/29/567419629.db2.gz ZIKBMOQIRLILSR-LLVKDONJSA-N -1 3 398.937 3.393 20 0 GGADHM CCc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)sc1C ZINC000502098498 567420121 /nfs/dbraw/zinc/42/01/21/567420121.db2.gz YXVGJJQHJMMBBI-UHFFFAOYSA-N -1 3 392.955 3.042 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1Cl ZINC000569649580 567421127 /nfs/dbraw/zinc/42/11/27/567421127.db2.gz BUXPOBNBTYMZAQ-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1cccc(Cl)c1Br ZINC000569662925 567421512 /nfs/dbraw/zinc/42/15/12/567421512.db2.gz HGIKJYCJKSOSBA-GFCCVEGCSA-N -1 3 396.734 3.322 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]C[C@H]3CCC[C@@H](F)C3)c(Cl)cc21 ZINC000528420487 567421498 /nfs/dbraw/zinc/42/14/98/567421498.db2.gz KUCUJHQJQVFHON-GXTWGEPZSA-N -1 3 388.892 3.056 20 0 GGADHM Cc1ccc(C(=O)NCCc2ccc(I)s2)c([O-])c1 ZINC000436796292 567452357 /nfs/dbraw/zinc/45/23/57/567452357.db2.gz VYZNFDMPVBIVPG-UHFFFAOYSA-N -1 3 387.242 3.339 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)c1 ZINC000502195690 567422789 /nfs/dbraw/zinc/42/27/89/567422789.db2.gz OBYPKILFIZNKPN-GFCCVEGCSA-N -1 3 387.479 3.189 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)[n-]1 ZINC000618920464 567423171 /nfs/dbraw/zinc/42/31/71/567423171.db2.gz XDSKRAVNMDVJMB-SECBINFHSA-N -1 3 398.282 3.468 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)c[n-]1 ZINC000618920464 567423177 /nfs/dbraw/zinc/42/31/77/567423177.db2.gz XDSKRAVNMDVJMB-SECBINFHSA-N -1 3 398.282 3.468 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000569675735 567423187 /nfs/dbraw/zinc/42/31/87/567423187.db2.gz RQSIJNBRHHUBLD-GXTWGEPZSA-N -1 3 399.925 3.370 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)cc1Cl)c1ccccn1 ZINC000549990614 567423332 /nfs/dbraw/zinc/42/33/32/567423332.db2.gz ULDUFEPRGRWLSX-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCCOc2ccccc2Br)[n-]1 ZINC000618919359 567423752 /nfs/dbraw/zinc/42/37/52/567423752.db2.gz IXGRTHSAENDUKK-UHFFFAOYSA-N -1 3 396.241 3.147 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCCOc2ccccc2Br)c[n-]1 ZINC000618919359 567423758 /nfs/dbraw/zinc/42/37/58/567423758.db2.gz IXGRTHSAENDUKK-UHFFFAOYSA-N -1 3 396.241 3.147 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)C(C)C)c1 ZINC000502208829 567423786 /nfs/dbraw/zinc/42/37/86/567423786.db2.gz QENFTZBKUFSTRA-INIZCTEOSA-N -1 3 383.491 3.219 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(CC)c2nccs2)c(F)c1 ZINC000593557657 567424056 /nfs/dbraw/zinc/42/40/56/567424056.db2.gz OODNJTCWNDSQRT-MRXNPFEDSA-N -1 3 386.470 3.063 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)OC)c1 ZINC000528448557 567425110 /nfs/dbraw/zinc/42/51/10/567425110.db2.gz JDUMXPNYHSBADO-GFCCVEGCSA-N -1 3 395.424 3.442 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000593573614 567425504 /nfs/dbraw/zinc/42/55/04/567425504.db2.gz YUAIJJGQBULDSG-UHFFFAOYSA-N -1 3 398.291 3.393 20 0 GGADHM CC(C)n1cnnc1C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528459421 567425932 /nfs/dbraw/zinc/42/59/32/567425932.db2.gz IXFOPFXPDOUKDR-UHFFFAOYSA-N -1 3 393.285 3.347 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c1 ZINC000436479787 567426792 /nfs/dbraw/zinc/42/67/92/567426792.db2.gz VMELKGFMBMAVDG-UHFFFAOYSA-N -1 3 389.260 3.040 20 0 GGADHM C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000502261984 567426939 /nfs/dbraw/zinc/42/69/39/567426939.db2.gz YAXZKFVWBQDOKS-VIFPVBQESA-N -1 3 388.276 3.251 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000502276449 567426980 /nfs/dbraw/zinc/42/69/80/567426980.db2.gz AXWPKSVOKXFNDM-UHFFFAOYSA-N -1 3 393.774 3.378 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2cc(F)c(Br)cc2F)on1 ZINC000528475482 567427146 /nfs/dbraw/zinc/42/71/46/567427146.db2.gz FYFDTQPSDLQCEZ-QMMMGPOBSA-N -1 3 395.225 3.204 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c(F)c1 ZINC000436478475 567427253 /nfs/dbraw/zinc/42/72/53/567427253.db2.gz PISQUXLJMRQRCU-UHFFFAOYSA-N -1 3 393.223 3.041 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000528468349 567427409 /nfs/dbraw/zinc/42/74/09/567427409.db2.gz AHEJRYODYLKEPZ-UHFFFAOYSA-N -1 3 380.691 3.356 20 0 GGADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528471126 567427848 /nfs/dbraw/zinc/42/78/48/567427848.db2.gz IXOOVCQIZKVUNP-LBPRGKRZSA-N -1 3 393.285 3.347 20 0 GGADHM COC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)C1 ZINC000619013551 567429124 /nfs/dbraw/zinc/42/91/24/567429124.db2.gz KOGUKFWQBSMCFF-WDEREUQCSA-N -1 3 380.293 3.230 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C ZINC000593627239 567429493 /nfs/dbraw/zinc/42/94/93/567429493.db2.gz OQDPYRCEPBTUGD-DZGCQCFKSA-N -1 3 379.865 3.269 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000593623899 567429844 /nfs/dbraw/zinc/42/98/44/567429844.db2.gz SFPGRVRPGXIRKX-CHWSQXEVSA-N -1 3 377.915 3.079 20 0 GGADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000593623755 567429966 /nfs/dbraw/zinc/42/99/66/567429966.db2.gz PFSOOPJUXXODTP-TZMCWYRMSA-N -1 3 388.942 3.177 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1F)c1cc(F)ccc1Br ZINC000569787531 567432428 /nfs/dbraw/zinc/43/24/28/567432428.db2.gz LNBZWCFMUHZIRE-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM Cc1ccc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)c([O-])c1 ZINC000436539462 567433219 /nfs/dbraw/zinc/43/32/19/567433219.db2.gz UENGORJLYVRABC-UHFFFAOYSA-N -1 3 378.222 3.164 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccccc3)cs2)nc1C ZINC000502428062 567434108 /nfs/dbraw/zinc/43/41/08/567434108.db2.gz RQZJUUYZVFURRE-LBPRGKRZSA-N -1 3 376.507 3.374 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)c(C)n1)c1nc(C(F)(F)F)cs1 ZINC000502418263 567434610 /nfs/dbraw/zinc/43/46/10/567434610.db2.gz DNOXBUBEQRIZPX-SECBINFHSA-N -1 3 382.433 3.116 20 0 GGADHM CN(C)CCOc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436559816 567434590 /nfs/dbraw/zinc/43/45/90/567434590.db2.gz BQIMQUJEOCHKLL-UHFFFAOYSA-N -1 3 379.254 3.347 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCN1C ZINC000502455131 567435241 /nfs/dbraw/zinc/43/52/41/567435241.db2.gz BUUMYTJRAKMHMP-SCZZXKLOSA-N -1 3 399.713 3.003 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502437641 567435302 /nfs/dbraw/zinc/43/53/02/567435302.db2.gz IASXPRFWEAQCAS-UHFFFAOYSA-N -1 3 388.276 3.032 20 0 GGADHM CC(C)c1ccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c([O-])c1 ZINC000436590241 567437520 /nfs/dbraw/zinc/43/75/20/567437520.db2.gz SJWAUZRJWNDTDA-UHFFFAOYSA-N -1 3 389.253 3.479 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000478141699 567438079 /nfs/dbraw/zinc/43/80/79/567438079.db2.gz FVGHFZIAWIQJKY-UHFFFAOYSA-N -1 3 379.331 3.211 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000569846958 567437999 /nfs/dbraw/zinc/43/79/99/567437999.db2.gz RAHSLQDELASXRJ-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM Cc1cc2sc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)nc2cc1F ZINC000478122688 567438528 /nfs/dbraw/zinc/43/85/28/567438528.db2.gz UDPXPDJHILEYEN-UHFFFAOYSA-N -1 3 379.438 3.368 20 0 GGADHM CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1ccccc1[O-] ZINC000436608620 567438969 /nfs/dbraw/zinc/43/89/69/567438969.db2.gz UWUFNHKWTXTKAD-UHFFFAOYSA-N -1 3 387.237 3.008 20 0 GGADHM C[C@@H]1CC[C@H](CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000478168610 567439298 /nfs/dbraw/zinc/43/92/98/567439298.db2.gz JHFMIQNUWWLTSB-MNOVXSKESA-N -1 3 378.416 3.243 20 0 GGADHM C[C@H]1CC[C@H](CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000478168611 567439367 /nfs/dbraw/zinc/43/93/67/567439367.db2.gz JHFMIQNUWWLTSB-QWRGUYRKSA-N -1 3 378.416 3.243 20 0 GGADHM CC(C)N1CC[C@@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000457099886 567439483 /nfs/dbraw/zinc/43/94/83/567439483.db2.gz VXGALEHIFDJWFV-GFCCVEGCSA-N -1 3 392.297 3.258 20 0 GGADHM C[C@@H]1CC[C@@H](CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000478152407 567439589 /nfs/dbraw/zinc/43/95/89/567439589.db2.gz IVOIECWVIYEFLW-VXGBXAGGSA-N -1 3 393.336 3.214 20 0 GGADHM C[C@H]1CC[C@H](CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000478161204 567439681 /nfs/dbraw/zinc/43/96/81/567439681.db2.gz BHPPZSQJTBMGOO-STQMWFEESA-N -1 3 398.575 3.454 20 0 GGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1cc2c(cc1Br)OCCO2 ZINC000436646167 567440011 /nfs/dbraw/zinc/44/00/11/567440011.db2.gz GNFKXZAIEHCKGS-VIFPVBQESA-N -1 3 394.221 3.123 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)CCCC1 ZINC000569889592 567440774 /nfs/dbraw/zinc/44/07/74/567440774.db2.gz UNSOQGHJDWEIAR-GFCCVEGCSA-N -1 3 388.555 3.154 20 0 GGADHM CN(C)CCOc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436640501 567440995 /nfs/dbraw/zinc/44/09/95/567440995.db2.gz INCYBVJXAYTCDS-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM COc1cccc(C(=O)NCc2cc(OC)c(OC)cc2Br)c1[O-] ZINC000436657344 567441059 /nfs/dbraw/zinc/44/10/59/567441059.db2.gz LHZFULXGFLANAG-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(CN2CCCCC2=O)CC1 ZINC000528595980 567441747 /nfs/dbraw/zinc/44/17/47/567441747.db2.gz XGTBULFQTPJCLS-UHFFFAOYSA-N -1 3 395.297 3.019 20 0 GGADHM O=C(c1cc(F)cc(Br)c1[O-])N1CCCN(CC2CCC2)CC1 ZINC000436680765 567441974 /nfs/dbraw/zinc/44/19/74/567441974.db2.gz OUCZFCFKJNQQIY-UHFFFAOYSA-N -1 3 385.277 3.242 20 0 GGADHM C[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000436683599 567442705 /nfs/dbraw/zinc/44/27/05/567442705.db2.gz VIVWWOGUESXVEL-LLVKDONJSA-N -1 3 381.259 3.349 20 0 GGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1cc(C(F)(F)F)ccc1F ZINC000569915910 567443697 /nfs/dbraw/zinc/44/36/97/567443697.db2.gz RMFXLHRUVDMMDL-UHFFFAOYSA-N -1 3 378.347 3.190 20 0 GGADHM O=S(=O)([N-]Cc1cn(C2CCC2)nn1)c1ccc(Cl)cc1C(F)(F)F ZINC000641559152 567443866 /nfs/dbraw/zinc/44/38/66/567443866.db2.gz ZSDMKPHTFIHYRW-UHFFFAOYSA-N -1 3 394.806 3.154 20 0 GGADHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Br ZINC000436693713 567443893 /nfs/dbraw/zinc/44/38/93/567443893.db2.gz CVVISMUDZQKFJL-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000569915009 567443935 /nfs/dbraw/zinc/44/39/35/567443935.db2.gz UGYHVGJHPJEZGJ-JTQLQIEISA-N -1 3 381.837 3.251 20 0 GGADHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Br)c1 ZINC000436694154 567444430 /nfs/dbraw/zinc/44/44/30/567444430.db2.gz GLUDIHFGSJXVPM-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2ccccc2Br)[nH][n-]1 ZINC000436692728 567444567 /nfs/dbraw/zinc/44/45/67/567444567.db2.gz NZYWYATYFAFMER-UHFFFAOYSA-N -1 3 399.248 3.147 20 0 GGADHM CCC[C@@H](OCC)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000528648391 567445214 /nfs/dbraw/zinc/44/52/14/567445214.db2.gz GJSXPUHQOVIJPI-CQSZACIVSA-N -1 3 392.880 3.064 20 0 GGADHM CC1CCC(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)CC1 ZINC000436717127 567445853 /nfs/dbraw/zinc/44/58/53/567445853.db2.gz FFLWAHIYVJTKTJ-UHFFFAOYSA-N -1 3 381.314 3.491 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)[C@H]1C1CC1 ZINC000528651963 567445985 /nfs/dbraw/zinc/44/59/85/567445985.db2.gz SJFJBFUERJQKHN-OCJYXSBASA-N -1 3 386.876 3.150 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436733986 567447346 /nfs/dbraw/zinc/44/73/46/567447346.db2.gz JDESKWNENNVCJG-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM CCN=c1[n-]c(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cs1 ZINC000478294835 567447474 /nfs/dbraw/zinc/44/74/74/567447474.db2.gz VSJIEOKKXJSZAM-ZDUSSCGKSA-N -1 3 378.929 3.215 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000436731102 567447645 /nfs/dbraw/zinc/44/76/45/567447645.db2.gz JVLVMSHPWCEFIA-ZETCQYMHSA-N -1 3 394.305 3.448 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436736285 567447760 /nfs/dbraw/zinc/44/77/60/567447760.db2.gz OFJQUIKOOHIVOX-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000436740588 567449172 /nfs/dbraw/zinc/44/91/72/567449172.db2.gz YWYDFVVSSKMRIT-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(Br)cc1[O-])N(C)C ZINC000436754711 567449267 /nfs/dbraw/zinc/44/92/67/567449267.db2.gz JDQQOMXVFUUYKA-OAHLLOKOSA-N -1 3 393.281 3.196 20 0 GGADHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000550491435 567449441 /nfs/dbraw/zinc/44/94/41/567449441.db2.gz NKOWFSZELWHOMU-GFCCVEGCSA-N -1 3 399.310 3.010 20 0 GGADHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000550491436 567449520 /nfs/dbraw/zinc/44/95/20/567449520.db2.gz NKOWFSZELWHOMU-LBPRGKRZSA-N -1 3 399.310 3.010 20 0 GGADHM CCCOc1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1Cl ZINC000502778517 567450183 /nfs/dbraw/zinc/45/01/83/567450183.db2.gz FRDLQMNLNCMUSH-UHFFFAOYSA-N -1 3 383.857 3.148 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(N=S2(=O)CCCC2)cc1 ZINC000641692119 567450293 /nfs/dbraw/zinc/45/02/93/567450293.db2.gz LXKAWBMXKIUYGZ-KRWDZBQOSA-N -1 3 388.555 3.383 20 0 GGADHM CO[C@H](CS(=O)(=O)Nc1cccc([O-])c1Br)C1CCCC1 ZINC000641689296 567450446 /nfs/dbraw/zinc/45/04/46/567450446.db2.gz PCISAISUJCRJPI-CYBMUJFWSA-N -1 3 378.288 3.102 20 0 GGADHM COc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1[O-] ZINC000436778843 567450665 /nfs/dbraw/zinc/45/06/65/567450665.db2.gz IMLOARTWYYLFRV-CYBMUJFWSA-N -1 3 391.265 3.172 20 0 GGADHM O=S(=O)(CCc1ccccc1F)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000641692595 567450967 /nfs/dbraw/zinc/45/09/67/567450967.db2.gz PPADJBOZCMNKHV-UHFFFAOYSA-N -1 3 385.770 3.222 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)[n-]1 ZINC000619447528 567451953 /nfs/dbraw/zinc/45/19/53/567451953.db2.gz DSDFICMQLDSECI-VIFPVBQESA-N -1 3 398.232 3.305 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c[n-]1 ZINC000619447528 567451958 /nfs/dbraw/zinc/45/19/58/567451958.db2.gz DSDFICMQLDSECI-VIFPVBQESA-N -1 3 398.232 3.305 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Br)c(Cl)c2F)[n-]1 ZINC000619447604 567451974 /nfs/dbraw/zinc/45/19/74/567451974.db2.gz HLPJVPPRDDGZIU-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2ccc(Br)c(Cl)c2F)c[n-]1 ZINC000619447604 567451980 /nfs/dbraw/zinc/45/19/80/567451980.db2.gz HLPJVPPRDDGZIU-UHFFFAOYSA-N -1 3 390.596 3.394 20 0 GGADHM CCN(CCNC(=O)c1ccc(Br)cc1[O-])CCC(F)(F)F ZINC000436797317 567452404 /nfs/dbraw/zinc/45/24/04/567452404.db2.gz FCERJIVVXRFEOO-UHFFFAOYSA-N -1 3 383.208 3.159 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)[n-]1 ZINC000619447804 567452492 /nfs/dbraw/zinc/45/24/92/567452492.db2.gz PKONCMNBWLAVRX-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM CCOC(=O)c1nc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)c[n-]1 ZINC000619447804 567452500 /nfs/dbraw/zinc/45/25/00/567452500.db2.gz PKONCMNBWLAVRX-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM CC1(C)CN(C(=O)c2cncc([N-]S(C)(=O)=O)c2)c2cccc(Cl)c21 ZINC000502802759 567452878 /nfs/dbraw/zinc/45/28/78/567452878.db2.gz OZGDVPHZCOBDKA-UHFFFAOYSA-N -1 3 379.869 3.045 20 0 GGADHM CSCc1cnc(CNC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000436795724 567452910 /nfs/dbraw/zinc/45/29/10/567452910.db2.gz ZYNKIHKRTIRIKT-UHFFFAOYSA-N -1 3 377.535 3.106 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCc2ccc(Br)cc2F)[n-]1 ZINC000619447214 567452986 /nfs/dbraw/zinc/45/29/86/567452986.db2.gz PJFITYFEZPXGJP-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCc2ccc(Br)cc2F)c[n-]1 ZINC000619447214 567452992 /nfs/dbraw/zinc/45/29/92/567452992.db2.gz PJFITYFEZPXGJP-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM COc1cccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c1[O-] ZINC000436788294 567452965 /nfs/dbraw/zinc/45/29/65/567452965.db2.gz WRXHYTVOVNNXFI-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM O=C(NCCc1c[nH]c2cccc(Br)c12)c1ccc(O)cc1[O-] ZINC000436789134 567453008 /nfs/dbraw/zinc/45/30/08/567453008.db2.gz CNBPNQNQGDVDTJ-UHFFFAOYSA-N -1 3 375.222 3.314 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)Cc2c[nH]c3cccc(Br)c23)[n-]1 ZINC000619449210 567453707 /nfs/dbraw/zinc/45/37/07/567453707.db2.gz WYLSEJDCDUTCSP-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM CCOC(=O)c1nc(NC(=O)Cc2c[nH]c3cccc(Br)c23)c[n-]1 ZINC000619449210 567453714 /nfs/dbraw/zinc/45/37/14/567453714.db2.gz WYLSEJDCDUTCSP-UHFFFAOYSA-N -1 3 391.225 3.011 20 0 GGADHM COC1CCN(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000594033856 567453753 /nfs/dbraw/zinc/45/37/53/567453753.db2.gz WFLQIMIJDFNLBC-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCCOc2cccc(Br)c2)[n-]1 ZINC000619448008 567454135 /nfs/dbraw/zinc/45/41/35/567454135.db2.gz YSCBHXCBFKVCNY-UHFFFAOYSA-N -1 3 396.241 3.147 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCCOc2cccc(Br)c2)c[n-]1 ZINC000619448008 567454139 /nfs/dbraw/zinc/45/41/39/567454139.db2.gz YSCBHXCBFKVCNY-UHFFFAOYSA-N -1 3 396.241 3.147 20 0 GGADHM Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c([O-])c1C ZINC000436807876 567454774 /nfs/dbraw/zinc/45/47/74/567454774.db2.gz ZTUFWLUEMPVYLK-OAHLLOKOSA-N -1 3 382.229 3.374 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436820644 567454941 /nfs/dbraw/zinc/45/49/41/567454941.db2.gz IBGORJYYNUKTJE-MGPLVRAMSA-N -1 3 380.238 3.366 20 0 GGADHM Cc1coc(C)c1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000550654858 567455118 /nfs/dbraw/zinc/45/51/18/567455118.db2.gz KDZFSLMMUXNBFZ-UHFFFAOYSA-N -1 3 386.832 3.382 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2C[C@H](C)O[C@@H](C)C2)c(F)cc1Br ZINC000570065795 567455511 /nfs/dbraw/zinc/45/55/11/567455511.db2.gz HOKRZKOOMGHEAY-UWVGGRQHSA-N -1 3 380.279 3.131 20 0 GGADHM COC(=O)[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(Cl)cc1Cl ZINC000436833130 567456619 /nfs/dbraw/zinc/45/66/19/567456619.db2.gz LHOBSTIGQZYCQI-CQSZACIVSA-N -1 3 384.215 3.352 20 0 GGADHM O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000478453092 567458783 /nfs/dbraw/zinc/45/87/83/567458783.db2.gz FAYWWYIRAWJMQE-HNNXBMFYSA-N -1 3 377.227 3.298 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)s1 ZINC000570114934 567459034 /nfs/dbraw/zinc/45/90/34/567459034.db2.gz CIHQFQZJIWQKEK-QMMMGPOBSA-N -1 3 379.916 3.246 20 0 GGADHM Cc1nc(C)c(CC(=O)N(C)Cc2ccc(Br)cc2Cl)c(=O)[n-]1 ZINC000478466262 567459716 /nfs/dbraw/zinc/45/97/16/567459716.db2.gz IMUHKFPADRICQH-UHFFFAOYSA-N -1 3 398.688 3.416 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 ZINC000570122131 567459922 /nfs/dbraw/zinc/45/99/22/567459922.db2.gz XPHQCUPYHXJQNF-UHFFFAOYSA-N -1 3 391.873 3.464 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000619507904 567459961 /nfs/dbraw/zinc/45/99/61/567459961.db2.gz FRDVPOUXCCLMMH-UHFFFAOYSA-N -1 3 381.837 3.171 20 0 GGADHM O=C(c1cc(F)cc(Br)c1[O-])N1CCN(C2CCCCC2)CC1 ZINC000436858840 567459975 /nfs/dbraw/zinc/45/99/75/567459975.db2.gz PRIFUBKWFUNYFR-UHFFFAOYSA-N -1 3 385.277 3.384 20 0 GGADHM CN(C)[C@H](CNC(=O)c1cc(F)cc(Br)c1[O-])c1ccccc1 ZINC000436853590 567460021 /nfs/dbraw/zinc/46/00/21/567460021.db2.gz QZRPZACLEIQFRT-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000528838665 567460915 /nfs/dbraw/zinc/46/09/15/567460915.db2.gz ZCWQRJVXPZZJDZ-KRWDZBQOSA-N -1 3 394.265 3.405 20 0 GGADHM Cc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2Br)c([O-])c1 ZINC000436869186 567461322 /nfs/dbraw/zinc/46/13/22/567461322.db2.gz LYBRNRFTCSHPCL-CYBMUJFWSA-N -1 3 378.266 3.044 20 0 GGADHM Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c([O-])c1 ZINC000436867225 567461380 /nfs/dbraw/zinc/46/13/80/567461380.db2.gz BFWVVOGNMXFOSL-AWEZNQCLSA-N -1 3 378.266 3.044 20 0 GGADHM CC(C)Oc1cccc([C@H](O)CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000528837039 567461557 /nfs/dbraw/zinc/46/15/57/567461557.db2.gz QOSOISDKGASPSZ-QGZVFWFLSA-N -1 3 394.265 3.405 20 0 GGADHM Cc1ccc(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)c([O-])c1 ZINC000436867226 567461601 /nfs/dbraw/zinc/46/16/01/567461601.db2.gz BFWVVOGNMXFOSL-CQSZACIVSA-N -1 3 378.266 3.044 20 0 GGADHM Cc1ccc(F)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000641974146 567461702 /nfs/dbraw/zinc/46/17/02/567461702.db2.gz PMKCFDXALYBKMP-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000641974399 567462045 /nfs/dbraw/zinc/46/20/45/567462045.db2.gz URQLIUUVUBDXCI-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM Cc1ccc([O-])c(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)c1 ZINC000436881428 567462411 /nfs/dbraw/zinc/46/24/11/567462411.db2.gz NWYFUVHUBBNKGZ-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM COC(=O)C[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(Br)cc1 ZINC000436905158 567464126 /nfs/dbraw/zinc/46/41/26/567464126.db2.gz ZMJUVTZWHZDJNY-OAHLLOKOSA-N -1 3 392.249 3.497 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457415388 567464448 /nfs/dbraw/zinc/46/44/48/567464448.db2.gz SAKMRBSFOMONJG-UHFFFAOYSA-N -1 3 393.237 3.239 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436897587 567464932 /nfs/dbraw/zinc/46/49/32/567464932.db2.gz SDVHPAKBCALFID-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2nn[n-]c21)Oc1ccc(Br)cc1 ZINC000503022066 567465026 /nfs/dbraw/zinc/46/50/26/567465026.db2.gz KCPUNOLIWJXENX-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2[n-]nnc21)Oc1ccc(Br)cc1 ZINC000503022066 567465033 /nfs/dbraw/zinc/46/50/33/567465033.db2.gz KCPUNOLIWJXENX-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2n[n-]nc21)Oc1ccc(Br)cc1 ZINC000503022066 567465038 /nfs/dbraw/zinc/46/50/38/567465038.db2.gz KCPUNOLIWJXENX-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc(Br)ccc1[O-] ZINC000436920321 567465868 /nfs/dbraw/zinc/46/58/68/567465868.db2.gz GQCNIRPIKCXLLR-UHFFFAOYSA-N -1 3 378.201 3.143 20 0 GGADHM COc1cc(Br)c(CNC(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000436925217 567466185 /nfs/dbraw/zinc/46/61/85/567466185.db2.gz JLXDPMMQXJRSAU-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM Cc1cc(CNC(=O)c2cc(Br)ccc2[O-])cc(N2CCCC2)n1 ZINC000436928844 567466376 /nfs/dbraw/zinc/46/63/76/567466376.db2.gz CLOMUIKEYZHDQP-UHFFFAOYSA-N -1 3 390.281 3.388 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCc3sc(Cl)cc32)c([O-])c1 ZINC000436925592 567466703 /nfs/dbraw/zinc/46/67/03/567466703.db2.gz HHAAZEDEBVRXBQ-ZDUSSCGKSA-N -1 3 378.881 3.339 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000528888682 567466757 /nfs/dbraw/zinc/46/67/57/567466757.db2.gz LZBMIEDKNATXRR-LJQANCHMSA-N -1 3 388.261 3.469 20 0 GGADHM O=S(=O)([N-]CCc1csc(-c2ccc(Cl)cc2)n1)c1ccccn1 ZINC000550883688 567467720 /nfs/dbraw/zinc/46/77/20/567467720.db2.gz FFTCIVIUANTKCR-UHFFFAOYSA-N -1 3 379.894 3.380 20 0 GGADHM CSCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000619590425 567468060 /nfs/dbraw/zinc/46/80/60/567468060.db2.gz KCJFKBSNIBORSA-UHFFFAOYSA-N -1 3 378.235 3.109 20 0 GGADHM CCCCOc1ccc(C(=O)N(C)CCn2cc(Br)cn2)c([O-])c1 ZINC000436937350 567468767 /nfs/dbraw/zinc/46/87/67/567468767.db2.gz HXXGGIWJGNMVCQ-UHFFFAOYSA-N -1 3 396.285 3.302 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCc2cc(Br)ccc21 ZINC000503174962 567472351 /nfs/dbraw/zinc/47/23/51/567472351.db2.gz VAJDIGTXCJKCCK-UHFFFAOYSA-N -1 3 375.201 3.453 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCc2cc(Br)ccc21 ZINC000503174962 567472356 /nfs/dbraw/zinc/47/23/56/567472356.db2.gz VAJDIGTXCJKCCK-UHFFFAOYSA-N -1 3 375.201 3.453 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCc2cc(Br)ccc21 ZINC000503174962 567472359 /nfs/dbraw/zinc/47/23/59/567472359.db2.gz VAJDIGTXCJKCCK-UHFFFAOYSA-N -1 3 375.201 3.453 20 0 GGADHM CCCCOc1ccc(C(=O)Nc2cc(Br)c(=O)n(C)c2)c([O-])c1 ZINC000436988362 567472440 /nfs/dbraw/zinc/47/24/40/567472440.db2.gz ONWMOHNFNJHPQR-UHFFFAOYSA-N -1 3 395.253 3.285 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2)s1 ZINC000619664508 567472792 /nfs/dbraw/zinc/47/27/92/567472792.db2.gz RYFJGHONGYMEBX-NEPJUHHUSA-N -1 3 384.498 3.166 20 0 GGADHM COc1cccc(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1[O-] ZINC000436999210 567473908 /nfs/dbraw/zinc/47/39/08/567473908.db2.gz MACLYBXOJHTTAL-UHFFFAOYSA-N -1 3 380.809 3.078 20 0 GGADHM CC(C)(C)C(=O)N1CCN(C(=O)c2cc([O-])cc(Br)c2)C(C)(C)C1 ZINC000528971612 567473933 /nfs/dbraw/zinc/47/39/33/567473933.db2.gz WVEZETSXSLRHTF-UHFFFAOYSA-N -1 3 397.313 3.264 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])c1cccs1 ZINC000642323502 567474158 /nfs/dbraw/zinc/47/41/58/567474158.db2.gz DYMOUOTZNKFBRH-LBPRGKRZSA-N -1 3 383.267 3.422 20 0 GGADHM O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Br)cc1[O-] ZINC000642323253 567474174 /nfs/dbraw/zinc/47/41/74/567474174.db2.gz ZLPQDQWEDZQNGG-UHFFFAOYSA-N -1 3 388.221 3.375 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000642322938 567474230 /nfs/dbraw/zinc/47/42/30/567474230.db2.gz AZLFPVNTKVRFEP-UHFFFAOYSA-N -1 3 389.205 3.060 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000642323304 567474577 /nfs/dbraw/zinc/47/45/77/567474577.db2.gz DZAKLYWPGPETIC-LLVKDONJSA-N -1 3 375.222 3.146 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000642323223 567474833 /nfs/dbraw/zinc/47/48/33/567474833.db2.gz WGAMOLDDONKZFB-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM Cc1cccc([C@H](CC(=O)Nc2ccc(Br)cc2[O-])NC(N)=O)c1 ZINC000642323344 567474896 /nfs/dbraw/zinc/47/48/96/567474896.db2.gz IFMHGXUMKWCMPN-AWEZNQCLSA-N -1 3 392.253 3.201 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1[O-])c1cccs1 ZINC000642323501 567474962 /nfs/dbraw/zinc/47/49/62/567474962.db2.gz DYMOUOTZNKFBRH-GFCCVEGCSA-N -1 3 383.267 3.422 20 0 GGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C(N)=O)c1 ZINC000478693205 567475219 /nfs/dbraw/zinc/47/52/19/567475219.db2.gz DQXRDMLXZQDRNL-UHFFFAOYSA-N -1 3 382.869 3.335 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cn3ccsc3n2)sc1Br ZINC000503233629 567475727 /nfs/dbraw/zinc/47/57/27/567475727.db2.gz QKQFIZBCIHNAOL-UHFFFAOYSA-N -1 3 392.325 3.007 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000642333722 567475978 /nfs/dbraw/zinc/47/59/78/567475978.db2.gz VPUFQVAVDOHAKP-UHFFFAOYSA-N -1 3 380.274 3.305 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478681567 567476080 /nfs/dbraw/zinc/47/60/80/567476080.db2.gz PBHMBAUASCWERQ-LLVKDONJSA-N -1 3 386.823 3.261 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Cl)cc1 ZINC000503255572 567477173 /nfs/dbraw/zinc/47/71/73/567477173.db2.gz IXPWMYNJNQZECV-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C)c1F ZINC000594457256 567477737 /nfs/dbraw/zinc/47/77/37/567477737.db2.gz YDQDRMFDBFOEQD-UHFFFAOYSA-N -1 3 375.462 3.015 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000551107826 567478302 /nfs/dbraw/zinc/47/83/02/567478302.db2.gz GQVBOJYFSCUUIC-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1F ZINC000478712161 567478368 /nfs/dbraw/zinc/47/83/68/567478368.db2.gz RMLZJYQIRMPAGY-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@H](CN2CCCC2)c2ccccc2)s1 ZINC000642400792 567478865 /nfs/dbraw/zinc/47/88/65/567478865.db2.gz LULDWKRLSBDMCJ-CQSZACIVSA-N -1 3 377.539 3.031 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000594477430 567478943 /nfs/dbraw/zinc/47/89/43/567478943.db2.gz MHRSPDNSHDDJPH-VIFPVBQESA-N -1 3 385.379 3.101 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)(C)C)s1 ZINC000594478542 567480185 /nfs/dbraw/zinc/48/01/85/567480185.db2.gz UWZBREQARXJSRL-QMMMGPOBSA-N -1 3 398.344 3.075 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000642523571 567480324 /nfs/dbraw/zinc/48/03/24/567480324.db2.gz TVNRNWCCNFRVNN-NSHDSACASA-N -1 3 384.851 3.369 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000642515856 567480959 /nfs/dbraw/zinc/48/09/59/567480959.db2.gz RAWNDNWLUYOKPY-UHFFFAOYSA-N -1 3 384.851 3.369 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccccc1Cl ZINC000503345217 567481551 /nfs/dbraw/zinc/48/15/51/567481551.db2.gz PBKCIUYWXJMMMI-MRXNPFEDSA-N -1 3 381.885 3.234 20 0 GGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000551132206 567481473 /nfs/dbraw/zinc/48/14/73/567481473.db2.gz HBOSOLSBUCYEEP-UHFFFAOYSA-N -1 3 383.779 3.264 20 0 GGADHM O=S(=O)([N-][C@H]1CC12CCOCC2)c1cc(Cl)ccc1OCC1CCC1 ZINC000570401609 567481679 /nfs/dbraw/zinc/48/16/79/567481679.db2.gz NDNKITZSTYZVFQ-KRWDZBQOSA-N -1 3 385.913 3.366 20 0 GGADHM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1cc(Cl)ccc1OCC1CCC1 ZINC000570401610 567481994 /nfs/dbraw/zinc/48/19/94/567481994.db2.gz NDNKITZSTYZVFQ-QGZVFWFLSA-N -1 3 385.913 3.366 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cncc(Br)c2)CCCCC1 ZINC000478761169 567482221 /nfs/dbraw/zinc/48/22/21/567482221.db2.gz RJIPAOBYUBYFJK-UHFFFAOYSA-N -1 3 391.331 3.109 20 0 GGADHM CN(C)c1cnc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)cn1 ZINC000478784279 567483384 /nfs/dbraw/zinc/48/33/84/567483384.db2.gz AFGRUGAEAPGGIV-UHFFFAOYSA-N -1 3 378.820 3.106 20 0 GGADHM O=C(COc1ccc2c([O-])coc2c1)Nc1ccc(Br)cc1F ZINC000642608863 567483733 /nfs/dbraw/zinc/48/37/33/567483733.db2.gz QWEVSHVTXOIBFA-UHFFFAOYSA-N -1 3 380.169 3.181 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2cc(Br)cs2)no1 ZINC000551168418 567484032 /nfs/dbraw/zinc/48/40/32/567484032.db2.gz VSDGHCYUDOBCKE-UHFFFAOYSA-N -1 3 393.328 3.416 20 0 GGADHM C[C@@]1(c2cccc(C(F)(F)F)c2)[N-]C(=O)N(Cc2nnsc2Cl)C1=O ZINC000642611364 567484142 /nfs/dbraw/zinc/48/41/42/567484142.db2.gz UMJNSIBOVQCOEH-ZDUSSCGKSA-N -1 3 390.774 3.178 20 0 GGADHM C[C@H](NC(=O)COc1ccc2c([O-])coc2c1)c1ccc(Br)cc1 ZINC000642608612 567484207 /nfs/dbraw/zinc/48/42/07/567484207.db2.gz KERAOIXRHADNHA-NSHDSACASA-N -1 3 390.233 3.280 20 0 GGADHM CN(Cc1ccccc1Br)C(=O)COc1ccc2c([O-])coc2c1 ZINC000642608965 567484291 /nfs/dbraw/zinc/48/42/91/567484291.db2.gz WTCWGBQZXSBEAR-UHFFFAOYSA-N -1 3 390.233 3.062 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000503421285 567484362 /nfs/dbraw/zinc/48/43/62/567484362.db2.gz VVWJTSFXSOUYBR-UHFFFAOYSA-N -1 3 382.239 3.135 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccccc1C ZINC000503423979 567484401 /nfs/dbraw/zinc/48/44/01/567484401.db2.gz DUJDSYFYJIBKTD-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM Cc1cc(OCC(=O)Nc2ccc(Br)cc2)cc2occ([O-])c21 ZINC000642609998 567484559 /nfs/dbraw/zinc/48/45/59/567484559.db2.gz LMNCFNYCASEKRL-UHFFFAOYSA-N -1 3 376.206 3.350 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000503435706 567484693 /nfs/dbraw/zinc/48/46/93/567484693.db2.gz WQYLVGUGWUPVQB-UHFFFAOYSA-N -1 3 399.222 3.105 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CCCCC1 ZINC000478791526 567484729 /nfs/dbraw/zinc/48/47/29/567484729.db2.gz ZBCMTEXHHOKSGD-UHFFFAOYSA-N -1 3 391.331 3.109 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1cccc(Cl)c1 ZINC000570427860 567485122 /nfs/dbraw/zinc/48/51/22/567485122.db2.gz MKWRGVJBGPUTFO-OAHLLOKOSA-N -1 3 386.901 3.433 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)Oc1ccccc1Cl ZINC000503450166 567485513 /nfs/dbraw/zinc/48/55/13/567485513.db2.gz SOIADEFEPFDIAZ-ZDUSSCGKSA-N -1 3 383.901 3.009 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503454226 567485790 /nfs/dbraw/zinc/48/57/90/567485790.db2.gz MIGGIEVZQFBYPV-UHFFFAOYSA-N -1 3 392.188 3.070 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503454226 567485795 /nfs/dbraw/zinc/48/57/95/567485795.db2.gz MIGGIEVZQFBYPV-UHFFFAOYSA-N -1 3 392.188 3.070 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503454226 567485799 /nfs/dbraw/zinc/48/57/99/567485799.db2.gz MIGGIEVZQFBYPV-UHFFFAOYSA-N -1 3 392.188 3.070 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)c(F)c1 ZINC000478867756 567487164 /nfs/dbraw/zinc/48/71/64/567487164.db2.gz NQRLCARSTPIWPI-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM CCN(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000478855695 567487526 /nfs/dbraw/zinc/48/75/26/567487526.db2.gz DMYMGQRFEPCASM-UHFFFAOYSA-N -1 3 382.869 3.247 20 0 GGADHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc([O-])cc(Br)c1 ZINC000529119188 567487798 /nfs/dbraw/zinc/48/77/98/567487798.db2.gz KDFYHFNOLMACCC-YGRLFVJLSA-N -1 3 396.203 3.368 20 0 GGADHM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc([O-])cc(Br)c1 ZINC000529119187 567487807 /nfs/dbraw/zinc/48/78/07/567487807.db2.gz KDFYHFNOLMACCC-QMTHXVAHSA-N -1 3 396.203 3.368 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)oc1C ZINC000437288307 567487927 /nfs/dbraw/zinc/48/79/27/567487927.db2.gz MRACBECMBSFMSG-GHMZBOCLSA-N -1 3 383.388 3.022 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(C)(C)C ZINC000570468752 567487914 /nfs/dbraw/zinc/48/79/14/567487914.db2.gz DRPFSFJPHOGHOQ-AWEZNQCLSA-N -1 3 390.933 3.153 20 0 GGADHM COCc1c(Br)cccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503483385 567488647 /nfs/dbraw/zinc/48/86/47/567488647.db2.gz PZJZBDUUVUSECC-UHFFFAOYSA-N -1 3 379.189 3.258 20 0 GGADHM COCc1c(Br)cccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503483385 567488652 /nfs/dbraw/zinc/48/86/52/567488652.db2.gz PZJZBDUUVUSECC-UHFFFAOYSA-N -1 3 379.189 3.258 20 0 GGADHM COCc1c(Br)cccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503483385 567488658 /nfs/dbraw/zinc/48/86/58/567488658.db2.gz PZJZBDUUVUSECC-UHFFFAOYSA-N -1 3 379.189 3.258 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)ccc1OC(F)F ZINC000663262173 567489056 /nfs/dbraw/zinc/48/90/56/567489056.db2.gz QLLMYBXFPONSHI-HNNXBMFYSA-N -1 3 379.425 3.244 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000437298108 567489552 /nfs/dbraw/zinc/48/95/52/567489552.db2.gz FGRKSXMCQJFQAJ-MWLCHTKSSA-N -1 3 385.429 3.182 20 0 GGADHM O=C(NCC1=CCCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000620003314 567489829 /nfs/dbraw/zinc/48/98/29/567489829.db2.gz ULOBRNHIBGNQNS-UHFFFAOYSA-N -1 3 382.532 3.128 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000503500995 567490068 /nfs/dbraw/zinc/49/00/68/567490068.db2.gz AYALYKZOISJBBM-UHFFFAOYSA-N -1 3 398.319 3.018 20 0 GGADHM Cc1ccc([C@@H](C)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000503528232 567491452 /nfs/dbraw/zinc/49/14/52/567491452.db2.gz SJZMZQSZQPXEEF-LSDHHAIUSA-N -1 3 380.535 3.251 20 0 GGADHM [O-]C(=NOC1CCOCC1)Nc1cc(Br)cc(Br)c1 ZINC000529167067 567492960 /nfs/dbraw/zinc/49/29/60/567492960.db2.gz QHXCUQQCFNKIKL-UHFFFAOYSA-N -1 3 394.063 3.444 20 0 GGADHM O=C([N-]OC1CCOCC1)Nc1cc(Br)cc(Br)c1 ZINC000529167067 567492963 /nfs/dbraw/zinc/49/29/63/567492963.db2.gz QHXCUQQCFNKIKL-UHFFFAOYSA-N -1 3 394.063 3.444 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3sccc3C)c(C)c2)CC1 ZINC000437341868 567493103 /nfs/dbraw/zinc/49/31/03/567493103.db2.gz XPWXDGIHTQQUML-UHFFFAOYSA-N -1 3 379.551 3.308 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cc2c(s1)CCCCCC2 ZINC000437349186 567493848 /nfs/dbraw/zinc/49/38/48/567493848.db2.gz ULJFMDFIKJQROA-UHFFFAOYSA-N -1 3 398.575 3.177 20 0 GGADHM COc1cccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c1Cl ZINC000594677807 567495805 /nfs/dbraw/zinc/49/58/05/567495805.db2.gz KOEHTXGUEUJEAU-DEOSSOPVSA-N -1 3 380.775 3.312 20 0 GGADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000643193266 567495946 /nfs/dbraw/zinc/49/59/46/567495946.db2.gz CPPHUKDEMBVHRH-JTQLQIEISA-N -1 3 393.408 3.058 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000529196252 567496657 /nfs/dbraw/zinc/49/66/57/567496657.db2.gz VINCVAQYZAYRAK-CQSZACIVSA-N -1 3 395.228 3.372 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643197147 567496882 /nfs/dbraw/zinc/49/68/82/567496882.db2.gz RICDJHJCXLVDPR-CMPLNLGQSA-N -1 3 379.425 3.210 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccnn1C ZINC000643206515 567498005 /nfs/dbraw/zinc/49/80/05/567498005.db2.gz ORVLDAWJCMNPDY-JTQLQIEISA-N -1 3 381.445 3.219 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccnn1C ZINC000643206516 567498217 /nfs/dbraw/zinc/49/82/17/567498217.db2.gz ORVLDAWJCMNPDY-SNVBAGLBSA-N -1 3 381.445 3.219 20 0 GGADHM COc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c(Br)c1[O-] ZINC000663337411 567498150 /nfs/dbraw/zinc/49/81/50/567498150.db2.gz WSNCBBPRLOTYHH-CQSZACIVSA-N -1 3 397.313 3.187 20 0 GGADHM Cc1cccc([C@@H]2C(=O)NCCN2Cc2cccc([O-])c2Br)c1 ZINC000570582562 567498314 /nfs/dbraw/zinc/49/83/14/567498314.db2.gz AKFVSYZHSQEOAK-QGZVFWFLSA-N -1 3 375.266 3.136 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1OC(F)F ZINC000643211003 567499625 /nfs/dbraw/zinc/49/96/25/567499625.db2.gz SZNLCXUDMBSBEC-HONMWMINSA-N -1 3 393.839 3.177 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503685556 567500702 /nfs/dbraw/zinc/50/07/02/567500702.db2.gz QHFXFKRDXPGUDZ-QMMMGPOBSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503685556 567500711 /nfs/dbraw/zinc/50/07/11/567500711.db2.gz QHFXFKRDXPGUDZ-QMMMGPOBSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503685556 567500718 /nfs/dbraw/zinc/50/07/18/567500718.db2.gz QHFXFKRDXPGUDZ-QMMMGPOBSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570646299 567502489 /nfs/dbraw/zinc/50/24/89/567502489.db2.gz GZCRPECOWHVYBH-UWVGGRQHSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H]1CCCC[C@@H]1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000620164857 567503320 /nfs/dbraw/zinc/50/33/20/567503320.db2.gz HSQWQUJLYPPPMV-LSDHHAIUSA-N -1 3 384.567 3.234 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)s1 ZINC000437646566 567503595 /nfs/dbraw/zinc/50/35/95/567503595.db2.gz PDYQVWSTJMYMOC-YPMHNXCESA-N -1 3 397.595 3.338 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000570657547 567503920 /nfs/dbraw/zinc/50/39/20/567503920.db2.gz OBYXRFNSCQUHNN-JKSUJKDBSA-N -1 3 376.250 3.378 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(Cl)c3)C2)s1 ZINC000570669372 567503952 /nfs/dbraw/zinc/50/39/52/567503952.db2.gz RUQZLZHADKLMIP-JSGCOSHPSA-N -1 3 399.925 3.370 20 0 GGADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(Br)c1 ZINC000529309428 567504500 /nfs/dbraw/zinc/50/45/00/567504500.db2.gz WIVBNIFAWPDVPS-CABCVRRESA-N -1 3 388.265 3.349 20 0 GGADHM O=C([N-]c1nncn1C1CC1)c1scc(Br)c1Br ZINC000529310209 567504693 /nfs/dbraw/zinc/50/46/93/567504693.db2.gz XDZVVOPXCOSWKA-UHFFFAOYSA-N -1 3 392.076 3.452 20 0 GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437673028 567504667 /nfs/dbraw/zinc/50/46/67/567504667.db2.gz JXHZAJNVZOGNLO-UHFFFAOYSA-N -1 3 379.912 3.223 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1Cc2ccc(F)cc21 ZINC000643325604 567505106 /nfs/dbraw/zinc/50/51/06/567505106.db2.gz HNAMQCBCVWHOML-SNVBAGLBSA-N -1 3 392.150 3.047 20 0 GGADHM O=S(=O)([N-]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1c[nH]cn1 ZINC000437696302 567505390 /nfs/dbraw/zinc/50/53/90/567505390.db2.gz FGJLCAKVLNGANJ-UHFFFAOYSA-N -1 3 388.396 3.031 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCOC1 ZINC000503765350 567505440 /nfs/dbraw/zinc/50/54/40/567505440.db2.gz NDUHFHSTGRFYBT-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000479129441 567505999 /nfs/dbraw/zinc/50/59/99/567505999.db2.gz QEQPEZFHJNPRRW-UHFFFAOYSA-N -1 3 379.825 3.112 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c1 ZINC000479130808 567506037 /nfs/dbraw/zinc/50/60/37/567506037.db2.gz KXLHIOYUOXRWPD-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(CC(F)(F)F)cc1 ZINC000479132827 567506273 /nfs/dbraw/zinc/50/62/73/567506273.db2.gz OHJFQBWDPQYPRS-UHFFFAOYSA-N -1 3 395.200 3.172 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000503824433 567508037 /nfs/dbraw/zinc/50/80/37/567508037.db2.gz IWHXBMFMRIEQOA-UHFFFAOYSA-N -1 3 392.290 3.455 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CSC ZINC000594753448 567508316 /nfs/dbraw/zinc/50/83/16/567508316.db2.gz JUMFNKUOHKUTMI-SNVBAGLBSA-N -1 3 382.345 3.268 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2)c1ccco1 ZINC000503843617 567508586 /nfs/dbraw/zinc/50/85/86/567508586.db2.gz GITXHUPMSDKCLX-XHDPSFHLSA-N -1 3 385.869 3.313 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1Br)c1ccco1 ZINC000503881844 567510855 /nfs/dbraw/zinc/51/08/55/567510855.db2.gz DJXKVWRBDWSKPL-CYBMUJFWSA-N -1 3 388.283 3.407 20 0 GGADHM CCN(CC(=O)N1CCCCCC1)C(=O)c1cc([O-])cc(Br)c1 ZINC000529380206 567511589 /nfs/dbraw/zinc/51/15/89/567511589.db2.gz MLIRYIQOQIKPIH-UHFFFAOYSA-N -1 3 383.286 3.019 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1Cl ZINC000479159336 567511708 /nfs/dbraw/zinc/51/17/08/567511708.db2.gz NZKBTVJKKVGLRO-UHFFFAOYSA-N -1 3 385.225 3.176 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)N2CCCC2)o1 ZINC000551498089 567511828 /nfs/dbraw/zinc/51/18/28/567511828.db2.gz NBSHPBZCWIHMCA-OAHLLOKOSA-N -1 3 386.876 3.496 20 0 GGADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000458005260 567512281 /nfs/dbraw/zinc/51/22/81/567512281.db2.gz NRHVKFAIYASJTQ-QMTHXVAHSA-N -1 3 378.416 3.241 20 0 GGADHM C[C@]1(CNC(=O)c2cc([O-])cc(Br)c2)OCCc2sccc21 ZINC000529401179 567512839 /nfs/dbraw/zinc/51/28/39/567512839.db2.gz FVBOFLMAUAQPHG-MRXNPFEDSA-N -1 3 382.279 3.434 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1cc(Cl)ccc1F ZINC000551516488 567513076 /nfs/dbraw/zinc/51/30/76/567513076.db2.gz JXCXEFISUWSORL-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000529405858 567513228 /nfs/dbraw/zinc/51/32/28/567513228.db2.gz XSSDPWGBCRGXIQ-INIZCTEOSA-N -1 3 387.277 3.432 20 0 GGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000551512786 567513431 /nfs/dbraw/zinc/51/34/31/567513431.db2.gz LBQPZDVSFOPWTJ-UHFFFAOYSA-N -1 3 377.890 3.382 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000620336859 567513835 /nfs/dbraw/zinc/51/38/35/567513835.db2.gz XISYMSRIQIJXSM-SNVBAGLBSA-N -1 3 395.893 3.255 20 0 GGADHM COCCOCc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000529412606 567514297 /nfs/dbraw/zinc/51/42/97/567514297.db2.gz VQTVKRNXMGPUCM-UHFFFAOYSA-N -1 3 394.265 3.248 20 0 GGADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000529416347 567514405 /nfs/dbraw/zinc/51/44/05/567514405.db2.gz CVQILYYYHVIGEH-VXGBXAGGSA-N -1 3 397.313 3.262 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)N1CCc2sccc2C1 ZINC000551518991 567514570 /nfs/dbraw/zinc/51/45/70/567514570.db2.gz RAODPZFHVZXJOB-NSHDSACASA-N -1 3 388.917 3.266 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000479214587 567515243 /nfs/dbraw/zinc/51/52/43/567515243.db2.gz VDXWOMPENUMFHR-ZDUSSCGKSA-N -1 3 389.807 3.201 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000529437738 567515704 /nfs/dbraw/zinc/51/57/04/567515704.db2.gz QPDQHTQTEQNUOB-GASCZTMLSA-N -1 3 387.277 3.363 20 0 GGADHM CSCC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000594815639 567516605 /nfs/dbraw/zinc/51/66/05/567516605.db2.gz FWYRWUWTCAQQNH-UHFFFAOYSA-N -1 3 382.320 3.400 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)c(Cl)c1Cl ZINC000479244131 567517185 /nfs/dbraw/zinc/51/71/85/567517185.db2.gz LCAFQDPRRUGBAK-VIFPVBQESA-N -1 3 398.308 3.401 20 0 GGADHM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)CC[C@@H](C)CC1 ZINC000594832552 567517572 /nfs/dbraw/zinc/51/75/72/567517572.db2.gz QTSXMUPDEKONTR-QASKLWRZSA-N -1 3 375.437 3.166 20 0 GGADHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1csc(-c2ccccc2)n1 ZINC000570845972 567517608 /nfs/dbraw/zinc/51/76/08/567517608.db2.gz AQLGRZROFQTPSN-INIZCTEOSA-N -1 3 382.507 3.022 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)cc1OC ZINC000503999472 567518436 /nfs/dbraw/zinc/51/84/36/567518436.db2.gz KBXSGPOVKNRYSK-UHFFFAOYSA-N -1 3 387.860 3.407 20 0 GGADHM 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ZINC000438236343 567523503 /nfs/dbraw/zinc/52/35/03/567523503.db2.gz PCGHCEIQHZZTHS-UHFFFAOYSA-N -1 3 383.311 3.354 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000458118687 567523551 /nfs/dbraw/zinc/52/35/51/567523551.db2.gz VEDDVPFTKGAPMR-RHSMWYFYSA-N -1 3 398.575 3.453 20 0 GGADHM CCC[C@@H](C)N(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438345291 567527006 /nfs/dbraw/zinc/52/70/06/567527006.db2.gz LZXUOIXMGNFNED-LLVKDONJSA-N -1 3 381.420 3.180 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000504265507 567528375 /nfs/dbraw/zinc/52/83/75/567528375.db2.gz OYPAKKVZFDLJPS-JTQLQIEISA-N -1 3 395.893 3.255 20 0 GGADHM CC(C)C(C)(C)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000438391060 567530267 /nfs/dbraw/zinc/53/02/67/567530267.db2.gz XEULRQZWJMKMMO-UHFFFAOYSA-N -1 3 395.352 3.460 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc(Br)ccc1[O-] ZINC000458207718 567532282 /nfs/dbraw/zinc/53/22/82/567532282.db2.gz WGKGZOPGVSJADF-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM CN1C[C@H](CNC(=O)Cc2ccc(Br)cc2[O-])Cc2ccccc21 ZINC000504382496 567532420 /nfs/dbraw/zinc/53/24/20/567532420.db2.gz URKFRUJFOOADQH-ZDUSSCGKSA-N -1 3 389.293 3.122 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000479413722 567532842 /nfs/dbraw/zinc/53/28/42/567532842.db2.gz VQRGTVYBEPZSLQ-BXUZGUMPSA-N -1 3 394.306 3.460 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)nnn1-c1ccccc1Cl ZINC000504388390 567533032 /nfs/dbraw/zinc/53/30/32/567533032.db2.gz PWHCXWVFDPRGNY-UHFFFAOYSA-N -1 3 388.762 3.352 20 0 GGADHM CCSc1nnc([N-]C(=O)c2nnn(-c3ccccc3Cl)c2C)s1 ZINC000504414390 567534366 /nfs/dbraw/zinc/53/43/66/567534366.db2.gz CPEMTYJCNDJJKF-UHFFFAOYSA-N -1 3 380.886 3.445 20 0 GGADHM O=c1[n-]c(-c2cccc(-n3cccn3)n2)nc2cc(Br)c(F)cc12 ZINC000504466897 567536038 /nfs/dbraw/zinc/53/60/38/567536038.db2.gz GOGRGFGUZLPSEJ-UHFFFAOYSA-N -1 3 386.184 3.485 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000571106333 567537774 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C[C@@H]1CC(CC[N-]S(=O)(=O)c2cccc(Br)c2F)C[C@@H](C)O1 ZINC000571181693 567543375 /nfs/dbraw/zinc/54/33/75/567543375.db2.gz VSQWKKJLAULUND-GHMZBOCLSA-N -1 3 394.306 3.460 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)c1nc(C)cs1 ZINC000571181505 567543603 /nfs/dbraw/zinc/54/36/03/567543603.db2.gz UTKRGKDDIQXFMZ-CYBMUJFWSA-N -1 3 378.479 3.295 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000644273936 567545578 /nfs/dbraw/zinc/54/55/78/567545578.db2.gz FCVLSOHZNLXHKM-UFBFGSQYSA-N -1 3 389.848 3.186 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000438780444 567545606 /nfs/dbraw/zinc/54/56/06/567545606.db2.gz XQVCIJQXWHDVMQ-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2C)cc1OC ZINC000438803538 567546121 /nfs/dbraw/zinc/54/61/21/567546121.db2.gz UAGVUMIAICZKTE-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1 ZINC000438792407 567546184 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3.318 20 0 GGADHM Cc1ccc([O-])c(NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)n1 ZINC000438885309 567552436 /nfs/dbraw/zinc/55/24/36/567552436.db2.gz ULJXPGIUYZAWRC-UHFFFAOYSA-N -1 3 375.222 3.098 20 0 GGADHM CO[C@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000458547029 567552717 /nfs/dbraw/zinc/55/27/17/567552717.db2.gz HZLXCUVSAICCRG-GJZGRUSLSA-N -1 3 383.286 3.254 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H](CO)C1CCCCC1 ZINC000458548299 567553290 /nfs/dbraw/zinc/55/32/90/567553290.db2.gz IZFHSEOHRWHSNF-AWEZNQCLSA-N -1 3 385.302 3.143 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000552069246 567554323 /nfs/dbraw/zinc/55/43/23/567554323.db2.gz KQZLFSNLHOGWDF-UHFFFAOYSA-N -1 3 375.201 3.411 20 0 GGADHM CC(C)[C@H](CO)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000458558476 567554305 /nfs/dbraw/zinc/55/43/05/567554305.db2.gz UKIMEBOTAIBITQ-BBRMVZONSA-N -1 3 387.318 3.243 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000571342282 567554417 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CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000505072271 567557042 /nfs/dbraw/zinc/55/70/42/567557042.db2.gz UPFZOWLPTNXZBU-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000505072271 567557044 /nfs/dbraw/zinc/55/70/44/567557044.db2.gz UPFZOWLPTNXZBU-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cn1C ZINC000438952672 567557068 /nfs/dbraw/zinc/55/70/68/567557068.db2.gz YKNXGHBYLBSNFL-HNNXBMFYSA-N -1 3 375.416 3.423 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(SCC)CC1 ZINC000595353165 567557786 /nfs/dbraw/zinc/55/77/86/567557786.db2.gz NETVLBNWRRHHPV-UHFFFAOYSA-N -1 3 394.356 3.412 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000571373766 567558122 /nfs/dbraw/zinc/55/81/22/567558122.db2.gz ZQCHDPLFQUQEDQ-SCVCMEIPSA-N -1 3 376.400 3.452 20 0 GGADHM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc([O-])ccc1Cl ZINC000571367807 567558195 /nfs/dbraw/zinc/55/81/95/567558195.db2.gz IBTAKRCGWRAULB-UHFFFAOYSA-N -1 3 376.865 3.487 20 0 GGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505096494 567558527 /nfs/dbraw/zinc/55/85/27/567558527.db2.gz NJRADMYXJHRVKG-UHFFFAOYSA-N -1 3 376.804 3.465 20 0 GGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505096494 567558531 /nfs/dbraw/zinc/55/85/31/567558531.db2.gz NJRADMYXJHRVKG-UHFFFAOYSA-N -1 3 376.804 3.465 20 0 GGADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505096494 567558536 /nfs/dbraw/zinc/55/85/36/567558536.db2.gz NJRADMYXJHRVKG-UHFFFAOYSA-N -1 3 376.804 3.465 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000479777157 567558716 /nfs/dbraw/zinc/55/87/16/567558716.db2.gz NRXFVNLLRYABKJ-ZDUSSCGKSA-N -1 3 378.270 3.346 20 0 GGADHM CC(C)[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC12CCCC2 ZINC000571401713 567559366 /nfs/dbraw/zinc/55/93/66/567559366.db2.gz XOEIFWNOJYVDDB-HNNXBMFYSA-N -1 3 390.958 3.107 20 0 GGADHM Cc1cc2cc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)ccc2[nH]1 ZINC000505128927 567561256 /nfs/dbraw/zinc/56/12/56/567561256.db2.gz LSKAGCYANZLWAJ-UHFFFAOYSA-N -1 3 383.882 3.108 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1c1ccccc1 ZINC000505126479 567561571 /nfs/dbraw/zinc/56/15/71/567561571.db2.gz YWRWHQLKHYRRES-ZDUSSCGKSA-N -1 3 384.910 3.044 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc(F)cc2nn[n-]c21 ZINC000505133164 567561696 /nfs/dbraw/zinc/56/16/96/567561696.db2.gz HLGOVVWLUKOJSY-GXFFZTMASA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc(F)cc2[n-]nnc21 ZINC000505133164 567561704 /nfs/dbraw/zinc/56/17/04/567561704.db2.gz HLGOVVWLUKOJSY-GXFFZTMASA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc(F)cc2n[n-]nc21 ZINC000505133164 567561713 /nfs/dbraw/zinc/56/17/13/567561713.db2.gz HLGOVVWLUKOJSY-GXFFZTMASA-N -1 3 375.201 3.145 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2nc3c(cccc3Br)s2)c[n-]1 ZINC000552128845 567562278 /nfs/dbraw/zinc/56/22/78/567562278.db2.gz XOXNLQWNXAIBHW-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000505148837 567562638 /nfs/dbraw/zinc/56/26/38/567562638.db2.gz MYZXXNLQWMNYIY-QWHCGFSZSA-N -1 3 398.575 3.404 20 0 GGADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000439061178 567563516 /nfs/dbraw/zinc/56/35/16/567563516.db2.gz RNSZIMVJYSYXJK-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2cccc(Cl)c2Br)C[C@@H](C)O1 ZINC000571472982 567565396 /nfs/dbraw/zinc/56/53/96/567565396.db2.gz YVHLLWOUBQGUGE-RKDXNWHRSA-N -1 3 382.707 3.337 20 0 GGADHM CCCCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@@H](C)c1ccc(C)o1 ZINC000621239896 567567804 /nfs/dbraw/zinc/56/78/04/567567804.db2.gz HUTXSCWUMIXQSU-AWEZNQCLSA-N -1 3 384.523 3.318 20 0 GGADHM CCSc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)c1 ZINC000505280915 567568329 /nfs/dbraw/zinc/56/83/29/567568329.db2.gz LRUWFOKSRHQDEN-UHFFFAOYSA-N -1 3 381.475 3.151 20 0 GGADHM COC(=O)c1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000595527365 567569860 /nfs/dbraw/zinc/56/98/60/567569860.db2.gz ORODDPLLQUJUDV-UHFFFAOYSA-N -1 3 394.269 3.065 20 0 GGADHM COc1ccc2c(c1)CCN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000664471598 567570523 /nfs/dbraw/zinc/57/05/23/567570523.db2.gz RQMKLSNRXKYXAF-UHFFFAOYSA-N -1 3 391.265 3.431 20 0 GGADHM C[C@H](c1ccccc1)[C@H](O)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000664471099 567570809 /nfs/dbraw/zinc/57/08/09/567570809.db2.gz NHECFEOENMXZJZ-SJKOYZFVSA-N -1 3 393.281 3.119 20 0 GGADHM O=S(=O)([N-][C@@H](Cc1nnc[nH]1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000439193343 567570825 /nfs/dbraw/zinc/57/08/25/567570825.db2.gz RKANCEZEMONOPH-AWEZNQCLSA-N -1 3 397.287 3.374 20 0 GGADHM CC1(C)CCC(O)(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000664471691 567570918 /nfs/dbraw/zinc/57/09/18/567570918.db2.gz UWRRMGRPYGOTJV-UHFFFAOYSA-N -1 3 385.302 3.285 20 0 GGADHM O=S(=O)([N-]Cc1ccnc2ccnn21)c1cc2cc(Cl)ccc2s1 ZINC000479959491 567571508 /nfs/dbraw/zinc/57/15/08/567571508.db2.gz JTNGSSLMTSVTFU-UHFFFAOYSA-N -1 3 378.866 3.076 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2csc3c2CC[C@@H](C)C3)ccc1F ZINC000552262706 567571949 /nfs/dbraw/zinc/57/19/49/567571949.db2.gz LYXKVAXWYHKTIQ-SNVBAGLBSA-N -1 3 382.482 3.172 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c(Br)c1 ZINC000530135159 567572079 /nfs/dbraw/zinc/57/20/79/567572079.db2.gz XZSHMFAOPSVMDB-UHFFFAOYSA-N -1 3 398.204 3.311 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)sc1C ZINC000439229971 567573112 /nfs/dbraw/zinc/57/31/12/567573112.db2.gz PUPSMHQUHWQSCM-UHFFFAOYSA-N -1 3 396.925 3.386 20 0 GGADHM CC(=O)c1cccc(NC(=O)c2cc3c(c(Br)c2)OCO3)c1[O-] ZINC000552288290 567573538 /nfs/dbraw/zinc/57/35/38/567573538.db2.gz MPKHTQVQVMATOZ-UHFFFAOYSA-N -1 3 378.178 3.338 20 0 GGADHM C[C@@H]1CCC[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000552295007 567574350 /nfs/dbraw/zinc/57/43/50/567574350.db2.gz OGEMRXNEKOEUEU-NEPJUHHUSA-N -1 3 393.336 3.214 20 0 GGADHM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]CCCC(F)(F)F)cn1 ZINC000439234950 567574452 /nfs/dbraw/zinc/57/44/52/567574452.db2.gz JRWCWJZESKAAAL-UHFFFAOYSA-N -1 3 397.806 3.155 20 0 GGADHM CCCN(Cc1ccccc1Br)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000621297812 567574985 /nfs/dbraw/zinc/57/49/85/567574985.db2.gz SLMBBQOOOKPDAZ-UHFFFAOYSA-N -1 3 390.285 3.244 20 0 GGADHM CCC[C@H](C)CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552301176 567574957 /nfs/dbraw/zinc/57/49/57/567574957.db2.gz PWNAJBJXFNAHNM-NSHDSACASA-N -1 3 381.325 3.214 20 0 GGADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)n1C ZINC000439252278 567576237 /nfs/dbraw/zinc/57/62/37/567576237.db2.gz YEWLMCXWKJFKAC-UHFFFAOYSA-N -1 3 378.205 3.273 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(OC)ccc1Br ZINC000505449043 567576494 /nfs/dbraw/zinc/57/64/94/567576494.db2.gz JGEDIHHZNYJCKL-UHFFFAOYSA-N -1 3 399.266 3.341 20 0 GGADHM CC1(C)CN(C2(CN=c3[n-]nc(C(F)(F)F)s3)CCCCC2)CCO1 ZINC000480035347 567577289 /nfs/dbraw/zinc/57/72/89/567577289.db2.gz JBMKZDNQDNVWFG-UHFFFAOYSA-N -1 3 378.464 3.204 20 0 GGADHM Cn1ncc2c1nc(CN1CC[C@H](Sc3cccc(Cl)c3)C1)[n-]c2=O ZINC000644786117 567578620 /nfs/dbraw/zinc/57/86/20/567578620.db2.gz XJKQZLLOIAEDOR-ZDUSSCGKSA-N -1 3 375.885 3.089 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1cc(Cl)ccc1OC(F)F ZINC000571666175 567579306 /nfs/dbraw/zinc/57/93/06/567579306.db2.gz BKVDIUOKVFBKRU-UHFFFAOYSA-N -1 3 378.784 3.285 20 0 GGADHM CCCCN1CCC([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000571663778 567579776 /nfs/dbraw/zinc/57/97/76/567579776.db2.gz AGEBPLTWQWIJDJ-UHFFFAOYSA-N -1 3 393.322 3.131 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000439303394 567580161 /nfs/dbraw/zinc/58/01/61/567580161.db2.gz LHCLFDDNVYUOCJ-UHFFFAOYSA-N -1 3 384.866 3.487 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(F)cc2Cl)ccc1F ZINC000552350428 567580604 /nfs/dbraw/zinc/58/06/04/567580604.db2.gz CFNADIJQDDSUJT-UHFFFAOYSA-N -1 3 395.214 3.432 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000571677088 567580809 /nfs/dbraw/zinc/58/08/09/567580809.db2.gz KAHMUPRRELRBAP-BJOHPYRUSA-N -1 3 386.242 3.389 20 0 GGADHM COc1cc([N-]C(=O)c2cc(-c3cccs3)on2)cc(S(C)(=O)=O)c1 ZINC000552357996 567581769 /nfs/dbraw/zinc/58/17/69/567581769.db2.gz CKTMSYHTJOWEOY-UHFFFAOYSA-N -1 3 378.431 3.068 20 0 GGADHM Cc1cnn(C[C@@H](NCc2csc3c2cccc3Br)C(=O)[O-])c1 ZINC000571701549 567582649 /nfs/dbraw/zinc/58/26/49/567582649.db2.gz PAKVHAFWYMFOHM-CQSZACIVSA-N -1 3 394.294 3.412 20 0 GGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000480162208 567583252 /nfs/dbraw/zinc/58/32/52/567583252.db2.gz PYPUKYGXNMOCDT-UHFFFAOYSA-N -1 3 386.260 3.081 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)ccc1F ZINC000571707153 567583396 /nfs/dbraw/zinc/58/33/96/567583396.db2.gz QVXIAIPEPODDSF-QFIPXVFZSA-N -1 3 375.874 3.467 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)ccc1F ZINC000571707152 567583732 /nfs/dbraw/zinc/58/37/32/567583732.db2.gz QVXIAIPEPODDSF-JOCHJYFZSA-N -1 3 375.874 3.467 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)c(F)cc2N1 ZINC000480166679 567584358 /nfs/dbraw/zinc/58/43/58/567584358.db2.gz XNTJIMDBFYINKJ-UHFFFAOYSA-N -1 3 390.223 3.213 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000552387739 567585608 /nfs/dbraw/zinc/58/56/08/567585608.db2.gz XIYXEOYFRQKDIE-CYBMUJFWSA-N -1 3 384.657 3.200 20 0 GGADHM Cc1sc([N-]C(=O)c2sccc2S(N)(=O)=O)nc1-c1ccccc1 ZINC000664725273 567585639 /nfs/dbraw/zinc/58/56/39/567585639.db2.gz QXDZWLTWUUBLHV-UHFFFAOYSA-N -1 3 379.488 3.080 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cnc1OCC1CC1 ZINC000552388645 567585811 /nfs/dbraw/zinc/58/58/11/567585811.db2.gz MHJRXEJFWGZHAZ-UHFFFAOYSA-N -1 3 395.228 3.408 20 0 GGADHM O=S(=O)(CCCCF)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000644871347 567586910 /nfs/dbraw/zinc/58/69/10/567586910.db2.gz GAXZALGKCMEQBT-UHFFFAOYSA-N -1 3 396.175 3.175 20 0 GGADHM O=S(=O)([N-]C1CC1)c1cc(NCc2ccc(Br)o2)ccc1F ZINC000571778120 567587962 /nfs/dbraw/zinc/58/79/62/567587962.db2.gz TYHXBAYMELYGTP-UHFFFAOYSA-N -1 3 389.246 3.234 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)CCCSC)nc(=O)c2c1C ZINC000439483413 567588547 /nfs/dbraw/zinc/58/85/47/567588547.db2.gz JDUOUAOQTQGFGH-LLVKDONJSA-N -1 3 383.539 3.216 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000571798710 567589276 /nfs/dbraw/zinc/58/92/76/567589276.db2.gz TWWSFKXFQOSDSG-MISXGVKJSA-N -1 3 388.917 3.410 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000571798711 567589460 /nfs/dbraw/zinc/58/94/60/567589460.db2.gz TWWSFKXFQOSDSG-UHIISALHSA-N -1 3 388.917 3.410 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000571798708 567589469 /nfs/dbraw/zinc/58/94/69/567589469.db2.gz TWWSFKXFQOSDSG-COPLHBTASA-N -1 3 388.917 3.410 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Br)c(F)c1 ZINC000480225881 567590376 /nfs/dbraw/zinc/59/03/76/567590376.db2.gz NFXYDQLMASGLFK-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)c(=O)[nH]1 ZINC000480233336 567590509 /nfs/dbraw/zinc/59/05/09/567590509.db2.gz UMCJGHXENLWQPN-UHFFFAOYSA-N -1 3 375.219 3.106 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2cccs2)cc(Cl)c1F ZINC000571847516 567594082 /nfs/dbraw/zinc/59/40/82/567594082.db2.gz CLRWUGVTCQCTSV-UHFFFAOYSA-N -1 3 377.846 3.312 20 0 GGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439578704 567594334 /nfs/dbraw/zinc/59/43/34/567594334.db2.gz GRDCYCGIYZAQDZ-UHFFFAOYSA-N -1 3 395.893 3.452 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000505753947 567594739 /nfs/dbraw/zinc/59/47/39/567594739.db2.gz ATIKPYWTUFPCKM-PEBVRCNWSA-N -1 3 398.937 3.120 20 0 GGADHM Fc1cc2nc(NCc3nnc(C(F)(F)F)[n-]3)ccc2cc1Br ZINC000480290070 567594814 /nfs/dbraw/zinc/59/48/14/567594814.db2.gz GWHDNWYQZQYEQJ-UHFFFAOYSA-N -1 3 390.138 3.307 20 0 GGADHM Fc1cc2nc(NCc3n[n-]c(C(F)(F)F)n3)ccc2cc1Br ZINC000480290070 567594820 /nfs/dbraw/zinc/59/48/20/567594820.db2.gz GWHDNWYQZQYEQJ-UHFFFAOYSA-N -1 3 390.138 3.307 20 0 GGADHM Fc1cc2nc(NCc3nc(C(F)(F)F)n[n-]3)ccc2cc1Br ZINC000480290070 567594824 /nfs/dbraw/zinc/59/48/24/567594824.db2.gz GWHDNWYQZQYEQJ-UHFFFAOYSA-N -1 3 390.138 3.307 20 0 GGADHM C[C@H]1C[C@]1(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000505744175 567594928 /nfs/dbraw/zinc/59/49/28/567594928.db2.gz OUMQNKNJBQSGCF-KPZWWZAWSA-N -1 3 378.881 3.377 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1cc(Cl)ccc1OC(F)F ZINC000571871352 567595133 /nfs/dbraw/zinc/59/51/33/567595133.db2.gz KADGMTXMCBYPOT-UHFFFAOYSA-N -1 3 389.807 3.355 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)CC1 ZINC000571861719 567595774 /nfs/dbraw/zinc/59/57/74/567595774.db2.gz QIBZMECEIVTSEU-UHFFFAOYSA-N -1 3 396.690 3.330 20 0 GGADHM CC[C@@H](C)N(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000664880878 567596849 /nfs/dbraw/zinc/59/68/49/567596849.db2.gz VFDZMLGFZIPBGB-LLVKDONJSA-N -1 3 396.340 3.102 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000439651056 567597325 /nfs/dbraw/zinc/59/73/25/567597325.db2.gz RGXBISBXXOXXOI-RISCZKNCSA-N -1 3 380.432 3.084 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480340570 567597430 /nfs/dbraw/zinc/59/74/30/567597430.db2.gz YFOXVQXEOQFMSO-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480340570 567597435 /nfs/dbraw/zinc/59/74/35/567597435.db2.gz YFOXVQXEOQFMSO-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480340570 567597437 /nfs/dbraw/zinc/59/74/37/567597437.db2.gz YFOXVQXEOQFMSO-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nnc(-c3ccc(F)cc3)[nH]2)sc1Cl ZINC000530385450 567598552 /nfs/dbraw/zinc/59/85/52/567598552.db2.gz DMGLARBUKYCDHL-UHFFFAOYSA-N -1 3 386.861 3.113 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc3cc(F)ccc3s2)ccc1F ZINC000552604984 567598930 /nfs/dbraw/zinc/59/89/30/567598930.db2.gz HYDAABZNWRMNJM-UHFFFAOYSA-N -1 3 382.413 3.340 20 0 GGADHM CSCC[C@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596020311 567598992 /nfs/dbraw/zinc/59/89/92/567598992.db2.gz IDADBGXFMANGJH-NSHDSACASA-N -1 3 399.681 3.241 20 0 GGADHM C[C@@H](C(=O)[O-])C1(NCc2cc(Cl)ccc2I)CC1 ZINC000596020713 567599250 /nfs/dbraw/zinc/59/92/50/567599250.db2.gz JHYYOVCXVAOFME-QMMMGPOBSA-N -1 3 379.625 3.288 20 0 GGADHM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000480386084 567599451 /nfs/dbraw/zinc/59/94/51/567599451.db2.gz JEPJBLGXDCBEJL-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CC(C)[C@@H](CNCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596022927 567599528 /nfs/dbraw/zinc/59/95/28/567599528.db2.gz ZOPPILSAZPFGRE-LLVKDONJSA-N -1 3 381.641 3.391 20 0 GGADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000530422387 567600010 /nfs/dbraw/zinc/60/00/10/567600010.db2.gz RKMSOHMGSHNUOQ-IUCAKERBSA-N -1 3 395.232 3.317 20 0 GGADHM CCn1cnnc1[N-]C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000552667793 567600626 /nfs/dbraw/zinc/60/06/26/567600626.db2.gz JZOLSGGSBMZDFN-UHFFFAOYSA-N -1 3 380.177 3.107 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C)CCC(OC)CC1 ZINC000480396902 567601336 /nfs/dbraw/zinc/60/13/36/567601336.db2.gz VQSJNBANPGJZBN-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000480415304 567602895 /nfs/dbraw/zinc/60/28/95/567602895.db2.gz XGHUXSUMDDYRBQ-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)c(F)cc1F ZINC000645093408 567603892 /nfs/dbraw/zinc/60/38/92/567603892.db2.gz YSWXLXXDXFVPRQ-UHFFFAOYSA-N -1 3 380.338 3.208 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000645076347 567604075 /nfs/dbraw/zinc/60/40/75/567604075.db2.gz BROOVZDMAVOQBE-HNNXBMFYSA-N -1 3 377.359 3.055 20 0 GGADHM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000645079074 567604287 /nfs/dbraw/zinc/60/42/87/567604287.db2.gz LCFKANBHRFTDKW-JTQLQIEISA-N -1 3 383.407 3.258 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000645082602 567604593 /nfs/dbraw/zinc/60/45/93/567604593.db2.gz FVZLLBUIGOEXNE-ZDUSSCGKSA-N -1 3 375.343 3.456 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(Br)c2)c[nH]1 ZINC000645094333 567604605 /nfs/dbraw/zinc/60/46/05/567604605.db2.gz HWPHGFULJNITEB-SECBINFHSA-N -1 3 390.278 3.474 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCc2ccc(Cl)cc21 ZINC000505971572 567605473 /nfs/dbraw/zinc/60/54/73/567605473.db2.gz TVNIHMUVGVQLRI-UHFFFAOYSA-N -1 3 378.837 3.024 20 0 GGADHM O=C(NCc1ccc(I)c(Cl)c1)c1csc(=O)[n-]1 ZINC000506372766 567623950 /nfs/dbraw/zinc/62/39/50/567623950.db2.gz RKPUXJLQDKRABB-UHFFFAOYSA-N -1 3 394.621 3.037 20 0 GGADHM O=S(=O)([N-][C@@H]1CCSC1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000530480563 567605520 /nfs/dbraw/zinc/60/55/20/567605520.db2.gz RBQYHDRBDBOBMS-ZIAGYGMSSA-N -1 3 391.942 3.072 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(Br)c2)nc1C ZINC000645094348 567605535 /nfs/dbraw/zinc/60/55/35/567605535.db2.gz IEMJPZWJQGPWQX-VIFPVBQESA-N -1 3 390.278 3.153 20 0 GGADHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000480445613 567606175 /nfs/dbraw/zinc/60/61/75/567606175.db2.gz JPUQYGIJMAPZCL-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM COc1cc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)ccc1[O-] ZINC000480447573 567606213 /nfs/dbraw/zinc/60/62/13/567606213.db2.gz KRZFODJCUCNECA-DOTOQJQBSA-N -1 3 382.243 3.438 20 0 GGADHM C[C@H]1Cc2cc(C(=O)Nc3c([O-])cccc3Cl)ccc2N1S(C)(=O)=O ZINC000552780796 567607888 /nfs/dbraw/zinc/60/78/88/567607888.db2.gz PPIDKSDHBYNZTR-JTQLQIEISA-N -1 3 380.853 3.009 20 0 GGADHM CCO[C@@H]1C[C@@](O)(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1(C)C ZINC000530510344 567608472 /nfs/dbraw/zinc/60/84/72/567608472.db2.gz UDRHWFSTWPGZEU-SJKOYZFVSA-N -1 3 383.901 3.088 20 0 GGADHM Cc1cc(C(=O)N2CCC(c3ccccc3Br)CC2)[n-]c(=O)n1 ZINC000439983103 567609571 /nfs/dbraw/zinc/60/95/71/567609571.db2.gz YDWNLBZPYDPVLP-UHFFFAOYSA-N -1 3 376.254 3.273 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1c(F)cccc1OC(F)F ZINC000530538912 567610278 /nfs/dbraw/zinc/61/02/78/567610278.db2.gz NNPNDNHBGZJMGQ-UHFFFAOYSA-N -1 3 381.322 3.325 20 0 GGADHM [O-]c1cccc(CNC[C@@H](O)COc2ccccc2Br)c1Cl ZINC000645163855 567610414 /nfs/dbraw/zinc/61/04/14/567610414.db2.gz DUUUCTQGPLCOIP-GFCCVEGCSA-N -1 3 386.673 3.338 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000530533381 567610551 /nfs/dbraw/zinc/61/05/51/567610551.db2.gz FQDRCZRVXIONLD-GXFFZTMASA-N -1 3 389.246 3.027 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c(Cl)cncc1Cl ZINC000506113236 567610991 /nfs/dbraw/zinc/61/09/91/567610991.db2.gz QODKURCGAUQKQU-UHFFFAOYSA-N -1 3 386.036 3.473 20 0 GGADHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc([O-])c1Br ZINC000459280579 567611096 /nfs/dbraw/zinc/61/10/96/567611096.db2.gz NQPOSZDJUQPKHO-OAHLLOKOSA-N -1 3 376.250 3.255 20 0 GGADHM Cc1cccc(C)c1OC[C@H](O)CNCc1ccc([O-])c(Br)c1 ZINC000552829223 567612316 /nfs/dbraw/zinc/61/23/16/567612316.db2.gz HIXYPGIFYOUMSU-OAHLLOKOSA-N -1 3 380.282 3.301 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)Nc2ncccc2[O-])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000480577808 567612350 /nfs/dbraw/zinc/61/23/50/567612350.db2.gz MUOJCRQFVSQIKT-MEBBXXQBSA-N -1 3 380.231 3.252 20 0 GGADHM CCOc1cc(CN2CCN(C(=O)c3cccs3)CC2)cc(Cl)c1[O-] ZINC000459294833 567613037 /nfs/dbraw/zinc/61/30/37/567613037.db2.gz DALIAVQUBWNINU-UHFFFAOYSA-N -1 3 380.897 3.464 20 0 GGADHM C[C@@H](c1ccc(Br)cc1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000572100605 567613300 /nfs/dbraw/zinc/61/33/00/567613300.db2.gz PCKNQFTYGUHMHU-JTQLQIEISA-N -1 3 397.294 3.498 20 0 GGADHM O=C(c1ccc(F)cc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459304749 567613756 /nfs/dbraw/zinc/61/37/56/567613756.db2.gz GWKOWACLJWWRNO-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cc(Br)ccc1F ZINC000480586116 567613764 /nfs/dbraw/zinc/61/37/64/567613764.db2.gz IMNFJIXJWFKZLW-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cc(Br)ccc1F ZINC000480586116 567613766 /nfs/dbraw/zinc/61/37/66/567613766.db2.gz IMNFJIXJWFKZLW-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(Br)ccc1F ZINC000480586116 567613767 /nfs/dbraw/zinc/61/37/67/567613767.db2.gz IMNFJIXJWFKZLW-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM CCc1nc(CN2CCN(Cc3cccc([O-])c3Br)CC2)cs1 ZINC000459333220 567614669 /nfs/dbraw/zinc/61/46/69/567614669.db2.gz ZXYNKLSFQAHPNJ-UHFFFAOYSA-N -1 3 396.354 3.491 20 0 GGADHM [O-]c1cccc(CN2CCN(Cc3cccc(O)c3)CC2)c1Br ZINC000459318287 567614716 /nfs/dbraw/zinc/61/47/16/567614716.db2.gz CFVGVGHKAIIMBB-UHFFFAOYSA-N -1 3 377.282 3.178 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1F ZINC000506201580 567615063 /nfs/dbraw/zinc/61/50/63/567615063.db2.gz COIHIOALWYOGMX-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM C[C@@H]1CN(C[C@H]2CCCN2Cc2cccc([O-])c2Br)C[C@H](C)O1 ZINC000459320135 567615361 /nfs/dbraw/zinc/61/53/61/567615361.db2.gz FAJRBSDCLGIIFC-IJEWVQPXSA-N -1 3 383.330 3.228 20 0 GGADHM O=C(Cc1ccccc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459314975 567615418 /nfs/dbraw/zinc/61/54/18/567615418.db2.gz RDVDOCPZGIWYEK-UHFFFAOYSA-N -1 3 389.293 3.042 20 0 GGADHM C[C@](CO)(CNC(=O)Cc1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000506219237 567615611 /nfs/dbraw/zinc/61/56/11/567615611.db2.gz KWHYOUYCYWDAPM-LJQANCHMSA-N -1 3 392.293 3.055 20 0 GGADHM C[C@H](c1cccnc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459340220 567616280 /nfs/dbraw/zinc/61/62/80/567616280.db2.gz FFXUUAFCCUBXNY-CQSZACIVSA-N -1 3 376.298 3.429 20 0 GGADHM O=C(COc1ccc(I)cc1)Nc1cc(F)ccc1[O-] ZINC000530656860 567616722 /nfs/dbraw/zinc/61/67/22/567616722.db2.gz PLHJRQIKMQWKCP-UHFFFAOYSA-N -1 3 387.148 3.153 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1ccc(Br)cc1F ZINC000572157048 567617381 /nfs/dbraw/zinc/61/73/81/567617381.db2.gz ZNWUBPGWCJCVEC-JTQLQIEISA-N -1 3 386.242 3.043 20 0 GGADHM CCOc1cc(CN2CCN(c3nc(CC)ns3)CC2)cc(Cl)c1[O-] ZINC000459370222 567618330 /nfs/dbraw/zinc/61/83/30/567618330.db2.gz ICOKTSPYHGWKDF-UHFFFAOYSA-N -1 3 382.917 3.180 20 0 GGADHM COc1ccc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)c(Br)c1OC ZINC000572168638 567618402 /nfs/dbraw/zinc/61/84/02/567618402.db2.gz GCLXFYQYVHCJDZ-QGZVFWFLSA-N -1 3 386.286 3.399 20 0 GGADHM CCc1nsc(N2CCCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459364912 567619100 /nfs/dbraw/zinc/61/91/00/567619100.db2.gz WSPHGOMGLVJYKN-UHFFFAOYSA-N -1 3 397.342 3.281 20 0 GGADHM O=C(c1ccco1)N1CCC(NCc2cccc([O-])c2Br)CC1 ZINC000459363796 567619112 /nfs/dbraw/zinc/61/91/12/567619112.db2.gz JHNAIOKHJVAUPS-UHFFFAOYSA-N -1 3 379.254 3.142 20 0 GGADHM Cc1c(C(=O)N=c2cc3ccccn3[n-]2)cnn1-c1ccc(Br)cc1 ZINC000552986042 567619214 /nfs/dbraw/zinc/61/92/14/567619214.db2.gz GTOAIPOFDUAWFI-UHFFFAOYSA-N -1 3 396.248 3.265 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)c[n-]c1=O ZINC000621884341 567619209 /nfs/dbraw/zinc/61/92/09/567619209.db2.gz KGEOSGIJFZDAFI-UHFFFAOYSA-N -1 3 383.217 3.230 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000552963831 567619280 /nfs/dbraw/zinc/61/92/80/567619280.db2.gz YBCURYJRQAGQHI-ZDUSSCGKSA-N -1 3 379.787 3.423 20 0 GGADHM Cn1cc(Br)cc(NC(=O)c2ccc3nc(C(F)F)[n-]c3c2)c1=O ZINC000530715977 567619444 /nfs/dbraw/zinc/61/94/44/567619444.db2.gz MERAQQZUGBIZSP-UHFFFAOYSA-N -1 3 397.179 3.214 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1ccc(F)cc1Cl ZINC000506265123 567619799 /nfs/dbraw/zinc/61/97/99/567619799.db2.gz VGCBSJLRZVHUJQ-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM C[C@@H]1CC2(CN1C(=O)NCc1ccc([O-])c(Br)c1)CCOCC2 ZINC000645373801 567620733 /nfs/dbraw/zinc/62/07/33/567620733.db2.gz SMCFVSMFSFKZGU-GFCCVEGCSA-N -1 3 383.286 3.255 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)s1 ZINC000480693944 567620917 /nfs/dbraw/zinc/62/09/17/567620917.db2.gz DYOPMQFXMLATAL-UHFFFAOYSA-N -1 3 393.456 3.419 20 0 GGADHM CCOc1cc(CN[C@@H](C)C(=O)N2CCCCC2)cc(Br)c1[O-] ZINC000459406565 567621614 /nfs/dbraw/zinc/62/16/14/567621614.db2.gz UKCGHWMFLXOUNT-LBPRGKRZSA-N -1 3 385.302 3.044 20 0 GGADHM C[C@](O)(C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC1 ZINC000553060082 567623232 /nfs/dbraw/zinc/62/32/32/567623232.db2.gz XFRNJFKFPSOCCH-OAHLLOKOSA-N -1 3 384.661 3.014 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)s1 ZINC000480718080 567623996 /nfs/dbraw/zinc/62/39/96/567623996.db2.gz NLJPKCQUFZWIBF-ZETCQYMHSA-N -1 3 394.291 3.096 20 0 GGADHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1nc2ccsc2s1 ZINC000480710540 567623999 /nfs/dbraw/zinc/62/39/99/567623999.db2.gz DVIQFQKHUGIJJH-UHFFFAOYSA-N -1 3 376.463 3.005 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)s1 ZINC000480735415 567624956 /nfs/dbraw/zinc/62/49/56/567624956.db2.gz FLQDQPOCJDWBRX-VIFPVBQESA-N -1 3 398.344 3.218 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCSc1ccccc1Br ZINC000440367121 567624380 /nfs/dbraw/zinc/62/43/80/567624380.db2.gz UYJVUMIUDZKNHT-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM O=C(CC(F)(F)F)N1CCC(NCc2cccc([O-])c2Br)CC1 ZINC000459421232 567624584 /nfs/dbraw/zinc/62/45/84/567624584.db2.gz DMTHWDQXBIQAHL-UHFFFAOYSA-N -1 3 395.219 3.188 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cccs1 ZINC000530826231 567624665 /nfs/dbraw/zinc/62/46/65/567624665.db2.gz QYLQGGGAFLVFDE-ZDUSSCGKSA-N -1 3 395.897 3.107 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccs1 ZINC000530826231 567624667 /nfs/dbraw/zinc/62/46/67/567624667.db2.gz QYLQGGGAFLVFDE-ZDUSSCGKSA-N -1 3 395.897 3.107 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)s1 ZINC000480728732 567624926 /nfs/dbraw/zinc/62/49/26/567624926.db2.gz GRTBEPQLVNMZID-JOYOIKCWSA-N -1 3 391.287 3.188 20 0 GGADHM O=S(=O)([N-]CCCOC[C@@H]1CCOC1)c1c(Cl)ccc2ccccc21 ZINC000440397404 567624893 /nfs/dbraw/zinc/62/48/93/567624893.db2.gz HZEWUSPAKOWBKF-AWEZNQCLSA-N -1 3 383.897 3.215 20 0 GGADHM O=C(C1CCCCC1)N1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000459444183 567625246 /nfs/dbraw/zinc/62/52/46/567625246.db2.gz REMHBHSPEKDPNI-HNNXBMFYSA-N -1 3 381.314 3.426 20 0 GGADHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440391421 567625414 /nfs/dbraw/zinc/62/54/14/567625414.db2.gz OEXPHTPZIGNTOO-UHFFFAOYSA-N -1 3 382.913 3.420 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCCC1 ZINC000645434906 567625485 /nfs/dbraw/zinc/62/54/85/567625485.db2.gz VWQZGPDZBYLEHO-AWEZNQCLSA-N -1 3 384.498 3.011 20 0 GGADHM NC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000530826168 567625540 /nfs/dbraw/zinc/62/55/40/567625540.db2.gz SJSSGWLGOAUPGN-UHFFFAOYSA-N -1 3 380.278 3.024 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000621958469 567625993 /nfs/dbraw/zinc/62/59/93/567625993.db2.gz KBPYYJJSFXQLNS-AWEZNQCLSA-N -1 3 399.191 3.042 20 0 GGADHM O=C1C[C@@H](CNCc2cccc([O-])c2Br)CN1Cc1ccccc1 ZINC000459447033 567626008 /nfs/dbraw/zinc/62/60/08/567626008.db2.gz FRELTZXBMQAKRQ-HNNXBMFYSA-N -1 3 389.293 3.293 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)c(F)c1 ZINC000480738770 567626159 /nfs/dbraw/zinc/62/61/59/567626159.db2.gz RGIMGFYGNYLTCO-CYBMUJFWSA-N -1 3 384.860 3.045 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645452187 567626311 /nfs/dbraw/zinc/62/63/11/567626311.db2.gz JSIDQKZEXHVVNG-UHFFFAOYSA-N -1 3 398.834 3.144 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000553091224 567626378 /nfs/dbraw/zinc/62/63/78/567626378.db2.gz OVWXZRTVCDHAQV-INIZCTEOSA-N -1 3 385.222 3.376 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000480746130 567626464 /nfs/dbraw/zinc/62/64/64/567626464.db2.gz DVIYUIMTRJLGFG-WFASDCNBSA-N -1 3 383.466 3.288 20 0 GGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H](C)C(F)(F)F ZINC000480740227 567626498 /nfs/dbraw/zinc/62/64/98/567626498.db2.gz OSEPCEQFYALWIC-ZETCQYMHSA-N -1 3 378.185 3.373 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(F)F)cc1 ZINC000645458432 567626474 /nfs/dbraw/zinc/62/64/74/567626474.db2.gz WUVGMRONTCLLTR-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440412544 567626687 /nfs/dbraw/zinc/62/66/87/567626687.db2.gz GWNGMDLAESCIBA-HNNXBMFYSA-N -1 3 376.869 3.207 20 0 GGADHM Fc1cnccc1-c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000572263863 567627039 /nfs/dbraw/zinc/62/70/39/567627039.db2.gz YURSOVYVABSBAG-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM CN(C)[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)cc1 ZINC000530837841 567626995 /nfs/dbraw/zinc/62/69/95/567626995.db2.gz ALFCLKYBQUEQCY-ZDUSSCGKSA-N -1 3 381.933 3.335 20 0 GGADHM Fc1cnccc1-c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000572263863 567627042 /nfs/dbraw/zinc/62/70/42/567627042.db2.gz YURSOVYVABSBAG-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM Fc1cnccc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000572263863 567627047 /nfs/dbraw/zinc/62/70/47/567627047.db2.gz YURSOVYVABSBAG-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)N1CCCCC1 ZINC000440406419 567627138 /nfs/dbraw/zinc/62/71/38/567627138.db2.gz XPNDINOMVHXNPY-ZDUSSCGKSA-N -1 3 380.897 3.173 20 0 GGADHM CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645463404 567628291 /nfs/dbraw/zinc/62/82/91/567628291.db2.gz BAFPJXPWNDXCHE-UHFFFAOYSA-N -1 3 386.823 3.001 20 0 GGADHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1sccc1C1CC1 ZINC000530876617 567628509 /nfs/dbraw/zinc/62/85/09/567628509.db2.gz MPJQIQLPMNZIBL-UHFFFAOYSA-N -1 3 378.475 3.123 20 0 GGADHM CC(C)c1nc([C@H]2COCCN2Cc2cccc([O-])c2Br)no1 ZINC000459490387 567628917 /nfs/dbraw/zinc/62/89/17/567628917.db2.gz XZGSZBOTLWFTRP-GFCCVEGCSA-N -1 3 382.258 3.235 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)cs1 ZINC000645478903 567629173 /nfs/dbraw/zinc/62/91/73/567629173.db2.gz UKSGFQCAYPFYDS-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645478221 567629269 /nfs/dbraw/zinc/62/92/69/567629269.db2.gz KKSIRZZMSACGPK-SECBINFHSA-N -1 3 378.347 3.288 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)(F)F)cc2)nc1C ZINC000480766681 567629920 /nfs/dbraw/zinc/62/99/20/567629920.db2.gz CPDYKJWBGKUKQU-JTQLQIEISA-N -1 3 377.388 3.150 20 0 GGADHM O=S(=O)([N-]CCN1CC=CCC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000480784178 567630975 /nfs/dbraw/zinc/63/09/75/567630975.db2.gz BBNSBOUMJGIVNG-UHFFFAOYSA-N -1 3 384.929 3.059 20 0 GGADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000480782842 567631068 /nfs/dbraw/zinc/63/10/68/567631068.db2.gz YLNXZBZTKAYIOO-SCLBCKFNSA-N -1 3 385.888 3.387 20 0 GGADHM C[C@H](Cc1ccncc1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000530911786 567631340 /nfs/dbraw/zinc/63/13/40/567631340.db2.gz KGGJFUNFEXSGQV-LLVKDONJSA-N -1 3 386.249 3.047 20 0 GGADHM O=C(Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1)c1ccnn1CC(F)F ZINC000572331650 567631640 /nfs/dbraw/zinc/63/16/40/567631640.db2.gz JBEVXENELAEGQG-UHFFFAOYSA-N -1 3 387.177 3.492 20 0 GGADHM COCc1cnc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)s1 ZINC000553164761 567632329 /nfs/dbraw/zinc/63/23/29/567632329.db2.gz HCMDZUZHXAVUOB-UHFFFAOYSA-N -1 3 394.499 3.436 20 0 GGADHM CCOc1cc(CNCc2cc(S(C)(=O)=O)ccc2F)cc(Cl)c1[O-] ZINC000459516265 567632402 /nfs/dbraw/zinc/63/24/02/567632402.db2.gz BJZGESDCXXQROX-UHFFFAOYSA-N -1 3 387.860 3.277 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)c1C ZINC000530956533 567632553 /nfs/dbraw/zinc/63/25/53/567632553.db2.gz HDXGIPQZGIAPMS-UHFFFAOYSA-N -1 3 392.344 3.131 20 0 GGADHM CCOC(=O)c1c([N-]C(=O)C(=O)Nc2ccsc2)sc2c1CCSC2 ZINC000440530407 567632794 /nfs/dbraw/zinc/63/27/94/567632794.db2.gz ACUDHGOORQRDMA-UHFFFAOYSA-N -1 3 396.515 3.353 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000665646577 567633121 /nfs/dbraw/zinc/63/31/21/567633121.db2.gz YEOKJKKWDANXJL-HIFRSBDPSA-N -1 3 398.937 3.132 20 0 GGADHM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000553173508 567633177 /nfs/dbraw/zinc/63/31/77/567633177.db2.gz NRDDNHFDASWFDU-ZBFHGGJFSA-N -1 3 378.519 3.026 20 0 GGADHM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1c(Cl)cccc1Cl ZINC000553195735 567633388 /nfs/dbraw/zinc/63/33/88/567633388.db2.gz IMVOXOMTXKVFGR-UHFFFAOYSA-N -1 3 391.242 3.298 20 0 GGADHM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000572364137 567633686 /nfs/dbraw/zinc/63/36/86/567633686.db2.gz UXELLOKEZPBSFW-HSZRJFAPSA-N -1 3 387.910 3.336 20 0 GGADHM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000553173507 567633937 /nfs/dbraw/zinc/63/39/37/567633937.db2.gz NRDDNHFDASWFDU-HOCLYGCPSA-N -1 3 378.519 3.026 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)sc1Br ZINC000572353897 567634083 /nfs/dbraw/zinc/63/40/83/567634083.db2.gz LAUQHSKWYFICAD-MRVPVSSYSA-N -1 3 389.287 3.069 20 0 GGADHM O=C(NC[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1)c1ccco1 ZINC000459532924 567634265 /nfs/dbraw/zinc/63/42/65/567634265.db2.gz DTVXOLGHIGVYPN-ZDUSSCGKSA-N -1 3 393.281 3.390 20 0 GGADHM Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc([O-])c2Br)cc1 ZINC000459539479 567634426 /nfs/dbraw/zinc/63/44/26/567634426.db2.gz TZDPDLPBHICTCE-CYBMUJFWSA-N -1 3 398.322 3.415 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)cn1 ZINC000506610130 567634585 /nfs/dbraw/zinc/63/45/85/567634585.db2.gz HJDDTKYLBRBBRL-UHFFFAOYSA-N -1 3 381.885 3.325 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)no1 ZINC000645510755 567634994 /nfs/dbraw/zinc/63/49/94/567634994.db2.gz QDGQYTDQWYRLQY-UHFFFAOYSA-N -1 3 399.778 3.144 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000480847867 567635204 /nfs/dbraw/zinc/63/52/04/567635204.db2.gz BMLPWCZEUJLISK-TVQRCGJNSA-N -1 3 382.835 3.120 20 0 GGADHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000480847844 567635357 /nfs/dbraw/zinc/63/53/57/567635357.db2.gz TTZYFJRCJXQOOO-AMIZOPFISA-N -1 3 383.728 3.408 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000572382054 567635544 /nfs/dbraw/zinc/63/55/44/567635544.db2.gz GJRYLMWPJLQZDZ-UHFFFAOYSA-N -1 3 380.800 3.279 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000480850457 567636612 /nfs/dbraw/zinc/63/66/12/567636612.db2.gz HJKTUYZZDSJQEQ-SECBINFHSA-N -1 3 391.237 3.032 20 0 GGADHM [O-]c1ccc(CCCc2nc(Cn3cc(Br)cn3)no2)cc1F ZINC000572406033 567636765 /nfs/dbraw/zinc/63/67/65/567636765.db2.gz YWPCWOMNWVHIMR-UHFFFAOYSA-N -1 3 381.205 3.097 20 0 GGADHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])CO2 ZINC000531015052 567637119 /nfs/dbraw/zinc/63/71/19/567637119.db2.gz KTXRJVQRUXCGJZ-LLVKDONJSA-N -1 3 378.222 3.353 20 0 GGADHM Cc1cc(CNCc2cccc([O-])c2Br)nc(N2CCCC2)n1 ZINC000459562547 567637456 /nfs/dbraw/zinc/63/74/56/567637456.db2.gz TUMCNCOIWBERJN-UHFFFAOYSA-N -1 3 377.286 3.143 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccnc(N2CCCCC2)n1 ZINC000531015289 567637611 /nfs/dbraw/zinc/63/76/11/567637611.db2.gz OLSLOLGGVJTPLQ-UHFFFAOYSA-N -1 3 377.242 3.187 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000480867917 567638008 /nfs/dbraw/zinc/63/80/08/567638008.db2.gz UOLPXOKSNBIQLN-CYBMUJFWSA-N -1 3 387.523 3.003 20 0 GGADHM O=S(=O)([N-]c1ccc(I)cc1Cl)c1ccoc1 ZINC000506688105 567638172 /nfs/dbraw/zinc/63/81/72/567638172.db2.gz FGPWWTYRTXLWJC-UHFFFAOYSA-N -1 3 383.594 3.338 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645525632 567638532 /nfs/dbraw/zinc/63/85/32/567638532.db2.gz MQMBRQANNANDJG-LBPRGKRZSA-N -1 3 398.834 3.001 20 0 GGADHM O=C(c1ccsc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000665781955 567638521 /nfs/dbraw/zinc/63/85/21/567638521.db2.gz KJMWEYJEFIOTDQ-UHFFFAOYSA-N -1 3 390.939 3.046 20 0 GGADHM CN(C)C(=O)Nc1ccccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506688854 567638952 /nfs/dbraw/zinc/63/89/52/567638952.db2.gz SDOLXJKCHHCPKQ-UHFFFAOYSA-N -1 3 381.885 3.418 20 0 GGADHM [O-]c1cccc(CNCc2ccncc2OC[C@@H]2CCOC2)c1Br ZINC000459571626 567639179 /nfs/dbraw/zinc/63/91/79/567639179.db2.gz RZKSNTDDPTVTOQ-CYBMUJFWSA-N -1 3 393.281 3.255 20 0 GGADHM O=S(=O)([N-]CCNc1nccc(C(F)F)n1)c1cccc(Cl)c1Cl ZINC000553262534 567639234 /nfs/dbraw/zinc/63/92/34/567639234.db2.gz ZSILPHOMHMFTFG-UHFFFAOYSA-N -1 3 397.234 3.111 20 0 GGADHM CCOc1cc(CN2CCCC[C@H]2C(=O)NCC(F)F)cc(Cl)c1[O-] ZINC000459578832 567639535 /nfs/dbraw/zinc/63/95/35/567639535.db2.gz YCLWMRKVZLBFLL-ZDUSSCGKSA-N -1 3 376.831 3.180 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)(C)O ZINC000480887209 567640291 /nfs/dbraw/zinc/64/02/91/567640291.db2.gz DKWNMPUJUSWJAT-LBPRGKRZSA-N -1 3 384.723 3.176 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)sc1C ZINC000645550224 567639568 /nfs/dbraw/zinc/63/95/68/567639568.db2.gz YWDOWLZYMDSCIC-UHFFFAOYSA-N -1 3 379.429 3.387 20 0 GGADHM Cc1cscc1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553266204 567640315 /nfs/dbraw/zinc/64/03/15/567640315.db2.gz UFYIQSFQWANTGA-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(CO)Cc2ccccc2)c(Cl)cc1F ZINC000480905320 567641540 /nfs/dbraw/zinc/64/15/40/567641540.db2.gz XANZDWLAOFZCKA-GOSISDBHSA-N -1 3 385.888 3.307 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645562143 567641543 /nfs/dbraw/zinc/64/15/43/567641543.db2.gz LIFWCWDLZPSVNF-UHFFFAOYSA-N -1 3 386.804 3.216 20 0 GGADHM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645561814 567641594 /nfs/dbraw/zinc/64/15/94/567641594.db2.gz JAWOAZUGRDHDGC-JTQLQIEISA-N -1 3 375.796 3.068 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(CO)Cc2ccccc2)c(Cl)cc1F ZINC000480905322 567641792 /nfs/dbraw/zinc/64/17/92/567641792.db2.gz XANZDWLAOFZCKA-SFHVURJKSA-N -1 3 385.888 3.307 20 0 GGADHM CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531113041 567641857 /nfs/dbraw/zinc/64/18/57/567641857.db2.gz FYLXDXRUDLZKKZ-LBPRGKRZSA-N -1 3 382.869 3.437 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@H](c1ccccc1)N(C)C ZINC000480926851 567642559 /nfs/dbraw/zinc/64/25/59/567642559.db2.gz JMGYUOOBSDABEE-XHDPSFHLSA-N -1 3 387.299 3.012 20 0 GGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645573330 567642753 /nfs/dbraw/zinc/64/27/53/567642753.db2.gz UTYHFVSRWRCWFY-JTQLQIEISA-N -1 3 389.823 3.316 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645571707 567642780 /nfs/dbraw/zinc/64/27/80/567642780.db2.gz CZRKXYKMNLCWKV-UHFFFAOYSA-N -1 3 397.806 3.067 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000553318337 567642903 /nfs/dbraw/zinc/64/29/03/567642903.db2.gz FIYNBDBLRBLJST-SFHVURJKSA-N -1 3 399.292 3.294 20 0 GGADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1Br ZINC000480916361 567643141 /nfs/dbraw/zinc/64/31/41/567643141.db2.gz ZDRFYABBRHMSBA-MRVPVSSYSA-N -1 3 390.221 3.467 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@H]1CC12CCOCC2 ZINC000531135497 567643647 /nfs/dbraw/zinc/64/36/47/567643647.db2.gz ZMTGREISCUZBSI-CYBMUJFWSA-N -1 3 394.244 3.155 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C(=O)Nc3ccccc3)C2)sc1Cl ZINC000572499400 567643851 /nfs/dbraw/zinc/64/38/51/567643851.db2.gz BPIVZWOPCRDFSY-ZDUSSCGKSA-N -1 3 399.925 3.295 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000645593577 567643874 /nfs/dbraw/zinc/64/38/74/567643874.db2.gz ZYVYIXIGIDIGTJ-BXUZGUMPSA-N -1 3 387.889 3.041 20 0 GGADHM Cc1ccc(Br)c(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000480935950 567644314 /nfs/dbraw/zinc/64/43/14/567644314.db2.gz PYFLRJWFSONVBK-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(Br)c(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000480935950 567644320 /nfs/dbraw/zinc/64/43/20/567644320.db2.gz PYFLRJWFSONVBK-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1ccc(Br)c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480935950 567644324 /nfs/dbraw/zinc/64/43/24/567644324.db2.gz PYFLRJWFSONVBK-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000645593595 567644997 /nfs/dbraw/zinc/64/49/97/567644997.db2.gz ZYVYIXIGIDIGTJ-SMDDNHRTSA-N -1 3 387.889 3.041 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(C)ccc1OC(F)F ZINC000645597975 567645219 /nfs/dbraw/zinc/64/52/19/567645219.db2.gz LUGGEXGIEBJELX-UHFFFAOYSA-N -1 3 375.368 3.223 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)N1Cc2ccccc2C1 ZINC000480957483 567645546 /nfs/dbraw/zinc/64/55/46/567645546.db2.gz SWTKHGJJIBLQHK-LLVKDONJSA-N -1 3 399.299 3.203 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CCOCC1 ZINC000645603230 567645573 /nfs/dbraw/zinc/64/55/73/567645573.db2.gz HCDRAQDYKJCLOW-VIFPVBQESA-N -1 3 387.807 3.332 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1csc(CCc2ccccc2)n1)C(C)C ZINC000645594909 567645718 /nfs/dbraw/zinc/64/57/18/567645718.db2.gz ZHAIUMXDEYLPAJ-KRWDZBQOSA-N -1 3 382.551 3.019 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)sc1Br ZINC000531195076 567646312 /nfs/dbraw/zinc/64/63/12/567646312.db2.gz NTVYWERRFXTDPJ-JLLWLGSASA-N -1 3 394.356 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1Cc2ccccc2C1 ZINC000480962680 567646543 /nfs/dbraw/zinc/64/65/43/567646543.db2.gz XFCXSYOZVTYQCF-LLVKDONJSA-N -1 3 399.299 3.203 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000531194985 567646820 /nfs/dbraw/zinc/64/68/20/567646820.db2.gz JDFDPTDNGNOWJY-STQMWFEESA-N -1 3 387.324 3.357 20 0 GGADHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccsc2)CC1 ZINC000506858355 567647266 /nfs/dbraw/zinc/64/72/66/567647266.db2.gz BCFAUUXOGNBUFD-UHFFFAOYSA-N -1 3 385.942 3.344 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000480978861 567647611 /nfs/dbraw/zinc/64/76/11/567647611.db2.gz LDDTXTPJKYVVCB-NSHDSACASA-N -1 3 399.299 3.203 20 0 GGADHM CCCCn1c(=O)[n-]nc1SCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000572555822 567647730 /nfs/dbraw/zinc/64/77/30/567647730.db2.gz QALIXHLROGNOLL-UHFFFAOYSA-N -1 3 382.852 3.449 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(C(F)(F)F)cn1 ZINC000480976122 567647897 /nfs/dbraw/zinc/64/78/97/567647897.db2.gz DPDWHFRYCVVUIC-SKDRFNHKSA-N -1 3 378.322 3.213 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000531254075 567649161 /nfs/dbraw/zinc/64/91/61/567649161.db2.gz ASXGEVDYNBJCEB-NSHDSACASA-N -1 3 381.270 3.274 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1c(F)cccc1OC(F)F ZINC000480986346 567649162 /nfs/dbraw/zinc/64/91/62/567649162.db2.gz VZOLLULCIHWQKB-UHFFFAOYSA-N -1 3 381.322 3.325 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@H](C)O1 ZINC000645635557 567649479 /nfs/dbraw/zinc/64/94/79/567649479.db2.gz XIRHDMQQGLJZSJ-DOFRTFSJSA-N -1 3 387.807 3.473 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000531253905 567649383 /nfs/dbraw/zinc/64/93/83/567649383.db2.gz WAOZZKMYJRYTRF-ZDUSSCGKSA-N -1 3 393.212 3.285 20 0 GGADHM CCCCCOC1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000531251588 567649394 /nfs/dbraw/zinc/64/93/94/567649394.db2.gz ITPTXIKQIMWAKD-UHFFFAOYSA-N -1 3 393.281 3.322 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2ccc(F)cc21)c1cncc(Br)c1 ZINC000480985302 567649456 /nfs/dbraw/zinc/64/94/56/567649456.db2.gz VSLCUHRBMHUROS-HNNXBMFYSA-N -1 3 385.258 3.339 20 0 GGADHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645637164 567649810 /nfs/dbraw/zinc/64/98/10/567649810.db2.gz AKVYALKNJUHQLT-UHFFFAOYSA-N -1 3 375.796 3.066 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cs1 ZINC000622551147 567650012 /nfs/dbraw/zinc/65/00/12/567650012.db2.gz JEZBSWXGWZFYCV-NSHDSACASA-N -1 3 385.320 3.312 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000645637476 567650275 /nfs/dbraw/zinc/65/02/75/567650275.db2.gz RISFSUVIURWBSD-ZJUUUORDSA-N -1 3 387.807 3.332 20 0 GGADHM CO[C@@](C)([C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000572582470 567650729 /nfs/dbraw/zinc/65/07/29/567650729.db2.gz NNCLGQQCBWKNSW-YPMLDQLKSA-N -1 3 393.281 3.224 20 0 GGADHM O=C(C[C@H]1CCCCO1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000531276765 567650813 /nfs/dbraw/zinc/65/08/13/567650813.db2.gz YYTONXSOMAKDEM-CYBMUJFWSA-N -1 3 382.233 3.298 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@@H]1CCCOC1 ZINC000645645001 567650858 /nfs/dbraw/zinc/65/08/58/567650858.db2.gz RTKLFEYJZVPZBF-NXEZZACHSA-N -1 3 387.807 3.332 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)c(F)c1 ZINC000481020168 567651726 /nfs/dbraw/zinc/65/17/26/567651726.db2.gz IGGQLKLMUOGOMR-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000572609241 567652012 /nfs/dbraw/zinc/65/20/12/567652012.db2.gz HPWGATPSEPXICF-JQEORGNBSA-N -1 3 398.282 3.246 20 0 GGADHM CN(CCCN(C)C(=O)c1cccc(Br)c1[O-])Cc1ccncc1 ZINC000572608841 567652341 /nfs/dbraw/zinc/65/23/41/567652341.db2.gz VHCOLCMJCIIJIL-UHFFFAOYSA-N -1 3 392.297 3.144 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1ccccc1Br ZINC000553426221 567652767 /nfs/dbraw/zinc/65/27/67/567652767.db2.gz YORZZPIWRKBRLV-UHFFFAOYSA-N -1 3 387.299 3.182 20 0 GGADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645652895 567652883 /nfs/dbraw/zinc/65/28/83/567652883.db2.gz IAYFTBHSQFWQMI-UHFFFAOYSA-N -1 3 382.707 3.137 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c(F)c1 ZINC000481023967 567653415 /nfs/dbraw/zinc/65/34/15/567653415.db2.gz JZUFZLJQQZMAAU-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1OC(F)(F)F ZINC000645660385 567653845 /nfs/dbraw/zinc/65/38/45/567653845.db2.gz QSAMWRLBXYHJNS-ONGXEEELSA-N -1 3 387.807 3.068 20 0 GGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000531367696 567655101 /nfs/dbraw/zinc/65/51/01/567655101.db2.gz KRXVQDRULFTUPS-JSGCOSHPSA-N -1 3 388.942 3.177 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(OC)cc1F)c1ccsc1 ZINC000481065931 567656124 /nfs/dbraw/zinc/65/61/24/567656124.db2.gz YSEHWOZEAKFXMU-MRXNPFEDSA-N -1 3 386.514 3.257 20 0 GGADHM Cn1cc(-c2nc(C(=O)Nc3cc(Br)ccc3[O-])cs2)cn1 ZINC000531394592 567657020 /nfs/dbraw/zinc/65/70/20/567657020.db2.gz BDISKVCYAGHPGE-UHFFFAOYSA-N -1 3 379.239 3.264 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1cc(C(F)(F)F)ccc1Cl ZINC000481077421 567657085 /nfs/dbraw/zinc/65/70/85/567657085.db2.gz VMZHACMKCGOAQH-LLVKDONJSA-N -1 3 379.791 3.438 20 0 GGADHM COc1cc(CNCc2cccc(N3CCC3=O)c2)cc(Br)c1[O-] ZINC000441221185 567657668 /nfs/dbraw/zinc/65/76/68/567657668.db2.gz VWXQJESQHYUUGU-UHFFFAOYSA-N -1 3 391.265 3.190 20 0 GGADHM O=C(CCOCC1CC1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000531432429 567658170 /nfs/dbraw/zinc/65/81/70/567658170.db2.gz JRGRBGCNGZVANN-UHFFFAOYSA-N -1 3 382.233 3.155 20 0 GGADHM CC[C@@H](C)[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553484971 567658119 /nfs/dbraw/zinc/65/81/19/567658119.db2.gz PRVFUHMJCPNBFQ-GHMZBOCLSA-N -1 3 396.340 3.006 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2coc(-c3ccc(C)cc3)n2)s1 ZINC000531433528 567658192 /nfs/dbraw/zinc/65/81/92/567658192.db2.gz ZOEGABPHQVACNW-UHFFFAOYSA-N -1 3 377.491 3.244 20 0 GGADHM CCc1cccc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)c1[O-] ZINC000531432543 567658277 /nfs/dbraw/zinc/65/82/77/567658277.db2.gz TZGDNTSKRJYMJW-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645711701 567658397 /nfs/dbraw/zinc/65/83/97/567658397.db2.gz WWEZUCQUOXBYRP-CBAPKCEASA-N -1 3 375.821 3.268 20 0 GGADHM C[C@@H](C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(Cl)s1 ZINC000531415020 567658360 /nfs/dbraw/zinc/65/83/60/567658360.db2.gz YNGARMPSXGYIEI-XLFHBGCDSA-N -1 3 377.853 3.198 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645713332 567658670 /nfs/dbraw/zinc/65/86/70/567658670.db2.gz KDFQDCCPSIXRNQ-UWVGGRQHSA-N -1 3 387.807 3.190 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000645696538 567658828 /nfs/dbraw/zinc/65/88/28/567658828.db2.gz VPYKLUIHUITHHM-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM O=C1CCc2cc(Br)c(S(=O)(=O)[N-]CC3=CCCCC3)cc2N1 ZINC000572693547 567658836 /nfs/dbraw/zinc/65/88/36/567658836.db2.gz HDQWZSPLHWFJRG-UHFFFAOYSA-N -1 3 399.310 3.113 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000645716181 567659525 /nfs/dbraw/zinc/65/95/25/567659525.db2.gz JIAFRIOGVOZITQ-ZDUSSCGKSA-N -1 3 394.802 3.420 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000645716156 567659737 /nfs/dbraw/zinc/65/97/37/567659737.db2.gz JIAFRIOGVOZITQ-CYBMUJFWSA-N -1 3 394.802 3.420 20 0 GGADHM Cc1cccc2cc(S(=O)(=O)[N-][C@H]3CC[C@](O)(C(F)(F)F)C3)sc21 ZINC000645721952 567659915 /nfs/dbraw/zinc/65/99/15/567659915.db2.gz CIUVOPFTDDVQCO-SMDDNHRTSA-N -1 3 379.425 3.334 20 0 GGADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000531436852 567660087 /nfs/dbraw/zinc/66/00/87/567660087.db2.gz NSOWMIGLDXICJG-UHFFFAOYSA-N -1 3 381.295 3.258 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@H]1COc2ccc(F)cc21 ZINC000553515618 567660218 /nfs/dbraw/zinc/66/02/18/567660218.db2.gz SRQPHJUICPUEIH-AWEZNQCLSA-N -1 3 386.242 3.141 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c(C)o1 ZINC000531436250 567660306 /nfs/dbraw/zinc/66/03/06/567660306.db2.gz MGEBEXGEUVLAJJ-LLVKDONJSA-N -1 3 380.491 3.027 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645716598 567660365 /nfs/dbraw/zinc/66/03/65/567660365.db2.gz NQQYDYLJFDCSLO-UHFFFAOYSA-N -1 3 397.806 3.181 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)c(Cl)c1Cl ZINC000572712294 567660452 /nfs/dbraw/zinc/66/04/52/567660452.db2.gz NFJLPQOIYWCDAV-DTWKUNHWSA-N -1 3 376.265 3.183 20 0 GGADHM CCc1cccc(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000572714465 567660494 /nfs/dbraw/zinc/66/04/94/567660494.db2.gz LDHFISZWZIHWTD-OAHLLOKOSA-N -1 3 380.282 3.247 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)c(C)o1 ZINC000531436253 567660468 /nfs/dbraw/zinc/66/04/68/567660468.db2.gz MGEBEXGEUVLAJJ-NSHDSACASA-N -1 3 380.491 3.027 20 0 GGADHM CCc1cccc(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000572714464 567660556 /nfs/dbraw/zinc/66/05/56/567660556.db2.gz LDHFISZWZIHWTD-HNNXBMFYSA-N -1 3 380.282 3.247 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)c(Cl)c1Cl ZINC000572712293 567660600 /nfs/dbraw/zinc/66/06/00/567660600.db2.gz NFJLPQOIYWCDAV-BDAKNGLRSA-N -1 3 376.265 3.183 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)CCCCF)CCCN1c1ccc(Cl)cc1Cl ZINC000553528649 567661194 /nfs/dbraw/zinc/66/11/94/567661194.db2.gz CFBRVMKVDRKKAU-CYBMUJFWSA-N -1 3 397.299 3.158 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCC1 ZINC000553523827 567661445 /nfs/dbraw/zinc/66/14/45/567661445.db2.gz WKUMMIJZBQBTNL-UHFFFAOYSA-N -1 3 385.379 3.352 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C(F)(F)F ZINC000553525290 567661465 /nfs/dbraw/zinc/66/14/65/567661465.db2.gz ZGNSKJCUCFYXTL-MRVPVSSYSA-N -1 3 397.216 3.474 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)s1 ZINC000553521349 567661608 /nfs/dbraw/zinc/66/16/08/567661608.db2.gz XMOIBALCVWGLMU-HNNXBMFYSA-N -1 3 379.507 3.311 20 0 GGADHM O=S(=O)([N-]CCNCc1cc2ccccc2o1)c1ccc(Cl)cc1F ZINC000441357414 567662137 /nfs/dbraw/zinc/66/21/37/567662137.db2.gz NPTBXTSBWMWKAS-UHFFFAOYSA-N -1 3 382.844 3.293 20 0 GGADHM COc1ccc(CN[C@]2(CO)CCCc3ccccc32)c(Br)c1[O-] ZINC000441341856 567662151 /nfs/dbraw/zinc/66/21/51/567662151.db2.gz WLHDRSNYOFXSTI-IBGZPJMESA-N -1 3 392.293 3.477 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Br)cn1 ZINC000481211505 567662308 /nfs/dbraw/zinc/66/23/08/567662308.db2.gz HABMTQJMLIEHJB-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)cc1F ZINC000481209929 567662553 /nfs/dbraw/zinc/66/25/53/567662553.db2.gz RPSFBZBAEGHOIB-SECBINFHSA-N -1 3 391.237 3.470 20 0 GGADHM CCC[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441390507 567662657 /nfs/dbraw/zinc/66/26/57/567662657.db2.gz ZXONSSKKQFJZFT-MRXNPFEDSA-N -1 3 378.897 3.090 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(C)C)cc2)s1 ZINC000553534510 567662872 /nfs/dbraw/zinc/66/28/72/567662872.db2.gz VTVNWTUKWYRJEB-GFCCVEGCSA-N -1 3 381.523 3.134 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cn2)c(F)cc1F ZINC000481223471 567663371 /nfs/dbraw/zinc/66/33/71/567663371.db2.gz RZEVMOKDKQQIBD-VIFPVBQESA-N -1 3 391.237 3.470 20 0 GGADHM CC[C@](C)(C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)OC ZINC000645745937 567663416 /nfs/dbraw/zinc/66/34/16/567663416.db2.gz LBHVKLNJPORUPG-CYBMUJFWSA-N -1 3 384.723 3.337 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)C2)c(OC)cc1Br ZINC000481219084 567663598 /nfs/dbraw/zinc/66/35/98/567663598.db2.gz NLUABQNUTBVYSG-QWRGUYRKSA-N -1 3 392.315 3.181 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccn(C)n1 ZINC000645755054 567663906 /nfs/dbraw/zinc/66/39/06/567663906.db2.gz RHLUOMPGQAYNIH-MRVPVSSYSA-N -1 3 383.779 3.012 20 0 GGADHM O=C(c1csc(=O)[n-]1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000553544985 567664205 /nfs/dbraw/zinc/66/42/05/567664205.db2.gz RHOHJNNTTJSMKY-UHFFFAOYSA-N -1 3 391.802 3.483 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccn(C)n1 ZINC000645755056 567664168 /nfs/dbraw/zinc/66/41/68/567664168.db2.gz RHLUOMPGQAYNIH-QMMMGPOBSA-N -1 3 383.779 3.012 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)s1)c1cncc(Cl)c1 ZINC000481228282 567664361 /nfs/dbraw/zinc/66/43/61/567664361.db2.gz FBYKZQYZGPBRND-NXEZZACHSA-N -1 3 393.715 3.393 20 0 GGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CC1 ZINC000645751171 567665010 /nfs/dbraw/zinc/66/50/10/567665010.db2.gz UWRJSBIIDOAQQP-SDBXPKJASA-N -1 3 387.807 3.330 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cn2)c(F)c1 ZINC000481247123 567665234 /nfs/dbraw/zinc/66/52/34/567665234.db2.gz UACYBCMHDOOZTJ-VIFPVBQESA-N -1 3 389.246 3.031 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000481248720 567665285 /nfs/dbraw/zinc/66/52/85/567665285.db2.gz YSVXRNJSVUCAOT-OCCSQVGLSA-N -1 3 383.466 3.288 20 0 GGADHM CC(C)CO[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000531577644 567666747 /nfs/dbraw/zinc/66/67/47/567666747.db2.gz ZBWZMXDOHVGTRS-CYBMUJFWSA-N -1 3 393.281 3.178 20 0 GGADHM O=S(=O)([N-]CCNc1ccccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000531578356 567667260 /nfs/dbraw/zinc/66/72/60/567667260.db2.gz YGBYHBXXRFSVNN-UHFFFAOYSA-N -1 3 379.791 3.144 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000481266416 567667404 /nfs/dbraw/zinc/66/74/04/567667404.db2.gz GIUIKVHHRPLRPJ-INIZCTEOSA-N -1 3 387.929 3.348 20 0 GGADHM COCCC1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000481270935 567668016 /nfs/dbraw/zinc/66/80/16/567668016.db2.gz XKMUSCFBWPKJRH-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000553572222 567668302 /nfs/dbraw/zinc/66/83/02/567668302.db2.gz VTYJQKAYMGTLKL-XLKFXECMSA-N -1 3 376.331 3.040 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000553572219 567668355 /nfs/dbraw/zinc/66/83/55/567668355.db2.gz VTYJQKAYMGTLKL-CLAHSXSESA-N -1 3 376.331 3.040 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000553572221 567668379 /nfs/dbraw/zinc/66/83/79/567668379.db2.gz VTYJQKAYMGTLKL-RTHLEPHNSA-N -1 3 376.331 3.040 20 0 GGADHM CCC(C)(C)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000441539443 567669079 /nfs/dbraw/zinc/66/90/79/567669079.db2.gz IGQBDKXOOIKGGY-LLVKDONJSA-N -1 3 378.947 3.107 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1Br ZINC000553577092 567668977 /nfs/dbraw/zinc/66/89/77/567668977.db2.gz WLDHUSUEYLTXHE-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(Br)c1 ZINC000531609322 567669128 /nfs/dbraw/zinc/66/91/28/567669128.db2.gz BBTGIJISGXSXMV-RYUDHWBXSA-N -1 3 388.308 3.354 20 0 GGADHM O=C(NC[C@@H](CO)Cc1ccccc1Br)c1cc([O-])ccc1Cl ZINC000507245195 567669925 /nfs/dbraw/zinc/66/99/25/567669925.db2.gz WUEVGXVBCXFMNK-NSHDSACASA-N -1 3 398.684 3.389 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCc2sccc2[C@H]1C ZINC000441651271 567670769 /nfs/dbraw/zinc/67/07/69/567670769.db2.gz LQQCRPBLZLICPQ-SNVBAGLBSA-N -1 3 378.475 3.071 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCn2cnnc2C(C)C)c1Cl ZINC000666388776 567670798 /nfs/dbraw/zinc/67/07/98/567670798.db2.gz AQACVAUPBHNKCU-UHFFFAOYSA-N -1 3 391.324 3.304 20 0 GGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000572861475 567671617 /nfs/dbraw/zinc/67/16/17/567671617.db2.gz RRTLRXZZXQKNKQ-SNVBAGLBSA-N -1 3 395.834 3.478 20 0 GGADHM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000531656800 567671923 /nfs/dbraw/zinc/67/19/23/567671923.db2.gz JYQFCPPNTXJDPA-UHFFFAOYSA-N -1 3 388.198 3.231 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1Br)c1cc(F)cc(F)c1 ZINC000507280204 567672602 /nfs/dbraw/zinc/67/26/02/567672602.db2.gz DNKJQFFDAXDBPW-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000645830813 567672818 /nfs/dbraw/zinc/67/28/18/567672818.db2.gz AXSDUHGIGGHPSZ-VHSXEESVSA-N -1 3 384.723 3.178 20 0 GGADHM CCC[C@@H](C)S(=O)(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000572887139 567673072 /nfs/dbraw/zinc/67/30/72/567673072.db2.gz JZSHJSZFQBHZDJ-SNVBAGLBSA-N -1 3 388.287 3.107 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)NCc1cccs1 ZINC000645825431 567673321 /nfs/dbraw/zinc/67/33/21/567673321.db2.gz GYROTBUBRFCXDU-LLVKDONJSA-N -1 3 392.955 3.145 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1Br)c1ccc(F)cc1F ZINC000507294609 567673992 /nfs/dbraw/zinc/67/39/92/567673992.db2.gz IAWUILKTIIWTTF-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1F)c1ccccc1C(F)(F)F ZINC000645844659 567674348 /nfs/dbraw/zinc/67/43/48/567674348.db2.gz IGXGMTBKDINGFG-CQSZACIVSA-N -1 3 377.359 3.247 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCCC2)s1 ZINC000645844742 567674498 /nfs/dbraw/zinc/67/44/98/567674498.db2.gz LZRNHNCTCMZDFT-GOSISDBHSA-N -1 3 384.567 3.412 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccccc1F)c1ccc(C(F)(F)F)s1 ZINC000645844042 567674607 /nfs/dbraw/zinc/67/46/07/567674607.db2.gz MPHMDECBFHIOHD-NSHDSACASA-N -1 3 383.388 3.308 20 0 GGADHM CC(C)n1cc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000531702866 567674635 /nfs/dbraw/zinc/67/46/35/567674635.db2.gz XRGHZLSWUNVDIQ-LLVKDONJSA-N -1 3 381.274 3.493 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000553679063 567674876 /nfs/dbraw/zinc/67/48/76/567674876.db2.gz SKEGFGCCURGZEF-YCPHGPKFSA-N -1 3 378.519 3.025 20 0 GGADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000441872310 567676289 /nfs/dbraw/zinc/67/62/89/567676289.db2.gz UJGVYKGDCZFMBM-UHFFFAOYSA-N -1 3 399.310 3.109 20 0 GGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000481442583 567677494 /nfs/dbraw/zinc/67/74/94/567677494.db2.gz IWPMCRFHJILIHI-BDJLRTHQSA-N -1 3 385.844 3.308 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000481441408 567677814 /nfs/dbraw/zinc/67/78/14/567677814.db2.gz WEEDEQDPXBGNPQ-UHFFFAOYSA-N -1 3 376.507 3.041 20 0 GGADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)cc1Br ZINC000507401528 567678341 /nfs/dbraw/zinc/67/83/41/567678341.db2.gz IXVYENKTYATZCS-UHFFFAOYSA-N -1 3 386.253 3.176 20 0 GGADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)cc1Br ZINC000507401528 567678345 /nfs/dbraw/zinc/67/83/45/567678345.db2.gz IXVYENKTYATZCS-UHFFFAOYSA-N -1 3 386.253 3.176 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1cccc(OCC(F)(F)F)c1 ZINC000481466214 567678983 /nfs/dbraw/zinc/67/89/83/567678983.db2.gz QQDFTAFUMDDKDU-UHFFFAOYSA-N -1 3 395.424 3.219 20 0 GGADHM Cc1cccc2nc(CC[N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)cn21 ZINC000645895666 567679035 /nfs/dbraw/zinc/67/90/35/567679035.db2.gz HDFNRRGKNGUQIZ-UHFFFAOYSA-N -1 3 389.424 3.244 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000481457732 567679232 /nfs/dbraw/zinc/67/92/32/567679232.db2.gz XJTMKRNCFUSKPX-UHFFFAOYSA-N -1 3 380.413 3.180 20 0 GGADHM CC[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1)C(C)(C)C ZINC000441975756 567679516 /nfs/dbraw/zinc/67/95/16/567679516.db2.gz SQDSLJOPPSSGIT-HNNXBMFYSA-N -1 3 394.534 3.079 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC2(CCC2)c2ccccc21 ZINC000481461394 567679467 /nfs/dbraw/zinc/67/94/67/567679467.db2.gz GCZATZWMIZTORA-UHFFFAOYSA-N -1 3 396.921 3.148 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c(F)c1 ZINC000481472598 567680671 /nfs/dbraw/zinc/68/06/71/567680671.db2.gz FCLZEXAWMGVAEM-ZDUSSCGKSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000481477448 567680757 /nfs/dbraw/zinc/68/07/57/567680757.db2.gz WRAHRULXEFPZPW-NSHDSACASA-N -1 3 381.306 3.079 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)s1 ZINC000481482061 567681058 /nfs/dbraw/zinc/68/10/58/567681058.db2.gz WEONLSGTIJCACC-JTQLQIEISA-N -1 3 384.361 3.285 20 0 GGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553766306 567681434 /nfs/dbraw/zinc/68/14/34/567681434.db2.gz NUBYUGKDDRHZMM-SNVBAGLBSA-N -1 3 378.347 3.029 20 0 GGADHM CC1(C)CC[C@@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000553768082 567681469 /nfs/dbraw/zinc/68/14/69/567681469.db2.gz FAOYFZNETSEIEO-ZDUSSCGKSA-N -1 3 384.548 3.207 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000442106608 567681979 /nfs/dbraw/zinc/68/19/79/567681979.db2.gz GHUQDKBIDSTXCT-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)cc1Cl ZINC000481494747 567681959 /nfs/dbraw/zinc/68/19/59/567681959.db2.gz RNALNLYRITXSDS-JTQLQIEISA-N -1 3 384.325 3.468 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2cccc(OCC(F)(F)F)c2)s1 ZINC000481488987 567682360 /nfs/dbraw/zinc/68/23/60/567682360.db2.gz FMQNABVAJDECDA-UHFFFAOYSA-N -1 3 394.440 3.222 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@H]1CCO[C@@H]1c1ccccc1 ZINC000553767060 567682434 /nfs/dbraw/zinc/68/24/34/567682434.db2.gz BDHVRNMCVSREQC-DLBZAZTESA-N -1 3 396.306 3.399 20 0 GGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000481497496 567682576 /nfs/dbraw/zinc/68/25/76/567682576.db2.gz VFDFHFZKBPFWCS-LLVKDONJSA-N -1 3 382.295 3.054 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)c1cncc(Cl)c1 ZINC000481487495 567682590 /nfs/dbraw/zinc/68/25/90/567682590.db2.gz BIOGVUOMQMTSIS-GFCCVEGCSA-N -1 3 381.668 3.054 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481490639 567682627 /nfs/dbraw/zinc/68/26/27/567682627.db2.gz IQOGFABPXBPKKH-ZDUSSCGKSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c1F ZINC000481502067 567683152 /nfs/dbraw/zinc/68/31/52/567683152.db2.gz NSAZJQISXMVWJB-GFCCVEGCSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cs1 ZINC000553776515 567683552 /nfs/dbraw/zinc/68/35/52/567683552.db2.gz PODICCOQLQQGMV-UHFFFAOYSA-N -1 3 384.376 3.010 20 0 GGADHM O=S(=O)(Cc1cccc(F)c1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481512106 567683824 /nfs/dbraw/zinc/68/38/24/567683824.db2.gz VLNONIOXOZFCCN-CQSZACIVSA-N -1 3 378.252 3.286 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c1 ZINC000507502177 567683850 /nfs/dbraw/zinc/68/38/50/567683850.db2.gz RBLFTRACFVPXHK-CQSZACIVSA-N -1 3 394.499 3.059 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1c[nH]cn1 ZINC000573039929 567684167 /nfs/dbraw/zinc/68/41/67/567684167.db2.gz INYSAOFPMIOAID-ZDUSSCGKSA-N -1 3 395.282 3.009 20 0 GGADHM COc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000507547143 567685014 /nfs/dbraw/zinc/68/50/14/567685014.db2.gz HRSIDKDVKOGXJW-UHFFFAOYSA-N -1 3 383.853 3.245 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000481512881 567685605 /nfs/dbraw/zinc/68/56/05/567685605.db2.gz XHYSSUYQXYLGMW-NSHDSACASA-N -1 3 385.816 3.432 20 0 GGADHM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000442222176 567685744 /nfs/dbraw/zinc/68/57/44/567685744.db2.gz JPOAYQLQLRJPNX-UHFFFAOYSA-N -1 3 379.869 3.287 20 0 GGADHM CCc1cc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)ccc1[O-] ZINC000553801124 567686467 /nfs/dbraw/zinc/68/64/67/567686467.db2.gz DLYHHRQTENVTMU-OAHLLOKOSA-N -1 3 382.229 3.320 20 0 GGADHM Cc1ccc2nc(CNC(=O)NCc3ccc([O-])c(Br)c3)cn2c1 ZINC000460363868 567686633 /nfs/dbraw/zinc/68/66/33/567686633.db2.gz QMEXXBMYXWPNFL-UHFFFAOYSA-N -1 3 389.253 3.110 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)ccc21 ZINC000442224931 567686723 /nfs/dbraw/zinc/68/67/23/567686723.db2.gz WGVZDLHBXCWVPD-UHFFFAOYSA-N -1 3 386.807 3.328 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)c(F)cc3Cl)cc21 ZINC000507578096 567687456 /nfs/dbraw/zinc/68/74/56/567687456.db2.gz CJNRBUZDVWAFOC-UHFFFAOYSA-N -1 3 382.844 3.497 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c(Cl)cc1F ZINC000507579229 567687536 /nfs/dbraw/zinc/68/75/36/567687536.db2.gz CKVQJEMOYRAEQU-UHFFFAOYSA-N -1 3 391.873 3.133 20 0 GGADHM Cc1cn2c(n1)[C@H](CN=c1ncc3scc(Br)c3[n-]1)CCC2 ZINC000573107277 567687601 /nfs/dbraw/zinc/68/76/01/567687601.db2.gz SZSLPNLUIUKCCC-JTQLQIEISA-N -1 3 378.299 3.370 20 0 GGADHM COCCN(CC(=O)[O-])Cc1cc(Br)c(C)c(Br)c1 ZINC000666578579 567688016 /nfs/dbraw/zinc/68/80/16/567688016.db2.gz HNJNJAHTNYGHOQ-UHFFFAOYSA-N -1 3 395.091 3.053 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442245258 567688379 /nfs/dbraw/zinc/68/83/79/567688379.db2.gz XDCMNSWJTUXKJC-UHFFFAOYSA-N -1 3 395.836 3.131 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCN2CCC(C)CC2)s1 ZINC000460447915 567688862 /nfs/dbraw/zinc/68/88/62/567688862.db2.gz LWLPRSAMPOZARV-UHFFFAOYSA-N -1 3 395.388 3.219 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)Cc3ccncc3)s2)cs1 ZINC000531956660 567689477 /nfs/dbraw/zinc/68/94/77/567689477.db2.gz NCGLFCGETHUFLV-NSHDSACASA-N -1 3 379.532 3.485 20 0 GGADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000460435736 567689752 /nfs/dbraw/zinc/68/97/52/567689752.db2.gz GQEOMZRYXBTNFQ-UHFFFAOYSA-N -1 3 385.482 3.328 20 0 GGADHM Cc1nc([N-]C(=O)COc2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1 ZINC000531933674 567690247 /nfs/dbraw/zinc/69/02/47/567690247.db2.gz WGSFTLZSRMODJY-UHFFFAOYSA-N -1 3 377.231 3.322 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cscc1-c1ccccc1 ZINC000573145216 567691433 /nfs/dbraw/zinc/69/14/33/567691433.db2.gz RTSKWALIDQFIHA-UHFFFAOYSA-N -1 3 392.527 3.185 20 0 GGADHM CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(OC)c([O-])c1Br ZINC000597243851 567691763 /nfs/dbraw/zinc/69/17/63/567691763.db2.gz ZCIGQWXFVFBJAK-CXAGYDPISA-N -1 3 386.286 3.375 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000481612462 567692015 /nfs/dbraw/zinc/69/20/15/567692015.db2.gz UNHPJHHUUJVZMS-NWDGAFQWSA-N -1 3 383.466 3.288 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000553852855 567692060 /nfs/dbraw/zinc/69/20/60/567692060.db2.gz LLSKORDSHZQMCT-QWRGUYRKSA-N -1 3 385.379 3.208 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000481613645 567692230 /nfs/dbraw/zinc/69/22/30/567692230.db2.gz OZNOCOLYJRNVRD-WCQYABFASA-N -1 3 383.466 3.288 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000507652059 567692836 /nfs/dbraw/zinc/69/28/36/567692836.db2.gz HEDWUHFEFPECEQ-TZMCWYRMSA-N -1 3 377.539 3.029 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)s1 ZINC000507652052 567693564 /nfs/dbraw/zinc/69/35/64/567693564.db2.gz HEDWUHFEFPECEQ-GXTWGEPZSA-N -1 3 377.539 3.029 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)cc1Cl ZINC000553883478 567694210 /nfs/dbraw/zinc/69/42/10/567694210.db2.gz OQSZINZOJVPBKP-SFYZADRCSA-N -1 3 386.670 3.280 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)cc1Cl ZINC000553883474 567694511 /nfs/dbraw/zinc/69/45/11/567694511.db2.gz OQSZINZOJVPBKP-HTQZYQBOSA-N -1 3 386.670 3.280 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cn1 ZINC000442603559 567696949 /nfs/dbraw/zinc/69/69/49/567696949.db2.gz XXGDYXSBRFGJAT-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM O=C(NCCOCC1CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000573205675 567696847 /nfs/dbraw/zinc/69/68/47/567696847.db2.gz OEKGKNMOUIIZET-UHFFFAOYSA-N -1 3 393.281 3.227 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000553905469 567697285 /nfs/dbraw/zinc/69/72/85/567697285.db2.gz PPZRWNJKESIRGT-QWHCGFSZSA-N -1 3 393.958 3.175 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000553904811 567697615 /nfs/dbraw/zinc/69/76/15/567697615.db2.gz FZKARIHUSNFUEG-AWEZNQCLSA-N -1 3 390.288 3.404 20 0 GGADHM O=C(Cc1ccc(O)cc1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000532110371 567697822 /nfs/dbraw/zinc/69/78/22/567697822.db2.gz DJAHKAWCOSDWFC-UHFFFAOYSA-N -1 3 390.212 3.287 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000553908591 567698414 /nfs/dbraw/zinc/69/84/14/567698414.db2.gz UBLBJXGLATZWBE-HNNXBMFYSA-N -1 3 390.288 3.404 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1cccc(Cl)c1Cl ZINC000532116298 567698985 /nfs/dbraw/zinc/69/89/85/567698985.db2.gz FHJZNOLCPOICTL-UHFFFAOYSA-N -1 3 382.290 3.421 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000553907901 567699050 /nfs/dbraw/zinc/69/90/50/567699050.db2.gz IEMKKUOGBZPSTO-UHFFFAOYSA-N -1 3 380.897 3.219 20 0 GGADHM C[C@H](NC(=O)c1cc(Br)cs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646199610 567699714 /nfs/dbraw/zinc/69/97/14/567699714.db2.gz WMLKTPXLJGZRBC-IUCAKERBSA-N -1 3 398.282 3.004 20 0 GGADHM COc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c(Br)c1[O-] ZINC000573291542 567702099 /nfs/dbraw/zinc/70/20/99/567702099.db2.gz SOSOPAZLHKVHDJ-DNVCBOLYSA-N -1 3 392.293 3.419 20 0 GGADHM CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646264517 567702696 /nfs/dbraw/zinc/70/26/96/567702696.db2.gz KVWMDYNKAQORCV-LBPRGKRZSA-N -1 3 391.273 3.058 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c(C)c1 ZINC000532195227 567702954 /nfs/dbraw/zinc/70/29/54/567702954.db2.gz QVCYRDMJUKKUCS-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@H]1C ZINC000442746520 567703854 /nfs/dbraw/zinc/70/38/54/567703854.db2.gz SFMJJFYIATZTLZ-IAQYHMDHSA-N -1 3 379.503 3.445 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)C(C)(C)c1ccccc1 ZINC000442745245 567704299 /nfs/dbraw/zinc/70/42/99/567704299.db2.gz OOQQGTCWVJDFOP-ZDUSSCGKSA-N -1 3 381.519 3.488 20 0 GGADHM CCCOC1(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)CCCCC1 ZINC000442746756 567704415 /nfs/dbraw/zinc/70/44/15/567704415.db2.gz UHOYRNJCEZEWAB-UHFFFAOYSA-N -1 3 389.539 3.251 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000442755272 567705183 /nfs/dbraw/zinc/70/51/83/567705183.db2.gz XNNIZXRIODPXMU-HUUCEWRRSA-N -1 3 379.503 3.458 20 0 GGADHM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(C)C ZINC000442746817 567705194 /nfs/dbraw/zinc/70/51/94/567705194.db2.gz HVPJXJURACLQHH-STQMWFEESA-N -1 3 389.539 3.105 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000442747350 567705490 /nfs/dbraw/zinc/70/54/90/567705490.db2.gz XJQXELDFUHRXLJ-UHFFFAOYSA-N -1 3 377.846 3.114 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCN1C1CCCCC1 ZINC000442753012 567705742 /nfs/dbraw/zinc/70/57/42/567705742.db2.gz UOHAYXPEQRRERX-HNNXBMFYSA-N -1 3 388.892 3.081 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cccc(CSC)c1 ZINC000442758440 567706374 /nfs/dbraw/zinc/70/63/74/567706374.db2.gz INBANEHPRBOCMS-UHFFFAOYSA-N -1 3 385.532 3.185 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)cc1C ZINC000442758770 567706384 /nfs/dbraw/zinc/70/63/84/567706384.db2.gz JLOUYXWPPCUOOI-CQSZACIVSA-N -1 3 381.519 3.369 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000442764063 567706463 /nfs/dbraw/zinc/70/64/63/567706463.db2.gz DYQFFTYDMRAEQZ-AWEZNQCLSA-N -1 3 397.543 3.152 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(CC)CC ZINC000442762337 567707149 /nfs/dbraw/zinc/70/71/49/567707149.db2.gz QOUVUETYUZBGJP-QWHCGFSZSA-N -1 3 389.539 3.105 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000442769017 567707881 /nfs/dbraw/zinc/70/78/81/567707881.db2.gz LDVFHOCPJJRZMG-UHFFFAOYSA-N -1 3 385.894 3.464 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C)cc2OCC(F)(F)F)s1 ZINC000460888173 567707980 /nfs/dbraw/zinc/70/79/80/567707980.db2.gz BLQWQZCSKKVBED-UHFFFAOYSA-N -1 3 394.440 3.434 20 0 GGADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)CCO1 ZINC000442771487 567708184 /nfs/dbraw/zinc/70/81/84/567708184.db2.gz SECWNCNWQRNXKE-KBPBESRZSA-N -1 3 389.539 3.105 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCCN1C1CCCCC1 ZINC000442770943 567708245 /nfs/dbraw/zinc/70/82/45/567708245.db2.gz YYAYNXURURLXCB-MRXNPFEDSA-N -1 3 388.892 3.081 20 0 GGADHM O=C([O-])CCN(Cc1cc(Br)cc(F)c1F)C1CCOCC1 ZINC000573376180 567709020 /nfs/dbraw/zinc/70/90/20/567709020.db2.gz JOYOXTFWJMDMLJ-UHFFFAOYSA-N -1 3 378.213 3.183 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2s1 ZINC000442790434 567709407 /nfs/dbraw/zinc/70/94/07/567709407.db2.gz GJURYXCWRIMNJU-VIFPVBQESA-N -1 3 382.488 3.184 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)s1 ZINC000460901628 567709575 /nfs/dbraw/zinc/70/95/75/567709575.db2.gz CWQKSAMGJXUJFK-LBPRGKRZSA-N -1 3 375.519 3.331 20 0 GGADHM COc1c(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c(C)nn1C ZINC000460903640 567709655 /nfs/dbraw/zinc/70/96/55/567709655.db2.gz ALNBOLYTCTWIAH-UHFFFAOYSA-N -1 3 379.869 3.022 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(Br)cc2C)s1 ZINC000460928489 567710598 /nfs/dbraw/zinc/71/05/98/567710598.db2.gz AUOLLEXEYDTKQS-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM CCCN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@H]1CCN(C)C1 ZINC000646356310 567710863 /nfs/dbraw/zinc/71/08/63/567710863.db2.gz GGORYPCZZCHJRF-AWEZNQCLSA-N -1 3 379.917 3.228 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000442840843 567711099 /nfs/dbraw/zinc/71/10/99/567711099.db2.gz FBZZCMXDOHYDPQ-LBPRGKRZSA-N -1 3 392.279 3.262 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(SCCOC)cc2)s1 ZINC000460939042 567711152 /nfs/dbraw/zinc/71/11/52/567711152.db2.gz MJIBYSSDOSICIU-GFCCVEGCSA-N -1 3 386.564 3.484 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1Br ZINC000507863791 567711759 /nfs/dbraw/zinc/71/17/59/567711759.db2.gz NABWWYOQXJDUFC-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Br)s1 ZINC000460948117 567711978 /nfs/dbraw/zinc/71/19/78/567711978.db2.gz UTTOGZZRTFIMGR-GFCCVEGCSA-N -1 3 387.324 3.434 20 0 GGADHM CCOc1cc(CCC[N-]S(=O)(=O)c2cnc(CC)s2)ccc1OC ZINC000460954991 567711996 /nfs/dbraw/zinc/71/19/96/567711996.db2.gz YYTFKWYKZSXECL-UHFFFAOYSA-N -1 3 384.523 3.024 20 0 GGADHM CSc1nnc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)[n-]1 ZINC000460954248 567712242 /nfs/dbraw/zinc/71/22/42/567712242.db2.gz XDSZIQBGEUQASK-UHFFFAOYSA-N -1 3 380.783 3.035 20 0 GGADHM CSc1n[n-]c(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000460954248 567712243 /nfs/dbraw/zinc/71/22/43/567712243.db2.gz XDSZIQBGEUQASK-UHFFFAOYSA-N -1 3 380.783 3.035 20 0 GGADHM CSc1nc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)n[n-]1 ZINC000460954248 567712246 /nfs/dbraw/zinc/71/22/46/567712246.db2.gz XDSZIQBGEUQASK-UHFFFAOYSA-N -1 3 380.783 3.035 20 0 GGADHM Cc1nc(C)c([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000442862992 567712422 /nfs/dbraw/zinc/71/24/22/567712422.db2.gz PUIWXSKBVAKIIJ-VIFPVBQESA-N -1 3 391.921 3.182 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000442843993 567712455 /nfs/dbraw/zinc/71/24/55/567712455.db2.gz KZKWANDCAHKGCB-GFCCVEGCSA-N -1 3 392.279 3.262 20 0 GGADHM O=C1[C@H]2c3ccccc3CCN2C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000554143978 567712665 /nfs/dbraw/zinc/71/26/65/567712665.db2.gz CIWHECZUUNKIAA-MRXNPFEDSA-N -1 3 387.233 3.216 20 0 GGADHM O=S(=O)([N-]C1(C2CC2)CC1)c1cc(Br)ccc1Br ZINC000532367579 567712692 /nfs/dbraw/zinc/71/26/92/567712692.db2.gz UFPCGZGYYITRLG-UHFFFAOYSA-N -1 3 395.116 3.433 20 0 GGADHM CCc1cccnc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442863466 567712967 /nfs/dbraw/zinc/71/29/67/567712967.db2.gz REGAILYNGVGIBK-LBPRGKRZSA-N -1 3 385.892 3.066 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)s1 ZINC000460966538 567713096 /nfs/dbraw/zinc/71/30/96/567713096.db2.gz IXNLPVJSTJHXCS-UHFFFAOYSA-N -1 3 375.475 3.371 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F)c1ccccc1 ZINC000507889560 567713208 /nfs/dbraw/zinc/71/32/08/567713208.db2.gz PDUUYMMXZUPYFC-GFCCVEGCSA-N -1 3 389.807 3.317 20 0 GGADHM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000507889805 567713259 /nfs/dbraw/zinc/71/32/59/567713259.db2.gz FFTARPAVBASWJN-UHFFFAOYSA-N -1 3 399.291 3.163 20 0 GGADHM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000507896645 567714951 /nfs/dbraw/zinc/71/49/51/567714951.db2.gz XOAMXDHNQUMOFF-UHFFFAOYSA-N -1 3 391.674 3.188 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccsc2)c1Br ZINC000507903784 567715072 /nfs/dbraw/zinc/71/50/72/567715072.db2.gz HLXXGUIBDCOVOS-UHFFFAOYSA-N -1 3 376.253 3.098 20 0 GGADHM CCCc1nnc([N-]C(=O)c2cc(Br)cc3c2OCCO3)s1 ZINC000666970307 567715907 /nfs/dbraw/zinc/71/59/07/567715907.db2.gz PSRQAZYFQGNLDO-UHFFFAOYSA-N -1 3 384.255 3.277 20 0 GGADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532434023 567715992 /nfs/dbraw/zinc/71/59/92/567715992.db2.gz IRIJGWOWUBUKTO-GDIGMMSISA-N -1 3 395.256 3.359 20 0 GGADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532434026 567716017 /nfs/dbraw/zinc/71/60/17/567716017.db2.gz IRIJGWOWUBUKTO-MDASCCDHSA-N -1 3 395.256 3.359 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000442896152 567716487 /nfs/dbraw/zinc/71/64/87/567716487.db2.gz KHBRWMWLFYSAAR-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)cc1 ZINC000442911954 567716842 /nfs/dbraw/zinc/71/68/42/567716842.db2.gz BSZBFJNLJNRXQZ-UHFFFAOYSA-N -1 3 383.491 3.110 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1I)c1ccsc1 ZINC000507936819 567717378 /nfs/dbraw/zinc/71/73/78/567717378.db2.gz NCCYEWINVVPCJK-UHFFFAOYSA-N -1 3 383.207 3.293 20 0 GGADHM COc1cccc(SCC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000461038370 567718344 /nfs/dbraw/zinc/71/83/44/567718344.db2.gz RYLQPGFAOGIARU-UHFFFAOYSA-N -1 3 380.491 3.106 20 0 GGADHM CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442940390 567719032 /nfs/dbraw/zinc/71/90/32/567719032.db2.gz KPHPRLJWOQCVBU-IAQYHMDHSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442940390 567719037 /nfs/dbraw/zinc/71/90/37/567719037.db2.gz KPHPRLJWOQCVBU-IAQYHMDHSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C(C)(C)C ZINC000573519927 567719563 /nfs/dbraw/zinc/71/95/63/567719563.db2.gz GWWGQJNVYADVJE-OAHLLOKOSA-N -1 3 376.906 3.410 20 0 GGADHM CC[C@@H](C)N(CC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000597856959 567719667 /nfs/dbraw/zinc/71/96/67/567719667.db2.gz RYDWLGXOWMPEJC-SNVBAGLBSA-N -1 3 398.244 3.393 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1[O-] ZINC000442960531 567720485 /nfs/dbraw/zinc/72/04/85/567720485.db2.gz AALCVLJQIBAIPK-CQSZACIVSA-N -1 3 391.265 3.172 20 0 GGADHM CN(CCC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442988708 567721404 /nfs/dbraw/zinc/72/14/04/567721404.db2.gz NJKIKUQRWQXVPS-UHFFFAOYSA-N -1 3 383.905 3.111 20 0 GGADHM CN(CCC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442988708 567721408 /nfs/dbraw/zinc/72/14/08/567721408.db2.gz NJKIKUQRWQXVPS-UHFFFAOYSA-N -1 3 383.905 3.111 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)[n-]c(=O)n1 ZINC000442975383 567721536 /nfs/dbraw/zinc/72/15/36/567721536.db2.gz UBPGISVERCSIIB-UHFFFAOYSA-N -1 3 390.281 3.447 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000507980601 567721679 /nfs/dbraw/zinc/72/16/79/567721679.db2.gz TVUXLCRNVFYGDA-UHFFFAOYSA-N -1 3 383.853 3.498 20 0 GGADHM CSc1ccccc1[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000442975239 567721670 /nfs/dbraw/zinc/72/16/70/567721670.db2.gz JPLOXGWCGYSBQS-RYUDHWBXSA-N -1 3 384.548 3.014 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(C(F)(F)F)s1 ZINC000461108562 567721713 /nfs/dbraw/zinc/72/17/13/567721713.db2.gz QKUDXCAHRYNENF-UHFFFAOYSA-N -1 3 387.202 3.147 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)ccc1[O-] ZINC000442981796 567721914 /nfs/dbraw/zinc/72/19/14/567721914.db2.gz VTBWOLXNELKRJO-CYBMUJFWSA-N -1 3 391.265 3.172 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1(c2ccccn2)CCC1 ZINC000554304256 567721915 /nfs/dbraw/zinc/72/19/15/567721915.db2.gz ONAUTETZJVGIPC-UHFFFAOYSA-N -1 3 390.281 3.471 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c1Cl ZINC000508016577 567722769 /nfs/dbraw/zinc/72/27/69/567722769.db2.gz UFILZDINJAOXEG-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c(F)c1 ZINC000461115391 567722794 /nfs/dbraw/zinc/72/27/94/567722794.db2.gz XCZILPVKWFASFB-HSZRJFAPSA-N -1 3 391.873 3.167 20 0 GGADHM CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443008225 567723153 /nfs/dbraw/zinc/72/31/53/567723153.db2.gz FBIRMHMYUVCAKB-UHFFFAOYSA-N -1 3 383.905 3.109 20 0 GGADHM CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443008225 567723155 /nfs/dbraw/zinc/72/31/55/567723155.db2.gz FBIRMHMYUVCAKB-UHFFFAOYSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000443021133 567724156 /nfs/dbraw/zinc/72/41/56/567724156.db2.gz GOXZHCXSZPJTSY-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508067459 567725217 /nfs/dbraw/zinc/72/52/17/567725217.db2.gz JBSDIEZVQJXQSK-UHFFFAOYSA-N -1 3 391.674 3.445 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1cc(Cl)ccc1Cl ZINC000443037449 567725440 /nfs/dbraw/zinc/72/54/40/567725440.db2.gz NWDKKFKJHSZLJL-ZETCQYMHSA-N -1 3 395.289 3.276 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ncc2C)cc1Br ZINC000532620298 567725534 /nfs/dbraw/zinc/72/55/34/567725534.db2.gz FZJOBAKOGQJFRS-UHFFFAOYSA-N -1 3 385.283 3.082 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)c1cccc(Cl)c1 ZINC000443037105 567725707 /nfs/dbraw/zinc/72/57/07/567725707.db2.gz YTDAONNXLMPDLG-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)COc1ccsc1Cl ZINC000461244898 567725713 /nfs/dbraw/zinc/72/57/13/567725713.db2.gz SAWUAZICZZILQI-UHFFFAOYSA-N -1 3 383.260 3.290 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1cc(F)c(F)c(F)c1 ZINC000573628746 567725890 /nfs/dbraw/zinc/72/58/90/567725890.db2.gz TZEIVAFJERBSKV-UHFFFAOYSA-N -1 3 398.175 3.484 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCC(C)(C)c2ccccc21 ZINC000443030341 567725966 /nfs/dbraw/zinc/72/59/66/567725966.db2.gz SXLGDYGFBFZYIL-ZDUSSCGKSA-N -1 3 380.491 3.021 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cn1 ZINC000508074824 567726221 /nfs/dbraw/zinc/72/62/21/567726221.db2.gz SWOZVYBASNMSAP-UHFFFAOYSA-N -1 3 392.662 3.092 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCC1(c2cccc(Br)c2)CC1 ZINC000554411849 567726649 /nfs/dbraw/zinc/72/66/49/567726649.db2.gz HRQMZCAAZRFDJG-UHFFFAOYSA-N -1 3 385.265 3.372 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1Br ZINC000554420131 567726885 /nfs/dbraw/zinc/72/68/85/567726885.db2.gz FOKGGWHDKKYJDF-LLVKDONJSA-N -1 3 389.253 3.410 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H](c2ccccc2)C1 ZINC000554415249 567726898 /nfs/dbraw/zinc/72/68/98/567726898.db2.gz OUBIRMVLJNOGRL-AWEZNQCLSA-N -1 3 398.937 3.086 20 0 GGADHM CN(Cc1cc(Br)ccc1F)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554412984 567726919 /nfs/dbraw/zinc/72/69/19/567726919.db2.gz RIEVLJVNYZJTOU-UHFFFAOYSA-N -1 3 377.217 3.322 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000554413802 567727016 /nfs/dbraw/zinc/72/70/16/567727016.db2.gz GVLAZMWLJPWMKU-UHFFFAOYSA-N -1 3 384.237 3.322 20 0 GGADHM CC(C)(C)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000443049679 567727259 /nfs/dbraw/zinc/72/72/59/567727259.db2.gz YHMQKAVAHYDTMQ-ZDUSSCGKSA-N -1 3 379.309 3.064 20 0 GGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554437571 567728112 /nfs/dbraw/zinc/72/81/12/567728112.db2.gz XDSCKVXSMXVLNK-UHFFFAOYSA-N -1 3 377.217 3.322 20 0 GGADHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443067331 567728377 /nfs/dbraw/zinc/72/83/77/567728377.db2.gz IZJLUWOJOUJGTE-CYBMUJFWSA-N -1 3 383.491 3.363 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1n[nH]cc1Br ZINC000532679840 567728610 /nfs/dbraw/zinc/72/86/10/567728610.db2.gz LSTQQVIUDMMIRC-UHFFFAOYSA-N -1 3 399.097 3.099 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000443074177 567728759 /nfs/dbraw/zinc/72/87/59/567728759.db2.gz HNNWJQKDTCPAHQ-UHFFFAOYSA-N -1 3 383.516 3.138 20 0 GGADHM CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2Br)c1 ZINC000508092921 567728772 /nfs/dbraw/zinc/72/87/72/567728772.db2.gz BQUYSGSWMQMALT-UHFFFAOYSA-N -1 3 397.294 3.172 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1 ZINC000508095734 567729250 /nfs/dbraw/zinc/72/92/50/567729250.db2.gz OTQCVURNYQAWGW-OAHLLOKOSA-N -1 3 381.416 3.111 20 0 GGADHM CCn1cc(Br)c(=O)c(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000554453145 567729577 /nfs/dbraw/zinc/72/95/77/567729577.db2.gz VXXJQSGYXPNEDZ-UHFFFAOYSA-N -1 3 385.645 3.171 20 0 GGADHM O=C1CCN1c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000443088858 567729741 /nfs/dbraw/zinc/72/97/41/567729741.db2.gz CDHAKMYTBSRSEQ-UHFFFAOYSA-N -1 3 391.301 3.270 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000443084694 567730191 /nfs/dbraw/zinc/73/01/91/567730191.db2.gz ZHPAVLLEEBFISA-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM CC[C@@H](C)CCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000597978014 567730207 /nfs/dbraw/zinc/73/02/07/567730207.db2.gz NKVVNODZUHSRHX-SNVBAGLBSA-N -1 3 398.244 3.299 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000443093256 567731516 /nfs/dbraw/zinc/73/15/16/567731516.db2.gz YGNZDRAPMRDVIC-UHFFFAOYSA-N -1 3 379.865 3.484 20 0 GGADHM CCCCOc1cccc(C[N-]S(=O)(=O)c2ccsc2C(=O)OC)c1 ZINC000443099207 567731748 /nfs/dbraw/zinc/73/17/48/567731748.db2.gz CVYLAVKBTSPICF-UHFFFAOYSA-N -1 3 383.491 3.192 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1Cl ZINC000443113070 567732526 /nfs/dbraw/zinc/73/25/26/567732526.db2.gz SCEIDKXVNINPGS-ZETCQYMHSA-N -1 3 395.289 3.276 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)c1ccccc1 ZINC000443103456 567732577 /nfs/dbraw/zinc/73/25/77/567732577.db2.gz LIAFLTQSZPDIRB-ZDUSSCGKSA-N -1 3 382.507 3.386 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554525970 567733345 /nfs/dbraw/zinc/73/33/45/567733345.db2.gz LJDZBURHLAQXPH-LLVKDONJSA-N -1 3 391.244 3.411 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554534746 567734253 /nfs/dbraw/zinc/73/42/53/567734253.db2.gz RMEHRVRTYWFYDP-LLVKDONJSA-N -1 3 391.244 3.411 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000573750121 567734176 /nfs/dbraw/zinc/73/41/76/567734176.db2.gz KHFGANOPKBHJIO-MRXNPFEDSA-N -1 3 377.238 3.439 20 0 GGADHM COc1cc(C(=O)N[C@H](CCO)c2ccccc2Br)ccc1[O-] ZINC000443119541 567734344 /nfs/dbraw/zinc/73/43/44/567734344.db2.gz YLFFMMDIABYLHW-CQSZACIVSA-N -1 3 380.238 3.017 20 0 GGADHM CCc1ccc([O-])c(C(=O)NCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000623748320 567734805 /nfs/dbraw/zinc/73/48/05/567734805.db2.gz FFNQMVWYWXQEEH-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000646697970 567735832 /nfs/dbraw/zinc/73/58/32/567735832.db2.gz JNDRTEDDXGPAMM-UHLUBPPHSA-N -1 3 379.791 3.367 20 0 GGADHM O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000646697969 567736015 /nfs/dbraw/zinc/73/60/15/567736015.db2.gz JNDRTEDDXGPAMM-FUXBKTLASA-N -1 3 379.791 3.367 20 0 GGADHM C[C@@H](c1ccccc1Br)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000532792722 567736191 /nfs/dbraw/zinc/73/61/91/567736191.db2.gz WQJLTGIOKMGREP-LBPRGKRZSA-N -1 3 391.265 3.104 20 0 GGADHM CN(CCc1nccs1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532796504 567736238 /nfs/dbraw/zinc/73/62/38/567736238.db2.gz OFCHVJTVWOFYQI-UHFFFAOYSA-N -1 3 392.278 3.062 20 0 GGADHM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc(F)cc2nn[n-]c21 ZINC000554566667 567736314 /nfs/dbraw/zinc/73/63/14/567736314.db2.gz HUXCNEXWTDVJLB-YPMHNXCESA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc(F)cc2[n-]nnc21 ZINC000554566667 567736318 /nfs/dbraw/zinc/73/63/18/567736318.db2.gz HUXCNEXWTDVJLB-YPMHNXCESA-N -1 3 375.201 3.145 20 0 GGADHM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc(F)cc2n[n-]nc21 ZINC000554566667 567736324 /nfs/dbraw/zinc/73/63/24/567736324.db2.gz HUXCNEXWTDVJLB-YPMHNXCESA-N -1 3 375.201 3.145 20 0 GGADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000461436070 567736721 /nfs/dbraw/zinc/73/67/21/567736721.db2.gz NAKSGCYNGIBJSK-UHFFFAOYSA-N -1 3 391.873 3.133 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1cc2cc(Cl)ccc2s1 ZINC000443181292 567737523 /nfs/dbraw/zinc/73/75/23/567737523.db2.gz HAFNTSGZCWCOBF-PBHICJAKSA-N -1 3 379.890 3.491 20 0 GGADHM Cc1cc(C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)c(C)o1 ZINC000461473398 567738379 /nfs/dbraw/zinc/73/83/79/567738379.db2.gz SBIOZQZWODSOMQ-UHFFFAOYSA-N -1 3 386.832 3.382 20 0 GGADHM CN(C)Cc1ccccc1NC(=O)c1cc(I)ccc1[O-] ZINC000554611749 567738500 /nfs/dbraw/zinc/73/85/00/567738500.db2.gz SNOPOTDPULKJFS-UHFFFAOYSA-N -1 3 396.228 3.311 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000443201121 567738814 /nfs/dbraw/zinc/73/88/14/567738814.db2.gz VAEFEEABFIYUCF-SECBINFHSA-N -1 3 398.275 3.213 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000443201121 567738817 /nfs/dbraw/zinc/73/88/17/567738817.db2.gz VAEFEEABFIYUCF-SECBINFHSA-N -1 3 398.275 3.213 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(O)CCCCCC2)cc1Cl ZINC000443203942 567738874 /nfs/dbraw/zinc/73/88/74/567738874.db2.gz NDXGAAQUGGVNRK-UHFFFAOYSA-N -1 3 382.309 3.366 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OCCO)cc2)c1Cl ZINC000443196005 567739045 /nfs/dbraw/zinc/73/90/45/567739045.db2.gz ICNQJIBCQRVICG-UHFFFAOYSA-N -1 3 390.288 3.151 20 0 GGADHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000443193490 567739164 /nfs/dbraw/zinc/73/91/64/567739164.db2.gz VTAAJMFNHYBAPI-ZDUSSCGKSA-N -1 3 390.288 3.020 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1csc(-c2ccccc2)n1 ZINC000532866040 567739685 /nfs/dbraw/zinc/73/96/85/567739685.db2.gz HRAISNPJXALJBZ-RHSMWYFYSA-N -1 3 396.559 3.143 20 0 GGADHM O=S(=O)([N-]CCCc1nc(-c2ccncc2)cs1)c1cncc(Cl)c1 ZINC000532854614 567739692 /nfs/dbraw/zinc/73/96/92/567739692.db2.gz KLMBAQWBGOMPPR-UHFFFAOYSA-N -1 3 394.909 3.165 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(Oc3cccc(F)c3)nc2)s1 ZINC000532854715 567739789 /nfs/dbraw/zinc/73/97/89/567739789.db2.gz WJAAXDKWHXAALH-UHFFFAOYSA-N -1 3 379.438 3.256 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c(C)o1 ZINC000532854040 567739801 /nfs/dbraw/zinc/73/98/01/567739801.db2.gz BETPUZXUYUFRAW-LBPRGKRZSA-N -1 3 385.438 3.029 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1csc(-c2ccccc2)n1 ZINC000532866042 567739883 /nfs/dbraw/zinc/73/98/83/567739883.db2.gz HRAISNPJXALJBZ-YOEHRIQHSA-N -1 3 396.559 3.143 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)F)c(Cl)c1 ZINC000443214802 567739913 /nfs/dbraw/zinc/73/99/13/567739913.db2.gz VUCZRRRLFWGYBB-ZBFHGGJFSA-N -1 3 389.851 3.164 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1cc(Br)ccc1F ZINC000443204551 567739995 /nfs/dbraw/zinc/73/99/95/567739995.db2.gz QCDLZKJBYFMRPU-CYBMUJFWSA-N -1 3 386.242 3.260 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)F)c(Cl)c1 ZINC000443214801 567740023 /nfs/dbraw/zinc/74/00/23/567740023.db2.gz VUCZRRRLFWGYBB-HOCLYGCPSA-N -1 3 389.851 3.164 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000532854063 567740155 /nfs/dbraw/zinc/74/01/55/567740155.db2.gz NBILYVPHAQLNMS-UHFFFAOYSA-N -1 3 380.775 3.155 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OC2CCCCC2)c1)c1cncc(Cl)c1 ZINC000532854424 567740253 /nfs/dbraw/zinc/74/02/53/567740253.db2.gz IKWGSZBXOMSULB-UHFFFAOYSA-N -1 3 381.885 3.320 20 0 GGADHM COC(=O)[C@@](C)([N-]S(=O)(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000443219553 567740846 /nfs/dbraw/zinc/74/08/46/567740846.db2.gz ZYMPLDSVIARRDG-HNNXBMFYSA-N -1 3 382.309 3.347 20 0 GGADHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000443217886 567740896 /nfs/dbraw/zinc/74/08/96/567740896.db2.gz AIPJMPHPEJUNPW-CYBMUJFWSA-N -1 3 393.814 3.241 20 0 GGADHM COC(=O)[C@](C)([N-]S(=O)(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000443219554 567740940 /nfs/dbraw/zinc/74/09/40/567740940.db2.gz ZYMPLDSVIARRDG-OAHLLOKOSA-N -1 3 382.309 3.347 20 0 GGADHM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000443239372 567742437 /nfs/dbraw/zinc/74/24/37/567742437.db2.gz XZVQZCXGVNDWDK-CQSZACIVSA-N -1 3 382.507 3.010 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000508298274 567742750 /nfs/dbraw/zinc/74/27/50/567742750.db2.gz IEQDCMOPWQCFMD-ZETCQYMHSA-N -1 3 390.248 3.428 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)sc1Cl ZINC000443227699 567742730 /nfs/dbraw/zinc/74/27/30/567742730.db2.gz VIIYOMZULPBTRI-UHFFFAOYSA-N -1 3 382.841 3.227 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1c[nH]nc1-c1nccs1 ZINC000508338044 567743788 /nfs/dbraw/zinc/74/37/88/567743788.db2.gz FPCKPMJNHGRYNI-UHFFFAOYSA-N -1 3 379.239 3.183 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H](CO)c1ccc(F)cc1 ZINC000443280450 567744808 /nfs/dbraw/zinc/74/48/08/567744808.db2.gz XFOZNAILCKILKU-OAHLLOKOSA-N -1 3 378.252 3.286 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c1Cl ZINC000443278185 567745156 /nfs/dbraw/zinc/74/51/56/567745156.db2.gz QIIOQHXKJOSFIF-ZDUSSCGKSA-N -1 3 378.252 3.453 20 0 GGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443285166 567746154 /nfs/dbraw/zinc/74/61/54/567746154.db2.gz SHADVYWULIDPLQ-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443299556 567746108 /nfs/dbraw/zinc/74/61/08/567746108.db2.gz RSHYQQMQQYHTFF-TVQRCGJNSA-N -1 3 384.723 3.178 20 0 GGADHM CSc1ccc(Cl)c(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000508382157 567746330 /nfs/dbraw/zinc/74/63/30/567746330.db2.gz KRMMNXIGJFWVNF-UHFFFAOYSA-N -1 3 378.881 3.317 20 0 GGADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1ccc(F)cc1Br ZINC000443313028 567747161 /nfs/dbraw/zinc/74/71/61/567747161.db2.gz OKYWEDGIDLCEPX-CQSZACIVSA-N -1 3 394.306 3.198 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443304735 567747741 /nfs/dbraw/zinc/74/77/41/567747741.db2.gz ULMIAHGLPXTFEB-NOZJJQNGSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1cc(Br)cc(C(=O)[N-]c2nc(SC)ns2)c1 ZINC000461785236 567747998 /nfs/dbraw/zinc/74/79/98/567747998.db2.gz JXYJSEJNINNFIL-UHFFFAOYSA-N -1 3 388.268 3.061 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)s1 ZINC000461790786 567748298 /nfs/dbraw/zinc/74/82/98/567748298.db2.gz KBIJTEOGHVRNFI-LBPRGKRZSA-N -1 3 396.372 3.286 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443322089 567748404 /nfs/dbraw/zinc/74/84/04/567748404.db2.gz RHVBMQBZYLQJGX-ONGXEEELSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)CC1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000461792599 567748803 /nfs/dbraw/zinc/74/88/03/567748803.db2.gz WVMOFVZCBLCFDG-LBPRGKRZSA-N -1 3 383.407 3.312 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)s1 ZINC000443334309 567749261 /nfs/dbraw/zinc/74/92/61/567749261.db2.gz LOOFMLPWWYCTKJ-NSHDSACASA-N -1 3 384.361 3.142 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)sc1Br ZINC000443343020 567749561 /nfs/dbraw/zinc/74/95/61/567749561.db2.gz OEILEANRZYZTFN-GXFFZTMASA-N -1 3 382.345 3.039 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c(Cl)c1Cl ZINC000461796968 567749884 /nfs/dbraw/zinc/74/98/84/567749884.db2.gz PMXLSMGQUSCBJR-GFCCVEGCSA-N -1 3 396.336 3.469 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443338226 567750008 /nfs/dbraw/zinc/75/00/08/567750008.db2.gz WZURMAKNQHFMEZ-LLVKDONJSA-N -1 3 398.750 3.426 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000533093127 567750729 /nfs/dbraw/zinc/75/07/29/567750729.db2.gz JDFSVLMAAXUVTH-CYBMUJFWSA-N -1 3 376.261 3.014 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C)c(OC)cc1Br ZINC000461841084 567750686 /nfs/dbraw/zinc/75/06/86/567750686.db2.gz PUGNBJRDPMRKGA-MNOVXSKESA-N -1 3 392.315 3.181 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C ZINC000461860541 567750796 /nfs/dbraw/zinc/75/07/96/567750796.db2.gz VBVRCFFSJMWRBK-MELADBBJSA-N -1 3 375.918 3.468 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@H]2O)c(Cl)c1Cl ZINC000443358640 567750663 /nfs/dbraw/zinc/75/06/63/567750663.db2.gz QLTHZEXWFRAYHK-DOMZBBRYSA-N -1 3 382.309 3.222 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000533093128 567750872 /nfs/dbraw/zinc/75/08/72/567750872.db2.gz JDFSVLMAAXUVTH-ZDUSSCGKSA-N -1 3 376.261 3.014 20 0 GGADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000461823199 567750946 /nfs/dbraw/zinc/75/09/46/567750946.db2.gz XQQZAGHUTUEPKH-RBSFLKMASA-N -1 3 387.929 3.470 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000443345485 567751070 /nfs/dbraw/zinc/75/10/70/567751070.db2.gz KVARYKWKWZFXBJ-QWHCGFSZSA-N -1 3 391.942 3.469 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000443348204 567751271 /nfs/dbraw/zinc/75/12/71/567751271.db2.gz ZVIBPPRKPPZDDR-YPMHNXCESA-N -1 3 379.400 3.120 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2c(F)cccc2Cl)c(F)c1 ZINC000443347237 567751321 /nfs/dbraw/zinc/75/13/21/567751321.db2.gz XIHRVMHYIRSPCX-LBPRGKRZSA-N -1 3 389.851 3.056 20 0 GGADHM COc1ccc(CNc2cn(Cc3ccccc3)nn2)c(Br)c1[O-] ZINC000508484556 567751339 /nfs/dbraw/zinc/75/13/39/567751339.db2.gz SNNMKJYAYAQMGL-UHFFFAOYSA-N -1 3 389.253 3.415 20 0 GGADHM O=S1(=O)[N-]C(CSc2nc3ccc(Cl)cc3[nH]2)=Nc2ccccc21 ZINC000508526136 567751829 /nfs/dbraw/zinc/75/18/29/567751829.db2.gz IZRQPSMGHCSOFB-UHFFFAOYSA-N -1 3 378.866 3.331 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443360194 567751963 /nfs/dbraw/zinc/75/19/63/567751963.db2.gz KWKYPHJSCIESNZ-KGLIPLIRSA-N -1 3 391.942 3.469 20 0 GGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000646951181 567752061 /nfs/dbraw/zinc/75/20/61/567752061.db2.gz DMEDFKCKNHUPTF-UHFFFAOYSA-N -1 3 380.231 3.210 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000461890656 567752425 /nfs/dbraw/zinc/75/24/25/567752425.db2.gz NVSHTPOIFNEGOZ-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443360198 567752562 /nfs/dbraw/zinc/75/25/62/567752562.db2.gz KWKYPHJSCIESNZ-ZIAGYGMSSA-N -1 3 391.942 3.469 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)s1 ZINC000443360783 567752709 /nfs/dbraw/zinc/75/27/09/567752709.db2.gz SSLWSNWSRNPVRQ-WCQYABFASA-N -1 3 382.345 3.039 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443360193 567752820 /nfs/dbraw/zinc/75/28/20/567752820.db2.gz KWKYPHJSCIESNZ-KBPBESRZSA-N -1 3 391.942 3.469 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000533097824 567752852 /nfs/dbraw/zinc/75/28/52/567752852.db2.gz FRSUEYPQIMIOHT-LLVKDONJSA-N -1 3 377.491 3.497 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1cc(Br)ccc1Cl ZINC000443375307 567752897 /nfs/dbraw/zinc/75/28/97/567752897.db2.gz SDATYMSTOZTOMY-CYBMUJFWSA-N -1 3 396.734 3.322 20 0 GGADHM Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000461905447 567752971 /nfs/dbraw/zinc/75/29/71/567752971.db2.gz SZJBAHWQXAUPOI-UHFFFAOYSA-N -1 3 397.375 3.233 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(Br)cc1Cl ZINC000443390884 567753577 /nfs/dbraw/zinc/75/35/77/567753577.db2.gz TXSGGFCCKINSLU-CYBMUJFWSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1csc(-c2ccccc2)n1 ZINC000533149878 567754724 /nfs/dbraw/zinc/75/47/24/567754724.db2.gz VRVJANJYGQIEJV-IMJJTQAJSA-N -1 3 376.503 3.046 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3ccccc3Br)CC2)s1 ZINC000533174758 567756241 /nfs/dbraw/zinc/75/62/41/567756241.db2.gz FPDHMOGQASSVGS-UHFFFAOYSA-N -1 3 387.324 3.224 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000533177213 567756659 /nfs/dbraw/zinc/75/66/59/567756659.db2.gz AFWQQCVPRHVODS-UHFFFAOYSA-N -1 3 390.292 3.130 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Br)c1)c1cncc(Cl)c1 ZINC000533174288 567756741 /nfs/dbraw/zinc/75/67/41/567756741.db2.gz XAAKCMLZWQWDQF-UONOGXRCSA-N -1 3 387.686 3.332 20 0 GGADHM CCSC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000598332165 567757052 /nfs/dbraw/zinc/75/70/52/567757052.db2.gz NXMSCLNBSVONBC-UHFFFAOYSA-N -1 3 381.295 3.306 20 0 GGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1Cl ZINC000443461879 567758526 /nfs/dbraw/zinc/75/85/26/567758526.db2.gz PXOSZHZXNYJGRL-UHFFFAOYSA-N -1 3 398.275 3.293 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000508620365 567758574 /nfs/dbraw/zinc/75/85/74/567758574.db2.gz LYQGGOALNQEPOF-INIZCTEOSA-N -1 3 376.865 3.128 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(C3=CCCC3)cc2)s1 ZINC000554957839 567760079 /nfs/dbraw/zinc/76/00/79/567760079.db2.gz DKMOZJVECKIQCZ-UHFFFAOYSA-N -1 3 376.503 3.154 20 0 GGADHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c(F)cc1F ZINC000443486974 567760811 /nfs/dbraw/zinc/76/08/11/567760811.db2.gz JIMFUUGKZYIRNH-UHFFFAOYSA-N -1 3 392.221 3.220 20 0 GGADHM CN(CCn1cccn1)Cc1cc(Br)c([O-])c(Br)c1 ZINC000667626588 567761173 /nfs/dbraw/zinc/76/11/73/567761173.db2.gz AHKAUOMCGWCMMW-UHFFFAOYSA-N -1 3 389.091 3.246 20 0 GGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443484197 567761489 /nfs/dbraw/zinc/76/14/89/567761489.db2.gz BQMYNIIMQJVJNO-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2cccs2)n1)c1ccc(C(F)(F)F)s1 ZINC000462056929 567763393 /nfs/dbraw/zinc/76/33/93/567763393.db2.gz LHAUAGKGQRUWLP-UHFFFAOYSA-N -1 3 395.409 3.357 20 0 GGADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462059354 567763779 /nfs/dbraw/zinc/76/37/79/567763779.db2.gz NNAJFPIKBYQBPT-SNVBAGLBSA-N -1 3 383.413 3.286 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000533330219 567764089 /nfs/dbraw/zinc/76/40/89/567764089.db2.gz FDXPTGVJSAVOCK-UHFFFAOYSA-N -1 3 380.466 3.215 20 0 GGADHM CCc1ccc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000443909900 567780029 /nfs/dbraw/zinc/78/00/29/567780029.db2.gz XVPCNVPRIDKAAM-UHFFFAOYSA-N -1 3 381.342 3.316 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCCn2ccnc21 ZINC000533331105 567764455 /nfs/dbraw/zinc/76/44/55/567764455.db2.gz XYQSOHSJXZAURI-GFCCVEGCSA-N -1 3 379.869 3.447 20 0 GGADHM Cn1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000462066948 567764763 /nfs/dbraw/zinc/76/47/63/567764763.db2.gz LETISOXXPKDZLU-UHFFFAOYSA-N -1 3 389.424 3.175 20 0 GGADHM Cc1cc(F)cc(-n2cc(C(=O)Nc3ccc(Br)cc3[O-])nn2)c1 ZINC000574242296 567766375 /nfs/dbraw/zinc/76/63/75/567766375.db2.gz PMJAVOZDDJQFHA-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM COc1ccc(NC(=O)c2cc(F)ccc2I)c([O-])c1 ZINC000443565030 567766400 /nfs/dbraw/zinc/76/64/00/567766400.db2.gz DXPONDIHHWLPLA-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM O=S(=O)([N-]c1cccc(-c2nc([C@H]3CCCN3)no2)c1)c1cccs1 ZINC000647152505 567766452 /nfs/dbraw/zinc/76/64/52/567766452.db2.gz HIRCPEKKNHZKLL-CYBMUJFWSA-N -1 3 376.463 3.023 20 0 GGADHM Cc1ccnc([C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C2CC2)n1 ZINC000462073262 567766372 /nfs/dbraw/zinc/76/63/72/567766372.db2.gz KRASOESQRATGMG-GFCCVEGCSA-N -1 3 377.413 3.295 20 0 GGADHM COc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c([O-])c1 ZINC000443564629 567766773 /nfs/dbraw/zinc/76/67/73/567766773.db2.gz BRXUQDVGIVNWNV-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000574256485 567767046 /nfs/dbraw/zinc/76/70/46/567767046.db2.gz KCPAQNFCOBETAQ-SECBINFHSA-N -1 3 378.841 3.137 20 0 GGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462079091 567767148 /nfs/dbraw/zinc/76/71/48/567767148.db2.gz CREZVOJLDOYEQQ-LBPRGKRZSA-N -1 3 379.425 3.341 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CCC(F)(F)F ZINC000462077664 567767272 /nfs/dbraw/zinc/76/72/72/567767272.db2.gz SPBVMPVLRJKOMT-UHFFFAOYSA-N -1 3 398.394 3.320 20 0 GGADHM COc1ccccc1[C@H](N)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000647186151 567767342 /nfs/dbraw/zinc/76/73/42/567767342.db2.gz DOJGABUUOFTMCM-CYBMUJFWSA-N -1 3 389.304 3.289 20 0 GGADHM COc1ccccc1[C@@H](N)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000647186152 567767393 /nfs/dbraw/zinc/76/73/93/567767393.db2.gz DOJGABUUOFTMCM-ZDUSSCGKSA-N -1 3 389.304 3.289 20 0 GGADHM COc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508807030 567767473 /nfs/dbraw/zinc/76/74/73/567767473.db2.gz SNFCLXSWBZSZSJ-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM COc1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)c([O-])c1 ZINC000443581835 567767736 /nfs/dbraw/zinc/76/77/36/567767736.db2.gz XSAXIQMAPUVTMZ-UHFFFAOYSA-N -1 3 380.194 3.187 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)N1CCCCC1 ZINC000508821266 567767954 /nfs/dbraw/zinc/76/79/54/567767954.db2.gz FBLWFNFNUUQQSO-UHFFFAOYSA-N -1 3 398.834 3.040 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1ccc(C(F)(F)F)s1 ZINC000462083099 567768231 /nfs/dbraw/zinc/76/82/31/567768231.db2.gz FPDLBXAOLHNIBM-UHFFFAOYSA-N -1 3 392.424 3.429 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)s1 ZINC000624210037 567768208 /nfs/dbraw/zinc/76/82/08/567768208.db2.gz TUIZCJRXIHGYAQ-ZIAGYGMSSA-N -1 3 380.535 3.417 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000462086737 567768307 /nfs/dbraw/zinc/76/83/07/567768307.db2.gz WLXMXPWDWJZBNT-LBPRGKRZSA-N -1 3 396.431 3.487 20 0 GGADHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462085976 567768360 /nfs/dbraw/zinc/76/83/60/567768360.db2.gz UUMBSNHTNOEGFL-UHFFFAOYSA-N -1 3 381.397 3.133 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000462087815 567768512 /nfs/dbraw/zinc/76/85/12/567768512.db2.gz JSDBPHNKAJOBCE-LBPRGKRZSA-N -1 3 378.441 3.348 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000462087814 567768771 /nfs/dbraw/zinc/76/87/71/567768771.db2.gz JSDBPHNKAJOBCE-GFCCVEGCSA-N -1 3 378.441 3.348 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)CCCC1 ZINC000555119006 567769089 /nfs/dbraw/zinc/76/90/89/567769089.db2.gz AMESVZFNRULUQE-UHFFFAOYSA-N -1 3 397.827 3.417 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1cc(Cl)cc(Cl)c1 ZINC000508828554 567769394 /nfs/dbraw/zinc/76/93/94/567769394.db2.gz VTPHXUZIVQEHDS-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1ccc(C(F)(F)F)s1 ZINC000462092809 567769603 /nfs/dbraw/zinc/76/96/03/567769603.db2.gz YPWPMWLEYVLKOO-UHFFFAOYSA-N -1 3 387.408 3.431 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)OCCCO2)c1ccc(C(F)(F)F)s1 ZINC000462091939 567769692 /nfs/dbraw/zinc/76/96/92/567769692.db2.gz NRGCTRMVICSQKI-UHFFFAOYSA-N -1 3 393.408 3.407 20 0 GGADHM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CC2 ZINC000462092455 567769778 /nfs/dbraw/zinc/76/97/78/567769778.db2.gz XEFMJIAITTXREK-LLVKDONJSA-N -1 3 393.456 3.380 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccsc1 ZINC000462093475 567769914 /nfs/dbraw/zinc/76/99/14/567769914.db2.gz NLZNEMOUUQKXHC-SNVBAGLBSA-N -1 3 384.470 3.410 20 0 GGADHM Cc1ccc(-c2ccc(CNCC[N-]S(=O)(=O)c3cccs3)o2)cc1 ZINC000533466306 567770628 /nfs/dbraw/zinc/77/06/28/567770628.db2.gz VXOPFARGDHXWBM-UHFFFAOYSA-N -1 3 376.503 3.385 20 0 GGADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462096831 567771176 /nfs/dbraw/zinc/77/11/76/567771176.db2.gz GNUWZZKIEFMFCW-SECBINFHSA-N -1 3 394.444 3.295 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)s1 ZINC000462100755 567771250 /nfs/dbraw/zinc/77/12/50/567771250.db2.gz JBJVNZZUYRMLJD-UHFFFAOYSA-N -1 3 393.408 3.059 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1ccc(C(F)(F)F)s1 ZINC000462100398 567771404 /nfs/dbraw/zinc/77/14/04/567771404.db2.gz URBOYUIBTWPZGE-UHFFFAOYSA-N -1 3 386.804 3.173 20 0 GGADHM CCC[C@H]1CCc2nc([N-]C(=O)c3sccc3S(N)(=O)=O)sc2C1 ZINC000667726490 567771652 /nfs/dbraw/zinc/77/16/52/567771652.db2.gz CPFMUSSXEOVZPP-VIFPVBQESA-N -1 3 385.536 3.009 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC ZINC000508877409 567771945 /nfs/dbraw/zinc/77/19/45/567771945.db2.gz XRKKBBSKASESFZ-ZDUSSCGKSA-N -1 3 387.807 3.369 20 0 GGADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000443724353 567772095 /nfs/dbraw/zinc/77/20/95/567772095.db2.gz YVWGETWYXWWAPO-ZDUSSCGKSA-N -1 3 385.532 3.384 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1ccc(C(F)(F)F)s1 ZINC000462102882 567772260 /nfs/dbraw/zinc/77/22/60/567772260.db2.gz NKPQHGOMKOUAOY-UHFFFAOYSA-N -1 3 396.481 3.165 20 0 GGADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000443724351 567772500 /nfs/dbraw/zinc/77/25/00/567772500.db2.gz YVWGETWYXWWAPO-CYBMUJFWSA-N -1 3 385.532 3.384 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c1 ZINC000574322254 567772567 /nfs/dbraw/zinc/77/25/67/567772567.db2.gz LQVHMQDINJVLQK-LBPRGKRZSA-N -1 3 389.857 3.293 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CCCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000462101319 567772597 /nfs/dbraw/zinc/77/25/97/567772597.db2.gz ITOLEZRXSPDLQX-GFCCVEGCSA-N -1 3 382.473 3.310 20 0 GGADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443717834 567772741 /nfs/dbraw/zinc/77/27/41/567772741.db2.gz KWNDHAMEGFUIJC-GFCCVEGCSA-N -1 3 385.532 3.384 20 0 GGADHM O=S(=O)([N-]CCc1c[nH]c2ncccc12)c1ccc(C(F)(F)F)s1 ZINC000462109527 567773367 /nfs/dbraw/zinc/77/33/67/567773367.db2.gz KWACABZCBFDFPS-UHFFFAOYSA-N -1 3 375.397 3.164 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)s1 ZINC000462107494 567773478 /nfs/dbraw/zinc/77/34/78/567773478.db2.gz HOTXLNLLGCXXDH-UHFFFAOYSA-N -1 3 387.351 3.402 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443743769 567773669 /nfs/dbraw/zinc/77/36/69/567773669.db2.gz JRUPVIXPSKPXLX-TVQRCGJNSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C ZINC000443753048 567773743 /nfs/dbraw/zinc/77/37/43/567773743.db2.gz DEZRMUZEJJEEOQ-MRVPVSSYSA-N -1 3 398.706 3.111 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(F)c1I ZINC000533544542 567774158 /nfs/dbraw/zinc/77/41/58/567774158.db2.gz UDNYSJNRFXAWFH-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(F)c1I ZINC000533544542 567774162 /nfs/dbraw/zinc/77/41/62/567774162.db2.gz UDNYSJNRFXAWFH-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(F)c1I ZINC000533544542 567774166 /nfs/dbraw/zinc/77/41/66/567774166.db2.gz UDNYSJNRFXAWFH-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM CC[C@@H](NCc1cc([O-])ccc1Br)C(=O)NCc1cccs1 ZINC000647241062 567774249 /nfs/dbraw/zinc/77/42/49/567774249.db2.gz CKOBBEYVTAZAIM-OAHLLOKOSA-N -1 3 383.311 3.401 20 0 GGADHM COC(=O)c1cc(F)c(Br)cc1[N-]C(=O)c1ncc(F)cc1F ZINC000574363790 567774260 /nfs/dbraw/zinc/77/42/60/567774260.db2.gz SLCXZVYVCLPXSN-UHFFFAOYSA-N -1 3 389.127 3.300 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)oc1C ZINC000574367377 567774358 /nfs/dbraw/zinc/77/43/58/567774358.db2.gz WAALDVICIPKEHU-JTQLQIEISA-N -1 3 375.855 3.055 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(C)(C)c2ccccc21 ZINC000574372200 567774474 /nfs/dbraw/zinc/77/44/74/567774474.db2.gz ABDHJWKTXAZFDF-ZDUSSCGKSA-N -1 3 378.519 3.129 20 0 GGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443770323 567774808 /nfs/dbraw/zinc/77/48/08/567774808.db2.gz JOFORWVSHJTVDR-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)NCC1CCCC1 ZINC000462112444 567774924 /nfs/dbraw/zinc/77/49/24/567774924.db2.gz RGCKQBQPYVKZGM-UHFFFAOYSA-N -1 3 398.472 3.130 20 0 GGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443763100 567775235 /nfs/dbraw/zinc/77/52/35/567775235.db2.gz YRRCLRNUZWYUSQ-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM COc1cccc(Cl)c1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000533562683 567775179 /nfs/dbraw/zinc/77/51/79/567775179.db2.gz VVOCEAWDRRMJEM-UHFFFAOYSA-N -1 3 395.333 3.132 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1ccc(C(F)(F)F)cc1Cl ZINC000443761226 567775278 /nfs/dbraw/zinc/77/52/78/567775278.db2.gz STKLFFYTZUTTLD-LLVKDONJSA-N -1 3 379.791 3.438 20 0 GGADHM CCn1c2ccc(Br)cc2nc1[N-]C(=O)C(=O)N1CCC[C@H](C)C1 ZINC000555248075 567776295 /nfs/dbraw/zinc/77/62/95/567776295.db2.gz KDOIQLUYHYIHDS-NSHDSACASA-N -1 3 393.285 3.016 20 0 GGADHM COCCOc1ncccc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000443881301 567778021 /nfs/dbraw/zinc/77/80/21/567778021.db2.gz QRCDWAAKQBPIKV-UHFFFAOYSA-N -1 3 387.180 3.400 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000443880638 567778322 /nfs/dbraw/zinc/77/83/22/567778322.db2.gz UGPVYLXJPZONRV-UHFFFAOYSA-N -1 3 376.221 3.039 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632866 567778703 /nfs/dbraw/zinc/77/87/03/567778703.db2.gz IRTTVHPHHALLLU-YOEHRIQHSA-N -1 3 379.913 3.066 20 0 GGADHM [O-]c1c(Br)cc(CN[C@@H](CO)CC(F)F)cc1Br ZINC000668063026 567794825 /nfs/dbraw/zinc/79/48/25/567794825.db2.gz BFEIPJXYRBHDKU-SSDOTTSWSA-N -1 3 389.034 3.023 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H]3CCO[C@H]3C)nc(=O)c2c1C ZINC000533625820 567779109 /nfs/dbraw/zinc/77/91/09/567779109.db2.gz ULEVHPKMVIJKKX-DCAQKATOSA-N -1 3 382.507 3.441 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1cncc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000533632608 567779256 /nfs/dbraw/zinc/77/92/56/567779256.db2.gz KUIMRUCSPGJANC-UHFFFAOYSA-N -1 3 388.276 3.086 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)sc1Br ZINC000443894918 567779504 /nfs/dbraw/zinc/77/95/04/567779504.db2.gz IZBCCUDKUMKOEX-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F ZINC000443924291 567779979 /nfs/dbraw/zinc/77/99/79/567779979.db2.gz DJZNZQIHJBESDR-IAQYHMDHSA-N -1 3 378.416 3.069 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2)nc1)c1cncc(Cl)c1 ZINC000533634949 567780039 /nfs/dbraw/zinc/78/00/39/567780039.db2.gz ACKJZESTRLTAOR-UHFFFAOYSA-N -1 3 375.837 3.401 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(F)(F)F ZINC000443933467 567780095 /nfs/dbraw/zinc/78/00/95/567780095.db2.gz DSSINTIAVNVAJQ-BMIGLBTASA-N -1 3 378.416 3.217 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)nc1 ZINC000443933426 567780108 /nfs/dbraw/zinc/78/01/08/567780108.db2.gz GLBKMPMKTZBTIG-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@@H]([C@@H](C)CC)C(F)(F)F)c1C ZINC000443934812 567780117 /nfs/dbraw/zinc/78/01/17/567780117.db2.gz LWUZJDAAQJCEDH-SDBXPKJASA-N -1 3 384.420 3.064 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000555351127 567780242 /nfs/dbraw/zinc/78/02/42/567780242.db2.gz NSCXPDIMIABZCS-LLVKDONJSA-N -1 3 385.379 3.243 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(Br)c(F)c1 ZINC000443925505 567780331 /nfs/dbraw/zinc/78/03/31/567780331.db2.gz IHSGZNCMHXSBTC-UHFFFAOYSA-N -1 3 399.285 3.341 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F ZINC000443924296 567780606 /nfs/dbraw/zinc/78/06/06/567780606.db2.gz DJZNZQIHJBESDR-XHDPSFHLSA-N -1 3 378.416 3.069 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2)c1 ZINC000443939186 567781180 /nfs/dbraw/zinc/78/11/80/567781180.db2.gz JZAGQXHVKVGCTB-LBPRGKRZSA-N -1 3 386.315 3.341 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@]2(O)CCCC2(C)C)s1 ZINC000555384592 567781298 /nfs/dbraw/zinc/78/12/98/567781298.db2.gz YMYLTRZLPNBEHS-ZDUSSCGKSA-N -1 3 382.345 3.039 20 0 GGADHM O=c1c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cccn1CC(F)(F)F ZINC000533690969 567781998 /nfs/dbraw/zinc/78/19/98/567781998.db2.gz FZTOWUILALKVQP-UHFFFAOYSA-N -1 3 384.738 3.004 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000555407088 567782256 /nfs/dbraw/zinc/78/22/56/567782256.db2.gz OSYNACBMPFOYFE-LLVKDONJSA-N -1 3 381.454 3.121 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cc(F)cc(Cl)c1 ZINC000533694958 567782469 /nfs/dbraw/zinc/78/24/69/567782469.db2.gz PGWMLVVWKSDXJJ-UHFFFAOYSA-N -1 3 394.649 3.426 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000555413762 567782619 /nfs/dbraw/zinc/78/26/19/567782619.db2.gz GRNBKDDNJYVGEX-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)nc1C ZINC000443979736 567783141 /nfs/dbraw/zinc/78/31/41/567783141.db2.gz BJJXKXZLYPQWGB-CQSZACIVSA-N -1 3 375.416 3.492 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000533699602 567783312 /nfs/dbraw/zinc/78/33/12/567783312.db2.gz YNFIIQFJYADQLW-ZBEGNZNMSA-N -1 3 385.844 3.308 20 0 GGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000533699597 567783370 /nfs/dbraw/zinc/78/33/70/567783370.db2.gz YNFIIQFJYADQLW-BDJLRTHQSA-N -1 3 385.844 3.308 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1cc(F)cc(Cl)c1 ZINC000533697587 567783404 /nfs/dbraw/zinc/78/34/04/567783404.db2.gz QBFVLNGRIIUQLC-UHFFFAOYSA-N -1 3 388.795 3.475 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)nc1C ZINC000443979731 567783630 /nfs/dbraw/zinc/78/36/30/567783630.db2.gz BJJXKXZLYPQWGB-AWEZNQCLSA-N -1 3 375.416 3.492 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000533709696 567784534 /nfs/dbraw/zinc/78/45/34/567784534.db2.gz FBLPMXNKWRUDGV-HNNXBMFYSA-N -1 3 389.807 3.201 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccco1 ZINC000443988253 567784628 /nfs/dbraw/zinc/78/46/28/567784628.db2.gz LTCDYNWNBMGVKE-GFCCVEGCSA-N -1 3 380.363 3.019 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c[nH]1 ZINC000555459676 567785248 /nfs/dbraw/zinc/78/52/48/567785248.db2.gz WEUKPLJRJCGUEI-UHFFFAOYSA-N -1 3 393.646 3.018 20 0 GGADHM Cc1cc(Br)c(CNCC2(C(=O)[O-])CCOCC2)cc1Cl ZINC000647465151 567786521 /nfs/dbraw/zinc/78/65/21/567786521.db2.gz WQVFDRREFSOYKD-UHFFFAOYSA-N -1 3 376.678 3.382 20 0 GGADHM CSc1ncc(Cl)c(C(=O)[N-]c2cc(C(=O)OC(C)(C)C)ccn2)n1 ZINC000598743544 567786539 /nfs/dbraw/zinc/78/65/39/567786539.db2.gz KEIXIYIHTFDIDB-UHFFFAOYSA-N -1 3 380.857 3.455 20 0 GGADHM CC1(C(=O)[O-])CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000647464189 567786598 /nfs/dbraw/zinc/78/65/98/567786598.db2.gz AFZMVJSWRPIDMV-UHFFFAOYSA-N -1 3 378.270 3.322 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)CCSc1ccccc1Br ZINC000555513203 567786699 /nfs/dbraw/zinc/78/66/99/567786699.db2.gz XSTJKULUCPPBKE-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)CCSc1ccccc1Br ZINC000555513203 567786701 /nfs/dbraw/zinc/78/67/01/567786701.db2.gz XSTJKULUCPPBKE-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1F ZINC000444041720 567786760 /nfs/dbraw/zinc/78/67/60/567786760.db2.gz DLXKIPURLVCYCW-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Br)s1 ZINC000444042773 567786811 /nfs/dbraw/zinc/78/68/11/567786811.db2.gz CQZAIBJFZPUXEC-ZETCQYMHSA-N -1 3 394.250 3.277 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)s1 ZINC000574600010 567786912 /nfs/dbraw/zinc/78/69/12/567786912.db2.gz FEVLRQPJCJFDMW-JTQLQIEISA-N -1 3 388.308 3.274 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000574599961 567787514 /nfs/dbraw/zinc/78/75/14/567787514.db2.gz DLSXIUZEIJYHAJ-SNVBAGLBSA-N -1 3 396.843 3.021 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(F)cc1 ZINC000444063276 567787625 /nfs/dbraw/zinc/78/76/25/567787625.db2.gz DWXFAATYUDHELD-CQSZACIVSA-N -1 3 383.466 3.130 20 0 GGADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2cncc(Br)c2)c(F)c1 ZINC000444059740 567788097 /nfs/dbraw/zinc/78/80/97/567788097.db2.gz VLNIKTJYZNUKLW-UHFFFAOYSA-N -1 3 391.193 3.126 20 0 GGADHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000533820509 567788349 /nfs/dbraw/zinc/78/83/49/567788349.db2.gz UFTGSOJOIVLSBD-OAHLLOKOSA-N -1 3 399.285 3.053 20 0 GGADHM CSc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ncc(C)s2)c1 ZINC000668021670 567788709 /nfs/dbraw/zinc/78/87/09/567788709.db2.gz NKAMWNPJJUZDBT-GFCCVEGCSA-N -1 3 395.531 3.033 20 0 GGADHM CCC(CC)C[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444069356 567788720 /nfs/dbraw/zinc/78/87/20/567788720.db2.gz AFWJGQIBBIKPCO-UHFFFAOYSA-N -1 3 380.304 3.181 20 0 GGADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444076330 567790330 /nfs/dbraw/zinc/79/03/30/567790330.db2.gz RFFVNWWEKJHRNV-UHFFFAOYSA-N -1 3 379.379 3.108 20 0 GGADHM COC1CC(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)C1 ZINC000624606005 567790474 /nfs/dbraw/zinc/79/04/74/567790474.db2.gz HZQUQCOPAGATOT-UHFFFAOYSA-N -1 3 376.214 3.177 20 0 GGADHM COC1CC(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)C1 ZINC000624606005 567790476 /nfs/dbraw/zinc/79/04/76/567790476.db2.gz HZQUQCOPAGATOT-UHFFFAOYSA-N -1 3 376.214 3.177 20 0 GGADHM COC1CC(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000624606005 567790479 /nfs/dbraw/zinc/79/04/79/567790479.db2.gz HZQUQCOPAGATOT-UHFFFAOYSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444077083 567791229 /nfs/dbraw/zinc/79/12/29/567791229.db2.gz WITMQFVTQBPRRF-NSHDSACASA-N -1 3 378.391 3.483 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cc(OC)c(Br)cc2OC)CCC1 ZINC000444077093 567791289 /nfs/dbraw/zinc/79/12/89/567791289.db2.gz WLESFPYMULJGCA-UHFFFAOYSA-N -1 3 392.315 3.325 20 0 GGADHM CCOc1ccc(F)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1F ZINC000533898309 567791869 /nfs/dbraw/zinc/79/18/69/567791869.db2.gz VUWNNAFPASNVAS-UHFFFAOYSA-N -1 3 375.368 3.323 20 0 GGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444094078 567791977 /nfs/dbraw/zinc/79/19/77/567791977.db2.gz XGCBWBUSFLQJDC-UHFFFAOYSA-N -1 3 385.379 3.245 20 0 GGADHM C[C@H](CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C1CC1 ZINC000624637309 567793120 /nfs/dbraw/zinc/79/31/20/567793120.db2.gz CFQDRNUXMYLBTJ-LLVKDONJSA-N -1 3 384.548 3.064 20 0 GGADHM O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cc(F)ccc1[O-] ZINC000533965350 567794640 /nfs/dbraw/zinc/79/46/40/567794640.db2.gz LKSNIKBHYBTPNP-UHFFFAOYSA-N -1 3 396.216 3.444 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC000574731064 567794694 /nfs/dbraw/zinc/79/46/94/567794694.db2.gz AUEAMYXHNCEUOQ-UHFFFAOYSA-N -1 3 381.351 3.114 20 0 GGADHM CCOC(=O)c1ccc(Cl)c(OC)c1[N-]C(=O)c1cnc(C(C)=O)s1 ZINC000598872394 567796174 /nfs/dbraw/zinc/79/61/74/567796174.db2.gz WFGDQHJPKXTERQ-UHFFFAOYSA-N -1 3 382.825 3.437 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000534006725 567797136 /nfs/dbraw/zinc/79/71/36/567797136.db2.gz QFMJUYCPVJKLTH-BONVTDFDSA-N -1 3 380.293 3.394 20 0 GGADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1cccc(Cl)c1F ZINC000444210166 567797348 /nfs/dbraw/zinc/79/73/48/567797348.db2.gz DXPIGNXEWCEFDT-UHFFFAOYSA-N -1 3 388.814 3.032 20 0 GGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 ZINC000444213673 567797635 /nfs/dbraw/zinc/79/76/35/567797635.db2.gz PEGAPYWTRSAVKU-QMMMGPOBSA-N -1 3 380.367 3.126 20 0 GGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000574788871 567797655 /nfs/dbraw/zinc/79/76/55/567797655.db2.gz FUYBWAZKDKEIIN-WDEREUQCSA-N -1 3 376.906 3.410 20 0 GGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000574788869 567797751 /nfs/dbraw/zinc/79/77/51/567797751.db2.gz FUYBWAZKDKEIIN-MNOVXSKESA-N -1 3 376.906 3.410 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1F ZINC000444225065 567797891 /nfs/dbraw/zinc/79/78/91/567797891.db2.gz PEPINXACWYVCPH-ZANVPECISA-N -1 3 389.798 3.241 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)cc(Cl)c1 ZINC000444225081 567798019 /nfs/dbraw/zinc/79/80/19/567798019.db2.gz PIHDGFDMDXNQOV-TVQRCGJNSA-N -1 3 389.798 3.241 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CC1 ZINC000574798301 567798587 /nfs/dbraw/zinc/79/85/87/567798587.db2.gz HGDXKAKQRTUJHX-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)s2)c1 ZINC000444275307 567800591 /nfs/dbraw/zinc/80/05/91/567800591.db2.gz HXJWYWKKTOHBJY-VIFPVBQESA-N -1 3 378.317 3.328 20 0 GGADHM CCc1ccc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c([O-])c1 ZINC000647792605 567801626 /nfs/dbraw/zinc/80/16/26/567801626.db2.gz NGWMLDIAMZMSIP-CQSZACIVSA-N -1 3 391.265 3.406 20 0 GGADHM O=C(CCOc1ccccc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800380 567801895 /nfs/dbraw/zinc/80/18/95/567801895.db2.gz ZYZMYEMFLDKDNY-UHFFFAOYSA-N -1 3 376.210 3.439 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)n1 ZINC000624814674 567802099 /nfs/dbraw/zinc/80/20/99/567802099.db2.gz AAZLBVQBIPBJEJ-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H]2C[C@H]3CCCCN3C2=O)c1Cl ZINC000668230022 567802281 /nfs/dbraw/zinc/80/22/81/567802281.db2.gz ZBFIGKGZXMYVMK-YPMHNXCESA-N -1 3 391.320 3.042 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2Cl)cc1C ZINC000534204933 567803255 /nfs/dbraw/zinc/80/32/55/567803255.db2.gz HBYTWQZVIVNZIK-UHFFFAOYSA-N -1 3 382.869 3.208 20 0 GGADHM O=S(=O)([N-]CCO[C@@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000647885027 567805105 /nfs/dbraw/zinc/80/51/05/567805105.db2.gz AAEGROBRPLWKKU-CYBMUJFWSA-N -1 3 387.807 3.180 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1CCC(OC)CC1 ZINC000668257260 567805283 /nfs/dbraw/zinc/80/52/83/567805283.db2.gz MJZYRSKAQOKVOJ-UHFFFAOYSA-N -1 3 392.315 3.084 20 0 GGADHM Cc1cc2cc[nH]c2cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000444447119 567806127 /nfs/dbraw/zinc/80/61/27/567806127.db2.gz HTGJMOGTWMFAQW-UHFFFAOYSA-N -1 3 383.882 3.108 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000444514571 567806688 /nfs/dbraw/zinc/80/66/88/567806688.db2.gz MVZXFCVBERJEMD-IAQYHMDHSA-N -1 3 376.906 3.030 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3c(O)cccc3Cl)cc2C[C@@H]1C ZINC000647919679 567806707 /nfs/dbraw/zinc/80/67/07/567806707.db2.gz LRWOXEBVLVHOAD-JTQLQIEISA-N -1 3 380.853 3.144 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000534306316 567806784 /nfs/dbraw/zinc/80/67/84/567806784.db2.gz UIFOFBLNWKAUCX-KRWDZBQOSA-N -1 3 388.867 3.341 20 0 GGADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(Br)cnc1C ZINC000574980177 567807048 /nfs/dbraw/zinc/80/70/48/567807048.db2.gz LOMSJCNLWXPDBN-OAHLLOKOSA-N -1 3 399.310 3.152 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)C1(OC)CCC1 ZINC000668325742 567807132 /nfs/dbraw/zinc/80/71/32/567807132.db2.gz SJJLJWBHLJYCII-LLVKDONJSA-N -1 3 392.315 3.084 20 0 GGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3c(O)cccc3Cl)cc21 ZINC000647919337 567807217 /nfs/dbraw/zinc/80/72/17/567807217.db2.gz XUPXJBVBIXBDQD-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cnc(C3CC3)s2)CC1)c1cccs1 ZINC000534335510 567808470 /nfs/dbraw/zinc/80/84/70/567808470.db2.gz ZCWNTWGOQTXWNO-UHFFFAOYSA-N -1 3 383.564 3.025 20 0 GGADHM COCCNc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000444686972 567810549 /nfs/dbraw/zinc/81/05/49/567810549.db2.gz FKALDQUSETYZHU-UHFFFAOYSA-N -1 3 393.281 3.072 20 0 GGADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000534453211 567812424 /nfs/dbraw/zinc/81/24/24/567812424.db2.gz YWSBOSJXTGTTEF-GHMZBOCLSA-N -1 3 378.416 3.243 20 0 GGADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000534453212 567812437 /nfs/dbraw/zinc/81/24/37/567812437.db2.gz YWSBOSJXTGTTEF-MNOVXSKESA-N -1 3 378.416 3.243 20 0 GGADHM O=C(NCc1ccccc1)[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000648066583 567812839 /nfs/dbraw/zinc/81/28/39/567812839.db2.gz LJDCETLDFKRMII-INIZCTEOSA-N -1 3 389.293 3.293 20 0 GGADHM CCOc1cc(CNCC2(S(C)(=O)=O)CCCCC2)cc(Cl)c1[O-] ZINC000668581082 567814237 /nfs/dbraw/zinc/81/42/37/567814237.db2.gz VCNVWYXGNMVVMK-UHFFFAOYSA-N -1 3 375.918 3.281 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000534629531 567815475 /nfs/dbraw/zinc/81/54/75/567815475.db2.gz IJIJCRFLZRWPIR-SNVBAGLBSA-N -1 3 385.816 3.432 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000534630477 567815536 /nfs/dbraw/zinc/81/55/36/567815536.db2.gz ZGNCFFQJNIKPOH-UHFFFAOYSA-N -1 3 383.466 3.073 20 0 GGADHM CC(C)C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000236581512 570245268 /nfs/dbraw/zinc/24/52/68/570245268.db2.gz SFIRKXCDTZJROU-QAPCUYQASA-N -1 3 386.414 3.057 20 0 GGADHM CC(C)C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000236791298 570258990 /nfs/dbraw/zinc/25/89/90/570258990.db2.gz SFIRKXCDTZJROU-CRAIPNDOSA-N -1 3 386.414 3.057 20 0 GGADHM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1(C)C ZINC000012888801 570285574 /nfs/dbraw/zinc/28/55/74/570285574.db2.gz NOPGLBOHBMACQZ-WBVHZDCISA-N -1 3 396.578 3.256 20 0 GGADHM CC(C)=C[C@H]1[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1(C)C ZINC000012888807 570285586 /nfs/dbraw/zinc/28/55/86/570285586.db2.gz NOPGLBOHBMACQZ-RDJZCZTQSA-N -1 3 396.578 3.256 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nnc(-c4cccnc4)n3C)cc(=O)oc12 ZINC000021329220 570290398 /nfs/dbraw/zinc/29/03/98/570290398.db2.gz LJBZUSUTDQCBSV-UHFFFAOYSA-N -1 3 380.429 3.290 20 0 GGADHM CC1CCC(N(C)C(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1 ZINC000012929949 570298776 /nfs/dbraw/zinc/29/87/76/570298776.db2.gz ZKZYLNUYNYJZLS-UHFFFAOYSA-N -1 3 387.524 3.080 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000023078718 570343011 /nfs/dbraw/zinc/34/30/11/570343011.db2.gz BISYMDAPBHVCGT-CRAIPNDOSA-N -1 3 392.496 3.020 20 0 GGADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC1CCCCC1 ZINC000024972808 570400678 /nfs/dbraw/zinc/40/06/78/570400678.db2.gz UUUSVRBRQNXKGG-CYBMUJFWSA-N -1 3 397.504 3.451 20 0 GGADHM Cc1ccccc1CN(C)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000024993519 570402712 /nfs/dbraw/zinc/40/27/12/570402712.db2.gz QKAQUZCZNXEIOK-UHFFFAOYSA-N -1 3 395.503 3.010 20 0 GGADHM O=C([O-])C1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000238012552 570419954 /nfs/dbraw/zinc/41/99/54/570419954.db2.gz LVCMRSWTQYEAKI-LADRWXRNSA-N -1 3 398.425 3.201 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCc4cccc(OC)c43)nc(=O)c2c1C ZINC000026338371 570424834 /nfs/dbraw/zinc/42/48/34/570424834.db2.gz PGKHZKSSVIZEOP-UHFFFAOYSA-N -1 3 399.472 3.041 20 0 GGADHM COc1ccc(COCCCC(=O)Nc2n[n-]c(-c3ccccc3OC)n2)cc1 ZINC000089444065 570453493 /nfs/dbraw/zinc/45/34/93/570453493.db2.gz GIMZWNZPFHQNKO-UHFFFAOYSA-N -1 3 396.447 3.424 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000089532536 570491870 /nfs/dbraw/zinc/49/18/70/570491870.db2.gz PQIKYFRBSVYAQU-GOSISDBHSA-N -1 3 396.472 3.246 20 0 GGADHM COCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2CCC1=O ZINC000022688449 570527006 /nfs/dbraw/zinc/52/70/06/570527006.db2.gz OWFFYELGPIPBCS-UHFFFAOYSA-N -1 3 388.489 3.030 20 0 GGADHM Cc1c([N-]C(=O)c2cc(F)c(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C ZINC000005530718 570629344 /nfs/dbraw/zinc/62/93/44/570629344.db2.gz KGCKFMONNWJEHE-UHFFFAOYSA-N -1 3 379.313 3.293 20 0 GGADHM CC(=O)c1sc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1-c1ccccc1 ZINC000012986900 570737654 /nfs/dbraw/zinc/73/76/54/570737654.db2.gz RAIPBPFLJAXNES-UHFFFAOYSA-N -1 3 396.472 3.284 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000012997023 570739949 /nfs/dbraw/zinc/73/99/49/570739949.db2.gz FUEMMEXESUQCOJ-UHFFFAOYSA-N -1 3 391.443 3.305 20 0 GGADHM O=C(Nc1ccccc1)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000032714515 570753643 /nfs/dbraw/zinc/75/36/43/570753643.db2.gz DGWXAAQPEGDMIX-UHFFFAOYSA-N -1 3 375.428 3.019 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000032753641 570796512 /nfs/dbraw/zinc/79/65/12/570796512.db2.gz XFODLSMEBJVQDH-UHFFFAOYSA-N -1 3 378.392 3.061 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000032753641 570796513 /nfs/dbraw/zinc/79/65/13/570796513.db2.gz XFODLSMEBJVQDH-UHFFFAOYSA-N -1 3 378.392 3.061 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000032753641 570796514 /nfs/dbraw/zinc/79/65/14/570796514.db2.gz XFODLSMEBJVQDH-UHFFFAOYSA-N -1 3 378.392 3.061 20 0 GGADHM CCc1cc2c(CNc3ccc(NS(C)(=O)=O)cc3)cc(=O)oc2cc1[O-] ZINC000012508495 570824126 /nfs/dbraw/zinc/82/41/26/570824126.db2.gz MHKUNKKQGBQEJD-UHFFFAOYSA-N -1 3 388.445 3.045 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccnc3)c2)cc1 ZINC000012525921 570830879 /nfs/dbraw/zinc/83/08/79/570830879.db2.gz MWDWPYIZFWTYEU-UHFFFAOYSA-N -1 3 395.484 3.429 20 0 GGADHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[O-])c2)C1 ZINC000014249882 570837981 /nfs/dbraw/zinc/83/79/81/570837981.db2.gz TXRIHSMXJOEAQI-GASCZTMLSA-N -1 3 388.489 3.311 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C(F)(F)F ZINC000012541645 570842934 /nfs/dbraw/zinc/84/29/34/570842934.db2.gz OGULJUNBOFUVFW-UHFFFAOYSA-N -1 3 386.351 3.146 20 0 GGADHM O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000170602331 570861131 /nfs/dbraw/zinc/86/11/31/570861131.db2.gz AFUKVXFFLZQEDK-IBGZPJMESA-N -1 3 397.377 3.365 20 0 GGADHM CSCC[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000170612795 570870477 /nfs/dbraw/zinc/87/04/77/570870477.db2.gz MGNNDDLVTVUHRQ-OAHLLOKOSA-N -1 3 387.427 3.246 20 0 GGADHM Cc1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000015043409 570873667 /nfs/dbraw/zinc/87/36/67/570873667.db2.gz PGRJOYWTHYMKEC-MRXNPFEDSA-N -1 3 381.476 3.378 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccn3)c2)cc1 ZINC000012604969 570888134 /nfs/dbraw/zinc/88/81/34/570888134.db2.gz UXYXMFAARAWNCT-UHFFFAOYSA-N -1 3 395.484 3.429 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c(F)c1 ZINC000170636854 570936651 /nfs/dbraw/zinc/93/66/51/570936651.db2.gz NGYGCYIDXTYPFR-UHFFFAOYSA-N -1 3 394.424 3.370 20 0 GGADHM CCOC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000012755755 571007082 /nfs/dbraw/zinc/00/70/82/571007082.db2.gz IKDMSJVDJSPAQV-UHFFFAOYSA-N -1 3 387.461 3.020 20 0 GGADHM C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012765328 571015061 /nfs/dbraw/zinc/01/50/61/571015061.db2.gz PLFZWLILNRPSFH-CQSZACIVSA-N -1 3 385.439 3.209 20 0 GGADHM CCOC(=O)[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000012773101 571026497 /nfs/dbraw/zinc/02/64/97/571026497.db2.gz IPFWZBQHPYXMOT-LBPRGKRZSA-N -1 3 387.461 3.020 20 0 GGADHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccc(Cl)cc1 ZINC000012785820 571038847 /nfs/dbraw/zinc/03/88/47/571038847.db2.gz MLTVDHHVLHEVRH-UHFFFAOYSA-N -1 3 387.867 3.335 20 0 GGADHM Cc1ccnc2nc(C(=O)[N-]c3ncc(Cc4ccc(F)c(F)c4)s3)nn21 ZINC000012787126 571039212 /nfs/dbraw/zinc/03/92/12/571039212.db2.gz OMUPTBWMTBDFFC-UHFFFAOYSA-N -1 3 386.387 3.011 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000737944246 598823576 /nfs/dbraw/zinc/82/35/76/598823576.db2.gz YUSGKXNDSAOEOJ-KRWDZBQOSA-N -1 3 395.488 3.029 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000737944246 598823578 /nfs/dbraw/zinc/82/35/78/598823578.db2.gz YUSGKXNDSAOEOJ-KRWDZBQOSA-N -1 3 395.488 3.029 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ncc(-c2ccccc2)o1 ZINC000737526176 598827184 /nfs/dbraw/zinc/82/71/84/598827184.db2.gz XQABSTNWPMKCAT-UHFFFAOYSA-N -1 3 384.403 3.137 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ncc(-c2ccccc2)o1 ZINC000737526176 598827186 /nfs/dbraw/zinc/82/71/86/598827186.db2.gz XQABSTNWPMKCAT-UHFFFAOYSA-N -1 3 384.403 3.137 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000738151406 598829716 /nfs/dbraw/zinc/82/97/16/598829716.db2.gz ICHPVRUVVYLIEU-UHFFFAOYSA-N -1 3 384.758 3.165 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000738151406 598829718 /nfs/dbraw/zinc/82/97/18/598829718.db2.gz ICHPVRUVVYLIEU-UHFFFAOYSA-N -1 3 384.758 3.165 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000737551521 598833509 /nfs/dbraw/zinc/83/35/09/598833509.db2.gz IMWUOFZBXIXHNR-NRFANRHFSA-N -1 3 394.479 3.069 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@](C)(c3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000737551521 598833511 /nfs/dbraw/zinc/83/35/11/598833511.db2.gz IMWUOFZBXIXHNR-NRFANRHFSA-N -1 3 394.479 3.069 20 0 GGADHM Cc1ncccc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737503328 598834193 /nfs/dbraw/zinc/83/41/93/598834193.db2.gz UILVVTGVRIEKPN-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1ncsc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737498985 598834528 /nfs/dbraw/zinc/83/45/28/598834528.db2.gz IGXPEPHLHVUWIJ-UHFFFAOYSA-N -1 3 382.474 3.290 20 0 GGADHM CCOc1ccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000736645093 598835426 /nfs/dbraw/zinc/83/54/26/598835426.db2.gz TVRHCFIPMSMOIN-IBGZPJMESA-N -1 3 395.463 3.332 20 0 GGADHM CCOc1ccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000736645093 598835427 /nfs/dbraw/zinc/83/54/27/598835427.db2.gz TVRHCFIPMSMOIN-IBGZPJMESA-N -1 3 395.463 3.332 20 0 GGADHM Cc1nc(CC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cs1 ZINC000737473619 598836415 /nfs/dbraw/zinc/83/64/15/598836415.db2.gz FAMLMOLSBNZCBS-UHFFFAOYSA-N -1 3 396.501 3.219 20 0 GGADHM CC[C@H]1CCCCCN1C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736399853 598837072 /nfs/dbraw/zinc/83/70/72/598837072.db2.gz KZQAZMMQLGITLD-HNNXBMFYSA-N -1 3 388.541 3.460 20 0 GGADHM CC[C@H]1CCCCCN1C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736399853 598837073 /nfs/dbraw/zinc/83/70/73/598837073.db2.gz KZQAZMMQLGITLD-HNNXBMFYSA-N -1 3 388.541 3.460 20 0 GGADHM CC[C@@H]1CCCCCN1C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736398794 598837428 /nfs/dbraw/zinc/83/74/28/598837428.db2.gz DHXGGNCOCTULOG-MRXNPFEDSA-N -1 3 387.484 3.216 20 0 GGADHM CC[C@@H]1CCCCCN1C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736398794 598837430 /nfs/dbraw/zinc/83/74/30/598837430.db2.gz DHXGGNCOCTULOG-MRXNPFEDSA-N -1 3 387.484 3.216 20 0 GGADHM CCc1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000736702700 598838819 /nfs/dbraw/zinc/83/88/19/598838819.db2.gz VIXJZNRKTWMPEY-ZDUSSCGKSA-N -1 3 383.481 3.297 20 0 GGADHM CCc1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000736702700 598838821 /nfs/dbraw/zinc/83/88/21/598838821.db2.gz VIXJZNRKTWMPEY-ZDUSSCGKSA-N -1 3 383.481 3.297 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335492 598838898 /nfs/dbraw/zinc/83/88/98/598838898.db2.gz UXUBRBGTUGVWSZ-IBGZPJMESA-N -1 3 376.464 3.092 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335492 598838899 /nfs/dbraw/zinc/83/88/99/598838899.db2.gz UXUBRBGTUGVWSZ-IBGZPJMESA-N -1 3 376.464 3.092 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@@H](Oc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113593 598839597 /nfs/dbraw/zinc/83/95/97/598839597.db2.gz QHYKLZCPIWEJRN-DNVCBOLYSA-N -1 3 392.463 3.181 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@@H](Oc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113593 598839599 /nfs/dbraw/zinc/83/95/99/598839599.db2.gz QHYKLZCPIWEJRN-DNVCBOLYSA-N -1 3 392.463 3.181 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)[C@H](C)C1 ZINC000736241434 598840111 /nfs/dbraw/zinc/84/01/11/598840111.db2.gz NJVDSFWRWNVXLG-CLCXKQKWSA-N -1 3 398.511 3.244 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)[C@H](C)C1 ZINC000736241434 598840112 /nfs/dbraw/zinc/84/01/12/598840112.db2.gz NJVDSFWRWNVXLG-CLCXKQKWSA-N -1 3 398.511 3.244 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(F)cc1Cl ZINC000736817452 598840612 /nfs/dbraw/zinc/84/06/12/598840612.db2.gz ALSOQJMHIJOXNK-UHFFFAOYSA-N -1 3 388.834 3.043 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(F)cc1Cl ZINC000736817452 598840613 /nfs/dbraw/zinc/84/06/13/598840613.db2.gz ALSOQJMHIJOXNK-UHFFFAOYSA-N -1 3 388.834 3.043 20 0 GGADHM CC(C)(C)c1cnc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735652803 598843332 /nfs/dbraw/zinc/84/33/32/598843332.db2.gz RZOHBOIORLWMEL-UHFFFAOYSA-N -1 3 387.465 3.129 20 0 GGADHM CC(C)(C)c1cnc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735652803 598843334 /nfs/dbraw/zinc/84/33/34/598843334.db2.gz RZOHBOIORLWMEL-UHFFFAOYSA-N -1 3 387.465 3.129 20 0 GGADHM O=C(OCc1ccc(OCc2ccncc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738236416 598843446 /nfs/dbraw/zinc/84/34/46/598843446.db2.gz YOSNXBQBOUNEDZ-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(OCc1ccc(OCc2ccncc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738236416 598843448 /nfs/dbraw/zinc/84/34/48/598843448.db2.gz YOSNXBQBOUNEDZ-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM CCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736564540 598843533 /nfs/dbraw/zinc/84/35/33/598843533.db2.gz HKQPNTUIHBJSCE-UHFFFAOYSA-N -1 3 397.435 3.374 20 0 GGADHM CCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736564540 598843534 /nfs/dbraw/zinc/84/35/34/598843534.db2.gz HKQPNTUIHBJSCE-UHFFFAOYSA-N -1 3 397.435 3.374 20 0 GGADHM CC(C)(C)c1cnc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000735652365 598844316 /nfs/dbraw/zinc/84/43/16/598844316.db2.gz HWZVQWXITLRNEQ-UHFFFAOYSA-N -1 3 399.451 3.445 20 0 GGADHM CC(C)(C)c1cnc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000735652365 598844317 /nfs/dbraw/zinc/84/43/17/598844317.db2.gz HWZVQWXITLRNEQ-UHFFFAOYSA-N -1 3 399.451 3.445 20 0 GGADHM O=C(OCc1ccc(OCc2ccncc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738234885 598844414 /nfs/dbraw/zinc/84/44/14/598844414.db2.gz GBIAHYRONLRMLH-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM CC[C@H](Nc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736371562 598844845 /nfs/dbraw/zinc/84/48/45/598844845.db2.gz WLWYPCRDYBTZRW-INIZCTEOSA-N -1 3 376.420 3.053 20 0 GGADHM CC[C@H](Nc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736371562 598844846 /nfs/dbraw/zinc/84/48/46/598844846.db2.gz WLWYPCRDYBTZRW-INIZCTEOSA-N -1 3 376.420 3.053 20 0 GGADHM COC[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000736974037 598846910 /nfs/dbraw/zinc/84/69/10/598846910.db2.gz WGHVEKYQVLCTSP-AWEZNQCLSA-N -1 3 395.488 3.126 20 0 GGADHM COC[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000736974037 598846912 /nfs/dbraw/zinc/84/69/12/598846912.db2.gz WGHVEKYQVLCTSP-AWEZNQCLSA-N -1 3 395.488 3.126 20 0 GGADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1C ZINC000737312211 598847071 /nfs/dbraw/zinc/84/70/71/598847071.db2.gz GSICWDQIVWQQKV-UHFFFAOYSA-N -1 3 378.461 3.172 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCc1cc2ccccc2o1 ZINC000737933476 598847583 /nfs/dbraw/zinc/84/75/83/598847583.db2.gz WPCYGFFXZGWALO-UHFFFAOYSA-N -1 3 393.472 3.205 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCc1cc2ccccc2o1 ZINC000737933476 598847584 /nfs/dbraw/zinc/84/75/84/598847584.db2.gz WPCYGFFXZGWALO-UHFFFAOYSA-N -1 3 393.472 3.205 20 0 GGADHM O=C(CCc1ccncc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737859925 598847589 /nfs/dbraw/zinc/84/75/89/598847589.db2.gz DVENEHLGSDXUTF-UHFFFAOYSA-N -1 3 390.472 3.239 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000735489334 598848928 /nfs/dbraw/zinc/84/89/28/598848928.db2.gz WLTKVZWNLQJHKF-UHFFFAOYSA-N -1 3 385.815 3.431 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000735489334 598848929 /nfs/dbraw/zinc/84/89/29/598848929.db2.gz WLTKVZWNLQJHKF-UHFFFAOYSA-N -1 3 385.815 3.431 20 0 GGADHM CCc1cc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)no1 ZINC000736678390 598849580 /nfs/dbraw/zinc/84/95/80/598849580.db2.gz ZGFDAQIIZCQLQY-UHFFFAOYSA-N -1 3 390.403 3.248 20 0 GGADHM CCc1cc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)no1 ZINC000736678390 598849581 /nfs/dbraw/zinc/84/95/81/598849581.db2.gz ZGFDAQIIZCQLQY-UHFFFAOYSA-N -1 3 390.403 3.248 20 0 GGADHM CC(=O)Nc1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1C ZINC000735481785 598850074 /nfs/dbraw/zinc/85/00/74/598850074.db2.gz LSDMEAQSXMCJIB-UHFFFAOYSA-N -1 3 385.815 3.431 20 0 GGADHM CC(=O)Nc1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1C ZINC000735481785 598850075 /nfs/dbraw/zinc/85/00/75/598850075.db2.gz LSDMEAQSXMCJIB-UHFFFAOYSA-N -1 3 385.815 3.431 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(C)c1 ZINC000737014132 598850615 /nfs/dbraw/zinc/85/06/15/598850615.db2.gz GCJYITFDHKJVQR-UHFFFAOYSA-N -1 3 382.424 3.153 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(C)c1 ZINC000737014132 598850616 /nfs/dbraw/zinc/85/06/16/598850616.db2.gz GCJYITFDHKJVQR-UHFFFAOYSA-N -1 3 382.424 3.153 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737014990 598850728 /nfs/dbraw/zinc/85/07/28/598850728.db2.gz LPGIAEJRGUOCOM-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737014990 598850730 /nfs/dbraw/zinc/85/07/30/598850730.db2.gz LPGIAEJRGUOCOM-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000737294057 598851650 /nfs/dbraw/zinc/85/16/50/598851650.db2.gz KWYNALGUWJRYLH-KRWDZBQOSA-N -1 3 394.435 3.377 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000737294057 598851651 /nfs/dbraw/zinc/85/16/51/598851651.db2.gz KWYNALGUWJRYLH-KRWDZBQOSA-N -1 3 394.435 3.377 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000737064746 598852725 /nfs/dbraw/zinc/85/27/25/598852725.db2.gz YVTGRJWXFMLMBY-NRFANRHFSA-N -1 3 392.463 3.461 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000737064746 598852727 /nfs/dbraw/zinc/85/27/27/598852727.db2.gz YVTGRJWXFMLMBY-NRFANRHFSA-N -1 3 392.463 3.461 20 0 GGADHM CC(C)(C)OC(=O)NC1CCC(Nc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000735633127 598856537 /nfs/dbraw/zinc/85/65/37/598856537.db2.gz MWGFIMGJQZJHMU-UHFFFAOYSA-N -1 3 394.426 3.393 20 0 GGADHM CC(C)(C)OC(=O)NC1CCC(Nc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000735633127 598856539 /nfs/dbraw/zinc/85/65/39/598856539.db2.gz MWGFIMGJQZJHMU-UHFFFAOYSA-N -1 3 394.426 3.393 20 0 GGADHM CCCCc1nc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736467193 598857610 /nfs/dbraw/zinc/85/76/10/598857610.db2.gz XTENFQOBSZNSDW-UHFFFAOYSA-N -1 3 380.481 3.281 20 0 GGADHM CCCCc1nc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736467193 598857613 /nfs/dbraw/zinc/85/76/13/598857613.db2.gz XTENFQOBSZNSDW-UHFFFAOYSA-N -1 3 380.481 3.281 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000736901821 598859637 /nfs/dbraw/zinc/85/96/37/598859637.db2.gz PFMOBNSWBUOMAD-LJQANCHMSA-N -1 3 393.422 3.009 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000736901821 598859638 /nfs/dbraw/zinc/85/96/38/598859638.db2.gz PFMOBNSWBUOMAD-LJQANCHMSA-N -1 3 393.422 3.009 20 0 GGADHM Cc1ccc2oc(S[C@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737381191 598861573 /nfs/dbraw/zinc/86/15/73/598861573.db2.gz WRYAFVOLUQWYHS-LLVKDONJSA-N -1 3 380.433 3.436 20 0 GGADHM Cc1ccc2oc(S[C@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737381191 598861574 /nfs/dbraw/zinc/86/15/74/598861574.db2.gz WRYAFVOLUQWYHS-LLVKDONJSA-N -1 3 380.433 3.436 20 0 GGADHM Cc1noc(C)c1[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737541143 598861838 /nfs/dbraw/zinc/86/18/38/598861838.db2.gz YFFZVHXAGRZHAO-SSDOTTSWSA-N -1 3 377.861 3.173 20 0 GGADHM Cc1noc(C)c1[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737541143 598861839 /nfs/dbraw/zinc/86/18/39/598861839.db2.gz YFFZVHXAGRZHAO-SSDOTTSWSA-N -1 3 377.861 3.173 20 0 GGADHM CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735804120 598866694 /nfs/dbraw/zinc/86/66/94/598866694.db2.gz OPZVLSNHZYHBMP-UHFFFAOYSA-N -1 3 383.493 3.089 20 0 GGADHM CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735804120 598866696 /nfs/dbraw/zinc/86/66/96/598866696.db2.gz OPZVLSNHZYHBMP-UHFFFAOYSA-N -1 3 383.493 3.089 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1CC1CCCCC1 ZINC000738348636 598873134 /nfs/dbraw/zinc/87/31/34/598873134.db2.gz VVYWIGIQHWPERR-HNNXBMFYSA-N -1 3 393.488 3.129 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1CC1CCCCC1 ZINC000738348636 598873137 /nfs/dbraw/zinc/87/31/37/598873137.db2.gz VVYWIGIQHWPERR-HNNXBMFYSA-N -1 3 393.488 3.129 20 0 GGADHM C[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)Oc1ccccc1 ZINC000736017233 598876397 /nfs/dbraw/zinc/87/63/97/598876397.db2.gz KMNAYOLYQCWODL-CYBMUJFWSA-N -1 3 383.456 3.012 20 0 GGADHM C[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)Oc1ccccc1 ZINC000736017233 598876398 /nfs/dbraw/zinc/87/63/98/598876398.db2.gz KMNAYOLYQCWODL-CYBMUJFWSA-N -1 3 383.456 3.012 20 0 GGADHM COC(=O)[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895815 598878138 /nfs/dbraw/zinc/87/81/38/598878138.db2.gz GRQUSUFOCQVOFO-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895815 598878139 /nfs/dbraw/zinc/87/81/39/598878139.db2.gz GRQUSUFOCQVOFO-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NC[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894034 598879497 /nfs/dbraw/zinc/87/94/97/598879497.db2.gz FHBUVULPPLOWTH-RTBURBONSA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@H](NC[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894034 598879498 /nfs/dbraw/zinc/87/94/98/598879498.db2.gz FHBUVULPPLOWTH-RTBURBONSA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@H](NCCc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896450 598880176 /nfs/dbraw/zinc/88/01/76/598880176.db2.gz NHVHIJCPBABWMV-HXUWFJFHSA-N -1 3 387.443 3.066 20 0 GGADHM COC(=O)[C@H](NCCc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896450 598880177 /nfs/dbraw/zinc/88/01/77/598880177.db2.gz NHVHIJCPBABWMV-HXUWFJFHSA-N -1 3 387.443 3.066 20 0 GGADHM COC(=O)[C@@H](NC1CCC(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899127 598880503 /nfs/dbraw/zinc/88/05/03/598880503.db2.gz XRTKFSLRHPABND-GQOXECLESA-N -1 3 391.475 3.397 20 0 GGADHM COC(=O)[C@@H](NC1CCC(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899127 598880505 /nfs/dbraw/zinc/88/05/05/598880505.db2.gz XRTKFSLRHPABND-GQOXECLESA-N -1 3 391.475 3.397 20 0 GGADHM COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737142741 598881969 /nfs/dbraw/zinc/88/19/69/598881969.db2.gz PJUBKZFFDRRCBR-GJZGRUSLSA-N -1 3 396.447 3.380 20 0 GGADHM COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737142741 598881971 /nfs/dbraw/zinc/88/19/71/598881971.db2.gz PJUBKZFFDRRCBR-GJZGRUSLSA-N -1 3 396.447 3.380 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1cccc(F)c1F ZINC000736038590 598883047 /nfs/dbraw/zinc/88/30/47/598883047.db2.gz WATQKYYYTNTQNM-LBPRGKRZSA-N -1 3 388.374 3.088 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1cccc(F)c1F ZINC000736038590 598883048 /nfs/dbraw/zinc/88/30/48/598883048.db2.gz WATQKYYYTNTQNM-LBPRGKRZSA-N -1 3 388.374 3.088 20 0 GGADHM COC(=O)[C@@H](NCC(C)(C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898627 598885370 /nfs/dbraw/zinc/88/53/70/598885370.db2.gz VQWPIKHENKDOOE-KRWDZBQOSA-N -1 3 399.882 3.302 20 0 GGADHM COC(=O)[C@@H](NCC(C)(C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898627 598885371 /nfs/dbraw/zinc/88/53/71/598885371.db2.gz VQWPIKHENKDOOE-KRWDZBQOSA-N -1 3 399.882 3.302 20 0 GGADHM O=C(NCc1ccco1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738110421 598886692 /nfs/dbraw/zinc/88/66/92/598886692.db2.gz BCRTVIJRPNQXAI-UHFFFAOYSA-N -1 3 380.433 3.188 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCSc1ccccc1 ZINC000736037422 598887260 /nfs/dbraw/zinc/88/72/60/598887260.db2.gz LBTSEUVKQJMMMS-CQSZACIVSA-N -1 3 384.461 3.360 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCSc1ccccc1 ZINC000736037422 598887262 /nfs/dbraw/zinc/88/72/62/598887262.db2.gz LBTSEUVKQJMMMS-CQSZACIVSA-N -1 3 384.461 3.360 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1c(F)cccc1Cl ZINC000736036439 598888230 /nfs/dbraw/zinc/88/82/30/598888230.db2.gz ANLPWZVLVWGIFP-NSHDSACASA-N -1 3 390.802 3.212 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1c(F)cccc1Cl ZINC000736036439 598888231 /nfs/dbraw/zinc/88/82/31/598888231.db2.gz ANLPWZVLVWGIFP-NSHDSACASA-N -1 3 390.802 3.212 20 0 GGADHM CC(C)[C@@H](C)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735704073 598888619 /nfs/dbraw/zinc/88/86/19/598888619.db2.gz ZOSHZMIPQCGLON-LBPRGKRZSA-N -1 3 385.497 3.328 20 0 GGADHM CC(C)[C@@H](C)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735704073 598888621 /nfs/dbraw/zinc/88/86/21/598888621.db2.gz ZOSHZMIPQCGLON-LBPRGKRZSA-N -1 3 385.497 3.328 20 0 GGADHM CCOc1ccccc1CCC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736654047 598889508 /nfs/dbraw/zinc/88/95/08/598889508.db2.gz PBIFVCWECHTROE-OAHLLOKOSA-N -1 3 396.447 3.209 20 0 GGADHM CCOc1ccccc1CCC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736654047 598889509 /nfs/dbraw/zinc/88/95/09/598889509.db2.gz PBIFVCWECHTROE-OAHLLOKOSA-N -1 3 396.447 3.209 20 0 GGADHM CN(CC(F)F)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736787968 598891076 /nfs/dbraw/zinc/89/10/76/598891076.db2.gz HWJOIUIIZXXEDT-UHFFFAOYSA-N -1 3 378.408 3.002 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C(F)(F)F)CCCCC1 ZINC000736171720 598891903 /nfs/dbraw/zinc/89/19/03/598891903.db2.gz YKEYPYNMCUGUTM-NSHDSACASA-N -1 3 383.374 3.015 20 0 GGADHM COC(=O)[C@H](OC(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900983 598893789 /nfs/dbraw/zinc/89/37/89/598893789.db2.gz VQBOJZPAIMVWEV-GOSISDBHSA-N -1 3 388.383 3.091 20 0 GGADHM COC(=O)[C@H](OC(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900983 598893790 /nfs/dbraw/zinc/89/37/90/598893790.db2.gz VQBOJZPAIMVWEV-GOSISDBHSA-N -1 3 388.383 3.091 20 0 GGADHM O=C1CCCN1CCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000738301964 598900891 /nfs/dbraw/zinc/90/08/91/598900891.db2.gz HLEZELSHGUUQSI-UHFFFAOYSA-N -1 3 380.477 3.033 20 0 GGADHM O=C1CCCN1CCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000738301964 598900892 /nfs/dbraw/zinc/90/08/92/598900892.db2.gz HLEZELSHGUUQSI-UHFFFAOYSA-N -1 3 380.477 3.033 20 0 GGADHM C[C@@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)C1 ZINC000736266849 598901380 /nfs/dbraw/zinc/90/13/80/598901380.db2.gz PNXHIWJTWGRZCZ-CQSZACIVSA-N -1 3 394.504 3.279 20 0 GGADHM C[C@@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)C1 ZINC000736266849 598901381 /nfs/dbraw/zinc/90/13/81/598901381.db2.gz PNXHIWJTWGRZCZ-CQSZACIVSA-N -1 3 394.504 3.279 20 0 GGADHM CC(C)[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735703830 598903514 /nfs/dbraw/zinc/90/35/14/598903514.db2.gz WJBSCGPYESLJJU-CYBMUJFWSA-N -1 3 381.440 3.468 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sc(C)cc1OC(F)F ZINC000737062424 598904479 /nfs/dbraw/zinc/90/44/79/598904479.db2.gz LNFFESCJXWXKCA-UHFFFAOYSA-N -1 3 381.364 3.099 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C)cc1OC(F)F ZINC000737062424 598904480 /nfs/dbraw/zinc/90/44/80/598904480.db2.gz LNFFESCJXWXKCA-UHFFFAOYSA-N -1 3 381.364 3.099 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736348847 598904792 /nfs/dbraw/zinc/90/47/92/598904792.db2.gz CKTVMYDHEHVNST-QGZVFWFLSA-N -1 3 382.512 3.122 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736348847 598904794 /nfs/dbraw/zinc/90/47/94/598904794.db2.gz CKTVMYDHEHVNST-QGZVFWFLSA-N -1 3 382.512 3.122 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccc(F)nc1 ZINC000738173051 598905106 /nfs/dbraw/zinc/90/51/06/598905106.db2.gz AGMBRMWJYCNTRN-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccc(F)nc1 ZINC000738173051 598905108 /nfs/dbraw/zinc/90/51/08/598905108.db2.gz AGMBRMWJYCNTRN-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736406442 598908258 /nfs/dbraw/zinc/90/82/58/598908258.db2.gz LMABERICRDFIGF-SFHVURJKSA-N -1 3 379.489 3.495 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736406442 598908259 /nfs/dbraw/zinc/90/82/59/598908259.db2.gz LMABERICRDFIGF-SFHVURJKSA-N -1 3 379.489 3.495 20 0 GGADHM CS[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737173081 598909597 /nfs/dbraw/zinc/90/95/97/598909597.db2.gz WHECXBDYZGGZRH-GUYCJALGSA-N -1 3 384.461 3.282 20 0 GGADHM CS[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737173081 598909599 /nfs/dbraw/zinc/90/95/99/598909599.db2.gz WHECXBDYZGGZRH-GUYCJALGSA-N -1 3 384.461 3.282 20 0 GGADHM O=C(Nc1cc(Cl)ccn1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738143942 598909654 /nfs/dbraw/zinc/90/96/54/598909654.db2.gz HIMPNWDQCKENLZ-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1Cc2cc(F)ccc2O1 ZINC000738206156 598912016 /nfs/dbraw/zinc/91/20/16/598912016.db2.gz FDIDOIMZLLHAFC-CQSZACIVSA-N -1 3 399.451 3.278 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1Cc2cc(F)ccc2O1 ZINC000738206156 598912018 /nfs/dbraw/zinc/91/20/18/598912018.db2.gz FDIDOIMZLLHAFC-CQSZACIVSA-N -1 3 399.451 3.278 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738349059 598919621 /nfs/dbraw/zinc/91/96/21/598919621.db2.gz YGUOUWZAQMVHBX-QGZVFWFLSA-N -1 3 393.900 3.031 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738349059 598919623 /nfs/dbraw/zinc/91/96/23/598919623.db2.gz YGUOUWZAQMVHBX-QGZVFWFLSA-N -1 3 393.900 3.031 20 0 GGADHM O=C([C@@H]1Cc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000737793484 598924549 /nfs/dbraw/zinc/92/45/49/598924549.db2.gz XPOSCHXKNJBJBY-MRXNPFEDSA-N -1 3 387.365 3.098 20 0 GGADHM O=C([C@@H]1Cc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000737793484 598924550 /nfs/dbraw/zinc/92/45/50/598924550.db2.gz XPOSCHXKNJBJBY-MRXNPFEDSA-N -1 3 387.365 3.098 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737278771 598923363 /nfs/dbraw/zinc/92/33/63/598923363.db2.gz LXPKBJUESVCHOH-UHFFFAOYSA-N -1 3 396.375 3.074 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737278771 598923365 /nfs/dbraw/zinc/92/33/65/598923365.db2.gz LXPKBJUESVCHOH-UHFFFAOYSA-N -1 3 396.375 3.074 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(c1cccc(F)c1)C1CCOCC1 ZINC000737854401 598924395 /nfs/dbraw/zinc/92/43/95/598924395.db2.gz ZTGMVVSNFZUFSJ-UHFFFAOYSA-N -1 3 395.438 3.151 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(c1cccc(F)c1)C1CCOCC1 ZINC000737854401 598924397 /nfs/dbraw/zinc/92/43/97/598924397.db2.gz ZTGMVVSNFZUFSJ-UHFFFAOYSA-N -1 3 395.438 3.151 20 0 GGADHM CC(=O)N(c1nc(COc2ccc(-c3nnn[n-]3)cc2Cl)cs1)C1CC1 ZINC000735460021 598925862 /nfs/dbraw/zinc/92/58/62/598925862.db2.gz BUKNTAULRRLHMT-UHFFFAOYSA-N -1 3 390.856 3.071 20 0 GGADHM CC(=O)N(c1nc(COc2ccc(-c3nn[n-]n3)cc2Cl)cs1)C1CC1 ZINC000735460021 598925865 /nfs/dbraw/zinc/92/58/65/598925865.db2.gz BUKNTAULRRLHMT-UHFFFAOYSA-N -1 3 390.856 3.071 20 0 GGADHM CN(CC(F)(F)F)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736788024 598926442 /nfs/dbraw/zinc/92/64/42/598926442.db2.gz IGKJDOOHVNPSBM-UHFFFAOYSA-N -1 3 391.353 3.080 20 0 GGADHM CN(CC(F)(F)F)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736788024 598926443 /nfs/dbraw/zinc/92/64/43/598926443.db2.gz IGKJDOOHVNPSBM-UHFFFAOYSA-N -1 3 391.353 3.080 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736098377 598928621 /nfs/dbraw/zinc/92/86/21/598928621.db2.gz DRHRZWPFAJTQTQ-IIANPFDCSA-N -1 3 376.445 3.367 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736098377 598928622 /nfs/dbraw/zinc/92/86/22/598928622.db2.gz DRHRZWPFAJTQTQ-IIANPFDCSA-N -1 3 376.445 3.367 20 0 GGADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736105147 598928947 /nfs/dbraw/zinc/92/89/47/598928947.db2.gz LFXNZKSICZEHBD-LBPRGKRZSA-N -1 3 378.461 3.286 20 0 GGADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736105147 598928948 /nfs/dbraw/zinc/92/89/48/598928948.db2.gz LFXNZKSICZEHBD-LBPRGKRZSA-N -1 3 378.461 3.286 20 0 GGADHM O=C(Nc1cccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)c1)c1cccs1 ZINC000738246610 598929652 /nfs/dbraw/zinc/92/96/52/598929652.db2.gz IQJFSBNDKXXBMF-UHFFFAOYSA-N -1 3 391.412 3.400 20 0 GGADHM O=C(Nc1cccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)c1)c1cccs1 ZINC000738246610 598929653 /nfs/dbraw/zinc/92/96/53/598929653.db2.gz IQJFSBNDKXXBMF-UHFFFAOYSA-N -1 3 391.412 3.400 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)Cc1cccc(F)c1 ZINC000735551778 598935856 /nfs/dbraw/zinc/93/58/56/598935856.db2.gz UZKQLXAOJAGWJR-LLVKDONJSA-N -1 3 388.834 3.118 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)Cc1cccc(F)c1 ZINC000735551778 598935857 /nfs/dbraw/zinc/93/58/57/598935857.db2.gz UZKQLXAOJAGWJR-LLVKDONJSA-N -1 3 388.834 3.118 20 0 GGADHM Cc1ccc(-c2nnc(Sc3ncc(-c4nnn[n-]4)cc3Cl)n2C)cc1 ZINC000737288643 598936001 /nfs/dbraw/zinc/93/60/01/598936001.db2.gz MBJJINYNPYVYPN-UHFFFAOYSA-N -1 3 384.856 3.170 20 0 GGADHM Cc1ccc(-c2nnc(Sc3ncc(-c4nn[n-]n4)cc3Cl)n2C)cc1 ZINC000737288643 598936004 /nfs/dbraw/zinc/93/60/04/598936004.db2.gz MBJJINYNPYVYPN-UHFFFAOYSA-N -1 3 384.856 3.170 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(-c2ccncc2)n1C1CC1 ZINC000737566578 598936120 /nfs/dbraw/zinc/93/61/20/598936120.db2.gz VKENVKRSOUNVHR-UHFFFAOYSA-N -1 3 397.855 3.055 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(-c2ccncc2)n1C1CC1 ZINC000737566578 598936121 /nfs/dbraw/zinc/93/61/21/598936121.db2.gz VKENVKRSOUNVHR-UHFFFAOYSA-N -1 3 397.855 3.055 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nnc(-c2ccccc2)o1 ZINC000737032732 598938236 /nfs/dbraw/zinc/93/82/36/598938236.db2.gz PDYXHNPAWNCLGH-UHFFFAOYSA-N -1 3 396.432 3.096 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nnc(-c2ccccc2)o1 ZINC000737032732 598938238 /nfs/dbraw/zinc/93/82/38/598938238.db2.gz PDYXHNPAWNCLGH-UHFFFAOYSA-N -1 3 396.432 3.096 20 0 GGADHM CCCN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@H]1C[C@H](OCC)C1(C)C ZINC000736472559 598939307 /nfs/dbraw/zinc/93/93/07/598939307.db2.gz QAEMNLLIPLYNGK-HOTGVXAUSA-N -1 3 388.541 3.479 20 0 GGADHM CCCN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@H]1C[C@H](OCC)C1(C)C ZINC000736472559 598939309 /nfs/dbraw/zinc/93/93/09/598939309.db2.gz QAEMNLLIPLYNGK-HOTGVXAUSA-N -1 3 388.541 3.479 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737802635 598941643 /nfs/dbraw/zinc/94/16/43/598941643.db2.gz PXWYFYUPALQHCD-SMWWRSMJSA-N -1 3 383.814 3.345 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737802635 598941645 /nfs/dbraw/zinc/94/16/45/598941645.db2.gz PXWYFYUPALQHCD-SMWWRSMJSA-N -1 3 383.814 3.345 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(Cc1ccccc1)C1CC1 ZINC000735733225 598943727 /nfs/dbraw/zinc/94/37/27/598943727.db2.gz FQUBRJLQEIXUBF-HXUWFJFHSA-N -1 3 391.475 3.461 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(Cc1ccccc1)C1CC1 ZINC000735733225 598943729 /nfs/dbraw/zinc/94/37/29/598943729.db2.gz FQUBRJLQEIXUBF-HXUWFJFHSA-N -1 3 391.475 3.461 20 0 GGADHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736354235 598943862 /nfs/dbraw/zinc/94/38/62/598943862.db2.gz ZXKSRGAQBFTDOW-PIGZYNQJSA-N -1 3 387.390 3.180 20 0 GGADHM Fc1cccc(NCCc2nc(-c3cccc(Cl)c3)no2)c1-c1nnn[n-]1 ZINC000737666545 598944955 /nfs/dbraw/zinc/94/49/55/598944955.db2.gz ZGZKTKQFHORBOM-UHFFFAOYSA-N -1 3 385.790 3.364 20 0 GGADHM Fc1cccc(NCCc2nc(-c3cccc(Cl)c3)no2)c1-c1nn[n-]n1 ZINC000737666545 598944956 /nfs/dbraw/zinc/94/49/56/598944956.db2.gz ZGZKTKQFHORBOM-UHFFFAOYSA-N -1 3 385.790 3.364 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1OCC1CC1 ZINC000737796922 598945738 /nfs/dbraw/zinc/94/57/38/598945738.db2.gz CFEMLTMOEIQOOH-JXMROGBWSA-N -1 3 379.395 3.447 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1OCC1CC1 ZINC000737796922 598945740 /nfs/dbraw/zinc/94/57/40/598945740.db2.gz CFEMLTMOEIQOOH-JXMROGBWSA-N -1 3 379.395 3.447 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)c1ccc2ccccc2c1 ZINC000737220115 598947428 /nfs/dbraw/zinc/94/74/28/598947428.db2.gz BRMDUFNAIPARCI-UHFFFAOYSA-N -1 3 379.445 3.153 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)c1ccc2ccccc2c1 ZINC000737220115 598947429 /nfs/dbraw/zinc/94/74/29/598947429.db2.gz BRMDUFNAIPARCI-UHFFFAOYSA-N -1 3 379.445 3.153 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000737295985 598948309 /nfs/dbraw/zinc/94/83/09/598948309.db2.gz DJSHKQSEDODTGF-UHFFFAOYSA-N -1 3 399.520 3.293 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000737295985 598948311 /nfs/dbraw/zinc/94/83/11/598948311.db2.gz DJSHKQSEDODTGF-UHFFFAOYSA-N -1 3 399.520 3.293 20 0 GGADHM C[C@H]1C[C@H](C)N(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736229477 598951560 /nfs/dbraw/zinc/95/15/60/598951560.db2.gz QVUUAEDAQLGNEO-GJZGRUSLSA-N -1 3 377.448 3.316 20 0 GGADHM CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736507540 598952512 /nfs/dbraw/zinc/95/25/12/598952512.db2.gz FDWZITREEIWSJX-ZDUSSCGKSA-N -1 3 389.456 3.086 20 0 GGADHM CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736507540 598952514 /nfs/dbraw/zinc/95/25/14/598952514.db2.gz FDWZITREEIWSJX-ZDUSSCGKSA-N -1 3 389.456 3.086 20 0 GGADHM C[C@@H](Nc1ncccc1I)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137575 598957801 /nfs/dbraw/zinc/95/78/01/598957801.db2.gz NAGRZAXGVRHQES-SECBINFHSA-N -1 3 392.204 3.039 20 0 GGADHM C[C@@H](Nc1ncccc1I)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137575 598957802 /nfs/dbraw/zinc/95/78/02/598957802.db2.gz NAGRZAXGVRHQES-SECBINFHSA-N -1 3 392.204 3.039 20 0 GGADHM C[C@@H](N[C@H](C)c1nc2ccccc2s1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736133268 598960573 /nfs/dbraw/zinc/96/05/73/598960573.db2.gz RABFFMVSMFWDNF-VXGBXAGGSA-N -1 3 393.476 3.154 20 0 GGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737427495 598963712 /nfs/dbraw/zinc/96/37/12/598963712.db2.gz QXOIAMBAMJYXEL-IBGZPJMESA-N -1 3 376.464 3.092 20 0 GGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737427495 598963714 /nfs/dbraw/zinc/96/37/14/598963714.db2.gz QXOIAMBAMJYXEL-IBGZPJMESA-N -1 3 376.464 3.092 20 0 GGADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736287158 598970512 /nfs/dbraw/zinc/97/05/12/598970512.db2.gz DZTSAVLCYVFQTG-ABAIWWIYSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736287158 598970514 /nfs/dbraw/zinc/97/05/14/598970514.db2.gz DZTSAVLCYVFQTG-ABAIWWIYSA-N -1 3 392.891 3.260 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000736509349 598970656 /nfs/dbraw/zinc/97/06/56/598970656.db2.gz VKUSINCJYFTLCM-HNNXBMFYSA-N -1 3 385.493 3.255 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000736509349 598970657 /nfs/dbraw/zinc/97/06/57/598970657.db2.gz VKUSINCJYFTLCM-HNNXBMFYSA-N -1 3 385.493 3.255 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000736507973 598971229 /nfs/dbraw/zinc/97/12/29/598971229.db2.gz HSIOHZLTFMQKAT-HNNXBMFYSA-N -1 3 385.493 3.255 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000736507973 598971230 /nfs/dbraw/zinc/97/12/30/598971230.db2.gz HSIOHZLTFMQKAT-HNNXBMFYSA-N -1 3 385.493 3.255 20 0 GGADHM Fc1ccc(N2CCOCC2)c(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737660114 598975722 /nfs/dbraw/zinc/97/57/22/598975722.db2.gz NEBPYHJJDXGCTO-UHFFFAOYSA-N -1 3 388.834 3.108 20 0 GGADHM Fc1ccc(N2CCOCC2)c(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737660114 598975723 /nfs/dbraw/zinc/97/57/23/598975723.db2.gz NEBPYHJJDXGCTO-UHFFFAOYSA-N -1 3 388.834 3.108 20 0 GGADHM C/C=C/c1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000736304140 598977516 /nfs/dbraw/zinc/97/75/16/598977516.db2.gz LIVWCEMFFGSAOE-SNAWJCMRSA-N -1 3 382.420 3.375 20 0 GGADHM C/C=C/c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2OC)c(OC)c1 ZINC000736304140 598977518 /nfs/dbraw/zinc/97/75/18/598977518.db2.gz LIVWCEMFFGSAOE-SNAWJCMRSA-N -1 3 382.420 3.375 20 0 GGADHM OCCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000738394349 598978722 /nfs/dbraw/zinc/97/87/22/598978722.db2.gz QRDVNUCRNKUWHV-CYBMUJFWSA-N -1 3 378.358 3.206 20 0 GGADHM OCCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000738394349 598978723 /nfs/dbraw/zinc/97/87/23/598978723.db2.gz QRDVNUCRNKUWHV-CYBMUJFWSA-N -1 3 378.358 3.206 20 0 GGADHM O=C(c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCCCC1 ZINC000738265719 598979027 /nfs/dbraw/zinc/97/90/27/598979027.db2.gz BQBPHJLONFMMBP-UHFFFAOYSA-N -1 3 377.448 3.462 20 0 GGADHM O=C(OCc1cccnc1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738235161 598979742 /nfs/dbraw/zinc/97/97/42/598979742.db2.gz OCZGKLVWOAUVOC-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737818609 598980542 /nfs/dbraw/zinc/98/05/42/598980542.db2.gz IONCJODNEBIKFM-HNNXBMFYSA-N -1 3 395.488 3.450 20 0 GGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737818609 598980544 /nfs/dbraw/zinc/98/05/44/598980544.db2.gz IONCJODNEBIKFM-HNNXBMFYSA-N -1 3 395.488 3.450 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Oc1ccncc1 ZINC000522342049 598987114 /nfs/dbraw/zinc/98/71/14/598987114.db2.gz FYMICZAFIRXDJF-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Oc1ccncc1 ZINC000522342049 598987116 /nfs/dbraw/zinc/98/71/16/598987116.db2.gz FYMICZAFIRXDJF-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000737221783 598996045 /nfs/dbraw/zinc/99/60/45/598996045.db2.gz RGCBSWAYCYRUOX-UHFFFAOYSA-N -1 3 385.493 3.119 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000737221783 598996047 /nfs/dbraw/zinc/99/60/47/598996047.db2.gz RGCBSWAYCYRUOX-UHFFFAOYSA-N -1 3 385.493 3.119 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000735905961 598996766 /nfs/dbraw/zinc/99/67/66/598996766.db2.gz NZHJLSGDSLOFGL-UHFFFAOYSA-N -1 3 394.410 3.456 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000735905961 598996768 /nfs/dbraw/zinc/99/67/68/598996768.db2.gz NZHJLSGDSLOFGL-UHFFFAOYSA-N -1 3 394.410 3.456 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000737220494 599000020 /nfs/dbraw/zinc/00/00/20/599000020.db2.gz DXWSNXGKBCLMRT-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000737220494 599000022 /nfs/dbraw/zinc/00/00/22/599000022.db2.gz DXWSNXGKBCLMRT-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1cccc(CN(CC(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000737393705 599002532 /nfs/dbraw/zinc/00/25/32/599002532.db2.gz KBLAJVKOJJKRAI-UHFFFAOYSA-N -1 3 399.520 3.330 20 0 GGADHM Cc1cccc(CN(CC(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737393705 599002534 /nfs/dbraw/zinc/00/25/34/599002534.db2.gz KBLAJVKOJJKRAI-UHFFFAOYSA-N -1 3 399.520 3.330 20 0 GGADHM CCN(CC1CC1)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736535013 599005489 /nfs/dbraw/zinc/00/54/89/599005489.db2.gz PLWUKLHTRTXAIT-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM C[C@H](CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)(C)C ZINC000736026087 599006780 /nfs/dbraw/zinc/00/67/80/599006780.db2.gz NOQXAMLFUDZEOU-CYBMUJFWSA-N -1 3 380.452 3.466 20 0 GGADHM C[C@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)(C)C ZINC000736026087 599006782 /nfs/dbraw/zinc/00/67/82/599006782.db2.gz NOQXAMLFUDZEOU-CYBMUJFWSA-N -1 3 380.452 3.466 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000737802066 599009450 /nfs/dbraw/zinc/00/94/50/599009450.db2.gz VRMLAXNJLRIPQV-ZJVMWOEPSA-N -1 3 389.459 3.164 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000737802066 599009451 /nfs/dbraw/zinc/00/94/51/599009451.db2.gz VRMLAXNJLRIPQV-ZJVMWOEPSA-N -1 3 389.459 3.164 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000736397077 599012804 /nfs/dbraw/zinc/01/28/04/599012804.db2.gz RPSZCTHWCIFMER-GOEBONIOSA-N -1 3 388.541 3.368 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000736397077 599012806 /nfs/dbraw/zinc/01/28/06/599012806.db2.gz RPSZCTHWCIFMER-GOEBONIOSA-N -1 3 388.541 3.368 20 0 GGADHM CC[C@H](NC(=S)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000736368201 599013695 /nfs/dbraw/zinc/01/36/95/599013695.db2.gz ARNXMFNSTURUSW-ZDUSSCGKSA-N -1 3 376.486 3.183 20 0 GGADHM CC[C@H](NC(=S)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000736368201 599013697 /nfs/dbraw/zinc/01/36/97/599013697.db2.gz ARNXMFNSTURUSW-ZDUSSCGKSA-N -1 3 376.486 3.183 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000737851781 599016185 /nfs/dbraw/zinc/01/61/85/599016185.db2.gz JGVRNPIZMGQGHI-UHFFFAOYSA-N -1 3 395.438 3.008 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000737851781 599016187 /nfs/dbraw/zinc/01/61/87/599016187.db2.gz JGVRNPIZMGQGHI-UHFFFAOYSA-N -1 3 395.438 3.008 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737190330 599016824 /nfs/dbraw/zinc/01/68/24/599016824.db2.gz FYFATZMMOPWEMY-LLVKDONJSA-N -1 3 388.424 3.238 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737190330 599016826 /nfs/dbraw/zinc/01/68/26/599016826.db2.gz FYFATZMMOPWEMY-LLVKDONJSA-N -1 3 388.424 3.238 20 0 GGADHM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736146316 599022098 /nfs/dbraw/zinc/02/20/98/599022098.db2.gz ZQWXQKZWALAMMX-ZIAGYGMSSA-N -1 3 396.451 3.188 20 0 GGADHM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736146316 599022100 /nfs/dbraw/zinc/02/21/00/599022100.db2.gz ZQWXQKZWALAMMX-ZIAGYGMSSA-N -1 3 396.451 3.188 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738167162 599022965 /nfs/dbraw/zinc/02/29/65/599022965.db2.gz NABRINLKDBUVPN-QMTHXVAHSA-N -1 3 390.781 3.476 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738167162 599022967 /nfs/dbraw/zinc/02/29/67/599022967.db2.gz NABRINLKDBUVPN-QMTHXVAHSA-N -1 3 390.781 3.476 20 0 GGADHM O=C(Oc1ccc(OCc2ccncc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738246515 599027413 /nfs/dbraw/zinc/02/74/13/599027413.db2.gz FQSHQXHCBCOLMG-UHFFFAOYSA-N -1 3 379.401 3.121 20 0 GGADHM Cc1[nH]nc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)c1C ZINC000737453645 599028150 /nfs/dbraw/zinc/02/81/50/599028150.db2.gz QISPVZCDMLWZRJ-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1[nH]nc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)c1C ZINC000737453645 599028151 /nfs/dbraw/zinc/02/81/51/599028151.db2.gz QISPVZCDMLWZRJ-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1c(NCC(=O)N(C)[C@H]2CCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822115364 607257259 /nfs/dbraw/zinc/25/72/59/607257259.db2.gz DKTNHWHKCLVLRJ-IBGZPJMESA-N -1 3 376.464 3.123 20 0 GGADHM CCN1CCCC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736570424 599030848 /nfs/dbraw/zinc/03/08/48/599030848.db2.gz NEHLXPKZNGZDQH-FQEVSTJZSA-N -1 3 391.475 3.451 20 0 GGADHM CCn1c(-c2cnn(C)c2)csc1=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736712255 599031189 /nfs/dbraw/zinc/03/11/89/599031189.db2.gz AJXFHSQDQIEXLO-UHFFFAOYSA-N -1 3 386.872 3.036 20 0 GGADHM CCn1c(-c2cnn(C)c2)csc1=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736712255 599031190 /nfs/dbraw/zinc/03/11/90/599031190.db2.gz AJXFHSQDQIEXLO-UHFFFAOYSA-N -1 3 386.872 3.036 20 0 GGADHM Cc1c(NCC(=O)N(C)[C@H]2CCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822115364 607257260 /nfs/dbraw/zinc/25/72/60/607257260.db2.gz DKTNHWHKCLVLRJ-IBGZPJMESA-N -1 3 376.464 3.123 20 0 GGADHM COc1ccc(Cl)cc1NCCC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737099651 599031625 /nfs/dbraw/zinc/03/16/25/599031625.db2.gz MKKVRMGARPVCEY-UHFFFAOYSA-N -1 3 387.827 3.074 20 0 GGADHM COc1ccc(Cl)cc1NCCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737099651 599031628 /nfs/dbraw/zinc/03/16/28/599031628.db2.gz MKKVRMGARPVCEY-UHFFFAOYSA-N -1 3 387.827 3.074 20 0 GGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738207217 599035382 /nfs/dbraw/zinc/03/53/82/599035382.db2.gz FSQKNZJADKJSSQ-UHFFFAOYSA-N -1 3 385.840 3.079 20 0 GGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000738207217 599035384 /nfs/dbraw/zinc/03/53/84/599035384.db2.gz FSQKNZJADKJSSQ-UHFFFAOYSA-N -1 3 385.840 3.079 20 0 GGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c2ccccn12 ZINC000737468316 599035810 /nfs/dbraw/zinc/03/58/10/599035810.db2.gz VKWPZEZVNPLGMI-JTQLQIEISA-N -1 3 393.476 3.261 20 0 GGADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c2ccccn12 ZINC000737468316 599035813 /nfs/dbraw/zinc/03/58/13/599035813.db2.gz VKWPZEZVNPLGMI-JTQLQIEISA-N -1 3 393.476 3.261 20 0 GGADHM Cc1cccc([C@@H](C)CNC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737388765 599040235 /nfs/dbraw/zinc/04/02/35/599040235.db2.gz LPBLQZHBWBRWIE-OXJNMPFZSA-N -1 3 393.491 3.498 20 0 GGADHM Cc1cccc([C@@H](C)CNC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737388765 599040238 /nfs/dbraw/zinc/04/02/38/599040238.db2.gz LPBLQZHBWBRWIE-OXJNMPFZSA-N -1 3 393.491 3.498 20 0 GGADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)N(C)c1ccccc1 ZINC000736026465 599042948 /nfs/dbraw/zinc/04/29/48/599042948.db2.gz OHTIQRDEEDFIEI-NSHDSACASA-N -1 3 377.374 3.217 20 0 GGADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)N(C)c1ccccc1 ZINC000736026465 599042951 /nfs/dbraw/zinc/04/29/51/599042951.db2.gz OHTIQRDEEDFIEI-NSHDSACASA-N -1 3 377.374 3.217 20 0 GGADHM COc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1OC ZINC000737075654 599047197 /nfs/dbraw/zinc/04/71/97/599047197.db2.gz NSLHNSFGXHRTNK-VIFPVBQESA-N -1 3 394.357 3.471 20 0 GGADHM COc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1OC ZINC000737075654 599047199 /nfs/dbraw/zinc/04/71/99/599047199.db2.gz NSLHNSFGXHRTNK-VIFPVBQESA-N -1 3 394.357 3.471 20 0 GGADHM Cc1csc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000737454918 599051526 /nfs/dbraw/zinc/05/15/26/599051526.db2.gz JJVLZZHYQPEVMS-SNVBAGLBSA-N -1 3 381.387 3.387 20 0 GGADHM Cc1csc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000737454918 599051528 /nfs/dbraw/zinc/05/15/28/599051528.db2.gz JJVLZZHYQPEVMS-SNVBAGLBSA-N -1 3 381.387 3.387 20 0 GGADHM CCOC(=O)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736602445 599049059 /nfs/dbraw/zinc/04/90/59/599049059.db2.gz KNBPMHYVFQHRML-UHFFFAOYSA-N -1 3 392.341 3.069 20 0 GGADHM CCOC(=O)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736602445 599049062 /nfs/dbraw/zinc/04/90/62/599049062.db2.gz KNBPMHYVFQHRML-UHFFFAOYSA-N -1 3 392.341 3.069 20 0 GGADHM C[C@@H]1c2ccccc2OCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736302877 599050287 /nfs/dbraw/zinc/05/02/87/599050287.db2.gz HWDXJXVCJMRDML-SNVBAGLBSA-N -1 3 376.342 3.241 20 0 GGADHM C[C@@H]1c2ccccc2OCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736302877 599050290 /nfs/dbraw/zinc/05/02/90/599050290.db2.gz HWDXJXVCJMRDML-SNVBAGLBSA-N -1 3 376.342 3.241 20 0 GGADHM COc1ccc2c(c1)CCCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C2 ZINC000737120064 599054483 /nfs/dbraw/zinc/05/44/83/599054483.db2.gz ZIOVOMQDTPEIHE-UHFFFAOYSA-N -1 3 390.369 3.242 20 0 GGADHM COc1ccc2c(c1)CCCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C2 ZINC000737120064 599054485 /nfs/dbraw/zinc/05/44/85/599054485.db2.gz ZIOVOMQDTPEIHE-UHFFFAOYSA-N -1 3 390.369 3.242 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000737636489 599057273 /nfs/dbraw/zinc/05/72/73/599057273.db2.gz UQOZSYBMUJDXHG-UHFFFAOYSA-N -1 3 394.748 3.422 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@H]2OCCc3ccccc32)n1 ZINC000737636475 599057698 /nfs/dbraw/zinc/05/76/98/599057698.db2.gz UGGLLIDTQHLDOS-CYBMUJFWSA-N -1 3 376.342 3.006 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@H]2OCCc3ccccc32)n1 ZINC000737636475 599057701 /nfs/dbraw/zinc/05/77/01/599057701.db2.gz UGGLLIDTQHLDOS-CYBMUJFWSA-N -1 3 376.342 3.006 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000737632140 599059774 /nfs/dbraw/zinc/05/97/74/599059774.db2.gz KPYJQAULJAINDX-GFCCVEGCSA-N -1 3 389.385 3.361 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000737632140 599059777 /nfs/dbraw/zinc/05/97/77/599059777.db2.gz KPYJQAULJAINDX-GFCCVEGCSA-N -1 3 389.385 3.361 20 0 GGADHM CC(C)[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)NC(=O)OC(C)(C)C ZINC000735711823 599062765 /nfs/dbraw/zinc/06/27/65/599062765.db2.gz YMNYAXSSDPVPEE-CYBMUJFWSA-N -1 3 382.415 3.106 20 0 GGADHM CC(C)[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000735711823 599062767 /nfs/dbraw/zinc/06/27/67/599062767.db2.gz YMNYAXSSDPVPEE-CYBMUJFWSA-N -1 3 382.415 3.106 20 0 GGADHM COC(=O)C[C@H](C)Sc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000736912009 599063052 /nfs/dbraw/zinc/06/30/52/599063052.db2.gz OAYAXKLHDUKOOW-NSHDSACASA-N -1 3 382.449 3.020 20 0 GGADHM COC(=O)C[C@H](C)Sc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736912009 599063055 /nfs/dbraw/zinc/06/30/55/599063055.db2.gz OAYAXKLHDUKOOW-NSHDSACASA-N -1 3 382.449 3.020 20 0 GGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820280747 599066446 /nfs/dbraw/zinc/06/64/46/599066446.db2.gz NQKHEOKAHVPLBO-SECBINFHSA-N -1 3 382.321 3.299 20 0 GGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820280747 599066450 /nfs/dbraw/zinc/06/64/50/599066450.db2.gz NQKHEOKAHVPLBO-SECBINFHSA-N -1 3 382.321 3.299 20 0 GGADHM CCC[C@@H](Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1)C(=O)OCC ZINC000736438293 599067569 /nfs/dbraw/zinc/06/75/69/599067569.db2.gz ZRAIDDAEBKWOIH-SNVBAGLBSA-N -1 3 389.403 3.413 20 0 GGADHM Cc1nc(-c2ccccn2)nc(NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822424551 599070128 /nfs/dbraw/zinc/07/01/28/599070128.db2.gz XAIPYNQOXKCHOQ-UHFFFAOYSA-N -1 3 376.399 3.087 20 0 GGADHM Cc1nc(-c2ccccn2)nc(NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822424551 599070133 /nfs/dbraw/zinc/07/01/33/599070133.db2.gz XAIPYNQOXKCHOQ-UHFFFAOYSA-N -1 3 376.399 3.087 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)c1-c1nnn[n-]1 ZINC000736670414 599072891 /nfs/dbraw/zinc/07/28/91/599072891.db2.gz PCGHVDUMTAQWCE-VLIAUNLRSA-N -1 3 395.488 3.478 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)c1-c1nn[n-]n1 ZINC000736670414 599072893 /nfs/dbraw/zinc/07/28/93/599072893.db2.gz PCGHVDUMTAQWCE-VLIAUNLRSA-N -1 3 395.488 3.478 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1c[nH]c2c1cccc2C ZINC000737059512 599073191 /nfs/dbraw/zinc/07/31/91/599073191.db2.gz VRORWVHWFHBZTH-UHFFFAOYSA-N -1 3 376.420 3.236 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1c[nH]c2c1cccc2C ZINC000737059512 599073194 /nfs/dbraw/zinc/07/31/94/599073194.db2.gz VRORWVHWFHBZTH-UHFFFAOYSA-N -1 3 376.420 3.236 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000821837719 599075083 /nfs/dbraw/zinc/07/50/83/599075083.db2.gz GORYUHKQKNUMFY-JTQLQIEISA-N -1 3 394.357 3.169 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000821837719 599075086 /nfs/dbraw/zinc/07/50/86/599075086.db2.gz GORYUHKQKNUMFY-JTQLQIEISA-N -1 3 394.357 3.169 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NC[C@H]3OCCc4sccc43)c2c1 ZINC000822581237 599075789 /nfs/dbraw/zinc/07/57/89/599075789.db2.gz FIUANJQMALHFKD-OAHLLOKOSA-N -1 3 398.879 3.278 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NC[C@H]3OCCc4sccc43)c2c1 ZINC000822581237 599075791 /nfs/dbraw/zinc/07/57/91/599075791.db2.gz FIUANJQMALHFKD-OAHLLOKOSA-N -1 3 398.879 3.278 20 0 GGADHM COc1ccccc1O[C@@H](C)CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000821903196 599077904 /nfs/dbraw/zinc/07/79/04/599077904.db2.gz CXRYOOJDSINHPU-AWEZNQCLSA-N -1 3 390.447 3.033 20 0 GGADHM COc1ccccc1O[C@@H](C)CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000821903196 599077907 /nfs/dbraw/zinc/07/79/07/599077907.db2.gz CXRYOOJDSINHPU-AWEZNQCLSA-N -1 3 390.447 3.033 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736700053 599078030 /nfs/dbraw/zinc/07/80/30/599078030.db2.gz PHRFJOHZOBAJBK-CYBMUJFWSA-N -1 3 384.509 3.346 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736700053 599078033 /nfs/dbraw/zinc/07/80/33/599078033.db2.gz PHRFJOHZOBAJBK-CYBMUJFWSA-N -1 3 384.509 3.346 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000736700774 599078102 /nfs/dbraw/zinc/07/81/02/599078102.db2.gz WNDNEWCPUSHZKI-NHAQELONSA-N -1 3 382.493 3.427 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000736700774 599078105 /nfs/dbraw/zinc/07/81/05/599078105.db2.gz WNDNEWCPUSHZKI-NHAQELONSA-N -1 3 382.493 3.427 20 0 GGADHM C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@H]1C ZINC000736266151 599082564 /nfs/dbraw/zinc/08/25/64/599082564.db2.gz MYMRMJOILFTGKU-KBPBESRZSA-N -1 3 378.436 3.315 20 0 GGADHM C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@H]1C ZINC000736266151 599082567 /nfs/dbraw/zinc/08/25/67/599082567.db2.gz MYMRMJOILFTGKU-KBPBESRZSA-N -1 3 378.436 3.315 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](Cc2ccccc2)C1 ZINC000737932185 599083498 /nfs/dbraw/zinc/08/34/98/599083498.db2.gz KNTQVVWOXYOJSS-GOSISDBHSA-N -1 3 393.516 3.191 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](Cc2ccccc2)C1 ZINC000737932185 599083502 /nfs/dbraw/zinc/08/35/02/599083502.db2.gz KNTQVVWOXYOJSS-GOSISDBHSA-N -1 3 393.516 3.191 20 0 GGADHM Cc1cccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C ZINC000442940518 599084481 /nfs/dbraw/zinc/08/44/81/599084481.db2.gz CEPFFAKYPOIDPX-LBPRGKRZSA-N -1 3 391.884 3.176 20 0 GGADHM Cc1cccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C ZINC000442940518 599084482 /nfs/dbraw/zinc/08/44/82/599084482.db2.gz CEPFFAKYPOIDPX-LBPRGKRZSA-N -1 3 391.884 3.176 20 0 GGADHM CCC[C@@H](CCc1ccccc1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736425873 599084653 /nfs/dbraw/zinc/08/46/53/599084653.db2.gz KRMWWDPBIKQFLQ-SFHVURJKSA-N -1 3 379.464 3.163 20 0 GGADHM CCC[C@@H](CCc1ccccc1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736425873 599084656 /nfs/dbraw/zinc/08/46/56/599084656.db2.gz KRMWWDPBIKQFLQ-SFHVURJKSA-N -1 3 379.464 3.163 20 0 GGADHM NC(=O)[C@@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739381 599085696 /nfs/dbraw/zinc/08/56/96/599085696.db2.gz YPVTUBDCNLUAKG-IBGZPJMESA-N -1 3 386.415 3.298 20 0 GGADHM NC(=O)[C@@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739381 599085698 /nfs/dbraw/zinc/08/56/98/599085698.db2.gz YPVTUBDCNLUAKG-IBGZPJMESA-N -1 3 386.415 3.298 20 0 GGADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738157839 599088963 /nfs/dbraw/zinc/08/89/63/599088963.db2.gz BRGJNAKXQHYBKG-UHFFFAOYSA-N -1 3 386.415 3.231 20 0 GGADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738157839 599088966 /nfs/dbraw/zinc/08/89/66/599088966.db2.gz BRGJNAKXQHYBKG-UHFFFAOYSA-N -1 3 386.415 3.231 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000736183960 599090012 /nfs/dbraw/zinc/09/00/12/599090012.db2.gz UZJPLGGYKKEYON-OAFZBRQQSA-N -1 3 391.475 3.427 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000736183960 599090014 /nfs/dbraw/zinc/09/00/14/599090014.db2.gz UZJPLGGYKKEYON-OAFZBRQQSA-N -1 3 391.475 3.427 20 0 GGADHM COc1ccc(Oc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cn2)cc1 ZINC000737111868 599090068 /nfs/dbraw/zinc/09/00/68/599090068.db2.gz OTKXVTKWOLSPBV-UHFFFAOYSA-N -1 3 394.416 3.376 20 0 GGADHM COc1ccc(Oc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cn2)cc1 ZINC000737111868 599090071 /nfs/dbraw/zinc/09/00/71/599090071.db2.gz OTKXVTKWOLSPBV-UHFFFAOYSA-N -1 3 394.416 3.376 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736234027 599090464 /nfs/dbraw/zinc/09/04/64/599090464.db2.gz HSZDMPXMBBCKLG-SPYBWZPUSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000736183959 599090528 /nfs/dbraw/zinc/09/05/28/599090528.db2.gz UZJPLGGYKKEYON-JEWRLFTDSA-N -1 3 391.475 3.427 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000736183959 599090531 /nfs/dbraw/zinc/09/05/31/599090531.db2.gz UZJPLGGYKKEYON-JEWRLFTDSA-N -1 3 391.475 3.427 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1OC(C)C ZINC000737271763 599090961 /nfs/dbraw/zinc/09/09/61/599090961.db2.gz OCBACAJASFQFOI-CQSZACIVSA-N -1 3 381.436 3.368 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1OC(C)C ZINC000737271763 599090964 /nfs/dbraw/zinc/09/09/64/599090964.db2.gz OCBACAJASFQFOI-CQSZACIVSA-N -1 3 381.436 3.368 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000735735659 599094837 /nfs/dbraw/zinc/09/48/37/599094837.db2.gz PPUHYHFHAGWEBG-SCTDSRPQSA-N -1 3 383.496 3.355 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000735735659 599094839 /nfs/dbraw/zinc/09/48/39/599094839.db2.gz PPUHYHFHAGWEBG-SCTDSRPQSA-N -1 3 383.496 3.355 20 0 GGADHM CC(C)Sc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735921056 599097558 /nfs/dbraw/zinc/09/75/58/599097558.db2.gz HDPGCNSFTAMVAG-FZKQIMNGSA-N -1 3 396.520 3.244 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736616756 599098133 /nfs/dbraw/zinc/09/81/33/599098133.db2.gz PPEMNZKKPQJSDY-RBUKOAKNSA-N -1 3 397.523 3.386 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736616756 599098136 /nfs/dbraw/zinc/09/81/36/599098136.db2.gz PPEMNZKKPQJSDY-RBUKOAKNSA-N -1 3 397.523 3.386 20 0 GGADHM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000737281667 599098223 /nfs/dbraw/zinc/09/82/23/599098223.db2.gz VPWDHBMBTOFLTK-UHFFFAOYSA-N -1 3 387.465 3.072 20 0 GGADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CCS1 ZINC000820994360 599102098 /nfs/dbraw/zinc/10/20/98/599102098.db2.gz HDQMCOGGLPIARU-NSHDSACASA-N -1 3 392.435 3.348 20 0 GGADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CCS1 ZINC000820994360 599102100 /nfs/dbraw/zinc/10/21/00/599102100.db2.gz HDQMCOGGLPIARU-NSHDSACASA-N -1 3 392.435 3.348 20 0 GGADHM NC(=O)c1ccc(-c2nc(CSc3ccccc3-c3nnn[n-]3)cs2)cc1 ZINC000737755835 599110367 /nfs/dbraw/zinc/11/03/67/599110367.db2.gz RPBBWSYYAKMVKP-UHFFFAOYSA-N -1 3 394.485 3.381 20 0 GGADHM NC(=O)c1ccc(-c2nc(CSc3ccccc3-c3nn[n-]n3)cs2)cc1 ZINC000737755835 599110369 /nfs/dbraw/zinc/11/03/69/599110369.db2.gz RPBBWSYYAKMVKP-UHFFFAOYSA-N -1 3 394.485 3.381 20 0 GGADHM COCCN(C(=O)COc1cccc(C(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987917 599115650 /nfs/dbraw/zinc/11/56/50/599115650.db2.gz HDTBVLSTRDWEKN-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM COCCN(C(=O)COc1cccc(C(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987917 599115651 /nfs/dbraw/zinc/11/56/51/599115651.db2.gz HDTBVLSTRDWEKN-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM CCO[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C12CCC2 ZINC000736615943 599119937 /nfs/dbraw/zinc/11/99/37/599119937.db2.gz ZNQKWEDRCBHAKX-HZPDHXFCSA-N -1 3 384.871 3.250 20 0 GGADHM CCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C12CCC2 ZINC000736615943 599119940 /nfs/dbraw/zinc/11/99/40/599119940.db2.gz ZNQKWEDRCBHAKX-HZPDHXFCSA-N -1 3 384.871 3.250 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccc2c(c1)OCCO2 ZINC000737407614 599121825 /nfs/dbraw/zinc/12/18/25/599121825.db2.gz DCZMHTPDHADHNV-UHFFFAOYSA-N -1 3 388.431 3.131 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccc2c(c1)OCCO2 ZINC000737407614 599121827 /nfs/dbraw/zinc/12/18/27/599121827.db2.gz DCZMHTPDHADHNV-UHFFFAOYSA-N -1 3 388.431 3.131 20 0 GGADHM O=c1c2ccccc2nc(SCC2CCC2)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823664748 599124803 /nfs/dbraw/zinc/12/48/03/599124803.db2.gz DPTDATTUDARINK-UHFFFAOYSA-N -1 3 390.472 3.458 20 0 GGADHM O=c1c2ccccc2nc(SCC2CCC2)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823664748 599124805 /nfs/dbraw/zinc/12/48/05/599124805.db2.gz DPTDATTUDARINK-UHFFFAOYSA-N -1 3 390.472 3.458 20 0 GGADHM C[C@H](CCO)S[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820248735 599127048 /nfs/dbraw/zinc/12/70/48/599127048.db2.gz MVZROFNSTLWJIW-MNOVXSKESA-N -1 3 395.554 3.028 20 0 GGADHM C[C@H](CCO)S[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820248735 599127049 /nfs/dbraw/zinc/12/70/49/599127049.db2.gz MVZROFNSTLWJIW-MNOVXSKESA-N -1 3 395.554 3.028 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821699113 599134401 /nfs/dbraw/zinc/13/44/01/599134401.db2.gz CEEGIURVOJSPFZ-SOFGYWHQSA-N -1 3 385.449 3.248 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821699113 599134403 /nfs/dbraw/zinc/13/44/03/599134403.db2.gz CEEGIURVOJSPFZ-SOFGYWHQSA-N -1 3 385.449 3.248 20 0 GGADHM CCc1ccc([C@H]2CCCCN2CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736685016 599138731 /nfs/dbraw/zinc/13/87/31/599138731.db2.gz JQEMCQXLYVRIID-QGZVFWFLSA-N -1 3 380.452 3.188 20 0 GGADHM CCc1ccc([C@H]2CCCCN2CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736685016 599138733 /nfs/dbraw/zinc/13/87/33/599138733.db2.gz JQEMCQXLYVRIID-QGZVFWFLSA-N -1 3 380.452 3.188 20 0 GGADHM CCN(C(=O)CCCOc1cccnc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153934 599143390 /nfs/dbraw/zinc/14/33/90/599143390.db2.gz HPSJBJYIWYNWSK-OAHLLOKOSA-N -1 3 380.452 3.030 20 0 GGADHM CCN(C(=O)CCCOc1cccnc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153934 599143394 /nfs/dbraw/zinc/14/33/94/599143394.db2.gz HPSJBJYIWYNWSK-OAHLLOKOSA-N -1 3 380.452 3.030 20 0 GGADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)o1 ZINC000822227291 599144596 /nfs/dbraw/zinc/14/45/96/599144596.db2.gz CGYIBRUMXQBCPE-LBPRGKRZSA-N -1 3 393.369 3.463 20 0 GGADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)o1 ZINC000822227291 599144597 /nfs/dbraw/zinc/14/45/97/599144597.db2.gz CGYIBRUMXQBCPE-LBPRGKRZSA-N -1 3 393.369 3.463 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000737060012 599145025 /nfs/dbraw/zinc/14/50/25/599145025.db2.gz ZDHBFTTUVUONKA-CZUORRHYSA-N -1 3 378.436 3.285 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000737060012 599145026 /nfs/dbraw/zinc/14/50/26/599145026.db2.gz ZDHBFTTUVUONKA-CZUORRHYSA-N -1 3 378.436 3.285 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000821766565 599148587 /nfs/dbraw/zinc/14/85/87/599148587.db2.gz YQAJFULWAMTSHS-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821755191 599148609 /nfs/dbraw/zinc/14/86/09/599148609.db2.gz ARKYMSCUXMEPBJ-VURMDHGXSA-N -1 3 384.465 3.281 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(OCc2ccccc2)ccn1 ZINC000822220105 599148961 /nfs/dbraw/zinc/14/89/61/599148961.db2.gz DFPFXHLXNALXTJ-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(OCc2ccccc2)ccn1 ZINC000822220105 599148964 /nfs/dbraw/zinc/14/89/64/599148964.db2.gz DFPFXHLXNALXTJ-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736441175 599149646 /nfs/dbraw/zinc/14/96/46/599149646.db2.gz OQLRXQPQIZYINO-OAHLLOKOSA-N -1 3 390.463 3.056 20 0 GGADHM CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736441175 599149647 /nfs/dbraw/zinc/14/96/47/599149647.db2.gz OQLRXQPQIZYINO-OAHLLOKOSA-N -1 3 390.463 3.056 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233954 599153319 /nfs/dbraw/zinc/15/33/19/599153319.db2.gz YPYTYKUVIZFKBC-IEBWSBKVSA-N -1 3 395.438 3.098 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233954 599153321 /nfs/dbraw/zinc/15/33/21/599153321.db2.gz YPYTYKUVIZFKBC-IEBWSBKVSA-N -1 3 395.438 3.098 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000821765933 599156283 /nfs/dbraw/zinc/15/62/83/599156283.db2.gz NGMPVMOORMCXLW-AWEZNQCLSA-N -1 3 398.854 3.136 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000821765933 599156286 /nfs/dbraw/zinc/15/62/86/599156286.db2.gz NGMPVMOORMCXLW-AWEZNQCLSA-N -1 3 398.854 3.136 20 0 GGADHM O=C(COc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000823032578 607259269 /nfs/dbraw/zinc/25/92/69/607259269.db2.gz ZSQDXRMJKPWGDU-UHFFFAOYSA-N -1 3 377.173 3.030 20 0 GGADHM O=C(COc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000823032578 607259270 /nfs/dbraw/zinc/25/92/70/607259270.db2.gz ZSQDXRMJKPWGDU-UHFFFAOYSA-N -1 3 377.173 3.030 20 0 GGADHM CC[C@@H](C)C[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000820870678 599160082 /nfs/dbraw/zinc/16/00/82/599160082.db2.gz XEFHPCGNGZBXGW-MNOVXSKESA-N -1 3 376.530 3.220 20 0 GGADHM CC[C@@H](C)C[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000820870678 599160084 /nfs/dbraw/zinc/16/00/84/599160084.db2.gz XEFHPCGNGZBXGW-MNOVXSKESA-N -1 3 376.530 3.220 20 0 GGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ncc(-c3ccccc3F)o2)n1 ZINC000737470650 599162373 /nfs/dbraw/zinc/16/23/73/599162373.db2.gz KFUATPSRADJYPR-UHFFFAOYSA-N -1 3 383.412 3.360 20 0 GGADHM Cc1nc(SCC(=O)N2CCC[C@@H]2c2ccco2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483205 599162952 /nfs/dbraw/zinc/16/29/52/599162952.db2.gz MEZJFKDMZKEVPL-CQSZACIVSA-N -1 3 398.492 3.236 20 0 GGADHM Cc1nc(SCC(=O)N2CCC[C@@H]2c2ccco2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483205 599162955 /nfs/dbraw/zinc/16/29/55/599162955.db2.gz MEZJFKDMZKEVPL-CQSZACIVSA-N -1 3 398.492 3.236 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000736194246 599168327 /nfs/dbraw/zinc/16/83/27/599168327.db2.gz YMJSALFSBKCMJZ-XHDPSFHLSA-N -1 3 399.451 3.126 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000736194246 599168329 /nfs/dbraw/zinc/16/83/29/599168329.db2.gz YMJSALFSBKCMJZ-XHDPSFHLSA-N -1 3 399.451 3.126 20 0 GGADHM CC(C)OC(=O)Cc1nc(CSc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000735895604 599168611 /nfs/dbraw/zinc/16/86/11/599168611.db2.gz ZFQFVUZPSFUEBC-UHFFFAOYSA-N -1 3 393.469 3.249 20 0 GGADHM CC(C)OC(=O)Cc1nc(CSc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000735895604 599168613 /nfs/dbraw/zinc/16/86/13/599168613.db2.gz ZFQFVUZPSFUEBC-UHFFFAOYSA-N -1 3 393.469 3.249 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000738269825 599168612 /nfs/dbraw/zinc/16/86/12/599168612.db2.gz RDQKKSCJWLPONM-MRXNPFEDSA-N -1 3 385.880 3.450 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000738269825 599168615 /nfs/dbraw/zinc/16/86/15/599168615.db2.gz RDQKKSCJWLPONM-MRXNPFEDSA-N -1 3 385.880 3.450 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000735648464 599170962 /nfs/dbraw/zinc/17/09/62/599170962.db2.gz GGFWYFFOCPZCFJ-GOSISDBHSA-N -1 3 378.480 3.193 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000735648464 599170965 /nfs/dbraw/zinc/17/09/65/599170965.db2.gz GGFWYFFOCPZCFJ-GOSISDBHSA-N -1 3 378.480 3.193 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000736192089 599171367 /nfs/dbraw/zinc/17/13/67/599171367.db2.gz KTRKWBIXQOCYJW-JUFZMCDQSA-N -1 3 377.489 3.427 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000736192089 599171368 /nfs/dbraw/zinc/17/13/68/599171368.db2.gz KTRKWBIXQOCYJW-JUFZMCDQSA-N -1 3 377.489 3.427 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000735625934 599173298 /nfs/dbraw/zinc/17/32/98/599173298.db2.gz IEGJJYAAHBRQDZ-LLVKDONJSA-N -1 3 379.461 3.355 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000735625934 599173299 /nfs/dbraw/zinc/17/32/99/599173299.db2.gz IEGJJYAAHBRQDZ-LLVKDONJSA-N -1 3 379.461 3.355 20 0 GGADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820534197 599173362 /nfs/dbraw/zinc/17/33/62/599173362.db2.gz JXRAVPIZGHBRGZ-CYBMUJFWSA-N -1 3 397.454 3.387 20 0 GGADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820534197 599173363 /nfs/dbraw/zinc/17/33/63/599173363.db2.gz JXRAVPIZGHBRGZ-CYBMUJFWSA-N -1 3 397.454 3.387 20 0 GGADHM CCCCOc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1OC ZINC000821077665 599173375 /nfs/dbraw/zinc/17/33/75/599173375.db2.gz PKJKHZBSUNWMAQ-UHFFFAOYSA-N -1 3 399.426 3.123 20 0 GGADHM CCCCOc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1OC ZINC000821077665 599173376 /nfs/dbraw/zinc/17/33/76/599173376.db2.gz PKJKHZBSUNWMAQ-UHFFFAOYSA-N -1 3 399.426 3.123 20 0 GGADHM Cc1nc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)sc1C ZINC000737482737 599173990 /nfs/dbraw/zinc/17/39/90/599173990.db2.gz LJJIYLCGHAPDAF-UHFFFAOYSA-N -1 3 380.886 3.324 20 0 GGADHM Cc1nc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)sc1C ZINC000737482737 599173994 /nfs/dbraw/zinc/17/39/94/599173994.db2.gz LJJIYLCGHAPDAF-UHFFFAOYSA-N -1 3 380.886 3.324 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C(c1ccccc1)c1ccccc1 ZINC000823234387 599174425 /nfs/dbraw/zinc/17/44/25/599174425.db2.gz MFHCDHJPRWNGLD-UHFFFAOYSA-N -1 3 387.418 3.454 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C(c1ccccc1)c1ccccc1 ZINC000823234387 599174428 /nfs/dbraw/zinc/17/44/28/599174428.db2.gz MFHCDHJPRWNGLD-UHFFFAOYSA-N -1 3 387.418 3.454 20 0 GGADHM S=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2ccccc2c1 ZINC000738401771 599176088 /nfs/dbraw/zinc/17/60/88/599176088.db2.gz TYNMMMLGOUUAIQ-UHFFFAOYSA-N -1 3 390.472 3.385 20 0 GGADHM Cc1ccccc1[C@@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000737423471 599176326 /nfs/dbraw/zinc/17/63/26/599176326.db2.gz QETQANHRTZXOEF-KDOFPFPSSA-N -1 3 394.504 3.334 20 0 GGADHM Cc1ccccc1[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@H](C)CO1 ZINC000737423471 599176328 /nfs/dbraw/zinc/17/63/28/599176328.db2.gz QETQANHRTZXOEF-KDOFPFPSSA-N -1 3 394.504 3.334 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000369619147 599176915 /nfs/dbraw/zinc/17/69/15/599176915.db2.gz QHJLAFNOSGGGOO-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000369619147 599176918 /nfs/dbraw/zinc/17/69/18/599176918.db2.gz QHJLAFNOSGGGOO-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccco1 ZINC000442947106 599177356 /nfs/dbraw/zinc/17/73/56/599177356.db2.gz CWMWDJSMEDLKTL-CQSZACIVSA-N -1 3 393.856 3.029 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccco1 ZINC000442947106 599177361 /nfs/dbraw/zinc/17/73/61/599177361.db2.gz CWMWDJSMEDLKTL-CQSZACIVSA-N -1 3 393.856 3.029 20 0 GGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820550587 599177970 /nfs/dbraw/zinc/17/79/70/599177970.db2.gz XDGSVOMVCJDIAG-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820550587 599177972 /nfs/dbraw/zinc/17/79/72/599177972.db2.gz XDGSVOMVCJDIAG-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000737297366 599178662 /nfs/dbraw/zinc/17/86/62/599178662.db2.gz WRVNUDGWWLUNDI-OAHLLOKOSA-N -1 3 377.514 3.012 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000737297366 599178664 /nfs/dbraw/zinc/17/86/64/599178664.db2.gz WRVNUDGWWLUNDI-OAHLLOKOSA-N -1 3 377.514 3.012 20 0 GGADHM CC(C)C(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735691374 599180264 /nfs/dbraw/zinc/18/02/64/599180264.db2.gz CVRQCDAJUIISRL-UHFFFAOYSA-N -1 3 385.497 3.470 20 0 GGADHM CC(C)C(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735691374 599180266 /nfs/dbraw/zinc/18/02/66/599180266.db2.gz CVRQCDAJUIISRL-UHFFFAOYSA-N -1 3 385.497 3.470 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000738146492 599181480 /nfs/dbraw/zinc/18/14/80/599181480.db2.gz YHSGMXCVBDJZEZ-UONOGXRCSA-N -1 3 397.822 3.034 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000738146492 599181483 /nfs/dbraw/zinc/18/14/83/599181483.db2.gz YHSGMXCVBDJZEZ-UONOGXRCSA-N -1 3 397.822 3.034 20 0 GGADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737975884 599181486 /nfs/dbraw/zinc/18/14/86/599181486.db2.gz WHZNHORQNSOJHS-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737975884 599181488 /nfs/dbraw/zinc/18/14/88/599181488.db2.gz WHZNHORQNSOJHS-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM CCO[C@H](C)c1nc(CN(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000821346141 599183392 /nfs/dbraw/zinc/18/33/92/599183392.db2.gz DAMLCQUXSTUDRB-WTNCMQEWSA-N -1 3 398.492 3.093 20 0 GGADHM CCO[C@H](C)c1nc(CN(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000821346141 599183393 /nfs/dbraw/zinc/18/33/93/599183393.db2.gz DAMLCQUXSTUDRB-WTNCMQEWSA-N -1 3 398.492 3.093 20 0 GGADHM Cc1ccc(C)n1-c1sccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822231877 599184297 /nfs/dbraw/zinc/18/42/97/599184297.db2.gz KSSPDKIFPPAJKI-UHFFFAOYSA-N -1 3 396.451 3.405 20 0 GGADHM Cc1ccc(C)n1-c1sccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822231877 599184298 /nfs/dbraw/zinc/18/42/98/599184298.db2.gz KSSPDKIFPPAJKI-UHFFFAOYSA-N -1 3 396.451 3.405 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2ccccc2F)CCCC1 ZINC000823235433 599184533 /nfs/dbraw/zinc/18/45/33/599184533.db2.gz UUSKNGDTYVBPCU-UHFFFAOYSA-N -1 3 383.402 3.273 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2ccccc2F)CCCC1 ZINC000823235433 599184535 /nfs/dbraw/zinc/18/45/35/599184535.db2.gz UUSKNGDTYVBPCU-UHFFFAOYSA-N -1 3 383.402 3.273 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C[C@H](C)S1 ZINC000820741866 599185222 /nfs/dbraw/zinc/18/52/22/599185222.db2.gz FYSUHYSWDQVOQF-BETUJISGSA-N -1 3 399.476 3.005 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1cccc(F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736151653 599185838 /nfs/dbraw/zinc/18/58/38/599185838.db2.gz QXUOFGZTGYPFFY-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1cccc(F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736151653 599185841 /nfs/dbraw/zinc/18/58/41/599185841.db2.gz QXUOFGZTGYPFFY-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM CS[C@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000821949912 599185978 /nfs/dbraw/zinc/18/59/78/599185978.db2.gz JOOAXKDZPQIBFF-JSGCOSHPSA-N -1 3 399.476 3.053 20 0 GGADHM CS[C@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000821949912 599185979 /nfs/dbraw/zinc/18/59/79/599185979.db2.gz JOOAXKDZPQIBFF-JSGCOSHPSA-N -1 3 399.476 3.053 20 0 GGADHM CCN(C(=O)[C@H](C)Cc1c(C)nn(C)c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501534 599182880 /nfs/dbraw/zinc/18/28/80/599182880.db2.gz DTNVXGQVTFUMDI-UKRRQHHQSA-N -1 3 395.511 3.005 20 0 GGADHM CCN(C(=O)[C@H](C)Cc1c(C)nn(C)c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501534 599182883 /nfs/dbraw/zinc/18/28/83/599182883.db2.gz DTNVXGQVTFUMDI-UKRRQHHQSA-N -1 3 395.511 3.005 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820740993 599187929 /nfs/dbraw/zinc/18/79/29/599187929.db2.gz AWKYYYHUUGHZBM-OKILXGFUSA-N -1 3 379.489 3.500 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820740993 599187930 /nfs/dbraw/zinc/18/79/30/599187930.db2.gz AWKYYYHUUGHZBM-OKILXGFUSA-N -1 3 379.489 3.500 20 0 GGADHM Cc1ccc([C@H]2CSCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737333705 599188972 /nfs/dbraw/zinc/18/89/72/599188972.db2.gz VKSIGAAPGLYLLT-GOSISDBHSA-N -1 3 394.504 3.175 20 0 GGADHM Cc1ccc([C@H]2CSCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737333705 599188975 /nfs/dbraw/zinc/18/89/75/599188975.db2.gz VKSIGAAPGLYLLT-GOSISDBHSA-N -1 3 394.504 3.175 20 0 GGADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000821949917 599186166 /nfs/dbraw/zinc/18/61/66/599186166.db2.gz JOOAXKDZPQIBFF-TZMCWYRMSA-N -1 3 399.476 3.053 20 0 GGADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000821949917 599186167 /nfs/dbraw/zinc/18/61/67/599186167.db2.gz JOOAXKDZPQIBFF-TZMCWYRMSA-N -1 3 399.476 3.053 20 0 GGADHM CCCCCC[C@@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736445697 599186587 /nfs/dbraw/zinc/18/65/87/599186587.db2.gz MFJBMCXXKUXBEL-OAHLLOKOSA-N -1 3 388.491 3.261 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C[C@@H](C)S1 ZINC000820744346 599187334 /nfs/dbraw/zinc/18/73/34/599187334.db2.gz YBMCKUOUWKZGQN-CHWSQXEVSA-N -1 3 399.476 3.005 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C[C@@H](C)S1 ZINC000820744346 599187336 /nfs/dbraw/zinc/18/73/36/599187336.db2.gz YBMCKUOUWKZGQN-CHWSQXEVSA-N -1 3 399.476 3.005 20 0 GGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736747618 599187401 /nfs/dbraw/zinc/18/74/01/599187401.db2.gz FCNUKSCTNRYIBH-UHFFFAOYSA-N -1 3 376.395 3.288 20 0 GGADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736747618 599187404 /nfs/dbraw/zinc/18/74/04/599187404.db2.gz FCNUKSCTNRYIBH-UHFFFAOYSA-N -1 3 376.395 3.288 20 0 GGADHM CC(C)COc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735844060 599193664 /nfs/dbraw/zinc/19/36/64/599193664.db2.gz GNEUKUCOHMXLHI-UHFFFAOYSA-N -1 3 398.492 3.168 20 0 GGADHM CC(C)COc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735844060 599193666 /nfs/dbraw/zinc/19/36/66/599193666.db2.gz GNEUKUCOHMXLHI-UHFFFAOYSA-N -1 3 398.492 3.168 20 0 GGADHM COC[C@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736969137 599195251 /nfs/dbraw/zinc/19/52/51/599195251.db2.gz KFMZYHONYGMYHL-NSHDSACASA-N -1 3 387.827 3.077 20 0 GGADHM COC[C@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736969137 599195255 /nfs/dbraw/zinc/19/52/55/599195255.db2.gz KFMZYHONYGMYHL-NSHDSACASA-N -1 3 387.827 3.077 20 0 GGADHM O=C(NCc1cocn1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738123339 599196653 /nfs/dbraw/zinc/19/66/53/599196653.db2.gz BMERZYCRXWCBFU-UHFFFAOYSA-N -1 3 396.794 3.230 20 0 GGADHM O=C(NCc1cocn1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738123339 599196654 /nfs/dbraw/zinc/19/66/54/599196654.db2.gz BMERZYCRXWCBFU-UHFFFAOYSA-N -1 3 396.794 3.230 20 0 GGADHM O=C(NCC(C1CC1)C1CC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823162634 599198658 /nfs/dbraw/zinc/19/86/58/599198658.db2.gz YOVMZQCPIWUGAE-UHFFFAOYSA-N -1 3 393.447 3.205 20 0 GGADHM O=C(NCC(C1CC1)C1CC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823162634 599198660 /nfs/dbraw/zinc/19/86/60/599198660.db2.gz YOVMZQCPIWUGAE-UHFFFAOYSA-N -1 3 393.447 3.205 20 0 GGADHM COCCN(C(=O)C[C@H](C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989944 599201944 /nfs/dbraw/zinc/20/19/44/599201944.db2.gz XOXHRHQRDQUHCK-AWEZNQCLSA-N -1 3 383.427 3.179 20 0 GGADHM COCCN(C(=O)C[C@H](C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989944 599201947 /nfs/dbraw/zinc/20/19/47/599201947.db2.gz XOXHRHQRDQUHCK-AWEZNQCLSA-N -1 3 383.427 3.179 20 0 GGADHM Cc1ccc(OC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000737365118 599206502 /nfs/dbraw/zinc/20/65/02/599206502.db2.gz PUMWFSFTGXKYII-UHFFFAOYSA-N -1 3 376.464 3.107 20 0 GGADHM Cc1ccc(OC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1 ZINC000737365118 599206505 /nfs/dbraw/zinc/20/65/05/599206505.db2.gz PUMWFSFTGXKYII-UHFFFAOYSA-N -1 3 376.464 3.107 20 0 GGADHM CC1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820594894 599203350 /nfs/dbraw/zinc/20/33/50/599203350.db2.gz FHYIXKBNHJYMLK-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM CC1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820594894 599203352 /nfs/dbraw/zinc/20/33/52/599203352.db2.gz FHYIXKBNHJYMLK-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)c(Br)c1 ZINC000822978601 599210801 /nfs/dbraw/zinc/21/08/01/599210801.db2.gz NFVTYXZMEYIXLN-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)c(Br)c1 ZINC000822978601 599210804 /nfs/dbraw/zinc/21/08/04/599210804.db2.gz NFVTYXZMEYIXLN-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820021403 599210700 /nfs/dbraw/zinc/21/07/00/599210700.db2.gz TUQIWAJLLGGFNO-SFHVURJKSA-N -1 3 397.454 3.110 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820021403 599210701 /nfs/dbraw/zinc/21/07/01/599210701.db2.gz TUQIWAJLLGGFNO-SFHVURJKSA-N -1 3 397.454 3.110 20 0 GGADHM CCS[C@H]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821448244 599212540 /nfs/dbraw/zinc/21/25/40/599212540.db2.gz MMPFSWXTTSNMGI-HOTGVXAUSA-N -1 3 391.566 3.233 20 0 GGADHM CCS[C@H]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821448244 599212543 /nfs/dbraw/zinc/21/25/43/599212543.db2.gz MMPFSWXTTSNMGI-HOTGVXAUSA-N -1 3 391.566 3.233 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OC[C@@H](C)c1ccccc1 ZINC000737032252 599215117 /nfs/dbraw/zinc/21/51/17/599215117.db2.gz HEWSZXFRMZRIQJ-OAHLLOKOSA-N -1 3 396.447 3.381 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OC[C@@H](C)c1ccccc1 ZINC000737032252 599215120 /nfs/dbraw/zinc/21/51/20/599215120.db2.gz HEWSZXFRMZRIQJ-OAHLLOKOSA-N -1 3 396.447 3.381 20 0 GGADHM COc1cc(COC(=O)CC2CC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737048166 599215327 /nfs/dbraw/zinc/21/53/27/599215327.db2.gz XFPPDXWBFQEJND-UHFFFAOYSA-N -1 3 394.431 3.298 20 0 GGADHM COc1cc(COC(=O)CC2CC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737048166 599215329 /nfs/dbraw/zinc/21/53/29/599215329.db2.gz XFPPDXWBFQEJND-UHFFFAOYSA-N -1 3 394.431 3.298 20 0 GGADHM O=C(COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000738218441 599217195 /nfs/dbraw/zinc/21/71/95/599217195.db2.gz DSCIGXXRDODJRI-UHFFFAOYSA-N -1 3 398.806 3.448 20 0 GGADHM O=C(COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CC1 ZINC000738218441 599217196 /nfs/dbraw/zinc/21/71/96/599217196.db2.gz DSCIGXXRDODJRI-UHFFFAOYSA-N -1 3 398.806 3.448 20 0 GGADHM O=C(NCCC(F)(F)F)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823183472 599217789 /nfs/dbraw/zinc/21/77/89/599217789.db2.gz YDVDBGWXGNEFKV-UHFFFAOYSA-N -1 3 391.353 3.128 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2F)CCCC1 ZINC000738082675 599218221 /nfs/dbraw/zinc/21/82/21/599218221.db2.gz MEBWSRWNJDITJJ-UHFFFAOYSA-N -1 3 395.438 3.013 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233789 599218984 /nfs/dbraw/zinc/21/89/84/599218984.db2.gz VBLYMPBTWQEHGQ-FPOVZHCZSA-N -1 3 391.475 3.002 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233789 599218985 /nfs/dbraw/zinc/21/89/85/599218985.db2.gz VBLYMPBTWQEHGQ-FPOVZHCZSA-N -1 3 391.475 3.002 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737214738 599219518 /nfs/dbraw/zinc/21/95/18/599219518.db2.gz PLFRVWPNYYEJNZ-UHFFFAOYSA-N -1 3 397.822 3.384 20 0 GGADHM O=C(Nc1cnn(CC2CC2)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823376114 599219853 /nfs/dbraw/zinc/21/98/53/599219853.db2.gz XFPOCHQZXKAGAS-UHFFFAOYSA-N -1 3 385.431 3.393 20 0 GGADHM O=C(Nc1cnn(CC2CC2)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823376114 599219857 /nfs/dbraw/zinc/21/98/57/599219857.db2.gz XFPOCHQZXKAGAS-UHFFFAOYSA-N -1 3 385.431 3.393 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N(CCc1ccc(F)cc1)C1CC1 ZINC000738101012 599219994 /nfs/dbraw/zinc/21/99/94/599219994.db2.gz VSXMIGRGKCOTED-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N(CCc1ccc(F)cc1)C1CC1 ZINC000738101012 599219995 /nfs/dbraw/zinc/21/99/95/599219995.db2.gz VSXMIGRGKCOTED-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM Cc1n[nH]cc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822015526 599220599 /nfs/dbraw/zinc/22/05/99/599220599.db2.gz LWLKAUZSCBSYGU-UHFFFAOYSA-N -1 3 379.355 3.082 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3cccc(Oc4ccc(-c5nnn[n-]5)cc4)c3)C[C@@H]21 ZINC000736208740 599222623 /nfs/dbraw/zinc/22/26/23/599222623.db2.gz ZGWWQRCIMIMLDG-HDICACEKSA-N -1 3 375.432 3.387 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)C[C@@H]21 ZINC000736208740 599222626 /nfs/dbraw/zinc/22/26/26/599222626.db2.gz ZGWWQRCIMIMLDG-HDICACEKSA-N -1 3 375.432 3.387 20 0 GGADHM C[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281960 599222722 /nfs/dbraw/zinc/22/27/22/599222722.db2.gz VMVKSNXMSNKSHC-JXFKEZNVSA-N -1 3 375.476 3.452 20 0 GGADHM C[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281960 599222725 /nfs/dbraw/zinc/22/27/25/599222725.db2.gz VMVKSNXMSNKSHC-JXFKEZNVSA-N -1 3 375.476 3.452 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3cccc(COc4ccc(-c5nn[n-]n5)cc4)c3)C[C@@H]21 ZINC000736207558 599222956 /nfs/dbraw/zinc/22/29/56/599222956.db2.gz SIKBEEMSBFKXLV-KDURUIRLSA-N -1 3 389.459 3.174 20 0 GGADHM CCC[C@]1(C)CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821026882 599223070 /nfs/dbraw/zinc/22/30/70/599223070.db2.gz GHJBOYFBHXVWHY-GHTZIAJQSA-N -1 3 382.512 3.264 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000237149663 596902937 /nfs/dbraw/zinc/90/29/37/596902937.db2.gz NSWOOWBXLMIXML-UHFFFAOYSA-N -1 3 389.502 3.113 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccn(C2CCCC2)n1 ZINC000819976484 607260359 /nfs/dbraw/zinc/26/03/59/607260359.db2.gz VUBVDEWUWXJBDF-UHFFFAOYSA-N -1 3 397.487 3.057 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccn(C2CCCC2)n1 ZINC000819976484 607260360 /nfs/dbraw/zinc/26/03/60/607260360.db2.gz VUBVDEWUWXJBDF-UHFFFAOYSA-N -1 3 397.487 3.057 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(-c4nnn[n-]4)c3)[C@H](C)CO2)c1 ZINC000737324002 599229452 /nfs/dbraw/zinc/22/94/52/599229452.db2.gz XBIPEAGUWJCMJP-DNVCBOLYSA-N -1 3 377.448 3.086 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(-c4nn[n-]n4)c3)[C@H](C)CO2)c1 ZINC000737324002 599229455 /nfs/dbraw/zinc/22/94/55/599229455.db2.gz XBIPEAGUWJCMJP-DNVCBOLYSA-N -1 3 377.448 3.086 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)[C@H](C)CO2)c1 ZINC000737323734 599229638 /nfs/dbraw/zinc/22/96/38/599229638.db2.gz VXZLEHCKKBBREC-OXQOHEQNSA-N -1 3 391.475 3.015 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)[C@H](C)CO2)c1 ZINC000737323734 599229641 /nfs/dbraw/zinc/22/96/41/599229641.db2.gz VXZLEHCKKBBREC-OXQOHEQNSA-N -1 3 391.475 3.015 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3sccc3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000737323111 599229730 /nfs/dbraw/zinc/22/97/30/599229730.db2.gz OTPRQQOPZJBUMP-CZUORRHYSA-N -1 3 383.477 3.147 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3sccc3-c3nn[n-]n3)[C@H](C)CO2)c1 ZINC000737323111 599229733 /nfs/dbraw/zinc/22/97/33/599229733.db2.gz OTPRQQOPZJBUMP-CZUORRHYSA-N -1 3 383.477 3.147 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000736170413 599230001 /nfs/dbraw/zinc/23/00/01/599230001.db2.gz UGXVVRXKEPQVTN-SECBINFHSA-N -1 3 393.325 3.013 20 0 GGADHM O=C(Nc1nc(-c2ccccc2)cs1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823375777 607262391 /nfs/dbraw/zinc/26/23/91/607262391.db2.gz JSHZOBSRNAXUGF-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nc(-c2ccccc2)cs1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823375777 607262392 /nfs/dbraw/zinc/26/23/92/607262392.db2.gz JSHZOBSRNAXUGF-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1ccc(Br)cc1 ZINC000737557643 599232406 /nfs/dbraw/zinc/23/24/06/599232406.db2.gz GSLDWZKORJDQRB-UHFFFAOYSA-N -1 3 379.649 3.332 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1ccc(Br)cc1 ZINC000737557643 599232409 /nfs/dbraw/zinc/23/24/09/599232409.db2.gz GSLDWZKORJDQRB-UHFFFAOYSA-N -1 3 379.649 3.332 20 0 GGADHM C[C@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1Cl ZINC000736013963 599232705 /nfs/dbraw/zinc/23/27/05/599232705.db2.gz IOEYFPWJKGNFNW-CYBMUJFWSA-N -1 3 385.855 3.036 20 0 GGADHM C[C@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Cl ZINC000736013963 599232706 /nfs/dbraw/zinc/23/27/06/599232706.db2.gz IOEYFPWJKGNFNW-CYBMUJFWSA-N -1 3 385.855 3.036 20 0 GGADHM C[C@@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1Cl ZINC000736013965 599233023 /nfs/dbraw/zinc/23/30/23/599233023.db2.gz IOEYFPWJKGNFNW-ZDUSSCGKSA-N -1 3 385.855 3.036 20 0 GGADHM C[C@@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Cl ZINC000736013965 599233025 /nfs/dbraw/zinc/23/30/25/599233025.db2.gz IOEYFPWJKGNFNW-ZDUSSCGKSA-N -1 3 385.855 3.036 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822161618 607262985 /nfs/dbraw/zinc/26/29/85/607262985.db2.gz QZVXYQWMMCQZSK-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822161618 607262986 /nfs/dbraw/zinc/26/29/86/607262986.db2.gz QZVXYQWMMCQZSK-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM CCC(CC)n1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820897383 607264321 /nfs/dbraw/zinc/26/43/21/607264321.db2.gz CEYQCELPKUPMDE-UHFFFAOYSA-N -1 3 384.440 3.050 20 0 GGADHM CCC(CC)n1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820897383 607264322 /nfs/dbraw/zinc/26/43/22/607264322.db2.gz CEYQCELPKUPMDE-UHFFFAOYSA-N -1 3 384.440 3.050 20 0 GGADHM CC(C)(C)OC(=O)CCCCCNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000819928608 599227889 /nfs/dbraw/zinc/22/78/89/599227889.db2.gz RPVKPAZEIHBWHD-UHFFFAOYSA-N -1 3 390.513 3.055 20 0 GGADHM CC(C)(C)OC(=O)CCCCCNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000819928608 599227892 /nfs/dbraw/zinc/22/78/92/599227892.db2.gz RPVKPAZEIHBWHD-UHFFFAOYSA-N -1 3 390.513 3.055 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000822220610 607265061 /nfs/dbraw/zinc/26/50/61/607265061.db2.gz YTHQZOZMBAUXQT-UHFFFAOYSA-N -1 3 398.426 3.424 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000822220610 607265062 /nfs/dbraw/zinc/26/50/62/607265062.db2.gz YTHQZOZMBAUXQT-UHFFFAOYSA-N -1 3 398.426 3.424 20 0 GGADHM CO[C@@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821677209 599228642 /nfs/dbraw/zinc/22/86/42/599228642.db2.gz RCJRHRKZEQTNJX-HNNXBMFYSA-N -1 3 388.884 3.194 20 0 GGADHM CO[C@@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821677209 599228645 /nfs/dbraw/zinc/22/86/45/599228645.db2.gz RCJRHRKZEQTNJX-HNNXBMFYSA-N -1 3 388.884 3.194 20 0 GGADHM Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nnn[n-]4)c3C)cs2)o1 ZINC000822214114 607268548 /nfs/dbraw/zinc/26/85/48/607268548.db2.gz PYVVLNDEZXLZJE-UHFFFAOYSA-N -1 3 380.433 3.381 20 0 GGADHM Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nn[n-]n4)c3C)cs2)o1 ZINC000822214114 607268549 /nfs/dbraw/zinc/26/85/49/607268549.db2.gz PYVVLNDEZXLZJE-UHFFFAOYSA-N -1 3 380.433 3.381 20 0 GGADHM CC(C)(C)c1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819958525 599235117 /nfs/dbraw/zinc/23/51/17/599235117.db2.gz NQZLNYMUQHULOA-UHFFFAOYSA-N -1 3 380.452 3.365 20 0 GGADHM COc1ccc2nc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000821854258 599235771 /nfs/dbraw/zinc/23/57/71/599235771.db2.gz IDEWYEHPNKPNBI-SNVBAGLBSA-N -1 3 395.448 3.368 20 0 GGADHM COc1ccc2nc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000821854258 599235772 /nfs/dbraw/zinc/23/57/72/599235772.db2.gz IDEWYEHPNKPNBI-SNVBAGLBSA-N -1 3 395.448 3.368 20 0 GGADHM CCC[C@]1(C)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821028778 599236026 /nfs/dbraw/zinc/23/60/26/599236026.db2.gz ZRGHPONNYOAPAC-MRXNPFEDSA-N -1 3 383.905 3.111 20 0 GGADHM CCC[C@]1(C)CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821028778 599236029 /nfs/dbraw/zinc/23/60/29/599236029.db2.gz ZRGHPONNYOAPAC-MRXNPFEDSA-N -1 3 383.905 3.111 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1Br ZINC000821772762 607266881 /nfs/dbraw/zinc/26/68/81/607266881.db2.gz OVCDEQSPKPTWQO-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1Br ZINC000821772762 607266882 /nfs/dbraw/zinc/26/68/82/607266882.db2.gz OVCDEQSPKPTWQO-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000737171393 599239698 /nfs/dbraw/zinc/23/96/98/599239698.db2.gz OMUJPDWOJVSTSC-OLZOCXBDSA-N -1 3 377.518 3.219 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000737171393 599239699 /nfs/dbraw/zinc/23/96/99/599239699.db2.gz OMUJPDWOJVSTSC-OLZOCXBDSA-N -1 3 377.518 3.219 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737271861 599240574 /nfs/dbraw/zinc/24/05/74/599240574.db2.gz XQYBJTANDCTUDO-QGZVFWFLSA-N -1 3 395.442 3.105 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737271861 599240576 /nfs/dbraw/zinc/24/05/76/599240576.db2.gz XQYBJTANDCTUDO-QGZVFWFLSA-N -1 3 395.442 3.105 20 0 GGADHM CCCC[C@@H](CC)CC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736439676 599242022 /nfs/dbraw/zinc/24/20/22/599242022.db2.gz YQSDIZRZSXTRKP-PBHICJAKSA-N -1 3 385.468 3.122 20 0 GGADHM CCCC[C@@H](CC)CC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736439676 599242024 /nfs/dbraw/zinc/24/20/24/599242024.db2.gz YQSDIZRZSXTRKP-PBHICJAKSA-N -1 3 385.468 3.122 20 0 GGADHM CS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC000737173094 599242538 /nfs/dbraw/zinc/24/25/38/599242538.db2.gz WKLBNAJQOYKERK-ZIAGYGMSSA-N -1 3 390.513 3.450 20 0 GGADHM CS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC000737173094 599242539 /nfs/dbraw/zinc/24/25/39/599242539.db2.gz WKLBNAJQOYKERK-ZIAGYGMSSA-N -1 3 390.513 3.450 20 0 GGADHM Cc1c(NC(=O)c2cnn(-c3ccccc3Cl)c2)cccc1-c1nnn[n-]1 ZINC000822115291 607270845 /nfs/dbraw/zinc/27/08/45/607270845.db2.gz AFWVXCMWCJQKDI-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1c(NC(=O)c2cnn(-c3ccccc3Cl)c2)cccc1-c1nn[n-]n1 ZINC000822115291 607270846 /nfs/dbraw/zinc/27/08/46/607270846.db2.gz AFWVXCMWCJQKDI-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CS[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC000737173092 599242867 /nfs/dbraw/zinc/24/28/67/599242867.db2.gz WKLBNAJQOYKERK-UONOGXRCSA-N -1 3 390.513 3.450 20 0 GGADHM CS[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC000737173092 599242869 /nfs/dbraw/zinc/24/28/69/599242869.db2.gz WKLBNAJQOYKERK-UONOGXRCSA-N -1 3 390.513 3.450 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735639629 599243012 /nfs/dbraw/zinc/24/30/12/599243012.db2.gz KNOYFESKDMOGHO-UHFFFAOYSA-N -1 3 381.392 3.433 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735639629 599243015 /nfs/dbraw/zinc/24/30/15/599243015.db2.gz KNOYFESKDMOGHO-UHFFFAOYSA-N -1 3 381.392 3.433 20 0 GGADHM CC[C@H]1CCCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1 ZINC000736401501 599243457 /nfs/dbraw/zinc/24/34/57/599243457.db2.gz ISJUVKFIXGJTIQ-HNNXBMFYSA-N -1 3 388.541 3.322 20 0 GGADHM CC[C@H]1CCCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1 ZINC000736401501 599243458 /nfs/dbraw/zinc/24/34/58/599243458.db2.gz ISJUVKFIXGJTIQ-HNNXBMFYSA-N -1 3 388.541 3.322 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H]1CCOc2ccccc21 ZINC000736625566 599246102 /nfs/dbraw/zinc/24/61/02/599246102.db2.gz CCYVRWVLJRZTKY-CYBMUJFWSA-N -1 3 380.404 3.127 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H]1CCOc2ccccc21 ZINC000736625566 599246105 /nfs/dbraw/zinc/24/61/05/599246105.db2.gz CCYVRWVLJRZTKY-CYBMUJFWSA-N -1 3 380.404 3.127 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000821610090 607273607 /nfs/dbraw/zinc/27/36/07/607273607.db2.gz ZYMJPBOPIQWIED-UHFFFAOYSA-N -1 3 391.353 3.080 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000821610090 607273608 /nfs/dbraw/zinc/27/36/08/607273608.db2.gz ZYMJPBOPIQWIED-UHFFFAOYSA-N -1 3 391.353 3.080 20 0 GGADHM C[C@@H]1C[C@H]1[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736233702 599247030 /nfs/dbraw/zinc/24/70/30/599247030.db2.gz GSWMQIWKUISLRR-QHLBDZCJSA-N -1 3 396.882 3.446 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737949734 597184943 /nfs/dbraw/zinc/18/49/43/597184943.db2.gz OTQSBNSEELEULS-UHFFFAOYSA-N -1 3 391.418 3.188 20 0 GGADHM Cc1cccc(O[C@@H](C)CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822326796 599247800 /nfs/dbraw/zinc/24/78/00/599247800.db2.gz APDDYCPETBQCSX-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1cccc(O[C@@H](C)CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822326796 599247802 /nfs/dbraw/zinc/24/78/02/599247802.db2.gz APDDYCPETBQCSX-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000736233069 599248411 /nfs/dbraw/zinc/24/84/11/599248411.db2.gz FDRLMPKKSODXFA-BIENJYKASA-N -1 3 395.438 3.383 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000822089780 607282992 /nfs/dbraw/zinc/28/29/92/607282992.db2.gz GSMKAGMWFHCWRH-MSOLQXFVSA-N -1 3 378.436 3.217 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC000822089780 607282993 /nfs/dbraw/zinc/28/29/93/607282993.db2.gz GSMKAGMWFHCWRH-MSOLQXFVSA-N -1 3 378.436 3.217 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000736167376 599250958 /nfs/dbraw/zinc/25/09/58/599250958.db2.gz FMHFHJZZPDSWGY-YVEFUNNKSA-N -1 3 383.839 3.261 20 0 GGADHM Cc1c(NC(=O)NCc2csc(-c3ccco3)n2)cccc1-c1nnn[n-]1 ZINC000822102610 607280000 /nfs/dbraw/zinc/28/00/00/607280000.db2.gz BXWKFGWBYCRMKR-UHFFFAOYSA-N -1 3 381.421 3.213 20 0 GGADHM Cc1c(NC(=O)NCc2csc(-c3ccco3)n2)cccc1-c1nn[n-]n1 ZINC000822102610 607280001 /nfs/dbraw/zinc/28/00/01/607280001.db2.gz BXWKFGWBYCRMKR-UHFFFAOYSA-N -1 3 381.421 3.213 20 0 GGADHM Cc1c(NC(=O)NCc2coc(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000822102380 607280931 /nfs/dbraw/zinc/28/09/31/607280931.db2.gz AAWCNJGMRRXEFP-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1c(NC(=O)NCc2coc(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000822102380 607280932 /nfs/dbraw/zinc/28/09/32/607280932.db2.gz AAWCNJGMRRXEFP-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822096334 607280934 /nfs/dbraw/zinc/28/09/34/607280934.db2.gz LDACVAKNVMCGJV-GOSISDBHSA-N -1 3 394.479 3.328 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822096334 607280935 /nfs/dbraw/zinc/28/09/35/607280935.db2.gz LDACVAKNVMCGJV-GOSISDBHSA-N -1 3 394.479 3.328 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(-c2nnn[n-]2)c1 ZINC000820380500 599252149 /nfs/dbraw/zinc/25/21/49/599252149.db2.gz UYNVHIVXOOFZJQ-SECBINFHSA-N -1 3 388.334 3.071 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(-c2nn[n-]n2)c1 ZINC000820380500 599252151 /nfs/dbraw/zinc/25/21/51/599252151.db2.gz UYNVHIVXOOFZJQ-SECBINFHSA-N -1 3 388.334 3.071 20 0 GGADHM Cc1c(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084510 607282040 /nfs/dbraw/zinc/28/20/40/607282040.db2.gz LKNBGSMMYUOIMV-KRWDZBQOSA-N -1 3 392.463 3.246 20 0 GGADHM Cc1c(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084510 607282041 /nfs/dbraw/zinc/28/20/41/607282041.db2.gz LKNBGSMMYUOIMV-KRWDZBQOSA-N -1 3 392.463 3.246 20 0 GGADHM CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819819050 599253854 /nfs/dbraw/zinc/25/38/54/599253854.db2.gz ZEEVNZZVADWLQW-LBPRGKRZSA-N -1 3 379.424 3.016 20 0 GGADHM CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819819050 599253855 /nfs/dbraw/zinc/25/38/55/599253855.db2.gz ZEEVNZZVADWLQW-LBPRGKRZSA-N -1 3 379.424 3.016 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821334806 599254943 /nfs/dbraw/zinc/25/49/43/599254943.db2.gz QEQUAJJXSBCAAF-LBPRGKRZSA-N -1 3 395.423 3.318 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821334806 599254945 /nfs/dbraw/zinc/25/49/45/599254945.db2.gz QEQUAJJXSBCAAF-LBPRGKRZSA-N -1 3 395.423 3.318 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818378129 597321157 /nfs/dbraw/zinc/32/11/57/597321157.db2.gz JVGDVGWNRVPFIB-UHFFFAOYSA-N -1 3 391.418 3.188 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CCN1Cc1ccccc1 ZINC000818101772 597323105 /nfs/dbraw/zinc/32/31/05/597323105.db2.gz IBSJDOOBTWOYMC-QGZVFWFLSA-N -1 3 381.476 3.442 20 0 GGADHM COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821837968 607283868 /nfs/dbraw/zinc/28/38/68/607283868.db2.gz IKEGRDSVPBYPQX-LBPRGKRZSA-N -1 3 382.424 3.075 20 0 GGADHM COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821837968 607283869 /nfs/dbraw/zinc/28/38/69/607283869.db2.gz IKEGRDSVPBYPQX-LBPRGKRZSA-N -1 3 382.424 3.075 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cccc1-c1nnn[n-]1 ZINC000822084699 607283886 /nfs/dbraw/zinc/28/38/86/607283886.db2.gz NWWNKXXFBWWFPL-XIKOKIGWSA-N -1 3 396.426 3.308 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cccc1-c1nn[n-]n1 ZINC000822084699 607283887 /nfs/dbraw/zinc/28/38/87/607283887.db2.gz NWWNKXXFBWWFPL-XIKOKIGWSA-N -1 3 396.426 3.308 20 0 GGADHM CC(C)COc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820102647 599256427 /nfs/dbraw/zinc/25/64/27/599256427.db2.gz FNTOWSOCSNZLAM-UHFFFAOYSA-N -1 3 384.415 3.362 20 0 GGADHM CC(C)COc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820102647 599256428 /nfs/dbraw/zinc/25/64/28/599256428.db2.gz FNTOWSOCSNZLAM-UHFFFAOYSA-N -1 3 384.415 3.362 20 0 GGADHM C[C@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820374488 599256505 /nfs/dbraw/zinc/25/65/05/599256505.db2.gz OIKGTPWDQYSJBO-ZDUSSCGKSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820374488 599256507 /nfs/dbraw/zinc/25/65/07/599256507.db2.gz OIKGTPWDQYSJBO-ZDUSSCGKSA-N -1 3 389.419 3.082 20 0 GGADHM Cc1c(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cccc1-c1nnn[n-]1 ZINC000822091047 607284223 /nfs/dbraw/zinc/28/42/23/607284223.db2.gz NCSVERSMIJHPPJ-LJQANCHMSA-N -1 3 385.431 3.481 20 0 GGADHM Cc1c(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cccc1-c1nn[n-]n1 ZINC000822091047 607284224 /nfs/dbraw/zinc/28/42/24/607284224.db2.gz NCSVERSMIJHPPJ-LJQANCHMSA-N -1 3 385.431 3.481 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822010034 607286346 /nfs/dbraw/zinc/28/63/46/607286346.db2.gz KWVKWIUAZLXISW-UHFFFAOYSA-N -1 3 375.436 3.329 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822010034 607286347 /nfs/dbraw/zinc/28/63/47/607286347.db2.gz KWVKWIUAZLXISW-UHFFFAOYSA-N -1 3 375.436 3.329 20 0 GGADHM Cc1c(NC(=O)NCc2ccc(Br)s2)cccc1-c1nnn[n-]1 ZINC000822103474 607286976 /nfs/dbraw/zinc/28/69/76/607286976.db2.gz GXYPPDUHEHCREL-UHFFFAOYSA-N -1 3 393.270 3.321 20 0 GGADHM Cc1c(NC(=O)NCc2ccc(Br)s2)cccc1-c1nn[n-]n1 ZINC000822103474 607286977 /nfs/dbraw/zinc/28/69/77/607286977.db2.gz GXYPPDUHEHCREL-UHFFFAOYSA-N -1 3 393.270 3.321 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000821608619 607302405 /nfs/dbraw/zinc/30/24/05/607302405.db2.gz NUYARCSJJUWQDI-SFHVURJKSA-N -1 3 376.464 3.431 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000821608619 607302406 /nfs/dbraw/zinc/30/24/06/607302406.db2.gz NUYARCSJJUWQDI-SFHVURJKSA-N -1 3 376.464 3.431 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342086 599261838 /nfs/dbraw/zinc/26/18/38/599261838.db2.gz SXILAIFGFKEONF-WBVHZDCISA-N -1 3 376.464 3.202 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342086 599261839 /nfs/dbraw/zinc/26/18/39/599261839.db2.gz SXILAIFGFKEONF-WBVHZDCISA-N -1 3 376.464 3.202 20 0 GGADHM Cc1c(NC(=O)N2CCSC[C@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822089258 607291503 /nfs/dbraw/zinc/29/15/03/607291503.db2.gz BWDOWJNSPJGQKJ-KRWDZBQOSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1c(NC(=O)N2CCSC[C@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822089258 607291504 /nfs/dbraw/zinc/29/15/04/607291504.db2.gz BWDOWJNSPJGQKJ-KRWDZBQOSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)c2ccccc2-n2cccn2)cccc1-c1nnn[n-]1 ZINC000822091514 607293276 /nfs/dbraw/zinc/29/32/76/607293276.db2.gz RSIGTXMWTJXNHT-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)c2ccccc2-n2cccn2)cccc1-c1nn[n-]n1 ZINC000822091514 607293277 /nfs/dbraw/zinc/29/32/77/607293277.db2.gz RSIGTXMWTJXNHT-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000818368870 597412284 /nfs/dbraw/zinc/41/22/84/597412284.db2.gz LJETVZIHPKZGMO-LJQANCHMSA-N -1 3 381.476 3.442 20 0 GGADHM Cc1cc(Cl)cc2c1N(C(=O)COc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737264229 599259422 /nfs/dbraw/zinc/25/94/22/599259422.db2.gz OKTZPLJHEGDYIZ-UHFFFAOYSA-N -1 3 383.839 3.187 20 0 GGADHM Cc1cc(Cl)cc2c1N(C(=O)COc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737264229 599259424 /nfs/dbraw/zinc/25/94/24/599259424.db2.gz OKTZPLJHEGDYIZ-UHFFFAOYSA-N -1 3 383.839 3.187 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c2c(n1)onc2C(C)C ZINC000822176579 607295191 /nfs/dbraw/zinc/29/51/91/607295191.db2.gz LJGXYKMQJBYMEC-UHFFFAOYSA-N -1 3 377.408 3.395 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c2c(n1)onc2C(C)C ZINC000822176579 607295192 /nfs/dbraw/zinc/29/51/92/607295192.db2.gz LJGXYKMQJBYMEC-UHFFFAOYSA-N -1 3 377.408 3.395 20 0 GGADHM CCN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccncc1 ZINC000736509026 599259618 /nfs/dbraw/zinc/25/96/18/599259618.db2.gz QMEWDKUARYKSEP-UHFFFAOYSA-N -1 3 390.403 3.100 20 0 GGADHM CCN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccncc1 ZINC000736509026 599259621 /nfs/dbraw/zinc/25/96/21/599259621.db2.gz QMEWDKUARYKSEP-UHFFFAOYSA-N -1 3 390.403 3.100 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821871545 599260230 /nfs/dbraw/zinc/26/02/30/599260230.db2.gz ALUIHTVRVQSEAN-VXGBXAGGSA-N -1 3 384.415 3.136 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821871545 599260232 /nfs/dbraw/zinc/26/02/32/599260232.db2.gz ALUIHTVRVQSEAN-VXGBXAGGSA-N -1 3 384.415 3.136 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000822955491 607298294 /nfs/dbraw/zinc/29/82/94/607298294.db2.gz XIKQYPXYOKPDIJ-UHFFFAOYSA-N -1 3 384.827 3.268 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000822955491 607298295 /nfs/dbraw/zinc/29/82/95/607298295.db2.gz XIKQYPXYOKPDIJ-UHFFFAOYSA-N -1 3 384.827 3.268 20 0 GGADHM COc1cccc(F)c1[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821871540 599260407 /nfs/dbraw/zinc/26/04/07/599260407.db2.gz ALUIHTVRVQSEAN-NEPJUHHUSA-N -1 3 384.415 3.136 20 0 GGADHM COc1cccc(F)c1[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821871540 599260410 /nfs/dbraw/zinc/26/04/10/599260410.db2.gz ALUIHTVRVQSEAN-NEPJUHHUSA-N -1 3 384.415 3.136 20 0 GGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822020868 607299856 /nfs/dbraw/zinc/29/98/56/607299856.db2.gz LOSRTLXCLDZFFN-JTQLQIEISA-N -1 3 382.811 3.461 20 0 GGADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822020868 607299857 /nfs/dbraw/zinc/29/98/57/607299857.db2.gz LOSRTLXCLDZFFN-JTQLQIEISA-N -1 3 382.811 3.461 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000737853698 599260773 /nfs/dbraw/zinc/26/07/73/599260773.db2.gz SRCMVHTVBKQZER-GOSISDBHSA-N -1 3 379.489 3.116 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000737853698 599260775 /nfs/dbraw/zinc/26/07/75/599260775.db2.gz SRCMVHTVBKQZER-GOSISDBHSA-N -1 3 379.489 3.116 20 0 GGADHM CC[C@H](C)[C@@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820860245 607300412 /nfs/dbraw/zinc/30/04/12/607300412.db2.gz IODODNCZZPJJRO-LSDHHAIUSA-N -1 3 398.511 3.401 20 0 GGADHM CC[C@H](C)[C@@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820860245 607300413 /nfs/dbraw/zinc/30/04/13/607300413.db2.gz IODODNCZZPJJRO-LSDHHAIUSA-N -1 3 398.511 3.401 20 0 GGADHM C[C@@H]1CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC[C@H]1c1ccccc1 ZINC000820743176 607301162 /nfs/dbraw/zinc/30/11/62/607301162.db2.gz RRERMYFRTOUTGD-IUODEOHRSA-N -1 3 382.855 3.181 20 0 GGADHM C[C@@H]1CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC[C@H]1c1ccccc1 ZINC000820743176 607301163 /nfs/dbraw/zinc/30/11/63/607301163.db2.gz RRERMYFRTOUTGD-IUODEOHRSA-N -1 3 382.855 3.181 20 0 GGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820678606 607301213 /nfs/dbraw/zinc/30/12/13/607301213.db2.gz WINBDCLIGLLUMF-RVKKMQEKSA-N -1 3 396.495 3.155 20 0 GGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820678606 607301214 /nfs/dbraw/zinc/30/12/14/607301214.db2.gz WINBDCLIGLLUMF-RVKKMQEKSA-N -1 3 396.495 3.155 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1nc2ccsc2s1 ZINC000737936047 599263142 /nfs/dbraw/zinc/26/31/42/599263142.db2.gz JGYGNSXQDLSKFU-UHFFFAOYSA-N -1 3 388.503 3.410 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1nc2ccsc2s1 ZINC000737936047 599263145 /nfs/dbraw/zinc/26/31/45/599263145.db2.gz JGYGNSXQDLSKFU-UHFFFAOYSA-N -1 3 388.503 3.410 20 0 GGADHM Cc1csc([C@H](NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000822410115 599263853 /nfs/dbraw/zinc/26/38/53/599263853.db2.gz XERGDDCDJOJLNH-IAQYHMDHSA-N -1 3 383.481 3.143 20 0 GGADHM Cc1csc([C@H](NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000822410115 599263854 /nfs/dbraw/zinc/26/38/54/599263854.db2.gz XERGDDCDJOJLNH-IAQYHMDHSA-N -1 3 383.481 3.143 20 0 GGADHM COc1ccc(CNc2cc(F)c(N3CCCC3)c(F)c2)cc1-c1nnn[n-]1 ZINC000821821757 607309945 /nfs/dbraw/zinc/30/99/45/607309945.db2.gz VKXXFZYOUGIKAB-UHFFFAOYSA-N -1 3 386.406 3.366 20 0 GGADHM COc1ccc(CNc2cc(F)c(N3CCCC3)c(F)c2)cc1-c1nn[n-]n1 ZINC000821821757 607309946 /nfs/dbraw/zinc/30/99/46/607309946.db2.gz VKXXFZYOUGIKAB-UHFFFAOYSA-N -1 3 386.406 3.366 20 0 GGADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822226176 607312620 /nfs/dbraw/zinc/31/26/20/607312620.db2.gz GEGMJRNFYVATQS-UHFFFAOYSA-N -1 3 396.398 3.141 20 0 GGADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822226176 607312621 /nfs/dbraw/zinc/31/26/21/607312621.db2.gz GEGMJRNFYVATQS-UHFFFAOYSA-N -1 3 396.398 3.141 20 0 GGADHM COc1ccc(CNc2cccc(C(=O)N3CCCCC3)c2)cc1-c1nnn[n-]1 ZINC000821821457 607313459 /nfs/dbraw/zinc/31/34/59/607313459.db2.gz GUJCBXOSWYTJNN-UHFFFAOYSA-N -1 3 392.463 3.114 20 0 GGADHM COc1ccc(CNc2cccc(C(=O)N3CCCCC3)c2)cc1-c1nn[n-]n1 ZINC000821821457 607313460 /nfs/dbraw/zinc/31/34/60/607313460.db2.gz GUJCBXOSWYTJNN-UHFFFAOYSA-N -1 3 392.463 3.114 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2ccccc2CC)c(-c2nnn[n-]2)c1C ZINC000821346513 607303808 /nfs/dbraw/zinc/30/38/08/607303808.db2.gz KXTBBSOXMLVITB-UHFFFAOYSA-N -1 3 385.449 3.228 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2ccccc2CC)c(-c2nn[n-]n2)c1C ZINC000821346513 607303809 /nfs/dbraw/zinc/30/38/09/607303809.db2.gz KXTBBSOXMLVITB-UHFFFAOYSA-N -1 3 385.449 3.228 20 0 GGADHM O=C(OC1CCCC1)[C@H](Cc1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823393551 607304104 /nfs/dbraw/zinc/30/41/04/607304104.db2.gz ZJUIDXRCPZEFAT-FQEVSTJZSA-N -1 3 391.475 3.053 20 0 GGADHM O=C(OC1CCCC1)[C@H](Cc1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823393551 607304105 /nfs/dbraw/zinc/30/41/05/607304105.db2.gz ZJUIDXRCPZEFAT-FQEVSTJZSA-N -1 3 391.475 3.053 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2cccnc2)nc(C)n1 ZINC000821109475 607305125 /nfs/dbraw/zinc/30/51/25/607305125.db2.gz JWGKHDVUFWYPQE-UHFFFAOYSA-N -1 3 386.463 3.444 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccnc2)nc(C)n1 ZINC000821109475 607305126 /nfs/dbraw/zinc/30/51/26/607305126.db2.gz JWGKHDVUFWYPQE-UHFFFAOYSA-N -1 3 386.463 3.444 20 0 GGADHM CN(C(=O)c1cc(F)cc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736749138 599305186 /nfs/dbraw/zinc/30/51/86/599305186.db2.gz MGWQDCSGRGANMZ-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM CN(C(=O)c1cc(F)cc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736749138 599305187 /nfs/dbraw/zinc/30/51/87/599305187.db2.gz MGWQDCSGRGANMZ-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000822220359 599271131 /nfs/dbraw/zinc/27/11/31/599271131.db2.gz NTAKYQIWLCVCDP-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000822220359 599271133 /nfs/dbraw/zinc/27/11/33/599271133.db2.gz NTAKYQIWLCVCDP-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821890369 599273019 /nfs/dbraw/zinc/27/30/19/599273019.db2.gz MTOYAXFMNLBVTO-CQSZACIVSA-N -1 3 380.452 3.279 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821890369 599273022 /nfs/dbraw/zinc/27/30/22/599273022.db2.gz MTOYAXFMNLBVTO-CQSZACIVSA-N -1 3 380.452 3.279 20 0 GGADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000736128900 599273298 /nfs/dbraw/zinc/27/32/98/599273298.db2.gz AMKYUVFXIWOJFL-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000736128900 599273299 /nfs/dbraw/zinc/27/32/99/599273299.db2.gz AMKYUVFXIWOJFL-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389216 599274159 /nfs/dbraw/zinc/27/41/59/599274159.db2.gz KFTWDMIWCFXUJS-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389216 599274160 /nfs/dbraw/zinc/27/41/60/599274160.db2.gz KFTWDMIWCFXUJS-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM CC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1(C)C ZINC000735679018 599280134 /nfs/dbraw/zinc/28/01/34/599280134.db2.gz CTZJSZLEFQVACH-HKUYNNGSSA-N -1 3 394.523 3.190 20 0 GGADHM CC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1(C)C ZINC000735679018 599280137 /nfs/dbraw/zinc/28/01/37/599280137.db2.gz CTZJSZLEFQVACH-HKUYNNGSSA-N -1 3 394.523 3.190 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cc(C)ccc1C ZINC000736488399 599277369 /nfs/dbraw/zinc/27/73/69/599277369.db2.gz NZAVQRKRFPZAHN-UHFFFAOYSA-N -1 3 380.452 3.323 20 0 GGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822327797 599277950 /nfs/dbraw/zinc/27/79/50/599277950.db2.gz KHRWRXZNUFBSGG-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM Cc1cccc(OC(F)F)c1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822327797 599277951 /nfs/dbraw/zinc/27/79/51/599277951.db2.gz KHRWRXZNUFBSGG-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM CCCCN1CCc2ccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)cc21 ZINC000821065650 607318232 /nfs/dbraw/zinc/31/82/32/607318232.db2.gz LIRCOAQDKCLBMU-UHFFFAOYSA-N -1 3 388.479 3.289 20 0 GGADHM CCCCN1CCc2ccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)cc21 ZINC000821065650 607318233 /nfs/dbraw/zinc/31/82/33/607318233.db2.gz LIRCOAQDKCLBMU-UHFFFAOYSA-N -1 3 388.479 3.289 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737807547 599278368 /nfs/dbraw/zinc/27/83/68/599278368.db2.gz PHZLYOJALQMQCW-CMDGGOBGSA-N -1 3 387.399 3.050 20 0 GGADHM O=C(C=Cc1ccnc2ccccc12)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737807547 599278370 /nfs/dbraw/zinc/27/83/70/599278370.db2.gz PHZLYOJALQMQCW-CMDGGOBGSA-N -1 3 387.399 3.050 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc(OC)c1 ZINC000736489019 599278928 /nfs/dbraw/zinc/27/89/28/599278928.db2.gz XJIGSWDBJZHGMC-UHFFFAOYSA-N -1 3 380.452 3.269 20 0 GGADHM CCc1nnc(-c2ccc(NCc3ccc(OC)c(-c4nnn[n-]4)c3)cc2)o1 ZINC000821517570 607318419 /nfs/dbraw/zinc/31/84/19/607318419.db2.gz KOHBYYYYWIAQNG-UHFFFAOYSA-N -1 3 377.408 3.100 20 0 GGADHM CCc1nnc(-c2ccc(NCc3ccc(OC)c(-c4nn[n-]n4)c3)cc2)o1 ZINC000821517570 607318420 /nfs/dbraw/zinc/31/84/20/607318420.db2.gz KOHBYYYYWIAQNG-UHFFFAOYSA-N -1 3 377.408 3.100 20 0 GGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1csc(Cc2ccccc2F)n1 ZINC000738235275 599279835 /nfs/dbraw/zinc/27/98/35/599279835.db2.gz QAGYYEIBSFPDQL-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1csc(Cc2ccccc2F)n1 ZINC000738235275 599279838 /nfs/dbraw/zinc/27/98/38/599279838.db2.gz QAGYYEIBSFPDQL-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380662 599281179 /nfs/dbraw/zinc/28/11/79/599281179.db2.gz YBIYVTRLIZFFJP-CYBMUJFWSA-N -1 3 388.435 3.150 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380662 599281182 /nfs/dbraw/zinc/28/11/82/599281182.db2.gz YBIYVTRLIZFFJP-CYBMUJFWSA-N -1 3 388.435 3.150 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000737221570 599282764 /nfs/dbraw/zinc/28/27/64/599282764.db2.gz MRKWIJDCFWBGLK-CYBMUJFWSA-N -1 3 385.855 3.393 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1C ZINC000737319779 599283520 /nfs/dbraw/zinc/28/35/20/599283520.db2.gz GSEIKLBOGHYHPJ-INIZCTEOSA-N -1 3 379.464 3.357 20 0 GGADHM CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736780350 599280528 /nfs/dbraw/zinc/28/05/28/599280528.db2.gz PZCMSPRAVPFOLK-GOSISDBHSA-N -1 3 395.442 3.441 20 0 GGADHM CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736780350 599280530 /nfs/dbraw/zinc/28/05/30/599280530.db2.gz PZCMSPRAVPFOLK-GOSISDBHSA-N -1 3 395.442 3.441 20 0 GGADHM Cc1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1OC(C)C ZINC000822208218 599285056 /nfs/dbraw/zinc/28/50/56/599285056.db2.gz HDZLLFMDMWCMEV-UHFFFAOYSA-N -1 3 384.415 3.423 20 0 GGADHM Cc1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1OC(C)C ZINC000822208218 599285057 /nfs/dbraw/zinc/28/50/57/599285057.db2.gz HDZLLFMDMWCMEV-UHFFFAOYSA-N -1 3 384.415 3.423 20 0 GGADHM C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193837 599287531 /nfs/dbraw/zinc/28/75/31/599287531.db2.gz UHERAHPADAQBKC-MFKMUULPSA-N -1 3 389.510 3.162 20 0 GGADHM C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193837 599287533 /nfs/dbraw/zinc/28/75/33/599287533.db2.gz UHERAHPADAQBKC-MFKMUULPSA-N -1 3 389.510 3.162 20 0 GGADHM CCOc1ccccc1-n1nnnc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736655887 599287775 /nfs/dbraw/zinc/28/77/75/599287775.db2.gz VLNBFJCOMKPYKR-LBPRGKRZSA-N -1 3 394.464 3.094 20 0 GGADHM CCOc1ccccc1-n1nnnc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736655887 599287777 /nfs/dbraw/zinc/28/77/77/599287777.db2.gz VLNBFJCOMKPYKR-LBPRGKRZSA-N -1 3 394.464 3.094 20 0 GGADHM Cc1cccc(C)c1-n1nnnc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737389454 599288391 /nfs/dbraw/zinc/28/83/91/599288391.db2.gz ORZKTJLMODNGAT-ZDUSSCGKSA-N -1 3 378.465 3.313 20 0 GGADHM Cc1cccc(C)c1-n1nnnc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737389454 599288393 /nfs/dbraw/zinc/28/83/93/599288393.db2.gz ORZKTJLMODNGAT-ZDUSSCGKSA-N -1 3 378.465 3.313 20 0 GGADHM Cc1ccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCOCC2)cc1 ZINC000822232121 607321545 /nfs/dbraw/zinc/32/15/45/607321545.db2.gz UPUODDQHZAMXAW-UHFFFAOYSA-N -1 3 377.448 3.170 20 0 GGADHM Cc1ccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCOCC2)cc1 ZINC000822232121 607321546 /nfs/dbraw/zinc/32/15/46/607321546.db2.gz UPUODDQHZAMXAW-UHFFFAOYSA-N -1 3 377.448 3.170 20 0 GGADHM Cc1c(NC(=O)c2cccnc2SC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822116825 607322046 /nfs/dbraw/zinc/32/20/46/607322046.db2.gz ZAEAZYAZZUVHQV-UHFFFAOYSA-N -1 3 380.355 3.434 20 0 GGADHM Cc1c(NC(=O)c2cccnc2SC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822116825 607322047 /nfs/dbraw/zinc/32/20/47/607322047.db2.gz ZAEAZYAZZUVHQV-UHFFFAOYSA-N -1 3 380.355 3.434 20 0 GGADHM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1ccccc1-c1ccccc1 ZINC000823582802 607328120 /nfs/dbraw/zinc/32/81/20/607328120.db2.gz AUFMYSCUIMWOLH-UHFFFAOYSA-N -1 3 395.419 3.474 20 0 GGADHM CCc1nnc(N[C@@H](C)Cc2nc3ccccc3s2)c(-c2nnn[n-]2)c1CC ZINC000821528756 607329434 /nfs/dbraw/zinc/32/94/34/607329434.db2.gz QXOSCEAHNYWWQZ-NSHDSACASA-N -1 3 394.508 3.434 20 0 GGADHM CCc1nnc(N[C@@H](C)Cc2nc3ccccc3s2)c(-c2nn[n-]n2)c1CC ZINC000821528756 607329435 /nfs/dbraw/zinc/32/94/35/607329435.db2.gz QXOSCEAHNYWWQZ-NSHDSACASA-N -1 3 394.508 3.434 20 0 GGADHM Cc1c([C@H](C)NCCCCC(=O)[O-])nnn1-c1cccc(Br)c1 ZINC000820945430 598171250 /nfs/dbraw/zinc/17/12/50/598171250.db2.gz ZDUFMUJOQCPTMW-NSHDSACASA-N -1 3 381.274 3.244 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000635526904 598190755 /nfs/dbraw/zinc/19/07/55/598190755.db2.gz WIWHNLZZRNCSHP-UHFFFAOYSA-N -1 3 381.476 3.191 20 0 GGADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)cc(Br)c1OC ZINC000820770875 598194157 /nfs/dbraw/zinc/19/41/57/598194157.db2.gz RCZYFAHIKAQQRH-UHFFFAOYSA-N -1 3 380.238 3.454 20 0 GGADHM O=C([O-])c1cccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000821451815 598203844 /nfs/dbraw/zinc/20/38/44/598203844.db2.gz KMBPNOFIFPJKRT-UHFFFAOYSA-N -1 3 390.443 3.391 20 0 GGADHM C[C@H](CC(=O)[O-])N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000820072178 598212698 /nfs/dbraw/zinc/21/26/98/598212698.db2.gz OEQVBDWNVZWAQO-XIKOKIGWSA-N -1 3 381.881 3.286 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000736171219 598232053 /nfs/dbraw/zinc/23/20/53/598232053.db2.gz UTRSSCYZGRKAHO-AUUYWEPGSA-N -1 3 377.448 3.292 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OCc2ccncc2)cc1 ZINC000737963083 598233146 /nfs/dbraw/zinc/23/31/46/598233146.db2.gz RHUQELPGDZALKZ-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OCc2ccncc2)cc1 ZINC000737963083 598233148 /nfs/dbraw/zinc/23/31/48/598233148.db2.gz RHUQELPGDZALKZ-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM Cc1cccc2c1CCN(C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C2 ZINC000737411225 598235243 /nfs/dbraw/zinc/23/52/43/598235243.db2.gz WTEBNPKCACTSTJ-FQEVSTJZSA-N -1 3 391.475 3.163 20 0 GGADHM Cc1cccc2c1CCN(C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C2 ZINC000737411225 598235245 /nfs/dbraw/zinc/23/52/45/598235245.db2.gz WTEBNPKCACTSTJ-FQEVSTJZSA-N -1 3 391.475 3.163 20 0 GGADHM O=C(CSc1ccccc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737948372 598237159 /nfs/dbraw/zinc/23/71/59/598237159.db2.gz UOPMVPFCMWABBY-UHFFFAOYSA-N -1 3 395.488 3.029 20 0 GGADHM O=C(CSc1ccccc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737948372 598237161 /nfs/dbraw/zinc/23/71/61/598237161.db2.gz UOPMVPFCMWABBY-UHFFFAOYSA-N -1 3 395.488 3.029 20 0 GGADHM C[C@H]1CCC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736247875 598238140 /nfs/dbraw/zinc/23/81/40/598238140.db2.gz HCWWNVGBHZACRY-JKSUJKDBSA-N -1 3 383.496 3.453 20 0 GGADHM C[C@H]1CCC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736247875 598238141 /nfs/dbraw/zinc/23/81/41/598238141.db2.gz HCWWNVGBHZACRY-JKSUJKDBSA-N -1 3 383.496 3.453 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737153707 598240134 /nfs/dbraw/zinc/24/01/34/598240134.db2.gz UPSYOCVMCVQXAV-OUKQBFOZSA-N -1 3 377.448 3.026 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737153707 598240136 /nfs/dbraw/zinc/24/01/36/598240136.db2.gz UPSYOCVMCVQXAV-OUKQBFOZSA-N -1 3 377.448 3.026 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000737919518 598240435 /nfs/dbraw/zinc/24/04/35/598240435.db2.gz MVNSSXWCBOZSFW-SFHVURJKSA-N -1 3 395.438 3.008 20 0 GGADHM C[C@H]1CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736264560 598242318 /nfs/dbraw/zinc/24/23/18/598242318.db2.gz WKKBLDYILUPKAO-IFXJQAMLSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@H]1CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736264560 598242320 /nfs/dbraw/zinc/24/23/20/598242320.db2.gz WKKBLDYILUPKAO-IFXJQAMLSA-N -1 3 377.448 3.364 20 0 GGADHM COc1ccc(CCNc2cccc(F)c2-c2nnn[n-]2)cc1OC(F)F ZINC000737090820 598247050 /nfs/dbraw/zinc/24/70/50/598247050.db2.gz URLRVJJNTFAJAE-UHFFFAOYSA-N -1 3 379.342 3.270 20 0 GGADHM COc1ccc(CCNc2cccc(F)c2-c2nn[n-]n2)cc1OC(F)F ZINC000737090820 598247051 /nfs/dbraw/zinc/24/70/51/598247051.db2.gz URLRVJJNTFAJAE-UHFFFAOYSA-N -1 3 379.342 3.270 20 0 GGADHM C[C@H](c1nc(C(C)(C)C)no1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736203303 598248418 /nfs/dbraw/zinc/24/84/18/598248418.db2.gz MBQLIHAJMSQVNN-CYBMUJFWSA-N -1 3 397.483 3.152 20 0 GGADHM C[C@H](c1nc(C(C)(C)C)no1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736203303 598248419 /nfs/dbraw/zinc/24/84/19/598248419.db2.gz MBQLIHAJMSQVNN-CYBMUJFWSA-N -1 3 397.483 3.152 20 0 GGADHM C[C@H]1Cc2ccccc2N(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736300244 598250157 /nfs/dbraw/zinc/25/01/57/598250157.db2.gz WKJDTMXDJPUVDX-LBPRGKRZSA-N -1 3 382.855 3.157 20 0 GGADHM C[C@H]1Cc2ccccc2N(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736300244 598250158 /nfs/dbraw/zinc/25/01/58/598250158.db2.gz WKJDTMXDJPUVDX-LBPRGKRZSA-N -1 3 382.855 3.157 20 0 GGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cn2ccccc2c1-c1nnn[n-]1)CC3 ZINC000737656882 598250765 /nfs/dbraw/zinc/25/07/65/598250765.db2.gz QMIMNGPATCLHRY-UHFFFAOYSA-N -1 3 387.422 3.298 20 0 GGADHM Fc1ccc2[nH]c3c(c2c1)CN(Cc1cn2ccccc2c1-c1nn[n-]n1)CC3 ZINC000737656882 598250767 /nfs/dbraw/zinc/25/07/67/598250767.db2.gz QMIMNGPATCLHRY-UHFFFAOYSA-N -1 3 387.422 3.298 20 0 GGADHM c1sc(C2CCCC2)nc1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738437185 598252509 /nfs/dbraw/zinc/25/25/09/598252509.db2.gz ZUJXGEORRQNPOQ-UHFFFAOYSA-N -1 3 395.536 3.303 20 0 GGADHM c1sc(C2CCCC2)nc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738437185 598252510 /nfs/dbraw/zinc/25/25/10/598252510.db2.gz ZUJXGEORRQNPOQ-UHFFFAOYSA-N -1 3 395.536 3.303 20 0 GGADHM C[C@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119121 598255260 /nfs/dbraw/zinc/25/52/60/598255260.db2.gz QJDKRPJSVQLSAB-NSHDSACASA-N -1 3 385.497 3.181 20 0 GGADHM C[C@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119121 598255262 /nfs/dbraw/zinc/25/52/62/598255262.db2.gz QJDKRPJSVQLSAB-NSHDSACASA-N -1 3 385.497 3.181 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CC)c1nc(C)cs1 ZINC000736635965 598263675 /nfs/dbraw/zinc/26/36/75/598263675.db2.gz IXVXZYYDZSIKMO-GFCCVEGCSA-N -1 3 387.469 3.303 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CC)c1nc(C)cs1 ZINC000736635965 598263677 /nfs/dbraw/zinc/26/36/77/598263677.db2.gz IXVXZYYDZSIKMO-GFCCVEGCSA-N -1 3 387.469 3.303 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000736637506 598263773 /nfs/dbraw/zinc/26/37/73/598263773.db2.gz QOZJVFLZJNRQJA-UHFFFAOYSA-N -1 3 382.399 3.215 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000736637506 598263774 /nfs/dbraw/zinc/26/37/74/598263774.db2.gz QOZJVFLZJNRQJA-UHFFFAOYSA-N -1 3 382.399 3.215 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000738151210 598264129 /nfs/dbraw/zinc/26/41/29/598264129.db2.gz GZAFGSVPPYHKSX-AWEZNQCLSA-N -1 3 383.843 3.238 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000738151210 598264130 /nfs/dbraw/zinc/26/41/30/598264130.db2.gz GZAFGSVPPYHKSX-AWEZNQCLSA-N -1 3 383.843 3.238 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737153035 598264360 /nfs/dbraw/zinc/26/43/60/598264360.db2.gz OMKYSZXXCBQNDY-AWEZNQCLSA-N -1 3 394.479 3.257 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737153035 598264361 /nfs/dbraw/zinc/26/43/61/598264361.db2.gz OMKYSZXXCBQNDY-AWEZNQCLSA-N -1 3 394.479 3.257 20 0 GGADHM C[C@H](Sc1ncc2ccccn21)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736190492 598266352 /nfs/dbraw/zinc/26/63/52/598266352.db2.gz FTLFHJDQWMTYPQ-JTQLQIEISA-N -1 3 399.867 3.287 20 0 GGADHM C[C@H](Sc1ncc2ccccn21)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736190492 598266354 /nfs/dbraw/zinc/26/63/54/598266354.db2.gz FTLFHJDQWMTYPQ-JTQLQIEISA-N -1 3 399.867 3.287 20 0 GGADHM O=C(NCc1cc(F)ccc1F)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738102418 598266532 /nfs/dbraw/zinc/26/65/32/598266532.db2.gz RSQCZZNNJPLPMY-UHFFFAOYSA-N -1 3 396.304 3.068 20 0 GGADHM O=C(NCc1cc(F)ccc1F)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738102418 598266533 /nfs/dbraw/zinc/26/65/33/598266533.db2.gz RSQCZZNNJPLPMY-UHFFFAOYSA-N -1 3 396.304 3.068 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCO1 ZINC000736279934 598267001 /nfs/dbraw/zinc/26/70/01/598267001.db2.gz LVXASGTXBIHWEM-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCO1 ZINC000736279934 598267003 /nfs/dbraw/zinc/26/70/03/598267003.db2.gz LVXASGTXBIHWEM-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(NC[C@@H]1CCCOC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738047802 598267948 /nfs/dbraw/zinc/26/79/48/598267948.db2.gz BJYRBYJWVXLHDL-AWEZNQCLSA-N -1 3 394.435 3.207 20 0 GGADHM O=C(NC[C@@H]1CCCOC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738047802 598267949 /nfs/dbraw/zinc/26/79/49/598267949.db2.gz BJYRBYJWVXLHDL-AWEZNQCLSA-N -1 3 394.435 3.207 20 0 GGADHM COc1ccc(Cl)cc1COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737100368 598273067 /nfs/dbraw/zinc/27/30/67/598273067.db2.gz WHYJNMPXCXOATH-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM COc1cccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737130611 598275142 /nfs/dbraw/zinc/27/51/42/598275142.db2.gz IHAXSMAAQVNUJY-UHFFFAOYSA-N -1 3 383.456 3.096 20 0 GGADHM COc1cccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737130611 598275143 /nfs/dbraw/zinc/27/51/43/598275143.db2.gz IHAXSMAAQVNUJY-UHFFFAOYSA-N -1 3 383.456 3.096 20 0 GGADHM COc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1OC ZINC000737047903 598275301 /nfs/dbraw/zinc/27/53/01/598275301.db2.gz UHVPDTNSAAEDRM-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1OC ZINC000737047903 598275303 /nfs/dbraw/zinc/27/53/03/598275303.db2.gz UHVPDTNSAAEDRM-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM Cn1cccc1[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737612012 598276768 /nfs/dbraw/zinc/27/67/68/598276768.db2.gz GUCAASKOYYJIEB-OAHLLOKOSA-N -1 3 382.472 3.131 20 0 GGADHM Cn1cccc1[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737612012 598276769 /nfs/dbraw/zinc/27/67/69/598276769.db2.gz GUCAASKOYYJIEB-OAHLLOKOSA-N -1 3 382.472 3.131 20 0 GGADHM FC(F)(F)c1cc(N2CCCN(c3nccs3)CC2)ccc1-c1nnn[n-]1 ZINC000737632199 598276818 /nfs/dbraw/zinc/27/68/18/598276818.db2.gz LEAWRSYVLYTVRB-UHFFFAOYSA-N -1 3 395.414 3.059 20 0 GGADHM FC(F)(F)c1cc(N2CCCN(c3nccs3)CC2)ccc1-c1nn[n-]n1 ZINC000737632199 598276820 /nfs/dbraw/zinc/27/68/20/598276820.db2.gz LEAWRSYVLYTVRB-UHFFFAOYSA-N -1 3 395.414 3.059 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCCN(c2nccs2)CC1 ZINC000737625687 598277164 /nfs/dbraw/zinc/27/71/64/598277164.db2.gz DFXXZVJVIPOMFC-UHFFFAOYSA-N -1 3 395.414 3.059 20 0 GGADHM CN(C(=O)c1cc(Br)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736747718 598278779 /nfs/dbraw/zinc/27/87/79/598278779.db2.gz IFVUWRHZLCNMFP-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM CN(C(=O)c1cc(Br)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736747718 598278781 /nfs/dbraw/zinc/27/87/81/598278781.db2.gz IFVUWRHZLCNMFP-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM CC(C)COC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000735838823 598279257 /nfs/dbraw/zinc/27/92/57/598279257.db2.gz IPZFHTGFNVSBFS-UHFFFAOYSA-N -1 3 389.504 3.092 20 0 GGADHM CC(C)COC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000735838823 598279258 /nfs/dbraw/zinc/27/92/58/598279258.db2.gz IPZFHTGFNVSBFS-UHFFFAOYSA-N -1 3 389.504 3.092 20 0 GGADHM CN(C(=O)COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736736702 598280195 /nfs/dbraw/zinc/28/01/95/598280195.db2.gz HINRUUJRSIBCCL-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM CN(C(=O)COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736736702 598280196 /nfs/dbraw/zinc/28/01/96/598280196.db2.gz HINRUUJRSIBCCL-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM Cc1ccc(OC[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737366069 598280870 /nfs/dbraw/zinc/28/08/70/598280870.db2.gz OYYOOGLTBLHRRL-CQSZACIVSA-N -1 3 397.483 3.321 20 0 GGADHM Cc1ccc(OC[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737366069 598280872 /nfs/dbraw/zinc/28/08/72/598280872.db2.gz OYYOOGLTBLHRRL-CQSZACIVSA-N -1 3 397.483 3.321 20 0 GGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731714 598281259 /nfs/dbraw/zinc/28/12/59/598281259.db2.gz FTMWEMYVHTXZRN-HJWRWDBZSA-N -1 3 380.408 3.292 20 0 GGADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731714 598281261 /nfs/dbraw/zinc/28/12/61/598281261.db2.gz FTMWEMYVHTXZRN-HJWRWDBZSA-N -1 3 380.408 3.292 20 0 GGADHM C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736296802 598282409 /nfs/dbraw/zinc/28/24/09/598282409.db2.gz JRICHAOSRJJSLP-MGPUTAFESA-N -1 3 388.475 3.061 20 0 GGADHM Cc1ccccc1C(C)(C)CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737414731 598284249 /nfs/dbraw/zinc/28/42/49/598284249.db2.gz CDHUQULVAVYTNL-UHFFFAOYSA-N -1 3 378.480 3.294 20 0 GGADHM Cc1ccccc1C(C)(C)CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737414731 598284251 /nfs/dbraw/zinc/28/42/51/598284251.db2.gz CDHUQULVAVYTNL-UHFFFAOYSA-N -1 3 378.480 3.294 20 0 GGADHM NC(=O)[C@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccc1 ZINC000737739278 598285266 /nfs/dbraw/zinc/28/52/66/598285266.db2.gz XROGBGAONXJJSM-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM NC(=O)[C@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000737739278 598285267 /nfs/dbraw/zinc/28/52/67/598285267.db2.gz XROGBGAONXJJSM-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM C[C@]1(C(=O)OCCOc2ccccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000736208552 598291043 /nfs/dbraw/zinc/29/10/43/598291043.db2.gz XWFHIJJYNHTORZ-NRFANRHFSA-N -1 3 378.432 3.083 20 0 GGADHM C[C@]1(C(=O)OCCOc2ccccc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000736208552 598291045 /nfs/dbraw/zinc/29/10/45/598291045.db2.gz XWFHIJJYNHTORZ-NRFANRHFSA-N -1 3 378.432 3.083 20 0 GGADHM Cc1ccc2c(CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c[nH]c2c1 ZINC000737372766 598296007 /nfs/dbraw/zinc/29/60/07/598296007.db2.gz KDFIFIWHCFJKCO-UHFFFAOYSA-N -1 3 386.459 3.390 20 0 GGADHM Cc1ccc2c(CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c[nH]c2c1 ZINC000737372766 598296009 /nfs/dbraw/zinc/29/60/09/598296009.db2.gz KDFIFIWHCFJKCO-UHFFFAOYSA-N -1 3 386.459 3.390 20 0 GGADHM CC(C)c1nn(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(=S)n1C ZINC000735942817 598298211 /nfs/dbraw/zinc/29/82/11/598298211.db2.gz MBQGIFUOOGBGHJ-UHFFFAOYSA-N -1 3 386.529 3.123 20 0 GGADHM CC(C)c1nn(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(=S)n1C ZINC000735942817 598298213 /nfs/dbraw/zinc/29/82/13/598298213.db2.gz MBQGIFUOOGBGHJ-UHFFFAOYSA-N -1 3 386.529 3.123 20 0 GGADHM CC(C)c1ccc(OCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735928192 598298714 /nfs/dbraw/zinc/29/87/14/598298714.db2.gz HXTSPDKADIUWAC-UHFFFAOYSA-N -1 3 383.427 3.215 20 0 GGADHM CC(C)c1ccc(OCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735928192 598298716 /nfs/dbraw/zinc/29/87/16/598298716.db2.gz HXTSPDKADIUWAC-UHFFFAOYSA-N -1 3 383.427 3.215 20 0 GGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736194041 598299604 /nfs/dbraw/zinc/29/96/04/598299604.db2.gz XGBGQJJWVXBCQG-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736194041 598299606 /nfs/dbraw/zinc/29/96/06/598299606.db2.gz XGBGQJJWVXBCQG-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000737895285 598303163 /nfs/dbraw/zinc/30/31/63/598303163.db2.gz OBGQAKAPDXSEMR-UHFFFAOYSA-N -1 3 396.454 3.488 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)nc2ccccc21 ZINC000738103175 598305854 /nfs/dbraw/zinc/30/58/54/598305854.db2.gz ZKNIUSUHWZWMJD-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)nc2ccccc21 ZINC000738103175 598305856 /nfs/dbraw/zinc/30/58/56/598305856.db2.gz ZKNIUSUHWZWMJD-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2cccc(Cl)c21 ZINC000736171436 598307688 /nfs/dbraw/zinc/30/76/88/598307688.db2.gz WAGKEDHEGVHWNJ-GFCCVEGCSA-N -1 3 383.839 3.267 20 0 GGADHM Cc1cc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)c(C)s1 ZINC000737240451 598308383 /nfs/dbraw/zinc/30/83/83/598308383.db2.gz GOBXKTIWQZUNKS-UHFFFAOYSA-N -1 3 395.444 3.329 20 0 GGADHM Cc1cc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)c(C)s1 ZINC000737240451 598308385 /nfs/dbraw/zinc/30/83/85/598308385.db2.gz GOBXKTIWQZUNKS-UHFFFAOYSA-N -1 3 395.444 3.329 20 0 GGADHM O=C(C=C(C1CC1)C1CC1)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737789082 598309136 /nfs/dbraw/zinc/30/91/36/598309136.db2.gz BPJOUYIKIPTKBR-UHFFFAOYSA-N -1 3 391.431 3.083 20 0 GGADHM O=C(C=C(C1CC1)C1CC1)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737789082 598309139 /nfs/dbraw/zinc/30/91/39/598309139.db2.gz BPJOUYIKIPTKBR-UHFFFAOYSA-N -1 3 391.431 3.083 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737547063 598310715 /nfs/dbraw/zinc/31/07/15/598310715.db2.gz IMKIMRDOIPUVAM-UHFFFAOYSA-N -1 3 392.394 3.175 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737547063 598310717 /nfs/dbraw/zinc/31/07/17/598310717.db2.gz IMKIMRDOIPUVAM-UHFFFAOYSA-N -1 3 392.394 3.175 20 0 GGADHM Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737549585 598310788 /nfs/dbraw/zinc/31/07/88/598310788.db2.gz ZHCWXDVMBJCYMI-UHFFFAOYSA-N -1 3 384.396 3.307 20 0 GGADHM Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737549585 598310789 /nfs/dbraw/zinc/31/07/89/598310789.db2.gz ZHCWXDVMBJCYMI-UHFFFAOYSA-N -1 3 384.396 3.307 20 0 GGADHM CCOc1ccccc1OCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736655956 598311078 /nfs/dbraw/zinc/31/10/78/598311078.db2.gz YYJWLZCSHRGLEK-UHFFFAOYSA-N -1 3 399.426 3.227 20 0 GGADHM CCOc1ccccc1OCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736655956 598311080 /nfs/dbraw/zinc/31/10/80/598311080.db2.gz YYJWLZCSHRGLEK-UHFFFAOYSA-N -1 3 399.426 3.227 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736183911 598311101 /nfs/dbraw/zinc/31/11/01/598311101.db2.gz UMEVPQDTFFSRFX-SNVBAGLBSA-N -1 3 375.791 3.090 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736183911 598311103 /nfs/dbraw/zinc/31/11/03/598311103.db2.gz UMEVPQDTFFSRFX-SNVBAGLBSA-N -1 3 375.791 3.090 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1nc(Cl)ccc1Cl ZINC000737802648 598312501 /nfs/dbraw/zinc/31/25/01/598312501.db2.gz PZHBATMEEXMFPT-YVMONPNESA-N -1 3 376.203 3.325 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1nc(Cl)ccc1Cl ZINC000737802648 598312502 /nfs/dbraw/zinc/31/25/02/598312502.db2.gz PZHBATMEEXMFPT-YVMONPNESA-N -1 3 376.203 3.325 20 0 GGADHM c1cn(-c2ccccc2)nc1CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738426715 598314422 /nfs/dbraw/zinc/31/44/22/598314422.db2.gz TZCIYDRBQUBZMT-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM c1cc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)c2c(c1)OCCO2 ZINC000738413901 598314838 /nfs/dbraw/zinc/31/48/38/598314838.db2.gz ZXHDQYMIWKWQCO-UHFFFAOYSA-N -1 3 384.461 3.340 20 0 GGADHM CCCOc1c(CNCc2ccc(-c3nnn[n-]3)cc2F)cccc1OCC ZINC000736486925 598315617 /nfs/dbraw/zinc/31/56/17/598315617.db2.gz BDQBZIAVWDISEA-UHFFFAOYSA-N -1 3 385.443 3.483 20 0 GGADHM CCCOc1c(CNCc2ccc(-c3nn[n-]n3)cc2F)cccc1OCC ZINC000736486925 598315619 /nfs/dbraw/zinc/31/56/19/598315619.db2.gz BDQBZIAVWDISEA-UHFFFAOYSA-N -1 3 385.443 3.483 20 0 GGADHM O=C(CS[C@@H]1CCCc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737932849 598316145 /nfs/dbraw/zinc/31/61/45/598316145.db2.gz RFBUQDNORJPOKY-GOSISDBHSA-N -1 3 379.489 3.294 20 0 GGADHM O=C(CS[C@@H]1CCCc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737932849 598316147 /nfs/dbraw/zinc/31/61/47/598316147.db2.gz RFBUQDNORJPOKY-GOSISDBHSA-N -1 3 379.489 3.294 20 0 GGADHM COc1ccccc1CN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737150102 598318009 /nfs/dbraw/zinc/31/80/09/598318009.db2.gz MXNUDSKEMLANMY-UHFFFAOYSA-N -1 3 388.884 3.358 20 0 GGADHM COc1ccccc1CN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737150102 598318011 /nfs/dbraw/zinc/31/80/11/598318011.db2.gz MXNUDSKEMLANMY-UHFFFAOYSA-N -1 3 388.884 3.358 20 0 GGADHM CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735915598 598318579 /nfs/dbraw/zinc/31/85/79/598318579.db2.gz QKVZHCWSSOSVJR-ZDUSSCGKSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735915598 598318580 /nfs/dbraw/zinc/31/85/80/598318580.db2.gz QKVZHCWSSOSVJR-ZDUSSCGKSA-N -1 3 398.442 3.353 20 0 GGADHM Cc1cc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737265205 598318734 /nfs/dbraw/zinc/31/87/34/598318734.db2.gz UPXHFVNWXJLVCY-UHFFFAOYSA-N -1 3 376.848 3.454 20 0 GGADHM Cc1cc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737265205 598318735 /nfs/dbraw/zinc/31/87/35/598318735.db2.gz UPXHFVNWXJLVCY-UHFFFAOYSA-N -1 3 376.848 3.454 20 0 GGADHM CCCOc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736489853 598319346 /nfs/dbraw/zinc/31/93/46/598319346.db2.gz BWILCKAKOWKSLO-ZDUSSCGKSA-N -1 3 398.442 3.355 20 0 GGADHM CCCOc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736489853 598319349 /nfs/dbraw/zinc/31/93/49/598319349.db2.gz BWILCKAKOWKSLO-ZDUSSCGKSA-N -1 3 398.442 3.355 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736269394 598319955 /nfs/dbraw/zinc/31/99/55/598319955.db2.gz GTJGXOLVWLYIJZ-ABAIWWIYSA-N -1 3 394.932 3.402 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736269394 598319956 /nfs/dbraw/zinc/31/99/56/598319956.db2.gz GTJGXOLVWLYIJZ-ABAIWWIYSA-N -1 3 394.932 3.402 20 0 GGADHM O=C(CCCCCc1ccc(O)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737826092 598320878 /nfs/dbraw/zinc/32/08/78/598320878.db2.gz PELXIQHMOKPQHA-UHFFFAOYSA-N -1 3 383.427 3.131 20 0 GGADHM O=C(CCCCCc1ccc(O)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737826092 598320880 /nfs/dbraw/zinc/32/08/80/598320880.db2.gz PELXIQHMOKPQHA-UHFFFAOYSA-N -1 3 383.427 3.131 20 0 GGADHM COc1cccc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737132032 598320998 /nfs/dbraw/zinc/32/09/98/598320998.db2.gz UHURNSJYFFPXIF-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM COc1cccc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737132032 598321000 /nfs/dbraw/zinc/32/10/00/598321000.db2.gz UHURNSJYFFPXIF-UHFFFAOYSA-N -1 3 388.884 3.058 20 0 GGADHM CCc1nc(CN(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000736704243 598322813 /nfs/dbraw/zinc/32/28/13/598322813.db2.gz KQLKJWOHCGQAQY-UHFFFAOYSA-N -1 3 393.929 3.368 20 0 GGADHM CCc1nc(CN(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000736704243 598322814 /nfs/dbraw/zinc/32/28/14/598322814.db2.gz KQLKJWOHCGQAQY-UHFFFAOYSA-N -1 3 393.929 3.368 20 0 GGADHM CC(C)COc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735843862 598323580 /nfs/dbraw/zinc/32/35/80/598323580.db2.gz BZUQGUHLALJQQV-UHFFFAOYSA-N -1 3 384.415 3.362 20 0 GGADHM CC(C)COc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735843862 598323581 /nfs/dbraw/zinc/32/35/81/598323581.db2.gz BZUQGUHLALJQQV-UHFFFAOYSA-N -1 3 384.415 3.362 20 0 GGADHM COc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737103885 598324588 /nfs/dbraw/zinc/32/45/88/598324588.db2.gz KBOBPMQDPFJYKY-UHFFFAOYSA-N -1 3 391.387 3.300 20 0 GGADHM COc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737103885 598324591 /nfs/dbraw/zinc/32/45/91/598324591.db2.gz KBOBPMQDPFJYKY-UHFFFAOYSA-N -1 3 391.387 3.300 20 0 GGADHM S=C(NCc1cc2ccccc2[nH]1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400684 598325187 /nfs/dbraw/zinc/32/51/87/598325187.db2.gz IQCHCHFXMPNXSH-UHFFFAOYSA-N -1 3 383.868 3.488 20 0 GGADHM S=C(NCc1cc2ccccc2[nH]1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400684 598325189 /nfs/dbraw/zinc/32/51/89/598325189.db2.gz IQCHCHFXMPNXSH-UHFFFAOYSA-N -1 3 383.868 3.488 20 0 GGADHM CC(C)(C)Oc1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735640085 598325429 /nfs/dbraw/zinc/32/54/29/598325429.db2.gz WWIORCSVBYBMEH-UHFFFAOYSA-N -1 3 398.442 3.183 20 0 GGADHM CC(C)(C)Oc1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735640085 598325431 /nfs/dbraw/zinc/32/54/31/598325431.db2.gz WWIORCSVBYBMEH-UHFFFAOYSA-N -1 3 398.442 3.183 20 0 GGADHM Cc1csc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737451972 598325978 /nfs/dbraw/zinc/32/59/78/598325978.db2.gz IBKPQNBJXAGYDP-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM Cc1csc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737451972 598325980 /nfs/dbraw/zinc/32/59/80/598325980.db2.gz IBKPQNBJXAGYDP-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N(Cc1ccco1)C1CCCC1 ZINC000738099432 598327267 /nfs/dbraw/zinc/32/72/67/598327267.db2.gz DZEGNRQYSFWESD-UHFFFAOYSA-N -1 3 384.415 3.253 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N(Cc1ccco1)C1CCCC1 ZINC000738099432 598327269 /nfs/dbraw/zinc/32/72/69/598327269.db2.gz DZEGNRQYSFWESD-UHFFFAOYSA-N -1 3 384.415 3.253 20 0 GGADHM CC(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735832247 598327561 /nfs/dbraw/zinc/32/75/61/598327561.db2.gz YHCKWZUNMODVBK-UHFFFAOYSA-N -1 3 382.443 3.374 20 0 GGADHM CC(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735832247 598327562 /nfs/dbraw/zinc/32/75/62/598327562.db2.gz YHCKWZUNMODVBK-UHFFFAOYSA-N -1 3 382.443 3.374 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736556697 598328346 /nfs/dbraw/zinc/32/83/46/598328346.db2.gz RBPSTGQEDKZNCC-UHFFFAOYSA-N -1 3 388.834 3.391 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736556697 598328347 /nfs/dbraw/zinc/32/83/47/598328347.db2.gz RBPSTGQEDKZNCC-UHFFFAOYSA-N -1 3 388.834 3.391 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736557823 598328677 /nfs/dbraw/zinc/32/86/77/598328677.db2.gz BGMMGSNMPKGGRA-UHFFFAOYSA-N -1 3 394.863 3.452 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736557823 598328679 /nfs/dbraw/zinc/32/86/79/598328679.db2.gz BGMMGSNMPKGGRA-UHFFFAOYSA-N -1 3 394.863 3.452 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736224484 598330062 /nfs/dbraw/zinc/33/00/62/598330062.db2.gz MXYWHKLSCHKPOV-KBPBESRZSA-N -1 3 381.436 3.157 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736224484 598330064 /nfs/dbraw/zinc/33/00/64/598330064.db2.gz MXYWHKLSCHKPOV-KBPBESRZSA-N -1 3 381.436 3.157 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000738232207 598332316 /nfs/dbraw/zinc/33/23/16/598332316.db2.gz IKLVZVKZNGTHEM-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000738232207 598332318 /nfs/dbraw/zinc/33/23/18/598332318.db2.gz IKLVZVKZNGTHEM-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM COc1ccccc1CC1CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000737152994 598353725 /nfs/dbraw/zinc/35/37/25/598353725.db2.gz NUOYRRGMRPITRR-UHFFFAOYSA-N -1 3 378.480 3.346 20 0 GGADHM COc1ccccc1CC1CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000737152994 598353727 /nfs/dbraw/zinc/35/37/27/598353727.db2.gz NUOYRRGMRPITRR-UHFFFAOYSA-N -1 3 378.480 3.346 20 0 GGADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820220465 607353526 /nfs/dbraw/zinc/35/35/26/607353526.db2.gz VNQPAFBNYCXCCF-PIGZYNQJSA-N -1 3 398.854 3.376 20 0 GGADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820220465 607353529 /nfs/dbraw/zinc/35/35/29/607353529.db2.gz VNQPAFBNYCXCCF-PIGZYNQJSA-N -1 3 398.854 3.376 20 0 GGADHM CCC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820841642 607353633 /nfs/dbraw/zinc/35/36/33/607353633.db2.gz BFSUGDRWUGPTQO-UHFFFAOYSA-N -1 3 379.420 3.256 20 0 GGADHM CCC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820841642 607353634 /nfs/dbraw/zinc/35/36/34/607353634.db2.gz BFSUGDRWUGPTQO-UHFFFAOYSA-N -1 3 379.420 3.256 20 0 GGADHM CC(C)(C)c1ccccc1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000819958824 607353656 /nfs/dbraw/zinc/35/36/56/607353656.db2.gz QUJRNKWOGHGHTH-UHFFFAOYSA-N -1 3 385.449 3.021 20 0 GGADHM CC(C)(C)c1ccccc1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000819958824 607353657 /nfs/dbraw/zinc/35/36/57/607353657.db2.gz QUJRNKWOGHGHTH-UHFFFAOYSA-N -1 3 385.449 3.021 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000736633503 598358628 /nfs/dbraw/zinc/35/86/28/598358628.db2.gz CAZMAQIKKKUEMI-UHFFFAOYSA-N -1 3 396.432 3.163 20 0 GGADHM Cc1sc(NC(=O)Cc2coc(-c3cccs3)n2)c(-c2nnn[n-]2)c1C ZINC000737562608 598359133 /nfs/dbraw/zinc/35/91/33/598359133.db2.gz KNWKMEWZEZZYEO-UHFFFAOYSA-N -1 3 386.462 3.443 20 0 GGADHM Cc1sc(NC(=O)Cc2coc(-c3cccs3)n2)c(-c2nn[n-]n2)c1C ZINC000737562608 598359134 /nfs/dbraw/zinc/35/91/34/598359134.db2.gz KNWKMEWZEZZYEO-UHFFFAOYSA-N -1 3 386.462 3.443 20 0 GGADHM C[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736103718 598360053 /nfs/dbraw/zinc/36/00/53/598360053.db2.gz CHKBGYAUGUZZCL-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736103718 598360055 /nfs/dbraw/zinc/36/00/55/598360055.db2.gz CHKBGYAUGUZZCL-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737145022 598361322 /nfs/dbraw/zinc/36/13/22/598361322.db2.gz APGMBOWYMCXQIQ-SFHVURJKSA-N -1 3 377.448 3.172 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737145022 598361323 /nfs/dbraw/zinc/36/13/23/598361323.db2.gz APGMBOWYMCXQIQ-SFHVURJKSA-N -1 3 377.448 3.172 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000736182797 598361806 /nfs/dbraw/zinc/36/18/06/598361806.db2.gz PXCWCRQIMNPVNM-SJLPKXTDSA-N -1 3 391.475 3.115 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000736182797 598361808 /nfs/dbraw/zinc/36/18/08/598361808.db2.gz PXCWCRQIMNPVNM-SJLPKXTDSA-N -1 3 391.475 3.115 20 0 GGADHM Cc1ccc(C)n1C1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737329262 598362636 /nfs/dbraw/zinc/36/26/36/598362636.db2.gz IPERRUYSQQUXCV-MRXNPFEDSA-N -1 3 393.495 3.393 20 0 GGADHM Cc1ccc(C)n1C1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737329262 598362638 /nfs/dbraw/zinc/36/26/38/598362638.db2.gz IPERRUYSQQUXCV-MRXNPFEDSA-N -1 3 393.495 3.393 20 0 GGADHM COc1ccc(C(C)(C)CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1OC ZINC000737073467 598363317 /nfs/dbraw/zinc/36/33/17/598363317.db2.gz RMCBKOCZWPRYTJ-UHFFFAOYSA-N -1 3 394.479 3.157 20 0 GGADHM COc1ccc(C(C)(C)CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1OC ZINC000737073467 598363319 /nfs/dbraw/zinc/36/33/19/598363319.db2.gz RMCBKOCZWPRYTJ-UHFFFAOYSA-N -1 3 394.479 3.157 20 0 GGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSCc1ccc(Cl)cc1 ZINC000738383999 598363861 /nfs/dbraw/zinc/36/38/61/598363861.db2.gz CQCKDNRPXIVNAH-OAHLLOKOSA-N -1 3 376.869 3.193 20 0 GGADHM Cn1c(=O)oc2cc(-c3csc(Nc4ccc(-c5nn[n-]n5)cc4)n3)ccc21 ZINC000737590453 598369890 /nfs/dbraw/zinc/36/98/90/598369890.db2.gz PDLZROBJZMVOQA-UHFFFAOYSA-N -1 3 391.416 3.179 20 0 GGADHM C[C@H](NC(=O)NC1CC(C)(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112980 598370914 /nfs/dbraw/zinc/37/09/14/598370914.db2.gz LLPNHLXYKCLDKU-DFLTZVLMSA-N -1 3 376.464 3.347 20 0 GGADHM C[C@H](NC(=O)NC1CC(C)(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112980 598370916 /nfs/dbraw/zinc/37/09/16/598370916.db2.gz LLPNHLXYKCLDKU-DFLTZVLMSA-N -1 3 376.464 3.347 20 0 GGADHM O=C(Cc1coc(-c2cccs2)n1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737978033 598371961 /nfs/dbraw/zinc/37/19/61/598371961.db2.gz NKGWDFSLTIGKGC-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM O=C(Cc1coc(-c2cccs2)n1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737978033 598371963 /nfs/dbraw/zinc/37/19/63/598371963.db2.gz NKGWDFSLTIGKGC-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737062278 598372483 /nfs/dbraw/zinc/37/24/83/598372483.db2.gz IDNRFIDUUUMDAG-INIZCTEOSA-N -1 3 392.463 3.362 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737062278 598372485 /nfs/dbraw/zinc/37/24/85/598372485.db2.gz IDNRFIDUUUMDAG-INIZCTEOSA-N -1 3 392.463 3.362 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)COc2ccccc2Cl)n1 ZINC000737241487 598372584 /nfs/dbraw/zinc/37/25/84/598372584.db2.gz RDJOJNUHTGEWRP-LBPRGKRZSA-N -1 3 391.884 3.064 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)COc2ccccc2Cl)n1 ZINC000737241487 598372586 /nfs/dbraw/zinc/37/25/86/598372586.db2.gz RDJOJNUHTGEWRP-LBPRGKRZSA-N -1 3 391.884 3.064 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(c2nccs2)CC1 ZINC000738151385 598373458 /nfs/dbraw/zinc/37/34/58/598373458.db2.gz HNEKTSIHELQIMQ-UHFFFAOYSA-N -1 3 389.872 3.388 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(c2nccs2)CC1 ZINC000738151385 598373460 /nfs/dbraw/zinc/37/34/60/598373460.db2.gz HNEKTSIHELQIMQ-UHFFFAOYSA-N -1 3 389.872 3.388 20 0 GGADHM CCOc1ccc(OCC)c(NC(=S)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736651887 598377970 /nfs/dbraw/zinc/37/79/70/598377970.db2.gz RHJMVCONMUJYNV-UHFFFAOYSA-N -1 3 398.492 3.497 20 0 GGADHM CCOc1ccc(OCC)c(NC(=S)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736651887 598377972 /nfs/dbraw/zinc/37/79/72/598377972.db2.gz RHJMVCONMUJYNV-UHFFFAOYSA-N -1 3 398.492 3.497 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1csc(Cc2ccc(F)cc2)n1 ZINC000738250610 598380462 /nfs/dbraw/zinc/38/04/62/598380462.db2.gz JAJMCQRNLPTHHD-UHFFFAOYSA-N -1 3 381.392 3.272 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2ccc(F)cc2)n1 ZINC000738250610 598380463 /nfs/dbraw/zinc/38/04/63/598380463.db2.gz JAJMCQRNLPTHHD-UHFFFAOYSA-N -1 3 381.392 3.272 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737549378 598380828 /nfs/dbraw/zinc/38/08/28/598380828.db2.gz WHKCSNZGTFMUIH-UHFFFAOYSA-N -1 3 394.460 3.093 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737549378 598380830 /nfs/dbraw/zinc/38/08/30/598380830.db2.gz WHKCSNZGTFMUIH-UHFFFAOYSA-N -1 3 394.460 3.093 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000737960427 598382406 /nfs/dbraw/zinc/38/24/06/598382406.db2.gz GWGKVVYYUJICIG-UHFFFAOYSA-N -1 3 397.345 3.036 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000737960427 598382408 /nfs/dbraw/zinc/38/24/08/598382408.db2.gz GWGKVVYYUJICIG-UHFFFAOYSA-N -1 3 397.345 3.036 20 0 GGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738151699 598382537 /nfs/dbraw/zinc/38/25/37/598382537.db2.gz UPDLJJSEWVSFAZ-UHFFFAOYSA-N -1 3 383.318 3.107 20 0 GGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738151699 598382538 /nfs/dbraw/zinc/38/25/38/598382538.db2.gz UPDLJJSEWVSFAZ-UHFFFAOYSA-N -1 3 383.318 3.107 20 0 GGADHM Cc1[nH]nc2nc(C)cc(C(=O)N(CC(C)C)c3ccc(-c4nnn[n-]4)cc3)c12 ZINC000737227397 598384275 /nfs/dbraw/zinc/38/42/75/598384275.db2.gz KFZJMSRLFPKTSW-UHFFFAOYSA-N -1 3 390.451 3.058 20 0 GGADHM Cc1[nH]nc2nc(C)cc(C(=O)N(CC(C)C)c3ccc(-c4nn[n-]n4)cc3)c12 ZINC000737227397 598384277 /nfs/dbraw/zinc/38/42/77/598384277.db2.gz KFZJMSRLFPKTSW-UHFFFAOYSA-N -1 3 390.451 3.058 20 0 GGADHM Cc1c(NC(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cccc1-c1nnn[n-]1 ZINC000822077554 607355614 /nfs/dbraw/zinc/35/56/14/607355614.db2.gz WPXAAIOVCYEKQN-UGSOOPFHSA-N -1 3 378.436 3.031 20 0 GGADHM Cc1c(NC(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cccc1-c1nn[n-]n1 ZINC000822077554 607355617 /nfs/dbraw/zinc/35/56/17/607355617.db2.gz WPXAAIOVCYEKQN-UGSOOPFHSA-N -1 3 378.436 3.031 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000737963258 598385812 /nfs/dbraw/zinc/38/58/12/598385812.db2.gz TWXMJYPSBIVTAT-UHFFFAOYSA-N -1 3 381.867 3.301 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000737963258 598385814 /nfs/dbraw/zinc/38/58/14/598385814.db2.gz TWXMJYPSBIVTAT-UHFFFAOYSA-N -1 3 381.867 3.301 20 0 GGADHM COc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(F)F ZINC000737047812 598386515 /nfs/dbraw/zinc/38/65/15/598386515.db2.gz RXAXHIPHQYUQAQ-UHFFFAOYSA-N -1 3 382.758 3.137 20 0 GGADHM COc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(F)F ZINC000737047812 598386516 /nfs/dbraw/zinc/38/65/16/598386516.db2.gz RXAXHIPHQYUQAQ-UHFFFAOYSA-N -1 3 382.758 3.137 20 0 GGADHM CN(Cc1ccccc1OC(F)(F)F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736827809 598387354 /nfs/dbraw/zinc/38/73/54/598387354.db2.gz BRFVNZAXLYPHNI-UHFFFAOYSA-N -1 3 384.749 3.450 20 0 GGADHM CN(Cc1ccccc1OC(F)(F)F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736827809 598387356 /nfs/dbraw/zinc/38/73/56/598387356.db2.gz BRFVNZAXLYPHNI-UHFFFAOYSA-N -1 3 384.749 3.450 20 0 GGADHM CN(Cc1cc(Br)cs1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736815804 598390906 /nfs/dbraw/zinc/39/09/06/598390906.db2.gz XNGQTUBSTALPGN-UHFFFAOYSA-N -1 3 385.678 3.376 20 0 GGADHM CN(Cc1cc(Br)cs1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736815804 598390908 /nfs/dbraw/zinc/39/09/08/598390908.db2.gz XNGQTUBSTALPGN-UHFFFAOYSA-N -1 3 385.678 3.376 20 0 GGADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000736136620 598391980 /nfs/dbraw/zinc/39/19/80/598391980.db2.gz IEYCUBGGBXBQNW-LLVKDONJSA-N -1 3 383.843 3.215 20 0 GGADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000736136620 598391982 /nfs/dbraw/zinc/39/19/82/598391982.db2.gz IEYCUBGGBXBQNW-LLVKDONJSA-N -1 3 383.843 3.215 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000736627097 598393657 /nfs/dbraw/zinc/39/36/57/598393657.db2.gz KJNQSYCSQNLVSW-UHFFFAOYSA-N -1 3 396.447 3.448 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000736627097 598393659 /nfs/dbraw/zinc/39/36/59/598393659.db2.gz KJNQSYCSQNLVSW-UHFFFAOYSA-N -1 3 396.447 3.448 20 0 GGADHM Cc1ccsc1-c1nnc(SCCOc2ccccc2-c2nnn[n-]2)o1 ZINC000737442286 598394404 /nfs/dbraw/zinc/39/44/04/598394404.db2.gz PCNBLBDFBQYHFM-UHFFFAOYSA-N -1 3 386.462 3.458 20 0 GGADHM Cc1ccsc1-c1nnc(SCCOc2ccccc2-c2nn[n-]n2)o1 ZINC000737442286 598394406 /nfs/dbraw/zinc/39/44/06/598394406.db2.gz PCNBLBDFBQYHFM-UHFFFAOYSA-N -1 3 386.462 3.458 20 0 GGADHM Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000737270590 598395426 /nfs/dbraw/zinc/39/54/26/598395426.db2.gz DJTCZXQNESDGAF-UHFFFAOYSA-N -1 3 392.463 3.101 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000737221498 598395767 /nfs/dbraw/zinc/39/57/67/598395767.db2.gz LDHQKPRNENWDKA-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM COc1ccccc1C/C(C)=C/C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152939 598395946 /nfs/dbraw/zinc/39/59/46/598395946.db2.gz MYDCQUCYKTYRTR-SZGUKTLCSA-N -1 3 377.448 3.242 20 0 GGADHM COc1ccccc1C/C(C)=C/C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152939 598395948 /nfs/dbraw/zinc/39/59/48/598395948.db2.gz MYDCQUCYKTYRTR-SZGUKTLCSA-N -1 3 377.448 3.242 20 0 GGADHM Cc1ccccc1C1CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737422174 598397932 /nfs/dbraw/zinc/39/79/32/598397932.db2.gz LPFRNDGWTBKOPB-INIZCTEOSA-N -1 3 391.475 3.349 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735733968 598398467 /nfs/dbraw/zinc/39/84/67/598398467.db2.gz DLLKRUWGCKYZMR-HKUYNNGSSA-N -1 3 395.438 3.213 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735733968 598398469 /nfs/dbraw/zinc/39/84/69/598398469.db2.gz DLLKRUWGCKYZMR-HKUYNNGSSA-N -1 3 395.438 3.213 20 0 GGADHM CC1(COC(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)COC1 ZINC000736217471 598414057 /nfs/dbraw/zinc/41/40/57/598414057.db2.gz WCQMJPRMBISHME-UHFFFAOYSA-N -1 3 396.472 3.352 20 0 GGADHM CC1(COC(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)COC1 ZINC000736217471 598414059 /nfs/dbraw/zinc/41/40/59/598414059.db2.gz WCQMJPRMBISHME-UHFFFAOYSA-N -1 3 396.472 3.352 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(N(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000737559852 598420218 /nfs/dbraw/zinc/42/02/18/598420218.db2.gz AUOHPRBKGYBQPV-HUUCEWRRSA-N -1 3 382.493 3.353 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(N(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000737559852 598420220 /nfs/dbraw/zinc/42/02/20/598420220.db2.gz AUOHPRBKGYBQPV-HUUCEWRRSA-N -1 3 382.493 3.353 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737151433 598421417 /nfs/dbraw/zinc/42/14/17/598421417.db2.gz BRRDVUNTYVYKMC-OAHLLOKOSA-N -1 3 379.464 3.103 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737151433 598421419 /nfs/dbraw/zinc/42/14/19/598421419.db2.gz BRRDVUNTYVYKMC-OAHLLOKOSA-N -1 3 379.464 3.103 20 0 GGADHM C[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736105102 598422171 /nfs/dbraw/zinc/42/21/71/598422171.db2.gz MHYLWBXYNJANFC-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736105102 598422172 /nfs/dbraw/zinc/42/21/72/598422172.db2.gz MHYLWBXYNJANFC-GFCCVEGCSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736107066 598422197 /nfs/dbraw/zinc/42/21/97/598422197.db2.gz WVSWATLPVZHSGD-LBPRGKRZSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736107066 598422198 /nfs/dbraw/zinc/42/21/98/598422198.db2.gz WVSWATLPVZHSGD-LBPRGKRZSA-N -1 3 379.445 3.338 20 0 GGADHM C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736105071 598424364 /nfs/dbraw/zinc/42/43/64/598424364.db2.gz LOSOPIPCTCRGIZ-LBPRGKRZSA-N -1 3 379.445 3.338 20 0 GGADHM COC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccc1 ZINC000736975661 598426218 /nfs/dbraw/zinc/42/62/18/598426218.db2.gz BHQPIUIBGIXGMF-KRWDZBQOSA-N -1 3 396.451 3.163 20 0 GGADHM COC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccc1 ZINC000736975661 598426220 /nfs/dbraw/zinc/42/62/20/598426220.db2.gz BHQPIUIBGIXGMF-KRWDZBQOSA-N -1 3 396.451 3.163 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)Cc1cccs1 ZINC000736067045 598427767 /nfs/dbraw/zinc/42/77/67/598427767.db2.gz UNTSEEROPIUASW-CQSZACIVSA-N -1 3 384.509 3.479 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)Cc1cccs1 ZINC000736067045 598427768 /nfs/dbraw/zinc/42/77/68/598427768.db2.gz UNTSEEROPIUASW-CQSZACIVSA-N -1 3 384.509 3.479 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCc2occc21 ZINC000735874693 598427863 /nfs/dbraw/zinc/42/78/63/598427863.db2.gz MFDOXTMGTQMIQO-QGZVFWFLSA-N -1 3 380.452 3.457 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCc2occc21 ZINC000735874693 598427865 /nfs/dbraw/zinc/42/78/65/598427865.db2.gz MFDOXTMGTQMIQO-QGZVFWFLSA-N -1 3 380.452 3.457 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1cccc(F)c1 ZINC000735875061 598427980 /nfs/dbraw/zinc/42/79/80/598427980.db2.gz YVHLPBSRNZHGDA-UHFFFAOYSA-N -1 3 382.443 3.169 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1cccc(F)c1 ZINC000735875061 598427982 /nfs/dbraw/zinc/42/79/82/598427982.db2.gz YVHLPBSRNZHGDA-UHFFFAOYSA-N -1 3 382.443 3.169 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)nc1 ZINC000735874562 598429324 /nfs/dbraw/zinc/42/93/24/598429324.db2.gz QXUARFFKKHLXCW-UHFFFAOYSA-N -1 3 385.859 3.035 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)nc1 ZINC000735874562 598429325 /nfs/dbraw/zinc/42/93/25/598429325.db2.gz QXUARFFKKHLXCW-UHFFFAOYSA-N -1 3 385.859 3.035 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](COC)c1ccccc1 ZINC000736480212 598429947 /nfs/dbraw/zinc/42/99/47/598429947.db2.gz LYIDQUYNPYSGRX-LJQANCHMSA-N -1 3 394.479 3.176 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](COC)c1ccccc1 ZINC000736480212 598429949 /nfs/dbraw/zinc/42/99/49/598429949.db2.gz LYIDQUYNPYSGRX-LJQANCHMSA-N -1 3 394.479 3.176 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736997474 598431181 /nfs/dbraw/zinc/43/11/81/598431181.db2.gz PKFBMQMUZMQCCU-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736997474 598431184 /nfs/dbraw/zinc/43/11/84/598431184.db2.gz PKFBMQMUZMQCCU-UHFFFAOYSA-N -1 3 393.825 3.447 20 0 GGADHM O=C(CCc1cc(Br)cs1)OCc1ccccc1-c1nnn[n-]1 ZINC000737853164 598431575 /nfs/dbraw/zinc/43/15/75/598431575.db2.gz PLVNJRDTGVPEOH-UHFFFAOYSA-N -1 3 393.266 3.367 20 0 GGADHM O=C(CCc1cc(Br)cs1)OCc1ccccc1-c1nn[n-]n1 ZINC000737853164 598431576 /nfs/dbraw/zinc/43/15/76/598431576.db2.gz PLVNJRDTGVPEOH-UHFFFAOYSA-N -1 3 393.266 3.367 20 0 GGADHM CCc1nc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000736704840 598434436 /nfs/dbraw/zinc/43/44/36/598434436.db2.gz UVBYAPTVZHCMGY-UHFFFAOYSA-N -1 3 379.902 3.026 20 0 GGADHM CCc1nc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000736704840 598434438 /nfs/dbraw/zinc/43/44/38/598434438.db2.gz UVBYAPTVZHCMGY-UHFFFAOYSA-N -1 3 379.902 3.026 20 0 GGADHM CCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1OCCC ZINC000736491689 598436258 /nfs/dbraw/zinc/43/62/58/598436258.db2.gz WZUNWIZARAAYNL-UHFFFAOYSA-N -1 3 382.424 3.092 20 0 GGADHM CCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1OCCC ZINC000736491689 598436260 /nfs/dbraw/zinc/43/62/60/598436260.db2.gz WZUNWIZARAAYNL-UHFFFAOYSA-N -1 3 382.424 3.092 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737098515 598438447 /nfs/dbraw/zinc/43/84/47/598438447.db2.gz FMPYPDLWIAQRMY-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737098515 598438448 /nfs/dbraw/zinc/43/84/48/598438448.db2.gz FMPYPDLWIAQRMY-UHFFFAOYSA-N -1 3 392.444 3.179 20 0 GGADHM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736295779 598439648 /nfs/dbraw/zinc/43/96/48/598439648.db2.gz XXFWLWLRLXSAFL-DYVFJYSZSA-N -1 3 380.477 3.026 20 0 GGADHM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736295779 598439650 /nfs/dbraw/zinc/43/96/50/598439650.db2.gz XXFWLWLRLXSAFL-DYVFJYSZSA-N -1 3 380.477 3.026 20 0 GGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738190431 598441297 /nfs/dbraw/zinc/44/12/97/598441297.db2.gz MZZLNTNCSQLIKP-UHFFFAOYSA-N -1 3 380.355 3.168 20 0 GGADHM O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738190431 598441299 /nfs/dbraw/zinc/44/12/99/598441299.db2.gz MZZLNTNCSQLIKP-UHFFFAOYSA-N -1 3 380.355 3.168 20 0 GGADHM Cn1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1C(F)F ZINC000737621547 598441829 /nfs/dbraw/zinc/44/18/29/598441829.db2.gz IWFMLFNQVODFBI-UHFFFAOYSA-N -1 3 393.423 3.121 20 0 GGADHM Cn1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1C(F)F ZINC000737621547 598441830 /nfs/dbraw/zinc/44/18/30/598441830.db2.gz IWFMLFNQVODFBI-UHFFFAOYSA-N -1 3 393.423 3.121 20 0 GGADHM Cc1nc(CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccc(F)cc2)cs1 ZINC000737471568 598444981 /nfs/dbraw/zinc/44/49/81/598444981.db2.gz JUFHLOGSKOONCP-UHFFFAOYSA-N -1 3 395.423 3.013 20 0 GGADHM Cc1nc(CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccc(F)cc2)cs1 ZINC000737471568 598444982 /nfs/dbraw/zinc/44/49/82/598444982.db2.gz JUFHLOGSKOONCP-UHFFFAOYSA-N -1 3 395.423 3.013 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1c(Cl)ccc(F)c1Cl ZINC000736117227 598446416 /nfs/dbraw/zinc/44/64/16/598446416.db2.gz FFDAXEPDIKFCKF-ZETCQYMHSA-N -1 3 381.198 3.199 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1c(Cl)ccc(F)c1Cl ZINC000736117227 598446418 /nfs/dbraw/zinc/44/64/18/598446418.db2.gz FFDAXEPDIKFCKF-ZETCQYMHSA-N -1 3 381.198 3.199 20 0 GGADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1sccc1-c1nnn[n-]1 ZINC000738041297 598448146 /nfs/dbraw/zinc/44/81/46/598448146.db2.gz YOWVJWCISVHGAN-UHFFFAOYSA-N -1 3 393.394 3.409 20 0 GGADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1sccc1-c1nn[n-]n1 ZINC000738041297 598448147 /nfs/dbraw/zinc/44/81/47/598448147.db2.gz YOWVJWCISVHGAN-UHFFFAOYSA-N -1 3 393.394 3.409 20 0 GGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736828356 598448152 /nfs/dbraw/zinc/44/81/52/598448152.db2.gz NTZXACPWBQLGNF-UHFFFAOYSA-N -1 3 385.431 3.150 20 0 GGADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736828356 598448153 /nfs/dbraw/zinc/44/81/53/598448153.db2.gz NTZXACPWBQLGNF-UHFFFAOYSA-N -1 3 385.431 3.150 20 0 GGADHM Clc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1-n1cccn1 ZINC000737566565 598458566 /nfs/dbraw/zinc/45/85/66/598458566.db2.gz VFBKQJLEIINEPS-UHFFFAOYSA-N -1 3 381.827 3.197 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)C=Cc1ccccc1Cl ZINC000737221828 598464767 /nfs/dbraw/zinc/46/47/67/598464767.db2.gz PJOGRBZSLGGTMN-HJWRWDBZSA-N -1 3 376.825 3.208 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)C=Cc1ccccc1Cl ZINC000737221828 598464769 /nfs/dbraw/zinc/46/47/69/598464769.db2.gz PJOGRBZSLGGTMN-HJWRWDBZSA-N -1 3 376.825 3.208 20 0 GGADHM O=C(CC1CCCC1)N1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737815401 598468001 /nfs/dbraw/zinc/46/80/01/598468001.db2.gz VATBDLGUVSWHBJ-UHFFFAOYSA-N -1 3 388.903 3.139 20 0 GGADHM O=C(CC1CCCC1)N1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737815401 598468002 /nfs/dbraw/zinc/46/80/02/598468002.db2.gz VATBDLGUVSWHBJ-UHFFFAOYSA-N -1 3 388.903 3.139 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738112243 598470777 /nfs/dbraw/zinc/47/07/77/598470777.db2.gz NJDWWZOJYIISGB-SFHVURJKSA-N -1 3 376.464 3.346 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738112243 598470779 /nfs/dbraw/zinc/47/07/79/598470779.db2.gz NJDWWZOJYIISGB-SFHVURJKSA-N -1 3 376.464 3.346 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000736279394 598476291 /nfs/dbraw/zinc/47/62/91/598476291.db2.gz KSFBAHFJTIITHL-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000736279394 598476293 /nfs/dbraw/zinc/47/62/93/598476293.db2.gz KSFBAHFJTIITHL-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM Cc1ccccc1C[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737427117 598478097 /nfs/dbraw/zinc/47/80/97/598478097.db2.gz QLKMSPWWIHGFPX-INIZCTEOSA-N -1 3 390.491 3.480 20 0 GGADHM Cc1ccccc1C[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737427117 598478099 /nfs/dbraw/zinc/47/80/99/598478099.db2.gz QLKMSPWWIHGFPX-INIZCTEOSA-N -1 3 390.491 3.480 20 0 GGADHM O=C(NCc1ccc(F)cc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738102729 598480726 /nfs/dbraw/zinc/48/07/26/598480726.db2.gz AZJNNRNASIXTBZ-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM O=C(NCc1ccc(F)cc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738102729 598480728 /nfs/dbraw/zinc/48/07/28/598480728.db2.gz AZJNNRNASIXTBZ-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM CCn1cc(Br)cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736718462 598483384 /nfs/dbraw/zinc/48/33/84/598483384.db2.gz LUGLGWCNMGYLPQ-JTQLQIEISA-N -1 3 390.241 3.369 20 0 GGADHM CCn1cc(Br)cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736718462 598483385 /nfs/dbraw/zinc/48/33/85/598483385.db2.gz LUGLGWCNMGYLPQ-JTQLQIEISA-N -1 3 390.241 3.369 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737545999 598483633 /nfs/dbraw/zinc/48/36/33/598483633.db2.gz AZGJMAXKAHWTLM-LLVKDONJSA-N -1 3 379.376 3.270 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737545999 598483635 /nfs/dbraw/zinc/48/36/35/598483635.db2.gz AZGJMAXKAHWTLM-LLVKDONJSA-N -1 3 379.376 3.270 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000736821015 598483867 /nfs/dbraw/zinc/48/38/67/598483867.db2.gz UEZWGJJHLZJHGH-UHFFFAOYSA-N -1 3 389.463 3.122 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000736821015 598483868 /nfs/dbraw/zinc/48/38/68/598483868.db2.gz UEZWGJJHLZJHGH-UHFFFAOYSA-N -1 3 389.463 3.122 20 0 GGADHM CC1=NN(c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000736229572 598484712 /nfs/dbraw/zinc/48/47/12/598484712.db2.gz NPCUUQNKFPNAIX-AWEZNQCLSA-N -1 3 376.420 3.371 20 0 GGADHM CC1=NN(c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000736229572 598484714 /nfs/dbraw/zinc/48/47/14/598484714.db2.gz NPCUUQNKFPNAIX-AWEZNQCLSA-N -1 3 376.420 3.371 20 0 GGADHM Cc1cc(Br)oc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737231584 598485325 /nfs/dbraw/zinc/48/53/25/598485325.db2.gz POBDKBJHEFPGLJ-SECBINFHSA-N -1 3 377.198 3.449 20 0 GGADHM Cc1cc(Br)oc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737231584 598485327 /nfs/dbraw/zinc/48/53/27/598485327.db2.gz POBDKBJHEFPGLJ-SECBINFHSA-N -1 3 377.198 3.449 20 0 GGADHM COc1cccc(CO[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737133047 598485532 /nfs/dbraw/zinc/48/55/32/598485532.db2.gz WLIGNIBRPCZQPP-KBPBESRZSA-N -1 3 382.420 3.085 20 0 GGADHM COc1cccc(CO[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737133047 598485535 /nfs/dbraw/zinc/48/55/35/598485535.db2.gz WLIGNIBRPCZQPP-KBPBESRZSA-N -1 3 382.420 3.085 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156731 598487884 /nfs/dbraw/zinc/48/78/84/598487884.db2.gz DTKORILSXDQQNX-FHSNZYRGSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156731 598487886 /nfs/dbraw/zinc/48/78/86/598487886.db2.gz DTKORILSXDQQNX-FHSNZYRGSA-N -1 3 391.431 3.379 20 0 GGADHM C[C@H](OC(=O)CCc1nnc(-c2ccsc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152759 598488001 /nfs/dbraw/zinc/48/80/01/598488001.db2.gz VEAOIKXDFKJKTR-NSHDSACASA-N -1 3 396.432 3.215 20 0 GGADHM C[C@H](OC(=O)CCc1nnc(-c2ccsc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152759 598488002 /nfs/dbraw/zinc/48/80/02/598488002.db2.gz VEAOIKXDFKJKTR-NSHDSACASA-N -1 3 396.432 3.215 20 0 GGADHM COc1ccc2[nH]cc(CC(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000737115363 598488524 /nfs/dbraw/zinc/48/85/24/598488524.db2.gz PCOXTFDJONKWQX-LBPRGKRZSA-N -1 3 377.404 3.204 20 0 GGADHM COc1ccc2[nH]cc(CC(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000737115363 598488526 /nfs/dbraw/zinc/48/85/26/598488526.db2.gz PCOXTFDJONKWQX-LBPRGKRZSA-N -1 3 377.404 3.204 20 0 GGADHM C[C@H](OC(=O)COCc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156372 598490671 /nfs/dbraw/zinc/49/06/71/598490671.db2.gz VFBCQEYJCZJQHW-LBPRGKRZSA-N -1 3 395.444 3.297 20 0 GGADHM C[C@H](OC(=O)COCc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156372 598490673 /nfs/dbraw/zinc/49/06/73/598490673.db2.gz VFBCQEYJCZJQHW-LBPRGKRZSA-N -1 3 395.444 3.297 20 0 GGADHM C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158022 598491811 /nfs/dbraw/zinc/49/18/11/598491811.db2.gz NZWPTUZDVXSUOG-KUHUBIRLSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158022 598491812 /nfs/dbraw/zinc/49/18/12/598491812.db2.gz NZWPTUZDVXSUOG-KUHUBIRLSA-N -1 3 394.431 3.343 20 0 GGADHM COc1ccc(OCCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737109942 598492356 /nfs/dbraw/zinc/49/23/56/598492356.db2.gz PXJFFAJYSFDGEI-AWEZNQCLSA-N -1 3 382.420 3.339 20 0 GGADHM COc1ccc(OCCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737109942 598492357 /nfs/dbraw/zinc/49/23/57/598492357.db2.gz PXJFFAJYSFDGEI-AWEZNQCLSA-N -1 3 382.420 3.339 20 0 GGADHM O=C(c1csc(-c2ccoc2)n1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738282980 598493820 /nfs/dbraw/zinc/49/38/20/598493820.db2.gz GSSHVCSIZHVFKN-UHFFFAOYSA-N -1 3 392.444 3.388 20 0 GGADHM O=C(c1csc(-c2ccoc2)n1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738282980 598493821 /nfs/dbraw/zinc/49/38/21/598493821.db2.gz GSSHVCSIZHVFKN-UHFFFAOYSA-N -1 3 392.444 3.388 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000737894016 598494320 /nfs/dbraw/zinc/49/43/20/598494320.db2.gz BJVWYMIUYTVGSK-HXUWFJFHSA-N -1 3 388.475 3.347 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737196663 598495030 /nfs/dbraw/zinc/49/50/30/598495030.db2.gz WTTSKJNEHGEMMY-SAZUREKKSA-N -1 3 381.436 3.347 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737196663 598495032 /nfs/dbraw/zinc/49/50/32/598495032.db2.gz WTTSKJNEHGEMMY-SAZUREKKSA-N -1 3 381.436 3.347 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCOC3)c2-c2nnn[n-]2)C1 ZINC000735597380 598498186 /nfs/dbraw/zinc/49/81/86/598498186.db2.gz NZWSDCMKTPNSOS-RYUDHWBXSA-N -1 3 389.525 3.444 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCOC3)c2-c2nn[n-]n2)C1 ZINC000735597380 598498189 /nfs/dbraw/zinc/49/81/89/598498189.db2.gz NZWSDCMKTPNSOS-RYUDHWBXSA-N -1 3 389.525 3.444 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000737026047 598498810 /nfs/dbraw/zinc/49/88/10/598498810.db2.gz VCFPIECVKBJKAW-UHFFFAOYSA-N -1 3 383.795 3.158 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000737026047 598498812 /nfs/dbraw/zinc/49/88/12/598498812.db2.gz VCFPIECVKBJKAW-UHFFFAOYSA-N -1 3 383.795 3.158 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1c(F)cccc1N1CCCC1 ZINC000737796499 598504632 /nfs/dbraw/zinc/50/46/32/598504632.db2.gz BQTXNGWGDBDHHC-ZHACJKMWSA-N -1 3 378.411 3.258 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1c(F)cccc1N1CCCC1 ZINC000737796499 598504634 /nfs/dbraw/zinc/50/46/34/598504634.db2.gz BQTXNGWGDBDHHC-ZHACJKMWSA-N -1 3 378.411 3.258 20 0 GGADHM Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737454470 598505813 /nfs/dbraw/zinc/50/58/13/598505813.db2.gz ALIUNVXTVQHAFC-XJKSGUPXSA-N -1 3 398.492 3.153 20 0 GGADHM Clc1ccc(NC[C@H](c2cccs2)N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737574211 598506809 /nfs/dbraw/zinc/50/68/09/598506809.db2.gz LZYVLNMHMAFMBV-OAHLLOKOSA-N -1 3 390.900 3.067 20 0 GGADHM Clc1ccc(NC[C@H](c2cccs2)N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000737574211 598506810 /nfs/dbraw/zinc/50/68/10/598506810.db2.gz LZYVLNMHMAFMBV-OAHLLOKOSA-N -1 3 390.900 3.067 20 0 GGADHM Cc1cccc(C2(NS(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737390141 598509298 /nfs/dbraw/zinc/50/92/98/598509298.db2.gz QCDVHYADJXVWMV-UHFFFAOYSA-N -1 3 397.504 3.064 20 0 GGADHM Cc1cccc(C2(NS(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737390141 598509299 /nfs/dbraw/zinc/50/92/99/598509299.db2.gz QCDVHYADJXVWMV-UHFFFAOYSA-N -1 3 397.504 3.064 20 0 GGADHM Cc1ccc(SCCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292901 607359443 /nfs/dbraw/zinc/35/94/43/607359443.db2.gz RMDUNQNVCMJYSK-UHFFFAOYSA-N -1 3 382.445 3.083 20 0 GGADHM Cc1ccc(SCCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292901 607359445 /nfs/dbraw/zinc/35/94/45/607359445.db2.gz RMDUNQNVCMJYSK-UHFFFAOYSA-N -1 3 382.445 3.083 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1csc(-c2ccoc2)n1 ZINC000737949223 598513071 /nfs/dbraw/zinc/51/30/71/598513071.db2.gz XZAJMBIENOUBIC-UHFFFAOYSA-N -1 3 399.457 3.419 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1csc(-c2ccoc2)n1 ZINC000737949223 598513072 /nfs/dbraw/zinc/51/30/72/598513072.db2.gz XZAJMBIENOUBIC-UHFFFAOYSA-N -1 3 399.457 3.419 20 0 GGADHM CCc1c(C)sc(NC(=O)Cc2cn(C)c3ccccc23)c1-c1nnn[n-]1 ZINC000736675821 598513899 /nfs/dbraw/zinc/51/38/99/598513899.db2.gz PBAFZMDIMRCCMN-UHFFFAOYSA-N -1 3 380.477 3.472 20 0 GGADHM CCc1c(C)sc(NC(=O)Cc2cn(C)c3ccccc23)c1-c1nn[n-]n1 ZINC000736675821 598513901 /nfs/dbraw/zinc/51/39/01/598513901.db2.gz PBAFZMDIMRCCMN-UHFFFAOYSA-N -1 3 380.477 3.472 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCc1ccccc1F ZINC000735735931 598515776 /nfs/dbraw/zinc/51/57/76/598515776.db2.gz QPCNJYZSTRTEPJ-GOSISDBHSA-N -1 3 384.411 3.195 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCc1ccccc1F ZINC000735735931 598515777 /nfs/dbraw/zinc/51/57/77/598515777.db2.gz QPCNJYZSTRTEPJ-GOSISDBHSA-N -1 3 384.411 3.195 20 0 GGADHM CCc1c(C)sc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1-c1nnn[n-]1 ZINC000736679675 598516126 /nfs/dbraw/zinc/51/61/26/598516126.db2.gz ZODHHVGYKVFWHF-UHFFFAOYSA-N -1 3 385.449 3.472 20 0 GGADHM CCc1c(C)sc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1-c1nn[n-]n1 ZINC000736679675 598516127 /nfs/dbraw/zinc/51/61/27/598516127.db2.gz ZODHHVGYKVFWHF-UHFFFAOYSA-N -1 3 385.449 3.472 20 0 GGADHM CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1OC ZINC000736635503 598517896 /nfs/dbraw/zinc/51/78/96/598517896.db2.gz DBWRUJKEDDJRCM-UHFFFAOYSA-N -1 3 387.465 3.459 20 0 GGADHM CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1OC ZINC000736635503 598517897 /nfs/dbraw/zinc/51/78/97/598517897.db2.gz DBWRUJKEDDJRCM-UHFFFAOYSA-N -1 3 387.465 3.459 20 0 GGADHM CC[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736401287 598527252 /nfs/dbraw/zinc/52/72/52/598527252.db2.gz HTIWWHHHEGVIHT-AWEZNQCLSA-N -1 3 383.481 3.320 20 0 GGADHM CC[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736401287 598527253 /nfs/dbraw/zinc/52/72/53/598527253.db2.gz HTIWWHHHEGVIHT-AWEZNQCLSA-N -1 3 383.481 3.320 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736426438 598528333 /nfs/dbraw/zinc/52/83/33/598528333.db2.gz PEKDMAABCPWWBX-IBGZPJMESA-N -1 3 378.480 3.420 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736426438 598528335 /nfs/dbraw/zinc/52/83/35/598528335.db2.gz PEKDMAABCPWWBX-IBGZPJMESA-N -1 3 378.480 3.420 20 0 GGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737474924 598533300 /nfs/dbraw/zinc/53/33/00/598533300.db2.gz TYJZRNBCDKEDBH-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM Cc1nc(CC(C)C)sc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737474924 598533302 /nfs/dbraw/zinc/53/33/02/598533302.db2.gz TYJZRNBCDKEDBH-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000737295411 598534026 /nfs/dbraw/zinc/53/40/26/598534026.db2.gz VXPIZGGNRYDXJS-UHFFFAOYSA-N -1 3 393.838 3.481 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000737295411 598534029 /nfs/dbraw/zinc/53/40/29/598534029.db2.gz VXPIZGGNRYDXJS-UHFFFAOYSA-N -1 3 393.838 3.481 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000737032941 598534402 /nfs/dbraw/zinc/53/44/02/598534402.db2.gz RMJSWPFVUIXXGN-IAQYHMDHSA-N -1 3 380.408 3.198 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000737032941 598534404 /nfs/dbraw/zinc/53/44/04/598534404.db2.gz RMJSWPFVUIXXGN-IAQYHMDHSA-N -1 3 380.408 3.198 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737334834 598535315 /nfs/dbraw/zinc/53/53/15/598535315.db2.gz MUQYBMPEFQGLSU-INIZCTEOSA-N -1 3 395.532 3.464 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737334834 598535317 /nfs/dbraw/zinc/53/53/17/598535317.db2.gz MUQYBMPEFQGLSU-INIZCTEOSA-N -1 3 395.532 3.464 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1Cc2ccccc2O1 ZINC000738207953 598536669 /nfs/dbraw/zinc/53/66/69/598536669.db2.gz JONTYXQJONZOSL-CQSZACIVSA-N -1 3 381.461 3.139 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1Cc2ccccc2O1 ZINC000738207953 598536671 /nfs/dbraw/zinc/53/66/71/598536671.db2.gz JONTYXQJONZOSL-CQSZACIVSA-N -1 3 381.461 3.139 20 0 GGADHM CC(C)C[C@@H](C)CC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735762109 598536950 /nfs/dbraw/zinc/53/69/50/598536950.db2.gz VDOIBWQRVQPMKF-CQSZACIVSA-N -1 3 383.452 3.409 20 0 GGADHM CC(C)C[C@@H](C)CC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735762109 598536952 /nfs/dbraw/zinc/53/69/52/598536952.db2.gz VDOIBWQRVQPMKF-CQSZACIVSA-N -1 3 383.452 3.409 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736267081 598538581 /nfs/dbraw/zinc/53/85/81/598538581.db2.gz AOIKFAWJGHUVPE-DYVFJYSZSA-N -1 3 381.436 3.347 20 0 GGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736267083 598538745 /nfs/dbraw/zinc/53/87/45/598538745.db2.gz AOIKFAWJGHUVPE-GUYCJALGSA-N -1 3 381.436 3.347 20 0 GGADHM CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736963708 598539792 /nfs/dbraw/zinc/53/97/92/598539792.db2.gz WBHXKMIWYIYNKY-HZPDHXFCSA-N -1 3 398.419 3.153 20 0 GGADHM CC(C)n1cc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cn1 ZINC000735961219 598540086 /nfs/dbraw/zinc/54/00/86/598540086.db2.gz OAJLJEMLLUJUKT-UHFFFAOYSA-N -1 3 393.407 3.068 20 0 GGADHM CC[C@@H](OC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736384180 598540135 /nfs/dbraw/zinc/54/01/35/598540135.db2.gz VWWWXSDEWCTZCM-GOSISDBHSA-N -1 3 381.436 3.118 20 0 GGADHM CC[C@@H](OC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736384180 598540137 /nfs/dbraw/zinc/54/01/37/598540137.db2.gz VWWWXSDEWCTZCM-GOSISDBHSA-N -1 3 381.436 3.118 20 0 GGADHM O=C(NCCc1ccsc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738089547 598541097 /nfs/dbraw/zinc/54/10/97/598541097.db2.gz WVWUHZHAXQWUEX-UHFFFAOYSA-N -1 3 395.444 3.073 20 0 GGADHM Cc1csc(N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000737452002 598541236 /nfs/dbraw/zinc/54/12/36/598541236.db2.gz IYTDRQSYFYGLOL-UHFFFAOYSA-N -1 3 396.432 3.080 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000737340761 598541273 /nfs/dbraw/zinc/54/12/73/598541273.db2.gz CNRYDOYGUDAMAK-UHFFFAOYSA-N -1 3 395.444 3.339 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1CCCOC1 ZINC000737279765 598541290 /nfs/dbraw/zinc/54/12/90/598541290.db2.gz MFYRYSNKYPNHKD-QGZVFWFLSA-N -1 3 393.447 3.119 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1CCCOC1 ZINC000737279765 598541291 /nfs/dbraw/zinc/54/12/91/598541291.db2.gz MFYRYSNKYPNHKD-QGZVFWFLSA-N -1 3 393.447 3.119 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1cncs1 ZINC000737279289 598542204 /nfs/dbraw/zinc/54/22/04/598542204.db2.gz ITVBBXZKYXDIAR-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1cncs1 ZINC000737279289 598542206 /nfs/dbraw/zinc/54/22/06/598542206.db2.gz ITVBBXZKYXDIAR-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM COCCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736977763 598542466 /nfs/dbraw/zinc/54/24/66/598542466.db2.gz CSWQNWBTFKRTAC-UHFFFAOYSA-N -1 3 381.436 3.201 20 0 GGADHM COCCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736977763 598542467 /nfs/dbraw/zinc/54/24/67/598542467.db2.gz CSWQNWBTFKRTAC-UHFFFAOYSA-N -1 3 381.436 3.201 20 0 GGADHM O=C(CC[C@H]1CCCO1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737826093 598543913 /nfs/dbraw/zinc/54/39/13/598543913.db2.gz PFTZMQRPXCHTSR-GOSISDBHSA-N -1 3 393.447 3.343 20 0 GGADHM O=C(CC[C@H]1CCCO1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737826093 598543915 /nfs/dbraw/zinc/54/39/15/598543915.db2.gz PFTZMQRPXCHTSR-GOSISDBHSA-N -1 3 393.447 3.343 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(F)(F)c1ccc(F)cc1 ZINC000738138570 598545667 /nfs/dbraw/zinc/54/56/67/598545667.db2.gz FYVHUXJOYIRSMY-UHFFFAOYSA-N -1 3 399.279 3.338 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(F)(F)c1ccc(F)cc1 ZINC000738138570 598545669 /nfs/dbraw/zinc/54/56/69/598545669.db2.gz FYVHUXJOYIRSMY-UHFFFAOYSA-N -1 3 399.279 3.338 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc(-c2ccccc2)on1 ZINC000738147542 598546313 /nfs/dbraw/zinc/54/63/13/598546313.db2.gz ZEOBMJHQTPVZPO-UHFFFAOYSA-N -1 3 398.329 3.375 20 0 GGADHM Cc1cccc(C)c1OCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737389403 598547032 /nfs/dbraw/zinc/54/70/32/598547032.db2.gz IOKYDNICGUZGFW-UHFFFAOYSA-N -1 3 389.362 3.102 20 0 GGADHM Cc1cccc(C)c1OCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737389403 598547034 /nfs/dbraw/zinc/54/70/34/598547034.db2.gz IOKYDNICGUZGFW-UHFFFAOYSA-N -1 3 389.362 3.102 20 0 GGADHM Fc1ccc(-n2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)c3c2CCC3)cc1 ZINC000737648824 598548061 /nfs/dbraw/zinc/54/80/61/598548061.db2.gz JHKBXHWFMBWHIO-UHFFFAOYSA-N -1 3 394.385 3.398 20 0 GGADHM Fc1ccc(-n2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)c3c2CCC3)cc1 ZINC000737648824 598548062 /nfs/dbraw/zinc/54/80/62/598548062.db2.gz JHKBXHWFMBWHIO-UHFFFAOYSA-N -1 3 394.385 3.398 20 0 GGADHM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736600912 598549678 /nfs/dbraw/zinc/54/96/78/598549678.db2.gz PNOMTQRIBGLPTG-UHFFFAOYSA-N -1 3 386.799 3.341 20 0 GGADHM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736600912 598549680 /nfs/dbraw/zinc/54/96/80/598549680.db2.gz PNOMTQRIBGLPTG-UHFFFAOYSA-N -1 3 386.799 3.341 20 0 GGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735963924 598549822 /nfs/dbraw/zinc/54/98/22/598549822.db2.gz RENFQFRABPXEFD-AWEZNQCLSA-N -1 3 395.438 3.212 20 0 GGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735963924 598549824 /nfs/dbraw/zinc/54/98/24/598549824.db2.gz RENFQFRABPXEFD-AWEZNQCLSA-N -1 3 395.438 3.212 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000738143861 598549947 /nfs/dbraw/zinc/54/99/47/598549947.db2.gz FQXBLSAIQPFXBU-JTQLQIEISA-N -1 3 390.230 3.363 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000738143861 598549949 /nfs/dbraw/zinc/54/99/49/598549949.db2.gz FQXBLSAIQPFXBU-JTQLQIEISA-N -1 3 390.230 3.363 20 0 GGADHM CO[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000736962411 598551328 /nfs/dbraw/zinc/55/13/28/598551328.db2.gz OUWWNASCHCUULB-CQSZACIVSA-N -1 3 395.488 3.269 20 0 GGADHM CO[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000736962411 598551329 /nfs/dbraw/zinc/55/13/29/598551329.db2.gz OUWWNASCHCUULB-CQSZACIVSA-N -1 3 395.488 3.269 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825076641 607360404 /nfs/dbraw/zinc/36/04/04/607360404.db2.gz XBJIIZSODASOEE-CQSZACIVSA-N -1 3 394.431 3.185 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825076641 607360406 /nfs/dbraw/zinc/36/04/06/607360406.db2.gz XBJIIZSODASOEE-CQSZACIVSA-N -1 3 394.431 3.185 20 0 GGADHM O=C(CNc1cc(F)ccc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737894780 598553907 /nfs/dbraw/zinc/55/39/07/598553907.db2.gz JXJNBOBEQJTODZ-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM O=C(CNc1cc(F)ccc1Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737894780 598553909 /nfs/dbraw/zinc/55/39/09/598553909.db2.gz JXJNBOBEQJTODZ-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM CC(=O)CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735457739 598557031 /nfs/dbraw/zinc/55/70/31/598557031.db2.gz DHAMYCIGKFSMEK-UHFFFAOYSA-N -1 3 399.838 3.407 20 0 GGADHM CC(=O)CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000735457739 598557034 /nfs/dbraw/zinc/55/70/34/598557034.db2.gz DHAMYCIGKFSMEK-UHFFFAOYSA-N -1 3 399.838 3.407 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000736329788 598559568 /nfs/dbraw/zinc/55/95/68/598559568.db2.gz VGYAOLYGYJLDDZ-LLVKDONJSA-N -1 3 376.413 3.287 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000736329788 598559569 /nfs/dbraw/zinc/55/95/69/598559569.db2.gz VGYAOLYGYJLDDZ-LLVKDONJSA-N -1 3 376.413 3.287 20 0 GGADHM C[C@@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736016861 598559652 /nfs/dbraw/zinc/55/96/52/598559652.db2.gz FAUTWQHBTAIKNN-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM C[C@@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736016861 598559654 /nfs/dbraw/zinc/55/96/54/598559654.db2.gz FAUTWQHBTAIKNN-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM CN(Cc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736827708 598560480 /nfs/dbraw/zinc/56/04/80/598560480.db2.gz AIPHKOWUXYSBHH-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM CN(Cc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736827708 598560481 /nfs/dbraw/zinc/56/04/81/598560481.db2.gz AIPHKOWUXYSBHH-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM Cc1cccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737394806 598562569 /nfs/dbraw/zinc/56/25/69/598562569.db2.gz XSXRUWUSQKOTLN-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM Cc1cccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737394806 598562571 /nfs/dbraw/zinc/56/25/71/598562571.db2.gz XSXRUWUSQKOTLN-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CCCc2occc21 ZINC000738146909 598562945 /nfs/dbraw/zinc/56/29/45/598562945.db2.gz TYBGLJYOERJUCJ-LLVKDONJSA-N -1 3 390.350 3.260 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CCCc2occc21 ZINC000738146909 598562946 /nfs/dbraw/zinc/56/29/46/598562946.db2.gz TYBGLJYOERJUCJ-LLVKDONJSA-N -1 3 390.350 3.260 20 0 GGADHM CCCCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736440991 598564861 /nfs/dbraw/zinc/56/48/61/598564861.db2.gz KVIYUOOWJFIPHA-GOSISDBHSA-N -1 3 392.463 3.243 20 0 GGADHM CCCCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736440991 598564862 /nfs/dbraw/zinc/56/48/62/598564862.db2.gz KVIYUOOWJFIPHA-GOSISDBHSA-N -1 3 392.463 3.243 20 0 GGADHM CCN(CCOC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736536216 598565367 /nfs/dbraw/zinc/56/53/67/598565367.db2.gz FIOJQIAEFFEKBX-UHFFFAOYSA-N -1 3 382.424 3.159 20 0 GGADHM CCN(CCOC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736536216 598565368 /nfs/dbraw/zinc/56/53/68/598565368.db2.gz FIOJQIAEFFEKBX-UHFFFAOYSA-N -1 3 382.424 3.159 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@H]1CCCC[C@H]1O ZINC000738174310 598566451 /nfs/dbraw/zinc/56/64/51/598566451.db2.gz WVWYQRGXFYDOJH-ZWKOTPCHSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@H]1CCCC[C@H]1O ZINC000738174310 598566452 /nfs/dbraw/zinc/56/64/52/598566452.db2.gz WVWYQRGXFYDOJH-ZWKOTPCHSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@@H]1CCC[C@H](O)C1 ZINC000738173425 598566457 /nfs/dbraw/zinc/56/64/57/598566457.db2.gz QIHVIHGPRSRAOX-CVEARBPZSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@@H]1CCC[C@H](O)C1 ZINC000738173425 598566458 /nfs/dbraw/zinc/56/64/58/598566458.db2.gz QIHVIHGPRSRAOX-CVEARBPZSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(OCc1ccc(Cl)cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738230638 598571078 /nfs/dbraw/zinc/57/10/78/598571078.db2.gz HPAIKMOQEHWQMV-KRWDZBQOSA-N -1 3 383.839 3.232 20 0 GGADHM CN(C)C(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000736754012 598572895 /nfs/dbraw/zinc/57/28/95/598572895.db2.gz RYOIQHJSWGTLAF-UHFFFAOYSA-N -1 3 390.369 3.199 20 0 GGADHM CN(C)C(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000736754012 598572896 /nfs/dbraw/zinc/57/28/96/598572896.db2.gz RYOIQHJSWGTLAF-UHFFFAOYSA-N -1 3 390.369 3.199 20 0 GGADHM COc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1OC1CCCC1 ZINC000737041144 598573260 /nfs/dbraw/zinc/57/32/60/598573260.db2.gz MZOKFOYNZMSCTR-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM COc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1OC1CCCC1 ZINC000737041144 598573261 /nfs/dbraw/zinc/57/32/61/598573261.db2.gz MZOKFOYNZMSCTR-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000737156467 598573371 /nfs/dbraw/zinc/57/33/71/598573371.db2.gz WLHHZQJKLZRCGG-UHFFFAOYSA-N -1 3 391.387 3.300 20 0 GGADHM COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000737156467 598573372 /nfs/dbraw/zinc/57/33/72/598573372.db2.gz WLHHZQJKLZRCGG-UHFFFAOYSA-N -1 3 391.387 3.300 20 0 GGADHM O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccccc1-c1nnn[n-]1 ZINC000737977731 598574078 /nfs/dbraw/zinc/57/40/78/598574078.db2.gz IXSIPWUGEMOKEP-UHFFFAOYSA-N -1 3 376.445 3.095 20 0 GGADHM O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccccc1-c1nn[n-]n1 ZINC000737977731 598574079 /nfs/dbraw/zinc/57/40/79/598574079.db2.gz IXSIPWUGEMOKEP-UHFFFAOYSA-N -1 3 376.445 3.095 20 0 GGADHM O=C(CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1CCCCC1 ZINC000737849000 598576645 /nfs/dbraw/zinc/57/66/45/598576645.db2.gz VUPCGUVYNCEFJS-UHFFFAOYSA-N -1 3 382.390 3.136 20 0 GGADHM O=C(CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1CCCCC1 ZINC000737849000 598576647 /nfs/dbraw/zinc/57/66/47/598576647.db2.gz VUPCGUVYNCEFJS-UHFFFAOYSA-N -1 3 382.390 3.136 20 0 GGADHM CC(C)c1nnc2n1C[C@H](Nc1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CC2 ZINC000735952349 598578492 /nfs/dbraw/zinc/57/84/92/598578492.db2.gz DEBZPXWVCKUPSK-LLVKDONJSA-N -1 3 392.389 3.027 20 0 GGADHM CC(C)c1nnc2n1C[C@H](Nc1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CC2 ZINC000735952349 598578493 /nfs/dbraw/zinc/57/84/93/598578493.db2.gz DEBZPXWVCKUPSK-LLVKDONJSA-N -1 3 392.389 3.027 20 0 GGADHM Cc1csc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CCO2)n1 ZINC000737454506 598579354 /nfs/dbraw/zinc/57/93/54/598579354.db2.gz BNQUOXGDLATPAT-ZDUSSCGKSA-N -1 3 396.398 3.228 20 0 GGADHM Cc1csc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CCO2)n1 ZINC000737454506 598579355 /nfs/dbraw/zinc/57/93/55/598579355.db2.gz BNQUOXGDLATPAT-ZDUSSCGKSA-N -1 3 396.398 3.228 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000735904593 598581388 /nfs/dbraw/zinc/58/13/88/598581388.db2.gz RNRKICGQCJIUSQ-OAHLLOKOSA-N -1 3 379.420 3.159 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000735904593 598581389 /nfs/dbraw/zinc/58/13/89/598581389.db2.gz RNRKICGQCJIUSQ-OAHLLOKOSA-N -1 3 379.420 3.159 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000736479546 598581868 /nfs/dbraw/zinc/58/18/68/598581868.db2.gz LOJMMXAMVCACGE-GOSISDBHSA-N -1 3 377.448 3.172 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000736479546 598581869 /nfs/dbraw/zinc/58/18/69/598581869.db2.gz LOJMMXAMVCACGE-GOSISDBHSA-N -1 3 377.448 3.172 20 0 GGADHM O[C@@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000738382465 598582763 /nfs/dbraw/zinc/58/27/63/598582763.db2.gz REDNQNUKZLHYMA-SFHVURJKSA-N -1 3 390.472 3.040 20 0 GGADHM O[C@@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000738382465 598582765 /nfs/dbraw/zinc/58/27/65/598582765.db2.gz REDNQNUKZLHYMA-SFHVURJKSA-N -1 3 390.472 3.040 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000737070846 598583250 /nfs/dbraw/zinc/58/32/50/598583250.db2.gz DVQMHPWUKCWFAJ-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000737070846 598583252 /nfs/dbraw/zinc/58/32/52/598583252.db2.gz DVQMHPWUKCWFAJ-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000736637517 598583579 /nfs/dbraw/zinc/58/35/79/598583579.db2.gz QZHHOGGPMPAPRP-LBPRGKRZSA-N -1 3 382.424 3.196 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000736637517 598583580 /nfs/dbraw/zinc/58/35/80/598583580.db2.gz QZHHOGGPMPAPRP-LBPRGKRZSA-N -1 3 382.424 3.196 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ncc(-c2cccs2)o1 ZINC000737946890 598584180 /nfs/dbraw/zinc/58/41/80/598584180.db2.gz IKSSXEJZRAHWOS-UHFFFAOYSA-N -1 3 399.457 3.419 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ncc(-c2cccs2)o1 ZINC000737946890 598584181 /nfs/dbraw/zinc/58/41/81/598584181.db2.gz IKSSXEJZRAHWOS-UHFFFAOYSA-N -1 3 399.457 3.419 20 0 GGADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736381081 598584407 /nfs/dbraw/zinc/58/44/07/598584407.db2.gz HMFLUVNWDMDZED-CXAGYDPISA-N -1 3 382.420 3.337 20 0 GGADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736381081 598584409 /nfs/dbraw/zinc/58/44/09/598584409.db2.gz HMFLUVNWDMDZED-CXAGYDPISA-N -1 3 382.420 3.337 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000738165944 598584498 /nfs/dbraw/zinc/58/44/98/598584498.db2.gz HXKCWLZBNDYQLH-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000738165944 598584500 /nfs/dbraw/zinc/58/45/00/598584500.db2.gz HXKCWLZBNDYQLH-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000737278459 598585116 /nfs/dbraw/zinc/58/51/16/598585116.db2.gz IZSCRPDTHNSGDT-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000737278459 598585118 /nfs/dbraw/zinc/58/51/18/598585118.db2.gz IZSCRPDTHNSGDT-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1c[nH]c2c1cccc2CC ZINC000736629032 598585976 /nfs/dbraw/zinc/58/59/76/598585976.db2.gz SSWYVSHIUVVZJL-UHFFFAOYSA-N -1 3 391.431 3.457 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1c[nH]c2c1cccc2CC ZINC000736629032 598585977 /nfs/dbraw/zinc/58/59/77/598585977.db2.gz SSWYVSHIUVVZJL-UHFFFAOYSA-N -1 3 391.431 3.457 20 0 GGADHM CCN(C(=O)c1cc2c([nH]c1=O)CCCC2)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506404 598586232 /nfs/dbraw/zinc/58/62/32/598586232.db2.gz XIXQXWYKEGCXMJ-CYBMUJFWSA-N -1 3 392.463 3.069 20 0 GGADHM CCN(C(=O)c1cc2c([nH]c1=O)CCCC2)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506404 598586233 /nfs/dbraw/zinc/58/62/33/598586233.db2.gz XIXQXWYKEGCXMJ-CYBMUJFWSA-N -1 3 392.463 3.069 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000737924705 598586819 /nfs/dbraw/zinc/58/68/19/598586819.db2.gz IMMDIDISIDJFIA-UHFFFAOYSA-N -1 3 394.822 3.328 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000737924705 598586821 /nfs/dbraw/zinc/58/68/21/598586821.db2.gz IMMDIDISIDJFIA-UHFFFAOYSA-N -1 3 394.822 3.328 20 0 GGADHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737959935 598586871 /nfs/dbraw/zinc/58/68/71/598586871.db2.gz SHRBTKHKSKPZGK-UHFFFAOYSA-N -1 3 381.289 3.086 20 0 GGADHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737959935 598586873 /nfs/dbraw/zinc/58/68/73/598586873.db2.gz SHRBTKHKSKPZGK-UHFFFAOYSA-N -1 3 381.289 3.086 20 0 GGADHM CC(C)OCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735895733 598592352 /nfs/dbraw/zinc/59/23/52/598592352.db2.gz GAFHSXRIFZICOM-UHFFFAOYSA-N -1 3 399.426 3.338 20 0 GGADHM CC(C)OCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735895733 598592353 /nfs/dbraw/zinc/59/23/53/598592353.db2.gz GAFHSXRIFZICOM-UHFFFAOYSA-N -1 3 399.426 3.338 20 0 GGADHM CSCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737175116 598593623 /nfs/dbraw/zinc/59/36/23/598593623.db2.gz BDAIJXQGEUHPCH-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM CSCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737175116 598593625 /nfs/dbraw/zinc/59/36/25/598593625.db2.gz BDAIJXQGEUHPCH-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000737061679 598594036 /nfs/dbraw/zinc/59/40/36/598594036.db2.gz CSZGEELYXXJHOT-UHFFFAOYSA-N -1 3 377.404 3.211 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000737061679 598594037 /nfs/dbraw/zinc/59/40/37/598594037.db2.gz CSZGEELYXXJHOT-UHFFFAOYSA-N -1 3 377.404 3.211 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)c1ccccn1 ZINC000738171083 598594216 /nfs/dbraw/zinc/59/42/16/598594216.db2.gz AHBZNQJCTXMKDL-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)c1ccccn1 ZINC000738171083 598594218 /nfs/dbraw/zinc/59/42/18/598594218.db2.gz AHBZNQJCTXMKDL-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000442955134 598594491 /nfs/dbraw/zinc/59/44/91/598594491.db2.gz JFWVERDIJCSEQA-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000442955134 598594493 /nfs/dbraw/zinc/59/44/93/598594493.db2.gz JFWVERDIJCSEQA-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM CCOc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736635383 598599008 /nfs/dbraw/zinc/59/90/08/598599008.db2.gz BDUAUZMHYSZRNG-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM CCOc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736635383 598599010 /nfs/dbraw/zinc/59/90/10/598599010.db2.gz BDUAUZMHYSZRNG-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM c1ccc(Cc2nc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)no2)cc1 ZINC000738432485 598600018 /nfs/dbraw/zinc/60/00/18/598600018.db2.gz HPTHXNXRCCGLND-UHFFFAOYSA-N -1 3 387.447 3.005 20 0 GGADHM c1ccc(Cc2nc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)no2)cc1 ZINC000738432485 598600020 /nfs/dbraw/zinc/60/00/20/598600020.db2.gz HPTHXNXRCCGLND-UHFFFAOYSA-N -1 3 387.447 3.005 20 0 GGADHM CC[C@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736356766 598601808 /nfs/dbraw/zinc/60/18/08/598601808.db2.gz HDJGOSBOJPIULY-INIZCTEOSA-N -1 3 388.834 3.339 20 0 GGADHM CC[C@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736356766 598601810 /nfs/dbraw/zinc/60/18/10/598601810.db2.gz HDJGOSBOJPIULY-INIZCTEOSA-N -1 3 388.834 3.339 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737924467 598609659 /nfs/dbraw/zinc/60/96/59/598609659.db2.gz HCFDLGGULUXJOM-PXNSSMCTSA-N -1 3 391.475 3.163 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737924467 598609660 /nfs/dbraw/zinc/60/96/60/598609660.db2.gz HCFDLGGULUXJOM-PXNSSMCTSA-N -1 3 391.475 3.163 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737960372 598609852 /nfs/dbraw/zinc/60/98/52/598609852.db2.gz FGIQSZDSSKPHEY-VQTJNVASSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737960372 598609854 /nfs/dbraw/zinc/60/98/54/598609854.db2.gz FGIQSZDSSKPHEY-VQTJNVASSA-N -1 3 375.476 3.327 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000736628192 598610825 /nfs/dbraw/zinc/61/08/25/598610825.db2.gz SYHJVDKHHLMSLF-UHFFFAOYSA-N -1 3 396.382 3.342 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000736628192 598610826 /nfs/dbraw/zinc/61/08/26/598610826.db2.gz SYHJVDKHHLMSLF-UHFFFAOYSA-N -1 3 396.382 3.342 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000738115434 598617629 /nfs/dbraw/zinc/61/76/29/598617629.db2.gz AIDGDFDHFSVMHH-QUCCMNQESA-N -1 3 390.491 3.467 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000738115434 598617630 /nfs/dbraw/zinc/61/76/30/598617630.db2.gz AIDGDFDHFSVMHH-QUCCMNQESA-N -1 3 390.491 3.467 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820390038 607360900 /nfs/dbraw/zinc/36/09/00/607360900.db2.gz DIYSSWFAIRTMJI-PSLIRLAXSA-N -1 3 392.246 3.025 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820390038 607360901 /nfs/dbraw/zinc/36/09/01/607360901.db2.gz DIYSSWFAIRTMJI-PSLIRLAXSA-N -1 3 392.246 3.025 20 0 GGADHM O=C(OC/C=C\c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738220364 598620673 /nfs/dbraw/zinc/62/06/73/598620673.db2.gz GPCQWFBVUOLYID-ZXYDQQDNSA-N -1 3 375.432 3.092 20 0 GGADHM COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736982485 598624914 /nfs/dbraw/zinc/62/49/14/598624914.db2.gz XLQPBJQOQVEMBU-UHFFFAOYSA-N -1 3 398.442 3.467 20 0 GGADHM COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736982485 598624916 /nfs/dbraw/zinc/62/49/16/598624916.db2.gz XLQPBJQOQVEMBU-UHFFFAOYSA-N -1 3 398.442 3.467 20 0 GGADHM O=C(NCCCn1ccc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074251 598625066 /nfs/dbraw/zinc/62/50/66/598625066.db2.gz AMPZMOPJJALAST-UHFFFAOYSA-N -1 3 379.399 3.172 20 0 GGADHM O=C(NCCCn1ccc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074251 598625068 /nfs/dbraw/zinc/62/50/68/598625068.db2.gz AMPZMOPJJALAST-UHFFFAOYSA-N -1 3 379.399 3.172 20 0 GGADHM Cc1ccccc1OCCCN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737431022 598625307 /nfs/dbraw/zinc/62/53/07/598625307.db2.gz DMCAOGGRUNQPDL-UHFFFAOYSA-N -1 3 384.415 3.247 20 0 GGADHM Cc1ccccc1OCCCN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737431022 598625308 /nfs/dbraw/zinc/62/53/08/598625308.db2.gz DMCAOGGRUNQPDL-UHFFFAOYSA-N -1 3 384.415 3.247 20 0 GGADHM CCN(C(=O)c1cc(Cl)nc(NC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506352 598627090 /nfs/dbraw/zinc/62/70/90/598627090.db2.gz VNBCAEGOVPRFLA-LLVKDONJSA-N -1 3 385.859 3.180 20 0 GGADHM CCN(C(=O)c1cc(Cl)nc(NC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506352 598627092 /nfs/dbraw/zinc/62/70/92/598627092.db2.gz VNBCAEGOVPRFLA-LLVKDONJSA-N -1 3 385.859 3.180 20 0 GGADHM COc1ccccc1C(C)(C)CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737138900 598627865 /nfs/dbraw/zinc/62/78/65/598627865.db2.gz RVYMPDVMZCCKKN-UHFFFAOYSA-N -1 3 384.415 3.114 20 0 GGADHM COc1ccccc1C(C)(C)CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737138900 598627866 /nfs/dbraw/zinc/62/78/66/598627866.db2.gz RVYMPDVMZCCKKN-UHFFFAOYSA-N -1 3 384.415 3.114 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1nc(-c2ccccn2)nc2c1CCC2 ZINC000737031439 598630513 /nfs/dbraw/zinc/63/05/13/598630513.db2.gz DDJSIEMZJBMBCO-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2ccccn2)nc2c1CCC2 ZINC000737031439 598630515 /nfs/dbraw/zinc/63/05/15/598630515.db2.gz DDJSIEMZJBMBCO-UHFFFAOYSA-N -1 3 387.403 3.008 20 0 GGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820402737 607361415 /nfs/dbraw/zinc/36/14/15/607361415.db2.gz FRHGJFITGOQGNA-KRTXAFLBSA-N -1 3 398.275 3.087 20 0 GGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820402737 607361416 /nfs/dbraw/zinc/36/14/16/607361416.db2.gz FRHGJFITGOQGNA-KRTXAFLBSA-N -1 3 398.275 3.087 20 0 GGADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1)c1ccncc1 ZINC000738182564 598635281 /nfs/dbraw/zinc/63/52/81/598635281.db2.gz GEOHHBZLOGSXGT-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1)c1ccncc1 ZINC000738182564 598635282 /nfs/dbraw/zinc/63/52/82/598635282.db2.gz GEOHHBZLOGSXGT-UHFFFAOYSA-N -1 3 389.394 3.265 20 0 GGADHM O=C(O[C@H](c1ccncc1)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738215583 598642397 /nfs/dbraw/zinc/64/23/97/598642397.db2.gz RYUIGLDWPJVRRF-SFHVURJKSA-N -1 3 375.363 3.347 20 0 GGADHM O=C(O[C@H](c1ccncc1)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738215583 598642399 /nfs/dbraw/zinc/64/23/99/598642399.db2.gz RYUIGLDWPJVRRF-SFHVURJKSA-N -1 3 375.363 3.347 20 0 GGADHM CCOc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736646837 598643294 /nfs/dbraw/zinc/64/32/94/598643294.db2.gz LFCRBEHNPMWJHG-UHFFFAOYSA-N -1 3 381.436 3.453 20 0 GGADHM CCOc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736646837 598643296 /nfs/dbraw/zinc/64/32/96/598643296.db2.gz LFCRBEHNPMWJHG-UHFFFAOYSA-N -1 3 381.436 3.453 20 0 GGADHM C[C@H]1Cc2ccccc2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736298995 598643382 /nfs/dbraw/zinc/64/33/82/598643382.db2.gz RLEXBGOHMGHWNJ-HNNXBMFYSA-N -1 3 377.448 3.394 20 0 GGADHM C[C@H]1Cc2ccccc2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736298995 598643384 /nfs/dbraw/zinc/64/33/84/598643384.db2.gz RLEXBGOHMGHWNJ-HNNXBMFYSA-N -1 3 377.448 3.394 20 0 GGADHM O=Cc1cc(Br)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738312755 598643943 /nfs/dbraw/zinc/64/39/43/598643943.db2.gz DDWZXKRKWLZEMS-UHFFFAOYSA-N -1 3 377.173 3.160 20 0 GGADHM O=Cc1cc(Br)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000738312755 598643944 /nfs/dbraw/zinc/64/39/44/598643944.db2.gz DDWZXKRKWLZEMS-UHFFFAOYSA-N -1 3 377.173 3.160 20 0 GGADHM COc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc(OC)c1 ZINC000737054843 598644792 /nfs/dbraw/zinc/64/47/92/598644792.db2.gz XTHPGLTWOZEFLE-UHFFFAOYSA-N -1 3 397.435 3.072 20 0 GGADHM COc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc(OC)c1 ZINC000737054843 598644794 /nfs/dbraw/zinc/64/47/94/598644794.db2.gz XTHPGLTWOZEFLE-UHFFFAOYSA-N -1 3 397.435 3.072 20 0 GGADHM C[C@H](c1ccccc1)n1cnnc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736201787 598645383 /nfs/dbraw/zinc/64/53/83/598645383.db2.gz IBPIEMDHJAJHFU-GFCCVEGCSA-N -1 3 381.440 3.499 20 0 GGADHM C[C@H](c1ccccc1)n1cnnc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736201787 598645384 /nfs/dbraw/zinc/64/53/84/598645384.db2.gz IBPIEMDHJAJHFU-GFCCVEGCSA-N -1 3 381.440 3.499 20 0 GGADHM CCOc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736647221 598646793 /nfs/dbraw/zinc/64/67/93/598646793.db2.gz NAZDNZWXEXEGFI-UHFFFAOYSA-N -1 3 382.420 3.420 20 0 GGADHM CCOc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736647221 598646795 /nfs/dbraw/zinc/64/67/95/598646795.db2.gz NAZDNZWXEXEGFI-UHFFFAOYSA-N -1 3 382.420 3.420 20 0 GGADHM O=C(NCc1ccccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738124955 598647117 /nfs/dbraw/zinc/64/71/17/598647117.db2.gz XGCGGPDTHWISBC-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM O=C(NCc1ccccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738124955 598647119 /nfs/dbraw/zinc/64/71/19/598647119.db2.gz XGCGGPDTHWISBC-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM COCCn1c(C)c(C)c2cc(C(=O)Nc3sccc3-c3nnn[n-]3)ccc21 ZINC000737015628 598647442 /nfs/dbraw/zinc/64/74/42/598647442.db2.gz XZJVWJVFEROFEG-UHFFFAOYSA-N -1 3 396.476 3.398 20 0 GGADHM COCCn1c(C)c(C)c2cc(C(=O)Nc3sccc3-c3nn[n-]n3)ccc21 ZINC000737015628 598647444 /nfs/dbraw/zinc/64/74/44/598647444.db2.gz XZJVWJVFEROFEG-UHFFFAOYSA-N -1 3 396.476 3.398 20 0 GGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736363051 598648588 /nfs/dbraw/zinc/64/85/88/598648588.db2.gz MHCROJJILMSZMJ-QGZVFWFLSA-N -1 3 383.477 3.235 20 0 GGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736363051 598648590 /nfs/dbraw/zinc/64/85/90/598648590.db2.gz MHCROJJILMSZMJ-QGZVFWFLSA-N -1 3 383.477 3.235 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCc1cccc(Cl)c1 ZINC000737833475 598648867 /nfs/dbraw/zinc/64/88/67/598648867.db2.gz STQRZSCIJSZOGB-UHFFFAOYSA-N -1 3 399.882 3.428 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCc1cccc(Cl)c1 ZINC000737833475 598648869 /nfs/dbraw/zinc/64/88/69/598648869.db2.gz STQRZSCIJSZOGB-UHFFFAOYSA-N -1 3 399.882 3.428 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000737942411 598649907 /nfs/dbraw/zinc/64/99/07/598649907.db2.gz ZVSPUUZEHFAASV-UHFFFAOYSA-N -1 3 393.394 3.294 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000737942411 598649909 /nfs/dbraw/zinc/64/99/09/598649909.db2.gz ZVSPUUZEHFAASV-UHFFFAOYSA-N -1 3 393.394 3.294 20 0 GGADHM C[C@H](C1CC1)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000735963962 598651083 /nfs/dbraw/zinc/65/10/83/598651083.db2.gz SHJMRJXCXHFWJU-CYBMUJFWSA-N -1 3 390.447 3.457 20 0 GGADHM C[C@H](C1CC1)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000735963962 598651085 /nfs/dbraw/zinc/65/10/85/598651085.db2.gz SHJMRJXCXHFWJU-CYBMUJFWSA-N -1 3 390.447 3.457 20 0 GGADHM CC(C)COc1ncccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735844126 598651332 /nfs/dbraw/zinc/65/13/32/598651332.db2.gz ICJAXYWYDNLMSO-UHFFFAOYSA-N -1 3 392.463 3.101 20 0 GGADHM CC(C)COc1ncccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735844126 598651334 /nfs/dbraw/zinc/65/13/34/598651334.db2.gz ICJAXYWYDNLMSO-UHFFFAOYSA-N -1 3 392.463 3.101 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(NC(=O)OC)c1 ZINC000736479343 598651826 /nfs/dbraw/zinc/65/18/26/598651826.db2.gz FXIQHUGUFQLHBW-UHFFFAOYSA-N -1 3 394.435 3.097 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(NC(=O)OC)c1 ZINC000736479343 598651827 /nfs/dbraw/zinc/65/18/27/598651827.db2.gz FXIQHUGUFQLHBW-UHFFFAOYSA-N -1 3 394.435 3.097 20 0 GGADHM CCN(C(=O)c1cc2c(s1)CCOC2)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506017 598652062 /nfs/dbraw/zinc/65/20/62/598652062.db2.gz OHUSKLAMMKZTPY-GFCCVEGCSA-N -1 3 383.477 3.224 20 0 GGADHM CCN(C(=O)c1cc2c(s1)CCOC2)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506017 598652064 /nfs/dbraw/zinc/65/20/64/598652064.db2.gz OHUSKLAMMKZTPY-GFCCVEGCSA-N -1 3 383.477 3.224 20 0 GGADHM FC(F)(F)COc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC000737626011 598652120 /nfs/dbraw/zinc/65/21/20/598652120.db2.gz FWGBJQRTEPNUKF-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM FC(F)(F)COc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC000737626011 598652122 /nfs/dbraw/zinc/65/21/22/598652122.db2.gz FWGBJQRTEPNUKF-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000736479509 598652115 /nfs/dbraw/zinc/65/21/15/598652115.db2.gz INKWMTIODHCEPT-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000736479509 598652117 /nfs/dbraw/zinc/65/21/17/598652117.db2.gz INKWMTIODHCEPT-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000736504854 598652176 /nfs/dbraw/zinc/65/21/76/598652176.db2.gz HSQQCQHLKXQTCY-UHFFFAOYSA-N -1 3 375.404 3.290 20 0 GGADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000736504854 598652178 /nfs/dbraw/zinc/65/21/78/598652178.db2.gz HSQQCQHLKXQTCY-UHFFFAOYSA-N -1 3 375.404 3.290 20 0 GGADHM COc1ccc(C)cc1CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737077126 598652179 /nfs/dbraw/zinc/65/21/79/598652179.db2.gz NLBDBWYLJFFZFA-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM COc1ccc(C)cc1CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737077126 598652181 /nfs/dbraw/zinc/65/21/81/598652181.db2.gz NLBDBWYLJFFZFA-UHFFFAOYSA-N -1 3 395.463 3.049 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)s1 ZINC000737343411 598653188 /nfs/dbraw/zinc/65/31/88/598653188.db2.gz XEGLTYORPMXHRO-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)s1 ZINC000737343411 598653190 /nfs/dbraw/zinc/65/31/90/598653190.db2.gz XEGLTYORPMXHRO-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM C[C@H](Cc1ccsc1)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736065642 598654723 /nfs/dbraw/zinc/65/47/23/598654723.db2.gz GAYPDGOXEHOAKX-CQSZACIVSA-N -1 3 385.493 3.225 20 0 GGADHM C[C@H](Cc1ccsc1)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736065642 598654724 /nfs/dbraw/zinc/65/47/24/598654724.db2.gz GAYPDGOXEHOAKX-CQSZACIVSA-N -1 3 385.493 3.225 20 0 GGADHM CSc1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189007 598655196 /nfs/dbraw/zinc/65/51/96/598655196.db2.gz BHMJPWTURPMTBD-UHFFFAOYSA-N -1 3 397.504 3.454 20 0 GGADHM CSc1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189007 598655198 /nfs/dbraw/zinc/65/51/98/598655198.db2.gz BHMJPWTURPMTBD-UHFFFAOYSA-N -1 3 397.504 3.454 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(N2CCCC2)c1 ZINC000737948211 598656197 /nfs/dbraw/zinc/65/61/97/598656197.db2.gz QPKVPLXUSABKED-UHFFFAOYSA-N -1 3 380.477 3.198 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(N2CCCC2)c1 ZINC000737948211 598656199 /nfs/dbraw/zinc/65/61/99/598656199.db2.gz QPKVPLXUSABKED-UHFFFAOYSA-N -1 3 380.477 3.198 20 0 GGADHM Cc1cccc2c1CCN2C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737410567 598656720 /nfs/dbraw/zinc/65/67/20/598656720.db2.gz UZGOIMUDPMEWCX-UHFFFAOYSA-N -1 3 377.448 3.314 20 0 GGADHM Cc1cccc2c1CCN2C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737410567 598656722 /nfs/dbraw/zinc/65/67/22/598656722.db2.gz UZGOIMUDPMEWCX-UHFFFAOYSA-N -1 3 377.448 3.314 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000737833408 598656812 /nfs/dbraw/zinc/65/68/12/598656812.db2.gz RBUMPWVFHUTMDZ-RTBURBONSA-N -1 3 395.438 3.227 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000737833408 598656813 /nfs/dbraw/zinc/65/68/13/598656813.db2.gz RBUMPWVFHUTMDZ-RTBURBONSA-N -1 3 395.438 3.227 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737089156 598657169 /nfs/dbraw/zinc/65/71/69/598657169.db2.gz VAMSOFOXGXEJMH-CQSZACIVSA-N -1 3 397.504 3.105 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737089156 598657171 /nfs/dbraw/zinc/65/71/71/598657171.db2.gz VAMSOFOXGXEJMH-CQSZACIVSA-N -1 3 397.504 3.105 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)c2cscn2)cc1 ZINC000737032329 598658845 /nfs/dbraw/zinc/65/88/45/598658845.db2.gz KXLCQKLFUGSMNS-UHFFFAOYSA-N -1 3 394.416 3.376 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)c2cscn2)cc1 ZINC000737032329 598658846 /nfs/dbraw/zinc/65/88/46/598658846.db2.gz KXLCQKLFUGSMNS-UHFFFAOYSA-N -1 3 394.416 3.376 20 0 GGADHM CCCC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736436480 598661292 /nfs/dbraw/zinc/66/12/92/598661292.db2.gz CQADQQBQMWWXNY-IBGZPJMESA-N -1 3 395.463 3.302 20 0 GGADHM CCCC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736436480 598661294 /nfs/dbraw/zinc/66/12/94/598661294.db2.gz CQADQQBQMWWXNY-IBGZPJMESA-N -1 3 395.463 3.302 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737936755 598663132 /nfs/dbraw/zinc/66/31/32/598663132.db2.gz WNWLHEPCSVNPTB-UHFFFAOYSA-N -1 3 395.275 3.440 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737936755 598663134 /nfs/dbraw/zinc/66/31/34/598663134.db2.gz WNWLHEPCSVNPTB-UHFFFAOYSA-N -1 3 395.275 3.440 20 0 GGADHM CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736842667 598663202 /nfs/dbraw/zinc/66/32/02/598663202.db2.gz SSMVQCMHGWLWOH-UHFFFAOYSA-N -1 3 389.456 3.128 20 0 GGADHM CCCCOCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736463454 598667312 /nfs/dbraw/zinc/66/73/12/598667312.db2.gz NVDQRTWVUKVAPY-UHFFFAOYSA-N -1 3 381.436 3.206 20 0 GGADHM CCCCOCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736463454 598667314 /nfs/dbraw/zinc/66/73/14/598667314.db2.gz NVDQRTWVUKVAPY-UHFFFAOYSA-N -1 3 381.436 3.206 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736423736 598667814 /nfs/dbraw/zinc/66/78/14/598667814.db2.gz NVPXCDVSKFMYQP-STQMWFEESA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736423736 598667816 /nfs/dbraw/zinc/66/78/16/598667816.db2.gz NVPXCDVSKFMYQP-STQMWFEESA-N -1 3 376.892 3.041 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736445983 598667894 /nfs/dbraw/zinc/66/78/94/598667894.db2.gz FYNVJMPCBGRLJG-CQSZACIVSA-N -1 3 390.919 3.433 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736445983 598667896 /nfs/dbraw/zinc/66/78/96/598667896.db2.gz FYNVJMPCBGRLJG-CQSZACIVSA-N -1 3 390.919 3.433 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737022997 598668705 /nfs/dbraw/zinc/66/87/05/598668705.db2.gz FVMLOAXPHWFREG-UHFFFAOYSA-N -1 3 397.504 3.243 20 0 GGADHM COc1c(C)cc(CN(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737022997 598668708 /nfs/dbraw/zinc/66/87/08/598668708.db2.gz FVMLOAXPHWFREG-UHFFFAOYSA-N -1 3 397.504 3.243 20 0 GGADHM Cc1ccc2c(CCNC(=O)CSc3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000737371297 598668976 /nfs/dbraw/zinc/66/89/76/598668976.db2.gz BCGNOQVUEUEPBB-UHFFFAOYSA-N -1 3 392.488 3.107 20 0 GGADHM Cc1ccc2c(CCNC(=O)CSc3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000737371297 598668978 /nfs/dbraw/zinc/66/89/78/598668978.db2.gz BCGNOQVUEUEPBB-UHFFFAOYSA-N -1 3 392.488 3.107 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736167781 598669015 /nfs/dbraw/zinc/66/90/15/598669015.db2.gz GKLIUXVLEHAKIS-BBRMVZONSA-N -1 3 397.866 3.304 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737487837 598671298 /nfs/dbraw/zinc/67/12/98/598671298.db2.gz KAOMEJIARJKSRY-SIFUEBAJSA-N -1 3 380.477 3.181 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737487837 598671300 /nfs/dbraw/zinc/67/13/00/598671300.db2.gz KAOMEJIARJKSRY-SIFUEBAJSA-N -1 3 380.477 3.181 20 0 GGADHM Cc1cc(N2CCC[C@H](n3ccnc3)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271099 598673224 /nfs/dbraw/zinc/67/32/24/598673224.db2.gz IQGRCEHFZPEPPL-HNNXBMFYSA-N -1 3 399.462 3.014 20 0 GGADHM Cc1cc(N2CCC[C@H](n3ccnc3)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271099 598673225 /nfs/dbraw/zinc/67/32/25/598673225.db2.gz IQGRCEHFZPEPPL-HNNXBMFYSA-N -1 3 399.462 3.014 20 0 GGADHM O=C(Nc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000738173889 598674953 /nfs/dbraw/zinc/67/49/53/598674953.db2.gz VFGWOASDCQVTDS-UHFFFAOYSA-N -1 3 379.351 3.430 20 0 GGADHM O=C(Nc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000738173889 598674955 /nfs/dbraw/zinc/67/49/55/598674955.db2.gz VFGWOASDCQVTDS-UHFFFAOYSA-N -1 3 379.351 3.430 20 0 GGADHM CCCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736479234 598675000 /nfs/dbraw/zinc/67/50/00/598675000.db2.gz FHBNSCSJONUAQX-UHFFFAOYSA-N -1 3 377.857 3.125 20 0 GGADHM CCCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736479234 598675002 /nfs/dbraw/zinc/67/50/02/598675002.db2.gz FHBNSCSJONUAQX-UHFFFAOYSA-N -1 3 377.857 3.125 20 0 GGADHM Cc1cc(Br)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737232226 598675562 /nfs/dbraw/zinc/67/55/62/598675562.db2.gz ZLPZMIDLWPJZJS-UHFFFAOYSA-N -1 3 385.269 3.433 20 0 GGADHM Cc1cc(Br)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737232226 598675564 /nfs/dbraw/zinc/67/55/64/598675564.db2.gz ZLPZMIDLWPJZJS-UHFFFAOYSA-N -1 3 385.269 3.433 20 0 GGADHM Fc1cc(Br)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737645211 598680392 /nfs/dbraw/zinc/68/03/92/598680392.db2.gz RXGMCWMPCJKLCW-UHFFFAOYSA-N -1 3 389.232 3.264 20 0 GGADHM Fc1cc(Br)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737645211 598680394 /nfs/dbraw/zinc/68/03/94/598680394.db2.gz RXGMCWMPCJKLCW-UHFFFAOYSA-N -1 3 389.232 3.264 20 0 GGADHM Brc1ccccc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735374372 598680524 /nfs/dbraw/zinc/68/05/24/598680524.db2.gz BAXXLUOJHFGZRT-CQSZACIVSA-N -1 3 385.269 3.320 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H]1c1ccccc1 ZINC000737832719 598684137 /nfs/dbraw/zinc/68/41/37/598684137.db2.gz KMRRUPIYGJUQMW-LJQANCHMSA-N -1 3 377.448 3.389 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H]1c1ccccc1 ZINC000737832719 598684139 /nfs/dbraw/zinc/68/41/39/598684139.db2.gz KMRRUPIYGJUQMW-LJQANCHMSA-N -1 3 377.448 3.389 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCc2sccc2C1 ZINC000737832310 598689069 /nfs/dbraw/zinc/68/90/69/598689069.db2.gz JGPGGJQHLYMGTR-UHFFFAOYSA-N -1 3 397.504 3.452 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCc2sccc2C1 ZINC000737832310 598689071 /nfs/dbraw/zinc/68/90/71/598689071.db2.gz JGPGGJQHLYMGTR-UHFFFAOYSA-N -1 3 397.504 3.452 20 0 GGADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000735761909 598693446 /nfs/dbraw/zinc/69/34/46/598693446.db2.gz RLALXNCVRNWGFV-AWEZNQCLSA-N -1 3 380.452 3.005 20 0 GGADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000735761909 598693447 /nfs/dbraw/zinc/69/34/47/598693447.db2.gz RLALXNCVRNWGFV-AWEZNQCLSA-N -1 3 380.452 3.005 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)NCCc1cccs1 ZINC000736188878 598695907 /nfs/dbraw/zinc/69/59/07/598695907.db2.gz MDSVJTRHHAHEOO-LLVKDONJSA-N -1 3 391.497 3.048 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)NCCc1cccs1 ZINC000736188878 598695908 /nfs/dbraw/zinc/69/59/08/598695908.db2.gz MDSVJTRHHAHEOO-LLVKDONJSA-N -1 3 391.497 3.048 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)NC1CCC(C)CC1 ZINC000736240775 598696141 /nfs/dbraw/zinc/69/61/41/598696141.db2.gz LMCIOIVRLHOFNL-MQYJIDSJSA-N -1 3 377.489 3.322 20 0 GGADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)NC1CCC(C)CC1 ZINC000736240775 598696143 /nfs/dbraw/zinc/69/61/43/598696143.db2.gz LMCIOIVRLHOFNL-MQYJIDSJSA-N -1 3 377.489 3.322 20 0 GGADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)NC1CCC(C)CC1 ZINC000736240774 598696160 /nfs/dbraw/zinc/69/61/60/598696160.db2.gz LMCIOIVRLHOFNL-AVERBVTBSA-N -1 3 377.489 3.322 20 0 GGADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)NC1CCC(C)CC1 ZINC000736240774 598696162 /nfs/dbraw/zinc/69/61/62/598696162.db2.gz LMCIOIVRLHOFNL-AVERBVTBSA-N -1 3 377.489 3.322 20 0 GGADHM Cc1ccccc1CNC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737427213 598696582 /nfs/dbraw/zinc/69/65/82/598696582.db2.gz AVCHNNNFISYJDH-ZDUSSCGKSA-N -1 3 385.468 3.252 20 0 GGADHM Cc1ccccc1CNC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737427213 598696584 /nfs/dbraw/zinc/69/65/84/598696584.db2.gz AVCHNNNFISYJDH-ZDUSSCGKSA-N -1 3 385.468 3.252 20 0 GGADHM COc1ccccc1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737153405 598696651 /nfs/dbraw/zinc/69/66/51/598696651.db2.gz RBXJKKLAMNXVSS-NSHDSACASA-N -1 3 387.440 3.275 20 0 GGADHM COc1ccccc1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737153405 598696652 /nfs/dbraw/zinc/69/66/52/598696652.db2.gz RBXJKKLAMNXVSS-NSHDSACASA-N -1 3 387.440 3.275 20 0 GGADHM COc1ccc(-c2nc(CSCc3ccc(F)cc3-c3nnn[n-]3)no2)cc1 ZINC000737056536 598696685 /nfs/dbraw/zinc/69/66/85/598696685.db2.gz LQENNWXTHCQSNX-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM COc1ccc(-c2nc(CSCc3ccc(F)cc3-c3nn[n-]n3)no2)cc1 ZINC000737056536 598696686 /nfs/dbraw/zinc/69/66/86/598696686.db2.gz LQENNWXTHCQSNX-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccccc1F ZINC000737850225 598697584 /nfs/dbraw/zinc/69/75/84/598697584.db2.gz NWDCKBLTJSYACV-UHFFFAOYSA-N -1 3 375.404 3.407 20 0 GGADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccccc1F ZINC000737850225 598697585 /nfs/dbraw/zinc/69/75/85/598697585.db2.gz NWDCKBLTJSYACV-UHFFFAOYSA-N -1 3 375.404 3.407 20 0 GGADHM O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000738245175 598702219 /nfs/dbraw/zinc/70/22/19/598702219.db2.gz NJQYQKNCOKLZCO-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738245175 598702220 /nfs/dbraw/zinc/70/22/20/598702220.db2.gz NJQYQKNCOKLZCO-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737264125 598702902 /nfs/dbraw/zinc/70/29/02/598702902.db2.gz NRKWERVJLWRGLE-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737264125 598702903 /nfs/dbraw/zinc/70/29/03/598702903.db2.gz NRKWERVJLWRGLE-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccn1Cc1ccccc1 ZINC000738236401 598705527 /nfs/dbraw/zinc/70/55/27/598705527.db2.gz XYECSBVLTKOCEJ-UHFFFAOYSA-N -1 3 377.379 3.213 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccn1Cc1ccccc1 ZINC000738236401 598705528 /nfs/dbraw/zinc/70/55/28/598705528.db2.gz XYECSBVLTKOCEJ-UHFFFAOYSA-N -1 3 377.379 3.213 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736411894 598709435 /nfs/dbraw/zinc/70/94/35/598709435.db2.gz PYIGSRLPHNGKTO-MLGOLLRUSA-N -1 3 383.477 3.232 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000737956156 598711399 /nfs/dbraw/zinc/71/13/99/598711399.db2.gz WKGRXXAQXOWNPV-UHFFFAOYSA-N -1 3 397.341 3.086 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000737956156 598711400 /nfs/dbraw/zinc/71/14/00/598711400.db2.gz WKGRXXAQXOWNPV-UHFFFAOYSA-N -1 3 397.341 3.086 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000735660264 598713153 /nfs/dbraw/zinc/71/31/53/598713153.db2.gz KQTFERFLXWFEIJ-AWEZNQCLSA-N -1 3 379.468 3.275 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000735660264 598713155 /nfs/dbraw/zinc/71/31/55/598713155.db2.gz KQTFERFLXWFEIJ-AWEZNQCLSA-N -1 3 379.468 3.275 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736270299 598713235 /nfs/dbraw/zinc/71/32/35/598713235.db2.gz JORMFEXZDJXALW-BBRMVZONSA-N -1 3 376.482 3.097 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736270299 598713237 /nfs/dbraw/zinc/71/32/37/598713237.db2.gz JORMFEXZDJXALW-BBRMVZONSA-N -1 3 376.482 3.097 20 0 GGADHM CCc1cccc2c(CCNC(=O)Nc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736695610 598714054 /nfs/dbraw/zinc/71/40/54/598714054.db2.gz OPTLAGPXCNSCIG-UHFFFAOYSA-N -1 3 375.436 3.275 20 0 GGADHM CCc1cccc2c(CCNC(=O)Nc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736695610 598714056 /nfs/dbraw/zinc/71/40/56/598714056.db2.gz OPTLAGPXCNSCIG-UHFFFAOYSA-N -1 3 375.436 3.275 20 0 GGADHM Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737315129 598714214 /nfs/dbraw/zinc/71/42/14/598714214.db2.gz JYMNFFLRWYGGLP-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737315129 598714216 /nfs/dbraw/zinc/71/42/16/598714216.db2.gz JYMNFFLRWYGGLP-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM CCc1ccc(C(=O)[C@H](C)OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736678153 598715277 /nfs/dbraw/zinc/71/52/77/598715277.db2.gz UYJYMJKUGBXAIM-ZDUSSCGKSA-N -1 3 396.472 3.336 20 0 GGADHM CCc1ccc(C(=O)[C@H](C)OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736678153 598715279 /nfs/dbraw/zinc/71/52/79/598715279.db2.gz UYJYMJKUGBXAIM-ZDUSSCGKSA-N -1 3 396.472 3.336 20 0 GGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736299101 598715465 /nfs/dbraw/zinc/71/54/65/598715465.db2.gz SFWKTXGTHCSQSN-SJKOYZFVSA-N -1 3 379.468 3.478 20 0 GGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736299101 598715466 /nfs/dbraw/zinc/71/54/66/598715466.db2.gz SFWKTXGTHCSQSN-SJKOYZFVSA-N -1 3 379.468 3.478 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(Cc2ccccc2F)CC1 ZINC000738178761 598716461 /nfs/dbraw/zinc/71/64/61/598716461.db2.gz KOHLJZAKWJBWLS-UHFFFAOYSA-N -1 3 380.427 3.492 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(Cc2ccccc2F)CC1 ZINC000738178761 598716462 /nfs/dbraw/zinc/71/64/62/598716462.db2.gz KOHLJZAKWJBWLS-UHFFFAOYSA-N -1 3 380.427 3.492 20 0 GGADHM CCC(CC)[C@H](O)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736338196 598721981 /nfs/dbraw/zinc/72/19/81/598721981.db2.gz PHDQFZFMTQZDCI-LJQANCHMSA-N -1 3 395.463 3.186 20 0 GGADHM CCC(CC)[C@H](O)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736338196 598721982 /nfs/dbraw/zinc/72/19/82/598721982.db2.gz PHDQFZFMTQZDCI-LJQANCHMSA-N -1 3 395.463 3.186 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000737291777 598724305 /nfs/dbraw/zinc/72/43/05/598724305.db2.gz PNFJNOYREIUJKX-LJQANCHMSA-N -1 3 385.431 3.481 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000737291777 598724306 /nfs/dbraw/zinc/72/43/06/598724306.db2.gz PNFJNOYREIUJKX-LJQANCHMSA-N -1 3 385.431 3.481 20 0 GGADHM C[C@H](CSc1ccccc1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000736046442 598724817 /nfs/dbraw/zinc/72/48/17/598724817.db2.gz JSDFOXMISDQIAK-CQSZACIVSA-N -1 3 384.461 3.217 20 0 GGADHM C[C@H](CSc1ccccc1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000736046442 598724818 /nfs/dbraw/zinc/72/48/18/598724818.db2.gz JSDFOXMISDQIAK-CQSZACIVSA-N -1 3 384.461 3.217 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N[C@H]1CCCC[C@H]1O ZINC000738174382 598724922 /nfs/dbraw/zinc/72/49/22/598724922.db2.gz YNEUQKIXQVSBON-ZWKOTPCHSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N[C@H]1CCCC[C@H]1O ZINC000738174382 598724923 /nfs/dbraw/zinc/72/49/23/598724923.db2.gz YNEUQKIXQVSBON-ZWKOTPCHSA-N -1 3 394.435 3.084 20 0 GGADHM CC(C)c1ccc(CCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347907 607365390 /nfs/dbraw/zinc/36/53/90/607365390.db2.gz SAMIOPUFGGKMHY-UHFFFAOYSA-N -1 3 378.432 3.349 20 0 GGADHM CC(C)c1ccc(CCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347907 607365391 /nfs/dbraw/zinc/36/53/91/607365391.db2.gz SAMIOPUFGGKMHY-UHFFFAOYSA-N -1 3 378.432 3.349 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccnc(Cl)c1 ZINC000737840917 598726613 /nfs/dbraw/zinc/72/66/13/598726613.db2.gz FJPOXEPLDHYDTN-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccnc(Cl)c1 ZINC000737840917 598726614 /nfs/dbraw/zinc/72/66/14/598726614.db2.gz FJPOXEPLDHYDTN-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCc2ccccc21 ZINC000736637570 598729521 /nfs/dbraw/zinc/72/95/21/598729521.db2.gz SWTIVUPTHWUXQB-OAHLLOKOSA-N -1 3 378.436 3.117 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCc2ccccc21 ZINC000736637570 598729522 /nfs/dbraw/zinc/72/95/22/598729522.db2.gz SWTIVUPTHWUXQB-OAHLLOKOSA-N -1 3 378.436 3.117 20 0 GGADHM c1cc(COc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738412749 598733944 /nfs/dbraw/zinc/73/39/44/598733944.db2.gz GZWPQYDLQWYJGR-QGZVFWFLSA-N -1 3 390.403 3.347 20 0 GGADHM c1cc(COc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738412749 598733945 /nfs/dbraw/zinc/73/39/45/598733945.db2.gz GZWPQYDLQWYJGR-QGZVFWFLSA-N -1 3 390.403 3.347 20 0 GGADHM c1cc(-c2nnn[n-]2)ccc1COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000738413576 598734063 /nfs/dbraw/zinc/73/40/63/598734063.db2.gz XDRVLYVNHMOBRC-QGZVFWFLSA-N -1 3 390.403 3.347 20 0 GGADHM c1cc(-c2nn[n-]n2)ccc1COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000738413576 598734065 /nfs/dbraw/zinc/73/40/65/598734065.db2.gz XDRVLYVNHMOBRC-QGZVFWFLSA-N -1 3 390.403 3.347 20 0 GGADHM CC(C)Sc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735921151 598738153 /nfs/dbraw/zinc/73/81/53/598738153.db2.gz LXUBAVCLXODHGZ-UHFFFAOYSA-N -1 3 384.465 3.031 20 0 GGADHM CC(C)Sc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735921151 598738155 /nfs/dbraw/zinc/73/81/55/598738155.db2.gz LXUBAVCLXODHGZ-UHFFFAOYSA-N -1 3 384.465 3.031 20 0 GGADHM COCCSc1ccc([C@@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737015572 598747041 /nfs/dbraw/zinc/74/70/41/598747041.db2.gz YPAFYTZLWFUUKM-LLVKDONJSA-N -1 3 389.506 3.158 20 0 GGADHM COCCSc1ccc([C@@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737015572 598747042 /nfs/dbraw/zinc/74/70/42/598747042.db2.gz YPAFYTZLWFUUKM-LLVKDONJSA-N -1 3 389.506 3.158 20 0 GGADHM O=C(c1cc2c(s1)CCC2)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738249103 598747832 /nfs/dbraw/zinc/74/78/32/598747832.db2.gz RPQFOFAVAJHRSL-UHFFFAOYSA-N -1 3 395.488 3.101 20 0 GGADHM c1cc(Oc2ccc(Nc3ccc4nccnc4n3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738421288 598747905 /nfs/dbraw/zinc/74/79/05/598747905.db2.gz QQZSMWGZWDRDBD-UHFFFAOYSA-N -1 3 382.387 3.114 20 0 GGADHM c1cc(Oc2ccc(Nc3ccc4nccnc4n3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738421288 598747906 /nfs/dbraw/zinc/74/79/06/598747906.db2.gz QQZSMWGZWDRDBD-UHFFFAOYSA-N -1 3 382.387 3.114 20 0 GGADHM Cc1ccccc1-n1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cn1 ZINC000737417825 598752163 /nfs/dbraw/zinc/75/21/63/598752163.db2.gz LUEWCKJGRUIQLJ-UHFFFAOYSA-N -1 3 399.458 3.166 20 0 GGADHM Cc1ccccc1-n1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cn1 ZINC000737417825 598752164 /nfs/dbraw/zinc/75/21/64/598752164.db2.gz LUEWCKJGRUIQLJ-UHFFFAOYSA-N -1 3 399.458 3.166 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000736185395 598754498 /nfs/dbraw/zinc/75/44/98/598754498.db2.gz UWNNVZBPMQEMFH-GFCCVEGCSA-N -1 3 383.839 3.093 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000736185395 598754499 /nfs/dbraw/zinc/75/44/99/598754499.db2.gz UWNNVZBPMQEMFH-GFCCVEGCSA-N -1 3 383.839 3.093 20 0 GGADHM Cc1c(C(=O)OCc2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1Cl ZINC000737209819 598758905 /nfs/dbraw/zinc/75/89/05/598758905.db2.gz VMRCURFCVKVRSH-UHFFFAOYSA-N -1 3 394.822 3.371 20 0 GGADHM Cc1c(C(=O)OCc2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000737209819 598758906 /nfs/dbraw/zinc/75/89/06/598758906.db2.gz VMRCURFCVKVRSH-UHFFFAOYSA-N -1 3 394.822 3.371 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737216399 598759283 /nfs/dbraw/zinc/75/92/83/598759283.db2.gz SNYLVVVBTZECBL-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737216399 598759284 /nfs/dbraw/zinc/75/92/84/598759284.db2.gz SNYLVVVBTZECBL-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737415188 598761004 /nfs/dbraw/zinc/76/10/04/598761004.db2.gz LTWZCMUDRQWFBQ-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737415188 598761006 /nfs/dbraw/zinc/76/10/06/598761006.db2.gz LTWZCMUDRQWFBQ-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1nc2n(c1C)CCN(Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1)C2 ZINC000737490271 598764534 /nfs/dbraw/zinc/76/45/34/598764534.db2.gz SCIBTBJVQBMDDS-UHFFFAOYSA-N -1 3 385.475 3.363 20 0 GGADHM Cc1nc2n(c1C)CCN(Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1)C2 ZINC000737490271 598764535 /nfs/dbraw/zinc/76/45/35/598764535.db2.gz SCIBTBJVQBMDDS-UHFFFAOYSA-N -1 3 385.475 3.363 20 0 GGADHM C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736204788 598765071 /nfs/dbraw/zinc/76/50/71/598765071.db2.gz VCBQUZHVOBOTDF-ZDUSSCGKSA-N -1 3 397.483 3.152 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2ccc(Br)cc21 ZINC000737795859 598766195 /nfs/dbraw/zinc/76/61/95/598766195.db2.gz BVUUMYIWAAGCOY-SOFGYWHQSA-N -1 3 396.248 3.232 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2ccc(Br)cc21 ZINC000737795859 598766197 /nfs/dbraw/zinc/76/61/97/598766197.db2.gz BVUUMYIWAAGCOY-SOFGYWHQSA-N -1 3 396.248 3.232 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737393455 598766646 /nfs/dbraw/zinc/76/66/46/598766646.db2.gz JLURNAJQCDDZKS-UHFFFAOYSA-N -1 3 398.470 3.342 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737393455 598766648 /nfs/dbraw/zinc/76/66/48/598766648.db2.gz JLURNAJQCDDZKS-UHFFFAOYSA-N -1 3 398.470 3.342 20 0 GGADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736664769 598768424 /nfs/dbraw/zinc/76/84/24/598768424.db2.gz DQTLAEISNJLOMH-GFCCVEGCSA-N -1 3 389.506 3.018 20 0 GGADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736664769 598768426 /nfs/dbraw/zinc/76/84/26/598768426.db2.gz DQTLAEISNJLOMH-GFCCVEGCSA-N -1 3 389.506 3.018 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3Cc4ccccc4O3)c2c1 ZINC000737644645 598770469 /nfs/dbraw/zinc/77/04/69/598770469.db2.gz JGFCRNPQOHRCEX-LBPRGKRZSA-N -1 3 380.358 3.109 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3Cc4ccccc4O3)c2c1 ZINC000737644645 598770471 /nfs/dbraw/zinc/77/04/71/598770471.db2.gz JGFCRNPQOHRCEX-LBPRGKRZSA-N -1 3 380.358 3.109 20 0 GGADHM CCCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000736487775 598772582 /nfs/dbraw/zinc/77/25/82/598772582.db2.gz JRSKFUADWWSCOA-ZDUSSCGKSA-N -1 3 388.422 3.479 20 0 GGADHM CCCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000736487775 598772584 /nfs/dbraw/zinc/77/25/84/598772584.db2.gz JRSKFUADWWSCOA-ZDUSSCGKSA-N -1 3 388.422 3.479 20 0 GGADHM CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736398708 598772747 /nfs/dbraw/zinc/77/27/47/598772747.db2.gz COFGEQIPFMPORF-KXBFYZLASA-N -1 3 398.511 3.388 20 0 GGADHM CC[C@H](C)[C@@](C)(O)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000736328724 598774076 /nfs/dbraw/zinc/77/40/76/598774076.db2.gz HZCKBJYXZLPMPU-RBZFPXEDSA-N -1 3 379.468 3.185 20 0 GGADHM CC[C@H](C)[C@@](C)(O)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736328724 598774077 /nfs/dbraw/zinc/77/40/77/598774077.db2.gz HZCKBJYXZLPMPU-RBZFPXEDSA-N -1 3 379.468 3.185 20 0 GGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000737106213 598775894 /nfs/dbraw/zinc/77/58/94/598775894.db2.gz PNFNLNVOXYJTDQ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000737106213 598775896 /nfs/dbraw/zinc/77/58/96/598775896.db2.gz PNFNLNVOXYJTDQ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM O=C1[C@H](SCc2ccc(F)cc2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000738297076 598777439 /nfs/dbraw/zinc/77/74/39/598777439.db2.gz OFYIKRAMURFFAZ-MRXNPFEDSA-N -1 3 387.415 3.184 20 0 GGADHM O=C1[C@H](SCc2ccc(F)cc2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000738297076 598777441 /nfs/dbraw/zinc/77/74/41/598777441.db2.gz OFYIKRAMURFFAZ-MRXNPFEDSA-N -1 3 387.415 3.184 20 0 GGADHM Cc1ccccc1[C@@H](O)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737419595 598780058 /nfs/dbraw/zinc/78/00/58/598780058.db2.gz DWIPNVKGKGMFBW-NRFANRHFSA-N -1 3 399.454 3.306 20 0 GGADHM Cc1ccccc1[C@@H](O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737419595 598780059 /nfs/dbraw/zinc/78/00/59/598780059.db2.gz DWIPNVKGKGMFBW-NRFANRHFSA-N -1 3 399.454 3.306 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000735906132 598780485 /nfs/dbraw/zinc/78/04/85/598780485.db2.gz PCULUEXEJAMKFD-LBPRGKRZSA-N -1 3 382.424 3.242 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000735906132 598780486 /nfs/dbraw/zinc/78/04/86/598780486.db2.gz PCULUEXEJAMKFD-LBPRGKRZSA-N -1 3 382.424 3.242 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccccc2)CCOCC1 ZINC000738151915 598781814 /nfs/dbraw/zinc/78/18/14/598781814.db2.gz KRSWFLHWUCWNBY-UHFFFAOYSA-N -1 3 398.854 3.348 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccccc2)CCOCC1 ZINC000738151915 598781815 /nfs/dbraw/zinc/78/18/15/598781815.db2.gz KRSWFLHWUCWNBY-UHFFFAOYSA-N -1 3 398.854 3.348 20 0 GGADHM C[C@H]1CCC[C@@H](CNC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736252074 598783750 /nfs/dbraw/zinc/78/37/50/598783750.db2.gz PFLMHXHTADERDR-JKSUJKDBSA-N -1 3 398.511 3.246 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737420656 598784503 /nfs/dbraw/zinc/78/45/03/598784503.db2.gz IMTQIULVWHHNEY-SFHVURJKSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737420656 598784505 /nfs/dbraw/zinc/78/45/05/598784505.db2.gz IMTQIULVWHHNEY-SFHVURJKSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(N(C)Cc3ccc(-c4nnn[n-]4)cc3)nc2)cc1 ZINC000737361047 598786125 /nfs/dbraw/zinc/78/61/25/598786125.db2.gz RAHMWOLXDLAHBL-UHFFFAOYSA-N -1 3 399.458 3.459 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(N(C)Cc3ccc(-c4nn[n-]n4)cc3)nc2)cc1 ZINC000737361047 598786127 /nfs/dbraw/zinc/78/61/27/598786127.db2.gz RAHMWOLXDLAHBL-UHFFFAOYSA-N -1 3 399.458 3.459 20 0 GGADHM CC(C)Oc1ccc(CCCOC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735914678 598786209 /nfs/dbraw/zinc/78/62/09/598786209.db2.gz IFLOCNHLQCZSQT-UHFFFAOYSA-N -1 3 396.447 3.209 20 0 GGADHM CC(C)Oc1ccc(CCCOC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735914678 598786210 /nfs/dbraw/zinc/78/62/10/598786210.db2.gz IFLOCNHLQCZSQT-UHFFFAOYSA-N -1 3 396.447 3.209 20 0 GGADHM CC(C)c1nc2n(n1)C[C@@H](Nc1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CC2 ZINC000735942878 598787046 /nfs/dbraw/zinc/78/70/46/598787046.db2.gz OAJHYSNQDCCTAI-NSHDSACASA-N -1 3 392.389 3.027 20 0 GGADHM CC(C)c1nc2n(n1)C[C@@H](Nc1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CC2 ZINC000735942878 598787048 /nfs/dbraw/zinc/78/70/48/598787048.db2.gz OAJHYSNQDCCTAI-NSHDSACASA-N -1 3 392.389 3.027 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736182396 598790720 /nfs/dbraw/zinc/79/07/20/598790720.db2.gz NVTAWSAOJUQECP-HNAYVOBHSA-N -1 3 379.464 3.490 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736182396 598790721 /nfs/dbraw/zinc/79/07/21/598790721.db2.gz NVTAWSAOJUQECP-HNAYVOBHSA-N -1 3 379.464 3.490 20 0 GGADHM O=C(Nc1ccc(Cl)nc1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000738164368 598791146 /nfs/dbraw/zinc/79/11/46/598791146.db2.gz XKJDKQCSJMKGNC-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM O=C(Nc1ccc(Cl)nc1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000738164368 598791147 /nfs/dbraw/zinc/79/11/47/598791147.db2.gz XKJDKQCSJMKGNC-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000737152644 598791388 /nfs/dbraw/zinc/79/13/88/598791388.db2.gz LBZVYGJBMKHMSO-UHFFFAOYSA-N -1 3 381.436 3.091 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000737152644 598791390 /nfs/dbraw/zinc/79/13/90/598791390.db2.gz LBZVYGJBMKHMSO-UHFFFAOYSA-N -1 3 381.436 3.091 20 0 GGADHM CCCCCNC(=O)C1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736451485 598792908 /nfs/dbraw/zinc/79/29/08/598792908.db2.gz OJQAMTQCEAKKMT-UHFFFAOYSA-N -1 3 376.892 3.043 20 0 GGADHM CCCCCNC(=O)C1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736451485 598792909 /nfs/dbraw/zinc/79/29/09/598792909.db2.gz OJQAMTQCEAKKMT-UHFFFAOYSA-N -1 3 376.892 3.043 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000736183974 598793988 /nfs/dbraw/zinc/79/39/88/598793988.db2.gz VJFBUIAOPQAVQG-PXAZEXFGSA-N -1 3 399.401 3.276 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000736183974 598793989 /nfs/dbraw/zinc/79/39/89/598793989.db2.gz VJFBUIAOPQAVQG-PXAZEXFGSA-N -1 3 399.401 3.276 20 0 GGADHM CCCNC(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000736487884 598798733 /nfs/dbraw/zinc/79/87/33/598798733.db2.gz MTKIZKUBSSEAIA-ZHACJKMWSA-N -1 3 392.419 3.017 20 0 GGADHM CCCNC(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000736487884 598798734 /nfs/dbraw/zinc/79/87/34/598798734.db2.gz MTKIZKUBSSEAIA-ZHACJKMWSA-N -1 3 392.419 3.017 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCc2ccccc21 ZINC000736170397 598798806 /nfs/dbraw/zinc/79/88/06/598798806.db2.gz UFXKURTWVGINJP-RHSMWYFYSA-N -1 3 378.432 3.297 20 0 GGADHM COc1cccc(C[C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737129858 598798996 /nfs/dbraw/zinc/79/89/96/598798996.db2.gz MKBQLIXVGJKQDL-ZDUSSCGKSA-N -1 3 397.483 3.185 20 0 GGADHM COc1cccc(C[C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737129858 598798997 /nfs/dbraw/zinc/79/89/97/598798997.db2.gz MKBQLIXVGJKQDL-ZDUSSCGKSA-N -1 3 397.483 3.185 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCc2ccccc2C1 ZINC000737935701 598799358 /nfs/dbraw/zinc/79/93/58/598799358.db2.gz FFYLGKONFTTZJU-GOSISDBHSA-N -1 3 380.473 3.201 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2ccccc2C1 ZINC000737935701 598799359 /nfs/dbraw/zinc/79/93/59/598799359.db2.gz FFYLGKONFTTZJU-GOSISDBHSA-N -1 3 380.473 3.201 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738101120 598801265 /nfs/dbraw/zinc/80/12/65/598801265.db2.gz FLVYPFOEUJMZNN-UHFFFAOYSA-N -1 3 398.417 3.234 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738101120 598801266 /nfs/dbraw/zinc/80/12/66/598801266.db2.gz FLVYPFOEUJMZNN-UHFFFAOYSA-N -1 3 398.417 3.234 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000736629086 598802907 /nfs/dbraw/zinc/80/29/07/598802907.db2.gz TWRIJUHDTFQNJJ-FZMZJTMJSA-N -1 3 394.859 3.420 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000736629086 598802908 /nfs/dbraw/zinc/80/29/08/598802908.db2.gz TWRIJUHDTFQNJJ-FZMZJTMJSA-N -1 3 394.859 3.420 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736171129 598805853 /nfs/dbraw/zinc/80/58/53/598805853.db2.gz ZWOXULQPYDSPOM-CYBMUJFWSA-N -1 3 379.420 3.062 20 0 GGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736058820 598806000 /nfs/dbraw/zinc/80/60/00/598806000.db2.gz POVSSYDEYWFJLQ-ZDUSSCGKSA-N -1 3 391.410 3.009 20 0 GGADHM Cc1ccccc1SCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737431353 598807677 /nfs/dbraw/zinc/80/76/77/598807677.db2.gz IBSMNXNOWCHEHW-UHFFFAOYSA-N -1 3 391.460 3.092 20 0 GGADHM CC(C)Oc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735914710 598808283 /nfs/dbraw/zinc/80/82/83/598808283.db2.gz IMUXXSUAMZUSOD-UHFFFAOYSA-N -1 3 389.419 3.092 20 0 GGADHM CCCc1nc(C)c(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736494415 598808803 /nfs/dbraw/zinc/80/88/03/598808803.db2.gz ATMNXJZMQLATKN-UHFFFAOYSA-N -1 3 394.464 3.022 20 0 GGADHM O=C(C=Cc1ccccc1Cl)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737803530 598809119 /nfs/dbraw/zinc/80/91/19/598809119.db2.gz UDVTYLVBRGRXBM-JXMROGBWSA-N -1 3 391.822 3.358 20 0 GGADHM CSc1ccc(C)c(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737193427 598813899 /nfs/dbraw/zinc/81/38/99/598813899.db2.gz RTXJQHHJUQKAJH-UHFFFAOYSA-N -1 3 391.460 3.335 20 0 GGADHM Fc1ccc(Br)cc1CN(c1ncccc1-c1nnn[n-]1)C1CC1 ZINC000737647268 598815926 /nfs/dbraw/zinc/81/59/26/598815926.db2.gz DMQBOPKRCOOBSZ-UHFFFAOYSA-N -1 3 389.232 3.332 20 0 GGADHM Fc1ccc(Br)cc1CN(c1ncccc1-c1nn[n-]n1)C1CC1 ZINC000737647268 598815928 /nfs/dbraw/zinc/81/59/28/598815928.db2.gz DMQBOPKRCOOBSZ-UHFFFAOYSA-N -1 3 389.232 3.332 20 0 GGADHM COCCN(c1ncccc1-c1nnn[n-]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000737005907 598816379 /nfs/dbraw/zinc/81/63/79/598816379.db2.gz CWLCDJNLPXRYNZ-GFCCVEGCSA-N -1 3 392.385 3.495 20 0 GGADHM COCCN(c1ncccc1-c1nn[n-]n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000737005907 598816381 /nfs/dbraw/zinc/81/63/81/598816381.db2.gz CWLCDJNLPXRYNZ-GFCCVEGCSA-N -1 3 392.385 3.495 20 0 GGADHM O=C(CNc1ccc(OCC2CC2)cc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737897643 598819382 /nfs/dbraw/zinc/81/93/82/598819382.db2.gz CWSZCPSWYOXCGY-UHFFFAOYSA-N -1 3 398.854 3.360 20 0 GGADHM O=C(CNc1ccc(OCC2CC2)cc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737897643 598819383 /nfs/dbraw/zinc/81/93/83/598819383.db2.gz CWSZCPSWYOXCGY-UHFFFAOYSA-N -1 3 398.854 3.360 20 0 GGADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccc(C2CCCCC2)cc1 ZINC000738205765 599294908 /nfs/dbraw/zinc/29/49/08/599294908.db2.gz BVZJBYAGRRBYTD-UHFFFAOYSA-N -1 3 395.492 3.469 20 0 GGADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccc(C2CCCCC2)cc1 ZINC000738205765 599294911 /nfs/dbraw/zinc/29/49/11/599294911.db2.gz BVZJBYAGRRBYTD-UHFFFAOYSA-N -1 3 395.492 3.469 20 0 GGADHM CCCOc1ccc(OCC(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736493554 599310640 /nfs/dbraw/zinc/31/06/40/599310640.db2.gz XIDCJTCNFDAGHN-UHFFFAOYSA-N -1 3 381.436 3.087 20 0 GGADHM CCCOc1ccc(OCC(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736493554 599310643 /nfs/dbraw/zinc/31/06/43/599310643.db2.gz XIDCJTCNFDAGHN-UHFFFAOYSA-N -1 3 381.436 3.087 20 0 GGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000736195246 599311121 /nfs/dbraw/zinc/31/11/21/599311121.db2.gz FHMUCGWSBHYFOC-KRWDZBQOSA-N -1 3 396.539 3.432 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820882235 599322810 /nfs/dbraw/zinc/32/28/10/599322810.db2.gz MUNJFPVSUJLDEG-UONOGXRCSA-N -1 3 385.493 3.420 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820882235 599322812 /nfs/dbraw/zinc/32/28/12/599322812.db2.gz MUNJFPVSUJLDEG-UONOGXRCSA-N -1 3 385.493 3.420 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737152592 599324331 /nfs/dbraw/zinc/32/43/31/599324331.db2.gz KMQCFWZURDWIMT-LLVKDONJSA-N -1 3 392.385 3.357 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737152592 599324334 /nfs/dbraw/zinc/32/43/34/599324334.db2.gz KMQCFWZURDWIMT-LLVKDONJSA-N -1 3 392.385 3.357 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(Br)c1 ZINC000737061741 599328994 /nfs/dbraw/zinc/32/89/94/599328994.db2.gz DHCIBDXIZKAEJX-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(Br)c1 ZINC000737061741 599328997 /nfs/dbraw/zinc/32/89/97/599328997.db2.gz DHCIBDXIZKAEJX-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000822505849 599329572 /nfs/dbraw/zinc/32/95/72/599329572.db2.gz XWBYGSSVDYUMOU-KUHUBIRLSA-N -1 3 386.463 3.084 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000822505849 599329574 /nfs/dbraw/zinc/32/95/74/599329574.db2.gz XWBYGSSVDYUMOU-KUHUBIRLSA-N -1 3 386.463 3.084 20 0 GGADHM COC(=O)C(C)(C)c1ccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736889616 599330425 /nfs/dbraw/zinc/33/04/25/599330425.db2.gz UXAXDCZJUUOVKY-UHFFFAOYSA-N -1 3 395.463 3.198 20 0 GGADHM O=C(CNc1ccc(OC2CCCC2)c(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737899030 599331152 /nfs/dbraw/zinc/33/11/52/599331152.db2.gz OTOYDCGFORDONZ-UHFFFAOYSA-N -1 3 396.426 3.378 20 0 GGADHM O=C(CNc1ccc(OC2CCCC2)c(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737899030 599331154 /nfs/dbraw/zinc/33/11/54/599331154.db2.gz OTOYDCGFORDONZ-UHFFFAOYSA-N -1 3 396.426 3.378 20 0 GGADHM COc1ccccc1CNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737150691 599331568 /nfs/dbraw/zinc/33/15/68/599331568.db2.gz RVOHKMVBJWPPRC-KGLIPLIRSA-N -1 3 397.504 3.374 20 0 GGADHM COc1ccccc1CNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737150691 599331570 /nfs/dbraw/zinc/33/15/70/599331570.db2.gz RVOHKMVBJWPPRC-KGLIPLIRSA-N -1 3 397.504 3.374 20 0 GGADHM C[C@H](NC(=O)NCc1ccccc1OC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118674 599331845 /nfs/dbraw/zinc/33/18/45/599331845.db2.gz NYXPULYKBDFROV-AWEZNQCLSA-N -1 3 392.463 3.358 20 0 GGADHM C[C@H](NC(=O)NCc1ccccc1OC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118674 599331848 /nfs/dbraw/zinc/33/18/48/599331848.db2.gz NYXPULYKBDFROV-AWEZNQCLSA-N -1 3 392.463 3.358 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736251511 599332279 /nfs/dbraw/zinc/33/22/79/599332279.db2.gz OTZJJCXRRYWSCV-GHMZBOCLSA-N -1 3 382.390 3.087 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736251511 599332281 /nfs/dbraw/zinc/33/22/81/599332281.db2.gz OTZJJCXRRYWSCV-GHMZBOCLSA-N -1 3 382.390 3.087 20 0 GGADHM Cc1cccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737400459 599332750 /nfs/dbraw/zinc/33/27/50/599332750.db2.gz RVRORDOSQAETPI-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM Cc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737400459 599332753 /nfs/dbraw/zinc/33/27/53/599332753.db2.gz RVRORDOSQAETPI-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCc1ccc(O)cc1 ZINC000735875681 599336987 /nfs/dbraw/zinc/33/69/87/599336987.db2.gz ZNFFRUZZOYPDTI-UHFFFAOYSA-N -1 3 394.479 3.125 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCc1ccc(O)cc1 ZINC000735875681 599336989 /nfs/dbraw/zinc/33/69/89/599336989.db2.gz ZNFFRUZZOYPDTI-UHFFFAOYSA-N -1 3 394.479 3.125 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)[C@H]2CCCC[C@@H]12 ZINC000820726984 599338204 /nfs/dbraw/zinc/33/82/04/599338204.db2.gz DXXYCXIYCVXHQJ-ZLDLUXBVSA-N -1 3 395.916 3.109 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H]1CSc2ccccc21 ZINC000736038084 599340001 /nfs/dbraw/zinc/34/00/01/599340001.db2.gz RWTCTKGZMHIQFV-MLGOLLRUSA-N -1 3 382.445 3.067 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H]1CSc2ccccc21 ZINC000736038084 599340002 /nfs/dbraw/zinc/34/00/02/599340002.db2.gz RWTCTKGZMHIQFV-MLGOLLRUSA-N -1 3 382.445 3.067 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000737032147 599342454 /nfs/dbraw/zinc/34/24/54/599342454.db2.gz DUCQUDGYNMGKBT-BFYDXBDKSA-N -1 3 399.495 3.214 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000737032147 599342456 /nfs/dbraw/zinc/34/24/56/599342456.db2.gz DUCQUDGYNMGKBT-BFYDXBDKSA-N -1 3 399.495 3.214 20 0 GGADHM COc1ccc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)c(OC)c1 ZINC000821766402 599346828 /nfs/dbraw/zinc/34/68/28/599346828.db2.gz VRVMTXXSRNOLDI-UHFFFAOYSA-N -1 3 396.432 3.226 20 0 GGADHM COc1ccc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)c(OC)c1 ZINC000821766402 599346830 /nfs/dbraw/zinc/34/68/30/599346830.db2.gz VRVMTXXSRNOLDI-UHFFFAOYSA-N -1 3 396.432 3.226 20 0 GGADHM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1C ZINC000822299644 599348062 /nfs/dbraw/zinc/34/80/62/599348062.db2.gz PYXMLZAYNUSKFJ-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1C ZINC000822299644 599348064 /nfs/dbraw/zinc/34/80/64/599348064.db2.gz PYXMLZAYNUSKFJ-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000820543144 599349464 /nfs/dbraw/zinc/34/94/64/599349464.db2.gz UWKUHWZLQSQWNA-LBPRGKRZSA-N -1 3 381.440 3.044 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000820543144 599349467 /nfs/dbraw/zinc/34/94/67/599349467.db2.gz UWKUHWZLQSQWNA-LBPRGKRZSA-N -1 3 381.440 3.044 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000823066022 599353164 /nfs/dbraw/zinc/35/31/64/599353164.db2.gz IWOUSGFYIKYUEG-UHFFFAOYSA-N -1 3 383.481 3.368 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000823066022 599353166 /nfs/dbraw/zinc/35/31/66/599353166.db2.gz IWOUSGFYIKYUEG-UHFFFAOYSA-N -1 3 383.481 3.368 20 0 GGADHM Cc1nc(-c2ccc(N[C@H](C)c3cccc(-c4nn[nH]n4)c3)nc2)[n-]c(=O)c1C ZINC000822418614 599355908 /nfs/dbraw/zinc/35/59/08/599355908.db2.gz ACRPMQGRJACXMX-CYBMUJFWSA-N -1 3 388.435 3.214 20 0 GGADHM C[C@@H](Nc1ncccc1I)c1cccc(-c2nnn[n-]2)c1 ZINC000820461021 599357192 /nfs/dbraw/zinc/35/71/92/599357192.db2.gz DQVHMIHPKHZURB-SECBINFHSA-N -1 3 392.204 3.039 20 0 GGADHM C[C@@H](Nc1ncccc1I)c1cccc(-c2nn[n-]n2)c1 ZINC000820461021 599357195 /nfs/dbraw/zinc/35/71/95/599357195.db2.gz DQVHMIHPKHZURB-SECBINFHSA-N -1 3 392.204 3.039 20 0 GGADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000822136622 599360809 /nfs/dbraw/zinc/36/08/09/599360809.db2.gz MYWJYASATNWKPM-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000822136622 599360811 /nfs/dbraw/zinc/36/08/11/599360811.db2.gz MYWJYASATNWKPM-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCc2nc3ccccc3o2)n1 ZINC000822723440 599361128 /nfs/dbraw/zinc/36/11/28/599361128.db2.gz FAIKUUWXNJOOGK-UHFFFAOYSA-N -1 3 375.314 3.076 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCc2nc3ccccc3o2)n1 ZINC000822723440 599361131 /nfs/dbraw/zinc/36/11/31/599361131.db2.gz FAIKUUWXNJOOGK-UHFFFAOYSA-N -1 3 375.314 3.076 20 0 GGADHM COc1c(C)cnc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1C ZINC000737026381 599368007 /nfs/dbraw/zinc/36/80/07/599368007.db2.gz RHDHXCLXIALLRH-UHFFFAOYSA-N -1 3 382.493 3.453 20 0 GGADHM COc1c(C)cnc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1C ZINC000737026381 599368010 /nfs/dbraw/zinc/36/80/10/599368010.db2.gz RHDHXCLXIALLRH-UHFFFAOYSA-N -1 3 382.493 3.453 20 0 GGADHM Brc1cccnc1SCCOc1ccccc1-c1nnn[n-]1 ZINC000735376078 599368965 /nfs/dbraw/zinc/36/89/65/599368965.db2.gz WKGOCGOQOJFVIU-UHFFFAOYSA-N -1 3 378.255 3.195 20 0 GGADHM Brc1cccnc1SCCOc1ccccc1-c1nn[n-]n1 ZINC000735376078 599368968 /nfs/dbraw/zinc/36/89/68/599368968.db2.gz WKGOCGOQOJFVIU-UHFFFAOYSA-N -1 3 378.255 3.195 20 0 GGADHM Cc1cccc([C@H](C)OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737386806 599376658 /nfs/dbraw/zinc/37/66/58/599376658.db2.gz CPJGQBIQGTZBPO-KXBFYZLASA-N -1 3 377.448 3.448 20 0 GGADHM Cc1cccc([C@@H](C)OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737386803 599376761 /nfs/dbraw/zinc/37/67/61/599376761.db2.gz CPJGQBIQGTZBPO-DNVCBOLYSA-N -1 3 377.448 3.448 20 0 GGADHM C[C@H](NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437648 599377979 /nfs/dbraw/zinc/37/79/79/599377979.db2.gz AYZSPNNGTAPGKW-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437648 599377982 /nfs/dbraw/zinc/37/79/82/599377982.db2.gz AYZSPNNGTAPGKW-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736963403 599378460 /nfs/dbraw/zinc/37/84/60/599378460.db2.gz SMZPYYDLWQLAGB-YJYMSZOUSA-N -1 3 399.882 3.345 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736963403 599378466 /nfs/dbraw/zinc/37/84/66/599378466.db2.gz SMZPYYDLWQLAGB-YJYMSZOUSA-N -1 3 399.882 3.345 20 0 GGADHM Brc1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000819688337 599378787 /nfs/dbraw/zinc/37/87/87/599378787.db2.gz GZNXOSCXOAYZGK-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM Brc1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000819688337 599378790 /nfs/dbraw/zinc/37/87/90/599378790.db2.gz GZNXOSCXOAYZGK-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000821737537 607371793 /nfs/dbraw/zinc/37/17/93/607371793.db2.gz XLTUBQRDOMTCCU-QGZVFWFLSA-N -1 3 395.463 3.435 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000821737537 607371796 /nfs/dbraw/zinc/37/17/96/607371796.db2.gz XLTUBQRDOMTCCU-QGZVFWFLSA-N -1 3 395.463 3.435 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000737851801 599379924 /nfs/dbraw/zinc/37/99/24/599379924.db2.gz JRIWKRGQBJJKED-UHFFFAOYSA-N -1 3 379.439 3.345 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000737851801 599379927 /nfs/dbraw/zinc/37/99/27/599379927.db2.gz JRIWKRGQBJJKED-UHFFFAOYSA-N -1 3 379.439 3.345 20 0 GGADHM CSCC[C@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737181856 599383481 /nfs/dbraw/zinc/38/34/81/599383481.db2.gz NZBWMGMMLBHQCZ-AWEZNQCLSA-N -1 3 397.504 3.317 20 0 GGADHM CSCC[C@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737181856 599383483 /nfs/dbraw/zinc/38/34/83/599383483.db2.gz NZBWMGMMLBHQCZ-AWEZNQCLSA-N -1 3 397.504 3.317 20 0 GGADHM CSc1ccc(OCCn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821982881 599386174 /nfs/dbraw/zinc/38/61/74/599386174.db2.gz BJXBSXKUCQFSGZ-UHFFFAOYSA-N -1 3 393.476 3.235 20 0 GGADHM CSc1ccc(OCCn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821982881 599386177 /nfs/dbraw/zinc/38/61/77/599386177.db2.gz BJXBSXKUCQFSGZ-UHFFFAOYSA-N -1 3 393.476 3.235 20 0 GGADHM CCN(CC)C(=O)[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821169694 599387104 /nfs/dbraw/zinc/38/71/04/599387104.db2.gz BASQTNCBCGCCEO-BEFAXECRSA-N -1 3 378.480 3.127 20 0 GGADHM COc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737089980 599393980 /nfs/dbraw/zinc/39/39/80/599393980.db2.gz CFGAUCHPXRRSQQ-UHFFFAOYSA-N -1 3 376.420 3.087 20 0 GGADHM COc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737089980 599393983 /nfs/dbraw/zinc/39/39/83/599393983.db2.gz CFGAUCHPXRRSQQ-UHFFFAOYSA-N -1 3 376.420 3.087 20 0 GGADHM CCc1ccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821486798 607372611 /nfs/dbraw/zinc/37/26/11/607372611.db2.gz LYZBDMLYQWGDCT-UHFFFAOYSA-N -1 3 380.452 3.267 20 0 GGADHM CCc1ccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821486798 607372613 /nfs/dbraw/zinc/37/26/13/607372613.db2.gz LYZBDMLYQWGDCT-UHFFFAOYSA-N -1 3 380.452 3.267 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Cl)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826421325 607369244 /nfs/dbraw/zinc/36/92/44/607369244.db2.gz CJADXUXOSGQAAR-UHFFFAOYSA-N -1 3 391.214 3.142 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Cl)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826421325 607369246 /nfs/dbraw/zinc/36/92/46/607369246.db2.gz CJADXUXOSGQAAR-UHFFFAOYSA-N -1 3 391.214 3.142 20 0 GGADHM CC(=CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000823942311 607369249 /nfs/dbraw/zinc/36/92/49/607369249.db2.gz AXSJPCRPBSTJNY-BENRWUELSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000823942311 607369252 /nfs/dbraw/zinc/36/92/52/607369252.db2.gz AXSJPCRPBSTJNY-BENRWUELSA-N -1 3 382.807 3.350 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)ccc1Br ZINC000821732522 607373585 /nfs/dbraw/zinc/37/35/85/607373585.db2.gz PFDJJHWTLKPXQQ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)ccc1Br ZINC000821732522 607373587 /nfs/dbraw/zinc/37/35/87/607373587.db2.gz PFDJJHWTLKPXQQ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM CSc1cccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821983688 607373757 /nfs/dbraw/zinc/37/37/57/607373757.db2.gz IQOIJHZELZUROK-UHFFFAOYSA-N -1 3 398.492 3.426 20 0 GGADHM CSc1cccc(NC(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821983688 607373759 /nfs/dbraw/zinc/37/37/59/607373759.db2.gz IQOIJHZELZUROK-UHFFFAOYSA-N -1 3 398.492 3.426 20 0 GGADHM C[C@@H](NC(=O)NCCCO[C@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365926 599403544 /nfs/dbraw/zinc/40/35/44/599403544.db2.gz LRRLWBDJPMCUMT-HZPDHXFCSA-N -1 3 394.479 3.395 20 0 GGADHM C[C@@H](NC(=O)NCCCO[C@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365926 599403547 /nfs/dbraw/zinc/40/35/47/599403547.db2.gz LRRLWBDJPMCUMT-HZPDHXFCSA-N -1 3 394.479 3.395 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358637 599403813 /nfs/dbraw/zinc/40/38/13/599403813.db2.gz OIFUQFZYNDZQGL-LRDDRELGSA-N -1 3 380.477 3.464 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358637 599403814 /nfs/dbraw/zinc/40/38/14/599403814.db2.gz OIFUQFZYNDZQGL-LRDDRELGSA-N -1 3 380.477 3.464 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820667947 599409947 /nfs/dbraw/zinc/40/99/47/599409947.db2.gz PDVPUEVLMIIIRN-ACJLOTCBSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820667947 599409949 /nfs/dbraw/zinc/40/99/49/599409949.db2.gz PDVPUEVLMIIIRN-ACJLOTCBSA-N -1 3 380.427 3.299 20 0 GGADHM Cc1cc(C)c(CCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194265 599412215 /nfs/dbraw/zinc/41/22/15/599412215.db2.gz PPMLQCFKELJULS-MRXNPFEDSA-N -1 3 378.480 3.395 20 0 GGADHM Cc1cc(C)c(CCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194265 599412216 /nfs/dbraw/zinc/41/22/16/599412216.db2.gz PPMLQCFKELJULS-MRXNPFEDSA-N -1 3 378.480 3.395 20 0 GGADHM Cc1ccc(NC(=O)C2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)nc1 ZINC000737357018 599412862 /nfs/dbraw/zinc/41/28/62/599412862.db2.gz UYVOGBXLVXAZIP-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM Cc1ccc(NC(=O)C2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)nc1 ZINC000737357018 599412864 /nfs/dbraw/zinc/41/28/64/599412864.db2.gz UYVOGBXLVXAZIP-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820667632 599414656 /nfs/dbraw/zinc/41/46/56/599414656.db2.gz NFXSTHBVPQIGGB-SCLBCKFNSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820667632 599414658 /nfs/dbraw/zinc/41/46/58/599414658.db2.gz NFXSTHBVPQIGGB-SCLBCKFNSA-N -1 3 380.427 3.299 20 0 GGADHM Cc1ccc([C@H](CNc2cc(Cl)ccc2-c2nn[n-]n2)N2CCOCC2)cc1 ZINC000737320444 599415101 /nfs/dbraw/zinc/41/51/01/599415101.db2.gz QYTRXOXLQAQESR-IBGZPJMESA-N -1 3 398.898 3.314 20 0 GGADHM CCC(CC)(C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825090058 607376412 /nfs/dbraw/zinc/37/64/12/607376412.db2.gz QYYKEEPLUVGHSN-UHFFFAOYSA-N -1 3 378.432 3.351 20 0 GGADHM CCC(CC)(C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825090058 607376414 /nfs/dbraw/zinc/37/64/14/607376414.db2.gz QYYKEEPLUVGHSN-UHFFFAOYSA-N -1 3 378.432 3.351 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nncn1-c1ccccc1C ZINC000821752840 607376459 /nfs/dbraw/zinc/37/64/59/607376459.db2.gz SYDQQRRFNABXDK-UHFFFAOYSA-N -1 3 379.449 3.057 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCC(=O)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826293169 607376495 /nfs/dbraw/zinc/37/64/95/607376495.db2.gz DHGXGYBWZPFRQY-UHFFFAOYSA-N -1 3 389.415 3.015 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCC(=O)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826293169 607376496 /nfs/dbraw/zinc/37/64/96/607376496.db2.gz DHGXGYBWZPFRQY-UHFFFAOYSA-N -1 3 389.415 3.015 20 0 GGADHM CCOc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821430718 599425135 /nfs/dbraw/zinc/42/51/35/599425135.db2.gz FOEYCFXPUOPPNC-KBPBESRZSA-N -1 3 380.452 3.387 20 0 GGADHM CCOc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821430718 599425138 /nfs/dbraw/zinc/42/51/38/599425138.db2.gz FOEYCFXPUOPPNC-KBPBESRZSA-N -1 3 380.452 3.387 20 0 GGADHM C[C@@H](NC(=O)NCCc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368146 599425283 /nfs/dbraw/zinc/42/52/83/599425283.db2.gz WRZYSFCVSZKQOA-CQSZACIVSA-N -1 3 387.447 3.018 20 0 GGADHM C[C@@H](NC(=O)NCCc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368146 599425285 /nfs/dbraw/zinc/42/52/85/599425285.db2.gz WRZYSFCVSZKQOA-CQSZACIVSA-N -1 3 387.447 3.018 20 0 GGADHM COc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821882634 599425956 /nfs/dbraw/zinc/42/59/56/599425956.db2.gz GJTHQLLVTGMDTM-AWEZNQCLSA-N -1 3 394.479 3.213 20 0 GGADHM COc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821882634 599425958 /nfs/dbraw/zinc/42/59/58/599425958.db2.gz GJTHQLLVTGMDTM-AWEZNQCLSA-N -1 3 394.479 3.213 20 0 GGADHM COc1ccc(CNc2ccnn2Cc2ccc(C)s2)cc1-c1nnn[n-]1 ZINC000821825345 599426264 /nfs/dbraw/zinc/42/62/64/599426264.db2.gz XOCNKXLGUFWDJP-UHFFFAOYSA-N -1 3 381.465 3.102 20 0 GGADHM COc1ccc(CNc2ccnn2Cc2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000821825345 599426266 /nfs/dbraw/zinc/42/62/66/599426266.db2.gz XOCNKXLGUFWDJP-UHFFFAOYSA-N -1 3 381.465 3.102 20 0 GGADHM CC(C)COC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000820102948 599430033 /nfs/dbraw/zinc/43/00/33/599430033.db2.gz MOBJPYFFPSHHCX-WMLDXEAASA-N -1 3 398.467 3.234 20 0 GGADHM CC(C)COC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000820102948 599430034 /nfs/dbraw/zinc/43/00/34/599430034.db2.gz MOBJPYFFPSHHCX-WMLDXEAASA-N -1 3 398.467 3.234 20 0 GGADHM C[C@@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000824051911 607377417 /nfs/dbraw/zinc/37/74/17/607377417.db2.gz IDEDIOJXBRQPTP-SECBINFHSA-N -1 3 376.825 3.111 20 0 GGADHM C[C@@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000824051911 607377419 /nfs/dbraw/zinc/37/74/19/607377419.db2.gz IDEDIOJXBRQPTP-SECBINFHSA-N -1 3 376.825 3.111 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccccc2OC)o1 ZINC000821751762 607377534 /nfs/dbraw/zinc/37/75/34/607377534.db2.gz BOWJDDCKCLAKIB-UHFFFAOYSA-N -1 3 396.432 3.226 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccccc2OC)o1 ZINC000821751762 607377536 /nfs/dbraw/zinc/37/75/36/607377536.db2.gz BOWJDDCKCLAKIB-UHFFFAOYSA-N -1 3 396.432 3.226 20 0 GGADHM Cc1ccc(OCCCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822262526 599431482 /nfs/dbraw/zinc/43/14/82/599431482.db2.gz AOOLKUQIBUDGAT-OAHLLOKOSA-N -1 3 380.452 3.004 20 0 GGADHM Cc1ccc(OCCCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822262526 599431485 /nfs/dbraw/zinc/43/14/85/599431485.db2.gz AOOLKUQIBUDGAT-OAHLLOKOSA-N -1 3 380.452 3.004 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCCc2ccccc21 ZINC000823210932 599432014 /nfs/dbraw/zinc/43/20/14/599432014.db2.gz HVEXNONBJHRTAZ-LJQANCHMSA-N -1 3 392.463 3.012 20 0 GGADHM CC[C@@H](C)Oc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825074661 607378030 /nfs/dbraw/zinc/37/80/30/607378030.db2.gz JGMZKZAVHGIEAJ-CYBMUJFWSA-N -1 3 380.404 3.084 20 0 GGADHM CC[C@@H](C)Oc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825074661 607378032 /nfs/dbraw/zinc/37/80/32/607378032.db2.gz JGMZKZAVHGIEAJ-CYBMUJFWSA-N -1 3 380.404 3.084 20 0 GGADHM Cc1ccccc1OCCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822366511 599437388 /nfs/dbraw/zinc/43/73/88/599437388.db2.gz KVYBYTOGAFMLGQ-OAHLLOKOSA-N -1 3 380.452 3.004 20 0 GGADHM Cc1ccccc1OCCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822366511 599437390 /nfs/dbraw/zinc/43/73/90/599437390.db2.gz KVYBYTOGAFMLGQ-OAHLLOKOSA-N -1 3 380.452 3.004 20 0 GGADHM COc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1-c1nnn[n-]1 ZINC000821825022 599440084 /nfs/dbraw/zinc/44/00/84/599440084.db2.gz SPNRQNJSNHNJOI-QGZVFWFLSA-N -1 3 381.436 3.045 20 0 GGADHM COc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1-c1nn[n-]n1 ZINC000821825022 599440088 /nfs/dbraw/zinc/44/00/88/599440088.db2.gz SPNRQNJSNHNJOI-QGZVFWFLSA-N -1 3 381.436 3.045 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1sc(C)nc1C ZINC000821104354 599450876 /nfs/dbraw/zinc/45/08/76/599450876.db2.gz AAYIDVSZXYAIHO-UHFFFAOYSA-N -1 3 385.497 3.062 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1sc(C)nc1C ZINC000821104354 599450879 /nfs/dbraw/zinc/45/08/79/599450879.db2.gz AAYIDVSZXYAIHO-UHFFFAOYSA-N -1 3 385.497 3.062 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823210763 599455077 /nfs/dbraw/zinc/45/50/77/599455077.db2.gz DHXHZMVTAGNVQM-IBGZPJMESA-N -1 3 392.463 3.086 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CCc1cccn1C ZINC000821104764 599455731 /nfs/dbraw/zinc/45/57/31/599455731.db2.gz POVWIRQUDVNCAK-INIZCTEOSA-N -1 3 395.511 3.148 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CCc1cccn1C ZINC000821104764 599455733 /nfs/dbraw/zinc/45/57/33/599455733.db2.gz POVWIRQUDVNCAK-INIZCTEOSA-N -1 3 395.511 3.148 20 0 GGADHM CSCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737181656 599456303 /nfs/dbraw/zinc/45/63/03/599456303.db2.gz MOCQLDBPQVOARB-CQSZACIVSA-N -1 3 376.530 3.176 20 0 GGADHM CSCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737181656 599456306 /nfs/dbraw/zinc/45/63/06/599456306.db2.gz MOCQLDBPQVOARB-CQSZACIVSA-N -1 3 376.530 3.176 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821872727 599456729 /nfs/dbraw/zinc/45/67/29/599456729.db2.gz OKPDPKNTQBTSLF-VXGBXAGGSA-N -1 3 384.415 3.136 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821872727 599456731 /nfs/dbraw/zinc/45/67/31/599456731.db2.gz OKPDPKNTQBTSLF-VXGBXAGGSA-N -1 3 384.415 3.136 20 0 GGADHM CC(C)[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC000820026993 599459865 /nfs/dbraw/zinc/45/98/65/599459865.db2.gz OUIHRJZVTBAIEB-KRWDZBQOSA-N -1 3 386.406 3.341 20 0 GGADHM CC(C)[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1 ZINC000820026993 599459869 /nfs/dbraw/zinc/45/98/69/599459869.db2.gz OUIHRJZVTBAIEB-KRWDZBQOSA-N -1 3 386.406 3.341 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823232957 599461867 /nfs/dbraw/zinc/46/18/67/599461867.db2.gz BMXLBVQHQKXICC-MRXNPFEDSA-N -1 3 394.454 3.485 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823232957 599461870 /nfs/dbraw/zinc/46/18/70/599461870.db2.gz BMXLBVQHQKXICC-MRXNPFEDSA-N -1 3 394.454 3.485 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CC=C(c2ccc(F)cc2)CC1 ZINC000823235551 599462753 /nfs/dbraw/zinc/46/27/53/599462753.db2.gz WYWCJPSXXWKELS-UHFFFAOYSA-N -1 3 396.401 3.144 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CC=C(c2ccc(F)cc2)CC1 ZINC000823235551 599462756 /nfs/dbraw/zinc/46/27/56/599462756.db2.gz WYWCJPSXXWKELS-UHFFFAOYSA-N -1 3 396.401 3.144 20 0 GGADHM CS[C@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821956302 607380550 /nfs/dbraw/zinc/38/05/50/607380550.db2.gz LVAKFXSSRHCGEB-ZDUSSCGKSA-N -1 3 377.518 3.173 20 0 GGADHM CS[C@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821956302 607380552 /nfs/dbraw/zinc/38/05/52/607380552.db2.gz LVAKFXSSRHCGEB-ZDUSSCGKSA-N -1 3 377.518 3.173 20 0 GGADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)ccc1F ZINC000820919494 599463503 /nfs/dbraw/zinc/46/35/03/599463503.db2.gz DJWRMYMCLZVSBH-INIZCTEOSA-N -1 3 390.369 3.235 20 0 GGADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)ccc1F ZINC000820919494 599463506 /nfs/dbraw/zinc/46/35/06/599463506.db2.gz DJWRMYMCLZVSBH-INIZCTEOSA-N -1 3 390.369 3.235 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@H](CC1CC1)c1ccccc1 ZINC000823233269 599464457 /nfs/dbraw/zinc/46/44/57/599464457.db2.gz FNCQFWFIWNJCRF-GOSISDBHSA-N -1 3 380.427 3.346 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@H](CC1CC1)c1ccccc1 ZINC000823233269 599464460 /nfs/dbraw/zinc/46/44/60/599464460.db2.gz FNCQFWFIWNJCRF-GOSISDBHSA-N -1 3 380.427 3.346 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822235180 599466814 /nfs/dbraw/zinc/46/68/14/599466814.db2.gz WOVDGDGJDVUAPF-SFHVURJKSA-N -1 3 394.454 3.231 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822235180 599466816 /nfs/dbraw/zinc/46/68/16/599466816.db2.gz WOVDGDGJDVUAPF-SFHVURJKSA-N -1 3 394.454 3.231 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736179943 599467475 /nfs/dbraw/zinc/46/74/75/599467475.db2.gz GUARNUBCQWMMGR-DZKIICNBSA-N -1 3 395.438 3.178 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736179943 599467477 /nfs/dbraw/zinc/46/74/77/599467477.db2.gz GUARNUBCQWMMGR-DZKIICNBSA-N -1 3 395.438 3.178 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000736180447 599467873 /nfs/dbraw/zinc/46/78/73/599467873.db2.gz ITUMRFBEKJLUPH-ZIAGYGMSSA-N -1 3 399.882 3.377 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000736180447 599467876 /nfs/dbraw/zinc/46/78/76/599467876.db2.gz ITUMRFBEKJLUPH-ZIAGYGMSSA-N -1 3 399.882 3.377 20 0 GGADHM C[C@@H](CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820260534 599468131 /nfs/dbraw/zinc/46/81/31/599468131.db2.gz IFDNWWFMQUVQBT-AWEZNQCLSA-N -1 3 382.493 3.189 20 0 GGADHM C[C@@H](CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820260534 599468133 /nfs/dbraw/zinc/46/81/33/599468133.db2.gz IFDNWWFMQUVQBT-AWEZNQCLSA-N -1 3 382.493 3.189 20 0 GGADHM O=C(NCCCCC1CCCC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823187236 599469713 /nfs/dbraw/zinc/46/97/13/599469713.db2.gz HHXWEDUKCXDQTF-UHFFFAOYSA-N -1 3 397.527 3.059 20 0 GGADHM O=C(NCCCCC1CCCC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823187236 599469715 /nfs/dbraw/zinc/46/97/15/599469715.db2.gz HHXWEDUKCXDQTF-UHFFFAOYSA-N -1 3 397.527 3.059 20 0 GGADHM C[C@H](CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820262249 599470667 /nfs/dbraw/zinc/47/06/67/599470667.db2.gz UBUMYBPHWGBRBC-GFCCVEGCSA-N -1 3 386.406 3.090 20 0 GGADHM C[C@H](CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820262249 599470670 /nfs/dbraw/zinc/47/06/70/599470670.db2.gz UBUMYBPHWGBRBC-GFCCVEGCSA-N -1 3 386.406 3.090 20 0 GGADHM C[C@@H](CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820262250 599470684 /nfs/dbraw/zinc/47/06/84/599470684.db2.gz UBUMYBPHWGBRBC-LBPRGKRZSA-N -1 3 386.406 3.090 20 0 GGADHM C[C@@H](CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820262250 599470687 /nfs/dbraw/zinc/47/06/87/599470687.db2.gz UBUMYBPHWGBRBC-LBPRGKRZSA-N -1 3 386.406 3.090 20 0 GGADHM FC(F)(F)c1ccc(NCCNc2c(Cl)cccc2-c2nnn[n-]2)nc1 ZINC000822729221 599472387 /nfs/dbraw/zinc/47/23/87/599472387.db2.gz WMRDSAAZVVGZRC-UHFFFAOYSA-N -1 3 383.765 3.458 20 0 GGADHM FC(F)(F)c1ccc(NCCNc2c(Cl)cccc2-c2nn[n-]n2)nc1 ZINC000822729221 599472390 /nfs/dbraw/zinc/47/23/90/599472390.db2.gz WMRDSAAZVVGZRC-UHFFFAOYSA-N -1 3 383.765 3.458 20 0 GGADHM CCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1OC ZINC000821421599 599473265 /nfs/dbraw/zinc/47/32/65/599473265.db2.gz ACLHYSZOPUUELS-UHFFFAOYSA-N -1 3 390.447 3.165 20 0 GGADHM CCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1OC ZINC000821421599 599473268 /nfs/dbraw/zinc/47/32/68/599473268.db2.gz ACLHYSZOPUUELS-UHFFFAOYSA-N -1 3 390.447 3.165 20 0 GGADHM Fc1ccc(C[C@@H]2CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)cc1 ZINC000737652573 599473336 /nfs/dbraw/zinc/47/33/36/599473336.db2.gz YFQHTCOWADMDMF-LBPRGKRZSA-N -1 3 392.360 3.489 20 0 GGADHM Fc1ccc(C[C@@H]2CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)cc1 ZINC000737652573 599473337 /nfs/dbraw/zinc/47/33/37/599473337.db2.gz YFQHTCOWADMDMF-LBPRGKRZSA-N -1 3 392.360 3.489 20 0 GGADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NCc1cccnc1OC1CCCC1 ZINC000823808550 599475159 /nfs/dbraw/zinc/47/51/59/599475159.db2.gz CCRQDASAHHUXCR-UHFFFAOYSA-N -1 3 387.447 3.165 20 0 GGADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NCc1cccnc1OC1CCCC1 ZINC000823808550 599475163 /nfs/dbraw/zinc/47/51/63/599475163.db2.gz CCRQDASAHHUXCR-UHFFFAOYSA-N -1 3 387.447 3.165 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820706285 599476486 /nfs/dbraw/zinc/47/64/86/599476486.db2.gz YLNJFNFZDGFAAY-ABAIWWIYSA-N -1 3 388.422 3.122 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820706285 599476487 /nfs/dbraw/zinc/47/64/87/599476487.db2.gz YLNJFNFZDGFAAY-ABAIWWIYSA-N -1 3 388.422 3.122 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373154 599476534 /nfs/dbraw/zinc/47/65/34/599476534.db2.gz FOIHRHOFCMMSFL-LLVKDONJSA-N -1 3 388.378 3.029 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373154 599476536 /nfs/dbraw/zinc/47/65/36/599476536.db2.gz FOIHRHOFCMMSFL-LLVKDONJSA-N -1 3 388.378 3.029 20 0 GGADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339276 599476582 /nfs/dbraw/zinc/47/65/82/599476582.db2.gz BATHCKLDMQZPAB-JTQLQIEISA-N -1 3 376.873 3.484 20 0 GGADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339276 599476584 /nfs/dbraw/zinc/47/65/84/599476584.db2.gz BATHCKLDMQZPAB-JTQLQIEISA-N -1 3 376.873 3.484 20 0 GGADHM C[C@H](NC(=O)NCCc1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364865 599477025 /nfs/dbraw/zinc/47/70/25/599477025.db2.gz FMALBQAGOYCNLN-ZDUSSCGKSA-N -1 3 376.420 3.216 20 0 GGADHM C[C@H](NC(=O)NCCc1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364865 599477028 /nfs/dbraw/zinc/47/70/28/599477028.db2.gz FMALBQAGOYCNLN-ZDUSSCGKSA-N -1 3 376.420 3.216 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(F)ccc2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351237 599477830 /nfs/dbraw/zinc/47/78/30/599477830.db2.gz NHWRKPXOQDGKEL-OLZOCXBDSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(F)ccc2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351237 599477831 /nfs/dbraw/zinc/47/78/31/599477831.db2.gz NHWRKPXOQDGKEL-OLZOCXBDSA-N -1 3 380.427 3.396 20 0 GGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360452 599478681 /nfs/dbraw/zinc/47/86/81/599478681.db2.gz YWENFNXRUSBUTR-YWZLYKJASA-N -1 3 399.458 3.412 20 0 GGADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360452 599478684 /nfs/dbraw/zinc/47/86/84/599478684.db2.gz YWENFNXRUSBUTR-YWZLYKJASA-N -1 3 399.458 3.412 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821849636 599479660 /nfs/dbraw/zinc/47/96/60/599479660.db2.gz NYTVKQYNGKUSKK-YJYMSZOUSA-N -1 3 392.463 3.313 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821849636 599479663 /nfs/dbraw/zinc/47/96/63/599479663.db2.gz NYTVKQYNGKUSKK-YJYMSZOUSA-N -1 3 392.463 3.313 20 0 GGADHM O=C(CCc1ccccc1)N1CCC(Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822982689 599481987 /nfs/dbraw/zinc/48/19/87/599481987.db2.gz GVSSJXJOPOPRCQ-UHFFFAOYSA-N -1 3 394.454 3.042 20 0 GGADHM O=C(CCc1ccccc1)N1CCC(Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822982689 599481988 /nfs/dbraw/zinc/48/19/88/599481988.db2.gz GVSSJXJOPOPRCQ-UHFFFAOYSA-N -1 3 394.454 3.042 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821889988 599482420 /nfs/dbraw/zinc/48/24/20/599482420.db2.gz IRZZNHJYPHZMHI-LSDHHAIUSA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821889988 599482422 /nfs/dbraw/zinc/48/24/22/599482422.db2.gz IRZZNHJYPHZMHI-LSDHHAIUSA-N -1 3 394.479 3.209 20 0 GGADHM CN(Cc1ccn(-c2ccccc2)n1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821615919 599485328 /nfs/dbraw/zinc/48/53/28/599485328.db2.gz UQENNLUTLZYWNS-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM CN(Cc1ccn(-c2ccccc2)n1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821615919 599485329 /nfs/dbraw/zinc/48/53/29/599485329.db2.gz UQENNLUTLZYWNS-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM Cc1cnc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000822389452 599486713 /nfs/dbraw/zinc/48/67/13/599486713.db2.gz WRYLKMXBLQEIML-NHYWBVRUSA-N -1 3 383.481 3.143 20 0 GGADHM Cc1cnc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000822389452 599486715 /nfs/dbraw/zinc/48/67/15/599486715.db2.gz WRYLKMXBLQEIML-NHYWBVRUSA-N -1 3 383.481 3.143 20 0 GGADHM CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821431309 599490059 /nfs/dbraw/zinc/49/00/59/599490059.db2.gz PFIJAIKJVHFJRX-UHFFFAOYSA-N -1 3 382.374 3.126 20 0 GGADHM CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821431309 599490060 /nfs/dbraw/zinc/49/00/60/599490060.db2.gz PFIJAIKJVHFJRX-UHFFFAOYSA-N -1 3 382.374 3.126 20 0 GGADHM C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111460 599492483 /nfs/dbraw/zinc/49/24/83/599492483.db2.gz FMYIWZFOOSOHRL-AUUYWEPGSA-N -1 3 376.464 3.248 20 0 GGADHM C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111460 599492485 /nfs/dbraw/zinc/49/24/85/599492485.db2.gz FMYIWZFOOSOHRL-AUUYWEPGSA-N -1 3 376.464 3.248 20 0 GGADHM CCC(CC)(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820881687 599494040 /nfs/dbraw/zinc/49/40/40/599494040.db2.gz CQCRREGOJGVVTM-UHFFFAOYSA-N -1 3 379.464 3.120 20 0 GGADHM Fc1cccc2c1CC[C@@H]2Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000822791950 599494263 /nfs/dbraw/zinc/49/42/63/599494263.db2.gz OGXXYVKZKYFOKP-HNNXBMFYSA-N -1 3 382.349 3.354 20 0 GGADHM Fc1cccc2c1CC[C@@H]2Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000822791950 599494265 /nfs/dbraw/zinc/49/42/65/599494265.db2.gz OGXXYVKZKYFOKP-HNNXBMFYSA-N -1 3 382.349 3.354 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CCCS1 ZINC000822211532 599495340 /nfs/dbraw/zinc/49/53/40/599495340.db2.gz CWFUOZFCUBTEKT-OAHLLOKOSA-N -1 3 382.449 3.197 20 0 GGADHM O=C(COC(=O)c1cc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415392 607381528 /nfs/dbraw/zinc/38/15/28/607381528.db2.gz DCVKSTHEWFUEAX-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM O=C(COC(=O)c1cc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415392 607381530 /nfs/dbraw/zinc/38/15/30/607381530.db2.gz DCVKSTHEWFUEAX-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820225373 607381546 /nfs/dbraw/zinc/38/15/46/607381546.db2.gz HPMRITXQHNFNSV-OAHLLOKOSA-N -1 3 391.479 3.296 20 0 GGADHM C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328953 599498908 /nfs/dbraw/zinc/49/89/08/599498908.db2.gz SRDJZEFEKWOEFB-AWEZNQCLSA-N -1 3 388.431 3.332 20 0 GGADHM C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328953 599498910 /nfs/dbraw/zinc/49/89/10/599498910.db2.gz SRDJZEFEKWOEFB-AWEZNQCLSA-N -1 3 388.431 3.332 20 0 GGADHM C[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820335385 599499056 /nfs/dbraw/zinc/49/90/56/599499056.db2.gz XNDAIBNBVFHZGS-LBPRGKRZSA-N -1 3 380.839 3.352 20 0 GGADHM C[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820335385 599499058 /nfs/dbraw/zinc/49/90/58/599499058.db2.gz XNDAIBNBVFHZGS-LBPRGKRZSA-N -1 3 380.839 3.352 20 0 GGADHM C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396941 599499580 /nfs/dbraw/zinc/49/95/80/599499580.db2.gz JWEDTJDHZXYJHH-NSHDSACASA-N -1 3 391.353 3.299 20 0 GGADHM C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396941 599499582 /nfs/dbraw/zinc/49/95/82/599499582.db2.gz JWEDTJDHZXYJHH-NSHDSACASA-N -1 3 391.353 3.299 20 0 GGADHM C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396940 599499881 /nfs/dbraw/zinc/49/98/81/599499881.db2.gz JWEDTJDHZXYJHH-LLVKDONJSA-N -1 3 391.353 3.299 20 0 GGADHM C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396940 599499885 /nfs/dbraw/zinc/49/98/85/599499885.db2.gz JWEDTJDHZXYJHH-LLVKDONJSA-N -1 3 391.353 3.299 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2nc1C ZINC000822458908 599500485 /nfs/dbraw/zinc/50/04/85/599500485.db2.gz INLCELOKSORFTF-LBPRGKRZSA-N -1 3 391.410 3.057 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2nc1C ZINC000822458908 599500486 /nfs/dbraw/zinc/50/04/86/599500486.db2.gz INLCELOKSORFTF-LBPRGKRZSA-N -1 3 391.410 3.057 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737064095 599501490 /nfs/dbraw/zinc/50/14/90/599501490.db2.gz UDPFGPNMDJVUJU-AWEZNQCLSA-N -1 3 396.426 3.111 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737064095 599501493 /nfs/dbraw/zinc/50/14/93/599501493.db2.gz UDPFGPNMDJVUJU-AWEZNQCLSA-N -1 3 396.426 3.111 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328201 599502050 /nfs/dbraw/zinc/50/20/50/599502050.db2.gz NRLZOWFTOWNEOD-GFCCVEGCSA-N -1 3 387.390 3.278 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328201 599502051 /nfs/dbraw/zinc/50/20/51/599502051.db2.gz NRLZOWFTOWNEOD-GFCCVEGCSA-N -1 3 387.390 3.278 20 0 GGADHM C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000820832425 599502669 /nfs/dbraw/zinc/50/26/69/599502669.db2.gz JXJQXRAJDSSSHF-YVZNUBBCSA-N -1 3 393.447 3.165 20 0 GGADHM C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000820832425 599502672 /nfs/dbraw/zinc/50/26/72/599502672.db2.gz JXJQXRAJDSSSHF-YVZNUBBCSA-N -1 3 393.447 3.165 20 0 GGADHM C[C@@H](NC(=O)c1c2c(nc3ccccc31)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820384858 599504334 /nfs/dbraw/zinc/50/43/34/599504334.db2.gz MCAASEANYDVYLC-CYBMUJFWSA-N -1 3 384.443 3.395 20 0 GGADHM C[C@@H](NC(=O)c1c2c(nc3ccccc31)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820384858 599504337 /nfs/dbraw/zinc/50/43/37/599504337.db2.gz MCAASEANYDVYLC-CYBMUJFWSA-N -1 3 384.443 3.395 20 0 GGADHM CC(C)(C)OC(=O)NCC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000819939389 599506996 /nfs/dbraw/zinc/50/69/96/599506996.db2.gz ALPBGVKNPQAMLL-UHFFFAOYSA-N -1 3 392.891 3.261 20 0 GGADHM CC(C)(C)OC(=O)NCC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000819939389 599506999 /nfs/dbraw/zinc/50/69/99/599506999.db2.gz ALPBGVKNPQAMLL-UHFFFAOYSA-N -1 3 392.891 3.261 20 0 GGADHM CCCOc1ccc(CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821133807 599507039 /nfs/dbraw/zinc/50/70/39/599507039.db2.gz FONWIAANUAYLJH-OAHLLOKOSA-N -1 3 379.464 3.466 20 0 GGADHM CCCOc1ccc(CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821133807 599507041 /nfs/dbraw/zinc/50/70/41/599507041.db2.gz FONWIAANUAYLJH-OAHLLOKOSA-N -1 3 379.464 3.466 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397048 599509637 /nfs/dbraw/zinc/50/96/37/599509637.db2.gz KYGPRLISBUYLDH-VIFPVBQESA-N -1 3 390.216 3.259 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397048 599509638 /nfs/dbraw/zinc/50/96/38/599509638.db2.gz KYGPRLISBUYLDH-VIFPVBQESA-N -1 3 390.216 3.259 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC(c2cn[nH]c2)CC1 ZINC000822775184 599513499 /nfs/dbraw/zinc/51/34/99/599513499.db2.gz SQMYZJKMILZBGM-UHFFFAOYSA-N -1 3 398.833 3.315 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC(c2cn[nH]c2)CC1 ZINC000822775184 599513501 /nfs/dbraw/zinc/51/35/01/599513501.db2.gz SQMYZJKMILZBGM-UHFFFAOYSA-N -1 3 398.833 3.315 20 0 GGADHM COc1ccccc1OCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737150972 599518483 /nfs/dbraw/zinc/51/84/83/599518483.db2.gz CTADQVBTZOWCHM-UHFFFAOYSA-N -1 3 379.342 3.385 20 0 GGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1cccc(C)c1 ZINC000822284747 599518650 /nfs/dbraw/zinc/51/86/50/599518650.db2.gz YLDWZUWGFSFCST-AWEZNQCLSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1cccc(C)c1 ZINC000822284747 599518651 /nfs/dbraw/zinc/51/86/51/599518651.db2.gz YLDWZUWGFSFCST-AWEZNQCLSA-N -1 3 387.447 3.160 20 0 GGADHM C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404544 599521635 /nfs/dbraw/zinc/52/16/35/599521635.db2.gz XMIACZACOQYTQY-CQSZACIVSA-N -1 3 399.458 3.421 20 0 GGADHM C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404544 599521638 /nfs/dbraw/zinc/52/16/38/599521638.db2.gz XMIACZACOQYTQY-CQSZACIVSA-N -1 3 399.458 3.421 20 0 GGADHM O=C1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CN1c1ccccc1 ZINC000738302389 599523495 /nfs/dbraw/zinc/52/34/95/599523495.db2.gz VJRKCURXULFWKH-LBPRGKRZSA-N -1 3 388.353 3.103 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000736417481 599524462 /nfs/dbraw/zinc/52/44/62/599524462.db2.gz TUFCYSBEUNEISU-GFCCVEGCSA-N -1 3 396.417 3.018 20 0 GGADHM C[C@@H](NC(=O)c1sccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820403086 599526378 /nfs/dbraw/zinc/52/63/78/599526378.db2.gz HIQKIXZNZFEDFD-MRVPVSSYSA-N -1 3 378.255 3.182 20 0 GGADHM C[C@@H](NC(=O)c1sccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820403086 599526380 /nfs/dbraw/zinc/52/63/80/599526380.db2.gz HIQKIXZNZFEDFD-MRVPVSSYSA-N -1 3 378.255 3.182 20 0 GGADHM Cc1csc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822414901 599532655 /nfs/dbraw/zinc/53/26/55/599532655.db2.gz ZQCUKWXNDCOBFP-NSHDSACASA-N -1 3 375.889 3.000 20 0 GGADHM Cc1csc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822414901 599532656 /nfs/dbraw/zinc/53/26/56/599532656.db2.gz ZQCUKWXNDCOBFP-NSHDSACASA-N -1 3 375.889 3.000 20 0 GGADHM Cc1ccc2oc(N3CCN(c4c(Cl)cccc4-c4nnn[n-]4)CC3)nc2c1 ZINC000822283722 599532724 /nfs/dbraw/zinc/53/27/24/599532724.db2.gz BHARXDRCUAYGQL-UHFFFAOYSA-N -1 3 395.854 3.296 20 0 GGADHM Cc1ccc2oc(N3CCN(c4c(Cl)cccc4-c4nn[n-]n4)CC3)nc2c1 ZINC000822283722 599532725 /nfs/dbraw/zinc/53/27/25/599532725.db2.gz BHARXDRCUAYGQL-UHFFFAOYSA-N -1 3 395.854 3.296 20 0 GGADHM Cc1ccoc1C(=O)NCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737443896 599533338 /nfs/dbraw/zinc/53/33/38/599533338.db2.gz XTYJAFPHCFGNGW-UHFFFAOYSA-N -1 3 394.357 3.019 20 0 GGADHM Cc1ccoc1C(=O)NCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737443896 599533339 /nfs/dbraw/zinc/53/33/39/599533339.db2.gz XTYJAFPHCFGNGW-UHFFFAOYSA-N -1 3 394.357 3.019 20 0 GGADHM CCOc1ccc(OC(C)(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821426702 599534656 /nfs/dbraw/zinc/53/46/56/599534656.db2.gz GQWBELLONXXIAY-CQSZACIVSA-N -1 3 395.463 3.300 20 0 GGADHM CCOc1ccc(OC(C)(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821426702 599534658 /nfs/dbraw/zinc/53/46/58/599534658.db2.gz GQWBELLONXXIAY-CQSZACIVSA-N -1 3 395.463 3.300 20 0 GGADHM Cc1cc(N2CCC[C@H](Nc3cc(Cl)ccc3-c3nn[n-]n3)C2)nc(C)n1 ZINC000822207356 599534838 /nfs/dbraw/zinc/53/48/38/599534838.db2.gz SWLLGNFDEFJVOZ-AWEZNQCLSA-N -1 3 384.875 3.008 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822242656 599537876 /nfs/dbraw/zinc/53/78/76/599537876.db2.gz SODPILDOWOYELK-OAHLLOKOSA-N -1 3 376.464 3.266 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822242656 599537879 /nfs/dbraw/zinc/53/78/79/599537879.db2.gz SODPILDOWOYELK-OAHLLOKOSA-N -1 3 376.464 3.266 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1csc(-c2ccoc2)n1 ZINC000736628572 599539481 /nfs/dbraw/zinc/53/94/81/599539481.db2.gz POTQBYLVLVGONB-UHFFFAOYSA-N -1 3 397.416 3.130 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1csc(-c2ccoc2)n1 ZINC000736628572 599539484 /nfs/dbraw/zinc/53/94/84/599539484.db2.gz POTQBYLVLVGONB-UHFFFAOYSA-N -1 3 397.416 3.130 20 0 GGADHM Cc1cnn([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)C2)c1 ZINC000822403642 599539923 /nfs/dbraw/zinc/53/99/23/599539923.db2.gz RJRSOSDSAZWNIU-CYBMUJFWSA-N -1 3 377.374 3.232 20 0 GGADHM COc1ccc(CCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821790269 599540087 /nfs/dbraw/zinc/54/00/87/599540087.db2.gz LSZAYAWDRZHWGF-LBPRGKRZSA-N -1 3 385.855 3.339 20 0 GGADHM COc1ccc(CCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821790269 599540090 /nfs/dbraw/zinc/54/00/90/599540090.db2.gz LSZAYAWDRZHWGF-LBPRGKRZSA-N -1 3 385.855 3.339 20 0 GGADHM Cc1cnn([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)c1 ZINC000822403791 599540205 /nfs/dbraw/zinc/54/02/05/599540205.db2.gz UZCVXSPMTQJUSO-CYBMUJFWSA-N -1 3 377.374 3.232 20 0 GGADHM Cc1cnn([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)c1 ZINC000822403791 599540206 /nfs/dbraw/zinc/54/02/06/599540206.db2.gz UZCVXSPMTQJUSO-CYBMUJFWSA-N -1 3 377.374 3.232 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822535314 599541005 /nfs/dbraw/zinc/54/10/05/599541005.db2.gz NADCTCCCDVWPMI-CYBMUJFWSA-N -1 3 388.431 3.250 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822535314 599541008 /nfs/dbraw/zinc/54/10/08/599541008.db2.gz NADCTCCCDVWPMI-CYBMUJFWSA-N -1 3 388.431 3.250 20 0 GGADHM C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328250 599541364 /nfs/dbraw/zinc/54/13/64/599541364.db2.gz OHKIEVJXWNAROD-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328250 599541366 /nfs/dbraw/zinc/54/13/66/599541366.db2.gz OHKIEVJXWNAROD-SNVBAGLBSA-N -1 3 392.246 3.430 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736055930 599541399 /nfs/dbraw/zinc/54/13/99/599541399.db2.gz JRHWIKZJABOCCY-GFCCVEGCSA-N -1 3 389.381 3.381 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736055930 599541400 /nfs/dbraw/zinc/54/14/00/599541400.db2.gz JRHWIKZJABOCCY-GFCCVEGCSA-N -1 3 389.381 3.381 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCN(c4ccccc4)C3)c2c1 ZINC000822195313 599542288 /nfs/dbraw/zinc/54/22/88/599542288.db2.gz OHWAAOSBPVVSHE-INIZCTEOSA-N -1 3 385.475 3.144 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCN(c4ccccc4)C3)c2c1 ZINC000822195313 599542290 /nfs/dbraw/zinc/54/22/90/599542290.db2.gz OHWAAOSBPVVSHE-INIZCTEOSA-N -1 3 385.475 3.144 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821889681 599542722 /nfs/dbraw/zinc/54/27/22/599542722.db2.gz DOBKVAZKOFQZKK-AWEZNQCLSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821889681 599542724 /nfs/dbraw/zinc/54/27/24/599542724.db2.gz DOBKVAZKOFQZKK-AWEZNQCLSA-N -1 3 379.464 3.321 20 0 GGADHM Cc1ccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000822231799 599543750 /nfs/dbraw/zinc/54/37/50/599543750.db2.gz HUUGPUMPNUOCFK-INIZCTEOSA-N -1 3 391.475 3.101 20 0 GGADHM Cc1ccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCOCC2)cc1 ZINC000822231799 599543752 /nfs/dbraw/zinc/54/37/52/599543752.db2.gz HUUGPUMPNUOCFK-INIZCTEOSA-N -1 3 391.475 3.101 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334598 599544621 /nfs/dbraw/zinc/54/46/21/599544621.db2.gz OQNWJZHVXBMCQA-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334598 599544622 /nfs/dbraw/zinc/54/46/22/599544622.db2.gz OQNWJZHVXBMCQA-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000736183326 599546029 /nfs/dbraw/zinc/54/60/29/599546029.db2.gz JZTZBNVNYISCOH-KVSKMBFKSA-N -1 3 391.475 3.162 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000736183326 599546031 /nfs/dbraw/zinc/54/60/31/599546031.db2.gz JZTZBNVNYISCOH-KVSKMBFKSA-N -1 3 391.475 3.162 20 0 GGADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000820683828 599546883 /nfs/dbraw/zinc/54/68/83/599546883.db2.gz HWEJMKGDNQSDPE-KGLIPLIRSA-N -1 3 378.436 3.315 20 0 GGADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000820683828 599546887 /nfs/dbraw/zinc/54/68/87/599546887.db2.gz HWEJMKGDNQSDPE-KGLIPLIRSA-N -1 3 378.436 3.315 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCC(C)CC1 ZINC000736278279 599547133 /nfs/dbraw/zinc/54/71/33/599547133.db2.gz QVUDEBWIFPTRRU-ZDUSSCGKSA-N -1 3 388.541 3.256 20 0 GGADHM Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252364 607383482 /nfs/dbraw/zinc/38/34/82/607383482.db2.gz AIRKZFJLTSBNHF-UHFFFAOYSA-N -1 3 375.388 3.496 20 0 GGADHM Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252364 607383483 /nfs/dbraw/zinc/38/34/83/607383483.db2.gz AIRKZFJLTSBNHF-UHFFFAOYSA-N -1 3 375.388 3.496 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000737420531 599548810 /nfs/dbraw/zinc/54/88/10/599548810.db2.gz JPIAREGMASOZJX-IXDOHACOSA-N -1 3 391.475 3.347 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000737420531 599548812 /nfs/dbraw/zinc/54/88/12/599548812.db2.gz JPIAREGMASOZJX-IXDOHACOSA-N -1 3 391.475 3.347 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000820635221 599549607 /nfs/dbraw/zinc/54/96/07/599549607.db2.gz KMAUVOGHIODMPY-MGPUTAFESA-N -1 3 379.468 3.275 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000820635221 599549609 /nfs/dbraw/zinc/54/96/09/599549609.db2.gz KMAUVOGHIODMPY-MGPUTAFESA-N -1 3 379.468 3.275 20 0 GGADHM Fc1ccc(N2CCC(CN3CCc4ccccc43)CC2)c(-c2nnn[n-]2)c1 ZINC000822779526 599551432 /nfs/dbraw/zinc/55/14/32/599551432.db2.gz VSXVPPVSGREHAC-UHFFFAOYSA-N -1 3 378.455 3.285 20 0 GGADHM Fc1ccc(N2CCC(CN3CCc4ccccc43)CC2)c(-c2nn[n-]n2)c1 ZINC000822779526 599551433 /nfs/dbraw/zinc/55/14/33/599551433.db2.gz VSXVPPVSGREHAC-UHFFFAOYSA-N -1 3 378.455 3.285 20 0 GGADHM Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737333437 599553557 /nfs/dbraw/zinc/55/35/57/599553557.db2.gz BGSTUJNSYSKAED-JKSUJKDBSA-N -1 3 379.464 3.032 20 0 GGADHM Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737333437 599553558 /nfs/dbraw/zinc/55/35/58/599553558.db2.gz BGSTUJNSYSKAED-JKSUJKDBSA-N -1 3 379.464 3.032 20 0 GGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334648 599553616 /nfs/dbraw/zinc/55/36/16/599553616.db2.gz KJFYPKJCOFEFGM-MRXNPFEDSA-N -1 3 395.532 3.498 20 0 GGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334648 599553618 /nfs/dbraw/zinc/55/36/18/599553618.db2.gz KJFYPKJCOFEFGM-MRXNPFEDSA-N -1 3 395.532 3.498 20 0 GGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736300637 599554317 /nfs/dbraw/zinc/55/43/17/599554317.db2.gz CMFAZNWAAGUCKJ-LBPRGKRZSA-N -1 3 383.452 3.244 20 0 GGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736300637 599554318 /nfs/dbraw/zinc/55/43/18/599554318.db2.gz CMFAZNWAAGUCKJ-LBPRGKRZSA-N -1 3 383.452 3.244 20 0 GGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736304967 599555948 /nfs/dbraw/zinc/55/59/48/599555948.db2.gz WMAOZOCPJKPQEG-LBPRGKRZSA-N -1 3 383.452 3.244 20 0 GGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736304967 599555952 /nfs/dbraw/zinc/55/59/52/599555952.db2.gz WMAOZOCPJKPQEG-LBPRGKRZSA-N -1 3 383.452 3.244 20 0 GGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736303954 599555967 /nfs/dbraw/zinc/55/59/67/599555967.db2.gz URVQJGAWHMAWKI-ZDUSSCGKSA-N -1 3 397.479 3.385 20 0 GGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736303954 599555970 /nfs/dbraw/zinc/55/59/70/599555970.db2.gz URVQJGAWHMAWKI-ZDUSSCGKSA-N -1 3 397.479 3.385 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000821346782 599557899 /nfs/dbraw/zinc/55/78/99/599557899.db2.gz PRXJAFHPHPSTJS-QMMMGPOBSA-N -1 3 378.845 3.326 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000821346782 599557901 /nfs/dbraw/zinc/55/79/01/599557901.db2.gz PRXJAFHPHPSTJS-QMMMGPOBSA-N -1 3 378.845 3.326 20 0 GGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822472687 599562203 /nfs/dbraw/zinc/56/22/03/599562203.db2.gz WVCUUKWOLRDUPC-KRWDZBQOSA-N -1 3 392.854 3.078 20 0 GGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822472687 599562207 /nfs/dbraw/zinc/56/22/07/599562207.db2.gz WVCUUKWOLRDUPC-KRWDZBQOSA-N -1 3 392.854 3.078 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820556567 599563580 /nfs/dbraw/zinc/56/35/80/599563580.db2.gz UKELMSPGIBEIFZ-NSHDSACASA-N -1 3 397.389 3.388 20 0 GGADHM C[C@@H](c1cc(F)ccc1F)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820556567 599563582 /nfs/dbraw/zinc/56/35/82/599563582.db2.gz UKELMSPGIBEIFZ-NSHDSACASA-N -1 3 397.389 3.388 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000822337546 599564789 /nfs/dbraw/zinc/56/47/89/599564789.db2.gz YDNTXRPJJHRDEF-LIRRHRJNSA-N -1 3 380.496 3.398 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000822337546 599564791 /nfs/dbraw/zinc/56/47/91/599564791.db2.gz YDNTXRPJJHRDEF-LIRRHRJNSA-N -1 3 380.496 3.398 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000822337545 599564836 /nfs/dbraw/zinc/56/48/36/599564836.db2.gz YDNTXRPJJHRDEF-KUHUBIRLSA-N -1 3 380.496 3.398 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000822337545 599564838 /nfs/dbraw/zinc/56/48/38/599564838.db2.gz YDNTXRPJJHRDEF-KUHUBIRLSA-N -1 3 380.496 3.398 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000822337543 599565074 /nfs/dbraw/zinc/56/50/74/599565074.db2.gz YDNTXRPJJHRDEF-AUUYWEPGSA-N -1 3 380.496 3.398 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000822337543 599565076 /nfs/dbraw/zinc/56/50/76/599565076.db2.gz YDNTXRPJJHRDEF-AUUYWEPGSA-N -1 3 380.496 3.398 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000822729040 607384160 /nfs/dbraw/zinc/38/41/60/607384160.db2.gz ROFULEPZTDURGC-VIFPVBQESA-N -1 3 381.387 3.121 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000822729040 607384162 /nfs/dbraw/zinc/38/41/62/607384162.db2.gz ROFULEPZTDURGC-VIFPVBQESA-N -1 3 381.387 3.121 20 0 GGADHM O=C(N[C@@H]1COc2ccccc21)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738037432 599567884 /nfs/dbraw/zinc/56/78/84/599567884.db2.gz VEOFTUHGGGRVCR-LJQANCHMSA-N -1 3 398.426 3.474 20 0 GGADHM O=C(NCCNc1ccccc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738077248 599570610 /nfs/dbraw/zinc/57/06/10/599570610.db2.gz DWCCIBQLTLIWNB-UHFFFAOYSA-N -1 3 399.458 3.452 20 0 GGADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1c(F)cccc1F ZINC000821230127 599570981 /nfs/dbraw/zinc/57/09/81/599570981.db2.gz CJNBCRZTWZUVTR-UHFFFAOYSA-N -1 3 397.389 3.217 20 0 GGADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1c(F)cccc1F ZINC000821230127 599570983 /nfs/dbraw/zinc/57/09/83/599570983.db2.gz CJNBCRZTWZUVTR-UHFFFAOYSA-N -1 3 397.389 3.217 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(F)cc1Cl ZINC000821618165 599574268 /nfs/dbraw/zinc/57/42/68/599574268.db2.gz SYDZWYVNGWNDQY-UHFFFAOYSA-N -1 3 399.817 3.341 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccc(F)cc1Cl ZINC000821618165 599574270 /nfs/dbraw/zinc/57/42/70/599574270.db2.gz SYDZWYVNGWNDQY-UHFFFAOYSA-N -1 3 399.817 3.341 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(Br)cs1 ZINC000826251969 607384521 /nfs/dbraw/zinc/38/45/21/607384521.db2.gz IUNCERNKVUGLJL-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(Br)cs1 ZINC000826251969 607384522 /nfs/dbraw/zinc/38/45/22/607384522.db2.gz IUNCERNKVUGLJL-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM C[C@H]1c2ccc(F)cc2CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820827244 599576142 /nfs/dbraw/zinc/57/61/42/599576142.db2.gz QVUQIXKWADITKQ-LBPRGKRZSA-N -1 3 391.410 3.175 20 0 GGADHM C[C@H]1c2ccc(F)cc2CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820827244 599576146 /nfs/dbraw/zinc/57/61/46/599576146.db2.gz QVUQIXKWADITKQ-LBPRGKRZSA-N -1 3 391.410 3.175 20 0 GGADHM Cc1cc([C@@](C)(O)CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c(C)o1 ZINC000822190967 599576662 /nfs/dbraw/zinc/57/66/62/599576662.db2.gz CWYVXWDUAUVVSW-IBGZPJMESA-N -1 3 398.854 3.020 20 0 GGADHM Cc1cc([C@@](C)(O)CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c(C)o1 ZINC000822190967 599576665 /nfs/dbraw/zinc/57/66/65/599576665.db2.gz CWYVXWDUAUVVSW-IBGZPJMESA-N -1 3 398.854 3.020 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC2(CCCC2)CC1 ZINC000735733622 599576732 /nfs/dbraw/zinc/57/67/32/599576732.db2.gz HPSZWWYMJQDXLV-GOSISDBHSA-N -1 3 383.496 3.453 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC2(CCCC2)CC1 ZINC000735733622 599576735 /nfs/dbraw/zinc/57/67/35/599576735.db2.gz HPSZWWYMJQDXLV-GOSISDBHSA-N -1 3 383.496 3.453 20 0 GGADHM Cc1cc([C@](C)(O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)o1 ZINC000822191468 599577110 /nfs/dbraw/zinc/57/71/10/599577110.db2.gz JMUZGQJTAUDUSI-MRXNPFEDSA-N -1 3 381.358 3.415 20 0 GGADHM Cc1cc([C@](C)(O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)o1 ZINC000822191468 599577113 /nfs/dbraw/zinc/57/71/13/599577113.db2.gz JMUZGQJTAUDUSI-MRXNPFEDSA-N -1 3 381.358 3.415 20 0 GGADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736819081 599584826 /nfs/dbraw/zinc/58/48/26/599584826.db2.gz HPHMKOKDRCMKGO-IBGZPJMESA-N -1 3 395.417 3.100 20 0 GGADHM COc1ccc(C[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000821789983 599591009 /nfs/dbraw/zinc/59/10/09/599591009.db2.gz CVXGZOHRNDKCIV-CQSZACIVSA-N -1 3 384.871 3.383 20 0 GGADHM COc1ccc(C[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000821789983 599591011 /nfs/dbraw/zinc/59/10/11/599591011.db2.gz CVXGZOHRNDKCIV-CQSZACIVSA-N -1 3 384.871 3.383 20 0 GGADHM C[C@@H]1c2c(F)cccc2CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736303140 599591647 /nfs/dbraw/zinc/59/16/47/599591647.db2.gz RYBBDHPHTOVJTI-LLVKDONJSA-N -1 3 386.456 3.015 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)[C@@H](c2ccco2)C1 ZINC000820726900 599594291 /nfs/dbraw/zinc/59/42/91/599594291.db2.gz CRWSWKYWUGYXMV-CZUORRHYSA-N -1 3 391.435 3.483 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)[C@@H](c2ccco2)C1 ZINC000820726900 599594292 /nfs/dbraw/zinc/59/42/92/599594292.db2.gz CRWSWKYWUGYXMV-CZUORRHYSA-N -1 3 391.435 3.483 20 0 GGADHM Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000737333102 599594686 /nfs/dbraw/zinc/59/46/86/599594686.db2.gz ZUPNGOFSDRRADF-CQSZACIVSA-N -1 3 386.481 3.385 20 0 GGADHM Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000737333102 599594687 /nfs/dbraw/zinc/59/46/87/599594687.db2.gz ZUPNGOFSDRRADF-CQSZACIVSA-N -1 3 386.481 3.385 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000826251113 607385947 /nfs/dbraw/zinc/38/59/47/607385947.db2.gz FOTQFMGDYFUAKN-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000826251113 607385949 /nfs/dbraw/zinc/38/59/49/607385949.db2.gz FOTQFMGDYFUAKN-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738100596 599601722 /nfs/dbraw/zinc/60/17/22/599601722.db2.gz AGDNGMGNVGAZKM-OALUTQOASA-N -1 3 376.464 3.077 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738100596 599601723 /nfs/dbraw/zinc/60/17/23/599601723.db2.gz AGDNGMGNVGAZKM-OALUTQOASA-N -1 3 376.464 3.077 20 0 GGADHM CCOC(=O)CCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736591383 599605566 /nfs/dbraw/zinc/60/55/66/599605566.db2.gz BYSPJKWCUCQXJP-UHFFFAOYSA-N -1 3 395.419 3.110 20 0 GGADHM O=C(Cc1csc(-c2ccoc2)n1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737977740 599609250 /nfs/dbraw/zinc/60/92/50/599609250.db2.gz JMXUDAXTVGOOLD-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM O=C(Cc1csc(-c2ccoc2)n1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737977740 599609252 /nfs/dbraw/zinc/60/92/52/599609252.db2.gz JMXUDAXTVGOOLD-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM C[C@@H](C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccsc1 ZINC000735571382 599617229 /nfs/dbraw/zinc/61/72/29/599617229.db2.gz CIBPPMZWEYQMKU-GFCCVEGCSA-N -1 3 395.444 3.202 20 0 GGADHM C[C@@H](C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccsc1 ZINC000735571382 599617231 /nfs/dbraw/zinc/61/72/31/599617231.db2.gz CIBPPMZWEYQMKU-GFCCVEGCSA-N -1 3 395.444 3.202 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1F ZINC000820050764 599620594 /nfs/dbraw/zinc/62/05/94/599620594.db2.gz GABWTHYFSQKULO-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1F ZINC000820050764 599620595 /nfs/dbraw/zinc/62/05/95/599620595.db2.gz GABWTHYFSQKULO-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM CSc1nc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccn21 ZINC000821988101 599621706 /nfs/dbraw/zinc/62/17/06/599621706.db2.gz BZOWBMQDBFHZJV-NSHDSACASA-N -1 3 380.433 3.154 20 0 GGADHM CSc1nc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccn21 ZINC000821988101 599621707 /nfs/dbraw/zinc/62/17/07/599621707.db2.gz BZOWBMQDBFHZJV-NSHDSACASA-N -1 3 380.433 3.154 20 0 GGADHM O=C(OCc1ccsc1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823440246 599626772 /nfs/dbraw/zinc/62/67/72/599626772.db2.gz JSARCCKMWNIOOP-UHFFFAOYSA-N -1 3 382.401 3.457 20 0 GGADHM O=C(OCc1ccsc1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823440246 599626773 /nfs/dbraw/zinc/62/67/73/599626773.db2.gz JSARCCKMWNIOOP-UHFFFAOYSA-N -1 3 382.401 3.457 20 0 GGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(F)(F)F ZINC000820511934 599627497 /nfs/dbraw/zinc/62/74/97/599627497.db2.gz FXQOEXQPGYMWST-SECBINFHSA-N -1 3 379.298 3.162 20 0 GGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(F)(F)F ZINC000820511934 599627498 /nfs/dbraw/zinc/62/74/98/599627498.db2.gz FXQOEXQPGYMWST-SECBINFHSA-N -1 3 379.298 3.162 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1SCCc2ccccc21 ZINC000823383612 599629041 /nfs/dbraw/zinc/62/90/41/599629041.db2.gz WFDGPBGTTLSLCJ-OAHLLOKOSA-N -1 3 383.502 3.386 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1SCCc2ccccc21 ZINC000823383612 599629042 /nfs/dbraw/zinc/62/90/42/599629042.db2.gz WFDGPBGTTLSLCJ-OAHLLOKOSA-N -1 3 383.502 3.386 20 0 GGADHM C[C@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000819877102 599629308 /nfs/dbraw/zinc/62/93/08/599629308.db2.gz OLLXFIFVHCASGK-LURJTMIESA-N -1 3 384.284 3.494 20 0 GGADHM C[C@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000819877102 599629309 /nfs/dbraw/zinc/62/93/09/599629309.db2.gz OLLXFIFVHCASGK-LURJTMIESA-N -1 3 384.284 3.494 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821570949 599630863 /nfs/dbraw/zinc/63/08/63/599630863.db2.gz SEHYGKKCRDLGAA-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821570949 599630864 /nfs/dbraw/zinc/63/08/64/599630864.db2.gz SEHYGKKCRDLGAA-UHFFFAOYSA-N -1 3 396.209 3.354 20 0 GGADHM CCOc1c(F)cccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821389302 599631199 /nfs/dbraw/zinc/63/11/99/599631199.db2.gz IQBKHYMKGNJAJL-UHFFFAOYSA-N -1 3 393.325 3.258 20 0 GGADHM CCOc1c(F)cccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821389302 599631200 /nfs/dbraw/zinc/63/12/00/599631200.db2.gz IQBKHYMKGNJAJL-UHFFFAOYSA-N -1 3 393.325 3.258 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1 ZINC000820225127 599631569 /nfs/dbraw/zinc/63/15/69/599631569.db2.gz BLUCMKBUBXGVLC-SNVBAGLBSA-N -1 3 376.342 3.413 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1 ZINC000820225127 599631570 /nfs/dbraw/zinc/63/15/70/599631570.db2.gz BLUCMKBUBXGVLC-SNVBAGLBSA-N -1 3 376.342 3.413 20 0 GGADHM COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821787688 599631880 /nfs/dbraw/zinc/63/18/80/599631880.db2.gz XYSCEYHZMVDVIM-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM COc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821787688 599631881 /nfs/dbraw/zinc/63/18/81/599631881.db2.gz XYSCEYHZMVDVIM-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM COCCN(C(=O)[C@@H](C)CCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688321 599631886 /nfs/dbraw/zinc/63/18/86/599631886.db2.gz HBKVVUZRLBJZDC-HNNXBMFYSA-N -1 3 397.454 3.254 20 0 GGADHM COCCN(C(=O)[C@@H](C)CCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688321 599631887 /nfs/dbraw/zinc/63/18/87/599631887.db2.gz HBKVVUZRLBJZDC-HNNXBMFYSA-N -1 3 397.454 3.254 20 0 GGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820549527 599632568 /nfs/dbraw/zinc/63/25/68/599632568.db2.gz OMNIUCUYSLTTOJ-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820549527 599632569 /nfs/dbraw/zinc/63/25/69/599632569.db2.gz OMNIUCUYSLTTOJ-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820703587 599633682 /nfs/dbraw/zinc/63/36/82/599633682.db2.gz IBDYGMGEDOXUMO-YGRLFVJLSA-N -1 3 383.374 3.419 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820703587 599633683 /nfs/dbraw/zinc/63/36/83/599633683.db2.gz IBDYGMGEDOXUMO-YGRLFVJLSA-N -1 3 383.374 3.419 20 0 GGADHM O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823082417 599634092 /nfs/dbraw/zinc/63/40/92/599634092.db2.gz HVXVFBWIMAYRPN-UHFFFAOYSA-N -1 3 389.337 3.002 20 0 GGADHM O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823082417 599634093 /nfs/dbraw/zinc/63/40/93/599634093.db2.gz HVXVFBWIMAYRPN-UHFFFAOYSA-N -1 3 389.337 3.002 20 0 GGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819892224 599634351 /nfs/dbraw/zinc/63/43/51/599634351.db2.gz ZTGCTHWXCGUQOJ-UHFFFAOYSA-N -1 3 383.383 3.352 20 0 GGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819892224 599634352 /nfs/dbraw/zinc/63/43/52/599634352.db2.gz ZTGCTHWXCGUQOJ-UHFFFAOYSA-N -1 3 383.383 3.352 20 0 GGADHM C[C@@]1(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCc2ccccc21 ZINC000820623346 599638512 /nfs/dbraw/zinc/63/85/12/599638512.db2.gz MVPPIUXDKQDQPH-OAQYLSRUSA-N -1 3 387.447 3.258 20 0 GGADHM C[C@@]1(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCCc2ccccc21 ZINC000820623346 599638513 /nfs/dbraw/zinc/63/85/13/599638513.db2.gz MVPPIUXDKQDQPH-OAQYLSRUSA-N -1 3 387.447 3.258 20 0 GGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820668958 599641303 /nfs/dbraw/zinc/64/13/03/599641303.db2.gz XQUROACAOUVIRG-SCLBCKFNSA-N -1 3 380.427 3.027 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000826252925 607386836 /nfs/dbraw/zinc/38/68/36/607386836.db2.gz YIKPKLZMRLUTOV-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000826252925 607386838 /nfs/dbraw/zinc/38/68/38/607386838.db2.gz YIKPKLZMRLUTOV-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1ccc([C@H]2C[C@H](C)CCN2CC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000822233564 599645515 /nfs/dbraw/zinc/64/55/15/599645515.db2.gz RIMPLTDTPUGDDM-BXUZGUMPSA-N -1 3 386.481 3.241 20 0 GGADHM Cc1ccc([C@H]2C[C@H](C)CCN2CC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000822233564 599645516 /nfs/dbraw/zinc/64/55/16/599645516.db2.gz RIMPLTDTPUGDDM-BXUZGUMPSA-N -1 3 386.481 3.241 20 0 GGADHM O=C(c1ccncc1Cl)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000823498708 599648496 /nfs/dbraw/zinc/64/84/96/599648496.db2.gz YTUOBJKPCDHGEC-UHFFFAOYSA-N -1 3 396.760 3.120 20 0 GGADHM O=C(c1ccncc1Cl)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000823498708 599648497 /nfs/dbraw/zinc/64/84/97/599648497.db2.gz YTUOBJKPCDHGEC-UHFFFAOYSA-N -1 3 396.760 3.120 20 0 GGADHM Cc1ccc2c(CCC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)c[nH]c2c1 ZINC000822275001 599650770 /nfs/dbraw/zinc/65/07/70/599650770.db2.gz MTQJTDFXNJPONI-UHFFFAOYSA-N -1 3 378.411 3.045 20 0 GGADHM Cc1ccc2c(CCC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)c[nH]c2c1 ZINC000822275001 599650771 /nfs/dbraw/zinc/65/07/71/599650771.db2.gz MTQJTDFXNJPONI-UHFFFAOYSA-N -1 3 378.411 3.045 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820967635 599656094 /nfs/dbraw/zinc/65/60/94/599656094.db2.gz RKXMRHURGWPYPL-KGLIPLIRSA-N -1 3 381.436 3.299 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820967635 599656095 /nfs/dbraw/zinc/65/60/95/599656095.db2.gz RKXMRHURGWPYPL-KGLIPLIRSA-N -1 3 381.436 3.299 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1CCC(C(F)(F)F)CC1 ZINC000822928037 599657100 /nfs/dbraw/zinc/65/71/00/599657100.db2.gz CYBNESMESUPHEH-JXMROGBWSA-N -1 3 379.386 3.365 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1CCC(C(F)(F)F)CC1 ZINC000822928037 599657101 /nfs/dbraw/zinc/65/71/01/599657101.db2.gz CYBNESMESUPHEH-JXMROGBWSA-N -1 3 379.386 3.365 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1sccc1C1CC1 ZINC000823445052 599659115 /nfs/dbraw/zinc/65/91/15/599659115.db2.gz RKUXSERZXJYAKG-UHFFFAOYSA-N -1 3 394.416 3.213 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1sccc1C1CC1 ZINC000823445052 599659116 /nfs/dbraw/zinc/65/91/16/599659116.db2.gz RKUXSERZXJYAKG-UHFFFAOYSA-N -1 3 394.416 3.213 20 0 GGADHM Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000822227753 599660387 /nfs/dbraw/zinc/66/03/87/599660387.db2.gz URCGBHAICXEUDQ-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000822227753 599660388 /nfs/dbraw/zinc/66/03/88/599660388.db2.gz URCGBHAICXEUDQ-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822289575 599662365 /nfs/dbraw/zinc/66/23/65/599662365.db2.gz ZYVGVRYMABWQIB-CYBMUJFWSA-N -1 3 390.403 3.072 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822289575 599662366 /nfs/dbraw/zinc/66/23/66/599662366.db2.gz ZYVGVRYMABWQIB-CYBMUJFWSA-N -1 3 390.403 3.072 20 0 GGADHM C[C@@H](OC(=O)[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820690389 599663894 /nfs/dbraw/zinc/66/38/94/599663894.db2.gz LCHSNYAUIJQHBT-UTUOFQBUSA-N -1 3 391.859 3.217 20 0 GGADHM C[C@@H](OC(=O)[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820690389 599663895 /nfs/dbraw/zinc/66/38/95/599663895.db2.gz LCHSNYAUIJQHBT-UTUOFQBUSA-N -1 3 391.859 3.217 20 0 GGADHM C[C@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820481716 599665068 /nfs/dbraw/zinc/66/50/68/599665068.db2.gz ZBGZEIPPWQQAOX-RYUDHWBXSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820481716 599665069 /nfs/dbraw/zinc/66/50/69/599665069.db2.gz ZBGZEIPPWQQAOX-RYUDHWBXSA-N -1 3 399.838 3.194 20 0 GGADHM Cc1ccc(Br)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822225041 599665227 /nfs/dbraw/zinc/66/52/27/599665227.db2.gz KXSZNUWOCLSRNL-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM Cc1ccc(Br)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822225041 599665228 /nfs/dbraw/zinc/66/52/28/599665228.db2.gz KXSZNUWOCLSRNL-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM Cc1ccc(Br)cc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822225071 599665447 /nfs/dbraw/zinc/66/54/47/599665447.db2.gz MWVBTURZIFSJDU-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM Cc1ccc(Br)cc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822225071 599665448 /nfs/dbraw/zinc/66/54/48/599665448.db2.gz MWVBTURZIFSJDU-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820225402 599667154 /nfs/dbraw/zinc/66/71/54/599667154.db2.gz ICETWROCCRJDIT-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820225402 599667155 /nfs/dbraw/zinc/66/71/55/599667155.db2.gz ICETWROCCRJDIT-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cnc2ccsc2c1 ZINC000823400407 599667741 /nfs/dbraw/zinc/66/77/41/599667741.db2.gz CPLJUGPQTJTWKC-UHFFFAOYSA-N -1 3 381.417 3.102 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820254862 599669727 /nfs/dbraw/zinc/66/97/27/599669727.db2.gz YNZNPVRNQNUKNH-CQSZACIVSA-N -1 3 384.411 3.197 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820254862 599669728 /nfs/dbraw/zinc/66/97/28/599669728.db2.gz YNZNPVRNQNUKNH-CQSZACIVSA-N -1 3 384.411 3.197 20 0 GGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820254717 599669855 /nfs/dbraw/zinc/66/98/55/599669855.db2.gz VNSSOIHATZPNNX-CQSZACIVSA-N -1 3 384.411 3.197 20 0 GGADHM C[C@H](CCc1cccc(F)c1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820254717 599669856 /nfs/dbraw/zinc/66/98/56/599669856.db2.gz VNSSOIHATZPNNX-CQSZACIVSA-N -1 3 384.411 3.197 20 0 GGADHM O=C(CCCC1CCCC1)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822954732 599670647 /nfs/dbraw/zinc/67/06/47/599670647.db2.gz ASRDENNGHAYNGC-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(CCCC1CCCC1)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822954732 599670648 /nfs/dbraw/zinc/67/06/48/599670648.db2.gz ASRDENNGHAYNGC-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822936728 599672112 /nfs/dbraw/zinc/67/21/12/599672112.db2.gz XGUVPTWCXRVHCV-OAHLLOKOSA-N -1 3 393.230 3.340 20 0 GGADHM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822936728 599672113 /nfs/dbraw/zinc/67/21/13/599672113.db2.gz XGUVPTWCXRVHCV-OAHLLOKOSA-N -1 3 393.230 3.340 20 0 GGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823410450 599672119 /nfs/dbraw/zinc/67/21/19/599672119.db2.gz WJLAFRFORMROLO-UGKGYDQZSA-N -1 3 390.443 3.083 20 0 GGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823410450 599672120 /nfs/dbraw/zinc/67/21/20/599672120.db2.gz WJLAFRFORMROLO-UGKGYDQZSA-N -1 3 390.443 3.083 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)c1ccccc1 ZINC000820364503 599673956 /nfs/dbraw/zinc/67/39/56/599673956.db2.gz BWLGWWGTXMLGIX-CYBMUJFWSA-N -1 3 382.443 3.171 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)c1ccccc1 ZINC000820364503 599673957 /nfs/dbraw/zinc/67/39/57/599673957.db2.gz BWLGWWGTXMLGIX-CYBMUJFWSA-N -1 3 382.443 3.171 20 0 GGADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)c1ccccc1 ZINC000820364504 599674024 /nfs/dbraw/zinc/67/40/24/599674024.db2.gz BWLGWWGTXMLGIX-ZDUSSCGKSA-N -1 3 382.443 3.171 20 0 GGADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)c1ccccc1 ZINC000820364504 599674025 /nfs/dbraw/zinc/67/40/25/599674025.db2.gz BWLGWWGTXMLGIX-ZDUSSCGKSA-N -1 3 382.443 3.171 20 0 GGADHM C[C@]1(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCCc2ccccc21 ZINC000820623070 599674788 /nfs/dbraw/zinc/67/47/88/599674788.db2.gz DJYUYYMWUPCCQA-FQEVSTJZSA-N -1 3 380.427 3.057 20 0 GGADHM C[C@]1(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCCc2ccccc21 ZINC000820623070 599674789 /nfs/dbraw/zinc/67/47/89/599674789.db2.gz DJYUYYMWUPCCQA-FQEVSTJZSA-N -1 3 380.427 3.057 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823249654 599675221 /nfs/dbraw/zinc/67/52/21/599675221.db2.gz FKYRLBZWRDXUJI-MRXNPFEDSA-N -1 3 386.818 3.316 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823249654 599675222 /nfs/dbraw/zinc/67/52/22/599675222.db2.gz FKYRLBZWRDXUJI-MRXNPFEDSA-N -1 3 386.818 3.316 20 0 GGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820633865 599676119 /nfs/dbraw/zinc/67/61/19/599676119.db2.gz FACOFQXPDMLTDR-SIKLNZKXSA-N -1 3 388.475 3.271 20 0 GGADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820633865 599676120 /nfs/dbraw/zinc/67/61/20/599676120.db2.gz FACOFQXPDMLTDR-SIKLNZKXSA-N -1 3 388.475 3.271 20 0 GGADHM Cc1ccc(CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C2CC2)cc1C ZINC000822236256 599679779 /nfs/dbraw/zinc/67/97/79/599679779.db2.gz RBUGJYYROKBZGT-UHFFFAOYSA-N -1 3 394.454 3.497 20 0 GGADHM Cc1ccc(CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C2CC2)cc1C ZINC000822236256 599679780 /nfs/dbraw/zinc/67/97/80/599679780.db2.gz RBUGJYYROKBZGT-UHFFFAOYSA-N -1 3 394.454 3.497 20 0 GGADHM C[C@H](NC(=O)N(CCc1ccc(F)cc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339252 599682125 /nfs/dbraw/zinc/68/21/25/599682125.db2.gz ANKGRJFLBYCKLM-AWEZNQCLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](NC(=O)N(CCc1ccc(F)cc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339252 599682126 /nfs/dbraw/zinc/68/21/26/599682126.db2.gz ANKGRJFLBYCKLM-AWEZNQCLSA-N -1 3 394.454 3.484 20 0 GGADHM CC(C)CO[C@@H](C)c1noc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000820096674 599683624 /nfs/dbraw/zinc/68/36/24/599683624.db2.gz FEMQYUAEWQPSLS-AWEZNQCLSA-N -1 3 397.483 3.148 20 0 GGADHM CC(C)CO[C@@H](C)c1noc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000820096674 599683625 /nfs/dbraw/zinc/68/36/25/599683625.db2.gz FEMQYUAEWQPSLS-AWEZNQCLSA-N -1 3 397.483 3.148 20 0 GGADHM CCCN(Cc1nc([C@@H](C)OCC(C)C)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821104671 599683907 /nfs/dbraw/zinc/68/39/07/599683907.db2.gz MGBRJESMSDUSEW-OAHLLOKOSA-N -1 3 399.499 3.396 20 0 GGADHM CCCN(Cc1nc([C@@H](C)OCC(C)C)no1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821104671 599683908 /nfs/dbraw/zinc/68/39/08/599683908.db2.gz MGBRJESMSDUSEW-OAHLLOKOSA-N -1 3 399.499 3.396 20 0 GGADHM CCC(CC)(CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)OC(C)(C)C ZINC000820887509 599686511 /nfs/dbraw/zinc/68/65/11/599686511.db2.gz FDYLNCIZTDQJLP-UHFFFAOYSA-N -1 3 395.895 3.411 20 0 GGADHM CCC(CC)(CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)OC(C)(C)C ZINC000820887509 599686512 /nfs/dbraw/zinc/68/65/12/599686512.db2.gz FDYLNCIZTDQJLP-UHFFFAOYSA-N -1 3 395.895 3.411 20 0 GGADHM CCC(CC)(CNc1nc(C)cc(C)c1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820887848 599686544 /nfs/dbraw/zinc/68/65/44/599686544.db2.gz URUBCJDOJNNYMH-UHFFFAOYSA-N -1 3 389.504 3.374 20 0 GGADHM CCC(CC)(CNc1nc(C)cc(C)c1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820887848 599686545 /nfs/dbraw/zinc/68/65/45/599686545.db2.gz URUBCJDOJNNYMH-UHFFFAOYSA-N -1 3 389.504 3.374 20 0 GGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@H](C(F)(F)F)O1 ZINC000820767096 599687907 /nfs/dbraw/zinc/68/79/07/599687907.db2.gz GCKTWRUPRSCTOZ-ISVAXAHUSA-N -1 3 398.776 3.224 20 0 GGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@H](C(F)(F)F)O1 ZINC000820767096 599687908 /nfs/dbraw/zinc/68/79/08/599687908.db2.gz GCKTWRUPRSCTOZ-ISVAXAHUSA-N -1 3 398.776 3.224 20 0 GGADHM CC[C@H]1Oc2cc([C@H](C)Nc3cccc(F)c3-c3nnn[n-]3)ccc2NC1=O ZINC000821000519 599689080 /nfs/dbraw/zinc/68/90/80/599689080.db2.gz GLJCJEDIUGSFKX-ZUZCIYMTSA-N -1 3 382.399 3.288 20 0 GGADHM CC[C@H]1Oc2cc([C@H](C)Nc3cccc(F)c3-c3nn[n-]n3)ccc2NC1=O ZINC000821000519 599689081 /nfs/dbraw/zinc/68/90/81/599689081.db2.gz GLJCJEDIUGSFKX-ZUZCIYMTSA-N -1 3 382.399 3.288 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000822217528 599692946 /nfs/dbraw/zinc/69/29/46/599692946.db2.gz HBNACGCKUAIMAT-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000822217528 599692947 /nfs/dbraw/zinc/69/29/47/599692947.db2.gz HBNACGCKUAIMAT-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(Cl)c1 ZINC000826290521 607387286 /nfs/dbraw/zinc/38/72/86/607387286.db2.gz PAFQASILLBUZKA-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC000826290521 607387288 /nfs/dbraw/zinc/38/72/88/607387288.db2.gz PAFQASILLBUZKA-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC000822217951 599699252 /nfs/dbraw/zinc/69/92/52/599699252.db2.gz SKRDRDPGCCATSL-MRXNPFEDSA-N -1 3 390.369 3.007 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC000822217951 599699253 /nfs/dbraw/zinc/69/92/53/599699253.db2.gz SKRDRDPGCCATSL-MRXNPFEDSA-N -1 3 390.369 3.007 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(Br)c1 ZINC000826252574 607387384 /nfs/dbraw/zinc/38/73/84/607387384.db2.gz IOWUUHLBPIAZRQ-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(Br)c1 ZINC000826252574 607387385 /nfs/dbraw/zinc/38/73/85/607387385.db2.gz IOWUUHLBPIAZRQ-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM CCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000590437724 599702650 /nfs/dbraw/zinc/70/26/50/599702650.db2.gz IZTZGVKQLDJQGM-IBGZPJMESA-N -1 3 381.476 3.297 20 0 GGADHM CCCC[C@@H](C(=O)[O-])N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000736981439 599706229 /nfs/dbraw/zinc/70/62/29/599706229.db2.gz ZCBLBLNWONINNV-INIZCTEOSA-N -1 3 392.887 3.151 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000739626029 599709494 /nfs/dbraw/zinc/70/94/94/599709494.db2.gz RKVVCLHNTAOSDJ-SIKLNZKXSA-N -1 3 392.499 3.294 20 0 GGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000739472261 599711379 /nfs/dbraw/zinc/71/13/79/599711379.db2.gz PGMHQDRFEBVUTP-GOSISDBHSA-N -1 3 389.402 3.377 20 0 GGADHM Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(-c4nnn[n-]4)cc3C)o2)c1 ZINC000826295821 607388971 /nfs/dbraw/zinc/38/89/71/607388971.db2.gz ZEQFWAWKUZMJCK-CYBMUJFWSA-N -1 3 390.403 3.452 20 0 GGADHM Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(-c4nn[n-]n4)cc3C)o2)c1 ZINC000826295821 607388973 /nfs/dbraw/zinc/38/89/73/607388973.db2.gz ZEQFWAWKUZMJCK-CYBMUJFWSA-N -1 3 390.403 3.452 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F ZINC000826251815 607389443 /nfs/dbraw/zinc/38/94/43/607389443.db2.gz BSLZTKPBYKLFEN-UHFFFAOYSA-N -1 3 384.264 3.228 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F ZINC000826251815 607389446 /nfs/dbraw/zinc/38/94/46/607389446.db2.gz BSLZTKPBYKLFEN-UHFFFAOYSA-N -1 3 384.264 3.228 20 0 GGADHM O=C([O-])COc1cccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000659752109 599741716 /nfs/dbraw/zinc/74/17/16/599741716.db2.gz ANZHVCMYKJWXMA-HXUWFJFHSA-N -1 3 382.460 3.107 20 0 GGADHM O=C([O-])COc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000659754400 599741848 /nfs/dbraw/zinc/74/18/48/599741848.db2.gz PCAJJYPTFUKVBQ-HXUWFJFHSA-N -1 3 382.460 3.107 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1cncc(C)c1 ZINC000821389198 607392256 /nfs/dbraw/zinc/39/22/56/607392256.db2.gz IJYUUISXJOYULA-SNAWJCMRSA-N -1 3 385.811 3.241 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1cncc(C)c1 ZINC000821389198 607392257 /nfs/dbraw/zinc/39/22/57/607392257.db2.gz IJYUUISXJOYULA-SNAWJCMRSA-N -1 3 385.811 3.241 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CCCN(Cc3ccccc3C)CC2)c(C)c1C(=O)[O-] ZINC000738769569 599770716 /nfs/dbraw/zinc/77/07/16/599770716.db2.gz DPEJZLIGXZQEOA-SFHVURJKSA-N -1 3 397.519 3.417 20 0 GGADHM Cc1csc(=O)n1CCN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738814431 599770790 /nfs/dbraw/zinc/77/07/90/599770790.db2.gz QUOJIRIWHJGORC-ZDUSSCGKSA-N -1 3 375.277 3.283 20 0 GGADHM CCCCn1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1C ZINC000821083229 607393111 /nfs/dbraw/zinc/39/31/11/607393111.db2.gz VYYLHGUZLFZSJT-UHFFFAOYSA-N -1 3 383.456 3.211 20 0 GGADHM CCCCn1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1C ZINC000821083229 607393113 /nfs/dbraw/zinc/39/31/13/607393113.db2.gz VYYLHGUZLFZSJT-UHFFFAOYSA-N -1 3 383.456 3.211 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000666530281 599780121 /nfs/dbraw/zinc/78/01/21/599780121.db2.gz KRPOCDUNQJVFDM-HXUWFJFHSA-N -1 3 381.476 3.411 20 0 GGADHM Cc1nc2ccc(NC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2o1 ZINC000826328758 607393516 /nfs/dbraw/zinc/39/35/16/607393516.db2.gz BNQSOLGIHZTEKU-UHFFFAOYSA-N -1 3 375.392 3.127 20 0 GGADHM Cc1nc2ccc(NC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2o1 ZINC000826328758 607393517 /nfs/dbraw/zinc/39/35/17/607393517.db2.gz BNQSOLGIHZTEKU-UHFFFAOYSA-N -1 3 375.392 3.127 20 0 GGADHM O=C(Nc1cccc(N2CCCC2)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826456733 607393656 /nfs/dbraw/zinc/39/36/56/607393656.db2.gz UMOYCFPDEMUKDF-UHFFFAOYSA-N -1 3 389.463 3.278 20 0 GGADHM O=C(Nc1cccc(N2CCCC2)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826456733 607393659 /nfs/dbraw/zinc/39/36/59/607393659.db2.gz UMOYCFPDEMUKDF-UHFFFAOYSA-N -1 3 389.463 3.278 20 0 GGADHM COC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000737710104 599788942 /nfs/dbraw/zinc/78/89/42/599788942.db2.gz WSCGEVLKAFWVJF-HNNXBMFYSA-N -1 3 378.222 3.151 20 0 GGADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000737690701 599789206 /nfs/dbraw/zinc/78/92/06/599789206.db2.gz GBHHUEWQQMCDEI-HNNXBMFYSA-N -1 3 378.222 3.151 20 0 GGADHM Cc1nc2cc(NC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)ccc2o1 ZINC000826328175 607394741 /nfs/dbraw/zinc/39/47/41/607394741.db2.gz HXDIWAAZTKKVIJ-UHFFFAOYSA-N -1 3 375.392 3.127 20 0 GGADHM Cc1nc2cc(NC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)ccc2o1 ZINC000826328175 607394743 /nfs/dbraw/zinc/39/47/43/607394743.db2.gz HXDIWAAZTKKVIJ-UHFFFAOYSA-N -1 3 375.392 3.127 20 0 GGADHM COCCN(CCO)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737798128 599813871 /nfs/dbraw/zinc/81/38/71/599813871.db2.gz FHNNLZVIVYELGP-UHFFFAOYSA-N -1 3 380.444 3.041 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000739761408 599829074 /nfs/dbraw/zinc/82/90/74/599829074.db2.gz UZSOFOWCLLQQCW-HXUWFJFHSA-N -1 3 381.476 3.490 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000736714826 599841773 /nfs/dbraw/zinc/84/17/73/599841773.db2.gz JAIJBEQNIGWHCI-LBPRGKRZSA-N -1 3 386.404 3.118 20 0 GGADHM COc1ccc([C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000737975307 599859780 /nfs/dbraw/zinc/85/97/80/599859780.db2.gz XVSRSIXLOZSNKW-KRWDZBQOSA-N -1 3 377.824 3.425 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000820160000 607403113 /nfs/dbraw/zinc/40/31/13/607403113.db2.gz CNFHYAYLMLCXOW-GOSISDBHSA-N -1 3 392.419 3.110 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000820160000 607403114 /nfs/dbraw/zinc/40/31/14/607403114.db2.gz CNFHYAYLMLCXOW-GOSISDBHSA-N -1 3 392.419 3.110 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1-c1nnn[n-]1 ZINC000820160654 607403552 /nfs/dbraw/zinc/40/35/52/607403552.db2.gz OWNIPSSFQGSTHR-QGZVFWFLSA-N -1 3 381.461 3.309 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1-c1nn[n-]n1 ZINC000820160654 607403554 /nfs/dbraw/zinc/40/35/54/607403554.db2.gz OWNIPSSFQGSTHR-QGZVFWFLSA-N -1 3 381.461 3.309 20 0 GGADHM CCOC(=O)Nc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825522940 607406026 /nfs/dbraw/zinc/40/60/26/607406026.db2.gz LMCNHBDSGNETNL-UHFFFAOYSA-N -1 3 381.392 3.101 20 0 GGADHM CCOC(=O)Nc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825522940 607406027 /nfs/dbraw/zinc/40/60/27/607406027.db2.gz LMCNHBDSGNETNL-UHFFFAOYSA-N -1 3 381.392 3.101 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000820160141 607406441 /nfs/dbraw/zinc/40/64/41/607406441.db2.gz HUQZXWGILPXCGS-UHFFFAOYSA-N -1 3 385.811 3.129 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000820160141 607406443 /nfs/dbraw/zinc/40/64/43/607406443.db2.gz HUQZXWGILPXCGS-UHFFFAOYSA-N -1 3 385.811 3.129 20 0 GGADHM O=C([O-])CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000739660274 599951977 /nfs/dbraw/zinc/95/19/77/599951977.db2.gz WOZXRBHKVWLGSV-PMACEKPBSA-N -1 3 381.476 3.016 20 0 GGADHM CN(CCN1CCCC1)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000737440907 599952017 /nfs/dbraw/zinc/95/20/17/599952017.db2.gz IPAMURFSBGKJFH-UHFFFAOYSA-N -1 3 388.489 3.438 20 0 GGADHM O=C([O-])CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000739660282 599952154 /nfs/dbraw/zinc/95/21/54/599952154.db2.gz WOZXRBHKVWLGSV-VQTJNVASSA-N -1 3 381.476 3.016 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000821741365 607408653 /nfs/dbraw/zinc/40/86/53/607408653.db2.gz LGCJGCBGQCLPQH-UHFFFAOYSA-N -1 3 391.431 3.423 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000821741365 607408655 /nfs/dbraw/zinc/40/86/55/607408655.db2.gz LGCJGCBGQCLPQH-UHFFFAOYSA-N -1 3 391.431 3.423 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000826254502 607408658 /nfs/dbraw/zinc/40/86/58/607408658.db2.gz OSUXGZPLZMSECP-UGSOOPFHSA-N -1 3 391.431 3.127 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000826254502 607408660 /nfs/dbraw/zinc/40/86/60/607408660.db2.gz OSUXGZPLZMSECP-UGSOOPFHSA-N -1 3 391.431 3.127 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1nc(C)sc1C ZINC000825609684 607783267 /nfs/dbraw/zinc/78/32/67/607783267.db2.gz QWTNFSSPYJLEDP-UHFFFAOYSA-N -1 3 379.829 3.211 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1nc(C)sc1C ZINC000825609684 607783268 /nfs/dbraw/zinc/78/32/68/607783268.db2.gz QWTNFSSPYJLEDP-UHFFFAOYSA-N -1 3 379.829 3.211 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000821736823 607409938 /nfs/dbraw/zinc/40/99/38/607409938.db2.gz OUGPLPAMUKANFI-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000821736823 607409939 /nfs/dbraw/zinc/40/99/39/607409939.db2.gz OUGPLPAMUKANFI-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000821741083 607410523 /nfs/dbraw/zinc/41/05/23/607410523.db2.gz HYXXXTSTKZHJBE-UHFFFAOYSA-N -1 3 392.337 3.180 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000821741083 607410524 /nfs/dbraw/zinc/41/05/24/607410524.db2.gz HYXXXTSTKZHJBE-UHFFFAOYSA-N -1 3 392.337 3.180 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127453 599992943 /nfs/dbraw/zinc/99/29/43/599992943.db2.gz KMNUJKAFPOLPFH-FXAWDEMLSA-N -1 3 385.460 3.360 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccccc1C(F)(F)F ZINC000821749811 607411285 /nfs/dbraw/zinc/41/12/85/607411285.db2.gz ZAECWFGUWXCOIJ-UHFFFAOYSA-N -1 3 378.310 3.251 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccccc1C(F)(F)F ZINC000821749811 607411287 /nfs/dbraw/zinc/41/12/87/607411287.db2.gz ZAECWFGUWXCOIJ-UHFFFAOYSA-N -1 3 378.310 3.251 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000738708821 600007483 /nfs/dbraw/zinc/00/74/83/600007483.db2.gz NLIGBLJCRWPTFT-UHFFFAOYSA-N -1 3 385.464 3.054 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)N(C)C)cc1 ZINC000737259814 600013218 /nfs/dbraw/zinc/01/32/18/600013218.db2.gz YKBQENIFJMXDAT-FQEVSTJZSA-N -1 3 381.476 3.275 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC000740203582 600013600 /nfs/dbraw/zinc/01/36/00/600013600.db2.gz OXELVKZTJSBQIV-QGZVFWFLSA-N -1 3 385.489 3.309 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCC(=O)c1ccc(F)cc1F ZINC000826253088 607413070 /nfs/dbraw/zinc/41/30/70/607413070.db2.gz FEGPTPCJTVSOKA-UHFFFAOYSA-N -1 3 386.358 3.160 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCC(=O)c1ccc(F)cc1F ZINC000826253088 607413071 /nfs/dbraw/zinc/41/30/71/607413071.db2.gz FEGPTPCJTVSOKA-UHFFFAOYSA-N -1 3 386.358 3.160 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCOc1cccc(Cl)c1 ZINC000821741053 607413512 /nfs/dbraw/zinc/41/35/12/607413512.db2.gz GTKSPHZTHLGZGS-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCOc1cccc(Cl)c1 ZINC000821741053 607413513 /nfs/dbraw/zinc/41/35/13/607413513.db2.gz GTKSPHZTHLGZGS-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM O=C([O-])CSCc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000739873312 600022544 /nfs/dbraw/zinc/02/25/44/600022544.db2.gz OVIKQLQQLBHCKE-IBGZPJMESA-N -1 3 399.516 3.400 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(Cl)c2cccnc12 ZINC000821745134 607413847 /nfs/dbraw/zinc/41/38/47/607413847.db2.gz GGURCHLCDWULFF-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000826254625 607413920 /nfs/dbraw/zinc/41/39/20/607413920.db2.gz UHLPFDAPKUWMNP-IBGZPJMESA-N -1 3 394.431 3.090 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000826254625 607413922 /nfs/dbraw/zinc/41/39/22/607413922.db2.gz UHLPFDAPKUWMNP-IBGZPJMESA-N -1 3 394.431 3.090 20 0 GGADHM COc1ccc([C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000737957572 600034144 /nfs/dbraw/zinc/03/41/44/600034144.db2.gz OKPCXVGWTLSMPE-OAQYLSRUSA-N -1 3 396.487 3.279 20 0 GGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670999 600036286 /nfs/dbraw/zinc/03/62/86/600036286.db2.gz PEKUNUSJTGUSRG-TZIWHRDSSA-N -1 3 378.472 3.460 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000736389278 600047898 /nfs/dbraw/zinc/04/78/98/600047898.db2.gz HBIUBPSWOHODEF-HXUWFJFHSA-N -1 3 384.432 3.081 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000821736253 607416411 /nfs/dbraw/zinc/41/64/11/607416411.db2.gz IBUGLSPGJPQDNI-UONOGXRCSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000821736253 607416412 /nfs/dbraw/zinc/41/64/12/607416412.db2.gz IBUGLSPGJPQDNI-UONOGXRCSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cccc(CN2CCC(NC(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738097914 600063738 /nfs/dbraw/zinc/06/37/38/600063738.db2.gz SRKPSHBBFHGDOS-UHFFFAOYSA-N -1 3 396.487 3.107 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737371123 600066062 /nfs/dbraw/zinc/06/60/62/600066062.db2.gz ZNLWZHSZWMWXPZ-UHFFFAOYSA-N -1 3 390.430 3.186 20 0 GGADHM Cc1ccc(COC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822238866 607417213 /nfs/dbraw/zinc/41/72/13/607417213.db2.gz YCIWGRHYDIUOCU-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1ccc(COC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822238866 607417214 /nfs/dbraw/zinc/41/72/14/607417214.db2.gz YCIWGRHYDIUOCU-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1nc2cc(F)ccc2cc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826328059 607417698 /nfs/dbraw/zinc/41/76/98/607417698.db2.gz FFAQEWMQCWIAFE-UHFFFAOYSA-N -1 3 388.406 3.282 20 0 GGADHM Cc1nc2cc(F)ccc2cc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826328059 607417700 /nfs/dbraw/zinc/41/77/00/607417700.db2.gz FFAQEWMQCWIAFE-UHFFFAOYSA-N -1 3 388.406 3.282 20 0 GGADHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000184997788 600082735 /nfs/dbraw/zinc/08/27/35/600082735.db2.gz MMUJIOCAAZLIDD-HNNXBMFYSA-N -1 3 390.505 3.101 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000826428289 607418315 /nfs/dbraw/zinc/41/83/15/607418315.db2.gz WLWDKOXXZHZIDL-UHFFFAOYSA-N -1 3 391.328 3.444 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000826428289 607418317 /nfs/dbraw/zinc/41/83/17/607418317.db2.gz WLWDKOXXZHZIDL-UHFFFAOYSA-N -1 3 391.328 3.444 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000740077713 600086799 /nfs/dbraw/zinc/08/67/99/600086799.db2.gz HFKIOJFDESHFIQ-ZDUSSCGKSA-N -1 3 391.830 3.423 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000740077712 600086890 /nfs/dbraw/zinc/08/68/90/600086890.db2.gz HFKIOJFDESHFIQ-CYBMUJFWSA-N -1 3 391.830 3.423 20 0 GGADHM Cc1cccc(NC[C@@H]2CCN([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738736896 600094786 /nfs/dbraw/zinc/09/47/86/600094786.db2.gz YWDQLLPOCMJCFD-SJORKVTESA-N -1 3 396.491 3.158 20 0 GGADHM Cc1cccc(NC[C@H]2CCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738736890 600095255 /nfs/dbraw/zinc/09/52/55/600095255.db2.gz YWDQLLPOCMJCFD-DLBZAZTESA-N -1 3 396.491 3.158 20 0 GGADHM CSCc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1F ZINC000826229287 607419760 /nfs/dbraw/zinc/41/97/60/607419760.db2.gz YKEMLRVOVGPTGN-UHFFFAOYSA-N -1 3 383.452 3.288 20 0 GGADHM CSCc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1F ZINC000826229287 607419762 /nfs/dbraw/zinc/41/97/62/607419762.db2.gz YKEMLRVOVGPTGN-UHFFFAOYSA-N -1 3 383.452 3.288 20 0 GGADHM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CNC(C)(C)c1ccc(F)cc1 ZINC000737506349 600102590 /nfs/dbraw/zinc/10/25/90/600102590.db2.gz WCCRPDSDSMMBID-LJQANCHMSA-N -1 3 397.450 3.385 20 0 GGADHM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CNC(C)(C)c1ccc(F)cc1 ZINC000737506340 600102786 /nfs/dbraw/zinc/10/27/86/600102786.db2.gz WCCRPDSDSMMBID-IBGZPJMESA-N -1 3 397.450 3.385 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c2c1 ZINC000826293626 607420461 /nfs/dbraw/zinc/42/04/61/607420461.db2.gz WMDUWRZABMKNQB-UHFFFAOYSA-N -1 3 386.459 3.395 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c2c1 ZINC000826293626 607420463 /nfs/dbraw/zinc/42/04/63/607420463.db2.gz WMDUWRZABMKNQB-UHFFFAOYSA-N -1 3 386.459 3.395 20 0 GGADHM CC(C)[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000736390963 600119151 /nfs/dbraw/zinc/11/91/51/600119151.db2.gz XXMOUSSAVSGZSZ-TZIWHRDSSA-N -1 3 384.451 3.151 20 0 GGADHM Cc1ccc(OCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826292103 607420806 /nfs/dbraw/zinc/42/08/06/607420806.db2.gz IIWVZKRUKONHII-UHFFFAOYSA-N -1 3 377.448 3.058 20 0 GGADHM Cc1ccc(OCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826292103 607420808 /nfs/dbraw/zinc/42/08/08/607420808.db2.gz IIWVZKRUKONHII-UHFFFAOYSA-N -1 3 377.448 3.058 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H](SC)C1 ZINC000821406198 607422415 /nfs/dbraw/zinc/42/24/15/607422415.db2.gz CEJFWLLVAQYUOY-CYBMUJFWSA-N -1 3 376.486 3.015 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H](SC)C1 ZINC000821406198 607422417 /nfs/dbraw/zinc/42/24/17/607422417.db2.gz CEJFWLLVAQYUOY-CYBMUJFWSA-N -1 3 376.486 3.015 20 0 GGADHM CS[C@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC000821956688 607422880 /nfs/dbraw/zinc/42/28/80/607422880.db2.gz VKZVJWVDYSQJST-AWEZNQCLSA-N -1 3 390.513 3.403 20 0 GGADHM CS[C@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC000821956688 607422882 /nfs/dbraw/zinc/42/28/82/607422882.db2.gz VKZVJWVDYSQJST-AWEZNQCLSA-N -1 3 390.513 3.403 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826428025 607423162 /nfs/dbraw/zinc/42/31/62/607423162.db2.gz LTABBIPLDOTLQI-JSGCOSHPSA-N -1 3 379.386 3.341 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826428025 607423164 /nfs/dbraw/zinc/42/31/64/607423164.db2.gz LTABBIPLDOTLQI-JSGCOSHPSA-N -1 3 379.386 3.341 20 0 GGADHM O=C([O-])[C@@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000164620334 600137466 /nfs/dbraw/zinc/13/74/66/600137466.db2.gz ZCGJKOJYKYGUBX-QGZVFWFLSA-N -1 3 376.472 3.284 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000824899486 607425120 /nfs/dbraw/zinc/42/51/20/607425120.db2.gz KIEDTFJVRBDUIM-SUMWQHHRSA-N -1 3 377.448 3.321 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000824899486 607425121 /nfs/dbraw/zinc/42/51/21/607425121.db2.gz KIEDTFJVRBDUIM-SUMWQHHRSA-N -1 3 377.448 3.321 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000824899485 607425149 /nfs/dbraw/zinc/42/51/49/607425149.db2.gz KIEDTFJVRBDUIM-GUYCJALGSA-N -1 3 377.448 3.321 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000824899485 607425150 /nfs/dbraw/zinc/42/51/50/607425150.db2.gz KIEDTFJVRBDUIM-GUYCJALGSA-N -1 3 377.448 3.321 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000823318687 607425482 /nfs/dbraw/zinc/42/54/82/607425482.db2.gz HLUAJCPGOJQWHN-XOKHGSTOSA-N -1 3 380.839 3.370 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000823318687 607425484 /nfs/dbraw/zinc/42/54/84/607425484.db2.gz HLUAJCPGOJQWHN-XOKHGSTOSA-N -1 3 380.839 3.370 20 0 GGADHM Cc1ccc([C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554810 600161540 /nfs/dbraw/zinc/16/15/40/600161540.db2.gz VAFJNBBTWUCTEC-FPOVZHCZSA-N -1 3 398.478 3.331 20 0 GGADHM COc1cccc2cc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)oc21 ZINC000826218114 607426012 /nfs/dbraw/zinc/42/60/12/607426012.db2.gz PNEFTRIWMXECRS-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM COc1cccc2cc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)oc21 ZINC000826218114 607426014 /nfs/dbraw/zinc/42/60/14/607426014.db2.gz PNEFTRIWMXECRS-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1-c1nnn[n-]1 ZINC000820300280 607426723 /nfs/dbraw/zinc/42/67/23/607426723.db2.gz OCHDSNYBHNKQAG-GFCCVEGCSA-N -1 3 386.481 3.468 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1-c1nn[n-]n1 ZINC000820300280 607426724 /nfs/dbraw/zinc/42/67/24/607426724.db2.gz OCHDSNYBHNKQAG-GFCCVEGCSA-N -1 3 386.481 3.468 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737993908 600177533 /nfs/dbraw/zinc/17/75/33/600177533.db2.gz BDSRKRNIEBVOHQ-KRWDZBQOSA-N -1 3 385.464 3.055 20 0 GGADHM CC1CCC(N2CCN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)CC2)CC1 ZINC000736769674 600183603 /nfs/dbraw/zinc/18/36/03/600183603.db2.gz WFRCOBSLAMMWBM-UHFFFAOYSA-N -1 3 389.496 3.268 20 0 GGADHM CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313534 600193559 /nfs/dbraw/zinc/19/35/59/600193559.db2.gz KTWBRBYHQBJMPX-QUCCMNQESA-N -1 3 384.451 3.322 20 0 GGADHM Cc1nc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)sc1C ZINC000822444612 607427159 /nfs/dbraw/zinc/42/71/59/607427159.db2.gz VETNFOQYGCSEES-UHFFFAOYSA-N -1 3 387.469 3.049 20 0 GGADHM Cc1nc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)sc1C ZINC000822444612 607427162 /nfs/dbraw/zinc/42/71/62/607427162.db2.gz VETNFOQYGCSEES-UHFFFAOYSA-N -1 3 387.469 3.049 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000820164717 607427189 /nfs/dbraw/zinc/42/71/89/607427189.db2.gz KUYDQHUYPLXYEG-WBVHZDCISA-N -1 3 396.426 3.471 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000820164717 607427191 /nfs/dbraw/zinc/42/71/91/607427191.db2.gz KUYDQHUYPLXYEG-WBVHZDCISA-N -1 3 396.426 3.471 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCS[C@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000820164370 607427270 /nfs/dbraw/zinc/42/72/70/607427270.db2.gz JMZUHJZPSSMIMG-INIZCTEOSA-N -1 3 390.513 3.259 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCS[C@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000820164370 607427272 /nfs/dbraw/zinc/42/72/72/607427272.db2.gz JMZUHJZPSSMIMG-INIZCTEOSA-N -1 3 390.513 3.259 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2ccncc2)cc1-c1nnn[n-]1 ZINC000820164008 607427470 /nfs/dbraw/zinc/42/74/70/607427470.db2.gz AFFXYSDXLNEKLN-CYBMUJFWSA-N -1 3 381.440 3.274 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2ccncc2)cc1-c1nn[n-]n1 ZINC000820164008 607427474 /nfs/dbraw/zinc/42/74/74/607427474.db2.gz AFFXYSDXLNEKLN-CYBMUJFWSA-N -1 3 381.440 3.274 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCOC2CCCCC2)cc1-c1nnn[n-]1 ZINC000820170356 607427925 /nfs/dbraw/zinc/42/79/25/607427925.db2.gz YCPNGPDEWWJRKN-UHFFFAOYSA-N -1 3 388.472 3.125 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCOC2CCCCC2)cc1-c1nn[n-]n1 ZINC000820170356 607427926 /nfs/dbraw/zinc/42/79/26/607427926.db2.gz YCPNGPDEWWJRKN-UHFFFAOYSA-N -1 3 388.472 3.125 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC000821949808 607428381 /nfs/dbraw/zinc/42/83/81/607428381.db2.gz JIZQAAIPMPEDQV-JSGCOSHPSA-N -1 3 390.513 3.450 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC000821949808 607428383 /nfs/dbraw/zinc/42/83/83/607428383.db2.gz JIZQAAIPMPEDQV-JSGCOSHPSA-N -1 3 390.513 3.450 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCc1nc2ccccc2n1C ZINC000736826956 600208591 /nfs/dbraw/zinc/20/85/91/600208591.db2.gz YDLKSIAYELLFPF-INIZCTEOSA-N -1 3 378.476 3.025 20 0 GGADHM CN(Cc1cccc(C(=O)[O-])c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000263454522 600231337 /nfs/dbraw/zinc/23/13/37/600231337.db2.gz GYTDTWDCXWSVHD-HNNXBMFYSA-N -1 3 383.366 3.275 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1-c1nnn[n-]1 ZINC000820169095 607431337 /nfs/dbraw/zinc/43/13/37/607431337.db2.gz FGPISOUZXUTSKA-UHFFFAOYSA-N -1 3 399.480 3.310 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1-c1nn[n-]n1 ZINC000820169095 607431338 /nfs/dbraw/zinc/43/13/38/607431338.db2.gz FGPISOUZXUTSKA-UHFFFAOYSA-N -1 3 399.480 3.310 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000574863087 600263629 /nfs/dbraw/zinc/26/36/29/600263629.db2.gz FGHDJEWFLWAGDH-VCBZYWHSSA-N -1 3 384.451 3.407 20 0 GGADHM O=C(NCc1cccc(F)n1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826442952 607432796 /nfs/dbraw/zinc/43/27/96/607432796.db2.gz RVTFNOXJXVSUOH-UHFFFAOYSA-N -1 3 389.394 3.074 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824739172 607432822 /nfs/dbraw/zinc/43/28/22/607432822.db2.gz WCLNVWVJXVBIMZ-SNVBAGLBSA-N -1 3 375.791 3.090 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824739172 607432824 /nfs/dbraw/zinc/43/28/24/607432824.db2.gz WCLNVWVJXVBIMZ-SNVBAGLBSA-N -1 3 375.791 3.090 20 0 GGADHM CN(C)[C@H](CNC(=O)CSc1nc2ccc(C(=O)[O-])cc2o1)c1ccccc1 ZINC000737358479 600276696 /nfs/dbraw/zinc/27/66/96/600276696.db2.gz NEYAYBQMVHGIFR-MRXNPFEDSA-N -1 3 399.472 3.037 20 0 GGADHM Cc1ccc(-n2nc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c3c2CCC3)cc1 ZINC000826280416 607434544 /nfs/dbraw/zinc/43/45/44/607434544.db2.gz AUZHESVXLMMXOT-UHFFFAOYSA-N -1 3 399.458 3.126 20 0 GGADHM Cc1ccc(-n2nc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c3c2CCC3)cc1 ZINC000826280416 607434546 /nfs/dbraw/zinc/43/45/46/607434546.db2.gz AUZHESVXLMMXOT-UHFFFAOYSA-N -1 3 399.458 3.126 20 0 GGADHM CC(C)c1ccc(CN(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)C2CC2)cc1 ZINC000736513451 600293432 /nfs/dbraw/zinc/29/34/32/600293432.db2.gz CTVLUULJXGOVNH-FQEVSTJZSA-N -1 3 384.520 3.488 20 0 GGADHM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821455491 607435468 /nfs/dbraw/zinc/43/54/68/607435468.db2.gz KISOAMQQEUTGTF-ZBFHGGJFSA-N -1 3 390.513 3.450 20 0 GGADHM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821455491 607435469 /nfs/dbraw/zinc/43/54/69/607435469.db2.gz KISOAMQQEUTGTF-ZBFHGGJFSA-N -1 3 390.513 3.450 20 0 GGADHM O=C([O-])CCN(CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)c(F)c1 ZINC000739724004 600327632 /nfs/dbraw/zinc/32/76/32/600327632.db2.gz CMKYZXSQAHKZSQ-UHFFFAOYSA-N -1 3 387.386 3.133 20 0 GGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC[C@H](N2CCCC2=O)C1 ZINC000738712307 600335224 /nfs/dbraw/zinc/33/52/24/600335224.db2.gz BQKBFWDAMNDVEH-LBPRGKRZSA-N -1 3 376.453 3.325 20 0 GGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCC2(CCCCC2)C1 ZINC000739286203 600338629 /nfs/dbraw/zinc/33/86/29/600338629.db2.gz QQTLUHOPSMLPOI-HXUWFJFHSA-N -1 3 397.519 3.326 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000820169632 607433544 /nfs/dbraw/zinc/43/35/44/607433544.db2.gz LDQLNGXZXMACIN-UHFFFAOYSA-N -1 3 384.415 3.157 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000820169632 607433546 /nfs/dbraw/zinc/43/35/46/607433546.db2.gz LDQLNGXZXMACIN-UHFFFAOYSA-N -1 3 384.415 3.157 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000737480964 600347161 /nfs/dbraw/zinc/34/71/61/600347161.db2.gz DCCGXXCMQBQQDL-LJQANCHMSA-N -1 3 384.480 3.091 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000736798275 600348302 /nfs/dbraw/zinc/34/83/02/600348302.db2.gz UUFMZVPGZMDKTI-WOJBJXKFSA-N -1 3 399.535 3.356 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737368997 600349354 /nfs/dbraw/zinc/34/93/54/600349354.db2.gz CHGJPTOHNWMLBT-UHFFFAOYSA-N -1 3 384.480 3.092 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738707730 600350739 /nfs/dbraw/zinc/35/07/39/600350739.db2.gz DQONYEGDUJZUQN-UHFFFAOYSA-N -1 3 384.480 3.358 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)N2CCCC2)cc1 ZINC000738562380 600350755 /nfs/dbraw/zinc/35/07/55/600350755.db2.gz WCTZOZBSPXPVIU-OALUTQOASA-N -1 3 385.508 3.028 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)N2CCCC2)cc1 ZINC000738562389 600350803 /nfs/dbraw/zinc/35/08/03/600350803.db2.gz WCTZOZBSPXPVIU-RTBURBONSA-N -1 3 385.508 3.028 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)N(C)C)cc1 ZINC000737259313 600356717 /nfs/dbraw/zinc/35/67/17/600356717.db2.gz OLBUUHNOQRWNLO-LJQANCHMSA-N -1 3 384.480 3.441 20 0 GGADHM COc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000262922067 600361589 /nfs/dbraw/zinc/36/15/89/600361589.db2.gz FQGOVBHINNZPBF-FQEVSTJZSA-N -1 3 397.475 3.030 20 0 GGADHM CN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820883 607438714 /nfs/dbraw/zinc/43/87/14/607438714.db2.gz XUJAMCPZIMRJIZ-UHFFFAOYSA-N -1 3 376.445 3.196 20 0 GGADHM CN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820883 607438716 /nfs/dbraw/zinc/43/87/16/607438716.db2.gz XUJAMCPZIMRJIZ-UHFFFAOYSA-N -1 3 376.445 3.196 20 0 GGADHM Cc1cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)sc1C(=O)[O-] ZINC000738229500 600370789 /nfs/dbraw/zinc/37/07/89/600370789.db2.gz BZCVWNXIYXDEIM-UHFFFAOYSA-N -1 3 387.505 3.296 20 0 GGADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)[O-] ZINC000736572724 600372979 /nfs/dbraw/zinc/37/29/79/600372979.db2.gz QBXHTNUNQXADJV-KGLIPLIRSA-N -1 3 376.453 3.098 20 0 GGADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)[O-] ZINC000736572728 600372996 /nfs/dbraw/zinc/37/29/96/600372996.db2.gz QBXHTNUNQXADJV-ZIAGYGMSSA-N -1 3 376.453 3.098 20 0 GGADHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)[O-] ZINC000736572722 600373078 /nfs/dbraw/zinc/37/30/78/600373078.db2.gz QBXHTNUNQXADJV-KBPBESRZSA-N -1 3 376.453 3.098 20 0 GGADHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)C(=O)[O-] ZINC000736571168 600374446 /nfs/dbraw/zinc/37/44/46/600374446.db2.gz JBZKEWGXHSJIDO-GJZGRUSLSA-N -1 3 387.505 3.353 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N(C)C[C@H](C)C(=O)[O-] ZINC000736571174 600374687 /nfs/dbraw/zinc/37/46/87/600374687.db2.gz JBZKEWGXHSJIDO-LSDHHAIUSA-N -1 3 387.505 3.353 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824753052 607439587 /nfs/dbraw/zinc/43/95/87/607439587.db2.gz BMROACALTXPQMK-LLVKDONJSA-N -1 3 391.353 3.316 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824753052 607439588 /nfs/dbraw/zinc/43/95/88/607439588.db2.gz BMROACALTXPQMK-LLVKDONJSA-N -1 3 391.353 3.316 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737368970 600384370 /nfs/dbraw/zinc/38/43/70/600384370.db2.gz CBWKNYCMPMIFOH-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737369013 600389134 /nfs/dbraw/zinc/38/91/34/600389134.db2.gz CYQQNRPQSPSVME-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM COc1ccc(-c2ncc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)s2)cc1 ZINC000826181948 607440947 /nfs/dbraw/zinc/44/09/47/607440947.db2.gz UBQORZUPGIADIO-UHFFFAOYSA-N -1 3 392.444 3.275 20 0 GGADHM COc1ccc(-c2ncc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000826181948 607440949 /nfs/dbraw/zinc/44/09/49/607440949.db2.gz UBQORZUPGIADIO-UHFFFAOYSA-N -1 3 392.444 3.275 20 0 GGADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000739381420 600402167 /nfs/dbraw/zinc/40/21/67/600402167.db2.gz LVMCPMFUDCXXBR-MRXNPFEDSA-N -1 3 378.881 3.422 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccccc1 ZINC000737361507 600405792 /nfs/dbraw/zinc/40/57/92/600405792.db2.gz ULIFPMNVLKCZAC-OAHLLOKOSA-N -1 3 393.390 3.411 20 0 GGADHM CC1CCN(C(=O)C2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000736792244 600410175 /nfs/dbraw/zinc/41/01/75/600410175.db2.gz UFTIINOEEXIFRR-SFHVURJKSA-N -1 3 378.900 3.436 20 0 GGADHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662250 600426387 /nfs/dbraw/zinc/42/63/87/600426387.db2.gz MTTDSJHWUCZQSP-SJCJKPOMSA-N -1 3 396.896 3.067 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(F)cc1 ZINC000739483959 600427426 /nfs/dbraw/zinc/42/74/26/600427426.db2.gz NEYWDTVYSVQGPF-IBGZPJMESA-N -1 3 379.391 3.389 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(Cl)c1 ZINC000739498550 600427737 /nfs/dbraw/zinc/42/77/37/600427737.db2.gz AHBAZWQBBYBEDW-HXUWFJFHSA-N -1 3 382.847 3.466 20 0 GGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(F)cc1 ZINC000739483960 600428046 /nfs/dbraw/zinc/42/80/46/600428046.db2.gz NEYWDTVYSVQGPF-LJQANCHMSA-N -1 3 379.391 3.389 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(Cl)c1 ZINC000739484088 600429583 /nfs/dbraw/zinc/42/95/83/600429583.db2.gz PKVMCRWSEKQWAV-ROUUACIJSA-N -1 3 388.851 3.373 20 0 GGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(Cl)c1 ZINC000739484090 600429605 /nfs/dbraw/zinc/42/96/05/600429605.db2.gz PKVMCRWSEKQWAV-ZWKOTPCHSA-N -1 3 388.851 3.373 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(F)cc1 ZINC000739468125 600432608 /nfs/dbraw/zinc/43/26/08/600432608.db2.gz GOHCSQGOPIHPBO-IBGZPJMESA-N -1 3 379.391 3.389 20 0 GGADHM Cc1[nH]c(C(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154910 600439848 /nfs/dbraw/zinc/43/98/48/600439848.db2.gz WHOVYZVIAJGEBH-HNAYVOBHSA-N -1 3 397.519 3.497 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000736713760 600441838 /nfs/dbraw/zinc/44/18/38/600441838.db2.gz CQSPUNFXZYJNIU-AAEUAGOBSA-N -1 3 387.354 3.429 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN(CCC(=O)[O-])C(C)C)cc1 ZINC000737980174 600445400 /nfs/dbraw/zinc/44/54/00/600445400.db2.gz AQGDUJPTZKMVKK-LJQANCHMSA-N -1 3 376.497 3.324 20 0 GGADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000739285379 600449967 /nfs/dbraw/zinc/44/99/67/600449967.db2.gz GZCOOFBEUOCULB-NZQKXSOJSA-N -1 3 395.503 3.102 20 0 GGADHM C[C@H](CNC(=O)NCCc1ccc(NC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736596577 600458643 /nfs/dbraw/zinc/45/86/43/600458643.db2.gz XITOKZLONOEZLI-MRXNPFEDSA-N -1 3 384.480 3.139 20 0 GGADHM Cc1ccc([C@H](CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)N(C)C)cc1 ZINC000738561522 600459062 /nfs/dbraw/zinc/45/90/62/600459062.db2.gz QGNSROAVYGCQIH-IBGZPJMESA-N -1 3 384.480 3.230 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000740018985 600461061 /nfs/dbraw/zinc/46/10/61/600461061.db2.gz YPISAGRDFVXCAW-HXUWFJFHSA-N -1 3 396.491 3.283 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000740016841 600461824 /nfs/dbraw/zinc/46/18/24/600461824.db2.gz AREUBSHEFOAXAF-HXUWFJFHSA-N -1 3 396.491 3.455 20 0 GGADHM CCc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(C(=O)[O-])cc2OC)o1 ZINC000737259614 600462517 /nfs/dbraw/zinc/46/25/17/600462517.db2.gz VIFLWMMNUNNESK-DOTOQJQBSA-N -1 3 389.448 3.126 20 0 GGADHM Cc1ccc(C2(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)CCOCC2)cc1 ZINC000826284817 607445773 /nfs/dbraw/zinc/44/57/73/607445773.db2.gz HCPWPEORTQWSTG-UHFFFAOYSA-N -1 3 392.459 3.275 20 0 GGADHM Cc1ccc(C2(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)CCOCC2)cc1 ZINC000826284817 607445774 /nfs/dbraw/zinc/44/57/74/607445774.db2.gz HCPWPEORTQWSTG-UHFFFAOYSA-N -1 3 392.459 3.275 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000738760319 600470598 /nfs/dbraw/zinc/47/05/98/600470598.db2.gz ILBPWKKHMXGZSX-NQSCKRDGSA-N -1 3 392.499 3.211 20 0 GGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)c(F)c1 ZINC000824500175 607446186 /nfs/dbraw/zinc/44/61/86/607446186.db2.gz UPCQAWQFYVOLFH-LLVKDONJSA-N -1 3 384.390 3.194 20 0 GGADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)c(F)c1 ZINC000824500175 607446187 /nfs/dbraw/zinc/44/61/87/607446187.db2.gz UPCQAWQFYVOLFH-LLVKDONJSA-N -1 3 384.390 3.194 20 0 GGADHM CN1CCC(N(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c2ccccc2)CC1 ZINC000737507602 600478151 /nfs/dbraw/zinc/47/81/51/600478151.db2.gz ADEBJVPOWYDTIY-UHFFFAOYSA-N -1 3 391.471 3.467 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825159742 607446626 /nfs/dbraw/zinc/44/66/26/607446626.db2.gz SEQMLWNTXKBWSP-MRXNPFEDSA-N -1 3 397.866 3.483 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825159742 607446627 /nfs/dbraw/zinc/44/66/27/607446627.db2.gz SEQMLWNTXKBWSP-MRXNPFEDSA-N -1 3 397.866 3.483 20 0 GGADHM CCc1ccc([C@H](CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)N(C)C)cc1 ZINC000737258460 600486617 /nfs/dbraw/zinc/48/66/17/600486617.db2.gz DGDBBTROQBFZFK-FQEVSTJZSA-N -1 3 398.507 3.484 20 0 GGADHM COc1ccc(CNC(=O)N(CCN(C)C)CC2CCCCC2)cc1C(=O)[O-] ZINC000738002249 600488856 /nfs/dbraw/zinc/48/88/56/600488856.db2.gz RMEHSVZCFQAKII-UHFFFAOYSA-N -1 3 391.512 3.047 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820160469 607447582 /nfs/dbraw/zinc/44/75/82/607447582.db2.gz KWBTULLHEDKFLO-SPLOXXLWSA-N -1 3 395.463 3.147 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820160469 607447583 /nfs/dbraw/zinc/44/75/83/607447583.db2.gz KWBTULLHEDKFLO-SPLOXXLWSA-N -1 3 395.463 3.147 20 0 GGADHM C[C@@H]1SCCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000572609378 600489923 /nfs/dbraw/zinc/48/99/23/600489923.db2.gz NSNLDCCGXZUMPC-CVAIRZPRSA-N -1 3 387.501 3.303 20 0 GGADHM CCCc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737039577 600498351 /nfs/dbraw/zinc/49/83/51/600498351.db2.gz FHXAPBSSXMFAAX-KRWDZBQOSA-N -1 3 383.492 3.368 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000740017291 600499680 /nfs/dbraw/zinc/49/96/80/600499680.db2.gz GUUCGFHSRAZHDG-UHFFFAOYSA-N -1 3 388.512 3.227 20 0 GGADHM CCN(C)[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821160250 607449313 /nfs/dbraw/zinc/44/93/13/607449313.db2.gz IBZVZVNQBMJAFQ-IBGZPJMESA-N -1 3 394.479 3.285 20 0 GGADHM Cc1ccccc1C[C@@H]1CCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738768522 600509233 /nfs/dbraw/zinc/50/92/33/600509233.db2.gz NFZCSRJUGJIIEG-FQEVSTJZSA-N -1 3 381.476 3.408 20 0 GGADHM CC1(C)CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc2S1 ZINC000820601749 607450476 /nfs/dbraw/zinc/45/04/76/607450476.db2.gz TZKCHFDUTOMUEX-UHFFFAOYSA-N -1 3 386.868 3.446 20 0 GGADHM CC1(C)CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc2S1 ZINC000820601749 607450479 /nfs/dbraw/zinc/45/04/79/607450479.db2.gz TZKCHFDUTOMUEX-UHFFFAOYSA-N -1 3 386.868 3.446 20 0 GGADHM O=C(CCN1Cc2ccccc2C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822968809 607451807 /nfs/dbraw/zinc/45/18/07/607451807.db2.gz APMDBIMGXDADHH-UHFFFAOYSA-N -1 3 394.504 3.151 20 0 GGADHM Cc1oc(CN(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1C(=O)[O-] ZINC000738966667 600534997 /nfs/dbraw/zinc/53/49/97/600534997.db2.gz BIJYDPWAJJCFFN-QGZVFWFLSA-N -1 3 385.464 3.092 20 0 GGADHM O=C([O-])CCOc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000739738526 600543541 /nfs/dbraw/zinc/54/35/41/600543541.db2.gz IJPQTFLIVKRSNA-IBGZPJMESA-N -1 3 397.475 3.326 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000824900128 607452895 /nfs/dbraw/zinc/45/28/95/607452895.db2.gz SOUMQIQAQYZHNU-MLGOLLRUSA-N -1 3 378.436 3.072 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000824900128 607452896 /nfs/dbraw/zinc/45/28/96/607452896.db2.gz SOUMQIQAQYZHNU-MLGOLLRUSA-N -1 3 378.436 3.072 20 0 GGADHM Cc1oc(NC(=O)CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547718 607454889 /nfs/dbraw/zinc/45/48/89/607454889.db2.gz BZMCHPZJICMZAG-BDJLRTHQSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1oc(NC(=O)CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(-c2nn[n-]n2)c1C ZINC000822547718 607454890 /nfs/dbraw/zinc/45/48/90/607454890.db2.gz BZMCHPZJICMZAG-BDJLRTHQSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000826287687 607457311 /nfs/dbraw/zinc/45/73/11/607457311.db2.gz YUAWHHCQAOVIDB-LBPRGKRZSA-N -1 3 382.493 3.156 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000826287687 607457313 /nfs/dbraw/zinc/45/73/13/607457313.db2.gz YUAWHHCQAOVIDB-LBPRGKRZSA-N -1 3 382.493 3.156 20 0 GGADHM CCCc1c(C(=O)N2CCN(C3CCC(C)CC3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737042357 600622348 /nfs/dbraw/zinc/62/23/48/600622348.db2.gz UNRPIBZXAORIIT-UHFFFAOYSA-N -1 3 375.513 3.310 20 0 GGADHM COC1CCC(N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000737734892 600629195 /nfs/dbraw/zinc/62/91/95/600629195.db2.gz PYRYOSMNXGWFRE-UHFFFAOYSA-N -1 3 380.510 3.153 20 0 GGADHM COc1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000826198926 607460477 /nfs/dbraw/zinc/46/04/77/607460477.db2.gz MVUJHMPOYWJEOC-UHFFFAOYSA-N -1 3 398.854 3.017 20 0 GGADHM COc1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC000826198926 607460478 /nfs/dbraw/zinc/46/04/78/607460478.db2.gz MVUJHMPOYWJEOC-UHFFFAOYSA-N -1 3 398.854 3.017 20 0 GGADHM Cc1ccc(C[C@@H]2CCCN2CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738588283 600642671 /nfs/dbraw/zinc/64/26/71/600642671.db2.gz BIBVRGWRNKNXQT-FQEVSTJZSA-N -1 3 381.476 3.408 20 0 GGADHM COc1ccc(OCc2nc(CNC3CCC(C(=O)[O-])CC3)cs2)cc1 ZINC000738050142 600652473 /nfs/dbraw/zinc/65/24/73/600652473.db2.gz ZTLVRLOBUFAGFR-UHFFFAOYSA-N -1 3 376.478 3.464 20 0 GGADHM O=C1c2ccccc2N[C@@H](c2ccc(-c3nnn[n-]3)cc2F)N1Cc1ccco1 ZINC000823551039 607462697 /nfs/dbraw/zinc/46/26/97/607462697.db2.gz CLQXHPHKILASMQ-LJQANCHMSA-N -1 3 390.378 3.366 20 0 GGADHM O=C1c2ccccc2N[C@@H](c2ccc(-c3nn[n-]n3)cc2F)N1Cc1ccco1 ZINC000823551039 607462699 /nfs/dbraw/zinc/46/26/99/607462699.db2.gz CLQXHPHKILASMQ-LJQANCHMSA-N -1 3 390.378 3.366 20 0 GGADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1F ZINC000824500779 607458701 /nfs/dbraw/zinc/45/87/01/607458701.db2.gz ZHPLZXZMFVFMLM-NSHDSACASA-N -1 3 384.390 3.194 20 0 GGADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1F ZINC000824500779 607458703 /nfs/dbraw/zinc/45/87/03/607458703.db2.gz ZHPLZXZMFVFMLM-NSHDSACASA-N -1 3 384.390 3.194 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(-n2cccn2)c1 ZINC000827727226 600693562 /nfs/dbraw/zinc/69/35/62/600693562.db2.gz HGMRXGIEBSBNPR-CXAGYDPISA-N -1 3 396.472 3.088 20 0 GGADHM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(-n2cccn2)cc1 ZINC000827727708 600693859 /nfs/dbraw/zinc/69/38/59/600693859.db2.gz LXQGIVNWXDHWFC-CXAGYDPISA-N -1 3 396.472 3.088 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2)CC1 ZINC000829781406 600706994 /nfs/dbraw/zinc/70/69/94/600706994.db2.gz VYJKKCASXOMIRJ-UHFFFAOYSA-N -1 3 381.476 3.098 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C(=O)[O-])cc1 ZINC000832923180 600707842 /nfs/dbraw/zinc/70/78/42/600707842.db2.gz JWIIWIODWGGLBG-QGZVFWFLSA-N -1 3 380.444 3.401 20 0 GGADHM Cc1cccc(C[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C(=O)[O-])c1 ZINC000832969309 600707852 /nfs/dbraw/zinc/70/78/52/600707852.db2.gz JVLYCCUOKAGQKL-QGZVFWFLSA-N -1 3 394.471 3.476 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000830619366 600707878 /nfs/dbraw/zinc/70/78/78/600707878.db2.gz DKXVJRAGTLMRMT-HNNXBMFYSA-N -1 3 398.434 3.307 20 0 GGADHM Cc1[nH]c(C(=O)CN2CCCN(Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738233347 600720848 /nfs/dbraw/zinc/72/08/48/600720848.db2.gz GBZCYKSUEAGLNV-HNNXBMFYSA-N -1 3 383.492 3.109 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCN(Cc2ccccc2)C[C@H]1C ZINC000738532908 600720965 /nfs/dbraw/zinc/72/09/65/600720965.db2.gz PFAVUJVIYAKPMP-GOSISDBHSA-N -1 3 395.503 3.228 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)cc2)CC1 ZINC000829781027 600722648 /nfs/dbraw/zinc/72/26/48/600722648.db2.gz ONUMZTOYVZKZOW-UHFFFAOYSA-N -1 3 396.491 3.191 20 0 GGADHM O=C([O-])c1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000263420073 600730818 /nfs/dbraw/zinc/73/08/18/600730818.db2.gz ONYYZOVHXRKNSP-KRWDZBQOSA-N -1 3 390.386 3.271 20 0 GGADHM CC(C)c1nnc2n1C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827175268 600744893 /nfs/dbraw/zinc/74/48/93/600744893.db2.gz JUWOKTTYEFXACB-IAQYHMDHSA-N -1 3 383.279 3.439 20 0 GGADHM CC(C)c1nnc2n1C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000827175267 600745063 /nfs/dbraw/zinc/74/50/63/600745063.db2.gz JUWOKTTYEFXACB-ABAIWWIYSA-N -1 3 383.279 3.439 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000832367536 600746714 /nfs/dbraw/zinc/74/67/14/600746714.db2.gz HPQBKHYXBDUBSA-FZKQIMNGSA-N -1 3 378.831 3.482 20 0 GGADHM O=C([O-])[C@H](N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1F ZINC000833166045 600751948 /nfs/dbraw/zinc/75/19/48/600751948.db2.gz FFIFCZYUIOJUMG-SJKOYZFVSA-N -1 3 380.366 3.421 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cc2)CC1 ZINC000829781356 600775520 /nfs/dbraw/zinc/77/55/20/600775520.db2.gz UKZKQQUSUPUJKV-UHFFFAOYSA-N -1 3 395.503 3.443 20 0 GGADHM Cc1cccc([C@H](O)CN(Cc2ccccc2)c2ncccc2-c2nnn[n-]2)c1 ZINC000822289512 607468401 /nfs/dbraw/zinc/46/84/01/607468401.db2.gz YCRMUPXHODHENL-HXUWFJFHSA-N -1 3 386.459 3.310 20 0 GGADHM Cc1cccc([C@H](O)CN(Cc2ccccc2)c2ncccc2-c2nn[n-]n2)c1 ZINC000822289512 607468402 /nfs/dbraw/zinc/46/84/02/607468402.db2.gz YCRMUPXHODHENL-HXUWFJFHSA-N -1 3 386.459 3.310 20 0 GGADHM O=C([O-])c1cccc(OCCOC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000740232166 600803866 /nfs/dbraw/zinc/80/38/66/600803866.db2.gz RRPHTAWJALTFRY-UHFFFAOYSA-N -1 3 383.444 3.219 20 0 GGADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccccc1N(C)C)CC2 ZINC000565104020 600819721 /nfs/dbraw/zinc/81/97/21/600819721.db2.gz IFGDNYCPDSZYQD-IBGZPJMESA-N -1 3 384.476 3.344 20 0 GGADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cccc(N(C)C)c1)CC2 ZINC000652452787 600820534 /nfs/dbraw/zinc/82/05/34/600820534.db2.gz RIZPIRCAAVHCGD-IBGZPJMESA-N -1 3 384.476 3.344 20 0 GGADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829394844 600820780 /nfs/dbraw/zinc/82/07/80/600820780.db2.gz AFUCXJSJDONDBH-ZBFHGGJFSA-N -1 3 396.915 3.434 20 0 GGADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829394841 600820806 /nfs/dbraw/zinc/82/08/06/600820806.db2.gz AFUCXJSJDONDBH-GOEBONIOSA-N -1 3 396.915 3.434 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829216545 600821811 /nfs/dbraw/zinc/82/18/11/600821811.db2.gz NUWOCCOYWCNRAI-GOEBONIOSA-N -1 3 396.915 3.434 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829216544 600822083 /nfs/dbraw/zinc/82/20/83/600822083.db2.gz NUWOCCOYWCNRAI-GDBMZVCRSA-N -1 3 396.915 3.434 20 0 GGADHM COc1ccc([C@H](CO)N(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000832240760 600829541 /nfs/dbraw/zinc/82/95/41/600829541.db2.gz HJOCYDWWVQBQGJ-KRWDZBQOSA-N -1 3 379.840 3.091 20 0 GGADHM Brc1cc2c(s1)CCN(Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC000823827001 607472062 /nfs/dbraw/zinc/47/20/62/607472062.db2.gz RWOHPHJDQVETAX-UHFFFAOYSA-N -1 3 376.283 3.249 20 0 GGADHM Brc1cc2c(s1)CCN(Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000823827001 607472064 /nfs/dbraw/zinc/47/20/64/607472064.db2.gz RWOHPHJDQVETAX-UHFFFAOYSA-N -1 3 376.283 3.249 20 0 GGADHM CN(C[C@H]1CCCN1CCOc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000830718818 600850894 /nfs/dbraw/zinc/85/08/94/600850894.db2.gz ZITXZFGLHFAKKX-MRXNPFEDSA-N -1 3 378.469 3.095 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000831918110 600863147 /nfs/dbraw/zinc/86/31/47/600863147.db2.gz LHUJQTCLJHKUPY-USXIJHARSA-N -1 3 389.448 3.199 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3cccc(C(=O)[O-])c3C)CC2)c1 ZINC000832971852 600882372 /nfs/dbraw/zinc/88/23/72/600882372.db2.gz WOKWWRPHCPSKJB-UHFFFAOYSA-N -1 3 381.476 3.152 20 0 GGADHM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000828213597 600895054 /nfs/dbraw/zinc/89/50/54/600895054.db2.gz ASWOHDFGARQLNN-TYNCELHUSA-N -1 3 388.386 3.090 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000833186522 600916910 /nfs/dbraw/zinc/91/69/10/600916910.db2.gz MVJDQZRKKBSRHI-DLBZAZTESA-N -1 3 376.522 3.107 20 0 GGADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000827958252 600920144 /nfs/dbraw/zinc/92/01/44/600920144.db2.gz RTXVMMOYFTWCGA-HRCADAONSA-N -1 3 385.464 3.335 20 0 GGADHM Cc1cccc([C@@H]2CCCN2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1C ZINC000738698523 600979013 /nfs/dbraw/zinc/97/90/13/600979013.db2.gz MRURPUTUISTEQD-VXKWHMMOSA-N -1 3 392.499 3.478 20 0 GGADHM Cc1cccc([C@H]2CCCN2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1C ZINC000738698521 600979528 /nfs/dbraw/zinc/97/95/28/600979528.db2.gz MRURPUTUISTEQD-FGZHOGPDSA-N -1 3 392.499 3.478 20 0 GGADHM COc1ccccc1NC(=O)C1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000832622443 600986583 /nfs/dbraw/zinc/98/65/83/600986583.db2.gz CLOXNKFGMNKNRC-LJQANCHMSA-N -1 3 386.423 3.311 20 0 GGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000833157340 600989282 /nfs/dbraw/zinc/98/92/82/600989282.db2.gz ANLZRIJPRWLFIK-KRWDZBQOSA-N -1 3 391.830 3.351 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000833157343 600990198 /nfs/dbraw/zinc/99/01/98/600990198.db2.gz ANLZRIJPRWLFIK-QGZVFWFLSA-N -1 3 391.830 3.351 20 0 GGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000833174107 600992631 /nfs/dbraw/zinc/99/26/31/600992631.db2.gz ZXUXFPONOSTGOJ-FQEVSTJZSA-N -1 3 382.435 3.253 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)c2)CC1 ZINC000424477073 600997960 /nfs/dbraw/zinc/99/79/60/600997960.db2.gz VEJHVNZVMJCZAW-KRWDZBQOSA-N -1 3 390.528 3.005 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828276658 601004991 /nfs/dbraw/zinc/00/49/91/601004991.db2.gz DTVOZNODOJOEHI-KRWDZBQOSA-N -1 3 397.475 3.278 20 0 GGADHM CC(C)(O)CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CCOCC1 ZINC000826636729 601010974 /nfs/dbraw/zinc/01/09/74/601010974.db2.gz GSISEBGAXAHZSI-UHFFFAOYSA-N -1 3 390.505 3.260 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828278059 601032643 /nfs/dbraw/zinc/03/26/43/601032643.db2.gz ODBZZFCUYXNKJK-KRWDZBQOSA-N -1 3 381.476 3.442 20 0 GGADHM O=C([O-])CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCOCC1 ZINC000569581161 601047041 /nfs/dbraw/zinc/04/70/41/601047041.db2.gz HYDDZHFGKPAVDR-UHFFFAOYSA-N -1 3 399.472 3.130 20 0 GGADHM COc1ccccc1-c1nc(CN(CCC(=O)[O-])C2CCOCC2)cs1 ZINC000571919704 601048424 /nfs/dbraw/zinc/04/84/24/601048424.db2.gz ZOKKSHPIYTWIBJ-UHFFFAOYSA-N -1 3 376.478 3.274 20 0 GGADHM Cc1nn(-c2ccccc2)c(Cl)c1CN(CCC(=O)[O-])C1CCOCC1 ZINC000833011346 601049027 /nfs/dbraw/zinc/04/90/27/601049027.db2.gz IJZAFVUIKUOSKG-UHFFFAOYSA-N -1 3 377.872 3.290 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000662232060 601050226 /nfs/dbraw/zinc/05/02/26/601050226.db2.gz FLVWMBVNCOYLDZ-NRFANRHFSA-N -1 3 378.472 3.497 20 0 GGADHM Cc1nn(Cc2ccccc2)c(Cl)c1CN(CCC(=O)[O-])C1CCOCC1 ZINC000833020863 601051620 /nfs/dbraw/zinc/05/16/20/601051620.db2.gz BGGRZGJKGSXFLD-UHFFFAOYSA-N -1 3 391.899 3.349 20 0 GGADHM C[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000736207262 601077467 /nfs/dbraw/zinc/07/74/67/601077467.db2.gz HLAGLMIUDYFPRW-AVRDEDQJSA-N -1 3 394.515 3.314 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000833176094 601084780 /nfs/dbraw/zinc/08/47/80/601084780.db2.gz AUDMJNZTCJFTEV-HBMCJLEFSA-N -1 3 399.535 3.176 20 0 GGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000826118669 601088833 /nfs/dbraw/zinc/08/88/33/601088833.db2.gz QZBNOPWEBUEHOG-LJQANCHMSA-N -1 3 381.476 3.445 20 0 GGADHM O=C([O-])CSCCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000739843432 601096516 /nfs/dbraw/zinc/09/65/16/601096516.db2.gz DFMSYUBIRKJUQA-UHFFFAOYSA-N -1 3 390.549 3.242 20 0 GGADHM CC(C)c1cnc(CN(C)[C@@H]2CCN(CCOc3cccc(C(=O)[O-])c3)C2)o1 ZINC000736524013 601114620 /nfs/dbraw/zinc/11/46/20/601114620.db2.gz YDQZBTAZPZZXMJ-QGZVFWFLSA-N -1 3 387.480 3.081 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148646 601119222 /nfs/dbraw/zinc/11/92/22/601119222.db2.gz BYVBTKUKJXKDSZ-APWZRJJASA-N -1 3 381.476 3.346 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000832916737 601120107 /nfs/dbraw/zinc/12/01/07/601120107.db2.gz MTUINDPPAVQQGW-SFHVURJKSA-N -1 3 395.503 3.228 20 0 GGADHM CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830507541 601129261 /nfs/dbraw/zinc/12/92/61/601129261.db2.gz LKTZKXBPYXIVJA-IBGZPJMESA-N -1 3 397.475 3.278 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000831577376 601135329 /nfs/dbraw/zinc/13/53/29/601135329.db2.gz FOLNXSCGEJFSNS-AWEZNQCLSA-N -1 3 383.659 3.055 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000828295831 601147729 /nfs/dbraw/zinc/14/77/29/601147729.db2.gz QTGUONQINCVHDK-GOSISDBHSA-N -1 3 395.503 3.233 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000248514250 601149416 /nfs/dbraw/zinc/14/94/16/601149416.db2.gz DWDAOGWASWVLTE-SZMVWBNQSA-N -1 3 399.516 3.291 20 0 GGADHM Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000832970534 601202167 /nfs/dbraw/zinc/20/21/67/601202167.db2.gz HJTYYQYITPFFQR-DNVCBOLYSA-N -1 3 383.448 3.003 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000826054732 601202544 /nfs/dbraw/zinc/20/25/44/601202544.db2.gz PRSYTGIBFVRSLZ-SJCJKPOMSA-N -1 3 378.375 3.278 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000826054733 601202676 /nfs/dbraw/zinc/20/26/76/601202676.db2.gz PRSYTGIBFVRSLZ-SJKOYZFVSA-N -1 3 378.375 3.278 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000826051863 601204582 /nfs/dbraw/zinc/20/45/82/601204582.db2.gz DHDXNLWCEIFMMX-YVEFUNNKSA-N -1 3 378.375 3.278 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000819946506 607491691 /nfs/dbraw/zinc/49/16/91/607491691.db2.gz MOGGCPMLPFIYHJ-UHFFFAOYSA-N -1 3 385.403 3.360 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000819946506 607491692 /nfs/dbraw/zinc/49/16/92/607491692.db2.gz MOGGCPMLPFIYHJ-UHFFFAOYSA-N -1 3 385.403 3.360 20 0 GGADHM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccccc1-n1cccn1 ZINC000827727739 601222737 /nfs/dbraw/zinc/22/27/37/601222737.db2.gz MOBJYQXXABFQJP-CJNGLKHVSA-N -1 3 396.472 3.088 20 0 GGADHM c1ccc(-c2noc([C@H]3CCCCN3Cc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826519921 607495747 /nfs/dbraw/zinc/49/57/47/607495747.db2.gz UHKRLXXHMMJAJT-QGZVFWFLSA-N -1 3 388.435 3.039 20 0 GGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000830603959 601245065 /nfs/dbraw/zinc/24/50/65/601245065.db2.gz BIHYMQPJMQYMEZ-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000830609177 601245315 /nfs/dbraw/zinc/24/53/15/601245315.db2.gz XAIADWMUOBAVEE-UHFFFAOYSA-N -1 3 395.381 3.003 20 0 GGADHM CCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000829452449 601245930 /nfs/dbraw/zinc/24/59/30/601245930.db2.gz AXMVJFYSCPLLBN-LJQANCHMSA-N -1 3 381.476 3.297 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820291927 607497617 /nfs/dbraw/zinc/49/76/17/607497617.db2.gz AFEJKZPAJAIWJW-OAHLLOKOSA-N -1 3 381.505 3.395 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820291927 607497619 /nfs/dbraw/zinc/49/76/19/607497619.db2.gz AFEJKZPAJAIWJW-OAHLLOKOSA-N -1 3 381.505 3.395 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832310592 601309608 /nfs/dbraw/zinc/30/96/08/601309608.db2.gz FLDLYOHMERIMTF-MRXNPFEDSA-N -1 3 389.427 3.233 20 0 GGADHM CC1(OCC(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000820629034 607500333 /nfs/dbraw/zinc/50/03/33/607500333.db2.gz UABMMUKGURSQFK-UHFFFAOYSA-N -1 3 393.447 3.343 20 0 GGADHM CC1(OCC(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000820629034 607500335 /nfs/dbraw/zinc/50/03/35/607500335.db2.gz UABMMUKGURSQFK-UHFFFAOYSA-N -1 3 393.447 3.343 20 0 GGADHM O=C([O-])c1cn(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc12 ZINC000833119724 601343670 /nfs/dbraw/zinc/34/36/70/601343670.db2.gz KAIXAZHRXPWCEX-OAQYLSRUSA-N -1 3 391.471 3.293 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cc(F)cc1F ZINC000820500312 607501621 /nfs/dbraw/zinc/50/16/21/607501621.db2.gz DBWBKHWCLBVCNR-LURJTMIESA-N -1 3 384.264 3.480 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(F)cc(F)cc1F ZINC000820500312 607501622 /nfs/dbraw/zinc/50/16/22/607501622.db2.gz DBWBKHWCLBVCNR-LURJTMIESA-N -1 3 384.264 3.480 20 0 GGADHM CC(C)c1ccccc1NC(=O)CONC(=N)COc1cccc(C(=O)[O-])c1 ZINC000827134217 601351089 /nfs/dbraw/zinc/35/10/89/601351089.db2.gz KTHMTNBJHKJVIP-UHFFFAOYSA-N -1 3 385.420 3.024 20 0 GGADHM CC(C)c1ccc(NC(=O)CONC(=N)COc2cccc(C(=O)[O-])c2)cc1 ZINC000827123781 601351860 /nfs/dbraw/zinc/35/18/60/601351860.db2.gz DBVHJZHPVJXZGU-UHFFFAOYSA-N -1 3 385.420 3.024 20 0 GGADHM N=C(COc1cccc(C(=O)[O-])c1)NOCC(=O)Nc1ccc2ccccc2c1 ZINC000833089514 601352756 /nfs/dbraw/zinc/35/27/56/601352756.db2.gz QFMIBSRJPRQFQQ-UHFFFAOYSA-N -1 3 393.399 3.054 20 0 GGADHM Cc1nc2ccc(Br)cc2c(N2CCO[C@H](CC(=O)[O-])C2)c1C ZINC000833004745 601381924 /nfs/dbraw/zinc/38/19/24/601381924.db2.gz XXDHIWFDLBBLMK-CYBMUJFWSA-N -1 3 379.254 3.294 20 0 GGADHM C[C@H]1COCCCN1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820814417 607505838 /nfs/dbraw/zinc/50/58/38/607505838.db2.gz VDZSNOASBNYIPX-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@H]1COCCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820814417 607505840 /nfs/dbraw/zinc/50/58/40/607505840.db2.gz VDZSNOASBNYIPX-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000830369009 601413344 /nfs/dbraw/zinc/41/33/44/601413344.db2.gz HZPXVJCTLDWRIJ-LBPRGKRZSA-N -1 3 391.855 3.439 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000830363396 601414894 /nfs/dbraw/zinc/41/48/94/601414894.db2.gz UDBGGBFPYZDGIK-UHFFFAOYSA-N -1 3 390.505 3.173 20 0 GGADHM Cc1ccc2cc(C(=O)OCCCOc3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000822280498 607506761 /nfs/dbraw/zinc/50/67/61/607506761.db2.gz PVBYVYDWSMCLHA-UHFFFAOYSA-N -1 3 389.415 3.349 20 0 GGADHM Cc1ccc2cc(C(=O)OCCCOc3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000822280498 607506763 /nfs/dbraw/zinc/50/67/63/607506763.db2.gz PVBYVYDWSMCLHA-UHFFFAOYSA-N -1 3 389.415 3.349 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000830369374 601421779 /nfs/dbraw/zinc/42/17/79/601421779.db2.gz OJKYIPDSSLJQJM-GFCCVEGCSA-N -1 3 390.402 3.163 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000832915144 601423561 /nfs/dbraw/zinc/42/35/61/601423561.db2.gz HOAXOXMAOARFGM-FXAWDEMLSA-N -1 3 395.503 3.227 20 0 GGADHM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000663149766 601484938 /nfs/dbraw/zinc/48/49/38/601484938.db2.gz ZAOLVAAHLYAKNY-GHTZIAJQSA-N -1 3 396.462 3.248 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000663149768 601485060 /nfs/dbraw/zinc/48/50/60/601485060.db2.gz ZAOLVAAHLYAKNY-NQIIRXRSSA-N -1 3 396.462 3.248 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000663149770 601485330 /nfs/dbraw/zinc/48/53/30/601485330.db2.gz ZAOLVAAHLYAKNY-RXVVDRJESA-N -1 3 396.462 3.248 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCc1cc(Br)ccc1OC(F)F ZINC000831578387 601491436 /nfs/dbraw/zinc/49/14/36/601491436.db2.gz NLIFHZXOUGFHBK-AWEZNQCLSA-N -1 3 382.201 3.020 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827717226 601499687 /nfs/dbraw/zinc/49/96/87/601499687.db2.gz FXTYWDFUPOGVOZ-IAGOWNOFSA-N -1 3 395.503 3.341 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000827726995 601511543 /nfs/dbraw/zinc/51/15/43/601511543.db2.gz DNQJLZNFBKKZMD-LRHZJYQRSA-N -1 3 386.473 3.094 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000827726997 601511778 /nfs/dbraw/zinc/51/17/78/601511778.db2.gz DNQJLZNFBKKZMD-ZILJWTLNSA-N -1 3 386.473 3.094 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424012 601513752 /nfs/dbraw/zinc/51/37/52/601513752.db2.gz NVQRJHQJIKNJPB-RKVPGOIHSA-N -1 3 399.516 3.353 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263306796 601522348 /nfs/dbraw/zinc/52/23/48/601522348.db2.gz HJFUETOQBHHYNU-GQIGUUNPSA-N -1 3 382.460 3.245 20 0 GGADHM C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421576 601522506 /nfs/dbraw/zinc/52/25/06/601522506.db2.gz HJFUETOQBHHYNU-QINHECLXSA-N -1 3 382.460 3.245 20 0 GGADHM CCOc1ccc(-c2nc(CN3C[C@H](C(=O)[O-])[C@H](C)C3)cs2)cc1OC ZINC000830054244 601523933 /nfs/dbraw/zinc/52/39/33/601523933.db2.gz WRYKANOVYPRANX-DOMZBBRYSA-N -1 3 376.478 3.370 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000833130868 601546539 /nfs/dbraw/zinc/54/65/39/601546539.db2.gz ZYHFZNZJIAIPEJ-YLJYHZDGSA-N -1 3 378.428 3.453 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000833146964 601547448 /nfs/dbraw/zinc/54/74/48/601547448.db2.gz PATNGWSYKPLHKH-NRFANRHFSA-N -1 3 390.439 3.394 20 0 GGADHM Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832863365 601563240 /nfs/dbraw/zinc/56/32/40/601563240.db2.gz NYGSRBIOSNJGFH-KRWDZBQOSA-N -1 3 384.476 3.017 20 0 GGADHM Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832863081 601564105 /nfs/dbraw/zinc/56/41/05/601564105.db2.gz JSCORIVBVAGWPJ-FQEVSTJZSA-N -1 3 396.487 3.161 20 0 GGADHM COc1ccc(NC(=O)C2(NCc3ccc(C(=O)[O-])cc3)CCCC2)cc1OC ZINC000414633961 601598215 /nfs/dbraw/zinc/59/82/15/601598215.db2.gz AILNGAKMAKVAMP-UHFFFAOYSA-N -1 3 398.459 3.443 20 0 GGADHM COc1ccc(NC(=O)C2(NCc3cccc(C(=O)[O-])c3)CCCC2)cc1OC ZINC000414635530 601598362 /nfs/dbraw/zinc/59/83/62/601598362.db2.gz HISWLHSYAPKKPA-UHFFFAOYSA-N -1 3 398.459 3.443 20 0 GGADHM O=C([O-])c1cc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)ccn1 ZINC000833295816 601606477 /nfs/dbraw/zinc/60/64/77/601606477.db2.gz FVPIYLBZQXCTHN-UHFFFAOYSA-N -1 3 393.487 3.441 20 0 GGADHM CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)cs1 ZINC000820696257 601610673 /nfs/dbraw/zinc/61/06/73/601610673.db2.gz AYADGGQCLMODFO-OAHLLOKOSA-N -1 3 389.521 3.257 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000833032867 601618197 /nfs/dbraw/zinc/61/81/97/601618197.db2.gz PBGZBTYXNRSXSJ-UHFFFAOYSA-N -1 3 376.453 3.288 20 0 GGADHM COc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826194984 607517408 /nfs/dbraw/zinc/51/74/08/607517408.db2.gz CWSASIZKBSCILJ-OAQYLSRUSA-N -1 3 386.459 3.282 20 0 GGADHM COc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826194984 607517410 /nfs/dbraw/zinc/51/74/10/607517410.db2.gz CWSASIZKBSCILJ-OAQYLSRUSA-N -1 3 386.459 3.282 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829643201 601643995 /nfs/dbraw/zinc/64/39/95/601643995.db2.gz WLKYVTHPAIQKPC-CYBMUJFWSA-N -1 3 390.377 3.147 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000826055037 601650226 /nfs/dbraw/zinc/65/02/26/601650226.db2.gz UVPJGBZGESZVQQ-MLGOLLRUSA-N -1 3 383.416 3.235 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832368117 601651044 /nfs/dbraw/zinc/65/10/44/601651044.db2.gz UARLBBZIDODQBS-ORAYPTAESA-N -1 3 390.867 3.016 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000832945691 601651862 /nfs/dbraw/zinc/65/18/62/601651862.db2.gz HVVUBZAGCLMNBQ-DNVCBOLYSA-N -1 3 383.448 3.003 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc(=O)oc2c1 ZINC000825913536 601652058 /nfs/dbraw/zinc/65/20/58/601652058.db2.gz SWMVCOSAWBVAKB-ASSNKEHSSA-N -1 3 394.427 3.303 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1ccccc1 ZINC000826054779 601652664 /nfs/dbraw/zinc/65/26/64/601652664.db2.gz QNFWKCDWNBQNJS-HRAATJIYSA-N -1 3 398.507 3.454 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000826054756 601654483 /nfs/dbraw/zinc/65/44/83/601654483.db2.gz QENMNRYKJXLOMW-DYVFJYSZSA-N -1 3 381.881 3.165 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000826054758 601654631 /nfs/dbraw/zinc/65/46/31/601654631.db2.gz QENMNRYKJXLOMW-SUMWQHHRSA-N -1 3 381.881 3.165 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000826045632 601657150 /nfs/dbraw/zinc/65/71/50/601657150.db2.gz VOBFWXXNSXEENH-OYHNWAKOSA-N -1 3 391.471 3.104 20 0 GGADHM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827585879 601727884 /nfs/dbraw/zinc/72/78/84/601727884.db2.gz CIWSKBUCZRGNPF-GAJHUEQPSA-N -1 3 398.478 3.240 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc3cnccc32)CCCN(Cc2ccccc2)C1 ZINC000833128471 601728694 /nfs/dbraw/zinc/72/86/94/601728694.db2.gz HCYMBBHGEHWYBO-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2CSc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC000833128988 601729690 /nfs/dbraw/zinc/72/96/90/601729690.db2.gz QLQFIUVCCCWCDX-PGRDOPGGSA-N -1 3 396.512 3.112 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@@H]2CSc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC000833128987 601730027 /nfs/dbraw/zinc/73/00/27/601730027.db2.gz QLQFIUVCCCWCDX-GCJKJVERSA-N -1 3 396.512 3.112 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000833128991 601730111 /nfs/dbraw/zinc/73/01/11/601730111.db2.gz QMGPPIAFPMWWAE-PQNGQFLHSA-N -1 3 392.499 3.101 20 0 GGADHM 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CN(C(=O)CN1CC[C@](C)(C(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000449081781 601939764 /nfs/dbraw/zinc/93/97/64/601939764.db2.gz HVJOZULBUIGPSY-UNMCSNQZSA-N -1 3 384.451 3.170 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)s1 ZINC000833315419 601945710 /nfs/dbraw/zinc/94/57/10/601945710.db2.gz ULTFRIKQWFDHMF-UHFFFAOYSA-N -1 3 378.519 3.079 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])s1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000830819514 601955679 /nfs/dbraw/zinc/95/56/79/601955679.db2.gz SASRQAKOHULDOW-LBPRGKRZSA-N -1 3 389.395 3.337 20 0 GGADHM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2ccc3ccccc3c2)cc1 ZINC000833263922 601976060 /nfs/dbraw/zinc/97/60/60/601976060.db2.gz YANGWXSHDVGBGT-UHFFFAOYSA-N -1 3 383.469 3.129 20 0 GGADHM CC(C)c1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1 ZINC000827123815 601976817 /nfs/dbraw/zinc/97/68/17/601976817.db2.gz DUTYGCXRMIKMKN-UHFFFAOYSA-N -1 3 375.490 3.099 20 0 GGADHM O=C([O-])[C@H](NCc1cccc(-n2cncn2)c1)c1cc(Cl)cc(Cl)c1 ZINC000833168957 601977849 /nfs/dbraw/zinc/97/78/49/601977849.db2.gz BEZBJOWEUVCTTC-MRXNPFEDSA-N -1 3 377.231 3.490 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc(-n2cncn2)c1)c1cc(Cl)cc(Cl)c1 ZINC000833168948 601977969 /nfs/dbraw/zinc/97/79/69/601977969.db2.gz BEZBJOWEUVCTTC-INIZCTEOSA-N -1 3 377.231 3.490 20 0 GGADHM COc1cccc(C(C)(C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214471 607537452 /nfs/dbraw/zinc/53/74/52/607537452.db2.gz MRBVKSQYQHWVJB-CQSZACIVSA-N -1 3 394.479 3.213 20 0 GGADHM COc1cccc(C(C)(C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214471 607537454 /nfs/dbraw/zinc/53/74/54/607537454.db2.gz MRBVKSQYQHWVJB-CQSZACIVSA-N -1 3 394.479 3.213 20 0 GGADHM COc1cc(Br)cc(OC)c1OCc1ccccc1-c1nnn[n-]1 ZINC000826177111 607537554 /nfs/dbraw/zinc/53/75/54/607537554.db2.gz RSNVTLNPOFLFQX-UHFFFAOYSA-N -1 3 391.225 3.225 20 0 GGADHM COc1cc(Br)cc(OC)c1OCc1ccccc1-c1nn[n-]n1 ZINC000826177111 607537556 /nfs/dbraw/zinc/53/75/56/607537556.db2.gz RSNVTLNPOFLFQX-UHFFFAOYSA-N -1 3 391.225 3.225 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832310559 602029904 /nfs/dbraw/zinc/02/99/04/602029904.db2.gz DPMMUZOSXKOZDT-HOTGVXAUSA-N -1 3 377.485 3.302 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc(Cl)c2F)CCCN(Cc2ccccc2)C1 ZINC000833128629 602034016 /nfs/dbraw/zinc/03/40/16/602034016.db2.gz KJPDECFJERPCDV-HXUWFJFHSA-N -1 3 390.842 3.328 20 0 GGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000833170713 602044548 /nfs/dbraw/zinc/04/45/48/602044548.db2.gz JARWNLORDVTUTG-IAGOWNOFSA-N -1 3 387.307 3.306 20 0 GGADHM COc1ccccc1-c1nnc(SCc2ccc(OC)c(-c3nnn[n-]3)c2)o1 ZINC000826208037 607541166 /nfs/dbraw/zinc/54/11/66/607541166.db2.gz PXUPAWIJLFPGSQ-UHFFFAOYSA-N -1 3 396.432 3.226 20 0 GGADHM COc1ccccc1-c1nnc(SCc2ccc(OC)c(-c3nn[n-]n3)c2)o1 ZINC000826208037 607541168 /nfs/dbraw/zinc/54/11/68/607541168.db2.gz PXUPAWIJLFPGSQ-UHFFFAOYSA-N -1 3 396.432 3.226 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3cccc(CC(=O)[O-])c3)cc2)CC1 ZINC000737854897 602086965 /nfs/dbraw/zinc/08/69/65/602086965.db2.gz ZAHLCRZUUFYVFA-UHFFFAOYSA-N -1 3 382.464 3.100 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccc(N3CCC(C)CC3)nc2)C(=O)[O-])c1 ZINC000832057569 602167108 /nfs/dbraw/zinc/16/71/08/602167108.db2.gz QCWVNODGAKWQNP-OAQYLSRUSA-N -1 3 399.491 3.251 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2cc(OC)nc3ccccc23)C(=O)[O-])c1 ZINC000832056684 602175221 /nfs/dbraw/zinc/17/52/21/602175221.db2.gz HICSYUPTCGPNIX-HXUWFJFHSA-N -1 3 382.416 3.176 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(-n3cccn3)cc2)C(=O)[O-])c1 ZINC000832050341 602176164 /nfs/dbraw/zinc/17/61/64/602176164.db2.gz PHRWKSMSSPIUMK-VLIAUNLRSA-N -1 3 381.432 3.366 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccccc2-n2cccn2)C(=O)[O-])c1 ZINC000832051511 602177807 /nfs/dbraw/zinc/17/78/07/602177807.db2.gz WCBCMOYEHNOBJW-JLTOFOAXSA-N -1 3 381.432 3.366 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccccc2-n2nc(C)cc2C)C(=O)[O-])c1 ZINC000832058138 602178321 /nfs/dbraw/zinc/17/83/21/602178321.db2.gz WPZPWUOCDOXRKU-OAQYLSRUSA-N -1 3 395.459 3.422 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccccc2-n2nc(C)cc2C)C(=O)[O-])c1 ZINC000832058137 602178496 /nfs/dbraw/zinc/17/84/96/602178496.db2.gz WPZPWUOCDOXRKU-NRFANRHFSA-N -1 3 395.459 3.422 20 0 GGADHM Cc1nnc([C@@H]2CCCN(Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)[nH]1 ZINC000832996934 602234016 /nfs/dbraw/zinc/23/40/16/602234016.db2.gz JNOUIGYAKJTHFR-OAHLLOKOSA-N -1 3 383.477 3.314 20 0 GGADHM Fc1cnc(N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)nc1 ZINC000826378239 607556649 /nfs/dbraw/zinc/55/66/49/607556649.db2.gz ASDJYHFMEYWERR-UHFFFAOYSA-N -1 3 379.374 3.142 20 0 GGADHM Fc1cnc(N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)nc1 ZINC000826378239 607556651 /nfs/dbraw/zinc/55/66/51/607556651.db2.gz ASDJYHFMEYWERR-UHFFFAOYSA-N -1 3 379.374 3.142 20 0 GGADHM O=C([O-])c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1F ZINC000833320493 602301585 /nfs/dbraw/zinc/30/15/85/602301585.db2.gz PKJZMAWCKFMMAL-UHFFFAOYSA-N -1 3 387.480 3.475 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825782261 607562524 /nfs/dbraw/zinc/56/25/24/607562524.db2.gz ABCPRWYPHRRVDE-YUIUBULTSA-N -1 3 376.464 3.204 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825782261 607562526 /nfs/dbraw/zinc/56/25/26/607562526.db2.gz ABCPRWYPHRRVDE-YUIUBULTSA-N -1 3 376.464 3.204 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000826198801 607563115 /nfs/dbraw/zinc/56/31/15/607563115.db2.gz JCIHRSCMQBVJEB-INIZCTEOSA-N -1 3 398.854 3.015 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000826198801 607563117 /nfs/dbraw/zinc/56/31/17/607563117.db2.gz JCIHRSCMQBVJEB-INIZCTEOSA-N -1 3 398.854 3.015 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1-c1nnn[n-]1 ZINC000824329765 607563557 /nfs/dbraw/zinc/56/35/57/607563557.db2.gz VBUWCTNBDCGNQN-UHFFFAOYSA-N -1 3 378.436 3.180 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1-c1nn[n-]n1 ZINC000824329765 607563560 /nfs/dbraw/zinc/56/35/60/607563560.db2.gz VBUWCTNBDCGNQN-UHFFFAOYSA-N -1 3 378.436 3.180 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825782747 607565318 /nfs/dbraw/zinc/56/53/18/607565318.db2.gz NRKKIDIZUMBMRW-INIZCTEOSA-N -1 3 383.431 3.335 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825782747 607565319 /nfs/dbraw/zinc/56/53/19/607565319.db2.gz NRKKIDIZUMBMRW-INIZCTEOSA-N -1 3 383.431 3.335 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCN(C)c3ccccc32)cc1-c1nnn[n-]1 ZINC000824324575 607568310 /nfs/dbraw/zinc/56/83/10/607568310.db2.gz QBVFGVYDQWWRRY-INIZCTEOSA-N -1 3 392.463 3.216 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCN(C)c3ccccc32)cc1-c1nn[n-]n1 ZINC000824324575 607568312 /nfs/dbraw/zinc/56/83/12/607568312.db2.gz QBVFGVYDQWWRRY-INIZCTEOSA-N -1 3 392.463 3.216 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1cc2occc2[nH]1 ZINC000826460080 607571931 /nfs/dbraw/zinc/57/19/31/607571931.db2.gz MDRQNXHSZPQDTJ-UHFFFAOYSA-N -1 3 391.416 3.241 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc(F)c(F)cc1F ZINC000826451356 607578511 /nfs/dbraw/zinc/57/85/11/607578511.db2.gz CKCFSRWXXVDSJL-UHFFFAOYSA-N -1 3 385.252 3.138 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc(F)c(F)cc1F ZINC000826451356 607578514 /nfs/dbraw/zinc/57/85/14/607578514.db2.gz CKCFSRWXXVDSJL-UHFFFAOYSA-N -1 3 385.252 3.138 20 0 GGADHM COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826196255 607581111 /nfs/dbraw/zinc/58/11/11/607581111.db2.gz VWWRZMANPFLUKH-MSOLQXFVSA-N -1 3 391.475 3.419 20 0 GGADHM COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826196255 607581113 /nfs/dbraw/zinc/58/11/13/607581113.db2.gz VWWRZMANPFLUKH-MSOLQXFVSA-N -1 3 391.475 3.419 20 0 GGADHM COc1ccc(CNC(=O)C[C@H](c2ccccc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826196679 607582483 /nfs/dbraw/zinc/58/24/83/607582483.db2.gz KLUXLCKGTQTENC-KRWDZBQOSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccc(CNC(=O)C[C@H](c2ccccc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826196679 607582484 /nfs/dbraw/zinc/58/24/84/607582484.db2.gz KLUXLCKGTQTENC-KRWDZBQOSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccc(CNC(=O)COc2ccc(C(C)C)c(C)c2)cc1-c1nnn[n-]1 ZINC000826197569 607586056 /nfs/dbraw/zinc/58/60/56/607586056.db2.gz UVJCCYOFNTUMTL-UHFFFAOYSA-N -1 3 395.463 3.002 20 0 GGADHM COc1ccc(CNC(=O)COc2ccc(C(C)C)c(C)c2)cc1-c1nn[n-]n1 ZINC000826197569 607586057 /nfs/dbraw/zinc/58/60/57/607586057.db2.gz UVJCCYOFNTUMTL-UHFFFAOYSA-N -1 3 395.463 3.002 20 0 GGADHM COc1ccc(CNC(=O)CCCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826196648 607585551 /nfs/dbraw/zinc/58/55/51/607585551.db2.gz JFQKKNVKDDTSDN-UHFFFAOYSA-N -1 3 385.855 3.168 20 0 GGADHM COc1ccc(CNC(=O)CCCc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826196648 607585552 /nfs/dbraw/zinc/58/55/52/607585552.db2.gz JFQKKNVKDDTSDN-UHFFFAOYSA-N -1 3 385.855 3.168 20 0 GGADHM COc1ccc(CNC(=O)c2cc(SC)ccc2Cl)cc1-c1nnn[n-]1 ZINC000826200825 607586305 /nfs/dbraw/zinc/58/63/05/607586305.db2.gz KNSGMLGLWSPLGH-UHFFFAOYSA-N -1 3 389.868 3.181 20 0 GGADHM COc1ccc(CNC(=O)c2cc(SC)ccc2Cl)cc1-c1nn[n-]n1 ZINC000826200825 607586306 /nfs/dbraw/zinc/58/63/06/607586306.db2.gz KNSGMLGLWSPLGH-UHFFFAOYSA-N -1 3 389.868 3.181 20 0 GGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(-c2ccccc2)ns1 ZINC000826464262 607589728 /nfs/dbraw/zinc/58/97/28/607589728.db2.gz PDEQCTJHQKCNMQ-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(-c2ccccc2)ns1 ZINC000826464262 607589730 /nfs/dbraw/zinc/58/97/30/607589730.db2.gz PDEQCTJHQKCNMQ-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM COc1ccc(COC(=O)CCc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000826205139 607598436 /nfs/dbraw/zinc/59/84/36/607598436.db2.gz LTPJLGOJRGVQND-UHFFFAOYSA-N -1 3 389.415 3.100 20 0 GGADHM COc1ccc(COC(=O)CCc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000826205139 607598437 /nfs/dbraw/zinc/59/84/37/607598437.db2.gz LTPJLGOJRGVQND-UHFFFAOYSA-N -1 3 389.415 3.100 20 0 GGADHM COc1ccc(CNC(=O)c2cc3ccccc3c(Cl)n2)cc1-c1nnn[n-]1 ZINC000826200715 607610185 /nfs/dbraw/zinc/61/01/85/607610185.db2.gz FRIWZHKLKFUEDD-UHFFFAOYSA-N -1 3 394.822 3.007 20 0 GGADHM COc1ccc(CNC(=O)c2cc3ccccc3c(Cl)n2)cc1-c1nn[n-]n1 ZINC000826200715 607610186 /nfs/dbraw/zinc/61/01/86/607610186.db2.gz FRIWZHKLKFUEDD-UHFFFAOYSA-N -1 3 394.822 3.007 20 0 GGADHM CC(C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824297131 607610886 /nfs/dbraw/zinc/61/08/86/607610886.db2.gz QSOUPCXJXSHCOU-UHFFFAOYSA-N -1 3 377.857 3.124 20 0 GGADHM CC(C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824297131 607610888 /nfs/dbraw/zinc/61/08/88/607610888.db2.gz QSOUPCXJXSHCOU-UHFFFAOYSA-N -1 3 377.857 3.124 20 0 GGADHM Cc1cccc(S(=O)(=O)N(c2ccccc2)C2CCCC2)c1-c1nnn[n-]1 ZINC000826300619 607611795 /nfs/dbraw/zinc/61/17/95/607611795.db2.gz BLDBRJMMCWXBDM-UHFFFAOYSA-N -1 3 383.477 3.313 20 0 GGADHM Cc1cccc(S(=O)(=O)N(c2ccccc2)C2CCCC2)c1-c1nn[n-]n1 ZINC000826300619 607611797 /nfs/dbraw/zinc/61/17/97/607611797.db2.gz BLDBRJMMCWXBDM-UHFFFAOYSA-N -1 3 383.477 3.313 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccccc2OC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826200456 607618513 /nfs/dbraw/zinc/61/85/13/607618513.db2.gz QOIHVAVUTWJWOX-UHFFFAOYSA-N -1 3 396.451 3.374 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccccc2OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826200456 607618516 /nfs/dbraw/zinc/61/85/16/607618516.db2.gz QOIHVAVUTWJWOX-UHFFFAOYSA-N -1 3 396.451 3.374 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506760 607620789 /nfs/dbraw/zinc/62/07/89/607620789.db2.gz QHMKDHFGOWMAGL-SNVBAGLBSA-N -1 3 398.377 3.494 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506760 607620790 /nfs/dbraw/zinc/62/07/90/607620790.db2.gz QHMKDHFGOWMAGL-SNVBAGLBSA-N -1 3 398.377 3.494 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826197173 607623185 /nfs/dbraw/zinc/62/31/85/607623185.db2.gz CQJFAMXRZIUKBB-IBGZPJMESA-N -1 3 394.479 3.414 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826197173 607623186 /nfs/dbraw/zinc/62/31/86/607623186.db2.gz CQJFAMXRZIUKBB-IBGZPJMESA-N -1 3 394.479 3.414 20 0 GGADHM COc1ccc(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1-c1nnn[n-]1 ZINC000826198413 607626256 /nfs/dbraw/zinc/62/62/56/607626256.db2.gz XDMFADYMQJNDEE-CJNGLKHVSA-N -1 3 396.451 3.151 20 0 GGADHM COc1ccc(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000826198413 607626257 /nfs/dbraw/zinc/62/62/57/607626257.db2.gz XDMFADYMQJNDEE-CJNGLKHVSA-N -1 3 396.451 3.151 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC2(C1)CC(F)(F)C2 ZINC000826474288 607639565 /nfs/dbraw/zinc/63/95/65/607639565.db2.gz JQZAUQWTNREAME-UHFFFAOYSA-N -1 3 381.386 3.405 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC2(C1)CC(F)(F)C2 ZINC000826474288 607639567 /nfs/dbraw/zinc/63/95/67/607639567.db2.gz JQZAUQWTNREAME-UHFFFAOYSA-N -1 3 381.386 3.405 20 0 GGADHM Cc1oc(NC(=O)CN2CCc3ccccc3[C@@H]2C(C)C)c(-c2nnn[n-]2)c1C ZINC000826341841 607643020 /nfs/dbraw/zinc/64/30/20/607643020.db2.gz RJBQCSRVPIIIHL-IBGZPJMESA-N -1 3 394.479 3.270 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000826184144 607643045 /nfs/dbraw/zinc/64/30/45/607643045.db2.gz MJEFRMOREFVMNI-OAQYLSRUSA-N -1 3 386.459 3.282 20 0 GGADHM CCOC(=O)N1CCC(Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CC1 ZINC000825518185 607644779 /nfs/dbraw/zinc/64/47/79/607644779.db2.gz UDYGLHAYFKOXKT-UHFFFAOYSA-N -1 3 399.480 3.023 20 0 GGADHM CCOC(=O)N1CCC(Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CC1 ZINC000825518185 607644780 /nfs/dbraw/zinc/64/47/80/607644780.db2.gz UDYGLHAYFKOXKT-UHFFFAOYSA-N -1 3 399.480 3.023 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000826247054 607650274 /nfs/dbraw/zinc/65/02/74/607650274.db2.gz SDSDHXFTBHGMOJ-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000826247054 607650276 /nfs/dbraw/zinc/65/02/76/607650276.db2.gz SDSDHXFTBHGMOJ-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)c(OC)c1 ZINC000826190058 607651152 /nfs/dbraw/zinc/65/11/52/607651152.db2.gz OIYQEKXVQULBTH-GOSISDBHSA-N -1 3 393.447 3.170 20 0 GGADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000826190058 607651153 /nfs/dbraw/zinc/65/11/53/607651153.db2.gz OIYQEKXVQULBTH-GOSISDBHSA-N -1 3 393.447 3.170 20 0 GGADHM COc1cccc(-n2ccnc2SCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826213736 607656501 /nfs/dbraw/zinc/65/65/01/607656501.db2.gz KKDKMBAIUGUYKS-UHFFFAOYSA-N -1 3 392.444 3.036 20 0 GGADHM COc1cccc(-n2ccnc2SCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826213736 607656504 /nfs/dbraw/zinc/65/65/04/607656504.db2.gz KKDKMBAIUGUYKS-UHFFFAOYSA-N -1 3 392.444 3.036 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccnc1OCc1ccccc1 ZINC000826250638 607667420 /nfs/dbraw/zinc/66/74/20/607667420.db2.gz KDGRFXOLHHNDPN-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccnc1OCc1ccccc1 ZINC000826250638 607667422 /nfs/dbraw/zinc/66/74/22/607667422.db2.gz KDGRFXOLHHNDPN-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cl)ccc1C(=O)NC(C)C ZINC000826250155 607667579 /nfs/dbraw/zinc/66/75/79/607667579.db2.gz NHIDMMUROUXEKV-UHFFFAOYSA-N -1 3 398.854 3.219 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cl)ccc1C(=O)NC(C)C ZINC000826250155 607667581 /nfs/dbraw/zinc/66/75/81/607667581.db2.gz NHIDMMUROUXEKV-UHFFFAOYSA-N -1 3 398.854 3.219 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000826248525 607670799 /nfs/dbraw/zinc/67/07/99/607670799.db2.gz MOCUPAYLFPKKTQ-PKOBYXMFSA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000826248525 607670801 /nfs/dbraw/zinc/67/08/01/607670801.db2.gz MOCUPAYLFPKKTQ-PKOBYXMFSA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000826248774 607672064 /nfs/dbraw/zinc/67/20/64/607672064.db2.gz WLSDPKHLZJWAPC-UHFFFAOYSA-N -1 3 376.247 3.454 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000826248774 607672066 /nfs/dbraw/zinc/67/20/66/607672066.db2.gz WLSDPKHLZJWAPC-UHFFFAOYSA-N -1 3 376.247 3.454 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826219676 607675591 /nfs/dbraw/zinc/67/55/91/607675591.db2.gz MBZCJKYPKJKLTA-KRWDZBQOSA-N -1 3 377.448 3.031 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826219676 607675592 /nfs/dbraw/zinc/67/55/92/607675592.db2.gz MBZCJKYPKJKLTA-KRWDZBQOSA-N -1 3 377.448 3.031 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000826244336 607676672 /nfs/dbraw/zinc/67/66/72/607676672.db2.gz OPAWSWBNSRMKIU-GOSISDBHSA-N -1 3 395.438 3.136 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000826244336 607676673 /nfs/dbraw/zinc/67/66/73/607676673.db2.gz OPAWSWBNSRMKIU-GOSISDBHSA-N -1 3 395.438 3.136 20 0 GGADHM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000751581027 607680841 /nfs/dbraw/zinc/68/08/41/607680841.db2.gz NWCSPDHMTJTCOC-UHFFFAOYSA-N -1 3 388.472 3.136 20 0 GGADHM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000751581027 607680843 /nfs/dbraw/zinc/68/08/43/607680843.db2.gz NWCSPDHMTJTCOC-UHFFFAOYSA-N -1 3 388.472 3.136 20 0 GGADHM O=C([O-])c1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1F ZINC000833141252 604271141 /nfs/dbraw/zinc/27/11/41/604271141.db2.gz VIVIUIWZYYFTSV-UHFFFAOYSA-N -1 3 380.485 3.005 20 0 GGADHM COc1ccc2c(c1)nccc2N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832487303 604271380 /nfs/dbraw/zinc/27/13/80/604271380.db2.gz WYMXUUQMMXZWEW-HNNXBMFYSA-N -1 3 383.429 3.221 20 0 GGADHM O=C([O-])CCOc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000833238635 604330989 /nfs/dbraw/zinc/33/09/89/604330989.db2.gz GMQYSEWCIGIWOG-UHFFFAOYSA-N -1 3 375.469 3.022 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000826088825 604374861 /nfs/dbraw/zinc/37/48/61/604374861.db2.gz CDTJMHBDYNSNDQ-UXHICEINSA-N -1 3 395.503 3.262 20 0 GGADHM O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826457296 607690815 /nfs/dbraw/zinc/69/08/15/607690815.db2.gz VGVGLWSEWVFNTG-UHFFFAOYSA-N -1 3 388.391 3.091 20 0 GGADHM O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826457296 607690816 /nfs/dbraw/zinc/69/08/16/607690816.db2.gz VGVGLWSEWVFNTG-UHFFFAOYSA-N -1 3 388.391 3.091 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000826247286 607691201 /nfs/dbraw/zinc/69/12/01/607691201.db2.gz YOFJHRTXEREVJP-IBGZPJMESA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000826247286 607691203 /nfs/dbraw/zinc/69/12/03/607691203.db2.gz YOFJHRTXEREVJP-IBGZPJMESA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000826245351 607692341 /nfs/dbraw/zinc/69/23/41/607692341.db2.gz VHNILHTWMQLTSP-IBGZPJMESA-N -1 3 376.464 3.218 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000826245351 607692343 /nfs/dbraw/zinc/69/23/43/607692343.db2.gz VHNILHTWMQLTSP-IBGZPJMESA-N -1 3 376.464 3.218 20 0 GGADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000443801100 607692615 /nfs/dbraw/zinc/69/26/15/607692615.db2.gz ULVPLXNXGKMNRH-UHFFFAOYSA-N -1 3 379.464 3.384 20 0 GGADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000443801100 607692617 /nfs/dbraw/zinc/69/26/17/607692617.db2.gz ULVPLXNXGKMNRH-UHFFFAOYSA-N -1 3 379.464 3.384 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824352811 607692741 /nfs/dbraw/zinc/69/27/41/607692741.db2.gz OUQGMRZUEBITOL-UHFFFAOYSA-N -1 3 379.464 3.418 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824352811 607692742 /nfs/dbraw/zinc/69/27/42/607692742.db2.gz OUQGMRZUEBITOL-UHFFFAOYSA-N -1 3 379.464 3.418 20 0 GGADHM CN(C)C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830596257 604457960 /nfs/dbraw/zinc/45/79/60/604457960.db2.gz GTSVVAZJZGVSGW-RBUKOAKNSA-N -1 3 383.492 3.441 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC000582791270 604461495 /nfs/dbraw/zinc/46/14/95/604461495.db2.gz SIRBSXZDQUPFPB-DYVFJYSZSA-N -1 3 389.452 3.216 20 0 GGADHM CN(CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000830785150 604471651 /nfs/dbraw/zinc/47/16/51/604471651.db2.gz HQUQEOUXXGKMTC-IBGZPJMESA-N -1 3 383.492 3.270 20 0 GGADHM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000833100062 604482118 /nfs/dbraw/zinc/48/21/18/604482118.db2.gz NBTSROXEASGMPC-NRFANRHFSA-N -1 3 386.423 3.093 20 0 GGADHM O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427514 607700091 /nfs/dbraw/zinc/70/00/91/607700091.db2.gz SISHDONCEHMSBB-HNNXBMFYSA-N -1 3 384.852 3.429 20 0 GGADHM O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427514 607700093 /nfs/dbraw/zinc/70/00/93/607700093.db2.gz SISHDONCEHMSBB-HNNXBMFYSA-N -1 3 384.852 3.429 20 0 GGADHM C[C@@H](Oc1ccc(CN(C)Cc2ccccc2N2CCOCC2)cc1)C(=O)[O-] ZINC000833537538 604522936 /nfs/dbraw/zinc/52/29/36/604522936.db2.gz KWZCPZOJFUNOTI-QGZVFWFLSA-N -1 3 384.476 3.007 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1)C(=O)[O-] ZINC000833541258 604523318 /nfs/dbraw/zinc/52/33/18/604523318.db2.gz MTECPRPRFZDDKJ-OAHLLOKOSA-N -1 3 398.459 3.095 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833542404 604523366 /nfs/dbraw/zinc/52/33/66/604523366.db2.gz QWWILYSPZPXHGE-QGZVFWFLSA-N -1 3 396.487 3.067 20 0 GGADHM C[C@H](Oc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543627 604525624 /nfs/dbraw/zinc/52/56/24/604525624.db2.gz TWAQZDAHSYHVND-KRWDZBQOSA-N -1 3 386.467 3.386 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833440332 604536808 /nfs/dbraw/zinc/53/68/08/604536808.db2.gz XCVYZGPXWNLYDQ-KRWDZBQOSA-N -1 3 377.485 3.324 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC000833541531 604537720 /nfs/dbraw/zinc/53/77/20/604537720.db2.gz NJVRGUZRQJDDBV-CQSZACIVSA-N -1 3 378.469 3.028 20 0 GGADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456773 607697270 /nfs/dbraw/zinc/69/72/70/607697270.db2.gz WMRJTROORPDBCS-UHFFFAOYSA-N -1 3 378.367 3.165 20 0 GGADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456773 607697271 /nfs/dbraw/zinc/69/72/71/607697271.db2.gz WMRJTROORPDBCS-UHFFFAOYSA-N -1 3 378.367 3.165 20 0 GGADHM C[C@@H](Oc1ccc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1)C(=O)[O-] ZINC000833537418 604541947 /nfs/dbraw/zinc/54/19/47/604541947.db2.gz KGWWVPSSXLFFPS-OAHLLOKOSA-N -1 3 382.460 3.063 20 0 GGADHM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455000 607697582 /nfs/dbraw/zinc/69/75/82/607697582.db2.gz VCKTWOUOXDUZSE-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455000 607697584 /nfs/dbraw/zinc/69/75/84/607697584.db2.gz VCKTWOUOXDUZSE-UHFFFAOYSA-N -1 3 395.810 3.075 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550673 604559948 /nfs/dbraw/zinc/55/99/48/604559948.db2.gz YFEGQXKQGWVGFN-OXJNMPFZSA-N -1 3 381.476 3.062 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1)C(=O)[O-] ZINC000833613701 604581468 /nfs/dbraw/zinc/58/14/68/604581468.db2.gz CFXHNLGKVGGIBL-IAGOWNOFSA-N -1 3 388.508 3.009 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1)C(=O)[O-] ZINC000833613703 604581868 /nfs/dbraw/zinc/58/18/68/604581868.db2.gz CFXHNLGKVGGIBL-IRXDYDNUSA-N -1 3 388.508 3.009 20 0 GGADHM OC1CCN(c2ccc(NC/C=C\c3ccc(F)cc3)cc2-c2nnn[n-]2)CC1 ZINC000826507178 607702370 /nfs/dbraw/zinc/70/23/70/607702370.db2.gz JYGJVLUIVYAEBD-UPHRSURJSA-N -1 3 394.454 3.092 20 0 GGADHM OC1CCN(c2ccc(NC/C=C\c3ccc(F)cc3)cc2-c2nn[n-]n2)CC1 ZINC000826507178 607702372 /nfs/dbraw/zinc/70/23/72/607702372.db2.gz JYGJVLUIVYAEBD-UPHRSURJSA-N -1 3 394.454 3.092 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833542825 604608500 /nfs/dbraw/zinc/60/85/00/604608500.db2.gz SVNILZSIAQFUQH-MRXNPFEDSA-N -1 3 397.475 3.325 20 0 GGADHM Cc1cccc(Oc2ncccc2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1C ZINC000826301038 607702801 /nfs/dbraw/zinc/70/28/01/607702801.db2.gz PNJIYYYEXUNCMB-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1cccc(Oc2ncccc2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1C ZINC000826301038 607702803 /nfs/dbraw/zinc/70/28/03/607702803.db2.gz PNJIYYYEXUNCMB-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540841 604622433 /nfs/dbraw/zinc/62/24/33/604622433.db2.gz LKAXNHNQBWSJJM-HKUYNNGSSA-N -1 3 396.487 3.181 20 0 GGADHM COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826193481 607704243 /nfs/dbraw/zinc/70/42/43/607704243.db2.gz FEFBHOLFDSBKGB-UHFFFAOYSA-N -1 3 388.431 3.046 20 0 GGADHM COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826193481 607704246 /nfs/dbraw/zinc/70/42/46/607704246.db2.gz FEFBHOLFDSBKGB-UHFFFAOYSA-N -1 3 388.431 3.046 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000826249767 607704609 /nfs/dbraw/zinc/70/46/09/607704609.db2.gz TZDLZEFISUAROC-UHFFFAOYSA-N -1 3 381.346 3.096 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000826249767 607704611 /nfs/dbraw/zinc/70/46/11/607704611.db2.gz TZDLZEFISUAROC-UHFFFAOYSA-N -1 3 381.346 3.096 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccccc2-n2ccc(C)n2)C(=O)[O-])c1 ZINC000832056925 604644888 /nfs/dbraw/zinc/64/48/88/604644888.db2.gz KSXASZRGDYFLPT-FQEVSTJZSA-N -1 3 381.432 3.113 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544515 604683338 /nfs/dbraw/zinc/68/33/38/604683338.db2.gz ZDIIZFWWIPXYCY-RDJZCZTQSA-N -1 3 392.496 3.370 20 0 GGADHM C[C@H](CN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449656 604742655 /nfs/dbraw/zinc/74/26/55/604742655.db2.gz NIZYTTJWOUUHRE-QVKFZJNVSA-N -1 3 398.528 3.407 20 0 GGADHM C[C@H](CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449657 604742946 /nfs/dbraw/zinc/74/29/46/604742946.db2.gz NIZYTTJWOUUHRE-VFNWGFHPSA-N -1 3 398.528 3.407 20 0 GGADHM C[C@H](CN(CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1)C(=O)[O-] ZINC000827449675 604744825 /nfs/dbraw/zinc/74/48/25/604744825.db2.gz NPMKELHUNUBZPJ-VGOFRKELSA-N -1 3 392.499 3.346 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000826470890 607712315 /nfs/dbraw/zinc/71/23/15/607712315.db2.gz HGTGGEYNDXCJKE-UHFFFAOYSA-N -1 3 376.395 3.177 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000826470890 607712316 /nfs/dbraw/zinc/71/23/16/607712316.db2.gz HGTGGEYNDXCJKE-UHFFFAOYSA-N -1 3 376.395 3.177 20 0 GGADHM Cc1ccc([C@@H](CNCc2ccc(C(=O)[O-])cc2F)N2CCOCC2)s1 ZINC000833749126 604758161 /nfs/dbraw/zinc/75/81/61/604758161.db2.gz NIABTTWCXZAFAR-QGZVFWFLSA-N -1 3 378.469 3.057 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544493 604759564 /nfs/dbraw/zinc/75/95/64/604759564.db2.gz YQOCZWAVYXMZOZ-RDJZCZTQSA-N -1 3 377.481 3.482 20 0 GGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000833286362 604760968 /nfs/dbraw/zinc/76/09/68/604760968.db2.gz QSXUSMYVJDFIHR-LJQANCHMSA-N -1 3 381.476 3.347 20 0 GGADHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000833770500 604762290 /nfs/dbraw/zinc/76/22/90/604762290.db2.gz HUINEMYJSSVRKP-IBGZPJMESA-N -1 3 377.387 3.415 20 0 GGADHM CCOc1ccc(-c2nc(CNC3(CC(=O)[O-])CCOCC3)cs2)cc1 ZINC000662211897 604789741 /nfs/dbraw/zinc/78/97/41/604789741.db2.gz GQWMSOYFMAEIBV-UHFFFAOYSA-N -1 3 376.478 3.322 20 0 GGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000829142666 604797465 /nfs/dbraw/zinc/79/74/65/604797465.db2.gz VTGREWLZEFPILR-CSMYWGQOSA-N -1 3 387.307 3.162 20 0 GGADHM O=C([O-])CCCN(Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000833226760 604803234 /nfs/dbraw/zinc/80/32/34/604803234.db2.gz FBGPAHINMZWJCY-UHFFFAOYSA-N -1 3 385.851 3.215 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547264 604809054 /nfs/dbraw/zinc/80/90/54/604809054.db2.gz AHGVESQXMQASKE-KKSFZXQISA-N -1 3 393.487 3.288 20 0 GGADHM C[C@@]1(NCc2csc(CC(=O)Nc3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833571438 604820751 /nfs/dbraw/zinc/82/07/51/604820751.db2.gz ZCBSVFAPEXMMRS-OXQOHEQNSA-N -1 3 387.505 3.447 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000833417351 604857260 /nfs/dbraw/zinc/85/72/60/604857260.db2.gz QTNQDYKBRVNTQH-APWZRJJASA-N -1 3 394.471 3.295 20 0 GGADHM COc1cc(OC)c(C2CCN([C@@H](C(=O)[O-])c3cccnc3)CC2)c(OC)c1 ZINC000530164940 604863538 /nfs/dbraw/zinc/86/35/38/604863538.db2.gz UBQJJHYAZWJIES-HXUWFJFHSA-N -1 3 386.448 3.113 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000830596374 604911165 /nfs/dbraw/zinc/91/11/65/604911165.db2.gz KDQBYXBHUMUOJK-INIZCTEOSA-N -1 3 391.855 3.228 20 0 GGADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826354710 607722690 /nfs/dbraw/zinc/72/26/90/607722690.db2.gz REVUIQUISGRPDH-UHFFFAOYSA-N -1 3 384.403 3.001 20 0 GGADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826354710 607722692 /nfs/dbraw/zinc/72/26/92/607722692.db2.gz REVUIQUISGRPDH-UHFFFAOYSA-N -1 3 384.403 3.001 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833550647 604919529 /nfs/dbraw/zinc/91/95/29/604919529.db2.gz XYSAGGOPZWLSDQ-XJKSGUPXSA-N -1 3 393.447 3.218 20 0 GGADHM C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833407319 604931862 /nfs/dbraw/zinc/93/18/62/604931862.db2.gz BJVHSXXPDMRIKP-OLZOCXBDSA-N -1 3 384.423 3.438 20 0 GGADHM CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833505463 604938572 /nfs/dbraw/zinc/93/85/72/604938572.db2.gz KPQZVDBZAQKHRB-LJQANCHMSA-N -1 3 390.524 3.051 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)NCCCSc2ccccc2)C1 ZINC000833420936 604940366 /nfs/dbraw/zinc/94/03/66/604940366.db2.gz CLQXSJIEFWOPQM-INIZCTEOSA-N -1 3 378.538 3.108 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000833417565 604942402 /nfs/dbraw/zinc/94/24/02/604942402.db2.gz VAWAFBMTFLHBHG-MLGOLLRUSA-N -1 3 382.863 3.407 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000833417566 604942521 /nfs/dbraw/zinc/94/25/21/604942521.db2.gz VAWAFBMTFLHBHG-WBMJQRKESA-N -1 3 382.863 3.407 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N3CCC[C@H](C(C)(C)C(=O)[O-])C3)C2=O)c1 ZINC000833749423 604948858 /nfs/dbraw/zinc/94/88/58/604948858.db2.gz LKGAYSVVRIOZFX-DOTOQJQBSA-N -1 3 376.472 3.452 20 0 GGADHM Cc1cc(C)cc(OCc2noc(CN3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])n2)c1 ZINC000263573728 604963325 /nfs/dbraw/zinc/96/33/25/604963325.db2.gz MSWMKCTYDOBROK-JQHSSLGASA-N -1 3 385.464 3.483 20 0 GGADHM CN(C(=O)CN1CCC[C@@H]1CC(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000833684565 604968073 /nfs/dbraw/zinc/96/80/73/604968073.db2.gz JELZUUDQNSKZTC-DENIHFKCSA-N -1 3 384.451 3.313 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000833413690 604975506 /nfs/dbraw/zinc/97/55/06/604975506.db2.gz FILYEJQKEQWARP-MOPGFXCFSA-N -1 3 387.524 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000833414196 604978180 /nfs/dbraw/zinc/97/81/80/604978180.db2.gz ITTOPDAZYBZFHT-RTBURBONSA-N -1 3 387.524 3.183 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000833549990 604980185 /nfs/dbraw/zinc/98/01/85/604980185.db2.gz UCHPJQPLEIIWSF-QRQLOZEOSA-N -1 3 387.524 3.354 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000833417283 604985240 /nfs/dbraw/zinc/98/52/40/604985240.db2.gz OEPBWYLXMSXWII-RTBURBONSA-N -1 3 387.524 3.183 20 0 GGADHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000833770218 604985485 /nfs/dbraw/zinc/98/54/85/604985485.db2.gz AORHFPJPTRHTEQ-KRWDZBQOSA-N -1 3 394.265 3.367 20 0 GGADHM O=C([O-])CCc1csc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000833240105 604986425 /nfs/dbraw/zinc/98/64/25/604986425.db2.gz NZKHITSPNFLLFY-CYBMUJFWSA-N -1 3 394.522 3.180 20 0 GGADHM O=C([O-])CCc1csc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000833240108 604986478 /nfs/dbraw/zinc/98/64/78/604986478.db2.gz NZKHITSPNFLLFY-ZDUSSCGKSA-N -1 3 394.522 3.180 20 0 GGADHM CC[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825081497 607726778 /nfs/dbraw/zinc/72/67/78/607726778.db2.gz KFFAUIXSMMJLFN-CYBMUJFWSA-N -1 3 383.427 3.215 20 0 GGADHM CC[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825081497 607726779 /nfs/dbraw/zinc/72/67/79/607726779.db2.gz KFFAUIXSMMJLFN-CYBMUJFWSA-N -1 3 383.427 3.215 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CN1Cc1ccccc1 ZINC000833601544 604988347 /nfs/dbraw/zinc/98/83/47/604988347.db2.gz VYCJMOIQLBFIKY-NEWSRXKRSA-N -1 3 387.524 3.182 20 0 GGADHM Cc1oc(NC(=O)COC(=O)C[C@@H]2CCCCC2(C)C)c(-c2nnn[n-]2)c1C ZINC000826342548 607727482 /nfs/dbraw/zinc/72/74/82/607727482.db2.gz PMNNLAJACHLZLI-ZDUSSCGKSA-N -1 3 389.456 3.165 20 0 GGADHM CC1(C)C[C@@H](NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c2ccccc21 ZINC000833556552 605003682 /nfs/dbraw/zinc/00/36/82/605003682.db2.gz CISJVMHBOYKRTO-LJQANCHMSA-N -1 3 387.501 3.198 20 0 GGADHM CCOCCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000825589835 607729754 /nfs/dbraw/zinc/72/97/54/607729754.db2.gz KDJWBFUSXJKNLR-UHFFFAOYSA-N -1 3 390.850 3.248 20 0 GGADHM CCOCCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000825589835 607729755 /nfs/dbraw/zinc/72/97/55/607729755.db2.gz KDJWBFUSXJKNLR-UHFFFAOYSA-N -1 3 390.850 3.248 20 0 GGADHM C[C@]1(NCc2nnc(-c3ccc(Br)o3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569895 605059880 /nfs/dbraw/zinc/05/98/80/605059880.db2.gz QEOCUPMPJTVSDN-VFZGTOFNSA-N -1 3 384.230 3.215 20 0 GGADHM O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826506713 607732638 /nfs/dbraw/zinc/73/26/38/607732638.db2.gz ALMUWZLYDCMQAC-CJNGLKHVSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826506713 607732639 /nfs/dbraw/zinc/73/26/39/607732639.db2.gz ALMUWZLYDCMQAC-CJNGLKHVSA-N -1 3 393.344 3.337 20 0 GGADHM C[C@H](Oc1ccc(CNCc2ccc(Cn3ccccc3=O)cc2)cc1)C(=O)[O-] ZINC000833542364 605083903 /nfs/dbraw/zinc/08/39/03/605083903.db2.gz UWAXAMWBDRHQDX-KRWDZBQOSA-N -1 3 392.455 3.038 20 0 GGADHM O=C([O-])C1CCC(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000833772345 605085485 /nfs/dbraw/zinc/08/54/85/605085485.db2.gz UPUBAMYGDPCHTB-UHFFFAOYSA-N -1 3 376.522 3.107 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000826268314 607733600 /nfs/dbraw/zinc/73/36/00/607733600.db2.gz SEEDEFQQAIFAFH-XHDPSFHLSA-N -1 3 398.467 3.270 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000826268314 607733601 /nfs/dbraw/zinc/73/36/01/607733601.db2.gz SEEDEFQQAIFAFH-XHDPSFHLSA-N -1 3 398.467 3.270 20 0 GGADHM CCC(CC)(CNC(=O)N1CCCN(Cc2ccccc2C)CC1)C(=O)[O-] ZINC000644180962 605098810 /nfs/dbraw/zinc/09/88/10/605098810.db2.gz RHQYJGCSAIGSQV-UHFFFAOYSA-N -1 3 375.513 3.103 20 0 GGADHM CCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000833651714 605108100 /nfs/dbraw/zinc/10/81/00/605108100.db2.gz WTZVNLQHKWDRSW-FQEVSTJZSA-N -1 3 381.476 3.297 20 0 GGADHM CN(C(=O)c1ccncc1)c1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000833686627 605108780 /nfs/dbraw/zinc/10/87/80/605108780.db2.gz BXDAGEMUUKATEY-UHFFFAOYSA-N -1 3 375.428 3.346 20 0 GGADHM CC(C)(CC(=O)[O-])CC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000833454754 605110775 /nfs/dbraw/zinc/11/07/75/605110775.db2.gz NQSJXAZXJBRMTH-KRWDZBQOSA-N -1 3 384.480 3.160 20 0 GGADHM CC(C)(CC(=O)[O-])CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000833455215 605112464 /nfs/dbraw/zinc/11/24/64/605112464.db2.gz UAQLVXKACMTKPS-UHFFFAOYSA-N -1 3 396.915 3.190 20 0 GGADHM CN(Cc1coc(-c2c(F)cccc2F)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825961444 607736069 /nfs/dbraw/zinc/73/60/69/607736069.db2.gz FKUBLVGDHNUZQW-UHFFFAOYSA-N -1 3 382.374 3.432 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2cc(C)cc(C)c2)cc(C(=O)[O-])c1 ZINC000833715640 605136035 /nfs/dbraw/zinc/13/60/35/605136035.db2.gz XPKCAFGSPLZDLK-AWEZNQCLSA-N -1 3 384.432 3.078 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccsc1C(=O)[O-] ZINC000833637626 605142881 /nfs/dbraw/zinc/14/28/81/605142881.db2.gz LYHVWJAIFUXNNH-KRWDZBQOSA-N -1 3 397.884 3.271 20 0 GGADHM CN(C(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686540 605174095 /nfs/dbraw/zinc/17/40/95/605174095.db2.gz YYPKGCDFTWRUIH-APWZRJJASA-N -1 3 382.460 3.105 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000833400043 605179233 /nfs/dbraw/zinc/17/92/33/605179233.db2.gz XNQBJQRONZFTQQ-LJQANCHMSA-N -1 3 383.448 3.025 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000833411713 605181999 /nfs/dbraw/zinc/18/19/99/605181999.db2.gz CZEZPZMQMRCNCY-GOSISDBHSA-N -1 3 376.403 3.023 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000833411719 605182058 /nfs/dbraw/zinc/18/20/58/605182058.db2.gz DBTBXXMNBXCNJR-IBGZPJMESA-N -1 3 388.895 3.440 20 0 GGADHM CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833495857 605200385 /nfs/dbraw/zinc/20/03/85/605200385.db2.gz ZTWOQTRCGXIHDX-MRXNPFEDSA-N -1 3 397.313 3.154 20 0 GGADHM CC(C)CNC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833488562 605200849 /nfs/dbraw/zinc/20/08/49/605200849.db2.gz QPYFPILSOUCQBQ-MRXNPFEDSA-N -1 3 397.313 3.059 20 0 GGADHM CC(C)C(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833463686 605202881 /nfs/dbraw/zinc/20/28/81/605202881.db2.gz PXVKYZSUIALDRX-CJNGLKHVSA-N -1 3 397.313 3.059 20 0 GGADHM CC1(C)CCC(=CC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000824795856 607743429 /nfs/dbraw/zinc/74/34/29/607743429.db2.gz HCFJYLJVMNRZQQ-UHFFFAOYSA-N -1 3 394.523 3.478 20 0 GGADHM CC1(C)CCC(=CC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000824795856 607743430 /nfs/dbraw/zinc/74/34/30/607743430.db2.gz HCFJYLJVMNRZQQ-UHFFFAOYSA-N -1 3 394.523 3.478 20 0 GGADHM Cc1nc(C)n([C@@H]2CCCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755539 605265264 /nfs/dbraw/zinc/26/52/64/605265264.db2.gz QPQGFOSNEGLQHC-CJNGLKHVSA-N -1 3 382.386 3.377 20 0 GGADHM Cc1nc(C)n([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755540 605265269 /nfs/dbraw/zinc/26/52/69/605265269.db2.gz QPQGFOSNEGLQHC-CZUORRHYSA-N -1 3 382.386 3.377 20 0 GGADHM Cc1nc(C)n([C@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755541 605265281 /nfs/dbraw/zinc/26/52/81/605265281.db2.gz QPQGFOSNEGLQHC-XJKSGUPXSA-N -1 3 382.386 3.377 20 0 GGADHM CC(C)N1C(=O)C[C@H](NCc2c[nH]c(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833500550 605267700 /nfs/dbraw/zinc/26/77/00/605267700.db2.gz LXRKNSQKEBLGDD-YJBOKZPZSA-N -1 3 393.846 3.346 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824371564 607744574 /nfs/dbraw/zinc/74/45/74/607744574.db2.gz KEOQBAAMHJDVON-KRWDZBQOSA-N -1 3 390.451 3.103 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824371564 607744575 /nfs/dbraw/zinc/74/45/75/607744575.db2.gz KEOQBAAMHJDVON-KRWDZBQOSA-N -1 3 390.451 3.103 20 0 GGADHM CN(C(=O)CN[C@@H](CN1CCCCC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686550 605269624 /nfs/dbraw/zinc/26/96/24/605269624.db2.gz ZDPQRCVJPSPBLX-FQEVSTJZSA-N -1 3 395.503 3.164 20 0 GGADHM C[C@]1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCC[C@H]1C(=O)[O-] ZINC000833566621 605273099 /nfs/dbraw/zinc/27/30/99/605273099.db2.gz BQVIUSFTWLWTAS-MMOPVJDHSA-N -1 3 376.472 3.187 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824371565 607745562 /nfs/dbraw/zinc/74/55/62/607745562.db2.gz KEOQBAAMHJDVON-QGZVFWFLSA-N -1 3 390.451 3.103 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824371565 607745563 /nfs/dbraw/zinc/74/55/63/607745563.db2.gz KEOQBAAMHJDVON-QGZVFWFLSA-N -1 3 390.451 3.103 20 0 GGADHM COc1cc(OC)c(C2CCN(C[C@H]3CC(C(=O)[O-])=C(C)O3)CC2)c(OC)c1 ZINC000833729040 605320901 /nfs/dbraw/zinc/32/09/01/605320901.db2.gz OXBPAJCIBLZMDK-MRXNPFEDSA-N -1 3 391.464 3.039 20 0 GGADHM CCCN(C(=O)c1cccs1)C1CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)CC1 ZINC000833651691 605358482 /nfs/dbraw/zinc/35/84/82/605358482.db2.gz WDOOGMKLYJTUKX-INIZCTEOSA-N -1 3 392.521 3.212 20 0 GGADHM COc1cc(OC)c(OC)cc1CN(C[C@H]1CC(C(=O)[O-])=C(C)O1)C(C)(C)C ZINC000833728691 605358922 /nfs/dbraw/zinc/35/89/22/605358922.db2.gz JLXGCFBGLHYUFH-OAHLLOKOSA-N -1 3 393.480 3.460 20 0 GGADHM COc1cc(OC)c(CCN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c(OC)c1 ZINC000833729753 605359537 /nfs/dbraw/zinc/35/95/37/605359537.db2.gz YSFQRYJRKUYZIM-GOSISDBHSA-N -1 3 397.830 3.463 20 0 GGADHM CCc1cc(N2CCC(N[C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)ncn1 ZINC000833671175 605361399 /nfs/dbraw/zinc/36/13/99/605361399.db2.gz GNPOLYJQOWIZEN-SFHVURJKSA-N -1 3 392.862 3.216 20 0 GGADHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833650227 605361613 /nfs/dbraw/zinc/36/16/13/605361613.db2.gz YKHDJSWTSJKMRQ-RGYTYGDFSA-N -1 3 382.863 3.232 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833436210 605363544 /nfs/dbraw/zinc/36/35/44/605363544.db2.gz GKQVVAHAMHGSJV-IAQYHMDHSA-N -1 3 386.851 3.451 20 0 GGADHM Fc1cccnc1CNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826378350 607752259 /nfs/dbraw/zinc/75/22/59/607752259.db2.gz GCBMXPMLEULXJE-UHFFFAOYSA-N -1 3 390.422 3.270 20 0 GGADHM Fc1cccnc1CNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826378350 607752260 /nfs/dbraw/zinc/75/22/60/607752260.db2.gz GCBMXPMLEULXJE-UHFFFAOYSA-N -1 3 390.422 3.270 20 0 GGADHM Cc1c(NC(=O)Cc2ccc(Br)c(F)c2)cccc1-c1nnn[n-]1 ZINC000826242110 607755635 /nfs/dbraw/zinc/75/56/35/607755635.db2.gz ZZHWBKXEFDMZQX-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM Cc1c(NC(=O)Cc2ccc(Br)c(F)c2)cccc1-c1nn[n-]n1 ZINC000826242110 607755636 /nfs/dbraw/zinc/75/56/36/607755636.db2.gz ZZHWBKXEFDMZQX-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM CCOCCC1(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000825590062 607758750 /nfs/dbraw/zinc/75/87/50/607758750.db2.gz OHEOMQZWDSZWNE-UHFFFAOYSA-N -1 3 391.475 3.470 20 0 GGADHM CCOCCC1(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000825590062 607758751 /nfs/dbraw/zinc/75/87/51/607758751.db2.gz OHEOMQZWDSZWNE-UHFFFAOYSA-N -1 3 391.475 3.470 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2cccs2)cc1-c1nnn[n-]1 ZINC000825532309 607759476 /nfs/dbraw/zinc/75/94/76/607759476.db2.gz RTPGUPMMBMBVPC-VURMDHGXSA-N -1 3 384.421 3.149 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2cccs2)cc1-c1nn[n-]n1 ZINC000825532309 607759477 /nfs/dbraw/zinc/75/94/77/607759477.db2.gz RTPGUPMMBMBVPC-VURMDHGXSA-N -1 3 384.421 3.149 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC000825544504 607760390 /nfs/dbraw/zinc/76/03/90/607760390.db2.gz AKVYAKWVTOMBOY-UHFFFAOYSA-N -1 3 391.391 3.169 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000825544504 607760391 /nfs/dbraw/zinc/76/03/91/607760391.db2.gz AKVYAKWVTOMBOY-UHFFFAOYSA-N -1 3 391.391 3.169 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000825539566 607765524 /nfs/dbraw/zinc/76/55/24/607765524.db2.gz QLWLUKQMHZVCHF-NWDGAFQWSA-N -1 3 387.444 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000825539566 607765525 /nfs/dbraw/zinc/76/55/25/607765525.db2.gz QLWLUKQMHZVCHF-NWDGAFQWSA-N -1 3 387.444 3.135 20 0 GGADHM CCc1ncc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000825749791 607769666 /nfs/dbraw/zinc/76/96/66/607769666.db2.gz HTYIGRABMGVNGU-UHFFFAOYSA-N -1 3 383.462 3.261 20 0 GGADHM CCc1ncc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000825749791 607769667 /nfs/dbraw/zinc/76/96/67/607769667.db2.gz HTYIGRABMGVNGU-UHFFFAOYSA-N -1 3 383.462 3.261 20 0 GGADHM CC(C)c1nn(C)cc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824364787 607770328 /nfs/dbraw/zinc/77/03/28/607770328.db2.gz UPSRNVMLBRJDMY-UHFFFAOYSA-N -1 3 394.464 3.099 20 0 GGADHM CC(C)c1nn(C)cc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824364787 607770329 /nfs/dbraw/zinc/77/03/29/607770329.db2.gz UPSRNVMLBRJDMY-UHFFFAOYSA-N -1 3 394.464 3.099 20 0 GGADHM Cc1nc(C)c(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000822427400 606021810 /nfs/dbraw/zinc/02/18/10/606021810.db2.gz MEQNZOPNHQKDQE-UHFFFAOYSA-N -1 3 380.433 3.130 20 0 GGADHM O=C(CSCc1cccc(OC(F)F)c1)Nc1sccc1-c1nnn[n-]1 ZINC000823060706 606023214 /nfs/dbraw/zinc/02/32/14/606023214.db2.gz IGNMKHHHISVOHE-UHFFFAOYSA-N -1 3 397.432 3.402 20 0 GGADHM O=C(CSCc1cccc(OC(F)F)c1)Nc1sccc1-c1nn[n-]n1 ZINC000823060706 606023218 /nfs/dbraw/zinc/02/32/18/606023218.db2.gz IGNMKHHHISVOHE-UHFFFAOYSA-N -1 3 397.432 3.402 20 0 GGADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820989158 606029835 /nfs/dbraw/zinc/02/98/35/606029835.db2.gz MVOHIUIIKDDZML-AEFFLSMTSA-N -1 3 391.475 3.288 20 0 GGADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820989158 606029839 /nfs/dbraw/zinc/02/98/39/606029839.db2.gz MVOHIUIIKDDZML-AEFFLSMTSA-N -1 3 391.475 3.288 20 0 GGADHM CC[C@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820989275 606030613 /nfs/dbraw/zinc/03/06/13/606030613.db2.gz PPHVWEGREZOWDQ-OXJNMPFZSA-N -1 3 390.491 3.321 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822230299 606031747 /nfs/dbraw/zinc/03/17/47/606031747.db2.gz BWINMVCNPYJFMF-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822230299 606031752 /nfs/dbraw/zinc/03/17/52/606031752.db2.gz BWINMVCNPYJFMF-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM COCCOc1ccccc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821694006 606054991 /nfs/dbraw/zinc/05/49/91/606054991.db2.gz YYJKDORSYRWXOO-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM COCCOc1ccccc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821694006 606054997 /nfs/dbraw/zinc/05/49/97/606054997.db2.gz YYJKDORSYRWXOO-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM CCc1ccc(O)c(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000821487476 606055346 /nfs/dbraw/zinc/05/53/46/606055346.db2.gz UQHJVUSBNPGDAM-SFHVURJKSA-N -1 3 381.436 3.177 20 0 GGADHM CCc1ccc(O)c(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000821487476 606055352 /nfs/dbraw/zinc/05/53/52/606055352.db2.gz UQHJVUSBNPGDAM-SFHVURJKSA-N -1 3 381.436 3.177 20 0 GGADHM COc1ccccc1OCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821904574 606075269 /nfs/dbraw/zinc/07/52/69/606075269.db2.gz XNKKYRRZPMVBHU-UHFFFAOYSA-N -1 3 376.420 3.305 20 0 GGADHM COc1ccccc1OCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821904574 606075273 /nfs/dbraw/zinc/07/52/73/606075273.db2.gz XNKKYRRZPMVBHU-UHFFFAOYSA-N -1 3 376.420 3.305 20 0 GGADHM CN(C)[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000821581543 606086135 /nfs/dbraw/zinc/08/61/35/606086135.db2.gz OGUZWXFXAYUUNQ-QGZVFWFLSA-N -1 3 395.417 3.408 20 0 GGADHM CN(C)[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000821581543 606086139 /nfs/dbraw/zinc/08/61/39/606086139.db2.gz OGUZWXFXAYUUNQ-QGZVFWFLSA-N -1 3 395.417 3.408 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000820537015 606104321 /nfs/dbraw/zinc/10/43/21/606104321.db2.gz ZTRIBKGTKWWHIU-XYJFISCASA-N -1 3 391.475 3.114 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000820537015 606104323 /nfs/dbraw/zinc/10/43/23/606104323.db2.gz ZTRIBKGTKWWHIU-XYJFISCASA-N -1 3 391.475 3.114 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000820537010 606104530 /nfs/dbraw/zinc/10/45/30/606104530.db2.gz ZTRIBKGTKWWHIU-RYRKJORJSA-N -1 3 391.475 3.114 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000820537010 606104531 /nfs/dbraw/zinc/10/45/31/606104531.db2.gz ZTRIBKGTKWWHIU-RYRKJORJSA-N -1 3 391.475 3.114 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822558370 606107864 /nfs/dbraw/zinc/10/78/64/606107864.db2.gz PNFYKAJGLVSNQA-NSHDSACASA-N -1 3 382.493 3.497 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)c3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822558370 606107865 /nfs/dbraw/zinc/10/78/65/606107865.db2.gz PNFYKAJGLVSNQA-NSHDSACASA-N -1 3 382.493 3.497 20 0 GGADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1sccc1-c1nnn[n-]1 ZINC000823350368 606108878 /nfs/dbraw/zinc/10/88/78/606108878.db2.gz KPBHQVPWXRGXTO-UHFFFAOYSA-N -1 3 396.407 3.294 20 0 GGADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1sccc1-c1nn[n-]n1 ZINC000823350368 606108882 /nfs/dbraw/zinc/10/88/82/606108882.db2.gz KPBHQVPWXRGXTO-UHFFFAOYSA-N -1 3 396.407 3.294 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@H](C)Cc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822559179 606110987 /nfs/dbraw/zinc/11/09/87/606110987.db2.gz XHTWVMQYUVZUTI-LLVKDONJSA-N -1 3 382.493 3.182 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@H](C)Cc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822559179 606110988 /nfs/dbraw/zinc/11/09/88/606110988.db2.gz XHTWVMQYUVZUTI-LLVKDONJSA-N -1 3 382.493 3.182 20 0 GGADHM O=C(CN(c1ccccc1F)C1CCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000822992136 606114297 /nfs/dbraw/zinc/11/42/97/606114297.db2.gz JHHYBBASQJHKPZ-UHFFFAOYSA-N -1 3 386.456 3.455 20 0 GGADHM O=C(CN(c1ccccc1F)C1CCCC1)Nc1sccc1-c1nn[n-]n1 ZINC000822992136 606114299 /nfs/dbraw/zinc/11/42/99/606114299.db2.gz JHHYBBASQJHKPZ-UHFFFAOYSA-N -1 3 386.456 3.455 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820643131 606116910 /nfs/dbraw/zinc/11/69/10/606116910.db2.gz QNKKSFBQIHUFQC-YJBOKZPZSA-N -1 3 376.464 3.029 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820643131 606116913 /nfs/dbraw/zinc/11/69/13/606116913.db2.gz QNKKSFBQIHUFQC-YJBOKZPZSA-N -1 3 376.464 3.029 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000821988777 606120513 /nfs/dbraw/zinc/12/05/13/606120513.db2.gz GXYFJNWMWLFWKZ-STQMWFEESA-N -1 3 384.509 3.123 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000822217646 606120936 /nfs/dbraw/zinc/12/09/36/606120936.db2.gz KHDISWZISBEPQK-OIJAAMDRSA-N -1 3 398.492 3.137 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000822217646 606120938 /nfs/dbraw/zinc/12/09/38/606120938.db2.gz KHDISWZISBEPQK-OIJAAMDRSA-N -1 3 398.492 3.137 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000822217645 606120945 /nfs/dbraw/zinc/12/09/45/606120945.db2.gz KHDISWZISBEPQK-DBDZUICISA-N -1 3 398.492 3.137 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000822217645 606120946 /nfs/dbraw/zinc/12/09/46/606120946.db2.gz KHDISWZISBEPQK-DBDZUICISA-N -1 3 398.492 3.137 20 0 GGADHM O=C(c1ccc(COc2ccccc2-c2nnn[n-]2)o1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823488882 606121033 /nfs/dbraw/zinc/12/10/33/606121033.db2.gz XIFIYNLSKFULBH-GJZGRUSLSA-N -1 3 393.447 3.301 20 0 GGADHM O=C(c1ccc(COc2ccccc2-c2nn[n-]n2)o1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823488882 606121034 /nfs/dbraw/zinc/12/10/34/606121034.db2.gz XIFIYNLSKFULBH-GJZGRUSLSA-N -1 3 393.447 3.301 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823498572 606121102 /nfs/dbraw/zinc/12/11/02/606121102.db2.gz UUWPOIUQIQEJJN-IYBDPMFKSA-N -1 3 393.447 3.301 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823498572 606121103 /nfs/dbraw/zinc/12/11/03/606121103.db2.gz UUWPOIUQIQEJJN-IYBDPMFKSA-N -1 3 393.447 3.301 20 0 GGADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823488424 606121111 /nfs/dbraw/zinc/12/11/11/606121111.db2.gz MDFLSRHWLABZRE-IYBDPMFKSA-N -1 3 393.447 3.301 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821453437 606121690 /nfs/dbraw/zinc/12/16/90/606121690.db2.gz AGKDVZJPDIRUNE-JKSUJKDBSA-N -1 3 391.566 3.280 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821453437 606121691 /nfs/dbraw/zinc/12/16/91/606121691.db2.gz AGKDVZJPDIRUNE-JKSUJKDBSA-N -1 3 391.566 3.280 20 0 GGADHM C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000820334526 606123068 /nfs/dbraw/zinc/12/30/68/606123068.db2.gz MZLCUZGENYXWCM-LSDHHAIUSA-N -1 3 381.505 3.408 20 0 GGADHM C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000820334526 606123069 /nfs/dbraw/zinc/12/30/69/606123069.db2.gz MZLCUZGENYXWCM-LSDHHAIUSA-N -1 3 381.505 3.408 20 0 GGADHM COCCCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821688300 606127703 /nfs/dbraw/zinc/12/77/03/606127703.db2.gz GCDQRDNUGFAOMD-AWEZNQCLSA-N -1 3 382.420 3.200 20 0 GGADHM COCCCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821688300 606127704 /nfs/dbraw/zinc/12/77/04/606127704.db2.gz GCDQRDNUGFAOMD-AWEZNQCLSA-N -1 3 382.420 3.200 20 0 GGADHM Cc1csc([C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C(F)(F)F)n1 ZINC000822408332 606128926 /nfs/dbraw/zinc/12/89/26/606128926.db2.gz BOEBFIATXIMPMA-FWWRYZNZSA-N -1 3 395.366 3.492 20 0 GGADHM Cc1csc([C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C(F)(F)F)n1 ZINC000822408332 606128927 /nfs/dbraw/zinc/12/89/27/606128927.db2.gz BOEBFIATXIMPMA-FWWRYZNZSA-N -1 3 395.366 3.492 20 0 GGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)C1CC(OCc2ccccc2)C1 ZINC000823414359 606131589 /nfs/dbraw/zinc/13/15/89/606131589.db2.gz VSRCNDCKKYWMLN-UHFFFAOYSA-N -1 3 382.395 3.044 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)C1CC(OCc2ccccc2)C1 ZINC000823414359 606131591 /nfs/dbraw/zinc/13/15/91/606131591.db2.gz VSRCNDCKKYWMLN-UHFFFAOYSA-N -1 3 382.395 3.044 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@]4(CCCOC4)C3)c2c1 ZINC000822582868 606142273 /nfs/dbraw/zinc/14/22/73/606142273.db2.gz ZKHMOBBZOMPGDU-IBGZPJMESA-N -1 3 384.871 3.465 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@]4(CCCOC4)C3)c2c1 ZINC000822582868 606142274 /nfs/dbraw/zinc/14/22/74/606142274.db2.gz ZKHMOBBZOMPGDU-IBGZPJMESA-N -1 3 384.871 3.465 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000821160979 606143747 /nfs/dbraw/zinc/14/37/47/606143747.db2.gz SJAKXUCZRSMVIT-ZDUSSCGKSA-N -1 3 389.456 3.086 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000821160979 606143748 /nfs/dbraw/zinc/14/37/48/606143748.db2.gz SJAKXUCZRSMVIT-ZDUSSCGKSA-N -1 3 389.456 3.086 20 0 GGADHM CC(C)(C)c1ccc(C(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819958130 606144447 /nfs/dbraw/zinc/14/44/47/606144447.db2.gz JADILMIKVNYYPX-UHFFFAOYSA-N -1 3 378.432 3.133 20 0 GGADHM CC(C)(C)c1ccc(C(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819958130 606144448 /nfs/dbraw/zinc/14/44/48/606144448.db2.gz JADILMIKVNYYPX-UHFFFAOYSA-N -1 3 378.432 3.133 20 0 GGADHM COc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000821911557 606146343 /nfs/dbraw/zinc/14/63/43/606146343.db2.gz YCBBTYKSUOSDEH-QMMMGPOBSA-N -1 3 375.479 3.375 20 0 GGADHM COc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000821911557 606146344 /nfs/dbraw/zinc/14/63/44/606146344.db2.gz YCBBTYKSUOSDEH-QMMMGPOBSA-N -1 3 375.479 3.375 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC(=O)c1ccc(Cl)cc1Cl ZINC000823108329 606146903 /nfs/dbraw/zinc/14/69/03/606146903.db2.gz LVSXXNDBJOUOSF-UHFFFAOYSA-N -1 3 391.214 3.142 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC(=O)c1ccc(Cl)cc1Cl ZINC000823108329 606146905 /nfs/dbraw/zinc/14/69/05/606146905.db2.gz LVSXXNDBJOUOSF-UHFFFAOYSA-N -1 3 391.214 3.142 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823303334 606154233 /nfs/dbraw/zinc/15/42/33/606154233.db2.gz GJSPOJMCJKEHCB-CQSZACIVSA-N -1 3 391.357 3.413 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823303334 606154234 /nfs/dbraw/zinc/15/42/34/606154234.db2.gz GJSPOJMCJKEHCB-CQSZACIVSA-N -1 3 391.357 3.413 20 0 GGADHM CO[C@@H](C)c1noc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000821675522 606156830 /nfs/dbraw/zinc/15/68/30/606156830.db2.gz NITXOMKZIVQTJX-LBPRGKRZSA-N -1 3 393.407 3.362 20 0 GGADHM FC(F)(F)c1cccc([C@@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000822728338 606160021 /nfs/dbraw/zinc/16/00/21/606160021.db2.gz HPCCJEPNWJHEHL-KRWDZBQOSA-N -1 3 389.381 3.459 20 0 GGADHM CC(C)c1cnc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n1C ZINC000820198482 606172645 /nfs/dbraw/zinc/17/26/45/606172645.db2.gz XOEZSLSOCZGYPT-UHFFFAOYSA-N -1 3 382.453 3.066 20 0 GGADHM CC(C)c1cnc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n1C ZINC000820198482 606172646 /nfs/dbraw/zinc/17/26/46/606172646.db2.gz XOEZSLSOCZGYPT-UHFFFAOYSA-N -1 3 382.453 3.066 20 0 GGADHM CC(C)N1CC[C@H](Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1=O ZINC000820126585 606172861 /nfs/dbraw/zinc/17/28/61/606172861.db2.gz AJRPXOMUVIMSPI-SFHVURJKSA-N -1 3 378.436 3.080 20 0 GGADHM CC(C)N1CC[C@H](Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1=O ZINC000820126585 606172863 /nfs/dbraw/zinc/17/28/63/606172863.db2.gz AJRPXOMUVIMSPI-SFHVURJKSA-N -1 3 378.436 3.080 20 0 GGADHM CO[C@H](C)c1nc(CSCCOc2ccccc2-c2nnn[n-]2)cs1 ZINC000821675093 606179570 /nfs/dbraw/zinc/17/95/70/606179570.db2.gz CUAPWTSLTMIYOL-LLVKDONJSA-N -1 3 377.495 3.343 20 0 GGADHM CO[C@H](C)c1nc(CSCCOc2ccccc2-c2nn[n-]n2)cs1 ZINC000821675093 606179572 /nfs/dbraw/zinc/17/95/72/606179572.db2.gz CUAPWTSLTMIYOL-LLVKDONJSA-N -1 3 377.495 3.343 20 0 GGADHM Cc1oc(-c2cccs2)nc1C[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822535050 606180291 /nfs/dbraw/zinc/18/02/91/606180291.db2.gz FMWGAZUBNHQKQA-SANMLTNESA-N -1 3 385.474 3.341 20 0 GGADHM Cc1oc(-c2cccs2)nc1C[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822535050 606180292 /nfs/dbraw/zinc/18/02/92/606180292.db2.gz FMWGAZUBNHQKQA-SANMLTNESA-N -1 3 385.474 3.341 20 0 GGADHM C[C@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCOC1 ZINC000820512056 606181623 /nfs/dbraw/zinc/18/16/23/606181623.db2.gz GDSVLIMBGOSYEZ-KSSFIOAISA-N -1 3 394.431 3.028 20 0 GGADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCOC1 ZINC000820512988 606181633 /nfs/dbraw/zinc/18/16/33/606181633.db2.gz RRNRVAGHDCEXEO-BBRMVZONSA-N -1 3 380.404 3.241 20 0 GGADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCOC1 ZINC000820512988 606181634 /nfs/dbraw/zinc/18/16/34/606181634.db2.gz RRNRVAGHDCEXEO-BBRMVZONSA-N -1 3 380.404 3.241 20 0 GGADHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCOC1 ZINC000820513138 606182077 /nfs/dbraw/zinc/18/20/77/606182077.db2.gz VMYBLJBHIFXPKB-KSSFIOAISA-N -1 3 394.431 3.028 20 0 GGADHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1CCOC1 ZINC000820513138 606182079 /nfs/dbraw/zinc/18/20/79/606182079.db2.gz VMYBLJBHIFXPKB-KSSFIOAISA-N -1 3 394.431 3.028 20 0 GGADHM C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCOC1 ZINC000820513022 606182180 /nfs/dbraw/zinc/18/21/80/606182180.db2.gz SHLULJDREUIYAK-GDBMZVCRSA-N -1 3 394.431 3.028 20 0 GGADHM C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000820513022 606182181 /nfs/dbraw/zinc/18/21/81/606182181.db2.gz SHLULJDREUIYAK-GDBMZVCRSA-N -1 3 394.431 3.028 20 0 GGADHM CCOc1cccc([C@@H](CC)OC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821427394 606182420 /nfs/dbraw/zinc/18/24/20/606182420.db2.gz RYUHOMOCKSYXPC-GOSISDBHSA-N -1 3 382.420 3.339 20 0 GGADHM CCOc1cccc([C@@H](CC)OC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821427394 606182422 /nfs/dbraw/zinc/18/24/22/606182422.db2.gz RYUHOMOCKSYXPC-GOSISDBHSA-N -1 3 382.420 3.339 20 0 GGADHM Cc1ccc2c(c1)N(C(=O)CSCc1ccc(-c3nnn[n-]3)cc1)C[C@H](C)O2 ZINC000822279996 606183308 /nfs/dbraw/zinc/18/33/08/606183308.db2.gz HBTKHKGARNRXCG-AWEZNQCLSA-N -1 3 395.488 3.222 20 0 GGADHM Cc1ccc2c(c1)N(C(=O)CSCc1ccc(-c3nn[n-]n3)cc1)C[C@H](C)O2 ZINC000822279996 606183309 /nfs/dbraw/zinc/18/33/09/606183309.db2.gz HBTKHKGARNRXCG-AWEZNQCLSA-N -1 3 395.488 3.222 20 0 GGADHM C[C@H]1CSc2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820813658 606190076 /nfs/dbraw/zinc/19/00/76/606190076.db2.gz LQGBNXYGERYSIW-LBPRGKRZSA-N -1 3 383.502 3.486 20 0 GGADHM C[C@H]1CSc2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820813658 606190077 /nfs/dbraw/zinc/19/00/77/606190077.db2.gz LQGBNXYGERYSIW-LBPRGKRZSA-N -1 3 383.502 3.486 20 0 GGADHM C/C=C(\C)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820828049 606191621 /nfs/dbraw/zinc/19/16/21/606191621.db2.gz ZRFRFXLLWUCQIU-LLMHMKPQSA-N -1 3 389.481 3.034 20 0 GGADHM C/C=C(\C)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820828049 606191622 /nfs/dbraw/zinc/19/16/22/606191622.db2.gz ZRFRFXLLWUCQIU-LLMHMKPQSA-N -1 3 389.481 3.034 20 0 GGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000822419258 606193090 /nfs/dbraw/zinc/19/30/90/606193090.db2.gz OLSLPLZQKJHNGV-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000822419258 606193092 /nfs/dbraw/zinc/19/30/92/606193092.db2.gz OLSLPLZQKJHNGV-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM COCc1nc2cc(NC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2o1 ZINC000821696796 606193980 /nfs/dbraw/zinc/19/39/80/606193980.db2.gz QCUGAKIBYOXCJG-UHFFFAOYSA-N -1 3 399.798 3.452 20 0 GGADHM COCc1nc2cc(NC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2o1 ZINC000821696796 606193982 /nfs/dbraw/zinc/19/39/82/606193982.db2.gz QCUGAKIBYOXCJG-UHFFFAOYSA-N -1 3 399.798 3.452 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823309006 606194609 /nfs/dbraw/zinc/19/46/09/606194609.db2.gz OZXSUYRGDQNHNR-LSDHHAIUSA-N -1 3 384.465 3.048 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823309006 606194610 /nfs/dbraw/zinc/19/46/10/606194610.db2.gz OZXSUYRGDQNHNR-LSDHHAIUSA-N -1 3 384.465 3.048 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821688331 606195589 /nfs/dbraw/zinc/19/55/89/606195589.db2.gz HJWKTQBBQPORFS-AWEZNQCLSA-N -1 3 396.451 3.165 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821688331 606195590 /nfs/dbraw/zinc/19/55/90/606195590.db2.gz HJWKTQBBQPORFS-AWEZNQCLSA-N -1 3 396.451 3.165 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823257864 606196028 /nfs/dbraw/zinc/19/60/28/606196028.db2.gz WGVIAVZFHPLFKC-UHFFFAOYSA-N -1 3 375.392 3.207 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823257864 606196030 /nfs/dbraw/zinc/19/60/30/606196030.db2.gz WGVIAVZFHPLFKC-UHFFFAOYSA-N -1 3 375.392 3.207 20 0 GGADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000822557940 606200943 /nfs/dbraw/zinc/20/09/43/606200943.db2.gz KYFPJKMKRUJEFG-NSHDSACASA-N -1 3 388.472 3.316 20 0 GGADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccccc2F)c(-c2nn[n-]n2)c1C ZINC000822557940 606200945 /nfs/dbraw/zinc/20/09/45/606200945.db2.gz KYFPJKMKRUJEFG-NSHDSACASA-N -1 3 388.472 3.316 20 0 GGADHM CC(C)=C(C)C(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820004952 606201490 /nfs/dbraw/zinc/20/14/90/606201490.db2.gz GDSLZAXIDGIHBT-UHFFFAOYSA-N -1 3 387.494 3.305 20 0 GGADHM CC(C)=C(C)C(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820004952 606201492 /nfs/dbraw/zinc/20/14/92/606201492.db2.gz GDSLZAXIDGIHBT-UHFFFAOYSA-N -1 3 387.494 3.305 20 0 GGADHM COc1cccc(C(C)=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000821859485 606209060 /nfs/dbraw/zinc/20/90/60/606209060.db2.gz OTXFTBJJKLJAHU-PKNBQFBNSA-N -1 3 381.461 3.468 20 0 GGADHM COc1cccc(C(C)=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000821859485 606209061 /nfs/dbraw/zinc/20/90/61/606209061.db2.gz OTXFTBJJKLJAHU-PKNBQFBNSA-N -1 3 381.461 3.468 20 0 GGADHM CCCOc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1OCCC ZINC000821133835 606210227 /nfs/dbraw/zinc/21/02/27/606210227.db2.gz GSMKBGSSTRVQMV-UHFFFAOYSA-N -1 3 384.440 3.035 20 0 GGADHM CCCOc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1OCCC ZINC000821133835 606210228 /nfs/dbraw/zinc/21/02/28/606210228.db2.gz GSMKBGSSTRVQMV-UHFFFAOYSA-N -1 3 384.440 3.035 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc2c(cccc2C(F)(F)F)s1 ZINC000822655438 606214143 /nfs/dbraw/zinc/21/41/43/606214143.db2.gz ITAYEWKLKSZCLG-UHFFFAOYSA-N -1 3 393.354 3.086 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc2c(cccc2C(F)(F)F)s1 ZINC000822655438 606214144 /nfs/dbraw/zinc/21/41/44/606214144.db2.gz ITAYEWKLKSZCLG-UHFFFAOYSA-N -1 3 393.354 3.086 20 0 GGADHM O=C(OCC[C@@H]1CCCC1=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823401579 606227303 /nfs/dbraw/zinc/22/73/03/606227303.db2.gz XIPASKRLMFZJEU-AWEZNQCLSA-N -1 3 376.416 3.450 20 0 GGADHM O=C(OCC[C@@H]1CCCC1=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823401579 606227305 /nfs/dbraw/zinc/22/73/05/606227305.db2.gz XIPASKRLMFZJEU-AWEZNQCLSA-N -1 3 376.416 3.450 20 0 GGADHM CC(C)C(=O)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820005435 606236484 /nfs/dbraw/zinc/23/64/84/606236484.db2.gz QPSWINALFRZXNF-UHFFFAOYSA-N -1 3 382.445 3.400 20 0 GGADHM CC(C)C(=O)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820005435 606236485 /nfs/dbraw/zinc/23/64/85/606236485.db2.gz QPSWINALFRZXNF-UHFFFAOYSA-N -1 3 382.445 3.400 20 0 GGADHM C[C@H](Nc1ccc(OC2CCC2)c(F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820456164 606239403 /nfs/dbraw/zinc/23/94/03/606239403.db2.gz QWXOABNEVANFGI-LBPRGKRZSA-N -1 3 396.426 3.376 20 0 GGADHM C[C@H](Nc1ccc(OC2CCC2)c(F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820456164 606239404 /nfs/dbraw/zinc/23/94/04/606239404.db2.gz QWXOABNEVANFGI-LBPRGKRZSA-N -1 3 396.426 3.376 20 0 GGADHM CC(C)CCOc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820076169 606239794 /nfs/dbraw/zinc/23/97/94/606239794.db2.gz DXPGMOZZCWNOOD-AWEZNQCLSA-N -1 3 382.468 3.121 20 0 GGADHM CC(C)CCOc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820076169 606239795 /nfs/dbraw/zinc/23/97/95/606239795.db2.gz DXPGMOZZCWNOOD-AWEZNQCLSA-N -1 3 382.468 3.121 20 0 GGADHM CCN(C[C@@H](O)c1ccc(C)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821169802 606241389 /nfs/dbraw/zinc/24/13/89/606241389.db2.gz DUKDNOKHIKJXRL-CQSZACIVSA-N -1 3 392.385 3.149 20 0 GGADHM CCN(C[C@@H](O)c1ccc(C)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821169802 606241391 /nfs/dbraw/zinc/24/13/91/606241391.db2.gz DUKDNOKHIKJXRL-CQSZACIVSA-N -1 3 392.385 3.149 20 0 GGADHM O=C1[C@@H](Nc2cccc(C(F)(F)F)c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823511273 606242691 /nfs/dbraw/zinc/24/26/91/606242691.db2.gz FMHYMJCTKAUZOJ-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM O=C1[C@@H](Nc2cccc(C(F)(F)F)c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823511273 606242693 /nfs/dbraw/zinc/24/26/93/606242693.db2.gz FMHYMJCTKAUZOJ-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM Cc1nc2ccc(N[C@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)cc2s1 ZINC000822464042 606245552 /nfs/dbraw/zinc/24/55/52/606245552.db2.gz ZCSPWYQKWQWPAC-ZDUSSCGKSA-N -1 3 397.489 3.064 20 0 GGADHM Cc1nc2ccc(N[C@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)cc2s1 ZINC000822464042 606245553 /nfs/dbraw/zinc/24/55/53/606245553.db2.gz ZCSPWYQKWQWPAC-ZDUSSCGKSA-N -1 3 397.489 3.064 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823350254 606246068 /nfs/dbraw/zinc/24/60/68/606246068.db2.gz GFMPUXNZFSKYSA-RTBURBONSA-N -1 3 375.432 3.430 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823350254 606246069 /nfs/dbraw/zinc/24/60/69/606246069.db2.gz GFMPUXNZFSKYSA-RTBURBONSA-N -1 3 375.432 3.430 20 0 GGADHM CCCOc1cc(C)ccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821127591 606246812 /nfs/dbraw/zinc/24/68/12/606246812.db2.gz KFXOUDMDYJTAKQ-SFHVURJKSA-N -1 3 392.463 3.181 20 0 GGADHM CCCOc1cc(C)ccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821127591 606246813 /nfs/dbraw/zinc/24/68/13/606246813.db2.gz KFXOUDMDYJTAKQ-SFHVURJKSA-N -1 3 392.463 3.181 20 0 GGADHM O=C(CCOCC1CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822974564 606247399 /nfs/dbraw/zinc/24/73/99/606247399.db2.gz RTQBBHCGBIPYNN-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM O=C(CCOCC1CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822974564 606247400 /nfs/dbraw/zinc/24/74/00/606247400.db2.gz RTQBBHCGBIPYNN-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM CCOCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821378427 606247854 /nfs/dbraw/zinc/24/78/54/606247854.db2.gz OBIJTHUGKUNZAD-UHFFFAOYSA-N -1 3 383.477 3.174 20 0 GGADHM CCOCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821378427 606247856 /nfs/dbraw/zinc/24/78/56/606247856.db2.gz OBIJTHUGKUNZAD-UHFFFAOYSA-N -1 3 383.477 3.174 20 0 GGADHM COCCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821687202 606258167 /nfs/dbraw/zinc/25/81/67/606258167.db2.gz TUYQKDXFIXPCRR-UHFFFAOYSA-N -1 3 383.477 3.174 20 0 GGADHM COCCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821687202 606258168 /nfs/dbraw/zinc/25/81/68/606258168.db2.gz TUYQKDXFIXPCRR-UHFFFAOYSA-N -1 3 383.477 3.174 20 0 GGADHM COc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)c1 ZINC000821877837 606260922 /nfs/dbraw/zinc/26/09/22/606260922.db2.gz WXFNXYITDNFFAL-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM COc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)c1 ZINC000821877837 606260924 /nfs/dbraw/zinc/26/09/24/606260924.db2.gz WXFNXYITDNFFAL-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM O=C(NCCSCc1cccc2ccccc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823219781 606261580 /nfs/dbraw/zinc/26/15/80/606261580.db2.gz QGXABXLTDMSAFR-UHFFFAOYSA-N -1 3 378.461 3.011 20 0 GGADHM O=C(NCCSCc1cccc2ccccc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823219781 606261581 /nfs/dbraw/zinc/26/15/81/606261581.db2.gz QGXABXLTDMSAFR-UHFFFAOYSA-N -1 3 378.461 3.011 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OCc2ccccc2)nc1 ZINC000823346350 606264625 /nfs/dbraw/zinc/26/46/25/606264625.db2.gz MCHCQGXFWZHJHR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OCc2ccccc2)nc1 ZINC000823346350 606264627 /nfs/dbraw/zinc/26/46/27/606264627.db2.gz MCHCQGXFWZHJHR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000823346034 606265614 /nfs/dbraw/zinc/26/56/14/606265614.db2.gz GPZOEVDPLSUEMP-UHFFFAOYSA-N -1 3 391.366 3.186 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000823346034 606265617 /nfs/dbraw/zinc/26/56/17/606265617.db2.gz GPZOEVDPLSUEMP-UHFFFAOYSA-N -1 3 391.366 3.186 20 0 GGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1Cl ZINC000822210435 606266888 /nfs/dbraw/zinc/26/68/88/606266888.db2.gz AVSNDLQVQDHTOW-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1Cl ZINC000822210435 606266890 /nfs/dbraw/zinc/26/68/90/606266890.db2.gz AVSNDLQVQDHTOW-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000820549542 606272107 /nfs/dbraw/zinc/27/21/07/606272107.db2.gz ORYABOQIEMHDAE-SNVBAGLBSA-N -1 3 397.439 3.315 20 0 GGADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000820549542 606272109 /nfs/dbraw/zinc/27/21/09/606272109.db2.gz ORYABOQIEMHDAE-SNVBAGLBSA-N -1 3 397.439 3.315 20 0 GGADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823261354 606273663 /nfs/dbraw/zinc/27/36/63/606273663.db2.gz IWJNITLDVLPERA-UHFFFAOYSA-N -1 3 378.367 3.056 20 0 GGADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823261354 606273665 /nfs/dbraw/zinc/27/36/65/606273665.db2.gz IWJNITLDVLPERA-UHFFFAOYSA-N -1 3 378.367 3.056 20 0 GGADHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823363805 606276446 /nfs/dbraw/zinc/27/64/46/606276446.db2.gz OGMLFODHZJCKPN-NDEPHWFRSA-N -1 3 398.492 3.029 20 0 GGADHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823363805 606276447 /nfs/dbraw/zinc/27/64/47/606276447.db2.gz OGMLFODHZJCKPN-NDEPHWFRSA-N -1 3 398.492 3.029 20 0 GGADHM COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821794948 606280755 /nfs/dbraw/zinc/28/07/55/606280755.db2.gz QUMIMNBVWMTADX-UHFFFAOYSA-N -1 3 388.431 3.046 20 0 GGADHM COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821794948 606280757 /nfs/dbraw/zinc/28/07/57/606280757.db2.gz QUMIMNBVWMTADX-UHFFFAOYSA-N -1 3 388.431 3.046 20 0 GGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820612716 606281197 /nfs/dbraw/zinc/28/11/97/606281197.db2.gz HOXSTRKPIVVRPD-QFIPXVFZSA-N -1 3 375.476 3.281 20 0 GGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820612716 606281199 /nfs/dbraw/zinc/28/11/99/606281199.db2.gz HOXSTRKPIVVRPD-QFIPXVFZSA-N -1 3 375.476 3.281 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CNc1c(C)cccc1C ZINC000821123065 606281593 /nfs/dbraw/zinc/28/15/93/606281593.db2.gz JOXNVHLOAIZNQR-UHFFFAOYSA-N -1 3 379.468 3.356 20 0 GGADHM CCN(c1ccccc1)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821241285 606285672 /nfs/dbraw/zinc/28/56/72/606285672.db2.gz LNKHYMDMCRDTDX-UHFFFAOYSA-N -1 3 387.447 3.283 20 0 GGADHM CCN(c1ccccc1)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821241285 606285673 /nfs/dbraw/zinc/28/56/73/606285673.db2.gz LNKHYMDMCRDTDX-UHFFFAOYSA-N -1 3 387.447 3.283 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820384577 606288351 /nfs/dbraw/zinc/28/83/51/606288351.db2.gz ILUUCBYDATVCJH-LLVKDONJSA-N -1 3 397.439 3.033 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820384577 606288353 /nfs/dbraw/zinc/28/83/53/606288353.db2.gz ILUUCBYDATVCJH-LLVKDONJSA-N -1 3 397.439 3.033 20 0 GGADHM CCC[C@H](CCO)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821021692 606288543 /nfs/dbraw/zinc/28/85/43/606288543.db2.gz NXJYKXZLIKPVNO-OAHLLOKOSA-N -1 3 394.479 3.139 20 0 GGADHM Cn1cccc1CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822693547 606290708 /nfs/dbraw/zinc/29/07/08/606290708.db2.gz FMUQLWVKESLSJK-UHFFFAOYSA-N -1 3 390.472 3.286 20 0 GGADHM Cn1cccc1CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822693547 606290709 /nfs/dbraw/zinc/29/07/09/606290709.db2.gz FMUQLWVKESLSJK-UHFFFAOYSA-N -1 3 390.472 3.286 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccccc1OC(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821640556 606296467 /nfs/dbraw/zinc/29/64/67/606296467.db2.gz KUGYVZBDBZXXST-AUUYWEPGSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccccc1OC(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821640556 606296468 /nfs/dbraw/zinc/29/64/68/606296468.db2.gz KUGYVZBDBZXXST-AUUYWEPGSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000821640995 606298420 /nfs/dbraw/zinc/29/84/20/606298420.db2.gz TXIYSCWAKRXDLO-XOBRGWDASA-N -1 3 391.475 3.310 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000821640995 606298421 /nfs/dbraw/zinc/29/84/21/606298421.db2.gz TXIYSCWAKRXDLO-XOBRGWDASA-N -1 3 391.475 3.310 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCSc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821642498 606298968 /nfs/dbraw/zinc/29/89/68/606298968.db2.gz JXIJAUPUIXHIAV-HOTGVXAUSA-N -1 3 399.451 3.047 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCSc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821642498 606298969 /nfs/dbraw/zinc/29/89/69/606298969.db2.gz JXIJAUPUIXHIAV-HOTGVXAUSA-N -1 3 399.451 3.047 20 0 GGADHM CCCCOc1cccc(CN[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077350 606300887 /nfs/dbraw/zinc/30/08/87/606300887.db2.gz BOGVFDQONFEGOW-LJQANCHMSA-N -1 3 395.463 3.050 20 0 GGADHM CCCCOc1cccc(CN[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077350 606300889 /nfs/dbraw/zinc/30/08/89/606300889.db2.gz BOGVFDQONFEGOW-LJQANCHMSA-N -1 3 395.463 3.050 20 0 GGADHM COC(=O)[C@H](NCCC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642739 606303651 /nfs/dbraw/zinc/30/36/51/606303651.db2.gz OREXLYRATZGLBI-GOSISDBHSA-N -1 3 379.464 3.038 20 0 GGADHM COC(=O)[C@H](NCCC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642739 606303653 /nfs/dbraw/zinc/30/36/53/606303653.db2.gz OREXLYRATZGLBI-GOSISDBHSA-N -1 3 379.464 3.038 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644721 606304031 /nfs/dbraw/zinc/30/40/31/606304031.db2.gz HJZLFMOAMCAOJJ-IBGZPJMESA-N -1 3 393.447 3.120 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644721 606304033 /nfs/dbraw/zinc/30/40/33/606304033.db2.gz HJZLFMOAMCAOJJ-IBGZPJMESA-N -1 3 393.447 3.120 20 0 GGADHM COC(=O)[C@@H](NCC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642371 606304584 /nfs/dbraw/zinc/30/45/84/606304584.db2.gz IEMAHPJVDPMXHS-KRWDZBQOSA-N -1 3 397.866 3.056 20 0 GGADHM COC(=O)[C@@H](NCC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642371 606304585 /nfs/dbraw/zinc/30/45/85/606304585.db2.gz IEMAHPJVDPMXHS-KRWDZBQOSA-N -1 3 397.866 3.056 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(CCSC)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645100 606305902 /nfs/dbraw/zinc/30/59/02/606305902.db2.gz RARRORCCPDFMMU-KRWDZBQOSA-N -1 3 383.477 3.098 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(CCSC)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645100 606305904 /nfs/dbraw/zinc/30/59/04/606305904.db2.gz RARRORCCPDFMMU-KRWDZBQOSA-N -1 3 383.477 3.098 20 0 GGADHM CCCCCNC(=O)COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821056859 606307224 /nfs/dbraw/zinc/30/72/24/606307224.db2.gz ZKVMJMXOJZYYGP-UHFFFAOYSA-N -1 3 381.436 3.344 20 0 GGADHM CCCCCNC(=O)COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821056859 606307225 /nfs/dbraw/zinc/30/72/25/606307225.db2.gz ZKVMJMXOJZYYGP-UHFFFAOYSA-N -1 3 381.436 3.344 20 0 GGADHM COC(=O)[C@H](Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645427 606308527 /nfs/dbraw/zinc/30/85/27/606308527.db2.gz ZFKMVHYVJKMQRC-OAHLLOKOSA-N -1 3 391.353 3.298 20 0 GGADHM COC(=O)[C@H](Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645427 606308529 /nfs/dbraw/zinc/30/85/29/606308529.db2.gz ZFKMVHYVJKMQRC-OAHLLOKOSA-N -1 3 391.353 3.298 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(OC(C)C)c(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645341 606308676 /nfs/dbraw/zinc/30/86/76/606308676.db2.gz XILWNTGYKILPGX-SFHVURJKSA-N -1 3 381.436 3.289 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(OC(C)C)c(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645341 606308678 /nfs/dbraw/zinc/30/86/78/606308678.db2.gz XILWNTGYKILPGX-SFHVURJKSA-N -1 3 381.436 3.289 20 0 GGADHM O=C1[C@@H](Sc2ccc3c(c2)CCC3)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512149 606311116 /nfs/dbraw/zinc/31/11/16/606311116.db2.gz LKNGGCYXCHHXHT-HNNXBMFYSA-N -1 3 383.502 3.315 20 0 GGADHM O=C1[C@@H](Sc2ccc3c(c2)CCC3)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512149 606311117 /nfs/dbraw/zinc/31/11/17/606311117.db2.gz LKNGGCYXCHHXHT-HNNXBMFYSA-N -1 3 383.502 3.315 20 0 GGADHM O=C1[C@@H](Sc2c(F)cc(F)cc2F)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511216 606311121 /nfs/dbraw/zinc/31/11/21/606311121.db2.gz DTUMDEGTPJTIJC-NSHDSACASA-N -1 3 397.407 3.243 20 0 GGADHM O=C1[C@@H](Sc2c(F)cc(F)cc2F)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511216 606311123 /nfs/dbraw/zinc/31/11/23/606311123.db2.gz DTUMDEGTPJTIJC-NSHDSACASA-N -1 3 397.407 3.243 20 0 GGADHM CC(=O)[C@H](C)SCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000819782297 606311794 /nfs/dbraw/zinc/31/17/94/606311794.db2.gz LCKTWTYXTUFXOP-ZDUSSCGKSA-N -1 3 390.513 3.049 20 0 GGADHM CC(=O)[C@H](C)SCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000819782297 606311795 /nfs/dbraw/zinc/31/17/95/606311795.db2.gz LCKTWTYXTUFXOP-ZDUSSCGKSA-N -1 3 390.513 3.049 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1cccc2ccccc21 ZINC000821650285 606315444 /nfs/dbraw/zinc/31/54/44/606315444.db2.gz NZXJYCBBNNCZRM-HXUWFJFHSA-N -1 3 387.443 3.366 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1cccc2ccccc21 ZINC000821650285 606315445 /nfs/dbraw/zinc/31/54/45/606315445.db2.gz NZXJYCBBNNCZRM-HXUWFJFHSA-N -1 3 387.443 3.366 20 0 GGADHM O=C(N[C@H]1CCC[C@H](O)C1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823149999 606315686 /nfs/dbraw/zinc/31/56/86/606315686.db2.gz JTOMXGBDKQSHOH-GJZGRUSLSA-N -1 3 395.488 3.051 20 0 GGADHM O=C(N[C@H]1CCC[C@H](O)C1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823149999 606315687 /nfs/dbraw/zinc/31/56/87/606315687.db2.gz JTOMXGBDKQSHOH-GJZGRUSLSA-N -1 3 395.488 3.051 20 0 GGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000821154151 606322027 /nfs/dbraw/zinc/32/20/27/606322027.db2.gz KLNZDSLOOUYIDP-IBGZPJMESA-N -1 3 387.447 3.150 20 0 GGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000821154151 606322030 /nfs/dbraw/zinc/32/20/30/606322030.db2.gz KLNZDSLOOUYIDP-IBGZPJMESA-N -1 3 387.447 3.150 20 0 GGADHM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819987793 606324562 /nfs/dbraw/zinc/32/45/62/606324562.db2.gz MAWKFFGBDAELMD-UHFFFAOYSA-N -1 3 379.251 3.253 20 0 GGADHM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819987793 606324564 /nfs/dbraw/zinc/32/45/64/606324564.db2.gz MAWKFFGBDAELMD-UHFFFAOYSA-N -1 3 379.251 3.253 20 0 GGADHM CN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC000821570749 606325879 /nfs/dbraw/zinc/32/58/79/606325879.db2.gz JBMNEDXOPRBTDR-GOSISDBHSA-N -1 3 379.489 3.495 20 0 GGADHM CN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC000821570749 606325880 /nfs/dbraw/zinc/32/58/80/606325880.db2.gz JBMNEDXOPRBTDR-GOSISDBHSA-N -1 3 379.489 3.495 20 0 GGADHM COc1ccc([C@H](NC(=O)CSc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821777888 606327533 /nfs/dbraw/zinc/32/75/33/606327533.db2.gz NRCCQIGABDHTLL-LJQANCHMSA-N -1 3 397.504 3.481 20 0 GGADHM COc1ccc([C@H](NC(=O)CSc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821777888 606327535 /nfs/dbraw/zinc/32/75/35/606327535.db2.gz NRCCQIGABDHTLL-LJQANCHMSA-N -1 3 397.504 3.481 20 0 GGADHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822279905 606327536 /nfs/dbraw/zinc/32/75/36/606327536.db2.gz FPUAZEDLHHBOQB-CQSZACIVSA-N -1 3 395.488 3.222 20 0 GGADHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822279905 606327537 /nfs/dbraw/zinc/32/75/37/606327537.db2.gz FPUAZEDLHHBOQB-CQSZACIVSA-N -1 3 395.488 3.222 20 0 GGADHM CC(C)c1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)NC2=S)cc1 ZINC000820192548 606334044 /nfs/dbraw/zinc/33/40/44/606334044.db2.gz SWIGJFCUCBIMSK-NVNXTCNLSA-N -1 3 396.501 3.314 20 0 GGADHM CC(C)c1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)NC2=S)cc1 ZINC000820192548 606334045 /nfs/dbraw/zinc/33/40/45/606334045.db2.gz SWIGJFCUCBIMSK-NVNXTCNLSA-N -1 3 396.501 3.314 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820939702 606335421 /nfs/dbraw/zinc/33/54/21/606335421.db2.gz XHFQBQWPUDCCPD-AWEZNQCLSA-N -1 3 386.431 3.358 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820939702 606335423 /nfs/dbraw/zinc/33/54/23/606335423.db2.gz XHFQBQWPUDCCPD-AWEZNQCLSA-N -1 3 386.431 3.358 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC)Oc1ccccc1F ZINC000821400440 606335528 /nfs/dbraw/zinc/33/55/28/606335528.db2.gz JQZDNOZFPSZFOY-OAHLLOKOSA-N -1 3 385.399 3.201 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC)Oc1ccccc1F ZINC000821400440 606335529 /nfs/dbraw/zinc/33/55/29/606335529.db2.gz JQZDNOZFPSZFOY-OAHLLOKOSA-N -1 3 385.399 3.201 20 0 GGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820938290 606335809 /nfs/dbraw/zinc/33/58/09/606335809.db2.gz IAXKCQCYVBWUAI-GFCCVEGCSA-N -1 3 375.429 3.480 20 0 GGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820938290 606335811 /nfs/dbraw/zinc/33/58/11/606335811.db2.gz IAXKCQCYVBWUAI-GFCCVEGCSA-N -1 3 375.429 3.480 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000822267475 606339294 /nfs/dbraw/zinc/33/92/94/606339294.db2.gz VSEZVZBBMHVTEC-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000822267475 606339296 /nfs/dbraw/zinc/33/92/96/606339296.db2.gz VSEZVZBBMHVTEC-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000822267276 606339568 /nfs/dbraw/zinc/33/95/68/606339568.db2.gz QOBIXZPDFHXCPE-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000822267276 606339569 /nfs/dbraw/zinc/33/95/69/606339569.db2.gz QOBIXZPDFHXCPE-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000822332820 606339654 /nfs/dbraw/zinc/33/96/54/606339654.db2.gz UDPHYTNCRSIEDT-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000822332820 606339656 /nfs/dbraw/zinc/33/96/56/606339656.db2.gz UDPHYTNCRSIEDT-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM CC[C@](C)(CO)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000820853015 606344173 /nfs/dbraw/zinc/34/41/73/606344173.db2.gz JHLHDRLAZXAVBM-HXUWFJFHSA-N -1 3 396.451 3.250 20 0 GGADHM CC[C@](C)(CO)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000820853015 606344175 /nfs/dbraw/zinc/34/41/75/606344175.db2.gz JHLHDRLAZXAVBM-HXUWFJFHSA-N -1 3 396.451 3.250 20 0 GGADHM C[C@H](OC(=O)CSc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495239 606345827 /nfs/dbraw/zinc/34/58/27/606345827.db2.gz FGEYNXCZLHGOSQ-NSHDSACASA-N -1 3 381.417 3.404 20 0 GGADHM C[C@H](OC(=O)CSc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495239 606345829 /nfs/dbraw/zinc/34/58/29/606345829.db2.gz FGEYNXCZLHGOSQ-NSHDSACASA-N -1 3 381.417 3.404 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488549 606347561 /nfs/dbraw/zinc/34/75/61/606347561.db2.gz PHOFUVFLDYOUMI-AGRHKRQWSA-N -1 3 377.448 3.341 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488549 606347564 /nfs/dbraw/zinc/34/75/64/606347564.db2.gz PHOFUVFLDYOUMI-AGRHKRQWSA-N -1 3 377.448 3.341 20 0 GGADHM C[C@@H](OC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498166 606349262 /nfs/dbraw/zinc/34/92/62/606349262.db2.gz YWBVQDMHALWWGJ-GFCCVEGCSA-N -1 3 398.444 3.034 20 0 GGADHM C[C@@H](OC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498166 606349263 /nfs/dbraw/zinc/34/92/63/606349263.db2.gz YWBVQDMHALWWGJ-GFCCVEGCSA-N -1 3 398.444 3.034 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000820380338 606350251 /nfs/dbraw/zinc/35/02/51/606350251.db2.gz QLJGOGKXDJGZTM-SECBINFHSA-N -1 3 383.412 3.498 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000820380338 606350253 /nfs/dbraw/zinc/35/02/53/606350253.db2.gz QLJGOGKXDJGZTM-SECBINFHSA-N -1 3 383.412 3.498 20 0 GGADHM COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821889595 606350876 /nfs/dbraw/zinc/35/08/76/606350876.db2.gz DACLHWFGAZPHJG-LBPRGKRZSA-N -1 3 382.399 3.036 20 0 GGADHM COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821889595 606350877 /nfs/dbraw/zinc/35/08/77/606350877.db2.gz DACLHWFGAZPHJG-LBPRGKRZSA-N -1 3 382.399 3.036 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C12CCCC2 ZINC000821358641 606357566 /nfs/dbraw/zinc/35/75/66/606357566.db2.gz JRLKEAGHBLWDQL-CVEARBPZSA-N -1 3 388.447 3.207 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C12CCCC2 ZINC000821358641 606357568 /nfs/dbraw/zinc/35/75/68/606357568.db2.gz JRLKEAGHBLWDQL-CVEARBPZSA-N -1 3 388.447 3.207 20 0 GGADHM CCc1nnsc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821553953 606361131 /nfs/dbraw/zinc/36/11/31/606361131.db2.gz MVRDVDDXCSNTOM-UHFFFAOYSA-N -1 3 394.416 3.292 20 0 GGADHM CCc1nnsc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821553953 606361132 /nfs/dbraw/zinc/36/11/32/606361132.db2.gz MVRDVDDXCSNTOM-UHFFFAOYSA-N -1 3 394.416 3.292 20 0 GGADHM CCOCCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821384544 606361242 /nfs/dbraw/zinc/36/12/42/606361242.db2.gz ZSGFBNGVWBVAQK-AWEZNQCLSA-N -1 3 398.419 3.006 20 0 GGADHM CCOCCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821384544 606361244 /nfs/dbraw/zinc/36/12/44/606361244.db2.gz ZSGFBNGVWBVAQK-AWEZNQCLSA-N -1 3 398.419 3.006 20 0 GGADHM Cc1nc(C)c(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000822427161 606361410 /nfs/dbraw/zinc/36/14/10/606361410.db2.gz DDGXLZFRXYEOHT-UHFFFAOYSA-N -1 3 377.360 3.483 20 0 GGADHM Cc1nc(C)c(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000822427161 606361411 /nfs/dbraw/zinc/36/14/11/606361411.db2.gz DDGXLZFRXYEOHT-UHFFFAOYSA-N -1 3 377.360 3.483 20 0 GGADHM CCOc1cccnc1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821437357 606372388 /nfs/dbraw/zinc/37/23/88/606372388.db2.gz NKRBDCUBOYZWGP-UHFFFAOYSA-N -1 3 393.432 3.036 20 0 GGADHM CCOc1cccnc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821437357 606372390 /nfs/dbraw/zinc/37/23/90/606372390.db2.gz NKRBDCUBOYZWGP-UHFFFAOYSA-N -1 3 393.432 3.036 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1cc(F)cc(Br)c1 ZINC000823077769 606374168 /nfs/dbraw/zinc/37/41/68/606374168.db2.gz AIOMSDVNAPGVKH-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1cc(F)cc(Br)c1 ZINC000823077769 606374170 /nfs/dbraw/zinc/37/41/70/606374170.db2.gz AIOMSDVNAPGVKH-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM CC[C@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820882763 606374231 /nfs/dbraw/zinc/37/42/31/606374231.db2.gz ZYQWBAGOYGEYIY-AUUYWEPGSA-N -1 3 394.431 3.208 20 0 GGADHM CC[C@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820882763 606374233 /nfs/dbraw/zinc/37/42/33/606374233.db2.gz ZYQWBAGOYGEYIY-AUUYWEPGSA-N -1 3 394.431 3.208 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCCc1ccc(C(F)(F)F)cc1 ZINC000822659938 606381256 /nfs/dbraw/zinc/38/12/56/606381256.db2.gz RQNMYGNBVSZSDA-UHFFFAOYSA-N -1 3 379.342 3.014 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCCc1ccc(C(F)(F)F)cc1 ZINC000822659938 606381257 /nfs/dbraw/zinc/38/12/57/606381257.db2.gz RQNMYGNBVSZSDA-UHFFFAOYSA-N -1 3 379.342 3.014 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821454185 606382943 /nfs/dbraw/zinc/38/29/43/606382943.db2.gz DWBNPLORMXIVGA-OLZOCXBDSA-N -1 3 376.486 3.061 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821454185 606382944 /nfs/dbraw/zinc/38/29/44/606382944.db2.gz DWBNPLORMXIVGA-OLZOCXBDSA-N -1 3 376.486 3.061 20 0 GGADHM CCc1ccc(C(C)(C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821476528 606391570 /nfs/dbraw/zinc/39/15/70/606391570.db2.gz PDFCIBVJYXOTMG-UHFFFAOYSA-N -1 3 382.443 3.303 20 0 GGADHM CCc1ccc(C(C)(C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821476528 606391571 /nfs/dbraw/zinc/39/15/71/606391571.db2.gz PDFCIBVJYXOTMG-UHFFFAOYSA-N -1 3 382.443 3.303 20 0 GGADHM Cc1nc(-c2ccc(C)c(NC(=S)Nc3ccccc3-c3nnn[n-]3)c2)n[nH]1 ZINC000822419422 606392616 /nfs/dbraw/zinc/39/26/16/606392616.db2.gz QWUAMMBDHNMDMY-UHFFFAOYSA-N -1 3 391.464 3.078 20 0 GGADHM Cc1nc(-c2ccc(C)c(NC(=S)Nc3ccccc3-c3nn[n-]n3)c2)n[nH]1 ZINC000822419422 606392618 /nfs/dbraw/zinc/39/26/18/606392618.db2.gz QWUAMMBDHNMDMY-UHFFFAOYSA-N -1 3 391.464 3.078 20 0 GGADHM CC(C)NC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820137858 606396923 /nfs/dbraw/zinc/39/69/23/606396923.db2.gz OQBOESMZDASPNE-ZDUSSCGKSA-N -1 3 394.435 3.315 20 0 GGADHM CC(C)NC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820137858 606396924 /nfs/dbraw/zinc/39/69/24/606396924.db2.gz OQBOESMZDASPNE-ZDUSSCGKSA-N -1 3 394.435 3.315 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502294 606399101 /nfs/dbraw/zinc/39/91/01/606399101.db2.gz PDBVNUCICLUURN-LLVKDONJSA-N -1 3 378.367 3.314 20 0 GGADHM Cc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)ncn1 ZINC000822205671 606399856 /nfs/dbraw/zinc/39/98/56/606399856.db2.gz DHTGBCMELXSYLL-UHFFFAOYSA-N -1 3 375.411 3.311 20 0 GGADHM Cc1cc(N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)ncn1 ZINC000822205671 606399857 /nfs/dbraw/zinc/39/98/57/606399857.db2.gz DHTGBCMELXSYLL-UHFFFAOYSA-N -1 3 375.411 3.311 20 0 GGADHM O=C(NC[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1)c1ccccc1 ZINC000823175880 606401586 /nfs/dbraw/zinc/40/15/86/606401586.db2.gz NYBFRKRGTIDUJJ-AWEZNQCLSA-N -1 3 396.882 3.167 20 0 GGADHM O=C(NC[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1)c1ccccc1 ZINC000823175880 606401587 /nfs/dbraw/zinc/40/15/87/606401587.db2.gz NYBFRKRGTIDUJJ-AWEZNQCLSA-N -1 3 396.882 3.167 20 0 GGADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822258849 606409152 /nfs/dbraw/zinc/40/91/52/606409152.db2.gz FCAIHMSEGCFLPO-SNVBAGLBSA-N -1 3 377.351 3.033 20 0 GGADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822258849 606409153 /nfs/dbraw/zinc/40/91/53/606409153.db2.gz FCAIHMSEGCFLPO-SNVBAGLBSA-N -1 3 377.351 3.033 20 0 GGADHM C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820402749 606415276 /nfs/dbraw/zinc/41/52/76/606415276.db2.gz FTAWWPBRRJJEIN-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820402749 606415278 /nfs/dbraw/zinc/41/52/78/606415278.db2.gz FTAWWPBRRJJEIN-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@H]1CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1C ZINC000820742944 606422139 /nfs/dbraw/zinc/42/21/39/606422139.db2.gz ODWSYRYWPLMFOC-GJZGRUSLSA-N -1 3 377.448 3.174 20 0 GGADHM CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820473581 606427693 /nfs/dbraw/zinc/42/76/93/606427693.db2.gz HCIIUAJQELBNKR-AWEZNQCLSA-N -1 3 396.451 3.282 20 0 GGADHM CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820473581 606427694 /nfs/dbraw/zinc/42/76/94/606427694.db2.gz HCIIUAJQELBNKR-AWEZNQCLSA-N -1 3 396.451 3.282 20 0 GGADHM CC(C)N(C[C@@H](C)O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820473582 606427753 /nfs/dbraw/zinc/42/77/53/606427753.db2.gz HCIIUAJQELBNKR-CQSZACIVSA-N -1 3 396.451 3.282 20 0 GGADHM CC(C)N(C[C@@H](C)O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820473582 606427754 /nfs/dbraw/zinc/42/77/54/606427754.db2.gz HCIIUAJQELBNKR-CQSZACIVSA-N -1 3 396.451 3.282 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821034409 606436547 /nfs/dbraw/zinc/43/65/47/606436547.db2.gz LXOZPDHTILZNNU-HIFRSBDPSA-N -1 3 383.481 3.224 20 0 GGADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821034409 606436548 /nfs/dbraw/zinc/43/65/48/606436548.db2.gz LXOZPDHTILZNNU-HIFRSBDPSA-N -1 3 383.481 3.224 20 0 GGADHM CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1(C)C ZINC000821678630 606437094 /nfs/dbraw/zinc/43/70/94/606437094.db2.gz QDOWNUDMTKWBBE-YJYMSZOUSA-N -1 3 389.504 3.091 20 0 GGADHM CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1(C)C ZINC000821678630 606437095 /nfs/dbraw/zinc/43/70/95/606437095.db2.gz QDOWNUDMTKWBBE-YJYMSZOUSA-N -1 3 389.504 3.091 20 0 GGADHM O=C(OCC[C@@H]1CCCO1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823400697 606437624 /nfs/dbraw/zinc/43/76/24/606437624.db2.gz IFENDXCKDNOFOP-SFHVURJKSA-N -1 3 394.431 3.172 20 0 GGADHM Cn1cc([C@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C(C)(C)C)cn1 ZINC000822669824 606438833 /nfs/dbraw/zinc/43/88/33/606438833.db2.gz RDMISBXIAYFNCB-HNNXBMFYSA-N -1 3 399.503 3.066 20 0 GGADHM Cn1cc([C@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C(C)(C)C)cn1 ZINC000822669824 606438835 /nfs/dbraw/zinc/43/88/35/606438835.db2.gz RDMISBXIAYFNCB-HNNXBMFYSA-N -1 3 399.503 3.066 20 0 GGADHM CCc1ccccc1NC(=O)CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821497215 606440194 /nfs/dbraw/zinc/44/01/94/606440194.db2.gz QURYUIINSXIFMR-UHFFFAOYSA-N -1 3 387.447 3.052 20 0 GGADHM CCc1ccccc1NC(=O)CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821497215 606440196 /nfs/dbraw/zinc/44/01/96/606440196.db2.gz QURYUIINSXIFMR-UHFFFAOYSA-N -1 3 387.447 3.052 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000820715941 606446534 /nfs/dbraw/zinc/44/65/34/606446534.db2.gz FWFDCQFSEYSUTB-CABCVRRESA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)[C@H]1C ZINC000820715941 606446536 /nfs/dbraw/zinc/44/65/36/606446536.db2.gz FWFDCQFSEYSUTB-CABCVRRESA-N -1 3 377.448 3.316 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000822220508 606454517 /nfs/dbraw/zinc/45/45/17/606454517.db2.gz UICNFQJUSXOUDO-LJQANCHMSA-N -1 3 382.443 3.240 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000822220508 606454519 /nfs/dbraw/zinc/45/45/19/606454519.db2.gz UICNFQJUSXOUDO-LJQANCHMSA-N -1 3 382.443 3.240 20 0 GGADHM Cc1cc(Br)ccc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822161073 606464825 /nfs/dbraw/zinc/46/48/25/606464825.db2.gz OERPBLAAOJTEHE-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM Cc1cc(Br)ccc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822161073 606464827 /nfs/dbraw/zinc/46/48/27/606464827.db2.gz OERPBLAAOJTEHE-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccc(Cl)cc2n1C ZINC000820507391 606470126 /nfs/dbraw/zinc/47/01/26/606470126.db2.gz HCSAXCOIVZTLOF-QMMMGPOBSA-N -1 3 388.840 3.386 20 0 GGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccc(Cl)cc2n1C ZINC000820507391 606470129 /nfs/dbraw/zinc/47/01/29/606470129.db2.gz HCSAXCOIVZTLOF-QMMMGPOBSA-N -1 3 388.840 3.386 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)[C@H](C)CO2)c1 ZINC000822231824 606475451 /nfs/dbraw/zinc/47/54/51/606475451.db2.gz IQLDRTPHMVOWMW-CXAGYDPISA-N -1 3 384.871 3.498 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)[C@H](C)CO2)c1 ZINC000822231824 606475453 /nfs/dbraw/zinc/47/54/53/606475453.db2.gz IQLDRTPHMVOWMW-CXAGYDPISA-N -1 3 384.871 3.498 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000823108082 606489844 /nfs/dbraw/zinc/48/98/44/606489844.db2.gz JVBOWWLKWVXJOE-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000823108082 606489845 /nfs/dbraw/zinc/48/98/45/606489845.db2.gz JVBOWWLKWVXJOE-UHFFFAOYSA-N -1 3 380.408 3.311 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)s1 ZINC000821675035 606490407 /nfs/dbraw/zinc/49/04/07/606490407.db2.gz BKQHAXYCKKOIGZ-MRVPVSSYSA-N -1 3 378.483 3.270 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000821675035 606490408 /nfs/dbraw/zinc/49/04/08/606490408.db2.gz BKQHAXYCKKOIGZ-MRVPVSSYSA-N -1 3 378.483 3.270 20 0 GGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570758 606496444 /nfs/dbraw/zinc/49/64/44/606496444.db2.gz QPSXNUKSEZEALE-LBPRGKRZSA-N -1 3 378.461 3.239 20 0 GGADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570758 606496446 /nfs/dbraw/zinc/49/64/46/606496446.db2.gz QPSXNUKSEZEALE-LBPRGKRZSA-N -1 3 378.461 3.239 20 0 GGADHM O=C(Nc1cccnc1OCc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823372833 606496525 /nfs/dbraw/zinc/49/65/25/606496525.db2.gz LKZBGLQPLNQMEZ-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM O=C(Nc1cccnc1OCc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823372833 606496526 /nfs/dbraw/zinc/49/65/26/606496526.db2.gz LKZBGLQPLNQMEZ-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM CCc1oc2ccccc2c1CN(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821563917 606496553 /nfs/dbraw/zinc/49/65/53/606496553.db2.gz MDQXHTXQMWMKEE-UHFFFAOYSA-N -1 3 375.432 3.376 20 0 GGADHM CCc1oc2ccccc2c1CN(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821563917 606496555 /nfs/dbraw/zinc/49/65/55/606496555.db2.gz MDQXHTXQMWMKEE-UHFFFAOYSA-N -1 3 375.432 3.376 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000823467407 606496678 /nfs/dbraw/zinc/49/66/78/606496678.db2.gz VZABNAQDRPRJPI-UHFFFAOYSA-N -1 3 380.408 3.309 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000823467407 606496680 /nfs/dbraw/zinc/49/66/80/606496680.db2.gz VZABNAQDRPRJPI-UHFFFAOYSA-N -1 3 380.408 3.309 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2cc(OC(F)F)ccc21 ZINC000823472161 606498613 /nfs/dbraw/zinc/49/86/13/606498613.db2.gz BWIWPZKZUVFHHN-UHFFFAOYSA-N -1 3 377.376 3.123 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2cc(OC(F)F)ccc21 ZINC000823472161 606498614 /nfs/dbraw/zinc/49/86/14/606498614.db2.gz BWIWPZKZUVFHHN-UHFFFAOYSA-N -1 3 377.376 3.123 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2cccc(OC(F)F)c21 ZINC000823472729 606498667 /nfs/dbraw/zinc/49/86/67/606498667.db2.gz WSEVQGREWKBFPC-UHFFFAOYSA-N -1 3 377.376 3.123 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2cccc(OC(F)F)c21 ZINC000823472729 606498669 /nfs/dbraw/zinc/49/86/69/606498669.db2.gz WSEVQGREWKBFPC-UHFFFAOYSA-N -1 3 377.376 3.123 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCCOc1ccc(Cl)cc1 ZINC000823098893 606499086 /nfs/dbraw/zinc/49/90/86/606499086.db2.gz UTMCHBROYSRPKX-UHFFFAOYSA-N -1 3 385.855 3.038 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCCOc1ccc(Cl)cc1 ZINC000823098893 606499088 /nfs/dbraw/zinc/49/90/88/606499088.db2.gz UTMCHBROYSRPKX-UHFFFAOYSA-N -1 3 385.855 3.038 20 0 GGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823266221 606501353 /nfs/dbraw/zinc/50/13/53/606501353.db2.gz OXJMZZQCFGKDOR-UHFFFAOYSA-N -1 3 396.407 3.185 20 0 GGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823266221 606501354 /nfs/dbraw/zinc/50/13/54/606501354.db2.gz OXJMZZQCFGKDOR-UHFFFAOYSA-N -1 3 396.407 3.185 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC(C(F)(F)F)CC1 ZINC000822732111 606502508 /nfs/dbraw/zinc/50/25/08/606502508.db2.gz ILIUTXABBCXEIQ-UHFFFAOYSA-N -1 3 377.317 3.242 20 0 GGADHM O=C(Nc1cccc(OCc2cscn2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367977 606503203 /nfs/dbraw/zinc/50/32/03/606503203.db2.gz PMYWDXDCSWWZNW-UHFFFAOYSA-N -1 3 384.446 3.216 20 0 GGADHM O=C(Nc1cccc(OCc2cscn2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367977 606503205 /nfs/dbraw/zinc/50/32/05/606503205.db2.gz PMYWDXDCSWWZNW-UHFFFAOYSA-N -1 3 384.446 3.216 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(OCc2ccccc2)cc1 ZINC000823098868 606503978 /nfs/dbraw/zinc/50/39/78/606503978.db2.gz UAHDVJAUOFIYRD-UHFFFAOYSA-N -1 3 399.454 3.305 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(OCc2ccccc2)cc1 ZINC000823098868 606503980 /nfs/dbraw/zinc/50/39/80/606503980.db2.gz UAHDVJAUOFIYRD-UHFFFAOYSA-N -1 3 399.454 3.305 20 0 GGADHM CC(C)CN(CCc1ccc(F)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820087275 606506154 /nfs/dbraw/zinc/50/61/54/606506154.db2.gz OTMHARGCBYXRTL-UHFFFAOYSA-N -1 3 381.455 3.276 20 0 GGADHM CC(C)CN(CCc1ccc(F)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820087275 606506155 /nfs/dbraw/zinc/50/61/55/606506155.db2.gz OTMHARGCBYXRTL-UHFFFAOYSA-N -1 3 381.455 3.276 20 0 GGADHM Cc1c(NC(=O)c2cc(-c3nnn[n-]3)cs2)cccc1OCC(F)(F)F ZINC000822104968 606506615 /nfs/dbraw/zinc/50/66/15/606506615.db2.gz SJHBKMRODMJACA-UHFFFAOYSA-N -1 3 383.355 3.430 20 0 GGADHM Cc1c(NC(=O)c2cc(-c3nn[n-]n3)cs2)cccc1OCC(F)(F)F ZINC000822104968 606506617 /nfs/dbraw/zinc/50/66/17/606506617.db2.gz SJHBKMRODMJACA-UHFFFAOYSA-N -1 3 383.355 3.430 20 0 GGADHM COc1cccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000821857971 606507935 /nfs/dbraw/zinc/50/79/35/606507935.db2.gz BYHNNYUXAPPLJB-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820292342 606510941 /nfs/dbraw/zinc/51/09/41/606510941.db2.gz CYUMWDYWMUKAPO-SECBINFHSA-N -1 3 381.383 3.308 20 0 GGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820292342 606510942 /nfs/dbraw/zinc/51/09/42/606510942.db2.gz CYUMWDYWMUKAPO-SECBINFHSA-N -1 3 381.383 3.308 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1OCc1ccccc1 ZINC000823108968 606516330 /nfs/dbraw/zinc/51/63/30/606516330.db2.gz UNOPQBRHDDYHCC-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1OCc1ccccc1 ZINC000823108968 606516331 /nfs/dbraw/zinc/51/63/31/606516331.db2.gz UNOPQBRHDDYHCC-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)cs3)[C@H](C)CO2)c1 ZINC000822232049 606519950 /nfs/dbraw/zinc/51/99/50/606519950.db2.gz RNHAECBTGQHEJS-CZUORRHYSA-N -1 3 383.477 3.147 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)cs3)[C@H](C)CO2)c1 ZINC000822232049 606519951 /nfs/dbraw/zinc/51/99/51/606519951.db2.gz RNHAECBTGQHEJS-CZUORRHYSA-N -1 3 383.477 3.147 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000821652416 606520950 /nfs/dbraw/zinc/52/09/50/606520950.db2.gz RUQHZAKZSSJJHC-LJQANCHMSA-N -1 3 395.438 3.100 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000821652416 606520952 /nfs/dbraw/zinc/52/09/52/606520952.db2.gz RUQHZAKZSSJJHC-LJQANCHMSA-N -1 3 395.438 3.100 20 0 GGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822236029 606521841 /nfs/dbraw/zinc/52/18/41/606521841.db2.gz HFWIOAHBGXATPR-KRWDZBQOSA-N -1 3 397.504 3.101 20 0 GGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822236029 606521843 /nfs/dbraw/zinc/52/18/43/606521843.db2.gz HFWIOAHBGXATPR-KRWDZBQOSA-N -1 3 397.504 3.101 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819928275 606523566 /nfs/dbraw/zinc/52/35/66/606523566.db2.gz NBROANDOGPIHOW-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819928275 606523568 /nfs/dbraw/zinc/52/35/68/606523568.db2.gz NBROANDOGPIHOW-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000823088383 606525134 /nfs/dbraw/zinc/52/51/34/606525134.db2.gz XLOKHBAGRDTWPC-QGZVFWFLSA-N -1 3 397.866 3.133 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000823088383 606525136 /nfs/dbraw/zinc/52/51/36/606525136.db2.gz XLOKHBAGRDTWPC-QGZVFWFLSA-N -1 3 397.866 3.133 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000823087006 606528293 /nfs/dbraw/zinc/52/82/93/606528293.db2.gz BVXYEXVUKXRSEQ-HNNXBMFYSA-N -1 3 399.857 3.435 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000823087006 606528295 /nfs/dbraw/zinc/52/82/95/606528295.db2.gz BVXYEXVUKXRSEQ-HNNXBMFYSA-N -1 3 399.857 3.435 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000823087015 606528372 /nfs/dbraw/zinc/52/83/72/606528372.db2.gz CFRRYPRLCODMNV-UHFFFAOYSA-N -1 3 379.439 3.030 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000823087015 606528374 /nfs/dbraw/zinc/52/83/74/606528374.db2.gz CFRRYPRLCODMNV-UHFFFAOYSA-N -1 3 379.439 3.030 20 0 GGADHM O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823379707 606532033 /nfs/dbraw/zinc/53/20/33/606532033.db2.gz FILNDOHZEDIKIZ-UHFFFAOYSA-N -1 3 389.510 3.013 20 0 GGADHM O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823379707 606532035 /nfs/dbraw/zinc/53/20/35/606532035.db2.gz FILNDOHZEDIKIZ-UHFFFAOYSA-N -1 3 389.510 3.013 20 0 GGADHM O=C(NCC(c1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823166095 606535422 /nfs/dbraw/zinc/53/54/22/606535422.db2.gz FAMIAFOSRSQDFK-UHFFFAOYSA-N -1 3 375.457 3.490 20 0 GGADHM O=C(NCC(c1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823166095 606535423 /nfs/dbraw/zinc/53/54/23/606535423.db2.gz FAMIAFOSRSQDFK-UHFFFAOYSA-N -1 3 375.457 3.490 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000823088397 606538148 /nfs/dbraw/zinc/53/81/48/606538148.db2.gz XOPOGDZZOXRLRW-UHFFFAOYSA-N -1 3 386.459 3.297 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000823088397 606538150 /nfs/dbraw/zinc/53/81/50/606538150.db2.gz XOPOGDZZOXRLRW-UHFFFAOYSA-N -1 3 386.459 3.297 20 0 GGADHM COc1ccccc1CC1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821891121 606540796 /nfs/dbraw/zinc/54/07/96/606540796.db2.gz VYDMRBKJXDWQJA-UHFFFAOYSA-N -1 3 383.477 3.032 20 0 GGADHM COc1ccccc1CC1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000821891121 606540798 /nfs/dbraw/zinc/54/07/98/606540798.db2.gz VYDMRBKJXDWQJA-UHFFFAOYSA-N -1 3 383.477 3.032 20 0 GGADHM CCC1(CNC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000820962330 606544414 /nfs/dbraw/zinc/54/44/14/606544414.db2.gz OOSLATLNLFUEAD-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM CCC1(CNC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000820962330 606544415 /nfs/dbraw/zinc/54/44/15/606544415.db2.gz OOSLATLNLFUEAD-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000823087188 606545062 /nfs/dbraw/zinc/54/50/62/606545062.db2.gz JVQXADZDBTZBAD-UHFFFAOYSA-N -1 3 398.470 3.076 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000823087188 606545063 /nfs/dbraw/zinc/54/50/63/606545063.db2.gz JVQXADZDBTZBAD-UHFFFAOYSA-N -1 3 398.470 3.076 20 0 GGADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299511 606545550 /nfs/dbraw/zinc/54/55/50/606545550.db2.gz ZXNAFDMZOVUMOT-UHFFFAOYSA-N -1 3 376.445 3.361 20 0 GGADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299511 606545552 /nfs/dbraw/zinc/54/55/52/606545552.db2.gz ZXNAFDMZOVUMOT-UHFFFAOYSA-N -1 3 376.445 3.361 20 0 GGADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820820775 606547288 /nfs/dbraw/zinc/54/72/88/606547288.db2.gz QCBZYNLJRGEQRA-VIFPVBQESA-N -1 3 391.262 3.272 20 0 GGADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820820775 606547290 /nfs/dbraw/zinc/54/72/90/606547290.db2.gz QCBZYNLJRGEQRA-VIFPVBQESA-N -1 3 391.262 3.272 20 0 GGADHM CC(C)(C)OCc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819950267 606548225 /nfs/dbraw/zinc/54/82/25/606548225.db2.gz HDJUISAVLFWEKH-UHFFFAOYSA-N -1 3 381.436 3.199 20 0 GGADHM CC(C)(C)OCc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819950267 606548227 /nfs/dbraw/zinc/54/82/27/606548227.db2.gz HDJUISAVLFWEKH-UHFFFAOYSA-N -1 3 381.436 3.199 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC1CCC1)c1ccccc1 ZINC000820518508 606549316 /nfs/dbraw/zinc/54/93/16/606549316.db2.gz FYZGGMSVFYWURW-HNNXBMFYSA-N -1 3 377.448 3.467 20 0 GGADHM Cc1cccc(C(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c2cccc(C)c2)c1 ZINC000822288518 606549849 /nfs/dbraw/zinc/54/98/49/606549849.db2.gz AEISUZVHNFGPSN-UHFFFAOYSA-N -1 3 384.443 3.398 20 0 GGADHM Cc1cccc(C(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c2cccc(C)c2)c1 ZINC000822288518 606549850 /nfs/dbraw/zinc/54/98/50/606549850.db2.gz AEISUZVHNFGPSN-UHFFFAOYSA-N -1 3 384.443 3.398 20 0 GGADHM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823383128 606551353 /nfs/dbraw/zinc/55/13/53/606551353.db2.gz MGBQXVXXDJXXBS-UHFFFAOYSA-N -1 3 375.483 3.155 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000820529131 606552177 /nfs/dbraw/zinc/55/21/77/606552177.db2.gz PFPGQILKQQXSMO-SCRDCRAPSA-N -1 3 397.401 3.119 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000820542827 606552194 /nfs/dbraw/zinc/55/21/94/606552194.db2.gz REIBGWYVGNHWAS-XQQFMLRXSA-N -1 3 397.401 3.119 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000820542827 606552195 /nfs/dbraw/zinc/55/21/95/606552195.db2.gz REIBGWYVGNHWAS-XQQFMLRXSA-N -1 3 397.401 3.119 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000820542828 606552526 /nfs/dbraw/zinc/55/25/26/606552526.db2.gz REIBGWYVGNHWAS-YNEHKIRRSA-N -1 3 397.401 3.119 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000820542828 606552528 /nfs/dbraw/zinc/55/25/28/606552528.db2.gz REIBGWYVGNHWAS-YNEHKIRRSA-N -1 3 397.401 3.119 20 0 GGADHM CC(C)(c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1)c1ccccc1 ZINC000820005353 606553150 /nfs/dbraw/zinc/55/31/50/606553150.db2.gz OHMLICAGAUMHFM-UHFFFAOYSA-N -1 3 397.489 3.358 20 0 GGADHM O=C(CCc1ccsc1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822983884 606557720 /nfs/dbraw/zinc/55/77/20/606557720.db2.gz WJVYUSKZPAJBBK-UHFFFAOYSA-N -1 3 380.376 3.206 20 0 GGADHM O=C(CCc1ccsc1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822983884 606557721 /nfs/dbraw/zinc/55/77/21/606557721.db2.gz WJVYUSKZPAJBBK-UHFFFAOYSA-N -1 3 380.376 3.206 20 0 GGADHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000822227438 606561530 /nfs/dbraw/zinc/56/15/30/606561530.db2.gz ISELYHPQYISYSE-UHFFFAOYSA-N -1 3 378.310 3.273 20 0 GGADHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000822227438 606561531 /nfs/dbraw/zinc/56/15/31/606561531.db2.gz ISELYHPQYISYSE-UHFFFAOYSA-N -1 3 378.310 3.273 20 0 GGADHM COc1ccccc1-c1nc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cs1 ZINC000821877859 606565947 /nfs/dbraw/zinc/56/59/47/606565947.db2.gz XLFDDOQZICICHZ-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM COc1ccccc1-c1nc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cs1 ZINC000821877859 606565948 /nfs/dbraw/zinc/56/59/48/606565948.db2.gz XLFDDOQZICICHZ-UHFFFAOYSA-N -1 3 399.457 3.417 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)[C@@H]1C ZINC000820717120 606572810 /nfs/dbraw/zinc/57/28/10/606572810.db2.gz NYLOGXHFUMTPHQ-CHWSQXEVSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)[C@@H]1C ZINC000820717120 606572812 /nfs/dbraw/zinc/57/28/12/606572812.db2.gz NYLOGXHFUMTPHQ-CHWSQXEVSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820717122 606573069 /nfs/dbraw/zinc/57/30/69/606573069.db2.gz NYLOGXHFUMTPHQ-QWHCGFSZSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820717122 606573072 /nfs/dbraw/zinc/57/30/72/606573072.db2.gz NYLOGXHFUMTPHQ-QWHCGFSZSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820716920 606573291 /nfs/dbraw/zinc/57/32/91/606573291.db2.gz MNZKFHOVCYQXLX-QWHCGFSZSA-N -1 3 379.424 3.316 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823088016 606578454 /nfs/dbraw/zinc/57/84/54/606578454.db2.gz WCEAQVRYQXDXFQ-MRXNPFEDSA-N -1 3 379.489 3.050 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823088016 606578457 /nfs/dbraw/zinc/57/84/57/606578457.db2.gz WCEAQVRYQXDXFQ-MRXNPFEDSA-N -1 3 379.489 3.050 20 0 GGADHM CN(C[C@@H]1CCOC1)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821597921 606585547 /nfs/dbraw/zinc/58/55/47/606585547.db2.gz LHMTYMGMQUZHDN-AWEZNQCLSA-N -1 3 395.488 3.126 20 0 GGADHM CN(C[C@@H]1CCOC1)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821597921 606585548 /nfs/dbraw/zinc/58/55/48/606585548.db2.gz LHMTYMGMQUZHDN-AWEZNQCLSA-N -1 3 395.488 3.126 20 0 GGADHM CO[C@H](C)c1nc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)cs1 ZINC000821675088 606593461 /nfs/dbraw/zinc/59/34/61/606593461.db2.gz CQLRWJUGAQMVJP-SNVBAGLBSA-N -1 3 399.455 3.060 20 0 GGADHM CO[C@H](C)c1nc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)cs1 ZINC000821675088 606593462 /nfs/dbraw/zinc/59/34/62/606593462.db2.gz CQLRWJUGAQMVJP-SNVBAGLBSA-N -1 3 399.455 3.060 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823154489 606593594 /nfs/dbraw/zinc/59/35/94/606593594.db2.gz CQLDXDHGIJBBGI-RTBURBONSA-N -1 3 394.523 3.168 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823154489 606593596 /nfs/dbraw/zinc/59/35/96/606593596.db2.gz CQLDXDHGIJBBGI-RTBURBONSA-N -1 3 394.523 3.168 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1COc1cccnc1Br ZINC000822732531 606595518 /nfs/dbraw/zinc/59/55/18/606595518.db2.gz IQTAGDCSMHMNMK-UHFFFAOYSA-N -1 3 398.167 3.205 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1COc1cccnc1Br ZINC000822732531 606595520 /nfs/dbraw/zinc/59/55/20/606595520.db2.gz IQTAGDCSMHMNMK-UHFFFAOYSA-N -1 3 398.167 3.205 20 0 GGADHM CC(C)CCNC(=O)[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820076671 606597771 /nfs/dbraw/zinc/59/77/71/606597771.db2.gz QXXRTZVMAFXHOQ-LLVKDONJSA-N -1 3 399.467 3.252 20 0 GGADHM CC(C)CCNC(=O)[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820076671 606597772 /nfs/dbraw/zinc/59/77/72/606597772.db2.gz QXXRTZVMAFXHOQ-LLVKDONJSA-N -1 3 399.467 3.252 20 0 GGADHM CCCCCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821056166 606598288 /nfs/dbraw/zinc/59/82/88/606598288.db2.gz NGAMZEPZFYFUOO-UHFFFAOYSA-N -1 3 385.440 3.008 20 0 GGADHM CCCCCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821056166 606598289 /nfs/dbraw/zinc/59/82/89/606598289.db2.gz NGAMZEPZFYFUOO-UHFFFAOYSA-N -1 3 385.440 3.008 20 0 GGADHM C[C@H](NC(=O)N(C[C@H]1CCCO1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341797 606601325 /nfs/dbraw/zinc/60/13/25/606601325.db2.gz RQABQAVFDMFPSB-KBXCAEBGSA-N -1 3 384.484 3.061 20 0 GGADHM C[C@H](NC(=O)N(C[C@H]1CCCO1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341797 606601326 /nfs/dbraw/zinc/60/13/26/606601326.db2.gz RQABQAVFDMFPSB-KBXCAEBGSA-N -1 3 384.484 3.061 20 0 GGADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819764158 606601772 /nfs/dbraw/zinc/60/17/72/606601772.db2.gz GCHJYCCIHQJEDG-FMIVXFBMSA-N -1 3 385.374 3.188 20 0 GGADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819764158 606601773 /nfs/dbraw/zinc/60/17/73/606601773.db2.gz GCHJYCCIHQJEDG-FMIVXFBMSA-N -1 3 385.374 3.188 20 0 GGADHM CCCCCC(C)(C)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821042407 606603828 /nfs/dbraw/zinc/60/38/28/606603828.db2.gz AOFINWCKUBIHEW-UHFFFAOYSA-N -1 3 382.472 3.052 20 0 GGADHM CCCCCC(C)(C)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821042407 606603830 /nfs/dbraw/zinc/60/38/30/606603830.db2.gz AOFINWCKUBIHEW-UHFFFAOYSA-N -1 3 382.472 3.052 20 0 GGADHM CC[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC000820909597 606607565 /nfs/dbraw/zinc/60/75/65/606607565.db2.gz YHKSAOBNKZUKAJ-CXAGYDPISA-N -1 3 398.442 3.224 20 0 GGADHM CC[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC000820909597 606607567 /nfs/dbraw/zinc/60/75/67/606607567.db2.gz YHKSAOBNKZUKAJ-CXAGYDPISA-N -1 3 398.442 3.224 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC000820909599 606607698 /nfs/dbraw/zinc/60/76/98/606607698.db2.gz YHKSAOBNKZUKAJ-GUYCJALGSA-N -1 3 398.442 3.224 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC000820909599 606607700 /nfs/dbraw/zinc/60/77/00/606607700.db2.gz YHKSAOBNKZUKAJ-GUYCJALGSA-N -1 3 398.442 3.224 20 0 GGADHM Cc1nnc(N2CCC[C@]3(CCCc4ccccc43)C2)c(-c2nnn[n-]2)c1C ZINC000822510240 606609738 /nfs/dbraw/zinc/60/97/38/606609738.db2.gz KBUQWGRPECBKEM-OAQYLSRUSA-N -1 3 375.480 3.148 20 0 GGADHM Cc1nnc(N2CCC[C@]3(CCCc4ccccc43)C2)c(-c2nn[n-]n2)c1C ZINC000822510240 606609739 /nfs/dbraw/zinc/60/97/39/606609739.db2.gz KBUQWGRPECBKEM-OAQYLSRUSA-N -1 3 375.480 3.148 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CC(F)(F)C1 ZINC000823350264 606621157 /nfs/dbraw/zinc/62/11/57/606621157.db2.gz GNFYMIQTYBKCTQ-UHFFFAOYSA-N -1 3 385.374 3.430 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CC(F)(F)C1 ZINC000823350264 606621158 /nfs/dbraw/zinc/62/11/58/606621158.db2.gz GNFYMIQTYBKCTQ-UHFFFAOYSA-N -1 3 385.374 3.430 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823087172 606623540 /nfs/dbraw/zinc/62/35/40/606623540.db2.gz IXWOFVBDZJOTOP-UHFFFAOYSA-N -1 3 377.782 3.361 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000823087172 606623541 /nfs/dbraw/zinc/62/35/41/606623541.db2.gz IXWOFVBDZJOTOP-UHFFFAOYSA-N -1 3 377.782 3.361 20 0 GGADHM CSc1ccccc1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821984858 606624024 /nfs/dbraw/zinc/62/40/24/606624024.db2.gz VKFAMHCOMROOQM-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM CSc1ccccc1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821984858 606624025 /nfs/dbraw/zinc/62/40/25/606624025.db2.gz VKFAMHCOMROOQM-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM Fc1ccc(NCc2ccccc2-c2nnn[n-]2)c(I)c1 ZINC000822782780 606625499 /nfs/dbraw/zinc/62/54/99/606625499.db2.gz GOSXSJGHJQXMEI-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Fc1ccc(NCc2ccccc2-c2nn[n-]n2)c(I)c1 ZINC000822782780 606625501 /nfs/dbraw/zinc/62/55/01/606625501.db2.gz GOSXSJGHJQXMEI-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Cc1cnc([C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822389440 606627100 /nfs/dbraw/zinc/62/71/00/606627100.db2.gz WLSMTOXIROMDJI-QMMMGPOBSA-N -1 3 379.902 3.333 20 0 GGADHM Cc1cnc([C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822389440 606627102 /nfs/dbraw/zinc/62/71/02/606627102.db2.gz WLSMTOXIROMDJI-QMMMGPOBSA-N -1 3 379.902 3.333 20 0 GGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NCc1cccs1 ZINC000820548517 606630065 /nfs/dbraw/zinc/63/00/65/606630065.db2.gz BCSNDFUQNWMFDH-SECBINFHSA-N -1 3 379.898 3.379 20 0 GGADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NCc1cccs1 ZINC000820548517 606630066 /nfs/dbraw/zinc/63/00/66/606630066.db2.gz BCSNDFUQNWMFDH-SECBINFHSA-N -1 3 379.898 3.379 20 0 GGADHM COc1ccc(NC(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000821832091 606630736 /nfs/dbraw/zinc/63/07/36/606630736.db2.gz ZBRWOZFDJDRNGO-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM COc1ccc(NC(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000821832091 606630737 /nfs/dbraw/zinc/63/07/37/606630737.db2.gz ZBRWOZFDJDRNGO-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM Cc1[nH]ccc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822009963 606632004 /nfs/dbraw/zinc/63/20/04/606632004.db2.gz IKSXGUWIYILBET-UHFFFAOYSA-N -1 3 392.394 3.474 20 0 GGADHM Cc1[nH]ccc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822009963 606632005 /nfs/dbraw/zinc/63/20/05/606632005.db2.gz IKSXGUWIYILBET-UHFFFAOYSA-N -1 3 392.394 3.474 20 0 GGADHM Cc1cnc(CNC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000822395102 606632686 /nfs/dbraw/zinc/63/26/86/606632686.db2.gz RLKKBUQPEQXGBF-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM Cc1cnc(CNC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000822395102 606632687 /nfs/dbraw/zinc/63/26/87/606632687.db2.gz RLKKBUQPEQXGBF-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc2ccccc2o1 ZINC000821161214 606634665 /nfs/dbraw/zinc/63/46/65/606634665.db2.gz WWEGAQIZSKRFSR-CYBMUJFWSA-N -1 3 397.460 3.385 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc2ccccc2o1 ZINC000821161214 606634666 /nfs/dbraw/zinc/63/46/66/606634666.db2.gz WWEGAQIZSKRFSR-CYBMUJFWSA-N -1 3 397.460 3.385 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Sc1ccccn1 ZINC000820556548 606636351 /nfs/dbraw/zinc/63/63/51/606636351.db2.gz UHDZWSBFCOHKKM-CQSZACIVSA-N -1 3 382.493 3.180 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Sc1ccccn1 ZINC000820556548 606636352 /nfs/dbraw/zinc/63/63/52/606636352.db2.gz UHDZWSBFCOHKKM-CQSZACIVSA-N -1 3 382.493 3.180 20 0 GGADHM O=C(/C=C/SCc1ccco1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822922938 606636588 /nfs/dbraw/zinc/63/65/88/606636588.db2.gz LESBBLHVFJEIOF-PKNBQFBNSA-N -1 3 381.461 3.398 20 0 GGADHM O=C(/C=C/SCc1ccco1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822922938 606636589 /nfs/dbraw/zinc/63/65/89/606636589.db2.gz LESBBLHVFJEIOF-PKNBQFBNSA-N -1 3 381.461 3.398 20 0 GGADHM Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822693858 606653465 /nfs/dbraw/zinc/65/34/65/606653465.db2.gz MCLLASJOFGREOZ-OAHLLOKOSA-N -1 3 394.460 3.193 20 0 GGADHM Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822693858 606653466 /nfs/dbraw/zinc/65/34/66/606653466.db2.gz MCLLASJOFGREOZ-OAHLLOKOSA-N -1 3 394.460 3.193 20 0 GGADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCOCC1 ZINC000820512987 606654296 /nfs/dbraw/zinc/65/42/96/606654296.db2.gz RRKHIYQTBLMNSI-ZDUSSCGKSA-N -1 3 395.419 3.026 20 0 GGADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCOCC1 ZINC000820512987 606654297 /nfs/dbraw/zinc/65/42/97/606654297.db2.gz RRKHIYQTBLMNSI-ZDUSSCGKSA-N -1 3 395.419 3.026 20 0 GGADHM C[C@@H](c1ccco1)N(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000820569908 606657079 /nfs/dbraw/zinc/65/70/79/606657079.db2.gz ANWUVVYHMHZJLM-NSHDSACASA-N -1 3 386.843 3.277 20 0 GGADHM C[C@@H](c1ccco1)N(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000820569908 606657080 /nfs/dbraw/zinc/65/70/80/606657080.db2.gz ANWUVVYHMHZJLM-NSHDSACASA-N -1 3 386.843 3.277 20 0 GGADHM C[C@H](c1ccco1)N(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000820570614 606657197 /nfs/dbraw/zinc/65/71/97/606657197.db2.gz OICJINGKOMWVAY-LLVKDONJSA-N -1 3 386.843 3.277 20 0 GGADHM C[C@H](c1ccco1)N(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000820570614 606657198 /nfs/dbraw/zinc/65/71/98/606657198.db2.gz OICJINGKOMWVAY-LLVKDONJSA-N -1 3 386.843 3.277 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccccc1)CC(F)F ZINC000823333157 606660889 /nfs/dbraw/zinc/66/08/89/606660889.db2.gz YSWBOWTUQPWYMQ-UHFFFAOYSA-N -1 3 376.342 3.305 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)CC(F)F ZINC000823333157 606660890 /nfs/dbraw/zinc/66/08/90/606660890.db2.gz YSWBOWTUQPWYMQ-UHFFFAOYSA-N -1 3 376.342 3.305 20 0 GGADHM O=C(NCc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823257892 606662475 /nfs/dbraw/zinc/66/24/75/606662475.db2.gz XPJOIGLYCMLATE-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM O=C(NCc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823257892 606662476 /nfs/dbraw/zinc/66/24/76/606662476.db2.gz XPJOIGLYCMLATE-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823219718 606662480 /nfs/dbraw/zinc/66/24/80/606662480.db2.gz NSUWRHCEAODLCB-UHFFFAOYSA-N -1 3 397.307 3.136 20 0 GGADHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823219718 606662481 /nfs/dbraw/zinc/66/24/81/606662481.db2.gz NSUWRHCEAODLCB-UHFFFAOYSA-N -1 3 397.307 3.136 20 0 GGADHM O=C(Nc1ccccc1N1CCCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372422 606664298 /nfs/dbraw/zinc/66/42/98/606664298.db2.gz CJZPMLKHDPLFRD-UHFFFAOYSA-N -1 3 384.390 3.388 20 0 GGADHM O=C(Nc1ccccc1N1CCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372422 606664299 /nfs/dbraw/zinc/66/42/99/606664299.db2.gz CJZPMLKHDPLFRD-UHFFFAOYSA-N -1 3 384.390 3.388 20 0 GGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820642261 606667589 /nfs/dbraw/zinc/66/75/89/606667589.db2.gz HGTORUQNIRHWEV-ZETCQYMHSA-N -1 3 388.305 3.193 20 0 GGADHM C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820642261 606667590 /nfs/dbraw/zinc/66/75/90/606667590.db2.gz HGTORUQNIRHWEV-ZETCQYMHSA-N -1 3 388.305 3.193 20 0 GGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820155490 606667831 /nfs/dbraw/zinc/66/78/31/606667831.db2.gz QWPRZVSEYDWJGM-LLVKDONJSA-N -1 3 387.390 3.423 20 0 GGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820155490 606667832 /nfs/dbraw/zinc/66/78/32/606667832.db2.gz QWPRZVSEYDWJGM-LLVKDONJSA-N -1 3 387.390 3.423 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000821777682 606668671 /nfs/dbraw/zinc/66/86/71/606668671.db2.gz LAUWGTXFCBJLRR-KRWDZBQOSA-N -1 3 385.374 3.035 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000821777682 606668672 /nfs/dbraw/zinc/66/86/72/606668672.db2.gz LAUWGTXFCBJLRR-KRWDZBQOSA-N -1 3 385.374 3.035 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819958810 606669171 /nfs/dbraw/zinc/66/91/71/606669171.db2.gz QRTWHURAZFAZCC-UHFFFAOYSA-N -1 3 385.418 3.415 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819958810 606669172 /nfs/dbraw/zinc/66/91/72/606669172.db2.gz QRTWHURAZFAZCC-UHFFFAOYSA-N -1 3 385.418 3.415 20 0 GGADHM C[C@H](Cc1ccccc1Cl)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820299552 606670077 /nfs/dbraw/zinc/67/00/77/606670077.db2.gz HTBZYRCTKZRVLN-SECBINFHSA-N -1 3 377.782 3.159 20 0 GGADHM C[C@H](Cc1ccccc1Cl)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820299552 606670078 /nfs/dbraw/zinc/67/00/78/606670078.db2.gz HTBZYRCTKZRVLN-SECBINFHSA-N -1 3 377.782 3.159 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)cc1F ZINC000820087319 606670564 /nfs/dbraw/zinc/67/05/64/606670564.db2.gz POSQFTBUEMEFHP-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)cc1F ZINC000820087319 606670565 /nfs/dbraw/zinc/67/05/65/606670565.db2.gz POSQFTBUEMEFHP-UHFFFAOYSA-N -1 3 385.418 3.372 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@]1(C)CCCO1 ZINC000822206037 606671321 /nfs/dbraw/zinc/67/13/21/606671321.db2.gz RSLFOYCDTZKOJB-NRFANRHFSA-N -1 3 395.438 3.417 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@]1(C)CCCO1 ZINC000822206037 606671322 /nfs/dbraw/zinc/67/13/22/606671322.db2.gz RSLFOYCDTZKOJB-NRFANRHFSA-N -1 3 395.438 3.417 20 0 GGADHM CCc1noc(CC)c1CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821554845 606671379 /nfs/dbraw/zinc/67/13/79/606671379.db2.gz UGBKFSPXKSBCLM-UHFFFAOYSA-N -1 3 396.495 3.207 20 0 GGADHM CCc1noc(CC)c1CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821554845 606671380 /nfs/dbraw/zinc/67/13/80/606671380.db2.gz UGBKFSPXKSBCLM-UHFFFAOYSA-N -1 3 396.495 3.207 20 0 GGADHM O=C(NCc1cc2c(s1)CCCC2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823246081 606671479 /nfs/dbraw/zinc/67/14/79/606671479.db2.gz BCVZFSZZJKQFOO-UHFFFAOYSA-N -1 3 375.404 3.015 20 0 GGADHM O=C(NCc1cc2c(s1)CCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823246081 606671480 /nfs/dbraw/zinc/67/14/80/606671480.db2.gz BCVZFSZZJKQFOO-UHFFFAOYSA-N -1 3 375.404 3.015 20 0 GGADHM O=C(NCCc1csc2ccccc12)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823224197 606671506 /nfs/dbraw/zinc/67/15/06/606671506.db2.gz TVIAPCMCIGHNDC-UHFFFAOYSA-N -1 3 385.399 3.332 20 0 GGADHM O=C(NCCc1csc2ccccc12)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823224197 606671507 /nfs/dbraw/zinc/67/15/07/606671507.db2.gz TVIAPCMCIGHNDC-UHFFFAOYSA-N -1 3 385.399 3.332 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000820151439 606672619 /nfs/dbraw/zinc/67/26/19/606672619.db2.gz HPQHWOBSWASTHG-IRXDYDNUSA-N -1 3 377.448 3.471 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000820151439 606672620 /nfs/dbraw/zinc/67/26/20/606672620.db2.gz HPQHWOBSWASTHG-IRXDYDNUSA-N -1 3 377.448 3.471 20 0 GGADHM O=C(Nc1cccc(COCC2CC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363680 606674967 /nfs/dbraw/zinc/67/49/67/606674967.db2.gz LRGUENAKWXRXJU-UHFFFAOYSA-N -1 3 385.374 3.324 20 0 GGADHM O=C(Nc1cccc(COCC2CC2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363680 606674968 /nfs/dbraw/zinc/67/49/68/606674968.db2.gz LRGUENAKWXRXJU-UHFFFAOYSA-N -1 3 385.374 3.324 20 0 GGADHM COc1cccc(C2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC000821863435 606675361 /nfs/dbraw/zinc/67/53/61/606675361.db2.gz JVBANIGSFCWNTG-UHFFFAOYSA-N -1 3 399.401 3.173 20 0 GGADHM COc1cccc(C2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000821863435 606675362 /nfs/dbraw/zinc/67/53/62/606675362.db2.gz JVBANIGSFCWNTG-UHFFFAOYSA-N -1 3 399.401 3.173 20 0 GGADHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820607153 606676681 /nfs/dbraw/zinc/67/66/81/606676681.db2.gz KAWJDNNIIBGJCR-MRXNPFEDSA-N -1 3 399.401 3.137 20 0 GGADHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820607153 606676682 /nfs/dbraw/zinc/67/66/82/606676682.db2.gz KAWJDNNIIBGJCR-MRXNPFEDSA-N -1 3 399.401 3.137 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821681609 606676909 /nfs/dbraw/zinc/67/69/09/606676909.db2.gz OIEWIIUGBNHYPE-CQSZACIVSA-N -1 3 381.436 3.057 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821681609 606676910 /nfs/dbraw/zinc/67/69/10/606676910.db2.gz OIEWIIUGBNHYPE-CQSZACIVSA-N -1 3 381.436 3.057 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821681396 606677596 /nfs/dbraw/zinc/67/75/96/606677596.db2.gz JRRPSRXHZGRCGY-CYBMUJFWSA-N -1 3 399.426 3.196 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821681396 606677597 /nfs/dbraw/zinc/67/75/97/606677597.db2.gz JRRPSRXHZGRCGY-CYBMUJFWSA-N -1 3 399.426 3.196 20 0 GGADHM O=C(N[C@H](c1nccs1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139736 606677837 /nfs/dbraw/zinc/67/78/37/606677837.db2.gz KZXOHSMEFMJWKN-HNNXBMFYSA-N -1 3 398.398 3.121 20 0 GGADHM O=C(N[C@H](c1nccs1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139736 606677838 /nfs/dbraw/zinc/67/78/38/606677838.db2.gz KZXOHSMEFMJWKN-HNNXBMFYSA-N -1 3 398.398 3.121 20 0 GGADHM Cc1sc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1-c1ccc(F)cc1 ZINC000822552690 606678434 /nfs/dbraw/zinc/67/84/34/606678434.db2.gz FOIYNZZUQCFZPQ-UHFFFAOYSA-N -1 3 380.408 3.112 20 0 GGADHM Cc1sc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1-c1ccc(F)cc1 ZINC000822552690 606678435 /nfs/dbraw/zinc/67/84/35/606678435.db2.gz FOIYNZZUQCFZPQ-UHFFFAOYSA-N -1 3 380.408 3.112 20 0 GGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822235071 606680241 /nfs/dbraw/zinc/68/02/41/606680241.db2.gz QOMSCPMBWCHNOZ-OAHLLOKOSA-N -1 3 383.402 3.301 20 0 GGADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822235071 606680242 /nfs/dbraw/zinc/68/02/42/606680242.db2.gz QOMSCPMBWCHNOZ-OAHLLOKOSA-N -1 3 383.402 3.301 20 0 GGADHM O=C(OCc1cnc(-c2cccs2)o1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440062 606681185 /nfs/dbraw/zinc/68/11/85/606681185.db2.gz AXTHJHAAMWWNDC-UHFFFAOYSA-N -1 3 389.343 3.218 20 0 GGADHM O=C(OCc1cnc(-c2cccs2)o1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440062 606681186 /nfs/dbraw/zinc/68/11/86/606681186.db2.gz AXTHJHAAMWWNDC-UHFFFAOYSA-N -1 3 389.343 3.218 20 0 GGADHM CCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000821081884 606681479 /nfs/dbraw/zinc/68/14/79/606681479.db2.gz CYISDLHBKYONSR-HUUCEWRRSA-N -1 3 393.438 3.201 20 0 GGADHM CCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000821081884 606681480 /nfs/dbraw/zinc/68/14/80/606681480.db2.gz CYISDLHBKYONSR-HUUCEWRRSA-N -1 3 393.438 3.201 20 0 GGADHM O=C(Cc1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823082463 606682611 /nfs/dbraw/zinc/68/26/11/606682611.db2.gz JZZAEQVTFBYGEO-UHFFFAOYSA-N -1 3 383.280 3.345 20 0 GGADHM O=C(Cc1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823082463 606682612 /nfs/dbraw/zinc/68/26/12/606682612.db2.gz JZZAEQVTFBYGEO-UHFFFAOYSA-N -1 3 383.280 3.345 20 0 GGADHM O=C(Nc1ccc(Br)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823323338 606682926 /nfs/dbraw/zinc/68/29/26/606682926.db2.gz LBCDNWZMYUNRMP-UHFFFAOYSA-N -1 3 398.142 3.299 20 0 GGADHM O=C(Nc1ccc(Br)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823323338 606682927 /nfs/dbraw/zinc/68/29/27/606682927.db2.gz LBCDNWZMYUNRMP-UHFFFAOYSA-N -1 3 398.142 3.299 20 0 GGADHM CCc1nnc(-c2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2)o1 ZINC000821518558 606683444 /nfs/dbraw/zinc/68/34/44/606683444.db2.gz ZMKNQTBEXNIGCI-UHFFFAOYSA-N -1 3 397.345 3.010 20 0 GGADHM CCc1nnc(-c2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2)o1 ZINC000821518558 606683445 /nfs/dbraw/zinc/68/34/45/606683445.db2.gz ZMKNQTBEXNIGCI-UHFFFAOYSA-N -1 3 397.345 3.010 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821681582 606683447 /nfs/dbraw/zinc/68/34/47/606683447.db2.gz NWJKEBYROCUTII-GFCCVEGCSA-N -1 3 385.399 3.409 20 0 GGADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821681582 606683448 /nfs/dbraw/zinc/68/34/48/606683448.db2.gz NWJKEBYROCUTII-GFCCVEGCSA-N -1 3 385.399 3.409 20 0 GGADHM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000821072565 606685030 /nfs/dbraw/zinc/68/50/30/606685030.db2.gz TURWULZSFCFYAX-LSDHHAIUSA-N -1 3 393.438 3.201 20 0 GGADHM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821072565 606685031 /nfs/dbraw/zinc/68/50/31/606685031.db2.gz TURWULZSFCFYAX-LSDHHAIUSA-N -1 3 393.438 3.201 20 0 GGADHM Cc1nc(CC(C)C)c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000822437313 606685062 /nfs/dbraw/zinc/68/50/62/606685062.db2.gz YTPYOBBCTWCJPZ-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM Cc1nc(CC(C)C)c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000822437313 606685063 /nfs/dbraw/zinc/68/50/63/606685063.db2.gz YTPYOBBCTWCJPZ-UHFFFAOYSA-N -1 3 375.429 3.326 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1(CC)CC ZINC000821362329 606685738 /nfs/dbraw/zinc/68/57/38/606685738.db2.gz ZUOQHXIPQKYLLU-LSDHHAIUSA-N -1 3 393.438 3.201 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(CC)CC ZINC000821362329 606685739 /nfs/dbraw/zinc/68/57/39/606685739.db2.gz ZUOQHXIPQKYLLU-LSDHHAIUSA-N -1 3 393.438 3.201 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H]1c1ccccc1Br ZINC000823478848 606689925 /nfs/dbraw/zinc/68/99/25/606689925.db2.gz VEHWWFSSQIAEEC-OAHLLOKOSA-N -1 3 399.252 3.002 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H]1c1ccccc1Br ZINC000823478848 606689926 /nfs/dbraw/zinc/68/99/26/606689926.db2.gz VEHWWFSSQIAEEC-OAHLLOKOSA-N -1 3 399.252 3.002 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823066041 606690463 /nfs/dbraw/zinc/69/04/63/606690463.db2.gz JRBCSEPJNAGTIC-HNNXBMFYSA-N -1 3 383.452 3.114 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823066041 606690464 /nfs/dbraw/zinc/69/04/64/606690464.db2.gz JRBCSEPJNAGTIC-HNNXBMFYSA-N -1 3 383.452 3.114 20 0 GGADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000822254180 606693682 /nfs/dbraw/zinc/69/36/82/606693682.db2.gz BYWHXOOSGHNRMT-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000822254180 606693683 /nfs/dbraw/zinc/69/36/83/606693683.db2.gz BYWHXOOSGHNRMT-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823049503 606693751 /nfs/dbraw/zinc/69/37/51/606693751.db2.gz FEYVRQFHRPDABD-FQEVSTJZSA-N -1 3 395.438 3.432 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823049503 606693752 /nfs/dbraw/zinc/69/37/52/606693752.db2.gz FEYVRQFHRPDABD-FQEVSTJZSA-N -1 3 395.438 3.432 20 0 GGADHM CC(C)(C)c1csc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819966217 606694638 /nfs/dbraw/zinc/69/46/38/606694638.db2.gz YYENRFGIMUQHAH-UHFFFAOYSA-N -1 3 388.522 3.493 20 0 GGADHM CC(C)(C)c1csc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819966217 606694639 /nfs/dbraw/zinc/69/46/39/606694639.db2.gz YYENRFGIMUQHAH-UHFFFAOYSA-N -1 3 388.522 3.493 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820993959 606695603 /nfs/dbraw/zinc/69/56/03/606695603.db2.gz CSYVKXGZEVNDAJ-QGZVFWFLSA-N -1 3 377.452 3.129 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820993959 606695604 /nfs/dbraw/zinc/69/56/04/606695604.db2.gz CSYVKXGZEVNDAJ-QGZVFWFLSA-N -1 3 377.452 3.129 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(N2CCCC2)c1 ZINC000820372849 606695755 /nfs/dbraw/zinc/69/57/55/606695755.db2.gz CISAEZKUDNASGL-CQSZACIVSA-N -1 3 377.452 3.350 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000820372849 606695756 /nfs/dbraw/zinc/69/57/56/606695756.db2.gz CISAEZKUDNASGL-CQSZACIVSA-N -1 3 377.452 3.350 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000821762878 606696460 /nfs/dbraw/zinc/69/64/60/606696460.db2.gz ROHPDVHBKQBJCQ-FQEVSTJZSA-N -1 3 378.436 3.071 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000821762878 606696461 /nfs/dbraw/zinc/69/64/61/606696461.db2.gz ROHPDVHBKQBJCQ-FQEVSTJZSA-N -1 3 378.436 3.071 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(N2CCCC2)c1 ZINC000820380254 606697069 /nfs/dbraw/zinc/69/70/69/606697069.db2.gz OJBQSZNWWHCERF-CYBMUJFWSA-N -1 3 395.442 3.489 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(N2CCCC2)c1 ZINC000820380254 606697070 /nfs/dbraw/zinc/69/70/70/606697070.db2.gz OJBQSZNWWHCERF-CYBMUJFWSA-N -1 3 395.442 3.489 20 0 GGADHM CC[C@@H](CCO)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820903717 606697164 /nfs/dbraw/zinc/69/71/64/606697164.db2.gz WVIPTSRVTFXJPB-AWEZNQCLSA-N -1 3 396.451 3.189 20 0 GGADHM CC[C@@H](CCO)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820903717 606697165 /nfs/dbraw/zinc/69/71/65/606697165.db2.gz WVIPTSRVTFXJPB-AWEZNQCLSA-N -1 3 396.451 3.189 20 0 GGADHM C[C@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380399 606697489 /nfs/dbraw/zinc/69/74/89/606697489.db2.gz RWYPYKPQAXLHII-LBPRGKRZSA-N -1 3 392.398 3.074 20 0 GGADHM C[C@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380399 606697490 /nfs/dbraw/zinc/69/74/90/606697490.db2.gz RWYPYKPQAXLHII-LBPRGKRZSA-N -1 3 392.398 3.074 20 0 GGADHM Cc1cccc(OC(F)F)c1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822328388 606703187 /nfs/dbraw/zinc/70/31/87/606703187.db2.gz OXLYJNDAUBNOIV-UHFFFAOYSA-N -1 3 399.361 3.439 20 0 GGADHM Cc1cccc(OC(F)F)c1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822328388 606703189 /nfs/dbraw/zinc/70/31/89/606703189.db2.gz OXLYJNDAUBNOIV-UHFFFAOYSA-N -1 3 399.361 3.439 20 0 GGADHM CCOc1ccc(S(=O)(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cc1C ZINC000821426290 606710851 /nfs/dbraw/zinc/71/08/51/606710851.db2.gz BFUBTDGBFJSYQY-UHFFFAOYSA-N -1 3 393.856 3.028 20 0 GGADHM CCOc1ccc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cc1C ZINC000821426290 606710852 /nfs/dbraw/zinc/71/08/52/606710852.db2.gz BFUBTDGBFJSYQY-UHFFFAOYSA-N -1 3 393.856 3.028 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541267 606717309 /nfs/dbraw/zinc/71/73/09/606717309.db2.gz MPVWHYMFZFVTSI-DOMZBBRYSA-N -1 3 398.442 3.032 20 0 GGADHM Cc1nc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)oc1-c1ccc(Cl)cc1 ZINC000822444458 606718537 /nfs/dbraw/zinc/71/85/37/606718537.db2.gz RTOSGURXZMTILQ-UHFFFAOYSA-N -1 3 394.822 3.414 20 0 GGADHM Cc1nc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)oc1-c1ccc(Cl)cc1 ZINC000822444458 606718539 /nfs/dbraw/zinc/71/85/39/606718539.db2.gz RTOSGURXZMTILQ-UHFFFAOYSA-N -1 3 394.822 3.414 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541295 606718852 /nfs/dbraw/zinc/71/88/52/606718852.db2.gz NBNQTPSXSVFMCB-LHSJRXKWSA-N -1 3 394.479 3.067 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000822724126 606724818 /nfs/dbraw/zinc/72/48/18/606724818.db2.gz ZORQCNNVVMGXRX-CYBMUJFWSA-N -1 3 389.385 3.361 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000822724126 606724820 /nfs/dbraw/zinc/72/48/20/606724820.db2.gz ZORQCNNVVMGXRX-CYBMUJFWSA-N -1 3 389.385 3.361 20 0 GGADHM Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000822211698 606731347 /nfs/dbraw/zinc/73/13/47/606731347.db2.gz LIKZHWWMZJPOFN-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM CC(C)CC(CC(C)C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820057406 606737430 /nfs/dbraw/zinc/73/74/30/606737430.db2.gz ZSVQKDHQRMJKFA-UHFFFAOYSA-N -1 3 392.891 3.036 20 0 GGADHM CC(C)CC(CC(C)C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820057406 606737432 /nfs/dbraw/zinc/73/74/32/606737432.db2.gz ZSVQKDHQRMJKFA-UHFFFAOYSA-N -1 3 392.891 3.036 20 0 GGADHM Cc1c(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822068424 606745975 /nfs/dbraw/zinc/74/59/75/606745975.db2.gz RXPQTHMWKIYJME-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM C[C@H]1CSc2ccccc2N1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820813316 606748605 /nfs/dbraw/zinc/74/86/05/606748605.db2.gz DHYPENNPALZKLN-LBPRGKRZSA-N -1 3 391.460 3.418 20 0 GGADHM C[C@H]1CSc2ccccc2N1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820813316 606748606 /nfs/dbraw/zinc/74/86/06/606748606.db2.gz DHYPENNPALZKLN-LBPRGKRZSA-N -1 3 391.460 3.418 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000821612307 606749106 /nfs/dbraw/zinc/74/91/06/606749106.db2.gz PXNBCJQKJTWXJP-KRWDZBQOSA-N -1 3 392.463 3.311 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000821612307 606749107 /nfs/dbraw/zinc/74/91/07/606749107.db2.gz PXNBCJQKJTWXJP-KRWDZBQOSA-N -1 3 392.463 3.311 20 0 GGADHM CC(C)(C)c1csc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000819965290 606754601 /nfs/dbraw/zinc/75/46/01/606754601.db2.gz ADTOXWWZBROWRA-UHFFFAOYSA-N -1 3 379.392 3.256 20 0 GGADHM CC(C)(C)c1csc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000819965290 606754602 /nfs/dbraw/zinc/75/46/02/606754602.db2.gz ADTOXWWZBROWRA-UHFFFAOYSA-N -1 3 379.392 3.256 20 0 GGADHM CC(C)(C)c1nc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cs1 ZINC000819965633 606755008 /nfs/dbraw/zinc/75/50/08/606755008.db2.gz KRBNSLFRRATOEE-UHFFFAOYSA-N -1 3 379.392 3.256 20 0 GGADHM CC(C)(C)c1nc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cs1 ZINC000819965633 606755010 /nfs/dbraw/zinc/75/50/10/606755010.db2.gz KRBNSLFRRATOEE-UHFFFAOYSA-N -1 3 379.392 3.256 20 0 GGADHM O=C(OCc1cc(-c2ccccc2)on1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823413532 606756086 /nfs/dbraw/zinc/75/60/86/606756086.db2.gz JEBBKXSPXHNWOY-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM O=C(OCc1cc(-c2ccccc2)on1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823413532 606756087 /nfs/dbraw/zinc/75/60/87/606756087.db2.gz JEBBKXSPXHNWOY-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM Cc1cc(C)c(C(=O)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000822193392 606757372 /nfs/dbraw/zinc/75/73/72/606757372.db2.gz VZJSMUNNKMNZIZ-UHFFFAOYSA-N -1 3 386.358 3.110 20 0 GGADHM Cc1cc(C)c(C(=O)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000822193392 606757373 /nfs/dbraw/zinc/75/73/73/606757373.db2.gz VZJSMUNNKMNZIZ-UHFFFAOYSA-N -1 3 386.358 3.110 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC1(Cc2ccccc2)CCC1 ZINC000823060757 606757892 /nfs/dbraw/zinc/75/78/92/606757892.db2.gz KSEDHZZSHNWCHF-UHFFFAOYSA-N -1 3 393.516 3.382 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC1(Cc2ccccc2)CCC1 ZINC000823060757 606757893 /nfs/dbraw/zinc/75/78/93/606757893.db2.gz KSEDHZZSHNWCHF-UHFFFAOYSA-N -1 3 393.516 3.382 20 0 GGADHM O=C(OCc1cc(Cl)nc(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823413762 606759073 /nfs/dbraw/zinc/75/90/73/606759073.db2.gz MORCKCZLGJDTMW-UHFFFAOYSA-N -1 3 386.145 3.204 20 0 GGADHM O=C(OCc1cc(Cl)nc(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823413762 606759074 /nfs/dbraw/zinc/75/90/74/606759074.db2.gz MORCKCZLGJDTMW-UHFFFAOYSA-N -1 3 386.145 3.204 20 0 GGADHM CCCCC[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)C(C)C ZINC000821044203 606759937 /nfs/dbraw/zinc/75/99/37/606759937.db2.gz XUDRXLVLCFWBSZ-GFCCVEGCSA-N -1 3 379.486 3.262 20 0 GGADHM CCCCC[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)C(C)C ZINC000821044203 606759939 /nfs/dbraw/zinc/75/99/39/606759939.db2.gz XUDRXLVLCFWBSZ-GFCCVEGCSA-N -1 3 379.486 3.262 20 0 GGADHM Cc1cccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)c1F ZINC000822288906 606760512 /nfs/dbraw/zinc/76/05/12/606760512.db2.gz MROYULNACFHGKN-UHFFFAOYSA-N -1 3 393.378 3.098 20 0 GGADHM Cc1cccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)c1F ZINC000822288906 606760514 /nfs/dbraw/zinc/76/05/14/606760514.db2.gz MROYULNACFHGKN-UHFFFAOYSA-N -1 3 393.378 3.098 20 0 GGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823413868 606762000 /nfs/dbraw/zinc/76/20/00/606762000.db2.gz OWDYFKPNOPFMMO-AWEZNQCLSA-N -1 3 397.193 3.089 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823413868 606762002 /nfs/dbraw/zinc/76/20/02/606762002.db2.gz OWDYFKPNOPFMMO-AWEZNQCLSA-N -1 3 397.193 3.089 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823426427 606762287 /nfs/dbraw/zinc/76/22/87/606762287.db2.gz IDMKIPVLDNOXHN-AWEZNQCLSA-N -1 3 397.193 3.089 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823426427 606762289 /nfs/dbraw/zinc/76/22/89/606762289.db2.gz IDMKIPVLDNOXHN-AWEZNQCLSA-N -1 3 397.193 3.089 20 0 GGADHM CNc1ncc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000821637663 606773358 /nfs/dbraw/zinc/77/33/58/606773358.db2.gz OPEWMTOJAVWVBP-UHFFFAOYSA-N -1 3 392.444 3.389 20 0 GGADHM CNc1ncc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000821637663 606773360 /nfs/dbraw/zinc/77/33/60/606773360.db2.gz OPEWMTOJAVWVBP-UHFFFAOYSA-N -1 3 392.444 3.389 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000822144719 606774126 /nfs/dbraw/zinc/77/41/26/606774126.db2.gz NBLHWMJEZMCPBW-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000822144719 606774127 /nfs/dbraw/zinc/77/41/27/606774127.db2.gz NBLHWMJEZMCPBW-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM COCCC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CCCC1 ZINC000821686593 606775891 /nfs/dbraw/zinc/77/58/91/606775891.db2.gz XPBAAKLPCCXPPZ-UHFFFAOYSA-N -1 3 398.511 3.138 20 0 GGADHM COCCC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CCCC1 ZINC000821686593 606775892 /nfs/dbraw/zinc/77/58/92/606775892.db2.gz XPBAAKLPCCXPPZ-UHFFFAOYSA-N -1 3 398.511 3.138 20 0 GGADHM CCOCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821378648 606776173 /nfs/dbraw/zinc/77/61/73/606776173.db2.gz RCXYUKMAXKCMLG-UHFFFAOYSA-N -1 3 381.436 3.124 20 0 GGADHM CCOCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821378648 606776174 /nfs/dbraw/zinc/77/61/74/606776174.db2.gz RCXYUKMAXKCMLG-UHFFFAOYSA-N -1 3 381.436 3.124 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccc(F)c(Cl)c1 ZINC000823031895 606779467 /nfs/dbraw/zinc/77/94/67/606779467.db2.gz JDNVENJLOJTJJD-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccc(F)c(Cl)c1 ZINC000823031895 606779468 /nfs/dbraw/zinc/77/94/68/606779468.db2.gz JDNVENJLOJTJJD-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM CC(C)[C@@H](NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000820021368 606780169 /nfs/dbraw/zinc/78/01/69/606780169.db2.gz STOLJYLIKCUOPN-GOSISDBHSA-N -1 3 385.855 3.412 20 0 GGADHM CC(C)[C@@H](NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000820021368 606780170 /nfs/dbraw/zinc/78/01/70/606780170.db2.gz STOLJYLIKCUOPN-GOSISDBHSA-N -1 3 385.855 3.412 20 0 GGADHM Cc1ccc([C@H](NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000822231034 606785283 /nfs/dbraw/zinc/78/52/83/606785283.db2.gz YBXBQMQQBSXONN-IBGZPJMESA-N -1 3 397.866 3.475 20 0 GGADHM Cc1ccc([C@H](NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000822231034 606785285 /nfs/dbraw/zinc/78/52/85/606785285.db2.gz YBXBQMQQBSXONN-IBGZPJMESA-N -1 3 397.866 3.475 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822035357 606785317 /nfs/dbraw/zinc/78/53/17/606785317.db2.gz TWYIRYAGVPMDCY-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822035357 606785319 /nfs/dbraw/zinc/78/53/19/606785319.db2.gz TWYIRYAGVPMDCY-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000822136091 606785831 /nfs/dbraw/zinc/78/58/31/606785831.db2.gz JAAAUQATGYOGPP-KUHUBIRLSA-N -1 3 393.447 3.265 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000822136091 606785832 /nfs/dbraw/zinc/78/58/32/606785832.db2.gz JAAAUQATGYOGPP-KUHUBIRLSA-N -1 3 393.447 3.265 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)N1CCSc2ccccc21 ZINC000823032438 606786410 /nfs/dbraw/zinc/78/64/10/606786410.db2.gz UPOGDHRGIPSAER-UHFFFAOYSA-N -1 3 387.852 3.038 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)N1CCSc2ccccc21 ZINC000823032438 606786411 /nfs/dbraw/zinc/78/64/11/606786411.db2.gz UPOGDHRGIPSAER-UHFFFAOYSA-N -1 3 387.852 3.038 20 0 GGADHM O=C(C1CCCC1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000822917759 606792340 /nfs/dbraw/zinc/79/23/40/606792340.db2.gz WJAZERYMYUFATI-ZDUSSCGKSA-N -1 3 394.401 3.089 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@@H](C)C[C@H](C)O)cc1 ZINC000822143983 606792957 /nfs/dbraw/zinc/79/29/57/606792957.db2.gz IXQITPZPDMMHAO-ZFWWWQNUSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@@H](C)C[C@H](C)O)cc1 ZINC000822143983 606792959 /nfs/dbraw/zinc/79/29/59/606792959.db2.gz IXQITPZPDMMHAO-ZFWWWQNUSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1nn(C)cc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000822146203 606795054 /nfs/dbraw/zinc/79/50/54/606795054.db2.gz WEHJNZPULSBVSF-UHFFFAOYSA-N -1 3 389.419 3.262 20 0 GGADHM Cc1nn(C)cc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822146203 606795056 /nfs/dbraw/zinc/79/50/56/606795056.db2.gz WEHJNZPULSBVSF-UHFFFAOYSA-N -1 3 389.419 3.262 20 0 GGADHM CC[C@H](O)CCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820932196 606796087 /nfs/dbraw/zinc/79/60/87/606796087.db2.gz MFEZSEREIMFRLC-KRWDZBQOSA-N -1 3 395.463 3.248 20 0 GGADHM CC[C@H](O)CCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820932196 606796089 /nfs/dbraw/zinc/79/60/89/606796089.db2.gz MFEZSEREIMFRLC-KRWDZBQOSA-N -1 3 395.463 3.248 20 0 GGADHM Cc1nsc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000822535569 606796664 /nfs/dbraw/zinc/79/66/64/606796664.db2.gz WXVBAPKXJVXKSR-UHFFFAOYSA-N -1 3 393.432 3.380 20 0 GGADHM O=C(CCc1nc(C2CCCC2)no1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822986550 606809955 /nfs/dbraw/zinc/80/99/55/606809955.db2.gz HDBLDCRXUIEBHS-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM O=C(CCc1nc(C2CCCC2)no1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822986550 606809957 /nfs/dbraw/zinc/80/99/57/606809957.db2.gz HDBLDCRXUIEBHS-UHFFFAOYSA-N -1 3 387.831 3.132 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(-c2ccc(F)cc2)on1 ZINC000823383735 606810021 /nfs/dbraw/zinc/81/00/21/606810021.db2.gz YVGRRGGGHRCTME-UHFFFAOYSA-N -1 3 396.407 3.463 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(-c2ccc(F)cc2)on1 ZINC000823383735 606810024 /nfs/dbraw/zinc/81/00/24/606810024.db2.gz YVGRRGGGHRCTME-UHFFFAOYSA-N -1 3 396.407 3.463 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820876839 606812323 /nfs/dbraw/zinc/81/23/23/606812323.db2.gz UTXYCCAEOFHYJZ-OAHLLOKOSA-N -1 3 379.464 3.211 20 0 GGADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820876839 606812325 /nfs/dbraw/zinc/81/23/25/606812325.db2.gz UTXYCCAEOFHYJZ-OAHLLOKOSA-N -1 3 379.464 3.211 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822239958 606814288 /nfs/dbraw/zinc/81/42/88/606814288.db2.gz MJRZAOQVZHXCQX-QGZVFWFLSA-N -1 3 382.855 3.436 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCC(=O)N(C(C)C)C1CCCC1 ZINC000821699185 606823653 /nfs/dbraw/zinc/82/36/53/606823653.db2.gz FQIKZBZPNQIKEA-UHFFFAOYSA-N -1 3 393.875 3.087 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCC(=O)N(C(C)C)C1CCCC1 ZINC000821699185 606823655 /nfs/dbraw/zinc/82/36/55/606823655.db2.gz FQIKZBZPNQIKEA-UHFFFAOYSA-N -1 3 393.875 3.087 20 0 GGADHM CC[C@@H](CCO)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820902798 606823752 /nfs/dbraw/zinc/82/37/52/606823752.db2.gz NVQILTCFYKBYJH-HNNXBMFYSA-N -1 3 395.463 3.106 20 0 GGADHM CC[C@@H](CCO)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820902798 606823754 /nfs/dbraw/zinc/82/37/54/606823754.db2.gz NVQILTCFYKBYJH-HNNXBMFYSA-N -1 3 395.463 3.106 20 0 GGADHM O=C(Nc1ccc2cccc(Br)c2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823357468 606827167 /nfs/dbraw/zinc/82/71/67/606827167.db2.gz VTMRHULVCIDTES-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1ccc2cccc(Br)c2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823357468 606827170 /nfs/dbraw/zinc/82/71/70/606827170.db2.gz VTMRHULVCIDTES-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1ccc2cccc(Br)c2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823357272 606827405 /nfs/dbraw/zinc/82/74/05/606827405.db2.gz SPTMAIBYUOKSQQ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1ccc2cccc(Br)c2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823357272 606827407 /nfs/dbraw/zinc/82/74/07/606827407.db2.gz SPTMAIBYUOKSQQ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000822220477 606827536 /nfs/dbraw/zinc/82/75/36/606827536.db2.gz SPOAOASSGJRVHH-LBPRGKRZSA-N -1 3 386.406 3.085 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000822220477 606827537 /nfs/dbraw/zinc/82/75/37/606827537.db2.gz SPOAOASSGJRVHH-LBPRGKRZSA-N -1 3 386.406 3.085 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000822220476 606827562 /nfs/dbraw/zinc/82/75/62/606827562.db2.gz SPOAOASSGJRVHH-GFCCVEGCSA-N -1 3 386.406 3.085 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000822220476 606827563 /nfs/dbraw/zinc/82/75/63/606827563.db2.gz SPOAOASSGJRVHH-GFCCVEGCSA-N -1 3 386.406 3.085 20 0 GGADHM CN(CCOCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821603836 606833363 /nfs/dbraw/zinc/83/33/63/606833363.db2.gz QOXMEVYGLYQJHN-UHFFFAOYSA-N -1 3 386.843 3.201 20 0 GGADHM CN(CCOCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821603836 606833364 /nfs/dbraw/zinc/83/33/64/606833364.db2.gz QOXMEVYGLYQJHN-UHFFFAOYSA-N -1 3 386.843 3.201 20 0 GGADHM Cc1ccc(OC(F)F)c(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822259120 606835140 /nfs/dbraw/zinc/83/51/40/606835140.db2.gz NCEJSYCHJQRHMU-UHFFFAOYSA-N -1 3 388.378 3.407 20 0 GGADHM Cc1ccc(OC(F)F)c(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822259120 606835141 /nfs/dbraw/zinc/83/51/41/606835141.db2.gz NCEJSYCHJQRHMU-UHFFFAOYSA-N -1 3 388.378 3.407 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cnn1C ZINC000822104508 606835218 /nfs/dbraw/zinc/83/52/18/606835218.db2.gz NSQXKZGRZYOGSE-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cnn1C ZINC000822104508 606835220 /nfs/dbraw/zinc/83/52/20/606835220.db2.gz NSQXKZGRZYOGSE-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)n1-c1ccccc1 ZINC000822515546 606836482 /nfs/dbraw/zinc/83/64/82/606836482.db2.gz NVYCNICEOKTQJB-UHFFFAOYSA-N -1 3 393.476 3.317 20 0 GGADHM Cc1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)n1-c1ccccc1 ZINC000822515546 606836484 /nfs/dbraw/zinc/83/64/84/606836484.db2.gz NVYCNICEOKTQJB-UHFFFAOYSA-N -1 3 393.476 3.317 20 0 GGADHM c1csc(Cc2nc(SCCCOc3cccc(-c4nn[n-]n4)c3)n[nH]2)c1 ZINC000823761989 606836808 /nfs/dbraw/zinc/83/68/08/606836808.db2.gz DBXJCSWJWMPRFQ-UHFFFAOYSA-N -1 3 399.505 3.198 20 0 GGADHM c1cnc(Oc2cccc(OCCCOc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000823810502 606838744 /nfs/dbraw/zinc/83/87/44/606838744.db2.gz ZGSYBQCSRKTAQE-UHFFFAOYSA-N -1 3 390.403 3.297 20 0 GGADHM c1cnc(Oc2cccc(OCCCOc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000823810502 606838747 /nfs/dbraw/zinc/83/87/47/606838747.db2.gz ZGSYBQCSRKTAQE-UHFFFAOYSA-N -1 3 390.403 3.297 20 0 GGADHM CCC(CC)NC(=O)[C@@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820897370 606840773 /nfs/dbraw/zinc/84/07/73/606840773.db2.gz BPDZSVDGCPKHJL-CYBMUJFWSA-N -1 3 377.514 3.062 20 0 GGADHM CCC(CC)NC(=O)[C@@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820897370 606840775 /nfs/dbraw/zinc/84/07/75/606840775.db2.gz BPDZSVDGCPKHJL-CYBMUJFWSA-N -1 3 377.514 3.062 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000820031328 606843409 /nfs/dbraw/zinc/84/34/09/606843409.db2.gz CGUGJRKXGHMICD-KRWDZBQOSA-N -1 3 389.456 3.024 20 0 GGADHM CCCCSc1nnc(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821077463 606847284 /nfs/dbraw/zinc/84/72/84/606847284.db2.gz GRTMWUXJZQKUEK-LBPRGKRZSA-N -1 3 394.551 3.436 20 0 GGADHM CCCCSc1nnc(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821077463 606847286 /nfs/dbraw/zinc/84/72/86/606847286.db2.gz GRTMWUXJZQKUEK-LBPRGKRZSA-N -1 3 394.551 3.436 20 0 GGADHM Cc1cccc(-n2ccnc2SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822284274 606847785 /nfs/dbraw/zinc/84/77/85/606847785.db2.gz NJLMSGQFGIXZSW-KRWDZBQOSA-N -1 3 378.461 3.187 20 0 GGADHM Cc1cccc(-n2ccnc2SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822284274 606847786 /nfs/dbraw/zinc/84/77/86/606847786.db2.gz NJLMSGQFGIXZSW-KRWDZBQOSA-N -1 3 378.461 3.187 20 0 GGADHM CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820549834 606851016 /nfs/dbraw/zinc/85/10/16/606851016.db2.gz SDUNEJJWKXBMFI-JTQLQIEISA-N -1 3 391.888 3.417 20 0 GGADHM CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820549834 606851017 /nfs/dbraw/zinc/85/10/17/606851017.db2.gz SDUNEJJWKXBMFI-JTQLQIEISA-N -1 3 391.888 3.417 20 0 GGADHM CN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821614569 606851642 /nfs/dbraw/zinc/85/16/42/606851642.db2.gz LEERQSXJVJDDFZ-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM CN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821614569 606851643 /nfs/dbraw/zinc/85/16/43/606851643.db2.gz LEERQSXJVJDDFZ-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM COC(=O)[C@@H](NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642013 606862968 /nfs/dbraw/zinc/86/29/68/606862968.db2.gz CAWZHMXHDWZGSU-IBGZPJMESA-N -1 3 391.475 3.083 20 0 GGADHM COC(=O)[C@@H](NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642013 606862969 /nfs/dbraw/zinc/86/29/69/606862969.db2.gz CAWZHMXHDWZGSU-IBGZPJMESA-N -1 3 391.475 3.083 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823257254 606863523 /nfs/dbraw/zinc/86/35/23/606863523.db2.gz GIQWPXRUVJTVCM-KRWDZBQOSA-N -1 3 390.447 3.112 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823257254 606863524 /nfs/dbraw/zinc/86/35/24/606863524.db2.gz GIQWPXRUVJTVCM-KRWDZBQOSA-N -1 3 390.447 3.112 20 0 GGADHM COc1ccc(C(C)(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1OC ZINC000821772760 606864036 /nfs/dbraw/zinc/86/40/36/606864036.db2.gz OSEOBMZTKWXBTC-UHFFFAOYSA-N -1 3 381.436 3.109 20 0 GGADHM COc1ccc(C(C)(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1OC ZINC000821772760 606864037 /nfs/dbraw/zinc/86/40/37/606864037.db2.gz OSEOBMZTKWXBTC-UHFFFAOYSA-N -1 3 381.436 3.109 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000821105218 606866459 /nfs/dbraw/zinc/86/64/59/606866459.db2.gz ZCGNFNQLTLDHMI-UHFFFAOYSA-N -1 3 379.468 3.231 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000821105218 606866462 /nfs/dbraw/zinc/86/64/62/606866462.db2.gz ZCGNFNQLTLDHMI-UHFFFAOYSA-N -1 3 379.468 3.231 20 0 GGADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)O1 ZINC000820675158 606869816 /nfs/dbraw/zinc/86/98/16/606869816.db2.gz ICHVKIPYVYFNGH-IFXJQAMLSA-N -1 3 395.438 3.102 20 0 GGADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)O1 ZINC000820675158 606869818 /nfs/dbraw/zinc/86/98/18/606869818.db2.gz ICHVKIPYVYFNGH-IFXJQAMLSA-N -1 3 395.438 3.102 20 0 GGADHM Cn1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)c1 ZINC000822684606 606870393 /nfs/dbraw/zinc/87/03/93/606870393.db2.gz DPUHTBBPTSUSPX-UHFFFAOYSA-N -1 3 390.422 3.187 20 0 GGADHM Cn1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)c1 ZINC000822684606 606870395 /nfs/dbraw/zinc/87/03/95/606870395.db2.gz DPUHTBBPTSUSPX-UHFFFAOYSA-N -1 3 390.422 3.187 20 0 GGADHM C[C@H](NC(=O)N[C@H]1COc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820360165 606870898 /nfs/dbraw/zinc/87/08/98/606870898.db2.gz XPJPSJAUMGHFOU-BONVTDFDSA-N -1 3 384.827 3.014 20 0 GGADHM C[C@H](NC(=O)N[C@H]1COc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820360165 606870899 /nfs/dbraw/zinc/87/08/99/606870899.db2.gz XPJPSJAUMGHFOU-BONVTDFDSA-N -1 3 384.827 3.014 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)O1 ZINC000820678101 606873339 /nfs/dbraw/zinc/87/33/39/606873339.db2.gz SSOSZTPEEUOMKM-SGTLLEGYSA-N -1 3 397.410 3.091 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)O1 ZINC000820678101 606873340 /nfs/dbraw/zinc/87/33/40/606873340.db2.gz SSOSZTPEEUOMKM-SGTLLEGYSA-N -1 3 397.410 3.091 20 0 GGADHM COc1ccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1F ZINC000821828606 606874815 /nfs/dbraw/zinc/87/48/15/606874815.db2.gz ZSXBHEMKSDROBY-GOSISDBHSA-N -1 3 399.426 3.081 20 0 GGADHM COc1ccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1F ZINC000821828606 606874816 /nfs/dbraw/zinc/87/48/16/606874816.db2.gz ZSXBHEMKSDROBY-GOSISDBHSA-N -1 3 399.426 3.081 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(c2cccs2)CC1 ZINC000822337366 606876010 /nfs/dbraw/zinc/87/60/10/606876010.db2.gz XPCPWGAWTZIVSI-UHFFFAOYSA-N -1 3 377.477 3.111 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(c2cccs2)CC1 ZINC000822337366 606876012 /nfs/dbraw/zinc/87/60/12/606876012.db2.gz XPCPWGAWTZIVSI-UHFFFAOYSA-N -1 3 377.477 3.111 20 0 GGADHM c1cn(C2CCCC2)nc1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823761959 606896551 /nfs/dbraw/zinc/89/65/51/606896551.db2.gz BTFIWXGDCAOJAL-UHFFFAOYSA-N -1 3 393.495 3.222 20 0 GGADHM c1cn(C2CCCC2)nc1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823761959 606896552 /nfs/dbraw/zinc/89/65/52/606896552.db2.gz BTFIWXGDCAOJAL-UHFFFAOYSA-N -1 3 393.495 3.222 20 0 GGADHM COC1CCC(OC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821680003 606897718 /nfs/dbraw/zinc/89/77/18/606897718.db2.gz VZEYITBXUKQESJ-UHFFFAOYSA-N -1 3 398.419 3.153 20 0 GGADHM COC1CCC(OC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821680003 606897719 /nfs/dbraw/zinc/89/77/19/606897719.db2.gz VZEYITBXUKQESJ-UHFFFAOYSA-N -1 3 398.419 3.153 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COC/C=C\c1ccccc1 ZINC000821123218 606899894 /nfs/dbraw/zinc/89/98/94/606899894.db2.gz NCPJUDJIKBDMCB-TWGQIWQCSA-N -1 3 392.463 3.357 20 0 GGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cncc(-c2ccccc2)c1 ZINC000823409923 606901793 /nfs/dbraw/zinc/90/17/93/606901793.db2.gz OAGQKOKKAOTGAD-UHFFFAOYSA-N -1 3 387.399 3.165 20 0 GGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cncc(-c2ccccc2)c1 ZINC000823409923 606901796 /nfs/dbraw/zinc/90/17/96/606901796.db2.gz OAGQKOKKAOTGAD-UHFFFAOYSA-N -1 3 387.399 3.165 20 0 GGADHM O=C(NC[C@@H](O)c1cc2ccccc2s1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823166012 606908612 /nfs/dbraw/zinc/90/86/12/606908612.db2.gz DMBRWJUXBGENPU-CQSZACIVSA-N -1 3 398.423 3.076 20 0 GGADHM O=C(NC[C@@H](O)c1cc2ccccc2s1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823166012 606908614 /nfs/dbraw/zinc/90/86/14/606908614.db2.gz DMBRWJUXBGENPU-CQSZACIVSA-N -1 3 398.423 3.076 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)O1 ZINC000820677160 606914910 /nfs/dbraw/zinc/91/49/10/606914910.db2.gz PRVXTSVVJTUESL-GTNSWQLSSA-N -1 3 383.383 3.304 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)O1 ZINC000820677160 606914911 /nfs/dbraw/zinc/91/49/11/606914911.db2.gz PRVXTSVVJTUESL-GTNSWQLSSA-N -1 3 383.383 3.304 20 0 GGADHM CCc1nnc(NCc2ccc(Br)s2)c(-c2nnn[n-]2)c1CC ZINC000821541864 606919341 /nfs/dbraw/zinc/91/93/41/606919341.db2.gz BMAQFUZBBAUXCD-UHFFFAOYSA-N -1 3 394.302 3.218 20 0 GGADHM CCc1nnc(NCc2ccc(Br)s2)c(-c2nn[n-]n2)c1CC ZINC000821541864 606919343 /nfs/dbraw/zinc/91/93/43/606919343.db2.gz BMAQFUZBBAUXCD-UHFFFAOYSA-N -1 3 394.302 3.218 20 0 GGADHM CCNC(=O)c1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000821294119 606920340 /nfs/dbraw/zinc/92/03/40/606920340.db2.gz SFLCHXFEHJKBGN-UHFFFAOYSA-N -1 3 390.369 3.247 20 0 GGADHM CCNC(=O)c1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000821294119 606920341 /nfs/dbraw/zinc/92/03/41/606920341.db2.gz SFLCHXFEHJKBGN-UHFFFAOYSA-N -1 3 390.369 3.247 20 0 GGADHM CCc1nnc(N[C@H](C)c2cc(OC)c(OC)cc2C)c(-c2nnn[n-]2)c1CC ZINC000821529162 606920870 /nfs/dbraw/zinc/92/08/70/606920870.db2.gz UQJDNPNZVRZSEM-GFCCVEGCSA-N -1 3 397.483 3.280 20 0 GGADHM CCc1nnc(N[C@H](C)c2cc(OC)c(OC)cc2C)c(-c2nn[n-]n2)c1CC ZINC000821529162 606920871 /nfs/dbraw/zinc/92/08/71/606920871.db2.gz UQJDNPNZVRZSEM-GFCCVEGCSA-N -1 3 397.483 3.280 20 0 GGADHM CCc1nnc(NCc2ccnc(OC3CCCC3)c2)c(-c2nnn[n-]2)c1CC ZINC000821542645 606921462 /nfs/dbraw/zinc/92/14/62/606921462.db2.gz VVIFLPOGFSMONR-UHFFFAOYSA-N -1 3 394.483 3.110 20 0 GGADHM CCc1nnc(NCc2ccnc(OC3CCCC3)c2)c(-c2nn[n-]n2)c1CC ZINC000821542645 606921463 /nfs/dbraw/zinc/92/14/63/606921463.db2.gz VVIFLPOGFSMONR-UHFFFAOYSA-N -1 3 394.483 3.110 20 0 GGADHM O=C(c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000823493216 606928022 /nfs/dbraw/zinc/92/80/22/606928022.db2.gz IQAPHCCAYXEHNR-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM O=C(c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000823493216 606928023 /nfs/dbraw/zinc/92/80/23/606928023.db2.gz IQAPHCCAYXEHNR-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM Cc1csc([C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CCO2)n1 ZINC000822409394 606928197 /nfs/dbraw/zinc/92/81/97/606928197.db2.gz SIYBLBKPIOSXMS-ZDUSSCGKSA-N -1 3 396.398 3.228 20 0 GGADHM Cc1csc([C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CCO2)n1 ZINC000822409394 606928199 /nfs/dbraw/zinc/92/81/99/606928199.db2.gz SIYBLBKPIOSXMS-ZDUSSCGKSA-N -1 3 396.398 3.228 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821009473 606928799 /nfs/dbraw/zinc/92/87/99/606928799.db2.gz SINIYOGHHHTYSP-GFCCVEGCSA-N -1 3 396.417 3.018 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821009473 606928800 /nfs/dbraw/zinc/92/88/00/606928800.db2.gz SINIYOGHHHTYSP-GFCCVEGCSA-N -1 3 396.417 3.018 20 0 GGADHM Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822169210 606929327 /nfs/dbraw/zinc/92/93/27/606929327.db2.gz ZLSOLAKPNUSMOA-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822169210 606929328 /nfs/dbraw/zinc/92/93/28/606929328.db2.gz ZLSOLAKPNUSMOA-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821083338 606936322 /nfs/dbraw/zinc/93/63/22/606936322.db2.gz YECINHROUCVOJK-UHFFFAOYSA-N -1 3 388.435 3.178 20 0 GGADHM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821083338 606936323 /nfs/dbraw/zinc/93/63/23/606936323.db2.gz YECINHROUCVOJK-UHFFFAOYSA-N -1 3 388.435 3.178 20 0 GGADHM O=C(Nc1ccc2cc(Br)ccc2c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823357423 606937273 /nfs/dbraw/zinc/93/72/73/606937273.db2.gz UWFJKGKWIHRLBS-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1ccc2cc(Br)ccc2c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823357423 606937275 /nfs/dbraw/zinc/93/72/75/606937275.db2.gz UWFJKGKWIHRLBS-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM Cc1cc([C@@](C)(O)CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(C)o1 ZINC000822191581 606939483 /nfs/dbraw/zinc/93/94/83/606939483.db2.gz KQRNJURBOKZMGN-INIZCTEOSA-N -1 3 381.358 3.415 20 0 GGADHM Cc1cc([C@@](C)(O)CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(C)o1 ZINC000822191581 606939484 /nfs/dbraw/zinc/93/94/84/606939484.db2.gz KQRNJURBOKZMGN-INIZCTEOSA-N -1 3 381.358 3.415 20 0 GGADHM CCc1nnc(N2CC[C@@H](CSc3ccccc3)C2)c(-c2nnn[n-]2)c1CC ZINC000821523174 606940086 /nfs/dbraw/zinc/94/00/86/606940086.db2.gz RCDFUDILZAUUJC-CQSZACIVSA-N -1 3 395.536 3.400 20 0 GGADHM CCc1nnc(N2CC[C@@H](CSc3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821523174 606940087 /nfs/dbraw/zinc/94/00/87/606940087.db2.gz RCDFUDILZAUUJC-CQSZACIVSA-N -1 3 395.536 3.400 20 0 GGADHM O=C(NCc1ccc(F)cn1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823253658 606940780 /nfs/dbraw/zinc/94/07/80/606940780.db2.gz KBCSQRTVPAMKLX-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM O=C(NCc1ccc(F)cn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823253658 606940781 /nfs/dbraw/zinc/94/07/81/606940781.db2.gz KBCSQRTVPAMKLX-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821612183 606942465 /nfs/dbraw/zinc/94/24/65/606942465.db2.gz MDVNMBPBRDRMJH-HHHXNRCGSA-N -1 3 395.410 3.259 20 0 GGADHM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821612183 606942467 /nfs/dbraw/zinc/94/24/67/606942467.db2.gz MDVNMBPBRDRMJH-HHHXNRCGSA-N -1 3 395.410 3.259 20 0 GGADHM Cc1noc(CCCOC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000822528273 606943629 /nfs/dbraw/zinc/94/36/29/606943629.db2.gz ZNLUFYAICXXMBL-UHFFFAOYSA-N -1 3 390.403 3.015 20 0 GGADHM Cc1noc(CCCOC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000822528273 606943630 /nfs/dbraw/zinc/94/36/30/606943630.db2.gz ZNLUFYAICXXMBL-UHFFFAOYSA-N -1 3 390.403 3.015 20 0 GGADHM CCc1nnc(NC[C@@H](O)c2cc3ccccc3s2)c(-c2nnn[n-]2)c1CC ZINC000821535765 606944470 /nfs/dbraw/zinc/94/44/70/606944470.db2.gz NXSZYLTURFABDX-CQSZACIVSA-N -1 3 395.492 3.142 20 0 GGADHM CCc1nnc(NC[C@@H](O)c2cc3ccccc3s2)c(-c2nn[n-]n2)c1CC ZINC000821535765 606944471 /nfs/dbraw/zinc/94/44/71/606944471.db2.gz NXSZYLTURFABDX-CQSZACIVSA-N -1 3 395.492 3.142 20 0 GGADHM Fc1cccc(N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1-c1nnn[n-]1 ZINC000822792491 606947388 /nfs/dbraw/zinc/94/73/88/606947388.db2.gz YOKOUCSCQVOSGZ-VIFPVBQESA-N -1 3 381.337 3.132 20 0 GGADHM Fc1cccc(N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1-c1nn[n-]n1 ZINC000822792491 606947389 /nfs/dbraw/zinc/94/73/89/606947389.db2.gz YOKOUCSCQVOSGZ-VIFPVBQESA-N -1 3 381.337 3.132 20 0 GGADHM C[C@@H](CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000820225342 606947900 /nfs/dbraw/zinc/94/79/00/606947900.db2.gz GXKRWTGNVVGTHR-HNNXBMFYSA-N -1 3 394.431 3.088 20 0 GGADHM C[C@@H](CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000820225342 606947902 /nfs/dbraw/zinc/94/79/02/606947902.db2.gz GXKRWTGNVVGTHR-HNNXBMFYSA-N -1 3 394.431 3.088 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCC2 ZINC000821357268 606948034 /nfs/dbraw/zinc/94/80/34/606948034.db2.gz BRMDUBFZIUJCNL-CABCVRRESA-N -1 3 390.875 3.332 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC000821357268 606948036 /nfs/dbraw/zinc/94/80/36/606948036.db2.gz BRMDUBFZIUJCNL-CABCVRRESA-N -1 3 390.875 3.332 20 0 GGADHM COc1ccccc1C(C)(C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821883323 606948195 /nfs/dbraw/zinc/94/81/95/606948195.db2.gz SXBIPUZULUKYSA-UHFFFAOYSA-N -1 3 396.447 3.165 20 0 GGADHM COc1ccccc1C(C)(C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821883323 606948196 /nfs/dbraw/zinc/94/81/96/606948196.db2.gz SXBIPUZULUKYSA-UHFFFAOYSA-N -1 3 396.447 3.165 20 0 GGADHM CC[C@@H](O)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000820931343 606952350 /nfs/dbraw/zinc/95/23/50/606952350.db2.gz FHIRLOABMNKSGX-OAHLLOKOSA-N -1 3 396.451 3.250 20 0 GGADHM CC[C@@H](O)CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000820931343 606952352 /nfs/dbraw/zinc/95/23/52/606952352.db2.gz FHIRLOABMNKSGX-OAHLLOKOSA-N -1 3 396.451 3.250 20 0 GGADHM C[C@]1(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCCS1 ZINC000820618937 606954259 /nfs/dbraw/zinc/95/42/59/606954259.db2.gz UAYMXOMBLWMMDU-LJQANCHMSA-N -1 3 399.476 3.054 20 0 GGADHM C[C@]1(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCCS1 ZINC000820618937 606954260 /nfs/dbraw/zinc/95/42/60/606954260.db2.gz UAYMXOMBLWMMDU-LJQANCHMSA-N -1 3 399.476 3.054 20 0 GGADHM CCc1c(C)sc(NC(=O)COC/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC000821465669 606957129 /nfs/dbraw/zinc/95/71/29/606957129.db2.gz NDPLMYBZRJOAMX-JXMROGBWSA-N -1 3 383.477 3.468 20 0 GGADHM CCc1c(C)sc(NC(=O)COC/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000821465669 606957131 /nfs/dbraw/zinc/95/71/31/606957131.db2.gz NDPLMYBZRJOAMX-JXMROGBWSA-N -1 3 383.477 3.468 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820949523 606957393 /nfs/dbraw/zinc/95/73/93/606957393.db2.gz BWVSTYRRTRLKCS-HXUWFJFHSA-N -1 3 381.436 3.301 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820949523 606957395 /nfs/dbraw/zinc/95/73/95/606957395.db2.gz BWVSTYRRTRLKCS-HXUWFJFHSA-N -1 3 381.436 3.301 20 0 GGADHM CCC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000821021931 606957821 /nfs/dbraw/zinc/95/78/21/606957821.db2.gz QBBYOFMJDFASOY-QGZVFWFLSA-N -1 3 386.406 3.486 20 0 GGADHM CCC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821021931 606957823 /nfs/dbraw/zinc/95/78/23/606957823.db2.gz QBBYOFMJDFASOY-QGZVFWFLSA-N -1 3 386.406 3.486 20 0 GGADHM CN(C(=O)c1cc(-c2ccccc2)on1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571982 606958768 /nfs/dbraw/zinc/95/87/68/606958768.db2.gz NCYPECOMRFEZJR-UHFFFAOYSA-N -1 3 380.795 3.452 20 0 GGADHM CN(C(=O)c1cc(-c2ccccc2)on1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571982 606958770 /nfs/dbraw/zinc/95/87/70/606958770.db2.gz NCYPECOMRFEZJR-UHFFFAOYSA-N -1 3 380.795 3.452 20 0 GGADHM Cc1cc2c(cc1C)O[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)C2 ZINC000822212886 606959537 /nfs/dbraw/zinc/95/95/37/606959537.db2.gz LOKPMFMZPDQUHY-KRWDZBQOSA-N -1 3 383.839 3.103 20 0 GGADHM Cc1cc2c(cc1C)O[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)C2 ZINC000822212886 606959538 /nfs/dbraw/zinc/95/95/38/606959538.db2.gz LOKPMFMZPDQUHY-KRWDZBQOSA-N -1 3 383.839 3.103 20 0 GGADHM CO[C@@H](C)c1nc(C)c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000821674130 606963536 /nfs/dbraw/zinc/96/35/36/606963536.db2.gz USCXMSYHXHCAAV-VIFPVBQESA-N -1 3 392.872 3.269 20 0 GGADHM CO[C@@H](C)c1nc(C)c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000821674130 606963537 /nfs/dbraw/zinc/96/35/37/606963537.db2.gz USCXMSYHXHCAAV-VIFPVBQESA-N -1 3 392.872 3.269 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000821674129 606963618 /nfs/dbraw/zinc/96/36/18/606963618.db2.gz USCXMSYHXHCAAV-SECBINFHSA-N -1 3 392.872 3.269 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000821674129 606963619 /nfs/dbraw/zinc/96/36/19/606963619.db2.gz USCXMSYHXHCAAV-SECBINFHSA-N -1 3 392.872 3.269 20 0 GGADHM CN(C)c1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821589636 606964934 /nfs/dbraw/zinc/96/49/34/606964934.db2.gz WWFWHIGIGZUMPL-UHFFFAOYSA-N -1 3 384.871 3.182 20 0 GGADHM CN(C)c1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821589636 606964936 /nfs/dbraw/zinc/96/49/36/606964936.db2.gz WWFWHIGIGZUMPL-UHFFFAOYSA-N -1 3 384.871 3.182 20 0 GGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820051750 606967554 /nfs/dbraw/zinc/96/75/54/606967554.db2.gz VKUQNGONZOUMOL-IBGZPJMESA-N -1 3 394.454 3.471 20 0 GGADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820051750 606967556 /nfs/dbraw/zinc/96/75/56/606967556.db2.gz VKUQNGONZOUMOL-IBGZPJMESA-N -1 3 394.454 3.471 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823488912 606970378 /nfs/dbraw/zinc/97/03/78/606970378.db2.gz YJFUUQDRPKAXNB-VQTJNVASSA-N -1 3 391.475 3.375 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823488912 606970380 /nfs/dbraw/zinc/97/03/80/606970380.db2.gz YJFUUQDRPKAXNB-VQTJNVASSA-N -1 3 391.475 3.375 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000820528223 606973293 /nfs/dbraw/zinc/97/32/93/606973293.db2.gz MUNYSJSNOVXUFT-NWDGAFQWSA-N -1 3 399.401 3.058 20 0 GGADHM CN(C(=O)c1cc(Br)ccc1F)c1ccccc1-c1nnn[n-]1 ZINC000821573548 606973635 /nfs/dbraw/zinc/97/36/35/606973635.db2.gz VGPALFSMUYEVNF-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM CN(C(=O)c1cc(Br)ccc1F)c1ccccc1-c1nn[n-]n1 ZINC000821573548 606973636 /nfs/dbraw/zinc/97/36/36/606973636.db2.gz VGPALFSMUYEVNF-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000821346400 606976800 /nfs/dbraw/zinc/97/68/00/606976800.db2.gz HIXVOXDUPKMKQO-NSHDSACASA-N -1 3 376.461 3.192 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)Cc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000821346400 606976801 /nfs/dbraw/zinc/97/68/01/606976801.db2.gz HIXVOXDUPKMKQO-NSHDSACASA-N -1 3 376.461 3.192 20 0 GGADHM FC(F)(F)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822713897 606979121 /nfs/dbraw/zinc/97/91/21/606979121.db2.gz AZRDBKBGNQUEKT-AWEZNQCLSA-N -1 3 392.410 3.327 20 0 GGADHM FC(F)(F)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822713897 606979122 /nfs/dbraw/zinc/97/91/22/606979122.db2.gz AZRDBKBGNQUEKT-AWEZNQCLSA-N -1 3 392.410 3.327 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCCc1scnc1C ZINC000821699455 606982384 /nfs/dbraw/zinc/98/23/84/606982384.db2.gz QFQCMKJJAHEBTP-UHFFFAOYSA-N -1 3 396.270 3.024 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCCc1scnc1C ZINC000821699455 606982385 /nfs/dbraw/zinc/98/23/85/606982385.db2.gz QFQCMKJJAHEBTP-UHFFFAOYSA-N -1 3 396.270 3.024 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1sc(C)nc1C ZINC000821699438 606982406 /nfs/dbraw/zinc/98/24/06/606982406.db2.gz PTVXMMKXGCHRJK-UHFFFAOYSA-N -1 3 396.270 3.290 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1sc(C)nc1C ZINC000821699438 606982408 /nfs/dbraw/zinc/98/24/08/606982408.db2.gz PTVXMMKXGCHRJK-UHFFFAOYSA-N -1 3 396.270 3.290 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000819997419 606983524 /nfs/dbraw/zinc/98/35/24/606983524.db2.gz VIFNKJNGBYVTMU-MRXNPFEDSA-N -1 3 395.488 3.377 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000819997419 606983525 /nfs/dbraw/zinc/98/35/25/606983525.db2.gz VIFNKJNGBYVTMU-MRXNPFEDSA-N -1 3 395.488 3.377 20 0 GGADHM C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000820735411 606984224 /nfs/dbraw/zinc/98/42/24/606984224.db2.gz RXUDKZKZPWBBEE-AWEZNQCLSA-N -1 3 377.448 3.170 20 0 GGADHM C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000820735411 606984225 /nfs/dbraw/zinc/98/42/25/606984225.db2.gz RXUDKZKZPWBBEE-AWEZNQCLSA-N -1 3 377.448 3.170 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(F)c1 ZINC000821798667 606987603 /nfs/dbraw/zinc/98/76/03/606987603.db2.gz JBPJKYVVYNBMOT-UHFFFAOYSA-N -1 3 398.442 3.135 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(F)c1 ZINC000821798667 606987605 /nfs/dbraw/zinc/98/76/05/606987605.db2.gz JBPJKYVVYNBMOT-UHFFFAOYSA-N -1 3 398.442 3.135 20 0 GGADHM O=C(COc1ccc2ccccc2c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823040138 606989133 /nfs/dbraw/zinc/98/91/33/606989133.db2.gz DBYTYWVIFFFHDZ-UHFFFAOYSA-N -1 3 378.363 3.281 20 0 GGADHM O=C(COc1ccc2ccccc2c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823040138 606989134 /nfs/dbraw/zinc/98/91/34/606989134.db2.gz DBYTYWVIFFFHDZ-UHFFFAOYSA-N -1 3 378.363 3.281 20 0 GGADHM O=C(COc1cccc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823049551 606989412 /nfs/dbraw/zinc/98/94/12/606989412.db2.gz GVOSECLRPAEYJJ-UHFFFAOYSA-N -1 3 378.363 3.281 20 0 GGADHM O=C(COc1cccc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823049551 606989414 /nfs/dbraw/zinc/98/94/14/606989414.db2.gz GVOSECLRPAEYJJ-UHFFFAOYSA-N -1 3 378.363 3.281 20 0 GGADHM C/C=C\c1ccc(OCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000820833194 606989733 /nfs/dbraw/zinc/98/97/33/606989733.db2.gz SZXHDFHEWDEZOF-ARJAWSKDSA-N -1 3 398.394 3.170 20 0 GGADHM C/C=C\c1ccc(OCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000820833194 606989734 /nfs/dbraw/zinc/98/97/34/606989734.db2.gz SZXHDFHEWDEZOF-ARJAWSKDSA-N -1 3 398.394 3.170 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000823426158 606989862 /nfs/dbraw/zinc/98/98/62/606989862.db2.gz AZSCSEFNESHGBE-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000823426158 606989863 /nfs/dbraw/zinc/98/98/63/606989863.db2.gz AZSCSEFNESHGBE-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM Cc1ccc2ccccc2c1CS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822280478 606990545 /nfs/dbraw/zinc/99/05/45/606990545.db2.gz PDVBEBZMWCQODJ-UHFFFAOYSA-N -1 3 378.457 3.443 20 0 GGADHM Cc1ccc2ccccc2c1CS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822280478 606990548 /nfs/dbraw/zinc/99/05/48/606990548.db2.gz PDVBEBZMWCQODJ-UHFFFAOYSA-N -1 3 378.457 3.443 20 0 GGADHM O=C(CCCOc1ccc2c(c1)CCCC2)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000481791737 606991362 /nfs/dbraw/zinc/99/13/62/606991362.db2.gz VIMQWKSFYGLGAJ-UHFFFAOYSA-N -1 3 391.475 3.221 20 0 GGADHM O=C(CCCOc1ccc2c(c1)CCCC2)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000481791737 606991364 /nfs/dbraw/zinc/99/13/64/606991364.db2.gz VIMQWKSFYGLGAJ-UHFFFAOYSA-N -1 3 391.475 3.221 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822987152 606992598 /nfs/dbraw/zinc/99/25/98/606992598.db2.gz RDILPPZHWKOHFK-UHFFFAOYSA-N -1 3 393.378 3.337 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822987152 606992599 /nfs/dbraw/zinc/99/25/99/606992599.db2.gz RDILPPZHWKOHFK-UHFFFAOYSA-N -1 3 393.378 3.337 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2ccccc2)n1 ZINC000823427131 606993166 /nfs/dbraw/zinc/99/31/66/606993166.db2.gz XSUNAQGLWLJZRG-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccccc2)n1 ZINC000823427131 606993167 /nfs/dbraw/zinc/99/31/67/606993167.db2.gz XSUNAQGLWLJZRG-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823055635 606994549 /nfs/dbraw/zinc/99/45/49/606994549.db2.gz UIRLIXDFCXIFJG-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823055635 606994550 /nfs/dbraw/zinc/99/45/50/606994550.db2.gz UIRLIXDFCXIFJG-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(Cc1ccc(-n2cccc2)cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823083160 606994665 /nfs/dbraw/zinc/99/46/65/606994665.db2.gz ZKPRAEBYXAFHIG-UHFFFAOYSA-N -1 3 377.379 3.082 20 0 GGADHM O=C(Cc1ccc(-n2cccc2)cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823083160 606994667 /nfs/dbraw/zinc/99/46/67/606994667.db2.gz ZKPRAEBYXAFHIG-UHFFFAOYSA-N -1 3 377.379 3.082 20 0 GGADHM Cc1ccccc1C1(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000822352385 606997462 /nfs/dbraw/zinc/99/74/62/606997462.db2.gz YHWLINTXSOJFHB-UHFFFAOYSA-N -1 3 396.422 3.106 20 0 GGADHM Cc1ccccc1C1(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000822352385 606997463 /nfs/dbraw/zinc/99/74/63/606997463.db2.gz YHWLINTXSOJFHB-UHFFFAOYSA-N -1 3 396.422 3.106 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2ccc(O)cc2)n1 ZINC000823426405 606999454 /nfs/dbraw/zinc/99/94/54/606999454.db2.gz HBYCXVBDWRXZGK-UHFFFAOYSA-N -1 3 397.391 3.192 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccc(O)cc2)n1 ZINC000823426405 606999455 /nfs/dbraw/zinc/99/94/55/606999455.db2.gz HBYCXVBDWRXZGK-UHFFFAOYSA-N -1 3 397.391 3.192 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC000823421964 607002704 /nfs/dbraw/zinc/00/27/04/607002704.db2.gz LGHIAPHIUSFIDJ-LJQANCHMSA-N -1 3 395.438 3.104 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC000823421964 607002706 /nfs/dbraw/zinc/00/27/06/607002706.db2.gz LGHIAPHIUSFIDJ-LJQANCHMSA-N -1 3 395.438 3.104 20 0 GGADHM COc1ccc(-n2ccnc2SCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821768959 607007016 /nfs/dbraw/zinc/00/70/16/607007016.db2.gz BWCDLFZNUFRSIL-UHFFFAOYSA-N -1 3 382.424 3.492 20 0 GGADHM COc1ccc(-n2ccnc2SCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821768959 607007018 /nfs/dbraw/zinc/00/70/18/607007018.db2.gz BWCDLFZNUFRSIL-UHFFFAOYSA-N -1 3 382.424 3.492 20 0 GGADHM Cc1cccc(-c2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)n2C)c1 ZINC000822284038 607007056 /nfs/dbraw/zinc/00/70/56/607007056.db2.gz GYSUSKTZRQLTRD-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM Cc1cccc(-c2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)n2C)c1 ZINC000822284038 607007057 /nfs/dbraw/zinc/00/70/57/607007057.db2.gz GYSUSKTZRQLTRD-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM Cc1nc2c3ccccc3nc(SCc3ccc(F)c(-c4nnn[n-]4)c3)n2n1 ZINC000822459545 607007414 /nfs/dbraw/zinc/00/74/14/607007414.db2.gz RLCQEWSSXJWAQK-UHFFFAOYSA-N -1 3 392.423 3.197 20 0 GGADHM Cc1nc2c3ccccc3nc(SCc3ccc(F)c(-c4nn[n-]n4)c3)n2n1 ZINC000822459545 607007416 /nfs/dbraw/zinc/00/74/16/607007416.db2.gz RLCQEWSSXJWAQK-UHFFFAOYSA-N -1 3 392.423 3.197 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)n1 ZINC000822299576 607009448 /nfs/dbraw/zinc/00/94/48/607009448.db2.gz NNXTVKWKIICEQL-INIZCTEOSA-N -1 3 394.483 3.496 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)n1 ZINC000822299576 607009449 /nfs/dbraw/zinc/00/94/49/607009449.db2.gz NNXTVKWKIICEQL-INIZCTEOSA-N -1 3 394.483 3.496 20 0 GGADHM Fc1ccc(CSc2nnc(CCc3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000822774254 607010862 /nfs/dbraw/zinc/01/08/62/607010862.db2.gz IATMDCGGDAWJGR-UHFFFAOYSA-N -1 3 382.424 3.466 20 0 GGADHM Fc1ccc(CSc2nnc(CCc3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000822774254 607010865 /nfs/dbraw/zinc/01/08/65/607010865.db2.gz IATMDCGGDAWJGR-UHFFFAOYSA-N -1 3 382.424 3.466 20 0 GGADHM CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1cccnc1 ZINC000821564133 607015977 /nfs/dbraw/zinc/01/59/77/607015977.db2.gz UXGIXWRITIKVEH-GFCCVEGCSA-N -1 3 378.465 3.393 20 0 GGADHM CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1cccnc1 ZINC000821564133 607015979 /nfs/dbraw/zinc/01/59/79/607015979.db2.gz UXGIXWRITIKVEH-GFCCVEGCSA-N -1 3 378.465 3.393 20 0 GGADHM CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573247 607019914 /nfs/dbraw/zinc/01/99/14/607019914.db2.gz HILZLTZPHMXXKV-ZDUSSCGKSA-N -1 3 398.776 3.234 20 0 GGADHM CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573247 607019917 /nfs/dbraw/zinc/01/99/17/607019917.db2.gz HILZLTZPHMXXKV-ZDUSSCGKSA-N -1 3 398.776 3.234 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000819992452 607021924 /nfs/dbraw/zinc/02/19/24/607021924.db2.gz XORGNQPTEBJINP-INIZCTEOSA-N -1 3 395.438 3.179 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000819992452 607021926 /nfs/dbraw/zinc/02/19/26/607021926.db2.gz XORGNQPTEBJINP-INIZCTEOSA-N -1 3 395.438 3.179 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)Oc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822275353 607022969 /nfs/dbraw/zinc/02/29/69/607022969.db2.gz RGOFDQPZXATFCD-SFHVURJKSA-N -1 3 377.448 3.136 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822275353 607022971 /nfs/dbraw/zinc/02/29/71/607022971.db2.gz RGOFDQPZXATFCD-SFHVURJKSA-N -1 3 377.448 3.136 20 0 GGADHM CCOc1cc(Cl)ccc1N[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821394875 607023777 /nfs/dbraw/zinc/02/37/77/607023777.db2.gz PCCTZZZVPHSKBU-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM CCOc1cc(Cl)ccc1N[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821394875 607023779 /nfs/dbraw/zinc/02/37/79/607023779.db2.gz PCCTZZZVPHSKBU-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820328087 607024106 /nfs/dbraw/zinc/02/41/06/607024106.db2.gz MFECIHHSBVRTDK-AWEZNQCLSA-N -1 3 377.448 3.002 20 0 GGADHM C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820328087 607024107 /nfs/dbraw/zinc/02/41/07/607024107.db2.gz MFECIHHSBVRTDK-AWEZNQCLSA-N -1 3 377.448 3.002 20 0 GGADHM Cc1ccc(OCCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822262510 607024794 /nfs/dbraw/zinc/02/47/94/607024794.db2.gz ANLAFGIXXONCFB-UHFFFAOYSA-N -1 3 383.427 3.098 20 0 GGADHM Cc1ccc(OCCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822262510 607024796 /nfs/dbraw/zinc/02/47/96/607024796.db2.gz ANLAFGIXXONCFB-UHFFFAOYSA-N -1 3 383.427 3.098 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000820295083 607028315 /nfs/dbraw/zinc/02/83/15/607028315.db2.gz XRNNPGYWNWOFKJ-SECBINFHSA-N -1 3 377.221 3.206 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000820295083 607028316 /nfs/dbraw/zinc/02/83/16/607028316.db2.gz XRNNPGYWNWOFKJ-SECBINFHSA-N -1 3 377.221 3.206 20 0 GGADHM Cc1cc(=O)[nH]cc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822162229 607033202 /nfs/dbraw/zinc/03/32/02/607033202.db2.gz ZEFRQMQTTTYXNT-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(=O)[nH]cc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822162229 607033204 /nfs/dbraw/zinc/03/32/04/607033204.db2.gz ZEFRQMQTTTYXNT-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823078376 607035258 /nfs/dbraw/zinc/03/52/58/607035258.db2.gz KTADBVNPAOPRQW-SFHVURJKSA-N -1 3 389.459 3.362 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823078376 607035260 /nfs/dbraw/zinc/03/52/60/607035260.db2.gz KTADBVNPAOPRQW-SFHVURJKSA-N -1 3 389.459 3.362 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823308555 607036897 /nfs/dbraw/zinc/03/68/97/607036897.db2.gz FBZNDFRQWFAXIM-IAGOWNOFSA-N -1 3 396.451 3.360 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823308555 607036898 /nfs/dbraw/zinc/03/68/98/607036898.db2.gz FBZNDFRQWFAXIM-IAGOWNOFSA-N -1 3 396.451 3.360 20 0 GGADHM Cc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)n2C)cc1 ZINC000822215148 607037753 /nfs/dbraw/zinc/03/77/53/607037753.db2.gz NQVHMCKRFAOYQI-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM Cc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)n2C)cc1 ZINC000822215148 607037755 /nfs/dbraw/zinc/03/77/55/607037755.db2.gz NQVHMCKRFAOYQI-UHFFFAOYSA-N -1 3 381.440 3.402 20 0 GGADHM Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)n1Cc1ccccc1 ZINC000822515862 607037906 /nfs/dbraw/zinc/03/79/06/607037906.db2.gz QWZXBJMPTFEXOZ-UHFFFAOYSA-N -1 3 381.440 3.246 20 0 GGADHM Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)n1Cc1ccccc1 ZINC000822515862 607037907 /nfs/dbraw/zinc/03/79/07/607037907.db2.gz QWZXBJMPTFEXOZ-UHFFFAOYSA-N -1 3 381.440 3.246 20 0 GGADHM COc1cccc([C@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)c1 ZINC000821863510 607040028 /nfs/dbraw/zinc/04/00/28/607040028.db2.gz MHPKIUVBSHJIEJ-LJQANCHMSA-N -1 3 388.431 3.001 20 0 GGADHM COc1cccc([C@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)c1 ZINC000821863510 607040030 /nfs/dbraw/zinc/04/00/30/607040030.db2.gz MHPKIUVBSHJIEJ-LJQANCHMSA-N -1 3 388.431 3.001 20 0 GGADHM Fc1cc(F)c2c(c1)CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CC2 ZINC000822753256 607040928 /nfs/dbraw/zinc/04/09/28/607040928.db2.gz KQHLPIZZVCSRHW-UHFFFAOYSA-N -1 3 382.296 3.121 20 0 GGADHM Fc1cc(F)c2c(c1)CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CC2 ZINC000822753256 607040930 /nfs/dbraw/zinc/04/09/30/607040930.db2.gz KQHLPIZZVCSRHW-UHFFFAOYSA-N -1 3 382.296 3.121 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000822221645 607042167 /nfs/dbraw/zinc/04/21/67/607042167.db2.gz ZDANNVKSUDQBRY-CYBMUJFWSA-N -1 3 385.855 3.427 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000822221645 607042168 /nfs/dbraw/zinc/04/21/68/607042168.db2.gz ZDANNVKSUDQBRY-CYBMUJFWSA-N -1 3 385.855 3.427 20 0 GGADHM Brc1ccc(OCc2noc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000819688848 607042192 /nfs/dbraw/zinc/04/21/92/607042192.db2.gz OUUFNQCIFVRIQN-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM Brc1ccc(OCc2noc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000819688848 607042193 /nfs/dbraw/zinc/04/21/93/607042193.db2.gz OUUFNQCIFVRIQN-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM CCS[C@@H](C)c1noc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)n1 ZINC000821449750 607043126 /nfs/dbraw/zinc/04/31/26/607043126.db2.gz XFSUFWMUKIDWIA-NSHDSACASA-N -1 3 396.480 3.248 20 0 GGADHM CCS[C@@H](C)c1noc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)n1 ZINC000821449750 607043128 /nfs/dbraw/zinc/04/31/28/607043128.db2.gz XFSUFWMUKIDWIA-NSHDSACASA-N -1 3 396.480 3.248 20 0 GGADHM Fc1nc(F)c(F)c(Oc2ccc(Br)cc2-c2nnn[n-]2)c1F ZINC000822796262 607046269 /nfs/dbraw/zinc/04/62/69/607046269.db2.gz OBKNATYOINVFSE-UHFFFAOYSA-N -1 3 390.094 3.373 20 0 GGADHM Fc1nc(F)c(F)c(Oc2ccc(Br)cc2-c2nn[n-]n2)c1F ZINC000822796262 607046271 /nfs/dbraw/zinc/04/62/71/607046271.db2.gz OBKNATYOINVFSE-UHFFFAOYSA-N -1 3 390.094 3.373 20 0 GGADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@H]1n1ccnc1 ZINC000820726887 607046944 /nfs/dbraw/zinc/04/69/44/607046944.db2.gz CNXWAGSMYPQEKK-YVEFUNNKSA-N -1 3 394.870 3.352 20 0 GGADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@H]1n1ccnc1 ZINC000820726887 607046946 /nfs/dbraw/zinc/04/69/46/607046946.db2.gz CNXWAGSMYPQEKK-YVEFUNNKSA-N -1 3 394.870 3.352 20 0 GGADHM O[C@@H](C[C@@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000823674907 607048080 /nfs/dbraw/zinc/04/80/80/607048080.db2.gz TYMOPOFLIOGAMO-ZFWWWQNUSA-N -1 3 388.859 3.381 20 0 GGADHM O[C@@H](C[C@@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000823674907 607048082 /nfs/dbraw/zinc/04/80/82/607048082.db2.gz TYMOPOFLIOGAMO-ZFWWWQNUSA-N -1 3 388.859 3.381 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc(Cl)sc1Cl ZINC000822222706 607049977 /nfs/dbraw/zinc/04/99/77/607049977.db2.gz QRDPSACFWPMVFJ-UHFFFAOYSA-N -1 3 391.261 3.311 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc(Cl)sc1Cl ZINC000822222706 607049978 /nfs/dbraw/zinc/04/99/78/607049978.db2.gz QRDPSACFWPMVFJ-UHFFFAOYSA-N -1 3 391.261 3.311 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822299254 607050686 /nfs/dbraw/zinc/05/06/86/607050686.db2.gz CIDGXDQVUFXMSE-RDTXWAMCSA-N -1 3 377.452 3.178 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822299254 607050687 /nfs/dbraw/zinc/05/06/87/607050687.db2.gz CIDGXDQVUFXMSE-RDTXWAMCSA-N -1 3 377.452 3.178 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821394427 607054354 /nfs/dbraw/zinc/05/43/54/607054354.db2.gz JUUDVJHDCWDUMQ-NSHDSACASA-N -1 3 387.827 3.325 20 0 GGADHM COc1cc(F)c([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821720709 607059592 /nfs/dbraw/zinc/05/95/92/607059592.db2.gz WLYVUEVWBVXMMV-SNVBAGLBSA-N -1 3 375.379 3.013 20 0 GGADHM COc1cc(F)c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821720709 607059594 /nfs/dbraw/zinc/05/95/94/607059594.db2.gz WLYVUEVWBVXMMV-SNVBAGLBSA-N -1 3 375.379 3.013 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000819991595 607060116 /nfs/dbraw/zinc/06/01/16/607060116.db2.gz JKTPXSQQYCLHDD-QFIPXVFZSA-N -1 3 391.475 3.214 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000819991595 607060119 /nfs/dbraw/zinc/06/01/19/607060119.db2.gz JKTPXSQQYCLHDD-QFIPXVFZSA-N -1 3 391.475 3.214 20 0 GGADHM CCS[C@H](C)c1noc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)n1 ZINC000821448186 607068616 /nfs/dbraw/zinc/06/86/16/607068616.db2.gz LZYDFLANZXYUKB-CYBMUJFWSA-N -1 3 387.513 3.474 20 0 GGADHM CCS[C@H](C)c1noc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)n1 ZINC000821448186 607068618 /nfs/dbraw/zinc/06/86/18/607068618.db2.gz LZYDFLANZXYUKB-CYBMUJFWSA-N -1 3 387.513 3.474 20 0 GGADHM C[C@H]1SCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]1C ZINC000820821380 607069803 /nfs/dbraw/zinc/06/98/03/607069803.db2.gz SONLIJZHDUNEFX-DTWKUNHWSA-N -1 3 386.403 3.243 20 0 GGADHM C[C@H]1SCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]1C ZINC000820821380 607069805 /nfs/dbraw/zinc/06/98/05/607069805.db2.gz SONLIJZHDUNEFX-DTWKUNHWSA-N -1 3 386.403 3.243 20 0 GGADHM Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822535065 607072255 /nfs/dbraw/zinc/07/22/55/607072255.db2.gz FNSLMIWFJCHGFE-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822535065 607072256 /nfs/dbraw/zinc/07/22/56/607072256.db2.gz FNSLMIWFJCHGFE-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1-c1ncco1 ZINC000822248906 607075106 /nfs/dbraw/zinc/07/51/06/607075106.db2.gz SUBCXGBVIAMTDV-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM Cc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1-c1ncco1 ZINC000822248906 607075107 /nfs/dbraw/zinc/07/51/07/607075107.db2.gz SUBCXGBVIAMTDV-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822299165 607076633 /nfs/dbraw/zinc/07/66/33/607076633.db2.gz ADXXLARWNIRJMN-GOSISDBHSA-N -1 3 394.504 3.167 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822299165 607076635 /nfs/dbraw/zinc/07/66/35/607076635.db2.gz ADXXLARWNIRJMN-GOSISDBHSA-N -1 3 394.504 3.167 20 0 GGADHM Cc1noc2nc(C(C)C)cc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)c12 ZINC000822531305 607077591 /nfs/dbraw/zinc/07/75/91/607077591.db2.gz YKAIQTLIZMWQTI-UHFFFAOYSA-N -1 3 396.382 3.331 20 0 GGADHM Cc1noc2nc(C(C)C)cc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)c12 ZINC000822531305 607077593 /nfs/dbraw/zinc/07/75/93/607077593.db2.gz YKAIQTLIZMWQTI-UHFFFAOYSA-N -1 3 396.382 3.331 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1nc(C2CC2)cs1 ZINC000822955263 607078821 /nfs/dbraw/zinc/07/88/21/607078821.db2.gz NSIIWPXTRMAAGH-UHFFFAOYSA-N -1 3 398.492 3.066 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1nc(C2CC2)cs1 ZINC000822955263 607078822 /nfs/dbraw/zinc/07/88/22/607078822.db2.gz NSIIWPXTRMAAGH-UHFFFAOYSA-N -1 3 398.492 3.066 20 0 GGADHM CCCOc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821133974 607079778 /nfs/dbraw/zinc/07/97/78/607079778.db2.gz JZBJTDGDCCUMEA-UHFFFAOYSA-N -1 3 382.420 3.419 20 0 GGADHM CCCOc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821133974 607079779 /nfs/dbraw/zinc/07/97/79/607079779.db2.gz JZBJTDGDCCUMEA-UHFFFAOYSA-N -1 3 382.420 3.419 20 0 GGADHM O=C(OC[C@H]1CCCOC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823396840 607081559 /nfs/dbraw/zinc/08/15/59/607081559.db2.gz OEMWVDQLRDKWAQ-INIZCTEOSA-N -1 3 394.431 3.029 20 0 GGADHM O=C(OC[C@H]1CCCOC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823396840 607081561 /nfs/dbraw/zinc/08/15/61/607081561.db2.gz OEMWVDQLRDKWAQ-INIZCTEOSA-N -1 3 394.431 3.029 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823397680 607082072 /nfs/dbraw/zinc/08/20/72/607082072.db2.gz YZBZZIJFZUMXGT-MRXNPFEDSA-N -1 3 394.431 3.029 20 0 GGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2 ZINC000820481559 607082878 /nfs/dbraw/zinc/08/28/78/607082878.db2.gz XJCKJUSZRZLMNB-LBPRGKRZSA-N -1 3 396.403 3.057 20 0 GGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC000820481559 607082880 /nfs/dbraw/zinc/08/28/80/607082880.db2.gz XJCKJUSZRZLMNB-LBPRGKRZSA-N -1 3 396.403 3.057 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821984689 607084352 /nfs/dbraw/zinc/08/43/52/607084352.db2.gz RPHCGWDAZDNIFC-NSHDSACASA-N -1 3 388.424 3.238 20 0 GGADHM CSc1ccc(O[C@@H](C)C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821984689 607084354 /nfs/dbraw/zinc/08/43/54/607084354.db2.gz RPHCGWDAZDNIFC-NSHDSACASA-N -1 3 388.424 3.238 20 0 GGADHM Cc1cc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1Cl ZINC000822183980 607089101 /nfs/dbraw/zinc/08/91/01/607089101.db2.gz MXAFUMVJAMAGSI-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1Cl ZINC000822183980 607089103 /nfs/dbraw/zinc/08/91/03/607089103.db2.gz MXAFUMVJAMAGSI-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM CC(C)Oc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820178698 607089276 /nfs/dbraw/zinc/08/92/76/607089276.db2.gz YGPWUVNTELVPKK-UHFFFAOYSA-N -1 3 382.420 3.417 20 0 GGADHM CC(C)Oc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820178698 607089278 /nfs/dbraw/zinc/08/92/78/607089278.db2.gz YGPWUVNTELVPKK-UHFFFAOYSA-N -1 3 382.420 3.417 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820392583 607089700 /nfs/dbraw/zinc/08/97/00/607089700.db2.gz WLTQSPFWBJGZSQ-GFCCVEGCSA-N -1 3 381.411 3.286 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820392583 607089702 /nfs/dbraw/zinc/08/97/02/607089702.db2.gz WLTQSPFWBJGZSQ-GFCCVEGCSA-N -1 3 381.411 3.286 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820392584 607090082 /nfs/dbraw/zinc/09/00/82/607090082.db2.gz WLTQSPFWBJGZSQ-LBPRGKRZSA-N -1 3 381.411 3.286 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820392584 607090084 /nfs/dbraw/zinc/09/00/84/607090084.db2.gz WLTQSPFWBJGZSQ-LBPRGKRZSA-N -1 3 381.411 3.286 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000823078461 607094285 /nfs/dbraw/zinc/09/42/85/607094285.db2.gz NREOUHUIZXRNNC-HXUWFJFHSA-N -1 3 385.427 3.331 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000823078461 607094286 /nfs/dbraw/zinc/09/42/86/607094286.db2.gz NREOUHUIZXRNNC-HXUWFJFHSA-N -1 3 385.427 3.331 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CC(C)(C)O2)c1cccc(-c2nnn[n-]2)c1 ZINC000820380499 607094762 /nfs/dbraw/zinc/09/47/62/607094762.db2.gz UXYFCTOTJTVJOC-LBPRGKRZSA-N -1 3 378.436 3.463 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CC(C)(C)O2)c1cccc(-c2nn[n-]n2)c1 ZINC000820380499 607094764 /nfs/dbraw/zinc/09/47/64/607094764.db2.gz UXYFCTOTJTVJOC-LBPRGKRZSA-N -1 3 378.436 3.463 20 0 GGADHM O=C(N[C@H]1CCCc2c[nH]nc21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823151019 607097440 /nfs/dbraw/zinc/09/74/40/607097440.db2.gz VUYCFVBCPWFVAD-SFHVURJKSA-N -1 3 385.431 3.064 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823347284 607099464 /nfs/dbraw/zinc/09/94/64/607099464.db2.gz VLBDSFZXXSGJRT-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823347284 607099465 /nfs/dbraw/zinc/09/94/65/607099465.db2.gz VLBDSFZXXSGJRT-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823347554 607099486 /nfs/dbraw/zinc/09/94/86/607099486.db2.gz ZMALYJNRUHJMEQ-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823347554 607099487 /nfs/dbraw/zinc/09/94/87/607099487.db2.gz ZMALYJNRUHJMEQ-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(F)(F)F)nc1C ZINC000821304558 607102206 /nfs/dbraw/zinc/10/22/06/607102206.db2.gz KWVMBIZPLJCPKF-UHFFFAOYSA-N -1 3 391.357 3.273 20 0 GGADHM C[C@H](c1ccccc1)n1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000820570056 607110679 /nfs/dbraw/zinc/11/06/79/607110679.db2.gz CLEWFWFEUZYLQV-CYBMUJFWSA-N -1 3 390.476 3.481 20 0 GGADHM C[C@H](c1ccccc1)n1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000820570056 607110680 /nfs/dbraw/zinc/11/06/80/607110680.db2.gz CLEWFWFEUZYLQV-CYBMUJFWSA-N -1 3 390.476 3.481 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(-c2ccco2)on1 ZINC000820005173 607117852 /nfs/dbraw/zinc/11/78/52/607117852.db2.gz LRTCKHZFSYXITH-UHFFFAOYSA-N -1 3 395.375 3.016 20 0 GGADHM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1Cl)c1cc(F)ccc1Cl ZINC000823582946 607123358 /nfs/dbraw/zinc/12/33/58/607123358.db2.gz DPBWZJYKEVGTMS-UHFFFAOYSA-N -1 3 388.211 3.113 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cc(Cl)ccc1F ZINC000823014680 607125478 /nfs/dbraw/zinc/12/54/78/607125478.db2.gz SQPIDEJQTLKSMZ-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM C[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000820329262 607133969 /nfs/dbraw/zinc/13/39/69/607133969.db2.gz UJTVXOMRGDSORN-CYBMUJFWSA-N -1 3 391.406 3.415 20 0 GGADHM C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000820329262 607133971 /nfs/dbraw/zinc/13/39/71/607133971.db2.gz UJTVXOMRGDSORN-CYBMUJFWSA-N -1 3 391.406 3.415 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820231037 607134422 /nfs/dbraw/zinc/13/44/22/607134422.db2.gz AAQXHGFCUUTQNU-LSDHHAIUSA-N -1 3 377.448 3.079 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820231037 607134424 /nfs/dbraw/zinc/13/44/24/607134424.db2.gz AAQXHGFCUUTQNU-LSDHHAIUSA-N -1 3 377.448 3.079 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000822217463 607136391 /nfs/dbraw/zinc/13/63/91/607136391.db2.gz FKRQBMWTIKKSBD-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000822217463 607136392 /nfs/dbraw/zinc/13/63/92/607136392.db2.gz FKRQBMWTIKKSBD-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](c2ccsc2)O1 ZINC000820742711 607137607 /nfs/dbraw/zinc/13/76/07/607137607.db2.gz MHPZOQQNQLNRDL-MEBBXXQBSA-N -1 3 388.428 3.061 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](c2ccsc2)O1 ZINC000820742711 607137608 /nfs/dbraw/zinc/13/76/08/607137608.db2.gz MHPZOQQNQLNRDL-MEBBXXQBSA-N -1 3 388.428 3.061 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822239798 607138491 /nfs/dbraw/zinc/13/84/91/607138491.db2.gz DXUKNGDQPKNAOA-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822239798 607138493 /nfs/dbraw/zinc/13/84/93/607138493.db2.gz DXUKNGDQPKNAOA-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(OC)nc1C ZINC000821105168 607138703 /nfs/dbraw/zinc/13/87/03/607138703.db2.gz XEQJTCBDELSRJU-UHFFFAOYSA-N -1 3 381.440 3.023 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OC)nc1C ZINC000821105168 607138704 /nfs/dbraw/zinc/13/87/04/607138704.db2.gz XEQJTCBDELSRJU-UHFFFAOYSA-N -1 3 381.440 3.023 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)N[C@@H](c1ccccc1)C1CCCC1 ZINC000823040850 607139115 /nfs/dbraw/zinc/13/91/15/607139115.db2.gz QFYVYPBSYPLQOR-FQEVSTJZSA-N -1 3 395.438 3.432 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)N[C@@H](c1ccccc1)C1CCCC1 ZINC000823040850 607139117 /nfs/dbraw/zinc/13/91/17/607139117.db2.gz QFYVYPBSYPLQOR-FQEVSTJZSA-N -1 3 395.438 3.432 20 0 GGADHM CC(C)Oc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccn1 ZINC000820151824 607141857 /nfs/dbraw/zinc/14/18/57/607141857.db2.gz OCWLVAQKXVXBDI-UHFFFAOYSA-N -1 3 384.465 3.242 20 0 GGADHM CC(C)Oc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccn1 ZINC000820151824 607141859 /nfs/dbraw/zinc/14/18/59/607141859.db2.gz OCWLVAQKXVXBDI-UHFFFAOYSA-N -1 3 384.465 3.242 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000821613453 607153689 /nfs/dbraw/zinc/15/36/89/607153689.db2.gz NYCRERBUCZCVSP-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000821613453 607153690 /nfs/dbraw/zinc/15/36/90/607153690.db2.gz NYCRERBUCZCVSP-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM CCN(C(=O)[C@H](C)COc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149457 607153719 /nfs/dbraw/zinc/15/37/19/607153719.db2.gz YWJPGANZJUZSQE-CVEARBPZSA-N -1 3 379.464 3.491 20 0 GGADHM CCN(C(=O)[C@H](C)COc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149457 607153720 /nfs/dbraw/zinc/15/37/20/607153720.db2.gz YWJPGANZJUZSQE-CVEARBPZSA-N -1 3 379.464 3.491 20 0 GGADHM CCN(C(=O)[C@@H](C)COc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149464 607153764 /nfs/dbraw/zinc/15/37/64/607153764.db2.gz YWJPGANZJUZSQE-JKSUJKDBSA-N -1 3 379.464 3.491 20 0 GGADHM CCN(C(=O)[C@@H](C)COc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149464 607153766 /nfs/dbraw/zinc/15/37/66/607153766.db2.gz YWJPGANZJUZSQE-JKSUJKDBSA-N -1 3 379.464 3.491 20 0 GGADHM CCO[C@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)C ZINC000821350775 607155052 /nfs/dbraw/zinc/15/50/52/607155052.db2.gz CVFHOQYINUYEKJ-QGZVFWFLSA-N -1 3 396.451 3.444 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819817413 607157305 /nfs/dbraw/zinc/15/73/05/607157305.db2.gz FJCUHRLLURTVCH-SNVBAGLBSA-N -1 3 385.811 3.397 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819817413 607157307 /nfs/dbraw/zinc/15/73/07/607157307.db2.gz FJCUHRLLURTVCH-SNVBAGLBSA-N -1 3 385.811 3.397 20 0 GGADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1-n1cccn1 ZINC000820508801 607158207 /nfs/dbraw/zinc/15/82/07/607158207.db2.gz XURIWQNZSSULTH-LBPRGKRZSA-N -1 3 378.367 3.110 20 0 GGADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1-n1cccn1 ZINC000820508801 607158208 /nfs/dbraw/zinc/15/82/08/607158208.db2.gz XURIWQNZSSULTH-LBPRGKRZSA-N -1 3 378.367 3.110 20 0 GGADHM CCOC(=O)[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821315317 607158219 /nfs/dbraw/zinc/15/82/19/607158219.db2.gz RZSMTXVGHZQROH-GFCCVEGCSA-N -1 3 398.444 3.126 20 0 GGADHM CCOC(=O)[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821315317 607158220 /nfs/dbraw/zinc/15/82/20/607158220.db2.gz RZSMTXVGHZQROH-GFCCVEGCSA-N -1 3 398.444 3.126 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000821700394 607162545 /nfs/dbraw/zinc/16/25/45/607162545.db2.gz NDVCLGVUSBRSGK-QGZVFWFLSA-N -1 3 399.495 3.216 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000821700394 607162547 /nfs/dbraw/zinc/16/25/47/607162547.db2.gz NDVCLGVUSBRSGK-QGZVFWFLSA-N -1 3 399.495 3.216 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823009544 607165789 /nfs/dbraw/zinc/16/57/89/607165789.db2.gz MOJVHXWGKCIXSK-HXUWFJFHSA-N -1 3 390.491 3.293 20 0 GGADHM O=C(N[C@@H]1CC2CCC1CC2)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823146061 607167931 /nfs/dbraw/zinc/16/79/31/607167931.db2.gz UGVAJAYFTYQCST-WTNGLUPJSA-N -1 3 390.447 3.363 20 0 GGADHM O=C(N[C@@H]1CC2CCC1CC2)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823146061 607167933 /nfs/dbraw/zinc/16/79/33/607167933.db2.gz UGVAJAYFTYQCST-WTNGLUPJSA-N -1 3 390.447 3.363 20 0 GGADHM Cc1nc2ccc(NCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)cc2s1 ZINC000822462330 607168091 /nfs/dbraw/zinc/16/80/91/607168091.db2.gz GVKDRLKDXNYGRD-UHFFFAOYSA-N -1 3 390.432 3.447 20 0 GGADHM Cc1nc2ccc(NCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)cc2s1 ZINC000822462330 607168092 /nfs/dbraw/zinc/16/80/92/607168092.db2.gz GVKDRLKDXNYGRD-UHFFFAOYSA-N -1 3 390.432 3.447 20 0 GGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc(-c2cccnc2)c1 ZINC000823547893 607171581 /nfs/dbraw/zinc/17/15/81/607171581.db2.gz QFBLSEKXUANFBH-XDHOZWIPSA-N -1 3 394.394 3.273 20 0 GGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc(-c2cccnc2)c1 ZINC000823547893 607171582 /nfs/dbraw/zinc/17/15/82/607171582.db2.gz QFBLSEKXUANFBH-XDHOZWIPSA-N -1 3 394.394 3.273 20 0 GGADHM COc1ccc(-c2noc([C@H](C)Oc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000821765630 607172781 /nfs/dbraw/zinc/17/27/81/607172781.db2.gz IGBLSDBHIAKEHJ-JTQLQIEISA-N -1 3 382.355 3.204 20 0 GGADHM COc1ccc(-c2noc([C@H](C)Oc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000821765630 607172782 /nfs/dbraw/zinc/17/27/82/607172782.db2.gz IGBLSDBHIAKEHJ-JTQLQIEISA-N -1 3 382.355 3.204 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000820456276 607172807 /nfs/dbraw/zinc/17/28/07/607172807.db2.gz RCVAGMKNLPDUBF-MNOVXSKESA-N -1 3 382.390 3.087 20 0 GGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000820456276 607172808 /nfs/dbraw/zinc/17/28/08/607172808.db2.gz RCVAGMKNLPDUBF-MNOVXSKESA-N -1 3 382.390 3.087 20 0 GGADHM COc1ccc(-c2noc([C@H](C)N(C)Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821766213 607176102 /nfs/dbraw/zinc/17/61/02/607176102.db2.gz SKKNAZSBHWEUAP-ZDUSSCGKSA-N -1 3 391.435 3.118 20 0 GGADHM FC(F)(F)c1cc(N[C@H]2CCO[C@]3(CCSC3)C2)ccc1-c1nnn[n-]1 ZINC000822723676 607176642 /nfs/dbraw/zinc/17/66/42/607176642.db2.gz KIRGSSUJCVHVSF-XHDPSFHLSA-N -1 3 385.415 3.352 20 0 GGADHM FC(F)(F)c1cc(N[C@H]2CCO[C@]3(CCSC3)C2)ccc1-c1nn[n-]n1 ZINC000822723676 607176643 /nfs/dbraw/zinc/17/66/43/607176643.db2.gz KIRGSSUJCVHVSF-XHDPSFHLSA-N -1 3 385.415 3.352 20 0 GGADHM OC[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)Cc1ccccc1C(F)(F)F ZINC000823706830 607176992 /nfs/dbraw/zinc/17/69/92/607176992.db2.gz PQNDJKSCDMSIBT-LLVKDONJSA-N -1 3 395.360 3.288 20 0 GGADHM Cc1cccc(-c2cncc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)c2)c1 ZINC000822284539 607177754 /nfs/dbraw/zinc/17/77/54/607177754.db2.gz UGLQKKXXMSJCLS-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM Cc1cccc(-c2cncc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)c2)c1 ZINC000822284539 607177755 /nfs/dbraw/zinc/17/77/55/607177755.db2.gz UGLQKKXXMSJCLS-UHFFFAOYSA-N -1 3 388.406 3.306 20 0 GGADHM CCCCC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821049557 607184525 /nfs/dbraw/zinc/18/45/25/607184525.db2.gz LLOSLMNYUBXBSK-CYBMUJFWSA-N -1 3 390.875 3.030 20 0 GGADHM CCCCC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821049557 607184526 /nfs/dbraw/zinc/18/45/26/607184526.db2.gz LLOSLMNYUBXBSK-CYBMUJFWSA-N -1 3 390.875 3.030 20 0 GGADHM COc1cccc(CO[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821868366 607189320 /nfs/dbraw/zinc/18/93/20/607189320.db2.gz PSBSSWXJEMTECL-LLVKDONJSA-N -1 3 387.827 3.073 20 0 GGADHM COc1cccc(CO[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821868366 607189321 /nfs/dbraw/zinc/18/93/21/607189321.db2.gz PSBSSWXJEMTECL-LLVKDONJSA-N -1 3 387.827 3.073 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccc2ccccc2c1 ZINC000823266039 607189545 /nfs/dbraw/zinc/18/95/45/607189545.db2.gz KRNILFXTPYWXFO-UHFFFAOYSA-N -1 3 395.426 3.340 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc2ccccc2c1 ZINC000823266039 607189546 /nfs/dbraw/zinc/18/95/46/607189546.db2.gz KRNILFXTPYWXFO-UHFFFAOYSA-N -1 3 395.426 3.340 20 0 GGADHM COc1ccc(OCC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821841312 607192667 /nfs/dbraw/zinc/19/26/67/607192667.db2.gz HDBUAIMRADJMCZ-UHFFFAOYSA-N -1 3 395.463 3.252 20 0 GGADHM COc1ccc(OCC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821841312 607192668 /nfs/dbraw/zinc/19/26/68/607192668.db2.gz HDBUAIMRADJMCZ-UHFFFAOYSA-N -1 3 395.463 3.252 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000820151444 607193710 /nfs/dbraw/zinc/19/37/10/607193710.db2.gz HSUFSGIBCWDSKB-LBPRGKRZSA-N -1 3 380.399 3.353 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000820151444 607193711 /nfs/dbraw/zinc/19/37/11/607193711.db2.gz HSUFSGIBCWDSKB-LBPRGKRZSA-N -1 3 380.399 3.353 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000820372866 607196919 /nfs/dbraw/zinc/19/69/19/607196919.db2.gz CONYEDVUEFXIEH-SECBINFHSA-N -1 3 386.799 3.132 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)OCO2 ZINC000820372866 607196920 /nfs/dbraw/zinc/19/69/20/607196920.db2.gz CONYEDVUEFXIEH-SECBINFHSA-N -1 3 386.799 3.132 20 0 GGADHM CCC1(CC)[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@H]1OC ZINC000820955634 607197369 /nfs/dbraw/zinc/19/73/69/607197369.db2.gz DDEZZYZQGYBORG-ZIAGYGMSSA-N -1 3 378.864 3.235 20 0 GGADHM CCC1(CC)[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H]1OC ZINC000820955634 607197370 /nfs/dbraw/zinc/19/73/70/607197370.db2.gz DDEZZYZQGYBORG-ZIAGYGMSSA-N -1 3 378.864 3.235 20 0 GGADHM O=C(NCCCOc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823196242 607197628 /nfs/dbraw/zinc/19/76/28/607197628.db2.gz AIEGAECOMWPLKG-UHFFFAOYSA-N -1 3 390.806 3.250 20 0 GGADHM O=C(NCCCOc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823196242 607197629 /nfs/dbraw/zinc/19/76/29/607197629.db2.gz AIEGAECOMWPLKG-UHFFFAOYSA-N -1 3 390.806 3.250 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823315279 607200291 /nfs/dbraw/zinc/20/02/91/607200291.db2.gz WZLKQACFHIMQLT-AWEZNQCLSA-N -1 3 390.875 3.476 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823315279 607200292 /nfs/dbraw/zinc/20/02/92/607200292.db2.gz WZLKQACFHIMQLT-AWEZNQCLSA-N -1 3 390.875 3.476 20 0 GGADHM CCOCc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821383345 607201034 /nfs/dbraw/zinc/20/10/34/607201034.db2.gz DTRXPBPRVVHAIY-UHFFFAOYSA-N -1 3 386.843 3.378 20 0 GGADHM CCOCc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821383345 607201035 /nfs/dbraw/zinc/20/10/35/607201035.db2.gz DTRXPBPRVVHAIY-UHFFFAOYSA-N -1 3 386.843 3.378 20 0 GGADHM O=C(NCCc1cc(F)cc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823219909 607201221 /nfs/dbraw/zinc/20/12/21/607201221.db2.gz RVKOXJCJIAWCFG-UHFFFAOYSA-N -1 3 378.770 3.163 20 0 GGADHM O=C(NCCc1cc(F)cc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823219909 607201222 /nfs/dbraw/zinc/20/12/22/607201222.db2.gz RVKOXJCJIAWCFG-UHFFFAOYSA-N -1 3 378.770 3.163 20 0 GGADHM Cc1cccc(OC[C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822327308 607202761 /nfs/dbraw/zinc/20/27/61/607202761.db2.gz FYRBMANOPCNLSV-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1cccc(OC[C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822327308 607202762 /nfs/dbraw/zinc/20/27/62/607202762.db2.gz FYRBMANOPCNLSV-LBPRGKRZSA-N -1 3 386.843 3.418 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821693481 607202819 /nfs/dbraw/zinc/20/28/19/607202819.db2.gz AFMFEIWDXNFZCL-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821693481 607202820 /nfs/dbraw/zinc/20/28/20/607202820.db2.gz AFMFEIWDXNFZCL-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000819826020 607203110 /nfs/dbraw/zinc/20/31/10/607203110.db2.gz CUSKNCDTSNVTER-JTQLQIEISA-N -1 3 399.842 3.361 20 0 GGADHM CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000819826020 607203111 /nfs/dbraw/zinc/20/31/11/607203111.db2.gz CUSKNCDTSNVTER-JTQLQIEISA-N -1 3 399.842 3.361 20 0 GGADHM CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821611119 607203339 /nfs/dbraw/zinc/20/33/39/607203339.db2.gz REYVFTRQAPORPK-UHFFFAOYSA-N -1 3 378.770 3.462 20 0 GGADHM CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821611119 607203340 /nfs/dbraw/zinc/20/33/40/607203340.db2.gz REYVFTRQAPORPK-UHFFFAOYSA-N -1 3 378.770 3.462 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCOC[C@H]1c1ccccc1 ZINC000823314904 607203993 /nfs/dbraw/zinc/20/39/93/607203993.db2.gz UJOOFOBGJWDERH-INIZCTEOSA-N -1 3 384.827 3.126 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCOC[C@H]1c1ccccc1 ZINC000823314904 607203994 /nfs/dbraw/zinc/20/39/94/607203994.db2.gz UJOOFOBGJWDERH-INIZCTEOSA-N -1 3 384.827 3.126 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1(C)C ZINC000821357516 607204139 /nfs/dbraw/zinc/20/41/39/607204139.db2.gz DILASHXVSIVCIF-UONOGXRCSA-N -1 3 378.864 3.187 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1(C)C ZINC000821357516 607204140 /nfs/dbraw/zinc/20/41/40/607204140.db2.gz DILASHXVSIVCIF-UONOGXRCSA-N -1 3 378.864 3.187 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(NC2CC2)n1 ZINC000820087677 607206953 /nfs/dbraw/zinc/20/69/53/607206953.db2.gz WKZWIGNVPJKJAH-UHFFFAOYSA-N -1 3 397.508 3.196 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(NC2CC2)n1 ZINC000820087677 607206954 /nfs/dbraw/zinc/20/69/54/607206954.db2.gz WKZWIGNVPJKJAH-UHFFFAOYSA-N -1 3 397.508 3.196 20 0 GGADHM COc1ccc(CN[C@@H](c2ccco2)c2ccccc2OC)cc1-c1nnn[n-]1 ZINC000821805888 607229817 /nfs/dbraw/zinc/22/98/17/607229817.db2.gz XGLXFTMRBAGRQT-HXUWFJFHSA-N -1 3 391.431 3.356 20 0 GGADHM COc1ccc(CN[C@@H](c2ccco2)c2ccccc2OC)cc1-c1nn[n-]n1 ZINC000821805888 607229818 /nfs/dbraw/zinc/22/98/18/607229818.db2.gz XGLXFTMRBAGRQT-HXUWFJFHSA-N -1 3 391.431 3.356 20 0 GGADHM Nc1c(Cl)cc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000822903950 607231723 /nfs/dbraw/zinc/23/17/23/607231723.db2.gz QRHOTNCVUJIZRN-UHFFFAOYSA-N -1 3 384.614 3.056 20 0 GGADHM Nc1c(Cl)cc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000822903950 607231724 /nfs/dbraw/zinc/23/17/24/607231724.db2.gz QRHOTNCVUJIZRN-UHFFFAOYSA-N -1 3 384.614 3.056 20 0 GGADHM CC[C@@H]1CCc2nc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)sc2C1 ZINC000820987935 607233526 /nfs/dbraw/zinc/23/35/26/607233526.db2.gz CJQMZOKDHHWCCW-MRVPVSSYSA-N -1 3 389.872 3.139 20 0 GGADHM CC[C@@H]1CCc2nc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)sc2C1 ZINC000820987935 607233527 /nfs/dbraw/zinc/23/35/27/607233527.db2.gz CJQMZOKDHHWCCW-MRVPVSSYSA-N -1 3 389.872 3.139 20 0 GGADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820225559 607233539 /nfs/dbraw/zinc/23/35/39/607233539.db2.gz LFHNQXBGPDLNMU-LBPRGKRZSA-N -1 3 384.871 3.401 20 0 GGADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820225559 607233540 /nfs/dbraw/zinc/23/35/40/607233540.db2.gz LFHNQXBGPDLNMU-LBPRGKRZSA-N -1 3 384.871 3.401 20 0 GGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823074754 607235091 /nfs/dbraw/zinc/23/50/91/607235091.db2.gz UUDNCDFQSFJZMF-UHFFFAOYSA-N -1 3 393.394 3.406 20 0 GGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823074754 607235092 /nfs/dbraw/zinc/23/50/92/607235092.db2.gz UUDNCDFQSFJZMF-UHFFFAOYSA-N -1 3 393.394 3.406 20 0 GGADHM CC(C)Oc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000820736289 607235539 /nfs/dbraw/zinc/23/55/39/607235539.db2.gz YNUAUBXKRBELPS-NSHDSACASA-N -1 3 398.492 3.488 20 0 GGADHM CC(C)Oc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000820736289 607235540 /nfs/dbraw/zinc/23/55/40/607235540.db2.gz YNUAUBXKRBELPS-NSHDSACASA-N -1 3 398.492 3.488 20 0 GGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000821574809 607238400 /nfs/dbraw/zinc/23/84/00/607238400.db2.gz YGTXWTSOVZAZTP-UHFFFAOYSA-N -1 3 383.280 3.440 20 0 GGADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000821574809 607238401 /nfs/dbraw/zinc/23/84/01/607238401.db2.gz YGTXWTSOVZAZTP-UHFFFAOYSA-N -1 3 383.280 3.440 20 0 GGADHM C[C@@H]1c2ccccc2CCN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820828046 607238790 /nfs/dbraw/zinc/23/87/90/607238790.db2.gz ZQOJRJLZIYWDAK-CQSZACIVSA-N -1 3 377.448 3.170 20 0 GGADHM C[C@@H]1c2ccccc2CCN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820828046 607238791 /nfs/dbraw/zinc/23/87/91/607238791.db2.gz ZQOJRJLZIYWDAK-CQSZACIVSA-N -1 3 377.448 3.170 20 0 GGADHM CCC[C@H](C)CC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000821014905 607239756 /nfs/dbraw/zinc/23/97/56/607239756.db2.gz LUHLNMDUEAXSKN-VIFPVBQESA-N -1 3 383.246 3.370 20 0 GGADHM CCC[C@H](C)CC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000821014905 607239757 /nfs/dbraw/zinc/23/97/57/607239757.db2.gz LUHLNMDUEAXSKN-VIFPVBQESA-N -1 3 383.246 3.370 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ncccc1OCC(F)(F)F ZINC000823319095 607241053 /nfs/dbraw/zinc/24/10/53/607241053.db2.gz QRVSSLMVHBZBJM-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ncccc1OCC(F)(F)F ZINC000823319095 607241054 /nfs/dbraw/zinc/24/10/54/607241054.db2.gz QRVSSLMVHBZBJM-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM COCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821688270 607241481 /nfs/dbraw/zinc/24/14/81/607241481.db2.gz DYQDSFBWXBCYED-UHFFFAOYSA-N -1 3 387.827 3.188 20 0 GGADHM COCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821688270 607241482 /nfs/dbraw/zinc/24/14/82/607241482.db2.gz DYQDSFBWXBCYED-UHFFFAOYSA-N -1 3 387.827 3.188 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1COc2ccc(Cl)cc2C1 ZINC000823314860 607241809 /nfs/dbraw/zinc/24/18/09/607241809.db2.gz SUJFRBSPVFGBSB-LLVKDONJSA-N -1 3 390.230 3.363 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1COc2ccc(Cl)cc2C1 ZINC000823314860 607241810 /nfs/dbraw/zinc/24/18/10/607241810.db2.gz SUJFRBSPVFGBSB-LLVKDONJSA-N -1 3 390.230 3.363 20 0 GGADHM Cc1ccccc1-n1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000822345607 607242477 /nfs/dbraw/zinc/24/24/77/607242477.db2.gz LYXJKTIYYFUGBP-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1ccccc1-n1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000822345607 607242478 /nfs/dbraw/zinc/24/24/78/607242478.db2.gz LYXJKTIYYFUGBP-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c2cnn(C(C)C)c2n1 ZINC000822176594 607242902 /nfs/dbraw/zinc/24/29/02/607242902.db2.gz MBXPBKOQAPTQKF-UHFFFAOYSA-N -1 3 396.842 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c2cnn(C(C)C)c2n1 ZINC000822176594 607242903 /nfs/dbraw/zinc/24/29/03/607242903.db2.gz MBXPBKOQAPTQKF-UHFFFAOYSA-N -1 3 396.842 3.406 20 0 GGADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823118515 607244212 /nfs/dbraw/zinc/24/42/12/607244212.db2.gz CFZWPCRXKDTXIR-UHFFFAOYSA-N -1 3 398.785 3.495 20 0 GGADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823118515 607244213 /nfs/dbraw/zinc/24/42/13/607244213.db2.gz CFZWPCRXKDTXIR-UHFFFAOYSA-N -1 3 398.785 3.495 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820881918 607248592 /nfs/dbraw/zinc/24/85/92/607248592.db2.gz FMYOSISVJHFMQR-NSHDSACASA-N -1 3 395.398 3.249 20 0 GGADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820881918 607248593 /nfs/dbraw/zinc/24/85/93/607248593.db2.gz FMYOSISVJHFMQR-NSHDSACASA-N -1 3 395.398 3.249 20 0 GGADHM O=C(CCc1ccccc1Br)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822982189 607249818 /nfs/dbraw/zinc/24/98/18/607249818.db2.gz BKKDZLCXBHIFIK-UHFFFAOYSA-N -1 3 391.200 3.307 20 0 GGADHM O=C(CCc1ccccc1Br)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822982189 607249819 /nfs/dbraw/zinc/24/98/19/607249819.db2.gz BKKDZLCXBHIFIK-UHFFFAOYSA-N -1 3 391.200 3.307 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccnc(Oc2ccccc2)c1 ZINC000823450263 607250933 /nfs/dbraw/zinc/25/09/33/607250933.db2.gz MISLRAKWBPAOFR-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccnc(Oc2ccccc2)c1 ZINC000823450263 607250934 /nfs/dbraw/zinc/25/09/34/607250934.db2.gz MISLRAKWBPAOFR-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM Cc1ncc(NC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)s1 ZINC000826330523 607774128 /nfs/dbraw/zinc/77/41/28/607774128.db2.gz YBMTZBFJMOPDLY-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1ncc(NC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)s1 ZINC000826330523 607774129 /nfs/dbraw/zinc/77/41/29/607774129.db2.gz YBMTZBFJMOPDLY-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000824729995 607774756 /nfs/dbraw/zinc/77/47/56/607774756.db2.gz MEACINGNIGKAOM-NJSLBKSFSA-N -1 3 377.448 3.389 20 0 GGADHM CC(C)(C)Oc1ccncc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824124637 607775652 /nfs/dbraw/zinc/77/56/52/607775652.db2.gz XLUBHUZKJQZTSH-UHFFFAOYSA-N -1 3 384.465 3.170 20 0 GGADHM CC(C)(C)Oc1ccncc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824124637 607775653 /nfs/dbraw/zinc/77/56/53/607775653.db2.gz XLUBHUZKJQZTSH-UHFFFAOYSA-N -1 3 384.465 3.170 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826268899 607776261 /nfs/dbraw/zinc/77/62/61/607776261.db2.gz SDEOVHDGODCAOD-UHFFFAOYSA-N -1 3 382.493 3.280 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826268899 607776262 /nfs/dbraw/zinc/77/62/62/607776262.db2.gz SDEOVHDGODCAOD-UHFFFAOYSA-N -1 3 382.493 3.280 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1cccc2ccsc21 ZINC000826175294 607776622 /nfs/dbraw/zinc/77/66/22/607776622.db2.gz ZSQLRCQGWYDQCW-UHFFFAOYSA-N -1 3 381.417 3.108 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cccc2ccsc21 ZINC000826175294 607776623 /nfs/dbraw/zinc/77/66/23/607776623.db2.gz ZSQLRCQGWYDQCW-UHFFFAOYSA-N -1 3 381.417 3.108 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000826174530 607780489 /nfs/dbraw/zinc/78/04/89/607780489.db2.gz AJXIQFAWDAPAPI-SUMWQHHRSA-N -1 3 393.447 3.009 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000826174530 607780490 /nfs/dbraw/zinc/78/04/90/607780490.db2.gz AJXIQFAWDAPAPI-SUMWQHHRSA-N -1 3 393.447 3.009 20 0 GGADHM COC(=O)[C@H](N[C@H]1CC[C@H](C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826112148 607785016 /nfs/dbraw/zinc/78/50/16/607785016.db2.gz TVXLCJOULUXNBA-FASAQXTFSA-N -1 3 377.448 3.309 20 0 GGADHM COC(=O)[C@H](N[C@H]1CC[C@H](C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826112148 607785017 /nfs/dbraw/zinc/78/50/17/607785017.db2.gz TVXLCJOULUXNBA-FASAQXTFSA-N -1 3 377.448 3.309 20 0 GGADHM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825829580 607786623 /nfs/dbraw/zinc/78/66/23/607786623.db2.gz GYAZNURTUAZQPU-UHFFFAOYSA-N -1 3 394.435 3.490 20 0 GGADHM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825829580 607786624 /nfs/dbraw/zinc/78/66/24/607786624.db2.gz GYAZNURTUAZQPU-UHFFFAOYSA-N -1 3 394.435 3.490 20 0 GGADHM CN(C(=O)CCc1ccc(Br)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825817834 607788260 /nfs/dbraw/zinc/78/82/60/607788260.db2.gz QCBSYQSLDOXFPZ-UHFFFAOYSA-N -1 3 386.253 3.225 20 0 GGADHM CN(C(=O)CCc1ccc(Br)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825817834 607788259 /nfs/dbraw/zinc/78/82/59/607788259.db2.gz QCBSYQSLDOXFPZ-UHFFFAOYSA-N -1 3 386.253 3.225 20 0 GGADHM Cc1c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1Cl ZINC000826234343 607788316 /nfs/dbraw/zinc/78/83/16/607788316.db2.gz RQAYOUYFCOGFAV-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM Cc1c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000826234343 607788317 /nfs/dbraw/zinc/78/83/17/607788317.db2.gz RQAYOUYFCOGFAV-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM COc1ccc(-c2ncc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)s2)cc1 ZINC000826181477 607791104 /nfs/dbraw/zinc/79/11/04/607791104.db2.gz AGBAOOVIADZBOL-UHFFFAOYSA-N -1 3 392.444 3.275 20 0 GGADHM COc1ccc(-c2ncc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)s2)cc1 ZINC000826181477 607791105 /nfs/dbraw/zinc/79/11/05/607791105.db2.gz AGBAOOVIADZBOL-UHFFFAOYSA-N -1 3 392.444 3.275 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825654212 607793690 /nfs/dbraw/zinc/79/36/90/607793690.db2.gz RQSROMZZUDOFCE-UHFFFAOYSA-N -1 3 387.390 3.016 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825654212 607793691 /nfs/dbraw/zinc/79/36/91/607793691.db2.gz RQSROMZZUDOFCE-UHFFFAOYSA-N -1 3 387.390 3.016 20 0 GGADHM CCN(C(=O)Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376668 607797573 /nfs/dbraw/zinc/79/75/73/607797573.db2.gz KSHYUDJMWPBEGH-UHFFFAOYSA-N -1 3 386.253 3.225 20 0 GGADHM CCN(C(=O)Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376668 607797574 /nfs/dbraw/zinc/79/75/74/607797574.db2.gz KSHYUDJMWPBEGH-UHFFFAOYSA-N -1 3 386.253 3.225 20 0 GGADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366871 607797947 /nfs/dbraw/zinc/79/79/47/607797947.db2.gz HFSJSQNYEIITOW-MOPGFXCFSA-N -1 3 376.464 3.089 20 0 GGADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366871 607797948 /nfs/dbraw/zinc/79/79/48/607797948.db2.gz HFSJSQNYEIITOW-MOPGFXCFSA-N -1 3 376.464 3.089 20 0 GGADHM CCN(C(=O)c1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379572 607798459 /nfs/dbraw/zinc/79/84/59/607798459.db2.gz IRMDOEYXHSJSLM-UHFFFAOYSA-N -1 3 390.216 3.435 20 0 GGADHM CCN(C(=O)c1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379572 607798460 /nfs/dbraw/zinc/79/84/60/607798460.db2.gz IRMDOEYXHSJSLM-UHFFFAOYSA-N -1 3 390.216 3.435 20 0 GGADHM CCN(C(=O)c1cnc(OC(C)C)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386176 607798540 /nfs/dbraw/zinc/79/85/40/607798540.db2.gz ZYDZULZXPFQXIS-UHFFFAOYSA-N -1 3 386.843 3.369 20 0 GGADHM CCN(C(=O)c1cnc(OC(C)C)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386176 607798541 /nfs/dbraw/zinc/79/85/41/607798541.db2.gz ZYDZULZXPFQXIS-UHFFFAOYSA-N -1 3 386.843 3.369 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390635 607799515 /nfs/dbraw/zinc/79/95/15/607799515.db2.gz IKTMYFDHTJUFQC-UHFFFAOYSA-N -1 3 393.838 3.373 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390635 607799516 /nfs/dbraw/zinc/79/95/16/607799516.db2.gz IKTMYFDHTJUFQC-UHFFFAOYSA-N -1 3 393.838 3.373 20 0 GGADHM CN(CCc1nccs1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825950433 607801334 /nfs/dbraw/zinc/80/13/34/607801334.db2.gz OFXPOVQGKFHZRN-UHFFFAOYSA-N -1 3 390.472 3.305 20 0 GGADHM CN(CCc1nccs1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825950433 607801335 /nfs/dbraw/zinc/80/13/35/607801335.db2.gz OFXPOVQGKFHZRN-UHFFFAOYSA-N -1 3 390.472 3.305 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826453975 607804547 /nfs/dbraw/zinc/80/45/47/607804547.db2.gz GBZRVNRNTIAIFG-ACJLOTCBSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826453975 607804548 /nfs/dbraw/zinc/80/45/48/607804548.db2.gz GBZRVNRNTIAIFG-ACJLOTCBSA-N -1 3 396.426 3.295 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1C(C)C ZINC000824011209 607805291 /nfs/dbraw/zinc/80/52/91/607805291.db2.gz ZAZOHRNTPYMROG-UHFFFAOYSA-N -1 3 385.399 3.325 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1C(C)C ZINC000824011209 607805292 /nfs/dbraw/zinc/80/52/92/607805292.db2.gz ZAZOHRNTPYMROG-UHFFFAOYSA-N -1 3 385.399 3.325 20 0 GGADHM CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000824157177 607807652 /nfs/dbraw/zinc/80/76/52/607807652.db2.gz BXNGFZHZKGHWGF-UHFFFAOYSA-N -1 3 398.511 3.308 20 0 GGADHM CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000824157177 607807653 /nfs/dbraw/zinc/80/76/53/607807653.db2.gz BXNGFZHZKGHWGF-UHFFFAOYSA-N -1 3 398.511 3.308 20 0 GGADHM c1ccc2c(c1)CC[C@@]21CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000826523807 607811582 /nfs/dbraw/zinc/81/15/82/607811582.db2.gz YKESREFSEOQTOJ-JOCHJYFZSA-N -1 3 384.443 3.093 20 0 GGADHM c1ccc2c(c1)CC[C@@]21CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000826523807 607811583 /nfs/dbraw/zinc/81/15/83/607811583.db2.gz YKESREFSEOQTOJ-JOCHJYFZSA-N -1 3 384.443 3.093 20 0 GGADHM Nc1ccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(Cl)c1 ZINC000826396176 607813413 /nfs/dbraw/zinc/81/34/13/607813413.db2.gz LBSDFOOEPYZGSD-GFCCVEGCSA-N -1 3 392.897 3.061 20 0 GGADHM Nc1ccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(Cl)c1 ZINC000826396176 607813414 /nfs/dbraw/zinc/81/34/14/607813414.db2.gz LBSDFOOEPYZGSD-GFCCVEGCSA-N -1 3 392.897 3.061 20 0 GGADHM COc1ccc2cccc(CC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826213228 607816219 /nfs/dbraw/zinc/81/62/19/607816219.db2.gz PCAQSLQZXOFVCL-AWEZNQCLSA-N -1 3 387.443 3.448 20 0 GGADHM COc1ccc2cccc(CC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826213228 607816220 /nfs/dbraw/zinc/81/62/20/607816220.db2.gz PCAQSLQZXOFVCL-AWEZNQCLSA-N -1 3 387.443 3.448 20 0 GGADHM COc1ccc2cccc(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)c2c1 ZINC000826212867 607818738 /nfs/dbraw/zinc/81/87/38/607818738.db2.gz DFXXEIFBVVFZBW-UHFFFAOYSA-N -1 3 391.406 3.027 20 0 GGADHM COc1ccc2cccc(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000826212867 607818739 /nfs/dbraw/zinc/81/87/39/607818739.db2.gz DFXXEIFBVVFZBW-UHFFFAOYSA-N -1 3 391.406 3.027 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826506090 607821045 /nfs/dbraw/zinc/82/10/45/607821045.db2.gz MHLIUAVRDFHFLV-XJKSGUPXSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826506090 607821046 /nfs/dbraw/zinc/82/10/46/607821046.db2.gz MHLIUAVRDFHFLV-XJKSGUPXSA-N -1 3 393.344 3.337 20 0 GGADHM C[C@H]1COCCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000825006579 607825603 /nfs/dbraw/zinc/82/56/03/607825603.db2.gz LUBPPJXSWJCPBU-CQSZACIVSA-N -1 3 395.488 3.126 20 0 GGADHM C[C@H]1COCCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000825006579 607825604 /nfs/dbraw/zinc/82/56/04/607825604.db2.gz LUBPPJXSWJCPBU-CQSZACIVSA-N -1 3 395.488 3.126 20 0 GGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826291293 607826041 /nfs/dbraw/zinc/82/60/41/607826041.db2.gz YMZGWRXDLUHIDS-UHFFFAOYSA-N -1 3 383.412 3.103 20 0 GGADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826291293 607826042 /nfs/dbraw/zinc/82/60/42/607826042.db2.gz YMZGWRXDLUHIDS-UHFFFAOYSA-N -1 3 383.412 3.103 20 0 GGADHM C[C@@H](OC(=O)CCCSC(C)(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824712513 607826244 /nfs/dbraw/zinc/82/62/44/607826244.db2.gz AJEKNTARJGLLSK-GFCCVEGCSA-N -1 3 391.497 3.049 20 0 GGADHM C[C@@H](OC(=O)CCCSC(C)(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824712513 607826245 /nfs/dbraw/zinc/82/62/45/607826245.db2.gz AJEKNTARJGLLSK-GFCCVEGCSA-N -1 3 391.497 3.049 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000825012360 607830324 /nfs/dbraw/zinc/83/03/24/607830324.db2.gz HTBVIEXRXSUUJY-ZIAGYGMSSA-N -1 3 395.488 3.409 20 0 GGADHM COCc1ccccc1CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826165184 607833533 /nfs/dbraw/zinc/83/35/33/607833533.db2.gz JKJIRJSFDPWIQU-UHFFFAOYSA-N -1 3 392.246 3.250 20 0 GGADHM COCc1ccccc1CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826165184 607833534 /nfs/dbraw/zinc/83/35/34/607833534.db2.gz JKJIRJSFDPWIQU-UHFFFAOYSA-N -1 3 392.246 3.250 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000825971798 607835908 /nfs/dbraw/zinc/83/59/08/607835908.db2.gz OIFDXCOGYQWPSE-UHFFFAOYSA-N -1 3 375.392 3.186 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000825971798 607835909 /nfs/dbraw/zinc/83/59/09/607835909.db2.gz OIFDXCOGYQWPSE-UHFFFAOYSA-N -1 3 375.392 3.186 20 0 GGADHM O=C1[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCCN1c1ccccc1 ZINC000826478337 607842267 /nfs/dbraw/zinc/84/22/67/607842267.db2.gz ZNSUPQBVGFSGAN-SFHVURJKSA-N -1 3 385.431 3.022 20 0 GGADHM O=C1[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCCN1c1ccccc1 ZINC000826478337 607842268 /nfs/dbraw/zinc/84/22/68/607842268.db2.gz ZNSUPQBVGFSGAN-SFHVURJKSA-N -1 3 385.431 3.022 20 0 GGADHM O[C@@H](COc1ccc(F)cc1)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826504743 607843261 /nfs/dbraw/zinc/84/32/61/607843261.db2.gz CGVKRGGHJKRZBC-LBPRGKRZSA-N -1 3 380.832 3.191 20 0 GGADHM O[C@@H](COc1ccc(F)cc1)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826504743 607843262 /nfs/dbraw/zinc/84/32/62/607843262.db2.gz CGVKRGGHJKRZBC-LBPRGKRZSA-N -1 3 380.832 3.191 20 0 GGADHM CCn1c(-c2ccccc2)nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1=S ZINC000825782628 607846792 /nfs/dbraw/zinc/84/67/92/607846792.db2.gz JOWAGVSSCLNQPI-UHFFFAOYSA-N -1 3 392.492 3.375 20 0 GGADHM COc1ccc(-n2ccn(CN(C)c3ccccc3-c3nnn[n-]3)c2=S)cc1 ZINC000826186745 607847662 /nfs/dbraw/zinc/84/76/62/607847662.db2.gz JFGGQIRZWFQQFR-UHFFFAOYSA-N -1 3 393.476 3.291 20 0 GGADHM COc1ccc(-n2ccn(CN(C)c3ccccc3-c3nn[n-]n3)c2=S)cc1 ZINC000826186745 607847663 /nfs/dbraw/zinc/84/76/63/607847663.db2.gz JFGGQIRZWFQQFR-UHFFFAOYSA-N -1 3 393.476 3.291 20 0 GGADHM CN(Cn1nnc2ccccc2c1=S)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826004212 607848893 /nfs/dbraw/zinc/84/88/93/607848893.db2.gz NVFFUROULGUENI-UHFFFAOYSA-N -1 3 384.856 3.088 20 0 GGADHM CN(Cn1nnc2ccccc2c1=S)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826004212 607848894 /nfs/dbraw/zinc/84/88/94/607848894.db2.gz NVFFUROULGUENI-UHFFFAOYSA-N -1 3 384.856 3.088 20 0 GGADHM CN(Cn1ncn(C(C)(C)C)c1=S)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826004324 607849069 /nfs/dbraw/zinc/84/90/69/607849069.db2.gz SIGHSWBVKKFUHS-UHFFFAOYSA-N -1 3 378.893 3.096 20 0 GGADHM CN(Cn1ncn(C(C)(C)C)c1=S)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826004324 607849070 /nfs/dbraw/zinc/84/90/70/607849070.db2.gz SIGHSWBVKKFUHS-UHFFFAOYSA-N -1 3 378.893 3.096 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824450701 607850786 /nfs/dbraw/zinc/85/07/86/607850786.db2.gz YHYZHUXGPLWCSR-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824450701 607850787 /nfs/dbraw/zinc/85/07/87/607850787.db2.gz YHYZHUXGPLWCSR-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM Cc1ncc(S(=O)(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000826330197 607852348 /nfs/dbraw/zinc/85/23/48/607852348.db2.gz JLZHFDWIZSCOOW-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM Cc1ncc(S(=O)(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000826330197 607852349 /nfs/dbraw/zinc/85/23/49/607852349.db2.gz JLZHFDWIZSCOOW-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM Cc1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826281356 607854012 /nfs/dbraw/zinc/85/40/12/607854012.db2.gz NZTQMTIIOOUYFW-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM Cc1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826281356 607854013 /nfs/dbraw/zinc/85/40/13/607854013.db2.gz NZTQMTIIOOUYFW-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1-c1ccccn1 ZINC000826187175 607855717 /nfs/dbraw/zinc/85/57/17/607855717.db2.gz DAIUXXUNSGOXGF-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1-c1ccccn1 ZINC000826187175 607855718 /nfs/dbraw/zinc/85/57/18/607855718.db2.gz DAIUXXUNSGOXGF-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM Cc1c(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000826234663 607857303 /nfs/dbraw/zinc/85/73/03/607857303.db2.gz ICSXRCJNPRZQDB-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM Cc1c(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000826234663 607857304 /nfs/dbraw/zinc/85/73/04/607857304.db2.gz ICSXRCJNPRZQDB-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826296203 607857352 /nfs/dbraw/zinc/85/73/52/607857352.db2.gz MRLCFZLJCZKXIH-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826296203 607857353 /nfs/dbraw/zinc/85/73/53/607857353.db2.gz MRLCFZLJCZKXIH-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1ccccc1C(C)C ZINC000825609994 607871912 /nfs/dbraw/zinc/87/19/12/607871912.db2.gz VVSOQJAATDNPSY-INIZCTEOSA-N -1 3 398.463 3.208 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccccc1C(C)C ZINC000825609994 607871913 /nfs/dbraw/zinc/87/19/13/607871913.db2.gz VVSOQJAATDNPSY-INIZCTEOSA-N -1 3 398.463 3.208 20 0 GGADHM O[C@H](COc1ccc(C2SCCS2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505363 607872296 /nfs/dbraw/zinc/87/22/96/607872296.db2.gz TYSNPNJHZMNWAR-MRXNPFEDSA-N -1 3 386.502 3.458 20 0 GGADHM O[C@H](COc1ccc(C2SCCS2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505363 607872297 /nfs/dbraw/zinc/87/22/97/607872297.db2.gz TYSNPNJHZMNWAR-MRXNPFEDSA-N -1 3 386.502 3.458 20 0 GGADHM CC(C)c1ccccc1OC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824352366 607872453 /nfs/dbraw/zinc/87/24/53/607872453.db2.gz BCMZXLQMICDMOO-CQSZACIVSA-N -1 3 388.855 3.462 20 0 GGADHM CC(C)c1ccccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824352366 607872454 /nfs/dbraw/zinc/87/24/54/607872454.db2.gz BCMZXLQMICDMOO-CQSZACIVSA-N -1 3 388.855 3.462 20 0 GGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(Br)c1 ZINC000826504049 607873050 /nfs/dbraw/zinc/87/30/50/607873050.db2.gz LZWLUVHOVFFKCZ-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(Br)c1 ZINC000826504049 607873051 /nfs/dbraw/zinc/87/30/51/607873051.db2.gz LZWLUVHOVFFKCZ-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM C[C@H](OC[C@H](O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(Cl)cc1 ZINC000824730023 607873260 /nfs/dbraw/zinc/87/32/60/607873260.db2.gz MFQZAZGUXIBTJN-FZMZJTMJSA-N -1 3 392.818 3.177 20 0 GGADHM C[C@H](OC[C@H](O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(Cl)cc1 ZINC000824730023 607873261 /nfs/dbraw/zinc/87/32/61/607873261.db2.gz MFQZAZGUXIBTJN-FZMZJTMJSA-N -1 3 392.818 3.177 20 0 GGADHM C/C=C/c1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000825029799 607875435 /nfs/dbraw/zinc/87/54/35/607875435.db2.gz ZTKTZMYYLLZIPW-BDUNBXCCSA-N -1 3 396.447 3.036 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1c(Cl)cccc1Cl ZINC000826255272 607876560 /nfs/dbraw/zinc/87/65/60/607876560.db2.gz QZPKUFPNZWGHPO-LBPRGKRZSA-N -1 3 395.246 3.301 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000826278939 607877179 /nfs/dbraw/zinc/87/71/79/607877179.db2.gz ZKEHRXFVZNKYEH-AWEZNQCLSA-N -1 3 380.326 3.186 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000826278939 607877180 /nfs/dbraw/zinc/87/71/80/607877180.db2.gz ZKEHRXFVZNKYEH-AWEZNQCLSA-N -1 3 380.326 3.186 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)c1cccc(Br)c1 ZINC000826278689 607877208 /nfs/dbraw/zinc/87/72/08/607877208.db2.gz OLSLLIBJCVGPJW-AWEZNQCLSA-N -1 3 375.226 3.050 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)c1cccc(Br)c1 ZINC000826278689 607877209 /nfs/dbraw/zinc/87/72/09/607877209.db2.gz OLSLLIBJCVGPJW-AWEZNQCLSA-N -1 3 375.226 3.050 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)COc1c(Cl)cccc1Cl ZINC000826278701 607877454 /nfs/dbraw/zinc/87/74/54/607877454.db2.gz OSIHHRGXHHYJLD-LBPRGKRZSA-N -1 3 395.246 3.301 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)COc1c(Cl)cccc1Cl ZINC000826278701 607877455 /nfs/dbraw/zinc/87/74/55/607877455.db2.gz OSIHHRGXHHYJLD-LBPRGKRZSA-N -1 3 395.246 3.301 20 0 GGADHM O[C@H](COCc1ccccc1Cl)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826503912 607878495 /nfs/dbraw/zinc/87/84/95/607878495.db2.gz JKXKPOYUQFMIES-CYBMUJFWSA-N -1 3 395.246 3.130 20 0 GGADHM O[C@H](COCc1ccccc1Cl)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826503912 607878496 /nfs/dbraw/zinc/87/84/96/607878496.db2.gz JKXKPOYUQFMIES-CYBMUJFWSA-N -1 3 395.246 3.130 20 0 GGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826399190 607892421 /nfs/dbraw/zinc/89/24/21/607892421.db2.gz OXIJRZMCHPZQIP-OKZBNKHCSA-N -1 3 394.523 3.122 20 0 GGADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826399190 607892422 /nfs/dbraw/zinc/89/24/22/607892422.db2.gz OXIJRZMCHPZQIP-OKZBNKHCSA-N -1 3 394.523 3.122 20 0 GGADHM CC[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCCO1 ZINC000825141014 607912830 /nfs/dbraw/zinc/91/28/30/607912830.db2.gz MSCANOSBOIIZSO-MOPGFXCFSA-N -1 3 393.447 3.346 20 0 GGADHM CC[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCCO1 ZINC000825141014 607912831 /nfs/dbraw/zinc/91/28/31/607912831.db2.gz MSCANOSBOIIZSO-MOPGFXCFSA-N -1 3 393.447 3.346 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000824801441 607916716 /nfs/dbraw/zinc/91/67/16/607916716.db2.gz FPNXCBQLZXNKSQ-CQSZACIVSA-N -1 3 382.424 3.176 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000824801441 607916717 /nfs/dbraw/zinc/91/67/17/607916717.db2.gz FPNXCBQLZXNKSQ-CQSZACIVSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824459086 607917344 /nfs/dbraw/zinc/91/73/44/607917344.db2.gz ZVFNBGFUJOFWBO-GFCCVEGCSA-N -1 3 384.823 3.125 20 0 GGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824459086 607917345 /nfs/dbraw/zinc/91/73/45/607917345.db2.gz ZVFNBGFUJOFWBO-GFCCVEGCSA-N -1 3 384.823 3.125 20 0 GGADHM CC(C)[C@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824184753 607917887 /nfs/dbraw/zinc/91/78/87/607917887.db2.gz KPEPYPITNPOHHN-SFHVURJKSA-N -1 3 382.395 3.172 20 0 GGADHM CC(C)[C@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824184753 607917888 /nfs/dbraw/zinc/91/78/88/607917888.db2.gz KPEPYPITNPOHHN-SFHVURJKSA-N -1 3 382.395 3.172 20 0 GGADHM C[C@]1(NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCOC1 ZINC000824830295 607919619 /nfs/dbraw/zinc/91/96/19/607919619.db2.gz JEOQOFVODVODGC-IBGZPJMESA-N -1 3 398.398 3.099 20 0 GGADHM C[C@]1(NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCOC1 ZINC000824830295 607919620 /nfs/dbraw/zinc/91/96/20/607919620.db2.gz JEOQOFVODVODGC-IBGZPJMESA-N -1 3 398.398 3.099 20 0 GGADHM CCn1cc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000825799092 607928697 /nfs/dbraw/zinc/92/86/97/607928697.db2.gz CXEKSRAPTXDBQU-UHFFFAOYSA-N -1 3 377.404 3.077 20 0 GGADHM Cc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(C)n1CC(F)(F)F ZINC000826261776 607928900 /nfs/dbraw/zinc/92/89/00/607928900.db2.gz RJCSOVFPLOWDGX-UHFFFAOYSA-N -1 3 379.342 3.204 20 0 GGADHM Cc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(C)n1CC(F)(F)F ZINC000826261776 607928901 /nfs/dbraw/zinc/92/89/01/607928901.db2.gz RJCSOVFPLOWDGX-UHFFFAOYSA-N -1 3 379.342 3.204 20 0 GGADHM C[C@@H](N[C@@H](C)c1ncc(Br)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000824528510 607932350 /nfs/dbraw/zinc/93/23/50/607932350.db2.gz ATLNTECQLLMNQA-BDAKNGLRSA-N -1 3 379.287 3.498 20 0 GGADHM CC[C@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825210837 607934692 /nfs/dbraw/zinc/93/46/92/607934692.db2.gz JQBFGWWQZYTGRX-WFASDCNBSA-N -1 3 390.463 3.135 20 0 GGADHM CC[C@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825210837 607934693 /nfs/dbraw/zinc/93/46/93/607934693.db2.gz JQBFGWWQZYTGRX-WFASDCNBSA-N -1 3 390.463 3.135 20 0 GGADHM O=C(N[C@H]1CCCC[C@H]1O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826429640 607941817 /nfs/dbraw/zinc/94/18/17/607941817.db2.gz JGOODUDSDGJAAX-DLBZAZTESA-N -1 3 395.488 3.051 20 0 GGADHM O=C(N[C@H]1CCCC[C@H]1O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826429640 607941818 /nfs/dbraw/zinc/94/18/18/607941818.db2.gz JGOODUDSDGJAAX-DLBZAZTESA-N -1 3 395.488 3.051 20 0 GGADHM CCOc1ccccc1OCCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825658442 607945108 /nfs/dbraw/zinc/94/51/08/607945108.db2.gz FKZLWLDDJQEYQL-UHFFFAOYSA-N -1 3 393.447 3.014 20 0 GGADHM CCOc1ccccc1OCCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825658442 607945109 /nfs/dbraw/zinc/94/51/09/607945109.db2.gz FKZLWLDDJQEYQL-UHFFFAOYSA-N -1 3 393.447 3.014 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C ZINC000826281418 607945575 /nfs/dbraw/zinc/94/55/75/607945575.db2.gz QMSKUGLQIHGEAT-UHFFFAOYSA-N -1 3 375.432 3.036 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C ZINC000826281418 607945576 /nfs/dbraw/zinc/94/55/76/607945576.db2.gz QMSKUGLQIHGEAT-UHFFFAOYSA-N -1 3 375.432 3.036 20 0 GGADHM COc1cc(C2(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)CCC2)ccc1C ZINC000826178571 607946325 /nfs/dbraw/zinc/94/63/25/607946325.db2.gz DAMVQUKWVWIOLZ-UHFFFAOYSA-N -1 3 389.459 3.195 20 0 GGADHM COc1cc(C2(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)CCC2)ccc1C ZINC000826178571 607946326 /nfs/dbraw/zinc/94/63/26/607946326.db2.gz DAMVQUKWVWIOLZ-UHFFFAOYSA-N -1 3 389.459 3.195 20 0 GGADHM COc1ccc2oc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c(C)c2c1 ZINC000826213749 607947172 /nfs/dbraw/zinc/94/71/72/607947172.db2.gz KXFQPUJVYRMUJE-UHFFFAOYSA-N -1 3 375.388 3.133 20 0 GGADHM COc1ccc2oc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c(C)c2c1 ZINC000826213749 607947173 /nfs/dbraw/zinc/94/71/73/607947173.db2.gz KXFQPUJVYRMUJE-UHFFFAOYSA-N -1 3 375.388 3.133 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)COc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826285205 607947204 /nfs/dbraw/zinc/94/72/04/607947204.db2.gz RXLGVHFTBGTCHB-RBUKOAKNSA-N -1 3 394.431 3.017 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](OC(=O)COc3cccc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826285205 607947205 /nfs/dbraw/zinc/94/72/05/607947205.db2.gz RXLGVHFTBGTCHB-RBUKOAKNSA-N -1 3 394.431 3.017 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826219383 607947303 /nfs/dbraw/zinc/94/73/03/607947303.db2.gz AAHXFMMNECKGJR-CQSZACIVSA-N -1 3 377.448 3.033 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826219383 607947304 /nfs/dbraw/zinc/94/73/04/607947304.db2.gz AAHXFMMNECKGJR-CQSZACIVSA-N -1 3 377.448 3.033 20 0 GGADHM CCN(c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1)C(C)C ZINC000825444925 607948616 /nfs/dbraw/zinc/94/86/16/607948616.db2.gz SKOJBANMJWEAAT-UHFFFAOYSA-N -1 3 376.464 3.304 20 0 GGADHM CCN(c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1)C(C)C ZINC000825444925 607948617 /nfs/dbraw/zinc/94/86/17/607948617.db2.gz SKOJBANMJWEAAT-UHFFFAOYSA-N -1 3 376.464 3.304 20 0 GGADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2cccc(F)c2)CCCC1 ZINC000826426003 607951140 /nfs/dbraw/zinc/95/11/40/607951140.db2.gz BUXJAAHNCZRQIC-UHFFFAOYSA-N -1 3 377.423 3.407 20 0 GGADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2cccc(F)c2)CCCC1 ZINC000826426003 607951141 /nfs/dbraw/zinc/95/11/41/607951141.db2.gz BUXJAAHNCZRQIC-UHFFFAOYSA-N -1 3 377.423 3.407 20 0 GGADHM O=C(c1ccc(OC2CCCC2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473486 607951323 /nfs/dbraw/zinc/95/13/23/607951323.db2.gz ZXTULOJTAMUHFM-UHFFFAOYSA-N -1 3 375.432 3.391 20 0 GGADHM O=C(c1ccc(OC2CCCC2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473486 607951324 /nfs/dbraw/zinc/95/13/24/607951324.db2.gz ZXTULOJTAMUHFM-UHFFFAOYSA-N -1 3 375.432 3.391 20 0 GGADHM CC(C)COc1ccc(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000824272434 607953104 /nfs/dbraw/zinc/95/31/04/607953104.db2.gz XSYWROSHCCFODL-UHFFFAOYSA-N -1 3 377.448 3.033 20 0 GGADHM CC(C)COc1ccc(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000824272434 607953105 /nfs/dbraw/zinc/95/31/05/607953105.db2.gz XSYWROSHCCFODL-UHFFFAOYSA-N -1 3 377.448 3.033 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826409145 607953478 /nfs/dbraw/zinc/95/34/78/607953478.db2.gz KHGYFADMELCCTI-UHFFFAOYSA-N -1 3 386.415 3.044 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826409145 607953479 /nfs/dbraw/zinc/95/34/79/607953479.db2.gz KHGYFADMELCCTI-UHFFFAOYSA-N -1 3 386.415 3.044 20 0 GGADHM O=C(c1ccc(OCc2cccnc2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472972 607953686 /nfs/dbraw/zinc/95/36/86/607953686.db2.gz FGKNWSJJNGTEHO-UHFFFAOYSA-N -1 3 398.426 3.044 20 0 GGADHM O=C(c1ccc(OCc2cccnc2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472972 607953687 /nfs/dbraw/zinc/95/36/87/607953687.db2.gz FGKNWSJJNGTEHO-UHFFFAOYSA-N -1 3 398.426 3.044 20 0 GGADHM O=C(c1csc(Cc2ccccc2)n1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474724 607955419 /nfs/dbraw/zinc/95/54/19/607955419.db2.gz BSHULTNBTCFZQB-UHFFFAOYSA-N -1 3 388.456 3.117 20 0 GGADHM O=C(c1csc(Cc2ccccc2)n1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474724 607955420 /nfs/dbraw/zinc/95/54/20/607955420.db2.gz BSHULTNBTCFZQB-UHFFFAOYSA-N -1 3 388.456 3.117 20 0 GGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1sccc1-c1nnn[n-]1 ZINC000826457225 607957852 /nfs/dbraw/zinc/95/78/52/607957852.db2.gz RTJOVGFLDNJEEJ-UHFFFAOYSA-N -1 3 389.444 3.096 20 0 GGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1sccc1-c1nn[n-]n1 ZINC000826457225 607957853 /nfs/dbraw/zinc/95/78/53/607957853.db2.gz RTJOVGFLDNJEEJ-UHFFFAOYSA-N -1 3 389.444 3.096 20 0 GGADHM C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccncc1 ZINC000824722992 607959314 /nfs/dbraw/zinc/95/93/14/607959314.db2.gz LNTJBSKYLTYMGY-ZDUSSCGKSA-N -1 3 391.387 3.352 20 0 GGADHM C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccncc1 ZINC000824722992 607959315 /nfs/dbraw/zinc/95/93/15/607959315.db2.gz LNTJBSKYLTYMGY-ZDUSSCGKSA-N -1 3 391.387 3.352 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(C)noc1C ZINC000825132901 607960047 /nfs/dbraw/zinc/96/00/47/607960047.db2.gz FMAVVUORUZEWNE-CYBMUJFWSA-N -1 3 375.820 3.398 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)noc1C ZINC000825132901 607960048 /nfs/dbraw/zinc/96/00/48/607960048.db2.gz FMAVVUORUZEWNE-CYBMUJFWSA-N -1 3 375.820 3.398 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1cn[nH]c1 ZINC000824505852 607960784 /nfs/dbraw/zinc/96/07/84/607960784.db2.gz IKILKULERPQRMB-LBPRGKRZSA-N -1 3 390.407 3.265 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cn[nH]c1 ZINC000824505852 607960785 /nfs/dbraw/zinc/96/07/85/607960785.db2.gz IKILKULERPQRMB-LBPRGKRZSA-N -1 3 390.407 3.265 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824319474 607962155 /nfs/dbraw/zinc/96/21/55/607962155.db2.gz RWYQLSALTDUXEW-UTCJRWHESA-N -1 3 384.827 3.354 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824319474 607962156 /nfs/dbraw/zinc/96/21/56/607962156.db2.gz RWYQLSALTDUXEW-UTCJRWHESA-N -1 3 384.827 3.354 20 0 GGADHM O=C(Nc1ccncc1F)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826458663 607963678 /nfs/dbraw/zinc/96/36/78/607963678.db2.gz ADOKDZLMRQRQIB-UHFFFAOYSA-N -1 3 392.419 3.226 20 0 GGADHM O=C(Nc1ccncc1F)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826458663 607963679 /nfs/dbraw/zinc/96/36/79/607963679.db2.gz ADOKDZLMRQRQIB-UHFFFAOYSA-N -1 3 392.419 3.226 20 0 GGADHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000824677324 607967748 /nfs/dbraw/zinc/96/77/48/607967748.db2.gz DDYIRBFPQZBQLF-INIZCTEOSA-N -1 3 381.333 3.344 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000826372009 607969096 /nfs/dbraw/zinc/96/90/96/607969096.db2.gz COUBYEAJNIHKJE-INIZCTEOSA-N -1 3 391.353 3.185 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC[C@H]2CCCO2)cc1 ZINC000825782686 607975813 /nfs/dbraw/zinc/97/58/13/607975813.db2.gz LNFDYXDMUCEDDZ-QGZVFWFLSA-N -1 3 390.447 3.461 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC[C@H]2CCCO2)cc1 ZINC000825782686 607975814 /nfs/dbraw/zinc/97/58/14/607975814.db2.gz LNFDYXDMUCEDDZ-QGZVFWFLSA-N -1 3 390.447 3.461 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(Cl)nc1 ZINC000824319356 607978544 /nfs/dbraw/zinc/97/85/44/607978544.db2.gz NGHULLZCYQTCGH-XBXARRHUSA-N -1 3 384.827 3.354 20 0 GGADHM COc1ccc(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191279 607980428 /nfs/dbraw/zinc/98/04/28/607980428.db2.gz BNVRLEQHQWOYPP-CABCVRRESA-N -1 3 394.479 3.114 20 0 GGADHM COc1ccc(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191279 607980429 /nfs/dbraw/zinc/98/04/29/607980429.db2.gz BNVRLEQHQWOYPP-CABCVRRESA-N -1 3 394.479 3.114 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1CCC(F)(F)F ZINC000826441835 607982065 /nfs/dbraw/zinc/98/20/65/607982065.db2.gz XLNKJTSIBVIEQS-UHFFFAOYSA-N -1 3 393.344 3.431 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1CCC(F)(F)F ZINC000826441835 607982066 /nfs/dbraw/zinc/98/20/66/607982066.db2.gz XLNKJTSIBVIEQS-UHFFFAOYSA-N -1 3 393.344 3.431 20 0 GGADHM CC1(C)CC(C)(C)c2cc(N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000824790180 607983484 /nfs/dbraw/zinc/98/34/84/607983484.db2.gz LAIRLHWYWNCKFJ-SFHVURJKSA-N -1 3 390.491 3.464 20 0 GGADHM CC1(C)CC(C)(C)c2cc(N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000824790180 607983485 /nfs/dbraw/zinc/98/34/85/607983485.db2.gz LAIRLHWYWNCKFJ-SFHVURJKSA-N -1 3 390.491 3.464 20 0 GGADHM COc1ccc(CSCC(=O)NCCC2=CCCCC2)cc1-c1nnn[n-]1 ZINC000826207483 607983796 /nfs/dbraw/zinc/98/37/96/607983796.db2.gz PQFGAXZFNSKRRE-UHFFFAOYSA-N -1 3 387.509 3.115 20 0 GGADHM COc1ccc(CSCC(=O)NCCC2=CCCCC2)cc1-c1nn[n-]n1 ZINC000826207483 607983797 /nfs/dbraw/zinc/98/37/97/607983797.db2.gz PQFGAXZFNSKRRE-UHFFFAOYSA-N -1 3 387.509 3.115 20 0 GGADHM CCn1c(C)cc(C(=O)CSCc2ccc(OC)c(-c3nnn[n-]3)c2)c1C ZINC000825782772 607984151 /nfs/dbraw/zinc/98/41/51/607984151.db2.gz OONHGUVHPSRQEP-UHFFFAOYSA-N -1 3 385.493 3.430 20 0 GGADHM CCn1c(C)cc(C(=O)CSCc2ccc(OC)c(-c3nn[n-]n3)c2)c1C ZINC000825782772 607984152 /nfs/dbraw/zinc/98/41/52/607984152.db2.gz OONHGUVHPSRQEP-UHFFFAOYSA-N -1 3 385.493 3.430 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)NCc2ccccc2C)cc1-c1nnn[n-]1 ZINC000826207384 607984175 /nfs/dbraw/zinc/98/41/75/607984175.db2.gz MIOUHBKJHQQHRZ-AWEZNQCLSA-N -1 3 397.504 3.122 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)NCc2ccccc2C)cc1-c1nn[n-]n1 ZINC000826207384 607984176 /nfs/dbraw/zinc/98/41/76/607984176.db2.gz MIOUHBKJHQQHRZ-AWEZNQCLSA-N -1 3 397.504 3.122 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)N(C)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000826207447 607984238 /nfs/dbraw/zinc/98/42/38/607984238.db2.gz OFQDEHKTUPPJKP-CYBMUJFWSA-N -1 3 389.525 3.288 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)N(C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826207447 607984239 /nfs/dbraw/zinc/98/42/39/607984239.db2.gz OFQDEHKTUPPJKP-CYBMUJFWSA-N -1 3 389.525 3.288 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284563 607986200 /nfs/dbraw/zinc/98/62/00/607986200.db2.gz JMHFQDCKBZPLMF-NSHDSACASA-N -1 3 389.410 3.148 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284563 607986201 /nfs/dbraw/zinc/98/62/01/607986201.db2.gz JMHFQDCKBZPLMF-NSHDSACASA-N -1 3 389.410 3.148 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNC1(C(=O)OC(C)(C)C)CCCCC1 ZINC000826183894 607986561 /nfs/dbraw/zinc/98/65/61/607986561.db2.gz DRDOIRKKNFBMMD-UHFFFAOYSA-N -1 3 387.484 3.010 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNC1(C(=O)OC(C)(C)C)CCCCC1 ZINC000826183894 607986562 /nfs/dbraw/zinc/98/65/62/607986562.db2.gz DRDOIRKKNFBMMD-UHFFFAOYSA-N -1 3 387.484 3.010 20 0 GGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)cc1Br)c1ccsc1 ZINC000824677737 607990894 /nfs/dbraw/zinc/99/08/94/607990894.db2.gz HEUCTNFRQDVFAI-CQSZACIVSA-N -1 3 380.271 3.010 20 0 GGADHM CC1(C)CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)Cc2ccccc21 ZINC000824806879 607991783 /nfs/dbraw/zinc/99/17/83/607991783.db2.gz DOYPQMMJQXMNEA-UHFFFAOYSA-N -1 3 380.427 3.009 20 0 GGADHM CC1(C)CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)Cc2ccccc21 ZINC000824806879 607991784 /nfs/dbraw/zinc/99/17/84/607991784.db2.gz DOYPQMMJQXMNEA-UHFFFAOYSA-N -1 3 380.427 3.009 20 0 GGADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825082448 607994287 /nfs/dbraw/zinc/99/42/87/607994287.db2.gz UANVGOZYLAWHSE-RHSMWYFYSA-N -1 3 394.479 3.137 20 0 GGADHM COc1ccccc1[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826218681 607994843 /nfs/dbraw/zinc/99/48/43/607994843.db2.gz IUEOBQDSFVFEAO-IBGZPJMESA-N -1 3 387.399 3.217 20 0 GGADHM COc1ccccc1[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826218681 607994844 /nfs/dbraw/zinc/99/48/44/607994844.db2.gz IUEOBQDSFVFEAO-IBGZPJMESA-N -1 3 387.399 3.217 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000825319063 607996047 /nfs/dbraw/zinc/99/60/47/607996047.db2.gz WLFRKIYUQHKUCK-LJQANCHMSA-N -1 3 391.479 3.335 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000825319063 607996048 /nfs/dbraw/zinc/99/60/48/607996048.db2.gz WLFRKIYUQHKUCK-LJQANCHMSA-N -1 3 391.479 3.335 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1ccc(Cl)nc1 ZINC000826167473 608000654 /nfs/dbraw/zinc/00/06/54/608000654.db2.gz FZLDMUXXDVXDSZ-HWKANZROSA-N -1 3 392.202 3.196 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1ccc(Cl)nc1 ZINC000826167473 608000655 /nfs/dbraw/zinc/00/06/55/608000655.db2.gz FZLDMUXXDVXDSZ-HWKANZROSA-N -1 3 392.202 3.196 20 0 GGADHM CC(C)(C)C1=CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824072209 608003548 /nfs/dbraw/zinc/00/35/48/608003548.db2.gz TXMNXRZQZPUIIC-GOSISDBHSA-N -1 3 380.496 3.040 20 0 GGADHM CC(C)Cn1ncc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1C(F)F ZINC000824285175 608003579 /nfs/dbraw/zinc/00/35/79/608003579.db2.gz ZWWIDYFMTCMCBG-UHFFFAOYSA-N -1 3 393.373 3.073 20 0 GGADHM CC(C)Cn1ncc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1C(F)F ZINC000824285175 608003580 /nfs/dbraw/zinc/00/35/80/608003580.db2.gz ZWWIDYFMTCMCBG-UHFFFAOYSA-N -1 3 393.373 3.073 20 0 GGADHM CCc1c(C)sc(NC(=O)CCc2ccccc2C(=O)OC)c1-c1nnn[n-]1 ZINC000825688427 608003891 /nfs/dbraw/zinc/00/38/91/608003891.db2.gz ZKGSZTCACABCNA-UHFFFAOYSA-N -1 3 399.476 3.157 20 0 GGADHM CCc1c(C)sc(NC(=O)CCc2ccccc2C(=O)OC)c1-c1nn[n-]n1 ZINC000825688427 608003892 /nfs/dbraw/zinc/00/38/92/608003892.db2.gz ZKGSZTCACABCNA-UHFFFAOYSA-N -1 3 399.476 3.157 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000826190960 608004183 /nfs/dbraw/zinc/00/41/83/608004183.db2.gz RWWUXYJOBAYOEI-CYBMUJFWSA-N -1 3 382.468 3.249 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000826190960 608004184 /nfs/dbraw/zinc/00/41/84/608004184.db2.gz RWWUXYJOBAYOEI-CYBMUJFWSA-N -1 3 382.468 3.249 20 0 GGADHM O=C(Nc1cncc2ccccc21)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826459233 608005040 /nfs/dbraw/zinc/00/50/40/608005040.db2.gz AUPMBLLFOUKFTA-IBGZPJMESA-N -1 3 385.431 3.022 20 0 GGADHM CC(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1C ZINC000824024454 608005275 /nfs/dbraw/zinc/00/52/75/608005275.db2.gz FTMJTAJSGBPCCT-IBGZPJMESA-N -1 3 393.447 3.420 20 0 GGADHM CC(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1C ZINC000824024454 608005276 /nfs/dbraw/zinc/00/52/76/608005276.db2.gz FTMJTAJSGBPCCT-IBGZPJMESA-N -1 3 393.447 3.420 20 0 GGADHM CCN(C(=O)c1cnn(CC(C)C)c1C(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391328 608005531 /nfs/dbraw/zinc/00/55/31/608005531.db2.gz YESHCHIHCLPBJR-UHFFFAOYSA-N -1 3 389.410 3.324 20 0 GGADHM CCN(C(=O)c1cnn(CC(C)C)c1C(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391328 608005532 /nfs/dbraw/zinc/00/55/32/608005532.db2.gz YESHCHIHCLPBJR-UHFFFAOYSA-N -1 3 389.410 3.324 20 0 GGADHM CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825829921 608006077 /nfs/dbraw/zinc/00/60/77/608006077.db2.gz KOKNEJZCSZCYPO-UHFFFAOYSA-N -1 3 398.426 3.396 20 0 GGADHM CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825829921 608006078 /nfs/dbraw/zinc/00/60/78/608006078.db2.gz KOKNEJZCSZCYPO-UHFFFAOYSA-N -1 3 398.426 3.396 20 0 GGADHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)sc1Br ZINC000826177801 608006364 /nfs/dbraw/zinc/00/63/64/608006364.db2.gz WBVJIAIJUZXNNN-UHFFFAOYSA-N -1 3 398.217 3.091 20 0 GGADHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)sc1Br ZINC000826177801 608006365 /nfs/dbraw/zinc/00/63/65/608006365.db2.gz WBVJIAIJUZXNNN-UHFFFAOYSA-N -1 3 398.217 3.091 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1-c1nnn[n-]1 ZINC000824329076 608007535 /nfs/dbraw/zinc/00/75/35/608007535.db2.gz HJLLRWSFYFORCI-SFHVURJKSA-N -1 3 393.451 3.322 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1-c1nn[n-]n1 ZINC000824329076 608007536 /nfs/dbraw/zinc/00/75/36/608007536.db2.gz HJLLRWSFYFORCI-SFHVURJKSA-N -1 3 393.451 3.322 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826191987 608008093 /nfs/dbraw/zinc/00/80/93/608008093.db2.gz WMUGFIVPCCOXBY-LBPRGKRZSA-N -1 3 384.415 3.015 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826191987 608008094 /nfs/dbraw/zinc/00/80/94/608008094.db2.gz WMUGFIVPCCOXBY-LBPRGKRZSA-N -1 3 384.415 3.015 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)c2cccnc2C)CC1 ZINC000826255475 608012263 /nfs/dbraw/zinc/01/22/63/608012263.db2.gz ZAXRAXUBXKDQEY-UHFFFAOYSA-N -1 3 392.463 3.459 20 0 GGADHM C[C@H](SC1=N[C@H](C)CS1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825014186 608013985 /nfs/dbraw/zinc/01/39/85/608013985.db2.gz UXSIDSAPKHCCLZ-SFYZADRCSA-N -1 3 382.902 3.072 20 0 GGADHM C[C@H](SC1=N[C@H](C)CS1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825014186 608013986 /nfs/dbraw/zinc/01/39/86/608013986.db2.gz UXSIDSAPKHCCLZ-SFYZADRCSA-N -1 3 382.902 3.072 20 0 GGADHM CCc1noc(CC)c1CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825777304 608015614 /nfs/dbraw/zinc/01/56/14/608015614.db2.gz SUJFBSFVYIEOJM-UHFFFAOYSA-N -1 3 395.250 3.216 20 0 GGADHM CCc1noc(CC)c1CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825777304 608015615 /nfs/dbraw/zinc/01/56/15/608015615.db2.gz SUJFBSFVYIEOJM-UHFFFAOYSA-N -1 3 395.250 3.216 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000826262582 608017106 /nfs/dbraw/zinc/01/71/06/608017106.db2.gz SGKRCQYLJCNSEG-LBPRGKRZSA-N -1 3 376.424 3.144 20 0 GGADHM COc1ccccc1[C@H](Nc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000826218540 608017220 /nfs/dbraw/zinc/01/72/20/608017220.db2.gz FULHZRRRHSZHOP-IBGZPJMESA-N -1 3 387.447 3.484 20 0 GGADHM COc1ccccc1[C@H](Nc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccccn1 ZINC000826218540 608017221 /nfs/dbraw/zinc/01/72/21/608017221.db2.gz FULHZRRRHSZHOP-IBGZPJMESA-N -1 3 387.447 3.484 20 0 GGADHM CN(C)c1nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ns1 ZINC000825883859 608018744 /nfs/dbraw/zinc/01/87/44/608018744.db2.gz NRJGLKNLAJUDRX-UHFFFAOYSA-N -1 3 394.464 3.189 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000825319183 608023278 /nfs/dbraw/zinc/02/32/78/608023278.db2.gz ZWLSKYKQUHREAD-OAHLLOKOSA-N -1 3 398.492 3.227 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000825319183 608023279 /nfs/dbraw/zinc/02/32/79/608023279.db2.gz ZWLSKYKQUHREAD-OAHLLOKOSA-N -1 3 398.492 3.227 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1scnc1C1CC1 ZINC000826167905 608024126 /nfs/dbraw/zinc/02/41/26/608024126.db2.gz VRXLUUJSVBBTOQ-UHFFFAOYSA-N -1 3 377.813 3.082 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1scnc1C1CC1 ZINC000826167905 608024127 /nfs/dbraw/zinc/02/41/27/608024127.db2.gz VRXLUUJSVBBTOQ-UHFFFAOYSA-N -1 3 377.813 3.082 20 0 GGADHM COc1ccccc1[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccccn1 ZINC000826218431 608027360 /nfs/dbraw/zinc/02/73/60/608027360.db2.gz BNEDRRBKLGZJHS-SFHVURJKSA-N -1 3 378.461 3.211 20 0 GGADHM COc1ccccc1[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccccn1 ZINC000826218431 608027361 /nfs/dbraw/zinc/02/73/61/608027361.db2.gz BNEDRRBKLGZJHS-SFHVURJKSA-N -1 3 378.461 3.211 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Oc2cccnc2)nc1 ZINC000826408827 608027764 /nfs/dbraw/zinc/02/77/64/608027764.db2.gz WTSPHFMOGWOKPA-UHFFFAOYSA-N -1 3 387.403 3.020 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2cccnc2)nc1 ZINC000826408827 608027765 /nfs/dbraw/zinc/02/77/65/608027765.db2.gz WTSPHFMOGWOKPA-UHFFFAOYSA-N -1 3 387.403 3.020 20 0 GGADHM O=C(NC1(CCOCc2ccccc2)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826427437 608030718 /nfs/dbraw/zinc/03/07/18/608030718.db2.gz POQMGCQOJIPXNR-UHFFFAOYSA-N -1 3 399.401 3.014 20 0 GGADHM O=C(NC1(CCOCc2ccccc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826427437 608030719 /nfs/dbraw/zinc/03/07/19/608030719.db2.gz POQMGCQOJIPXNR-UHFFFAOYSA-N -1 3 399.401 3.014 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826419341 608032262 /nfs/dbraw/zinc/03/22/62/608032262.db2.gz SUFOYOAFRNXHBR-GOSISDBHSA-N -1 3 391.475 3.259 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826419341 608032263 /nfs/dbraw/zinc/03/22/63/608032263.db2.gz SUFOYOAFRNXHBR-GOSISDBHSA-N -1 3 391.475 3.259 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826213455 608040068 /nfs/dbraw/zinc/04/00/68/608040068.db2.gz XEBMQIZIHAUNGQ-WFASDCNBSA-N -1 3 380.404 3.046 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826213455 608040069 /nfs/dbraw/zinc/04/00/69/608040069.db2.gz XEBMQIZIHAUNGQ-WFASDCNBSA-N -1 3 380.404 3.046 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826213452 608040076 /nfs/dbraw/zinc/04/00/76/608040076.db2.gz XEBMQIZIHAUNGQ-DOMZBBRYSA-N -1 3 380.404 3.046 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826213452 608040077 /nfs/dbraw/zinc/04/00/77/608040077.db2.gz XEBMQIZIHAUNGQ-DOMZBBRYSA-N -1 3 380.404 3.046 20 0 GGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1SCCS1 ZINC000826442335 608046694 /nfs/dbraw/zinc/04/66/94/608046694.db2.gz RINMKLQOCOKZDI-UHFFFAOYSA-N -1 3 389.531 3.018 20 0 GGADHM CCc1ccccc1NC(=S)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825723279 608047317 /nfs/dbraw/zinc/04/73/17/608047317.db2.gz WIXLOHRHANKSKZ-SFHVURJKSA-N -1 3 394.504 3.199 20 0 GGADHM CCc1ccccc1NC(=S)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825723279 608047318 /nfs/dbraw/zinc/04/73/18/608047318.db2.gz WIXLOHRHANKSKZ-SFHVURJKSA-N -1 3 394.504 3.199 20 0 GGADHM Cc1ccc(NC(=S)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1F ZINC000826291331 608047363 /nfs/dbraw/zinc/04/73/63/608047363.db2.gz ALOKDBYGZDOHTF-KRWDZBQOSA-N -1 3 398.467 3.085 20 0 GGADHM Cc1ccc(NC(=S)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1F ZINC000826291331 608047364 /nfs/dbraw/zinc/04/73/64/608047364.db2.gz ALOKDBYGZDOHTF-KRWDZBQOSA-N -1 3 398.467 3.085 20 0 GGADHM CCn1nc(C)c(CNc2ccc(-c3nn[n-]n3)cc2Br)c1C ZINC000825806800 608048749 /nfs/dbraw/zinc/04/87/49/608048749.db2.gz FJMPCLGQLWGZSP-UHFFFAOYSA-N -1 3 376.262 3.075 20 0 GGADHM Cc1cc([C@@](C)(O)CNc2ccc(-c3nn[n-]n3)cc2Br)c(C)o1 ZINC000826261621 608050154 /nfs/dbraw/zinc/05/01/54/608050154.db2.gz LMXNYIRKYABDBD-INIZCTEOSA-N -1 3 392.257 3.159 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCOC2(CCCCC2)C1 ZINC000823826303 608050379 /nfs/dbraw/zinc/05/03/79/608050379.db2.gz HGGWMRWZKFRQKO-UHFFFAOYSA-N -1 3 378.274 3.169 20 0 GGADHM Cc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2cccc(F)c2n1 ZINC000826269797 608052146 /nfs/dbraw/zinc/05/21/46/608052146.db2.gz XQWHNJYSDIBVRV-IBGZPJMESA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c2cccc(F)c2n1 ZINC000826269797 608052147 /nfs/dbraw/zinc/05/21/47/608052147.db2.gz XQWHNJYSDIBVRV-IBGZPJMESA-N -1 3 390.422 3.440 20 0 GGADHM S=c1oc2ccccc2n1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511709 608055260 /nfs/dbraw/zinc/05/52/60/608055260.db2.gz BJMHYUUUPXZHGS-KRWDZBQOSA-N -1 3 394.460 3.175 20 0 GGADHM S=c1oc2ccccc2n1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826511709 608055261 /nfs/dbraw/zinc/05/52/61/608055261.db2.gz BJMHYUUUPXZHGS-KRWDZBQOSA-N -1 3 394.460 3.175 20 0 GGADHM S=c1oc2ccccc2n1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511710 608055266 /nfs/dbraw/zinc/05/52/66/608055266.db2.gz BJMHYUUUPXZHGS-QGZVFWFLSA-N -1 3 394.460 3.175 20 0 GGADHM S=c1oc2ccccc2n1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826511710 608055267 /nfs/dbraw/zinc/05/52/67/608055267.db2.gz BJMHYUUUPXZHGS-QGZVFWFLSA-N -1 3 394.460 3.175 20 0 GGADHM O=C(Nc1cn[nH]c1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826459066 608055284 /nfs/dbraw/zinc/05/52/84/608055284.db2.gz SZWHHWKORMSCNM-UHFFFAOYSA-N -1 3 381.783 3.288 20 0 GGADHM O=C(Nc1cn[nH]c1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826459066 608055285 /nfs/dbraw/zinc/05/52/85/608055285.db2.gz SZWHHWKORMSCNM-UHFFFAOYSA-N -1 3 381.783 3.288 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cnc(-c2cccnc2)s1 ZINC000824148201 608060845 /nfs/dbraw/zinc/06/08/45/608060845.db2.gz PCQXSWDUDMQBOB-UHFFFAOYSA-N -1 3 394.464 3.194 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2cccnc2)s1 ZINC000824148201 608060846 /nfs/dbraw/zinc/06/08/46/608060846.db2.gz PCQXSWDUDMQBOB-UHFFFAOYSA-N -1 3 394.464 3.194 20 0 GGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825267985 608062658 /nfs/dbraw/zinc/06/26/58/608062658.db2.gz PJKOKLADHRUVMZ-AYOQOUSVSA-N -1 3 398.511 3.309 20 0 GGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825267985 608062659 /nfs/dbraw/zinc/06/26/59/608062659.db2.gz PJKOKLADHRUVMZ-AYOQOUSVSA-N -1 3 398.511 3.309 20 0 GGADHM CCN(C(=O)c1cnc(-c2cccnc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385659 608066307 /nfs/dbraw/zinc/06/63/07/608066307.db2.gz PKSNIDBDGRIEKF-UHFFFAOYSA-N -1 3 377.433 3.052 20 0 GGADHM CCN(C(=O)c1cnc(-c2cccnc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385659 608066308 /nfs/dbraw/zinc/06/63/08/608066308.db2.gz PKSNIDBDGRIEKF-UHFFFAOYSA-N -1 3 377.433 3.052 20 0 GGADHM CC(C)Oc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824324116 608069510 /nfs/dbraw/zinc/06/95/10/608069510.db2.gz HCHJEAANQSUEMK-HXUWFJFHSA-N -1 3 379.464 3.227 20 0 GGADHM C[C@]1(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)CCOC1 ZINC000824837584 608072098 /nfs/dbraw/zinc/07/20/98/608072098.db2.gz GVUQQPOGBGZLDP-IBGZPJMESA-N -1 3 399.838 3.221 20 0 GGADHM C[C@]1(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC000824837584 608072099 /nfs/dbraw/zinc/07/20/99/608072099.db2.gz GVUQQPOGBGZLDP-IBGZPJMESA-N -1 3 399.838 3.221 20 0 GGADHM COc1ccc(COC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826204764 608072387 /nfs/dbraw/zinc/07/23/87/608072387.db2.gz YMSRFZBAUGUHQQ-NSHDSACASA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(COC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826204350 608072530 /nfs/dbraw/zinc/07/25/30/608072530.db2.gz HXKAILVFBGNNQG-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826204350 608072531 /nfs/dbraw/zinc/07/25/31/608072531.db2.gz HXKAILVFBGNNQG-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(-c2cccnc2)s1 ZINC000826254640 608072803 /nfs/dbraw/zinc/07/28/03/608072803.db2.gz VEGOXCABLSEJJN-UHFFFAOYSA-N -1 3 378.417 3.051 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(-c2cccnc2)s1 ZINC000826254640 608072804 /nfs/dbraw/zinc/07/28/04/608072804.db2.gz VEGOXCABLSEJJN-UHFFFAOYSA-N -1 3 378.417 3.051 20 0 GGADHM O=C(NC1CCC(F)(F)CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826428563 608073185 /nfs/dbraw/zinc/07/31/85/608073185.db2.gz FOTNFYNJIXNLHU-UHFFFAOYSA-N -1 3 376.411 3.119 20 0 GGADHM O=C(NC1CCC(F)(F)CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826428563 608073186 /nfs/dbraw/zinc/07/31/86/608073186.db2.gz FOTNFYNJIXNLHU-UHFFFAOYSA-N -1 3 376.411 3.119 20 0 GGADHM C[C@@H]1CC[C@H](COC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000824907251 608076098 /nfs/dbraw/zinc/07/60/98/608076098.db2.gz HGEFYGBKBVOZCW-RDTXWAMCSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@@H]1CC[C@H](COC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000824907251 608076099 /nfs/dbraw/zinc/07/60/99/608076099.db2.gz HGEFYGBKBVOZCW-RDTXWAMCSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@@H]1CC[C@@H](COC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)O1 ZINC000824910689 608076239 /nfs/dbraw/zinc/07/62/39/608076239.db2.gz YCHUFOGHPJUXHX-KUHUBIRLSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@@H]1CC[C@@H](COC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)O1 ZINC000824910689 608076240 /nfs/dbraw/zinc/07/62/40/608076240.db2.gz YCHUFOGHPJUXHX-KUHUBIRLSA-N -1 3 394.431 3.170 20 0 GGADHM CC1(C)CCC(CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000824797262 608080769 /nfs/dbraw/zinc/08/07/69/608080769.db2.gz XLBVOIILOJQKNI-SFHVURJKSA-N -1 3 383.496 3.373 20 0 GGADHM CC1(C)CCC(CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000824797262 608080770 /nfs/dbraw/zinc/08/07/70/608080770.db2.gz XLBVOIILOJQKNI-SFHVURJKSA-N -1 3 383.496 3.373 20 0 GGADHM CC(C)[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC000824184912 608083632 /nfs/dbraw/zinc/08/36/32/608083632.db2.gz NYZXSFPFMLLLAG-PMACEKPBSA-N -1 3 391.475 3.206 20 0 GGADHM CC(C)[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC000824184912 608083633 /nfs/dbraw/zinc/08/36/33/608083633.db2.gz NYZXSFPFMLLLAG-PMACEKPBSA-N -1 3 391.475 3.206 20 0 GGADHM O=C(c1csc2c1CCCC2)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474811 608083680 /nfs/dbraw/zinc/08/36/80/608083680.db2.gz GPLUABHXHSKCMI-QGZVFWFLSA-N -1 3 395.488 3.021 20 0 GGADHM O=C(c1csc2c1CCCC2)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474811 608083681 /nfs/dbraw/zinc/08/36/81/608083681.db2.gz GPLUABHXHSKCMI-QGZVFWFLSA-N -1 3 395.488 3.021 20 0 GGADHM CC(C)(C)SCCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824124751 608083724 /nfs/dbraw/zinc/08/37/24/608083724.db2.gz YUWJOSVRYZZCPG-MRXNPFEDSA-N -1 3 389.525 3.079 20 0 GGADHM CC(C)(C)SCCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824124751 608083725 /nfs/dbraw/zinc/08/37/25/608083725.db2.gz YUWJOSVRYZZCPG-MRXNPFEDSA-N -1 3 389.525 3.079 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1F ZINC000824385710 608084578 /nfs/dbraw/zinc/08/45/78/608084578.db2.gz ZRHUBUGTTAIPSS-AUUYWEPGSA-N -1 3 395.438 3.100 20 0 GGADHM C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1F ZINC000824385710 608084579 /nfs/dbraw/zinc/08/45/79/608084579.db2.gz ZRHUBUGTTAIPSS-AUUYWEPGSA-N -1 3 395.438 3.100 20 0 GGADHM CCCc1cc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)sc1C ZINC000825348712 608086055 /nfs/dbraw/zinc/08/60/55/608086055.db2.gz XKBHAECGUKVLEC-KRWDZBQOSA-N -1 3 397.504 3.403 20 0 GGADHM CCCc1cc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)sc1C ZINC000825348712 608086056 /nfs/dbraw/zinc/08/60/56/608086056.db2.gz XKBHAECGUKVLEC-KRWDZBQOSA-N -1 3 397.504 3.403 20 0 GGADHM O=C(/C=C\Sc1ccccc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826399623 608089723 /nfs/dbraw/zinc/08/97/23/608089723.db2.gz AUDMWRVWTCCNBU-DVESRUBUSA-N -1 3 393.472 3.073 20 0 GGADHM O=C(/C=C\Sc1ccccc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826399623 608089724 /nfs/dbraw/zinc/08/97/24/608089724.db2.gz AUDMWRVWTCCNBU-DVESRUBUSA-N -1 3 393.472 3.073 20 0 GGADHM Cc1ccc(/C=C\CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826286073 608090510 /nfs/dbraw/zinc/09/05/10/608090510.db2.gz RKWOUUKRRGPYOJ-POIDEFEESA-N -1 3 389.459 3.179 20 0 GGADHM Cc1ccc(/C=C\CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826286073 608090511 /nfs/dbraw/zinc/09/05/11/608090511.db2.gz RKWOUUKRRGPYOJ-POIDEFEESA-N -1 3 389.459 3.179 20 0 GGADHM COc1ccc(C[C@H](C)CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1OC ZINC000826191390 608099309 /nfs/dbraw/zinc/09/93/09/608099309.db2.gz FVJQDKAKHRESGS-ZDUSSCGKSA-N -1 3 394.479 3.058 20 0 GGADHM COc1ccc(C[C@H](C)CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1OC ZINC000826191390 608099310 /nfs/dbraw/zinc/09/93/10/608099310.db2.gz FVJQDKAKHRESGS-ZDUSSCGKSA-N -1 3 394.479 3.058 20 0 GGADHM CN1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826022964 608099394 /nfs/dbraw/zinc/09/93/94/608099394.db2.gz UGJBEHZGXWGUNL-YVEFUNNKSA-N -1 3 387.850 3.159 20 0 GGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824966606 608100209 /nfs/dbraw/zinc/10/02/09/608100209.db2.gz CLZWDUJIXQUYNB-KPZWWZAWSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824966606 608100210 /nfs/dbraw/zinc/10/02/10/608100210.db2.gz CLZWDUJIXQUYNB-KPZWWZAWSA-N -1 3 380.427 3.129 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1scnc1C1CC1 ZINC000824206778 608101599 /nfs/dbraw/zinc/10/15/99/608101599.db2.gz IQPVEWTWWQDBCQ-HNNXBMFYSA-N -1 3 384.465 3.243 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1scnc1C1CC1 ZINC000824206778 608101600 /nfs/dbraw/zinc/10/16/00/608101600.db2.gz IQPVEWTWWQDBCQ-HNNXBMFYSA-N -1 3 384.465 3.243 20 0 GGADHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826427664 608103015 /nfs/dbraw/zinc/10/30/15/608103015.db2.gz WMXOCOGZTWKOGH-UHFFFAOYSA-N -1 3 391.328 3.232 20 0 GGADHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826427664 608103016 /nfs/dbraw/zinc/10/30/16/608103016.db2.gz WMXOCOGZTWKOGH-UHFFFAOYSA-N -1 3 391.328 3.232 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000826118026 608105962 /nfs/dbraw/zinc/10/59/62/608105962.db2.gz WXDQEYXSDTYAQS-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000826118026 608105963 /nfs/dbraw/zinc/10/59/63/608105963.db2.gz WXDQEYXSDTYAQS-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM O=C(Nc1cccc(CO)c1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826456642 608105969 /nfs/dbraw/zinc/10/59/69/608105969.db2.gz PRNTWKXYYRHUCS-UHFFFAOYSA-N -1 3 386.415 3.355 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826451976 608106113 /nfs/dbraw/zinc/10/61/13/608106113.db2.gz DKIWCSNVJRSKHU-JHJVBQTASA-N -1 3 396.929 3.021 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826451976 608106114 /nfs/dbraw/zinc/10/61/14/608106114.db2.gz DKIWCSNVJRSKHU-JHJVBQTASA-N -1 3 396.929 3.021 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000826451977 608106169 /nfs/dbraw/zinc/10/61/69/608106169.db2.gz DKIWCSNVJRSKHU-UPJWGTAASA-N -1 3 396.929 3.021 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000826451977 608106170 /nfs/dbraw/zinc/10/61/70/608106170.db2.gz DKIWCSNVJRSKHU-UPJWGTAASA-N -1 3 396.929 3.021 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)cccc1-c1nnn[n-]1 ZINC000826241667 608106833 /nfs/dbraw/zinc/10/68/33/608106833.db2.gz KZHMWHRSHJSPPF-AWEZNQCLSA-N -1 3 395.442 3.105 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)cccc1-c1nn[n-]n1 ZINC000826241667 608106834 /nfs/dbraw/zinc/10/68/34/608106834.db2.gz KZHMWHRSHJSPPF-AWEZNQCLSA-N -1 3 395.442 3.105 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)N[C@H]1CCCC[C@@H]1C ZINC000825796544 608109280 /nfs/dbraw/zinc/10/92/80/608109280.db2.gz GYMYTKZSUFXXFR-AAEUAGOBSA-N -1 3 384.513 3.101 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)N[C@H]1CCCC[C@@H]1C ZINC000825796544 608109281 /nfs/dbraw/zinc/10/92/81/608109281.db2.gz GYMYTKZSUFXXFR-AAEUAGOBSA-N -1 3 384.513 3.101 20 0 GGADHM COC(=O)[C@@H](NCC1(c2ccccc2Cl)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111478 608111145 /nfs/dbraw/zinc/11/11/45/608111145.db2.gz GARYPRKXCXPVGC-KRWDZBQOSA-N -1 3 397.866 3.056 20 0 GGADHM COC(=O)[C@@H](NCC1(c2ccccc2Cl)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111478 608111146 /nfs/dbraw/zinc/11/11/46/608111146.db2.gz GARYPRKXCXPVGC-KRWDZBQOSA-N -1 3 397.866 3.056 20 0 GGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824053445 608117299 /nfs/dbraw/zinc/11/72/99/608117299.db2.gz YSWSNRNWSHXWSG-GFCCVEGCSA-N -1 3 388.374 3.261 20 0 GGADHM C[C@@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824053445 608117300 /nfs/dbraw/zinc/11/73/00/608117300.db2.gz YSWSNRNWSHXWSG-GFCCVEGCSA-N -1 3 388.374 3.261 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccc(F)n1 ZINC000826455245 608120023 /nfs/dbraw/zinc/12/00/23/608120023.db2.gz GCAGELZCGXVOJH-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cnc2[nH]cnc2c1 ZINC000826455369 608120154 /nfs/dbraw/zinc/12/01/54/608120154.db2.gz KZTARMSLGCLIOY-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cnc2[nH]cnc2c1 ZINC000826455369 608120155 /nfs/dbraw/zinc/12/01/55/608120155.db2.gz KZTARMSLGCLIOY-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM Cc1cc([C@H]2CN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCO2)ccc1F ZINC000826266649 608120161 /nfs/dbraw/zinc/12/01/61/608120161.db2.gz WVICDRHSMCOAOZ-GOSISDBHSA-N -1 3 396.426 3.228 20 0 GGADHM Cc1cc([C@H]2CN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCO2)ccc1F ZINC000826266649 608120162 /nfs/dbraw/zinc/12/01/62/608120162.db2.gz WVICDRHSMCOAOZ-GOSISDBHSA-N -1 3 396.426 3.228 20 0 GGADHM CCN(Cc1ccccc1C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825439925 608122122 /nfs/dbraw/zinc/12/21/22/608122122.db2.gz UEYUJYWVPLMSHC-AWEZNQCLSA-N -1 3 382.468 3.234 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1NCc1ccco1 ZINC000826454203 608122376 /nfs/dbraw/zinc/12/23/76/608122376.db2.gz NEFVSLZEXXSNML-UHFFFAOYSA-N -1 3 378.367 3.463 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1NCc1ccco1 ZINC000826454203 608122377 /nfs/dbraw/zinc/12/23/77/608122377.db2.gz NEFVSLZEXXSNML-UHFFFAOYSA-N -1 3 378.367 3.463 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C(C)C)on1 ZINC000825610202 608122636 /nfs/dbraw/zinc/12/26/36/608122636.db2.gz YSXGAPAGVFNIFL-UHFFFAOYSA-N -1 3 377.788 3.249 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C(C)C)on1 ZINC000825610202 608122637 /nfs/dbraw/zinc/12/26/37/608122637.db2.gz YSXGAPAGVFNIFL-UHFFFAOYSA-N -1 3 377.788 3.249 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nc2ccccc2nc1N1CCCC1 ZINC000826373464 608123107 /nfs/dbraw/zinc/12/31/07/608123107.db2.gz MXWCBKCBYCRDJF-UHFFFAOYSA-N -1 3 390.426 3.161 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nc2ccccc2nc1N1CCCC1 ZINC000826373464 608123108 /nfs/dbraw/zinc/12/31/08/608123108.db2.gz MXWCBKCBYCRDJF-UHFFFAOYSA-N -1 3 390.426 3.161 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@@H](c3cc(C)cc(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826264688 608129518 /nfs/dbraw/zinc/12/95/18/608129518.db2.gz WUXMEKQWMWRJTH-MRXNPFEDSA-N -1 3 394.479 3.121 20 0 GGADHM CC(C)c1cnc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)s1 ZINC000824352372 608133718 /nfs/dbraw/zinc/13/37/18/608133718.db2.gz BHPPRCWMVCDTTF-UHFFFAOYSA-N -1 3 384.444 3.384 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(C)ccc2o1 ZINC000826161536 608138133 /nfs/dbraw/zinc/13/81/33/608138133.db2.gz NDBHELPNOGAYDY-UHFFFAOYSA-N -1 3 393.403 3.199 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(C)ccc2o1 ZINC000826161536 608138134 /nfs/dbraw/zinc/13/81/34/608138134.db2.gz NDBHELPNOGAYDY-UHFFFAOYSA-N -1 3 393.403 3.199 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(SC)ccc1C ZINC000826161747 608138197 /nfs/dbraw/zinc/13/81/97/608138197.db2.gz XRCOICIITIZDHA-UHFFFAOYSA-N -1 3 399.476 3.175 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(SC)ccc1C ZINC000826161747 608138198 /nfs/dbraw/zinc/13/81/98/608138198.db2.gz XRCOICIITIZDHA-UHFFFAOYSA-N -1 3 399.476 3.175 20 0 GGADHM CCCc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cnn1C1CCCC1 ZINC000825348466 608141583 /nfs/dbraw/zinc/14/15/83/608141583.db2.gz LYUZBOHKWOWCFJ-UHFFFAOYSA-N -1 3 380.452 3.488 20 0 GGADHM CCCc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cnn1C1CCCC1 ZINC000825348466 608141584 /nfs/dbraw/zinc/14/15/84/608141584.db2.gz LYUZBOHKWOWCFJ-UHFFFAOYSA-N -1 3 380.452 3.488 20 0 GGADHM O=C1[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477414 608148867 /nfs/dbraw/zinc/14/88/67/608148867.db2.gz CJWHSMBDCRIZFA-HNNXBMFYSA-N -1 3 390.781 3.016 20 0 GGADHM O=C1[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477414 608148868 /nfs/dbraw/zinc/14/88/68/608148868.db2.gz CJWHSMBDCRIZFA-HNNXBMFYSA-N -1 3 390.781 3.016 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ncccc1C(F)(F)F ZINC000826460814 608149555 /nfs/dbraw/zinc/14/95/55/608149555.db2.gz SZRUQIKDDKWVKO-UHFFFAOYSA-N -1 3 394.382 3.473 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ncccc1C(F)(F)F ZINC000826460814 608149556 /nfs/dbraw/zinc/14/95/56/608149556.db2.gz SZRUQIKDDKWVKO-UHFFFAOYSA-N -1 3 394.382 3.473 20 0 GGADHM CN1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029650 608150711 /nfs/dbraw/zinc/15/07/11/608150711.db2.gz VFERIOBYJXPZTO-XJKSGUPXSA-N -1 3 391.813 3.051 20 0 GGADHM CN1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029650 608150712 /nfs/dbraw/zinc/15/07/12/608150712.db2.gz VFERIOBYJXPZTO-XJKSGUPXSA-N -1 3 391.813 3.051 20 0 GGADHM CC(C)c1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)no1 ZINC000824343140 608152764 /nfs/dbraw/zinc/15/27/64/608152764.db2.gz YRLGREGVNRMSGO-UHFFFAOYSA-N -1 3 391.391 3.418 20 0 GGADHM CC(C)c1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)no1 ZINC000824343140 608152765 /nfs/dbraw/zinc/15/27/65/608152765.db2.gz YRLGREGVNRMSGO-UHFFFAOYSA-N -1 3 391.391 3.418 20 0 GGADHM CNc1ncc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826098663 608153400 /nfs/dbraw/zinc/15/34/00/608153400.db2.gz LDEBBBKPJXVQGL-UHFFFAOYSA-N -1 3 393.432 3.410 20 0 GGADHM CNc1ncc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826098663 608153401 /nfs/dbraw/zinc/15/34/01/608153401.db2.gz LDEBBBKPJXVQGL-UHFFFAOYSA-N -1 3 393.432 3.410 20 0 GGADHM CC(C)c1ccc(C=CCC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000824347639 608155765 /nfs/dbraw/zinc/15/57/65/608155765.db2.gz IIPXRBJQKZUBBA-ONEGZZNKSA-N -1 3 395.492 3.334 20 0 GGADHM CC(C)c1ccc(C=CCC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000824347639 608155767 /nfs/dbraw/zinc/15/57/67/608155767.db2.gz IIPXRBJQKZUBBA-ONEGZZNKSA-N -1 3 395.492 3.334 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2CCO[C@H]2C)cc1 ZINC000826176468 608157089 /nfs/dbraw/zinc/15/70/89/608157089.db2.gz QPUHHFJMPHEMTO-LRDDRELGSA-N -1 3 395.419 3.031 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2CCO[C@H]2C)cc1 ZINC000826176468 608157091 /nfs/dbraw/zinc/15/70/91/608157091.db2.gz QPUHHFJMPHEMTO-LRDDRELGSA-N -1 3 395.419 3.031 20 0 GGADHM Cc1nc([C@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccc(Cl)cc2)no1 ZINC000826324493 608160732 /nfs/dbraw/zinc/16/07/32/608160732.db2.gz UGUPTZPKICECIA-CQSZACIVSA-N -1 3 387.856 3.152 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000825971308 608164688 /nfs/dbraw/zinc/16/46/88/608164688.db2.gz AWWFOYVQQLEKQJ-UHFFFAOYSA-N -1 3 394.454 3.170 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000825971308 608164690 /nfs/dbraw/zinc/16/46/90/608164690.db2.gz AWWFOYVQQLEKQJ-UHFFFAOYSA-N -1 3 394.454 3.170 20 0 GGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cccc(F)n1 ZINC000826442451 608165201 /nfs/dbraw/zinc/16/52/01/608165201.db2.gz WQJUSIDCJBRJJK-UHFFFAOYSA-N -1 3 380.408 3.059 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCc2cc(Br)ccc21 ZINC000826472347 608169785 /nfs/dbraw/zinc/16/97/85/608169785.db2.gz HRPHZXOGZPJAOW-UHFFFAOYSA-N -1 3 399.252 3.007 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCc2cc(Br)ccc21 ZINC000826472347 608169787 /nfs/dbraw/zinc/16/97/87/608169787.db2.gz HRPHZXOGZPJAOW-UHFFFAOYSA-N -1 3 399.252 3.007 20 0 GGADHM O=S(=O)(c1ccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1)C(F)F ZINC000826495312 608173390 /nfs/dbraw/zinc/17/33/90/608173390.db2.gz KZXQDSMYOYZFIC-UHFFFAOYSA-N -1 3 386.767 3.309 20 0 GGADHM O=S(=O)(c1ccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1)C(F)F ZINC000826495312 608173392 /nfs/dbraw/zinc/17/33/92/608173392.db2.gz KZXQDSMYOYZFIC-UHFFFAOYSA-N -1 3 386.767 3.309 20 0 GGADHM O=C(COC(=O)c1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826416147 608174857 /nfs/dbraw/zinc/17/48/57/608174857.db2.gz KKKICCNLRYTWKG-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM O=C(COC(=O)c1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826416147 608174858 /nfs/dbraw/zinc/17/48/58/608174858.db2.gz KKKICCNLRYTWKG-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM Cc1nsc(N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)n1 ZINC000826339971 608177075 /nfs/dbraw/zinc/17/70/75/608177075.db2.gz BEXQRCNXYFGMAA-UHFFFAOYSA-N -1 3 381.440 3.373 20 0 GGADHM Cc1nsc(N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)n1 ZINC000826339971 608177077 /nfs/dbraw/zinc/17/70/77/608177077.db2.gz BEXQRCNXYFGMAA-UHFFFAOYSA-N -1 3 381.440 3.373 20 0 GGADHM Cc1c2nnc(C(F)(F)F)n2nc(Sc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826243156 608179204 /nfs/dbraw/zinc/17/92/04/608179204.db2.gz WXYZRJVQMCNQDM-UHFFFAOYSA-N -1 3 392.370 3.091 20 0 GGADHM Cc1c2nnc(C(F)(F)F)n2nc(Sc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826243156 608179206 /nfs/dbraw/zinc/17/92/06/608179206.db2.gz WXYZRJVQMCNQDM-UHFFFAOYSA-N -1 3 392.370 3.091 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826401891 608180766 /nfs/dbraw/zinc/18/07/66/608180766.db2.gz IZSDZFXPAZVKQE-FKJILZIQSA-N -1 3 391.416 3.134 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826401891 608180768 /nfs/dbraw/zinc/18/07/68/608180768.db2.gz IZSDZFXPAZVKQE-FKJILZIQSA-N -1 3 391.416 3.134 20 0 GGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2oc1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824724080 608182562 /nfs/dbraw/zinc/18/25/62/608182562.db2.gz YDAJXZAOEXICKX-JTQLQIEISA-N -1 3 380.335 3.030 20 0 GGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2oc1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824724080 608182564 /nfs/dbraw/zinc/18/25/64/608182564.db2.gz YDAJXZAOEXICKX-JTQLQIEISA-N -1 3 380.335 3.030 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2nc1C ZINC000826328583 608185859 /nfs/dbraw/zinc/18/58/59/608185859.db2.gz WIKPIFUYZOPBNY-GFCCVEGCSA-N -1 3 392.394 3.484 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2nc1C ZINC000826328583 608185861 /nfs/dbraw/zinc/18/58/61/608185861.db2.gz WIKPIFUYZOPBNY-GFCCVEGCSA-N -1 3 392.394 3.484 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000824936450 608191380 /nfs/dbraw/zinc/19/13/80/608191380.db2.gz HHZRWZOOWXIEGH-ZIAGYGMSSA-N -1 3 379.468 3.089 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000824936450 608191381 /nfs/dbraw/zinc/19/13/81/608191381.db2.gz HHZRWZOOWXIEGH-ZIAGYGMSSA-N -1 3 379.468 3.089 20 0 GGADHM CC1(C)CCC[C@@H](CC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)C1 ZINC000824803888 608191468 /nfs/dbraw/zinc/19/14/68/608191468.db2.gz YOIRYULNBFYBFN-AWEZNQCLSA-N -1 3 393.495 3.480 20 0 GGADHM CC1(C)CCC[C@@H](CC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)C1 ZINC000824803888 608191469 /nfs/dbraw/zinc/19/14/69/608191469.db2.gz YOIRYULNBFYBFN-AWEZNQCLSA-N -1 3 393.495 3.480 20 0 GGADHM CC[C@H](C)N(OC)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825066601 608193538 /nfs/dbraw/zinc/19/35/38/608193538.db2.gz CGKAIUODTYSKCU-AWEZNQCLSA-N -1 3 381.436 3.248 20 0 GGADHM CC[C@H](C)N(OC)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825066601 608193539 /nfs/dbraw/zinc/19/35/39/608193539.db2.gz CGKAIUODTYSKCU-AWEZNQCLSA-N -1 3 381.436 3.248 20 0 GGADHM O=C1C[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CN1c1c(F)cccc1F ZINC000826479374 608197967 /nfs/dbraw/zinc/19/79/67/608197967.db2.gz XIFXNKFXUAUHHX-SECBINFHSA-N -1 3 390.781 3.016 20 0 GGADHM O=C1C[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CN1c1c(F)cccc1F ZINC000826479374 608197968 /nfs/dbraw/zinc/19/79/68/608197968.db2.gz XIFXNKFXUAUHHX-SECBINFHSA-N -1 3 390.781 3.016 20 0 GGADHM C[C@@]1(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCOC1 ZINC000824829059 608199322 /nfs/dbraw/zinc/19/93/22/608199322.db2.gz CRYJHJZXBFLSQF-HXUWFJFHSA-N -1 3 380.404 3.242 20 0 GGADHM C[C@@]1(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCOC1 ZINC000824829059 608199323 /nfs/dbraw/zinc/19/93/23/608199323.db2.gz CRYJHJZXBFLSQF-HXUWFJFHSA-N -1 3 380.404 3.242 20 0 GGADHM CC(C)CN(Cc1ncn(-c2ccccc2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824261788 608203933 /nfs/dbraw/zinc/20/39/33/608203933.db2.gz QKINSXSSQVXWRJ-UHFFFAOYSA-N -1 3 388.479 3.106 20 0 GGADHM CC(C)CN(Cc1ncn(-c2ccccc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824261788 608203935 /nfs/dbraw/zinc/20/39/35/608203935.db2.gz QKINSXSSQVXWRJ-UHFFFAOYSA-N -1 3 388.479 3.106 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000824377829 608205728 /nfs/dbraw/zinc/20/57/28/608205728.db2.gz OSEHCNFBVFDEJQ-JTQLQIEISA-N -1 3 377.901 3.402 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000824377829 608205730 /nfs/dbraw/zinc/20/57/30/608205730.db2.gz OSEHCNFBVFDEJQ-JTQLQIEISA-N -1 3 377.901 3.402 20 0 GGADHM O=C(NN1CCCCC1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826444816 608206404 /nfs/dbraw/zinc/20/64/04/608206404.db2.gz VVCFQADQNLQNDT-UHFFFAOYSA-N -1 3 398.854 3.443 20 0 GGADHM O=C(NN1CCCCC1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826444816 608206406 /nfs/dbraw/zinc/20/64/06/608206406.db2.gz VVCFQADQNLQNDT-UHFFFAOYSA-N -1 3 398.854 3.443 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CC12CCCCC2 ZINC000826451704 608208051 /nfs/dbraw/zinc/20/80/51/608208051.db2.gz RXPGRUORIQRWPU-CYBMUJFWSA-N -1 3 378.383 3.312 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CC12CCCCC2 ZINC000826451704 608208052 /nfs/dbraw/zinc/20/80/52/608208052.db2.gz RXPGRUORIQRWPU-CYBMUJFWSA-N -1 3 378.383 3.312 20 0 GGADHM Cc1oc(NC(=O)CN2CC=C(c3cccc(C)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000826297782 608209836 /nfs/dbraw/zinc/20/98/36/608209836.db2.gz SDCLECAUUSQUNQ-UHFFFAOYSA-N -1 3 392.463 3.113 20 0 GGADHM Cc1oc(NC(=O)CN2CC=C(c3cccc(C)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000826297782 608209837 /nfs/dbraw/zinc/20/98/37/608209837.db2.gz SDCLECAUUSQUNQ-UHFFFAOYSA-N -1 3 392.463 3.113 20 0 GGADHM COc1cc(Br)cc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826176822 608226901 /nfs/dbraw/zinc/22/69/01/608226901.db2.gz FXGVFMDJZWGZBS-UHFFFAOYSA-N -1 3 390.241 3.129 20 0 GGADHM COc1cc(Br)cc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826176822 608226902 /nfs/dbraw/zinc/22/69/02/608226902.db2.gz FXGVFMDJZWGZBS-UHFFFAOYSA-N -1 3 390.241 3.129 20 0 GGADHM C[C@@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C(=O)N1c1ccccc1 ZINC000824892576 608229652 /nfs/dbraw/zinc/22/96/52/608229652.db2.gz KIJUGWWIRFWVRP-ACJLOTCBSA-N -1 3 385.431 3.021 20 0 GGADHM C[C@@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C(=O)N1c1ccccc1 ZINC000824892576 608229654 /nfs/dbraw/zinc/22/96/54/608229654.db2.gz KIJUGWWIRFWVRP-ACJLOTCBSA-N -1 3 385.431 3.021 20 0 GGADHM Fc1cccc(F)c1N1CC[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826377024 608232651 /nfs/dbraw/zinc/23/26/51/608232651.db2.gz AWEFBSUVCSYSAV-CQSZACIVSA-N -1 3 393.401 3.384 20 0 GGADHM Fc1cccc(F)c1N1CC[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826377024 608232654 /nfs/dbraw/zinc/23/26/54/608232654.db2.gz AWEFBSUVCSYSAV-CQSZACIVSA-N -1 3 393.401 3.384 20 0 GGADHM C[C@@H](CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824385439 608235691 /nfs/dbraw/zinc/23/56/91/608235691.db2.gz SZQPDFWILOAXBM-CQSZACIVSA-N -1 3 399.882 3.284 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(-c3ccccc3)n2C)cc1-c1nnn[n-]1 ZINC000824334503 608235784 /nfs/dbraw/zinc/23/57/84/608235784.db2.gz WBZCJALWGURSRH-UHFFFAOYSA-N -1 3 390.451 3.062 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(-c3ccccc3)n2C)cc1-c1nn[n-]n1 ZINC000824334503 608235786 /nfs/dbraw/zinc/23/57/86/608235786.db2.gz WBZCJALWGURSRH-UHFFFAOYSA-N -1 3 390.451 3.062 20 0 GGADHM c1ccc2c(c1)CC[C@@]21CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000826523703 608235837 /nfs/dbraw/zinc/23/58/37/608235837.db2.gz UQCKRZKJXSPSFV-JOCHJYFZSA-N -1 3 384.443 3.093 20 0 GGADHM c1ccc2c(c1)CC[C@@]21CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000826523703 608235838 /nfs/dbraw/zinc/23/58/38/608235838.db2.gz UQCKRZKJXSPSFV-JOCHJYFZSA-N -1 3 384.443 3.093 20 0 GGADHM COc1ccc(COCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000826206553 608237824 /nfs/dbraw/zinc/23/78/24/608237824.db2.gz AAUYEJGWBIVYDV-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM COc1ccc(COCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000826206553 608237825 /nfs/dbraw/zinc/23/78/25/608237825.db2.gz AAUYEJGWBIVYDV-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826098782 608238179 /nfs/dbraw/zinc/23/81/79/608238179.db2.gz OFDLTWIAHQXHRT-GFCCVEGCSA-N -1 3 397.401 3.301 20 0 GGADHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000826098782 608238181 /nfs/dbraw/zinc/23/81/81/608238181.db2.gz OFDLTWIAHQXHRT-GFCCVEGCSA-N -1 3 397.401 3.301 20 0 GGADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(Cl)cc1 ZINC000826508179 608240494 /nfs/dbraw/zinc/24/04/94/608240494.db2.gz HFHCVVDCQCQFAZ-CQSZACIVSA-N -1 3 394.660 3.428 20 0 GGADHM COc1ccc(CN[C@@H](c2cccc(C)c2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000826202081 608241191 /nfs/dbraw/zinc/24/11/91/608241191.db2.gz NQBNGWCHHYJTIW-NRFANRHFSA-N -1 3 386.459 3.458 20 0 GGADHM COc1ccc(CN[C@@H](c2cccc(C)c2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000826202081 608241193 /nfs/dbraw/zinc/24/11/93/608241193.db2.gz NQBNGWCHHYJTIW-NRFANRHFSA-N -1 3 386.459 3.458 20 0 GGADHM Fc1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(-c2nnn[n-]2)c1 ZINC000826375250 608243660 /nfs/dbraw/zinc/24/36/60/608243660.db2.gz FMTBVPYMCNVSRI-LBPRGKRZSA-N -1 3 394.332 3.077 20 0 GGADHM Fc1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(-c2nn[n-]n2)c1 ZINC000826375250 608243662 /nfs/dbraw/zinc/24/36/62/608243662.db2.gz FMTBVPYMCNVSRI-LBPRGKRZSA-N -1 3 394.332 3.077 20 0 GGADHM CC(C)[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000824215836 608248849 /nfs/dbraw/zinc/24/88/49/608248849.db2.gz MRUJZVIXIXXPQE-FOIQADDNSA-N -1 3 391.475 3.467 20 0 GGADHM CC(C)[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000824215836 608248850 /nfs/dbraw/zinc/24/88/50/608248850.db2.gz MRUJZVIXIXXPQE-FOIQADDNSA-N -1 3 391.475 3.467 20 0 GGADHM COc1ccc2c(c1)CCCCN2C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826212135 608251557 /nfs/dbraw/zinc/25/15/57/608251557.db2.gz HNDULQZUUDQFSC-AWEZNQCLSA-N -1 3 393.447 3.012 20 0 GGADHM COc1ccc2c(c1)CCCCN2C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826212135 608251559 /nfs/dbraw/zinc/25/15/59/608251559.db2.gz HNDULQZUUDQFSC-AWEZNQCLSA-N -1 3 393.447 3.012 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826184017 608252418 /nfs/dbraw/zinc/25/24/18/608252418.db2.gz IGDBXOGPMPCVMP-CLTKARDFSA-N -1 3 375.388 3.113 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826184017 608252420 /nfs/dbraw/zinc/25/24/20/608252420.db2.gz IGDBXOGPMPCVMP-CLTKARDFSA-N -1 3 375.388 3.113 20 0 GGADHM O=C(C=C1CCSCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826400116 608257276 /nfs/dbraw/zinc/25/72/76/608257276.db2.gz PURUMMVRLRMGLK-UHFFFAOYSA-N -1 3 394.460 3.446 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc2sc3ccccc3n12 ZINC000826173381 608260671 /nfs/dbraw/zinc/26/06/71/608260671.db2.gz AZQRHAQJWACRQL-UHFFFAOYSA-N -1 3 395.473 3.425 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc2sc3ccccc3n12 ZINC000826173381 608260673 /nfs/dbraw/zinc/26/06/73/608260673.db2.gz AZQRHAQJWACRQL-UHFFFAOYSA-N -1 3 395.473 3.425 20 0 GGADHM CSc1cc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccn1 ZINC000826230399 608260984 /nfs/dbraw/zinc/26/09/84/608260984.db2.gz RGPIVYNKJQQEAZ-UHFFFAOYSA-N -1 3 399.480 3.093 20 0 GGADHM CSc1cc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccn1 ZINC000826230399 608260985 /nfs/dbraw/zinc/26/09/85/608260985.db2.gz RGPIVYNKJQQEAZ-UHFFFAOYSA-N -1 3 399.480 3.093 20 0 GGADHM C[C@@]1(NC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCOC1 ZINC000824833073 608261111 /nfs/dbraw/zinc/26/11/11/608261111.db2.gz WYZWGTOIKGOUKV-HXUWFJFHSA-N -1 3 394.435 3.350 20 0 GGADHM C[C@@]1(NC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCOC1 ZINC000824833073 608261113 /nfs/dbraw/zinc/26/11/13/608261113.db2.gz WYZWGTOIKGOUKV-HXUWFJFHSA-N -1 3 394.435 3.350 20 0 GGADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)c1C ZINC000499657376 608262007 /nfs/dbraw/zinc/26/20/07/608262007.db2.gz YLZYDTMACRXZLW-UHFFFAOYSA-N -1 3 387.447 3.484 20 0 GGADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)c1C ZINC000499657376 608262010 /nfs/dbraw/zinc/26/20/10/608262010.db2.gz YLZYDTMACRXZLW-UHFFFAOYSA-N -1 3 387.447 3.484 20 0 GGADHM Cc1nc(-c2cc3c(s2)CCN(Cc2ccnc(-c4nnn[n-]4)c2)C3)cs1 ZINC000826322467 608262572 /nfs/dbraw/zinc/26/25/72/608262572.db2.gz NPVWVJNSBWDIGR-UHFFFAOYSA-N -1 3 395.517 3.313 20 0 GGADHM Cc1nc(-c2cc3c(s2)CCN(Cc2ccnc(-c4nn[n-]n4)c2)C3)cs1 ZINC000826322467 608262575 /nfs/dbraw/zinc/26/25/75/608262575.db2.gz NPVWVJNSBWDIGR-UHFFFAOYSA-N -1 3 395.517 3.313 20 0 GGADHM C[C@@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824052331 608265151 /nfs/dbraw/zinc/26/51/51/608265151.db2.gz NFWGETISIYMZGS-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824052331 608265152 /nfs/dbraw/zinc/26/51/52/608265152.db2.gz NFWGETISIYMZGS-MRVPVSSYSA-N -1 3 378.255 3.433 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2[C@H](C)CC[C@H]2CC)cc1-c1nnn[n-]1 ZINC000825538484 608269403 /nfs/dbraw/zinc/26/94/03/608269403.db2.gz HYFLTTXTUKICNJ-DGCLKSJQSA-N -1 3 387.444 3.230 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2[C@H](C)CC[C@H]2CC)cc1-c1nn[n-]n1 ZINC000825538484 608269404 /nfs/dbraw/zinc/26/94/04/608269404.db2.gz HYFLTTXTUKICNJ-DGCLKSJQSA-N -1 3 387.444 3.230 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2CC)cc1-c1nnn[n-]1 ZINC000825538482 608269631 /nfs/dbraw/zinc/26/96/31/608269631.db2.gz HYFLTTXTUKICNJ-AAEUAGOBSA-N -1 3 387.444 3.230 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2CC)cc1-c1nn[n-]n1 ZINC000825538482 608269633 /nfs/dbraw/zinc/26/96/33/608269633.db2.gz HYFLTTXTUKICNJ-AAEUAGOBSA-N -1 3 387.444 3.230 20 0 GGADHM CC[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1OC ZINC000825154811 608272096 /nfs/dbraw/zinc/27/20/96/608272096.db2.gz UFRAULRMDGBFBJ-QGZVFWFLSA-N -1 3 382.420 3.257 20 0 GGADHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826270174 608272726 /nfs/dbraw/zinc/27/27/26/608272726.db2.gz OFCOKPUCFMUDOH-UHFFFAOYSA-N -1 3 388.435 3.025 20 0 GGADHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826270174 608272727 /nfs/dbraw/zinc/27/27/27/608272727.db2.gz OFCOKPUCFMUDOH-UHFFFAOYSA-N -1 3 388.435 3.025 20 0 GGADHM O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826403749 608273071 /nfs/dbraw/zinc/27/30/71/608273071.db2.gz BHCVFLUTYXMAKC-SFHVURJKSA-N -1 3 397.866 3.135 20 0 GGADHM O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826403749 608273072 /nfs/dbraw/zinc/27/30/72/608273072.db2.gz BHCVFLUTYXMAKC-SFHVURJKSA-N -1 3 397.866 3.135 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000826186179 608273807 /nfs/dbraw/zinc/27/38/07/608273807.db2.gz INZKIOASDNJCGC-INIZCTEOSA-N -1 3 379.420 3.022 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000826186179 608273808 /nfs/dbraw/zinc/27/38/08/608273808.db2.gz INZKIOASDNJCGC-INIZCTEOSA-N -1 3 379.420 3.022 20 0 GGADHM COc1cc(CNc2nc(C)ccc2-c2nnn[n-]2)ccc1OCC(F)(F)F ZINC000826179368 608276178 /nfs/dbraw/zinc/27/61/78/608276178.db2.gz LYGIQWVEOQTMSC-UHFFFAOYSA-N -1 3 394.357 3.132 20 0 GGADHM COc1cc(CNc2nc(C)ccc2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000826179368 608276179 /nfs/dbraw/zinc/27/61/79/608276179.db2.gz LYGIQWVEOQTMSC-UHFFFAOYSA-N -1 3 394.357 3.132 20 0 GGADHM Clc1ccccc1[C@@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000826353577 608284123 /nfs/dbraw/zinc/28/41/23/608284123.db2.gz VPOGOQBUEHJWKX-SFHVURJKSA-N -1 3 396.882 3.372 20 0 GGADHM Clc1ccccc1[C@@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000826353577 608284125 /nfs/dbraw/zinc/28/41/25/608284125.db2.gz VPOGOQBUEHJWKX-SFHVURJKSA-N -1 3 396.882 3.372 20 0 GGADHM COc1ccc(-c2nc3c(cccc3Br)n2C)cc1-c1nnn[n-]1 ZINC000826181512 608288309 /nfs/dbraw/zinc/28/83/09/608288309.db2.gz BNMICDWBLXZYLN-UHFFFAOYSA-N -1 3 385.225 3.192 20 0 GGADHM COc1ccc(-c2nc3c(cccc3Br)n2C)cc1-c1nn[n-]n1 ZINC000826181512 608288310 /nfs/dbraw/zinc/28/83/10/608288310.db2.gz BNMICDWBLXZYLN-UHFFFAOYSA-N -1 3 385.225 3.192 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 ZINC000826276212 608291509 /nfs/dbraw/zinc/29/15/09/608291509.db2.gz XSGHPZSADLLTLI-MRXNPFEDSA-N -1 3 395.467 3.248 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 ZINC000826276212 608291511 /nfs/dbraw/zinc/29/15/11/608291511.db2.gz XSGHPZSADLLTLI-MRXNPFEDSA-N -1 3 395.467 3.248 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc(C)c(C)s1 ZINC000825322352 608299044 /nfs/dbraw/zinc/29/90/44/608299044.db2.gz AXENTERGRHYJEV-UHFFFAOYSA-N -1 3 391.522 3.146 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc(C)c(C)s1 ZINC000825322352 608299046 /nfs/dbraw/zinc/29/90/46/608299046.db2.gz AXENTERGRHYJEV-UHFFFAOYSA-N -1 3 391.522 3.146 20 0 GGADHM Cc1cc(S(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)sc1C ZINC000826272186 608301385 /nfs/dbraw/zinc/30/13/85/608301385.db2.gz XRUOBGHKFLPQLU-UHFFFAOYSA-N -1 3 391.522 3.144 20 0 GGADHM Cc1cc(S(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)sc1C ZINC000826272186 608301386 /nfs/dbraw/zinc/30/13/86/608301386.db2.gz XRUOBGHKFLPQLU-UHFFFAOYSA-N -1 3 391.522 3.144 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC(c2nc3ccccc3s2)C1 ZINC000826456341 608301677 /nfs/dbraw/zinc/30/16/77/608301677.db2.gz ZJRAMJIFICOYRW-UHFFFAOYSA-N -1 3 377.433 3.108 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC(c2nc3ccccc3s2)C1 ZINC000826456341 608301678 /nfs/dbraw/zinc/30/16/78/608301678.db2.gz ZJRAMJIFICOYRW-UHFFFAOYSA-N -1 3 377.433 3.108 20 0 GGADHM O=C(CC[C@@H]1CCCCO1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826405626 608305316 /nfs/dbraw/zinc/30/53/16/608305316.db2.gz MXWJGDGKPPFECT-SFHVURJKSA-N -1 3 391.475 3.499 20 0 GGADHM O=C(CC[C@@H]1CCCCO1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826405626 608305318 /nfs/dbraw/zinc/30/53/18/608305318.db2.gz MXWJGDGKPPFECT-SFHVURJKSA-N -1 3 391.475 3.499 20 0 GGADHM COc1ccccc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826218010 608305328 /nfs/dbraw/zinc/30/53/28/608305328.db2.gz LFGZUQCFMLPUGM-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM COc1ccccc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826218010 608305330 /nfs/dbraw/zinc/30/53/30/608305330.db2.gz LFGZUQCFMLPUGM-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000826234923 608308070 /nfs/dbraw/zinc/30/80/70/608308070.db2.gz UNQXMHOILBFWRC-UHFFFAOYSA-N -1 3 383.456 3.067 20 0 GGADHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000826234923 608308072 /nfs/dbraw/zinc/30/80/72/608308072.db2.gz UNQXMHOILBFWRC-UHFFFAOYSA-N -1 3 383.456 3.067 20 0 GGADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824513617 608310244 /nfs/dbraw/zinc/31/02/44/608310244.db2.gz DHMIPJJRAVPUFE-UWVGGRQHSA-N -1 3 378.358 3.136 20 0 GGADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824513617 608310246 /nfs/dbraw/zinc/31/02/46/608310246.db2.gz DHMIPJJRAVPUFE-UWVGGRQHSA-N -1 3 378.358 3.136 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824513784 608310371 /nfs/dbraw/zinc/31/03/71/608310371.db2.gz ILBMJIRJXFOBCH-NXEZZACHSA-N -1 3 378.358 3.136 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824513784 608310372 /nfs/dbraw/zinc/31/03/72/608310372.db2.gz ILBMJIRJXFOBCH-NXEZZACHSA-N -1 3 378.358 3.136 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC(F)(F)F)cc1 ZINC000826170502 608319654 /nfs/dbraw/zinc/31/96/54/608319654.db2.gz CEZSNASRDBADAS-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCC(F)(F)F)cc1 ZINC000826170502 608319655 /nfs/dbraw/zinc/31/96/55/608319655.db2.gz CEZSNASRDBADAS-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)c(Br)c1 ZINC000826170642 608320772 /nfs/dbraw/zinc/32/07/72/608320772.db2.gz JIJZQBOKPOABPA-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)c(Br)c1 ZINC000826170642 608320774 /nfs/dbraw/zinc/32/07/74/608320774.db2.gz JIJZQBOKPOABPA-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1noc(Cc2ccccc2)n1 ZINC000826173718 608322516 /nfs/dbraw/zinc/32/25/16/608322516.db2.gz RCCUKLJZFFPDQT-UHFFFAOYSA-N -1 3 394.460 3.283 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1noc(Cc2ccccc2)n1 ZINC000826173718 608322518 /nfs/dbraw/zinc/32/25/18/608322518.db2.gz RCCUKLJZFFPDQT-UHFFFAOYSA-N -1 3 394.460 3.283 20 0 GGADHM CN(CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825892510 608329297 /nfs/dbraw/zinc/32/92/97/608329297.db2.gz NLHHXYCSHHYTBQ-UHFFFAOYSA-N -1 3 398.470 3.286 20 0 GGADHM CN(CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825892510 608329299 /nfs/dbraw/zinc/32/92/99/608329299.db2.gz NLHHXYCSHHYTBQ-UHFFFAOYSA-N -1 3 398.470 3.286 20 0 GGADHM O=C(CCc1ccccc1O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826409413 608329716 /nfs/dbraw/zinc/32/97/16/608329716.db2.gz XRRMIJHIOXCFQZ-UHFFFAOYSA-N -1 3 399.454 3.488 20 0 GGADHM O=C(CCc1ccccc1O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409413 608329717 /nfs/dbraw/zinc/32/97/17/608329717.db2.gz XRRMIJHIOXCFQZ-UHFFFAOYSA-N -1 3 399.454 3.488 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1OCC(F)F ZINC000826408568 608332339 /nfs/dbraw/zinc/33/23/39/608332339.db2.gz MEQGXEUZCSHXPB-UHFFFAOYSA-N -1 3 391.353 3.221 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1OCC(F)F ZINC000826408568 608332341 /nfs/dbraw/zinc/33/23/41/608332341.db2.gz MEQGXEUZCSHXPB-UHFFFAOYSA-N -1 3 391.353 3.221 20 0 GGADHM C[C@@H](COCc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824442063 608332836 /nfs/dbraw/zinc/33/28/36/608332836.db2.gz TZVJUGLUOVDKJO-HNNXBMFYSA-N -1 3 396.447 3.173 20 0 GGADHM C[C@@H](COCc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824442063 608332838 /nfs/dbraw/zinc/33/28/38/608332838.db2.gz TZVJUGLUOVDKJO-HNNXBMFYSA-N -1 3 396.447 3.173 20 0 GGADHM C[C@H](COCc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824442065 608332917 /nfs/dbraw/zinc/33/29/17/608332917.db2.gz TZVJUGLUOVDKJO-OAHLLOKOSA-N -1 3 396.447 3.173 20 0 GGADHM C[C@H](COCc1ccccc1)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824442065 608332919 /nfs/dbraw/zinc/33/29/19/608332919.db2.gz TZVJUGLUOVDKJO-OAHLLOKOSA-N -1 3 396.447 3.173 20 0 GGADHM COCCc1nc(C)c([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826163520 608333313 /nfs/dbraw/zinc/33/33/13/608333313.db2.gz XYIQQMLNOIXQNJ-YXVBKTCISA-N -1 3 399.476 3.138 20 0 GGADHM COCCc1nc(C)c([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000826163520 608333314 /nfs/dbraw/zinc/33/33/14/608333314.db2.gz XYIQQMLNOIXQNJ-YXVBKTCISA-N -1 3 399.476 3.138 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccccc1COC(C)(C)C ZINC000826174303 608340679 /nfs/dbraw/zinc/34/06/79/608340679.db2.gz QYYRYYIBEOHEPO-UHFFFAOYSA-N -1 3 382.420 3.410 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccccc1COC(C)(C)C ZINC000826174303 608340681 /nfs/dbraw/zinc/34/06/81/608340681.db2.gz QYYRYYIBEOHEPO-UHFFFAOYSA-N -1 3 382.420 3.410 20 0 GGADHM CCN(C(=O)c1cccc(OC)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385318 608341869 /nfs/dbraw/zinc/34/18/69/608341869.db2.gz CCLOJEQUTOAMJA-UHFFFAOYSA-N -1 3 375.791 3.335 20 0 GGADHM CCN(C(=O)c1cccc(OC)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385318 608341871 /nfs/dbraw/zinc/34/18/71/608341871.db2.gz CCLOJEQUTOAMJA-UHFFFAOYSA-N -1 3 375.791 3.335 20 0 GGADHM CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362526 608343205 /nfs/dbraw/zinc/34/32/05/608343205.db2.gz NRZSRXIHZBQMKS-JTQLQIEISA-N -1 3 387.875 3.027 20 0 GGADHM CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362526 608343207 /nfs/dbraw/zinc/34/32/07/608343207.db2.gz NRZSRXIHZBQMKS-JTQLQIEISA-N -1 3 387.875 3.027 20 0 GGADHM CCN(C(=O)[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367523 608343597 /nfs/dbraw/zinc/34/35/97/608343597.db2.gz RUQJRTNWJHEBOV-QGZVFWFLSA-N -1 3 383.839 3.187 20 0 GGADHM CCN(C(=O)[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367523 608343599 /nfs/dbraw/zinc/34/35/99/608343599.db2.gz RUQJRTNWJHEBOV-QGZVFWFLSA-N -1 3 383.839 3.187 20 0 GGADHM CCN(C(=O)C[C@@H]1CSCCS1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371021 608343988 /nfs/dbraw/zinc/34/39/88/608343988.db2.gz ARUFLPMMZJMUGE-LLVKDONJSA-N -1 3 383.930 3.112 20 0 GGADHM CCN(C(=O)C[C@@H]1CSCCS1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371021 608343989 /nfs/dbraw/zinc/34/39/89/608343989.db2.gz ARUFLPMMZJMUGE-LLVKDONJSA-N -1 3 383.930 3.112 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccccc1C(C)C ZINC000826172059 608345496 /nfs/dbraw/zinc/34/54/96/608345496.db2.gz LKWMBDWZDSHYKR-UHFFFAOYSA-N -1 3 382.420 3.121 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccccc1C(C)C ZINC000826172059 608345498 /nfs/dbraw/zinc/34/54/98/608345498.db2.gz LKWMBDWZDSHYKR-UHFFFAOYSA-N -1 3 382.420 3.121 20 0 GGADHM CCc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825704270 608346595 /nfs/dbraw/zinc/34/65/95/608346595.db2.gz FOTXRDSEHWNILP-UHFFFAOYSA-N -1 3 394.431 3.144 20 0 GGADHM CCc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825704270 608346597 /nfs/dbraw/zinc/34/65/97/608346597.db2.gz FOTXRDSEHWNILP-UHFFFAOYSA-N -1 3 394.431 3.144 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000826171205 608347011 /nfs/dbraw/zinc/34/70/11/608347011.db2.gz GZDQHVFYNZLZSN-UHFFFAOYSA-N -1 3 394.431 3.198 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000826171205 608347012 /nfs/dbraw/zinc/34/70/12/608347012.db2.gz GZDQHVFYNZLZSN-UHFFFAOYSA-N -1 3 394.431 3.198 20 0 GGADHM CCN(C(=O)c1cccc(OC)c1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385526 608347204 /nfs/dbraw/zinc/34/72/04/608347204.db2.gz JIPVRPMHDUPQDE-UHFFFAOYSA-N -1 3 387.827 3.204 20 0 GGADHM CCN(C(=O)c1cccc(OC)c1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385526 608347206 /nfs/dbraw/zinc/34/72/06/608347206.db2.gz JIPVRPMHDUPQDE-UHFFFAOYSA-N -1 3 387.827 3.204 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000826172056 608348048 /nfs/dbraw/zinc/34/80/48/608348048.db2.gz LJERIYRMZSWQJS-UHFFFAOYSA-N -1 3 395.350 3.026 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000826172056 608348050 /nfs/dbraw/zinc/34/80/50/608348050.db2.gz LJERIYRMZSWQJS-UHFFFAOYSA-N -1 3 395.350 3.026 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccn1Cc1cccs1 ZINC000826172385 608349633 /nfs/dbraw/zinc/34/96/33/608349633.db2.gz CKKSRDCVDOTMST-UHFFFAOYSA-N -1 3 395.444 3.144 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccn1Cc1cccs1 ZINC000826172385 608349635 /nfs/dbraw/zinc/34/96/35/608349635.db2.gz CKKSRDCVDOTMST-UHFFFAOYSA-N -1 3 395.444 3.144 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCCC(=O)c1ccccc1 ZINC000826171829 608349932 /nfs/dbraw/zinc/34/99/32/608349932.db2.gz ZYUSALNPJDOHNM-UHFFFAOYSA-N -1 3 394.431 3.362 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCCC(=O)c1ccccc1 ZINC000826171829 608349934 /nfs/dbraw/zinc/34/99/34/608349934.db2.gz ZYUSALNPJDOHNM-UHFFFAOYSA-N -1 3 394.431 3.362 20 0 GGADHM CC(C)(C)OCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824119369 608350919 /nfs/dbraw/zinc/35/09/19/608350919.db2.gz GURVLYDTTZOQQB-UHFFFAOYSA-N -1 3 394.479 3.148 20 0 GGADHM CC(C)(C)OCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824119369 608350921 /nfs/dbraw/zinc/35/09/21/608350921.db2.gz GURVLYDTTZOQQB-UHFFFAOYSA-N -1 3 394.479 3.148 20 0 GGADHM C[C@H]1CN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCS1 ZINC000824975337 608356021 /nfs/dbraw/zinc/35/60/21/608356021.db2.gz JVBWFKMAUPDHNJ-AWEZNQCLSA-N -1 3 394.504 3.181 20 0 GGADHM C[C@H]1CN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCS1 ZINC000824975337 608356023 /nfs/dbraw/zinc/35/60/23/608356023.db2.gz JVBWFKMAUPDHNJ-AWEZNQCLSA-N -1 3 394.504 3.181 20 0 GGADHM CN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000825820363 608356485 /nfs/dbraw/zinc/35/64/85/608356485.db2.gz BQCFZGGIPGFNNT-MRXNPFEDSA-N -1 3 394.504 3.181 20 0 GGADHM CN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000825820363 608356487 /nfs/dbraw/zinc/35/64/87/608356487.db2.gz BQCFZGGIPGFNNT-MRXNPFEDSA-N -1 3 394.504 3.181 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826440834 608359236 /nfs/dbraw/zinc/35/92/36/608359236.db2.gz CGINPGYCMUYXOO-GOSISDBHSA-N -1 3 388.475 3.475 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826440834 608359237 /nfs/dbraw/zinc/35/92/37/608359237.db2.gz CGINPGYCMUYXOO-GOSISDBHSA-N -1 3 388.475 3.475 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(C(F)(F)F)c1F ZINC000826172842 608364127 /nfs/dbraw/zinc/36/41/27/608364127.db2.gz ZZWFWJZEBRQCAM-UHFFFAOYSA-N -1 3 396.300 3.390 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(C(F)(F)F)c1F ZINC000826172842 608364128 /nfs/dbraw/zinc/36/41/28/608364128.db2.gz ZZWFWJZEBRQCAM-UHFFFAOYSA-N -1 3 396.300 3.390 20 0 GGADHM CN(CCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CC(F)(F)F ZINC000825918669 608367845 /nfs/dbraw/zinc/36/78/45/608367845.db2.gz IXLVVEBUBGMSAJ-UHFFFAOYSA-N -1 3 382.312 3.182 20 0 GGADHM CN(CCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CC(F)(F)F ZINC000825918669 608367847 /nfs/dbraw/zinc/36/78/47/608367847.db2.gz IXLVVEBUBGMSAJ-UHFFFAOYSA-N -1 3 382.312 3.182 20 0 GGADHM C[C@@H](O)c1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000824706099 608372501 /nfs/dbraw/zinc/37/25/01/608372501.db2.gz GOEBQBVAYGYIQW-LLVKDONJSA-N -1 3 380.839 3.156 20 0 GGADHM C[C@@H](O)c1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000824706099 608372503 /nfs/dbraw/zinc/37/25/03/608372503.db2.gz GOEBQBVAYGYIQW-LLVKDONJSA-N -1 3 380.839 3.156 20 0 GGADHM FC(F)(F)Cn1ccnc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826367686 608378169 /nfs/dbraw/zinc/37/81/69/608378169.db2.gz KEQHNOPGKFRNSL-UHFFFAOYSA-N -1 3 391.279 3.256 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc([C@H]2CCCOC2)c1 ZINC000826466299 608379730 /nfs/dbraw/zinc/37/97/30/608379730.db2.gz XBZIXMROUPNVDW-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc([C@H]2CCCOC2)c1 ZINC000826466299 608379732 /nfs/dbraw/zinc/37/97/32/608379732.db2.gz XBZIXMROUPNVDW-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM CC(C)(C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)C1CCCCC1 ZINC000824064783 608380169 /nfs/dbraw/zinc/38/01/69/608380169.db2.gz MLRMZZZNRRUULX-UHFFFAOYSA-N -1 3 377.470 3.016 20 0 GGADHM CC(C)(C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)C1CCCCC1 ZINC000824064783 608380171 /nfs/dbraw/zinc/38/01/71/608380171.db2.gz MLRMZZZNRRUULX-UHFFFAOYSA-N -1 3 377.470 3.016 20 0 GGADHM C[C@H](OC(=O)C(C)(C)C1CCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824706030 608380719 /nfs/dbraw/zinc/38/07/19/608380719.db2.gz FYHZKNSJBJPNBT-ZDUSSCGKSA-N -1 3 385.468 3.343 20 0 GGADHM C[C@H](OC(=O)C(C)(C)C1CCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824706030 608380720 /nfs/dbraw/zinc/38/07/20/608380720.db2.gz FYHZKNSJBJPNBT-ZDUSSCGKSA-N -1 3 385.468 3.343 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823967827 608381648 /nfs/dbraw/zinc/38/16/48/608381648.db2.gz QCHMNTMJYUWZMG-GFCCVEGCSA-N -1 3 381.461 3.115 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823967827 608381649 /nfs/dbraw/zinc/38/16/49/608381649.db2.gz QCHMNTMJYUWZMG-GFCCVEGCSA-N -1 3 381.461 3.115 20 0 GGADHM O=C(NCc1ccccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826443639 608388897 /nfs/dbraw/zinc/38/88/97/608388897.db2.gz XJNAJYBISGGWEI-UHFFFAOYSA-N -1 3 378.411 3.005 20 0 GGADHM O=C(NCc1ccccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826443639 608388899 /nfs/dbraw/zinc/38/88/99/608388899.db2.gz XJNAJYBISGGWEI-UHFFFAOYSA-N -1 3 378.411 3.005 20 0 GGADHM O=C1[C@H](Nc2c(F)cc(Cl)cc2F)CCN1c1sccc1-c1nnn[n-]1 ZINC000826477619 608389752 /nfs/dbraw/zinc/38/97/52/608389752.db2.gz HRMXNVXPQHLLJF-LLVKDONJSA-N -1 3 396.810 3.077 20 0 GGADHM O=C1[C@H](Nc2c(F)cc(Cl)cc2F)CCN1c1sccc1-c1nn[n-]n1 ZINC000826477619 608389754 /nfs/dbraw/zinc/38/97/54/608389754.db2.gz HRMXNVXPQHLLJF-LLVKDONJSA-N -1 3 396.810 3.077 20 0 GGADHM O=C(N[C@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826432638 608392688 /nfs/dbraw/zinc/39/26/88/608392688.db2.gz HBTPXSKEYOHENB-FQEVSTJZSA-N -1 3 386.459 3.353 20 0 GGADHM O=C(N[C@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826432638 608392691 /nfs/dbraw/zinc/39/26/91/608392691.db2.gz HBTPXSKEYOHENB-FQEVSTJZSA-N -1 3 386.459 3.353 20 0 GGADHM O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826483197 608394539 /nfs/dbraw/zinc/39/45/39/608394539.db2.gz FBOHRWGHRGWAMN-UHFFFAOYSA-N -1 3 392.177 3.109 20 0 GGADHM O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826483197 608394541 /nfs/dbraw/zinc/39/45/41/608394541.db2.gz FBOHRWGHRGWAMN-UHFFFAOYSA-N -1 3 392.177 3.109 20 0 GGADHM O=C(NCCCOC1CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826437160 608402497 /nfs/dbraw/zinc/40/24/97/608402497.db2.gz YWVSZAFYBYBQKW-UHFFFAOYSA-N -1 3 396.495 3.015 20 0 GGADHM O=C(NCCCOC1CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826437160 608402498 /nfs/dbraw/zinc/40/24/98/608402498.db2.gz YWVSZAFYBYBQKW-UHFFFAOYSA-N -1 3 396.495 3.015 20 0 GGADHM c1ccc(-c2cncnc2NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826518874 608407301 /nfs/dbraw/zinc/40/73/01/608407301.db2.gz ATKWXTZUEGZGJP-UHFFFAOYSA-N -1 3 398.474 3.405 20 0 GGADHM c1ccc(-c2cncnc2NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826518874 608407303 /nfs/dbraw/zinc/40/73/03/608407303.db2.gz ATKWXTZUEGZGJP-UHFFFAOYSA-N -1 3 398.474 3.405 20 0 GGADHM C[C@]1(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCCc2ccccc21 ZINC000824822734 608418274 /nfs/dbraw/zinc/41/82/74/608418274.db2.gz HCXRVUUQHSKIID-OAQYLSRUSA-N -1 3 394.454 3.099 20 0 GGADHM C[C@]1(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCCc2ccccc21 ZINC000824822734 608418276 /nfs/dbraw/zinc/41/82/76/608418276.db2.gz HCXRVUUQHSKIID-OAQYLSRUSA-N -1 3 394.454 3.099 20 0 GGADHM O=C(NCc1ccc(Cl)o1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826442019 608418926 /nfs/dbraw/zinc/41/89/26/608418926.db2.gz GARZYARLBNRYDR-UHFFFAOYSA-N -1 3 384.827 3.112 20 0 GGADHM O=C(NCc1ccc(Cl)o1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826442019 608418927 /nfs/dbraw/zinc/41/89/27/608418927.db2.gz GARZYARLBNRYDR-UHFFFAOYSA-N -1 3 384.827 3.112 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000826341271 608426672 /nfs/dbraw/zinc/42/66/72/608426672.db2.gz BWPQGWOAYHTADL-UWVGGRQHSA-N -1 3 390.394 3.033 20 0 GGADHM FC(F)(F)c1cccnc1-n1ccc(NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000826369145 608428248 /nfs/dbraw/zinc/42/82/48/608428248.db2.gz OWLXAAGFZMVPCI-UHFFFAOYSA-N -1 3 392.370 3.140 20 0 GGADHM FC(F)(F)c1cccnc1-n1ccc(NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000826369145 608428249 /nfs/dbraw/zinc/42/82/49/608428249.db2.gz OWLXAAGFZMVPCI-UHFFFAOYSA-N -1 3 392.370 3.140 20 0 GGADHM COc1ccc(C)cc1[C@H](C)NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826190214 608428379 /nfs/dbraw/zinc/42/83/79/608428379.db2.gz UCVDABHHGGLPIY-ZDUSSCGKSA-N -1 3 391.435 3.085 20 0 GGADHM COc1ccc(C)cc1[C@H](C)NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826190214 608428381 /nfs/dbraw/zinc/42/83/81/608428381.db2.gz UCVDABHHGGLPIY-ZDUSSCGKSA-N -1 3 391.435 3.085 20 0 GGADHM Cc1cc(Br)cc2c1CN(C(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826256533 608430689 /nfs/dbraw/zinc/43/06/89/608430689.db2.gz OIOUHQRYZWHKFP-UHFFFAOYSA-N -1 3 398.264 3.136 20 0 GGADHM Cc1cc(Br)cc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826256533 608430691 /nfs/dbraw/zinc/43/06/91/608430691.db2.gz OIOUHQRYZWHKFP-UHFFFAOYSA-N -1 3 398.264 3.136 20 0 GGADHM CCc1c(Cl)nc(C)nc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825687924 608441545 /nfs/dbraw/zinc/44/15/45/608441545.db2.gz OBYFUOHPPDBYQG-UHFFFAOYSA-N -1 3 381.871 3.475 20 0 GGADHM CCc1c(Cl)nc(C)nc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825687924 608441546 /nfs/dbraw/zinc/44/15/46/608441546.db2.gz OBYFUOHPPDBYQG-UHFFFAOYSA-N -1 3 381.871 3.475 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826187424 608443086 /nfs/dbraw/zinc/44/30/86/608443086.db2.gz PJFGOBRKKHLMHC-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM COc1ccc(C(=O)CCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826187424 608443087 /nfs/dbraw/zinc/44/30/87/608443087.db2.gz PJFGOBRKKHLMHC-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM O=C(Cn1ccc2ccc(Cl)cc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826424473 608445119 /nfs/dbraw/zinc/44/51/19/608445119.db2.gz NPRBLWONCKNTHY-UHFFFAOYSA-N -1 3 385.786 3.357 20 0 GGADHM O=C(Cn1ccc2ccc(Cl)cc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826424473 608445121 /nfs/dbraw/zinc/44/51/21/608445121.db2.gz NPRBLWONCKNTHY-UHFFFAOYSA-N -1 3 385.786 3.357 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1SCCc2sccc21 ZINC000826466386 608450389 /nfs/dbraw/zinc/45/03/89/608450389.db2.gz ZTHXFQFWPRHRFK-AWEZNQCLSA-N -1 3 376.438 3.141 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1SCCc2sccc21 ZINC000826466386 608450391 /nfs/dbraw/zinc/45/03/91/608450391.db2.gz ZTHXFQFWPRHRFK-AWEZNQCLSA-N -1 3 376.438 3.141 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1SCCc2sccc21 ZINC000826466387 608450411 /nfs/dbraw/zinc/45/04/11/608450411.db2.gz ZTHXFQFWPRHRFK-CQSZACIVSA-N -1 3 376.438 3.141 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1SCCc2sccc21 ZINC000826466387 608450413 /nfs/dbraw/zinc/45/04/13/608450413.db2.gz ZTHXFQFWPRHRFK-CQSZACIVSA-N -1 3 376.438 3.141 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c(C)nn1 ZINC000826260427 608452103 /nfs/dbraw/zinc/45/21/03/608452103.db2.gz NRPCDRQLWRJRPP-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C)nn1 ZINC000826260427 608452104 /nfs/dbraw/zinc/45/21/04/608452104.db2.gz NRPCDRQLWRJRPP-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM COc1ccc2cccc(CC(=O)OCc3cccc(-c4nnn[n-]4)c3F)c2c1 ZINC000826213542 608455021 /nfs/dbraw/zinc/45/50/21/608455021.db2.gz AQHVQCXDUXOERB-UHFFFAOYSA-N -1 3 392.390 3.454 20 0 GGADHM COc1ccc2cccc(CC(=O)OCc3cccc(-c4nn[n-]n4)c3F)c2c1 ZINC000826213542 608455022 /nfs/dbraw/zinc/45/50/22/608455022.db2.gz AQHVQCXDUXOERB-UHFFFAOYSA-N -1 3 392.390 3.454 20 0 GGADHM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824935368 608465566 /nfs/dbraw/zinc/46/55/66/608465566.db2.gz AHKOQYRJOPIDMY-GUXCAODWSA-N -1 3 394.523 3.039 20 0 GGADHM C[C@H](NC(=O)c1ccccc1OC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824522034 608468406 /nfs/dbraw/zinc/46/84/06/608468406.db2.gz PLPYJWIQTNERBD-JTQLQIEISA-N -1 3 377.326 3.256 20 0 GGADHM C[C@H](NC(=O)c1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824522034 608468407 /nfs/dbraw/zinc/46/84/07/608468407.db2.gz PLPYJWIQTNERBD-JTQLQIEISA-N -1 3 377.326 3.256 20 0 GGADHM Cc1sc2nc([C@@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)nc(N)c2c1C ZINC000826350491 608469500 /nfs/dbraw/zinc/46/95/00/608469500.db2.gz YPIHONDDFFASBR-WDEREUQCSA-N -1 3 394.508 3.482 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000824324756 608473283 /nfs/dbraw/zinc/47/32/83/608473283.db2.gz UNJADFYURLQHDR-GFCCVEGCSA-N -1 3 391.435 3.214 20 0 GGADHM Fc1cccc2c1CN(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826377674 608476133 /nfs/dbraw/zinc/47/61/33/608476133.db2.gz APFVYSAPHMLAFG-UHFFFAOYSA-N -1 3 388.859 3.414 20 0 GGADHM Fc1cccc2c1CN(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826377674 608476134 /nfs/dbraw/zinc/47/61/34/608476134.db2.gz APFVYSAPHMLAFG-UHFFFAOYSA-N -1 3 388.859 3.414 20 0 GGADHM CSc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccn1 ZINC000826230115 608476775 /nfs/dbraw/zinc/47/67/75/608476775.db2.gz FAFQFVMTWXUCPN-UHFFFAOYSA-N -1 3 381.465 3.180 20 0 GGADHM CSc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccn1 ZINC000826230115 608476776 /nfs/dbraw/zinc/47/67/76/608476776.db2.gz FAFQFVMTWXUCPN-UHFFFAOYSA-N -1 3 381.465 3.180 20 0 GGADHM Cc1ccc(F)c(OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826290043 608477237 /nfs/dbraw/zinc/47/72/37/608477237.db2.gz XRPJQPQAYOQWPH-UHFFFAOYSA-N -1 3 393.422 3.009 20 0 GGADHM Cc1ccc(F)c(OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826290043 608477238 /nfs/dbraw/zinc/47/72/38/608477238.db2.gz XRPJQPQAYOQWPH-UHFFFAOYSA-N -1 3 393.422 3.009 20 0 GGADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824928878 608477867 /nfs/dbraw/zinc/47/78/67/608477867.db2.gz VPVMNHYGLTZREA-BEFAXECRSA-N -1 3 381.480 3.078 20 0 GGADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824928878 608477869 /nfs/dbraw/zinc/47/78/69/608477869.db2.gz VPVMNHYGLTZREA-BEFAXECRSA-N -1 3 381.480 3.078 20 0 GGADHM CSC(C)(C)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826225322 608478039 /nfs/dbraw/zinc/47/80/39/608478039.db2.gz YXPZTWWAOCUVPT-UHFFFAOYSA-N -1 3 385.449 3.352 20 0 GGADHM CSC(C)(C)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826225322 608478041 /nfs/dbraw/zinc/47/80/41/608478041.db2.gz YXPZTWWAOCUVPT-UHFFFAOYSA-N -1 3 385.449 3.352 20 0 GGADHM O=C([C@@H]1Cc2ccccc2S1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398666 608479293 /nfs/dbraw/zinc/47/92/93/608479293.db2.gz BJGRJOBBUCOJAX-IBGZPJMESA-N -1 3 389.484 3.199 20 0 GGADHM O=C([C@@H]1Cc2ccccc2S1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398666 608479295 /nfs/dbraw/zinc/47/92/95/608479295.db2.gz BJGRJOBBUCOJAX-IBGZPJMESA-N -1 3 389.484 3.199 20 0 GGADHM COc1cc(Cl)ccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826180171 608480161 /nfs/dbraw/zinc/48/01/61/608480161.db2.gz VJTYXSUQDOUBPT-UHFFFAOYSA-N -1 3 395.850 3.458 20 0 GGADHM COc1cc(Cl)ccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826180171 608480163 /nfs/dbraw/zinc/48/01/63/608480163.db2.gz VJTYXSUQDOUBPT-UHFFFAOYSA-N -1 3 395.850 3.458 20 0 GGADHM COc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826191754 608480528 /nfs/dbraw/zinc/48/05/28/608480528.db2.gz OYAWAJZMYJPEPF-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM COc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826191754 608480529 /nfs/dbraw/zinc/48/05/29/608480529.db2.gz OYAWAJZMYJPEPF-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM O=C(C=Cc1ccc(Cl)nc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826400323 608483608 /nfs/dbraw/zinc/48/36/08/608483608.db2.gz VSYFTRWQCMLYRV-WAPJZHGLSA-N -1 3 392.850 3.244 20 0 GGADHM O=C(C=Cc1ccc(Cl)nc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826400323 608483609 /nfs/dbraw/zinc/48/36/09/608483609.db2.gz VSYFTRWQCMLYRV-WAPJZHGLSA-N -1 3 392.850 3.244 20 0 GGADHM O=C([C@H]1C[C@]12CCc1ccccc12)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398067 608486718 /nfs/dbraw/zinc/48/67/18/608486718.db2.gz PLEWPXIEZQNMBK-QPPBQGQZSA-N -1 3 397.482 3.387 20 0 GGADHM O=C([C@H]1C[C@]12CCc1ccccc12)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398067 608486720 /nfs/dbraw/zinc/48/67/20/608486720.db2.gz PLEWPXIEZQNMBK-QPPBQGQZSA-N -1 3 397.482 3.387 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000826425673 608487224 /nfs/dbraw/zinc/48/72/24/608487224.db2.gz ODOZOYZSZRBREJ-UHFFFAOYSA-N -1 3 389.434 3.353 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000826425673 608487225 /nfs/dbraw/zinc/48/72/25/608487225.db2.gz ODOZOYZSZRBREJ-UHFFFAOYSA-N -1 3 389.434 3.353 20 0 GGADHM c1nn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1-c1ccccc1 ZINC000823868258 608488073 /nfs/dbraw/zinc/48/80/73/608488073.db2.gz SQZKREUFRCLXJI-UHFFFAOYSA-N -1 3 383.459 3.477 20 0 GGADHM CC(C)(C)c1nc(=S)n(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)[nH]1 ZINC000824141213 608488095 /nfs/dbraw/zinc/48/80/95/608488095.db2.gz FASUWRKQSPTILP-UHFFFAOYSA-N -1 3 396.524 3.165 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826227336 608491596 /nfs/dbraw/zinc/49/15/96/608491596.db2.gz PIKYMDDLTFKLCG-ROUUACIJSA-N -1 3 398.536 3.340 20 0 GGADHM CS[C@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826227336 608491598 /nfs/dbraw/zinc/49/15/98/608491598.db2.gz PIKYMDDLTFKLCG-ROUUACIJSA-N -1 3 398.536 3.340 20 0 GGADHM CC[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccncc1 ZINC000825133560 608491770 /nfs/dbraw/zinc/49/17/70/608491770.db2.gz NTHMINARWMXSGQ-LJQANCHMSA-N -1 3 389.463 3.212 20 0 GGADHM CC[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccncc1 ZINC000825133560 608491771 /nfs/dbraw/zinc/49/17/71/608491771.db2.gz NTHMINARWMXSGQ-LJQANCHMSA-N -1 3 389.463 3.212 20 0 GGADHM Cc1ccccc1-n1nccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826305862 608500605 /nfs/dbraw/zinc/50/06/05/608500605.db2.gz KEDPPJMBEQZNSI-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1ccccc1-n1nccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826305862 608500607 /nfs/dbraw/zinc/50/06/07/608500607.db2.gz KEDPPJMBEQZNSI-CQSZACIVSA-N -1 3 388.435 3.244 20 0 GGADHM CC(C)(CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000824157789 608527613 /nfs/dbraw/zinc/52/76/13/608527613.db2.gz MMICMUNDJKMZJP-UHFFFAOYSA-N -1 3 387.900 3.179 20 0 GGADHM CC(C)(CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000824157789 608527616 /nfs/dbraw/zinc/52/76/16/608527616.db2.gz MMICMUNDJKMZJP-UHFFFAOYSA-N -1 3 387.900 3.179 20 0 GGADHM CC(C)(NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(F)c1 ZINC000824168033 608534796 /nfs/dbraw/zinc/53/47/96/608534796.db2.gz WZCWXDGAXLUYDM-UHFFFAOYSA-N -1 3 379.399 3.081 20 0 GGADHM CC(C)(NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(F)c1 ZINC000824168033 608534798 /nfs/dbraw/zinc/53/47/98/608534798.db2.gz WZCWXDGAXLUYDM-UHFFFAOYSA-N -1 3 379.399 3.081 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000825139975 608536320 /nfs/dbraw/zinc/53/63/20/608536320.db2.gz HWQYQONJDBOOQL-IRXDYDNUSA-N -1 3 387.390 3.100 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000825139975 608536321 /nfs/dbraw/zinc/53/63/21/608536321.db2.gz HWQYQONJDBOOQL-IRXDYDNUSA-N -1 3 387.390 3.100 20 0 GGADHM CC[C@@H](CSC)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825125247 608536377 /nfs/dbraw/zinc/53/63/77/608536377.db2.gz BOYVHQXWTTYREV-INIZCTEOSA-N -1 3 396.520 3.475 20 0 GGADHM CC[C@@H](CSC)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825125247 608536378 /nfs/dbraw/zinc/53/63/78/608536378.db2.gz BOYVHQXWTTYREV-INIZCTEOSA-N -1 3 396.520 3.475 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc2c1CN(c1ccccn1)C2 ZINC000826184260 608542088 /nfs/dbraw/zinc/54/20/88/608542088.db2.gz QIGSKADQVRZERA-UHFFFAOYSA-N -1 3 399.458 3.403 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000826456056 608544866 /nfs/dbraw/zinc/54/48/66/608544866.db2.gz OLKIPQJLMJWOTI-UHFFFAOYSA-N -1 3 396.426 3.219 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000826456056 608544867 /nfs/dbraw/zinc/54/48/67/608544867.db2.gz OLKIPQJLMJWOTI-UHFFFAOYSA-N -1 3 396.426 3.219 20 0 GGADHM Cc1cc(NC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)nn1C ZINC000826269909 608549235 /nfs/dbraw/zinc/54/92/35/608549235.db2.gz BILAFEBNKFBHCS-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM Cc1cc(NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nn1C ZINC000826269909 608549239 /nfs/dbraw/zinc/54/92/39/608549239.db2.gz BILAFEBNKFBHCS-UHFFFAOYSA-N -1 3 390.407 3.345 20 0 GGADHM CN1C(=O)C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826011032 608553507 /nfs/dbraw/zinc/55/35/07/608553507.db2.gz UPLDTHYKCZQSRP-WMLDXEAASA-N -1 3 386.818 3.043 20 0 GGADHM CN1C(=O)C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826011032 608553509 /nfs/dbraw/zinc/55/35/09/608553509.db2.gz UPLDTHYKCZQSRP-WMLDXEAASA-N -1 3 386.818 3.043 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000826341818 608559545 /nfs/dbraw/zinc/55/95/45/608559545.db2.gz QWXFOGBEMYEVEL-NXEZZACHSA-N -1 3 390.394 3.033 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(F)c2F)c(-c2nn[n-]n2)c1C ZINC000826341818 608559547 /nfs/dbraw/zinc/55/95/47/608559547.db2.gz QWXFOGBEMYEVEL-NXEZZACHSA-N -1 3 390.394 3.033 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)[C@@H](C)CO1 ZINC000824985610 608561988 /nfs/dbraw/zinc/56/19/88/608561988.db2.gz YJIFEDASEUJJNM-JKSUJKDBSA-N -1 3 379.464 3.055 20 0 GGADHM CO[C@@H]1CCC[C@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826146221 608568807 /nfs/dbraw/zinc/56/88/07/608568807.db2.gz RVIRKMPLEKPQEG-QFBILLFUSA-N -1 3 392.463 3.155 20 0 GGADHM O=C(Cc1cccc2ccccc21)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826423428 608572322 /nfs/dbraw/zinc/57/23/22/608572322.db2.gz OKICDYWCNKTXFF-UHFFFAOYSA-N -1 3 384.443 3.475 20 0 GGADHM O=C(Cc1cccc2ccccc21)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826423428 608572323 /nfs/dbraw/zinc/57/23/23/608572323.db2.gz OKICDYWCNKTXFF-UHFFFAOYSA-N -1 3 384.443 3.475 20 0 GGADHM COc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(OC)cc1Cl ZINC000826180735 608573363 /nfs/dbraw/zinc/57/33/63/608573363.db2.gz UUHCQTRJHNBXMH-UHFFFAOYSA-N -1 3 394.218 3.443 20 0 GGADHM COc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(OC)cc1Cl ZINC000826180735 608573365 /nfs/dbraw/zinc/57/33/65/608573365.db2.gz UUHCQTRJHNBXMH-UHFFFAOYSA-N -1 3 394.218 3.443 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000537164521 608580329 /nfs/dbraw/zinc/58/03/29/608580329.db2.gz JJLBNWSGEFLFKP-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000537164521 608580331 /nfs/dbraw/zinc/58/03/31/608580331.db2.gz JJLBNWSGEFLFKP-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM C[C@@H](OC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715694 608587614 /nfs/dbraw/zinc/58/76/14/608587614.db2.gz UGVZDXKYBXZGCF-KUHUBIRLSA-N -1 3 395.438 3.275 20 0 GGADHM C[C@@H](OC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715694 608587616 /nfs/dbraw/zinc/58/76/16/608587616.db2.gz UGVZDXKYBXZGCF-KUHUBIRLSA-N -1 3 395.438 3.275 20 0 GGADHM Cc1c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cccc1N(C)C ZINC000826241334 608592459 /nfs/dbraw/zinc/59/24/59/608592459.db2.gz ZTEYSTZRCHHWJY-UHFFFAOYSA-N -1 3 394.479 3.429 20 0 GGADHM Cc1c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cccc1N(C)C ZINC000826241334 608592461 /nfs/dbraw/zinc/59/24/61/608592461.db2.gz ZTEYSTZRCHHWJY-UHFFFAOYSA-N -1 3 394.479 3.429 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826421922 608592470 /nfs/dbraw/zinc/59/24/70/608592470.db2.gz FXNPLIMEOOPDAO-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826421922 608592472 /nfs/dbraw/zinc/59/24/72/608592472.db2.gz FXNPLIMEOOPDAO-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826452887 608592891 /nfs/dbraw/zinc/59/28/91/608592891.db2.gz MZEIFNNWUNWJPC-UHFFFAOYSA-N -1 3 381.399 3.458 20 0 GGADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826452887 608592893 /nfs/dbraw/zinc/59/28/93/608592893.db2.gz MZEIFNNWUNWJPC-UHFFFAOYSA-N -1 3 381.399 3.458 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826422697 608593055 /nfs/dbraw/zinc/59/30/55/608593055.db2.gz IUWAVFBKMUUSCP-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826422697 608593059 /nfs/dbraw/zinc/59/30/59/608593059.db2.gz IUWAVFBKMUUSCP-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM CC[C@@H]1COCCN1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825220020 608598217 /nfs/dbraw/zinc/59/82/17/608598217.db2.gz ONVDBCTUKVKRFZ-LJQANCHMSA-N -1 3 379.464 3.057 20 0 GGADHM Fc1cc(F)c(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000826372370 608603532 /nfs/dbraw/zinc/60/35/32/608603532.db2.gz SYVLHTIXBMYAMX-UHFFFAOYSA-N -1 3 389.381 3.327 20 0 GGADHM Fc1cc(F)c(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000826372370 608603533 /nfs/dbraw/zinc/60/35/33/608603533.db2.gz SYVLHTIXBMYAMX-UHFFFAOYSA-N -1 3 389.381 3.327 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC000826244670 608605987 /nfs/dbraw/zinc/60/59/87/608605987.db2.gz ABIZCEWZISQCGR-UHFFFAOYSA-N -1 3 395.438 3.136 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC000826244670 608605989 /nfs/dbraw/zinc/60/59/89/608605989.db2.gz ABIZCEWZISQCGR-UHFFFAOYSA-N -1 3 395.438 3.136 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000825539398 608608022 /nfs/dbraw/zinc/60/80/22/608608022.db2.gz OCEJNHCXENKKMU-NEPJUHHUSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000825539398 608608023 /nfs/dbraw/zinc/60/80/23/608608023.db2.gz OCEJNHCXENKKMU-NEPJUHHUSA-N -1 3 387.444 3.087 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1OC ZINC000825318984 608608046 /nfs/dbraw/zinc/60/80/46/608608046.db2.gz VJQPBAFGKGSAOR-UHFFFAOYSA-N -1 3 384.415 3.459 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1OC ZINC000825318984 608608048 /nfs/dbraw/zinc/60/80/48/608608048.db2.gz VJQPBAFGKGSAOR-UHFFFAOYSA-N -1 3 384.415 3.459 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000824293853 608610688 /nfs/dbraw/zinc/61/06/88/608610688.db2.gz ZSUBJKLGFGTCTQ-UHFFFAOYSA-N -1 3 378.436 3.339 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000824293853 608610691 /nfs/dbraw/zinc/61/06/91/608610691.db2.gz ZSUBJKLGFGTCTQ-UHFFFAOYSA-N -1 3 378.436 3.339 20 0 GGADHM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826367411 608621780 /nfs/dbraw/zinc/62/17/80/608621780.db2.gz YFLWVLQFOPRURJ-YUMQZZPRSA-N -1 3 385.337 3.491 20 0 GGADHM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826367411 608621782 /nfs/dbraw/zinc/62/17/82/608621782.db2.gz YFLWVLQFOPRURJ-YUMQZZPRSA-N -1 3 385.337 3.491 20 0 GGADHM CCCC[C@@H](CC)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825261142 608642139 /nfs/dbraw/zinc/64/21/39/608642139.db2.gz VDJJRCJMTVKGQM-ODIFPOPNSA-N -1 3 386.500 3.284 20 0 GGADHM CCCC[C@@H](CC)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825261142 608642140 /nfs/dbraw/zinc/64/21/40/608642140.db2.gz VDJJRCJMTVKGQM-ODIFPOPNSA-N -1 3 386.500 3.284 20 0 GGADHM O=C(Oc1c(F)cccc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826468078 608672897 /nfs/dbraw/zinc/67/28/97/608672897.db2.gz YGGHHLTYGMCXSI-OAHLLOKOSA-N -1 3 387.802 3.234 20 0 GGADHM c1csc(-c2n[nH]c(CSc3nc4c(cc3-c3nnn[n-]3)CCCC4)n2)c1 ZINC000826526044 608755988 /nfs/dbraw/zinc/75/59/88/608755988.db2.gz JAEDSFPWPAMJBS-UHFFFAOYSA-N -1 3 396.505 3.279 20 0 GGADHM c1csc(-c2n[nH]c(CSc3nc4c(cc3-c3nn[n-]n3)CCCC4)n2)c1 ZINC000826526044 608755989 /nfs/dbraw/zinc/75/59/89/608755989.db2.gz JAEDSFPWPAMJBS-UHFFFAOYSA-N -1 3 396.505 3.279 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000824114485 608763182 /nfs/dbraw/zinc/76/31/82/608763182.db2.gz UBJBVRZHHJDPQG-UHFFFAOYSA-N -1 3 391.431 3.025 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000824114485 608763184 /nfs/dbraw/zinc/76/31/84/608763184.db2.gz UBJBVRZHHJDPQG-UHFFFAOYSA-N -1 3 391.431 3.025 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCOc1ccc(F)cc1Cl ZINC000826401998 608767026 /nfs/dbraw/zinc/76/70/26/608767026.db2.gz KVIBBZLLOBUANJ-VMPITWQZSA-N -1 3 388.786 3.295 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCOc1ccc(F)cc1Cl ZINC000826401998 608767029 /nfs/dbraw/zinc/76/70/29/608767029.db2.gz KVIBBZLLOBUANJ-VMPITWQZSA-N -1 3 388.786 3.295 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000824506041 608790847 /nfs/dbraw/zinc/79/08/47/608790847.db2.gz KEVVJEWJNZCLJB-CYBMUJFWSA-N -1 3 395.467 3.460 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000824506041 608790850 /nfs/dbraw/zinc/79/08/50/608790850.db2.gz KEVVJEWJNZCLJB-CYBMUJFWSA-N -1 3 395.467 3.460 20 0 GGADHM FC(F)(F)c1csc([C@@H]2CCCN(c3cnccc3-c3nnn[n-]3)C2)n1 ZINC000826369258 608794293 /nfs/dbraw/zinc/79/42/93/608794293.db2.gz UOIFLLWWCDLJAJ-SECBINFHSA-N -1 3 381.387 3.121 20 0 GGADHM FC(F)(F)c1csc([C@@H]2CCCN(c3cnccc3-c3nn[n-]n3)C2)n1 ZINC000826369258 608794297 /nfs/dbraw/zinc/79/42/97/608794297.db2.gz UOIFLLWWCDLJAJ-SECBINFHSA-N -1 3 381.387 3.121 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826419172 608823476 /nfs/dbraw/zinc/82/34/76/608823476.db2.gz MIKBJFXMPSBXLA-QGZVFWFLSA-N -1 3 393.428 3.035 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826419172 608823479 /nfs/dbraw/zinc/82/34/79/608823479.db2.gz MIKBJFXMPSBXLA-QGZVFWFLSA-N -1 3 393.428 3.035 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000824745113 608824274 /nfs/dbraw/zinc/82/42/74/608824274.db2.gz MQRZNYDXCQLGPY-RDBSUJKOSA-N -1 3 395.438 3.308 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000824745113 608824275 /nfs/dbraw/zinc/82/42/75/608824275.db2.gz MQRZNYDXCQLGPY-RDBSUJKOSA-N -1 3 395.438 3.308 20 0 GGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825012353 608828068 /nfs/dbraw/zinc/82/80/68/608828068.db2.gz HRRSARMBQZOWHK-UONOGXRCSA-N -1 3 379.439 3.473 20 0 GGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825012353 608828069 /nfs/dbraw/zinc/82/80/69/608828069.db2.gz HRRSARMBQZOWHK-UONOGXRCSA-N -1 3 379.439 3.473 20 0 GGADHM Cc1cc(C)cc(C2=CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264557 608829029 /nfs/dbraw/zinc/82/90/29/608829029.db2.gz SBTRQBDBPCEWJK-UHFFFAOYSA-N -1 3 389.459 3.178 20 0 GGADHM Cc1cc(C)cc(C2=CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264557 608829030 /nfs/dbraw/zinc/82/90/30/608829030.db2.gz SBTRQBDBPCEWJK-UHFFFAOYSA-N -1 3 389.459 3.178 20 0 GGADHM O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826507225 608847730 /nfs/dbraw/zinc/84/77/30/608847730.db2.gz KREJJUMMJXIXRV-TZMCWYRMSA-N -1 3 395.410 3.255 20 0 GGADHM O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826507225 608847732 /nfs/dbraw/zinc/84/77/32/608847732.db2.gz KREJJUMMJXIXRV-TZMCWYRMSA-N -1 3 395.410 3.255 20 0 GGADHM CC1(C)Cc2cc(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)ccc2O1 ZINC000824812259 608852980 /nfs/dbraw/zinc/85/29/80/608852980.db2.gz MOIXTRBBJOFDCU-HXUWFJFHSA-N -1 3 391.475 3.154 20 0 GGADHM Cc1ccc(NC(=O)C(C)C)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826290699 608861742 /nfs/dbraw/zinc/86/17/42/608861742.db2.gz WALXRYNPBBBUKG-UHFFFAOYSA-N -1 3 390.451 3.029 20 0 GGADHM Cc1ccc(NC(=O)C(C)C)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826290699 608861746 /nfs/dbraw/zinc/86/17/46/608861746.db2.gz WALXRYNPBBBUKG-UHFFFAOYSA-N -1 3 390.451 3.029 20 0 GGADHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1OCc1cccnc1 ZINC000826203667 608872213 /nfs/dbraw/zinc/87/22/13/608872213.db2.gz AKPNRFSGKAUYHV-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1OCc1cccnc1 ZINC000826203667 608872215 /nfs/dbraw/zinc/87/22/15/608872215.db2.gz AKPNRFSGKAUYHV-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM O=C(Cc1cccc(OCc2cccnc2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000536144947 608876168 /nfs/dbraw/zinc/87/61/68/608876168.db2.gz PQIAGYWTBZASOX-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1cccc(OCc2cccnc2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000536144947 608876170 /nfs/dbraw/zinc/87/61/70/608876170.db2.gz PQIAGYWTBZASOX-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM COc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1OC ZINC000539676007 609134789 /nfs/dbraw/zinc/13/47/89/609134789.db2.gz BCPPYPMDNRIGFL-UHFFFAOYSA-N -1 3 393.447 3.334 20 0 GGADHM COc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1OC ZINC000539676007 609134791 /nfs/dbraw/zinc/13/47/91/609134791.db2.gz BCPPYPMDNRIGFL-UHFFFAOYSA-N -1 3 393.447 3.334 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824237570 609136309 /nfs/dbraw/zinc/13/63/09/609136309.db2.gz UCBCYJZHORVSRB-OLZOCXBDSA-N -1 3 394.932 3.400 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824237570 609136311 /nfs/dbraw/zinc/13/63/11/609136311.db2.gz UCBCYJZHORVSRB-OLZOCXBDSA-N -1 3 394.932 3.400 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nn1-c1cccc(Cl)c1 ZINC000826260331 609140291 /nfs/dbraw/zinc/14/02/91/609140291.db2.gz IYXUUYQSWKXXED-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nn1-c1cccc(Cl)c1 ZINC000826260331 609140293 /nfs/dbraw/zinc/14/02/93/609140293.db2.gz IYXUUYQSWKXXED-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826247059 609140922 /nfs/dbraw/zinc/14/09/22/609140922.db2.gz SGMRXHRLLRTOPK-CQSZACIVSA-N -1 3 397.307 3.487 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826247059 609140924 /nfs/dbraw/zinc/14/09/24/609140924.db2.gz SGMRXHRLLRTOPK-CQSZACIVSA-N -1 3 397.307 3.487 20 0 GGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)nn1[C@H](C)C1CC1 ZINC000826261131 609143306 /nfs/dbraw/zinc/14/33/06/609143306.db2.gz SCKIHLLQUMRYHP-SNVBAGLBSA-N -1 3 383.481 3.145 20 0 GGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)nn1[C@H](C)C1CC1 ZINC000826261131 609143308 /nfs/dbraw/zinc/14/33/08/609143308.db2.gz SCKIHLLQUMRYHP-SNVBAGLBSA-N -1 3 383.481 3.145 20 0 GGADHM COc1ccc([C@@H](NCc2cc(-c3nnn[n-]3)ccc2F)C(F)(F)F)cc1 ZINC000826188806 609149941 /nfs/dbraw/zinc/14/99/41/609149941.db2.gz HDSSQTYVANYIEA-OAHLLOKOSA-N -1 3 381.333 3.408 20 0 GGADHM COc1ccc([C@@H](NCc2cc(-c3nn[n-]n3)ccc2F)C(F)(F)F)cc1 ZINC000826188806 609149942 /nfs/dbraw/zinc/14/99/42/609149942.db2.gz HDSSQTYVANYIEA-OAHLLOKOSA-N -1 3 381.333 3.408 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000826278131 609152093 /nfs/dbraw/zinc/15/20/93/609152093.db2.gz RWJDKGMDPOCPLW-HNNXBMFYSA-N -1 3 380.456 3.152 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000826278131 609152094 /nfs/dbraw/zinc/15/20/94/609152094.db2.gz RWJDKGMDPOCPLW-HNNXBMFYSA-N -1 3 380.456 3.152 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826456678 609152736 /nfs/dbraw/zinc/15/27/36/609152736.db2.gz RHWPBPRCPRZFNR-QGZVFWFLSA-N -1 3 392.467 3.377 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826456678 609152737 /nfs/dbraw/zinc/15/27/37/609152737.db2.gz RHWPBPRCPRZFNR-QGZVFWFLSA-N -1 3 392.467 3.377 20 0 GGADHM COCC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccco1 ZINC000826154561 609153390 /nfs/dbraw/zinc/15/33/90/609153390.db2.gz RLVBBWTVBVUNCA-ZDUSSCGKSA-N -1 3 376.804 3.012 20 0 GGADHM COCC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccco1 ZINC000826154561 609153392 /nfs/dbraw/zinc/15/33/92/609153392.db2.gz RLVBBWTVBVUNCA-ZDUSSCGKSA-N -1 3 376.804 3.012 20 0 GGADHM COC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)c(F)c1 ZINC000826150867 609156834 /nfs/dbraw/zinc/15/68/34/609156834.db2.gz NKVLGDKSYQMSOB-QGHHPUGFSA-N -1 3 377.370 3.322 20 0 GGADHM COC[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)c(F)c1 ZINC000826150867 609156836 /nfs/dbraw/zinc/15/68/36/609156836.db2.gz NKVLGDKSYQMSOB-QGHHPUGFSA-N -1 3 377.370 3.322 20 0 GGADHM CC[C@]1(C)CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000825164532 609159944 /nfs/dbraw/zinc/15/99/44/609159944.db2.gz CDKANZBEVDFOHZ-HXUWFJFHSA-N -1 3 379.468 3.013 20 0 GGADHM CC[C@]1(C)CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000825164532 609159945 /nfs/dbraw/zinc/15/99/45/609159945.db2.gz CDKANZBEVDFOHZ-HXUWFJFHSA-N -1 3 379.468 3.013 20 0 GGADHM Cc1cc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258105 609160516 /nfs/dbraw/zinc/16/05/16/609160516.db2.gz ZJXPLUQVYHCSAC-XOBRGWDASA-N -1 3 399.458 3.194 20 0 GGADHM Cc1cc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258105 609160517 /nfs/dbraw/zinc/16/05/17/609160517.db2.gz ZJXPLUQVYHCSAC-XOBRGWDASA-N -1 3 399.458 3.194 20 0 GGADHM C[C@H]1C[C@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC(C)(C)C1 ZINC000824865422 609162551 /nfs/dbraw/zinc/16/25/51/609162551.db2.gz INOQTHFIJBHQIK-BBRMVZONSA-N -1 3 393.495 3.335 20 0 GGADHM C[C@H]1C[C@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC(C)(C)C1 ZINC000824865422 609162552 /nfs/dbraw/zinc/16/25/52/609162552.db2.gz INOQTHFIJBHQIK-BBRMVZONSA-N -1 3 393.495 3.335 20 0 GGADHM CCN(C(=O)c1ccc(C(C)=O)cc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379168 609162807 /nfs/dbraw/zinc/16/28/07/609162807.db2.gz BFGUHOKAKQDFBA-GFCCVEGCSA-N -1 3 381.411 3.432 20 0 GGADHM CCN(C(=O)c1ccc(C(C)=O)cc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379168 609162809 /nfs/dbraw/zinc/16/28/09/609162809.db2.gz BFGUHOKAKQDFBA-GFCCVEGCSA-N -1 3 381.411 3.432 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccc(C)cc1 ZINC000826280635 609163391 /nfs/dbraw/zinc/16/33/91/609163391.db2.gz JQORDRUHSWCVIG-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(C)cc1 ZINC000826280635 609163393 /nfs/dbraw/zinc/16/33/93/609163393.db2.gz JQORDRUHSWCVIG-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCc2ccoc2)c1-c1nnn[n-]1 ZINC000826233505 609165527 /nfs/dbraw/zinc/16/55/27/609165527.db2.gz KFHWDVILLDDVQX-UHFFFAOYSA-N -1 3 376.420 3.439 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCc2ccoc2)c1-c1nn[n-]n1 ZINC000826233505 609165528 /nfs/dbraw/zinc/16/55/28/609165528.db2.gz KFHWDVILLDDVQX-UHFFFAOYSA-N -1 3 376.420 3.439 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826442913 609166737 /nfs/dbraw/zinc/16/67/37/609166737.db2.gz PSHOHKYCQJWUGY-UHFFFAOYSA-N -1 3 394.769 3.443 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826442913 609166739 /nfs/dbraw/zinc/16/67/39/609166739.db2.gz PSHOHKYCQJWUGY-UHFFFAOYSA-N -1 3 394.769 3.443 20 0 GGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)O1 ZINC000825184466 609167639 /nfs/dbraw/zinc/16/76/39/609167639.db2.gz VBZYNALMOSEVEC-CVEARBPZSA-N -1 3 380.452 3.170 20 0 GGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)O1 ZINC000825184466 609167640 /nfs/dbraw/zinc/16/76/40/609167640.db2.gz VBZYNALMOSEVEC-CVEARBPZSA-N -1 3 380.452 3.170 20 0 GGADHM O=C(NC1(c2ccc(C(F)(F)F)cc2)CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427763 609171149 /nfs/dbraw/zinc/17/11/49/609171149.db2.gz ZQSCMIIIMIQGKO-UHFFFAOYSA-N -1 3 390.369 3.413 20 0 GGADHM O=C(NC1(c2ccc(C(F)(F)F)cc2)CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427763 609171151 /nfs/dbraw/zinc/17/11/51/609171151.db2.gz ZQSCMIIIMIQGKO-UHFFFAOYSA-N -1 3 390.369 3.413 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCO1 ZINC000824244793 609171253 /nfs/dbraw/zinc/17/12/53/609171253.db2.gz UBKQVAZNYKNMRK-NWDGAFQWSA-N -1 3 388.422 3.121 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCO1 ZINC000824244793 609171254 /nfs/dbraw/zinc/17/12/54/609171254.db2.gz UBKQVAZNYKNMRK-NWDGAFQWSA-N -1 3 388.422 3.121 20 0 GGADHM CC1CCC2(CC1)OC[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)O2 ZINC000824916627 609172841 /nfs/dbraw/zinc/17/28/41/609172841.db2.gz KTDRMCJGVSWAPA-NOEPWBJOSA-N -1 3 398.389 3.014 20 0 GGADHM CC1CCC2(CC1)OC[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)O2 ZINC000824916627 609172843 /nfs/dbraw/zinc/17/28/43/609172843.db2.gz KTDRMCJGVSWAPA-NOEPWBJOSA-N -1 3 398.389 3.014 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826371288 609172892 /nfs/dbraw/zinc/17/28/92/609172892.db2.gz AEFVGSIMUHVUHV-GOSISDBHSA-N -1 3 381.459 3.485 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826371288 609172894 /nfs/dbraw/zinc/17/28/94/609172894.db2.gz AEFVGSIMUHVUHV-GOSISDBHSA-N -1 3 381.459 3.485 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000825480708 609177750 /nfs/dbraw/zinc/17/77/50/609177750.db2.gz HHINDCRBKYAAFY-HNNXBMFYSA-N -1 3 393.495 3.205 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccc(C)cc2)no1 ZINC000825481254 609179518 /nfs/dbraw/zinc/17/95/18/609179518.db2.gz UUKIGVKDGWCQET-UHFFFAOYSA-N -1 3 376.424 3.269 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)[C@@H](C)C2 ZINC000826294257 609180873 /nfs/dbraw/zinc/18/08/73/609180873.db2.gz MWGMJWGGBAUCST-KPZWWZAWSA-N -1 3 380.427 3.047 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)[C@@H](C)C2 ZINC000826294257 609180875 /nfs/dbraw/zinc/18/08/75/609180875.db2.gz MWGMJWGGBAUCST-KPZWWZAWSA-N -1 3 380.427 3.047 20 0 GGADHM CC(C)c1ccc(CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000824348014 609186108 /nfs/dbraw/zinc/18/61/08/609186108.db2.gz WTVIQUAZIJMSAF-HXUWFJFHSA-N -1 3 391.475 3.215 20 0 GGADHM CC(C)c1ccc(CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000824348014 609186109 /nfs/dbraw/zinc/18/61/09/609186109.db2.gz WTVIQUAZIJMSAF-HXUWFJFHSA-N -1 3 391.475 3.215 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824497991 609186154 /nfs/dbraw/zinc/18/61/54/609186154.db2.gz BSPNIZTVBSDSJJ-YVEFUNNKSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824497991 609186156 /nfs/dbraw/zinc/18/61/56/609186156.db2.gz BSPNIZTVBSDSJJ-YVEFUNNKSA-N -1 3 396.426 3.280 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427560 609186770 /nfs/dbraw/zinc/18/67/70/609186770.db2.gz UEYLMXJPHHWNJU-SFTDATJTSA-N -1 3 399.454 3.000 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427560 609186772 /nfs/dbraw/zinc/18/67/72/609186772.db2.gz UEYLMXJPHHWNJU-SFTDATJTSA-N -1 3 399.454 3.000 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000825958442 609187875 /nfs/dbraw/zinc/18/78/75/609187875.db2.gz WRXQMFVBAZTAME-KRWDZBQOSA-N -1 3 396.426 3.061 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000825958442 609187877 /nfs/dbraw/zinc/18/78/77/609187877.db2.gz WRXQMFVBAZTAME-KRWDZBQOSA-N -1 3 396.426 3.061 20 0 GGADHM O=C(Nc1ccccc1Oc1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457866 609188575 /nfs/dbraw/zinc/18/85/75/609188575.db2.gz TYMJBDRORKBQJS-IBGZPJMESA-N -1 3 387.399 3.331 20 0 GGADHM O=C(Nc1ccccc1Oc1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457866 609188576 /nfs/dbraw/zinc/18/85/76/609188576.db2.gz TYMJBDRORKBQJS-IBGZPJMESA-N -1 3 387.399 3.331 20 0 GGADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1Cl ZINC000824470205 609193004 /nfs/dbraw/zinc/19/30/04/609193004.db2.gz GFFNQOPJMNZZLT-BJOHPYRUSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1Cl ZINC000824470205 609193006 /nfs/dbraw/zinc/19/30/06/609193006.db2.gz GFFNQOPJMNZZLT-BJOHPYRUSA-N -1 3 392.246 3.084 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824087381 609196942 /nfs/dbraw/zinc/19/69/42/609196942.db2.gz UFBDSHGEIYFGAY-ZWKOTPCHSA-N -1 3 379.464 3.194 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824087381 609196943 /nfs/dbraw/zinc/19/69/43/609196943.db2.gz UFBDSHGEIYFGAY-ZWKOTPCHSA-N -1 3 379.464 3.194 20 0 GGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427705 609200053 /nfs/dbraw/zinc/20/00/53/609200053.db2.gz XSTKTGPYJNHVHR-MOPGFXCFSA-N -1 3 395.438 3.087 20 0 GGADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427705 609200054 /nfs/dbraw/zinc/20/00/54/609200054.db2.gz XSTKTGPYJNHVHR-MOPGFXCFSA-N -1 3 395.438 3.087 20 0 GGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000826469078 609200129 /nfs/dbraw/zinc/20/01/29/609200129.db2.gz UFOBSKLXWBXURF-UHFFFAOYSA-N -1 3 377.235 3.306 20 0 GGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000826469078 609200131 /nfs/dbraw/zinc/20/01/31/609200131.db2.gz UFOBSKLXWBXURF-UHFFFAOYSA-N -1 3 377.235 3.306 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1c1ccccc1 ZINC000826397389 609206516 /nfs/dbraw/zinc/20/65/16/609206516.db2.gz BWLHLQHNZCGLEQ-OALUTQOASA-N -1 3 377.448 3.044 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1c1ccccc1 ZINC000826397389 609206517 /nfs/dbraw/zinc/20/65/17/609206517.db2.gz BWLHLQHNZCGLEQ-OALUTQOASA-N -1 3 377.448 3.044 20 0 GGADHM CC(C)c1nc2ccc(NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC000824364772 609213287 /nfs/dbraw/zinc/21/32/87/609213287.db2.gz UDSNFGDHZZONIO-MRXNPFEDSA-N -1 3 394.460 3.272 20 0 GGADHM CC(C)c1nc2ccc(NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000824364772 609213288 /nfs/dbraw/zinc/21/32/88/609213288.db2.gz UDSNFGDHZZONIO-MRXNPFEDSA-N -1 3 394.460 3.272 20 0 GGADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccc(C)o1 ZINC000825282134 609214735 /nfs/dbraw/zinc/21/47/35/609214735.db2.gz ODTLCMLYGTVTIY-KBXCAEBGSA-N -1 3 383.452 3.191 20 0 GGADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(C)o1 ZINC000825282134 609214737 /nfs/dbraw/zinc/21/47/37/609214737.db2.gz ODTLCMLYGTVTIY-KBXCAEBGSA-N -1 3 383.452 3.191 20 0 GGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159962 609214740 /nfs/dbraw/zinc/21/47/40/609214740.db2.gz VMQVLVLPTZVZSK-AQNXPRMDSA-N -1 3 391.475 3.085 20 0 GGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159962 609214742 /nfs/dbraw/zinc/21/47/42/609214742.db2.gz VMQVLVLPTZVZSK-AQNXPRMDSA-N -1 3 391.475 3.085 20 0 GGADHM O=C(Nc1ccccc1SC(F)(F)F)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457421 609218525 /nfs/dbraw/zinc/21/85/25/609218525.db2.gz AIQYTPJTMADDTK-CYBMUJFWSA-N -1 3 395.366 3.151 20 0 GGADHM O=C(Nc1ccccc1SC(F)(F)F)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457421 609218526 /nfs/dbraw/zinc/21/85/26/609218526.db2.gz AIQYTPJTMADDTK-CYBMUJFWSA-N -1 3 395.366 3.151 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824371661 609223379 /nfs/dbraw/zinc/22/33/79/609223379.db2.gz NNLAGKXQVMJINU-QGZVFWFLSA-N -1 3 390.451 3.103 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824371661 609223381 /nfs/dbraw/zinc/22/33/81/609223381.db2.gz NNLAGKXQVMJINU-QGZVFWFLSA-N -1 3 390.451 3.103 20 0 GGADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825021288 609223755 /nfs/dbraw/zinc/22/37/55/609223755.db2.gz PYILCCLSKXYOLJ-QMMMGPOBSA-N -1 3 377.235 3.261 20 0 GGADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825021288 609223757 /nfs/dbraw/zinc/22/37/57/609223757.db2.gz PYILCCLSKXYOLJ-QMMMGPOBSA-N -1 3 377.235 3.261 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)C1CCCCC1 ZINC000826396775 609227232 /nfs/dbraw/zinc/22/72/32/609227232.db2.gz KNTPNYAPKNIWGC-FQEVSTJZSA-N -1 3 391.475 3.262 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)C1CCCCC1 ZINC000826396775 609227234 /nfs/dbraw/zinc/22/72/34/609227234.db2.gz KNTPNYAPKNIWGC-FQEVSTJZSA-N -1 3 391.475 3.262 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000826273386 609227243 /nfs/dbraw/zinc/22/72/43/609227243.db2.gz BKYSNPOUFBSICT-AWEZNQCLSA-N -1 3 398.473 3.032 20 0 GGADHM Cc1ccc(-c2csc(NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC000826273386 609227245 /nfs/dbraw/zinc/22/72/45/609227245.db2.gz BKYSNPOUFBSICT-AWEZNQCLSA-N -1 3 398.473 3.032 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(c2ccccc2)C1 ZINC000824147468 609231831 /nfs/dbraw/zinc/23/18/31/609231831.db2.gz DFNBVPDMKZACBX-UHFFFAOYSA-N -1 3 377.452 3.354 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(c2ccccc2)C1 ZINC000824147468 609231832 /nfs/dbraw/zinc/23/18/32/609231832.db2.gz DFNBVPDMKZACBX-UHFFFAOYSA-N -1 3 377.452 3.354 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccc(C)cc1 ZINC000826280932 609233961 /nfs/dbraw/zinc/23/39/61/609233961.db2.gz WPZBOEURCAVHRX-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccc(C)cc1 ZINC000826280932 609233963 /nfs/dbraw/zinc/23/39/63/609233963.db2.gz WPZBOEURCAVHRX-HNNXBMFYSA-N -1 3 387.447 3.160 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ncc(Cl)cc1Cl ZINC000824736993 609237207 /nfs/dbraw/zinc/23/72/07/609237207.db2.gz ANIHNGDIPBZPDL-VIFPVBQESA-N -1 3 394.218 3.079 20 0 GGADHM C[C@H](Nc1cccc(OCC(=O)N2CCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662730 609238899 /nfs/dbraw/zinc/23/88/99/609238899.db2.gz QKEMWQVDZDHPGG-HNNXBMFYSA-N -1 3 392.463 3.041 20 0 GGADHM C[C@H](Nc1cccc(OCC(=O)N2CCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662730 609238901 /nfs/dbraw/zinc/23/89/01/609238901.db2.gz QKEMWQVDZDHPGG-HNNXBMFYSA-N -1 3 392.463 3.041 20 0 GGADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825149075 609240476 /nfs/dbraw/zinc/24/04/76/609240476.db2.gz VFWFRZKEOMFBRV-LJQANCHMSA-N -1 3 378.480 3.391 20 0 GGADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825149075 609240478 /nfs/dbraw/zinc/24/04/78/609240478.db2.gz VFWFRZKEOMFBRV-LJQANCHMSA-N -1 3 378.480 3.391 20 0 GGADHM CCc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)o1 ZINC000825704683 609240644 /nfs/dbraw/zinc/24/06/44/609240644.db2.gz MWRYVDKQWBGMIW-CYBMUJFWSA-N -1 3 382.468 3.156 20 0 GGADHM CCc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)o1 ZINC000825704683 609240645 /nfs/dbraw/zinc/24/06/45/609240645.db2.gz MWRYVDKQWBGMIW-CYBMUJFWSA-N -1 3 382.468 3.156 20 0 GGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccnc1Cl ZINC000824657696 609241669 /nfs/dbraw/zinc/24/16/69/609241669.db2.gz SBTGYSQJFOCTRM-LBPRGKRZSA-N -1 3 399.886 3.049 20 0 GGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccnc1Cl ZINC000824657696 609241670 /nfs/dbraw/zinc/24/16/70/609241670.db2.gz SBTGYSQJFOCTRM-LBPRGKRZSA-N -1 3 399.886 3.049 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465850 609248104 /nfs/dbraw/zinc/24/81/04/609248104.db2.gz GCVSJLWGODKULF-UHFFFAOYSA-N -1 3 388.349 3.449 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2ccc(F)cc2F)CCC1 ZINC000826465850 609248106 /nfs/dbraw/zinc/24/81/06/609248106.db2.gz GCVSJLWGODKULF-UHFFFAOYSA-N -1 3 388.349 3.449 20 0 GGADHM O=C(c1ccc(COc2ccccc2-c2nnn[n-]2)o1)N1CC2(C1)CCCCC2 ZINC000826472766 609249325 /nfs/dbraw/zinc/24/93/25/609249325.db2.gz WPMJOMQZYWASMI-UHFFFAOYSA-N -1 3 393.447 3.445 20 0 GGADHM O=C(c1ccc(COc2ccccc2-c2nn[n-]n2)o1)N1CC2(C1)CCCCC2 ZINC000826472766 609249326 /nfs/dbraw/zinc/24/93/26/609249326.db2.gz WPMJOMQZYWASMI-UHFFFAOYSA-N -1 3 393.447 3.445 20 0 GGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826455751 609252427 /nfs/dbraw/zinc/25/24/27/609252427.db2.gz CCAIMNBGRWAXEH-UHFFFAOYSA-N -1 3 389.400 3.384 20 0 GGADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826455751 609252429 /nfs/dbraw/zinc/25/24/29/609252429.db2.gz CCAIMNBGRWAXEH-UHFFFAOYSA-N -1 3 389.400 3.384 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824650621 609254031 /nfs/dbraw/zinc/25/40/31/609254031.db2.gz TZSJQUAAZNGZRC-HNAYVOBHSA-N -1 3 393.491 3.470 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824650621 609254032 /nfs/dbraw/zinc/25/40/32/609254032.db2.gz TZSJQUAAZNGZRC-HNAYVOBHSA-N -1 3 393.491 3.470 20 0 GGADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385506 609254291 /nfs/dbraw/zinc/25/42/91/609254291.db2.gz VVVOLVUXXRBGOQ-CYBMUJFWSA-N -1 3 397.866 3.388 20 0 GGADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385506 609254293 /nfs/dbraw/zinc/25/42/93/609254293.db2.gz VVVOLVUXXRBGOQ-CYBMUJFWSA-N -1 3 397.866 3.388 20 0 GGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000824347526 609256734 /nfs/dbraw/zinc/25/67/34/609256734.db2.gz CBDVHKRAMODHGZ-WOJBJXKFSA-N -1 3 391.475 3.217 20 0 GGADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000824347526 609256736 /nfs/dbraw/zinc/25/67/36/609256736.db2.gz CBDVHKRAMODHGZ-WOJBJXKFSA-N -1 3 391.475 3.217 20 0 GGADHM COc1cccc([C@H](C)OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214249 609257623 /nfs/dbraw/zinc/25/76/23/609257623.db2.gz GBLMBWDJERGDBF-IFXJQAMLSA-N -1 3 393.447 3.149 20 0 GGADHM COc1cccc([C@H](C)OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214251 609257843 /nfs/dbraw/zinc/25/78/43/609257843.db2.gz GBLMBWDJERGDBF-LIRRHRJNSA-N -1 3 393.447 3.149 20 0 GGADHM COC1(C)CN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)C1 ZINC000826143651 609261116 /nfs/dbraw/zinc/26/11/16/609261116.db2.gz JYQJURMTSLKIDE-UHFFFAOYSA-N -1 3 399.838 3.173 20 0 GGADHM COC1(C)CN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)C1 ZINC000826143651 609261117 /nfs/dbraw/zinc/26/11/17/609261117.db2.gz JYQJURMTSLKIDE-UHFFFAOYSA-N -1 3 399.838 3.173 20 0 GGADHM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CCC2 ZINC000824371491 609266821 /nfs/dbraw/zinc/26/68/21/609266821.db2.gz HVIUIVXTPJSDAU-HNNXBMFYSA-N -1 3 385.859 3.105 20 0 GGADHM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CCC2 ZINC000824371491 609266823 /nfs/dbraw/zinc/26/68/23/609266823.db2.gz HVIUIVXTPJSDAU-HNNXBMFYSA-N -1 3 385.859 3.105 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826247003 609267217 /nfs/dbraw/zinc/26/72/17/609267217.db2.gz RAKYNAUQCOAJQV-GOSISDBHSA-N -1 3 391.479 3.294 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826247003 609267218 /nfs/dbraw/zinc/26/72/18/609267218.db2.gz RAKYNAUQCOAJQV-GOSISDBHSA-N -1 3 391.479 3.294 20 0 GGADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc(-c2nnn[n-]2)cs1 ZINC000826430981 609267439 /nfs/dbraw/zinc/26/74/39/609267439.db2.gz OQBBFPPHXCHUGP-AWEZNQCLSA-N -1 3 383.481 3.047 20 0 GGADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc(-c2nn[n-]n2)cs1 ZINC000826430981 609267441 /nfs/dbraw/zinc/26/74/41/609267441.db2.gz OQBBFPPHXCHUGP-AWEZNQCLSA-N -1 3 383.481 3.047 20 0 GGADHM CC(C)C[C@@H]1NC(=O)N(c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1=O ZINC000824276020 609274258 /nfs/dbraw/zinc/27/42/58/609274258.db2.gz WXUPFBZQIDYKEL-KRWDZBQOSA-N -1 3 392.419 3.130 20 0 GGADHM CC(C)C[C@@H]1NC(=O)N(c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1=O ZINC000824276020 609274260 /nfs/dbraw/zinc/27/42/60/609274260.db2.gz WXUPFBZQIDYKEL-KRWDZBQOSA-N -1 3 392.419 3.130 20 0 GGADHM c1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(-c2nnnn2C2CC2)c1 ZINC000826516784 609274636 /nfs/dbraw/zinc/27/46/36/609274636.db2.gz BEJLTPMDWBKPLM-IBGZPJMESA-N -1 3 399.462 3.345 20 0 GGADHM c1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(-c2nnnn2C2CC2)c1 ZINC000826516784 609274637 /nfs/dbraw/zinc/27/46/37/609274637.db2.gz BEJLTPMDWBKPLM-IBGZPJMESA-N -1 3 399.462 3.345 20 0 GGADHM COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826187299 609277144 /nfs/dbraw/zinc/27/71/44/609277144.db2.gz KDJAAKTZHLFIEW-CQSZACIVSA-N -1 3 392.463 3.284 20 0 GGADHM COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826187299 609277146 /nfs/dbraw/zinc/27/71/46/609277146.db2.gz KDJAAKTZHLFIEW-CQSZACIVSA-N -1 3 392.463 3.284 20 0 GGADHM Fc1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ccc1N1CCOCC1 ZINC000826372836 609279039 /nfs/dbraw/zinc/27/90/39/609279039.db2.gz NLPWVHOWJSWKEW-LJQANCHMSA-N -1 3 394.454 3.332 20 0 GGADHM Fc1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1N1CCOCC1 ZINC000826372836 609279041 /nfs/dbraw/zinc/27/90/41/609279041.db2.gz NLPWVHOWJSWKEW-LJQANCHMSA-N -1 3 394.454 3.332 20 0 GGADHM COc1cc(OC)c(OC)cc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826180886 609279839 /nfs/dbraw/zinc/27/98/39/609279839.db2.gz BIDYWIVLVOENBH-HNNXBMFYSA-N -1 3 381.436 3.382 20 0 GGADHM COc1cc(OC)c(OC)cc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826180886 609279841 /nfs/dbraw/zinc/27/98/41/609279841.db2.gz BIDYWIVLVOENBH-HNNXBMFYSA-N -1 3 381.436 3.382 20 0 GGADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCCOC1 ZINC000824784404 609279874 /nfs/dbraw/zinc/27/98/74/609279874.db2.gz SGSZZNNKTLBZMQ-GOSISDBHSA-N -1 3 375.498 3.342 20 0 GGADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCCOC1 ZINC000824784404 609279876 /nfs/dbraw/zinc/27/98/76/609279876.db2.gz SGSZZNNKTLBZMQ-GOSISDBHSA-N -1 3 375.498 3.342 20 0 GGADHM CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000825471491 609279903 /nfs/dbraw/zinc/27/99/03/609279903.db2.gz UVQLKAYTRQZRSA-ZDUSSCGKSA-N -1 3 377.452 3.132 20 0 GGADHM CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000825471491 609279905 /nfs/dbraw/zinc/27/99/05/609279905.db2.gz UVQLKAYTRQZRSA-ZDUSSCGKSA-N -1 3 377.452 3.132 20 0 GGADHM C[C@@]1(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCOC1 ZINC000824784524 609279954 /nfs/dbraw/zinc/27/99/54/609279954.db2.gz VVAJXJNYNPYPPX-OAQYLSRUSA-N -1 3 393.447 3.201 20 0 GGADHM C[C@@]1(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCCOC1 ZINC000824784524 609279956 /nfs/dbraw/zinc/27/99/56/609279956.db2.gz VVAJXJNYNPYPPX-OAQYLSRUSA-N -1 3 393.447 3.201 20 0 GGADHM Cc1nnc(-c2cccc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)c2)n1C ZINC000826335274 609280305 /nfs/dbraw/zinc/28/03/05/609280305.db2.gz GUIVYFBMWVLLEQ-LJQANCHMSA-N -1 3 386.463 3.460 20 0 GGADHM Cc1nnc(-c2cccc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)c2)n1C ZINC000826335274 609280307 /nfs/dbraw/zinc/28/03/07/609280307.db2.gz GUIVYFBMWVLLEQ-LJQANCHMSA-N -1 3 386.463 3.460 20 0 GGADHM Cc1nc2cc(NCC(=O)Nc3cc(Cl)ccc3-c3nnn[n-]3)ccc2s1 ZINC000826329289 609281000 /nfs/dbraw/zinc/28/10/00/609281000.db2.gz XHIAVKJOTYABNC-UHFFFAOYSA-N -1 3 399.867 3.489 20 0 GGADHM Cc1nc2cc(NCC(=O)Nc3cc(Cl)ccc3-c3nn[n-]n3)ccc2s1 ZINC000826329289 609281002 /nfs/dbraw/zinc/28/10/02/609281002.db2.gz XHIAVKJOTYABNC-UHFFFAOYSA-N -1 3 399.867 3.489 20 0 GGADHM CSc1ccccc1CSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826231194 609282473 /nfs/dbraw/zinc/28/24/73/609282473.db2.gz BGHYGJUXBRFBGY-UHFFFAOYSA-N -1 3 385.518 3.138 20 0 GGADHM CSc1ccccc1CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826231194 609282475 /nfs/dbraw/zinc/28/24/75/609282475.db2.gz BGHYGJUXBRFBGY-UHFFFAOYSA-N -1 3 385.518 3.138 20 0 GGADHM CC(C)(C)[C@H](NCc1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccccc1 ZINC000824130228 609282778 /nfs/dbraw/zinc/28/27/78/609282778.db2.gz JDXKCPXZJBQFTK-GOSISDBHSA-N -1 3 379.464 3.114 20 0 GGADHM CC(C)(C)[C@H](NCc1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccccc1 ZINC000824130228 609282780 /nfs/dbraw/zinc/28/27/80/609282780.db2.gz JDXKCPXZJBQFTK-GOSISDBHSA-N -1 3 379.464 3.114 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826267675 609287647 /nfs/dbraw/zinc/28/76/47/609287647.db2.gz PZQGHHDIZQKTFS-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM C[C@H](CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccccc1 ZINC000824384833 609288337 /nfs/dbraw/zinc/28/83/37/609288337.db2.gz HWYHBCAREDOCCM-CYBMUJFWSA-N -1 3 391.410 3.324 20 0 GGADHM COc1ccc(CC[C@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826191935 609290421 /nfs/dbraw/zinc/29/04/21/609290421.db2.gz UZMDIZBSZMYEDO-LBPRGKRZSA-N -1 3 385.855 3.280 20 0 GGADHM COc1ccc(CC[C@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826191935 609290423 /nfs/dbraw/zinc/29/04/23/609290423.db2.gz UZMDIZBSZMYEDO-LBPRGKRZSA-N -1 3 385.855 3.280 20 0 GGADHM CCc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000825704948 609290623 /nfs/dbraw/zinc/29/06/23/609290623.db2.gz RGMJUINCHKKKRA-UHFFFAOYSA-N -1 3 377.383 3.006 20 0 GGADHM C[C@@H]1CC(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C[C@@H](C)C1 ZINC000824875389 609290715 /nfs/dbraw/zinc/29/07/15/609290715.db2.gz MHUZDGOIJLMNLQ-RYUDHWBXSA-N -1 3 383.431 3.202 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1coc2ccccc12 ZINC000826459173 609291734 /nfs/dbraw/zinc/29/17/34/609291734.db2.gz YHYHUNPUFADHMX-UHFFFAOYSA-N -1 3 389.350 3.190 20 0 GGADHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1C(C)C ZINC000826177717 609295052 /nfs/dbraw/zinc/29/50/52/609295052.db2.gz RQCRGRDDKJVWMS-UHFFFAOYSA-N -1 3 382.420 3.364 20 0 GGADHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C(C)C ZINC000826177717 609295053 /nfs/dbraw/zinc/29/50/53/609295053.db2.gz RQCRGRDDKJVWMS-UHFFFAOYSA-N -1 3 382.420 3.364 20 0 GGADHM COc1ccc(CCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826192563 609301093 /nfs/dbraw/zinc/30/10/93/609301093.db2.gz SHMSBQFCEPXEJN-UHFFFAOYSA-N -1 3 392.246 3.155 20 0 GGADHM COc1ccc(CCNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826192563 609301095 /nfs/dbraw/zinc/30/10/95/609301095.db2.gz SHMSBQFCEPXEJN-UHFFFAOYSA-N -1 3 392.246 3.155 20 0 GGADHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826431907 609301609 /nfs/dbraw/zinc/30/16/09/609301609.db2.gz NIGLZBZGUWEWOV-CYBMUJFWSA-N -1 3 375.860 3.132 20 0 GGADHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826431907 609301610 /nfs/dbraw/zinc/30/16/10/609301610.db2.gz NIGLZBZGUWEWOV-CYBMUJFWSA-N -1 3 375.860 3.132 20 0 GGADHM Cc1nnc(SCCOc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1C ZINC000826336674 609308919 /nfs/dbraw/zinc/30/89/19/609308919.db2.gz IVNWQPRYWRBRES-UHFFFAOYSA-N -1 3 396.398 3.463 20 0 GGADHM Cc1nnc(SCCOc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1C ZINC000826336674 609308921 /nfs/dbraw/zinc/30/89/21/609308921.db2.gz IVNWQPRYWRBRES-UHFFFAOYSA-N -1 3 396.398 3.463 20 0 GGADHM O=c1c2ccccc2sn1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826501339 609311843 /nfs/dbraw/zinc/31/18/43/609311843.db2.gz LPSVHRYWMQSANM-UHFFFAOYSA-N -1 3 388.250 3.054 20 0 GGADHM O=c1c2ccccc2sn1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826501339 609311844 /nfs/dbraw/zinc/31/18/44/609311844.db2.gz LPSVHRYWMQSANM-UHFFFAOYSA-N -1 3 388.250 3.054 20 0 GGADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826322293 609316806 /nfs/dbraw/zinc/31/68/06/609316806.db2.gz GRVCCAQAVIUFBG-UHFFFAOYSA-N -1 3 399.386 3.224 20 0 GGADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826322293 609316808 /nfs/dbraw/zinc/31/68/08/609316808.db2.gz GRVCCAQAVIUFBG-UHFFFAOYSA-N -1 3 399.386 3.224 20 0 GGADHM O=C(NCCc1nccs1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826440133 609317087 /nfs/dbraw/zinc/31/70/87/609317087.db2.gz ZRFZSZZRRUHMNF-UHFFFAOYSA-N -1 3 392.444 3.088 20 0 GGADHM O=C(NCCc1nccs1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826440133 609317088 /nfs/dbraw/zinc/31/70/88/609317088.db2.gz ZRFZSZZRRUHMNF-UHFFFAOYSA-N -1 3 392.444 3.088 20 0 GGADHM FC(F)O[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000826369445 609317129 /nfs/dbraw/zinc/31/71/29/609317129.db2.gz CXUKKUMQGUZYCY-SNVBAGLBSA-N -1 3 380.786 3.276 20 0 GGADHM FC(F)O[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000826369445 609317131 /nfs/dbraw/zinc/31/71/31/609317131.db2.gz CXUKKUMQGUZYCY-SNVBAGLBSA-N -1 3 380.786 3.276 20 0 GGADHM CC(C)OCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824315534 609317939 /nfs/dbraw/zinc/31/79/39/609317939.db2.gz RIMPVQKRWFCOOC-UHFFFAOYSA-N -1 3 381.436 3.204 20 0 GGADHM CC(C)OCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824315534 609317941 /nfs/dbraw/zinc/31/79/41/609317941.db2.gz RIMPVQKRWFCOOC-UHFFFAOYSA-N -1 3 381.436 3.204 20 0 GGADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C[C@@H]1F ZINC000824962523 609319157 /nfs/dbraw/zinc/31/91/57/609319157.db2.gz VDLCHWQMIRRBJL-ZANVPECISA-N -1 3 378.358 3.201 20 0 GGADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C[C@@H]1F ZINC000824962523 609319158 /nfs/dbraw/zinc/31/91/58/609319158.db2.gz VDLCHWQMIRRBJL-ZANVPECISA-N -1 3 378.358 3.201 20 0 GGADHM C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617072 609325818 /nfs/dbraw/zinc/32/58/18/609325818.db2.gz CLHFJQMWAYBSSO-SNVBAGLBSA-N -1 3 396.348 3.193 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1Cn1nc(C2CC2)nc1C1CC1 ZINC000823826903 609326330 /nfs/dbraw/zinc/32/63/30/609326330.db2.gz QRTWTDMGBCUSMN-UHFFFAOYSA-N -1 3 386.257 3.024 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1Cn1nc(C2CC2)nc1C1CC1 ZINC000823826903 609326331 /nfs/dbraw/zinc/32/63/31/609326331.db2.gz QRTWTDMGBCUSMN-UHFFFAOYSA-N -1 3 386.257 3.024 20 0 GGADHM Cc1noc([C@H](C)SCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000826338220 609329265 /nfs/dbraw/zinc/32/92/65/609329265.db2.gz OFWYSDAVBVMDNZ-ZETCQYMHSA-N -1 3 381.259 3.315 20 0 GGADHM Cc1noc([C@H](C)SCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826338220 609329267 /nfs/dbraw/zinc/32/92/67/609329267.db2.gz OFWYSDAVBVMDNZ-ZETCQYMHSA-N -1 3 381.259 3.315 20 0 GGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825107809 609331364 /nfs/dbraw/zinc/33/13/64/609331364.db2.gz RODJFNYERPTQQV-WBVHZDCISA-N -1 3 389.525 3.059 20 0 GGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825107809 609331365 /nfs/dbraw/zinc/33/13/65/609331365.db2.gz RODJFNYERPTQQV-WBVHZDCISA-N -1 3 389.525 3.059 20 0 GGADHM C[C@@H](SCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC000824756826 609332086 /nfs/dbraw/zinc/33/20/86/609332086.db2.gz QAZNFCMJDINSIQ-LLVKDONJSA-N -1 3 380.433 3.441 20 0 GGADHM C[C@@H](SCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC000824756826 609332088 /nfs/dbraw/zinc/33/20/88/609332088.db2.gz QAZNFCMJDINSIQ-LLVKDONJSA-N -1 3 380.433 3.441 20 0 GGADHM Cc1cc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n(C)n1 ZINC000826267358 609332489 /nfs/dbraw/zinc/33/24/89/609332489.db2.gz BUVDOWUKXXGVBR-UHFFFAOYSA-N -1 3 390.403 3.058 20 0 GGADHM Cc1cc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n(C)n1 ZINC000826267358 609332491 /nfs/dbraw/zinc/33/24/91/609332491.db2.gz BUVDOWUKXXGVBR-UHFFFAOYSA-N -1 3 390.403 3.058 20 0 GGADHM O=C(Nc1ncccc1Cl)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826460904 609335026 /nfs/dbraw/zinc/33/50/26/609335026.db2.gz XKTJMIFMJRGZPV-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM C[C@@H]1C[C@H](CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824886140 609335184 /nfs/dbraw/zinc/33/51/84/609335184.db2.gz VYZHNYHSAPPGMG-HUUCEWRRSA-N -1 3 393.447 3.204 20 0 GGADHM C[C@@H]1C[C@H](CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824886140 609335186 /nfs/dbraw/zinc/33/51/86/609335186.db2.gz VYZHNYHSAPPGMG-HUUCEWRRSA-N -1 3 393.447 3.204 20 0 GGADHM Cc1nc2cc(NCc3cn(C)nc3-c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000826328962 609337138 /nfs/dbraw/zinc/33/71/38/609337138.db2.gz LBYWYVDIFBEVNQ-UHFFFAOYSA-N -1 3 386.419 3.329 20 0 GGADHM Cc1nc2cc(NCc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000826328962 609337140 /nfs/dbraw/zinc/33/71/40/609337140.db2.gz LBYWYVDIFBEVNQ-UHFFFAOYSA-N -1 3 386.419 3.329 20 0 GGADHM O=C(CCc1ccsc1)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826409263 609340793 /nfs/dbraw/zinc/34/07/93/609340793.db2.gz PDGUWMFCNBOVQH-UHFFFAOYSA-N -1 3 393.266 3.367 20 0 GGADHM O=C(CCc1ccsc1)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826409263 609340794 /nfs/dbraw/zinc/34/07/94/609340794.db2.gz PDGUWMFCNBOVQH-UHFFFAOYSA-N -1 3 393.266 3.367 20 0 GGADHM Cn1cc(CNc2cccc(-n3cccn3)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361686 609343719 /nfs/dbraw/zinc/34/37/19/609343719.db2.gz JEKUHTHAIUTZAR-UHFFFAOYSA-N -1 3 397.446 3.065 20 0 GGADHM Cn1cc(CNc2cccc(-n3cccn3)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361686 609343721 /nfs/dbraw/zinc/34/37/21/609343721.db2.gz JEKUHTHAIUTZAR-UHFFFAOYSA-N -1 3 397.446 3.065 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)O1 ZINC000824906480 609348335 /nfs/dbraw/zinc/34/83/35/609348335.db2.gz BYPYUKPEPYDRGE-ZWNOBZJWSA-N -1 3 395.257 3.020 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)O1 ZINC000824906480 609348336 /nfs/dbraw/zinc/34/83/36/609348336.db2.gz BYPYUKPEPYDRGE-ZWNOBZJWSA-N -1 3 395.257 3.020 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826417166 609348780 /nfs/dbraw/zinc/34/87/80/609348780.db2.gz GPTONNYPSUFKBX-GOSISDBHSA-N -1 3 393.422 3.137 20 0 GGADHM C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824656468 609349085 /nfs/dbraw/zinc/34/90/85/609349085.db2.gz KGLGDGFQZMFIQV-LBPRGKRZSA-N -1 3 386.406 3.155 20 0 GGADHM C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824656468 609349086 /nfs/dbraw/zinc/34/90/86/609349086.db2.gz KGLGDGFQZMFIQV-LBPRGKRZSA-N -1 3 386.406 3.155 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1cnccc1Cl ZINC000826464994 609350557 /nfs/dbraw/zinc/35/05/57/609350557.db2.gz UQKLPZMHFLSRTQ-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1cnccc1Cl ZINC000826464994 609350559 /nfs/dbraw/zinc/35/05/59/609350559.db2.gz UQKLPZMHFLSRTQ-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM Cc1cc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)nn1C ZINC000826267347 609351931 /nfs/dbraw/zinc/35/19/31/609351931.db2.gz BASONJQGDCDGMA-UHFFFAOYSA-N -1 3 390.403 3.058 20 0 GGADHM Cc1cc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)nn1C ZINC000826267347 609351933 /nfs/dbraw/zinc/35/19/33/609351933.db2.gz BASONJQGDCDGMA-UHFFFAOYSA-N -1 3 390.403 3.058 20 0 GGADHM Cc1nnc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826335965 609354792 /nfs/dbraw/zinc/35/47/92/609354792.db2.gz IINSRYPSWLRFKU-UHFFFAOYSA-N -1 3 394.416 3.176 20 0 GGADHM Cc1nnc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826335965 609354794 /nfs/dbraw/zinc/35/47/94/609354794.db2.gz IINSRYPSWLRFKU-UHFFFAOYSA-N -1 3 394.416 3.176 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826191660 609355938 /nfs/dbraw/zinc/35/59/38/609355938.db2.gz MGIGGEHCVKGMBG-ZIAGYGMSSA-N -1 3 396.447 3.367 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826191660 609355941 /nfs/dbraw/zinc/35/59/41/609355941.db2.gz MGIGGEHCVKGMBG-ZIAGYGMSSA-N -1 3 396.447 3.367 20 0 GGADHM FC(F)(F)[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826367240 609357002 /nfs/dbraw/zinc/35/70/02/609357002.db2.gz QQYBVWZTDHKLAJ-LLVKDONJSA-N -1 3 390.207 3.404 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N[C@@H]1CC12CCCCC2 ZINC000826458485 609359969 /nfs/dbraw/zinc/35/99/69/609359969.db2.gz ROAJHEQYDSPZBH-CQSZACIVSA-N -1 3 396.430 3.036 20 0 GGADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)sc2C1 ZINC000824080603 609360674 /nfs/dbraw/zinc/36/06/74/609360674.db2.gz YLPCXAOIICFKKE-LLVKDONJSA-N -1 3 383.481 3.122 20 0 GGADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)sc2C1 ZINC000824080603 609360677 /nfs/dbraw/zinc/36/06/77/609360677.db2.gz YLPCXAOIICFKKE-LLVKDONJSA-N -1 3 383.481 3.122 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000823820536 609362310 /nfs/dbraw/zinc/36/23/10/609362310.db2.gz GWKUPHNMTPPEEN-OAHLLOKOSA-N -1 3 388.273 3.080 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000823820536 609362313 /nfs/dbraw/zinc/36/23/13/609362313.db2.gz GWKUPHNMTPPEEN-OAHLLOKOSA-N -1 3 388.273 3.080 20 0 GGADHM Cc1nc2cc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)ccc2s1 ZINC000826328362 609366678 /nfs/dbraw/zinc/36/66/78/609366678.db2.gz OQGDLUYKLZUGNW-UHFFFAOYSA-N -1 3 383.412 3.246 20 0 GGADHM Cc1nc2cc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)ccc2s1 ZINC000826328362 609366680 /nfs/dbraw/zinc/36/66/80/609366680.db2.gz OQGDLUYKLZUGNW-UHFFFAOYSA-N -1 3 383.412 3.246 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(c3ccccn3)CC2)cc1-c1nnn[n-]1 ZINC000824329410 609367997 /nfs/dbraw/zinc/36/79/97/609367997.db2.gz PEYHFGRPLGHNSI-UHFFFAOYSA-N -1 3 379.468 3.130 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(c3ccccn3)CC2)cc1-c1nn[n-]n1 ZINC000824329410 609368002 /nfs/dbraw/zinc/36/80/02/609368002.db2.gz PEYHFGRPLGHNSI-UHFFFAOYSA-N -1 3 379.468 3.130 20 0 GGADHM Cc1cc(CN(C)C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)no1 ZINC000826266407 609374894 /nfs/dbraw/zinc/37/48/94/609374894.db2.gz NTTPFVGVPZHXHA-UHFFFAOYSA-N -1 3 390.403 3.228 20 0 GGADHM Cc1cc(CN(C)C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)no1 ZINC000826266407 609374896 /nfs/dbraw/zinc/37/48/96/609374896.db2.gz NTTPFVGVPZHXHA-UHFFFAOYSA-N -1 3 390.403 3.228 20 0 GGADHM CN(C[C@@H]1CCCCO1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825908705 609375684 /nfs/dbraw/zinc/37/56/84/609375684.db2.gz LDZBWIBPBBXAJY-HNNXBMFYSA-N -1 3 393.447 3.300 20 0 GGADHM CN(C[C@@H]1CCCCO1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825908705 609375687 /nfs/dbraw/zinc/37/56/87/609375687.db2.gz LDZBWIBPBBXAJY-HNNXBMFYSA-N -1 3 393.447 3.300 20 0 GGADHM O=C(CSC[C@@H]1CCc2ccccc2C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826419664 609376798 /nfs/dbraw/zinc/37/67/98/609376798.db2.gz GXOIGRKQHCJUSL-MRXNPFEDSA-N -1 3 393.516 3.021 20 0 GGADHM O=C(CSC[C@@H]1CCc2ccccc2C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826419664 609376800 /nfs/dbraw/zinc/37/68/00/609376800.db2.gz GXOIGRKQHCJUSL-MRXNPFEDSA-N -1 3 393.516 3.021 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCCOc2c(F)cccc21 ZINC000826454237 609382078 /nfs/dbraw/zinc/38/20/78/609382078.db2.gz OLEYNGZXIDXBAT-HNNXBMFYSA-N -1 3 386.362 3.180 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCCOc2c(F)cccc21 ZINC000826454237 609382081 /nfs/dbraw/zinc/38/20/81/609382081.db2.gz OLEYNGZXIDXBAT-HNNXBMFYSA-N -1 3 386.362 3.180 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(C)c1F ZINC000825391357 609393682 /nfs/dbraw/zinc/39/36/82/609393682.db2.gz YKDUTMGFZRYFMU-CYBMUJFWSA-N -1 3 389.456 3.086 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(C)c1F ZINC000825391357 609393683 /nfs/dbraw/zinc/39/36/83/609393683.db2.gz YKDUTMGFZRYFMU-CYBMUJFWSA-N -1 3 389.456 3.086 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H]1F ZINC000824955506 609401121 /nfs/dbraw/zinc/40/11/21/609401121.db2.gz PAKLVUKKZGYKHN-CZUORRHYSA-N -1 3 381.411 3.479 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H]1F ZINC000824955506 609401124 /nfs/dbraw/zinc/40/11/24/609401124.db2.gz PAKLVUKKZGYKHN-CZUORRHYSA-N -1 3 381.411 3.479 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1F ZINC000824957336 609401198 /nfs/dbraw/zinc/40/11/98/609401198.db2.gz XHILBOYPZJDMCD-ACJLOTCBSA-N -1 3 380.427 3.430 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824957772 609401264 /nfs/dbraw/zinc/40/12/64/609401264.db2.gz ZKZLQMJWUFEYIJ-LIRRHRJNSA-N -1 3 395.438 3.266 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824957772 609401265 /nfs/dbraw/zinc/40/12/65/609401265.db2.gz ZKZLQMJWUFEYIJ-LIRRHRJNSA-N -1 3 395.438 3.266 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000824216708 609402295 /nfs/dbraw/zinc/40/22/95/609402295.db2.gz VJLVHKPYKJMOOG-JXFKEZNVSA-N -1 3 395.507 3.324 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCO1 ZINC000824216708 609402298 /nfs/dbraw/zinc/40/22/98/609402298.db2.gz VJLVHKPYKJMOOG-JXFKEZNVSA-N -1 3 395.507 3.324 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cncc(F)c1 ZINC000824319113 609402418 /nfs/dbraw/zinc/40/24/18/609402418.db2.gz GIOJLMZXOJEEFD-LLVKDONJSA-N -1 3 385.403 3.071 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824225023 609402679 /nfs/dbraw/zinc/40/26/79/609402679.db2.gz RJJNGHAOPBTOQD-IBGZPJMESA-N -1 3 393.447 3.156 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824225023 609402680 /nfs/dbraw/zinc/40/26/80/609402680.db2.gz RJJNGHAOPBTOQD-IBGZPJMESA-N -1 3 393.447 3.156 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)c1nc2ccccc2o1 ZINC000824738444 609402969 /nfs/dbraw/zinc/40/29/69/609402969.db2.gz OVNXGUDZOOWJGR-VXGBXAGGSA-N -1 3 379.376 3.080 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824216141 609404665 /nfs/dbraw/zinc/40/46/65/609404665.db2.gz OGVZGDYOQSIUBY-WBMJQRKESA-N -1 3 378.860 3.405 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824216141 609404668 /nfs/dbraw/zinc/40/46/68/609404668.db2.gz OGVZGDYOQSIUBY-WBMJQRKESA-N -1 3 378.860 3.405 20 0 GGADHM CC(C)[C@H]1C[C@@H](COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824216468 609407076 /nfs/dbraw/zinc/40/70/76/609407076.db2.gz RXYQSHQLSBNMLJ-WMLDXEAASA-N -1 3 388.468 3.019 20 0 GGADHM CC(C)[C@H]1C[C@@H](COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824216468 609407078 /nfs/dbraw/zinc/40/70/78/609407078.db2.gz RXYQSHQLSBNMLJ-WMLDXEAASA-N -1 3 388.468 3.019 20 0 GGADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccc(CO)cc2)n1 ZINC000826262194 609417333 /nfs/dbraw/zinc/41/73/33/609417333.db2.gz HGYBIFKNEWAGDK-UHFFFAOYSA-N -1 3 381.383 3.374 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1cccnc1OC1CCCC1 ZINC000824019813 609421319 /nfs/dbraw/zinc/42/13/19/609421319.db2.gz PHIFWZBLEWSDRW-UHFFFAOYSA-N -1 3 378.436 3.398 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1cccnc1OC1CCCC1 ZINC000824019813 609421322 /nfs/dbraw/zinc/42/13/22/609421322.db2.gz PHIFWZBLEWSDRW-UHFFFAOYSA-N -1 3 378.436 3.398 20 0 GGADHM Cc1nc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323595 609426090 /nfs/dbraw/zinc/42/60/90/609426090.db2.gz KADPLXLVRODXQT-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1nc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323595 609426094 /nfs/dbraw/zinc/42/60/94/609426094.db2.gz KADPLXLVRODXQT-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1nc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)s1 ZINC000489452663 609427063 /nfs/dbraw/zinc/42/70/63/609427063.db2.gz OOKUVGGXALKXSR-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1nc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)s1 ZINC000489452663 609427066 /nfs/dbraw/zinc/42/70/66/609427066.db2.gz OOKUVGGXALKXSR-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000824506029 609430836 /nfs/dbraw/zinc/43/08/36/609430836.db2.gz JZTAZTKVSAMIQC-NEPJUHHUSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000824506029 609430837 /nfs/dbraw/zinc/43/08/37/609430837.db2.gz JZTAZTKVSAMIQC-NEPJUHHUSA-N -1 3 392.891 3.260 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccn(-c2ccc(F)cc2)n1 ZINC000825632353 609436973 /nfs/dbraw/zinc/43/69/73/609436973.db2.gz PGESLVONDUEYRE-UHFFFAOYSA-N -1 3 379.399 3.202 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccn(-c2ccc(F)cc2)n1 ZINC000825632353 609436976 /nfs/dbraw/zinc/43/69/76/609436976.db2.gz PGESLVONDUEYRE-UHFFFAOYSA-N -1 3 379.399 3.202 20 0 GGADHM CC(C)Oc1ccc(NCc2ccn(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000824328870 609439405 /nfs/dbraw/zinc/43/94/05/609439405.db2.gz CLPQCCXFFDYABG-UHFFFAOYSA-N -1 3 375.436 3.452 20 0 GGADHM CC(C)Oc1ccc(NCc2ccn(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000824328870 609439407 /nfs/dbraw/zinc/43/94/07/609439407.db2.gz CLPQCCXFFDYABG-UHFFFAOYSA-N -1 3 375.436 3.452 20 0 GGADHM C[C@H](NC(=O)NCc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499362 609441307 /nfs/dbraw/zinc/44/13/07/609441307.db2.gz OCHYGKYMJCCEKN-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@H](NC(=O)NCc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499362 609441308 /nfs/dbraw/zinc/44/13/08/609441308.db2.gz OCHYGKYMJCCEKN-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826459889 609442611 /nfs/dbraw/zinc/44/26/11/609442611.db2.gz DKXPZUPERSZPDX-UHFFFAOYSA-N -1 3 385.840 3.148 20 0 GGADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826459889 609442613 /nfs/dbraw/zinc/44/26/13/609442613.db2.gz DKXPZUPERSZPDX-UHFFFAOYSA-N -1 3 385.840 3.148 20 0 GGADHM CSCCCCCCNC(=S)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826228045 609444120 /nfs/dbraw/zinc/44/41/20/609444120.db2.gz CJVIEPLOZQKCHI-ZDUSSCGKSA-N -1 3 378.571 3.315 20 0 GGADHM CSCCCCCCNC(=S)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826228045 609444122 /nfs/dbraw/zinc/44/41/22/609444122.db2.gz CJVIEPLOZQKCHI-ZDUSSCGKSA-N -1 3 378.571 3.315 20 0 GGADHM CSCCCCCCNC(=S)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826228600 609444329 /nfs/dbraw/zinc/44/43/29/609444329.db2.gz UNKBIMYJGZMANW-CYBMUJFWSA-N -1 3 378.571 3.315 20 0 GGADHM CSCCCCCCNC(=S)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826228600 609444331 /nfs/dbraw/zinc/44/43/31/609444331.db2.gz UNKBIMYJGZMANW-CYBMUJFWSA-N -1 3 378.571 3.315 20 0 GGADHM Clc1ccc(-n2ccc(NCc3nc4ccccc4o3)n2)c(-c2nnn[n-]2)c1 ZINC000826351452 609447002 /nfs/dbraw/zinc/44/70/02/609447002.db2.gz NBVDYGZOZQVCGB-UHFFFAOYSA-N -1 3 392.810 3.459 20 0 GGADHM Clc1ccc(-n2ccc(NCc3nc4ccccc4o3)n2)c(-c2nn[n-]n2)c1 ZINC000826351452 609447003 /nfs/dbraw/zinc/44/70/03/609447003.db2.gz NBVDYGZOZQVCGB-UHFFFAOYSA-N -1 3 392.810 3.459 20 0 GGADHM Clc1ccc(-n2ccc(NC[C@@H]3CC3(Cl)Cl)n2)c(-c2nnn[n-]2)c1 ZINC000826351367 609447043 /nfs/dbraw/zinc/44/70/43/609447043.db2.gz KAJNBNDHGLKBNQ-QMMMGPOBSA-N -1 3 384.658 3.312 20 0 GGADHM Clc1ccc(-n2ccc(NC[C@@H]3CC3(Cl)Cl)n2)c(-c2nn[n-]n2)c1 ZINC000826351367 609447044 /nfs/dbraw/zinc/44/70/44/609447044.db2.gz KAJNBNDHGLKBNQ-QMMMGPOBSA-N -1 3 384.658 3.312 20 0 GGADHM COc1ccc(F)cc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826209302 609449404 /nfs/dbraw/zinc/44/94/04/609449404.db2.gz VXOXCEBJFNPRNB-UHFFFAOYSA-N -1 3 399.817 3.466 20 0 GGADHM COc1ccc(F)cc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826209302 609449406 /nfs/dbraw/zinc/44/94/06/609449406.db2.gz VXOXCEBJFNPRNB-UHFFFAOYSA-N -1 3 399.817 3.466 20 0 GGADHM Cc1nnc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1C1CC1 ZINC000826336243 609451631 /nfs/dbraw/zinc/45/16/31/609451631.db2.gz SIVJETPBJJNQKK-UHFFFAOYSA-N -1 3 381.387 3.413 20 0 GGADHM Cc1nnc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1C1CC1 ZINC000826336243 609451633 /nfs/dbraw/zinc/45/16/33/609451633.db2.gz SIVJETPBJJNQKK-UHFFFAOYSA-N -1 3 381.387 3.413 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)Nc1ccccc1Cl ZINC000826443774 609453520 /nfs/dbraw/zinc/45/35/20/609453520.db2.gz CMZACHYIXCVJRW-UHFFFAOYSA-N -1 3 394.826 3.232 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)Nc1ccccc1Cl ZINC000826443774 609453523 /nfs/dbraw/zinc/45/35/23/609453523.db2.gz CMZACHYIXCVJRW-UHFFFAOYSA-N -1 3 394.826 3.232 20 0 GGADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826306402 609454271 /nfs/dbraw/zinc/45/42/71/609454271.db2.gz XXOQDCLNECAYFM-UHFFFAOYSA-N -1 3 390.451 3.239 20 0 GGADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826306402 609454273 /nfs/dbraw/zinc/45/42/73/609454273.db2.gz XXOQDCLNECAYFM-UHFFFAOYSA-N -1 3 390.451 3.239 20 0 GGADHM C[C@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000824662185 609458395 /nfs/dbraw/zinc/45/83/95/609458395.db2.gz FGYVFTIVXRCWMN-JTQLQIEISA-N -1 3 384.241 3.450 20 0 GGADHM C[C@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000824662185 609458396 /nfs/dbraw/zinc/45/83/96/609458396.db2.gz FGYVFTIVXRCWMN-JTQLQIEISA-N -1 3 384.241 3.450 20 0 GGADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000825050363 609461268 /nfs/dbraw/zinc/46/12/68/609461268.db2.gz IJIZAGLSVJXXHR-CYBMUJFWSA-N -1 3 390.451 3.111 20 0 GGADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000825050363 609461272 /nfs/dbraw/zinc/46/12/72/609461272.db2.gz IJIZAGLSVJXXHR-CYBMUJFWSA-N -1 3 390.451 3.111 20 0 GGADHM Cc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1-n1nnnc1C(C)C ZINC000826271230 609481593 /nfs/dbraw/zinc/48/15/93/609481593.db2.gz IYMMBVLHSXWERY-UHFFFAOYSA-N -1 3 393.430 3.025 20 0 GGADHM Cc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1-n1nnnc1C(C)C ZINC000826271230 609481594 /nfs/dbraw/zinc/48/15/94/609481594.db2.gz IYMMBVLHSXWERY-UHFFFAOYSA-N -1 3 393.430 3.025 20 0 GGADHM CCn1cc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000825799448 609482559 /nfs/dbraw/zinc/48/25/59/609482559.db2.gz KTJPTNSCEREQKC-UHFFFAOYSA-N -1 3 375.436 3.274 20 0 GGADHM CCn1cc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000825799448 609482562 /nfs/dbraw/zinc/48/25/62/609482562.db2.gz KTJPTNSCEREQKC-UHFFFAOYSA-N -1 3 375.436 3.274 20 0 GGADHM CCc1nn(C)cc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825762952 609483079 /nfs/dbraw/zinc/48/30/79/609483079.db2.gz LVAXORKAJDXMGI-UHFFFAOYSA-N -1 3 389.463 3.354 20 0 GGADHM CCc1nn(C)cc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825762952 609483081 /nfs/dbraw/zinc/48/30/81/609483081.db2.gz LVAXORKAJDXMGI-UHFFFAOYSA-N -1 3 389.463 3.354 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccc(F)cn1 ZINC000826457089 609489205 /nfs/dbraw/zinc/48/92/05/609489205.db2.gz LIWABWIORXJRKR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccc(F)cn1 ZINC000826457089 609489208 /nfs/dbraw/zinc/48/92/08/609489208.db2.gz LIWABWIORXJRKR-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM COc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc2c1OCO2 ZINC000826179214 609491328 /nfs/dbraw/zinc/49/13/28/609491328.db2.gz DUPJXIPOHXRIPK-UHFFFAOYSA-N -1 3 383.408 3.003 20 0 GGADHM COc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc2c1OCO2 ZINC000826179214 609491330 /nfs/dbraw/zinc/49/13/30/609491330.db2.gz DUPJXIPOHXRIPK-UHFFFAOYSA-N -1 3 383.408 3.003 20 0 GGADHM COCCOc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000826162428 609491800 /nfs/dbraw/zinc/49/18/00/609491800.db2.gz BOJIPZKKBSMGKI-UHFFFAOYSA-N -1 3 383.452 3.291 20 0 GGADHM COCCOc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000826162428 609491803 /nfs/dbraw/zinc/49/18/03/609491803.db2.gz BOJIPZKKBSMGKI-UHFFFAOYSA-N -1 3 383.452 3.291 20 0 GGADHM CC(C)Oc1ccc(NCc2cc(-c3cccnc3)n[nH]2)cc1-c1nnn[n-]1 ZINC000824329236 609492342 /nfs/dbraw/zinc/49/23/42/609492342.db2.gz MPNRWQBCLLABRV-UHFFFAOYSA-N -1 3 376.424 3.051 20 0 GGADHM CC(C)Oc1ccc(NCc2cc(-c3cccnc3)n[nH]2)cc1-c1nn[n-]n1 ZINC000824329236 609492344 /nfs/dbraw/zinc/49/23/44/609492344.db2.gz MPNRWQBCLLABRV-UHFFFAOYSA-N -1 3 376.424 3.051 20 0 GGADHM COCOc1ccc(OC)cc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826164053 609493021 /nfs/dbraw/zinc/49/30/21/609493021.db2.gz XDAGSXGEQZFGDR-UHFFFAOYSA-N -1 3 399.451 3.257 20 0 GGADHM COCOc1ccc(OC)cc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826164053 609493022 /nfs/dbraw/zinc/49/30/22/609493022.db2.gz XDAGSXGEQZFGDR-UHFFFAOYSA-N -1 3 399.451 3.257 20 0 GGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(OC)c1OC ZINC000826203771 609493330 /nfs/dbraw/zinc/49/33/30/609493330.db2.gz FRJZDDQNVYDKPL-UHFFFAOYSA-N -1 3 399.451 3.292 20 0 GGADHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000826203771 609493333 /nfs/dbraw/zinc/49/33/33/609493333.db2.gz FRJZDDQNVYDKPL-UHFFFAOYSA-N -1 3 399.451 3.292 20 0 GGADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215465 609495184 /nfs/dbraw/zinc/49/51/84/609495184.db2.gz PNNZGZSCXWUOLF-FZKQIMNGSA-N -1 3 378.436 3.490 20 0 GGADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215465 609495186 /nfs/dbraw/zinc/49/51/86/609495186.db2.gz PNNZGZSCXWUOLF-FZKQIMNGSA-N -1 3 378.436 3.490 20 0 GGADHM Fc1cc(Br)cc2c1CN(Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000826372347 609495929 /nfs/dbraw/zinc/49/59/29/609495929.db2.gz SHHYFEOCMZISTB-UHFFFAOYSA-N -1 3 394.273 3.388 20 0 GGADHM COCc1noc([C@@H](C)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826165671 609506599 /nfs/dbraw/zinc/50/65/99/609506599.db2.gz DWBMIXGWLSLZJT-GFCCVEGCSA-N -1 3 393.407 3.362 20 0 GGADHM Cc1ccc(C(F)(F)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000826283975 609509145 /nfs/dbraw/zinc/50/91/45/609509145.db2.gz GRQUHGQVIBTMIF-UHFFFAOYSA-N -1 3 375.404 3.456 20 0 GGADHM Cc1ccc(C(F)(F)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000826283975 609509146 /nfs/dbraw/zinc/50/91/46/609509146.db2.gz GRQUHGQVIBTMIF-UHFFFAOYSA-N -1 3 375.404 3.456 20 0 GGADHM CCC[C@@H]1C[C@H](C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OCC)CCO1 ZINC000825253522 609511949 /nfs/dbraw/zinc/51/19/49/609511949.db2.gz NOUYZYPHWUXWIL-DGCLKSJQSA-N -1 3 394.859 3.420 20 0 GGADHM CCC[C@@H]1C[C@H](C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OCC)CCO1 ZINC000825253522 609511951 /nfs/dbraw/zinc/51/19/51/609511951.db2.gz NOUYZYPHWUXWIL-DGCLKSJQSA-N -1 3 394.859 3.420 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1C ZINC000825380524 609516998 /nfs/dbraw/zinc/51/69/98/609516998.db2.gz PUNYFDYGJHYWFG-UHFFFAOYSA-N -1 3 387.447 3.336 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1C ZINC000825380524 609517002 /nfs/dbraw/zinc/51/70/02/609517002.db2.gz PUNYFDYGJHYWFG-UHFFFAOYSA-N -1 3 387.447 3.336 20 0 GGADHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256909 609522114 /nfs/dbraw/zinc/52/21/14/609522114.db2.gz GAOBQVJGEVBJBS-CJNGLKHVSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256909 609522115 /nfs/dbraw/zinc/52/21/15/609522115.db2.gz GAOBQVJGEVBJBS-CJNGLKHVSA-N -1 3 379.468 3.012 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000826158167 609523822 /nfs/dbraw/zinc/52/38/22/609523822.db2.gz DKPVAAOQVSCINK-YJBOKZPZSA-N -1 3 385.512 3.304 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000826158167 609523823 /nfs/dbraw/zinc/52/38/23/609523823.db2.gz DKPVAAOQVSCINK-YJBOKZPZSA-N -1 3 385.512 3.304 20 0 GGADHM Cc1ccnc(N[C@H](c2nccn2C)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826311656 609525744 /nfs/dbraw/zinc/52/57/44/609525744.db2.gz KIQKCVLBQPOGHR-HNNXBMFYSA-N -1 3 380.843 3.159 20 0 GGADHM Cc1ccnc(N[C@H](c2nccn2C)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826311656 609525746 /nfs/dbraw/zinc/52/57/46/609525746.db2.gz KIQKCVLBQPOGHR-HNNXBMFYSA-N -1 3 380.843 3.159 20 0 GGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825192728 609527620 /nfs/dbraw/zinc/52/76/20/609527620.db2.gz HTSALMNARKRZFI-YOEHRIQHSA-N -1 3 379.468 3.059 20 0 GGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825192728 609527621 /nfs/dbraw/zinc/52/76/21/609527621.db2.gz HTSALMNARKRZFI-YOEHRIQHSA-N -1 3 379.468 3.059 20 0 GGADHM Cc1cc(C(=O)N2C[C@@H](C)c3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257958 609530370 /nfs/dbraw/zinc/53/03/70/609530370.db2.gz UZTRRXJKYSBUNW-CYBMUJFWSA-N -1 3 385.431 3.125 20 0 GGADHM Cc1cc(C(=O)N2C[C@@H](C)c3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257958 609530373 /nfs/dbraw/zinc/53/03/73/609530373.db2.gz UZTRRXJKYSBUNW-CYBMUJFWSA-N -1 3 385.431 3.125 20 0 GGADHM Cc1cc(C(=O)N(C)c2cc(C)ccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826284876 609532434 /nfs/dbraw/zinc/53/24/34/609532434.db2.gz IUKOQJPJTLSHQX-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM Cc1cc(C(=O)N(C)c2cc(C)ccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826284876 609532435 /nfs/dbraw/zinc/53/24/35/609532435.db2.gz IUKOQJPJTLSHQX-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000508606879 609533685 /nfs/dbraw/zinc/53/36/85/609533685.db2.gz SNCPUWGAADXALN-UHFFFAOYSA-N -1 3 385.811 3.130 20 0 GGADHM COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000508606879 609533687 /nfs/dbraw/zinc/53/36/87/609533687.db2.gz SNCPUWGAADXALN-UHFFFAOYSA-N -1 3 385.811 3.130 20 0 GGADHM O=S(=O)(Oc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493433 609535459 /nfs/dbraw/zinc/53/54/59/609535459.db2.gz KGAXCZPRUSVPDC-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493433 609535461 /nfs/dbraw/zinc/53/54/61/609535461.db2.gz KGAXCZPRUSVPDC-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1C1CCCCC1 ZINC000826494560 609540011 /nfs/dbraw/zinc/54/00/11/609540011.db2.gz HYPKMYMWNWOBJR-HNNXBMFYSA-N -1 3 395.916 3.254 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1C1CCCCC1 ZINC000826494560 609540012 /nfs/dbraw/zinc/54/00/12/609540012.db2.gz HYPKMYMWNWOBJR-HNNXBMFYSA-N -1 3 395.916 3.254 20 0 GGADHM CCn1c(CCNc2ncc(Cl)c(C)c2-c2nnn[n-]2)nc2ccccc21 ZINC000825787767 609540585 /nfs/dbraw/zinc/54/05/85/609540585.db2.gz LGXSDRKZXQPMPU-UHFFFAOYSA-N -1 3 382.859 3.248 20 0 GGADHM CCn1c(CCNc2ncc(Cl)c(C)c2-c2nn[n-]n2)nc2ccccc21 ZINC000825787767 609540586 /nfs/dbraw/zinc/54/05/86/609540586.db2.gz LGXSDRKZXQPMPU-UHFFFAOYSA-N -1 3 382.859 3.248 20 0 GGADHM Cc1c(Cl)cnc(NCc2cccnc2N2CCCCC2)c1-c1nnn[n-]1 ZINC000826240202 609541415 /nfs/dbraw/zinc/54/14/15/609541415.db2.gz IJBMOQQEKUMWGB-UHFFFAOYSA-N -1 3 384.875 3.221 20 0 GGADHM Cc1c(Cl)cnc(NCc2cccnc2N2CCCCC2)c1-c1nn[n-]n1 ZINC000826240202 609541417 /nfs/dbraw/zinc/54/14/17/609541417.db2.gz IJBMOQQEKUMWGB-UHFFFAOYSA-N -1 3 384.875 3.221 20 0 GGADHM Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826306050 609541521 /nfs/dbraw/zinc/54/15/21/609541521.db2.gz OQSPRDXLPXOVCG-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826306050 609541523 /nfs/dbraw/zinc/54/15/23/609541523.db2.gz OQSPRDXLPXOVCG-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825059819 609544950 /nfs/dbraw/zinc/54/49/50/609544950.db2.gz KUSHJTLCFMMULO-GHMZBOCLSA-N -1 3 383.905 3.108 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825059819 609544951 /nfs/dbraw/zinc/54/49/51/609544951.db2.gz KUSHJTLCFMMULO-GHMZBOCLSA-N -1 3 383.905 3.108 20 0 GGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826298596 609545742 /nfs/dbraw/zinc/54/57/42/609545742.db2.gz AINNESQUQVDSKB-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826298596 609545743 /nfs/dbraw/zinc/54/57/43/609545743.db2.gz AINNESQUQVDSKB-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@]2(CC=CCC2)C1 ZINC000826494862 609549052 /nfs/dbraw/zinc/54/90/52/609549052.db2.gz SENRWKCLSWHZQM-QGZVFWFLSA-N -1 3 393.900 3.031 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@]2(CC=CCC2)C1 ZINC000826494862 609549054 /nfs/dbraw/zinc/54/90/54/609549054.db2.gz SENRWKCLSWHZQM-QGZVFWFLSA-N -1 3 393.900 3.031 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCc3c2cccc3C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826305370 609554140 /nfs/dbraw/zinc/55/41/40/609554140.db2.gz UIHRLKVQBHZMLV-IBGZPJMESA-N -1 3 399.458 3.087 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCc3c2cccc3C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826305370 609554141 /nfs/dbraw/zinc/55/41/41/609554141.db2.gz UIHRLKVQBHZMLV-IBGZPJMESA-N -1 3 399.458 3.087 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCc3c2cccc3C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826305371 609554163 /nfs/dbraw/zinc/55/41/63/609554163.db2.gz UIHRLKVQBHZMLV-LJQANCHMSA-N -1 3 399.458 3.087 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCc3c2cccc3C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826305371 609554166 /nfs/dbraw/zinc/55/41/66/609554166.db2.gz UIHRLKVQBHZMLV-LJQANCHMSA-N -1 3 399.458 3.087 20 0 GGADHM Cc1ccnc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000826312563 609555892 /nfs/dbraw/zinc/55/58/92/609555892.db2.gz IHVUWBYJSDIMAB-ZDUSSCGKSA-N -1 3 389.385 3.280 20 0 GGADHM Cc1ccnc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1-c1nn[n-]n1 ZINC000826312563 609555894 /nfs/dbraw/zinc/55/58/94/609555894.db2.gz IHVUWBYJSDIMAB-ZDUSSCGKSA-N -1 3 389.385 3.280 20 0 GGADHM C[C@@H]1CC(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C[C@@H](C)C1 ZINC000824877593 609559247 /nfs/dbraw/zinc/55/92/47/609559247.db2.gz YYDZXTASBFQORG-GJZGRUSLSA-N -1 3 383.496 3.309 20 0 GGADHM CC[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000825195243 609560535 /nfs/dbraw/zinc/56/05/35/609560535.db2.gz VQAKTEWXCMBIPO-HNNXBMFYSA-N -1 3 379.468 3.013 20 0 GGADHM CC[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000825195243 609560538 /nfs/dbraw/zinc/56/05/38/609560538.db2.gz VQAKTEWXCMBIPO-HNNXBMFYSA-N -1 3 379.468 3.013 20 0 GGADHM CCN(CC(=O)Nc1c(C)cccc1C)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825394979 609561330 /nfs/dbraw/zinc/56/13/30/609561330.db2.gz JDDWGYCKLYOMJH-UHFFFAOYSA-N -1 3 399.886 3.305 20 0 GGADHM CCN(CC(=O)Nc1c(C)cccc1C)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825394979 609561332 /nfs/dbraw/zinc/56/13/32/609561332.db2.gz JDDWGYCKLYOMJH-UHFFFAOYSA-N -1 3 399.886 3.305 20 0 GGADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000825149434 609562598 /nfs/dbraw/zinc/56/25/98/609562598.db2.gz YIWYKEFDILANNL-SWLSCSKDSA-N -1 3 394.813 3.426 20 0 GGADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000825149434 609562602 /nfs/dbraw/zinc/56/26/02/609562602.db2.gz YIWYKEFDILANNL-SWLSCSKDSA-N -1 3 394.813 3.426 20 0 GGADHM Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258195 609565526 /nfs/dbraw/zinc/56/55/26/609565526.db2.gz DFECQQSCQRJXPH-OAHLLOKOSA-N -1 3 399.458 3.120 20 0 GGADHM Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258195 609565528 /nfs/dbraw/zinc/56/55/28/609565528.db2.gz DFECQQSCQRJXPH-OAHLLOKOSA-N -1 3 399.458 3.120 20 0 GGADHM Cc1cc(C(=O)N2CCCc3ccc(C)cc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826293756 609573407 /nfs/dbraw/zinc/57/34/07/609573407.db2.gz AKMSXLGDNFEVOT-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM Cc1cc(C(=O)N2CCCc3ccc(C)cc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826293756 609573409 /nfs/dbraw/zinc/57/34/09/609573409.db2.gz AKMSXLGDNFEVOT-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM O=C1[C@H](Nc2nccc3sccc32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478071 609575429 /nfs/dbraw/zinc/57/54/29/609575429.db2.gz TWJYMGNXYVQJKG-OAHLLOKOSA-N -1 3 391.460 3.084 20 0 GGADHM O=C1[C@H](Nc2nccc3sccc32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478071 609575430 /nfs/dbraw/zinc/57/54/30/609575430.db2.gz TWJYMGNXYVQJKG-OAHLLOKOSA-N -1 3 391.460 3.084 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H](CC(C)C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257616 609577185 /nfs/dbraw/zinc/57/71/85/609577185.db2.gz JGGYOPLCYBVVLM-INIZCTEOSA-N -1 3 393.495 3.259 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H](CC(C)C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257616 609577188 /nfs/dbraw/zinc/57/71/88/609577188.db2.gz JGGYOPLCYBVVLM-INIZCTEOSA-N -1 3 393.495 3.259 20 0 GGADHM Cc1c(Cl)cnc(N(Cc2cc[nH]n2)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826237355 609579973 /nfs/dbraw/zinc/57/99/73/609579973.db2.gz WUZULZLAELBJHD-UHFFFAOYSA-N -1 3 380.843 3.153 20 0 GGADHM Cc1c(Cl)cnc(N(Cc2cc[nH]n2)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826237355 609579975 /nfs/dbraw/zinc/57/99/75/609579975.db2.gz WUZULZLAELBJHD-UHFFFAOYSA-N -1 3 380.843 3.153 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825183443 609583040 /nfs/dbraw/zinc/58/30/40/609583040.db2.gz OQZMRMFGVMIDKT-ZWKOTPCHSA-N -1 3 391.475 3.355 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825183443 609583041 /nfs/dbraw/zinc/58/30/41/609583041.db2.gz OQZMRMFGVMIDKT-ZWKOTPCHSA-N -1 3 391.475 3.355 20 0 GGADHM CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380849 609588989 /nfs/dbraw/zinc/58/89/89/609588989.db2.gz VSGYBFUSIDJIMN-GOSISDBHSA-N -1 3 377.448 3.427 20 0 GGADHM CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380849 609588992 /nfs/dbraw/zinc/58/89/92/609588992.db2.gz VSGYBFUSIDJIMN-GOSISDBHSA-N -1 3 377.448 3.427 20 0 GGADHM C[C@H](NC(=O)N1CC[C@H](COc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489577 609592885 /nfs/dbraw/zinc/59/28/85/609592885.db2.gz LVZOHNAMAYWYMG-HOTGVXAUSA-N -1 3 392.463 3.038 20 0 GGADHM C[C@H](NC(=O)N1CC[C@H](COc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489577 609592886 /nfs/dbraw/zinc/59/28/86/609592886.db2.gz LVZOHNAMAYWYMG-HOTGVXAUSA-N -1 3 392.463 3.038 20 0 GGADHM CC/C(C)=C(\C)C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000825049544 609594964 /nfs/dbraw/zinc/59/49/64/609594964.db2.gz CLOGTKAWGNVJRJ-CMDGGOBGSA-N -1 3 381.230 3.290 20 0 GGADHM CC/C(C)=C(\C)C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000825049544 609594966 /nfs/dbraw/zinc/59/49/66/609594966.db2.gz CLOGTKAWGNVJRJ-CMDGGOBGSA-N -1 3 381.230 3.290 20 0 GGADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215259 609600669 /nfs/dbraw/zinc/60/06/69/609600669.db2.gz KEAGPKACHSBDOH-LIRRHRJNSA-N -1 3 392.463 3.168 20 0 GGADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215259 609600670 /nfs/dbraw/zinc/60/06/70/609600670.db2.gz KEAGPKACHSBDOH-LIRRHRJNSA-N -1 3 392.463 3.168 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nnn[n-]3)c1)[C@@H](C)C2 ZINC000826293809 609606639 /nfs/dbraw/zinc/60/66/39/609606639.db2.gz BXUXRLWHVUHPSB-CKFHNAJUSA-N -1 3 376.464 3.469 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nn[n-]n3)c1)[C@@H](C)C2 ZINC000826293809 609606641 /nfs/dbraw/zinc/60/66/41/609606641.db2.gz BXUXRLWHVUHPSB-CKFHNAJUSA-N -1 3 376.464 3.469 20 0 GGADHM Fc1cccc([C@@H](NCCOc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1F ZINC000826376979 609608324 /nfs/dbraw/zinc/60/83/24/609608324.db2.gz ZPZWZASHPIMOTH-OAHLLOKOSA-N -1 3 399.323 3.417 20 0 GGADHM Fc1cccc([C@@H](NCCOc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1F ZINC000826376979 609608327 /nfs/dbraw/zinc/60/83/27/609608327.db2.gz ZPZWZASHPIMOTH-OAHLLOKOSA-N -1 3 399.323 3.417 20 0 GGADHM Cc1cc(-n2cccn2)ccc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826256683 609608793 /nfs/dbraw/zinc/60/87/93/609608793.db2.gz VYQLIMBTQFAJRF-UHFFFAOYSA-N -1 3 388.431 3.037 20 0 GGADHM Cc1cc(-n2cccn2)ccc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826256683 609608794 /nfs/dbraw/zinc/60/87/94/609608794.db2.gz VYQLIMBTQFAJRF-UHFFFAOYSA-N -1 3 388.431 3.037 20 0 GGADHM COc1ccc(O[C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826210630 609614353 /nfs/dbraw/zinc/61/43/53/609614353.db2.gz YSIFIMHJCMNNCP-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(O[C@H](C)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826210630 609614354 /nfs/dbraw/zinc/61/43/54/609614354.db2.gz YSIFIMHJCMNNCP-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM C[C@H](Oc1ccccc1F)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824756948 609615861 /nfs/dbraw/zinc/61/58/61/609615861.db2.gz SPVXOYIYYJNNHJ-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@H](Oc1ccccc1F)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824756948 609615863 /nfs/dbraw/zinc/61/58/63/609615863.db2.gz SPVXOYIYYJNNHJ-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826340936 609616465 /nfs/dbraw/zinc/61/64/65/609616465.db2.gz PNRQMNKSTKHNFC-UHFFFAOYSA-N -1 3 399.794 3.362 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826340936 609616467 /nfs/dbraw/zinc/61/64/67/609616467.db2.gz PNRQMNKSTKHNFC-UHFFFAOYSA-N -1 3 399.794 3.362 20 0 GGADHM CCC(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000825034826 609616687 /nfs/dbraw/zinc/61/66/87/609616687.db2.gz RCKDKYRAVMFPHL-UHFFFAOYSA-N -1 3 385.811 3.226 20 0 GGADHM CCC(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000825034826 609616688 /nfs/dbraw/zinc/61/66/88/609616688.db2.gz RCKDKYRAVMFPHL-UHFFFAOYSA-N -1 3 385.811 3.226 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826215471 609617166 /nfs/dbraw/zinc/61/71/66/609617166.db2.gz PQXPHZCEMFUPAI-DOTOQJQBSA-N -1 3 384.823 3.376 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826215471 609617167 /nfs/dbraw/zinc/61/71/67/609617167.db2.gz PQXPHZCEMFUPAI-DOTOQJQBSA-N -1 3 384.823 3.376 20 0 GGADHM Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826337928 609617757 /nfs/dbraw/zinc/61/77/57/609617757.db2.gz FXUYMRCINFINOA-SECBINFHSA-N -1 3 375.816 3.362 20 0 GGADHM Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826337928 609617759 /nfs/dbraw/zinc/61/77/59/609617759.db2.gz FXUYMRCINFINOA-SECBINFHSA-N -1 3 375.816 3.362 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccncc1Br ZINC000826465508 609618032 /nfs/dbraw/zinc/61/80/32/609618032.db2.gz PXSXFFPKVYORSS-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccncc1Br ZINC000826465508 609618034 /nfs/dbraw/zinc/61/80/34/609618034.db2.gz PXSXFFPKVYORSS-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc2c(s1)CCOC2 ZINC000826465445 609619393 /nfs/dbraw/zinc/61/93/93/609619393.db2.gz NLTJVSKGUBFAQX-UHFFFAOYSA-N -1 3 376.825 3.011 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc2c(s1)CCOC2 ZINC000826465445 609619394 /nfs/dbraw/zinc/61/93/94/609619394.db2.gz NLTJVSKGUBFAQX-UHFFFAOYSA-N -1 3 376.825 3.011 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826465012 609623241 /nfs/dbraw/zinc/62/32/41/609623241.db2.gz VJWCIXITVPZLHT-GUDVDZBRSA-N -1 3 376.416 3.002 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826465012 609623242 /nfs/dbraw/zinc/62/32/42/609623242.db2.gz VJWCIXITVPZLHT-GUDVDZBRSA-N -1 3 376.416 3.002 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCO1 ZINC000825251180 609625091 /nfs/dbraw/zinc/62/50/91/609625091.db2.gz AIOKASFMMJLLSK-JSGCOSHPSA-N -1 3 396.394 3.107 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCO1 ZINC000825251180 609625093 /nfs/dbraw/zinc/62/50/93/609625093.db2.gz AIOKASFMMJLLSK-JSGCOSHPSA-N -1 3 396.394 3.107 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465085 609638646 /nfs/dbraw/zinc/63/86/46/609638646.db2.gz YFJVLVLEQSYEKY-FQEVSTJZSA-N -1 3 386.411 3.311 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465085 609638647 /nfs/dbraw/zinc/63/86/47/609638647.db2.gz YFJVLVLEQSYEKY-FQEVSTJZSA-N -1 3 386.411 3.311 20 0 GGADHM O[C@@H](COC1CCOCC1)CSc1nnc([N-]c2ccccc2F)s1 ZINC000531515633 650739962 /nfs/dbraw/zinc/73/99/62/650739962.db2.gz TWYNZRSJXHOKMJ-NSHDSACASA-N -1 3 385.486 3.069 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C2(c3cccc(Br)c3)CC2)[n-]n1 ZINC000540975979 650867176 /nfs/dbraw/zinc/86/71/76/650867176.db2.gz GSVBIRZLKUTECS-UHFFFAOYSA-N -1 3 378.226 3.019 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C2(c3cccc(Br)c3)CC2)n[n-]1 ZINC000540975979 650867177 /nfs/dbraw/zinc/86/71/77/650867177.db2.gz GSVBIRZLKUTECS-UHFFFAOYSA-N -1 3 378.226 3.019 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2F)[n-]n1 ZINC000611590605 651730782 /nfs/dbraw/zinc/73/07/82/651730782.db2.gz ITDFGPNDXZISQZ-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2F)n[n-]1 ZINC000611590605 651730787 /nfs/dbraw/zinc/73/07/87/651730787.db2.gz ITDFGPNDXZISQZ-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)n1 ZINC000053060890 1406279902 /nfs/dbraw/zinc/27/99/02/1406279902.db2.gz SQKSIVBKSAJKFR-LJQANCHMSA-N -1 3 388.427 3.455 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000053111481 1406295747 /nfs/dbraw/zinc/29/57/47/1406295747.db2.gz WDZPNOYBHCOMPS-UHFFFAOYSA-N -1 3 380.366 3.102 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3cccc(C)c3)CC2)cc1OC ZINC000053122430 1406301150 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20 0 GGADHM COc1cc(-c2ccccc2)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742798 1406499254 /nfs/dbraw/zinc/49/92/54/1406499254.db2.gz AMADWXARMKGQEC-UHFFFAOYSA-N -1 3 396.468 3.289 20 0 GGADHM CC(=O)Nc1ccc2nc(NC(=O)c3c[n-]c4ccccc4c3=O)sc2c1 ZINC000053794190 1406512329 /nfs/dbraw/zinc/51/23/29/1406512329.db2.gz UGKHNJHBKGDERF-UHFFFAOYSA-N -1 3 378.413 3.349 20 0 GGADHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1c[n-]c2ccccc2c1=O ZINC000053792344 1406512909 /nfs/dbraw/zinc/51/29/09/1406512909.db2.gz OOJQAAAVLMUWCJ-UHFFFAOYSA-N -1 3 379.397 3.161 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCSCC1 ZINC000053802834 1406519122 /nfs/dbraw/zinc/51/91/22/1406519122.db2.gz SGPBBJDTJXVHQL-UHFFFAOYSA-N -1 3 394.493 3.124 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1CO ZINC000054041059 1406600697 /nfs/dbraw/zinc/60/06/97/1406600697.db2.gz OCUCIYQZQBIONS-UHFFFAOYSA-N -1 3 391.367 3.277 20 0 GGADHM O=C([N-]NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccccc1F ZINC000054219473 1406654808 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1400229820 /nfs/dbraw/zinc/22/98/20/1400229820.db2.gz OWCZWEHGACXXKY-UHFFFAOYSA-N -1 3 399.476 3.101 20 0 GGADHM COc1ccc(C)cc1CN1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000029188793 1400256182 /nfs/dbraw/zinc/25/61/82/1400256182.db2.gz DRZRRGQZIFAEGH-UHFFFAOYSA-N -1 3 394.471 3.133 20 0 GGADHM Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4ccccc4[O-])CC3)n2)cc1 ZINC000029281013 1400273959 /nfs/dbraw/zinc/27/39/59/1400273959.db2.gz DCVJLJVCTJYWHO-MRXNPFEDSA-N -1 3 392.459 3.270 20 0 GGADHM Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4ccccc4[O-])CC3)n2)cc1 ZINC000029281016 1400274154 /nfs/dbraw/zinc/27/41/54/1400274154.db2.gz DCVJLJVCTJYWHO-INIZCTEOSA-N -1 3 392.459 3.270 20 0 GGADHM CCOc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(OCC)c1OCC ZINC000029388638 1400292012 /nfs/dbraw/zinc/29/20/12/1400292012.db2.gz COOQVFYDBOLJEM-UHFFFAOYSA-N -1 3 388.346 3.272 20 0 GGADHM CCOc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(OCC)c1OCC ZINC000029388638 1400292017 /nfs/dbraw/zinc/29/20/17/1400292017.db2.gz COOQVFYDBOLJEM-UHFFFAOYSA-N -1 3 388.346 3.272 20 0 GGADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)n1 ZINC000029403692 1400293806 /nfs/dbraw/zinc/29/38/06/1400293806.db2.gz RPELGCHTFICODM-UHFFFAOYSA-N -1 3 399.472 3.451 20 0 GGADHM O=C(Nc1ccccc1C(=O)N[N-]C(=O)c1ccccc1F)c1cccs1 ZINC000029604555 1400321241 /nfs/dbraw/zinc/32/12/41/1400321241.db2.gz XXJZXCFXKGSVAV-UHFFFAOYSA-N -1 3 383.404 3.214 20 0 GGADHM O=C(C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1 ZINC000029627472 1400325423 /nfs/dbraw/zinc/32/54/23/1400325423.db2.gz RVDWMYRBZXENNV-UHFFFAOYSA-N -1 3 398.297 3.250 20 0 GGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1-n1cccc1 ZINC000029690164 1400336817 /nfs/dbraw/zinc/33/68/17/1400336817.db2.gz XNQHEALPFMEOCF-UHFFFAOYSA-N -1 3 389.455 3.090 20 0 GGADHM CC(C)COc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000029687802 1400336965 /nfs/dbraw/zinc/33/69/65/1400336965.db2.gz DMBVSFNLRKLZFP-UHFFFAOYSA-N -1 3 382.460 3.025 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 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KXUYRHZSKJDFRS-ZDUSSCGKSA-N -1 3 390.480 3.494 20 0 GGADHM O=c1[n-]nc(SCc2cnn(-c3ccccc3)c2)n1CCc1ccccc1 ZINC000029835397 1400360281 /nfs/dbraw/zinc/36/02/81/1400360281.db2.gz YXJVPMIUZXYDGP-UHFFFAOYSA-N -1 3 377.473 3.292 20 0 GGADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000030014293 1400398175 /nfs/dbraw/zinc/39/81/75/1400398175.db2.gz LBBLJAWMUNVZRS-UHFFFAOYSA-N -1 3 377.400 3.251 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)SC)ccc2C)cc1 ZINC000056064217 1407186918 /nfs/dbraw/zinc/18/69/18/1407186918.db2.gz JKWAOQDVOJRMDT-ZDUSSCGKSA-N -1 3 394.518 3.494 20 0 GGADHM CCc1cc2c(CNc3ccc(OCC(=O)OC)cc3)cc(=O)oc2cc1[O-] ZINC000056155620 1407231832 /nfs/dbraw/zinc/23/18/32/1407231832.db2.gz SFSGFTFHFRKPFU-UHFFFAOYSA-N -1 3 383.400 3.225 20 0 GGADHM CCS(=O)(=O)Nc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000056198923 1407248768 /nfs/dbraw/zinc/24/87/68/1407248768.db2.gz HURMLLHWIWGCQG-UHFFFAOYSA-N -1 3 388.445 3.181 20 0 GGADHM 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CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000044260286 1403910059 /nfs/dbraw/zinc/91/00/59/1403910059.db2.gz LRNHUFHPTCADQG-UHFFFAOYSA-N -1 3 392.330 3.484 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1F ZINC000044279372 1403911714 /nfs/dbraw/zinc/91/17/14/1403911714.db2.gz PVDBRXRLQDFKKH-CYBMUJFWSA-N -1 3 398.463 3.113 20 0 GGADHM O=C([N-]NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1F ZINC000044279373 1403911904 /nfs/dbraw/zinc/91/19/04/1403911904.db2.gz PVDBRXRLQDFKKH-ZDUSSCGKSA-N -1 3 398.463 3.113 20 0 GGADHM O=C([N-]NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1Cl ZINC000044716231 1403989299 /nfs/dbraw/zinc/98/92/99/1403989299.db2.gz JEWXBGPTKWRCEJ-UHFFFAOYSA-N -1 3 380.835 3.478 20 0 GGADHM CCc1nc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)sc1C ZINC000044732736 1403990783 /nfs/dbraw/zinc/99/07/83/1403990783.db2.gz JMLCUKMBHKAPSU-UHFFFAOYSA-N -1 3 385.486 3.092 20 0 GGADHM CC(C)c1cc(C(=O)[N-]NC(=O)COc2ccccc2-c2ccccc2)n[nH]1 ZINC000044819691 1404007710 /nfs/dbraw/zinc/00/77/10/1404007710.db2.gz PVHVQPMVDUWZIC-UHFFFAOYSA-N -1 3 378.432 3.040 20 0 GGADHM C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000044881309 1404015989 /nfs/dbraw/zinc/01/59/89/1404015989.db2.gz NINMVDWPCWDRCZ-LLVKDONJSA-N -1 3 385.401 3.038 20 0 GGADHM O=C([N-]NC(=O)c1cc2c(s1)CCC2)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044920754 1404020898 /nfs/dbraw/zinc/02/08/98/1404020898.db2.gz GHKBRQNPZAXGDH-UHFFFAOYSA-N -1 3 386.864 3.151 20 0 GGADHM Cc1nc(-c2ccccc2)sc1C(=O)N[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000044977642 1404029101 /nfs/dbraw/zinc/02/91/01/1404029101.db2.gz AJIKKNJNPSDLPV-UHFFFAOYSA-N -1 3 388.430 3.163 20 0 GGADHM CC[C@H](C)NC(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000045101759 1404054693 /nfs/dbraw/zinc/05/46/93/1404054693.db2.gz JUAPSORIWVVVSY-XJKSGUPXSA-N -1 3 399.520 3.140 20 0 GGADHM CC[C@H](C)NC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000045101763 1404054927 /nfs/dbraw/zinc/05/49/27/1404054927.db2.gz JUAPSORIWVVVSY-BBRMVZONSA-N -1 3 399.520 3.140 20 0 GGADHM CCOc1cccc2cc([C@@H](C)NC(=O)NNC(=O)c3ccccc3[O-])oc21 ZINC000045133299 1404061890 /nfs/dbraw/zinc/06/18/90/1404061890.db2.gz ZVPSYWQDXAFJFZ-GFCCVEGCSA-N -1 3 383.404 3.242 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000045151257 1404064538 /nfs/dbraw/zinc/06/45/38/1404064538.db2.gz CUGIHEUQXCQKSB-FQEVSTJZSA-N -1 3 399.466 3.396 20 0 GGADHM CC(=O)Nc1cccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2F)c1 ZINC000045156582 1404065687 /nfs/dbraw/zinc/06/56/87/1404065687.db2.gz MCHTVJDFRBLKPU-UHFFFAOYSA-N -1 3 380.832 3.069 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)ccc1F ZINC000045311239 1404096911 /nfs/dbraw/zinc/09/69/11/1404096911.db2.gz PSGKFWUXVMPABY-NSHDSACASA-N -1 3 398.406 3.059 20 0 GGADHM O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000045346658 1404103159 /nfs/dbraw/zinc/10/31/59/1404103159.db2.gz MNVSQEQHNFTHBJ-HXUWFJFHSA-N -1 3 379.460 3.011 20 0 GGADHM 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GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)OC)cc3)c2)n1 ZINC000046065143 1404287278 /nfs/dbraw/zinc/28/72/78/1404287278.db2.gz DOSUYRAZLJODJP-UHFFFAOYSA-N -1 3 377.400 3.038 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC(C)C)nc3)c2)n1 ZINC000046067166 1404287865 /nfs/dbraw/zinc/28/78/65/1404287865.db2.gz VIRHNLYLVLGABH-UHFFFAOYSA-N -1 3 378.432 3.434 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1F ZINC000046111907 1404300169 /nfs/dbraw/zinc/30/01/69/1404300169.db2.gz UGRJSLRGNUIPIJ-ZDUSSCGKSA-N -1 3 376.453 3.104 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1F ZINC000046120595 1404304436 /nfs/dbraw/zinc/30/44/36/1404304436.db2.gz GMPALUUIHABDMW-UHFFFAOYSA-N -1 3 384.860 3.096 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000046148273 1404311722 /nfs/dbraw/zinc/31/17/22/1404311722.db2.gz DTIDEZNJPJJQAY-YOEHRIQHSA-N -1 3 382.501 3.307 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1F ZINC000046149451 1404312088 /nfs/dbraw/zinc/31/20/88/1404312088.db2.gz ZDTNPMQHXMWNED-CQSZACIVSA-N -1 3 378.469 3.046 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1F ZINC000046184572 1404325011 /nfs/dbraw/zinc/32/50/11/1404325011.db2.gz VMJFUUKUKICKIO-LJQANCHMSA-N -1 3 390.480 3.394 20 0 GGADHM COc1cc[n-]c(=NNC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)n1 ZINC000046363953 1404384871 /nfs/dbraw/zinc/38/48/71/1404384871.db2.gz JUQVWRRWDBQJTI-UHFFFAOYSA-N -1 3 398.492 3.030 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)n1 ZINC000046365050 1404385479 /nfs/dbraw/zinc/38/54/79/1404385479.db2.gz FMGOYHSQSQEVEZ-UHFFFAOYSA-N -1 3 376.416 3.090 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)n1 ZINC000046365758 1404385681 /nfs/dbraw/zinc/38/56/81/1404385681.db2.gz WXWGBFBNFISVFB-UHFFFAOYSA-N -1 3 386.843 3.205 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccc(CSc3nc(C)cs3)cc2)n1 ZINC000046364539 1404385949 /nfs/dbraw/zinc/38/59/49/1404385949.db2.gz VIXZMNGKHBMXQV-UHFFFAOYSA-N -1 3 387.490 3.299 20 0 GGADHM Cc1nc(C)c(CC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000046416783 1404407206 /nfs/dbraw/zinc/40/72/06/1404407206.db2.gz QGARIHYYSZAFQA-NRFANRHFSA-N -1 3 376.412 3.097 20 0 GGADHM Cc1cc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)on1 ZINC000046451904 1404421881 /nfs/dbraw/zinc/42/18/81/1404421881.db2.gz DKHXCFXVQLLLQD-LJQANCHMSA-N -1 3 380.400 3.293 20 0 GGADHM Cc1noc([C@@H](C)OC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000046451853 1404422008 /nfs/dbraw/zinc/42/20/08/1404422008.db2.gz ANYJHMLUQMPPRZ-FZKQIMNGSA-N -1 3 395.415 3.249 20 0 GGADHM CC(C)c1c(C(=O)[N-]NC(=O)c2cccc(Cl)c2)cnn1-c1ccccn1 ZINC000046659967 1404538025 /nfs/dbraw/zinc/53/80/25/1404538025.db2.gz RYTKIHRFXIFERO-UHFFFAOYSA-N -1 3 383.839 3.119 20 0 GGADHM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046676253 1404547291 /nfs/dbraw/zinc/54/72/91/1404547291.db2.gz VRTXEHKKJOCCAK-UHFFFAOYSA-N -1 3 393.484 3.139 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)c2)oc1C 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CDIRPDMBTQWMCL-ZDUSSCGKSA-N -1 3 387.436 3.446 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000047269355 1404778871 /nfs/dbraw/zinc/77/88/71/1404778871.db2.gz NNBAFKLSYYKMPY-BETUJISGSA-N -1 3 379.457 3.073 20 0 GGADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000047281635 1404785276 /nfs/dbraw/zinc/78/52/76/1404785276.db2.gz BHXPNGNCLRVGOF-IBGZPJMESA-N -1 3 384.432 3.484 20 0 GGADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c(O)c1 ZINC000047296845 1404793896 /nfs/dbraw/zinc/79/38/96/1404793896.db2.gz BRMLZZBNIKSGBV-UHFFFAOYSA-N -1 3 389.408 3.221 20 0 GGADHM COCCOc1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1OC ZINC000047454500 1404842576 /nfs/dbraw/zinc/84/25/76/1404842576.db2.gz ADLOQBYXQXPCQU-UHFFFAOYSA-N -1 3 395.477 3.147 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)c(C)c1 ZINC000047454454 1404842625 /nfs/dbraw/zinc/84/26/25/1404842625.db2.gz VKBJKHHONHZCGA-UHFFFAOYSA-N -1 3 388.489 3.235 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1NC(C)=O ZINC000047454423 1404842640 /nfs/dbraw/zinc/84/26/40/1404842640.db2.gz GHTFPRYTFZGFLO-UHFFFAOYSA-N -1 3 392.477 3.489 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 ZINC000047493536 1404851813 /nfs/dbraw/zinc/85/18/13/1404851813.db2.gz LDTPSXYUXZYFMW-UHFFFAOYSA-N -1 3 391.456 3.406 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000047552973 1404865944 /nfs/dbraw/zinc/86/59/44/1404865944.db2.gz NAAWNXVLWVQHDZ-UHFFFAOYSA-N -1 3 384.819 3.465 20 0 GGADHM CN(Cc1cccnc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000047649760 1404886165 /nfs/dbraw/zinc/88/61/65/1404886165.db2.gz NBRRMULHGWUSMG-UHFFFAOYSA-N -1 3 399.447 3.294 20 0 GGADHM O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000048015439 1405025995 /nfs/dbraw/zinc/02/59/95/1405025995.db2.gz IQMFFYXRZVBDNL-UHFFFAOYSA-N -1 3 378.350 3.009 20 0 GGADHM Cc1cccc(OCC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c1 ZINC000048164177 1405082064 /nfs/dbraw/zinc/08/20/64/1405082064.db2.gz OUKHPLBGFLIGLL-UHFFFAOYSA-N -1 3 397.656 3.251 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000048244690 1405110927 /nfs/dbraw/zinc/11/09/27/1405110927.db2.gz WOMZEQCUMLUKSO-UHFFFAOYSA-N -1 3 388.489 3.343 20 0 GGADHM Cc1ccc(C)c(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000048243987 1405111554 /nfs/dbraw/zinc/11/15/54/1405111554.db2.gz SAWHZJFRURJRLJ-UHFFFAOYSA-N -1 3 376.478 3.471 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000048246123 1405111953 /nfs/dbraw/zinc/11/19/53/1405111953.db2.gz GVBMUQMUNLXQRH-HNNXBMFYSA-N -1 3 388.489 3.193 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000048385504 1405174473 /nfs/dbraw/zinc/17/44/73/1405174473.db2.gz NXMAJDNCZJLKDZ-UHFFFAOYSA-N -1 3 399.466 3.051 20 0 GGADHM CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000048570880 1405228154 /nfs/dbraw/zinc/22/81/54/1405228154.db2.gz TUIRAOJKOVANQP-OAHLLOKOSA-N -1 3 398.507 3.270 20 0 GGADHM CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000048570881 1405228240 /nfs/dbraw/zinc/22/82/40/1405228240.db2.gz TUIRAOJKOVANQP-HNNXBMFYSA-N -1 3 398.507 3.270 20 0 GGADHM CCOc1cc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc(Cl)c1[O-] ZINC000048877911 1405313672 /nfs/dbraw/zinc/31/36/72/1405313672.db2.gz RCQMTJHHHAKTKP-UHFFFAOYSA-N -1 3 395.868 3.238 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4onc(C)c4c3)c2)n1 ZINC000049304891 1405362472 /nfs/dbraw/zinc/36/24/72/1405362472.db2.gz WKTLTCBBFWTVRG-UHFFFAOYSA-N -1 3 375.388 3.096 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)c2)n1 ZINC000049303731 1405362670 /nfs/dbraw/zinc/36/26/70/1405362670.db2.gz UZJWAZBKDGEBHF-GOSISDBHSA-N -1 3 389.411 3.240 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C[S@](C)=O)c3)c2)n1 ZINC000049303685 1405363221 /nfs/dbraw/zinc/36/32/21/1405363221.db2.gz OCRYVESBTJGDDJ-MUUNZHRXSA-N -1 3 395.484 3.130 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3N3CCCC3)c2)n1 ZINC000049302187 1405363457 /nfs/dbraw/zinc/36/34/57/1405363457.db2.gz JSLWHHVFNPFNQS-UHFFFAOYSA-N -1 3 389.459 3.247 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSCc3c(C)noc3C)c2)n1 ZINC000049304226 1405363474 /nfs/dbraw/zinc/36/34/74/1405363474.db2.gz FYFWBMIFPKVMPP-UHFFFAOYSA-N -1 3 398.488 3.476 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSCc3cccnc3)c2)n1 ZINC000049304935 1405363542 /nfs/dbraw/zinc/36/35/42/1405363542.db2.gz HILSQTCDQIFRJJ-UHFFFAOYSA-N -1 3 380.473 3.266 20 0 GGADHM Cc1ccc(C)c([C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000049794224 1405417087 /nfs/dbraw/zinc/41/70/87/1405417087.db2.gz MNRUCTWULXBTFT-QGZVFWFLSA-N -1 3 381.476 3.238 20 0 GGADHM COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(C)c(C)c3[O-])cn2)cc1 ZINC000049992926 1405442149 /nfs/dbraw/zinc/44/21/49/1405442149.db2.gz ARBPBZSVXQZORV-UHFFFAOYSA-N -1 3 394.431 3.105 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1OC ZINC000050040108 1405460109 /nfs/dbraw/zinc/46/01/09/1405460109.db2.gz MDSYXOWYKVVDEW-UHFFFAOYSA-N -1 3 397.884 3.432 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCc2ccccc2C)cc1OC ZINC000050040548 1405461161 /nfs/dbraw/zinc/46/11/61/1405461161.db2.gz OIWFVGXIRCPHJN-UHFFFAOYSA-N -1 3 391.493 3.129 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccccc2C)cc1OC ZINC000050040552 1405461365 /nfs/dbraw/zinc/46/13/65/1405461365.db2.gz PUVDDXABPHEBFT-UHFFFAOYSA-N -1 3 377.466 3.087 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(N)=O ZINC000050534446 1405597472 /nfs/dbraw/zinc/59/74/72/1405597472.db2.gz XHWIKMOCNGUPFE-UHFFFAOYSA-N -1 3 383.429 3.082 20 0 GGADHM O=C(CSCc1coc(-c2ccccc2)n1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000050603533 1405611557 /nfs/dbraw/zinc/61/15/57/1405611557.db2.gz QFYWATVCYDBOQN-UHFFFAOYSA-N -1 3 383.355 3.350 20 0 GGADHM O=C(CSCc1coc(-c2ccccc2)n1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000050603533 1405611565 /nfs/dbraw/zinc/61/15/65/1405611565.db2.gz QFYWATVCYDBOQN-UHFFFAOYSA-N -1 3 383.355 3.350 20 0 GGADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C1CC1)C1CC1 ZINC000050681930 1405623430 /nfs/dbraw/zinc/62/34/30/1405623430.db2.gz YSNBZMSJFDUWBO-UHFFFAOYSA-N -1 3 391.468 3.215 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(CC(C)C)cc1 ZINC000050821935 1405664932 /nfs/dbraw/zinc/66/49/32/1405664932.db2.gz IRGJWTDJTYEMNR-UHFFFAOYSA-N -1 3 394.471 3.421 20 0 GGADHM Cc1nc(C)c(CC(=O)OCCCCOc2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000051169427 1405736525 /nfs/dbraw/zinc/73/65/25/1405736525.db2.gz KFXOSOOINWNOLR-UHFFFAOYSA-N -1 3 398.381 3.350 20 0 GGADHM CN(c1ccccc1)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cn1 ZINC000051367287 1405797439 /nfs/dbraw/zinc/79/74/39/1405797439.db2.gz XUXYBEVQZMPMQZ-UHFFFAOYSA-N -1 3 395.440 3.024 20 0 GGADHM O=C(COC(=O)CCCOc1ccccc1Cl)[N-]C(=O)c1cccs1 ZINC000051497898 1405821044 /nfs/dbraw/zinc/82/10/44/1405821044.db2.gz JCOSBMLDVAFWDS-UHFFFAOYSA-N -1 3 381.837 3.060 20 0 GGADHM CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000052079335 1405927075 /nfs/dbraw/zinc/92/70/75/1405927075.db2.gz ITKSVUMBWSQTPL-UHFFFAOYSA-N -1 3 384.457 3.104 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(OC(C)C)cc1F ZINC000052079942 1405927122 /nfs/dbraw/zinc/92/71/22/1405927122.db2.gz MKNHAUUPDQPWDN-UHFFFAOYSA-N -1 3 396.422 3.248 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820642361 1428147773 /nfs/dbraw/zinc/14/77/73/1428147773.db2.gz IDBYMGNOTBQDFX-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642361 1428147776 /nfs/dbraw/zinc/14/77/76/1428147776.db2.gz IDBYMGNOTBQDFX-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000052493380 1406066174 /nfs/dbraw/zinc/06/61/74/1406066174.db2.gz RRQVBMXKLXDPSZ-STQMWFEESA-N -1 3 379.457 3.263 20 0 GGADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2OC)n[n-]1 ZINC000052778909 1406166876 /nfs/dbraw/zinc/16/68/76/1406166876.db2.gz KLEINGMNLISBQV-AWEZNQCLSA-N -1 3 380.448 3.433 20 0 GGADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)n1 ZINC000052779227 1406168367 /nfs/dbraw/zinc/16/83/67/1406168367.db2.gz PVGXPAHUKUFLRG-GFCCVEGCSA-N -1 3 386.839 3.270 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000056780666 1407430384 /nfs/dbraw/zinc/43/03/84/1407430384.db2.gz KDJNLDLOKFVZRN-CYBMUJFWSA-N -1 3 398.413 3.181 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000176312098 1428237992 /nfs/dbraw/zinc/23/79/92/1428237992.db2.gz ZNMIEWXBRVPZDH-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000056792634 1407435021 /nfs/dbraw/zinc/43/50/21/1407435021.db2.gz UKBJIQGOGMWDOP-UHFFFAOYSA-N -1 3 396.878 3.385 20 0 GGADHM C[C@H]1CCC[C@@H](CNC(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1 ZINC000056818174 1407442935 /nfs/dbraw/zinc/44/29/35/1407442935.db2.gz JOKSAJADCLDJDK-WDEREUQCSA-N -1 3 386.265 3.359 20 0 GGADHM C[C@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000056852762 1407455988 /nfs/dbraw/zinc/45/59/88/1407455988.db2.gz NEGIGGVFWUFANH-JTQLQIEISA-N -1 3 396.325 3.319 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000056902476 1407471667 /nfs/dbraw/zinc/47/16/67/1407471667.db2.gz XMTWMZWKSNMQTN-IBGZPJMESA-N -1 3 399.878 3.201 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000056932418 1407476919 /nfs/dbraw/zinc/47/69/19/1407476919.db2.gz LGQBLVWCZHMCOE-LBPRGKRZSA-N -1 3 391.468 3.358 20 0 GGADHM CCOc1cc(CNC(=O)c2cc3c(cc2[O-])OCO3)ccc1OC(F)F ZINC000056977169 1407492189 /nfs/dbraw/zinc/49/21/89/1407492189.db2.gz IGAMDICYTXMPNY-UHFFFAOYSA-N -1 3 381.331 3.051 20 0 GGADHM Cc1c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cnn1C ZINC000176320883 1428243138 /nfs/dbraw/zinc/24/31/38/1428243138.db2.gz XHDWWLIOUHOFSZ-UHFFFAOYSA-N -1 3 398.488 3.398 20 0 GGADHM CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000057035220 1407505361 /nfs/dbraw/zinc/50/53/61/1407505361.db2.gz KKFZRZGLJWKRHO-ZDUSSCGKSA-N -1 3 379.457 3.217 20 0 GGADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000057119175 1407523006 /nfs/dbraw/zinc/52/30/06/1407523006.db2.gz XZYSAFOZJRIBIM-UHFFFAOYSA-N -1 3 388.276 3.327 20 0 GGADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000057119148 1407523427 /nfs/dbraw/zinc/52/34/27/1407523427.db2.gz HSRFDMSRAHYITG-UHFFFAOYSA-N -1 3 392.868 3.155 20 0 GGADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 ZINC000057123638 1407527297 /nfs/dbraw/zinc/52/72/97/1407527297.db2.gz JQHZRPLTOZFKSB-AWEZNQCLSA-N -1 3 393.461 3.217 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000057125113 1407529060 /nfs/dbraw/zinc/52/90/60/1407529060.db2.gz BZIVRKDSMLUQFV-UHFFFAOYSA-N -1 3 375.381 3.175 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccccc2OCCc2ccccc2)c(=O)[n-]1 ZINC000057211546 1407556884 /nfs/dbraw/zinc/55/68/84/1407556884.db2.gz XEEQMKPBQCNPQA-UHFFFAOYSA-N -1 3 377.444 3.189 20 0 GGADHM CC[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000057234056 1407564285 /nfs/dbraw/zinc/56/42/85/1407564285.db2.gz SGPMJSBEOFLENB-OAHLLOKOSA-N -1 3 389.839 3.207 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)CC3CC3)c2)c1 ZINC000057365714 1407597345 /nfs/dbraw/zinc/59/73/45/1407597345.db2.gz SDNMWOFPNTZGMO-UHFFFAOYSA-N -1 3 384.432 3.144 20 0 GGADHM CC(C)OCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000057390806 1407605803 /nfs/dbraw/zinc/60/58/03/1407605803.db2.gz XZUMMLHRPOZMKU-UHFFFAOYSA-N -1 3 394.468 3.171 20 0 GGADHM C[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000057432291 1407616198 /nfs/dbraw/zinc/61/61/98/1407616198.db2.gz BEFNQDZLHMDJHK-CYBMUJFWSA-N -1 3 394.393 3.451 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3cccs3)nc(=O)c2c1C ZINC000057457287 1407625902 /nfs/dbraw/zinc/62/59/02/1407625902.db2.gz UCACKSODMNYODA-LLVKDONJSA-N -1 3 389.502 3.478 20 0 GGADHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057586363 1407659850 /nfs/dbraw/zinc/65/98/50/1407659850.db2.gz IDIUTHKGKOUSRQ-BXKDBHETSA-N -1 3 388.493 3.360 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000057662320 1407679614 /nfs/dbraw/zinc/67/96/14/1407679614.db2.gz JKYWCODFUJJKER-INIZCTEOSA-N -1 3 393.365 3.449 20 0 GGADHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1OCC ZINC000057721246 1407699737 /nfs/dbraw/zinc/69/97/37/1407699737.db2.gz QEWXMTXZQLLQNC-UHFFFAOYSA-N -1 3 385.432 3.283 20 0 GGADHM CNC(=O)c1sc2[n-]c(-c3cnn(-c4cccc(Cl)c4)c3)nc(=O)c2c1C ZINC000057771555 1407713403 /nfs/dbraw/zinc/71/34/03/1407713403.db2.gz DLDZUUNBDQBLBS-UHFFFAOYSA-N -1 3 399.863 3.159 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCCOc3ccccc3)[n-]c(=O)c12 ZINC000057812926 1407724311 /nfs/dbraw/zinc/72/43/11/1407724311.db2.gz BQSGQOVMBJZJGM-UHFFFAOYSA-N -1 3 385.445 3.387 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1nnc(-c2cccs2)o1 ZINC000057866807 1407742679 /nfs/dbraw/zinc/74/26/79/1407742679.db2.gz GMCBEFFNBDLPHW-GFCCVEGCSA-N -1 3 398.444 3.212 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000057866803 1407742894 /nfs/dbraw/zinc/74/28/94/1407742894.db2.gz GMCBEFFNBDLPHW-LBPRGKRZSA-N -1 3 398.444 3.212 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000176351180 1428263751 /nfs/dbraw/zinc/26/37/51/1428263751.db2.gz XLMGRUAQMYUKFO-ZDUSSCGKSA-N -1 3 398.290 3.146 20 0 GGADHM O=c1[n-]nc(SCc2coc(-c3ccc(Cl)cc3)n2)n1C[C@H]1CCCO1 ZINC000058371531 1407819343 /nfs/dbraw/zinc/81/93/43/1407819343.db2.gz VCTIQGQUMVEZGP-CQSZACIVSA-N -1 3 392.868 3.351 20 0 GGADHM O=c1[n-]nc(SCc2coc(-c3ccc(Cl)cc3)n2)n1C[C@@H]1CCCO1 ZINC000058371530 1407819485 /nfs/dbraw/zinc/81/94/85/1407819485.db2.gz VCTIQGQUMVEZGP-AWEZNQCLSA-N -1 3 392.868 3.351 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)ccc1OC(C)C ZINC000058496175 1407836835 /nfs/dbraw/zinc/83/68/35/1407836835.db2.gz NHDWQOXZDPUOAV-UHFFFAOYSA-N -1 3 397.518 3.128 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000058680614 1407863250 /nfs/dbraw/zinc/86/32/50/1407863250.db2.gz QMTNQIWRCPXCJK-SUMWQHHRSA-N -1 3 399.484 3.019 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCc2ccc(Cl)cc21 ZINC000058724685 1407870333 /nfs/dbraw/zinc/87/03/33/1407870333.db2.gz SBUVQKNJHVYJEV-UHFFFAOYSA-N -1 3 394.855 3.123 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(F)cc32)ccc1F ZINC000058745639 1407874725 /nfs/dbraw/zinc/87/47/25/1407874725.db2.gz QOYGQEMGGXHJEJ-UHFFFAOYSA-N -1 3 394.443 3.245 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(=O)[n-]1 ZINC000058771405 1407878115 /nfs/dbraw/zinc/87/81/15/1407878115.db2.gz ZGCGRJZWXXVTGY-QGZVFWFLSA-N -1 3 391.418 3.115 20 0 GGADHM CCN(CC)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058780890 1407879400 /nfs/dbraw/zinc/87/94/00/1407879400.db2.gz FBJREWYVACRUJJ-UHFFFAOYSA-N -1 3 395.912 3.421 20 0 GGADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1cccc(F)c1 ZINC000059419066 1407922722 /nfs/dbraw/zinc/92/27/22/1407922722.db2.gz LBQGTKQSKIZUFB-UHFFFAOYSA-N -1 3 375.425 3.245 20 0 GGADHM COc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c([O-])c1 ZINC000059782414 1407925435 /nfs/dbraw/zinc/92/54/35/1407925435.db2.gz ULJVFOMWCPJWBG-IBGZPJMESA-N -1 3 384.476 3.366 20 0 GGADHM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(F)c(F)c1 ZINC000060062880 1407936389 /nfs/dbraw/zinc/93/63/89/1407936389.db2.gz CHZOGEXWZMLPAZ-INIZCTEOSA-N -1 3 379.388 3.493 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000060108147 1407940206 /nfs/dbraw/zinc/94/02/06/1407940206.db2.gz SUVDVLIBIUZPHM-CYBMUJFWSA-N -1 3 377.466 3.340 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3cnc(C(C)(C)C)s3)n[nH]2)c(OC)c1 ZINC000060330340 1407953036 /nfs/dbraw/zinc/95/30/36/1407953036.db2.gz NXCKKSMARNKWRV-UHFFFAOYSA-N -1 3 387.465 3.495 20 0 GGADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)N2CCCC2)cc1 ZINC000060357047 1407959308 /nfs/dbraw/zinc/95/93/08/1407959308.db2.gz 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ZINC000060957083 1408057013 /nfs/dbraw/zinc/05/70/13/1408057013.db2.gz KOWYESPWLDQPKY-UHFFFAOYSA-N -1 3 396.443 3.359 20 0 GGADHM Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c1C ZINC000061142567 1408082458 /nfs/dbraw/zinc/08/24/58/1408082458.db2.gz CZAXPXMJFZPIOD-UHFFFAOYSA-N -1 3 392.415 3.390 20 0 GGADHM Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c1C ZINC000061142567 1408082465 /nfs/dbraw/zinc/08/24/65/1408082465.db2.gz CZAXPXMJFZPIOD-UHFFFAOYSA-N -1 3 392.415 3.390 20 0 GGADHM O=C(OCc1cn2cc(Br)ccc2n1)c1cc(-c2ccco2)[n-]n1 ZINC000061142882 1408082522 /nfs/dbraw/zinc/08/25/22/1408082522.db2.gz DNKPYZWXJLENHX-UHFFFAOYSA-N -1 3 387.193 3.437 20 0 GGADHM O=C(OCc1cn2cc(Br)ccc2n1)c1cc(-c2ccco2)n[n-]1 ZINC000061142882 1408082531 /nfs/dbraw/zinc/08/25/31/1408082531.db2.gz DNKPYZWXJLENHX-UHFFFAOYSA-N -1 3 387.193 3.437 20 0 GGADHM CC(C)(C)c1ccc(CCNC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000061142348 1408082962 /nfs/dbraw/zinc/08/29/62/1408082962.db2.gz JSILYMJTCVCCOD-UHFFFAOYSA-N 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ZINC000822945450 1428292366 /nfs/dbraw/zinc/29/23/66/1428292366.db2.gz FORDCCSVWDIQCB-OAHLLOKOSA-N -1 3 383.477 3.044 20 0 GGADHM CC(C)c1ccc(SCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000061464569 1408133715 /nfs/dbraw/zinc/13/37/15/1408133715.db2.gz KKMPZANCHSYMHR-UHFFFAOYSA-N -1 3 377.487 3.463 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)c(C)o1 ZINC000176390856 1428294198 /nfs/dbraw/zinc/29/41/98/1428294198.db2.gz NTAABSKAZARTNS-QGZVFWFLSA-N -1 3 378.494 3.322 20 0 GGADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000061725523 1408164829 /nfs/dbraw/zinc/16/48/29/1408164829.db2.gz ZMSMYLSUAQSMCM-AWEZNQCLSA-N -1 3 389.473 3.447 20 0 GGADHM O=C(CCc1ccc(Br)cc1F)N[N-]C(=O)c1ccccc1F ZINC000062863820 1408293021 /nfs/dbraw/zinc/29/30/21/1408293021.db2.gz BITKDMSGSFURJX-UHFFFAOYSA-N -1 3 383.192 3.121 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)C(C)C)c1 ZINC000063183885 1408313425 /nfs/dbraw/zinc/31/34/25/1408313425.db2.gz WHFZTNFYXRSGIU-SFHVURJKSA-N -1 3 395.452 3.297 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000063184039 1408313520 /nfs/dbraw/zinc/31/35/20/1408313520.db2.gz HCNHTLOXVISSHW-SFHVURJKSA-N -1 3 377.437 3.350 20 0 GGADHM CCOc1cccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000063404536 1408349361 /nfs/dbraw/zinc/34/93/61/1408349361.db2.gz WCKYXSRUKRCDHN-MRXNPFEDSA-N -1 3 397.475 3.020 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)cc1 ZINC000063442918 1408355283 /nfs/dbraw/zinc/35/52/83/1408355283.db2.gz GCDHGTXWJMWURS-UHFFFAOYSA-N -1 3 392.477 3.170 20 0 GGADHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000063446860 1408355879 /nfs/dbraw/zinc/35/58/79/1408355879.db2.gz UTSFCGCBNVRVAO-UHFFFAOYSA-N -1 3 379.300 3.302 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000063466237 1408359503 /nfs/dbraw/zinc/35/95/03/1408359503.db2.gz GWOLQHLDNUFFGK-UHFFFAOYSA-N -1 3 375.429 3.040 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](c3ccccc3)N(C)C)c2)n1 ZINC000063505460 1408364987 /nfs/dbraw/zinc/36/49/87/1408364987.db2.gz CNTQKVNQMFUNFF-HXUWFJFHSA-N -1 3 376.460 3.241 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COC(C)C)ccc2C)cc1 ZINC000063664134 1408388567 /nfs/dbraw/zinc/38/85/67/1408388567.db2.gz NVRJNZYAKAYVGB-UHFFFAOYSA-N -1 3 392.477 3.168 20 0 GGADHM Cc1ccc(CCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000063809649 1408418351 /nfs/dbraw/zinc/41/83/51/1408418351.db2.gz JQVZAPWYVGHRJP-UHFFFAOYSA-N -1 3 380.488 3.398 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2cc(C)ccc2F)o1 ZINC000063875327 1408435190 /nfs/dbraw/zinc/43/51/90/1408435190.db2.gz KZPFIKDXOKRJFH-UHFFFAOYSA-N -1 3 378.473 3.200 20 0 GGADHM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000063878096 1408436038 /nfs/dbraw/zinc/43/60/38/1408436038.db2.gz IIEYWBHDDQWDKB-UHFFFAOYSA-N -1 3 376.478 3.320 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911782 1408444126 /nfs/dbraw/zinc/44/41/26/1408444126.db2.gz URMVKAFXFCFYJT-UHFFFAOYSA-N -1 3 386.330 3.226 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C2CCCCC2)C(F)(F)F)c(C)o1 ZINC000180222197 1429806473 /nfs/dbraw/zinc/80/64/73/1429806473.db2.gz VGJJYWYXIJZUQB-ZDUSSCGKSA-N -1 3 383.388 3.164 20 0 GGADHM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176436751 1428319958 /nfs/dbraw/zinc/31/99/58/1428319958.db2.gz OWEVBAQMPYIAGY-CFDVYZKQSA-N -1 3 399.310 3.351 20 0 GGADHM O=C(COC(=O)c1cnc(-c2ccccc2F)s1)[N-]C(=O)c1cccs1 ZINC000064225915 1408514491 /nfs/dbraw/zinc/51/44/91/1408514491.db2.gz DWVRESSWCCWQLI-UHFFFAOYSA-N -1 3 390.417 3.124 20 0 GGADHM O=C(NCCc1ccccc1Br)N[N-]C(=O)c1ccccc1Cl ZINC000064242680 1408519992 /nfs/dbraw/zinc/51/99/92/1408519992.db2.gz DEBZSEDMWLZXJX-UHFFFAOYSA-N -1 3 396.672 3.289 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1NS(C)(=O)=O ZINC000064373962 1408542293 /nfs/dbraw/zinc/54/22/93/1408542293.db2.gz NNNHCDNVULISRK-UHFFFAOYSA-N -1 3 396.534 3.465 20 0 GGADHM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000176464442 1428328316 /nfs/dbraw/zinc/32/83/16/1428328316.db2.gz OFBAVZHQNTVRBV-UHFFFAOYSA-N -1 3 382.526 3.224 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000176464916 1428328444 /nfs/dbraw/zinc/32/84/44/1428328444.db2.gz OBYBKYJKOPLJCP-UHFFFAOYSA-N -1 3 382.526 3.034 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000064478249 1408563400 /nfs/dbraw/zinc/56/34/00/1408563400.db2.gz LZKXQVCKYHEYRV-GJZGRUSLSA-N -1 3 388.489 3.304 20 0 GGADHM O=C([N-]NC(=O)c1cccc2cccnc21)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000064500928 1408569359 /nfs/dbraw/zinc/56/93/59/1408569359.db2.gz MYBQZKUENRPFOU-UHFFFAOYSA-N -1 3 391.818 3.149 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000176475055 1428331986 /nfs/dbraw/zinc/33/19/86/1428331986.db2.gz AATFCQGRWCMLAF-IRXDYDNUSA-N -1 3 381.476 3.052 20 0 GGADHM CO[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1cccc(Cl)c1 ZINC000176476744 1428332912 /nfs/dbraw/zinc/33/29/12/1428332912.db2.gz WSPKVXIKEWVQJS-CQSZACIVSA-N -1 3 377.872 3.147 20 0 GGADHM CCCCNC(=O)N[N-]C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000064883487 1408625394 /nfs/dbraw/zinc/62/53/94/1408625394.db2.gz UDDRUDXXQWQHQH-UHFFFAOYSA-N -1 3 377.876 3.393 20 0 GGADHM CCCCCCOc1ccc(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000065060875 1408640230 /nfs/dbraw/zinc/64/02/30/1408640230.db2.gz BBANJMDYBJLLIQ-UHFFFAOYSA-N -1 3 379.464 3.429 20 0 GGADHM Cc1c2cccc(C)c2oc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000065056182 1408640411 /nfs/dbraw/zinc/64/04/11/1408640411.db2.gz YWIYYSRFWVEQTD-UHFFFAOYSA-N -1 3 378.428 3.353 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(-c2cnco2)c1 ZINC000065158875 1408649188 /nfs/dbraw/zinc/64/91/88/1408649188.db2.gz OBEYKBZQXCWSTG-UHFFFAOYSA-N -1 3 375.388 3.046 20 0 GGADHM CC(C)c1c(C(=O)[N-]NC(=O)NCC2CC2)cnn1-c1ccc(Cl)cc1 ZINC000065192259 1408651675 /nfs/dbraw/zinc/65/16/75/1408651675.db2.gz QDKXRGPEMDSMBV-UHFFFAOYSA-N -1 3 375.860 3.003 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2Cl)cc1 ZINC000065484681 1408677654 /nfs/dbraw/zinc/67/76/54/1408677654.db2.gz ICUWGXHUWJJOAK-CYBMUJFWSA-N -1 3 375.856 3.314 20 0 GGADHM CCc1cccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)c1 ZINC000176497750 1428340472 /nfs/dbraw/zinc/34/04/72/1428340472.db2.gz YAXBMFRAXNAOHU-UHFFFAOYSA-N -1 3 387.440 3.042 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1OC ZINC000065659055 1408707038 /nfs/dbraw/zinc/70/70/38/1408707038.db2.gz FEAOSEXLRPPKHD-UHFFFAOYSA-N -1 3 392.521 3.468 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCCc2cccs2)cc1 ZINC000065662060 1408707665 /nfs/dbraw/zinc/70/76/65/1408707665.db2.gz CHBPTHAPOQXZSI-UHFFFAOYSA-N -1 3 383.491 3.063 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000065728434 1408719532 /nfs/dbraw/zinc/71/95/32/1408719532.db2.gz MNJNPPKMEZOJLI-IBGZPJMESA-N -1 3 392.434 3.186 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000065728324 1408719720 /nfs/dbraw/zinc/71/97/20/1408719720.db2.gz QINNKJJDBJPTBY-IBGZPJMESA-N -1 3 392.434 3.186 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000065736999 1408721562 /nfs/dbraw/zinc/72/15/62/1408721562.db2.gz BKWFMFFKMUZAIY-QFBILLFUSA-N -1 3 380.492 3.254 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccccc2C)cc1OC ZINC000065751222 1408723870 /nfs/dbraw/zinc/72/38/70/1408723870.db2.gz FCEAYTDLJHQRKE-UHFFFAOYSA-N -1 3 391.493 3.429 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccccc2)cc1OC ZINC000065751562 1408724286 /nfs/dbraw/zinc/72/42/86/1408724286.db2.gz FAGUMGCSZLNULB-UHFFFAOYSA-N -1 3 377.466 3.121 20 0 GGADHM CC(C)(C)c1ccc(OCCNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065753329 1408724391 /nfs/dbraw/zinc/72/43/91/1408724391.db2.gz YXJGUBCPSZMNMX-UHFFFAOYSA-N -1 3 381.432 3.068 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2sccc2C)cc1OC ZINC000065753037 1408724532 /nfs/dbraw/zinc/72/45/32/1408724532.db2.gz KOXKDJCQZBPTPV-UHFFFAOYSA-N -1 3 397.522 3.491 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1OC ZINC000065789189 1408730260 /nfs/dbraw/zinc/73/02/60/1408730260.db2.gz PSBGWCAXIIQINI-GFCCVEGCSA-N -1 3 397.522 3.271 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CCc2ccccc2)cc1OC ZINC000065801917 1408732619 /nfs/dbraw/zinc/73/26/19/1408732619.db2.gz GBCWWYLLYTVJPG-UHFFFAOYSA-N -1 3 391.493 3.163 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000065803767 1408732976 /nfs/dbraw/zinc/73/29/76/1408732976.db2.gz BHUJAMJUSPKMGW-UHFFFAOYSA-N -1 3 394.818 3.295 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(CCC)CC2)ccc1F ZINC000065853165 1408742049 /nfs/dbraw/zinc/74/20/49/1408742049.db2.gz PPFWTTIPJKFFTJ-UHFFFAOYSA-N -1 3 382.501 3.379 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)cc(F)cc1F ZINC000065885895 1408747806 /nfs/dbraw/zinc/74/78/06/1408747806.db2.gz HZHXIZJRGKMUGR-OAHLLOKOSA-N -1 3 398.450 3.294 20 0 GGADHM CC(C)OCCOCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065985429 1408767673 /nfs/dbraw/zinc/76/76/73/1408767673.db2.gz FINQUIZHTJSULZ-UHFFFAOYSA-N -1 3 397.431 3.156 20 0 GGADHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC000066106256 1408781976 /nfs/dbraw/zinc/78/19/76/1408781976.db2.gz RCOBDSUBLFDCNG-UHFFFAOYSA-N -1 3 380.322 3.455 20 0 GGADHM CNS(=O)(=O)c1cccc([C@@H](C)/N=C/c2cc(Br)ccc2[O-])c1 ZINC000066255577 1408798077 /nfs/dbraw/zinc/79/80/77/1408798077.db2.gz SRUQJHJUJGXEBL-VURRPDKYSA-N -1 3 397.294 3.243 20 0 GGADHM C[C@H](c1ccco1)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000066291101 1408805890 /nfs/dbraw/zinc/80/58/90/1408805890.db2.gz CKXQJIGVSZZPEL-GFCCVEGCSA-N -1 3 392.452 3.225 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CCCC[C@@H]1C ZINC000066415513 1408833819 /nfs/dbraw/zinc/83/38/19/1408833819.db2.gz PMKYNIHONRGNIK-GUYCJALGSA-N -1 3 382.501 3.307 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000066445494 1408840137 /nfs/dbraw/zinc/84/01/37/1408840137.db2.gz JXCQZZCDLBUETH-GOSISDBHSA-N -1 3 385.445 3.418 20 0 GGADHM COC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)ccc1F ZINC000066587803 1408861855 /nfs/dbraw/zinc/86/18/55/1408861855.db2.gz PHUBMFLOGNUCIX-UHFFFAOYSA-N -1 3 382.413 3.430 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c(Cl)c1 ZINC000066607880 1408866356 /nfs/dbraw/zinc/86/63/56/1408866356.db2.gz AZUGNJQCHMYIQK-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1cccc2ncccc21 ZINC000066753053 1408900425 /nfs/dbraw/zinc/90/04/25/1408900425.db2.gz FALKLJHIGROFPJ-UHFFFAOYSA-N -1 3 377.433 3.105 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1cccc2ncccc21 ZINC000066766645 1408906962 /nfs/dbraw/zinc/90/69/62/1408906962.db2.gz NELBTWDTUFYFRF-UHFFFAOYSA-N -1 3 387.375 3.165 20 0 GGADHM O=C(OC[C@H]1CCCCO1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000066780846 1408913304 /nfs/dbraw/zinc/91/33/04/1408913304.db2.gz DZWWPDQNHMCQJI-OAHLLOKOSA-N -1 3 393.436 3.352 20 0 GGADHM O=C(OC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000066780848 1408913381 /nfs/dbraw/zinc/91/33/81/1408913381.db2.gz TZLWWISKGPIELN-HNNXBMFYSA-N -1 3 393.436 3.352 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000066885848 1408941201 /nfs/dbraw/zinc/94/12/01/1408941201.db2.gz WKGJQQVIAYHUQU-ZDUSSCGKSA-N -1 3 396.443 3.089 20 0 GGADHM CCOc1ccc(NC(=S)N[N-]C(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000066899526 1408945684 /nfs/dbraw/zinc/94/56/84/1408945684.db2.gz DOQWPXCJUDBELG-UHFFFAOYSA-N -1 3 393.472 3.174 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)c(C)c1C ZINC000067124213 1409013957 /nfs/dbraw/zinc/01/39/57/1409013957.db2.gz DAIMCJZOZZJPLC-UHFFFAOYSA-N -1 3 375.494 3.198 20 0 GGADHM O=C(NCc1ccccc1)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000067182324 1409034760 /nfs/dbraw/zinc/03/47/60/1409034760.db2.gz DLVWYHKBNCKMLV-RCCKNPSSSA-N -1 3 397.434 3.340 20 0 GGADHM CCOc1ccc(OCC)c(NC(=S)N[N-]C(=O)c2ccc(F)cc2F)c1 ZINC000067193852 1409038067 /nfs/dbraw/zinc/03/80/67/1409038067.db2.gz ZNPBTJUYOUNFFI-UHFFFAOYSA-N -1 3 395.431 3.394 20 0 GGADHM COc1ccccc1C(=O)N[N-]C(=O)c1cccnc1Sc1ccccc1 ZINC000067433627 1409116361 /nfs/dbraw/zinc/11/63/61/1409116361.db2.gz IWAPUUICCHQINS-UHFFFAOYSA-N -1 3 379.441 3.316 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)OCC(C)C)c2)c(=O)[n-]1 ZINC000067519254 1409142048 /nfs/dbraw/zinc/14/20/48/1409142048.db2.gz RXAPJRZGHFLKPC-UHFFFAOYSA-N -1 3 386.452 3.163 20 0 GGADHM Cc1ccc(NC(=O)c2cccc(OC(=O)Cc3c(C)nc(C)[n-]c3=O)c2)cc1 ZINC000067644979 1409194175 /nfs/dbraw/zinc/19/41/75/1409194175.db2.gz NCPIRMRFYWDOTA-UHFFFAOYSA-N -1 3 391.427 3.096 20 0 GGADHM Cc1noc(C)c1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176627886 1428384028 /nfs/dbraw/zinc/38/40/28/1428384028.db2.gz QVEKYYFUWJJPLB-UHFFFAOYSA-N -1 3 391.855 3.070 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000176629508 1428384753 /nfs/dbraw/zinc/38/47/53/1428384753.db2.gz KOYADFDFNSGHGA-UHFFFAOYSA-N -1 3 388.855 3.137 20 0 GGADHM O=C(CCc1ccco1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176629490 1428384998 /nfs/dbraw/zinc/38/49/98/1428384998.db2.gz AWXXILRPRONZHW-UHFFFAOYSA-N -1 3 376.840 3.449 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N(CC1CC1)C1CCCCC1 ZINC000068013630 1409277014 /nfs/dbraw/zinc/27/70/14/1409277014.db2.gz FPSJVLQGKVMRBI-UHFFFAOYSA-N -1 3 394.512 3.451 20 0 GGADHM CC[C@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000068176202 1409323668 /nfs/dbraw/zinc/32/36/68/1409323668.db2.gz RVROGYMYHINJAD-KRWDZBQOSA-N -1 3 392.477 3.168 20 0 GGADHM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1NC(=O)c1ccncc1 ZINC000068179342 1409324475 /nfs/dbraw/zinc/32/44/75/1409324475.db2.gz LYYAMHHYTNFBNN-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1NC(=O)c1ccncc1 ZINC000068179342 1409324481 /nfs/dbraw/zinc/32/44/81/1409324481.db2.gz LYYAMHHYTNFBNN-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc[nH]c3)ccc2C)cc1 ZINC000068228007 1409334620 /nfs/dbraw/zinc/33/46/20/1409334620.db2.gz VHIOFRZKJOQHED-UHFFFAOYSA-N 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ZINC000068606872 1409449880 /nfs/dbraw/zinc/44/98/80/1409449880.db2.gz QNSKNYVYRPKGHE-LBPRGKRZSA-N -1 3 397.431 3.249 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(OCc2cccnc2)c1 ZINC000068630027 1409451673 /nfs/dbraw/zinc/45/16/73/1409451673.db2.gz REDONVGSTZFAES-UHFFFAOYSA-N -1 3 388.383 3.188 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)Cc2ccsc2)cc1OC ZINC000068635802 1409452325 /nfs/dbraw/zinc/45/23/25/1409452325.db2.gz IRHWXTWEEGVKFE-LBPRGKRZSA-N -1 3 397.522 3.271 20 0 GGADHM COc1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](C)C2CC2)cc1 ZINC000068637339 1409453102 /nfs/dbraw/zinc/45/31/02/1409453102.db2.gz IMTFOXLTGRVJNI-ZDUSSCGKSA-N -1 3 393.443 3.411 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(N2CCCC2=O)c1 ZINC000068661461 1409460783 /nfs/dbraw/zinc/46/07/83/1409460783.db2.gz BNQIXEZBJOLJEA-CQSZACIVSA-N -1 3 375.428 3.146 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccnc(N4CCCC4)c3)nc2)n1 ZINC000068662341 1409461611 /nfs/dbraw/zinc/46/16/11/1409461611.db2.gz MPFUJEZWDCQYKT-UHFFFAOYSA-N -1 3 376.464 3.002 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCN(C(=O)C(CC)CC)CC3)nc2)n1 ZINC000068668729 1409463749 /nfs/dbraw/zinc/46/37/49/1409463749.db2.gz IUFUGYKXIFNCOU-UHFFFAOYSA-N -1 3 397.523 3.233 20 0 GGADHM CCCNC(=O)c1cccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)c1 ZINC000068667110 1409463931 /nfs/dbraw/zinc/46/39/31/1409463931.db2.gz UAPPBEDCGLNAJX-UHFFFAOYSA-N -1 3 391.475 3.146 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCCc3ccc(OC)cc3)nc2)n1 ZINC000068669617 1409464437 /nfs/dbraw/zinc/46/44/37/1409464437.db2.gz WDFPGOGKIVUWSP-UHFFFAOYSA-N -1 3 378.476 3.472 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cc(OC)ccc3OC)nc2)n1 ZINC000068669965 1409464462 /nfs/dbraw/zinc/46/44/62/1409464462.db2.gz LFLRPSLQNIJQNX-UHFFFAOYSA-N -1 3 380.448 3.066 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCOc3ccc(OC)cc3)nc2)n1 ZINC000068691487 1409470719 /nfs/dbraw/zinc/47/07/19/1409470719.db2.gz BZBXZHAYQDPMTK-UHFFFAOYSA-N -1 3 380.448 3.284 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCN(C(=O)OC(C)(C)C)C3CC3)nc2)n1 ZINC000068699272 1409471496 /nfs/dbraw/zinc/47/14/96/1409471496.db2.gz MYDKLSBRELNFKQ-UHFFFAOYSA-N -1 3 399.495 3.206 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCCN3C(=O)OC(C)(C)C)nc2)n1 ZINC000068703396 1409471849 /nfs/dbraw/zinc/47/18/49/1409471849.db2.gz WTYDTZQNDHHVDC-INIZCTEOSA-N -1 3 399.495 3.206 20 0 GGADHM CCSc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cn1 ZINC000068757080 1409486371 /nfs/dbraw/zinc/48/63/71/1409486371.db2.gz LSHFPEJVOXNPGX-UHFFFAOYSA-N -1 3 395.506 3.216 20 0 GGADHM CC1CCC(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000068876971 1409513071 /nfs/dbraw/zinc/51/30/71/1409513071.db2.gz JDCGKENYEVXPFJ-UHFFFAOYSA-N -1 3 397.504 3.308 20 0 GGADHM CCOc1cccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000068886093 1409516085 /nfs/dbraw/zinc/51/60/85/1409516085.db2.gz WCKYXSRUKRCDHN-INIZCTEOSA-N -1 3 397.475 3.020 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)ccc1OC(C)C ZINC000176690879 1428410477 /nfs/dbraw/zinc/41/04/77/1428410477.db2.gz XOXKWYKLURHKRE-UHFFFAOYSA-N -1 3 394.468 3.424 20 0 GGADHM CCCNC(=O)N[N-]C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000068932654 1409527919 /nfs/dbraw/zinc/52/79/19/1409527919.db2.gz QOPLLRROMOSEHW-UHFFFAOYSA-N -1 3 379.416 3.122 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000069041665 1409551447 /nfs/dbraw/zinc/55/14/47/1409551447.db2.gz PAMBLBQLSOJONB-UHFFFAOYSA-N -1 3 391.493 3.289 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1OC ZINC000069099762 1409564444 /nfs/dbraw/zinc/56/44/44/1409564444.db2.gz PXCLMBSFXNRWCO-GFCCVEGCSA-N -1 3 381.454 3.275 20 0 GGADHM Cc1cccc(CS(=O)(=O)[N-][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000069121321 1409571754 /nfs/dbraw/zinc/57/17/54/1409571754.db2.gz HFGOQHQXUQRANZ-KRWDZBQOSA-N -1 3 386.477 3.257 20 0 GGADHM CCCCc1noc([C@@H](C)S(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)n1 ZINC000069300405 1409609956 /nfs/dbraw/zinc/60/99/56/1409609956.db2.gz DFNRKIHXCVUSEN-GFCCVEGCSA-N -1 3 381.502 3.188 20 0 GGADHM CCCCc1noc([C@@H](C)S(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)n1 ZINC000069300405 1409609961 /nfs/dbraw/zinc/60/99/61/1409609961.db2.gz DFNRKIHXCVUSEN-GFCCVEGCSA-N -1 3 381.502 3.188 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000069380992 1409625100 /nfs/dbraw/zinc/62/51/00/1409625100.db2.gz HUDXKANSHLFXGF-UHFFFAOYSA-N -1 3 397.862 3.054 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000069385556 1409625662 /nfs/dbraw/zinc/62/56/62/1409625662.db2.gz HCFYTCSDZSWAHI-CABCVRRESA-N -1 3 393.270 3.349 20 0 GGADHM CCOCCOCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000069582014 1409656577 /nfs/dbraw/zinc/65/65/77/1409656577.db2.gz HKOUVTBIULJYGS-UHFFFAOYSA-N -1 3 383.242 3.049 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N2CCCC2)c1 ZINC000069604063 1409661075 /nfs/dbraw/zinc/66/10/75/1409661075.db2.gz RROXAOLKUBBUEL-SFHVURJKSA-N -1 3 396.459 3.089 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N2CCCC2)c1 ZINC000069604058 1409661138 /nfs/dbraw/zinc/66/11/38/1409661138.db2.gz RROXAOLKUBBUEL-GOSISDBHSA-N -1 3 396.459 3.089 20 0 GGADHM O=c1[n-]nc(SCc2ncc(-c3cccc(Cl)c3)o2)n1C[C@@H]1CCCO1 ZINC000069877810 1409720115 /nfs/dbraw/zinc/72/01/15/1409720115.db2.gz TZVAFLNDMMULNU-ZDUSSCGKSA-N -1 3 392.868 3.351 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCCCCC1 ZINC000070675044 1409748755 /nfs/dbraw/zinc/74/87/55/1409748755.db2.gz FVZORDHZAJJOGL-UHFFFAOYSA-N -1 3 393.336 3.455 20 0 GGADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)no1 ZINC000070693112 1409753111 /nfs/dbraw/zinc/75/31/11/1409753111.db2.gz XZKQPCWFWQRVDC-UHFFFAOYSA-N -1 3 389.408 3.484 20 0 GGADHM CCOc1cc2c(cc1C=CC(=O)Nc1cccc(-c3nnn[n-]3)c1)O[C@@H](C)C2 ZINC000070731049 1409761406 /nfs/dbraw/zinc/76/14/06/1409761406.db2.gz MOANKERMSABESR-GWJCSSMESA-N -1 3 391.431 3.241 20 0 GGADHM CCOc1cc2c(cc1C=CC(=O)Nc1cccc(-c3nn[n-]n3)c1)O[C@@H](C)C2 ZINC000070731049 1409761421 /nfs/dbraw/zinc/76/14/21/1409761421.db2.gz MOANKERMSABESR-GWJCSSMESA-N -1 3 391.431 3.241 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3cc(C)ccc3OC)[n-]c(=O)c12 ZINC000070766264 1409770411 /nfs/dbraw/zinc/77/04/11/1409770411.db2.gz SXPLAAIILJLSTR-UHFFFAOYSA-N -1 3 385.445 3.435 20 0 GGADHM C[C@@H]1CN([C@@H](CNC(=O)c2ccccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000071907008 1409830067 /nfs/dbraw/zinc/83/00/67/1409830067.db2.gz VKUHNBKNOCXUGI-DYVFJYSZSA-N -1 3 392.858 3.377 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000071955681 1409833268 /nfs/dbraw/zinc/83/32/68/1409833268.db2.gz XVJNMUOIIXUBQY-IRXDYDNUSA-N -1 3 384.863 3.134 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000071955684 1409833364 /nfs/dbraw/zinc/83/33/64/1409833364.db2.gz XVJNMUOIIXUBQY-IAGOWNOFSA-N -1 3 384.863 3.134 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000071961869 1409833722 /nfs/dbraw/zinc/83/37/22/1409833722.db2.gz DOYLNPVYCGAVCQ-DLBZAZTESA-N -1 3 392.377 3.061 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1OC ZINC000072005611 1409835878 /nfs/dbraw/zinc/83/58/78/1409835878.db2.gz KHGZZFJUVTXPAB-HZPDHXFCSA-N -1 3 392.452 3.338 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000072007816 1409836506 /nfs/dbraw/zinc/83/65/06/1409836506.db2.gz ZFYOVSNYXQPRBZ-UHFFFAOYSA-N -1 3 396.878 3.385 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000072035752 1409839600 /nfs/dbraw/zinc/83/96/00/1409839600.db2.gz DGLJRRCPOSLHCO-GOSISDBHSA-N -1 3 385.445 3.418 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 ZINC000072035751 1409839654 /nfs/dbraw/zinc/83/96/54/1409839654.db2.gz DGLJRRCPOSLHCO-SFHVURJKSA-N -1 3 385.445 3.418 20 0 GGADHM O=C(Nc1ccc2n[nH]nc2c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000176731465 1428439501 /nfs/dbraw/zinc/43/95/01/1428439501.db2.gz BQINYEFDLCXNMP-UHFFFAOYSA-N -1 3 393.428 3.011 20 0 GGADHM O=C(NCCOc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078520239 1409923505 /nfs/dbraw/zinc/92/35/05/1409923505.db2.gz PWVVIZLVBJAURS-UHFFFAOYSA-N -1 3 386.407 3.046 20 0 GGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c1 ZINC000078549531 1409925063 /nfs/dbraw/zinc/92/50/63/1409925063.db2.gz AINGXLHITSNZLH-UHFFFAOYSA-N -1 3 384.501 3.325 20 0 GGADHM COc1cc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(SC)cc1OC ZINC000821717566 1428441431 /nfs/dbraw/zinc/44/14/31/1428441431.db2.gz QSGLTDGKVXWWCS-LBPRGKRZSA-N -1 3 385.493 3.457 20 0 GGADHM COc1cc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(SC)cc1OC ZINC000821717566 1428441434 /nfs/dbraw/zinc/44/14/34/1428441434.db2.gz QSGLTDGKVXWWCS-LBPRGKRZSA-N -1 3 385.493 3.457 20 0 GGADHM CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821613427 1428442532 /nfs/dbraw/zinc/44/25/32/1428442532.db2.gz NCQYMUBMCPMPRD-MRXNPFEDSA-N -1 3 377.370 3.051 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)COC3)ccc1F ZINC000091683331 1410075615 /nfs/dbraw/zinc/07/56/15/1410075615.db2.gz SUDYLQLRAXHXKJ-UHFFFAOYSA-N -1 3 392.452 3.185 20 0 GGADHM Cc1cccc(-c2n[nH]cc2CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000091811078 1410083887 /nfs/dbraw/zinc/08/38/87/1410083887.db2.gz PQGMAEIOPMXTGI-UHFFFAOYSA-N -1 3 376.460 3.049 20 0 GGADHM COc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1OC(C)C ZINC000091811166 1410083943 /nfs/dbraw/zinc/08/39/43/1410083943.db2.gz NPNWTEGZXMZNTP-UHFFFAOYSA-N -1 3 384.476 3.146 20 0 GGADHM Cc1ccc(-c2n[nH]cc2CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000091923200 1410092249 /nfs/dbraw/zinc/09/22/49/1410092249.db2.gz ZLPPBNMDAIIIMJ-UHFFFAOYSA-N -1 3 376.460 3.049 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000091923299 1410092911 /nfs/dbraw/zinc/09/29/11/1410092911.db2.gz WLUWTAQOWHEQQT-UHFFFAOYSA-N -1 3 380.366 3.091 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000092092271 1410107457 /nfs/dbraw/zinc/10/74/57/1410107457.db2.gz MPALZPODYXHBOQ-YOEHRIQHSA-N -1 3 393.409 3.401 20 0 GGADHM COc1ccc(F)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000092457446 1410159481 /nfs/dbraw/zinc/15/94/81/1410159481.db2.gz IDRXYZMTHYUJEJ-UHFFFAOYSA-N -1 3 398.431 3.303 20 0 GGADHM CCc1cccc(C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)c1[O-] ZINC000094019451 1410293628 /nfs/dbraw/zinc/29/36/28/1410293628.db2.gz UDNQNCHJUXZZCK-UHFFFAOYSA-N -1 3 376.840 3.237 20 0 GGADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnc2n1CCC2 ZINC000094037495 1410296656 /nfs/dbraw/zinc/29/66/56/1410296656.db2.gz PRJFTTUISWLBEV-OAHLLOKOSA-N -1 3 376.460 3.206 20 0 GGADHM O=C(c1cc2c(cc1[O-])OCO2)N(CCc1ccccc1)Cc1cccnc1 ZINC000094091451 1410302477 /nfs/dbraw/zinc/30/24/77/1410302477.db2.gz QMJBMOJEFMFHNM-UHFFFAOYSA-N -1 3 376.412 3.401 20 0 GGADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000094086100 1410302914 /nfs/dbraw/zinc/30/29/14/1410302914.db2.gz MMJJGOLBQDLJCW-MRXNPFEDSA-N -1 3 379.416 3.468 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)c(C)o1 ZINC000094101635 1410304266 /nfs/dbraw/zinc/30/42/66/1410304266.db2.gz BHWQWHFISXBPSQ-AWEZNQCLSA-N -1 3 390.505 3.081 20 0 GGADHM CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000094133737 1410307137 /nfs/dbraw/zinc/30/71/37/1410307137.db2.gz UECAOMAPSXLFNC-MRXNPFEDSA-N -1 3 389.517 3.073 20 0 GGADHM CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000094133736 1410307639 /nfs/dbraw/zinc/30/76/39/1410307639.db2.gz UECAOMAPSXLFNC-INIZCTEOSA-N -1 3 389.517 3.073 20 0 GGADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094138861 1410308102 /nfs/dbraw/zinc/30/81/02/1410308102.db2.gz CYVMOKFIRDWNPR-HZPDHXFCSA-N -1 3 389.517 3.071 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000097023858 1410346536 /nfs/dbraw/zinc/34/65/36/1410346536.db2.gz WKBFWFISEQYJJJ-UHFFFAOYSA-N -1 3 396.534 3.444 20 0 GGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCN(C)CC1 ZINC000097075772 1410350458 /nfs/dbraw/zinc/35/04/58/1410350458.db2.gz YLLRHDHXMIYZAS-UHFFFAOYSA-N -1 3 397.903 3.340 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)C)c(Cl)cc1Cl ZINC000098067563 1410405214 /nfs/dbraw/zinc/40/52/14/1410405214.db2.gz KCYZCNHNPNMJRM-UHFFFAOYSA-N -1 3 381.325 3.314 20 0 GGADHM Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c([O-])c1 ZINC000098106307 1410420054 /nfs/dbraw/zinc/42/00/54/1410420054.db2.gz ZQNRNXCQMIYLLB-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000098105838 1410420124 /nfs/dbraw/zinc/42/01/24/1410420124.db2.gz ABMNKYZNSQEHIH-HXUWFJFHSA-N -1 3 389.455 3.247 20 0 GGADHM Cc1cccc(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1[O-] ZINC000098106306 1410420527 /nfs/dbraw/zinc/42/05/27/1410420527.db2.gz IASXYENRMKNQRX-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM O=C([N-]c1ncc(Cc2cccc(Br)c2)s1)c1cccc[n+]1[O-] ZINC000101521921 1410446470 /nfs/dbraw/zinc/44/64/70/1410446470.db2.gz RTIFRDBRBRLMRN-UHFFFAOYSA-N -1 3 390.262 3.382 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000101636231 1410483727 /nfs/dbraw/zinc/48/37/27/1410483727.db2.gz CKOZIWOSOIVJRH-UHFFFAOYSA-N -1 3 378.392 3.075 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(n2cncn2)CC1 ZINC000101666290 1410487620 /nfs/dbraw/zinc/48/76/20/1410487620.db2.gz YDOMODAJJKROPP-UHFFFAOYSA-N -1 3 376.460 3.246 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c([O-])c1 ZINC000101673750 1410489416 /nfs/dbraw/zinc/48/94/16/1410489416.db2.gz FQOMNCFVEYZBFN-KRWDZBQOSA-N -1 3 392.249 3.377 20 0 GGADHM Cc1cc(N2CCSCC2)ccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000102100152 1410560385 /nfs/dbraw/zinc/56/03/85/1410560385.db2.gz HIEQCNDDKPGYIW-QGOAFFKASA-N -1 3 379.485 3.271 20 0 GGADHM CCCCc1nnc([N-]C(=O)c2oc3ccccc3c2CS(C)(=O)=O)s1 ZINC000102216676 1410579863 /nfs/dbraw/zinc/57/98/63/1410579863.db2.gz ADSLKZKDRSDYKE-UHFFFAOYSA-N -1 3 393.490 3.424 20 0 GGADHM CCOCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000102274085 1410590916 /nfs/dbraw/zinc/59/09/16/1410590916.db2.gz DLXKPGXIIMFCNK-UHFFFAOYSA-N -1 3 394.468 3.301 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c(=O)[n-]1 ZINC000102736613 1410719466 /nfs/dbraw/zinc/71/94/66/1410719466.db2.gz OGWKBXUUBWUCMB-UHFFFAOYSA-N -1 3 395.503 3.226 20 0 GGADHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000102748099 1410721686 /nfs/dbraw/zinc/72/16/86/1410721686.db2.gz QPBHAUBDJRVEHZ-UHFFFAOYSA-N -1 3 388.823 3.256 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000102748070 1410722005 /nfs/dbraw/zinc/72/20/05/1410722005.db2.gz FCRUTEJSRDOMPA-UHFFFAOYSA-N -1 3 384.860 3.425 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)cc12 ZINC000102748269 1410722235 /nfs/dbraw/zinc/72/22/35/1410722235.db2.gz KJLUMCNXJMYXOD-UHFFFAOYSA-N -1 3 388.346 3.235 20 0 GGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000102748291 1410722370 /nfs/dbraw/zinc/72/23/70/1410722370.db2.gz UYNJYHMEKDYVAN-UHFFFAOYSA-N -1 3 390.358 3.347 20 0 GGADHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)n1C1CCCCC1 ZINC000102784266 1410755882 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GGADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCc1ccccn1 ZINC000103349385 1410849815 /nfs/dbraw/zinc/84/98/15/1410849815.db2.gz GSJDEXGBOISNKB-UHFFFAOYSA-N -1 3 375.454 3.224 20 0 GGADHM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(C)Cc3ccccc32)c1 ZINC000103447050 1410857539 /nfs/dbraw/zinc/85/75/39/1410857539.db2.gz BZTJDSDBGHVQAE-UHFFFAOYSA-N -1 3 393.516 3.395 20 0 GGADHM CC(C)N(CCCNC(=O)c1c[n-]c2ccccc2c1=O)C(=O)OC(C)(C)C ZINC000103446249 1410857583 /nfs/dbraw/zinc/85/75/83/1410857583.db2.gz GLQOEJACLOTYLV-UHFFFAOYSA-N -1 3 387.480 3.294 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c(=O)[n-]1 ZINC000103522481 1410866026 /nfs/dbraw/zinc/86/60/26/1410866026.db2.gz MAHDZUGOXXSBIO-UHFFFAOYSA-N -1 3 387.443 3.122 20 0 GGADHM O=C(N[C@H](c1ccccc1)C1CCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000103871541 1410878105 /nfs/dbraw/zinc/87/81/05/1410878105.db2.gz ZEMKXJYMLNEMTB-OAQYLSRUSA-N -1 3 393.487 3.401 20 0 GGADHM Cc1nn(C)c(Cl)c1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000103924371 1410878650 /nfs/dbraw/zinc/87/86/50/1410878650.db2.gz VAWPDTUJDHZMGA-UHFFFAOYSA-N -1 3 386.868 3.096 20 0 GGADHM CCN1CCCC[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000104258048 1410889197 /nfs/dbraw/zinc/88/91/97/1410889197.db2.gz VAHRTCGRPOKIFS-IBGZPJMESA-N -1 3 387.505 3.300 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)cc1Cl ZINC000104733744 1410948954 /nfs/dbraw/zinc/94/89/54/1410948954.db2.gz WLHCVZYIEZHQPI-OAHLLOKOSA-N -1 3 382.844 3.403 20 0 GGADHM O=C(COC(=O)c1cccnc1Nc1ccccc1F)[N-]C(=O)c1cccs1 ZINC000104771579 1410959593 /nfs/dbraw/zinc/95/95/93/1410959593.db2.gz CIYPVDCPNVIXOU-UHFFFAOYSA-N -1 3 399.403 3.139 20 0 GGADHM O=C(NC1CCN(Cc2ccccc2)CC1)c1nn(-c2ccccc2F)cc1[O-] ZINC000104826314 1410970741 /nfs/dbraw/zinc/97/07/41/1410970741.db2.gz AIDZSNXWPSZGNC-UHFFFAOYSA-N -1 3 394.450 3.111 20 0 GGADHM CC(=O)N1CCC(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000104942048 1411003688 /nfs/dbraw/zinc/00/36/88/1411003688.db2.gz AQBFQXCJJSDPNP-UHFFFAOYSA-N -1 3 380.488 3.166 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC000104943136 1411003761 /nfs/dbraw/zinc/00/37/61/1411003761.db2.gz JAFSJFLJKJVNFD-UHFFFAOYSA-N -1 3 381.476 3.087 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1F ZINC000105389570 1411061619 /nfs/dbraw/zinc/06/16/19/1411061619.db2.gz FANPNSHRPIGNJR-UHFFFAOYSA-N -1 3 377.315 3.221 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)ccc1OC(C)C ZINC000105390310 1411061904 /nfs/dbraw/zinc/06/19/04/1411061904.db2.gz ZGMZHYWTRJOQCC-UHFFFAOYSA-N -1 3 388.489 3.492 20 0 GGADHM CCCn1cc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)ccc1=O ZINC000105591268 1411088675 /nfs/dbraw/zinc/08/86/75/1411088675.db2.gz VXJUKYJIYXLDOW-UHFFFAOYSA-N -1 3 391.276 3.375 20 0 GGADHM Cc1ccccc1[C@@H](C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105593766 1411088797 /nfs/dbraw/zinc/08/87/97/1411088797.db2.gz NGFSNQRIHWFFQB-GFCCVEGCSA-N -1 3 394.443 3.205 20 0 GGADHM O=C(Nc1ccc(Cl)cc1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105592628 1411089136 /nfs/dbraw/zinc/08/91/36/1411089136.db2.gz NLIYSBCCLLLXAW-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM Cc1cc(F)ccc1NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105592933 1411089240 /nfs/dbraw/zinc/08/92/40/1411089240.db2.gz CVAGABNDPVICHW-UHFFFAOYSA-N -1 3 384.379 3.105 20 0 GGADHM Cc1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1F ZINC000105592808 1411089281 /nfs/dbraw/zinc/08/92/81/1411089281.db2.gz NVERMNRPIHENRG-UHFFFAOYSA-N -1 3 384.379 3.105 20 0 GGADHM Cc1cccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c1C ZINC000105592597 1411089358 /nfs/dbraw/zinc/08/93/58/1411089358.db2.gz AZXFCGSOLIWUKM-UHFFFAOYSA-N -1 3 380.416 3.275 20 0 GGADHM CC(C)CCC[C@@H](C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105594269 1411089767 /nfs/dbraw/zinc/08/97/67/1411089767.db2.gz VDPSKCJRRRDPFH-GFCCVEGCSA-N -1 3 388.480 3.350 20 0 GGADHM C[C@@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c2ccccc21 ZINC000105595588 1411089819 /nfs/dbraw/zinc/08/98/19/1411089819.db2.gz CHWQLROCMYEUET-LLVKDONJSA-N -1 3 392.427 3.169 20 0 GGADHM Cc1ccc(C(=O)N[C@@H](CC(=O)[N-]O[C@@H]2CCCCO2)c2ccccc2)cc1 ZINC000105598051 1411090100 /nfs/dbraw/zinc/09/01/00/1411090100.db2.gz QGOASVLGQTVFJY-PZJWPPBQSA-N -1 3 382.460 3.431 20 0 GGADHM Cc1ccc(C(=O)N[C@H](CC(=O)[N-]O[C@H]2CCCCO2)c2ccccc2)cc1 ZINC000105598057 1411090365 /nfs/dbraw/zinc/09/03/65/1411090365.db2.gz QGOASVLGQTVFJY-CTNGQTDRSA-N -1 3 382.460 3.431 20 0 GGADHM CC(C)(C)CCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105600404 1411091117 /nfs/dbraw/zinc/09/11/17/1411091117.db2.gz IRFYCEZPJXCNJG-UHFFFAOYSA-N -1 3 388.480 3.352 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1F ZINC000105978088 1411138329 /nfs/dbraw/zinc/13/83/29/1411138329.db2.gz UMAVORKPTZRYAA-UHFFFAOYSA-N -1 3 376.453 3.059 20 0 GGADHM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000106007145 1411146656 /nfs/dbraw/zinc/14/66/56/1411146656.db2.gz BDTJYOKZFJHUND-ZDUSSCGKSA-N -1 3 386.473 3.011 20 0 GGADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000106007116 1411147706 /nfs/dbraw/zinc/14/77/06/1411147706.db2.gz CUEFXZJDPQYUQR-ZDUSSCGKSA-N -1 3 386.473 3.468 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)CCCCCC2)no1 ZINC000106227570 1411182027 /nfs/dbraw/zinc/18/20/27/1411182027.db2.gz WLSWAWIEGRESIN-ZDUSSCGKSA-N -1 3 391.493 3.229 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCCCCC2)no1 ZINC000106227574 1411182073 /nfs/dbraw/zinc/18/20/73/1411182073.db2.gz WLSWAWIEGRESIN-CYBMUJFWSA-N -1 3 391.493 3.229 20 0 GGADHM COc1ccc2oc([C@@H](C)NC(=O)CCc3c(C)nc(C)[n-]c3=O)c(C)c2c1 ZINC000106665517 1411274878 /nfs/dbraw/zinc/27/48/78/1411274878.db2.gz UFZIBRTYWNIZNO-CYBMUJFWSA-N -1 3 383.448 3.260 20 0 GGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000106703702 1411280924 /nfs/dbraw/zinc/28/09/24/1411280924.db2.gz TUAHLGPMORGFOK-UHFFFAOYSA-N -1 3 396.451 3.488 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC000106708933 1411284340 /nfs/dbraw/zinc/28/43/40/1411284340.db2.gz PGNLUTUSHUPBLJ-UHFFFAOYSA-N -1 3 399.535 3.448 20 0 GGADHM O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1c[n-]c2ccccc2c1=O ZINC000106832107 1411308566 /nfs/dbraw/zinc/30/85/66/1411308566.db2.gz XBHJCCUQEYDXTD-UHFFFAOYSA-N -1 3 380.404 3.362 20 0 GGADHM Cc1cc(C)n2ncc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)c2n1 ZINC000106832175 1411308854 /nfs/dbraw/zinc/30/88/54/1411308854.db2.gz KONLKHFDUJMEDS-UHFFFAOYSA-N -1 3 382.424 3.180 20 0 GGADHM CCc1cc2c(CN3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC000106870032 1411313823 /nfs/dbraw/zinc/31/38/23/1411313823.db2.gz VUWQFALLCAQZTP-OAHLLOKOSA-N -1 3 388.464 3.160 20 0 GGADHM COc1ccc2oc([C@@H](C)NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c(C)c2c1 ZINC000106919538 1411320311 /nfs/dbraw/zinc/32/03/11/1411320311.db2.gz GNYGMUHMHNBORZ-LLVKDONJSA-N -1 3 378.384 3.124 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c([O-])c1 ZINC000106920724 1411321054 /nfs/dbraw/zinc/32/10/54/1411321054.db2.gz JWGIFIIABSIXFO-ZDUSSCGKSA-N -1 3 389.521 3.452 20 0 GGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000107165285 1411345939 /nfs/dbraw/zinc/34/59/39/1411345939.db2.gz VCRCRHOUOBBFPC-UHFFFAOYSA-N -1 3 396.451 3.488 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000107176001 1411347691 /nfs/dbraw/zinc/34/76/91/1411347691.db2.gz PMJZVHCUFRPIPP-CYBMUJFWSA-N -1 3 382.489 3.320 20 0 GGADHM Cc1cc(C)n2ncc(C(=O)[N-]c3nnc(Cc4cccc(F)c4)s3)c2n1 ZINC000107269820 1411356475 /nfs/dbraw/zinc/35/64/75/1411356475.db2.gz YYFJYDRDWKDIRC-UHFFFAOYSA-N -1 3 382.424 3.180 20 0 GGADHM Cc1cc(C)cc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000107338232 1411362091 /nfs/dbraw/zinc/36/20/91/1411362091.db2.gz MLDYOLUYYMCDNW-QGZVFWFLSA-N -1 3 381.476 3.238 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc([O-])cc1 ZINC000107346453 1411363422 /nfs/dbraw/zinc/36/34/22/1411363422.db2.gz SPTWJFRYVKVUCE-CVEARBPZSA-N -1 3 393.270 3.349 20 0 GGADHM O=C([N-]c1nncs1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000108154426 1411443418 /nfs/dbraw/zinc/44/34/18/1411443418.db2.gz IPACYYQKCJRHDW-UHFFFAOYSA-N -1 3 391.190 3.313 20 0 GGADHM Cc1nonc1[N-]C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000108165290 1411446213 /nfs/dbraw/zinc/44/62/13/1411446213.db2.gz HVYAFJDTFVHTCL-UHFFFAOYSA-N -1 3 389.149 3.153 20 0 GGADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)no1 ZINC000108250955 1411459370 /nfs/dbraw/zinc/45/93/70/1411459370.db2.gz ATNPZXWYJRGMHZ-UHFFFAOYSA-N -1 3 377.397 3.205 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CSc2ccc(C)cc2)cc1OC ZINC000108545258 1411534415 /nfs/dbraw/zinc/53/44/15/1411534415.db2.gz IQXFNDUPFQSPKY-UHFFFAOYSA-N -1 3 394.518 3.496 20 0 GGADHM CCOc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000108548118 1411535725 /nfs/dbraw/zinc/53/57/25/1411535725.db2.gz YQNYTNHFFMHGBS-UHFFFAOYSA-N -1 3 378.450 3.108 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1OC ZINC000108548803 1411535866 /nfs/dbraw/zinc/53/58/66/1411535866.db2.gz JDFRYTNUVCLMBX-UHFFFAOYSA-N -1 3 392.477 3.091 20 0 GGADHM O=S(=O)(Cc1cc(-c2ccco2)on1)c1nnc(CCC2CCCC2)[n-]1 ZINC000108592829 1411546203 /nfs/dbraw/zinc/54/62/03/1411546203.db2.gz UZFSCRQAGNKCAW-UHFFFAOYSA-N -1 3 376.438 3.149 20 0 GGADHM O=S(=O)(Cc1cc(-c2ccco2)on1)c1nc(CCC2CCCC2)n[n-]1 ZINC000108592829 1411546207 /nfs/dbraw/zinc/54/62/07/1411546207.db2.gz UZFSCRQAGNKCAW-UHFFFAOYSA-N -1 3 376.438 3.149 20 0 GGADHM Cc1cc(C)cc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000108658765 1411564570 /nfs/dbraw/zinc/56/45/70/1411564570.db2.gz ZUVKSZWPDPSQOL-UHFFFAOYSA-N -1 3 376.478 3.471 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]1C ZINC000177096721 1428586784 /nfs/dbraw/zinc/58/67/84/1428586784.db2.gz LVTGBWWTEHDWMB-ZIAGYGMSSA-N -1 3 376.453 3.497 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000109189282 1411708210 /nfs/dbraw/zinc/70/82/10/1411708210.db2.gz RNKOXWVUKPOWFX-LBPRGKRZSA-N -1 3 398.413 3.229 20 0 GGADHM CC[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000109364179 1411748885 /nfs/dbraw/zinc/74/88/85/1411748885.db2.gz VFARDOHFOBBUSO-MRXNPFEDSA-N -1 3 380.441 3.298 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000109423449 1411758922 /nfs/dbraw/zinc/75/89/22/1411758922.db2.gz MNIRFSAIOUCROB-UHFFFAOYSA-N -1 3 397.903 3.340 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(N2CCCC2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000109425768 1411760482 /nfs/dbraw/zinc/76/04/82/1411760482.db2.gz OTXIFEOETRCNAW-UHFFFAOYSA-N -1 3 380.416 3.301 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(COc2ccccc2)no1 ZINC000109481748 1411771483 /nfs/dbraw/zinc/77/14/83/1411771483.db2.gz QMDKALCVLAZQFE-LBPRGKRZSA-N -1 3 393.852 3.342 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3sc(Cl)nc3C)n[nH]2)c(OC)c1 ZINC000177124140 1428594709 /nfs/dbraw/zinc/59/47/09/1428594709.db2.gz CCAXMKUQDGWPAL-UHFFFAOYSA-N -1 3 379.829 3.160 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)ccc1F ZINC000109604766 1411798363 /nfs/dbraw/zinc/79/83/63/1411798363.db2.gz UQWHHZBIEFXQNM-UHFFFAOYSA-N -1 3 379.388 3.369 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC000109625007 1411801291 /nfs/dbraw/zinc/80/12/91/1411801291.db2.gz NNDYFEFBOMGUFI-UHFFFAOYSA-N -1 3 389.394 3.321 20 0 GGADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000109626014 1411801303 /nfs/dbraw/zinc/80/13/03/1411801303.db2.gz OAAFPTDFBVWSOH-UHFFFAOYSA-N -1 3 392.394 3.448 20 0 GGADHM Cc1cc(C)c(NC(=O)CO[N-]C(=O)CCOc2ccccc2)c(Cl)c1 ZINC000109744522 1411807222 /nfs/dbraw/zinc/80/72/22/1411807222.db2.gz AJAPBJNQNSSFBT-UHFFFAOYSA-N -1 3 376.840 3.412 20 0 GGADHM Cc1cc(C(=O)CO[N-]C(=O)CCOc2ccccc2)c(C)n1-c1nccs1 ZINC000109744236 1411807374 /nfs/dbraw/zinc/80/73/74/1411807374.db2.gz NWUGBQMOWMLBRW-UHFFFAOYSA-N -1 3 399.472 3.250 20 0 GGADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1nnc2ccccc2c1[O-] ZINC000109942335 1411820015 /nfs/dbraw/zinc/82/00/15/1411820015.db2.gz WCUTVACXCSWYFK-UHFFFAOYSA-N -1 3 377.322 3.094 20 0 GGADHM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1nnc2ccccc2c1[O-] ZINC000109946118 1411820287 /nfs/dbraw/zinc/82/02/87/1411820287.db2.gz ZKODXUOPBAMICD-UHFFFAOYSA-N -1 3 380.404 3.362 20 0 GGADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1nnc2ccccc2c1[O-] ZINC000109961359 1411821512 /nfs/dbraw/zinc/82/15/12/1411821512.db2.gz MIAZAYSBZOAUCV-UHFFFAOYSA-N -1 3 390.374 3.180 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCN3C)ccc2C)c1 ZINC000110040839 1411827100 /nfs/dbraw/zinc/82/71/00/1411827100.db2.gz NPWICHHZFQFYBF-SFHVURJKSA-N -1 3 387.505 3.137 20 0 GGADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000110062768 1411828831 /nfs/dbraw/zinc/82/88/31/1411828831.db2.gz YEVQJYBNMARWHA-UHFFFAOYSA-N -1 3 390.321 3.153 20 0 GGADHM Cn1cc(N2CC[C@@H](Sc3nnc([N-]c4ccccc4F)s3)C2=O)cn1 ZINC000110134404 1411833017 /nfs/dbraw/zinc/83/30/17/1411833017.db2.gz LKTMKCMIYGZCCL-CYBMUJFWSA-N -1 3 390.469 3.052 20 0 GGADHM COCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000110135309 1411833323 /nfs/dbraw/zinc/83/33/23/1411833323.db2.gz QGKAYKNGXXCSGV-MRXNPFEDSA-N -1 3 390.505 3.259 20 0 GGADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)NCc1ccccc1 ZINC000110225897 1411838682 /nfs/dbraw/zinc/83/86/82/1411838682.db2.gz BPCHVXBSHWTXBA-KRWDZBQOSA-N -1 3 388.467 3.418 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2cccnc2)no1 ZINC000110336223 1411845694 /nfs/dbraw/zinc/84/56/94/1411845694.db2.gz FTCBEIQIAXNNQE-INIZCTEOSA-N -1 3 390.440 3.087 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 ZINC000110387738 1411848096 /nfs/dbraw/zinc/84/80/96/1411848096.db2.gz OGELAIVROFVNDI-CQSZACIVSA-N -1 3 398.488 3.286 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cs1 ZINC000110502953 1411853616 /nfs/dbraw/zinc/85/36/16/1411853616.db2.gz IDINJSOLJTZRMY-LLVKDONJSA-N -1 3 399.513 3.022 20 0 GGADHM CC(C)[C@H](C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)N(C)C ZINC000110634280 1411861684 /nfs/dbraw/zinc/86/16/84/1411861684.db2.gz IGAYTBYDQNKKDC-MRXNPFEDSA-N -1 3 399.513 3.213 20 0 GGADHM C[C@H](c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)N1CCOCC1 ZINC000110720305 1411865543 /nfs/dbraw/zinc/86/55/43/1411865543.db2.gz VKKUVQOXXPVHGG-OAHLLOKOSA-N -1 3 377.444 3.174 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC[C@H]1CCCCO1 ZINC000110719647 1411865576 /nfs/dbraw/zinc/86/55/76/1411865576.db2.gz VNBWMGMZCKLXIG-GFCCVEGCSA-N -1 3 394.415 3.365 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c(=O)[n-]1 ZINC000110970856 1411879829 /nfs/dbraw/zinc/87/98/29/1411879829.db2.gz FZWDIGKAVBEMSM-UHFFFAOYSA-N -1 3 396.466 3.346 20 0 GGADHM CN(CC1CCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000111069324 1411885708 /nfs/dbraw/zinc/88/57/08/1411885708.db2.gz LILHWDZFVFOHEP-UHFFFAOYSA-N -1 3 376.453 3.499 20 0 GGADHM C[C@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1ccccc1Cl ZINC000111180193 1411894092 /nfs/dbraw/zinc/89/40/92/1411894092.db2.gz HMMMYDQCLNRVLX-AWEZNQCLSA-N -1 3 376.840 3.034 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)cc1Cl ZINC000111349889 1411920342 /nfs/dbraw/zinc/92/03/42/1411920342.db2.gz LZHNQBWTBNCNHH-CYBMUJFWSA-N -1 3 396.871 3.446 20 0 GGADHM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CCC5)[nH]c4c3)cc2oc1=O ZINC000177166264 1428608730 /nfs/dbraw/zinc/60/87/30/1428608730.db2.gz NGFJAVLSWBNGHK-UHFFFAOYSA-N -1 3 398.444 3.076 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(CC3CC3)c3ccccc3)nc(=O)c2c1C ZINC000177177893 1428616458 /nfs/dbraw/zinc/61/64/58/1428616458.db2.gz LJIVLXAEPPACIP-UHFFFAOYSA-N -1 3 383.473 3.496 20 0 GGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000111537463 1411988811 /nfs/dbraw/zinc/98/88/11/1411988811.db2.gz OZDXIQNQODTFCJ-ICSRJNTNSA-N -1 3 393.487 3.196 20 0 GGADHM Cc1nc(C)c(-c2csc(NC(=O)c3nnc4ccccc4c3[O-])n2)s1 ZINC000111568722 1411992755 /nfs/dbraw/zinc/99/27/55/1411992755.db2.gz SMPVFYDQUSKTTH-UHFFFAOYSA-N -1 3 383.458 3.372 20 0 GGADHM CC[C@@H](C)[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2[nH]1 ZINC000111575020 1411995321 /nfs/dbraw/zinc/99/53/21/1411995321.db2.gz ZRXDDHAYHDTCMU-SJKOYZFVSA-N -1 3 375.432 3.317 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)c3nnc4ccccc4c3[O-])s2)c(C)c1 ZINC000111582289 1411995969 /nfs/dbraw/zinc/99/59/69/1411995969.db2.gz HETBJKHGPRKGOC-UHFFFAOYSA-N -1 3 377.429 3.311 20 0 GGADHM CN(Cc1csc(Br)c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000111580031 1411996124 /nfs/dbraw/zinc/99/61/24/1411996124.db2.gz LFYPQSFXEBXNAM-UHFFFAOYSA-N -1 3 378.251 3.019 20 0 GGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111595308 1411998810 /nfs/dbraw/zinc/99/88/10/1411998810.db2.gz NPUCRRYNEFSSGL-AWEZNQCLSA-N -1 3 396.878 3.141 20 0 GGADHM Cc1c(NC(=O)c2nnc3ccccc3c2[O-])cccc1OCC(F)(F)F ZINC000111599734 1412000048 /nfs/dbraw/zinc/00/00/48/1412000048.db2.gz APYZLUAWCNSMII-UHFFFAOYSA-N -1 3 377.322 3.425 20 0 GGADHM COc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1OC1CCCC1 ZINC000111607486 1412000854 /nfs/dbraw/zinc/00/08/54/1412000854.db2.gz NOBWKXNUCKVVOQ-UHFFFAOYSA-N -1 3 393.443 3.183 20 0 GGADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1n[nH]cc1Br ZINC000111617919 1412002578 /nfs/dbraw/zinc/00/25/78/1412002578.db2.gz KBYICRIVMFLKRF-UHFFFAOYSA-N -1 3 382.218 3.006 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000111659470 1412009367 /nfs/dbraw/zinc/00/93/67/1412009367.db2.gz PXQOKXOYNYFCMY-RLLQIKCJSA-N -1 3 378.472 3.449 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000111659468 1412009653 /nfs/dbraw/zinc/00/96/53/1412009653.db2.gz PXQOKXOYNYFCMY-SXLOBPIMSA-N -1 3 378.472 3.449 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000177179201 1428616485 /nfs/dbraw/zinc/61/64/85/1428616485.db2.gz FKHYUNFARGTHQV-UHFFFAOYSA-N -1 3 394.393 3.291 20 0 GGADHM C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177180164 1428617487 /nfs/dbraw/zinc/61/74/87/1428617487.db2.gz BNKRMRMWUWHFGZ-CYBMUJFWSA-N -1 3 384.461 3.023 20 0 GGADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177179936 1428617651 /nfs/dbraw/zinc/61/76/51/1428617651.db2.gz VTURLTAXQFFRSG-KRWDZBQOSA-N -1 3 395.503 3.301 20 0 GGADHM Cc1ccc2c(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc(=O)oc2c1C ZINC000177181446 1428618164 /nfs/dbraw/zinc/61/81/64/1428618164.db2.gz XJTNKQRGJABWSP-UHFFFAOYSA-N -1 3 392.455 3.073 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000177181177 1428618515 /nfs/dbraw/zinc/61/85/15/1428618515.db2.gz CKADGRBQOVOUSM-UHFFFAOYSA-N -1 3 399.397 3.283 20 0 GGADHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCOCC1 ZINC000111994925 1412064124 /nfs/dbraw/zinc/06/41/24/1412064124.db2.gz AECCWAHYIYHGQG-CYBMUJFWSA-N -1 3 382.432 3.159 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000111994943 1412064722 /nfs/dbraw/zinc/06/47/22/1412064722.db2.gz LLJHYXWCEBNSHD-INIZCTEOSA-N -1 3 390.505 3.198 20 0 GGADHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)N1CCOCC1 ZINC000111994967 1412064986 /nfs/dbraw/zinc/06/49/86/1412064986.db2.gz LDNLMARNRLZOIX-MRXNPFEDSA-N -1 3 386.517 3.369 20 0 GGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000111994980 1412065161 /nfs/dbraw/zinc/06/51/61/1412065161.db2.gz BMYKDOICIKSYEF-HNNXBMFYSA-N -1 3 378.469 3.328 20 0 GGADHM CCS[C@@H]1CCCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000112089816 1412075132 /nfs/dbraw/zinc/07/51/32/1412075132.db2.gz VKXRMULXGPPRGX-GFCCVEGCSA-N -1 3 395.550 3.187 20 0 GGADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000112324564 1412131204 /nfs/dbraw/zinc/13/12/04/1412131204.db2.gz VWIDCCIXUKYBNX-UHFFFAOYSA-N -1 3 384.457 3.104 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cc1OC ZINC000112336360 1412132287 /nfs/dbraw/zinc/13/22/87/1412132287.db2.gz HUBNEIGWGWKONP-UHFFFAOYSA-N -1 3 398.228 3.396 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2cc(F)ccc2Br)cc1OC ZINC000112336321 1412132426 /nfs/dbraw/zinc/13/24/26/1412132426.db2.gz YDBUCOCEKJXELA-UHFFFAOYSA-N -1 3 398.228 3.396 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2ccc(Br)cc2F)cc1OC ZINC000112336329 1412132463 /nfs/dbraw/zinc/13/24/63/1412132463.db2.gz SCNDTTPXPMIXQH-UHFFFAOYSA-N -1 3 398.228 3.396 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2nc(-c3ccccc3)oc2C)cc1OC ZINC000112336357 1412132651 /nfs/dbraw/zinc/13/26/51/1412132651.db2.gz VBZKUIQTKDTIKY-UHFFFAOYSA-N -1 3 382.416 3.458 20 0 GGADHM O=C(c1ccccc1)N1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000112534479 1412164621 /nfs/dbraw/zinc/16/46/21/1412164621.db2.gz YEGUNUNIUUZNTN-HNNXBMFYSA-N -1 3 396.871 3.062 20 0 GGADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cn(Cc2ccccc2)nn1 ZINC000112596174 1412176116 /nfs/dbraw/zinc/17/61/16/1412176116.db2.gz RLCVXDYALNZNRI-UHFFFAOYSA-N -1 3 380.408 3.236 20 0 GGADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000112643780 1412185739 /nfs/dbraw/zinc/18/57/39/1412185739.db2.gz YYOVFKLGLPYMKR-JOCHJYFZSA-N -1 3 390.487 3.271 20 0 GGADHM O=C([N-]NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000112823628 1412222235 /nfs/dbraw/zinc/22/22/35/1412222235.db2.gz GIKRTTQRQGBHCB-LSDHHAIUSA-N -1 3 380.370 3.002 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CC(F)F ZINC000112900262 1412232930 /nfs/dbraw/zinc/23/29/30/1412232930.db2.gz FJASREBUTIAGPR-UHFFFAOYSA-N -1 3 386.395 3.272 20 0 GGADHM O=C(Cn1cnc([N-]C(=O)c2occc2-c2ccccc2)n1)N1CCCCCC1 ZINC000113165749 1412269962 /nfs/dbraw/zinc/26/99/62/1412269962.db2.gz GRYQSWJSTFFTRG-UHFFFAOYSA-N -1 3 393.447 3.193 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](C)c1ccccc1 ZINC000177222561 1428638856 /nfs/dbraw/zinc/63/88/56/1428638856.db2.gz YAMMKVNRSRFAQO-KGLIPLIRSA-N -1 3 390.480 3.188 20 0 GGADHM CCCN(CCc1cccc(F)c1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000113266669 1412287596 /nfs/dbraw/zinc/28/75/96/1412287596.db2.gz HHNORCGSPDJCAG-UHFFFAOYSA-N -1 3 375.469 3.102 20 0 GGADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c1 ZINC000114054246 1412377966 /nfs/dbraw/zinc/37/79/66/1412377966.db2.gz CUOOWUPTMHCMBE-UHFFFAOYSA-N -1 3 396.896 3.297 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1F ZINC000114742795 1412515903 /nfs/dbraw/zinc/51/59/03/1412515903.db2.gz YIGLBTHTDDQKTI-UHFFFAOYSA-N -1 3 399.806 3.189 20 0 GGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccc(CS(C)(=O)=O)o3)s2)c1 ZINC000115149642 1412598272 /nfs/dbraw/zinc/59/82/72/1412598272.db2.gz KODHWPGDGRHBPB-UHFFFAOYSA-N -1 3 391.474 3.212 20 0 GGADHM CC/C=C(/C)C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240606 1412618644 /nfs/dbraw/zinc/61/86/44/1412618644.db2.gz LPOZSCBHUWDNGP-UUASQNMZSA-N -1 3 388.489 3.469 20 0 GGADHM C/C=C/C=C/C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240624 1412618853 /nfs/dbraw/zinc/61/88/53/1412618853.db2.gz RHYCYFHSXHFIBA-PRKJJMSOSA-N -1 3 386.473 3.245 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)N(C)C ZINC000115311683 1412644055 /nfs/dbraw/zinc/64/40/55/1412644055.db2.gz AZDQSEPZUOOFLB-UHFFFAOYSA-N -1 3 376.478 3.123 20 0 GGADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000115311704 1412644106 /nfs/dbraw/zinc/64/41/06/1412644106.db2.gz BWTOBQYHNRFEBD-UHFFFAOYSA-N -1 3 376.478 3.069 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1C(=O)N(C)C ZINC000115311732 1412644305 /nfs/dbraw/zinc/64/43/05/1412644305.db2.gz HNMXLVOZABACHI-UHFFFAOYSA-N -1 3 390.505 3.495 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)c(Cl)c2)cc1 ZINC000115312632 1412645422 /nfs/dbraw/zinc/64/54/22/1412645422.db2.gz KPTJDONJMLHNEM-UHFFFAOYSA-N -1 3 396.896 3.170 20 0 GGADHM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571327 1412716524 /nfs/dbraw/zinc/71/65/24/1412716524.db2.gz XNQGYPBNTGPOLX-LJQANCHMSA-N -1 3 378.428 3.126 20 0 GGADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000115646548 1412745009 /nfs/dbraw/zinc/74/50/09/1412745009.db2.gz RDPZZBBGFNWMMS-UHFFFAOYSA-N -1 3 390.739 3.027 20 0 GGADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000115646548 1412745019 /nfs/dbraw/zinc/74/50/19/1412745019.db2.gz RDPZZBBGFNWMMS-UHFFFAOYSA-N -1 3 390.739 3.027 20 0 GGADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccccn3)n2)n[nH]1 ZINC000116196343 1412841118 /nfs/dbraw/zinc/84/11/18/1412841118.db2.gz MWMXAXXCWZIINI-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCc2cc(F)ccc21 ZINC000116347693 1412851718 /nfs/dbraw/zinc/85/17/18/1412851718.db2.gz ROVKYMXPNVVDKT-UHFFFAOYSA-N -1 3 392.434 3.191 20 0 GGADHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000116358064 1412852664 /nfs/dbraw/zinc/85/26/64/1412852664.db2.gz BQSRHUPOKRTVSX-CQSZACIVSA-N -1 3 380.460 3.469 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(-n4cccn4)c3)c2)n1 ZINC000116629750 1412888994 /nfs/dbraw/zinc/88/89/94/1412888994.db2.gz JIEVLQNAGGNPMP-UHFFFAOYSA-N -1 3 385.427 3.437 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C(C)C)cc2)cc1 ZINC000116710119 1412900274 /nfs/dbraw/zinc/90/02/74/1412900274.db2.gz GJBBBQSDXCTOTB-UHFFFAOYSA-N -1 3 376.478 3.253 20 0 GGADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1)C(C)C ZINC000116710160 1412900719 /nfs/dbraw/zinc/90/07/19/1412900719.db2.gz WNJOWYJHPUTRDT-UHFFFAOYSA-N -1 3 388.489 3.179 20 0 GGADHM O=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000116789430 1412923830 /nfs/dbraw/zinc/92/38/30/1412923830.db2.gz ILMWLRACAFKJMX-UHFFFAOYSA-N -1 3 389.383 3.413 20 0 GGADHM CC(C)OC(=O)NCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000116864025 1412943745 /nfs/dbraw/zinc/94/37/45/1412943745.db2.gz BQGROQBUBVQASF-UHFFFAOYSA-N -1 3 379.416 3.415 20 0 GGADHM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000116902631 1412952388 /nfs/dbraw/zinc/95/23/88/1412952388.db2.gz LSYXVBPWYSIWPE-JOCHJYFZSA-N -1 3 391.864 3.184 20 0 GGADHM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000116902633 1412952833 /nfs/dbraw/zinc/95/28/33/1412952833.db2.gz LSYXVBPWYSIWPE-QFIPXVFZSA-N -1 3 391.864 3.184 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)c(C)c1C ZINC000117228045 1413014930 /nfs/dbraw/zinc/01/49/30/1413014930.db2.gz MOBACHRLVGJYFV-UHFFFAOYSA-N -1 3 390.505 3.180 20 0 GGADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000117228386 1413015119 /nfs/dbraw/zinc/01/51/19/1413015119.db2.gz SXJLVVOJSKBVSU-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C)C(C)=O ZINC000117228202 1413015442 /nfs/dbraw/zinc/01/54/42/1413015442.db2.gz NWGWMNHYMFMOIX-UHFFFAOYSA-N -1 3 390.505 3.481 20 0 GGADHM CC(C)(CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)Cc1ccccc1 ZINC000117505641 1413043913 /nfs/dbraw/zinc/04/39/13/1413043913.db2.gz GLRCJXPIGKXVHG-UHFFFAOYSA-N -1 3 395.503 3.129 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC(C)C ZINC000117924041 1413089643 /nfs/dbraw/zinc/08/96/43/1413089643.db2.gz SCKOECCLXNBUGD-KRWDZBQOSA-N -1 3 378.494 3.021 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1C ZINC000118161625 1413118466 /nfs/dbraw/zinc/11/84/66/1413118466.db2.gz LJMCMOGQKSEOEV-UHFFFAOYSA-N -1 3 375.425 3.438 20 0 GGADHM O=C(Nc1ccccc1NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000118312768 1413147860 /nfs/dbraw/zinc/14/78/60/1413147860.db2.gz ZCWHJVMNGHDRFE-UHFFFAOYSA-N -1 3 384.395 3.428 20 0 GGADHM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1nnc2ccccc2c1[O-] ZINC000118319175 1413149494 /nfs/dbraw/zinc/14/94/94/1413149494.db2.gz ZECDMDFVGHDGGY-UHFFFAOYSA-N -1 3 399.332 3.380 20 0 GGADHM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118326109 1413150423 /nfs/dbraw/zinc/15/04/23/1413150423.db2.gz NHYDOJDYQJLZEZ-UHFFFAOYSA-N -1 3 389.440 3.425 20 0 GGADHM CCOCCOc1c(Cl)cccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118322384 1413150529 /nfs/dbraw/zinc/15/05/29/1413150529.db2.gz UZJRFYBYZTXMAM-UHFFFAOYSA-N -1 3 387.823 3.244 20 0 GGADHM COCc1c(Br)cccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118325911 1413150638 /nfs/dbraw/zinc/15/06/38/1413150638.db2.gz XYHZVMVCHQPXIQ-UHFFFAOYSA-N -1 3 388.221 3.084 20 0 GGADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118335582 1413152373 /nfs/dbraw/zinc/15/23/73/1413152373.db2.gz UODAPNAUDXBVCS-AWEZNQCLSA-N -1 3 388.427 3.470 20 0 GGADHM O=C(NCCc1nc(C2CCCCC2)cs1)c1nnc2ccccc2c1[O-] ZINC000118339369 1413152970 /nfs/dbraw/zinc/15/29/70/1413152970.db2.gz VXAKGFLAUBLVPX-UHFFFAOYSA-N -1 3 382.489 3.400 20 0 GGADHM O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000118520499 1413170538 /nfs/dbraw/zinc/17/05/38/1413170538.db2.gz XEYPJJWWDAQCDS-INIZCTEOSA-N -1 3 377.227 3.298 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000118519558 1413170622 /nfs/dbraw/zinc/17/06/22/1413170622.db2.gz ZGACVURZBYIPAO-MRXNPFEDSA-N -1 3 383.231 3.121 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000118519555 1413170638 /nfs/dbraw/zinc/17/06/38/1413170638.db2.gz ZGACVURZBYIPAO-INIZCTEOSA-N -1 3 383.231 3.121 20 0 GGADHM COc1ccc(-c2csc(CNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)cc1 ZINC000177368311 1428706911 /nfs/dbraw/zinc/70/69/11/1428706911.db2.gz MQTJMRHSILJOOJ-UHFFFAOYSA-N -1 3 392.436 3.237 20 0 GGADHM COc1ccc(-c2ccc(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)s2)cc1 ZINC000177372525 1428708590 /nfs/dbraw/zinc/70/85/90/1428708590.db2.gz QZYLOPOITPSGSG-UHFFFAOYSA-N -1 3 397.500 3.373 20 0 GGADHM COC(=O)Cc1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)[n-]1 ZINC000118661906 1413202245 /nfs/dbraw/zinc/20/22/45/1413202245.db2.gz UTIPBNWEIYULDZ-UHFFFAOYSA-N -1 3 393.428 3.049 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)n[n-]1 ZINC000118661906 1413202254 /nfs/dbraw/zinc/20/22/54/1413202254.db2.gz UTIPBNWEIYULDZ-UHFFFAOYSA-N -1 3 393.428 3.049 20 0 GGADHM COC(=O)Cc1n[n-]c(NC(=O)C=Cc2ccc(-c3ccc(F)cc3)s2)n1 ZINC000118662012 1413202462 /nfs/dbraw/zinc/20/24/62/1413202462.db2.gz ZSGJEGIUUUVWIS-VQHVLOKHSA-N -1 3 386.408 3.040 20 0 GGADHM COC(=O)Cc1nc(NC(=O)C=Cc2ccc(-c3ccc(F)cc3)s2)n[n-]1 ZINC000118662012 1413202467 /nfs/dbraw/zinc/20/24/67/1413202467.db2.gz ZSGJEGIUUUVWIS-VQHVLOKHSA-N -1 3 386.408 3.040 20 0 GGADHM COC(=O)Cc1nc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)n[n-]1 ZINC000118662824 1413202828 /nfs/dbraw/zinc/20/28/28/1413202828.db2.gz HNJHCQQVGBUZOB-UHFFFAOYSA-N -1 3 376.844 3.014 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN([C@@H](C)c4cccnc4)CC3)cc(=O)oc12 ZINC000118836984 1413240066 /nfs/dbraw/zinc/24/00/66/1413240066.db2.gz BRJQMUSSQWAPMJ-INIZCTEOSA-N -1 3 379.460 3.081 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000118951977 1413271403 /nfs/dbraw/zinc/27/14/03/1413271403.db2.gz UHCLSBYUJURGPL-HNNXBMFYSA-N -1 3 377.359 3.031 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000118952127 1413271627 /nfs/dbraw/zinc/27/16/27/1413271627.db2.gz HPRGNOUVKOALJW-OAHLLOKOSA-N -1 3 377.359 3.031 20 0 GGADHM COc1c(C)cnc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000119006763 1413301754 /nfs/dbraw/zinc/30/17/54/1413301754.db2.gz LOKOTICBZFUTPZ-UHFFFAOYSA-N -1 3 394.269 3.175 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc3ccccc32)ccc1F ZINC000177394376 1428717304 /nfs/dbraw/zinc/71/73/04/1428717304.db2.gz BSFZEEQQYMECNX-CYBMUJFWSA-N -1 3 386.448 3.378 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4oc(N(C)C)nc4c3)c[n-]c12 ZINC000119049696 1413316596 /nfs/dbraw/zinc/31/65/96/1413316596.db2.gz LWBMMJVCRNEOCQ-UHFFFAOYSA-N -1 3 380.379 3.435 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2cccnc2OCC(F)(F)F)cc1 ZINC000119052265 1413317313 /nfs/dbraw/zinc/31/73/13/1413317313.db2.gz HYSFYUDWRYHREI-UHFFFAOYSA-N -1 3 390.308 3.440 20 0 GGADHM O=S(=O)(Cc1cnn(-c2ccccc2)c1)c1nnc(CCC2CCCC2)[n-]1 ZINC000119081862 1413329292 /nfs/dbraw/zinc/32/92/92/1413329292.db2.gz UPFCAMQQHPMICR-UHFFFAOYSA-N -1 3 385.493 3.087 20 0 GGADHM O=S(=O)(Cc1cnn(-c2ccccc2)c1)c1nc(CCC2CCCC2)n[n-]1 ZINC000119081862 1413329303 /nfs/dbraw/zinc/32/93/03/1413329303.db2.gz UPFCAMQQHPMICR-UHFFFAOYSA-N -1 3 385.493 3.087 20 0 GGADHM COc1ccc(CCC2CCN(C(=O)c3cnc4c(cnn4C)c3[O-])CC2)cc1 ZINC000119123424 1413346543 /nfs/dbraw/zinc/34/65/43/1413346543.db2.gz CHKXNSPMMCNLQR-UHFFFAOYSA-N -1 3 394.475 3.168 20 0 GGADHM O=S1(=O)[N-]C(CN[C@H]2CCCC[C@H]2Cc2ccccc2)=Nc2ccccc21 ZINC000119124991 1413347186 /nfs/dbraw/zinc/34/71/86/1413347186.db2.gz CDWGSTBICMPXPT-ROUUACIJSA-N -1 3 383.517 3.400 20 0 GGADHM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000119155565 1413358310 /nfs/dbraw/zinc/35/83/10/1413358310.db2.gz KDPDZQZPKOFORR-SFHVURJKSA-N -1 3 391.814 3.138 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177405180 1428721224 /nfs/dbraw/zinc/72/12/24/1428721224.db2.gz NMZGPCGPFSWMQC-UHFFFAOYSA-N -1 3 390.889 3.111 20 0 GGADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177408804 1428723451 /nfs/dbraw/zinc/72/34/51/1428723451.db2.gz VITWYDXXHYKZHZ-OAHLLOKOSA-N -1 3 394.349 3.078 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000119217658 1413378721 /nfs/dbraw/zinc/37/87/21/1413378721.db2.gz ODNMLDUIBOGKDJ-UHFFFAOYSA-N -1 3 387.443 3.220 20 0 GGADHM CCOc1ccc(-c2noc(CCC(=O)Nc3n[n-]c(-c4ccco4)n3)n2)cc1 ZINC000119281408 1413397988 /nfs/dbraw/zinc/39/79/88/1413397988.db2.gz RXKQYDCRCUHVEQ-UHFFFAOYSA-N -1 3 394.391 3.085 20 0 GGADHM CCn1c(CNc2ncnc3c2c(C)c(C)n3Cc2ccco2)n[n-]c1=S ZINC000119319461 1413410933 /nfs/dbraw/zinc/41/09/33/1413410933.db2.gz OUJCYIWMPCKPTP-UHFFFAOYSA-N -1 3 383.481 3.202 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](O)c1ccc(F)cc1 ZINC000119329693 1413413704 /nfs/dbraw/zinc/41/37/04/1413413704.db2.gz OPQMQCVIGYWWSK-RFAUZJTJSA-N -1 3 395.349 3.384 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000119368907 1413426081 /nfs/dbraw/zinc/42/60/81/1413426081.db2.gz HZQJDYDLCCFNHS-UHFFFAOYSA-N -1 3 396.878 3.394 20 0 GGADHM CN(C)c1ccc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000119405532 1413436630 /nfs/dbraw/zinc/43/66/30/1413436630.db2.gz MCTFFGJASCJXQS-UHFFFAOYSA-N -1 3 392.297 3.263 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177425993 1428731350 /nfs/dbraw/zinc/73/13/50/1428731350.db2.gz CIBVGLUIRIYOMT-UHFFFAOYSA-N -1 3 384.860 3.050 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3occc32)ccc1F ZINC000119598332 1413498701 /nfs/dbraw/zinc/49/87/01/1413498701.db2.gz VHGJAEKTZKHLSA-OAHLLOKOSA-N -1 3 394.468 3.303 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC2CCCC2)ccc1F ZINC000177429231 1428733146 /nfs/dbraw/zinc/73/31/46/1428733146.db2.gz YCQAXXURYNBWAY-UHFFFAOYSA-N -1 3 392.452 3.308 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1F ZINC000177429517 1428733349 /nfs/dbraw/zinc/73/33/49/1428733349.db2.gz OFGXDXVXPPUXNT-UHFFFAOYSA-N -1 3 396.871 3.192 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCc3ccccc3F)cc2)c(=O)[n-]1 ZINC000119655766 1413517479 /nfs/dbraw/zinc/51/74/79/1413517479.db2.gz CJFWIDKEFKAMFV-UHFFFAOYSA-N -1 3 381.407 3.286 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3n[nH]cc3c2)ccc1F ZINC000119659426 1413519464 /nfs/dbraw/zinc/51/94/64/1413519464.db2.gz MEIYPCABOAGCHP-UHFFFAOYSA-N -1 3 390.440 3.031 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)ccc1F ZINC000177431962 1428734761 /nfs/dbraw/zinc/73/47/61/1428734761.db2.gz KGKJEOUCJSDLAE-NSHDSACASA-N -1 3 384.860 3.220 20 0 GGADHM COCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000119673655 1413526179 /nfs/dbraw/zinc/52/61/79/1413526179.db2.gz QQISXUFVVXXUCN-UHFFFAOYSA-N -1 3 394.468 3.301 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)ccc1F ZINC000177435238 1428736196 /nfs/dbraw/zinc/73/61/96/1428736196.db2.gz IUEKKXBOQHTTMQ-QGZVFWFLSA-N -1 3 376.453 3.020 20 0 GGADHM CCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c(C)c1 ZINC000177435144 1428736311 /nfs/dbraw/zinc/73/63/11/1428736311.db2.gz HDWCHFGZGBHCOU-UHFFFAOYSA-N -1 3 380.441 3.083 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1 ZINC000119762841 1413559506 /nfs/dbraw/zinc/55/95/06/1413559506.db2.gz CSUGDEPDWWDFQY-GFCCVEGCSA-N -1 3 375.429 3.116 20 0 GGADHM Cc1csc(CCCNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000119820483 1413581415 /nfs/dbraw/zinc/58/14/15/1413581415.db2.gz RWRAISWZPRRLQG-UHFFFAOYSA-N -1 3 384.299 3.352 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177453599 1428742809 /nfs/dbraw/zinc/74/28/09/1428742809.db2.gz PHPBJZPDGZAAMY-INIZCTEOSA-N -1 3 394.468 3.014 20 0 GGADHM Cc1c([N-]C(=O)c2c(F)c(F)cc(F)c2F)c(=O)n(-c2ccccc2)n1C ZINC000177452923 1428742936 /nfs/dbraw/zinc/74/29/36/1428742936.db2.gz KHTJJBBGBPXBSG-UHFFFAOYSA-N -1 3 379.313 3.293 20 0 GGADHM COc1ccc(OC)c([C@@H]2CCCN2CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737108392 1428743002 /nfs/dbraw/zinc/74/30/02/1428743002.db2.gz LEYZTWYBCOYLJW-IBGZPJMESA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccc(OC)c([C@@H]2CCCN2CCOc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737108392 1428743004 /nfs/dbraw/zinc/74/30/04/1428743004.db2.gz LEYZTWYBCOYLJW-IBGZPJMESA-N -1 3 395.463 3.100 20 0 GGADHM CC1CCN(C(=O)c2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)CC1 ZINC000119981204 1413640737 /nfs/dbraw/zinc/64/07/37/1413640737.db2.gz PEUQJGXGKHEXKY-XSFVSMFZSA-N -1 3 389.455 3.282 20 0 GGADHM CCc1cc2c(CN3CCN(c4cc(C)ccn4)CC3)cc(=O)oc2cc1[O-] ZINC000120045516 1413666010 /nfs/dbraw/zinc/66/60/10/1413666010.db2.gz UOUMFPNXGOTDEW-UHFFFAOYSA-N -1 3 379.460 3.087 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccc(OC(C)C)cc2)cc1F ZINC000120120811 1413695621 /nfs/dbraw/zinc/69/56/21/1413695621.db2.gz JSYUPQGGWGYLRW-KRWDZBQOSA-N -1 3 385.432 3.072 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000120132439 1413700785 /nfs/dbraw/zinc/70/07/85/1413700785.db2.gz BODBOPPPRUKZNQ-RBUKOAKNSA-N -1 3 384.863 3.134 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)ccc1F ZINC000177465192 1428748428 /nfs/dbraw/zinc/74/84/28/1428748428.db2.gz PZRZZUKYIXRCBN-GOSISDBHSA-N -1 3 394.443 3.144 20 0 GGADHM CCSc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000177464588 1428748821 /nfs/dbraw/zinc/74/88/21/1428748821.db2.gz BJBNPQNEMZZPCL-GFCCVEGCSA-N -1 3 396.509 3.337 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1nc(Br)cs1 ZINC000120176027 1413718573 /nfs/dbraw/zinc/71/85/73/1413718573.db2.gz VHTXRAOVIGRELG-UHFFFAOYSA-N -1 3 392.072 3.304 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(F)c1I ZINC000120335963 1413791563 /nfs/dbraw/zinc/79/15/63/1413791563.db2.gz ONFRPPKUOCCCOZ-SNVBAGLBSA-N -1 3 380.157 3.010 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(F)c1I ZINC000120335963 1413791573 /nfs/dbraw/zinc/79/15/73/1413791573.db2.gz ONFRPPKUOCCCOZ-SNVBAGLBSA-N -1 3 380.157 3.010 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)n[nH]1 ZINC000120372727 1413804700 /nfs/dbraw/zinc/80/47/00/1413804700.db2.gz BQTZAZSLNDCZBW-UHFFFAOYSA-N -1 3 384.461 3.009 20 0 GGADHM O=S(=O)([N-]c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000120386536 1413806986 /nfs/dbraw/zinc/80/69/86/1413806986.db2.gz QXTXOPXLQFTLCD-UHFFFAOYSA-N -1 3 386.517 3.198 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cnsn2)cc1 ZINC000120466438 1413824441 /nfs/dbraw/zinc/82/44/41/1413824441.db2.gz DFFKMHYDWMRQBT-UHFFFAOYSA-N -1 3 388.474 3.208 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)CSc2n[n-]c(=S)s2)N(C)C)cc1 ZINC000120532562 1413837684 /nfs/dbraw/zinc/83/76/84/1413837684.db2.gz OEALIMTXZXNTJZ-CYBMUJFWSA-N -1 3 382.580 3.274 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000120590533 1413850073 /nfs/dbraw/zinc/85/00/73/1413850073.db2.gz XCPOHEIBXBPSJK-CYBMUJFWSA-N -1 3 389.883 3.323 20 0 GGADHM CCC(=O)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000120696348 1413877158 /nfs/dbraw/zinc/87/71/58/1413877158.db2.gz HNBNGKMDNXGRFR-UHFFFAOYSA-N -1 3 392.452 3.357 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000120731823 1413887087 /nfs/dbraw/zinc/88/70/87/1413887087.db2.gz RKNGURFSZJMXJG-UHFFFAOYSA-N -1 3 391.830 3.106 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(N2CCCNC2=O)CC1 ZINC000120876653 1413934323 /nfs/dbraw/zinc/93/43/23/1413934323.db2.gz WUZZZZNSFWUOPD-UHFFFAOYSA-N -1 3 393.487 3.003 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1cnc(Cl)c(Cl)c1 ZINC000120891610 1413940006 /nfs/dbraw/zinc/94/00/06/1413940006.db2.gz XCOHCNJMVWBSPI-GFCCVEGCSA-N -1 3 381.668 3.054 20 0 GGADHM Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000120962574 1413961345 /nfs/dbraw/zinc/96/13/45/1413961345.db2.gz QGMUJRSWYCQPCH-UHFFFAOYSA-N -1 3 379.391 3.157 20 0 GGADHM CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000120964310 1413961907 /nfs/dbraw/zinc/96/19/07/1413961907.db2.gz BNVAYWHWYAQBED-UHFFFAOYSA-N -1 3 394.830 3.474 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)c2)cs1 ZINC000120967891 1413963384 /nfs/dbraw/zinc/96/33/84/1413963384.db2.gz RHSCPPGQEXRQBZ-UHFFFAOYSA-N -1 3 385.420 3.218 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000120982915 1413967709 /nfs/dbraw/zinc/96/77/09/1413967709.db2.gz ANCFARFMFXJZTK-UHFFFAOYSA-N -1 3 376.387 3.357 20 0 GGADHM Cc1csc(-c2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2)n1 ZINC000120984469 1413968387 /nfs/dbraw/zinc/96/83/87/1413968387.db2.gz BPOKSLASAUTUCT-UHFFFAOYSA-N -1 3 385.420 3.218 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)c(C)c2)ccc1F ZINC000177498010 1428770046 /nfs/dbraw/zinc/77/00/46/1428770046.db2.gz KQXQQSURBQQUFB-UHFFFAOYSA-N -1 3 380.441 3.082 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccccc2)no1 ZINC000121011219 1413976055 /nfs/dbraw/zinc/97/60/55/1413976055.db2.gz XLFXPQGHOLSXNT-NSHDSACASA-N -1 3 379.388 3.097 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@@H](O)c1c(F)cccc1F ZINC000121028300 1413981497 /nfs/dbraw/zinc/98/14/97/1413981497.db2.gz MHKVILNVRFXEDV-CQSZACIVSA-N -1 3 396.242 3.425 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2nc(-c3ccccc3)no2)c(F)cc1F ZINC000121041125 1413986498 /nfs/dbraw/zinc/98/64/98/1413986498.db2.gz KZTVAMHIIAMHQN-LBPRGKRZSA-N -1 3 393.415 3.405 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)ccc1F ZINC000177501221 1428771431 /nfs/dbraw/zinc/77/14/31/1428771431.db2.gz LMEYRJKLYVOZJF-PXAZEXFGSA-N -1 3 394.443 3.096 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000121057875 1413991701 /nfs/dbraw/zinc/99/17/01/1413991701.db2.gz CQRFREFFUCEFBL-LLVKDONJSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccccc2Br)c(=O)[n-]1 ZINC000121114574 1414013229 /nfs/dbraw/zinc/01/32/29/1414013229.db2.gz GUAMVGBFXBMYTF-MRXNPFEDSA-N -1 3 390.281 3.055 20 0 GGADHM CCOc1ccccc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000121221280 1414048472 /nfs/dbraw/zinc/04/84/72/1414048472.db2.gz CPDLCEKMEHSHGS-UHFFFAOYSA-N -1 3 394.468 3.188 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1 ZINC000121236320 1414054062 /nfs/dbraw/zinc/05/40/62/1414054062.db2.gz UAYIDNUZHNJWEH-LJQANCHMSA-N -1 3 390.411 3.436 20 0 GGADHM COc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1OC1CCCC1 ZINC000121239479 1414054852 /nfs/dbraw/zinc/05/48/52/1414054852.db2.gz SEBGBMTWIDZGEL-UHFFFAOYSA-N -1 3 385.464 3.288 20 0 GGADHM CC(C)CN(Cc1nc(=O)c2sccc2[n-]1)C[C@@H](O)c1ccc(F)cc1 ZINC000121279265 1414069620 /nfs/dbraw/zinc/06/96/20/1414069620.db2.gz FESBJYXHOSMBCG-MRXNPFEDSA-N -1 3 375.469 3.315 20 0 GGADHM CC(C)CN(Cc1nc(=O)c2sccc2[n-]1)C[C@H](O)c1ccc(F)cc1 ZINC000121279088 1414069682 /nfs/dbraw/zinc/06/96/82/1414069682.db2.gz FESBJYXHOSMBCG-INIZCTEOSA-N -1 3 375.469 3.315 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)c1 ZINC000121350553 1414091666 /nfs/dbraw/zinc/09/16/66/1414091666.db2.gz ZQBZICYPYNYJOY-UHFFFAOYSA-N -1 3 382.338 3.174 20 0 GGADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(Br)cc1 ZINC000121370340 1414098340 /nfs/dbraw/zinc/09/83/40/1414098340.db2.gz LNIKSDPSIWDNDH-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM CC[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000121454658 1414130700 /nfs/dbraw/zinc/13/07/00/1414130700.db2.gz QGHMQJRCVCOQMC-GOSISDBHSA-N -1 3 382.460 3.275 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C(C)C)ccc2C)cc1 ZINC000121540687 1414168836 /nfs/dbraw/zinc/16/88/36/1414168836.db2.gz NSWJDJYJBHBENN-UHFFFAOYSA-N -1 3 376.478 3.285 20 0 GGADHM CO[C@@H](C)C(=O)Nc1cccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000121565492 1414179944 /nfs/dbraw/zinc/17/99/44/1414179944.db2.gz VUAMMKGSWMTQLD-ZDUSSCGKSA-N -1 3 382.416 3.393 20 0 GGADHM CO[C@H](C)C(=O)Nc1cccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000121565344 1414180349 /nfs/dbraw/zinc/18/03/49/1414180349.db2.gz VUAMMKGSWMTQLD-CYBMUJFWSA-N -1 3 382.416 3.393 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccccc3)C2)ccc1F ZINC000121679412 1414221299 /nfs/dbraw/zinc/22/12/99/1414221299.db2.gz HPWAAFNVFNPGLY-KRWDZBQOSA-N -1 3 390.480 3.142 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1OC ZINC000121695525 1414226737 /nfs/dbraw/zinc/22/67/37/1414226737.db2.gz OGWPHKVGKYQPBO-UHFFFAOYSA-N -1 3 382.457 3.488 20 0 GGADHM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1F ZINC000121695720 1414226823 /nfs/dbraw/zinc/22/68/23/1414226823.db2.gz GLLOFGPHBKANGJ-UHFFFAOYSA-N -1 3 391.468 3.356 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc(F)c1F ZINC000121930778 1414311610 /nfs/dbraw/zinc/31/16/10/1414311610.db2.gz QMZSPYGINOPVPV-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000121940390 1414315760 /nfs/dbraw/zinc/31/57/60/1414315760.db2.gz ZDLAXYCIEMXWTP-OAQYLSRUSA-N -1 3 375.428 3.398 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1F ZINC000121950140 1414320079 /nfs/dbraw/zinc/32/00/79/1414320079.db2.gz BFBUFRBCLRDHEF-LLVKDONJSA-N -1 3 380.416 3.197 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCOC3=O)c2)cc1F ZINC000122017664 1414341236 /nfs/dbraw/zinc/34/12/36/1414341236.db2.gz NTDRIOAAIFHYCJ-GFCCVEGCSA-N -1 3 396.415 3.269 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000122065926 1414353600 /nfs/dbraw/zinc/35/36/00/1414353600.db2.gz IGEOPHPPCKPTQK-CYBMUJFWSA-N -1 3 398.846 3.155 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000177581752 1428802632 /nfs/dbraw/zinc/80/26/32/1428802632.db2.gz VIARKSJQVMZEMA-UHFFFAOYSA-N -1 3 391.265 3.295 20 0 GGADHM CNS(=O)(=O)c1ccc([C@H](C)/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000122188735 1414383630 /nfs/dbraw/zinc/38/36/30/1414383630.db2.gz XDGKNEFDWZTQFY-VSMYLPJWSA-N -1 3 397.294 3.243 20 0 GGADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177586872 1428804086 /nfs/dbraw/zinc/80/40/86/1428804086.db2.gz XDMQZAZAFCMUSN-UHFFFAOYSA-N -1 3 383.416 3.254 20 0 GGADHM CCOc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1OCC ZINC000825639480 1428804396 /nfs/dbraw/zinc/80/43/96/1428804396.db2.gz XHNYZRODXLPMQV-UHFFFAOYSA-N -1 3 379.464 3.443 20 0 GGADHM CCOc1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1OCC ZINC000825639480 1428804402 /nfs/dbraw/zinc/80/44/02/1428804402.db2.gz XHNYZRODXLPMQV-UHFFFAOYSA-N -1 3 379.464 3.443 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)on1 ZINC000122299406 1414416809 /nfs/dbraw/zinc/41/68/09/1414416809.db2.gz WQWYRSKYBHJHJS-UHFFFAOYSA-N -1 3 380.466 3.152 20 0 GGADHM CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000122409907 1414450501 /nfs/dbraw/zinc/45/05/01/1414450501.db2.gz IRKRJSQGLPJWSJ-UHFFFAOYSA-N -1 3 381.325 3.410 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cc(C)ccc2C)c(C)o1 ZINC000122522672 1414489070 /nfs/dbraw/zinc/48/90/70/1414489070.db2.gz GIMVWPUSOWBLBY-KRWDZBQOSA-N -1 3 376.478 3.090 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000122551676 1414498096 /nfs/dbraw/zinc/49/80/96/1414498096.db2.gz ZUCVSTSKIOQYSK-UHFFFAOYSA-N -1 3 392.434 3.013 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000122688020 1414538673 /nfs/dbraw/zinc/53/86/73/1414538673.db2.gz ZTNPURZLJFFHLL-LSDHHAIUSA-N -1 3 384.398 3.045 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)ccc2SCC(F)F)c(=O)[n-]1 ZINC000122699266 1414541966 /nfs/dbraw/zinc/54/19/66/1414541966.db2.gz RIUFSFUOJFGSIC-UHFFFAOYSA-N -1 3 385.411 3.454 20 0 GGADHM COC(=O)N(C)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000122814284 1414571026 /nfs/dbraw/zinc/57/10/26/1414571026.db2.gz JEOQYUKZPDTYTR-UHFFFAOYSA-N -1 3 383.379 3.431 20 0 GGADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c12 ZINC000122865922 1414583862 /nfs/dbraw/zinc/58/38/62/1414583862.db2.gz DCUBVVNLPDDVSR-UHFFFAOYSA-N -1 3 388.449 3.278 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(c2ccccc2)c2ccccc2)c(C)o1 ZINC000177642645 1428820489 /nfs/dbraw/zinc/82/04/89/1428820489.db2.gz LZJAPPCFBKUNHA-UHFFFAOYSA-N -1 3 398.484 3.058 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(C)o1 ZINC000177645693 1428821695 /nfs/dbraw/zinc/82/16/95/1428821695.db2.gz GSFDJSUMHPVBJD-IBGZPJMESA-N -1 3 398.484 3.210 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3COc4ccc(F)cc4C3)c2)n1 ZINC000123073141 1414634136 /nfs/dbraw/zinc/63/41/36/1414634136.db2.gz KRAJKTUESSVNAB-OAHLLOKOSA-N -1 3 393.418 3.328 20 0 GGADHM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000123302574 1414691869 /nfs/dbraw/zinc/69/18/69/1414691869.db2.gz YTRCELJGAPEEME-GFCCVEGCSA-N -1 3 394.443 3.239 20 0 GGADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000123302340 1414691877 /nfs/dbraw/zinc/69/18/77/1414691877.db2.gz YTRCELJGAPEEME-LBPRGKRZSA-N -1 3 394.443 3.239 20 0 GGADHM Cc1cc(C)nc(Sc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)n1 ZINC000123307255 1414693234 /nfs/dbraw/zinc/69/32/34/1414693234.db2.gz UPGHDAJKYMXQTA-UHFFFAOYSA-N -1 3 395.488 3.126 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000123400517 1414717537 /nfs/dbraw/zinc/71/75/37/1414717537.db2.gz KNTQIQRUEAPDGU-QFBILLFUSA-N -1 3 386.448 3.452 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000123400088 1414717701 /nfs/dbraw/zinc/71/77/01/1414717701.db2.gz KNTQIQRUEAPDGU-LPHOPBHVSA-N -1 3 386.448 3.452 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(O)CCC(C)(C)CC2)sc1Br ZINC000123621903 1414798332 /nfs/dbraw/zinc/79/83/32/1414798332.db2.gz LFSGLTNMBDFQIW-UHFFFAOYSA-N -1 3 396.372 3.429 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1 ZINC000123602291 1414791183 /nfs/dbraw/zinc/79/11/83/1414791183.db2.gz MQUPZEUZUXCMSW-QGZVFWFLSA-N -1 3 384.407 3.367 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)nc1Cl ZINC000123646395 1414803050 /nfs/dbraw/zinc/80/30/50/1414803050.db2.gz NCDKYNPLTNWOKW-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000123832044 1414831614 /nfs/dbraw/zinc/83/16/14/1414831614.db2.gz MCOYSBWTSKMKER-XPTSAGLGSA-N -1 3 393.267 3.318 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000123832635 1414831669 /nfs/dbraw/zinc/83/16/69/1414831669.db2.gz MCOYSBWTSKMKER-YMTOWFKASA-N -1 3 393.267 3.318 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000123935792 1414852684 /nfs/dbraw/zinc/85/26/84/1414852684.db2.gz INHAMGFATZEDGR-UHFFFAOYSA-N -1 3 385.855 3.467 20 0 GGADHM Cc1[nH]c2c(cccc2C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000123948702 1414855944 /nfs/dbraw/zinc/85/59/44/1414855944.db2.gz LOWWKMXCCLIKAX-UHFFFAOYSA-N -1 3 377.444 3.089 20 0 GGADHM COc1c(C)cnc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826166935 1428842902 /nfs/dbraw/zinc/84/29/02/1428842902.db2.gz IETVQHDEJCROER-UHFFFAOYSA-N -1 3 376.464 3.176 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)c1F ZINC000177726390 1428843247 /nfs/dbraw/zinc/84/32/47/1428843247.db2.gz XDCDURCPPZBTFE-NWDGAFQWSA-N -1 3 383.416 3.222 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)c1F ZINC000177726406 1428843321 /nfs/dbraw/zinc/84/33/21/1428843321.db2.gz XDCDURCPPZBTFE-NEPJUHHUSA-N -1 3 383.416 3.222 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)c1F ZINC000177726418 1428843345 /nfs/dbraw/zinc/84/33/45/1428843345.db2.gz XDCDURCPPZBTFE-RYUDHWBXSA-N -1 3 383.416 3.222 20 0 GGADHM Cc1ccc2c(c1)N(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)CC2 ZINC000124050241 1414876569 /nfs/dbraw/zinc/87/65/69/1414876569.db2.gz LCEZUBLKUAECAQ-UHFFFAOYSA-N -1 3 388.489 3.113 20 0 GGADHM CCCN1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000124241066 1414917519 /nfs/dbraw/zinc/91/75/19/1414917519.db2.gz OTHQBBODZGQLHJ-IBGZPJMESA-N -1 3 387.505 3.300 20 0 GGADHM C[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)N1CCc2sccc2C1 ZINC000820280414 1428848788 /nfs/dbraw/zinc/84/87/88/1428848788.db2.gz FLEZGBGFBAKZQE-CYBMUJFWSA-N -1 3 391.504 3.335 20 0 GGADHM C[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)N1CCc2sccc2C1 ZINC000820280414 1428848796 /nfs/dbraw/zinc/84/87/96/1428848796.db2.gz FLEZGBGFBAKZQE-CYBMUJFWSA-N -1 3 391.504 3.335 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000177750086 1428849495 /nfs/dbraw/zinc/84/94/95/1428849495.db2.gz OGQVIZHMMSQRCI-UHFFFAOYSA-N -1 3 381.407 3.144 20 0 GGADHM CC[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(OC)cc1 ZINC000124558620 1414993601 /nfs/dbraw/zinc/99/36/01/1414993601.db2.gz FPLYMFDYMDSDJD-KRWDZBQOSA-N -1 3 396.487 3.269 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(F)c2)nc1Cl ZINC000124599024 1415002633 /nfs/dbraw/zinc/00/26/33/1415002633.db2.gz XWLANGMECSDRRQ-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000124714730 1415027698 /nfs/dbraw/zinc/02/76/98/1415027698.db2.gz SMPPRYZBYPRNFP-AAEUAGOBSA-N -1 3 389.304 3.221 20 0 GGADHM CSCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000124737013 1415033020 /nfs/dbraw/zinc/03/30/20/1415033020.db2.gz XAJJWGVFJOIIBT-UHFFFAOYSA-N -1 3 396.509 3.370 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c([O-])c1 ZINC000124781093 1415042380 /nfs/dbraw/zinc/04/23/80/1415042380.db2.gz FCKAYESAGYGFOL-UHFFFAOYSA-N -1 3 383.379 3.454 20 0 GGADHM NC(=O)c1cc(-c2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)c[nH]1 ZINC000177807030 1428862280 /nfs/dbraw/zinc/86/22/80/1428862280.db2.gz KZTLHHRQOIJFHQ-UHFFFAOYSA-N -1 3 384.314 3.046 20 0 GGADHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c([O-])c1 ZINC000125155380 1415120540 /nfs/dbraw/zinc/12/05/40/1415120540.db2.gz PODLHRLUVYKHHR-UHFFFAOYSA-N -1 3 386.429 3.024 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1cc(Br)ccc1F ZINC000125213707 1415131969 /nfs/dbraw/zinc/13/19/69/1415131969.db2.gz RFGBMLGEVZRZQI-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000125224483 1415133412 /nfs/dbraw/zinc/13/34/12/1415133412.db2.gz QNYNEOCRKWNTEP-UHFFFAOYSA-N -1 3 396.468 3.474 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)sc1Br ZINC000125232246 1415135125 /nfs/dbraw/zinc/13/51/25/1415135125.db2.gz PRKRDUKAZFJLBO-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM O=C(CCN1C(=O)COc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125250694 1415141821 /nfs/dbraw/zinc/14/18/21/1415141821.db2.gz HETFOEWEZCNKKA-UHFFFAOYSA-N -1 3 380.322 3.165 20 0 GGADHM O=C(CCn1cnc2ccccc2c1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125252692 1415142412 /nfs/dbraw/zinc/14/24/12/1415142412.db2.gz HMBLTMLXDTWVTL-UHFFFAOYSA-N -1 3 377.322 3.150 20 0 GGADHM CCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1OCC ZINC000125271456 1415148264 /nfs/dbraw/zinc/14/82/64/1415148264.db2.gz UCXURYCVBRSYKQ-UHFFFAOYSA-N -1 3 384.476 3.148 20 0 GGADHM COc1ccc(N2C[C@@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2=O)cc1 ZINC000125281742 1415151168 /nfs/dbraw/zinc/15/11/68/1415151168.db2.gz VXEJWVFYEPFQDB-NSHDSACASA-N -1 3 394.349 3.411 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000826169914 1428865089 /nfs/dbraw/zinc/86/50/89/1428865089.db2.gz JTDUHXYKFUUFPR-HXUWFJFHSA-N -1 3 392.507 3.192 20 0 GGADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)n1nnc(-c2ccccc2)n1 ZINC000125341997 1415169679 /nfs/dbraw/zinc/16/96/79/1415169679.db2.gz RESHMDKNOAWKGI-SNVBAGLBSA-N -1 3 377.326 3.264 20 0 GGADHM O=C(CN1C(=O)CSc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125346470 1415171163 /nfs/dbraw/zinc/17/11/63/1415171163.db2.gz LJERKMVWKPLFNO-UHFFFAOYSA-N -1 3 382.363 3.488 20 0 GGADHM CC(C)c1ccc([C@H](C)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000824347692 1428873743 /nfs/dbraw/zinc/87/37/43/1428873743.db2.gz KNXIIJJJQDCNHL-INIZCTEOSA-N -1 3 377.496 3.268 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000125444181 1415200339 /nfs/dbraw/zinc/20/03/39/1415200339.db2.gz CPXXFUASKIZGSS-QFIPXVFZSA-N -1 3 387.483 3.494 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000125569903 1415228477 /nfs/dbraw/zinc/22/84/77/1415228477.db2.gz LOKBQNYCDASYGM-LLVKDONJSA-N -1 3 381.448 3.476 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN([C@H](C)c3ccncc3)CC2)c(F)cc1F ZINC000125687187 1415254657 /nfs/dbraw/zinc/25/46/57/1415254657.db2.gz MSJBEFFNFHWDJX-CQSZACIVSA-N -1 3 395.475 3.172 20 0 GGADHM O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000125690687 1415255228 /nfs/dbraw/zinc/25/52/28/1415255228.db2.gz XOECOBMPINDFTD-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1c([O-])cccc1O ZINC000125707187 1415258579 /nfs/dbraw/zinc/25/85/79/1415258579.db2.gz JBZWIVLVSDCRRO-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM CCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)[nH]1 ZINC000125743128 1415267488 /nfs/dbraw/zinc/26/74/88/1415267488.db2.gz DVLJYYCKQXFUGR-UHFFFAOYSA-N -1 3 399.476 3.037 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c(C)o1 ZINC000125743869 1415268238 /nfs/dbraw/zinc/26/82/38/1415268238.db2.gz LBXBTJALDDRULG-UHFFFAOYSA-N -1 3 396.440 3.209 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000125784397 1415279630 /nfs/dbraw/zinc/27/96/30/1415279630.db2.gz GSIPAWDFNDBATR-CYBMUJFWSA-N -1 3 397.903 3.378 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1 ZINC000177917951 1428891045 /nfs/dbraw/zinc/89/10/45/1428891045.db2.gz HNNHVMQLRNSRMT-GFCCVEGCSA-N -1 3 395.290 3.316 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000125828138 1415292091 /nfs/dbraw/zinc/29/20/91/1415292091.db2.gz MEMMUOVQNNOVMN-ZMZPIMSZSA-N -1 3 395.427 3.353 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000125828402 1415292102 /nfs/dbraw/zinc/29/21/02/1415292102.db2.gz MEMMUOVQNNOVMN-VOJFVSQTSA-N -1 3 395.427 3.353 20 0 GGADHM Cc1nc(C)c(CC(=O)NCc2ccc(Sc3ccccc3)cc2)c(=O)[n-]1 ZINC000125952188 1415321034 /nfs/dbraw/zinc/32/10/34/1415321034.db2.gz QNSWWTXVSRPOQZ-UHFFFAOYSA-N -1 3 379.485 3.397 20 0 GGADHM Cc1cc(C)n2nc(C(=O)[N-]c3ccc(C(=O)OC(C)(C)C)cc3F)nc2n1 ZINC000126080643 1415352562 /nfs/dbraw/zinc/35/25/62/1415352562.db2.gz ICBKMQPYSDFKLE-UHFFFAOYSA-N -1 3 385.399 3.088 20 0 GGADHM C[C@H](C[C@@H](O)c1ccco1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126127512 1415364898 /nfs/dbraw/zinc/36/48/98/1415364898.db2.gz RQHNNRVNECLJEU-QMTHXVAHSA-N -1 3 383.242 3.059 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSCc3cscn3)c2)n1 ZINC000126400335 1415438789 /nfs/dbraw/zinc/43/87/89/1415438789.db2.gz LFZZVZGFVMMKOW-UHFFFAOYSA-N -1 3 386.502 3.328 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000126570853 1415494248 /nfs/dbraw/zinc/49/42/48/1415494248.db2.gz WZEVZPUUBRUABS-AWEZNQCLSA-N -1 3 387.867 3.274 20 0 GGADHM CCCc1nc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1ccccc1Cl ZINC000126586553 1415500609 /nfs/dbraw/zinc/50/06/09/1415500609.db2.gz BVAXPYCPLPBTLF-UHFFFAOYSA-N -1 3 399.764 3.262 20 0 GGADHM CCCc1nc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1ccccc1Cl ZINC000126586553 1415500614 /nfs/dbraw/zinc/50/06/14/1415500614.db2.gz BVAXPYCPLPBTLF-UHFFFAOYSA-N -1 3 399.764 3.262 20 0 GGADHM CCCc1nc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nn1-c1ccccc1Cl ZINC000126586553 1415500620 /nfs/dbraw/zinc/50/06/20/1415500620.db2.gz BVAXPYCPLPBTLF-UHFFFAOYSA-N -1 3 399.764 3.262 20 0 GGADHM O=C([N-]n1cnc2ccccc2c1=O)c1ccc(Br)cc1Cl ZINC000126681710 1415525476 /nfs/dbraw/zinc/52/54/76/1415525476.db2.gz LXRRGGYUAYHGCI-UHFFFAOYSA-N -1 3 378.613 3.196 20 0 GGADHM Cc1csc(Nc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2)n1 ZINC000126684406 1415525735 /nfs/dbraw/zinc/52/57/35/1415525735.db2.gz NGPDRTNERYHIHI-UHFFFAOYSA-N -1 3 378.413 3.331 20 0 GGADHM CCn1nccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000126814496 1415567675 /nfs/dbraw/zinc/56/76/75/1415567675.db2.gz BVNBBWLRTBSMEH-UHFFFAOYSA-N -1 3 384.461 3.265 20 0 GGADHM Fc1c(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cccc1-c1nn[n-]n1 ZINC000826370825 1428952056 /nfs/dbraw/zinc/95/20/56/1428952056.db2.gz IYQDSPAZIAFMMJ-UHFFFAOYSA-N -1 3 395.364 3.058 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2n[n-]c(-c3ccco3)n2)s1 ZINC000127087291 1415658538 /nfs/dbraw/zinc/65/85/38/1415658538.db2.gz OSGLKUOKNTVOOU-UHFFFAOYSA-N -1 3 386.433 3.386 20 0 GGADHM Cc1ccc(OC2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)cc1C ZINC000127210914 1415688234 /nfs/dbraw/zinc/68/82/34/1415688234.db2.gz JIMAIFQBGNETNC-UHFFFAOYSA-N -1 3 383.492 3.006 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3c(F)cccc3N3CCCC3)ccc2N1 ZINC000127277177 1415715564 /nfs/dbraw/zinc/71/55/64/1415715564.db2.gz ULPLWUZCRYXRSU-UHFFFAOYSA-N -1 3 389.452 3.111 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1F ZINC000127279932 1415716577 /nfs/dbraw/zinc/71/65/77/1415716577.db2.gz ZJLYPGMOJOOGPN-UHFFFAOYSA-N -1 3 395.431 3.324 20 0 GGADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2o1 ZINC000178121666 1428990685 /nfs/dbraw/zinc/99/06/85/1428990685.db2.gz WUGRXTOEKXLPMV-OAHLLOKOSA-N -1 3 378.428 3.227 20 0 GGADHM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000127321174 1415736961 /nfs/dbraw/zinc/73/69/61/1415736961.db2.gz HFHCZDUIZJXSIA-UHFFFAOYSA-N -1 3 378.469 3.076 20 0 GGADHM CN(Cc1cc(Br)cs1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736814120 1428976658 /nfs/dbraw/zinc/97/66/58/1428976658.db2.gz HVJNUYMKDDOBEU-UHFFFAOYSA-N -1 3 382.262 3.462 20 0 GGADHM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178136526 1428995012 /nfs/dbraw/zinc/99/50/12/1428995012.db2.gz BMNAFAIABRJGDH-PWSUYJOCSA-N -1 3 375.277 3.179 20 0 GGADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178136518 1428995192 /nfs/dbraw/zinc/99/51/92/1428995192.db2.gz BMNAFAIABRJGDH-JQWIXIFHSA-N -1 3 375.277 3.179 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000127468886 1415790614 /nfs/dbraw/zinc/79/06/14/1415790614.db2.gz WPCAQFKECVCCEC-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000127549431 1415807941 /nfs/dbraw/zinc/80/79/41/1415807941.db2.gz UCBUSUIRAFTKEK-CQSZACIVSA-N -1 3 390.848 3.013 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000127595923 1415816203 /nfs/dbraw/zinc/81/62/03/1415816203.db2.gz PJSZBZKAXNZBKW-SFHVURJKSA-N -1 3 395.846 3.420 20 0 GGADHM C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127751581 1415844176 /nfs/dbraw/zinc/84/41/76/1415844176.db2.gz VZQXKSPMLLUKTL-KRWDZBQOSA-N -1 3 380.488 3.334 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1ccccc1F ZINC000127808988 1415854943 /nfs/dbraw/zinc/85/49/43/1415854943.db2.gz VPCRXOHBACSELQ-CQSZACIVSA-N -1 3 380.423 3.042 20 0 GGADHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C)ccc21 ZINC000127825449 1415858209 /nfs/dbraw/zinc/85/82/09/1415858209.db2.gz DIPBAEXUMAZEKB-UHFFFAOYSA-N -1 3 387.505 3.161 20 0 GGADHM O=C(CSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128069025 1415905114 /nfs/dbraw/zinc/90/51/14/1415905114.db2.gz OGSJLJDKVCYRKV-UHFFFAOYSA-N -1 3 390.892 3.122 20 0 GGADHM Cc1ccc(C(C)(C)CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000128070219 1415905426 /nfs/dbraw/zinc/90/54/26/1415905426.db2.gz SRDJXTGIQZOPAD-UHFFFAOYSA-N -1 3 380.488 3.353 20 0 GGADHM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128073385 1415905751 /nfs/dbraw/zinc/90/57/51/1415905751.db2.gz SBTNTGHBGVBVJP-UHFFFAOYSA-N -1 3 393.270 3.226 20 0 GGADHM O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128071815 1415905982 /nfs/dbraw/zinc/90/59/82/1415905982.db2.gz STFYVUVHFWFPFA-UHFFFAOYSA-N -1 3 382.504 3.283 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000128085732 1415909304 /nfs/dbraw/zinc/90/93/04/1415909304.db2.gz QZFBPBRHBGOJID-UHFFFAOYSA-N -1 3 384.863 3.062 20 0 GGADHM Cc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1OCC1CCOCC1 ZINC000128156661 1415927509 /nfs/dbraw/zinc/92/75/09/1415927509.db2.gz AFOVUEZIKOGUFN-UHFFFAOYSA-N -1 3 399.491 3.072 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1occc1CSc1ccccc1 ZINC000128179465 1415932136 /nfs/dbraw/zinc/93/21/36/1415932136.db2.gz QPQDPERXTKTRPB-UHFFFAOYSA-N -1 3 396.468 3.437 20 0 GGADHM COc1ccc(CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)[C@@H](C)C2CC2)cc1 ZINC000128229639 1415944085 /nfs/dbraw/zinc/94/40/85/1415944085.db2.gz GDCLXXQSCZSXCF-HNNXBMFYSA-N -1 3 383.492 3.155 20 0 GGADHM CCc1ccc(C2=CCN(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825704285 1429023790 /nfs/dbraw/zinc/02/37/90/1429023790.db2.gz GAIHEKDAONNOKA-NRFANRHFSA-N -1 3 375.476 3.252 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1n[nH]c2c1CCCC2 ZINC000128321064 1415962220 /nfs/dbraw/zinc/96/22/20/1415962220.db2.gz AXCQZTXRYNUWOU-LBPRGKRZSA-N -1 3 386.839 3.220 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC2CC2)c(Cl)cc1Cl ZINC000128349259 1415968327 /nfs/dbraw/zinc/96/83/27/1415968327.db2.gz GBJLBJXZCZMXLJ-UHFFFAOYSA-N -1 3 393.336 3.410 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000128478487 1415996926 /nfs/dbraw/zinc/99/69/26/1415996926.db2.gz UKKXBDVHZNVPCQ-UHFFFAOYSA-N -1 3 388.474 3.328 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)Cc1ccc(OC)c(-c3nn[n-]n3)c1)CCC2 ZINC000825749688 1429035924 /nfs/dbraw/zinc/03/59/24/1429035924.db2.gz GBFSXPYXELJOIE-OAHLLOKOSA-N -1 3 384.509 3.404 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)Cc1ccc(OC)c(-c3nnn[n-]3)c1)CCC2 ZINC000825749688 1429035928 /nfs/dbraw/zinc/03/59/28/1429035928.db2.gz GBFSXPYXELJOIE-OAHLLOKOSA-N -1 3 384.509 3.404 20 0 GGADHM COc1ccc(CNCc2ccc(OC(F)F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826202537 1429036885 /nfs/dbraw/zinc/03/68/85/1429036885.db2.gz CTRHPMOPHWWECD-UHFFFAOYSA-N -1 3 395.797 3.420 20 0 GGADHM COc1ccc(CNCc2ccc(OC(F)F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826202537 1429036890 /nfs/dbraw/zinc/03/68/90/1429036890.db2.gz CTRHPMOPHWWECD-UHFFFAOYSA-N -1 3 395.797 3.420 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc(OCC(F)F)n3)c2)n1 ZINC000128530706 1416007284 /nfs/dbraw/zinc/00/72/84/1416007284.db2.gz XSCFMVDXQUFSNQ-UHFFFAOYSA-N -1 3 387.342 3.003 20 0 GGADHM COC(=O)c1cccc2[nH]c([N-]S(=O)(=O)C=Cc3ccccc3Cl)nc21 ZINC000128642579 1416032211 /nfs/dbraw/zinc/03/22/11/1416032211.db2.gz SBIKATBVCCABIY-MDZDMXLPSA-N -1 3 391.836 3.416 20 0 GGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1ccc(OC(F)F)cc1 ZINC000128645145 1416032593 /nfs/dbraw/zinc/03/25/93/1416032593.db2.gz NPPIEDDMMQYYJM-UHFFFAOYSA-N -1 3 378.310 3.274 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000178290833 1429043983 /nfs/dbraw/zinc/04/39/83/1429043983.db2.gz MYBCKAGNUPYPBP-QGZVFWFLSA-N -1 3 388.439 3.284 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000178313689 1429050031 /nfs/dbraw/zinc/05/00/31/1429050031.db2.gz OEUVZJRJXGIFKQ-UHFFFAOYSA-N -1 3 380.441 3.244 20 0 GGADHM COCc1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000128692178 1416044155 /nfs/dbraw/zinc/04/41/55/1416044155.db2.gz JZHMUHLYKOPSQP-UHFFFAOYSA-N -1 3 375.425 3.267 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCSC ZINC000128700889 1416046114 /nfs/dbraw/zinc/04/61/14/1416046114.db2.gz LGHSEANPADBVOO-UHFFFAOYSA-N -1 3 388.736 3.143 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)Nc2cccc([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000128702254 1416046993 /nfs/dbraw/zinc/04/69/93/1416046993.db2.gz RPHNTLDUEHAOLT-BMLIUANNSA-N -1 3 380.778 3.482 20 0 GGADHM CN1C(=O)C[C@H](C(=O)Nc2cccc([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000128702899 1416047060 /nfs/dbraw/zinc/04/70/60/1416047060.db2.gz RPHNTLDUEHAOLT-BTDLBPIBSA-N -1 3 380.778 3.482 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000128750380 1416058074 /nfs/dbraw/zinc/05/80/74/1416058074.db2.gz CMPQLIXBDGFHAK-KUHUBIRLSA-N -1 3 390.411 3.200 20 0 GGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3)cc2F)c1 ZINC000128791955 1416069923 /nfs/dbraw/zinc/06/99/23/1416069923.db2.gz XJNKGDZSJFIZKK-UHFFFAOYSA-N -1 3 397.435 3.306 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000128862792 1416087624 /nfs/dbraw/zinc/08/76/24/1416087624.db2.gz OJLVDMWLEWXYKZ-ZWKOTPCHSA-N -1 3 399.878 3.069 20 0 GGADHM C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c2ccccc21 ZINC000824891485 1429049245 /nfs/dbraw/zinc/04/92/45/1429049245.db2.gz ADGAGOWLHOQZMT-UAOJZALGSA-N -1 3 388.475 3.200 20 0 GGADHM C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c2ccccc21 ZINC000824891485 1429049249 /nfs/dbraw/zinc/04/92/49/1429049249.db2.gz ADGAGOWLHOQZMT-UAOJZALGSA-N -1 3 388.475 3.200 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(-n4cccc4)ccc3F)ccc2N1 ZINC000128942416 1416109427 /nfs/dbraw/zinc/10/94/27/1416109427.db2.gz PPIAZRJLPIRCNL-UHFFFAOYSA-N -1 3 385.420 3.302 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)ccc1F ZINC000178360272 1429060829 /nfs/dbraw/zinc/06/08/29/1429060829.db2.gz DCGWYIUHCREARP-GASCZTMLSA-N -1 3 382.501 3.165 20 0 GGADHM O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1cccc([O-])c1F ZINC000128993496 1416121341 /nfs/dbraw/zinc/12/13/41/1416121341.db2.gz FFWUORMXKHCGNI-UHFFFAOYSA-N -1 3 375.444 3.128 20 0 GGADHM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000129095052 1416143305 /nfs/dbraw/zinc/14/33/05/1416143305.db2.gz NLDLPQONUIVBTG-SNVBAGLBSA-N -1 3 386.470 3.443 20 0 GGADHM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000129095280 1416143322 /nfs/dbraw/zinc/14/33/22/1416143322.db2.gz NLDLPQONUIVBTG-JTQLQIEISA-N -1 3 386.470 3.443 20 0 GGADHM CCCN(CCC)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000821099447 1429068009 /nfs/dbraw/zinc/06/80/09/1429068009.db2.gz IKHONAVVYCVZDF-UHFFFAOYSA-N -1 3 376.530 3.258 20 0 GGADHM CCCN(CCC)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000821099447 1429068016 /nfs/dbraw/zinc/06/80/16/1429068016.db2.gz IKHONAVVYCVZDF-UHFFFAOYSA-N -1 3 376.530 3.258 20 0 GGADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178399902 1429069721 /nfs/dbraw/zinc/06/97/21/1429069721.db2.gz ICTXIWAUEMFLCY-SKDRFNHKSA-N -1 3 393.267 3.318 20 0 GGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4oc(=O)ccc4c3)cc2F)c1 ZINC000129199693 1416169048 /nfs/dbraw/zinc/16/90/48/1416169048.db2.gz QLOKHNQHSBDWOJ-UHFFFAOYSA-N -1 3 399.403 3.227 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)(C)CO)c(F)cc1F ZINC000129339697 1416193580 /nfs/dbraw/zinc/19/35/80/1416193580.db2.gz FZHXXMQDLKQNMZ-HNNXBMFYSA-N -1 3 383.460 3.354 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000129442430 1416210019 /nfs/dbraw/zinc/21/00/19/1416210019.db2.gz DFCRAZXTQFDHPD-UHFFFAOYSA-N -1 3 398.843 3.222 20 0 GGADHM CC[C@H](C(=O)Nc1cccc([O-])c1F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000129463553 1416213757 /nfs/dbraw/zinc/21/37/57/1416213757.db2.gz XSOPLCIZQINGOI-CYBMUJFWSA-N -1 3 375.791 3.428 20 0 GGADHM CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129470993 1416214724 /nfs/dbraw/zinc/21/47/24/1416214724.db2.gz OSCWVRJILZXVGG-HNNXBMFYSA-N -1 3 377.391 3.277 20 0 GGADHM CCCS(=O)(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129481513 1416216776 /nfs/dbraw/zinc/21/67/76/1416216776.db2.gz PDPTXBVMTOLFMU-UHFFFAOYSA-N -1 3 390.486 3.432 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000129505262 1416219852 /nfs/dbraw/zinc/21/98/52/1416219852.db2.gz SDLMRDKNONNUNU-APWZRJJASA-N -1 3 376.403 3.468 20 0 GGADHM Cn1c2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc2nc1C(C)(C)C ZINC000129571019 1416230410 /nfs/dbraw/zinc/23/04/10/1416230410.db2.gz FGCULIWJFJOCBQ-UHFFFAOYSA-N -1 3 375.432 3.360 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2C)c([O-])c1 ZINC000129590761 1416233664 /nfs/dbraw/zinc/23/36/64/1416233664.db2.gz VVFLBTGTRADWPJ-UHFFFAOYSA-N -1 3 379.416 3.374 20 0 GGADHM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc([O-])c1F ZINC000129637570 1416240942 /nfs/dbraw/zinc/24/09/42/1416240942.db2.gz WLLDNIQKGBMURO-UHFFFAOYSA-N -1 3 392.452 3.267 20 0 GGADHM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000129663882 1416244999 /nfs/dbraw/zinc/24/49/99/1416244999.db2.gz YQLRWUDGSJDNNB-NSHDSACASA-N -1 3 382.482 3.161 20 0 GGADHM Cc1nc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)sc1Cc1ccc(F)cc1 ZINC000129918615 1416284684 /nfs/dbraw/zinc/28/46/84/1416284684.db2.gz LUGQGLAXHAIMEZ-UHFFFAOYSA-N -1 3 386.452 3.063 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC4(C3)CCCCC4)nc(=O)c2c1C ZINC000129978852 1416295340 /nfs/dbraw/zinc/29/53/40/1416295340.db2.gz ITOPLPIBZJPGBC-UHFFFAOYSA-N -1 3 375.494 3.236 20 0 GGADHM O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc([O-])cc1F ZINC000130039511 1416306739 /nfs/dbraw/zinc/30/67/39/1416306739.db2.gz DEBIIHYUUBZOGH-AWEZNQCLSA-N -1 3 380.301 3.188 20 0 GGADHM Cc1ccc(NC(=O)c2ccon2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000130082503 1416314204 /nfs/dbraw/zinc/31/42/04/1416314204.db2.gz MIVIAWPYLSLJKS-UHFFFAOYSA-N -1 3 375.381 3.175 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(F)cccc2Br)s1 ZINC000130304098 1416354554 /nfs/dbraw/zinc/35/45/54/1416354554.db2.gz PUJGSVRYZWLTJU-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)n[n-]2)o1 ZINC000130405994 1416372512 /nfs/dbraw/zinc/37/25/12/1416372512.db2.gz VTQXNYHEBKZOKF-UHFFFAOYSA-N -1 3 385.811 3.406 20 0 GGADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000130502118 1416390110 /nfs/dbraw/zinc/39/01/10/1416390110.db2.gz AJMVDGCULUHMIL-ZDUSSCGKSA-N -1 3 394.393 3.136 20 0 GGADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1nc2ccccc2n1C ZINC000130538973 1416395524 /nfs/dbraw/zinc/39/55/24/1416395524.db2.gz DADRHDBFYIBRRV-LLVKDONJSA-N -1 3 391.424 3.002 20 0 GGADHM CS[C@@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000130631228 1416414320 /nfs/dbraw/zinc/41/43/20/1416414320.db2.gz GYRUQMJBIYEPLS-ZDUSSCGKSA-N -1 3 396.509 3.416 20 0 GGADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000130919858 1416481391 /nfs/dbraw/zinc/48/13/91/1416481391.db2.gz OHGPDTHTPXLWKO-KRWDZBQOSA-N -1 3 391.899 3.495 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000130997617 1416493616 /nfs/dbraw/zinc/49/36/16/1416493616.db2.gz VABSWNLCLANSGR-UHFFFAOYSA-N -1 3 380.366 3.249 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c(=O)[n-]1 ZINC000131071546 1416504865 /nfs/dbraw/zinc/50/48/65/1416504865.db2.gz UAOXJAKMBFIEIO-HNNXBMFYSA-N -1 3 389.883 3.043 20 0 GGADHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000131202803 1416523148 /nfs/dbraw/zinc/52/31/48/1416523148.db2.gz UNOKZQTVZYJHAH-AWEZNQCLSA-N -1 3 376.478 3.171 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000131420939 1416555188 /nfs/dbraw/zinc/55/51/88/1416555188.db2.gz YVQXVITZXKQQPA-PXNSSMCTSA-N -1 3 391.471 3.432 20 0 GGADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)cc1 ZINC000131726639 1416605406 /nfs/dbraw/zinc/60/54/06/1416605406.db2.gz PBCVMYAFBCGMFD-UHFFFAOYSA-N -1 3 390.505 3.475 20 0 GGADHM COCCC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000178578444 1429112979 /nfs/dbraw/zinc/11/29/79/1429112979.db2.gz QBOBBCWZBKNQLV-UHFFFAOYSA-N -1 3 380.872 3.039 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000131823578 1416629314 /nfs/dbraw/zinc/62/93/14/1416629314.db2.gz YVPPMFOHLXNSAW-HNNXBMFYSA-N -1 3 383.231 3.121 20 0 GGADHM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1c[n-]c2ccccc2c1=O ZINC000131989830 1416667244 /nfs/dbraw/zinc/66/72/44/1416667244.db2.gz JQCSFHRTFDNKIW-KRWDZBQOSA-N -1 3 395.846 3.107 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000132010279 1416672957 /nfs/dbraw/zinc/67/29/57/1416672957.db2.gz ITTNAVMMALSUHY-UHFFFAOYSA-N -1 3 388.449 3.143 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000132012398 1416673721 /nfs/dbraw/zinc/67/37/21/1416673721.db2.gz RMISIOKQQNRPCW-UHFFFAOYSA-N -1 3 388.449 3.143 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)Cc2cccc(Cl)c2)c(=O)[n-]1 ZINC000132078443 1416689906 /nfs/dbraw/zinc/68/99/06/1416689906.db2.gz LJHKNOWUHTUARN-UHFFFAOYSA-N -1 3 375.900 3.358 20 0 GGADHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000132098564 1416695817 /nfs/dbraw/zinc/69/58/17/1416695817.db2.gz YPPYZANOTJKGHR-IUODEOHRSA-N -1 3 396.534 3.378 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@@H]1C ZINC000132115017 1416699887 /nfs/dbraw/zinc/69/98/87/1416699887.db2.gz QZLHZSILSHKNOW-OLZOCXBDSA-N -1 3 379.457 3.073 20 0 GGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)c(C)c3)cc21 ZINC000132264067 1416725814 /nfs/dbraw/zinc/72/58/14/1416725814.db2.gz SWTOXNGQPNYBFR-UHFFFAOYSA-N -1 3 387.505 3.161 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)ccc1C ZINC000132266153 1416726199 /nfs/dbraw/zinc/72/61/99/1416726199.db2.gz JIILTOQYRNYIJT-UHFFFAOYSA-N -1 3 381.885 3.474 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCN(c2ccccc2F)C1=O ZINC000132482385 1416770454 /nfs/dbraw/zinc/77/04/54/1416770454.db2.gz WWBPHPUUWHIQPG-OAHLLOKOSA-N -1 3 392.377 3.238 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([C@H](C)O)cc2)sc1Br ZINC000178614791 1429122094 /nfs/dbraw/zinc/12/20/94/1429122094.db2.gz RYMXAIJXRBLKBK-JTQLQIEISA-N -1 3 390.324 3.351 20 0 GGADHM Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000132711320 1416806965 /nfs/dbraw/zinc/80/69/65/1416806965.db2.gz KESZYHMQYJDHFH-UHFFFAOYSA-N -1 3 386.452 3.093 20 0 GGADHM Cc1cc(C[C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)n(-c2ccccc2)n1 ZINC000132720082 1416807823 /nfs/dbraw/zinc/80/78/23/1416807823.db2.gz HKSLUWPPDSIZLG-AWEZNQCLSA-N -1 3 382.439 3.456 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1cccc(Cl)c1 ZINC000132732811 1416809065 /nfs/dbraw/zinc/80/90/65/1416809065.db2.gz DVALDGPQTDXDQE-RDTXWAMCSA-N -1 3 376.815 3.021 20 0 GGADHM O=C(CCCCCNC(=O)NC1CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000132798785 1416816418 /nfs/dbraw/zinc/81/64/18/1416816418.db2.gz PJKMCVINSCTHES-UHFFFAOYSA-N -1 3 379.476 3.340 20 0 GGADHM CC(C)c1nc(C(=O)[N-]c2nc3ccccn3n2)nn1-c1ccccc1Cl ZINC000132832503 1416820730 /nfs/dbraw/zinc/82/07/30/1416820730.db2.gz QUKHPUUAHOAXLJ-UHFFFAOYSA-N -1 3 381.827 3.339 20 0 GGADHM Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc([O-])c(F)c3)C2)c1 ZINC000132900764 1416828817 /nfs/dbraw/zinc/82/88/17/1416828817.db2.gz SWPLOEJCAWPCMC-KRWDZBQOSA-N -1 3 384.451 3.317 20 0 GGADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc([O-])c(F)c1 ZINC000132927939 1416832388 /nfs/dbraw/zinc/83/23/88/1416832388.db2.gz WTVLQVCIPLNFHE-UHFFFAOYSA-N -1 3 375.787 3.484 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132931530 1416832579 /nfs/dbraw/zinc/83/25/79/1416832579.db2.gz WILVEYANRKEYBP-FQEVSTJZSA-N -1 3 392.430 3.189 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(F)c(C)cc2F)cc1OC ZINC000133090712 1416851052 /nfs/dbraw/zinc/85/10/52/1416851052.db2.gz NKLGSCARLCANLT-UHFFFAOYSA-N -1 3 384.404 3.296 20 0 GGADHM CC[C@H](C(=O)NCc1ccc([O-])c(F)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000133142239 1416856470 /nfs/dbraw/zinc/85/64/70/1416856470.db2.gz SVIPRSLYJZCYAX-OAHLLOKOSA-N -1 3 389.818 3.106 20 0 GGADHM O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000133147753 1416857499 /nfs/dbraw/zinc/85/74/99/1416857499.db2.gz KDJIHZSHLPXIJD-UHFFFAOYSA-N -1 3 394.402 3.370 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000133199144 1416863559 /nfs/dbraw/zinc/86/35/59/1416863559.db2.gz ZNLRUHVOBKCICL-UHFFFAOYSA-N -1 3 399.443 3.435 20 0 GGADHM CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000133455909 1416891484 /nfs/dbraw/zinc/89/14/84/1416891484.db2.gz HQGQKFMXKKPYEZ-AWEZNQCLSA-N -1 3 394.468 3.090 20 0 GGADHM COCCCN(CCc1ccc(OC)cc1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736982266 1429140457 /nfs/dbraw/zinc/14/04/57/1429140457.db2.gz TZIILGGUISIVTL-UHFFFAOYSA-N -1 3 399.470 3.096 20 0 GGADHM COCCC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000133593654 1416914004 /nfs/dbraw/zinc/91/40/04/1416914004.db2.gz QWFREEKUJOHPTI-UHFFFAOYSA-N -1 3 394.899 3.430 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000133777901 1416961782 /nfs/dbraw/zinc/96/17/82/1416961782.db2.gz IKIKVNJGTNKBNJ-CQSZACIVSA-N -1 3 385.508 3.201 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c1 ZINC000133922459 1416995595 /nfs/dbraw/zinc/99/55/95/1416995595.db2.gz WAUWQVQMPVQMMD-UHFFFAOYSA-N -1 3 389.415 3.084 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)N(C)C ZINC000133969735 1417003287 /nfs/dbraw/zinc/00/32/87/1417003287.db2.gz BFAAOFBEBUMFLG-KRWDZBQOSA-N -1 3 375.494 3.075 20 0 GGADHM O=C(CCOc1ccccc1)[N-]OCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000134162143 1417030986 /nfs/dbraw/zinc/03/09/86/1417030986.db2.gz LVMWVZUSHPAXJX-UHFFFAOYSA-N -1 3 393.321 3.171 20 0 GGADHM O=C(CCOc1ccccc1)[N-]OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000134161943 1417031044 /nfs/dbraw/zinc/03/10/44/1417031044.db2.gz IXYWNUYBYWYJLS-UHFFFAOYSA-N -1 3 375.331 3.032 20 0 GGADHM O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134192461 1417036348 /nfs/dbraw/zinc/03/63/48/1417036348.db2.gz CQCDDSMNOOKXSM-UHFFFAOYSA-N -1 3 378.310 3.427 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000134217332 1417038988 /nfs/dbraw/zinc/03/89/88/1417038988.db2.gz IZSVBBKYGYUIBS-CYBMUJFWSA-N -1 3 378.350 3.398 20 0 GGADHM Cc1nc(CNC(=O)c2nnc3ccccc3c2[O-])oc1-c1ccc(Cl)cc1 ZINC000134233292 1417042280 /nfs/dbraw/zinc/04/22/80/1417042280.db2.gz NVCZXFSGENNECV-UHFFFAOYSA-N -1 3 394.818 3.470 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2c(F)cccc2F)cc1OC ZINC000134344348 1417058031 /nfs/dbraw/zinc/05/80/31/1417058031.db2.gz PZPOOUNBEOOBJH-LLVKDONJSA-N -1 3 398.431 3.477 20 0 GGADHM O=C(NCc1ccccc1)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000134442380 1417068255 /nfs/dbraw/zinc/06/82/55/1417068255.db2.gz XXHPROMHUGHUHJ-RCCKNPSSSA-N -1 3 397.434 3.340 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1C ZINC000134453375 1417070353 /nfs/dbraw/zinc/07/03/53/1417070353.db2.gz JBJJQMJPOUYNMR-UHFFFAOYSA-N -1 3 391.468 3.494 20 0 GGADHM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2F)c1 ZINC000134466705 1417072982 /nfs/dbraw/zinc/07/29/82/1417072982.db2.gz OMRILUUXVOCRAV-UHFFFAOYSA-N -1 3 399.403 3.227 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc(Cl)cc1Cl ZINC000134733395 1417118111 /nfs/dbraw/zinc/11/81/11/1417118111.db2.gz GLXXGPBUNCDARI-JTQLQIEISA-N -1 3 383.206 3.145 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)c(F)c1)c1cc(F)ccc1Cl ZINC000135009888 1417160358 /nfs/dbraw/zinc/16/03/58/1417160358.db2.gz ZFTCUQKJOOTUEV-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000135111520 1417173089 /nfs/dbraw/zinc/17/30/89/1417173089.db2.gz DKJFIOOMZJFYGU-UHFFFAOYSA-N -1 3 389.383 3.413 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1F ZINC000135195637 1417185323 /nfs/dbraw/zinc/18/53/23/1417185323.db2.gz WYMHIXRBGJSBGW-KEYYUXOJSA-N -1 3 382.501 3.306 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCc3nc(C4CCCC4)no3)c2)n1 ZINC000135213986 1417189318 /nfs/dbraw/zinc/18/93/18/1417189318.db2.gz DSAWAMGPOKVHHM-UHFFFAOYSA-N -1 3 394.431 3.324 20 0 GGADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178781982 1429168913 /nfs/dbraw/zinc/16/89/13/1429168913.db2.gz BUFKHRNCBGFXFV-RKDXNWHRSA-N -1 3 381.306 3.240 20 0 GGADHM CCCCNc1ccccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000135618621 1417247686 /nfs/dbraw/zinc/24/76/86/1417247686.db2.gz WHTYEWICGSCCII-UHFFFAOYSA-N -1 3 381.476 3.202 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(Cl)c1 ZINC000135969103 1417282348 /nfs/dbraw/zinc/28/23/48/1417282348.db2.gz XKUPCDXFSPJJRM-UHFFFAOYSA-N -1 3 394.667 3.202 20 0 GGADHM O=C(NCCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccc([O-])cc1 ZINC000136249007 1417304955 /nfs/dbraw/zinc/30/49/55/1417304955.db2.gz OSZINMNMMDWCSW-UHFFFAOYSA-N -1 3 395.846 3.267 20 0 GGADHM O=S(=O)([N-]CC1([C@H](O)c2ccccc2)CC1)c1ccc(Cl)nc1Cl ZINC000178801701 1429174320 /nfs/dbraw/zinc/17/43/20/1429174320.db2.gz XBHPBCKREFYMSU-CQSZACIVSA-N -1 3 387.288 3.181 20 0 GGADHM COc1ccc(-c2nnc([N-]C(=O)c3cn(Cc4ccccc4)nn3)s2)cc1 ZINC000136412941 1417314847 /nfs/dbraw/zinc/31/48/47/1417314847.db2.gz SRGDDYNQHGDKPR-UHFFFAOYSA-N -1 3 392.444 3.106 20 0 GGADHM O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136698428 1417339632 /nfs/dbraw/zinc/33/96/32/1417339632.db2.gz BUGYOFAZAVLWSO-UHFFFAOYSA-N -1 3 393.365 3.401 20 0 GGADHM O=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136715379 1417340971 /nfs/dbraw/zinc/34/09/71/1417340971.db2.gz IYMQHEZUTUBNTO-UHFFFAOYSA-N -1 3 379.460 3.261 20 0 GGADHM Cc1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)c(OCCCC(C)C)c1 ZINC000136933053 1417355952 /nfs/dbraw/zinc/35/59/52/1417355952.db2.gz KCZHIYZZGRMVRE-UHFFFAOYSA-N -1 3 385.508 3.369 20 0 GGADHM CCC[C@H]1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000137048492 1417364941 /nfs/dbraw/zinc/36/49/41/1417364941.db2.gz UDYHBHXSLYZFIU-LBPRGKRZSA-N -1 3 386.464 3.058 20 0 GGADHM Cc1ccc2cccc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2n1 ZINC000137163536 1417371995 /nfs/dbraw/zinc/37/19/95/1417371995.db2.gz YPHQWJYYRSQRCX-UHFFFAOYSA-N -1 3 390.443 3.239 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000138100858 1417405289 /nfs/dbraw/zinc/40/52/89/1417405289.db2.gz GTACKJVRSCZHEI-UHFFFAOYSA-N -1 3 396.491 3.065 20 0 GGADHM O=C(Nc1cccc(-c2ncco2)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000138134250 1417406036 /nfs/dbraw/zinc/40/60/36/1417406036.db2.gz NCPSUEBDEOCDMX-UHFFFAOYSA-N -1 3 392.415 3.037 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3cscn3)nc(=O)c2c1C ZINC000138663768 1417432702 /nfs/dbraw/zinc/43/27/02/1417432702.db2.gz PUVMIYBYUOVHNL-SNVBAGLBSA-N -1 3 392.506 3.119 20 0 GGADHM CC(C)(C)NC(=S)N[N-]C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000139009748 1417445563 /nfs/dbraw/zinc/44/55/63/1417445563.db2.gz CAVZUQSSBGNSQD-UHFFFAOYSA-N -1 3 386.308 3.087 20 0 GGADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)n1 ZINC000139666007 1417468094 /nfs/dbraw/zinc/46/80/94/1417468094.db2.gz XHLLKCHTIRLZRJ-OAQYLSRUSA-N -1 3 393.487 3.489 20 0 GGADHM CCc1cc2c(CN3CCC([C@H](O)C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000141068264 1417526033 /nfs/dbraw/zinc/52/60/33/1417526033.db2.gz KVASLCLKBZRCKA-SFHVURJKSA-N -1 3 385.382 3.196 20 0 GGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc2c(cc1[O-])OCO2 ZINC000143440898 1417633911 /nfs/dbraw/zinc/63/39/11/1417633911.db2.gz ZDRXAEIYUSZGQN-UHFFFAOYSA-N -1 3 382.347 3.377 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H](C)Oc2ccccc2Cl)o1 ZINC000143542251 1417639441 /nfs/dbraw/zinc/63/94/41/1417639441.db2.gz SNPIVCZORZVFGC-CYBMUJFWSA-N -1 3 393.871 3.003 20 0 GGADHM OCCCN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCCc2ccccc21 ZINC000823718129 1429199465 /nfs/dbraw/zinc/19/94/65/1429199465.db2.gz PZLHXQNYTWXZDH-FQEVSTJZSA-N -1 3 381.455 3.268 20 0 GGADHM OCCCN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCCc2ccccc21 ZINC000823718129 1429199467 /nfs/dbraw/zinc/19/94/67/1429199467.db2.gz PZLHXQNYTWXZDH-FQEVSTJZSA-N -1 3 381.455 3.268 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cs1 ZINC000145146170 1417681360 /nfs/dbraw/zinc/68/13/60/1417681360.db2.gz LPWPDJAIPFYOMR-UHFFFAOYSA-N -1 3 392.440 3.324 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c1 ZINC000146592913 1417724988 /nfs/dbraw/zinc/72/49/88/1417724988.db2.gz NKPQALJKDKZUSK-AWEZNQCLSA-N -1 3 399.440 3.267 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000149664653 1417778964 /nfs/dbraw/zinc/77/89/64/1417778964.db2.gz ACLXXWLFNWAGHE-IRXDYDNUSA-N -1 3 389.883 3.340 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)n1 ZINC000150317272 1417788163 /nfs/dbraw/zinc/78/81/63/1417788163.db2.gz QYRGOIGBKGQJDE-UHFFFAOYSA-N -1 3 397.822 3.148 20 0 GGADHM COC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000150747448 1417797147 /nfs/dbraw/zinc/79/71/47/1417797147.db2.gz VWKBILRURWJPNC-SFHVURJKSA-N -1 3 394.468 3.027 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@@H]3C[C@H](O)c3ccccc3)cc(=O)oc12 ZINC000150786760 1417806482 /nfs/dbraw/zinc/80/64/82/1417806482.db2.gz OSPDZRHEZMSYCR-RXVVDRJESA-N -1 3 395.455 3.132 20 0 GGADHM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CCC5)[nH]c4c3)cc21 ZINC000150797333 1417808711 /nfs/dbraw/zinc/80/87/11/1417808711.db2.gz IFGQWBTUOLCXNV-UHFFFAOYSA-N -1 3 383.429 3.302 20 0 GGADHM Cc1oc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)cc1S(N)(=O)=O ZINC000151282525 1417914398 /nfs/dbraw/zinc/91/43/98/1417914398.db2.gz NPYAPKHZEFOQFE-UHFFFAOYSA-N -1 3 390.392 3.419 20 0 GGADHM O=S(=O)(Cc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000151328227 1417927146 /nfs/dbraw/zinc/92/71/46/1417927146.db2.gz SZKJLOXODGKULB-SFHVURJKSA-N -1 3 394.924 3.130 20 0 GGADHM CCN(CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000151411088 1417955939 /nfs/dbraw/zinc/95/59/39/1417955939.db2.gz AJEZFNBKANHMAK-UHFFFAOYSA-N -1 3 391.468 3.049 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl)c1nccs1 ZINC000151458702 1417980767 /nfs/dbraw/zinc/98/07/67/1417980767.db2.gz DJEXZSODKRBXLW-HNNXBMFYSA-N -1 3 388.898 3.187 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000178944342 1429226170 /nfs/dbraw/zinc/22/61/70/1429226170.db2.gz UWXIOOZGUNTIET-UHFFFAOYSA-N -1 3 396.487 3.269 20 0 GGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000178944305 1429226480 /nfs/dbraw/zinc/22/64/80/1429226480.db2.gz NRCPHDDLMRZTQF-UHFFFAOYSA-N -1 3 397.862 3.434 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CO[N-]C(=O)CCOc1ccccc1 ZINC000151550439 1418021771 /nfs/dbraw/zinc/02/17/71/1418021771.db2.gz AEHCLQUIVQMKAO-OAHLLOKOSA-N -1 3 390.867 3.376 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)s1 ZINC000151559688 1418024456 /nfs/dbraw/zinc/02/44/56/1418024456.db2.gz GOUUWIGHUOQVON-LLVKDONJSA-N -1 3 392.458 3.229 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000151561822 1418025303 /nfs/dbraw/zinc/02/53/03/1418025303.db2.gz JPKISEFSSDSYPH-HNNXBMFYSA-N -1 3 385.439 3.068 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151600450 1418036115 /nfs/dbraw/zinc/03/61/15/1418036115.db2.gz WMKRGXYKPYUWPN-ZDUSSCGKSA-N -1 3 399.285 3.170 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3cccnc3)nc(=O)c2c1C ZINC000151599623 1418036373 /nfs/dbraw/zinc/03/63/73/1418036373.db2.gz YYIQHOXIYPIJJM-GFCCVEGCSA-N -1 3 386.477 3.058 20 0 GGADHM COc1ccc2c(c1)OCC(C(=O)NCc1ccc([O-])c(Br)c1)=C2 ZINC000151622919 1418042808 /nfs/dbraw/zinc/04/28/08/1418042808.db2.gz HYROQXBSIIZDOI-UHFFFAOYSA-N -1 3 390.233 3.256 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000151626300 1418044282 /nfs/dbraw/zinc/04/42/82/1418044282.db2.gz YKSLXQZGJCNPDV-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM O=C([N-]NC(=O)c1cc2occc2[nH]1)c1ccc(Br)cc1Cl ZINC000152180443 1418166581 /nfs/dbraw/zinc/16/65/81/1418166581.db2.gz KMNGJQCLMRHMED-UHFFFAOYSA-N -1 3 382.601 3.252 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc2occc2[nH]1 ZINC000152252000 1418184711 /nfs/dbraw/zinc/18/47/11/1418184711.db2.gz BWUJVQJIOWPMRH-UHFFFAOYSA-N -1 3 387.339 3.404 20 0 GGADHM O=C(c1ccc(-c2ccc(Cl)cc2)cc1F)N1CCc2nc[n-]c(=O)c2C1 ZINC000179052285 1429250399 /nfs/dbraw/zinc/25/03/99/1429250399.db2.gz XMINLOOEFQGKFW-UHFFFAOYSA-N -1 3 383.810 3.428 20 0 GGADHM Cc1ccccc1Sc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000179051548 1429250569 /nfs/dbraw/zinc/25/05/69/1429250569.db2.gz HARBNOIUWWBMTL-UHFFFAOYSA-N -1 3 377.469 3.428 20 0 GGADHM O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179054067 1429250997 /nfs/dbraw/zinc/25/09/97/1429250997.db2.gz KNPZJQKUHCWJCQ-UHFFFAOYSA-N -1 3 395.846 3.201 20 0 GGADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCc2nc[n-]c(=O)c2C1 ZINC000179052797 1429251189 /nfs/dbraw/zinc/25/11/89/1429251189.db2.gz KNIKNMQIKHLBPQ-UHFFFAOYSA-N -1 3 385.467 3.249 20 0 GGADHM O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179058004 1429251866 /nfs/dbraw/zinc/25/18/66/1429251866.db2.gz XBJKEVNDCDMHGJ-UHFFFAOYSA-N -1 3 383.354 3.039 20 0 GGADHM O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000179065669 1429253275 /nfs/dbraw/zinc/25/32/75/1429253275.db2.gz IDUXLJSMVMKADV-UHFFFAOYSA-N -1 3 395.846 3.054 20 0 GGADHM O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCc2nc[n-]c(=O)c2C1 ZINC000179090562 1429259553 /nfs/dbraw/zinc/25/95/53/1429259553.db2.gz UYLRLXMTUPZFAM-UHFFFAOYSA-N -1 3 388.452 3.245 20 0 GGADHM O=C([C@H](Sc1ccccc1F)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179094253 1429260486 /nfs/dbraw/zinc/26/04/86/1429260486.db2.gz DDVCPYNCZOATGY-LJQANCHMSA-N -1 3 395.459 3.327 20 0 GGADHM CC(C)(C)c1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(O)c(C(C)(C)C)c1 ZINC000179119054 1429268271 /nfs/dbraw/zinc/26/82/71/1429268271.db2.gz JNZSLPBICXRXQA-UHFFFAOYSA-N -1 3 383.492 3.269 20 0 GGADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000179132216 1429272713 /nfs/dbraw/zinc/27/27/13/1429272713.db2.gz WOPJKBYIYXUCCA-YPMHNXCESA-N -1 3 389.304 3.221 20 0 GGADHM C/C(=C\c1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179134206 1429273511 /nfs/dbraw/zinc/27/35/11/1429273511.db2.gz LSDVDLCKVHEFRD-FYWRMAATSA-N -1 3 384.863 3.434 20 0 GGADHM CN(C)[C@H](CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1ccsc1 ZINC000736759607 1429276500 /nfs/dbraw/zinc/27/65/00/1429276500.db2.gz NKXZYQQVPYXOPM-MRXNPFEDSA-N -1 3 399.911 3.267 20 0 GGADHM CN(C)[C@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1ccsc1 ZINC000736759607 1429276504 /nfs/dbraw/zinc/27/65/04/1429276504.db2.gz NKXZYQQVPYXOPM-MRXNPFEDSA-N -1 3 399.911 3.267 20 0 GGADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000179132225 1429272254 /nfs/dbraw/zinc/27/22/54/1429272254.db2.gz WOPJKBYIYXUCCA-WCQYABFASA-N -1 3 389.304 3.221 20 0 GGADHM C[C@](O)(CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000179273939 1429310908 /nfs/dbraw/zinc/31/09/08/1429310908.db2.gz UUFUFNAIMDVTEE-KRWDZBQOSA-N -1 3 397.244 3.001 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(C)cc21 ZINC000179275270 1429311295 /nfs/dbraw/zinc/31/12/95/1429311295.db2.gz YLSMGQQENYYVEL-INIZCTEOSA-N -1 3 377.437 3.277 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000179294009 1429317666 /nfs/dbraw/zinc/31/76/66/1429317666.db2.gz DBNYOJQJEFBSTK-UHFFFAOYSA-N -1 3 399.390 3.248 20 0 GGADHM C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824617381 1429334877 /nfs/dbraw/zinc/33/48/77/1429334877.db2.gz HFUADJXLJDAMOL-ZDUSSCGKSA-N -1 3 382.493 3.491 20 0 GGADHM C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824617381 1429334883 /nfs/dbraw/zinc/33/48/83/1429334883.db2.gz HFUADJXLJDAMOL-ZDUSSCGKSA-N -1 3 382.493 3.491 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179361384 1429343859 /nfs/dbraw/zinc/34/38/59/1429343859.db2.gz BRIRVSSKVQATCG-KZULUSFZSA-N -1 3 394.805 3.160 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1ccccn1 ZINC000179427268 1429371658 /nfs/dbraw/zinc/37/16/58/1429371658.db2.gz OCSVVTYICFMOAX-KRWDZBQOSA-N -1 3 389.502 3.231 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2Cc3ccccc32)c1 ZINC000179438692 1429376474 /nfs/dbraw/zinc/37/64/74/1429376474.db2.gz HFGPUEWDUPOIPJ-CQSZACIVSA-N -1 3 377.400 3.011 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000179451252 1429381256 /nfs/dbraw/zinc/38/12/56/1429381256.db2.gz PWNGTLYBVAPQMN-SFHVURJKSA-N -1 3 395.390 3.497 20 0 GGADHM C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824618221 1429381450 /nfs/dbraw/zinc/38/14/50/1429381450.db2.gz NIEYVJCWPZXQAZ-CQSZACIVSA-N -1 3 376.464 3.456 20 0 GGADHM C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618221 1429381452 /nfs/dbraw/zinc/38/14/52/1429381452.db2.gz NIEYVJCWPZXQAZ-CQSZACIVSA-N -1 3 376.464 3.456 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccn2)c1 ZINC000179459333 1429383663 /nfs/dbraw/zinc/38/36/63/1429383663.db2.gz MVUZRWGXJBBHNJ-GFCCVEGCSA-N -1 3 380.404 3.169 20 0 GGADHM Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1F ZINC000826261441 1429395098 /nfs/dbraw/zinc/39/50/98/1429395098.db2.gz FQAGCSWOIRGSIL-KUHUBIRLSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1F ZINC000826261441 1429395104 /nfs/dbraw/zinc/39/51/04/1429395104.db2.gz FQAGCSWOIRGSIL-KUHUBIRLSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000179512135 1429403042 /nfs/dbraw/zinc/40/30/42/1429403042.db2.gz KYTSZJQXNRNVKH-UHFFFAOYSA-N -1 3 395.390 3.499 20 0 GGADHM CCc1ccccc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179512939 1429403534 /nfs/dbraw/zinc/40/35/34/1429403534.db2.gz IPCNRSOGNSJOEL-UHFFFAOYSA-N -1 3 379.416 3.433 20 0 GGADHM Cc1ccc(-c2nc([N-]C(=O)c3cn(-c4ccc(F)cc4C)nn3)n[nH]2)cc1 ZINC000179506663 1429400988 /nfs/dbraw/zinc/40/09/88/1429400988.db2.gz CSYPDSJYTSOINO-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccccc3F)CC2)c1 ZINC000179508653 1429401384 /nfs/dbraw/zinc/40/13/84/1429401384.db2.gz JLHMTKSODRTOGA-UHFFFAOYSA-N -1 3 395.390 3.499 20 0 GGADHM C[C@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCCO1 ZINC000824985084 1429431101 /nfs/dbraw/zinc/43/11/01/1429431101.db2.gz RDUKYGQFECYLHA-INIZCTEOSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@H]1CN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCO1 ZINC000824985084 1429431102 /nfs/dbraw/zinc/43/11/02/1429431102.db2.gz RDUKYGQFECYLHA-INIZCTEOSA-N -1 3 379.464 3.057 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000179623098 1429475319 /nfs/dbraw/zinc/47/53/19/1429475319.db2.gz IEQRZTSKBIZOLW-UHFFFAOYSA-N -1 3 378.831 3.022 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000179643018 1429486319 /nfs/dbraw/zinc/48/63/19/1429486319.db2.gz NJAURXVMSJJGQO-KRWDZBQOSA-N -1 3 380.375 3.330 20 0 GGADHM COc1ccccc1COC1CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000826220275 1429500792 /nfs/dbraw/zinc/50/07/92/1429500792.db2.gz IJCFXDPHZXCMAP-UHFFFAOYSA-N -1 3 394.479 3.073 20 0 GGADHM COc1ccccc1COC1CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000826220275 1429500795 /nfs/dbraw/zinc/50/07/95/1429500795.db2.gz IJCFXDPHZXCMAP-UHFFFAOYSA-N -1 3 394.479 3.073 20 0 GGADHM C[C@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824571672 1429516982 /nfs/dbraw/zinc/51/69/82/1429516982.db2.gz QVTDUZBLTISPQQ-GTNSWQLSSA-N -1 3 390.413 3.238 20 0 GGADHM C[C@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824571672 1429516989 /nfs/dbraw/zinc/51/69/89/1429516989.db2.gz QVTDUZBLTISPQQ-GTNSWQLSSA-N -1 3 390.413 3.238 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(C3CC3)s2)c(Cl)cc1Cl ZINC000152345555 1422079416 /nfs/dbraw/zinc/07/94/16/1422079416.db2.gz FMSJOTWWOMIYET-UHFFFAOYSA-N -1 3 392.289 3.378 20 0 GGADHM CC1(C)C[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000152615038 1422166258 /nfs/dbraw/zinc/16/62/58/1422166258.db2.gz YRQUHUXJWGUPHO-HXUWFJFHSA-N -1 3 393.487 3.282 20 0 GGADHM O=C(NCCc1ccc(Cl)nc1)NCc1ccc([O-])c(Br)c1 ZINC000152625666 1422175472 /nfs/dbraw/zinc/17/54/72/1422175472.db2.gz LNSPJQFDZIRYFI-UHFFFAOYSA-N -1 3 384.661 3.245 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C(=O)N(C)C ZINC000179747103 1429535449 /nfs/dbraw/zinc/53/54/49/1429535449.db2.gz YUVPPLIPVGZDIN-UHFFFAOYSA-N -1 3 376.478 3.285 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000152669075 1422200502 /nfs/dbraw/zinc/20/05/02/1422200502.db2.gz VYQHDFWJTFHUCZ-HOTGVXAUSA-N -1 3 388.464 3.499 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1ccco1 ZINC000152717687 1422223147 /nfs/dbraw/zinc/22/31/47/1422223147.db2.gz BODZRIPSKUYBJF-LJQANCHMSA-N -1 3 389.477 3.209 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccco1 ZINC000152720441 1422224501 /nfs/dbraw/zinc/22/45/01/1422224501.db2.gz GDTFUBNENNXEOK-KRWDZBQOSA-N -1 3 375.450 3.203 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccco1 ZINC000152729516 1422228313 /nfs/dbraw/zinc/22/83/13/1422228313.db2.gz HHEIJPKPIWMSRW-SFHVURJKSA-N -1 3 375.450 3.134 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000152842870 1422268002 /nfs/dbraw/zinc/26/80/02/1422268002.db2.gz UVRIYMXMPIRRRW-ICSRJNTNSA-N -1 3 380.423 3.456 20 0 GGADHM Cc1noc(C2CC2)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000152915355 1422294090 /nfs/dbraw/zinc/29/40/90/1422294090.db2.gz SIPHERNJNQAJSO-UHFFFAOYSA-N -1 3 395.456 3.329 20 0 GGADHM Cc1cc(C)cc(NC(=O)NN=c2[n-]c(Br)cn3ccnc23)c1 ZINC000152948312 1422305339 /nfs/dbraw/zinc/30/53/39/1422305339.db2.gz DGKGOZHPTYPDSH-UHFFFAOYSA-N -1 3 375.230 3.257 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)cc3OCCOC)nc2)n1 ZINC000152989074 1422318577 /nfs/dbraw/zinc/31/85/77/1422318577.db2.gz FXTQHSNDVJSWBT-UHFFFAOYSA-N -1 3 394.475 3.340 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000153097166 1422355308 /nfs/dbraw/zinc/35/53/08/1422355308.db2.gz GRZGLOHSDLTQQM-IERDGZPVSA-N -1 3 393.487 3.498 20 0 GGADHM O=C(/C=C/c1cccc(OC2CCCC2)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000153099837 1422356393 /nfs/dbraw/zinc/35/63/93/1422356393.db2.gz CARWRJJEIHJLFU-MDWZMJQESA-N -1 3 394.471 3.273 20 0 GGADHM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000153100805 1422356849 /nfs/dbraw/zinc/35/68/49/1422356849.db2.gz LQWWUCHZHYNKSN-QSOAKEGCSA-N -1 3 382.460 3.129 20 0 GGADHM CCc1n[n-]c(S(=O)(=O)Cc2ccc(Oc3ccccc3F)c(F)c2)n1 ZINC000153110104 1422360304 /nfs/dbraw/zinc/36/03/04/1422360304.db2.gz UANHNUUXOZGUSW-UHFFFAOYSA-N -1 3 379.388 3.412 20 0 GGADHM CCc1nnc(S(=O)(=O)Cc2ccc(Oc3ccccc3F)c(F)c2)[n-]1 ZINC000153110104 1422360317 /nfs/dbraw/zinc/36/03/17/1422360317.db2.gz UANHNUUXOZGUSW-UHFFFAOYSA-N -1 3 379.388 3.412 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccc(O)c1 ZINC000153161997 1422377280 /nfs/dbraw/zinc/37/72/80/1422377280.db2.gz TVIRMTXEASCNGS-LBPRGKRZSA-N -1 3 394.468 3.099 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)nc21 ZINC000179777523 1429556732 /nfs/dbraw/zinc/55/67/32/1429556732.db2.gz ZNZIQLNHQBJUMM-UHFFFAOYSA-N -1 3 393.378 3.301 20 0 GGADHM O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)[N-]OCc1cccnc1 ZINC000153246706 1422415935 /nfs/dbraw/zinc/41/59/35/1422415935.db2.gz WMFZZIWOMNKUPN-UHFFFAOYSA-N -1 3 388.493 3.455 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC(C)(C)C ZINC000153250320 1422418581 /nfs/dbraw/zinc/41/85/81/1422418581.db2.gz SZENWOVZYVBMGD-MRXNPFEDSA-N -1 3 378.494 3.021 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)c[n-]c12 ZINC000153281545 1422437111 /nfs/dbraw/zinc/43/71/11/1422437111.db2.gz PFFYCHPIPUIPBA-MRXNPFEDSA-N -1 3 382.391 3.396 20 0 GGADHM O=C(NCCNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000153358037 1422490227 /nfs/dbraw/zinc/49/02/27/1422490227.db2.gz PDQQEDAKKSQRAQ-UHFFFAOYSA-N -1 3 386.757 3.224 20 0 GGADHM O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737890639 1429563690 /nfs/dbraw/zinc/56/36/90/1429563690.db2.gz BPZSQRSRANRHJZ-LJQANCHMSA-N -1 3 380.427 3.075 20 0 GGADHM O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737890639 1429563696 /nfs/dbraw/zinc/56/36/96/1429563696.db2.gz BPZSQRSRANRHJZ-LJQANCHMSA-N -1 3 380.427 3.075 20 0 GGADHM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153416291 1422523262 /nfs/dbraw/zinc/52/32/62/1422523262.db2.gz PEMOBYCDEBOCNZ-UHFFFAOYSA-N -1 3 385.855 3.436 20 0 GGADHM Cc1ccc(Br)c(C(=O)[N-]n2c(C)nc3sccc3c2=O)c1 ZINC000153483339 1422561894 /nfs/dbraw/zinc/56/18/94/1422561894.db2.gz JDNSLLAITCFLGW-UHFFFAOYSA-N -1 3 378.251 3.221 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)[N-]OCC(C)C)C1 ZINC000153632868 1422661733 /nfs/dbraw/zinc/66/17/33/1422661733.db2.gz CEIIGSOLTQMCIF-AWEZNQCLSA-N -1 3 397.313 3.314 20 0 GGADHM COc1cccc(/C=C(\C(=O)Nc2cc(Cl)cc(C)c2[O-])n2nnnc2C)c1 ZINC000179802706 1429576932 /nfs/dbraw/zinc/57/69/32/1429576932.db2.gz KATUVNHKBAIQIE-RQZCQDPDSA-N -1 3 399.838 3.294 20 0 GGADHM COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826180753 1429577104 /nfs/dbraw/zinc/57/71/04/1429577104.db2.gz VUJCEWJJJDZNFX-CHWSQXEVSA-N -1 3 380.452 3.246 20 0 GGADHM COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826180753 1429577108 /nfs/dbraw/zinc/57/71/08/1429577108.db2.gz VUJCEWJJJDZNFX-CHWSQXEVSA-N -1 3 380.452 3.246 20 0 GGADHM CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153669767 1422694241 /nfs/dbraw/zinc/69/42/41/1422694241.db2.gz HUAMTJZRMHDQGK-MRXNPFEDSA-N -1 3 392.908 3.465 20 0 GGADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCCc1ccccc1 ZINC000153723663 1422722798 /nfs/dbraw/zinc/72/27/98/1422722798.db2.gz BMENLCXFKIROTL-KRWDZBQOSA-N -1 3 376.456 3.178 20 0 GGADHM CCCc1nnc([N-]C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)s1 ZINC000153817477 1422777291 /nfs/dbraw/zinc/77/72/91/1422777291.db2.gz UKRZEGIIGPBVTR-UHFFFAOYSA-N -1 3 394.305 3.453 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000153937161 1422813820 /nfs/dbraw/zinc/81/38/20/1422813820.db2.gz HXCXPSSWEYOFRG-OAHLLOKOSA-N -1 3 378.252 3.319 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000153937268 1422813833 /nfs/dbraw/zinc/81/38/33/1422813833.db2.gz HXCXPSSWEYOFRG-HNNXBMFYSA-N -1 3 378.252 3.319 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000153963761 1422818038 /nfs/dbraw/zinc/81/80/38/1422818038.db2.gz KIOVYVFHVBALTN-INIZCTEOSA-N -1 3 392.279 3.460 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](O)c3ccccc3)cc2)cc1 ZINC000154033244 1422829001 /nfs/dbraw/zinc/82/90/01/1422829001.db2.gz QZAIQWOCPNKORV-FQEVSTJZSA-N -1 3 396.468 3.468 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)cc1OC ZINC000154039931 1422830437 /nfs/dbraw/zinc/83/04/37/1422830437.db2.gz OMQYZNKYNPHQLM-UHFFFAOYSA-N -1 3 382.457 3.014 20 0 GGADHM COc1cc(C(=O)[N-]c2ncnc3c2c(C)c(C)n3Cc2ccccc2)on1 ZINC000154117855 1422842815 /nfs/dbraw/zinc/84/28/15/1422842815.db2.gz NTPCDNMHEDOTSQ-UHFFFAOYSA-N -1 3 377.404 3.345 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2nc3ccccc3s2)s1 ZINC000154330660 1422873584 /nfs/dbraw/zinc/87/35/84/1422873584.db2.gz BDLBZXNHRVNQHC-SNVBAGLBSA-N -1 3 396.515 3.226 20 0 GGADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)[N-]NC(=O)c2cccc(C#N)c2)c1 ZINC000154410434 1422885317 /nfs/dbraw/zinc/88/53/17/1422885317.db2.gz SVTOJKBOUCZASE-UHFFFAOYSA-N -1 3 398.850 3.271 20 0 GGADHM Cc1ncc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1Cl ZINC000154487394 1422895492 /nfs/dbraw/zinc/89/54/92/1422895492.db2.gz ILRDZBURNIQJSK-UHFFFAOYSA-N -1 3 394.258 3.001 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)cc1 ZINC000154548300 1422920742 /nfs/dbraw/zinc/92/07/42/1422920742.db2.gz QILHHZKIIDKIAP-CQSZACIVSA-N -1 3 378.519 3.434 20 0 GGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000154674106 1422996769 /nfs/dbraw/zinc/99/67/69/1422996769.db2.gz XDYTZZURQXMGDF-AWEZNQCLSA-N -1 3 382.851 3.166 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(N4CCC(C)=N4)cc3)nc21 ZINC000154871112 1423062277 /nfs/dbraw/zinc/06/22/77/1423062277.db2.gz SFDXQHQWTPFMLY-UHFFFAOYSA-N -1 3 377.404 3.188 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000154944204 1423087036 /nfs/dbraw/zinc/08/70/36/1423087036.db2.gz YHWNMMLVRHOAMK-GOSISDBHSA-N -1 3 396.821 3.347 20 0 GGADHM O=C([N-]OCCC(F)(F)F)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000154946897 1423088316 /nfs/dbraw/zinc/08/83/16/1423088316.db2.gz YUYTVQIDBOTLQJ-LLVKDONJSA-N -1 3 377.338 3.070 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](COCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000154959820 1423091735 /nfs/dbraw/zinc/09/17/35/1423091735.db2.gz RHDIWAQTGMGVGN-OAQYLSRUSA-N -1 3 391.471 3.004 20 0 GGADHM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000154965474 1423093937 /nfs/dbraw/zinc/09/39/37/1423093937.db2.gz RIUHJTAGYBLTCQ-NRFANRHFSA-N -1 3 380.488 3.192 20 0 GGADHM CCN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000154983540 1423099359 /nfs/dbraw/zinc/09/93/59/1423099359.db2.gz TWRXRILCBXQPEQ-UHFFFAOYSA-N -1 3 395.843 3.266 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2sc(Cc3ccccc3)nc2C)s1 ZINC000155084158 1423152382 /nfs/dbraw/zinc/15/23/82/1423152382.db2.gz ANKASXADONBIEN-UHFFFAOYSA-N -1 3 388.474 3.323 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(N4CCCC4=O)c3)c[n-]c12 ZINC000155124470 1423182663 /nfs/dbraw/zinc/18/26/63/1423182663.db2.gz UKDACDNBSWJKGK-UHFFFAOYSA-N -1 3 379.391 3.355 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCCC4=O)cc3)c[n-]c12 ZINC000155130358 1423187310 /nfs/dbraw/zinc/18/73/10/1423187310.db2.gz VZPOYTCSZPQHNN-UHFFFAOYSA-N -1 3 379.391 3.355 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(C)cc3)n2)cc1 ZINC000179881864 1429622449 /nfs/dbraw/zinc/62/24/49/1429622449.db2.gz WUTCNLSGPOSQBD-LJQANCHMSA-N -1 3 388.427 3.459 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(C)cc3)n2)cc1 ZINC000179881880 1429622478 /nfs/dbraw/zinc/62/24/78/1429622478.db2.gz WUTCNLSGPOSQBD-IBGZPJMESA-N -1 3 388.427 3.459 20 0 GGADHM COCCn1ccc2ccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc21 ZINC000179887966 1429625656 /nfs/dbraw/zinc/62/56/56/1429625656.db2.gz RXTUFJFIMNEMCL-UHFFFAOYSA-N -1 3 392.452 3.248 20 0 GGADHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179895968 1429629280 /nfs/dbraw/zinc/62/92/80/1429629280.db2.gz UUXDHFGBHBDAAI-SNVBAGLBSA-N -1 3 387.976 3.298 20 0 GGADHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179896839 1429629370 /nfs/dbraw/zinc/62/93/70/1429629370.db2.gz JLTHOWQDQQKVKX-UHFFFAOYSA-N -1 3 387.976 3.298 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825218053 1423296191 /nfs/dbraw/zinc/29/61/91/1423296191.db2.gz BEPINEGVFYIECM-CXAGYDPISA-N -1 3 396.520 3.115 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2ncc(-c3ccccc3)o2)[n-]1 ZINC000155301957 1423308247 /nfs/dbraw/zinc/30/82/47/1423308247.db2.gz ZMTLMTJTXPFXJT-AREMUKBSSA-N -1 3 383.351 3.305 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2ncc(-c3ccccc3)o2)[n-]1 ZINC000155302044 1423308550 /nfs/dbraw/zinc/30/85/50/1423308550.db2.gz ZMTLMTJTXPFXJT-SANMLTNESA-N -1 3 383.351 3.305 20 0 GGADHM CCN(Cc1ccccc1)c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000155324504 1423317223 /nfs/dbraw/zinc/31/72/23/1423317223.db2.gz VFZRKHYDFJXYNY-UHFFFAOYSA-N -1 3 397.504 3.168 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2noc(C3CCCCC3)n2)[n-]1 ZINC000155342691 1423325883 /nfs/dbraw/zinc/32/58/83/1423325883.db2.gz AWVFYTJQPDJPTI-AREMUKBSSA-N -1 3 390.387 3.081 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820413640 1423340905 /nfs/dbraw/zinc/34/09/05/1423340905.db2.gz SVWXDRKSQVCJEN-MNOVXSKESA-N -1 3 388.834 3.337 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820413640 1423340914 /nfs/dbraw/zinc/34/09/14/1423340914.db2.gz SVWXDRKSQVCJEN-MNOVXSKESA-N -1 3 388.834 3.337 20 0 GGADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179905644 1429634116 /nfs/dbraw/zinc/63/41/16/1429634116.db2.gz MJDBQQUOVZSKKJ-SNVBAGLBSA-N -1 3 387.976 3.442 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000826282771 1423396898 /nfs/dbraw/zinc/39/68/98/1423396898.db2.gz CCOLEONLZFEMDX-KBPBESRZSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000826282771 1423396905 /nfs/dbraw/zinc/39/69/05/1423396905.db2.gz CCOLEONLZFEMDX-KBPBESRZSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1-c1cccc(Cl)c1 ZINC000179915073 1429638596 /nfs/dbraw/zinc/63/85/96/1429638596.db2.gz WPLFZFBMTKJBOR-HNNXBMFYSA-N -1 3 379.807 3.190 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737890682 1423420480 /nfs/dbraw/zinc/42/04/80/1423420480.db2.gz COVNWQRGYSENCZ-FQEVSTJZSA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737890682 1423420486 /nfs/dbraw/zinc/42/04/86/1423420486.db2.gz COVNWQRGYSENCZ-FQEVSTJZSA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826412306 1423440336 /nfs/dbraw/zinc/44/03/36/1423440336.db2.gz JQDIZMFJKJDJCW-IBGZPJMESA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826412306 1423440340 /nfs/dbraw/zinc/44/03/40/1423440340.db2.gz JQDIZMFJKJDJCW-IBGZPJMESA-N -1 3 376.464 3.326 20 0 GGADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000155609799 1423443448 /nfs/dbraw/zinc/44/34/48/1423443448.db2.gz ATEPNJFMEMHHEH-MRXNPFEDSA-N -1 3 383.492 3.317 20 0 GGADHM CC(C)(C)[C@@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824072193 1423451235 /nfs/dbraw/zinc/45/12/35/1423451235.db2.gz STBYWQBUYLJPGJ-SFHVURJKSA-N -1 3 399.520 3.017 20 0 GGADHM CC(C)(C)[C@@H](NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824072193 1423451236 /nfs/dbraw/zinc/45/12/36/1423451236.db2.gz STBYWQBUYLJPGJ-SFHVURJKSA-N -1 3 399.520 3.017 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824529143 1423461257 /nfs/dbraw/zinc/46/12/57/1423461257.db2.gz FDLHEZMBQNKBDO-KEYYUXOJSA-N -1 3 396.520 3.331 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824529143 1423461260 /nfs/dbraw/zinc/46/12/60/1423461260.db2.gz FDLHEZMBQNKBDO-KEYYUXOJSA-N -1 3 396.520 3.331 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000155721056 1423504827 /nfs/dbraw/zinc/50/48/27/1423504827.db2.gz QNLQWBUAFDLQQD-ZDUSSCGKSA-N -1 3 397.504 3.005 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000155721056 1423504830 /nfs/dbraw/zinc/50/48/30/1423504830.db2.gz QNLQWBUAFDLQQD-ZDUSSCGKSA-N -1 3 397.504 3.005 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)ccc1F ZINC000155848096 1423559168 /nfs/dbraw/zinc/55/91/68/1423559168.db2.gz DFAXNVCMEQSJII-ZDUSSCGKSA-N -1 3 394.468 3.051 20 0 GGADHM CC(C)Oc1ccccc1CS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155962853 1423612457 /nfs/dbraw/zinc/61/24/57/1423612457.db2.gz PUYZMQSFDUVYJK-UHFFFAOYSA-N -1 3 390.383 3.103 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000155975786 1423616253 /nfs/dbraw/zinc/61/62/53/1423616253.db2.gz TUABUPVLLIKMMK-UHFFFAOYSA-N -1 3 377.444 3.428 20 0 GGADHM CCC(CC)[C@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825095129 1423617616 /nfs/dbraw/zinc/61/76/16/1423617616.db2.gz DMOYDWIKYVYCTC-NRFANRHFSA-N -1 3 392.507 3.250 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826412307 1423631460 /nfs/dbraw/zinc/63/14/60/1423631460.db2.gz JQDIZMFJKJDJCW-LJQANCHMSA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826412307 1423631464 /nfs/dbraw/zinc/63/14/64/1423631464.db2.gz JQDIZMFJKJDJCW-LJQANCHMSA-N -1 3 376.464 3.326 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000156019164 1423636775 /nfs/dbraw/zinc/63/67/75/1423636775.db2.gz NJQHWLDLUUHJCT-OAHLLOKOSA-N -1 3 393.443 3.353 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c(=O)[n-]1 ZINC000156023380 1423639007 /nfs/dbraw/zinc/63/90/07/1423639007.db2.gz VCMSXXAPALKOLO-UHFFFAOYSA-N -1 3 375.428 3.189 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c(=O)[n-]1 ZINC000156027225 1423640634 /nfs/dbraw/zinc/64/06/34/1423640634.db2.gz JKFKMWOSFVGJNO-UHFFFAOYSA-N -1 3 394.475 3.066 20 0 GGADHM CC(C)(C)ONC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000156053596 1423652215 /nfs/dbraw/zinc/65/22/15/1423652215.db2.gz ZDGDEAFEAQKUJV-UHFFFAOYSA-N -1 3 380.441 3.015 20 0 GGADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cnc(C(F)(F)F)nc1 ZINC000156063395 1423657336 /nfs/dbraw/zinc/65/73/36/1423657336.db2.gz MBUVFFTZSURLPH-UHFFFAOYSA-N -1 3 383.330 3.329 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)C[C@H]2C)c1-c1nn[n-]n1 ZINC000737201425 1423659871 /nfs/dbraw/zinc/65/98/71/1423659871.db2.gz FAXAFUWMCYUMRG-CHWSQXEVSA-N -1 3 385.516 3.069 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)C[C@H]2C)c1-c1nnn[n-]1 ZINC000737201425 1423659874 /nfs/dbraw/zinc/65/98/74/1423659874.db2.gz FAXAFUWMCYUMRG-CHWSQXEVSA-N -1 3 385.516 3.069 20 0 GGADHM CN(OCc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000156093261 1423669427 /nfs/dbraw/zinc/66/94/27/1423669427.db2.gz AKXNPBSRJGWZLK-UHFFFAOYSA-N -1 3 394.468 3.106 20 0 GGADHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179954939 1429661554 /nfs/dbraw/zinc/66/15/54/1429661554.db2.gz FQRGHFJXNFDBRS-SECBINFHSA-N -1 3 387.976 3.298 20 0 GGADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cnc(C(F)(F)F)nc1 ZINC000156119811 1423680640 /nfs/dbraw/zinc/68/06/40/1423680640.db2.gz HLUCULCBQCGBFB-UHFFFAOYSA-N -1 3 383.330 3.329 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000156205353 1423725381 /nfs/dbraw/zinc/72/53/81/1423725381.db2.gz PYLNGUQXEHXBQC-GOSISDBHSA-N -1 3 394.402 3.008 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000156211400 1423727674 /nfs/dbraw/zinc/72/76/74/1423727674.db2.gz ABFKMIRXONCKNN-OAHLLOKOSA-N -1 3 394.855 3.016 20 0 GGADHM C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156216234 1423730882 /nfs/dbraw/zinc/73/08/82/1423730882.db2.gz SKQCYFYRIIRBOZ-NSHDSACASA-N -1 3 380.416 3.047 20 0 GGADHM Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccc([O-])c(F)c3)C2)c1 ZINC000156224207 1423734908 /nfs/dbraw/zinc/73/49/08/1423734908.db2.gz OYFLNEBQBLPKRZ-MRXNPFEDSA-N -1 3 385.439 3.400 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)[N-]NC(=S)Nc2cccc(C)c2)c1 ZINC000156239414 1423738330 /nfs/dbraw/zinc/73/83/30/1423738330.db2.gz UNIBWAHQZXQHHD-UHFFFAOYSA-N -1 3 376.869 3.238 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000156260859 1423747151 /nfs/dbraw/zinc/74/71/51/1423747151.db2.gz CXLGLERACZMTNF-UHFFFAOYSA-N -1 3 391.342 3.110 20 0 GGADHM O=C(Cc1cc2c(ccc3ccccc23)o1)NCCNC(=O)c1ccc([O-])cc1 ZINC000156263876 1423748459 /nfs/dbraw/zinc/74/84/59/1423748459.db2.gz JVJMMAZCESVNBG-UHFFFAOYSA-N -1 3 388.423 3.380 20 0 GGADHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179971259 1429668273 /nfs/dbraw/zinc/66/82/73/1429668273.db2.gz WTUCGOCVIPGMIE-JTQLQIEISA-N -1 3 385.960 3.052 20 0 GGADHM CCCC1(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCC1 ZINC000179971542 1429668342 /nfs/dbraw/zinc/66/83/42/1429668342.db2.gz HUSZBLBUCWYXFK-UHFFFAOYSA-N -1 3 385.960 3.054 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000156356447 1423794979 /nfs/dbraw/zinc/79/49/79/1423794979.db2.gz KOHBPZIXQSGMIP-AWEZNQCLSA-N -1 3 377.437 3.011 20 0 GGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000156388158 1423803685 /nfs/dbraw/zinc/80/36/85/1423803685.db2.gz VNQSQGCMXGHMJZ-UHFFFAOYSA-N -1 3 378.356 3.100 20 0 GGADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179968485 1429667186 /nfs/dbraw/zinc/66/71/86/1429667186.db2.gz GJBOZSTVDZXPGN-SNVBAGLBSA-N -1 3 387.976 3.442 20 0 GGADHM O=Cc1cccc(OCCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000156519069 1423822381 /nfs/dbraw/zinc/82/23/81/1423822381.db2.gz WLJMXQWWBADEOR-UHFFFAOYSA-N -1 3 378.222 3.053 20 0 GGADHM COc1ccc(C2(C(=O)NCCNC(=O)c3ccc([O-])cc3)CCCCC2)cc1 ZINC000156534501 1423824348 /nfs/dbraw/zinc/82/43/48/1423824348.db2.gz QRNSIJPFKSTWKD-UHFFFAOYSA-N -1 3 396.487 3.149 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000156546553 1423826463 /nfs/dbraw/zinc/82/64/63/1423826463.db2.gz VREJBGXHWAHQGV-INIZCTEOSA-N -1 3 393.212 3.103 20 0 GGADHM O=C(NCCNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1ccc([O-])cc1 ZINC000156569848 1423829768 /nfs/dbraw/zinc/82/97/68/1423829768.db2.gz XPPKRDWOPQNGAV-NRFANRHFSA-N -1 3 390.439 3.059 20 0 GGADHM O=C(NCCNC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1ccc([O-])cc1 ZINC000156569973 1423829870 /nfs/dbraw/zinc/82/98/70/1423829870.db2.gz XPPKRDWOPQNGAV-OAQYLSRUSA-N -1 3 390.439 3.059 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(Cl)nc1 ZINC000156619956 1423836672 /nfs/dbraw/zinc/83/66/72/1423836672.db2.gz JEWKUVAYQBTLDH-UHFFFAOYSA-N -1 3 396.877 3.215 20 0 GGADHM Cc1nc([C@H]([N-]S(=O)(=O)CCc2ccccc2)c2ccc(Cl)cc2)no1 ZINC000179988562 1429677676 /nfs/dbraw/zinc/67/76/76/1429677676.db2.gz FCPITKKWQJVUMA-QGZVFWFLSA-N -1 3 391.880 3.283 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1Cl ZINC000156755428 1423859370 /nfs/dbraw/zinc/85/93/70/1423859370.db2.gz FGZMCMNTWSOSPD-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CCC(C)(C)[C@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000156796610 1423866365 /nfs/dbraw/zinc/86/63/65/1423866365.db2.gz LMVSMLWAHORDGG-GFCCVEGCSA-N -1 3 377.510 3.480 20 0 GGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000156807970 1423868186 /nfs/dbraw/zinc/86/81/86/1423868186.db2.gz MLHRIHFDHYMBJS-HNNXBMFYSA-N -1 3 386.879 3.209 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000156889539 1423881003 /nfs/dbraw/zinc/88/10/03/1423881003.db2.gz RSHCEHPVNSDMGT-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000156889539 1423881005 /nfs/dbraw/zinc/88/10/05/1423881005.db2.gz RSHCEHPVNSDMGT-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cccc(C)c3C)c2)n1 ZINC000156899657 1423882690 /nfs/dbraw/zinc/88/26/90/1423882690.db2.gz JRDHLIWQUPTTIB-UHFFFAOYSA-N -1 3 390.443 3.193 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156937705 1423889745 /nfs/dbraw/zinc/88/97/45/1423889745.db2.gz IJTOMLZEZHVHBP-GFCCVEGCSA-N -1 3 386.427 3.376 20 0 GGADHM O=C(NCc1cccc(C(=O)NCc2ccco2)c1)NCc1ccc([O-])c(F)c1 ZINC000157011479 1423902368 /nfs/dbraw/zinc/90/23/68/1423902368.db2.gz SMLASIDPOKGLGI-UHFFFAOYSA-N -1 3 397.406 3.054 20 0 GGADHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000157082554 1423920975 /nfs/dbraw/zinc/92/09/75/1423920975.db2.gz OKEHZVGCHMPQLE-QGZVFWFLSA-N -1 3 388.265 3.075 20 0 GGADHM CCCC1(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCC1 ZINC000157142655 1423935361 /nfs/dbraw/zinc/93/53/61/1423935361.db2.gz IBGCYKGKMIHSLO-UHFFFAOYSA-N -1 3 386.464 3.106 20 0 GGADHM O=C(NCCc1nnc2n1CCCCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157173284 1423945017 /nfs/dbraw/zinc/94/50/17/1423945017.db2.gz BLBMBJQZGTVRPA-UHFFFAOYSA-N -1 3 392.459 3.475 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1C ZINC000157179266 1423946941 /nfs/dbraw/zinc/94/69/41/1423946941.db2.gz KGTBQUBVTKRWFT-UHFFFAOYSA-N -1 3 379.453 3.220 20 0 GGADHM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000157235835 1423962522 /nfs/dbraw/zinc/96/25/22/1423962522.db2.gz VEFUTWBGOXINNU-FCHUYYIVSA-N -1 3 395.499 3.375 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000157252158 1423967087 /nfs/dbraw/zinc/96/70/87/1423967087.db2.gz DRWLHQAPBXVMHG-UHFFFAOYSA-N -1 3 391.346 3.444 20 0 GGADHM O=C(NCc1cccc(NC(=O)c2ccncc2)c1)NCc1ccc([O-])c(F)c1 ZINC000157293283 1423977075 /nfs/dbraw/zinc/97/70/75/1423977075.db2.gz AKEJGEHSCCWZRK-UHFFFAOYSA-N -1 3 394.406 3.178 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820642366 1423991110 /nfs/dbraw/zinc/99/11/10/1423991110.db2.gz IDBYMGNOTBQDFX-RDTXWAMCSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642366 1423991113 /nfs/dbraw/zinc/99/11/13/1423991113.db2.gz IDBYMGNOTBQDFX-RDTXWAMCSA-N -1 3 387.447 3.295 20 0 GGADHM c1sc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1-c1nnn[n-]1 ZINC000826519148 1423992668 /nfs/dbraw/zinc/99/26/68/1423992668.db2.gz MBISITNDPQSNPU-UHFFFAOYSA-N -1 3 392.492 3.093 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1 ZINC000157488237 1424022449 /nfs/dbraw/zinc/02/24/49/1424022449.db2.gz IXVPZJFVENSEIF-ZBFHGGJFSA-N -1 3 377.437 3.227 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1 ZINC000157488533 1424022594 /nfs/dbraw/zinc/02/25/94/1424022594.db2.gz IXVPZJFVENSEIF-HOCLYGCPSA-N -1 3 377.437 3.227 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000157488383 1424022717 /nfs/dbraw/zinc/02/27/17/1424022717.db2.gz IXVPZJFVENSEIF-GOEBONIOSA-N -1 3 377.437 3.227 20 0 GGADHM CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1OCC ZINC000157533090 1424031463 /nfs/dbraw/zinc/03/14/63/1424031463.db2.gz VACMPBCQMIFOIJ-UHFFFAOYSA-N -1 3 384.476 3.148 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ncc(-c3ccccc3)s2)CC1 ZINC000157531736 1424031629 /nfs/dbraw/zinc/03/16/29/1424031629.db2.gz XEILMXWTEDOWNK-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM C[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824570632 1424048275 /nfs/dbraw/zinc/04/82/75/1424048275.db2.gz NVPRIPDMIRMWLK-QFYYESIMSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824570632 1424048280 /nfs/dbraw/zinc/04/82/80/1424048280.db2.gz NVPRIPDMIRMWLK-QFYYESIMSA-N -1 3 395.360 3.409 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000735736211 1424066948 /nfs/dbraw/zinc/06/69/48/1424066948.db2.gz WWIIYUNWLPYBPJ-GOSISDBHSA-N -1 3 384.871 3.446 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000735736211 1424066960 /nfs/dbraw/zinc/06/69/60/1424066960.db2.gz WWIIYUNWLPYBPJ-GOSISDBHSA-N -1 3 384.871 3.446 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)c1cccc(F)c1 ZINC000157717457 1424072985 /nfs/dbraw/zinc/07/29/85/1424072985.db2.gz LCNIGKLXDULMID-UHFFFAOYSA-N -1 3 383.416 3.008 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)nc4c3cnn4C(C)C)nc21 ZINC000157764392 1424083133 /nfs/dbraw/zinc/08/31/33/1424083133.db2.gz AGMGPCHVIKIOAR-UHFFFAOYSA-N -1 3 392.419 3.236 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccccc4)c3C)nc21 ZINC000157775737 1424085314 /nfs/dbraw/zinc/08/53/14/1424085314.db2.gz QTDQAJWAZIBTJD-UHFFFAOYSA-N -1 3 375.388 3.096 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c(Cl)nc3Cl)nc21 ZINC000157790328 1424089075 /nfs/dbraw/zinc/08/90/75/1424089075.db2.gz ICVCTSYWSHSWGD-UHFFFAOYSA-N -1 3 383.166 3.443 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000157792739 1424089152 /nfs/dbraw/zinc/08/91/52/1424089152.db2.gz CWHKLJFPGIPELG-DOTOQJQBSA-N -1 3 391.464 3.302 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccccc4F)c3C)nc21 ZINC000157794801 1424089716 /nfs/dbraw/zinc/08/97/16/1424089716.db2.gz YGKLLABSYWNGHC-UHFFFAOYSA-N -1 3 393.378 3.235 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3coc(-c4ccccc4)n3)nc21 ZINC000157801889 1424091719 /nfs/dbraw/zinc/09/17/19/1424091719.db2.gz WXLNIPHAESENBB-UHFFFAOYSA-N -1 3 376.372 3.186 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@]4(CCc5ccccc54)C3)nc2)n1 ZINC000157857127 1424105347 /nfs/dbraw/zinc/10/53/47/1424105347.db2.gz RWIVTNPQWJYWGU-HSZRJFAPSA-N -1 3 388.471 3.073 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@H](CC)C3)c2)n1 ZINC000157875922 1424109771 /nfs/dbraw/zinc/10/97/71/1424109771.db2.gz CLWRYFNIEOKTNN-WMLDXEAASA-N -1 3 396.491 3.023 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)SC ZINC000157906810 1424116695 /nfs/dbraw/zinc/11/66/95/1424116695.db2.gz VXGOVZIQHMUCNX-ZETCQYMHSA-N -1 3 388.736 3.141 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1CC ZINC000158055706 1424150525 /nfs/dbraw/zinc/15/05/25/1424150525.db2.gz LQNKIZSLVVSQFT-UHFFFAOYSA-N -1 3 389.521 3.112 20 0 GGADHM C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824617380 1424162832 /nfs/dbraw/zinc/16/28/32/1424162832.db2.gz HFUADJXLJDAMOL-CYBMUJFWSA-N -1 3 382.493 3.491 20 0 GGADHM C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824617380 1424162836 /nfs/dbraw/zinc/16/28/36/1424162836.db2.gz HFUADJXLJDAMOL-CYBMUJFWSA-N -1 3 382.493 3.491 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)c[n-]c12 ZINC000158098541 1424167371 /nfs/dbraw/zinc/16/73/71/1424167371.db2.gz YSWKWZHTPKEJSE-UHFFFAOYSA-N -1 3 385.370 3.069 20 0 GGADHM CCc1cc2c(CN3CCOC[C@H]3CC(=O)c3ccco3)cc(=O)oc2cc1[O-] ZINC000158138397 1424177106 /nfs/dbraw/zinc/17/71/06/1424177106.db2.gz RYXJTFXPBWXEOX-MRXNPFEDSA-N -1 3 397.427 3.128 20 0 GGADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000158186320 1424189201 /nfs/dbraw/zinc/18/92/01/1424189201.db2.gz URAAZPVHSGSHLN-UHFFFAOYSA-N -1 3 390.505 3.323 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCN(C(=O)C2CC2)CC1 ZINC000158215447 1424198133 /nfs/dbraw/zinc/19/81/33/1424198133.db2.gz BXORHPMKUZQUCM-UHFFFAOYSA-N -1 3 392.499 3.262 20 0 GGADHM O=S(=O)(Cc1noc(C2CCCCC2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000158237317 1424203477 /nfs/dbraw/zinc/20/34/77/1424203477.db2.gz AZTPMXAKZCMWHA-UHFFFAOYSA-N -1 3 393.513 3.332 20 0 GGADHM O=S(=O)(Cc1noc(C2CCCCC2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000158237317 1424203482 /nfs/dbraw/zinc/20/34/82/1424203482.db2.gz AZTPMXAKZCMWHA-UHFFFAOYSA-N -1 3 393.513 3.332 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000180042381 1429710078 /nfs/dbraw/zinc/71/00/78/1429710078.db2.gz VUMHYJNXJOESJD-GHMZBOCLSA-N -1 3 383.286 3.291 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOCCc3ccccc3)nc21 ZINC000158402782 1424245737 /nfs/dbraw/zinc/24/57/37/1424245737.db2.gz DICOZNCRPLYXQR-UHFFFAOYSA-N -1 3 381.432 3.328 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(C)c(OC)c4)CC3)nc21 ZINC000158404279 1424246676 /nfs/dbraw/zinc/24/66/76/1424246676.db2.gz QMSVCOFJKYQPAA-UHFFFAOYSA-N -1 3 379.416 3.337 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3OC(F)F)nc21 ZINC000158414720 1424248359 /nfs/dbraw/zinc/24/83/59/1424248359.db2.gz DTPJUAMVYAWQHF-UHFFFAOYSA-N -1 3 375.331 3.132 20 0 GGADHM CCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1-c1ccccc1 ZINC000158418522 1424249926 /nfs/dbraw/zinc/24/99/26/1424249926.db2.gz DWMPOWYJSWGDTR-UHFFFAOYSA-N -1 3 389.415 3.350 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000736899443 1424250322 /nfs/dbraw/zinc/25/03/22/1424250322.db2.gz AFDQPRQBPPECOS-BPAFIMBUSA-N -1 3 391.475 3.267 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cccc(F)c4)CCOCC3)nc21 ZINC000158432339 1424252841 /nfs/dbraw/zinc/25/28/41/1424252841.db2.gz ZVJWCRLIZZGNJZ-UHFFFAOYSA-N -1 3 397.406 3.176 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)nc21 ZINC000158435366 1424253691 /nfs/dbraw/zinc/25/36/91/1424253691.db2.gz IJPRWFVVZSCBAS-UHFFFAOYSA-N -1 3 388.383 3.161 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(N4CCC(C)CC4)nc3)nc21 ZINC000158449602 1424257381 /nfs/dbraw/zinc/25/73/81/1424257381.db2.gz OMUSEVNAFKOZDK-UHFFFAOYSA-N -1 3 393.447 3.233 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccccc4C)c3C)nc21 ZINC000158455305 1424260037 /nfs/dbraw/zinc/26/00/37/1424260037.db2.gz DSAFKVOPOPPGSR-UHFFFAOYSA-N -1 3 389.415 3.404 20 0 GGADHM O=C(Nc1ccncc1)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000158511373 1424276386 /nfs/dbraw/zinc/27/63/86/1424276386.db2.gz HZGGXUPMONMGAR-CPNJWEJPSA-N -1 3 384.395 3.057 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCO[C@]4(CCc5ccccc54)C3)cc(=O)oc12 ZINC000158600169 1424299186 /nfs/dbraw/zinc/29/91/86/1424299186.db2.gz JAPCVIGUVPTCCO-HSZRJFAPSA-N -1 3 377.440 3.481 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3F)cc12 ZINC000158720116 1424326690 /nfs/dbraw/zinc/32/66/90/1424326690.db2.gz QOBZOCANERCPRH-UHFFFAOYSA-N -1 3 378.429 3.004 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000158728178 1424328197 /nfs/dbraw/zinc/32/81/97/1424328197.db2.gz CTMDVYFOEKJBQK-HNNXBMFYSA-N -1 3 396.534 3.268 20 0 GGADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2cccnc2)no1 ZINC000158818297 1424350045 /nfs/dbraw/zinc/35/00/45/1424350045.db2.gz MVBPJSRZYVVSFH-MRXNPFEDSA-N -1 3 385.399 3.173 20 0 GGADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2cccnc2)no1 ZINC000158818178 1424350422 /nfs/dbraw/zinc/35/04/22/1424350422.db2.gz MVBPJSRZYVVSFH-INIZCTEOSA-N -1 3 385.399 3.173 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(F)c(I)c(F)c1 ZINC000158943153 1424378729 /nfs/dbraw/zinc/37/87/29/1424378729.db2.gz WLKQXGAXPMQXBA-JTQLQIEISA-N -1 3 398.147 3.149 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(F)c(I)c(F)c1 ZINC000158943153 1424378733 /nfs/dbraw/zinc/37/87/33/1424378733.db2.gz WLKQXGAXPMQXBA-JTQLQIEISA-N -1 3 398.147 3.149 20 0 GGADHM CC(C)(CCc1ccccc1)NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819981207 1424387893 /nfs/dbraw/zinc/38/78/93/1424387893.db2.gz QYAIUMKNGROMNT-UHFFFAOYSA-N -1 3 389.463 3.418 20 0 GGADHM CC(C)(CCc1ccccc1)NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819981207 1424387897 /nfs/dbraw/zinc/38/78/97/1424387897.db2.gz QYAIUMKNGROMNT-UHFFFAOYSA-N -1 3 389.463 3.418 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC000159300887 1424477899 /nfs/dbraw/zinc/47/78/99/1424477899.db2.gz HSAQBHFQUDYXMC-GFCCVEGCSA-N -1 3 381.668 3.054 20 0 GGADHM CCCCOC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000159329032 1424486869 /nfs/dbraw/zinc/48/68/69/1424486869.db2.gz CLDHOYMNTCORBK-ZDUSSCGKSA-N -1 3 382.888 3.428 20 0 GGADHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000159426815 1424501283 /nfs/dbraw/zinc/50/12/83/1424501283.db2.gz UXNVPHLVRNVLRR-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000159494791 1424507350 /nfs/dbraw/zinc/50/73/50/1424507350.db2.gz MXAGDQTYHOJMSU-CQSZACIVSA-N -1 3 376.261 3.014 20 0 GGADHM CCC(C)(C)NC(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825044741 1429734719 /nfs/dbraw/zinc/73/47/19/1429734719.db2.gz TXGRIFVZHQVVIN-HNNXBMFYSA-N -1 3 392.507 3.489 20 0 GGADHM O=S(=O)(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1nc(C2CC2)n[n-]1 ZINC000160004056 1424561795 /nfs/dbraw/zinc/56/17/95/1424561795.db2.gz CUCDNGMITLRLBI-UHFFFAOYSA-N -1 3 398.366 3.330 20 0 GGADHM O=S(=O)(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1nnc(C2CC2)[n-]1 ZINC000160004056 1424561810 /nfs/dbraw/zinc/56/18/10/1424561810.db2.gz CUCDNGMITLRLBI-UHFFFAOYSA-N -1 3 398.366 3.330 20 0 GGADHM C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824619637 1424565955 /nfs/dbraw/zinc/56/59/55/1424565955.db2.gz XUFKJUXCPRUEAA-LLVKDONJSA-N -1 3 378.358 3.054 20 0 GGADHM C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824619637 1424565956 /nfs/dbraw/zinc/56/59/56/1424565956.db2.gz XUFKJUXCPRUEAA-LLVKDONJSA-N -1 3 378.358 3.054 20 0 GGADHM CNc1nc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)cs1 ZINC000160106151 1424574112 /nfs/dbraw/zinc/57/41/12/1424574112.db2.gz ZJRQKZDVQJRAAU-UHFFFAOYSA-N -1 3 388.503 3.453 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n[n-]2)o1 ZINC000160368642 1424599565 /nfs/dbraw/zinc/59/95/65/1424599565.db2.gz VWMJNBDIUSXCGV-CHWSQXEVSA-N -1 3 389.456 3.395 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3sccc32)ccc1F ZINC000160483135 1424607490 /nfs/dbraw/zinc/60/74/90/1424607490.db2.gz OGAAQNJAMLGHNS-HNNXBMFYSA-N -1 3 396.509 3.381 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC2(CCC2)C1 ZINC000180108541 1429741197 /nfs/dbraw/zinc/74/11/97/1429741197.db2.gz LNMDWKMITNLGDE-HXUWFJFHSA-N -1 3 394.471 3.035 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000161582724 1424717178 /nfs/dbraw/zinc/71/71/78/1424717178.db2.gz KQGIJFDNSWSUKL-AWEZNQCLSA-N -1 3 395.349 3.304 20 0 GGADHM CCCN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825307916 1424745684 /nfs/dbraw/zinc/74/56/84/1424745684.db2.gz RBUAHBSAFPKOJV-GFCCVEGCSA-N -1 3 376.530 3.256 20 0 GGADHM CCCN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825307916 1424745691 /nfs/dbraw/zinc/74/56/91/1424745691.db2.gz RBUAHBSAFPKOJV-GFCCVEGCSA-N -1 3 376.530 3.256 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3N3CCCC3=O)c[n-]c12 ZINC000161712037 1424748259 /nfs/dbraw/zinc/74/82/59/1424748259.db2.gz SATDVFHYJZTYAK-UHFFFAOYSA-N -1 3 379.391 3.355 20 0 GGADHM CN(Cc1cccc(C(=O)OC(C)(C)C)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825976746 1424768178 /nfs/dbraw/zinc/76/81/78/1424768178.db2.gz OXDYPMLYULJDGD-UHFFFAOYSA-N -1 3 379.464 3.454 20 0 GGADHM CN(Cc1cccc(C(=O)OC(C)(C)C)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825976746 1424768179 /nfs/dbraw/zinc/76/81/79/1424768179.db2.gz OXDYPMLYULJDGD-UHFFFAOYSA-N -1 3 379.464 3.454 20 0 GGADHM COc1cccc(CN2CCC(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c1 ZINC000737131951 1424777007 /nfs/dbraw/zinc/77/70/07/1424777007.db2.gz SBTOQMKFFNPUDZ-UHFFFAOYSA-N -1 3 399.886 3.000 20 0 GGADHM COc1cccc(CN2CCC(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)c1 ZINC000737131951 1424777010 /nfs/dbraw/zinc/77/70/10/1424777010.db2.gz SBTOQMKFFNPUDZ-UHFFFAOYSA-N -1 3 399.886 3.000 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1)c1ccc(Br)cc1F ZINC000161946639 1424801459 /nfs/dbraw/zinc/80/14/59/1424801459.db2.gz PUTMTZRQNKNRBR-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM CC1(C)C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000162140161 1424819647 /nfs/dbraw/zinc/81/96/47/1424819647.db2.gz GBUSMIRBTWQHBM-ICSRJNTNSA-N -1 3 396.487 3.327 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000162230781 1424829206 /nfs/dbraw/zinc/82/92/06/1424829206.db2.gz ZBIMHGWCYPAUOR-AWEZNQCLSA-N -1 3 396.509 3.035 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@]1(O)CCc2ccccc21 ZINC000162229457 1424829263 /nfs/dbraw/zinc/82/92/63/1424829263.db2.gz PIKYBIKBOSZQBO-QGZVFWFLSA-N -1 3 386.300 3.247 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(-c4ccccc4)nc3C)nc21 ZINC000162461683 1424855088 /nfs/dbraw/zinc/85/50/88/1424855088.db2.gz HXODUYSYGMJGNA-UHFFFAOYSA-N -1 3 387.399 3.367 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4ccc(F)cc4)on3)nc21 ZINC000162477375 1424856964 /nfs/dbraw/zinc/85/69/64/1424856964.db2.gz DZCMCZUBNJQVHR-UHFFFAOYSA-N -1 3 380.335 3.396 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn(-c4ccccc4)nc3C)nc21 ZINC000162500083 1424858934 /nfs/dbraw/zinc/85/89/34/1424858934.db2.gz VZRMWQYMSNNNLZ-UHFFFAOYSA-N -1 3 375.388 3.096 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccccc4C)c3)nc21 ZINC000162524065 1424861626 /nfs/dbraw/zinc/86/16/26/1424861626.db2.gz HOAZNDJCPZLSLS-UHFFFAOYSA-N -1 3 375.388 3.096 20 0 GGADHM O=C(Nc1nccc2sccc21)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000162645330 1424875027 /nfs/dbraw/zinc/87/50/27/1424875027.db2.gz VNCQBEPWBWCVJY-UHFFFAOYSA-N -1 3 391.449 3.128 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000162660794 1424876040 /nfs/dbraw/zinc/87/60/40/1424876040.db2.gz MBAZAJSXVSDJFN-FQEVSTJZSA-N -1 3 390.487 3.321 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc(OC)c1[O-] ZINC000162659659 1424876306 /nfs/dbraw/zinc/87/63/06/1424876306.db2.gz RMHBIQSJPSEBBM-AWEZNQCLSA-N -1 3 395.459 3.265 20 0 GGADHM COc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1[O-] ZINC000162820526 1424893359 /nfs/dbraw/zinc/89/33/59/1424893359.db2.gz SZLVLCIVQBOJQR-UHFFFAOYSA-N -1 3 376.840 3.025 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCCOc1ccccc1C(F)(F)F ZINC000822744190 1424930629 /nfs/dbraw/zinc/93/06/29/1424930629.db2.gz OBGMIJSIKFHKBM-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCCOc1ccccc1C(F)(F)F ZINC000822744190 1424930630 /nfs/dbraw/zinc/93/06/30/1424930630.db2.gz OBGMIJSIKFHKBM-UHFFFAOYSA-N -1 3 381.333 3.193 20 0 GGADHM Cc1c([C@@H](C)NCc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccc(F)cc1 ZINC000822021374 1424932873 /nfs/dbraw/zinc/93/28/73/1424932873.db2.gz YSVKETRSXJCNDX-LLVKDONJSA-N -1 3 383.456 3.412 20 0 GGADHM CS(=O)(=O)Nc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1 ZINC000163151825 1424950031 /nfs/dbraw/zinc/95/00/31/1424950031.db2.gz HWZSIGDVRFZKJZ-UHFFFAOYSA-N -1 3 398.473 3.263 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000163162539 1424951518 /nfs/dbraw/zinc/95/15/18/1424951518.db2.gz JVAXBQIMNOCTSN-ZDUSSCGKSA-N -1 3 394.500 3.278 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC1CCN(CCC(F)(F)F)CC1 ZINC000825626312 1424958133 /nfs/dbraw/zinc/95/81/33/1424958133.db2.gz JTHBGCYWUPZWKP-UHFFFAOYSA-N -1 3 384.406 3.094 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000163392809 1424990019 /nfs/dbraw/zinc/99/00/19/1424990019.db2.gz JKVOXGUOIGTCFP-OAHLLOKOSA-N -1 3 395.349 3.137 20 0 GGADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000163660959 1425030373 /nfs/dbraw/zinc/03/03/73/1425030373.db2.gz KKACZXDUQUKONI-INIZCTEOSA-N -1 3 391.830 3.132 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000163678780 1425033074 /nfs/dbraw/zinc/03/30/74/1425033074.db2.gz BOTJCBJGZHOCKS-IBGZPJMESA-N -1 3 376.403 3.326 20 0 GGADHM O=C(NC1CC1)c1ccc(CN(C(=O)NCc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000163757702 1425041129 /nfs/dbraw/zinc/04/11/29/1425041129.db2.gz CHHVLWVKTJLKFJ-UHFFFAOYSA-N -1 3 397.450 3.298 20 0 GGADHM COc1ccccc1[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000163931055 1425059506 /nfs/dbraw/zinc/05/95/06/1425059506.db2.gz UQEPRBFXVBDAAW-NRFANRHFSA-N -1 3 378.428 3.271 20 0 GGADHM Cc1ccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000163967861 1425063883 /nfs/dbraw/zinc/06/38/83/1425063883.db2.gz IUVSCCSFVLVWDK-UHFFFAOYSA-N -1 3 376.478 3.473 20 0 GGADHM CC(C)n1nccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000164002281 1425067544 /nfs/dbraw/zinc/06/75/44/1425067544.db2.gz WDPHHRKKCZZXEB-UHFFFAOYSA-N -1 3 390.387 3.107 20 0 GGADHM COc1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000821817929 1425082303 /nfs/dbraw/zinc/08/23/03/1425082303.db2.gz COBBUEQHTAJOAZ-UHFFFAOYSA-N -1 3 393.369 3.106 20 0 GGADHM Cc1nn2c(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)c(C(C)C)nc2s1 ZINC000826334738 1425118107 /nfs/dbraw/zinc/11/81/07/1425118107.db2.gz HUZGWJGYWYXRBW-LLVKDONJSA-N -1 3 382.497 3.254 20 0 GGADHM Cc1ccc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000164603628 1425128453 /nfs/dbraw/zinc/12/84/53/1425128453.db2.gz WSKJQURYDUVVFB-UHFFFAOYSA-N -1 3 380.231 3.010 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737319734 1425150796 /nfs/dbraw/zinc/15/07/96/1425150796.db2.gz GPTZKRLGUFCVTJ-CHWSQXEVSA-N -1 3 396.520 3.403 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737319734 1425150805 /nfs/dbraw/zinc/15/08/05/1425150805.db2.gz GPTZKRLGUFCVTJ-CHWSQXEVSA-N -1 3 396.520 3.403 20 0 GGADHM Cc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822229679 1425156856 /nfs/dbraw/zinc/15/68/56/1425156856.db2.gz ZESPGMMZCBWHIR-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822229679 1425156866 /nfs/dbraw/zinc/15/68/66/1425156866.db2.gz ZESPGMMZCBWHIR-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825328887 1425173830 /nfs/dbraw/zinc/17/38/30/1425173830.db2.gz YECBFDNBODEBMG-LSDHHAIUSA-N -1 3 378.480 3.099 20 0 GGADHM CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825328887 1425173874 /nfs/dbraw/zinc/17/38/74/1425173874.db2.gz YECBFDNBODEBMG-LSDHHAIUSA-N -1 3 378.480 3.099 20 0 GGADHM O=C([N-]n1cnc2ccccc2c1=O)c1cc(-c2ccccn2)ccc1Cl ZINC000165404740 1425178294 /nfs/dbraw/zinc/17/82/94/1425178294.db2.gz DIJBMKUEURZXMA-UHFFFAOYSA-N -1 3 376.803 3.496 20 0 GGADHM Cc1ccc(C(=O)[N-]n2c(C)nc3sccc3c2=O)c(Br)c1 ZINC000165426304 1425178686 /nfs/dbraw/zinc/17/86/86/1425178686.db2.gz UQEJJECDFDDBAY-UHFFFAOYSA-N -1 3 378.251 3.221 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000167315880 1425224944 /nfs/dbraw/zinc/22/49/44/1425224944.db2.gz PRXZVPFJWHWVTI-DFBGVHRSSA-N -1 3 393.402 3.471 20 0 GGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1C(F)(F)F ZINC000169869430 1425260506 /nfs/dbraw/zinc/26/05/06/1425260506.db2.gz MPSCBUVRLLMQSW-UHFFFAOYSA-N -1 3 392.377 3.446 20 0 GGADHM C[S@@](=O)Cc1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000170600698 1425264961 /nfs/dbraw/zinc/26/49/61/1425264961.db2.gz VWFIEHOMNAPDDT-AREMUKBSSA-N -1 3 376.384 3.349 20 0 GGADHM CC(C)c1ccc([C@H](C)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000735925102 1425272902 /nfs/dbraw/zinc/27/29/02/1425272902.db2.gz XYHGFQOYRNCDPY-YWZLYKJASA-N -1 3 390.491 3.446 20 0 GGADHM CC(C)c1ccc([C@H](C)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000735925102 1425272906 /nfs/dbraw/zinc/27/29/06/1425272906.db2.gz XYHGFQOYRNCDPY-YWZLYKJASA-N -1 3 390.491 3.446 20 0 GGADHM COc1cc([C@H](C)NCc2ccnc(-c3nnn[n-]3)c2)ccc1OC1CCCC1 ZINC000826177733 1425278783 /nfs/dbraw/zinc/27/87/83/1425278783.db2.gz SKJHVVXJAFRVBX-AWEZNQCLSA-N -1 3 394.479 3.443 20 0 GGADHM COc1cc([C@H](C)NCc2ccnc(-c3nn[n-]n3)c2)ccc1OC1CCCC1 ZINC000826177733 1425278790 /nfs/dbraw/zinc/27/87/90/1425278790.db2.gz SKJHVVXJAFRVBX-AWEZNQCLSA-N -1 3 394.479 3.443 20 0 GGADHM C[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824578293 1425300964 /nfs/dbraw/zinc/30/09/64/1425300964.db2.gz SBGGZHDDNGXNBO-YVEFUNNKSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578293 1425300969 /nfs/dbraw/zinc/30/09/69/1425300969.db2.gz SBGGZHDDNGXNBO-YVEFUNNKSA-N -1 3 382.855 3.364 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCOC2)cc1 ZINC000170795254 1425345365 /nfs/dbraw/zinc/34/53/65/1425345365.db2.gz HKFJODLGWJBGBB-MRXNPFEDSA-N -1 3 388.489 3.469 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NCc2csc(-c3ccccc3)n2)c([O-])c1 ZINC000170828846 1425359003 /nfs/dbraw/zinc/35/90/03/1425359003.db2.gz QTIRABAQLRGCJY-UHFFFAOYSA-N -1 3 395.484 3.260 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2ccccc2)CC1)c1cc(F)c(F)cc1F ZINC000170939789 1425402525 /nfs/dbraw/zinc/40/25/25/1425402525.db2.gz QAXQIOZHCPSPTJ-UHFFFAOYSA-N -1 3 398.450 3.089 20 0 GGADHM CN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1 ZINC000825966113 1425413314 /nfs/dbraw/zinc/41/33/14/1425413314.db2.gz OLTYVGLZBBRQFM-UHFFFAOYSA-N -1 3 377.427 3.038 20 0 GGADHM O=C([N-]c1nc2c(s1)CCCC2)c1sccc1S(=O)(=O)C(F)F ZINC000170986723 1425424792 /nfs/dbraw/zinc/42/47/92/1425424792.db2.gz DYBWVXHMJBZCKZ-UHFFFAOYSA-N -1 3 378.447 3.332 20 0 GGADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000171043600 1425452068 /nfs/dbraw/zinc/45/20/68/1425452068.db2.gz BBRXVFPUNZVSKE-UHFFFAOYSA-N -1 3 380.322 3.489 20 0 GGADHM CC[C@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC000825139361 1425472956 /nfs/dbraw/zinc/47/29/56/1425472956.db2.gz FECLWPWTTAWRDF-OALUTQOASA-N -1 3 376.464 3.103 20 0 GGADHM CC[C@H](N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000825139361 1425472961 /nfs/dbraw/zinc/47/29/61/1425472961.db2.gz FECLWPWTTAWRDF-OALUTQOASA-N -1 3 376.464 3.103 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CC2)c(Cl)cc1Cl ZINC000171116773 1425491092 /nfs/dbraw/zinc/49/10/92/1425491092.db2.gz KCJBAZFZPQBIBN-UHFFFAOYSA-N -1 3 379.309 3.162 20 0 GGADHM CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1)CC1CC1 ZINC000736510760 1425523662 /nfs/dbraw/zinc/52/36/62/1425523662.db2.gz JPSQPLLZYJHQGF-UHFFFAOYSA-N -1 3 399.543 3.461 20 0 GGADHM CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1)CC1CC1 ZINC000736510760 1425523666 /nfs/dbraw/zinc/52/36/66/1425523666.db2.gz JPSQPLLZYJHQGF-UHFFFAOYSA-N -1 3 399.543 3.461 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCC1c1nc2ccccc2[nH]1 ZINC000738162014 1425569564 /nfs/dbraw/zinc/56/95/64/1425569564.db2.gz IIMHXBHCBZZRDO-INIZCTEOSA-N -1 3 392.398 3.251 20 0 GGADHM c1ccc(-c2cccc(CN3CCN(c4ccccc4-c4nn[n-]n4)CC3)c2)nc1 ZINC000826519347 1425570504 /nfs/dbraw/zinc/57/05/04/1425570504.db2.gz VHGHQZSIRAJVLJ-UHFFFAOYSA-N -1 3 397.486 3.251 20 0 GGADHM c1ccc(-c2cccc(CN3CCN(c4ccccc4-c4nnn[n-]4)CC3)c2)nc1 ZINC000826519347 1425570509 /nfs/dbraw/zinc/57/05/09/1425570509.db2.gz VHGHQZSIRAJVLJ-UHFFFAOYSA-N -1 3 397.486 3.251 20 0 GGADHM CC[C@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000825044102 1425573801 /nfs/dbraw/zinc/57/38/01/1425573801.db2.gz OAJMXJNSBBGRBG-IBGZPJMESA-N -1 3 384.871 3.374 20 0 GGADHM CC[C@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000825044102 1425573810 /nfs/dbraw/zinc/57/38/10/1425573810.db2.gz OAJMXJNSBBGRBG-IBGZPJMESA-N -1 3 384.871 3.374 20 0 GGADHM O=C(Cc1cc2c(cc1Br)OCCO2)[N-]OCc1ccccc1 ZINC000171273529 1425587913 /nfs/dbraw/zinc/58/79/13/1425587913.db2.gz QRKFMGQDSZFFOI-UHFFFAOYSA-N -1 3 378.222 3.011 20 0 GGADHM COc1cccc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000171398454 1425661218 /nfs/dbraw/zinc/66/12/18/1425661218.db2.gz WJKGXUAIHUILPZ-IBGZPJMESA-N -1 3 382.460 3.193 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCSc3ccc(F)cc32)c([O-])c1 ZINC000171398060 1425661599 /nfs/dbraw/zinc/66/15/99/1425661599.db2.gz YMSNYVJMCVJURU-INIZCTEOSA-N -1 3 388.464 3.313 20 0 GGADHM COc1cccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000171398448 1425661765 /nfs/dbraw/zinc/66/17/65/1425661765.db2.gz WJKGXUAIHUILPZ-LJQANCHMSA-N -1 3 382.460 3.193 20 0 GGADHM Cc1ncc(-c2ccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc2)o1 ZINC000171399021 1425662434 /nfs/dbraw/zinc/66/24/34/1425662434.db2.gz DZOMXOHQFCETGI-UHFFFAOYSA-N -1 3 379.416 3.423 20 0 GGADHM CCCn1ccc2cc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)ccc21 ZINC000171405503 1425665759 /nfs/dbraw/zinc/66/57/59/1425665759.db2.gz KJDWHJKVOQPQFP-UHFFFAOYSA-N -1 3 380.448 3.308 20 0 GGADHM Cc1cc([C@H](C)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)s1 ZINC000826261463 1425667721 /nfs/dbraw/zinc/66/77/21/1425667721.db2.gz GGLCKAHHVIVFSZ-YVEFUNNKSA-N -1 3 382.493 3.001 20 0 GGADHM C[C@@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Cl)NC(=O)OC(C)(C)C ZINC000171424959 1425672006 /nfs/dbraw/zinc/67/20/06/1425672006.db2.gz MXXASBVYEMMNNV-JTQLQIEISA-N -1 3 380.869 3.061 20 0 GGADHM CC(C)[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824554312 1425724345 /nfs/dbraw/zinc/72/43/45/1425724345.db2.gz OOWTZFGYNXXWCC-CVEARBPZSA-N -1 3 392.507 3.345 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000819876655 1425792978 /nfs/dbraw/zinc/79/29/78/1425792978.db2.gz IEUJFUBNJZIEJC-SPYBWZPUSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000819876655 1425792989 /nfs/dbraw/zinc/79/29/89/1425792989.db2.gz IEUJFUBNJZIEJC-SPYBWZPUSA-N -1 3 376.464 3.072 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(Cc2ccccc2Cl)no1 ZINC000171797829 1425823161 /nfs/dbraw/zinc/82/31/61/1425823161.db2.gz LKNWJDAVDOVCNH-UHFFFAOYSA-N -1 3 393.834 3.358 20 0 GGADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)c1cccs1 ZINC000171859235 1425836853 /nfs/dbraw/zinc/83/68/53/1425836853.db2.gz XFDRIPJBFWMVGM-LLVKDONJSA-N -1 3 395.440 3.133 20 0 GGADHM O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1n[n-]c2ccccc2c1=O ZINC000171860990 1425837105 /nfs/dbraw/zinc/83/71/05/1425837105.db2.gz IVSGXWNFKSHNTL-FQEVSTJZSA-N -1 3 395.422 3.319 20 0 GGADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1nnc2ccccc2c1[O-] ZINC000171860855 1425837156 /nfs/dbraw/zinc/83/71/56/1425837156.db2.gz LQODKCHXBRVCEB-UHFFFAOYSA-N -1 3 391.456 3.385 20 0 GGADHM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1nnc2ccccc2c1[O-] ZINC000171869385 1425838982 /nfs/dbraw/zinc/83/89/82/1425838982.db2.gz CCFHJTMINRNZBI-GOSISDBHSA-N -1 3 385.427 3.298 20 0 GGADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cccnc1 ZINC000172021195 1425876303 /nfs/dbraw/zinc/87/63/03/1425876303.db2.gz OAOVZEBOAKFOAK-UHFFFAOYSA-N -1 3 385.420 3.298 20 0 GGADHM CC(C)C[C@@H](NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820056452 1425944087 /nfs/dbraw/zinc/94/40/87/1425944087.db2.gz PIGOKHDHBJJWTB-LJQANCHMSA-N -1 3 399.520 3.017 20 0 GGADHM CC(C)C[C@@H](NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820056452 1425944089 /nfs/dbraw/zinc/94/40/89/1425944089.db2.gz PIGOKHDHBJJWTB-LJQANCHMSA-N -1 3 399.520 3.017 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000822015717 1425951717 /nfs/dbraw/zinc/95/17/17/1425951717.db2.gz NNMZKIUTRCAFHU-JSGCOSHPSA-N -1 3 385.516 3.069 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000822015717 1425951723 /nfs/dbraw/zinc/95/17/23/1425951723.db2.gz NNMZKIUTRCAFHU-JSGCOSHPSA-N -1 3 385.516 3.069 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000826169226 1425955211 /nfs/dbraw/zinc/95/52/11/1425955211.db2.gz LRJOWOMJZCYKSJ-SFHVURJKSA-N -1 3 395.438 3.252 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000826169226 1425955215 /nfs/dbraw/zinc/95/52/15/1425955215.db2.gz LRJOWOMJZCYKSJ-SFHVURJKSA-N -1 3 395.438 3.252 20 0 GGADHM Fc1ccc(CN2CC=C(c3cnc4[nH]cccc3-4)CC2)cc1-c1nn[n-]n1 ZINC000822766352 1425965216 /nfs/dbraw/zinc/96/52/16/1425965216.db2.gz IBPQEGPHDVOFRJ-UHFFFAOYSA-N -1 3 375.411 3.171 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825218054 1426003115 /nfs/dbraw/zinc/00/31/15/1426003115.db2.gz BEPINEGVFYIECM-DYVFJYSZSA-N -1 3 396.520 3.115 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000172379728 1426019560 /nfs/dbraw/zinc/01/95/60/1426019560.db2.gz APTGDJVXMDBWBF-UHFFFAOYSA-N -1 3 396.516 3.096 20 0 GGADHM CCOc1ccccc1N1CCN([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736654786 1426022129 /nfs/dbraw/zinc/02/21/29/1426022129.db2.gz XYQKNSPTYZFDQG-MRXNPFEDSA-N -1 3 378.480 3.149 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529864 1426029545 /nfs/dbraw/zinc/02/95/45/1426029545.db2.gz IHKSOXJTFUGERI-OLZOCXBDSA-N -1 3 396.426 3.374 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529864 1426029551 /nfs/dbraw/zinc/02/95/51/1426029551.db2.gz IHKSOXJTFUGERI-OLZOCXBDSA-N -1 3 396.426 3.374 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000172417129 1426034357 /nfs/dbraw/zinc/03/43/57/1426034357.db2.gz KYHDLUKBNULQKD-UHFFFAOYSA-N -1 3 380.301 3.061 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1F ZINC000172564905 1426090245 /nfs/dbraw/zinc/09/02/45/1426090245.db2.gz PMSLYIKHKWMELQ-UHFFFAOYSA-N -1 3 378.425 3.374 20 0 GGADHM Cc1c(CNCc2cc(-c3nn[n-]n3)ccc2F)sc2nc(C)nc(C)c12 ZINC000822431840 1426112433 /nfs/dbraw/zinc/11/24/33/1426112433.db2.gz LRSIMENIMSXTTO-UHFFFAOYSA-N -1 3 383.456 3.226 20 0 GGADHM O=C(CCC1CCCCC1)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000172625819 1426118255 /nfs/dbraw/zinc/11/82/55/1426118255.db2.gz XWWPPLFCFLJYRH-UHFFFAOYSA-N -1 3 391.487 3.246 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Br)c(F)c1 ZINC000821613370 1426120491 /nfs/dbraw/zinc/12/04/91/1426120491.db2.gz KIGCLNNCZHHFRN-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Br)c(F)c1 ZINC000821613370 1426120500 /nfs/dbraw/zinc/12/05/00/1426120500.db2.gz KIGCLNNCZHHFRN-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM CC1CCN(c2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2)CC1 ZINC000172656977 1426130169 /nfs/dbraw/zinc/13/01/69/1426130169.db2.gz WXQVYCGKDGLGDG-UHFFFAOYSA-N -1 3 385.439 3.023 20 0 GGADHM O=C(c1ccccc1[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172812927 1426200575 /nfs/dbraw/zinc/20/05/75/1426200575.db2.gz IBYJREXRNGUYCE-UHFFFAOYSA-N -1 3 378.472 3.436 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000172865444 1426228241 /nfs/dbraw/zinc/22/82/41/1426228241.db2.gz MOYUKOKASNRTGR-CQSZACIVSA-N -1 3 396.878 3.096 20 0 GGADHM O=C1CCCCN1c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000172885201 1426238498 /nfs/dbraw/zinc/23/84/98/1426238498.db2.gz RAKKHAVOAAYDEX-UHFFFAOYSA-N -1 3 392.452 3.163 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1 ZINC000172884068 1426238638 /nfs/dbraw/zinc/23/86/38/1426238638.db2.gz KVGJFIKCTJPCJJ-UHFFFAOYSA-N -1 3 388.445 3.479 20 0 GGADHM Cc1cccc([C@H]2CCN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)C2)c1 ZINC000826297288 1426259728 /nfs/dbraw/zinc/25/97/28/1426259728.db2.gz AOSJXEHFSGNQOC-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1cccc([C@H]2CCN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)C2)c1 ZINC000826297288 1426259736 /nfs/dbraw/zinc/25/97/36/1426259736.db2.gz AOSJXEHFSGNQOC-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824539905 1426265546 /nfs/dbraw/zinc/26/55/46/1426265546.db2.gz QUVPHFPHGOCJEC-VUCTXSBTSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824539905 1426265552 /nfs/dbraw/zinc/26/55/52/1426265552.db2.gz QUVPHFPHGOCJEC-VUCTXSBTSA-N -1 3 391.397 3.052 20 0 GGADHM S=c1nc(-c2ccccn2)[n-]n1CN1CC[C@H](COCc2ccccc2)C1 ZINC000172970180 1426288903 /nfs/dbraw/zinc/28/89/03/1426288903.db2.gz KGHUIWRTJWSTGP-KRWDZBQOSA-N -1 3 381.505 3.499 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000173063420 1426327830 /nfs/dbraw/zinc/32/78/30/1426327830.db2.gz HPLUVDHNPWLAEF-LLVKDONJSA-N -1 3 388.386 3.048 20 0 GGADHM CC[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736402519 1426368427 /nfs/dbraw/zinc/36/84/27/1426368427.db2.gz NAEBTOPUFVMYLD-STQMWFEESA-N -1 3 388.541 3.256 20 0 GGADHM CC[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000736402519 1426368434 /nfs/dbraw/zinc/36/84/34/1426368434.db2.gz NAEBTOPUFVMYLD-STQMWFEESA-N -1 3 388.541 3.256 20 0 GGADHM CCc1ccc([C@H]2CCCN2CCOc2ccc(-c3nn[n-]n3)cc2OC)o1 ZINC000736685085 1426390888 /nfs/dbraw/zinc/39/08/88/1426390888.db2.gz KHONBFLFVSVQLB-MRXNPFEDSA-N -1 3 383.452 3.247 20 0 GGADHM CCc1ccc([C@H]2CCCN2CCOc2ccc(-c3nnn[n-]3)cc2OC)o1 ZINC000736685085 1426390896 /nfs/dbraw/zinc/39/08/96/1426390896.db2.gz KHONBFLFVSVQLB-MRXNPFEDSA-N -1 3 383.452 3.247 20 0 GGADHM CCc1cc2c(CNc3ccc(NC(=O)CN(C)C)cc3)cc(=O)oc2cc1[O-] ZINC000173230335 1426414888 /nfs/dbraw/zinc/41/48/88/1426414888.db2.gz PSMBXBSQLMOEEN-UHFFFAOYSA-N -1 3 395.459 3.173 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000173261888 1426440051 /nfs/dbraw/zinc/44/00/51/1426440051.db2.gz PIKDRLDTAWYWAB-UHFFFAOYSA-N -1 3 382.807 3.069 20 0 GGADHM COc1ccc(CNCc2ccccc2OC2CCCC2)cc1-c1nn[n-]n1 ZINC000821818245 1426443732 /nfs/dbraw/zinc/44/37/32/1426443732.db2.gz LXNYFBFJCIOUOT-UHFFFAOYSA-N -1 3 379.464 3.487 20 0 GGADHM COc1ccc(CNCc2ccccc2OC2CCCC2)cc1-c1nnn[n-]1 ZINC000821818245 1426443737 /nfs/dbraw/zinc/44/37/37/1426443737.db2.gz LXNYFBFJCIOUOT-UHFFFAOYSA-N -1 3 379.464 3.487 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826306113 1426450050 /nfs/dbraw/zinc/45/00/50/1426450050.db2.gz QKMCWCWKGICVOW-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826306113 1426450052 /nfs/dbraw/zinc/45/00/52/1426450052.db2.gz QKMCWCWKGICVOW-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM CCCOc1ccc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000173276706 1426454663 /nfs/dbraw/zinc/45/46/63/1426454663.db2.gz GLUAWOUGARLUQI-UHFFFAOYSA-N -1 3 376.478 3.418 20 0 GGADHM CCSCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000173281011 1426457436 /nfs/dbraw/zinc/45/74/36/1426457436.db2.gz SEHSOGYBFRVWKD-LBPRGKRZSA-N -1 3 390.546 3.164 20 0 GGADHM CCSCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000173280997 1426458363 /nfs/dbraw/zinc/45/83/63/1426458363.db2.gz SEHSOGYBFRVWKD-GFCCVEGCSA-N -1 3 390.546 3.164 20 0 GGADHM CC(C)Oc1cccc([C@H](O)CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824334251 1426464408 /nfs/dbraw/zinc/46/44/08/1426464408.db2.gz SWOUVCFLTQUCOS-ORAYPTAESA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1cccc([C@H](O)CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824334251 1426464409 /nfs/dbraw/zinc/46/44/09/1426464409.db2.gz SWOUVCFLTQUCOS-ORAYPTAESA-N -1 3 385.443 3.177 20 0 GGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000173289088 1426467665 /nfs/dbraw/zinc/46/76/65/1426467665.db2.gz LYZACTRJWHZPSH-UHFFFAOYSA-N -1 3 395.806 3.112 20 0 GGADHM COc1ccc(-c2nsc([N-]C(=O)c3cn(Cc4cccs4)nn3)n2)cc1 ZINC000173303190 1426485489 /nfs/dbraw/zinc/48/54/89/1426485489.db2.gz WICUPNBXBLZURD-UHFFFAOYSA-N -1 3 398.473 3.167 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Br)nc3)c2)n1 ZINC000173314808 1426498713 /nfs/dbraw/zinc/49/87/13/1426498713.db2.gz LDSMYWFSEBFYGD-UHFFFAOYSA-N -1 3 399.248 3.409 20 0 GGADHM C[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824578060 1426500980 /nfs/dbraw/zinc/50/09/80/1426500980.db2.gz PWRSCMMGCXEXEQ-PXAZEXFGSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578060 1426500982 /nfs/dbraw/zinc/50/09/82/1426500982.db2.gz PWRSCMMGCXEXEQ-PXAZEXFGSA-N -1 3 382.855 3.364 20 0 GGADHM CN(CCc1cccs1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000173329108 1426510578 /nfs/dbraw/zinc/51/05/78/1426510578.db2.gz OVDFMVNFLOJOMH-UHFFFAOYSA-N -1 3 398.525 3.279 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2cccc(F)c2)CCCN1c1ccccc1Cl ZINC000173331282 1426512296 /nfs/dbraw/zinc/51/22/96/1426512296.db2.gz XWGLYFDUWWRWJH-INIZCTEOSA-N -1 3 396.871 3.094 20 0 GGADHM CCOc1c(OC)cc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821388912 1426527271 /nfs/dbraw/zinc/52/72/71/1426527271.db2.gz AMFFPYWRWZOKSE-ZDUSSCGKSA-N -1 3 383.452 3.133 20 0 GGADHM CCOc1c(OC)cc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821388912 1426527272 /nfs/dbraw/zinc/52/72/72/1426527272.db2.gz AMFFPYWRWZOKSE-ZDUSSCGKSA-N -1 3 383.452 3.133 20 0 GGADHM Fc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1-c1nn[n-]n1 ZINC000826374745 1426533857 /nfs/dbraw/zinc/53/38/57/1426533857.db2.gz LBCBTRMLEWAQBN-UHFFFAOYSA-N -1 3 395.364 3.058 20 0 GGADHM Fc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1-c1nnn[n-]1 ZINC000826374745 1426533861 /nfs/dbraw/zinc/53/38/61/1426533861.db2.gz LBCBTRMLEWAQBN-UHFFFAOYSA-N -1 3 395.364 3.058 20 0 GGADHM CC[C@H](C)Oc1cc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1OC ZINC000825074613 1426546946 /nfs/dbraw/zinc/54/69/46/1426546946.db2.gz IHPQKPDHVFLXRB-AWEZNQCLSA-N -1 3 397.479 3.351 20 0 GGADHM CC[C@H](C)Oc1cc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1OC ZINC000825074613 1426546950 /nfs/dbraw/zinc/54/69/50/1426546950.db2.gz IHPQKPDHVFLXRB-AWEZNQCLSA-N -1 3 397.479 3.351 20 0 GGADHM c1c(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c2ccccn12 ZINC000738444943 1426641958 /nfs/dbraw/zinc/64/19/58/1426641958.db2.gz AFMIHPDHQBCODQ-INIZCTEOSA-N -1 3 388.431 3.185 20 0 GGADHM c1c(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c2ccccn12 ZINC000738444943 1426641964 /nfs/dbraw/zinc/64/19/64/1426641964.db2.gz AFMIHPDHQBCODQ-INIZCTEOSA-N -1 3 388.431 3.185 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)C2CC2)n1 ZINC000173469214 1426644508 /nfs/dbraw/zinc/64/45/08/1426644508.db2.gz OPLYRGCHAGBGQO-INIZCTEOSA-N -1 3 392.481 3.206 20 0 GGADHM C[C@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577195 1426656483 /nfs/dbraw/zinc/65/64/83/1426656483.db2.gz HUEIBRBPCYEQPY-KSSFIOAISA-N -1 3 384.459 3.477 20 0 GGADHM C[C@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577195 1426656494 /nfs/dbraw/zinc/65/64/94/1426656494.db2.gz HUEIBRBPCYEQPY-KSSFIOAISA-N -1 3 384.459 3.477 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)C2CC2)s1 ZINC000173491049 1426663583 /nfs/dbraw/zinc/66/35/83/1426663583.db2.gz CRSZLYLWWAKVKJ-INIZCTEOSA-N -1 3 392.481 3.206 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)on1 ZINC000173494962 1426666268 /nfs/dbraw/zinc/66/62/68/1426666268.db2.gz BYYDEMWPUTVPMZ-UHFFFAOYSA-N -1 3 392.456 3.382 20 0 GGADHM C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824553832 1426686229 /nfs/dbraw/zinc/68/62/29/1426686229.db2.gz IRTMETLMZDXUIV-ZIAGYGMSSA-N -1 3 398.898 3.390 20 0 GGADHM C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824553832 1426686233 /nfs/dbraw/zinc/68/62/33/1426686233.db2.gz IRTMETLMZDXUIV-ZIAGYGMSSA-N -1 3 398.898 3.390 20 0 GGADHM O=C(CN1CC[C@@H](Cc2ccccc2)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737875326 1426743661 /nfs/dbraw/zinc/74/36/61/1426743661.db2.gz JDGRDMNJVOWQBA-HNNXBMFYSA-N -1 3 396.882 3.023 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(O[C@H]2CCOC2)c1 ZINC000826288535 1426781849 /nfs/dbraw/zinc/78/18/49/1426781849.db2.gz LLSJKFSUPJSDMT-KXBFYZLASA-N -1 3 379.464 3.194 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(O[C@H]2CCOC2)c1 ZINC000826288535 1426781854 /nfs/dbraw/zinc/78/18/54/1426781854.db2.gz LLSJKFSUPJSDMT-KXBFYZLASA-N -1 3 379.464 3.194 20 0 GGADHM Cc1ccsc1[C@@H](C)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826315747 1426795681 /nfs/dbraw/zinc/79/56/81/1426795681.db2.gz SEGKIEGBJRHUGA-CJNGLKHVSA-N -1 3 382.493 3.083 20 0 GGADHM Cc1ccsc1[C@@H](C)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826315747 1426795686 /nfs/dbraw/zinc/79/56/86/1426795686.db2.gz SEGKIEGBJRHUGA-CJNGLKHVSA-N -1 3 382.493 3.083 20 0 GGADHM O=C1OCCN1c1cccc2c1CCN(Cc1cc(=O)oc3cc([O-])ccc13)C2 ZINC000173700694 1426825094 /nfs/dbraw/zinc/82/50/94/1426825094.db2.gz UHTVOCGSVZYFCN-UHFFFAOYSA-N -1 3 392.411 3.014 20 0 GGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000173779683 1426849130 /nfs/dbraw/zinc/84/91/30/1426849130.db2.gz LQEUHRXIXHHXLP-JTQLQIEISA-N -1 3 391.276 3.143 20 0 GGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000173779696 1426849238 /nfs/dbraw/zinc/84/92/38/1426849238.db2.gz LQEUHRXIXHHXLP-SNVBAGLBSA-N -1 3 391.276 3.143 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc1 ZINC000173806965 1426856615 /nfs/dbraw/zinc/85/66/15/1426856615.db2.gz BGNPSZSJTZEDRH-NSHDSACASA-N -1 3 379.240 3.194 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)ccc2NC1=O ZINC000173840617 1426866991 /nfs/dbraw/zinc/86/69/91/1426866991.db2.gz CDMSKIMKXVBKGP-BMIGLBTASA-N -1 3 396.415 3.114 20 0 GGADHM COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000826190170 1426867741 /nfs/dbraw/zinc/86/77/41/1426867741.db2.gz RXAGXVQPEYSUKY-KRWDZBQOSA-N -1 3 395.463 3.230 20 0 GGADHM COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000826190170 1426867749 /nfs/dbraw/zinc/86/77/49/1426867749.db2.gz RXAGXVQPEYSUKY-KRWDZBQOSA-N -1 3 395.463 3.230 20 0 GGADHM CC(C)OC(=O)CCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735892582 1426874941 /nfs/dbraw/zinc/87/49/41/1426874941.db2.gz KVKDUYOHNLWPFD-UHFFFAOYSA-N -1 3 397.454 3.350 20 0 GGADHM CCS[C@H]1CC[C@H](N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000173868987 1426876868 /nfs/dbraw/zinc/87/68/68/1426876868.db2.gz VZECPIXMHFEDAI-RYUDHWBXSA-N -1 3 395.550 3.186 20 0 GGADHM c1cc2c(cccc2N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC001139854300 1426884725 /nfs/dbraw/zinc/88/47/25/1426884725.db2.gz IOYPSTYYPPMJIC-UHFFFAOYSA-N -1 3 376.489 3.404 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000737558536 1426889856 /nfs/dbraw/zinc/88/98/56/1426889856.db2.gz MZBISOVXAXIZLX-INIZCTEOSA-N -1 3 383.887 3.382 20 0 GGADHM CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820875492 1426899105 /nfs/dbraw/zinc/89/91/05/1426899105.db2.gz BLBXAXAMUCXSRD-GJZGRUSLSA-N -1 3 378.480 3.246 20 0 GGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000821160819 1426910503 /nfs/dbraw/zinc/91/05/03/1426910503.db2.gz QSNFECSYHQUHKP-ZBFHGGJFSA-N -1 3 396.520 3.226 20 0 GGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000821160819 1426910506 /nfs/dbraw/zinc/91/05/06/1426910506.db2.gz QSNFECSYHQUHKP-ZBFHGGJFSA-N -1 3 396.520 3.226 20 0 GGADHM CC(C)c1cnc(CNC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000824353040 1426913566 /nfs/dbraw/zinc/91/35/66/1426913566.db2.gz VRQYVPPSDGDVMD-UHFFFAOYSA-N -1 3 399.524 3.321 20 0 GGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000174004585 1426937876 /nfs/dbraw/zinc/93/78/76/1426937876.db2.gz POJBFLGNOZZJSW-HNNXBMFYSA-N -1 3 378.469 3.328 20 0 GGADHM Clc1ccc(C2=NO[C@@H](CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)C2)cc1 ZINC000826351726 1426938418 /nfs/dbraw/zinc/93/84/18/1426938418.db2.gz XQGWCSBEEONAHK-QGZVFWFLSA-N -1 3 394.866 3.292 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)c1 ZINC000174033539 1426957032 /nfs/dbraw/zinc/95/70/32/1426957032.db2.gz PEGOURUYJSGVTR-LBPRGKRZSA-N -1 3 391.424 3.065 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174042885 1426965183 /nfs/dbraw/zinc/96/51/83/1426965183.db2.gz QQKTZSZVYHRPQJ-NSHDSACASA-N -1 3 379.388 3.195 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000174043123 1426966485 /nfs/dbraw/zinc/96/64/85/1426966485.db2.gz BAHZSCROMLWSAQ-LLVKDONJSA-N -1 3 379.388 3.195 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1nc(-c2cccc(F)c2)no1 ZINC000174044201 1426966958 /nfs/dbraw/zinc/96/69/58/1426966958.db2.gz DYMWQJRUJYAXOO-LBPRGKRZSA-N -1 3 398.419 3.463 20 0 GGADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174044440 1426967321 /nfs/dbraw/zinc/96/73/21/1426967321.db2.gz ZMKXTIGONMWPMK-ZDUSSCGKSA-N -1 3 375.425 3.365 20 0 GGADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)NC)cc2)cc1 ZINC000174048593 1426970854 /nfs/dbraw/zinc/97/08/54/1426970854.db2.gz RPZMSWISZSIXOW-UHFFFAOYSA-N -1 3 390.505 3.300 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820412959 1426997736 /nfs/dbraw/zinc/99/77/36/1426997736.db2.gz NRALQVJMPZFWPA-IRXDYDNUSA-N -1 3 392.507 3.343 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820412959 1426997741 /nfs/dbraw/zinc/99/77/41/1426997741.db2.gz NRALQVJMPZFWPA-IRXDYDNUSA-N -1 3 392.507 3.343 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000822205765 1427004372 /nfs/dbraw/zinc/00/43/72/1427004372.db2.gz HTJIZPCKKSIBKX-KBXCAEBGSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000822205765 1427004376 /nfs/dbraw/zinc/00/43/76/1427004376.db2.gz HTJIZPCKKSIBKX-KBXCAEBGSA-N -1 3 394.454 3.160 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 ZINC000174109088 1427005668 /nfs/dbraw/zinc/00/56/68/1427005668.db2.gz MNWHOCCJOVDEFC-UHFFFAOYSA-N -1 3 385.811 3.160 20 0 GGADHM C[C@@H](Sc1ncc(CO)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000174130879 1427015015 /nfs/dbraw/zinc/01/50/15/1427015015.db2.gz MELQSDKZWOHHAJ-SECBINFHSA-N -1 3 388.474 3.324 20 0 GGADHM COc1cc(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC)c1OC ZINC000826179562 1427015958 /nfs/dbraw/zinc/01/59/58/1427015958.db2.gz UQQFTBSSRIGCED-QGZVFWFLSA-N -1 3 395.463 3.060 20 0 GGADHM COc1cc(CN[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC)c1OC ZINC000826179562 1427015966 /nfs/dbraw/zinc/01/59/66/1427015966.db2.gz UQQFTBSSRIGCED-QGZVFWFLSA-N -1 3 395.463 3.060 20 0 GGADHM COC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000174148030 1427021271 /nfs/dbraw/zinc/02/12/71/1427021271.db2.gz QQNQYSHHYYIVGD-UHFFFAOYSA-N -1 3 394.468 3.090 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000174208454 1427051977 /nfs/dbraw/zinc/05/19/77/1427051977.db2.gz KZAWYKKBFNGDGB-MRXNPFEDSA-N -1 3 388.439 3.456 20 0 GGADHM CCCCC[C@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825267776 1427069333 /nfs/dbraw/zinc/06/93/33/1427069333.db2.gz NLILHFPXXYKCQC-FQEVSTJZSA-N -1 3 392.507 3.394 20 0 GGADHM CCCCC[C@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825267776 1427069338 /nfs/dbraw/zinc/06/93/38/1427069338.db2.gz NLILHFPXXYKCQC-FQEVSTJZSA-N -1 3 392.507 3.394 20 0 GGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1 ZINC000174328900 1427104199 /nfs/dbraw/zinc/10/41/99/1427104199.db2.gz RKPGMZRVCFYFST-UHFFFAOYSA-N -1 3 389.521 3.186 20 0 GGADHM Cc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000826283704 1427115868 /nfs/dbraw/zinc/11/58/68/1427115868.db2.gz YENOZFCKBUCJMR-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000826283704 1427115875 /nfs/dbraw/zinc/11/58/75/1427115875.db2.gz YENOZFCKBUCJMR-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM CC(C)Cc1ncc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000824280222 1427122584 /nfs/dbraw/zinc/12/25/84/1427122584.db2.gz HCZDWLSTEKGWJA-UHFFFAOYSA-N -1 3 397.552 3.234 20 0 GGADHM CC(C)Cc1ncc(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000824280222 1427122591 /nfs/dbraw/zinc/12/25/91/1427122591.db2.gz HCZDWLSTEKGWJA-UHFFFAOYSA-N -1 3 397.552 3.234 20 0 GGADHM COc1ccc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000821818673 1427158338 /nfs/dbraw/zinc/15/83/38/1427158338.db2.gz XJSKRNXTSXQOOG-UHFFFAOYSA-N -1 3 393.369 3.193 20 0 GGADHM COc1ccc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000821818673 1427158343 /nfs/dbraw/zinc/15/83/43/1427158343.db2.gz XJSKRNXTSXQOOG-UHFFFAOYSA-N -1 3 393.369 3.193 20 0 GGADHM CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736402518 1427160569 /nfs/dbraw/zinc/16/05/69/1427160569.db2.gz NAEBTOPUFVMYLD-QWHCGFSZSA-N -1 3 388.541 3.256 20 0 GGADHM CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000736402518 1427160577 /nfs/dbraw/zinc/16/05/77/1427160577.db2.gz NAEBTOPUFVMYLD-QWHCGFSZSA-N -1 3 388.541 3.256 20 0 GGADHM Cc1ccc(-n2[n-]c(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc2=O)cc1 ZINC000174453318 1427162381 /nfs/dbraw/zinc/16/23/81/1427162381.db2.gz QSRPOAMOARCEPE-OAQYLSRUSA-N -1 3 390.487 3.041 20 0 GGADHM C[C@H]1CCc2ccccc2N1CCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000174528869 1427205702 /nfs/dbraw/zinc/20/57/02/1427205702.db2.gz DHJWEPUWACREQA-HNNXBMFYSA-N -1 3 387.505 3.228 20 0 GGADHM C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000174528857 1427206086 /nfs/dbraw/zinc/20/60/86/1427206086.db2.gz DHJWEPUWACREQA-OAHLLOKOSA-N -1 3 387.505 3.228 20 0 GGADHM O=C(NCC(F)F)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000174547693 1427216878 /nfs/dbraw/zinc/21/68/78/1427216878.db2.gz JHIDMFZXBCYQGY-UHFFFAOYSA-N -1 3 392.786 3.275 20 0 GGADHM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)cc2=O)cc1 ZINC000174553669 1427221221 /nfs/dbraw/zinc/22/12/21/1427221221.db2.gz CAWGARMYFNOBHD-NRFANRHFSA-N -1 3 390.487 3.041 20 0 GGADHM CC(C)Cc1ccc([C@H](C)NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280152 1427232303 /nfs/dbraw/zinc/23/23/03/1427232303.db2.gz FAGHSRATDFGRIO-INIZCTEOSA-N -1 3 392.507 3.032 20 0 GGADHM CC(C)Cc1ccc([C@H](C)NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824280152 1427232315 /nfs/dbraw/zinc/23/23/15/1427232315.db2.gz FAGHSRATDFGRIO-INIZCTEOSA-N -1 3 392.507 3.032 20 0 GGADHM Fc1ccc(OC2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c(F)c1 ZINC000826375496 1427246218 /nfs/dbraw/zinc/24/62/18/1427246218.db2.gz PWAKAXQUKBBDHA-UHFFFAOYSA-N -1 3 377.420 3.250 20 0 GGADHM Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)n1 ZINC000174606144 1427257238 /nfs/dbraw/zinc/25/72/38/1427257238.db2.gz DTTNMFJYWLPKKE-RDJZCZTQSA-N -1 3 399.516 3.168 20 0 GGADHM Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)c4ccccc4[O-])CC3)o2)cc1 ZINC000174606937 1427258442 /nfs/dbraw/zinc/25/84/42/1427258442.db2.gz YUSHGOPCYHTIQL-INIZCTEOSA-N -1 3 392.459 3.270 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000174607529 1427259307 /nfs/dbraw/zinc/25/93/07/1427259307.db2.gz HHNAWQCSRKCMCW-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000174608417 1427259337 /nfs/dbraw/zinc/25/93/37/1427259337.db2.gz DAHVZCPHMOTSOW-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174609018 1427259618 /nfs/dbraw/zinc/25/96/18/1427259618.db2.gz STCQZPJTCAWAPM-UHFFFAOYSA-N -1 3 395.503 3.221 20 0 GGADHM Cc1cc2oc(=O)cc(CN3CCN(C(=O)c4ccccc4[O-])CC3)c2cc1C ZINC000174610529 1427260310 /nfs/dbraw/zinc/26/03/10/1427260310.db2.gz QXWMSCXGZWOMNO-UHFFFAOYSA-N -1 3 392.455 3.073 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC(=O)N(Cc4ccccc4)C3)n[n-]2)o1 ZINC000174611758 1427261108 /nfs/dbraw/zinc/26/11/08/1427261108.db2.gz HGUIREIZTQLTIB-INIZCTEOSA-N -1 3 379.416 3.184 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC(=O)N(Cc4ccccc4)C3)[n-]n2)o1 ZINC000174611758 1427261115 /nfs/dbraw/zinc/26/11/15/1427261115.db2.gz HGUIREIZTQLTIB-INIZCTEOSA-N -1 3 379.416 3.184 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000174610979 1427261217 /nfs/dbraw/zinc/26/12/17/1427261217.db2.gz LGOMDZSWIDOIHY-UHFFFAOYSA-N -1 3 399.397 3.283 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccsc1 ZINC000174626033 1427272115 /nfs/dbraw/zinc/27/21/15/1427272115.db2.gz RHRAYWQFDLSYSM-IBGZPJMESA-N -1 3 398.532 3.348 20 0 GGADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000174627199 1427273294 /nfs/dbraw/zinc/27/32/94/1427273294.db2.gz VBRSEHZWPJKDDJ-GOSISDBHSA-N -1 3 376.403 3.285 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c(C)c1C ZINC000174775447 1427360624 /nfs/dbraw/zinc/36/06/24/1427360624.db2.gz RUUUWKPOQPITFJ-UHFFFAOYSA-N -1 3 388.489 3.385 20 0 GGADHM COc1ccc(CNCc2ccc(Br)c(F)c2)cc1-c1nn[n-]n1 ZINC000821818028 1427365672 /nfs/dbraw/zinc/36/56/72/1427365672.db2.gz HYIHANPUDLEWMK-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM COc1ccc(CNCc2ccc(Br)c(F)c2)cc1-c1nnn[n-]1 ZINC000821818028 1427365673 /nfs/dbraw/zinc/36/56/73/1427365673.db2.gz HYIHANPUDLEWMK-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM CC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc(C(F)(F)F)cs1 ZINC000174850687 1427406207 /nfs/dbraw/zinc/40/62/07/1427406207.db2.gz GHOJYQXCXLUPQY-SECBINFHSA-N -1 3 382.367 3.280 20 0 GGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000174875490 1427421996 /nfs/dbraw/zinc/42/19/96/1427421996.db2.gz QVFQWECEKQJHCD-UHFFFAOYSA-N -1 3 392.452 3.267 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1occc1CS(=O)(=O)c1ccccc1 ZINC000174884658 1427427285 /nfs/dbraw/zinc/42/72/85/1427427285.db2.gz GIEZJIUNGZCLGB-UHFFFAOYSA-N -1 3 375.377 3.351 20 0 GGADHM Fc1c(CN[C@H](CN2CCCCC2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371205 1427470704 /nfs/dbraw/zinc/47/07/04/1427470704.db2.gz XCFKMVDKOWQQGX-LJQANCHMSA-N -1 3 380.471 3.323 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000175042460 1427515539 /nfs/dbraw/zinc/51/55/39/1427515539.db2.gz UMWXAVUZRJPLAM-UHFFFAOYSA-N -1 3 376.844 3.240 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000175076125 1427533209 /nfs/dbraw/zinc/53/32/09/1427533209.db2.gz BZGHSSRXERVPLT-UHFFFAOYSA-N -1 3 384.244 3.222 20 0 GGADHM Cc1ccnc(NC[C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)c1 ZINC000822374498 1427545418 /nfs/dbraw/zinc/54/54/18/1427545418.db2.gz ZODINQCXWNLIBJ-HNNXBMFYSA-N -1 3 386.463 3.057 20 0 GGADHM COCCOc1ccc([C@@H](C)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826162501 1427557448 /nfs/dbraw/zinc/55/74/48/1427557448.db2.gz FCIKOYKYLVHKTR-OAHLLOKOSA-N -1 3 379.464 3.232 20 0 GGADHM COCCOc1ccc([C@@H](C)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826162501 1427557453 /nfs/dbraw/zinc/55/74/53/1427557453.db2.gz FCIKOYKYLVHKTR-OAHLLOKOSA-N -1 3 379.464 3.232 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000175124701 1427559959 /nfs/dbraw/zinc/55/99/59/1427559959.db2.gz MCSRBQAAGDBXIT-OAHLLOKOSA-N -1 3 389.883 3.243 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nccc1-c1ccncc1 ZINC000735830039 1427564021 /nfs/dbraw/zinc/56/40/21/1427564021.db2.gz AQOMQXHGOKVRAU-UHFFFAOYSA-N -1 3 388.479 3.241 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)cc1NC(C)C ZINC000175146494 1427568100 /nfs/dbraw/zinc/56/81/00/1427568100.db2.gz TZMKMSGPYBSWHX-UHFFFAOYSA-N -1 3 395.438 3.281 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000175166493 1427577720 /nfs/dbraw/zinc/57/77/20/1427577720.db2.gz AZYRGZHNOJOVIJ-UHFFFAOYSA-N -1 3 398.413 3.013 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)Cc3cc4ccccc4o3)nc(=O)c2c1C ZINC000175183972 1427587156 /nfs/dbraw/zinc/58/71/56/1427587156.db2.gz LDYXQJWRIKYYSI-UHFFFAOYSA-N -1 3 397.456 3.458 20 0 GGADHM CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1Cl ZINC000821207832 1427592215 /nfs/dbraw/zinc/59/22/15/1427592215.db2.gz VJTQSYJNZDTXBV-UHFFFAOYSA-N -1 3 384.871 3.371 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Cl)cc1Cl ZINC000175205209 1427599530 /nfs/dbraw/zinc/59/95/30/1427599530.db2.gz UWWMNJQRLAKPAJ-UHFFFAOYSA-N -1 3 378.277 3.247 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000824507401 1427603073 /nfs/dbraw/zinc/60/30/73/1427603073.db2.gz XFHSBQIAOCUYOK-SWLSCSKDSA-N -1 3 392.529 3.196 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000824507401 1427603076 /nfs/dbraw/zinc/60/30/76/1427603076.db2.gz XFHSBQIAOCUYOK-SWLSCSKDSA-N -1 3 392.529 3.196 20 0 GGADHM CCc1nc(CN2CCC(CNC(=O)c3cc(F)ccc3[O-])CC2)cs1 ZINC000175228153 1427613591 /nfs/dbraw/zinc/61/35/91/1427613591.db2.gz MILUNUPCJQDSRA-UHFFFAOYSA-N -1 3 377.485 3.192 20 0 GGADHM CCCC[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438577 1427614440 /nfs/dbraw/zinc/61/44/40/1427614440.db2.gz NZJNCBORFAMTAK-XJKSGUPXSA-N -1 3 383.456 3.011 20 0 GGADHM CCCC[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438577 1427614442 /nfs/dbraw/zinc/61/44/42/1427614442.db2.gz NZJNCBORFAMTAK-XJKSGUPXSA-N -1 3 383.456 3.011 20 0 GGADHM Cc1nc(C)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000175250760 1427625680 /nfs/dbraw/zinc/62/56/80/1427625680.db2.gz SDGUXJUMUYXMAM-UHFFFAOYSA-N -1 3 377.828 3.141 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C(=O)NC(C)(C)C ZINC000824533137 1427625958 /nfs/dbraw/zinc/62/59/58/1427625958.db2.gz ZEZSJKVWPNXLQW-GJZGRUSLSA-N -1 3 392.507 3.488 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C(=O)NC(C)(C)C ZINC000824533137 1427625962 /nfs/dbraw/zinc/62/59/62/1427625962.db2.gz ZEZSJKVWPNXLQW-GJZGRUSLSA-N -1 3 392.507 3.488 20 0 GGADHM Cc1ccc(OCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000175302220 1427662137 /nfs/dbraw/zinc/66/21/37/1427662137.db2.gz OEEJKUYZTJVEEG-UHFFFAOYSA-N -1 3 396.487 3.153 20 0 GGADHM Cc1cccc2c(CCC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c[nH]c21 ZINC000175303895 1427663277 /nfs/dbraw/zinc/66/32/77/1427663277.db2.gz CUKRMYBIAWIMMF-UHFFFAOYSA-N -1 3 391.471 3.099 20 0 GGADHM c1ccc2nc(CN3CCC(Oc4cccc(-c5nn[n-]n5)c4)CC3)ccc2c1 ZINC000738419029 1427667494 /nfs/dbraw/zinc/66/74/94/1427667494.db2.gz MDRXUOJQVXYINL-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000175363724 1427708621 /nfs/dbraw/zinc/70/86/21/1427708621.db2.gz WXGXEOJCRCEXPI-UHFFFAOYSA-N -1 3 393.418 3.125 20 0 GGADHM COc1cc(Cl)c(Cl)cc1C(=O)[N-]n1c(C)nc2sccc2c1=O ZINC000175382129 1427721385 /nfs/dbraw/zinc/72/13/85/1427721385.db2.gz FFWGMQRFYJOAQQ-UHFFFAOYSA-N -1 3 384.244 3.466 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826341200 1427754415 /nfs/dbraw/zinc/75/44/15/1427754415.db2.gz ABKGKFMPYWWHSK-QGZVFWFLSA-N -1 3 382.468 3.392 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826341200 1427754418 /nfs/dbraw/zinc/75/44/18/1427754418.db2.gz ABKGKFMPYWWHSK-QGZVFWFLSA-N -1 3 382.468 3.392 20 0 GGADHM CO[C@H]1CCCN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000826147382 1427771144 /nfs/dbraw/zinc/77/11/44/1427771144.db2.gz VVFZPWJYIVEEGS-FQEVSTJZSA-N -1 3 379.464 3.057 20 0 GGADHM CO[C@H]1CCCN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826147382 1427771150 /nfs/dbraw/zinc/77/11/50/1427771150.db2.gz VVFZPWJYIVEEGS-FQEVSTJZSA-N -1 3 379.464 3.057 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826193203 1427780965 /nfs/dbraw/zinc/78/09/65/1427780965.db2.gz UKKAXALAXOPIGI-UHFFFAOYSA-N -1 3 375.379 3.109 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826193203 1427780968 /nfs/dbraw/zinc/78/09/68/1427780968.db2.gz UKKAXALAXOPIGI-UHFFFAOYSA-N -1 3 375.379 3.109 20 0 GGADHM Cc1cc(CCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)s1 ZINC000175535859 1427807220 /nfs/dbraw/zinc/80/72/20/1427807220.db2.gz RZSSXMXIMOPSDH-UHFFFAOYSA-N -1 3 386.517 3.378 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC000737583515 1427816037 /nfs/dbraw/zinc/81/60/37/1427816037.db2.gz LUTOEBCEPNVPEI-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC000737583515 1427816046 /nfs/dbraw/zinc/81/60/46/1427816046.db2.gz LUTOEBCEPNVPEI-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000175563027 1427816110 /nfs/dbraw/zinc/81/61/10/1427816110.db2.gz IANACHSYQZTSRO-VIFPVBQESA-N -1 3 390.383 3.006 20 0 GGADHM CCCNC(=O)c1cccc(CN[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825331858 1427821210 /nfs/dbraw/zinc/82/12/10/1427821210.db2.gz AQQMVHQAMPCOOD-FQEVSTJZSA-N -1 3 390.491 3.174 20 0 GGADHM CCCNC(=O)c1cccc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825331858 1427821214 /nfs/dbraw/zinc/82/12/14/1427821214.db2.gz AQQMVHQAMPCOOD-FQEVSTJZSA-N -1 3 390.491 3.174 20 0 GGADHM CC(C)(C)CCCC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735602787 1427823172 /nfs/dbraw/zinc/82/31/72/1427823172.db2.gz GNNAMJWPZXZOIC-UHFFFAOYSA-N -1 3 384.528 3.117 20 0 GGADHM CC(C)(C)CCCC(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735602787 1427823175 /nfs/dbraw/zinc/82/31/75/1427823175.db2.gz GNNAMJWPZXZOIC-UHFFFAOYSA-N -1 3 384.528 3.117 20 0 GGADHM Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3cc(Cl)ccc3[O-])cc12 ZINC000175615604 1427832596 /nfs/dbraw/zinc/83/25/96/1427832596.db2.gz WPLRXPYVKUVMNU-SECBINFHSA-N -1 3 392.868 3.059 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c(C)o1 ZINC000175673779 1427852563 /nfs/dbraw/zinc/85/25/63/1427852563.db2.gz LXECCSWVISREMQ-SFHVURJKSA-N -1 3 394.468 3.297 20 0 GGADHM Cc1nc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000175766031 1427883888 /nfs/dbraw/zinc/88/38/88/1427883888.db2.gz SZZSMBIYPVHVMM-UHFFFAOYSA-N -1 3 393.896 3.230 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000175768333 1427885205 /nfs/dbraw/zinc/88/52/05/1427885205.db2.gz GUZDOLWHOPSMBY-UHFFFAOYSA-N -1 3 398.850 3.413 20 0 GGADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1C ZINC000175767995 1427885343 /nfs/dbraw/zinc/88/53/43/1427885343.db2.gz GCXCQTLGVPQNEX-UHFFFAOYSA-N -1 3 375.856 3.183 20 0 GGADHM CCc1ccc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825704936 1427889035 /nfs/dbraw/zinc/88/90/35/1427889035.db2.gz QUOSEJADBAWAHR-LBPRGKRZSA-N -1 3 384.509 3.397 20 0 GGADHM COc1cc([C@H](C)NCc2ccnc(-c3nnn[n-]3)c2)ccc1OCC(C)C ZINC000826177463 1427893457 /nfs/dbraw/zinc/89/34/57/1427893457.db2.gz JNISABJYESIHIX-AWEZNQCLSA-N -1 3 382.468 3.156 20 0 GGADHM COc1cc([C@H](C)NCc2ccnc(-c3nn[n-]n3)c2)ccc1OCC(C)C ZINC000826177463 1427893461 /nfs/dbraw/zinc/89/34/61/1427893461.db2.gz JNISABJYESIHIX-AWEZNQCLSA-N -1 3 382.468 3.156 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(F)cc1F ZINC000175789650 1427893527 /nfs/dbraw/zinc/89/35/27/1427893527.db2.gz OQWHTNXSAZRHEJ-LBPRGKRZSA-N -1 3 396.415 3.269 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)ccc1F ZINC000175808593 1427902349 /nfs/dbraw/zinc/90/23/49/1427902349.db2.gz QEPSDLOWMVTVAJ-GOSISDBHSA-N -1 3 388.464 3.026 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)ccc1F ZINC000175820606 1427910049 /nfs/dbraw/zinc/91/00/49/1427910049.db2.gz NUHYZJWJUNOUPW-UHFFFAOYSA-N -1 3 390.358 3.313 20 0 GGADHM CCCCOc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c(C)c1 ZINC000175846852 1427928590 /nfs/dbraw/zinc/92/85/90/1427928590.db2.gz IBBWARVHEIARLO-UHFFFAOYSA-N -1 3 380.466 3.236 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000175847860 1427929831 /nfs/dbraw/zinc/92/98/31/1427929831.db2.gz YIJZKYJOEOFMNY-GOEBONIOSA-N -1 3 380.460 3.296 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000175847842 1427929908 /nfs/dbraw/zinc/92/99/08/1427929908.db2.gz YIJZKYJOEOFMNY-GDBMZVCRSA-N -1 3 380.460 3.296 20 0 GGADHM Fc1cccc(CN(CCCn2ccnc2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826376671 1427932917 /nfs/dbraw/zinc/93/29/17/1427932917.db2.gz NOLWJLDKNYOLKF-UHFFFAOYSA-N -1 3 391.454 3.295 20 0 GGADHM C[C@@H](NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584902 1427937035 /nfs/dbraw/zinc/93/70/35/1427937035.db2.gz JHFXGIJFBIAIEE-UKRRQHHQSA-N -1 3 375.448 3.122 20 0 GGADHM C[C@@H](NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584902 1427937038 /nfs/dbraw/zinc/93/70/38/1427937038.db2.gz JHFXGIJFBIAIEE-UKRRQHHQSA-N -1 3 375.448 3.122 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175868362 1427942322 /nfs/dbraw/zinc/94/23/22/1427942322.db2.gz VQOILARUDLIKMT-VIFPVBQESA-N -1 3 399.259 3.478 20 0 GGADHM C[C@@H]1CSCCN1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825012342 1427947841 /nfs/dbraw/zinc/94/78/41/1427947841.db2.gz HNPQWMLDZMHMQZ-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM C[C@@H]1CSCCN1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825012342 1427947848 /nfs/dbraw/zinc/94/78/48/1427947848.db2.gz HNPQWMLDZMHMQZ-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cnccc1-c1cccc(F)c1 ZINC000175897547 1427958060 /nfs/dbraw/zinc/95/80/60/1427958060.db2.gz DTERUMQRGVYKTI-UHFFFAOYSA-N -1 3 376.347 3.415 20 0 GGADHM Cc1ccc([C@@H](CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)N2CCCC2)o1 ZINC000826284300 1427972229 /nfs/dbraw/zinc/97/22/29/1427972229.db2.gz PKBAEJAPZMFHPN-CQSZACIVSA-N -1 3 387.875 3.374 20 0 GGADHM Cc1ccc([C@@H](CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)N2CCCC2)o1 ZINC000826284300 1427972231 /nfs/dbraw/zinc/97/22/31/1427972231.db2.gz PKBAEJAPZMFHPN-CQSZACIVSA-N -1 3 387.875 3.374 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccsc2)c2ccccc2)c(C)o1 ZINC000175936529 1427983196 /nfs/dbraw/zinc/98/31/96/1427983196.db2.gz MECHUJGIYURNMO-UHFFFAOYSA-N -1 3 390.486 3.405 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c(C)o1 ZINC000175936882 1427984104 /nfs/dbraw/zinc/98/41/04/1427984104.db2.gz VPLXIWBWBHNXJU-GOSISDBHSA-N -1 3 388.489 3.178 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3nnc4ccccc4c3[O-])cc2)n1 ZINC000175940747 1427985865 /nfs/dbraw/zinc/98/58/65/1427985865.db2.gz YGAXSWYMPYQBNX-OAHLLOKOSA-N -1 3 387.443 3.217 20 0 GGADHM CC[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccs1 ZINC000825141821 1427990790 /nfs/dbraw/zinc/99/07/90/1427990790.db2.gz QBULRGFSSYSWOT-HZPDHXFCSA-N -1 3 382.493 3.165 20 0 GGADHM CC[C@@H](N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccs1 ZINC000825141821 1427990793 /nfs/dbraw/zinc/99/07/93/1427990793.db2.gz QBULRGFSSYSWOT-HZPDHXFCSA-N -1 3 382.493 3.165 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)c(C)o1 ZINC000175953050 1427994222 /nfs/dbraw/zinc/99/42/22/1427994222.db2.gz UONXVCWRVZJVIH-UHFFFAOYSA-N -1 3 396.896 3.001 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000175965808 1428002920 /nfs/dbraw/zinc/00/29/20/1428002920.db2.gz WRHLJMQLDBZCMS-UHFFFAOYSA-N -1 3 383.477 3.129 20 0 GGADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2)n1 ZINC000175970609 1428005276 /nfs/dbraw/zinc/00/52/76/1428005276.db2.gz FDYVKJBOLQTSMY-UHFFFAOYSA-N -1 3 385.445 3.343 20 0 GGADHM Cc1ccc(CNC(=O)c2cccc(C[N-]C(=O)C(F)(F)C(F)F)c2)cc1 ZINC000176006049 1428023425 /nfs/dbraw/zinc/02/34/25/1428023425.db2.gz KAYBSQCVSJZACQ-UHFFFAOYSA-N -1 3 382.357 3.442 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(C)o1 ZINC000176028954 1428035122 /nfs/dbraw/zinc/03/51/22/1428035122.db2.gz BWZQRLCPYPMODV-UHFFFAOYSA-N -1 3 397.884 3.002 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)c(C)o1 ZINC000176033640 1428037593 /nfs/dbraw/zinc/03/75/93/1428037593.db2.gz LSQSELGVODFUCL-UHFFFAOYSA-N -1 3 395.462 3.082 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)c(C)o1 ZINC000176041448 1428043858 /nfs/dbraw/zinc/04/38/58/1428043858.db2.gz CKWMQENXAOEKDX-UHFFFAOYSA-N -1 3 395.437 3.011 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000176058135 1428057695 /nfs/dbraw/zinc/05/76/95/1428057695.db2.gz LSQNATBCSHGMKU-UHFFFAOYSA-N -1 3 390.465 3.239 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000176083519 1428073305 /nfs/dbraw/zinc/07/33/05/1428073305.db2.gz VJZUGCLNSILHBC-UHFFFAOYSA-N -1 3 395.488 3.252 20 0 GGADHM COCCOc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Cl ZINC000176092198 1428078085 /nfs/dbraw/zinc/07/80/85/1428078085.db2.gz RTLAIWHSWQHIIW-UHFFFAOYSA-N -1 3 393.871 3.307 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCCCC[C@H]2c2ccncc2)c([O-])c1 ZINC000176107926 1428087202 /nfs/dbraw/zinc/08/72/02/1428087202.db2.gz UFWMOBDNFCTGIM-IBGZPJMESA-N -1 3 381.476 3.359 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCCCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000176107908 1428087433 /nfs/dbraw/zinc/08/74/33/1428087433.db2.gz UFWMOBDNFCTGIM-LJQANCHMSA-N -1 3 381.476 3.359 20 0 GGADHM CC[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212900 1428091038 /nfs/dbraw/zinc/09/10/38/1428091038.db2.gz URFJUEPPZNSHJI-IUODEOHRSA-N -1 3 392.529 3.053 20 0 GGADHM CC[C@@H](C)Oc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000176130120 1428104256 /nfs/dbraw/zinc/10/42/56/1428104256.db2.gz TXLXHSQRZBUAIA-MRXNPFEDSA-N -1 3 382.460 3.168 20 0 GGADHM Cc1cc(C)n(-c2ccc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2)n1 ZINC000826264797 1428119264 /nfs/dbraw/zinc/11/92/64/1428119264.db2.gz ALNDMDISBASTEG-UHFFFAOYSA-N -1 3 385.475 3.448 20 0 GGADHM Cc1cc(C)n(-c2ccc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2)n1 ZINC000826264797 1428119268 /nfs/dbraw/zinc/11/92/68/1428119268.db2.gz ALNDMDISBASTEG-UHFFFAOYSA-N -1 3 385.475 3.448 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)c(C)o1 ZINC000176154416 1428123639 /nfs/dbraw/zinc/12/36/39/1428123639.db2.gz CFTHRWMMNVJOCJ-UHFFFAOYSA-N -1 3 391.493 3.129 20 0 GGADHM O=C(CC[C@H]1CCOC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176168345 1428134353 /nfs/dbraw/zinc/13/43/53/1428134353.db2.gz BNGUXWGTTNBPHC-ZDUSSCGKSA-N -1 3 380.872 3.039 20 0 GGADHM CCCn1ccc2ccc(NC(=O)c3cc(S(=O)(=O)[N-]C)oc3C)cc21 ZINC000176168583 1428135291 /nfs/dbraw/zinc/13/52/91/1428135291.db2.gz PFBYJJHVIAGDOY-UHFFFAOYSA-N -1 3 375.450 3.113 20 0 GGADHM COc1ccc(CN[C@H]2CCCOc3c(C)cc(C)cc32)cc1-c1nnn[n-]1 ZINC000826202712 1428156366 /nfs/dbraw/zinc/15/63/66/1428156366.db2.gz JTBJADZFRJVBGE-SFHVURJKSA-N -1 3 379.464 3.496 20 0 GGADHM COc1ccc(CN[C@H]2CCCOc3c(C)cc(C)cc32)cc1-c1nn[n-]n1 ZINC000826202712 1428156372 /nfs/dbraw/zinc/15/63/72/1428156372.db2.gz JTBJADZFRJVBGE-SFHVURJKSA-N -1 3 379.464 3.496 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000176197631 1428158815 /nfs/dbraw/zinc/15/88/15/1428158815.db2.gz DLWWMJLFHHJYKU-UHFFFAOYSA-N -1 3 385.855 3.467 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000176208331 1428168223 /nfs/dbraw/zinc/16/82/23/1428168223.db2.gz NAPFFGYFOWOGLX-UHFFFAOYSA-N -1 3 387.383 3.302 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C)o1 ZINC000176220796 1428175399 /nfs/dbraw/zinc/17/53/99/1428175399.db2.gz QNYYASHQQUESBF-VXGBXAGGSA-N -1 3 398.912 3.414 20 0 GGADHM CN(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000821581523 1428178001 /nfs/dbraw/zinc/17/80/01/1428178001.db2.gz NSUIRDUVIRBIBZ-AWEZNQCLSA-N -1 3 378.267 3.283 20 0 GGADHM CN(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000821581523 1428178004 /nfs/dbraw/zinc/17/80/04/1428178004.db2.gz NSUIRDUVIRBIBZ-AWEZNQCLSA-N -1 3 378.267 3.283 20 0 GGADHM O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180411381 1429861328 /nfs/dbraw/zinc/86/13/28/1429861328.db2.gz AVFMVAYYNZROCY-UHFFFAOYSA-N -1 3 379.382 3.200 20 0 GGADHM COc1ccccc1COC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000180460894 1429874719 /nfs/dbraw/zinc/87/47/19/1429874719.db2.gz KXPNLTQXHBSEIM-UHFFFAOYSA-N -1 3 388.439 3.431 20 0 GGADHM CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000180576081 1429906191 /nfs/dbraw/zinc/90/61/91/1429906191.db2.gz SEGHODYHSWXYFJ-UHFFFAOYSA-N -1 3 396.365 3.242 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000820676379 1429913941 /nfs/dbraw/zinc/91/39/41/1429913941.db2.gz MMNDNFKWNKAIKY-UPRAQXHNSA-N -1 3 379.464 3.281 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737648657 1429924495 /nfs/dbraw/zinc/92/44/95/1429924495.db2.gz INXLYSGZICINFW-NSHDSACASA-N -1 3 395.364 3.127 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737648657 1429924499 /nfs/dbraw/zinc/92/44/99/1429924499.db2.gz INXLYSGZICINFW-NSHDSACASA-N -1 3 395.364 3.127 20 0 GGADHM CCN(CC)C(=O)CCC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000180636368 1429946612 /nfs/dbraw/zinc/94/66/12/1429946612.db2.gz JBJTZGVEUPRAFU-UHFFFAOYSA-N -1 3 383.492 3.029 20 0 GGADHM C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824537241 1430001547 /nfs/dbraw/zinc/00/15/47/1430001547.db2.gz CLKGISVWHXGHAJ-ZLIFDBKOSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824537241 1430001552 /nfs/dbraw/zinc/00/15/52/1430001552.db2.gz CLKGISVWHXGHAJ-ZLIFDBKOSA-N -1 3 391.397 3.052 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000180744152 1430013049 /nfs/dbraw/zinc/01/30/49/1430013049.db2.gz VROZYEXKQQMBSM-NVXWUHKLSA-N -1 3 389.370 3.360 20 0 GGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1cc(Br)ccc1Cl ZINC000180761553 1430024208 /nfs/dbraw/zinc/02/42/08/1430024208.db2.gz MLQLYGJCSNZWKW-LLVKDONJSA-N -1 3 382.707 3.340 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(=O)[nH]c(C(C)C)c3)c2)n1 ZINC000180785871 1430038346 /nfs/dbraw/zinc/03/83/46/1430038346.db2.gz XYCYZIBZOSZQHB-UHFFFAOYSA-N -1 3 378.432 3.476 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Nc2ccccc2)c(C)o1 ZINC000180804349 1430050612 /nfs/dbraw/zinc/05/06/12/1430050612.db2.gz RGHPLEBBGFHUDB-UHFFFAOYSA-N -1 3 385.445 3.492 20 0 GGADHM c1ccc([C@@H]2CN(CCCOc3ccc(-c4nn[n-]n4)cc3)CCS2)cc1 ZINC000738428976 1430052300 /nfs/dbraw/zinc/05/23/00/1430052300.db2.gz QTCQLJZGUJZTNH-IBGZPJMESA-N -1 3 381.505 3.426 20 0 GGADHM c1ccc([C@@H]2CN(CCCOc3ccc(-c4nnn[n-]4)cc3)CCS2)cc1 ZINC000738428976 1430052307 /nfs/dbraw/zinc/05/23/07/1430052307.db2.gz QTCQLJZGUJZTNH-IBGZPJMESA-N -1 3 381.505 3.426 20 0 GGADHM Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000180856225 1430072078 /nfs/dbraw/zinc/07/20/78/1430072078.db2.gz RZTDEXISKNLLMP-UHFFFAOYSA-N -1 3 396.468 3.219 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820642745 1430079232 /nfs/dbraw/zinc/07/92/32/1430079232.db2.gz LGEUDJMSFXAIDJ-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820642745 1430079238 /nfs/dbraw/zinc/07/92/38/1430079238.db2.gz LGEUDJMSFXAIDJ-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627595 1430083382 /nfs/dbraw/zinc/08/33/82/1430083382.db2.gz ZMZXVPOXEYWZBM-CYBMUJFWSA-N -1 3 377.427 3.257 20 0 GGADHM C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627595 1430083385 /nfs/dbraw/zinc/08/33/85/1430083385.db2.gz ZMZXVPOXEYWZBM-CYBMUJFWSA-N -1 3 377.427 3.257 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1[O-] ZINC000180886863 1430090003 /nfs/dbraw/zinc/09/00/03/1430090003.db2.gz ZVUIMPBGMYKGGW-LBPRGKRZSA-N -1 3 399.369 3.102 20 0 GGADHM COc1cc(CN(C)Cc2cc(F)ccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821711997 1430101290 /nfs/dbraw/zinc/10/12/90/1430101290.db2.gz BWTVIABKJSLJDM-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM COc1cc(CN(C)Cc2cc(F)ccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821711997 1430101293 /nfs/dbraw/zinc/10/12/93/1430101293.db2.gz BWTVIABKJSLJDM-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM c1ccc(-c2noc(C3CCN(Cc4cccc(-c5nnn[n-]5)c4)CC3)n2)cc1 ZINC000738427611 1430119299 /nfs/dbraw/zinc/11/92/99/1430119299.db2.gz YELYPKMDHXCIPH-UHFFFAOYSA-N -1 3 387.447 3.296 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)[n-]n1 ZINC000180932456 1430122298 /nfs/dbraw/zinc/12/22/98/1430122298.db2.gz ZQOZNUZHIXAWPL-UHFFFAOYSA-N -1 3 388.811 3.466 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n[n-]1 ZINC000180932456 1430122304 /nfs/dbraw/zinc/12/23/04/1430122304.db2.gz ZQOZNUZHIXAWPL-UHFFFAOYSA-N -1 3 388.811 3.466 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000180977534 1430148286 /nfs/dbraw/zinc/14/82/86/1430148286.db2.gz OPZUOYAXNZBRKE-ZDUSSCGKSA-N -1 3 390.546 3.116 20 0 GGADHM C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820403110 1430158364 /nfs/dbraw/zinc/15/83/64/1430158364.db2.gz HUKDCSKDHAUVRY-CYBMUJFWSA-N -1 3 390.447 3.166 20 0 GGADHM C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820403110 1430158366 /nfs/dbraw/zinc/15/83/66/1430158366.db2.gz HUKDCSKDHAUVRY-CYBMUJFWSA-N -1 3 390.447 3.166 20 0 GGADHM C[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824563357 1430187184 /nfs/dbraw/zinc/18/71/84/1430187184.db2.gz NEPYENOKAFFTMX-SNVBAGLBSA-N -1 3 391.262 3.463 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)c(C)c1F ZINC000181148455 1430226903 /nfs/dbraw/zinc/22/69/03/1430226903.db2.gz NKVPBINMYVGWPA-CYBMUJFWSA-N -1 3 394.468 3.169 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1N1CCOCC1 ZINC000181182080 1430240562 /nfs/dbraw/zinc/24/05/62/1430240562.db2.gz JMFGRBPHPSTHAE-UHFFFAOYSA-N -1 3 391.880 3.158 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1N1CCOCC1 ZINC000181181595 1430240611 /nfs/dbraw/zinc/24/06/11/1430240611.db2.gz QZPZNBZRIWFEEN-UHFFFAOYSA-N -1 3 384.860 3.425 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)c(C)c1F ZINC000181187627 1430242265 /nfs/dbraw/zinc/24/22/65/1430242265.db2.gz VDDMVCSZUMFHEB-UHFFFAOYSA-N -1 3 394.468 3.089 20 0 GGADHM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([O-])cc2F)CC1 ZINC000181197036 1430245703 /nfs/dbraw/zinc/24/57/03/1430245703.db2.gz NYSLQVIHHGBQDF-CQSZACIVSA-N -1 3 389.446 3.303 20 0 GGADHM C[C@@H](CCCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000181299913 1430266807 /nfs/dbraw/zinc/26/68/07/1430266807.db2.gz IENOLUSARPGVEC-SFHVURJKSA-N -1 3 380.488 3.336 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000181341875 1430277731 /nfs/dbraw/zinc/27/77/31/1430277731.db2.gz SXFBWQBBJNSETL-UHFFFAOYSA-N -1 3 383.477 3.163 20 0 GGADHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000181344124 1430278491 /nfs/dbraw/zinc/27/84/91/1430278491.db2.gz AOWQFSZNIYBXEP-HNNXBMFYSA-N -1 3 383.276 3.235 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@@H]1CCCCO1 ZINC000181371835 1430283539 /nfs/dbraw/zinc/28/35/39/1430283539.db2.gz QSHXUAROEOUSGK-LEWJYISDSA-N -1 3 396.487 3.329 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@@H]1CCCCO1 ZINC000181371851 1430283978 /nfs/dbraw/zinc/28/39/78/1430283978.db2.gz QSHXUAROEOUSGK-SFTDATJTSA-N -1 3 396.487 3.329 20 0 GGADHM CC(C)c1ccc(NC(=O)C(=O)NN=c2ccc(Cl)n[n-]2)c(C(C)C)c1 ZINC000181399189 1430288821 /nfs/dbraw/zinc/28/88/21/1430288821.db2.gz UODCKHLDYRBAGR-UHFFFAOYSA-N -1 3 375.860 3.459 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C([O-])=C(C#N)c3ccccn3)cn2)C1 ZINC000181484915 1430308742 /nfs/dbraw/zinc/30/87/42/1430308742.db2.gz NQFKAXXJHXIAQQ-IRXDYDNUSA-N -1 3 395.463 3.340 20 0 GGADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc21 ZINC000181669375 1430338542 /nfs/dbraw/zinc/33/85/42/1430338542.db2.gz ZZHGCFXMSGAXAM-UHFFFAOYSA-N -1 3 396.415 3.040 20 0 GGADHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1C ZINC000181672625 1430339499 /nfs/dbraw/zinc/33/94/99/1430339499.db2.gz INUPIWVMKFKCAE-UHFFFAOYSA-N -1 3 384.404 3.398 20 0 GGADHM Cc1cc(C(=O)NN=c2cccn[n-]2)c(C)n1-c1ccccc1Br ZINC000181680310 1430340475 /nfs/dbraw/zinc/34/04/75/1430340475.db2.gz YGTZDPAKXHKKPZ-UHFFFAOYSA-N -1 3 386.253 3.404 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)[n-]n1 ZINC000181751438 1430352175 /nfs/dbraw/zinc/35/21/75/1430352175.db2.gz ZVXMTUMNWDOTAD-UHFFFAOYSA-N -1 3 377.400 3.378 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)n[n-]1 ZINC000181751438 1430352177 /nfs/dbraw/zinc/35/21/77/1430352177.db2.gz ZVXMTUMNWDOTAD-UHFFFAOYSA-N -1 3 377.400 3.378 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1ccccc1NC(=O)c1ccccc1)c2[O-] ZINC000181780148 1430358403 /nfs/dbraw/zinc/35/84/03/1430358403.db2.gz VFCQHTAKKISHDB-UHFFFAOYSA-N -1 3 387.399 3.179 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nnnn3C3CC3)c2)c(C)c1 ZINC000181799248 1430362790 /nfs/dbraw/zinc/36/27/90/1430362790.db2.gz BOXIPRXUIRUJMU-UHFFFAOYSA-N -1 3 399.476 3.101 20 0 GGADHM Cc1ccc(C[C@H](C)C(=O)NN=c2[n-]c(Br)cn3ccnc23)cc1 ZINC000181802629 1430363697 /nfs/dbraw/zinc/36/36/97/1430363697.db2.gz FUVGYNYWGIWOBQ-LBPRGKRZSA-N -1 3 388.269 3.122 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(OC(F)F)c3ncccc13)c2[O-] ZINC000181831901 1430369252 /nfs/dbraw/zinc/36/92/52/1430369252.db2.gz ZMUNLNWLLOMZAE-UHFFFAOYSA-N -1 3 385.330 3.076 20 0 GGADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000181832990 1430369273 /nfs/dbraw/zinc/36/92/73/1430369273.db2.gz OZNARYBNMXYBAV-UHFFFAOYSA-N -1 3 390.321 3.315 20 0 GGADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000181832990 1430369278 /nfs/dbraw/zinc/36/92/78/1430369278.db2.gz OZNARYBNMXYBAV-UHFFFAOYSA-N -1 3 390.321 3.315 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)n[n-]2)o1 ZINC000181876050 1430375786 /nfs/dbraw/zinc/37/57/86/1430375786.db2.gz KXUOSIOORYDMMI-MRXNPFEDSA-N -1 3 395.463 3.465 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)n[n-]2)o1 ZINC000181883552 1430377550 /nfs/dbraw/zinc/37/75/50/1430377550.db2.gz ZJNBDBNAPAPYAU-BBRMVZONSA-N -1 3 399.838 3.185 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)n[n-]2)o1 ZINC000181888397 1430378415 /nfs/dbraw/zinc/37/84/15/1430378415.db2.gz XEYIMEKKVMLJRC-OAQYLSRUSA-N -1 3 393.447 3.254 20 0 GGADHM Cc1cc(C)cc(CCC(=O)NN=c2[n-]c(Br)cn3ccnc23)c1 ZINC000181895886 1430379572 /nfs/dbraw/zinc/37/95/72/1430379572.db2.gz KMIPYHUGDKAMOU-UHFFFAOYSA-N -1 3 388.269 3.185 20 0 GGADHM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3C)c2C1 ZINC000182016140 1430396924 /nfs/dbraw/zinc/39/69/24/1430396924.db2.gz KVKBRNOAYUJZGP-UHFFFAOYSA-N -1 3 390.505 3.157 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c(=O)[n-]1 ZINC000182048057 1430402047 /nfs/dbraw/zinc/40/20/47/1430402047.db2.gz ZIUROPNTYFYAMB-UHFFFAOYSA-N -1 3 387.443 3.297 20 0 GGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000182053244 1430402629 /nfs/dbraw/zinc/40/26/29/1430402629.db2.gz BCTXYXIRAMXNBO-IRXDYDNUSA-N -1 3 386.496 3.264 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000182142350 1430419122 /nfs/dbraw/zinc/41/91/22/1430419122.db2.gz MARBRGXNHOFCIV-UHFFFAOYSA-N -1 3 386.814 3.138 20 0 GGADHM COCCC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000182201701 1430429065 /nfs/dbraw/zinc/42/90/65/1430429065.db2.gz BTAQDHIVNUADMG-CYBMUJFWSA-N -1 3 382.888 3.285 20 0 GGADHM CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(O)cc2[O-])CC1)c1ccccc1 ZINC000182273892 1430441184 /nfs/dbraw/zinc/44/11/84/1430441184.db2.gz TVCWOINJMDMTQI-SFHVURJKSA-N -1 3 382.460 3.012 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cn(C)nc2-c2ccccc2)c(F)cc1F ZINC000182326315 1430448958 /nfs/dbraw/zinc/44/89/58/1430448958.db2.gz MIGNFUHGFLIOQM-UHFFFAOYSA-N -1 3 377.416 3.152 20 0 GGADHM CN(C[C@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12)C(=O)OC(C)(C)C ZINC000182371433 1430454606 /nfs/dbraw/zinc/45/46/06/1430454606.db2.gz LLPMKGSLASPNFX-OAHLLOKOSA-N -1 3 388.464 3.330 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000182388488 1430457904 /nfs/dbraw/zinc/45/79/04/1430457904.db2.gz SBAIVGSZGMUJGU-ZYHUDNBSSA-N -1 3 394.415 3.221 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F ZINC000182404833 1430461518 /nfs/dbraw/zinc/46/15/18/1430461518.db2.gz QUQCWDMEROPAOA-UHFFFAOYSA-N -1 3 376.312 3.130 20 0 GGADHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182496424 1430477890 /nfs/dbraw/zinc/47/78/90/1430477890.db2.gz JZHZGADKOCBGEE-UHFFFAOYSA-N -1 3 391.286 3.294 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccnc1Br ZINC000182539061 1430486503 /nfs/dbraw/zinc/48/65/03/1430486503.db2.gz IVECOIYSKFLEBS-UHFFFAOYSA-N -1 3 387.303 3.114 20 0 GGADHM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC000182568656 1430494582 /nfs/dbraw/zinc/49/45/82/1430494582.db2.gz KVYCUPUNKBLAHI-MRXNPFEDSA-N -1 3 378.350 3.033 20 0 GGADHM O=C([N-]CCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000182618570 1430503714 /nfs/dbraw/zinc/50/37/14/1430503714.db2.gz GFFMIBXJZYXECL-CYBMUJFWSA-N -1 3 384.320 3.147 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000182674939 1430515019 /nfs/dbraw/zinc/51/50/19/1430515019.db2.gz JTJJHNOFLWPHAV-UHFFFAOYSA-N -1 3 389.175 3.252 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)o1 ZINC000182701010 1430521063 /nfs/dbraw/zinc/52/10/63/1430521063.db2.gz REZYYIGMBILHAO-OAHLLOKOSA-N -1 3 389.420 3.152 20 0 GGADHM COc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1OCc1cccnc1 ZINC000182710651 1430523855 /nfs/dbraw/zinc/52/38/55/1430523855.db2.gz VTKDKLPAMHJZES-UHFFFAOYSA-N -1 3 375.388 3.193 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OCC(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000182715033 1430524822 /nfs/dbraw/zinc/52/48/22/1430524822.db2.gz WAWVNHLMPAUSSA-SNVBAGLBSA-N -1 3 389.424 3.051 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(OCC(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000182715015 1430524862 /nfs/dbraw/zinc/52/48/62/1430524862.db2.gz WAWVNHLMPAUSSA-JTQLQIEISA-N -1 3 389.424 3.051 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1cc(F)ccc1F ZINC000182745190 1430531994 /nfs/dbraw/zinc/53/19/94/1430531994.db2.gz ZWQJDRQGUOECHO-UHFFFAOYSA-N -1 3 388.143 3.333 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2F)c([O-])c1 ZINC000182750166 1430532963 /nfs/dbraw/zinc/53/29/63/1430532963.db2.gz WSSOPLDLNMQSHM-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM Cc1cc(NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000182750761 1430533139 /nfs/dbraw/zinc/53/31/39/1430533139.db2.gz JPUPILCEHPJLKA-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c1[O-] ZINC000182800495 1430542302 /nfs/dbraw/zinc/54/23/02/1430542302.db2.gz RIRMJNVROZGXTP-UHFFFAOYSA-N -1 3 376.840 3.139 20 0 GGADHM CC(C)(O)[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182856143 1430554845 /nfs/dbraw/zinc/55/48/45/1430554845.db2.gz QBSXSNFYQPLULD-WOJBJXKFSA-N -1 3 396.487 3.015 20 0 GGADHM Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182860648 1430555381 /nfs/dbraw/zinc/55/53/81/1430555381.db2.gz YYBSTDJUSDHPEO-UHFFFAOYSA-N -1 3 384.823 3.071 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2C)n1 ZINC000182870531 1430558038 /nfs/dbraw/zinc/55/80/38/1430558038.db2.gz REGSWAHHHYKZND-HNNXBMFYSA-N -1 3 392.390 3.290 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 ZINC000182876617 1430559447 /nfs/dbraw/zinc/55/94/47/1430559447.db2.gz NMEJRYDXIPLORX-UHFFFAOYSA-N -1 3 385.811 3.332 20 0 GGADHM CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)cc1[O-] ZINC000182877049 1430560077 /nfs/dbraw/zinc/56/00/77/1430560077.db2.gz AIQNYFBCOSGNSF-SJPCQFCGSA-N -1 3 380.444 3.006 20 0 GGADHM CC(C)OCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182926214 1430573657 /nfs/dbraw/zinc/57/36/57/1430573657.db2.gz UWYQBYWJXKOSDU-HXUWFJFHSA-N -1 3 384.476 3.185 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1nc(C)cs1 ZINC000182964056 1430581796 /nfs/dbraw/zinc/58/17/96/1430581796.db2.gz PYQPVPNRGBOVHE-OAHLLOKOSA-N -1 3 387.458 3.411 20 0 GGADHM CC(C)(C)[C@@H](CCO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182981346 1430584999 /nfs/dbraw/zinc/58/49/99/1430584999.db2.gz GKTFJSHLXCBQSE-WOJBJXKFSA-N -1 3 398.503 3.167 20 0 GGADHM Cn1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(C2CCCCC2)n1 ZINC000183004232 1430590351 /nfs/dbraw/zinc/59/03/51/1430590351.db2.gz RPDHBEAYDSVNRG-UHFFFAOYSA-N -1 3 382.508 3.131 20 0 GGADHM CCCc1c(NC(=O)c2nnc3ccccc3c2[O-])cnn1-c1cccc(F)c1 ZINC000183033464 1430597538 /nfs/dbraw/zinc/59/75/38/1430597538.db2.gz RXPRJFXKNSFAQM-UHFFFAOYSA-N -1 3 391.406 3.453 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000183037170 1430598132 /nfs/dbraw/zinc/59/81/32/1430598132.db2.gz YFAVWORSCRMGLF-UHFFFAOYSA-N -1 3 381.379 3.077 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccnc1 ZINC000183059113 1430602495 /nfs/dbraw/zinc/60/24/95/1430602495.db2.gz CIJRSOQNCVZFLY-NRFANRHFSA-N -1 3 389.455 3.007 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)c3ccccc32)ccc1F ZINC000183167691 1430636775 /nfs/dbraw/zinc/63/67/75/1430636775.db2.gz TZFSSEUABLCOSM-CYBMUJFWSA-N -1 3 376.453 3.278 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1nc(C2CC2)cs1 ZINC000183228538 1430653184 /nfs/dbraw/zinc/65/31/84/1430653184.db2.gz MSCURYOMKJGHJT-UHFFFAOYSA-N -1 3 399.245 3.389 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000183291587 1430670969 /nfs/dbraw/zinc/67/09/69/1430670969.db2.gz YGZGJDYXLWXCTL-LSTHTHJFSA-N -1 3 389.411 3.009 20 0 GGADHM COc1ccccc1CC(=O)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000183331716 1430681293 /nfs/dbraw/zinc/68/12/93/1430681293.db2.gz AXRDIRZZSOZZSA-UHFFFAOYSA-N -1 3 397.656 3.115 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183342329 1430683220 /nfs/dbraw/zinc/68/32/20/1430683220.db2.gz XXCYVAOJFLRERU-SFHVURJKSA-N -1 3 378.432 3.232 20 0 GGADHM CCOC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183355798 1430687419 /nfs/dbraw/zinc/68/74/19/1430687419.db2.gz KSSPXQXZCHJPIF-OAQYLSRUSA-N -1 3 396.487 3.281 20 0 GGADHM CCN(C[C@@H]1CCCO1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183367796 1430692173 /nfs/dbraw/zinc/69/21/73/1430692173.db2.gz RGPUUNLEBYQHHR-SFTDATJTSA-N -1 3 396.487 3.281 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnc(C)nc3C)cc2)cc1 ZINC000183381704 1430696016 /nfs/dbraw/zinc/69/60/16/1430696016.db2.gz DARKEHXNKHGYJG-UHFFFAOYSA-N -1 3 396.472 3.455 20 0 GGADHM Cc1noc(C)c1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183412097 1430704675 /nfs/dbraw/zinc/70/46/75/1430704675.db2.gz BIVCIKZQMOSBIR-FQEVSTJZSA-N -1 3 393.443 3.175 20 0 GGADHM Cc1cnccc1NC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000183446535 1430713983 /nfs/dbraw/zinc/71/39/83/1430713983.db2.gz CIPDGPSXROHBHF-UHFFFAOYSA-N -1 3 383.633 3.272 20 0 GGADHM Cc1ccc(NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000183530716 1430735745 /nfs/dbraw/zinc/73/57/45/1430735745.db2.gz HPZNNPLOAPJTQV-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000183583461 1430746937 /nfs/dbraw/zinc/74/69/37/1430746937.db2.gz BTWZSIJXEVWFFF-UHFFFAOYSA-N -1 3 377.429 3.453 20 0 GGADHM CC[C@@H](C)CN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183598954 1430751378 /nfs/dbraw/zinc/75/13/78/1430751378.db2.gz WSUMBWGPDBVOQP-GFCCVEGCSA-N -1 3 375.494 3.456 20 0 GGADHM CN(C[C@@H]1CCCOC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183716659 1430779678 /nfs/dbraw/zinc/77/96/78/1430779678.db2.gz NXQFYKMSQRHTLD-LAUBAEHRSA-N -1 3 396.487 3.138 20 0 GGADHM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000183733359 1430783223 /nfs/dbraw/zinc/78/32/23/1430783223.db2.gz POUDKAGWEGUGCO-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)[N-]NC(=O)c1cccc(Cl)c1 ZINC000183735365 1430783654 /nfs/dbraw/zinc/78/36/54/1430783654.db2.gz WKJCCPYFSRJBEO-UHFFFAOYSA-N -1 3 399.756 3.067 20 0 GGADHM Cc1ccc(NC(=O)C(=O)[N-]NC(=O)c2cccc(Cl)c2)cc1C(F)(F)F ZINC000183743823 1430785446 /nfs/dbraw/zinc/78/54/46/1430785446.db2.gz VDMXKUMUVBERIM-UHFFFAOYSA-N -1 3 399.756 3.067 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3F)ccc1F ZINC000183762089 1430788675 /nfs/dbraw/zinc/78/86/75/1430788675.db2.gz HSULIKLMNBZBOC-UHFFFAOYSA-N -1 3 394.443 3.245 20 0 GGADHM Cc1noc(C)c1CSc1ncccc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183824867 1430801701 /nfs/dbraw/zinc/80/17/01/1430801701.db2.gz VSFHXDZHSFZIEC-UHFFFAOYSA-N -1 3 394.456 3.280 20 0 GGADHM O=C([O-])c1ccccc1OCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000183915186 1430812858 /nfs/dbraw/zinc/81/28/58/1430812858.db2.gz MXXHAVAXEDSRLJ-UHFFFAOYSA-N -1 3 394.471 3.320 20 0 GGADHM CC[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000183979824 1430822357 /nfs/dbraw/zinc/82/23/57/1430822357.db2.gz SETYQPVBBKDYIZ-ZBFHGGJFSA-N -1 3 394.899 3.428 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccc2c(c1)CCCC2 ZINC000183993499 1430825500 /nfs/dbraw/zinc/82/55/00/1430825500.db2.gz MKJUJDNKNZLXEG-CABCVRRESA-N -1 3 387.501 3.311 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cncc(C)c3)cs2)c1 ZINC000184008387 1430828172 /nfs/dbraw/zinc/82/81/72/1430828172.db2.gz CCJZTVBSBBUPHC-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM Cc1cnc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000184013911 1430828985 /nfs/dbraw/zinc/82/89/85/1430828985.db2.gz RGVJTUABQFKJFQ-SFHVURJKSA-N -1 3 395.484 3.335 20 0 GGADHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)ccc21 ZINC000184023353 1430830821 /nfs/dbraw/zinc/83/08/21/1430830821.db2.gz HVTDPCIJHHDMIP-ZDUSSCGKSA-N -1 3 386.473 3.110 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(Cl)c(F)c2)o1 ZINC000184075117 1430837907 /nfs/dbraw/zinc/83/79/07/1430837907.db2.gz RLODSESXJZCJPL-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM COCCOc1ccc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000184114584 1430843053 /nfs/dbraw/zinc/84/30/53/1430843053.db2.gz HPWKEIRGOQILJO-UHFFFAOYSA-N -1 3 394.456 3.285 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccc(C)c(C)c1 ZINC000184258346 1430863509 /nfs/dbraw/zinc/86/35/09/1430863509.db2.gz SELZZNKAZJVUSB-LJQANCHMSA-N -1 3 384.457 3.044 20 0 GGADHM Cc1ccnc(NC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c1 ZINC000184259088 1430863752 /nfs/dbraw/zinc/86/37/52/1430863752.db2.gz ASJNJKRIVYNGQW-UHFFFAOYSA-N -1 3 383.633 3.272 20 0 GGADHM Cc1ccc(NC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)nc1 ZINC000184266910 1430865006 /nfs/dbraw/zinc/86/50/06/1430865006.db2.gz MSCZFGHZNVGZGY-UHFFFAOYSA-N -1 3 383.633 3.272 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1c(C)oc2ccccc21 ZINC000184329830 1430873629 /nfs/dbraw/zinc/87/36/29/1430873629.db2.gz VZUDIBXPFQEMBD-UHFFFAOYSA-N -1 3 377.393 3.145 20 0 GGADHM CC[C@@H](NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1nc(C)cs1 ZINC000184394287 1430882616 /nfs/dbraw/zinc/88/26/16/1430882616.db2.gz TUSZRSJWUKSMGR-SNVBAGLBSA-N -1 3 392.506 3.085 20 0 GGADHM COCCOc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(Cl)c1 ZINC000184485034 1430893300 /nfs/dbraw/zinc/89/33/00/1430893300.db2.gz QRVGFZUNOPMACA-UHFFFAOYSA-N -1 3 376.800 3.304 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cn1 ZINC000184549286 1430902436 /nfs/dbraw/zinc/90/24/36/1430902436.db2.gz IKYKRNHVEQSKQD-UHFFFAOYSA-N -1 3 399.838 3.119 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184686625 1430942677 /nfs/dbraw/zinc/94/26/77/1430942677.db2.gz RYZOXAXVTFQLBI-MNOVXSKESA-N -1 3 384.379 3.218 20 0 GGADHM CCOCCO[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000184762159 1430969899 /nfs/dbraw/zinc/96/98/99/1430969899.db2.gz XTSDJSVJPBBDKI-UHFFFAOYSA-N -1 3 397.269 3.429 20 0 GGADHM Cc1c(Br)cccc1NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000184783916 1430976732 /nfs/dbraw/zinc/97/67/32/1430976732.db2.gz KHAWKHQZXIMCHX-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)cc1Cl ZINC000184792531 1430979067 /nfs/dbraw/zinc/97/90/67/1430979067.db2.gz PJHQLGOCJLHFRP-UHFFFAOYSA-N -1 3 380.882 3.443 20 0 GGADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184878498 1431010198 /nfs/dbraw/zinc/01/01/98/1431010198.db2.gz BJZKWKHFOPGOQL-NSHDSACASA-N -1 3 387.379 3.320 20 0 GGADHM N#Cc1cc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)ccc1F ZINC000184880498 1431010889 /nfs/dbraw/zinc/01/08/89/1431010889.db2.gz OVEQXSPYKWYBPQ-UHFFFAOYSA-N -1 3 395.163 3.065 20 0 GGADHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000184901972 1431017306 /nfs/dbraw/zinc/01/73/06/1431017306.db2.gz RIPAIWKRGAYWEQ-NSHDSACASA-N -1 3 383.330 3.116 20 0 GGADHM CC[C@@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCN1Cc1ccccc1 ZINC000184913517 1431019772 /nfs/dbraw/zinc/01/97/72/1431019772.db2.gz ZTKAWSHWHROHGO-GOSISDBHSA-N -1 3 396.535 3.112 20 0 GGADHM CC(C)(C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1F ZINC000184956873 1431030364 /nfs/dbraw/zinc/03/03/64/1431030364.db2.gz KBMZSRQVOPYJIE-UHFFFAOYSA-N -1 3 378.831 3.009 20 0 GGADHM Cc1oc(C)c(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1C(=O)[O-] ZINC000184997659 1431038433 /nfs/dbraw/zinc/03/84/33/1431038433.db2.gz LEFCPAWKMQWRBS-GFCCVEGCSA-N -1 3 394.493 3.002 20 0 GGADHM Cc1oc(C)c(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1C(=O)[O-] ZINC000184997639 1431038569 /nfs/dbraw/zinc/03/85/69/1431038569.db2.gz LEFCPAWKMQWRBS-LBPRGKRZSA-N -1 3 394.493 3.002 20 0 GGADHM COCCC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000185029863 1431044705 /nfs/dbraw/zinc/04/47/05/1431044705.db2.gz YTMCNYBVTHGZOJ-FQEVSTJZSA-N -1 3 398.503 3.432 20 0 GGADHM COC(=O)c1sccc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000185043334 1431047849 /nfs/dbraw/zinc/04/78/49/1431047849.db2.gz CDLSWYATMUBZBK-UHFFFAOYSA-N -1 3 376.365 3.493 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(N(C)C)nc4ccccc43)nc21 ZINC000185064616 1431052816 /nfs/dbraw/zinc/05/28/16/1431052816.db2.gz XWESVIOKXNRQOB-UHFFFAOYSA-N -1 3 389.415 3.216 20 0 GGADHM CCCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)CC1 ZINC000185123430 1431066092 /nfs/dbraw/zinc/06/60/92/1431066092.db2.gz XKQUZMRCJQQCKK-UHFFFAOYSA-N -1 3 382.526 3.003 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000185125090 1431066767 /nfs/dbraw/zinc/06/67/67/1431066767.db2.gz IKTQPZNYXIGZDU-QGZVFWFLSA-N -1 3 394.537 3.147 20 0 GGADHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000185130641 1431068331 /nfs/dbraw/zinc/06/83/31/1431068331.db2.gz ZQTBCBGKIJKUPW-UHFFFAOYSA-N -1 3 383.395 3.204 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCOC(C)C)c2)cc1 ZINC000185192122 1431081360 /nfs/dbraw/zinc/08/13/60/1431081360.db2.gz VVGWDXRSLZMSDX-UHFFFAOYSA-N -1 3 390.505 3.259 20 0 GGADHM CCSCc1cc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)no1 ZINC000185239698 1431091839 /nfs/dbraw/zinc/09/18/39/1431091839.db2.gz GHJODYWSXFRAOW-UHFFFAOYSA-N -1 3 384.461 3.493 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cccc4c3OCO4)c2)n1 ZINC000185239788 1431091962 /nfs/dbraw/zinc/09/19/62/1431091962.db2.gz PVXQTCONNZAHIJ-UHFFFAOYSA-N -1 3 391.427 3.299 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000185529456 1431164956 /nfs/dbraw/zinc/16/49/56/1431164956.db2.gz OYMSKUSFGZCTGK-YJBOKZPZSA-N -1 3 395.390 3.366 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000185594830 1431179853 /nfs/dbraw/zinc/17/98/53/1431179853.db2.gz WCAINYWLTULZJO-UHFFFAOYSA-N -1 3 388.336 3.292 20 0 GGADHM Cc1ccc(C(=O)c2c([N-]C(=O)c3cnsn3)sc3c2CCN(C)C3)cc1 ZINC000185628707 1431188515 /nfs/dbraw/zinc/18/85/15/1431188515.db2.gz QCBXUVRCLZRDFF-UHFFFAOYSA-N -1 3 398.513 3.379 20 0 GGADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185688823 1431206545 /nfs/dbraw/zinc/20/65/45/1431206545.db2.gz QWLPGKNBRBKBJG-XVDDLASSSA-N -1 3 377.227 3.456 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccco2)CC(F)(F)F)c([O-])c1 ZINC000185710202 1431212384 /nfs/dbraw/zinc/21/23/84/1431212384.db2.gz LIHYECBLVQMLHR-UHFFFAOYSA-N -1 3 384.354 3.005 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCO[C@H]1c1ccccc1 ZINC000185802101 1431239295 /nfs/dbraw/zinc/23/92/95/1431239295.db2.gz MQQGVLBRHRRVEO-UTKZUKDTSA-N -1 3 380.444 3.117 20 0 GGADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(OC(F)F)n(C)n3)s2)c1 ZINC000185807844 1431240996 /nfs/dbraw/zinc/24/09/96/1431240996.db2.gz FBCZTASOHBJXQC-UHFFFAOYSA-N -1 3 379.392 3.409 20 0 GGADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000185856179 1431253156 /nfs/dbraw/zinc/25/31/56/1431253156.db2.gz FCIZQHPAHZQFPE-IYCSXQJISA-N -1 3 377.227 3.456 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F ZINC000185883982 1431262827 /nfs/dbraw/zinc/26/28/27/1431262827.db2.gz IXWGKSJKQBJOCX-MNOVXSKESA-N -1 3 386.732 3.461 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185957577 1431296359 /nfs/dbraw/zinc/29/63/59/1431296359.db2.gz GJLJCIJTOXURFX-HNNXBMFYSA-N -1 3 389.883 3.243 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1noc(-c2ccccc2)n1 ZINC000185965587 1431299903 /nfs/dbraw/zinc/29/99/03/1431299903.db2.gz DQRPKGLJIJTEGC-GFCCVEGCSA-N -1 3 384.417 3.058 20 0 GGADHM Cc1c(-c2cc(CO[N-]C(=O)Cc3cccc4ccccc43)on2)cnn1C ZINC000186100289 1431330102 /nfs/dbraw/zinc/33/01/02/1431330102.db2.gz NDTOOEQJBOOACS-UHFFFAOYSA-N -1 3 376.416 3.327 20 0 GGADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000186200268 1431350985 /nfs/dbraw/zinc/35/09/85/1431350985.db2.gz UONZLGUXRQYDFF-CQSZACIVSA-N -1 3 390.390 3.325 20 0 GGADHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000186203597 1431351875 /nfs/dbraw/zinc/35/18/75/1431351875.db2.gz WQTUKDJGOXVFTG-RISCZKNCSA-N -1 3 390.390 3.496 20 0 GGADHM CC(=O)c1ccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000186356687 1431390976 /nfs/dbraw/zinc/39/09/76/1431390976.db2.gz AUHLUNWCILBCJK-UHFFFAOYSA-N -1 3 394.200 3.257 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)Nc2cccc(C)c2)c1 ZINC000186368327 1431393609 /nfs/dbraw/zinc/39/36/09/1431393609.db2.gz QHXKAXJZXJZKJX-UHFFFAOYSA-N -1 3 378.226 3.233 20 0 GGADHM Cc1ccc(-c2c[nH]cc2C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000186410047 1431406586 /nfs/dbraw/zinc/40/65/86/1431406586.db2.gz VOZWPAIJYREKAC-UHFFFAOYSA-N -1 3 395.484 3.355 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC000186415779 1431410419 /nfs/dbraw/zinc/41/04/19/1431410419.db2.gz ZBMSMRQLONAEHO-UHFFFAOYSA-N -1 3 396.462 3.229 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)Nc2ccccc2F)c1 ZINC000186423631 1431414410 /nfs/dbraw/zinc/41/44/10/1431414410.db2.gz RKNXCRINDHXUHF-UHFFFAOYSA-N -1 3 382.189 3.063 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])Nc1ccc(Cl)c(Br)c1 ZINC000186512197 1431443035 /nfs/dbraw/zinc/44/30/35/1431443035.db2.gz ZGYHPSLTNRALHI-UHFFFAOYSA-N -1 3 384.617 3.275 20 0 GGADHM N#CCOc1cccc(CC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC000186642206 1431478254 /nfs/dbraw/zinc/47/82/54/1431478254.db2.gz VCZJJEYXVJGSDZ-UHFFFAOYSA-N -1 3 393.212 3.281 20 0 GGADHM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)CCO2 ZINC000186644592 1431478963 /nfs/dbraw/zinc/47/89/63/1431478963.db2.gz YPEMTEQFZGCBAO-OAHLLOKOSA-N -1 3 387.379 3.305 20 0 GGADHM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)CCO2 ZINC000186644612 1431479077 /nfs/dbraw/zinc/47/90/77/1431479077.db2.gz YPEMTEQFZGCBAO-HNNXBMFYSA-N -1 3 387.379 3.305 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 ZINC000186837447 1431533517 /nfs/dbraw/zinc/53/35/17/1431533517.db2.gz YTIKUDGMVNSJSG-UHFFFAOYSA-N -1 3 387.436 3.327 20 0 GGADHM Cc1nc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000186837447 1431533527 /nfs/dbraw/zinc/53/35/27/1431533527.db2.gz YTIKUDGMVNSJSG-UHFFFAOYSA-N -1 3 387.436 3.327 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)[n-]c1-c1ccccc1 ZINC000186844002 1431536620 /nfs/dbraw/zinc/53/66/20/1431536620.db2.gz OHENBNJEODSKHS-LZWOXQAQSA-N -1 3 389.521 3.052 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2cccs2)[n-]c1-c1ccccc1 ZINC000186844108 1431536691 /nfs/dbraw/zinc/53/66/91/1431536691.db2.gz GJAMQUWJSJLOOG-LBPRGKRZSA-N -1 3 389.502 3.098 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@@H](C)c2cccs2)nc1-c1ccccc1 ZINC000186844108 1431536698 /nfs/dbraw/zinc/53/66/98/1431536698.db2.gz GJAMQUWJSJLOOG-LBPRGKRZSA-N -1 3 389.502 3.098 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)NC2CCC(C)CC2)[n-]c1-c1ccccc1 ZINC000186847954 1431538675 /nfs/dbraw/zinc/53/86/75/1431538675.db2.gz MSESWCZITZVMAD-GNHJJJEISA-N -1 3 389.521 3.242 20 0 GGADHM COC(=O)c1ccccc1CCS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186849765 1431539363 /nfs/dbraw/zinc/53/93/63/1431539363.db2.gz YBEQMNSAHAFTAQ-UHFFFAOYSA-N -1 3 384.457 3.188 20 0 GGADHM COC(=O)c1ccccc1CCS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186849765 1431539367 /nfs/dbraw/zinc/53/93/67/1431539367.db2.gz YBEQMNSAHAFTAQ-UHFFFAOYSA-N -1 3 384.457 3.188 20 0 GGADHM COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1 ZINC000186850976 1431539911 /nfs/dbraw/zinc/53/99/11/1431539911.db2.gz OLNFLDSIIZNIEZ-CQSZACIVSA-N -1 3 399.472 3.195 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cccc(F)c2)[n-]c1-c1ccccc1 ZINC000186853089 1431540743 /nfs/dbraw/zinc/54/07/43/1431540743.db2.gz PUUGWSGMFBCBJP-ZDUSSCGKSA-N -1 3 387.436 3.325 20 0 GGADHM C[C@@H]1CN(CCC2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)C[C@@H](C)O1 ZINC000186852824 1431541031 /nfs/dbraw/zinc/54/10/31/1431541031.db2.gz HKVACQOOZKSKHF-ZIAGYGMSSA-N -1 3 382.451 3.022 20 0 GGADHM CCOCCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000186942665 1431572869 /nfs/dbraw/zinc/57/28/69/1431572869.db2.gz WXSJAOXQRDQVED-UHFFFAOYSA-N -1 3 383.423 3.305 20 0 GGADHM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000187099841 1431615706 /nfs/dbraw/zinc/61/57/06/1431615706.db2.gz JYUZZTCLYSNYSW-YVEFUNNKSA-N -1 3 383.835 3.179 20 0 GGADHM O=C([N-]NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1ccc2ccccc2n1 ZINC000187236013 1431660252 /nfs/dbraw/zinc/66/02/52/1431660252.db2.gz FTFRKLXLIXLYAB-UHFFFAOYSA-N -1 3 397.847 3.415 20 0 GGADHM O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000187296832 1431685814 /nfs/dbraw/zinc/68/58/14/1431685814.db2.gz FRDLYXVFXPSOHQ-UHFFFAOYSA-N -1 3 391.353 3.066 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)C2CC2)s1 ZINC000187353233 1431706729 /nfs/dbraw/zinc/70/67/29/1431706729.db2.gz PUDZSUNTXWLIKX-MRXNPFEDSA-N -1 3 386.502 3.338 20 0 GGADHM COC(=O)Cc1sc(NC(=O)c2cccc3n[n-]nc32)nc1-c1ccccc1 ZINC000187444442 1431731975 /nfs/dbraw/zinc/73/19/75/1431731975.db2.gz OBSMWGINVXTELI-UHFFFAOYSA-N -1 3 393.428 3.049 20 0 GGADHM N#Cc1c(F)cccc1C(=O)[N-]NC(=O)c1ccc(Br)cc1Cl ZINC000187591877 1431774558 /nfs/dbraw/zinc/77/45/58/1431774558.db2.gz GRWPMFFWMDQLAJ-UHFFFAOYSA-N -1 3 396.603 3.188 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)[n-]1 ZINC000187591831 1431774675 /nfs/dbraw/zinc/77/46/75/1431774675.db2.gz OUKGRUOKLONIPJ-CYBMUJFWSA-N -1 3 375.494 3.364 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)[n-]1 ZINC000187591849 1431774815 /nfs/dbraw/zinc/77/48/15/1431774815.db2.gz OUKGRUOKLONIPJ-ZDUSSCGKSA-N -1 3 375.494 3.364 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000187652577 1431788663 /nfs/dbraw/zinc/78/86/63/1431788663.db2.gz UTXDWXOKIRIPQR-AWEZNQCLSA-N -1 3 392.415 3.150 20 0 GGADHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]Nc2ccccc2Cl)cc1 ZINC000187709190 1431802474 /nfs/dbraw/zinc/80/24/74/1431802474.db2.gz JHVXRPUZWXPUIZ-UHFFFAOYSA-N -1 3 397.809 3.042 20 0 GGADHM O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cccc2n[n-]nc21 ZINC000187822862 1431816539 /nfs/dbraw/zinc/81/65/39/1431816539.db2.gz YANVTKOJZAAOKO-UHFFFAOYSA-N -1 3 392.440 3.184 20 0 GGADHM COc1cc[n-]c(=NNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000187843657 1431819151 /nfs/dbraw/zinc/81/91/51/1431819151.db2.gz UVNHCKNFXIHHSN-UHFFFAOYSA-N -1 3 386.761 3.332 20 0 GGADHM CN(Cc1cccc(Br)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188082439 1431844107 /nfs/dbraw/zinc/84/41/07/1431844107.db2.gz DCBKCRZCWHBWSQ-KRWDZBQOSA-N -1 3 389.293 3.388 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)C1=Cc2ccccc2OC1 ZINC000188113943 1431848416 /nfs/dbraw/zinc/84/84/16/1431848416.db2.gz GTABPYDDBSAEQI-UHFFFAOYSA-N -1 3 396.262 3.008 20 0 GGADHM CCc1ccc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000188249050 1431865706 /nfs/dbraw/zinc/86/57/06/1431865706.db2.gz RSQQVERXUPVRIY-UHFFFAOYSA-N -1 3 384.451 3.011 20 0 GGADHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000188282572 1431869380 /nfs/dbraw/zinc/86/93/80/1431869380.db2.gz TXIQEDIRTDBKGI-AWEZNQCLSA-N -1 3 391.386 3.035 20 0 GGADHM COc1cccc(C(NC(=O)c2cccc3n[n-]nc32)c2cccc(OC)c2)c1 ZINC000188288899 1431870116 /nfs/dbraw/zinc/87/01/16/1431870116.db2.gz WJRWOVASHWZPRV-UHFFFAOYSA-N -1 3 388.427 3.495 20 0 GGADHM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N-]OC[C@H]1CCOC1 ZINC000188312791 1431872212 /nfs/dbraw/zinc/87/22/12/1431872212.db2.gz AGWSIIOAKHMVTL-INIZCTEOSA-N -1 3 394.427 3.312 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Br ZINC000188480047 1431887677 /nfs/dbraw/zinc/88/76/77/1431887677.db2.gz CIXBYLKDHNHFBT-UHFFFAOYSA-N -1 3 399.266 3.222 20 0 GGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccco1 ZINC000188603936 1431899162 /nfs/dbraw/zinc/89/91/62/1431899162.db2.gz GBRUCCAROVDSHQ-KRWDZBQOSA-N -1 3 388.514 3.419 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3n[nH]nc3-c3ccccc3)c2)n1 ZINC000188657318 1431922262 /nfs/dbraw/zinc/92/22/62/1431922262.db2.gz LYCWGPJUGPPSBC-UHFFFAOYSA-N -1 3 386.415 3.037 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2o1 ZINC000188768471 1431966880 /nfs/dbraw/zinc/96/68/80/1431966880.db2.gz RUHVVQQSEPPXFU-HNNXBMFYSA-N -1 3 393.443 3.367 20 0 GGADHM C[C@](O)(CCNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000188804561 1431981429 /nfs/dbraw/zinc/98/14/29/1431981429.db2.gz WXKPLTBEEFPPNU-SFHVURJKSA-N -1 3 393.281 3.252 20 0 GGADHM O=C([N-]NC(=O)c1cc2ccccc2o1)c1cc(Br)ncc1Cl ZINC000188908014 1432006538 /nfs/dbraw/zinc/00/65/38/1432006538.db2.gz WQGPWVCVLNUWTH-UHFFFAOYSA-N -1 3 394.612 3.319 20 0 GGADHM CCN(CC)C(=O)CCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000188915729 1432008092 /nfs/dbraw/zinc/00/80/92/1432008092.db2.gz GGRDEKQGYISPFC-UHFFFAOYSA-N -1 3 389.265 3.175 20 0 GGADHM O=Cc1ccc(OCCC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC000188917541 1432008672 /nfs/dbraw/zinc/00/86/72/1432008672.db2.gz ZBAQDFUSUIGOIN-UHFFFAOYSA-N -1 3 396.212 3.418 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189075534 1432039932 /nfs/dbraw/zinc/03/99/32/1432039932.db2.gz KFLVDJVGXWWIBE-HZPDHXFCSA-N -1 3 391.464 3.302 20 0 GGADHM Cc1ccc(NC(=O)CCc2c[nH]cn2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000189102337 1432045597 /nfs/dbraw/zinc/04/55/97/1432045597.db2.gz CXOWPAXKHBZOOJ-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000189102337 1432045602 /nfs/dbraw/zinc/04/56/02/1432045602.db2.gz CXOWPAXKHBZOOJ-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000189241908 1432070388 /nfs/dbraw/zinc/07/03/88/1432070388.db2.gz RZLTXYOZZJMDRC-ZDUSSCGKSA-N -1 3 381.398 3.452 20 0 GGADHM CCc1cc2c(CN3CCOC[C@H]3c3nc(C)cs3)cc(=O)oc2cc1[O-] ZINC000189246798 1432070689 /nfs/dbraw/zinc/07/06/89/1432070689.db2.gz PQVHUUNFHCFFFO-INIZCTEOSA-N -1 3 386.473 3.399 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000189285864 1432078582 /nfs/dbraw/zinc/07/85/82/1432078582.db2.gz ZDPPYKVBVYACAU-NSHDSACASA-N -1 3 381.398 3.258 20 0 GGADHM CC[C@]1(CO)CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000189315728 1432084747 /nfs/dbraw/zinc/08/47/47/1432084747.db2.gz HVAMAPPNTARGHQ-NFBKMPQASA-N -1 3 396.487 3.017 20 0 GGADHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000189609652 1432175901 /nfs/dbraw/zinc/17/59/01/1432175901.db2.gz DOPRSEUDPNSNIP-KRWDZBQOSA-N -1 3 392.249 3.094 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@](C)(Cc3ccccc3)[C@H](C)O)nc2)n1 ZINC000189648427 1432189776 /nfs/dbraw/zinc/18/97/76/1432189776.db2.gz RSFFMLXUMAAMAW-QMHKHESXSA-N -1 3 392.503 3.436 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCc3cccs3)n2)c1 ZINC000189677981 1432200442 /nfs/dbraw/zinc/20/04/42/1432200442.db2.gz NQDKAPOYYHDFEZ-GFCCVEGCSA-N -1 3 393.490 3.030 20 0 GGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)c21 ZINC000189714203 1432211999 /nfs/dbraw/zinc/21/19/99/1432211999.db2.gz HLQUSIQBAOWQOG-UHFFFAOYSA-N -1 3 387.461 3.119 20 0 GGADHM C[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000189927396 1432276760 /nfs/dbraw/zinc/27/67/60/1432276760.db2.gz ADKGIXZEGVEUFK-SNVBAGLBSA-N -1 3 376.334 3.123 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4nnc(C(C)C)n4c3)c[n-]c12 ZINC000190052990 1432311508 /nfs/dbraw/zinc/31/15/08/1432311508.db2.gz YYHACQUOSLDFSY-UHFFFAOYSA-N -1 3 379.395 3.394 20 0 GGADHM O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000190113665 1432322266 /nfs/dbraw/zinc/32/22/66/1432322266.db2.gz NLJHKWRNBCMXGE-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM O=C(Nc1cc(Br)c(F)cc1F)c1nnc2ccccc2c1[O-] ZINC000190244237 1432347852 /nfs/dbraw/zinc/34/78/52/1432347852.db2.gz XCUOVWQNIPOTTO-UHFFFAOYSA-N -1 3 380.148 3.216 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC=C(C)C)c(Br)cc1Cl ZINC000190249297 1432348474 /nfs/dbraw/zinc/34/84/74/1432348474.db2.gz BYNWXCJMNAWLTP-UHFFFAOYSA-N -1 3 396.690 3.134 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000190261797 1432350481 /nfs/dbraw/zinc/35/04/81/1432350481.db2.gz JRPNEENGCHVRIY-MRXNPFEDSA-N -1 3 376.497 3.196 20 0 GGADHM CCOC1CC(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000190307932 1432357159 /nfs/dbraw/zinc/35/71/59/1432357159.db2.gz GHBWUXVTYUIKHJ-UHFFFAOYSA-N -1 3 394.415 3.221 20 0 GGADHM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)NN=c1cccn[n-]1 ZINC000190363983 1432367633 /nfs/dbraw/zinc/36/76/33/1432367633.db2.gz VSSDUWMBJLQLRH-UHFFFAOYSA-N -1 3 381.823 3.187 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)ccc1C ZINC000190372169 1432369077 /nfs/dbraw/zinc/36/90/77/1432369077.db2.gz WYJZLSVGXNMINR-UHFFFAOYSA-N -1 3 385.445 3.077 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000190380430 1432370354 /nfs/dbraw/zinc/37/03/54/1432370354.db2.gz HNNIGYDULMFMMG-UHFFFAOYSA-N -1 3 395.425 3.432 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(OCC2CC2)cc1 ZINC000190497616 1432392712 /nfs/dbraw/zinc/39/27/12/1432392712.db2.gz ZFAYCIKAGPABEN-UHFFFAOYSA-N -1 3 380.444 3.328 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCCN(c3nc(C)ns3)CC2)c([O-])c1 ZINC000190521028 1432397476 /nfs/dbraw/zinc/39/74/76/1432397476.db2.gz HQDLRLGYJKTQOE-UHFFFAOYSA-N -1 3 390.509 3.084 20 0 GGADHM Cc1ccc(Cl)cc1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000190524927 1432397638 /nfs/dbraw/zinc/39/76/38/1432397638.db2.gz WEABGZGFLXPRBJ-UHFFFAOYSA-N -1 3 387.867 3.022 20 0 GGADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000190550256 1432404164 /nfs/dbraw/zinc/40/41/64/1432404164.db2.gz AESJJJXHJWEYNK-XIKOKIGWSA-N -1 3 387.423 3.012 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c([O-])c1 ZINC000190559340 1432406637 /nfs/dbraw/zinc/40/66/37/1432406637.db2.gz OVSYVCFOCWGGHZ-UHFFFAOYSA-N -1 3 392.459 3.486 20 0 GGADHM CCc1ccc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c([O-])c1 ZINC000190570453 1432409612 /nfs/dbraw/zinc/40/96/12/1432409612.db2.gz SRFLLCSDVXYXAK-UHFFFAOYSA-N -1 3 386.517 3.227 20 0 GGADHM CCc1ccc(C(=O)N[N-]C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000190717346 1432453917 /nfs/dbraw/zinc/45/39/17/1432453917.db2.gz HXUNMAQKZKWXJO-UHFFFAOYSA-N -1 3 398.221 3.095 20 0 GGADHM CCCCOc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Cl ZINC000190754029 1432468264 /nfs/dbraw/zinc/46/82/64/1432468264.db2.gz RZGDVOIRBNAGCO-UHFFFAOYSA-N -1 3 391.899 3.468 20 0 GGADHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000190800882 1432486051 /nfs/dbraw/zinc/48/60/51/1432486051.db2.gz DCQYAKANCPGREY-NSHDSACASA-N -1 3 386.876 3.286 20 0 GGADHM CCCCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c([O-])c1 ZINC000190828661 1432497183 /nfs/dbraw/zinc/49/71/83/1432497183.db2.gz HJDZWECYALYBQJ-DNVCBOLYSA-N -1 3 386.492 3.187 20 0 GGADHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1OCCN1CCOCC1 ZINC000190890849 1432520790 /nfs/dbraw/zinc/52/07/90/1432520790.db2.gz LVWHSHCLOUTDID-UHFFFAOYSA-N -1 3 394.874 3.186 20 0 GGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c([O-])c1 ZINC000190911822 1432527228 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3.431 20 0 GGADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccncc3F)cc2c1C ZINC000191548826 1432681210 /nfs/dbraw/zinc/68/12/10/1432681210.db2.gz JWNHQWTUHOSCFJ-UHFFFAOYSA-N -1 3 378.381 3.253 20 0 GGADHM Cc1cnc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c(Br)c1 ZINC000191548720 1432681265 /nfs/dbraw/zinc/68/12/65/1432681265.db2.gz NMEZTCBNIZWLEF-UHFFFAOYSA-N -1 3 381.251 3.328 20 0 GGADHM CC(=O)N1CCN(Cc2ccccc2NCc2c([O-])ccc(Cl)c2F)CC1 ZINC000191619350 1432694059 /nfs/dbraw/zinc/69/40/59/1432694059.db2.gz UYQWZZOVAFIJPT-UHFFFAOYSA-N -1 3 391.874 3.461 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3cccc(Cl)c3F)[n-]c(=O)c21 ZINC000191824929 1432733059 /nfs/dbraw/zinc/73/30/59/1432733059.db2.gz RHDCTHIIXKERBI-UHFFFAOYSA-N -1 3 393.827 3.498 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000191831079 1432734326 /nfs/dbraw/zinc/73/43/26/1432734326.db2.gz SXVSGWUTNXTFTF-LLVKDONJSA-N -1 3 393.871 3.025 20 0 GGADHM CCCCc1nc(NC(=O)C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)[n-]1 ZINC000191963342 1432768373 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GGADHM Cc1ccc(CS(=O)(=O)[N-]CC(=O)Nc2c(C)cc(C)cc2C)c(F)c1 ZINC000192011199 1432778972 /nfs/dbraw/zinc/77/89/72/1432778972.db2.gz BDJPYXRSTLZBJK-UHFFFAOYSA-N -1 3 378.469 3.117 20 0 GGADHM CCCc1c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1ccc(F)cc1 ZINC000192233406 1432820484 /nfs/dbraw/zinc/82/04/84/1432820484.db2.gz YXEOBFSAUBAZDM-UHFFFAOYSA-N -1 3 392.390 3.100 20 0 GGADHM COc1ccc(Cl)cc1CN1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192522890 1432854710 /nfs/dbraw/zinc/85/47/10/1432854710.db2.gz HTZPKHMHXDXSPD-CQSZACIVSA-N -1 3 376.888 3.031 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000192544583 1432857505 /nfs/dbraw/zinc/85/75/05/1432857505.db2.gz WUTDQLLDNMGEGP-CYBMUJFWSA-N -1 3 394.397 3.028 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1 ZINC000192547115 1432857780 /nfs/dbraw/zinc/85/77/80/1432857780.db2.gz GFLCNQLWJLDLOK-CQSZACIVSA-N -1 3 375.542 3.123 20 0 GGADHM COc1ccccc1[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1noc(C)n1 ZINC000192550813 1432858476 /nfs/dbraw/zinc/85/84/76/1432858476.db2.gz YZIXEHZDPHPQHF-HNNXBMFYSA-N -1 3 388.374 3.088 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1ccnc(OCC(F)(F)F)c1 ZINC000192569997 1432861407 /nfs/dbraw/zinc/86/14/07/1432861407.db2.gz QOTRYCPRGLKUIQ-UHFFFAOYSA-N -1 3 375.297 3.134 20 0 GGADHM CCOc1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc(Cl)c1[O-] ZINC000192577467 1432862208 /nfs/dbraw/zinc/86/22/08/1432862208.db2.gz XLFLGQAZJWYZKS-UHFFFAOYSA-N -1 3 389.883 3.234 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]C(=O)C(F)(F)c3ncccc3C)n2)c1 ZINC000192637103 1432869640 /nfs/dbraw/zinc/86/96/40/1432869640.db2.gz RBQYAESJEXLWRM-LBPRGKRZSA-N -1 3 388.374 3.418 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000192682876 1432874917 /nfs/dbraw/zinc/87/49/17/1432874917.db2.gz SNICNGXIVSPLFK-AWEZNQCLSA-N -1 3 379.794 3.057 20 0 GGADHM COc1ccccc1-n1ncc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1C ZINC000192686078 1432875386 /nfs/dbraw/zinc/87/53/86/1432875386.db2.gz ZKLRDKPHXITOLB-UHFFFAOYSA-N -1 3 378.392 3.128 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000192705557 1432877733 /nfs/dbraw/zinc/87/77/33/1432877733.db2.gz RZLVHYDMYYYFCD-UHFFFAOYSA-N -1 3 386.301 3.128 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)c(F)c1 ZINC000192763045 1432886440 /nfs/dbraw/zinc/88/64/40/1432886440.db2.gz QOHSNUJFSQSGKI-CQSZACIVSA-N -1 3 389.452 3.289 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)c(F)c1 ZINC000192787448 1432890891 /nfs/dbraw/zinc/89/08/91/1432890891.db2.gz YNLXBOUEPWSUSV-CYBMUJFWSA-N -1 3 375.425 3.365 20 0 GGADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000192828824 1432896069 /nfs/dbraw/zinc/89/60/69/1432896069.db2.gz VXHVLQADRVGSPN-UHFFFAOYSA-N -1 3 384.399 3.414 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC(=O)OC(C)(C)C ZINC000192995328 1432919005 /nfs/dbraw/zinc/91/90/05/1432919005.db2.gz VOIJRULFCKSTES-SECBINFHSA-N -1 3 383.297 3.185 20 0 GGADHM CCC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)sc2C1 ZINC000193004522 1432920933 /nfs/dbraw/zinc/92/09/33/1432920933.db2.gz WBJGQQJYCLGBDK-NSHDSACASA-N -1 3 391.468 3.148 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Cl ZINC000193147621 1432944569 /nfs/dbraw/zinc/94/45/69/1432944569.db2.gz RIGCPKCPFJGOAJ-AWEZNQCLSA-N -1 3 387.867 3.274 20 0 GGADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C)cc1 ZINC000193182431 1432952718 /nfs/dbraw/zinc/95/27/18/1432952718.db2.gz OGKHMTKPWQGQJS-FQEVSTJZSA-N -1 3 381.476 3.319 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2cc(N)ccc21 ZINC000193392201 1432989789 /nfs/dbraw/zinc/98/97/89/1432989789.db2.gz MQZGHJMEXMXDMF-INIZCTEOSA-N -1 3 394.880 3.065 20 0 GGADHM COc1ncccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000193416377 1432994332 /nfs/dbraw/zinc/99/43/32/1432994332.db2.gz TUNBIUGUKUKOBC-UHFFFAOYSA-N -1 3 375.856 3.300 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc(F)c2)c1 ZINC000193466026 1433003793 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3.078 20 0 GGADHM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193880067 1433077552 /nfs/dbraw/zinc/07/75/52/1433077552.db2.gz RHJWTTDVTWVJJJ-UHFFFAOYSA-N -1 3 378.335 3.216 20 0 GGADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1coc(C2CCC2)n1 ZINC000193896872 1433080500 /nfs/dbraw/zinc/08/05/00/1433080500.db2.gz GJVXBBZTXWYKDB-UHFFFAOYSA-N -1 3 395.415 3.413 20 0 GGADHM CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000193941519 1433089270 /nfs/dbraw/zinc/08/92/70/1433089270.db2.gz OSRYEGJKXVECOC-UHFFFAOYSA-N -1 3 395.459 3.426 20 0 GGADHM CCCCCN(C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C(C)C ZINC000193975250 1433094648 /nfs/dbraw/zinc/09/46/48/1433094648.db2.gz BVGISPIVUPPGLE-UHFFFAOYSA-N -1 3 398.507 3.365 20 0 GGADHM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1ccccc1-c1ccccc1 ZINC000194194215 1433136105 /nfs/dbraw/zinc/13/61/05/1433136105.db2.gz AYDRDQIZDDEWNM-UHFFFAOYSA-N -1 3 395.419 3.269 20 0 GGADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000194216637 1433140730 /nfs/dbraw/zinc/14/07/30/1433140730.db2.gz WKVCQIHZRYCZRB-SGTLLEGYSA-N -1 3 398.912 3.436 20 0 GGADHM O=C(Nc1ccccc1)c1cccc(CSc2nc3n[nH]cc3c(=O)[n-]2)c1 ZINC000194247324 1433148027 /nfs/dbraw/zinc/14/80/27/1433148027.db2.gz YHEHDLUVXUSWHN-UHFFFAOYSA-N -1 3 377.429 3.191 20 0 GGADHM O=C(CSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000194258136 1433150732 /nfs/dbraw/zinc/15/07/32/1433150732.db2.gz PIYDAOARMBOSJY-UHFFFAOYSA-N -1 3 390.892 3.122 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194299419 1433157989 /nfs/dbraw/zinc/15/79/89/1433157989.db2.gz WLHNZOIEWIRBLN-UHFFFAOYSA-N -1 3 388.855 3.028 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)c([O-])c1 ZINC000194503257 1433188554 /nfs/dbraw/zinc/18/85/54/1433188554.db2.gz ZXADKUFDHMPJKB-AWEZNQCLSA-N -1 3 388.468 3.040 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1nc2c(s1)CCCCCC2 ZINC000194506654 1433189500 /nfs/dbraw/zinc/18/95/00/1433189500.db2.gz GKAATVPHIRYMLL-UHFFFAOYSA-N -1 3 388.493 3.059 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000194589491 1433202439 /nfs/dbraw/zinc/20/24/39/1433202439.db2.gz MLHWSVUYRIAHLH-AWEZNQCLSA-N -1 3 389.521 3.161 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000194589478 1433202473 /nfs/dbraw/zinc/20/24/73/1433202473.db2.gz MLHWSVUYRIAHLH-CQSZACIVSA-N -1 3 389.521 3.161 20 0 GGADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194599627 1433203539 /nfs/dbraw/zinc/20/35/39/1433203539.db2.gz RQYRADBCQKRWBM-UHFFFAOYSA-N -1 3 387.505 3.098 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](c3ccccc3)N(C)C)c2)n1 ZINC000194718697 1433219432 /nfs/dbraw/zinc/21/94/32/1433219432.db2.gz CNTQKVNQMFUNFF-FQEVSTJZSA-N -1 3 376.460 3.241 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)c(C)c1 ZINC000194728713 1433221195 /nfs/dbraw/zinc/22/11/95/1433221195.db2.gz WEPXQELLLJHERQ-UHFFFAOYSA-N -1 3 388.489 3.395 20 0 GGADHM COc1cc(C(=O)[N-]c2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)on1 ZINC000194741998 1433223159 /nfs/dbraw/zinc/22/31/59/1433223159.db2.gz HZLMGYKEFTXAJY-UHFFFAOYSA-N -1 3 384.417 3.252 20 0 GGADHM CC(C)c1nc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1ccccc1Cl ZINC000194757074 1433225476 /nfs/dbraw/zinc/22/54/76/1433225476.db2.gz GQTUNTNXIRLMFS-UHFFFAOYSA-N -1 3 399.764 3.433 20 0 GGADHM CC(C)c1nc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1ccccc1Cl ZINC000194757074 1433225480 /nfs/dbraw/zinc/22/54/80/1433225480.db2.gz GQTUNTNXIRLMFS-UHFFFAOYSA-N -1 3 399.764 3.433 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ncc(-c2ccccc2)o1 ZINC000194783640 1433231347 /nfs/dbraw/zinc/23/13/47/1433231347.db2.gz UUKUFKVANKFTAM-LLVKDONJSA-N -1 3 386.458 3.386 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000194932957 1433267435 /nfs/dbraw/zinc/26/74/35/1433267435.db2.gz CPIGDZKJKVJXCM-UHFFFAOYSA-N -1 3 393.270 3.226 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)N3CCc4ccccc43)c2)n1 ZINC000194956883 1433272327 /nfs/dbraw/zinc/27/23/27/1433272327.db2.gz ONPJUSOVWDLDNV-HNNXBMFYSA-N -1 3 388.471 3.389 20 0 GGADHM Cc1ccc(C(=O)NC2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)s1 ZINC000195247832 1433311710 /nfs/dbraw/zinc/31/17/10/1433311710.db2.gz NSYFSYRHHWNGQZ-UHFFFAOYSA-N -1 3 398.484 3.263 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000195341738 1433320824 /nfs/dbraw/zinc/32/08/24/1433320824.db2.gz BCGFFCKBPWDQAH-HNNXBMFYSA-N -1 3 394.450 3.432 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc2ncsc2c1 ZINC000195346062 1433321450 /nfs/dbraw/zinc/32/14/50/1433321450.db2.gz LVWANBIEWCBXGT-UHFFFAOYSA-N -1 3 391.456 3.321 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)CCc1cccs1)c1nc(-c2cccnc2)no1 ZINC000195365411 1433322863 /nfs/dbraw/zinc/32/28/63/1433322863.db2.gz DHLDGYZNYOIDJY-HNNXBMFYSA-N -1 3 392.506 3.052 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc2C[C@H]1C ZINC000195451021 1433331313 /nfs/dbraw/zinc/33/13/13/1433331313.db2.gz QSCAICTYQXPATQ-CYBMUJFWSA-N -1 3 386.473 3.110 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000195658213 1433343552 /nfs/dbraw/zinc/34/35/52/1433343552.db2.gz AUZIKODJFSPRAD-UKRRQHHQSA-N -1 3 384.517 3.459 20 0 GGADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000195658215 1433343637 /nfs/dbraw/zinc/34/36/37/1433343637.db2.gz AUZIKODJFSPRAD-DZGCQCFKSA-N -1 3 384.517 3.459 20 0 GGADHM Cc1ccc(C)n1-c1sccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000195680432 1433344480 /nfs/dbraw/zinc/34/44/80/1433344480.db2.gz GQKZMMIUGBWCMJ-UHFFFAOYSA-N -1 3 383.473 3.021 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc[nH]3)ccc2C)cc1 ZINC000198288472 1433349010 /nfs/dbraw/zinc/34/90/10/1433349010.db2.gz OGJSTBWKRQEPSO-UHFFFAOYSA-N -1 3 385.445 3.385 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCN3)ccc1F ZINC000236683178 1433375959 /nfs/dbraw/zinc/37/59/59/1433375959.db2.gz SXTPDVHFCYZRNH-UHFFFAOYSA-N -1 3 391.468 3.123 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCCN3)ccc1F ZINC000236751113 1433377743 /nfs/dbraw/zinc/37/77/43/1433377743.db2.gz ONLGTNWIKBITGD-UHFFFAOYSA-N -1 3 391.468 3.123 20 0 GGADHM O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCc2ccccc21 ZINC000237951143 1433436887 /nfs/dbraw/zinc/43/68/87/1433436887.db2.gz HCFRIWYANMVRMA-UHFFFAOYSA-N -1 3 375.812 3.023 20 0 GGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000246351162 1433598911 /nfs/dbraw/zinc/59/89/11/1433598911.db2.gz KAJCZHNMUORUSV-IIYDPXPESA-N -1 3 380.485 3.060 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cnc(Cl)c(Cl)c1 ZINC000246485086 1433619833 /nfs/dbraw/zinc/61/98/33/1433619833.db2.gz JUYWNWSFZKUUMH-RAIGVLPGSA-N -1 3 377.293 3.014 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000247346818 1433710668 /nfs/dbraw/zinc/71/06/68/1433710668.db2.gz GVYFBRYCLDEJHB-GJZGRUSLSA-N -1 3 387.459 3.224 20 0 GGADHM COc1ccccc1Nc1ncccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000248147074 1433774886 /nfs/dbraw/zinc/77/48/86/1433774886.db2.gz XEFVTIZHUCTWKB-UHFFFAOYSA-N -1 3 378.314 3.223 20 0 GGADHM COc1ccccc1Nc1ncccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000248147074 1433774889 /nfs/dbraw/zinc/77/48/89/1433774889.db2.gz XEFVTIZHUCTWKB-UHFFFAOYSA-N -1 3 378.314 3.223 20 0 GGADHM CC[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000248217986 1433780832 /nfs/dbraw/zinc/78/08/32/1433780832.db2.gz HBAUWSXXNMHIHT-CQSZACIVSA-N -1 3 390.480 3.190 20 0 GGADHM CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@@H]1CCCO1 ZINC000248528125 1433806986 /nfs/dbraw/zinc/80/69/86/1433806986.db2.gz DIALJBOZIDNXOP-HBMCJLEFSA-N -1 3 396.487 3.327 20 0 GGADHM CC[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)O1 ZINC000248529517 1433807162 /nfs/dbraw/zinc/80/71/62/1433807162.db2.gz DSEFAKKDHZKPJL-MAODMQOUSA-N -1 3 396.487 3.279 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3ccccc3Br)C2)n1 ZINC000248725516 1433817846 /nfs/dbraw/zinc/81/78/46/1433817846.db2.gz HXNIGJXRIDSXCX-SWLSCSKDSA-N -1 3 378.270 3.388 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)[n-]c1-c1ccccc1 ZINC000249458691 1433844263 /nfs/dbraw/zinc/84/42/63/1433844263.db2.gz OHENBNJEODSKHS-IIAWOOMASA-N -1 3 389.521 3.052 20 0 GGADHM C[C@H]1CN([C@H](CNC(=O)c2ccccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000251889665 1433861322 /nfs/dbraw/zinc/86/13/22/1433861322.db2.gz VKUHNBKNOCXUGI-SUMWQHHRSA-N -1 3 392.858 3.377 20 0 GGADHM Cc1cccc2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)c(Cl)nc12 ZINC000253424284 1433867328 /nfs/dbraw/zinc/86/73/28/1433867328.db2.gz CXAQHMLWORRKKE-UHFFFAOYSA-N -1 3 383.835 3.062 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H](C)O[C@@H](CC)C3)nc(=O)c2c1C ZINC000253542211 1433868472 /nfs/dbraw/zinc/86/84/72/1433868472.db2.gz CJIUADLUYPAPKW-WXHSDQCUSA-N -1 3 393.509 3.442 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@]4(CCOC4)C3)nc(=O)c2c1C ZINC000253552441 1433869086 /nfs/dbraw/zinc/86/90/86/1433869086.db2.gz XIODPAQQGHNNKE-HXPMCKFVSA-N -1 3 391.493 3.055 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1C ZINC000253587305 1433869694 /nfs/dbraw/zinc/86/96/94/1433869694.db2.gz MMVLRBGYASOHQZ-VXGBXAGGSA-N -1 3 387.461 3.288 20 0 GGADHM CCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1cccc(Cl)c1 ZINC000253608813 1433870432 /nfs/dbraw/zinc/87/04/32/1433870432.db2.gz QYEJZTLVGDELNR-UHFFFAOYSA-N -1 3 384.749 3.477 20 0 GGADHM CCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1cccc(Cl)c1 ZINC000253608813 1433870433 /nfs/dbraw/zinc/87/04/33/1433870433.db2.gz QYEJZTLVGDELNR-UHFFFAOYSA-N -1 3 384.749 3.477 20 0 GGADHM CC(C)Cc1noc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000253609043 1433870457 /nfs/dbraw/zinc/87/04/57/1433870457.db2.gz GQMNRDNTLJPNCW-UHFFFAOYSA-N -1 3 382.449 3.395 20 0 GGADHM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc(Br)ccc1[O-] ZINC000254346498 1433870998 /nfs/dbraw/zinc/87/09/98/1433870998.db2.gz MBVIMBIUMASLQV-UHFFFAOYSA-N -1 3 397.298 3.008 20 0 GGADHM Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=Cc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000254565490 1433871615 /nfs/dbraw/zinc/87/16/15/1433871615.db2.gz AERATHBZFQXBHN-UHFFFAOYSA-N -1 3 388.598 3.296 20 0 GGADHM Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=Cc2cccc([N+](=O)[O-])c2)c1Cl ZINC000254733861 1433871765 /nfs/dbraw/zinc/87/17/65/1433871765.db2.gz JPHOTBNINPEOSU-UHFFFAOYSA-N -1 3 388.598 3.296 20 0 GGADHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OCC(F)(F)F ZINC000255018633 1433874273 /nfs/dbraw/zinc/87/42/73/1433874273.db2.gz ZTGVFYXTWNNLSN-ZROIWOOFSA-N -1 3 392.333 3.359 20 0 GGADHM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000255418254 1433882439 /nfs/dbraw/zinc/88/24/39/1433882439.db2.gz OWEVBAQMPYIAGY-FSIMMPEJSA-N -1 3 399.310 3.351 20 0 GGADHM O=C(/C=C\c1ccc(Cl)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000255536187 1433884465 /nfs/dbraw/zinc/88/44/65/1433884465.db2.gz ICWUVPXYXMGANC-VURMDHGXSA-N -1 3 376.865 3.105 20 0 GGADHM COc1ccccc1[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccn1 ZINC000255600275 1433886304 /nfs/dbraw/zinc/88/63/04/1433886304.db2.gz BFMMUDSNWKOXGI-NUVSWBFWSA-N -1 3 385.423 3.080 20 0 GGADHM COc1ccccc1[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccn1 ZINC000255600274 1433886366 /nfs/dbraw/zinc/88/63/66/1433886366.db2.gz BFMMUDSNWKOXGI-JOIYNNFJSA-N -1 3 385.423 3.080 20 0 GGADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(/C=C\c4ccco4)s3)nn2)c1 ZINC000255668928 1433887644 /nfs/dbraw/zinc/88/76/44/1433887644.db2.gz NWQITJWHMDFPML-FPLPWBNLSA-N -1 3 378.417 3.443 20 0 GGADHM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000255759509 1433889174 /nfs/dbraw/zinc/88/91/74/1433889174.db2.gz LQWWUCHZHYNKSN-DDKJEQMHSA-N -1 3 382.460 3.129 20 0 GGADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000261435603 1433896260 /nfs/dbraw/zinc/89/62/60/1433896260.db2.gz DVEGEUVBIXTREX-CYBMUJFWSA-N -1 3 381.839 3.389 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C4(N)CCC4)no3)ccc2C)cc1 ZINC000261646210 1433898228 /nfs/dbraw/zinc/89/82/28/1433898228.db2.gz AQTCOMIUWLFZBH-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C4(N)CCC4)no3)c2)cc1 ZINC000261925642 1433913842 /nfs/dbraw/zinc/91/38/42/1433913842.db2.gz KZIWZUKINNWHFM-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262076297 1433926109 /nfs/dbraw/zinc/92/61/09/1433926109.db2.gz DNPGXCYVIPTBNM-QHRIQVFBSA-N -1 3 380.872 3.171 20 0 GGADHM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000262133318 1433928146 /nfs/dbraw/zinc/92/81/46/1433928146.db2.gz KYTZXXHYSZBLFN-FDDCHVKYSA-N -1 3 394.471 3.391 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1nc(-c3cccc(C(F)(F)F)c3)no1)C2 ZINC000262178942 1433929735 /nfs/dbraw/zinc/92/97/35/1433929735.db2.gz PWNIASXHJXLCCG-SUMWQHHRSA-N -1 3 381.354 3.442 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000262968384 1433971635 /nfs/dbraw/zinc/97/16/35/1433971635.db2.gz RJRQXAPVLCXMDP-INIZCTEOSA-N -1 3 389.883 3.176 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000263078946 1433983467 /nfs/dbraw/zinc/98/34/67/1433983467.db2.gz HOAFCMYZNULGIK-KBXCAEBGSA-N -1 3 380.435 3.033 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000263113096 1433986659 /nfs/dbraw/zinc/98/66/59/1433986659.db2.gz BVDXAIRMYBEIOL-UIFIKXQLSA-N -1 3 380.488 3.129 20 0 GGADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263156750 1433990748 /nfs/dbraw/zinc/99/07/48/1433990748.db2.gz FVCHOBWOBNLNMZ-FUHIMQAGSA-N -1 3 380.488 3.323 20 0 GGADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263156756 1433990922 /nfs/dbraw/zinc/99/09/22/1433990922.db2.gz FVCHOBWOBNLNMZ-MBOZVWFJSA-N -1 3 380.488 3.323 20 0 GGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263367192 1434003959 /nfs/dbraw/zinc/00/39/59/1434003959.db2.gz UGDWEQFPJRKMJR-MAUKXSAKSA-N -1 3 388.552 3.302 20 0 GGADHM COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263386197 1434004687 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Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000268592712 1434537570 /nfs/dbraw/zinc/53/75/70/1434537570.db2.gz KCKFUDWJLLYQOI-LBPRGKRZSA-N -1 3 381.835 3.044 20 0 GGADHM COc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000268663110 1434545393 /nfs/dbraw/zinc/54/53/93/1434545393.db2.gz UZKRDOUYHMZJEG-UHFFFAOYSA-N -1 3 389.839 3.044 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000268664173 1434545400 /nfs/dbraw/zinc/54/54/00/1434545400.db2.gz VETVRHCMFGSWHJ-UHFFFAOYSA-N -1 3 389.839 3.044 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c1C ZINC000269071949 1434588356 /nfs/dbraw/zinc/58/83/56/1434588356.db2.gz GQVJTGUHONEPCO-UHFFFAOYSA-N -1 3 376.526 3.225 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3CC[C@@H](C)C[C@H]3C)nc(=O)c2c1C ZINC000269404760 1434639675 /nfs/dbraw/zinc/63/96/75/1434639675.db2.gz DPZIWAPPPXYLEQ-VXGBXAGGSA-N -1 3 393.509 3.129 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@@H]3C)nc(=O)c2c1C ZINC000269404756 1434639836 /nfs/dbraw/zinc/63/98/36/1434639836.db2.gz DPZIWAPPPXYLEQ-RYUDHWBXSA-N -1 3 393.509 3.129 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3CCC[C@H]3C(C)C)nc(=O)c2c1C ZINC000269532421 1434657130 /nfs/dbraw/zinc/65/71/30/1434657130.db2.gz SQNOQBICVUWZSD-ZDUSSCGKSA-N -1 3 393.509 3.129 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3CCC[C@@H]3C(C)C)nc(=O)c2c1C ZINC000269532420 1434657207 /nfs/dbraw/zinc/65/72/07/1434657207.db2.gz SQNOQBICVUWZSD-CYBMUJFWSA-N -1 3 393.509 3.129 20 0 GGADHM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000269547622 1434658418 /nfs/dbraw/zinc/65/84/18/1434658418.db2.gz RSJILACLZATTIU-HNNXBMFYSA-N -1 3 386.452 3.130 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc1OC ZINC000269811165 1434677608 /nfs/dbraw/zinc/67/76/08/1434677608.db2.gz UUGIEOIYMZFFKV-ZIAGYGMSSA-N -1 3 383.514 3.357 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)s1 ZINC000269962476 1434690617 /nfs/dbraw/zinc/69/06/17/1434690617.db2.gz JFQYQQDAOQGPFL-ACJLOTCBSA-N -1 3 396.534 3.055 20 0 GGADHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270054721 1434697305 /nfs/dbraw/zinc/69/73/05/1434697305.db2.gz OPEAQESXKAIRKU-SFHVURJKSA-N -1 3 398.459 3.181 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000270061051 1434698230 /nfs/dbraw/zinc/69/82/30/1434698230.db2.gz QAURYRCHDGQVBG-KRWDZBQOSA-N -1 3 382.416 3.099 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@](C)(O)C3CC3)cc2)cc1 ZINC000270164326 1434708698 /nfs/dbraw/zinc/70/86/98/1434708698.db2.gz ZTEMQYCDJCMFPK-FQEVSTJZSA-N -1 3 388.489 3.285 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000270292043 1434720279 /nfs/dbraw/zinc/72/02/79/1434720279.db2.gz LPKQSLXJVVNWPP-GFCCVEGCSA-N -1 3 375.429 3.040 20 0 GGADHM CCCn1c(C)nnc1SCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000270477980 1434737162 /nfs/dbraw/zinc/73/71/62/1434737162.db2.gz XJLSYIKNZUSBON-UHFFFAOYSA-N -1 3 393.494 3.094 20 0 GGADHM COc1cc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc(OC)c1[O-] ZINC000270625487 1434752795 /nfs/dbraw/zinc/75/27/95/1434752795.db2.gz GMJYAMBNPFNUSZ-AWEZNQCLSA-N -1 3 377.462 3.292 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc(OC)c1[O-] ZINC000270637694 1434754233 /nfs/dbraw/zinc/75/42/33/1434754233.db2.gz FSSXWOOIMOMLMK-CYBMUJFWSA-N -1 3 384.432 3.027 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc(OC)c1[O-] ZINC000270693064 1434762882 /nfs/dbraw/zinc/76/28/82/1434762882.db2.gz AFMSKTSXLBTXOR-NSHDSACASA-N -1 3 375.425 3.331 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc(OC)c1[O-] ZINC000270693062 1434763026 /nfs/dbraw/zinc/76/30/26/1434763026.db2.gz AFMSKTSXLBTXOR-LLVKDONJSA-N -1 3 375.425 3.331 20 0 GGADHM CCOCCOc1cc(C)ccc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270718188 1434766098 /nfs/dbraw/zinc/76/60/98/1434766098.db2.gz CYNQQFRJPUTHFH-UHFFFAOYSA-N -1 3 389.448 3.063 20 0 GGADHM CSCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000270744637 1434769011 /nfs/dbraw/zinc/76/90/11/1434769011.db2.gz SLJFSQCWJIWNBU-UHFFFAOYSA-N -1 3 385.489 3.245 20 0 GGADHM COc1cc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cc(OC)c1[O-] ZINC000270807173 1434777169 /nfs/dbraw/zinc/77/71/69/1434777169.db2.gz VWCWHWTXLUKERQ-UHFFFAOYSA-N -1 3 385.464 3.115 20 0 GGADHM CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000271056559 1434799057 /nfs/dbraw/zinc/79/90/57/1434799057.db2.gz UIPLIKXYNTWLGY-UHFFFAOYSA-N -1 3 375.421 3.089 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc(OC)c1[O-] ZINC000271195249 1434807499 /nfs/dbraw/zinc/80/74/99/1434807499.db2.gz WNEWYTCGBVPABH-HNNXBMFYSA-N -1 3 381.432 3.064 20 0 GGADHM CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000271224217 1434809216 /nfs/dbraw/zinc/80/92/16/1434809216.db2.gz DHLOCBZKEBZIOW-AWEZNQCLSA-N -1 3 377.462 3.080 20 0 GGADHM CCc1nn(C)cc1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000271376371 1434820317 /nfs/dbraw/zinc/82/03/17/1434820317.db2.gz MLJBGYOYSTWLPC-UHFFFAOYSA-N -1 3 383.420 3.313 20 0 GGADHM CCCCCSCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[n-]1 ZINC000271642588 1434841271 /nfs/dbraw/zinc/84/12/71/1434841271.db2.gz RWWBXMDETXOOJY-UHFFFAOYSA-N -1 3 398.506 3.322 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000271993275 1434864509 /nfs/dbraw/zinc/86/45/09/1434864509.db2.gz RSMXNMYQYJHZJJ-ROUUACIJSA-N -1 3 398.507 3.195 20 0 GGADHM COc1ccc(N[C@@H](C)c2cccc(NC(C)=O)c2)cc1[N-]S(C)(=O)=O ZINC000272114675 1434873180 /nfs/dbraw/zinc/87/31/80/1434873180.db2.gz RBIOHRHNRULCKF-LBPRGKRZSA-N -1 3 377.466 3.198 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000272192755 1434877068 /nfs/dbraw/zinc/87/70/68/1434877068.db2.gz VXDYLEOMLQDTET-INIZCTEOSA-N -1 3 381.398 3.412 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnc1N1CCCC[C@@H]1C ZINC000272506690 1434901900 /nfs/dbraw/zinc/90/19/00/1434901900.db2.gz HECVVPWQBPOLPV-AWEZNQCLSA-N -1 3 383.496 3.453 20 0 GGADHM C[C@@H]1C[C@@H](CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000272525489 1434904198 /nfs/dbraw/zinc/90/41/98/1434904198.db2.gz IJMDDCNYTARKRF-WWMYMODYSA-N -1 3 396.487 3.185 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(Cc2ccccc2)OC)cc1OC ZINC000272599505 1434913291 /nfs/dbraw/zinc/91/32/91/1434913291.db2.gz SADNLCXTQGUISC-UHFFFAOYSA-N -1 3 393.465 3.052 20 0 GGADHM CCC[C@H](CCO)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272657435 1434920220 /nfs/dbraw/zinc/92/02/20/1434920220.db2.gz GKMQPALNDKLMCE-DYESRHJHSA-N -1 3 398.503 3.168 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000272699074 1434923786 /nfs/dbraw/zinc/92/37/86/1434923786.db2.gz SVIPQNCLNVSYIE-QHAWAJNXSA-N -1 3 394.471 3.033 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCO[C@H]2CCC[C@@H]21 ZINC000272699071 1434923844 /nfs/dbraw/zinc/92/38/44/1434923844.db2.gz SVIPQNCLNVSYIE-HKBOAZHASA-N -1 3 394.471 3.033 20 0 GGADHM CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000272753123 1434928236 /nfs/dbraw/zinc/92/82/36/1434928236.db2.gz OPTHPZDTQFIPQK-UHFFFAOYSA-N -1 3 390.480 3.350 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1OC ZINC000272754783 1434928467 /nfs/dbraw/zinc/92/84/67/1434928467.db2.gz NIOZNEHSEHKSMF-YSVLISHTSA-N -1 3 395.525 3.499 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc(NC(C)=O)cc2)cc1[N-]S(C)(=O)=O ZINC000272773637 1434930131 /nfs/dbraw/zinc/93/01/31/1434930131.db2.gz TXEBJVVUDLWNAR-LBPRGKRZSA-N -1 3 377.466 3.198 20 0 GGADHM Cc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cnn1C1CCCCC1 ZINC000272925063 1434941644 /nfs/dbraw/zinc/94/16/44/1434941644.db2.gz OSNBUUARZUCNRX-UHFFFAOYSA-N -1 3 376.482 3.321 20 0 GGADHM CCc1cc2c(CN[C@@H](CO)c3c(F)cccc3F)cc(=O)oc2cc1[O-] ZINC000272971891 1434945288 /nfs/dbraw/zinc/94/52/88/1434945288.db2.gz CHYZSZHEDGGANI-INIZCTEOSA-N -1 3 375.371 3.162 20 0 GGADHM COCc1nsc([N-]C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)n1 ZINC000273030249 1434952638 /nfs/dbraw/zinc/95/26/38/1434952638.db2.gz BYMXKULYAOBJEA-UHFFFAOYSA-N -1 3 391.884 3.452 20 0 GGADHM COCc1nsc([N-]C(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)n1 ZINC000273061146 1434956681 /nfs/dbraw/zinc/95/66/81/1434956681.db2.gz HSGVJPGJBLHKGA-UHFFFAOYSA-N -1 3 397.382 3.450 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc2c(s1)CN(C(C)C)CC2 ZINC000273137089 1434965453 /nfs/dbraw/zinc/96/54/53/1434965453.db2.gz WEXKVVDVMGBKLS-UHFFFAOYSA-N -1 3 389.525 3.263 20 0 GGADHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000273166243 1434968262 /nfs/dbraw/zinc/96/82/62/1434968262.db2.gz BVSUIECNSAHFLP-HNNXBMFYSA-N -1 3 376.460 3.408 20 0 GGADHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000273166248 1434968342 /nfs/dbraw/zinc/96/83/42/1434968342.db2.gz BVSUIECNSAHFLP-OAHLLOKOSA-N -1 3 376.460 3.408 20 0 GGADHM CCCCCOc1ccc(C(=O)CCC(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000273168018 1434968371 /nfs/dbraw/zinc/96/83/71/1434968371.db2.gz CEABWUQGLJOJOZ-UHFFFAOYSA-N -1 3 397.475 3.299 20 0 GGADHM O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCc2c(=O)[n-]cnc2C1 ZINC000273201742 1434972005 /nfs/dbraw/zinc/97/20/05/1434972005.db2.gz ILXYOWNCXXGHDW-UHFFFAOYSA-N -1 3 380.835 3.460 20 0 GGADHM Cc1noc(C)c1CSc1ccccc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273297543 1434979105 /nfs/dbraw/zinc/97/91/05/1434979105.db2.gz VUCAXXUSTBVKII-UHFFFAOYSA-N -1 3 396.472 3.278 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1CO ZINC000273313226 1434979966 /nfs/dbraw/zinc/97/99/66/1434979966.db2.gz CRQJAENUVVKBFC-UHFFFAOYSA-N -1 3 387.404 3.022 20 0 GGADHM CS[C@@H]1CCCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000273342406 1434981973 /nfs/dbraw/zinc/98/19/73/1434981973.db2.gz QWHWRRHYXYMZQT-CQSZACIVSA-N -1 3 389.477 3.299 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273420717 1434987773 /nfs/dbraw/zinc/98/77/73/1434987773.db2.gz HCXOUERKEGHMAY-HZPDHXFCSA-N -1 3 375.396 3.199 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273420716 1434987855 /nfs/dbraw/zinc/98/78/55/1434987855.db2.gz HCXOUERKEGHMAY-HOTGVXAUSA-N -1 3 375.396 3.199 20 0 GGADHM Cc1csc([C@H](C)CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000273432218 1434988425 /nfs/dbraw/zinc/98/84/25/1434988425.db2.gz VZSMITWJTXWUMU-GFCCVEGCSA-N -1 3 397.504 3.170 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCOC3(CCCCC3)C2)c1 ZINC000273456458 1434990005 /nfs/dbraw/zinc/99/00/05/1434990005.db2.gz UVUMEUXOAGSZDV-UHFFFAOYSA-N -1 3 399.447 3.116 20 0 GGADHM Cc1cnc([C@@H](C)CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000273486749 1434991837 /nfs/dbraw/zinc/99/18/37/1434991837.db2.gz NHKZXHWXJVZXIX-LBPRGKRZSA-N -1 3 397.504 3.170 20 0 GGADHM CCCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)co1 ZINC000273561192 1434996791 /nfs/dbraw/zinc/99/67/91/1434996791.db2.gz XKCCVKXYOKEVEK-UHFFFAOYSA-N -1 3 391.371 3.270 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCCC3=O)cc2)cc1 ZINC000273580294 1434998133 /nfs/dbraw/zinc/99/81/33/1434998133.db2.gz FPMFPDTYABLYIQ-UHFFFAOYSA-N -1 3 386.473 3.089 20 0 GGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(OC(C)C)c3)no2)c(C)o1 ZINC000273744145 1435010155 /nfs/dbraw/zinc/01/01/55/1435010155.db2.gz BWVYFUKYOIHIAJ-UHFFFAOYSA-N -1 3 377.422 3.000 20 0 GGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(C)o1 ZINC000273757868 1435011260 /nfs/dbraw/zinc/01/12/60/1435011260.db2.gz ODFULHZVYBHUAL-UHFFFAOYSA-N -1 3 377.422 3.000 20 0 GGADHM COc1cc(C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000273824891 1435018569 /nfs/dbraw/zinc/01/85/69/1435018569.db2.gz GMWFWTHRDYJMMH-QGZVFWFLSA-N -1 3 391.439 3.380 20 0 GGADHM COc1ccc([O-])c(-c2nc(C[C@](O)(c3ccc(C)o3)C(F)(F)F)no2)c1 ZINC000273884728 1435025168 /nfs/dbraw/zinc/02/51/68/1435025168.db2.gz AGRFRFUBQXJWAJ-INIZCTEOSA-N -1 3 384.310 3.345 20 0 GGADHM COc1cc(C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc(OC)c1[O-] ZINC000273982880 1435034421 /nfs/dbraw/zinc/03/44/21/1435034421.db2.gz UXKZVCONTDDZAM-MRXNPFEDSA-N -1 3 395.415 3.041 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(CC(C(=O)Nc3cc(F)ccc3[O-])=NO2)CC1 ZINC000274152282 1435047230 /nfs/dbraw/zinc/04/72/30/1435047230.db2.gz FZZRNQJIGPJFEC-UHFFFAOYSA-N -1 3 393.415 3.016 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000274179478 1435048959 /nfs/dbraw/zinc/04/89/59/1435048959.db2.gz KCMWCCDTWLRIPX-GOSISDBHSA-N -1 3 375.469 3.447 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274179478 1435048962 /nfs/dbraw/zinc/04/89/62/1435048962.db2.gz KCMWCCDTWLRIPX-GOSISDBHSA-N -1 3 375.469 3.447 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000274367585 1435065542 /nfs/dbraw/zinc/06/55/42/1435065542.db2.gz PATIHYQTEOEGHS-ZWKOTPCHSA-N -1 3 398.507 3.194 20 0 GGADHM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@@H](c1ccccc1)N(C)C ZINC000274617825 1435081278 /nfs/dbraw/zinc/08/12/78/1435081278.db2.gz YURQZIQMCVZYBM-SJCJKPOMSA-N -1 3 382.489 3.045 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)CCCCC2)no1 ZINC000274652490 1435083384 /nfs/dbraw/zinc/08/33/84/1435083384.db2.gz FGAFVWOVNNMTSF-UHFFFAOYSA-N -1 3 378.429 3.136 20 0 GGADHM O=C(c1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1)N1CCc2ccccc21 ZINC000274788690 1435092594 /nfs/dbraw/zinc/09/25/94/1435092594.db2.gz NDIUTAOMQQAVTQ-LJQANCHMSA-N -1 3 381.432 3.469 20 0 GGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000274788690 1435092596 /nfs/dbraw/zinc/09/25/96/1435092596.db2.gz NDIUTAOMQQAVTQ-LJQANCHMSA-N -1 3 381.432 3.469 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000274856379 1435098250 /nfs/dbraw/zinc/09/82/50/1435098250.db2.gz YUADZKVXVVIHQR-UHFFFAOYSA-N -1 3 398.488 3.154 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000274902175 1435102447 /nfs/dbraw/zinc/10/24/47/1435102447.db2.gz PVMOWLCUICLALA-OAHLLOKOSA-N -1 3 394.859 3.326 20 0 GGADHM COC(=O)c1cnc(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)[n-]1 ZINC000274960622 1435106200 /nfs/dbraw/zinc/10/62/00/1435106200.db2.gz UWZHNHNNCIRTQY-UHFFFAOYSA-N -1 3 399.476 3.038 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)[n-]1 ZINC000274980936 1435107488 /nfs/dbraw/zinc/10/74/88/1435107488.db2.gz XQVGMBOXFZIBRF-UHFFFAOYSA-N -1 3 399.472 3.109 20 0 GGADHM COCCOc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1F ZINC000275005168 1435109121 /nfs/dbraw/zinc/10/91/21/1435109121.db2.gz ORHIRVRHDMQEIP-UHFFFAOYSA-N -1 3 390.367 3.291 20 0 GGADHM COc1cc(-c2nc(-c3ccc(C(=O)NC4CC4)cc3)no2)cc(OC)c1[O-] ZINC000275034811 1435111657 /nfs/dbraw/zinc/11/16/57/1435111657.db2.gz WXIFIVNGXZPRFL-UHFFFAOYSA-N -1 3 381.388 3.019 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000275436858 1435139142 /nfs/dbraw/zinc/13/91/42/1435139142.db2.gz JXCOLJLEUURASY-UHFFFAOYSA-N -1 3 375.450 3.246 20 0 GGADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000275497157 1435143578 /nfs/dbraw/zinc/14/35/78/1435143578.db2.gz RRDBEVOOSMHZIG-SFHVURJKSA-N -1 3 393.484 3.280 20 0 GGADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000275497157 1435143581 /nfs/dbraw/zinc/14/35/81/1435143581.db2.gz RRDBEVOOSMHZIG-SFHVURJKSA-N -1 3 393.484 3.280 20 0 GGADHM CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000275716201 1435162293 /nfs/dbraw/zinc/16/22/93/1435162293.db2.gz VNFQQAWEMHBHJB-ZFWWWQNUSA-N -1 3 385.361 3.310 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@H](CC)CC[C@@H]3C)c2)n1 ZINC000275932276 1435180604 /nfs/dbraw/zinc/18/06/04/1435180604.db2.gz ADAKXTXKLCQGCI-SUMWQHHRSA-N -1 3 382.464 3.140 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000276336577 1435205641 /nfs/dbraw/zinc/20/56/41/1435205641.db2.gz LQFRYSOATFKRKL-AWEZNQCLSA-N -1 3 394.397 3.285 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CSc3nc(C)co3)nc(=O)c2c1C ZINC000276533689 1435216116 /nfs/dbraw/zinc/21/61/16/1435216116.db2.gz GGKMAASSVYXYQR-UHFFFAOYSA-N -1 3 395.462 3.097 20 0 GGADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000276840462 1435236697 /nfs/dbraw/zinc/23/66/97/1435236697.db2.gz YBTQAFNHIFCAID-NSHDSACASA-N -1 3 378.436 3.386 20 0 GGADHM CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000277179714 1435274303 /nfs/dbraw/zinc/27/43/03/1435274303.db2.gz UNNWVPUNXKDIKJ-MAUKXSAKSA-N -1 3 394.899 3.428 20 0 GGADHM COc1ccc(-c2ccncc2)cc1CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000277259927 1435286290 /nfs/dbraw/zinc/28/62/90/1435286290.db2.gz KQAIEKMPJXDJMP-QGZVFWFLSA-N -1 3 386.448 3.032 20 0 GGADHM COc1ccc(OC)c(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000277319454 1435293730 /nfs/dbraw/zinc/29/37/30/1435293730.db2.gz NVKUDYOCYPAVQU-SFHVURJKSA-N -1 3 391.489 3.059 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277442047 1435305062 /nfs/dbraw/zinc/30/50/62/1435305062.db2.gz JNESXZISBLRBGB-UHFFFAOYSA-N -1 3 381.350 3.240 20 0 GGADHM COC(=O)c1cccc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)n1 ZINC000277520595 1435309889 /nfs/dbraw/zinc/30/98/89/1435309889.db2.gz KYYIXZYCNDMPDZ-AWEZNQCLSA-N -1 3 394.456 3.440 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(F)ccc3Cl)CC2)[n-]1 ZINC000277633094 1435317904 /nfs/dbraw/zinc/31/79/04/1435317904.db2.gz BTMCPQIFWBXUKX-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(F)ccc3Cl)CC2)n[n-]1 ZINC000277633094 1435317905 /nfs/dbraw/zinc/31/79/05/1435317905.db2.gz BTMCPQIFWBXUKX-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)[n-]1 ZINC000277677853 1435321280 /nfs/dbraw/zinc/32/12/80/1435321280.db2.gz KHJQUKONCAJNTL-UHFFFAOYSA-N -1 3 390.871 3.271 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)n[n-]1 ZINC000277677853 1435321283 /nfs/dbraw/zinc/32/12/83/1435321283.db2.gz KHJQUKONCAJNTL-UHFFFAOYSA-N -1 3 390.871 3.271 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(SC)c3)CC2)[n-]1 ZINC000277708013 1435323553 /nfs/dbraw/zinc/32/35/53/1435323553.db2.gz DXJJKCWVDCFNMF-UHFFFAOYSA-N -1 3 389.481 3.115 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(SC)c3)CC2)n[n-]1 ZINC000277708013 1435323555 /nfs/dbraw/zinc/32/35/55/1435323555.db2.gz DXJJKCWVDCFNMF-UHFFFAOYSA-N -1 3 389.481 3.115 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](CC)c3ccc(F)cc3)CC2)[n-]1 ZINC000277785329 1435330150 /nfs/dbraw/zinc/33/01/50/1435330150.db2.gz SDBKOAWXARWZFP-INIZCTEOSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](CC)c3ccc(F)cc3)CC2)n[n-]1 ZINC000277785329 1435330152 /nfs/dbraw/zinc/33/01/52/1435330152.db2.gz SDBKOAWXARWZFP-INIZCTEOSA-N -1 3 388.443 3.020 20 0 GGADHM CCOc1ccccc1NC(=O)Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000277790905 1435330891 /nfs/dbraw/zinc/33/08/91/1435330891.db2.gz GWRMGZIPMZGOGG-UHFFFAOYSA-N -1 3 399.403 3.039 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3coc4cc(C)c(C)cc34)CC2)[n-]1 ZINC000277791929 1435330906 /nfs/dbraw/zinc/33/09/06/1435330906.db2.gz SRCUZVLBGJIKSV-UHFFFAOYSA-N -1 3 396.447 3.364 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3coc4cc(C)c(C)cc34)CC2)n[n-]1 ZINC000277791929 1435330907 /nfs/dbraw/zinc/33/09/07/1435330907.db2.gz SRCUZVLBGJIKSV-UHFFFAOYSA-N -1 3 396.447 3.364 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)[n-]1 ZINC000277797843 1435331272 /nfs/dbraw/zinc/33/12/72/1435331272.db2.gz NXQOIRRXMMXARP-QGZVFWFLSA-N -1 3 399.495 3.268 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)n[n-]1 ZINC000277797843 1435331273 /nfs/dbraw/zinc/33/12/73/1435331273.db2.gz NXQOIRRXMMXARP-QGZVFWFLSA-N -1 3 399.495 3.268 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)[n-]1 ZINC000277820498 1435333605 /nfs/dbraw/zinc/33/36/05/1435333605.db2.gz VOBBLJNAECJHCJ-UHFFFAOYSA-N -1 3 384.461 3.216 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)n[n-]1 ZINC000277820498 1435333607 /nfs/dbraw/zinc/33/36/07/1435333607.db2.gz VOBBLJNAECJHCJ-UHFFFAOYSA-N -1 3 384.461 3.216 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)[n-]1 ZINC000277834013 1435334668 /nfs/dbraw/zinc/33/46/68/1435334668.db2.gz RKCWESKKAWWYFF-KRWDZBQOSA-N -1 3 397.479 3.022 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)n[n-]1 ZINC000277834013 1435334669 /nfs/dbraw/zinc/33/46/69/1435334669.db2.gz RKCWESKKAWWYFF-KRWDZBQOSA-N -1 3 397.479 3.022 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C=Cc3cc4ccccc4o3)CC2)[n-]1 ZINC000277840539 1435334969 /nfs/dbraw/zinc/33/49/69/1435334969.db2.gz WVJPNLNERIZCAK-BQYQJAHWSA-N -1 3 394.431 3.147 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C=Cc3cc4ccccc4o3)CC2)n[n-]1 ZINC000277840539 1435334971 /nfs/dbraw/zinc/33/49/71/1435334971.db2.gz WVJPNLNERIZCAK-BQYQJAHWSA-N -1 3 394.431 3.147 20 0 GGADHM Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1OCC1CCOCC1 ZINC000277870431 1435337903 /nfs/dbraw/zinc/33/79/03/1435337903.db2.gz AVGLAURXUABHPG-AWEZNQCLSA-N -1 3 386.370 3.178 20 0 GGADHM COc1ccc(CNC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000277894540 1435340076 /nfs/dbraw/zinc/34/00/76/1435340076.db2.gz JTHZCMIHFPGAAT-UHFFFAOYSA-N -1 3 381.432 3.433 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000277895714 1435340285 /nfs/dbraw/zinc/34/02/85/1435340285.db2.gz FXXPSFSJRPMVSZ-BONVTDFDSA-N -1 3 382.386 3.188 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)c(=O)[n-]1 ZINC000278062199 1435355404 /nfs/dbraw/zinc/35/54/04/1435355404.db2.gz KJCXINQGJMFRNT-UHFFFAOYSA-N -1 3 387.390 3.049 20 0 GGADHM C[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)c3cccc(F)c3)no2)c(C)o1 ZINC000278096848 1435358814 /nfs/dbraw/zinc/35/88/14/1435358814.db2.gz ZEGFWAKNNQNQHB-UHFFFAOYSA-N -1 3 379.413 3.011 20 0 GGADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000278191173 1435368130 /nfs/dbraw/zinc/36/81/30/1435368130.db2.gz DUUFIIDIXJVYCF-UHFFFAOYSA-N -1 3 389.477 3.262 20 0 GGADHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1OCc1ccncc1 ZINC000278270128 1435375227 /nfs/dbraw/zinc/37/52/27/1435375227.db2.gz VCPWGBQPBKRIHW-ZDUSSCGKSA-N -1 3 395.337 3.046 20 0 GGADHM COCCc1nc2cc([N-]S(=O)(=O)Cc3ccc(C)cc3F)ccc2o1 ZINC000278544314 1435398877 /nfs/dbraw/zinc/39/88/77/1435398877.db2.gz XYLTVXQLROBUHS-UHFFFAOYSA-N -1 3 378.425 3.406 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](C)c3ccc(CC)cc3)CC2)[n-]1 ZINC000278595906 1435403730 /nfs/dbraw/zinc/40/37/30/1435403730.db2.gz DQIZEVJREKSYRY-HNNXBMFYSA-N -1 3 398.507 3.444 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](C)c3ccc(CC)cc3)CC2)n[n-]1 ZINC000278595906 1435403734 /nfs/dbraw/zinc/40/37/34/1435403734.db2.gz DQIZEVJREKSYRY-HNNXBMFYSA-N -1 3 398.507 3.444 20 0 GGADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000278618059 1435406432 /nfs/dbraw/zinc/40/64/32/1435406432.db2.gz WUAVHYGVDQMMKO-UHFFFAOYSA-N -1 3 377.466 3.254 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)NCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000278636527 1435408330 /nfs/dbraw/zinc/40/83/30/1435408330.db2.gz MPZZUENEPQQDFV-TZMCWYRMSA-N -1 3 381.448 3.119 20 0 GGADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000278645133 1435409441 /nfs/dbraw/zinc/40/94/41/1435409441.db2.gz ZOFXUCZNVJQNBW-UHFFFAOYSA-N -1 3 377.466 3.336 20 0 GGADHM CCOCN(C(=O)CSc1ncc(C(=O)OC)[n-]1)c1c(C)cccc1CC ZINC000278668231 1435412197 /nfs/dbraw/zinc/41/21/97/1435412197.db2.gz NWIQAGFNBRBLHK-UHFFFAOYSA-N -1 3 391.493 3.186 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278848828 1435430728 /nfs/dbraw/zinc/43/07/28/1435430728.db2.gz DUYKFJMOPKLWBB-CYBMUJFWSA-N -1 3 381.835 3.044 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1c[nH]c2ccccc21 ZINC000279187738 1435468997 /nfs/dbraw/zinc/46/89/97/1435468997.db2.gz MQQXTRLWDGHJJA-MRXNPFEDSA-N -1 3 391.471 3.352 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC2(CCOCC2)O1 ZINC000279224072 1435473409 /nfs/dbraw/zinc/47/34/09/1435473409.db2.gz OGEJCFUSGQMYBX-QGZVFWFLSA-N -1 3 381.472 3.393 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCSC1 ZINC000279251777 1435477561 /nfs/dbraw/zinc/47/75/61/1435477561.db2.gz RZRLIPQFESPJPV-DNVCBOLYSA-N -1 3 384.501 3.123 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCSC1 ZINC000279251773 1435477593 /nfs/dbraw/zinc/47/75/93/1435477593.db2.gz RZRLIPQFESPJPV-BEFAXECRSA-N -1 3 384.501 3.123 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000279349143 1435489710 /nfs/dbraw/zinc/48/97/10/1435489710.db2.gz TURCWWALJYTDTQ-ZDUSSCGKSA-N -1 3 388.443 3.006 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000279557187 1435513019 /nfs/dbraw/zinc/51/30/19/1435513019.db2.gz RLYIGCQPNUQVGL-HXUWFJFHSA-N -1 3 399.516 3.361 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccccn2)cc1 ZINC000279642154 1435522808 /nfs/dbraw/zinc/52/28/08/1435522808.db2.gz ISQSYGHMUYBKNY-OAQYLSRUSA-N -1 3 376.460 3.341 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCN1C1CC1 ZINC000279682806 1435529005 /nfs/dbraw/zinc/52/90/05/1435529005.db2.gz HJRRYNJBYFKKBE-IBGZPJMESA-N -1 3 385.489 3.053 20 0 GGADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000279710310 1435533650 /nfs/dbraw/zinc/53/36/50/1435533650.db2.gz ASKGGIJIXYGWTD-TZMCWYRMSA-N -1 3 392.883 3.228 20 0 GGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(N3CCOC3=O)c2)cc1 ZINC000280043387 1435582135 /nfs/dbraw/zinc/58/21/35/1435582135.db2.gz XGWMNJVLFAPATG-UHFFFAOYSA-N -1 3 394.424 3.370 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)ccc1OC(C)C ZINC000280305014 1435631236 /nfs/dbraw/zinc/63/12/36/1435631236.db2.gz NXQUJMHDFCAJAY-AWEZNQCLSA-N -1 3 379.482 3.200 20 0 GGADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000280457226 1435663925 /nfs/dbraw/zinc/66/39/25/1435663925.db2.gz GVDDHYNHELCACR-VHSXEESVSA-N -1 3 392.399 3.021 20 0 GGADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C ZINC000280564429 1435680680 /nfs/dbraw/zinc/68/06/80/1435680680.db2.gz KVZYKEVVLKOZGD-LLVKDONJSA-N -1 3 376.434 3.298 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3CCC(C)=C(C)C3)nc(=O)c2c1C ZINC000280832140 1435727799 /nfs/dbraw/zinc/72/77/99/1435727799.db2.gz WCCBOQLNRHPGRZ-UHFFFAOYSA-N -1 3 391.493 3.051 20 0 GGADHM COc1ccc([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCCC2)cc1 ZINC000280832272 1435727859 /nfs/dbraw/zinc/72/78/59/1435727859.db2.gz UJWFTYNPFBRNGW-MRXNPFEDSA-N -1 3 376.403 3.246 20 0 GGADHM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000280834763 1435728326 /nfs/dbraw/zinc/72/83/26/1435728326.db2.gz UDBWSIAGBYBLCO-GFCCVEGCSA-N -1 3 393.409 3.052 20 0 GGADHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000280959494 1435747994 /nfs/dbraw/zinc/74/79/94/1435747994.db2.gz NDFYDQHUXCVZAF-UHFFFAOYSA-N -1 3 391.418 3.073 20 0 GGADHM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc2c(c1)CCO2 ZINC000281008991 1435755489 /nfs/dbraw/zinc/75/54/89/1435755489.db2.gz QNVRZRZQQBHLLU-UHFFFAOYSA-N -1 3 380.416 3.003 20 0 GGADHM CC[C@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281012708 1435756248 /nfs/dbraw/zinc/75/62/48/1435756248.db2.gz MWUGGRKXUHBJNP-OAHLLOKOSA-N -1 3 385.430 3.280 20 0 GGADHM COc1cc(NCc2c(F)ccc([O-])c2F)ccc1S(=O)(=O)N1CCCC1 ZINC000281021907 1435758182 /nfs/dbraw/zinc/75/81/82/1435758182.db2.gz OMSIJMPBEPZLHP-UHFFFAOYSA-N -1 3 398.431 3.076 20 0 GGADHM C[C@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000281212677 1435797087 /nfs/dbraw/zinc/79/70/87/1435797087.db2.gz NWVKEWIHJBURCB-GFCCVEGCSA-N -1 3 389.393 3.029 20 0 GGADHM CCCn1c2ccccc2nc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281271154 1435801766 /nfs/dbraw/zinc/80/17/66/1435801766.db2.gz NUCQDLMRGHZOEL-UHFFFAOYSA-N -1 3 382.430 3.337 20 0 GGADHM C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281296758 1435802858 /nfs/dbraw/zinc/80/28/58/1435802858.db2.gz JRGRMSDEUKGALG-LBPRGKRZSA-N -1 3 382.386 3.188 20 0 GGADHM CCc1ccc(-c2noc(CN3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2)cc1 ZINC000281444924 1435809255 /nfs/dbraw/zinc/80/92/55/1435809255.db2.gz UGMLORLNOBNVPU-UHFFFAOYSA-N -1 3 396.413 3.190 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281482570 1435810755 /nfs/dbraw/zinc/81/07/55/1435810755.db2.gz WRDIWJRHIGUJEN-UHFFFAOYSA-N -1 3 399.457 3.447 20 0 GGADHM O=C([N-]CC1CCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1)C(F)(F)F ZINC000281499561 1435811415 /nfs/dbraw/zinc/81/14/15/1435811415.db2.gz WQTSIEPYWSCZOS-UHFFFAOYSA-N -1 3 398.429 3.209 20 0 GGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281710384 1435819088 /nfs/dbraw/zinc/81/90/88/1435819088.db2.gz MSPRZOHYULTMBZ-QGZVFWFLSA-N -1 3 384.442 3.418 20 0 GGADHM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@@H](C)c1ccccc1 ZINC000281726993 1435819720 /nfs/dbraw/zinc/81/97/20/1435819720.db2.gz CMZJPEUMDIRVOV-ZIAGYGMSSA-N -1 3 385.430 3.279 20 0 GGADHM CO[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H](C)C1 ZINC000281782373 1435821879 /nfs/dbraw/zinc/82/18/79/1435821879.db2.gz NDZBMAQXAYDTEC-ZLGUVYLKSA-N -1 3 396.487 3.279 20 0 GGADHM O=C(C[C@@H]1CCc2ccccc2C1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281800752 1435822500 /nfs/dbraw/zinc/82/25/00/1435822500.db2.gz SWXRZPILKJXBQV-OAHLLOKOSA-N -1 3 382.426 3.099 20 0 GGADHM O=C([N-]CC1CCN(C(=O)c2cccn2Cc2cccs2)CC1)C(F)(F)F ZINC000281825741 1435823340 /nfs/dbraw/zinc/82/33/40/1435823340.db2.gz WCFFQWOILQYPMC-UHFFFAOYSA-N -1 3 399.438 3.129 20 0 GGADHM COc1cccc([C@@H](C)CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281863724 1435824719 /nfs/dbraw/zinc/82/47/19/1435824719.db2.gz YXDBEBSYTMAIPU-ZDUSSCGKSA-N -1 3 386.414 3.106 20 0 GGADHM O=C([N-]CC1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1)C(F)(F)F ZINC000281868898 1435824776 /nfs/dbraw/zinc/82/47/76/1435824776.db2.gz ZHBHCJSOTXCSNL-UHFFFAOYSA-N -1 3 388.817 3.289 20 0 GGADHM COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000281922537 1435827023 /nfs/dbraw/zinc/82/70/23/1435827023.db2.gz HCTDURHUGMDVLX-RUZDIDTESA-N -1 3 399.509 3.138 20 0 GGADHM COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000281922540 1435827025 /nfs/dbraw/zinc/82/70/25/1435827025.db2.gz HCTDURHUGMDVLX-VWLOTQADSA-N -1 3 399.509 3.138 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3C[C@H](OC)Cc4ccccc43)nc(=O)c2c1C ZINC000281930929 1435827350 /nfs/dbraw/zinc/82/73/50/1435827350.db2.gz AXZKBQINJQOCSJ-CYBMUJFWSA-N -1 3 399.472 3.070 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000282029811 1435831759 /nfs/dbraw/zinc/83/17/59/1435831759.db2.gz KCJWJPPSXYVVIF-GFCCVEGCSA-N -1 3 393.390 3.496 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)ccc1N1C(=O)CCC1=O ZINC000282037378 1435832091 /nfs/dbraw/zinc/83/20/91/1435832091.db2.gz SAAVMZGFTINVKR-UHFFFAOYSA-N -1 3 390.436 3.205 20 0 GGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000282077715 1435833628 /nfs/dbraw/zinc/83/36/28/1435833628.db2.gz NUZRBXFDEKHEMP-LBPRGKRZSA-N -1 3 381.411 3.364 20 0 GGADHM COc1cc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc(OC)c1[O-] ZINC000282236053 1435839498 /nfs/dbraw/zinc/83/94/98/1435839498.db2.gz UQTSYOBLHWLITI-FQEVSTJZSA-N -1 3 391.851 3.194 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)[n-]1 ZINC000282271647 1435841116 /nfs/dbraw/zinc/84/11/16/1435841116.db2.gz JQWHWNBWMXKEIW-UHFFFAOYSA-N -1 3 396.491 3.271 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)n[n-]1 ZINC000282271647 1435841117 /nfs/dbraw/zinc/84/11/17/1435841117.db2.gz JQWHWNBWMXKEIW-UHFFFAOYSA-N -1 3 396.491 3.271 20 0 GGADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000282273674 1435841189 /nfs/dbraw/zinc/84/11/89/1435841189.db2.gz DKKMKDIHAUCKQA-JKDFXYPNSA-N -1 3 380.872 3.036 20 0 GGADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000282634719 1435854458 /nfs/dbraw/zinc/85/44/58/1435854458.db2.gz YXQYESSOTAEZMS-XCLFUZPHSA-N -1 3 398.438 3.152 20 0 GGADHM CC(C)(C)n1ncnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000282639549 1435854746 /nfs/dbraw/zinc/85/47/46/1435854746.db2.gz BOECDNKLSUBJHC-UHFFFAOYSA-N -1 3 391.903 3.243 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000283312167 1435883786 /nfs/dbraw/zinc/88/37/86/1435883786.db2.gz AQLNVAYYQCRBRW-UHFFFAOYSA-N -1 3 398.438 3.047 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc2CC1 ZINC000283797317 1435926307 /nfs/dbraw/zinc/92/63/07/1435926307.db2.gz GLDFVSGOPHFHNP-UHFFFAOYSA-N -1 3 396.871 3.227 20 0 GGADHM CCOc1cc(CN2CCN(Cc3c(C)noc3C)CC2)cc(Cl)c1[O-] ZINC000284042281 1435978935 /nfs/dbraw/zinc/97/89/35/1435978935.db2.gz LVFVZCIPLJDYCX-UHFFFAOYSA-N -1 3 379.888 3.367 20 0 GGADHM Cc1ccc2c(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc(=O)oc2c1C ZINC000826293095 1441441971 /nfs/dbraw/zinc/44/19/71/1441441971.db2.gz AYFRQAFEEGFACF-UHFFFAOYSA-N -1 3 387.443 3.369 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)CCOc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000821508991 1441518534 /nfs/dbraw/zinc/51/85/34/1441518534.db2.gz CYSHWJDEHRJDSZ-MRXNPFEDSA-N -1 3 384.509 3.274 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)CCOc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000821508991 1441518536 /nfs/dbraw/zinc/51/85/36/1441518536.db2.gz CYSHWJDEHRJDSZ-MRXNPFEDSA-N -1 3 384.509 3.274 20 0 GGADHM Cc1sc(NC(=O)CNC(C)(C)c2cccc(C)c2)c(-c2nn[n-]n2)c1C ZINC000826296197 1441539789 /nfs/dbraw/zinc/53/97/89/1441539789.db2.gz MLTWKHQMVRPXRV-UHFFFAOYSA-N -1 3 384.509 3.317 20 0 GGADHM Cc1sc(NC(=O)CNC(C)(C)c2cccc(C)c2)c(-c2nnn[n-]2)c1C ZINC000826296197 1441539792 /nfs/dbraw/zinc/53/97/92/1441539792.db2.gz MLTWKHQMVRPXRV-UHFFFAOYSA-N -1 3 384.509 3.317 20 0 GGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000821154838 1441564331 /nfs/dbraw/zinc/56/43/31/1441564331.db2.gz STBNPBGGXYIFRI-WMLDXEAASA-N -1 3 396.520 3.226 20 0 GGADHM Cc1ccc(CN2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000826288118 1441568178 /nfs/dbraw/zinc/56/81/78/1441568178.db2.gz RTKSITCKVCRKTL-UHFFFAOYSA-N -1 3 394.454 3.165 20 0 GGADHM Cc1ccc(CN2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000826288118 1441568180 /nfs/dbraw/zinc/56/81/80/1441568180.db2.gz RTKSITCKVCRKTL-UHFFFAOYSA-N -1 3 394.454 3.165 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](c2cccs2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826349632 1441583352 /nfs/dbraw/zinc/58/33/52/1441583352.db2.gz OGTGEKHVIAIXHN-HNNXBMFYSA-N -1 3 388.522 3.286 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](c2cccs2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826349632 1441583356 /nfs/dbraw/zinc/58/33/56/1441583356.db2.gz OGTGEKHVIAIXHN-HNNXBMFYSA-N -1 3 388.522 3.286 20 0 GGADHM Fc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822765937 1441611377 /nfs/dbraw/zinc/61/13/77/1441611377.db2.gz BRYZNSPJQWKMDO-LJQANCHMSA-N -1 3 381.455 3.230 20 0 GGADHM Fc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822765937 1441611382 /nfs/dbraw/zinc/61/13/82/1441611382.db2.gz BRYZNSPJQWKMDO-LJQANCHMSA-N -1 3 381.455 3.230 20 0 GGADHM OCCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000826509758 1441616496 /nfs/dbraw/zinc/61/64/96/1441616496.db2.gz ITWWAFTVIXOUPA-UHFFFAOYSA-N -1 3 378.263 3.168 20 0 GGADHM C[C@H]1Cc2ccccc2N1C1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000825012758 1441618947 /nfs/dbraw/zinc/61/89/47/1441618947.db2.gz LHHUBFHIPVSSBN-AWEZNQCLSA-N -1 3 380.521 3.344 20 0 GGADHM C[C@H]1Cc2ccccc2N1C1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825012758 1441618949 /nfs/dbraw/zinc/61/89/49/1441618949.db2.gz LHHUBFHIPVSSBN-AWEZNQCLSA-N -1 3 380.521 3.344 20 0 GGADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)c1ccccc1 ZINC000824633984 1441619887 /nfs/dbraw/zinc/61/98/87/1441619887.db2.gz SMDRGKDSUMQHMG-AWEZNQCLSA-N -1 3 389.463 3.373 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820668327 1441623145 /nfs/dbraw/zinc/62/31/45/1441623145.db2.gz RPYWTGOESSJTTH-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668327 1441623147 /nfs/dbraw/zinc/62/31/47/1441623147.db2.gz RPYWTGOESSJTTH-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM COc1ccc(Oc2cc(CNCc3cc(-c4nn[n-]n4)cs3)ccn2)cc1 ZINC000821845943 1441631862 /nfs/dbraw/zinc/63/18/62/1441631862.db2.gz MFGURJOJDBFDHE-UHFFFAOYSA-N -1 3 394.460 3.414 20 0 GGADHM C[C@@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(C(C)(C)C)cc1 ZINC000824563405 1441677421 /nfs/dbraw/zinc/67/74/21/1441677421.db2.gz NTDOZOGUKVNIOW-OAHLLOKOSA-N -1 3 392.507 3.131 20 0 GGADHM C[C@@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(C(C)(C)C)cc1 ZINC000824563405 1441677429 /nfs/dbraw/zinc/67/74/29/1441677429.db2.gz NTDOZOGUKVNIOW-OAHLLOKOSA-N -1 3 392.507 3.131 20 0 GGADHM C[C@H](NC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1)c1c(F)cccc1F ZINC000736134881 1441682415 /nfs/dbraw/zinc/68/24/15/1441682415.db2.gz WBSPGNQKAACXBV-ZDUSSCGKSA-N -1 3 384.434 3.465 20 0 GGADHM C[C@H](NC1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1)c1c(F)cccc1F ZINC000736134881 1441682416 /nfs/dbraw/zinc/68/24/16/1441682416.db2.gz WBSPGNQKAACXBV-ZDUSSCGKSA-N -1 3 384.434 3.465 20 0 GGADHM O[C@@H](CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510696 1441698112 /nfs/dbraw/zinc/69/81/12/1441698112.db2.gz GGURZNDKZDCNTA-IBGZPJMESA-N -1 3 399.882 3.097 20 0 GGADHM O[C@@H](CN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510696 1441698115 /nfs/dbraw/zinc/69/81/15/1441698115.db2.gz GGURZNDKZDCNTA-IBGZPJMESA-N -1 3 399.882 3.097 20 0 GGADHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c2cc(F)ccc2n1 ZINC000826269816 1441700521 /nfs/dbraw/zinc/70/05/21/1441700521.db2.gz YIRXKSQAKQOBCP-HXUWFJFHSA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c2cc(F)ccc2n1 ZINC000826269816 1441700526 /nfs/dbraw/zinc/70/05/26/1441700526.db2.gz YIRXKSQAKQOBCP-HXUWFJFHSA-N -1 3 390.422 3.440 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C1CC1 ZINC000820862240 1441732412 /nfs/dbraw/zinc/73/24/12/1441732412.db2.gz PWVJMXBVZZWBQE-ZYHUDNBSSA-N -1 3 376.530 3.383 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CC1 ZINC000820862240 1441732415 /nfs/dbraw/zinc/73/24/15/1441732415.db2.gz PWVJMXBVZZWBQE-ZYHUDNBSSA-N -1 3 376.530 3.383 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(C)(c2ccccc2)CC1 ZINC000824046771 1441734592 /nfs/dbraw/zinc/73/45/92/1441734592.db2.gz UWPSZRNZWBHCOW-MRXNPFEDSA-N -1 3 390.491 3.247 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(C)(c2ccccc2)CC1 ZINC000824046771 1441734597 /nfs/dbraw/zinc/73/45/97/1441734597.db2.gz UWPSZRNZWBHCOW-MRXNPFEDSA-N -1 3 390.491 3.247 20 0 GGADHM O[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681719 1441779759 /nfs/dbraw/zinc/77/97/59/1441779759.db2.gz JKHQGEVNXDFHAK-LEWJYISDSA-N -1 3 389.434 3.418 20 0 GGADHM O[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681719 1441779762 /nfs/dbraw/zinc/77/97/62/1441779762.db2.gz JKHQGEVNXDFHAK-LEWJYISDSA-N -1 3 389.434 3.418 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000737504454 1441799110 /nfs/dbraw/zinc/79/91/10/1441799110.db2.gz ZERHCHZLMPJUFN-UHFFFAOYSA-N -1 3 377.427 3.098 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1cccc(-c2nnn[n-]2)c1 ZINC000737504454 1441799113 /nfs/dbraw/zinc/79/91/13/1441799113.db2.gz ZERHCHZLMPJUFN-UHFFFAOYSA-N -1 3 377.427 3.098 20 0 GGADHM Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000822233435 1441839176 /nfs/dbraw/zinc/83/91/76/1441839176.db2.gz OTMXBXCBXOTQSY-NVXWUHKLSA-N -1 3 396.520 3.443 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000826168627 1441851712 /nfs/dbraw/zinc/85/17/12/1441851712.db2.gz TUZPSOGBDRXBEQ-FQEVSTJZSA-N -1 3 393.491 3.137 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000826168627 1441851713 /nfs/dbraw/zinc/85/17/13/1441851713.db2.gz TUZPSOGBDRXBEQ-FQEVSTJZSA-N -1 3 393.491 3.137 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820412957 1441880194 /nfs/dbraw/zinc/88/01/94/1441880194.db2.gz NRALQVJMPZFWPA-IAGOWNOFSA-N -1 3 392.507 3.343 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820412957 1441880197 /nfs/dbraw/zinc/88/01/97/1441880197.db2.gz NRALQVJMPZFWPA-IAGOWNOFSA-N -1 3 392.507 3.343 20 0 GGADHM CC(C)CC[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820072104 1441885133 /nfs/dbraw/zinc/88/51/33/1441885133.db2.gz BODALYHFPSJMFM-AWEZNQCLSA-N -1 3 376.892 3.359 20 0 GGADHM CC(C)CC[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820072104 1441885137 /nfs/dbraw/zinc/88/51/37/1441885137.db2.gz BODALYHFPSJMFM-AWEZNQCLSA-N -1 3 376.892 3.359 20 0 GGADHM CCN(Cc1ccc(Cl)s1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825435486 1441957936 /nfs/dbraw/zinc/95/79/36/1441957936.db2.gz ZVCYINKQTPCVRW-UHFFFAOYSA-N -1 3 391.884 3.390 20 0 GGADHM CCN(Cc1ccc(Cl)s1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825435486 1441957939 /nfs/dbraw/zinc/95/79/39/1441957939.db2.gz ZVCYINKQTPCVRW-UHFFFAOYSA-N -1 3 391.884 3.390 20 0 GGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000736198262 1441967452 /nfs/dbraw/zinc/96/74/52/1441967452.db2.gz RTQFNMFLSBRLGL-KRWDZBQOSA-N -1 3 399.502 3.294 20 0 GGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000736198262 1441967455 /nfs/dbraw/zinc/96/74/55/1441967455.db2.gz RTQFNMFLSBRLGL-KRWDZBQOSA-N -1 3 399.502 3.294 20 0 GGADHM COc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821818195 1441980631 /nfs/dbraw/zinc/98/06/31/1441980631.db2.gz KUJNSRDGHUOYOA-UHFFFAOYSA-N -1 3 381.333 3.323 20 0 GGADHM COc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821818195 1441980633 /nfs/dbraw/zinc/98/06/33/1441980633.db2.gz KUJNSRDGHUOYOA-UHFFFAOYSA-N -1 3 381.333 3.323 20 0 GGADHM C[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824572140 1441992318 /nfs/dbraw/zinc/99/23/18/1441992318.db2.gz SZMMKTKAWDHLEX-XXFAHNHDSA-N -1 3 379.798 3.183 20 0 GGADHM C[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572140 1441992320 /nfs/dbraw/zinc/99/23/20/1441992320.db2.gz SZMMKTKAWDHLEX-XXFAHNHDSA-N -1 3 379.798 3.183 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801679 1441995555 /nfs/dbraw/zinc/99/55/55/1441995555.db2.gz GCPHISMGDOKFIZ-LJQANCHMSA-N -1 3 396.539 3.117 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824801679 1441995558 /nfs/dbraw/zinc/99/55/58/1441995558.db2.gz GCPHISMGDOKFIZ-LJQANCHMSA-N -1 3 396.539 3.117 20 0 GGADHM CCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825722429 1442027443 /nfs/dbraw/zinc/02/74/43/1442027443.db2.gz FWBALYMWGSVIQK-AWEZNQCLSA-N -1 3 378.480 3.281 20 0 GGADHM CCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825722429 1442027446 /nfs/dbraw/zinc/02/74/46/1442027446.db2.gz FWBALYMWGSVIQK-AWEZNQCLSA-N -1 3 378.480 3.281 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824385610 1442054495 /nfs/dbraw/zinc/05/44/95/1442054495.db2.gz XPXDFBLEWDGVJI-LLVKDONJSA-N -1 3 388.834 3.166 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824385610 1442054496 /nfs/dbraw/zinc/05/44/96/1442054496.db2.gz XPXDFBLEWDGVJI-LLVKDONJSA-N -1 3 388.834 3.166 20 0 GGADHM CN(C)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821581522 1442069256 /nfs/dbraw/zinc/06/92/56/1442069256.db2.gz NRZAKFKPRWSZDA-SNVBAGLBSA-N -1 3 384.296 3.345 20 0 GGADHM CN(C)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821581522 1442069258 /nfs/dbraw/zinc/06/92/58/1442069258.db2.gz NRZAKFKPRWSZDA-SNVBAGLBSA-N -1 3 384.296 3.345 20 0 GGADHM C[C@H]1Cc2ccccc2N1C1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000820814017 1442079529 /nfs/dbraw/zinc/07/95/29/1442079529.db2.gz PTKRXTMMUAMLBL-HNNXBMFYSA-N -1 3 392.482 3.421 20 0 GGADHM C[C@H]1Cc2ccccc2N1C1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820814017 1442079531 /nfs/dbraw/zinc/07/95/31/1442079531.db2.gz PTKRXTMMUAMLBL-HNNXBMFYSA-N -1 3 392.482 3.421 20 0 GGADHM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCCN1Cc1ccccc1 ZINC000820623699 1442175420 /nfs/dbraw/zinc/17/54/20/1442175420.db2.gz WQOWWWINKFMKSJ-LJQANCHMSA-N -1 3 383.477 3.140 20 0 GGADHM C[C@@H](NCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1cn[nH]c1 ZINC000824618959 1442200210 /nfs/dbraw/zinc/20/02/10/1442200210.db2.gz SPWIDYXWSITGIY-CQSZACIVSA-N -1 3 375.436 3.020 20 0 GGADHM C[C@H](N[C@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554545 1442216462 /nfs/dbraw/zinc/21/64/62/1442216462.db2.gz QHJMNWGTHNJYKJ-JSGCOSHPSA-N -1 3 383.475 3.165 20 0 GGADHM C[C@H](N[C@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554545 1442216467 /nfs/dbraw/zinc/21/64/67/1442216467.db2.gz QHJMNWGTHNJYKJ-JSGCOSHPSA-N -1 3 383.475 3.165 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N(C)C ZINC000735692706 1442222154 /nfs/dbraw/zinc/22/21/54/1442222154.db2.gz TZDQLDGCZDCXRV-SFHVURJKSA-N -1 3 380.452 3.184 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N(C)C ZINC000735692706 1442222157 /nfs/dbraw/zinc/22/21/57/1442222157.db2.gz TZDQLDGCZDCXRV-SFHVURJKSA-N -1 3 380.452 3.184 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000826283300 1442237428 /nfs/dbraw/zinc/23/74/28/1442237428.db2.gz OCHKMIPZMLHHGI-ZIAGYGMSSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000826283300 1442237433 /nfs/dbraw/zinc/23/74/33/1442237433.db2.gz OCHKMIPZMLHHGI-ZIAGYGMSSA-N -1 3 382.468 3.371 20 0 GGADHM C[C@@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2c(c1)OCCCO2 ZINC000824536917 1442243212 /nfs/dbraw/zinc/24/32/12/1442243212.db2.gz AFBRCOYRVZIFKX-CQSZACIVSA-N -1 3 377.448 3.368 20 0 GGADHM C[C@@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2c(c1)OCCCO2 ZINC000824536917 1442243217 /nfs/dbraw/zinc/24/32/17/1442243217.db2.gz AFBRCOYRVZIFKX-CQSZACIVSA-N -1 3 377.448 3.368 20 0 GGADHM Cc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)s1 ZINC000826282677 1442261617 /nfs/dbraw/zinc/26/16/17/1442261617.db2.gz AGLHCXGCFKFMBX-XJKSGUPXSA-N -1 3 382.493 3.083 20 0 GGADHM Cc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)s1 ZINC000826282677 1442261620 /nfs/dbraw/zinc/26/16/20/1442261620.db2.gz AGLHCXGCFKFMBX-XJKSGUPXSA-N -1 3 382.493 3.083 20 0 GGADHM O[C@@](CNCc1cccc(-c2nn[n-]n2)c1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000823690751 1442271993 /nfs/dbraw/zinc/27/19/93/1442271993.db2.gz SVYRRGYUTNUDIL-INIZCTEOSA-N -1 3 397.788 3.060 20 0 GGADHM O[C@@](CNCc1cccc(-c2nnn[n-]2)c1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000823690751 1442271995 /nfs/dbraw/zinc/27/19/95/1442271995.db2.gz SVYRRGYUTNUDIL-INIZCTEOSA-N -1 3 397.788 3.060 20 0 GGADHM Cc1ccc(CNCc2ccc(-c3nn[n-]n3)s2)c(OC[C@@H]2CCCO2)c1 ZINC000822238388 1442286638 /nfs/dbraw/zinc/28/66/38/1442286638.db2.gz GFODETKZSASCEO-HNNXBMFYSA-N -1 3 385.493 3.084 20 0 GGADHM Clc1cccc(-c2nnn[n-]2)c1NCC1(N2CCSCC2)CCCC1 ZINC000822582381 1442298118 /nfs/dbraw/zinc/29/81/18/1442298118.db2.gz SBRNYBYFJJBXRR-UHFFFAOYSA-N -1 3 378.933 3.294 20 0 GGADHM Clc1cccc(-c2nn[n-]n2)c1NCC1(N2CCSCC2)CCCC1 ZINC000822582381 1442298123 /nfs/dbraw/zinc/29/81/23/1442298123.db2.gz SBRNYBYFJJBXRR-UHFFFAOYSA-N -1 3 378.933 3.294 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000822015140 1442348353 /nfs/dbraw/zinc/34/83/53/1442348353.db2.gz FBLWAVJMWWEVAS-MRXNPFEDSA-N -1 3 399.543 3.317 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000822015140 1442348358 /nfs/dbraw/zinc/34/83/58/1442348358.db2.gz FBLWAVJMWWEVAS-MRXNPFEDSA-N -1 3 399.543 3.317 20 0 GGADHM COc1cc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC(=O)C1CC1 ZINC000826179399 1442358582 /nfs/dbraw/zinc/35/85/82/1442358582.db2.gz MUMSIIMOMJGTKY-ZDUSSCGKSA-N -1 3 393.447 3.042 20 0 GGADHM COc1cc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(=O)C1CC1 ZINC000826179399 1442358585 /nfs/dbraw/zinc/35/85/85/1442358585.db2.gz MUMSIIMOMJGTKY-ZDUSSCGKSA-N -1 3 393.447 3.042 20 0 GGADHM O[C@@H](CN1CCC(Oc2ccccc2Cl)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503149 1442476218 /nfs/dbraw/zinc/47/62/18/1442476218.db2.gz RMFUKHKRZZFWFG-SFHVURJKSA-N -1 3 399.882 3.097 20 0 GGADHM O[C@@H](CN1CCC(Oc2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503149 1442476220 /nfs/dbraw/zinc/47/62/20/1442476220.db2.gz RMFUKHKRZZFWFG-SFHVURJKSA-N -1 3 399.882 3.097 20 0 GGADHM Cc1oc(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)c(-c2nn[n-]n2)c1C ZINC000826341722 1442481602 /nfs/dbraw/zinc/48/16/02/1442481602.db2.gz OQXCYPCQOHPGBC-UHFFFAOYSA-N -1 3 398.442 3.213 20 0 GGADHM Cc1oc(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)c(-c2nnn[n-]2)c1C ZINC000826341722 1442481603 /nfs/dbraw/zinc/48/16/03/1442481603.db2.gz OQXCYPCQOHPGBC-UHFFFAOYSA-N -1 3 398.442 3.213 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532444 1442484121 /nfs/dbraw/zinc/48/41/21/1442484121.db2.gz UIYVKAMNLOWUAJ-OLZOCXBDSA-N -1 3 396.426 3.374 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532444 1442484123 /nfs/dbraw/zinc/48/41/23/1442484123.db2.gz UIYVKAMNLOWUAJ-OLZOCXBDSA-N -1 3 396.426 3.374 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000826176648 1443074269 /nfs/dbraw/zinc/07/42/69/1443074269.db2.gz XVXVQTXMARIQET-NSHDSACASA-N -1 3 391.834 3.397 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000826176648 1443074271 /nfs/dbraw/zinc/07/42/71/1443074271.db2.gz XVXVQTXMARIQET-NSHDSACASA-N -1 3 391.834 3.397 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000823698724 1443100573 /nfs/dbraw/zinc/10/05/73/1443100573.db2.gz QTBRPTFIRTWIND-LJQANCHMSA-N -1 3 385.418 3.091 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000823698724 1443100577 /nfs/dbraw/zinc/10/05/77/1443100577.db2.gz QTBRPTFIRTWIND-LJQANCHMSA-N -1 3 385.418 3.091 20 0 GGADHM Fc1c(CN2CCC(OCCc3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000826370620 1443123009 /nfs/dbraw/zinc/12/30/09/1443123009.db2.gz AWECPEDKBQJOJV-UHFFFAOYSA-N -1 3 381.455 3.230 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C12CCC2 ZINC000821360735 1443127124 /nfs/dbraw/zinc/12/71/24/1443127124.db2.gz SEDWMSQPXSITRD-HZPDHXFCSA-N -1 3 393.438 3.248 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C12CCC2 ZINC000821360735 1443127128 /nfs/dbraw/zinc/12/71/28/1443127128.db2.gz SEDWMSQPXSITRD-HZPDHXFCSA-N -1 3 393.438 3.248 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](c2ccccc2C)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826305564 1443129182 /nfs/dbraw/zinc/12/91/82/1443129182.db2.gz BJZODIXCACKWBV-SCLBCKFNSA-N -1 3 394.479 3.453 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](c2ccccc2C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826305564 1443129184 /nfs/dbraw/zinc/12/91/84/1443129184.db2.gz BJZODIXCACKWBV-SCLBCKFNSA-N -1 3 394.479 3.453 20 0 GGADHM COc1ccccc1COC1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826220781 1443209003 /nfs/dbraw/zinc/20/90/03/1443209003.db2.gz ZSHUAROGCPOISS-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM CCO[C@H]1C[C@H](N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582626 1443214984 /nfs/dbraw/zinc/21/49/84/1443214984.db2.gz MDTKEPGJUPGOJC-ROUUACIJSA-N -1 3 395.511 3.074 20 0 GGADHM CCO[C@H]1C[C@H](N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)C12CCCCC2 ZINC000825582626 1443214988 /nfs/dbraw/zinc/21/49/88/1443214988.db2.gz MDTKEPGJUPGOJC-ROUUACIJSA-N -1 3 395.511 3.074 20 0 GGADHM CCN(CC)c1ccc(CN[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000825416845 1443267150 /nfs/dbraw/zinc/26/71/50/1443267150.db2.gz MWBYHXWNUREJQY-LJQANCHMSA-N -1 3 377.496 3.275 20 0 GGADHM Cc1ccc([C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)N2CCCC2)cc1 ZINC000737321020 1443288941 /nfs/dbraw/zinc/28/89/41/1443288941.db2.gz YESZSAWJZDNUOE-QGZVFWFLSA-N -1 3 383.887 3.473 20 0 GGADHM Cc1ccc([C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)N2CCCC2)cc1 ZINC000737321020 1443288944 /nfs/dbraw/zinc/28/89/44/1443288944.db2.gz YESZSAWJZDNUOE-QGZVFWFLSA-N -1 3 383.887 3.473 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000822205766 1443299616 /nfs/dbraw/zinc/29/96/16/1443299616.db2.gz HTJIZPCKKSIBKX-KDOFPFPSSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000822205766 1443299620 /nfs/dbraw/zinc/29/96/20/1443299620.db2.gz HTJIZPCKKSIBKX-KDOFPFPSSA-N -1 3 394.454 3.160 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824553831 1443317565 /nfs/dbraw/zinc/31/75/65/1443317565.db2.gz IRTMETLMZDXUIV-UONOGXRCSA-N -1 3 398.898 3.390 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824553831 1443317568 /nfs/dbraw/zinc/31/75/68/1443317568.db2.gz IRTMETLMZDXUIV-UONOGXRCSA-N -1 3 398.898 3.390 20 0 GGADHM CCC(C)(C)N(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736314291 1443382369 /nfs/dbraw/zinc/38/23/69/1443382369.db2.gz MBRYERPXKGLXIF-UHFFFAOYSA-N -1 3 376.530 3.256 20 0 GGADHM CCC(C)(C)N(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736314291 1443382371 /nfs/dbraw/zinc/38/23/71/1443382371.db2.gz MBRYERPXKGLXIF-UHFFFAOYSA-N -1 3 376.530 3.256 20 0 GGADHM C[C@@H]1COCCCN1Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825006498 1443419224 /nfs/dbraw/zinc/41/92/24/1443419224.db2.gz KDMHEZYJSFYHDG-MRXNPFEDSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H]1COCCCN1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825006498 1443419226 /nfs/dbraw/zinc/41/92/26/1443419226.db2.gz KDMHEZYJSFYHDG-MRXNPFEDSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736133833 1443423017 /nfs/dbraw/zinc/42/30/17/1443423017.db2.gz TVUFGSLMCAOAHR-ORAYPTAESA-N -1 3 394.454 3.464 20 0 GGADHM C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736133833 1443423021 /nfs/dbraw/zinc/42/30/21/1443423021.db2.gz TVUFGSLMCAOAHR-ORAYPTAESA-N -1 3 394.454 3.464 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000822744443 1443432593 /nfs/dbraw/zinc/43/25/93/1443432593.db2.gz UAGXZWUWTPYEJY-UHFFFAOYSA-N -1 3 399.817 3.042 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000822744443 1443432596 /nfs/dbraw/zinc/43/25/96/1443432596.db2.gz UAGXZWUWTPYEJY-UHFFFAOYSA-N -1 3 399.817 3.042 20 0 GGADHM C[C@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824563431 1443440471 /nfs/dbraw/zinc/44/04/71/1443440471.db2.gz OFBZMYGUZGMQRT-HNNXBMFYSA-N -1 3 392.507 3.131 20 0 GGADHM C[C@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824563431 1443440473 /nfs/dbraw/zinc/44/04/73/1443440473.db2.gz OFBZMYGUZGMQRT-HNNXBMFYSA-N -1 3 392.507 3.131 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825653722 1443441999 /nfs/dbraw/zinc/44/19/99/1443441999.db2.gz IMSFDHICDGAAKQ-QGZVFWFLSA-N -1 3 395.463 3.293 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825653722 1443442000 /nfs/dbraw/zinc/44/20/00/1443442000.db2.gz IMSFDHICDGAAKQ-QGZVFWFLSA-N -1 3 395.463 3.293 20 0 GGADHM C[C@@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824571492 1443450081 /nfs/dbraw/zinc/45/00/81/1443450081.db2.gz QVTDUZBLTISPQQ-DIFFPNOSSA-N -1 3 390.413 3.238 20 0 GGADHM C[C@@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824571492 1443450082 /nfs/dbraw/zinc/45/00/82/1443450082.db2.gz QVTDUZBLTISPQQ-DIFFPNOSSA-N -1 3 390.413 3.238 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000826184075 1443472022 /nfs/dbraw/zinc/47/20/22/1443472022.db2.gz KBFSQGBWFNHKTD-KZULUSFZSA-N -1 3 387.871 3.395 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000826184075 1443472025 /nfs/dbraw/zinc/47/20/25/1443472025.db2.gz KBFSQGBWFNHKTD-KZULUSFZSA-N -1 3 387.871 3.395 20 0 GGADHM CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192779 1443500852 /nfs/dbraw/zinc/50/08/52/1443500852.db2.gz ZFGQWGAWGPXRHS-HNNXBMFYSA-N -1 3 399.520 3.115 20 0 GGADHM CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820192779 1443500855 /nfs/dbraw/zinc/50/08/55/1443500855.db2.gz ZFGQWGAWGPXRHS-HNNXBMFYSA-N -1 3 399.520 3.115 20 0 GGADHM Cc1cccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1C ZINC000822289199 1443523096 /nfs/dbraw/zinc/52/30/96/1443523096.db2.gz UQURJXBZAYNSCL-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1C ZINC000822289199 1443523099 /nfs/dbraw/zinc/52/30/99/1443523099.db2.gz UQURJXBZAYNSCL-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737638273 1443543270 /nfs/dbraw/zinc/54/32/70/1443543270.db2.gz FNOTVWNZLMTLQJ-GFCCVEGCSA-N -1 3 395.364 3.127 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737638273 1443543272 /nfs/dbraw/zinc/54/32/72/1443543272.db2.gz FNOTVWNZLMTLQJ-GFCCVEGCSA-N -1 3 395.364 3.127 20 0 GGADHM O=C1[C@@H](N2CCC[C@H]2c2cccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476977 1443574176 /nfs/dbraw/zinc/57/41/76/1443574176.db2.gz SRDMZCQKBNNBJN-IRXDYDNUSA-N -1 3 394.504 3.261 20 0 GGADHM CC(C)Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280153 1443600596 /nfs/dbraw/zinc/60/05/96/1443600596.db2.gz FAGHSRATDFGRIO-MRXNPFEDSA-N -1 3 392.507 3.032 20 0 GGADHM CC(C)Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824280153 1443600603 /nfs/dbraw/zinc/60/06/03/1443600603.db2.gz FAGHSRATDFGRIO-MRXNPFEDSA-N -1 3 392.507 3.032 20 0 GGADHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825658889 1443623754 /nfs/dbraw/zinc/62/37/54/1443623754.db2.gz LHOUPUWGLIRZHW-GJZGRUSLSA-N -1 3 399.520 3.008 20 0 GGADHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825658889 1443623756 /nfs/dbraw/zinc/62/37/56/1443623756.db2.gz LHOUPUWGLIRZHW-GJZGRUSLSA-N -1 3 399.520 3.008 20 0 GGADHM C[C@H](N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554544 1443669059 /nfs/dbraw/zinc/66/90/59/1443669059.db2.gz QHJMNWGTHNJYKJ-GXTWGEPZSA-N -1 3 383.475 3.165 20 0 GGADHM C[C@H](N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824554544 1443669061 /nfs/dbraw/zinc/66/90/61/1443669061.db2.gz QHJMNWGTHNJYKJ-GXTWGEPZSA-N -1 3 383.475 3.165 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000826506384 1443717630 /nfs/dbraw/zinc/71/76/30/1443717630.db2.gz TZWYHQSRAIVEJU-HIFRSBDPSA-N -1 3 395.410 3.255 20 0 GGADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736798408 1443772868 /nfs/dbraw/zinc/77/28/68/1443772868.db2.gz YXEMBBCCKKPKLQ-UHFFFAOYSA-N -1 3 391.454 3.461 20 0 GGADHM Cc1cc(C)c(NC(=O)CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826263681 1443778175 /nfs/dbraw/zinc/77/81/75/1443778175.db2.gz MFABXVDVZIHCCC-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM Cn1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000826360283 1443782775 /nfs/dbraw/zinc/78/27/75/1443782775.db2.gz DZAHSYVNWHUHGJ-UHFFFAOYSA-N -1 3 385.475 3.432 20 0 GGADHM Cn1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000826360283 1443782781 /nfs/dbraw/zinc/78/27/81/1443782781.db2.gz DZAHSYVNWHUHGJ-UHFFFAOYSA-N -1 3 385.475 3.432 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)o1 ZINC000824899743 1443827297 /nfs/dbraw/zinc/82/72/97/1443827297.db2.gz NQRCAMIYZYTKOE-QAPCUYQASA-N -1 3 378.480 3.295 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000824899743 1443827300 /nfs/dbraw/zinc/82/73/00/1443827300.db2.gz NQRCAMIYZYTKOE-QAPCUYQASA-N -1 3 378.480 3.295 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233006 1443830080 /nfs/dbraw/zinc/83/00/80/1443830080.db2.gz DWKNPRFGWNFITN-IJEWVQPXSA-N -1 3 394.454 3.211 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233006 1443830083 /nfs/dbraw/zinc/83/00/83/1443830083.db2.gz DWKNPRFGWNFITN-IJEWVQPXSA-N -1 3 394.454 3.211 20 0 GGADHM O=C(C[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826405144 1443834882 /nfs/dbraw/zinc/83/48/82/1443834882.db2.gz WTDKITWFUKHRBP-QGZVFWFLSA-N -1 3 383.402 3.382 20 0 GGADHM O=C(C[C@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826405144 1443834885 /nfs/dbraw/zinc/83/48/85/1443834885.db2.gz WTDKITWFUKHRBP-QGZVFWFLSA-N -1 3 383.402 3.382 20 0 GGADHM C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824538737 1443841475 /nfs/dbraw/zinc/84/14/75/1443841475.db2.gz KGRRZFGLNNBLMZ-WILYLXEWSA-N -1 3 396.882 3.143 20 0 GGADHM C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538737 1443841481 /nfs/dbraw/zinc/84/14/81/1443841481.db2.gz KGRRZFGLNNBLMZ-WILYLXEWSA-N -1 3 396.882 3.143 20 0 GGADHM C[C@@H](NC[C@H](c1ccco1)N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577196 1443844786 /nfs/dbraw/zinc/84/47/86/1443844786.db2.gz HUEIBRBPCYEQPY-RDTXWAMCSA-N -1 3 384.459 3.477 20 0 GGADHM C[C@@H](NC[C@H](c1ccco1)N1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577196 1443844789 /nfs/dbraw/zinc/84/47/89/1443844789.db2.gz HUEIBRBPCYEQPY-RDTXWAMCSA-N -1 3 384.459 3.477 20 0 GGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000824763816 1443856029 /nfs/dbraw/zinc/85/60/29/1443856029.db2.gz PJAOIVAQKMAZTE-HOTGVXAUSA-N -1 3 380.471 3.446 20 0 GGADHM Cc1cc([C@H](N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262438 1443856766 /nfs/dbraw/zinc/85/67/66/1443856766.db2.gz OQXVXCUAIQAKCK-ORAYPTAESA-N -1 3 394.454 3.382 20 0 GGADHM Cc1cc([C@H](N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262438 1443856767 /nfs/dbraw/zinc/85/67/67/1443856767.db2.gz OQXVXCUAIQAKCK-ORAYPTAESA-N -1 3 394.454 3.382 20 0 GGADHM CCN(Cc1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428164 1443914134 /nfs/dbraw/zinc/91/41/34/1443914134.db2.gz DOUZVGAKAVUYKM-AWEZNQCLSA-N -1 3 397.479 3.476 20 0 GGADHM CCN(Cc1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428164 1443914135 /nfs/dbraw/zinc/91/41/35/1443914135.db2.gz DOUZVGAKAVUYKM-AWEZNQCLSA-N -1 3 397.479 3.476 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824334599 1443924869 /nfs/dbraw/zinc/92/48/69/1443924869.db2.gz YSMOMQOUVGNGEW-OAHLLOKOSA-N -1 3 394.479 3.333 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824334599 1443924873 /nfs/dbraw/zinc/92/48/73/1443924873.db2.gz YSMOMQOUVGNGEW-OAHLLOKOSA-N -1 3 394.479 3.333 20 0 GGADHM CN(C)[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc(F)c1 ZINC000736759552 1443942006 /nfs/dbraw/zinc/94/20/06/1443942006.db2.gz MVWLHPRQDROSCM-LJQANCHMSA-N -1 3 377.427 3.269 20 0 GGADHM CSc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821984820 1444009302 /nfs/dbraw/zinc/00/93/02/1444009302.db2.gz ULPSGXQTKOSVCF-QWHCGFSZSA-N -1 3 382.493 3.266 20 0 GGADHM CSc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821984820 1444009303 /nfs/dbraw/zinc/00/93/03/1444009303.db2.gz ULPSGXQTKOSVCF-QWHCGFSZSA-N -1 3 382.493 3.266 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824555963 1444033606 /nfs/dbraw/zinc/03/36/06/1444033606.db2.gz YWBYWZKBOPNAAU-QRWLVFNGSA-N -1 3 378.480 3.031 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824555963 1444033608 /nfs/dbraw/zinc/03/36/08/1444033608.db2.gz YWBYWZKBOPNAAU-QRWLVFNGSA-N -1 3 378.480 3.031 20 0 GGADHM COc1ccc([C@@H]2CCCN2CCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000737075445 1446101693 /nfs/dbraw/zinc/10/16/93/1446101693.db2.gz JXIFUZHWQRUKQH-SFHVURJKSA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccc([C@@H]2CCCN2CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000737075445 1446101694 /nfs/dbraw/zinc/10/16/94/1446101694.db2.gz JXIFUZHWQRUKQH-SFHVURJKSA-N -1 3 395.463 3.100 20 0 GGADHM Cc1cccc([C@H](NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C)c1 ZINC000826297207 1446106653 /nfs/dbraw/zinc/10/66/53/1446106653.db2.gz YWDQKHHAYPSPQR-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1cccc([C@H](NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C)c1 ZINC000826297207 1446106657 /nfs/dbraw/zinc/10/66/57/1446106657.db2.gz YWDQKHHAYPSPQR-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM CC(C)c1nc([C@@H]2CCCN(CCCOc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000820202471 1446119525 /nfs/dbraw/zinc/11/95/25/1446119525.db2.gz IHZZZQJBTPPNKX-MRXNPFEDSA-N -1 3 397.483 3.022 20 0 GGADHM CC(C)c1nc([C@@H]2CCCN(CCCOc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000820202471 1446119529 /nfs/dbraw/zinc/11/95/29/1446119529.db2.gz IHZZZQJBTPPNKX-MRXNPFEDSA-N -1 3 397.483 3.022 20 0 GGADHM COc1ccc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000737074987 1446125581 /nfs/dbraw/zinc/12/55/81/1446125581.db2.gz ZTOAKYCEQSQHRD-LLVKDONJSA-N -1 3 388.269 3.489 20 0 GGADHM COc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000737074987 1446125586 /nfs/dbraw/zinc/12/55/86/1446125586.db2.gz ZTOAKYCEQSQHRD-LLVKDONJSA-N -1 3 388.269 3.489 20 0 GGADHM Cc1cccc(CN2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)c1 ZINC000822303778 1446125726 /nfs/dbraw/zinc/12/57/26/1446125726.db2.gz IXFQKLZNJLLXCP-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1cccc(CN2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)c1 ZINC000822303778 1446125730 /nfs/dbraw/zinc/12/57/30/1446125730.db2.gz IXFQKLZNJLLXCP-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM C[C@H](CN(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC000824412982 1446155314 /nfs/dbraw/zinc/15/53/14/1446155314.db2.gz IBTYRCYSUUDCIU-UZLBHIALSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@H](CN(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000824412982 1446155317 /nfs/dbraw/zinc/15/53/17/1446155317.db2.gz IBTYRCYSUUDCIU-UZLBHIALSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(OCc2ccccn2)c1 ZINC000824624652 1446155416 /nfs/dbraw/zinc/15/54/16/1446155416.db2.gz AYMYKOLHSKREDB-OAHLLOKOSA-N -1 3 387.447 3.087 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(OCc2ccccn2)c1 ZINC000824624652 1446155422 /nfs/dbraw/zinc/15/54/22/1446155422.db2.gz AYMYKOLHSKREDB-OAHLLOKOSA-N -1 3 387.447 3.087 20 0 GGADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820684439 1446201711 /nfs/dbraw/zinc/20/17/11/1446201711.db2.gz PUNBMIPMZBFRNG-GASCZTMLSA-N -1 3 392.463 3.470 20 0 GGADHM O=C1[C@H](NCc2ccc3ccccc3c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476494 1446206736 /nfs/dbraw/zinc/20/67/36/1446206736.db2.gz IXBMZGFFEIQTFX-OAQYLSRUSA-N -1 3 398.470 3.305 20 0 GGADHM O=C1[C@H](NCc2ccc3ccccc3c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476494 1446206739 /nfs/dbraw/zinc/20/67/39/1446206739.db2.gz IXBMZGFFEIQTFX-OAQYLSRUSA-N -1 3 398.470 3.305 20 0 GGADHM Cc1c([C@H](C)NCc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccc(F)cc1 ZINC000822021375 1446262811 /nfs/dbraw/zinc/26/28/11/1446262811.db2.gz YSVKETRSXJCNDX-NSHDSACASA-N -1 3 383.456 3.412 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000823697902 1446265377 /nfs/dbraw/zinc/26/53/77/1446265377.db2.gz ORYPGTSARJIJMU-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000823697902 1446265380 /nfs/dbraw/zinc/26/53/80/1446265380.db2.gz ORYPGTSARJIJMU-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820413473 1446357558 /nfs/dbraw/zinc/35/75/58/1446357558.db2.gz QPIBYBIHUMDGHV-QWRGUYRKSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820413473 1446357562 /nfs/dbraw/zinc/35/75/62/1446357562.db2.gz QPIBYBIHUMDGHV-QWRGUYRKSA-N -1 3 388.834 3.337 20 0 GGADHM CN(C)c1ncc(CNCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000825883130 1446372879 /nfs/dbraw/zinc/37/28/79/1446372879.db2.gz CAUUGXVJLPOXFU-UHFFFAOYSA-N -1 3 391.504 3.346 20 0 GGADHM O=C1[C@H](NCc2cccc3ccccc32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476620 1446382590 /nfs/dbraw/zinc/38/25/90/1446382590.db2.gz LFDZADXOIXMWPY-OAQYLSRUSA-N -1 3 398.470 3.305 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)o1 ZINC000824899744 1446415374 /nfs/dbraw/zinc/41/53/74/1446415374.db2.gz NQRCAMIYZYTKOE-YJBOKZPZSA-N -1 3 378.480 3.295 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000824899744 1446415376 /nfs/dbraw/zinc/41/53/76/1446415376.db2.gz NQRCAMIYZYTKOE-YJBOKZPZSA-N -1 3 378.480 3.295 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826506487 1446461587 /nfs/dbraw/zinc/46/15/87/1446461587.db2.gz VQLUAWLJZKDMDV-OCCSQVGLSA-N -1 3 395.410 3.255 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826506487 1446461590 /nfs/dbraw/zinc/46/15/90/1446461590.db2.gz VQLUAWLJZKDMDV-OCCSQVGLSA-N -1 3 395.410 3.255 20 0 GGADHM COc1cc([C@@H](C)NCc2ccnc(-c3nnn[n-]3)c2)ccc1OCC(C)C ZINC000826177464 1446494317 /nfs/dbraw/zinc/49/43/17/1446494317.db2.gz JNISABJYESIHIX-CQSZACIVSA-N -1 3 382.468 3.156 20 0 GGADHM COc1cc([C@@H](C)NCc2ccnc(-c3nn[n-]n3)c2)ccc1OCC(C)C ZINC000826177464 1446494319 /nfs/dbraw/zinc/49/43/19/1446494319.db2.gz JNISABJYESIHIX-CQSZACIVSA-N -1 3 382.468 3.156 20 0 GGADHM CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)s1 ZINC000821207827 1446551751 /nfs/dbraw/zinc/55/17/51/1446551751.db2.gz VGWDPZCZYBPBQW-UHFFFAOYSA-N -1 3 390.900 3.432 20 0 GGADHM CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)s1 ZINC000821207827 1446551756 /nfs/dbraw/zinc/55/17/56/1446551756.db2.gz VGWDPZCZYBPBQW-UHFFFAOYSA-N -1 3 390.900 3.432 20 0 GGADHM O=C1[C@H](N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCN1c1ccccc1 ZINC000826477100 1446591249 /nfs/dbraw/zinc/59/12/49/1446591249.db2.gz VOYNDPRBXKDAGV-WOJBJXKFSA-N -1 3 388.475 3.029 20 0 GGADHM O=C1[C@H](N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCN1c1ccccc1 ZINC000826477100 1446591253 /nfs/dbraw/zinc/59/12/53/1446591253.db2.gz VOYNDPRBXKDAGV-WOJBJXKFSA-N -1 3 388.475 3.029 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737269681 1446606966 /nfs/dbraw/zinc/60/69/66/1446606966.db2.gz GPJWBACKLULVBC-KDOFPFPSSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737269681 1446606968 /nfs/dbraw/zinc/60/69/68/1446606968.db2.gz GPJWBACKLULVBC-KDOFPFPSSA-N -1 3 394.454 3.160 20 0 GGADHM CCN(Cc1ccc(N2CCCC2)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435144 1446711643 /nfs/dbraw/zinc/71/16/43/1446711643.db2.gz NHOZYIWQOXCMRL-MRXNPFEDSA-N -1 3 377.496 3.445 20 0 GGADHM CCN(Cc1ccc(N2CCCC2)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435144 1446711648 /nfs/dbraw/zinc/71/16/48/1446711648.db2.gz NHOZYIWQOXCMRL-MRXNPFEDSA-N -1 3 377.496 3.445 20 0 GGADHM C[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824578291 1446783433 /nfs/dbraw/zinc/78/34/33/1446783433.db2.gz SBGGZHDDNGXNBO-SJCJKPOMSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578291 1446783437 /nfs/dbraw/zinc/78/34/37/1446783437.db2.gz SBGGZHDDNGXNBO-SJCJKPOMSA-N -1 3 382.855 3.364 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSc2ccccc21 ZINC000820402398 1446834024 /nfs/dbraw/zinc/83/40/24/1446834024.db2.gz DERWAIIXRKPNEP-ZIAGYGMSSA-N -1 3 394.504 3.045 20 0 GGADHM COc1cccc(CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@H]2CCCO2)c1 ZINC000737130928 1446857857 /nfs/dbraw/zinc/85/78/57/1446857857.db2.gz JAUWOQKDIGRTNN-LJQANCHMSA-N -1 3 397.454 3.196 20 0 GGADHM COc1cccc(CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H]2CCCO2)c1 ZINC000737130928 1446857863 /nfs/dbraw/zinc/85/78/63/1446857863.db2.gz JAUWOQKDIGRTNN-LJQANCHMSA-N -1 3 397.454 3.196 20 0 GGADHM COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826180756 1446896060 /nfs/dbraw/zinc/89/60/60/1446896060.db2.gz VUJCEWJJJDZNFX-STQMWFEESA-N -1 3 380.452 3.246 20 0 GGADHM COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826180756 1446896067 /nfs/dbraw/zinc/89/60/67/1446896067.db2.gz VUJCEWJJJDZNFX-STQMWFEESA-N -1 3 380.452 3.246 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820854296 1447018641 /nfs/dbraw/zinc/01/86/41/1447018641.db2.gz SYZQDRKWIJVSKA-GOSISDBHSA-N -1 3 390.850 3.392 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820854296 1447018648 /nfs/dbraw/zinc/01/86/48/1447018648.db2.gz SYZQDRKWIJVSKA-GOSISDBHSA-N -1 3 390.850 3.392 20 0 GGADHM CCCN1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736481350 1447052838 /nfs/dbraw/zinc/05/28/38/1447052838.db2.gz OCRDCHYHRGALDH-LJQANCHMSA-N -1 3 392.463 3.472 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820402382 1447126901 /nfs/dbraw/zinc/12/69/01/1447126901.db2.gz DCMMDXPFZHQGIU-PMPSAXMXSA-N -1 3 390.491 3.274 20 0 GGADHM COc1ccc(CNCc2cccc(-c3nnn[n-]3)c2)cc1OC1CCCC1 ZINC000737095616 1447129642 /nfs/dbraw/zinc/12/96/42/1447129642.db2.gz KVALGHAAYZCDJP-UHFFFAOYSA-N -1 3 379.464 3.487 20 0 GGADHM COc1ccc(CNCc2cccc(-c3nn[n-]n3)c2)cc1OC1CCCC1 ZINC000737095616 1447129649 /nfs/dbraw/zinc/12/96/49/1447129649.db2.gz KVALGHAAYZCDJP-UHFFFAOYSA-N -1 3 379.464 3.487 20 0 GGADHM COc1ccc(CN2CCC(Oc3ccc(C)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826194569 1447221179 /nfs/dbraw/zinc/22/11/79/1447221179.db2.gz PRBYCRZGNUJENY-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM COc1ccc(CN2CCC(Oc3ccc(C)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826194569 1447221183 /nfs/dbraw/zinc/22/11/83/1447221183.db2.gz PRBYCRZGNUJENY-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM O=C1[C@H](N2CCC3(CCCCC3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738292188 1447250427 /nfs/dbraw/zinc/25/04/27/1447250427.db2.gz YBWGSIQIJYUAIX-GOSISDBHSA-N -1 3 380.496 3.018 20 0 GGADHM COc1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000826193963 1447266799 /nfs/dbraw/zinc/26/67/99/1447266799.db2.gz WBJMYUKOAVBRAM-SFHVURJKSA-N -1 3 397.454 3.196 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccc(F)c(C)c2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826262534 1447290908 /nfs/dbraw/zinc/29/09/08/1447290908.db2.gz RIHMFTYYDQRQFN-GOSISDBHSA-N -1 3 398.442 3.203 20 0 GGADHM COc1cccc(CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]2CCCO2)c1 ZINC000821867379 1447306958 /nfs/dbraw/zinc/30/69/58/1447306958.db2.gz DRAHYSKKIUCCNL-IBGZPJMESA-N -1 3 397.454 3.196 20 0 GGADHM COc1cccc(CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]2CCCO2)c1 ZINC000821867379 1447306962 /nfs/dbraw/zinc/30/69/62/1447306962.db2.gz DRAHYSKKIUCCNL-IBGZPJMESA-N -1 3 397.454 3.196 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C[C@H]1CCCCO1 ZINC000821109520 1447310359 /nfs/dbraw/zinc/31/03/59/1447310359.db2.gz LGBGZCAXJCNCNS-OAHLLOKOSA-N -1 3 381.427 3.249 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C[C@H]1CCCCO1 ZINC000821109520 1447310363 /nfs/dbraw/zinc/31/03/63/1447310363.db2.gz LGBGZCAXJCNCNS-OAHLLOKOSA-N -1 3 381.427 3.249 20 0 GGADHM CCc1nnc(NC[C@@H](c2ccco2)N2CCCCC2)c(-c2nn[n-]n2)c1CC ZINC000821535550 1449017561 /nfs/dbraw/zinc/01/75/61/1449017561.db2.gz KNRXZHQIJCPYGQ-INIZCTEOSA-N -1 3 396.499 3.014 20 0 GGADHM CCc1nnc(NC[C@@H](c2ccco2)N2CCCCC2)c(-c2nnn[n-]2)c1CC ZINC000821535550 1449017569 /nfs/dbraw/zinc/01/75/69/1449017569.db2.gz KNRXZHQIJCPYGQ-INIZCTEOSA-N -1 3 396.499 3.014 20 0 GGADHM CCCCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825285081 1449020222 /nfs/dbraw/zinc/02/02/22/1449020222.db2.gz ISSCNNUXJAMSHN-UHFFFAOYSA-N -1 3 391.541 3.075 20 0 GGADHM CCCCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825285081 1449020225 /nfs/dbraw/zinc/02/02/25/1449020225.db2.gz ISSCNNUXJAMSHN-UHFFFAOYSA-N -1 3 391.541 3.075 20 0 GGADHM C[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824619620 1449113970 /nfs/dbraw/zinc/11/39/70/1449113970.db2.gz XMDRKXPHJAXQAT-ZDUSSCGKSA-N -1 3 382.493 3.491 20 0 GGADHM Fc1cc(F)c(CNCCSCc2ccccc2-c2nn[n-]n2)cc1F ZINC000822753233 1449122027 /nfs/dbraw/zinc/12/20/27/1449122027.db2.gz JWBDQJXKITWSMO-UHFFFAOYSA-N -1 3 379.411 3.307 20 0 GGADHM Fc1cc(F)c(CNCCSCc2ccccc2-c2nnn[n-]2)cc1F ZINC000822753233 1449122032 /nfs/dbraw/zinc/12/20/32/1449122032.db2.gz JWBDQJXKITWSMO-UHFFFAOYSA-N -1 3 379.411 3.307 20 0 GGADHM CN(C)[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(F)c1 ZINC000825849849 1449235141 /nfs/dbraw/zinc/23/51/41/1449235141.db2.gz NUVOODWRRCBWPC-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM CN(C)[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(F)c1 ZINC000825849849 1449235148 /nfs/dbraw/zinc/23/51/48/1449235148.db2.gz NUVOODWRRCBWPC-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736413517 1449278506 /nfs/dbraw/zinc/27/85/06/1449278506.db2.gz ZLIPDMYXTYOJLO-GOSISDBHSA-N -1 3 379.464 3.264 20 0 GGADHM CCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)c2C1 ZINC000736480729 1449324081 /nfs/dbraw/zinc/32/40/81/1449324081.db2.gz LTZVPAQFEMPYMD-AWEZNQCLSA-N -1 3 391.479 3.031 20 0 GGADHM Cc1c([C@@H](C)NCc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccc(F)cc1 ZINC000822021392 1449361191 /nfs/dbraw/zinc/36/11/91/1449361191.db2.gz ZLNBBHMXQAVBJX-LLVKDONJSA-N -1 3 383.456 3.412 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820413471 1449417051 /nfs/dbraw/zinc/41/70/51/1449417051.db2.gz QPIBYBIHUMDGHV-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820413471 1449417056 /nfs/dbraw/zinc/41/70/56/1449417056.db2.gz QPIBYBIHUMDGHV-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000821275510 1449436015 /nfs/dbraw/zinc/43/60/15/1449436015.db2.gz AMFWFWHHBFYERE-MRXNPFEDSA-N -1 3 377.496 3.182 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000821275510 1449436017 /nfs/dbraw/zinc/43/60/17/1449436017.db2.gz AMFWFWHHBFYERE-MRXNPFEDSA-N -1 3 377.496 3.182 20 0 GGADHM CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825290888 1449448230 /nfs/dbraw/zinc/44/82/30/1449448230.db2.gz JIWZPZLEAYVUBY-AWEZNQCLSA-N -1 3 396.470 3.387 20 0 GGADHM CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825290888 1449448235 /nfs/dbraw/zinc/44/82/35/1449448235.db2.gz JIWZPZLEAYVUBY-AWEZNQCLSA-N -1 3 396.470 3.387 20 0 GGADHM C[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824572138 1449525140 /nfs/dbraw/zinc/52/51/40/1449525140.db2.gz SZMMKTKAWDHLEX-JDNHERCYSA-N -1 3 379.798 3.183 20 0 GGADHM C[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572138 1449525144 /nfs/dbraw/zinc/52/51/44/1449525144.db2.gz SZMMKTKAWDHLEX-JDNHERCYSA-N -1 3 379.798 3.183 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(Cc3ccc(-c4nn[n-]n4)o3)C2)n1 ZINC000826369047 1449573589 /nfs/dbraw/zinc/57/35/89/1449573589.db2.gz KLBGCIPSFWPPAK-VIFPVBQESA-N -1 3 384.387 3.315 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(Cc3ccc(-c4nnn[n-]4)o3)C2)n1 ZINC000826369047 1449573593 /nfs/dbraw/zinc/57/35/93/1449573593.db2.gz KLBGCIPSFWPPAK-VIFPVBQESA-N -1 3 384.387 3.315 20 0 GGADHM CCS[C@@H]1CCCCN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000736668333 1449581088 /nfs/dbraw/zinc/58/10/88/1449581088.db2.gz ZQHZMRTYOUWQRW-QGZVFWFLSA-N -1 3 383.525 3.295 20 0 GGADHM CCS[C@@H]1CCCCN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000736668333 1449581089 /nfs/dbraw/zinc/58/10/89/1449581089.db2.gz ZQHZMRTYOUWQRW-QGZVFWFLSA-N -1 3 383.525 3.295 20 0 GGADHM C[C@@H](NCC(=O)NCC1CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824561983 1449582955 /nfs/dbraw/zinc/58/29/55/1449582955.db2.gz ADZZKIZDWSOVHS-OAHLLOKOSA-N -1 3 390.491 3.101 20 0 GGADHM C[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820722276 1449652606 /nfs/dbraw/zinc/65/26/06/1449652606.db2.gz GWXVXGCEWZFDAD-OCCSQVGLSA-N -1 3 386.481 3.323 20 0 GGADHM C[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820722276 1449652609 /nfs/dbraw/zinc/65/26/09/1449652609.db2.gz GWXVXGCEWZFDAD-OCCSQVGLSA-N -1 3 386.481 3.323 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000822351834 1449693354 /nfs/dbraw/zinc/69/33/54/1449693354.db2.gz RKXKDRHELKZTJT-QGZVFWFLSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000822351834 1449693361 /nfs/dbraw/zinc/69/33/61/1449693361.db2.gz RKXKDRHELKZTJT-QGZVFWFLSA-N -1 3 387.447 3.215 20 0 GGADHM CCc1ccc(C(C)(C)NCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825704390 1449702210 /nfs/dbraw/zinc/70/22/10/1449702210.db2.gz GIWYECDVZFMDQV-UHFFFAOYSA-N -1 3 382.468 3.102 20 0 GGADHM CCc1ccc(C(C)(C)NCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825704390 1449702215 /nfs/dbraw/zinc/70/22/15/1449702215.db2.gz GIWYECDVZFMDQV-UHFFFAOYSA-N -1 3 382.468 3.102 20 0 GGADHM CCC[C@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825242293 1449718732 /nfs/dbraw/zinc/71/87/32/1449718732.db2.gz NIQTXJKSOAUSGW-KXBFYZLASA-N -1 3 378.480 3.175 20 0 GGADHM CCC[C@H](NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825242293 1449718736 /nfs/dbraw/zinc/71/87/36/1449718736.db2.gz NIQTXJKSOAUSGW-KXBFYZLASA-N -1 3 378.480 3.175 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194419 1449748242 /nfs/dbraw/zinc/74/82/42/1449748242.db2.gz WQRMMDASOOHVSC-HZPDHXFCSA-N -1 3 378.480 3.470 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194419 1449748245 /nfs/dbraw/zinc/74/82/45/1449748245.db2.gz WQRMMDASOOHVSC-HZPDHXFCSA-N -1 3 378.480 3.470 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1C[C@H](C)[C@H](C)C1 ZINC000820743778 1449817090 /nfs/dbraw/zinc/81/70/90/1449817090.db2.gz VREVEFGPWLGWQQ-FRRDWIJNSA-N -1 3 388.541 3.112 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1C[C@H](C)[C@H](C)C1 ZINC000820743778 1449817097 /nfs/dbraw/zinc/81/70/97/1449817097.db2.gz VREVEFGPWLGWQQ-FRRDWIJNSA-N -1 3 388.541 3.112 20 0 GGADHM CCCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825322629 1449878074 /nfs/dbraw/zinc/87/80/74/1449878074.db2.gz GTKROEUIMAKCCY-HNNXBMFYSA-N -1 3 394.479 3.115 20 0 GGADHM CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000820862961 1450013365 /nfs/dbraw/zinc/01/33/65/1450013365.db2.gz SDURRUXURDBNOJ-CQSZACIVSA-N -1 3 394.479 3.150 20 0 GGADHM CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000820862961 1450013372 /nfs/dbraw/zinc/01/33/72/1450013372.db2.gz SDURRUXURDBNOJ-CQSZACIVSA-N -1 3 394.479 3.150 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@@H](c3ccsc3)N(C)C)c2c1 ZINC000737248844 1450032987 /nfs/dbraw/zinc/03/29/87/1450032987.db2.gz MXKUDRIPIQVVGZ-KRWDZBQOSA-N -1 3 393.520 3.230 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@@H](c3ccsc3)N(C)C)c2c1 ZINC000737248844 1450032991 /nfs/dbraw/zinc/03/29/91/1450032991.db2.gz MXKUDRIPIQVVGZ-KRWDZBQOSA-N -1 3 393.520 3.230 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000822350715 1450042930 /nfs/dbraw/zinc/04/29/30/1450042930.db2.gz GDNLWCQRVWVICE-QGZVFWFLSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000822350715 1450042933 /nfs/dbraw/zinc/04/29/33/1450042933.db2.gz GDNLWCQRVWVICE-QGZVFWFLSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccc([C@@H](CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)N2CCCC2)o1 ZINC000826283770 1450099126 /nfs/dbraw/zinc/09/91/26/1450099126.db2.gz AAHWEPSNWCHFGI-GOSISDBHSA-N -1 3 393.495 3.291 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820642358 1450169095 /nfs/dbraw/zinc/16/90/95/1450169095.db2.gz IDBYMGNOTBQDFX-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642358 1450169099 /nfs/dbraw/zinc/16/90/99/1450169099.db2.gz IDBYMGNOTBQDFX-KBXCAEBGSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](c2ccccc2)CC1 ZINC000735559963 1450205003 /nfs/dbraw/zinc/20/50/03/1450205003.db2.gz BCEPAWYLLXELHB-AEFFLSMTSA-N -1 3 390.491 3.463 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000735559963 1450205007 /nfs/dbraw/zinc/20/50/07/1450205007.db2.gz BCEPAWYLLXELHB-AEFFLSMTSA-N -1 3 390.491 3.463 20 0 GGADHM O=C(Nc1ccc(CNCc2cc(-c3nn[n-]n3)cs2)cc1)c1ccco1 ZINC000823323502 1450230585 /nfs/dbraw/zinc/23/05/85/1450230585.db2.gz QXOHWHRAHBLTLN-UHFFFAOYSA-N -1 3 380.433 3.063 20 0 GGADHM O=C(Nc1ccc(CNCc2cc(-c3nnn[n-]3)cs2)cc1)c1ccco1 ZINC000823323502 1450230589 /nfs/dbraw/zinc/23/05/89/1450230589.db2.gz QXOHWHRAHBLTLN-UHFFFAOYSA-N -1 3 380.433 3.063 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826193038 1450253783 /nfs/dbraw/zinc/25/37/83/1450253783.db2.gz NJOGLBNJPVZRMN-UHFFFAOYSA-N -1 3 393.369 3.406 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826193038 1450253784 /nfs/dbraw/zinc/25/37/84/1450253784.db2.gz NJOGLBNJPVZRMN-UHFFFAOYSA-N -1 3 393.369 3.406 20 0 GGADHM CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000824473206 1450253921 /nfs/dbraw/zinc/25/39/21/1450253921.db2.gz YQHRPOYUNSIZQU-YWZLYKJASA-N -1 3 392.507 3.297 20 0 GGADHM CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000824473206 1450253925 /nfs/dbraw/zinc/25/39/25/1450253925.db2.gz YQHRPOYUNSIZQU-YWZLYKJASA-N -1 3 392.507 3.297 20 0 GGADHM COc1cc([C@H](C)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc(OC)c1OC ZINC000826177679 1450300592 /nfs/dbraw/zinc/30/05/92/1450300592.db2.gz QKVSYTDSHBPHIE-ZDUSSCGKSA-N -1 3 395.463 3.232 20 0 GGADHM COc1cc([C@H](C)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc(OC)c1OC ZINC000826177679 1450300595 /nfs/dbraw/zinc/30/05/95/1450300595.db2.gz QKVSYTDSHBPHIE-ZDUSSCGKSA-N -1 3 395.463 3.232 20 0 GGADHM Cc1ccc(CN(C(=O)CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000826287668 1450331880 /nfs/dbraw/zinc/33/18/80/1450331880.db2.gz XUUYXBROBIAQLB-INIZCTEOSA-N -1 3 390.491 3.017 20 0 GGADHM Cc1ccc(CN(C(=O)CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000826287668 1450331884 /nfs/dbraw/zinc/33/18/84/1450331884.db2.gz XUUYXBROBIAQLB-INIZCTEOSA-N -1 3 390.491 3.017 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821505405 1450386207 /nfs/dbraw/zinc/38/62/07/1450386207.db2.gz PVMRBXWSCNILBX-CYBMUJFWSA-N -1 3 399.524 3.216 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821505405 1450386211 /nfs/dbraw/zinc/38/62/11/1450386211.db2.gz PVMRBXWSCNILBX-CYBMUJFWSA-N -1 3 399.524 3.216 20 0 GGADHM Cn1cc(CNCc2coc3ccccc23)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361748 1450403369 /nfs/dbraw/zinc/40/33/69/1450403369.db2.gz NAULCRSTUGIWBC-UHFFFAOYSA-N -1 3 385.431 3.303 20 0 GGADHM Cn1cc(CNCc2coc3ccccc23)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361748 1450403375 /nfs/dbraw/zinc/40/33/75/1450403375.db2.gz NAULCRSTUGIWBC-UHFFFAOYSA-N -1 3 385.431 3.303 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCC(OCc3ccccc3F)CC2)c1 ZINC000826372533 1450444183 /nfs/dbraw/zinc/44/41/83/1450444183.db2.gz AOLKUHFXPZPIAS-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCC(OCc3ccccc3F)CC2)c1 ZINC000826372533 1450444185 /nfs/dbraw/zinc/44/41/85/1450444185.db2.gz AOLKUHFXPZPIAS-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCC(CN2CCc3ccccc32)CC1 ZINC000737647202 1450452862 /nfs/dbraw/zinc/45/28/62/1450452862.db2.gz CMVWHHARSNXXNM-UHFFFAOYSA-N -1 3 392.482 3.281 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCC(CN2CCc3ccccc32)CC1 ZINC000737647202 1450452865 /nfs/dbraw/zinc/45/28/65/1450452865.db2.gz CMVWHHARSNXXNM-UHFFFAOYSA-N -1 3 392.482 3.281 20 0 GGADHM CN(C)[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1Cl ZINC000736762766 1450508426 /nfs/dbraw/zinc/50/84/26/1450508426.db2.gz XCWLJQUBMCKYQX-SFHVURJKSA-N -1 3 393.882 3.205 20 0 GGADHM Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1F ZINC000826261439 1450516565 /nfs/dbraw/zinc/51/65/65/1450516565.db2.gz FQAGCSWOIRGSIL-AUUYWEPGSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1F ZINC000826261439 1450516568 /nfs/dbraw/zinc/51/65/68/1450516568.db2.gz FQAGCSWOIRGSIL-AUUYWEPGSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccccc1[C@@H]1CN(CCCOc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000737424778 945063984 /nfs/dbraw/zinc/06/39/84/945063984.db2.gz XAUCWSDYGRKQMA-FQEVSTJZSA-N -1 3 379.464 3.018 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H](c1ccco1)c1ccccc1 ZINC000738099243 945187083 /nfs/dbraw/zinc/18/70/83/945187083.db2.gz DWLDPLSMVFJYGL-SFHVURJKSA-N -1 3 392.394 3.188 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H](c1ccco1)c1ccccc1 ZINC000738099243 945187085 /nfs/dbraw/zinc/18/70/85/945187085.db2.gz DWLDPLSMVFJYGL-SFHVURJKSA-N -1 3 392.394 3.188 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N(Cc1ccc(F)cc1)C1CC1 ZINC000738100884 945188490 /nfs/dbraw/zinc/18/84/90/945188490.db2.gz UEOCOMYQVZRCSF-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N(Cc1ccc(F)cc1)C1CC1 ZINC000738100884 945188496 /nfs/dbraw/zinc/18/84/96/945188496.db2.gz UEOCOMYQVZRCSF-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM CC1CCN([C@H](CNC(=O)N[C@](C)(C(=O)[O-])C2CC2)c2cccs2)CC1 ZINC000780346276 939108187 /nfs/dbraw/zinc/10/81/87/939108187.db2.gz ULMFJKOOSGWVSM-BEFAXECRSA-N -1 3 379.526 3.074 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(OC)c1 ZINC000780373988 939112233 /nfs/dbraw/zinc/11/22/33/939112233.db2.gz LUANSFOWXYABFV-SFHVURJKSA-N -1 3 391.512 3.165 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780494195 939128659 /nfs/dbraw/zinc/12/86/59/939128659.db2.gz HLMVKZALYJYYOV-VQTJNVASSA-N -1 3 387.524 3.465 20 0 GGADHM O=C([O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000902860916 939290958 /nfs/dbraw/zinc/29/09/58/939290958.db2.gz YRDFJFHSSADGND-QFBILLFUSA-N -1 3 388.414 3.119 20 0 GGADHM CCc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000908621067 939302436 /nfs/dbraw/zinc/30/24/36/939302436.db2.gz PXRSYISYTXNUJS-JOCHJYFZSA-N -1 3 381.476 3.490 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Nc2ccc3c(c2)CCC3)CCCN(Cc2ccccc2)C1 ZINC000908620236 939302702 /nfs/dbraw/zinc/30/27/02/939302702.db2.gz LWLYSVCPOBGFRG-HSZRJFAPSA-N -1 3 393.487 3.416 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Nc2cc(C3CC3)ccn2)CCCN(Cc2ccccc2)C1 ZINC000908672688 939305322 /nfs/dbraw/zinc/30/53/22/939305322.db2.gz BORWQWCMVQPCAC-QFIPXVFZSA-N -1 3 394.475 3.200 20 0 GGADHM O=C([O-])[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1F ZINC000908750317 939310727 /nfs/dbraw/zinc/31/07/27/939310727.db2.gz CPBUICIIQSZROR-RDJZCZTQSA-N -1 3 391.468 3.149 20 0 GGADHM C[C@H]1CC[C@@](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)(C(=O)[O-])CC1 ZINC000908750191 939310939 /nfs/dbraw/zinc/31/09/39/939310939.db2.gz BUYLGRHOEUHRGQ-DOXZYTNZSA-N -1 3 379.526 3.218 20 0 GGADHM O=C([O-])[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1F ZINC000908750215 939311117 /nfs/dbraw/zinc/31/11/17/939311117.db2.gz CPBUICIIQSZROR-DOTOQJQBSA-N -1 3 391.468 3.149 20 0 GGADHM O=C([O-])[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1cccs1 ZINC000908750762 939311592 /nfs/dbraw/zinc/31/15/92/939311592.db2.gz IFHIZPWDKNTAQN-WFASDCNBSA-N -1 3 379.507 3.072 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)N(C)C)cc1 ZINC000908753728 939312583 /nfs/dbraw/zinc/31/25/83/939312583.db2.gz OUFIOVYNFLMIPO-REWPJTCUSA-N -1 3 395.503 3.077 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)NC2(C(=O)[O-])CCCCCC2)N(C)C)cc1 ZINC000908753169 939313013 /nfs/dbraw/zinc/31/30/13/939313013.db2.gz NFSPVTLZWYXZAU-GOSISDBHSA-N -1 3 375.513 3.329 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908756705 939313171 /nfs/dbraw/zinc/31/31/71/939313171.db2.gz MCKMBXOYWSMFLY-QUCCMNQESA-N -1 3 381.476 3.003 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000908755359 939313224 /nfs/dbraw/zinc/31/32/24/939313224.db2.gz XELLOUKNWGMAGR-UGKGYDQZSA-N -1 3 383.492 3.151 20 0 GGADHM Cc1cccc([C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908756703 939313779 /nfs/dbraw/zinc/31/37/79/939313779.db2.gz MCKMBXOYWSMFLY-AZUAARDMSA-N -1 3 381.476 3.003 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908757271 939314485 /nfs/dbraw/zinc/31/44/85/939314485.db2.gz SEAFHZNMXABTRS-VQTJNVASSA-N -1 3 381.476 3.003 20 0 GGADHM CC(C)(CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)N1CCc2ccccc2C1 ZINC000908805673 939323529 /nfs/dbraw/zinc/32/35/29/939323529.db2.gz AYUOBPMFFLDWIT-IBGZPJMESA-N -1 3 399.466 3.088 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccsc1 ZINC000908807056 939323847 /nfs/dbraw/zinc/32/38/47/939323847.db2.gz SIUOGQJQZNSIER-IRXDYDNUSA-N -1 3 393.484 3.395 20 0 GGADHM CC(C)(CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)N1CCc2ccccc2C1 ZINC000908806817 939323863 /nfs/dbraw/zinc/32/38/63/939323863.db2.gz KYONXTXSNHQMHX-HSZRJFAPSA-N -1 3 395.503 3.123 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccsc1 ZINC000908807057 939324060 /nfs/dbraw/zinc/32/40/60/939324060.db2.gz SIUOGQJQZNSIER-SJORKVTESA-N -1 3 393.484 3.395 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)N1CCc2ccccc2C1 ZINC000908808513 939324078 /nfs/dbraw/zinc/32/40/78/939324078.db2.gz AUUIUWCPBUKAIY-BPXKWBHBSA-N -1 3 387.524 3.156 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccsc1 ZINC000908807024 939324080 /nfs/dbraw/zinc/32/40/80/939324080.db2.gz RYFSPXCTYASJAT-HIFRSBDPSA-N -1 3 381.523 3.318 20 0 GGADHM CC(C)(CNC(=O)N[C@H](C(=O)[O-])c1cccs1)N1CCc2ccccc2C1 ZINC000908807521 939324286 /nfs/dbraw/zinc/32/42/86/939324286.db2.gz OXCRLKAENNRCQD-KRWDZBQOSA-N -1 3 387.505 3.010 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccsc1 ZINC000908807023 939324304 /nfs/dbraw/zinc/32/43/04/939324304.db2.gz RYFSPXCTYASJAT-DZGCQCFKSA-N -1 3 381.523 3.318 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)N1CCc2ccccc2C1 ZINC000908809675 939324532 /nfs/dbraw/zinc/32/45/32/939324532.db2.gz OPYRQLAPVMUNBU-NZQKXSOJSA-N -1 3 395.503 3.123 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)N1CCc2ccccc2C1 ZINC000908810177 939324732 /nfs/dbraw/zinc/32/47/32/939324732.db2.gz DOVCUWUANSDNCC-FXAWDEMLSA-N -1 3 399.466 3.088 20 0 GGADHM Cc1cc([C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C(=O)[O-])ccc1F ZINC000908820788 939328601 /nfs/dbraw/zinc/32/86/01/939328601.db2.gz SOSJCCKPHOAXLG-HXUWFJFHSA-N -1 3 399.466 3.007 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908846824 939334912 /nfs/dbraw/zinc/33/49/12/939334912.db2.gz DCQPGFQJWJPLDL-RTWAWAEBSA-N -1 3 395.503 3.393 20 0 GGADHM CCC1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908846813 939335111 /nfs/dbraw/zinc/33/51/11/939335111.db2.gz CYODDTNMAHDPMZ-OZWAEMERSA-N -1 3 387.524 3.374 20 0 GGADHM Cc1cccc([C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908847680 939335603 /nfs/dbraw/zinc/33/56/03/939335603.db2.gz RTZCBTYSVBLDPW-PZJWPPBQSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)N(C)C)cc1 ZINC000908857485 939337028 /nfs/dbraw/zinc/33/70/28/939337028.db2.gz ABRKNVGGDGBPPY-VQTJNVASSA-N -1 3 383.492 3.340 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)N(C)C)cc1 ZINC000908857599 939337666 /nfs/dbraw/zinc/33/76/66/939337666.db2.gz CRDQFXNMNPMCLR-WOJBJXKFSA-N -1 3 383.492 3.340 20 0 GGADHM CC[C@@](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)(C(=O)[O-])c1ccccc1 ZINC000908859774 939339066 /nfs/dbraw/zinc/33/90/66/939339066.db2.gz QIGZZVNJTLCDTP-UGKGYDQZSA-N -1 3 383.492 3.287 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)N(C)C)cc1 ZINC000908860168 939339285 /nfs/dbraw/zinc/33/92/85/939339285.db2.gz WTKLWERKYMDSPI-RTBURBONSA-N -1 3 387.455 3.170 20 0 GGADHM CN(CCNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)Cc1ccccc1 ZINC000908876571 939343319 /nfs/dbraw/zinc/34/33/19/939343319.db2.gz YFDSDSKNYVXKAG-KRWDZBQOSA-N -1 3 393.846 3.036 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000908884664 939345089 /nfs/dbraw/zinc/34/50/89/939345089.db2.gz MJRKIFGAVMYRFT-ZWDAVXSWSA-N -1 3 381.476 3.121 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2cccs2)N2CCCC2)cc1 ZINC000908898579 939347200 /nfs/dbraw/zinc/34/72/00/939347200.db2.gz KWUHOPVGFOGMNY-WMZOPIPTSA-N -1 3 387.505 3.319 20 0 GGADHM Cc1cccc([C@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])c1C ZINC000908989118 939367480 /nfs/dbraw/zinc/36/74/80/939367480.db2.gz NACDHINKNDELGY-UZLBHIALSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])c1C ZINC000908989110 939367492 /nfs/dbraw/zinc/36/74/92/939367492.db2.gz NACDHINKNDELGY-OXQOHEQNSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C(=O)[O-])ccc1F ZINC000909001424 939369443 /nfs/dbraw/zinc/36/94/43/939369443.db2.gz LFJXAHVVTQHTFF-XPGWFJOJSA-N -1 3 399.466 3.222 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)CCN1Cc1ccccc1 ZINC000909001414 939369530 /nfs/dbraw/zinc/36/95/30/939369530.db2.gz KXCLPJMUPXDIFM-UXPWSPDFSA-N -1 3 387.524 3.372 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])c1 ZINC000908998496 939369542 /nfs/dbraw/zinc/36/95/42/939369542.db2.gz SODDJQFFWGFWSW-NHCUHLMSSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C(=O)[O-])c1 ZINC000909002145 939370065 /nfs/dbraw/zinc/37/00/65/939370065.db2.gz PUPOKPRINHOMHF-QMMLZNLJSA-N -1 3 395.503 3.391 20 0 GGADHM CCC1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)(C(=O)[O-])CC1 ZINC000909066525 939376072 /nfs/dbraw/zinc/37/60/72/939376072.db2.gz IHMKYZIYJXPOMM-KJUWTFRMSA-N -1 3 387.524 3.230 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[O-])ccc1F ZINC000909071436 939377195 /nfs/dbraw/zinc/37/71/95/939377195.db2.gz YDOXKBJOJZWBPN-YSSFQJQWSA-N -1 3 399.466 3.080 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[O-])cc1C ZINC000909071338 939377326 /nfs/dbraw/zinc/37/73/26/939377326.db2.gz VWJLJVJARVIJGN-YYWHXJBOSA-N -1 3 395.503 3.249 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)CN1Cc1ccccc1 ZINC000909095755 939380158 /nfs/dbraw/zinc/38/01/58/939380158.db2.gz WESFMRLZBMZOQQ-UXPWSPDFSA-N -1 3 387.524 3.372 20 0 GGADHM CC[C@](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909094248 939380275 /nfs/dbraw/zinc/38/02/75/939380275.db2.gz IMXPDCWZBKCDGR-XTQVGHSUSA-N -1 3 395.503 3.339 20 0 GGADHM CC[C@](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909094246 939380315 /nfs/dbraw/zinc/38/03/15/939380315.db2.gz IMXPDCWZBKCDGR-HCLVMJGWSA-N -1 3 395.503 3.339 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000909094852 939380589 /nfs/dbraw/zinc/38/05/89/939380589.db2.gz QFAAFBYLXFHRIJ-YYWHXJBOSA-N -1 3 395.503 3.391 20 0 GGADHM COc1ccc([C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])cc1 ZINC000909327900 939395126 /nfs/dbraw/zinc/39/51/26/939395126.db2.gz FVTBRMOUPXBPSQ-FQEVSTJZSA-N -1 3 382.460 3.237 20 0 GGADHM O=C([O-])[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc2ccccc2c1 ZINC000909528271 939402609 /nfs/dbraw/zinc/40/26/09/939402609.db2.gz QWPQBGHSGGVKOR-OAQYLSRUSA-N -1 3 396.487 3.117 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1C[C@]12CCOc1ccccc12 ZINC000738209438 945255336 /nfs/dbraw/zinc/25/53/36/945255336.db2.gz OHVQGJMROXAVOM-XCLFUZPHSA-N -1 3 393.472 3.096 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1C[C@]12CCOc1ccccc12 ZINC000738209438 945255339 /nfs/dbraw/zinc/25/53/39/945255339.db2.gz OHVQGJMROXAVOM-XCLFUZPHSA-N -1 3 393.472 3.096 20 0 GGADHM CCO[C@@H]1C[C@](NC(=O)c2cccc(CN3CCCCC3)c2)(C(=O)[O-])C1(C)C ZINC000909605771 939722106 /nfs/dbraw/zinc/72/21/06/939722106.db2.gz YEZPVWPCDSCKEX-GCJKJVERSA-N -1 3 388.508 3.061 20 0 GGADHM CCO[C@@H]1C[C@@](NC(=O)c2cccc(CN3CCCCC3)c2)(C(=O)[O-])C1(C)C ZINC000909605773 939722302 /nfs/dbraw/zinc/72/23/02/939722302.db2.gz YEZPVWPCDSCKEX-XMSQKQJNSA-N -1 3 388.508 3.061 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000909631815 939723687 /nfs/dbraw/zinc/72/36/87/939723687.db2.gz BXEABYUJWFCLPW-YOEHRIQHSA-N -1 3 376.453 3.041 20 0 GGADHM O=C([O-])[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc2ccccc21 ZINC000910935675 939759123 /nfs/dbraw/zinc/75/91/23/939759123.db2.gz JSVHQVWUSKASQG-OAQYLSRUSA-N -1 3 396.487 3.117 20 0 GGADHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)n1C1CC1 ZINC001123372116 939821749 /nfs/dbraw/zinc/82/17/49/939821749.db2.gz JDIFXIWXSUJEBP-QHCPKHFHSA-N -1 3 395.503 3.289 20 0 GGADHM Cc1c(Cl)cccc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123377063 939823697 /nfs/dbraw/zinc/82/36/97/939823697.db2.gz RMRBZZXFPGBAPH-OAQYLSRUSA-N -1 3 386.879 3.498 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CCCN(Cc2ccccc2)C1 ZINC001123379497 939824043 /nfs/dbraw/zinc/82/40/43/939824043.db2.gz XJYASJLKBZUAGA-SIKLNZKXSA-N -1 3 398.890 3.215 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@H](C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000663109034 939855915 /nfs/dbraw/zinc/85/59/15/939855915.db2.gz BJYUWKNQEJGFFK-HZPDHXFCSA-N -1 3 386.414 3.315 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(OC)c1 ZINC000663113647 939856557 /nfs/dbraw/zinc/85/65/57/939856557.db2.gz YHMPQVXGIIHXAB-RTBURBONSA-N -1 3 376.497 3.085 20 0 GGADHM C[C@@](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)(C(=O)[O-])c1ccccc1 ZINC000663140803 939857327 /nfs/dbraw/zinc/85/73/27/939857327.db2.gz HYGVENSOYHZODW-JTSKRJEESA-N -1 3 384.451 3.154 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000820097672 945348756 /nfs/dbraw/zinc/34/87/56/945348756.db2.gz QZQCVWKZARTTPV-SNVBAGLBSA-N -1 3 377.836 3.249 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000820097672 945348768 /nfs/dbraw/zinc/34/87/68/945348768.db2.gz QZQCVWKZARTTPV-SNVBAGLBSA-N -1 3 377.836 3.249 20 0 GGADHM CC(C)OC(=O)C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820142291 945362333 /nfs/dbraw/zinc/36/23/33/945362333.db2.gz JKXZHTLYNDZXDW-HNNXBMFYSA-N -1 3 386.843 3.410 20 0 GGADHM CC(C)OC(=O)C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820142291 945362344 /nfs/dbraw/zinc/36/23/44/945362344.db2.gz JKXZHTLYNDZXDW-HNNXBMFYSA-N -1 3 386.843 3.410 20 0 GGADHM Cc1ccnc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1Br ZINC001600600125 970833036 /nfs/dbraw/zinc/83/30/36/970833036.db2.gz UNKKABKPILULCS-LSDHHAIUSA-N -1 3 375.266 3.453 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1cccc(F)c1I ZINC001601659714 971038618 /nfs/dbraw/zinc/03/86/18/971038618.db2.gz KBUYAUYOXGMNHL-AWEZNQCLSA-N -1 3 399.203 3.216 20 0 GGADHM CC(C)(C)[C@H](O)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735596617 944679119 /nfs/dbraw/zinc/67/91/19/944679119.db2.gz KVUAWMFMUFAQBL-QGZVFWFLSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)(C)[C@H](O)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735596617 944679123 /nfs/dbraw/zinc/67/91/23/944679123.db2.gz KVUAWMFMUFAQBL-QGZVFWFLSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)c1ncc2c(n1)CN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CC2 ZINC000735942273 944728372 /nfs/dbraw/zinc/72/83/72/944728372.db2.gz HFDBIHNEGFEHPH-UHFFFAOYSA-N -1 3 389.385 3.362 20 0 GGADHM CC(C)c1ncc2c(n1)CN(c1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CC2 ZINC000735942273 944728377 /nfs/dbraw/zinc/72/83/77/944728377.db2.gz HFDBIHNEGFEHPH-UHFFFAOYSA-N -1 3 389.385 3.362 20 0 GGADHM CC[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736356301 944811051 /nfs/dbraw/zinc/81/10/51/944811051.db2.gz MEFSRVIZUUCCRW-MOPGFXCFSA-N -1 3 382.512 3.311 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCC2 ZINC000736611198 944857164 /nfs/dbraw/zinc/85/71/64/944857164.db2.gz IXHQTYLJIQRIDV-ZIAGYGMSSA-N -1 3 392.916 3.154 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC000736611198 944857169 /nfs/dbraw/zinc/85/71/69/944857169.db2.gz IXHQTYLJIQRIDV-ZIAGYGMSSA-N -1 3 392.916 3.154 20 0 GGADHM COCc1cccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737022284 944933604 /nfs/dbraw/zinc/93/36/04/944933604.db2.gz PXYPUGGEMQKWMY-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM COCc1cccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737022284 944933614 /nfs/dbraw/zinc/93/36/14/944933614.db2.gz PXYPUGGEMQKWMY-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1c[nH]c2c1cccc2C ZINC000737026491 944934884 /nfs/dbraw/zinc/93/48/84/944934884.db2.gz WOLMIZRWEQKKAW-UHFFFAOYSA-N -1 3 377.404 3.203 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1c[nH]c2c1cccc2C ZINC000737026491 944934895 /nfs/dbraw/zinc/93/48/95/944934895.db2.gz WOLMIZRWEQKKAW-UHFFFAOYSA-N -1 3 377.404 3.203 20 0 GGADHM COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)c1 ZINC000737108781 944961687 /nfs/dbraw/zinc/96/16/87/944961687.db2.gz CKLJDULBLXGVLU-LLVKDONJSA-N -1 3 385.449 3.003 20 0 GGADHM COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)c1 ZINC000737108781 944961695 /nfs/dbraw/zinc/96/16/95/944961695.db2.gz CKLJDULBLXGVLU-LLVKDONJSA-N -1 3 385.449 3.003 20 0 GGADHM Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000737314282 945036100 /nfs/dbraw/zinc/03/61/00/945036100.db2.gz AZNUCTUEMTZQKQ-GFCCVEGCSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000737314282 945036111 /nfs/dbraw/zinc/03/61/11/945036111.db2.gz AZNUCTUEMTZQKQ-GFCCVEGCSA-N -1 3 399.838 3.321 20 0 GGADHM CC(C)c1noc(CCCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC000820211335 945383147 /nfs/dbraw/zinc/38/31/47/945383147.db2.gz IVAYHAAGYDLRKX-UHFFFAOYSA-N -1 3 381.362 3.437 20 0 GGADHM CC(C)c1noc(CCCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000820211335 945383159 /nfs/dbraw/zinc/38/31/59/945383159.db2.gz IVAYHAAGYDLRKX-UHFFFAOYSA-N -1 3 381.362 3.437 20 0 GGADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cccc(F)c1 ZINC000820225309 945390089 /nfs/dbraw/zinc/39/00/89/945390089.db2.gz GBSJJJJSAVYCJU-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1cccc(F)c1 ZINC000820225309 945390098 /nfs/dbraw/zinc/39/00/98/945390098.db2.gz GBSJJJJSAVYCJU-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357479 945428218 /nfs/dbraw/zinc/42/82/18/945428218.db2.gz HAHXBDJOAFUCGQ-CYBMUJFWSA-N -1 3 380.427 3.098 20 0 GGADHM C[C@@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357479 945428227 /nfs/dbraw/zinc/42/82/27/945428227.db2.gz HAHXBDJOAFUCGQ-CYBMUJFWSA-N -1 3 380.427 3.098 20 0 GGADHM C[C@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357480 945428795 /nfs/dbraw/zinc/42/87/95/945428795.db2.gz HAHXBDJOAFUCGQ-ZDUSSCGKSA-N -1 3 380.427 3.098 20 0 GGADHM C[C@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357480 945428802 /nfs/dbraw/zinc/42/88/02/945428802.db2.gz HAHXBDJOAFUCGQ-ZDUSSCGKSA-N -1 3 380.427 3.098 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nc2ccc(Cl)cc2n1C ZINC000820500335 945465955 /nfs/dbraw/zinc/46/59/55/945465955.db2.gz DKGKMYLXZPQIIH-LLVKDONJSA-N -1 3 396.838 3.254 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nc2ccc(Cl)cc2n1C ZINC000820500335 945465960 /nfs/dbraw/zinc/46/59/60/945465960.db2.gz DKGKMYLXZPQIIH-LLVKDONJSA-N -1 3 396.838 3.254 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2c(F)cccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512272 945470568 /nfs/dbraw/zinc/47/05/68/945470568.db2.gz IPHHJRIGUQZJMU-LLVKDONJSA-N -1 3 396.357 3.249 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2c(F)cccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512272 945470576 /nfs/dbraw/zinc/47/05/76/945470576.db2.gz IPHHJRIGUQZJMU-LLVKDONJSA-N -1 3 396.357 3.249 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000820542438 945481226 /nfs/dbraw/zinc/48/12/26/945481226.db2.gz NZWOSSKOKUKDAO-ABAIWWIYSA-N -1 3 397.401 3.261 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000820542438 945481230 /nfs/dbraw/zinc/48/12/30/945481230.db2.gz NZWOSSKOKUKDAO-ABAIWWIYSA-N -1 3 397.401 3.261 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)o1 ZINC000820674693 945518740 /nfs/dbraw/zinc/51/87/40/945518740.db2.gz FWEYQIRIANTGET-CXAGYDPISA-N -1 3 394.479 3.156 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)o1 ZINC000820674693 945518747 /nfs/dbraw/zinc/51/87/47/945518747.db2.gz FWEYQIRIANTGET-CXAGYDPISA-N -1 3 394.479 3.156 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)o1 ZINC000820674696 945519304 /nfs/dbraw/zinc/51/93/04/945519304.db2.gz FWEYQIRIANTGET-SUMWQHHRSA-N -1 3 394.479 3.156 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)o1 ZINC000820674696 945519313 /nfs/dbraw/zinc/51/93/13/945519313.db2.gz FWEYQIRIANTGET-SUMWQHHRSA-N -1 3 394.479 3.156 20 0 GGADHM C[C@H]1CCC[C@@H](CC(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000820697542 945528342 /nfs/dbraw/zinc/52/83/42/945528342.db2.gz IOWRHWUGKXUHGO-QWHCGFSZSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@H]1CCC[C@@H](CC(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820697542 945528345 /nfs/dbraw/zinc/52/83/45/945528345.db2.gz IOWRHWUGKXUHGO-QWHCGFSZSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820723177 945537312 /nfs/dbraw/zinc/53/73/12/945537312.db2.gz WQRSRAZAALLXQS-DJJJIMSYSA-N -1 3 380.427 3.027 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C(C)(C)C1 ZINC000820742482 945542544 /nfs/dbraw/zinc/54/25/44/945542544.db2.gz KZPODZOKTCSQLG-CYBMUJFWSA-N -1 3 381.436 3.299 20 0 GGADHM C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000820752537 945552416 /nfs/dbraw/zinc/55/24/16/945552416.db2.gz OFIFOMZAUYUZGF-KPZWWZAWSA-N -1 3 382.855 3.152 20 0 GGADHM C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000820752537 945552424 /nfs/dbraw/zinc/55/24/24/945552424.db2.gz OFIFOMZAUYUZGF-KPZWWZAWSA-N -1 3 382.855 3.152 20 0 GGADHM C[C@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820753014 945553299 /nfs/dbraw/zinc/55/32/99/945553299.db2.gz VIJHWXVLRGSCBZ-SGTLLEGYSA-N -1 3 382.855 3.152 20 0 GGADHM C[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820753014 945553305 /nfs/dbraw/zinc/55/33/05/945553305.db2.gz VIJHWXVLRGSCBZ-SGTLLEGYSA-N -1 3 382.855 3.152 20 0 GGADHM COC(=O)[C@H](OC(=O)C/C=C/c1ccc(C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821647396 945771760 /nfs/dbraw/zinc/77/17/60/945771760.db2.gz ZGBCXVMDAZDBGC-MEDHRJKHSA-N -1 3 392.415 3.036 20 0 GGADHM COC(=O)[C@H](OC(=O)C/C=C/c1ccc(C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821647396 945771768 /nfs/dbraw/zinc/77/17/68/945771768.db2.gz ZGBCXVMDAZDBGC-MEDHRJKHSA-N -1 3 392.415 3.036 20 0 GGADHM COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OCC(F)(F)F ZINC000821836045 945882679 /nfs/dbraw/zinc/88/26/79/945882679.db2.gz ZCBRIUSVPWAUQZ-UHFFFAOYSA-N -1 3 399.354 3.130 20 0 GGADHM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OCC(F)(F)F ZINC000821836045 945882698 /nfs/dbraw/zinc/88/26/98/945882698.db2.gz ZCBRIUSVPWAUQZ-UHFFFAOYSA-N -1 3 399.354 3.130 20 0 GGADHM COc1ccccc1CN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000821890667 945899328 /nfs/dbraw/zinc/89/93/28/945899328.db2.gz NROFGJWHLXKCFY-CQSZACIVSA-N -1 3 392.463 3.311 20 0 GGADHM COc1ccccc1CN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000821890667 945899331 /nfs/dbraw/zinc/89/93/31/945899331.db2.gz NROFGJWHLXKCFY-CQSZACIVSA-N -1 3 392.463 3.311 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)[C@H](C)CO2)c1 ZINC000822231870 946013952 /nfs/dbraw/zinc/01/39/52/946013952.db2.gz KKMZDNIEAXCCMI-UTKZUKDTSA-N -1 3 393.491 3.324 20 0 GGADHM Cc1cccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1O ZINC000822323249 946050918 /nfs/dbraw/zinc/05/09/18/946050918.db2.gz BCMUQARQHUVCNM-UHFFFAOYSA-N -1 3 391.387 3.305 20 0 GGADHM Cc1cccc2[nH]c(COC(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000822331639 946057533 /nfs/dbraw/zinc/05/75/33/946057533.db2.gz IWDLINROGOEASK-ZDUSSCGKSA-N -1 3 377.404 3.167 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000822350811 946063483 /nfs/dbraw/zinc/06/34/83/946063483.db2.gz HKROENPRERDLPZ-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000822350811 946063493 /nfs/dbraw/zinc/06/34/93/946063493.db2.gz HKROENPRERDLPZ-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1csc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)n1 ZINC000822409316 946083901 /nfs/dbraw/zinc/08/39/01/946083901.db2.gz PUEHOSDIRGPYNC-IAQYHMDHSA-N -1 3 383.481 3.143 20 0 GGADHM Cc1csc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)n1 ZINC000822409316 946083913 /nfs/dbraw/zinc/08/39/13/946083913.db2.gz PUEHOSDIRGPYNC-IAQYHMDHSA-N -1 3 383.481 3.143 20 0 GGADHM O=C([O-])c1ccccc1OCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001602473852 971206981 /nfs/dbraw/zinc/20/69/81/971206981.db2.gz JALDLQDSHMHENN-RHSMWYFYSA-N -1 3 381.350 3.288 20 0 GGADHM Cn1cncc1COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822704580 946160390 /nfs/dbraw/zinc/16/03/90/946160390.db2.gz NKHUXIQNGITOHA-UHFFFAOYSA-N -1 3 392.444 3.108 20 0 GGADHM Cn1cncc1COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822704580 946160399 /nfs/dbraw/zinc/16/03/99/946160399.db2.gz NKHUXIQNGITOHA-UHFFFAOYSA-N -1 3 392.444 3.108 20 0 GGADHM Fc1cc(F)c2c(c1)CCCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822753170 946167920 /nfs/dbraw/zinc/16/79/20/946167920.db2.gz HMSBCSIAXZMUJD-UHFFFAOYSA-N -1 3 395.373 3.148 20 0 GGADHM Fc1cc(F)c2c(c1)CCCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822753170 946167925 /nfs/dbraw/zinc/16/79/25/946167925.db2.gz HMSBCSIAXZMUJD-UHFFFAOYSA-N -1 3 395.373 3.148 20 0 GGADHM O=C(COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1CCCCCC1 ZINC000823040561 946288540 /nfs/dbraw/zinc/28/85/40/946288540.db2.gz NOZWFUSJXMVQCR-UHFFFAOYSA-N -1 3 393.447 3.440 20 0 GGADHM O=C(COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1CCCCCC1 ZINC000823040561 946288545 /nfs/dbraw/zinc/28/85/45/946288545.db2.gz NOZWFUSJXMVQCR-UHFFFAOYSA-N -1 3 393.447 3.440 20 0 GGADHM O=C(Cc1ccco1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000823115864 946320417 /nfs/dbraw/zinc/32/04/17/946320417.db2.gz VKLVVNJAZYGXTH-UHFFFAOYSA-N -1 3 391.406 3.370 20 0 GGADHM O=C(Cc1ccco1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000823115864 946320429 /nfs/dbraw/zinc/32/04/29/946320429.db2.gz VKLVVNJAZYGXTH-UHFFFAOYSA-N -1 3 391.406 3.370 20 0 GGADHM O=C(NCc1ccon1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823265604 946364784 /nfs/dbraw/zinc/36/47/84/946364784.db2.gz BIOMVLYGFBQSJB-UHFFFAOYSA-N -1 3 396.794 3.230 20 0 GGADHM O=C(NCc1ccon1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823265604 946364800 /nfs/dbraw/zinc/36/48/00/946364800.db2.gz BIOMVLYGFBQSJB-UHFFFAOYSA-N -1 3 396.794 3.230 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823444901 946432737 /nfs/dbraw/zinc/43/27/37/946432737.db2.gz QDVVWQILTOORMM-HZPDHXFCSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823444901 946432747 /nfs/dbraw/zinc/43/27/47/946432747.db2.gz QDVVWQILTOORMM-HZPDHXFCSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823443838 946433391 /nfs/dbraw/zinc/43/33/91/946433391.db2.gz FUDMMXGFPIDJTN-HOTGVXAUSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823443838 946433396 /nfs/dbraw/zinc/43/33/96/946433396.db2.gz FUDMMXGFPIDJTN-HOTGVXAUSA-N -1 3 394.435 3.176 20 0 GGADHM O=C(Oc1ccc2c[nH]nc2c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823455305 946435445 /nfs/dbraw/zinc/43/54/45/946435445.db2.gz ZQAKEOFLTNGZRH-UHFFFAOYSA-N -1 3 399.370 3.150 20 0 GGADHM O=C(Oc1ccc2c[nH]nc2c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823455305 946435455 /nfs/dbraw/zinc/43/54/55/946435455.db2.gz ZQAKEOFLTNGZRH-UHFFFAOYSA-N -1 3 399.370 3.150 20 0 GGADHM Brc1ccc(NC[C@H]2OCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823832510 946488118 /nfs/dbraw/zinc/48/81/18/946488118.db2.gz PONCCKYMCDBKKP-MRXNPFEDSA-N -1 3 386.253 3.355 20 0 GGADHM Brc1ccc(NC[C@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823832510 946488122 /nfs/dbraw/zinc/48/81/22/946488122.db2.gz PONCCKYMCDBKKP-MRXNPFEDSA-N -1 3 386.253 3.355 20 0 GGADHM Brc1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823832673 946488353 /nfs/dbraw/zinc/48/83/53/946488353.db2.gz SIWUXYPZAXRAII-IAQYHMDHSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823832673 946488357 /nfs/dbraw/zinc/48/83/57/946488357.db2.gz SIWUXYPZAXRAII-IAQYHMDHSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(N2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823832699 946488967 /nfs/dbraw/zinc/48/89/67/946488967.db2.gz TVDYBQWZJREBOA-UHFFFAOYSA-N -1 3 378.274 3.169 20 0 GGADHM Brc1ccc(N2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823832699 946488971 /nfs/dbraw/zinc/48/89/71/946488971.db2.gz TVDYBQWZJREBOA-UHFFFAOYSA-N -1 3 378.274 3.169 20 0 GGADHM CC(=O)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000824024848 946558440 /nfs/dbraw/zinc/55/84/40/946558440.db2.gz QYJWXPUHPHZLAT-UHFFFAOYSA-N -1 3 388.790 3.184 20 0 GGADHM CC(=O)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000824024848 946558450 /nfs/dbraw/zinc/55/84/50/946558450.db2.gz QYJWXPUHPHZLAT-UHFFFAOYSA-N -1 3 388.790 3.184 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCC=C(F)C1 ZINC000824051970 946569164 /nfs/dbraw/zinc/56/91/64/946569164.db2.gz JQCJMESWEFDABN-NSHDSACASA-N -1 3 390.488 3.083 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CCC=C(F)C1 ZINC000824051970 946569167 /nfs/dbraw/zinc/56/91/67/946569167.db2.gz JQCJMESWEFDABN-NSHDSACASA-N -1 3 390.488 3.083 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000824071856 946575441 /nfs/dbraw/zinc/57/54/41/946575441.db2.gz OZVWBCBKMCDZHA-UONOGXRCSA-N -1 3 389.504 3.138 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000824071856 946575444 /nfs/dbraw/zinc/57/54/44/946575444.db2.gz OZVWBCBKMCDZHA-UONOGXRCSA-N -1 3 389.504 3.138 20 0 GGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824114128 946592670 /nfs/dbraw/zinc/59/26/70/946592670.db2.gz JPFDJNDWHSLJBQ-SFHVURJKSA-N -1 3 397.454 3.048 20 0 GGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824114128 946592684 /nfs/dbraw/zinc/59/26/84/946592684.db2.gz JPFDJNDWHSLJBQ-SFHVURJKSA-N -1 3 397.454 3.048 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000824109663 946594587 /nfs/dbraw/zinc/59/45/87/946594587.db2.gz VJMDDQXVNKVBEV-UHFFFAOYSA-N -1 3 378.864 3.379 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000824109663 946594600 /nfs/dbraw/zinc/59/46/00/946594600.db2.gz VJMDDQXVNKVBEV-UHFFFAOYSA-N -1 3 378.864 3.379 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824222820 946626232 /nfs/dbraw/zinc/62/62/32/946626232.db2.gz CACSKCCPTHLHPI-LJQANCHMSA-N -1 3 377.448 3.316 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824222820 946626243 /nfs/dbraw/zinc/62/62/43/946626243.db2.gz CACSKCCPTHLHPI-LJQANCHMSA-N -1 3 377.448 3.316 20 0 GGADHM Brc1cc(N2CCC[C@@H](OC3CCC3)C2)ccc1-c1nnn[n-]1 ZINC001573279025 946627915 /nfs/dbraw/zinc/62/79/15/946627915.db2.gz CYGRKLOUHSNTMS-CYBMUJFWSA-N -1 3 378.274 3.167 20 0 GGADHM Brc1cc(N2CCC[C@@H](OC3CCC3)C2)ccc1-c1nn[n-]n1 ZINC001573279025 946627923 /nfs/dbraw/zinc/62/79/23/946627923.db2.gz CYGRKLOUHSNTMS-CYBMUJFWSA-N -1 3 378.274 3.167 20 0 GGADHM Brc1cc(N2CCC[C@H](OC3CCC3)C2)ccc1-c1nnn[n-]1 ZINC001573279027 946628382 /nfs/dbraw/zinc/62/83/82/946628382.db2.gz CYGRKLOUHSNTMS-ZDUSSCGKSA-N -1 3 378.274 3.167 20 0 GGADHM Brc1cc(N2CCC[C@H](OC3CCC3)C2)ccc1-c1nn[n-]n1 ZINC001573279027 946628391 /nfs/dbraw/zinc/62/83/91/946628391.db2.gz CYGRKLOUHSNTMS-ZDUSSCGKSA-N -1 3 378.274 3.167 20 0 GGADHM Brc1cc(N2CC[C@]3(CNc4ccccc43)C2)ccc1-c1nnn[n-]1 ZINC001573279090 946629691 /nfs/dbraw/zinc/62/96/91/946629691.db2.gz DTAJRYWHXAQQHG-SFHVURJKSA-N -1 3 397.280 3.203 20 0 GGADHM Brc1cc(N2CC[C@]3(CNc4ccccc43)C2)ccc1-c1nn[n-]n1 ZINC001573279090 946629695 /nfs/dbraw/zinc/62/96/95/946629695.db2.gz DTAJRYWHXAQQHG-SFHVURJKSA-N -1 3 397.280 3.203 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)cc1OCc1cnc2ccccc2n1 ZINC001573279049 946631440 /nfs/dbraw/zinc/63/14/40/946631440.db2.gz DGGNGGMEAGJUSN-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)cc1OCc1cnc2ccccc2n1 ZINC001573279049 946631445 /nfs/dbraw/zinc/63/14/45/946631445.db2.gz DGGNGGMEAGJUSN-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM CC(C)COC[C@H](O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000824271059 946641071 /nfs/dbraw/zinc/64/10/71/946641071.db2.gz KONNLXQWVUAODG-HNNXBMFYSA-N -1 3 385.493 3.054 20 0 GGADHM CC(C)COC[C@H](O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000824271059 946641078 /nfs/dbraw/zinc/64/10/78/946641078.db2.gz KONNLXQWVUAODG-HNNXBMFYSA-N -1 3 385.493 3.054 20 0 GGADHM Brc1cnc(N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC001573279552 946642988 /nfs/dbraw/zinc/64/29/88/946642988.db2.gz KCZMLPWSGKMNSQ-NFAWXSAZSA-N -1 3 397.280 3.264 20 0 GGADHM Brc1cnc(N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC001573279552 946642996 /nfs/dbraw/zinc/64/29/96/946642996.db2.gz KCZMLPWSGKMNSQ-NFAWXSAZSA-N -1 3 397.280 3.264 20 0 GGADHM Brc1cnc(N2CC[C@@H](C3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001573279782 946647944 /nfs/dbraw/zinc/64/79/44/946647944.db2.gz NBTFKRCYXKYFOU-GFCCVEGCSA-N -1 3 377.290 3.431 20 0 GGADHM Brc1cnc(N2CC[C@@H](C3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001573279782 946647948 /nfs/dbraw/zinc/64/79/48/946647948.db2.gz NBTFKRCYXKYFOU-GFCCVEGCSA-N -1 3 377.290 3.431 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(NCCc2nc3ccccc3[nH]2)c1 ZINC001573279731 946648361 /nfs/dbraw/zinc/64/83/61/946648361.db2.gz MIGOMZDMURXSIF-UHFFFAOYSA-N -1 3 384.241 3.160 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(NCCc2nc3ccccc3[nH]2)c1 ZINC001573279731 946648367 /nfs/dbraw/zinc/64/83/67/946648367.db2.gz MIGOMZDMURXSIF-UHFFFAOYSA-N -1 3 384.241 3.160 20 0 GGADHM CC(C)OCCCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000824314450 946652024 /nfs/dbraw/zinc/65/20/24/946652024.db2.gz AUFMLQIEMOSVKS-UHFFFAOYSA-N -1 3 392.410 3.055 20 0 GGADHM CC(C)OCCCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000824314450 946652030 /nfs/dbraw/zinc/65/20/30/946652030.db2.gz AUFMLQIEMOSVKS-UHFFFAOYSA-N -1 3 392.410 3.055 20 0 GGADHM Brc1cc(N2CCCC[C@@H]([C@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001573280026 946652642 /nfs/dbraw/zinc/65/26/42/946652642.db2.gz OGHOEOLYDPUAIS-OLZOCXBDSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1cc(N2CCCC[C@@H]([C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001573280026 946652650 /nfs/dbraw/zinc/65/26/50/946652650.db2.gz OGHOEOLYDPUAIS-OLZOCXBDSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1cc(NCCCn2cnc3ccccc32)ccc1-c1nnn[n-]1 ZINC001573280063 946654407 /nfs/dbraw/zinc/65/44/07/946654407.db2.gz OMWCTTHDFOWFAQ-UHFFFAOYSA-N -1 3 398.268 3.481 20 0 GGADHM Brc1cc(NCCCn2cnc3ccccc32)ccc1-c1nn[n-]n1 ZINC001573280063 946654413 /nfs/dbraw/zinc/65/44/13/946654413.db2.gz OMWCTTHDFOWFAQ-UHFFFAOYSA-N -1 3 398.268 3.481 20 0 GGADHM Brc1cnc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nnn[n-]2)c1 ZINC001573280316 946658541 /nfs/dbraw/zinc/65/85/41/946658541.db2.gz OYCQRHYLCCRFNS-UHFFFAOYSA-N -1 3 397.240 3.026 20 0 GGADHM Brc1cnc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nn[n-]n2)c1 ZINC001573280316 946658547 /nfs/dbraw/zinc/65/85/47/946658547.db2.gz OYCQRHYLCCRFNS-UHFFFAOYSA-N -1 3 397.240 3.026 20 0 GGADHM Brc1cnc(NC2CC(Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC001573280322 946659030 /nfs/dbraw/zinc/65/90/30/946659030.db2.gz SJEHYIDISBRHEK-UHFFFAOYSA-N -1 3 386.257 3.079 20 0 GGADHM Brc1cnc(NC2CC(Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC001573280322 946659046 /nfs/dbraw/zinc/65/90/46/946659046.db2.gz SJEHYIDISBRHEK-UHFFFAOYSA-N -1 3 386.257 3.079 20 0 GGADHM Brc1cccc(CNc2nc3ncccc3cc2-c2nnn[n-]2)c1 ZINC001573280433 946661786 /nfs/dbraw/zinc/66/17/86/946661786.db2.gz VWMRRMIXCSKOAN-UHFFFAOYSA-N -1 3 382.225 3.185 20 0 GGADHM Brc1cccc(CNc2nc3ncccc3cc2-c2nn[n-]n2)c1 ZINC001573280433 946661797 /nfs/dbraw/zinc/66/17/97/946661797.db2.gz VWMRRMIXCSKOAN-UHFFFAOYSA-N -1 3 382.225 3.185 20 0 GGADHM Brc1cc(Oc2ccc(-c3nnco3)cc2)ccc1-c1nnn[n-]1 ZINC001573280465 946662156 /nfs/dbraw/zinc/66/21/56/946662156.db2.gz SSIGHYCYRAZNAU-UHFFFAOYSA-N -1 3 385.181 3.472 20 0 GGADHM Brc1cc(Oc2ccc(-c3nnco3)cc2)ccc1-c1nn[n-]n1 ZINC001573280465 946662165 /nfs/dbraw/zinc/66/21/65/946662165.db2.gz SSIGHYCYRAZNAU-UHFFFAOYSA-N -1 3 385.181 3.472 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC001573280538 946664470 /nfs/dbraw/zinc/66/44/70/946664470.db2.gz UDSJQFLXJBOSJP-ABAIWWIYSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC001573280538 946664475 /nfs/dbraw/zinc/66/44/75/946664475.db2.gz UDSJQFLXJBOSJP-ABAIWWIYSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N2CC[C@]3(C2)OCc2ccccc23)c1 ZINC001573280589 946664557 /nfs/dbraw/zinc/66/45/57/946664557.db2.gz UNWSVDRTFMOXFW-GOSISDBHSA-N -1 3 398.264 3.265 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N2CC[C@]3(C2)OCc2ccccc23)c1 ZINC001573280589 946664560 /nfs/dbraw/zinc/66/45/60/946664560.db2.gz UNWSVDRTFMOXFW-GOSISDBHSA-N -1 3 398.264 3.265 20 0 GGADHM Brc1cc(-c2nnn[n-]2)cnc1NC1CC(Nc2ccccc2)C1 ZINC001573280954 946669497 /nfs/dbraw/zinc/66/94/97/946669497.db2.gz WIATZTYCCGKZHW-UHFFFAOYSA-N -1 3 386.257 3.079 20 0 GGADHM Brc1cc(-c2nn[n-]n2)cnc1NC1CC(Nc2ccccc2)C1 ZINC001573280954 946669506 /nfs/dbraw/zinc/66/95/06/946669506.db2.gz WIATZTYCCGKZHW-UHFFFAOYSA-N -1 3 386.257 3.079 20 0 GGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824364952 946669787 /nfs/dbraw/zinc/66/97/87/946669787.db2.gz WTCCTIYKMSTFJY-UHFFFAOYSA-N -1 3 399.462 3.436 20 0 GGADHM CC(C)c1nn(-c2ccccc2)cc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824364952 946669790 /nfs/dbraw/zinc/66/97/90/946669790.db2.gz WTCCTIYKMSTFJY-UHFFFAOYSA-N -1 3 399.462 3.436 20 0 GGADHM CC(C)n1cccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824371557 946671668 /nfs/dbraw/zinc/67/16/68/946671668.db2.gz JXABPVKXFPFJDV-UHFFFAOYSA-N -1 3 396.842 3.341 20 0 GGADHM CC(C)n1cccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824371557 946671678 /nfs/dbraw/zinc/67/16/78/946671678.db2.gz JXABPVKXFPFJDV-UHFFFAOYSA-N -1 3 396.842 3.341 20 0 GGADHM Brc1cc(N2CCSC3(CCC3)CC2)ccc1-c1nnn[n-]1 ZINC001573281153 946672602 /nfs/dbraw/zinc/67/26/02/946672602.db2.gz ZXAFMWKHLLKNFZ-UHFFFAOYSA-N -1 3 380.315 3.495 20 0 GGADHM Brc1cc(N2CCSC3(CCC3)CC2)ccc1-c1nn[n-]n1 ZINC001573281153 946672606 /nfs/dbraw/zinc/67/26/06/946672606.db2.gz ZXAFMWKHLLKNFZ-UHFFFAOYSA-N -1 3 380.315 3.495 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC001573281104 946673067 /nfs/dbraw/zinc/67/30/67/946673067.db2.gz ZKSJIYBCHFWMMR-NHYWBVRUSA-N -1 3 396.314 3.096 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC001573281104 946673073 /nfs/dbraw/zinc/67/30/73/946673073.db2.gz ZKSJIYBCHFWMMR-NHYWBVRUSA-N -1 3 396.314 3.096 20 0 GGADHM C[C@@H](CCO)C1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCC1 ZINC000824406565 946688871 /nfs/dbraw/zinc/68/88/71/946688871.db2.gz NCXHPCDDOINFJB-NSHDSACASA-N -1 3 388.422 3.294 20 0 GGADHM C[C@@H](CCO)C1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCC1 ZINC000824406565 946688880 /nfs/dbraw/zinc/68/88/80/946688880.db2.gz NCXHPCDDOINFJB-NSHDSACASA-N -1 3 388.422 3.294 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cncc2ccccc21 ZINC000824448636 946711778 /nfs/dbraw/zinc/71/17/78/946711778.db2.gz JGOQOHWTVWYHPH-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cncc2ccccc21 ZINC000824448636 946711786 /nfs/dbraw/zinc/71/17/86/946711786.db2.gz JGOQOHWTVWYHPH-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc2ncccc21 ZINC000824450536 946714848 /nfs/dbraw/zinc/71/48/48/946714848.db2.gz XPENMAAPJVBINT-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc2ncccc21 ZINC000824450536 946714855 /nfs/dbraw/zinc/71/48/55/946714855.db2.gz XPENMAAPJVBINT-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824465429 946718224 /nfs/dbraw/zinc/71/82/24/946718224.db2.gz OWJRJYODJAHZNZ-JTQLQIEISA-N -1 3 398.879 3.491 20 0 GGADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824465429 946718229 /nfs/dbraw/zinc/71/82/29/946718229.db2.gz OWJRJYODJAHZNZ-JTQLQIEISA-N -1 3 398.879 3.491 20 0 GGADHM C[C@H](NC(=O)[C@]1(C)CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470248 946720314 /nfs/dbraw/zinc/72/03/14/946720314.db2.gz GVGHNKSJHRGRTB-QKKBWIMNSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@H](NC(=O)[C@]1(C)CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470248 946720325 /nfs/dbraw/zinc/72/03/25/946720325.db2.gz GVGHNKSJHRGRTB-QKKBWIMNSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479902 946729825 /nfs/dbraw/zinc/72/98/25/946729825.db2.gz QXTPNVCSBRPHMG-LIRRHRJNSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479902 946729838 /nfs/dbraw/zinc/72/98/38/946729838.db2.gz QXTPNVCSBRPHMG-LIRRHRJNSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@@H](NC(=O)C=Cc1cnccn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479409 946730543 /nfs/dbraw/zinc/73/05/43/946730543.db2.gz NCTIEWYPPOAGAY-BOLDSZDNSA-N -1 3 397.442 3.214 20 0 GGADHM C[C@@H](NC(=O)C=Cc1cnccn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479409 946730554 /nfs/dbraw/zinc/73/05/54/946730554.db2.gz NCTIEWYPPOAGAY-BOLDSZDNSA-N -1 3 397.442 3.214 20 0 GGADHM CC(C)[C@H](O)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479673 946730757 /nfs/dbraw/zinc/73/07/57/946730757.db2.gz PNHKDLNLPDGQGJ-IFXJQAMLSA-N -1 3 379.464 3.118 20 0 GGADHM CC(C)[C@H](O)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479673 946730767 /nfs/dbraw/zinc/73/07/67/946730767.db2.gz PNHKDLNLPDGQGJ-IFXJQAMLSA-N -1 3 379.464 3.118 20 0 GGADHM CC(=O)NCc1cccc(C(=O)Nc2scc(C(C)(C)C)c2-c2nnn[n-]2)c1 ZINC001573536810 946742753 /nfs/dbraw/zinc/74/27/53/946742753.db2.gz FHVPZAZMJHAQHE-UHFFFAOYSA-N -1 3 398.492 3.114 20 0 GGADHM CC(=O)NCc1cccc(C(=O)Nc2scc(C(C)(C)C)c2-c2nn[n-]n2)c1 ZINC001573536810 946742757 /nfs/dbraw/zinc/74/27/57/946742757.db2.gz FHVPZAZMJHAQHE-UHFFFAOYSA-N -1 3 398.492 3.114 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500700 946749064 /nfs/dbraw/zinc/74/90/64/946749064.db2.gz ZGNWNEDMVNAOOI-AUUYWEPGSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500700 946749069 /nfs/dbraw/zinc/74/90/69/946749069.db2.gz ZGNWNEDMVNAOOI-AUUYWEPGSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824513639 946754348 /nfs/dbraw/zinc/75/43/48/946754348.db2.gz DZTXRVNKUSZAMO-IFXJQAMLSA-N -1 3 377.448 3.252 20 0 GGADHM C[C@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824513639 946754361 /nfs/dbraw/zinc/75/43/61/946754361.db2.gz DZTXRVNKUSZAMO-IFXJQAMLSA-N -1 3 377.448 3.252 20 0 GGADHM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824522908 946761822 /nfs/dbraw/zinc/76/18/22/946761822.db2.gz WPVXZNGELPLGAX-ZDUSSCGKSA-N -1 3 386.415 3.125 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824540223 946779222 /nfs/dbraw/zinc/77/92/22/946779222.db2.gz UEOMKJVOUXJUIO-ACJLOTCBSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540223 946779227 /nfs/dbraw/zinc/77/92/27/946779227.db2.gz UEOMKJVOUXJUIO-ACJLOTCBSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824539675 946780254 /nfs/dbraw/zinc/78/02/54/946780254.db2.gz PDULBQBXMFNVIW-UGSOOPFHSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824539675 946780260 /nfs/dbraw/zinc/78/02/60/946780260.db2.gz PDULBQBXMFNVIW-UGSOOPFHSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824540402 946781490 /nfs/dbraw/zinc/78/14/90/946781490.db2.gz XKORNOKUAYAGDR-XIKOKIGWSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540402 946781500 /nfs/dbraw/zinc/78/15/00/946781500.db2.gz XKORNOKUAYAGDR-XIKOKIGWSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824540278 946782015 /nfs/dbraw/zinc/78/20/15/946782015.db2.gz VGDFNIAQCAJGNN-KZULUSFZSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540278 946782023 /nfs/dbraw/zinc/78/20/23/946782023.db2.gz VGDFNIAQCAJGNN-KZULUSFZSA-N -1 3 395.417 3.319 20 0 GGADHM CC(=O)Nc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC001573542704 946801395 /nfs/dbraw/zinc/80/13/95/946801395.db2.gz LYPTZAPXKGBYOD-LSDHHAIUSA-N -1 3 396.838 3.221 20 0 GGADHM CC(=O)Nc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC001573542704 946801404 /nfs/dbraw/zinc/80/14/04/946801404.db2.gz LYPTZAPXKGBYOD-LSDHHAIUSA-N -1 3 396.838 3.221 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)cc1 ZINC001573546590 946811555 /nfs/dbraw/zinc/81/15/55/946811555.db2.gz GTSUBPVFWMYZHM-UHFFFAOYSA-N -1 3 377.408 3.347 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)cc1 ZINC001573546590 946811565 /nfs/dbraw/zinc/81/15/65/946811565.db2.gz GTSUBPVFWMYZHM-UHFFFAOYSA-N -1 3 377.408 3.347 20 0 GGADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)c1 ZINC001573546721 946818803 /nfs/dbraw/zinc/81/88/03/946818803.db2.gz OFASIZDDVDQTEJ-UHFFFAOYSA-N -1 3 380.383 3.094 20 0 GGADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)c1 ZINC001573546721 946818806 /nfs/dbraw/zinc/81/88/06/946818806.db2.gz OFASIZDDVDQTEJ-UHFFFAOYSA-N -1 3 380.383 3.094 20 0 GGADHM C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ncc(Br)s1 ZINC000824613190 946862526 /nfs/dbraw/zinc/86/25/26/946862526.db2.gz RQPKREJNLPZXMY-SSDOTTSWSA-N -1 3 383.250 3.076 20 0 GGADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ncc(Br)s1 ZINC000824613190 946862538 /nfs/dbraw/zinc/86/25/38/946862538.db2.gz RQPKREJNLPZXMY-SSDOTTSWSA-N -1 3 383.250 3.076 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001573551267 946870568 /nfs/dbraw/zinc/87/05/68/946870568.db2.gz HZDQSBGUURQFQB-CQSZACIVSA-N -1 3 378.432 3.470 20 0 GGADHM CC(=O)c1c(C)cc(OC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001573551267 946870593 /nfs/dbraw/zinc/87/05/93/946870593.db2.gz HZDQSBGUURQFQB-CQSZACIVSA-N -1 3 378.432 3.470 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CSCc1ccc(F)cc1 ZINC001573552455 946877922 /nfs/dbraw/zinc/87/79/22/946877922.db2.gz PHXATNKQPWPDGA-UHFFFAOYSA-N -1 3 385.424 3.080 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CSCc1ccc(F)cc1 ZINC001573552455 946877931 /nfs/dbraw/zinc/87/79/31/946877931.db2.gz PHXATNKQPWPDGA-UHFFFAOYSA-N -1 3 385.424 3.080 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001573552526 946878868 /nfs/dbraw/zinc/87/88/68/946878868.db2.gz QGWPPKVRTKLKRK-URKNILKWSA-N -1 3 399.495 3.485 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001573552526 946878881 /nfs/dbraw/zinc/87/88/81/946878881.db2.gz QGWPPKVRTKLKRK-URKNILKWSA-N -1 3 399.495 3.485 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CSCc1cccc(C)c1 ZINC001573553205 946886072 /nfs/dbraw/zinc/88/60/72/946886072.db2.gz XIAZZLCPENHOSN-UHFFFAOYSA-N -1 3 381.461 3.250 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CSCc1cccc(C)c1 ZINC001573553205 946886084 /nfs/dbraw/zinc/88/60/84/946886084.db2.gz XIAZZLCPENHOSN-UHFFFAOYSA-N -1 3 381.461 3.250 20 0 GGADHM C[C@H](Nc1cncc2ncnn21)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824662483 946886450 /nfs/dbraw/zinc/88/64/50/946886450.db2.gz LJBZWLFMXDDMNH-ZDUSSCGKSA-N -1 3 383.419 3.145 20 0 GGADHM C[C@H](Nc1cncc2ncnn21)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824662483 946886460 /nfs/dbraw/zinc/88/64/60/946886460.db2.gz LJBZWLFMXDDMNH-ZDUSSCGKSA-N -1 3 383.419 3.145 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C=Cc1ccnc2ccccc12 ZINC001573553627 946889892 /nfs/dbraw/zinc/88/98/92/946889892.db2.gz YZFUCZIKIRBHJC-CLFYSBASSA-N -1 3 384.399 3.269 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C=Cc1ccnc2ccccc12 ZINC001573553627 946889905 /nfs/dbraw/zinc/88/99/05/946889905.db2.gz YZFUCZIKIRBHJC-CLFYSBASSA-N -1 3 384.399 3.269 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccccc1-c1ccncc1 ZINC001573554131 946893728 /nfs/dbraw/zinc/89/37/28/946893728.db2.gz NBSLVECQZPCHPQ-UHFFFAOYSA-N -1 3 384.399 3.384 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccccc1-c1ccncc1 ZINC001573554131 946893730 /nfs/dbraw/zinc/89/37/30/946893730.db2.gz NBSLVECQZPCHPQ-UHFFFAOYSA-N -1 3 384.399 3.384 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccccc1Br ZINC001573553758 946894259 /nfs/dbraw/zinc/89/42/59/946894259.db2.gz KLANYBLEDKHYOB-UHFFFAOYSA-N -1 3 386.209 3.084 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccccc1Br ZINC001573553758 946894274 /nfs/dbraw/zinc/89/42/74/946894274.db2.gz KLANYBLEDKHYOB-UHFFFAOYSA-N -1 3 386.209 3.084 20 0 GGADHM C[C@H](O)CCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824697855 946898933 /nfs/dbraw/zinc/89/89/33/946898933.db2.gz HBJBYWFUCGSPLV-GJZGRUSLSA-N -1 3 394.479 3.007 20 0 GGADHM C[C@H](O)CCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824697855 946898943 /nfs/dbraw/zinc/89/89/43/946898943.db2.gz HBJBYWFUCGSPLV-GJZGRUSLSA-N -1 3 394.479 3.007 20 0 GGADHM C[C@H](O)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824691229 946899266 /nfs/dbraw/zinc/89/92/66/946899266.db2.gz YCGKJBFTIDAUSK-KKUMJFAQSA-N -1 3 394.479 3.053 20 0 GGADHM C[C@H](O)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824691229 946899276 /nfs/dbraw/zinc/89/92/76/946899276.db2.gz YCGKJBFTIDAUSK-KKUMJFAQSA-N -1 3 394.479 3.053 20 0 GGADHM C[C@@H](O)CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000824699972 946905195 /nfs/dbraw/zinc/90/51/95/946905195.db2.gz WGQJNSPVMLYTED-LLVKDONJSA-N -1 3 378.864 3.068 20 0 GGADHM C[C@@H](O)CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000824699972 946905203 /nfs/dbraw/zinc/90/52/03/946905203.db2.gz WGQJNSPVMLYTED-LLVKDONJSA-N -1 3 378.864 3.068 20 0 GGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000824722945 946912827 /nfs/dbraw/zinc/91/28/27/946912827.db2.gz KNNNLKSRSCTIHU-SSDOTTSWSA-N -1 3 380.177 3.014 20 0 GGADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000824722945 946912840 /nfs/dbraw/zinc/91/28/40/946912840.db2.gz KNNNLKSRSCTIHU-SSDOTTSWSA-N -1 3 380.177 3.014 20 0 GGADHM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000824737842 946918715 /nfs/dbraw/zinc/91/87/15/946918715.db2.gz KKOGWKKCSQTHHF-AWEZNQCLSA-N -1 3 377.448 3.347 20 0 GGADHM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000824737842 946918722 /nfs/dbraw/zinc/91/87/22/946918722.db2.gz KKOGWKKCSQTHHF-AWEZNQCLSA-N -1 3 377.448 3.347 20 0 GGADHM CC(=O)c1ccc(OC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC001573555928 946919596 /nfs/dbraw/zinc/91/95/96/946919596.db2.gz IGJBADKLERIIJU-UHFFFAOYSA-N -1 3 382.807 3.360 20 0 GGADHM CC(=O)c1ccc(OC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC001573555928 946919604 /nfs/dbraw/zinc/91/96/04/946919604.db2.gz IGJBADKLERIIJU-UHFFFAOYSA-N -1 3 382.807 3.360 20 0 GGADHM CC(=O)c1cncc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC001573558988 946944284 /nfs/dbraw/zinc/94/42/84/946944284.db2.gz TUXFDNULCSHREX-UHFFFAOYSA-N -1 3 398.426 3.311 20 0 GGADHM CC(=O)c1cncc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC001573558988 946944291 /nfs/dbraw/zinc/94/42/91/946944291.db2.gz TUXFDNULCSHREX-UHFFFAOYSA-N -1 3 398.426 3.311 20 0 GGADHM CC(=O)c1csc(C(=O)Nc2cccc(-c3nnn[n-]3)c2Br)c1 ZINC001573558969 946945716 /nfs/dbraw/zinc/94/57/16/946945716.db2.gz SLFYBEXRJGAYEL-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1csc(C(=O)Nc2cccc(-c3nn[n-]n3)c2Br)c1 ZINC001573558969 946945721 /nfs/dbraw/zinc/94/57/21/946945721.db2.gz SLFYBEXRJGAYEL-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000824864338 946953843 /nfs/dbraw/zinc/95/38/43/946953843.db2.gz AKVGAHCYHAXXLY-HIFRSBDPSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000824864338 946953854 /nfs/dbraw/zinc/95/38/54/946953854.db2.gz AKVGAHCYHAXXLY-HIFRSBDPSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000824864315 946953950 /nfs/dbraw/zinc/95/39/50/946953950.db2.gz AHGPOPGIKWCFLI-DZGCQCFKSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824864315 946953961 /nfs/dbraw/zinc/95/39/61/946953961.db2.gz AHGPOPGIKWCFLI-DZGCQCFKSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000824866749 946958495 /nfs/dbraw/zinc/95/84/95/946958495.db2.gz NBZFCRDMGMXFTQ-ZIAGYGMSSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000824866749 946958504 /nfs/dbraw/zinc/95/85/04/946958504.db2.gz NBZFCRDMGMXFTQ-ZIAGYGMSSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824910199 946991789 /nfs/dbraw/zinc/99/17/89/946991789.db2.gz WFRRZCBAVRLGBJ-PHIMTYICSA-N -1 3 386.847 3.111 20 0 GGADHM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824910199 946991799 /nfs/dbraw/zinc/99/17/99/946991799.db2.gz WFRRZCBAVRLGBJ-PHIMTYICSA-N -1 3 386.847 3.111 20 0 GGADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824925196 946993707 /nfs/dbraw/zinc/99/37/07/946993707.db2.gz BMPNKMJYZWPIQK-GWCFXTLKSA-N -1 3 386.847 3.016 20 0 GGADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824925196 946993712 /nfs/dbraw/zinc/99/37/12/946993712.db2.gz BMPNKMJYZWPIQK-GWCFXTLKSA-N -1 3 386.847 3.016 20 0 GGADHM C[C@H]1OCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000825021067 947049483 /nfs/dbraw/zinc/04/94/83/947049483.db2.gz OOKSNJFRJHEWGV-UONOGXRCSA-N -1 3 394.435 3.300 20 0 GGADHM C[C@H]1OCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000825021067 947049494 /nfs/dbraw/zinc/04/94/94/947049494.db2.gz OOKSNJFRJHEWGV-UONOGXRCSA-N -1 3 394.435 3.300 20 0 GGADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825060735 947062371 /nfs/dbraw/zinc/06/23/71/947062371.db2.gz RURFMSZTQWIWHF-QWRGUYRKSA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825060735 947062381 /nfs/dbraw/zinc/06/23/81/947062381.db2.gz RURFMSZTQWIWHF-QWRGUYRKSA-N -1 3 388.863 3.262 20 0 GGADHM CCC(CC)n1nc(C)cc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000825114862 947083467 /nfs/dbraw/zinc/08/34/67/947083467.db2.gz QRNUSVWFQYNDCT-CQSZACIVSA-N -1 3 398.467 3.357 20 0 GGADHM CCC(CC)n1nc(C)cc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000825114862 947083474 /nfs/dbraw/zinc/08/34/74/947083474.db2.gz QRNUSVWFQYNDCT-CQSZACIVSA-N -1 3 398.467 3.357 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C(C)C ZINC000825133131 947091363 /nfs/dbraw/zinc/09/13/63/947091363.db2.gz JUARUNYNEGKSLB-CYBMUJFWSA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C(C)C ZINC000825133131 947091371 /nfs/dbraw/zinc/09/13/71/947091371.db2.gz JUARUNYNEGKSLB-CYBMUJFWSA-N -1 3 388.863 3.262 20 0 GGADHM CC[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000825153828 947102906 /nfs/dbraw/zinc/10/29/06/947102906.db2.gz KJWMQURIPTVHAB-CYBMUJFWSA-N -1 3 376.214 3.265 20 0 GGADHM CC[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000825153828 947102921 /nfs/dbraw/zinc/10/29/21/947102921.db2.gz KJWMQURIPTVHAB-CYBMUJFWSA-N -1 3 376.214 3.265 20 0 GGADHM CCCCC[C@@H](CC)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825265848 947136380 /nfs/dbraw/zinc/13/63/80/947136380.db2.gz BREDXWQOFKEPGX-CQSZACIVSA-N -1 3 381.484 3.480 20 0 GGADHM CCCCC[C@@H](CC)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825265848 947136389 /nfs/dbraw/zinc/13/63/89/947136389.db2.gz BREDXWQOFKEPGX-CQSZACIVSA-N -1 3 381.484 3.480 20 0 GGADHM CCCCN(CC)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825282458 947140442 /nfs/dbraw/zinc/14/04/42/947140442.db2.gz SLKMWCZGVJOHIV-UHFFFAOYSA-N -1 3 388.863 3.360 20 0 GGADHM CCCCN(CC)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825282458 947140455 /nfs/dbraw/zinc/14/04/55/947140455.db2.gz SLKMWCZGVJOHIV-UHFFFAOYSA-N -1 3 388.863 3.360 20 0 GGADHM CCCO[C@@H]1CCCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000825338996 947159143 /nfs/dbraw/zinc/15/91/43/947159143.db2.gz LSOOKSVQEDXEPS-CYBMUJFWSA-N -1 3 380.290 3.415 20 0 GGADHM CCCO[C@@H]1CCCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000825338996 947159149 /nfs/dbraw/zinc/15/91/49/947159149.db2.gz LSOOKSVQEDXEPS-CYBMUJFWSA-N -1 3 380.290 3.415 20 0 GGADHM CCCc1c(NC(=O)c2cc(-c3nnn[n-]3)cs2)cnn1-c1ccccc1 ZINC000825348425 947161707 /nfs/dbraw/zinc/16/17/07/947161707.db2.gz KEVUYOVBVZGEMX-UHFFFAOYSA-N -1 3 379.449 3.319 20 0 GGADHM CCCc1c(NC(=O)c2cc(-c3nn[n-]n3)cs2)cnn1-c1ccccc1 ZINC000825348425 947161713 /nfs/dbraw/zinc/16/17/13/947161713.db2.gz KEVUYOVBVZGEMX-UHFFFAOYSA-N -1 3 379.449 3.319 20 0 GGADHM CCN(C(=O)c1ccc(-n2cccc2)nc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379192 947168920 /nfs/dbraw/zinc/16/89/20/947168920.db2.gz BXAYEZVKSJUMES-UHFFFAOYSA-N -1 3 393.838 3.373 20 0 GGADHM CCN(C(=O)c1ccc(-n2cccc2)nc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379192 947168925 /nfs/dbraw/zinc/16/89/25/947168925.db2.gz BXAYEZVKSJUMES-UHFFFAOYSA-N -1 3 393.838 3.373 20 0 GGADHM CCN(Cc1nnc(C2CC2)n1C1CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443796 947191706 /nfs/dbraw/zinc/19/17/06/947191706.db2.gz GHDDZDUMZZVDJV-ZDUSSCGKSA-N -1 3 378.484 3.254 20 0 GGADHM CCN(Cc1nnc(C2CC2)n1C1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443796 947191711 /nfs/dbraw/zinc/19/17/11/947191711.db2.gz GHDDZDUMZZVDJV-ZDUSSCGKSA-N -1 3 378.484 3.254 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@@H]1CCC[C@@H]1C ZINC000825605210 947254349 /nfs/dbraw/zinc/25/43/49/947254349.db2.gz RQOSISLUVDGDJY-GXSJLCMTSA-N -1 3 395.257 3.370 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@@H]1CCC[C@@H]1C ZINC000825605210 947254360 /nfs/dbraw/zinc/25/43/60/947254360.db2.gz RQOSISLUVDGDJY-GXSJLCMTSA-N -1 3 395.257 3.370 20 0 GGADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825648809 947270180 /nfs/dbraw/zinc/27/01/80/947270180.db2.gz DDNUAXWGPCILHL-ZNZDAUKMSA-N -1 3 392.463 3.182 20 0 GGADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825648809 947270192 /nfs/dbraw/zinc/27/01/92/947270192.db2.gz DDNUAXWGPCILHL-ZNZDAUKMSA-N -1 3 392.463 3.182 20 0 GGADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825648860 947271145 /nfs/dbraw/zinc/27/11/45/947271145.db2.gz FCLNBSPKYALMPT-QZTJIDSGSA-N -1 3 395.488 3.030 20 0 GGADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825648860 947271154 /nfs/dbraw/zinc/27/11/54/947271154.db2.gz FCLNBSPKYALMPT-QZTJIDSGSA-N -1 3 395.488 3.030 20 0 GGADHM CCSc1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825674356 947285548 /nfs/dbraw/zinc/28/55/48/947285548.db2.gz KHXLVDJEJHXROS-KRWDZBQOSA-N -1 3 395.488 3.192 20 0 GGADHM CCSc1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825674356 947285562 /nfs/dbraw/zinc/28/55/62/947285562.db2.gz KHXLVDJEJHXROS-KRWDZBQOSA-N -1 3 395.488 3.192 20 0 GGADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cccc(OC)c23)c1-c1nnn[n-]1 ZINC000825687631 947289346 /nfs/dbraw/zinc/28/93/46/947289346.db2.gz KONGHSOBTCNYNL-UHFFFAOYSA-N -1 3 396.476 3.470 20 0 GGADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cccc(OC)c23)c1-c1nn[n-]n1 ZINC000825687631 947289353 /nfs/dbraw/zinc/28/93/53/947289353.db2.gz KONGHSOBTCNYNL-UHFFFAOYSA-N -1 3 396.476 3.470 20 0 GGADHM CCc1cnccc1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825736284 947306686 /nfs/dbraw/zinc/30/66/86/947306686.db2.gz YQXCNPDIRXXCRV-UHFFFAOYSA-N -1 3 391.460 3.124 20 0 GGADHM CCc1cnccc1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825736284 947306693 /nfs/dbraw/zinc/30/66/93/947306693.db2.gz YQXCNPDIRXXCRV-UHFFFAOYSA-N -1 3 391.460 3.124 20 0 GGADHM CCc1oc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1C ZINC000825777572 947326935 /nfs/dbraw/zinc/32/69/35/947326935.db2.gz YMPIIXKNOIMIBD-UHFFFAOYSA-N -1 3 397.826 3.422 20 0 GGADHM CCc1oc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1C ZINC000825777572 947326945 /nfs/dbraw/zinc/32/69/45/947326945.db2.gz YMPIIXKNOIMIBD-UHFFFAOYSA-N -1 3 397.826 3.422 20 0 GGADHM CCn1nc(C)c(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1C ZINC000825806759 947335923 /nfs/dbraw/zinc/33/59/23/947335923.db2.gz CJODBWNACVVJDT-UHFFFAOYSA-N -1 3 397.874 3.151 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)c(Cl)c1 ZINC000825999207 947397732 /nfs/dbraw/zinc/39/77/32/947397732.db2.gz QQFOHSLABQTYAV-UHFFFAOYSA-N -1 3 385.790 3.346 20 0 GGADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)c(Cl)c1 ZINC000825999207 947397746 /nfs/dbraw/zinc/39/77/46/947397746.db2.gz QQFOHSLABQTYAV-UHFFFAOYSA-N -1 3 385.790 3.346 20 0 GGADHM CN1CCc2ccc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cc21 ZINC000826045165 947418935 /nfs/dbraw/zinc/41/89/35/947418935.db2.gz QZFAHFMGJBXRFH-UHFFFAOYSA-N -1 3 389.463 3.056 20 0 GGADHM CN1CCc2ccc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)cc21 ZINC000826045165 947418940 /nfs/dbraw/zinc/41/89/40/947418940.db2.gz QZFAHFMGJBXRFH-UHFFFAOYSA-N -1 3 389.463 3.056 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccc(F)c(C)c1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112192 947435319 /nfs/dbraw/zinc/43/53/19/947435319.db2.gz UPCIFVCAVUWKRC-RBUKOAKNSA-N -1 3 395.438 3.269 20 0 GGADHM COC(=O)[C@H](N[C@H](c1ccc(F)c(C)c1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112192 947435324 /nfs/dbraw/zinc/43/53/24/947435324.db2.gz UPCIFVCAVUWKRC-RBUKOAKNSA-N -1 3 395.438 3.269 20 0 GGADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccccc1C(F)(F)F ZINC000826117718 947438713 /nfs/dbraw/zinc/43/87/13/947438713.db2.gz QJYIAIPGVWIVSP-CYBMUJFWSA-N -1 3 395.366 3.287 20 0 GGADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccccc1C(F)(F)F ZINC000826117718 947438715 /nfs/dbraw/zinc/43/87/15/947438715.db2.gz QJYIAIPGVWIVSP-CYBMUJFWSA-N -1 3 395.366 3.287 20 0 GGADHM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccco1 ZINC000826155481 947489274 /nfs/dbraw/zinc/48/92/74/947489274.db2.gz RKAOBFAYEPKUJL-CYBMUJFWSA-N -1 3 378.230 3.412 20 0 GGADHM COCCCOC1(CSc2nc(C)cc(C)c2-c2nnn[n-]2)CCCC1 ZINC000826156719 947495017 /nfs/dbraw/zinc/49/50/17/947495017.db2.gz QUSXXAOLYZMJDM-UHFFFAOYSA-N -1 3 377.514 3.337 20 0 GGADHM COCCCOC1(CSc2nc(C)cc(C)c2-c2nn[n-]n2)CCCC1 ZINC000826156719 947495026 /nfs/dbraw/zinc/49/50/26/947495026.db2.gz QUSXXAOLYZMJDM-UHFFFAOYSA-N -1 3 377.514 3.337 20 0 GGADHM COCCN(C(=O)[C@H]1CCc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157474 947497540 /nfs/dbraw/zinc/49/75/40/947497540.db2.gz XDSJXYFFIZUXTG-KRWDZBQOSA-N -1 3 397.866 3.230 20 0 GGADHM COCCN(C(=O)[C@H]1CCc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157474 947497547 /nfs/dbraw/zinc/49/75/47/947497547.db2.gz XDSJXYFFIZUXTG-KRWDZBQOSA-N -1 3 397.866 3.230 20 0 GGADHM C[C@@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccc(C(F)(F)F)cc1 ZINC001573603899 947498935 /nfs/dbraw/zinc/49/89/35/947498935.db2.gz LKGFQNAALTVUMB-SNVBAGLBSA-N -1 3 376.342 3.047 20 0 GGADHM C[C@@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccc(C(F)(F)F)cc1 ZINC001573603899 947498940 /nfs/dbraw/zinc/49/89/40/947498940.db2.gz LKGFQNAALTVUMB-SNVBAGLBSA-N -1 3 376.342 3.047 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCOc1ccccc1Cl ZINC000826171412 947536307 /nfs/dbraw/zinc/53/63/07/947536307.db2.gz MSDYMCFEJYMIDO-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCOc1ccccc1Cl ZINC000826171412 947536319 /nfs/dbraw/zinc/53/63/19/947536319.db2.gz MSDYMCFEJYMIDO-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826191710 947584891 /nfs/dbraw/zinc/58/48/91/947584891.db2.gz NOYOKRJYHKZQPF-CYBMUJFWSA-N -1 3 398.442 3.357 20 0 GGADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826191710 947584906 /nfs/dbraw/zinc/58/49/06/947584906.db2.gz NOYOKRJYHKZQPF-CYBMUJFWSA-N -1 3 398.442 3.357 20 0 GGADHM COc1ccc(Cl)cc1NCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826208284 947608093 /nfs/dbraw/zinc/60/80/93/947608093.db2.gz CJWZBZYQNIXXPE-NSHDSACASA-N -1 3 387.827 3.245 20 0 GGADHM COc1ccc(Cl)cc1NCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826208284 947608099 /nfs/dbraw/zinc/60/80/99/947608099.db2.gz CJWZBZYQNIXXPE-NSHDSACASA-N -1 3 387.827 3.245 20 0 GGADHM COc1ccccc1[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826218725 947650373 /nfs/dbraw/zinc/65/03/73/947650373.db2.gz JOPXJEVWJQWHTK-GOSISDBHSA-N -1 3 375.388 3.150 20 0 GGADHM COc1ccccc1[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826218725 947650379 /nfs/dbraw/zinc/65/03/79/947650379.db2.gz JOPXJEVWJQWHTK-GOSISDBHSA-N -1 3 375.388 3.150 20 0 GGADHM C/C(=C(\F)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C1CC1 ZINC001573358216 947658796 /nfs/dbraw/zinc/65/87/96/947658796.db2.gz IADLHDBEKZHCSC-OQLLNIDSSA-N -1 3 387.806 3.298 20 0 GGADHM C/C(=C(\F)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C1CC1 ZINC001573358216 947658798 /nfs/dbraw/zinc/65/87/98/947658798.db2.gz IADLHDBEKZHCSC-OQLLNIDSSA-N -1 3 387.806 3.298 20 0 GGADHM CC(=CC(=O)N(C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC001573359043 947676651 /nfs/dbraw/zinc/67/66/51/947676651.db2.gz VDZAROJWRJTOIQ-HGZMWJMZSA-N -1 3 397.866 3.115 20 0 GGADHM CC(=CC(=O)N(C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC001573359043 947676655 /nfs/dbraw/zinc/67/66/55/947676655.db2.gz VDZAROJWRJTOIQ-HGZMWJMZSA-N -1 3 397.866 3.115 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826237842 947696680 /nfs/dbraw/zinc/69/66/80/947696680.db2.gz NJPZIWJHMOUXDN-DGCLKSJQSA-N -1 3 390.900 3.378 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826237842 947696688 /nfs/dbraw/zinc/69/66/88/947696688.db2.gz NJPZIWJHMOUXDN-DGCLKSJQSA-N -1 3 390.900 3.378 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826237843 947697251 /nfs/dbraw/zinc/69/72/51/947697251.db2.gz NJPZIWJHMOUXDN-WCQYABFASA-N -1 3 390.900 3.378 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826237843 947697259 /nfs/dbraw/zinc/69/72/59/947697259.db2.gz NJPZIWJHMOUXDN-WCQYABFASA-N -1 3 390.900 3.378 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2c(F)cccc2F)N(C)C)c1-c1nnn[n-]1 ZINC000826239905 947709604 /nfs/dbraw/zinc/70/96/04/947709604.db2.gz UPXQFXNIHDSONJ-ZDUSSCGKSA-N -1 3 393.829 3.217 20 0 GGADHM Cc1c(Cl)cnc(NC[C@@H](c2c(F)cccc2F)N(C)C)c1-c1nn[n-]n1 ZINC000826239905 947709614 /nfs/dbraw/zinc/70/96/14/947709614.db2.gz UPXQFXNIHDSONJ-ZDUSSCGKSA-N -1 3 393.829 3.217 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1cccs1 ZINC001573363902 947714960 /nfs/dbraw/zinc/71/49/60/947714960.db2.gz OHKJMOOVLUJEEH-AWPPVZKDSA-N -1 3 380.477 3.490 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1cccs1 ZINC001573363902 947714970 /nfs/dbraw/zinc/71/49/70/947714970.db2.gz OHKJMOOVLUJEEH-AWPPVZKDSA-N -1 3 380.477 3.490 20 0 GGADHM Cc1c(Cl)cnc(NCc2cc(Cl)c3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826240531 947715543 /nfs/dbraw/zinc/71/55/43/947715543.db2.gz YMBWXJJVWGVIAZ-UHFFFAOYSA-N -1 3 393.234 3.260 20 0 GGADHM Cc1c(Cl)cnc(NCc2cc(Cl)c3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826240531 947715553 /nfs/dbraw/zinc/71/55/53/947715553.db2.gz YMBWXJJVWGVIAZ-UHFFFAOYSA-N -1 3 393.234 3.260 20 0 GGADHM Cc1c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cccc1N(C)C ZINC000826241380 947716141 /nfs/dbraw/zinc/71/61/41/947716141.db2.gz BLIADZGFHIJKJM-UHFFFAOYSA-N -1 3 391.479 3.438 20 0 GGADHM Cc1c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cccc1N(C)C ZINC000826241380 947716151 /nfs/dbraw/zinc/71/61/51/947716151.db2.gz BLIADZGFHIJKJM-UHFFFAOYSA-N -1 3 391.479 3.438 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1Cl ZINC001573365259 947729036 /nfs/dbraw/zinc/72/90/36/947729036.db2.gz SXIWRUIXYCXOIP-IYCSXQJISA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1Cl ZINC001573365259 947729044 /nfs/dbraw/zinc/72/90/44/947729044.db2.gz SXIWRUIXYCXOIP-IYCSXQJISA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1Cl ZINC001573365269 947730214 /nfs/dbraw/zinc/73/02/14/947730214.db2.gz SXIWRUIXYCXOIP-RCLKMUNOSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1Cl ZINC001573365269 947730225 /nfs/dbraw/zinc/73/02/25/947730225.db2.gz SXIWRUIXYCXOIP-RCLKMUNOSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1Cl ZINC001573365266 947730641 /nfs/dbraw/zinc/73/06/41/947730641.db2.gz SXIWRUIXYCXOIP-OQRGYWNNSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1Cl ZINC001573365266 947730646 /nfs/dbraw/zinc/73/06/46/947730646.db2.gz SXIWRUIXYCXOIP-OQRGYWNNSA-N -1 3 379.851 3.207 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000826254526 947733712 /nfs/dbraw/zinc/73/37/12/947733712.db2.gz PJCUGOFYYUJTPX-DVUZTRGUSA-N -1 3 385.468 3.009 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nn2cc(-c3cccnc3)nc2s1 ZINC000826254849 947735929 /nfs/dbraw/zinc/73/59/29/947735929.db2.gz CMIBWIJFUSFCRX-UHFFFAOYSA-N -1 3 376.405 3.134 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000826258210 947743334 /nfs/dbraw/zinc/74/33/34/947743334.db2.gz DLJGMSFAEFSAQL-CQSZACIVSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000826258210 947743342 /nfs/dbraw/zinc/74/33/42/947743342.db2.gz DLJGMSFAEFSAQL-CQSZACIVSA-N -1 3 385.431 3.123 20 0 GGADHM CC(=CC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1ccco1 ZINC001573366740 947745317 /nfs/dbraw/zinc/74/53/17/947745317.db2.gz XUUFAXBDWGCDOB-TUPIDYKKSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=CC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1ccco1 ZINC001573366740 947745322 /nfs/dbraw/zinc/74/53/22/947745322.db2.gz XUUFAXBDWGCDOB-TUPIDYKKSA-N -1 3 377.326 3.283 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c(C)o1 ZINC000826260645 947752224 /nfs/dbraw/zinc/75/22/24/947752224.db2.gz YRVVOVUCBNKKLT-UHFFFAOYSA-N -1 3 383.799 3.168 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c(C)o1 ZINC000826260645 947752228 /nfs/dbraw/zinc/75/22/28/947752228.db2.gz YRVVOVUCBNKKLT-UHFFFAOYSA-N -1 3 383.799 3.168 20 0 GGADHM Cc1cc(C(=O)OCCCc2ccsc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261507 947756750 /nfs/dbraw/zinc/75/67/50/947756750.db2.gz IICFFTIPDHKKNA-UHFFFAOYSA-N -1 3 394.460 3.212 20 0 GGADHM Cc1cc(C(=O)OCCCc2ccsc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261507 947756759 /nfs/dbraw/zinc/75/67/59/947756759.db2.gz IICFFTIPDHKKNA-UHFFFAOYSA-N -1 3 394.460 3.212 20 0 GGADHM Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826270411 947783943 /nfs/dbraw/zinc/78/39/43/947783943.db2.gz ZCHITTRUPCOJSM-CYBMUJFWSA-N -1 3 397.508 3.215 20 0 GGADHM Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826270411 947783958 /nfs/dbraw/zinc/78/39/58/947783958.db2.gz ZCHITTRUPCOJSM-CYBMUJFWSA-N -1 3 397.508 3.215 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000826275346 947797636 /nfs/dbraw/zinc/79/76/36/947797636.db2.gz XEGLZMKTJFZSGV-CQSZACIVSA-N -1 3 383.887 3.107 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000826275346 947797645 /nfs/dbraw/zinc/79/76/45/947797645.db2.gz XEGLZMKTJFZSGV-CQSZACIVSA-N -1 3 383.887 3.107 20 0 GGADHM Cc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826282147 947811139 /nfs/dbraw/zinc/81/11/39/947811139.db2.gz ACERWFHZNIVTCF-LJQANCHMSA-N -1 3 391.475 3.053 20 0 GGADHM Cc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826282147 947811148 /nfs/dbraw/zinc/81/11/48/947811148.db2.gz ACERWFHZNIVTCF-LJQANCHMSA-N -1 3 391.475 3.053 20 0 GGADHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826282320 947813287 /nfs/dbraw/zinc/81/32/87/947813287.db2.gz IRNUTAAPITXICM-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826282320 947813293 /nfs/dbraw/zinc/81/32/93/947813293.db2.gz IRNUTAAPITXICM-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826283488 947815781 /nfs/dbraw/zinc/81/57/81/947815781.db2.gz SCISARLRBWPXTL-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826283488 947815788 /nfs/dbraw/zinc/81/57/88/947815788.db2.gz SCISARLRBWPXTL-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccc(/C=C/CC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1 ZINC000826286185 947824316 /nfs/dbraw/zinc/82/43/16/947824316.db2.gz UXPQWGQQVZTMLP-DUXPYHPUSA-N -1 3 399.458 3.285 20 0 GGADHM Cc1ccc(/C=C/CC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1 ZINC000826286185 947824321 /nfs/dbraw/zinc/82/43/21/947824321.db2.gz UXPQWGQQVZTMLP-DUXPYHPUSA-N -1 3 399.458 3.285 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826286317 947828152 /nfs/dbraw/zinc/82/81/52/947828152.db2.gz YQRKMVWKJMHBKQ-APWZRJJASA-N -1 3 389.463 3.403 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826286317 947828156 /nfs/dbraw/zinc/82/81/56/947828156.db2.gz YQRKMVWKJMHBKQ-APWZRJJASA-N -1 3 389.463 3.403 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)CC3 ZINC000826293378 947851343 /nfs/dbraw/zinc/85/13/43/947851343.db2.gz NEWMMGLPQMRZLY-HNNXBMFYSA-N -1 3 386.459 3.252 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)CC3 ZINC000826293378 947851353 /nfs/dbraw/zinc/85/13/53/947851353.db2.gz NEWMMGLPQMRZLY-HNNXBMFYSA-N -1 3 386.459 3.252 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)CC3 ZINC000826293379 947852102 /nfs/dbraw/zinc/85/21/02/947852102.db2.gz NEWMMGLPQMRZLY-OAHLLOKOSA-N -1 3 386.459 3.252 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)CC3 ZINC000826293379 947852108 /nfs/dbraw/zinc/85/21/08/947852108.db2.gz NEWMMGLPQMRZLY-OAHLLOKOSA-N -1 3 386.459 3.252 20 0 GGADHM Cc1cccc(CC(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826297819 947859700 /nfs/dbraw/zinc/85/97/00/947859700.db2.gz UFSJMSBUABGHCF-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1ccnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826309781 947889157 /nfs/dbraw/zinc/88/91/57/947889157.db2.gz BGUIWHOWOZSPKP-QGZVFWFLSA-N -1 3 384.871 3.174 20 0 GGADHM Cc1ccnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1-c1nn[n-]n1 ZINC000826309781 947889167 /nfs/dbraw/zinc/88/91/67/947889167.db2.gz BGUIWHOWOZSPKP-QGZVFWFLSA-N -1 3 384.871 3.174 20 0 GGADHM Cc1nnccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826338300 947972133 /nfs/dbraw/zinc/97/21/33/947972133.db2.gz QLPHCUWZCQXAET-ZDUSSCGKSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1nnccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826338300 947972142 /nfs/dbraw/zinc/97/21/42/947972142.db2.gz QLPHCUWZCQXAET-ZDUSSCGKSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1nnc(N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826336357 947972393 /nfs/dbraw/zinc/97/23/93/947972393.db2.gz VNRLTQMGYAMRCL-ZDUSSCGKSA-N -1 3 389.385 3.286 20 0 GGADHM Cc1nnc(N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2nn[n-]n2)c1C ZINC000826336357 947972398 /nfs/dbraw/zinc/97/23/98/947972398.db2.gz VNRLTQMGYAMRCL-ZDUSSCGKSA-N -1 3 389.385 3.286 20 0 GGADHM C[C@@H](C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656147 947986853 /nfs/dbraw/zinc/98/68/53/947986853.db2.gz CGWHIGYAHOANTI-BMIGLBTASA-N -1 3 391.353 3.096 20 0 GGADHM C[C@@H](C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656147 947986859 /nfs/dbraw/zinc/98/68/59/947986859.db2.gz CGWHIGYAHOANTI-BMIGLBTASA-N -1 3 391.353 3.096 20 0 GGADHM C[C@@H](C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1)[C@H](C)C(C)(C)C ZINC001573664001 948042995 /nfs/dbraw/zinc/04/29/95/948042995.db2.gz QJGBFJDWXZEYTQ-CABCVRRESA-N -1 3 385.512 3.307 20 0 GGADHM C[C@@H](C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1)[C@H](C)C(C)(C)C ZINC001573664001 948043006 /nfs/dbraw/zinc/04/30/06/948043006.db2.gz QJGBFJDWXZEYTQ-CABCVRRESA-N -1 3 385.512 3.307 20 0 GGADHM Clc1ccc(C2=CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000826351254 948097489 /nfs/dbraw/zinc/09/74/89/948097489.db2.gz FOSVFUVIGCFCCP-UHFFFAOYSA-N -1 3 377.839 3.462 20 0 GGADHM Clc1ccc(C2=CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826351254 948097500 /nfs/dbraw/zinc/09/75/00/948097500.db2.gz FOSVFUVIGCFCCP-UHFFFAOYSA-N -1 3 377.839 3.462 20 0 GGADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2cccc3c2OCO3)n1 ZINC000826351156 948097698 /nfs/dbraw/zinc/09/76/98/948097698.db2.gz ZLTIPKQEZMRATB-UHFFFAOYSA-N -1 3 395.810 3.047 20 0 GGADHM Clc1cc(Cl)c2c(c1)CN(c1nc3ccccn3c1-c1nnn[n-]1)CC2 ZINC000826351019 948098455 /nfs/dbraw/zinc/09/84/55/948098455.db2.gz UJCFBZQUSVFBJM-UHFFFAOYSA-N -1 3 386.246 3.384 20 0 GGADHM Clc1cc(Cl)c2c(c1)CN(c1nc3ccccn3c1-c1nn[n-]n1)CC2 ZINC000826351019 948098462 /nfs/dbraw/zinc/09/84/62/948098462.db2.gz UJCFBZQUSVFBJM-UHFFFAOYSA-N -1 3 386.246 3.384 20 0 GGADHM Clc1ccc(C[C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccn2)cc1 ZINC000826352396 948101448 /nfs/dbraw/zinc/10/14/48/948101448.db2.gz ZCAWNPZXARZFJZ-GOSISDBHSA-N -1 3 391.866 3.384 20 0 GGADHM Clc1ccc(N2CC[C@@H](Nc3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000826352422 948102010 /nfs/dbraw/zinc/10/20/10/948102010.db2.gz ZYJYNBCPKOXCAS-CQSZACIVSA-N -1 3 381.871 3.095 20 0 GGADHM Clc1ccc(N2CC[C@@H](Nc3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000826352422 948102017 /nfs/dbraw/zinc/10/20/17/948102017.db2.gz ZYJYNBCPKOXCAS-CQSZACIVSA-N -1 3 381.871 3.095 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC([C@H]4CCOC4)CC3)c2c1 ZINC000826352565 948102174 /nfs/dbraw/zinc/10/21/74/948102174.db2.gz GCEDQJBVQDEYKJ-ZDUSSCGKSA-N -1 3 384.871 3.321 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC([C@H]4CCOC4)CC3)c2c1 ZINC000826352565 948102181 /nfs/dbraw/zinc/10/21/81/948102181.db2.gz GCEDQJBVQDEYKJ-ZDUSSCGKSA-N -1 3 384.871 3.321 20 0 GGADHM Nc1nc(-c2ccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)cc2)cs1 ZINC000826396222 948208382 /nfs/dbraw/zinc/20/83/82/948208382.db2.gz NHGFJZMLACFYKA-UHFFFAOYSA-N -1 3 396.407 3.069 20 0 GGADHM Nc1nc(-c2ccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)cc2)cs1 ZINC000826396222 948208392 /nfs/dbraw/zinc/20/83/92/948208392.db2.gz NHGFJZMLACFYKA-UHFFFAOYSA-N -1 3 396.407 3.069 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826408809 948241846 /nfs/dbraw/zinc/24/18/46/948241846.db2.gz VXUHUFVMUNEYSX-KRWDZBQOSA-N -1 3 397.866 3.483 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826408809 948241858 /nfs/dbraw/zinc/24/18/58/948241858.db2.gz VXUHUFVMUNEYSX-KRWDZBQOSA-N -1 3 397.866 3.483 20 0 GGADHM O=C(CCc1ccc2[nH]ccc2c1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826409201 948243242 /nfs/dbraw/zinc/24/32/42/948243242.db2.gz MWVZVJWFBDIERY-UHFFFAOYSA-N -1 3 391.431 3.293 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cncc(Cl)c1Cl ZINC000826420430 948266231 /nfs/dbraw/zinc/26/62/31/948266231.db2.gz MKVDAZZBADNAEM-UHFFFAOYSA-N -1 3 395.275 3.440 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cncc(Cl)c1Cl ZINC000826420430 948266234 /nfs/dbraw/zinc/26/62/34/948266234.db2.gz MKVDAZZBADNAEM-UHFFFAOYSA-N -1 3 395.275 3.440 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NCc1ccc(F)cc1 ZINC000826421235 948268352 /nfs/dbraw/zinc/26/83/52/948268352.db2.gz YDUXGKWYYMNBKW-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NCc1ccc(F)cc1 ZINC000826421235 948268364 /nfs/dbraw/zinc/26/83/64/948268364.db2.gz YDUXGKWYYMNBKW-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(-n2ncc3ccccc32)cc1 ZINC000826421947 948268522 /nfs/dbraw/zinc/26/85/22/948268522.db2.gz GUTKDFBSGUHONT-UHFFFAOYSA-N -1 3 396.410 3.354 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(-n2ncc3ccccc32)cc1 ZINC000826421947 948268528 /nfs/dbraw/zinc/26/85/28/948268528.db2.gz GUTKDFBSGUHONT-UHFFFAOYSA-N -1 3 396.410 3.354 20 0 GGADHM O=C(N[C@@H]1CC2CCC1CC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429162 948279067 /nfs/dbraw/zinc/27/90/67/948279067.db2.gz VSZGFAWDIHEURJ-ITXXBFQVSA-N -1 3 378.480 3.244 20 0 GGADHM O=C(N[C@@H]1CC2CCC1CC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429162 948279074 /nfs/dbraw/zinc/27/90/74/948279074.db2.gz VSZGFAWDIHEURJ-ITXXBFQVSA-N -1 3 378.480 3.244 20 0 GGADHM O=C(NCC1CCCC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826434163 948288241 /nfs/dbraw/zinc/28/82/41/948288241.db2.gz FAHOJSYTCHXUEK-UHFFFAOYSA-N -1 3 386.847 3.018 20 0 GGADHM O=C(NC[C@@H]1CC=CCC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826434449 948290112 /nfs/dbraw/zinc/29/01/12/948290112.db2.gz NCZHPGCHBYTQNQ-GFCCVEGCSA-N -1 3 398.858 3.184 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cnc(-c2cccnc2)s1 ZINC000826453390 948322522 /nfs/dbraw/zinc/32/25/22/948322522.db2.gz JDYVPAUIGQHCLG-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cnc(-c2cccnc2)s1 ZINC000826453390 948322531 /nfs/dbraw/zinc/32/25/31/948322531.db2.gz JDYVPAUIGQHCLG-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826453191 948323018 /nfs/dbraw/zinc/32/30/18/948323018.db2.gz ABLNRGOHFDGBSC-IBGZPJMESA-N -1 3 388.431 3.113 20 0 GGADHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826453191 948323027 /nfs/dbraw/zinc/32/30/27/948323027.db2.gz ABLNRGOHFDGBSC-IBGZPJMESA-N -1 3 388.431 3.113 20 0 GGADHM O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826454828 948327193 /nfs/dbraw/zinc/32/71/93/948327193.db2.gz MMVRHNBUPBYMJM-UHFFFAOYSA-N -1 3 381.346 3.469 20 0 GGADHM O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826454828 948327200 /nfs/dbraw/zinc/32/72/00/948327200.db2.gz MMVRHNBUPBYMJM-UHFFFAOYSA-N -1 3 381.346 3.469 20 0 GGADHM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826455316 948328528 /nfs/dbraw/zinc/32/85/28/948328528.db2.gz JICUUXVVYVQLEA-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826455316 948328538 /nfs/dbraw/zinc/32/85/38/948328538.db2.gz JICUUXVVYVQLEA-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@@H]1CCCOCC1 ZINC000826455227 948328754 /nfs/dbraw/zinc/32/87/54/948328754.db2.gz FNTLTTCPYOASNG-CQSZACIVSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@@H]1CCCOCC1 ZINC000826455227 948328762 /nfs/dbraw/zinc/32/87/62/948328762.db2.gz FNTLTTCPYOASNG-CQSZACIVSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1ccc(F)cc1 ZINC000826458256 948338606 /nfs/dbraw/zinc/33/86/06/948338606.db2.gz JLSTYCJQGUKCMI-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000826458367 948340387 /nfs/dbraw/zinc/34/03/87/948340387.db2.gz NAWURAFJCFEJNP-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000826458367 948340397 /nfs/dbraw/zinc/34/03/97/948340397.db2.gz NAWURAFJCFEJNP-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1cccc(F)c1 ZINC000826458600 948341814 /nfs/dbraw/zinc/34/18/14/948341814.db2.gz XHYPNZOPZDDAAF-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccn(C(F)F)n1 ZINC000826460428 948345299 /nfs/dbraw/zinc/34/52/99/948345299.db2.gz CFBLPCGTIWVHIH-UHFFFAOYSA-N -1 3 379.396 3.041 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccn(C(F)F)n1 ZINC000826460428 948345305 /nfs/dbraw/zinc/34/53/05/948345305.db2.gz CFBLPCGTIWVHIH-UHFFFAOYSA-N -1 3 379.396 3.041 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccnc(C2CC2)c1 ZINC000826465364 948360420 /nfs/dbraw/zinc/36/04/20/948360420.db2.gz JUWRNRDURUDGKG-UHFFFAOYSA-N -1 3 387.346 3.098 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccnc(C2CC2)c1 ZINC000826465364 948360430 /nfs/dbraw/zinc/36/04/30/948360430.db2.gz JUWRNRDURUDGKG-UHFFFAOYSA-N -1 3 387.346 3.098 20 0 GGADHM O=C(Oc1ccc(-n2ncc3ccccc32)cc1)c1sccc1-c1nnn[n-]1 ZINC000826468437 948366001 /nfs/dbraw/zinc/36/60/01/948366001.db2.gz PYNJZZJWXVEHQM-UHFFFAOYSA-N -1 3 388.412 3.486 20 0 GGADHM O=C(c1ccnc(Oc2ccccc2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474779 948375116 /nfs/dbraw/zinc/37/51/16/948375116.db2.gz FHEZNNQSIXOPMQ-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM O=C(c1ccnc(Oc2ccccc2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474779 948375125 /nfs/dbraw/zinc/37/51/25/948375125.db2.gz FHEZNNQSIXOPMQ-UHFFFAOYSA-N -1 3 384.399 3.257 20 0 GGADHM O[C@H]1CCCC[C@H]1CCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826507028 948425560 /nfs/dbraw/zinc/42/55/60/948425560.db2.gz HPGGJHYRNGSBSS-NHYWBVRUSA-N -1 3 380.290 3.372 20 0 GGADHM O[C@H]1CCCC[C@H]1CCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826507028 948425563 /nfs/dbraw/zinc/42/55/63/948425563.db2.gz HPGGJHYRNGSBSS-NHYWBVRUSA-N -1 3 380.290 3.372 20 0 GGADHM c1cc(-c2nn[n-]n2)ccc1OC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000826514484 948440797 /nfs/dbraw/zinc/44/07/97/948440797.db2.gz SKINHKPVFAYXKV-UHFFFAOYSA-N -1 3 396.520 3.245 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001150926386 948483015 /nfs/dbraw/zinc/48/30/15/948483015.db2.gz PXZLACKOHGWZTH-QGZVFWFLSA-N -1 3 394.479 3.102 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001150926386 948483019 /nfs/dbraw/zinc/48/30/19/948483019.db2.gz PXZLACKOHGWZTH-QGZVFWFLSA-N -1 3 394.479 3.102 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001212163510 948494397 /nfs/dbraw/zinc/49/43/97/948494397.db2.gz YMXVFDULYJMOKN-OLZOCXBDSA-N -1 3 397.932 3.405 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001212163510 948494402 /nfs/dbraw/zinc/49/44/02/948494402.db2.gz YMXVFDULYJMOKN-OLZOCXBDSA-N -1 3 397.932 3.405 20 0 GGADHM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CC=CCC1 ZINC001275484225 948497816 /nfs/dbraw/zinc/49/78/16/948497816.db2.gz YQUMOKORPXYQRX-LJQANCHMSA-N -1 3 387.415 3.013 20 0 GGADHM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CC=CCC1 ZINC001275484225 948497820 /nfs/dbraw/zinc/49/78/20/948497820.db2.gz YQUMOKORPXYQRX-LJQANCHMSA-N -1 3 387.415 3.013 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001301885412 948502668 /nfs/dbraw/zinc/50/26/68/948502668.db2.gz UMYBOEKIHUGVQB-UHFFFAOYSA-N -1 3 380.408 3.466 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001301885412 948502671 /nfs/dbraw/zinc/50/26/71/948502671.db2.gz UMYBOEKIHUGVQB-UHFFFAOYSA-N -1 3 380.408 3.466 20 0 GGADHM CC(C)C[C@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001309205907 948504838 /nfs/dbraw/zinc/50/48/38/948504838.db2.gz CFTWPDDYVHEHIY-CYBMUJFWSA-N -1 3 397.932 3.500 20 0 GGADHM CC(C)C[C@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001309205907 948504843 /nfs/dbraw/zinc/50/48/43/948504843.db2.gz CFTWPDDYVHEHIY-CYBMUJFWSA-N -1 3 397.932 3.500 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)nc1 ZINC001436652212 948518169 /nfs/dbraw/zinc/51/81/69/948518169.db2.gz YIBLMFALRCDYAA-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)nc1 ZINC001436652212 948518176 /nfs/dbraw/zinc/51/81/76/948518176.db2.gz YIBLMFALRCDYAA-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436652144 948518826 /nfs/dbraw/zinc/51/88/26/948518826.db2.gz WNOROWZLWYIDPV-UHFFFAOYSA-N -1 3 397.410 3.142 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436652144 948518831 /nfs/dbraw/zinc/51/88/31/948518831.db2.gz WNOROWZLWYIDPV-UHFFFAOYSA-N -1 3 397.410 3.142 20 0 GGADHM CCn1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1-c1ccccc1 ZINC001460800629 948527806 /nfs/dbraw/zinc/52/78/06/948527806.db2.gz KIWDASBZFWXCMC-UHFFFAOYSA-N -1 3 377.383 3.142 20 0 GGADHM CCn1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1-c1ccccc1 ZINC001460800629 948527813 /nfs/dbraw/zinc/52/78/13/948527813.db2.gz KIWDASBZFWXCMC-UHFFFAOYSA-N -1 3 377.383 3.142 20 0 GGADHM CC(C)C[C@]1(C)CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001463743225 948528059 /nfs/dbraw/zinc/52/80/59/948528059.db2.gz AWNPZLHCSWNWCP-INIZCTEOSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)C[C@]1(C)CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001463743225 948528065 /nfs/dbraw/zinc/52/80/65/948528065.db2.gz AWNPZLHCSWNWCP-INIZCTEOSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001464886020 948531583 /nfs/dbraw/zinc/53/15/83/948531583.db2.gz XPLCBYCOYWNFEN-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001464886020 948531586 /nfs/dbraw/zinc/53/15/86/948531586.db2.gz XPLCBYCOYWNFEN-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM CC(C)CCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001474796643 948534644 /nfs/dbraw/zinc/53/46/44/948534644.db2.gz CBPNLKYMLPHELQ-UHFFFAOYSA-N -1 3 385.921 3.405 20 0 GGADHM CC(C)CCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001474796643 948534647 /nfs/dbraw/zinc/53/46/47/948534647.db2.gz CBPNLKYMLPHELQ-UHFFFAOYSA-N -1 3 385.921 3.405 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cnn1-c1cccc(Cl)c1 ZINC001528093158 948540131 /nfs/dbraw/zinc/54/01/31/948540131.db2.gz BIGGHBBYALZNLL-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cnn1-c1cccc(Cl)c1 ZINC001528093158 948540139 /nfs/dbraw/zinc/54/01/39/948540139.db2.gz BIGGHBBYALZNLL-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)nn1-c1cccc(Cl)c1 ZINC001528506869 948544566 /nfs/dbraw/zinc/54/45/66/948544566.db2.gz RYRDFCRZWWHWHF-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)nn1-c1cccc(Cl)c1 ZINC001528506869 948544572 /nfs/dbraw/zinc/54/45/72/948544572.db2.gz RYRDFCRZWWHWHF-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM COc1c(Br)ccc(F)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001542564642 948552804 /nfs/dbraw/zinc/55/28/04/948552804.db2.gz MLOIUMRZFJZHFY-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM COc1c(Br)ccc(F)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001542564642 948552807 /nfs/dbraw/zinc/55/28/07/948552807.db2.gz MLOIUMRZFJZHFY-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@H](C)C(C)(C)C ZINC001573731725 948595067 /nfs/dbraw/zinc/59/50/67/948595067.db2.gz YBRJZGBHPXKBJE-OLZOCXBDSA-N -1 3 381.484 3.191 20 0 GGADHM C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@H](C)C(C)(C)C ZINC001573731725 948595072 /nfs/dbraw/zinc/59/50/72/948595072.db2.gz YBRJZGBHPXKBJE-OLZOCXBDSA-N -1 3 381.484 3.191 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2ccc(F)cc21 ZINC001573755362 948763148 /nfs/dbraw/zinc/76/31/48/948763148.db2.gz CJLKZWPGBQQSSN-JTQLQIEISA-N -1 3 386.818 3.049 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2ccc(F)cc21 ZINC001573755362 948763158 /nfs/dbraw/zinc/76/31/58/948763158.db2.gz CJLKZWPGBQQSSN-JTQLQIEISA-N -1 3 386.818 3.049 20 0 GGADHM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(-c3nnn[n-]3)c(Cl)n1)C2 ZINC001574417119 948766721 /nfs/dbraw/zinc/76/67/21/948766721.db2.gz LKAHVJAXCSTQKQ-UHFFFAOYSA-N -1 3 382.855 3.237 20 0 GGADHM CC(C)c1coc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574424195 948846113 /nfs/dbraw/zinc/84/61/13/948846113.db2.gz HQEONHSLYOITPW-UHFFFAOYSA-N -1 3 394.391 3.402 20 0 GGADHM CC(C)c1coc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574424195 948846130 /nfs/dbraw/zinc/84/61/30/948846130.db2.gz HQEONHSLYOITPW-UHFFFAOYSA-N -1 3 394.391 3.402 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC001574083382 948880083 /nfs/dbraw/zinc/88/00/83/948880083.db2.gz RLLGZAJDJRBZNS-UYAOXDASSA-N -1 3 391.475 3.464 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC001574083382 948880103 /nfs/dbraw/zinc/88/01/03/948880103.db2.gz RLLGZAJDJRBZNS-UYAOXDASSA-N -1 3 391.475 3.464 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC001574083246 948883564 /nfs/dbraw/zinc/88/35/64/948883564.db2.gz QXUAUCSMZMDVDA-ZMSDIMECSA-N -1 3 383.477 3.004 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC001574083246 948883583 /nfs/dbraw/zinc/88/35/83/948883583.db2.gz QXUAUCSMZMDVDA-ZMSDIMECSA-N -1 3 383.477 3.004 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC001574083381 948883897 /nfs/dbraw/zinc/88/38/97/948883897.db2.gz RLLGZAJDJRBZNS-QUCCMNQESA-N -1 3 391.475 3.464 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC001574083381 948883913 /nfs/dbraw/zinc/88/39/13/948883913.db2.gz RLLGZAJDJRBZNS-QUCCMNQESA-N -1 3 391.475 3.464 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC1CCC(F)(F)CC1 ZINC001574083615 948886569 /nfs/dbraw/zinc/88/65/69/948886569.db2.gz VTZIJZNDUOLXAZ-HNNXBMFYSA-N -1 3 380.395 3.391 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC1CCC(F)(F)CC1 ZINC001574083615 948886589 /nfs/dbraw/zinc/88/65/89/948886589.db2.gz VTZIJZNDUOLXAZ-HNNXBMFYSA-N -1 3 380.395 3.391 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(CF)cc1 ZINC001574083819 948894049 /nfs/dbraw/zinc/89/40/49/948894049.db2.gz YLLMODLPJAWLMV-GOSISDBHSA-N -1 3 384.411 3.483 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(CF)cc1 ZINC001574083819 948894061 /nfs/dbraw/zinc/89/40/61/948894061.db2.gz YLLMODLPJAWLMV-GOSISDBHSA-N -1 3 384.411 3.483 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001574087832 948898665 /nfs/dbraw/zinc/89/86/65/948898665.db2.gz BELGHKDQHGGXRO-UGSOOPFHSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001574087832 948898692 /nfs/dbraw/zinc/89/86/92/948898692.db2.gz BELGHKDQHGGXRO-UGSOOPFHSA-N -1 3 385.859 3.327 20 0 GGADHM CC(C)[C@H]1CCCCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001574088115 948910831 /nfs/dbraw/zinc/91/08/31/948910831.db2.gz AJRZVBPHKNWEHB-GOSISDBHSA-N -1 3 398.511 3.403 20 0 GGADHM CC(C)[C@H]1CCCCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001574088115 948910845 /nfs/dbraw/zinc/91/08/45/948910845.db2.gz AJRZVBPHKNWEHB-GOSISDBHSA-N -1 3 398.511 3.403 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574090638 948990559 /nfs/dbraw/zinc/99/05/59/948990559.db2.gz MSSNDUUMLPNODZ-LAUBAEHRSA-N -1 3 391.479 3.038 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574090638 948990573 /nfs/dbraw/zinc/99/05/73/948990573.db2.gz MSSNDUUMLPNODZ-LAUBAEHRSA-N -1 3 391.479 3.038 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001575502519 949027448 /nfs/dbraw/zinc/02/74/48/949027448.db2.gz HCQRGEGXLWCITF-QMMMGPOBSA-N -1 3 379.317 3.256 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001575502519 949027467 /nfs/dbraw/zinc/02/74/67/949027467.db2.gz HCQRGEGXLWCITF-QMMMGPOBSA-N -1 3 379.317 3.256 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCc1cccc2cccnc21 ZINC001575502645 949027651 /nfs/dbraw/zinc/02/76/51/949027651.db2.gz ICGRSYXRQWIRNJ-CQSZACIVSA-N -1 3 387.447 3.318 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCc1cccc2cccnc21 ZINC001575502645 949027673 /nfs/dbraw/zinc/02/76/73/949027673.db2.gz ICGRSYXRQWIRNJ-CQSZACIVSA-N -1 3 387.447 3.318 20 0 GGADHM C[C@@H](CCc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001574692957 949048181 /nfs/dbraw/zinc/04/81/81/949048181.db2.gz DYBCYGJYOQXOJA-AWEZNQCLSA-N -1 3 379.439 3.380 20 0 GGADHM C[C@@H](CCc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001574692957 949048203 /nfs/dbraw/zinc/04/82/03/949048203.db2.gz DYBCYGJYOQXOJA-AWEZNQCLSA-N -1 3 379.439 3.380 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)COc1ccc(Cl)c(F)c1 ZINC001575503834 949052895 /nfs/dbraw/zinc/05/28/95/949052895.db2.gz MHTMFLPBFPGTIA-NSHDSACASA-N -1 3 389.818 3.258 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)COc1ccc(Cl)c(F)c1 ZINC001575503834 949052914 /nfs/dbraw/zinc/05/29/14/949052914.db2.gz MHTMFLPBFPGTIA-NSHDSACASA-N -1 3 389.818 3.258 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1coc(-c2cccs2)n1 ZINC001575504346 949066363 /nfs/dbraw/zinc/06/63/63/949066363.db2.gz QPPDUXXYKQEDFP-GFCCVEGCSA-N -1 3 394.460 3.345 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1coc(-c2cccs2)n1 ZINC001575504346 949066384 /nfs/dbraw/zinc/06/63/84/949066384.db2.gz QPPDUXXYKQEDFP-GFCCVEGCSA-N -1 3 394.460 3.345 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001575504434 949068444 /nfs/dbraw/zinc/06/84/44/949068444.db2.gz UMJHCWIQKFOJPA-SRVKXCTJSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001575504434 949068460 /nfs/dbraw/zinc/06/84/60/949068460.db2.gz UMJHCWIQKFOJPA-SRVKXCTJSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1coc(-c2cccs2)n1 ZINC001575504353 949069841 /nfs/dbraw/zinc/06/98/41/949069841.db2.gz QPPDUXXYKQEDFP-LBPRGKRZSA-N -1 3 394.460 3.345 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1coc(-c2cccs2)n1 ZINC001575504353 949069860 /nfs/dbraw/zinc/06/98/60/949069860.db2.gz QPPDUXXYKQEDFP-LBPRGKRZSA-N -1 3 394.460 3.345 20 0 GGADHM C[C@H](CCc1cccn1C)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001574694524 949079015 /nfs/dbraw/zinc/07/90/15/949079015.db2.gz QSBCLJXUFAUFKL-LLVKDONJSA-N -1 3 375.274 3.401 20 0 GGADHM C[C@H](CCc1cccn1C)Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001574694524 949079033 /nfs/dbraw/zinc/07/90/33/949079033.db2.gz QSBCLJXUFAUFKL-LLVKDONJSA-N -1 3 375.274 3.401 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001575504552 949079380 /nfs/dbraw/zinc/07/93/80/949079380.db2.gz RVWXFUIADWWZRN-SECBINFHSA-N -1 3 377.221 3.361 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001575504552 949079397 /nfs/dbraw/zinc/07/93/97/949079397.db2.gz RVWXFUIADWWZRN-SECBINFHSA-N -1 3 377.221 3.361 20 0 GGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575504722 949082749 /nfs/dbraw/zinc/08/27/49/949082749.db2.gz WRKGBPCGGTZCGT-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575504722 949082762 /nfs/dbraw/zinc/08/27/62/949082762.db2.gz WRKGBPCGGTZCGT-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575504721 949083158 /nfs/dbraw/zinc/08/31/58/949083158.db2.gz WRKGBPCGGTZCGT-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575504721 949083173 /nfs/dbraw/zinc/08/31/73/949083173.db2.gz WRKGBPCGGTZCGT-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](CCOCc1ccccc1)NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574694540 949083599 /nfs/dbraw/zinc/08/35/99/949083599.db2.gz QYPBBIJXMFLIMA-CYBMUJFWSA-N -1 3 384.415 3.123 20 0 GGADHM C[C@H](CCOCc1ccccc1)NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574694540 949083615 /nfs/dbraw/zinc/08/36/15/949083615.db2.gz QYPBBIJXMFLIMA-CYBMUJFWSA-N -1 3 384.415 3.123 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)Sc1ccncc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC001575504944 949097254 /nfs/dbraw/zinc/09/72/54/949097254.db2.gz ZNGVJXRMFGMFMU-VXGBXAGGSA-N -1 3 394.460 3.366 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)Sc1ccncc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001575504944 949097275 /nfs/dbraw/zinc/09/72/75/949097275.db2.gz ZNGVJXRMFGMFMU-VXGBXAGGSA-N -1 3 394.460 3.366 20 0 GGADHM CC(C)(C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573781210 949102753 /nfs/dbraw/zinc/10/27/53/949102753.db2.gz DNUJSSPZZLFCAK-IAGOWNOFSA-N -1 3 397.429 3.309 20 0 GGADHM CC(C)(C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573781210 949102768 /nfs/dbraw/zinc/10/27/68/949102768.db2.gz DNUJSSPZZLFCAK-IAGOWNOFSA-N -1 3 397.429 3.309 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ncc2cc(Cl)ccn21 ZINC001575509676 949117106 /nfs/dbraw/zinc/11/71/06/949117106.db2.gz DWKXMJUMLZMRDA-NSHDSACASA-N -1 3 381.827 3.001 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ncc2cc(Cl)ccn21 ZINC001575509676 949117115 /nfs/dbraw/zinc/11/71/15/949117115.db2.gz DWKXMJUMLZMRDA-NSHDSACASA-N -1 3 381.827 3.001 20 0 GGADHM CC(C)(C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001573782991 949139084 /nfs/dbraw/zinc/13/90/84/949139084.db2.gz QSKBHYJDMFSXNI-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM CC(C)(C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001573782991 949139095 /nfs/dbraw/zinc/13/90/95/949139095.db2.gz QSKBHYJDMFSXNI-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573786886 949154217 /nfs/dbraw/zinc/15/42/17/949154217.db2.gz BRDJDKNJHJOPSU-DOTOQJQBSA-N -1 3 383.402 3.095 20 0 GGADHM CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573786886 949154238 /nfs/dbraw/zinc/15/42/38/949154238.db2.gz BRDJDKNJHJOPSU-DOTOQJQBSA-N -1 3 383.402 3.095 20 0 GGADHM CC(C)(C(=O)N[C@@H]1CCc2c1cccc2F)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573786910 949155465 /nfs/dbraw/zinc/15/54/65/949155465.db2.gz DZQNSEAUSIYXRN-QGZVFWFLSA-N -1 3 383.402 3.226 20 0 GGADHM CC(C)(C(=O)N[C@@H]1CCc2c1cccc2F)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573786910 949155481 /nfs/dbraw/zinc/15/54/81/949155481.db2.gz DZQNSEAUSIYXRN-QGZVFWFLSA-N -1 3 383.402 3.226 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001574098465 949157707 /nfs/dbraw/zinc/15/77/07/949157707.db2.gz AMZIZXOWIMUKDF-AWEZNQCLSA-N -1 3 392.529 3.006 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574098465 949157711 /nfs/dbraw/zinc/15/77/11/949157711.db2.gz AMZIZXOWIMUKDF-AWEZNQCLSA-N -1 3 392.529 3.006 20 0 GGADHM CC(C)[C@H]1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CC2)C1 ZINC001574098561 949162041 /nfs/dbraw/zinc/16/20/41/949162041.db2.gz DBRZMXOLYRDSPU-KRWDZBQOSA-N -1 3 378.484 3.018 20 0 GGADHM CC(C)[C@H]1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CC2)C1 ZINC001574098561 949162053 /nfs/dbraw/zinc/16/20/53/949162053.db2.gz DBRZMXOLYRDSPU-KRWDZBQOSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(-c2ccncc2)s1 ZINC001575514183 949163812 /nfs/dbraw/zinc/16/38/12/949163812.db2.gz WHCLJUXKMFSKHE-LBPRGKRZSA-N -1 3 391.460 3.218 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(-c2ccncc2)s1 ZINC001575514183 949163832 /nfs/dbraw/zinc/16/38/32/949163832.db2.gz WHCLJUXKMFSKHE-LBPRGKRZSA-N -1 3 391.460 3.218 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574098765 949166720 /nfs/dbraw/zinc/16/67/20/949166720.db2.gz FGDYJFULENWSNL-RXVVDRJESA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574098765 949166736 /nfs/dbraw/zinc/16/67/36/949166736.db2.gz FGDYJFULENWSNL-RXVVDRJESA-N -1 3 375.476 3.485 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001575514548 949167539 /nfs/dbraw/zinc/16/75/39/949167539.db2.gz WVTSVDUUIWLWLQ-CYBMUJFWSA-N -1 3 391.410 3.025 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001575514548 949167555 /nfs/dbraw/zinc/16/75/55/949167555.db2.gz WVTSVDUUIWLWLQ-CYBMUJFWSA-N -1 3 391.410 3.025 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001575514880 949175127 /nfs/dbraw/zinc/17/51/27/949175127.db2.gz ZEYNWPPNVROUFR-LLVKDONJSA-N -1 3 395.854 3.362 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001574099448 949175792 /nfs/dbraw/zinc/17/57/92/949175792.db2.gz KMRSRFBQLFGCNW-GHTZIAJQSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001574099448 949175811 /nfs/dbraw/zinc/17/58/11/949175811.db2.gz KMRSRFBQLFGCNW-GHTZIAJQSA-N -1 3 375.476 3.485 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001575515314 949184816 /nfs/dbraw/zinc/18/48/16/949184816.db2.gz HQDNZXOVTNQCKX-HNNXBMFYSA-N -1 3 387.447 3.244 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001575515314 949184847 /nfs/dbraw/zinc/18/48/47/949184847.db2.gz HQDNZXOVTNQCKX-HNNXBMFYSA-N -1 3 387.447 3.244 20 0 GGADHM CC(C)[C@@H]1N(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC12CCCC2 ZINC001574099918 949187960 /nfs/dbraw/zinc/18/79/60/949187960.db2.gz QNAGBOZADGJTRM-OALUTQOASA-N -1 3 394.523 3.263 20 0 GGADHM CC(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3F)sc2C1 ZINC001574099859 949188173 /nfs/dbraw/zinc/18/81/73/949188173.db2.gz PACYMNMVJVIIBF-SNVBAGLBSA-N -1 3 386.456 3.476 20 0 GGADHM CC(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3F)sc2C1 ZINC001574099859 949188185 /nfs/dbraw/zinc/18/81/85/949188185.db2.gz PACYMNMVJVIIBF-SNVBAGLBSA-N -1 3 386.456 3.476 20 0 GGADHM CC(C)(C(=O)Nc1cc(Cl)cnc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788222 949195283 /nfs/dbraw/zinc/19/52/83/949195283.db2.gz IQHOOBZLNVRLQP-UHFFFAOYSA-N -1 3 377.235 3.485 20 0 GGADHM CC(C)(C(=O)Nc1cc(Cl)cnc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788222 949195294 /nfs/dbraw/zinc/19/52/94/949195294.db2.gz IQHOOBZLNVRLQP-UHFFFAOYSA-N -1 3 377.235 3.485 20 0 GGADHM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001576151282 949213815 /nfs/dbraw/zinc/21/38/15/949213815.db2.gz FUSHUIMIBSNREU-UWVGGRQHSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001576151282 949213834 /nfs/dbraw/zinc/21/38/34/949213834.db2.gz FUSHUIMIBSNREU-UWVGGRQHSA-N -1 3 380.399 3.414 20 0 GGADHM CC(C)(C(=O)OCc1csc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788805 949216560 /nfs/dbraw/zinc/21/65/60/949216560.db2.gz YKPRYNBKEFACLL-UHFFFAOYSA-N -1 3 397.382 3.363 20 0 GGADHM CC(C)(C(=O)OCc1csc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788805 949216575 /nfs/dbraw/zinc/21/65/75/949216575.db2.gz YKPRYNBKEFACLL-UHFFFAOYSA-N -1 3 397.382 3.363 20 0 GGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575517365 949227396 /nfs/dbraw/zinc/22/73/96/949227396.db2.gz VHLICUQPDYRBBS-HNNXBMFYSA-N -1 3 391.479 3.064 20 0 GGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575517365 949227415 /nfs/dbraw/zinc/22/74/15/949227415.db2.gz VHLICUQPDYRBBS-HNNXBMFYSA-N -1 3 391.479 3.064 20 0 GGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575517370 949227860 /nfs/dbraw/zinc/22/78/60/949227860.db2.gz VHLICUQPDYRBBS-OAHLLOKOSA-N -1 3 391.479 3.064 20 0 GGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575517370 949227878 /nfs/dbraw/zinc/22/78/78/949227878.db2.gz VHLICUQPDYRBBS-OAHLLOKOSA-N -1 3 391.479 3.064 20 0 GGADHM CC1(c2ccccc2)CCC(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001575857179 949263452 /nfs/dbraw/zinc/26/34/52/949263452.db2.gz PCNUHVGDPQEWLJ-UHFFFAOYSA-N -1 3 390.491 3.295 20 0 GGADHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001575857192 949264985 /nfs/dbraw/zinc/26/49/85/949264985.db2.gz PGOSRHDHMVLOKL-NNMXDRDESA-N -1 3 391.450 3.300 20 0 GGADHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001575857192 949265011 /nfs/dbraw/zinc/26/50/11/949265011.db2.gz PGOSRHDHMVLOKL-NNMXDRDESA-N -1 3 391.450 3.300 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)[C@H]1C ZINC001576153328 949280827 /nfs/dbraw/zinc/28/08/27/949280827.db2.gz LYFKZGGKRVCCNL-NRUUGDAUSA-N -1 3 378.274 3.184 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)[C@H]1C ZINC001576153328 949280846 /nfs/dbraw/zinc/28/08/46/949280846.db2.gz LYFKZGGKRVCCNL-NRUUGDAUSA-N -1 3 378.274 3.184 20 0 GGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576153866 949307112 /nfs/dbraw/zinc/30/71/12/949307112.db2.gz NDQFMCSSNYCBLP-ADLMAVQZSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576153866 949307133 /nfs/dbraw/zinc/30/71/33/949307133.db2.gz NDQFMCSSNYCBLP-ADLMAVQZSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001576154375 949334966 /nfs/dbraw/zinc/33/49/66/949334966.db2.gz OVODTBOKTOLUBY-ZMZPIMSZSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1)[C@H]1CCC[C@H](C)C1 ZINC001576155186 949385382 /nfs/dbraw/zinc/38/53/82/949385382.db2.gz SYLBADOQTRDWCT-DCAQKATOSA-N -1 3 382.390 3.225 20 0 GGADHM C[C@H]1CCC[C@@H](OC(=O)COc2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001576155828 949416978 /nfs/dbraw/zinc/41/69/78/949416978.db2.gz VHJXYWXCUBSVOH-WDEREUQCSA-N -1 3 395.257 3.130 20 0 GGADHM C[C@H]1CCC[C@@H](OC(=O)COc2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001576155828 949416991 /nfs/dbraw/zinc/41/69/91/949416991.db2.gz VHJXYWXCUBSVOH-WDEREUQCSA-N -1 3 395.257 3.130 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575870584 949488997 /nfs/dbraw/zinc/48/89/97/949488997.db2.gz VSFTVDJCTMSMDG-ZBFHGGJFSA-N -1 3 397.429 3.438 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575870584 949489013 /nfs/dbraw/zinc/48/90/13/949489013.db2.gz VSFTVDJCTMSMDG-ZBFHGGJFSA-N -1 3 397.429 3.438 20 0 GGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001576157736 949490792 /nfs/dbraw/zinc/49/07/92/949490792.db2.gz RUGBZQXNRUJPCT-NEPJUHHUSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001576157736 949490808 /nfs/dbraw/zinc/49/08/08/949490808.db2.gz RUGBZQXNRUJPCT-NEPJUHHUSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575870938 949499040 /nfs/dbraw/zinc/49/90/40/949499040.db2.gz XJPYDULLEWHYEC-XCBAANBCSA-N -1 3 387.487 3.450 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575870938 949499050 /nfs/dbraw/zinc/49/90/50/949499050.db2.gz XJPYDULLEWHYEC-XCBAANBCSA-N -1 3 387.487 3.450 20 0 GGADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001576160084 949524313 /nfs/dbraw/zinc/52/43/13/949524313.db2.gz ZOFOBYJTMRWIKQ-RHSMWYFYSA-N -1 3 391.479 3.040 20 0 GGADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001576160084 949524326 /nfs/dbraw/zinc/52/43/26/949524326.db2.gz ZOFOBYJTMRWIKQ-RHSMWYFYSA-N -1 3 391.479 3.040 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001576163384 949529149 /nfs/dbraw/zinc/52/91/49/949529149.db2.gz ARMBDJHQXCLTMT-MFKMUULPSA-N -1 3 381.278 3.031 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001576163384 949529163 /nfs/dbraw/zinc/52/91/63/949529163.db2.gz ARMBDJHQXCLTMT-MFKMUULPSA-N -1 3 381.278 3.031 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001576163379 949531439 /nfs/dbraw/zinc/53/14/39/949531439.db2.gz ARMBDJHQXCLTMT-GWCFXTLKSA-N -1 3 381.278 3.031 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001576163379 949531443 /nfs/dbraw/zinc/53/14/43/949531443.db2.gz ARMBDJHQXCLTMT-GWCFXTLKSA-N -1 3 381.278 3.031 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)Oc1ccc(Cl)cc1 ZINC001574951004 949549634 /nfs/dbraw/zinc/54/96/34/949549634.db2.gz VYGFRGCLGPVLID-SNVBAGLBSA-N -1 3 390.806 3.248 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)Oc1ccc(Cl)cc1 ZINC001574951004 949549645 /nfs/dbraw/zinc/54/96/45/949549645.db2.gz VYGFRGCLGPVLID-SNVBAGLBSA-N -1 3 390.806 3.248 20 0 GGADHM C[C@H](C1CC1)N(C(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC001574473260 949567597 /nfs/dbraw/zinc/56/75/97/949567597.db2.gz ZLGMGJHPIAKDJI-OAHLLOKOSA-N -1 3 399.458 3.498 20 0 GGADHM C[C@H](C1CC1)N(C(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC001574473260 949567616 /nfs/dbraw/zinc/56/76/16/949567616.db2.gz ZLGMGJHPIAKDJI-OAHLLOKOSA-N -1 3 399.458 3.498 20 0 GGADHM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001574124373 949572704 /nfs/dbraw/zinc/57/27/04/949572704.db2.gz FIGKIQYHVLNRCW-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001574124373 949572723 /nfs/dbraw/zinc/57/27/23/949572723.db2.gz FIGKIQYHVLNRCW-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM CC(C)C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)n1ccnc1 ZINC001574125906 949596909 /nfs/dbraw/zinc/59/69/09/949596909.db2.gz VZKOFHOTKNPKGT-LJQANCHMSA-N -1 3 395.511 3.335 20 0 GGADHM CC(C)(C)[C@H](NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573823789 949834411 /nfs/dbraw/zinc/83/44/11/949834411.db2.gz YPJFXCJVZLTMTL-GOSISDBHSA-N -1 3 378.480 3.496 20 0 GGADHM CC(C)(C)[C@H](NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573823789 949834433 /nfs/dbraw/zinc/83/44/33/949834433.db2.gz YPJFXCJVZLTMTL-GOSISDBHSA-N -1 3 378.480 3.496 20 0 GGADHM CC(C)(C)C1CCC(CC(=O)N2CC(=O)Nc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001573825085 949863081 /nfs/dbraw/zinc/86/30/81/949863081.db2.gz KXAZNYWZKRLJCB-UHFFFAOYSA-N -1 3 396.495 3.394 20 0 GGADHM CC(C)(C)C1CCC(CC(=O)N2CC(=O)Nc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001573825085 949863088 /nfs/dbraw/zinc/86/30/88/949863088.db2.gz KXAZNYWZKRLJCB-UHFFFAOYSA-N -1 3 396.495 3.394 20 0 GGADHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001576177867 949867048 /nfs/dbraw/zinc/86/70/48/949867048.db2.gz CRFHAJHDRAXZCX-BDJLRTHQSA-N -1 3 382.855 3.359 20 0 GGADHM CC(C)(C)[C@@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001573825921 949896127 /nfs/dbraw/zinc/89/61/27/949896127.db2.gz CNABYCQAERNGCT-QGZVFWFLSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)(C)[C@@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001573825921 949896148 /nfs/dbraw/zinc/89/61/48/949896148.db2.gz CNABYCQAERNGCT-QGZVFWFLSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)(C)[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC001573826907 949909907 /nfs/dbraw/zinc/90/99/07/949909907.db2.gz JGTWIPYREUBRSK-INIZCTEOSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)(C)[C@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC001573826907 949909926 /nfs/dbraw/zinc/90/99/26/949909926.db2.gz JGTWIPYREUBRSK-INIZCTEOSA-N -1 3 377.448 3.422 20 0 GGADHM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001573829412 949954911 /nfs/dbraw/zinc/95/49/11/949954911.db2.gz YZOOBGOOTALVRD-JTQLQIEISA-N -1 3 378.274 3.137 20 0 GGADHM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001573829412 949954942 /nfs/dbraw/zinc/95/49/42/949954942.db2.gz YZOOBGOOTALVRD-JTQLQIEISA-N -1 3 378.274 3.137 20 0 GGADHM CC(C)C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001574148066 949970937 /nfs/dbraw/zinc/97/09/37/949970937.db2.gz JXVBYKFGPMOUJC-SIFUEBAJSA-N -1 3 399.495 3.000 20 0 GGADHM CC(C)C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001574148066 949970960 /nfs/dbraw/zinc/97/09/60/949970960.db2.gz JXVBYKFGPMOUJC-SIFUEBAJSA-N -1 3 399.495 3.000 20 0 GGADHM C[C@H]1CCCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576181055 949987336 /nfs/dbraw/zinc/98/73/36/949987336.db2.gz RWLKVCKSJAQKMQ-RRQGHBQHSA-N -1 3 396.474 3.282 20 0 GGADHM C[C@H]1CCCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576181055 949987362 /nfs/dbraw/zinc/98/73/62/949987362.db2.gz RWLKVCKSJAQKMQ-RRQGHBQHSA-N -1 3 396.474 3.282 20 0 GGADHM CCCOc1c(CNC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cccc1OCC ZINC001589680127 950038095 /nfs/dbraw/zinc/03/80/95/950038095.db2.gz MZMYIYJMTRBROX-BATSVXPKSA-N -1 3 377.481 3.376 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCC(C)(F)F ZINC001576182230 950041980 /nfs/dbraw/zinc/04/19/80/950041980.db2.gz YNHDPAFKNABJSL-LBPRGKRZSA-N -1 3 388.426 3.159 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCC(C)(F)F ZINC001576182230 950042001 /nfs/dbraw/zinc/04/20/01/950042001.db2.gz YNHDPAFKNABJSL-LBPRGKRZSA-N -1 3 388.426 3.159 20 0 GGADHM CC(C)(C)C[C@@H](NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)C(F)(F)F ZINC001573843036 950165671 /nfs/dbraw/zinc/16/56/71/950165671.db2.gz PEQCFEQYWMXFMJ-ZIAGYGMSSA-N -1 3 396.417 3.000 20 0 GGADHM CC(C)(C)C[C@@H](NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)C(F)(F)F ZINC001573843036 950165689 /nfs/dbraw/zinc/16/56/89/950165689.db2.gz PEQCFEQYWMXFMJ-ZIAGYGMSSA-N -1 3 396.417 3.000 20 0 GGADHM CC(C)(C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001573843380 950174506 /nfs/dbraw/zinc/17/45/06/950174506.db2.gz WJVGMGNFBJJLAI-MRXNPFEDSA-N -1 3 391.541 3.233 20 0 GGADHM CC(C)(C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001573843380 950174518 /nfs/dbraw/zinc/17/45/18/950174518.db2.gz WJVGMGNFBJJLAI-MRXNPFEDSA-N -1 3 391.541 3.233 20 0 GGADHM CC[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000263004016 950211605 /nfs/dbraw/zinc/21/16/05/950211605.db2.gz NBBXCUJPCMYHFA-FQEVSTJZSA-N -1 3 381.476 3.021 20 0 GGADHM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000263128909 950281603 /nfs/dbraw/zinc/28/16/03/950281603.db2.gz LKLIYMGPVRGQJI-MJGOQNOKSA-N -1 3 376.472 3.284 20 0 GGADHM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000263128908 950282796 /nfs/dbraw/zinc/28/27/96/950282796.db2.gz LKLIYMGPVRGQJI-IEBWSBKVSA-N -1 3 376.472 3.284 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001573853125 950314698 /nfs/dbraw/zinc/31/46/98/950314698.db2.gz LLJNBORAQJHDBK-AWEZNQCLSA-N -1 3 376.436 3.207 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001573853125 950314723 /nfs/dbraw/zinc/31/47/23/950314723.db2.gz LLJNBORAQJHDBK-AWEZNQCLSA-N -1 3 376.436 3.207 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CCN2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001573854279 950339613 /nfs/dbraw/zinc/33/96/13/950339613.db2.gz YXLLTMKPWWBSAJ-UHFFFAOYSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CCN2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001573854279 950339634 /nfs/dbraw/zinc/33/96/34/950339634.db2.gz YXLLTMKPWWBSAJ-UHFFFAOYSA-N -1 3 398.511 3.266 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263310636 950361334 /nfs/dbraw/zinc/36/13/34/950361334.db2.gz HXMMKDPPMDMRMD-LIVBEALHSA-N -1 3 376.472 3.216 20 0 GGADHM CC(C)(C)N(Cc1ccccn1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001573855328 950367618 /nfs/dbraw/zinc/36/76/18/950367618.db2.gz QPRXENNLGCAUEY-UHFFFAOYSA-N -1 3 396.520 3.322 20 0 GGADHM CC(C)(C)N(Cc1ccccn1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001573855328 950367637 /nfs/dbraw/zinc/36/76/37/950367637.db2.gz QPRXENNLGCAUEY-UHFFFAOYSA-N -1 3 396.520 3.322 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000263322860 950368160 /nfs/dbraw/zinc/36/81/60/950368160.db2.gz JXNPFCUAWUNKQI-QLVMHMETSA-N -1 3 398.528 3.265 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000263322857 950368211 /nfs/dbraw/zinc/36/82/11/950368211.db2.gz JXNPFCUAWUNKQI-CEQIKUNHSA-N -1 3 398.528 3.265 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CN3C[C@@H](C)C[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000263365088 950405527 /nfs/dbraw/zinc/40/55/27/950405527.db2.gz SWNHFJCGLJNCQP-RXVVDRJESA-N -1 3 386.536 3.209 20 0 GGADHM CC(C)(C)OC(=O)NCCSc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001573860108 950418660 /nfs/dbraw/zinc/41/86/60/950418660.db2.gz FETXJMPHOQUWQG-UHFFFAOYSA-N -1 3 378.502 3.176 20 0 GGADHM CC(C)(C)OC(=O)NCCSc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001573860108 950418673 /nfs/dbraw/zinc/41/86/73/950418673.db2.gz FETXJMPHOQUWQG-UHFFFAOYSA-N -1 3 378.502 3.176 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263398845 950437601 /nfs/dbraw/zinc/43/76/01/950437601.db2.gz RUAKIDYGXROVAM-DOTOQJQBSA-N -1 3 381.904 3.229 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000263403378 950443451 /nfs/dbraw/zinc/44/34/51/950443451.db2.gz SOIOOMYPLWOIKQ-FQEVSTJZSA-N -1 3 399.491 3.274 20 0 GGADHM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000263415166 950448774 /nfs/dbraw/zinc/44/87/74/950448774.db2.gz VTQYEAMISNWWKY-FQEVSTJZSA-N -1 3 381.476 3.191 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573861588 950450115 /nfs/dbraw/zinc/45/01/15/950450115.db2.gz BVQSYPORFROEBK-HAQNSBGRSA-N -1 3 393.879 3.163 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573861588 950450128 /nfs/dbraw/zinc/45/01/28/950450128.db2.gz BVQSYPORFROEBK-HAQNSBGRSA-N -1 3 393.879 3.163 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573862524 950466518 /nfs/dbraw/zinc/46/65/18/950466518.db2.gz VKVZUWYPQVPYJV-LSDHHAIUSA-N -1 3 383.452 3.051 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573862524 950466526 /nfs/dbraw/zinc/46/65/26/950466526.db2.gz VKVZUWYPQVPYJV-LSDHHAIUSA-N -1 3 383.452 3.051 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001573862649 950472116 /nfs/dbraw/zinc/47/21/16/950472116.db2.gz ZQGYCLHQZFTCLE-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001573862649 950472128 /nfs/dbraw/zinc/47/21/28/950472128.db2.gz ZQGYCLHQZFTCLE-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001573863324 950475809 /nfs/dbraw/zinc/47/58/09/950475809.db2.gz CEKDWKGHHRMMGS-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001573863324 950475825 /nfs/dbraw/zinc/47/58/25/950475825.db2.gz CEKDWKGHHRMMGS-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000263467630 950476555 /nfs/dbraw/zinc/47/65/55/950476555.db2.gz KJXYQNBQSKVDIO-QGZVFWFLSA-N -1 3 381.476 3.191 20 0 GGADHM CC(C)(C)OC(=O)c1ccsc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC001573863494 950481628 /nfs/dbraw/zinc/48/16/28/950481628.db2.gz KEIHUQIRSZLBSY-UHFFFAOYSA-N -1 3 377.451 3.197 20 0 GGADHM CC(C)(C)OC(=O)c1ccsc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC001573863494 950481640 /nfs/dbraw/zinc/48/16/40/950481640.db2.gz KEIHUQIRSZLBSY-UHFFFAOYSA-N -1 3 377.451 3.197 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263483176 950485476 /nfs/dbraw/zinc/48/54/76/950485476.db2.gz ONNKRSMPUHNZLI-KRWDZBQOSA-N -1 3 381.476 3.191 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573863787 950488296 /nfs/dbraw/zinc/48/82/96/950488296.db2.gz QSQPHZSNRVALNS-UHFFFAOYSA-N -1 3 397.410 3.142 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573863787 950488308 /nfs/dbraw/zinc/48/83/08/950488308.db2.gz QSQPHZSNRVALNS-UHFFFAOYSA-N -1 3 397.410 3.142 20 0 GGADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573863784 950488674 /nfs/dbraw/zinc/48/86/74/950488674.db2.gz QMDAGIBNAWEARV-MHORFTMASA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573863784 950488693 /nfs/dbraw/zinc/48/86/93/950488693.db2.gz QMDAGIBNAWEARV-MHORFTMASA-N -1 3 395.507 3.213 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(COC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001573863953 950493182 /nfs/dbraw/zinc/49/31/82/950493182.db2.gz UVLXHSZLTKMDRO-UHFFFAOYSA-N -1 3 398.394 3.318 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(COC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001573863953 950493199 /nfs/dbraw/zinc/49/31/99/950493199.db2.gz UVLXHSZLTKMDRO-UHFFFAOYSA-N -1 3 398.394 3.318 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001573864081 950496687 /nfs/dbraw/zinc/49/66/87/950496687.db2.gz YURWYXQNONUCMB-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001573864081 950496700 /nfs/dbraw/zinc/49/67/00/950496700.db2.gz YURWYXQNONUCMB-UHFFFAOYSA-N -1 3 383.383 3.213 20 0 GGADHM CC(C)C[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001574168355 950511152 /nfs/dbraw/zinc/51/11/52/950511152.db2.gz VBHKQZDCWHWPIR-CQSZACIVSA-N -1 3 392.301 3.209 20 0 GGADHM CC(C)C[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001574168355 950511169 /nfs/dbraw/zinc/51/11/69/950511169.db2.gz VBHKQZDCWHWPIR-CQSZACIVSA-N -1 3 392.301 3.209 20 0 GGADHM CC1(C)C(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1(C)C ZINC001575622270 950635711 /nfs/dbraw/zinc/63/57/11/950635711.db2.gz AYAHFYPOLXTIAJ-UHFFFAOYSA-N -1 3 392.463 3.466 20 0 GGADHM CC1(C)C(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1(C)C ZINC001575622270 950635722 /nfs/dbraw/zinc/63/57/22/950635722.db2.gz AYAHFYPOLXTIAJ-UHFFFAOYSA-N -1 3 392.463 3.466 20 0 GGADHM C[C@@H](OC(=O)c1ccc(N2CCC(C)CC2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC001576213690 950641953 /nfs/dbraw/zinc/64/19/53/950641953.db2.gz GPCBBRUNGGBXSY-OAHLLOKOSA-N -1 3 392.463 3.416 20 0 GGADHM C[C@@H](OC(=O)c1ccc(N2CCC(C)CC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC001576213690 950641966 /nfs/dbraw/zinc/64/19/66/950641966.db2.gz GPCBBRUNGGBXSY-OAHLLOKOSA-N -1 3 392.463 3.416 20 0 GGADHM C[C@H](OC(=O)c1ccc(N2CCC(C)CC2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC001576213689 950642304 /nfs/dbraw/zinc/64/23/04/950642304.db2.gz GPCBBRUNGGBXSY-HNNXBMFYSA-N -1 3 392.463 3.416 20 0 GGADHM C[C@H](OC(=O)c1ccc(N2CCC(C)CC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC001576213689 950642316 /nfs/dbraw/zinc/64/23/16/950642316.db2.gz GPCBBRUNGGBXSY-HNNXBMFYSA-N -1 3 392.463 3.416 20 0 GGADHM C[C@@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC001576213806 950645908 /nfs/dbraw/zinc/64/59/08/950645908.db2.gz IPINGDXTJLJSBY-GFCCVEGCSA-N -1 3 382.855 3.472 20 0 GGADHM C[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC001576213806 950645919 /nfs/dbraw/zinc/64/59/19/950645919.db2.gz IPINGDXTJLJSBY-GFCCVEGCSA-N -1 3 382.855 3.472 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)N2CC(Cc3ccoc3)C2)cc1-c1nnn[n-]1 ZINC001573876345 950671224 /nfs/dbraw/zinc/67/12/24/950671224.db2.gz LXRQILHTXQAYHQ-UHFFFAOYSA-N -1 3 396.451 3.343 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)N2CC(Cc3ccoc3)C2)cc1-c1nn[n-]n1 ZINC001573876345 950671234 /nfs/dbraw/zinc/67/12/34/950671234.db2.gz LXRQILHTXQAYHQ-UHFFFAOYSA-N -1 3 396.451 3.343 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC001576214521 950674446 /nfs/dbraw/zinc/67/44/46/950674446.db2.gz BKTWKDGZNWQYQC-NEPJUHHUSA-N -1 3 382.493 3.265 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC001576214521 950674455 /nfs/dbraw/zinc/67/44/55/950674455.db2.gz BKTWKDGZNWQYQC-NEPJUHHUSA-N -1 3 382.493 3.265 20 0 GGADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001575624745 950674960 /nfs/dbraw/zinc/67/49/60/950674960.db2.gz NREBQVYWZAZEQZ-SFHVURJKSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001575624745 950674969 /nfs/dbraw/zinc/67/49/69/950674969.db2.gz NREBQVYWZAZEQZ-SFHVURJKSA-N -1 3 394.454 3.484 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ncnc3sccc32)cc1-c1nnn[n-]1 ZINC001573876540 950675166 /nfs/dbraw/zinc/67/51/66/950675166.db2.gz PUVUZHHIIFKBLA-UHFFFAOYSA-N -1 3 395.448 3.301 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ncnc3sccc32)cc1-c1nn[n-]n1 ZINC001573876540 950675181 /nfs/dbraw/zinc/67/51/81/950675181.db2.gz PUVUZHHIIFKBLA-UHFFFAOYSA-N -1 3 395.448 3.301 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2csc3cncn32)cc1-c1nnn[n-]1 ZINC001573876535 950676063 /nfs/dbraw/zinc/67/60/63/950676063.db2.gz PQDYZXMUYQUGLU-UHFFFAOYSA-N -1 3 383.437 3.006 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2csc3cncn32)cc1-c1nn[n-]n1 ZINC001573876535 950676074 /nfs/dbraw/zinc/67/60/74/950676074.db2.gz PQDYZXMUYQUGLU-UHFFFAOYSA-N -1 3 383.437 3.006 20 0 GGADHM C[C@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2Cc2ccsc2)C1 ZINC001576214629 950678863 /nfs/dbraw/zinc/67/88/63/950678863.db2.gz RHADGAORHJZHHH-ZDUSSCGKSA-N -1 3 392.492 3.081 20 0 GGADHM C[C@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2Cc2ccsc2)C1 ZINC001576214629 950678875 /nfs/dbraw/zinc/67/88/75/950678875.db2.gz RHADGAORHJZHHH-ZDUSSCGKSA-N -1 3 392.492 3.081 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)C(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC001573876717 950679826 /nfs/dbraw/zinc/67/98/26/950679826.db2.gz SXRUIPLIXZQERK-UHFFFAOYSA-N -1 3 383.383 3.005 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)C(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC001573876717 950679841 /nfs/dbraw/zinc/67/98/41/950679841.db2.gz SXRUIPLIXZQERK-UHFFFAOYSA-N -1 3 383.383 3.005 20 0 GGADHM CC(C)(C)Oc1cccc(NC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001573876780 950683206 /nfs/dbraw/zinc/68/32/06/950683206.db2.gz VZSVRQDTYWHXFL-KRWDZBQOSA-N -1 3 392.463 3.333 20 0 GGADHM CC(C)(C)Oc1cccc(NC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001573876780 950683219 /nfs/dbraw/zinc/68/32/19/950683219.db2.gz VZSVRQDTYWHXFL-KRWDZBQOSA-N -1 3 392.463 3.333 20 0 GGADHM C[C@@H]1CCc2sc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2C1 ZINC001576214787 950684019 /nfs/dbraw/zinc/68/40/19/950684019.db2.gz CDRBSAGRNBCDCM-GFCCVEGCSA-N -1 3 379.489 3.472 20 0 GGADHM C[C@@H]1CCc2sc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2C1 ZINC001576214787 950684026 /nfs/dbraw/zinc/68/40/26/950684026.db2.gz CDRBSAGRNBCDCM-GFCCVEGCSA-N -1 3 379.489 3.472 20 0 GGADHM CC1(C)[C@H](NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1OCc1ccccc1 ZINC001575625663 950689921 /nfs/dbraw/zinc/68/99/21/950689921.db2.gz UKBKYRYFGNVWKJ-QZTJIDSGSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@H](NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1OCc1ccccc1 ZINC001575625663 950689938 /nfs/dbraw/zinc/68/99/38/950689938.db2.gz UKBKYRYFGNVWKJ-QZTJIDSGSA-N -1 3 395.438 3.120 20 0 GGADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001576215822 950708117 /nfs/dbraw/zinc/70/81/17/950708117.db2.gz GJUCNXHLSSYYBU-GTNSWQLSSA-N -1 3 395.467 3.072 20 0 GGADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001576215822 950708136 /nfs/dbraw/zinc/70/81/36/950708136.db2.gz GJUCNXHLSSYYBU-GTNSWQLSSA-N -1 3 395.467 3.072 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CC2)C[C@H]1C ZINC001576215971 950717155 /nfs/dbraw/zinc/71/71/55/950717155.db2.gz XIDZTRVSFYBKLD-ZIAGYGMSSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CC2)C[C@H]1C ZINC001576215971 950717166 /nfs/dbraw/zinc/71/71/66/950717166.db2.gz XIDZTRVSFYBKLD-ZIAGYGMSSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574520258 950720830 /nfs/dbraw/zinc/72/08/30/950720830.db2.gz OKEDDOKZHCVMBA-JTQLQIEISA-N -1 3 375.230 3.021 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574520258 950720838 /nfs/dbraw/zinc/72/08/38/950720838.db2.gz OKEDDOKZHCVMBA-JTQLQIEISA-N -1 3 375.230 3.021 20 0 GGADHM CC(C)(C)c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc(Cl)n1 ZINC001573879585 950726757 /nfs/dbraw/zinc/72/67/57/950726757.db2.gz HGCYTTFPIPZOST-UHFFFAOYSA-N -1 3 388.834 3.282 20 0 GGADHM CC(C)(C)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc(Cl)n1 ZINC001573879585 950726769 /nfs/dbraw/zinc/72/67/69/950726769.db2.gz HGCYTTFPIPZOST-UHFFFAOYSA-N -1 3 388.834 3.282 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216450 950736778 /nfs/dbraw/zinc/73/67/78/950736778.db2.gz JJUBKRGMQOFQLI-WDEREUQCSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216450 950736788 /nfs/dbraw/zinc/73/67/88/950736788.db2.gz JJUBKRGMQOFQLI-WDEREUQCSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216447 950737994 /nfs/dbraw/zinc/73/79/94/950737994.db2.gz JJUBKRGMQOFQLI-MNOVXSKESA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216447 950738015 /nfs/dbraw/zinc/73/80/15/950738015.db2.gz JJUBKRGMQOFQLI-MNOVXSKESA-N -1 3 398.417 3.407 20 0 GGADHM C[C@@H](CC(=O)c1ccco1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001574520589 950739345 /nfs/dbraw/zinc/73/93/45/950739345.db2.gz VEWUAMHAKSAEMN-QMMMGPOBSA-N -1 3 394.218 3.158 20 0 GGADHM C[C@@H](CC(=O)c1ccco1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001574520589 950739359 /nfs/dbraw/zinc/73/93/59/950739359.db2.gz VEWUAMHAKSAEMN-QMMMGPOBSA-N -1 3 394.218 3.158 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574520618 950741507 /nfs/dbraw/zinc/74/15/07/950741507.db2.gz VNIZPXBQDVCGBE-SECBINFHSA-N -1 3 376.214 3.355 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574520618 950741516 /nfs/dbraw/zinc/74/15/16/950741516.db2.gz VNIZPXBQDVCGBE-SECBINFHSA-N -1 3 376.214 3.355 20 0 GGADHM CC(C)(C)c1cc(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)no1 ZINC001573880274 950745152 /nfs/dbraw/zinc/74/51/52/950745152.db2.gz XLUWHCLLVCXIBS-CYBMUJFWSA-N -1 3 394.357 3.186 20 0 GGADHM CC(C)(C)c1cc(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)no1 ZINC001573880274 950745172 /nfs/dbraw/zinc/74/51/72/950745172.db2.gz XLUWHCLLVCXIBS-CYBMUJFWSA-N -1 3 394.357 3.186 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)c(-c3nnn[n-]3)cc2C1 ZINC001576216968 950749420 /nfs/dbraw/zinc/74/94/20/950749420.db2.gz LBWILCORAHSQBQ-LEWSCRJBSA-N -1 3 380.477 3.190 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)c(-c3nn[n-]n3)cc2C1 ZINC001576216968 950749438 /nfs/dbraw/zinc/74/94/38/950749438.db2.gz LBWILCORAHSQBQ-LEWSCRJBSA-N -1 3 380.477 3.190 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)[C@@H]3CCc4cc(F)ccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576217284 950755080 /nfs/dbraw/zinc/75/50/80/950755080.db2.gz LSDQDROSUCRVHF-MEDUHNTESA-N -1 3 392.438 3.194 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)[C@@H]3CCc4cc(F)ccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576217284 950755089 /nfs/dbraw/zinc/75/50/89/950755089.db2.gz LSDQDROSUCRVHF-MEDUHNTESA-N -1 3 392.438 3.194 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)[C@H]3CCc4cc(F)ccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576217283 950756711 /nfs/dbraw/zinc/75/67/11/950756711.db2.gz LSDQDROSUCRVHF-BZNIZROVSA-N -1 3 392.438 3.194 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)[C@H]3CCc4cc(F)ccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576217283 950756731 /nfs/dbraw/zinc/75/67/31/950756731.db2.gz LSDQDROSUCRVHF-BZNIZROVSA-N -1 3 392.438 3.194 20 0 GGADHM CC(C)(C)c1ccc(CCC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001573881953 950759952 /nfs/dbraw/zinc/75/99/52/950759952.db2.gz LGHXLNKZKRFJCO-HXUWFJFHSA-N -1 3 389.503 3.380 20 0 GGADHM CC(C)(C)c1ccc(CCC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001573881953 950759974 /nfs/dbraw/zinc/75/99/74/950759974.db2.gz LGHXLNKZKRFJCO-HXUWFJFHSA-N -1 3 389.503 3.380 20 0 GGADHM CC(C)(C)c1ccc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)nc1 ZINC001573882011 950765257 /nfs/dbraw/zinc/76/52/57/950765257.db2.gz NXGROKCSBYFUDK-UHFFFAOYSA-N -1 3 396.520 3.222 20 0 GGADHM CC(C)(C)c1ccc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)nc1 ZINC001573882011 950765281 /nfs/dbraw/zinc/76/52/81/950765281.db2.gz NXGROKCSBYFUDK-UHFFFAOYSA-N -1 3 396.520 3.222 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC[C@]2(C)OCCc3ccccc32)n1 ZINC001573881981 950765843 /nfs/dbraw/zinc/76/58/43/950765843.db2.gz MJMIHMOOLYDGHI-NRFANRHFSA-N -1 3 378.480 3.459 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC[C@]2(C)OCCc3ccccc32)n1 ZINC001573881981 950765869 /nfs/dbraw/zinc/76/58/69/950765869.db2.gz MJMIHMOOLYDGHI-NRFANRHFSA-N -1 3 378.480 3.459 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001573882059 950767051 /nfs/dbraw/zinc/76/70/51/950767051.db2.gz QAKVRLBWPHSFAA-UHFFFAOYSA-N -1 3 377.448 3.132 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001573882059 950767064 /nfs/dbraw/zinc/76/70/64/950767064.db2.gz QAKVRLBWPHSFAA-UHFFFAOYSA-N -1 3 377.448 3.132 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001573882125 950770470 /nfs/dbraw/zinc/77/04/70/950770470.db2.gz TUXDTJPIMGAYRN-UHFFFAOYSA-N -1 3 382.493 3.498 20 0 GGADHM CC(C)CCC1CCN(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001574183941 950772233 /nfs/dbraw/zinc/77/22/33/950772233.db2.gz CAUVDWXEGFFNGM-LJQANCHMSA-N -1 3 382.512 3.192 20 0 GGADHM CC(C)CCC1CCN(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001574183941 950772245 /nfs/dbraw/zinc/77/22/45/950772245.db2.gz CAUVDWXEGFFNGM-LJQANCHMSA-N -1 3 382.512 3.192 20 0 GGADHM CC(C)(C)c1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001573882312 950776943 /nfs/dbraw/zinc/77/69/43/950776943.db2.gz ZBMBOWYLJIDBKO-KRWDZBQOSA-N -1 3 394.479 3.042 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCC[C@@H](NC2CC2)C(F)(F)F)n1 ZINC001573882307 950778432 /nfs/dbraw/zinc/77/84/32/950778432.db2.gz YVZWFIZDZXSCKY-CYBMUJFWSA-N -1 3 383.422 3.044 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCC[C@@H](NC2CC2)C(F)(F)F)n1 ZINC001573882307 950778452 /nfs/dbraw/zinc/77/84/52/950778452.db2.gz YVZWFIZDZXSCKY-CYBMUJFWSA-N -1 3 383.422 3.044 20 0 GGADHM CC(C)(C)c1csc(NC(=O)c2cccc(-n3ccnn3)c2)c1-c1nnn[n-]1 ZINC001573884092 950780812 /nfs/dbraw/zinc/78/08/12/950780812.db2.gz HSJGCDILZBJVLQ-UHFFFAOYSA-N -1 3 394.464 3.059 20 0 GGADHM CC(C)(C)c1csc(NC(=O)c2cccc(-n3ccnn3)c2)c1-c1nn[n-]n1 ZINC001573884092 950780834 /nfs/dbraw/zinc/78/08/34/950780834.db2.gz HSJGCDILZBJVLQ-UHFFFAOYSA-N -1 3 394.464 3.059 20 0 GGADHM CC(C)(C)c1coc(NC(=O)c2cccc(-c3nnn[n-]3)c2Br)n1 ZINC001573884098 950782606 /nfs/dbraw/zinc/78/26/06/950782606.db2.gz IBQSIGFMUCWSGJ-UHFFFAOYSA-N -1 3 391.229 3.167 20 0 GGADHM CC(C)(C)c1coc(NC(=O)c2cccc(-c3nn[n-]n3)c2Br)n1 ZINC001573884098 950782623 /nfs/dbraw/zinc/78/26/23/950782623.db2.gz IBQSIGFMUCWSGJ-UHFFFAOYSA-N -1 3 391.229 3.167 20 0 GGADHM CC(C)(C)c1csc(NC(=O)NC2(c3ncccn3)CCC2)c1-c1nnn[n-]1 ZINC001573885016 950810171 /nfs/dbraw/zinc/81/01/71/950810171.db2.gz QJKKBAIJYLCOOY-UHFFFAOYSA-N -1 3 398.496 3.217 20 0 GGADHM CC(C)(C)c1csc(NC(=O)NC2(c3ncccn3)CCC2)c1-c1nn[n-]n1 ZINC001573885016 950810191 /nfs/dbraw/zinc/81/01/91/950810191.db2.gz QJKKBAIJYLCOOY-UHFFFAOYSA-N -1 3 398.496 3.217 20 0 GGADHM CC(C)(C)c1csc(NC(=O)NC[C@H]2CCOC2(C)C)c1-c1nnn[n-]1 ZINC001573885023 950810429 /nfs/dbraw/zinc/81/04/29/950810429.db2.gz QNIMXVIBLMGZCM-SNVBAGLBSA-N -1 3 378.502 3.162 20 0 GGADHM CC(C)(C)c1csc(NC(=O)NC[C@H]2CCOC2(C)C)c1-c1nn[n-]n1 ZINC001573885023 950810450 /nfs/dbraw/zinc/81/04/50/950810450.db2.gz QNIMXVIBLMGZCM-SNVBAGLBSA-N -1 3 378.502 3.162 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3[nH]c4ccccc4c3-c3nnn[n-]3)sc2C1 ZINC001576219792 950812721 /nfs/dbraw/zinc/81/27/21/950812721.db2.gz URBKMNVRXKSYHT-VIFPVBQESA-N -1 3 379.449 3.182 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N[C@H]2COC3(CCC3)C2)c1-c1nnn[n-]1 ZINC001573885553 950835139 /nfs/dbraw/zinc/83/51/39/950835139.db2.gz ZCULHIAGHBNZNG-SNVBAGLBSA-N -1 3 376.486 3.059 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N[C@H]2COC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001573885553 950835162 /nfs/dbraw/zinc/83/51/62/950835162.db2.gz ZCULHIAGHBNZNG-SNVBAGLBSA-N -1 3 376.486 3.059 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC001573887429 950842986 /nfs/dbraw/zinc/84/29/86/950842986.db2.gz AOTVFGQAZVXHCM-CQSZACIVSA-N -1 3 399.430 3.208 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC001573887429 950843007 /nfs/dbraw/zinc/84/30/07/950843007.db2.gz AOTVFGQAZVXHCM-CQSZACIVSA-N -1 3 399.430 3.208 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)Cc3cccc(Cl)c3)c(-c3nnn[n-]3)cc2C1 ZINC001576220991 950843944 /nfs/dbraw/zinc/84/39/44/950843944.db2.gz YOUQAAJAKMVNLN-LLVKDONJSA-N -1 3 382.855 3.221 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)Cc3cccc(Cl)c3)c(-c3nn[n-]n3)cc2C1 ZINC001576220991 950843968 /nfs/dbraw/zinc/84/39/68/950843968.db2.gz YOUQAAJAKMVNLN-LLVKDONJSA-N -1 3 382.855 3.221 20 0 GGADHM CC(C)(C)n1c2ccccc2nc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573888584 950871973 /nfs/dbraw/zinc/87/19/73/950871973.db2.gz WNMNDIXYDAITOZ-UHFFFAOYSA-N -1 3 396.842 3.272 20 0 GGADHM CC(C)(C)n1c2ccccc2nc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573888584 950871986 /nfs/dbraw/zinc/87/19/86/950871986.db2.gz WNMNDIXYDAITOZ-UHFFFAOYSA-N -1 3 396.842 3.272 20 0 GGADHM CC(C)(/C=C/Cl)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573893342 950878834 /nfs/dbraw/zinc/87/88/34/950878834.db2.gz APWCDHDQBFYNEU-MDZDMXLPSA-N -1 3 384.827 3.315 20 0 GGADHM CC(C)(/C=C/Cl)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573893342 950878853 /nfs/dbraw/zinc/87/88/53/950878853.db2.gz APWCDHDQBFYNEU-MDZDMXLPSA-N -1 3 384.827 3.315 20 0 GGADHM CC(C)(/C=C\Cl)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573893341 950880733 /nfs/dbraw/zinc/88/07/33/950880733.db2.gz APWCDHDQBFYNEU-KTKRTIGZSA-N -1 3 384.827 3.315 20 0 GGADHM CC(C)(/C=C\Cl)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573893341 950880749 /nfs/dbraw/zinc/88/07/49/950880749.db2.gz APWCDHDQBFYNEU-KTKRTIGZSA-N -1 3 384.827 3.315 20 0 GGADHM CC1(C)CC(NC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CC(C)(C)C1 ZINC001575640564 950896196 /nfs/dbraw/zinc/89/61/96/950896196.db2.gz ISKKSTNYVBDDKH-UHFFFAOYSA-N -1 3 393.495 3.387 20 0 GGADHM CC1(C)CC(NC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CC(C)(C)C1 ZINC001575640564 950896213 /nfs/dbraw/zinc/89/62/13/950896213.db2.gz ISKKSTNYVBDDKH-UHFFFAOYSA-N -1 3 393.495 3.387 20 0 GGADHM CC1(C)C[C@]1(C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001575641017 950909196 /nfs/dbraw/zinc/90/91/96/950909196.db2.gz NRPMWNJRJUWTBH-HXUWFJFHSA-N -1 3 378.436 3.220 20 0 GGADHM CC1(C)C[C@]1(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001575641017 950909208 /nfs/dbraw/zinc/90/92/08/950909208.db2.gz NRPMWNJRJUWTBH-HXUWFJFHSA-N -1 3 378.436 3.220 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ncoc1CCC(F)(F)F ZINC001573894190 950927415 /nfs/dbraw/zinc/92/74/15/950927415.db2.gz QOYBZWCGHGLONJ-UHFFFAOYSA-N -1 3 397.361 3.158 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ncoc1CCC(F)(F)F ZINC001573894190 950927433 /nfs/dbraw/zinc/92/74/33/950927433.db2.gz QOYBZWCGHGLONJ-UHFFFAOYSA-N -1 3 397.361 3.158 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC001575017144 950975697 /nfs/dbraw/zinc/97/56/97/950975697.db2.gz AQQABNDLXVIUPS-NSHDSACASA-N -1 3 386.253 3.163 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC001575017144 950975715 /nfs/dbraw/zinc/97/57/15/950975715.db2.gz AQQABNDLXVIUPS-NSHDSACASA-N -1 3 386.253 3.163 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC001575017552 950999340 /nfs/dbraw/zinc/99/93/40/950999340.db2.gz LESXFWVPDBLPOA-NSHDSACASA-N -1 3 386.253 3.163 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC001575017552 950999366 /nfs/dbraw/zinc/99/93/66/950999366.db2.gz LESXFWVPDBLPOA-NSHDSACASA-N -1 3 386.253 3.163 20 0 GGADHM O=C([O-])C[C@H]1CCCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC001594992849 951049147 /nfs/dbraw/zinc/04/91/47/951049147.db2.gz BZOQNACGFMMYIA-XMSQKQJNSA-N -1 3 392.499 3.347 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C12CCCC2 ZINC001591761726 951203907 /nfs/dbraw/zinc/20/39/07/951203907.db2.gz JTLXCGMHSYLNDM-RYQLBKOJSA-N -1 3 376.497 3.408 20 0 GGADHM CCO[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C12CCCC2 ZINC001591761721 951203939 /nfs/dbraw/zinc/20/39/39/951203939.db2.gz JTLXCGMHSYLNDM-CGTJXYLNSA-N -1 3 376.497 3.408 20 0 GGADHM O=C([O-])CC[C@H]1CCCCN1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC001595012924 951271502 /nfs/dbraw/zinc/27/15/02/951271502.db2.gz WOWPNLKWWADAQI-MRXNPFEDSA-N -1 3 388.489 3.068 20 0 GGADHM O=C([O-])c1c(F)ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1F ZINC000381036674 971732617 /nfs/dbraw/zinc/73/26/17/971732617.db2.gz YXZGRKAAHGKQEG-CYBMUJFWSA-N -1 3 375.375 3.059 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC001595018757 951304542 /nfs/dbraw/zinc/30/45/42/951304542.db2.gz CYAMXMYLBNUHHD-KRWDZBQOSA-N -1 3 395.503 3.360 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000397975681 951578602 /nfs/dbraw/zinc/57/86/02/951578602.db2.gz VNXCMRSANQHCOH-SFHVURJKSA-N -1 3 375.513 3.039 20 0 GGADHM C[C@H](CNc1cc(Br)c(-c2nnn[n-]2)cc1F)c1ccncc1 ZINC001575119625 951990462 /nfs/dbraw/zinc/99/04/62/951990462.db2.gz YWKUECKIRGOIOT-SECBINFHSA-N -1 3 377.221 3.379 20 0 GGADHM C[C@H](CNc1cc(Br)c(-c2nn[n-]n2)cc1F)c1ccncc1 ZINC001575119625 951990464 /nfs/dbraw/zinc/99/04/64/951990464.db2.gz YWKUECKIRGOIOT-SECBINFHSA-N -1 3 377.221 3.379 20 0 GGADHM O=C([O-])[C@@H]1C[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC001595191524 952285673 /nfs/dbraw/zinc/28/56/73/952285673.db2.gz ULDDTDITNPAUGY-RBUKOAKNSA-N -1 3 375.428 3.149 20 0 GGADHM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC001595191524 952285678 /nfs/dbraw/zinc/28/56/78/952285678.db2.gz ULDDTDITNPAUGY-RBUKOAKNSA-N -1 3 375.428 3.149 20 0 GGADHM C[C@H](COc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001575176562 952394995 /nfs/dbraw/zinc/39/49/95/952394995.db2.gz IMPPWHWHZZJBPX-SNVBAGLBSA-N -1 3 390.806 3.248 20 0 GGADHM C[C@H](COc1ccc(F)cc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001575176562 952395004 /nfs/dbraw/zinc/39/50/04/952395004.db2.gz IMPPWHWHZZJBPX-SNVBAGLBSA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575179049 952410259 /nfs/dbraw/zinc/41/02/59/952410259.db2.gz SJVBGCFNLDALSR-LIRRHRJNSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575179049 952410265 /nfs/dbraw/zinc/41/02/65/952410265.db2.gz SJVBGCFNLDALSR-LIRRHRJNSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001575187653 952443483 /nfs/dbraw/zinc/44/34/83/952443483.db2.gz DPWBQKVXWZLUAI-LLVKDONJSA-N -1 3 399.838 3.109 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001575187653 952443487 /nfs/dbraw/zinc/44/34/87/952443487.db2.gz DPWBQKVXWZLUAI-LLVKDONJSA-N -1 3 399.838 3.109 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001575188156 952445952 /nfs/dbraw/zinc/44/59/52/952445952.db2.gz HKFACFZEVUWOCV-OAHLLOKOSA-N -1 3 393.466 3.423 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001575188156 952445958 /nfs/dbraw/zinc/44/59/58/952445958.db2.gz HKFACFZEVUWOCV-OAHLLOKOSA-N -1 3 393.466 3.423 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC001575188829 952449819 /nfs/dbraw/zinc/44/98/19/952449819.db2.gz KISHJMOCJWKFDM-AWEZNQCLSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC001575188829 952449822 /nfs/dbraw/zinc/44/98/22/952449822.db2.gz KISHJMOCJWKFDM-AWEZNQCLSA-N -1 3 385.431 3.141 20 0 GGADHM C[C@H](Cc1ccco1)C(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001575188949 952451417 /nfs/dbraw/zinc/45/14/17/952451417.db2.gz LLMRMIYNNUIWGX-OAHLLOKOSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@H](Cc1ccco1)C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001575188949 952451420 /nfs/dbraw/zinc/45/14/20/952451420.db2.gz LLMRMIYNNUIWGX-OAHLLOKOSA-N -1 3 388.431 3.267 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)c1ccc2c(c1)CCO2 ZINC001575188956 952451846 /nfs/dbraw/zinc/45/18/46/952451846.db2.gz LLMDLXONEBWBTO-KBPBESRZSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ccc2c(c1)CCO2 ZINC001575188956 952451851 /nfs/dbraw/zinc/45/18/51/952451851.db2.gz LLMDLXONEBWBTO-KBPBESRZSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC001575189283 952454192 /nfs/dbraw/zinc/45/41/92/952454192.db2.gz NPDVCJSNFPNOMK-JTQLQIEISA-N -1 3 391.353 3.425 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC001575189283 952454198 /nfs/dbraw/zinc/45/41/98/952454198.db2.gz NPDVCJSNFPNOMK-JTQLQIEISA-N -1 3 391.353 3.425 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCc2ccccc2CC1 ZINC001575190261 952461070 /nfs/dbraw/zinc/46/10/70/952461070.db2.gz RRIMQKWRCQBQIO-MRXNPFEDSA-N -1 3 389.503 3.357 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCc2ccccc2CC1 ZINC001575190261 952461075 /nfs/dbraw/zinc/46/10/75/952461075.db2.gz RRIMQKWRCQBQIO-MRXNPFEDSA-N -1 3 389.503 3.357 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC001575190473 952462998 /nfs/dbraw/zinc/46/29/98/952462998.db2.gz SORKIEDCDVEREK-JTQLQIEISA-N -1 3 385.811 3.066 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC001575190473 952463003 /nfs/dbraw/zinc/46/30/03/952463003.db2.gz SORKIEDCDVEREK-JTQLQIEISA-N -1 3 385.811 3.066 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(Br)c1 ZINC001575190893 952464168 /nfs/dbraw/zinc/46/41/68/952464168.db2.gz UNQIRGDGNCKBRB-LLVKDONJSA-N -1 3 387.237 3.413 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(Br)c1 ZINC001575190893 952464170 /nfs/dbraw/zinc/46/41/70/952464170.db2.gz UNQIRGDGNCKBRB-LLVKDONJSA-N -1 3 387.237 3.413 20 0 GGADHM C[C@@H](Cc1cccc(Br)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575191041 952466495 /nfs/dbraw/zinc/46/64/95/952466495.db2.gz WGLVRFRJXCMDTL-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM C[C@@H](Cc1cccc(Br)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575191041 952466497 /nfs/dbraw/zinc/46/64/97/952466497.db2.gz WGLVRFRJXCMDTL-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM C[C@@H](Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001575200223 952492308 /nfs/dbraw/zinc/49/23/08/952492308.db2.gz AQBHIUPBXSLDBP-ZDUSSCGKSA-N -1 3 390.403 3.464 20 0 GGADHM C[C@@H](Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001575200223 952492310 /nfs/dbraw/zinc/49/23/10/952492310.db2.gz AQBHIUPBXSLDBP-ZDUSSCGKSA-N -1 3 390.403 3.464 20 0 GGADHM C[C@H](Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001575200222 952492888 /nfs/dbraw/zinc/49/28/88/952492888.db2.gz AQBHIUPBXSLDBP-CYBMUJFWSA-N -1 3 390.403 3.464 20 0 GGADHM C[C@H](Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001575200222 952492894 /nfs/dbraw/zinc/49/28/94/952492894.db2.gz AQBHIUPBXSLDBP-CYBMUJFWSA-N -1 3 390.403 3.464 20 0 GGADHM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001575201089 952500329 /nfs/dbraw/zinc/50/03/29/952500329.db2.gz GYMLESIULIQETG-VIFPVBQESA-N -1 3 378.408 3.301 20 0 GGADHM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001575201089 952500331 /nfs/dbraw/zinc/50/03/31/952500331.db2.gz GYMLESIULIQETG-VIFPVBQESA-N -1 3 378.408 3.301 20 0 GGADHM C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001575201135 952500416 /nfs/dbraw/zinc/50/04/16/952500416.db2.gz HFWNPTDIKCLADK-NSHDSACASA-N -1 3 390.900 3.354 20 0 GGADHM C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001575201135 952500418 /nfs/dbraw/zinc/50/04/18/952500418.db2.gz HFWNPTDIKCLADK-NSHDSACASA-N -1 3 390.900 3.354 20 0 GGADHM CC(F)(F)C(C)(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001575215482 952568319 /nfs/dbraw/zinc/56/83/19/952568319.db2.gz UMPZZHVZOPEKCA-UHFFFAOYSA-N -1 3 379.289 3.385 20 0 GGADHM CC(F)(F)C(C)(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001575215482 952568322 /nfs/dbraw/zinc/56/83/22/952568322.db2.gz UMPZZHVZOPEKCA-UHFFFAOYSA-N -1 3 379.289 3.385 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(CNC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)s1 ZINC001602916067 971869751 /nfs/dbraw/zinc/86/97/51/971869751.db2.gz QZVRSDYKORKXHQ-MLZJXEJWSA-N -1 3 381.494 3.205 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)NCc3ccc(C(=O)[O-])cc3)c(C)c2)CC1 ZINC000417717665 953415425 /nfs/dbraw/zinc/41/54/25/953415425.db2.gz BDGTUGDWRTUQPR-UHFFFAOYSA-N -1 3 396.491 3.157 20 0 GGADHM CCC(CC)(CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000424399132 953463790 /nfs/dbraw/zinc/46/37/90/953463790.db2.gz WTPMVSCPNCORHN-UHFFFAOYSA-N -1 3 375.513 3.014 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(=O)[O-] ZINC000424409692 953474568 /nfs/dbraw/zinc/47/45/68/953474568.db2.gz JREYAORYPJMHKO-GOSISDBHSA-N -1 3 375.513 3.039 20 0 GGADHM COC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)C[C@H]1c1ccc(F)cc1F ZINC000424412005 953476594 /nfs/dbraw/zinc/47/65/94/953476594.db2.gz MACYUBKWHPZZDY-DLBZAZTESA-N -1 3 375.371 3.052 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@H](CC(=O)[O-])C3)CC2)cc1 ZINC000532881314 953567879 /nfs/dbraw/zinc/56/78/79/953567879.db2.gz NIKLMBXSXAFGPQ-OAQYLSRUSA-N -1 3 386.536 3.353 20 0 GGADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC1(O)CCC(C(=O)[O-])CC1 ZINC000565101593 953612753 /nfs/dbraw/zinc/61/27/53/953612753.db2.gz QFVZDLGZUWHSGJ-UHFFFAOYSA-N -1 3 385.508 3.235 20 0 GGADHM O=C([O-])[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000574810537 953679814 /nfs/dbraw/zinc/67/98/14/953679814.db2.gz JUDLSKCQXTYYGR-OTWHNJEPSA-N -1 3 384.863 3.246 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000575311665 953683810 /nfs/dbraw/zinc/68/38/10/953683810.db2.gz SDOUAJYSWNTGMD-CFLQYTFWSA-N -1 3 376.472 3.358 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000577750685 953695792 /nfs/dbraw/zinc/69/57/92/953695792.db2.gz RGFRFODYWISCNV-YWMUFLPLSA-N -1 3 398.528 3.265 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589303752 953717501 /nfs/dbraw/zinc/71/75/01/953717501.db2.gz CIHWQTMAHPHOEO-NQSCKRDGSA-N -1 3 392.499 3.346 20 0 GGADHM CCn1c(CN[C@H](CC(C)C)C(=O)[O-])nc(Br)c1Br ZINC001593660323 953792197 /nfs/dbraw/zinc/79/21/97/953792197.db2.gz NQVDBTZTHIVXNV-MRVPVSSYSA-N -1 3 397.111 3.017 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(C)(C(=O)[O-])CC2)N(C)C)cc1 ZINC000646158098 953939189 /nfs/dbraw/zinc/93/91/89/953939189.db2.gz AYVFKYZTSOVQHH-IBGZPJMESA-N -1 3 389.540 3.384 20 0 GGADHM CC1(C(=O)[O-])CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000647375248 953957672 /nfs/dbraw/zinc/95/76/72/953957672.db2.gz VMOFCUVIVZYWCU-FQEVSTJZSA-N -1 3 398.528 3.409 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000650803589 954034197 /nfs/dbraw/zinc/03/41/97/954034197.db2.gz MCLRTHASKRZWFM-IBGZPJMESA-N -1 3 395.908 3.266 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000652083944 954037656 /nfs/dbraw/zinc/03/76/56/954037656.db2.gz SFNSWOXNFXMWQS-NFBKMPQASA-N -1 3 397.519 3.193 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652087110 954043494 /nfs/dbraw/zinc/04/34/94/954043494.db2.gz VPYPNDMDSJFYRD-LLBVYWAGSA-N -1 3 395.503 3.164 20 0 GGADHM CN(C)[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccc(F)c1 ZINC001593694047 954058244 /nfs/dbraw/zinc/05/82/44/954058244.db2.gz WAEPYWFGSLFZLX-QFBILLFUSA-N -1 3 389.471 3.112 20 0 GGADHM Cc1ccc(Cl)c(OC[C@H](O)CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000652469878 954085365 /nfs/dbraw/zinc/08/53/65/954085365.db2.gz HNRDAVUFRQLSAG-NVXWUHKLSA-N -1 3 375.852 3.072 20 0 GGADHM Cc1ccc(Cl)c(OC[C@@H](O)CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000652469879 954085545 /nfs/dbraw/zinc/08/55/45/954085545.db2.gz HNRDAVUFRQLSAG-RDJZCZTQSA-N -1 3 375.852 3.072 20 0 GGADHM CC1CCN([C@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC001589352611 954088083 /nfs/dbraw/zinc/08/80/83/954088083.db2.gz FJXUDEVWSMWIED-LJQANCHMSA-N -1 3 382.464 3.375 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593700408 954107209 /nfs/dbraw/zinc/10/72/09/954107209.db2.gz PLXGMQQYXMSSRJ-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593700427 954108979 /nfs/dbraw/zinc/10/89/79/954108979.db2.gz RCRDKUPLJXFIAW-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2cccnc2C(=O)[O-])c2cccs2)CC1 ZINC001589353829 954111711 /nfs/dbraw/zinc/11/17/11/954111711.db2.gz YQXGNINIOSLOLV-HNNXBMFYSA-N -1 3 388.493 3.436 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000655877173 954262551 /nfs/dbraw/zinc/26/25/51/954262551.db2.gz XRPAOFRRFXYWCS-IRXDYDNUSA-N -1 3 383.920 3.379 20 0 GGADHM C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902122 954283941 /nfs/dbraw/zinc/28/39/41/954283941.db2.gz IUJUKXPCGQUCAH-KKBVYLPWSA-N -1 3 395.931 3.377 20 0 GGADHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCCCC(=O)[O-] ZINC000656232047 954300289 /nfs/dbraw/zinc/30/02/89/954300289.db2.gz UKNMHGQYJUHEPW-GOSISDBHSA-N -1 3 384.480 3.222 20 0 GGADHM CC1CCN([C@H](CNC(=O)NCC2(C(=O)[O-])CCC2)c2cccs2)CC1 ZINC000659392475 954319139 /nfs/dbraw/zinc/31/91/39/954319139.db2.gz GBFWVDBTIYNPHS-OAHLLOKOSA-N -1 3 379.526 3.075 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)NCC2(C(=O)[O-])CCC2)N(C)C)cc1 ZINC000659402256 954326599 /nfs/dbraw/zinc/32/65/99/954326599.db2.gz CCBKZVGGGDOGEE-SFHVURJKSA-N -1 3 375.513 3.042 20 0 GGADHM CSc1ccc([C@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)N(C)C)cc1 ZINC000659405130 954329533 /nfs/dbraw/zinc/32/95/33/954329533.db2.gz UGUZOWAXCLQOOP-SFHVURJKSA-N -1 3 393.553 3.298 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000659416680 954341116 /nfs/dbraw/zinc/34/11/16/954341116.db2.gz WGIFNPTWGCZMGU-WMLDXEAASA-N -1 3 383.920 3.379 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)N2CCCC2)cc1 ZINC000659754558 954357322 /nfs/dbraw/zinc/35/73/22/954357322.db2.gz SIFNDPNBINUXJD-FQEVSTJZSA-N -1 3 382.460 3.025 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221306 954388764 /nfs/dbraw/zinc/38/87/64/954388764.db2.gz FCQOSRAKLOBPDP-MRXNPFEDSA-N -1 3 388.851 3.361 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402086 954438853 /nfs/dbraw/zinc/43/88/53/954438853.db2.gz WYKJTEHIMJLHRQ-KKSFZXQISA-N -1 3 386.517 3.312 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000666551434 954557098 /nfs/dbraw/zinc/55/70/98/954557098.db2.gz CUDQDAOSISCQQO-UHFFFAOYSA-N -1 3 381.476 3.111 20 0 GGADHM CN(C)CCN(CCCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566265 954562615 /nfs/dbraw/zinc/56/26/15/954562615.db2.gz KVHMRHZEHDJTHB-UHFFFAOYSA-N -1 3 383.492 3.091 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 ZINC000676206618 954582653 /nfs/dbraw/zinc/58/26/53/954582653.db2.gz WJARMQFGNYUZEY-UHFFFAOYSA-N -1 3 399.491 3.260 20 0 GGADHM COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000676233823 954585835 /nfs/dbraw/zinc/58/58/35/954585835.db2.gz VLABMEYQAZBWMO-FXAWDEMLSA-N -1 3 388.508 3.326 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NCc2cnc3ccc(Br)cn23)c2ccccc21 ZINC001594899281 954606232 /nfs/dbraw/zinc/60/62/32/954606232.db2.gz CSSYCZOZRDDQRC-CVEARBPZSA-N -1 3 386.249 3.500 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H]3CSc4ccccc4O3)o2)C1 ZINC001594914778 954734134 /nfs/dbraw/zinc/73/41/34/954734134.db2.gz INHTVNWZRMFCOH-ZBFHGGJFSA-N -1 3 388.489 3.224 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H]3CSc4ccccc4O3)o2)C1 ZINC001594914775 954734953 /nfs/dbraw/zinc/73/49/53/954734953.db2.gz INHTVNWZRMFCOH-GDBMZVCRSA-N -1 3 388.489 3.224 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594915683 954747060 /nfs/dbraw/zinc/74/70/60/954747060.db2.gz KIUXUMOMLGOSCM-HZPDHXFCSA-N -1 3 389.521 3.492 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCOc3cccc(Cl)c3)o2)C1 ZINC001594916526 954758386 /nfs/dbraw/zinc/75/83/86/954758386.db2.gz MYEVWRMXBAFNOD-AWEZNQCLSA-N -1 3 378.856 3.403 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCOc3ccc4c(c3)CCC4)o2)C1 ZINC001594916546 954759203 /nfs/dbraw/zinc/75/92/03/954759203.db2.gz NKDOKCSJJJANGG-SFHVURJKSA-N -1 3 384.476 3.238 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN(CCO)[C@@H]3CCCc4ccccc43)o2)C1 ZINC001594917860 954775626 /nfs/dbraw/zinc/77/56/26/954775626.db2.gz QKBATGHETYZNEH-WIYYLYMNSA-N -1 3 398.503 3.453 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCCOc3ccc(F)cc3)o2)C1 ZINC001594919091 954792073 /nfs/dbraw/zinc/79/20/73/954792073.db2.gz ZOTFUIDSXIXGFH-HNNXBMFYSA-N -1 3 376.428 3.278 20 0 GGADHM O=C([O-])[C@@H]1CN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001594953173 954963956 /nfs/dbraw/zinc/96/39/56/954963956.db2.gz CFKLAFXUDRSHOL-MAUKXSAKSA-N -1 3 396.270 3.417 20 0 GGADHM COc1ccc([C@@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N2CCCC2)cc1 ZINC000738091976 955232379 /nfs/dbraw/zinc/23/23/79/955232379.db2.gz CYOXQWQVSJXRMB-HXUWFJFHSA-N -1 3 397.475 3.281 20 0 GGADHM COCCN(CCC(=O)[O-])Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000846272010 955702950 /nfs/dbraw/zinc/70/29/50/955702950.db2.gz SLXJNOKIAQHLIJ-UHFFFAOYSA-N -1 3 379.888 3.125 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)N(C)C)cc1 ZINC001603054513 972122078 /nfs/dbraw/zinc/12/20/78/972122078.db2.gz XNHJVHPUXMCQLM-NRFANRHFSA-N -1 3 398.503 3.381 20 0 GGADHM C[C@@H](COc1ccccc1F)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589076348 955816097 /nfs/dbraw/zinc/81/60/97/955816097.db2.gz LWKQMBYWBANPLF-GJZGRUSLSA-N -1 3 376.428 3.277 20 0 GGADHM Cc1cc(=O)oc2cc(OCCN3Cc4ccccc4[C@@H](C(=O)[O-])C3)ccc12 ZINC000852736542 955846301 /nfs/dbraw/zinc/84/63/01/955846301.db2.gz ZSYFQGNNSHDXJI-IBGZPJMESA-N -1 3 379.412 3.164 20 0 GGADHM O=C([O-])C1CCC(NCc2cccc(F)c2I)CC1 ZINC000871877385 956054896 /nfs/dbraw/zinc/05/48/96/956054896.db2.gz HVYNAPOLZPJUEW-UHFFFAOYSA-N -1 3 377.197 3.163 20 0 GGADHM CC(C)C[C@@H](CNCc1cccc(F)c1I)C(=O)[O-] ZINC000871874139 956055054 /nfs/dbraw/zinc/05/50/54/956055054.db2.gz FTFVMPFXMVQUSC-NSHDSACASA-N -1 3 379.213 3.267 20 0 GGADHM Cc1c(Br)cccc1CN1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873645759 956090963 /nfs/dbraw/zinc/09/09/63/956090963.db2.gz QGEVJOVFCXVSGB-LSDHHAIUSA-N -1 3 392.297 3.181 20 0 GGADHM Cc1c(Br)cccc1CN1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873645758 956091629 /nfs/dbraw/zinc/09/16/29/956091629.db2.gz QGEVJOVFCXVSGB-HUUCEWRRSA-N -1 3 392.297 3.181 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC000874383805 956124150 /nfs/dbraw/zinc/12/41/50/956124150.db2.gz KQOUOZLEMKABTR-HXUWFJFHSA-N -1 3 399.491 3.276 20 0 GGADHM C[C@@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001589122740 956139873 /nfs/dbraw/zinc/13/98/73/956139873.db2.gz GYINJDRCKINANA-RISCZKNCSA-N -1 3 378.881 3.405 20 0 GGADHM C[C@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001589122737 956140245 /nfs/dbraw/zinc/14/02/45/956140245.db2.gz GYINJDRCKINANA-FZMZJTMJSA-N -1 3 378.881 3.405 20 0 GGADHM CCN(C(=O)NCc1ccccc1C(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000874411093 956187350 /nfs/dbraw/zinc/18/73/50/956187350.db2.gz BGZDHVUJGISOGS-LJQANCHMSA-N -1 3 381.476 3.191 20 0 GGADHM CO[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccc(F)cc1 ZINC001593940971 956272800 /nfs/dbraw/zinc/27/28/00/956272800.db2.gz WJEGCNCVSWTYOX-QAPCUYQASA-N -1 3 376.428 3.197 20 0 GGADHM C[C@](O)(CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccccc1Cl ZINC001589146552 956294345 /nfs/dbraw/zinc/29/43/45/956294345.db2.gz FSLXKEVKWWCGFX-VLIAUNLRSA-N -1 3 392.883 3.231 20 0 GGADHM COc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)cc(OC)c1OCC(F)F ZINC000901551995 956337351 /nfs/dbraw/zinc/33/73/51/956337351.db2.gz MLYGTIMGTPQUFE-ZDUSSCGKSA-N -1 3 387.423 3.425 20 0 GGADHM C[C@H](OCCCNC(=O)CNC1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC001589162419 956422830 /nfs/dbraw/zinc/42/28/30/956422830.db2.gz OKAYGNKIFXKZGN-KRWDZBQOSA-N -1 3 376.497 3.038 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Cc3ccccc3C(=O)[O-])c(C)c2)CC1 ZINC000901717670 956437093 /nfs/dbraw/zinc/43/70/93/956437093.db2.gz LOMSADJIRFNADN-UHFFFAOYSA-N -1 3 381.476 3.016 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)c(C)c2)CC1 ZINC000901717859 956437176 /nfs/dbraw/zinc/43/71/76/956437176.db2.gz NHISVCMBJWFDIF-FNORWQNLSA-N -1 3 383.448 3.080 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000901949301 956562001 /nfs/dbraw/zinc/56/20/01/956562001.db2.gz FGWHPFLCSNTESF-MRAWALMUSA-N -1 3 386.414 3.315 20 0 GGADHM COc1ccc([C@@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)N2CCCCC2)cc1 ZINC000901955848 956566181 /nfs/dbraw/zinc/56/61/81/956566181.db2.gz MUQFIMUEAQBYAV-FMAYLGMYSA-N -1 3 398.459 3.343 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(OC)c1 ZINC000901968194 956574688 /nfs/dbraw/zinc/57/46/88/956574688.db2.gz AWVFPHWWWBYUAB-VJIACCKLSA-N -1 3 386.448 3.199 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(OC)c1 ZINC000901970365 956576842 /nfs/dbraw/zinc/57/68/42/956576842.db2.gz ZCLQHQYQVUMNFA-KSEUIEODSA-N -1 3 386.448 3.199 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)c(C)c2)CC1 ZINC000901974527 956580077 /nfs/dbraw/zinc/58/00/77/956580077.db2.gz HEBUQVWETUBXNY-UHFFFAOYSA-N -1 3 387.524 3.212 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](NCc2ncc(C(=O)[O-])s2)CC12CCC2 ZINC000388867772 972196062 /nfs/dbraw/zinc/19/60/62/972196062.db2.gz BFNUPDRHGAMLRD-GFCCVEGCSA-N -1 3 381.498 3.253 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1ccccc1Br)C[C@@H]2C(=O)[O-] ZINC000903415887 956843148 /nfs/dbraw/zinc/84/31/48/956843148.db2.gz MACRGPYORAMICG-WXIIAGJWSA-N -1 3 396.281 3.096 20 0 GGADHM CCC[C@H](NCc1ccc(C(=O)[O-])s1)C(=O)N1CCc2sccc2C1 ZINC000903677055 956857210 /nfs/dbraw/zinc/85/72/10/956857210.db2.gz LMQPGDAGBDLOHQ-AWEZNQCLSA-N -1 3 378.519 3.351 20 0 GGADHM C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000903685493 956865668 /nfs/dbraw/zinc/86/56/68/956865668.db2.gz UPYIHPRCXHNGDX-ZDUSSCGKSA-N -1 3 394.518 3.179 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@H]3C[C@@H](O)c3ccco3)o2)CC1 ZINC000904196410 956923238 /nfs/dbraw/zinc/92/32/38/956923238.db2.gz YPHNTVQBZHLJHF-FUHWJXTLSA-N -1 3 388.464 3.262 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CC[C@@H](COc4ccccc4)C3)o2)CC1 ZINC000904230551 956926352 /nfs/dbraw/zinc/92/63/52/956926352.db2.gz CLHCFFGNEMNTIJ-QGZVFWFLSA-N -1 3 384.476 3.482 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CC[C@H](COc4ccccc4)C3)o2)CC1 ZINC000904230550 956926858 /nfs/dbraw/zinc/92/68/58/956926858.db2.gz CLHCFFGNEMNTIJ-KRWDZBQOSA-N -1 3 384.476 3.482 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)c(C)c2)CC1 ZINC000911100905 957052784 /nfs/dbraw/zinc/05/27/84/957052784.db2.gz YJRKTEZQPDLJCD-UHFFFAOYSA-N -1 3 381.476 3.396 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000923468963 957116793 /nfs/dbraw/zinc/11/67/93/957116793.db2.gz BLQMKLVQWBMZRR-QGZVFWFLSA-N -1 3 390.377 3.038 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000923468962 957117022 /nfs/dbraw/zinc/11/70/22/957117022.db2.gz BLQMKLVQWBMZRR-KRWDZBQOSA-N -1 3 390.377 3.038 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000923472104 957121150 /nfs/dbraw/zinc/12/11/50/957121150.db2.gz ULWACLBVIMRIKB-KRWDZBQOSA-N -1 3 398.385 3.097 20 0 GGADHM CCCCOc1cccc(CNC(=O)CN2CCC[C@](CC)(C(=O)[O-])C2)c1 ZINC000923472645 957123949 /nfs/dbraw/zinc/12/39/49/957123949.db2.gz WPTIKXMWEBXXDK-NRFANRHFSA-N -1 3 376.497 3.059 20 0 GGADHM COC(=O)c1cccc(-c2nc(CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cs2)c1 ZINC000923528148 957125832 /nfs/dbraw/zinc/12/58/32/957125832.db2.gz CDZWCGGUHJSSOF-DLBZAZTESA-N -1 3 386.473 3.139 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001121810118 957206931 /nfs/dbraw/zinc/20/69/31/957206931.db2.gz QYQPJGUVWJKMHZ-SFTDATJTSA-N -1 3 395.503 3.245 20 0 GGADHM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001574769195 957748529 /nfs/dbraw/zinc/74/85/29/957748529.db2.gz LCQNCPCPZBJXGU-MXEMCNAFSA-N -1 3 396.462 3.021 20 0 GGADHM C[C@@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)N(C)Cc1ccccc1 ZINC000390553866 972293263 /nfs/dbraw/zinc/29/32/63/972293263.db2.gz PSJZPACDHGTPBJ-LBPRGKRZSA-N -1 3 377.391 3.305 20 0 GGADHM CCCN(C(=O)NC[C@H](CC)C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001339801292 957877797 /nfs/dbraw/zinc/87/77/97/957877797.db2.gz DOFJEZXXZPRPCP-RBUKOAKNSA-N -1 3 375.513 3.183 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001339824148 957889375 /nfs/dbraw/zinc/88/93/75/957889375.db2.gz YYWWAMHDFMQHQN-QZTJIDSGSA-N -1 3 387.505 3.135 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccc21 ZINC001339945302 957911035 /nfs/dbraw/zinc/91/10/35/957911035.db2.gz JJVUXTYATMENPO-LEWJYISDSA-N -1 3 393.487 3.217 20 0 GGADHM CN(C)C[C@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC001340585655 957941047 /nfs/dbraw/zinc/94/10/47/957941047.db2.gz QAMMLDIRYFIFRI-OTWHNJEPSA-N -1 3 385.439 3.041 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001341241896 957954193 /nfs/dbraw/zinc/95/41/93/957954193.db2.gz ORWDJIBIQMLHPB-DVMWJLJYSA-N -1 3 393.487 3.119 20 0 GGADHM CC(C)(CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])N1CCc2ccccc2C1 ZINC001341244414 957957464 /nfs/dbraw/zinc/95/74/64/957957464.db2.gz OZARLOXPWWRUHP-LJQANCHMSA-N -1 3 387.524 3.252 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001343133105 958032370 /nfs/dbraw/zinc/03/23/70/958032370.db2.gz HUEBEZMMKKUENJ-UXHICEINSA-N -1 3 387.524 3.328 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc(N2CCN(C(C)C)CC2)c1 ZINC001594315065 958059004 /nfs/dbraw/zinc/05/90/04/958059004.db2.gz VFQFGIJUXCEGHO-SFHVURJKSA-N -1 3 375.513 3.211 20 0 GGADHM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc(N2CCN(C(C)C)CC2)c1 ZINC001594315064 958059269 /nfs/dbraw/zinc/05/92/69/958059269.db2.gz VFQFGIJUXCEGHO-GOSISDBHSA-N -1 3 375.513 3.211 20 0 GGADHM C[C@H](CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)N(C)Cc1ccccc1 ZINC001357173236 958188580 /nfs/dbraw/zinc/18/85/80/958188580.db2.gz OASGJBNLUZTJOZ-UIAACRFSSA-N -1 3 381.476 3.119 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594080379 958256605 /nfs/dbraw/zinc/25/66/05/958256605.db2.gz GHNWEYSPBORGAN-LJQANCHMSA-N -1 3 385.464 3.137 20 0 GGADHM COc1ccc([C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N2CCCC2)cc1 ZINC001594081313 958268800 /nfs/dbraw/zinc/26/88/00/958268800.db2.gz ZZWXUTQGGAQRRX-FQEVSTJZSA-N -1 3 397.475 3.281 20 0 GGADHM COc1ccc(O[C@H](C)CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594107305 958479386 /nfs/dbraw/zinc/47/93/86/958479386.db2.gz HVLBWWGMJAEDSA-HZPDHXFCSA-N -1 3 388.464 3.146 20 0 GGADHM COc1ccc(OC)c([C@@H](O)CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001594107897 958490707 /nfs/dbraw/zinc/49/07/07/958490707.db2.gz NPPNUOSSLSKMQT-FQEVSTJZSA-N -1 3 385.460 3.315 20 0 GGADHM COc1ccc(Oc2ccc(CN[C@H]3CCCCN(CC(=O)[O-])C3=O)cc2)cc1 ZINC001594111415 958509863 /nfs/dbraw/zinc/50/98/63/958509863.db2.gz ZIMVHAJGPRWABM-FQEVSTJZSA-N -1 3 398.459 3.043 20 0 GGADHM Cc1ccc(OC(F)F)c(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001594374840 958579185 /nfs/dbraw/zinc/57/91/85/958579185.db2.gz RYSHJVRVTRANFC-ZFWWWQNUSA-N -1 3 379.407 3.020 20 0 GGADHM C/C(=C\c1ccccc1C(F)(F)F)CN[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588487952 958629403 /nfs/dbraw/zinc/62/94/03/958629403.db2.gz MTKHLCAILIQPHF-ISBHARSQSA-N -1 3 384.398 3.164 20 0 GGADHM C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588487958 958629690 /nfs/dbraw/zinc/62/96/90/958629690.db2.gz MTKHLCAILIQPHF-QSOAKEGCSA-N -1 3 384.398 3.164 20 0 GGADHM COc1ccccc1[C@@H](C)N(C)C(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594140183 958730588 /nfs/dbraw/zinc/73/05/88/958730588.db2.gz COVLJOJLYXZYKY-LSTHTHJFSA-N -1 3 396.487 3.015 20 0 GGADHM CC(=O)Nc1cc(Br)ccc1CNCc1ccccc1C(=O)[O-] ZINC001588515052 958791356 /nfs/dbraw/zinc/79/13/56/958791356.db2.gz ARMLQIKXZBUCJR-UHFFFAOYSA-N -1 3 377.238 3.396 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)CCCC(=O)[O-] ZINC001588557978 959075717 /nfs/dbraw/zinc/07/57/17/959075717.db2.gz MLERGIUNVDFPLC-ZDUSSCGKSA-N -1 3 389.477 3.124 20 0 GGADHM C[C@](CNCc1nc(C(F)(F)F)n2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC001573600827 959441284 /nfs/dbraw/zinc/44/12/84/959441284.db2.gz BYXCIMFERVODKY-GOSISDBHSA-N -1 3 381.398 3.370 20 0 GGADHM C[C@](NCc1c[nH]c(C(=O)OCc2ccccc2)c1)(C(=O)[O-])c1ccccc1 ZINC001573631685 959560378 /nfs/dbraw/zinc/56/03/78/959560378.db2.gz WSJRHAKKLNXPJU-JOCHJYFZSA-N -1 3 378.428 3.461 20 0 GGADHM CC(C)([C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001588625292 959569402 /nfs/dbraw/zinc/56/94/02/959569402.db2.gz JEGAAONNEBJDGG-CKEIUWERSA-N -1 3 380.435 3.107 20 0 GGADHM Cc1c(Br)cncc1CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594252872 959627755 /nfs/dbraw/zinc/62/77/55/959627755.db2.gz HYTHTCKWZZWULM-JKSUJKDBSA-N -1 3 375.266 3.453 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001574232198 960414207 /nfs/dbraw/zinc/41/42/07/960414207.db2.gz RQAFPIFLDPNEGQ-UHFFFAOYSA-N -1 3 385.464 3.298 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2cccnc2C(=O)[O-])c2ccccc2)CC1 ZINC001573736764 960447380 /nfs/dbraw/zinc/44/73/80/960447380.db2.gz ZDPJYJMUBZRBFN-SFHVURJKSA-N -1 3 382.464 3.375 20 0 GGADHM CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001588668119 960476200 /nfs/dbraw/zinc/47/62/00/960476200.db2.gz XEOQNQSBODOPTR-BTYIYWSLSA-N -1 3 392.496 3.134 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748109 960515154 /nfs/dbraw/zinc/51/51/54/960515154.db2.gz HRMTXLGFNKHERC-UZLBHIALSA-N -1 3 381.476 3.346 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H](N2CCC(C)(C(=O)[O-])CC2)[C@H](O)c2ccccc21 ZINC001588675857 960543984 /nfs/dbraw/zinc/54/39/84/960543984.db2.gz DITHZDPQFQUERU-IAGOWNOFSA-N -1 3 390.480 3.030 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2OCC(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001231789114 960621028 /nfs/dbraw/zinc/62/10/28/960621028.db2.gz JVZYYTJWJQRCIH-RDJZCZTQSA-N -1 3 392.496 3.133 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CC[C@H]21 ZINC001238234893 960632461 /nfs/dbraw/zinc/63/24/61/960632461.db2.gz ZEMCNFIQOOPQIH-RHSMWYFYSA-N -1 3 378.444 3.355 20 0 GGADHM CC[C@@H](C)N[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccco1 ZINC001573776106 960681594 /nfs/dbraw/zinc/68/15/94/960681594.db2.gz HLXTTWPOGGDSDR-LULLPPNCSA-N -1 3 399.491 3.219 20 0 GGADHM CCC(CC)(CNCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001573790485 960749745 /nfs/dbraw/zinc/74/97/45/960749745.db2.gz ZFTJKBZTNXWKJE-UHFFFAOYSA-N -1 3 397.541 3.417 20 0 GGADHM CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000236862283 960779273 /nfs/dbraw/zinc/77/92/73/960779273.db2.gz TZVAIFPLMHFFME-UHFFFAOYSA-N -1 3 390.933 3.027 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(CCC2(C(=O)[O-])CCC2)CC[C@H]1C(F)(F)F ZINC001588707387 960868623 /nfs/dbraw/zinc/86/86/23/960868623.db2.gz CYALAWREDGTONB-CHWSQXEVSA-N -1 3 394.434 3.409 20 0 GGADHM CCn1cc(Cl)cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263629719 960876032 /nfs/dbraw/zinc/87/60/32/960876032.db2.gz MBVNJDXMCPPGIP-HXUWFJFHSA-N -1 3 389.883 3.011 20 0 GGADHM Cn1ccc2ccc(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cc21 ZINC001263629527 960876513 /nfs/dbraw/zinc/87/65/13/960876513.db2.gz GCRCWSPHIGDPML-HSZRJFAPSA-N -1 3 391.471 3.028 20 0 GGADHM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001574334245 960906152 /nfs/dbraw/zinc/90/61/52/960906152.db2.gz XYDCFFNRRGRPEK-HTAPYJJXSA-N -1 3 396.491 3.078 20 0 GGADHM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001574334248 960906207 /nfs/dbraw/zinc/90/62/07/960906207.db2.gz XYDCFFNRRGRPEK-VGSWGCGISA-N -1 3 396.491 3.078 20 0 GGADHM CCCN(C)[C@H](CNC(=O)C1(CC(=O)[O-])CCOCC1)c1ccc(Cl)cc1 ZINC001573849634 961133522 /nfs/dbraw/zinc/13/35/22/961133522.db2.gz ZHSHNPIXZRAQTD-QGZVFWFLSA-N -1 3 396.915 3.111 20 0 GGADHM O=C([O-])Cc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000243196918 961177781 /nfs/dbraw/zinc/17/77/81/961177781.db2.gz KCRDYMAQRGSRBN-UHFFFAOYSA-N -1 3 383.517 3.265 20 0 GGADHM CCN(C(=O)OC(C)(C)C)C1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC001573873800 961224924 /nfs/dbraw/zinc/22/49/24/961224924.db2.gz CUPQMAFPSYEJKT-UHFFFAOYSA-N -1 3 392.496 3.485 20 0 GGADHM CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C[C@H](O)c1ccc(C)cc1 ZINC001573881788 961284726 /nfs/dbraw/zinc/28/47/26/961284726.db2.gz YHNBNZHLRXJBRN-QUCCMNQESA-N -1 3 386.492 3.445 20 0 GGADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cccc3c[nH]nc31)CC2 ZINC001331968180 961447050 /nfs/dbraw/zinc/44/70/50/961447050.db2.gz ZGIUKHXLMGSWGR-KRWDZBQOSA-N -1 3 381.432 3.154 20 0 GGADHM CCOc1ccc(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001573919792 961522237 /nfs/dbraw/zinc/52/22/37/961522237.db2.gz JTCXISLPOFBCHP-RYGJVYDSSA-N -1 3 382.460 3.213 20 0 GGADHM Cn1nc(C(=O)[O-])cc1CN(CCCNC(=O)OC(C)(C)C)CC1CCCC1 ZINC001574467111 961578851 /nfs/dbraw/zinc/57/88/51/961578851.db2.gz QKAVJGOANMHOMV-UHFFFAOYSA-N -1 3 394.516 3.025 20 0 GGADHM Cc1oc(CN(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC001332605942 961598931 /nfs/dbraw/zinc/59/89/31/961598931.db2.gz IAOKYWQQNZFWNH-INIZCTEOSA-N -1 3 388.439 3.296 20 0 GGADHM O=C([O-])[C@H](CC1CCOCC1)NCc1csc(COc2ccccc2)n1 ZINC001333136092 961650960 /nfs/dbraw/zinc/65/09/60/961650960.db2.gz DFWGVGXEWMTQCN-KRWDZBQOSA-N -1 3 376.478 3.082 20 0 GGADHM CN(C)CCN(C(=O)Nc1cc(C(=O)[O-])ccc1Br)C1CCCC1 ZINC001573989940 961810581 /nfs/dbraw/zinc/81/05/81/961810581.db2.gz QRCAHQWAWJJFGG-UHFFFAOYSA-N -1 3 398.301 3.485 20 0 GGADHM C[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000262747423 961845507 /nfs/dbraw/zinc/84/55/07/961845507.db2.gz ARADOKXROIWNOY-GHTZIAJQSA-N -1 3 386.536 3.433 20 0 GGADHM C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000262747426 961845944 /nfs/dbraw/zinc/84/59/44/961845944.db2.gz ARADOKXROIWNOY-RXVVDRJESA-N -1 3 386.536 3.433 20 0 GGADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001574015933 961947293 /nfs/dbraw/zinc/94/72/93/961947293.db2.gz NUBLHYURJSBCMH-QGZVFWFLSA-N -1 3 382.464 3.298 20 0 GGADHM Cc1oc(CN(C)C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1C(=O)[O-] ZINC001339510089 962034351 /nfs/dbraw/zinc/03/43/51/962034351.db2.gz PSVDRAMILIIHOP-UHFFFAOYSA-N -1 3 399.491 3.089 20 0 GGADHM CCCN1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001339524415 962039261 /nfs/dbraw/zinc/03/92/61/962039261.db2.gz VCSUWKGXUYIAKU-OAHLLOKOSA-N -1 3 383.286 3.028 20 0 GGADHM O=C([O-])C1CCC(NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC001574570725 962052617 /nfs/dbraw/zinc/05/26/17/962052617.db2.gz DWGVTNNBRZIBOU-UHFFFAOYSA-N -1 3 395.503 3.308 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001339837575 962074568 /nfs/dbraw/zinc/07/45/68/962074568.db2.gz XBASMDVJYGRNNE-HZPDHXFCSA-N -1 3 379.526 3.171 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)N(C)C)cc1 ZINC001339864966 962081737 /nfs/dbraw/zinc/08/17/37/962081737.db2.gz WZHVNEAMSHUCKC-MAUKXSAKSA-N -1 3 393.553 3.298 20 0 GGADHM CC(C)C[C@H](CNCc1c(Br)cncc1Br)C(=O)[O-] ZINC000263011701 962112297 /nfs/dbraw/zinc/11/22/97/962112297.db2.gz BXFFFRBTJATSLY-SECBINFHSA-N -1 3 394.107 3.443 20 0 GGADHM COC(=O)[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)CC1CCCC1 ZINC001574047454 962129567 /nfs/dbraw/zinc/12/95/67/962129567.db2.gz RITLSMSKRASESF-KRWDZBQOSA-N -1 3 392.496 3.040 20 0 GGADHM CC[C@@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001343020945 962153372 /nfs/dbraw/zinc/15/33/72/962153372.db2.gz LMGYLXIVLNDSBA-PXNSSMCTSA-N -1 3 387.524 3.110 20 0 GGADHM CC[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001344485360 962177594 /nfs/dbraw/zinc/17/75/94/962177594.db2.gz QUAMFZCYZSHEDP-NFBKMPQASA-N -1 3 380.488 3.416 20 0 GGADHM CC(C)(CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)CC(F)F ZINC001344512687 962184888 /nfs/dbraw/zinc/18/48/88/962184888.db2.gz USHQMLKERWLFQA-FQEVSTJZSA-N -1 3 382.451 3.294 20 0 GGADHM CC(C)C[C@H](CNCc1c(F)ccc(I)c1F)C(=O)[O-] ZINC000263063199 962202725 /nfs/dbraw/zinc/20/27/25/962202725.db2.gz NFSMXBWOFFWHBO-SECBINFHSA-N -1 3 397.203 3.406 20 0 GGADHM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001345095414 962226053 /nfs/dbraw/zinc/22/60/53/962226053.db2.gz HTYPIZZVVHVFJO-IMSXRSKXSA-N -1 3 392.499 3.334 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000263109883 962262647 /nfs/dbraw/zinc/26/26/47/962262647.db2.gz KYXDSAXUGWNAJJ-YOEHRIQHSA-N -1 3 396.434 3.360 20 0 GGADHM C/C(=C\C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345729333 962275979 /nfs/dbraw/zinc/27/59/79/962275979.db2.gz JUYVCBGISNIJGV-KEWFZMHCSA-N -1 3 378.472 3.326 20 0 GGADHM C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263145240 962299860 /nfs/dbraw/zinc/29/98/60/962299860.db2.gz ORVWZSRZNNTPRD-KGLIPLIRSA-N -1 3 384.879 3.403 20 0 GGADHM CSc1ccccc1CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001346301101 962340624 /nfs/dbraw/zinc/34/06/24/962340624.db2.gz SCVVWPLWRNEUCB-JOCHJYFZSA-N -1 3 398.528 3.187 20 0 GGADHM C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263197544 962353748 /nfs/dbraw/zinc/35/37/48/962353748.db2.gz WRWBBKPDULPDIP-HZPDHXFCSA-N -1 3 396.915 3.143 20 0 GGADHM C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263197541 962353867 /nfs/dbraw/zinc/35/38/67/962353867.db2.gz WRWBBKPDULPDIP-CVEARBPZSA-N -1 3 396.915 3.143 20 0 GGADHM C/C(=C/c1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347496177 962388697 /nfs/dbraw/zinc/38/86/97/962388697.db2.gz PKQVDOKSXODCCH-VOJYKXCQSA-N -1 3 396.462 3.465 20 0 GGADHM O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC001574648597 962405578 /nfs/dbraw/zinc/40/55/78/962405578.db2.gz WDMFGGBXNLIFBH-KRWDZBQOSA-N -1 3 384.501 3.313 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN(CCCO)[C@H]3CCc4ccccc43)o2)C1 ZINC001574652497 962454055 /nfs/dbraw/zinc/45/40/55/962454055.db2.gz ZENWJWQPQFIFRN-RXVVDRJESA-N -1 3 398.503 3.453 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN(CCCO)[C@@H]3CCc4ccccc43)o2)C1 ZINC001574652498 962454462 /nfs/dbraw/zinc/45/44/62/962454462.db2.gz ZENWJWQPQFIFRN-WIYYLYMNSA-N -1 3 398.503 3.453 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2cccc3c2OCCO3)C[C@H]1c1ccc(F)cc1F ZINC001349612173 962477866 /nfs/dbraw/zinc/47/78/66/962477866.db2.gz DAIXXRHNBZMRRJ-JKSUJKDBSA-N -1 3 375.371 3.036 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263375328 962532998 /nfs/dbraw/zinc/53/29/98/962532998.db2.gz ODVBCZVGNCWGLW-CTWPCTMYSA-N -1 3 375.513 3.086 20 0 GGADHM C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263380249 962536937 /nfs/dbraw/zinc/53/69/37/962536937.db2.gz BKOWZIWESGOTIS-OAHLLOKOSA-N -1 3 388.489 3.118 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263395568 962557334 /nfs/dbraw/zinc/55/73/34/962557334.db2.gz RDTRCPNRYWETKW-HXUWFJFHSA-N -1 3 383.492 3.341 20 0 GGADHM O=C([O-])C12CCC(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)(CC1)CC2 ZINC001350795035 962593986 /nfs/dbraw/zinc/59/39/86/962593986.db2.gz CFHKLDUEUFEVSI-UHFFFAOYSA-N -1 3 386.492 3.007 20 0 GGADHM CN(C(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)[C@@H]1CCCN(C)C1 ZINC000263436549 962612964 /nfs/dbraw/zinc/61/29/64/962612964.db2.gz UTGVANCLVLQWED-HXUWFJFHSA-N -1 3 381.476 3.163 20 0 GGADHM O=C([O-])c1cccc(CNCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c1 ZINC000263436556 962613881 /nfs/dbraw/zinc/61/38/81/962613881.db2.gz UTNKCAPNAHZLRL-UHFFFAOYSA-N -1 3 393.443 3.044 20 0 GGADHM O=C([O-])c1ccc(CNCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1 ZINC000263440711 962621278 /nfs/dbraw/zinc/62/12/78/962621278.db2.gz WJSGHNFWGWJBFE-UHFFFAOYSA-N -1 3 393.443 3.044 20 0 GGADHM Cc1ccccc1C[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001520151234 962812938 /nfs/dbraw/zinc/81/29/38/962812938.db2.gz NVEHNFNSQVTSRJ-NTKDMRAZSA-N -1 3 394.515 3.409 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc(F)c3occc32)CCCN(Cc2ccccc2)C1 ZINC001526712545 962880483 /nfs/dbraw/zinc/88/04/83/962880483.db2.gz XTDPIIBMNNLFAG-JOCHJYFZSA-N -1 3 396.418 3.421 20 0 GGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549035195 962923113 /nfs/dbraw/zinc/92/31/13/962923113.db2.gz CFAYENPWLFWQBL-CDHQVMDDSA-N -1 3 384.451 3.145 20 0 GGADHM O=C([O-])[C@@H]1CN([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@@H]1c1ccccc1 ZINC001549035467 962925375 /nfs/dbraw/zinc/92/53/75/962925375.db2.gz BSESHYHMOMASHT-MBOZVWFJSA-N -1 3 382.435 3.121 20 0 GGADHM COc1ccc([C@@H](C)NCC2(O)CCC(C(=O)[O-])CC2)c(Br)c1 ZINC001574222642 962964380 /nfs/dbraw/zinc/96/43/80/962964380.db2.gz HMKSXISPLPHCLT-ZBFVHZJFSA-N -1 3 386.286 3.114 20 0 GGADHM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000150219476 967645976 /nfs/dbraw/zinc/64/59/76/967645976.db2.gz KQFKROUHNJICGA-VQTJNVASSA-N -1 3 387.524 3.042 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262900298 967830566 /nfs/dbraw/zinc/83/05/66/967830566.db2.gz CTYBQFJAAZBZIQ-HNNXBMFYSA-N -1 3 389.418 3.204 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c2ccccc2)CC1 ZINC000263375636 967881803 /nfs/dbraw/zinc/88/18/03/967881803.db2.gz WOEVERVVSUUIHR-DFQSSKMNSA-N -1 3 387.524 3.212 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263434493 967892017 /nfs/dbraw/zinc/89/20/17/967892017.db2.gz ZNVMOCZIWLXWER-KRWDZBQOSA-N -1 3 381.476 3.048 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000263502296 967898564 /nfs/dbraw/zinc/89/85/64/967898564.db2.gz UDGRMNNQJBWPSJ-UHFFFAOYSA-N -1 3 399.516 3.298 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000388560062 968155442 /nfs/dbraw/zinc/15/54/42/968155442.db2.gz ZIFODUUCYTYZCE-RBUKOAKNSA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000424260467 968353897 /nfs/dbraw/zinc/35/38/97/968353897.db2.gz OAHWBNBAWLONEM-SFHVURJKSA-N -1 3 376.497 3.024 20 0 GGADHM O=C([O-])C[C@H]1CCCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000532880888 968401019 /nfs/dbraw/zinc/40/10/19/968401019.db2.gz CYHASLCYKONDFV-ZHRRBRCNSA-N -1 3 398.528 3.409 20 0 GGADHM O=C([O-])C[C@H]1CCCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000532881691 968401034 /nfs/dbraw/zinc/40/10/34/968401034.db2.gz PQONEGJILSHDPN-HXUWFJFHSA-N -1 3 396.487 3.069 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC000563077264 968414262 /nfs/dbraw/zinc/41/42/62/968414262.db2.gz FZZLMGLOLBOMHE-UXPWSPDFSA-N -1 3 389.540 3.240 20 0 GGADHM C[C@@H]1CCN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000565362697 968423930 /nfs/dbraw/zinc/42/39/30/968423930.db2.gz LKBHMRQFLOCXDK-CNDZOEFASA-N -1 3 398.478 3.416 20 0 GGADHM C[C@@H]1CCN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000565362695 968424065 /nfs/dbraw/zinc/42/40/65/968424065.db2.gz LKBHMRQFLOCXDK-BSLALVQMSA-N -1 3 398.478 3.416 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000579587325 968470644 /nfs/dbraw/zinc/47/06/44/968470644.db2.gz CPPOJWAHKBVUIZ-YZGWKJHDSA-N -1 3 387.524 3.212 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000581949112 968475754 /nfs/dbraw/zinc/47/57/54/968475754.db2.gz OHOAYACTSUHSJE-PIGZYNQJSA-N -1 3 399.369 3.240 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000581949109 968476015 /nfs/dbraw/zinc/47/60/15/968476015.db2.gz OHOAYACTSUHSJE-APPDUMDISA-N -1 3 399.369 3.240 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)N(C)C)cc1 ZINC000626763466 968518093 /nfs/dbraw/zinc/51/80/93/968518093.db2.gz JPUMMPNPRQQUBX-UXPWSPDFSA-N -1 3 389.540 3.240 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000647367628 968572785 /nfs/dbraw/zinc/57/27/85/968572785.db2.gz YAIFAIHWHGKNRU-LDBYXDLTSA-N -1 3 398.528 3.407 20 0 GGADHM O=C([O-])[C@@H]1CN(C[C@H](O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000652470604 968634576 /nfs/dbraw/zinc/63/45/76/968634576.db2.gz BXMIOAYQFLCLTO-MAUKXSAKSA-N -1 3 395.377 3.129 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655877187 968701676 /nfs/dbraw/zinc/70/16/76/968701676.db2.gz XVVXUOOZOCDKFE-KSIDHJATSA-N -1 3 375.513 3.112 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655877185 968702274 /nfs/dbraw/zinc/70/22/74/968702274.db2.gz XVVXUOOZOCDKFE-FZMABENVSA-N -1 3 375.513 3.112 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000666566669 968846808 /nfs/dbraw/zinc/84/68/08/968846808.db2.gz BNQDBOXHZQUQJD-QGZVFWFLSA-N -1 3 381.476 3.048 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)c2)CC1 ZINC000901626635 969452940 /nfs/dbraw/zinc/45/29/40/969452940.db2.gz BOWXOHLRKIUXES-UHFFFAOYSA-N -1 3 387.524 3.293 20 0 GGADHM COC(=O)c1cnc(CC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)s1 ZINC000903692970 969587847 /nfs/dbraw/zinc/58/78/47/969587847.db2.gz AHBHQOPLPMZSJJ-UHFFFAOYSA-N -1 3 380.491 3.144 20 0 GGADHM C[C@H](c1nc(-c2cccs2)no1)N1CCN(CCC2(C(=O)[O-])CCC2)CC1 ZINC000903696985 969590485 /nfs/dbraw/zinc/59/04/85/969590485.db2.gz FSPXVNDWFLKQNO-CQSZACIVSA-N -1 3 390.509 3.122 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN(CCCO)[C@@H]3CCc4ccccc43)o2)CC1 ZINC000904193590 969600326 /nfs/dbraw/zinc/60/03/26/969600326.db2.gz LBNGUHOCAXGEPJ-OAQYLSRUSA-N -1 3 398.503 3.453 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNCCc3cc(C(F)(F)F)ccn3)o2)CC1 ZINC000904242378 969604619 /nfs/dbraw/zinc/60/46/19/969604619.db2.gz LBEKUBJBSTZHCD-UHFFFAOYSA-N -1 3 397.397 3.327 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC[C@@H](CO)c3ccc(Cl)cc3)o2)CC1 ZINC000904256984 969606420 /nfs/dbraw/zinc/60/64/20/969606420.db2.gz MWVCVDOVPAFFOQ-INIZCTEOSA-N -1 3 392.883 3.100 20 0 GGADHM C[C@]1(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCN(Cc2ccccc2)C1 ZINC001121844261 969680372 /nfs/dbraw/zinc/68/03/72/969680372.db2.gz RQVUBSLROQXLFK-QTEQDKRBSA-N -1 3 393.487 3.263 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001122291860 969685636 /nfs/dbraw/zinc/68/56/36/969685636.db2.gz PBUNMQYYIWQFKV-UWJYYQICSA-N -1 3 376.472 3.141 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001335361468 969731076 /nfs/dbraw/zinc/73/10/76/969731076.db2.gz QPVXPOKDHQJQBX-BEFAXECRSA-N -1 3 379.526 3.171 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccco1 ZINC001343041893 969756603 /nfs/dbraw/zinc/75/66/03/969756603.db2.gz SVBLVADLYMITAA-WBAXXEDZSA-N -1 3 385.464 3.102 20 0 GGADHM Cc1cccc(NC[C@H]2CCCN2Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)n1 ZINC001352787918 969775134 /nfs/dbraw/zinc/77/51/34/969775134.db2.gz KCOADQKEULAWGT-GOSISDBHSA-N -1 3 398.507 3.361 20 0 GGADHM CN(CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)Cc1ccccc1 ZINC001604177622 972598959 /nfs/dbraw/zinc/59/89/59/972598959.db2.gz QQMBBDRGLZJIHY-UHFFFAOYSA-N -1 3 379.819 3.431 20 0 GGADHM O=C([O-])[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CC1 ZINC001605900643 972726112 /nfs/dbraw/zinc/72/61/12/972726112.db2.gz FEQTYIOGUPGDQA-HBMCJLEFSA-N -1 3 396.462 3.021 20 0 GGADHM Cc1cc(Br)cn2c(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)cnc12 ZINC001605102248 972759546 /nfs/dbraw/zinc/75/95/46/972759546.db2.gz RIPGKKSNOCYPCM-OAHLLOKOSA-N -1 3 392.228 3.460 20 0 GGADHM Cc1cc(CN2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)cc(C)n1 ZINC001605165611 972863936 /nfs/dbraw/zinc/86/39/36/972863936.db2.gz OITCVLRASAPXCQ-QGZVFWFLSA-N -1 3 391.512 3.232 20 0 GGADHM O=C([O-])C1CCC(O)(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC001605994366 973059984 /nfs/dbraw/zinc/05/99/84/973059984.db2.gz PUKPBUZLIBGGMC-VOZVASTJSA-N -1 3 377.325 3.055 20 0 GGADHM O=C([O-])C1CCC(O)(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC001605994364 973061035 /nfs/dbraw/zinc/06/10/35/973061035.db2.gz PUKPBUZLIBGGMC-QRVCZOOMSA-N -1 3 377.325 3.055 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H](c3ccco3)N3CCCC3)o2)C1 ZINC001605999497 973087413 /nfs/dbraw/zinc/08/74/13/973087413.db2.gz UHUCABPFZCZBER-AEFFLSMTSA-N -1 3 387.480 3.100 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@H]3CCCN(c4ccccc4)C3)o2)C1 ZINC001605999570 973088589 /nfs/dbraw/zinc/08/85/89/973088589.db2.gz VPNNLWUYONMMLK-MSOLQXFVSA-N -1 3 383.492 3.339 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@@H]3CC[C@H]4SCCS[C@H]34)o2)C1 ZINC001605999774 973093295 /nfs/dbraw/zinc/09/32/95/973093295.db2.gz ZMSPAMRQNMGYBO-DNNBLBMLSA-N -1 3 382.551 3.050 20 0 GGADHM COC(=O)c1cccc(-c2nc(CN[C@@H](Cc3ccccc3)C(=O)[O-])cs2)c1 ZINC001604400373 973135224 /nfs/dbraw/zinc/13/52/24/973135224.db2.gz XJKFJFHGDLRKSD-SFHVURJKSA-N -1 3 396.468 3.382 20 0 GGADHM Cc1csc(C[C@@H]2CCN(Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380579 973337898 /nfs/dbraw/zinc/33/78/98/973337898.db2.gz KXSGJYDWBUCOAB-JKSUJKDBSA-N -1 3 389.521 3.410 20 0 GGADHM O=C([O-])CCN(Cc1nnc(-c2cccc3ccccc32)o1)C1CCOCC1 ZINC001606190771 973442302 /nfs/dbraw/zinc/44/23/02/973442302.db2.gz WTHQHPBLCUPQFS-UHFFFAOYSA-N -1 3 381.432 3.346 20 0 GGADHM O=C([O-])CN1CC[C@H](N[C@H](CCCCc2ccccc2)c2ccccc2)C1=O ZINC001606243966 973522414 /nfs/dbraw/zinc/52/24/14/973522414.db2.gz PGGJVWJLPJSUAN-RTWAWAEBSA-N -1 3 380.488 3.416 20 0 GGADHM Cc1sc(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1Br ZINC001605460990 973555923 /nfs/dbraw/zinc/55/59/23/973555923.db2.gz IRHPUSNPUXLERA-NWDGAFQWSA-N -1 3 398.326 3.243 20 0 GGADHM Cn1ncc(C(=O)[O-])c1CN1CCC(c2ccc(Br)cc2)CC1 ZINC001605549614 973761212 /nfs/dbraw/zinc/76/12/12/973761212.db2.gz DABYUZLTNAQFGF-UHFFFAOYSA-N -1 3 378.270 3.260 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001603609623 973875318 /nfs/dbraw/zinc/87/53/18/973875318.db2.gz LDKMGEOEBADCDF-GOSISDBHSA-N -1 3 384.423 3.147 20 0 GGADHM CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCCC(=O)[O-] ZINC000414619053 973942627 /nfs/dbraw/zinc/94/26/27/973942627.db2.gz BCLKGIAPZIODIM-HXUWFJFHSA-N -1 3 389.540 3.226 20 0 GGADHM CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCCC(=O)[O-] ZINC000414619042 973942693 /nfs/dbraw/zinc/94/26/93/973942693.db2.gz BCLKGIAPZIODIM-FQEVSTJZSA-N -1 3 389.540 3.226 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001604772130 973990366 /nfs/dbraw/zinc/99/03/66/973990366.db2.gz FLOHQDCKCBJEAI-ZCNNSNEGSA-N -1 3 382.460 3.164 20 0 GGADHM COc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC001604772451 973992161 /nfs/dbraw/zinc/99/21/61/973992161.db2.gz LIOSJBOTDGDRPF-LJQANCHMSA-N -1 3 383.448 3.352 20 0 GGADHM O=C([O-])c1cccc(CN[C@@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC001606513262 974005548 /nfs/dbraw/zinc/00/55/48/974005548.db2.gz CGKGWBRXTIMKBA-MRXNPFEDSA-N -1 3 389.249 3.190 20 0 GGADHM O=C([O-])c1cccc(CN[C@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC001606513252 974005913 /nfs/dbraw/zinc/00/59/13/974005913.db2.gz CGKGWBRXTIMKBA-INIZCTEOSA-N -1 3 389.249 3.190 20 0 GGADHM COc1ccc(C[C@H]2CCN2Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC001604780510 974010838 /nfs/dbraw/zinc/01/08/38/974010838.db2.gz RQPTVIPNARYCIS-GOSISDBHSA-N -1 3 384.476 3.406 20 0 GGADHM COc1ccc(C[C@@H]2CCN2Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC001604780511 974011053 /nfs/dbraw/zinc/01/10/53/974011053.db2.gz RQPTVIPNARYCIS-SFHVURJKSA-N -1 3 384.476 3.406 20 0 GGADHM O=C([O-])c1ccccc1CNCc1cc(Br)c2c(c1)OCCO2 ZINC001606523238 974026439 /nfs/dbraw/zinc/02/64/39/974026439.db2.gz DJDKHQLIIJGZRC-UHFFFAOYSA-N -1 3 378.222 3.208 20 0 GGADHM COc1cccc([C@@H](CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)OC)c1 ZINC001604856867 974099704 /nfs/dbraw/zinc/09/97/04/974099704.db2.gz FZMAJNBNQCTRDG-VQIMIIECSA-N -1 3 388.464 3.067 20 0 GGADHM COc1cccc([C@H](CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)OC)c1 ZINC001604856864 974099951 /nfs/dbraw/zinc/09/99/51/974099951.db2.gz FZMAJNBNQCTRDG-APWZRJJASA-N -1 3 388.464 3.067 20 0 GGADHM CCN(CC)[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccco1 ZINC001603732642 974172103 /nfs/dbraw/zinc/17/21/03/974172103.db2.gz NWLRYHPQNMUWOT-AEFFLSMTSA-N -1 3 389.496 3.346 20 0 GGADHM CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603760309 974203466 /nfs/dbraw/zinc/20/34/66/974203466.db2.gz LKTUMOIZQXYOKJ-LPADLIQXSA-N -1 3 398.459 3.210 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)N[C@@H](C(=O)[O-])c3cccc(C)c3)c2)CC1 ZINC001603768703 974219555 /nfs/dbraw/zinc/21/95/55/974219555.db2.gz VYBNIPBXALGQBW-HXUWFJFHSA-N -1 3 396.491 3.084 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)N[C@H](C(=O)[O-])c3cccc(C)c3)c2)CC1 ZINC001603768701 974219597 /nfs/dbraw/zinc/21/95/97/974219597.db2.gz VYBNIPBXALGQBW-FQEVSTJZSA-N -1 3 396.491 3.084 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C12CCC2 ZINC001603825688 974321165 /nfs/dbraw/zinc/32/11/65/974321165.db2.gz JPTOQQBMIQBHMT-CGTJXYLNSA-N -1 3 376.497 3.360 20 0 GGADHM O=C([O-])[C@@H]1CN([C@H]2CCCN(c3cccc(F)c3)C2=O)C[C@H]1c1ccccc1 ZINC000518532791 974323116 /nfs/dbraw/zinc/32/31/16/974323116.db2.gz CCLDSUQLRMSKQG-ZCNNSNEGSA-N -1 3 382.435 3.121 20 0 GGADHM COc1ccc2ccccc2c1-c1cc(CN2CC[C@](OC)(C(=O)[O-])C2)on1 ZINC000530172508 974361768 /nfs/dbraw/zinc/36/17/68/974361768.db2.gz YREYYQWDHRCWIF-OAQYLSRUSA-N -1 3 382.416 3.179 20 0 GGADHM CCc1onc(C)c1CN1CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1 ZINC001603997986 974501496 /nfs/dbraw/zinc/50/14/96/974501496.db2.gz OHIIAXCJIVBNIR-OAHLLOKOSA-N -1 3 395.500 3.079 20 0 GGADHM CN(C)[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccs1 ZINC001604054764 974587911 /nfs/dbraw/zinc/58/79/11/974587911.db2.gz ZXUCJZKPWHLPKZ-ZBFHGGJFSA-N -1 3 377.510 3.035 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001604067442 974603373 /nfs/dbraw/zinc/60/33/73/974603373.db2.gz MMRZIDRAYKMIPO-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000566984138 974625517 /nfs/dbraw/zinc/62/55/17/974625517.db2.gz CSHDTYCNUDMNSO-NSHDSACASA-N -1 3 384.358 3.273 20 0 GGADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000566984137 974625640 /nfs/dbraw/zinc/62/56/40/974625640.db2.gz CSHDTYCNUDMNSO-LLVKDONJSA-N -1 3 384.358 3.273 20 0 GGADHM O=C([O-])c1cccc2c1CCN(C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000570177815 974705769 /nfs/dbraw/zinc/70/57/69/974705769.db2.gz FVOPVPYGZSORFI-OAHLLOKOSA-N -1 3 379.378 3.365 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN([C@@H](C)c1cc(C)c(C(=O)[O-])o1)CC2 ZINC000573452424 974765279 /nfs/dbraw/zinc/76/52/79/974765279.db2.gz ORPWRDNYEAWCDN-ZDUSSCGKSA-N -1 3 389.448 3.474 20 0 GGADHM Cc1sc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1C(=O)[O-] ZINC000577282305 974833182 /nfs/dbraw/zinc/83/31/82/974833182.db2.gz FGGXKGQOPDOGOZ-ZDUSSCGKSA-N -1 3 385.411 3.277 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000579365062 974873896 /nfs/dbraw/zinc/87/38/96/974873896.db2.gz KWRHHSUJNCRHRW-INIZCTEOSA-N -1 3 398.478 3.483 20 0 GGADHM O=C([O-])c1ccc(OC[C@@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000580202338 974890967 /nfs/dbraw/zinc/89/09/67/974890967.db2.gz XGTVQPYCUPARQZ-SFHVURJKSA-N -1 3 375.852 3.443 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000580778305 974900075 /nfs/dbraw/zinc/90/00/75/974900075.db2.gz HXIBQNQBXLLMAF-HNNXBMFYSA-N -1 3 383.366 3.275 20 0 GGADHM CC1(C)CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000584785895 974959283 /nfs/dbraw/zinc/95/92/83/974959283.db2.gz SQDJWNXJWYLATQ-HIFRSBDPSA-N -1 3 375.387 3.035 20 0 GGADHM Cc1nc(CN2CCN(C(C)(C)C(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000629364161 975084234 /nfs/dbraw/zinc/08/42/34/975084234.db2.gz UMZCKBMXLVXGJH-UHFFFAOYSA-N -1 3 377.872 3.284 20 0 GGADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cccc3c1CCOC3)CC2 ZINC000634692019 975272321 /nfs/dbraw/zinc/27/23/21/975272321.db2.gz SGGPWBPAYASFNN-FQEVSTJZSA-N -1 3 397.471 3.351 20 0 GGADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000650504438 975444355 /nfs/dbraw/zinc/44/43/55/975444355.db2.gz NJWQYAODZPJLHH-NHCUHLMSSA-N -1 3 380.488 3.416 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000650504727 975444552 /nfs/dbraw/zinc/44/45/52/975444552.db2.gz AAQAWIKZKLAKRX-ICSRJNTNSA-N -1 3 388.508 3.468 20 0 GGADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000650504437 975445106 /nfs/dbraw/zinc/44/51/06/975445106.db2.gz NJWQYAODZPJLHH-LEWJYISDSA-N -1 3 380.488 3.416 20 0 GGADHM O=C([O-])C[C@H]1CCCCN1CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000650505914 975446600 /nfs/dbraw/zinc/44/66/00/975446600.db2.gz VGHDAJAEBULEAX-GOSISDBHSA-N -1 3 376.472 3.083 20 0 GGADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000650505562 975446945 /nfs/dbraw/zinc/44/69/45/975446945.db2.gz HVLKKMIEIJMPHX-FQEVSTJZSA-N -1 3 396.487 3.211 20 0 GGADHM C[C@H](NC(=O)CN1CCCC[C@H]1CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000650506004 975447700 /nfs/dbraw/zinc/44/77/00/975447700.db2.gz ZAASLCPXPDMSJC-JSGCOSHPSA-N -1 3 388.386 3.092 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000652406716 975524628 /nfs/dbraw/zinc/52/46/28/975524628.db2.gz PEIGMEWNLZSFGG-OAHLLOKOSA-N -1 3 382.395 3.349 20 0 GGADHM COc1ccc(-c2noc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)n2)c(OC)c1 ZINC000652500294 975564205 /nfs/dbraw/zinc/56/42/05/975564205.db2.gz KKYSKULZIDIGAX-CYBMUJFWSA-N -1 3 389.452 3.077 20 0 GGADHM C[C@@H](CN(Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nn1)C(=O)[O-] ZINC000656190821 975643653 /nfs/dbraw/zinc/64/36/53/975643653.db2.gz SFTLESMLLZMTII-ZDUSSCGKSA-N -1 3 383.370 3.141 20 0 GGADHM CC(C)Oc1c(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cccc1C(=O)[O-] ZINC001591746476 975784947 /nfs/dbraw/zinc/78/49/47/975784947.db2.gz IBYRXZFASQTNDA-KRWDZBQOSA-N -1 3 399.491 3.466 20 0 GGADHM CC(C)Oc1c(NC(=O)NC[C@H]2CCCCN2C2CC2)cccc1C(=O)[O-] ZINC001591747738 975797561 /nfs/dbraw/zinc/79/75/61/975797561.db2.gz YDUQIGKHSPZNEW-OAHLLOKOSA-N -1 3 375.469 3.310 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)N2CCCC2)cc1 ZINC000659755523 975863432 /nfs/dbraw/zinc/86/34/32/975863432.db2.gz YMABJBUYZVFJMH-HXUWFJFHSA-N -1 3 382.460 3.025 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccccn3)no2)C[C@H]1c1ccc(Cl)cc1 ZINC000659797598 975887012 /nfs/dbraw/zinc/88/70/12/975887012.db2.gz MWQRCSCIGGDONP-LSDHHAIUSA-N -1 3 384.823 3.085 20 0 GGADHM C[C@H]1C[C@@H]1c1noc(CC2CCN(CCOc3ccccc3C(=O)[O-])CC2)n1 ZINC000659798960 975888239 /nfs/dbraw/zinc/88/82/39/975888239.db2.gz VTPVYSKZJSJQCL-YOEHRIQHSA-N -1 3 385.464 3.225 20 0 GGADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN(CCOc3ccccc3C(=O)[O-])CC2)n1 ZINC000659798954 975888302 /nfs/dbraw/zinc/88/83/02/975888302.db2.gz VTPVYSKZJSJQCL-PBHICJAKSA-N -1 3 385.464 3.225 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)c2cc(F)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC001591776677 975923180 /nfs/dbraw/zinc/92/31/80/975923180.db2.gz GXGBGQDAYARDIM-IBGZPJMESA-N -1 3 388.439 3.344 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC001591776683 975924267 /nfs/dbraw/zinc/92/42/67/975924267.db2.gz GYUAVMYKYSLUGT-FQEVSTJZSA-N -1 3 384.476 3.134 20 0 GGADHM CC(C)Oc1ccc(CCNC(=O)CN[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001591776794 975926462 /nfs/dbraw/zinc/92/64/62/975926462.db2.gz MGNRHOSOEWBFFK-JOCHJYFZSA-N -1 3 390.524 3.146 20 0 GGADHM CCCN(CCN1CCCCCC1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000685190312 976096595 /nfs/dbraw/zinc/09/65/95/976096595.db2.gz RSMRUOWQXPREKV-UHFFFAOYSA-N -1 3 396.553 3.278 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001591971970 976569424 /nfs/dbraw/zinc/56/94/24/976569424.db2.gz ABFACSPPAPBRRX-GOSISDBHSA-N -1 3 390.524 3.128 20 0 GGADHM CC(C)n1cnnc1[C@H]1CCCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001592148089 977006635 /nfs/dbraw/zinc/00/66/35/977006635.db2.gz AYTQINCMYHQGLR-VOCYLRNQSA-N -1 3 384.480 3.215 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cc(Cl)cc2c1OCC2 ZINC001592268102 977520028 /nfs/dbraw/zinc/52/00/28/977520028.db2.gz JOXRGBKGVSHALT-LBPRGKRZSA-N -1 3 388.851 3.480 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001592270035 977533366 /nfs/dbraw/zinc/53/33/66/977533366.db2.gz OPWOTUABUIUDJY-OXQOHEQNSA-N -1 3 392.459 3.330 20 0 GGADHM C[C@](CC(=O)[O-])(NCCOc1ccc(Br)cc1)c1ccccn1 ZINC001592316570 977694280 /nfs/dbraw/zinc/69/42/80/977694280.db2.gz BHABZYZQJHATKU-QGZVFWFLSA-N -1 3 379.254 3.203 20 0 GGADHM C[C@@](CC(=O)[O-])(NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC001592322123 977724919 /nfs/dbraw/zinc/72/49/19/977724919.db2.gz MVKLSNLQCJVNMV-QAPCUYQASA-N -1 3 399.274 3.108 20 0 GGADHM C[C@](CC(=O)[O-])(NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC001592322120 977724968 /nfs/dbraw/zinc/72/49/68/977724968.db2.gz MVKLSNLQCJVNMV-MAUKXSAKSA-N -1 3 399.274 3.108 20 0 GGADHM C[C@](CC(=O)[O-])(NCc1ccc(I)cc1)c1ccncc1 ZINC001592327686 977742680 /nfs/dbraw/zinc/74/26/80/977742680.db2.gz CRZZFSIUWAAUSP-MRXNPFEDSA-N -1 3 396.228 3.166 20 0 GGADHM C[C@](CC(=O)[O-])(NCc1ccc(I)cc1)c1cccnc1 ZINC001592328850 977748966 /nfs/dbraw/zinc/74/89/66/977748966.db2.gz NTGNPFVDAHDWNE-MRXNPFEDSA-N -1 3 396.228 3.166 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2)CC1 ZINC000736475366 978337469 /nfs/dbraw/zinc/33/74/69/978337469.db2.gz TZORJCMSZWTQMV-HXUWFJFHSA-N -1 3 393.487 3.046 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000737084989 978378723 /nfs/dbraw/zinc/37/87/23/978378723.db2.gz HBYYBHYYEHDWBU-JENIJYKNSA-N -1 3 376.497 3.085 20 0 GGADHM C[C@H](CN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592584990 978506245 /nfs/dbraw/zinc/50/62/45/978506245.db2.gz WGIOSZVFFWBPFV-GFCCVEGCSA-N -1 3 393.459 3.361 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000768775514 978738914 /nfs/dbraw/zinc/73/89/14/978738914.db2.gz FSYGBUWJWQBRLK-UHFFFAOYSA-N -1 3 383.448 3.050 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC000832057697 979039676 /nfs/dbraw/zinc/03/96/76/979039676.db2.gz RBHRASNSGMKPOL-NRFANRHFSA-N -1 3 398.459 3.136 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC000832057698 979039752 /nfs/dbraw/zinc/03/97/52/979039752.db2.gz RBHRASNSGMKPOL-OAQYLSRUSA-N -1 3 398.459 3.136 20 0 GGADHM Cc1cc(CNc2cccc(CN3CCN(C)CC3)c2)cc(C)c1OCC(=O)[O-] ZINC000832886609 979052697 /nfs/dbraw/zinc/05/26/97/979052697.db2.gz VMYXTBYAZBSDJB-UHFFFAOYSA-N -1 3 397.519 3.126 20 0 GGADHM C[C@](CNCc1cn(-c2ccc(F)cc2Cl)nn1)(C(=O)[O-])c1ccccc1 ZINC001592712239 979203349 /nfs/dbraw/zinc/20/33/49/979203349.db2.gz JICBMTIFPKCHHW-LJQANCHMSA-N -1 3 388.830 3.192 20 0 GGADHM CC[C@@H](CC(F)(F)F)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001595039871 979218299 /nfs/dbraw/zinc/21/82/99/979218299.db2.gz WMVOOBKIJNFPQE-YJBOKZPZSA-N -1 3 386.414 3.201 20 0 GGADHM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001595049370 979271675 /nfs/dbraw/zinc/27/16/75/979271675.db2.gz AZLHEYZECMWJLB-MRXNPFEDSA-N -1 3 382.451 3.294 20 0 GGADHM Cc1nn(C)c2ncc(CN[C@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)cc12 ZINC000841796641 979312630 /nfs/dbraw/zinc/31/26/30/979312630.db2.gz SRBWIFDGYABHKI-HNNXBMFYSA-N -1 3 378.354 3.211 20 0 GGADHM C[C@@](CO)(NCCOc1cccc(C(=O)[O-])c1)c1cccc(Br)c1 ZINC001592750861 979317920 /nfs/dbraw/zinc/31/79/20/979317920.db2.gz WBQJBEXUEPCQHQ-SFHVURJKSA-N -1 3 394.265 3.023 20 0 GGADHM Cn1nc(C(F)(F)F)c(CNC[C@](C)(C(=O)[O-])c2ccccc2)c1Cl ZINC000844940262 979403903 /nfs/dbraw/zinc/40/39/03/979403903.db2.gz VLXJAIGVDIIBSG-HNNXBMFYSA-N -1 3 375.778 3.224 20 0 GGADHM Cn1nc(C(F)(F)F)c(CNC[C@@](C)(C(=O)[O-])c2ccccc2)c1Cl ZINC000844940263 979403922 /nfs/dbraw/zinc/40/39/22/979403922.db2.gz VLXJAIGVDIIBSG-OAHLLOKOSA-N -1 3 375.778 3.224 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000846244058 979421465 /nfs/dbraw/zinc/42/14/65/979421465.db2.gz SLJWXKZQDFCCFT-RHSMWYFYSA-N -1 3 387.398 3.491 20 0 GGADHM COc1ccc(OCc2nc(CN3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])cs2)cc1 ZINC000846278741 979445561 /nfs/dbraw/zinc/44/55/61/979445561.db2.gz SYMQQWIYRYWZDR-BOFPYLFWSA-N -1 3 388.489 3.416 20 0 GGADHM CCC(CC)N(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001595114331 979462775 /nfs/dbraw/zinc/46/27/75/979462775.db2.gz DIJUPTWQEVYWBX-UHFFFAOYSA-N -1 3 382.482 3.133 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001592837662 979582203 /nfs/dbraw/zinc/58/22/03/979582203.db2.gz BPOKVZCIVYZEGV-MOPGFXCFSA-N -1 3 384.879 3.055 20 0 GGADHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(C(=O)N3CCCC3)CC2)o1 ZINC000859782185 979628866 /nfs/dbraw/zinc/62/88/66/979628866.db2.gz VHDCWMFQLCJRNH-UHFFFAOYSA-N -1 3 382.460 3.479 20 0 GGADHM COc1cc(-c2ccccc2)ccc1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000859813612 979643524 /nfs/dbraw/zinc/64/35/24/979643524.db2.gz CYKJJTJGLJHMQQ-UHFFFAOYSA-N -1 3 392.459 3.489 20 0 GGADHM C[C@H](CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816367 979647246 /nfs/dbraw/zinc/64/72/46/979647246.db2.gz CHLAPOVCHYIOSW-DOMZBBRYSA-N -1 3 393.285 3.179 20 0 GGADHM C[C@H](Cc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1)C(=O)[O-] ZINC001592868180 979718512 /nfs/dbraw/zinc/71/85/12/979718512.db2.gz VVDSSMQHHVBANT-OXQOHEQNSA-N -1 3 383.492 3.244 20 0 GGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCc1ccccc1C(=O)[O-] ZINC000864172131 979803590 /nfs/dbraw/zinc/80/35/90/979803590.db2.gz PKKCRVPQWMSEEQ-TZIWHRDSSA-N -1 3 378.472 3.460 20 0 GGADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001592926068 979947674 /nfs/dbraw/zinc/94/76/74/979947674.db2.gz NSWCPXKTCGBOJQ-JOCHJYFZSA-N -1 3 395.507 3.059 20 0 GGADHM COc1ccc([C@H](NCc2cc(OC)c(OC)cc2SC)C(=O)[O-])cc1 ZINC000871883645 979984267 /nfs/dbraw/zinc/98/42/67/979984267.db2.gz UCCBGPLITLRFER-SFHVURJKSA-N -1 3 377.462 3.350 20 0 GGADHM CCc1[nH]nc(Cl)c1CN[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC000900041340 980238931 /nfs/dbraw/zinc/23/89/31/980238931.db2.gz KOSGJPMYZSLDHS-ZDUSSCGKSA-N -1 3 386.677 3.174 20 0 GGADHM CCc1[nH]nc(Cl)c1CN[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC000900041338 980239116 /nfs/dbraw/zinc/23/91/16/980239116.db2.gz KOSGJPMYZSLDHS-CYBMUJFWSA-N -1 3 386.677 3.174 20 0 GGADHM CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595282105 980341082 /nfs/dbraw/zinc/34/10/82/980341082.db2.gz UXMQEOPFNCJQIZ-AUUYWEPGSA-N -1 3 390.505 3.437 20 0 GGADHM COc1ccc(-c2ccccc2)cc1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000901523734 980345714 /nfs/dbraw/zinc/34/57/14/980345714.db2.gz GPJWCIQPIYXREN-UHFFFAOYSA-N -1 3 392.459 3.489 20 0 GGADHM C/C(=C/c1ccccc1OC(F)F)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524792 980347863 /nfs/dbraw/zinc/34/78/63/980347863.db2.gz GVOMVVXTVRCWGQ-CTXBLAANSA-N -1 3 392.406 3.318 20 0 GGADHM Cc1cc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1Oc1cccnc1 ZINC000901526338 980351362 /nfs/dbraw/zinc/35/13/62/980351362.db2.gz UUGZQFOSUYJHBI-QGZVFWFLSA-N -1 3 393.447 3.309 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(SC)cc1OC ZINC000901531364 980359293 /nfs/dbraw/zinc/35/92/93/980359293.db2.gz LMYJIRUQKGZXCK-LJQANCHMSA-N -1 3 389.473 3.276 20 0 GGADHM COc1cc(CN2CC[C@](OC)(C(=O)[O-])C2)ccc1OCc1cccs1 ZINC000901541618 980369918 /nfs/dbraw/zinc/36/99/18/980369918.db2.gz JDTQXXJZULUGTE-LJQANCHMSA-N -1 3 377.462 3.011 20 0 GGADHM CCOP(=O)(CCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1)OCC ZINC000901552855 980378386 /nfs/dbraw/zinc/37/83/86/980378386.db2.gz YRLAFRHLCLYSAF-UHFFFAOYSA-N -1 3 385.397 3.408 20 0 GGADHM CC[C@@](NCCS(=O)(=O)Cc1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595292164 980396955 /nfs/dbraw/zinc/39/69/55/980396955.db2.gz CRQNVZXFZKKJAL-IBGZPJMESA-N -1 3 395.908 3.235 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000901607248 980402564 /nfs/dbraw/zinc/40/25/64/980402564.db2.gz ODZODJQUINBIFB-VQHVLOKHSA-N -1 3 376.840 3.235 20 0 GGADHM CC[C@H](NCCn1cc(C(=O)[O-])nn1)c1ccc(Br)cc1Cl ZINC001595298166 980414256 /nfs/dbraw/zinc/41/42/56/980414256.db2.gz BHAMHFXWLYJFOT-LBPRGKRZSA-N -1 3 387.665 3.133 20 0 GGADHM Cn1cc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(-c2cccnc2)n1 ZINC000901652527 980430051 /nfs/dbraw/zinc/43/00/51/980430051.db2.gz DHTSEGPDTYEQPX-UHFFFAOYSA-N -1 3 386.402 3.237 20 0 GGADHM COCCN(CCC(=O)[O-])Cc1ccc(Br)cc1C(F)(F)F ZINC000901662456 980432106 /nfs/dbraw/zinc/43/21/06/980432106.db2.gz AYODCXBTJCBRQR-UHFFFAOYSA-N -1 3 384.192 3.391 20 0 GGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901683689 980448457 /nfs/dbraw/zinc/44/84/57/980448457.db2.gz YWLKMJZPMDALRL-INIZCTEOSA-N -1 3 393.434 3.223 20 0 GGADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901683690 980448639 /nfs/dbraw/zinc/44/86/39/980448639.db2.gz YWLKMJZPMDALRL-MRXNPFEDSA-N -1 3 393.434 3.223 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)c(C)c2)CC1 ZINC000901718448 980463370 /nfs/dbraw/zinc/46/33/70/980463370.db2.gz QUNAATFMJCABRA-TWGQIWQCSA-N -1 3 383.448 3.080 20 0 GGADHM COc1cccc([C@@H](N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])c1 ZINC000901753807 980484120 /nfs/dbraw/zinc/48/41/20/980484120.db2.gz GYKWQBCREHLTOF-KPZWWZAWSA-N -1 3 375.421 3.198 20 0 GGADHM COc1cccc([C@@H](N[C@H](C)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])c1 ZINC000901753808 980484185 /nfs/dbraw/zinc/48/41/85/980484185.db2.gz GYKWQBCREHLTOF-KZULUSFZSA-N -1 3 375.421 3.198 20 0 GGADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785054 980514685 /nfs/dbraw/zinc/51/46/85/980514685.db2.gz BRXLMMJHDJIUHI-QGZVFWFLSA-N -1 3 385.361 3.467 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901787758 980517592 /nfs/dbraw/zinc/51/75/92/980517592.db2.gz RITYOHWEOIZADD-SFHVURJKSA-N -1 3 381.398 3.387 20 0 GGADHM C[C@@H]1CN(c2ccccc2CN(C)Cc2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000901833119 980552350 /nfs/dbraw/zinc/55/23/50/980552350.db2.gz TWQFZLIJSOCNNO-QGZVFWFLSA-N -1 3 384.476 3.007 20 0 GGADHM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NCc1nccn1CC(F)(F)F ZINC000901843321 980564657 /nfs/dbraw/zinc/56/46/57/980564657.db2.gz OPWAOHAGFRKNLP-ZBFHGGJFSA-N -1 3 381.398 3.498 20 0 GGADHM COc1ccc([C@H](NCc2ccc(O[C@H]3CCOC3)cc2)C(=O)[O-])cc1Cl ZINC000901846346 980569373 /nfs/dbraw/zinc/56/93/73/980569373.db2.gz BSXMIKMWJOEFGO-LPHOPBHVSA-N -1 3 391.851 3.432 20 0 GGADHM COc1ccc([C@@H](NCc2cc(OC)c3c(c2)OCCO3)C(=O)[O-])cc1Cl ZINC000901846987 980570219 /nfs/dbraw/zinc/57/02/19/980570219.db2.gz DWRJGOXSRHIAQW-QGZVFWFLSA-N -1 3 393.823 3.044 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc2c1OCO2 ZINC000901848747 980573930 /nfs/dbraw/zinc/57/39/30/980573930.db2.gz NUPISHWOCRHWQT-INIZCTEOSA-N -1 3 379.796 3.001 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(N3CCCC3)nc2)C(=O)[O-])cc1Cl ZINC000901850556 980576223 /nfs/dbraw/zinc/57/62/23/980576223.db2.gz VMPOXOCKPJPEKG-GOSISDBHSA-N -1 3 375.856 3.259 20 0 GGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000902007066 980684739 /nfs/dbraw/zinc/68/47/39/980684739.db2.gz JHBWVUOJZPLQBX-XEZPLFJOSA-N -1 3 396.281 3.296 20 0 GGADHM CO[C@@H]1CCN(Cc2ccnc3c(Br)cccc23)[C@H](C(=O)[O-])C1 ZINC000902029608 980699515 /nfs/dbraw/zinc/69/95/15/980699515.db2.gz MOGILAQYUAWZDF-DOMZBBRYSA-N -1 3 379.254 3.061 20 0 GGADHM CO[C@@H]1CCN(Cc2ccc(Br)c3cccnc23)[C@H](C(=O)[O-])C1 ZINC000902031137 980702248 /nfs/dbraw/zinc/70/22/48/980702248.db2.gz HUILLRDNNQZKPK-DOMZBBRYSA-N -1 3 379.254 3.061 20 0 GGADHM CO[C@@H]1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@H](C(=O)[O-])C1 ZINC000902035224 980706609 /nfs/dbraw/zinc/70/66/09/980706609.db2.gz SDVXUJRKBJGVJL-SJORKVTESA-N -1 3 397.397 3.014 20 0 GGADHM Cc1cc(C)n(-c2ccc(CNCc3cc(C)c(OCC(=O)[O-])c(C)c3)cn2)n1 ZINC000902113987 980740997 /nfs/dbraw/zinc/74/09/97/980740997.db2.gz SGHHNLAVCSDYNH-UHFFFAOYSA-N -1 3 394.475 3.254 20 0 GGADHM C[C@H]1[C@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC[C@H]1CC(=O)[O-] ZINC000902138021 980752914 /nfs/dbraw/zinc/75/29/14/980752914.db2.gz GDXPNCQNIRVUDK-VDDIYKPWSA-N -1 3 390.793 3.381 20 0 GGADHM O=C([O-])c1cccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000902212128 980784876 /nfs/dbraw/zinc/78/48/76/980784876.db2.gz ZSDPWSZFVAUNBQ-AWEZNQCLSA-N -1 3 382.395 3.349 20 0 GGADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1c(C)nn(CCC(=O)[O-])c1C ZINC000902268527 980809051 /nfs/dbraw/zinc/80/90/51/980809051.db2.gz LCLMOUAOPMVSTN-BFUOFWGJSA-N -1 3 379.888 3.494 20 0 GGADHM CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1c(C)nn(CCC(=O)[O-])c1C ZINC000902268532 980809195 /nfs/dbraw/zinc/80/91/95/980809195.db2.gz LCLMOUAOPMVSTN-ORAYPTAESA-N -1 3 379.888 3.494 20 0 GGADHM CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902295825 980822255 /nfs/dbraw/zinc/82/22/55/980822255.db2.gz IFWFIQBUWYHVTK-WBVHZDCISA-N -1 3 377.462 3.090 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC2(CCc3ccccc3O2)CC1 ZINC000902343996 980843060 /nfs/dbraw/zinc/84/30/60/980843060.db2.gz TVYWNCGRCYXNFC-UHFFFAOYSA-N -1 3 383.492 3.334 20 0 GGADHM CCc1csc(CC2CCN(Cc3c(C)nn(CCC(=O)[O-])c3C)CC2)n1 ZINC000902376894 980861320 /nfs/dbraw/zinc/86/13/20/980861320.db2.gz QKIFKWDHIZJJDJ-UHFFFAOYSA-N -1 3 390.553 3.448 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1Cl ZINC000902386672 980865792 /nfs/dbraw/zinc/86/57/92/980865792.db2.gz BVVZUACJVDJPGR-SZVBFZGTSA-N -1 3 384.863 3.285 20 0 GGADHM CCC1(CC)[C@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C[C@@H]1OC ZINC001595374119 980880699 /nfs/dbraw/zinc/88/06/99/980880699.db2.gz UVMYWUGMXIAUHC-KGLIPLIRSA-N -1 3 380.510 3.057 20 0 GGADHM CN(CCc1ccc2c(c1)OCO2)[C@H](C(=O)[O-])c1ccccc1Br ZINC000903625945 981002355 /nfs/dbraw/zinc/00/23/55/981002355.db2.gz VQWRAFNDIWBGSQ-KRWDZBQOSA-N -1 3 392.249 3.478 20 0 GGADHM Cn1ccc([C@@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903630998 981007132 /nfs/dbraw/zinc/00/71/32/981007132.db2.gz JFQADFSSOXRCOC-CZUORRHYSA-N -1 3 378.270 3.188 20 0 GGADHM Cn1ccc([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631364 981007705 /nfs/dbraw/zinc/00/77/05/981007705.db2.gz RDOSFMFIBIXXFF-MLGOLLRUSA-N -1 3 378.270 3.188 20 0 GGADHM COc1cc(CN2CCC[C@@H]3COCC[C@H]32)c(Br)cc1C(=O)[O-] ZINC000903899346 981027938 /nfs/dbraw/zinc/02/79/38/981027938.db2.gz YGFREYLAUXURGM-IAQYHMDHSA-N -1 3 384.270 3.157 20 0 GGADHM Cc1cc(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)c(C)cc1I ZINC000903914905 981035884 /nfs/dbraw/zinc/03/58/84/981035884.db2.gz IBIYHURKWWIPLH-TZMCWYRMSA-N -1 3 387.261 3.451 20 0 GGADHM COc1cc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC(F)F ZINC000903926232 981044368 /nfs/dbraw/zinc/04/43/68/981044368.db2.gz ABMWYZVIPUZRIW-NSHDSACASA-N -1 3 384.404 3.441 20 0 GGADHM CCC1CCC([NH2+]Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)(C(=O)[O-])CC1 ZINC001595431618 981053707 /nfs/dbraw/zinc/05/37/07/981053707.db2.gz YXBDSTDSPNZTFB-UHFFFAOYSA-N -1 3 395.463 3.034 20 0 GGADHM CCC1CCC(NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)(C(=O)[O-])CC1 ZINC001595431618 981053710 /nfs/dbraw/zinc/05/37/10/981053710.db2.gz YXBDSTDSPNZTFB-UHFFFAOYSA-N -1 3 395.463 3.034 20 0 GGADHM COc1cc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)ccc1OC(F)F ZINC000903945032 981071011 /nfs/dbraw/zinc/07/10/11/981071011.db2.gz UOEMZOFCBIWSCS-SOUVJXGZSA-N -1 3 385.407 3.141 20 0 GGADHM Cn1cc([C@@H]2CSCCCN2Cc2ccc(C(=O)[O-])c3cccnc23)cn1 ZINC000903946524 981071922 /nfs/dbraw/zinc/07/19/22/981071922.db2.gz JARYFAQFRGFHRY-SFHVURJKSA-N -1 3 382.489 3.347 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CN[C@H](C(=O)[O-])c1cc(F)ccc1F)CC(F)F ZINC000904000436 981079621 /nfs/dbraw/zinc/07/96/21/981079621.db2.gz RESBICKMXFTIFC-YGRLFVJLSA-N -1 3 394.365 3.229 20 0 GGADHM Cc1cc(Br)c(CN[C@H]2C[C@@H](C(=O)[O-])C2)cc1Br ZINC000904052705 981083104 /nfs/dbraw/zinc/08/31/04/981083104.db2.gz FSRMZKJTZDUYHV-WAAGHKOSSA-N -1 3 377.076 3.473 20 0 GGADHM CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444678 981090002 /nfs/dbraw/zinc/09/00/02/981090002.db2.gz UIRULXHWENNLAL-CHWSQXEVSA-N -1 3 396.509 3.380 20 0 GGADHM CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444781 981090266 /nfs/dbraw/zinc/09/02/66/981090266.db2.gz UIRULXHWENNLAL-STQMWFEESA-N -1 3 396.509 3.380 20 0 GGADHM COc1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1OC(F)F ZINC000905748765 981135885 /nfs/dbraw/zinc/13/58/85/981135885.db2.gz IWZBPIBFPIFUMF-NSHDSACASA-N -1 3 384.404 3.441 20 0 GGADHM COc1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1OC(F)F ZINC000905748764 981136267 /nfs/dbraw/zinc/13/62/67/981136267.db2.gz IWZBPIBFPIFUMF-LLVKDONJSA-N -1 3 384.404 3.441 20 0 GGADHM Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905749714 981136941 /nfs/dbraw/zinc/13/69/41/981136941.db2.gz MTOOAPPCLVAQEN-CYBMUJFWSA-N -1 3 386.452 3.464 20 0 GGADHM O=C([O-])c1cccc2c(CNC3(c4ccc5c(c4)OCCO5)CC3)ccnc12 ZINC000905789416 981151141 /nfs/dbraw/zinc/15/11/41/981151141.db2.gz KFLCHJZLVISIBY-UHFFFAOYSA-N -1 3 376.412 3.483 20 0 GGADHM O=C([O-])c1ccc(CNCc2cccc(NS(=O)(=O)C3CC3)c2)cc1Cl ZINC000905798398 981156669 /nfs/dbraw/zinc/15/66/69/981156669.db2.gz RAOPSDTUOBLLDX-UHFFFAOYSA-N -1 3 394.880 3.232 20 0 GGADHM CC[C@H]1CN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484373 981219306 /nfs/dbraw/zinc/21/93/06/981219306.db2.gz QFUISKOYRFEVNH-UGKGYDQZSA-N -1 3 398.503 3.426 20 0 GGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484368 981219988 /nfs/dbraw/zinc/21/99/88/981219988.db2.gz QFUISKOYRFEVNH-KNQAVFIVSA-N -1 3 398.503 3.426 20 0 GGADHM O=C([O-])[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@H]1c1ccccc1 ZINC000907791846 981220303 /nfs/dbraw/zinc/22/03/03/981220303.db2.gz YEIRZFIBDIZQOH-SXWKCWPCSA-N -1 3 378.472 3.198 20 0 GGADHM CCc1ccc([C@H](CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)N(C)C)cc1 ZINC000907789696 981220476 /nfs/dbraw/zinc/22/04/76/981220476.db2.gz HXVJKBFGCDFFAB-SXWKCWPCSA-N -1 3 380.488 3.226 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000907798702 981222347 /nfs/dbraw/zinc/22/23/47/981222347.db2.gz IKEXYMLKGULDJY-QPPBQGQZSA-N -1 3 392.499 3.288 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC000907798704 981222392 /nfs/dbraw/zinc/22/23/92/981222392.db2.gz IKEXYMLKGULDJY-XUZZJYLKSA-N -1 3 392.499 3.288 20 0 GGADHM CC[C@H]1CN(Cn2nc(C(=O)[O-])c(Cl)c2C)CCN1Cc1ccccc1 ZINC001595490834 981243261 /nfs/dbraw/zinc/24/32/61/981243261.db2.gz GDBRBRIVTUAKAP-INIZCTEOSA-N -1 3 376.888 3.097 20 0 GGADHM CC[C@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H]1O ZINC001595490931 981243955 /nfs/dbraw/zinc/24/39/55/981243955.db2.gz IMWNXAGVFYQCIZ-ZUZCIYMTSA-N -1 3 384.263 3.080 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N3CCc4c3cccc4C(=O)[O-])cc2)CC1 ZINC000907985766 981251721 /nfs/dbraw/zinc/25/17/21/981251721.db2.gz WRZAIALRJDBNLG-UHFFFAOYSA-N -1 3 393.487 3.118 20 0 GGADHM CC[C@H]1Oc2cc([C@@H](C)NCc3cc(C(=O)[O-])c4n3CCCC4)ccc2NC1=O ZINC001595499501 981264674 /nfs/dbraw/zinc/26/46/74/981264674.db2.gz KIWNRKUAGJVKPL-BFUOFWGJSA-N -1 3 397.475 3.483 20 0 GGADHM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000908593170 981325490 /nfs/dbraw/zinc/32/54/90/981325490.db2.gz BHXNZURSQGYKKJ-FQEVSTJZSA-N -1 3 382.460 3.237 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908898658 981384867 /nfs/dbraw/zinc/38/48/67/981384867.db2.gz PKPSSPALHQRBEX-PZJWPPBQSA-N -1 3 396.462 3.076 20 0 GGADHM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908900798 981385467 /nfs/dbraw/zinc/38/54/67/981385467.db2.gz LQJLQDMAJTUGIC-LJQANCHMSA-N -1 3 384.451 3.151 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000909137698 981425818 /nfs/dbraw/zinc/42/58/18/981425818.db2.gz VQWAKCGXVCPDNB-UHFFFAOYSA-N -1 3 395.503 3.187 20 0 GGADHM CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595573790 981489906 /nfs/dbraw/zinc/48/99/06/981489906.db2.gz URGSWCYLPXYXED-TVQRCGJNSA-N -1 3 377.268 3.017 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000909452562 981495855 /nfs/dbraw/zinc/49/58/55/981495855.db2.gz FOPUYWIYUMOUND-LJQANCHMSA-N -1 3 396.462 3.321 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000909452561 981495932 /nfs/dbraw/zinc/49/59/32/981495932.db2.gz FOPUYWIYUMOUND-IBGZPJMESA-N -1 3 396.462 3.321 20 0 GGADHM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000909518976 981525285 /nfs/dbraw/zinc/52/52/85/981525285.db2.gz FPMNMUTWCADKBM-LPHOPBHVSA-N -1 3 381.476 3.196 20 0 GGADHM C[C@H](C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000909538283 981536236 /nfs/dbraw/zinc/53/62/36/981536236.db2.gz QOCDDCQQQIIEJA-HCLVMJGWSA-N -1 3 386.536 3.479 20 0 GGADHM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000909629869 981557864 /nfs/dbraw/zinc/55/78/64/981557864.db2.gz XNCAVDWXMCYSRK-UHFFFAOYSA-N -1 3 396.487 3.352 20 0 GGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000909768430 981611545 /nfs/dbraw/zinc/61/15/45/981611545.db2.gz RSDKQPMKMCRGMR-GOSISDBHSA-N -1 3 384.398 3.152 20 0 GGADHM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000909832172 981649868 /nfs/dbraw/zinc/64/98/68/981649868.db2.gz FKCCBODTPSIEFL-KRWDZBQOSA-N -1 3 381.476 3.026 20 0 GGADHM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000909835779 981655732 /nfs/dbraw/zinc/65/57/32/981655732.db2.gz VZHHABMLMIUFDI-MRXNPFEDSA-N -1 3 396.487 3.331 20 0 GGADHM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000909835778 981655784 /nfs/dbraw/zinc/65/57/84/981655784.db2.gz VZHHABMLMIUFDI-INIZCTEOSA-N -1 3 396.487 3.331 20 0 GGADHM CCC[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595619986 981684110 /nfs/dbraw/zinc/68/41/10/981684110.db2.gz SSNUZUZEOXFYQO-SUMWQHHRSA-N -1 3 376.453 3.011 20 0 GGADHM O=C([O-])c1occc1CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000909962622 981715793 /nfs/dbraw/zinc/71/57/93/981715793.db2.gz NWXGIXBLYPHNLE-SFHVURJKSA-N -1 3 396.365 3.049 20 0 GGADHM CCC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Br)CCN1CCOC ZINC001595624920 981740219 /nfs/dbraw/zinc/74/02/19/981740219.db2.gz JXZWWGQKVMTPRT-INIZCTEOSA-N -1 3 399.329 3.080 20 0 GGADHM CCC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CCN1CCOC ZINC001595625307 981747057 /nfs/dbraw/zinc/74/70/57/981747057.db2.gz RYEXWYXJZXMGMP-INIZCTEOSA-N -1 3 388.430 3.336 20 0 GGADHM CCC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Br)c2)CCN1CCOC ZINC001595625695 981751286 /nfs/dbraw/zinc/75/12/86/981751286.db2.gz YECDPNNXUXYWOU-IAGOWNOFSA-N -1 3 399.329 3.008 20 0 GGADHM CCC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Br)c2)CCN1CCOC ZINC001595625697 981751702 /nfs/dbraw/zinc/75/17/02/981751702.db2.gz YECDPNNXUXYWOU-SJORKVTESA-N -1 3 399.329 3.008 20 0 GGADHM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1cccc(CN3CCCC3)c1)CC2 ZINC000910386526 981909785 /nfs/dbraw/zinc/90/97/85/981909785.db2.gz ZDLGGUPACXMTKQ-UHFFFAOYSA-N -1 3 394.471 3.188 20 0 GGADHM CCCC[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC001595639358 981958644 /nfs/dbraw/zinc/95/86/44/981958644.db2.gz WWVIXSRYKJBKPD-GOSISDBHSA-N -1 3 376.497 3.420 20 0 GGADHM C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[C@H]1CC(=O)[O-] ZINC000910861476 982150504 /nfs/dbraw/zinc/15/05/04/982150504.db2.gz PUYJGWJFQFMDDK-OGWOLHLISA-N -1 3 398.425 3.010 20 0 GGADHM C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[C@H]1CC(=O)[O-] ZINC000910861475 982150559 /nfs/dbraw/zinc/15/05/59/982150559.db2.gz PUYJGWJFQFMDDK-IDHHARJASA-N -1 3 398.425 3.010 20 0 GGADHM O=C([O-])c1cnc([C@H]2CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)s1 ZINC000911047185 982212090 /nfs/dbraw/zinc/21/20/90/982212090.db2.gz RQBBGKLOQYYGOA-KRWDZBQOSA-N -1 3 399.516 3.457 20 0 GGADHM CCCCCC[C@](O)(CN1CCC(O)(c2c(F)cccc2F)CC1)C(=O)[O-] ZINC001595696461 982229899 /nfs/dbraw/zinc/22/98/99/982229899.db2.gz JCHWCQUIVFQDQH-FQEVSTJZSA-N -1 3 385.451 3.034 20 0 GGADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C1CC1 ZINC001594880886 982232345 /nfs/dbraw/zinc/23/23/45/982232345.db2.gz GPSDCCONOFRYDH-QWHCGFSZSA-N -1 3 376.453 3.009 20 0 GGADHM CCCCCC[C@](O)(CN1CCN([C@H](C)c2ccc(F)cc2F)CC1)C(=O)[O-] ZINC001595696733 982233418 /nfs/dbraw/zinc/23/34/18/982233418.db2.gz LJMMOCHRXLWNNV-IERDGZPVSA-N -1 3 398.494 3.430 20 0 GGADHM COc1ccc([C@H](CNC(=O)CCc2ccccc2C(=O)[O-])N2CCCC2)cc1 ZINC000911096598 982233882 /nfs/dbraw/zinc/23/38/82/982233882.db2.gz GLAWHQHQQARYJR-NRFANRHFSA-N -1 3 396.487 3.279 20 0 GGADHM COc1ccc([C@@H](CNC(=O)CCc2ccccc2C(=O)[O-])N2CCCC2)cc1 ZINC000911096599 982234046 /nfs/dbraw/zinc/23/40/46/982234046.db2.gz GLAWHQHQQARYJR-OAQYLSRUSA-N -1 3 396.487 3.279 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3F)c(C)c2)CC1 ZINC000911100878 982236877 /nfs/dbraw/zinc/23/68/77/982236877.db2.gz XWAGNAUIQUBDES-UHFFFAOYSA-N -1 3 385.439 3.227 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C)C(=O)[O-] ZINC000911105332 982239582 /nfs/dbraw/zinc/23/95/82/982239582.db2.gz USRZUKZFIVGBOP-WBVHZDCISA-N -1 3 386.517 3.155 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001594881486 982240894 /nfs/dbraw/zinc/24/08/94/982240894.db2.gz RTGMJLHQNUQMMI-ZYHUDNBSSA-N -1 3 396.509 3.379 20 0 GGADHM CCN(CC)[C@H](CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1cccc(OC)c1 ZINC000911131932 982252386 /nfs/dbraw/zinc/25/23/86/982252386.db2.gz BRYWTLQEDFMJMV-GOSISDBHSA-N -1 3 388.508 3.229 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000911164136 982263494 /nfs/dbraw/zinc/26/34/94/982263494.db2.gz AMBRXYJVIGOHDY-UHFFFAOYSA-N -1 3 380.488 3.360 20 0 GGADHM O=C([O-])c1cn(CC(=O)N2CCN(CC3CCCCC3)CC2)c2ccccc12 ZINC000911166390 982264314 /nfs/dbraw/zinc/26/43/14/982264314.db2.gz GMYHEGJYZIBECM-UHFFFAOYSA-N -1 3 383.492 3.064 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001595711928 982302349 /nfs/dbraw/zinc/30/23/49/982302349.db2.gz FCZXTCMOYGGSQW-INIZCTEOSA-N -1 3 375.513 3.499 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000911238486 982306782 /nfs/dbraw/zinc/30/67/82/982306782.db2.gz QFFLUWWGSWUZHB-UHFFFAOYSA-N -1 3 397.450 3.138 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264005 982322852 /nfs/dbraw/zinc/32/28/52/982322852.db2.gz SERMSNZCIJPDGQ-SJLPKXTDSA-N -1 3 391.471 3.291 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911300412 982331193 /nfs/dbraw/zinc/33/11/93/982331193.db2.gz MXFPIKOTLZHPRY-UHFFFAOYSA-N -1 3 380.366 3.006 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911300008 982331386 /nfs/dbraw/zinc/33/13/86/982331386.db2.gz DRQOHXILLKWRIZ-CLFYSBASSA-N -1 3 376.840 3.235 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911300458 982331526 /nfs/dbraw/zinc/33/15/26/982331526.db2.gz MDUGLGDXBDGMHA-UHFFFAOYSA-N -1 3 378.831 3.381 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911300009 982331668 /nfs/dbraw/zinc/33/16/68/982331668.db2.gz DRQOHXILLKWRIZ-VQHVLOKHSA-N -1 3 376.840 3.235 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911301025 982332299 /nfs/dbraw/zinc/33/22/99/982332299.db2.gz WIRMWBCZMNTLQQ-UHFFFAOYSA-N -1 3 380.366 3.006 20 0 GGADHM O=C([O-])Cc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000911321951 982345251 /nfs/dbraw/zinc/34/52/51/982345251.db2.gz FWFTZSPCFPQPAF-UHFFFAOYSA-N -1 3 384.501 3.157 20 0 GGADHM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000911323368 982346921 /nfs/dbraw/zinc/34/69/21/982346921.db2.gz UBPNVUSBSPFDST-UHFFFAOYSA-N -1 3 388.489 3.059 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000911376273 982392131 /nfs/dbraw/zinc/39/21/31/982392131.db2.gz GLBJSHSILMUYHL-UHFFFAOYSA-N -1 3 376.522 3.175 20 0 GGADHM C[C@@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])N(C)Cc1ccccc1 ZINC000911377336 982394730 /nfs/dbraw/zinc/39/47/30/982394730.db2.gz PUIQIYXHIAKZHU-HNNXBMFYSA-N -1 3 379.460 3.045 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3cc4[nH]ccc4c(C(=O)[O-])c3)cc2)CC1 ZINC000911387326 982412198 /nfs/dbraw/zinc/41/21/98/982412198.db2.gz QAMHXBMHBJOFQZ-UHFFFAOYSA-N -1 3 392.459 3.260 20 0 GGADHM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000911501770 982459171 /nfs/dbraw/zinc/45/91/71/982459171.db2.gz WXFFSNPQFXJSAC-GOSISDBHSA-N -1 3 380.488 3.440 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000911533135 982479474 /nfs/dbraw/zinc/47/94/74/982479474.db2.gz HYMQIAVRTNOEMJ-UHFFFAOYSA-N -1 3 376.497 3.011 20 0 GGADHM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H](c1ccccc1)N(C)C ZINC000911545272 982487877 /nfs/dbraw/zinc/48/78/77/982487877.db2.gz IEJVKSANBIXLQX-YCRPNKLZSA-N -1 3 379.460 3.147 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)CCc3ccccc3C(=O)[O-])c2)CC1 ZINC000911552097 982493319 /nfs/dbraw/zinc/49/33/19/982493319.db2.gz BIZJVRJAUPVSGB-UHFFFAOYSA-N -1 3 381.476 3.098 20 0 GGADHM CS[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@H]1N(C)C ZINC000911602662 982534842 /nfs/dbraw/zinc/53/48/42/982534842.db2.gz KICJCLASGVQBTG-MOPGFXCFSA-N -1 3 384.501 3.169 20 0 GGADHM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(CN2CCCCC2)c1)c1ccccn1 ZINC000911617878 982555866 /nfs/dbraw/zinc/55/58/66/982555866.db2.gz WQVSBACDOZCVNW-QFIPXVFZSA-N -1 3 381.476 3.187 20 0 GGADHM CC[C@@H](C)[C@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594930971 982558297 /nfs/dbraw/zinc/55/82/97/982558297.db2.gz DYKSONWLZTYTRH-CXAGYDPISA-N -1 3 376.453 3.011 20 0 GGADHM CC[C@@H](C)[C@@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594930972 982559277 /nfs/dbraw/zinc/55/92/77/982559277.db2.gz DYKSONWLZTYTRH-DYVFJYSZSA-N -1 3 376.453 3.011 20 0 GGADHM CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931820 982570648 /nfs/dbraw/zinc/57/06/48/982570648.db2.gz XJKJPCBXHMMULT-HRAATJIYSA-N -1 3 384.524 3.159 20 0 GGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000911653445 982583768 /nfs/dbraw/zinc/58/37/68/982583768.db2.gz CPRAQTJCPPOWQB-LJQANCHMSA-N -1 3 388.508 3.374 20 0 GGADHM COc1ccc([C@H](CN2CCCC2)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000911656095 982585351 /nfs/dbraw/zinc/58/53/51/982585351.db2.gz VSFLRTGCYHMGAI-NRFANRHFSA-N -1 3 396.487 3.279 20 0 GGADHM O=C([O-])CC1(CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000911670397 982597052 /nfs/dbraw/zinc/59/70/52/982597052.db2.gz VDBHQEIJMXQBHJ-UHFFFAOYSA-N -1 3 390.446 3.333 20 0 GGADHM O=C([O-])c1ccc(CCC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000911670282 982597058 /nfs/dbraw/zinc/59/70/58/982597058.db2.gz SJVMWQUVTQKUAG-UHFFFAOYSA-N -1 3 398.425 3.239 20 0 GGADHM CC[C@H](C)C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001594939936 982612082 /nfs/dbraw/zinc/61/20/82/982612082.db2.gz VZFMLZVOIOWYCJ-BHYGNILZSA-N -1 3 382.451 3.149 20 0 GGADHM CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000911741678 982623969 /nfs/dbraw/zinc/62/39/69/982623969.db2.gz OCKJDRFHUWCGAX-SFHVURJKSA-N -1 3 396.572 3.132 20 0 GGADHM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911773849 982642511 /nfs/dbraw/zinc/64/25/11/982642511.db2.gz OWFREFVMLBHRET-TYCQWZJGSA-N -1 3 398.478 3.411 20 0 GGADHM CC[C@@H](C(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911774554 982642695 /nfs/dbraw/zinc/64/26/95/982642695.db2.gz RSBDFBCPDKXQGC-HSALFYBXSA-N -1 3 384.451 3.021 20 0 GGADHM O=C([O-])CCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911774542 982642807 /nfs/dbraw/zinc/64/28/07/982642807.db2.gz RISGFNPMEUHTTG-VQTJNVASSA-N -1 3 384.451 3.165 20 0 GGADHM CCCN(C(=O)Nc1cc(C(=O)[O-])nn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595823111 982697993 /nfs/dbraw/zinc/69/79/93/982697993.db2.gz SMMDWMPPLNBRKT-QGZVFWFLSA-N -1 3 399.495 3.027 20 0 GGADHM Cc1sc(C(=O)[O-])cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000923097129 982722067 /nfs/dbraw/zinc/72/20/67/982722067.db2.gz XLHULDDKHNHNBH-UHFFFAOYSA-N -1 3 387.505 3.296 20 0 GGADHM C[C@@H](C(=O)NCCc1ccccc1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000923125597 982744127 /nfs/dbraw/zinc/74/41/27/982744127.db2.gz DEKNUTLARZWVAC-SFHVURJKSA-N -1 3 394.515 3.387 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595836706 982744274 /nfs/dbraw/zinc/74/42/74/982744274.db2.gz KDBXAWNDLNVWAQ-KRWDZBQOSA-N -1 3 375.856 3.246 20 0 GGADHM CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001595846510 982773713 /nfs/dbraw/zinc/77/37/13/982773713.db2.gz UUASBBTWUDWJMF-LNLFQRSKSA-N -1 3 382.545 3.052 20 0 GGADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001595862784 982800049 /nfs/dbraw/zinc/80/00/49/982800049.db2.gz LJFLYWQICCIKBH-ZDUSSCGKSA-N -1 3 390.402 3.299 20 0 GGADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC001595863160 982805990 /nfs/dbraw/zinc/80/59/90/982805990.db2.gz VGELFVFTSKSHBJ-CYBMUJFWSA-N -1 3 390.402 3.299 20 0 GGADHM O=C([O-])[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C1CC1 ZINC000923528260 982857291 /nfs/dbraw/zinc/85/72/91/982857291.db2.gz PSTSGSZSBIMPFV-NWDGAFQWSA-N -1 3 390.789 3.340 20 0 GGADHM C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923532403 982865001 /nfs/dbraw/zinc/86/50/01/982865001.db2.gz RTNQOZHPQAKUDQ-RRQGHBQHSA-N -1 3 391.537 3.240 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccco1 ZINC001594994676 982881278 /nfs/dbraw/zinc/88/12/78/982881278.db2.gz OTMHRLFNBDIAGV-KSSFIOAISA-N -1 3 385.464 3.175 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccco1 ZINC001594994671 982881895 /nfs/dbraw/zinc/88/18/95/982881895.db2.gz ORUXFHJVDJRLKC-LRDDRELGSA-N -1 3 377.416 3.046 20 0 GGADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccco1 ZINC001594995376 982894132 /nfs/dbraw/zinc/89/41/32/982894132.db2.gz WNWBPLRYPQXBSG-IUODEOHRSA-N -1 3 375.425 3.237 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccco1 ZINC001594995378 982894430 /nfs/dbraw/zinc/89/44/30/982894430.db2.gz WNWBPLRYPQXBSG-WFASDCNBSA-N -1 3 375.425 3.237 20 0 GGADHM CCCN(CCc1cn(CC(=O)[O-])nn1)[C@H](C)c1ccccc1Br ZINC001595884440 982906673 /nfs/dbraw/zinc/90/66/73/982906673.db2.gz YHDBHZKAUMMWAW-CYBMUJFWSA-N -1 3 395.301 3.141 20 0 GGADHM CC[C@H](C)Sc1ccc(NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c(C)c1 ZINC001595006628 982924126 /nfs/dbraw/zinc/92/41/26/982924126.db2.gz YTVKTDZUQBMZGV-GJZGRUSLSA-N -1 3 379.526 3.366 20 0 GGADHM CCCOc1ccc(CNC(=O)CN[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001595956041 983144643 /nfs/dbraw/zinc/14/46/43/983144643.db2.gz CYGRWBYYAUSABG-NRFANRHFSA-N -1 3 376.497 3.105 20 0 GGADHM CCCc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596029445 983295243 /nfs/dbraw/zinc/29/52/43/983295243.db2.gz LOVYTNJSNSGWNF-QGZVFWFLSA-N -1 3 383.492 3.320 20 0 GGADHM CCCc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596029443 983295394 /nfs/dbraw/zinc/29/53/94/983295394.db2.gz LOVYTNJSNSGWNF-KRWDZBQOSA-N -1 3 383.492 3.320 20 0 GGADHM CCCc1c(C(=O)NCC2CCN(Cc3ccncc3)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596037760 983322676 /nfs/dbraw/zinc/32/26/76/983322676.db2.gz MWLKHIIIQKVAHS-UHFFFAOYSA-N -1 3 398.507 3.011 20 0 GGADHM CCCc1c(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045447 983333508 /nfs/dbraw/zinc/33/35/08/983333508.db2.gz ONWMQOHMFCYMEL-UHFFFAOYSA-N -1 3 398.507 3.368 20 0 GGADHM CCCn1cc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c(C)n1 ZINC001596116700 983448529 /nfs/dbraw/zinc/44/85/29/983448529.db2.gz NBGCJFTUFMBCLE-QGZVFWFLSA-N -1 3 380.286 3.454 20 0 GGADHM CCN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596157663 983518963 /nfs/dbraw/zinc/51/89/63/983518963.db2.gz CQNAHXQITCIFII-LJQANCHMSA-N -1 3 397.475 3.278 20 0 GGADHM CCN(C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])[C@@H]1CCN(C)C1 ZINC001596159178 983523087 /nfs/dbraw/zinc/52/30/87/983523087.db2.gz YVAINSZINCIWTP-CYBMUJFWSA-N -1 3 385.917 3.465 20 0 GGADHM CCN(C)c1ccc(CN(CC(=O)[O-])Cc2cccc(Br)c2)cn1 ZINC001596194222 983576933 /nfs/dbraw/zinc/57/69/33/983576933.db2.gz FPXLQPAUTFBRML-UHFFFAOYSA-N -1 3 392.297 3.387 20 0 GGADHM CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596208374 983598241 /nfs/dbraw/zinc/59/82/41/983598241.db2.gz SQSBZWBJQWUGAU-HXUWFJFHSA-N -1 3 395.503 3.228 20 0 GGADHM CCN(CC)C(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001596242612 983642547 /nfs/dbraw/zinc/64/25/47/983642547.db2.gz YICBNBLLZDPAGB-MRXNPFEDSA-N -1 3 397.313 3.155 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccsc1 ZINC001596254572 983664151 /nfs/dbraw/zinc/66/41/51/983664151.db2.gz UKGPZUIOFRTBQY-SFHVURJKSA-N -1 3 389.521 3.258 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccsc1 ZINC001596254591 983664154 /nfs/dbraw/zinc/66/41/54/983664154.db2.gz VBSBYJJKBCSSJE-CYBMUJFWSA-N -1 3 394.497 3.052 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1cc(F)cc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC001596254589 983664183 /nfs/dbraw/zinc/66/41/83/983664183.db2.gz VATKYYDZBVBYMM-IBGZPJMESA-N -1 3 388.439 3.345 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccsc1 ZINC001596254687 983664487 /nfs/dbraw/zinc/66/44/87/983664487.db2.gz XNQYALSHYKPWQR-DGCLKSJQSA-N -1 3 396.538 3.346 20 0 GGADHM CCN(CCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)CC(F)(F)F ZINC001596326962 983761264 /nfs/dbraw/zinc/76/12/64/983761264.db2.gz NWLOEXHWOJKAOX-HNNXBMFYSA-N -1 3 387.446 3.170 20 0 GGADHM CCN1CC[C@@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596410638 984002977 /nfs/dbraw/zinc/00/29/77/984002977.db2.gz SEHMWZMQOKFOQY-CRAIPNDOSA-N -1 3 379.382 3.122 20 0 GGADHM CCN1CC[C@@H](NCc2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410626 984003343 /nfs/dbraw/zinc/00/33/43/984003343.db2.gz RPNCHPQTNXDDKT-QZTJIDSGSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CCN(Cc2ccc(NCc3cc(C(=O)[O-])c4n3CCCC4)cc2)CC1 ZINC001596436391 984119280 /nfs/dbraw/zinc/11/92/80/984119280.db2.gz OZKAPOSYRUMCFJ-UHFFFAOYSA-N -1 3 396.535 3.272 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3ccsc3CC(=O)[O-])c(C)c2)CC1 ZINC001596442401 984136538 /nfs/dbraw/zinc/13/65/38/984136538.db2.gz SELFBCZLOATMSW-UHFFFAOYSA-N -1 3 387.505 3.078 20 0 GGADHM CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC001596551167 984412607 /nfs/dbraw/zinc/41/26/07/984412607.db2.gz FLJCJDUSWIGCBR-YOEHRIQHSA-N -1 3 384.270 3.359 20 0 GGADHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617214 984588011 /nfs/dbraw/zinc/58/80/11/984588011.db2.gz MMQLNUDYWWZQHU-GDBMZVCRSA-N -1 3 387.432 3.187 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599891255 984696759 /nfs/dbraw/zinc/69/67/59/984696759.db2.gz PJGWJPSGJXMRON-DUXKGJEZSA-N -1 3 395.503 3.017 20 0 GGADHM C/C(=C\CN(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588958647 984714761 /nfs/dbraw/zinc/71/47/61/984714761.db2.gz PFOCJNOLCZCLMH-LZYBPNLTSA-N -1 3 389.496 3.314 20 0 GGADHM C/C(=C\CN1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959405 984723400 /nfs/dbraw/zinc/72/34/00/984723400.db2.gz YJQSTHRIQKMILQ-BYDLAGSTSA-N -1 3 380.407 3.042 20 0 GGADHM C/C(=C\CN1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959413 984724213 /nfs/dbraw/zinc/72/42/13/984724213.db2.gz YJQSTHRIQKMILQ-NRBOULDASA-N -1 3 380.407 3.042 20 0 GGADHM CCOC(=O)c1[nH]c2ccc(C)cc2c1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001596690972 984799339 /nfs/dbraw/zinc/79/93/39/984799339.db2.gz AWSHNCHROJKUQF-OAHLLOKOSA-N -1 3 388.464 3.109 20 0 GGADHM C[C@H]1CC[C@@](NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)(C(=O)[O-])CC1 ZINC001599908545 984954796 /nfs/dbraw/zinc/95/47/96/984954796.db2.gz DTGCRXPPWMNOMG-UJYYRWPFSA-N -1 3 383.370 3.477 20 0 GGADHM CCOC(=O)c1cnn(C2CCN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)c1C ZINC001596745080 985063784 /nfs/dbraw/zinc/06/37/84/985063784.db2.gz YQXIJSAVTUQPMQ-AWEZNQCLSA-N -1 3 389.452 3.366 20 0 GGADHM C[C@H]1CN(C(=O)NCCNC(c2ccccc2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599920369 985123387 /nfs/dbraw/zinc/12/33/87/985123387.db2.gz XMWSDORHHFZKPV-FXAWDEMLSA-N -1 3 395.503 3.118 20 0 GGADHM CCOC(=O)c1sc([C@H]2CCN(Cc3cc(C(=O)[O-])oc3C)C2)nc1C ZINC001596755561 985128723 /nfs/dbraw/zinc/12/87/23/985128723.db2.gz AKAYTGSKZKVTTC-LBPRGKRZSA-N -1 3 378.450 3.217 20 0 GGADHM CCOC(=O)c1sc([C@@H]2CCN(Cc3cc(C(=O)[O-])oc3C)C2)nc1C ZINC001596755560 985128890 /nfs/dbraw/zinc/12/88/90/985128890.db2.gz AKAYTGSKZKVTTC-GFCCVEGCSA-N -1 3 378.450 3.217 20 0 GGADHM CCOC(=O)c1sc(C2CCN([C@H](C(=O)[O-])c3cccnc3)CC2)nc1C ZINC001596756673 985137114 /nfs/dbraw/zinc/13/71/14/985137114.db2.gz XZPABDLAYNHVRU-HNNXBMFYSA-N -1 3 389.477 3.029 20 0 GGADHM C[C@@H]1CN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C[C@H](C)N1C ZINC001599932465 985339319 /nfs/dbraw/zinc/33/93/19/985339319.db2.gz YHFQJYAASJAQRV-PHIMTYICSA-N -1 3 378.270 3.224 20 0 GGADHM C[C@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001599937394 985412625 /nfs/dbraw/zinc/41/26/25/985412625.db2.gz OPCCJONVDLGLGD-ADSMDIBLSA-N -1 3 385.382 3.413 20 0 GGADHM C[C@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001599937398 985412809 /nfs/dbraw/zinc/41/28/09/985412809.db2.gz OPCCJONVDLGLGD-YYWXWVFPSA-N -1 3 385.382 3.413 20 0 GGADHM CC(=O)NCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001589145993 985462046 /nfs/dbraw/zinc/46/20/46/985462046.db2.gz MVNFLABVDUCGRA-KRWDZBQOSA-N -1 3 380.366 3.257 20 0 GGADHM CC(=O)NCc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001589146128 985463588 /nfs/dbraw/zinc/46/35/88/985463588.db2.gz VFXYPSNSARTBOP-KRWDZBQOSA-N -1 3 380.366 3.257 20 0 GGADHM CCO[C@H]1C[C@](NCc2nc3cc(Br)ccc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838498 985506808 /nfs/dbraw/zinc/50/68/08/985506808.db2.gz SRGGSISYZZKDOT-GUYCJALGSA-N -1 3 396.285 3.073 20 0 GGADHM CC(=O)Nc1ccc2c(CN[C@H](C(=O)[O-])c3ccc(C)c(C)c3)cc(=O)oc2c1 ZINC001589204298 985659815 /nfs/dbraw/zinc/65/98/15/985659815.db2.gz TYMZGFZFTJVQOM-NRFANRHFSA-N -1 3 394.427 3.284 20 0 GGADHM CCOCCCN(Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@H](C)C(=O)[O-] ZINC001596914773 985932678 /nfs/dbraw/zinc/93/26/78/985932678.db2.gz JFBXSSYFYJLHPU-ZDUSSCGKSA-N -1 3 391.434 3.188 20 0 GGADHM CCOCCCN(Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@@H](C)C(=O)[O-] ZINC001596914772 985933718 /nfs/dbraw/zinc/93/37/18/985933718.db2.gz JFBXSSYFYJLHPU-CYBMUJFWSA-N -1 3 391.434 3.188 20 0 GGADHM CCOCN(C(=O)CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1c(C)cccc1CC ZINC001596945915 986089790 /nfs/dbraw/zinc/08/97/90/986089790.db2.gz UFRRWCQAQKABIC-GCJKJVERSA-N -1 3 388.508 3.214 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542711 986188447 /nfs/dbraw/zinc/18/84/47/986188447.db2.gz RYYBGXCFXJWEGY-JXFKEZNVSA-N -1 3 381.476 3.047 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542712 986188559 /nfs/dbraw/zinc/18/85/59/986188559.db2.gz RYYBGXCFXJWEGY-OXJNMPFZSA-N -1 3 381.476 3.047 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543206 986193931 /nfs/dbraw/zinc/19/39/31/986193931.db2.gz ZJBGEWUTUIHQHN-HNAYVOBHSA-N -1 3 396.491 3.093 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543204 986194081 /nfs/dbraw/zinc/19/40/81/986194081.db2.gz ZJBGEWUTUIHQHN-BEFAXECRSA-N -1 3 396.491 3.093 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543207 986194143 /nfs/dbraw/zinc/19/41/43/986194143.db2.gz ZJBGEWUTUIHQHN-KXBFYZLASA-N -1 3 396.491 3.093 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN([C@@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543914 986195668 /nfs/dbraw/zinc/19/56/68/986195668.db2.gz CPTRPAKDJYVSJX-ODOSVJCGSA-N -1 3 398.478 3.317 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN([C@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543905 986195873 /nfs/dbraw/zinc/19/58/73/986195873.db2.gz CPTRPAKDJYVSJX-FRGLQRNOSA-N -1 3 398.478 3.317 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544151 986197410 /nfs/dbraw/zinc/19/74/10/986197410.db2.gz DLIBFSAICMBRLH-KKSFZXQISA-N -1 3 386.517 3.312 20 0 GGADHM C[C@@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H](C)CN1Cc1ccccc1 ZINC001594548412 986239099 /nfs/dbraw/zinc/23/90/99/986239099.db2.gz ULBACGZACXSVJD-CVEARBPZSA-N -1 3 378.476 3.356 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001589349722 986301957 /nfs/dbraw/zinc/30/19/57/986301957.db2.gz KGEDCYPIYUVYQF-MAUKXSAKSA-N -1 3 383.492 3.059 20 0 GGADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC001597014154 986359831 /nfs/dbraw/zinc/35/98/31/986359831.db2.gz CHPDZKNGLJQQCQ-UHFFFAOYSA-N -1 3 391.493 3.441 20 0 GGADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001597016964 986388818 /nfs/dbraw/zinc/38/88/18/986388818.db2.gz OQPURWCIYMAFDD-QGZVFWFLSA-N -1 3 389.427 3.347 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC001594570644 986393550 /nfs/dbraw/zinc/39/35/50/986393550.db2.gz SQNMNGXLENIKTP-YWZLYKJASA-N -1 3 388.895 3.152 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC001594570641 986394511 /nfs/dbraw/zinc/39/45/11/986394511.db2.gz SQNMNGXLENIKTP-MGPUTAFESA-N -1 3 388.895 3.152 20 0 GGADHM CCOc1cc(CN2CC[C@@H](C)[C@@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030409 986444050 /nfs/dbraw/zinc/44/40/50/986444050.db2.gz AKAIFKHRTRVMCC-PBHICJAKSA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN2CC[C@H](C)[C@@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030412 986444478 /nfs/dbraw/zinc/44/44/78/986444478.db2.gz AKAIFKHRTRVMCC-YOEHRIQHSA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN2CCC[C@@H](O)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031897 986452282 /nfs/dbraw/zinc/45/22/82/986452282.db2.gz OZXZGOIOPWDLTK-MRXNPFEDSA-N -1 3 389.448 3.302 20 0 GGADHM CCOc1cc(CN2CCC[C@H](O)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031896 986452685 /nfs/dbraw/zinc/45/26/85/986452685.db2.gz OZXZGOIOPWDLTK-INIZCTEOSA-N -1 3 389.448 3.302 20 0 GGADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1O ZINC001597036004 986474562 /nfs/dbraw/zinc/47/45/62/986474562.db2.gz SFUOQUXFIGBSNH-INIZCTEOSA-N -1 3 380.238 3.469 20 0 GGADHM CCOc1ccc(-c2nc(CN[C@H](C(=O)[O-])[C@H]3CCC[C@@H](OC)C3)co2)cc1 ZINC001597049202 986517912 /nfs/dbraw/zinc/51/79/12/986517912.db2.gz FNVPNFDTTJDIQZ-IPELMVKDSA-N -1 3 388.464 3.488 20 0 GGADHM CCOc1ccc(-c2nc(CN[C@H](C(=O)[O-])[C@@H]3CCC[C@@H](OC)C3)co2)cc1 ZINC001597049204 986517979 /nfs/dbraw/zinc/51/79/79/986517979.db2.gz FNVPNFDTTJDIQZ-LZQZEXGQSA-N -1 3 388.464 3.488 20 0 GGADHM C[C@@H]1COCCN1C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607224 986575443 /nfs/dbraw/zinc/57/54/43/986575443.db2.gz NPTVOTVCDHLCGV-SJKOYZFVSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@H]1COCCN1C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607226 986577381 /nfs/dbraw/zinc/57/73/81/986577381.db2.gz NPTVOTVCDHLCGV-YVEFUNNKSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@@H]1COCCN1C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607774 986586805 /nfs/dbraw/zinc/58/68/05/986586805.db2.gz ZXYUZORUJQKOIQ-PXAZEXFGSA-N -1 3 387.307 3.304 20 0 GGADHM CCOc1ccc(C[C@H](CNCc2nccn2-c2ccccc2)C(=O)[O-])cc1 ZINC001597095413 986689977 /nfs/dbraw/zinc/68/99/77/986689977.db2.gz PDANKKDLTWZKPY-GOSISDBHSA-N -1 3 379.460 3.304 20 0 GGADHM CCOc1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c(C)c1 ZINC001597101774 986720796 /nfs/dbraw/zinc/72/07/96/986720796.db2.gz DROOYFGALLLMMK-GOSISDBHSA-N -1 3 392.496 3.290 20 0 GGADHM CCOc1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c(C)c1 ZINC001597101775 986721436 /nfs/dbraw/zinc/72/14/36/986721436.db2.gz DROOYFGALLLMMK-SFHVURJKSA-N -1 3 392.496 3.290 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589431085 986723852 /nfs/dbraw/zinc/72/38/52/986723852.db2.gz DJFKOIMUBSCDEI-GDBMZVCRSA-N -1 3 384.480 3.227 20 0 GGADHM C[C@@H]1OC[C@]2(CC[C@H](CNCc3ccc(C(=O)[O-])cc3Br)O2)[C@H]1C ZINC001594639888 986782045 /nfs/dbraw/zinc/78/20/45/986782045.db2.gz KRSFFDNYQTWKSV-NNDWQROWSA-N -1 3 398.297 3.210 20 0 GGADHM C[C@@H]1OC[C@]2(CC[C@@H](CNCc3ccc(C(=O)[O-])cc3Br)O2)[C@H]1C ZINC001594639889 986782224 /nfs/dbraw/zinc/78/22/24/986782224.db2.gz KRSFFDNYQTWKSV-NZRMSGFPSA-N -1 3 398.297 3.210 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001589440492 986787724 /nfs/dbraw/zinc/78/77/24/986787724.db2.gz YPUDRLSRVPSAHR-DAYGRLMNSA-N -1 3 399.516 3.496 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597172500 987004161 /nfs/dbraw/zinc/00/41/61/987004161.db2.gz FQPMFUUTUXDHDU-FUHWJXTLSA-N -1 3 390.524 3.475 20 0 GGADHM CC[C@@H]1[C@@H](NCc2ccccc2OCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001597311400 987435274 /nfs/dbraw/zinc/43/52/74/987435274.db2.gz VDQKNWGFDQSRCY-JKSUJKDBSA-N -1 3 378.469 3.028 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616195 987476724 /nfs/dbraw/zinc/47/67/24/987476724.db2.gz MYAKGVYUEAYFEU-KBPBESRZSA-N -1 3 398.425 3.200 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001589621471 987502889 /nfs/dbraw/zinc/50/28/89/987502889.db2.gz XQZBYELUPOSWFR-STQMWFEESA-N -1 3 385.291 3.104 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001589621467 987503199 /nfs/dbraw/zinc/50/31/99/987503199.db2.gz XQZBYELUPOSWFR-OLZOCXBDSA-N -1 3 385.291 3.104 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001589622902 987508778 /nfs/dbraw/zinc/50/87/78/987508778.db2.gz DXHTTZOWRIVJJB-DOTOQJQBSA-N -1 3 393.915 3.167 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 ZINC001589623018 987509473 /nfs/dbraw/zinc/50/94/73/987509473.db2.gz ONIVGMCEVKYGQC-SFHVURJKSA-N -1 3 391.487 3.247 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC001589623226 987511588 /nfs/dbraw/zinc/51/15/88/987511588.db2.gz UYKAWFKGWGSTNQ-SFHVURJKSA-N -1 3 391.487 3.247 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccc2)CC1 ZINC001589627471 987520261 /nfs/dbraw/zinc/52/02/61/987520261.db2.gz APGAHLZPDQTGAK-UHFFFAOYSA-N -1 3 390.871 3.143 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC001589627839 987524990 /nfs/dbraw/zinc/52/49/90/987524990.db2.gz POFFFBGFRWBKCN-UHFFFAOYSA-N -1 3 383.448 3.492 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 ZINC001589627932 987526049 /nfs/dbraw/zinc/52/60/49/987526049.db2.gz VYTPLRFSHINQLH-UHFFFAOYSA-N -1 3 378.231 3.145 20 0 GGADHM CCc1[nH]c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC001597363373 987529621 /nfs/dbraw/zinc/52/96/21/987529621.db2.gz HILYWHFPBVSNJH-SFHVURJKSA-N -1 3 385.508 3.470 20 0 GGADHM CCc1[nH]c(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001597363894 987531037 /nfs/dbraw/zinc/53/10/37/987531037.db2.gz MICZVYCOYMQYNW-HNNXBMFYSA-N -1 3 377.872 3.270 20 0 GGADHM CCc1[nH]c(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001597367340 987542346 /nfs/dbraw/zinc/54/23/46/987542346.db2.gz QZTRXMPMAABBEO-KRWDZBQOSA-N -1 3 383.492 3.150 20 0 GGADHM CCc1[nH]c(CN2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1C(=O)[O-] ZINC001597383123 987581444 /nfs/dbraw/zinc/58/14/44/987581444.db2.gz BHEQJHNQYOTNTR-UZUQRXQVSA-N -1 3 397.519 3.141 20 0 GGADHM CCc1[nH]c(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1C(=O)OC ZINC001597392577 987625890 /nfs/dbraw/zinc/62/58/90/987625890.db2.gz UDCTXJZEOABHTL-HNNXBMFYSA-N -1 3 384.354 3.298 20 0 GGADHM CCc1[nH]c(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1C(=O)[O-] ZINC001597395190 987646343 /nfs/dbraw/zinc/64/63/43/987646343.db2.gz OYIYXCIHXCRKLQ-SJLPKXTDSA-N -1 3 395.425 3.428 20 0 GGADHM CCc1cc2oc(=O)cc(CN3C[C@H](OC)C[C@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489574 988011792 /nfs/dbraw/zinc/01/17/92/988011792.db2.gz LXUUJLSXYIYYIU-BFUOFWGJSA-N -1 3 379.840 3.073 20 0 GGADHM CC(C)(C)C[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001589745520 988039941 /nfs/dbraw/zinc/03/99/41/988039941.db2.gz NQNCFRRQYMNDJE-QGZVFWFLSA-N -1 3 393.503 3.493 20 0 GGADHM CCc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])s2)N(C)C)cc1 ZINC001597512648 988099307 /nfs/dbraw/zinc/09/93/07/988099307.db2.gz BLCDMFXVHBJRCF-INIZCTEOSA-N -1 3 375.494 3.111 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001589800634 988202169 /nfs/dbraw/zinc/20/21/69/988202169.db2.gz DGAXUZCHSBIOAT-YRNRMSPPSA-N -1 3 396.890 3.179 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001589800633 988202504 /nfs/dbraw/zinc/20/25/04/988202504.db2.gz DGAXUZCHSBIOAT-RZQQEMMASA-N -1 3 396.890 3.179 20 0 GGADHM CCc1ccc2ccccc2c1CNC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001597569695 988337492 /nfs/dbraw/zinc/33/74/92/988337492.db2.gz ZRROFAGIJFPNLI-UHFFFAOYSA-N -1 3 383.492 3.093 20 0 GGADHM CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNCc1ccc(C(=O)[O-])cc1F)O2 ZINC001589860003 988422297 /nfs/dbraw/zinc/42/22/97/988422297.db2.gz CWPNKWHAVMRVOB-ZGOJQLDESA-N -1 3 393.455 3.283 20 0 GGADHM CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNCc1ccc(/C=C/C(=O)[O-])o1)O2 ZINC001589860093 988423619 /nfs/dbraw/zinc/42/36/19/988423619.db2.gz HRLPYCXPGHYOFM-KCEXCSPHSA-N -1 3 391.464 3.137 20 0 GGADHM CSc1ccc(NC(=O)[C@H](C)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815928 988424694 /nfs/dbraw/zinc/42/46/94/988424694.db2.gz JDYCMLJTHUFQNK-BTYIYWSLSA-N -1 3 384.501 3.464 20 0 GGADHM CSc1ccc(NC(=O)N(CCN(C)C)Cc2ccco2)cc1C(=O)[O-] ZINC001599816133 988428183 /nfs/dbraw/zinc/42/81/83/988428183.db2.gz AXZKIFWXNQHSDZ-UHFFFAOYSA-N -1 3 377.466 3.295 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN(CCc2c(F)cccc2F)CC12CC(C(=O)[O-])C2 ZINC001589867492 988488617 /nfs/dbraw/zinc/48/86/17/988488617.db2.gz XRRJOPFPGQWXFF-FDTVQSNTSA-N -1 3 395.446 3.262 20 0 GGADHM CSc1cccc(NC(=O)[C@@H](C)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822867 988545077 /nfs/dbraw/zinc/54/50/77/988545077.db2.gz ZUFZPJOUMFYXDN-VFNWGFHPSA-N -1 3 384.501 3.464 20 0 GGADHM CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001589929493 988685828 /nfs/dbraw/zinc/68/58/28/988685828.db2.gz CYHHFMOCNGRAIB-ZBFHGGJFSA-N -1 3 396.434 3.315 20 0 GGADHM C[C@@H](CCNCc1oc(Br)cc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001599835762 988739923 /nfs/dbraw/zinc/73/99/23/988739923.db2.gz PBXRANUCXDHGGL-VIFPVBQESA-N -1 3 391.262 3.133 20 0 GGADHM CCc1nc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])sc1C ZINC001597678032 988796256 /nfs/dbraw/zinc/79/62/56/988796256.db2.gz JMLZBFARLSLTKS-MRXNPFEDSA-N -1 3 375.494 3.394 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)C1 ZINC001589972155 988810220 /nfs/dbraw/zinc/81/02/20/988810220.db2.gz UTVWMDZQURGCIM-OAHLLOKOSA-N -1 3 377.485 3.182 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CCNC(C)(C)c2cc(C(=O)[O-])on2)CC1 ZINC001589973805 988819695 /nfs/dbraw/zinc/81/96/95/988819695.db2.gz KIUYPZFNROBILI-UHFFFAOYSA-N -1 3 381.473 3.235 20 0 GGADHM C[C@@H](NCCc1cn(CC(=O)[O-])nn1)c1ccc(Cl)c(Cl)c1Cl ZINC001599841536 988843871 /nfs/dbraw/zinc/84/38/71/988843871.db2.gz PKEQMMPVYXHURI-MRVPVSSYSA-N -1 3 377.659 3.216 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(Cc1cccc(C(=O)[O-])n1)C2 ZINC001590002622 988920637 /nfs/dbraw/zinc/92/06/37/988920637.db2.gz BMKCTYSQJLMVEK-OAQYLSRUSA-N -1 3 389.496 3.393 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(Cc1ccc(C(=O)[O-])cn1)C2 ZINC001590002653 988920998 /nfs/dbraw/zinc/92/09/98/988920998.db2.gz BWWWOGDRQISUBZ-OAQYLSRUSA-N -1 3 389.496 3.393 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(/C=C\C(=O)[O-])o3)CCC[C@@H]12 ZINC001590004048 988937338 /nfs/dbraw/zinc/93/73/38/988937338.db2.gz NPIJDSIEFVVGBH-JKUVKPIWSA-N -1 3 376.453 3.399 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(/C=C\C(=O)[O-])o3)CCC[C@H]12 ZINC001590004052 988937634 /nfs/dbraw/zinc/93/76/34/988937634.db2.gz NPIJDSIEFVVGBH-RHDPCQNBSA-N -1 3 376.453 3.399 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004964 988947167 /nfs/dbraw/zinc/94/71/67/988947167.db2.gz NFLUCVMFPZBMLM-PBHICJAKSA-N -1 3 375.469 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2CCOc1cccc(C(=O)[O-])c1 ZINC001590005248 988949406 /nfs/dbraw/zinc/94/94/06/988949406.db2.gz OVKYPVRONQNOPB-QZTJIDSGSA-N -1 3 390.480 3.237 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2CCOc1cccc(C(=O)[O-])c1 ZINC001590005250 988949819 /nfs/dbraw/zinc/94/98/19/988949819.db2.gz OVKYPVRONQNOPB-ROUUACIJSA-N -1 3 390.480 3.237 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011284 988962548 /nfs/dbraw/zinc/96/25/48/988962548.db2.gz CHLXSZQHHSIPSG-CABCVRRESA-N -1 3 393.484 3.232 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011290 988962965 /nfs/dbraw/zinc/96/29/65/988962965.db2.gz CHLXSZQHHSIPSG-HUUCEWRRSA-N -1 3 393.484 3.232 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024487 989011445 /nfs/dbraw/zinc/01/14/45/989011445.db2.gz AAICOKPILCDBJT-UZLBHIALSA-N -1 3 375.469 3.073 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C[C@@H]2CC3(CO2)CCCCC3)[C@@H](C(=O)[O-])C1 ZINC001590034975 989054662 /nfs/dbraw/zinc/05/46/62/989054662.db2.gz NWZPPCJECAMSGT-DLBZAZTESA-N -1 3 396.528 3.122 20 0 GGADHM CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597736245 989086065 /nfs/dbraw/zinc/08/60/65/989086065.db2.gz ZRTSPYHNVAAUEG-BFVZDQMLSA-N -1 3 396.900 3.133 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CNC3(CC(=O)[O-])CCCC3)sc2C1 ZINC001590084894 989197894 /nfs/dbraw/zinc/19/78/94/989197894.db2.gz MDANQYLXMKFJKY-UHFFFAOYSA-N -1 3 395.525 3.313 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762908 989200967 /nfs/dbraw/zinc/20/09/67/989200967.db2.gz MSZKDZFRZRBGGX-JLTOFOAXSA-N -1 3 378.469 3.419 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599865563 989247332 /nfs/dbraw/zinc/24/73/32/989247332.db2.gz LEHJVLMSWIZDPU-XHPGIKPDSA-N -1 3 390.480 3.008 20 0 GGADHM CCc1oc(CN[C@](C)(CO)Cc2ccc(Br)cc2)cc1C(=O)[O-] ZINC001597798767 989372212 /nfs/dbraw/zinc/37/22/12/989372212.db2.gz JRQMSZJCLKLVDB-SFHVURJKSA-N -1 3 396.281 3.386 20 0 GGADHM CCc1oc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1C(=O)[O-] ZINC001597798753 989372406 /nfs/dbraw/zinc/37/24/06/989372406.db2.gz JHCLUSZCURMZGJ-ZIAGYGMSSA-N -1 3 378.469 3.229 20 0 GGADHM CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(CCOc1ccccc1C(=O)[O-])C2 ZINC001590137565 989386770 /nfs/dbraw/zinc/38/67/70/989386770.db2.gz AXXGHWSWHGDALG-YCRPNKLZSA-N -1 3 390.480 3.143 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2ccc(/C=C\C(=O)[O-])o2)C12CCC2 ZINC001590139607 989402103 /nfs/dbraw/zinc/40/21/03/989402103.db2.gz NSKANYMUCFDCOI-YVDRWBGASA-N -1 3 376.453 3.303 20 0 GGADHM CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(Cc2oncc2C(=O)[O-])C1 ZINC001590162373 989468709 /nfs/dbraw/zinc/46/87/09/989468709.db2.gz JYLWCMCIUFCLIK-LJQANCHMSA-N -1 3 381.473 3.136 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(CCCCC(=O)[O-])C[C@H]1c1cccc(F)c1 ZINC001590267717 989666131 /nfs/dbraw/zinc/66/61/31/989666131.db2.gz LQQONBSQHSBWMB-DLBZAZTESA-N -1 3 380.460 3.373 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C12CCC2 ZINC001590379129 989885996 /nfs/dbraw/zinc/88/59/96/989885996.db2.gz NIUSYAPULSJCBF-QLFBSQMISA-N -1 3 392.521 3.268 20 0 GGADHM CC(C)(C)OCCCN1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001590382877 989900707 /nfs/dbraw/zinc/90/07/07/989900707.db2.gz SJNYTKPIOFFTML-UHFFFAOYSA-N -1 3 385.508 3.256 20 0 GGADHM CC(C)(C)OCCCN1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC001590383173 989903097 /nfs/dbraw/zinc/90/30/97/989903097.db2.gz ZLSJLPPBLDGLIS-UHFFFAOYSA-N -1 3 385.508 3.256 20 0 GGADHM CN(C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001597991321 990092077 /nfs/dbraw/zinc/09/20/77/990092077.db2.gz ISNPKPOLVDLHJL-DPLHUUCSSA-N -1 3 392.499 3.368 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001598065978 990348145 /nfs/dbraw/zinc/34/81/45/990348145.db2.gz CXRPHZOAXQXOOV-HNNXBMFYSA-N -1 3 385.464 3.374 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001598066368 990350249 /nfs/dbraw/zinc/35/02/49/990350249.db2.gz JBNVKYMWCQCKLP-OAHLLOKOSA-N -1 3 385.464 3.374 20 0 GGADHM CN(C(=O)[C@H](Cc1ccccc1)NCc1ccc(C(=O)[O-])n1C)c1ccccc1 ZINC001598067974 990362024 /nfs/dbraw/zinc/36/20/24/990362024.db2.gz GCNNMORXGANAMA-FQEVSTJZSA-N -1 3 391.471 3.087 20 0 GGADHM CN(C(=O)c1ccccc1CCC(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001598093107 990437586 /nfs/dbraw/zinc/43/75/86/990437586.db2.gz DNQVSMWZNGYIPP-FQEVSTJZSA-N -1 3 380.488 3.440 20 0 GGADHM CN(C)C(=O)Sc1cccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)c1 ZINC001598144030 990607274 /nfs/dbraw/zinc/60/72/74/990607274.db2.gz FJDOVBRBIZTKSA-SZMVWBNQSA-N -1 3 392.521 3.305 20 0 GGADHM CN(C)C(=O)Sc1cccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c1 ZINC001598144027 990607327 /nfs/dbraw/zinc/60/73/27/990607327.db2.gz FJDOVBRBIZTKSA-CGTJXYLNSA-N -1 3 392.521 3.305 20 0 GGADHM CN(C)[C@H](CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)c1ccccc1 ZINC001598169547 990690437 /nfs/dbraw/zinc/69/04/37/990690437.db2.gz CFFGHNQJOVJKQT-LJQANCHMSA-N -1 3 395.459 3.276 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1ccc(F)cc1 ZINC001598202315 990823182 /nfs/dbraw/zinc/82/31/82/990823182.db2.gz DEMXLYKDALNCGE-ZDUSSCGKSA-N -1 3 394.472 3.069 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccc(F)cc1 ZINC001598203116 990828698 /nfs/dbraw/zinc/82/86/98/990828698.db2.gz QBKLXSJIVBLNDZ-GOSISDBHSA-N -1 3 384.411 3.430 20 0 GGADHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598225253 990912844 /nfs/dbraw/zinc/91/28/44/990912844.db2.gz FTVJEDUFNJGVPV-AWEZNQCLSA-N -1 3 391.493 3.174 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001598228305 990919736 /nfs/dbraw/zinc/91/97/36/990919736.db2.gz DAHRHCGZKYIHEO-UHFFFAOYSA-N -1 3 387.455 3.439 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001598228643 990922453 /nfs/dbraw/zinc/92/24/53/990922453.db2.gz OHXNMWNRBPZLIF-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001598228835 990923470 /nfs/dbraw/zinc/92/34/70/990923470.db2.gz BSXUAHNAGUDMIF-UHFFFAOYSA-N -1 3 396.538 3.163 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001598229059 990925846 /nfs/dbraw/zinc/92/58/46/990925846.db2.gz UQCKIJMJLMGIDT-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001598246939 991011846 /nfs/dbraw/zinc/01/18/46/991011846.db2.gz HKFBWLQOOJZBJJ-KRWDZBQOSA-N -1 3 384.407 3.059 20 0 GGADHM CN(C)Cc1ccc(CN[C@H](C(=O)[O-])c2cccs2)c2c1OC(F)(F)O2 ZINC001598252029 991029323 /nfs/dbraw/zinc/02/93/23/991029323.db2.gz AAOUWTHKLBWNJF-ZDUSSCGKSA-N -1 3 384.404 3.047 20 0 GGADHM CN(C)Cc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC001598252468 991032187 /nfs/dbraw/zinc/03/21/87/991032187.db2.gz HRLMKDWVPJAWMV-UHFFFAOYSA-N -1 3 386.832 3.040 20 0 GGADHM CN(C)Cc1ccccc1NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598254112 991055459 /nfs/dbraw/zinc/05/54/59/991055459.db2.gz WAWXBOKSEGGVGA-UHFFFAOYSA-N -1 3 377.238 3.461 20 0 GGADHM COc1ccccc1-c1ccc([C@H](C)N[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1 ZINC001599692727 991096273 /nfs/dbraw/zinc/09/62/73/991096273.db2.gz SZUDBRMGAVBOEE-OXJNMPFZSA-N -1 3 396.487 3.479 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001590980901 991135753 /nfs/dbraw/zinc/13/57/53/991135753.db2.gz MGMNWYNPIACBIN-MOPGFXCFSA-N -1 3 387.524 3.039 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001590981603 991142961 /nfs/dbraw/zinc/14/29/61/991142961.db2.gz YJBICZYPLTWQEL-OAQYLSRUSA-N -1 3 397.519 3.383 20 0 GGADHM CC(C)[C@@H](CNC(=O)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001590982452 991151144 /nfs/dbraw/zinc/15/11/44/991151144.db2.gz ODHTYZOXFGYTLY-YPAWHYETSA-N -1 3 394.515 3.343 20 0 GGADHM CC(C)[C@H](CNC(=O)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001590982449 991151351 /nfs/dbraw/zinc/15/13/51/991151351.db2.gz ODHTYZOXFGYTLY-BHDDXSALSA-N -1 3 394.515 3.343 20 0 GGADHM CC(C)[C@@H](CNC(=O)[C@H](N)CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001590982701 991153359 /nfs/dbraw/zinc/15/33/59/991153359.db2.gz SPXWPYNHZGILKZ-IUODEOHRSA-N -1 3 375.296 3.116 20 0 GGADHM CC(C)[C@H](CNC(=O)[C@H](N)CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001590982702 991153484 /nfs/dbraw/zinc/15/34/84/991153484.db2.gz SPXWPYNHZGILKZ-SWLSCSKDSA-N -1 3 375.296 3.116 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1F ZINC001591007364 991269301 /nfs/dbraw/zinc/26/93/01/991269301.db2.gz DMFROLOHOGXBRD-MRXNPFEDSA-N -1 3 399.894 3.367 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591008430 991276662 /nfs/dbraw/zinc/27/66/62/991276662.db2.gz YNRFNIKIMNFZDE-HKUYNNGSSA-N -1 3 389.540 3.339 20 0 GGADHM CN(C)c1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)cn1 ZINC001598318001 991310754 /nfs/dbraw/zinc/31/07/54/991310754.db2.gz UFZVBMGYKLDFDT-INIZCTEOSA-N -1 3 378.270 3.168 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC001591024702 991318539 /nfs/dbraw/zinc/31/85/39/991318539.db2.gz GOAVGQAOPOVXJW-KRWDZBQOSA-N -1 3 390.461 3.143 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC001591024703 991318674 /nfs/dbraw/zinc/31/86/74/991318674.db2.gz GOAVGQAOPOVXJW-QGZVFWFLSA-N -1 3 390.461 3.143 20 0 GGADHM COc1ccccc1N1CC[C@H](N(Cc2ccccc2)C[C@H](C)C(=O)[O-])C1=O ZINC001599713430 991410319 /nfs/dbraw/zinc/41/03/19/991410319.db2.gz IXIDWGYCVASHJB-LPHOPBHVSA-N -1 3 382.460 3.023 20 0 GGADHM COc1ccccc1N1CC[C@@H](N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC001599713434 991410363 /nfs/dbraw/zinc/41/03/63/991410363.db2.gz IXIDWGYCVASHJB-VQIMIIECSA-N -1 3 382.460 3.023 20 0 GGADHM COc1cncc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c1C ZINC001599725668 991618655 /nfs/dbraw/zinc/61/86/55/991618655.db2.gz BHBHARZTSHOVEQ-MRXNPFEDSA-N -1 3 379.254 3.419 20 0 GGADHM CN(CC(=O)NCc1ccccc1COc1ccccc1)C(C)(C)CC(=O)[O-] ZINC001598392427 991645869 /nfs/dbraw/zinc/64/58/69/991645869.db2.gz GTWVKACRXTWZLI-UHFFFAOYSA-N -1 3 384.476 3.067 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001591094361 991671300 /nfs/dbraw/zinc/67/13/00/991671300.db2.gz JLHAFYHRKNIIBG-MJGOQNOKSA-N -1 3 387.524 3.137 20 0 GGADHM CC(C)[C@@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001591096451 991686704 /nfs/dbraw/zinc/68/67/04/991686704.db2.gz DSDKDQBTHLXXGZ-NRFANRHFSA-N -1 3 395.503 3.166 20 0 GGADHM CN(CC(C)(C)CN1CCOCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598423609 991762300 /nfs/dbraw/zinc/76/23/00/991762300.db2.gz KFXGLLQGHOXWAH-MRXNPFEDSA-N -1 3 389.323 3.409 20 0 GGADHM COc1nsc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740302 991839742 /nfs/dbraw/zinc/83/97/42/991839742.db2.gz NMJNAQAUMJKKGF-UONOGXRCSA-N -1 3 380.441 3.077 20 0 GGADHM COc1nsc(CNC[C@@H](C(=O)[O-])C2CCCCC2)c1Br ZINC001599741588 991866350 /nfs/dbraw/zinc/86/63/50/991866350.db2.gz GTJZABYSRYLWPU-SNVBAGLBSA-N -1 3 377.304 3.285 20 0 GGADHM CN(C[C@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1)C(=O)OC(C)(C)C ZINC001598463154 991969483 /nfs/dbraw/zinc/96/94/83/991969483.db2.gz VGKLZNQVLNXXKR-OAHLLOKOSA-N -1 3 391.512 3.211 20 0 GGADHM CN(CC1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1)C(=O)OC(C)(C)C ZINC001598463328 991969822 /nfs/dbraw/zinc/96/98/22/991969822.db2.gz XOEKHHVTUIAQRU-BQYQJAHWSA-N -1 3 378.469 3.456 20 0 GGADHM CC(C)C[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591178927 991979491 /nfs/dbraw/zinc/97/94/91/991979491.db2.gz YJLAUZCHIBJTDC-WBVHZDCISA-N -1 3 381.904 3.085 20 0 GGADHM CN(CCC1CCN(Cc2ccc(C(=O)[O-])n2C)CC1)C(=O)OC(C)(C)C ZINC001598472411 992047734 /nfs/dbraw/zinc/04/77/34/992047734.db2.gz NUWRRCXNBBWVSG-UHFFFAOYSA-N -1 3 379.501 3.192 20 0 GGADHM CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591211502 992058268 /nfs/dbraw/zinc/05/82/68/992058268.db2.gz GGLLIFRODOSQID-LSDHHAIUSA-N -1 3 394.537 3.447 20 0 GGADHM CC(C)CC[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591221777 992089387 /nfs/dbraw/zinc/08/93/87/992089387.db2.gz OOHYAODHKNNZDF-AEFFLSMTSA-N -1 3 395.931 3.475 20 0 GGADHM CN(CCCN1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)C(=O)OC(C)(C)C ZINC001598479136 992120444 /nfs/dbraw/zinc/12/04/44/992120444.db2.gz SMOUZDOCFFBLCM-ZDUSSCGKSA-N -1 3 383.514 3.278 20 0 GGADHM CN(CCCN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(=O)OC(C)(C)C ZINC001598479134 992120670 /nfs/dbraw/zinc/12/06/70/992120670.db2.gz SMOUZDOCFFBLCM-CYBMUJFWSA-N -1 3 383.514 3.278 20 0 GGADHM CN(CCN(Cc1ccccc1)C(=O)c1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598487238 992221723 /nfs/dbraw/zinc/22/17/23/992221723.db2.gz GLMRPJOYMIGUMT-UHFFFAOYSA-N -1 3 391.471 3.487 20 0 GGADHM C[S@](=O)[C@@H]1CC[C@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001599775123 992292544 /nfs/dbraw/zinc/29/25/44/992292544.db2.gz JWWVOGVFLMUIJO-CUMRGQLISA-N -1 3 387.501 3.353 20 0 GGADHM CN(CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598492968 992328008 /nfs/dbraw/zinc/32/80/08/992328008.db2.gz VGGQSDBLAOQHEM-CYBMUJFWSA-N -1 3 376.375 3.288 20 0 GGADHM CN(CCS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)Cc1ccccc1 ZINC001598500749 992433217 /nfs/dbraw/zinc/43/32/17/992433217.db2.gz WHSPFRPLQYAVRU-MRXNPFEDSA-N -1 3 390.530 3.417 20 0 GGADHM CN(CCc1nc(-c2ccccc2)no1)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598502819 992456969 /nfs/dbraw/zinc/45/69/69/992456969.db2.gz MKSWZJOWHAOPRJ-UHFFFAOYSA-N -1 3 380.448 3.247 20 0 GGADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598503932 992474337 /nfs/dbraw/zinc/47/43/37/992474337.db2.gz ZOQHOHWKTAGRAE-KRWDZBQOSA-N -1 3 382.464 3.298 20 0 GGADHM CN(CCn1cc(Cl)cn1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598503987 992475653 /nfs/dbraw/zinc/47/56/53/992475653.db2.gz NOOOBUHXDOARJS-NSHDSACASA-N -1 3 378.679 3.118 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@H](O)c1ccccc1Br ZINC001598509195 992546763 /nfs/dbraw/zinc/54/67/63/992546763.db2.gz HKRTXGPUJMQBHF-INIZCTEOSA-N -1 3 382.229 3.452 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)N(C)C)cc1 ZINC001591484300 992610363 /nfs/dbraw/zinc/61/03/63/992610363.db2.gz NCYSPGSCUTUTOK-HXUWFJFHSA-N -1 3 389.540 3.384 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cn1)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001598515407 992611985 /nfs/dbraw/zinc/61/19/85/992611985.db2.gz HXGZPYVPBOCHLZ-OAHLLOKOSA-N -1 3 377.485 3.249 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001598517380 992632764 /nfs/dbraw/zinc/63/27/64/992632764.db2.gz HHCDWGHMYIBVMP-KKUMJFAQSA-N -1 3 384.929 3.325 20 0 GGADHM C[N@H+](Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1(CC(=O)[O-])CC1 ZINC001598526540 992726816 /nfs/dbraw/zinc/72/68/16/992726816.db2.gz IRKHCVRKMZUSQI-UHFFFAOYSA-N -1 3 388.489 3.174 20 0 GGADHM C[N@@H+](Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1(CC(=O)[O-])CC1 ZINC001598526540 992726819 /nfs/dbraw/zinc/72/68/19/992726819.db2.gz IRKHCVRKMZUSQI-UHFFFAOYSA-N -1 3 388.489 3.174 20 0 GGADHM CN(Cc1cccc(C(=O)[O-])n1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001598527657 992741333 /nfs/dbraw/zinc/74/13/33/992741333.db2.gz PWIUEGUIURORBN-UHFFFAOYSA-N -1 3 377.485 3.439 20 0 GGADHM CN(Cc1ccccc1)C[C@@H](O)COc1cc(Br)cc(C(=O)[O-])c1 ZINC001598528725 992751478 /nfs/dbraw/zinc/75/14/78/992751478.db2.gz JYOVZLDDZCYUBA-MRXNPFEDSA-N -1 3 394.265 3.019 20 0 GGADHM CN(Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccccc1N1CCOCC1 ZINC001598530141 992769114 /nfs/dbraw/zinc/76/91/14/992769114.db2.gz NDTVTXVSCPRPNR-UHFFFAOYSA-N -1 3 379.460 3.335 20 0 GGADHM CN1C(=O)C[C@H](NCc2ccccc2CC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598547974 992967962 /nfs/dbraw/zinc/96/79/62/992967962.db2.gz HUWAOIXEEVHLFH-PXNSSMCTSA-N -1 3 390.842 3.168 20 0 GGADHM CN1C(=O)C[C@@H](NCc2ccccc2CC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598547975 992968166 /nfs/dbraw/zinc/96/81/66/992968166.db2.gz HUWAOIXEEVHLFH-XLIONFOSSA-N -1 3 390.842 3.168 20 0 GGADHM CN1C(=O)C[C@@H](NCc2ccccc2CC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001598547976 992968648 /nfs/dbraw/zinc/96/86/48/992968648.db2.gz HUWAOIXEEVHLFH-YLJYHZDGSA-N -1 3 390.842 3.168 20 0 GGADHM CN1C(=O)C[C@@H](NCc2ccsc2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598549007 992979729 /nfs/dbraw/zinc/97/97/29/992979729.db2.gz LEUIGDQIQOXJHZ-HIFRSBDPSA-N -1 3 382.844 3.300 20 0 GGADHM CN1C(=O)C[C@H](NCc2ccsc2C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001598549006 992980262 /nfs/dbraw/zinc/98/02/62/992980262.db2.gz LEUIGDQIQOXJHZ-DZGCQCFKSA-N -1 3 382.844 3.300 20 0 GGADHM CN1C(=O)C[C@H](N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC001598551408 993007762 /nfs/dbraw/zinc/00/77/62/993007762.db2.gz JGWHGQCCHJFCHA-CGTJXYLNSA-N -1 3 394.805 3.306 20 0 GGADHM CN1C(=O)CCc2cc(CN3CCC(Nc4cccc(C(=O)[O-])c4)CC3)ccc21 ZINC001598552156 993016357 /nfs/dbraw/zinc/01/63/57/993016357.db2.gz QFSNZCDXPHTKKN-UHFFFAOYSA-N -1 3 393.487 3.370 20 0 GGADHM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN1CC[C@@H](c2ccccc2)C1 ZINC001598555859 993056209 /nfs/dbraw/zinc/05/62/09/993056209.db2.gz UCIZVZCRRYLTEU-NQIIRXRSSA-N -1 3 391.471 3.211 20 0 GGADHM CN1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001598587101 993401165 /nfs/dbraw/zinc/40/11/65/993401165.db2.gz SBEBKEWYKOOARF-AZUAARDMSA-N -1 3 383.448 3.107 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H](CC(=O)[O-])C2CC2)CC1 ZINC001598588013 993412791 /nfs/dbraw/zinc/41/27/91/993412791.db2.gz LWSCUQIFNLUVMH-OAHLLOKOSA-N -1 3 395.887 3.188 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC001593061600 993569380 /nfs/dbraw/zinc/56/93/80/993569380.db2.gz BWRZFLZMOXRBIX-NSHDSACASA-N -1 3 388.295 3.245 20 0 GGADHM C[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2)cc1 ZINC001593062663 993580229 /nfs/dbraw/zinc/58/02/29/993580229.db2.gz LAEBNLKSAIFXSG-FUHWJXTLSA-N -1 3 397.475 3.198 20 0 GGADHM C[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)[C@@H](c1ccccc1)N(C)C ZINC001593069802 993613291 /nfs/dbraw/zinc/61/32/91/993613291.db2.gz JDEMBLJURCKCBA-YWZLYKJASA-N -1 3 381.476 3.144 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)[C@@H](c1ccccc1)N(C)C ZINC001593069801 993613316 /nfs/dbraw/zinc/61/33/16/993613316.db2.gz JDEMBLJURCKCBA-QRWLVFNGSA-N -1 3 381.476 3.144 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@@H](c1ccccc1)N(C)C ZINC001593069900 993614684 /nfs/dbraw/zinc/61/46/84/993614684.db2.gz LLJYXSIWKXIJEU-QRWLVFNGSA-N -1 3 381.476 3.144 20 0 GGADHM COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC001599590192 993670435 /nfs/dbraw/zinc/67/04/35/993670435.db2.gz USTWFMTZCNPVRR-ADLMAVQZSA-N -1 3 378.375 3.106 20 0 GGADHM COc1ccc(NC(=O)C[C@H](C)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC001599590194 993670520 /nfs/dbraw/zinc/67/05/20/993670520.db2.gz USTWFMTZCNPVRR-BBATYDOGSA-N -1 3 378.375 3.106 20 0 GGADHM C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593083558 993681704 /nfs/dbraw/zinc/68/17/04/993681704.db2.gz OJLJLHIGXUDKLG-ZWNOBZJWSA-N -1 3 396.900 3.158 20 0 GGADHM C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593085036 993691786 /nfs/dbraw/zinc/69/17/86/993691786.db2.gz ZLUDBELKSFPART-VXGBXAGGSA-N -1 3 394.522 3.100 20 0 GGADHM CN1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609102 993732355 /nfs/dbraw/zinc/73/23/55/993732355.db2.gz OBLVIVVIFQNACN-KRWDZBQOSA-N -1 3 389.496 3.016 20 0 GGADHM CN1CCN(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)C[C@H](C(=O)[O-])C1 ZINC001598609300 993736024 /nfs/dbraw/zinc/73/60/24/993736024.db2.gz RQHFGHUNNIOTOC-CQSZACIVSA-N -1 3 389.402 3.112 20 0 GGADHM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H](c1ccccc1)N(C)C ZINC001593108556 993764922 /nfs/dbraw/zinc/76/49/22/993764922.db2.gz FDWINXZFNPGFKH-APPDUMDISA-N -1 3 377.391 3.476 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC001593114901 993795665 /nfs/dbraw/zinc/79/56/65/993795665.db2.gz FQCWTDSFDGVGRW-MGPUTAFESA-N -1 3 385.464 3.353 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)C1=CCN(C)CC1 ZINC001593116219 993807059 /nfs/dbraw/zinc/80/70/59/993807059.db2.gz YXVUNIBXEZWHML-CQSZACIVSA-N -1 3 396.447 3.344 20 0 GGADHM CN1CCN(C[C@H](NCc2cc(C(=O)[O-])ccc2Cl)c2ccccc2)CC1 ZINC001598613902 993841363 /nfs/dbraw/zinc/84/13/63/993841363.db2.gz HJELWHHWDDFNCA-FQEVSTJZSA-N -1 3 387.911 3.117 20 0 GGADHM C[C@@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@@H](c1ccccc1)N(C)C ZINC001593124080 993848568 /nfs/dbraw/zinc/84/85/68/993848568.db2.gz NVADMIVIKJGAFB-DOMZBBRYSA-N -1 3 390.509 3.318 20 0 GGADHM C[C@@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@H](c1ccccc1)N(C)C ZINC001593124081 993848618 /nfs/dbraw/zinc/84/86/18/993848618.db2.gz NVADMIVIKJGAFB-IUODEOHRSA-N -1 3 390.509 3.318 20 0 GGADHM C[C@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@H](c1ccccc1)N(C)C ZINC001593124082 993848787 /nfs/dbraw/zinc/84/87/87/993848787.db2.gz NVADMIVIKJGAFB-SWLSCSKDSA-N -1 3 390.509 3.318 20 0 GGADHM COc1ccc(OC)c(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001599604629 993867281 /nfs/dbraw/zinc/86/72/81/993867281.db2.gz MBMSSNXXQFBENM-IBGZPJMESA-N -1 3 386.448 3.084 20 0 GGADHM COc1ccc(OC)c(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001599604631 993867466 /nfs/dbraw/zinc/86/74/66/993867466.db2.gz MBMSSNXXQFBENM-LJQANCHMSA-N -1 3 386.448 3.084 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001593131185 993878525 /nfs/dbraw/zinc/87/85/25/993878525.db2.gz LRMNRFOJZNHJOJ-HZPDHXFCSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001593131775 993885534 /nfs/dbraw/zinc/88/55/34/993885534.db2.gz RQHJROQMOOQFQW-YJBOKZPZSA-N -1 3 392.496 3.418 20 0 GGADHM CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC001598617368 993914982 /nfs/dbraw/zinc/91/49/82/993914982.db2.gz XQBFJSVUOPSKAM-UHFFFAOYSA-N -1 3 398.507 3.076 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC001598618789 993953466 /nfs/dbraw/zinc/95/34/66/993953466.db2.gz VTNXPHTUYCFYNR-VZOQVYJPSA-N -1 3 380.488 3.022 20 0 GGADHM CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc(C(=O)[O-])o2)CC1 ZINC001598622690 994032010 /nfs/dbraw/zinc/03/20/10/994032010.db2.gz WKPNLAFSWGWAEL-UHFFFAOYSA-N -1 3 397.397 3.038 20 0 GGADHM CN1CCN(c2ccc(NC3CCC(CC(=O)[O-])CC3)c3cnccc32)CC1 ZINC001598624600 994067130 /nfs/dbraw/zinc/06/71/30/994067130.db2.gz OLIDAQVPZJKIKN-UHFFFAOYSA-N -1 3 382.508 3.432 20 0 GGADHM CN1CCN(c2ccc(NCc3csc(C(=O)[O-])c3)c3cnccc32)CC1 ZINC001598624709 994068418 /nfs/dbraw/zinc/06/84/18/994068418.db2.gz SNMSZZYLGHVYKW-UHFFFAOYSA-N -1 3 382.489 3.358 20 0 GGADHM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593195697 994149147 /nfs/dbraw/zinc/14/91/47/994149147.db2.gz DRWBBBCLVWEZEJ-KGLIPLIRSA-N -1 3 375.444 3.281 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(OCC(=O)[O-])cc1)C(=O)NCc1ccc(Cl)cc1 ZINC001593195784 994150403 /nfs/dbraw/zinc/15/04/03/994150403.db2.gz FPMWPBRVJKWMJE-ZIAGYGMSSA-N -1 3 390.867 3.159 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593197440 994163892 /nfs/dbraw/zinc/16/38/92/994163892.db2.gz KCFWQKUNQMZAFN-DTVLGXAZSA-N -1 3 380.242 3.259 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC001593199430 994178563 /nfs/dbraw/zinc/17/85/63/994178563.db2.gz XRHANUCXQLDBCH-GMKVZWAMSA-N -1 3 376.497 3.130 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC001593199433 994178719 /nfs/dbraw/zinc/17/87/19/994178719.db2.gz XRHANUCXQLDBCH-NTODXPRQSA-N -1 3 376.497 3.130 20 0 GGADHM C[C@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC001593203674 994187717 /nfs/dbraw/zinc/18/77/17/994187717.db2.gz GHDXSXZGTSVBLH-SUMWQHHRSA-N -1 3 379.453 3.486 20 0 GGADHM C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593211624 994270796 /nfs/dbraw/zinc/27/07/96/994270796.db2.gz ZKYXQHNSQTVKQE-JGTCGTHISA-N -1 3 378.900 3.338 20 0 GGADHM COc1ccc2ccccc2c1CN(C(=O)[C@@H](N)CCC(=O)[O-])C1CCCC1 ZINC001599635759 994285456 /nfs/dbraw/zinc/28/54/56/994285456.db2.gz QJMGDTNBIDUMMD-IBGZPJMESA-N -1 3 384.476 3.312 20 0 GGADHM C[C@H](N[C@H]1CC[C@H](C(=O)[O-])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001593221207 994321983 /nfs/dbraw/zinc/32/19/83/994321983.db2.gz YHWZODUFAGORJU-GAFUQQFSSA-N -1 3 380.242 3.403 20 0 GGADHM C[C@H](N[C@H]1CCCN(CCC(=O)[O-])C1=O)c1cccc(SC(F)(F)F)c1 ZINC001593222031 994330615 /nfs/dbraw/zinc/33/06/15/994330615.db2.gz FZDWCJPMWWWASE-FZMZJTMJSA-N -1 3 390.427 3.415 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1OCC(=O)[O-] ZINC001593222214 994332787 /nfs/dbraw/zinc/33/27/87/994332787.db2.gz ILDNKAGTQRZXPX-SJLPKXTDSA-N -1 3 382.460 3.105 20 0 GGADHM COc1cccc(-c2nc(CN3C[C@@H](c4ccc(O)cc4)[C@H](C(=O)[O-])C3)co2)c1 ZINC001599639103 994332916 /nfs/dbraw/zinc/33/29/16/994332916.db2.gz KDGRSLQVQAXAHD-VQTJNVASSA-N -1 3 394.427 3.356 20 0 GGADHM C[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccc(N2CCCC2)c1 ZINC001593232499 994385710 /nfs/dbraw/zinc/38/57/10/994385710.db2.gz WKVRRLUVYOCARL-MRXNPFEDSA-N -1 3 381.476 3.299 20 0 GGADHM C[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccc(N2CCCC2)c1 ZINC001593232495 994386422 /nfs/dbraw/zinc/38/64/22/994386422.db2.gz WKVRRLUVYOCARL-INIZCTEOSA-N -1 3 381.476 3.299 20 0 GGADHM C[C@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593246339 994450615 /nfs/dbraw/zinc/45/06/15/994450615.db2.gz KDBGZJYTVFRVQM-SUMWQHHRSA-N -1 3 378.856 3.355 20 0 GGADHM C[C@@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593246433 994451208 /nfs/dbraw/zinc/45/12/08/994451208.db2.gz LGRKQZLMNOWTTA-YPMHNXCESA-N -1 3 382.254 3.242 20 0 GGADHM C[C@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593246430 994451561 /nfs/dbraw/zinc/45/15/61/994451561.db2.gz LGRKQZLMNOWTTA-AAEUAGOBSA-N -1 3 382.254 3.242 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001599648937 994466013 /nfs/dbraw/zinc/46/60/13/994466013.db2.gz AVACPFUZINJGTK-HOTGVXAUSA-N -1 3 378.469 3.056 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001599648941 994466531 /nfs/dbraw/zinc/46/65/31/994466531.db2.gz AVACPFUZINJGTK-JKSUJKDBSA-N -1 3 378.469 3.056 20 0 GGADHM C[C@H](NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593250165 994484490 /nfs/dbraw/zinc/48/44/90/994484490.db2.gz RRWUBUNRQXOEPU-AWEZNQCLSA-N -1 3 381.542 3.306 20 0 GGADHM C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593250771 994487862 /nfs/dbraw/zinc/48/78/62/994487862.db2.gz WPAXUFSGXJFHKU-JOKNJTHLSA-N -1 3 378.469 3.405 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(=O)oc3cc(OC)ccc23)c1 ZINC001599651205 994503494 /nfs/dbraw/zinc/50/34/94/994503494.db2.gz UUYLQJAKBBMHAX-FQEVSTJZSA-N -1 3 383.400 3.068 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NC[C@@H]2CN(C3CCCCC3)C(=O)O2)c1 ZINC001599652858 994532955 /nfs/dbraw/zinc/53/29/55/994532955.db2.gz OPZZOHVILAQVSV-NQIIRXRSSA-N -1 3 390.480 3.128 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC001599653426 994540402 /nfs/dbraw/zinc/54/04/02/994540402.db2.gz WEEZYUUVIWEEQI-FPDPHYFHSA-N -1 3 376.497 3.012 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC001599653864 994546430 /nfs/dbraw/zinc/54/64/30/994546430.db2.gz ZYUVZQNHJQTLKX-OFNKIYASSA-N -1 3 396.487 3.166 20 0 GGADHM CNC(=O)c1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1 ZINC001598658376 994558580 /nfs/dbraw/zinc/55/85/80/994558580.db2.gz WJDJUTCUJCTOCP-GOSISDBHSA-N -1 3 381.259 3.443 20 0 GGADHM CC(C)(C)S(=O)(=O)CCCN[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593266668 994580975 /nfs/dbraw/zinc/58/09/75/994580975.db2.gz GHHFEBLBIDKIBA-INIZCTEOSA-N -1 3 396.336 3.486 20 0 GGADHM COc1cccc([C@H](O)C2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)c1 ZINC001599659787 994637955 /nfs/dbraw/zinc/63/79/55/994637955.db2.gz NBUGIDIXSGSKRB-OPAMFIHVSA-N -1 3 399.487 3.493 20 0 GGADHM COc1cccc([C@H](O)CN(Cc2c[nH]c(C(=O)[O-])c2)Cc2ccccc2)c1 ZINC001599659844 994639380 /nfs/dbraw/zinc/63/93/80/994639380.db2.gz OHHWIHFDDLQEHH-OAQYLSRUSA-N -1 3 380.444 3.457 20 0 GGADHM C[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593288380 994654914 /nfs/dbraw/zinc/65/49/14/994654914.db2.gz HZTYLRZHNRKBMI-CQSZACIVSA-N -1 3 378.432 3.221 20 0 GGADHM COc1cccc([C@H](O)CN(Cc2cc(C(=O)[O-])n(C)c2)Cc2ccccc2)c1 ZINC001599661277 994659873 /nfs/dbraw/zinc/65/98/73/994659873.db2.gz YDJKREOVFDHFLY-JOCHJYFZSA-N -1 3 394.471 3.468 20 0 GGADHM C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593291862 994672315 /nfs/dbraw/zinc/67/23/15/994672315.db2.gz DJBQNJMOFZZOJA-INIZCTEOSA-N -1 3 382.460 3.237 20 0 GGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1Br)[C@@H](O)c1ccc(F)cc1 ZINC001593295570 994692308 /nfs/dbraw/zinc/69/23/08/994692308.db2.gz GNBUXRLCUGKIJJ-MGPLVRAMSA-N -1 3 382.229 3.498 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593296568 994698326 /nfs/dbraw/zinc/69/83/26/994698326.db2.gz OCEVLQURMYTHDE-CQSZACIVSA-N -1 3 389.446 3.266 20 0 GGADHM C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cc2ccccc2[nH]1 ZINC001593297418 994701834 /nfs/dbraw/zinc/70/18/34/994701834.db2.gz UXSBCXJEEHWPKY-CQSZACIVSA-N -1 3 386.473 3.018 20 0 GGADHM C[C@@](NCc1ccc(I)s1)(C(=O)[O-])c1ccccc1 ZINC001593297870 994708742 /nfs/dbraw/zinc/70/87/42/994708742.db2.gz BIRNLOLGCVCZKQ-AWEZNQCLSA-N -1 3 387.242 3.442 20 0 GGADHM C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593298303 994712471 /nfs/dbraw/zinc/71/24/71/994712471.db2.gz HUWYHHBULKCWRX-GFCCVEGCSA-N -1 3 384.354 3.337 20 0 GGADHM C[C@@](NCc1ccc2nccnc2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593304096 994741997 /nfs/dbraw/zinc/74/19/97/994741997.db2.gz HYWRCFAQVOPXOV-SFHVURJKSA-N -1 3 386.249 3.482 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599670620 994805181 /nfs/dbraw/zinc/80/51/81/994805181.db2.gz COKRQAUAUUAZRS-UHFFFAOYSA-N -1 3 385.464 3.298 20 0 GGADHM C[C@H](Nc1ccc(N2CCN(C)CC2)c2ccncc12)c1ncc(C(=O)[O-])s1 ZINC001593363134 995035093 /nfs/dbraw/zinc/03/50/93/995035093.db2.gz OIFMNBAJQVOIIW-ZDUSSCGKSA-N -1 3 397.504 3.314 20 0 GGADHM COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001598689987 995048946 /nfs/dbraw/zinc/04/89/46/995048946.db2.gz UIKICLQVVLAYQS-IAGOWNOFSA-N -1 3 385.460 3.350 20 0 GGADHM C[C@@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1ccc(F)cc1 ZINC001593410641 995182889 /nfs/dbraw/zinc/18/28/89/995182889.db2.gz FZUVUTVDQTUUKU-QGZVFWFLSA-N -1 3 382.229 3.284 20 0 GGADHM COC(=O)[C@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717260 995426829 /nfs/dbraw/zinc/42/68/29/995426829.db2.gz GQNGCBSIPNQMJO-FZMZJTMJSA-N -1 3 399.287 3.259 20 0 GGADHM COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717259 995426852 /nfs/dbraw/zinc/42/68/52/995426852.db2.gz GQNGCBSIPNQMJO-BXUZGUMPSA-N -1 3 399.287 3.259 20 0 GGADHM C[C@@H](OCCCNC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608553 995796916 /nfs/dbraw/zinc/79/69/16/995796916.db2.gz KBVULKFWDCEMQL-MJGOQNOKSA-N -1 3 390.524 3.093 20 0 GGADHM C[C@H](OCCCNC(=O)CN[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1 ZINC001593608773 995799009 /nfs/dbraw/zinc/79/90/09/995799009.db2.gz RWVISAVLBLACFQ-HTAPYJJXSA-N -1 3 390.524 3.284 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615317 995831582 /nfs/dbraw/zinc/83/15/82/995831582.db2.gz HEHFAHMJEVEBPX-RLFYNMQTSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@H](Oc1ccc(CN2Cc3ccccc3OC3(CCOCC3)C2)cc1)C(=O)[O-] ZINC001593615961 995841821 /nfs/dbraw/zinc/84/18/21/995841821.db2.gz USZHIRGFEYEXTK-KRWDZBQOSA-N -1 3 397.471 3.482 20 0 GGADHM C[C@@H](Oc1ccc(CN2Cc3ccccc3OC3(CCOCC3)C2)cc1)C(=O)[O-] ZINC001593615962 995842172 /nfs/dbraw/zinc/84/21/72/995842172.db2.gz USZHIRGFEYEXTK-QGZVFWFLSA-N -1 3 397.471 3.482 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1)C(=O)[O-] ZINC001593616110 995843773 /nfs/dbraw/zinc/84/37/73/995843773.db2.gz WUVFCZWXLCJTFD-MRXNPFEDSA-N -1 3 387.451 3.247 20 0 GGADHM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772876 995900203 /nfs/dbraw/zinc/90/02/03/995900203.db2.gz AVECWNMSNGLILK-YJBOKZPZSA-N -1 3 387.407 3.456 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(O)(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593644080 995956548 /nfs/dbraw/zinc/95/65/48/995956548.db2.gz BLSYXRHDLJMNCR-MRXNPFEDSA-N -1 3 387.451 3.247 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644280 995959337 /nfs/dbraw/zinc/95/93/37/995959337.db2.gz GXWAIZJBYSVBMN-KSFYIVLOSA-N -1 3 387.451 3.105 20 0 GGADHM C[C@H](Oc1ccccc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001593644800 995966103 /nfs/dbraw/zinc/96/61/03/995966103.db2.gz DDXFODOMNXXVSA-WMLDXEAASA-N -1 3 392.496 3.274 20 0 GGADHM C[C@@H](Oc1ccccc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001593644798 995966599 /nfs/dbraw/zinc/96/65/99/995966599.db2.gz DDXFODOMNXXVSA-RHSMWYFYSA-N -1 3 392.496 3.274 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644810 995966614 /nfs/dbraw/zinc/96/66/14/995966614.db2.gz NBNDSQNXNBIKPJ-CVEARBPZSA-N -1 3 392.496 3.227 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644812 995966679 /nfs/dbraw/zinc/96/66/79/995966679.db2.gz NBNDSQNXNBIKPJ-HOTGVXAUSA-N -1 3 392.496 3.227 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@@H](c1c(F)cccc1F)N(C)C)C(=O)[O-] ZINC001593645292 995972328 /nfs/dbraw/zinc/97/23/28/995972328.db2.gz IQPIKTWIZVEBSV-DYVFJYSZSA-N -1 3 378.419 3.209 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@H](c1c(F)cccc1F)N(C)C)C(=O)[O-] ZINC001593645291 995972878 /nfs/dbraw/zinc/97/28/78/995972878.db2.gz IQPIKTWIZVEBSV-CXAGYDPISA-N -1 3 378.419 3.209 20 0 GGADHM C[C@H](Oc1ccccc1CNC[C@H](O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001593646107 995980011 /nfs/dbraw/zinc/98/00/11/995980011.db2.gz ODWTVOBUNNXGOJ-LRDDRELGSA-N -1 3 399.365 3.260 20 0 GGADHM C[C@H](Oc1ccccc1CNCCOc1ccc(Br)cc1)C(=O)[O-] ZINC001593649342 996001759 /nfs/dbraw/zinc/00/17/59/996001759.db2.gz SIHNHHBYNRWYMW-ZDUSSCGKSA-N -1 3 394.265 3.470 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)N1CCN(C2CCCC2)[C@@H](C)C1)C(=O)[O-] ZINC001593669092 996069036 /nfs/dbraw/zinc/06/90/36/996069036.db2.gz OXNNECHUKMUCMU-LSDHHAIUSA-N -1 3 376.522 3.341 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)N1CCN(C2CCCC2)[C@H](C)C1)C(=O)[O-] ZINC001593669089 996069079 /nfs/dbraw/zinc/06/90/79/996069079.db2.gz OXNNECHUKMUCMU-CABCVRRESA-N -1 3 376.522 3.341 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)N1CCN(C2CCCC2)[C@@H](C)C1)C(=O)[O-] ZINC001593669090 996069302 /nfs/dbraw/zinc/06/93/02/996069302.db2.gz OXNNECHUKMUCMU-GJZGRUSLSA-N -1 3 376.522 3.341 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC001598802199 996148464 /nfs/dbraw/zinc/14/84/64/996148464.db2.gz FRDWGXJLTMVESG-BEFAXECRSA-N -1 3 383.444 3.347 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001598802202 996148505 /nfs/dbraw/zinc/14/85/05/996148505.db2.gz FRDWGXJLTMVESG-KXBFYZLASA-N -1 3 383.444 3.347 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(-c3cccs3)c2)[C@H](C(=O)[O-])C1 ZINC001598802481 996151222 /nfs/dbraw/zinc/15/12/22/996151222.db2.gz GVGSVYQTLUXBHH-BBRMVZONSA-N -1 3 377.437 3.392 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(-c3cccs3)c2)[C@@H](C(=O)[O-])C1 ZINC001598802483 996151518 /nfs/dbraw/zinc/15/15/18/996151518.db2.gz GVGSVYQTLUXBHH-CZUORRHYSA-N -1 3 377.437 3.392 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(-c3cccs3)c2)[C@@H](C(=O)[O-])C1 ZINC001598802484 996151592 /nfs/dbraw/zinc/15/15/92/996151592.db2.gz GVGSVYQTLUXBHH-XJKSGUPXSA-N -1 3 377.437 3.392 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)[C@H](C(=O)[O-])C1 ZINC001598806033 996187466 /nfs/dbraw/zinc/18/74/66/996187466.db2.gz YRZXHCQROAEWEE-KXBFYZLASA-N -1 3 387.407 3.456 20 0 GGADHM C[C@@H](c1ccccc1F)N1CCC[C@H](NCc2cc(C(=O)[O-])cs2)C1=O ZINC001593717676 996236951 /nfs/dbraw/zinc/23/69/51/996236951.db2.gz PVZUDOUMOWNHCO-SJCJKPOMSA-N -1 3 376.453 3.427 20 0 GGADHM C[C@H](c1ccccc1F)N1CCC[C@@H](NCc2cc(C(=O)[O-])cs2)C1=O ZINC001593717678 996237095 /nfs/dbraw/zinc/23/70/95/996237095.db2.gz PVZUDOUMOWNHCO-SJKOYZFVSA-N -1 3 376.453 3.427 20 0 GGADHM COC(=O)C[C@@H]1CCCN1Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598846159 996568034 /nfs/dbraw/zinc/56/80/34/996568034.db2.gz DOSKDDYRJSECSL-IBGZPJMESA-N -1 3 383.444 3.491 20 0 GGADHM CC1(C)[C@@H](NCC(=O)Nc2ccccc2C(=O)[O-])C[C@@H]1OCc1ccccc1 ZINC001593834295 996584683 /nfs/dbraw/zinc/58/46/83/996584683.db2.gz CHGWVANMTFRZLT-OALUTQOASA-N -1 3 382.460 3.297 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC001593878650 996704978 /nfs/dbraw/zinc/70/49/78/996704978.db2.gz WBOUENJUVJGSAL-INIZCTEOSA-N -1 3 387.524 3.032 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC001593878651 996705108 /nfs/dbraw/zinc/70/51/08/996705108.db2.gz WBOUENJUVJGSAL-MRXNPFEDSA-N -1 3 387.524 3.032 20 0 GGADHM COC(=O)COc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC001598868238 996722014 /nfs/dbraw/zinc/72/20/14/996722014.db2.gz LPJZZGPKBUIXTO-KRWDZBQOSA-N -1 3 398.242 3.461 20 0 GGADHM COCc1c(C)cc(C)c(CN[C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)c1C ZINC001599278251 996847173 /nfs/dbraw/zinc/84/71/73/996847173.db2.gz JDXFZBDZHHJUDS-NRFANRHFSA-N -1 3 396.487 3.500 20 0 GGADHM COc1cc([C@@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC001599388435 996987361 /nfs/dbraw/zinc/98/73/61/996987361.db2.gz CUHWEDONPMCMKR-HUUCEWRRSA-N -1 3 384.476 3.211 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001599498733 997069423 /nfs/dbraw/zinc/06/94/23/997069423.db2.gz GMUUISLZYUDQGG-UKRRQHHQSA-N -1 3 378.469 3.129 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001599498736 997069750 /nfs/dbraw/zinc/06/97/50/997069750.db2.gz GMUUISLZYUDQGG-ZFWWWQNUSA-N -1 3 378.469 3.129 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC001599499435 997085591 /nfs/dbraw/zinc/08/55/91/997085591.db2.gz BLXPCNJLXJPVHL-SFHVURJKSA-N -1 3 386.492 3.008 20 0 GGADHM COC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1c1ccccc1 ZINC001598897739 997114445 /nfs/dbraw/zinc/11/44/45/997114445.db2.gz ISCWMHBNGFOCGH-PMUMKWKESA-N -1 3 391.826 3.493 20 0 GGADHM COC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])sc2C)C[C@H]1c1ccc(F)cc1F ZINC001598898679 997130881 /nfs/dbraw/zinc/13/08/81/997130881.db2.gz HBKIPASGSZZFOV-LSDHHAIUSA-N -1 3 395.427 3.422 20 0 GGADHM COC1(CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCCCC1 ZINC001599090039 997174817 /nfs/dbraw/zinc/17/48/17/997174817.db2.gz YKMZLODPABDEKD-GOSISDBHSA-N -1 3 380.916 3.433 20 0 GGADHM COC1(OC)CC2(CN(Cc3cc(C(=O)[O-])c4n3CCCC4)[C@@H]2C(C)C)C1 ZINC001599093330 997232260 /nfs/dbraw/zinc/23/22/60/997232260.db2.gz GTMISKHLPSLDTI-GOSISDBHSA-N -1 3 376.497 3.132 20 0 GGADHM C[C@]1([C@@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)COC(=O)N1 ZINC001593992681 997274977 /nfs/dbraw/zinc/27/49/77/997274977.db2.gz NAPORLUBFGUKHH-OVWKYPIYSA-N -1 3 387.263 3.330 20 0 GGADHM CC1([C@@H]2CCCN(Cc3ccc(C(=O)[O-])cc3Br)C2)OCCO1 ZINC001593993890 997287297 /nfs/dbraw/zinc/28/72/97/997287297.db2.gz ZULGLFYXGKMRLZ-CQSZACIVSA-N -1 3 384.270 3.122 20 0 GGADHM COc1cc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c(Br)cn1 ZINC001599406621 997317753 /nfs/dbraw/zinc/31/77/53/997317753.db2.gz HXNXAFHVEKJWJK-SFHVURJKSA-N -1 3 391.265 3.081 20 0 GGADHM COc1cc(CN2CCC[C@@H](CCO)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406747 997320676 /nfs/dbraw/zinc/32/06/76/997320676.db2.gz AYFIZHNMPRTANM-HNNXBMFYSA-N -1 3 389.448 3.160 20 0 GGADHM COc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407176 997332310 /nfs/dbraw/zinc/33/23/10/997332310.db2.gz OTYOQFUTAZKOLB-ZIAGYGMSSA-N -1 3 389.448 3.014 20 0 GGADHM COc1cc(CN2CCC(CCO)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407783 997358485 /nfs/dbraw/zinc/35/84/85/997358485.db2.gz YVGHGVIJRIHDBA-UHFFFAOYSA-N -1 3 389.448 3.160 20 0 GGADHM COc1cc(CN2CCCCC[C@H]2CCO)c(Br)cc1C(=O)[O-] ZINC001599407881 997360107 /nfs/dbraw/zinc/36/01/07/997360107.db2.gz UBZCBLBPUJVPPS-ZDUSSCGKSA-N -1 3 386.286 3.283 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001599514973 997367922 /nfs/dbraw/zinc/36/79/22/997367922.db2.gz BFWVOQUBUTWUHW-LIRRHRJNSA-N -1 3 385.464 3.308 20 0 GGADHM COc1cc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(Br)cn1 ZINC001599408405 997374762 /nfs/dbraw/zinc/37/47/62/997374762.db2.gz VVZUNNZPLLVOTF-HUUCEWRRSA-N -1 3 391.265 3.153 20 0 GGADHM COC[C@H]1CCCCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)C1 ZINC001599204637 997383754 /nfs/dbraw/zinc/38/37/54/997383754.db2.gz QBGDWHTYLPLUAS-LBPRGKRZSA-N -1 3 386.286 3.404 20 0 GGADHM COc1cc(CNCc2ccc(CO)cc2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599415241 997495349 /nfs/dbraw/zinc/49/53/49/997495349.db2.gz LIKBZGKNOGEZFS-UHFFFAOYSA-N -1 3 397.427 3.348 20 0 GGADHM COc1cc(CNCC2(C3(O)CCC3)CCC2)c(Br)cc1C(=O)[O-] ZINC001599415727 997505415 /nfs/dbraw/zinc/50/54/15/997505415.db2.gz QIMPBGIENTYWHU-UHFFFAOYSA-N -1 3 398.297 3.331 20 0 GGADHM COc1cc(CN[C@H]2C[C@@H](OC)C23CCC3)c(Br)cc1C(=O)[O-] ZINC001599415947 997509194 /nfs/dbraw/zinc/50/91/94/997509194.db2.gz VCLIIXMLJRCERI-LSDHHAIUSA-N -1 3 384.270 3.203 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599417864 997541966 /nfs/dbraw/zinc/54/19/66/997541966.db2.gz FWJVLTPQMAULDX-FXHACXQTSA-N -1 3 380.872 3.313 20 0 GGADHM COc1ccc([C@H](N[C@H](C)CC(=O)Nc2cccc(C)c2)C(=O)[O-])c(OC)c1 ZINC001599526822 997573282 /nfs/dbraw/zinc/57/32/82/997573282.db2.gz FCCAWBKLWDJWGK-VLIAUNLRSA-N -1 3 386.448 3.145 20 0 GGADHM COc1ccc([C@@H](NC[C@@H](O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1O ZINC001599527754 997592909 /nfs/dbraw/zinc/59/29/09/997592909.db2.gz QGMQBYNZSMMCJU-GDBMZVCRSA-N -1 3 386.231 3.157 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC001599527869 997593822 /nfs/dbraw/zinc/59/38/22/997593822.db2.gz KZHXVPAQQWKYKU-FPOVZHCZSA-N -1 3 384.476 3.457 20 0 GGADHM COc1ccc([C@H](NCc2cc(C)cc(Br)c2)C(=O)[O-])cc1O ZINC001599530309 997637398 /nfs/dbraw/zinc/63/73/98/997637398.db2.gz BGCYXMBOMVZUMN-INIZCTEOSA-N -1 3 380.238 3.387 20 0 GGADHM COc1ccc([C@H](O)C2CCN(Cc3ccccc3OCC(=O)[O-])CC2)cc1 ZINC001599530916 997651052 /nfs/dbraw/zinc/65/10/52/997651052.db2.gz BEMURCZDLQGAEJ-QFIPXVFZSA-N -1 3 385.460 3.104 20 0 GGADHM COc1ccc([C@H](O)C2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001599530933 997651231 /nfs/dbraw/zinc/65/12/31/997651231.db2.gz BRCWHACJWZYEDN-AOMKIAJQSA-N -1 3 399.487 3.493 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(OCc3ccccn3)cc2)C(=O)[O-])cc1O ZINC001599531331 997659167 /nfs/dbraw/zinc/65/91/67/997659167.db2.gz KCDSWYQYJZRKDF-OAQYLSRUSA-N -1 3 394.427 3.290 20 0 GGADHM COC(=O)c1cc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc(C(=O)OC)c1 ZINC001598930573 997745183 /nfs/dbraw/zinc/74/51/83/997745183.db2.gz QOQCBZUBCDLGOP-SFHVURJKSA-N -1 3 399.443 3.202 20 0 GGADHM COC(=O)c1cc(CN2CC[C@]3(C2)CCc2ccccc2O3)cc(C(=O)[O-])c1 ZINC001598931249 997759894 /nfs/dbraw/zinc/75/98/94/997759894.db2.gz ICQOPQZCPJJRHF-QFIPXVFZSA-N -1 3 381.428 3.141 20 0 GGADHM COc1ccc(C2=NO[C@H](CNCc3c4ccccc4[nH]c3C(=O)[O-])C2)cc1 ZINC001599537393 997768587 /nfs/dbraw/zinc/76/85/87/997768587.db2.gz PAHJQDUALHSSBB-HNNXBMFYSA-N -1 3 379.416 3.158 20 0 GGADHM C[C@@]1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCN(Cc2ccccc2)C1 ZINC001594057045 997806537 /nfs/dbraw/zinc/80/65/37/997806537.db2.gz HCQYMFFTBNYIFJ-HXUWFJFHSA-N -1 3 389.402 3.449 20 0 GGADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)n(C)c1C ZINC001598933383 997813575 /nfs/dbraw/zinc/81/35/75/997813575.db2.gz YMRYKGOHVRHFNS-HNNXBMFYSA-N -1 3 384.354 3.054 20 0 GGADHM COc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1C(=O)[O-] ZINC001599436859 997862445 /nfs/dbraw/zinc/86/24/45/997862445.db2.gz CGRYRBWFRXXXNH-GOSISDBHSA-N -1 3 383.448 3.352 20 0 GGADHM COCCN(C(=O)OC(C)(C)C)C1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001599232133 997879797 /nfs/dbraw/zinc/87/97/97/997879797.db2.gz IDVGNWQGXIFHGH-INIZCTEOSA-N -1 3 398.525 3.222 20 0 GGADHM COc1c(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1C(=O)[O-] ZINC001599340698 997917099 /nfs/dbraw/zinc/91/70/99/997917099.db2.gz MMKYZEPJYUZCKW-PBHICJAKSA-N -1 3 383.448 3.178 20 0 GGADHM COC(=O)c1cc(NC(=O)CN2CCC[C@H]2C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598938940 997925396 /nfs/dbraw/zinc/92/53/96/997925396.db2.gz HCISNAREFPZUDA-SFHVURJKSA-N -1 3 388.464 3.155 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](CC(C)C)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598938938 997925452 /nfs/dbraw/zinc/92/54/52/997925452.db2.gz HCHRKOCOWKUKEZ-LJQANCHMSA-N -1 3 398.459 3.487 20 0 GGADHM COc1c(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cccc1C(=O)[O-] ZINC001599341197 997925515 /nfs/dbraw/zinc/92/55/15/997925515.db2.gz PZDZCFQPAZODEB-GOSISDBHSA-N -1 3 383.448 3.352 20 0 GGADHM COC(=O)c1cc(NC(=O)CN(C)[C@@H](C)C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598939642 997941077 /nfs/dbraw/zinc/94/10/77/997941077.db2.gz CWLPRSCKWKUMHJ-ZDUSSCGKSA-N -1 3 376.453 3.011 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCCN(c3ccccc3F)CC2)c1 ZINC001599450594 998088567 /nfs/dbraw/zinc/08/85/67/998088567.db2.gz HVMMCICFXDLZDL-FQEVSTJZSA-N -1 3 388.439 3.181 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450575 998088829 /nfs/dbraw/zinc/08/88/29/998088829.db2.gz HNQATMHVLKCHON-OAQYLSRUSA-N -1 3 398.503 3.426 20 0 GGADHM COc1ccc(CN(C)C(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC001599557151 998114121 /nfs/dbraw/zinc/11/41/21/998114121.db2.gz RXJDGLGIHYFXJJ-HXUWFJFHSA-N -1 3 384.476 3.095 20 0 GGADHM COc1ccc(CN(C)C(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC001599557149 998114506 /nfs/dbraw/zinc/11/45/06/998114506.db2.gz RXJDGLGIHYFXJJ-FQEVSTJZSA-N -1 3 384.476 3.095 20 0 GGADHM COc1cc(OC)cc([C@@H](OC(=O)c2cccc(CN3CCCC3)c2)C(=O)[O-])c1 ZINC001599451950 998118767 /nfs/dbraw/zinc/11/87/67/998118767.db2.gz CRDNDBQVTCINHX-HXUWFJFHSA-N -1 3 399.443 3.282 20 0 GGADHM COc1ccc(CN(CC(=O)[O-])Cc2cccc(Br)c2)cc1O ZINC001599559197 998156327 /nfs/dbraw/zinc/15/63/27/998156327.db2.gz ZDJLWEFALPULIR-UHFFFAOYSA-N -1 3 380.238 3.250 20 0 GGADHM COc1ccc(CN(Cc2cc(C(=O)[O-])ccc2OC)[C@H](CO)C(C)C)cc1 ZINC001599559268 998158229 /nfs/dbraw/zinc/15/82/29/998158229.db2.gz YFAWDGDZCWJWSU-HXUWFJFHSA-N -1 3 387.476 3.421 20 0 GGADHM COc1cc(OC)cc(N2CCCN(Cc3[nH]cc(C(=O)[O-])c3C3CC3)CC2)c1 ZINC001599454937 998172493 /nfs/dbraw/zinc/17/24/93/998172493.db2.gz QUSLTTNEVAZXEL-UHFFFAOYSA-N -1 3 399.491 3.320 20 0 GGADHM COc1cc(C(=O)[O-])cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1OC ZINC001599357711 998207290 /nfs/dbraw/zinc/20/72/90/998207290.db2.gz BIXATCHMOXEPBY-GHMZBOCLSA-N -1 3 391.342 3.088 20 0 GGADHM COc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599564808 998265776 /nfs/dbraw/zinc/26/57/76/998265776.db2.gz ULTMNBMDSRSCRY-HXUWFJFHSA-N -1 3 377.444 3.124 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2C)c1 ZINC001598960228 998316427 /nfs/dbraw/zinc/31/64/27/998316427.db2.gz DTOHCMRASJVYRW-ZIAGYGMSSA-N -1 3 384.432 3.158 20 0 GGADHM COc1cc2c(cc1CN[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)O[C@H](C)C2 ZINC001599463666 998319860 /nfs/dbraw/zinc/31/98/60/998319860.db2.gz SKTLPTHUZWFQKZ-ZIAGYGMSSA-N -1 3 398.459 3.224 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)s2)c1 ZINC001598961739 998344234 /nfs/dbraw/zinc/34/42/34/998344234.db2.gz WRMVQWIOJCFCFK-VXGBXAGGSA-N -1 3 390.461 3.219 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C(C)(C)C)C1 ZINC001598965035 998400882 /nfs/dbraw/zinc/40/08/82/998400882.db2.gz GSCLBGOEGLSPRX-DZGCQCFKSA-N -1 3 390.480 3.257 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC001599371474 998416472 /nfs/dbraw/zinc/41/64/72/998416472.db2.gz RJWWHNQRFHGJOT-UHFFFAOYSA-N -1 3 377.466 3.051 20 0 GGADHM COc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599470538 998443451 /nfs/dbraw/zinc/44/34/51/998443451.db2.gz XKERAYIPVGOLBX-UHFFFAOYSA-N -1 3 381.432 3.181 20 0 GGADHM COc1ccc(Cl)cc1[C@H](O)CNCc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001599578875 998492318 /nfs/dbraw/zinc/49/23/18/998492318.db2.gz GPWQPAOQGJOWOY-BLLLJJGKSA-N -1 3 379.840 3.024 20 0 GGADHM COC(=O)c1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1Cl ZINC001598972312 998540095 /nfs/dbraw/zinc/54/00/95/998540095.db2.gz OSAWNCJAOXDKKM-QGZVFWFLSA-N -1 3 377.824 3.393 20 0 GGADHM COC(=O)c1ccc(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001598973039 998553154 /nfs/dbraw/zinc/55/31/54/998553154.db2.gz WFNXGDWFJZFZBE-UHFFFAOYSA-N -1 3 377.824 3.336 20 0 GGADHM COCO[C@@H](C)c1cc(F)c(CN(C)C[C@H](C)C(=O)[O-])cc1Br ZINC001599273728 998579595 /nfs/dbraw/zinc/57/95/95/998579595.db2.gz YBLFQVWSUIHOEG-QWRGUYRKSA-N -1 3 392.265 3.422 20 0 GGADHM COCO[C@H](C)c1cc(F)c(CN(C)C[C@H](C)C(=O)[O-])cc1Br ZINC001599273729 998580070 /nfs/dbraw/zinc/58/00/70/998580070.db2.gz YBLFQVWSUIHOEG-WDEREUQCSA-N -1 3 392.265 3.422 20 0 GGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166015 998622284 /nfs/dbraw/zinc/62/22/84/998622284.db2.gz MGZWTHVSMSIPQW-HEFCMCLBSA-N -1 3 386.879 3.341 20 0 GGADHM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166014 998622790 /nfs/dbraw/zinc/62/27/90/998622790.db2.gz MGZWTHVSMSIPQW-DJKXOVBDSA-N -1 3 386.879 3.341 20 0 GGADHM C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001594176589 998679361 /nfs/dbraw/zinc/67/93/61/998679361.db2.gz IUOZEXDLVAZJBO-KSZLIROESA-N -1 3 395.503 3.307 20 0 GGADHM C[C@@H]1[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1Cc1ccccc1 ZINC001594189898 998736468 /nfs/dbraw/zinc/73/64/68/998736468.db2.gz CKCGGFHKAXVRAX-SJKOYZFVSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCN1Cc1ccccc1 ZINC001594190551 998740065 /nfs/dbraw/zinc/74/00/65/998740065.db2.gz JDRMGVTUZYUGTC-FOIQADDNSA-N -1 3 379.460 3.073 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCN1Cc1ccccc1 ZINC001594190742 998742183 /nfs/dbraw/zinc/74/21/83/998742183.db2.gz MAZVETQXABHDTC-IERDGZPVSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCN1Cc1ccccc1 ZINC001594191598 998749708 /nfs/dbraw/zinc/74/97/08/998749708.db2.gz AZKHTYLWVVMVCL-DYVFJYSZSA-N -1 3 393.447 3.046 20 0 GGADHM COC(=O)c1cccc([C@H](N[C@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC001598993052 998754559 /nfs/dbraw/zinc/75/45/59/998754559.db2.gz BKKNPYNFLOMDDX-YJYMSZOUSA-N -1 3 387.432 3.275 20 0 GGADHM COC(=O)c1cccc([C@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)[O-])c1 ZINC001598998590 998803559 /nfs/dbraw/zinc/80/35/59/998803559.db2.gz QOTUFEVAYNBJKP-PMACEKPBSA-N -1 3 397.427 3.111 20 0 GGADHM COC(=O)c1cnc([C@@H]2CCCN(Cc3cc(C(=O)[O-])sc3C)C2)s1 ZINC001599008939 998880585 /nfs/dbraw/zinc/88/05/85/998880585.db2.gz HEGIIERDJNNWNT-LLVKDONJSA-N -1 3 380.491 3.377 20 0 GGADHM COC(=O)c1cnc([C@@H]2CCCN([C@H](C(=O)[O-])c3ccccc3F)C2)s1 ZINC001599009605 998886125 /nfs/dbraw/zinc/88/61/25/998886125.db2.gz QXFRXVJOOZEIHZ-ABAIWWIYSA-N -1 3 378.425 3.074 20 0 GGADHM COC(=O)c1cnc(CC2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)s1 ZINC001599009552 998886454 /nfs/dbraw/zinc/88/64/54/998886454.db2.gz PIXBFJFPLIUBDW-UHFFFAOYSA-N -1 3 394.518 3.453 20 0 GGADHM COC(=O)c1oc([C@H](C)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599017542 998951575 /nfs/dbraw/zinc/95/15/75/998951575.db2.gz KLELHCWEWXDQIM-NWDGAFQWSA-N -1 3 378.450 3.470 20 0 GGADHM C[C@H]1C[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CN1Cc1ccccc1 ZINC001594253642 998976506 /nfs/dbraw/zinc/97/65/06/998976506.db2.gz ROXLEROWQMSLIY-KKSFZXQISA-N -1 3 393.487 3.116 20 0 GGADHM CO[C@H](C(=O)[O-])c1ccccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001599026464 999019395 /nfs/dbraw/zinc/01/93/95/999019395.db2.gz LMMWBSRWHBAVMZ-NQIIRXRSSA-N -1 3 385.460 3.129 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001594275170 999064507 /nfs/dbraw/zinc/06/45/07/999064507.db2.gz NVFPDGWBKJPZQM-XOKHGSTOSA-N -1 3 393.915 3.228 20 0 GGADHM C[C@@H]1CC[C@](NCc2cc(=O)n3cc(Cl)ccc3n2)(C(=O)[O-])c2ccccc21 ZINC001594320709 999231857 /nfs/dbraw/zinc/23/18/57/999231857.db2.gz MVHNUFXKVLQTBQ-LRTDBIEQSA-N -1 3 397.862 3.315 20 0 GGADHM C[C@@H]1CC[C@](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)(C(=O)[O-])c2ccccc21 ZINC001594324486 999251709 /nfs/dbraw/zinc/25/17/09/999251709.db2.gz ZJKHDCKMLGYBDX-PUCZYUMASA-N -1 3 376.472 3.193 20 0 GGADHM C[C@@H]1CCCN(Cc2cncc(C(=O)[O-])c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594382737 999443775 /nfs/dbraw/zinc/44/37/75/999443775.db2.gz BECVYJQNSBQGDA-PBHICJAKSA-N -1 3 377.485 3.295 20 0 GGADHM C[C@H]1CCCN(Cc2cncc(C(=O)[O-])c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594382739 999443866 /nfs/dbraw/zinc/44/38/66/999443866.db2.gz BECVYJQNSBQGDA-WMLDXEAASA-N -1 3 377.485 3.295 20 0 GGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])n2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594383376 999447626 /nfs/dbraw/zinc/44/76/26/999447626.db2.gz ISCXPNYKCLDZDQ-ZBFHGGJFSA-N -1 3 379.501 3.239 20 0 GGADHM C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])n2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594383825 999451270 /nfs/dbraw/zinc/45/12/70/999451270.db2.gz MAHUCVVOABTGMH-RHSMWYFYSA-N -1 3 377.485 3.295 20 0 GGADHM C[C@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001594384279 999454549 /nfs/dbraw/zinc/45/45/49/999454549.db2.gz QGZXTCIIWCXUMD-MAUKXSAKSA-N -1 3 392.496 3.389 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)c2cccs2)CC1 ZINC001594412272 999540742 /nfs/dbraw/zinc/54/07/42/999540742.db2.gz KFPKLIJKPLRRCS-KRWDZBQOSA-N -1 3 393.553 3.417 20 0 GGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001594412534 999541792 /nfs/dbraw/zinc/54/17/92/999541792.db2.gz OLYFVPVCSXLMSN-OWCLPIDISA-N -1 3 379.526 3.026 20 0 GGADHM C[C@@H]1CCc2c(sc3nc(CN4C[C@@H]5CCC[C@H]5[C@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444155 999633007 /nfs/dbraw/zinc/63/30/07/999633007.db2.gz NIJQHEPFWSYRTD-DRAKQNMHSA-N -1 3 386.521 3.083 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1cnc(-c2ccccc2F)s1)C(=O)[O-] ZINC000417659054 1126080891 /nfs/dbraw/zinc/08/08/91/1126080891.db2.gz GVUFXCPHBCDWFF-AWEZNQCLSA-N -1 3 380.441 3.224 20 0 GGADHM COc1cc(-c2ccccc2)ccc1CN[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000426727803 1126083536 /nfs/dbraw/zinc/08/35/36/1126083536.db2.gz QMDVUOBSTCLOFR-FQEVSTJZSA-N -1 3 379.460 3.419 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1ccn(-c2ccccc2)n1 ZINC000426821533 1126092528 /nfs/dbraw/zinc/09/25/28/1126092528.db2.gz UEGJUDQLWODSJL-GOSISDBHSA-N -1 3 387.386 3.259 20 0 GGADHM CCc1cccc2cc(CN[C@@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])oc21 ZINC000656572792 1126104275 /nfs/dbraw/zinc/10/42/75/1126104275.db2.gz MBRAJWIEPLGPMQ-AWEZNQCLSA-N -1 3 381.354 3.454 20 0 GGADHM CCc1[nH]nc(Cl)c1CN[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000900034144 1126127664 /nfs/dbraw/zinc/12/76/64/1126127664.db2.gz SLICTJIQWCWUMT-CYBMUJFWSA-N -1 3 386.677 3.174 20 0 GGADHM CCc1[nH]nc(Cl)c1CN[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000900038967 1126127936 /nfs/dbraw/zinc/12/79/36/1126127936.db2.gz WDIIFARAFBTZHG-CYBMUJFWSA-N -1 3 386.677 3.174 20 0 GGADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cc(Br)c(Cl)s1 ZINC001339024291 1126181022 /nfs/dbraw/zinc/18/10/22/1126181022.db2.gz CFCNMVSRDVLZMJ-VIFPVBQESA-N -1 3 399.097 3.257 20 0 GGADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1ccc(Br)cc1Cl ZINC001343648906 1126182391 /nfs/dbraw/zinc/18/23/91/1126182391.db2.gz UJRMTASPKYHXQY-LBPRGKRZSA-N -1 3 393.068 3.195 20 0 GGADHM Cc1cc(CN[C@H](Cc2cncs2)C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC001600208120 1126218494 /nfs/dbraw/zinc/21/84/94/1126218494.db2.gz XRVLXLBCVKLWNW-MRXNPFEDSA-N -1 3 388.880 3.347 20 0 GGADHM Cc1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)oc1C(=O)[O-] ZINC001600208040 1126218523 /nfs/dbraw/zinc/21/85/23/1126218523.db2.gz ZHHBUBRMKBKZNZ-GOSISDBHSA-N -1 3 394.265 3.058 20 0 GGADHM Cc1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)oc1C(=O)[O-] ZINC001600208042 1126218534 /nfs/dbraw/zinc/21/85/34/1126218534.db2.gz ZHHBUBRMKBKZNZ-SFHVURJKSA-N -1 3 394.265 3.058 20 0 GGADHM Cc1cnc(CN[C@@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)s1 ZINC001600620910 1126219656 /nfs/dbraw/zinc/21/96/56/1126219656.db2.gz HLTYTLQLOQPULR-INIZCTEOSA-N -1 3 381.295 3.316 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1Br)NCc1nc(Cl)cs1 ZINC001608542925 1126237635 /nfs/dbraw/zinc/23/76/35/1126237635.db2.gz ZQAPXAFZIVTPMX-JTQLQIEISA-N -1 3 375.675 3.345 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000006315477 209125852 /nfs/dbraw/zinc/12/58/52/209125852.db2.gz BYJKUUMVLNOBEG-UHFFFAOYSA-N -1 3 398.488 3.481 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000064374723 206261344 /nfs/dbraw/zinc/26/13/44/206261344.db2.gz KIBLEDITWGNSAK-UHFFFAOYSA-N -1 3 394.880 3.449 20 0 GGADHM CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000359995628 206277170 /nfs/dbraw/zinc/27/71/70/206277170.db2.gz OYONERMWBQAVJP-ZDUSSCGKSA-N -1 3 387.396 3.028 20 0 GGADHM CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000359995628 206277175 /nfs/dbraw/zinc/27/71/75/206277175.db2.gz OYONERMWBQAVJP-ZDUSSCGKSA-N -1 3 387.396 3.028 20 0 GGADHM Cc1cc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)ccc1C(C)C ZINC000014370795 207020913 /nfs/dbraw/zinc/02/09/13/207020913.db2.gz SAISPIFLCYKODA-UHFFFAOYSA-N -1 3 385.489 3.454 20 0 GGADHM Cc1oc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)c1C ZINC000015831683 207063312 /nfs/dbraw/zinc/06/33/12/207063312.db2.gz HFLYIIRGOSMQFH-UHFFFAOYSA-N -1 3 390.383 3.298 20 0 GGADHM COc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000020888913 207218502 /nfs/dbraw/zinc/21/85/02/207218502.db2.gz NHQPPNFVXNGYTN-LLVKDONJSA-N -1 3 393.852 3.438 20 0 GGADHM CC1CCN(C(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)CC1 ZINC000021113107 207225401 /nfs/dbraw/zinc/22/54/01/207225401.db2.gz PNTLPELRUQWIFK-UHFFFAOYSA-N -1 3 380.901 3.388 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000021880994 207240538 /nfs/dbraw/zinc/24/05/38/207240538.db2.gz KFNFPDUMQVXJTE-UHFFFAOYSA-N -1 3 380.853 3.424 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000022263630 207250590 /nfs/dbraw/zinc/25/05/90/207250590.db2.gz LZAZCRINARUSJA-HUUCEWRRSA-N -1 3 383.448 3.208 20 0 GGADHM C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000022263634 207251571 /nfs/dbraw/zinc/25/15/71/207251571.db2.gz LZAZCRINARUSJA-GASCZTMLSA-N -1 3 383.448 3.208 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000023078719 207268437 /nfs/dbraw/zinc/26/84/37/207268437.db2.gz BISYMDAPBHVCGT-MAUKXSAKSA-N -1 3 392.496 3.020 20 0 GGADHM COc1cccc(Cc2cnc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)s2)c1 ZINC000024031411 207285672 /nfs/dbraw/zinc/28/56/72/207285672.db2.gz ZUESTXGLQDSCST-UHFFFAOYSA-N -1 3 394.460 3.049 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1nc2ccccc2s1 ZINC000024882735 207297849 /nfs/dbraw/zinc/29/78/49/207297849.db2.gz PXGICLCXLYAJMS-UHFFFAOYSA-N -1 3 375.475 3.239 20 0 GGADHM CCCN(CC(=O)Nc1ccc(F)cc1F)Cc1nc2ccsc2c(=O)[n-]1 ZINC000024843304 207296539 /nfs/dbraw/zinc/29/65/39/207296539.db2.gz WJKLPZLZLDUQTO-UHFFFAOYSA-N -1 3 392.431 3.114 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000025655699 207305625 /nfs/dbraw/zinc/30/56/25/207305625.db2.gz AEQQKDZOBLYCCP-OAHLLOKOSA-N -1 3 383.539 3.104 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1cccc2ccccc21 ZINC000026939716 207321675 /nfs/dbraw/zinc/32/16/75/207321675.db2.gz ATKGJFSEIOKHFT-UHFFFAOYSA-N -1 3 390.411 3.425 20 0 GGADHM COC(=O)c1cc(-c2csc(NC(=O)c3cc(-c4ccco4)[n-]n3)n2)c[nH]1 ZINC000030607330 207372392 /nfs/dbraw/zinc/37/23/92/207372392.db2.gz CMUBZLKLZMVRHH-UHFFFAOYSA-N -1 3 383.389 3.160 20 0 GGADHM COC(=O)c1cc(-c2csc(NC(=O)c3cc(-c4ccco4)n[n-]3)n2)c[nH]1 ZINC000030607330 207372398 /nfs/dbraw/zinc/37/23/98/207372398.db2.gz CMUBZLKLZMVRHH-UHFFFAOYSA-N -1 3 383.389 3.160 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nc3ccccc3s2)CC1)c1cccs1 ZINC000030676414 207374028 /nfs/dbraw/zinc/37/40/28/207374028.db2.gz RHXPXBHPUILOAF-UHFFFAOYSA-N -1 3 379.532 3.305 20 0 GGADHM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000031546081 207381129 /nfs/dbraw/zinc/38/11/29/207381129.db2.gz WDDJQLSFAFWQLM-UHFFFAOYSA-N -1 3 389.455 3.084 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1F ZINC000032435497 207395182 /nfs/dbraw/zinc/39/51/82/207395182.db2.gz RMCIEQUAZCODET-HNNXBMFYSA-N -1 3 382.888 3.422 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C)cc1 ZINC000095958920 208244779 /nfs/dbraw/zinc/24/47/79/208244779.db2.gz CBJGLGNAUUOTFY-UHFFFAOYSA-N -1 3 392.458 3.376 20 0 GGADHM C[C@@]1(c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)NC(=O)[N-]C1=O ZINC000095963526 208246651 /nfs/dbraw/zinc/24/66/51/208246651.db2.gz XEZLDBVQZGSQDK-FQEVSTJZSA-N -1 3 392.440 3.117 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccs3)cs2)ccc1F ZINC000095964461 208247270 /nfs/dbraw/zinc/24/72/70/208247270.db2.gz NEUMRJNYUGKUPQ-UHFFFAOYSA-N -1 3 397.478 3.171 20 0 GGADHM O=[S@@](Cc1noc(Cc2ccc(Br)cc2)n1)c1ccc([O-])cc1 ZINC000097019949 208334397 /nfs/dbraw/zinc/33/43/97/208334397.db2.gz NGQSRNNCSVXXJL-HSZRJFAPSA-N -1 3 393.262 3.436 20 0 GGADHM Cc1noc(C)c1CN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000097212551 208342721 /nfs/dbraw/zinc/34/27/21/208342721.db2.gz LSWWAKARJZVTRW-UHFFFAOYSA-N -1 3 395.337 3.304 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Br)OCCO2)c1ccccc1F ZINC000006589478 208724520 /nfs/dbraw/zinc/72/45/20/208724520.db2.gz DZRRNQWIBHDRQG-UHFFFAOYSA-N -1 3 388.214 3.160 20 0 GGADHM CC[C@@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000252489748 209035150 /nfs/dbraw/zinc/03/51/50/209035150.db2.gz JZDCVFQBSJVWAE-AUUYWEPGSA-N -1 3 388.489 3.333 20 0 GGADHM Cc1ccc(N2C(=O)C[C@H](C(=O)[N-]C3=NCCS3)[C@@H]2c2cccs2)cc1 ZINC000011499212 524922387 /nfs/dbraw/zinc/92/23/87/524922387.db2.gz ZQWIVOPBLLHXHP-WMLDXEAASA-N -1 3 385.514 3.370 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1ccc(F)c(F)c1 ZINC000014210429 564280377 /nfs/dbraw/zinc/28/03/77/564280377.db2.gz QEJYMQZPBBATOH-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1ccc(Br)s1 ZINC000121411873 564367685 /nfs/dbraw/zinc/36/76/85/564367685.db2.gz JVBFMQLGKIJKRM-GFCCVEGCSA-N -1 3 390.324 3.303 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CCc1ccc(Br)cc1 ZINC000040622217 564428406 /nfs/dbraw/zinc/42/84/06/564428406.db2.gz YKLQAGIBDRRCLX-JTQLQIEISA-N -1 3 387.299 3.354 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)cs1 ZINC000040437735 564428244 /nfs/dbraw/zinc/42/82/44/564428244.db2.gz AXRGGBSEBPCIKG-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cncc(Br)c1 ZINC000043532110 564459226 /nfs/dbraw/zinc/45/92/26/564459226.db2.gz MHEHEFSQNQJGBW-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CN1C1CC1 ZINC000124088622 564471572 /nfs/dbraw/zinc/47/15/72/564471572.db2.gz IBGYLWASUYYZIC-GXSJLCMTSA-N -1 3 393.734 3.006 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)s1 ZINC000173636250 565571715 /nfs/dbraw/zinc/57/17/15/565571715.db2.gz DSBDDJYABGYNFG-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1(C)C ZINC000541212806 566702258 /nfs/dbraw/zinc/70/22/58/566702258.db2.gz MYGFXVPXAVNXIL-NEPJUHHUSA-N -1 3 382.707 3.194 20 0 GGADHM Cc1ccnc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)n1 ZINC000470899799 564179689 /nfs/dbraw/zinc/17/96/89/564179689.db2.gz KFPGIXQWEICWKV-UHFFFAOYSA-N -1 3 394.229 3.457 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000115108399 564186129 /nfs/dbraw/zinc/18/61/29/564186129.db2.gz WAFKVPVORXGYNS-CQSZACIVSA-N -1 3 387.332 3.445 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)c1 ZINC000115312198 564190727 /nfs/dbraw/zinc/19/07/27/564190727.db2.gz XLCTYTUHEINIDG-UHFFFAOYSA-N -1 3 380.853 3.058 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3Br)cc21 ZINC000115311640 564190893 /nfs/dbraw/zinc/19/08/93/564190893.db2.gz PHHRNZNALSCLSL-UHFFFAOYSA-N -1 3 395.278 3.159 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000115454576 564193031 /nfs/dbraw/zinc/19/30/31/564193031.db2.gz SEQZRAYASQXZQR-OCCSQVGLSA-N -1 3 398.937 3.084 20 0 GGADHM Cc1cccc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000115492450 564194147 /nfs/dbraw/zinc/19/41/47/564194147.db2.gz GCRLOJDHNCUIIL-LBPRGKRZSA-N -1 3 386.926 3.174 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000115593794 564196756 /nfs/dbraw/zinc/19/67/56/564196756.db2.gz WPYYOGDVFMMYCM-SNVBAGLBSA-N -1 3 398.275 3.009 20 0 GGADHM C[C@H]1CN(C(=O)CSc2nnc([N-]c3ccccc3F)s2)C[C@H](C)O1 ZINC000003469415 564197174 /nfs/dbraw/zinc/19/71/74/564197174.db2.gz LWJKLKPILSZBDL-QWRGUYRKSA-N -1 3 382.486 3.149 20 0 GGADHM Cc1cc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)no1 ZINC000003450192 564197411 /nfs/dbraw/zinc/19/74/11/564197411.db2.gz RZVRBJLDGYOCIF-UHFFFAOYSA-N -1 3 379.829 3.064 20 0 GGADHM Cn1nnnc1SCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000004807786 564207428 /nfs/dbraw/zinc/20/74/28/564207428.db2.gz QCFFNKRHCNDZOG-UHFFFAOYSA-N -1 3 390.881 3.121 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000116357377 564208234 /nfs/dbraw/zinc/20/82/34/564208234.db2.gz UVSUMHGTWOXOEZ-DGCLKSJQSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000116357352 564208540 /nfs/dbraw/zinc/20/85/40/564208540.db2.gz ITZWDEYAFSQTGZ-NWDGAFQWSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000116357370 564208598 /nfs/dbraw/zinc/20/85/98/564208598.db2.gz UVSUMHGTWOXOEZ-YPMHNXCESA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000116357380 564208754 /nfs/dbraw/zinc/20/87/54/564208754.db2.gz UVSUMHGTWOXOEZ-WCQYABFASA-N -1 3 393.336 3.355 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nnc(C)s3)nc(=O)c2c1C ZINC000004938627 564209281 /nfs/dbraw/zinc/20/92/81/564209281.db2.gz JQXHAGUSJRECKH-SSDOTTSWSA-N -1 3 396.519 3.483 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C ZINC000116711865 564215085 /nfs/dbraw/zinc/21/50/85/564215085.db2.gz QNDKLFHUCKFQTE-XMMPIXPASA-N -1 3 381.519 3.300 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1C ZINC000116711867 564215183 /nfs/dbraw/zinc/21/51/83/564215183.db2.gz QNDKLFHUCKFQTE-DEOSSOPVSA-N -1 3 381.519 3.300 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C ZINC000116711879 564215227 /nfs/dbraw/zinc/21/52/27/564215227.db2.gz ATJVLJIGRVOGEP-XMMPIXPASA-N -1 3 381.519 3.300 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1[O-] ZINC000116979805 564220603 /nfs/dbraw/zinc/22/06/03/564220603.db2.gz VHYDSSHMNBDALR-UHFFFAOYSA-N -1 3 380.853 3.047 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CS(=O)(=O)CCCc2ccccc2)c1[O-] ZINC000116980035 564220627 /nfs/dbraw/zinc/22/06/27/564220627.db2.gz BQSLUTQPWPAHAU-UHFFFAOYSA-N -1 3 381.881 3.340 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114741 564221731 /nfs/dbraw/zinc/22/17/31/564221731.db2.gz PMCBXMSQRBZVKF-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006453021 564224294 /nfs/dbraw/zinc/22/42/94/564224294.db2.gz OLGDUHQTLAVAEC-AWEZNQCLSA-N -1 3 388.272 3.056 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000006457971 564224575 /nfs/dbraw/zinc/22/45/75/564224575.db2.gz KWUNQLVVAVRFKL-CQSZACIVSA-N -1 3 382.279 3.424 20 0 GGADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000117374922 564226666 /nfs/dbraw/zinc/22/66/66/564226666.db2.gz CWGMYCJQOGXMHN-MNOVXSKESA-N -1 3 394.921 3.390 20 0 GGADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000117374928 564226699 /nfs/dbraw/zinc/22/66/99/564226699.db2.gz CWGMYCJQOGXMHN-GHMZBOCLSA-N -1 3 394.921 3.390 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000117531315 564228514 /nfs/dbraw/zinc/22/85/14/564228514.db2.gz NJVTWWXWLMHDFH-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000117534170 564228555 /nfs/dbraw/zinc/22/85/55/564228555.db2.gz QCVPOVPRQMJQEM-UHFFFAOYSA-N -1 3 387.816 3.222 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccccc2Br)cc1 ZINC000007025864 564230839 /nfs/dbraw/zinc/23/08/39/564230839.db2.gz YDAQLUCGBFXSTM-UHFFFAOYSA-N -1 3 384.251 3.082 20 0 GGADHM O=S(=O)([N-]c1ccccc1I)c1ccccc1F ZINC000007053689 564232036 /nfs/dbraw/zinc/23/20/36/564232036.db2.gz UMYPJCZHVYDWTO-UHFFFAOYSA-N -1 3 377.178 3.231 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000007059298 564232071 /nfs/dbraw/zinc/23/20/71/564232071.db2.gz VSQGFSSZXABZMG-UHFFFAOYSA-N -1 3 389.340 3.315 20 0 GGADHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000007246318 564234490 /nfs/dbraw/zinc/23/44/90/564234490.db2.gz DZUFLBPHOQSWLZ-LLVKDONJSA-N -1 3 387.807 3.225 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)c1 ZINC000007305720 564235374 /nfs/dbraw/zinc/23/53/74/564235374.db2.gz PYWQFQHHOVSYQF-UHFFFAOYSA-N -1 3 384.860 3.321 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NC1CCCCC1 ZINC000007608969 564239187 /nfs/dbraw/zinc/23/91/87/564239187.db2.gz XGIQQCOCNAZOHX-UHFFFAOYSA-N -1 3 398.834 3.086 20 0 GGADHM C[C@H]1SCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]1C ZINC000118373433 564239509 /nfs/dbraw/zinc/23/95/09/564239509.db2.gz RELGAWJHEICQSK-NXEZZACHSA-N -1 3 381.295 3.257 20 0 GGADHM C[C@H]1SCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]1C ZINC000118373436 564239948 /nfs/dbraw/zinc/23/99/48/564239948.db2.gz RELGAWJHEICQSK-VHSXEESVSA-N -1 3 381.295 3.257 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000118438278 564240539 /nfs/dbraw/zinc/24/05/39/564240539.db2.gz KRSTYAPUNNIIKS-WBMJQRKESA-N -1 3 375.918 3.468 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c(C)c1C ZINC000007727732 564241021 /nfs/dbraw/zinc/24/10/21/564241021.db2.gz YWDLVNPIVQAXQC-UHFFFAOYSA-N -1 3 381.519 3.433 20 0 GGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(Cc2ccccc2)n1 ZINC000118635519 564243455 /nfs/dbraw/zinc/24/34/55/564243455.db2.gz DWLZGBUXWDZMFX-UHFFFAOYSA-N -1 3 378.500 3.451 20 0 GGADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2CC2)c(Cl)cc1Cl ZINC000008034861 564244293 /nfs/dbraw/zinc/24/42/93/564244293.db2.gz CXEGYENIQBTIJU-VIFPVBQESA-N -1 3 379.309 3.353 20 0 GGADHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2sccc2Br)ccn1 ZINC000118941625 564248449 /nfs/dbraw/zinc/24/84/49/564248449.db2.gz HMLVKGQPOAYYRS-UHFFFAOYSA-N -1 3 391.312 3.171 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)s1)c1cn(-c2ccccc2)nn1 ZINC000118958958 564248507 /nfs/dbraw/zinc/24/85/07/564248507.db2.gz QTWNDDQDWJKPKL-UHFFFAOYSA-N -1 3 382.898 3.196 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCc1ccco1 ZINC000008521617 564250131 /nfs/dbraw/zinc/25/01/31/564250131.db2.gz NCCYMCGRMYFISH-NSHDSACASA-N -1 3 388.283 3.350 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000009115324 564253363 /nfs/dbraw/zinc/25/33/63/564253363.db2.gz IFPXNKZWNUSJPO-AWEZNQCLSA-N -1 3 385.873 3.342 20 0 GGADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000010388787 564257043 /nfs/dbraw/zinc/25/70/43/564257043.db2.gz ZJCZRDSFVUWQFQ-NSHDSACASA-N -1 3 397.294 3.312 20 0 GGADHM C[C@H](c1ccccc1Br)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119145931 564257130 /nfs/dbraw/zinc/25/71/30/564257130.db2.gz LXQWVUDBLBIUOV-SNVBAGLBSA-N -1 3 389.253 3.270 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000119179701 564257850 /nfs/dbraw/zinc/25/78/50/564257850.db2.gz KTVZEZCSFPNUES-LSDHHAIUSA-N -1 3 383.286 3.302 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000119201905 564258887 /nfs/dbraw/zinc/25/88/87/564258887.db2.gz YIKJHNHJJDSENQ-KDOFPFPSSA-N -1 3 381.519 3.352 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000119202116 564259363 /nfs/dbraw/zinc/25/93/63/564259363.db2.gz YIKJHNHJJDSENQ-RDTXWAMCSA-N -1 3 381.519 3.352 20 0 GGADHM CC(=O)[C@@H](NC(=O)CSc1nnc([N-]c2ccccc2F)s1)C(C)C ZINC000010766415 564259686 /nfs/dbraw/zinc/25/96/86/564259686.db2.gz GWXGUHAEZWFEIH-AWEZNQCLSA-N -1 3 382.486 3.243 20 0 GGADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2nccn2C)cc1 ZINC000010749702 564260424 /nfs/dbraw/zinc/26/04/24/564260424.db2.gz HPEJSFIWGCKKPN-OAHLLOKOSA-N -1 3 397.909 3.212 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)c1c(C)noc1C ZINC000119283995 564262872 /nfs/dbraw/zinc/26/28/72/564262872.db2.gz USULRXZFIBRYCH-CQSZACIVSA-N -1 3 385.873 3.333 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000011717713 564264550 /nfs/dbraw/zinc/26/45/50/564264550.db2.gz RYMBYPKKWUUWSP-HNNXBMFYSA-N -1 3 380.466 3.164 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000011720911 564264607 /nfs/dbraw/zinc/26/46/07/564264607.db2.gz DUJDTYRHDRJCQB-OAHLLOKOSA-N -1 3 380.466 3.164 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCc2c1cccc2O ZINC000119305641 564264785 /nfs/dbraw/zinc/26/47/85/564264785.db2.gz RBJRLQXOQVYXKG-CQSZACIVSA-N -1 3 377.238 3.347 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]CCc2ccco2)cc1Cl ZINC000119323847 564265205 /nfs/dbraw/zinc/26/52/05/564265205.db2.gz WWIQNHWROOCZLA-UHFFFAOYSA-N -1 3 394.674 3.225 20 0 GGADHM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1c(Cl)cccc1Cl ZINC000012141534 564265617 /nfs/dbraw/zinc/26/56/17/564265617.db2.gz XOHBDENQDDXHBG-UHFFFAOYSA-N -1 3 385.316 3.330 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1c(C)noc1C ZINC000119341052 564265735 /nfs/dbraw/zinc/26/57/35/564265735.db2.gz XQTWVVFQIYJSMA-AWEZNQCLSA-N -1 3 386.857 3.161 20 0 GGADHM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1ccc(Cl)c(Cl)c1 ZINC000012141493 564265837 /nfs/dbraw/zinc/26/58/37/564265837.db2.gz SKDSKDHPFQSYDG-UHFFFAOYSA-N -1 3 385.316 3.330 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N1CCc3c(Cl)cc(Cl)cc3C1)c2[O-] ZINC000119375773 564268013 /nfs/dbraw/zinc/26/80/13/564268013.db2.gz JQIBOUQHAVTXNO-UHFFFAOYSA-N -1 3 377.231 3.179 20 0 GGADHM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000012507994 564268128 /nfs/dbraw/zinc/26/81/28/564268128.db2.gz YQXIMAOLMGDZLM-UHFFFAOYSA-N -1 3 377.487 3.209 20 0 GGADHM CC(C)(COc1ccc(C(F)(F)F)cn1)[N-]S(=O)(=O)c1cccs1 ZINC000119427731 564270120 /nfs/dbraw/zinc/27/01/20/564270120.db2.gz AZCUURCSWTTZEB-UHFFFAOYSA-N -1 3 380.413 3.298 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000012765363 564270881 /nfs/dbraw/zinc/27/08/81/564270881.db2.gz GABAGFPPOUFDGC-UHFFFAOYSA-N -1 3 382.835 3.264 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000119446407 564271286 /nfs/dbraw/zinc/27/12/86/564271286.db2.gz QQQMERFBOZJIGQ-JTQLQIEISA-N -1 3 382.835 3.121 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C3CCN(C4CC4)CC3)s2)cs1 ZINC000119480812 564273029 /nfs/dbraw/zinc/27/30/29/564273029.db2.gz HKPUWNSGIKXHKO-UHFFFAOYSA-N -1 3 383.564 3.085 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)CC)c(Br)c1 ZINC000013009433 564273779 /nfs/dbraw/zinc/27/37/79/564273779.db2.gz GTRVSGIYCKYWPU-UHFFFAOYSA-N -1 3 378.288 3.093 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCOCC(F)(F)F)s2)cs1 ZINC000119512974 564275119 /nfs/dbraw/zinc/27/51/19/564275119.db2.gz HUPIGVWRVGDMHC-UHFFFAOYSA-N -1 3 386.442 3.037 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000119545831 564276326 /nfs/dbraw/zinc/27/63/26/564276326.db2.gz HXOOYCSYPNQKFQ-HNNXBMFYSA-N -1 3 388.536 3.190 20 0 GGADHM Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000119583926 564278397 /nfs/dbraw/zinc/27/83/97/564278397.db2.gz DFNPNENXIVHSEA-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C(N)=O)c2ccccc2)c1Cl ZINC000014098124 564279264 /nfs/dbraw/zinc/27/92/64/564279264.db2.gz VJPNCCKACBGGMB-AWEZNQCLSA-N -1 3 387.288 3.115 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C(N)=O)c2ccccc2)c1Cl ZINC000014098123 564279626 /nfs/dbraw/zinc/27/96/26/564279626.db2.gz VJPNCCKACBGGMB-CQSZACIVSA-N -1 3 387.288 3.115 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2C)c(C)o1 ZINC000119652007 564281149 /nfs/dbraw/zinc/28/11/49/564281149.db2.gz OECDLEMXUVGXOJ-UHFFFAOYSA-N -1 3 376.356 3.076 20 0 GGADHM CCc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000119645378 564281172 /nfs/dbraw/zinc/28/11/72/564281172.db2.gz AJXSATLYESIHMA-UHFFFAOYSA-N -1 3 395.228 3.111 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Br ZINC000119657052 564281938 /nfs/dbraw/zinc/28/19/38/564281938.db2.gz LUQGFEBVRQFVTR-CMPLNLGQSA-N -1 3 388.308 3.354 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1nc(C)cs1 ZINC000119666287 564282013 /nfs/dbraw/zinc/28/20/13/564282013.db2.gz DDKBOZSUKYUIIG-ZDUSSCGKSA-N -1 3 379.507 3.111 20 0 GGADHM Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c([O-])c1 ZINC000014779704 564283747 /nfs/dbraw/zinc/28/37/47/564283747.db2.gz ICNOVZPEFWNFQW-UHFFFAOYSA-N -1 3 380.491 3.189 20 0 GGADHM O=C(CCc1ccsc1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000015100367 564284211 /nfs/dbraw/zinc/28/42/11/564284211.db2.gz FFUUACHWYVIJAJ-UHFFFAOYSA-N -1 3 392.424 3.160 20 0 GGADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccs2)N2CCCCC2)cc1 ZINC000016084723 564290924 /nfs/dbraw/zinc/29/09/24/564290924.db2.gz DOYJQWXQGUJFBG-KRWDZBQOSA-N -1 3 380.535 3.262 20 0 GGADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000016100018 564291994 /nfs/dbraw/zinc/29/19/94/564291994.db2.gz ROZYADKZMZHZDG-UHFFFAOYSA-N -1 3 399.266 3.217 20 0 GGADHM Cc1cc(C)c([N-]c2nnc(S[C@@H](C)C(=O)NC(N)=O)s2)c(Cl)c1 ZINC000016328451 564292961 /nfs/dbraw/zinc/29/29/61/564292961.db2.gz PROBGOUUZBXGLD-QMMMGPOBSA-N -1 3 385.902 3.227 20 0 GGADHM CNC(=O)NC(=O)[C@@H](C)Sc1nnc([N-]c2c(C)cc(C)cc2Cl)s1 ZINC000016328442 564293240 /nfs/dbraw/zinc/29/32/40/564293240.db2.gz LUDVNFKDGFXTDH-SECBINFHSA-N -1 3 399.929 3.488 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc(OC(C)C)c2)n[n-]1 ZINC000541904416 564294655 /nfs/dbraw/zinc/29/46/55/564294655.db2.gz RXXLTIVYFJXSPH-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc(OC(C)C)c2)[n-]n1 ZINC000541904416 564294659 /nfs/dbraw/zinc/29/46/59/564294659.db2.gz RXXLTIVYFJXSPH-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1c(F)cccc1F ZINC000119968982 564298094 /nfs/dbraw/zinc/29/80/94/564298094.db2.gz YMTYGKYQZQILDV-CYBMUJFWSA-N -1 3 386.489 3.217 20 0 GGADHM O=S(=O)([N-]CCNc1ncc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000017332379 564298120 /nfs/dbraw/zinc/29/81/20/564298120.db2.gz ZEFWHVKKFQOCPY-UHFFFAOYSA-N -1 3 385.820 3.206 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1F ZINC000017522124 564298140 /nfs/dbraw/zinc/29/81/40/564298140.db2.gz LUIXYUTWOSVCQX-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nccn1C ZINC000017522432 564299390 /nfs/dbraw/zinc/29/93/90/564299390.db2.gz NLRDIQRWYZQCTN-HNNXBMFYSA-N -1 3 397.909 3.212 20 0 GGADHM COc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2nccn2C)c1 ZINC000017522270 564299487 /nfs/dbraw/zinc/29/94/87/564299487.db2.gz PCGLPSDUXZWTTN-OAHLLOKOSA-N -1 3 397.909 3.212 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000017958517 564300462 /nfs/dbraw/zinc/30/04/62/564300462.db2.gz PDHMQXMCQZFZKT-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM CSC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000120065050 564302669 /nfs/dbraw/zinc/30/26/69/564302669.db2.gz OZLFRWMSPOYKCU-GFCCVEGCSA-N -1 3 382.482 3.108 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)Cc3sccc3C)nc(=O)c2c1C ZINC000020803558 564307988 /nfs/dbraw/zinc/30/79/88/564307988.db2.gz KGXQERLGOZDOBZ-UHFFFAOYSA-N -1 3 377.491 3.082 20 0 GGADHM CC(C)CN1CCC[C@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000120229422 564311042 /nfs/dbraw/zinc/31/10/42/564311042.db2.gz WFGCYOZZQVFVSC-GFCCVEGCSA-N -1 3 395.388 3.157 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnn(-c2ccccc2Br)c1 ZINC000120249908 564311581 /nfs/dbraw/zinc/31/15/81/564311581.db2.gz AURIAUJOCDERQK-AWEZNQCLSA-N -1 3 381.230 3.215 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnn(-c2ccccc2Br)c1 ZINC000120249908 564311585 /nfs/dbraw/zinc/31/15/85/564311585.db2.gz AURIAUJOCDERQK-AWEZNQCLSA-N -1 3 381.230 3.215 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1Br ZINC000120336454 564315776 /nfs/dbraw/zinc/31/57/76/564315776.db2.gz YSBLTAPXAGQYTI-UHFFFAOYSA-N -1 3 397.294 3.260 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1sc(-c2cccs2)nc1C ZINC000120357376 564316863 /nfs/dbraw/zinc/31/68/63/564316863.db2.gz KKOSMCXUVVFTOP-UHFFFAOYSA-N -1 3 380.476 3.461 20 0 GGADHM COc1ccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)nn1 ZINC000120391722 564317705 /nfs/dbraw/zinc/31/77/05/564317705.db2.gz GMGNHOCYLSRHEK-UHFFFAOYSA-N -1 3 392.238 3.019 20 0 GGADHM O=c1[n-]c(SC[C@H]2CCCCO2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000022613935 564318485 /nfs/dbraw/zinc/31/84/85/564318485.db2.gz ZOCGMLGXXWRMBS-CYBMUJFWSA-N -1 3 376.869 3.423 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCN(C4CCCC4)C3)s2)cs1 ZINC000120416962 564318671 /nfs/dbraw/zinc/31/86/71/564318671.db2.gz VGTXGUOLFNRCSD-CYBMUJFWSA-N -1 3 397.591 3.475 20 0 GGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(Cl)cc1Cl ZINC000022866535 564320399 /nfs/dbraw/zinc/32/03/99/564320399.db2.gz YPTQCLVCBXRPHH-UHFFFAOYSA-N -1 3 378.215 3.438 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1OC ZINC000023148822 564322367 /nfs/dbraw/zinc/32/23/67/564322367.db2.gz KEPKSUPLKPDWGI-GXSJLCMTSA-N -1 3 385.379 3.242 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F ZINC000120505362 564323073 /nfs/dbraw/zinc/32/30/73/564323073.db2.gz XHZYFTSAJODUFR-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F ZINC000120525077 564324190 /nfs/dbraw/zinc/32/41/90/564324190.db2.gz QBASBFFQBBUEOZ-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccc(C(F)(F)F)cc1 ZINC000023395208 564324322 /nfs/dbraw/zinc/32/43/22/564324322.db2.gz METSEMSMRULONZ-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000023498732 564325451 /nfs/dbraw/zinc/32/54/51/564325451.db2.gz SEVYVHXXUUCOQH-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccccn1 ZINC000023864079 564327155 /nfs/dbraw/zinc/32/71/55/564327155.db2.gz BSXVTQLDMGRPPK-LLVKDONJSA-N -1 3 385.283 3.282 20 0 GGADHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000024452484 564330435 /nfs/dbraw/zinc/33/04/35/564330435.db2.gz WGZBTGYLJDQSEO-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000024484503 564331415 /nfs/dbraw/zinc/33/14/15/564331415.db2.gz GMMRQGKGTCCBQP-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000024484410 564331603 /nfs/dbraw/zinc/33/16/03/564331603.db2.gz RDVRPSQFTOUUGL-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1cccc(Br)c1 ZINC000024577711 564331972 /nfs/dbraw/zinc/33/19/72/564331972.db2.gz KGAJCGDOILTVMF-UHFFFAOYSA-N -1 3 378.251 3.436 20 0 GGADHM COc1cc(C(=O)N2CCc3cc(Br)ccc32)cc(OC)c1[O-] ZINC000120725249 564334504 /nfs/dbraw/zinc/33/45/04/564334504.db2.gz WEPRQEYWLMPWNV-UHFFFAOYSA-N -1 3 378.222 3.375 20 0 GGADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024895782 564334938 /nfs/dbraw/zinc/33/49/38/564334938.db2.gz NQDDHKIYVRPALB-UHFFFAOYSA-N -1 3 377.447 3.335 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)c(Cl)cc1F ZINC000120802092 564337943 /nfs/dbraw/zinc/33/79/43/564337943.db2.gz KCOBTGFQISIEDJ-QWHCGFSZSA-N -1 3 390.908 3.149 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1O ZINC000120940806 564343963 /nfs/dbraw/zinc/34/39/63/564343963.db2.gz UVYQGOYXWJBIKQ-UHFFFAOYSA-N -1 3 389.260 3.006 20 0 GGADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000026233852 564344397 /nfs/dbraw/zinc/34/43/97/564344397.db2.gz FRVKJELDYYZSBK-AWEZNQCLSA-N -1 3 395.352 3.019 20 0 GGADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000026233837 564344529 /nfs/dbraw/zinc/34/45/29/564344529.db2.gz FNCSLXPOKLHZQF-ZDUSSCGKSA-N -1 3 395.352 3.019 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c[nH]1)N1CCCC1 ZINC000026527935 564348123 /nfs/dbraw/zinc/34/81/23/564348123.db2.gz MBICROBOLPAEPN-UHFFFAOYSA-N -1 3 388.276 3.358 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1sccc1OC)c1cccc(C(F)(F)F)c1 ZINC000121005733 564348177 /nfs/dbraw/zinc/34/81/77/564348177.db2.gz QHPMHVDVQCGVFW-GFCCVEGCSA-N -1 3 395.424 3.442 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)c(F)c1 ZINC000026770526 564350030 /nfs/dbraw/zinc/35/00/30/564350030.db2.gz JCHSXMATIHWVLW-UHFFFAOYSA-N -1 3 382.482 3.245 20 0 GGADHM C[C@@H]1CCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000026978719 564351914 /nfs/dbraw/zinc/35/19/14/564351914.db2.gz IWBSTZVRRDQFIJ-BXUZGUMPSA-N -1 3 393.336 3.357 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000121087069 564352322 /nfs/dbraw/zinc/35/23/22/564352322.db2.gz JUSSRSFAHRWDGE-QMTHXVAHSA-N -1 3 375.899 3.465 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000121086931 564352419 /nfs/dbraw/zinc/35/24/19/564352419.db2.gz JUSSRSFAHRWDGE-IINYFYTJSA-N -1 3 375.899 3.465 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000027597977 564354569 /nfs/dbraw/zinc/35/45/69/564354569.db2.gz JXPQOBJDNCEDGU-UHFFFAOYSA-N -1 3 378.759 3.259 20 0 GGADHM CN(Cc1ccccc1Br)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000027747684 564355632 /nfs/dbraw/zinc/35/56/32/564355632.db2.gz MMXOHOVTDDLCFA-UHFFFAOYSA-N -1 3 397.294 3.093 20 0 GGADHM Cc1cccnc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000027650253 564355663 /nfs/dbraw/zinc/35/56/63/564355663.db2.gz CJYDZWDQHYEZNC-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM Cc1ccnc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000027646244 564356135 /nfs/dbraw/zinc/35/61/35/564356135.db2.gz SVYYTFYJTMURED-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2F)cc1OC ZINC000027952093 564357703 /nfs/dbraw/zinc/35/77/03/564357703.db2.gz UJRHTHBZLZHNDU-SECBINFHSA-N -1 3 375.368 3.161 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000027969837 564357944 /nfs/dbraw/zinc/35/79/44/564357944.db2.gz XLJKPPPDPRRGCO-ZJUUUORDSA-N -1 3 385.379 3.242 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000027952090 564358002 /nfs/dbraw/zinc/35/80/02/564358002.db2.gz UJRHTHBZLZHNDU-VIFPVBQESA-N -1 3 375.368 3.161 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)cc(Cl)c1 ZINC000028040980 564358669 /nfs/dbraw/zinc/35/86/69/564358669.db2.gz PHVAMGQPMOEMSD-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM COc1ncccc1C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000028041624 564358817 /nfs/dbraw/zinc/35/88/17/564358817.db2.gz IAKLNWWCWMDXKJ-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000121233904 564359978 /nfs/dbraw/zinc/35/99/78/564359978.db2.gz DMVZUSHDGXFVOS-GXTWGEPZSA-N -1 3 383.828 3.100 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CCc2ccccc2C1 ZINC000028322294 564361424 /nfs/dbraw/zinc/36/14/24/564361424.db2.gz JHNAFDIMDOLBKO-ZDUSSCGKSA-N -1 3 382.888 3.204 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCc2ccccc2C1 ZINC000028322762 564361930 /nfs/dbraw/zinc/36/19/30/564361930.db2.gz XJCKYOZRVGEFGT-CYBMUJFWSA-N -1 3 382.888 3.204 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000121301284 564364094 /nfs/dbraw/zinc/36/40/94/564364094.db2.gz OJYQJJUDUUPNBA-SWLSCSKDSA-N -1 3 398.937 3.432 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2ccc(Br)s2)CCCCCC1 ZINC000029455530 564370929 /nfs/dbraw/zinc/37/09/29/564370929.db2.gz LDQIXURXFNQPOM-UHFFFAOYSA-N -1 3 396.328 3.055 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)sc1Br ZINC000121465484 564371031 /nfs/dbraw/zinc/37/10/31/564371031.db2.gz SBJREHLXTOLEIX-GFCCVEGCSA-N -1 3 390.324 3.221 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1 ZINC000029645168 564371700 /nfs/dbraw/zinc/37/17/00/564371700.db2.gz BOPOSGBMWGBTFP-UHFFFAOYSA-N -1 3 379.290 3.362 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000029786247 564373797 /nfs/dbraw/zinc/37/37/97/564373797.db2.gz MCRKTWFRXNXOAG-UHFFFAOYSA-N -1 3 398.271 3.329 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CCCc3ccccc3)cc2N1 ZINC000030289441 564377598 /nfs/dbraw/zinc/37/75/98/564377598.db2.gz PQUJVEYMJHCEGA-UHFFFAOYSA-N -1 3 378.881 3.136 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CCSc3ccccc3)cc2N1 ZINC000030324611 564378975 /nfs/dbraw/zinc/37/89/75/564378975.db2.gz DKNLLRGZRAVXIZ-UHFFFAOYSA-N -1 3 396.921 3.295 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000030362022 564379500 /nfs/dbraw/zinc/37/95/00/564379500.db2.gz GEVXSPHGVRILQT-MRXNPFEDSA-N -1 3 382.888 3.422 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)C)s1 ZINC000030378071 564379664 /nfs/dbraw/zinc/37/96/64/564379664.db2.gz ZGLDPCIYLRIQJG-QGZVFWFLSA-N -1 3 380.535 3.102 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC(C)(C)C)c(Br)c1 ZINC000030371972 564379828 /nfs/dbraw/zinc/37/98/28/564379828.db2.gz FBVYIKFJTLLIJS-UHFFFAOYSA-N -1 3 392.315 3.340 20 0 GGADHM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000030361559 564380056 /nfs/dbraw/zinc/38/00/56/564380056.db2.gz XXFBQJAUFAAKQD-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)s2)cs1 ZINC000121660652 564380540 /nfs/dbraw/zinc/38/05/40/564380540.db2.gz BQZGIQBXGPENMJ-SECBINFHSA-N -1 3 388.536 3.189 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C(C)C)C2CCC2)cc1 ZINC000121665010 564380761 /nfs/dbraw/zinc/38/07/61/564380761.db2.gz BJFKIBJAILTYRW-UHFFFAOYSA-N -1 3 388.555 3.180 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000030443587 564380842 /nfs/dbraw/zinc/38/08/42/564380842.db2.gz YTVSRWROBWLGAU-UHFFFAOYSA-N -1 3 388.283 3.270 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000030518293 564381171 /nfs/dbraw/zinc/38/11/71/564381171.db2.gz SRAUTYDVNPLGGX-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CCc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000121711443 564382832 /nfs/dbraw/zinc/38/28/32/564382832.db2.gz VPHRJDOWLHVDBU-UHFFFAOYSA-N -1 3 384.860 3.478 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000030674607 564383500 /nfs/dbraw/zinc/38/35/00/564383500.db2.gz WITKEROREZRHDH-GMSGAONNSA-N -1 3 386.704 3.337 20 0 GGADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(Br)cc1)c1c[nH]cn1 ZINC000121788978 564386818 /nfs/dbraw/zinc/38/68/18/564386818.db2.gz UMKNEXHJVAQFIC-MRXNPFEDSA-N -1 3 392.278 3.240 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cn2cc(Br)ccc2n1 ZINC000121853222 564389277 /nfs/dbraw/zinc/38/92/77/564389277.db2.gz MOBKCSWRJYMZKB-UHFFFAOYSA-N -1 3 394.656 3.315 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCOc2ccccc2Cl)ccc1F ZINC000031637817 564389697 /nfs/dbraw/zinc/38/96/97/564389697.db2.gz HXMQBEXHLFUNMG-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM CC[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000031683689 564390511 /nfs/dbraw/zinc/39/05/11/564390511.db2.gz VGGWCUUWKMTPKW-GFCCVEGCSA-N -1 3 393.336 3.310 20 0 GGADHM Cc1cc(C)c([N-]c2nnc(SCCN3C(=O)CNC3=O)s2)c(Cl)c1 ZINC000031768308 564392688 /nfs/dbraw/zinc/39/26/88/564392688.db2.gz XVKBIPJXOXGGOY-UHFFFAOYSA-N -1 3 397.913 3.196 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n1 ZINC000031762600 564392946 /nfs/dbraw/zinc/39/29/46/564392946.db2.gz IHKGWNCYJPKMGI-UHFFFAOYSA-N -1 3 377.809 3.419 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000031940903 564394648 /nfs/dbraw/zinc/39/46/48/564394648.db2.gz WQEYYHKLHVIRQP-INIZCTEOSA-N -1 3 378.519 3.089 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(Br)c2)ccc1F ZINC000032001771 564394854 /nfs/dbraw/zinc/39/48/54/564394854.db2.gz ANEZZICMCDDVHN-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM CC(C)C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000121976501 564395365 /nfs/dbraw/zinc/39/53/65/564395365.db2.gz KASDGLQMYJOPSW-GFCCVEGCSA-N -1 3 386.564 3.453 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000032408699 564398626 /nfs/dbraw/zinc/39/86/26/564398626.db2.gz IINCBHJWCYMAQB-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000032410392 564398757 /nfs/dbraw/zinc/39/87/57/564398757.db2.gz HFVJMMJWFVELOA-UHFFFAOYSA-N -1 3 385.844 3.080 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000032443418 564400396 /nfs/dbraw/zinc/40/03/96/564400396.db2.gz KZSBCCAOEHVEPC-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCC[C@@H]1C ZINC000032441073 564400927 /nfs/dbraw/zinc/40/09/27/564400927.db2.gz LQTRLTUKLHBFAA-QWRGUYRKSA-N -1 3 381.361 3.052 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cc1F ZINC000032590849 564402122 /nfs/dbraw/zinc/40/21/22/564402122.db2.gz AHYCCZNNIFGOPD-UHFFFAOYSA-N -1 3 387.816 3.450 20 0 GGADHM O=S(=O)([N-]CCNCc1ccccc1OC1CCCC1)c1cccs1 ZINC000122157104 564402359 /nfs/dbraw/zinc/40/23/59/564402359.db2.gz KNSHYCJSWOVYQJ-UHFFFAOYSA-N -1 3 380.535 3.138 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000122194103 564403929 /nfs/dbraw/zinc/40/39/29/564403929.db2.gz NXQQMLRERKTEFZ-SNVBAGLBSA-N -1 3 390.889 3.106 20 0 GGADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000032719862 564404774 /nfs/dbraw/zinc/40/47/74/564404774.db2.gz HBLSUDGUHKAMOU-UHFFFAOYSA-N -1 3 380.853 3.082 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000122232689 564405424 /nfs/dbraw/zinc/40/54/24/564405424.db2.gz HJMTYYKBAZGUEA-UHFFFAOYSA-N -1 3 398.859 3.488 20 0 GGADHM O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000032746594 564405646 /nfs/dbraw/zinc/40/56/46/564405646.db2.gz AROGKZXGLSKQDQ-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM O=S(=O)([N-]CCNCc1csc(-c2ccsc2)n1)c1cccs1 ZINC000122238921 564406217 /nfs/dbraw/zinc/40/62/17/564406217.db2.gz STEPZCHLPFFGJE-UHFFFAOYSA-N -1 3 385.561 3.001 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)Nc1nnc(C(F)(F)F)[n-]1 ZINC000122369625 564410546 /nfs/dbraw/zinc/41/05/46/564410546.db2.gz KYOGIFVNXNMTFY-UHFFFAOYSA-N -1 3 383.555 3.421 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)Nc1nc(C(F)(F)F)n[n-]1 ZINC000122369625 564410548 /nfs/dbraw/zinc/41/05/48/564410548.db2.gz KYOGIFVNXNMTFY-UHFFFAOYSA-N -1 3 383.555 3.421 20 0 GGADHM C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(Cl)s1 ZINC000033192413 564411831 /nfs/dbraw/zinc/41/18/31/564411831.db2.gz QSHADFHRKWOTPG-SNVBAGLBSA-N -1 3 377.853 3.085 20 0 GGADHM C[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(Cl)s1 ZINC000033192414 564412119 /nfs/dbraw/zinc/41/21/19/564412119.db2.gz QSHADFHRKWOTPG-JTQLQIEISA-N -1 3 377.853 3.085 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000033571919 564413274 /nfs/dbraw/zinc/41/32/74/564413274.db2.gz BRYKVNDHUQGXST-UHFFFAOYSA-N -1 3 377.796 3.429 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000122460603 564414653 /nfs/dbraw/zinc/41/46/53/564414653.db2.gz TZEYEDLQTZAFLT-ZETCQYMHSA-N -1 3 379.301 3.463 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)OC ZINC000035248767 564414961 /nfs/dbraw/zinc/41/49/61/564414961.db2.gz QNYLXHUQMNCHIT-ZDUSSCGKSA-N -1 3 398.706 3.113 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)OC ZINC000035248769 564415006 /nfs/dbraw/zinc/41/50/06/564415006.db2.gz QNYLXHUQMNCHIT-CYBMUJFWSA-N -1 3 398.706 3.113 20 0 GGADHM CCCNc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000122506803 564416517 /nfs/dbraw/zinc/41/65/17/564416517.db2.gz FOEKOTMGJPHICB-UHFFFAOYSA-N -1 3 387.914 3.140 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCOc2cccc(Cl)c2)ccc1F ZINC000036390604 564417353 /nfs/dbraw/zinc/41/73/53/564417353.db2.gz JJQYMOMLYANANB-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM [O-]C(=NOCCC(F)(F)F)Nc1cc(Br)cnc1-n1cccn1 ZINC000122538848 564418113 /nfs/dbraw/zinc/41/81/13/564418113.db2.gz NILKFMGJEDNMHY-UHFFFAOYSA-N -1 3 394.151 3.035 20 0 GGADHM O=C([N-]OCCC(F)(F)F)Nc1cc(Br)cnc1-n1cccn1 ZINC000122538848 564418117 /nfs/dbraw/zinc/41/81/17/564418117.db2.gz NILKFMGJEDNMHY-UHFFFAOYSA-N -1 3 394.151 3.035 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)s1 ZINC000122540805 564418245 /nfs/dbraw/zinc/41/82/45/564418245.db2.gz ZWVGPOPYHZKUFX-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000036723222 564418772 /nfs/dbraw/zinc/41/87/72/564418772.db2.gz NUYJSIQVLSKVIY-UHFFFAOYSA-N -1 3 388.272 3.286 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000037388898 564420658 /nfs/dbraw/zinc/42/06/58/564420658.db2.gz XKOLKJHRCQYIQG-SSDOTTSWSA-N -1 3 383.105 3.288 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1nc(-c2cccs2)cs1 ZINC000122665594 564423306 /nfs/dbraw/zinc/42/33/06/564423306.db2.gz IDKIWCNDEVRKHD-UHFFFAOYSA-N -1 3 399.544 3.240 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cccs1)N1CCCCC1 ZINC000040615316 564428042 /nfs/dbraw/zinc/42/80/42/564428042.db2.gz KDZYBJMKJMTTBG-INIZCTEOSA-N -1 3 380.535 3.262 20 0 GGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000040446071 564428229 /nfs/dbraw/zinc/42/82/29/564428229.db2.gz MXGZGMIBSFWSFN-JTQLQIEISA-N -1 3 376.247 3.481 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc2c1OCOC2)c1ccc(Cl)cc1F ZINC000041629790 564435333 /nfs/dbraw/zinc/43/53/33/564435333.db2.gz VFKBUELRWWSMTJ-UHFFFAOYSA-N -1 3 389.807 3.006 20 0 GGADHM O=c1[n-]c(SCc2cc(Br)cc3cccnc32)nc2[nH]ncc21 ZINC000123141671 564439586 /nfs/dbraw/zinc/43/95/86/564439586.db2.gz IZMUGOCEHMLIPT-UHFFFAOYSA-N -1 3 388.250 3.249 20 0 GGADHM CC(C)N(CC(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000123175054 564441054 /nfs/dbraw/zinc/44/10/54/564441054.db2.gz VWQNPMSVAHSNME-UHFFFAOYSA-N -1 3 380.432 3.018 20 0 GGADHM CCOCCCNC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000042149128 564442447 /nfs/dbraw/zinc/44/24/47/564442447.db2.gz QPZAJZSIODIIHK-LLVKDONJSA-N -1 3 384.502 3.444 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1c(Cl)ccc2cccnc21 ZINC000042153994 564442564 /nfs/dbraw/zinc/44/25/64/564442564.db2.gz PUZHOVWBCXEGDV-UHFFFAOYSA-N -1 3 375.837 3.359 20 0 GGADHM CCOCCCNC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000042149129 564442875 /nfs/dbraw/zinc/44/28/75/564442875.db2.gz QPZAJZSIODIIHK-NSHDSACASA-N -1 3 384.502 3.444 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(Cl)c2cccnc12 ZINC000042787722 564449866 /nfs/dbraw/zinc/44/98/66/564449866.db2.gz ILZOIQZZWJTTCH-UHFFFAOYSA-N -1 3 375.837 3.359 20 0 GGADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(SCC(=O)OCC)s2)s1 ZINC000042819169 564450465 /nfs/dbraw/zinc/45/04/65/564450465.db2.gz WCVFQTJPZMWYLB-UHFFFAOYSA-N -1 3 386.524 3.163 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(O)CCCCCC2)sc1Br ZINC000123622137 564455123 /nfs/dbraw/zinc/45/51/23/564455123.db2.gz XWKZJVIDUHNGJD-UHFFFAOYSA-N -1 3 382.345 3.183 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000123724858 564459730 /nfs/dbraw/zinc/45/97/30/564459730.db2.gz VFJSJJVFLAFVFA-CHWSQXEVSA-N -1 3 398.575 3.406 20 0 GGADHM O=C(Nc1cccnc1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000123738209 564460623 /nfs/dbraw/zinc/46/06/23/564460623.db2.gz TWRXXAQDKZJJDN-UHFFFAOYSA-N -1 3 379.507 3.397 20 0 GGADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1F ZINC000123768203 564461697 /nfs/dbraw/zinc/46/16/97/564461697.db2.gz YLZFTCOUHALEHM-UHFFFAOYSA-N -1 3 386.470 3.005 20 0 GGADHM CC1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000123850348 564463105 /nfs/dbraw/zinc/46/31/05/564463105.db2.gz VUEFDZFWZNAZPE-UHFFFAOYSA-N -1 3 384.548 3.160 20 0 GGADHM CC(C)CCOCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000045113649 564478122 /nfs/dbraw/zinc/47/81/22/564478122.db2.gz DWZICXZXHSKYEI-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1Cl ZINC000044253542 564465039 /nfs/dbraw/zinc/46/50/39/564465039.db2.gz TYGCJGPUHAOVET-UHFFFAOYSA-N -1 3 382.888 3.422 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](Cc1ccc(F)cc1)C(C)C ZINC000123897503 564465269 /nfs/dbraw/zinc/46/52/69/564465269.db2.gz WEEXUXMCAOSSOY-CQSZACIVSA-N -1 3 385.482 3.219 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000044323631 564466663 /nfs/dbraw/zinc/46/66/63/564466663.db2.gz UMASKNSGKZWBCJ-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)CC[C@@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000123970069 564467391 /nfs/dbraw/zinc/46/73/91/564467391.db2.gz AERZPTGDKYMFPQ-HNNXBMFYSA-N -1 3 384.885 3.292 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000124093903 564471280 /nfs/dbraw/zinc/47/12/80/564471280.db2.gz DNDYOJAOYOQWKE-GHMZBOCLSA-N -1 3 382.379 3.048 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000044894885 564475457 /nfs/dbraw/zinc/47/54/57/564475457.db2.gz FQPKIANCKLIAGD-UHFFFAOYSA-N -1 3 379.434 3.183 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c([O-])c1 ZINC000044982679 564476134 /nfs/dbraw/zinc/47/61/34/564476134.db2.gz ZTLMTXOFNTXEOC-GFCCVEGCSA-N -1 3 389.249 3.455 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c([O-])c1 ZINC000044982677 564476253 /nfs/dbraw/zinc/47/62/53/564476253.db2.gz ZTLMTXOFNTXEOC-LBPRGKRZSA-N -1 3 389.249 3.455 20 0 GGADHM Cc1ccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1C ZINC000124283396 564477491 /nfs/dbraw/zinc/47/74/91/564477491.db2.gz ZNYOQUCVZBUQMJ-HNNXBMFYSA-N -1 3 379.865 3.263 20 0 GGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)nnn1-c1cccc(Br)c1 ZINC000124330354 564478690 /nfs/dbraw/zinc/47/86/90/564478690.db2.gz GUKKCZMPQLDBSH-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000045221676 564479639 /nfs/dbraw/zinc/47/96/39/564479639.db2.gz HVMOPDMBQXSFMZ-AWEZNQCLSA-N -1 3 386.926 3.337 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000045341992 564482205 /nfs/dbraw/zinc/48/22/05/564482205.db2.gz WUJBXEWSPLVKBV-UHFFFAOYSA-N -1 3 378.837 3.126 20 0 GGADHM Cc1cc(C(=O)CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)s1 ZINC000045341769 564482276 /nfs/dbraw/zinc/48/22/76/564482276.db2.gz NQBZDPDGQYIPHS-UHFFFAOYSA-N -1 3 380.491 3.338 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)sc1C ZINC000124613304 564487313 /nfs/dbraw/zinc/48/73/13/564487313.db2.gz FIDCGVQPWRCQFH-UHFFFAOYSA-N -1 3 392.424 3.458 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1Br ZINC000124672592 564489616 /nfs/dbraw/zinc/48/96/16/564489616.db2.gz PSKKFQYAXWMYRF-SNVBAGLBSA-N -1 3 390.324 3.429 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000045866127 564490497 /nfs/dbraw/zinc/49/04/97/564490497.db2.gz XINUCLNOWDXTIR-UHFFFAOYSA-N -1 3 380.274 3.198 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000046409204 564502978 /nfs/dbraw/zinc/50/29/78/564502978.db2.gz MYIRLNSAWHGRIF-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM O=c1nc(CS(=O)(=O)c2ccc(Cl)cc2)[n-]c2sc3c(c21)CCC3 ZINC000046702859 564506461 /nfs/dbraw/zinc/50/64/61/564506461.db2.gz CAKJARRYYKKOIL-UHFFFAOYSA-N -1 3 380.878 3.101 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000046850956 564509232 /nfs/dbraw/zinc/50/92/32/564509232.db2.gz HEKBOINJRLIQDH-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000125354072 564511960 /nfs/dbraw/zinc/51/19/60/564511960.db2.gz JGRQSXFGOSPBHF-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000125376188 564513120 /nfs/dbraw/zinc/51/31/20/564513120.db2.gz GNBXFJSZULZXMO-ZDUSSCGKSA-N -1 3 380.535 3.029 20 0 GGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343231 564519156 /nfs/dbraw/zinc/51/91/56/564519156.db2.gz GIWUNPYWMDNVSV-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343231 564519161 /nfs/dbraw/zinc/51/91/61/564519161.db2.gz GIWUNPYWMDNVSV-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343231 564519164 /nfs/dbraw/zinc/51/91/64/564519164.db2.gz GIWUNPYWMDNVSV-SNVBAGLBSA-N -1 3 388.225 3.035 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Cn1cccn1 ZINC000047413642 564519624 /nfs/dbraw/zinc/51/96/24/564519624.db2.gz KXNJYYULYBLLCF-JTQLQIEISA-N -1 3 381.807 3.170 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000125675715 564522827 /nfs/dbraw/zinc/52/28/27/564522827.db2.gz IUFLZKLKPGWZRU-LBPRGKRZSA-N -1 3 385.942 3.300 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCSc2ccc(C)c(C)c2)s1 ZINC000125744862 564524339 /nfs/dbraw/zinc/52/43/39/564524339.db2.gz FZPRGSFHGHPJCR-UHFFFAOYSA-N -1 3 398.575 3.072 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(C(=O)NC2CC2)cc1 ZINC000125739332 564524795 /nfs/dbraw/zinc/52/47/95/564524795.db2.gz YXNWXJQBXRJMPC-UHFFFAOYSA-N -1 3 375.222 3.299 20 0 GGADHM COc1ccccc1-c1nc(NC(=O)Cc2ccc(Br)cc2)n[n-]1 ZINC000048012017 564530557 /nfs/dbraw/zinc/53/05/57/564530557.db2.gz NWNSTJJFKOVUEE-UHFFFAOYSA-N -1 3 387.237 3.424 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000125959773 564532061 /nfs/dbraw/zinc/53/20/61/564532061.db2.gz IXMBZLGLUDLXAH-UHFFFAOYSA-N -1 3 388.674 3.468 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000125974752 564533139 /nfs/dbraw/zinc/53/31/39/564533139.db2.gz RTLHKGPHVAYFCD-UHFFFAOYSA-N -1 3 384.251 3.119 20 0 GGADHM O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Br)cc1[O-] ZINC000126021914 564533848 /nfs/dbraw/zinc/53/38/48/564533848.db2.gz WGOKIKACKWUJCC-UHFFFAOYSA-N -1 3 378.182 3.369 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)s1 ZINC000126010683 564533897 /nfs/dbraw/zinc/53/38/97/564533897.db2.gz YAANQRFCEGXTSF-INIZCTEOSA-N -1 3 378.519 3.085 20 0 GGADHM CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000048260389 564534741 /nfs/dbraw/zinc/53/47/41/564534741.db2.gz TVBDGSICAXOOIM-UHFFFAOYSA-N -1 3 386.823 3.051 20 0 GGADHM Cc1cccc(NC(=O)NCC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000126036231 564535000 /nfs/dbraw/zinc/53/50/00/564535000.db2.gz JSASAYABDNFZGK-UHFFFAOYSA-N -1 3 378.226 3.223 20 0 GGADHM O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(Br)cc1[O-] ZINC000126038471 564535139 /nfs/dbraw/zinc/53/51/39/564535139.db2.gz GOLVYIGSIAWPQA-UHFFFAOYSA-N -1 3 389.209 3.171 20 0 GGADHM CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc21 ZINC000126106310 564537078 /nfs/dbraw/zinc/53/70/78/564537078.db2.gz JOGISCVCMSOXAM-UHFFFAOYSA-N -1 3 380.853 3.010 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000126140613 564537897 /nfs/dbraw/zinc/53/78/97/564537897.db2.gz KHWUENDRNZDLDY-ZDUSSCGKSA-N -1 3 379.258 3.315 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000126140379 564538166 /nfs/dbraw/zinc/53/81/66/564538166.db2.gz KHWUENDRNZDLDY-CYBMUJFWSA-N -1 3 379.258 3.315 20 0 GGADHM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)c([O-])c1 ZINC000048401895 564538451 /nfs/dbraw/zinc/53/84/51/564538451.db2.gz PXCNXPJKLBLMLE-UHFFFAOYSA-N -1 3 383.267 3.235 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@]2(C)CCCS2)cc1Cl ZINC000126150744 564538915 /nfs/dbraw/zinc/53/89/15/564538915.db2.gz KBPFSEWFMLIWAK-AWEZNQCLSA-N -1 3 380.894 3.002 20 0 GGADHM Cc1ccc([C@@H]2COCCN2C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000126145175 564539173 /nfs/dbraw/zinc/53/91/73/564539173.db2.gz XXIIDHYPHVYYEU-AWEZNQCLSA-N -1 3 395.253 3.339 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000126185118 564539854 /nfs/dbraw/zinc/53/98/54/564539854.db2.gz GNXFDMCVXBZRTN-ZETCQYMHSA-N -1 3 377.164 3.403 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000126185118 564539855 /nfs/dbraw/zinc/53/98/55/564539855.db2.gz GNXFDMCVXBZRTN-ZETCQYMHSA-N -1 3 377.164 3.403 20 0 GGADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1sccc1Br ZINC000048445132 564540042 /nfs/dbraw/zinc/54/00/42/564540042.db2.gz SRGHUWWUXPYDPU-UHFFFAOYSA-N -1 3 391.312 3.171 20 0 GGADHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1sccc1Br ZINC000048444171 564540213 /nfs/dbraw/zinc/54/02/13/564540213.db2.gz JCRWXQBYVVTQOW-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126207524 564541216 /nfs/dbraw/zinc/54/12/16/564541216.db2.gz NSSAIMLNSMDMQL-UHFFFAOYSA-N -1 3 396.285 3.021 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CN1C1CC1 ZINC000126250733 564541770 /nfs/dbraw/zinc/54/17/70/564541770.db2.gz ATECTYNDZVLCOZ-MWLCHTKSSA-N -1 3 393.734 3.006 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000126229082 564542086 /nfs/dbraw/zinc/54/20/86/564542086.db2.gz NPDWRBVAPLFFDC-LLVKDONJSA-N -1 3 386.253 3.447 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000126229082 564542087 /nfs/dbraw/zinc/54/20/87/564542087.db2.gz NPDWRBVAPLFFDC-LLVKDONJSA-N -1 3 386.253 3.447 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000126229082 564542089 /nfs/dbraw/zinc/54/20/89/564542089.db2.gz NPDWRBVAPLFFDC-LLVKDONJSA-N -1 3 386.253 3.447 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCCS2)c1 ZINC000126231161 564542184 /nfs/dbraw/zinc/54/21/84/564542184.db2.gz BOLDMJKXSSYWKM-ZDUSSCGKSA-N -1 3 380.329 3.022 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000126292370 564543525 /nfs/dbraw/zinc/54/35/25/564543525.db2.gz XLVJCBIDERBTRM-CVEARBPZSA-N -1 3 386.583 3.310 20 0 GGADHM O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cc(Br)ccc1[O-] ZINC000126481444 564550561 /nfs/dbraw/zinc/55/05/61/564550561.db2.gz ICPPGOZSFAKGPJ-UHFFFAOYSA-N -1 3 391.221 3.057 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1F ZINC000126466937 564550599 /nfs/dbraw/zinc/55/05/99/564550599.db2.gz XXAKOWSQTPWGAP-UHFFFAOYSA-N -1 3 390.795 3.386 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1F)C(C)C ZINC000126471021 564550742 /nfs/dbraw/zinc/55/07/42/564550742.db2.gz AZEMSEXZAGRHIS-AWEZNQCLSA-N -1 3 389.445 3.489 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(-c2ncccn2)s1 ZINC000126519281 564551692 /nfs/dbraw/zinc/55/16/92/564551692.db2.gz IULNCQRSDXLXCQ-UHFFFAOYSA-N -1 3 377.223 3.321 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cnn(-c3ccccc3Br)c2)on1 ZINC000126531568 564552180 /nfs/dbraw/zinc/55/21/80/564552180.db2.gz MSYUXBSWLUJSIL-NSHDSACASA-N -1 3 390.241 3.370 20 0 GGADHM CCS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126528056 564552258 /nfs/dbraw/zinc/55/22/58/564552258.db2.gz GCSKQYHXJIFXTJ-UHFFFAOYSA-N -1 3 384.251 3.201 20 0 GGADHM O=C(CCc1cc(Cl)cs1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000126583903 564554441 /nfs/dbraw/zinc/55/44/41/564554441.db2.gz DWYVSLMPRATHCG-UHFFFAOYSA-N -1 3 378.881 3.024 20 0 GGADHM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000126607944 564554979 /nfs/dbraw/zinc/55/49/79/564554979.db2.gz VVZSMVCFGZEDFG-LBPRGKRZSA-N -1 3 398.301 3.171 20 0 GGADHM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(Br)ccc2[O-])n[nH]1 ZINC000126596089 564555473 /nfs/dbraw/zinc/55/54/73/564555473.db2.gz SCEYTEJOXXKJEH-UHFFFAOYSA-N -1 3 390.241 3.147 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(=O)[nH]c2cc(F)ccc21 ZINC000126595858 564555709 /nfs/dbraw/zinc/55/57/09/564555709.db2.gz RJFGBGGUHMYPSA-UHFFFAOYSA-N -1 3 377.169 3.388 20 0 GGADHM C[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(=O)c1ccccc1 ZINC000126690012 564558199 /nfs/dbraw/zinc/55/81/99/564558199.db2.gz CBIQKOLPEZRULU-NSHDSACASA-N -1 3 377.238 3.302 20 0 GGADHM O=C(OCc1nc(-c2cc(Br)cs2)no1)c1ccc([O-])cc1O ZINC000050494827 564559031 /nfs/dbraw/zinc/55/90/31/564559031.db2.gz GEJVHVQQCLQVSV-UHFFFAOYSA-N -1 3 397.206 3.329 20 0 GGADHM CCc1nc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)s1 ZINC000050589284 564559100 /nfs/dbraw/zinc/55/91/00/564559100.db2.gz YSTYBLQSVQTSTR-UHFFFAOYSA-N -1 3 383.495 3.036 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)cc1 ZINC000050534788 564559132 /nfs/dbraw/zinc/55/91/32/564559132.db2.gz QLYJKYVNAQRVAP-UHFFFAOYSA-N -1 3 378.519 3.358 20 0 GGADHM CCCC(C)(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000050808526 564560599 /nfs/dbraw/zinc/56/05/99/564560599.db2.gz SEKXKASPFNMBCN-LLVKDONJSA-N -1 3 380.432 3.067 20 0 GGADHM CCCC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000050809191 564560797 /nfs/dbraw/zinc/56/07/97/564560797.db2.gz YTZCYXMRTAPAOS-UHFFFAOYSA-N -1 3 381.325 3.357 20 0 GGADHM O=C(Nc1nccn1Cc1ccc(Br)cc1)c1ccc2n[n-]nc2c1 ZINC000126796722 564562613 /nfs/dbraw/zinc/56/26/13/564562613.db2.gz WQGWPBKMECWOSG-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000052832563 564577153 /nfs/dbraw/zinc/57/71/53/564577153.db2.gz AFENOKNSFFBBGZ-UHFFFAOYSA-N -1 3 380.279 3.374 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(Cl)s1 ZINC000127253559 564577792 /nfs/dbraw/zinc/57/77/92/564577792.db2.gz GEKVVCNEGLYJBP-UHFFFAOYSA-N -1 3 382.688 3.348 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCCN(C)C)cc1 ZINC000127395999 564582633 /nfs/dbraw/zinc/58/26/33/564582633.db2.gz SGFNZLHQSADPQQ-UHFFFAOYSA-N -1 3 380.535 3.458 20 0 GGADHM COc1cc(C(=O)[N-]c2ccc(-c3ccc(Br)s3)nn2)on1 ZINC000484591666 564592006 /nfs/dbraw/zinc/59/20/06/564592006.db2.gz FDXZEXBJOTWJPY-UHFFFAOYSA-N -1 3 381.211 3.217 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1F)Nc1ccc(Cl)cc1 ZINC000053671657 564592750 /nfs/dbraw/zinc/59/27/50/564592750.db2.gz SESBGTDTJOERBM-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)cc1 ZINC000053671720 564592789 /nfs/dbraw/zinc/59/27/89/564592789.db2.gz GGTKYKZWXWGADI-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(OC(F)F)cc1)c1ccc(Cl)s1 ZINC000127768745 564595234 /nfs/dbraw/zinc/59/52/34/564595234.db2.gz VXBFIJULXLIINC-UHFFFAOYSA-N -1 3 396.868 3.071 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000053998277 564597198 /nfs/dbraw/zinc/59/71/98/564597198.db2.gz QKZPIIRFFGWDQN-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM O=S(=O)([N-]CCNCc1cnc(C2CCC2)s1)c1ccc(Cl)s1 ZINC000127860240 564599079 /nfs/dbraw/zinc/59/90/79/564599079.db2.gz QXBZKKFAJQEFMM-UHFFFAOYSA-N -1 3 391.971 3.194 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)ccc2Br)s1 ZINC000127882740 564600073 /nfs/dbraw/zinc/60/00/73/564600073.db2.gz ZONIVTDPDJITQB-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(F)c(Br)c1 ZINC000054203904 564601249 /nfs/dbraw/zinc/60/12/49/564601249.db2.gz OETOQHCKYYVPKO-UHFFFAOYSA-N -1 3 387.230 3.059 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(Cl)s1 ZINC000128047478 564605371 /nfs/dbraw/zinc/60/53/71/564605371.db2.gz KSAFMZOCMAVEPQ-SECBINFHSA-N -1 3 378.306 3.007 20 0 GGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000128060578 564605385 /nfs/dbraw/zinc/60/53/85/564605385.db2.gz VCMMARQQLAMTLN-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000128060578 564605391 /nfs/dbraw/zinc/60/53/91/564605391.db2.gz VCMMARQQLAMTLN-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000128060578 564605394 /nfs/dbraw/zinc/60/53/94/564605394.db2.gz VCMMARQQLAMTLN-VIFPVBQESA-N -1 3 377.198 3.233 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2c(F)cc(F)cc2F)cc1 ZINC000054476828 564605709 /nfs/dbraw/zinc/60/57/09/564605709.db2.gz QZRAYLRVEZLWIW-UHFFFAOYSA-N -1 3 375.393 3.450 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)n1 ZINC000054775380 564608798 /nfs/dbraw/zinc/60/87/98/564608798.db2.gz NKRMIRXMJLHPEP-UHFFFAOYSA-N -1 3 377.809 3.419 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000128298309 564614292 /nfs/dbraw/zinc/61/42/92/564614292.db2.gz BWDKPMYFRRTLFF-UHFFFAOYSA-N -1 3 378.212 3.342 20 0 GGADHM CCCCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000128314957 564614306 /nfs/dbraw/zinc/61/43/06/564614306.db2.gz JQCKMENGDUNFMX-CYBMUJFWSA-N -1 3 376.404 3.023 20 0 GGADHM CC(C)CC[C@@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000055070223 564614942 /nfs/dbraw/zinc/61/49/42/564614942.db2.gz CQSKRXDSYFXCGA-CQSZACIVSA-N -1 3 387.571 3.025 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000128331551 564615152 /nfs/dbraw/zinc/61/51/52/564615152.db2.gz KIWRFUJRWOONQJ-UHFFFAOYSA-N -1 3 382.247 3.065 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000055276852 564617918 /nfs/dbraw/zinc/61/79/18/564617918.db2.gz HQOXKZPFDHIEIV-UHFFFAOYSA-N -1 3 390.908 3.185 20 0 GGADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000055276793 564618416 /nfs/dbraw/zinc/61/84/16/564618416.db2.gz NZYZGHACAGTHLL-UHFFFAOYSA-N -1 3 390.908 3.185 20 0 GGADHM O=C([N-]c1cc(F)ccc1F)c1cc(Cn2cc(Br)cn2)on1 ZINC000128455957 564618936 /nfs/dbraw/zinc/61/89/36/564618936.db2.gz UXEFNTSSPANKDW-UHFFFAOYSA-N -1 3 383.152 3.212 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1nc2c(s1)CCCCCC2 ZINC000055375843 564620970 /nfs/dbraw/zinc/62/09/70/564620970.db2.gz RARPDBRFJATYKL-UHFFFAOYSA-N -1 3 399.563 3.171 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1[O-] ZINC000055548981 564623241 /nfs/dbraw/zinc/62/32/41/564623241.db2.gz YPJKVJAWBGHRRV-UHFFFAOYSA-N -1 3 376.217 3.286 20 0 GGADHM O=c1ccc([N-]S(=O)(=O)c2cccs2)cn1Cc1ccccc1Cl ZINC000055630109 564626016 /nfs/dbraw/zinc/62/60/16/564626016.db2.gz GOZGJHLFLILYCK-UHFFFAOYSA-N -1 3 380.878 3.412 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000055620361 564626447 /nfs/dbraw/zinc/62/64/47/564626447.db2.gz FCBZIKWPSBEFFO-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)c1 ZINC000055643354 564627097 /nfs/dbraw/zinc/62/70/97/564627097.db2.gz ZNZAVEWHAOOVRK-UHFFFAOYSA-N -1 3 385.869 3.483 20 0 GGADHM O=C(NC1CC1)c1cc([N-]S(=O)(=O)CCc2ccccc2)ccc1Cl ZINC000055639301 564627517 /nfs/dbraw/zinc/62/75/17/564627517.db2.gz RXVGOOIKSSLYJL-UHFFFAOYSA-N -1 3 378.881 3.217 20 0 GGADHM O=S(=O)([N-]CCNc1nc2cc(F)ccc2o1)c1ccc(Cl)s1 ZINC000128750785 564628457 /nfs/dbraw/zinc/62/84/57/564628457.db2.gz GCLHJGYYBRSASF-UHFFFAOYSA-N -1 3 375.834 3.072 20 0 GGADHM CNC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)ccc1Cl ZINC000055648373 564628560 /nfs/dbraw/zinc/62/85/60/564628560.db2.gz 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CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000056062141 564638470 /nfs/dbraw/zinc/63/84/70/564638470.db2.gz PMPJKLWIYKDKLD-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000056060244 564638898 /nfs/dbraw/zinc/63/88/98/564638898.db2.gz AKVVWMIFAKFPRV-UHFFFAOYSA-N -1 3 386.304 3.336 20 0 GGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129150020 564639880 /nfs/dbraw/zinc/63/98/80/564639880.db2.gz XBKURZSQJMJKQY-OAHLLOKOSA-N -1 3 378.416 3.069 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129148885 564640009 /nfs/dbraw/zinc/64/00/09/564640009.db2.gz OWEQDZYXICRQGA-HNNXBMFYSA-N -1 3 381.416 3.111 20 0 GGADHM O=S(=O)([N-]CCNc1ncccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000056103654 564641238 /nfs/dbraw/zinc/64/12/38/564641238.db2.gz RJFQPXMBJYGMAK-UHFFFAOYSA-N -1 3 385.820 3.206 20 0 GGADHM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000056142015 564642869 /nfs/dbraw/zinc/64/28/69/564642869.db2.gz POGBKFLUJOSEND-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000056142011 564642905 /nfs/dbraw/zinc/64/29/05/564642905.db2.gz XIGJCXWNBSRCPL-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2cccn2)c1)c1cccc(Cl)c1F ZINC000056140240 564643116 /nfs/dbraw/zinc/64/31/16/564643116.db2.gz QYLHSESVQUIJRM-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000056142000 564643170 /nfs/dbraw/zinc/64/31/70/564643170.db2.gz ABOJLKOEOMVRCI-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)NC1CCCCC1 ZINC000056130457 564643177 /nfs/dbraw/zinc/64/31/77/564643177.db2.gz IGTXUOGAOOPJEC-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C ZINC000129297219 564644601 /nfs/dbraw/zinc/64/46/01/564644601.db2.gz ACDOEASQOXALIL-QMMMGPOBSA-N -1 3 398.706 3.111 20 0 GGADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1sccc1-n1cnnn1 ZINC000056249324 564644895 /nfs/dbraw/zinc/64/48/95/564644895.db2.gz SRWHUFLXALTBNN-UHFFFAOYSA-N -1 3 389.853 3.148 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)sc1Br ZINC000129318903 564645513 /nfs/dbraw/zinc/64/55/13/564645513.db2.gz OOQQFTITRJYBPC-MXWKQRLJSA-N -1 3 380.329 3.055 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000056328297 564646464 /nfs/dbraw/zinc/64/64/64/564646464.db2.gz MIXFIPQGKZCAEL-UHFFFAOYSA-N -1 3 380.750 3.395 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ncc(C)cc2Br)ccc1C ZINC000129465344 564649181 /nfs/dbraw/zinc/64/91/81/564649181.db2.gz FFFSYAGCJDUYDF-UHFFFAOYSA-N -1 3 398.282 3.220 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000056498118 564649563 /nfs/dbraw/zinc/64/95/63/564649563.db2.gz JYHSBYTYMTVKRB-CYBMUJFWSA-N -1 3 389.807 3.201 20 0 GGADHM Cc1cc(C)c(C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)[nH]1 ZINC000129529786 564651193 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Cc1c(CC(=O)Nc2ccc(Br)cc2[O-])nnn1-c1ccccc1 ZINC000057170764 564662811 /nfs/dbraw/zinc/66/28/11/564662811.db2.gz WZAIAARUCWSIOU-UHFFFAOYSA-N -1 3 387.237 3.225 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3cccs3)n2)n1C[C@@H]1CCCO1 ZINC000057481022 564668804 /nfs/dbraw/zinc/66/88/04/564668804.db2.gz KXXXRCYHPGTJFR-NSHDSACASA-N -1 3 380.520 3.228 20 0 GGADHM Cc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000057509163 564669760 /nfs/dbraw/zinc/66/97/60/564669760.db2.gz JHOCRRXJEMOHEJ-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)c1 ZINC000057785410 564674243 /nfs/dbraw/zinc/67/42/43/564674243.db2.gz WNKGNIPSIIHLNI-UHFFFAOYSA-N -1 3 384.841 3.116 20 0 GGADHM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)cc(C)c2[O-])no1 ZINC000523942166 564674563 /nfs/dbraw/zinc/67/45/63/564674563.db2.gz XSDMTQHQBUBSPQ-JTQLQIEISA-N -1 3 383.857 3.349 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CCCC1 ZINC000057993278 564678128 /nfs/dbraw/zinc/67/81/28/564678128.db2.gz IHKKXLBEPUFINE-UHFFFAOYSA-N -1 3 380.293 3.374 20 0 GGADHM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000130448772 564682093 /nfs/dbraw/zinc/68/20/93/564682093.db2.gz SDFCNGYWCFAGRZ-ZDUSSCGKSA-N -1 3 394.534 3.079 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1 ZINC000130489912 564683046 /nfs/dbraw/zinc/68/30/46/564683046.db2.gz CARHOHZGTHQGHT-UHFFFAOYSA-N -1 3 387.230 3.347 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc([C@H]2CCCO2)s1 ZINC000130571959 564685869 /nfs/dbraw/zinc/68/58/69/564685869.db2.gz OGGHLYMPQVQFFD-GFCCVEGCSA-N -1 3 383.267 3.393 20 0 GGADHM O=c1[n-]c(-c2cccc(OCC(F)F)n2)nc2sc3c(c21)CCSC3 ZINC000130573945 564685972 /nfs/dbraw/zinc/68/59/72/564685972.db2.gz UYAYQPFOCQFASN-UHFFFAOYSA-N -1 3 381.429 3.480 20 0 GGADHM O=c1[n-]c(-c2cnc(NCC(F)F)cn2)nc2ccc(Br)cc12 ZINC000487471319 564688635 /nfs/dbraw/zinc/68/86/35/564688635.db2.gz JEGUJJXXSGJJBJ-UHFFFAOYSA-N -1 3 382.168 3.232 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)s1 ZINC000130673572 564689279 /nfs/dbraw/zinc/68/92/79/564689279.db2.gz RZEKPCBUKRNCRD-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CSC3CCCC3)nc(=O)c2c1C ZINC000058828617 564690063 /nfs/dbraw/zinc/69/00/63/564690063.db2.gz VOJQIFHIHMHXAG-UHFFFAOYSA-N -1 3 382.507 3.272 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]c2c(F)cc(F)cc2Br)c1 ZINC000130739061 564690902 /nfs/dbraw/zinc/69/09/02/564690902.db2.gz VNLOKCIGNMZUCD-UHFFFAOYSA-N -1 3 380.214 3.306 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2cccc(Br)c2)c(=O)[n-]1 ZINC000130917749 564695501 /nfs/dbraw/zinc/69/55/01/564695501.db2.gz NHFIEPYPPZPCJN-INIZCTEOSA-N -1 3 390.281 3.055 20 0 GGADHM Cc1c[nH]c(NC(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)n1 ZINC000130954428 564697005 /nfs/dbraw/zinc/69/70/05/564697005.db2.gz BCJSCECEXAJSKJ-UHFFFAOYSA-N -1 3 382.511 3.033 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000060359259 564697421 /nfs/dbraw/zinc/69/74/21/564697421.db2.gz GMKZYOAFAWOSAU-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2cccc(Br)c2)CCC1 ZINC000060510472 564699848 /nfs/dbraw/zinc/69/98/48/564699848.db2.gz VXVAKINUESNBMR-UHFFFAOYSA-N -1 3 399.310 3.454 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2ccc(Br)cc2)CCC1 ZINC000060510427 564700323 /nfs/dbraw/zinc/70/03/23/564700323.db2.gz XKXHHWUDIQYZFS-UHFFFAOYSA-N -1 3 399.310 3.454 20 0 GGADHM O=C(c1cc(Br)ccc1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000060579347 564701000 /nfs/dbraw/zinc/70/10/00/564701000.db2.gz KDJXRZGCOFEMRV-UHFFFAOYSA-N -1 3 381.314 3.493 20 0 GGADHM C[C@H]1CCC[C@H](CC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000131142546 564702485 /nfs/dbraw/zinc/70/24/85/564702485.db2.gz ROHPHHABEBDQEN-GJZGRUSLSA-N -1 3 384.567 3.234 20 0 GGADHM C[C@@H]1CCC[C@H](CC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000131142380 564702580 /nfs/dbraw/zinc/70/25/80/564702580.db2.gz ROHPHHABEBDQEN-CABCVRRESA-N -1 3 384.567 3.234 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000061183515 564704968 /nfs/dbraw/zinc/70/49/68/564704968.db2.gz ISDXABREKKGGPT-UHFFFAOYSA-N -1 3 378.458 3.492 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3ccsc3)n2)n1C[C@H]1CCCO1 ZINC000061409966 564705784 /nfs/dbraw/zinc/70/57/84/564705784.db2.gz NMCVSZSEZISPPD-GFCCVEGCSA-N -1 3 380.520 3.228 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1CC1CCCCC1 ZINC000061570627 564706908 /nfs/dbraw/zinc/70/69/08/564706908.db2.gz WSJOQCPRNACQBK-INIZCTEOSA-N -1 3 384.567 3.378 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000061569775 564706928 /nfs/dbraw/zinc/70/69/28/564706928.db2.gz YKJVWEDXKIYTIU-GOEBONIOSA-N -1 3 384.567 3.376 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccccc2Br)c1 ZINC000061634540 564707854 /nfs/dbraw/zinc/70/78/54/564707854.db2.gz XJBUCNSDTGNPGN-UHFFFAOYSA-N -1 3 377.238 3.086 20 0 GGADHM CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131530405 564714634 /nfs/dbraw/zinc/71/46/34/564714634.db2.gz HWPAQZRBXGIKOK-UHFFFAOYSA-N -1 3 397.287 3.362 20 0 GGADHM CCc1ccc([C@@H](COC)NC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000131541678 564715921 /nfs/dbraw/zinc/71/59/21/564715921.db2.gz JNSWBZOUDVFCOK-CQSZACIVSA-N -1 3 397.269 3.497 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000131552449 564715929 /nfs/dbraw/zinc/71/59/29/564715929.db2.gz TXDKBBLYAVWZKY-UHFFFAOYSA-N -1 3 392.131 3.230 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCOc1ccc(Cl)cc1Cl ZINC000063311020 564716757 /nfs/dbraw/zinc/71/67/57/564716757.db2.gz VWOMKSVYAZAZJE-UHFFFAOYSA-N -1 3 379.265 3.346 20 0 GGADHM C[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000063341740 564716892 /nfs/dbraw/zinc/71/68/92/564716892.db2.gz NCQLJPRXVLFDJU-LBPRGKRZSA-N -1 3 393.336 3.310 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000063442290 564717806 /nfs/dbraw/zinc/71/78/06/564717806.db2.gz DMLUESJNWJKNNM-UHFFFAOYSA-N -1 3 375.368 3.320 20 0 GGADHM CCOC(=O)/C(=C/c1cc(Br)c([O-])c(OC)c1)c1nccn1C ZINC000063413232 564717904 /nfs/dbraw/zinc/71/79/04/564717904.db2.gz LYXQNCCZXVJWLY-YRNVUSSQSA-N -1 3 381.226 3.001 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)c1ccccc1Cl ZINC000063519235 564718913 /nfs/dbraw/zinc/71/89/13/564718913.db2.gz UHGNCDBZGYKLNL-KRWDZBQOSA-N -1 3 385.892 3.236 20 0 GGADHM CSc1cncc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000131641108 564719387 /nfs/dbraw/zinc/71/93/87/564719387.db2.gz YPVIFDQDFDEHJB-UHFFFAOYSA-N -1 3 378.885 3.413 20 0 GGADHM CCCCN(CCCC)S(=O)(=O)[N-]CC(=O)Nc1ccc(C)cc1Cl ZINC000063766135 564722350 /nfs/dbraw/zinc/72/23/50/564722350.db2.gz GSJCVXHIMNMKJP-UHFFFAOYSA-N -1 3 389.949 3.324 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000063766220 564722643 /nfs/dbraw/zinc/72/26/43/564722643.db2.gz CRERTCNBINRUCL-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1C ZINC000063886576 564725077 /nfs/dbraw/zinc/72/50/77/564725077.db2.gz MHKSUQIUNUUAIP-UHFFFAOYSA-N -1 3 381.519 3.266 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911811 564725624 /nfs/dbraw/zinc/72/56/24/564725624.db2.gz XSGGEDVCVGOTGU-UHFFFAOYSA-N -1 3 396.749 3.398 20 0 GGADHM Cc1ccc(NC(=O)CN(C)Cc2nc3ccsc3c(=O)[n-]2)cc1Cl ZINC000131837219 564725924 /nfs/dbraw/zinc/72/59/24/564725924.db2.gz HUFOXQNPDFXHIJ-UHFFFAOYSA-N -1 3 376.869 3.017 20 0 GGADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1cc(Cl)ccn1 ZINC000064463099 564730055 /nfs/dbraw/zinc/73/00/55/564730055.db2.gz QHUOQYVNKMHQQJ-UHFFFAOYSA-N -1 3 392.644 3.390 20 0 GGADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000064479403 564730432 /nfs/dbraw/zinc/73/04/32/564730432.db2.gz ITLAPWBSKAWHGH-UHFFFAOYSA-N -1 3 387.816 3.222 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000131988782 564731150 /nfs/dbraw/zinc/73/11/50/564731150.db2.gz QLEVJURNZVWGRO-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM COc1ccc(Br)cc1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000064511150 564732023 /nfs/dbraw/zinc/73/20/23/564732023.db2.gz URNDCSCSMPEQQF-UHFFFAOYSA-N -1 3 387.233 3.229 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)c1ccccn1 ZINC000132064201 564732836 /nfs/dbraw/zinc/73/28/36/564732836.db2.gz OXFQZDWSSUBZBC-MRXNPFEDSA-N -1 3 378.450 3.359 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Br)c(F)c1 ZINC000064645820 564733677 /nfs/dbraw/zinc/73/36/77/564733677.db2.gz RMJJFPSFODLBLA-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM COCc1nc(C)c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)s1 ZINC000132145055 564734337 /nfs/dbraw/zinc/73/43/37/564734337.db2.gz ZQPASKKWIIKUAS-UHFFFAOYSA-N -1 3 378.454 3.432 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2sc3ccc(F)cc3c2C)s1 ZINC000064799321 564734654 /nfs/dbraw/zinc/73/46/54/564734654.db2.gz RLEPGVLXEAXCAL-UHFFFAOYSA-N -1 3 398.506 3.248 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccncc3Br)c2)n1 ZINC000132169717 564735686 /nfs/dbraw/zinc/73/56/86/564735686.db2.gz ZWGVODXNJIKKRG-UHFFFAOYSA-N -1 3 399.248 3.409 20 0 GGADHM Cc1ccc(CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C(C)C)s1 ZINC000064865259 564736054 /nfs/dbraw/zinc/73/60/54/564736054.db2.gz QSANYQIVDJDUEZ-ZDUSSCGKSA-N -1 3 386.564 3.222 20 0 GGADHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1OC ZINC000064938517 564736276 /nfs/dbraw/zinc/73/62/76/564736276.db2.gz BJXJGVXKIMHQBM-UHFFFAOYSA-N -1 3 387.860 3.407 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000064860291 564736649 /nfs/dbraw/zinc/73/66/49/564736649.db2.gz APVHWXXWAJCKJK-IUODEOHRSA-N -1 3 398.937 3.432 20 0 GGADHM CCCCN(CCCC)S(=O)(=O)[N-]CC(=O)Nc1ccc(Cl)cc1 ZINC000064953902 564737849 /nfs/dbraw/zinc/73/78/49/564737849.db2.gz OMIHAQAHQTWHKP-UHFFFAOYSA-N -1 3 375.922 3.015 20 0 GGADHM C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C[C@@H]1C ZINC000132294359 564738474 /nfs/dbraw/zinc/73/84/74/564738474.db2.gz ZELCYRZEJMTOMV-OLZOCXBDSA-N -1 3 398.575 3.406 20 0 GGADHM C[C@@H](CCc1cccn1C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000132313503 564739257 /nfs/dbraw/zinc/73/92/57/564739257.db2.gz YVZPWCQTTQBUMT-LBPRGKRZSA-N -1 3 380.286 3.314 20 0 GGADHM Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000132309033 564739379 /nfs/dbraw/zinc/73/93/79/564739379.db2.gz LUIDEQODGUXTJX-UHFFFAOYSA-N -1 3 377.238 3.026 20 0 GGADHM Cc1cc(C)c(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000132303244 564739630 /nfs/dbraw/zinc/73/96/30/564739630.db2.gz LHTBWCBTUFVLGT-UHFFFAOYSA-N -1 3 391.265 3.335 20 0 GGADHM Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000132304176 564739718 /nfs/dbraw/zinc/73/97/18/564739718.db2.gz QMEBRRVGTUJSGA-UHFFFAOYSA-N -1 3 377.238 3.026 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(C3CCCC3)CC2)c1 ZINC000132306102 564739784 /nfs/dbraw/zinc/73/97/84/564739784.db2.gz QTTQIMOJBYHMJI-UHFFFAOYSA-N -1 3 384.929 3.228 20 0 GGADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000065268613 564741520 /nfs/dbraw/zinc/74/15/20/564741520.db2.gz YVBFZDYPGJCRNY-UHFFFAOYSA-N -1 3 392.315 3.483 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1ccccc1Cl ZINC000065505873 564742549 /nfs/dbraw/zinc/74/25/49/564742549.db2.gz WFLCYZNZQNJXHO-CQSZACIVSA-N -1 3 384.910 3.044 20 0 GGADHM Cc1cccc(N2CCC([N-]S(=O)(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000132515484 564746016 /nfs/dbraw/zinc/74/60/16/564746016.db2.gz PUKQXXIUOQUBAS-UHFFFAOYSA-N -1 3 383.876 3.130 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000132719230 564751117 /nfs/dbraw/zinc/75/11/17/564751117.db2.gz LHVLFELQSSLWTF-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Br)cc1)c1cc(F)cc(F)c1 ZINC000065971972 564752802 /nfs/dbraw/zinc/75/28/02/564752802.db2.gz CDHPKSDIXIRLFT-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000065971982 564752991 /nfs/dbraw/zinc/75/29/91/564752991.db2.gz BXDVNQJYVXESHE-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1I ZINC000132811973 564753664 /nfs/dbraw/zinc/75/36/64/564753664.db2.gz WXFHEWOTMIZCLT-UHFFFAOYSA-N -1 3 385.176 3.374 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2cccc(Br)c2)c1 ZINC000132816272 564754083 /nfs/dbraw/zinc/75/40/83/564754083.db2.gz CQNYOQHYFNBSRZ-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM COc1cccc([C@H](CNC(=O)c2ccc(Br)c([O-])c2)N(C)C)c1 ZINC000132840252 564754580 /nfs/dbraw/zinc/75/45/80/564754580.db2.gz PSNBVGYLGHTJEX-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM CCN(CC)CCN(Cc1cccs1)Cc1nc(=O)c2sccc2[n-]1 ZINC000132897412 564756857 /nfs/dbraw/zinc/75/68/57/564756857.db2.gz QMOQRIMREVFVIF-UHFFFAOYSA-N -1 3 376.551 3.390 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000132961950 564758962 /nfs/dbraw/zinc/75/89/62/564758962.db2.gz PWNZOZFRPBYUAQ-CQSZACIVSA-N -1 3 384.910 3.044 20 0 GGADHM CCC(CC)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCOCC1 ZINC000132988674 564759077 /nfs/dbraw/zinc/75/90/77/564759077.db2.gz ALUMXMQJUVBTSZ-INIZCTEOSA-N -1 3 399.329 3.022 20 0 GGADHM O=C(CCCc1cccs1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133065759 564761876 /nfs/dbraw/zinc/76/18/76/564761876.db2.gz DXSYKTIKOSAIAJ-UHFFFAOYSA-N -1 3 382.482 3.289 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F ZINC000133256432 564767569 /nfs/dbraw/zinc/76/75/69/564767569.db2.gz AMHDOZDSVCOFHZ-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000133237739 564767659 /nfs/dbraw/zinc/76/76/59/564767659.db2.gz PDSQGHMKJDLKPV-UHFFFAOYSA-N -1 3 398.893 3.164 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCc2ccccc2C1 ZINC000133304435 564769544 /nfs/dbraw/zinc/76/95/44/564769544.db2.gz FURZWHZIBHTQOR-ZDUSSCGKSA-N -1 3 389.293 3.331 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000066585694 564770334 /nfs/dbraw/zinc/77/03/34/564770334.db2.gz PDDCKDHYSFOKOG-UHFFFAOYSA-N -1 3 375.837 3.261 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2ccc(Br)c([O-])c2)N(C)C)cc1 ZINC000133310671 564770524 /nfs/dbraw/zinc/77/05/24/564770524.db2.gz LIYHACAXDXPHKB-INIZCTEOSA-N -1 3 377.282 3.496 20 0 GGADHM C[S@@](=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000133355322 564771095 /nfs/dbraw/zinc/77/10/95/564771095.db2.gz IPWRNTWPXLVTPJ-QFIPXVFZSA-N -1 3 383.267 3.214 20 0 GGADHM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000133345754 564771445 /nfs/dbraw/zinc/77/14/45/564771445.db2.gz WXPZOZMIGLORMN-ZDUSSCGKSA-N -1 3 391.320 3.063 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066708540 564772928 /nfs/dbraw/zinc/77/29/28/564772928.db2.gz RPSBQCPTYYWSBH-MRXNPFEDSA-N -1 3 377.231 3.478 20 0 GGADHM Cc1c(C(=O)NCC[N-]S(=O)(=O)c2cccs2)sc2cccc(F)c12 ZINC000133416923 564773309 /nfs/dbraw/zinc/77/33/09/564773309.db2.gz QIXMZIFYFUEDIZ-UHFFFAOYSA-N -1 3 398.506 3.119 20 0 GGADHM Cc1cc(C)c2c(c1)N(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)CCC2 ZINC000066732978 564774055 /nfs/dbraw/zinc/77/40/55/564774055.db2.gz KYUBDXKOABATNO-CQSZACIVSA-N -1 3 378.519 3.011 20 0 GGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1Cl ZINC000133543447 564777744 /nfs/dbraw/zinc/77/77/44/564777744.db2.gz CRKJRLMCNFJCNJ-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM Cc1cc2sc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)nc2c(C)c1 ZINC000067043438 564782122 /nfs/dbraw/zinc/78/21/22/564782122.db2.gz FUXZLQFQIOUCJH-NSHDSACASA-N -1 3 395.531 3.280 20 0 GGADHM Cc1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)ccc1Br ZINC000133753648 564783604 /nfs/dbraw/zinc/78/36/04/564783604.db2.gz VARIVEMGNZMVTQ-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM Cc1cccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1Br ZINC000133753079 564784184 /nfs/dbraw/zinc/78/41/84/564784184.db2.gz KARGAGNAUHEHMD-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067139029 564784655 /nfs/dbraw/zinc/78/46/55/564784655.db2.gz FYFYJEWODONCOZ-VIFPVBQESA-N -1 3 389.260 3.005 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 ZINC000067118666 564784842 /nfs/dbraw/zinc/78/48/42/564784842.db2.gz TZGCWLUFWHAHFZ-UHFFFAOYSA-N -1 3 399.299 3.002 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])c1sccc1S(=O)(=O)N1CCCC1 ZINC000067139123 564784940 /nfs/dbraw/zinc/78/49/40/564784940.db2.gz HRBOQILVGNUOTB-UHFFFAOYSA-N -1 3 386.882 3.144 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1cccc(F)c1 ZINC000067118623 564785163 /nfs/dbraw/zinc/78/51/63/564785163.db2.gz UTXVPGZMPUIBDO-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM CC(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000134107789 564793737 /nfs/dbraw/zinc/79/37/37/564793737.db2.gz ZYNYYIDXOPMCOZ-MRXNPFEDSA-N -1 3 386.926 3.193 20 0 GGADHM CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000134107586 564793821 /nfs/dbraw/zinc/79/38/21/564793821.db2.gz ZYNYYIDXOPMCOZ-INIZCTEOSA-N -1 3 386.926 3.193 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)c1cnc(-c2ccccc2F)s1 ZINC000067547861 564794968 /nfs/dbraw/zinc/79/49/68/564794968.db2.gz QTTCECHVZCJBAU-UHFFFAOYSA-N -1 3 378.410 3.230 20 0 GGADHM O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134159531 564795546 /nfs/dbraw/zinc/79/55/46/564795546.db2.gz NXCMFBJORMLIBU-UHFFFAOYSA-N -1 3 393.770 3.477 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccon1 ZINC000067704607 564797848 /nfs/dbraw/zinc/79/78/48/564797848.db2.gz WGXVCCUSVHRIDB-UHFFFAOYSA-N -1 3 377.809 3.381 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000134302954 564799186 /nfs/dbraw/zinc/79/91/86/564799186.db2.gz UKBXGTWNQKGDSO-UHFFFAOYSA-N -1 3 381.523 3.085 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000067918229 564802569 /nfs/dbraw/zinc/80/25/69/564802569.db2.gz NRQGCRHRWBUEPE-LLVKDONJSA-N -1 3 383.286 3.378 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1 ZINC000134440501 564803059 /nfs/dbraw/zinc/80/30/59/564803059.db2.gz DBNHLVJWJHJTTK-SNVBAGLBSA-N -1 3 380.853 3.423 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1cc(Br)ccc1Cl ZINC000067950031 564803988 /nfs/dbraw/zinc/80/39/88/564803988.db2.gz CIZRIJVMPZNCRZ-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM O=S(=O)([N-]CCCOCC1CC1)c1cc(Br)ccc1Cl ZINC000067946840 564804289 /nfs/dbraw/zinc/80/42/89/564804289.db2.gz IGHAWACOVPUMPM-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)o1 ZINC000068010709 564805781 /nfs/dbraw/zinc/80/57/81/564805781.db2.gz KNKBOEDMMRGUOT-UHFFFAOYSA-N -1 3 397.865 3.248 20 0 GGADHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000134596823 564808116 /nfs/dbraw/zinc/80/81/16/564808116.db2.gz LLIZMLNKGGONOQ-ABAIWWIYSA-N -1 3 398.301 3.313 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2ccco2)[nH]c1=O ZINC000068182660 564810922 /nfs/dbraw/zinc/81/09/22/564810922.db2.gz YVCCWYALVDCJHR-UHFFFAOYSA-N -1 3 375.178 3.355 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1I)c1ccc(F)cc1 ZINC000134669019 564811656 /nfs/dbraw/zinc/81/16/56/564811656.db2.gz HBBKYEDBGFJQCB-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2CCC(C)C)s1 ZINC000134715216 564813636 /nfs/dbraw/zinc/81/36/36/564813636.db2.gz XVZAYWNVAWBXND-AWEZNQCLSA-N -1 3 387.571 3.157 20 0 GGADHM O=C(N[C@@H]1C=CCCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000134751948 564814590 /nfs/dbraw/zinc/81/45/90/564814590.db2.gz VKCAOYYHGFXKNF-GFCCVEGCSA-N -1 3 382.532 3.127 20 0 GGADHM CC(C)[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000068382316 564816585 /nfs/dbraw/zinc/81/65/85/564816585.db2.gz BAHGKLWNKLEOTL-MLGOLLRUSA-N -1 3 384.498 3.068 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000068383243 564816613 /nfs/dbraw/zinc/81/66/13/564816613.db2.gz SVKHFRKIUCJNSJ-NSHDSACASA-N -1 3 393.515 3.177 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000068382478 564816762 /nfs/dbraw/zinc/81/67/62/564816762.db2.gz GQXBAAPQAPMXSL-HOCLYGCPSA-N -1 3 378.519 3.087 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068383290 564816799 /nfs/dbraw/zinc/81/67/99/564816799.db2.gz UNRZXYSSYVAUSA-LBPRGKRZSA-N -1 3 386.926 3.117 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068382786 564816910 /nfs/dbraw/zinc/81/69/10/564816910.db2.gz SOWGDUIURJWWMA-YPMHNXCESA-N -1 3 384.548 3.012 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068382035 564816923 /nfs/dbraw/zinc/81/69/23/564816923.db2.gz NSUKZZCMYYKFGP-SNVBAGLBSA-N -1 3 388.898 3.024 20 0 GGADHM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068382598 564817080 /nfs/dbraw/zinc/81/70/80/564817080.db2.gz RXKBJBHFOUBYLZ-NWDGAFQWSA-N -1 3 386.926 3.288 20 0 GGADHM Cc1cccc([C@H]2CCCN2C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000068383706 564817139 /nfs/dbraw/zinc/81/71/39/564817139.db2.gz PCVVENQXEJYYEU-GDBMZVCRSA-N -1 3 378.519 3.087 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cn1 ZINC000134855267 564817360 /nfs/dbraw/zinc/81/73/60/564817360.db2.gz DNFNLFMWXVXNLZ-UHFFFAOYSA-N -1 3 393.774 3.378 20 0 GGADHM Cc1cc(Br)cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000134978685 564820119 /nfs/dbraw/zinc/82/01/19/564820119.db2.gz UCEUHMXZEPCIAR-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc2c(cc1F)NC(=O)CC2 ZINC000134971281 564820405 /nfs/dbraw/zinc/82/04/05/564820405.db2.gz CORKCYVRTKQADV-UHFFFAOYSA-N -1 3 379.185 3.431 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1Cl ZINC000135235024 564825993 /nfs/dbraw/zinc/82/59/93/564825993.db2.gz VCIKSNQGLQJTQV-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM CC(C)C[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000135298580 564826972 /nfs/dbraw/zinc/82/69/72/564826972.db2.gz CIKCIMXWZKCDEY-SNVBAGLBSA-N -1 3 380.080 3.196 20 0 GGADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000135326692 564827881 /nfs/dbraw/zinc/82/78/81/564827881.db2.gz CBZXSVNDTCVCFX-UHFFFAOYSA-N -1 3 386.470 3.121 20 0 GGADHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000068882715 564828240 /nfs/dbraw/zinc/82/82/40/564828240.db2.gz HIDUUVYUSPEHCO-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM COc1cccc([C@@H](CNC(=O)c2cc(Br)ccc2[O-])N(C)C)c1 ZINC000069232908 564836064 /nfs/dbraw/zinc/83/60/64/564836064.db2.gz RBCMIGGTSHGVFW-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c(Cl)c1 ZINC000135971484 564843046 /nfs/dbraw/zinc/84/30/46/564843046.db2.gz KVMNSEVJFGRNGR-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM CCN(CC1CC1)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000069747192 564843398 /nfs/dbraw/zinc/84/33/98/564843398.db2.gz FHRVUUAVNTZGPR-UHFFFAOYSA-N -1 3 384.548 3.160 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCC(=O)Nc1ccc(Br)cc1 ZINC000136186680 564845717 /nfs/dbraw/zinc/84/57/17/564845717.db2.gz NFVRWUWIGGIITA-UHFFFAOYSA-N -1 3 397.656 3.106 20 0 GGADHM CSc1ccccc1NC(=O)CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000136130792 564846146 /nfs/dbraw/zinc/84/61/46/564846146.db2.gz FGTHTJHMQYTODK-UHFFFAOYSA-N -1 3 378.881 3.407 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)C)s1 ZINC000069871262 564846508 /nfs/dbraw/zinc/84/65/08/564846508.db2.gz VQTKSLJCSQWFTH-GOSISDBHSA-N -1 3 380.535 3.368 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2sccc2Br)c1 ZINC000070164038 564849612 /nfs/dbraw/zinc/84/96/12/564849612.db2.gz GPBCKLNYMVFOIS-UHFFFAOYSA-N -1 3 378.244 3.306 20 0 GGADHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1Cl ZINC000136802635 564855589 /nfs/dbraw/zinc/85/55/89/564855589.db2.gz MHAWKNNSWYYOQU-JTQLQIEISA-N -1 3 390.889 3.086 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1Cl ZINC000136784410 564855639 /nfs/dbraw/zinc/85/56/39/564855639.db2.gz WDOWGTCGJBJLFM-ZJUUUORDSA-N -1 3 390.889 3.085 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000072060252 564861031 /nfs/dbraw/zinc/86/10/31/564861031.db2.gz HTHKUBRHJQRSSL-OAHLLOKOSA-N -1 3 389.249 3.398 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1csc(S(N)(=O)=O)c1 ZINC000078509829 564863878 /nfs/dbraw/zinc/86/38/78/564863878.db2.gz YZXRIQBVNOWMNC-UHFFFAOYSA-N -1 3 376.912 3.413 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1 ZINC000137828933 564864180 /nfs/dbraw/zinc/86/41/80/564864180.db2.gz IEJZFZJRKROEBJ-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000141777420 564874544 /nfs/dbraw/zinc/87/45/44/564874544.db2.gz VNEXDTGYHFVSIQ-SMDDNHRTSA-N -1 3 386.926 3.336 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000149522225 564886216 /nfs/dbraw/zinc/88/62/16/564886216.db2.gz VAJAQRUFKYSYDK-BDAKNGLRSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000149522225 564886222 /nfs/dbraw/zinc/88/62/22/564886222.db2.gz VAJAQRUFKYSYDK-BDAKNGLRSA-N -1 3 375.148 3.328 20 0 GGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000150838283 564893131 /nfs/dbraw/zinc/89/31/31/564893131.db2.gz OSRYCFXRDXBMCO-OAHLLOKOSA-N -1 3 377.491 3.374 20 0 GGADHM O=C(Nc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1)c1cccs1 ZINC000150840189 564893244 /nfs/dbraw/zinc/89/32/44/564893244.db2.gz GUTZCNYFRIVCKT-OAHLLOKOSA-N -1 3 380.491 3.311 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)CC)cc1F ZINC000093921545 564893611 /nfs/dbraw/zinc/89/36/11/564893611.db2.gz RAMCGZLILLXLIG-STQMWFEESA-N -1 3 394.534 3.080 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1)c1cccs1 ZINC000150852734 564893906 /nfs/dbraw/zinc/89/39/06/564893906.db2.gz JEQJPKKHVLZNJY-HNNXBMFYSA-N -1 3 380.491 3.311 20 0 GGADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000093944518 564894681 /nfs/dbraw/zinc/89/46/81/564894681.db2.gz WJMBFVSZZIHXAP-UHFFFAOYSA-N -1 3 375.437 3.144 20 0 GGADHM COc1cc(F)cc(C[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000093931710 564894901 /nfs/dbraw/zinc/89/49/01/564894901.db2.gz KVINIUZYTGPZMO-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000094134163 564897426 /nfs/dbraw/zinc/89/74/26/564897426.db2.gz OOBXKZPKJCLCHM-UHFFFAOYSA-N -1 3 393.281 3.484 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000150964619 564899234 /nfs/dbraw/zinc/89/92/34/564899234.db2.gz ASNLCBNIRPAVLA-LSDHHAIUSA-N -1 3 393.285 3.334 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)N1CCc2ccccc21 ZINC000150958786 564899311 /nfs/dbraw/zinc/89/93/11/564899311.db2.gz NRFFRJPOZMELFN-UHFFFAOYSA-N -1 3 399.299 3.002 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)OC)c1 ZINC000096390334 564902155 /nfs/dbraw/zinc/90/21/55/564902155.db2.gz OMRKPOJZGSSCBZ-MRXNPFEDSA-N -1 3 385.869 3.023 20 0 GGADHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Br ZINC000096589054 564903247 /nfs/dbraw/zinc/90/32/47/564903247.db2.gz SVFVZTKUOYWPBA-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000096997176 564903919 /nfs/dbraw/zinc/90/39/19/564903919.db2.gz CDOSNAOHRMOOMX-AWEZNQCLSA-N -1 3 388.258 3.254 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000096997177 564903925 /nfs/dbraw/zinc/90/39/25/564903925.db2.gz CDOSNAOHRMOOMX-CQSZACIVSA-N -1 3 388.258 3.254 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)cc(Cl)c1 ZINC000096998361 564903934 /nfs/dbraw/zinc/90/39/34/564903934.db2.gz ITLCGSANYYJEOV-VIFPVBQESA-N -1 3 391.242 3.156 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(C2CC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000096996968 564904433 /nfs/dbraw/zinc/90/44/33/564904433.db2.gz QUQUTKQZRJKAHN-VIFPVBQESA-N -1 3 383.728 3.409 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000097271898 564907610 /nfs/dbraw/zinc/90/76/10/564907610.db2.gz YLQXHHXHXKYCHR-HIFRSBDPSA-N -1 3 391.798 3.295 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000151161072 564908308 /nfs/dbraw/zinc/90/83/08/564908308.db2.gz KIFHIHYRUOMTAC-UHFFFAOYSA-N -1 3 392.786 3.260 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnnn1-c1ccccc1 ZINC000097573003 564908396 /nfs/dbraw/zinc/90/83/96/564908396.db2.gz KXWOKKCWBPJHCF-JTQLQIEISA-N -1 3 398.275 3.009 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)c2ccc(Br)cc2Cl)c(=O)[n-]1 ZINC000097712567 564910163 /nfs/dbraw/zinc/91/01/63/564910163.db2.gz JLWGALMUQRPYTR-UHFFFAOYSA-N -1 3 398.688 3.398 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000098068725 564912415 /nfs/dbraw/zinc/91/24/15/564912415.db2.gz SGSOLOXFGLJJFO-UHFFFAOYSA-N -1 3 388.555 3.182 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc2n[n-]nc2c1 ZINC000498899802 564912582 /nfs/dbraw/zinc/91/25/82/564912582.db2.gz WHRQGSFMVIJPOO-UHFFFAOYSA-N -1 3 383.209 3.158 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)c1cccc(Br)c1 ZINC000151305846 564914586 /nfs/dbraw/zinc/91/45/86/564914586.db2.gz ONVYETWNGZPPMO-VIFPVBQESA-N -1 3 383.267 3.481 20 0 GGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)o1 ZINC000151327957 564914771 /nfs/dbraw/zinc/91/47/71/564914771.db2.gz MQMOQSSWYOYJIM-AWEZNQCLSA-N -1 3 382.507 3.072 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(F)c1F ZINC000101575792 564918791 /nfs/dbraw/zinc/91/87/91/564918791.db2.gz UNGBYAFSNRNZHP-ZDUSSCGKSA-N -1 3 386.489 3.217 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nc(-c3ccco3)cs2)ccc1F ZINC000101643746 564919441 /nfs/dbraw/zinc/91/94/41/564919441.db2.gz CCXATBLYNZRXGG-UHFFFAOYSA-N -1 3 381.410 3.166 20 0 GGADHM O=C([N-]c1nccs1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000101627010 564919913 /nfs/dbraw/zinc/91/99/13/564919913.db2.gz JGQOLCFXAQIDMW-UHFFFAOYSA-N -1 3 385.536 3.458 20 0 GGADHM CCOc1ccccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151512873 564923574 /nfs/dbraw/zinc/92/35/74/564923574.db2.gz QWZYZCJKHILPCV-UHFFFAOYSA-N -1 3 380.238 3.249 20 0 GGADHM COCCOc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151528706 564924364 /nfs/dbraw/zinc/92/43/64/564924364.db2.gz LXMGJULSXBOMFN-UHFFFAOYSA-N -1 3 380.238 3.110 20 0 GGADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCc2ccccc2C1 ZINC000151523723 564924467 /nfs/dbraw/zinc/92/44/67/564924467.db2.gz IMMPUSJBDUPFHZ-CYBMUJFWSA-N -1 3 389.293 3.218 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000152768846 564971387 /nfs/dbraw/zinc/97/13/87/564971387.db2.gz VXKYNKVZZCENDB-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(cc1F)NC(=O)CC2 ZINC000151555418 564926258 /nfs/dbraw/zinc/92/62/58/564926258.db2.gz UJQQWZLEQRSFEY-UHFFFAOYSA-N -1 3 393.212 3.109 20 0 GGADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151557628 564926400 /nfs/dbraw/zinc/92/64/00/564926400.db2.gz TWVRAMLXAWSBLD-TZMCWYRMSA-N -1 3 397.313 3.056 20 0 GGADHM CCCc1nnc([N-]C(=O)c2oc3ccccc3c2CS(C)(=O)=O)s1 ZINC000102220208 564926882 /nfs/dbraw/zinc/92/68/82/564926882.db2.gz BHFPGLQRZIZPRM-UHFFFAOYSA-N -1 3 379.463 3.034 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(N2CCCC2=O)cc1 ZINC000151567284 564927183 /nfs/dbraw/zinc/92/71/83/564927183.db2.gz YJCIMCBTKQOKTE-UHFFFAOYSA-N -1 3 389.249 3.212 20 0 GGADHM COc1ccc(CCC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000151566218 564927200 /nfs/dbraw/zinc/92/72/00/564927200.db2.gz IFFGCCVKPDDZOY-UHFFFAOYSA-N -1 3 394.265 3.421 20 0 GGADHM Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151573676 564927266 /nfs/dbraw/zinc/92/72/66/564927266.db2.gz PRHPOSMYVPFJSY-UHFFFAOYSA-N -1 3 389.253 3.053 20 0 GGADHM COCCOc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151564476 564927369 /nfs/dbraw/zinc/92/73/69/564927369.db2.gz GQLJBJXTPKWAJP-UHFFFAOYSA-N -1 3 380.238 3.110 20 0 GGADHM CS(=O)(=O)Cc1c2ccccc2oc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000102241182 564927708 /nfs/dbraw/zinc/92/77/08/564927708.db2.gz BWTYDEPRSGNWDA-UHFFFAOYSA-N -1 3 387.389 3.019 20 0 GGADHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151591977 564928355 /nfs/dbraw/zinc/92/83/55/564928355.db2.gz LMTMIIFPLCHCGV-GFCCVEGCSA-N -1 3 397.313 3.246 20 0 GGADHM O=C(CCc1nc(-c2ccoc2)no1)NCc1ccc([O-])c(Br)c1 ZINC000151612553 564929008 /nfs/dbraw/zinc/92/90/08/564929008.db2.gz LZAAQNDDLHVIQO-UHFFFAOYSA-N -1 3 392.209 3.047 20 0 GGADHM Cc1noc(C)c1CSCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151598467 564929030 /nfs/dbraw/zinc/92/90/30/564929030.db2.gz WAMWZHYJCNLFCM-UHFFFAOYSA-N -1 3 385.283 3.309 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)NC(=O)CS2 ZINC000151600535 564929047 /nfs/dbraw/zinc/92/90/47/564929047.db2.gz SEXSCMWRAFBIES-UHFFFAOYSA-N -1 3 393.262 3.129 20 0 GGADHM Cc1onc(-c2ccncc2)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151615129 564929089 /nfs/dbraw/zinc/92/90/89/564929089.db2.gz SNVZABYLMSWMBF-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151608124 564929256 /nfs/dbraw/zinc/92/92/56/564929256.db2.gz ZIHGHBHVZOVDHM-UHFFFAOYSA-N -1 3 388.212 3.222 20 0 GGADHM CC(=O)c1cccc(OCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151618463 564930400 /nfs/dbraw/zinc/93/04/00/564930400.db2.gz JPUVXUQHNMXNAG-UHFFFAOYSA-N -1 3 378.222 3.053 20 0 GGADHM O=C(CSc1ccc(Cl)cc1)NCCCNC(=O)c1cccc([O-])c1 ZINC000102471588 564930378 /nfs/dbraw/zinc/93/03/78/564930378.db2.gz CTPHLANYJNCJQX-UHFFFAOYSA-N -1 3 378.881 3.074 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c([nH]c1=O)CCCCC2 ZINC000151647933 564931013 /nfs/dbraw/zinc/93/10/13/564931013.db2.gz MPRMXSQWEHRLRZ-UHFFFAOYSA-N -1 3 391.265 3.042 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(C(F)(F)F)nc1 ZINC000151637963 564931112 /nfs/dbraw/zinc/93/11/12/564931112.db2.gz PEGXQJPAXPIGTI-UHFFFAOYSA-N -1 3 375.144 3.499 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(F)cc3Br)cc12 ZINC000102631761 564932000 /nfs/dbraw/zinc/93/20/00/564932000.db2.gz ZUERJRUPEQIOEE-UHFFFAOYSA-N -1 3 386.202 3.234 20 0 GGADHM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000102751240 564933995 /nfs/dbraw/zinc/93/39/95/564933995.db2.gz WAIJNJFNJQMACT-GFCCVEGCSA-N -1 3 387.299 3.185 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000102748363 564934152 /nfs/dbraw/zinc/93/41/52/564934152.db2.gz LHRLPWJADTZPGU-UHFFFAOYSA-N -1 3 377.315 3.432 20 0 GGADHM COCc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)cs1 ZINC000102752755 564935042 /nfs/dbraw/zinc/93/50/42/564935042.db2.gz KVKADKTZSHFBAC-UHFFFAOYSA-N -1 3 394.254 3.089 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000151792542 564936558 /nfs/dbraw/zinc/93/65/58/564936558.db2.gz IUJMVSSXZUQJLR-BETUJISGSA-N -1 3 395.352 3.161 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000102823570 564937447 /nfs/dbraw/zinc/93/74/47/564937447.db2.gz XFSRYYWVXPTFTL-HUUCEWRRSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000102823570 564937451 /nfs/dbraw/zinc/93/74/51/564937451.db2.gz XFSRYYWVXPTFTL-HUUCEWRRSA-N -1 3 384.237 3.371 20 0 GGADHM CNC(=O)c1sc2[n-]c(Cc3ccccc3Br)nc(=O)c2c1C ZINC000102943031 564939730 /nfs/dbraw/zinc/93/97/30/564939730.db2.gz RNDMCIPZNABFIS-UHFFFAOYSA-N -1 3 392.278 3.006 20 0 GGADHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C(F)(F)F)cc1Cl ZINC000151931684 564941729 /nfs/dbraw/zinc/94/17/29/564941729.db2.gz NOLFJNUVYTZFOR-DZGCQCFKSA-N -1 3 391.798 3.295 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccco1 ZINC000103152301 564943638 /nfs/dbraw/zinc/94/36/38/564943638.db2.gz DWMGPZVNKHKPHB-LBPRGKRZSA-N -1 3 380.363 3.019 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccs1 ZINC000103161453 564943694 /nfs/dbraw/zinc/94/36/94/564943694.db2.gz RPMPMXNBVQNUHT-GFCCVEGCSA-N -1 3 387.324 3.068 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)nc1)c1cc(F)ccc1Cl ZINC000103154779 564943845 /nfs/dbraw/zinc/94/38/45/564943845.db2.gz SMDPOLDJPXXRKP-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM COc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cc(OC)c1 ZINC000152054427 564945974 /nfs/dbraw/zinc/94/59/74/564945974.db2.gz BCQPYYHRQXHIIP-UHFFFAOYSA-N -1 3 381.226 3.494 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(F)c(I)c1 ZINC000152085074 564946972 /nfs/dbraw/zinc/94/69/72/564946972.db2.gz CKKMEPJDDOMPDO-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(F)c(I)c1 ZINC000152085074 564946975 /nfs/dbraw/zinc/94/69/75/564946975.db2.gz CKKMEPJDDOMPDO-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(F)c(I)c1 ZINC000152085074 564946980 /nfs/dbraw/zinc/94/69/80/564946980.db2.gz CKKMEPJDDOMPDO-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM CCc1noc(CC)c1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000152125123 564947563 /nfs/dbraw/zinc/94/75/63/564947563.db2.gz RXPSMYCFSGADFZ-UHFFFAOYSA-N -1 3 382.258 3.267 20 0 GGADHM CN(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000103436815 564948093 /nfs/dbraw/zinc/94/80/93/564948093.db2.gz WJAYVHGCTOWGKI-UHFFFAOYSA-N -1 3 388.823 3.478 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)s2)sc1C ZINC000152181918 564949502 /nfs/dbraw/zinc/94/95/02/564949502.db2.gz WXZYBOFUEXBZFC-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000103498759 564949704 /nfs/dbraw/zinc/94/97/04/564949704.db2.gz NPXALKQQJVDFNF-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000103498708 564949732 /nfs/dbraw/zinc/94/97/32/564949732.db2.gz SJHVTNBGEUUHSN-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccco1 ZINC000104106793 564953156 /nfs/dbraw/zinc/95/31/56/564953156.db2.gz YJSFXUDJVZYVHL-CQSZACIVSA-N -1 3 377.293 3.309 20 0 GGADHM COC(=O)Cc1csc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)n1 ZINC000104313572 564953683 /nfs/dbraw/zinc/95/36/83/564953683.db2.gz MLIOMHKRRBWHPC-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)Cc1csc(NC(=O)c2cn[n-]c2-c2ccc(Cl)cc2)n1 ZINC000104313572 564953686 /nfs/dbraw/zinc/95/36/86/564953686.db2.gz MLIOMHKRRBWHPC-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000104254299 564953968 /nfs/dbraw/zinc/95/39/68/564953968.db2.gz LDHVFDAAWJASHI-UHFFFAOYSA-N -1 3 377.238 3.499 20 0 GGADHM C[C@@H]1Oc2c(cccc2C(=O)Nc2ccc(Br)cc2[O-])NC1=O ZINC000104254329 564954125 /nfs/dbraw/zinc/95/41/25/564954125.db2.gz SITIOHACFCQSOO-QMMMGPOBSA-N -1 3 377.194 3.126 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000152313687 564954191 /nfs/dbraw/zinc/95/41/91/564954191.db2.gz WEFKIVKBTXRHJF-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000152314354 564954323 /nfs/dbraw/zinc/95/43/23/564954323.db2.gz HHJOJDJLDAXJQH-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)cc1Cl ZINC000104734276 564958109 /nfs/dbraw/zinc/95/81/09/564958109.db2.gz QSLPVNABUVRULJ-CYBMUJFWSA-N -1 3 386.832 3.386 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2cccc(F)c2)cc1Cl ZINC000104733533 564958139 /nfs/dbraw/zinc/95/81/39/564958139.db2.gz JMSSHPICYWGHQL-UHFFFAOYSA-N -1 3 388.823 3.098 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2cccc(C)c2)cc1Cl ZINC000104739667 564959400 /nfs/dbraw/zinc/95/94/00/564959400.db2.gz PDAGDSAPFGBAFJ-UHFFFAOYSA-N -1 3 384.860 3.267 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)cc1OC ZINC000104756228 564959513 /nfs/dbraw/zinc/95/95/13/564959513.db2.gz KFNNECZCRQUWDB-UHFFFAOYSA-N -1 3 388.486 3.075 20 0 GGADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc(OC)c1[O-] ZINC000152762121 564970537 /nfs/dbraw/zinc/97/05/37/564970537.db2.gz RTFFMQMXHUVFKH-GXTWGEPZSA-N -1 3 392.249 3.458 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CCCCC2)c(Br)c1 ZINC000105799339 564973709 /nfs/dbraw/zinc/97/37/09/564973709.db2.gz RDMZQZDTHGSOJW-UHFFFAOYSA-N -1 3 390.299 3.237 20 0 GGADHM Cc1nc(CCNC(=O)NCc2ccc([O-])c(Br)c2)sc1C ZINC000152869795 564975463 /nfs/dbraw/zinc/97/54/63/564975463.db2.gz CYNAIEGTYCMOGO-UHFFFAOYSA-N -1 3 384.299 3.270 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000152980620 564979503 /nfs/dbraw/zinc/97/95/03/564979503.db2.gz RLURQCNWORVPSS-BXUZGUMPSA-N -1 3 399.431 3.178 20 0 GGADHM CC(C)(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000152978916 564979922 /nfs/dbraw/zinc/97/99/22/564979922.db2.gz YWIFYDACVYMHJG-UHFFFAOYSA-N -1 3 378.947 3.012 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1C(F)(F)F ZINC000152972304 564980039 /nfs/dbraw/zinc/98/00/39/564980039.db2.gz NSARWISODOLRDU-SMDDNHRTSA-N -1 3 381.441 3.038 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1ccc(Cl)c(Cl)c1 ZINC000106185903 564980221 /nfs/dbraw/zinc/98/02/21/564980221.db2.gz XXFBOOJSXVUNTD-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000153000306 564980381 /nfs/dbraw/zinc/98/03/81/564980381.db2.gz LTEVFKZVZZFNPG-OCCSQVGLSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1Cl ZINC000152986185 564980670 /nfs/dbraw/zinc/98/06/70/564980670.db2.gz WNRBFRWRLKWKLA-BXUZGUMPSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000152995374 564980680 /nfs/dbraw/zinc/98/06/80/564980680.db2.gz WOCLRZUNPNCBSG-FZMZJTMJSA-N -1 3 399.431 3.178 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000153000073 564980691 /nfs/dbraw/zinc/98/06/91/564980691.db2.gz LTEVFKZVZZFNPG-TZMCWYRMSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000153000409 564980879 /nfs/dbraw/zinc/98/08/79/564980879.db2.gz LTEVFKZVZZFNPG-JSGCOSHPSA-N -1 3 382.334 3.326 20 0 GGADHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Br)cc1[O-] ZINC000106741425 564988661 /nfs/dbraw/zinc/98/86/61/564988661.db2.gz LAVQWFOIUHLCTA-UHFFFAOYSA-N -1 3 390.237 3.286 20 0 GGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000106892822 564990962 /nfs/dbraw/zinc/99/09/62/564990962.db2.gz FQJBQYFAORURLV-UHFFFAOYSA-N -1 3 399.818 3.369 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)s1 ZINC000106893388 564991024 /nfs/dbraw/zinc/99/10/24/564991024.db2.gz HIWAZEMCXRHFTK-SECBINFHSA-N -1 3 388.536 3.328 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccn(-c2cccc(Br)c2)n1 ZINC000106904200 564991512 /nfs/dbraw/zinc/99/15/12/564991512.db2.gz NNLMSXKKLWKBKP-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccn(-c2cccc(Br)c2)n1 ZINC000106904200 564991516 /nfs/dbraw/zinc/99/15/16/564991516.db2.gz NNLMSXKKLWKBKP-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccn(-c2cccc(Br)c2)n1 ZINC000106904200 564991517 /nfs/dbraw/zinc/99/15/17/564991517.db2.gz NNLMSXKKLWKBKP-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1cccc(O)c1 ZINC000153333986 564991833 /nfs/dbraw/zinc/99/18/33/564991833.db2.gz GLRORJLLGBVLOZ-SNVBAGLBSA-N -1 3 387.233 3.487 20 0 GGADHM CC(C)c1[nH]nc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1Br ZINC000106910134 564991968 /nfs/dbraw/zinc/99/19/68/564991968.db2.gz KQFICNSAAAXFLA-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM COc1cccc(Cc2nnc([N-]C(=O)c3c(C)nn(C)c3Cl)s2)c1 ZINC000107177895 564996170 /nfs/dbraw/zinc/99/61/70/564996170.db2.gz GJTVTLDBYYRYCY-UHFFFAOYSA-N -1 3 377.857 3.085 20 0 GGADHM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153469450 564996516 /nfs/dbraw/zinc/99/65/16/564996516.db2.gz SOZPMRMPOIXGKC-UHFFFAOYSA-N -1 3 382.869 3.328 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000107228358 564996915 /nfs/dbraw/zinc/99/69/15/564996915.db2.gz XMGHYWDQTDENCL-UHFFFAOYSA-N -1 3 378.255 3.262 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000107228358 564996919 /nfs/dbraw/zinc/99/69/19/564996919.db2.gz XMGHYWDQTDENCL-UHFFFAOYSA-N -1 3 378.255 3.262 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000107228358 564996924 /nfs/dbraw/zinc/99/69/24/564996924.db2.gz XMGHYWDQTDENCL-UHFFFAOYSA-N -1 3 378.255 3.262 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCCCC1 ZINC000153498495 564998052 /nfs/dbraw/zinc/99/80/52/564998052.db2.gz RHMKGEXNZTUKIO-JTQLQIEISA-N -1 3 398.834 3.038 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)s1 ZINC000107309548 564998056 /nfs/dbraw/zinc/99/80/56/564998056.db2.gz QKADMQUWDMMDEH-AWEZNQCLSA-N -1 3 380.535 3.083 20 0 GGADHM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153511487 564998633 /nfs/dbraw/zinc/99/86/33/564998633.db2.gz AJQDBPPHHYACEI-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM CCCc1nnc([N-]C(=O)c2csc(I)c2)s1 ZINC000107434869 564999283 /nfs/dbraw/zinc/99/92/83/564999283.db2.gz DHHNTXGRRFSSOV-UHFFFAOYSA-N -1 3 379.248 3.409 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000107517969 565000075 /nfs/dbraw/zinc/00/00/75/565000075.db2.gz IRBIKDKDXCDYRV-OAHLLOKOSA-N -1 3 398.278 3.032 20 0 GGADHM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153572735 565001366 /nfs/dbraw/zinc/00/13/66/565001366.db2.gz NOQVYILJHGFOAU-UHFFFAOYSA-N -1 3 380.853 3.047 20 0 GGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153691966 565006271 /nfs/dbraw/zinc/00/62/71/565006271.db2.gz GUULAYXXZNQACU-VHSXEESVSA-N -1 3 380.304 3.179 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1nc(C(F)(F)F)cs1 ZINC000153720678 565008339 /nfs/dbraw/zinc/00/83/39/565008339.db2.gz NOSPNTCIDZHEIZ-VIFPVBQESA-N -1 3 382.433 3.369 20 0 GGADHM CCOC(=O)c1sc2[n-]c(-c3cncc(Br)c3)nc(=O)c2c1C ZINC000153734409 565008378 /nfs/dbraw/zinc/00/83/78/565008378.db2.gz YEHDFCMNVCMPHM-UHFFFAOYSA-N -1 3 394.250 3.294 20 0 GGADHM O=S(=O)([N-]CCCOc1ccccc1)c1ccc(F)cc1Br ZINC000108268610 565008702 /nfs/dbraw/zinc/00/87/02/565008702.db2.gz DJKMNUIFVYKRNJ-UHFFFAOYSA-N -1 3 388.258 3.336 20 0 GGADHM Cc1ccc([C@H](C)N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000153745439 565009153 /nfs/dbraw/zinc/00/91/53/565009153.db2.gz OHXJOOMWEJIDAH-LBPRGKRZSA-N -1 3 386.926 3.208 20 0 GGADHM C[C@H](c1ccccc1F)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153742714 565009376 /nfs/dbraw/zinc/00/93/76/565009376.db2.gz OYHQNCQVNYWXRI-SNVBAGLBSA-N -1 3 390.889 3.039 20 0 GGADHM Cc1cc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)s1 ZINC000153761890 565010184 /nfs/dbraw/zinc/01/01/84/565010184.db2.gz UCNNVCUEYLWEIZ-VIFPVBQESA-N -1 3 392.955 3.236 20 0 GGADHM CCNC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000108394435 565011123 /nfs/dbraw/zinc/01/11/23/565011123.db2.gz XNOBEKFIVGTFCF-UHFFFAOYSA-N -1 3 393.317 3.283 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000108650847 565015002 /nfs/dbraw/zinc/01/50/02/565015002.db2.gz BMDKOLQLKBDUPH-ZETCQYMHSA-N -1 3 390.248 3.428 20 0 GGADHM CCOc1cc(C)ccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153897152 565015841 /nfs/dbraw/zinc/01/58/41/565015841.db2.gz UCQRYIBJSZRWTB-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000153952293 565018346 /nfs/dbraw/zinc/01/83/46/565018346.db2.gz KPNBITIMDVXTFH-UHFFFAOYSA-N -1 3 378.519 3.045 20 0 GGADHM CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1ccc2n[n-]nc2c1 ZINC000154037634 565023418 /nfs/dbraw/zinc/02/34/18/565023418.db2.gz LOAXSMQITFFVNL-UHFFFAOYSA-N -1 3 380.235 3.247 20 0 GGADHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000109574527 565028283 /nfs/dbraw/zinc/02/82/83/565028283.db2.gz UFUDKLHBHOZRJP-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1c(C)nn(-c2ccccc2)c1C ZINC000154172968 565028396 /nfs/dbraw/zinc/02/83/96/565028396.db2.gz IKISEAZIHDTLOC-UHFFFAOYSA-N -1 3 377.491 3.038 20 0 GGADHM C[C@]1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCS1 ZINC000154176664 565028769 /nfs/dbraw/zinc/02/87/69/565028769.db2.gz OSVXFWKBWSLXGB-MRXNPFEDSA-N -1 3 381.295 3.306 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(F)cc1Br ZINC000154243836 565030949 /nfs/dbraw/zinc/03/09/49/565030949.db2.gz CSYZOWHNQQSJJK-APHBMKBZSA-N -1 3 382.254 3.205 20 0 GGADHM Cc1noc(C)c1[N-]C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000109730979 565031347 /nfs/dbraw/zinc/03/13/47/565031347.db2.gz NRGINRTVCJRAJF-UHFFFAOYSA-N -1 3 376.214 3.195 20 0 GGADHM CCCn1ccc2cc(NC(=O)C[N-]S(=O)(=O)c3cccs3)ccc21 ZINC000109784427 565031406 /nfs/dbraw/zinc/03/14/06/565031406.db2.gz WNVJINVBKFLJSI-UHFFFAOYSA-N -1 3 377.491 3.030 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000154288862 565032552 /nfs/dbraw/zinc/03/25/52/565032552.db2.gz OEOVPVOMDGZVMV-UHFFFAOYSA-N -1 3 386.470 3.168 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(Br)c(Cl)c1 ZINC000154402777 565037880 /nfs/dbraw/zinc/03/78/80/565037880.db2.gz UBJXAZOFWBBFLT-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc2)cs1 ZINC000154413112 565038204 /nfs/dbraw/zinc/03/82/04/565038204.db2.gz UUDKLRIPMLBJCU-HNNXBMFYSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1ncncc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000110415506 565040134 /nfs/dbraw/zinc/04/01/34/565040134.db2.gz ICPFHKFHYWQFCA-UHFFFAOYSA-N -1 3 376.239 3.318 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@H]1C ZINC000110462716 565040632 /nfs/dbraw/zinc/04/06/32/565040632.db2.gz GHZYZWRCHUTESF-MNOVXSKESA-N -1 3 379.309 3.061 20 0 GGADHM Cc1cc(C)cc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000154483376 565041042 /nfs/dbraw/zinc/04/10/42/565041042.db2.gz SBMXTHDMNQWLQR-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cc(Cl)cn2C)c(F)cc1F ZINC000110688600 565043764 /nfs/dbraw/zinc/04/37/64/565043764.db2.gz IEKJPDBYDZDKCQ-UHFFFAOYSA-N -1 3 391.827 3.361 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000110711829 565044217 /nfs/dbraw/zinc/04/42/17/565044217.db2.gz WOUOAJSDALHRHF-VXGBXAGGSA-N -1 3 393.336 3.451 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000154625817 565047487 /nfs/dbraw/zinc/04/74/87/565047487.db2.gz PBDORORBMDDABH-NSHDSACASA-N -1 3 380.491 3.145 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000154691057 565049086 /nfs/dbraw/zinc/04/90/86/565049086.db2.gz HEGWPSDYLYBYMP-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM Cc1cccc(C)c1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000154697357 565049697 /nfs/dbraw/zinc/04/96/97/565049697.db2.gz WIFHVQPTVZDCRD-UHFFFAOYSA-N -1 3 387.914 3.118 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000111158302 565051391 /nfs/dbraw/zinc/05/13/91/565051391.db2.gz SXZARWOGKRUXLK-UONOGXRCSA-N -1 3 398.937 3.132 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1ccccc1Cl ZINC000111347923 565053420 /nfs/dbraw/zinc/05/34/20/565053420.db2.gz OMEBCUHGRYPNRL-JTQLQIEISA-N -1 3 391.301 3.139 20 0 GGADHM COc1cc(/C=C/C(=O)NOCCC(F)(F)F)cc(Br)c1[O-] ZINC000154951288 565057676 /nfs/dbraw/zinc/05/76/76/565057676.db2.gz XMBLBRIYANPBGO-NSCUHMNNSA-N -1 3 384.148 3.177 20 0 GGADHM COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000155016301 565059596 /nfs/dbraw/zinc/05/95/96/565059596.db2.gz LWWQVHIQHGSQTQ-INIZCTEOSA-N -1 3 392.249 3.449 20 0 GGADHM COc1c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c(C)nn1C ZINC000112275460 565061550 /nfs/dbraw/zinc/06/15/50/565061550.db2.gz KPNFEMLITWFNSY-UHFFFAOYSA-N -1 3 375.479 3.133 20 0 GGADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000112286056 565061923 /nfs/dbraw/zinc/06/19/23/565061923.db2.gz ZRLGBMIMVPPQDP-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000112286056 565061925 /nfs/dbraw/zinc/06/19/25/565061925.db2.gz ZRLGBMIMVPPQDP-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000112286056 565061926 /nfs/dbraw/zinc/06/19/26/565061926.db2.gz ZRLGBMIMVPPQDP-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000112361282 565063097 /nfs/dbraw/zinc/06/30/97/565063097.db2.gz XYJSIMRCYVQXSU-LLVKDONJSA-N -1 3 382.869 3.347 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000112361643 565063233 /nfs/dbraw/zinc/06/32/33/565063233.db2.gz KJTPAGDCXLYIGG-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000155176821 565063830 /nfs/dbraw/zinc/06/38/30/565063830.db2.gz VQQIYZYFWNJZPR-JTQLQIEISA-N -1 3 388.898 3.106 20 0 GGADHM O=C(NCCc1ccccc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112626449 565064928 /nfs/dbraw/zinc/06/49/28/565064928.db2.gz CRPTVVUNSZYHHG-UHFFFAOYSA-N -1 3 389.224 3.402 20 0 GGADHM O=C(NCCc1cccc(F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112626864 565065101 /nfs/dbraw/zinc/06/51/01/565065101.db2.gz CLFRYBUGKMKKFB-UHFFFAOYSA-N -1 3 389.224 3.402 20 0 GGADHM COc1ccccc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112625741 565065109 /nfs/dbraw/zinc/06/51/09/565065109.db2.gz OSZBBMUIXBHJLJ-UHFFFAOYSA-N -1 3 387.233 3.229 20 0 GGADHM COc1cccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000112625916 565065114 /nfs/dbraw/zinc/06/51/14/565065114.db2.gz XRHRRHXZKKOHRA-UHFFFAOYSA-N -1 3 387.233 3.229 20 0 GGADHM C[C@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155269662 565065428 /nfs/dbraw/zinc/06/54/28/565065428.db2.gz COJBQCGIMWLUSD-NRYVIMAVSA-N -1 3 377.388 3.496 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCNc2cccc(C)n2)c(Cl)c1Cl ZINC000155260314 565065474 /nfs/dbraw/zinc/06/54/74/565065474.db2.gz XDHVKRYRVHAKFS-UHFFFAOYSA-N -1 3 390.292 3.096 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCCC2)s1 ZINC000112707240 565065592 /nfs/dbraw/zinc/06/55/92/565065592.db2.gz KVNZOXJVKFUOQH-UHFFFAOYSA-N -1 3 386.520 3.047 20 0 GGADHM CCO[C@@H](C)c1nc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155293166 565065805 /nfs/dbraw/zinc/06/58/05/565065805.db2.gz VDBWTOIDFLXGJU-SRENCEJNSA-N -1 3 395.428 3.204 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2csc(-c3ccoc3)n2)[n-]1 ZINC000155347893 565066546 /nfs/dbraw/zinc/06/65/46/565066546.db2.gz QEPMNSLYWIFTGZ-RUZDIDTESA-N -1 3 389.380 3.366 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155461217 565067882 /nfs/dbraw/zinc/06/78/82/565067882.db2.gz RFKFHDFZUGZZME-UFBFGSQYSA-N -1 3 397.722 3.005 20 0 GGADHM CCc1ccc([C@@H](C)CC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1 ZINC000155511013 565068335 /nfs/dbraw/zinc/06/83/35/565068335.db2.gz JHAFUUSPUQAPMW-ZDUSSCGKSA-N -1 3 380.535 3.029 20 0 GGADHM O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1[O-] ZINC000155496129 565068525 /nfs/dbraw/zinc/06/85/25/565068525.db2.gz UYLWNXXIDZVTRR-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)C[N-]S(=O)(=O)CCC(C)(C)C ZINC000113286229 565069040 /nfs/dbraw/zinc/06/90/40/565069040.db2.gz WIHYRGITWHXWDT-UHFFFAOYSA-N -1 3 391.331 3.052 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1 ZINC000113292501 565069136 /nfs/dbraw/zinc/06/91/36/565069136.db2.gz AVTFGCAATYYFEN-LLVKDONJSA-N -1 3 387.288 3.440 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccccc2Cl)no1)c1ccccc1F ZINC000113734316 565070966 /nfs/dbraw/zinc/07/09/66/565070966.db2.gz ZFUOXOIUPVUABD-UHFFFAOYSA-N -1 3 381.816 3.050 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000155760864 565071209 /nfs/dbraw/zinc/07/12/09/565071209.db2.gz JOLUSVGICNEIEO-AMFBXLIHSA-N -1 3 392.304 3.238 20 0 GGADHM CCc1[nH]nc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1Br ZINC000155766385 565071249 /nfs/dbraw/zinc/07/12/49/565071249.db2.gz COVADFGMZHZLIS-UHFFFAOYSA-N -1 3 393.216 3.276 20 0 GGADHM CCOC[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000113909920 565071504 /nfs/dbraw/zinc/07/15/04/565071504.db2.gz QCSJZIXMCWGEOY-GFCCVEGCSA-N -1 3 393.281 3.179 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)cc1Cl ZINC000113947090 565071772 /nfs/dbraw/zinc/07/17/72/565071772.db2.gz VEAUEKUHHNLRCD-QMMMGPOBSA-N -1 3 389.836 3.082 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000114115577 565072154 /nfs/dbraw/zinc/07/21/54/565072154.db2.gz NWBXPSVPWPXKRE-BZNIZROVSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000114113685 565072215 /nfs/dbraw/zinc/07/22/15/565072215.db2.gz IHQAVOOGTYQMIU-SWLSCSKDSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000114113679 565072262 /nfs/dbraw/zinc/07/22/62/565072262.db2.gz IHQAVOOGTYQMIU-DOMZBBRYSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000114117507 565072411 /nfs/dbraw/zinc/07/24/11/565072411.db2.gz YQPYQMKZQJYDMK-ABAIWWIYSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000114225281 565072864 /nfs/dbraw/zinc/07/28/64/565072864.db2.gz WHMZPPJNHGUAQD-ZBEGNZNMSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000114225755 565072910 /nfs/dbraw/zinc/07/29/10/565072910.db2.gz SUGPNIDANSCPMK-TVQRCGJNSA-N -1 3 387.552 3.082 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)s1 ZINC000114225289 565072978 /nfs/dbraw/zinc/07/29/78/565072978.db2.gz YCHYZUSPGMXAMY-UHFFFAOYSA-N -1 3 379.381 3.453 20 0 GGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155960054 565073169 /nfs/dbraw/zinc/07/31/69/565073169.db2.gz FNBVONYAJXISMT-NSHDSACASA-N -1 3 378.347 3.406 20 0 GGADHM CCCOc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)[C@H](C)CC)cc1Cl ZINC000114243478 565073249 /nfs/dbraw/zinc/07/32/49/565073249.db2.gz VQPOCMNQAXPPHC-ABAIWWIYSA-N -1 3 376.906 3.031 20 0 GGADHM CCCOc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)[C@@H](C)CC)cc1Cl ZINC000114243475 565073286 /nfs/dbraw/zinc/07/32/86/565073286.db2.gz VQPOCMNQAXPPHC-NHYWBVRUSA-N -1 3 376.906 3.031 20 0 GGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CCCc2ccc(Cl)cc2)[n-]1 ZINC000156011848 565073675 /nfs/dbraw/zinc/07/36/75/565073675.db2.gz JOSBQIAFQADGHZ-UHFFFAOYSA-N -1 3 394.802 3.402 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000155999095 565073709 /nfs/dbraw/zinc/07/37/09/565073709.db2.gz JRWOCORQXWHZLR-UHFFFAOYSA-N -1 3 378.372 3.177 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)o1 ZINC000156011985 565073721 /nfs/dbraw/zinc/07/37/21/565073721.db2.gz LXVVMBXTFZFAKI-GFCCVEGCSA-N -1 3 383.857 3.038 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)COc3ccccc3Br)[n-]2)o1 ZINC000156011422 565073781 /nfs/dbraw/zinc/07/37/81/565073781.db2.gz CDLAFCLDYMTHBB-UHFFFAOYSA-N -1 3 377.198 3.153 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccccc3Br)n2)o1 ZINC000156011422 565073782 /nfs/dbraw/zinc/07/37/82/565073782.db2.gz CDLAFCLDYMTHBB-UHFFFAOYSA-N -1 3 377.198 3.153 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)COc3ccccc3Br)n[n-]2)o1 ZINC000156011422 565073783 /nfs/dbraw/zinc/07/37/83/565073783.db2.gz CDLAFCLDYMTHBB-UHFFFAOYSA-N -1 3 377.198 3.153 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000156038572 565074318 /nfs/dbraw/zinc/07/43/18/565074318.db2.gz XFWBGYIHWMUIQZ-UHFFFAOYSA-N -1 3 387.299 3.349 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000114426675 565074403 /nfs/dbraw/zinc/07/44/03/565074403.db2.gz OHOUMIRYSWBJTP-AWEZNQCLSA-N -1 3 398.937 3.216 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000114426673 565074405 /nfs/dbraw/zinc/07/44/05/565074405.db2.gz OHOUMIRYSWBJTP-CQSZACIVSA-N -1 3 398.937 3.216 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000156067206 565074473 /nfs/dbraw/zinc/07/44/73/565074473.db2.gz NHKOXNQKQCFXJV-UHFFFAOYSA-N -1 3 389.249 3.312 20 0 GGADHM O=c1nc(Cn2cc(Br)cn2)[n-]c2sc3c(c21)CCCS3 ZINC000156121832 565075300 /nfs/dbraw/zinc/07/53/00/565075300.db2.gz MOQDYJXABHWBHY-UHFFFAOYSA-N -1 3 383.296 3.030 20 0 GGADHM Cn1cc([N-]C(=O)c2c(F)cc(Br)cc2F)cc(Cl)c1=O ZINC000156189650 565075613 /nfs/dbraw/zinc/07/56/13/565075613.db2.gz LRSIQDJIHOPPHU-UHFFFAOYSA-N -1 3 377.572 3.332 20 0 GGADHM CCNC(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000156244334 565075952 /nfs/dbraw/zinc/07/59/52/565075952.db2.gz YUCARVHVRFSIKK-UHFFFAOYSA-N -1 3 392.253 3.226 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000156268549 565076040 /nfs/dbraw/zinc/07/60/40/565076040.db2.gz CKOMNRFAZCDVNZ-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000156287238 565078285 /nfs/dbraw/zinc/07/82/85/565078285.db2.gz ZLNHAZCIIIOVGG-KBPBESRZSA-N -1 3 398.575 3.102 20 0 GGADHM CCSCC[C@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000266487896 565081826 /nfs/dbraw/zinc/08/18/26/565081826.db2.gz XDCOYAWGBIKXAG-LBPRGKRZSA-N -1 3 389.543 3.110 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000156348609 565081903 /nfs/dbraw/zinc/08/19/03/565081903.db2.gz RJMUNOUCQWALGC-JTQLQIEISA-N -1 3 382.707 3.338 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)c1nccs1 ZINC000183651468 565084620 /nfs/dbraw/zinc/08/46/20/565084620.db2.gz KZVNMPSQMFZFPT-ZETCQYMHSA-N -1 3 395.275 3.093 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000266569712 565085314 /nfs/dbraw/zinc/08/53/14/565085314.db2.gz RBMPAOAOMBRBIJ-UHFFFAOYSA-N -1 3 386.882 3.237 20 0 GGADHM Cc1nc([N-]C(=O)c2csc(-c3ccc(Br)s3)n2)n(C)n1 ZINC000183689623 565087213 /nfs/dbraw/zinc/08/72/13/565087213.db2.gz NCQMTLIVBOHMGV-UHFFFAOYSA-N -1 3 384.284 3.323 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000266692015 565088712 /nfs/dbraw/zinc/08/87/12/565088712.db2.gz CNAGXWWRCCSJHE-SNVBAGLBSA-N -1 3 382.433 3.369 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2sc(C)cc2Br)o1 ZINC000292001395 565090696 /nfs/dbraw/zinc/09/06/96/565090696.db2.gz UWBRGAIDVSEJQE-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM C[C@H](Sc1nnc(C2CC2)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000266801498 565091001 /nfs/dbraw/zinc/09/10/01/565091001.db2.gz CASPDRIZIUAZNK-VIFPVBQESA-N -1 3 383.520 3.151 20 0 GGADHM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156521045 565091900 /nfs/dbraw/zinc/09/19/00/565091900.db2.gz UKMBHJUJVFKIRB-KZULUSFZSA-N -1 3 378.266 3.326 20 0 GGADHM C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156520799 565092148 /nfs/dbraw/zinc/09/21/48/565092148.db2.gz UKMBHJUJVFKIRB-XIKOKIGWSA-N -1 3 378.266 3.326 20 0 GGADHM COc1ccc(OCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000156521704 565092251 /nfs/dbraw/zinc/09/22/51/565092251.db2.gz LEOIOASKNBSGSZ-UHFFFAOYSA-N -1 3 380.238 3.249 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)o1 ZINC000292040340 565094785 /nfs/dbraw/zinc/09/47/85/565094785.db2.gz ZJODUXVEBFRVDL-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000156570970 565095308 /nfs/dbraw/zinc/09/53/08/565095308.db2.gz AHUORPZAXCMFQX-QPUJVOFHSA-N -1 3 397.722 3.005 20 0 GGADHM COCCOc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1Cl ZINC000267020087 565101138 /nfs/dbraw/zinc/10/11/38/565101138.db2.gz PGRPFDHYJLQVCS-UHFFFAOYSA-N -1 3 383.857 3.143 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1ccc(Br)cc1Cl ZINC000156755410 565104157 /nfs/dbraw/zinc/10/41/57/565104157.db2.gz YGJIDVGAWGIFDS-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1nc(C)c(CCC(=O)Oc2ccc(Cl)cc2Br)c(=O)[n-]1 ZINC000183917298 565103990 /nfs/dbraw/zinc/10/39/90/565103990.db2.gz GLNSUFGBZMVSDA-UHFFFAOYSA-N -1 3 385.645 3.341 20 0 GGADHM O=C(Cc1nc(=O)c2c([n-]1)sc1c2CCSC1)c1cc(Cl)ccn1 ZINC000183954175 565107346 /nfs/dbraw/zinc/10/73/46/565107346.db2.gz YRQCLZAFWJVULD-UHFFFAOYSA-N -1 3 377.878 3.248 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000156868990 565108887 /nfs/dbraw/zinc/10/88/87/565108887.db2.gz WZBRFGHTDLZUES-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM COc1ccc(CS(=O)(=O)c2cccc([O-])c2)c(Br)c1OC ZINC000183994810 565109623 /nfs/dbraw/zinc/10/96/23/565109623.db2.gz MDWQPSGRSSXZBQ-UHFFFAOYSA-N -1 3 387.251 3.146 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1Br ZINC000156904389 565110195 /nfs/dbraw/zinc/11/01/95/565110195.db2.gz IURWXWDDGUNIJT-GFCCVEGCSA-N -1 3 392.290 3.358 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000156904305 565110708 /nfs/dbraw/zinc/11/07/08/565110708.db2.gz YLQORDWTQYGDBL-MRXNPFEDSA-N -1 3 379.243 3.163 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000156982250 565114828 /nfs/dbraw/zinc/11/48/28/565114828.db2.gz GJEFJOONASCTRV-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM Cc1ccccc1-c1csc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)n1 ZINC000157077203 565118639 /nfs/dbraw/zinc/11/86/39/565118639.db2.gz FWLHUPMHHWPNFH-AWEZNQCLSA-N -1 3 381.523 3.021 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Br)cc1 ZINC000292508221 565119819 /nfs/dbraw/zinc/11/98/19/565119819.db2.gz KJPKVQVVQVTVPH-UHFFFAOYSA-N -1 3 385.283 3.142 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000157127795 565120249 /nfs/dbraw/zinc/12/02/49/565120249.db2.gz UVASKGVFNUYMQU-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM CCS(=O)(=O)c1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000184228516 565120295 /nfs/dbraw/zinc/12/02/95/565120295.db2.gz AIGICNKHUHGKLK-UHFFFAOYSA-N -1 3 398.278 3.130 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000157153758 565121181 /nfs/dbraw/zinc/12/11/81/565121181.db2.gz IJRFAQHZBLNMPP-MRXNPFEDSA-N -1 3 380.535 3.181 20 0 GGADHM O=C(NCc1nc(C2CC2)cs1)NCc1ccc([O-])c(Br)c1 ZINC000157172915 565121527 /nfs/dbraw/zinc/12/15/27/565121527.db2.gz VSXQSGHFEVGHFW-UHFFFAOYSA-N -1 3 382.283 3.488 20 0 GGADHM COc1cc(/C=C/C(=O)Nc2cc(C3CC3)n(C)n2)cc(Br)c1[O-] ZINC000292574708 565123227 /nfs/dbraw/zinc/12/32/27/565123227.db2.gz GBSQSKLCIVJEBJ-ZZXKWVIFSA-N -1 3 392.253 3.426 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000157233056 565123825 /nfs/dbraw/zinc/12/38/25/565123825.db2.gz OAWYIIMLBSNGDS-OAHLLOKOSA-N -1 3 383.466 3.494 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc2cc(Br)ccc2[nH]1 ZINC000184271639 565123956 /nfs/dbraw/zinc/12/39/56/565123956.db2.gz ZIDHOXBHZFKWPE-UHFFFAOYSA-N -1 3 384.255 3.014 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000157224786 565124117 /nfs/dbraw/zinc/12/41/17/565124117.db2.gz TYADFAJAJWAJTG-CYBMUJFWSA-N -1 3 394.499 3.059 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cs1 ZINC000267602872 565125114 /nfs/dbraw/zinc/12/51/14/565125114.db2.gz FJZNDGOCGCTPGC-MRVPVSSYSA-N -1 3 398.403 3.487 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cs1 ZINC000267640240 565126283 /nfs/dbraw/zinc/12/62/83/565126283.db2.gz QRMRGQADQIEDOS-SECBINFHSA-N -1 3 380.413 3.348 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)cs1 ZINC000267670013 565127881 /nfs/dbraw/zinc/12/78/81/565127881.db2.gz ZCCYGOOOBYYJIS-SSDOTTSWSA-N -1 3 397.341 3.153 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)CC2)s1 ZINC000184326378 565129382 /nfs/dbraw/zinc/12/93/82/565129382.db2.gz ZDLCROWGSWGWCE-HOTGVXAUSA-N -1 3 386.583 3.310 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000157351761 565129465 /nfs/dbraw/zinc/12/94/65/565129465.db2.gz JLEMBJJPQPJYAN-GXTWGEPZSA-N -1 3 383.828 3.100 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1c(Cl)cccc1Cl ZINC000157399590 565130664 /nfs/dbraw/zinc/13/06/64/565130664.db2.gz CDOXVKINOSNAKW-JTQLQIEISA-N -1 3 390.267 3.085 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3cc(C)ccc3n2C)c1 ZINC000184355578 565130900 /nfs/dbraw/zinc/13/09/00/565130900.db2.gz FHONOLJXNDAKMF-UHFFFAOYSA-N -1 3 379.869 3.022 20 0 GGADHM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000267808683 565131571 /nfs/dbraw/zinc/13/15/71/565131571.db2.gz MLTHHEYNQASRNG-DEOSSOPVSA-N -1 3 379.503 3.079 20 0 GGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000157553160 565136129 /nfs/dbraw/zinc/13/61/29/565136129.db2.gz YEUKKCRKARUVLR-SNVBAGLBSA-N -1 3 389.315 3.047 20 0 GGADHM O=C1CCCc2ccc(S(=O)(=O)[N-][C@@H](c3nccs3)C(F)(F)F)cc21 ZINC000292839516 565137279 /nfs/dbraw/zinc/13/72/79/565137279.db2.gz PNOMTNCWXGNOMV-ZDUSSCGKSA-N -1 3 390.408 3.244 20 0 GGADHM CCc1ncsc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000157656122 565139859 /nfs/dbraw/zinc/13/98/59/565139859.db2.gz LSIGSTFRLGZRCZ-UHFFFAOYSA-N -1 3 385.486 3.174 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)COc1ncc(Cl)cc1Cl ZINC000157744023 565142695 /nfs/dbraw/zinc/14/26/95/565142695.db2.gz WSZGXBLCMQTCRI-UHFFFAOYSA-N -1 3 394.280 3.129 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1ccccc1[O-])c1ccc(Br)cc1 ZINC000157757029 565143865 /nfs/dbraw/zinc/14/38/65/565143865.db2.gz RHVCYCWYUPVHIS-HNNXBMFYSA-N -1 3 377.238 3.361 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccnc1 ZINC000292988251 565144168 /nfs/dbraw/zinc/14/41/68/565144168.db2.gz FTZSWMGTXDINKA-HNNXBMFYSA-N -1 3 389.304 3.427 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000268216982 565144733 /nfs/dbraw/zinc/14/47/33/565144733.db2.gz RSXHPOOEPOIDPQ-UHFFFAOYSA-N -1 3 390.328 3.077 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184612043 565147808 /nfs/dbraw/zinc/14/78/08/565147808.db2.gz LDJMUHOIXWXNJK-UHFFFAOYSA-N -1 3 398.815 3.337 20 0 GGADHM O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccccc1[O-] ZINC000157915504 565148862 /nfs/dbraw/zinc/14/88/62/565148862.db2.gz QWTBNBVVOPJZKO-UHFFFAOYSA-N -1 3 378.226 3.305 20 0 GGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)n1 ZINC000293117076 565150844 /nfs/dbraw/zinc/15/08/44/565150844.db2.gz OXTYPXLMEXTISB-UHFFFAOYSA-N -1 3 380.857 3.102 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)s1 ZINC000293095312 565151250 /nfs/dbraw/zinc/15/12/50/565151250.db2.gz NNDKRJOGGGGMHF-VIFPVBQESA-N -1 3 382.898 3.396 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)SC)cc1Cl ZINC000157972479 565151644 /nfs/dbraw/zinc/15/16/44/565151644.db2.gz CYPYBRWMYMRRQC-SSDOTTSWSA-N -1 3 388.736 3.141 20 0 GGADHM COCc1nc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n[n-]1 ZINC000268451199 565152193 /nfs/dbraw/zinc/15/21/93/565152193.db2.gz ASZDVGAADUVUIL-QMMMGPOBSA-N -1 3 375.281 3.227 20 0 GGADHM COCc1nc(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[n-]1 ZINC000268451195 565152535 /nfs/dbraw/zinc/15/25/35/565152535.db2.gz ASZDVGAADUVUIL-MRVPVSSYSA-N -1 3 375.281 3.227 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1F)c1cccc(I)c1 ZINC000157992196 565152644 /nfs/dbraw/zinc/15/26/44/565152644.db2.gz YDLWGTCNOYBNJN-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC2(CCC2)C1 ZINC000157997032 565153116 /nfs/dbraw/zinc/15/31/16/565153116.db2.gz RGSGDDRQJXUZPQ-UHFFFAOYSA-N -1 3 391.320 3.064 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000184733133 565154019 /nfs/dbraw/zinc/15/40/19/565154019.db2.gz KDXHXANKVZZXRT-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM COCc1nc(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)n[n-]1 ZINC000268490533 565155222 /nfs/dbraw/zinc/15/52/22/565155222.db2.gz OFHSONQGPSTHNJ-VIFPVBQESA-N -1 3 385.287 3.141 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1 ZINC000293218196 565157524 /nfs/dbraw/zinc/15/75/24/565157524.db2.gz VJCNZWHXZFEDRE-OAHLLOKOSA-N -1 3 389.304 3.427 20 0 GGADHM Cc1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c(Br)s1 ZINC000268531618 565157626 /nfs/dbraw/zinc/15/76/26/565157626.db2.gz DKZWFLWEWYURFL-UHFFFAOYSA-N -1 3 397.294 3.075 20 0 GGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000158255991 565163042 /nfs/dbraw/zinc/16/30/42/565163042.db2.gz JCTJASCQNCJENB-OAHLLOKOSA-N -1 3 395.257 3.274 20 0 GGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000184898271 565165159 /nfs/dbraw/zinc/16/51/59/565165159.db2.gz WOSBDLSFVBMYRK-UHFFFAOYSA-N -1 3 376.865 3.285 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)sc1Br ZINC000184908222 565165248 /nfs/dbraw/zinc/16/52/48/565165248.db2.gz TVKFXLFNNLEMCE-UHFFFAOYSA-N -1 3 387.324 3.224 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1O ZINC000158393828 565168406 /nfs/dbraw/zinc/16/84/06/565168406.db2.gz TYCNQSCYTHDVSW-UHFFFAOYSA-N -1 3 376.261 3.229 20 0 GGADHM Cn1ncc(I)c1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000293443463 565168710 /nfs/dbraw/zinc/16/87/10/565168710.db2.gz RVEIIFFLITUSHO-UHFFFAOYSA-N -1 3 399.232 3.280 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O ZINC000158389582 565168923 /nfs/dbraw/zinc/16/89/23/565168923.db2.gz SPSRQEPZLPPKKE-UHFFFAOYSA-N -1 3 376.261 3.229 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)sc1C ZINC000184999641 565170344 /nfs/dbraw/zinc/17/03/44/565170344.db2.gz BCKNDZLALWIWNG-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000268910167 565171717 /nfs/dbraw/zinc/17/17/17/565171717.db2.gz MUFHNJRQDRPNAH-AWEZNQCLSA-N -1 3 392.253 3.132 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000268910171 565172024 /nfs/dbraw/zinc/17/20/24/565172024.db2.gz MUFHNJRQDRPNAH-CQSZACIVSA-N -1 3 392.253 3.132 20 0 GGADHM COc1ccc([C@@H](CCO)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000158571636 565174046 /nfs/dbraw/zinc/17/40/46/565174046.db2.gz BUDQAVZLWUXQQZ-LLVKDONJSA-N -1 3 396.317 3.466 20 0 GGADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1n[nH]c(C2CC2)c1Br ZINC000268999768 565174135 /nfs/dbraw/zinc/17/41/35/565174135.db2.gz QMPKKJIKGGUWFS-UHFFFAOYSA-N -1 3 396.192 3.258 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCC1CCN(CC(F)(F)F)CC1 ZINC000185046388 565174259 /nfs/dbraw/zinc/17/42/59/565174259.db2.gz QZGPQCRUCIFWFU-UHFFFAOYSA-N -1 3 382.423 3.077 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000158681897 565177957 /nfs/dbraw/zinc/17/79/57/565177957.db2.gz ZGQXXLFNGYTAMR-UHFFFAOYSA-N -1 3 396.877 3.215 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)CC[C@@H]2CCOC2)oc1-c1ccc(Cl)cc1 ZINC000293638426 565178137 /nfs/dbraw/zinc/17/81/37/565178137.db2.gz XJWQIJSLWBYSTD-ZDUSSCGKSA-N -1 3 384.885 3.149 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)CC[C@H]2CCOC2)oc1-c1ccc(Cl)cc1 ZINC000293638419 565178997 /nfs/dbraw/zinc/17/89/97/565178997.db2.gz XJWQIJSLWBYSTD-CYBMUJFWSA-N -1 3 384.885 3.149 20 0 GGADHM CC(C)CN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000269195666 565180885 /nfs/dbraw/zinc/18/08/85/565180885.db2.gz PQBSCIHMCJDXCO-UHFFFAOYSA-N -1 3 384.217 3.273 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CCC2(CCC2)C1 ZINC000158783342 565182071 /nfs/dbraw/zinc/18/20/71/565182071.db2.gz HGPFAONVMQCYHU-UHFFFAOYSA-N -1 3 396.559 3.304 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000158810180 565183097 /nfs/dbraw/zinc/18/30/97/565183097.db2.gz FCXMQRURKCSWJX-HNNXBMFYSA-N -1 3 383.828 3.232 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000269260433 565183650 /nfs/dbraw/zinc/18/36/50/565183650.db2.gz AEUKJQHJSIUNCL-ZDUSSCGKSA-N -1 3 388.580 3.068 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000158889288 565185575 /nfs/dbraw/zinc/18/55/75/565185575.db2.gz WKXIMEDRIRXOBC-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC000185185065 565185805 /nfs/dbraw/zinc/18/58/05/565185805.db2.gz SPCJTCKHURPXHQ-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2Br)cc1 ZINC000269320337 565185781 /nfs/dbraw/zinc/18/57/81/565185781.db2.gz DTUOLIXOMSFDKS-UHFFFAOYSA-N -1 3 385.283 3.142 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CC2(CCOCc3ccccc3)CC2)s1 ZINC000185185899 565186247 /nfs/dbraw/zinc/18/62/47/565186247.db2.gz YGUXJZHMXAVQAT-UHFFFAOYSA-N -1 3 380.535 3.425 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(Cl)c1 ZINC000158883587 565186480 /nfs/dbraw/zinc/18/64/80/565186480.db2.gz XDOVKFRLXMFSSM-UHFFFAOYSA-N -1 3 382.869 3.126 20 0 GGADHM Cc1ccc(SC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000185213879 565187150 /nfs/dbraw/zinc/18/71/50/565187150.db2.gz XUSASUAIIGKKKB-AWEZNQCLSA-N -1 3 398.575 3.022 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1cccc(Cl)c1F ZINC000269368646 565188720 /nfs/dbraw/zinc/18/87/20/565188720.db2.gz YALOPJQSTUYAJZ-LLVKDONJSA-N -1 3 379.906 3.202 20 0 GGADHM O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[N-]OCC1CC1 ZINC000293879961 565189722 /nfs/dbraw/zinc/18/97/22/565189722.db2.gz XPWSAEOFIAGKPV-UHFFFAOYSA-N -1 3 393.237 3.295 20 0 GGADHM Cc1c(Br)scc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000185262939 565190447 /nfs/dbraw/zinc/19/04/47/565190447.db2.gz RMIDNJVCPONZLW-UHFFFAOYSA-N -1 3 389.296 3.443 20 0 GGADHM Cn1cnnc1[N-]C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000159023466 565192018 /nfs/dbraw/zinc/19/20/18/565192018.db2.gz JPRAWEGCSGIOBO-UHFFFAOYSA-N -1 3 377.198 3.002 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000159071912 565193270 /nfs/dbraw/zinc/19/32/70/565193270.db2.gz LYNUQDVSSSCLPK-UHFFFAOYSA-N -1 3 387.303 3.023 20 0 GGADHM CCc1cc(=O)[n-]c(CN[C@@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)n1 ZINC000185285274 565193792 /nfs/dbraw/zinc/19/37/92/565193792.db2.gz QNHKBCHWVHCQFV-QGZVFWFLSA-N -1 3 384.263 3.229 20 0 GGADHM CCc1ncsc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000159139063 565195023 /nfs/dbraw/zinc/19/50/23/565195023.db2.gz DDFKVMRZKGXRQU-UHFFFAOYSA-N -1 3 393.412 3.348 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)nc2C)cc1OC ZINC000269710951 565197858 /nfs/dbraw/zinc/19/78/58/565197858.db2.gz NPNQMYDANKGBOY-UHFFFAOYSA-N -1 3 383.857 3.066 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000269799933 565199965 /nfs/dbraw/zinc/19/99/65/565199965.db2.gz UCSIQAGWXZJOIP-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM O=S(=O)(c1ccc(CNCc2cccc([O-])c2Cl)cc1)N1CCCC1 ZINC000294135857 565200083 /nfs/dbraw/zinc/20/00/83/565200083.db2.gz OBBUXVZUZBTAGO-UHFFFAOYSA-N -1 3 380.897 3.120 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@@H](O)C23CCCC3)cc(Br)c1[O-] ZINC000294190862 565202293 /nfs/dbraw/zinc/20/22/93/565202293.db2.gz OEHLDTYMHPRQEL-MBVDDHJVSA-N -1 3 396.281 3.083 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C[C@H]1C ZINC000294246093 565204454 /nfs/dbraw/zinc/20/44/54/565204454.db2.gz CODIKPIKFYFUAK-KFWWJZLASA-N -1 3 384.567 3.090 20 0 GGADHM C[C@@H](c1nccs1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000185613081 565211050 /nfs/dbraw/zinc/21/10/50/565211050.db2.gz RBQPQTGJBUKNMN-LBPRGKRZSA-N -1 3 382.327 3.490 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(O)c2F)c1 ZINC000185605884 565211324 /nfs/dbraw/zinc/21/13/24/565211324.db2.gz LBAGJORHFKYLAB-UHFFFAOYSA-N -1 3 376.203 3.103 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)s1 ZINC000270181664 565211293 /nfs/dbraw/zinc/21/12/93/565211293.db2.gz MZDIEZVAOYHXHS-UHFFFAOYSA-N -1 3 377.894 3.248 20 0 GGADHM CC(C)(O)c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000185676685 565216036 /nfs/dbraw/zinc/21/60/36/565216036.db2.gz YRHORYGTGGUKBP-UHFFFAOYSA-N -1 3 393.281 3.382 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCCC2(F)F)cc1OC ZINC000294543479 565217136 /nfs/dbraw/zinc/21/71/36/565217136.db2.gz RSRSPMSWGANNGS-LBPRGKRZSA-N -1 3 376.425 3.221 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)no1 ZINC000372021831 565219268 /nfs/dbraw/zinc/21/92/68/565219268.db2.gz MSRZIEJRLFTJHX-CQSZACIVSA-N -1 3 380.242 3.498 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC[C@H]1c1ccco1 ZINC000372022538 565220718 /nfs/dbraw/zinc/22/07/18/565220718.db2.gz XJLRWENQJLHCSP-ZDUSSCGKSA-N -1 3 381.226 3.031 20 0 GGADHM Cc1coc2ccc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)cc12 ZINC000185781456 565221707 /nfs/dbraw/zinc/22/17/07/565221707.db2.gz CXUDJTAGMQZUNG-UHFFFAOYSA-N -1 3 384.866 3.373 20 0 GGADHM CCC(=O)[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000185828514 565224267 /nfs/dbraw/zinc/22/42/67/565224267.db2.gz PMWQRYZWWVTSAE-OAHLLOKOSA-N -1 3 391.265 3.264 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(C)(C)C)c1O ZINC000185860505 565224998 /nfs/dbraw/zinc/22/49/98/565224998.db2.gz MRJBRFYFNUAYTI-LLVKDONJSA-N -1 3 382.507 3.057 20 0 GGADHM CCC(CC)c1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2OC)s1 ZINC000270706470 565226507 /nfs/dbraw/zinc/22/65/07/565226507.db2.gz ZGMSPIPZJIYNGI-UHFFFAOYSA-N -1 3 383.495 3.106 20 0 GGADHM Cc1cn2c(n1)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000372251533 565228373 /nfs/dbraw/zinc/22/83/73/565228373.db2.gz KKQQABKEAJUQFZ-ZDUSSCGKSA-N -1 3 393.285 3.036 20 0 GGADHM Cn1nc(C(=O)[N-]c2c(F)cc(Br)cc2F)cc1OC(F)F ZINC000185919822 565228986 /nfs/dbraw/zinc/22/89/86/565228986.db2.gz CADIFNFMHFPZTF-UHFFFAOYSA-N -1 3 382.111 3.315 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000185949370 565230942 /nfs/dbraw/zinc/23/09/42/565230942.db2.gz RUDLOLXUCLEGOV-UHFFFAOYSA-N -1 3 397.733 3.484 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000185969227 565232016 /nfs/dbraw/zinc/23/20/16/565232016.db2.gz PPMIANNPYXTHIN-UHFFFAOYSA-N -1 3 385.287 3.463 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c(C)o1 ZINC000185970994 565232813 /nfs/dbraw/zinc/23/28/13/565232813.db2.gz INVXERDCMLLJKO-UHFFFAOYSA-N -1 3 396.774 3.421 20 0 GGADHM Cn1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cc1OC(F)F ZINC000186056349 565237101 /nfs/dbraw/zinc/23/71/01/565237101.db2.gz BMWLBMSGUXJLPZ-UHFFFAOYSA-N -1 3 385.783 3.446 20 0 GGADHM Cc1ocnc1C[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000271100459 565238726 /nfs/dbraw/zinc/23/87/26/565238726.db2.gz MUQTYEJYQYDESM-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c1 ZINC000186161840 565243396 /nfs/dbraw/zinc/24/33/96/565243396.db2.gz SQKHWQQOYUQZJC-GFCCVEGCSA-N -1 3 392.315 3.085 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)cc1Cl ZINC000186157605 565243412 /nfs/dbraw/zinc/24/34/12/565243412.db2.gz CMWUKLTYKJHCQT-LBPRGKRZSA-N -1 3 392.880 3.065 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000186161662 565243590 /nfs/dbraw/zinc/24/35/90/565243590.db2.gz NHZZLKFBPKCUNF-SNVBAGLBSA-N -1 3 378.841 3.012 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186170591 565244636 /nfs/dbraw/zinc/24/46/36/565244636.db2.gz BGAZWGQFWCPZRY-HNNXBMFYSA-N -1 3 381.881 3.234 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)sc1Br ZINC000186173049 565244951 /nfs/dbraw/zinc/24/49/51/565244951.db2.gz LZFLQCJWOIZQDW-NSHDSACASA-N -1 3 382.345 3.447 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3c(Br)ccc(F)c3C2)on1 ZINC000186196201 565245829 /nfs/dbraw/zinc/24/58/29/565245829.db2.gz GREDEGKASMLORN-SNVBAGLBSA-N -1 3 382.233 3.270 20 0 GGADHM COC[C@H]1CCCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000372585268 565245904 /nfs/dbraw/zinc/24/59/04/565245904.db2.gz NIVYOKCEVQOHOU-UZYOAWRESA-N -1 3 398.297 3.452 20 0 GGADHM O=c1[n-]c(CN2CCc3c(Br)ccc(F)c3C2)nc2ccsc21 ZINC000186202619 565246241 /nfs/dbraw/zinc/24/62/41/565246241.db2.gz JEUGRTSUERVVFD-UHFFFAOYSA-N -1 3 394.269 3.445 20 0 GGADHM CC(C)c1nnc(C[N-]C(=O)C(F)(F)c2ccccc2Br)n1C ZINC000295134581 565246291 /nfs/dbraw/zinc/24/62/91/565246291.db2.gz YOXJGRDTJDKKCF-UHFFFAOYSA-N -1 3 387.228 3.109 20 0 GGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C[C@@H]1C ZINC000271300903 565247560 /nfs/dbraw/zinc/24/75/60/565247560.db2.gz BYQUISVMAWTMBB-UWVGGRQHSA-N -1 3 396.228 3.273 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(I)c[nH]2)c2c([O-])cccc21 ZINC000186259890 565249873 /nfs/dbraw/zinc/24/98/73/565249873.db2.gz JSYPGZVJLIZRDD-VIFPVBQESA-N -1 3 382.201 3.479 20 0 GGADHM COCCOc1c(Cl)cc([N-]S(=O)(=O)CCOC(C)C)cc1Cl ZINC000271370022 565250366 /nfs/dbraw/zinc/25/03/66/565250366.db2.gz KRFHGTMQKREVTA-UHFFFAOYSA-N -1 3 386.297 3.185 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186281208 565252328 /nfs/dbraw/zinc/25/23/28/565252328.db2.gz IGIAMECNMYIYLC-NSHDSACASA-N -1 3 393.408 3.159 20 0 GGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000295244791 565254102 /nfs/dbraw/zinc/25/41/02/565254102.db2.gz JWCYZIRUSXALGS-UHFFFAOYSA-N -1 3 382.795 3.079 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000295264009 565255153 /nfs/dbraw/zinc/25/51/53/565255153.db2.gz YLKCDBLTWWKSCQ-CYBMUJFWSA-N -1 3 394.440 3.222 20 0 GGADHM O=S(=O)([N-]Cc1ccsc1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186421558 565260943 /nfs/dbraw/zinc/26/09/43/565260943.db2.gz GGQNSMBWKQAWLK-ZDUSSCGKSA-N -1 3 387.910 3.295 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000186484581 565262971 /nfs/dbraw/zinc/26/29/71/565262971.db2.gz UWAUEXQTPXQMEB-MRXNPFEDSA-N -1 3 396.212 3.213 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)s1 ZINC000271659442 565263451 /nfs/dbraw/zinc/26/34/51/565263451.db2.gz JLCXAOLVRNIJRE-JQWIXIFHSA-N -1 3 382.345 3.301 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000271659440 565263623 /nfs/dbraw/zinc/26/36/23/565263623.db2.gz JLCXAOLVRNIJRE-CMPLNLGQSA-N -1 3 382.345 3.301 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl ZINC000186557399 565268680 /nfs/dbraw/zinc/26/86/80/565268680.db2.gz MSCGUXMBGHAOME-VIFPVBQESA-N -1 3 393.317 3.211 20 0 GGADHM C[C@H](CCO)C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000271811794 565268818 /nfs/dbraw/zinc/26/88/18/565268818.db2.gz BZFVKHNMKNWVLM-GFCCVEGCSA-N -1 3 385.302 3.143 20 0 GGADHM CC(C)c1noc(CCC(=O)[N-]OCc2ccc(F)cc2Br)n1 ZINC000186647460 565274632 /nfs/dbraw/zinc/27/46/32/565274632.db2.gz DGZJIRIXMLYZRS-UHFFFAOYSA-N -1 3 386.221 3.275 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)C1CCC(C(F)(F)F)CC1 ZINC000295587415 565275199 /nfs/dbraw/zinc/27/51/99/565275199.db2.gz MHCYQZSYACIQQE-ZPPKWKGLSA-N -1 3 387.370 3.039 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(SC)ccc2C)s1 ZINC000272068994 565276379 /nfs/dbraw/zinc/27/63/79/565276379.db2.gz JEDYCVDIDRVIKX-UHFFFAOYSA-N -1 3 385.536 3.008 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1ccc(C)o1 ZINC000272083349 565276931 /nfs/dbraw/zinc/27/69/31/565276931.db2.gz BIXOYBXMRGLRIW-GFCCVEGCSA-N -1 3 375.393 3.246 20 0 GGADHM Cc1ccc(SC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000186693930 565278292 /nfs/dbraw/zinc/27/82/92/565278292.db2.gz WRFSBBHHELEGGK-KBPBESRZSA-N -1 3 398.575 3.020 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186695989 565278318 /nfs/dbraw/zinc/27/83/18/565278318.db2.gz YXXGLXLWQDNIGU-HUUCEWRRSA-N -1 3 385.913 3.390 20 0 GGADHM Cc1ccc(SC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000186693869 565278428 /nfs/dbraw/zinc/27/84/28/565278428.db2.gz WRFSBBHHELEGGK-ZIAGYGMSSA-N -1 3 398.575 3.020 20 0 GGADHM Clc1cccc(-n2cc(C[N-]c3nnc([C@@H]4CCCO4)o3)nn2)c1Cl ZINC000272241221 565281710 /nfs/dbraw/zinc/28/17/10/565281710.db2.gz NLPLUTXGYRERAZ-LBPRGKRZSA-N -1 3 381.223 3.421 20 0 GGADHM Clc1cccc(-n2cc(C[N-]c3nnc([C@H]4CCCO4)o3)nn2)c1Cl ZINC000272241218 565281850 /nfs/dbraw/zinc/28/18/50/565281850.db2.gz NLPLUTXGYRERAZ-GFCCVEGCSA-N -1 3 381.223 3.421 20 0 GGADHM C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1sccc1Br ZINC000186777987 565284752 /nfs/dbraw/zinc/28/47/52/565284752.db2.gz HEBPJMCVKNAOLK-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM COCC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccco1 ZINC000272510814 565288678 /nfs/dbraw/zinc/28/86/78/565288678.db2.gz ITCZMPSMAPJLMP-ZDUSSCGKSA-N -1 3 383.242 3.325 20 0 GGADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000161746424 565292681 /nfs/dbraw/zinc/29/26/81/565292681.db2.gz FLORMZHSWPYBHM-CQSZACIVSA-N -1 3 398.575 3.233 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)[n-]c1C ZINC000295919092 565293708 /nfs/dbraw/zinc/29/37/08/565293708.db2.gz MRWZWJKDBODWJA-LLVKDONJSA-N -1 3 380.857 3.189 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)[n-]c1C ZINC000295919093 565294099 /nfs/dbraw/zinc/29/40/99/565294099.db2.gz MRWZWJKDBODWJA-NSHDSACASA-N -1 3 380.857 3.189 20 0 GGADHM Cc1noc(C)c1-c1nc(C)c(C(=O)[N-]c2sccc2S(C)(=O)=O)s1 ZINC000295958792 565294701 /nfs/dbraw/zinc/29/47/01/565294701.db2.gz UZPFEKNAZDTPDR-UHFFFAOYSA-N -1 3 397.503 3.441 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)cc1 ZINC000295955804 565294986 /nfs/dbraw/zinc/29/49/86/565294986.db2.gz MIODEVSAOTUXNT-UHFFFAOYSA-N -1 3 381.885 3.326 20 0 GGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3c(C)ccnc3Cl)cc21 ZINC000295988826 565297561 /nfs/dbraw/zinc/29/75/61/565297561.db2.gz OVPQSOPJZSTRQZ-UHFFFAOYSA-N -1 3 379.869 3.143 20 0 GGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000162010502 565301488 /nfs/dbraw/zinc/30/14/88/565301488.db2.gz LAOABFJBGJMEFC-JTQLQIEISA-N -1 3 376.247 3.481 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1ccc(Br)cc1F ZINC000162018947 565301693 /nfs/dbraw/zinc/30/16/93/565301693.db2.gz PYPFAMOAAXDVLX-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000296108991 565302215 /nfs/dbraw/zinc/30/22/15/565302215.db2.gz QAJOUFPNWZUREC-SECBINFHSA-N -1 3 381.192 3.286 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)s1 ZINC000296204941 565306658 /nfs/dbraw/zinc/30/66/58/565306658.db2.gz WDJYRSBUHCTOLQ-JTQLQIEISA-N -1 3 378.317 3.218 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000296186231 565307163 /nfs/dbraw/zinc/30/71/63/565307163.db2.gz USFIHORSNONBBH-NSHDSACASA-N -1 3 393.237 3.043 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(OC)cc1Br ZINC000187074139 565307371 /nfs/dbraw/zinc/30/73/71/565307371.db2.gz MKILLZGCGJRYBG-LLVKDONJSA-N -1 3 390.299 3.101 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000296215003 565308131 /nfs/dbraw/zinc/30/81/31/565308131.db2.gz MPBWTMRUHVNQLJ-UHFFFAOYSA-N -1 3 387.228 3.204 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000296285588 565311016 /nfs/dbraw/zinc/31/10/16/565311016.db2.gz ZCEWLDVKQUYNDS-GFCCVEGCSA-N -1 3 381.270 3.050 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000296285593 565311678 /nfs/dbraw/zinc/31/16/78/565311678.db2.gz ZCEWLDVKQUYNDS-LBPRGKRZSA-N -1 3 381.270 3.050 20 0 GGADHM O=S(=O)([N-]C1(C2CC2)CCOCC1)c1ccc(Cl)cc1Br ZINC000373958761 565312612 /nfs/dbraw/zinc/31/26/12/565312612.db2.gz NIBIMFHNHXHVFJ-UHFFFAOYSA-N -1 3 394.718 3.340 20 0 GGADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273229536 565313182 /nfs/dbraw/zinc/31/31/82/565313182.db2.gz MDAJAQJHUKMHIS-SNVBAGLBSA-N -1 3 394.294 3.010 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1cc(Cl)ccc1OCCC1CC1 ZINC000187177419 565314640 /nfs/dbraw/zinc/31/46/40/565314640.db2.gz LDLPGPRGUVSTFS-UHFFFAOYSA-N -1 3 386.926 3.496 20 0 GGADHM CCOC[C@H](C)CS(=O)(=O)[N-]Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000296355576 565314826 /nfs/dbraw/zinc/31/48/26/565314826.db2.gz QPQIVPIDZBHDTB-LBPRGKRZSA-N -1 3 386.901 3.395 20 0 GGADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000273277594 565315752 /nfs/dbraw/zinc/31/57/52/565315752.db2.gz SHVWSUTVWFXWHN-UHFFFAOYSA-N -1 3 388.638 3.106 20 0 GGADHM O=C(CCSc1ccccc1Br)N1CCc2c(=O)[n-]cnc2C1 ZINC000273306631 565316790 /nfs/dbraw/zinc/31/67/90/565316790.db2.gz XBUIZESRKGJLDG-UHFFFAOYSA-N -1 3 394.294 3.012 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(Br)c(F)c3)[n-]2)o1 ZINC000162490122 565318175 /nfs/dbraw/zinc/31/81/75/565318175.db2.gz RRRRRTRAASYZQF-UHFFFAOYSA-N -1 3 379.189 3.456 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(Br)c(F)c3)n2)o1 ZINC000162490122 565318182 /nfs/dbraw/zinc/31/81/82/565318182.db2.gz RRRRRTRAASYZQF-UHFFFAOYSA-N -1 3 379.189 3.456 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(Br)c(F)c3)n[n-]2)o1 ZINC000162490122 565318187 /nfs/dbraw/zinc/31/81/87/565318187.db2.gz RRRRRTRAASYZQF-UHFFFAOYSA-N -1 3 379.189 3.456 20 0 GGADHM Cc1cc(Br)cn2c(C[N-]c3nnc([C@@H]4CCCO4)o3)cnc12 ZINC000273389906 565318534 /nfs/dbraw/zinc/31/85/34/565318534.db2.gz ZPXLZXKRRSGOJI-LBPRGKRZSA-N -1 3 378.230 3.252 20 0 GGADHM Cc1cc(Br)cn2c(C[N-]c3nnc([C@H]4CCCO4)o3)cnc12 ZINC000273389903 565318688 /nfs/dbraw/zinc/31/86/88/565318688.db2.gz ZPXLZXKRRSGOJI-GFCCVEGCSA-N -1 3 378.230 3.252 20 0 GGADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(-c2ccc(OC)cc2)s1 ZINC000162516864 565319668 /nfs/dbraw/zinc/31/96/68/565319668.db2.gz MJMHTRLHBQSBHH-UHFFFAOYSA-N -1 3 377.857 3.415 20 0 GGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000187277849 565320572 /nfs/dbraw/zinc/32/05/72/565320572.db2.gz GHPBLEGLRHWBPP-HNNXBMFYSA-N -1 3 384.885 3.095 20 0 GGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187277867 565320688 /nfs/dbraw/zinc/32/06/88/565320688.db2.gz GHPBLEGLRHWBPP-OAHLLOKOSA-N -1 3 384.885 3.095 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCO[C@H](C4CC4)C3)s2)cs1 ZINC000162558947 565321044 /nfs/dbraw/zinc/32/10/44/565321044.db2.gz IRANNBCDRKVKSH-OCCSQVGLSA-N -1 3 384.548 3.416 20 0 GGADHM Cc1ccc(N(C)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000187341862 565325157 /nfs/dbraw/zinc/32/51/57/565325157.db2.gz ZCYTYXPBYLIIBD-UHFFFAOYSA-N -1 3 378.270 3.053 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000162722716 565325713 /nfs/dbraw/zinc/32/57/13/565325713.db2.gz ZCORULGMDKQQGT-UHFFFAOYSA-N -1 3 397.266 3.279 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2C)s1 ZINC000273604992 565327507 /nfs/dbraw/zinc/32/75/07/565327507.db2.gz MTRQQYOTQQECLB-SECBINFHSA-N -1 3 390.328 3.265 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000162787779 565327798 /nfs/dbraw/zinc/32/77/98/565327798.db2.gz GVZYNKRLKCGCIN-ZWNOBZJWSA-N -1 3 380.293 3.238 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000162787547 565327813 /nfs/dbraw/zinc/32/78/13/565327813.db2.gz GVZYNKRLKCGCIN-MFKMUULPSA-N -1 3 380.293 3.238 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)sc1Br ZINC000162818329 565329402 /nfs/dbraw/zinc/32/94/02/565329402.db2.gz OAGFRCIEVLQZBC-QWRGUYRKSA-N -1 3 380.329 3.055 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)cc(Br)c1)c1ccc(C)o1 ZINC000187402247 565329620 /nfs/dbraw/zinc/32/96/20/565329620.db2.gz MOWNCOGKDNWCDG-CQSZACIVSA-N -1 3 388.283 3.325 20 0 GGADHM Cc1c([N-]S(=O)(=O)CCc2cccc(Cl)c2)cnn1C1CCOCC1 ZINC000296687053 565330281 /nfs/dbraw/zinc/33/02/81/565330281.db2.gz JENPHVAWAZEDKM-UHFFFAOYSA-N -1 3 383.901 3.181 20 0 GGADHM COc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c(Br)c1[O-] ZINC000273688350 565331010 /nfs/dbraw/zinc/33/10/10/565331010.db2.gz AXAUKNXTFHMYMA-RNCFNFMXSA-N -1 3 384.192 3.051 20 0 GGADHM COc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c(Br)c1[O-] ZINC000273688357 565331243 /nfs/dbraw/zinc/33/12/43/565331243.db2.gz AXAUKNXTFHMYMA-ZANVPECISA-N -1 3 384.192 3.051 20 0 GGADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Br)c(C2CC2)n1 ZINC000296724651 565332254 /nfs/dbraw/zinc/33/22/54/565332254.db2.gz KTZRDRFKVPBQJF-UHFFFAOYSA-N -1 3 386.246 3.116 20 0 GGADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000296724651 565332259 /nfs/dbraw/zinc/33/22/59/565332259.db2.gz KTZRDRFKVPBQJF-UHFFFAOYSA-N -1 3 386.246 3.116 20 0 GGADHM Cc1cc(Br)cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000187491561 565336099 /nfs/dbraw/zinc/33/60/99/565336099.db2.gz KCOUTBGBTFZEHS-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM COc1ccc(CN2CCC(N3CCCCC3=O)CC2)c(Br)c1[O-] ZINC000273794327 565336617 /nfs/dbraw/zinc/33/66/17/565336617.db2.gz VZRXAZQOSPKXOV-UHFFFAOYSA-N -1 3 397.313 3.140 20 0 GGADHM COc1ccc([C@H](CO)N(C)Cc2ccc(OC)c([O-])c2Br)cc1 ZINC000273791484 565336687 /nfs/dbraw/zinc/33/66/87/565336687.db2.gz VKEHNYNMTYSZMK-HNNXBMFYSA-N -1 3 396.281 3.337 20 0 GGADHM COc1ccc(CN2CCC(c3nc(C)no3)CC2)c(Br)c1[O-] ZINC000273813609 565337565 /nfs/dbraw/zinc/33/75/65/565337565.db2.gz ZEOYDBXKHVPUDY-UHFFFAOYSA-N -1 3 382.258 3.234 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cnc(Br)s2)CC1 ZINC000296805398 565337771 /nfs/dbraw/zinc/33/77/71/565337771.db2.gz PPSKTEBXPCWILW-UHFFFAOYSA-N -1 3 396.310 3.462 20 0 GGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187542245 565339615 /nfs/dbraw/zinc/33/96/15/565339615.db2.gz UIRJRTWYGOQTGX-KBPBESRZSA-N -1 3 375.918 3.468 20 0 GGADHM CCn1cc([C@@H](C)NC(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)cn1 ZINC000296844120 565341041 /nfs/dbraw/zinc/34/10/41/565341041.db2.gz FPWXDZHRMNGJGW-MVIFTORASA-N -1 3 394.269 3.270 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CCCC34CCOCC4)cc21 ZINC000374603969 565347597 /nfs/dbraw/zinc/34/75/97/565347597.db2.gz TVOMPRPYYKGOHY-QGZVFWFLSA-N -1 3 383.897 3.097 20 0 GGADHM O=C(CSc1cccc(Br)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000163515869 565347824 /nfs/dbraw/zinc/34/78/24/565347824.db2.gz QGRCHQSFFFVROF-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM O=C(CSc1cccc(Br)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000163515869 565347827 /nfs/dbraw/zinc/34/78/27/565347827.db2.gz QGRCHQSFFFVROF-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM O=C(CSc1cccc(Br)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000163515869 565347829 /nfs/dbraw/zinc/34/78/29/565347829.db2.gz QGRCHQSFFFVROF-UHFFFAOYSA-N -1 3 390.266 3.360 20 0 GGADHM Cc1nccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1Cl ZINC000163883279 565352781 /nfs/dbraw/zinc/35/27/81/565352781.db2.gz VSKLCKKGSFSGHS-UHFFFAOYSA-N -1 3 385.898 3.142 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000163981540 565353909 /nfs/dbraw/zinc/35/39/09/565353909.db2.gz LPFHLXIQLVQQPX-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCOc2ccc(Br)cc2C1 ZINC000374792144 565355814 /nfs/dbraw/zinc/35/58/14/565355814.db2.gz JBVRQVJAFLGMMU-UHFFFAOYSA-N -1 3 399.244 3.325 20 0 GGADHM COc1cc(Br)c(NC([O-])=NO[C@@H]2CCCCO2)cc1OC ZINC000274161517 565359553 /nfs/dbraw/zinc/35/95/53/565359553.db2.gz HKNPTFXXDVIWRJ-CYBMUJFWSA-N -1 3 375.219 3.046 20 0 GGADHM COc1cc(Br)c(NC(=O)[N-]O[C@@H]2CCCCO2)cc1OC ZINC000274161517 565359557 /nfs/dbraw/zinc/35/95/57/565359557.db2.gz HKNPTFXXDVIWRJ-CYBMUJFWSA-N -1 3 375.219 3.046 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187853667 565359705 /nfs/dbraw/zinc/35/97/05/565359705.db2.gz HUOQZNXQLHZNOA-CYBMUJFWSA-N -1 3 376.906 3.144 20 0 GGADHM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000164502654 565361373 /nfs/dbraw/zinc/36/13/73/565361373.db2.gz QCBFSZRSQLFINS-NWDGAFQWSA-N -1 3 378.416 3.292 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1cncc(Br)c1 ZINC000274220362 565362804 /nfs/dbraw/zinc/36/28/04/565362804.db2.gz SIVJDIDTMWKJNF-GOEBONIOSA-N -1 3 397.294 3.043 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cncc(Br)c1 ZINC000274220370 565362835 /nfs/dbraw/zinc/36/28/35/565362835.db2.gz SIVJDIDTMWKJNF-ZBFHGGJFSA-N -1 3 397.294 3.043 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCC(=O)N2Cc3ccccc3C2)sc1Cl ZINC000187907910 565362803 /nfs/dbraw/zinc/36/28/03/565362803.db2.gz FSVAZVKPMVQJGG-UHFFFAOYSA-N -1 3 398.937 3.311 20 0 GGADHM COc1ccc(CN2CCC(O)(C(F)(F)F)CC2)c(Br)c1[O-] ZINC000274308537 565366688 /nfs/dbraw/zinc/36/66/88/565366688.db2.gz ADEUKOJGDGYNCL-UHFFFAOYSA-N -1 3 384.192 3.053 20 0 GGADHM O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000274478320 565372706 /nfs/dbraw/zinc/37/27/06/565372706.db2.gz MINKUQGFCINFGR-UHFFFAOYSA-N -1 3 393.081 3.085 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000274610627 565374601 /nfs/dbraw/zinc/37/46/01/565374601.db2.gz HRYKUOOVBBTYBW-CYBMUJFWSA-N -1 3 384.885 3.190 20 0 GGADHM C[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000375195093 565375125 /nfs/dbraw/zinc/37/51/25/565375125.db2.gz OCOBUXWTCWLAJW-QMMMGPOBSA-N -1 3 383.779 3.323 20 0 GGADHM CC(C)[C@@]1(CO)CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000297518342 565375652 /nfs/dbraw/zinc/37/56/52/565375652.db2.gz ZKNHZBHPERQZSK-KRWDZBQOSA-N -1 3 385.302 3.095 20 0 GGADHM CCOc1cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000297608150 565379118 /nfs/dbraw/zinc/37/91/18/565379118.db2.gz GIMGYSMSEJHJRM-UHFFFAOYSA-N -1 3 383.897 3.480 20 0 GGADHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000167656002 565379593 /nfs/dbraw/zinc/37/95/93/565379593.db2.gz OQALACVYJPHXKH-UHFFFAOYSA-N -1 3 376.309 3.330 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000167711888 565379682 /nfs/dbraw/zinc/37/96/82/565379682.db2.gz PYGRZRHKVXPMLX-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000167710283 565379737 /nfs/dbraw/zinc/37/97/37/565379737.db2.gz CAEXSODAAIQTGN-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccncc2C)c(Cl)c1Cl ZINC000167694439 565380024 /nfs/dbraw/zinc/38/00/24/565380024.db2.gz GRWPFNVZKPHQSP-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nc2cc(Br)ccn2n1 ZINC000297663765 565380768 /nfs/dbraw/zinc/38/07/68/565380768.db2.gz GIXPNLGLKICISI-UHFFFAOYSA-N -1 3 397.664 3.254 20 0 GGADHM CC(=O)Nc1nc(C(=O)[N-]c2cc(Br)c(F)cc2F)cs1 ZINC000188153021 565383793 /nfs/dbraw/zinc/38/37/93/565383793.db2.gz GHQUTADEIWLJMD-UHFFFAOYSA-N -1 3 376.182 3.395 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(-c2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000170643905 565384997 /nfs/dbraw/zinc/38/49/97/565384997.db2.gz YLBOABFQDJTGON-UHFFFAOYSA-N -1 3 376.459 3.139 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)sc1Cl ZINC000188234460 565389732 /nfs/dbraw/zinc/38/97/32/565389732.db2.gz XCRAURGDHKFPTA-SKDRFNHKSA-N -1 3 391.864 3.472 20 0 GGADHM O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc2n[n-]nc2c1 ZINC000170768006 565392059 /nfs/dbraw/zinc/39/20/59/565392059.db2.gz MEMGNVCWDQFWFI-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM CSC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275059379 565392299 /nfs/dbraw/zinc/39/22/99/565392299.db2.gz JPNKLNLFBAUIDK-GFCCVEGCSA-N -1 3 393.958 3.175 20 0 GGADHM CCOc1cnc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)cn1 ZINC000188313011 565394538 /nfs/dbraw/zinc/39/45/38/565394538.db2.gz RBLFXWRZCQIRTH-UHFFFAOYSA-N -1 3 375.841 3.223 20 0 GGADHM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000275145505 565395649 /nfs/dbraw/zinc/39/56/49/565395649.db2.gz UAAMVPRVMJNWJR-ZETCQYMHSA-N -1 3 381.763 3.015 20 0 GGADHM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000275145504 565396031 /nfs/dbraw/zinc/39/60/31/565396031.db2.gz UAAMVPRVMJNWJR-SSDOTTSWSA-N -1 3 381.763 3.015 20 0 GGADHM Cn1cc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000170900028 565398009 /nfs/dbraw/zinc/39/80/09/565398009.db2.gz JMCJJCBPXATSRJ-UHFFFAOYSA-N -1 3 395.790 3.321 20 0 GGADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nn1 ZINC000188414850 565400112 /nfs/dbraw/zinc/40/01/12/565400112.db2.gz SCWWUXMHJBCPFZ-UHFFFAOYSA-N -1 3 376.873 3.381 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccnc1C(F)(F)F ZINC000188416747 565400146 /nfs/dbraw/zinc/40/01/46/565400146.db2.gz KTHFXUKVIVFJGK-UHFFFAOYSA-N -1 3 375.144 3.499 20 0 GGADHM O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000375673681 565400408 /nfs/dbraw/zinc/40/04/08/565400408.db2.gz QUMFVQWUVUSLHH-UHFFFAOYSA-N -1 3 383.832 3.132 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2csc(-c3ccoc3)n2)ccc1F ZINC000170977046 565400796 /nfs/dbraw/zinc/40/07/96/565400796.db2.gz ZYNXDNVMWIEPBN-UHFFFAOYSA-N -1 3 381.410 3.166 20 0 GGADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000275311228 565402326 /nfs/dbraw/zinc/40/23/26/565402326.db2.gz NYWRJACQCDSWSP-JSGCOSHPSA-N -1 3 390.292 3.018 20 0 GGADHM COc1cc(OC)c(NC([O-])=NO[C@H]2CCCCO2)cc1Br ZINC000275318996 565402511 /nfs/dbraw/zinc/40/25/11/565402511.db2.gz SQSGOUQWTNEYKG-ZDUSSCGKSA-N -1 3 375.219 3.046 20 0 GGADHM COc1cc(OC)c(NC(=O)[N-]O[C@H]2CCCCO2)cc1Br ZINC000275318996 565402513 /nfs/dbraw/zinc/40/25/13/565402513.db2.gz SQSGOUQWTNEYKG-ZDUSSCGKSA-N -1 3 375.219 3.046 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCc2nccn2C1)c1cc(C(F)(F)F)ccc1Cl ZINC000275335983 565403864 /nfs/dbraw/zinc/40/38/64/565403864.db2.gz QXNQFXYAPQCOJI-JTQLQIEISA-N -1 3 393.818 3.096 20 0 GGADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188517807 565405636 /nfs/dbraw/zinc/40/56/36/565405636.db2.gz DEGGSTJWHJTXKL-SECBINFHSA-N -1 3 392.834 3.406 20 0 GGADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000275359396 565405936 /nfs/dbraw/zinc/40/59/36/565405936.db2.gz VJELEQLVIQYCHH-STQMWFEESA-N -1 3 390.292 3.018 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000188548012 565408278 /nfs/dbraw/zinc/40/82/78/565408278.db2.gz WYUDDPBTYFXWBH-UHFFFAOYSA-N -1 3 379.247 3.290 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000188548012 565408283 /nfs/dbraw/zinc/40/82/83/565408283.db2.gz WYUDDPBTYFXWBH-UHFFFAOYSA-N -1 3 379.247 3.290 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000188548012 565408286 /nfs/dbraw/zinc/40/82/86/565408286.db2.gz WYUDDPBTYFXWBH-UHFFFAOYSA-N -1 3 379.247 3.290 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000298308267 565408683 /nfs/dbraw/zinc/40/86/83/565408683.db2.gz JKVAJFKTDZAFLH-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000188595328 565411224 /nfs/dbraw/zinc/41/12/24/565411224.db2.gz WLXNJFXTXSMUEK-UHFFFAOYSA-N -1 3 398.278 3.336 20 0 GGADHM CCN1CCC(n2nccc2NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000171199544 565417095 /nfs/dbraw/zinc/41/70/95/565417095.db2.gz GBIYBCTVAJPNHB-UHFFFAOYSA-N -1 3 393.285 3.260 20 0 GGADHM CCOc1cc(CNCc2cccc(CS(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000298603425 565423033 /nfs/dbraw/zinc/42/30/33/565423033.db2.gz ZHCHZVAMZVBUSY-UHFFFAOYSA-N -1 3 383.897 3.279 20 0 GGADHM O=C(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)Nc1ccc(F)cc1 ZINC000188817469 565425527 /nfs/dbraw/zinc/42/55/27/565425527.db2.gz VGVDDYVVBOMHDS-UHFFFAOYSA-N -1 3 378.816 3.299 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000275795780 565427856 /nfs/dbraw/zinc/42/78/56/565427856.db2.gz OUKPSBMLTNKOMC-RISCZKNCSA-N -1 3 399.431 3.178 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000275795775 565428209 /nfs/dbraw/zinc/42/82/09/565428209.db2.gz OUKPSBMLTNKOMC-FZMZJTMJSA-N -1 3 399.431 3.178 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1cc(F)ccc1Cl ZINC000171416916 565430871 /nfs/dbraw/zinc/43/08/71/565430871.db2.gz HDPAOMUGLZCXLC-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM C[C@H](C[S@](C)=O)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000298949459 565435252 /nfs/dbraw/zinc/43/52/52/565435252.db2.gz OMDNRWXRTHUAGJ-YDBLSZJJSA-N -1 3 375.519 3.263 20 0 GGADHM Cc1nn2c(nnc2SCc2ccc(Br)c(Cl)c2)[n-]c1=O ZINC000189021546 565437930 /nfs/dbraw/zinc/43/79/30/565437930.db2.gz RNZFMCKMIZAVML-UHFFFAOYSA-N -1 3 386.662 3.242 20 0 GGADHM CC(C)(O)CO[N-]C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000299090951 565439060 /nfs/dbraw/zinc/43/90/60/565439060.db2.gz VJZDIMJOUGUMJQ-UHFFFAOYSA-N -1 3 388.251 3.185 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2cccs2)cc1Cl ZINC000171629766 565440916 /nfs/dbraw/zinc/44/09/16/565440916.db2.gz CYIJWIOPGBIAAH-SECBINFHSA-N -1 3 390.889 3.409 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)s1 ZINC000299148612 565441472 /nfs/dbraw/zinc/44/14/72/565441472.db2.gz OIMRNJNCDAZHKJ-UHFFFAOYSA-N -1 3 380.535 3.029 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCCCC2)no1 ZINC000276298228 565443233 /nfs/dbraw/zinc/44/32/33/565443233.db2.gz KDWQZGOJGWRKBL-UHFFFAOYSA-N -1 3 387.864 3.450 20 0 GGADHM O=S(=O)([N-]c1c(F)cc(F)cc1Br)c1cn2c(n1)CCCC2 ZINC000376626247 565445901 /nfs/dbraw/zinc/44/59/01/565445901.db2.gz JDYMIQHVEGEOSS-UHFFFAOYSA-N -1 3 392.225 3.061 20 0 GGADHM CCOC(=O)c1c2c(sc1NC([O-])=NOC[C@H]1CCOC1)SCCC2 ZINC000276415906 565448537 /nfs/dbraw/zinc/44/85/37/565448537.db2.gz QCYFFCOVKJIOHS-JTQLQIEISA-N -1 3 386.495 3.053 20 0 GGADHM CCOC(=O)c1c2c(sc1NC(=O)[N-]OC[C@H]1CCOC1)SCCC2 ZINC000276415906 565448541 /nfs/dbraw/zinc/44/85/41/565448541.db2.gz QCYFFCOVKJIOHS-JTQLQIEISA-N -1 3 386.495 3.053 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(Cl)cc1I ZINC000276453740 565449451 /nfs/dbraw/zinc/44/94/51/565449451.db2.gz WFRCNDPWDUFYRG-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Cl)cc1I ZINC000276453740 565449457 /nfs/dbraw/zinc/44/94/57/565449457.db2.gz WFRCNDPWDUFYRG-QMMMGPOBSA-N -1 3 396.612 3.034 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(Br)cc(C)cc3C2)on1 ZINC000189250582 565453797 /nfs/dbraw/zinc/45/37/97/565453797.db2.gz FAOZAPUCJWZWJN-LBPRGKRZSA-N -1 3 378.270 3.439 20 0 GGADHM CC[C@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)sc2C1 ZINC000171850754 565453778 /nfs/dbraw/zinc/45/37/78/565453778.db2.gz UZXTUKVESYGJCY-JTQLQIEISA-N -1 3 399.563 3.222 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)c1 ZINC000171835259 565454029 /nfs/dbraw/zinc/45/40/29/565454029.db2.gz WJKYCYZIBLVWNH-UHFFFAOYSA-N -1 3 386.926 3.205 20 0 GGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000376784113 565454579 /nfs/dbraw/zinc/45/45/79/565454579.db2.gz FDSHNZZSHHUUHR-LBPRGKRZSA-N -1 3 382.283 3.328 20 0 GGADHM COCC(=O)N1CCc2cc(NCc3cc([O-])ccc3Br)ccc21 ZINC000189296662 565457024 /nfs/dbraw/zinc/45/70/24/565457024.db2.gz LEYWMXCVHAZDJU-UHFFFAOYSA-N -1 3 391.265 3.302 20 0 GGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171969759 565460774 /nfs/dbraw/zinc/46/07/74/565460774.db2.gz YEKGKZUMSIVKEJ-VXGBXAGGSA-N -1 3 386.564 3.453 20 0 GGADHM COc1ccc(CN2CCSC[C@H]2c2cnn(C)c2)c(Br)c1[O-] ZINC000276838141 565463176 /nfs/dbraw/zinc/46/31/76/565463176.db2.gz SEMDIHPBUKWYIM-ZDUSSCGKSA-N -1 3 398.326 3.187 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CCCC2)no1)c1ccc(Br)s1 ZINC000172046998 565464059 /nfs/dbraw/zinc/46/40/59/565464059.db2.gz QMGMMTQJZCUWSZ-UHFFFAOYSA-N -1 3 392.300 3.030 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1nccs1 ZINC000172077864 565465197 /nfs/dbraw/zinc/46/51/97/565465197.db2.gz UPXGLHMUDVJHHX-UHFFFAOYSA-N -1 3 396.719 3.168 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cccc(Cl)c1Br ZINC000276975992 565470088 /nfs/dbraw/zinc/47/00/88/565470088.db2.gz XOARFQZEUBHJJA-UHFFFAOYSA-N -1 3 393.734 3.008 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000276996809 565470519 /nfs/dbraw/zinc/47/05/19/565470519.db2.gz TXNYAKLLRFSUCA-VHSXEESVSA-N -1 3 387.303 3.120 20 0 GGADHM COc1cc(Br)c(CNC[C@H]2CC[C@H](C(=O)[O-])CC2)c(OC)c1 ZINC000277009397 565471157 /nfs/dbraw/zinc/47/11/57/565471157.db2.gz MOFJOKPAFZSDRU-HAQNSBGRSA-N -1 3 386.286 3.447 20 0 GGADHM CN(C)C(=O)C1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCCC1 ZINC000189528983 565471784 /nfs/dbraw/zinc/47/17/84/565471784.db2.gz LLUUYLXDOPIDEN-UHFFFAOYSA-N -1 3 380.901 3.170 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H](NCc1cc(Br)ccc1Cl)C(=O)[O-] ZINC000277111647 565477034 /nfs/dbraw/zinc/47/70/34/565477034.db2.gz AKDWMGYJMAASCP-GFCCVEGCSA-N -1 3 392.677 3.377 20 0 GGADHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)n1 ZINC000622832048 565477210 /nfs/dbraw/zinc/47/72/10/565477210.db2.gz HXZBAQLPTZEEJW-UHFFFAOYSA-N -1 3 397.664 3.349 20 0 GGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000377399035 565477608 /nfs/dbraw/zinc/47/76/08/565477608.db2.gz NCUOALVGQQNFBC-UHFFFAOYSA-N -1 3 379.894 3.478 20 0 GGADHM CCc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c([O-])c1 ZINC000189630199 565478531 /nfs/dbraw/zinc/47/85/31/565478531.db2.gz FBRBXPXPIFASSO-UHFFFAOYSA-N -1 3 390.281 3.075 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)cc1Br ZINC000189636157 565478635 /nfs/dbraw/zinc/47/86/35/565478635.db2.gz HVUYQYHNBDBLIL-SECBINFHSA-N -1 3 375.226 3.220 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)cc1Br ZINC000189636157 565478637 /nfs/dbraw/zinc/47/86/37/565478637.db2.gz HVUYQYHNBDBLIL-SECBINFHSA-N -1 3 375.226 3.220 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1Br ZINC000189636157 565478640 /nfs/dbraw/zinc/47/86/40/565478640.db2.gz HVUYQYHNBDBLIL-SECBINFHSA-N -1 3 375.226 3.220 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000189663158 565480581 /nfs/dbraw/zinc/48/05/81/565480581.db2.gz CMUIGCRMFWZEMK-UHFFFAOYSA-N -1 3 393.408 3.340 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000189668205 565480917 /nfs/dbraw/zinc/48/09/17/565480917.db2.gz HWMFAWHDZLCDLT-VIFPVBQESA-N -1 3 375.418 3.161 20 0 GGADHM O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189662884 565480928 /nfs/dbraw/zinc/48/09/28/565480928.db2.gz BCXQBWFMPZTEGB-LLVKDONJSA-N -1 3 393.877 3.050 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](CC(=O)[O-])C(C)(C)C ZINC000277177857 565481363 /nfs/dbraw/zinc/48/13/63/565481363.db2.gz FAWJVMSIQZLBCQ-CYBMUJFWSA-N -1 3 375.918 3.360 20 0 GGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000172367584 565481405 /nfs/dbraw/zinc/48/14/05/565481405.db2.gz BOTZNNROJRUQBU-HNNXBMFYSA-N -1 3 382.869 3.235 20 0 GGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000172364862 565481751 /nfs/dbraw/zinc/48/17/51/565481751.db2.gz DOGKFFIYPJQTML-VIFPVBQESA-N -1 3 388.205 3.389 20 0 GGADHM C[C@H]([N-]S(=O)(=O)CCc1cccs1)c1nc(-c2cccc(F)c2)no1 ZINC000189678127 565482010 /nfs/dbraw/zinc/48/20/10/565482010.db2.gz XKQYLEZTBGJDOH-NSHDSACASA-N -1 3 381.454 3.160 20 0 GGADHM Cc1ccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1Br ZINC000189714257 565483056 /nfs/dbraw/zinc/48/30/56/565483056.db2.gz NEORWVUXDWQNCA-UHFFFAOYSA-N -1 3 397.294 3.310 20 0 GGADHM CC(C)(CNCc1ncc(Br)cc1Br)CC(=O)[O-] ZINC000277229525 565483818 /nfs/dbraw/zinc/48/38/18/565483818.db2.gz IJASOFXEDHUMNR-UHFFFAOYSA-N -1 3 380.080 3.197 20 0 GGADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CCc1cccs1)c1ccccc1 ZINC000189729597 565485121 /nfs/dbraw/zinc/48/51/21/565485121.db2.gz VHPBNRAJVKSDRU-MRXNPFEDSA-N -1 3 381.519 3.293 20 0 GGADHM CC(C)[C@H](CNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000277262787 565485947 /nfs/dbraw/zinc/48/59/47/565485947.db2.gz KVFYHRCMMYAIKF-VIFPVBQESA-N -1 3 380.080 3.053 20 0 GGADHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000301460489 565487034 /nfs/dbraw/zinc/48/70/34/565487034.db2.gz ZERAUHAOGPZJBX-LLVKDONJSA-N -1 3 387.807 3.225 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Cl)c(Cl)c1 ZINC000277348358 565490961 /nfs/dbraw/zinc/49/09/61/565490961.db2.gz PFSQANBXUHRPRI-NSHDSACASA-N -1 3 382.169 3.452 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)n1 ZINC000189818851 565491266 /nfs/dbraw/zinc/49/12/66/565491266.db2.gz YPEUJQVBIMFNIN-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000172659139 565496605 /nfs/dbraw/zinc/49/66/05/565496605.db2.gz KGHVYGZCSNWBOT-SECBINFHSA-N -1 3 381.807 3.440 20 0 GGADHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cnn1C ZINC000172658571 565496716 /nfs/dbraw/zinc/49/67/16/565496716.db2.gz DYYDJNOXGDVVOQ-MRVPVSSYSA-N -1 3 381.807 3.440 20 0 GGADHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000172659143 565496849 /nfs/dbraw/zinc/49/68/49/565496849.db2.gz KGHVYGZCSNWBOT-VIFPVBQESA-N -1 3 381.807 3.440 20 0 GGADHM Cc1oc(C(=O)[N-]c2ncc(C(C)C)s2)cc1S(=O)(=O)N1CCCC1 ZINC000172673864 565497726 /nfs/dbraw/zinc/49/77/26/565497726.db2.gz IZPKLNDTJSEOGH-UHFFFAOYSA-N -1 3 383.495 3.205 20 0 GGADHM COc1cccc(C[C@H](NCc2cccc(Br)c2OC)C(=O)[O-])c1 ZINC000277498290 565501508 /nfs/dbraw/zinc/50/15/08/565501508.db2.gz XMYIPVCGKNNOQI-INIZCTEOSA-N -1 3 394.265 3.252 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Cl)cc(Cl)c1 ZINC000277501415 565502121 /nfs/dbraw/zinc/50/21/21/565502121.db2.gz XQTVOWAUMKSSLV-NSHDSACASA-N -1 3 382.169 3.452 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Cl)cc(Cl)c1 ZINC000277501398 565502288 /nfs/dbraw/zinc/50/22/88/565502288.db2.gz XQTVOWAUMKSSLV-LLVKDONJSA-N -1 3 382.169 3.452 20 0 GGADHM COc1ccccc1C[C@@H](CNCc1ccccc1Br)C(=O)[O-] ZINC000277504835 565502610 /nfs/dbraw/zinc/50/26/10/565502610.db2.gz XVVLTSQANNOFEH-HNNXBMFYSA-N -1 3 378.266 3.491 20 0 GGADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1ccc2c(c1)OCO2 ZINC000190075029 565506354 /nfs/dbraw/zinc/50/63/54/565506354.db2.gz RXNUCBDVHRBXAY-UHFFFAOYSA-N -1 3 392.177 3.257 20 0 GGADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1ccc2c(c1)CCO2 ZINC000190077758 565506721 /nfs/dbraw/zinc/50/67/21/565506721.db2.gz FANDMECDSZBKNX-UHFFFAOYSA-N -1 3 390.205 3.463 20 0 GGADHM O=S(=O)(Cc1cc(Br)ccc1Cl)c1nc(C2CC2)n[n-]1 ZINC000172870632 565508541 /nfs/dbraw/zinc/50/85/41/565508541.db2.gz LQYKPFOYFXQDFN-UHFFFAOYSA-N -1 3 376.663 3.072 20 0 GGADHM O=S(=O)(Cc1cc(Br)ccc1Cl)c1nnc(C2CC2)[n-]1 ZINC000172870632 565508544 /nfs/dbraw/zinc/50/85/44/565508544.db2.gz LQYKPFOYFXQDFN-UHFFFAOYSA-N -1 3 376.663 3.072 20 0 GGADHM Cc1cccc2ncnc(NCC[N-]S(=O)(=O)c3ccc(Cl)s3)c12 ZINC000301792400 565511215 /nfs/dbraw/zinc/51/12/15/565511215.db2.gz ODCRBCBTJPOBIZ-UHFFFAOYSA-N -1 3 382.898 3.044 20 0 GGADHM CC(C)c1nc(Sc2nnc([N-]CC(F)(F)F)s2)nc(N(C)C)n1 ZINC000301894315 565516708 /nfs/dbraw/zinc/51/67/08/565516708.db2.gz AZNIYWGBBQNGMU-UHFFFAOYSA-N -1 3 379.437 3.038 20 0 GGADHM FC(F)c1nnc2ccc(Sc3nnc([N-]CC(F)(F)F)s3)nn21 ZINC000301923433 565518504 /nfs/dbraw/zinc/51/85/04/565518504.db2.gz HHHNXZLXYCJIDH-UHFFFAOYSA-N -1 3 383.331 3.039 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(C2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000173023624 565520148 /nfs/dbraw/zinc/52/01/48/565520148.db2.gz PCKDWKDIDHMTAR-SNVBAGLBSA-N -1 3 382.835 3.121 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)s1)c1cc(F)c(F)c(F)c1 ZINC000173013117 565520346 /nfs/dbraw/zinc/52/03/46/565520346.db2.gz HJSYZOLCHVQKNL-UHFFFAOYSA-N -1 3 386.214 3.406 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3csc(Br)c3)CC2)[n-]1 ZINC000277853337 565524152 /nfs/dbraw/zinc/52/41/52/565524152.db2.gz SXGPLLOJUPOHFU-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3csc(Br)c3)CC2)n[n-]1 ZINC000277853337 565524157 /nfs/dbraw/zinc/52/41/57/565524157.db2.gz SXGPLLOJUPOHFU-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM CCOC(=O)c1n[n-]c(C2CCN(Cc3csc(Br)c3)CC2)n1 ZINC000277853337 565524162 /nfs/dbraw/zinc/52/41/62/565524162.db2.gz SXGPLLOJUPOHFU-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM O=S(=O)([N-]Cc1sccc1Br)c1cc(F)c(F)c(F)c1 ZINC000173079163 565524621 /nfs/dbraw/zinc/52/46/21/565524621.db2.gz ORBRKLLEZPJOPP-UHFFFAOYSA-N -1 3 386.214 3.406 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000173072454 565524804 /nfs/dbraw/zinc/52/48/04/565524804.db2.gz WGCGCMREKJFKKV-CQSZACIVSA-N -1 3 376.400 3.058 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000173132940 565530482 /nfs/dbraw/zinc/53/04/82/565530482.db2.gz RVSMAVSDLLBOOA-SNVBAGLBSA-N -1 3 392.424 3.158 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3nc(Cl)ccc3Cl)CC2)[n-]1 ZINC000277949236 565530590 /nfs/dbraw/zinc/53/05/90/565530590.db2.gz ZVZMBRPDLMFAED-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3nc(Cl)ccc3Cl)CC2)n[n-]1 ZINC000277949236 565530596 /nfs/dbraw/zinc/53/05/96/565530596.db2.gz ZVZMBRPDLMFAED-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CCOC(=O)c1n[n-]c(C2CCN(Cc3nc(Cl)ccc3Cl)CC2)n1 ZINC000277949236 565530599 /nfs/dbraw/zinc/53/05/99/565530599.db2.gz ZVZMBRPDLMFAED-UHFFFAOYSA-N -1 3 384.267 3.063 20 0 GGADHM CSc1nsc([N-]C(=O)c2scc(C)c2I)n1 ZINC000190456003 565533230 /nfs/dbraw/zinc/53/32/30/565533230.db2.gz PUHYNDKZBWNSNH-UHFFFAOYSA-N -1 3 397.288 3.487 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000190462542 565534515 /nfs/dbraw/zinc/53/45/15/565534515.db2.gz FBFLRMPPLILLHD-STQMWFEESA-N -1 3 384.885 3.188 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1nccs1 ZINC000173197293 565535863 /nfs/dbraw/zinc/53/58/63/565535863.db2.gz APXFHTQQSFJUSX-MRXNPFEDSA-N -1 3 380.470 3.072 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1nccs1 ZINC000173197275 565536101 /nfs/dbraw/zinc/53/61/01/565536101.db2.gz APXFHTQQSFJUSX-INIZCTEOSA-N -1 3 380.470 3.072 20 0 GGADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(F)cc3Cl)CC2)nc1 ZINC000173211485 565537089 /nfs/dbraw/zinc/53/70/89/565537089.db2.gz UGAAKOKSJDMFHY-UHFFFAOYSA-N -1 3 383.876 3.130 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000190515756 565537618 /nfs/dbraw/zinc/53/76/18/565537618.db2.gz DNLWKDKURRSFQP-GFCCVEGCSA-N -1 3 387.860 3.371 20 0 GGADHM NC(=O)c1csc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000173220683 565538647 /nfs/dbraw/zinc/53/86/47/565538647.db2.gz OYGQEGAAZNRDFG-UHFFFAOYSA-N -1 3 378.866 3.195 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)sc1C ZINC000173227274 565538690 /nfs/dbraw/zinc/53/86/90/565538690.db2.gz QNIMDIBMBYFDHK-UHFFFAOYSA-N -1 3 382.841 3.493 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000190522385 565538837 /nfs/dbraw/zinc/53/88/37/565538837.db2.gz HIJRXKVSLZWFBQ-NSHDSACASA-N -1 3 375.899 3.294 20 0 GGADHM [O-]c1c(Br)cc(CNCC2=CCCOC2)cc1Br ZINC000379780986 565540188 /nfs/dbraw/zinc/54/01/88/565540188.db2.gz WZVMXJOGQHSEDN-UHFFFAOYSA-N -1 3 377.076 3.354 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2SCCc3ccccc32)ccc1F ZINC000173252056 565540663 /nfs/dbraw/zinc/54/06/63/565540663.db2.gz SVQVAERJJGLOIM-MRXNPFEDSA-N -1 3 380.466 3.166 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCCO1 ZINC000381804386 565541270 /nfs/dbraw/zinc/54/12/70/565541270.db2.gz QQTSOTYWHSQBRG-SKDRFNHKSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1ccc(F)cc1Br ZINC000381468288 565541810 /nfs/dbraw/zinc/54/18/10/565541810.db2.gz KNVZNGNZVVZUAU-UHFFFAOYSA-N -1 3 399.285 3.425 20 0 GGADHM COC1(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000381184220 565541828 /nfs/dbraw/zinc/54/18/28/565541828.db2.gz QMQKCZXIKQFPCQ-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2cccc(Cl)c2Cl)on1 ZINC000278134061 565542227 /nfs/dbraw/zinc/54/22/27/565542227.db2.gz XBVABGXOVALFAC-VIFPVBQESA-N -1 3 377.249 3.232 20 0 GGADHM O=C1[C@@H]([N-]c2nnc(C(F)F)s2)CCN1c1cccc(Br)c1 ZINC000278175334 565543876 /nfs/dbraw/zinc/54/38/76/565543876.db2.gz BESYQNJVZZMJDV-VIFPVBQESA-N -1 3 389.225 3.456 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000190603537 565545237 /nfs/dbraw/zinc/54/52/37/565545237.db2.gz QUZZPAXTPKLEQF-UHFFFAOYSA-N -1 3 391.823 3.122 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)sc1Br ZINC000386250640 565547561 /nfs/dbraw/zinc/54/75/61/565547561.db2.gz IPXCRLCOCQGVEQ-LLVKDONJSA-N -1 3 382.345 3.039 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1nccs1 ZINC000190627703 565547594 /nfs/dbraw/zinc/54/75/94/565547594.db2.gz GMCRMCKSHMBATG-QWRGUYRKSA-N -1 3 390.914 3.250 20 0 GGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000388340448 565550311 /nfs/dbraw/zinc/55/03/11/565550311.db2.gz JNLOXOLMKMJYMB-OQPBUACISA-N -1 3 382.707 3.194 20 0 GGADHM COc1ccnc(Sc2n[n-]c(-c3ccc(OC)c(Br)c3)n2)n1 ZINC000302690233 565551063 /nfs/dbraw/zinc/55/10/63/565551063.db2.gz RMSNZGYDRCIGNZ-UHFFFAOYSA-N -1 3 394.254 3.193 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333941 565551499 /nfs/dbraw/zinc/55/14/99/565551499.db2.gz YHJNZJFYIYQTCE-XELLLNAOSA-N -1 3 376.400 3.111 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(Br)c2)o1 ZINC000173354988 565551627 /nfs/dbraw/zinc/55/16/27/565551627.db2.gz QUDHGYDBDRYPNX-CQSZACIVSA-N -1 3 388.283 3.271 20 0 GGADHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190705039 565552664 /nfs/dbraw/zinc/55/26/64/565552664.db2.gz QURARZXIJDQDLB-CHWSQXEVSA-N -1 3 375.918 3.204 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190709202 565552841 /nfs/dbraw/zinc/55/28/41/565552841.db2.gz YPJJAWHATUTVTE-HOCLYGCPSA-N -1 3 387.929 3.348 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCCOC1 ZINC000389197980 565553011 /nfs/dbraw/zinc/55/30/11/565553011.db2.gz PEWQLYHLSHZJNR-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCOC1 ZINC000389195228 565553669 /nfs/dbraw/zinc/55/36/69/565553669.db2.gz OJVAFQGJTWUBIO-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)c1nc(C)cs1 ZINC000173373254 565553990 /nfs/dbraw/zinc/55/39/90/565553990.db2.gz QCYLYLXCUDIPCD-INIZCTEOSA-N -1 3 388.486 3.212 20 0 GGADHM O=S(=O)([N-]CCOCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000390188158 565555995 /nfs/dbraw/zinc/55/59/95/565555995.db2.gz DEDZKOBIUAHYCB-UHFFFAOYSA-N -1 3 388.258 3.083 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000278452935 565560068 /nfs/dbraw/zinc/56/00/68/565560068.db2.gz WKFHCAQNIGRAPT-SECBINFHSA-N -1 3 382.433 3.054 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000391336003 565560321 /nfs/dbraw/zinc/56/03/21/565560321.db2.gz JYPPMAPJRVFIPJ-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000391360022 565561537 /nfs/dbraw/zinc/56/15/37/565561537.db2.gz WMYWYKPIHUDSRU-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000392005061 565562771 /nfs/dbraw/zinc/56/27/71/565562771.db2.gz OUBDIWNBNOJECC-UHFFFAOYSA-N -1 3 381.807 3.301 20 0 GGADHM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(Br)ccc1Br ZINC000173518113 565563141 /nfs/dbraw/zinc/56/31/41/565563141.db2.gz CNTNGVPRAXXEQI-UHFFFAOYSA-N -1 3 394.088 3.018 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000392371971 565564504 /nfs/dbraw/zinc/56/45/04/565564504.db2.gz QHIONKKKMZJZKF-SECBINFHSA-N -1 3 375.418 3.161 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(Br)s1 ZINC000173535835 565564888 /nfs/dbraw/zinc/56/48/88/565564888.db2.gz QIEVPBATWNUJTK-MNOVXSKESA-N -1 3 390.328 3.169 20 0 GGADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1cc(Br)ccc1F ZINC000303037623 565565897 /nfs/dbraw/zinc/56/58/97/565565897.db2.gz RJOUAJQVHQZIMB-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000190868693 565565995 /nfs/dbraw/zinc/56/59/95/565565995.db2.gz YTLARJAUYWIHSV-CQSZACIVSA-N -1 3 385.482 3.268 20 0 GGADHM CCOc1ccccc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000303019334 565566347 /nfs/dbraw/zinc/56/63/47/565566347.db2.gz MITBMLDTJIREDV-UHFFFAOYSA-N -1 3 388.258 3.465 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c(Cl)cc2N1 ZINC000303130076 565567638 /nfs/dbraw/zinc/56/76/38/565567638.db2.gz IBWYXRRISVHNDO-UHFFFAOYSA-N -1 3 375.208 3.428 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000303227739 565568423 /nfs/dbraw/zinc/56/84/23/565568423.db2.gz XMCPNOQPQVSSPJ-UHFFFAOYSA-N -1 3 377.359 3.374 20 0 GGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000393464872 565568866 /nfs/dbraw/zinc/56/88/66/565568866.db2.gz NQAXTQYKVHOOII-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000173606845 565570565 /nfs/dbraw/zinc/57/05/65/565570565.db2.gz BHZGTBFTRLIKIJ-NSHDSACASA-N -1 3 389.290 3.226 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000173625713 565570642 /nfs/dbraw/zinc/57/06/42/565570642.db2.gz DGRUQRIPDHVEBB-SNVBAGLBSA-N -1 3 392.424 3.381 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000278764429 565576816 /nfs/dbraw/zinc/57/68/16/565576816.db2.gz KMLMKRSSGDWXNI-DZGCQCFKSA-N -1 3 383.897 3.182 20 0 GGADHM O=S(=O)([N-]CCC1CCOCC1)c1ccc(Br)cc1Cl ZINC000312524821 565582099 /nfs/dbraw/zinc/58/20/99/565582099.db2.gz CJCIWQNSSVFIPJ-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CN(C)C(=O)Cn1cnc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)n1 ZINC000173766466 565584096 /nfs/dbraw/zinc/58/40/96/565584096.db2.gz FOTDGXLLMPFMFJ-UHFFFAOYSA-N -1 3 398.275 3.140 20 0 GGADHM COc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc(OC)c1[O-] ZINC000278934127 565586885 /nfs/dbraw/zinc/58/68/85/565586885.db2.gz LMHBIXMROAMFBT-SSDOTTSWSA-N -1 3 376.356 3.376 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(F)cc1Br ZINC000314560300 565587061 /nfs/dbraw/zinc/58/70/61/565587061.db2.gz MBUWOQPMYXDVHK-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM C[C@H]1OCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H]1C ZINC000407996234 565589690 /nfs/dbraw/zinc/58/96/90/565589690.db2.gz PRKNDZQCOLPFST-DTWKUNHWSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@H]1OCCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])[C@H]1C ZINC000407996234 565589696 /nfs/dbraw/zinc/58/96/96/565589696.db2.gz PRKNDZQCOLPFST-DTWKUNHWSA-N -1 3 399.672 3.193 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1cncc(Br)c1 ZINC000315474012 565590266 /nfs/dbraw/zinc/59/02/66/565590266.db2.gz YXWRDCPRYHWXND-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000279078529 565594630 /nfs/dbraw/zinc/59/46/30/565594630.db2.gz BEOMHYUYBNXWSL-OAHLLOKOSA-N -1 3 392.249 3.252 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000318393698 565595079 /nfs/dbraw/zinc/59/50/79/565595079.db2.gz HGLKAGKYTRDEKU-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@H]2CCO[C@@H]21 ZINC000408181296 565598515 /nfs/dbraw/zinc/59/85/15/565598515.db2.gz BKJBLXAIFAAMKD-WQAKAFBOSA-N -1 3 394.718 3.194 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(Cl)c1Cl ZINC000408234515 565600918 /nfs/dbraw/zinc/60/09/18/565600918.db2.gz DFQNFWIJRVOWJJ-GFWSLJDESA-N -1 3 380.293 3.094 20 0 GGADHM CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000173949316 565602024 /nfs/dbraw/zinc/60/20/24/565602024.db2.gz CFOVCXKINCATNX-ZIAGYGMSSA-N -1 3 387.571 3.025 20 0 GGADHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000408274071 565601958 /nfs/dbraw/zinc/60/19/58/565601958.db2.gz ITUGLCGMEJJTEZ-BDAKNGLRSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000408274071 565601961 /nfs/dbraw/zinc/60/19/61/565601961.db2.gz ITUGLCGMEJJTEZ-BDAKNGLRSA-N -1 3 399.672 3.193 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000173973432 565602675 /nfs/dbraw/zinc/60/26/75/565602675.db2.gz QDIZESBAKCHBQQ-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCOc2ccccc2Cl)c1 ZINC000173982171 565604234 /nfs/dbraw/zinc/60/42/34/565604234.db2.gz XGCUEDNPPFGAFU-UHFFFAOYSA-N -1 3 382.869 3.428 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2cccc(Br)c2)c1 ZINC000173980239 565604271 /nfs/dbraw/zinc/60/42/71/565604271.db2.gz CCZQKGVKJVRQNX-UHFFFAOYSA-N -1 3 397.294 3.310 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)cc1Br ZINC000320874069 565604554 /nfs/dbraw/zinc/60/45/54/565604554.db2.gz WSAOLSWQLWRIKQ-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)cc1Br ZINC000320874069 565604556 /nfs/dbraw/zinc/60/45/56/565604556.db2.gz WSAOLSWQLWRIKQ-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM Cc1cc(F)c(Br)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000191487861 565608038 /nfs/dbraw/zinc/60/80/38/565608038.db2.gz GFZIIMNJRBLUJG-UHFFFAOYSA-N -1 3 392.184 3.424 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000174037457 565609259 /nfs/dbraw/zinc/60/92/59/565609259.db2.gz PPNKIYMMFCMGME-SECBINFHSA-N -1 3 388.287 3.169 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2cc(Cl)cc(Cl)c2)c1 ZINC000409470969 565617347 /nfs/dbraw/zinc/61/73/47/565617347.db2.gz PJOMTRHKPHNPIZ-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)c1 ZINC000409477093 565617377 /nfs/dbraw/zinc/61/73/77/565617377.db2.gz WLRXBRHTJIXRQG-UHFFFAOYSA-N -1 3 375.471 3.209 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)c1 ZINC000409473023 565617480 /nfs/dbraw/zinc/61/74/80/565617480.db2.gz AEUUYSKPPSOUOU-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM COc1cc(Br)c(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1OC ZINC000324540095 565618140 /nfs/dbraw/zinc/61/81/40/565618140.db2.gz VZPPWDXNMUQKIF-KRWDZBQOSA-N -1 3 386.286 3.399 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000324402166 565618237 /nfs/dbraw/zinc/61/82/37/565618237.db2.gz HREMCWREKRBAIO-UHFFFAOYSA-N -1 3 381.807 3.301 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC ZINC000325087270 565620330 /nfs/dbraw/zinc/62/03/30/565620330.db2.gz IUXZROWXJSLVDE-CYBMUJFWSA-N -1 3 387.807 3.369 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000325402501 565621122 /nfs/dbraw/zinc/62/11/22/565621122.db2.gz YYDAWUPMTIQFTN-QMMMGPOBSA-N -1 3 387.807 3.367 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000326122344 565623159 /nfs/dbraw/zinc/62/31/59/565623159.db2.gz OKRQXTYOGKSGHH-GFCCVEGCSA-N -1 3 383.516 3.359 20 0 GGADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)cn1 ZINC000409545193 565623493 /nfs/dbraw/zinc/62/34/93/565623493.db2.gz WIXIRFCQQAOVQQ-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(CCS(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000409583880 565626000 /nfs/dbraw/zinc/62/60/00/565626000.db2.gz HCJMFZDJPWAFRA-UHFFFAOYSA-N -1 3 380.897 3.057 20 0 GGADHM COc1cc(C(=O)NCc2cccc(C)c2Br)cc(OC)c1[O-] ZINC000191736817 565627966 /nfs/dbraw/zinc/62/79/66/565627966.db2.gz HHVYXAMRUDWBPE-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ncccc1[O-] ZINC000409640044 565628730 /nfs/dbraw/zinc/62/87/30/565628730.db2.gz UHYICEJFDVUSCW-QFIPXVFZSA-N -1 3 383.267 3.076 20 0 GGADHM O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ncccc1[O-] ZINC000409640041 565629190 /nfs/dbraw/zinc/62/91/90/565629190.db2.gz UHYICEJFDVUSCW-JOCHJYFZSA-N -1 3 383.267 3.076 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000174326059 565629834 /nfs/dbraw/zinc/62/98/34/565629834.db2.gz RGHAHTVKXSPOLE-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(OC)cc1 ZINC000327523090 565630412 /nfs/dbraw/zinc/63/04/12/565630412.db2.gz AEFXVXFRVQGVFE-CQSZACIVSA-N -1 3 383.491 3.281 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1cc(C)ccc1OC ZINC000327668790 565631902 /nfs/dbraw/zinc/63/19/02/565631902.db2.gz KTEMRNYDQRTJCH-LBPRGKRZSA-N -1 3 383.491 3.200 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)sc1Br ZINC000328420369 565636072 /nfs/dbraw/zinc/63/60/72/565636072.db2.gz ZAANUIIBFQALSS-LLVKDONJSA-N -1 3 388.308 3.101 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1cc(Br)ccc1F ZINC000328695978 565638371 /nfs/dbraw/zinc/63/83/71/565638371.db2.gz DEHVPTNPCSIYPE-AWEZNQCLSA-N -1 3 392.290 3.216 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(Cl)c1Cl ZINC000328668395 565638636 /nfs/dbraw/zinc/63/86/36/565638636.db2.gz FCCMRGDQKFEJMK-DFKRKDTASA-N -1 3 392.304 3.238 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)sc1Cl ZINC000191888896 565640277 /nfs/dbraw/zinc/64/02/77/565640277.db2.gz OVIUMPNCFUFZCY-UHFFFAOYSA-N -1 3 384.910 3.315 20 0 GGADHM COC(=O)C[C@@](C)(NCc1cc([O-])ccc1Br)c1ccncc1 ZINC000191905960 565641454 /nfs/dbraw/zinc/64/14/54/565641454.db2.gz JIFSOTUCDPRCLH-QGZVFWFLSA-N -1 3 379.254 3.118 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1c(Cl)cccc1Br ZINC000328805958 565641721 /nfs/dbraw/zinc/64/17/21/565641721.db2.gz NITSJMRHOMKLLZ-BIMULSAOSA-N -1 3 394.718 3.338 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1ccco1 ZINC000279950647 565642194 /nfs/dbraw/zinc/64/21/94/565642194.db2.gz XTANUTMOVAPJGH-LBPRGKRZSA-N -1 3 379.356 3.076 20 0 GGADHM O=S(=O)([N-][C@H]1COc2cc(F)c(Br)cc21)c1cccs1 ZINC000409830749 565642409 /nfs/dbraw/zinc/64/24/09/565642409.db2.gz LENVEEDYNGNFTF-JTQLQIEISA-N -1 3 378.244 3.062 20 0 GGADHM O=S(=O)([N-][C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(F)c(F)c1 ZINC000409814486 565642531 /nfs/dbraw/zinc/64/25/31/565642531.db2.gz XQYCSNXDZLWQKI-QGZVFWFLSA-N -1 3 387.835 3.298 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2cc(F)c(Br)cc21)c1ccccc1F ZINC000409815197 565642644 /nfs/dbraw/zinc/64/26/44/565642644.db2.gz ZLBYWOFLWNSRCQ-GFCCVEGCSA-N -1 3 390.205 3.139 20 0 GGADHM O=S(=O)([N-]Cc1ccc(I)c(Cl)c1)c1ccco1 ZINC000409888161 565646718 /nfs/dbraw/zinc/64/67/18/565646718.db2.gz QKSDILGAAMJGSV-UHFFFAOYSA-N -1 3 397.621 3.016 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000191980376 565647517 /nfs/dbraw/zinc/64/75/17/565647517.db2.gz GQURXJBUNQKETF-CYBMUJFWSA-N -1 3 378.866 3.097 20 0 GGADHM COC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccco1 ZINC000174631904 565647908 /nfs/dbraw/zinc/64/79/08/565647908.db2.gz MYDLKLLVLVHHJE-AWEZNQCLSA-N -1 3 391.221 3.001 20 0 GGADHM CC(C)(C)c1cnc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000280041853 565648137 /nfs/dbraw/zinc/64/81/37/565648137.db2.gz ZJAPFWJTMWXHJJ-UHFFFAOYSA-N -1 3 399.607 3.445 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Br)c1 ZINC000280033921 565648445 /nfs/dbraw/zinc/64/84/45/565648445.db2.gz ABMFWXNOTSVVIQ-UHFFFAOYSA-N -1 3 376.194 3.079 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000409918055 565648985 /nfs/dbraw/zinc/64/89/85/565648985.db2.gz FKKJTPKJXBRUEU-UHFFFAOYSA-N -1 3 397.715 3.472 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000409924534 565649808 /nfs/dbraw/zinc/64/98/08/565649808.db2.gz TZEUWNWEDGTNRV-UHFFFAOYSA-N -1 3 378.885 3.318 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)c1Cl ZINC000409922238 565650104 /nfs/dbraw/zinc/65/01/04/565650104.db2.gz WPDNQBWOHQVTKO-UHFFFAOYSA-N -1 3 377.297 3.127 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000174672895 565650788 /nfs/dbraw/zinc/65/07/88/565650788.db2.gz OFMSYIYIFDBEBN-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM COc1cc(/C=C/C(=O)NCC(F)(F)C(F)F)cc(Br)c1[O-] ZINC000192019714 565650835 /nfs/dbraw/zinc/65/08/35/565650835.db2.gz XGKGWDCSMUVVRK-NSCUHMNNSA-N -1 3 386.139 3.193 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H]1c1cccs1 ZINC000174700669 565652356 /nfs/dbraw/zinc/65/23/56/565652356.db2.gz CDLBYPWPXOTGDG-LBPRGKRZSA-N -1 3 378.475 3.289 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccccc1Cl ZINC000174697099 565652561 /nfs/dbraw/zinc/65/25/61/565652561.db2.gz DMOGDFZDIXCFCE-UHFFFAOYSA-N -1 3 380.853 3.175 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329142915 565656024 /nfs/dbraw/zinc/65/60/24/565656024.db2.gz VHFGMONBCHGPHJ-VXGBXAGGSA-N -1 3 388.946 3.034 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329142913 565656145 /nfs/dbraw/zinc/65/61/45/565656145.db2.gz VHFGMONBCHGPHJ-NWDGAFQWSA-N -1 3 388.946 3.034 20 0 GGADHM CC1(CCNC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000280216936 565658808 /nfs/dbraw/zinc/65/88/08/565658808.db2.gz WWHKCPYMDSHAMS-UHFFFAOYSA-N -1 3 396.228 3.465 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1cccnc1C(F)(F)F ZINC000329246011 565660566 /nfs/dbraw/zinc/66/05/66/565660566.db2.gz VNNNINGGPPVFHK-LBPRGKRZSA-N -1 3 378.416 3.261 20 0 GGADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(SCc3cccs3)s2)nn1 ZINC000192123197 565661135 /nfs/dbraw/zinc/66/11/35/565661135.db2.gz YPXRGPKUMLMNOB-UHFFFAOYSA-N -1 3 380.524 3.491 20 0 GGADHM CN(C(=O)CC[N-]S(=O)(=O)c1cccs1)C1CCC(C(C)(C)C)CC1 ZINC000410058711 565661956 /nfs/dbraw/zinc/66/19/56/565661956.db2.gz UCYSVNRUYRQLDY-UHFFFAOYSA-N -1 3 386.583 3.480 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174883176 565664830 /nfs/dbraw/zinc/66/48/30/565664830.db2.gz WCSXCKADTIPCHD-SSDOTTSWSA-N -1 3 387.230 3.112 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC[C@H](c1cccs1)N1CCCC1 ZINC000174910756 565666477 /nfs/dbraw/zinc/66/64/77/565666477.db2.gz NMHMOEFTZUYHJK-SNVBAGLBSA-N -1 3 386.593 3.308 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1)c1ccco1 ZINC000410158065 565668198 /nfs/dbraw/zinc/66/81/98/565668198.db2.gz ONRNRSGBFFBECH-OAHLLOKOSA-N -1 3 378.475 3.378 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1ccc(Cl)c(Br)c1 ZINC000192211379 565670230 /nfs/dbraw/zinc/67/02/30/565670230.db2.gz KFFCBUTYHWGYDH-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000329533734 565670240 /nfs/dbraw/zinc/67/02/40/565670240.db2.gz YEWDUVIXGSVBQE-OAHLLOKOSA-N -1 3 380.539 3.427 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000192225613 565671323 /nfs/dbraw/zinc/67/13/23/565671323.db2.gz NRDBZSYSRIJCBH-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=S(=O)([N-]C1CCN([C@H]2CCc3ccc(F)cc32)CC1)c1cccs1 ZINC000174985563 565671633 /nfs/dbraw/zinc/67/16/33/565671633.db2.gz IZAHOOLEDFQMFX-KRWDZBQOSA-N -1 3 380.510 3.317 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(Cl)c(Br)c1 ZINC000192230188 565672990 /nfs/dbraw/zinc/67/29/90/565672990.db2.gz MKAOBQHDFICEPL-GFCCVEGCSA-N -1 3 394.674 3.098 20 0 GGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192228587 565673015 /nfs/dbraw/zinc/67/30/15/565673015.db2.gz UPHOQSKNORVZTC-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000192233442 565673135 /nfs/dbraw/zinc/67/31/35/565673135.db2.gz BVTDVYMCEZNCBB-UHFFFAOYSA-N -1 3 389.315 3.048 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000175022374 565675055 /nfs/dbraw/zinc/67/50/55/565675055.db2.gz HIVLFNSREYUOAS-UHFFFAOYSA-N -1 3 398.554 3.213 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3c(C)nn(CC(C)C)c3C)CCC2)n1 ZINC000329663488 565675612 /nfs/dbraw/zinc/67/56/12/565675612.db2.gz PYPDFJSOQADYAE-UHFFFAOYSA-N -1 3 382.555 3.279 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc3c(cccc3C)o2)c1 ZINC000410319937 565676958 /nfs/dbraw/zinc/67/69/58/565676958.db2.gz YAQPBDWJAXZFBO-UHFFFAOYSA-N -1 3 380.853 3.319 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)CSc1n[n-]c(=S)s1 ZINC000175074587 565677246 /nfs/dbraw/zinc/67/72/46/565677246.db2.gz CVLAADDBZQZROF-UHFFFAOYSA-N -1 3 386.543 3.022 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000175074116 565677339 /nfs/dbraw/zinc/67/73/39/565677339.db2.gz JXFKRRYGGXTKBP-UHFFFAOYSA-N -1 3 386.543 3.022 20 0 GGADHM CCCCS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C(F)F)s2)cc1 ZINC000192292297 565677638 /nfs/dbraw/zinc/67/76/38/565677638.db2.gz FRNUOSCOEWHUEG-UHFFFAOYSA-N -1 3 375.422 3.302 20 0 GGADHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000410329458 565678192 /nfs/dbraw/zinc/67/81/92/565678192.db2.gz SFGPQTNHAGHNPB-UHFFFAOYSA-N -1 3 391.674 3.448 20 0 GGADHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000410333634 565678260 /nfs/dbraw/zinc/67/82/60/565678260.db2.gz QASKIOXUBFKPQW-UHFFFAOYSA-N -1 3 396.266 3.276 20 0 GGADHM CCS(=O)(=O)c1ccc(CNCc2cc([O-])ccc2Br)s1 ZINC000280536684 565678929 /nfs/dbraw/zinc/67/89/29/565678929.db2.gz IVPHBNYVITUZCX-UHFFFAOYSA-N -1 3 390.324 3.300 20 0 GGADHM Cc1ccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)N2CCCC2)o1 ZINC000175095445 565679138 /nfs/dbraw/zinc/67/91/38/565679138.db2.gz BTACLYCXJOSILG-NSHDSACASA-N -1 3 384.552 3.148 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1cncc(Cl)c1 ZINC000329790896 565680776 /nfs/dbraw/zinc/68/07/76/565680776.db2.gz UERAICDMXRSCAS-KRWDZBQOSA-N -1 3 378.881 3.108 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-][C@@H]3CCCc4sccc43)c(F)cc2N1 ZINC000329809324 565680826 /nfs/dbraw/zinc/68/08/26/565680826.db2.gz QBRVZQBWRSMPRA-CYBMUJFWSA-N -1 3 380.466 3.128 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-][C@H]3CCCc4sccc43)c(F)cc2N1 ZINC000329809326 565681075 /nfs/dbraw/zinc/68/10/75/565681075.db2.gz QBRVZQBWRSMPRA-ZDUSSCGKSA-N -1 3 380.466 3.128 20 0 GGADHM O=C([N-]c1cnns1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000192333248 565681242 /nfs/dbraw/zinc/68/12/42/565681242.db2.gz FLFZBABOYREJDJ-UHFFFAOYSA-N -1 3 393.270 3.384 20 0 GGADHM O=C(CC1CCCCCC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000175190287 565683591 /nfs/dbraw/zinc/68/35/91/565683591.db2.gz HKQSDISUTLYJJI-UHFFFAOYSA-N -1 3 384.567 3.378 20 0 GGADHM CCn1cc(Br)c(=O)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000329845690 565683691 /nfs/dbraw/zinc/68/36/91/565683691.db2.gz OQNAIJDFUGKMDH-UHFFFAOYSA-N -1 3 391.312 3.110 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(Cl)ccc1OCC1CCC1 ZINC000329902070 565684126 /nfs/dbraw/zinc/68/41/26/565684126.db2.gz PCUCNOKDSHDPLH-ZMSDIMECSA-N -1 3 385.913 3.365 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c(Cl)c1Cl ZINC000329903821 565684706 /nfs/dbraw/zinc/68/47/06/565684706.db2.gz IOUSSDHQXDKVEN-HBNTYKKESA-N -1 3 380.293 3.238 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c(Cl)c1Cl ZINC000329903820 565684984 /nfs/dbraw/zinc/68/49/84/565684984.db2.gz IOUSSDHQXDKVEN-AXFHLTTASA-N -1 3 380.293 3.238 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC000410423154 565685380 /nfs/dbraw/zinc/68/53/80/565685380.db2.gz XNZZSHVYGMNCCI-UHFFFAOYSA-N -1 3 395.893 3.452 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2c(C)noc2C)c1 ZINC000280640980 565685605 /nfs/dbraw/zinc/68/56/05/565685605.db2.gz DHMFNWRMKGPKOS-SNVBAGLBSA-N -1 3 384.885 3.447 20 0 GGADHM CCOC(=O)c1cc(Br)ccc1[N-]C(=O)c1cc(OCC)no1 ZINC000410512557 565687980 /nfs/dbraw/zinc/68/79/80/565687980.db2.gz KAABZJJVOVUFFN-UHFFFAOYSA-N -1 3 383.198 3.265 20 0 GGADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175279931 565690239 /nfs/dbraw/zinc/69/02/39/565690239.db2.gz FTWVQDIBPFQEBS-CHWSQXEVSA-N -1 3 394.356 3.410 20 0 GGADHM CCOC(=O)c1ncc([N-]C(=O)c2nc(C)sc2Br)s1 ZINC000410596064 565690507 /nfs/dbraw/zinc/69/05/07/565690507.db2.gz YNXIUKAPARWCHA-UHFFFAOYSA-N -1 3 376.257 3.100 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](SC)C2)c1 ZINC000175292724 565691288 /nfs/dbraw/zinc/69/12/88/565691288.db2.gz FGRNLFQVFBDVDL-ZYHUDNBSSA-N -1 3 394.356 3.410 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C)o1 ZINC000175346936 565693767 /nfs/dbraw/zinc/69/37/67/565693767.db2.gz XIPSRWHYSANNLT-NSHDSACASA-N -1 3 379.356 3.153 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccc(C)o1 ZINC000175351827 565694864 /nfs/dbraw/zinc/69/48/64/565694864.db2.gz DQLBZGDIZWNXBW-AWEZNQCLSA-N -1 3 377.384 3.414 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccc(C)o1 ZINC000175348819 565694922 /nfs/dbraw/zinc/69/49/22/565694922.db2.gz NVKLDZZIMSNYHX-CYBMUJFWSA-N -1 3 379.356 3.153 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cc(Br)ccc1Cl ZINC000330188482 565697010 /nfs/dbraw/zinc/69/70/10/565697010.db2.gz UOGRMFWRYHFAAU-NSHDSACASA-N -1 3 394.718 3.483 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1Cl ZINC000330189851 565697042 /nfs/dbraw/zinc/69/70/42/565697042.db2.gz VPVSXMMGMQMDEF-NSHDSACASA-N -1 3 394.718 3.483 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(Cl)c1Br ZINC000330211907 565697364 /nfs/dbraw/zinc/69/73/64/565697364.db2.gz JPKFJLIFBSFWJM-JLLWLGSASA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1ccc(Br)cn1 ZINC000330191952 565697381 /nfs/dbraw/zinc/69/73/81/565697381.db2.gz XLDVQYUXPPDOJD-CYBMUJFWSA-N -1 3 389.315 3.004 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(Br)ccc1Cl ZINC000330188481 565697525 /nfs/dbraw/zinc/69/75/25/565697525.db2.gz UOGRMFWRYHFAAU-LLVKDONJSA-N -1 3 394.718 3.483 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1Br ZINC000330262741 565699615 /nfs/dbraw/zinc/69/96/15/565699615.db2.gz VNGOJCLVMMKJNA-RAIGVLPGSA-N -1 3 394.718 3.338 20 0 GGADHM CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000280848014 565699987 /nfs/dbraw/zinc/69/99/87/565699987.db2.gz CIBXQDMFKDPVRQ-NSHDSACASA-N -1 3 389.308 3.002 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)c(Br)c1 ZINC000330303139 565700762 /nfs/dbraw/zinc/70/07/62/565700762.db2.gz JSYLUJUYGADESD-SNVBAGLBSA-N -1 3 394.718 3.483 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1Br ZINC000280867111 565701237 /nfs/dbraw/zinc/70/12/37/565701237.db2.gz DHZYIQPXAMMVBK-NSHDSACASA-N -1 3 394.718 3.483 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000330389616 565704132 /nfs/dbraw/zinc/70/41/32/565704132.db2.gz FCZVMHNRQWUFSK-RYUDHWBXSA-N -1 3 377.915 3.079 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000330389615 565704386 /nfs/dbraw/zinc/70/43/86/565704386.db2.gz FCZVMHNRQWUFSK-NWDGAFQWSA-N -1 3 377.915 3.079 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000330426438 565706379 /nfs/dbraw/zinc/70/63/79/565706379.db2.gz FAUFYLSDJSCISI-SECBINFHSA-N -1 3 378.778 3.421 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c(C)o1 ZINC000330447350 565706639 /nfs/dbraw/zinc/70/66/39/565706639.db2.gz FVQVCTXMGIRVKS-GHMZBOCLSA-N -1 3 383.388 3.022 20 0 GGADHM CC(C)(C)c1nc(C(=O)[N-]c2nc3cc(Br)ccn3n2)cs1 ZINC000411048909 565707309 /nfs/dbraw/zinc/70/73/09/565707309.db2.gz OXLJEWIMEQZOBX-UHFFFAOYSA-N -1 3 380.271 3.498 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000192728383 565707493 /nfs/dbraw/zinc/70/74/93/565707493.db2.gz WLQFLDUOZBZQAR-UHFFFAOYSA-N -1 3 394.499 3.137 20 0 GGADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000330491766 565708874 /nfs/dbraw/zinc/70/88/74/565708874.db2.gz OIVFVUXJCWQXAZ-VXGBXAGGSA-N -1 3 383.286 3.378 20 0 GGADHM Cc1ccc(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000192803516 565711419 /nfs/dbraw/zinc/71/14/19/565711419.db2.gz YCRQSFPMJDBUPE-UHFFFAOYSA-N -1 3 388.258 3.222 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1nccs1 ZINC000192820034 565712560 /nfs/dbraw/zinc/71/25/60/565712560.db2.gz BTSISDNXLHCOJK-OAHLLOKOSA-N -1 3 390.914 3.417 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000175639046 565713441 /nfs/dbraw/zinc/71/34/41/565713441.db2.gz QJIXJTKGGQSMPW-FLCAKIMKSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000175646915 565713769 /nfs/dbraw/zinc/71/37/69/565713769.db2.gz WWMPCKGLAQDKPX-DCVWQXJKSA-N -1 3 384.350 3.352 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000330634348 565715294 /nfs/dbraw/zinc/71/52/94/565715294.db2.gz TVRMUTDGIDYJNZ-YPMHNXCESA-N -1 3 380.279 3.070 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000330629471 565715690 /nfs/dbraw/zinc/71/56/90/565715690.db2.gz NAGKGIYBWPSHGC-HZMBPMFUSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000330631991 565715797 /nfs/dbraw/zinc/71/57/97/565715797.db2.gz GZLWSACMBDBQSS-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000330631723 565715914 /nfs/dbraw/zinc/71/59/14/565715914.db2.gz PXLRFBCBBDLKIX-WCQYABFASA-N -1 3 380.279 3.070 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000330634346 565715965 /nfs/dbraw/zinc/71/59/65/565715965.db2.gz TVRMUTDGIDYJNZ-DGCLKSJQSA-N -1 3 380.279 3.070 20 0 GGADHM CN(CCC(F)(F)F)C(=O)C(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411190303 565717308 /nfs/dbraw/zinc/71/73/08/565717308.db2.gz NYOMHJYASDAWPV-SNVBAGLBSA-N -1 3 390.711 3.470 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000175775275 565723426 /nfs/dbraw/zinc/72/34/26/565723426.db2.gz FTTWBOHHAXNZLS-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1ccc(Cl)cc1Br ZINC000330816575 565723930 /nfs/dbraw/zinc/72/39/30/565723930.db2.gz DLZRZMJJPJWWAC-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330808545 565724352 /nfs/dbraw/zinc/72/43/52/565724352.db2.gz AQKFJXKUMRLZFK-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM CSCCCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000281327550 565724631 /nfs/dbraw/zinc/72/46/31/565724631.db2.gz JSODGHMRXADLSE-UHFFFAOYSA-N -1 3 391.534 3.119 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c(C)o1 ZINC000175805094 565725227 /nfs/dbraw/zinc/72/52/27/565725227.db2.gz UIJFVRUYFHVMCV-OAHLLOKOSA-N -1 3 382.869 3.127 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c(C)o1 ZINC000175805111 565725420 /nfs/dbraw/zinc/72/54/20/565725420.db2.gz UIJFVRUYFHVMCV-HNNXBMFYSA-N -1 3 382.869 3.127 20 0 GGADHM O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cccc([O-])c1 ZINC000193026869 565725686 /nfs/dbraw/zinc/72/56/86/565725686.db2.gz GTTVKDHIHUONPN-UHFFFAOYSA-N -1 3 380.853 3.082 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)c(Cl)c1Cl ZINC000330901212 565729020 /nfs/dbraw/zinc/72/90/20/565729020.db2.gz RHRWXVVRPCHCFN-UHFFFAOYSA-N -1 3 381.281 3.374 20 0 GGADHM O=C([N-]CC1CCN(Cc2cc(O)ccc2Br)CC1)C(F)(F)F ZINC000281409658 565729468 /nfs/dbraw/zinc/72/94/68/565729468.db2.gz YDWIEQWACOMELC-UHFFFAOYSA-N -1 3 395.219 3.045 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCOCC1 ZINC000281412598 565729973 /nfs/dbraw/zinc/72/99/73/565729973.db2.gz ILYIHOFJSSCEOV-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1noc(Cc2ccccc2)n1 ZINC000175881042 565731161 /nfs/dbraw/zinc/73/11/61/565731161.db2.gz FWKNGJWKCDSMBS-LBPRGKRZSA-N -1 3 377.853 3.353 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCOCC1 ZINC000330994077 565733863 /nfs/dbraw/zinc/73/38/63/565733863.db2.gz OAPWOUHGMVXODJ-ZDUSSCGKSA-N -1 3 380.279 3.072 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000331039086 565736726 /nfs/dbraw/zinc/73/67/26/565736726.db2.gz BKBKSYSFDPTKAX-ZDUSSCGKSA-N -1 3 380.279 3.072 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000331037800 565736775 /nfs/dbraw/zinc/73/67/75/565736775.db2.gz ARHVFVIEAXJEJW-JHJVBQTASA-N -1 3 388.555 3.153 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1F ZINC000193235893 565739927 /nfs/dbraw/zinc/73/99/27/565739927.db2.gz GNWOVDBIZASSPV-UHFFFAOYSA-N -1 3 378.759 3.381 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC1CCN(CCc2ccccc2)CC1 ZINC000176012663 565741129 /nfs/dbraw/zinc/74/11/29/565741129.db2.gz HBRDPCVZNYDUBW-UHFFFAOYSA-N -1 3 394.591 3.116 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000331153415 565741868 /nfs/dbraw/zinc/74/18/68/565741868.db2.gz CKGJMQOZEQFHIK-WDEREUQCSA-N -1 3 379.309 3.061 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1Cl ZINC000281673330 565741943 /nfs/dbraw/zinc/74/19/43/565741943.db2.gz OEBNFIPVDYDMIU-BXUZGUMPSA-N -1 3 382.334 3.326 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000193271225 565742764 /nfs/dbraw/zinc/74/27/64/565742764.db2.gz ZWDDELMZUYGBHR-ZIAGYGMSSA-N -1 3 387.571 3.060 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@H]1C ZINC000331153411 565742834 /nfs/dbraw/zinc/74/28/34/565742834.db2.gz CKGJMQOZEQFHIK-GHMZBOCLSA-N -1 3 379.309 3.061 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000193305842 565743335 /nfs/dbraw/zinc/74/33/35/565743335.db2.gz YQCLOSHPELYOEK-LBPRGKRZSA-N -1 3 380.432 3.472 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000281718778 565743863 /nfs/dbraw/zinc/74/38/63/565743863.db2.gz CCLKRNAZTKQGCV-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000193322956 565744188 /nfs/dbraw/zinc/74/41/88/565744188.db2.gz OAEKXORHLLSIMT-GFCCVEGCSA-N -1 3 384.548 3.303 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)sc1Br ZINC000331204729 565745372 /nfs/dbraw/zinc/74/53/72/565745372.db2.gz CQBZNQPOQHIGAA-SSDOTTSWSA-N -1 3 396.250 3.065 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1Cl ZINC000331208340 565746910 /nfs/dbraw/zinc/74/69/10/565746910.db2.gz VUPGCVVZQHCBAG-UHFFFAOYSA-N -1 3 387.807 3.047 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C1CCOCC1 ZINC000331206310 565747136 /nfs/dbraw/zinc/74/71/36/565747136.db2.gz DPQTVYOXWQXSTE-NSHDSACASA-N -1 3 382.345 3.303 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000331218443 565747233 /nfs/dbraw/zinc/74/72/33/565747233.db2.gz XETTYXJITSVVET-IUODEOHRSA-N -1 3 377.503 3.186 20 0 GGADHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331218528 565747314 /nfs/dbraw/zinc/74/73/14/565747314.db2.gz RYZUBVGJMFOMAT-ZETCQYMHSA-N -1 3 398.735 3.245 20 0 GGADHM Cc1c([C@H](C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)cnn1C ZINC000331225040 565747725 /nfs/dbraw/zinc/74/77/25/565747725.db2.gz XJMVSEJXAJYIOH-LURJTMIESA-N -1 3 398.735 3.245 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)c(Cl)c1Cl ZINC000331219633 565748382 /nfs/dbraw/zinc/74/83/82/565748382.db2.gz AWZCIABQNRRGRU-LLVKDONJSA-N -1 3 381.325 3.153 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCN(C(C)C)C2)c(Cl)c1Cl ZINC000331219634 565748577 /nfs/dbraw/zinc/74/85/77/565748577.db2.gz AWZCIABQNRRGRU-NSHDSACASA-N -1 3 381.325 3.153 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2OC(C)C)c(C)o1 ZINC000176103743 565749304 /nfs/dbraw/zinc/74/93/04/565749304.db2.gz PAXRSLZJVSJUGV-UHFFFAOYSA-N -1 3 386.857 3.189 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1csc(Br)c1 ZINC000176112532 565750233 /nfs/dbraw/zinc/75/02/33/565750233.db2.gz VFMYCPRXDMWBJC-UHFFFAOYSA-N -1 3 398.326 3.472 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1 ZINC000331270834 565750737 /nfs/dbraw/zinc/75/07/37/565750737.db2.gz KYEZGBIXIPANAR-VXGBXAGGSA-N -1 3 377.553 3.186 20 0 GGADHM COCCOc1ccc(Cl)cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000176150951 565753776 /nfs/dbraw/zinc/75/37/76/565753776.db2.gz PAAGSMKJCDJYCQ-UHFFFAOYSA-N -1 3 381.763 3.488 20 0 GGADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1F ZINC000193469097 565754360 /nfs/dbraw/zinc/75/43/60/565754360.db2.gz WFJBCFZGNWFRTO-UHFFFAOYSA-N -1 3 388.214 3.426 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3ccoc3Br)n[nH]2)c(OC)c1 ZINC000193484906 565755511 /nfs/dbraw/zinc/75/55/11/565755511.db2.gz PICXICXLUXJETR-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000176187288 565756172 /nfs/dbraw/zinc/75/61/72/565756172.db2.gz NHGDXENTXDJLTC-LBPRGKRZSA-N -1 3 396.285 3.021 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000176190046 565756286 /nfs/dbraw/zinc/75/62/86/565756286.db2.gz DFCDZJJFHUNWPW-SECBINFHSA-N -1 3 381.192 3.368 20 0 GGADHM COC(=O)c1cnc(SCCC(=O)Nc2ccc(Br)cc2)[n-]1 ZINC000193544701 565759543 /nfs/dbraw/zinc/75/95/43/565759543.db2.gz JFSZOXISSNMXRW-UHFFFAOYSA-N -1 3 384.255 3.080 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCOCC3)C2)c1Cl ZINC000331422848 565759726 /nfs/dbraw/zinc/75/97/26/565759726.db2.gz PCGLNIKPEZXBKB-GFCCVEGCSA-N -1 3 394.320 3.308 20 0 GGADHM COC(=O)c1cnc(SCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[n-]1 ZINC000193536478 565759889 /nfs/dbraw/zinc/75/98/89/565759889.db2.gz FVERLXNKDXTIHN-UHFFFAOYSA-N -1 3 384.248 3.376 20 0 GGADHM C[C@H](N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1(C)CC1 ZINC000176253423 565760232 /nfs/dbraw/zinc/76/02/32/565760232.db2.gz OSDCSLZNAUCGQG-NSHDSACASA-N -1 3 393.336 3.309 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000282060280 565762488 /nfs/dbraw/zinc/76/24/88/565762488.db2.gz ZAFVQOFVPQFWNU-MRVPVSSYSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000282060285 565762626 /nfs/dbraw/zinc/76/26/26/565762626.db2.gz ZAFVQOFVPQFWNU-QMMMGPOBSA-N -1 3 391.262 3.103 20 0 GGADHM O=C(CCCNC(=O)c1ccsc1)Nc1cc(Br)ccc1[O-] ZINC000176432060 565771448 /nfs/dbraw/zinc/77/14/48/565771448.db2.gz SQKPFNGQNBCXFP-UHFFFAOYSA-N -1 3 383.267 3.365 20 0 GGADHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1cc(Br)ccc1[O-])C2 ZINC000176438345 565771493 /nfs/dbraw/zinc/77/14/93/565771493.db2.gz CABDHXOZUCQXRD-LLVKDONJSA-N -1 3 378.222 3.353 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCN1C(=O)c1cccs1 ZINC000176434813 565772003 /nfs/dbraw/zinc/77/20/03/565772003.db2.gz SIFCWEGEXHNEIU-LBPRGKRZSA-N -1 3 395.278 3.460 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)s1 ZINC000282302381 565773444 /nfs/dbraw/zinc/77/34/44/565773444.db2.gz MDFJFAJVEXCKBE-UHFFFAOYSA-N -1 3 383.442 3.066 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000176470165 565775434 /nfs/dbraw/zinc/77/54/34/565775434.db2.gz LIYRTWKGJBINNR-XMMPIXPASA-N -1 3 387.567 3.435 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000282369404 565776192 /nfs/dbraw/zinc/77/61/92/565776192.db2.gz QIQOVRLJFQUMEE-UHFFFAOYSA-N -1 3 396.822 3.184 20 0 GGADHM CN(C(=O)CSc1n[n-]c(=S)s1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176534055 565781642 /nfs/dbraw/zinc/78/16/42/565781642.db2.gz FFUACCCVIVAKMH-CQSZACIVSA-N -1 3 394.591 3.416 20 0 GGADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412343954 565782481 /nfs/dbraw/zinc/78/24/81/565782481.db2.gz WSHRTDHRGMFHQP-MRVPVSSYSA-N -1 3 392.175 3.310 20 0 GGADHM Cc1cc(C(=O)N=c2[nH][n-]cc2Br)cc(C(=O)OC(C)(C)C)c1 ZINC000412342997 565783055 /nfs/dbraw/zinc/78/30/55/565783055.db2.gz VDDIXNWCKDOVCB-UHFFFAOYSA-N -1 3 380.242 3.110 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1ccc(Cl)c(Br)c1 ZINC000193962005 565786329 /nfs/dbraw/zinc/78/63/29/565786329.db2.gz OCBZHZQHBNRZPD-UHFFFAOYSA-N -1 3 378.622 3.010 20 0 GGADHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000331818641 565786579 /nfs/dbraw/zinc/78/65/79/565786579.db2.gz MIBOSJNVOLABFC-CQSZACIVSA-N -1 3 382.917 3.431 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)cs1 ZINC000412414338 565787234 /nfs/dbraw/zinc/78/72/34/565787234.db2.gz BSENPPDTDRENTA-CYBMUJFWSA-N -1 3 381.299 3.132 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc3ccc(C)cc3s2)cc1S(=O)(=O)N(C)C ZINC000176614378 565789926 /nfs/dbraw/zinc/78/99/26/565789926.db2.gz KCPVDFPCHWWPHE-UHFFFAOYSA-N -1 3 379.463 3.009 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194054867 565791699 /nfs/dbraw/zinc/79/16/99/565791699.db2.gz OHVWBXOMZNHQNK-DZGCQCFKSA-N -1 3 383.828 3.100 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000176657673 565792067 /nfs/dbraw/zinc/79/20/67/565792067.db2.gz HCVMBJGSQLOKMH-AAEUAGOBSA-N -1 3 380.539 3.190 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000176657689 565792094 /nfs/dbraw/zinc/79/20/94/565792094.db2.gz HCVMBJGSQLOKMH-DGCLKSJQSA-N -1 3 380.539 3.190 20 0 GGADHM Cc1nc(C)c(CC(=O)NCc2cccc(Br)c2Cl)c(=O)[n-]1 ZINC000412490815 565793318 /nfs/dbraw/zinc/79/33/18/565793318.db2.gz QLZFDYVMKRTXSW-UHFFFAOYSA-N -1 3 384.661 3.074 20 0 GGADHM O=C(CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)NCC1CC1 ZINC000194097452 565794492 /nfs/dbraw/zinc/79/44/92/565794492.db2.gz LHYBIKUBVBXCME-UHFFFAOYSA-N -1 3 375.475 3.004 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c(Cl)c1Cl ZINC000331940104 565795562 /nfs/dbraw/zinc/79/55/62/565795562.db2.gz MUIOFUGFEDOPGL-NSHDSACASA-N -1 3 393.336 3.297 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1Br ZINC000282778942 565796265 /nfs/dbraw/zinc/79/62/65/565796265.db2.gz XZYDZAZKPLDYSD-YPMHNXCESA-N -1 3 394.718 3.338 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)c(Cl)c1Cl ZINC000282805370 565797870 /nfs/dbraw/zinc/79/78/70/565797870.db2.gz RWMNWVHMCMCNIY-LLVKDONJSA-N -1 3 390.292 3.091 20 0 GGADHM Cc1nc(C)c(CC(=O)NCc2cc(Cl)cc(Br)c2)c(=O)[n-]1 ZINC000412621875 565800814 /nfs/dbraw/zinc/80/08/14/565800814.db2.gz IIPXZNIPINKKSL-UHFFFAOYSA-N -1 3 384.661 3.074 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3cc(Br)cc(C)c3C2)on1 ZINC000332091222 565805116 /nfs/dbraw/zinc/80/51/16/565805116.db2.gz BQQASGJIVHTJAP-LBPRGKRZSA-N -1 3 378.270 3.439 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCCC[C@H]2F)cc(C(F)(F)F)c1 ZINC000412673379 565805552 /nfs/dbraw/zinc/80/55/52/565805552.db2.gz OJVQLNUNNKMSRH-CHWSQXEVSA-N -1 3 382.379 3.087 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC2([C@H](O)C(C)C)CC2)c(Cl)c1Cl ZINC000332098990 565806007 /nfs/dbraw/zinc/80/60/07/565806007.db2.gz AOEUGQLKGILUFH-CQSZACIVSA-N -1 3 382.309 3.077 20 0 GGADHM O=S(=O)([N-]Cc1nnc2n1CCCCC2)c1cc2cc(Cl)ccc2s1 ZINC000176819742 565806205 /nfs/dbraw/zinc/80/62/05/565806205.db2.gz MPOGBECBBCQNQT-UHFFFAOYSA-N -1 3 396.925 3.351 20 0 GGADHM C[C@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)c2c([O-])cccc21 ZINC000332106223 565806595 /nfs/dbraw/zinc/80/65/95/565806595.db2.gz DJZCVYCRSUTBBQ-LBPRGKRZSA-N -1 3 391.265 3.247 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCOCC(F)(F)F)sc1Br ZINC000176831900 565807169 /nfs/dbraw/zinc/80/71/69/565807169.db2.gz YOOLLYWWKFYKMR-UHFFFAOYSA-N -1 3 396.250 3.066 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000176827389 565807324 /nfs/dbraw/zinc/80/73/24/565807324.db2.gz JTEOOZDLYBKVLW-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]Cc2ccoc2)cc1Cl ZINC000176844456 565808104 /nfs/dbraw/zinc/80/81/04/565808104.db2.gz XOIBMHCILKHGSJ-UHFFFAOYSA-N -1 3 380.647 3.183 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCOC1 ZINC000332136716 565808315 /nfs/dbraw/zinc/80/83/15/565808315.db2.gz KOKGOFVJKAUMSC-IUCAKERBSA-N -1 3 399.672 3.099 20 0 GGADHM C[C@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@H]1CCOC1 ZINC000332136716 565808320 /nfs/dbraw/zinc/80/83/20/565808320.db2.gz KOKGOFVJKAUMSC-IUCAKERBSA-N -1 3 399.672 3.099 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000332138089 565809694 /nfs/dbraw/zinc/80/96/94/565809694.db2.gz KXOZVEMSYJHGJD-UHFFFAOYSA-N -1 3 394.184 3.398 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000332138089 565809703 /nfs/dbraw/zinc/80/97/03/565809703.db2.gz KXOZVEMSYJHGJD-UHFFFAOYSA-N -1 3 394.184 3.398 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000332138089 565809711 /nfs/dbraw/zinc/80/97/11/565809711.db2.gz KXOZVEMSYJHGJD-UHFFFAOYSA-N -1 3 394.184 3.398 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)s1 ZINC000176863894 565810895 /nfs/dbraw/zinc/81/08/95/565810895.db2.gz AAGUZESRBJHRBZ-UHFFFAOYSA-N -1 3 375.475 3.426 20 0 GGADHM NC(=O)CC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000332428993 565837351 /nfs/dbraw/zinc/83/73/51/565837351.db2.gz GOBNXDUYVULOCH-UHFFFAOYSA-N -1 3 381.679 3.229 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C2CCN([C@@H](C)c3ccccc3)CC2)s1 ZINC000176925457 565815200 /nfs/dbraw/zinc/81/52/00/565815200.db2.gz SVQMGIITLZJBNX-AWEZNQCLSA-N -1 3 379.551 3.264 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2nccs2)sc1Br ZINC000176925908 565815228 /nfs/dbraw/zinc/81/52/28/565815228.db2.gz POIMETQYBQRIQY-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C2CCN([C@H](C)c3ccccc3)CC2)s1 ZINC000176925468 565815264 /nfs/dbraw/zinc/81/52/64/565815264.db2.gz SVQMGIITLZJBNX-CQSZACIVSA-N -1 3 379.551 3.264 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1ccc(Br)s1 ZINC000176937208 565815787 /nfs/dbraw/zinc/81/57/87/565815787.db2.gz XUWPAOQPJFUSCL-UHFFFAOYSA-N -1 3 393.372 3.196 20 0 GGADHM O=S(=O)([N-]CCCOC[C@@H]1CCOC1)c1cc2cc(Cl)ccc2s1 ZINC000176935061 565816358 /nfs/dbraw/zinc/81/63/58/565816358.db2.gz DTVZYNOYRWURBR-LBPRGKRZSA-N -1 3 389.926 3.276 20 0 GGADHM CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000176951172 565817501 /nfs/dbraw/zinc/81/75/01/565817501.db2.gz JVQZBCGYYXVJDK-UHFFFAOYSA-N -1 3 395.955 3.046 20 0 GGADHM O=C(C[C@@H]1CCCCO1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000332249617 565821193 /nfs/dbraw/zinc/82/11/93/565821193.db2.gz CBFFKCXQJDJBAS-JTQLQIEISA-N -1 3 383.221 3.271 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1cc(Br)ccc1Cl ZINC000332261180 565823487 /nfs/dbraw/zinc/82/34/87/565823487.db2.gz CEPXHYVDTAQIOT-VXGBXAGGSA-N -1 3 382.707 3.074 20 0 GGADHM CCOc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000194592226 565825324 /nfs/dbraw/zinc/82/53/24/565825324.db2.gz GZSGBLWMHHRBHU-UHFFFAOYSA-N -1 3 380.535 3.090 20 0 GGADHM C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)[C@@H]1C ZINC000177082301 565827508 /nfs/dbraw/zinc/82/75/08/565827508.db2.gz LJQXMAGJTFVYLJ-VXGBXAGGSA-N -1 3 384.548 3.159 20 0 GGADHM Cn1cnnc1-c1cncc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000194625398 565828120 /nfs/dbraw/zinc/82/81/20/565828120.db2.gz OUAFZMFQYRMWLM-UHFFFAOYSA-N -1 3 398.275 3.126 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC000194642744 565828333 /nfs/dbraw/zinc/82/83/33/565828333.db2.gz JEWKNWNYRXECDJ-UHFFFAOYSA-N -1 3 375.780 3.347 20 0 GGADHM CC(=O)CCCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000283800035 565830282 /nfs/dbraw/zinc/83/02/82/565830282.db2.gz HSKZYYOOSMXMKL-UHFFFAOYSA-N -1 3 376.214 3.196 20 0 GGADHM CC(=O)CCCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000283800035 565830286 /nfs/dbraw/zinc/83/02/86/565830286.db2.gz HSKZYYOOSMXMKL-UHFFFAOYSA-N -1 3 376.214 3.196 20 0 GGADHM CC(=O)CCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000283800035 565830291 /nfs/dbraw/zinc/83/02/91/565830291.db2.gz HSKZYYOOSMXMKL-UHFFFAOYSA-N -1 3 376.214 3.196 20 0 GGADHM CC1(C)Cc2nc([N-]C(=O)c3cnc(C4OCCO4)s3)sc2C(=O)C1 ZINC000283818439 565831434 /nfs/dbraw/zinc/83/14/34/565831434.db2.gz YFFORBCWALCKKO-UHFFFAOYSA-N -1 3 379.463 3.052 20 0 GGADHM CO[C@H](C)CCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000283806360 565831513 /nfs/dbraw/zinc/83/15/13/565831513.db2.gz IIHJEWLADSZOOI-SECBINFHSA-N -1 3 378.230 3.252 20 0 GGADHM CO[C@H](C)CCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000283806360 565831519 /nfs/dbraw/zinc/83/15/19/565831519.db2.gz IIHJEWLADSZOOI-SECBINFHSA-N -1 3 378.230 3.252 20 0 GGADHM CO[C@H](C)CCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000283806360 565831523 /nfs/dbraw/zinc/83/15/23/565831523.db2.gz IIHJEWLADSZOOI-SECBINFHSA-N -1 3 378.230 3.252 20 0 GGADHM O=C(NCC1(N2CCCCC2)CCOCC1)c1c([O-])cc(Cl)cc1Cl ZINC000177158622 565831781 /nfs/dbraw/zinc/83/17/81/565831781.db2.gz MUVZCPDRIDYYMD-UHFFFAOYSA-N -1 3 387.307 3.464 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000177177872 565833318 /nfs/dbraw/zinc/83/33/18/565833318.db2.gz NWPRGWWINBHVSW-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H](c1ccccc1)C1CCCC1 ZINC000194747974 565833740 /nfs/dbraw/zinc/83/37/40/565833740.db2.gz PXMBORYCBIJSQI-GOSISDBHSA-N -1 3 378.519 3.074 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000194747958 565833806 /nfs/dbraw/zinc/83/38/06/565833806.db2.gz PXMBORYCBIJSQI-SFHVURJKSA-N -1 3 378.519 3.074 20 0 GGADHM CCOCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194760942 565834769 /nfs/dbraw/zinc/83/47/69/565834769.db2.gz PLSCXDZYGBZBRN-UHFFFAOYSA-N -1 3 390.221 3.173 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1)c1cc(C(F)(F)F)ccc1Br ZINC000194760217 565834875 /nfs/dbraw/zinc/83/48/75/565834875.db2.gz HDIIFNUVBJCEFC-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cc2c(cc1Cl)OCCO2 ZINC000332456579 565838330 /nfs/dbraw/zinc/83/83/30/565838330.db2.gz NUPGOUYLPCPFNJ-SNVBAGLBSA-N -1 3 381.828 3.215 20 0 GGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194796604 565838441 /nfs/dbraw/zinc/83/84/41/565838441.db2.gz LJTRTVSEDDMTII-ZETCQYMHSA-N -1 3 392.262 3.498 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000332451970 565838450 /nfs/dbraw/zinc/83/84/50/565838450.db2.gz HKTWWOKDCSROSV-NSHDSACASA-N -1 3 394.306 3.055 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)cn1 ZINC000194820501 565840703 /nfs/dbraw/zinc/84/07/03/565840703.db2.gz SYNZENHBQQMXGJ-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM CCO[C@@H]1C[C@@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000284067493 565841202 /nfs/dbraw/zinc/84/12/02/565841202.db2.gz UNXFNAZAUVYAOG-WDEREUQCSA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@@H]1C[C@@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000284067493 565841205 /nfs/dbraw/zinc/84/12/05/565841205.db2.gz UNXFNAZAUVYAOG-WDEREUQCSA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@@H]1C[C@@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000284067493 565841210 /nfs/dbraw/zinc/84/12/10/565841210.db2.gz UNXFNAZAUVYAOG-WDEREUQCSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCC1(F)F ZINC000332505834 565841393 /nfs/dbraw/zinc/84/13/93/565841393.db2.gz IBBPBSALSXMNEH-VIFPVBQESA-N -1 3 385.208 3.408 20 0 GGADHM NC(=O)C[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332517506 565841422 /nfs/dbraw/zinc/84/14/22/565841422.db2.gz KOJWMPCUXYPIGK-LLVKDONJSA-N -1 3 392.253 3.211 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC000332504803 565841472 /nfs/dbraw/zinc/84/14/72/565841472.db2.gz XUWWJGDVQCZZRE-NSHDSACASA-N -1 3 394.306 3.055 20 0 GGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@H](C(N)=O)C1 ZINC000332536737 565842630 /nfs/dbraw/zinc/84/26/30/565842630.db2.gz YTBCLCWXWUWNSS-OTYXRUKQSA-N -1 3 392.253 3.067 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2[O-])[C@H](C(N)=O)C1 ZINC000332536737 565842633 /nfs/dbraw/zinc/84/26/33/565842633.db2.gz YTBCLCWXWUWNSS-OTYXRUKQSA-N -1 3 392.253 3.067 20 0 GGADHM NC(=O)C[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000332530511 565842714 /nfs/dbraw/zinc/84/27/14/565842714.db2.gz VEOMPGXGIUUNJF-JTQLQIEISA-N -1 3 392.253 3.068 20 0 GGADHM CCOC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000332528133 565842736 /nfs/dbraw/zinc/84/27/36/565842736.db2.gz TZFFQHZVWSNRPP-LBPRGKRZSA-N -1 3 393.281 3.179 20 0 GGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@@H](C(N)=O)C1 ZINC000332536734 565842789 /nfs/dbraw/zinc/84/27/89/565842789.db2.gz YTBCLCWXWUWNSS-LKFCYVNXSA-N -1 3 392.253 3.067 20 0 GGADHM C[C@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2[O-])[C@@H](C(N)=O)C1 ZINC000332536734 565842791 /nfs/dbraw/zinc/84/27/91/565842791.db2.gz YTBCLCWXWUWNSS-LKFCYVNXSA-N -1 3 392.253 3.067 20 0 GGADHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332524493 565842839 /nfs/dbraw/zinc/84/28/39/565842839.db2.gz RFXCSTMTQURLCT-ZJUUUORDSA-N -1 3 392.253 3.067 20 0 GGADHM CO[C@@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000332531615 565842854 /nfs/dbraw/zinc/84/28/54/565842854.db2.gz GHACJGRCRYMJCQ-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM CO[C@@H]1CCCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000332531615 565842861 /nfs/dbraw/zinc/84/28/61/565842861.db2.gz GHACJGRCRYMJCQ-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM CC[C@H]1COCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332532758 565843297 /nfs/dbraw/zinc/84/32/97/565843297.db2.gz WJYIZZXPRYMWHK-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM CC[C@H]1COCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332532758 565843300 /nfs/dbraw/zinc/84/33/00/565843300.db2.gz WJYIZZXPRYMWHK-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)sc1Br ZINC000332558920 565843759 /nfs/dbraw/zinc/84/37/59/565843759.db2.gz NIFSZDKCILJFLX-NSHDSACASA-N -1 3 398.344 3.031 20 0 GGADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000332540614 565844090 /nfs/dbraw/zinc/84/40/90/565844090.db2.gz XKEMITXPLKHKDV-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCO1 ZINC000332540614 565844095 /nfs/dbraw/zinc/84/40/95/565844095.db2.gz XKEMITXPLKHKDV-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]C[C@H]3CCCC[C@H]3C(F)(F)F)cc12 ZINC000332567692 565845007 /nfs/dbraw/zinc/84/50/07/565845007.db2.gz UYOCTPUEPPCMNB-ZWNOBZJWSA-N -1 3 377.388 3.178 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000332585190 565845109 /nfs/dbraw/zinc/84/51/09/565845109.db2.gz HHPGLBCNFCAHNJ-DZGCQCFKSA-N -1 3 386.514 3.053 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000332600653 565846256 /nfs/dbraw/zinc/84/62/56/565846256.db2.gz GXMKWPIELOEBCO-CHWSQXEVSA-N -1 3 395.352 3.161 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCc2nccn2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000332618785 565847339 /nfs/dbraw/zinc/84/73/39/565847339.db2.gz TVAUAZBBZISKMI-VIFPVBQESA-N -1 3 394.711 3.384 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000332624749 565848409 /nfs/dbraw/zinc/84/84/09/565848409.db2.gz RXXPQAUWZFCZDS-STQMWFEESA-N -1 3 386.514 3.053 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000332624746 565848777 /nfs/dbraw/zinc/84/87/77/565848777.db2.gz RXXPQAUWZFCZDS-QWHCGFSZSA-N -1 3 386.514 3.053 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000413389137 565849497 /nfs/dbraw/zinc/84/94/97/565849497.db2.gz SUEJIEJLHLXLIC-GOEBONIOSA-N -1 3 391.265 3.172 20 0 GGADHM C[C@@H]1COCC[C@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000332670065 565851223 /nfs/dbraw/zinc/85/12/23/565851223.db2.gz PEGVEJTYRZLEPQ-NOZJJQNGSA-N -1 3 382.233 3.011 20 0 GGADHM COc1ccc(N[C@@H](C)c2cnc(OC)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000284381170 565851505 /nfs/dbraw/zinc/85/15/05/565851505.db2.gz OSVGTXREWKVTAW-JTQLQIEISA-N -1 3 385.873 3.297 20 0 GGADHM C[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCO1 ZINC000332687987 565853721 /nfs/dbraw/zinc/85/37/21/565853721.db2.gz UMCQGOIFUWUHLR-UWVGGRQHSA-N -1 3 382.233 3.154 20 0 GGADHM C[C@H]1C[C@H](NC(=O)CSc2n[n-]c(=S)s2)CCN1Cc1ccccc1 ZINC000177476338 565853869 /nfs/dbraw/zinc/85/38/69/565853869.db2.gz VDSOCXDVTRISAO-GXTWGEPZSA-N -1 3 394.591 3.462 20 0 GGADHM C[C@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCO1 ZINC000332701363 565853893 /nfs/dbraw/zinc/85/38/93/565853893.db2.gz WZNGBWDOEMLUIB-DTWKUNHWSA-N -1 3 383.221 3.127 20 0 GGADHM COc1ccc(CS(=O)(=O)Cc2n[n-]c(-c3cccs3)n2)cc1Cl ZINC000195061733 565856031 /nfs/dbraw/zinc/85/60/31/565856031.db2.gz VHWWAGMSJBHCMH-UHFFFAOYSA-N -1 3 383.882 3.310 20 0 GGADHM COc1ccc(CS(=O)(=O)Cc2nnc(-c3cccs3)[n-]2)cc1Cl ZINC000195061733 565856037 /nfs/dbraw/zinc/85/60/37/565856037.db2.gz VHWWAGMSJBHCMH-UHFFFAOYSA-N -1 3 383.882 3.310 20 0 GGADHM COc1ccc(CS(=O)(=O)Cc2nc(-c3cccs3)n[n-]2)cc1Cl ZINC000195061733 565856038 /nfs/dbraw/zinc/85/60/38/565856038.db2.gz VHWWAGMSJBHCMH-UHFFFAOYSA-N -1 3 383.882 3.310 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CC1 ZINC000177536036 565857595 /nfs/dbraw/zinc/85/75/95/565857595.db2.gz RQPRFQDQPRUDEG-UHFFFAOYSA-N -1 3 388.308 3.487 20 0 GGADHM Cc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ccc1Cl ZINC000177539167 565858440 /nfs/dbraw/zinc/85/84/40/565858440.db2.gz KBIBNXNGXUZGCE-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[C@@]12CCCO2 ZINC000333031321 565860990 /nfs/dbraw/zinc/86/09/90/565860990.db2.gz OIIKXQMZZWSIHW-XNJGSVPQSA-N -1 3 381.885 3.248 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000333021264 565861375 /nfs/dbraw/zinc/86/13/75/565861375.db2.gz JBNTXNFPMISVOL-CQSZACIVSA-N -1 3 385.580 3.012 20 0 GGADHM CCn1cc(Br)c(=O)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000333044008 565862674 /nfs/dbraw/zinc/86/26/74/565862674.db2.gz JZYKJWZYDDGAPG-UHFFFAOYSA-N -1 3 391.265 3.467 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000177642785 565864052 /nfs/dbraw/zinc/86/40/52/565864052.db2.gz KGAFLWLWTFGCFM-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000177639247 565864393 /nfs/dbraw/zinc/86/43/93/565864393.db2.gz SCLWQDXVXPXFFA-MRVPVSSYSA-N -1 3 391.276 3.294 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)o1 ZINC000177635546 565864427 /nfs/dbraw/zinc/86/44/27/565864427.db2.gz LGNSWNHVISJSJB-MRVPVSSYSA-N -1 3 391.276 3.294 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3cn4c(n3)CCC[C@H]4C)CCCC2)n1 ZINC000333096763 565865966 /nfs/dbraw/zinc/86/59/66/565865966.db2.gz BULKQZDMDXKMLA-CYBMUJFWSA-N -1 3 380.539 3.293 20 0 GGADHM CC[C@H](C)NC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000195205643 565866368 /nfs/dbraw/zinc/86/63/68/565866368.db2.gz GGTUVMKSUKVPKG-JTQLQIEISA-N -1 3 377.491 3.393 20 0 GGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCSc4ccc(F)cc43)cn21 ZINC000333173520 565868829 /nfs/dbraw/zinc/86/88/29/565868829.db2.gz OEHXZMXVNCSFRW-FZMZJTMJSA-N -1 3 381.498 3.435 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)cc1Cl ZINC000177727257 565869849 /nfs/dbraw/zinc/86/98/49/565869849.db2.gz QVNCYDFRCZIKMU-UHFFFAOYSA-N -1 3 386.260 3.128 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1C ZINC000177719041 565870191 /nfs/dbraw/zinc/87/01/91/565870191.db2.gz FNWUWEYRTJZOKN-UHFFFAOYSA-N -1 3 376.356 3.026 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c(F)cc1Br ZINC000333197421 565871185 /nfs/dbraw/zinc/87/11/85/565871185.db2.gz ULRKDGGHHJOGTR-SMDDNHRTSA-N -1 3 392.290 3.133 20 0 GGADHM CCC[C@@H](CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000195332067 565876437 /nfs/dbraw/zinc/87/64/37/565876437.db2.gz CTCOLYBARFNOEB-LLVKDONJSA-N -1 3 381.325 3.357 20 0 GGADHM CCc1cc(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)ccc1[O-] ZINC000413877880 565878978 /nfs/dbraw/zinc/87/89/78/565878978.db2.gz DXWMLQYATBADCJ-UHFFFAOYSA-N -1 3 381.881 3.332 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC(=O)Nc2ccc(Br)cc2C)n1 ZINC000177913721 565880052 /nfs/dbraw/zinc/88/00/52/565880052.db2.gz BKLCAZQBMQJJQH-LBPRGKRZSA-N -1 3 393.285 3.193 20 0 GGADHM CC(C)c1nc(C2([N-]S(=O)(=O)C[C@@H]3CCCC3(F)F)CCCC2)no1 ZINC000333402039 565880549 /nfs/dbraw/zinc/88/05/49/565880549.db2.gz ITIGGWMQIOFOGP-LBPRGKRZSA-N -1 3 377.457 3.317 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCCN1C1CCCCC1 ZINC000333403757 565880798 /nfs/dbraw/zinc/88/07/98/565880798.db2.gz CBOLSIIEMRZPEV-GFCCVEGCSA-N -1 3 376.931 3.004 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@H](c3cccc(Br)c3)C2)n1 ZINC000177920533 565881493 /nfs/dbraw/zinc/88/14/93/565881493.db2.gz GWPLZHCOAREMHY-WFASDCNBSA-N -1 3 378.270 3.388 20 0 GGADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)s1 ZINC000195498462 565887959 /nfs/dbraw/zinc/88/79/59/565887959.db2.gz VVDCRGSMMPCMGJ-UHFFFAOYSA-N -1 3 382.517 3.305 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000178019105 565890470 /nfs/dbraw/zinc/89/04/70/565890470.db2.gz PLPHBQZWZIJHIZ-LLVKDONJSA-N -1 3 395.219 3.045 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1cc(Br)ccc1F ZINC000333680802 565892874 /nfs/dbraw/zinc/89/28/74/565892874.db2.gz LGFFHZUBDNUJBV-LLVKDONJSA-N -1 3 392.290 3.216 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nncn1C ZINC000285275367 565897595 /nfs/dbraw/zinc/89/75/95/565897595.db2.gz JWUYRBOBDVDGEN-NSHDSACASA-N -1 3 397.715 3.451 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1nncn1C ZINC000285336394 565901378 /nfs/dbraw/zinc/90/13/78/565901378.db2.gz OVXWJXXGMSSBLY-LBPRGKRZSA-N -1 3 396.822 3.163 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)sc1Cl ZINC000333893154 565901464 /nfs/dbraw/zinc/90/14/64/565901464.db2.gz HITPILIBFNRHOK-CMPLNLGQSA-N -1 3 393.939 3.323 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCCC1 ZINC000219281027 565902285 /nfs/dbraw/zinc/90/22/85/565902285.db2.gz HREOUEKXIKUPRG-UHFFFAOYSA-N -1 3 379.400 3.250 20 0 GGADHM COc1ccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c(Br)c1[O-] ZINC000414190989 565902919 /nfs/dbraw/zinc/90/29/19/565902919.db2.gz UGEKMGDHGMCWBN-CQSZACIVSA-N -1 3 385.302 3.418 20 0 GGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000221258093 565903930 /nfs/dbraw/zinc/90/39/30/565903930.db2.gz WOPZVUFXBOOVNX-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM C[C@H](Cn1cccn1)NCc1cc(Br)c([O-])c(Br)c1 ZINC000221838995 565904561 /nfs/dbraw/zinc/90/45/61/565904561.db2.gz STLOOQISRRXXRA-SECBINFHSA-N -1 3 389.091 3.292 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1nncn1C ZINC000285427025 565906772 /nfs/dbraw/zinc/90/67/72/565906772.db2.gz WFUVLCLXSWFXBY-LBPRGKRZSA-N -1 3 396.822 3.163 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333989387 565907657 /nfs/dbraw/zinc/90/76/57/565907657.db2.gz JAHZTXWHCNQDPJ-GOEBONIOSA-N -1 3 397.313 3.237 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000334001887 565908759 /nfs/dbraw/zinc/90/87/59/565908759.db2.gz SDTCOFPVZRXPTD-WBVHZDCISA-N -1 3 381.270 3.008 20 0 GGADHM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1CCN([C@@H]2CCSC2)CC1 ZINC000334028102 565909521 /nfs/dbraw/zinc/90/95/21/565909521.db2.gz IXODSOLOAJVNCI-GFCCVEGCSA-N -1 3 396.969 3.370 20 0 GGADHM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1CCN([C@H]2CCSC2)CC1 ZINC000334028103 565909722 /nfs/dbraw/zinc/90/97/22/565909722.db2.gz IXODSOLOAJVNCI-LBPRGKRZSA-N -1 3 396.969 3.370 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1ccccn1)C1CC1 ZINC000178270408 565910018 /nfs/dbraw/zinc/91/00/18/565910018.db2.gz ODNAUUGJZCBXKX-UHFFFAOYSA-N -1 3 376.254 3.424 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Br)CC1 ZINC000224011918 565910099 /nfs/dbraw/zinc/91/00/99/565910099.db2.gz UWHACRLBMXFLFW-UHFFFAOYSA-N -1 3 383.105 3.290 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccn4ccnc4c3)s2)cs1 ZINC000178372141 565915257 /nfs/dbraw/zinc/91/52/57/565915257.db2.gz YSZMVADKEXRYFG-UHFFFAOYSA-N -1 3 390.515 3.306 20 0 GGADHM Cc1nn(C)c(S(=O)(=O)[N-]c2c(F)cccc2Br)c1C(F)F ZINC000414371407 565917605 /nfs/dbraw/zinc/91/76/05/565917605.db2.gz IKFNIMSXWPHRAY-UHFFFAOYSA-N -1 3 398.204 3.369 20 0 GGADHM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cc(F)cc2nn[n-]c21 ZINC000285636116 565918672 /nfs/dbraw/zinc/91/86/72/565918672.db2.gz FNURAWAHQDDKOL-CQSZACIVSA-N -1 3 390.216 3.136 20 0 GGADHM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cc(F)cc2[n-]nnc21 ZINC000285636116 565918676 /nfs/dbraw/zinc/91/86/76/565918676.db2.gz FNURAWAHQDDKOL-CQSZACIVSA-N -1 3 390.216 3.136 20 0 GGADHM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cc(F)cc2n[n-]nc21 ZINC000285636116 565918682 /nfs/dbraw/zinc/91/86/82/565918682.db2.gz FNURAWAHQDDKOL-CQSZACIVSA-N -1 3 390.216 3.136 20 0 GGADHM COc1ccc(OCCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178452465 565920001 /nfs/dbraw/zinc/92/00/01/565920001.db2.gz SGOWJIHIOKJOGE-UHFFFAOYSA-N -1 3 395.253 3.042 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@H]2[C@@H]2CCCO2)cc(Br)c1[O-] ZINC000285662017 565920258 /nfs/dbraw/zinc/92/02/58/565920258.db2.gz CYOFVEGRRQIQSD-KXLSMFKISA-N -1 3 396.281 3.347 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@H]2[C@H]2CCCO2)cc(Br)c1[O-] ZINC000285662019 565920415 /nfs/dbraw/zinc/92/04/15/565920415.db2.gz CYOFVEGRRQIQSD-MFHOCJEASA-N -1 3 396.281 3.347 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1SC ZINC000414384517 565921029 /nfs/dbraw/zinc/92/10/29/565921029.db2.gz CGJPOFXPOSOQJF-UHFFFAOYSA-N -1 3 381.475 3.379 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@@H]2[C@H]2CCCO2)cc(Br)c1[O-] ZINC000285662021 565920957 /nfs/dbraw/zinc/92/09/57/565920957.db2.gz CYOFVEGRRQIQSD-WLBISTCBSA-N -1 3 396.281 3.347 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1F ZINC000414385111 565921259 /nfs/dbraw/zinc/92/12/59/565921259.db2.gz DSNYPJKNGIUXSQ-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000178485909 565921407 /nfs/dbraw/zinc/92/14/07/565921407.db2.gz FNTSJDXKCHOMEO-CHWSQXEVSA-N -1 3 387.571 3.060 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000226824328 565922132 /nfs/dbraw/zinc/92/21/32/565922132.db2.gz PQZNNMAIXTVYLE-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)s1 ZINC000178485930 565922392 /nfs/dbraw/zinc/92/23/92/565922392.db2.gz FNTSJDXKCHOMEO-OLZOCXBDSA-N -1 3 387.571 3.060 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H](C)C2CCCCC2)s1 ZINC000178485922 565922439 /nfs/dbraw/zinc/92/24/39/565922439.db2.gz FNTSJDXKCHOMEO-QWHCGFSZSA-N -1 3 387.571 3.060 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2Cl)cc1 ZINC000414395966 565923176 /nfs/dbraw/zinc/92/31/76/565923176.db2.gz NUVJVRMJXQDHBI-UHFFFAOYSA-N -1 3 385.869 3.347 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1csc2ccccc12 ZINC000178515364 565923285 /nfs/dbraw/zinc/92/32/85/565923285.db2.gz WCPMDURTZGVLEO-UHFFFAOYSA-N -1 3 381.500 3.270 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2csc(C)n2)sc1Br ZINC000227377709 565923390 /nfs/dbraw/zinc/92/33/90/565923390.db2.gz ARZXXJAMSZQRCD-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000178546305 565925385 /nfs/dbraw/zinc/92/53/85/565925385.db2.gz SICFPVJFTWDYHJ-UHFFFAOYSA-N -1 3 388.898 3.105 20 0 GGADHM Cc1cccc(C)c1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178551780 565925714 /nfs/dbraw/zinc/92/57/14/565925714.db2.gz NGQYBBDAVLYWHY-UHFFFAOYSA-N -1 3 377.238 3.026 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCOCC(F)(F)F)cc(F)c1Br ZINC000414416081 565926451 /nfs/dbraw/zinc/92/64/51/565926451.db2.gz VHTQGMJDRYJYQQ-UHFFFAOYSA-N -1 3 394.184 3.217 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000178566018 565926996 /nfs/dbraw/zinc/92/69/96/565926996.db2.gz AYOYOKQSHFDTMF-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM Cc1nc(C)c(Cc2nc(Cc3cc(F)cc(Br)c3)no2)c(=O)[n-]1 ZINC000349780053 565929059 /nfs/dbraw/zinc/92/90/59/565929059.db2.gz ULZRYYWKZCPBGK-UHFFFAOYSA-N -1 3 393.216 3.265 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000230628606 565929697 /nfs/dbraw/zinc/92/96/97/565929697.db2.gz XYLQFXDBNWCYOI-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1ccc(Br)c(F)c1 ZINC000230606958 565929717 /nfs/dbraw/zinc/92/97/17/565929717.db2.gz VANNPDWCELQMDY-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232495469 565932460 /nfs/dbraw/zinc/93/24/60/565932460.db2.gz JSKRYZWWVMXJBE-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM CC1(C)[C@H](O)C[C@@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000232768004 565933627 /nfs/dbraw/zinc/93/36/27/565933627.db2.gz XZFLXFKZBSCNFP-WDEREUQCSA-N -1 3 379.092 3.166 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000233785087 565933924 /nfs/dbraw/zinc/93/39/24/565933924.db2.gz PNGJEZZDDFPDGR-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3cncs3)no2)cc(C(F)(F)F)c1 ZINC000350276757 565935182 /nfs/dbraw/zinc/93/51/82/565935182.db2.gz TYDQMNDEAXZIGO-UHFFFAOYSA-N -1 3 390.368 3.250 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1C ZINC000414462625 565937266 /nfs/dbraw/zinc/93/72/66/565937266.db2.gz QCENWMOVIGTCCQ-UHFFFAOYSA-N -1 3 382.507 3.014 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1ccc(Cl)c(Br)c1 ZINC000236053885 565937839 /nfs/dbraw/zinc/93/78/39/565937839.db2.gz IBKIHKIRTQWXFX-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000414470068 565939040 /nfs/dbraw/zinc/93/90/40/565939040.db2.gz NPYPYVFVYXUEIQ-UHFFFAOYSA-N -1 3 383.688 3.298 20 0 GGADHM CCOc1cc(-c2noc(CCc3cncn3C)n2)cc(Br)c1[O-] ZINC000350587581 565939076 /nfs/dbraw/zinc/93/90/76/565939076.db2.gz XGTXBTIMSZYXQV-UHFFFAOYSA-N -1 3 393.241 3.122 20 0 GGADHM COc1cc(OCCN(C)C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000414471182 565939095 /nfs/dbraw/zinc/93/90/95/565939095.db2.gz KKJSIOWXFGFCCK-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)Cn2ccnc2C)c(Cl)c1Cl ZINC000414468560 565939356 /nfs/dbraw/zinc/93/93/56/565939356.db2.gz KJKHZFIZDRKUAC-SNVBAGLBSA-N -1 3 392.308 3.122 20 0 GGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000414469750 565939382 /nfs/dbraw/zinc/93/93/82/565939382.db2.gz MREPNCKAFRNBQJ-VIFPVBQESA-N -1 3 380.272 3.252 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(F)c1 ZINC000414475246 565940123 /nfs/dbraw/zinc/94/01/23/565940123.db2.gz UTTYSJDXVIEDCZ-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COc1cc(OCCN(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000414472150 565940159 /nfs/dbraw/zinc/94/01/59/565940159.db2.gz NQSOPWGCJSJXJJ-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000178858997 565941870 /nfs/dbraw/zinc/94/18/70/565941870.db2.gz CGQPVAZHAUULGB-UHFFFAOYSA-N -1 3 380.275 3.374 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000178892470 565943706 /nfs/dbraw/zinc/94/37/06/565943706.db2.gz KHKYYQLHNBGUHT-AWEZNQCLSA-N -1 3 388.258 3.254 20 0 GGADHM CCn1nccc1C=C(Cl)c1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000178877134 565944041 /nfs/dbraw/zinc/94/40/41/565944041.db2.gz MYEKNFCHLAIGLD-YFHOEESVSA-N -1 3 378.841 3.033 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000178983957 565950294 /nfs/dbraw/zinc/95/02/94/565950294.db2.gz LIPBDLCFXLNBLW-UHFFFAOYSA-N -1 3 379.821 3.351 20 0 GGADHM CCc1nc([N-]C(=O)c2cc3sc(N(C)C)nc3s2)sc1C(=O)OC ZINC000179010038 565952031 /nfs/dbraw/zinc/95/20/31/565952031.db2.gz DDLFFFALGNZAKH-UHFFFAOYSA-N -1 3 396.519 3.482 20 0 GGADHM COc1cc(CN(C)CCCC(=O)[O-])cc(Br)c1OC(F)F ZINC000414634349 565952508 /nfs/dbraw/zinc/95/25/08/565952508.db2.gz BNODGUINZFZVEZ-UHFFFAOYSA-N -1 3 382.201 3.356 20 0 GGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCCCc2c(Cl)cccc2Cl)C1=O ZINC000414658419 565953173 /nfs/dbraw/zinc/95/31/73/565953173.db2.gz MUKXLIZEAKZCKD-JKSUJKDBSA-N -1 3 387.307 3.226 20 0 GGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](N[C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1=O ZINC000414656342 565953538 /nfs/dbraw/zinc/95/35/38/565953538.db2.gz KOQVSNKFBHDQDJ-ZUSNOYAUSA-N -1 3 384.929 3.193 20 0 GGADHM CC(C)(C)CC[C@@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000414649742 565953571 /nfs/dbraw/zinc/95/35/71/565953571.db2.gz FARJFKLHUPBZDP-CQSZACIVSA-N -1 3 395.301 3.399 20 0 GGADHM CC(C)(C)CC[C@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000414649736 565953608 /nfs/dbraw/zinc/95/36/08/565953608.db2.gz FARJFKLHUPBZDP-AWEZNQCLSA-N -1 3 395.301 3.399 20 0 GGADHM CCS[C@@H]1CCC[C@H]1NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373129 565956164 /nfs/dbraw/zinc/95/61/64/565956164.db2.gz YTJNBSKMPGVICX-GHMZBOCLSA-N -1 3 381.523 3.256 20 0 GGADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179094054 565957722 /nfs/dbraw/zinc/95/77/22/565957722.db2.gz GTZGJYYFFDESLN-UHFFFAOYSA-N -1 3 392.893 3.115 20 0 GGADHM COc1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1Cl ZINC000179141618 565959617 /nfs/dbraw/zinc/95/96/17/565959617.db2.gz WPEYLYPKPMAVFN-DEOSSOPVSA-N -1 3 380.775 3.312 20 0 GGADHM COc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1Cl ZINC000179141607 565960201 /nfs/dbraw/zinc/96/02/01/565960201.db2.gz WPEYLYPKPMAVFN-XMMPIXPASA-N -1 3 380.775 3.312 20 0 GGADHM CCOC(=O)C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(C)=O ZINC000286490871 565963945 /nfs/dbraw/zinc/96/39/45/565963945.db2.gz HZVLFANJNSZNAC-ZDUSSCGKSA-N -1 3 383.857 3.040 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1nccs1 ZINC000286726864 565976853 /nfs/dbraw/zinc/97/68/53/565976853.db2.gz BYLMOIIRIHHMFK-UHFFFAOYSA-N -1 3 384.376 3.394 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)c(Cl)cc2F)ccc1F ZINC000179377088 565977649 /nfs/dbraw/zinc/97/76/49/565977649.db2.gz BPSMLQKTAHAAML-UHFFFAOYSA-N -1 3 378.759 3.381 20 0 GGADHM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474461 565983250 /nfs/dbraw/zinc/98/32/50/565983250.db2.gz KJGNDMPOZFOIGF-GFCCVEGCSA-N -1 3 391.269 3.170 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000244009868 565986071 /nfs/dbraw/zinc/98/60/71/565986071.db2.gz SKDMOGLNDLJKEK-LLVKDONJSA-N -1 3 399.299 3.250 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(C(F)(F)F)cc1 ZINC000244144824 565986198 /nfs/dbraw/zinc/98/61/98/565986198.db2.gz URKNSJSFBSZROS-UHFFFAOYSA-N -1 3 398.815 3.337 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(C(F)(F)F)c1 ZINC000244037064 565986727 /nfs/dbraw/zinc/98/67/27/565986727.db2.gz SWKCIVHJFPOSQM-UHFFFAOYSA-N -1 3 398.815 3.337 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1sccc1Br ZINC000179536804 565987438 /nfs/dbraw/zinc/98/74/38/565987438.db2.gz FXZCEXIMSQKZKL-UHFFFAOYSA-N -1 3 382.251 3.408 20 0 GGADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000179542465 565987812 /nfs/dbraw/zinc/98/78/12/565987812.db2.gz CFFMGGLTPZIZBV-UHFFFAOYSA-N -1 3 397.250 3.003 20 0 GGADHM CC1(C)CC[C@@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000286940770 565988318 /nfs/dbraw/zinc/98/83/18/565988318.db2.gz FDBQWHYCVCXBDA-ZDUSSCGKSA-N -1 3 396.228 3.463 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000245539127 565994200 /nfs/dbraw/zinc/99/42/00/565994200.db2.gz JOLUSVGICNEIEO-TZTCFGBESA-N -1 3 392.304 3.238 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000245558301 565995858 /nfs/dbraw/zinc/99/58/58/565995858.db2.gz BEEZWCYVEOSORH-DOFRTFSJSA-N -1 3 382.707 3.337 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000179647533 565996130 /nfs/dbraw/zinc/99/61/30/565996130.db2.gz NOYBDXUIASLYQB-UHFFFAOYSA-N -1 3 387.292 3.256 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000179647533 565996135 /nfs/dbraw/zinc/99/61/35/565996135.db2.gz NOYBDXUIASLYQB-UHFFFAOYSA-N -1 3 387.292 3.256 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000179647533 565996139 /nfs/dbraw/zinc/99/61/39/565996139.db2.gz NOYBDXUIASLYQB-UHFFFAOYSA-N -1 3 387.292 3.256 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Br)ccc1O ZINC000179655454 565996403 /nfs/dbraw/zinc/99/64/03/565996403.db2.gz YYUMGMYTJGLVTF-UHFFFAOYSA-N -1 3 380.242 3.096 20 0 GGADHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655143 565996457 /nfs/dbraw/zinc/99/64/57/565996457.db2.gz VNLVKEMOHKRXHP-NSHDSACASA-N -1 3 387.299 3.041 20 0 GGADHM CN1C(=O)CCc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc21 ZINC000179657482 565997407 /nfs/dbraw/zinc/99/74/07/565997407.db2.gz MVISRNVGHZLREJ-UHFFFAOYSA-N -1 3 375.222 3.316 20 0 GGADHM O=C(CC1(N2CCOCC2)CCCC1)Nc1cc(Br)ccc1[O-] ZINC000179656273 565997848 /nfs/dbraw/zinc/99/78/48/565997848.db2.gz DTFMIZYEYPZJAO-UHFFFAOYSA-N -1 3 383.286 3.128 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)sc1Br ZINC000245569677 565997834 /nfs/dbraw/zinc/99/78/34/565997834.db2.gz YQSXVHAMNPCHPO-YUSALJHKSA-N -1 3 392.340 3.055 20 0 GGADHM C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)[C@@H](CN)C1 ZINC000415507389 566000891 /nfs/dbraw/zinc/00/08/91/566000891.db2.gz CWYQTIYAJHTKLX-NXEZZACHSA-N -1 3 383.880 3.011 20 0 GGADHM NC[C@@H](NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)C1CCCC1 ZINC000415513094 566002365 /nfs/dbraw/zinc/00/23/65/566002365.db2.gz WNFRNHPTSLDYOE-GFCCVEGCSA-N -1 3 383.880 3.059 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)c1ccc(Br)cc1[O-] ZINC000179769840 566007336 /nfs/dbraw/zinc/00/73/36/566007336.db2.gz NICNUVDRRANZLG-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM CCn1cc(Br)cc1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000179774800 566007895 /nfs/dbraw/zinc/00/78/95/566007895.db2.gz KBOPCLOIPZTTPO-UHFFFAOYSA-N -1 3 391.225 3.186 20 0 GGADHM CCn1cc(Br)cc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000179774800 566007900 /nfs/dbraw/zinc/00/79/00/566007900.db2.gz KBOPCLOIPZTTPO-UHFFFAOYSA-N -1 3 391.225 3.186 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@H]2c2cccs2)ccc1F ZINC000287287264 566008771 /nfs/dbraw/zinc/00/87/71/566008771.db2.gz SAISUHHJGTZSPR-ZDUSSCGKSA-N -1 3 383.470 3.164 20 0 GGADHM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[C@@H](CN)C1 ZINC000415628145 566009589 /nfs/dbraw/zinc/00/95/89/566009589.db2.gz DXPJLWOSCBYDCJ-GXSJLCMTSA-N -1 3 383.880 3.011 20 0 GGADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CCCC1 ZINC000179829544 566011243 /nfs/dbraw/zinc/01/12/43/566011243.db2.gz RMPBGHPFLLKHEL-UHFFFAOYSA-N -1 3 396.228 3.147 20 0 GGADHM CC[C@@H](C)[C@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179869774 566014994 /nfs/dbraw/zinc/01/49/94/566014994.db2.gz ILGLROYTDVNOAJ-ZJUUUORDSA-N -1 3 398.244 3.297 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363649275 566015288 /nfs/dbraw/zinc/01/52/88/566015288.db2.gz WYMMLTGNACAGHY-VIFPVBQESA-N -1 3 382.829 3.034 20 0 GGADHM CCN(CC1CC1)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179931433 566020466 /nfs/dbraw/zinc/02/04/66/566020466.db2.gz VEODZXXPQYFMRP-UHFFFAOYSA-N -1 3 396.228 3.005 20 0 GGADHM CCS(=O)(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179934794 566020567 /nfs/dbraw/zinc/02/05/67/566020567.db2.gz SOROQBJFYGJWIF-UHFFFAOYSA-N -1 3 376.459 3.042 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000179954904 566020982 /nfs/dbraw/zinc/02/09/82/566020982.db2.gz HPBCQVLQRGPCAV-MRVPVSSYSA-N -1 3 396.460 3.175 20 0 GGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]Cc1nccc(C(F)F)n1 ZINC000287514542 566022686 /nfs/dbraw/zinc/02/26/86/566022686.db2.gz SPIGSYOIFWLRCL-UHFFFAOYSA-N -1 3 381.326 3.053 20 0 GGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179989597 566023737 /nfs/dbraw/zinc/02/37/37/566023737.db2.gz YJRYMJYDNCBJJV-VHSXEESVSA-N -1 3 396.228 3.003 20 0 GGADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2ccccc2)c2ccc(Cl)cc2)no1 ZINC000179987141 566023875 /nfs/dbraw/zinc/02/38/75/566023875.db2.gz GRLIETHHGQJAHX-MRXNPFEDSA-N -1 3 377.853 3.240 20 0 GGADHM Cc1ccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c([O-])c1 ZINC000180005882 566025479 /nfs/dbraw/zinc/02/54/79/566025479.db2.gz UUPOKVOZULZUKK-UHFFFAOYSA-N -1 3 382.229 3.237 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000180010469 566025634 /nfs/dbraw/zinc/02/56/34/566025634.db2.gz BKYVTJXTOGEPAO-SNVBAGLBSA-N -1 3 396.228 3.005 20 0 GGADHM CC(C)C[C@@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000180031439 566026367 /nfs/dbraw/zinc/02/63/67/566026367.db2.gz WGWKLIOLDCJPED-SNVBAGLBSA-N -1 3 398.244 3.297 20 0 GGADHM CN(CCC1CC1)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000180029057 566026502 /nfs/dbraw/zinc/02/65/02/566026502.db2.gz JRHXUHMXHIOQIO-UHFFFAOYSA-N -1 3 396.228 3.005 20 0 GGADHM COc1cc(/C=C/C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc(Br)c1[O-] ZINC000180059153 566029027 /nfs/dbraw/zinc/02/90/27/566029027.db2.gz BEPMCVRZPOOEEA-MGXTTXGCSA-N -1 3 396.281 3.106 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000287608311 566029161 /nfs/dbraw/zinc/02/91/61/566029161.db2.gz ZDNOTFQLIQSMBN-DGCLKSJQSA-N -1 3 398.472 3.031 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)cs1 ZINC000180072183 566030561 /nfs/dbraw/zinc/03/05/61/566030561.db2.gz FFFYNLFWGXLRPI-LURJTMIESA-N -1 3 396.357 3.272 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1nc(C)c(Br)s1)c1nccs1 ZINC000180082805 566031234 /nfs/dbraw/zinc/03/12/34/566031234.db2.gz JGZDRUIIBAYSCS-LLVKDONJSA-N -1 3 396.357 3.274 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000180105933 566032580 /nfs/dbraw/zinc/03/25/80/566032580.db2.gz JYKFZPAYLRXZEH-ZETCQYMHSA-N -1 3 382.330 3.018 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000246577393 566034632 /nfs/dbraw/zinc/03/46/32/566034632.db2.gz INBXHVVHJPNKIX-WCBZVUCDSA-N -1 3 383.457 3.064 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000180136207 566035457 /nfs/dbraw/zinc/03/54/57/566035457.db2.gz OLWGQNARIHIJQL-ZDUSSCGKSA-N -1 3 398.319 3.161 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000180136187 566035435 /nfs/dbraw/zinc/03/54/35/566035435.db2.gz OLWGQNARIHIJQL-CYBMUJFWSA-N -1 3 398.319 3.161 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000246637735 566035939 /nfs/dbraw/zinc/03/59/39/566035939.db2.gz FHRWMKIOZCTOSP-ZLENFMNRSA-N -1 3 398.937 3.193 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000246679014 566037148 /nfs/dbraw/zinc/03/71/48/566037148.db2.gz QJIXJTKGGQSMPW-NNOLRYQLSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000246749723 566039869 /nfs/dbraw/zinc/03/98/69/566039869.db2.gz XHCMMAXPMJZXNW-NNOLRYQLSA-N -1 3 384.350 3.352 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180176060 566040370 /nfs/dbraw/zinc/04/03/70/566040370.db2.gz NZCZDFRGMQMEOL-GOEBONIOSA-N -1 3 387.864 3.065 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccc(F)c(F)c1 ZINC000180186475 566042884 /nfs/dbraw/zinc/04/28/84/566042884.db2.gz DCOIQRHRSZMLEX-OAHLLOKOSA-N -1 3 391.823 3.293 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000180186006 566043035 /nfs/dbraw/zinc/04/30/35/566043035.db2.gz POPXTUPNBYWPRH-AWEZNQCLSA-N -1 3 379.787 3.423 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1ccc(F)c(F)c1 ZINC000180186463 566043047 /nfs/dbraw/zinc/04/30/47/566043047.db2.gz DCOIQRHRSZMLEX-HNNXBMFYSA-N -1 3 391.823 3.293 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cnc(Cl)c(F)c1 ZINC000287890123 566046603 /nfs/dbraw/zinc/04/66/03/566046603.db2.gz RKBJRTWDBRBBDX-SWLSCSKDSA-N -1 3 388.823 3.212 20 0 GGADHM CCCc1cnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)s1 ZINC000180238268 566046726 /nfs/dbraw/zinc/04/67/26/566046726.db2.gz MFZCWPAAWYJSMQ-UHFFFAOYSA-N -1 3 383.495 3.034 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])CCN(C2CCC2)C1 ZINC000416237791 566047402 /nfs/dbraw/zinc/04/74/02/566047402.db2.gz FVVLATUDNCCVHH-LLVKDONJSA-N -1 3 385.277 3.240 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000180289750 566052165 /nfs/dbraw/zinc/05/21/65/566052165.db2.gz HEHJAXZDDQUYAK-UHFFFAOYSA-N -1 3 375.233 3.366 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H](O)C(C)C ZINC000416621525 566097377 /nfs/dbraw/zinc/09/73/77/566097377.db2.gz LQHCIMBLUQPTAF-AAEUAGOBSA-N -1 3 384.723 3.176 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000416359368 566056191 /nfs/dbraw/zinc/05/61/91/566056191.db2.gz IPRILMJGSHRXIV-ZDUSSCGKSA-N -1 3 381.881 3.426 20 0 GGADHM CC1(C)CCc2nc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)sc2C1 ZINC000416360620 566056294 /nfs/dbraw/zinc/05/62/94/566056294.db2.gz NQNKKJMIMJSYEH-UHFFFAOYSA-N -1 3 379.507 3.282 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@@H]1C ZINC000416365804 566057156 /nfs/dbraw/zinc/05/71/56/566057156.db2.gz BFIWKARQJREVSY-GXTWGEPZSA-N -1 3 389.901 3.000 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000247291551 566057215 /nfs/dbraw/zinc/05/72/15/566057215.db2.gz BEKAFAQJBGIWQD-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1C ZINC000416369810 566057492 /nfs/dbraw/zinc/05/74/92/566057492.db2.gz JRBIMNCGYQZJDH-CYBMUJFWSA-N -1 3 381.881 3.345 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000416408440 566064108 /nfs/dbraw/zinc/06/41/08/566064108.db2.gz QCQJNJLTSZQXKT-UKRRQHHQSA-N -1 3 379.865 3.036 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)cn1C ZINC000416412064 566064761 /nfs/dbraw/zinc/06/47/61/566064761.db2.gz BOCSLMWNNFWTAO-UHFFFAOYSA-N -1 3 396.460 3.232 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416420532 566065852 /nfs/dbraw/zinc/06/58/52/566065852.db2.gz ZOOMMRZYQOGFRZ-OLZOCXBDSA-N -1 3 391.942 3.469 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2sccc2Cl)ccc1OCCN(C)C ZINC000416421026 566065884 /nfs/dbraw/zinc/06/58/84/566065884.db2.gz ALRCPTVGLUXSAN-UHFFFAOYSA-N -1 3 390.914 3.151 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)c(F)cc1Br ZINC000416420374 566065966 /nfs/dbraw/zinc/06/59/66/566065966.db2.gz YUGCSAWPAXSRAO-NSHDSACASA-N -1 3 387.274 3.201 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000416418330 566066136 /nfs/dbraw/zinc/06/61/36/566066136.db2.gz PHOLMNNFVFAFGJ-VIFPVBQESA-N -1 3 396.460 3.448 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416420531 566066335 /nfs/dbraw/zinc/06/63/35/566066335.db2.gz ZOOMMRZYQOGFRZ-CHWSQXEVSA-N -1 3 391.942 3.469 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000416431086 566067218 /nfs/dbraw/zinc/06/72/18/566067218.db2.gz GXCFYZNCORINQS-UHFFFAOYSA-N -1 3 388.898 3.185 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1OCCN(C)C ZINC000416422362 566067269 /nfs/dbraw/zinc/06/72/69/566067269.db2.gz LCRWAFYXYHIDIO-UHFFFAOYSA-N -1 3 390.914 3.151 20 0 GGADHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000247850021 566067831 /nfs/dbraw/zinc/06/78/31/566067831.db2.gz GKESMJGNBAOTTJ-UHFFFAOYSA-N -1 3 379.309 3.064 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1c(C)noc1C ZINC000416436093 566068077 /nfs/dbraw/zinc/06/80/77/566068077.db2.gz BMCRDYZKJHDHKK-GFCCVEGCSA-N -1 3 386.857 3.161 20 0 GGADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)OC ZINC000416439592 566068217 /nfs/dbraw/zinc/06/82/17/566068217.db2.gz QLXYOFWXSUQTQA-AWEZNQCLSA-N -1 3 391.917 3.246 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1c(C)noc1C ZINC000416443237 566068538 /nfs/dbraw/zinc/06/85/38/566068538.db2.gz VMYAQIXVMPVAOO-GFCCVEGCSA-N -1 3 388.873 3.392 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CCC1 ZINC000416433470 566068744 /nfs/dbraw/zinc/06/87/44/566068744.db2.gz PIFSTWMYGIAWOZ-UHFFFAOYSA-N -1 3 389.901 3.002 20 0 GGADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000416464029 566070498 /nfs/dbraw/zinc/07/04/98/566070498.db2.gz WLKFFOQODPHSNW-GJZGRUSLSA-N -1 3 389.851 3.164 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cn1C ZINC000416463944 566070805 /nfs/dbraw/zinc/07/08/05/566070805.db2.gz FPTVOGRHRTUSOV-ZDUSSCGKSA-N -1 3 375.416 3.168 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1C ZINC000416461337 566070852 /nfs/dbraw/zinc/07/08/52/566070852.db2.gz XQQIUXSSZJNLQD-GOEBONIOSA-N -1 3 383.901 3.005 20 0 GGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2nc3cccnc3s2)n1 ZINC000288387751 566071833 /nfs/dbraw/zinc/07/18/33/566071833.db2.gz VWWBKSBGBFQJAB-UHFFFAOYSA-N -1 3 376.463 3.241 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)cc1Cl ZINC000416491306 566075173 /nfs/dbraw/zinc/07/51/73/566075173.db2.gz XSFRVOLOZVJBGA-SNVBAGLBSA-N -1 3 383.844 3.461 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000416491487 566075690 /nfs/dbraw/zinc/07/56/90/566075690.db2.gz YANJVSRLOXTUHY-JTQLQIEISA-N -1 3 381.828 3.230 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c1 ZINC000416500810 566076158 /nfs/dbraw/zinc/07/61/58/566076158.db2.gz INOQDSYQBVCWJU-UHFFFAOYSA-N -1 3 384.242 3.171 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416493935 566076273 /nfs/dbraw/zinc/07/62/73/566076273.db2.gz IVYWUPQBCJDBBX-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000416504790 566077536 /nfs/dbraw/zinc/07/75/36/566077536.db2.gz YEGDZIPHKKMAPW-JTQLQIEISA-N -1 3 380.279 3.072 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000416504791 566077935 /nfs/dbraw/zinc/07/79/35/566077935.db2.gz YEGDZIPHKKMAPW-SNVBAGLBSA-N -1 3 380.279 3.072 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000416502057 566077987 /nfs/dbraw/zinc/07/79/87/566077987.db2.gz KNHJEGHEYFPYQC-JTQLQIEISA-N -1 3 380.279 3.072 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)C ZINC000416505306 566078174 /nfs/dbraw/zinc/07/81/74/566078174.db2.gz AMWLLUUQGQPHIB-NSHDSACASA-N -1 3 390.933 3.153 20 0 GGADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000416501762 566078198 /nfs/dbraw/zinc/07/81/98/566078198.db2.gz IYOKFFNUVNTZST-JTQLQIEISA-N -1 3 380.279 3.072 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)C ZINC000416511644 566079184 /nfs/dbraw/zinc/07/91/84/566079184.db2.gz YJNCLCAEJNFPGM-JTQLQIEISA-N -1 3 376.906 3.410 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CC(C)(C)C)cc1F ZINC000416507901 566079514 /nfs/dbraw/zinc/07/95/14/566079514.db2.gz PLEPHAFTCMCZEH-GFCCVEGCSA-N -1 3 394.534 3.080 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)s1 ZINC000416532998 566082334 /nfs/dbraw/zinc/08/23/34/566082334.db2.gz YSUIZRHAHJDWLF-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c1 ZINC000288648854 566083744 /nfs/dbraw/zinc/08/37/44/566083744.db2.gz QICBDYOHTYTPLB-UHFFFAOYSA-N -1 3 382.869 3.278 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000416545777 566084790 /nfs/dbraw/zinc/08/47/90/566084790.db2.gz REVMJFAIHDTKDA-UHFFFAOYSA-N -1 3 381.260 3.027 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3nnc(CSC)o3)nc(=O)c2c1C ZINC000288656745 566084827 /nfs/dbraw/zinc/08/48/27/566084827.db2.gz ALGZLSCXDIAUCN-UHFFFAOYSA-N -1 3 398.491 3.030 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000180740524 566085142 /nfs/dbraw/zinc/08/51/42/566085142.db2.gz UNEWVWWCQJQIIS-HZPDHXFCSA-N -1 3 375.343 3.052 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 ZINC000180745396 566085297 /nfs/dbraw/zinc/08/52/97/566085297.db2.gz ADNVYVRVWJMYKE-CVEARBPZSA-N -1 3 375.343 3.052 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000180746940 566085518 /nfs/dbraw/zinc/08/55/18/566085518.db2.gz BXOSWAWOROCADJ-SMDDNHRTSA-N -1 3 379.837 3.488 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000416554307 566085511 /nfs/dbraw/zinc/08/55/11/566085511.db2.gz WCAZEVXIXWSMPX-UHFFFAOYSA-N -1 3 388.289 3.499 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000180740560 566085618 /nfs/dbraw/zinc/08/56/18/566085618.db2.gz UNEWVWWCQJQIIS-JKSUJKDBSA-N -1 3 375.343 3.052 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000416549298 566085665 /nfs/dbraw/zinc/08/56/65/566085665.db2.gz YIZQOGPVRZCSTJ-UHFFFAOYSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)nc1C ZINC000416553622 566085786 /nfs/dbraw/zinc/08/57/86/566085786.db2.gz XJAOXRRDLSPEKO-UHFFFAOYSA-N -1 3 378.347 3.215 20 0 GGADHM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000416553584 566085857 /nfs/dbraw/zinc/08/58/57/566085857.db2.gz JDZLWODWDPFBCZ-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)c(OC)cc1Br ZINC000416560791 566087056 /nfs/dbraw/zinc/08/70/56/566087056.db2.gz RHUVXDWQDNMERD-OAHLLOKOSA-N -1 3 390.299 3.243 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@](C)(CC)c2nccs2)c1 ZINC000180786668 566087965 /nfs/dbraw/zinc/08/79/65/566087965.db2.gz PGAZAZPGKDVRLI-MRXNPFEDSA-N -1 3 386.470 3.063 20 0 GGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1ccc(Br)cc1Cl ZINC000180774423 566088256 /nfs/dbraw/zinc/08/82/56/566088256.db2.gz VFUAIDCIOINPCM-LLVKDONJSA-N -1 3 382.707 3.340 20 0 GGADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl ZINC000180788492 566088355 /nfs/dbraw/zinc/08/83/55/566088355.db2.gz XTCOJWBIIQLVEF-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(Br)c1Cl ZINC000416576995 566089325 /nfs/dbraw/zinc/08/93/25/566089325.db2.gz HQKUMPLBCLWHGY-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@](C)(OC)C2CC2)c(Cl)c1Cl ZINC000416580902 566090094 /nfs/dbraw/zinc/09/00/94/566090094.db2.gz CTIGSHSCKXNSHF-PSLIRLAXSA-N -1 3 382.309 3.484 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416586549 566090756 /nfs/dbraw/zinc/09/07/56/566090756.db2.gz GIYKQERYSZOAIV-MRVWCRGKSA-N -1 3 379.881 3.313 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)CC(F)(F)F ZINC000416589721 566091527 /nfs/dbraw/zinc/09/15/27/566091527.db2.gz GHKYWDHVAJPQNW-LLVKDONJSA-N -1 3 379.379 3.268 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)cc1OC ZINC000416589431 566091794 /nfs/dbraw/zinc/09/17/94/566091794.db2.gz BFFZMQWJKXUQNV-MRVPVSSYSA-N -1 3 375.796 3.224 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@H](C)O1 ZINC000416594868 566092510 /nfs/dbraw/zinc/09/25/10/566092510.db2.gz DUSNQSWVNQMRFE-KXUCPTDWSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br)C1CC1 ZINC000416598379 566092653 /nfs/dbraw/zinc/09/26/53/566092653.db2.gz OJXQODMTSJJYRH-ZANVPECISA-N -1 3 382.345 3.301 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H](C)O1 ZINC000416598157 566092692 /nfs/dbraw/zinc/09/26/92/566092692.db2.gz GQXPVJKBURBHQH-OPRDCNLKSA-N -1 3 382.707 3.194 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c(OC)cc1Br ZINC000416601566 566093908 /nfs/dbraw/zinc/09/39/08/566093908.db2.gz YZFKKTWORYYTRH-GHMZBOCLSA-N -1 3 396.278 3.025 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@H](C)O1 ZINC000416599306 566094109 /nfs/dbraw/zinc/09/41/09/566094109.db2.gz HOMOQFCUVGMVAE-KXUCPTDWSA-N -1 3 382.707 3.194 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000416600343 566094291 /nfs/dbraw/zinc/09/42/91/566094291.db2.gz XOPPZYCZWXIPRZ-UHFFFAOYSA-N -1 3 382.309 3.486 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000416600624 566094323 /nfs/dbraw/zinc/09/43/23/566094323.db2.gz QFZYVHPLCZXVCP-YMTOWFKASA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000416600812 566094366 /nfs/dbraw/zinc/09/43/66/566094366.db2.gz QPIJFBOPBCTWRD-YMTOWFKASA-N -1 3 380.279 3.070 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c(Br)c1 ZINC000416604266 566094841 /nfs/dbraw/zinc/09/48/41/566094841.db2.gz LHZOHTPVLJAFJD-QMMMGPOBSA-N -1 3 390.221 3.325 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000416607279 566094867 /nfs/dbraw/zinc/09/48/67/566094867.db2.gz YSNRZPVJBSFCSY-LKFCYVNXSA-N -1 3 385.379 3.206 20 0 GGADHM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cnc1Br ZINC000180874545 566095297 /nfs/dbraw/zinc/09/52/97/566095297.db2.gz CRKZGBHHISNHDR-UHFFFAOYSA-N -1 3 379.258 3.094 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)cc1Cl ZINC000416608212 566095393 /nfs/dbraw/zinc/09/53/93/566095393.db2.gz REKGBQGFMMVRRF-MRVPVSSYSA-N -1 3 375.796 3.224 20 0 GGADHM O=C(Nc1nnc2n1CCCC2)c1n[n-]c(-c2ccccc2)c1Br ZINC000180874404 566095511 /nfs/dbraw/zinc/09/55/11/566095511.db2.gz QGSZNEDZANVACW-UHFFFAOYSA-N -1 3 387.241 3.019 20 0 GGADHM O=C(Nc1nnc2n1CCCC2)c1[n-]nc(-c2ccccc2)c1Br ZINC000180874404 566095517 /nfs/dbraw/zinc/09/55/17/566095517.db2.gz QGSZNEDZANVACW-UHFFFAOYSA-N -1 3 387.241 3.019 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H](C)O1 ZINC000416612512 566096226 /nfs/dbraw/zinc/09/62/26/566096226.db2.gz ZBRCVGNTZOPZJB-KXUCPTDWSA-N -1 3 382.707 3.194 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000416613400 566096545 /nfs/dbraw/zinc/09/65/45/566096545.db2.gz FLSWCZRZARPAIQ-SECBINFHSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)s1 ZINC000416624374 566097297 /nfs/dbraw/zinc/09/72/97/566097297.db2.gz ABYGDAOUMBQGMM-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1cccnc1 ZINC000416637927 566098714 /nfs/dbraw/zinc/09/87/14/566098714.db2.gz ZRSRDYSQWOSVRD-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC(=O)[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1F ZINC000416642979 566099666 /nfs/dbraw/zinc/09/96/66/566099666.db2.gz GQEACSCQSBNFLA-QOZQQMKHSA-N -1 3 381.391 3.496 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H](CO)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000416641723 566099840 /nfs/dbraw/zinc/09/98/40/566099840.db2.gz BYCUHPXZOXOQKU-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)[C@@H]1CC1(C)C ZINC000416646205 566100045 /nfs/dbraw/zinc/10/00/45/566100045.db2.gz KWTZPJRFGMWNSE-AAEUAGOBSA-N -1 3 388.917 3.410 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)[C@H]1CC1(C)C ZINC000416646206 566100246 /nfs/dbraw/zinc/10/02/46/566100246.db2.gz KWTZPJRFGMWNSE-DGCLKSJQSA-N -1 3 388.917 3.410 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[n-]1 ZINC000180936114 566101244 /nfs/dbraw/zinc/10/12/44/566101244.db2.gz LWXRVJPCMCTNLE-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[n-]n1 ZINC000180936114 566101248 /nfs/dbraw/zinc/10/12/48/566101248.db2.gz LWXRVJPCMCTNLE-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(CC(F)F)C1 ZINC000416673741 566103172 /nfs/dbraw/zinc/10/31/72/566103172.db2.gz UTZAGMKTPJGXCZ-NSHDSACASA-N -1 3 378.828 3.012 20 0 GGADHM CCOC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000289113709 566106609 /nfs/dbraw/zinc/10/66/09/566106609.db2.gz JYABDTISXSSFBT-NEPJUHHUSA-N -1 3 387.889 3.043 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1ccccc1Br ZINC000181023086 566107469 /nfs/dbraw/zinc/10/74/69/566107469.db2.gz PSSLVUTXKIXIDD-UHFFFAOYSA-N -1 3 397.225 3.194 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000365570453 566108143 /nfs/dbraw/zinc/10/81/43/566108143.db2.gz VLSXCYGURVEXAC-INIZCTEOSA-N -1 3 382.844 3.438 20 0 GGADHM CCOC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000252486842 566114179 /nfs/dbraw/zinc/11/41/79/566114179.db2.gz HPHKBKJNAHVKPU-NSHDSACASA-N -1 3 394.946 3.245 20 0 GGADHM C[C@@H](Oc1ccccc1Br)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000181108409 566115705 /nfs/dbraw/zinc/11/57/05/566115705.db2.gz HXJXKZDMQZZQOS-GFCCVEGCSA-N -1 3 387.237 3.436 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@H](C)CC(=O)[O-] ZINC000417585745 566165034 /nfs/dbraw/zinc/16/50/34/566165034.db2.gz BKHFQAJQQNYTSH-SSDOTTSWSA-N -1 3 381.064 3.173 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1C[C@H]2CCCC[C@H]21 ZINC000365785129 566118434 /nfs/dbraw/zinc/11/84/34/566118434.db2.gz YNRULFDNMDBSKJ-TZMCWYRMSA-N -1 3 396.559 3.303 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c(C)c1F ZINC000181147862 566119279 /nfs/dbraw/zinc/11/92/79/566119279.db2.gz GCBYMGPMPCVZHM-DEOSSOPVSA-N -1 3 385.482 3.130 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417017003 566120487 /nfs/dbraw/zinc/12/04/87/566120487.db2.gz GMPKJQQZNFUQMW-UHFFFAOYSA-N -1 3 377.242 3.393 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccs1 ZINC000289770556 566138629 /nfs/dbraw/zinc/13/86/29/566138629.db2.gz HMHFSNHRVXOKEK-HNNXBMFYSA-N -1 3 375.462 3.206 20 0 GGADHM COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1[O-] ZINC000289891995 566145125 /nfs/dbraw/zinc/14/51/25/566145125.db2.gz WMRUDQZKMOQQNY-MNOVXSKESA-N -1 3 398.219 3.156 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262131519 566147204 /nfs/dbraw/zinc/14/72/04/566147204.db2.gz KVBJMNLXIYLQTQ-SCLBCKFNSA-N -1 3 385.291 3.139 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1nc(-c3cccc(Br)c3)no1)C2 ZINC000262212301 566148469 /nfs/dbraw/zinc/14/84/69/566148469.db2.gz UIRCPKWUUNSSFI-YVEFUNNKSA-N -1 3 392.253 3.186 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(n2cc(Br)cn2)CC1 ZINC000366414447 566150130 /nfs/dbraw/zinc/15/01/30/566150130.db2.gz PRJDFQRIOQMHSP-UHFFFAOYSA-N -1 3 398.688 3.411 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181592227 566150376 /nfs/dbraw/zinc/15/03/76/566150376.db2.gz CBEHFWDCYWGTKU-GDBMZVCRSA-N -1 3 387.288 3.338 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)oc1C ZINC000181608362 566152207 /nfs/dbraw/zinc/15/22/07/566152207.db2.gz FJUQCNJDMZETNI-UHFFFAOYSA-N -1 3 392.260 3.301 20 0 GGADHM COc1ccc(CNC2CCN(CC(F)(F)F)CC2)c(Br)c1[O-] ZINC000290001293 566152388 /nfs/dbraw/zinc/15/23/88/566152388.db2.gz VCJMSYGAJRVRCT-UHFFFAOYSA-N -1 3 397.235 3.280 20 0 GGADHM O=C([N-]c1ncc(C2(O)CCCCC2)s1)c1cnc(C2OCCO2)s1 ZINC000290076058 566156060 /nfs/dbraw/zinc/15/60/60/566156060.db2.gz GCVYSRHPVGSZKM-UHFFFAOYSA-N -1 3 381.479 3.049 20 0 GGADHM Cc1cc(Br)c(CN[C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])s1 ZINC000417561760 566157567 /nfs/dbraw/zinc/15/75/67/566157567.db2.gz BQBZMZLMROMEIG-GFCCVEGCSA-N -1 3 398.278 3.333 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1cscc1Br ZINC000417560576 566157720 /nfs/dbraw/zinc/15/77/20/566157720.db2.gz ACJVFHBBLDAHOI-GFCCVEGCSA-N -1 3 384.251 3.025 20 0 GGADHM COCCC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000181680443 566158329 /nfs/dbraw/zinc/15/83/29/566158329.db2.gz IMNVMPDUNKLAOL-SNVBAGLBSA-N -1 3 382.404 3.078 20 0 GGADHM CC(C)(C)C[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417566452 566159900 /nfs/dbraw/zinc/15/99/00/566159900.db2.gz IGJXQRHNVNWESZ-LBPRGKRZSA-N -1 3 379.213 3.409 20 0 GGADHM CCC(CC)(OC)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000290239483 566162915 /nfs/dbraw/zinc/16/29/15/566162915.db2.gz BSWLZULIEUMVOE-LLVKDONJSA-N -1 3 387.889 3.424 20 0 GGADHM CCCSC[C@@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417581136 566163401 /nfs/dbraw/zinc/16/34/01/566163401.db2.gz GYOCXOCXUPVYPL-GFCCVEGCSA-N -1 3 397.253 3.116 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@H](C)c2ccccc2Br)CC1 ZINC000262865189 566163645 /nfs/dbraw/zinc/16/36/45/566163645.db2.gz UNCBCAFNXTXAKX-UKRRQHHQSA-N -1 3 397.313 3.298 20 0 GGADHM O=C([O-])c1ccc(CCNCc2cc(Br)cc3c2OCC3)cc1 ZINC000417582975 566163809 /nfs/dbraw/zinc/16/38/09/566163809.db2.gz JISRUYDDNASLMJ-UHFFFAOYSA-N -1 3 376.250 3.415 20 0 GGADHM CC(C)(C)OC[C@H](NCc1ccc(Br)c2cccnc12)C(=O)[O-] ZINC000417588853 566164576 /nfs/dbraw/zinc/16/45/76/566164576.db2.gz CYYBLSACGYJWQU-AWEZNQCLSA-N -1 3 381.270 3.355 20 0 GGADHM COc1cc(Br)ccc1CCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000181766411 566164859 /nfs/dbraw/zinc/16/48/59/566164859.db2.gz HRZTZTIJKOSTQS-UHFFFAOYSA-N -1 3 389.253 3.092 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1Br)[C@@H]1CCOC1 ZINC000417598247 566165807 /nfs/dbraw/zinc/16/58/07/566165807.db2.gz YHYUENADCNBDMO-PELKAZGASA-N -1 3 382.176 3.047 20 0 GGADHM CCOc1cccc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])n1 ZINC000417609041 566166704 /nfs/dbraw/zinc/16/67/04/566166704.db2.gz PKADKQBTCUCYDT-OAHLLOKOSA-N -1 3 379.254 3.028 20 0 GGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000417614061 566166870 /nfs/dbraw/zinc/16/68/70/566166870.db2.gz DOSJDHNLSYJUJK-VHSXEESVSA-N -1 3 380.160 3.467 20 0 GGADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000417614060 566166985 /nfs/dbraw/zinc/16/69/85/566166985.db2.gz DOSJDHNLSYJUJK-UWVGGRQHSA-N -1 3 380.160 3.467 20 0 GGADHM Cc1cc(Br)ccc1CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417617886 566167165 /nfs/dbraw/zinc/16/71/65/566167165.db2.gz GBKYZANFCIDGNH-CQSZACIVSA-N -1 3 386.286 3.422 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@H](C)[C@H](C)C(=O)[O-] ZINC000417616007 566167287 /nfs/dbraw/zinc/16/72/87/566167287.db2.gz UUHRXHOXEZARCC-JGVFFNPUSA-N -1 3 395.091 3.419 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417612529 566167393 /nfs/dbraw/zinc/16/73/93/566167393.db2.gz BYGSZWRFZGMGAL-SWLSCSKDSA-N -1 3 376.254 3.062 20 0 GGADHM COc1cccc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])c1OC ZINC000417630764 566167922 /nfs/dbraw/zinc/16/79/22/566167922.db2.gz RIZLLACNTLETPA-OAHLLOKOSA-N -1 3 394.265 3.252 20 0 GGADHM CO[C@@H](CNCc1ccc(OCc2ccccc2)c(Br)c1)C(=O)[O-] ZINC000417633330 566167974 /nfs/dbraw/zinc/16/79/74/566167974.db2.gz UBIMFYIUNYIAFS-KRWDZBQOSA-N -1 3 394.265 3.217 20 0 GGADHM O=C([O-])[C@@H]1CC(=O)N(CCNCc2ccc(-c3ccccc3Cl)s2)C1 ZINC000417622361 566168015 /nfs/dbraw/zinc/16/80/15/566168015.db2.gz IJWFHSXRYOKNPR-GFCCVEGCSA-N -1 3 378.881 3.091 20 0 GGADHM CCCOc1c(Br)cc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1OC ZINC000417627302 566168071 /nfs/dbraw/zinc/16/80/71/566168071.db2.gz UORLXPNPVOEQDO-OLZOCXBDSA-N -1 3 384.270 3.365 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCCSCC(=O)[O-] ZINC000417625173 566168233 /nfs/dbraw/zinc/16/82/33/566168233.db2.gz RKCGQAMFFBHCJU-UHFFFAOYSA-N -1 3 398.326 3.159 20 0 GGADHM Cc1c(Br)cc(CNCCSCC(=O)[O-])cc1Br ZINC000417627759 566168315 /nfs/dbraw/zinc/16/83/15/566168315.db2.gz VJSYMYRDVFPPQR-UHFFFAOYSA-N -1 3 397.132 3.427 20 0 GGADHM CC[C@H](CCC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000417628077 566168384 /nfs/dbraw/zinc/16/83/84/566168384.db2.gz UFVXFCCTCISESY-SECBINFHSA-N -1 3 380.080 3.340 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417628365 566169010 /nfs/dbraw/zinc/16/90/10/566169010.db2.gz WBIIMUZGFHHVMD-UKRRQHHQSA-N -1 3 390.281 3.371 20 0 GGADHM CO[C@H](CNCc1cc(Br)ccc1OCc1ccccc1)C(=O)[O-] ZINC000417626118 566169049 /nfs/dbraw/zinc/16/90/49/566169049.db2.gz MSPCQTNANUPQKC-QGZVFWFLSA-N -1 3 394.265 3.217 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000417652426 566169844 /nfs/dbraw/zinc/16/98/44/566169844.db2.gz ACMFKUFWIYSPMV-NSHDSACASA-N -1 3 379.787 3.216 20 0 GGADHM C[C@H]([C@H](NCc1ccc(F)cc1I)C(=O)[O-])C1CC1 ZINC000417642333 566170193 /nfs/dbraw/zinc/17/01/93/566170193.db2.gz VAXGSPRODLUMRZ-SDBXPKJASA-N -1 3 377.197 3.019 20 0 GGADHM Cc1nscc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000181879996 566170704 /nfs/dbraw/zinc/17/07/04/566170704.db2.gz ASUVPOVSNPLUKL-UHFFFAOYSA-N -1 3 378.255 3.106 20 0 GGADHM Cc1cc(=O)cc(C)n1CCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000290421355 566171467 /nfs/dbraw/zinc/17/14/67/566171467.db2.gz QOXSJPBMRCBPJF-UHFFFAOYSA-N -1 3 379.254 3.352 20 0 GGADHM C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1csc(=O)[n-]1 ZINC000366819376 566172391 /nfs/dbraw/zinc/17/23/91/566172391.db2.gz AFNASCNUCPFOAR-TVQRCGJNSA-N -1 3 383.267 3.213 20 0 GGADHM COCc1noc([C@H](C)Sc2n[n-]c(COc3ccc(Cl)cc3)n2)n1 ZINC000181886810 566172627 /nfs/dbraw/zinc/17/26/27/566172627.db2.gz IXUJNAJZOLWRGD-VIFPVBQESA-N -1 3 381.845 3.420 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])c2ccccc21 ZINC000366920415 566177231 /nfs/dbraw/zinc/17/72/31/566177231.db2.gz FZGLMDDOEYKBFL-GFCCVEGCSA-N -1 3 375.222 3.244 20 0 GGADHM CCOc1cc(Br)c(F)cc1NC([O-])=NOC[C@H]1CCOC1 ZINC000290538789 566178767 /nfs/dbraw/zinc/17/87/67/566178767.db2.gz RRLXLLUVXHVANX-VIFPVBQESA-N -1 3 377.210 3.077 20 0 GGADHM CCOc1cc(Br)c(F)cc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000290538789 566178770 /nfs/dbraw/zinc/17/87/70/566178770.db2.gz RRLXLLUVXHVANX-VIFPVBQESA-N -1 3 377.210 3.077 20 0 GGADHM O=C([O-])CCNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000263358123 566183407 /nfs/dbraw/zinc/18/34/07/566183407.db2.gz JNJDIWZGWSKULN-UHFFFAOYSA-N -1 3 388.295 3.076 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cs1 ZINC000367124914 566186982 /nfs/dbraw/zinc/18/69/82/566186982.db2.gz LZPUVPHLILAFRJ-LLVKDONJSA-N -1 3 382.507 3.043 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnnn2-c2ccc(Br)cc2)n1 ZINC000182188159 566187685 /nfs/dbraw/zinc/18/76/85/566187685.db2.gz LEBATFZYHSIJKH-VIFPVBQESA-N -1 3 393.270 3.082 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN([C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000263575580 566191645 /nfs/dbraw/zinc/19/16/45/566191645.db2.gz PGHUWEARKKYEQI-GEWABHDNSA-N -1 3 383.275 3.285 20 0 GGADHM Oc1[n-]c(N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2nncc1-2 ZINC000290833330 566191715 /nfs/dbraw/zinc/19/17/15/566191715.db2.gz UVECYXWAFIREDR-JTQLQIEISA-N -1 3 380.235 3.413 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN([C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000263575579 566192131 /nfs/dbraw/zinc/19/21/31/566192131.db2.gz PGHUWEARKKYEQI-BKGUAONASA-N -1 3 383.275 3.285 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(Br)cc1C ZINC000182260927 566192902 /nfs/dbraw/zinc/19/29/02/566192902.db2.gz AOGIVSPRYBKAJE-UHFFFAOYSA-N -1 3 383.267 3.228 20 0 GGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc(F)cc1Br ZINC000367271117 566193082 /nfs/dbraw/zinc/19/30/82/566193082.db2.gz PYFZJUWCFMJCIU-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000263661739 566193253 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3.125 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)c1 ZINC000290964378 566198402 /nfs/dbraw/zinc/19/84/02/566198402.db2.gz OUXOQZVSAIZDMB-UHFFFAOYSA-N -1 3 382.913 3.391 20 0 GGADHM CSc1nnc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)[n-]1 ZINC000263868953 566198743 /nfs/dbraw/zinc/19/87/43/566198743.db2.gz LLJJEABWLSWILF-UHFFFAOYSA-N -1 3 375.479 3.052 20 0 GGADHM CSc1n[n-]c(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)n1 ZINC000263868953 566198748 /nfs/dbraw/zinc/19/87/48/566198748.db2.gz LLJJEABWLSWILF-UHFFFAOYSA-N -1 3 375.479 3.052 20 0 GGADHM CSc1nc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)n[n-]1 ZINC000263868953 566198752 /nfs/dbraw/zinc/19/87/52/566198752.db2.gz LLJJEABWLSWILF-UHFFFAOYSA-N -1 3 375.479 3.052 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(OCC(F)F)ccn1 ZINC000182346548 566198937 /nfs/dbraw/zinc/19/89/37/566198937.db2.gz DSEPLLCUYQIQEG-UHFFFAOYSA-N -1 3 387.180 3.124 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)Cc2ccccc2Cl)c(C)c1 ZINC000263903537 566199944 /nfs/dbraw/zinc/19/99/44/566199944.db2.gz 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ZINC000291732679 566232535 /nfs/dbraw/zinc/23/25/35/566232535.db2.gz QXNLPXPUCMGQFQ-UHFFFAOYSA-N -1 3 385.532 3.162 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000183012640 566234875 /nfs/dbraw/zinc/23/48/75/566234875.db2.gz WBFNXURCZYMUHH-RYUDHWBXSA-N -1 3 376.444 3.035 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](CO)CC1CCCCC1 ZINC000419488631 566236838 /nfs/dbraw/zinc/23/68/38/566236838.db2.gz HQZNKWDCDHIAEJ-CQSZACIVSA-N -1 3 385.302 3.285 20 0 GGADHM Cc1cccc(S(=O)(=O)CCCSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000419584095 566239187 /nfs/dbraw/zinc/23/91/87/566239187.db2.gz IDUYDCOZQIRAPP-UHFFFAOYSA-N -1 3 378.519 3.465 20 0 GGADHM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc([O-])c1Br ZINC000419696872 566242262 /nfs/dbraw/zinc/24/22/62/566242262.db2.gz PMTFMWPHWKOOHK-UHFFFAOYSA-N -1 3 399.310 3.326 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000183259167 566242438 /nfs/dbraw/zinc/24/24/38/566242438.db2.gz LPXKTODPAZZQDI-NSHDSACASA-N -1 3 393.212 3.285 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000183269519 566242490 /nfs/dbraw/zinc/24/24/90/566242490.db2.gz YPWMFKIKMQGGTH-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000183297396 566242877 /nfs/dbraw/zinc/24/28/77/566242877.db2.gz SWVUFPXJDALDCK-CYBMUJFWSA-N -1 3 380.432 3.034 20 0 GGADHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCCC1 ZINC000183295408 566242888 /nfs/dbraw/zinc/24/28/88/566242888.db2.gz HAFASBDKBNSWMC-NSHDSACASA-N -1 3 381.361 3.053 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C(C)(C)O1 ZINC000183317347 566243528 /nfs/dbraw/zinc/24/35/28/566243528.db2.gz RXDPFRNFHYXKNL-GFCCVEGCSA-N -1 3 380.279 3.213 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccc(Cl)c(F)c1 ZINC000183323247 566244299 /nfs/dbraw/zinc/24/42/99/566244299.db2.gz VJLUIHWTLVAYSU-AWEZNQCLSA-N -1 3 389.832 3.272 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1C ZINC000266047572 566245270 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COc1ccc(S(=O)(=O)[N-]CCc2c(C)noc2C)c(Cl)c1Cl ZINC000266148852 566246459 /nfs/dbraw/zinc/24/64/59/566246459.db2.gz IVACAHHLNJLELK-UHFFFAOYSA-N -1 3 379.265 3.128 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000266156930 566246488 /nfs/dbraw/zinc/24/64/88/566246488.db2.gz OKKLFOUMJLMHTO-CQSZACIVSA-N -1 3 384.910 3.044 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C2CC2)n1 ZINC000266216134 566247257 /nfs/dbraw/zinc/24/72/57/566247257.db2.gz RGVHVBNDGIKQAA-GFCCVEGCSA-N -1 3 388.312 3.039 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC2CCOCC2)c1Cl ZINC000266249424 566247416 /nfs/dbraw/zinc/24/74/16/566247416.db2.gz XKBWFGZWYFNELK-UHFFFAOYSA-N -1 3 382.309 3.166 20 0 GGADHM O=S(=O)(CCc1cccs1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000368913311 566247498 /nfs/dbraw/zinc/24/74/98/566247498.db2.gz LCYFXCJHLXXOOH-UHFFFAOYSA-N -1 3 383.882 3.114 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cn(C)nc2C)c(Cl)c1Cl ZINC000266236022 566247638 /nfs/dbraw/zinc/24/76/38/566247638.db2.gz YWNQQSASQRTHQY-SECBINFHSA-N -1 3 378.281 3.083 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCSCc2ccccn2)c1 ZINC000266244848 566247647 /nfs/dbraw/zinc/24/76/47/566247647.db2.gz UHCZYWNYQIRZSP-UHFFFAOYSA-N -1 3 379.507 3.024 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000183500141 566248261 /nfs/dbraw/zinc/24/82/61/566248261.db2.gz WGYQZRVGULEQMI-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)c1OC ZINC000508910095 566251014 /nfs/dbraw/zinc/25/10/14/566251014.db2.gz BLPBIHFXHBRGGE-UHFFFAOYSA-N -1 3 390.933 3.201 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000508911760 566251048 /nfs/dbraw/zinc/25/10/48/566251048.db2.gz DVVKJRASZMBDPK-UHFFFAOYSA-N -1 3 382.835 3.264 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC1 ZINC000462125070 566251382 /nfs/dbraw/zinc/25/13/82/566251382.db2.gz ALRFLANLZNWPLD-CQSZACIVSA-N -1 3 396.734 3.337 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000462129109 566252274 /nfs/dbraw/zinc/25/22/74/566252274.db2.gz ZMJHOOHSSDAHJI-CYBMUJFWSA-N -1 3 382.707 3.196 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1cc(Br)ccc1F ZINC000534736706 566252558 /nfs/dbraw/zinc/25/25/58/566252558.db2.gz WDJJBEKJVUYELI-UHFFFAOYSA-N -1 3 398.232 3.368 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1cc(Br)ccc1F ZINC000534736706 566252561 /nfs/dbraw/zinc/25/25/61/566252561.db2.gz WDJJBEKJVUYELI-UHFFFAOYSA-N -1 3 398.232 3.368 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H]3CCSc4ccccc43)cnc2c1Cl ZINC000534745283 566253267 /nfs/dbraw/zinc/25/32/67/566253267.db2.gz PXODHKWRUOAMGE-ZDUSSCGKSA-N -1 3 394.909 3.207 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000462139069 566254445 /nfs/dbraw/zinc/25/44/45/566254445.db2.gz YARGSUTZCWNIEF-UHFFFAOYSA-N -1 3 398.175 3.484 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)c2cnc(C)n2C)nc1-c1ccc(Cl)cc1 ZINC000624892119 566255262 /nfs/dbraw/zinc/25/52/62/566255262.db2.gz AMBOYGAPWVXTIN-UHFFFAOYSA-N -1 3 396.925 3.292 20 0 GGADHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000462143841 566255493 /nfs/dbraw/zinc/25/54/93/566255493.db2.gz XXEPSGFVVOKSPO-GFCCVEGCSA-N -1 3 378.460 3.283 20 0 GGADHM Cc1ccc(C)c2sc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)nc21 ZINC000599369190 566256369 /nfs/dbraw/zinc/25/63/69/566256369.db2.gz ZETOCZGEHOBWKU-NSHDSACASA-N -1 3 395.531 3.280 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)cc1F ZINC000444876056 566256412 /nfs/dbraw/zinc/25/64/12/566256412.db2.gz RNLFQSWOWSTOKC-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000462157766 566257115 /nfs/dbraw/zinc/25/71/15/566257115.db2.gz PLAZLIARHXZKJP-UHFFFAOYSA-N -1 3 381.295 3.163 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(C)(C)c1ccccc1 ZINC000462161191 566257757 /nfs/dbraw/zinc/25/77/57/566257757.db2.gz CSDCUZMTKCHHAZ-GFCCVEGCSA-N -1 3 383.311 3.489 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000534848638 566258708 /nfs/dbraw/zinc/25/87/08/566258708.db2.gz OZIBUGLAOJUVJQ-UHFFFAOYSA-N -1 3 381.523 3.085 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(N=c2[nH]c3ccccc3s2)c1 ZINC000509073326 566259122 /nfs/dbraw/zinc/25/91/22/566259122.db2.gz ABHKDZIXEHTZJA-LBPRGKRZSA-N -1 3 377.491 3.238 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1ccc(Br)cn1 ZINC000462164267 566259267 /nfs/dbraw/zinc/25/92/67/566259267.db2.gz ZNRFYEZUZFKOHE-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000481874081 566259567 /nfs/dbraw/zinc/25/95/67/566259567.db2.gz XPRRLDMMMJBGJE-UHFFFAOYSA-N -1 3 384.885 3.220 20 0 GGADHM CN(CCCC[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000462180875 566260484 /nfs/dbraw/zinc/26/04/84/566260484.db2.gz OEIYLQKMSXCZJE-UHFFFAOYSA-N -1 3 398.326 3.039 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1n[nH]c2ccc(Cl)cc21 ZINC000509080491 566260758 /nfs/dbraw/zinc/26/07/58/566260758.db2.gz LVXJYUILGHCNDO-UHFFFAOYSA-N -1 3 390.628 3.301 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C)CCCCC2)c(Br)c1 ZINC000462184067 566261235 /nfs/dbraw/zinc/26/12/35/566261235.db2.gz APLLRXKMLIMYIX-UHFFFAOYSA-N -1 3 390.299 3.237 20 0 GGADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)c1 ZINC000509103366 566262575 /nfs/dbraw/zinc/26/25/75/566262575.db2.gz OQDJXXCSDAHVKO-UHFFFAOYSA-N -1 3 378.519 3.354 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cl)cc1I)c1ccco1 ZINC000444992649 566263151 /nfs/dbraw/zinc/26/31/51/566263151.db2.gz WUIHCISELNEONC-UHFFFAOYSA-N -1 3 397.621 3.016 20 0 GGADHM O=S(=O)([N-]CCOc1c(Cl)cc(Cl)cc1Cl)c1ccccn1 ZINC000555965153 566263422 /nfs/dbraw/zinc/26/34/22/566263422.db2.gz VSUFTZKCXYFIHG-UHFFFAOYSA-N -1 3 381.668 3.399 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCCN1c1ccccc1F ZINC000534905119 566263910 /nfs/dbraw/zinc/26/39/10/566263910.db2.gz OKKJYFYOPVCDEU-LLVKDONJSA-N -1 3 388.873 3.015 20 0 GGADHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000534903005 566264424 /nfs/dbraw/zinc/26/44/24/566264424.db2.gz LMTRKFSPQLEVOJ-SECBINFHSA-N -1 3 383.825 3.030 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(F)cc1C(F)(F)F ZINC000481922580 566264365 /nfs/dbraw/zinc/26/43/65/566264365.db2.gz MRLLPRLCXGZENZ-UHFFFAOYSA-N -1 3 399.163 3.225 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)cc1F ZINC000445030366 566264759 /nfs/dbraw/zinc/26/47/59/566264759.db2.gz DUBQTVKTDHVYDP-MRXNPFEDSA-N -1 3 383.828 3.232 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481932238 566264849 /nfs/dbraw/zinc/26/48/49/566264849.db2.gz BPRJUYIFYCKZDN-GFCCVEGCSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481932238 566264857 /nfs/dbraw/zinc/26/48/57/566264857.db2.gz BPRJUYIFYCKZDN-GFCCVEGCSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481932238 566264864 /nfs/dbraw/zinc/26/48/64/566264864.db2.gz BPRJUYIFYCKZDN-GFCCVEGCSA-N -1 3 376.766 3.197 20 0 GGADHM CCC[C@]1(CO)CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000555972689 566265436 /nfs/dbraw/zinc/26/54/36/566265436.db2.gz YGPIMWGQODNJSI-GOSISDBHSA-N -1 3 393.281 3.058 20 0 GGADHM CCCN(CC)CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481926433 566265575 /nfs/dbraw/zinc/26/55/75/566265575.db2.gz OMLJOMXEEAAEAS-UHFFFAOYSA-N -1 3 385.896 3.273 20 0 GGADHM O=C([N-]c1scnc1C1CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000534956027 566267083 /nfs/dbraw/zinc/26/70/83/566267083.db2.gz YNNRDHDLARFBIS-UHFFFAOYSA-N -1 3 383.520 3.119 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)cc1F ZINC000575347209 566267483 /nfs/dbraw/zinc/26/74/83/566267483.db2.gz PJSFQSJBKKALRJ-OAHLLOKOSA-N -1 3 375.824 3.329 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cccnc1OCC(F)F)c1nc(C)cs1 ZINC000625015090 566267799 /nfs/dbraw/zinc/26/77/99/566267799.db2.gz CZGFOPHCZAMNBO-HNNXBMFYSA-N -1 3 391.465 3.094 20 0 GGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000534978294 566268394 /nfs/dbraw/zinc/26/83/94/566268394.db2.gz PJAGCAWLCHYSKL-VIFPVBQESA-N -1 3 377.297 3.416 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc4c(c3)C(=O)CCC4)CCC2)n1 ZINC000575369876 566270307 /nfs/dbraw/zinc/27/03/07/566270307.db2.gz CSPJJMARQHIDGH-UHFFFAOYSA-N -1 3 376.503 3.328 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)Cc1ccncc1 ZINC000625047865 566270694 /nfs/dbraw/zinc/27/06/94/566270694.db2.gz ZFDIYGNQAALWEY-LLVKDONJSA-N -1 3 387.274 3.201 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)c1ccncc1 ZINC000625046233 566271092 /nfs/dbraw/zinc/27/10/92/566271092.db2.gz GVFRQDLZKPMBLG-NSHDSACASA-N -1 3 387.274 3.374 20 0 GGADHM CSc1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000509179099 566271566 /nfs/dbraw/zinc/27/15/66/566271566.db2.gz OBGKAPDSULRGON-UHFFFAOYSA-N -1 3 388.308 3.355 20 0 GGADHM CC(C)c1n[nH]cc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000445193619 566272754 /nfs/dbraw/zinc/27/27/54/566272754.db2.gz SXSZMUVZAAAVPT-UHFFFAOYSA-N -1 3 392.232 3.499 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCOC2CCCC2)s1 ZINC000462277347 566273820 /nfs/dbraw/zinc/27/38/20/566273820.db2.gz YUXHGBPFBRISDJ-UHFFFAOYSA-N -1 3 382.345 3.447 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)cc1OC ZINC000482014195 566274872 /nfs/dbraw/zinc/27/48/72/566274872.db2.gz DORHQZBFRXORRB-UHFFFAOYSA-N -1 3 385.844 3.464 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)c(C)o1 ZINC000509212309 566277607 /nfs/dbraw/zinc/27/76/07/566277607.db2.gz QNISBDNGXZESGF-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000625116315 566277766 /nfs/dbraw/zinc/27/77/66/566277766.db2.gz HSUUOXNLWODEDH-UHFFFAOYSA-N -1 3 399.285 3.302 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000625106833 566277961 /nfs/dbraw/zinc/27/79/61/566277961.db2.gz SPGPNQQLIXGWQV-UHFFFAOYSA-N -1 3 394.306 3.259 20 0 GGADHM CCc1ccccc1[C@@H](N)C[N-]S(=O)(=O)c1sccc1Br ZINC000420451029 566278503 /nfs/dbraw/zinc/27/85/03/566278503.db2.gz BHEQTXFDUKRINT-ZDUSSCGKSA-N -1 3 389.340 3.051 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)s1 ZINC000462300665 566278613 /nfs/dbraw/zinc/27/86/13/566278613.db2.gz WBPOWMBTBHGSMC-CQSZACIVSA-N -1 3 387.523 3.325 20 0 GGADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)c(C)c1 ZINC000462299460 566278742 /nfs/dbraw/zinc/27/87/42/566278742.db2.gz TZDJFQDIIIMIQL-CYBMUJFWSA-N -1 3 383.311 3.370 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000482053368 566278857 /nfs/dbraw/zinc/27/88/57/566278857.db2.gz USFZJHRTPAEPAD-ZDUSSCGKSA-N -1 3 389.257 3.001 20 0 GGADHM CC(C)O[C@@H]1C[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482053898 566278919 /nfs/dbraw/zinc/27/89/19/566278919.db2.gz VHUITZAROSXDDK-ZIAGYGMSSA-N -1 3 395.301 3.232 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000575634517 566279174 /nfs/dbraw/zinc/27/91/74/566279174.db2.gz YQRGEJCYSCYMHU-UKRRQHHQSA-N -1 3 398.937 3.132 20 0 GGADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462305138 566279415 /nfs/dbraw/zinc/27/94/15/566279415.db2.gz ZUFQSJMLCQOYGZ-LBPRGKRZSA-N -1 3 399.310 3.325 20 0 GGADHM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055054 566279418 /nfs/dbraw/zinc/27/94/18/566279418.db2.gz XFPOSSPIFKZWOV-LSDHHAIUSA-N -1 3 395.301 3.234 20 0 GGADHM COc1cc(Cl)cc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)c1 ZINC000556276639 566279935 /nfs/dbraw/zinc/27/99/35/566279935.db2.gz ZJSWGIRHJCOCKL-UHFFFAOYSA-N -1 3 379.825 3.437 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055051 566279842 /nfs/dbraw/zinc/27/98/42/566279842.db2.gz XFPOSSPIFKZWOV-CABCVRRESA-N -1 3 395.301 3.234 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C12CCC2 ZINC000462305626 566280142 /nfs/dbraw/zinc/28/01/42/566280142.db2.gz LJKVUMSFFRPWLK-GJZGRUSLSA-N -1 3 378.519 3.436 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCO1 ZINC000535142481 566281117 /nfs/dbraw/zinc/28/11/17/566281117.db2.gz MOAMUIAHIXTNHP-QWHCGFSZSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000482078212 566281253 /nfs/dbraw/zinc/28/12/53/566281253.db2.gz PTKOZKYISNVGHJ-CGTJXYLNSA-N -1 3 397.276 3.369 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCO1 ZINC000535142487 566281325 /nfs/dbraw/zinc/28/13/25/566281325.db2.gz MOAMUIAHIXTNHP-STQMWFEESA-N -1 3 382.707 3.338 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC[C@@H](C)c2ccc(OC)cc2)c1 ZINC000462317690 566281345 /nfs/dbraw/zinc/28/13/45/566281345.db2.gz CRGWIBSECYQNAK-GFCCVEGCSA-N -1 3 383.491 3.015 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1c[nH]c2ccccc12 ZINC000482077619 566281476 /nfs/dbraw/zinc/28/14/76/566281476.db2.gz OVEZBFXIMZIVBH-UHFFFAOYSA-N -1 3 398.264 3.364 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2cc(Cl)ccc2OC)o1 ZINC000462319087 566281736 /nfs/dbraw/zinc/28/17/36/566281736.db2.gz OHRKBBZILMEIBG-OAHLLOKOSA-N -1 3 387.885 3.311 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cc(Cl)ccc2OC)o1 ZINC000462319086 566281859 /nfs/dbraw/zinc/28/18/59/566281859.db2.gz OHRKBBZILMEIBG-HNNXBMFYSA-N -1 3 387.885 3.311 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2OC)c1 ZINC000462317114 566281873 /nfs/dbraw/zinc/28/18/73/566281873.db2.gz VCHJXMPUCMVHIR-ZWKOTPCHSA-N -1 3 381.881 3.366 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1 ZINC000535157619 566282525 /nfs/dbraw/zinc/28/25/25/566282525.db2.gz IYVFUEQYUIQJQV-INIZCTEOSA-N -1 3 385.844 3.023 20 0 GGADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)nn1[C@H](C)C1CC1 ZINC000648431901 566282602 /nfs/dbraw/zinc/28/26/02/566282602.db2.gz IQPAWBVNAXSZKQ-SECBINFHSA-N -1 3 375.782 3.249 20 0 GGADHM CCCn1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1C1CC1 ZINC000648431703 566282770 /nfs/dbraw/zinc/28/27/70/566282770.db2.gz AVTDAFJXRMDWNP-UHFFFAOYSA-N -1 3 375.782 3.257 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C12CCC2 ZINC000462327224 566282966 /nfs/dbraw/zinc/28/29/66/566282966.db2.gz NNEWIHXTUBPLFY-KGLIPLIRSA-N -1 3 392.290 3.214 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)CCCCCC1 ZINC000535158568 566283076 /nfs/dbraw/zinc/28/30/76/566283076.db2.gz CMSWLLIHBRFDSE-UHFFFAOYSA-N -1 3 377.865 3.165 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000535156819 566283260 /nfs/dbraw/zinc/28/32/60/566283260.db2.gz FJUQDSMKMSSMND-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM CC[C@@H](C)Oc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)ccn1 ZINC000648431800 566283806 /nfs/dbraw/zinc/28/38/06/566283806.db2.gz FEHRJGVFIJVCCM-SECBINFHSA-N -1 3 376.766 3.345 20 0 GGADHM COCC(C)(C)CCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482129607 566284282 /nfs/dbraw/zinc/28/42/82/566284282.db2.gz KAPSBSCMKDGFOV-UHFFFAOYSA-N -1 3 383.290 3.093 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cnc([C@H]2CCCO2)s1 ZINC000648432040 566284381 /nfs/dbraw/zinc/28/43/81/566284381.db2.gz NKIRLVQMSLRYCZ-MRVPVSSYSA-N -1 3 380.779 3.081 20 0 GGADHM CC[C@@H](Oc1ccccc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432852 566284507 /nfs/dbraw/zinc/28/45/07/566284507.db2.gz JXPROTRRMMLCPA-LLVKDONJSA-N -1 3 379.741 3.456 20 0 GGADHM CC(C)Cn1ccc2c1cccc2C(=O)N=c1[n-]n(C)cc1Br ZINC000648439745 566284527 /nfs/dbraw/zinc/28/45/27/566284527.db2.gz APGBAHAHXYZVRD-UHFFFAOYSA-N -1 3 375.270 3.468 20 0 GGADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1Cc2ccccc2C1 ZINC000482126676 566284445 /nfs/dbraw/zinc/28/44/45/566284445.db2.gz ASHASPZGCBQZQF-UHFFFAOYSA-N -1 3 385.265 3.150 20 0 GGADHM COC(=O)COc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1Cl ZINC000509271088 566284504 /nfs/dbraw/zinc/28/45/04/566284504.db2.gz BXKZRXDWBLVQMA-UHFFFAOYSA-N -1 3 384.215 3.432 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432853 566284563 /nfs/dbraw/zinc/28/45/63/566284563.db2.gz JXPROTRRMMLCPA-NSHDSACASA-N -1 3 379.741 3.456 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648432045 566284756 /nfs/dbraw/zinc/28/47/56/566284756.db2.gz NOTIOBAKMYIBPS-JTQLQIEISA-N -1 3 375.778 3.347 20 0 GGADHM CC(C)c1ncc(Cl)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000648433076 566284951 /nfs/dbraw/zinc/28/49/51/566284951.db2.gz RVUQNQHECAAVKP-UHFFFAOYSA-N -1 3 382.173 3.340 20 0 GGADHM CN(C)[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc(Cl)c1 ZINC000648432343 566285226 /nfs/dbraw/zinc/28/52/26/566285226.db2.gz YSDPCDDNYOGJQY-GFCCVEGCSA-N -1 3 395.212 3.416 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1SCCc2ccccc21 ZINC000648432666 566285438 /nfs/dbraw/zinc/28/54/38/566285438.db2.gz DODBTLUQQWZKTL-LBPRGKRZSA-N -1 3 375.803 3.490 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000648433665 566285504 /nfs/dbraw/zinc/28/55/04/566285504.db2.gz JBXSYSRFQKGYCX-VIFPVBQESA-N -1 3 394.180 3.364 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000648433083 566285568 /nfs/dbraw/zinc/28/55/68/566285568.db2.gz SANDCJSJJULNTL-ZETCQYMHSA-N -1 3 382.795 3.327 20 0 GGADHM CCCCn1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1CC ZINC000648432210 566285623 /nfs/dbraw/zinc/28/56/23/566285623.db2.gz UACHBTJTVKFCNS-UHFFFAOYSA-N -1 3 377.798 3.332 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1sccc1OC(F)F ZINC000648433050 566285679 /nfs/dbraw/zinc/28/56/79/566285679.db2.gz QNQFRJCJPNKBEB-UHFFFAOYSA-N -1 3 375.706 3.436 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1COc2ccc(Cl)cc2C1 ZINC000648433664 566285695 /nfs/dbraw/zinc/28/56/95/566285695.db2.gz JBXSYSRFQKGYCX-SECBINFHSA-N -1 3 394.180 3.364 20 0 GGADHM Cc1ccccc1OCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482134897 566286785 /nfs/dbraw/zinc/28/67/85/566286785.db2.gz XXRFNDQYUGHPGU-UHFFFAOYSA-N -1 3 389.253 3.028 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(CCc4ccncc4)n3)[n-]2)c1 ZINC000556331938 566286926 /nfs/dbraw/zinc/28/69/26/566286926.db2.gz VLFSHMNISLNSKB-UHFFFAOYSA-N -1 3 397.236 3.464 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(CCc4ccncc4)n3)n2)c1 ZINC000556331938 566286937 /nfs/dbraw/zinc/28/69/37/566286937.db2.gz VLFSHMNISLNSKB-UHFFFAOYSA-N -1 3 397.236 3.464 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(CCc4ccncc4)n3)n[n-]2)c1 ZINC000556331938 566286946 /nfs/dbraw/zinc/28/69/46/566286946.db2.gz VLFSHMNISLNSKB-UHFFFAOYSA-N -1 3 397.236 3.464 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1cc(F)ccc1F ZINC000462339466 566287911 /nfs/dbraw/zinc/28/79/11/566287911.db2.gz HYVLREICLKXNLA-ZDUSSCGKSA-N -1 3 375.418 3.243 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cnn(C)c1 ZINC000462340615 566288012 /nfs/dbraw/zinc/28/80/12/566288012.db2.gz LSFBIPXPRNWIEO-SNVBAGLBSA-N -1 3 382.898 3.237 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482170734 566288506 /nfs/dbraw/zinc/28/85/06/566288506.db2.gz RQOVVTKBEBVZCM-KBPBESRZSA-N -1 3 395.301 3.186 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc2c(c1)N(CC(F)F)CCS2 ZINC000556351397 566288678 /nfs/dbraw/zinc/28/86/78/566288678.db2.gz XQSKNHQGEBPLPP-ZDUSSCGKSA-N -1 3 392.493 3.175 20 0 GGADHM CCOCCC1(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CCC1 ZINC000482166794 566289300 /nfs/dbraw/zinc/28/93/00/566289300.db2.gz GDNDEASZTJHZEW-UHFFFAOYSA-N -1 3 395.301 3.237 20 0 GGADHM CN(Cc1cc(F)cc(F)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482184664 566290809 /nfs/dbraw/zinc/29/08/09/566290809.db2.gz JJJCOEJPKNJXSY-UHFFFAOYSA-N -1 3 395.207 3.461 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]Cc1ccc(-c2nc3ccccc3s2)o1)OC ZINC000420644041 566291313 /nfs/dbraw/zinc/29/13/13/566291313.db2.gz GWUQZVGNCOCFQB-LBPRGKRZSA-N -1 3 380.491 3.401 20 0 GGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000556376645 566292154 /nfs/dbraw/zinc/29/21/54/566292154.db2.gz UQRZZLCVOLXRFW-QWRGUYRKSA-N -1 3 377.890 3.238 20 0 GGADHM O=C([N-]c1nn2cnnc2s1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000648514344 566292301 /nfs/dbraw/zinc/29/23/01/566292301.db2.gz QLFAXRLGYNCLID-UHFFFAOYSA-N -1 3 378.845 3.198 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000482191388 566292157 /nfs/dbraw/zinc/29/21/57/566292157.db2.gz GNYINNBAVRRJSD-OCCSQVGLSA-N -1 3 378.416 3.157 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1cc(F)ccc1OC(F)F ZINC000420660278 566292277 /nfs/dbraw/zinc/29/22/77/566292277.db2.gz JSBXPGICUZCBMV-STQMWFEESA-N -1 3 375.343 3.401 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1Cl ZINC000482204524 566292345 /nfs/dbraw/zinc/29/23/45/566292345.db2.gz DOYZGJNZNHSBPR-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1Cl ZINC000482204524 566292351 /nfs/dbraw/zinc/29/23/51/566292351.db2.gz DOYZGJNZNHSBPR-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1Cl ZINC000482204524 566292357 /nfs/dbraw/zinc/29/23/57/566292357.db2.gz DOYZGJNZNHSBPR-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)o1 ZINC000625226560 566292548 /nfs/dbraw/zinc/29/25/48/566292548.db2.gz PYZNCDCNHSMQGN-UHFFFAOYSA-N -1 3 391.262 3.234 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482202962 566292615 /nfs/dbraw/zinc/29/26/15/566292615.db2.gz XDZZBUKPAHHODS-YPMHNXCESA-N -1 3 383.315 3.314 20 0 GGADHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420660653 566292740 /nfs/dbraw/zinc/29/27/40/566292740.db2.gz KQGCBYNICWMYCC-SSDOTTSWSA-N -1 3 397.749 3.187 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc2ccccc2n1 ZINC000482207098 566292772 /nfs/dbraw/zinc/29/27/72/566292772.db2.gz HIYQAADTWAMVPS-UHFFFAOYSA-N -1 3 396.248 3.389 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000482211189 566292875 /nfs/dbraw/zinc/29/28/75/566292875.db2.gz ODYIQISROWZJML-XJKSGUPXSA-N -1 3 385.265 3.271 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1cccc(Cl)c1 ZINC000556377022 566292910 /nfs/dbraw/zinc/29/29/10/566292910.db2.gz SXLXMCOVKSSJKK-OAHLLOKOSA-N -1 3 386.901 3.433 20 0 GGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000482209941 566292946 /nfs/dbraw/zinc/29/29/46/566292946.db2.gz KXHNYKLSATYJQE-WDEREUQCSA-N -1 3 378.947 3.011 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509351753 566293326 /nfs/dbraw/zinc/29/33/26/566293326.db2.gz STSFIVCVBMEBFF-NXEZZACHSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H](CNc1ccccc1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482233547 566293565 /nfs/dbraw/zinc/29/35/65/566293565.db2.gz SSPJAAKVMFWZLW-GFCCVEGCSA-N -1 3 388.269 3.141 20 0 GGADHM CCS[C@H]1CCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234073 566293593 /nfs/dbraw/zinc/29/35/93/566293593.db2.gz VPOVJCTUVLFXMC-STQMWFEESA-N -1 3 383.315 3.314 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000482228427 566293615 /nfs/dbraw/zinc/29/36/15/566293615.db2.gz BTBYRVDXYFYWQK-VIFPVBQESA-N -1 3 391.191 3.325 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000482228167 566293623 /nfs/dbraw/zinc/29/36/23/566293623.db2.gz JDUJYWHHSFBLOK-VHSXEESVSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000482228167 566293626 /nfs/dbraw/zinc/29/36/26/566293626.db2.gz JDUJYWHHSFBLOK-VHSXEESVSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000482228167 566293628 /nfs/dbraw/zinc/29/36/28/566293628.db2.gz JDUJYWHHSFBLOK-VHSXEESVSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000482231847 566293744 /nfs/dbraw/zinc/29/37/44/566293744.db2.gz XUBKCUGKUZEYBI-ZJUUUORDSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000482231847 566293748 /nfs/dbraw/zinc/29/37/48/566293748.db2.gz XUBKCUGKUZEYBI-ZJUUUORDSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000482231847 566293750 /nfs/dbraw/zinc/29/37/50/566293750.db2.gz XUBKCUGKUZEYBI-ZJUUUORDSA-N -1 3 389.175 3.006 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C2CC2)n1 ZINC000462392798 566293792 /nfs/dbraw/zinc/29/37/92/566293792.db2.gz ILACWMJVZGDXDH-LBPRGKRZSA-N -1 3 388.312 3.039 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482231370 566293852 /nfs/dbraw/zinc/29/38/52/566293852.db2.gz KSRINEIOSUGUFE-MLGOLLRUSA-N -1 3 395.301 3.091 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000482228165 566293908 /nfs/dbraw/zinc/29/39/08/566293908.db2.gz JDUJYWHHSFBLOK-NXEZZACHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000482228165 566293915 /nfs/dbraw/zinc/29/39/15/566293915.db2.gz JDUJYWHHSFBLOK-NXEZZACHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000482228165 566293921 /nfs/dbraw/zinc/29/39/21/566293921.db2.gz JDUJYWHHSFBLOK-NXEZZACHSA-N -1 3 389.175 3.006 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H]2CCCO[C@@H]21 ZINC000420664133 566294116 /nfs/dbraw/zinc/29/41/16/566294116.db2.gz ACBMYUKKFSGYBW-HONMWMINSA-N -1 3 395.855 3.423 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000462397386 566294218 /nfs/dbraw/zinc/29/42/18/566294218.db2.gz MWLUNAIAUIBOMD-LLVKDONJSA-N -1 3 389.290 3.226 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCOCC1 ZINC000462389008 566294779 /nfs/dbraw/zinc/29/47/79/566294779.db2.gz BAADZNHIQDAYFQ-UHFFFAOYSA-N -1 3 384.350 3.492 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000420665511 566294755 /nfs/dbraw/zinc/29/47/55/566294755.db2.gz BFPBEOMZBZFAGM-COXVUDFISA-N -1 3 393.908 3.290 20 0 GGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420664500 566294832 /nfs/dbraw/zinc/29/48/32/566294832.db2.gz AATFAHVNBSEFTE-VIFPVBQESA-N -1 3 393.408 3.428 20 0 GGADHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420664421 566295118 /nfs/dbraw/zinc/29/51/18/566295118.db2.gz FHFNOFJRIUEHGR-SECBINFHSA-N -1 3 399.843 3.340 20 0 GGADHM O=S(=O)([N-]c1ccccc1I)c1cncc(Cl)c1 ZINC000535326433 566295518 /nfs/dbraw/zinc/29/55/18/566295518.db2.gz SXAWUPARVXAACJ-UHFFFAOYSA-N -1 3 394.621 3.140 20 0 GGADHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)cc1Br ZINC000482249619 566295696 /nfs/dbraw/zinc/29/56/96/566295696.db2.gz ZGCAEAHTMFNBPE-UHFFFAOYSA-N -1 3 377.164 3.133 20 0 GGADHM Cc1cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(C)cc1Br ZINC000482249619 566295688 /nfs/dbraw/zinc/29/56/88/566295688.db2.gz ZGCAEAHTMFNBPE-UHFFFAOYSA-N -1 3 377.164 3.133 20 0 GGADHM Cc1cc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c(C)cc1Br ZINC000482249619 566295692 /nfs/dbraw/zinc/29/56/92/566295692.db2.gz ZGCAEAHTMFNBPE-UHFFFAOYSA-N -1 3 377.164 3.133 20 0 GGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482245350 566295926 /nfs/dbraw/zinc/29/59/26/566295926.db2.gz PZZABAQSCZUDHG-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482245350 566295933 /nfs/dbraw/zinc/29/59/33/566295933.db2.gz PZZABAQSCZUDHG-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482245350 566295942 /nfs/dbraw/zinc/29/59/42/566295942.db2.gz PZZABAQSCZUDHG-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCOCC1 ZINC000462402633 566295917 /nfs/dbraw/zinc/29/59/17/566295917.db2.gz OJNQUZWBZGBKHM-UHFFFAOYSA-N -1 3 384.548 3.001 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C)n2ccnc21 ZINC000625244337 566296132 /nfs/dbraw/zinc/29/61/32/566296132.db2.gz YFTIHELDKPUFRD-SKDRFNHKSA-N -1 3 388.262 3.077 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000509382862 566296248 /nfs/dbraw/zinc/29/62/48/566296248.db2.gz FWVCESILCNBOMT-UHFFFAOYSA-N -1 3 377.340 3.245 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1cccc2c1OCO2 ZINC000509386608 566296502 /nfs/dbraw/zinc/29/65/02/566296502.db2.gz LTWKPJZPWQVTEA-UHFFFAOYSA-N -1 3 392.177 3.257 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)Cc1cc(C)no1)c1ccc(Cl)c(Cl)c1 ZINC000556405589 566296891 /nfs/dbraw/zinc/29/68/91/566296891.db2.gz CDWAZUJUYBMQCQ-HNNXBMFYSA-N -1 3 393.292 3.487 20 0 GGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000420668976 566296922 /nfs/dbraw/zinc/29/69/22/566296922.db2.gz KOEFBKUIIKSUBV-UHFFFAOYSA-N -1 3 391.827 3.035 20 0 GGADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420671733 566297306 /nfs/dbraw/zinc/29/73/06/566297306.db2.gz JKMXHRLSHVEJKN-QMMMGPOBSA-N -1 3 394.827 3.456 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)s1 ZINC000462407561 566297419 /nfs/dbraw/zinc/29/74/19/566297419.db2.gz KTGHDLGBNPFEKK-SNVBAGLBSA-N -1 3 391.356 3.457 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000462408870 566297930 /nfs/dbraw/zinc/29/79/30/566297930.db2.gz OOIVRDHYHQOWLL-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000535352984 566298229 /nfs/dbraw/zinc/29/82/29/566298229.db2.gz DLYFSYVSPULVNS-AWEZNQCLSA-N -1 3 381.450 3.128 20 0 GGADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)c1F ZINC000535347477 566298498 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CC(C)c1csc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000420688139 566300534 /nfs/dbraw/zinc/30/05/34/566300534.db2.gz DZNGLSMFJDLVSF-UHFFFAOYSA-N -1 3 380.413 3.486 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)s1 ZINC000420686914 566300556 /nfs/dbraw/zinc/30/05/56/566300556.db2.gz IIEPUMOXCJQTIW-ZCFIWIBFSA-N -1 3 383.829 3.141 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420683468 566300611 /nfs/dbraw/zinc/30/06/11/566300611.db2.gz BDPLRVRGSCWZHK-UHFFFAOYSA-N -1 3 376.812 3.166 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000420685778 566300634 /nfs/dbraw/zinc/30/06/34/566300634.db2.gz ITPBXVBXGIIYCA-AAEUAGOBSA-N -1 3 383.844 3.423 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000420687879 566300654 /nfs/dbraw/zinc/30/06/54/566300654.db2.gz LQQOWAHYFQINDD-BRWVUGGUSA-N -1 3 375.918 3.151 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c(Br)c1 ZINC000462424105 566300656 /nfs/dbraw/zinc/30/06/56/566300656.db2.gz CARFIOSRHYJLFZ-ZYHUDNBSSA-N -1 3 390.299 3.093 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)s1 ZINC000462424780 566300676 /nfs/dbraw/zinc/30/06/76/566300676.db2.gz BYSWHQOUTAICFB-UHFFFAOYSA-N -1 3 395.388 3.362 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000420685278 566300662 /nfs/dbraw/zinc/30/06/62/566300662.db2.gz XXGVKVQAHLOOPM-INIZCTEOSA-N -1 3 380.535 3.090 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)s1 ZINC000420688412 566300668 /nfs/dbraw/zinc/30/06/68/566300668.db2.gz LKLSEJPOVSJXSD-MRVPVSSYSA-N -1 3 380.413 3.274 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000420684160 566300718 /nfs/dbraw/zinc/30/07/18/566300718.db2.gz GKUGYDKPNNXXAM-LBPRGKRZSA-N -1 3 383.844 3.161 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1OC(F)F ZINC000420690492 566300731 /nfs/dbraw/zinc/30/07/31/566300731.db2.gz HKYPOYJLVZTVCN-JTQLQIEISA-N -1 3 377.800 3.020 20 0 GGADHM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1ccc(Br)cn1 ZINC000462426087 566300959 /nfs/dbraw/zinc/30/09/59/566300959.db2.gz GTHZSFCBTHDARC-GFCCVEGCSA-N -1 3 385.308 3.360 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc(Cl)c1F)c1ccc(F)cc1Cl ZINC000509406507 566300987 /nfs/dbraw/zinc/30/09/87/566300987.db2.gz XOYGOEAEBYZDKY-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC000509410357 566301997 /nfs/dbraw/zinc/30/19/97/566301997.db2.gz LMUGXKHXLXUBNM-BXUZGUMPSA-N -1 3 386.876 3.264 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1ccco1 ZINC000420692346 566301970 /nfs/dbraw/zinc/30/19/70/566301970.db2.gz RTKKFJWYHKSWKE-NSHDSACASA-N -1 3 379.356 3.076 20 0 GGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420693543 566302274 /nfs/dbraw/zinc/30/22/74/566302274.db2.gz UKGVQBNZLMNFMR-GFCCVEGCSA-N -1 3 382.860 3.093 20 0 GGADHM O=S(=O)([N-]CCCCOc1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000462433878 566302356 /nfs/dbraw/zinc/30/23/56/566302356.db2.gz AORUBYOHGWPSAU-UHFFFAOYSA-N -1 3 377.359 3.381 20 0 GGADHM O=S(=O)([N-]Cc1csc(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000462433729 566302410 /nfs/dbraw/zinc/30/24/10/566302410.db2.gz WVRYZUFMTHQXPO-UHFFFAOYSA-N -1 3 386.214 3.406 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)c2c(c1)OCCO2)c1cc(F)c(F)c(F)c1 ZINC000462437257 566302424 /nfs/dbraw/zinc/30/24/24/566302424.db2.gz OBVZZVLWOCUZIK-UHFFFAOYSA-N -1 3 393.770 3.007 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c(Cl)c1Cl ZINC000462437476 566302500 /nfs/dbraw/zinc/30/25/00/566302500.db2.gz ATVNGRPUAMBTPZ-NSHDSACASA-N -1 3 388.272 3.284 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)cc2cccnc21 ZINC000535412030 566303053 /nfs/dbraw/zinc/30/30/53/566303053.db2.gz MWLLOBVIVGOOEZ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)cc2cccnc21 ZINC000535412030 566303063 /nfs/dbraw/zinc/30/30/63/566303063.db2.gz MWLLOBVIVGOOEZ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1cc(Cl)ccc1OC(F)F ZINC000420699726 566303157 /nfs/dbraw/zinc/30/31/57/566303157.db2.gz CXQDCZNNLWBALM-CQSZACIVSA-N -1 3 399.843 3.153 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc(C)n1 ZINC000420699583 566303220 /nfs/dbraw/zinc/30/32/20/566303220.db2.gz NESYCRBEARHSQR-UHFFFAOYSA-N -1 3 378.347 3.215 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420696878 566303315 /nfs/dbraw/zinc/30/33/15/566303315.db2.gz OTDYUPDWPPTXNC-QMMMGPOBSA-N -1 3 378.372 3.114 20 0 GGADHM O=S(=O)([N-]CCSCC(F)(F)F)c1cc(F)ccc1OC(F)F ZINC000420695501 566303464 /nfs/dbraw/zinc/30/34/64/566303464.db2.gz XDCMYNHEQGDDSN-UHFFFAOYSA-N -1 3 383.335 3.001 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000535421709 566303525 /nfs/dbraw/zinc/30/35/25/566303525.db2.gz JJHOYJSMYIPIDV-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000420698195 566303667 /nfs/dbraw/zinc/30/36/67/566303667.db2.gz KSHOWUPQAINDCB-VFZGTOFNSA-N -1 3 383.844 3.423 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1cc(Cl)ccc1C(F)(F)F ZINC000509428138 566303794 /nfs/dbraw/zinc/30/37/94/566303794.db2.gz BSXXSSWZMXCJDR-UHFFFAOYSA-N -1 3 379.787 3.330 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420701672 566303798 /nfs/dbraw/zinc/30/37/98/566303798.db2.gz SYVJPHDQVGEEHP-UHFFFAOYSA-N -1 3 378.372 3.018 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)s1 ZINC000462441391 566304154 /nfs/dbraw/zinc/30/41/54/566304154.db2.gz NRICNBPTYGVIOI-WDEREUQCSA-N -1 3 395.388 3.360 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C)c2)c(Br)c1 ZINC000462445174 566304456 /nfs/dbraw/zinc/30/44/56/566304456.db2.gz GXNSRQCKJPWKCE-UHFFFAOYSA-N -1 3 398.278 3.023 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)N1CCCC[C@H]1C ZINC000462440421 566304755 /nfs/dbraw/zinc/30/47/55/566304755.db2.gz KPWYTDRNBYAMPP-NEPJUHHUSA-N -1 3 393.322 3.129 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000420705547 566305045 /nfs/dbraw/zinc/30/50/45/566305045.db2.gz IVOIASSHDWZOQS-ZSBIGDGJSA-N -1 3 381.416 3.299 20 0 GGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000445700949 566304999 /nfs/dbraw/zinc/30/49/99/566304999.db2.gz ZMGSCGPPCRQCDE-JTQLQIEISA-N -1 3 375.210 3.099 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000509436269 566305464 /nfs/dbraw/zinc/30/54/64/566305464.db2.gz KAIGCUPCMGVAMV-ZDUSSCGKSA-N -1 3 379.787 3.371 20 0 GGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000445695949 566305529 /nfs/dbraw/zinc/30/55/29/566305529.db2.gz AUQOAKNSUVSFEG-HNNXBMFYSA-N -1 3 375.416 3.187 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462460301 566306030 /nfs/dbraw/zinc/30/60/30/566306030.db2.gz RKVZROZWPAVAFO-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000445725901 566306511 /nfs/dbraw/zinc/30/65/11/566306511.db2.gz RXUYLUGTDDNQGP-ZDUSSCGKSA-N -1 3 379.379 3.267 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccccc2F)s1 ZINC000462461606 566306477 /nfs/dbraw/zinc/30/64/77/566306477.db2.gz DQDWSRACDFWXBI-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM CS(=O)(=O)c1ccnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000556479392 566306601 /nfs/dbraw/zinc/30/66/01/566306601.db2.gz RKWITKGYTTVRGI-UHFFFAOYSA-N -1 3 377.809 3.046 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000420712458 566306620 /nfs/dbraw/zinc/30/66/20/566306620.db2.gz SPIHVPVXPYZCOE-UHFFFAOYSA-N -1 3 376.812 3.166 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)c1 ZINC000445725504 566306696 /nfs/dbraw/zinc/30/66/96/566306696.db2.gz QPPAUTJTVOGCRG-GFCCVEGCSA-N -1 3 387.807 3.382 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000535456752 566306870 /nfs/dbraw/zinc/30/68/70/566306870.db2.gz YVKUAJQQSQERCE-WFASDCNBSA-N -1 3 379.400 3.106 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1cc(F)ccc1OC(F)F ZINC000420714362 566307326 /nfs/dbraw/zinc/30/73/26/566307326.db2.gz ZZPVEVDEQYYZAK-NXEZZACHSA-N -1 3 389.342 3.256 20 0 GGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1COc2ccc(Br)cc21 ZINC000535481564 566308108 /nfs/dbraw/zinc/30/81/08/566308108.db2.gz XALPWASYWHSDSY-AWEZNQCLSA-N -1 3 384.233 3.376 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCN2CCCC[C@@H]2C)s1 ZINC000462469105 566308291 /nfs/dbraw/zinc/30/82/91/566308291.db2.gz AUPRIIUFCPKOQG-NSHDSACASA-N -1 3 395.388 3.362 20 0 GGADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1cc(Cl)ccc1OC(F)F ZINC000420721022 566308305 /nfs/dbraw/zinc/30/83/05/566308305.db2.gz IEQPYRUCWMARCF-UHFFFAOYSA-N -1 3 392.811 3.287 20 0 GGADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1ccco1 ZINC000445734960 566308483 /nfs/dbraw/zinc/30/84/83/566308483.db2.gz UEDVMDJAWAGARM-CYBMUJFWSA-N -1 3 392.260 3.039 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1cc(Cl)ccc1Br ZINC000420722044 566308622 /nfs/dbraw/zinc/30/86/22/566308622.db2.gz WAWWLUFVWRLLDG-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1Cl ZINC000462472941 566309071 /nfs/dbraw/zinc/30/90/71/566309071.db2.gz JXTBVPNMGSEOAC-OAHLLOKOSA-N -1 3 392.830 3.339 20 0 GGADHM COc1ccccc1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462481429 566309252 /nfs/dbraw/zinc/30/92/52/566309252.db2.gz XOBJJZJTJBCCNX-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM CCSCCCc1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000445742361 566309395 /nfs/dbraw/zinc/30/93/95/566309395.db2.gz JWBHUTGBALKTCP-UHFFFAOYSA-N -1 3 387.502 3.248 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccns1 ZINC000625330560 566309421 /nfs/dbraw/zinc/30/94/21/566309421.db2.gz ONPCZLZKNATDTP-UHFFFAOYSA-N -1 3 391.312 3.173 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1ccc(Br)cc1Cl ZINC000420724208 566309703 /nfs/dbraw/zinc/30/97/03/566309703.db2.gz KSPRUIWTHJTNKJ-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM O=S(=O)([N-][C@@H]1Cc2cccc(O)c2C1)c1cc(Cl)ccc1OC(F)F ZINC000420729619 566309886 /nfs/dbraw/zinc/30/98/86/566309886.db2.gz QTZOAZNHTQURSM-LLVKDONJSA-N -1 3 389.807 3.093 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1Cl ZINC000462472938 566309899 /nfs/dbraw/zinc/30/98/99/566309899.db2.gz JXTBVPNMGSEOAC-HNNXBMFYSA-N -1 3 392.830 3.339 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509487637 566310392 /nfs/dbraw/zinc/31/03/92/566310392.db2.gz IRJLSIWXKLTZHR-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000462489266 566310701 /nfs/dbraw/zinc/31/07/01/566310701.db2.gz CVEKBHJKWTZOIK-LBPRGKRZSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000462489266 566310711 /nfs/dbraw/zinc/31/07/11/566310711.db2.gz CVEKBHJKWTZOIK-LBPRGKRZSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000462489266 566310717 /nfs/dbraw/zinc/31/07/17/566310717.db2.gz CVEKBHJKWTZOIK-LBPRGKRZSA-N -1 3 376.766 3.197 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)CC(C)C ZINC000462489415 566311148 /nfs/dbraw/zinc/31/11/48/566311148.db2.gz DRHOAFTZQHJBGC-JTQLQIEISA-N -1 3 398.308 3.116 20 0 GGADHM Cc1nn(C)c(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c1C(F)F ZINC000420734082 566311429 /nfs/dbraw/zinc/31/14/29/566311429.db2.gz IUQGVDGZXWLVAN-LLVKDONJSA-N -1 3 379.379 3.341 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)[C@H]2CCCO[C@@H]21 ZINC000462482877 566311312 /nfs/dbraw/zinc/31/13/12/566311312.db2.gz BTZFPEQSGCFWDJ-HONMWMINSA-N -1 3 392.290 3.070 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)CC(C)C ZINC000462489417 566311540 /nfs/dbraw/zinc/31/15/40/566311540.db2.gz DRHOAFTZQHJBGC-SNVBAGLBSA-N -1 3 398.308 3.116 20 0 GGADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cc(F)ccc1OC(F)F ZINC000420733644 566311638 /nfs/dbraw/zinc/31/16/38/566311638.db2.gz SVQURJPNGBQMAQ-UHFFFAOYSA-N -1 3 377.306 3.438 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]21 ZINC000462491313 566312278 /nfs/dbraw/zinc/31/22/78/566312278.db2.gz DPMSAXXPPQYFHD-NUEKZKHPSA-N -1 3 378.519 3.292 20 0 GGADHM CC(C)(C)OC(=O)CN(C(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC000600082284 566312334 /nfs/dbraw/zinc/31/23/34/566312334.db2.gz BEZIXXQGXAQEGY-UHFFFAOYSA-N -1 3 384.270 3.491 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(F)cc1Br ZINC000462498702 566312406 /nfs/dbraw/zinc/31/24/06/566312406.db2.gz FFYFZRYRQLIGMB-SWLSCSKDSA-N -1 3 384.270 3.498 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCN1C ZINC000462491077 566312769 /nfs/dbraw/zinc/31/27/69/566312769.db2.gz QMXCXVMFBZWYCU-RISCZKNCSA-N -1 3 385.942 3.225 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CC(C)C ZINC000462496693 566313208 /nfs/dbraw/zinc/31/32/08/566313208.db2.gz SOCPPOCCWINVDM-NSHDSACASA-N -1 3 382.309 3.415 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000509516213 566313250 /nfs/dbraw/zinc/31/32/50/566313250.db2.gz NFBQVNDQFFDCKH-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)cs1 ZINC000420743893 566313344 /nfs/dbraw/zinc/31/33/44/566313344.db2.gz WWMHDRPUGHZNPW-GFCCVEGCSA-N -1 3 375.418 3.210 20 0 GGADHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000669595898 566313625 /nfs/dbraw/zinc/31/36/25/566313625.db2.gz KZLPCFOQESMBDT-GFCCVEGCSA-N -1 3 391.265 3.231 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C3CCC(F)(F)CC3)cc2N1 ZINC000535578711 566313649 /nfs/dbraw/zinc/31/36/49/566313649.db2.gz GCUALFZIZOXPQD-UHFFFAOYSA-N -1 3 378.828 3.081 20 0 GGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420751218 566314106 /nfs/dbraw/zinc/31/41/06/566314106.db2.gz OLAZXUQRWNSMFX-VIFPVBQESA-N -1 3 395.321 3.063 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)Cc1cccs1 ZINC000462499056 566314379 /nfs/dbraw/zinc/31/43/79/566314379.db2.gz GPVGKRLUJYQIGO-SNVBAGLBSA-N -1 3 375.313 3.063 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)s1 ZINC000462504789 566314407 /nfs/dbraw/zinc/31/44/07/566314407.db2.gz NZWBXIPSPJVAMP-LLVKDONJSA-N -1 3 395.388 3.218 20 0 GGADHM Cc1ccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)n1 ZINC000669618701 566315277 /nfs/dbraw/zinc/31/52/77/566315277.db2.gz OIIWCKOZXIIPAU-LBPRGKRZSA-N -1 3 385.892 3.120 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2ccccc2C)s1 ZINC000462516834 566315394 /nfs/dbraw/zinc/31/53/94/566315394.db2.gz IUCCJIQOFVAZCV-UHFFFAOYSA-N -1 3 390.324 3.485 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Br)c1cc(F)c(F)c(F)c1 ZINC000462514274 566315410 /nfs/dbraw/zinc/31/54/10/566315410.db2.gz YBCRMUOTTLLVTG-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(C1CC1)C1CCCCC1 ZINC000669624101 566315555 /nfs/dbraw/zinc/31/55/55/566315555.db2.gz NHGQZKVDXLMULA-UHFFFAOYSA-N -1 3 381.889 3.006 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(C1CC1)C1CCCCC1 ZINC000669624101 566315559 /nfs/dbraw/zinc/31/55/59/566315559.db2.gz NHGQZKVDXLMULA-UHFFFAOYSA-N -1 3 381.889 3.006 20 0 GGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C12CCC2 ZINC000420761714 566315913 /nfs/dbraw/zinc/31/59/13/566315913.db2.gz YTMDTPVTRSXBLT-CHWSQXEVSA-N -1 3 381.828 3.177 20 0 GGADHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOCC1 ZINC000420755215 566316011 /nfs/dbraw/zinc/31/60/11/566316011.db2.gz BSJYOHXBVHROOG-LLVKDONJSA-N -1 3 389.926 3.417 20 0 GGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C12CCC2 ZINC000420761717 566316405 /nfs/dbraw/zinc/31/64/05/566316405.db2.gz YTMDTPVTRSXBLT-OLZOCXBDSA-N -1 3 381.828 3.177 20 0 GGADHM O=S(=O)([N-]CC1(c2ccc(Br)s2)CCC1)c1ccccn1 ZINC000509569101 566316550 /nfs/dbraw/zinc/31/65/50/566316550.db2.gz GAWTWIKSQKRAAJ-UHFFFAOYSA-N -1 3 387.324 3.306 20 0 GGADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1cc(F)c(F)c(F)c1 ZINC000462527867 566316775 /nfs/dbraw/zinc/31/67/75/566316775.db2.gz JLBAGDIEMHDERC-AWEZNQCLSA-N -1 3 375.343 3.435 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cs1 ZINC000462522005 566316994 /nfs/dbraw/zinc/31/69/94/566316994.db2.gz QBEYSZMEXUZSQU-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(Br)c(F)c1 ZINC000535685854 566318690 /nfs/dbraw/zinc/31/86/90/566318690.db2.gz KTRCODZRDVVWQF-UHFFFAOYSA-N -1 3 378.194 3.020 20 0 GGADHM COc1cccc2c(C(=O)Nc3ccc(I)cc3)[n-]nc21 ZINC000576140652 566319218 /nfs/dbraw/zinc/31/92/18/566319218.db2.gz YJNBTFHRGFTAPI-UHFFFAOYSA-N -1 3 393.184 3.428 20 0 GGADHM COc1cccc2c(C(=O)Nc3ccc(I)cc3)n[n-]c21 ZINC000576140652 566319226 /nfs/dbraw/zinc/31/92/26/566319226.db2.gz YJNBTFHRGFTAPI-UHFFFAOYSA-N -1 3 393.184 3.428 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000462543023 566320049 /nfs/dbraw/zinc/32/00/49/566320049.db2.gz HHDLCTQVXJKQNX-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)c(Cl)c1Cl ZINC000535691471 566321120 /nfs/dbraw/zinc/32/11/20/566321120.db2.gz DZRXGLXDKPMNBM-QMMMGPOBSA-N -1 3 393.296 3.283 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(I)c2)n1 ZINC000600181697 566322015 /nfs/dbraw/zinc/32/20/15/566322015.db2.gz WSCLAUCICDTALN-UHFFFAOYSA-N -1 3 383.233 3.120 20 0 GGADHM CN1CCCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000625422862 566322282 /nfs/dbraw/zinc/32/22/82/566322282.db2.gz UVFJIVRSGLKKFF-NSHDSACASA-N -1 3 384.851 3.369 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1Br)CO2 ZINC000535737649 566322682 /nfs/dbraw/zinc/32/26/82/566322682.db2.gz OMGGBIRZFADZFU-CQSZACIVSA-N -1 3 382.279 3.478 20 0 GGADHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000482638369 566323315 /nfs/dbraw/zinc/32/33/15/566323315.db2.gz ZWTJRYQFGMPSOX-ZETCQYMHSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000482638369 566323318 /nfs/dbraw/zinc/32/33/18/566323318.db2.gz ZWTJRYQFGMPSOX-ZETCQYMHSA-N -1 3 392.179 3.146 20 0 GGADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000482638369 566323323 /nfs/dbraw/zinc/32/33/23/566323323.db2.gz ZWTJRYQFGMPSOX-ZETCQYMHSA-N -1 3 392.179 3.146 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](C)CC ZINC000462565271 566324204 /nfs/dbraw/zinc/32/42/04/566324204.db2.gz LRWFJQGVCUQGFL-NOZJJQNGSA-N -1 3 385.379 3.101 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccccc1 ZINC000462572093 566325951 /nfs/dbraw/zinc/32/59/51/566325951.db2.gz KDCIZUVMRWYIIV-ZDUSSCGKSA-N -1 3 390.324 3.485 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000509660436 566326134 /nfs/dbraw/zinc/32/61/34/566326134.db2.gz ZQFPANXLDXRKKD-WBMJQRKESA-N -1 3 390.933 3.277 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N2CCCC2)o1 ZINC000509663219 566326200 /nfs/dbraw/zinc/32/62/00/566326200.db2.gz ISUORUGQUVFFDP-AWEZNQCLSA-N -1 3 386.876 3.496 20 0 GGADHM COC(=O)c1cncc(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1 ZINC000535761040 566326336 /nfs/dbraw/zinc/32/63/36/566326336.db2.gz SMSORNYDLCITKY-UHFFFAOYSA-N -1 3 392.487 3.326 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)[C@@H](C)CC ZINC000462584858 566326653 /nfs/dbraw/zinc/32/66/53/566326653.db2.gz OUMHBVRRJWJMBG-LKFCYVNXSA-N -1 3 398.308 3.258 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)[C@H](C)CC ZINC000462584859 566326811 /nfs/dbraw/zinc/32/68/11/566326811.db2.gz OUMHBVRRJWJMBG-OTYXRUKQSA-N -1 3 398.308 3.258 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)cc1OC ZINC000462589478 566328539 /nfs/dbraw/zinc/32/85/39/566328539.db2.gz DROKEUCFNFMVCH-LBPRGKRZSA-N -1 3 385.482 3.302 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2C(=O)Cc3ccccc32)c1Cl ZINC000509692384 566329288 /nfs/dbraw/zinc/32/92/88/566329288.db2.gz IGKHIXCSVGQKNK-UHFFFAOYSA-N -1 3 399.299 3.169 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccs1)Oc1ccc(Br)cc1 ZINC000462591931 566330129 /nfs/dbraw/zinc/33/01/29/566330129.db2.gz POYPKGLFTRMDHY-SNVBAGLBSA-N -1 3 376.297 3.256 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2ccsc2)cc1OC ZINC000669835036 566330226 /nfs/dbraw/zinc/33/02/26/566330226.db2.gz IQMJEGDJJJSUAM-LLVKDONJSA-N -1 3 383.495 3.401 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H](C(C)C)c3ccccc32)s1 ZINC000625510912 566330663 /nfs/dbraw/zinc/33/06/63/566330663.db2.gz KGUPANXLDBLYQL-GJZGRUSLSA-N -1 3 379.507 3.264 20 0 GGADHM CN(C)c1ncc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000576264194 566330796 /nfs/dbraw/zinc/33/07/96/566330796.db2.gz OQBAFTDKWHPYIM-UHFFFAOYSA-N -1 3 386.518 3.037 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000509714074 566331103 /nfs/dbraw/zinc/33/11/03/566331103.db2.gz RGHCLDYCFJAATE-SECBINFHSA-N -1 3 389.260 3.215 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nc1 ZINC000509717128 566331197 /nfs/dbraw/zinc/33/11/97/566331197.db2.gz FLLXLEXXGQJMHA-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000556802448 566331439 /nfs/dbraw/zinc/33/14/39/566331439.db2.gz OSYWQBFOFJADIH-CQSZACIVSA-N -1 3 381.416 3.048 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cn1)C1CC1 ZINC000556796053 566331972 /nfs/dbraw/zinc/33/19/72/566331972.db2.gz CAKKDNUERURNRO-UHFFFAOYSA-N -1 3 379.869 3.068 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000556802446 566332562 /nfs/dbraw/zinc/33/25/62/566332562.db2.gz OSYWQBFOFJADIH-AWEZNQCLSA-N -1 3 381.416 3.048 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCCC1 ZINC000625547825 566333477 /nfs/dbraw/zinc/33/34/77/566333477.db2.gz RAZDWJNGZKOTKQ-UHFFFAOYSA-N -1 3 380.691 3.140 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000509735515 566333663 /nfs/dbraw/zinc/33/36/63/566333663.db2.gz NMGWRDJLLFUUBG-SECBINFHSA-N -1 3 389.260 3.215 20 0 GGADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1 ZINC000462609574 566333735 /nfs/dbraw/zinc/33/37/35/566333735.db2.gz BPKQZGOQCQGTKP-LBPRGKRZSA-N -1 3 385.869 3.103 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C1CCCC1 ZINC000625547165 566334523 /nfs/dbraw/zinc/33/45/23/566334523.db2.gz YTOCCXNYSKOFCQ-UHFFFAOYSA-N -1 3 394.718 3.281 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CCCC1 ZINC000625544801 566334553 /nfs/dbraw/zinc/33/45/53/566334553.db2.gz CLHKTXZVGLTPBG-UHFFFAOYSA-N -1 3 385.791 3.276 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccsc1 ZINC000669900865 566335831 /nfs/dbraw/zinc/33/58/31/566335831.db2.gz JNTPVRQGGIWUGF-LRDDRELGSA-N -1 3 384.498 3.068 20 0 GGADHM Cc1ccc(-c2csc([N-]C(=O)c3sccc3S(N)(=O)=O)n2)s1 ZINC000669926484 566336640 /nfs/dbraw/zinc/33/66/40/566336640.db2.gz YCCDMGJIRWTOTR-UHFFFAOYSA-N -1 3 385.517 3.141 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCO1 ZINC000535897173 566336647 /nfs/dbraw/zinc/33/66/47/566336647.db2.gz KICLXQXCMKMCOH-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(NC[C@@H]1CCCSC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000576329879 566337152 /nfs/dbraw/zinc/33/71/52/566337152.db2.gz ZQRLRTPBNAABRY-JTQLQIEISA-N -1 3 381.295 3.164 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000509783055 566337640 /nfs/dbraw/zinc/33/76/40/566337640.db2.gz OTQWFABHSVOSMO-INIZCTEOSA-N -1 3 384.885 3.391 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)C[C@H]2CCCO2)nc1-c1ccc(Cl)cc1 ZINC000509787189 566338003 /nfs/dbraw/zinc/33/80/03/566338003.db2.gz HACXQWWPTUVPLA-CQSZACIVSA-N -1 3 386.926 3.370 20 0 GGADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000576347823 566338240 /nfs/dbraw/zinc/33/82/40/566338240.db2.gz HDYVFXFWXWUHBW-CYBMUJFWSA-N -1 3 386.677 3.300 20 0 GGADHM O=C(CC1=CCCCC1)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000576349773 566338379 /nfs/dbraw/zinc/33/83/79/566338379.db2.gz GJZAVAZFIMBHOC-UHFFFAOYSA-N -1 3 391.320 3.278 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)cn1C ZINC000625576801 566338950 /nfs/dbraw/zinc/33/89/50/566338950.db2.gz GDRCSNAAXDFTQZ-HNNXBMFYSA-N -1 3 378.885 3.219 20 0 GGADHM CCn1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1=O ZINC000509800469 566339221 /nfs/dbraw/zinc/33/92/21/566339221.db2.gz ZMWLRCDJTOPMAY-UHFFFAOYSA-N -1 3 394.802 3.019 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(F)cc1F ZINC000462679618 566339799 /nfs/dbraw/zinc/33/97/99/566339799.db2.gz PHPLLSANDYQTKW-VIFPVBQESA-N -1 3 391.237 3.204 20 0 GGADHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000462685318 566339998 /nfs/dbraw/zinc/33/99/98/566339998.db2.gz VGEJAIAWPMDRTA-JTQLQIEISA-N -1 3 394.198 3.074 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446285496 566340349 /nfs/dbraw/zinc/34/03/49/566340349.db2.gz WDBNNNJZDHWVDI-LLVKDONJSA-N -1 3 379.185 3.358 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000462676799 566340509 /nfs/dbraw/zinc/34/05/09/566340509.db2.gz HTPSHEOMKLHFEP-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM Cc1nc(C)c(CC(=O)NCc2cc(Cl)ccc2Br)c(=O)[n-]1 ZINC000576400763 566341368 /nfs/dbraw/zinc/34/13/68/566341368.db2.gz AFKGXTNEZSUOON-UHFFFAOYSA-N -1 3 384.661 3.074 20 0 GGADHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000462692013 566341554 /nfs/dbraw/zinc/34/15/54/566341554.db2.gz UXNAQBPDDPGTTN-GFCCVEGCSA-N -1 3 395.786 3.266 20 0 GGADHM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N=c1[nH][n-]cc1Br ZINC000556893983 566341893 /nfs/dbraw/zinc/34/18/93/566341893.db2.gz FXIRYKWDXJVTRU-UHFFFAOYSA-N -1 3 389.257 3.049 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CN1C1CC1 ZINC000509861917 566342655 /nfs/dbraw/zinc/34/26/55/566342655.db2.gz DIJNOMQGVQKRAW-ONGXEEELSA-N -1 3 382.835 3.262 20 0 GGADHM COc1cnc([N-]S(=O)(=O)c2ccc(F)cc2C)c(Br)c1 ZINC000576408201 566342829 /nfs/dbraw/zinc/34/28/29/566342829.db2.gz OQAGMKXCXQHBNL-UHFFFAOYSA-N -1 3 375.219 3.101 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccccc1F ZINC000462697705 566342937 /nfs/dbraw/zinc/34/29/37/566342937.db2.gz IWYFWZSXUFYWQP-SECBINFHSA-N -1 3 394.287 3.396 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(C)(C)CC(C)C)c1OC ZINC000509869103 566344065 /nfs/dbraw/zinc/34/40/65/566344065.db2.gz WHSPSPIKDBXIRT-UHFFFAOYSA-N -1 3 390.933 3.059 20 0 GGADHM O=c1[nH]cccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000625615376 566344149 /nfs/dbraw/zinc/34/41/49/566344149.db2.gz NNXKAWHRJSSSFX-UHFFFAOYSA-N -1 3 382.869 3.098 20 0 GGADHM O=S(=O)([N-]CCc1ccn(-c2ccc(F)cc2)n1)c1ccc(Cl)s1 ZINC000462705124 566344638 /nfs/dbraw/zinc/34/46/38/566344638.db2.gz OQLXARPFGZHRHX-UHFFFAOYSA-N -1 3 385.873 3.247 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c2nccn21 ZINC000576435669 566345009 /nfs/dbraw/zinc/34/50/09/566345009.db2.gz ZSOCYAINMWEKMF-KCJUWKMLSA-N -1 3 390.690 3.283 20 0 GGADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CC(OC(C)(C)C)C1 ZINC000421111973 566345312 /nfs/dbraw/zinc/34/53/12/566345312.db2.gz SOASJWYJNAFMDK-UHFFFAOYSA-N -1 3 395.301 3.329 20 0 GGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000509901383 566345449 /nfs/dbraw/zinc/34/54/49/566345449.db2.gz QIWWGMPMMLZLHZ-UHFFFAOYSA-N -1 3 393.818 3.453 20 0 GGADHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509893683 566345691 /nfs/dbraw/zinc/34/56/91/566345691.db2.gz MBRQGZZXULGKFN-NOZJJQNGSA-N -1 3 382.835 3.120 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(OC)n1 ZINC000576434952 566345644 /nfs/dbraw/zinc/34/56/44/566345644.db2.gz GMFNBZFKWWHFQF-UHFFFAOYSA-N -1 3 395.239 3.023 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 ZINC000462710178 566345817 /nfs/dbraw/zinc/34/58/17/566345817.db2.gz XSTKOHPOTKYCGE-BXUZGUMPSA-N -1 3 399.299 3.466 20 0 GGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000462714032 566346031 /nfs/dbraw/zinc/34/60/31/566346031.db2.gz CMFNXCKUOGWAKJ-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](CCO)c2cc(Cl)cc(Cl)c2)s1 ZINC000625629651 566346224 /nfs/dbraw/zinc/34/62/24/566346224.db2.gz UKGVMTAHEBHZOX-LBPRGKRZSA-N -1 3 381.306 3.160 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000625629692 566346287 /nfs/dbraw/zinc/34/62/87/566346287.db2.gz WTRKVJQRESAHIN-ZDUSSCGKSA-N -1 3 379.265 3.000 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)cc1 ZINC000536045463 566346848 /nfs/dbraw/zinc/34/68/48/566346848.db2.gz KFWWINWRQUPJCT-UHFFFAOYSA-N -1 3 396.881 3.415 20 0 GGADHM CCOC(=O)[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000600582867 566347296 /nfs/dbraw/zinc/34/72/96/566347296.db2.gz BNHYGNCUAUTRMP-LBPRGKRZSA-N -1 3 378.841 3.119 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1cccc(F)c1 ZINC000462723834 566347408 /nfs/dbraw/zinc/34/74/08/566347408.db2.gz BTEPCLXIRHRWFG-SECBINFHSA-N -1 3 394.287 3.396 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1c[nH]nc1-c1nccs1 ZINC000446390131 566347745 /nfs/dbraw/zinc/34/77/45/566347745.db2.gz FTDHWYIZZLUATR-UHFFFAOYSA-N -1 3 394.254 3.323 20 0 GGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462722189 566348100 /nfs/dbraw/zinc/34/81/00/566348100.db2.gz OYBUZFNOZLENFO-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000421137973 566348377 /nfs/dbraw/zinc/34/83/77/566348377.db2.gz AAEKZVODHFBYKU-LBPRGKRZSA-N -1 3 377.890 3.304 20 0 GGADHM Cc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2ccccc2Br)c1 ZINC000536063300 566348506 /nfs/dbraw/zinc/34/85/06/566348506.db2.gz MAAFEAFHVVEHKP-UHFFFAOYSA-N -1 3 377.238 3.174 20 0 GGADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000509925949 566348714 /nfs/dbraw/zinc/34/87/14/566348714.db2.gz GNZUJJWSLFXRPW-CYBMUJFWSA-N -1 3 390.933 3.345 20 0 GGADHM CCCc1nc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)co1 ZINC000509924997 566348837 /nfs/dbraw/zinc/34/88/37/566348837.db2.gz JFFRAKSQQRCNQX-UHFFFAOYSA-N -1 3 390.241 3.282 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3nc(C(C)C)c[nH]3)nc(=O)c2c1C ZINC000600588333 566348950 /nfs/dbraw/zinc/34/89/50/566348950.db2.gz YKVHEKXAHOXQGD-UHFFFAOYSA-N -1 3 378.479 3.218 20 0 GGADHM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1=O ZINC000509934020 566349073 /nfs/dbraw/zinc/34/90/73/566349073.db2.gz ZRVOBIUOBKHRTK-JTQLQIEISA-N -1 3 398.834 3.037 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000446418366 566349108 /nfs/dbraw/zinc/34/91/08/566349108.db2.gz HFGNGYKMUAHBKD-UHFFFAOYSA-N -1 3 382.825 3.164 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(Cl)cc3c2OCC3)ccc1F ZINC000462754157 566349286 /nfs/dbraw/zinc/34/92/86/566349286.db2.gz HETKWDXSAQKRLD-UHFFFAOYSA-N -1 3 384.816 3.038 20 0 GGADHM O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000556957993 566349414 /nfs/dbraw/zinc/34/94/14/566349414.db2.gz BBRFOFSNSNLGQI-SNVBAGLBSA-N -1 3 378.778 3.109 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(Cl)c1)OC ZINC000421146314 566349373 /nfs/dbraw/zinc/34/93/73/566349373.db2.gz BXYOOXQOEGELOH-JTQLQIEISA-N -1 3 375.796 3.448 20 0 GGADHM CS(=O)(=O)c1ccc([C@@H]2CN(Cc3cc([O-])ccc3Cl)CCO2)cc1 ZINC000625663019 566349463 /nfs/dbraw/zinc/34/94/63/566349463.db2.gz WYIALIVYUXDUSM-SFHVURJKSA-N -1 3 381.881 3.023 20 0 GGADHM CS(=O)(=O)c1ccc([C@H]2CN(Cc3cc([O-])ccc3Cl)CCO2)cc1 ZINC000625663018 566349549 /nfs/dbraw/zinc/34/95/49/566349549.db2.gz WYIALIVYUXDUSM-GOSISDBHSA-N -1 3 381.881 3.023 20 0 GGADHM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000536086960 566350015 /nfs/dbraw/zinc/35/00/15/566350015.db2.gz PLYZFGHVBBJKSM-UHFFFAOYSA-N -1 3 375.899 3.330 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421157285 566351542 /nfs/dbraw/zinc/35/15/42/566351542.db2.gz RIPQRIXZLIAKNF-LBPRGKRZSA-N -1 3 380.304 3.261 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000421157310 566351891 /nfs/dbraw/zinc/35/18/91/566351891.db2.gz RLPSKTNCNHJTHV-CYBMUJFWSA-N -1 3 387.552 3.492 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1)OC ZINC000421153102 566352177 /nfs/dbraw/zinc/35/21/77/566352177.db2.gz LBEPNECXNLTJRL-ZDUSSCGKSA-N -1 3 387.395 3.270 20 0 GGADHM COc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c(Br)c1[O-] ZINC000462790920 566352970 /nfs/dbraw/zinc/35/29/70/566352970.db2.gz WHRWARWSWXIWPN-LFVRLGFBSA-N -1 3 398.322 3.373 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)CCS2)OC ZINC000421165837 566353365 /nfs/dbraw/zinc/35/33/65/566353365.db2.gz NWMQIJPELJLKHT-LBPRGKRZSA-N -1 3 380.482 3.031 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(F)c(C)c2)C2CC2)c1 ZINC000536137827 566353814 /nfs/dbraw/zinc/35/38/14/566353814.db2.gz XNXPCDPIBRNXKY-INIZCTEOSA-N -1 3 383.466 3.412 20 0 GGADHM Cc1cc(Br)cc2c1N(Cc1nc3c(cnn3C)c(=O)[n-]1)CCC2 ZINC000600641106 566353836 /nfs/dbraw/zinc/35/38/36/566353836.db2.gz LMLZIBUFVGYCPW-UHFFFAOYSA-N -1 3 388.269 3.093 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccc(Cl)cc2)N(C)C)c(F)c1 ZINC000576523505 566354343 /nfs/dbraw/zinc/35/43/43/566354343.db2.gz PGOVTWVVQZCAPN-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000536154907 566355167 /nfs/dbraw/zinc/35/51/67/566355167.db2.gz JTHRZGAMMJDRKW-LBPRGKRZSA-N -1 3 399.310 3.010 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](c2ccc(SC)cc2)N(C)C)s1 ZINC000557027543 566356210 /nfs/dbraw/zinc/35/62/10/566356210.db2.gz DGFUMBXVNZIYSD-AWEZNQCLSA-N -1 3 385.580 3.009 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000510027713 566356677 /nfs/dbraw/zinc/35/66/77/566356677.db2.gz FLJDVBVUXHNTNN-CYBMUJFWSA-N -1 3 377.846 3.123 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483070961 566356785 /nfs/dbraw/zinc/35/67/85/566356785.db2.gz CZJBTVLJWBTTTL-LLVKDONJSA-N -1 3 375.782 3.297 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483070961 566356791 /nfs/dbraw/zinc/35/67/91/566356791.db2.gz CZJBTVLJWBTTTL-LLVKDONJSA-N -1 3 375.782 3.297 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483070961 566356797 /nfs/dbraw/zinc/35/67/97/566356797.db2.gz CZJBTVLJWBTTTL-LLVKDONJSA-N -1 3 375.782 3.297 20 0 GGADHM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000576552908 566357042 /nfs/dbraw/zinc/35/70/42/566357042.db2.gz KEITWUTVIRIQMR-CYBMUJFWSA-N -1 3 394.534 3.175 20 0 GGADHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510021488 566357079 /nfs/dbraw/zinc/35/70/79/566357079.db2.gz SWOFYKZNXQSNMQ-IUCAKERBSA-N -1 3 387.807 3.225 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483070964 566357590 /nfs/dbraw/zinc/35/75/90/566357590.db2.gz CZJBTVLJWBTTTL-NSHDSACASA-N -1 3 375.782 3.297 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483070964 566357598 /nfs/dbraw/zinc/35/75/98/566357598.db2.gz CZJBTVLJWBTTTL-NSHDSACASA-N -1 3 375.782 3.297 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483070964 566357604 /nfs/dbraw/zinc/35/76/04/566357604.db2.gz CZJBTVLJWBTTTL-NSHDSACASA-N -1 3 375.782 3.297 20 0 GGADHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510021489 566357724 /nfs/dbraw/zinc/35/77/24/566357724.db2.gz SWOFYKZNXQSNMQ-RKDXNWHRSA-N -1 3 387.807 3.225 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H](C)Cc2ccccc2Cl)ccc1F ZINC000557066331 566358842 /nfs/dbraw/zinc/35/88/42/566358842.db2.gz CPHXTRURDNRPRQ-LLVKDONJSA-N -1 3 384.860 3.205 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)cs1 ZINC000576568430 566358936 /nfs/dbraw/zinc/35/89/36/566358936.db2.gz UKLCKKDQFAQMGV-VIFPVBQESA-N -1 3 378.479 3.159 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1F ZINC000446620992 566358897 /nfs/dbraw/zinc/35/88/97/566358897.db2.gz UIBTXQLGZXXJFM-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CCc2ccc(Cl)s2)ccc1F ZINC000557071288 566359757 /nfs/dbraw/zinc/35/97/57/566359757.db2.gz KYACYOXUOQAGBC-UHFFFAOYSA-N -1 3 376.862 3.020 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)ccc1F ZINC000557072423 566359775 /nfs/dbraw/zinc/35/97/75/566359775.db2.gz AJVHBWBAEHPOEZ-NXEZZACHSA-N -1 3 388.873 3.191 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000421248945 566360317 /nfs/dbraw/zinc/36/03/17/566360317.db2.gz LKAXKNUMVHPZEX-SECBINFHSA-N -1 3 385.711 3.300 20 0 GGADHM CC1(C)C[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000576597784 566360792 /nfs/dbraw/zinc/36/07/92/566360792.db2.gz NLOMUYAGUAPPMV-NSHDSACASA-N -1 3 393.281 3.226 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(C)o1 ZINC000536250940 566361742 /nfs/dbraw/zinc/36/17/42/566361742.db2.gz ZDPNSZXKUNIBBE-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM O=S(=O)([N-][C@H]1COCc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000557101852 566362534 /nfs/dbraw/zinc/36/25/34/566362534.db2.gz KOEKSFNRZOJGQA-AWEZNQCLSA-N -1 3 375.343 3.394 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000576602399 566363077 /nfs/dbraw/zinc/36/30/77/566363077.db2.gz MUJIDZFUHAOVSL-QWHCGFSZSA-N -1 3 392.253 3.400 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000576602399 566363082 /nfs/dbraw/zinc/36/30/82/566363082.db2.gz MUJIDZFUHAOVSL-QWHCGFSZSA-N -1 3 392.253 3.400 20 0 GGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000536316107 566364785 /nfs/dbraw/zinc/36/47/85/566364785.db2.gz HZLSQLURYQCKKY-GFCCVEGCSA-N -1 3 377.491 3.214 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c(Cl)c1 ZINC000446758866 566365451 /nfs/dbraw/zinc/36/54/51/566365451.db2.gz MLINJKYUHWASRQ-UHFFFAOYSA-N -1 3 382.869 3.126 20 0 GGADHM COCCC[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000483223476 566365852 /nfs/dbraw/zinc/36/58/52/566365852.db2.gz LIQHKMCKVDQXIO-JTQLQIEISA-N -1 3 384.249 3.401 20 0 GGADHM COCCC[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000483221940 566365875 /nfs/dbraw/zinc/36/58/75/566365875.db2.gz HQOANADVMNCMHG-VIFPVBQESA-N -1 3 385.237 3.375 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000576664122 566367564 /nfs/dbraw/zinc/36/75/64/566367564.db2.gz AHPTVXFFRKBPEE-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1c1ccccc1)c1cncc(Br)c1 ZINC000600791497 566368057 /nfs/dbraw/zinc/36/80/57/566368057.db2.gz KGEKVVVRHQUOFD-JKSUJKDBSA-N -1 3 381.295 3.459 20 0 GGADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000536353721 566368331 /nfs/dbraw/zinc/36/83/31/566368331.db2.gz GRZYBHPRAHSHJT-SECBINFHSA-N -1 3 377.227 3.238 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000557182617 566370767 /nfs/dbraw/zinc/37/07/67/566370767.db2.gz XVAYUAZDJNLOJE-UHFFFAOYSA-N -1 3 382.869 3.327 20 0 GGADHM O=C1C[C@H](NCc2cc([O-])ccc2Br)CN1c1c(F)cccc1F ZINC000536420963 566371175 /nfs/dbraw/zinc/37/11/75/566371175.db2.gz IRWCANGZRHIQHJ-NSHDSACASA-N -1 3 397.219 3.328 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]CCOc1ncccc1F ZINC000446928375 566371537 /nfs/dbraw/zinc/37/15/37/566371537.db2.gz KWWSWVIPZFQMAW-UHFFFAOYSA-N -1 3 379.240 3.026 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000446930427 566371600 /nfs/dbraw/zinc/37/16/00/566371600.db2.gz WAAJDCFRBOPZLI-UHFFFAOYSA-N -1 3 386.804 3.173 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1C(F)(F)F)c1cc(F)ccc1Cl ZINC000446926618 566371639 /nfs/dbraw/zinc/37/16/39/566371639.db2.gz 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CC(C)NC(=O)CCCC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463158610 566387627 /nfs/dbraw/zinc/38/76/27/566387627.db2.gz DPAJFWOYJIGPSV-UHFFFAOYSA-N -1 3 384.267 3.412 20 0 GGADHM CC[C@H]1C[C@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CC(=O)N1 ZINC000463164345 566387961 /nfs/dbraw/zinc/38/79/61/566387961.db2.gz FMJAQKTTXRYGTR-WPRPVWTQSA-N -1 3 382.251 3.022 20 0 GGADHM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463163603 566388157 /nfs/dbraw/zinc/38/81/57/566388157.db2.gz SDOFIUCIPGAMJL-QMMMGPOBSA-N -1 3 384.267 3.268 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000510486408 566388292 /nfs/dbraw/zinc/38/82/92/566388292.db2.gz ZFOWFDQPPUSXKT-VHSXEESVSA-N -1 3 382.707 3.053 20 0 GGADHM CC[C@@]([N-]S(=O)(=O)c1ccc(SC)cc1)(C(=O)OC)c1ccccc1 ZINC000510488242 566388446 /nfs/dbraw/zinc/38/84/46/566388446.db2.gz FDKOPTHKBMNADM-SFHVURJKSA-N -1 3 379.503 3.165 20 0 GGADHM CC(=O)Nc1nc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)cs1 ZINC000463173249 566389378 /nfs/dbraw/zinc/38/93/78/566389378.db2.gz SHSIGGVAOBCLSM-UHFFFAOYSA-N -1 3 397.247 3.446 20 0 GGADHM Cc1csc(=O)n1CCC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463170774 566389437 /nfs/dbraw/zinc/38/94/37/566389437.db2.gz LSNDTIOAOQSISP-UHFFFAOYSA-N -1 3 398.275 3.339 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cccc(F)c2Cl)s1 ZINC000463176382 566389540 /nfs/dbraw/zinc/38/95/40/566389540.db2.gz FKOIOYHQZXKCNP-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM CCOC(=O)C(=C([O-])CSc1nc(C(C)(C)C)c[nH]1)c1nc(C)cs1 ZINC000601097576 566390029 /nfs/dbraw/zinc/39/00/29/566390029.db2.gz UTSDVWDMJUAQSG-ZDUSSCGKSA-N -1 3 381.523 3.480 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483566911 566390449 /nfs/dbraw/zinc/39/04/49/566390449.db2.gz IPXCCROFYNAQML-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483566911 566390453 /nfs/dbraw/zinc/39/04/53/566390453.db2.gz IPXCCROFYNAQML-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483566911 566390457 /nfs/dbraw/zinc/39/04/57/566390457.db2.gz IPXCCROFYNAQML-UHFFFAOYSA-N -1 3 382.173 3.472 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000483570899 566390608 /nfs/dbraw/zinc/39/06/08/566390608.db2.gz YOCWYWIFZHXPER-MRVPVSSYSA-N -1 3 376.408 3.053 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000483570899 566390613 /nfs/dbraw/zinc/39/06/13/566390613.db2.gz YOCWYWIFZHXPER-MRVPVSSYSA-N -1 3 376.408 3.053 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000483570899 566390617 /nfs/dbraw/zinc/39/06/17/566390617.db2.gz YOCWYWIFZHXPER-MRVPVSSYSA-N -1 3 376.408 3.053 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000447149775 566390824 /nfs/dbraw/zinc/39/08/24/566390824.db2.gz YXXKTQFREMBJJH-SNVBAGLBSA-N -1 3 384.885 3.255 20 0 GGADHM COC(=O)[C@@H]1CCc2sc([N-]C(=O)c3occc3Br)nc2C1 ZINC000421626154 566391129 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O=S(=O)([N-]CCCOC(F)F)c1cccc(Cl)c1Br ZINC000510564918 566394258 /nfs/dbraw/zinc/39/42/58/566394258.db2.gz JSOMXNCDMMKLPF-UHFFFAOYSA-N -1 3 378.622 3.010 20 0 GGADHM COc1ccc(CNC[C@](C)(CO)Cc2ccccc2)c(Br)c1[O-] ZINC000483631309 566394790 /nfs/dbraw/zinc/39/47/90/566394790.db2.gz BDHSRXWPXVWGTE-LJQANCHMSA-N -1 3 394.309 3.494 20 0 GGADHM CCCC[C@H](CCC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000536703382 566395051 /nfs/dbraw/zinc/39/50/51/566395051.db2.gz VGEYBEGIPVOAAR-ZDUSSCGKSA-N -1 3 394.534 3.225 20 0 GGADHM O=C(NCc1cc(Br)cc2c1OCC2)c1c[n-]nc1-c1ccccn1 ZINC000557540852 566395073 /nfs/dbraw/zinc/39/50/73/566395073.db2.gz JJDMZWVDJBIRNV-UHFFFAOYSA-N -1 3 399.248 3.099 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000510567638 566396594 /nfs/dbraw/zinc/39/65/94/566396594.db2.gz CMFBKPMGQPXJFX-OAHLLOKOSA-N -1 3 394.896 3.167 20 0 GGADHM CCC(CC)([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)OC ZINC000510584599 566396806 /nfs/dbraw/zinc/39/68/06/566396806.db2.gz OAOCEWBOVNCZLF-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM CCCc1nc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)o1 ZINC000421678481 566397379 /nfs/dbraw/zinc/39/73/79/566397379.db2.gz AQDVMWLSMWNLKH-UHFFFAOYSA-N -1 3 395.179 3.131 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCC(F)(F)C1 ZINC000421678774 566397469 /nfs/dbraw/zinc/39/74/69/566397469.db2.gz DEOZLPFXTMZGOY-ZCFIWIBFSA-N -1 3 376.123 3.004 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(C)(C)C ZINC000510603273 566397693 /nfs/dbraw/zinc/39/76/93/566397693.db2.gz XQXVVSIYPUSCJN-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccccc1 ZINC000421678689 566397681 /nfs/dbraw/zinc/39/76/81/566397681.db2.gz CLONSTYVGPJKFH-SECBINFHSA-N -1 3 376.176 3.372 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000577018878 566398083 /nfs/dbraw/zinc/39/80/83/566398083.db2.gz SFFHOFKOUFGIAZ-MISXGVKJSA-N -1 3 388.917 3.410 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000483702917 566398160 /nfs/dbraw/zinc/39/81/60/566398160.db2.gz VQDGKIKVQCKLMT-INIZCTEOSA-N -1 3 384.498 3.069 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000649831475 566398517 /nfs/dbraw/zinc/39/85/17/566398517.db2.gz IFIYJHIQOHBHHH-MRVPVSSYSA-N -1 3 375.334 3.488 20 0 GGADHM CCCc1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)s1 ZINC000421682504 566398808 /nfs/dbraw/zinc/39/88/08/566398808.db2.gz OKCCEGWNNWOIRN-UHFFFAOYSA-N -1 3 397.220 3.291 20 0 GGADHM CC(C)c1cccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)n1 ZINC000421680463 566399085 /nfs/dbraw/zinc/39/90/85/566399085.db2.gz CJJGWBYKMWVUSR-UHFFFAOYSA-N -1 3 391.191 3.401 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cn1 ZINC000447275801 566399010 /nfs/dbraw/zinc/39/90/10/566399010.db2.gz XVSFJCFSNASBBI-UHFFFAOYSA-N -1 3 380.319 3.161 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447272469 566399128 /nfs/dbraw/zinc/39/91/28/566399128.db2.gz WRRNYJXLGADJLZ-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000536754976 566399194 /nfs/dbraw/zinc/39/91/94/566399194.db2.gz BVUXKMPYIHRYPD-MFKMUULPSA-N -1 3 382.309 3.484 20 0 GGADHM C[C@@H](Oc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681352 566399577 /nfs/dbraw/zinc/39/95/77/566399577.db2.gz HDHDQDUTMBJOHU-SECBINFHSA-N -1 3 392.175 3.036 20 0 GGADHM CCC[C@@H]1C[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCO1 ZINC000421681718 566400078 /nfs/dbraw/zinc/40/00/78/566400078.db2.gz IMCITKGHNSGCKX-VHSXEESVSA-N -1 3 398.223 3.164 20 0 GGADHM O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000671065859 566400048 /nfs/dbraw/zinc/40/00/48/566400048.db2.gz UZJAVMFOAXHYLB-UHFFFAOYSA-N -1 3 389.277 3.269 20 0 GGADHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000510635670 566400541 /nfs/dbraw/zinc/40/05/41/566400541.db2.gz UVSQSLFOXRUOBW-NSHDSACASA-N -1 3 390.230 3.156 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)cc1Cl ZINC000510635786 566400569 /nfs/dbraw/zinc/40/05/69/566400569.db2.gz WMSKBEAODWGKJM-QMMMGPOBSA-N -1 3 389.811 3.011 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C ZINC000510627191 566400630 /nfs/dbraw/zinc/40/06/30/566400630.db2.gz JQIPZOWAFBONLI-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C ZINC000510627190 566401076 /nfs/dbraw/zinc/40/10/76/566401076.db2.gz JQIPZOWAFBONLI-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM CSc1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000536786969 566401101 /nfs/dbraw/zinc/40/11/01/566401101.db2.gz UUOOWDJGLZGVJV-UHFFFAOYSA-N -1 3 382.283 3.271 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(C)(C)C ZINC000510632499 566401311 /nfs/dbraw/zinc/40/13/11/566401311.db2.gz BEGASVQKUACEDN-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM CC(C)(C)CCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536793903 566401985 /nfs/dbraw/zinc/40/19/85/566401985.db2.gz ZSPZUNUCWOUACB-UHFFFAOYSA-N -1 3 398.244 3.299 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2F)s1 ZINC000510655330 566402326 /nfs/dbraw/zinc/40/23/26/566402326.db2.gz ACTLKBWGIVDZOC-SSDOTTSWSA-N -1 3 379.276 3.393 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2F)on1 ZINC000510657883 566402493 /nfs/dbraw/zinc/40/24/93/566402493.db2.gz MKOIGNRLVBBQFN-SECBINFHSA-N -1 3 377.235 3.065 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccncc1F ZINC000510644540 566402634 /nfs/dbraw/zinc/40/26/34/566402634.db2.gz IZQHMNQKIKDHDJ-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(C)(C)C ZINC000510648575 566402659 /nfs/dbraw/zinc/40/26/59/566402659.db2.gz RVMVHHALBJBNPI-CQSZACIVSA-N -1 3 394.331 3.187 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000671173615 566403837 /nfs/dbraw/zinc/40/38/37/566403837.db2.gz VXYFPAYKCAIMPQ-LLVKDONJSA-N -1 3 379.322 3.265 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C[S@@](C)=O)cc2)sc1Cl ZINC000510679586 566403815 /nfs/dbraw/zinc/40/38/15/566403815.db2.gz HINVTLZNEBSSJP-OAQYLSRUSA-N -1 3 377.940 3.067 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000510686352 566404646 /nfs/dbraw/zinc/40/46/46/566404646.db2.gz WCNBCHDDRINGJB-ZMSDIMECSA-N -1 3 381.519 3.386 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@@H]1CCCCO1 ZINC000671180962 566405576 /nfs/dbraw/zinc/40/55/76/566405576.db2.gz CAFDTDLNXXBGCN-ONGXEEELSA-N -1 3 382.707 3.338 20 0 GGADHM C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000510704543 566406206 /nfs/dbraw/zinc/40/62/06/566406206.db2.gz SKIWEMDRQYEZRI-NRFANRHFSA-N -1 3 398.358 3.412 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000671186674 566406970 /nfs/dbraw/zinc/40/69/70/566406970.db2.gz NEQJQDIXRWDPDT-OAHLLOKOSA-N -1 3 399.314 3.051 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)s1 ZINC000510723378 566407183 /nfs/dbraw/zinc/40/71/83/566407183.db2.gz ZZLHAMGJMHUEHV-BZUAXINKSA-N -1 3 380.535 3.335 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000557676148 566407872 /nfs/dbraw/zinc/40/78/72/566407872.db2.gz DCGQCJHDJZINAA-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000557676148 566407877 /nfs/dbraw/zinc/40/78/77/566407877.db2.gz DCGQCJHDJZINAA-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000557676148 566407883 /nfs/dbraw/zinc/40/78/83/566407883.db2.gz DCGQCJHDJZINAA-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000510730281 566408953 /nfs/dbraw/zinc/40/89/53/566408953.db2.gz DCUAOTRJCUCBOE-IXDOHACOSA-N -1 3 380.535 3.390 20 0 GGADHM O=C(NCc1cc(F)c(F)cc1Br)c1c[n-]c2ccccc2c1=O ZINC000557687877 566409523 /nfs/dbraw/zinc/40/95/23/566409523.db2.gz YVYBNXMMHCDWLJ-UHFFFAOYSA-N -1 3 393.187 3.499 20 0 GGADHM CCc1[nH]nc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)c1Br ZINC000447439182 566410718 /nfs/dbraw/zinc/41/07/18/566410718.db2.gz JHMUYDIIGWGNDE-UHFFFAOYSA-N -1 3 398.282 3.480 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2sccc2C)cc1Cl ZINC000536901419 566410628 /nfs/dbraw/zinc/41/06/28/566410628.db2.gz OERTUIVRZLQXJH-UHFFFAOYSA-N -1 3 390.889 3.328 20 0 GGADHM CN(C)c1nc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc(=O)[n-]1 ZINC000463453180 566410692 /nfs/dbraw/zinc/41/06/92/566410692.db2.gz FAHBFRPHYXYZIM-UHFFFAOYSA-N -1 3 375.841 3.277 20 0 GGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000577169209 566411064 /nfs/dbraw/zinc/41/10/64/566411064.db2.gz DHSORPWTLNJGRM-ZDUSSCGKSA-N -1 3 391.823 3.262 20 0 GGADHM Cc1ccccc1CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000510763972 566411748 /nfs/dbraw/zinc/41/17/48/566411748.db2.gz NQWFCQMRMQMWBW-UHFFFAOYSA-N -1 3 398.937 3.179 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000510775239 566412436 /nfs/dbraw/zinc/41/24/36/566412436.db2.gz AWKMKEQMTSNOMA-MEBBXXQBSA-N -1 3 381.523 3.076 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2cc(Br)ccc2Cl)[n-]1 ZINC000447503238 566412616 /nfs/dbraw/zinc/41/26/16/566412616.db2.gz ABMPGTNCDUHOJG-UHFFFAOYSA-N -1 3 392.706 3.492 20 0 GGADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1 ZINC000536988935 566416174 /nfs/dbraw/zinc/41/61/74/566416174.db2.gz UDHCETXDDJNJIX-UHFFFAOYSA-N -1 3 381.475 3.070 20 0 GGADHM O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc([O-])ccc1Cl ZINC000510857123 566416884 /nfs/dbraw/zinc/41/68/84/566416884.db2.gz OGIJFEJHXRVNKS-CYBMUJFWSA-N -1 3 375.730 3.408 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3c(F)cc(Cl)cc3F)c(F)cc2N1 ZINC000536992364 566416914 /nfs/dbraw/zinc/41/69/14/566416914.db2.gz BZROPYOKEIIODK-UHFFFAOYSA-N -1 3 390.770 3.443 20 0 GGADHM CSC1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000601692477 566417637 /nfs/dbraw/zinc/41/76/37/566417637.db2.gz XRWGBACFBQQPMI-UHFFFAOYSA-N -1 3 396.456 3.045 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)s1 ZINC000650053011 566418210 /nfs/dbraw/zinc/41/82/10/566418210.db2.gz QKSASTJHLOZUAA-ZYHUDNBSSA-N -1 3 380.482 3.049 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@]1(C)CCCc2ccccc21 ZINC000537021001 566418251 /nfs/dbraw/zinc/41/82/51/566418251.db2.gz YEUPTBINVNXMNK-SFHVURJKSA-N -1 3 379.503 3.107 20 0 GGADHM Cc1ccc([O-])c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)n1 ZINC000447633454 566418727 /nfs/dbraw/zinc/41/87/27/566418727.db2.gz ZNJQUEFEMRQEOZ-UHFFFAOYSA-N -1 3 375.841 3.061 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)[n-]c(=O)n1 ZINC000421929023 566418840 /nfs/dbraw/zinc/41/88/40/566418840.db2.gz YNHQSUOEHPDGQT-CYBMUJFWSA-N -1 3 376.254 3.100 20 0 GGADHM CCCn1cc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)OC)nn1 ZINC000601707105 566420051 /nfs/dbraw/zinc/42/00/51/566420051.db2.gz VNMPJRIKMZNTCQ-UHFFFAOYSA-N -1 3 382.873 3.249 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1c(F)cccc1OC(F)(F)F ZINC000557808124 566420726 /nfs/dbraw/zinc/42/07/26/566420726.db2.gz KGRAWLQQJMZFHN-UHFFFAOYSA-N -1 3 385.285 3.481 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557811452 566422206 /nfs/dbraw/zinc/42/22/06/566422206.db2.gz CMQMEGWZPAPJFB-BXUZGUMPSA-N -1 3 399.310 3.233 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)CCC2Cc3ccccc3C2)s1 ZINC000577305121 566422552 /nfs/dbraw/zinc/42/25/52/566422552.db2.gz SFAJEMHYVPQKFI-UHFFFAOYSA-N -1 3 379.551 3.060 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccc(F)c1F ZINC000510957649 566422662 /nfs/dbraw/zinc/42/26/62/566422662.db2.gz IITYXHUIWVJXDP-SNVBAGLBSA-N -1 3 392.830 3.386 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)s1 ZINC000557824508 566423262 /nfs/dbraw/zinc/42/32/62/566423262.db2.gz CWXGTMYKSTZVAR-UHFFFAOYSA-N -1 3 399.563 3.343 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557823919 566423463 /nfs/dbraw/zinc/42/34/63/566423463.db2.gz OQVBJSLPIQDAFY-UHFFFAOYSA-N -1 3 387.395 3.191 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCc2ccc(C(C)C)cc2)s1 ZINC000557820421 566423795 /nfs/dbraw/zinc/42/37/95/566423795.db2.gz MAIRDEGEEUTNHV-UHFFFAOYSA-N -1 3 381.523 3.136 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(C)(C)c1ccccc1 ZINC000557823664 566423916 /nfs/dbraw/zinc/42/39/16/566423916.db2.gz JXXDCMJSIXIFKM-AWEZNQCLSA-N -1 3 381.523 3.136 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1cnccn1 ZINC000650125472 566424488 /nfs/dbraw/zinc/42/44/88/566424488.db2.gz XCOMORJJWXVKOE-GFCCVEGCSA-N -1 3 381.885 3.348 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C(C)C)cc32)s1 ZINC000557831710 566424539 /nfs/dbraw/zinc/42/45/39/566424539.db2.gz FQVTTXOCKNLUBE-OAHLLOKOSA-N -1 3 379.507 3.191 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)Cc1ccccc1Br)CO2 ZINC000557838738 566426199 /nfs/dbraw/zinc/42/61/99/566426199.db2.gz JTMJLOCCEXGEHH-OAHLLOKOSA-N -1 3 382.279 3.311 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1cc(C(F)(F)F)ccc1F ZINC000537163143 566426960 /nfs/dbraw/zinc/42/69/60/566426960.db2.gz BSLZXNAJEFLAHE-UHFFFAOYSA-N -1 3 383.407 3.456 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000537184430 566429096 /nfs/dbraw/zinc/42/90/96/566429096.db2.gz PGTRLNBQQNPBJF-OAHLLOKOSA-N -1 3 383.901 3.385 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000537184429 566429139 /nfs/dbraw/zinc/42/91/39/566429139.db2.gz PGTRLNBQQNPBJF-HNNXBMFYSA-N -1 3 383.901 3.385 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1c(F)cncc1F ZINC000511037146 566429275 /nfs/dbraw/zinc/42/92/75/566429275.db2.gz XZGNQFOSDULXLW-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1c(F)cncc1F ZINC000511035308 566429381 /nfs/dbraw/zinc/42/93/81/566429381.db2.gz SSPRYUYMCOCZMW-ZCFIWIBFSA-N -1 3 383.239 3.223 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1c(F)cncc1F ZINC000511035306 566429936 /nfs/dbraw/zinc/42/99/36/566429936.db2.gz SSPRYUYMCOCZMW-LURJTMIESA-N -1 3 383.239 3.223 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(Br)c1 ZINC000557864429 566430245 /nfs/dbraw/zinc/43/02/45/566430245.db2.gz SXSDZXLKXRNIET-UHFFFAOYSA-N -1 3 388.205 3.077 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(Cl)cn1 ZINC000511038959 566430972 /nfs/dbraw/zinc/43/09/72/566430972.db2.gz XTTXDGAGWHUIBL-JTQLQIEISA-N -1 3 392.283 3.157 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1c(F)cncc1F ZINC000511046068 566431030 /nfs/dbraw/zinc/43/10/30/566431030.db2.gz UUESGXJZAOMWMK-BDAKNGLRSA-N -1 3 388.823 3.376 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000557864994 566431502 /nfs/dbraw/zinc/43/15/02/566431502.db2.gz YVIPFJBSJBIUEF-BJOHPYRUSA-N -1 3 386.242 3.389 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)C(C)C)s1 ZINC000511055676 566432267 /nfs/dbraw/zinc/43/22/67/566432267.db2.gz CDOVZRPGINUNMH-MRXNPFEDSA-N -1 3 383.491 3.219 20 0 GGADHM CCc1cccnc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511054251 566432512 /nfs/dbraw/zinc/43/25/12/566432512.db2.gz JYCUFYZBPSEOGV-GFCCVEGCSA-N -1 3 385.892 3.066 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000537244461 566433498 /nfs/dbraw/zinc/43/34/98/566433498.db2.gz PJCMZECULSJFGZ-CYBMUJFWSA-N -1 3 384.548 3.159 20 0 GGADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cscc3Cl)ccc2O1 ZINC000601969192 566434144 /nfs/dbraw/zinc/43/41/44/566434144.db2.gz RPKMYIPBYCXMRB-AWEZNQCLSA-N -1 3 387.866 3.069 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000537244475 566434161 /nfs/dbraw/zinc/43/41/61/566434161.db2.gz PJCMZECULSJFGZ-ZDUSSCGKSA-N -1 3 384.548 3.159 20 0 GGADHM COC1(CC(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCC1 ZINC000484531449 566434413 /nfs/dbraw/zinc/43/44/13/566434413.db2.gz GLFFMTYOZAFASJ-UHFFFAOYSA-N -1 3 383.221 3.271 20 0 GGADHM COC(=O)c1cnc(SCc2cc3c(cc2Br)OCCO3)[n-]1 ZINC000484562412 566435500 /nfs/dbraw/zinc/43/55/00/566435500.db2.gz KTEQOJFXJCEZIX-UHFFFAOYSA-N -1 3 385.239 3.022 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)c1 ZINC000671662855 566435776 /nfs/dbraw/zinc/43/57/76/566435776.db2.gz XZACZSRCXRZRKQ-UHFFFAOYSA-N -1 3 394.250 3.202 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1cc(Cl)ccc1Cl ZINC000447845978 566437038 /nfs/dbraw/zinc/43/70/38/566437038.db2.gz VCQPYUNVJHRABH-UHFFFAOYSA-N -1 3 383.203 3.468 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000671676899 566437458 /nfs/dbraw/zinc/43/74/58/566437458.db2.gz KILJPPNBMSVKAM-BIMULSAOSA-N -1 3 383.819 3.451 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1ccccc1C(F)(F)F ZINC000447849876 566437947 /nfs/dbraw/zinc/43/79/47/566437947.db2.gz JWIRGTYAFUCDAK-UHFFFAOYSA-N -1 3 382.310 3.180 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 ZINC000537325164 566438767 /nfs/dbraw/zinc/43/87/67/566438767.db2.gz IJJCBEFGMKJICG-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc(Cl)c1OC ZINC000650217204 566439673 /nfs/dbraw/zinc/43/96/73/566439673.db2.gz UPDPIHNOPXGJGJ-INIZCTEOSA-N -1 3 385.869 3.487 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc2)CC1 ZINC000537346476 566440024 /nfs/dbraw/zinc/44/00/24/566440024.db2.gz UFWFBAVAEQGBFT-UHFFFAOYSA-N -1 3 383.828 3.485 20 0 GGADHM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1C ZINC000577506935 566440508 /nfs/dbraw/zinc/44/05/08/566440508.db2.gz LJDIXXQGNIKPSY-UHFFFAOYSA-N -1 3 387.910 3.302 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000484630135 566442211 /nfs/dbraw/zinc/44/22/11/566442211.db2.gz NTKDPPSWHVKZNW-QHCPKHFHSA-N -1 3 387.910 3.166 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)Cc2cnn(C)c2)c1Cl ZINC000650245083 566442497 /nfs/dbraw/zinc/44/24/97/566442497.db2.gz SJMWMEJBIHSGAI-SNVBAGLBSA-N -1 3 376.309 3.253 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000650256623 566442642 /nfs/dbraw/zinc/44/26/42/566442642.db2.gz LGIDDTKNGIIBLY-NWDGAFQWSA-N -1 3 388.308 3.354 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2F)c[nH]1 ZINC000671705799 566443188 /nfs/dbraw/zinc/44/31/88/566443188.db2.gz DTGBEBZUWGQLMQ-SECBINFHSA-N -1 3 390.278 3.474 20 0 GGADHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000577545936 566443883 /nfs/dbraw/zinc/44/38/83/566443883.db2.gz MSHNJOWLKQLKRD-UHFFFAOYSA-N -1 3 382.869 3.376 20 0 GGADHM Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000577563774 566445394 /nfs/dbraw/zinc/44/53/94/566445394.db2.gz BRFOETDUCXUCBQ-UHFFFAOYSA-N -1 3 379.254 3.352 20 0 GGADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000537437329 566446323 /nfs/dbraw/zinc/44/63/23/566446323.db2.gz NBWYJCXSQRBYGS-CHWSQXEVSA-N -1 3 394.306 3.460 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1 ZINC000558066291 566447268 /nfs/dbraw/zinc/44/72/68/566447268.db2.gz USPZUGGKMVNNSL-MRXNPFEDSA-N -1 3 399.299 3.218 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1ccc(C)c(C)c1 ZINC000558082930 566447523 /nfs/dbraw/zinc/44/75/23/566447523.db2.gz IDNUIQGLBSENRU-QGZVFWFLSA-N -1 3 381.881 3.291 20 0 GGADHM O=S(=O)([N-]Cc1cnn2ccccc12)c1cc(Cl)ccc1C(F)(F)F ZINC000511241090 566448581 /nfs/dbraw/zinc/44/85/81/566448581.db2.gz OFXMGRTWQYNMPH-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM CCCCCS(=O)(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000447944025 566448673 /nfs/dbraw/zinc/44/86/73/566448673.db2.gz QOPRVKPKDODKKD-UHFFFAOYSA-N -1 3 388.287 3.109 20 0 GGADHM Cc1ncc([C@@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000671766651 566449662 /nfs/dbraw/zinc/44/96/62/566449662.db2.gz KKVOAKRVHRYUTF-SECBINFHSA-N -1 3 394.349 3.387 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)c(Cl)c1Cl ZINC000511255990 566449858 /nfs/dbraw/zinc/44/98/58/566449858.db2.gz CBSODEFJRFGHAR-NSHDSACASA-N -1 3 382.309 3.222 20 0 GGADHM C[C@H](c1ccc(Br)cc1)N1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000577614930 566449942 /nfs/dbraw/zinc/44/99/42/566449942.db2.gz ZBASRRKAOVAEPX-CYBMUJFWSA-N -1 3 390.281 3.426 20 0 GGADHM COc1ccc2[nH]cc(CC(=O)N=c3cc4ccc(Br)cn4[n-]3)c2c1 ZINC000511269826 566449889 /nfs/dbraw/zinc/44/98/89/566449889.db2.gz WRRWLGAYWKEFIF-UHFFFAOYSA-N -1 3 399.248 3.190 20 0 GGADHM C[C@@H](c1ccc(Br)cc1)N1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000577614931 566450637 /nfs/dbraw/zinc/45/06/37/566450637.db2.gz ZBASRRKAOVAEPX-ZDUSSCGKSA-N -1 3 390.281 3.426 20 0 GGADHM O=C(CCSCc1ccccn1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511279097 566451112 /nfs/dbraw/zinc/45/11/12/566451112.db2.gz BGDDHBFOCUULKW-UHFFFAOYSA-N -1 3 391.294 3.176 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)s1 ZINC000537566914 566451407 /nfs/dbraw/zinc/45/14/07/566451407.db2.gz NFKQUKMEZUKEGD-JTQLQIEISA-N -1 3 382.345 3.443 20 0 GGADHM COc1ccc(C(C)(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511279421 566451406 /nfs/dbraw/zinc/45/14/06/566451406.db2.gz CIOFNMMPLOWSOR-UHFFFAOYSA-N -1 3 388.265 3.444 20 0 GGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000537567482 566452563 /nfs/dbraw/zinc/45/25/63/566452563.db2.gz RCMOHKKISSKPNP-CQSZACIVSA-N -1 3 380.432 3.315 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2cc(C)cc(C)c2)s1 ZINC000484770927 566452847 /nfs/dbraw/zinc/45/28/47/566452847.db2.gz USNBUHCLFCULHG-GFCCVEGCSA-N -1 3 383.491 3.200 20 0 GGADHM COc1ccccc1C1(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000511307352 566452786 /nfs/dbraw/zinc/45/27/86/566452786.db2.gz QWUJHIMMVLTAGD-UHFFFAOYSA-N -1 3 386.249 3.198 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(SC)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000464188070 566453232 /nfs/dbraw/zinc/45/32/32/566453232.db2.gz DMPABSXWDFOBRZ-GXSJLCMTSA-N -1 3 377.837 3.042 20 0 GGADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000558147426 566453810 /nfs/dbraw/zinc/45/38/10/566453810.db2.gz OAABAQIHXMUQLM-UHFFFAOYSA-N -1 3 389.289 3.073 20 0 GGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000558140936 566453888 /nfs/dbraw/zinc/45/38/88/566453888.db2.gz PMCLMINLSRFDSR-AWEZNQCLSA-N -1 3 380.432 3.034 20 0 GGADHM O=C(COC/C=C\c1ccccc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511315528 566454078 /nfs/dbraw/zinc/45/40/78/566454078.db2.gz NWRSAYRRBSKVOI-DAXSKMNVSA-N -1 3 386.249 3.187 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)C2)s1 ZINC000484783686 566454774 /nfs/dbraw/zinc/45/47/74/566454774.db2.gz BXQZTHMSANURIF-NEPJUHHUSA-N -1 3 375.512 3.036 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCCC2CCCC2)s1 ZINC000484783451 566455099 /nfs/dbraw/zinc/45/50/99/566455099.db2.gz ORAXRKUHDHARAH-UHFFFAOYSA-N -1 3 375.512 3.182 20 0 GGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511331870 566455271 /nfs/dbraw/zinc/45/52/71/566455271.db2.gz GBERHYVHNVMWFE-VIFPVBQESA-N -1 3 396.191 3.203 20 0 GGADHM Cc1cccc2c(CC(=O)N=c3cc4ccc(Br)cn4[n-]3)c[nH]c21 ZINC000511340451 566455558 /nfs/dbraw/zinc/45/55/58/566455558.db2.gz YOHZORRLCNUDLI-UHFFFAOYSA-N -1 3 383.249 3.490 20 0 GGADHM CC1(c2ccc(Br)cc2)CCN(C(=O)c2cc(=O)[n-]cn2)CC1 ZINC000626892229 566455618 /nfs/dbraw/zinc/45/56/18/566455618.db2.gz PNZBAUKKRILSOG-UHFFFAOYSA-N -1 3 376.254 3.139 20 0 GGADHM O=C(NCCc1ccc(Br)cc1Cl)c1ccc2n[n-]nc2c1 ZINC000577674558 566455564 /nfs/dbraw/zinc/45/55/64/566455564.db2.gz MHTINSBYBIREJH-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM Cc1nc(CCCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cs1 ZINC000511337398 566455703 /nfs/dbraw/zinc/45/57/03/566455703.db2.gz JFJLNBRZCNUROW-UHFFFAOYSA-N -1 3 379.283 3.245 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cnn3ccccc23)c(Cl)c1Cl ZINC000511331157 566455729 /nfs/dbraw/zinc/45/57/29/566455729.db2.gz CHOVXKMLCBFQOO-UHFFFAOYSA-N -1 3 386.260 3.128 20 0 GGADHM CC(C)(C)OC1CC(CC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000511337291 566455785 /nfs/dbraw/zinc/45/57/85/566455785.db2.gz HNNWMQSYDYYVLY-UHFFFAOYSA-N -1 3 380.286 3.441 20 0 GGADHM O=C(COc1ccccc1Br)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000484806146 566455871 /nfs/dbraw/zinc/45/58/71/566455871.db2.gz MJHFQMTWIDOXSC-UHFFFAOYSA-N -1 3 391.200 3.391 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1C[C@]12CCc1ccccc12 ZINC000511357672 566457107 /nfs/dbraw/zinc/45/71/07/566457107.db2.gz ZZSQIYILIYUJOY-APWZRJJASA-N -1 3 382.261 3.361 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000511365235 566457573 /nfs/dbraw/zinc/45/75/73/566457573.db2.gz FLACRNCZRXOCBH-UWVGGRQHSA-N -1 3 382.707 3.053 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]c2c(F)cccc2Br)c1 ZINC000448125767 566457980 /nfs/dbraw/zinc/45/79/80/566457980.db2.gz OAQYFFGMTBOSCU-UHFFFAOYSA-N -1 3 394.243 3.237 20 0 GGADHM CC(=O)c1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(F)c1 ZINC000511363237 566458084 /nfs/dbraw/zinc/45/80/84/566458084.db2.gz MTKVHXGGOPXWAJ-UHFFFAOYSA-N -1 3 376.185 3.113 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(F)c(F)cc2Br)s1 ZINC000511366314 566458104 /nfs/dbraw/zinc/45/81/04/566458104.db2.gz IBATXVDHBMRTDZ-UHFFFAOYSA-N -1 3 397.266 3.225 20 0 GGADHM C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000422591722 566458102 /nfs/dbraw/zinc/45/81/02/566458102.db2.gz RKYQLKBJNRFVMV-AXAPSJFSSA-N -1 3 385.291 3.309 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C2(Cc3cccc(Cl)c3)CC2)s1 ZINC000577706982 566458278 /nfs/dbraw/zinc/45/82/78/566458278.db2.gz DOMQLSUWZFBTRX-UHFFFAOYSA-N -1 3 398.937 3.091 20 0 GGADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cnn(-c2ccccc2F)c1 ZINC000511365625 566458383 /nfs/dbraw/zinc/45/83/83/566458383.db2.gz WVZVYXFJLLFTGV-UHFFFAOYSA-N -1 3 377.363 3.022 20 0 GGADHM O=C(N[C@@H]1CCSC1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000464241228 566458911 /nfs/dbraw/zinc/45/89/11/566458911.db2.gz WDZQPILVMBPMFM-CYBMUJFWSA-N -1 3 396.921 3.376 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1COc2ccc(Cl)cc21 ZINC000511383174 566459218 /nfs/dbraw/zinc/45/92/18/566459218.db2.gz MWJNQTVGRYRIIC-ZDUSSCGKSA-N -1 3 392.640 3.287 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c(F)c(F)cc(F)c1F ZINC000511369441 566460189 /nfs/dbraw/zinc/46/01/89/566460189.db2.gz BKIIKBNDRUURLY-UHFFFAOYSA-N -1 3 388.118 3.327 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCc2cccs2)cc1Cl ZINC000537655641 566460799 /nfs/dbraw/zinc/46/07/99/566460799.db2.gz BKAOIDVDTHJQBP-UHFFFAOYSA-N -1 3 390.889 3.410 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCSCC(F)(F)F)s1 ZINC000537654537 566460821 /nfs/dbraw/zinc/46/08/21/566460821.db2.gz BIHKYROETWRZKD-UHFFFAOYSA-N -1 3 398.291 3.393 20 0 GGADHM CC1(C)C(=O)Nc2ccc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc21 ZINC000511389880 566460810 /nfs/dbraw/zinc/46/08/10/566460810.db2.gz FLWXPFNGUZGOHH-UHFFFAOYSA-N -1 3 399.248 3.001 20 0 GGADHM O=C(CCC(=O)c1cccs1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511392575 566461190 /nfs/dbraw/zinc/46/11/90/566461190.db2.gz WRQNSDQJYKRKFK-UHFFFAOYSA-N -1 3 378.251 3.182 20 0 GGADHM CCc1ccc([O-])c(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000537663910 566461594 /nfs/dbraw/zinc/46/15/94/566461594.db2.gz YHFLSTOAKPQSNY-UHFFFAOYSA-N -1 3 396.256 3.491 20 0 GGADHM CCSCc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)no1 ZINC000511391562 566461526 /nfs/dbraw/zinc/46/15/26/566461526.db2.gz QCFRMVSYXVSBKO-UHFFFAOYSA-N -1 3 381.255 3.012 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511390808 566461636 /nfs/dbraw/zinc/46/16/36/566461636.db2.gz KHVCZRSTHPFEND-JKSUJKDBSA-N -1 3 386.249 3.270 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCN1C ZINC000577805568 566466076 /nfs/dbraw/zinc/46/60/76/566466076.db2.gz YSYVISFOJUHIBL-CQSZACIVSA-N -1 3 392.297 3.115 20 0 GGADHM Cc1cccc2sc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)nc21 ZINC000511465265 566466590 /nfs/dbraw/zinc/46/65/90/566466590.db2.gz VSRMHEIQPWHZHC-UHFFFAOYSA-N -1 3 379.438 3.368 20 0 GGADHM C[C@H](C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)(C)C ZINC000672164487 566468774 /nfs/dbraw/zinc/46/87/74/566468774.db2.gz CDWYAZUDOYNHRO-SNVBAGLBSA-N -1 3 381.325 3.070 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1 ZINC000464365692 566468915 /nfs/dbraw/zinc/46/89/15/566468915.db2.gz OKKDUDFCWYGVSN-ZETCQYMHSA-N -1 3 376.194 3.077 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)ccc1Br ZINC000464366789 566469397 /nfs/dbraw/zinc/46/93/97/566469397.db2.gz QNGGAFIEBOHLAH-SSDOTTSWSA-N -1 3 376.194 3.077 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000511582892 566472861 /nfs/dbraw/zinc/47/28/61/566472861.db2.gz WOKBTNDTDWDNAE-UHFFFAOYSA-N -1 3 388.823 3.262 20 0 GGADHM CN(CCCN(C)C(=O)c1cc([O-])cc(Br)c1)Cc1ccco1 ZINC000627215214 566472999 /nfs/dbraw/zinc/47/29/99/566472999.db2.gz HCTOVCJXHSDKNP-UHFFFAOYSA-N -1 3 381.270 3.342 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCCc1c[nH]c2ccc(Br)cc12 ZINC000558464371 566476123 /nfs/dbraw/zinc/47/61/23/566476123.db2.gz PPBRWJZZJSPJBB-UHFFFAOYSA-N -1 3 398.264 3.364 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000558464630 566476681 /nfs/dbraw/zinc/47/66/81/566476681.db2.gz ZPKDWBLEEJKGAC-UHFFFAOYSA-N -1 3 379.247 3.089 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000558463459 566476763 /nfs/dbraw/zinc/47/67/63/566476763.db2.gz FDJLNBHSCLLFGV-HNNXBMFYSA-N -1 3 379.247 3.308 20 0 GGADHM O=C(Cc1cn2ccsc2n1)N=c1ccn(-c2ccc(Cl)cc2Cl)[n-]1 ZINC000537858980 566477482 /nfs/dbraw/zinc/47/74/82/566477482.db2.gz GRVYFLCQRBRLES-UHFFFAOYSA-N -1 3 392.271 3.491 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCCOCc1ccc(Cl)cc1Cl ZINC000558477463 566478224 /nfs/dbraw/zinc/47/82/24/566478224.db2.gz TUTLSXWZVAYNET-UHFFFAOYSA-N -1 3 379.247 3.401 20 0 GGADHM Brc1csc2cnc(=NCc3ccc(N4CCCC4)nc3)[n-]c12 ZINC000577962683 566479141 /nfs/dbraw/zinc/47/91/41/566479141.db2.gz CLNHTDCQILJASY-UHFFFAOYSA-N -1 3 390.310 3.483 20 0 GGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000537930141 566480211 /nfs/dbraw/zinc/48/02/11/566480211.db2.gz BBGFWTRAWNAZKZ-NEPJUHHUSA-N -1 3 378.947 3.107 20 0 GGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448594628 566480288 /nfs/dbraw/zinc/48/02/88/566480288.db2.gz CARSBSKMNMMQCL-XHDPSFHLSA-N -1 3 378.416 3.292 20 0 GGADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448594623 566480470 /nfs/dbraw/zinc/48/04/70/566480470.db2.gz BZPOOMVDSJQBDH-BXUZGUMPSA-N -1 3 378.416 3.148 20 0 GGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448594627 566480681 /nfs/dbraw/zinc/48/06/81/566480681.db2.gz CARSBSKMNMMQCL-NHYWBVRUSA-N -1 3 378.416 3.292 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC[C@H](c2ccccc2)O1)c1cncc(Br)c1 ZINC000577979295 566480829 /nfs/dbraw/zinc/48/08/29/566480829.db2.gz BSHAVHKCEKTKOV-GDBMZVCRSA-N -1 3 397.294 3.043 20 0 GGADHM CS(=O)(=O)c1ccnc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)c1 ZINC000577968762 566481041 /nfs/dbraw/zinc/48/10/41/566481041.db2.gz BFKIOMKKHWIVQU-UHFFFAOYSA-N -1 3 377.809 3.046 20 0 GGADHM CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CCC1 ZINC000537927494 566481072 /nfs/dbraw/zinc/48/10/72/566481072.db2.gz IWVXZESVKIASRN-UHFFFAOYSA-N -1 3 396.228 3.147 20 0 GGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448596154 566482025 /nfs/dbraw/zinc/48/20/25/566482025.db2.gz KKFXOCIHSOKPEW-SMDDNHRTSA-N -1 3 378.416 3.292 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000672373783 566482922 /nfs/dbraw/zinc/48/29/22/566482922.db2.gz DLNRNKRDHRYHSI-SSDOTTSWSA-N -1 3 394.305 3.448 20 0 GGADHM CC[C@@H](C)[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OC ZINC000578029329 566485013 /nfs/dbraw/zinc/48/50/13/566485013.db2.gz KWHTXTCUNMPWMM-HWPZZCPQSA-N -1 3 381.270 3.082 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672384820 566486031 /nfs/dbraw/zinc/48/60/31/566486031.db2.gz GHNIIGQUOLRABS-MRVPVSSYSA-N -1 3 382.335 3.369 20 0 GGADHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672393300 566487260 /nfs/dbraw/zinc/48/72/60/566487260.db2.gz ITJVEKHDMVCMFJ-SNVBAGLBSA-N -1 3 378.347 3.467 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)[C@@H]1CCCCO1 ZINC000672396532 566487291 /nfs/dbraw/zinc/48/72/91/566487291.db2.gz AXIYWKVPCBADDQ-FZMZJTMJSA-N -1 3 399.310 3.233 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000672428129 566488519 /nfs/dbraw/zinc/48/85/19/566488519.db2.gz HJEFLCVKDNZGDV-LBPRGKRZSA-N -1 3 390.288 3.056 20 0 GGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000672427011 566488564 /nfs/dbraw/zinc/48/85/64/566488564.db2.gz OJRKIKUKJIIGFM-VXGBXAGGSA-N -1 3 381.464 3.192 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)s1 ZINC000672415259 566488684 /nfs/dbraw/zinc/48/86/84/566488684.db2.gz BZGGYZJBLHHETA-UWVGGRQHSA-N -1 3 387.914 3.033 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(I)s2)n1 ZINC000602720460 566489816 /nfs/dbraw/zinc/48/98/16/566489816.db2.gz HOCZIQPRLOKQDE-UHFFFAOYSA-N -1 3 389.262 3.182 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000672428580 566490220 /nfs/dbraw/zinc/49/02/20/566490220.db2.gz UFYLKMWVPKRETK-LLVKDONJSA-N -1 3 378.252 3.187 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000672429629 566490409 /nfs/dbraw/zinc/49/04/09/566490409.db2.gz WXIBPTBNEXBXCM-GFCCVEGCSA-N -1 3 393.814 3.413 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)cc(Cl)c1 ZINC000672428349 566490570 /nfs/dbraw/zinc/49/05/70/566490570.db2.gz MZUDIPZGUKWUKC-LLVKDONJSA-N -1 3 378.252 3.187 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)sc1Cl ZINC000672429501 566490664 /nfs/dbraw/zinc/49/06/64/566490664.db2.gz SLJQAUQOKIMHIW-NSHDSACASA-N -1 3 380.318 3.418 20 0 GGADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000538090086 566492268 /nfs/dbraw/zinc/49/22/68/566492268.db2.gz DVZMHOQHRNXCBE-UHFFFAOYSA-N -1 3 390.795 3.386 20 0 GGADHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511865327 566492565 /nfs/dbraw/zinc/49/25/65/566492565.db2.gz XDKDFEADHSLTPL-VIFPVBQESA-N -1 3 378.928 3.009 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H]1C1CCCCC1 ZINC000511867804 566492887 /nfs/dbraw/zinc/49/28/87/566492887.db2.gz MBWGXRWXDYIUEK-CYBMUJFWSA-N -1 3 390.958 3.251 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CCSCc2ccc(Cl)cc2Cl)cn1C ZINC000538121135 566494199 /nfs/dbraw/zinc/49/41/99/566494199.db2.gz QWVNANWQWCTVHJ-UHFFFAOYSA-N -1 3 394.349 3.247 20 0 GGADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1n[nH]cc1Br ZINC000558628663 566495080 /nfs/dbraw/zinc/49/50/80/566495080.db2.gz UHMCNZSLSIHQCZ-UHFFFAOYSA-N -1 3 384.177 3.133 20 0 GGADHM C[C@@H]1CCC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511904522 566495460 /nfs/dbraw/zinc/49/54/60/566495460.db2.gz VUFOOPDZUPZOOK-CHWSQXEVSA-N -1 3 390.908 3.090 20 0 GGADHM CCCc1nnc([N-]C(=O)c2ccc(I)cc2F)s1 ZINC000448761728 566495663 /nfs/dbraw/zinc/49/56/63/566495663.db2.gz QJQHEZDTRVYTGY-UHFFFAOYSA-N -1 3 391.209 3.487 20 0 GGADHM CC(C)(C)CCCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511902572 566496014 /nfs/dbraw/zinc/49/60/14/566496014.db2.gz MQYROYVVHKQBIA-UHFFFAOYSA-N -1 3 378.897 3.090 20 0 GGADHM C[C@H]1CCC[C@H](CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511904525 566496132 /nfs/dbraw/zinc/49/61/32/566496132.db2.gz VUFOOPDZUPZOOK-STQMWFEESA-N -1 3 390.908 3.090 20 0 GGADHM CC(C)COCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485421442 566496622 /nfs/dbraw/zinc/49/66/22/566496622.db2.gz GZMXBTRALGWMRS-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM COc1cc(=NC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)[n-]n1C ZINC000578155092 566497005 /nfs/dbraw/zinc/49/70/05/566497005.db2.gz 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/nfs/dbraw/zinc/52/69/80/566526980.db2.gz WCJZGCGVAJZOPM-HOTGVXAUSA-N -1 3 381.295 3.316 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449084423 566527072 /nfs/dbraw/zinc/52/70/72/566527072.db2.gz XUFIIDJTXDUKAM-QAPCUYQASA-N -1 3 385.291 3.454 20 0 GGADHM Cc1nc(NC(=O)c2nc[n-]n2)sc1Cc1cccc(Br)c1 ZINC000512356105 566528034 /nfs/dbraw/zinc/52/80/34/566528034.db2.gz IMSIKQGBBXSWRC-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1csc(C)n1 ZINC000651508112 566527983 /nfs/dbraw/zinc/52/79/83/566527983.db2.gz CZMSFQABDYYWCY-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449084424 566528237 /nfs/dbraw/zinc/52/82/37/566528237.db2.gz XUFIIDJTXDUKAM-YJBOKZPZSA-N -1 3 385.291 3.454 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)Cc2ccccc2Br)CCCC1 ZINC000559140912 566528315 /nfs/dbraw/zinc/52/83/15/566528315.db2.gz SKPUFPDZSKFNGR-UHFFFAOYSA-N -1 3 376.316 3.218 20 0 GGADHM CS(=O)(=O)Nc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1Cl ZINC000538715579 566529494 /nfs/dbraw/zinc/52/94/94/566529494.db2.gz KGUGFYXBSNYQOE-UHFFFAOYSA-N -1 3 380.853 3.010 20 0 GGADHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000512401840 566531232 /nfs/dbraw/zinc/53/12/32/566531232.db2.gz RIYWIQGZDBXWFZ-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCc2cnc(SC3CCCC3)nc2)s1 ZINC000559156744 566531415 /nfs/dbraw/zinc/53/14/15/566531415.db2.gz UNADPOMWZAZYFH-UHFFFAOYSA-N -1 3 398.579 3.051 20 0 GGADHM O=S(=O)([N-]CCc1cnc(SC2CCCC2)nc1)c1cncc(Cl)c1 ZINC000559155819 566531481 /nfs/dbraw/zinc/53/14/81/566531481.db2.gz PBHQGAXAZFIGNW-UHFFFAOYSA-N -1 3 398.941 3.081 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000465469203 566531482 /nfs/dbraw/zinc/53/14/82/566531482.db2.gz KIORYEOIVAANDM-UHFFFAOYSA-N -1 3 393.336 3.204 20 0 GGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)O1 ZINC000465431956 566531779 /nfs/dbraw/zinc/53/17/79/566531779.db2.gz VTJLMHXJUOCCRL-SKDRFNHKSA-N -1 3 383.221 3.269 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000465478916 566532937 /nfs/dbraw/zinc/53/29/37/566532937.db2.gz ZYQXUMNLHWXXDB-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)c1cccc(Br)c1[O-] ZINC000538746691 566533350 /nfs/dbraw/zinc/53/33/50/566533350.db2.gz UCPIJJRBAQVXGY-UHFFFAOYSA-N -1 3 379.254 3.477 20 0 GGADHM O=S(=O)([N-]CCNc1nccc2ccc(F)cc21)c1ccc(Cl)s1 ZINC000538764086 566533443 /nfs/dbraw/zinc/53/34/43/566533443.db2.gz LLIPDFSWLQEGJK-UHFFFAOYSA-N -1 3 385.873 3.479 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)cn1 ZINC000538756899 566533575 /nfs/dbraw/zinc/53/35/75/566533575.db2.gz HEWNRNQNRDEHAK-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1c(C)noc1C ZINC000651559954 566533844 /nfs/dbraw/zinc/53/38/44/566533844.db2.gz NWYTUSGDLVMYGD-QMMMGPOBSA-N -1 3 379.301 3.463 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000559236004 566534769 /nfs/dbraw/zinc/53/47/69/566534769.db2.gz INWFEVXTWMBRCG-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000559236004 566534772 /nfs/dbraw/zinc/53/47/72/566534772.db2.gz INWFEVXTWMBRCG-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000465497656 566534923 /nfs/dbraw/zinc/53/49/23/566534923.db2.gz USXLFIPXZURSID-GXFFZTMASA-N -1 3 390.299 3.093 20 0 GGADHM CCOC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])nc1C ZINC000603626472 566536357 /nfs/dbraw/zinc/53/63/57/566536357.db2.gz DADLRDZLRZUSFN-UHFFFAOYSA-N -1 3 379.210 3.287 20 0 GGADHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)nc1=N ZINC000559255485 566536535 /nfs/dbraw/zinc/53/65/35/566536535.db2.gz BSHLPLYUWRQGPR-MDZLAQPJSA-N -1 3 380.279 3.002 20 0 GGADHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000465537294 566536576 /nfs/dbraw/zinc/53/65/76/566536576.db2.gz CVODTFBWYFVBEO-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cccc3c2OCCCO3)C2CC2)s1 ZINC000651579207 566536668 /nfs/dbraw/zinc/53/66/68/566536668.db2.gz SIBGWWSJSCMYBQ-OAHLLOKOSA-N -1 3 380.491 3.042 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC1(c2ccccc2)CCCC1 ZINC000603695676 566536621 /nfs/dbraw/zinc/53/66/21/566536621.db2.gz ZLRRVYHBQQOFDJ-UHFFFAOYSA-N -1 3 378.519 3.002 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc3c2OCCCO3)C2CC2)n1 ZINC000651579309 566536890 /nfs/dbraw/zinc/53/68/90/566536890.db2.gz WVGFITQRTIWYLU-HNNXBMFYSA-N -1 3 380.491 3.042 20 0 GGADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(Br)cn3)c[nH]c2c1 ZINC000485892646 566537479 /nfs/dbraw/zinc/53/74/79/566537479.db2.gz DTVJDZGVDZBWIO-UHFFFAOYSA-N -1 3 394.294 3.155 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000651578672 566537620 /nfs/dbraw/zinc/53/76/20/566537620.db2.gz ZHRQPZWOVWZNKE-WCQGTBRESA-N -1 3 394.356 3.301 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2sc(Br)cc2C)s1 ZINC000651581321 566537806 /nfs/dbraw/zinc/53/78/06/566537806.db2.gz OMOONGDLYNODAN-UHFFFAOYSA-N -1 3 381.342 3.316 20 0 GGADHM CCOc1ccc(F)c([N-]C(=O)c2cnn3cc(Br)cnc23)c1F ZINC000538827446 566538297 /nfs/dbraw/zinc/53/82/97/566538297.db2.gz AWXRNZOFNMJWEA-UHFFFAOYSA-N -1 3 397.179 3.421 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](C)c1ccncc1 ZINC000651592186 566538368 /nfs/dbraw/zinc/53/83/68/566538368.db2.gz OSKTXNQQSHLCST-JTQLQIEISA-N -1 3 375.313 3.296 20 0 GGADHM C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508110 566538560 /nfs/dbraw/zinc/53/85/60/566538560.db2.gz OPKHNUOWLINDJR-NXEZZACHSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673505123 566538886 /nfs/dbraw/zinc/53/88/86/566538886.db2.gz NHUCGIZJQAPSEI-NXEZZACHSA-N -1 3 382.247 3.487 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000651585422 566539025 /nfs/dbraw/zinc/53/90/25/566539025.db2.gz RYQPVVSTVCDVCK-UHFFFAOYSA-N -1 3 381.342 3.371 20 0 GGADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000578620941 566539171 /nfs/dbraw/zinc/53/91/71/566539171.db2.gz WCYAJGOKHOUSAQ-CQSZACIVSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508112 566539509 /nfs/dbraw/zinc/53/95/09/566539509.db2.gz OPKHNUOWLINDJR-VHSXEESVSA-N -1 3 382.247 3.487 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)s1 ZINC000651592305 566539471 /nfs/dbraw/zinc/53/94/71/566539471.db2.gz UVRCCOXQJXWHEB-JTQLQIEISA-N -1 3 386.518 3.423 20 0 GGADHM C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508427 566539578 /nfs/dbraw/zinc/53/95/78/566539578.db2.gz SOGGXRMKXJOREH-UWVGGRQHSA-N -1 3 382.247 3.487 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2sc(Br)cc2C)CCC1 ZINC000651601915 566539959 /nfs/dbraw/zinc/53/99/59/566539959.db2.gz VFUSSRMKIBGRQG-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000651606630 566540236 /nfs/dbraw/zinc/54/02/36/566540236.db2.gz SOTOOIQPPWXORJ-SNVBAGLBSA-N -1 3 380.329 3.199 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1nc(C)c(C)s1 ZINC000651603020 566540375 /nfs/dbraw/zinc/54/03/75/566540375.db2.gz KBSFERJLCUPHLV-UHFFFAOYSA-N -1 3 395.369 3.413 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000651607378 566540665 /nfs/dbraw/zinc/54/06/65/566540665.db2.gz NLRYQAXBSASHTB-UHFFFAOYSA-N -1 3 388.308 3.328 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000578644787 566541668 /nfs/dbraw/zinc/54/16/68/566541668.db2.gz IAHRHDXUVKNNEJ-MRXNPFEDSA-N -1 3 387.910 3.090 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000538850718 566541781 /nfs/dbraw/zinc/54/17/81/566541781.db2.gz VILUZFJZZRREGL-UHFFFAOYSA-N -1 3 398.264 3.459 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)oc1C ZINC000538850751 566542346 /nfs/dbraw/zinc/54/23/46/566542346.db2.gz XQNWZZJAQIRRIT-UHFFFAOYSA-N -1 3 384.262 3.221 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)no1 ZINC000485944248 566543071 /nfs/dbraw/zinc/54/30/71/566543071.db2.gz WNSCFESMLLCQTD-UHFFFAOYSA-N -1 3 376.837 3.261 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000673574555 566543444 /nfs/dbraw/zinc/54/34/44/566543444.db2.gz RIEWITVSDLQYLF-VIFPVBQESA-N -1 3 388.898 3.408 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000603889608 566543756 /nfs/dbraw/zinc/54/37/56/566543756.db2.gz VPYAYGLFYAAAMC-JTQLQIEISA-N -1 3 397.287 3.359 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485957472 566544115 /nfs/dbraw/zinc/54/41/15/566544115.db2.gz XCSDPAGWUODMPN-YGRLFVJLSA-N -1 3 398.750 3.319 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485957471 566544322 /nfs/dbraw/zinc/54/43/22/566544322.db2.gz XCSDPAGWUODMPN-QMTHXVAHSA-N -1 3 398.750 3.319 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[n-]1 ZINC000559371294 566545706 /nfs/dbraw/zinc/54/57/06/566545706.db2.gz UVHMNSZJKYXMLO-UHFFFAOYSA-N -1 3 379.869 3.260 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1nnc(C)s1 ZINC000651642530 566546723 /nfs/dbraw/zinc/54/67/23/566546723.db2.gz ZJNOLHPVNNYCSP-ZCFIWIBFSA-N -1 3 382.330 3.018 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000651646632 566546850 /nfs/dbraw/zinc/54/68/50/566546850.db2.gz LGCWMRHPSIGEGG-JSGCOSHPSA-N -1 3 394.356 3.303 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@@H]1CCO[C@H](C)C1 ZINC000651638878 566547115 /nfs/dbraw/zinc/54/71/15/566547115.db2.gz NWDVRHMPRYGYMP-GHMZBOCLSA-N -1 3 382.345 3.303 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1nnc(C)s1 ZINC000651642529 566547200 /nfs/dbraw/zinc/54/72/00/566547200.db2.gz ZJNOLHPVNNYCSP-LURJTMIESA-N -1 3 382.330 3.018 20 0 GGADHM C[C@@]1(c2ccc(C(=O)NCc3cc(Cl)sc3Cl)cc2)NC(=O)[N-]C1=O ZINC000538909738 566548144 /nfs/dbraw/zinc/54/81/44/566548144.db2.gz ASTLDHGRWCHFCY-INIZCTEOSA-N -1 3 398.271 3.040 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000486005693 566548853 /nfs/dbraw/zinc/54/88/53/566548853.db2.gz WLBCIVFTTHBYIZ-UHFFFAOYSA-N -1 3 383.491 3.137 20 0 GGADHM CCC[C@H](C)S(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000651646980 566548941 /nfs/dbraw/zinc/54/89/41/566548941.db2.gz YTUMPIYHPLZISH-GWCFXTLKSA-N -1 3 376.404 3.021 20 0 GGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccc(F)cc1I ZINC000424624948 566549161 /nfs/dbraw/zinc/54/91/61/566549161.db2.gz RTKJIMKGNWFAAQ-RNCFNFMXSA-N -1 3 379.213 3.265 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000673660386 566549852 /nfs/dbraw/zinc/54/98/52/566549852.db2.gz NUSKZVMXYCAQIA-UHFFFAOYSA-N -1 3 396.387 3.409 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000651671200 566550354 /nfs/dbraw/zinc/55/03/54/566550354.db2.gz JWISWHIJXBFGAX-PBHICJAKSA-N -1 3 387.835 3.063 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1 ZINC000651683809 566551593 /nfs/dbraw/zinc/55/15/93/566551593.db2.gz OMASPVWFUQERIE-GFCCVEGCSA-N -1 3 398.344 3.031 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000651689140 566551990 /nfs/dbraw/zinc/55/19/90/566551990.db2.gz JJEHEJQOXHWEOX-LLVKDONJSA-N -1 3 394.356 3.447 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1Cl ZINC000604059742 566552094 /nfs/dbraw/zinc/55/20/94/566552094.db2.gz GMPOQUPYFAXFDQ-NWDGAFQWSA-N -1 3 393.336 3.227 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(F)cc1Cl ZINC000604058730 566552685 /nfs/dbraw/zinc/55/26/85/566552685.db2.gz OBBILJOZNMFEGM-INIZCTEOSA-N -1 3 382.888 3.422 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1 ZINC000651707753 566553423 /nfs/dbraw/zinc/55/34/23/566553423.db2.gz XMARXJJNNYDWAG-UHFFFAOYSA-N -1 3 398.254 3.025 20 0 GGADHM COc1ncccc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000604082818 566554379 /nfs/dbraw/zinc/55/43/79/566554379.db2.gz LLQFKYXNPBASNY-UHFFFAOYSA-N -1 3 391.200 3.056 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(OC(C)(C)C)nc1 ZINC000486080067 566555146 /nfs/dbraw/zinc/55/51/46/566555146.db2.gz JSIGFNSVJFKSHM-UHFFFAOYSA-N -1 3 384.885 3.399 20 0 GGADHM CCCCS[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000604127155 566555734 /nfs/dbraw/zinc/55/57/34/566555734.db2.gz BORXAHFOVAKHRV-NSHDSACASA-N -1 3 398.472 3.388 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000486088854 566556123 /nfs/dbraw/zinc/55/61/23/566556123.db2.gz KBEGJPRXQCTOOP-UHFFFAOYSA-N -1 3 379.787 3.287 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCc1ncccc1C ZINC000651727233 566556229 /nfs/dbraw/zinc/55/62/29/566556229.db2.gz NFTNBBMCHNXIJB-UHFFFAOYSA-N -1 3 389.340 3.434 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(Cl)cc2c1OCC2 ZINC000486088936 566556629 /nfs/dbraw/zinc/55/66/29/566556629.db2.gz PHCXMMXZJUYPHC-UHFFFAOYSA-N -1 3 388.272 3.415 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1CCOC(C)(C)C1 ZINC000651735278 566557968 /nfs/dbraw/zinc/55/79/68/566557968.db2.gz LGPVUYKCIAWOOT-SNVBAGLBSA-N -1 3 382.345 3.303 20 0 GGADHM O=c1cc(C=Cc2cnc3ccc(Br)cn23)nc(-c2ccncc2)[n-]1 ZINC000486100179 566557430 /nfs/dbraw/zinc/55/74/30/566557430.db2.gz ADWHHPIEGXQVFF-IHWYPQMZSA-N -1 3 394.232 3.413 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)c[nH]1 ZINC000673818233 566557514 /nfs/dbraw/zinc/55/75/14/566557514.db2.gz CIBAHLSVKRGEBR-UHFFFAOYSA-N -1 3 384.914 3.317 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccc(C)c(C)n1 ZINC000651737566 566557881 /nfs/dbraw/zinc/55/78/81/566557881.db2.gz JFZAVPZQFKIEEJ-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC000651743439 566558131 /nfs/dbraw/zinc/55/81/31/566558131.db2.gz VAHXPKUEZMOFOZ-LBPRGKRZSA-N -1 3 388.308 3.369 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651740580 566558165 /nfs/dbraw/zinc/55/81/65/566558165.db2.gz FJYAHGAIJZYFQL-UHFFFAOYSA-N -1 3 382.345 3.303 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F)CC(F)(F)F ZINC000651740793 566558235 /nfs/dbraw/zinc/55/82/35/566558235.db2.gz NJOTZTMQWYADEL-VIFPVBQESA-N -1 3 385.427 3.485 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000651742560 566558275 /nfs/dbraw/zinc/55/82/75/566558275.db2.gz RUFDVSFJFRUZPI-UHFFFAOYSA-N -1 3 394.341 3.026 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F)CC(F)(F)F ZINC000651740792 566558338 /nfs/dbraw/zinc/55/83/38/566558338.db2.gz NJOTZTMQWYADEL-SECBINFHSA-N -1 3 385.427 3.485 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)c[nH]1 ZINC000673820840 566558810 /nfs/dbraw/zinc/55/88/10/566558810.db2.gz KNNDDEQERQLKKE-STQMWFEESA-N -1 3 384.299 3.130 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]CCCc2cccc(Br)c2)c[nH]1 ZINC000673821349 566559070 /nfs/dbraw/zinc/55/90/70/566559070.db2.gz HYHUBVPZRVPFLE-UHFFFAOYSA-N -1 3 386.315 3.207 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)s1 ZINC000673824872 566560113 /nfs/dbraw/zinc/56/01/13/566560113.db2.gz GBXKGTAPHQTVFR-MELADBBJSA-N -1 3 380.535 3.416 20 0 GGADHM COc1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(Br)c1[O-] ZINC000449415185 566560121 /nfs/dbraw/zinc/56/01/21/566560121.db2.gz ZPDIFELCRUUZTC-LBPRGKRZSA-N -1 3 399.329 3.277 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)s1 ZINC000673824873 566560542 /nfs/dbraw/zinc/56/05/42/566560542.db2.gz GBXKGTAPHQTVFR-MGPQQGTHSA-N -1 3 380.535 3.416 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000628479697 566560798 /nfs/dbraw/zinc/56/07/98/566560798.db2.gz XQXSIXBBFAJUGB-INIZCTEOSA-N -1 3 393.306 3.485 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)N(C)C ZINC000486124041 566561208 /nfs/dbraw/zinc/56/12/08/566561208.db2.gz NXTAEXZFYIWZGA-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(I)c1OC ZINC000486144583 566562240 /nfs/dbraw/zinc/56/22/40/566562240.db2.gz GLMQWDDRRYNXBZ-SNAWJCMRSA-N -1 3 398.200 3.283 20 0 GGADHM COc1ccc(CNc2ccncc2Br)c(Br)c1[O-] ZINC000486350423 566579848 /nfs/dbraw/zinc/57/98/48/566579848.db2.gz DYRIWVCPLQTTEQ-UHFFFAOYSA-N -1 3 388.059 3.355 20 0 GGADHM COCC1(C)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000539137527 566563093 /nfs/dbraw/zinc/56/30/93/566563093.db2.gz PCXSLBQCGNHQKO-UHFFFAOYSA-N -1 3 393.281 3.179 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c(Cl)c1Cl ZINC000559634777 566563679 /nfs/dbraw/zinc/56/36/79/566563679.db2.gz UOYHFNHMWVYMCG-ZDUSSCGKSA-N -1 3 398.308 3.214 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)c1Cl ZINC000604407927 566564788 /nfs/dbraw/zinc/56/47/88/566564788.db2.gz NUDFOCZPFKESTA-LBPRGKRZSA-N -1 3 382.309 3.084 20 0 GGADHM COc1ccccc1CNCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000512862332 566564856 /nfs/dbraw/zinc/56/48/56/566564856.db2.gz ULPHRHXGEAEITP-UHFFFAOYSA-N -1 3 389.304 3.070 20 0 GGADHM O=S(=O)([N-]c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1CC1 ZINC000559657292 566565353 /nfs/dbraw/zinc/56/53/53/566565353.db2.gz LTCNNPYLBDWJQN-UHFFFAOYSA-N -1 3 393.305 3.473 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H]([C@H]2CCCO2)C2(CO)CCC2)s1 ZINC000578925419 566565667 /nfs/dbraw/zinc/56/56/67/566565667.db2.gz XMVYYWPZVDQDGF-CJNGLKHVSA-N -1 3 387.567 3.034 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)s1 ZINC000578925418 566565914 /nfs/dbraw/zinc/56/59/14/566565914.db2.gz XMVYYWPZVDQDGF-BBRMVZONSA-N -1 3 387.567 3.034 20 0 GGADHM COc1cccc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000512875062 566566836 /nfs/dbraw/zinc/56/68/36/566566836.db2.gz YHHFMMNSWAUNCE-UHFFFAOYSA-N -1 3 389.304 3.070 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)c(F)c1)c1cccc(Cl)c1Cl ZINC000512900551 566568067 /nfs/dbraw/zinc/56/80/67/566568067.db2.gz ZBXQDQJVKPODQM-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)c1 ZINC000604536299 566568835 /nfs/dbraw/zinc/56/88/35/566568835.db2.gz BNKPTNYFABOJQW-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)N1CCc2ccccc21 ZINC000486245995 566571187 /nfs/dbraw/zinc/57/11/87/566571187.db2.gz SXZIQOKKFPVXPB-ZDUSSCGKSA-N -1 3 380.897 3.078 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000559840805 566571329 /nfs/dbraw/zinc/57/13/29/566571329.db2.gz NTWUVZAEZGJFQP-QFIPXVFZSA-N -1 3 379.837 3.298 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000486268362 566572718 /nfs/dbraw/zinc/57/27/18/566572718.db2.gz HYSHMSOOSPRXJM-LRDDRELGSA-N -1 3 375.918 3.468 20 0 GGADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1 ZINC000559841139 566572860 /nfs/dbraw/zinc/57/28/60/566572860.db2.gz JAIYRDIUHQRSKG-HSZRJFAPSA-N -1 3 387.910 3.418 20 0 GGADHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000651888990 566573054 /nfs/dbraw/zinc/57/30/54/566573054.db2.gz FFGGSSSNZOJMLA-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000486268359 566573048 /nfs/dbraw/zinc/57/30/48/566573048.db2.gz HYSHMSOOSPRXJM-BLLLJJGKSA-N -1 3 375.918 3.468 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC000486264247 566573344 /nfs/dbraw/zinc/57/33/44/566573344.db2.gz YBPKOOQZOXOEDA-HNNXBMFYSA-N -1 3 380.897 3.296 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(NC(C)=O)c1 ZINC000486266547 566573482 /nfs/dbraw/zinc/57/34/82/566573482.db2.gz BYPPPRVEPRIYQN-LLVKDONJSA-N -1 3 382.869 3.347 20 0 GGADHM C[C@]1(c2ccc(CNCc3cc(Cl)ccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000513033311 566573985 /nfs/dbraw/zinc/57/39/85/566573985.db2.gz YFTHHTVWXOAYLH-GOSISDBHSA-N -1 3 378.259 3.338 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000674068650 566575877 /nfs/dbraw/zinc/57/58/77/566575877.db2.gz YKODHKDXVFIILQ-UHFFFAOYSA-N -1 3 380.901 3.195 20 0 GGADHM Cn1ncc2c1nc(CN1CCSC[C@@H]1c1ccc(Cl)cc1)[n-]c2=O ZINC000604761324 566576221 /nfs/dbraw/zinc/57/62/21/566576221.db2.gz DQMUMSVBNWLRJW-CQSZACIVSA-N -1 3 375.885 3.012 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C2CC3(CCC3)C2)s1 ZINC000651919948 566576302 /nfs/dbraw/zinc/57/63/02/566576302.db2.gz SBRJIXSLXMGMTK-UHFFFAOYSA-N -1 3 384.567 3.064 20 0 GGADHM O=S(=O)([N-]C1CC2(CCC2)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000651919696 566576426 /nfs/dbraw/zinc/57/64/26/566576426.db2.gz FRJOFDFTBOIZRL-ZDUSSCGKSA-N -1 3 385.913 3.366 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccon1 ZINC000539372051 566577306 /nfs/dbraw/zinc/57/73/06/566577306.db2.gz SREDWQYGBFKTIO-SSDOTTSWSA-N -1 3 399.188 3.495 20 0 GGADHM COc1ncnc(OC)c1C(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000466460367 566577822 /nfs/dbraw/zinc/57/78/22/566577822.db2.gz BNCQLEKVLHSVGN-UHFFFAOYSA-N -1 3 390.596 3.301 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CCC1 ZINC000513092640 566580277 /nfs/dbraw/zinc/58/02/77/566580277.db2.gz POTNBXDESQZRLB-UHFFFAOYSA-N -1 3 389.901 3.002 20 0 GGADHM O=C([O-])C1(NCc2ncc(Br)cc2Br)CCCCC1 ZINC000559980784 566581047 /nfs/dbraw/zinc/58/10/47/566581047.db2.gz WWACUJHXAUYMQY-UHFFFAOYSA-N -1 3 392.091 3.484 20 0 GGADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466519138 566580956 /nfs/dbraw/zinc/58/09/56/566580956.db2.gz PBPPNIAMGMUJEY-CQSZACIVSA-N -1 3 375.343 3.398 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513126485 566581055 /nfs/dbraw/zinc/58/10/55/566581055.db2.gz UARVIMAKIVVPGO-UONOGXRCSA-N -1 3 391.942 3.469 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2cc3cc(Br)ccc3[nH]2)s1 ZINC000466511371 566581165 /nfs/dbraw/zinc/58/11/65/566581165.db2.gz AMELFHYFGSLTQJ-UHFFFAOYSA-N -1 3 386.296 3.174 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccco2)no1)c1c(Cl)cccc1Cl ZINC000559976606 566581288 /nfs/dbraw/zinc/58/12/88/566581288.db2.gz WIOACYVEFFQUHT-UHFFFAOYSA-N -1 3 388.232 3.157 20 0 GGADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513126484 566581652 /nfs/dbraw/zinc/58/16/52/566581652.db2.gz UARVIMAKIVVPGO-KGLIPLIRSA-N -1 3 391.942 3.469 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1cc(Br)ccc1F ZINC000466520483 566582107 /nfs/dbraw/zinc/58/21/07/566582107.db2.gz VCNYTJLOAPXUEN-GFCCVEGCSA-N -1 3 390.205 3.139 20 0 GGADHM CCSc1cccc(NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)c1 ZINC000486359301 566582149 /nfs/dbraw/zinc/58/21/49/566582149.db2.gz KWGSHFNKKFUWJR-UHFFFAOYSA-N -1 3 383.470 3.490 20 0 GGADHM C[C@H](c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1)n1cccn1 ZINC000559987388 566582413 /nfs/dbraw/zinc/58/24/13/566582413.db2.gz NCYKLXRYXMHTJJ-SECBINFHSA-N -1 3 386.213 3.090 20 0 GGADHM C[C@H](c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1)n1cccn1 ZINC000559987388 566582416 /nfs/dbraw/zinc/58/24/16/566582416.db2.gz NCYKLXRYXMHTJJ-SECBINFHSA-N -1 3 386.213 3.090 20 0 GGADHM C[C@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)n1cccn1 ZINC000559987388 566582419 /nfs/dbraw/zinc/58/24/19/566582419.db2.gz NCYKLXRYXMHTJJ-SECBINFHSA-N -1 3 386.213 3.090 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1F ZINC000513145206 566582584 /nfs/dbraw/zinc/58/25/84/566582584.db2.gz YSEAZMYBECWGDL-LLVKDONJSA-N -1 3 385.844 3.175 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1csc(-c2ccccc2)n1 ZINC000466540692 566582912 /nfs/dbraw/zinc/58/29/12/566582912.db2.gz GTJAXUHDNSWKLK-CQSZACIVSA-N -1 3 376.434 3.361 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(Br)s1 ZINC000466534516 566583541 /nfs/dbraw/zinc/58/35/41/566583541.db2.gz QKUFHDCYGJYPET-VIFPVBQESA-N -1 3 378.244 3.062 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000539490174 566583935 /nfs/dbraw/zinc/58/39/35/566583935.db2.gz WJEJHLICRHPRGC-UHFFFAOYSA-N -1 3 392.224 3.211 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1cc(C(F)(F)F)ccc1F ZINC000466548015 566584356 /nfs/dbraw/zinc/58/43/56/566584356.db2.gz KMDFZCYGNBKRIC-GFCCVEGCSA-N -1 3 379.306 3.396 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(F)cc1Br ZINC000466547046 566584669 /nfs/dbraw/zinc/58/46/69/566584669.db2.gz YABSUPIAYJJOND-GFCCVEGCSA-N -1 3 390.205 3.139 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n(C2CCN(C)CC2)n1 ZINC000674333964 566585390 /nfs/dbraw/zinc/58/53/90/566585390.db2.gz VVAUAOLFQFKARE-UHFFFAOYSA-N -1 3 386.880 3.052 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N(C)Cc2ccc(Cl)s2)ccc1F ZINC000486408780 566586256 /nfs/dbraw/zinc/58/62/56/566586256.db2.gz RECCLSBRPAXPOH-UHFFFAOYSA-N -1 3 391.877 3.113 20 0 GGADHM CC(C)Oc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000539529667 566586561 /nfs/dbraw/zinc/58/65/61/566586561.db2.gz STLNDOKBLXHNLY-UHFFFAOYSA-N -1 3 388.942 3.257 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000513171422 566586640 /nfs/dbraw/zinc/58/66/40/566586640.db2.gz QBUHXUQKMCKHKF-CJNGLKHVSA-N -1 3 379.865 3.036 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1 ZINC000513173041 566586716 /nfs/dbraw/zinc/58/67/16/566586716.db2.gz XBQYVPBJFJUMQM-UHFFFAOYSA-N -1 3 381.881 3.383 20 0 GGADHM O=S(=O)([N-][C@@H](c1cncc(Br)c1)C1CC1)c1ccccc1F ZINC000560020005 566586850 /nfs/dbraw/zinc/58/68/50/566586850.db2.gz WXGREPOTFLVQLG-OAHLLOKOSA-N -1 3 385.258 3.413 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2ccc(O)cc2C1 ZINC000486424742 566587372 /nfs/dbraw/zinc/58/73/72/566587372.db2.gz OMEYFQZBLJFMLW-UHFFFAOYSA-N -1 3 377.238 3.128 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC)cc1 ZINC000513171719 566587520 /nfs/dbraw/zinc/58/75/20/566587520.db2.gz RGXUVROPTAIHFZ-NSHDSACASA-N -1 3 383.853 3.175 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000486426551 566587574 /nfs/dbraw/zinc/58/75/74/566587574.db2.gz GGLWNRVQZJUANR-QGZVFWFLSA-N -1 3 391.265 3.438 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO[C@@H]1C1CC1 ZINC000466587315 566587565 /nfs/dbraw/zinc/58/75/65/566587565.db2.gz SAUXNIYDZLKGOX-HUUCEWRRSA-N -1 3 392.290 3.072 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO[C@H]1C1CC1 ZINC000466587316 566587606 /nfs/dbraw/zinc/58/76/06/566587606.db2.gz SAUXNIYDZLKGOX-LSDHHAIUSA-N -1 3 392.290 3.072 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000539554705 566588698 /nfs/dbraw/zinc/58/86/98/566588698.db2.gz CCEJHUJZPMIORG-NSHDSACASA-N -1 3 390.814 3.315 20 0 GGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000560037650 566589211 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AQAOVEZOSGZWRJ-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM CS(=O)(=O)c1ccnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000579384185 566604245 /nfs/dbraw/zinc/60/42/45/566604245.db2.gz DQDXCUFMLQQICW-UHFFFAOYSA-N -1 3 377.809 3.046 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)(C)C ZINC000466882160 566604278 /nfs/dbraw/zinc/60/42/78/566604278.db2.gz AQAOVEZOSGZWRJ-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1(C)C ZINC000466885702 566604511 /nfs/dbraw/zinc/60/45/11/566604511.db2.gz ASLONVMSXJBRIE-GWCFXTLKSA-N -1 3 382.345 3.301 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)(C)C ZINC000466888691 566604547 /nfs/dbraw/zinc/60/45/47/566604547.db2.gz LSZVXQRCRZNZTJ-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CCc2cncs2)c(F)cc1F ZINC000579382314 566604454 /nfs/dbraw/zinc/60/44/54/566604454.db2.gz TYXHCNHPQOZHPN-UHFFFAOYSA-N -1 3 389.449 3.144 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 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GGADHM O=C(CC1(O)CCC1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000449838951 566607267 /nfs/dbraw/zinc/60/72/67/566607267.db2.gz JXZQXRFRLXVLKC-UHFFFAOYSA-N -1 3 384.661 3.158 20 0 GGADHM CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486650271 566607987 /nfs/dbraw/zinc/60/79/87/566607987.db2.gz KBEGOWDQORCKDM-PBHICJAKSA-N -1 3 385.302 3.500 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC[C@@H]1c1ccccc1 ZINC000486645329 566608255 /nfs/dbraw/zinc/60/82/55/566608255.db2.gz LMFOLBDAGNBGCZ-MRXNPFEDSA-N -1 3 391.265 3.438 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486644956 566608585 /nfs/dbraw/zinc/60/85/85/566608585.db2.gz JQHLIVAYHBCXEB-CABCVRRESA-N -1 3 385.302 3.500 20 0 GGADHM CCN(Cc1cc(Br)ccc1F)CC1(O)CCC(C(=O)[O-])CC1 ZINC000652405598 566609154 /nfs/dbraw/zinc/60/91/54/566609154.db2.gz ZFCIUGDZNPNCSK-UHFFFAOYSA-N -1 3 388.277 3.416 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCOCC1 ZINC000466927613 566609355 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COCCOc1ccccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000579488736 566613094 /nfs/dbraw/zinc/61/30/94/566613094.db2.gz ZAPGXTGAWHCCLO-UHFFFAOYSA-N -1 3 383.853 3.101 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)c1sccc1OC)C(=O)OC(C)(C)C ZINC000425190497 566613676 /nfs/dbraw/zinc/61/36/76/566613676.db2.gz RIHDHLFJLNVNGE-UHFFFAOYSA-N -1 3 377.528 3.183 20 0 GGADHM C[C@@H](c1cnccn1)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000652506351 566614134 /nfs/dbraw/zinc/61/41/34/566614134.db2.gz FFTQYLJTYLAQDY-TUKIKUTGSA-N -1 3 376.254 3.100 20 0 GGADHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)s1 ZINC000425191703 566614354 /nfs/dbraw/zinc/61/43/54/566614354.db2.gz XJNFDKVKSNXWIE-ZDUSSCGKSA-N -1 3 382.507 3.203 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000652495700 566614863 /nfs/dbraw/zinc/61/48/63/566614863.db2.gz BHCWJIXQOYQJFE-GXTWGEPZSA-N -1 3 376.280 3.310 20 0 GGADHM O=S(=O)([N-]CCNc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000486703729 566615471 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CC(C)n1cnc(S(=O)(=O)[N-]C(C)(C)c2ccc(Br)cc2)c1 ZINC000513796108 566623707 /nfs/dbraw/zinc/62/37/07/566623707.db2.gz PWCUYDFZUMDILJ-UHFFFAOYSA-N -1 3 386.315 3.440 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1F ZINC000513791144 566625001 /nfs/dbraw/zinc/62/50/01/566625001.db2.gz KFEODXFGLVPXMM-UHFFFAOYSA-N -1 3 375.219 3.101 20 0 GGADHM CCc1cc(C(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)ccc1[O-] ZINC000486819154 566625238 /nfs/dbraw/zinc/62/52/38/566625238.db2.gz CYKQRXRHMZAEMD-INIZCTEOSA-N -1 3 391.265 3.016 20 0 GGADHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000540068720 566625634 /nfs/dbraw/zinc/62/56/34/566625634.db2.gz HOCGAOTZMVQSBZ-BMIGLBTASA-N -1 3 375.899 3.465 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)c1 ZINC000513801238 566625610 /nfs/dbraw/zinc/62/56/10/566625610.db2.gz RPPNICNXWSCEQO-UHFFFAOYSA-N -1 3 384.914 3.248 20 0 GGADHM CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000513806292 566625757 /nfs/dbraw/zinc/62/57/57/566625757.db2.gz GUSFUUQAUKYNRO-OAHLLOKOSA-N -1 3 384.860 3.317 20 0 GGADHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000675147711 566626375 /nfs/dbraw/zinc/62/63/75/566626375.db2.gz VBIVONVHVVKALQ-UHFFFAOYSA-N -1 3 384.910 3.004 20 0 GGADHM CSc1cc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)ccn1 ZINC000540068582 566626359 /nfs/dbraw/zinc/62/63/59/566626359.db2.gz DNBURGVZSBCVEB-UHFFFAOYSA-N -1 3 377.516 3.406 20 0 GGADHM CC[C@H]1COC(C)(C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000652759603 566626999 /nfs/dbraw/zinc/62/69/99/566626999.db2.gz IKVQEGFITIYSTQ-LBPRGKRZSA-N -1 3 393.281 3.320 20 0 GGADHM NC(=O)[C@@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000467115726 566626986 /nfs/dbraw/zinc/62/69/86/566626986.db2.gz IMVPXYOJACEDNJ-GDBMZVCRSA-N -1 3 380.897 3.206 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1cc(F)ccc1Cl ZINC000486833870 566627154 /nfs/dbraw/zinc/62/71/54/566627154.db2.gz NKLCYFQZHPKRIQ-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM CC(C)O[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000652747948 566627178 /nfs/dbraw/zinc/62/71/78/566627178.db2.gz IILYKLQRRVUSCW-ZDUSSCGKSA-N -1 3 393.281 3.320 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H](CC)CO1 ZINC000652765148 566627546 /nfs/dbraw/zinc/62/75/46/566627546.db2.gz WUDKRRUUBRXVNG-QWHCGFSZSA-N -1 3 393.281 3.320 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C=CCCC2)cc1Cl ZINC000467125249 566627462 /nfs/dbraw/zinc/62/74/62/566627462.db2.gz HUPDILMHKCHFHB-SECBINFHSA-N -1 3 380.691 3.498 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CCCSC1 ZINC000579663350 566628689 /nfs/dbraw/zinc/62/86/89/566628689.db2.gz LCFMGSFWLISIKU-VIFPVBQESA-N -1 3 392.905 3.002 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)c(Cl)c1Cl ZINC000513839019 566628928 /nfs/dbraw/zinc/62/89/28/566628928.db2.gz BNJLKNRDFYIYPW-AWEZNQCLSA-N -1 3 384.325 3.323 20 0 GGADHM CC[C@@H]1CCCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000540099157 566629113 /nfs/dbraw/zinc/62/91/13/566629113.db2.gz QALADWFUEIAVRC-LLVKDONJSA-N -1 3 396.228 3.147 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000513848725 566630077 /nfs/dbraw/zinc/63/00/77/566630077.db2.gz MIVVFJSBCIAGDV-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000606454924 566630188 /nfs/dbraw/zinc/63/01/88/566630188.db2.gz SYLODLKQNVYFBG-WMLDXEAASA-N -1 3 388.555 3.085 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCC(C)C)cc1 ZINC000606454969 566630629 /nfs/dbraw/zinc/63/06/29/566630629.db2.gz WZXVDRWUDMKGSU-HNNXBMFYSA-N -1 3 390.571 3.331 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000606454923 566630909 /nfs/dbraw/zinc/63/09/09/566630909.db2.gz SYLODLKQNVYFBG-RHSMWYFYSA-N -1 3 388.555 3.085 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC2CC2)C(C)C)cc1 ZINC000606455766 566631555 /nfs/dbraw/zinc/63/15/55/566631555.db2.gz WCYGGRLQTXWKSX-UHFFFAOYSA-N -1 3 388.555 3.038 20 0 GGADHM CCOC1(CS(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000629284068 566632995 /nfs/dbraw/zinc/63/29/95/566632995.db2.gz ABMYBVHYGGZRAX-UHFFFAOYSA-N -1 3 399.843 3.269 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3c(F)cc(Br)cc3C2)on1 ZINC000675251498 566634057 /nfs/dbraw/zinc/63/40/57/566634057.db2.gz WGJJKEDQSQKFEM-SNVBAGLBSA-N -1 3 382.233 3.270 20 0 GGADHM CCCOc1ccc([N-]S(=O)(=O)CC2(OCC)CCOCC2)cc1Cl ZINC000629287781 566635295 /nfs/dbraw/zinc/63/52/95/566635295.db2.gz XBWCYLUTPGDWNS-UHFFFAOYSA-N -1 3 391.917 3.456 20 0 GGADHM COc1ccc(CNc2ccc(N3CCCC3)cn2)c(Br)c1[O-] ZINC000425373866 566635475 /nfs/dbraw/zinc/63/54/75/566635475.db2.gz WBDXRPBPKVZMDH-UHFFFAOYSA-N -1 3 378.270 3.193 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)n1C ZINC000629286988 566635664 /nfs/dbraw/zinc/63/56/64/566635664.db2.gz JKXXWKOKOMERAU-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ccc(F)c(F)c1 ZINC000540214191 566636024 /nfs/dbraw/zinc/63/60/24/566636024.db2.gz YYISQAKDHOQBMO-HNNXBMFYSA-N -1 3 384.429 3.241 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-]c1cccc(-c2nnco2)c1 ZINC000579757952 566636656 /nfs/dbraw/zinc/63/66/56/566636656.db2.gz PGQUKROZXPQVLY-UHFFFAOYSA-N -1 3 394.250 3.441 20 0 GGADHM Cc1ccnc([C@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000560572441 566639267 /nfs/dbraw/zinc/63/92/67/566639267.db2.gz RLFDVVYULNHICA-LBPRGKRZSA-N -1 3 388.320 3.326 20 0 GGADHM C[C@@H](OCCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000450150043 566639962 /nfs/dbraw/zinc/63/99/62/566639962.db2.gz CNXBLCLMIOJFKA-CYBMUJFWSA-N -1 3 378.266 3.419 20 0 GGADHM COC(=O)CCSc1ncccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000487023332 566643579 /nfs/dbraw/zinc/64/35/79/566643579.db2.gz XZOALXDOZQLNMS-UHFFFAOYSA-N -1 3 380.853 3.277 20 0 GGADHM C[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)C1=CCN(C)CC1 ZINC000487035436 566644443 /nfs/dbraw/zinc/64/44/43/566644443.db2.gz GGZGDYFTZQPQRO-NSHDSACASA-N -1 3 390.281 3.083 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000675456584 566645430 /nfs/dbraw/zinc/64/54/30/566645430.db2.gz AWQPNYHOZQUGND-GFCCVEGCSA-N -1 3 386.926 3.215 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccnc(Oc2ccccc2)c1 ZINC000675452958 566645491 /nfs/dbraw/zinc/64/54/91/566645491.db2.gz BNMGBOWCBAGQIO-UHFFFAOYSA-N -1 3 376.459 3.423 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccnc(N2CCCCC2)n1 ZINC000606832258 566646102 /nfs/dbraw/zinc/64/61/02/566646102.db2.gz RFUOOBVOTUGYKW-UHFFFAOYSA-N -1 3 377.242 3.187 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000450222556 566646299 /nfs/dbraw/zinc/64/62/99/566646299.db2.gz DRBILHBKCOTRJC-UHFFFAOYSA-N -1 3 384.954 3.387 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000606827510 566646326 /nfs/dbraw/zinc/64/63/26/566646326.db2.gz PONNJUQQKQNMEP-AWEZNQCLSA-N -1 3 376.906 3.286 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nc3cccc(F)c3s2)CC1)c1cccs1 ZINC000450231817 566647504 /nfs/dbraw/zinc/64/75/04/566647504.db2.gz KOCVXYBKFUGASR-UHFFFAOYSA-N -1 3 397.522 3.444 20 0 GGADHM O=C(NCCOc1cccc(Br)c1)c1c[n-]nc1-c1ccccn1 ZINC000579890099 566647859 /nfs/dbraw/zinc/64/78/59/566647859.db2.gz BSTPQRMLWHEDFU-UHFFFAOYSA-N -1 3 387.237 3.043 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000487119171 566648691 /nfs/dbraw/zinc/64/86/91/566648691.db2.gz BZEBIAJYKDDZAQ-JTQLQIEISA-N -1 3 389.702 3.407 20 0 GGADHM Cc1nn(C)c(N2CCC2)c1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000629353177 566649013 /nfs/dbraw/zinc/64/90/13/566649013.db2.gz MJZGSGRNLUYGGF-UHFFFAOYSA-N -1 3 389.308 3.187 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)CN1CCCC1 ZINC000606904296 566649828 /nfs/dbraw/zinc/64/98/28/566649828.db2.gz VYSFZACCTQBEEE-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000487134799 566651296 /nfs/dbraw/zinc/65/12/96/566651296.db2.gz UNEQOKYPAMPXQM-UHFFFAOYSA-N -1 3 398.344 3.219 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000467510055 566651012 /nfs/dbraw/zinc/65/10/12/566651012.db2.gz BNOXSMYALKJTNI-TVQRCGJNSA-N -1 3 382.835 3.120 20 0 GGADHM CCSCc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000560710982 566651946 /nfs/dbraw/zinc/65/19/46/566651946.db2.gz KVPXQMKZGAYNPG-UHFFFAOYSA-N -1 3 382.482 3.239 20 0 GGADHM CCN(CCCN1CCC(c2ncc(C(=O)[O-])s2)CC1)CC(F)(F)F ZINC000629371268 566652868 /nfs/dbraw/zinc/65/28/68/566652868.db2.gz NVVFJDXOLCFZNM-UHFFFAOYSA-N -1 3 379.448 3.295 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC000540483489 566653099 /nfs/dbraw/zinc/65/30/99/566653099.db2.gz NAMUBNOODYQNPL-LLVKDONJSA-N -1 3 383.407 3.312 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3([C@H](O)C(C)C)CC3)s2)cs1 ZINC000540483754 566653333 /nfs/dbraw/zinc/65/33/33/566653333.db2.gz UAZPMHWUWHSHCK-OAHLLOKOSA-N -1 3 386.564 3.255 20 0 GGADHM Cc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1Br ZINC000487187534 566653440 /nfs/dbraw/zinc/65/34/40/566653440.db2.gz PCKXHAFQVUNLNS-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM COc1cc(CN=c2[n-]c(C(C)=O)c(C)s2)cc(Br)c1OC ZINC000450293482 566654585 /nfs/dbraw/zinc/65/45/85/566654585.db2.gz JMUFMGVSZAVSFY-UHFFFAOYSA-N -1 3 385.283 3.468 20 0 GGADHM CN(Cc1cc2c(cc1Br)OCO2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000514609104 566654684 /nfs/dbraw/zinc/65/46/84/566654684.db2.gz FEOGPMZBNUALIV-OAHLLOKOSA-N -1 3 392.249 3.306 20 0 GGADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnn2c1OCCC2 ZINC000579988341 566654890 /nfs/dbraw/zinc/65/48/90/566654890.db2.gz YHBJIJNFELFXAV-UHFFFAOYSA-N -1 3 375.841 3.014 20 0 GGADHM [O-]c1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2)cc1Br ZINC000514598755 566655326 /nfs/dbraw/zinc/65/53/26/566655326.db2.gz KKPDHKHKCPKYDR-CYBMUJFWSA-N -1 3 386.673 3.338 20 0 GGADHM CC1CCN(Cc2csc(NC(=O)c3csc(=NC4CC4)[n-]3)n2)CC1 ZINC000607052154 566655582 /nfs/dbraw/zinc/65/55/82/566655582.db2.gz FXRFZKICJIGWCR-UHFFFAOYSA-N -1 3 377.539 3.080 20 0 GGADHM O=C(NCCOc1ncc(Cl)cc1Cl)c1c[n-]c2ccccc2c1=O ZINC000675604709 566655539 /nfs/dbraw/zinc/65/55/39/566655539.db2.gz WFFAQFHGHAHDNG-UHFFFAOYSA-N -1 3 378.215 3.039 20 0 GGADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1F ZINC000579983156 566656090 /nfs/dbraw/zinc/65/60/90/566656090.db2.gz HTMQNFCEOGVIBO-UHFFFAOYSA-N -1 3 382.766 3.414 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)s1 ZINC000675637645 566656427 /nfs/dbraw/zinc/65/64/27/566656427.db2.gz UFIWZSASVYTZRP-JTQLQIEISA-N -1 3 387.552 3.004 20 0 GGADHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1ccccc1 ZINC000514618299 566656646 /nfs/dbraw/zinc/65/66/46/566656646.db2.gz SKOXPONJJZXKHM-MRXNPFEDSA-N -1 3 382.869 3.096 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000675636981 566656573 /nfs/dbraw/zinc/65/65/73/566656573.db2.gz QKVAZMFHCZFFKT-VIFPVBQESA-N -1 3 384.242 3.232 20 0 GGADHM CSc1ccc(C)c(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000540536381 566657854 /nfs/dbraw/zinc/65/78/54/566657854.db2.gz PIJCEFWNTFOXBQ-UHFFFAOYSA-N -1 3 382.482 3.163 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000607124484 566658801 /nfs/dbraw/zinc/65/88/01/566658801.db2.gz QHEWCSKHPOTYNT-WFASDCNBSA-N -1 3 382.844 3.137 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1c(Cl)cccc1Cl ZINC000580012540 566658956 /nfs/dbraw/zinc/65/89/56/566658956.db2.gz DPXXYHAANASJJK-CXAGYDPISA-N -1 3 386.300 3.438 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000514667459 566660237 /nfs/dbraw/zinc/66/02/37/566660237.db2.gz SAPBNMXFULFFEQ-UHFFFAOYSA-N -1 3 387.910 3.036 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Br ZINC000487267476 566660992 /nfs/dbraw/zinc/66/09/92/566660992.db2.gz KTHZSIMOEVLTGT-UHFFFAOYSA-N -1 3 399.266 3.217 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC[C@H]2CCOC2)c1Cl ZINC000607162152 566661387 /nfs/dbraw/zinc/66/13/87/566661387.db2.gz WBXNKMJQVUGLJJ-GFCCVEGCSA-N -1 3 382.309 3.023 20 0 GGADHM O=C([O-])CCC1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629490291 566661552 /nfs/dbraw/zinc/66/15/52/566661552.db2.gz RUPBGZAUUFDKTI-MRXNPFEDSA-N -1 3 395.297 3.279 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)c1Cl ZINC000607162153 566661837 /nfs/dbraw/zinc/66/18/37/566661837.db2.gz WBXNKMJQVUGLJJ-LBPRGKRZSA-N -1 3 382.309 3.023 20 0 GGADHM C[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1C(=O)[O-] ZINC000629495270 566662359 /nfs/dbraw/zinc/66/23/59/566662359.db2.gz IKJHVFKNBACSKA-MLGOLLRUSA-N -1 3 390.281 3.449 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1OC ZINC000560834221 566662333 /nfs/dbraw/zinc/66/23/33/566662333.db2.gz RSSWKHNICDYJHL-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Br)s2)c(F)c1 ZINC000467761918 566662387 /nfs/dbraw/zinc/66/23/87/566662387.db2.gz GPPVEHZVMVQSRA-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM C[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1C(=O)[O-] ZINC000629495268 566662451 /nfs/dbraw/zinc/66/24/51/566662451.db2.gz IKJHVFKNBACSKA-BLLLJJGKSA-N -1 3 390.281 3.449 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)s1 ZINC000467762308 566662897 /nfs/dbraw/zinc/66/28/97/566662897.db2.gz ABBLSRDEKJSFIX-UHFFFAOYSA-N -1 3 396.357 3.272 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000467765486 566663371 /nfs/dbraw/zinc/66/33/71/566663371.db2.gz BBCKGXPUEXPNHS-UHFFFAOYSA-N -1 3 389.930 3.117 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C(C)C)c1 ZINC000467768595 566664014 /nfs/dbraw/zinc/66/40/14/566664014.db2.gz HWKAOIBLAWIBNM-OAHLLOKOSA-N -1 3 389.445 3.489 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)c(F)c1 ZINC000467772347 566664305 /nfs/dbraw/zinc/66/43/05/566664305.db2.gz OGBBZDMMVBVNTI-UHFFFAOYSA-N -1 3 394.287 3.445 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](C)(CC)C2)cc1 ZINC000467774824 566665243 /nfs/dbraw/zinc/66/52/43/566665243.db2.gz XRLFGOADLNOBSI-KRWDZBQOSA-N -1 3 388.555 3.039 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)s1 ZINC000467777414 566665539 /nfs/dbraw/zinc/66/55/39/566665539.db2.gz WHMLDTNTVXVCDH-UHFFFAOYSA-N -1 3 397.419 3.472 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2F)C(C)C)s1 ZINC000467774498 566665681 /nfs/dbraw/zinc/66/56/81/566665681.db2.gz YQQGPQUDJJQKGW-HNNXBMFYSA-N -1 3 389.445 3.489 20 0 GGADHM O=S(=O)([N-]CCCc1ccc2c(c1)OCCO2)c1cc(F)ccc1Cl ZINC000467778954 566665755 /nfs/dbraw/zinc/66/57/55/566665755.db2.gz UXPNVZLOVLKADR-UHFFFAOYSA-N -1 3 385.844 3.161 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000540686451 566666108 /nfs/dbraw/zinc/66/61/08/566666108.db2.gz MIYOGPMUHVOMPD-SNVBAGLBSA-N -1 3 387.552 3.099 20 0 GGADHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000580131261 566666702 /nfs/dbraw/zinc/66/67/02/566666702.db2.gz GUWSBHQHVYBXRK-LLVKDONJSA-N -1 3 386.411 3.123 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)c2cccnc12 ZINC000514770627 566668331 /nfs/dbraw/zinc/66/83/31/566668331.db2.gz WWRVRQSNOHSTJT-UHFFFAOYSA-N -1 3 395.893 3.257 20 0 GGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000580147219 566668422 /nfs/dbraw/zinc/66/84/22/566668422.db2.gz NGVGOGPWERETOF-UHFFFAOYSA-N -1 3 392.706 3.358 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000487382042 566668978 /nfs/dbraw/zinc/66/89/78/566668978.db2.gz YNIVWJPHBJFDAR-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1nc2c(s1)CCC2 ZINC000514783030 566668997 /nfs/dbraw/zinc/66/89/97/566668997.db2.gz NGPIHZBEOWZHHS-SOZUMNATSA-N -1 3 382.551 3.008 20 0 GGADHM O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000629586798 566669548 /nfs/dbraw/zinc/66/95/48/566669548.db2.gz VVAGKZWFHFFGBC-CYBMUJFWSA-N -1 3 382.247 3.220 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(C)C ZINC000467801175 566669683 /nfs/dbraw/zinc/66/96/83/566669683.db2.gz ZEYCCXLTGBASOG-CQSZACIVSA-N -1 3 382.295 3.318 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000487403826 566669819 /nfs/dbraw/zinc/66/98/19/566669819.db2.gz SNMIVCCNEIFNCB-NSHDSACASA-N -1 3 394.674 3.362 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000467828448 566670811 /nfs/dbraw/zinc/67/08/11/566670811.db2.gz MPXVNTMBLLKOST-UHFFFAOYSA-N -1 3 379.243 3.234 20 0 GGADHM Cc1nn(-c2ccccc2Br)cc1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000653504187 566672974 /nfs/dbraw/zinc/67/29/74/566672974.db2.gz KGFUYCJVXDEUDA-OCCSQVGLSA-N -1 3 376.254 3.062 20 0 GGADHM CO[C@@H](C[C@H](NCc1ccc(Br)cc1Cl)C(=O)[O-])C1CC1 ZINC000653507626 566673200 /nfs/dbraw/zinc/67/32/00/566673200.db2.gz MQNLSKVDUBSKNV-KBPBESRZSA-N -1 3 376.678 3.460 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1oc2ccccc2c1Br ZINC000653503864 566673480 /nfs/dbraw/zinc/67/34/80/566673480.db2.gz ZEYXTACVHBQOOZ-CYBMUJFWSA-N -1 3 381.270 3.224 20 0 GGADHM CO[C@@H](C[C@@H](NCc1ccc(Cl)cc1Br)C(=O)[O-])C1CC1 ZINC000653508543 566673534 /nfs/dbraw/zinc/67/35/34/566673534.db2.gz KWFZOJUITUFHCQ-KGLIPLIRSA-N -1 3 376.678 3.460 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1CC2(CC2)C1 ZINC000514841373 566674064 /nfs/dbraw/zinc/67/40/64/566674064.db2.gz KCZGERNQCFXDNT-UHFFFAOYSA-N -1 3 376.865 3.377 20 0 GGADHM Cc1nn(-c2ccccc2Br)cc1CNC1([C@H](C)C(=O)[O-])CC1 ZINC000653504760 566674128 /nfs/dbraw/zinc/67/41/28/566674128.db2.gz IJVVGDKNOQYJGD-LLVKDONJSA-N -1 3 378.270 3.286 20 0 GGADHM Cc1nn(-c2ccccc2Br)cc1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000653504185 566674147 /nfs/dbraw/zinc/67/41/47/566674147.db2.gz KGFUYCJVXDEUDA-GXTWGEPZSA-N -1 3 376.254 3.062 20 0 GGADHM C[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1ccccc1Br ZINC000580210156 566675395 /nfs/dbraw/zinc/67/53/95/566675395.db2.gz MPKFOYHLTYYUKC-SNVBAGLBSA-N -1 3 392.253 3.019 20 0 GGADHM O=C([N-]c1nc2cc3c(cc2s1)OCCO3)c1scc2c1OCCO2 ZINC000653511572 566675335 /nfs/dbraw/zinc/67/53/35/566675335.db2.gz LCLMWYZEFSTSGQ-UHFFFAOYSA-N -1 3 376.415 3.153 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C(C)(C)O1 ZINC000540864775 566675939 /nfs/dbraw/zinc/67/59/39/566675939.db2.gz HURYXVVHEYOIES-GFCCVEGCSA-N -1 3 380.279 3.213 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(F)(F)F ZINC000425787216 566677073 /nfs/dbraw/zinc/67/70/73/566677073.db2.gz YVLYNSSKKUSIDD-LURJTMIESA-N -1 3 392.683 3.287 20 0 GGADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccco1 ZINC000607644485 566677444 /nfs/dbraw/zinc/67/74/44/566677444.db2.gz STUQCBCEEJPEOY-VIFPVBQESA-N -1 3 376.356 3.412 20 0 GGADHM CN(C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000580247960 566677732 /nfs/dbraw/zinc/67/77/32/566677732.db2.gz SGZLIVRCKGDQHW-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)CCCC(F)(F)F)CCCN1c1ccccc1Cl ZINC000540877344 566677933 /nfs/dbraw/zinc/67/79/33/566677933.db2.gz QXUFPORFRAKXGR-GFCCVEGCSA-N -1 3 398.834 3.097 20 0 GGADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccco1 ZINC000607644484 566677940 /nfs/dbraw/zinc/67/79/40/566677940.db2.gz STUQCBCEEJPEOY-SECBINFHSA-N -1 3 376.356 3.412 20 0 GGADHM CC(=O)c1[n-]c(=NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)sc1C ZINC000450509736 566679765 /nfs/dbraw/zinc/67/97/65/566679765.db2.gz LDZIAXKNVSPJIK-UHFFFAOYSA-N -1 3 392.424 3.110 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1noc(-c2cccc(F)c2)n1 ZINC000676220409 566680398 /nfs/dbraw/zinc/68/03/98/566680398.db2.gz LTNVPBBRCBLESS-UHFFFAOYSA-N -1 3 392.184 3.274 20 0 GGADHM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)c1ccc2cncn2c1 ZINC000487540493 566680457 /nfs/dbraw/zinc/68/04/57/566680457.db2.gz SCKSHKYTZUFUHF-UHFFFAOYSA-N -1 3 388.250 3.223 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)c2ccccc2)s1 ZINC000580303702 566682576 /nfs/dbraw/zinc/68/25/76/566682576.db2.gz MKGPVDOCBKONJA-LBPRGKRZSA-N -1 3 381.523 3.136 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000540941692 566683581 /nfs/dbraw/zinc/68/35/81/566683581.db2.gz JJBCHOGWFRFOQU-INIZCTEOSA-N -1 3 377.359 3.050 20 0 GGADHM O=C(c1cccc2cccc(Br)c21)N1CCc2nc[n-]c(=O)c2C1 ZINC000515006558 566684386 /nfs/dbraw/zinc/68/43/86/566684386.db2.gz NICXVSIBZJSTDR-UHFFFAOYSA-N -1 3 384.233 3.296 20 0 GGADHM C[C@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1C(=O)[O-] ZINC000629772365 566684873 /nfs/dbraw/zinc/68/48/73/566684873.db2.gz NSFPUJGWJBROTB-LRDDRELGSA-N -1 3 378.270 3.177 20 0 GGADHM C[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1C(=O)[O-] ZINC000629772367 566684961 /nfs/dbraw/zinc/68/49/61/566684961.db2.gz NSFPUJGWJBROTB-WBMJQRKESA-N -1 3 378.270 3.177 20 0 GGADHM Cc1sc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)nc1-c1ccccc1 ZINC000676309066 566685291 /nfs/dbraw/zinc/68/52/91/566685291.db2.gz ZXTYPMVFJYEEQV-AWEZNQCLSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1nc(C)c(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000607914950 566685636 /nfs/dbraw/zinc/68/56/36/566685636.db2.gz ZEVMBAHMSOTKET-UHFFFAOYSA-N -1 3 392.278 3.294 20 0 GGADHM CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000608022106 566690568 /nfs/dbraw/zinc/69/05/68/566690568.db2.gz VPVRXPFFUOCTDC-UHFFFAOYSA-N -1 3 383.311 3.490 20 0 GGADHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000676413232 566690728 /nfs/dbraw/zinc/69/07/28/566690728.db2.gz ALDQCXHGUMHOQJ-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000608019783 566690761 /nfs/dbraw/zinc/69/07/61/566690761.db2.gz XXGXKPMVOQDIHW-UHFFFAOYSA-N -1 3 399.310 3.152 20 0 GGADHM COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000561284338 566691954 /nfs/dbraw/zinc/69/19/54/566691954.db2.gz FJZKFPAVRHHWGH-YPMHNXCESA-N -1 3 387.910 3.100 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)[C@@H]2CCCO[C@H]21 ZINC000676416097 566692542 /nfs/dbraw/zinc/69/25/42/566692542.db2.gz HMVIQBNGOSVOLO-ZLKJLUDKSA-N -1 3 392.290 3.070 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)s1 ZINC000608030601 566693137 /nfs/dbraw/zinc/69/31/37/566693137.db2.gz URPRIVMTPQAMOR-VXGBXAGGSA-N -1 3 386.564 3.164 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F)c1nc(C)cs1 ZINC000608028968 566693245 /nfs/dbraw/zinc/69/32/45/566693245.db2.gz ZFXBTEDJEZIZQZ-INIZCTEOSA-N -1 3 385.486 3.153 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)s1 ZINC000608033601 566693907 /nfs/dbraw/zinc/69/39/07/566693907.db2.gz NAUMMICFZIFGFQ-ZUZCIYMTSA-N -1 3 399.563 3.140 20 0 GGADHM CCn1c(CC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nc2ccccc21 ZINC000515155851 566694074 /nfs/dbraw/zinc/69/40/74/566694074.db2.gz MIJZKHNFXFQSPW-UHFFFAOYSA-N -1 3 381.860 3.370 20 0 GGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)n1 ZINC000468275211 566694142 /nfs/dbraw/zinc/69/41/42/566694142.db2.gz WTJGGMQZLZLHOV-MRXNPFEDSA-N -1 3 384.263 3.398 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000608033031 566694414 /nfs/dbraw/zinc/69/44/14/566694414.db2.gz NBTOEVJOHYMDSH-DFKRKDTASA-N -1 3 394.320 3.484 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)[C@@H]2CCCO[C@@H]21 ZINC000608033054 566694426 /nfs/dbraw/zinc/69/44/26/566694426.db2.gz OZGJPXDANFZNHI-GDLCADMTSA-N -1 3 392.290 3.070 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)[C@@H]2CCCO[C@H]21 ZINC000608033057 566694458 /nfs/dbraw/zinc/69/44/58/566694458.db2.gz OZGJPXDANFZNHI-ZLKJLUDKSA-N -1 3 392.290 3.070 20 0 GGADHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc2S1 ZINC000515185253 566695808 /nfs/dbraw/zinc/69/58/08/566695808.db2.gz QKLOJURXZDUYIE-CYBMUJFWSA-N -1 3 396.559 3.334 20 0 GGADHM O=C(NCCCc1nccs1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000580468065 566695983 /nfs/dbraw/zinc/69/59/83/566695983.db2.gz SGNBYRNOFJOFAG-UHFFFAOYSA-N -1 3 392.278 3.110 20 0 GGADHM O[C@H]1CCC[C@@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)C1 ZINC000580482256 566696361 /nfs/dbraw/zinc/69/63/61/566696361.db2.gz LKBMBIABIWACOA-PWSUYJOCSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@H]1CCC[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)C1 ZINC000580482256 566696367 /nfs/dbraw/zinc/69/63/67/566696367.db2.gz LKBMBIABIWACOA-PWSUYJOCSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@H]1CCC[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000580482256 566696372 /nfs/dbraw/zinc/69/63/72/566696372.db2.gz LKBMBIABIWACOA-PWSUYJOCSA-N -1 3 390.241 3.303 20 0 GGADHM O=S(=O)([N-]CCNc1ccnc(C(F)(F)F)c1)c1ccc(F)cc1Cl ZINC000561345701 566698525 /nfs/dbraw/zinc/69/85/25/566698525.db2.gz GPGMURYHPSOASL-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM O=S(=O)([N-]CCNc1ncccc1Cl)c1cccc(Cl)c1Cl ZINC000561357174 566698718 /nfs/dbraw/zinc/69/87/18/566698718.db2.gz SWFOCAWUUIOPQN-UHFFFAOYSA-N -1 3 380.684 3.432 20 0 GGADHM COC(=O)c1cccc(CSc2[n-]c(=O)nc(C)c2C(=O)OC)c1Cl ZINC000450736431 566701045 /nfs/dbraw/zinc/70/10/45/566701045.db2.gz IITRVOCPVHSEQK-UHFFFAOYSA-N -1 3 382.825 3.010 20 0 GGADHM COc1cc(Br)ccc1CCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000541170341 566701072 /nfs/dbraw/zinc/70/10/72/566701072.db2.gz OFOUZPDOEDYWPE-UHFFFAOYSA-N -1 3 391.225 3.407 20 0 GGADHM COc1cc(Br)ccc1CCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000541170341 566701081 /nfs/dbraw/zinc/70/10/81/566701081.db2.gz OFOUZPDOEDYWPE-UHFFFAOYSA-N -1 3 391.225 3.407 20 0 GGADHM COc1cc(Br)ccc1CCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000541170341 566701088 /nfs/dbraw/zinc/70/10/88/566701088.db2.gz OFOUZPDOEDYWPE-UHFFFAOYSA-N -1 3 391.225 3.407 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000515240308 566701615 /nfs/dbraw/zinc/70/16/15/566701615.db2.gz AEZLFPDTAPAPPF-UHFFFAOYSA-N -1 3 384.885 3.120 20 0 GGADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1ccc(Cl)cc1Br ZINC000541212175 566703225 /nfs/dbraw/zinc/70/32/25/566703225.db2.gz NABQNULAEKVPIO-CYBMUJFWSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1ccc(Cl)cc1Br ZINC000541212176 566703328 /nfs/dbraw/zinc/70/33/28/566703328.db2.gz NABQNULAEKVPIO-ZDUSSCGKSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-]CCn1cccc1)c1cc(C(F)(F)F)ccc1Br ZINC000541209854 566703444 /nfs/dbraw/zinc/70/34/44/566703444.db2.gz VRVLMMNEHQTSHO-UHFFFAOYSA-N -1 3 397.216 3.248 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000515308298 566703942 /nfs/dbraw/zinc/70/39/42/566703942.db2.gz JEKLQARVRDJUBI-JTQLQIEISA-N -1 3 380.242 3.166 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000515308298 566703945 /nfs/dbraw/zinc/70/39/45/566703945.db2.gz JEKLQARVRDJUBI-JTQLQIEISA-N -1 3 380.242 3.166 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Br ZINC000451017110 566735623 /nfs/dbraw/zinc/73/56/23/566735623.db2.gz PGGZROARVAENSK-SSDOTTSWSA-N -1 3 376.194 3.245 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000488120384 566707830 /nfs/dbraw/zinc/70/78/30/566707830.db2.gz CLRUNDSLHDPTMX-CYBMUJFWSA-N -1 3 391.265 3.172 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000541246035 566707977 /nfs/dbraw/zinc/70/79/77/566707977.db2.gz FZSFPWMTUYVSHO-UHFFFAOYSA-N -1 3 395.750 3.113 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000561479207 566709667 /nfs/dbraw/zinc/70/96/67/566709667.db2.gz JCIULCTTYXVIQA-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000676848213 566709696 /nfs/dbraw/zinc/70/96/96/566709696.db2.gz AUOZJCSVIAXWLV-HNNXBMFYSA-N -1 3 396.242 3.425 20 0 GGADHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)cc1 ZINC000561505637 566710177 /nfs/dbraw/zinc/71/01/77/566710177.db2.gz OATZGFQGYZWRGO-JTQLQIEISA-N -1 3 385.536 3.253 20 0 GGADHM O=C(NCCc1cn2c(n1)CCCC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000426434975 566711050 /nfs/dbraw/zinc/71/10/50/566711050.db2.gz AWZAWYFNSYWFKM-UHFFFAOYSA-N -1 3 375.885 3.297 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)c(Cl)c1Cl ZINC000676850843 566711308 /nfs/dbraw/zinc/71/13/08/566711308.db2.gz KPQIWDTYLLWYSA-INIZCTEOSA-N -1 3 390.288 3.188 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cc(F)ccc1F)c1cccc(Cl)c1Cl ZINC000676849869 566711323 /nfs/dbraw/zinc/71/13/23/566711323.db2.gz YWCVMXVDSUJJAZ-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000676848970 566711350 /nfs/dbraw/zinc/71/13/50/566711350.db2.gz NRFBPPJAHKSKQS-HNNXBMFYSA-N -1 3 396.242 3.425 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000676848353 566711558 /nfs/dbraw/zinc/71/15/58/566711558.db2.gz FGYYDDQSFIIBKE-HNNXBMFYSA-N -1 3 396.242 3.425 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc3c(s2)c(Cl)ccc3C)cc1S(N)(=O)=O ZINC000561510990 566711700 /nfs/dbraw/zinc/71/17/00/566711700.db2.gz IVULTRJLVUHHRF-UHFFFAOYSA-N -1 3 385.854 3.059 20 0 GGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cn1 ZINC000515410320 566711839 /nfs/dbraw/zinc/71/18/39/566711839.db2.gz WSFQFCZZNLISSY-UHFFFAOYSA-N -1 3 390.690 3.364 20 0 GGADHM Cc1sc(Br)cc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1C ZINC000676862808 566712772 /nfs/dbraw/zinc/71/27/72/566712772.db2.gz UEKCPTVUJANCEB-LBPRGKRZSA-N -1 3 390.324 3.139 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)Cc2ccccc2Br)s1 ZINC000561519707 566713341 /nfs/dbraw/zinc/71/33/41/566713341.db2.gz VWKDZOKPKUCMLU-UHFFFAOYSA-N -1 3 375.313 3.088 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)s1 ZINC000561521412 566713758 /nfs/dbraw/zinc/71/37/58/566713758.db2.gz SPOSHOBKCPCXPP-JBCWJZNQSA-N -1 3 399.925 3.431 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000580672123 566714063 /nfs/dbraw/zinc/71/40/63/566714063.db2.gz LBBPUKNPOVYCQO-PSLIRLAXSA-N -1 3 386.242 3.389 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)s1 ZINC000561521416 566714152 /nfs/dbraw/zinc/71/41/52/566714152.db2.gz SPOSHOBKCPCXPP-ZDBHGNHJSA-N -1 3 399.925 3.431 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)s1 ZINC000541310129 566714218 /nfs/dbraw/zinc/71/42/18/566714218.db2.gz WQDLHGFCTCZYBY-GXSJLCMTSA-N -1 3 382.345 3.303 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000676886011 566714372 /nfs/dbraw/zinc/71/43/72/566714372.db2.gz YREZHNRLHYZQDR-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000608341632 566714284 /nfs/dbraw/zinc/71/42/84/566714284.db2.gz DISLYMVQKUFTOE-UHFFFAOYSA-N -1 3 399.285 3.377 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000541313192 566714860 /nfs/dbraw/zinc/71/48/60/566714860.db2.gz IAYOLLBYQJPHRJ-HNNXBMFYSA-N -1 3 381.416 3.493 20 0 GGADHM Cc1cncc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c1 ZINC000608359090 566714977 /nfs/dbraw/zinc/71/49/77/566714977.db2.gz HULVUBUDRJUVJT-UHFFFAOYSA-N -1 3 375.201 3.356 20 0 GGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000541314240 566715259 /nfs/dbraw/zinc/71/52/59/566715259.db2.gz YBMOTCLJIGMRQA-WDEREUQCSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000541314238 566715284 /nfs/dbraw/zinc/71/52/84/566715284.db2.gz YBMOTCLJIGMRQA-MNOVXSKESA-N -1 3 380.279 3.072 20 0 GGADHM Cc1cc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)ccc1[O-] ZINC000468617642 566716047 /nfs/dbraw/zinc/71/60/47/566716047.db2.gz HPYPJZOXJSFUHS-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM CC(C)=C[C@H]1[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000676945574 566717656 /nfs/dbraw/zinc/71/76/56/566717656.db2.gz FIBHAJUNXHCUCM-FZMZJTMJSA-N -1 3 390.958 3.034 20 0 GGADHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000426584758 566719231 /nfs/dbraw/zinc/71/92/31/566719231.db2.gz ANFGKTDQNGTXCF-SECBINFHSA-N -1 3 385.222 3.445 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000608480998 566720209 /nfs/dbraw/zinc/72/02/09/566720209.db2.gz VAPHUGRYHBIWHQ-UHFFFAOYSA-N -1 3 389.209 3.242 20 0 GGADHM COC(=O)c1ccc(-c2nc(Cc3cc(F)cc(Br)c3)no2)[n-]1 ZINC000426620642 566720660 /nfs/dbraw/zinc/72/06/60/566720660.db2.gz QONAFHIYUIKHCC-UHFFFAOYSA-N -1 3 380.173 3.344 20 0 GGADHM Cc1nc(C)c(-c2csc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)n2)s1 ZINC000515560282 566720727 /nfs/dbraw/zinc/72/07/27/566720727.db2.gz FRXSYLVINAMUDY-UHFFFAOYSA-N -1 3 375.479 3.177 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)c(Cl)cc1F ZINC000561560494 566721114 /nfs/dbraw/zinc/72/11/14/566721114.db2.gz FLMSCDAAKFOCOG-LLVKDONJSA-N -1 3 392.279 3.495 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000561562801 566721421 /nfs/dbraw/zinc/72/14/21/566721421.db2.gz KDHWEILUYJPIQQ-LLVKDONJSA-N -1 3 385.532 3.109 20 0 GGADHM O=C([O-])[C@H](CNCc1ccc(Br)cc1F)Oc1ccc(F)cc1 ZINC000426630799 566722464 /nfs/dbraw/zinc/72/24/64/566722464.db2.gz VUBFPWDIFHHWPF-HNNXBMFYSA-N -1 3 386.192 3.349 20 0 GGADHM O=C([O-])[C@H](CNCc1ccc(F)cc1Br)Oc1ccc(F)cc1 ZINC000426642559 566722481 /nfs/dbraw/zinc/72/24/81/566722481.db2.gz JRZZWTOWYNJJDP-HNNXBMFYSA-N -1 3 386.192 3.349 20 0 GGADHM O=C([O-])[C@H](CNCc1cc(Br)ccc1F)Oc1ccc(F)cc1 ZINC000426642569 566722521 /nfs/dbraw/zinc/72/25/21/566722521.db2.gz JTJNNLKDBAPBIV-HNNXBMFYSA-N -1 3 386.192 3.349 20 0 GGADHM COC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCCC1 ZINC000515576873 566722606 /nfs/dbraw/zinc/72/26/06/566722606.db2.gz VLZOQJGOSOTXCD-UHFFFAOYSA-N -1 3 382.233 3.298 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1cccc(-c2nnn[n-]2)c1 ZINC000541407883 566722806 /nfs/dbraw/zinc/72/28/06/566722806.db2.gz ADINTHCTSKWMLG-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1cccc(-c2nn[n-]n2)c1 ZINC000541407883 566722811 /nfs/dbraw/zinc/72/28/11/566722811.db2.gz ADINTHCTSKWMLG-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000541387126 566723262 /nfs/dbraw/zinc/72/32/62/566723262.db2.gz VWUVEVRUMQTMKZ-BDAKNGLRSA-N -1 3 387.807 3.225 20 0 GGADHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000541387129 566723438 /nfs/dbraw/zinc/72/34/38/566723438.db2.gz VWUVEVRUMQTMKZ-RKDXNWHRSA-N -1 3 387.807 3.225 20 0 GGADHM O=C([O-])COc1ccc(CCNCc2cc(Br)ccc2F)cc1 ZINC000426680657 566723626 /nfs/dbraw/zinc/72/36/26/566723626.db2.gz POMBUHXRXZBFCG-UHFFFAOYSA-N -1 3 382.229 3.384 20 0 GGADHM O=C([O-])COc1ccc(CCNCc2ccc(Br)cc2F)cc1 ZINC000426689543 566723762 /nfs/dbraw/zinc/72/37/62/566723762.db2.gz ZMWOXDCXSOKFLM-UHFFFAOYSA-N -1 3 382.229 3.384 20 0 GGADHM O=C([O-])COc1ccc(CCNCc2cc(F)ccc2Br)cc1 ZINC000426677843 566724293 /nfs/dbraw/zinc/72/42/93/566724293.db2.gz AKBNBUKYURGARI-UHFFFAOYSA-N -1 3 382.229 3.384 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C(=O)[O-])n1 ZINC000426721577 566725724 /nfs/dbraw/zinc/72/57/24/566725724.db2.gz CEQKTBGAXXREHS-AWEZNQCLSA-N -1 3 375.778 3.415 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)[O-])n1 ZINC000426735187 566725905 /nfs/dbraw/zinc/72/59/05/566725905.db2.gz DHRGWZMUNYJYOK-AWEZNQCLSA-N -1 3 375.778 3.415 20 0 GGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cnc(C)[n-]c1=O ZINC000541458516 566726178 /nfs/dbraw/zinc/72/61/78/566726178.db2.gz JXYKDLHJUXEATM-ZDUSSCGKSA-N -1 3 378.270 3.138 20 0 GGADHM Cc1c2cccc(Br)c2oc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000541461424 566726194 /nfs/dbraw/zinc/72/61/94/566726194.db2.gz SPBPVANUVLQESQ-UHFFFAOYSA-N -1 3 376.210 3.238 20 0 GGADHM Cc1ncc(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000541457283 566726285 /nfs/dbraw/zinc/72/62/85/566726285.db2.gz XGYRELJIEPJNKE-UHFFFAOYSA-N -1 3 390.159 3.202 20 0 GGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000677144184 566726952 /nfs/dbraw/zinc/72/69/52/566726952.db2.gz OJRKIKUKJIIGFM-RYUDHWBXSA-N -1 3 381.464 3.192 20 0 GGADHM COc1ccc(Br)c(CN[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426751299 566727073 /nfs/dbraw/zinc/72/70/73/566727073.db2.gz UWCMYUVHSXCONG-INIZCTEOSA-N -1 3 382.229 3.382 20 0 GGADHM COc1cc(Br)ccc1CN[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000426747310 566727211 /nfs/dbraw/zinc/72/72/11/566727211.db2.gz OHLQDDQRBFYZLX-OAHLLOKOSA-N -1 3 382.229 3.382 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCOC(C)(C)C1 ZINC000677153186 566727501 /nfs/dbraw/zinc/72/75/01/566727501.db2.gz UQOIPSGXNVYPCN-GFCCVEGCSA-N -1 3 392.315 3.084 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(C)cs2)N2CCCC2)c1 ZINC000450983801 566728313 /nfs/dbraw/zinc/72/83/13/566728313.db2.gz AVSJOXONTNVYIM-QGZVFWFLSA-N -1 3 380.535 3.181 20 0 GGADHM Cc1ccc([O-])c(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)n1 ZINC000541515064 566728543 /nfs/dbraw/zinc/72/85/43/566728543.db2.gz RTRLFYWODAAMEU-HSZRJFAPSA-N -1 3 397.294 3.385 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000450983634 566728517 /nfs/dbraw/zinc/72/85/17/566728517.db2.gz RSTFBIYSTODIOQ-HUUCEWRRSA-N -1 3 376.469 3.161 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000450979675 566728889 /nfs/dbraw/zinc/72/88/89/566728889.db2.gz AYKNMPYFPVLGAP-MRXNPFEDSA-N -1 3 386.876 3.329 20 0 GGADHM CC(C)(C)c1cnc(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2Cl)[n-]1 ZINC000630436793 566729272 /nfs/dbraw/zinc/72/92/72/566729272.db2.gz RSHCGSCXYYWJGX-UHFFFAOYSA-N -1 3 390.292 3.426 20 0 GGADHM CC(C)(C)c1c[n-]c(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000630436793 566729279 /nfs/dbraw/zinc/72/92/79/566729279.db2.gz RSHCGSCXYYWJGX-UHFFFAOYSA-N -1 3 390.292 3.426 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000450983635 566729548 /nfs/dbraw/zinc/72/95/48/566729548.db2.gz RSTFBIYSTODIOQ-LSDHHAIUSA-N -1 3 376.469 3.161 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](Cc1ccccc1)C(C)C ZINC000468784806 566730016 /nfs/dbraw/zinc/73/00/16/566730016.db2.gz BUKAGLGZBSHZKR-HNNXBMFYSA-N -1 3 381.519 3.328 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCCCC1 ZINC000515742585 566730230 /nfs/dbraw/zinc/73/02/30/566730230.db2.gz JGXISBWCUHQIEO-UHFFFAOYSA-N -1 3 380.293 3.456 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)s1 ZINC000515753141 566730306 /nfs/dbraw/zinc/73/03/06/566730306.db2.gz WWMUYMHZRYOSBP-UHFFFAOYSA-N -1 3 381.500 3.270 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc(Br)c1O ZINC000426808195 566730283 /nfs/dbraw/zinc/73/02/83/566730283.db2.gz QJVBOYZDKUDZOA-AWEZNQCLSA-N -1 3 384.201 3.218 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2cc(Cl)cc(Cl)c2F)on1 ZINC000630448620 566730775 /nfs/dbraw/zinc/73/07/75/566730775.db2.gz KTGNXEUAZUPDPA-QMMMGPOBSA-N -1 3 395.239 3.371 20 0 GGADHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3sccc3F)c2)CC1 ZINC000450986236 566730898 /nfs/dbraw/zinc/73/08/98/566730898.db2.gz NOCHOIGCPPGBMW-UHFFFAOYSA-N -1 3 383.514 3.218 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)N1CCCC1 ZINC000450990588 566731336 /nfs/dbraw/zinc/73/13/36/566731336.db2.gz UNQKPJUNAJHOLC-INIZCTEOSA-N -1 3 380.535 3.181 20 0 GGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426791911 566731589 /nfs/dbraw/zinc/73/15/89/566731589.db2.gz HBLIZWBUVWLSLM-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426802453 566731735 /nfs/dbraw/zinc/73/17/35/566731735.db2.gz WIVZSFZWIWWHJF-KRWDZBQOSA-N -1 3 394.265 3.390 20 0 GGADHM O=S(=O)(CCCCF)[N-]c1cc(Br)ccc1-n1cccn1 ZINC000451003327 566731878 /nfs/dbraw/zinc/73/18/78/566731878.db2.gz FFASTELIAMDCFK-UHFFFAOYSA-N -1 3 376.251 3.126 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cccc(Br)c2F)n1 ZINC000541535981 566731963 /nfs/dbraw/zinc/73/19/63/566731963.db2.gz ZRDZXWRQNGVCJU-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)s1 ZINC000677238842 566732344 /nfs/dbraw/zinc/73/23/44/566732344.db2.gz FUFCEIBYQAIEAO-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cncc(Cl)c1 ZINC000677239792 566732527 /nfs/dbraw/zinc/73/25/27/566732527.db2.gz YJJBRHHWQLWKJM-LBPRGKRZSA-N -1 3 386.304 3.193 20 0 GGADHM Cc1ccc(C[C@@H](CNCc2ncc(Br)cc2F)C(=O)[O-])cc1 ZINC000630452010 566732635 /nfs/dbraw/zinc/73/26/35/566732635.db2.gz OYNRKXRYLPGYCR-ZDUSSCGKSA-N -1 3 381.245 3.325 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cccc(Br)c1Cl ZINC000630453618 566732722 /nfs/dbraw/zinc/73/27/22/566732722.db2.gz AUBLQILMJKUSDD-ZDUSSCGKSA-N -1 3 375.694 3.131 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000580907977 566732673 /nfs/dbraw/zinc/73/26/73/566732673.db2.gz XGBPGKVLWZINBR-LBPRGKRZSA-N -1 3 390.933 3.153 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000450996439 566732899 /nfs/dbraw/zinc/73/28/99/566732899.db2.gz HDXBTNATWCDQSV-UHFFFAOYSA-N -1 3 378.519 3.161 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468815765 566733058 /nfs/dbraw/zinc/73/30/58/566733058.db2.gz DASCSOSZHFJAKR-HOCLYGCPSA-N -1 3 391.530 3.194 20 0 GGADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1 ZINC000450995326 566733179 /nfs/dbraw/zinc/73/31/79/566733179.db2.gz FIVWVLAZGHAWNX-HNNXBMFYSA-N -1 3 378.416 3.290 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc(Br)c1O ZINC000426825752 566733354 /nfs/dbraw/zinc/73/33/54/566733354.db2.gz MWCFCXQKZRZICW-AWEZNQCLSA-N -1 3 384.201 3.218 20 0 GGADHM COCC[C@H](NCc1cc(Br)c(C)cc1Br)C(=O)[O-] ZINC000630457738 566733389 /nfs/dbraw/zinc/73/33/89/566733389.db2.gz FQZYRKMRGZBENA-LBPRGKRZSA-N -1 3 395.091 3.099 20 0 GGADHM O=C([O-])[C@H](CCNCc1ncc(Br)cc1F)Cc1ccccc1 ZINC000630451261 566733461 /nfs/dbraw/zinc/73/34/61/566733461.db2.gz JHEUSQBKXRVHHE-CYBMUJFWSA-N -1 3 381.245 3.406 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccc(Br)cc2)s1 ZINC000677239070 566733471 /nfs/dbraw/zinc/73/34/71/566733471.db2.gz NRNBZUQMTJPGQE-UHFFFAOYSA-N -1 3 375.313 3.428 20 0 GGADHM COCCC1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000541556039 566733634 /nfs/dbraw/zinc/73/36/34/566733634.db2.gz NBUWVCKNGHHWJO-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM Cc1ccc(C[C@@H](CNCc2cc(C)c(Br)cn2)C(=O)[O-])cc1 ZINC000630450930 566733660 /nfs/dbraw/zinc/73/36/60/566733660.db2.gz GPZKVAHHMNPTPS-HNNXBMFYSA-N -1 3 377.282 3.494 20 0 GGADHM Cc1cccc(C[C@H](CNCc2cc(C)c(Br)cn2)C(=O)[O-])c1 ZINC000630452776 566733684 /nfs/dbraw/zinc/73/36/84/566733684.db2.gz NZXCBSSFBPRDCY-OAHLLOKOSA-N -1 3 377.282 3.494 20 0 GGADHM COc1ccc(Br)cc1[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000515801043 566734050 /nfs/dbraw/zinc/73/40/50/566734050.db2.gz CIEBWKVCQUURBV-JOCHJYFZSA-N -1 3 383.267 3.139 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(Cl)c2)c1 ZINC000608760239 566734220 /nfs/dbraw/zinc/73/42/20/566734220.db2.gz YFQJNLITMCMEDU-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2Br)s1 ZINC000677240874 566734392 /nfs/dbraw/zinc/73/43/92/566734392.db2.gz JDHJVYJPTQTWMJ-SECBINFHSA-N -1 3 375.313 3.124 20 0 GGADHM COc1cccc(C[C@H](CNCc2cc(C)c(Br)cn2)C(=O)[O-])c1 ZINC000630462874 566734740 /nfs/dbraw/zinc/73/47/40/566734740.db2.gz YUQMMLRQLSTMTL-CQSZACIVSA-N -1 3 393.281 3.194 20 0 GGADHM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCN(c2ccncc2)CC1 ZINC000608758618 566734879 /nfs/dbraw/zinc/73/48/79/566734879.db2.gz HGQXWILPGSVTOY-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000677241028 566735027 /nfs/dbraw/zinc/73/50/27/566735027.db2.gz QZSOHHRMQDVWNA-CRAIPNDOSA-N -1 3 380.897 3.490 20 0 GGADHM CO[C@H](C[C@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-])C1CC1 ZINC000630461791 566735017 /nfs/dbraw/zinc/73/50/17/566735017.db2.gz FGUGDHOQNNEGKO-NWDGAFQWSA-N -1 3 378.213 3.085 20 0 GGADHM Cc1ccc(C[C@H](NCc2ncc(Br)cc2F)C(=O)[O-])cc1C ZINC000630461899 566735294 /nfs/dbraw/zinc/73/52/94/566735294.db2.gz KIVMQQLWSIVGIJ-HNNXBMFYSA-N -1 3 381.245 3.386 20 0 GGADHM COC1(C[C@@H](NCc2ccc(Br)c(F)c2F)C(=O)[O-])CCC1 ZINC000630463159 566735431 /nfs/dbraw/zinc/73/54/31/566735431.db2.gz ZEXCZNBCEQATBD-LLVKDONJSA-N -1 3 378.213 3.229 20 0 GGADHM O=C([O-])CCC1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000515856461 566735450 /nfs/dbraw/zinc/73/54/50/566735450.db2.gz ULTDZINGUMFEMV-ZDUSSCGKSA-N -1 3 376.280 3.310 20 0 GGADHM CCC(C)(C)N1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000654496178 566736711 /nfs/dbraw/zinc/73/67/11/566736711.db2.gz LYJXDNXXUOQRAL-UHFFFAOYSA-N -1 3 384.318 3.171 20 0 GGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000451022016 566737280 /nfs/dbraw/zinc/73/72/80/566737280.db2.gz GJLCPVUISGTNSP-AEFFLSMTSA-N -1 3 384.234 3.497 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cc1 ZINC000561769214 566737221 /nfs/dbraw/zinc/73/72/21/566737221.db2.gz LQHJQYCNGIFVPC-UHFFFAOYSA-N -1 3 387.816 3.222 20 0 GGADHM O=S(=O)(Cc1cc(Cl)ccc1Br)[N-]CC1(O)CCCCC1 ZINC000580949738 566737529 /nfs/dbraw/zinc/73/75/29/566737529.db2.gz XTLMSPVAFCQFAQ-UHFFFAOYSA-N -1 3 396.734 3.217 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000451032958 566739009 /nfs/dbraw/zinc/73/90/09/566739009.db2.gz RLTDNVWTYHHLKH-BXKDBHETSA-N -1 3 387.445 3.229 20 0 GGADHM COc1cnc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(Br)c1 ZINC000561770561 566739090 /nfs/dbraw/zinc/73/90/90/566739090.db2.gz OXINDHYDMDBYCO-UHFFFAOYSA-N -1 3 393.209 3.073 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC000580974232 566739240 /nfs/dbraw/zinc/73/92/40/566739240.db2.gz FUFDWWSCXYTJHS-BDJLRTHQSA-N -1 3 382.279 3.391 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cc(F)ccc1Br ZINC000580967740 566739307 /nfs/dbraw/zinc/73/93/07/566739307.db2.gz APCUAWLWFKPTNU-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000451032961 566739303 /nfs/dbraw/zinc/73/93/03/566739303.db2.gz RLTDNVWTYHHLKH-SKDRFNHKSA-N -1 3 387.445 3.229 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000488677498 566739832 /nfs/dbraw/zinc/73/98/32/566739832.db2.gz RXUUSTPNBLABHF-UHFFFAOYSA-N -1 3 391.196 3.478 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OCC1CCC1 ZINC000468882280 566740100 /nfs/dbraw/zinc/74/01/00/566740100.db2.gz GJCUXCLBQXFQSQ-OAHLLOKOSA-N -1 3 384.929 3.034 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cncn1-c1ccc(F)cc1 ZINC000488671149 566740145 /nfs/dbraw/zinc/74/01/45/566740145.db2.gz HMXNZGHRIMAQGM-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCCc2ccc(I)s2)c1 ZINC000608873060 566740342 /nfs/dbraw/zinc/74/03/42/566740342.db2.gz OSIULCIFJCXPGO-UHFFFAOYSA-N -1 3 387.242 3.339 20 0 GGADHM O=C(Cc1cccc(N2CCCC2=O)c1)Nc1cc(Br)ccc1[O-] ZINC000426955516 566740427 /nfs/dbraw/zinc/74/04/27/566740427.db2.gz RAAIIDHFMXMXFD-UHFFFAOYSA-N -1 3 389.249 3.463 20 0 GGADHM Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)s1 ZINC000630551606 566741556 /nfs/dbraw/zinc/74/15/56/566741556.db2.gz XGKARQRHYHYUOP-UHFFFAOYSA-N -1 3 392.424 3.458 20 0 GGADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)c1 ZINC000488701666 566741791 /nfs/dbraw/zinc/74/17/91/566741791.db2.gz YSGAWRIGLGVXSX-CYBMUJFWSA-N -1 3 384.860 3.045 20 0 GGADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)cc(OC)c1OC ZINC000488684275 566741806 /nfs/dbraw/zinc/74/18/06/566741806.db2.gz IQSBLAFTCKXQDZ-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM CN(C)CCn1nccc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000451049262 566742248 /nfs/dbraw/zinc/74/22/48/566742248.db2.gz YWKMWPCQRYUNMF-UHFFFAOYSA-N -1 3 384.914 3.114 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1cc(Cl)ccc1OCC1CCC1 ZINC000468912352 566743200 /nfs/dbraw/zinc/74/32/00/566743200.db2.gz HJOOQHVMXDZXOL-UHFFFAOYSA-N -1 3 380.897 3.435 20 0 GGADHM COc1cccc(COCCNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000488729471 566744202 /nfs/dbraw/zinc/74/42/02/566744202.db2.gz TYRIGJWXFZFHJR-UHFFFAOYSA-N -1 3 394.265 3.039 20 0 GGADHM C[C@@H](C1CC1)N(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000630641635 566744338 /nfs/dbraw/zinc/74/43/38/566744338.db2.gz XJQUDPCMFCLZFV-NSHDSACASA-N -1 3 384.548 3.159 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000541736338 566745023 /nfs/dbraw/zinc/74/50/23/566745023.db2.gz RPAOHALURDOPRC-UONOGXRCSA-N -1 3 378.519 3.345 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000516089358 566745325 /nfs/dbraw/zinc/74/53/25/566745325.db2.gz QZVPINCRVQSYAP-UHFFFAOYSA-N -1 3 378.263 3.065 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)c1Cl ZINC000677423053 566745250 /nfs/dbraw/zinc/74/52/50/566745250.db2.gz DGTQIRHQGOMUTK-QMMMGPOBSA-N -1 3 380.215 3.202 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N2CCCC2)o1 ZINC000488764538 566745596 /nfs/dbraw/zinc/74/55/96/566745596.db2.gz RXQYNPNBKKFJRA-OAHLLOKOSA-N -1 3 386.876 3.496 20 0 GGADHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000488756783 566745983 /nfs/dbraw/zinc/74/59/83/566745983.db2.gz CYNPVXHETCQJLT-UHFFFAOYSA-N -1 3 383.311 3.409 20 0 GGADHM COc1cc(Br)ccc1CCCS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427084343 566746057 /nfs/dbraw/zinc/74/60/57/566746057.db2.gz JXGKHEUGYSPVFU-UHFFFAOYSA-N -1 3 399.310 3.076 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cs1 ZINC000488759730 566746411 /nfs/dbraw/zinc/74/64/11/566746411.db2.gz LBIRBWSTOWQLBJ-UHFFFAOYSA-N -1 3 382.404 3.384 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCC(C)CC1 ZINC000488760698 566746437 /nfs/dbraw/zinc/74/64/37/566746437.db2.gz NPGAGFAOERKVRL-LBPRGKRZSA-N -1 3 382.423 3.243 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1ccon1 ZINC000561883306 566746695 /nfs/dbraw/zinc/74/66/95/566746695.db2.gz SNRXBQAUIKSCGK-ZETCQYMHSA-N -1 3 399.188 3.495 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1OCC1CCC1 ZINC000468959385 566747006 /nfs/dbraw/zinc/74/70/06/566747006.db2.gz MFOSKCWIKAZMHS-GOEBONIOSA-N -1 3 387.929 3.348 20 0 GGADHM O=C1CCCN1C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000451062693 566747567 /nfs/dbraw/zinc/74/75/67/566747567.db2.gz KHEWCQBTCDLYIR-CQSZACIVSA-N -1 3 384.910 3.044 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccccc2C1)c1cc(C(F)(F)F)ccc1F ZINC000488791148 566748125 /nfs/dbraw/zinc/74/81/25/566748125.db2.gz BJGSFMNGJWGONU-LBPRGKRZSA-N -1 3 375.343 3.127 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c(C)c1F ZINC000451069933 566748385 /nfs/dbraw/zinc/74/83/85/566748385.db2.gz WBBCUHLETFXGCL-LBPRGKRZSA-N -1 3 398.403 3.490 20 0 GGADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1Br ZINC000451070721 566748524 /nfs/dbraw/zinc/74/85/24/566748524.db2.gz JKQOMEYXXQJFKY-QMMMGPOBSA-N -1 3 399.257 3.038 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)C(F)(F)F)n1 ZINC000451070253 566748563 /nfs/dbraw/zinc/74/85/63/566748563.db2.gz XLYSYMSTPNZVGX-ZDUSSCGKSA-N -1 3 393.456 3.095 20 0 GGADHM O=C(CC1CCCC1)NCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427120507 566748493 /nfs/dbraw/zinc/74/84/93/566748493.db2.gz SGCOZOOAJAGXKN-UHFFFAOYSA-N -1 3 380.901 3.218 20 0 GGADHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cn(CC2CC2)nn1 ZINC000516147901 566748700 /nfs/dbraw/zinc/74/87/00/566748700.db2.gz ONXUSYMVTDVDRM-UHFFFAOYSA-N -1 3 378.223 3.032 20 0 GGADHM CCCCNC(=O)C1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC000488799201 566749159 /nfs/dbraw/zinc/74/91/59/566749159.db2.gz WIXRZVVJBYKMHQ-UHFFFAOYSA-N -1 3 390.908 3.377 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000516173496 566750035 /nfs/dbraw/zinc/75/00/35/566750035.db2.gz PHAXLUNBVVSAKK-AXFHLTTASA-N -1 3 386.876 3.295 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1)C(F)F ZINC000451078333 566750272 /nfs/dbraw/zinc/75/02/72/566750272.db2.gz DPHJXHMMWBPMEI-NSHDSACASA-N -1 3 392.251 3.341 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000427137926 566750494 /nfs/dbraw/zinc/75/04/94/566750494.db2.gz VFIBCBASASGPRH-UHFFFAOYSA-N -1 3 392.131 3.230 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3nc(C)sc3c2)CCCCC1 ZINC000427138592 566750528 /nfs/dbraw/zinc/75/05/28/566750528.db2.gz ZAABLOLQCYIOSR-UHFFFAOYSA-N -1 3 382.507 3.470 20 0 GGADHM COC(=O)c1cccc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c1Br ZINC000427153318 566751418 /nfs/dbraw/zinc/75/14/18/566751418.db2.gz BNDFIRAVIWASJM-NSHDSACASA-N -1 3 395.209 3.328 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000427153483 566751520 /nfs/dbraw/zinc/75/15/20/566751520.db2.gz RLOLHSLKRYPQRC-QMMMGPOBSA-N -1 3 384.255 3.078 20 0 GGADHM CC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC000561963015 566751734 /nfs/dbraw/zinc/75/17/34/566751734.db2.gz JXPDCJCNVZOPNF-UHFFFAOYSA-N -1 3 381.215 3.270 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1cc(F)ccc1Cl ZINC000488849540 566751825 /nfs/dbraw/zinc/75/18/25/566751825.db2.gz DONCZUGQEDRVHW-UHFFFAOYSA-N -1 3 392.949 3.119 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1F ZINC000488855820 566752122 /nfs/dbraw/zinc/75/21/22/566752122.db2.gz QDRWHFXYXACBLX-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1)c1cc(Br)cc2c1OCC2 ZINC000541820326 566752124 /nfs/dbraw/zinc/75/21/24/566752124.db2.gz BZHDZNGQLXNMRR-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM CC1(C)CCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000427158496 566752121 /nfs/dbraw/zinc/75/21/21/566752121.db2.gz VLEWVFFPTDPUBV-CYBMUJFWSA-N -1 3 393.336 3.357 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cc(F)ccc1Cl ZINC000488850503 566752307 /nfs/dbraw/zinc/75/23/07/566752307.db2.gz GIDXBBWOZMPYOE-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1C ZINC000451087396 566752352 /nfs/dbraw/zinc/75/23/52/566752352.db2.gz WPDHJWAIRZFWSL-UHFFFAOYSA-N -1 3 387.910 3.470 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000488854887 566752459 /nfs/dbraw/zinc/75/24/59/566752459.db2.gz PDJFZJCPSUGHFQ-RYUDHWBXSA-N -1 3 382.423 3.386 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000488854884 566752589 /nfs/dbraw/zinc/75/25/89/566752589.db2.gz PDJFZJCPSUGHFQ-NWDGAFQWSA-N -1 3 382.423 3.386 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)cc2)CC1)c1sccc1Cl ZINC000451088516 566752664 /nfs/dbraw/zinc/75/26/64/566752664.db2.gz PVAXZGQVQBPORR-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCCC[C@@H]1C ZINC000488850993 566752785 /nfs/dbraw/zinc/75/27/85/566752785.db2.gz HKLADIHTXQRFQE-NWDGAFQWSA-N -1 3 382.423 3.386 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](C)C1 ZINC000488853214 566752950 /nfs/dbraw/zinc/75/29/50/566752950.db2.gz LSQFWOWGRBOJFI-VXGBXAGGSA-N -1 3 382.423 3.243 20 0 GGADHM COc1cc(C(=O)[N-]c2cc(C(N)=O)sc2C)sc1Br ZINC000677566840 566753330 /nfs/dbraw/zinc/75/33/30/566753330.db2.gz MLUJCIRNDDQXRC-UHFFFAOYSA-N -1 3 375.269 3.240 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000609197013 566753704 /nfs/dbraw/zinc/75/37/04/566753704.db2.gz ZGYFJRYXYNREJX-MRXNPFEDSA-N -1 3 383.466 3.494 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654801801 566754726 /nfs/dbraw/zinc/75/47/26/566754726.db2.gz WJAFJNBWYHDTAU-UHFFFAOYSA-N -1 3 394.244 3.324 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000677591396 566754720 /nfs/dbraw/zinc/75/47/20/566754720.db2.gz QUTHYZNLGMDCNC-UHFFFAOYSA-N -1 3 389.205 3.060 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ncc(Br)cn1 ZINC000516234397 566755013 /nfs/dbraw/zinc/75/50/13/566755013.db2.gz ZBNAQUBEOVSJGZ-VIFPVBQESA-N -1 3 382.239 3.025 20 0 GGADHM Cc1cc(C(F)(F)F)n2nc(C(=O)[N-]c3nnc(C(F)F)s3)cc2n1 ZINC000630828147 566754981 /nfs/dbraw/zinc/75/49/81/566754981.db2.gz WEKWSJJIGXIKMN-UHFFFAOYSA-N -1 3 378.286 3.098 20 0 GGADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)c1 ZINC000451094345 566755254 /nfs/dbraw/zinc/75/52/54/566755254.db2.gz PLOOWLZOHSUIPW-UHFFFAOYSA-N -1 3 375.874 3.214 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(C)c2ccccc2n1 ZINC000581167228 566755288 /nfs/dbraw/zinc/75/52/88/566755288.db2.gz BEKSLSVLMJZFJW-UHFFFAOYSA-N -1 3 377.853 3.079 20 0 GGADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1cccnc1C(=O)OC)c1cccs1 ZINC000451096273 566755597 /nfs/dbraw/zinc/75/55/97/566755597.db2.gz MFJKUHALSQEHEN-OAHLLOKOSA-N -1 3 382.507 3.386 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccs1 ZINC000562009961 566756081 /nfs/dbraw/zinc/75/60/81/566756081.db2.gz VHUUAHSHPIKTOW-LBPRGKRZSA-N -1 3 394.312 3.142 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)c1Cl ZINC000677661445 566757484 /nfs/dbraw/zinc/75/74/84/566757484.db2.gz JIJLCGMONQVTLO-LLVKDONJSA-N -1 3 380.215 3.202 20 0 GGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000609314966 566757685 /nfs/dbraw/zinc/75/76/85/566757685.db2.gz KLXDDNLUWYHTJE-UHFFFAOYSA-N -1 3 396.292 3.012 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccc1F ZINC000488941895 566758625 /nfs/dbraw/zinc/75/86/25/566758625.db2.gz KSDCSHBRFZZFDW-UHFFFAOYSA-N -1 3 377.315 3.052 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N(C)C ZINC000488943002 566759023 /nfs/dbraw/zinc/75/90/23/566759023.db2.gz MTNGQJRPMQOOGJ-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1nc2ccccc2cc1Br ZINC000581218959 566759131 /nfs/dbraw/zinc/75/91/31/566759131.db2.gz SNEKWELTKOQRMR-CQSZACIVSA-N -1 3 387.237 3.246 20 0 GGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000609320312 566759311 /nfs/dbraw/zinc/75/93/11/566759311.db2.gz WUOZDFADZXNWNS-UHFFFAOYSA-N -1 3 380.293 3.312 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1cccc(Cl)c1 ZINC000427240527 566759478 /nfs/dbraw/zinc/75/94/78/566759478.db2.gz ATWHAPOAGJJNQH-NSHDSACASA-N -1 3 391.301 3.139 20 0 GGADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1cc(F)ccc1Cl ZINC000488952187 566759917 /nfs/dbraw/zinc/75/99/17/566759917.db2.gz ZHLBCKODNFSXDZ-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCN1c1cccc(Cl)c1 ZINC000427252830 566760852 /nfs/dbraw/zinc/76/08/52/566760852.db2.gz YROLXZMXIXIUDI-MRXNPFEDSA-N -1 3 399.299 3.218 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000427255061 566761276 /nfs/dbraw/zinc/76/12/76/566761276.db2.gz DHXPYEHNONFYHL-NWDGAFQWSA-N -1 3 379.345 3.187 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2[N-]S(=O)(=O)CCCCF)CC1 ZINC000451117229 566761561 /nfs/dbraw/zinc/76/15/61/566761561.db2.gz UCCLTWPPOAEWCI-UHFFFAOYSA-N -1 3 378.897 3.304 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000562070390 566762501 /nfs/dbraw/zinc/76/25/01/566762501.db2.gz LZMNTGHKJAREKO-AWEZNQCLSA-N -1 3 375.416 3.164 20 0 GGADHM CCCn1cc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)cn1 ZINC000541956120 566762898 /nfs/dbraw/zinc/76/28/98/566762898.db2.gz QAWZMFRRSFLWNB-UHFFFAOYSA-N -1 3 392.232 3.259 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2c(Cl)cc(F)cc2Cl)s1 ZINC000581274784 566763723 /nfs/dbraw/zinc/76/37/23/566763723.db2.gz KSFPDDUOGDHURM-UHFFFAOYSA-N -1 3 384.241 3.348 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)c(Cl)c1 ZINC000451136603 566763943 /nfs/dbraw/zinc/76/39/43/566763943.db2.gz GAZHOGRPMONKIC-LBPRGKRZSA-N -1 3 394.871 3.332 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000451131762 566764713 /nfs/dbraw/zinc/76/47/13/566764713.db2.gz SVOJBZOXUPARHF-GJZGRUSLSA-N -1 3 378.485 3.407 20 0 GGADHM Cc1ccoc1C(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000609488717 566766490 /nfs/dbraw/zinc/76/64/90/566766490.db2.gz OOTMUXLKOYCAQO-UHFFFAOYSA-N -1 3 393.184 3.257 20 0 GGADHM O=C(N=c1cc(-c2ccc(I)cc2)[n-][nH]1)C1CCCC1 ZINC000609488757 566766663 /nfs/dbraw/zinc/76/66/63/566766663.db2.gz ZRZYGLMEZRKJQT-UHFFFAOYSA-N -1 3 381.217 3.232 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000581321204 566767476 /nfs/dbraw/zinc/76/74/76/566767476.db2.gz AWTFOAMXJNCLTK-VIFPVBQESA-N -1 3 398.294 3.079 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000581321203 566767559 /nfs/dbraw/zinc/76/75/59/566767559.db2.gz AWTFOAMXJNCLTK-SECBINFHSA-N -1 3 398.294 3.079 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(CCc2ccccc2)C1)c1sccc1Cl ZINC000451168971 566769248 /nfs/dbraw/zinc/76/92/48/566769248.db2.gz YNPXLRDKCQDUQO-OAHLLOKOSA-N -1 3 384.954 3.244 20 0 GGADHM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469194311 566770725 /nfs/dbraw/zinc/77/07/25/566770725.db2.gz JMUBBPZDAYHSSB-MSOLQXFVSA-N -1 3 387.929 3.348 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1Cl ZINC000516592460 566770912 /nfs/dbraw/zinc/77/09/12/566770912.db2.gz WIVGNQKSHUAUGM-LLVKDONJSA-N -1 3 390.288 3.056 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000469213856 566771800 /nfs/dbraw/zinc/77/18/00/566771800.db2.gz NKFMREQIUXCCNS-MLGOLLRUSA-N -1 3 393.958 3.318 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000516607078 566772273 /nfs/dbraw/zinc/77/22/73/566772273.db2.gz WRNMSJWYMHPFDS-CYBMUJFWSA-N -1 3 393.212 3.285 20 0 GGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000562239885 566772939 /nfs/dbraw/zinc/77/29/39/566772939.db2.gz YZOPFOLQWFITJO-UHFFFAOYSA-N -1 3 382.438 3.069 20 0 GGADHM O=C(NC[C@H](CO)Cc1ccccc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427461529 566774216 /nfs/dbraw/zinc/77/42/16/566774216.db2.gz ASNKDIIGHQSDFN-CYBMUJFWSA-N -1 3 375.881 3.373 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000562266223 566774897 /nfs/dbraw/zinc/77/48/97/566774897.db2.gz LWRIZZBVIRDUHW-QHCPKHFHSA-N -1 3 393.864 3.439 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cs1 ZINC000427481802 566775392 /nfs/dbraw/zinc/77/53/92/566775392.db2.gz SPLSJYNJXIOJHF-LBPRGKRZSA-N -1 3 376.551 3.352 20 0 GGADHM Cc1oc(C(=O)[N-]c2ncc(-c3ccc(Cl)cc3)s2)cc1S(N)(=O)=O ZINC000427496933 566775507 /nfs/dbraw/zinc/77/55/07/566775507.db2.gz JTDRPLLYOBCVND-UHFFFAOYSA-N -1 3 397.865 3.265 20 0 GGADHM CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000562283646 566776730 /nfs/dbraw/zinc/77/67/30/566776730.db2.gz FCORTDOFNMGYAR-UHFFFAOYSA-N -1 3 393.241 3.182 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCC1)c1cccc(OC(F)(F)F)c1F ZINC000489261626 566777439 /nfs/dbraw/zinc/77/74/39/566777439.db2.gz HUAVOIVBNVLHCH-UHFFFAOYSA-N -1 3 385.379 3.352 20 0 GGADHM CO[C@H](C)CN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000516672314 566777661 /nfs/dbraw/zinc/77/76/61/566777661.db2.gz LWYJGLMNFIELQS-MRVPVSSYSA-N -1 3 387.661 3.051 20 0 GGADHM CO[C@H](C)CN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000516672314 566777666 /nfs/dbraw/zinc/77/76/66/566777666.db2.gz LWYJGLMNFIELQS-MRVPVSSYSA-N -1 3 387.661 3.051 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)s1 ZINC000678040379 566777850 /nfs/dbraw/zinc/77/78/50/566777850.db2.gz GHHYCSXOCZDPIT-VHSXEESVSA-N -1 3 388.461 3.263 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCc2cc(Br)cc(F)c2C1 ZINC000562296455 566778761 /nfs/dbraw/zinc/77/87/61/566778761.db2.gz ODAVYYNPCYJLAN-UHFFFAOYSA-N -1 3 389.228 3.248 20 0 GGADHM C[C@@H](c1ccccc1)N(C(=O)CC[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000581446098 566779047 /nfs/dbraw/zinc/77/90/47/566779047.db2.gz DPXWYRPHIGAFDX-AWEZNQCLSA-N -1 3 378.519 3.169 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCCSC ZINC000469286243 566779322 /nfs/dbraw/zinc/77/93/22/566779322.db2.gz XXUOJOLLNZZOKD-GFCCVEGCSA-N -1 3 381.947 3.175 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000678073715 566779461 /nfs/dbraw/zinc/77/94/61/566779461.db2.gz DZZNEVXAZNSERO-VDISTLRHSA-N -1 3 386.926 3.293 20 0 GGADHM C/C(=C/c1ccccc1)CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000427571045 566780071 /nfs/dbraw/zinc/78/00/71/566780071.db2.gz BUHLZWAVHAYNSZ-RAXLEYEMSA-N -1 3 398.937 3.242 20 0 GGADHM COc1ccccc1C(=O)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427560848 566780258 /nfs/dbraw/zinc/78/02/58/566780258.db2.gz WRBBIKDYWNPSFR-UHFFFAOYSA-N -1 3 375.837 3.413 20 0 GGADHM O=C(c1csc(=O)[n-]1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000562303990 566780287 /nfs/dbraw/zinc/78/02/87/566780287.db2.gz MHLPRRAQBCHMRS-UHFFFAOYSA-N -1 3 397.294 3.433 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCC(C)C ZINC000469300721 566780329 /nfs/dbraw/zinc/78/03/29/566780329.db2.gz COTMBGHPWYZRHN-CYBMUJFWSA-N -1 3 395.974 3.421 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000469300947 566780371 /nfs/dbraw/zinc/78/03/71/566780371.db2.gz CWMRJBPWAOJVSL-YJBOKZPZSA-N -1 3 385.913 3.365 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000516747759 566780640 /nfs/dbraw/zinc/78/06/40/566780640.db2.gz LCGFRGATRAGFDO-BBRMVZONSA-N -1 3 381.881 3.439 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C ZINC000469310650 566780786 /nfs/dbraw/zinc/78/07/86/566780786.db2.gz VSPJKXRYOGTGNU-MLGOLLRUSA-N -1 3 393.933 3.093 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)C1 ZINC000469312646 566780922 /nfs/dbraw/zinc/78/09/22/566780922.db2.gz IWADKLDTGXSVLD-GJZGRUSLSA-N -1 3 391.530 3.194 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1)c1ccc(Cl)s1 ZINC000489327962 566781106 /nfs/dbraw/zinc/78/11/06/566781106.db2.gz SNQZGPIVRDHATK-GFCCVEGCSA-N -1 3 388.898 3.321 20 0 GGADHM CC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)cc1Cl ZINC000516774042 566781643 /nfs/dbraw/zinc/78/16/43/566781643.db2.gz DVUWKFQFIULGQV-UHFFFAOYSA-N -1 3 379.865 3.462 20 0 GGADHM CCCCC[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489320220 566781823 /nfs/dbraw/zinc/78/18/23/566781823.db2.gz HWQORHCFYGWFSN-LBPRGKRZSA-N -1 3 378.947 3.251 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccc2N(C)C)c1 ZINC000469327285 566782250 /nfs/dbraw/zinc/78/22/50/566782250.db2.gz MCDAGHZVVWYPEA-UHFFFAOYSA-N -1 3 399.310 3.002 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)ccc1Cl ZINC000469331759 566782328 /nfs/dbraw/zinc/78/23/28/566782328.db2.gz YAYZOTIZYBCWPH-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000609761125 566783919 /nfs/dbraw/zinc/78/39/19/566783919.db2.gz DXLBSXVPOITCHA-HSZRJFAPSA-N -1 3 385.894 3.050 20 0 GGADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000609767794 566783932 /nfs/dbraw/zinc/78/39/32/566783932.db2.gz IUYMAACYMSPCHC-RYUDHWBXSA-N -1 3 388.942 3.177 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)s1 ZINC000581522335 566784317 /nfs/dbraw/zinc/78/43/17/566784317.db2.gz RJINMCMPOGAPPJ-MRXNPFEDSA-N -1 3 384.567 3.208 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000469353594 566784692 /nfs/dbraw/zinc/78/46/92/566784692.db2.gz FIQWNOCHDLLASH-ZDUSSCGKSA-N -1 3 375.918 3.468 20 0 GGADHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000451268380 566785370 /nfs/dbraw/zinc/78/53/70/566785370.db2.gz DHIHERWKRMICCG-UHFFFAOYSA-N -1 3 395.428 3.169 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)cc1Cl ZINC000542239096 566785596 /nfs/dbraw/zinc/78/55/96/566785596.db2.gz YLRMHQGXYBJYGI-JTQLQIEISA-N -1 3 380.894 3.002 20 0 GGADHM COc1cc(C(=O)N=c2[nH][n-]cc2Br)ccc1OCCC(C)C ZINC000516858288 566786159 /nfs/dbraw/zinc/78/61/59/566786159.db2.gz ADAYEXZZSOPVQQ-UHFFFAOYSA-N -1 3 382.258 3.280 20 0 GGADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427651283 566786589 /nfs/dbraw/zinc/78/65/89/566786589.db2.gz ONWJHJXBNZHCPR-NSHDSACASA-N -1 3 381.259 3.176 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000542239673 566786967 /nfs/dbraw/zinc/78/69/67/566786967.db2.gz DMWXEGLIFROVHU-GHMZBOCLSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427651282 566787029 /nfs/dbraw/zinc/78/70/29/566787029.db2.gz ONWJHJXBNZHCPR-LLVKDONJSA-N -1 3 381.259 3.176 20 0 GGADHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000469387808 566787445 /nfs/dbraw/zinc/78/74/45/566787445.db2.gz DTVBWVSICMYPFJ-KBPBESRZSA-N -1 3 391.530 3.112 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCC2CC2)c(Br)c1 ZINC000469393948 566787582 /nfs/dbraw/zinc/78/75/82/566787582.db2.gz UBGHMCBKZWUUCB-SNVBAGLBSA-N -1 3 390.299 3.093 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CCC2CC2)s1 ZINC000469387807 566787670 /nfs/dbraw/zinc/78/76/70/566787670.db2.gz DTSOZKQXGQXBFQ-CQSZACIVSA-N -1 3 386.583 3.310 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N=c1[nH][n-]cc1Br ZINC000581564217 566787806 /nfs/dbraw/zinc/78/78/06/566787806.db2.gz CWRXTMUWHNSZGI-LURJTMIESA-N -1 3 379.041 3.307 20 0 GGADHM CCc1csc([N-]C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 ZINC000581564957 566788168 /nfs/dbraw/zinc/78/81/68/566788168.db2.gz QNANOPYPAYKCED-UHFFFAOYSA-N -1 3 399.563 3.440 20 0 GGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000469419195 566788449 /nfs/dbraw/zinc/78/84/49/566788449.db2.gz AHSFRQGFSMVSMV-VXGBXAGGSA-N -1 3 378.416 3.292 20 0 GGADHM O=C([N-]c1cc(-c2ccc(Br)o2)no1)[C@@H]1COc2ccccc2O1 ZINC000427671411 566788772 /nfs/dbraw/zinc/78/87/72/566788772.db2.gz ITEIXKJZDMSYFV-ZDUSSCGKSA-N -1 3 391.177 3.476 20 0 GGADHM O=C([N-]c1cc(-c2ccc(Br)o2)no1)[C@H]1COc2ccccc2O1 ZINC000427671410 566788787 /nfs/dbraw/zinc/78/87/87/566788787.db2.gz ITEIXKJZDMSYFV-CYBMUJFWSA-N -1 3 391.177 3.476 20 0 GGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000469419192 566789112 /nfs/dbraw/zinc/78/91/12/566789112.db2.gz AHSFRQGFSMVSMV-NEPJUHHUSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000469409852 566789139 /nfs/dbraw/zinc/78/91/39/566789139.db2.gz JZXXFMHLFSZSBT-CYBMUJFWSA-N -1 3 386.583 3.310 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451292353 566789794 /nfs/dbraw/zinc/78/97/94/566789794.db2.gz SZOCWFHAZQNUGN-ISQRANHSSA-N -1 3 383.510 3.337 20 0 GGADHM FC(F)CNc1cnc(-c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)cn1 ZINC000581577996 566790088 /nfs/dbraw/zinc/79/00/88/566790088.db2.gz GTICWUOLCDDNRJ-UHFFFAOYSA-N -1 3 382.783 3.489 20 0 GGADHM COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1sccc1Cl ZINC000451292725 566789996 /nfs/dbraw/zinc/78/99/96/566789996.db2.gz FHYAWASYMSAZRN-UHFFFAOYSA-N -1 3 375.899 3.214 20 0 GGADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451298993 566791556 /nfs/dbraw/zinc/79/15/56/566791556.db2.gz YDBYBFVURFSZNI-CQSZACIVSA-N -1 3 386.880 3.149 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)c1nc(C)cs1 ZINC000489516285 566792936 /nfs/dbraw/zinc/79/29/36/566792936.db2.gz OZOFPWFIWYMUTP-INIZCTEOSA-N -1 3 388.555 3.120 20 0 GGADHM COc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(Br)c1OC ZINC000516933064 566793024 /nfs/dbraw/zinc/79/30/24/566793024.db2.gz ORPKQQQZBABJGL-JVLSTEMRSA-N -1 3 384.270 3.151 20 0 GGADHM Cc1cscc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000516941364 566794015 /nfs/dbraw/zinc/79/40/15/566794015.db2.gz GYWLLDOLPNHRMA-UHFFFAOYSA-N -1 3 379.290 3.280 20 0 GGADHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C1CC1 ZINC000609899898 566794218 /nfs/dbraw/zinc/79/42/18/566794218.db2.gz VAWFZIVWHBZRQJ-HNNXBMFYSA-N -1 3 380.293 3.230 20 0 GGADHM CCc1nc(CSc2nc3nc(C)cc(C(=O)OC)c3c(=O)[n-]2)cs1 ZINC000609910480 566794590 /nfs/dbraw/zinc/79/45/90/566794590.db2.gz LULASMZXGXFKJU-UHFFFAOYSA-N -1 3 376.463 3.137 20 0 GGADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C1CC1 ZINC000609899899 566794741 /nfs/dbraw/zinc/79/47/41/566794741.db2.gz VAWFZIVWHBZRQJ-OAHLLOKOSA-N -1 3 380.293 3.230 20 0 GGADHM CN(C)C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc2O1 ZINC000678318146 566795029 /nfs/dbraw/zinc/79/50/29/566795029.db2.gz ZWRJXGQJFAZDDZ-CYBMUJFWSA-N -1 3 391.265 3.124 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489558732 566795059 /nfs/dbraw/zinc/79/50/59/566795059.db2.gz ZSRHPUXXDHEBNY-NSHDSACASA-N -1 3 387.395 3.047 20 0 GGADHM O=C(NCC(F)(F)F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469503471 566795556 /nfs/dbraw/zinc/79/55/56/566795556.db2.gz PFBGHAPIUYFHCN-UHFFFAOYSA-N -1 3 383.551 3.236 20 0 GGADHM O=C(NCC(F)(F)F)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469503471 566795558 /nfs/dbraw/zinc/79/55/58/566795558.db2.gz PFBGHAPIUYFHCN-UHFFFAOYSA-N -1 3 383.551 3.236 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC000451324895 566795651 /nfs/dbraw/zinc/79/56/51/566795651.db2.gz ZSAQWJHQQMOESQ-WXRRBKDZSA-N -1 3 387.464 3.393 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)s1 ZINC000489559188 566795888 /nfs/dbraw/zinc/79/58/88/566795888.db2.gz FXTIJGMFYDDWHQ-UHFFFAOYSA-N -1 3 384.376 3.276 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000562497116 566795983 /nfs/dbraw/zinc/79/59/83/566795983.db2.gz YOKLERWCRASNIP-UHFFFAOYSA-N -1 3 387.292 3.256 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000562497116 566795984 /nfs/dbraw/zinc/79/59/84/566795984.db2.gz YOKLERWCRASNIP-UHFFFAOYSA-N -1 3 387.292 3.256 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000562497116 566795985 /nfs/dbraw/zinc/79/59/85/566795985.db2.gz YOKLERWCRASNIP-UHFFFAOYSA-N -1 3 387.292 3.256 20 0 GGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000562494799 566796235 /nfs/dbraw/zinc/79/62/35/566796235.db2.gz XBBLEJOGAOIHRS-INIZCTEOSA-N -1 3 388.555 3.182 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)cc1Cl ZINC000678358042 566796664 /nfs/dbraw/zinc/79/66/64/566796664.db2.gz RYNIADAWPAKFKL-JTQLQIEISA-N -1 3 385.848 3.180 20 0 GGADHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000678357794 566796986 /nfs/dbraw/zinc/79/69/86/566796986.db2.gz QGPQSRXBLNNPDL-VIFPVBQESA-N -1 3 391.237 3.470 20 0 GGADHM Cc1cc2cc(C(=O)NCc3cnc(C)[n-]c3=O)oc2c(Br)c1 ZINC000542387963 566797261 /nfs/dbraw/zinc/79/72/61/566797261.db2.gz CQXKFYGMFYUBAQ-UHFFFAOYSA-N -1 3 376.210 3.238 20 0 GGADHM Cc1cccc(-c2cnc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)s2)c1 ZINC000516988544 566797755 /nfs/dbraw/zinc/79/77/55/566797755.db2.gz XYHWSXZZIIWIAK-AWEZNQCLSA-N -1 3 381.523 3.021 20 0 GGADHM O=S(=O)(CCC(F)(F)F)[N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000516985885 566798180 /nfs/dbraw/zinc/79/81/80/566798180.db2.gz XAEMUXURMQOPHX-SNVBAGLBSA-N -1 3 399.740 3.264 20 0 GGADHM C[C@@H]1C[C@@H](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000542429933 566798778 /nfs/dbraw/zinc/79/87/78/566798778.db2.gz ZHWJVXOOBKFTNZ-NEPJUHHUSA-N -1 3 393.281 3.226 20 0 GGADHM COCCN(Cc1cc(Br)cs1)C(=O)c1ccc2n[n-]nc2c1 ZINC000427790145 566798914 /nfs/dbraw/zinc/79/89/14/566798914.db2.gz QWNVJORIQNPXBQ-UHFFFAOYSA-N -1 3 395.282 3.071 20 0 GGADHM CCc1nc(CN2CCC(C[N-]S(=O)(=O)c3cc(C)cs3)CC2)cs1 ZINC000562544250 566799125 /nfs/dbraw/zinc/79/91/25/566799125.db2.gz WZCXAHBUUZDWBK-UHFFFAOYSA-N -1 3 399.607 3.266 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2)c(Br)c1 ZINC000489623840 566799574 /nfs/dbraw/zinc/79/95/74/566799574.db2.gz OWDPMCIPMMAFQP-UHFFFAOYSA-N -1 3 398.278 3.104 20 0 GGADHM O=C(NCc1nccs1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469559995 566799616 /nfs/dbraw/zinc/79/96/16/566799616.db2.gz GKBIFFJHUBLOKT-UHFFFAOYSA-N -1 3 398.669 3.331 20 0 GGADHM O=C(NCc1nccs1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469559995 566799623 /nfs/dbraw/zinc/79/96/23/566799623.db2.gz GKBIFFJHUBLOKT-UHFFFAOYSA-N -1 3 398.669 3.331 20 0 GGADHM Cc1cc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])n(C)n1 ZINC000469570445 566799784 /nfs/dbraw/zinc/79/97/84/566799784.db2.gz IRLBCAORIZPCOE-UHFFFAOYSA-N -1 3 395.644 3.238 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cccc(OC(F)(F)F)c1F ZINC000489630855 566800010 /nfs/dbraw/zinc/80/00/10/566800010.db2.gz MFKWNSLMUIIUOJ-NSHDSACASA-N -1 3 385.379 3.352 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000427803697 566800091 /nfs/dbraw/zinc/80/00/91/566800091.db2.gz YUEQVRPRRFRRRC-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)n1C1CC1 ZINC000562546344 566800079 /nfs/dbraw/zinc/80/00/79/566800079.db2.gz UUNXNENNHATQHR-UHFFFAOYSA-N -1 3 382.898 3.268 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451344644 566800237 /nfs/dbraw/zinc/80/02/37/566800237.db2.gz JXSKVDJINZPFNR-GFCCVEGCSA-N -1 3 385.942 3.300 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1 ZINC000451349097 566800346 /nfs/dbraw/zinc/80/03/46/566800346.db2.gz QZRORFUAJSOAQO-UHFFFAOYSA-N -1 3 387.860 3.124 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)c1 ZINC000489656340 566800552 /nfs/dbraw/zinc/80/05/52/566800552.db2.gz VNYDDTUOQCZNNF-CQSZACIVSA-N -1 3 383.897 3.480 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCCN(C)c2ccccc2F)c1 ZINC000489650428 566800722 /nfs/dbraw/zinc/80/07/22/566800722.db2.gz IVWOPGQBPYVPTO-UHFFFAOYSA-N -1 3 386.876 3.293 20 0 GGADHM C[C@H]1C[C@H](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000542429934 566800733 /nfs/dbraw/zinc/80/07/33/566800733.db2.gz ZHWJVXOOBKFTNZ-NWDGAFQWSA-N -1 3 393.281 3.226 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3C[C@@H](C)n4ccnc43)s2)cs1 ZINC000562551277 566801041 /nfs/dbraw/zinc/80/10/41/566801041.db2.gz RERNBSMXVCIWJG-KOLCDFICSA-N -1 3 380.520 3.361 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c1F ZINC000655465688 566801533 /nfs/dbraw/zinc/80/15/33/566801533.db2.gz IJZGZLGOWCQIGL-ZDUSSCGKSA-N -1 3 384.498 3.011 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000678494296 566802038 /nfs/dbraw/zinc/80/20/38/566802038.db2.gz SKEOFDIDTSGGNU-UHFFFAOYSA-N -1 3 396.734 3.465 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000678492804 566802053 /nfs/dbraw/zinc/80/20/53/566802053.db2.gz BYSUGGWKMXBRNE-UHFFFAOYSA-N -1 3 382.345 3.181 20 0 GGADHM CC(C)(C)n1nnc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)n1 ZINC000655466355 566802169 /nfs/dbraw/zinc/80/21/69/566802169.db2.gz XFJQEIWPTLNHNM-UHFFFAOYSA-N -1 3 379.877 3.071 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C=C[C@@H]4CCOC4)n3)[n-]2)c1 ZINC000562563110 566802652 /nfs/dbraw/zinc/80/26/52/566802652.db2.gz IUHNBQKHGRUQKK-ORAHPGNNSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C=C[C@@H]4CCOC4)n3)n2)c1 ZINC000562563110 566802658 /nfs/dbraw/zinc/80/26/58/566802658.db2.gz IUHNBQKHGRUQKK-ORAHPGNNSA-N -1 3 388.225 3.334 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C=C[C@@H]4CCOC4)n3)n[n-]2)c1 ZINC000562563110 566802661 /nfs/dbraw/zinc/80/26/61/566802661.db2.gz IUHNBQKHGRUQKK-ORAHPGNNSA-N -1 3 388.225 3.334 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000678494228 566802605 /nfs/dbraw/zinc/80/26/05/566802605.db2.gz QSJAMGOWUINJDJ-UHFFFAOYSA-N -1 3 382.309 3.364 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)c1F ZINC000655477547 566802904 /nfs/dbraw/zinc/80/29/04/566802904.db2.gz QCINHTIDSRCTSX-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1Br ZINC000542466196 566803118 /nfs/dbraw/zinc/80/31/18/566803118.db2.gz QWEOGWARSRFCQI-LLVKDONJSA-N -1 3 390.690 3.182 20 0 GGADHM COCCCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469627808 566803370 /nfs/dbraw/zinc/80/33/70/566803370.db2.gz QKURRGNFXDSBAZ-UHFFFAOYSA-N -1 3 387.661 3.053 20 0 GGADHM COCCCN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469627808 566803375 /nfs/dbraw/zinc/80/33/75/566803375.db2.gz QKURRGNFXDSBAZ-UHFFFAOYSA-N -1 3 387.661 3.053 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1Br ZINC000542466197 566803350 /nfs/dbraw/zinc/80/33/50/566803350.db2.gz QWEOGWARSRFCQI-NSHDSACASA-N -1 3 390.690 3.182 20 0 GGADHM CCc1cnccc1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489694123 566803724 /nfs/dbraw/zinc/80/37/24/566803724.db2.gz YGENBRCHZSUFEG-UHFFFAOYSA-N -1 3 378.347 3.160 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C ZINC000542465861 566803769 /nfs/dbraw/zinc/80/37/69/566803769.db2.gz MUMJZVKHVVCIGY-MRVPVSSYSA-N -1 3 398.706 3.111 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC1 ZINC000489694708 566804128 /nfs/dbraw/zinc/80/41/28/566804128.db2.gz IELUWCIGVSYIQG-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000581754327 566804337 /nfs/dbraw/zinc/80/43/37/566804337.db2.gz LONKFBRABPZZPR-DLBZAZTESA-N -1 3 386.300 3.438 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccc(F)c(F)c1 ZINC000451370056 566804995 /nfs/dbraw/zinc/80/49/95/566804995.db2.gz BYGUECNPGIGCKR-IUODEOHRSA-N -1 3 383.407 3.397 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccc(F)c(F)c1 ZINC000451370058 566805241 /nfs/dbraw/zinc/80/52/41/566805241.db2.gz BYGUECNPGIGCKR-SWLSCSKDSA-N -1 3 383.407 3.397 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccccc1Cl ZINC000451368058 566805501 /nfs/dbraw/zinc/80/55/01/566805501.db2.gz NUXRTPAWGIJTLR-JOYOIKCWSA-N -1 3 387.807 3.205 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000581757920 566805802 /nfs/dbraw/zinc/80/58/02/566805802.db2.gz IKKMANIIYMFEEK-UHFFFAOYSA-N -1 3 383.722 3.262 20 0 GGADHM CCC1(O)CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000678577188 566806111 /nfs/dbraw/zinc/80/61/11/566806111.db2.gz PQKZYLGACREFMI-UHFFFAOYSA-N -1 3 393.281 3.104 20 0 GGADHM CCOc1cc(Br)c(F)cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000427986731 566807936 /nfs/dbraw/zinc/80/79/36/566807936.db2.gz YYHBVXDKPYISSW-UHFFFAOYSA-N -1 3 398.232 3.281 20 0 GGADHM O=C(NCCn1cccc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469707239 566807984 /nfs/dbraw/zinc/80/79/84/566807984.db2.gz FQYUBNPBFRQSJI-UHFFFAOYSA-N -1 3 394.656 3.176 20 0 GGADHM O=C(NCCn1cccc1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469707239 566807990 /nfs/dbraw/zinc/80/79/90/566807990.db2.gz FQYUBNPBFRQSJI-UHFFFAOYSA-N -1 3 394.656 3.176 20 0 GGADHM Cn1cnc2cc([N-]S(=O)(=O)Cc3ccc(Br)cc3)ccc21 ZINC000517119109 566808225 /nfs/dbraw/zinc/80/82/25/566808225.db2.gz XEDURHVOOHOVGP-UHFFFAOYSA-N -1 3 380.267 3.278 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccc(C2CC2)cn1 ZINC000517119092 566808247 /nfs/dbraw/zinc/80/82/47/566808247.db2.gz VKVRUHDYXJZVMF-UHFFFAOYSA-N -1 3 389.175 3.155 20 0 GGADHM Cc1nnsc1C(=O)[N-]c1c(F)cc(C)cc1I ZINC000489748874 566808678 /nfs/dbraw/zinc/80/86/78/566808678.db2.gz DXLMEXNMSRWUTC-UHFFFAOYSA-N -1 3 377.182 3.151 20 0 GGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCSC[C@@H]1C(=O)[O-] ZINC000517176588 566809165 /nfs/dbraw/zinc/80/91/65/566809165.db2.gz CWGQHICWVNTYIB-QGZVFWFLSA-N -1 3 379.913 3.204 20 0 GGADHM CC[C@@H](COC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469717233 566809626 /nfs/dbraw/zinc/80/96/26/566809626.db2.gz KDEUBNRPOACQLV-VIFPVBQESA-N -1 3 387.661 3.099 20 0 GGADHM CC[C@@H](COC)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469717233 566809633 /nfs/dbraw/zinc/80/96/33/566809633.db2.gz KDEUBNRPOACQLV-VIFPVBQESA-N -1 3 387.661 3.099 20 0 GGADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1COC1 ZINC000581860341 566810479 /nfs/dbraw/zinc/81/04/79/566810479.db2.gz IFFTWROUPZQAAM-LLVKDONJSA-N -1 3 377.306 3.017 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC)OC ZINC000581894783 566812883 /nfs/dbraw/zinc/81/28/83/566812883.db2.gz GOBSUXJXEOAWOD-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000581895711 566812964 /nfs/dbraw/zinc/81/29/64/566812964.db2.gz NKNCZLMMXJAGBI-RYUDHWBXSA-N -1 3 391.320 3.205 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000581895712 566812973 /nfs/dbraw/zinc/81/29/73/566812973.db2.gz NKNCZLMMXJAGBI-VXGBXAGGSA-N -1 3 391.320 3.205 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489840963 566813156 /nfs/dbraw/zinc/81/31/56/566813156.db2.gz WFVQPEQJLLRKFC-MRVPVSSYSA-N -1 3 377.306 3.438 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2CCc3ccccc32)c1 ZINC000489862709 566814237 /nfs/dbraw/zinc/81/42/37/566814237.db2.gz XFZHPGOXHSFYPE-UHFFFAOYSA-N -1 3 380.897 3.080 20 0 GGADHM C[C@H]1CC(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C[C@H](C)O1 ZINC000489868119 566814434 /nfs/dbraw/zinc/81/44/34/566814434.db2.gz YRAAPMPSLKEGIK-UWVGGRQHSA-N -1 3 385.379 3.206 20 0 GGADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000610220552 566814810 /nfs/dbraw/zinc/81/48/10/566814810.db2.gz KGKBELGGQFVRKA-UHFFFAOYSA-N -1 3 379.463 3.469 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2nc(SC)ncc2Cl)nc1C(C)C ZINC000562715074 566815183 /nfs/dbraw/zinc/81/51/83/566815183.db2.gz JPJRBFOMXLJQHL-UHFFFAOYSA-N -1 3 386.886 3.471 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)CCC1CCCC1)c1ccc(OC)c(Cl)c1 ZINC000451420009 566815169 /nfs/dbraw/zinc/81/51/69/566815169.db2.gz PSEORNLORLGALR-MRXNPFEDSA-N -1 3 389.901 3.062 20 0 GGADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000489884092 566816471 /nfs/dbraw/zinc/81/64/71/566816471.db2.gz LUVXJIAEFQATSQ-UHFFFAOYSA-N -1 3 385.791 3.136 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC(=O)N1 ZINC000542654669 566816747 /nfs/dbraw/zinc/81/67/47/566816747.db2.gz GRLCBCYQNAAYIE-ZWNOBZJWSA-N -1 3 381.263 3.049 20 0 GGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC1 ZINC000581947637 566817190 /nfs/dbraw/zinc/81/71/90/566817190.db2.gz GHMWVTKNOCWYRL-HAQNSBGRSA-N -1 3 378.416 3.292 20 0 GGADHM Cn1[n-]c(=NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1OC(F)F ZINC000428119107 566818839 /nfs/dbraw/zinc/81/88/39/566818839.db2.gz NQDNSJHKVZHCFK-UHFFFAOYSA-N -1 3 375.162 3.484 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1 ZINC000581958379 566818926 /nfs/dbraw/zinc/81/89/26/566818926.db2.gz XUXHSVWCZMMZHI-UHFFFAOYSA-N -1 3 381.929 3.264 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@H]2CCc3cc(F)c(F)c(F)c32)c1F ZINC000655603179 566819428 /nfs/dbraw/zinc/81/94/28/566819428.db2.gz FWQYWQLKEQGDSM-JTQLQIEISA-N -1 3 375.343 3.217 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(CO)cc2)c(Cl)c1Cl ZINC000678841388 566820758 /nfs/dbraw/zinc/82/07/58/566820758.db2.gz VKWLSSSGTHHNFE-UHFFFAOYSA-N -1 3 390.288 3.015 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCc3ccc(C)cn3)s2)cs1 ZINC000562783134 566821580 /nfs/dbraw/zinc/82/15/80/566821580.db2.gz IJSJHDNCXFBZFP-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM Cc1ncsc1CCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000582009069 566821622 /nfs/dbraw/zinc/82/16/22/566821622.db2.gz PVYZSSDVPWUGJQ-AWEZNQCLSA-N -1 3 381.295 3.268 20 0 GGADHM Cc1ncsc1CCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000582009070 566821882 /nfs/dbraw/zinc/82/18/82/566821882.db2.gz PVYZSSDVPWUGJQ-CQSZACIVSA-N -1 3 381.295 3.268 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1nc2c(s1)CCC2 ZINC000562783677 566822170 /nfs/dbraw/zinc/82/21/70/566822170.db2.gz DWMJPVSXRCJEMH-VIFPVBQESA-N -1 3 387.324 3.434 20 0 GGADHM O=C(NCc1cc(F)c(F)cc1Br)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582013043 566823053 /nfs/dbraw/zinc/82/30/53/566823053.db2.gz YLVJEOVRLBBTHI-UHFFFAOYSA-N -1 3 384.180 3.030 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000490001181 566823218 /nfs/dbraw/zinc/82/32/18/566823218.db2.gz JEVRHVGENCXXIX-NSHDSACASA-N -1 3 379.425 3.123 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1CCCN2)c1ccc(Br)s1 ZINC000490011335 566824554 /nfs/dbraw/zinc/82/45/54/566824554.db2.gz FNUDUQNUUBFHJL-UHFFFAOYSA-N -1 3 387.324 3.347 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000490006541 566824589 /nfs/dbraw/zinc/82/45/89/566824589.db2.gz MVJVWPZQRNWGSC-LLVKDONJSA-N -1 3 379.400 3.106 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccc2n[n-]nc2c1 ZINC000428211113 566824607 /nfs/dbraw/zinc/82/46/07/566824607.db2.gz UBJODEZGZBDWQY-ZDUSSCGKSA-N -1 3 375.251 3.297 20 0 GGADHM COC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCC1 ZINC000469884668 566824651 /nfs/dbraw/zinc/82/46/51/566824651.db2.gz PFBLYBQMRNGAQT-UHFFFAOYSA-N -1 3 399.672 3.243 20 0 GGADHM COC1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCC1 ZINC000469884668 566824654 /nfs/dbraw/zinc/82/46/54/566824654.db2.gz PFBLYBQMRNGAQT-UHFFFAOYSA-N -1 3 399.672 3.243 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000582035217 566825035 /nfs/dbraw/zinc/82/50/35/566825035.db2.gz QIHWKFHHMVLVCC-UHFFFAOYSA-N -1 3 380.413 3.494 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000451490843 566826449 /nfs/dbraw/zinc/82/64/49/566826449.db2.gz BCDHSBAJGYMTAU-ZWNOBZJWSA-N -1 3 399.456 3.273 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2nc3c(s2)CCCC3)CC1)c1cccs1 ZINC000678951829 566826790 /nfs/dbraw/zinc/82/67/90/566826790.db2.gz SGCTWQGFRFRWJH-UHFFFAOYSA-N -1 3 397.591 3.026 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)cc1Cl ZINC000655650498 566827677 /nfs/dbraw/zinc/82/76/77/566827677.db2.gz DUPFYKNISSLLLK-JTQLQIEISA-N -1 3 375.277 3.307 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccccn1 ZINC000655651196 566827753 /nfs/dbraw/zinc/82/77/53/566827753.db2.gz LEVZMFXKMZDRJO-LBPRGKRZSA-N -1 3 399.310 3.152 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000582063788 566828028 /nfs/dbraw/zinc/82/80/28/566828028.db2.gz HVBCABIMLUNCIW-ZDUSSCGKSA-N -1 3 386.677 3.300 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000451502187 566828305 /nfs/dbraw/zinc/82/83/05/566828305.db2.gz PZVWQUNFEDGGRH-CABZTGNLSA-N -1 3 388.263 3.382 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000451497605 566828458 /nfs/dbraw/zinc/82/84/58/566828458.db2.gz WGORYBQZTRAWLM-GWCFXTLKSA-N -1 3 399.456 3.273 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)cc1Cl ZINC000490079410 566828573 /nfs/dbraw/zinc/82/85/73/566828573.db2.gz KBTHGODMXDICHV-HNNXBMFYSA-N -1 3 396.336 3.468 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)cc1Cl ZINC000490079412 566829103 /nfs/dbraw/zinc/82/91/03/566829103.db2.gz KBTHGODMXDICHV-OAHLLOKOSA-N -1 3 396.336 3.468 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1(CO)CCC1 ZINC000490100931 566830032 /nfs/dbraw/zinc/83/00/32/566830032.db2.gz HNNBIPNNELLVBE-AWEZNQCLSA-N -1 3 394.306 3.054 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1(CO)CCC1 ZINC000490100934 566830106 /nfs/dbraw/zinc/83/01/06/566830106.db2.gz HNNBIPNNELLVBE-CQSZACIVSA-N -1 3 394.306 3.054 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1(CO)CCC1 ZINC000490100022 566830702 /nfs/dbraw/zinc/83/07/02/566830702.db2.gz PVNGFJPCJWVOIV-CQSZACIVSA-N -1 3 394.306 3.054 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)[C@H]1CCCCO1 ZINC000679011303 566830647 /nfs/dbraw/zinc/83/06/47/566830647.db2.gz CINRECJGROPIKI-DGCLKSJQSA-N -1 3 392.315 3.084 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCCO1 ZINC000679012472 566830838 /nfs/dbraw/zinc/83/08/38/566830838.db2.gz SJEKOCXQRHPUCS-RNCFNFMXSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCCO1 ZINC000679012059 566831008 /nfs/dbraw/zinc/83/10/08/566831008.db2.gz KRJMNNNIDLEFFK-BXKDBHETSA-N -1 3 382.707 3.338 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cn1 ZINC000542836487 566831062 /nfs/dbraw/zinc/83/10/62/566831062.db2.gz HTFBGADDIIIVDC-UHFFFAOYSA-N -1 3 375.219 3.183 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000562904477 566831426 /nfs/dbraw/zinc/83/14/26/566831426.db2.gz DYUYCMJGINAUIB-WMLDXEAASA-N -1 3 386.300 3.438 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1(CO)CCC1 ZINC000490124092 566832231 /nfs/dbraw/zinc/83/22/31/566832231.db2.gz ARWWWBYNRAATLX-CQSZACIVSA-N -1 3 394.306 3.054 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN2CCCC[C@H]12)c1cc(Cl)ccc1OC(F)F ZINC000655666794 566833322 /nfs/dbraw/zinc/83/33/22/566833322.db2.gz AJNCTLCCEUJVLA-QWHCGFSZSA-N -1 3 394.871 3.237 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)s1 ZINC000655669352 566834410 /nfs/dbraw/zinc/83/44/10/566834410.db2.gz OVFXVLKWDPRLKG-OLZOCXBDSA-N -1 3 393.372 3.114 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428362544 566834708 /nfs/dbraw/zinc/83/47/08/566834708.db2.gz IZAGNIOCBBFJID-NSHDSACASA-N -1 3 398.750 3.426 20 0 GGADHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000517588669 566834817 /nfs/dbraw/zinc/83/48/17/566834817.db2.gz OWBXHLSXUXPBLT-MRVPVSSYSA-N -1 3 386.308 3.017 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@H](CO)CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000517594588 566834920 /nfs/dbraw/zinc/83/49/20/566834920.db2.gz DZZNEVXAZNSERO-YEORSEQZSA-N -1 3 386.926 3.293 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ncc[nH]1 ZINC000451548077 566835482 /nfs/dbraw/zinc/83/54/82/566835482.db2.gz MKMUNQFPKNDQJM-GFCCVEGCSA-N -1 3 381.351 3.123 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ncc[nH]1 ZINC000451548078 566835513 /nfs/dbraw/zinc/83/55/13/566835513.db2.gz MKMUNQFPKNDQJM-LBPRGKRZSA-N -1 3 381.351 3.123 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ncc[nH]1 ZINC000451549214 566835620 /nfs/dbraw/zinc/83/56/20/566835620.db2.gz PEVTWXLMLWXXTM-GFCCVEGCSA-N -1 3 394.241 3.126 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCCO1 ZINC000428376409 566835981 /nfs/dbraw/zinc/83/59/81/566835981.db2.gz SJWXGAUSWJZRPM-OLZOCXBDSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1cc(Br)cc2cc(C(=O)N3CCc4c(=O)[n-]cnc4C3)oc21 ZINC000517620908 566836069 /nfs/dbraw/zinc/83/60/69/566836069.db2.gz MXPJOIANXMRORI-UHFFFAOYSA-N -1 3 388.221 3.198 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ncc[nH]1 ZINC000451546744 566836328 /nfs/dbraw/zinc/83/63/28/566836328.db2.gz JOYRYOPCXFVOKW-NSHDSACASA-N -1 3 381.351 3.123 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCCO1 ZINC000428376413 566836636 /nfs/dbraw/zinc/83/66/36/566836636.db2.gz SJWXGAUSWJZRPM-STQMWFEESA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000428376412 566836704 /nfs/dbraw/zinc/83/67/04/566836704.db2.gz SJWXGAUSWJZRPM-QWHCGFSZSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000582174376 566836985 /nfs/dbraw/zinc/83/69/85/566836985.db2.gz OXCMIDKQRGIVGE-UHFFFAOYSA-N -1 3 383.722 3.262 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1F ZINC000428392257 566837484 /nfs/dbraw/zinc/83/74/84/566837484.db2.gz YSXQXQZPDIUHPJ-GUYCJALGSA-N -1 3 387.835 3.063 20 0 GGADHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cscc2Br)cn1 ZINC000631953365 566837695 /nfs/dbraw/zinc/83/76/95/566837695.db2.gz IOZVJNXXACIRHP-SECBINFHSA-N -1 3 378.317 3.328 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1F ZINC000428392258 566837974 /nfs/dbraw/zinc/83/79/74/566837974.db2.gz YSXQXQZPDIUHPJ-SUMWQHHRSA-N -1 3 387.835 3.063 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1F ZINC000428392255 566838120 /nfs/dbraw/zinc/83/81/20/566838120.db2.gz YSXQXQZPDIUHPJ-CXAGYDPISA-N -1 3 387.835 3.063 20 0 GGADHM CCc1ccc(-c2csc([N-]C(=O)c3c(OC)ncnc3OC)n2)s1 ZINC000517654476 566838367 /nfs/dbraw/zinc/83/83/67/566838367.db2.gz SNOIKCVHDBTWSZ-UHFFFAOYSA-N -1 3 376.463 3.494 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000428405332 566839581 /nfs/dbraw/zinc/83/95/81/566839581.db2.gz WHCJPLPCZBBGRB-RHSMWYFYSA-N -1 3 387.835 3.063 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000428403160 566839620 /nfs/dbraw/zinc/83/96/20/566839620.db2.gz JIXYVIQGQFWCCC-CYBMUJFWSA-N -1 3 396.734 3.178 20 0 GGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428399852 566839792 /nfs/dbraw/zinc/83/97/92/566839792.db2.gz HZROVYBZPVRFHP-ZANVPECISA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428399536 566839885 /nfs/dbraw/zinc/83/98/85/566839885.db2.gz HZROVYBZPVRFHP-TVQRCGJNSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cscc1Br ZINC000631995742 566840005 /nfs/dbraw/zinc/84/00/05/566840005.db2.gz NAIMVUKPOBLHOU-SSDOTTSWSA-N -1 3 379.301 3.025 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1Cl ZINC000428398789 566840070 /nfs/dbraw/zinc/84/00/70/566840070.db2.gz IRDVGLNOUFTANW-WMLDXEAASA-N -1 3 387.835 3.063 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000610512863 566840390 /nfs/dbraw/zinc/84/03/90/566840390.db2.gz WMKHHUKVICARKI-UHFFFAOYSA-N -1 3 398.893 3.190 20 0 GGADHM O=S(=O)(C[C@H]1CCCC(F)(F)C1)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000632018202 566841975 /nfs/dbraw/zinc/84/19/75/566841975.db2.gz VJWIWIQVAJKKOE-QMMMGPOBSA-N -1 3 378.388 3.407 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Br)c1 ZINC000428411044 566842073 /nfs/dbraw/zinc/84/20/73/566842073.db2.gz QTBFTJQXTDRWKR-GFCCVEGCSA-N -1 3 390.690 3.182 20 0 GGADHM COCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000490288904 566842636 /nfs/dbraw/zinc/84/26/36/566842636.db2.gz FOBZKAYXQQZVIL-UHFFFAOYSA-N -1 3 375.918 3.470 20 0 GGADHM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1=O ZINC000490338875 566843336 /nfs/dbraw/zinc/84/33/36/566843336.db2.gz YLMMJSQAVPBUDC-UHFFFAOYSA-N -1 3 397.283 3.324 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c1 ZINC000542967689 566843824 /nfs/dbraw/zinc/84/38/24/566843824.db2.gz PZGXOSUIKMYMFG-OAHLLOKOSA-N -1 3 381.450 3.128 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(SCC)c1 ZINC000451576447 566843972 /nfs/dbraw/zinc/84/39/72/566843972.db2.gz WKFBUGSFYRFKPC-ZDUSSCGKSA-N -1 3 399.456 3.102 20 0 GGADHM O=S(=O)(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc([O-])cc1 ZINC000563021630 566845770 /nfs/dbraw/zinc/84/57/70/566845770.db2.gz WWDAYQBZPWDTFU-MQMHXKEQSA-N -1 3 382.279 3.379 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000632091323 566847901 /nfs/dbraw/zinc/84/79/01/566847901.db2.gz DTRALVCWRWYMGY-UHFFFAOYSA-N -1 3 383.319 3.306 20 0 GGADHM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000582282770 566847886 /nfs/dbraw/zinc/84/78/86/566847886.db2.gz XHWBDBSQRGVBPI-LLVKDONJSA-N -1 3 396.925 3.107 20 0 GGADHM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000582282771 566848045 /nfs/dbraw/zinc/84/80/45/566848045.db2.gz XHWBDBSQRGVBPI-NSHDSACASA-N -1 3 396.925 3.107 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543070068 566848101 /nfs/dbraw/zinc/84/81/01/566848101.db2.gz WTWUQRJAJNEDMU-KOLCDFICSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CN1C1CC1 ZINC000543067528 566848172 /nfs/dbraw/zinc/84/81/72/566848172.db2.gz QXSPIQRZXVAFKY-MWLCHTKSSA-N -1 3 393.734 3.006 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cscc2Br)cs1 ZINC000632083368 566848249 /nfs/dbraw/zinc/84/82/49/566848249.db2.gz OXCFFPUMUGGRDE-SSDOTTSWSA-N -1 3 397.341 3.153 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc(C3CC3)s2)cc1OC ZINC000517817945 566848514 /nfs/dbraw/zinc/84/85/14/566848514.db2.gz LLIPHOOHCNASHO-UHFFFAOYSA-N -1 3 381.479 3.043 20 0 GGADHM Cc1nnsc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000490421687 566848592 /nfs/dbraw/zinc/84/85/92/566848592.db2.gz YXYAYMRCONPRKV-UHFFFAOYSA-N -1 3 387.914 3.157 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543070898 566848881 /nfs/dbraw/zinc/84/88/81/566848881.db2.gz LCUDAMHQHTUVQD-LLVKDONJSA-N -1 3 398.750 3.426 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CN1C1CC1 ZINC000543067526 566849272 /nfs/dbraw/zinc/84/92/72/566849272.db2.gz QXSPIQRZXVAFKY-KOLCDFICSA-N -1 3 393.734 3.006 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2C)o1 ZINC000632099713 566850305 /nfs/dbraw/zinc/85/03/05/566850305.db2.gz YXKYZMILQMTBDU-ZETCQYMHSA-N -1 3 394.678 3.142 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1cccs1 ZINC000582328736 566851340 /nfs/dbraw/zinc/85/13/40/566851340.db2.gz MBPPTTZKFPLVKS-QGZVFWFLSA-N -1 3 376.503 3.334 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2c(c1)SCC(=O)N2 ZINC000582329728 566851358 /nfs/dbraw/zinc/85/13/58/566851358.db2.gz GUNZPIXHCVNDAZ-UHFFFAOYSA-N -1 3 379.235 3.451 20 0 GGADHM O=S(=O)(C[C@H]1CCC(F)(F)C1)NCc1ccc([O-])c(Br)c1 ZINC000632115329 566851499 /nfs/dbraw/zinc/85/14/99/566851499.db2.gz ORVIVILLQVNKIQ-JTQLQIEISA-N -1 3 384.242 3.010 20 0 GGADHM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451621515 566851667 /nfs/dbraw/zinc/85/16/67/566851667.db2.gz BVMMBIRSPNUCRB-ZDUSSCGKSA-N -1 3 375.918 3.206 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cscc1Br ZINC000632119667 566851948 /nfs/dbraw/zinc/85/19/48/566851948.db2.gz ZUXLAWYXCQXMPL-JTQLQIEISA-N -1 3 380.329 3.281 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]2CCC[C@H]21 ZINC000428535954 566851871 /nfs/dbraw/zinc/85/18/71/566851871.db2.gz ICMBAGXMABCYAI-BXUZGUMPSA-N -1 3 391.320 3.063 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C(C)(C)c3ccccc3F)cnc2c1Cl ZINC000490446776 566851917 /nfs/dbraw/zinc/85/19/17/566851917.db2.gz QHTAOAKFEJNEOO-UHFFFAOYSA-N -1 3 382.848 3.044 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1cccc(Br)c1F ZINC000543105579 566852047 /nfs/dbraw/zinc/85/20/47/566852047.db2.gz SRHOSCQWFOEZAF-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000490443146 566852220 /nfs/dbraw/zinc/85/22/20/566852220.db2.gz UEEYPKKIYLPESG-UHFFFAOYSA-N -1 3 397.419 3.340 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000490449506 566852233 /nfs/dbraw/zinc/85/22/33/566852233.db2.gz PXWJYMRALTWGMI-GFCCVEGCSA-N -1 3 384.860 3.045 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1F ZINC000490443703 566852460 /nfs/dbraw/zinc/85/24/60/566852460.db2.gz KHJGQMJFVZNGSV-UHFFFAOYSA-N -1 3 385.844 3.479 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(CC)CC)c(Br)c1 ZINC000517870155 566852820 /nfs/dbraw/zinc/85/28/20/566852820.db2.gz UVAGHYIIOCPIRQ-UHFFFAOYSA-N -1 3 392.315 3.340 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000451616383 566852917 /nfs/dbraw/zinc/85/29/17/566852917.db2.gz RKNZMPQEOVLZBI-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H](N2CCCC2)C1 ZINC000582331044 566853135 /nfs/dbraw/zinc/85/31/35/566853135.db2.gz XMSHVCDXMPVOTB-GFCCVEGCSA-N -1 3 390.281 3.013 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@H](O)Cc1cccc(F)c1 ZINC000451634619 566853642 /nfs/dbraw/zinc/85/36/42/566853642.db2.gz SATPMZMPJUUMPI-CYBMUJFWSA-N -1 3 392.279 3.156 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1cc(F)ccc1Br ZINC000543118861 566854096 /nfs/dbraw/zinc/85/40/96/566854096.db2.gz BIYAWVATEPAKRY-UHFFFAOYSA-N -1 3 398.232 3.368 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1cc(F)ccc1Br ZINC000543118861 566854102 /nfs/dbraw/zinc/85/41/02/566854102.db2.gz BIYAWVATEPAKRY-UHFFFAOYSA-N -1 3 398.232 3.368 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451637421 566854564 /nfs/dbraw/zinc/85/45/64/566854564.db2.gz AWYPKHOEJZSLCB-SNVBAGLBSA-N -1 3 381.828 3.230 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCC=C(F)C1 ZINC000543125236 566854561 /nfs/dbraw/zinc/85/45/61/566854561.db2.gz SNPYHPSTQUYYGS-UHFFFAOYSA-N -1 3 386.514 3.449 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000582390615 566856590 /nfs/dbraw/zinc/85/65/90/566856590.db2.gz QMIDWLGFDHNVQS-AWEZNQCLSA-N -1 3 390.958 3.204 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cscc1Br)c1ccncc1 ZINC000632169232 566856784 /nfs/dbraw/zinc/85/67/84/566856784.db2.gz NAESLDJTEVKTCR-UHFFFAOYSA-N -1 3 375.313 3.162 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccccc2C)sc1Br ZINC000451658464 566857689 /nfs/dbraw/zinc/85/76/89/566857689.db2.gz AVZUKVKZEZJELF-UHFFFAOYSA-N -1 3 375.313 3.142 20 0 GGADHM O=C(NCc1nnc(-c2ccc(F)cc2)[nH]1)c1cc(Br)ccc1[O-] ZINC000517970536 566857836 /nfs/dbraw/zinc/85/78/36/566857836.db2.gz SWTFHCSIYUUHKT-UHFFFAOYSA-N -1 3 391.200 3.009 20 0 GGADHM O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(Br)ccc1[O-] ZINC000517970536 566857840 /nfs/dbraw/zinc/85/78/40/566857840.db2.gz SWTFHCSIYUUHKT-UHFFFAOYSA-N -1 3 391.200 3.009 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(C)cc2)sc1Br ZINC000451658253 566857868 /nfs/dbraw/zinc/85/78/68/566857868.db2.gz AHBNYANKOSNMGS-UHFFFAOYSA-N -1 3 375.313 3.142 20 0 GGADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cscc2Br)CCO1 ZINC000632185678 566858476 /nfs/dbraw/zinc/85/84/76/566858476.db2.gz IFNOQWZBFUBBTJ-MNOVXSKESA-N -1 3 382.345 3.383 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2C)sc1Br ZINC000451660989 566859461 /nfs/dbraw/zinc/85/94/61/566859461.db2.gz HNFIKQVWYRDBBE-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000543169747 566859794 /nfs/dbraw/zinc/85/97/94/566859794.db2.gz QVMXWKVBSHTHAA-LBPRGKRZSA-N -1 3 377.384 3.225 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)o1 ZINC000490517365 566859907 /nfs/dbraw/zinc/85/99/07/566859907.db2.gz QALNIBKNTWQREP-UHFFFAOYSA-N -1 3 391.262 3.316 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000490518322 566860084 /nfs/dbraw/zinc/86/00/84/566860084.db2.gz AAKHRHRNESPFFV-QFYYESIMSA-N -1 3 387.910 3.391 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000543173302 566860127 /nfs/dbraw/zinc/86/01/27/566860127.db2.gz ZEQYDTHYPPSPAG-SECBINFHSA-N -1 3 398.319 3.161 20 0 GGADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000543169745 566860339 /nfs/dbraw/zinc/86/03/39/566860339.db2.gz QVMXWKVBSHTHAA-GFCCVEGCSA-N -1 3 377.384 3.225 20 0 GGADHM O=S(=O)([N-]Cc1noc2ccccc21)c1ccc(F)cc1Br ZINC000470262171 566860246 /nfs/dbraw/zinc/86/02/46/566860246.db2.gz BFYQMJPNHVSLSG-UHFFFAOYSA-N -1 3 385.214 3.208 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)o1 ZINC000490521589 566860826 /nfs/dbraw/zinc/86/08/26/566860826.db2.gz QEQHUHRELMEYRY-UHFFFAOYSA-N -1 3 391.262 3.234 20 0 GGADHM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2cscc2Br)cn1 ZINC000632210674 566861342 /nfs/dbraw/zinc/86/13/42/566861342.db2.gz OUSQJLYNRCKXED-UHFFFAOYSA-N -1 3 375.313 3.428 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccn1 ZINC000451667260 566861134 /nfs/dbraw/zinc/86/11/34/566861134.db2.gz IRQJWDZHQORKKJ-UHFFFAOYSA-N -1 3 375.313 3.162 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)ccc1F ZINC000582437020 566861344 /nfs/dbraw/zinc/86/13/44/566861344.db2.gz VEXMFLVRJNBZQF-QWHCGFSZSA-N -1 3 382.844 3.129 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc([S@](C)=O)cc1 ZINC000610758958 566861454 /nfs/dbraw/zinc/86/14/54/566861454.db2.gz PRDKGQSPLVFPDP-DEOSSOPVSA-N -1 3 381.450 3.096 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H]1OCCc2sccc21 ZINC000490526685 566861733 /nfs/dbraw/zinc/86/17/33/566861733.db2.gz GVLBELBCXOZYQI-VXJOIVPMSA-N -1 3 377.409 3.146 20 0 GGADHM O=C([O-])CN(Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCC1 ZINC000655933715 566861813 /nfs/dbraw/zinc/86/18/13/566861813.db2.gz UEWOEIUUBHVWAT-UHFFFAOYSA-N -1 3 376.254 3.345 20 0 GGADHM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000451686091 566862486 /nfs/dbraw/zinc/86/24/86/566862486.db2.gz NOXADRCSEWXPEP-CYBMUJFWSA-N -1 3 375.918 3.206 20 0 GGADHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)OC ZINC000451675906 566862535 /nfs/dbraw/zinc/86/25/35/566862535.db2.gz CZLZHBPAFQSHKM-DGCLKSJQSA-N -1 3 385.507 3.027 20 0 GGADHM CSCC1CCC([N-]S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000451702640 566865591 /nfs/dbraw/zinc/86/55/91/566865591.db2.gz CNWOQLAXHBHVBN-UHFFFAOYSA-N -1 3 379.345 3.044 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]C2(Cc3ccccc3Br)CC2)c1 ZINC000490537103 566863283 /nfs/dbraw/zinc/86/32/83/566863283.db2.gz UFQUOWRZTUYRMP-UHFFFAOYSA-N -1 3 398.326 3.280 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000490564388 566864304 /nfs/dbraw/zinc/86/43/04/566864304.db2.gz IOQBHZILQHCYIN-UHFFFAOYSA-N -1 3 382.873 3.116 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000490564388 566864305 /nfs/dbraw/zinc/86/43/05/566864305.db2.gz IOQBHZILQHCYIN-UHFFFAOYSA-N -1 3 382.873 3.116 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1cc(Cl)ccc1OC1CCCC1 ZINC000490564388 566864306 /nfs/dbraw/zinc/86/43/06/566864306.db2.gz IOQBHZILQHCYIN-UHFFFAOYSA-N -1 3 382.873 3.116 20 0 GGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000679578942 566864346 /nfs/dbraw/zinc/86/43/46/566864346.db2.gz AGOILSPBIVUNCJ-MWLCHTKSSA-N -1 3 382.379 3.000 20 0 GGADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000490554644 566864510 /nfs/dbraw/zinc/86/45/10/566864510.db2.gz IGZTYAVURZHXTM-UHFFFAOYSA-N -1 3 381.416 3.247 20 0 GGADHM CSc1cc(C(=O)Nc2nnc(SCCO)[n-]2)c(Cl)cc1Cl ZINC000490565478 566864926 /nfs/dbraw/zinc/86/49/26/566864926.db2.gz NCSIXMSPJXELNG-UHFFFAOYSA-N -1 3 379.294 3.170 20 0 GGADHM CSc1cc(C(=O)Nc2nc(SCCO)n[n-]2)c(Cl)cc1Cl ZINC000490565478 566864927 /nfs/dbraw/zinc/86/49/27/566864927.db2.gz NCSIXMSPJXELNG-UHFFFAOYSA-N -1 3 379.294 3.170 20 0 GGADHM CSc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(Cl)cc1Cl ZINC000490565478 566864929 /nfs/dbraw/zinc/86/49/29/566864929.db2.gz NCSIXMSPJXELNG-UHFFFAOYSA-N -1 3 379.294 3.170 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO[C@@H]1C1CC1 ZINC000543244987 566865698 /nfs/dbraw/zinc/86/56/98/566865698.db2.gz KJRSHIROGHFYIF-ZIAGYGMSSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO[C@H]1C1CC1 ZINC000543244984 566865832 /nfs/dbraw/zinc/86/58/32/566865832.db2.gz KJRSHIROGHFYIF-KBPBESRZSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543246074 566865862 /nfs/dbraw/zinc/86/58/62/566865862.db2.gz IURMVKUEVZACDK-MWLCHTKSSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc([C@@H]([N-]S(=O)(=O)C2COC2)c2ccccc2Cl)c(C)c1 ZINC000582462451 566865891 /nfs/dbraw/zinc/86/58/91/566865891.db2.gz BBTVNMXHDKOEKG-GOSISDBHSA-N -1 3 381.881 3.065 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cscc2Br)n[nH]1 ZINC000632273664 566868890 /nfs/dbraw/zinc/86/88/90/566868890.db2.gz WKENQOXKKCLORA-HTQZYQBOSA-N -1 3 393.332 3.182 20 0 GGADHM CSc1c(F)cc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1F ZINC000543293882 566868800 /nfs/dbraw/zinc/86/88/00/566868800.db2.gz HJMFTCJIYXSIDV-UHFFFAOYSA-N -1 3 390.408 3.450 20 0 GGADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000518148115 566868947 /nfs/dbraw/zinc/86/89/47/566868947.db2.gz ZHCQRYOWITVSIL-LBPRGKRZSA-N -1 3 385.942 3.084 20 0 GGADHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000451723113 566868938 /nfs/dbraw/zinc/86/89/38/566868938.db2.gz XQIVHUQQIHGWSZ-ZDUSSCGKSA-N -1 3 375.918 3.348 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451727593 566870761 /nfs/dbraw/zinc/87/07/61/566870761.db2.gz BCOHVKFGHRFLTJ-GFCCVEGCSA-N -1 3 395.424 3.178 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)c1 ZINC000679760201 566871460 /nfs/dbraw/zinc/87/14/60/566871460.db2.gz KMHPXFLMNHVJEW-VIFPVBQESA-N -1 3 389.246 3.031 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(Br)c(C)cc1OC ZINC000582539007 566871785 /nfs/dbraw/zinc/87/17/85/566871785.db2.gz OIOSHTOSUUPABG-UHFFFAOYSA-N -1 3 396.241 3.227 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(Br)c(C)cc1OC ZINC000582539007 566871792 /nfs/dbraw/zinc/87/17/92/566871792.db2.gz OIOSHTOSUUPABG-UHFFFAOYSA-N -1 3 396.241 3.227 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCC=C(C)C)cc1F ZINC000451737834 566871969 /nfs/dbraw/zinc/87/19/69/566871969.db2.gz GWYLELCXFNYFEU-ZDUSSCGKSA-N -1 3 392.518 3.001 20 0 GGADHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000428732247 566873989 /nfs/dbraw/zinc/87/39/89/566873989.db2.gz HOUOQPIMRKVYGW-UHFFFAOYSA-N -1 3 394.396 3.216 20 0 GGADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1cncc(F)c1 ZINC000679826218 566874518 /nfs/dbraw/zinc/87/45/18/566874518.db2.gz IYGXCZCJWWOPKW-VIFPVBQESA-N -1 3 390.212 3.316 20 0 GGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000632330540 566876117 /nfs/dbraw/zinc/87/61/17/566876117.db2.gz RFWDOEFBVMUSIW-RYUDHWBXSA-N -1 3 392.424 3.482 20 0 GGADHM Cc1cccc(C[C@H](CO)NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)c1 ZINC000470472391 566876808 /nfs/dbraw/zinc/87/68/08/566876808.db2.gz GAUNVSMBXJDUPJ-CYBMUJFWSA-N -1 3 375.881 3.433 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000543396552 566877009 /nfs/dbraw/zinc/87/70/09/566877009.db2.gz SFBPDMDZFUSPKD-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543393101 566877259 /nfs/dbraw/zinc/87/72/59/566877259.db2.gz UUQRGZSVYPIOMQ-LBPRGKRZSA-N -1 3 395.750 3.254 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1ccc(Cl)cc1Br ZINC000543397298 566877321 /nfs/dbraw/zinc/87/73/21/566877321.db2.gz FMRFMBMPDYVMHF-ZDUSSCGKSA-N -1 3 390.686 3.114 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1ccc(Cl)cc1Br ZINC000543396553 566877407 /nfs/dbraw/zinc/87/74/07/566877407.db2.gz SFRDOEWNYKYGPJ-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000563358966 566877675 /nfs/dbraw/zinc/87/76/75/566877675.db2.gz GFCWGNLEXMVRPK-LLVKDONJSA-N -1 3 380.242 3.166 20 0 GGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000563358966 566877684 /nfs/dbraw/zinc/87/76/84/566877684.db2.gz GFCWGNLEXMVRPK-LLVKDONJSA-N -1 3 380.242 3.166 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cnn(C2CCCC2)c1)c1cccs1 ZINC000632341762 566877823 /nfs/dbraw/zinc/87/78/23/566877823.db2.gz USWXBTNAFSTCJP-INIZCTEOSA-N -1 3 383.539 3.098 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1ccc(Cl)cc1Br ZINC000543414457 566878455 /nfs/dbraw/zinc/87/84/55/566878455.db2.gz VDEKXHSFTRDXIY-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451767960 566878759 /nfs/dbraw/zinc/87/87/59/566878759.db2.gz XKORCQPXSDGSGJ-GFCCVEGCSA-N -1 3 375.918 3.347 20 0 GGADHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451767962 566879071 /nfs/dbraw/zinc/87/90/71/566879071.db2.gz XKORCQPXSDGSGJ-LBPRGKRZSA-N -1 3 375.918 3.347 20 0 GGADHM CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000451769725 566879194 /nfs/dbraw/zinc/87/91/94/566879194.db2.gz AXNVBSWYAZURHZ-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000490794585 566879299 /nfs/dbraw/zinc/87/92/99/566879299.db2.gz DFIRLVZBSFBFSK-VIFPVBQESA-N -1 3 388.276 3.251 20 0 GGADHM CN(C)C(=O)C1([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)CCCCC1 ZINC000451772621 566879508 /nfs/dbraw/zinc/87/95/08/566879508.db2.gz KQEGSHIKMQIXSC-UHFFFAOYSA-N -1 3 393.336 3.204 20 0 GGADHM Cc1cc(Br)ccc1CS(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000563377640 566880061 /nfs/dbraw/zinc/88/00/61/566880061.db2.gz IEMDJRYPTMOFSM-UHFFFAOYSA-N -1 3 397.294 3.246 20 0 GGADHM COC(=O)C[C@](C)(NCc1ncccc1[O-])c1ccc(Br)cc1 ZINC000563365850 566880475 /nfs/dbraw/zinc/88/04/75/566880475.db2.gz VMUNADYPTUQBQY-KRWDZBQOSA-N -1 3 379.254 3.118 20 0 GGADHM CCC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1)C(C)(C)C ZINC000451775974 566880567 /nfs/dbraw/zinc/88/05/67/566880567.db2.gz FZYAJNHQZZQQRI-OAHLLOKOSA-N -1 3 394.534 3.080 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)n(C2CCN(C)CC2)n1 ZINC000656182412 566881228 /nfs/dbraw/zinc/88/12/28/566881228.db2.gz IAVOGGNXLVVKEA-UHFFFAOYSA-N -1 3 382.917 3.221 20 0 GGADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)ccc1Cl ZINC000656182895 566881444 /nfs/dbraw/zinc/88/14/44/566881444.db2.gz ZENWNGHVHDPDRX-UHFFFAOYSA-N -1 3 378.881 3.331 20 0 GGADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000582655019 566881947 /nfs/dbraw/zinc/88/19/47/566881947.db2.gz BMCLFFXVLKZJBB-DOTOQJQBSA-N -1 3 381.519 3.058 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(F)F ZINC000582642226 566882469 /nfs/dbraw/zinc/88/24/69/566882469.db2.gz QBVYANMXERRLGU-SECBINFHSA-N -1 3 385.208 3.408 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]Cc1ncc(C(F)(F)F)cn1 ZINC000451788668 566882472 /nfs/dbraw/zinc/88/24/72/566882472.db2.gz OWAHMTYIMFCWTL-UHFFFAOYSA-N -1 3 381.326 3.053 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000451791668 566882675 /nfs/dbraw/zinc/88/26/75/566882675.db2.gz YPNJEUSLOQATIF-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cscc1Br ZINC000632410062 566883200 /nfs/dbraw/zinc/88/32/00/566883200.db2.gz UCVBBCRNXNYNPH-JTQLQIEISA-N -1 3 380.329 3.138 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)c1ccc(C(C)C)cc1 ZINC000611017036 566883485 /nfs/dbraw/zinc/88/34/85/566883485.db2.gz FSXJKLDWPKQDSX-UHFFFAOYSA-N -1 3 382.507 3.267 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000451806690 566883717 /nfs/dbraw/zinc/88/37/17/566883717.db2.gz FHAJOIXXJXVEIK-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000451801410 566883776 /nfs/dbraw/zinc/88/37/76/566883776.db2.gz LKCCGFKGEHGYDB-UHFFFAOYSA-N -1 3 388.198 3.224 20 0 GGADHM COC[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(Cl)cc1 ZINC000451805188 566883952 /nfs/dbraw/zinc/88/39/52/566883952.db2.gz CIDHBXBBAAMBLO-GFCCVEGCSA-N -1 3 375.277 3.097 20 0 GGADHM O=S(=O)([N-]Cc1cnc(-c2ccc(Cl)cc2)s1)c1cncc(F)c1 ZINC000582671227 566884205 /nfs/dbraw/zinc/88/42/05/566884205.db2.gz WVAWHOKURVYDCB-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000611015202 566884385 /nfs/dbraw/zinc/88/43/85/566884385.db2.gz JVYXVDYRVZFXRP-UHFFFAOYSA-N -1 3 383.466 3.031 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000451809173 566885390 /nfs/dbraw/zinc/88/53/90/566885390.db2.gz LXJNLJJAUYOGGK-UHFFFAOYSA-N -1 3 375.313 3.125 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000582688450 566885371 /nfs/dbraw/zinc/88/53/71/566885371.db2.gz ZKKUQOBBCCDVGK-UHFFFAOYSA-N -1 3 380.491 3.174 20 0 GGADHM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000451812079 566885536 /nfs/dbraw/zinc/88/55/36/566885536.db2.gz QMOMRLXKLHJCND-UHFFFAOYSA-N -1 3 388.198 3.224 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc3cc(Br)ccc3o2)cc1OC(F)F ZINC000490925217 566885672 /nfs/dbraw/zinc/88/56/72/566885672.db2.gz IQOBTJCHKOSWPX-UHFFFAOYSA-N -1 3 386.152 3.204 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000490924534 566885919 /nfs/dbraw/zinc/88/59/19/566885919.db2.gz HBNKYYAELSZLLV-ZJUUUORDSA-N -1 3 376.190 3.492 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1OC(F)F ZINC000490926881 566886024 /nfs/dbraw/zinc/88/60/24/566886024.db2.gz MSJNZEPPQNGSCI-DTWKUNHWSA-N -1 3 376.190 3.492 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000632465120 566886078 /nfs/dbraw/zinc/88/60/78/566886078.db2.gz IDUFOTQLIYFBHR-VIFPVBQESA-N -1 3 399.925 3.283 20 0 GGADHM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000451809097 566886195 /nfs/dbraw/zinc/88/61/95/566886195.db2.gz LUHRTNOAJNRPSI-UHFFFAOYSA-N -1 3 388.198 3.224 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000451814891 566886479 /nfs/dbraw/zinc/88/64/79/566886479.db2.gz YJOPKDGNBZLNIP-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000490924315 566886522 /nfs/dbraw/zinc/88/65/22/566886522.db2.gz HBNKYYAELSZLLV-VHSXEESVSA-N -1 3 376.190 3.492 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(Cl)ccc2Br)cc1OC(F)F ZINC000490942515 566886537 /nfs/dbraw/zinc/88/65/37/566886537.db2.gz RFXFMWWRDBEEFP-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)n1 ZINC000632465177 566886579 /nfs/dbraw/zinc/88/65/79/566886579.db2.gz JTSCPCIRDGSTKQ-NXEZZACHSA-N -1 3 387.552 3.004 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000451813414 566886519 /nfs/dbraw/zinc/88/65/19/566886519.db2.gz IRNBMHPTOSKQNQ-UHFFFAOYSA-N -1 3 375.849 3.439 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCN1CCCCC1=O ZINC000470609631 566887212 /nfs/dbraw/zinc/88/72/12/566887212.db2.gz WZRKLOVEDWWYDF-UHFFFAOYSA-N -1 3 384.885 3.076 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451819616 566887297 /nfs/dbraw/zinc/88/72/97/566887297.db2.gz BBCUEDIECWYTPP-RYUDHWBXSA-N -1 3 397.871 3.467 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000470608094 566887449 /nfs/dbraw/zinc/88/74/49/566887449.db2.gz DXXOINKASGQXJH-LBPRGKRZSA-N -1 3 384.885 3.072 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1ccccn1 ZINC000611079242 566887704 /nfs/dbraw/zinc/88/77/04/566887704.db2.gz UOSDJRRMUFRQFC-OAHLLOKOSA-N -1 3 382.869 3.341 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(C)cc21 ZINC000611079211 566888225 /nfs/dbraw/zinc/88/82/25/566888225.db2.gz MLKKHNLJKMXZCT-MRXNPFEDSA-N -1 3 379.865 3.401 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1nc(C(F)(F)F)no1 ZINC000632479357 566888525 /nfs/dbraw/zinc/88/85/25/566888525.db2.gz BSVXMRMMMBBLPH-LURJTMIESA-N -1 3 387.742 3.062 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451823561 566888830 /nfs/dbraw/zinc/88/88/30/566888830.db2.gz NOZVAHOCROABLT-SNVBAGLBSA-N -1 3 389.445 3.402 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCCC[C@@H]1C(N)=O ZINC000470614926 566889002 /nfs/dbraw/zinc/88/90/02/566889002.db2.gz XSNKMHJABYHTIU-JSGCOSHPSA-N -1 3 384.885 3.107 20 0 GGADHM O=C(CCN=c1ncc2scc(Br)c2[n-]1)N1CCCCCC1 ZINC000582736359 566889069 /nfs/dbraw/zinc/88/90/69/566889069.db2.gz YADXCDAGUFDKSQ-UHFFFAOYSA-N -1 3 383.315 3.080 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCC[C@H](F)C1 ZINC000518538807 566890171 /nfs/dbraw/zinc/89/01/71/566890171.db2.gz QYNAISNHVKQMGO-QWRGUYRKSA-N -1 3 397.299 3.059 20 0 GGADHM Cn1[n-]c(=NC(=O)c2ccc(Cl)cc2Br)cc1OC(F)F ZINC000491017241 566890306 /nfs/dbraw/zinc/89/03/06/566890306.db2.gz FPXHIZBQWSLYNF-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@]1(N(C)C)CCSC1 ZINC000470624762 566890414 /nfs/dbraw/zinc/89/04/14/566890414.db2.gz XXXAENMFYIVFNP-MRXNPFEDSA-N -1 3 388.942 3.110 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)no2)sc1Cl ZINC000632480855 566890803 /nfs/dbraw/zinc/89/08/03/566890803.db2.gz ZUTOJABWUVMPEC-YFKPBYRVSA-N -1 3 375.781 3.151 20 0 GGADHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000582761268 566891090 /nfs/dbraw/zinc/89/10/90/566891090.db2.gz RYKCCRFPKBPJLJ-UHFFFAOYSA-N -1 3 381.523 3.284 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000680092125 566891016 /nfs/dbraw/zinc/89/10/16/566891016.db2.gz ASWRZWVPWHAELS-LBPRGKRZSA-N -1 3 394.356 3.412 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000563523080 566891347 /nfs/dbraw/zinc/89/13/47/566891347.db2.gz GEIXHRZGOFIWKE-NWANDNLSSA-N -1 3 391.892 3.314 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCSCC(C)C)s1 ZINC000611118332 566891737 /nfs/dbraw/zinc/89/17/37/566891737.db2.gz OSBQSOUBHSACKH-GFCCVEGCSA-N -1 3 378.585 3.003 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C3CC3)cc2)s1 ZINC000563533283 566892564 /nfs/dbraw/zinc/89/25/64/566892564.db2.gz BJMQIBQSRAHWRL-LBPRGKRZSA-N -1 3 378.519 3.301 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@H]1COCc2ccccc21 ZINC000563530022 566893720 /nfs/dbraw/zinc/89/37/20/566893720.db2.gz BHFUXDSSFNGRSI-INIZCTEOSA-N -1 3 382.279 3.140 20 0 GGADHM CC(C)n1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000632529501 566894002 /nfs/dbraw/zinc/89/40/02/566894002.db2.gz NEYIIPILZNMKFC-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1ccc(F)cc1Cl ZINC000543621692 566894370 /nfs/dbraw/zinc/89/43/70/566894370.db2.gz YULUEGDBLRLZMI-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1COc2cc(F)cc(F)c21 ZINC000680127245 566895249 /nfs/dbraw/zinc/89/52/49/566895249.db2.gz VKMTZRDFLPKZHH-LBPRGKRZSA-N -1 3 399.191 3.366 20 0 GGADHM O=S(=O)(C[C@H]1CCC(F)(F)C1)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000632570826 566895713 /nfs/dbraw/zinc/89/57/13/566895713.db2.gz ZINSTBVRVYRDLG-CABZTGNLSA-N -1 3 388.263 3.382 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)cc1Cl ZINC000451856294 566895759 /nfs/dbraw/zinc/89/57/59/566895759.db2.gz PIUFTRCTIAUGNW-BZNIZROVSA-N -1 3 394.320 3.077 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]([C@H](CO)C3CC3)C3CC3)s2)cs1 ZINC000451854209 566895803 /nfs/dbraw/zinc/89/58/03/566895803.db2.gz MUNDNHWATBKMOY-CXAGYDPISA-N -1 3 398.575 3.255 20 0 GGADHM O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2[N-]C(=O)CCC2=O)cc1 ZINC000518648785 566897095 /nfs/dbraw/zinc/89/70/95/566897095.db2.gz RBTJEVXIDPFVJK-UHFFFAOYSA-N -1 3 378.215 3.404 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000543666996 566898571 /nfs/dbraw/zinc/89/85/71/566898571.db2.gz BRSGNNGEPUCWMP-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000543666999 566899315 /nfs/dbraw/zinc/89/93/15/566899315.db2.gz BRSGNNGEPUCWMP-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM O=C(Cc1ccc2c(c1)CCCO2)NCc1ccc([O-])c(Br)c1 ZINC000582850050 566900546 /nfs/dbraw/zinc/90/05/46/566900546.db2.gz WQHOHNPOOUBNPC-UHFFFAOYSA-N -1 3 376.250 3.339 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1CCC(OC)CC1 ZINC000543689699 566901608 /nfs/dbraw/zinc/90/16/08/566901608.db2.gz YKWIPGVFFWWATN-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000632650482 566901653 /nfs/dbraw/zinc/90/16/53/566901653.db2.gz LJGBPRYNMMIQHR-QMMMGPOBSA-N -1 3 385.898 3.029 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1cnc(C)s1 ZINC000632650477 566902195 /nfs/dbraw/zinc/90/21/95/566902195.db2.gz LFTMJUIUBCZCRM-MRVPVSSYSA-N -1 3 391.312 3.262 20 0 GGADHM CCOc1cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)cc(Cl)c1[O-] ZINC000656450581 566902637 /nfs/dbraw/zinc/90/26/37/566902637.db2.gz XUEFBLNLVIZFNZ-UHFFFAOYSA-N -1 3 387.929 3.378 20 0 GGADHM NC(=O)C1(c2ccccc2)CCN(Cc2cccc([O-])c2Br)CC1 ZINC000656440817 566902725 /nfs/dbraw/zinc/90/27/25/566902725.db2.gz FZMXNJRWAVYOSP-UHFFFAOYSA-N -1 3 389.293 3.174 20 0 GGADHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000470764857 566903819 /nfs/dbraw/zinc/90/38/19/566903819.db2.gz ITEKOKHWDKXUQA-VIFPVBQESA-N -1 3 387.807 3.225 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)s1 ZINC000543729465 566905801 /nfs/dbraw/zinc/90/58/01/566905801.db2.gz CRPJAMDIBDNDGP-UHFFFAOYSA-N -1 3 382.536 3.232 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)o1 ZINC000632682488 566906857 /nfs/dbraw/zinc/90/68/57/566906857.db2.gz DTZNMAFIFOMAAA-ZDUSSCGKSA-N -1 3 385.869 3.135 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1cccc(Cl)c1Br ZINC000582940610 566906925 /nfs/dbraw/zinc/90/69/25/566906925.db2.gz DOQFOZJGDYLMBH-UHFFFAOYSA-N -1 3 392.706 3.058 20 0 GGADHM O=C(NC1CCN(C2CC2)CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000582933564 566907721 /nfs/dbraw/zinc/90/77/21/566907721.db2.gz JVDJBCRPTVJQLW-UHFFFAOYSA-N -1 3 390.281 3.060 20 0 GGADHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491511182 566908326 /nfs/dbraw/zinc/90/83/26/566908326.db2.gz CJUZLFUYFAXBSI-KRWDZBQOSA-N -1 3 375.918 3.348 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000491558582 566910116 /nfs/dbraw/zinc/91/01/16/566910116.db2.gz GITLDQVELZQDNI-UHFFFAOYSA-N -1 3 387.929 3.350 20 0 GGADHM C[C@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)c1nccs1 ZINC000518962869 566910615 /nfs/dbraw/zinc/91/06/15/566910615.db2.gz MYZAKHUAPCQCLD-ZJUUUORDSA-N -1 3 398.897 3.371 20 0 GGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000563726707 566911201 /nfs/dbraw/zinc/91/12/01/566911201.db2.gz WKXAVVBHWSHZSR-JTQLQIEISA-N -1 3 387.395 3.190 20 0 GGADHM C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000582982220 566911788 /nfs/dbraw/zinc/91/17/88/566911788.db2.gz QYFUVKOLCPJNHO-LBPRGKRZSA-N -1 3 386.249 3.366 20 0 GGADHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491592378 566911856 /nfs/dbraw/zinc/91/18/56/566911856.db2.gz UWZGTJKZQVPWJG-TZMCWYRMSA-N -1 3 393.958 3.318 20 0 GGADHM CCCN(CCN(C)C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000582995076 566912081 /nfs/dbraw/zinc/91/20/81/566912081.db2.gz FTDCAZJTQFCVRJ-UHFFFAOYSA-N -1 3 380.286 3.117 20 0 GGADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000611343064 566912212 /nfs/dbraw/zinc/91/22/12/566912212.db2.gz PSOJSNVDMNSNII-UHFFFAOYSA-N -1 3 381.416 3.496 20 0 GGADHM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491611162 566912600 /nfs/dbraw/zinc/91/26/00/566912600.db2.gz XTOHTUQXMGSQRZ-MSOLQXFVSA-N -1 3 387.929 3.348 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1ccc(Br)c(F)c1 ZINC000563759008 566913990 /nfs/dbraw/zinc/91/39/90/566913990.db2.gz XPNZLFPKKLBOJO-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491718366 566914401 /nfs/dbraw/zinc/91/44/01/566914401.db2.gz GNJOZWHSHMGXDU-HNNXBMFYSA-N -1 3 375.918 3.204 20 0 GGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000451964597 566914426 /nfs/dbraw/zinc/91/44/26/566914426.db2.gz BMODBYFGBLOVFM-SDBXPKJASA-N -1 3 382.707 3.194 20 0 GGADHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491718367 566914567 /nfs/dbraw/zinc/91/45/67/566914567.db2.gz GNJOZWHSHMGXDU-OAHLLOKOSA-N -1 3 375.918 3.204 20 0 GGADHM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451964014 566915123 /nfs/dbraw/zinc/91/51/23/566915123.db2.gz JOSLPSVICHPJJG-VIFPVBQESA-N -1 3 381.807 3.002 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1F)c1c(F)cccc1OC(F)(F)F ZINC000519014967 566915255 /nfs/dbraw/zinc/91/52/55/566915255.db2.gz WWXPNVARFMKERZ-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000491682028 566915748 /nfs/dbraw/zinc/91/57/48/566915748.db2.gz XISVJLZDPMHLGB-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000451966540 566916653 /nfs/dbraw/zinc/91/66/53/566916653.db2.gz MEBGMDZDPVEBEI-SECBINFHSA-N -1 3 381.807 3.002 20 0 GGADHM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000451966541 566916846 /nfs/dbraw/zinc/91/68/46/566916846.db2.gz MEBGMDZDPVEBEI-VIFPVBQESA-N -1 3 381.807 3.002 20 0 GGADHM Cc1ccnc([C@H](NC(=O)Cc2ccc(Br)cc2[O-])C2CC2)n1 ZINC000491922491 566919216 /nfs/dbraw/zinc/91/92/16/566919216.db2.gz VOUPKRDNERMIKG-MRXNPFEDSA-N -1 3 376.254 3.063 20 0 GGADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3sccc3S(C)(=O)=O)sc21 ZINC000470976098 566919941 /nfs/dbraw/zinc/91/99/41/566919941.db2.gz JZXRHKXZVASTTR-UHFFFAOYSA-N -1 3 391.446 3.290 20 0 GGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000452001295 566920995 /nfs/dbraw/zinc/92/09/95/566920995.db2.gz XTXJPOCWMGODSU-SDBXPKJASA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000452001292 566921001 /nfs/dbraw/zinc/92/10/01/566921001.db2.gz XTXJPOCWMGODSU-AMIZOPFISA-N -1 3 382.707 3.194 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000452000249 566921128 /nfs/dbraw/zinc/92/11/28/566921128.db2.gz YHAUNQMWBULJQI-AWEZNQCLSA-N -1 3 396.317 3.250 20 0 GGADHM C[C@H](N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000583113175 566921173 /nfs/dbraw/zinc/92/11/73/566921173.db2.gz ZRKSWANZFSZISH-JTQLQIEISA-N -1 3 381.325 3.165 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3n2C)cc1F ZINC000491975552 566921482 /nfs/dbraw/zinc/92/14/82/566921482.db2.gz DKCIAQXHBPKTGC-UHFFFAOYSA-N -1 3 385.823 3.292 20 0 GGADHM O=S(=O)([N-][C@@H]1COCc2ccccc21)c1cc(Cl)ccc1OC(F)F ZINC000563838830 566921905 /nfs/dbraw/zinc/92/19/05/566921905.db2.gz IMUDVNIOWWRWOX-CYBMUJFWSA-N -1 3 389.807 3.491 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000583106895 566921874 /nfs/dbraw/zinc/92/18/74/566921874.db2.gz VKDZEZVHAQMVER-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1Br ZINC000452010700 566922688 /nfs/dbraw/zinc/92/26/88/566922688.db2.gz BOGSUSMXUIGOJQ-SNVBAGLBSA-N -1 3 382.707 3.198 20 0 GGADHM COc1ccc(CNc2ccc3c(c2)C(=O)NCC3)c(Br)c1[O-] ZINC000680627692 566922896 /nfs/dbraw/zinc/92/28/96/566922896.db2.gz PUSOTEQSNVMYNH-UHFFFAOYSA-N -1 3 377.238 3.061 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2)C1CCCC1 ZINC000656616409 566922898 /nfs/dbraw/zinc/92/28/98/566922898.db2.gz VBCCAYVMPBQDJN-KRWDZBQOSA-N -1 3 389.901 3.448 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000656613868 566923322 /nfs/dbraw/zinc/92/33/22/566923322.db2.gz BFCYPSIDBIPTNR-TVQRCGJNSA-N -1 3 387.807 3.152 20 0 GGADHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000452034077 566924014 /nfs/dbraw/zinc/92/40/14/566924014.db2.gz RNUKCNQIYRKEBS-UHFFFAOYSA-N -1 3 384.723 3.178 20 0 GGADHM CSc1nnc(NC(=O)c2cc(I)ccc2Cl)[n-]1 ZINC000471045853 566924465 /nfs/dbraw/zinc/92/44/65/566924465.db2.gz YMQKSXJKQWLVPS-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cc(I)ccc2Cl)n1 ZINC000471045853 566924472 /nfs/dbraw/zinc/92/44/72/566924472.db2.gz YMQKSXJKQWLVPS-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1nc(NC(=O)c2cc(I)ccc2Cl)n[n-]1 ZINC000471045853 566924474 /nfs/dbraw/zinc/92/44/74/566924474.db2.gz YMQKSXJKQWLVPS-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)cc1Cl ZINC000656619869 566924658 /nfs/dbraw/zinc/92/46/58/566924658.db2.gz UXAZFOFCQOZKKK-KRWDZBQOSA-N -1 3 391.917 3.312 20 0 GGADHM COc1ccc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c(Br)c1[O-] ZINC000680649454 566924687 /nfs/dbraw/zinc/92/46/87/566924687.db2.gz BSFIQUUUFCMVIN-CYBMUJFWSA-N -1 3 396.285 3.077 20 0 GGADHM COc1cc(Br)ccc1CCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000543954418 566924766 /nfs/dbraw/zinc/92/47/66/566924766.db2.gz VTIISFQIXUPZEK-UHFFFAOYSA-N -1 3 393.163 3.166 20 0 GGADHM COc1cc(Br)ccc1CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000543954418 566924772 /nfs/dbraw/zinc/92/47/72/566924772.db2.gz VTIISFQIXUPZEK-UHFFFAOYSA-N -1 3 393.163 3.166 20 0 GGADHM COc1ccc(CN2CCN(c3ccc(O)cc3)CC2)c(Br)c1[O-] ZINC000680650898 566924828 /nfs/dbraw/zinc/92/48/28/566924828.db2.gz PUQSCJAIAIKWDN-UHFFFAOYSA-N -1 3 393.281 3.191 20 0 GGADHM CCC(CC)C(=O)N1CCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000680651423 566925346 /nfs/dbraw/zinc/92/53/46/566925346.db2.gz VPROYQBUYLCAQB-UHFFFAOYSA-N -1 3 399.329 3.244 20 0 GGADHM CSc1cc2c(cc1[N-]S(=O)(=O)CCc1ccccc1F)OCCO2 ZINC000656620878 566925381 /nfs/dbraw/zinc/92/53/81/566925381.db2.gz KDNPMJURTJIJRB-UHFFFAOYSA-N -1 3 383.466 3.303 20 0 GGADHM COc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)c(Cl)c1 ZINC000680674268 566926510 /nfs/dbraw/zinc/92/65/10/566926510.db2.gz ZPNYEMGEQBEMEH-UHFFFAOYSA-N -1 3 379.825 3.437 20 0 GGADHM CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000583172278 566927226 /nfs/dbraw/zinc/92/72/26/566927226.db2.gz APBSHTMMJBTQAS-UHFFFAOYSA-N -1 3 382.869 3.232 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543998560 566927912 /nfs/dbraw/zinc/92/79/12/566927912.db2.gz RROYUFLGOIOBRF-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cnc(C)cc2C)cc1Cl ZINC000452049994 566927931 /nfs/dbraw/zinc/92/79/31/566927931.db2.gz VHHWCGMJJXYXFB-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000543998978 566928103 /nfs/dbraw/zinc/92/81/03/566928103.db2.gz VRUWLRLJOMOMOX-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@H]2CCc3ccccc32)no1)c1ccc(Cl)s1 ZINC000680746436 566929522 /nfs/dbraw/zinc/92/95/22/566929522.db2.gz LHTKQIQBKJNBDL-LBPRGKRZSA-N -1 3 395.893 3.341 20 0 GGADHM O=C(Nc1ncccc1[O-])C1(c2ccc(Br)cc2)CCOCC1 ZINC000544024971 566929789 /nfs/dbraw/zinc/92/97/89/566929789.db2.gz YPPYJJAAKXQECV-UHFFFAOYSA-N -1 3 377.238 3.237 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cccc(Br)c1F ZINC000544025859 566930112 /nfs/dbraw/zinc/93/01/12/566930112.db2.gz ZFWFBRZPFLEGOC-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM COCCOc1c(Cl)cc([N-]C(=O)c2cc(C(=O)OC)no2)cc1Cl ZINC000611592652 566930308 /nfs/dbraw/zinc/93/03/08/566930308.db2.gz SLPZXVJHKYEYEY-UHFFFAOYSA-N -1 3 389.191 3.046 20 0 GGADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1cc(F)c(F)c(F)c1 ZINC000452074992 566930439 /nfs/dbraw/zinc/93/04/39/566930439.db2.gz BMFMISWHCMVKLI-HNNXBMFYSA-N -1 3 391.436 3.348 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)on1 ZINC000611588735 566930662 /nfs/dbraw/zinc/93/06/62/566930662.db2.gz NBGNSBOWRQZWIS-UHFFFAOYSA-N -1 3 393.115 3.495 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc([O-])ccc1Cl ZINC000563948353 566931555 /nfs/dbraw/zinc/93/15/55/566931555.db2.gz AUOOQLULTCVQHA-UHFFFAOYSA-N -1 3 380.853 3.082 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452083501 566931984 /nfs/dbraw/zinc/93/19/84/566931984.db2.gz JYYWFSDIIGJTGA-INIZCTEOSA-N -1 3 387.473 3.350 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452083502 566932043 /nfs/dbraw/zinc/93/20/43/566932043.db2.gz JYYWFSDIIGJTGA-MRXNPFEDSA-N -1 3 387.473 3.350 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc2cc(Cl)ccc21 ZINC000492379500 566933401 /nfs/dbraw/zinc/93/34/01/566933401.db2.gz XBTODPIDSNMSLR-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)ccc1N1CCOCC1 ZINC000519355255 566934661 /nfs/dbraw/zinc/93/46/61/566934661.db2.gz QCZFXDSARUINAB-UHFFFAOYSA-N -1 3 395.228 3.383 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CCO)C2CCOCC2)c1Cl ZINC000680858006 566936715 /nfs/dbraw/zinc/93/67/15/566936715.db2.gz SCZTUXIYQVPLTF-AWEZNQCLSA-N -1 3 396.336 3.066 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000680855096 566937118 /nfs/dbraw/zinc/93/71/18/566937118.db2.gz HAMFTTVVNQJLIZ-UHFFFAOYSA-N -1 3 380.294 3.141 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c(Cl)c1Cl ZINC000544100095 566937533 /nfs/dbraw/zinc/93/75/33/566937533.db2.gz RCBVOZOOBJPAAC-MNOVXSKESA-N -1 3 382.309 3.486 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCc2coc(-c3ccc(C)cc3)n2)s1 ZINC000680858942 566938208 /nfs/dbraw/zinc/93/82/08/566938208.db2.gz NMIBTIIYLVALGH-UHFFFAOYSA-N -1 3 377.491 3.190 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](COC)c2cccc(C(F)(F)F)c2)s1 ZINC000680858139 566938601 /nfs/dbraw/zinc/93/86/01/566938601.db2.gz PJYVQYCJBHXJPT-LBPRGKRZSA-N -1 3 394.440 3.390 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493130228 566944101 /nfs/dbraw/zinc/94/41/01/566944101.db2.gz GVVFTBXQBQADTF-VHSXEESVSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000519412471 566938612 /nfs/dbraw/zinc/93/86/12/566938612.db2.gz SSGHFFVNCNVFDJ-LBPRGKRZSA-N -1 3 399.310 3.152 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CCC(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000519431008 566938903 /nfs/dbraw/zinc/93/89/03/566938903.db2.gz NPYHXRHUYHQHLB-UHFFFAOYSA-N -1 3 394.305 3.065 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccnc(C)c1 ZINC000656727145 566939315 /nfs/dbraw/zinc/93/93/15/566939315.db2.gz KNEMYDJUHFWKMA-UHFFFAOYSA-N -1 3 385.283 3.164 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccncc1C ZINC000656728232 566939371 /nfs/dbraw/zinc/93/93/71/566939371.db2.gz TYMMUNDZRDAHFM-UHFFFAOYSA-N -1 3 385.283 3.164 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2CC(F)(F)C2)no1 ZINC000564046148 566939426 /nfs/dbraw/zinc/93/94/26/566939426.db2.gz POIAWSUZGHVFJA-VIFPVBQESA-N -1 3 391.827 3.350 20 0 GGADHM CS[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000544104576 566939498 /nfs/dbraw/zinc/93/94/98/566939498.db2.gz LONFWKAXDZZFRQ-CQSZACIVSA-N -1 3 396.937 3.494 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(F)cc1F ZINC000519446145 566939824 /nfs/dbraw/zinc/93/98/24/566939824.db2.gz WTGHSCNIUFIZTE-CYBMUJFWSA-N -1 3 389.449 3.199 20 0 GGADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000519412470 566939989 /nfs/dbraw/zinc/93/99/89/566939989.db2.gz SSGHFFVNCNVFDJ-GFCCVEGCSA-N -1 3 399.310 3.152 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000564062482 566940342 /nfs/dbraw/zinc/94/03/42/566940342.db2.gz ZAPJUMLOYAJHEW-UHFFFAOYSA-N -1 3 387.841 3.400 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O)C1CCCCC1 ZINC000656731331 566940662 /nfs/dbraw/zinc/94/06/62/566940662.db2.gz NVLOBLIBHXMLBD-ZDUSSCGKSA-N -1 3 382.404 3.143 20 0 GGADHM Cc1cnc(-c2cnn(C)c2[N-]S(=O)(=O)CCc2ccccc2Cl)o1 ZINC000656735217 566942474 /nfs/dbraw/zinc/94/24/74/566942474.db2.gz CGKWQNNLANXVLY-UHFFFAOYSA-N -1 3 380.857 3.021 20 0 GGADHM C[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccccc1Br ZINC000429635894 566942499 /nfs/dbraw/zinc/94/24/99/566942499.db2.gz NLIWONFLSOKPFW-MRVPVSSYSA-N -1 3 389.200 3.089 20 0 GGADHM Cn1[n-]c(=NC(=O)NC(C)(C)c2cccc(Cl)c2F)cc1OC(F)F ZINC000429624956 566942865 /nfs/dbraw/zinc/94/28/65/566942865.db2.gz CAYDMVNFTXAEKY-UHFFFAOYSA-N -1 3 376.766 3.293 20 0 GGADHM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000471287108 566943016 /nfs/dbraw/zinc/94/30/16/566943016.db2.gz HSBGVOLVVFDKAV-DTWKUNHWSA-N -1 3 382.251 3.009 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCc2c(Br)ccc(F)c2C1 ZINC000583340208 566943120 /nfs/dbraw/zinc/94/31/20/566943120.db2.gz DKLRISRANMPFLV-UHFFFAOYSA-N -1 3 389.228 3.248 20 0 GGADHM Cn1[n-]c(=NC(=O)NCCc2cccc(Cl)c2Cl)cc1OC(F)F ZINC000429629916 566943157 /nfs/dbraw/zinc/94/31/57/566943157.db2.gz KMNTYMSOXUPNSL-UHFFFAOYSA-N -1 3 379.194 3.114 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)N(C)CC)c1)C(F)(F)F ZINC000564082976 566943421 /nfs/dbraw/zinc/94/34/21/566943421.db2.gz IAFRTKBLOHXFSR-FZMZJTMJSA-N -1 3 380.432 3.034 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493130226 566943556 /nfs/dbraw/zinc/94/35/56/566943556.db2.gz GVVFTBXQBQADTF-NXEZZACHSA-N -1 3 382.707 3.338 20 0 GGADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000471287110 566943493 /nfs/dbraw/zinc/94/34/93/566943493.db2.gz HSBGVOLVVFDKAV-RKDXNWHRSA-N -1 3 382.251 3.009 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429661537 566943965 /nfs/dbraw/zinc/94/39/65/566943965.db2.gz PTFSWNFKKNNHCH-UHFFFAOYSA-N -1 3 379.194 3.414 20 0 GGADHM CCN(C(C)=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cn1 ZINC000656738963 566944095 /nfs/dbraw/zinc/94/40/95/566944095.db2.gz NMUQWPHSPNMUMJ-UHFFFAOYSA-N -1 3 381.885 3.092 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc1OC(F)F ZINC000429658335 566944210 /nfs/dbraw/zinc/94/42/10/566944210.db2.gz HOVNIJJIYAGUHX-QMMMGPOBSA-N -1 3 393.177 3.005 20 0 GGADHM Cn1[n-]c(=NC(=O)NCCc2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000429644190 566944460 /nfs/dbraw/zinc/94/44/60/566944460.db2.gz HODBCSAYXMGWJY-UHFFFAOYSA-N -1 3 379.194 3.114 20 0 GGADHM CN1CCC[C@]2(CCN(C(=O)c3cc(Cl)cc(Br)c3[O-])C2)C1 ZINC000452158516 566944612 /nfs/dbraw/zinc/94/46/12/566944612.db2.gz ZWCSMHULWCRQCO-INIZCTEOSA-N -1 3 387.705 3.366 20 0 GGADHM Cn1[n-]c(=NC(=O)NCCc2c(Cl)cccc2Cl)cc1OC(F)F ZINC000429649615 566944534 /nfs/dbraw/zinc/94/45/34/566944534.db2.gz NNNFVBPVRNJZMX-UHFFFAOYSA-N -1 3 379.194 3.114 20 0 GGADHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)cc1 ZINC000429647815 566944934 /nfs/dbraw/zinc/94/49/34/566944934.db2.gz SMRXBXNMXBNMPE-QMMMGPOBSA-N -1 3 389.200 3.089 20 0 GGADHM CCN(C(C)=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cn1 ZINC000656738891 566945049 /nfs/dbraw/zinc/94/50/49/566945049.db2.gz LKUJPNUYSHZHSB-UHFFFAOYSA-N -1 3 385.848 3.189 20 0 GGADHM Brc1csc2cnc(=NCc3ccnc(N4CCCC4)c3)[n-]c12 ZINC000564099714 566945108 /nfs/dbraw/zinc/94/51/08/566945108.db2.gz NDQKWUTYOGPBIE-UHFFFAOYSA-N -1 3 390.310 3.483 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Br)c(F)cc1F ZINC000429726871 566946301 /nfs/dbraw/zinc/94/63/01/566946301.db2.gz ARYYVZPGHOMOSM-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Br)c(F)cc1F ZINC000429726871 566946308 /nfs/dbraw/zinc/94/63/08/566946308.db2.gz ARYYVZPGHOMOSM-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000544189453 566946827 /nfs/dbraw/zinc/94/68/27/566946827.db2.gz GLVFYOMNOIIGHL-DTWKUNHWSA-N -1 3 387.807 3.225 20 0 GGADHM C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1F)N1CCCCC1 ZINC000544186593 566946851 /nfs/dbraw/zinc/94/68/51/566946851.db2.gz GGZMXMADOUDKHF-GFCCVEGCSA-N -1 3 393.322 3.131 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)s1 ZINC000681014069 566946857 /nfs/dbraw/zinc/94/68/57/566946857.db2.gz FLWJWJUYGNCWSJ-ZWNOBZJWSA-N -1 3 384.548 3.363 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)s1 ZINC000681014068 566947466 /nfs/dbraw/zinc/94/74/66/566947466.db2.gz FLWJWJUYGNCWSJ-MFKMUULPSA-N -1 3 384.548 3.363 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)s1 ZINC000681014067 566947658 /nfs/dbraw/zinc/94/76/58/566947658.db2.gz FLWJWJUYGNCWSJ-GXFFZTMASA-N -1 3 384.548 3.363 20 0 GGADHM CC(C)N(CCN(C)C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471315473 566947695 /nfs/dbraw/zinc/94/76/95/566947695.db2.gz FICGXBABBJRFMX-UHFFFAOYSA-N -1 3 385.896 3.223 20 0 GGADHM CCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000429751387 566947774 /nfs/dbraw/zinc/94/77/74/566947774.db2.gz KNWRPNFEHNTJBI-UHFFFAOYSA-N -1 3 381.420 3.085 20 0 GGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(CSC)cc3)no2)c(C)o1 ZINC000544211080 566948026 /nfs/dbraw/zinc/94/80/26/566948026.db2.gz QIPBLNBRQICTLJ-UHFFFAOYSA-N -1 3 379.463 3.076 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(N(C)C)c1 ZINC000564138265 566948811 /nfs/dbraw/zinc/94/88/11/566948811.db2.gz GFNSLYCDMPLZKM-UHFFFAOYSA-N -1 3 382.869 3.135 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493535115 566949434 /nfs/dbraw/zinc/94/94/34/566949434.db2.gz ZBSSZDVYYVJEJL-UHFFFAOYSA-N -1 3 395.750 3.113 20 0 GGADHM Cc1ncc(CNC(=O)CCc2cc(Cl)ccc2Br)c(=O)[n-]1 ZINC000544260472 566949976 /nfs/dbraw/zinc/94/99/76/566949976.db2.gz SEJCYMMDHPYXAE-UHFFFAOYSA-N -1 3 384.661 3.156 20 0 GGADHM Cc1ncc(CNC(=O)[C@H](C)Sc2ccc(Br)cc2)c(=O)[n-]1 ZINC000544263883 566950252 /nfs/dbraw/zinc/95/02/52/566950252.db2.gz MYLCSHVFNAMFNM-VIFPVBQESA-N -1 3 382.283 3.050 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)OC ZINC000493576733 566951096 /nfs/dbraw/zinc/95/10/96/566951096.db2.gz WMVLFTYBFGFBNP-ZDUSSCGKSA-N -1 3 398.706 3.113 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000493577911 566951207 /nfs/dbraw/zinc/95/12/07/566951207.db2.gz YLJJQBISWHHECK-LLVKDONJSA-N -1 3 395.750 3.113 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000429814734 566951617 /nfs/dbraw/zinc/95/16/17/566951617.db2.gz NCZSMTKBEJLOGN-NSHDSACASA-N -1 3 395.750 3.113 20 0 GGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)c(F)cc2I)n1 ZINC000544325689 566952408 /nfs/dbraw/zinc/95/24/08/566952408.db2.gz WWMNEOPKRPXJCJ-UHFFFAOYSA-N -1 3 390.127 3.231 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nnnn1-c1ccccc1 ZINC000429815261 566952747 /nfs/dbraw/zinc/95/27/47/566952747.db2.gz PPWVQEURDXTYSY-JTQLQIEISA-N -1 3 398.275 3.009 20 0 GGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429816766 566953040 /nfs/dbraw/zinc/95/30/40/566953040.db2.gz HKUWDDAGHNXXCZ-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nnnn1-c1ccccc1 ZINC000429815262 566953211 /nfs/dbraw/zinc/95/32/11/566953211.db2.gz PPWVQEURDXTYSY-SNVBAGLBSA-N -1 3 398.275 3.009 20 0 GGADHM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000429816052 566953265 /nfs/dbraw/zinc/95/32/65/566953265.db2.gz XQVJLKLHVVXJNK-UHFFFAOYSA-N -1 3 387.288 3.010 20 0 GGADHM O=C(CCc1ncc[nH]1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000493694898 566953454 /nfs/dbraw/zinc/95/34/54/566953454.db2.gz YSZNVOHTBYSYBG-UHFFFAOYSA-N -1 3 394.660 3.209 20 0 GGADHM Cc1ccc([O-])c(NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)n1 ZINC000544346188 566954069 /nfs/dbraw/zinc/95/40/69/566954069.db2.gz LWNDFXVVQJKMSE-UHFFFAOYSA-N -1 3 375.841 3.281 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1cc(Cl)ccc1Br ZINC000429828845 566954773 /nfs/dbraw/zinc/95/47/73/566954773.db2.gz NBKHDJNFSQVVNY-CYBMUJFWSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1cccc(Cl)c1Br ZINC000493708154 566954902 /nfs/dbraw/zinc/95/49/02/566954902.db2.gz OXCKXECLSQYDEB-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000429839573 566955496 /nfs/dbraw/zinc/95/54/96/566955496.db2.gz SNIGZUVONCBNET-ZDUSSCGKSA-N -1 3 378.252 3.014 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl ZINC000429841974 566955523 /nfs/dbraw/zinc/95/55/23/566955523.db2.gz RYADQNWLIWVLNZ-ZDUSSCGKSA-N -1 3 399.299 3.357 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)n[nH]1 ZINC000681155638 566955684 /nfs/dbraw/zinc/95/56/84/566955684.db2.gz VUXZXHALPYYAAL-UHFFFAOYSA-N -1 3 399.097 3.266 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cccc(Br)c1F ZINC000544349551 566955954 /nfs/dbraw/zinc/95/59/54/566955954.db2.gz BYJQFSNNLOLAON-NSHDSACASA-N -1 3 392.290 3.358 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544350658 566956114 /nfs/dbraw/zinc/95/61/14/566956114.db2.gz KVAXQRACYTTYOO-MNOVXSKESA-N -1 3 380.279 3.072 20 0 GGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544348615 566956159 /nfs/dbraw/zinc/95/61/59/566956159.db2.gz QTITYZQFOCBZQC-JOYOIKCWSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429838990 566956323 /nfs/dbraw/zinc/95/63/23/566956323.db2.gz INMWRTSVUMOAGL-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429835900 566956360 /nfs/dbraw/zinc/95/63/60/566956360.db2.gz DDHPXZGMAXGLMK-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544349374 566956332 /nfs/dbraw/zinc/95/63/32/566956332.db2.gz SRPUZXGZHGTRLL-MRVPVSSYSA-N -1 3 391.262 3.275 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1ccc(Cl)cc1Br ZINC000544351547 566956442 /nfs/dbraw/zinc/95/64/42/566956442.db2.gz OSHKESVVRRDBPA-UHFFFAOYSA-N -1 3 392.706 3.058 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493841575 566956616 /nfs/dbraw/zinc/95/66/16/566956616.db2.gz GBFWAVDAAZLCIK-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429836662 566956520 /nfs/dbraw/zinc/95/65/20/566956520.db2.gz JAXQIAVDOHJMMZ-JTQLQIEISA-N -1 3 384.723 3.180 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1cc(Cl)ccc1Br ZINC000429840468 566956550 /nfs/dbraw/zinc/95/65/50/566956550.db2.gz BRZICYDCNNGECI-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)c1cc2ccccc2o1 ZINC000544371772 566957424 /nfs/dbraw/zinc/95/74/24/566957424.db2.gz VAOXIHIRQGACAS-JTQLQIEISA-N -1 3 378.837 3.225 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1Br ZINC000429848079 566957758 /nfs/dbraw/zinc/95/77/58/566957758.db2.gz DVWFFCVXIPHUMY-LLVKDONJSA-N -1 3 390.690 3.182 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429847837 566958000 /nfs/dbraw/zinc/95/80/00/566958000.db2.gz PDCTYNCMRMEQRL-KOLCDFICSA-N -1 3 382.707 3.338 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000656858823 566958042 /nfs/dbraw/zinc/95/80/42/566958042.db2.gz DOXSNZVMNLKGBO-UHFFFAOYSA-N -1 3 385.283 3.111 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429854038 566958265 /nfs/dbraw/zinc/95/82/65/566958265.db2.gz NNRBGGWCUMWCGU-DCVWQXJKSA-N -1 3 384.350 3.352 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCOC1 ZINC000493888802 566958278 /nfs/dbraw/zinc/95/82/78/566958278.db2.gz PTIYWIQRNQFLFX-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1(C)C ZINC000493887882 566958779 /nfs/dbraw/zinc/95/87/79/566958779.db2.gz IHKXKTMISBKZBK-MNOVXSKESA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493892085 566959088 /nfs/dbraw/zinc/95/90/88/566959088.db2.gz SGRSMIOPMSFXHC-CYBMUJFWSA-N -1 3 375.918 3.206 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)(C)C ZINC000493896501 566959110 /nfs/dbraw/zinc/95/91/10/566959110.db2.gz GVUXFDZOZOVURU-NSHDSACASA-N -1 3 384.723 3.442 20 0 GGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493896432 566959218 /nfs/dbraw/zinc/95/92/18/566959218.db2.gz GIUHCOTVRIMFKH-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]Cc1coc(-c2cccs2)n1)C1CCCCC1 ZINC000656866922 566959279 /nfs/dbraw/zinc/95/92/79/566959279.db2.gz FUEBIIZCTAVNMM-OAHLLOKOSA-N -1 3 384.523 3.418 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493890487 566959286 /nfs/dbraw/zinc/95/92/86/566959286.db2.gz DXQPIOZEFGGARO-NSHDSACASA-N -1 3 398.750 3.426 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)Nc1cccc(F)c1 ZINC000429862846 566959376 /nfs/dbraw/zinc/95/93/76/566959376.db2.gz ATWAMHHDHQJMEL-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(F)c3Cl)cc3c2N1CCC3 ZINC000583528647 566959417 /nfs/dbraw/zinc/95/94/17/566959417.db2.gz FFYWMQWZEOXNBA-UHFFFAOYSA-N -1 3 380.828 3.115 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1coc(-c2cccs2)n1)C1CCCCC1 ZINC000656866914 566959455 /nfs/dbraw/zinc/95/94/55/566959455.db2.gz FUEBIIZCTAVNMM-HNNXBMFYSA-N -1 3 384.523 3.418 20 0 GGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429865324 566959881 /nfs/dbraw/zinc/95/98/81/566959881.db2.gz HFJYVJSDABNKGH-JOYOIKCWSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1cccc(Cl)c1Br ZINC000493902017 566960072 /nfs/dbraw/zinc/96/00/72/566960072.db2.gz ZKGUQUJUBXKATN-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CN1C1CC1 ZINC000429874645 566960667 /nfs/dbraw/zinc/96/06/67/566960667.db2.gz WZZWPIUHPWBWNP-GXSJLCMTSA-N -1 3 393.734 3.006 20 0 GGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429869488 566960752 /nfs/dbraw/zinc/96/07/52/566960752.db2.gz FPPBIFZZPJYLLZ-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCCO1 ZINC000429869563 566960914 /nfs/dbraw/zinc/96/09/14/566960914.db2.gz QYODZNIPBRTVRV-SKDRFNHKSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1cc(Cl)ccc1Br ZINC000429870844 566960988 /nfs/dbraw/zinc/96/09/88/566960988.db2.gz JMFBMTCMJVKZKN-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1csc(=O)[n-]1 ZINC000471569400 566960887 /nfs/dbraw/zinc/96/08/87/566960887.db2.gz HAQHUJDADHOIRR-UHFFFAOYSA-N -1 3 393.774 3.232 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1)C1CCCC1 ZINC000656868836 566960879 /nfs/dbraw/zinc/96/08/79/566960879.db2.gz ODKLNXCWKHDWSS-QGZVFWFLSA-N -1 3 380.535 3.435 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 ZINC000493917155 566960947 /nfs/dbraw/zinc/96/09/47/566960947.db2.gz PJFWSKVUNZRGAR-SSDOTTSWSA-N -1 3 382.795 3.079 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC[C@H]1O ZINC000493917642 566961040 /nfs/dbraw/zinc/96/10/40/566961040.db2.gz SVKXVZIBRUWQER-OCCSQVGLSA-N -1 3 396.734 3.322 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429867689 566961255 /nfs/dbraw/zinc/96/12/55/566961255.db2.gz NVQVLNRUFOFIOA-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429866968 566961294 /nfs/dbraw/zinc/96/12/94/566961294.db2.gz KZZLSPALRSTPSS-TVQRCGJNSA-N -1 3 384.723 3.178 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC(F)(F)F ZINC000429873304 566961385 /nfs/dbraw/zinc/96/13/85/566961385.db2.gz RGDBZCXLKVPXNT-UHFFFAOYSA-N -1 3 379.231 3.156 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)c(C)o1 ZINC000493936991 566962249 /nfs/dbraw/zinc/96/22/49/566962249.db2.gz MHMKIUQUUFJZMU-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429886875 566962707 /nfs/dbraw/zinc/96/27/07/566962707.db2.gz HBXISBMBEKVVOU-UHFFFAOYSA-N -1 3 393.734 3.033 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493923793 566962716 /nfs/dbraw/zinc/96/27/16/566962716.db2.gz FBALILMHETWUDW-LLVKDONJSA-N -1 3 384.723 3.178 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)[C@@H]2CCCO[C@H]21 ZINC000681255474 566962859 /nfs/dbraw/zinc/96/28/59/566962859.db2.gz KOUTZQYXCZRIHF-ZLKJLUDKSA-N -1 3 392.290 3.070 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)CCCC1 ZINC000583569348 566962898 /nfs/dbraw/zinc/96/28/98/566962898.db2.gz XCNKSXZZBQWJSS-UHFFFAOYSA-N -1 3 396.292 3.477 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCOC1 ZINC000429882740 566962899 /nfs/dbraw/zinc/96/28/99/566962899.db2.gz UJCFSDXGKHONAV-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000493959959 566963789 /nfs/dbraw/zinc/96/37/89/566963789.db2.gz IFNSJSWRWLMPED-MNOVXSKESA-N -1 3 382.707 3.338 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429896298 566963841 /nfs/dbraw/zinc/96/38/41/566963841.db2.gz PUQHSRYATXKLDS-VXGBXAGGSA-N -1 3 397.871 3.467 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471597546 566964387 /nfs/dbraw/zinc/96/43/87/566964387.db2.gz FPLJHFNCJKSKAV-UHFFFAOYSA-N -1 3 399.694 3.485 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429899211 566964442 /nfs/dbraw/zinc/96/44/42/566964442.db2.gz IDVHXQZKWFYFDZ-SNVBAGLBSA-N -1 3 398.269 3.480 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCOCC ZINC000656881218 566964410 /nfs/dbraw/zinc/96/44/10/566964410.db2.gz SNNHDUPGXUFGJK-UHFFFAOYSA-N -1 3 394.331 3.333 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429896296 566964773 /nfs/dbraw/zinc/96/47/73/566964773.db2.gz PUQHSRYATXKLDS-NWDGAFQWSA-N -1 3 397.871 3.467 20 0 GGADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493976936 566965273 /nfs/dbraw/zinc/96/52/73/566965273.db2.gz LLOHXNSREBNZJX-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCCN1C ZINC000471627696 566966990 /nfs/dbraw/zinc/96/69/90/566966990.db2.gz KKHUCHZIOHQIFE-PRHODGIISA-N -1 3 399.713 3.003 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCCOC ZINC000656888928 566967216 /nfs/dbraw/zinc/96/72/16/566967216.db2.gz YBVKLMIJOWESHY-UHFFFAOYSA-N -1 3 394.331 3.333 20 0 GGADHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCCN1C ZINC000471627695 566967616 /nfs/dbraw/zinc/96/76/16/566967616.db2.gz KKHUCHZIOHQIFE-PELKAZGASA-N -1 3 399.713 3.003 20 0 GGADHM Cc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471627843 566968128 /nfs/dbraw/zinc/96/81/28/566968128.db2.gz NXKVQWVUYDZUCB-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM CN(Cc1ccc(F)c(F)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429945453 566968931 /nfs/dbraw/zinc/96/89/31/566968931.db2.gz BROFNEIGQDAOTE-UHFFFAOYSA-N -1 3 395.207 3.461 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ncccc1C ZINC000656896988 566969101 /nfs/dbraw/zinc/96/91/01/566969101.db2.gz KNYDSGAHOWERQA-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCOc2ccccc21 ZINC000429949641 566969310 /nfs/dbraw/zinc/96/93/10/566969310.db2.gz GVVANPLEOKPCCN-AWEZNQCLSA-N -1 3 387.237 3.164 20 0 GGADHM CCCCSc1ccc(Cl)cc1C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000544560814 566969892 /nfs/dbraw/zinc/96/98/92/566969892.db2.gz ICNGCEOPWXCKDW-UHFFFAOYSA-N -1 3 382.873 3.318 20 0 GGADHM CCCCSc1ccc(Cl)cc1C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000544560814 566969896 /nfs/dbraw/zinc/96/98/96/566969896.db2.gz ICNGCEOPWXCKDW-UHFFFAOYSA-N -1 3 382.873 3.318 20 0 GGADHM CCCCSc1ccc(Cl)cc1C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000544560814 566969898 /nfs/dbraw/zinc/96/98/98/566969898.db2.gz ICNGCEOPWXCKDW-UHFFFAOYSA-N -1 3 382.873 3.318 20 0 GGADHM CN(CCc1cccs1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429944783 566969975 /nfs/dbraw/zinc/96/99/75/566969975.db2.gz AYPRTFYIWCPHJU-UHFFFAOYSA-N -1 3 379.283 3.287 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656903329 566970319 /nfs/dbraw/zinc/97/03/19/566970319.db2.gz LCVCADWRMNFXKY-SECBINFHSA-N -1 3 391.262 3.374 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429964053 566970464 /nfs/dbraw/zinc/97/04/64/566970464.db2.gz METPSGPEENBWMT-IUODEOHRSA-N -1 3 395.301 3.236 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC[C@@H]3CCCC[C@@H]3C)cc2C1 ZINC000656905009 566970711 /nfs/dbraw/zinc/97/07/11/566970711.db2.gz VOAQHYILHITOMZ-ZFWWWQNUSA-N -1 3 384.567 3.147 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1cc(F)cc(Cl)c1 ZINC000544599868 566971633 /nfs/dbraw/zinc/97/16/33/566971633.db2.gz OCTWKXAQMHHNSQ-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM O=c1cc(CSc2nnc(-c3ccc(Br)cc3)o2)occ1[O-] ZINC000494110713 566971575 /nfs/dbraw/zinc/97/15/75/566971575.db2.gz USGMKIKARAYKHP-UHFFFAOYSA-N -1 3 381.207 3.450 20 0 GGADHM C[C@H](CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nccs1 ZINC000429972911 566972732 /nfs/dbraw/zinc/97/27/32/566972732.db2.gz HNLXUVOSFPRCNK-SNVBAGLBSA-N -1 3 394.298 3.243 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc(Br)cc2c1OCC2 ZINC000429972662 566972814 /nfs/dbraw/zinc/97/28/14/566972814.db2.gz MDPIFEWBMWHBJO-SECBINFHSA-N -1 3 396.253 3.098 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)C(C)(C)CO)cc1Cl ZINC000564402829 566973018 /nfs/dbraw/zinc/97/30/18/566973018.db2.gz BICRDCCEBLNZTM-AWEZNQCLSA-N -1 3 382.309 3.077 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583702359 566974151 /nfs/dbraw/zinc/97/41/51/566974151.db2.gz QVCZETKHBIEBSR-UHFFFAOYSA-N -1 3 391.225 3.033 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)s1 ZINC000430001606 566974697 /nfs/dbraw/zinc/97/46/97/566974697.db2.gz DNHLIJAKWVEESR-CMPLNLGQSA-N -1 3 387.324 3.302 20 0 GGADHM Cc1ccc(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)s1 ZINC000471746739 566974843 /nfs/dbraw/zinc/97/48/43/566974843.db2.gz FUWLGLDJDWSYRL-UHFFFAOYSA-N -1 3 392.424 3.377 20 0 GGADHM CC[C@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471730512 566974872 /nfs/dbraw/zinc/97/48/72/566974872.db2.gz WGFBVOVPAXZWSW-NSHDSACASA-N -1 3 378.416 3.339 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)c1ccccc1Cl ZINC000519869207 566975397 /nfs/dbraw/zinc/97/53/97/566975397.db2.gz UHGNCDBZGYKLNL-QGZVFWFLSA-N -1 3 385.892 3.236 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3CCC(C)(C)C[C@H]3C)cc2C1 ZINC000656928521 566976857 /nfs/dbraw/zinc/97/68/57/566976857.db2.gz RPLGABGDNYQERQ-DOMZBBRYSA-N -1 3 384.567 3.146 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccn(C)c1 ZINC000656925644 566977001 /nfs/dbraw/zinc/97/70/01/566977001.db2.gz DUIUYRSKKPXDCN-UHFFFAOYSA-N -1 3 387.299 3.055 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000471783128 566977475 /nfs/dbraw/zinc/97/74/75/566977475.db2.gz WLIBVCPHZBUTEQ-CQSZACIVSA-N -1 3 383.491 3.118 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC3(CC(C)C)CCC3)cc2C1 ZINC000656932279 566978290 /nfs/dbraw/zinc/97/82/90/566978290.db2.gz UFUDTJCFPONHAU-UHFFFAOYSA-N -1 3 384.567 3.147 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCO1 ZINC000656932702 566978601 /nfs/dbraw/zinc/97/86/01/566978601.db2.gz XIPBYHHABSHOCG-OAHLLOKOSA-N -1 3 392.315 3.085 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H](CC)O1 ZINC000583746766 566979821 /nfs/dbraw/zinc/97/98/21/566979821.db2.gz OGLIGJQIWHFRKF-BETUJISGSA-N -1 3 393.281 3.320 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCc3c(Br)ccc(F)c3C2)cs1 ZINC000544693765 566980948 /nfs/dbraw/zinc/98/09/48/566980948.db2.gz YKEBBJAIISHHJW-UHFFFAOYSA-N -1 3 384.274 3.097 20 0 GGADHM CC(C)(Oc1ccc(F)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430098132 566981159 /nfs/dbraw/zinc/98/11/59/566981159.db2.gz CMHQKUZTUKABSS-UHFFFAOYSA-N -1 3 392.228 3.454 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc2c(c(Cl)c1)OCO2 ZINC000430102086 566981241 /nfs/dbraw/zinc/98/12/41/566981241.db2.gz QIVPMAVODZXFIO-UHFFFAOYSA-N -1 3 394.612 3.153 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccnc(OC2CCC2)c1 ZINC000430092983 566981749 /nfs/dbraw/zinc/98/17/49/566981749.db2.gz CAXOJUZBZBASTI-UHFFFAOYSA-N -1 3 387.237 3.097 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(C(F)(F)F)nc1 ZINC000430093163 566981832 /nfs/dbraw/zinc/98/18/32/566981832.db2.gz FHLUKCYKZPXRQU-UHFFFAOYSA-N -1 3 385.143 3.185 20 0 GGADHM O=C(N[C@@H]1CCCc2cn[nH]c21)c1c([O-])cnc2c(Br)cccc21 ZINC000564513069 566981954 /nfs/dbraw/zinc/98/19/54/566981954.db2.gz HGETWBTZRJBDAL-GFCCVEGCSA-N -1 3 387.237 3.233 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C)C1 ZINC000656949723 566983500 /nfs/dbraw/zinc/98/35/00/566983500.db2.gz VBESCRBLIZOCGN-DGCLKSJQSA-N -1 3 392.315 3.084 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C)CCO[C@H]1C ZINC000656956414 566984731 /nfs/dbraw/zinc/98/47/31/566984731.db2.gz OZMPOSHVNCTVMR-NHYWBVRUSA-N -1 3 392.315 3.084 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC[C@@H](C)CC(C)(C)C)cc2C1 ZINC000656968953 566986066 /nfs/dbraw/zinc/98/60/66/566986066.db2.gz HNLHVVDPXNWIKU-CYBMUJFWSA-N -1 3 386.583 3.393 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCCc4sccc43)cc2C1 ZINC000656963276 566986250 /nfs/dbraw/zinc/98/62/50/566986250.db2.gz MLCBSHWSYPGGJW-CQSZACIVSA-N -1 3 396.559 3.070 20 0 GGADHM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000520123814 566986251 /nfs/dbraw/zinc/98/62/51/566986251.db2.gz ADWLJYRSUXCGSB-UHFFFAOYSA-N -1 3 399.310 3.325 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)s1 ZINC000520156035 566987995 /nfs/dbraw/zinc/98/79/95/566987995.db2.gz LMFFXKPNQVCVOS-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(Br)o2)n1 ZINC000544726500 566988429 /nfs/dbraw/zinc/98/84/29/566988429.db2.gz TWCJHAKQXCWARC-UHFFFAOYSA-N -1 3 389.271 3.093 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)cnc2c1Cl ZINC000494325842 566988622 /nfs/dbraw/zinc/98/86/22/566988622.db2.gz DHJUXKOTJSAUHL-QMMMGPOBSA-N -1 3 384.811 3.091 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)s1 ZINC000544728272 566988723 /nfs/dbraw/zinc/98/87/23/566988723.db2.gz TUFMTRGBABGOJO-ZCFIWIBFSA-N -1 3 396.719 3.302 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)c1 ZINC000494323890 566988746 /nfs/dbraw/zinc/98/87/46/566988746.db2.gz YJCZYEQVLCDOSD-SNVBAGLBSA-N -1 3 385.379 3.402 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)[C@]12CCCO2 ZINC000544731287 566988984 /nfs/dbraw/zinc/98/89/84/566988984.db2.gz PBZSSEYVHLCZQF-XJKCOSOUSA-N -1 3 394.320 3.307 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F)C1CCCC1 ZINC000656978424 566989395 /nfs/dbraw/zinc/98/93/95/566989395.db2.gz GQVPJZTVQYEUDJ-HNNXBMFYSA-N -1 3 381.416 3.052 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F)C1CCCC1 ZINC000656978426 566989491 /nfs/dbraw/zinc/98/94/91/566989491.db2.gz GQVPJZTVQYEUDJ-OAHLLOKOSA-N -1 3 381.416 3.052 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@H]3CCC[C@H](C)[C@H]3C)cc2C1 ZINC000656978088 566989686 /nfs/dbraw/zinc/98/96/86/566989686.db2.gz DPIAZIIDPKRPIK-GUTXKFCHSA-N -1 3 384.567 3.003 20 0 GGADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000494343930 566990054 /nfs/dbraw/zinc/99/00/54/566990054.db2.gz CCBNECDXRYAJNT-SECBINFHSA-N -1 3 382.379 3.110 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1CN1CCCC1)c1ccc(Br)o1 ZINC000544745421 566990903 /nfs/dbraw/zinc/99/09/03/566990903.db2.gz CUCCUJUCIADTKH-UHFFFAOYSA-N -1 3 399.310 3.116 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)C ZINC000494410295 566998953 /nfs/dbraw/zinc/99/89/53/566998953.db2.gz JPBXRWLHUKZTBF-LLVKDONJSA-N -1 3 384.723 3.442 20 0 GGADHM Cc1ccc([O-])c(C(=O)NC[C@H](CO)Cc2ccccc2Br)c1 ZINC000430142945 566991586 /nfs/dbraw/zinc/99/15/86/566991586.db2.gz BEIZYZVNEFGXFY-CYBMUJFWSA-N -1 3 378.266 3.044 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)Nc2cccnc2)c1Cl ZINC000520237190 566991835 /nfs/dbraw/zinc/99/18/35/566991835.db2.gz VYPOHWSNKLQYFU-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM COc1ccc(NC(=O)COc2ccc(Br)cc2C(C)=O)c([O-])c1 ZINC000583887840 566993081 /nfs/dbraw/zinc/99/30/81/566993081.db2.gz BZYOAPAXYDRWIR-UHFFFAOYSA-N -1 3 394.221 3.383 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)s1 ZINC000583890472 566993118 /nfs/dbraw/zinc/99/31/18/566993118.db2.gz NAXYFUOWWLCVJL-TZMCWYRMSA-N -1 3 379.555 3.193 20 0 GGADHM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656998510 566993984 /nfs/dbraw/zinc/99/39/84/566993984.db2.gz BPLMSRPNUYBOLQ-GJZGRUSLSA-N -1 3 384.567 3.147 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCCCO ZINC000657000749 566994332 /nfs/dbraw/zinc/99/43/32/566994332.db2.gz AQAVHNLIWALVKI-LBPRGKRZSA-N -1 3 394.331 3.067 20 0 GGADHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Br)OC ZINC000656999453 566994652 /nfs/dbraw/zinc/99/46/52/566994652.db2.gz PGCAWZOMIMUECE-QMTHXVAHSA-N -1 3 382.295 3.069 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccnc(C)c1 ZINC000656998459 566994701 /nfs/dbraw/zinc/99/47/01/566994701.db2.gz AYLQGAIIZVRKSF-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472024551 566995083 /nfs/dbraw/zinc/99/50/83/566995083.db2.gz HGMCSXOOHVUWTR-QWRGUYRKSA-N -1 3 378.416 3.480 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCCCc1ccc(F)cc1 ZINC000494371374 566995276 /nfs/dbraw/zinc/99/52/76/566995276.db2.gz RURKODRLRRLGBK-UHFFFAOYSA-N -1 3 385.482 3.365 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)c1 ZINC000583922096 566995505 /nfs/dbraw/zinc/99/55/05/566995505.db2.gz TUWMNKIYLSGYIW-UHFFFAOYSA-N -1 3 379.825 3.112 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000583922096 566995515 /nfs/dbraw/zinc/99/55/15/566995515.db2.gz TUWMNKIYLSGYIW-UHFFFAOYSA-N -1 3 379.825 3.112 20 0 GGADHM CCCSc1cccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000633787535 566996060 /nfs/dbraw/zinc/99/60/60/566996060.db2.gz IFMBVTFWCSLSNN-UHFFFAOYSA-N -1 3 383.470 3.347 20 0 GGADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000494384386 566997097 /nfs/dbraw/zinc/99/70/97/566997097.db2.gz HPZZPTBUHYCBBZ-NSHDSACASA-N -1 3 395.750 3.255 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)[C@@H]3CCC[C@@H](C)C3)cc2C1 ZINC000657007644 566997380 /nfs/dbraw/zinc/99/73/80/566997380.db2.gz JHRIAHHEGDVGIP-VNHYZAJKSA-N -1 3 384.567 3.146 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@H]3CCCC(C)(C)C3)cc2C1 ZINC000657007287 566998067 /nfs/dbraw/zinc/99/80/67/566998067.db2.gz LGYYXTCMURKKLE-AWEZNQCLSA-N -1 3 384.567 3.147 20 0 GGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]C3(C(F)(F)F)CCOCC3)cc(Cl)c2O1 ZINC000544838836 566998850 /nfs/dbraw/zinc/99/88/50/566998850.db2.gz DCSGEHLESVYACN-VIFPVBQESA-N -1 3 399.818 3.053 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC[C@H]3C(C)(C)C)cc2C1 ZINC000657013952 566998989 /nfs/dbraw/zinc/99/89/89/566998989.db2.gz BQDONYNMWIAVII-HUUCEWRRSA-N -1 3 384.567 3.146 20 0 GGADHM Cc1ccc([C@H](C)[C@@H](O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000494411326 566999003 /nfs/dbraw/zinc/99/90/03/566999003.db2.gz BEMMUZCONPJBAF-YVEFUNNKSA-N -1 3 378.266 3.244 20 0 GGADHM CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000472092101 567000079 /nfs/dbraw/zinc/00/00/79/567000079.db2.gz AKXHONZOEXCLIT-XJKSGUPXSA-N -1 3 391.530 3.112 20 0 GGADHM COc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)c(Br)c1[O-] ZINC000544840206 567000563 /nfs/dbraw/zinc/00/05/63/567000563.db2.gz SUQADTGZODICNS-OAHLLOKOSA-N -1 3 377.282 3.440 20 0 GGADHM COc1ccc(CN[C@H]2CN(C)Cc3ccccc32)c(Br)c1[O-] ZINC000544840205 567000691 /nfs/dbraw/zinc/00/06/91/567000691.db2.gz SUQADTGZODICNS-HNNXBMFYSA-N -1 3 377.282 3.440 20 0 GGADHM COC(=O)c1ccc2c(c1)CN(Cc1ccc(OC)c([O-])c1Br)C2 ZINC000612852127 567000878 /nfs/dbraw/zinc/00/08/78/567000878.db2.gz ULFBUNMQEZJOSN-UHFFFAOYSA-N -1 3 392.249 3.466 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)(C)O ZINC000494436844 567000992 /nfs/dbraw/zinc/00/09/92/567000992.db2.gz RLPUVKUGJKQMSE-LBPRGKRZSA-N -1 3 384.723 3.176 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000520380169 567001145 /nfs/dbraw/zinc/00/11/45/567001145.db2.gz PRSAOCHXQCSSNN-LBPRGKRZSA-N -1 3 386.926 3.117 20 0 GGADHM O=C(C[N-]S(=O)(=O)CCOCC1CCCC1)c1c(Cl)cccc1Cl ZINC000657028418 567001232 /nfs/dbraw/zinc/00/12/32/567001232.db2.gz PDDCODCZBXOYIK-UHFFFAOYSA-N -1 3 394.320 3.302 20 0 GGADHM CC[C@@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000520375184 567001536 /nfs/dbraw/zinc/00/15/36/567001536.db2.gz ZDTDJVWIBSWHMU-LLVKDONJSA-N -1 3 379.309 3.063 20 0 GGADHM CCOc1cnc(C(=O)[N-]c2nnc(SCc3cccs3)s2)cn1 ZINC000681765516 567005551 /nfs/dbraw/zinc/00/55/51/567005551.db2.gz JCUHHPNZQBVGMO-UHFFFAOYSA-N -1 3 379.492 3.333 20 0 GGADHM CC(C)Oc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000452686633 567005820 /nfs/dbraw/zinc/00/58/20/567005820.db2.gz XNQZOZIHWKGAJH-UHFFFAOYSA-N -1 3 388.898 3.106 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000657041367 567005676 /nfs/dbraw/zinc/00/56/76/567005676.db2.gz FBLVZBOKAONCRZ-LBPRGKRZSA-N -1 3 386.926 3.215 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000657041366 567005695 /nfs/dbraw/zinc/00/56/95/567005695.db2.gz FBLVZBOKAONCRZ-GFCCVEGCSA-N -1 3 386.926 3.215 20 0 GGADHM COCCS(=O)(=O)[N-]c1ccnc2c(Cl)cc(Br)cc12 ZINC000564769706 567006371 /nfs/dbraw/zinc/00/63/71/567006371.db2.gz STDPASLLIKWEGV-UHFFFAOYSA-N -1 3 379.663 3.039 20 0 GGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000520452448 567007133 /nfs/dbraw/zinc/00/71/33/567007133.db2.gz ZNUHJPYGHIHKQM-UHFFFAOYSA-N -1 3 389.315 3.047 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)cc1Cl ZINC000657050069 567007357 /nfs/dbraw/zinc/00/73/57/567007357.db2.gz IDOMFRVNBHTPSE-SDBXPKJASA-N -1 3 380.691 3.332 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(COC)CCCC1 ZINC000657048184 567007403 /nfs/dbraw/zinc/00/74/03/567007403.db2.gz AQVRFDODDOGOEA-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000657061489 567008227 /nfs/dbraw/zinc/00/82/27/567008227.db2.gz VLYDITUZOWVDTH-NSHDSACASA-N -1 3 382.860 3.093 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C(C)(C)C)C2)cc1Cl ZINC000657061657 567008255 /nfs/dbraw/zinc/00/82/55/567008255.db2.gz OAMQTABAZGSAST-JTQLQIEISA-N -1 3 381.325 3.153 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCS1 ZINC000472201364 567008267 /nfs/dbraw/zinc/00/82/67/567008267.db2.gz YTCAYWIUNGPDFM-CYBMUJFWSA-N -1 3 396.456 3.045 20 0 GGADHM C[C@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)[C@H]1C ZINC000472201049 567008286 /nfs/dbraw/zinc/00/82/86/567008286.db2.gz MOUYRQYPAUATSO-QWRGUYRKSA-N -1 3 378.416 3.338 20 0 GGADHM O=S(=O)([N-]CCOCC(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC000472195040 567008521 /nfs/dbraw/zinc/00/85/21/567008521.db2.gz RPCHYPOKZMHOOX-UHFFFAOYSA-N -1 3 383.844 3.079 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2)cc1Cl ZINC000657061659 567009067 /nfs/dbraw/zinc/00/90/67/567009067.db2.gz OAMQTABAZGSAST-SNVBAGLBSA-N -1 3 381.325 3.153 20 0 GGADHM CCSCC[C@@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472210403 567009551 /nfs/dbraw/zinc/00/95/51/567009551.db2.gz ZGVLWESTDPNYKO-SNVBAGLBSA-N -1 3 398.472 3.338 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCC1 ZINC000472205676 567009902 /nfs/dbraw/zinc/00/99/02/567009902.db2.gz LHCZTIQULYWQMM-UHFFFAOYSA-N -1 3 399.713 3.004 20 0 GGADHM CCc1cnc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)s1 ZINC000472206705 567010166 /nfs/dbraw/zinc/01/01/66/567010166.db2.gz OFDVGQDZVIGZRV-UHFFFAOYSA-N -1 3 393.412 3.348 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H](c1ccccc1)C1CCC1 ZINC000520535747 567010775 /nfs/dbraw/zinc/01/07/75/567010775.db2.gz UXPXMEUREXDRHN-KRWDZBQOSA-N -1 3 398.937 3.337 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CNC(=O)NC1CCCCC1 ZINC000452745635 567010809 /nfs/dbraw/zinc/01/08/09/567010809.db2.gz FDVFRYLDWJGFLG-UHFFFAOYSA-N -1 3 384.274 3.034 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1csc(-c2ccc(Cl)cc2)n1 ZINC000494595323 567011396 /nfs/dbraw/zinc/01/13/96/567011396.db2.gz MMCDRERQZZYKKZ-SMDDNHRTSA-N -1 3 386.926 3.293 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1csc(-c2ccc(Cl)cc2)n1 ZINC000494595321 567011407 /nfs/dbraw/zinc/01/14/07/567011407.db2.gz MMCDRERQZZYKKZ-RISCZKNCSA-N -1 3 386.926 3.293 20 0 GGADHM CO[C@@H](C)c1noc(CCC(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC000452748653 567011892 /nfs/dbraw/zinc/01/18/92/567011892.db2.gz KUXFSKMPQGKZLM-VIFPVBQESA-N -1 3 384.230 3.125 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C1 ZINC000452750390 567012224 /nfs/dbraw/zinc/01/22/24/567012224.db2.gz FMQIMOHYDZYNAJ-RYUDHWBXSA-N -1 3 383.286 3.343 20 0 GGADHM CO[C@H](C)c1noc(CCC(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC000452748652 567012383 /nfs/dbraw/zinc/01/23/83/567012383.db2.gz KUXFSKMPQGKZLM-SECBINFHSA-N -1 3 384.230 3.125 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N[C@@H](CC(C)C)C1 ZINC000452750388 567012557 /nfs/dbraw/zinc/01/25/57/567012557.db2.gz FMQIMOHYDZYNAJ-NEPJUHHUSA-N -1 3 383.286 3.343 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000452751301 567012664 /nfs/dbraw/zinc/01/26/64/567012664.db2.gz GOFVBNUUKVRONT-GFCCVEGCSA-N -1 3 393.237 3.278 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000494650095 567014925 /nfs/dbraw/zinc/01/49/25/567014925.db2.gz RQPUWJLOOQLKHR-LSDHHAIUSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000494650095 567014928 /nfs/dbraw/zinc/01/49/28/567014928.db2.gz RQPUWJLOOQLKHR-LSDHHAIUSA-N -1 3 384.237 3.371 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccc(OC)c1 ZINC000657108017 567016135 /nfs/dbraw/zinc/01/61/35/567016135.db2.gz MRRMSHQQNGXLMD-QGZVFWFLSA-N -1 3 387.860 3.295 20 0 GGADHM C[C@@H]1C[C@H]1c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000545065879 567016884 /nfs/dbraw/zinc/01/68/84/567016884.db2.gz ULEBMLSRPDHVPT-RKDXNWHRSA-N -1 3 376.265 3.021 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000472311987 567016918 /nfs/dbraw/zinc/01/69/18/567016918.db2.gz NJALYHRYEJRVOS-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM C[C@@H]1C[C@@H]1c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000545065876 567017047 /nfs/dbraw/zinc/01/70/47/567017047.db2.gz ULEBMLSRPDHVPT-BDAKNGLRSA-N -1 3 376.265 3.021 20 0 GGADHM C[C@H]1C[C@H]1c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000545065877 567017073 /nfs/dbraw/zinc/01/70/73/567017073.db2.gz ULEBMLSRPDHVPT-DTWKUNHWSA-N -1 3 376.265 3.021 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccc(OC)c1 ZINC000657109639 567017105 /nfs/dbraw/zinc/01/71/05/567017105.db2.gz VGPLLJUVJOQTGD-KRWDZBQOSA-N -1 3 387.860 3.295 20 0 GGADHM CN(C)C[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000564884562 567017342 /nfs/dbraw/zinc/01/73/42/567017342.db2.gz DFMFZSFMKAEREM-GFCCVEGCSA-N -1 3 392.297 3.259 20 0 GGADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472325069 567018561 /nfs/dbraw/zinc/01/85/61/567018561.db2.gz HNNZCKFQSISEDT-YGRLFVJLSA-N -1 3 378.416 3.385 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cn1)c1cc(F)ccc1Cl ZINC000472314626 567018712 /nfs/dbraw/zinc/01/87/12/567018712.db2.gz SPBYSGGHYYNKRE-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1csc(=O)[n-]1 ZINC000472322244 567019344 /nfs/dbraw/zinc/01/93/44/567019344.db2.gz RQHCTUVBHFXPCL-NSHDSACASA-N -1 3 389.260 3.060 20 0 GGADHM CCO[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H]1C ZINC000452821367 567019421 /nfs/dbraw/zinc/01/94/21/567019421.db2.gz IMVHDIBKKHHOMM-BZNIZROVSA-N -1 3 393.281 3.178 20 0 GGADHM CCO[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@@H]1C ZINC000452821370 567019701 /nfs/dbraw/zinc/01/97/01/567019701.db2.gz IMVHDIBKKHHOMM-MEDUHNTESA-N -1 3 393.281 3.178 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnc2ncc(Br)cc2c1 ZINC000681985043 567020075 /nfs/dbraw/zinc/02/00/75/567020075.db2.gz MZHYXIZMXIUBAL-UHFFFAOYSA-N -1 3 385.181 3.023 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnc2ncc(Br)cc2c1 ZINC000681985043 567020080 /nfs/dbraw/zinc/02/00/80/567020080.db2.gz MZHYXIZMXIUBAL-UHFFFAOYSA-N -1 3 385.181 3.023 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnc2ncc(Br)cc2c1 ZINC000681985043 567020082 /nfs/dbraw/zinc/02/00/82/567020082.db2.gz MZHYXIZMXIUBAL-UHFFFAOYSA-N -1 3 385.181 3.023 20 0 GGADHM CCc1ncsc1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472342070 567020415 /nfs/dbraw/zinc/02/04/15/567020415.db2.gz YPSXQVIMLRJHRE-UHFFFAOYSA-N -1 3 393.412 3.348 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Cl)cn1)c1c(Cl)cccc1Cl ZINC000472337216 567020577 /nfs/dbraw/zinc/02/05/77/567020577.db2.gz PDLCSVAQIUPSOW-UHFFFAOYSA-N -1 3 381.668 3.399 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1csc(CCc2ccccc2)n1 ZINC000472336934 567020901 /nfs/dbraw/zinc/02/09/01/567020901.db2.gz GBXNSJCJXAGDPU-UHFFFAOYSA-N -1 3 394.543 3.477 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000584201269 567021006 /nfs/dbraw/zinc/02/10/06/567021006.db2.gz MFXNDUMHDLANEF-CYBMUJFWSA-N -1 3 385.835 3.434 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000584195509 567021019 /nfs/dbraw/zinc/02/10/19/567021019.db2.gz FMFSQAIQNKZHMY-FZMZJTMJSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000681998872 567021256 /nfs/dbraw/zinc/02/12/56/567021256.db2.gz WIPYDUWXEUHNGD-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM C[C@@H](CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)CC(C)(C)C ZINC000613204546 567021569 /nfs/dbraw/zinc/02/15/69/567021569.db2.gz RYVXBQGSSSVAAN-AWEZNQCLSA-N -1 3 386.583 3.480 20 0 GGADHM CCN=c1[n-]c(C(=O)N(C)Cc2cc(Br)ccc2OC)cs1 ZINC000494776829 567022053 /nfs/dbraw/zinc/02/20/53/567022053.db2.gz GLYQFPJGZBBKHF-UHFFFAOYSA-N -1 3 384.299 3.040 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2nccnc2cc1F ZINC000472362089 567022225 /nfs/dbraw/zinc/02/22/25/567022225.db2.gz UWHRXXLKVXQXPE-UHFFFAOYSA-N -1 3 376.185 3.167 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000472354292 567022556 /nfs/dbraw/zinc/02/25/56/567022556.db2.gz IEUZUIQJIBJKHW-UHFFFAOYSA-N -1 3 386.442 3.446 20 0 GGADHM C/C=C\C[C@H](CO)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430580339 567022985 /nfs/dbraw/zinc/02/29/85/567022985.db2.gz MBAWWZLGQCKCRR-MXQLGCADSA-N -1 3 399.672 3.001 20 0 GGADHM C/C=C\C[C@H](CO)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430580339 567022989 /nfs/dbraw/zinc/02/29/89/567022989.db2.gz MBAWWZLGQCKCRR-MXQLGCADSA-N -1 3 399.672 3.001 20 0 GGADHM C[C@@H](c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1)c1ccc(Br)cc1 ZINC000584257897 567025187 /nfs/dbraw/zinc/02/51/87/567025187.db2.gz PMWPEBWKBIANQT-SECBINFHSA-N -1 3 390.241 3.213 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C[C@H]1C ZINC000472427945 567025499 /nfs/dbraw/zinc/02/54/99/567025499.db2.gz FJSOTYIDXGGQCY-WDEREUQCSA-N -1 3 378.416 3.195 20 0 GGADHM CC(C)CSCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472436035 567027234 /nfs/dbraw/zinc/02/72/34/567027234.db2.gz ZSVGUOIDUVGMJV-UHFFFAOYSA-N -1 3 398.472 3.196 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000545184141 567027588 /nfs/dbraw/zinc/02/75/88/567027588.db2.gz KBKNJFMRGCMZEK-NWDGAFQWSA-N -1 3 387.324 3.302 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)s1 ZINC000520835197 567027521 /nfs/dbraw/zinc/02/75/21/567027521.db2.gz BHXUSLUNLFKREI-UHFFFAOYSA-N -1 3 379.532 3.404 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)s1 ZINC000545184140 567028383 /nfs/dbraw/zinc/02/83/83/567028383.db2.gz KBKNJFMRGCMZEK-NEPJUHHUSA-N -1 3 387.324 3.302 20 0 GGADHM C[C@H](C1CCC1)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472476810 567028710 /nfs/dbraw/zinc/02/87/10/567028710.db2.gz JPUTTYRBIXDXBU-SNVBAGLBSA-N -1 3 378.416 3.338 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCCc2ccc(SC)cc2)s1 ZINC000584293324 567028920 /nfs/dbraw/zinc/02/89/20/567028920.db2.gz DSXYOLYVGWBAEW-UHFFFAOYSA-N -1 3 398.575 3.017 20 0 GGADHM CCOC(=O)C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc(Br)c1 ZINC000472493351 567029717 /nfs/dbraw/zinc/02/97/17/567029717.db2.gz DRLMPUODFSEYQP-LLVKDONJSA-N -1 3 399.266 3.036 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2cccc(F)c2F)sc1Br ZINC000584288713 567029876 /nfs/dbraw/zinc/02/98/76/567029876.db2.gz BZFMJGCEWRFEOQ-UHFFFAOYSA-N -1 3 397.266 3.112 20 0 GGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472491951 567030151 /nfs/dbraw/zinc/03/01/51/567030151.db2.gz BHNLEYYGYAFAAH-YGRLFVJLSA-N -1 3 378.416 3.480 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@@H]2CCCCS2)cc(C(F)(F)F)c1 ZINC000472502987 567031137 /nfs/dbraw/zinc/03/11/37/567031137.db2.gz QIJYCRXUTNOADX-ZDUSSCGKSA-N -1 3 396.456 3.092 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000494895641 567032879 /nfs/dbraw/zinc/03/28/79/567032879.db2.gz VYYUEPHCPJSKPO-OAHLLOKOSA-N -1 3 376.865 3.129 20 0 GGADHM Cc1ncc(CNC(=O)Cc2csc3ccc(Br)cc23)c(=O)[n-]1 ZINC000472505458 567033201 /nfs/dbraw/zinc/03/32/01/567033201.db2.gz UEFHYQNNTRWFAH-UHFFFAOYSA-N -1 3 392.278 3.327 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCc2c(F)cc(Br)cc2C1 ZINC000682162940 567035079 /nfs/dbraw/zinc/03/50/79/567035079.db2.gz HDEDODTVTGCORL-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCc2c(F)cc(Br)cc2C1 ZINC000682162940 567035086 /nfs/dbraw/zinc/03/50/86/567035086.db2.gz HDEDODTVTGCORL-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCc2c(F)cc(Br)cc2C1 ZINC000682162940 567035089 /nfs/dbraw/zinc/03/50/89/567035089.db2.gz HDEDODTVTGCORL-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2c(Cl)cc(F)cc2Cl)ccc1F ZINC000521013290 567035718 /nfs/dbraw/zinc/03/57/18/567035718.db2.gz ZAGCHUJCQZQLCH-UHFFFAOYSA-N -1 3 395.214 3.432 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H](c1ccccc1F)[C@H](C)O ZINC000565083283 567035956 /nfs/dbraw/zinc/03/59/56/567035956.db2.gz LTYIRBNYQXIWAN-GTNSWQLSSA-N -1 3 387.860 3.029 20 0 GGADHM C[C@H]1CCC[C@@H]1CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000545301922 567036646 /nfs/dbraw/zinc/03/66/46/567036646.db2.gz YKPUYPUUSYBKGT-NWDGAFQWSA-N -1 3 393.336 3.214 20 0 GGADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472574439 567036605 /nfs/dbraw/zinc/03/66/05/567036605.db2.gz OZKNJCVACCMCFL-YGRLFVJLSA-N -1 3 378.416 3.338 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]Cc3ccc4sccc4c3)cnc2c1Cl ZINC000584379159 567037612 /nfs/dbraw/zinc/03/76/12/567037612.db2.gz OFVORRRCSGSFKY-UHFFFAOYSA-N -1 3 392.893 3.384 20 0 GGADHM O=S(=O)([N-]CCCSc1ccccn1)c1ccc(Br)s1 ZINC000565084274 567038034 /nfs/dbraw/zinc/03/80/34/567038034.db2.gz SXNKAGJOBJKGMV-UHFFFAOYSA-N -1 3 393.353 3.366 20 0 GGADHM Cc1cc(C)nc(N2[N-]C(=O)[C@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)n1 ZINC000634584804 567040787 /nfs/dbraw/zinc/04/07/87/567040787.db2.gz NGCSFDOXWCDNEX-KRWDZBQOSA-N -1 3 379.247 3.126 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1-n1cccn1 ZINC000545351984 567041870 /nfs/dbraw/zinc/04/18/70/567041870.db2.gz DJFYWYQQLYLODP-LLVKDONJSA-N -1 3 396.266 3.267 20 0 GGADHM COc1ccc([C@H](CN(C)C)[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000565135893 567042074 /nfs/dbraw/zinc/04/20/74/567042074.db2.gz JMMDFOZTHVBXEI-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc([C@@H](CN(C)C)[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000565135914 567042637 /nfs/dbraw/zinc/04/26/37/567042637.db2.gz JMMDFOZTHVBXEI-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000521148031 567043202 /nfs/dbraw/zinc/04/32/02/567043202.db2.gz NUEGXZDEWXEEPM-GOEBONIOSA-N -1 3 380.535 3.415 20 0 GGADHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(Br)o2)ccn1 ZINC000545366024 567043752 /nfs/dbraw/zinc/04/37/52/567043752.db2.gz FDYWNKHAGUSHSM-SNVBAGLBSA-N -1 3 389.271 3.093 20 0 GGADHM CCC[C@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000521132903 567043929 /nfs/dbraw/zinc/04/39/29/567043929.db2.gz WYJGFVFLIDXOEG-NSHDSACASA-N -1 3 381.325 3.309 20 0 GGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1cscc1Br ZINC000634657283 567044498 /nfs/dbraw/zinc/04/44/98/567044498.db2.gz CJJFTJBDUOTRIQ-UHFFFAOYSA-N -1 3 389.340 3.416 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)CCOC)c(F)cc1F ZINC000545376250 567045444 /nfs/dbraw/zinc/04/54/44/567045444.db2.gz MJACSCZYKIVGRX-UHFFFAOYSA-N -1 3 378.441 3.118 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CSc2ccc(C)cc2)c(C)o1 ZINC000472697325 567046041 /nfs/dbraw/zinc/04/60/41/567046041.db2.gz GRPNLXFRIPWOQM-LBPRGKRZSA-N -1 3 383.491 3.142 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000472689053 567046407 /nfs/dbraw/zinc/04/64/07/567046407.db2.gz GRKXUPFDUWHNOD-HOTGVXAUSA-N -1 3 381.519 3.419 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CSc2ccc(C)cc2)s1 ZINC000472706873 567048057 /nfs/dbraw/zinc/04/80/57/567048057.db2.gz KBJVPHMKXFITNE-LBPRGKRZSA-N -1 3 385.532 3.302 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000472744417 567048431 /nfs/dbraw/zinc/04/84/31/567048431.db2.gz BUVZLWGNXALPSL-CHWSQXEVSA-N -1 3 395.352 3.161 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000682486200 567049177 /nfs/dbraw/zinc/04/91/77/567049177.db2.gz PGAUGOQZCQOZSI-CMPLNLGQSA-N -1 3 383.844 3.220 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000682486202 567049743 /nfs/dbraw/zinc/04/97/43/567049743.db2.gz PGAUGOQZCQOZSI-PWSUYJOCSA-N -1 3 383.844 3.220 20 0 GGADHM CCCN(CC)CCNC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000472772893 567051121 /nfs/dbraw/zinc/05/11/21/567051121.db2.gz VKSOVQDCUMRHTA-UHFFFAOYSA-N -1 3 379.555 3.106 20 0 GGADHM C[C@@H](C(=O)[O-])N(Cc1cc2c(cc1Br)OCCCO2)C1CCC1 ZINC000565255076 567051268 /nfs/dbraw/zinc/05/12/68/567051268.db2.gz QCXREEGKQGAAHP-NSHDSACASA-N -1 3 384.270 3.438 20 0 GGADHM CS(=O)(=O)c1cc([N-]C(=O)c2ncsc2C(F)(F)F)ccc1Cl ZINC000565259612 567051312 /nfs/dbraw/zinc/05/13/12/567051312.db2.gz JUSNSPLPCVUHSR-UHFFFAOYSA-N -1 3 384.788 3.471 20 0 GGADHM CCN=c1[n-]c(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cs1 ZINC000613651921 567051664 /nfs/dbraw/zinc/05/16/64/567051664.db2.gz GIROVEHZAMCGKQ-UONOGXRCSA-N -1 3 386.304 3.034 20 0 GGADHM COC(=O)c1cc(F)c(Br)cc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000584554019 567053843 /nfs/dbraw/zinc/05/38/43/567053843.db2.gz PESQFQNDSMAZON-UHFFFAOYSA-N -1 3 383.173 3.493 20 0 GGADHM CC(C)(C)CCS(=O)(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000521323025 567054138 /nfs/dbraw/zinc/05/41/38/567054138.db2.gz XDDOKCGRFGFLFU-UHFFFAOYSA-N -1 3 394.534 3.080 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OC ZINC000545465905 567054565 /nfs/dbraw/zinc/05/45/65/567054565.db2.gz WBQSJIAYBIDCLI-SECBINFHSA-N -1 3 384.281 3.012 20 0 GGADHM O=C([N-]c1nnc(-c2ccco2)s1)c1n[nH]c(C2CC2)c1Br ZINC000521302443 567054693 /nfs/dbraw/zinc/05/46/93/567054693.db2.gz XCUDOSGTOCHSCB-UHFFFAOYSA-N -1 3 380.227 3.413 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)OC ZINC000545471363 567054856 /nfs/dbraw/zinc/05/48/56/567054856.db2.gz FYCORFZEODZRDG-LLVKDONJSA-N -1 3 398.706 3.113 20 0 GGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000682525620 567054849 /nfs/dbraw/zinc/05/48/49/567054849.db2.gz XCWWKLHYSYBWKR-INIZCTEOSA-N -1 3 396.256 3.466 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(C)cccc2C)s1 ZINC000545467209 567054879 /nfs/dbraw/zinc/05/48/79/567054879.db2.gz VLZULBRLHCMHEZ-AWEZNQCLSA-N -1 3 380.535 3.083 20 0 GGADHM CC(C)N(C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000565305389 567055099 /nfs/dbraw/zinc/05/50/99/567055099.db2.gz ANNDPWLFTSFHBL-UHFFFAOYSA-N -1 3 398.834 3.037 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC)cc2)c(F)c1 ZINC000545490584 567056684 /nfs/dbraw/zinc/05/66/84/567056684.db2.gz KJAHLNOOIRHDDS-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000613705448 567057100 /nfs/dbraw/zinc/05/71/00/567057100.db2.gz FEIXFBZWUJNCFJ-NSHDSACASA-N -1 3 381.270 3.274 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000613705800 567057144 /nfs/dbraw/zinc/05/71/44/567057144.db2.gz PIGTXIQKVXLHAG-LBPRGKRZSA-N -1 3 396.285 3.021 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1S(C)(=O)=O ZINC000613706119 567057238 /nfs/dbraw/zinc/05/72/38/567057238.db2.gz QSLFMSUZVPMNQU-UHFFFAOYSA-N -1 3 384.251 3.119 20 0 GGADHM Cn1cc(-c2nc(C(=O)Nc3ccc(Br)cc3[O-])cs2)cn1 ZINC000613706134 567057409 /nfs/dbraw/zinc/05/74/09/567057409.db2.gz UUFYVWGUNCVBEL-UHFFFAOYSA-N -1 3 379.239 3.264 20 0 GGADHM O=C(NCCc1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000521373652 567058439 /nfs/dbraw/zinc/05/84/39/567058439.db2.gz KXRZSLFLRRWDCN-UHFFFAOYSA-N -1 3 378.215 3.241 20 0 GGADHM CC(C)(CF)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000472951937 567058792 /nfs/dbraw/zinc/05/87/92/567058792.db2.gz MBWHHWQIQFDDAC-UHFFFAOYSA-N -1 3 389.084 3.238 20 0 GGADHM Cc1c(Br)cccc1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000634788482 567059986 /nfs/dbraw/zinc/05/99/86/567059986.db2.gz VWOJXERWRRHXPS-OAHLLOKOSA-N -1 3 392.315 3.083 20 0 GGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000565344087 567060813 /nfs/dbraw/zinc/06/08/13/567060813.db2.gz QHZLPJSBWHFETB-UHFFFAOYSA-N -1 3 385.283 3.001 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(Cc3cccc(Cl)c3)no2)ccc1F ZINC000545548369 567061532 /nfs/dbraw/zinc/06/15/32/567061532.db2.gz WJONXVFGQFZDRU-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM COc1ccc(CN(C)CC(=O)Nc2cccc(F)c2)c(Br)c1[O-] ZINC000545560849 567063545 /nfs/dbraw/zinc/06/35/45/567063545.db2.gz MEDJEPUKMRLXIM-UHFFFAOYSA-N -1 3 397.244 3.373 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccnn1C ZINC000682618242 567063553 /nfs/dbraw/zinc/06/35/53/567063553.db2.gz XPEVRHVRCAHMPZ-LLVKDONJSA-N -1 3 376.309 3.445 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccnn1C ZINC000682618384 567063784 /nfs/dbraw/zinc/06/37/84/567063784.db2.gz ZPTRJCVDXGKVNW-GFCCVEGCSA-N -1 3 375.416 3.157 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1Cl ZINC000431178965 567064116 /nfs/dbraw/zinc/06/41/16/567064116.db2.gz KKRQXMYQHAHCJO-JTQLQIEISA-N -1 3 381.837 3.251 20 0 GGADHM CSc1ccccc1Cc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000545595379 567064987 /nfs/dbraw/zinc/06/49/87/567064987.db2.gz RPIKIDSTUXXJSZ-UHFFFAOYSA-N -1 3 375.475 3.421 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3occc3Br)n2)cc1 ZINC000545591979 567065128 /nfs/dbraw/zinc/06/51/28/567065128.db2.gz WLJLIPMZBBPCHV-UHFFFAOYSA-N -1 3 384.211 3.131 20 0 GGADHM Cn1cnc2cc([N-]S(=O)(=O)Cc3ccccc3Br)ccc21 ZINC000565414063 567065431 /nfs/dbraw/zinc/06/54/31/567065431.db2.gz AGIOLZLQFRFDMD-UHFFFAOYSA-N -1 3 380.267 3.278 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000521557853 567065692 /nfs/dbraw/zinc/06/56/92/567065692.db2.gz XFZQIWHQFXPQRP-UHFFFAOYSA-N -1 3 388.272 3.415 20 0 GGADHM CC(C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccnn1C ZINC000682635487 567066334 /nfs/dbraw/zinc/06/63/34/567066334.db2.gz PUZWJQSMXLPZFU-ZDUSSCGKSA-N -1 3 395.301 3.127 20 0 GGADHM CSC1(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCC1 ZINC000473238351 567070212 /nfs/dbraw/zinc/07/02/12/567070212.db2.gz KNOBBOPYLALWJK-UHFFFAOYSA-N -1 3 396.456 3.092 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C(C)C)s1 ZINC000584796428 567070141 /nfs/dbraw/zinc/07/01/41/567070141.db2.gz CQKCGWUFMZTAJI-CQSZACIVSA-N -1 3 389.449 3.055 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000521641577 567070600 /nfs/dbraw/zinc/07/06/00/567070600.db2.gz OCLWFMHQSSEURB-CYBMUJFWSA-N -1 3 399.310 3.207 20 0 GGADHM COc1ccc(CNCc2cccnc2N2CCCC2)c(Br)c1[O-] ZINC000657569825 567070700 /nfs/dbraw/zinc/07/07/00/567070700.db2.gz MRBRSEGSVCZAGH-UHFFFAOYSA-N -1 3 392.297 3.448 20 0 GGADHM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1cncc(Br)c1 ZINC000521642280 567070927 /nfs/dbraw/zinc/07/09/27/567070927.db2.gz SXUCTZUNULGXSM-UHFFFAOYSA-N -1 3 387.324 3.263 20 0 GGADHM C[C@H]1CC[C@H](N(C)C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000473237406 567071027 /nfs/dbraw/zinc/07/10/27/567071027.db2.gz VXMSJNLMNAXKHD-HZMBPMFUSA-N -1 3 378.416 3.338 20 0 GGADHM O=C(C[N-]S(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1)c1c(F)cccc1Cl ZINC000565476480 567071094 /nfs/dbraw/zinc/07/10/94/567071094.db2.gz RGLITDFGYDDPFM-OLZOCXBDSA-N -1 3 388.892 3.008 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(Cc3cc(Cl)ccc3Cl)no2)c1 ZINC000545728115 567071562 /nfs/dbraw/zinc/07/15/62/567071562.db2.gz XUSSPYMRTXJCIU-UHFFFAOYSA-N -1 3 399.259 3.401 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCCCCn1cc(Br)cn1 ZINC000473289747 567071658 /nfs/dbraw/zinc/07/16/58/567071658.db2.gz ZJFHYFGCEDHIIQ-UHFFFAOYSA-N -1 3 386.677 3.144 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1Br ZINC000584802433 567071943 /nfs/dbraw/zinc/07/19/43/567071943.db2.gz VVZAXSGRIKPSBF-NSHDSACASA-N -1 3 388.205 3.077 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1Br ZINC000584802432 567072004 /nfs/dbraw/zinc/07/20/04/567072004.db2.gz VVZAXSGRIKPSBF-LLVKDONJSA-N -1 3 388.205 3.077 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000521647543 567072070 /nfs/dbraw/zinc/07/20/70/567072070.db2.gz DMOIPRQDFSITTF-KFWWJZLASA-N -1 3 391.892 3.457 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cs1 ZINC000431313393 567073408 /nfs/dbraw/zinc/07/34/08/567073408.db2.gz OXPOEVJIQKFVDW-VIFPVBQESA-N -1 3 378.878 3.263 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)c1 ZINC000565500666 567073475 /nfs/dbraw/zinc/07/34/75/567073475.db2.gz BTVWLSSEBPQGHK-GFCCVEGCSA-N -1 3 383.466 3.071 20 0 GGADHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2cccc3c(Br)cccc23)no1 ZINC000545759930 567074236 /nfs/dbraw/zinc/07/42/36/567074236.db2.gz ITPUABZUKDLYRZ-VIFPVBQESA-N -1 3 396.266 3.263 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000565528829 567075483 /nfs/dbraw/zinc/07/54/83/567075483.db2.gz DVVDJUDFJIBIEJ-UHFFFAOYSA-N -1 3 377.297 3.029 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)(C)C)s1 ZINC000565531778 567075840 /nfs/dbraw/zinc/07/58/40/567075840.db2.gz MWPZBNGVWIMZIJ-CQSZACIVSA-N -1 3 385.486 3.306 20 0 GGADHM CCN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)c1cccc(Cl)c1 ZINC000521745478 567077197 /nfs/dbraw/zinc/07/71/97/567077197.db2.gz PDGLIKOWUSQRNY-UHFFFAOYSA-N -1 3 384.860 3.201 20 0 GGADHM Cc1csc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)n1 ZINC000545797340 567077713 /nfs/dbraw/zinc/07/77/13/567077713.db2.gz PBVKFPYSTDBJPW-VIFPVBQESA-N -1 3 384.870 3.194 20 0 GGADHM CCN(CC)S(=O)(=O)[N-]c1ccc(Br)cc1OC(F)(F)F ZINC000473439582 567081131 /nfs/dbraw/zinc/08/11/31/567081131.db2.gz GMUMDXUXHFPXFB-UHFFFAOYSA-N -1 3 391.209 3.346 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000431450689 567081151 /nfs/dbraw/zinc/08/11/51/567081151.db2.gz VJNORUQPQPOJFK-UHFFFAOYSA-N -1 3 386.249 3.429 20 0 GGADHM Cc1noc(Cl)c1CCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000431447665 567081287 /nfs/dbraw/zinc/08/12/87/567081287.db2.gz HXVQAXFWXANTDF-UHFFFAOYSA-N -1 3 383.633 3.040 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc2ccccc2[nH]c1=O ZINC000431446409 567081314 /nfs/dbraw/zinc/08/13/14/567081314.db2.gz QXHSJTVJUUCBAV-UHFFFAOYSA-N -1 3 383.205 3.025 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000565592274 567081377 /nfs/dbraw/zinc/08/13/77/567081377.db2.gz OBICBOBJBRVOPE-DGCLKSJQSA-N -1 3 381.828 3.177 20 0 GGADHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000585711951 567082390 /nfs/dbraw/zinc/08/23/90/567082390.db2.gz VJPQOUJPUKIUBO-GFCCVEGCSA-N -1 3 378.947 3.155 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000545890514 567085639 /nfs/dbraw/zinc/08/56/39/567085639.db2.gz LTSYLCQBKWTZSX-HOCLYGCPSA-N -1 3 379.551 3.037 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C2CCN([C@@H](C)c3ccccc3)CC2)s1 ZINC000545891030 567085841 /nfs/dbraw/zinc/08/58/41/567085841.db2.gz MLQCZFHAUJVYQC-AWEZNQCLSA-N -1 3 379.551 3.209 20 0 GGADHM C[C@@H]1CN(Cc2csc(NC(=O)c3cc([O-])ccc3Cl)n2)C[C@@H](C)O1 ZINC000431510896 567086659 /nfs/dbraw/zinc/08/66/59/567086659.db2.gz IQVZCPDWXXYBMR-GHMZBOCLSA-N -1 3 381.885 3.364 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)c1 ZINC000521948114 567087950 /nfs/dbraw/zinc/08/79/50/567087950.db2.gz XCGQEPDABRSJEL-UHFFFAOYSA-N -1 3 397.287 3.320 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(F)c3Cl)cc2)CC1 ZINC000521938337 567088579 /nfs/dbraw/zinc/08/85/79/567088579.db2.gz ZFFVHSSTEVQCNE-UHFFFAOYSA-N -1 3 383.828 3.485 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CC[C@H]4CCC[C@@H]4C3)cc2N1 ZINC000565691037 567089674 /nfs/dbraw/zinc/08/96/74/567089674.db2.gz DJHBEUQZWAVTHA-YRGRVCCFSA-N -1 3 382.913 3.472 20 0 GGADHM CN(CC1CC1)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000565692848 567089844 /nfs/dbraw/zinc/08/98/44/567089844.db2.gz DIWUVFYRHDGGNR-OAHLLOKOSA-N -1 3 388.917 3.286 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CC[C@H]4CCC[C@H]4C3)cc2N1 ZINC000565691029 567090003 /nfs/dbraw/zinc/09/00/03/567090003.db2.gz DJHBEUQZWAVTHA-MBNYWOFBSA-N -1 3 382.913 3.472 20 0 GGADHM Cn1nc(C(=O)[O-])cc1CNCC1(c2ccc(Br)s2)CCC1 ZINC000635313900 567092122 /nfs/dbraw/zinc/09/21/22/567092122.db2.gz QMDQJOKAPICMMA-UHFFFAOYSA-N -1 3 384.299 3.154 20 0 GGADHM Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Br)cc2[O-])c1N ZINC000545967979 567092248 /nfs/dbraw/zinc/09/22/48/567092248.db2.gz XXXKWMYCCLDLPU-UHFFFAOYSA-N -1 3 387.237 3.483 20 0 GGADHM Cc1nc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)oc1C ZINC000565722744 567093470 /nfs/dbraw/zinc/09/34/70/567093470.db2.gz YBGDHHLBXFUKIE-LSDHHAIUSA-N -1 3 379.254 3.354 20 0 GGADHM Cn1cc(Br)c(=NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[n-]1 ZINC000522004497 567093677 /nfs/dbraw/zinc/09/36/77/567093677.db2.gz LXMFTQDMVARNHL-UHFFFAOYSA-N -1 3 388.187 3.294 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)c1 ZINC000431592966 567094030 /nfs/dbraw/zinc/09/40/30/567094030.db2.gz URTWUZGXDIRUMS-UHFFFAOYSA-N -1 3 375.462 3.114 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)n2C)sc1Cl ZINC000565750071 567095747 /nfs/dbraw/zinc/09/57/47/567095747.db2.gz IKRXEKZQNBMCCV-UHFFFAOYSA-N -1 3 396.925 3.026 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc(C(F)(F)F)c1 ZINC000683120906 567095957 /nfs/dbraw/zinc/09/59/57/567095957.db2.gz REPVAAJWYJMMRT-SNVBAGLBSA-N -1 3 392.424 3.381 20 0 GGADHM COc1ccc(CNC[C@H](O)[C@H](C)c2ccccc2)c(Br)c1[O-] ZINC000657795255 567096739 /nfs/dbraw/zinc/09/67/39/567096739.db2.gz FBGOJHDSCJLFKM-DOMZBBRYSA-N -1 3 380.282 3.418 20 0 GGADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683143928 567097636 /nfs/dbraw/zinc/09/76/36/567097636.db2.gz NYSXNRSTOGOONC-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1cccc(Cl)c1Br ZINC000683143671 567098205 /nfs/dbraw/zinc/09/82/05/567098205.db2.gz CGEUEJWLVYXMOW-UHFFFAOYSA-N -1 3 396.734 3.324 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683143654 567098282 /nfs/dbraw/zinc/09/82/82/567098282.db2.gz AWDHCZRFMOBKHS-NSHDSACASA-N -1 3 395.750 3.255 20 0 GGADHM O=C(NCc1ccc2c(c1)COC2)NCc1ccc([O-])c(Br)c1 ZINC000431661821 567099245 /nfs/dbraw/zinc/09/92/45/567099245.db2.gz RPTVTLPACLSZHQ-UHFFFAOYSA-N -1 3 377.238 3.184 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431641886 567099281 /nfs/dbraw/zinc/09/92/81/567099281.db2.gz XQCXSGZSJWWGAM-MQMHXKEQSA-N -1 3 383.466 3.207 20 0 GGADHM CC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683173968 567101008 /nfs/dbraw/zinc/10/10/08/567101008.db2.gz MWFSVJPUZKMKKX-MRXNPFEDSA-N -1 3 377.238 3.323 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000683173931 567101174 /nfs/dbraw/zinc/10/11/74/567101174.db2.gz MMPOBIIPLFFLMG-QGZVFWFLSA-N -1 3 390.281 3.360 20 0 GGADHM COCCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000683174816 567101340 /nfs/dbraw/zinc/10/13/40/567101340.db2.gz QTHOMWMZUKSIEC-QGZVFWFLSA-N -1 3 394.265 3.390 20 0 GGADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1 ZINC000473765210 567101762 /nfs/dbraw/zinc/10/17/62/567101762.db2.gz UPMLWDSSTSSOKP-HNNXBMFYSA-N -1 3 379.400 3.181 20 0 GGADHM O=C(NCc1nc2ccccc2[nH]1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522153306 567102199 /nfs/dbraw/zinc/10/21/99/567102199.db2.gz SGVIBCKIALFKRV-UHFFFAOYSA-N -1 3 397.232 3.097 20 0 GGADHM CCCn1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000683184961 567102416 /nfs/dbraw/zinc/10/24/16/567102416.db2.gz KUARKEVMFWYLNR-UHFFFAOYSA-N -1 3 393.253 3.417 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 ZINC000497521582 567103174 /nfs/dbraw/zinc/10/31/74/567103174.db2.gz KNVBDZRBPDMOEK-GDBMZVCRSA-N -1 3 389.851 3.164 20 0 GGADHM CCN(Cc1ccc(C)cc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000522215222 567106607 /nfs/dbraw/zinc/10/66/07/567106607.db2.gz GVBUEKPDAJNSRF-UHFFFAOYSA-N -1 3 386.926 3.037 20 0 GGADHM Cc1cc(NC(=O)CNC(=O)c2cc([O-])ccc2Cl)ccc1Br ZINC000431779261 567107314 /nfs/dbraw/zinc/10/73/14/567107314.db2.gz RVDGBIMZODJGQQ-UHFFFAOYSA-N -1 3 397.656 3.485 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)sc1Cl ZINC000473854824 567108560 /nfs/dbraw/zinc/10/85/60/567108560.db2.gz KWXBSKZJFLGSDE-VXGBXAGGSA-N -1 3 378.947 3.072 20 0 GGADHM COCCCOC1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000565897572 567109523 /nfs/dbraw/zinc/10/95/23/567109523.db2.gz DHWGLQRRKFWTCW-INIZCTEOSA-N -1 3 386.286 3.092 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1ccc(Br)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000522274649 567110074 /nfs/dbraw/zinc/11/00/74/567110074.db2.gz SRIAJIQEPUBBND-OZVIIMIRSA-N -1 3 385.302 3.227 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000431826860 567110707 /nfs/dbraw/zinc/11/07/07/567110707.db2.gz YSDUKFNOYNABIO-UHFFFAOYSA-N -1 3 376.463 3.070 20 0 GGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc2c(c(Br)c1)OCO2 ZINC000497580248 567110835 /nfs/dbraw/zinc/11/08/35/567110835.db2.gz ZBXMVLQRRNOIST-UHFFFAOYSA-N -1 3 386.205 3.242 20 0 GGADHM CC(C)[C@H](C(=O)Nc1ccc(Br)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000522274647 567110752 /nfs/dbraw/zinc/11/07/52/567110752.db2.gz SRIAJIQEPUBBND-BFQNTYOBSA-N -1 3 385.302 3.227 20 0 GGADHM O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431854846 567111800 /nfs/dbraw/zinc/11/18/00/567111800.db2.gz PWOWUHNDYZXNFK-HNNXBMFYSA-N -1 3 387.233 3.044 20 0 GGADHM NC(=O)[C@@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1ccccc1 ZINC000431836610 567111955 /nfs/dbraw/zinc/11/19/55/567111955.db2.gz ZUNJOOOQKPEEOY-HNNXBMFYSA-N -1 3 380.878 3.060 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c2ccccc21 ZINC000546175224 567112360 /nfs/dbraw/zinc/11/23/60/567112360.db2.gz OQLAQAYORSRFAD-AWEZNQCLSA-N -1 3 384.226 3.194 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000546181605 567112937 /nfs/dbraw/zinc/11/29/37/567112937.db2.gz VENZKUAVPIQDAA-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM CCCCNC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000522354221 567114027 /nfs/dbraw/zinc/11/40/27/567114027.db2.gz HYLYHOWENLSCQP-UHFFFAOYSA-N -1 3 378.947 3.299 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c(OC)c1 ZINC000473909677 567114151 /nfs/dbraw/zinc/11/41/51/567114151.db2.gz CAARFKGIGUOKDW-UHFFFAOYSA-N -1 3 375.899 3.248 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](O)Cc2ccccc2Cl)c1[O-] ZINC000588099442 567114209 /nfs/dbraw/zinc/11/42/09/567114209.db2.gz WANUJBGQVMJBFP-CQSZACIVSA-N -1 3 384.215 3.028 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[n-]1 ZINC000565952465 567114162 /nfs/dbraw/zinc/11/41/62/567114162.db2.gz WKWDCRPAURCACW-WDEREUQCSA-N -1 3 388.187 3.366 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(Br)cn2)c1[O-] ZINC000588095726 567114331 /nfs/dbraw/zinc/11/43/31/567114331.db2.gz FFCASEZOXAWFDN-UHFFFAOYSA-N -1 3 385.601 3.242 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[n-]1 ZINC000565952463 567114738 /nfs/dbraw/zinc/11/47/38/567114738.db2.gz WKWDCRPAURCACW-MNOVXSKESA-N -1 3 388.187 3.366 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)sc1Cl ZINC000473915226 567114751 /nfs/dbraw/zinc/11/47/51/567114751.db2.gz ZUIVHODHKHWGOA-UHFFFAOYSA-N -1 3 376.956 3.108 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)sc1Cl ZINC000473911905 567114782 /nfs/dbraw/zinc/11/47/82/567114782.db2.gz QXWDGOIYMUBEOA-UHFFFAOYSA-N -1 3 381.910 3.433 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)oc1C ZINC000431895793 567114994 /nfs/dbraw/zinc/11/49/94/567114994.db2.gz HKGVGQCYKWTPKB-MRVPVSSYSA-N -1 3 375.805 3.207 20 0 GGADHM O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000683329965 567115679 /nfs/dbraw/zinc/11/56/79/567115679.db2.gz CQHIPPGRUGTVOP-GOSISDBHSA-N -1 3 387.233 3.048 20 0 GGADHM O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000683329968 567115710 /nfs/dbraw/zinc/11/57/10/567115710.db2.gz CQHIPPGRUGTVOP-SFHVURJKSA-N -1 3 387.233 3.048 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2cccc(Cl)c2)C1)c1cc(F)c(F)c(F)c1 ZINC000431899989 567115908 /nfs/dbraw/zinc/11/59/08/567115908.db2.gz CVJCKFHRMHOGHC-NSHDSACASA-N -1 3 390.814 3.315 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)cc1Cl ZINC000565987411 567116321 /nfs/dbraw/zinc/11/63/21/567116321.db2.gz ZNEQPYYJPAYRAY-LLVKDONJSA-N -1 3 390.267 3.085 20 0 GGADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000565978476 567116392 /nfs/dbraw/zinc/11/63/92/567116392.db2.gz PYHBEMGSPNGJKU-UHFFFAOYSA-N -1 3 378.256 3.072 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccccc2C(F)(F)F)no1)c1cccs1 ZINC000546249553 567116947 /nfs/dbraw/zinc/11/69/47/567116947.db2.gz RHMXJAXVBSEIKB-UHFFFAOYSA-N -1 3 389.380 3.295 20 0 GGADHM COc1ccc(CN(C)C2CCC(NC(C)=O)CC2)c(Br)c1[O-] ZINC000546256198 567117004 /nfs/dbraw/zinc/11/70/04/567117004.db2.gz OBVAXVPCWOFWOJ-UHFFFAOYSA-N -1 3 385.302 3.042 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)cc1Cl ZINC000473937192 567117154 /nfs/dbraw/zinc/11/71/54/567117154.db2.gz BQRWBMBSYCIWRH-LLVKDONJSA-N -1 3 381.325 3.155 20 0 GGADHM CSc1ccc([O-])c(C(=O)N(CCNC(C)=O)Cc2ccc(C)s2)c1 ZINC000614521614 567117445 /nfs/dbraw/zinc/11/74/45/567117445.db2.gz LNSSUVDHCGJZGJ-UHFFFAOYSA-N -1 3 378.519 3.263 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000431906675 567117449 /nfs/dbraw/zinc/11/74/49/567117449.db2.gz HJNLZYSAIDHMMY-UHFFFAOYSA-N -1 3 378.212 3.342 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC2(CCCCC2)CC1 ZINC000588137412 567117718 /nfs/dbraw/zinc/11/77/18/567117718.db2.gz LIICXHXXEVQNGM-UHFFFAOYSA-N -1 3 390.958 3.253 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000473942518 567117832 /nfs/dbraw/zinc/11/78/32/567117832.db2.gz RAEYXYAVGKNPEB-UHFFFAOYSA-N -1 3 375.899 3.214 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1cncc(Br)c1 ZINC000588170953 567118684 /nfs/dbraw/zinc/11/86/84/567118684.db2.gz OLHPZFPNTITSFW-CVEARBPZSA-N -1 3 397.294 3.043 20 0 GGADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1cncc(Br)c1 ZINC000588170956 567118736 /nfs/dbraw/zinc/11/87/36/567118736.db2.gz OLHPZFPNTITSFW-JKSUJKDBSA-N -1 3 397.294 3.043 20 0 GGADHM COC(=O)c1cc(CN(C)Cc2ccc(OC)c([O-])c2Br)oc1C ZINC000546256650 567118650 /nfs/dbraw/zinc/11/86/50/567118650.db2.gz TTZGJAMHMQVRTJ-UHFFFAOYSA-N -1 3 398.253 3.483 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(CN(C)C)c(F)c2)sc1Cl ZINC000473953898 567119680 /nfs/dbraw/zinc/11/96/80/567119680.db2.gz VSXGYFHFQZQWPK-UHFFFAOYSA-N -1 3 376.906 3.389 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2CCN(CC(F)(F)F)CC2)sc1Cl ZINC000473952905 567119924 /nfs/dbraw/zinc/11/99/24/567119924.db2.gz SEUXOEOQNFHYKT-UHFFFAOYSA-N -1 3 390.880 3.263 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCc1ccc(Br)cc1F ZINC000522547612 567120059 /nfs/dbraw/zinc/12/00/59/567120059.db2.gz LSGLAIWNKQNBEG-UHFFFAOYSA-N -1 3 391.262 3.104 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@H]1c1cccs1 ZINC000497717388 567120198 /nfs/dbraw/zinc/12/01/98/567120198.db2.gz PNDIHTDUCGQZTD-NSHDSACASA-N -1 3 378.475 3.207 20 0 GGADHM COc1ccc(CN2CCN([C@@H](C)C(F)(F)F)CC2)c(Br)c1[O-] ZINC000546268861 567120330 /nfs/dbraw/zinc/12/03/30/567120330.db2.gz LQLATMSDPULGRO-JTQLQIEISA-N -1 3 397.235 3.232 20 0 GGADHM COc1ccc(CN2CCc3ccccc3[C@H]2CO)c(Br)c1[O-] ZINC000546267654 567120637 /nfs/dbraw/zinc/12/06/37/567120637.db2.gz DNNHXYJLUJZHAL-OAHLLOKOSA-N -1 3 378.266 3.255 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccccc2Br)nc2ccccc12 ZINC000522616642 567120768 /nfs/dbraw/zinc/12/07/68/567120768.db2.gz WDYVREVWDPQPFB-UHFFFAOYSA-N -1 3 392.278 3.179 20 0 GGADHM Cc1cccc(C)c1[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000546269149 567120778 /nfs/dbraw/zinc/12/07/78/567120778.db2.gz OURQVBBHLDBYAH-LBPRGKRZSA-N -1 3 386.926 3.174 20 0 GGADHM Cc1cc(C)c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(Br)c1 ZINC000431993033 567121888 /nfs/dbraw/zinc/12/18/88/567121888.db2.gz QPXCJCFQOITVDY-UHFFFAOYSA-N -1 3 395.228 3.166 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000588230875 567122191 /nfs/dbraw/zinc/12/21/91/567122191.db2.gz ZRDFJNMRFWJPTO-HOCLYGCPSA-N -1 3 389.249 3.399 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000497775084 567123339 /nfs/dbraw/zinc/12/33/39/567123339.db2.gz XJUSDJUBTIGLJA-OWCLPIDISA-N -1 3 384.567 3.064 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000636110905 567126090 /nfs/dbraw/zinc/12/60/90/567126090.db2.gz HALHKZNSDLYMRA-UONOGXRCSA-N -1 3 390.281 3.408 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1 ZINC000636111316 567126432 /nfs/dbraw/zinc/12/64/32/567126432.db2.gz RQHHEFIIPJRULZ-NSHDSACASA-N -1 3 394.269 3.072 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)c2cccc(Br)c2)n1 ZINC000636110919 567126463 /nfs/dbraw/zinc/12/64/63/567126463.db2.gz HENNHGYVEVVMPJ-NSHDSACASA-N -1 3 378.270 3.408 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Br)cn2C(C)C)n1 ZINC000636115761 567126485 /nfs/dbraw/zinc/12/64/85/567126485.db2.gz UEYWSKAOTAVDTH-UHFFFAOYSA-N -1 3 381.274 3.301 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cc(Br)ccc2C)n1 ZINC000636111388 567126586 /nfs/dbraw/zinc/12/65/86/567126586.db2.gz JFNWFGGHNHHCBF-UHFFFAOYSA-N -1 3 378.270 3.156 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CSc2cccc(Br)c2)n1 ZINC000636111739 567126688 /nfs/dbraw/zinc/12/66/88/567126688.db2.gz VNRHQVHXHGSXKV-UHFFFAOYSA-N -1 3 396.310 3.397 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(CC3CC3)CC2)c1Cl ZINC000614621845 567126749 /nfs/dbraw/zinc/12/67/49/567126749.db2.gz FMSVOFNDCHXGFI-UHFFFAOYSA-N -1 3 377.337 3.455 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCOc2ccccc2Br)n1 ZINC000636113867 567126875 /nfs/dbraw/zinc/12/68/75/567126875.db2.gz GZXPGNGLAPNFSB-UHFFFAOYSA-N -1 3 394.269 3.074 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cc(Br)cs2)n1 ZINC000636114292 567126989 /nfs/dbraw/zinc/12/69/89/567126989.db2.gz HQLPXJZTOAEZKK-UHFFFAOYSA-N -1 3 384.299 3.299 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Cc2ccc(Br)cc2)n1 ZINC000636110909 567127205 /nfs/dbraw/zinc/12/72/05/567127205.db2.gz OGQVNVPIHFAWLE-NSHDSACASA-N -1 3 392.297 3.483 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2cc(O)ccc2C1)c1ccc(Br)s1 ZINC000683469772 567127354 /nfs/dbraw/zinc/12/73/54/567127354.db2.gz URCJDPMAIKUYHQ-LLVKDONJSA-N -1 3 388.308 3.052 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)c1 ZINC000474044077 567127757 /nfs/dbraw/zinc/12/77/57/567127757.db2.gz HLPSQJBAXIMBTH-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1ccc(F)cc1F ZINC000614629412 567128539 /nfs/dbraw/zinc/12/85/39/567128539.db2.gz WNIRHFUIYVEIPA-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1cc(Cl)cc(Cl)c1 ZINC000522751730 567128755 /nfs/dbraw/zinc/12/87/55/567128755.db2.gz CGARDPSOCRVYEB-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432074823 567129159 /nfs/dbraw/zinc/12/91/59/567129159.db2.gz HSKOZYLCOQVCNG-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000432070606 567129595 /nfs/dbraw/zinc/12/95/95/567129595.db2.gz AKCIKOJDLAELRR-UHFFFAOYSA-N -1 3 379.821 3.056 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c(=O)[nH]1 ZINC000432073459 567129738 /nfs/dbraw/zinc/12/97/38/567129738.db2.gz CVLAMHOQPHKJKY-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3ccoc3Br)n[nH]2)cc1OC ZINC000683534607 567130991 /nfs/dbraw/zinc/13/09/91/567130991.db2.gz XHHSVDVYEWRNQP-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccc4c3OCCO4)cc21 ZINC000432076157 567131207 /nfs/dbraw/zinc/13/12/07/567131207.db2.gz GNADCASYXXIYPC-UHFFFAOYSA-N -1 3 379.821 3.041 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000497932962 567132674 /nfs/dbraw/zinc/13/26/74/567132674.db2.gz AMOACFLZCKNEMR-WDEREUQCSA-N -1 3 380.215 3.115 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCc2cc(O)ccc2C1 ZINC000683571950 567132894 /nfs/dbraw/zinc/13/28/94/567132894.db2.gz AJASQCCKPKUSTP-AWEZNQCLSA-N -1 3 391.265 3.217 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522831514 567132897 /nfs/dbraw/zinc/13/28/97/567132897.db2.gz QCJKBABUOWIHBZ-CQSZACIVSA-N -1 3 390.281 3.400 20 0 GGADHM COCC[C@]1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOC1 ZINC000683548779 567133584 /nfs/dbraw/zinc/13/35/84/567133584.db2.gz ZUILDBVPFJWDSX-HNNXBMFYSA-N -1 3 375.899 3.029 20 0 GGADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1ccccn1)c1cncc(Cl)c1 ZINC000497938157 567134166 /nfs/dbraw/zinc/13/41/66/567134166.db2.gz LWXNTNHLXSXDTM-KRWDZBQOSA-N -1 3 377.828 3.337 20 0 GGADHM O=S(=O)([N-]CCc1nc(CCC2CC2)no1)c1c(Cl)cccc1Cl ZINC000546533470 567134975 /nfs/dbraw/zinc/13/49/75/567134975.db2.gz RMKAXNFASCZAAI-UHFFFAOYSA-N -1 3 390.292 3.240 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cccc(Br)c2C)s1 ZINC000474111006 567135642 /nfs/dbraw/zinc/13/56/42/567135642.db2.gz RKMFWVHDZWUBDT-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000497949429 567135751 /nfs/dbraw/zinc/13/57/51/567135751.db2.gz DXNDPMLJHOCVEB-NXEZZACHSA-N -1 3 399.740 3.339 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@H](O)C(F)(F)F ZINC000497950982 567136015 /nfs/dbraw/zinc/13/60/15/567136015.db2.gz OCSXKSUAMVFYGP-OCCSQVGLSA-N -1 3 381.803 3.473 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000546540257 567136285 /nfs/dbraw/zinc/13/62/85/567136285.db2.gz JLZPKRVDLIRJFV-UHFFFAOYSA-N -1 3 393.734 3.033 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)Sc1ccc(Br)cc1)C2 ZINC000636283443 567137161 /nfs/dbraw/zinc/13/71/61/567137161.db2.gz KFVSWLKHPHJAQM-VIFPVBQESA-N -1 3 394.294 3.276 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCc1cc(Cl)ccc1Br)C2 ZINC000636284228 567137396 /nfs/dbraw/zinc/13/73/96/567137396.db2.gz OYYLBTJSKPXHRN-UHFFFAOYSA-N -1 3 396.672 3.382 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCSc1ccccc1Br)C2 ZINC000636283220 567137478 /nfs/dbraw/zinc/13/74/78/567137478.db2.gz FNIJKTYKHLRYNH-UHFFFAOYSA-N -1 3 394.294 3.278 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474120427 567137383 /nfs/dbraw/zinc/13/73/83/567137383.db2.gz YCQFRDWGPVCLKQ-KOLCDFICSA-N -1 3 396.228 3.051 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)C2 ZINC000636284593 567138139 /nfs/dbraw/zinc/13/81/39/567138139.db2.gz QPPAXQLRWJCFPZ-VIFPVBQESA-N -1 3 394.244 3.113 20 0 GGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc2[nH]1 ZINC000432204451 567138019 /nfs/dbraw/zinc/13/80/19/567138019.db2.gz TZEBRTVXPDLRHG-UHFFFAOYSA-N -1 3 397.225 3.231 20 0 GGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283879 567138308 /nfs/dbraw/zinc/13/83/08/567138308.db2.gz DVFICVMPACRARS-CYBMUJFWSA-N -1 3 390.281 3.364 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C)c1nccs1 ZINC000474132699 567138355 /nfs/dbraw/zinc/13/83/55/567138355.db2.gz MKXYSDJETWIBHM-QGZVFWFLSA-N -1 3 382.507 3.150 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCSc1ccc(Br)cc1)C2 ZINC000636284043 567138351 /nfs/dbraw/zinc/13/83/51/567138351.db2.gz SFGWVNXRQKNGIM-UHFFFAOYSA-N -1 3 394.294 3.278 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@H](O)C(F)(F)F ZINC000497978160 567138872 /nfs/dbraw/zinc/13/88/72/567138872.db2.gz CMFVHBQFGULZHA-SCZZXKLOSA-N -1 3 399.740 3.339 20 0 GGADHM Cc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)sc1C ZINC000683619777 567139089 /nfs/dbraw/zinc/13/90/89/567139089.db2.gz LHDARZSQMXEBCX-UHFFFAOYSA-N -1 3 393.412 3.403 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(Cc3ccccc3Br)CC1)C2 ZINC000636286955 567139521 /nfs/dbraw/zinc/13/95/21/567139521.db2.gz QCGSLZMBIVSYOQ-UHFFFAOYSA-N -1 3 388.265 3.118 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c(Cl)c1 ZINC000474145439 567140151 /nfs/dbraw/zinc/14/01/51/567140151.db2.gz QGQZNCUAGFWHFU-UHFFFAOYSA-N -1 3 383.857 3.146 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C1CCCCC1 ZINC000497992995 567140412 /nfs/dbraw/zinc/14/04/12/567140412.db2.gz KGJSGUPSNMXQET-UHFFFAOYSA-N -1 3 391.530 3.114 20 0 GGADHM CN(CC(C)(C)C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000588864505 567141170 /nfs/dbraw/zinc/14/11/70/567141170.db2.gz VJLYJNDPRMEUJO-UHFFFAOYSA-N -1 3 381.325 3.166 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cscc1Br ZINC000614824186 567141437 /nfs/dbraw/zinc/14/14/37/567141437.db2.gz DGASVGFOHLMGIG-BDAKNGLRSA-N -1 3 398.282 3.004 20 0 GGADHM C[C@H](NC(=O)c1cscc1Br)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824188 567141572 /nfs/dbraw/zinc/14/15/72/567141572.db2.gz DGASVGFOHLMGIG-IUCAKERBSA-N -1 3 398.282 3.004 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)nc1C ZINC000432259078 567142218 /nfs/dbraw/zinc/14/22/18/567142218.db2.gz NLUQJUOXTHPHHN-AWEZNQCLSA-N -1 3 375.416 3.226 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)CC2(C)C)cc1 ZINC000474160798 567142238 /nfs/dbraw/zinc/14/22/38/567142238.db2.gz VOMIRRIKINQNEK-CQSZACIVSA-N -1 3 388.555 3.038 20 0 GGADHM CC1(C)CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000588885970 567142278 /nfs/dbraw/zinc/14/22/78/567142278.db2.gz CVDXDEKIUWSGGS-UHFFFAOYSA-N -1 3 393.336 3.310 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c1 ZINC000614830744 567143186 /nfs/dbraw/zinc/14/31/86/567143186.db2.gz QKBSNRLRYDFYGJ-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1cc(F)cc(Cl)c1 ZINC000432278201 567143943 /nfs/dbraw/zinc/14/39/43/567143943.db2.gz YJRBHKGAZWJBPX-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000588907976 567144035 /nfs/dbraw/zinc/14/40/35/567144035.db2.gz GPJAXSNGVLESDE-UHFFFAOYSA-N -1 3 394.294 3.155 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)c1 ZINC000432276300 567144105 /nfs/dbraw/zinc/14/41/05/567144105.db2.gz HRUMJUGDEULWIT-UHFFFAOYSA-N -1 3 375.418 3.125 20 0 GGADHM COc1cc(C2(C(=O)N=c3[n-]n(C)cc3Br)CCCC2)ccc1C ZINC000566261314 567144126 /nfs/dbraw/zinc/14/41/26/567144126.db2.gz DSYQJQZXHHCEBF-UHFFFAOYSA-N -1 3 392.297 3.372 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[n-]1 ZINC000566260742 567144550 /nfs/dbraw/zinc/14/45/50/567144550.db2.gz GLICEUNDZOOMQI-WDEREUQCSA-N -1 3 399.086 3.109 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000432288255 567145047 /nfs/dbraw/zinc/14/50/47/567145047.db2.gz ZIGKECPCUGOGCM-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO[C@H]1C1CC1 ZINC000546633670 567145120 /nfs/dbraw/zinc/14/51/20/567145120.db2.gz HRWQJAWXZHKTTH-LSDHHAIUSA-N -1 3 392.290 3.072 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000432295051 567145729 /nfs/dbraw/zinc/14/57/29/567145729.db2.gz VMVWKTJOUMAFSA-UHFFFAOYSA-N -1 3 379.821 3.351 20 0 GGADHM CSc1nc(C2CC2)nc(C)c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636351242 567146559 /nfs/dbraw/zinc/14/65/59/567146559.db2.gz DDYCFEWXKKERCD-JTQLQIEISA-N -1 3 377.495 3.340 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)cc1F ZINC000432301264 567147124 /nfs/dbraw/zinc/14/71/24/567147124.db2.gz INRKZVGIWBSZAS-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc2c(cc1Br)OCO2 ZINC000636357335 567148175 /nfs/dbraw/zinc/14/81/75/567148175.db2.gz APPPYLTXSFJJKD-SECBINFHSA-N -1 3 398.238 3.133 20 0 GGADHM Cc1ccccc1-n1ncc(C(=O)Nc2cc(Br)ccc2[O-])c1N ZINC000546698707 567149346 /nfs/dbraw/zinc/14/93/46/567149346.db2.gz BKTQMGYVTROXNZ-UHFFFAOYSA-N -1 3 387.237 3.483 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000546677372 567149635 /nfs/dbraw/zinc/14/96/35/567149635.db2.gz LDINYIZZOGMYPP-JTQLQIEISA-N -1 3 378.841 3.012 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCC1CC(OC(C)(C)C)C1 ZINC000432332078 567150559 /nfs/dbraw/zinc/15/05/59/567150559.db2.gz TWEJEJMEPBANLF-UHFFFAOYSA-N -1 3 389.539 3.105 20 0 GGADHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000683748908 567150546 /nfs/dbraw/zinc/15/05/46/567150546.db2.gz QEJNKYJTWYOKLQ-UHFFFAOYSA-N -1 3 375.194 3.448 20 0 GGADHM CSCc1nnc(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)o1 ZINC000589041173 567150815 /nfs/dbraw/zinc/15/08/15/567150815.db2.gz IDNKMVBRCZLXNK-UHFFFAOYSA-N -1 3 382.492 3.034 20 0 GGADHM C[C@H]1CCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000546715661 567151167 /nfs/dbraw/zinc/15/11/67/567151167.db2.gz ZVADTMNDXCMCKM-QWHCGFSZSA-N -1 3 398.575 3.454 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOc2c(OC)cccc21 ZINC000683759616 567151572 /nfs/dbraw/zinc/15/15/72/567151572.db2.gz VSEOCMUAUJMLBT-ZDUSSCGKSA-N -1 3 383.853 3.159 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000683760870 567151894 /nfs/dbraw/zinc/15/18/94/567151894.db2.gz UDJDXEIQBWQEQK-LLVKDONJSA-N -1 3 375.780 3.039 20 0 GGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCn1cc(Br)cn1 ZINC000566357789 567152147 /nfs/dbraw/zinc/15/21/47/567152147.db2.gz MJILUQJSJMFLGD-UHFFFAOYSA-N -1 3 384.249 3.020 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000683760598 567152101 /nfs/dbraw/zinc/15/21/01/567152101.db2.gz ZOSPSZGLMSRPJT-UHFFFAOYSA-N -1 3 383.750 3.384 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOc2c(OC)cccc21 ZINC000683759615 567152319 /nfs/dbraw/zinc/15/23/19/567152319.db2.gz VSEOCMUAUJMLBT-CYBMUJFWSA-N -1 3 383.853 3.159 20 0 GGADHM COc1ccc([O-])c(C(=O)NCc2cc(OC)c(OC)cc2Br)c1 ZINC000589064532 567152905 /nfs/dbraw/zinc/15/29/05/567152905.db2.gz IREBJDYUDDCOMA-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM CO[C@@H](c1ccccc1)[C@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000683816694 567155562 /nfs/dbraw/zinc/15/55/62/567155562.db2.gz VVPCBGZONARFHD-BLLLJJGKSA-N -1 3 388.942 3.046 20 0 GGADHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c1 ZINC000615065263 567155632 /nfs/dbraw/zinc/15/56/32/567155632.db2.gz KEJOBMHRRPJRRJ-ZANVPECISA-N -1 3 383.516 3.213 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2cccc(Cl)c2Cl)ccc1F ZINC000523404669 567156140 /nfs/dbraw/zinc/15/61/40/567156140.db2.gz SDXVYUDXXMNAQD-UHFFFAOYSA-N -1 3 391.251 3.434 20 0 GGADHM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000474292393 567156420 /nfs/dbraw/zinc/15/64/20/567156420.db2.gz JJCGQABRTINMKE-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000498171214 567156642 /nfs/dbraw/zinc/15/66/42/567156642.db2.gz ARTZGLFCWOGWEM-LBPRGKRZSA-N -1 3 378.475 3.207 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccc(CC)cc1 ZINC000589123470 567157803 /nfs/dbraw/zinc/15/78/03/567157803.db2.gz TXBRDLKMDORWFE-SMDDNHRTSA-N -1 3 381.416 3.114 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000589126188 567158015 /nfs/dbraw/zinc/15/80/15/567158015.db2.gz BEVNIOHSSFONTJ-WCQYABFASA-N -1 3 397.440 3.027 20 0 GGADHM O=S(=O)([N-]CCOc1ncc(Cl)cc1Cl)c1cc(F)cc(F)c1 ZINC000474302320 567158125 /nfs/dbraw/zinc/15/81/25/567158125.db2.gz LIOAAZASPDZYEK-UHFFFAOYSA-N -1 3 383.203 3.024 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cccc2nn[n-]c21 ZINC000683887614 567160477 /nfs/dbraw/zinc/16/04/77/567160477.db2.gz REINAHYVJHRFJU-LBPRGKRZSA-N -1 3 375.251 3.297 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cccc2[n-]nnc21 ZINC000683887614 567160480 /nfs/dbraw/zinc/16/04/80/567160480.db2.gz REINAHYVJHRFJU-LBPRGKRZSA-N -1 3 375.251 3.297 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cccc2n[n-]nc21 ZINC000683887614 567160485 /nfs/dbraw/zinc/16/04/85/567160485.db2.gz REINAHYVJHRFJU-LBPRGKRZSA-N -1 3 375.251 3.297 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1OCC1CC1)c1cncc(Br)c1 ZINC000523521171 567161045 /nfs/dbraw/zinc/16/10/45/567161045.db2.gz SCDHWPCXXNYMGA-UHFFFAOYSA-N -1 3 397.294 3.111 20 0 GGADHM Cc1cc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)ccc1[O-] ZINC000615126118 567161569 /nfs/dbraw/zinc/16/15/69/567161569.db2.gz GIIFDMJZWJPCJK-AWEZNQCLSA-N -1 3 377.238 3.152 20 0 GGADHM COc1cc([N-]C(=O)c2cc(COC(C)(C)C)on2)ncc1Br ZINC000474354669 567162637 /nfs/dbraw/zinc/16/26/37/567162637.db2.gz JWYCSDVQCFIMBB-UHFFFAOYSA-N -1 3 384.230 3.408 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cc(C)cs2)cc1OC ZINC000454300227 567162954 /nfs/dbraw/zinc/16/29/54/567162954.db2.gz IEYXBQACTYCMQR-UHFFFAOYSA-N -1 3 383.495 3.148 20 0 GGADHM Cc1ccc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c([O-])c1C ZINC000615127857 567162985 /nfs/dbraw/zinc/16/29/85/567162985.db2.gz ULNOOYKYRHAECF-CQSZACIVSA-N -1 3 391.265 3.460 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccc(Br)cc2)C2CCC2)cn1C ZINC000589167902 567163273 /nfs/dbraw/zinc/16/32/73/567163273.db2.gz ITZPQDCXBODJQZ-INIZCTEOSA-N -1 3 398.326 3.311 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000474373393 567163694 /nfs/dbraw/zinc/16/36/94/567163694.db2.gz DAWGBWFMZHNWRZ-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM O=S(=O)(CCOc1ccccc1)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000566530264 567164255 /nfs/dbraw/zinc/16/42/55/567164255.db2.gz ZKXOLJAUVFFPCZ-AWEZNQCLSA-N -1 3 388.272 3.425 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccco2)CCCN1c1ccc(Cl)cc1Cl ZINC000474381733 567165098 /nfs/dbraw/zinc/16/50/98/567165098.db2.gz YWBZMDLKWRFBBX-GFCCVEGCSA-N -1 3 389.260 3.060 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@H]1CCCO1 ZINC000683954702 567165469 /nfs/dbraw/zinc/16/54/69/567165469.db2.gz LENWKNOVCKUQTJ-CHWSQXEVSA-N -1 3 382.309 3.083 20 0 GGADHM CC[C@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474375937 567165372 /nfs/dbraw/zinc/16/53/72/567165372.db2.gz LVMHTVNFZZAFOE-GWCFXTLKSA-N -1 3 379.309 3.064 20 0 GGADHM CC(C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474379676 567165431 /nfs/dbraw/zinc/16/54/31/567165431.db2.gz ZSFNQBNQKUIWAU-ZDUSSCGKSA-N -1 3 379.309 3.064 20 0 GGADHM CC(C)CCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474379130 567165487 /nfs/dbraw/zinc/16/54/87/567165487.db2.gz UVUPQHAUMUQIKH-CYBMUJFWSA-N -1 3 379.309 3.064 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)c1 ZINC000474386711 567166437 /nfs/dbraw/zinc/16/64/37/567166437.db2.gz DVOQVRUNLHTAJY-VIFPVBQESA-N -1 3 383.422 3.460 20 0 GGADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(C)C ZINC000474387085 567167022 /nfs/dbraw/zinc/16/70/22/567167022.db2.gz AMKQFIIUXUWMBF-ZFWWWQNUSA-N -1 3 393.933 3.093 20 0 GGADHM O=S(=O)([N-]CCOC(F)(F)F)c1cc(Cl)ccc1OCCC1CC1 ZINC000474397031 567168246 /nfs/dbraw/zinc/16/82/46/567168246.db2.gz XJZMHTRMHYXTQM-UHFFFAOYSA-N -1 3 387.807 3.334 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)CC2CCCC2)CCN1c1ccc(Cl)cc1Cl ZINC000474394449 567168484 /nfs/dbraw/zinc/16/84/84/567168484.db2.gz YNRFCWRIPRFWMZ-CQSZACIVSA-N -1 3 391.320 3.208 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1ccc(Br)s1 ZINC000523734541 567168840 /nfs/dbraw/zinc/16/88/40/567168840.db2.gz YSABGRGKGXTRMP-UHFFFAOYSA-N -1 3 398.307 3.175 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)c1Cl ZINC000615209827 567169475 /nfs/dbraw/zinc/16/94/75/567169475.db2.gz JGEMOBVGHRZZMS-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(F)cccc1F ZINC000523733699 567169868 /nfs/dbraw/zinc/16/98/68/567169868.db2.gz KTEUYYVYCISEHN-AWEZNQCLSA-N -1 3 392.830 3.339 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1C ZINC000566581726 567169906 /nfs/dbraw/zinc/16/99/06/567169906.db2.gz JDFIRTCJPINMOK-UHFFFAOYSA-N -1 3 382.869 3.160 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2nnc(SCc3cccs3)s2)ccn1 ZINC000432590111 567170380 /nfs/dbraw/zinc/17/03/80/567170380.db2.gz YBOSEHMUWBIGRU-UHFFFAOYSA-N -1 3 392.487 3.326 20 0 GGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000546889270 567170496 /nfs/dbraw/zinc/17/04/96/567170496.db2.gz MFCIGPGHRATPID-QMMMGPOBSA-N -1 3 390.221 3.467 20 0 GGADHM CCc1noc(-c2ccc(Br)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000546936634 567171508 /nfs/dbraw/zinc/17/15/08/567171508.db2.gz LUMFDPVIXHMINZ-UHFFFAOYSA-N -1 3 388.287 3.138 20 0 GGADHM COc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(Br)c1[O-] ZINC000546912069 567171872 /nfs/dbraw/zinc/17/18/72/567171872.db2.gz TYJXIAONFQNMDI-CQSZACIVSA-N -1 3 388.225 3.010 20 0 GGADHM O=C(NCCC[C@@H]1CCCCO1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000546922604 567172213 /nfs/dbraw/zinc/17/22/13/567172213.db2.gz FKOCTERWAMBVPN-ZDUSSCGKSA-N -1 3 393.281 3.370 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c(F)c1 ZINC000615249258 567173019 /nfs/dbraw/zinc/17/30/19/567173019.db2.gz ISLKIDXNTIJQGO-UHFFFAOYSA-N -1 3 376.862 3.020 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)c(F)c1 ZINC000615245820 567173112 /nfs/dbraw/zinc/17/31/12/567173112.db2.gz XMUXJQOUJCCOEY-UHFFFAOYSA-N -1 3 378.450 3.477 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)s1 ZINC000615245620 567173347 /nfs/dbraw/zinc/17/33/47/567173347.db2.gz HZHJVEBWYYGAGV-UHFFFAOYSA-N -1 3 380.516 3.077 20 0 GGADHM COc1cc(CC(=O)Nc2cc(Br)ccc2[O-])cc(OC)c1O ZINC000684055575 567173587 /nfs/dbraw/zinc/17/35/87/567173587.db2.gz AMUIFTSMEYKRHG-UHFFFAOYSA-N -1 3 382.210 3.059 20 0 GGADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1 ZINC000615252957 567173737 /nfs/dbraw/zinc/17/37/37/567173737.db2.gz RWMPOUQXZKXBDG-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM COc1ccc(CN2CCN(c3ncccc3F)CC2)c(Br)c1[O-] ZINC000546963293 567174474 /nfs/dbraw/zinc/17/44/74/567174474.db2.gz ZIJOEMFKSUFFTC-UHFFFAOYSA-N -1 3 396.260 3.020 20 0 GGADHM CC(C)[C@](C)(O)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000474477903 567175351 /nfs/dbraw/zinc/17/53/51/567175351.db2.gz NOLXUAYXWXCLQK-HNNXBMFYSA-N -1 3 386.677 3.260 20 0 GGADHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000615275632 567175902 /nfs/dbraw/zinc/17/59/02/567175902.db2.gz POGORCUHSMOHLI-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1 ZINC000615270637 567175990 /nfs/dbraw/zinc/17/59/90/567175990.db2.gz GBQGJHQCUQNJBE-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM COc1ccc(CN2CCN(c3ncc(C)s3)CC2)c(Br)c1[O-] ZINC000546975390 567177128 /nfs/dbraw/zinc/17/71/28/567177128.db2.gz YSDZSWUXLAAGHI-UHFFFAOYSA-N -1 3 398.326 3.250 20 0 GGADHM CCC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000589458768 567179251 /nfs/dbraw/zinc/17/92/51/567179251.db2.gz XNBHKOYEBWOEAI-MRXNPFEDSA-N -1 3 377.238 3.361 20 0 GGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000474575463 567179520 /nfs/dbraw/zinc/17/95/20/567179520.db2.gz MLLOVCSMQBZFMM-GFCCVEGCSA-N -1 3 395.750 3.254 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000474587163 567181022 /nfs/dbraw/zinc/18/10/22/567181022.db2.gz RQFLPXBQILBZIN-SCLBCKFNSA-N -1 3 382.913 3.318 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000474587164 567181044 /nfs/dbraw/zinc/18/10/44/567181044.db2.gz RQFLPXBQILBZIN-UGSOOPFHSA-N -1 3 382.913 3.318 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2Cc3ccccc3C2)no1)c1ccc(Cl)s1 ZINC000547088177 567183071 /nfs/dbraw/zinc/18/30/71/567183071.db2.gz JHBFZMLIMVUOJZ-UHFFFAOYSA-N -1 3 395.893 3.145 20 0 GGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000589554663 567183905 /nfs/dbraw/zinc/18/39/05/567183905.db2.gz PILQZYAZJCDWLU-UHFFFAOYSA-N -1 3 381.837 3.059 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1csnn1 ZINC000566727158 567184179 /nfs/dbraw/zinc/18/41/79/567184179.db2.gz WWQMXSNLIFRVJQ-VIFPVBQESA-N -1 3 382.536 3.485 20 0 GGADHM Cc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)ccc1[O-] ZINC000498547809 567184465 /nfs/dbraw/zinc/18/44/65/567184465.db2.gz VDFPPGACFDGHAE-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1csnn1 ZINC000566727157 567184502 /nfs/dbraw/zinc/18/45/02/567184502.db2.gz WWQMXSNLIFRVJQ-SECBINFHSA-N -1 3 382.536 3.485 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(I)ccc1F ZINC000474656713 567186367 /nfs/dbraw/zinc/18/63/67/567186367.db2.gz JMTWWXPUDDKYGP-UHFFFAOYSA-N -1 3 399.135 3.472 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(Br)cc1F)c1cncc(F)c1 ZINC000524188553 567186752 /nfs/dbraw/zinc/18/67/52/567186752.db2.gz AZYZVZXJHVKEBI-UHFFFAOYSA-N -1 3 391.237 3.033 20 0 GGADHM Cc1cc(C)c2c(c1)N(C(=O)CC[N-]S(=O)(=O)c1cccs1)CCC2 ZINC000524174460 567187372 /nfs/dbraw/zinc/18/73/72/567187372.db2.gz QCGSSMNDHHVSKS-UHFFFAOYSA-N -1 3 378.519 3.013 20 0 GGADHM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1 ZINC000432772738 567187960 /nfs/dbraw/zinc/18/79/60/567187960.db2.gz AAHIJWSSKXZSDC-UHFFFAOYSA-N -1 3 383.853 3.173 20 0 GGADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000498570409 567188138 /nfs/dbraw/zinc/18/81/38/567188138.db2.gz MWGJGTNZEYJNFV-UHFFFAOYSA-N -1 3 385.844 3.053 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000589684859 567189724 /nfs/dbraw/zinc/18/97/24/567189724.db2.gz YSHUKOCECAKMOJ-HNNXBMFYSA-N -1 3 376.865 3.129 20 0 GGADHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000589682160 567189975 /nfs/dbraw/zinc/18/99/75/567189975.db2.gz UIGCAHJZTLBNBT-SECBINFHSA-N -1 3 385.222 3.445 20 0 GGADHM Cc1ccc(-c2nsc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2)s1 ZINC000589697171 567190780 /nfs/dbraw/zinc/19/07/80/567190780.db2.gz KCFZKZAAMHYELT-UHFFFAOYSA-N -1 3 394.503 3.199 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccs1 ZINC000589697733 567190871 /nfs/dbraw/zinc/19/08/71/567190871.db2.gz NXSMFUMVMQQTRR-QMMMGPOBSA-N -1 3 399.437 3.411 20 0 GGADHM CSc1nnc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)[n-]1 ZINC000589692023 567191035 /nfs/dbraw/zinc/19/10/35/567191035.db2.gz NYYJYJSKYODDDT-UHFFFAOYSA-N -1 3 394.913 3.405 20 0 GGADHM CSc1n[n-]c(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)n1 ZINC000589692023 567191040 /nfs/dbraw/zinc/19/10/40/567191040.db2.gz NYYJYJSKYODDDT-UHFFFAOYSA-N -1 3 394.913 3.405 20 0 GGADHM CSc1nc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)n[n-]1 ZINC000589692023 567191045 /nfs/dbraw/zinc/19/10/45/567191045.db2.gz NYYJYJSKYODDDT-UHFFFAOYSA-N -1 3 394.913 3.405 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000566815653 567192415 /nfs/dbraw/zinc/19/24/15/567192415.db2.gz IZRIJUGYRKGHFO-AWEZNQCLSA-N -1 3 394.244 3.255 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc2ccccc2c(=O)[nH]1 ZINC000432787810 567192592 /nfs/dbraw/zinc/19/25/92/567192592.db2.gz USSMKAXQPCOUDA-UHFFFAOYSA-N -1 3 383.205 3.025 20 0 GGADHM CN(Cc1ccsc1)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000684253754 567192730 /nfs/dbraw/zinc/19/27/30/567192730.db2.gz RYUMCEUZKXSURA-UHFFFAOYSA-N -1 3 392.424 3.411 20 0 GGADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc(OC)c1[O-] ZINC000547271741 567194787 /nfs/dbraw/zinc/19/47/87/567194787.db2.gz XOATVNBMCOZUFA-UONOGXRCSA-N -1 3 392.249 3.458 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000684275187 567195399 /nfs/dbraw/zinc/19/53/99/567195399.db2.gz QJLAWDOKFDSZFH-CQSZACIVSA-N -1 3 376.400 3.092 20 0 GGADHM Cc1ccc(CO[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000637376029 567195772 /nfs/dbraw/zinc/19/57/72/567195772.db2.gz DAORYQSTJVWHCA-NSHDSACASA-N -1 3 375.778 3.373 20 0 GGADHM O=S(=O)([N-]CCN1CCCCCC1)c1cc(Br)ccc1Cl ZINC000589888338 567197324 /nfs/dbraw/zinc/19/73/24/567197324.db2.gz XZENHYSZKSVSDR-UHFFFAOYSA-N -1 3 395.750 3.257 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000524408769 567197665 /nfs/dbraw/zinc/19/76/65/567197665.db2.gz LFLSFTUTZWVJQG-SNVBAGLBSA-N -1 3 397.287 3.359 20 0 GGADHM C[C@H]1CN(CCCN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CCCO1 ZINC000432856218 567198337 /nfs/dbraw/zinc/19/83/37/567198337.db2.gz YUIHIYHEHNRRDU-AWEZNQCLSA-N -1 3 380.945 3.117 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc(C(F)(F)F)c1 ZINC000684298910 567199283 /nfs/dbraw/zinc/19/92/83/567199283.db2.gz PUIMSVUZAKTQKO-IINYFYTJSA-N -1 3 376.400 3.092 20 0 GGADHM C[C@]1(CCC(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CCC(=O)N1 ZINC000547324008 567200140 /nfs/dbraw/zinc/20/01/40/567200140.db2.gz HKICQOQAWUVBTL-INIZCTEOSA-N -1 3 382.251 3.166 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCOc3c(Br)cccc3C2)c1 ZINC000684330162 567201302 /nfs/dbraw/zinc/20/13/02/567201302.db2.gz PKIVSEDNMLQIRX-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N(CC1CC1)C1CCCCC1 ZINC000589960357 567201472 /nfs/dbraw/zinc/20/14/72/567201472.db2.gz AHTSPUHZUNWKOX-UHFFFAOYSA-N -1 3 390.958 3.251 20 0 GGADHM CC(C)C(C)(C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000566933673 567203059 /nfs/dbraw/zinc/20/30/59/567203059.db2.gz ANVIMUBNBRXWOS-UHFFFAOYSA-N -1 3 396.340 3.006 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)sc1Br ZINC000547340485 567203146 /nfs/dbraw/zinc/20/31/46/567203146.db2.gz UPNJPBKMUKIQKI-OCCSQVGLSA-N -1 3 394.356 3.303 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000498800645 567203225 /nfs/dbraw/zinc/20/32/25/567203225.db2.gz AUZSQTHZXRDAPM-INIZCTEOSA-N -1 3 380.535 3.416 20 0 GGADHM CC1CCC(CC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000524537345 567203431 /nfs/dbraw/zinc/20/34/31/567203431.db2.gz NTXDBJFAVLWTGW-UHFFFAOYSA-N -1 3 384.567 3.234 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)cc1Cl ZINC000524593123 567203956 /nfs/dbraw/zinc/20/39/56/567203956.db2.gz ISVBSRBOZXCNLX-UHFFFAOYSA-N -1 3 392.786 3.194 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CN(C)C[C@H]2c2ccccc2)c(Cl)cc1F ZINC000498848267 567204873 /nfs/dbraw/zinc/20/48/73/567204873.db2.gz CDMNENDIGPKDNX-YOEHRIQHSA-N -1 3 382.888 3.164 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)CCCO1 ZINC000566972159 567206591 /nfs/dbraw/zinc/20/65/91/567206591.db2.gz UTKQAVNHMPOAIK-ZDUSSCGKSA-N -1 3 382.707 3.091 20 0 GGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000590071247 567206733 /nfs/dbraw/zinc/20/67/33/567206733.db2.gz UMAAZORBXLNWOG-BBRMVZONSA-N -1 3 380.535 3.245 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(F)F ZINC000454858067 567207979 /nfs/dbraw/zinc/20/79/79/567207979.db2.gz QPGUQDAWIGEZNM-LLVKDONJSA-N -1 3 381.420 3.068 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000567002847 567209893 /nfs/dbraw/zinc/20/98/93/567209893.db2.gz JUOIQDZMXIYUFF-ZDUSSCGKSA-N -1 3 378.441 3.459 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cc3ccccc3o2)cs1)[C@H]1CCCOC1 ZINC000547471470 567211185 /nfs/dbraw/zinc/21/11/85/567211185.db2.gz FYQHRIXXGVJQCR-ZDUSSCGKSA-N -1 3 378.475 3.155 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cc3ccccc3o2)cs1)[C@@H]1CCCOC1 ZINC000547471469 567212180 /nfs/dbraw/zinc/21/21/80/567212180.db2.gz FYQHRIXXGVJQCR-CYBMUJFWSA-N -1 3 378.475 3.155 20 0 GGADHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000547474443 567213490 /nfs/dbraw/zinc/21/34/90/567213490.db2.gz JJQPVZMCYFGSMN-HNNXBMFYSA-N -1 3 399.285 3.053 20 0 GGADHM C[C@H]1CCCN(Cc2csc(NC(=O)c3csc(=NC4CC4)[n-]3)n2)C1 ZINC000524852365 567216377 /nfs/dbraw/zinc/21/63/77/567216377.db2.gz PZKSGOVQRUSUIR-NSHDSACASA-N -1 3 377.539 3.080 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000524856037 567216403 /nfs/dbraw/zinc/21/64/03/567216403.db2.gz ICYGMHNZNJDVLI-GFCCVEGCSA-N -1 3 380.491 3.186 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1sccc1C1CC1 ZINC000524838545 567216776 /nfs/dbraw/zinc/21/67/76/567216776.db2.gz WHVKORQMVMHWHI-UHFFFAOYSA-N -1 3 380.466 3.458 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CN=c2[nH]c3cc(Cl)cc(Cl)c3o2)s1 ZINC000433018249 567216857 /nfs/dbraw/zinc/21/68/57/567216857.db2.gz CXIJLNOJKZPPNB-UHFFFAOYSA-N -1 3 392.289 3.138 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1noc2c1CCCC2 ZINC000590271290 567218140 /nfs/dbraw/zinc/21/81/40/567218140.db2.gz GVWVWJDAJXCVSV-UHFFFAOYSA-N -1 3 388.225 3.353 20 0 GGADHM O=S(=O)([N-][C@H]1CCN2CCCC[C@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100659 567218523 /nfs/dbraw/zinc/21/85/23/567218523.db2.gz VVYBEXMTGOFRFP-QWHCGFSZSA-N -1 3 382.835 3.264 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000684594144 567219377 /nfs/dbraw/zinc/21/93/77/567219377.db2.gz SQIUGHOTPGPMFG-UHFFFAOYSA-N -1 3 384.242 3.171 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(CCOC)CCC1 ZINC000684602378 567220999 /nfs/dbraw/zinc/22/09/99/567220999.db2.gz HSEBPQHBEXKSGG-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM CC(C)c1ncc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000684609070 567222307 /nfs/dbraw/zinc/22/23/07/567222307.db2.gz GFYLPZSQFZLZDY-UHFFFAOYSA-N -1 3 375.372 3.441 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1N(C)C ZINC000499074063 567222642 /nfs/dbraw/zinc/22/26/42/567222642.db2.gz JIVJDBCLAZODRH-UHFFFAOYSA-N -1 3 399.310 3.002 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c(C)nsc2NC2CC2)c1[O-] ZINC000590379386 567222553 /nfs/dbraw/zinc/22/25/53/567222553.db2.gz VYYAWCJEGRDKJR-UHFFFAOYSA-N -1 3 381.841 3.424 20 0 GGADHM CSc1nnc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)[n-]1 ZINC000499074534 567222860 /nfs/dbraw/zinc/22/28/60/567222860.db2.gz WQFVIQIUHLYVTG-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)n1 ZINC000499074534 567222864 /nfs/dbraw/zinc/22/28/64/567222864.db2.gz WQFVIQIUHLYVTG-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM CSc1nc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)n[n-]1 ZINC000499074534 567222869 /nfs/dbraw/zinc/22/28/69/567222869.db2.gz WQFVIQIUHLYVTG-UHFFFAOYSA-N -1 3 393.270 3.036 20 0 GGADHM Cc1cc(CC(C)(C)C(=O)NCc2cnc(C)[n-]c2=O)ccc1Br ZINC000499098482 567224257 /nfs/dbraw/zinc/22/42/57/567224257.db2.gz VBIZUKKBEVDZQP-UHFFFAOYSA-N -1 3 392.297 3.447 20 0 GGADHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C ZINC000567182318 567224622 /nfs/dbraw/zinc/22/46/22/567224622.db2.gz FYCJTWOOWYIKOU-AWEZNQCLSA-N -1 3 375.416 3.423 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000684658570 567225017 /nfs/dbraw/zinc/22/50/17/567225017.db2.gz ADGPYFMVXGWJAL-UHFFFAOYSA-N -1 3 396.734 3.465 20 0 GGADHM C[C@@](CO)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)cc(Cl)c1 ZINC000616077448 567225339 /nfs/dbraw/zinc/22/53/39/567225339.db2.gz VTBWLVXKBPBUKF-KRWDZBQOSA-N -1 3 382.247 3.004 20 0 GGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804958 567225703 /nfs/dbraw/zinc/22/57/03/567225703.db2.gz ISJIYPOQEWKAMN-RYQLBKOJSA-N -1 3 380.282 3.467 20 0 GGADHM CSc1nnc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)[n-]1 ZINC000525062349 567227459 /nfs/dbraw/zinc/22/74/59/567227459.db2.gz YXJRVTADQSELLZ-UHFFFAOYSA-N -1 3 382.877 3.352 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000525062349 567227466 /nfs/dbraw/zinc/22/74/66/567227466.db2.gz YXJRVTADQSELLZ-UHFFFAOYSA-N -1 3 382.877 3.352 20 0 GGADHM CSc1nc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n[n-]1 ZINC000525062349 567227474 /nfs/dbraw/zinc/22/74/74/567227474.db2.gz YXJRVTADQSELLZ-UHFFFAOYSA-N -1 3 382.877 3.352 20 0 GGADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000433156153 567227885 /nfs/dbraw/zinc/22/78/85/567227885.db2.gz AEVPANYTHWOEMK-UHFFFAOYSA-N -1 3 395.836 3.131 20 0 GGADHM COC(=O)[C@@H](Cc1ccccc1)NCc1ccc(OC)c([O-])c1Br ZINC000475155386 567228579 /nfs/dbraw/zinc/22/85/79/567228579.db2.gz SSADLRPJDYUENN-CQSZACIVSA-N -1 3 394.265 3.037 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000567223675 567228714 /nfs/dbraw/zinc/22/87/14/567228714.db2.gz SUGXXKOEWBOHEF-QFIPXVFZSA-N -1 3 379.837 3.298 20 0 GGADHM COC(C)(C)C[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525167447 567230987 /nfs/dbraw/zinc/23/09/87/567230987.db2.gz GBNMYSLKWNMPBD-SNVBAGLBSA-N -1 3 381.270 3.224 20 0 GGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(I)cc1 ZINC000590557476 567232386 /nfs/dbraw/zinc/23/23/86/567232386.db2.gz BIWCGGOXBJEOLH-UHFFFAOYSA-N -1 3 379.157 3.125 20 0 GGADHM O=C(Cc1cccc(I)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590556501 567232408 /nfs/dbraw/zinc/23/24/08/567232408.db2.gz GOANOYYGAGNPRZ-UHFFFAOYSA-N -1 3 393.184 3.054 20 0 GGADHM CCC[C@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590592253 567233522 /nfs/dbraw/zinc/23/35/22/567233522.db2.gz RGLBLTZJBXMZKT-NWDGAFQWSA-N -1 3 378.947 3.155 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000499270688 567233822 /nfs/dbraw/zinc/23/38/22/567233822.db2.gz GNCRWDUAZFOEGY-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000433224827 567235005 /nfs/dbraw/zinc/23/50/05/567235005.db2.gz DHUGHPBWYOCGEP-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000590611101 567235186 /nfs/dbraw/zinc/23/51/86/567235186.db2.gz UYVJGFIZCSIFNF-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c1 ZINC000567307745 567235403 /nfs/dbraw/zinc/23/54/03/567235403.db2.gz SIEYIYSULDUUBE-UHFFFAOYSA-N -1 3 395.836 3.482 20 0 GGADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1ncccc1Cl ZINC000433233871 567235650 /nfs/dbraw/zinc/23/56/50/567235650.db2.gz QJVFOTMXOWEPJA-UHFFFAOYSA-N -1 3 392.644 3.390 20 0 GGADHM Cn1nc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c2ccccc21 ZINC000684765001 567235788 /nfs/dbraw/zinc/23/57/88/567235788.db2.gz UOLUQRPFXAUOEB-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H](C)S1 ZINC000525205842 567236042 /nfs/dbraw/zinc/23/60/42/567236042.db2.gz URNLXVBDGGREPT-AOOOYVTPSA-N -1 3 381.295 3.257 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)c1ccc(Cl)s1 ZINC000659907952 567238873 /nfs/dbraw/zinc/23/88/73/567238873.db2.gz BOVZQMISABCRDS-DOMZBBRYSA-N -1 3 381.947 3.356 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)cn1 ZINC000567372309 567241418 /nfs/dbraw/zinc/24/14/18/567241418.db2.gz VLOSYNKHYWQYAE-UHFFFAOYSA-N -1 3 376.812 3.166 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCCC1 ZINC000567402763 567242945 /nfs/dbraw/zinc/24/29/45/567242945.db2.gz URCDNFUJJQQQEO-UHFFFAOYSA-N -1 3 382.345 3.386 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1cccs1 ZINC000590741573 567243533 /nfs/dbraw/zinc/24/35/33/567243533.db2.gz LNAKZSVLYTXGKM-NWDGAFQWSA-N -1 3 381.466 3.097 20 0 GGADHM CCc1nc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)cn1CC1CC1 ZINC000659985373 567244042 /nfs/dbraw/zinc/24/40/42/567244042.db2.gz ILXIYZNPTZWPQN-QWHCGFSZSA-N -1 3 379.448 3.255 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cc(F)cc2nn[n-]c21 ZINC000433342787 567244387 /nfs/dbraw/zinc/24/43/87/567244387.db2.gz KODZVSIPKXFXAY-ZDUSSCGKSA-N -1 3 375.201 3.277 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cc(F)cc2[n-]nnc21 ZINC000433342787 567244393 /nfs/dbraw/zinc/24/43/93/567244393.db2.gz KODZVSIPKXFXAY-ZDUSSCGKSA-N -1 3 375.201 3.277 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cc(F)cc2n[n-]nc21 ZINC000433342787 567244398 /nfs/dbraw/zinc/24/43/98/567244398.db2.gz KODZVSIPKXFXAY-ZDUSSCGKSA-N -1 3 375.201 3.277 20 0 GGADHM CSCC1CCC([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 ZINC000590759359 567245042 /nfs/dbraw/zinc/24/50/42/567245042.db2.gz GIKKXSLTSOGNKL-XGNXJENSSA-N -1 3 390.596 3.145 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)[C@@H]2CCCO[C@@H]21 ZINC000684910721 567245186 /nfs/dbraw/zinc/24/51/86/567245186.db2.gz AUVXXRYJDVLNAU-FZZIBODNSA-N -1 3 392.290 3.070 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCCCO1 ZINC000684916267 567245335 /nfs/dbraw/zinc/24/53/35/567245335.db2.gz QVPYITKMJAGDPS-CABZTGNLSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000684908524 567245519 /nfs/dbraw/zinc/24/55/19/567245519.db2.gz HNSOHEJLFRSOPY-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000684911195 567245763 /nfs/dbraw/zinc/24/57/63/567245763.db2.gz DWIOVSZQHVCJTR-ZANVPECISA-N -1 3 398.834 3.086 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)[C@@H]2CCCO[C@H]21 ZINC000684910696 567245903 /nfs/dbraw/zinc/24/59/03/567245903.db2.gz AUVXXRYJDVLNAU-CUOATXAZSA-N -1 3 392.290 3.070 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000684913191 567245987 /nfs/dbraw/zinc/24/59/87/567245987.db2.gz XLLQVPXSXFMENV-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)cc1OC ZINC000525404940 567246666 /nfs/dbraw/zinc/24/66/66/567246666.db2.gz NRXRSMOCUKAELP-UHFFFAOYSA-N -1 3 385.844 3.464 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000547793204 567247351 /nfs/dbraw/zinc/24/73/51/567247351.db2.gz LGFRYJLAWOMGHV-CYBMUJFWSA-N -1 3 377.853 3.326 20 0 GGADHM Cn1[n-]c(=NC(=O)N[C@H]2CCCc3sc(Cl)cc32)cc1OC(F)F ZINC000455219536 567248157 /nfs/dbraw/zinc/24/81/57/567248157.db2.gz XULVUVXHKXCSQQ-QMMMGPOBSA-N -1 3 376.816 3.357 20 0 GGADHM O=C(CSc1cccc2cccc(Cl)c21)Nc1nnc(SCCO)[n-]1 ZINC000475437117 567248852 /nfs/dbraw/zinc/24/88/52/567248852.db2.gz AJERXTQKHCERFX-UHFFFAOYSA-N -1 3 394.909 3.427 20 0 GGADHM O=C(CSc1cccc2cccc(Cl)c21)Nc1nc(SCCO)n[n-]1 ZINC000475437117 567248856 /nfs/dbraw/zinc/24/88/56/567248856.db2.gz AJERXTQKHCERFX-UHFFFAOYSA-N -1 3 394.909 3.427 20 0 GGADHM O=C(CSc1cccc2cccc(Cl)c21)Nc1n[n-]c(SCCO)n1 ZINC000475437117 567248860 /nfs/dbraw/zinc/24/88/60/567248860.db2.gz AJERXTQKHCERFX-UHFFFAOYSA-N -1 3 394.909 3.427 20 0 GGADHM CC1(C)CCC(O)(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000660022242 567249690 /nfs/dbraw/zinc/24/96/90/567249690.db2.gz LIUMIUQCYYQZOQ-UHFFFAOYSA-N -1 3 381.416 3.037 20 0 GGADHM CCCC[C@@H](CCC)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433431135 567249696 /nfs/dbraw/zinc/24/96/96/567249696.db2.gz RBINICFETIDMNU-CYBMUJFWSA-N -1 3 394.534 3.082 20 0 GGADHM CSc1nnc(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[n-]1 ZINC000684964210 567249985 /nfs/dbraw/zinc/24/99/85/567249985.db2.gz GTIRBWUWUAWNIZ-NHYWBVRUSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)n1 ZINC000684964210 567249992 /nfs/dbraw/zinc/24/99/92/567249992.db2.gz GTIRBWUWUAWNIZ-NHYWBVRUSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1nc(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)n[n-]1 ZINC000684964210 567249998 /nfs/dbraw/zinc/24/99/98/567249998.db2.gz GTIRBWUWUAWNIZ-NHYWBVRUSA-N -1 3 379.283 3.132 20 0 GGADHM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3nnc(SCCO)[n-]3)cc2C1 ZINC000475457581 567250085 /nfs/dbraw/zinc/25/00/85/567250085.db2.gz IBATYVUEQSDIEM-NSHDSACASA-N -1 3 380.539 3.354 20 0 GGADHM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3nc(SCCO)n[n-]3)cc2C1 ZINC000475457581 567250091 /nfs/dbraw/zinc/25/00/91/567250091.db2.gz IBATYVUEQSDIEM-NSHDSACASA-N -1 3 380.539 3.354 20 0 GGADHM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3n[n-]c(SCCO)n3)cc2C1 ZINC000475457581 567250098 /nfs/dbraw/zinc/25/00/98/567250098.db2.gz IBATYVUEQSDIEM-NSHDSACASA-N -1 3 380.539 3.354 20 0 GGADHM CSc1nnc(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[n-]1 ZINC000684964211 567250544 /nfs/dbraw/zinc/25/05/44/567250544.db2.gz GTIRBWUWUAWNIZ-XHDPSFHLSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)n1 ZINC000684964211 567250547 /nfs/dbraw/zinc/25/05/47/567250547.db2.gz GTIRBWUWUAWNIZ-XHDPSFHLSA-N -1 3 379.283 3.132 20 0 GGADHM CSc1nc(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)n[n-]1 ZINC000684964211 567250553 /nfs/dbraw/zinc/25/05/53/567250553.db2.gz GTIRBWUWUAWNIZ-XHDPSFHLSA-N -1 3 379.283 3.132 20 0 GGADHM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000433447892 567250510 /nfs/dbraw/zinc/25/05/10/567250510.db2.gz RKNDWFDJFFIJRG-UHFFFAOYSA-N -1 3 381.816 3.149 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1cccc(Cl)c1F ZINC000433445950 567250603 /nfs/dbraw/zinc/25/06/03/567250603.db2.gz DAIUNFTUNCLVPH-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM C[C@@H](NCc1cc([O-])ccc1Br)C(=O)N1Cc2ccccc2C1 ZINC000475494106 567251023 /nfs/dbraw/zinc/25/10/23/567251023.db2.gz QKXUEMKKIHSHGZ-GFCCVEGCSA-N -1 3 375.266 3.175 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1cc(F)ccc1Cl ZINC000433468262 567251897 /nfs/dbraw/zinc/25/18/97/567251897.db2.gz HUKPIISLUHFMKY-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1cc(F)cc(Cl)c1 ZINC000433475112 567252331 /nfs/dbraw/zinc/25/23/31/567252331.db2.gz ORTUFXCWQJHDED-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)sc1Cl ZINC000433474310 567252403 /nfs/dbraw/zinc/25/24/03/567252403.db2.gz HWUFYBIXTVIBDG-UHFFFAOYSA-N -1 3 387.845 3.378 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000433472752 567252639 /nfs/dbraw/zinc/25/26/39/567252639.db2.gz VBPHFEMWYMEZNK-LSDHHAIUSA-N -1 3 383.828 3.100 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H]1CCCO1 ZINC000433458582 567252673 /nfs/dbraw/zinc/25/26/73/567252673.db2.gz ULXPBONQIJRRGT-CHWSQXEVSA-N -1 3 375.899 3.027 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000455255765 567253594 /nfs/dbraw/zinc/25/35/94/567253594.db2.gz ZMWOLXQEXXEAFQ-GDBMZVCRSA-N -1 3 375.270 3.171 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2C[C@@H]3CCCC[C@@H]32)cc(C(F)(F)F)c1 ZINC000616723400 567253751 /nfs/dbraw/zinc/25/37/51/567253751.db2.gz DFLSWXZKYGCLEO-HZMBPMFUSA-N -1 3 376.400 3.092 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@]2(CCSC2)C1 ZINC000455254155 567254120 /nfs/dbraw/zinc/25/41/20/567254120.db2.gz WLTBEWCODUFLJG-INIZCTEOSA-N -1 3 395.326 3.270 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000455255772 567254161 /nfs/dbraw/zinc/25/41/61/567254161.db2.gz ZMWOLXQEXXEAFQ-HOCLYGCPSA-N -1 3 375.270 3.171 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl)C1CCCC1 ZINC000660063173 567255293 /nfs/dbraw/zinc/25/52/93/567255293.db2.gz RDIIALBBTGGXJG-LSDHHAIUSA-N -1 3 396.336 3.151 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1Cl)C1Cc2ccccc2C1 ZINC000660064087 567255711 /nfs/dbraw/zinc/25/57/11/567255711.db2.gz ZSRUJBFOCPJMBQ-INIZCTEOSA-N -1 3 386.300 3.114 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C2(CC(C)C)CC2)c(OC)cc1Br ZINC000660064160 567256074 /nfs/dbraw/zinc/25/60/74/567256074.db2.gz KDVNSAATBFCTNY-UHFFFAOYSA-N -1 3 392.315 3.323 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](OC)[C@H](C)CC)c(F)cc1F ZINC000475535287 567256407 /nfs/dbraw/zinc/25/64/07/567256407.db2.gz GCWOAVDASLORRA-BMIGLBTASA-N -1 3 378.441 3.116 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000475537756 567256529 /nfs/dbraw/zinc/25/65/29/567256529.db2.gz IWUSEUXMYILYPS-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cnc3ccsc3c2)s1 ZINC000525631416 567257414 /nfs/dbraw/zinc/25/74/14/567257414.db2.gz DRMYRVYRPAEHJT-UHFFFAOYSA-N -1 3 380.476 3.055 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1ccc(Br)cc1F ZINC000475558693 567257853 /nfs/dbraw/zinc/25/78/53/567257853.db2.gz LKAICEJWWWBZOJ-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM C[C@H]1CSc2ccccc2N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000616828711 567258341 /nfs/dbraw/zinc/25/83/41/567258341.db2.gz AOSBZYJXKSTCNY-CYBMUJFWSA-N -1 3 376.503 3.447 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cn2cc(Br)ccc2n1 ZINC000475585738 567259172 /nfs/dbraw/zinc/25/91/72/567259172.db2.gz KIAYOAGLBJSNGQ-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000616830016 567259373 /nfs/dbraw/zinc/25/93/73/567259373.db2.gz XAKQANXIGBFSLA-CHWSQXEVSA-N -1 3 396.559 3.190 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCOCC(F)(F)F)s1 ZINC000525700237 567259725 /nfs/dbraw/zinc/25/97/25/567259725.db2.gz IYTXGVDBMQATPQ-UHFFFAOYSA-N -1 3 396.250 3.066 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@H](CO)c1ccc(F)cc1F ZINC000660102782 567261004 /nfs/dbraw/zinc/26/10/04/567261004.db2.gz YTDBZWKUWRRQIZ-OAHLLOKOSA-N -1 3 377.359 3.055 20 0 GGADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1Cl ZINC000433609869 567261732 /nfs/dbraw/zinc/26/17/32/567261732.db2.gz XDFURHOMRLKXBN-UHFFFAOYSA-N -1 3 383.853 3.309 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@@H]12)c1cc(Br)sc1Cl ZINC000433625291 567263082 /nfs/dbraw/zinc/26/30/82/567263082.db2.gz LBRNVKCMBVNQQG-BDAKNGLRSA-N -1 3 399.763 3.069 20 0 GGADHM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000660112198 567263176 /nfs/dbraw/zinc/26/31/76/567263176.db2.gz IBGVPFDVKRQZCJ-CMPLNLGQSA-N -1 3 379.425 3.210 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000433628710 567263314 /nfs/dbraw/zinc/26/33/14/567263314.db2.gz OQGKODSJZVSGGM-UHFFFAOYSA-N -1 3 397.703 3.046 20 0 GGADHM CCSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000499651592 567263433 /nfs/dbraw/zinc/26/34/33/567263433.db2.gz WVXZXAWCHAENOR-GFCCVEGCSA-N -1 3 381.947 3.175 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1 ZINC000660121885 567263999 /nfs/dbraw/zinc/26/39/99/567263999.db2.gz PUMYBCYHTMZLOF-HZPDHXFCSA-N -1 3 378.519 3.076 20 0 GGADHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)[N-]c1n[nH]c(C)n1 ZINC000475645661 567264253 /nfs/dbraw/zinc/26/42/53/567264253.db2.gz OHGLGSLRWXAYHM-UHFFFAOYSA-N -1 3 376.214 3.345 20 0 GGADHM O=C(NCc1cc(F)ccc1Br)c1c[n-]nc1-c1ccccn1 ZINC000567653220 567264510 /nfs/dbraw/zinc/26/45/10/567264510.db2.gz NEIUANFFUKAUFL-UHFFFAOYSA-N -1 3 375.201 3.303 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000499672023 567264438 /nfs/dbraw/zinc/26/44/38/567264438.db2.gz CGTJPRCLBKDMEC-SNVBAGLBSA-N -1 3 381.828 3.230 20 0 GGADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000475649856 567264571 /nfs/dbraw/zinc/26/45/71/567264571.db2.gz LJKKBOQXRFPPCZ-NOZJJQNGSA-N -1 3 382.404 3.077 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)sc1Br ZINC000433658319 567264801 /nfs/dbraw/zinc/26/48/01/567264801.db2.gz BKBCZCOMDIRKMI-SECBINFHSA-N -1 3 398.344 3.218 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)c(Br)c1 ZINC000499674255 567265029 /nfs/dbraw/zinc/26/50/29/567265029.db2.gz INVBPJBNZPFYFJ-GWCFXTLKSA-N -1 3 390.299 3.093 20 0 GGADHM C[C@H]1CCN(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000525819554 567265700 /nfs/dbraw/zinc/26/57/00/567265700.db2.gz TXONMBDRCZNROZ-LBPRGKRZSA-N -1 3 385.942 3.084 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cc1C(=O)N(C)C ZINC000525823301 567265865 /nfs/dbraw/zinc/26/58/65/567265865.db2.gz LTBPAHUSFSBIPJ-UHFFFAOYSA-N -1 3 382.869 3.160 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]CCC(F)(F)F)cc1Cl ZINC000433677637 567266505 /nfs/dbraw/zinc/26/65/05/567266505.db2.gz MEQPHBHPXXVVLX-UHFFFAOYSA-N -1 3 396.612 3.342 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)C[C@H]3CCCC(F)(F)C3)CCCCC2)no1 ZINC000685294145 567267161 /nfs/dbraw/zinc/26/71/61/567267161.db2.gz SRKYLNNDQDPJPE-ZDUSSCGKSA-N -1 3 377.457 3.282 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)sc1Br ZINC000433692057 567267894 /nfs/dbraw/zinc/26/78/94/567267894.db2.gz YUAJVMVHQHRKQD-UHFFFAOYSA-N -1 3 398.344 3.219 20 0 GGADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000525835514 567268238 /nfs/dbraw/zinc/26/82/38/567268238.db2.gz LACNZEBTOXONHA-LBPRGKRZSA-N -1 3 398.834 3.480 20 0 GGADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000525835513 567268406 /nfs/dbraw/zinc/26/84/06/567268406.db2.gz LACNZEBTOXONHA-GFCCVEGCSA-N -1 3 398.834 3.480 20 0 GGADHM Cc1c(Br)ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1F ZINC000433727210 567269341 /nfs/dbraw/zinc/26/93/41/567269341.db2.gz MJVSCUPAOCHFSL-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1c(Br)ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1F ZINC000433727210 567269346 /nfs/dbraw/zinc/26/93/46/567269346.db2.gz MJVSCUPAOCHFSL-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1c(Br)ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1F ZINC000433727210 567269348 /nfs/dbraw/zinc/26/93/48/567269348.db2.gz MJVSCUPAOCHFSL-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)cc1F ZINC000499730315 567269736 /nfs/dbraw/zinc/26/97/36/567269736.db2.gz FJRBFQDPIYGGFR-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c1 ZINC000499733028 567269787 /nfs/dbraw/zinc/26/97/87/567269787.db2.gz JQIREKIQBQLXNY-NSHDSACASA-N -1 3 379.400 3.106 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000433746059 567270177 /nfs/dbraw/zinc/27/01/77/567270177.db2.gz YDACMMUHNBISOJ-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499751871 567270814 /nfs/dbraw/zinc/27/08/14/567270814.db2.gz XCAUJFSBXLACLM-SNVBAGLBSA-N -1 3 381.828 3.230 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)N2CCc3sccc3C2)cc1F ZINC000475749272 567271412 /nfs/dbraw/zinc/27/14/12/567271412.db2.gz NAVDTOJLAWZYLC-GFCCVEGCSA-N -1 3 386.489 3.060 20 0 GGADHM O=C(C[C@H]1C=CCCC1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000547975035 567271722 /nfs/dbraw/zinc/27/17/22/567271722.db2.gz KMVAMTBPAOFUSR-LBPRGKRZSA-N -1 3 376.400 3.212 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000525870773 567272351 /nfs/dbraw/zinc/27/23/51/567272351.db2.gz CACKEOBOACTLDI-MGPLVRAMSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000525870773 567272359 /nfs/dbraw/zinc/27/23/59/567272359.db2.gz CACKEOBOACTLDI-MGPLVRAMSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000525870773 567272364 /nfs/dbraw/zinc/27/23/64/567272364.db2.gz CACKEOBOACTLDI-MGPLVRAMSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000525870772 567273087 /nfs/dbraw/zinc/27/30/87/567273087.db2.gz CACKEOBOACTLDI-HWPZZCPQSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000525870772 567273093 /nfs/dbraw/zinc/27/30/93/567273093.db2.gz CACKEOBOACTLDI-HWPZZCPQSA-N -1 3 389.253 3.226 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000525870772 567273101 /nfs/dbraw/zinc/27/31/01/567273101.db2.gz CACKEOBOACTLDI-HWPZZCPQSA-N -1 3 389.253 3.226 20 0 GGADHM O=C(Nc1ccccc1Br)C1CCN(Cc2ncccc2[O-])CC1 ZINC000685414790 567273895 /nfs/dbraw/zinc/27/38/95/567273895.db2.gz RLHOHFLBWXVFJE-UHFFFAOYSA-N -1 3 390.281 3.400 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cccc(NC(=O)CC(C)C)c2)s1 ZINC000433821407 567274022 /nfs/dbraw/zinc/27/40/22/567274022.db2.gz HBBDLAYQIWJXAT-UHFFFAOYSA-N -1 3 381.523 3.223 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000499803193 567274133 /nfs/dbraw/zinc/27/41/33/567274133.db2.gz SNJLQOLXOCHHPP-ZYHUDNBSSA-N -1 3 379.201 3.114 20 0 GGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2sc(C)nc2C)cc1OC ZINC000433809525 567274523 /nfs/dbraw/zinc/27/45/23/567274523.db2.gz ABDNEZYXYWFHDA-UHFFFAOYSA-N -1 3 384.523 3.033 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]C2(CF)CCC2)cc1Cl ZINC000567773644 567274920 /nfs/dbraw/zinc/27/49/20/567274920.db2.gz DDZUWAPFQLRMPF-UHFFFAOYSA-N -1 3 386.272 3.189 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)s1 ZINC000433826430 567275135 /nfs/dbraw/zinc/27/51/35/567275135.db2.gz OMXQWJUFJMQXCY-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)sc1Br ZINC000433825635 567275536 /nfs/dbraw/zinc/27/55/36/567275536.db2.gz ZYGSXMMDMPZNSR-NSHDSACASA-N -1 3 391.356 3.457 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000433824935 567275802 /nfs/dbraw/zinc/27/58/02/567275802.db2.gz WVPBZYBRGRFKQV-UHFFFAOYSA-N -1 3 387.914 3.111 20 0 GGADHM CCOc1cc(CCC[N-]S(=O)(=O)c2sc(C)nc2C)ccc1OC ZINC000433826768 567275816 /nfs/dbraw/zinc/27/58/16/567275816.db2.gz RWTCHYYIQIQSFW-UHFFFAOYSA-N -1 3 384.523 3.078 20 0 GGADHM Cc1cc(C(=O)NCCc2ccc(I)s2)ccc1[O-] ZINC000499845635 567276595 /nfs/dbraw/zinc/27/65/95/567276595.db2.gz HLIKLLFFDBNFBO-UHFFFAOYSA-N -1 3 387.242 3.339 20 0 GGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000548042596 567276563 /nfs/dbraw/zinc/27/65/63/567276563.db2.gz HOKHKGMRLSGTMK-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Br)s1 ZINC000433840036 567276704 /nfs/dbraw/zinc/27/67/04/567276704.db2.gz VZHHHXRUEYQNRX-CYBMUJFWSA-N -1 3 387.324 3.488 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)N1CCCC1 ZINC000548042342 567276848 /nfs/dbraw/zinc/27/68/48/567276848.db2.gz JKTRPZZEQGNIGD-SECBINFHSA-N -1 3 399.713 3.004 20 0 GGADHM COC(=O)c1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c(Br)cc1F ZINC000591340838 567276874 /nfs/dbraw/zinc/27/68/74/567276874.db2.gz ZNCNOGAPRFLGTN-UHFFFAOYSA-N -1 3 396.216 3.360 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCCN1C1CCCCC1 ZINC000525950786 567278461 /nfs/dbraw/zinc/27/84/61/567278461.db2.gz AJKTWAAZIFNGSJ-KRWDZBQOSA-N -1 3 384.929 3.083 20 0 GGADHM CC(C)CO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367648 567278652 /nfs/dbraw/zinc/27/86/52/567278652.db2.gz DGWSNMZSLXPLOG-SNVBAGLBSA-N -1 3 382.404 3.077 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2C)c(F)c1 ZINC000591389951 567279407 /nfs/dbraw/zinc/27/94/07/567279407.db2.gz YWUJUEZQFHGIHL-UHFFFAOYSA-N -1 3 384.860 3.403 20 0 GGADHM C[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000591386623 567280201 /nfs/dbraw/zinc/28/02/01/567280201.db2.gz OOLVZCYWOXEQSE-GFCCVEGCSA-N -1 3 393.322 3.131 20 0 GGADHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000591386623 567280214 /nfs/dbraw/zinc/28/02/14/567280214.db2.gz OOLVZCYWOXEQSE-GFCCVEGCSA-N -1 3 393.322 3.131 20 0 GGADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 ZINC000475832461 567280574 /nfs/dbraw/zinc/28/05/74/567280574.db2.gz MQPQPCVRMRKVGB-UHFFFAOYSA-N -1 3 380.853 3.141 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ncccc1C ZINC000591399433 567282122 /nfs/dbraw/zinc/28/21/22/567282122.db2.gz LUQBNMZDKBKOCJ-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000567842755 567283291 /nfs/dbraw/zinc/28/32/91/567283291.db2.gz AMQLGINMAJKHIP-NSHDSACASA-N -1 3 381.391 3.472 20 0 GGADHM COc1ccccc1-c1cc(=NC(=O)Cc2ccccc2Br)[nH][n-]1 ZINC000591449813 567283603 /nfs/dbraw/zinc/28/36/03/567283603.db2.gz XCHMAZKKSLQWOH-UHFFFAOYSA-N -1 3 386.249 3.451 20 0 GGADHM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617175270 567286668 /nfs/dbraw/zinc/28/66/68/567286668.db2.gz DLPDBMKCMHEPGL-HNNXBMFYSA-N -1 3 378.519 3.007 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCSc1ccc(F)cc1 ZINC000591583221 567286642 /nfs/dbraw/zinc/28/66/42/567286642.db2.gz VFNOHZITTOXJJF-UHFFFAOYSA-N -1 3 389.495 3.135 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)c1 ZINC000685602879 567287076 /nfs/dbraw/zinc/28/70/76/567287076.db2.gz FHUHEECNJNZQDG-MRXNPFEDSA-N -1 3 387.910 3.177 20 0 GGADHM Cc1cccc(C)c1[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617175271 567287054 /nfs/dbraw/zinc/28/70/54/567287054.db2.gz DLPDBMKCMHEPGL-OAHLLOKOSA-N -1 3 378.519 3.007 20 0 GGADHM CC(C)N1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000567905800 567287897 /nfs/dbraw/zinc/28/78/97/567287897.db2.gz RSJCKDJLKBQYLX-UHFFFAOYSA-N -1 3 392.297 3.259 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)ccc1[O-] ZINC000499977681 567289044 /nfs/dbraw/zinc/28/90/44/567289044.db2.gz ZQNKWLMROSBKEV-AWEZNQCLSA-N -1 3 375.266 3.472 20 0 GGADHM CCCCn1c(=O)[n-]nc1SCC(=O)Cc1cccc(Br)c1 ZINC000475940599 567288998 /nfs/dbraw/zinc/28/89/98/567288998.db2.gz PWBFGRNPTUDCGX-UHFFFAOYSA-N -1 3 384.299 3.450 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000500002721 567290059 /nfs/dbraw/zinc/29/00/59/567290059.db2.gz BLYSYYOIMGFJHK-RKDXNWHRSA-N -1 3 375.148 3.328 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000500002721 567290066 /nfs/dbraw/zinc/29/00/66/567290066.db2.gz BLYSYYOIMGFJHK-RKDXNWHRSA-N -1 3 375.148 3.328 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CSc2ccccc2)cc1OC ZINC000617215073 567290528 /nfs/dbraw/zinc/29/05/28/567290528.db2.gz QJGHCUKNYIYSHQ-UHFFFAOYSA-N -1 3 380.491 3.188 20 0 GGADHM Cc1cc(C(=O)N=c2[n-]n(C)cc2Br)cc(C(=O)OC(C)(C)C)c1 ZINC000567929663 567290661 /nfs/dbraw/zinc/29/06/61/567290661.db2.gz HHTOMUHXICDUJY-UHFFFAOYSA-N -1 3 394.269 3.121 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(c2ccccc2Br)CC1 ZINC000476035384 567292880 /nfs/dbraw/zinc/29/28/80/567292880.db2.gz RZVRQNHQDFLPIG-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(c2ccccc2Br)CC1 ZINC000476035384 567292888 /nfs/dbraw/zinc/29/28/88/567292888.db2.gz RZVRQNHQDFLPIG-UHFFFAOYSA-N -1 3 384.237 3.300 20 0 GGADHM Cc1sc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)nc1C(C)C ZINC000617245984 567293435 /nfs/dbraw/zinc/29/34/35/567293435.db2.gz WDDOOPKYRCZXTB-UHFFFAOYSA-N -1 3 393.943 3.207 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1ccsc1 ZINC000685745046 567294160 /nfs/dbraw/zinc/29/41/60/567294160.db2.gz JWFBVAXWBHILMF-UHFFFAOYSA-N -1 3 398.815 3.337 20 0 GGADHM Cn1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(-c2ccc(Cl)s2)n1 ZINC000476068799 567294500 /nfs/dbraw/zinc/29/45/00/567294500.db2.gz YIHMSLUSRYQOGH-UHFFFAOYSA-N -1 3 376.751 3.191 20 0 GGADHM Cn1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(-c2ccc(Cl)s2)n1 ZINC000476068799 567294509 /nfs/dbraw/zinc/29/45/09/567294509.db2.gz YIHMSLUSRYQOGH-UHFFFAOYSA-N -1 3 376.751 3.191 20 0 GGADHM CCOC(=O)Cn1cnc([N-]C(=O)c2sc3cccc(C)c3c2Cl)n1 ZINC000591806485 567298875 /nfs/dbraw/zinc/29/88/75/567298875.db2.gz FDYYDMYRTGWNRH-UHFFFAOYSA-N -1 3 378.841 3.270 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2nc(C)cs2)cc1Cl ZINC000591813721 567298988 /nfs/dbraw/zinc/29/89/88/567298988.db2.gz BVUBPNUSHCGODU-UHFFFAOYSA-N -1 3 381.306 3.288 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1c(F)cccc1OC(F)(F)F ZINC000568032570 567299678 /nfs/dbraw/zinc/29/96/78/567299678.db2.gz IBHRMJZPGBDFNQ-UHFFFAOYSA-N -1 3 385.285 3.481 20 0 GGADHM CCOc1cc(C(=O)[N-]c2c(C)c(Br)ccc2C(=O)OC)on1 ZINC000568045853 567299882 /nfs/dbraw/zinc/29/98/82/567299882.db2.gz ZYBNYCJNDYAKLW-UHFFFAOYSA-N -1 3 383.198 3.183 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)cc1Cl ZINC000591817002 567299928 /nfs/dbraw/zinc/29/99/28/567299928.db2.gz ONQGKRZZDDVOFJ-VXGBXAGGSA-N -1 3 395.352 3.401 20 0 GGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000476142720 567300171 /nfs/dbraw/zinc/30/01/71/567300171.db2.gz JNSKCAOXPDQXNW-BMIGLBTASA-N -1 3 382.309 3.347 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)cc1OC ZINC000500121138 567300288 /nfs/dbraw/zinc/30/02/88/567300288.db2.gz JSSDDQGYXYDDHR-UHFFFAOYSA-N -1 3 391.823 3.156 20 0 GGADHM O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Br)cc1[O-] ZINC000591831217 567300376 /nfs/dbraw/zinc/30/03/76/567300376.db2.gz BWXFMZGYOVOQPJ-UHFFFAOYSA-N -1 3 391.200 3.009 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000591816999 567300400 /nfs/dbraw/zinc/30/04/00/567300400.db2.gz ONQGKRZZDDVOFJ-NWDGAFQWSA-N -1 3 395.352 3.401 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000500109453 567300806 /nfs/dbraw/zinc/30/08/06/567300806.db2.gz MRBGPBXAUHVSBH-CYBMUJFWSA-N -1 3 393.322 3.131 20 0 GGADHM O=C(CSCC(=O)N1CCCCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476182828 567302033 /nfs/dbraw/zinc/30/20/33/567302033.db2.gz YJWMRJVVMLAAFZ-UHFFFAOYSA-N -1 3 376.400 3.095 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO[C@H]1C1CC1 ZINC000476187732 567303332 /nfs/dbraw/zinc/30/33/32/567303332.db2.gz GWOGKGJDUKZZBS-GJZGRUSLSA-N -1 3 392.290 3.072 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO[C@@H]1C1CC1 ZINC000476187730 567303369 /nfs/dbraw/zinc/30/33/69/567303369.db2.gz GWOGKGJDUKZZBS-CABCVRRESA-N -1 3 392.290 3.072 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cccc(Cl)c2F)nc2cccc(Cl)c21 ZINC000476195031 567303452 /nfs/dbraw/zinc/30/34/52/567303452.db2.gz ICPQKXKQGVCUGP-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOc2c(F)cccc2C1 ZINC000434294550 567303752 /nfs/dbraw/zinc/30/37/52/567303752.db2.gz USSPFWPLAPQTGZ-UHFFFAOYSA-N -1 3 395.228 3.398 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568104668 567303990 /nfs/dbraw/zinc/30/39/90/567303990.db2.gz BLPQPZPCYMWHEB-UHFFFAOYSA-N -1 3 392.253 3.103 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1 ZINC000476202262 567304844 /nfs/dbraw/zinc/30/48/44/567304844.db2.gz XHLJKNZNPLXQSP-UHFFFAOYSA-N -1 3 380.520 3.129 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)nc2cccc(Cl)c21 ZINC000476207658 567304900 /nfs/dbraw/zinc/30/49/00/567304900.db2.gz NMCTZPSYEHAAMJ-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM O=C(CCC(=O)N1CCc2nc[n-]c(=O)c2C1)c1cc(Cl)sc1Cl ZINC000527008534 567305338 /nfs/dbraw/zinc/30/53/38/567305338.db2.gz WYBWRGXZZMGJNN-UHFFFAOYSA-N -1 3 386.260 3.098 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCSCC1 ZINC000548293966 567305430 /nfs/dbraw/zinc/30/54/30/567305430.db2.gz BTOBOJGDTJJQMF-UHFFFAOYSA-N -1 3 398.333 3.019 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2cc(Br)c(C)n(C)c2=O)c1[O-] ZINC000434367795 567306840 /nfs/dbraw/zinc/30/68/40/567306840.db2.gz CYLDMMKXKJIERJ-UHFFFAOYSA-N -1 3 385.645 3.376 20 0 GGADHM COC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCCCC1 ZINC000476229785 567307184 /nfs/dbraw/zinc/30/71/84/567307184.db2.gz YICQLFWCWUIAJM-UHFFFAOYSA-N -1 3 382.345 3.447 20 0 GGADHM N=c1nc(N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2[nH][n-]cc1-2 ZINC000685909734 567308548 /nfs/dbraw/zinc/30/85/48/567308548.db2.gz RBWCKEGVDUBQDL-JTQLQIEISA-N -1 3 379.251 3.072 20 0 GGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1F ZINC000568150226 567308611 /nfs/dbraw/zinc/30/86/11/567308611.db2.gz ZLRBQBIZPIEPDL-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM N=c1nc(N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2[nH][n-]cc1-2 ZINC000685909735 567309207 /nfs/dbraw/zinc/30/92/07/567309207.db2.gz RBWCKEGVDUBQDL-SNVBAGLBSA-N -1 3 379.251 3.072 20 0 GGADHM Cc1ccc(Cl)cc1S(=O)(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000685915941 567310588 /nfs/dbraw/zinc/31/05/88/567310588.db2.gz JFABGNGYLFFDGX-UHFFFAOYSA-N -1 3 397.287 3.320 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NS(=O)(=O)Cc1ccccc1Cl ZINC000685916001 567311138 /nfs/dbraw/zinc/31/11/38/567311138.db2.gz LBUKGTARTWISQW-UHFFFAOYSA-N -1 3 397.287 3.153 20 0 GGADHM CSCc1cccc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC000592049128 567311599 /nfs/dbraw/zinc/31/15/99/567311599.db2.gz GMAWIMQISPPJGO-UHFFFAOYSA-N -1 3 376.425 3.442 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ncccc1Br ZINC000476300786 567311883 /nfs/dbraw/zinc/31/18/83/567311883.db2.gz BPYSAFDQHOLXFI-UHFFFAOYSA-N -1 3 379.164 3.187 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(C)C ZINC000476312219 567313432 /nfs/dbraw/zinc/31/34/32/567313432.db2.gz YMZNRNHPOKBBKW-ZDUSSCGKSA-N -1 3 382.295 3.318 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(C)C ZINC000476312217 567313754 /nfs/dbraw/zinc/31/37/54/567313754.db2.gz YMZNRNHPOKBBKW-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM CCSCc1ccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1 ZINC000455866925 567314145 /nfs/dbraw/zinc/31/41/45/567314145.db2.gz UJXQNUPJILSLTM-UHFFFAOYSA-N -1 3 399.563 3.231 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000592099274 567314300 /nfs/dbraw/zinc/31/43/00/567314300.db2.gz DQSUSKNZVRCFAL-ZDUSSCGKSA-N -1 3 381.416 3.245 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc2nn[n-]c21 ZINC000527112438 567315471 /nfs/dbraw/zinc/31/54/71/567315471.db2.gz ZOKKUVUXNWHJSV-JTQLQIEISA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc2[n-]nnc21 ZINC000527112438 567315477 /nfs/dbraw/zinc/31/54/77/567315477.db2.gz ZOKKUVUXNWHJSV-JTQLQIEISA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc2n[n-]nc21 ZINC000527112438 567315483 /nfs/dbraw/zinc/31/54/83/567315483.db2.gz ZOKKUVUXNWHJSV-JTQLQIEISA-N -1 3 376.247 3.273 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000476332185 567316234 /nfs/dbraw/zinc/31/62/34/567316234.db2.gz CUOJRJBVPNMIEW-GFCCVEGCSA-N -1 3 389.851 3.056 20 0 GGADHM COC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC000548470405 567316512 /nfs/dbraw/zinc/31/65/12/567316512.db2.gz UCYGHQSJMRTNJV-UHFFFAOYSA-N -1 3 393.281 3.370 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1cc(Br)ccc1F ZINC000500379530 567317012 /nfs/dbraw/zinc/31/70/12/567317012.db2.gz MSRAXWJKRVVRAO-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1C ZINC000548474454 567318241 /nfs/dbraw/zinc/31/82/41/567318241.db2.gz VRAQSKCETZKKKO-OAHLLOKOSA-N -1 3 381.416 3.030 20 0 GGADHM Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)O2 ZINC000476373648 567318933 /nfs/dbraw/zinc/31/89/33/567318933.db2.gz BZJJXSBTEJMFBE-QGZVFWFLSA-N -1 3 376.250 3.473 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cs1 ZINC000500421373 567319065 /nfs/dbraw/zinc/31/90/65/567319065.db2.gz MXUDBTRZODGRIF-UHFFFAOYSA-N -1 3 379.532 3.350 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@@H]12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500420573 567319326 /nfs/dbraw/zinc/31/93/26/567319326.db2.gz FKTRKMGQEFDGPC-CABCVRRESA-N -1 3 397.953 3.369 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000568338941 567319457 /nfs/dbraw/zinc/31/94/57/567319457.db2.gz LGOVOROXCIEPCH-UHFFFAOYSA-N -1 3 396.774 3.407 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC[C@H](C)C1 ZINC000500418316 567319399 /nfs/dbraw/zinc/31/93/99/567319399.db2.gz ZDIJMPFGOHBUNB-GJZGRUSLSA-N -1 3 379.551 3.209 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC(C)CC1 ZINC000500402173 567319566 /nfs/dbraw/zinc/31/95/66/567319566.db2.gz YORGJBYEAYVHCU-OAHLLOKOSA-N -1 3 379.551 3.209 20 0 GGADHM Cc1nc2ccc(Br)cn2c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000476390337 567320324 /nfs/dbraw/zinc/32/03/24/567320324.db2.gz QQHFCURMEABCRL-UHFFFAOYSA-N -1 3 378.201 3.180 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCc2ccccc2C1 ZINC000500428620 567320789 /nfs/dbraw/zinc/32/07/89/567320789.db2.gz LNFPBLUBVHKVOR-CYBMUJFWSA-N -1 3 382.888 3.204 20 0 GGADHM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500426306 567320902 /nfs/dbraw/zinc/32/09/02/567320902.db2.gz OBKVPNJFWATKKT-NSHDSACASA-N -1 3 382.898 3.027 20 0 GGADHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000500433076 567321511 /nfs/dbraw/zinc/32/15/11/567321511.db2.gz NCVFLEZXFQLGES-UHFFFAOYSA-N -1 3 379.551 3.351 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccsc1 ZINC000500444513 567322290 /nfs/dbraw/zinc/32/22/90/567322290.db2.gz BFPMEWICSLUBNE-OAHLLOKOSA-N -1 3 393.559 3.453 20 0 GGADHM COc1ncccc1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500446047 567322388 /nfs/dbraw/zinc/32/23/88/567322388.db2.gz KBCUIZJIKWBGDK-UHFFFAOYSA-N -1 3 395.893 3.346 20 0 GGADHM CCOC(=O)CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500449367 567322833 /nfs/dbraw/zinc/32/28/33/567322833.db2.gz ZGERTEVWYMEMPI-UHFFFAOYSA-N -1 3 388.898 3.085 20 0 GGADHM CCOc1cc(CN2CCC3(C[C@@H]3C(=O)OC)CC2)cc(Br)c1[O-] ZINC000568364735 567323329 /nfs/dbraw/zinc/32/33/29/567323329.db2.gz NVRPYHJGDLFBBP-CYBMUJFWSA-N -1 3 398.297 3.329 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500446761 567323345 /nfs/dbraw/zinc/32/33/45/567323345.db2.gz NUHMDFURQRSIQG-UHFFFAOYSA-N -1 3 379.894 3.380 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC000476424894 567323461 /nfs/dbraw/zinc/32/34/61/567323461.db2.gz SWUYCWITKIVUAY-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000476421938 567323504 /nfs/dbraw/zinc/32/35/04/567323504.db2.gz IRIMFTHKBJJCIO-INIZCTEOSA-N -1 3 393.958 3.319 20 0 GGADHM COc1cc(Br)c(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1OC ZINC000660744360 567323560 /nfs/dbraw/zinc/32/35/60/567323560.db2.gz AYULAAIFFIDYGC-UHFFFAOYSA-N -1 3 396.285 3.295 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(=O)Nc2ccc(Br)cc2)n1 ZINC000660748014 567323949 /nfs/dbraw/zinc/32/39/49/567323949.db2.gz XIEDHZHRTYSBPL-UHFFFAOYSA-N -1 3 393.285 3.107 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000527274632 567326026 /nfs/dbraw/zinc/32/60/26/567326026.db2.gz KDKZBSMYKHSAHX-UHFFFAOYSA-N -1 3 398.937 3.086 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000434756307 567326397 /nfs/dbraw/zinc/32/63/97/567326397.db2.gz CBHCBHKALPPRRK-UHFFFAOYSA-N -1 3 384.178 3.189 20 0 GGADHM CC[C@@H](C)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000617634906 567326584 /nfs/dbraw/zinc/32/65/84/567326584.db2.gz DDFAWAPXZXHFKN-GFCCVEGCSA-N -1 3 386.564 3.454 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c1Cl ZINC000434757653 567326506 /nfs/dbraw/zinc/32/65/06/567326506.db2.gz HKEIDSZUJYDLFX-UHFFFAOYSA-N -1 3 398.205 3.497 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000527292854 567328163 /nfs/dbraw/zinc/32/81/63/567328163.db2.gz SRBNQNNUPUTDQE-GFCCVEGCSA-N -1 3 387.929 3.468 20 0 GGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476505793 567330147 /nfs/dbraw/zinc/33/01/47/567330147.db2.gz FNIYMJNKEJZPHU-QWHCGFSZSA-N -1 3 394.306 3.460 20 0 GGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(CC)CCSC ZINC000592322647 567330799 /nfs/dbraw/zinc/33/07/99/567330799.db2.gz MGZQSOFSOAYRDQ-UHFFFAOYSA-N -1 3 386.539 3.198 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(I)ccc1C)C(C)C ZINC000592352855 567331338 /nfs/dbraw/zinc/33/13/38/567331338.db2.gz GAEOJNRNBTUEEO-ZDUSSCGKSA-N -1 3 397.278 3.012 20 0 GGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000476547177 567333088 /nfs/dbraw/zinc/33/30/88/567333088.db2.gz ZQPUTIPHOKKASO-ZDUSSCGKSA-N -1 3 381.947 3.175 20 0 GGADHM CCOc1ccc(Cl)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000456045920 567334334 /nfs/dbraw/zinc/33/43/34/567334334.db2.gz LXTLYHZMJKSANA-JTQLQIEISA-N -1 3 388.898 3.106 20 0 GGADHM C[C@@H](CN1CCCCCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000476563514 567335137 /nfs/dbraw/zinc/33/51/37/567335137.db2.gz DXNBDWJXAPPVLZ-NSHDSACASA-N -1 3 381.361 3.053 20 0 GGADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000434954420 567335964 /nfs/dbraw/zinc/33/59/64/567335964.db2.gz IDKFSCRTNPPBNY-SNVBAGLBSA-N -1 3 376.247 3.481 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500653623 567336851 /nfs/dbraw/zinc/33/68/51/567336851.db2.gz ZTRNVGKEVWOTHL-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM O=C(NCCc1ccc2c(c1)OCO2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000548631188 567338733 /nfs/dbraw/zinc/33/87/33/567338733.db2.gz UYJUCHSMFLUGPG-UHFFFAOYSA-N -1 3 375.837 3.493 20 0 GGADHM CC(C)CC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000617814500 567338993 /nfs/dbraw/zinc/33/89/93/567338993.db2.gz DORGUGZPOXXDEP-NSHDSACASA-N -1 3 381.325 3.213 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000568571460 567339136 /nfs/dbraw/zinc/33/91/36/567339136.db2.gz XIHQEEYJHAUBAE-LLVKDONJSA-N -1 3 393.818 3.017 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)c3c(F)cccc3F)cnc2c1Cl ZINC000500698346 567339963 /nfs/dbraw/zinc/33/99/63/567339963.db2.gz YSWXVMYECFZLAQ-MRVPVSSYSA-N -1 3 386.811 3.009 20 0 GGADHM CSCC[C@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000592461077 567340359 /nfs/dbraw/zinc/34/03/59/567340359.db2.gz OZWYSKKDPZAOML-NSHDSACASA-N -1 3 384.242 3.346 20 0 GGADHM Cc1nc(NC(=O)c2cc([O-])ccc2C(F)(F)F)sc1SCC(N)=O ZINC000527515941 567340591 /nfs/dbraw/zinc/34/05/91/567340591.db2.gz VFXINFPSVKURSO-UHFFFAOYSA-N -1 3 391.396 3.006 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F ZINC000476638809 567341578 /nfs/dbraw/zinc/34/15/78/567341578.db2.gz QPXQAMPIKFKDIR-SNVBAGLBSA-N -1 3 389.823 3.232 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCCCc2ccc(F)c(F)c2)c1 ZINC000476639527 567341643 /nfs/dbraw/zinc/34/16/43/567341643.db2.gz YUHSSZZIJVVUJU-UHFFFAOYSA-N -1 3 389.445 3.114 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)s1 ZINC000476631205 567341767 /nfs/dbraw/zinc/34/17/67/567341767.db2.gz JZXIIPXEEGVRTF-UHFFFAOYSA-N -1 3 380.535 3.029 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc3cc(Br)ccc3o2)[n-]1 ZINC000617870122 567342093 /nfs/dbraw/zinc/34/20/93/567342093.db2.gz DXIKVUOOSKPLEX-UHFFFAOYSA-N -1 3 378.182 3.347 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CSc2ccc(Br)cc2C)[n-]1 ZINC000617873576 567342520 /nfs/dbraw/zinc/34/25/20/567342520.db2.gz CWMKZPNOPNHENE-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CSc2ccc(Br)cc2C)c[n-]1 ZINC000617873576 567342524 /nfs/dbraw/zinc/34/25/24/567342524.db2.gz CWMKZPNOPNHENE-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCc2cc(F)ccc2Br)[n-]1 ZINC000617877631 567342812 /nfs/dbraw/zinc/34/28/12/567342812.db2.gz UKZJWEQXOLJWDQ-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCc2cc(F)ccc2Br)c[n-]1 ZINC000617877631 567342815 /nfs/dbraw/zinc/34/28/15/567342815.db2.gz UKZJWEQXOLJWDQ-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CN(C)Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1Cl ZINC000500775476 567343204 /nfs/dbraw/zinc/34/32/04/567343204.db2.gz ATHGIQGVAQZGTR-UHFFFAOYSA-N -1 3 381.885 3.025 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1OC ZINC000500780196 567343381 /nfs/dbraw/zinc/34/33/81/567343381.db2.gz OKRUCWQEHLHYTP-UHFFFAOYSA-N -1 3 384.885 3.220 20 0 GGADHM CC1(C)CC(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000548701374 567343845 /nfs/dbraw/zinc/34/38/45/567343845.db2.gz NCHYNHIOSWBRCD-ZDUSSCGKSA-N -1 3 387.929 3.470 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)c2cc(Br)c(C)[nH]c2=O)c1-c1ccccc1 ZINC000548730983 567344602 /nfs/dbraw/zinc/34/46/02/567344602.db2.gz ULYBILRCYMIHKX-UHFFFAOYSA-N -1 3 387.237 3.231 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)N1CCCC[C@@H]1C ZINC000435207187 567347716 /nfs/dbraw/zinc/34/77/16/567347716.db2.gz KRUHIGAQGQJIGR-NWDGAFQWSA-N -1 3 393.322 3.129 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000548763118 567347920 /nfs/dbraw/zinc/34/79/20/567347920.db2.gz CAAHCHXZEDQEPO-INIZCTEOSA-N -1 3 386.253 3.187 20 0 GGADHM CN(Cc1ccc(F)cc1Br)C(=O)N=c1cc2ccccn2[n-]1 ZINC000548772484 567349154 /nfs/dbraw/zinc/34/91/54/567349154.db2.gz BCELRNLGPRKNRX-UHFFFAOYSA-N -1 3 377.217 3.322 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cc(F)ccc1Br ZINC000435220617 567349852 /nfs/dbraw/zinc/34/98/52/567349852.db2.gz QJVNRVGGPZYHJC-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM Cc1ncc([N-]C(=O)c2sccc2S(=O)(=O)NCc2cccs2)s1 ZINC000500873128 567349992 /nfs/dbraw/zinc/34/99/92/567349992.db2.gz OYJDHSHTOMQCMA-UHFFFAOYSA-N -1 3 399.544 3.305 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435229439 567350879 /nfs/dbraw/zinc/35/08/79/567350879.db2.gz HSHIPYNUWMRGMF-CYBMUJFWSA-N -1 3 393.322 3.131 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1cc(F)ccc1Br ZINC000435229848 567351097 /nfs/dbraw/zinc/35/10/97/567351097.db2.gz LZSSPPRNGDSCJE-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)c(F)cc2Br)c(=O)[n-]1 ZINC000435255515 567351857 /nfs/dbraw/zinc/35/18/57/567351857.db2.gz HLRZAZRZICPLNE-UHFFFAOYSA-N -1 3 386.196 3.411 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cc(=O)[n-]c(N(C)C)n3)sc2C)s1 ZINC000568728568 567352088 /nfs/dbraw/zinc/35/20/88/567352088.db2.gz CMFBAUHNSQWFLW-UHFFFAOYSA-N -1 3 375.479 3.302 20 0 GGADHM Cc1cc(C)n2nc(C(=O)[N-]c3cc(F)c(F)cc3Br)nc2n1 ZINC000435255326 567352510 /nfs/dbraw/zinc/35/25/10/567352510.db2.gz ZAPWCLZXVOWCIY-UHFFFAOYSA-N -1 3 382.168 3.034 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]Cc3nc(C(C)C)c(C)s3)cnc2c1Cl ZINC000500913482 567353273 /nfs/dbraw/zinc/35/32/73/567353273.db2.gz KJQWHHHIEAFOGE-UHFFFAOYSA-N -1 3 399.929 3.058 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)c3ccc(F)c(F)c3)cnc2c1Cl ZINC000500913954 567353435 /nfs/dbraw/zinc/35/34/35/567353435.db2.gz NSYPMFKOMYBKGE-QMMMGPOBSA-N -1 3 386.811 3.009 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(Cc2ccccc2)CC1 ZINC000527635846 567353554 /nfs/dbraw/zinc/35/35/54/567353554.db2.gz OGTVCRZNKFOVRW-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C[C@@H](C)c3cccc(C)c3)cnc2c1Cl ZINC000500948910 567354428 /nfs/dbraw/zinc/35/44/28/567354428.db2.gz XMIXVQPHXSXILM-GFCCVEGCSA-N -1 3 378.885 3.082 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCC(F)(F)C3)cc2N1 ZINC000548841364 567355642 /nfs/dbraw/zinc/35/56/42/567355642.db2.gz LIVSXLJULLUCBD-SNVBAGLBSA-N -1 3 392.855 3.329 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)[C@H](C)c3ccccc3)cnc2c1Cl ZINC000500955822 567355932 /nfs/dbraw/zinc/35/59/32/567355932.db2.gz SXGIAEHQXGILCA-NWDGAFQWSA-N -1 3 378.885 3.162 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CO)CC3CCCC3)s2)cs1 ZINC000548887052 567358355 /nfs/dbraw/zinc/35/83/55/567358355.db2.gz UCQLYOKILWPCFN-ZDUSSCGKSA-N -1 3 386.564 3.400 20 0 GGADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000456285779 567359407 /nfs/dbraw/zinc/35/94/07/567359407.db2.gz AXGSNQPYARSSIO-FZMZJTMJSA-N -1 3 378.416 3.099 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H]2CCc3c2ccc(F)c3Br)c(=O)[n-]1 ZINC000456281716 567359506 /nfs/dbraw/zinc/35/95/06/567359506.db2.gz VSMITCVWQFWSKE-AWEZNQCLSA-N -1 3 394.244 3.047 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c(=O)[n-]1 ZINC000456281723 567359529 /nfs/dbraw/zinc/35/95/29/567359529.db2.gz VSMITCVWQFWSKE-CQSZACIVSA-N -1 3 394.244 3.047 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(SC)cc1 ZINC000476955615 567359935 /nfs/dbraw/zinc/35/99/35/567359935.db2.gz UTNBHXREYAETAH-OAHLLOKOSA-N -1 3 383.466 3.130 20 0 GGADHM COc1cc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)ccc1[O-] ZINC000618180516 567359914 /nfs/dbraw/zinc/35/99/14/567359914.db2.gz CHLMOICMKIWUEX-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2nc(C)oc2C)c(Cl)c1Cl ZINC000501037286 567360061 /nfs/dbraw/zinc/36/00/61/567360061.db2.gz SGZIKAPSQPLRHF-UHFFFAOYSA-N -1 3 379.265 3.128 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000618181298 567360991 /nfs/dbraw/zinc/36/09/91/567360991.db2.gz CYWFKFSLRXEOBO-UHFFFAOYSA-N -1 3 393.256 3.185 20 0 GGADHM Cc1ccc(C)c(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000568857491 567361821 /nfs/dbraw/zinc/36/18/21/567361821.db2.gz FGVLCXNMAKVKGJ-OAHLLOKOSA-N -1 3 380.282 3.301 20 0 GGADHM COC(=O)CCCCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000548944160 567361957 /nfs/dbraw/zinc/36/19/57/567361957.db2.gz IEBAWYCRWCSLAJ-UHFFFAOYSA-N -1 3 398.232 3.072 20 0 GGADHM Cc1ccc(C)c(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000568857490 567361965 /nfs/dbraw/zinc/36/19/65/567361965.db2.gz FGVLCXNMAKVKGJ-HNNXBMFYSA-N -1 3 380.282 3.301 20 0 GGADHM COc1ccc(C)cc1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292080 567362463 /nfs/dbraw/zinc/36/24/63/567362463.db2.gz IAHSNUZVPIJWOO-UHFFFAOYSA-N -1 3 376.766 3.159 20 0 GGADHM Cc1cc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc(C)c1O ZINC000640293252 567362485 /nfs/dbraw/zinc/36/24/85/567362485.db2.gz VMQBEPMAXUGGDC-UHFFFAOYSA-N -1 3 376.766 3.165 20 0 GGADHM Cc1csc(CCCCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000640293010 567362646 /nfs/dbraw/zinc/36/26/46/567362646.db2.gz QWSPLXSOXBKNKL-UHFFFAOYSA-N -1 3 395.838 3.430 20 0 GGADHM CCCO[C@H]1CCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640291942 567362851 /nfs/dbraw/zinc/36/28/51/567362851.db2.gz GYTVRMNAVYLBQW-NSHDSACASA-N -1 3 382.814 3.334 20 0 GGADHM CO[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000640292926 567362916 /nfs/dbraw/zinc/36/29/16/567362916.db2.gz QGUNRSWXYFSANS-LBPRGKRZSA-N -1 3 376.766 3.030 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCCC[C@H]1c1ncc[nH]1 ZINC000640294735 567363125 /nfs/dbraw/zinc/36/31/25/567363125.db2.gz IGHDNKIHLSNQFX-JTQLQIEISA-N -1 3 376.770 3.003 20 0 GGADHM COc1ccc([C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640293036 567363442 /nfs/dbraw/zinc/36/34/42/567363442.db2.gz SERFJNNAXCAMFI-VIFPVBQESA-N -1 3 376.766 3.412 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCCN1C1CC1)c1c(Cl)cc(F)cc1Cl ZINC000435429901 567363461 /nfs/dbraw/zinc/36/34/61/567363461.db2.gz WNIYXKKMKRLIFB-GFCCVEGCSA-N -1 3 381.300 3.428 20 0 GGADHM Cc1cccc(OCCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640293177 567363492 /nfs/dbraw/zinc/36/34/92/567363492.db2.gz UAYZBKCSMDAMQE-UHFFFAOYSA-N -1 3 376.766 3.030 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640293035 567363541 /nfs/dbraw/zinc/36/35/41/567363541.db2.gz SERFJNNAXCAMFI-SECBINFHSA-N -1 3 376.766 3.412 20 0 GGADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000435431451 567363916 /nfs/dbraw/zinc/36/39/16/567363916.db2.gz IPBNDZLVHWONAI-JKSUJKDBSA-N -1 3 397.294 3.077 20 0 GGADHM Cc1cnc(C(C)(C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000640295246 567363903 /nfs/dbraw/zinc/36/39/03/567363903.db2.gz SEFLPHSGKKJPTN-UHFFFAOYSA-N -1 3 381.811 3.342 20 0 GGADHM Cc1csc([C@@H](C)CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000640295694 567364105 /nfs/dbraw/zinc/36/41/05/567364105.db2.gz AXYCJTORZWRMEA-ZETCQYMHSA-N -1 3 381.811 3.211 20 0 GGADHM C[C@@H](CCc1cccn1C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640294880 567364118 /nfs/dbraw/zinc/36/41/18/567364118.db2.gz MRFRSZRYGILIKC-JTQLQIEISA-N -1 3 377.798 3.002 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000435433894 567364306 /nfs/dbraw/zinc/36/43/06/567364306.db2.gz VBPHFEMWYMEZNK-GJZGRUSLSA-N -1 3 383.828 3.100 20 0 GGADHM C[C@@H](CN(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nccs1 ZINC000640295742 567364640 /nfs/dbraw/zinc/36/46/40/567364640.db2.gz CGYVBOKIZUXQHK-QMMMGPOBSA-N -1 3 381.811 3.245 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCc1nc(C2CC2)cs1 ZINC000640294977 567364917 /nfs/dbraw/zinc/36/49/17/567364917.db2.gz NLBPWUDXKOKLMD-UHFFFAOYSA-N -1 3 379.795 3.176 20 0 GGADHM CN(Cc1c(F)cccc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296373 567364937 /nfs/dbraw/zinc/36/49/37/567364937.db2.gz AZJZWUJXGKJWSL-UHFFFAOYSA-N -1 3 382.720 3.463 20 0 GGADHM CC(C)(C)OC1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640294795 567365140 /nfs/dbraw/zinc/36/51/40/567365140.db2.gz KABGOUILOKHNIR-UHFFFAOYSA-N -1 3 382.814 3.332 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCN2CCCCC2=O)c1Cl ZINC000592820619 567365427 /nfs/dbraw/zinc/36/54/27/567365427.db2.gz AZHQTZIJPQAWMG-UHFFFAOYSA-N -1 3 393.336 3.291 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)s1 ZINC000592820113 567365433 /nfs/dbraw/zinc/36/54/33/567365433.db2.gz IVPIHLKNAIJPQI-BONVTDFDSA-N -1 3 382.482 3.050 20 0 GGADHM COCc1csc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640302790 567365807 /nfs/dbraw/zinc/36/58/07/567365807.db2.gz PAEMITYCCIWICD-UHFFFAOYSA-N -1 3 382.795 3.050 20 0 GGADHM COCCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1CC[C@H](C)C1 ZINC000640301334 567365868 /nfs/dbraw/zinc/36/58/68/567365868.db2.gz GXHJTCCGVXOBLE-QWRGUYRKSA-N -1 3 382.814 3.190 20 0 GGADHM CC(C)Oc1ccc([C@H](C)NC(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000640307620 567365931 /nfs/dbraw/zinc/36/59/31/567365931.db2.gz FKJXLVALCBHCLM-NSHDSACASA-N -1 3 381.274 3.274 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000568926193 567365900 /nfs/dbraw/zinc/36/59/00/567365900.db2.gz RKJQYPXLYFTRDT-LLVKDONJSA-N -1 3 382.869 3.347 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C)cc32)s1 ZINC000592822625 567366173 /nfs/dbraw/zinc/36/61/73/567366173.db2.gz YTJAOUUTBHIPJW-MLGOLLRUSA-N -1 3 378.519 3.219 20 0 GGADHM CCOc1ccc([C@@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000640308652 567366112 /nfs/dbraw/zinc/36/61/12/567366112.db2.gz QSTVZHCXVKHPQZ-HNNXBMFYSA-N -1 3 393.285 3.372 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCCc1ccccc1F ZINC000640303407 567366375 /nfs/dbraw/zinc/36/63/75/567366375.db2.gz ZQXFAGLBRWHFTN-UHFFFAOYSA-N -1 3 378.757 3.414 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1OC ZINC000618258192 567366557 /nfs/dbraw/zinc/36/65/57/567366557.db2.gz OLPZFSKNBNKTSJ-UHFFFAOYSA-N -1 3 379.463 3.252 20 0 GGADHM C[C@H]1COC2(CCCC2)CN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303165 567366547 /nfs/dbraw/zinc/36/65/47/567366547.db2.gz PSAPWNXRLXQSQX-JTQLQIEISA-N -1 3 380.798 3.086 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(F)cc1Cl ZINC000592823852 567366847 /nfs/dbraw/zinc/36/68/47/567366847.db2.gz HFHPHAKEXOLGET-LBPRGKRZSA-N -1 3 390.814 3.315 20 0 GGADHM COC1(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCC(C)CC1 ZINC000640302495 567366931 /nfs/dbraw/zinc/36/69/31/567366931.db2.gz QVPCWNBYAQMKFZ-UHFFFAOYSA-N -1 3 382.814 3.238 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(F)cc1Cl ZINC000592823851 567367053 /nfs/dbraw/zinc/36/70/53/567367053.db2.gz HFHPHAKEXOLGET-GFCCVEGCSA-N -1 3 390.814 3.315 20 0 GGADHM CC(C)Oc1cccc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640307669 567367060 /nfs/dbraw/zinc/36/70/60/567367060.db2.gz GOJQSGDTZPNZEN-LLVKDONJSA-N -1 3 381.274 3.274 20 0 GGADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309660 567367477 /nfs/dbraw/zinc/36/74/77/567367477.db2.gz KPMLNGTVFIPLOQ-HZMBPMFUSA-N -1 3 381.249 3.359 20 0 GGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309663 567367919 /nfs/dbraw/zinc/36/79/19/567367919.db2.gz KPMLNGTVFIPLOQ-QMTHXVAHSA-N -1 3 381.249 3.359 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000501137375 567368011 /nfs/dbraw/zinc/36/80/11/567368011.db2.gz FUSKGFAHRIDPNZ-GFCCVEGCSA-N -1 3 378.252 3.014 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N[C@H]2CCSc3ccc(F)cc32)[n-]1 ZINC000640309106 567368143 /nfs/dbraw/zinc/36/81/43/567368143.db2.gz XCACLUDDGLJNHK-NSHDSACASA-N -1 3 385.262 3.102 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N[C@@H]2CCSc3ccc(F)cc32)[n-]1 ZINC000640309101 567368401 /nfs/dbraw/zinc/36/84/01/567368401.db2.gz XCACLUDDGLJNHK-LLVKDONJSA-N -1 3 385.262 3.102 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CC[C@H](CSc3ccccc3)C2)[n-]1 ZINC000640310738 567368257 /nfs/dbraw/zinc/36/82/57/567368257.db2.gz SOFMOEDYYTYMFU-LBPRGKRZSA-N -1 3 395.326 3.251 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CC[C@@H](CSc3ccccc3)C2)[n-]1 ZINC000640310717 567368339 /nfs/dbraw/zinc/36/83/39/567368339.db2.gz SOFMOEDYYTYMFU-GFCCVEGCSA-N -1 3 395.326 3.251 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCN(C(C)C)C2)cc1Cl ZINC000435439814 567368377 /nfs/dbraw/zinc/36/83/77/567368377.db2.gz XCZMDGHDLSMPRH-NSHDSACASA-N -1 3 381.325 3.153 20 0 GGADHM COc1cccc([C@@H](CNC(=O)c2cc([O-])cc(Br)c2)N(C)C)c1 ZINC000527719991 567368363 /nfs/dbraw/zinc/36/83/63/567368363.db2.gz MLNPVXYMUKYTOA-QGZVFWFLSA-N -1 3 393.281 3.196 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)[n-]1 ZINC000640310812 567368661 /nfs/dbraw/zinc/36/86/61/567368661.db2.gz DBMCFYWWPNJRPS-IUCAKERBSA-N -1 3 383.212 3.095 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640309894 567368741 /nfs/dbraw/zinc/36/87/41/567368741.db2.gz LLNPOUBGNHGVJK-SNVBAGLBSA-N -1 3 385.693 3.353 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)[n-]1 ZINC000640314285 567369707 /nfs/dbraw/zinc/36/97/07/567369707.db2.gz DXRFQSDLZCPJGZ-SQWLQELKSA-N -1 3 389.297 3.405 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)s1 ZINC000435444356 567370231 /nfs/dbraw/zinc/37/02/31/567370231.db2.gz SGCUWKDKWQRJSZ-NWDGAFQWSA-N -1 3 387.324 3.302 20 0 GGADHM CCN1CCc2nc(NC(=O)c3cc([O-])cc(Br)c3)sc2C1 ZINC000527724675 567370337 /nfs/dbraw/zinc/37/03/37/567370337.db2.gz QAKRVJPRVGIRAT-UHFFFAOYSA-N -1 3 382.283 3.242 20 0 GGADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640324084 567370908 /nfs/dbraw/zinc/37/09/08/567370908.db2.gz ASOWFDKKVFDXJV-CQSZACIVSA-N -1 3 377.286 3.152 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@H](Cc3ccccc3)C2)[n-]1 ZINC000640324214 567371630 /nfs/dbraw/zinc/37/16/30/567371630.db2.gz CHZAXPOIBYFNAL-CQSZACIVSA-N -1 3 377.286 3.091 20 0 GGADHM CCSc1ccc(CC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000501196776 567372073 /nfs/dbraw/zinc/37/20/73/567372073.db2.gz JTJAYXJCEBUPML-UHFFFAOYSA-N -1 3 382.482 3.490 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(OC(F)F)nc1 ZINC000549102218 567373356 /nfs/dbraw/zinc/37/33/56/567373356.db2.gz FMZZVLQGAVDSNS-UHFFFAOYSA-N -1 3 388.168 3.473 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)s1 ZINC000569035291 567373345 /nfs/dbraw/zinc/37/33/45/567373345.db2.gz UXFGOQJJEAKFRJ-MRVPVSSYSA-N -1 3 383.426 3.026 20 0 GGADHM CC(C)(C)OCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000618336255 567373860 /nfs/dbraw/zinc/37/38/60/567373860.db2.gz ANLVMUBXZJUZPT-UHFFFAOYSA-N -1 3 381.270 3.226 20 0 GGADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618342012 567375027 /nfs/dbraw/zinc/37/50/27/567375027.db2.gz RVURQURGIZTYLC-ZDUSSCGKSA-N -1 3 382.247 3.172 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1cccc2ccsc21 ZINC000501252302 567375092 /nfs/dbraw/zinc/37/50/92/567375092.db2.gz QUZIETOLWZDRTC-UHFFFAOYSA-N -1 3 381.504 3.063 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(SC)cc1 ZINC000435586264 567375188 /nfs/dbraw/zinc/37/51/88/567375188.db2.gz YKAUOTQJWREXTB-UHFFFAOYSA-N -1 3 399.921 3.370 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000435584952 567375742 /nfs/dbraw/zinc/37/57/42/567375742.db2.gz RFFYEYYAEOWHCB-ISVAXAHUSA-N -1 3 381.297 3.356 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1ccc(Br)cc1Cl ZINC000477170418 567377896 /nfs/dbraw/zinc/37/78/96/567377896.db2.gz TUBCSRCNDUCHDR-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM C[C@@]1(F)CCN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000501284394 567378357 /nfs/dbraw/zinc/37/83/57/567378357.db2.gz OHECIDBBVRDZDU-QGZVFWFLSA-N -1 3 388.530 3.323 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)oc1C ZINC000435602248 567378503 /nfs/dbraw/zinc/37/85/03/567378503.db2.gz BUYOGXCZTYCYSL-SMDDNHRTSA-N -1 3 387.816 3.002 20 0 GGADHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000435596339 567378670 /nfs/dbraw/zinc/37/86/70/567378670.db2.gz HKBOVMOEWPSSJC-UHFFFAOYSA-N -1 3 387.324 3.087 20 0 GGADHM CCC(O)(CC)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000569114421 567380645 /nfs/dbraw/zinc/38/06/45/567380645.db2.gz DXOCOQWHWHOXSK-UHFFFAOYSA-N -1 3 384.723 3.073 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN1C1CCCCC1)c1ccc(Br)o1 ZINC000435631663 567380972 /nfs/dbraw/zinc/38/09/72/567380972.db2.gz GIVIEXPNBQQKPZ-CYBMUJFWSA-N -1 3 391.331 3.118 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3c(ccc(F)c3F)s2)cc1 ZINC000501343761 567381508 /nfs/dbraw/zinc/38/15/08/567381508.db2.gz MTDORDDWKUAIOQ-UHFFFAOYSA-N -1 3 383.401 3.198 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000435636014 567382034 /nfs/dbraw/zinc/38/20/34/567382034.db2.gz JEABCXCTIAYSMS-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM O=c1[n-]nc(SCc2cscc2Br)n1C[C@H]1CCCO1 ZINC000569141391 567382694 /nfs/dbraw/zinc/38/26/94/567382694.db2.gz YWCUZRXFOPMDNE-SECBINFHSA-N -1 3 376.301 3.279 20 0 GGADHM Cn1c(=O)[n-]nc1SCc1ccc(I)c(Cl)c1 ZINC000435672166 567383376 /nfs/dbraw/zinc/38/33/76/567383376.db2.gz NJOUSQVSBLWBNM-UHFFFAOYSA-N -1 3 381.626 3.071 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CCC(F)(F)C1 ZINC000435710540 567384065 /nfs/dbraw/zinc/38/40/65/567384065.db2.gz VJSCTMQDYXELCC-QMMMGPOBSA-N -1 3 396.818 3.294 20 0 GGADHM CCc1occc1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000435710627 567384837 /nfs/dbraw/zinc/38/48/37/567384837.db2.gz VVNAPTGHUPGLHR-UHFFFAOYSA-N -1 3 386.832 3.328 20 0 GGADHM O=c1cc(CN2CCOC[C@H]2c2ccc(Br)cc2)nc(C2CC2)[n-]1 ZINC000661643808 567386075 /nfs/dbraw/zinc/38/60/75/567386075.db2.gz LOSQEURVBWNWFQ-INIZCTEOSA-N -1 3 390.281 3.396 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(F)(F)C(F)(F)C1 ZINC000569203584 567386368 /nfs/dbraw/zinc/38/63/68/567386368.db2.gz BMLUTUVXZMMLQX-UHFFFAOYSA-N -1 3 393.134 3.017 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c1Br ZINC000501420101 567386503 /nfs/dbraw/zinc/38/65/03/567386503.db2.gz HGGBRDDWMUMRNZ-NXEZZACHSA-N -1 3 384.242 3.196 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2c(C)cccc2C)c(Cl)c1 ZINC000549348314 567386711 /nfs/dbraw/zinc/38/67/11/567386711.db2.gz JVQYPOYAPIAOIS-UHFFFAOYSA-N -1 3 380.897 3.323 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]Cc1noc(-c2cccs2)n1 ZINC000549348281 567386885 /nfs/dbraw/zinc/38/68/85/567386885.db2.gz JMCNRFNDYAQSOI-UHFFFAOYSA-N -1 3 385.417 3.355 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000435743326 567387365 /nfs/dbraw/zinc/38/73/65/567387365.db2.gz RBWITRFKZQTPGE-SECBINFHSA-N -1 3 390.456 3.492 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2F)s1 ZINC000618452348 567389411 /nfs/dbraw/zinc/38/94/11/567389411.db2.gz WDXHMGLHIUGMEF-NXEZZACHSA-N -1 3 388.461 3.263 20 0 GGADHM CCN(CC)c1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cn1 ZINC000528015853 567389657 /nfs/dbraw/zinc/38/96/57/567389657.db2.gz OHPFRCGYWHOLOR-UHFFFAOYSA-N -1 3 378.270 3.326 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)NCCCSc2ccccc2)n1 ZINC000477344800 567389675 /nfs/dbraw/zinc/38/96/75/567389675.db2.gz AJNOATYUSHUJMH-UHFFFAOYSA-N -1 3 377.535 3.276 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000549380330 567389670 /nfs/dbraw/zinc/38/96/70/567389670.db2.gz VNHYLRPVWJEYNZ-OAHLLOKOSA-N -1 3 375.437 3.166 20 0 GGADHM O=C(CC1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1)N1CCCC1 ZINC000528005480 567390137 /nfs/dbraw/zinc/39/01/37/567390137.db2.gz JRESTRMNXZQZKY-UHFFFAOYSA-N -1 3 395.297 3.019 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)s1 ZINC000618452346 567390109 /nfs/dbraw/zinc/39/01/09/567390109.db2.gz WAENIFCJZCJAKZ-NSHDSACASA-N -1 3 386.926 3.120 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)s1 ZINC000618453355 567390176 /nfs/dbraw/zinc/39/01/76/567390176.db2.gz IPCYSPDASYANLV-LLVKDONJSA-N -1 3 386.926 3.120 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)s1 ZINC000618451654 567390249 /nfs/dbraw/zinc/39/02/49/567390249.db2.gz YXROTKXSQNWNFY-BXUZGUMPSA-N -1 3 396.559 3.461 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)s1 ZINC000618458189 567390262 /nfs/dbraw/zinc/39/02/62/567390262.db2.gz QAQAPWJCWXAHMM-KZULUSFZSA-N -1 3 378.519 3.375 20 0 GGADHM Cn1ncc2c1nc(CN1CC(C)(C)c3ccc(Br)cc31)[n-]c2=O ZINC000661758862 567390933 /nfs/dbraw/zinc/39/09/33/567390933.db2.gz XDIWUFRCKDQEKB-UHFFFAOYSA-N -1 3 388.269 3.129 20 0 GGADHM CCCCN(C)C(=O)C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528059331 567390894 /nfs/dbraw/zinc/39/08/94/567390894.db2.gz GRMQIXYTJFCMJW-UHFFFAOYSA-N -1 3 397.313 3.265 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)s1 ZINC000618458873 567391114 /nfs/dbraw/zinc/39/11/14/567391114.db2.gz JJSCWWSHZYEMLY-ZDUSSCGKSA-N -1 3 380.535 3.201 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)s1 ZINC000618459193 567391164 /nfs/dbraw/zinc/39/11/64/567391164.db2.gz HVNBERNBNKIOTF-SECBINFHSA-N -1 3 392.955 3.181 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@H]3C)o2)s1 ZINC000618459067 567391716 /nfs/dbraw/zinc/39/17/16/567391716.db2.gz ZJMUMOVBKPXJJV-GYSYKLTISA-N -1 3 382.507 3.140 20 0 GGADHM COC1(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000549464892 567392551 /nfs/dbraw/zinc/39/25/51/567392551.db2.gz GPXPZSPAHZEHSC-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])[C@H]1COc2ccccc21 ZINC000477422769 567393447 /nfs/dbraw/zinc/39/34/47/567393447.db2.gz VLNSIVNQIZVWKP-IAQYHMDHSA-N -1 3 376.250 3.378 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])[C@@H]1COc2ccccc21 ZINC000477422771 567393518 /nfs/dbraw/zinc/39/35/18/567393518.db2.gz VLNSIVNQIZVWKP-NHYWBVRUSA-N -1 3 376.250 3.378 20 0 GGADHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000549476401 567393843 /nfs/dbraw/zinc/39/38/43/567393843.db2.gz PTTSJJUFFFQSRE-AWEZNQCLSA-N -1 3 396.734 3.322 20 0 GGADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Br)cc1C(C)C ZINC000477437658 567394848 /nfs/dbraw/zinc/39/48/48/567394848.db2.gz UHIZXHOXNZNZEU-UHFFFAOYSA-N -1 3 382.214 3.035 20 0 GGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000477463247 567396112 /nfs/dbraw/zinc/39/61/12/567396112.db2.gz HGSFOBDYCLSXJE-GTNSWQLSSA-N -1 3 398.937 3.120 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)oc1C ZINC000549525199 567396913 /nfs/dbraw/zinc/39/69/13/567396913.db2.gz WDTBFWASCZVGON-UHFFFAOYSA-N -1 3 379.459 3.110 20 0 GGADHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000549555454 567397657 /nfs/dbraw/zinc/39/76/57/567397657.db2.gz GHEARFNDZDLPNK-IINYFYTJSA-N -1 3 396.734 3.073 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(Cl)cc(Br)c2F)cc1OC(F)F ZINC000435995896 567399021 /nfs/dbraw/zinc/39/90/21/567399021.db2.gz OERLPRVFDYVCLY-UHFFFAOYSA-N -1 3 398.566 3.251 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(CCc2cccs2)CC1 ZINC000528165877 567399730 /nfs/dbraw/zinc/39/97/30/567399730.db2.gz OUSNPMAUVXLARD-UHFFFAOYSA-N -1 3 395.322 3.217 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)c1Cl ZINC000549602057 567400268 /nfs/dbraw/zinc/40/02/68/567400268.db2.gz LGPYEEYTHFWAIO-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)s1 ZINC000549605089 567400312 /nfs/dbraw/zinc/40/03/12/567400312.db2.gz KSWAKYQPTPDJFL-XYPYZODXSA-N -1 3 385.894 3.413 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCOCC3)c1-c1ccc(Br)cc1 ZINC000640942765 567403337 /nfs/dbraw/zinc/40/33/37/567403337.db2.gz NEWMZJGYWVRUBX-AWEZNQCLSA-N -1 3 390.281 3.325 20 0 GGADHM [O-]c1ccc(Br)c(CN2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000501708943 567403386 /nfs/dbraw/zinc/40/33/86/567403386.db2.gz UGVFWMGBTKTWJJ-UHFFFAOYSA-N -1 3 385.265 3.470 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2C)ccc1[O-] ZINC000456704671 567404099 /nfs/dbraw/zinc/40/40/99/567404099.db2.gz ANYSZXCVMQOWMC-AWEZNQCLSA-N -1 3 392.293 3.353 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Cn2ccnc2)c1 ZINC000501750730 567404170 /nfs/dbraw/zinc/40/41/70/567404170.db2.gz XASWJGGXQJTOFB-UHFFFAOYSA-N -1 3 386.249 3.330 20 0 GGADHM CC[C@H](CSc1ccccc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000501731006 567404424 /nfs/dbraw/zinc/40/44/24/567404424.db2.gz ZSYTXWVWDSAMSB-OAHLLOKOSA-N -1 3 378.519 3.359 20 0 GGADHM O=C(N[C@H]1C[C@@H]1C(F)F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000569484435 567408114 /nfs/dbraw/zinc/40/81/14/567408114.db2.gz RRUVIWYHGKUKQO-WKEGUHRASA-N -1 3 391.599 3.327 20 0 GGADHM O=C(N[C@H]1C[C@@H]1C(F)F)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000569484435 567408121 /nfs/dbraw/zinc/40/81/21/567408121.db2.gz RRUVIWYHGKUKQO-WKEGUHRASA-N -1 3 391.599 3.327 20 0 GGADHM COCCCn1c(=O)[n-]nc1S[C@H](Cc1cccc(Cl)c1F)C(C)=O ZINC000436132071 567408387 /nfs/dbraw/zinc/40/83/87/567408387.db2.gz MKTVXHBXPJCOJX-CYBMUJFWSA-N -1 3 387.864 3.105 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cn1 ZINC000436156742 567408864 /nfs/dbraw/zinc/40/88/64/567408864.db2.gz WXJKWTGEAAZXAP-UHFFFAOYSA-N -1 3 384.841 3.110 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)ccc1[O-] ZINC000456720768 567409521 /nfs/dbraw/zinc/40/95/21/567409521.db2.gz OBAHBYHTHFLONQ-ZDUSSCGKSA-N -1 3 396.256 3.183 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C)c2cccs2)c1 ZINC000501878224 567410785 /nfs/dbraw/zinc/41/07/85/567410785.db2.gz CCSDPBWUZYCTPR-SNVBAGLBSA-N -1 3 387.454 3.112 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@H](CO)c1c(F)cccc1F ZINC000549773013 567410849 /nfs/dbraw/zinc/41/08/49/567410849.db2.gz IUHCXOPCWBBXCM-CQSZACIVSA-N -1 3 377.359 3.055 20 0 GGADHM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000549815758 567411545 /nfs/dbraw/zinc/41/15/45/567411545.db2.gz OCOIOYJVKUQBBY-BLLLJJGKSA-N -1 3 393.908 3.027 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCCC2(C)C)sc1Br ZINC000549872033 567415164 /nfs/dbraw/zinc/41/51/64/567415164.db2.gz COEXUFPRJVHPFU-ZDUSSCGKSA-N -1 3 382.345 3.039 20 0 GGADHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1nnc2n1CCCCC2 ZINC000528363973 567415618 /nfs/dbraw/zinc/41/56/18/567415618.db2.gz LJLGTZJMQDEYBX-CQSZACIVSA-N -1 3 393.285 3.354 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N=c1[n-]n(C)cc1Br ZINC000569578387 567415786 /nfs/dbraw/zinc/41/57/86/567415786.db2.gz JGMXMZUHFNEIFW-MRVPVSSYSA-N -1 3 392.175 3.029 20 0 GGADHM CCC[C@@H](OCC)C(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000528368752 567417119 /nfs/dbraw/zinc/41/71/19/567417119.db2.gz ZTVCIHPAKGJSJV-OAHLLOKOSA-N -1 3 378.441 3.260 20 0 GGADHM Cc1cccc2cc(C(=O)NCC[N-]S(=O)(=O)c3ccc(Cl)s3)oc21 ZINC000502065458 567417488 /nfs/dbraw/zinc/41/74/88/567417488.db2.gz DHEJXXBUQPDGDC-UHFFFAOYSA-N -1 3 398.893 3.164 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)C1CCCCC1)c1cc(F)ccc1Br ZINC000549915036 567418460 /nfs/dbraw/zinc/41/84/60/567418460.db2.gz NLYRPJCZJQCRAC-LBPRGKRZSA-N -1 3 394.306 3.055 20 0 GGADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1cc(F)ccc1Cl ZINC000549911007 567418470 /nfs/dbraw/zinc/41/84/70/567418470.db2.gz RALFCFWLZDZZTO-UHFFFAOYSA-N -1 3 382.766 3.414 20 0 GGADHM CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc([O-])cc(Br)c1 ZINC000528383269 567418795 /nfs/dbraw/zinc/41/87/95/567418795.db2.gz OEPTWIXUEIIBTM-UHFFFAOYSA-N -1 3 392.175 3.186 20 0 GGADHM COc1cccc(N2CC[C@H](NC(=O)c3cc([O-])cc(Br)c3)C2)c1 ZINC000528402155 567420094 /nfs/dbraw/zinc/42/00/94/567420094.db2.gz COAFWYXTXXMHBV-AWEZNQCLSA-N -1 3 391.265 3.172 20 0 GGADHM Cc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1Cl ZINC000502097168 567420330 /nfs/dbraw/zinc/42/03/30/567420330.db2.gz GXFMIJPDPNMVGT-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cc(I)ccc2C)on1 ZINC000477827060 567422066 /nfs/dbraw/zinc/42/20/66/567422066.db2.gz TWGRIOZYGZYODR-JTQLQIEISA-N -1 3 385.205 3.335 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000502192368 567422324 /nfs/dbraw/zinc/42/23/24/567422324.db2.gz DAMMSPSSPWRUHD-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000569675737 567422937 /nfs/dbraw/zinc/42/29/37/567422937.db2.gz RQSIJNBRHHUBLD-OCCSQVGLSA-N -1 3 399.925 3.370 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)c1 ZINC000502194102 567423097 /nfs/dbraw/zinc/42/30/97/567423097.db2.gz ILSHIMKAPMAZRJ-UHFFFAOYSA-N -1 3 391.923 3.259 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000569675736 567423162 /nfs/dbraw/zinc/42/31/62/567423162.db2.gz RQSIJNBRHHUBLD-JSGCOSHPSA-N -1 3 399.925 3.370 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)[C@H]1C1CC1 ZINC000528437035 567423271 /nfs/dbraw/zinc/42/32/71/567423271.db2.gz LMACWEHIOXKIMS-MCCGJVOXSA-N -1 3 376.400 3.308 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)OC)c1 ZINC000528447931 567423308 /nfs/dbraw/zinc/42/33/08/567423308.db2.gz IWRIEQXNJSYPLK-INIZCTEOSA-N -1 3 385.869 3.023 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Br)cc2OC(C)C)[n-]1 ZINC000618919671 567423363 /nfs/dbraw/zinc/42/33/63/567423363.db2.gz LYRJBRGZMISPHL-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2OC(C)C)c[n-]1 ZINC000618919671 567423365 /nfs/dbraw/zinc/42/33/65/567423365.db2.gz LYRJBRGZMISPHL-UHFFFAOYSA-N -1 3 396.241 3.388 20 0 GGADHM C[C@@H]1[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)[C@H]1C1CC1 ZINC000528437037 567423476 /nfs/dbraw/zinc/42/34/76/567423476.db2.gz LMACWEHIOXKIMS-PCTYZZJISA-N -1 3 376.400 3.308 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCSc2ccc(Br)cc2)[n-]1 ZINC000618920417 567423656 /nfs/dbraw/zinc/42/36/56/567423656.db2.gz WGLMYYGYLMBDKR-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCSc2ccc(Br)cc2)c[n-]1 ZINC000618920417 567423662 /nfs/dbraw/zinc/42/36/62/567423662.db2.gz WGLMYYGYLMBDKR-UHFFFAOYSA-N -1 3 398.282 3.470 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000502220396 567423915 /nfs/dbraw/zinc/42/39/15/567423915.db2.gz RPRIBJHNPDZFSN-INIZCTEOSA-N -1 3 379.869 3.084 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)c1 ZINC000502212296 567423953 /nfs/dbraw/zinc/42/39/53/567423953.db2.gz YITLKBSLXLONHZ-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)s1 ZINC000477879334 567424309 /nfs/dbraw/zinc/42/43/09/567424309.db2.gz NLXATFRWMPBEMY-STQMWFEESA-N -1 3 387.571 3.012 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000502255152 567425697 /nfs/dbraw/zinc/42/56/97/567425697.db2.gz MTZPMYGFGCAORO-AWEZNQCLSA-N -1 3 397.909 3.073 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502265682 567426684 /nfs/dbraw/zinc/42/66/84/567426684.db2.gz CKIIRDATACZGDJ-UHFFFAOYSA-N -1 3 388.276 3.032 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)c(F)c1 ZINC000593592779 567426802 /nfs/dbraw/zinc/42/68/02/567426802.db2.gz NOXPNHUTZHGEGZ-JTQLQIEISA-N -1 3 386.832 3.090 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2cc(F)c(Br)cc2F)on1 ZINC000528475463 567427723 /nfs/dbraw/zinc/42/77/23/567427723.db2.gz FYFDTQPSDLQCEZ-MRVPVSSYSA-N -1 3 395.225 3.204 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]CC2CC=CC2)cc1Cl ZINC000528470582 567427752 /nfs/dbraw/zinc/42/77/52/567427752.db2.gz SBNSOGRXQHZSIE-UHFFFAOYSA-N -1 3 380.691 3.356 20 0 GGADHM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000528488783 567429168 /nfs/dbraw/zinc/42/91/68/567429168.db2.gz JYTSAAMPPASEHE-MRXNPFEDSA-N -1 3 380.535 3.074 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000593624422 567430301 /nfs/dbraw/zinc/43/03/01/567430301.db2.gz XNUDGWQSWZEOSD-CHWSQXEVSA-N -1 3 377.915 3.079 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)CC[C@@H]1CCCCO1)c1nc(C(F)(F)F)cs1 ZINC000641365497 567430430 /nfs/dbraw/zinc/43/04/30/567430430.db2.gz XVIXVYBYDOYADM-WDEREUQCSA-N -1 3 386.461 3.492 20 0 GGADHM COc1cccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1[O-] ZINC000436522281 567431785 /nfs/dbraw/zinc/43/17/85/567431785.db2.gz SSVXQGMQMXFUCW-GFCCVEGCSA-N -1 3 382.185 3.166 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000569797972 567433197 /nfs/dbraw/zinc/43/31/97/567433197.db2.gz APTNRBQGQNYDEQ-QWHCGFSZSA-N -1 3 378.519 3.170 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccccc3)cs2)nc1C ZINC000502428061 567433652 /nfs/dbraw/zinc/43/36/52/567433652.db2.gz RQZJUUYZVFURRE-GFCCVEGCSA-N -1 3 376.507 3.374 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c([O-])c1 ZINC000436539729 567433798 /nfs/dbraw/zinc/43/37/98/567433798.db2.gz OXUSCRGLAJDNEM-INIZCTEOSA-N -1 3 391.265 3.235 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000478036145 567433972 /nfs/dbraw/zinc/43/39/72/567433972.db2.gz JYHHSAYYIPRXTP-DZGCQCFKSA-N -1 3 378.416 3.148 20 0 GGADHM Cn1cccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502420361 567434296 /nfs/dbraw/zinc/43/42/96/567434296.db2.gz SBZUYQZFJVZSDW-UHFFFAOYSA-N -1 3 381.654 3.059 20 0 GGADHM O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[O-] ZINC000436551353 567434389 /nfs/dbraw/zinc/43/43/89/567434389.db2.gz NLGNQQBIUIXJDV-CYBMUJFWSA-N -1 3 375.266 3.411 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000478036148 567434600 /nfs/dbraw/zinc/43/46/00/567434600.db2.gz JYHHSAYYIPRXTP-ZFWWWQNUSA-N -1 3 378.416 3.148 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000436553952 567435236 /nfs/dbraw/zinc/43/52/36/567435236.db2.gz IVJGZTMQUWCSSY-UHFFFAOYSA-N -1 3 376.210 3.151 20 0 GGADHM Cc1cc2sc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)nc2cc1F ZINC000478084124 567435269 /nfs/dbraw/zinc/43/52/69/567435269.db2.gz GZECMFCLUFEUHB-SECBINFHSA-N -1 3 399.494 3.111 20 0 GGADHM O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cc([O-])ccc1Cl ZINC000569836657 567435649 /nfs/dbraw/zinc/43/56/49/567435649.db2.gz YJIWBRBEBIFNMM-AWEZNQCLSA-N -1 3 388.620 3.411 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(F)(F)F)cc2)nc1C ZINC000502436490 567435812 /nfs/dbraw/zinc/43/58/12/567435812.db2.gz JZMQWKMAGCQAEU-NSHDSACASA-N -1 3 375.416 3.140 20 0 GGADHM C[C@]1(c2ccc(Cl)s2)[N-]C(=O)N(Cc2nnc(C(F)(F)F)s2)C1=O ZINC000641449667 567436027 /nfs/dbraw/zinc/43/60/27/567436027.db2.gz QUORUYHMIFDOQI-LLVKDONJSA-N -1 3 396.803 3.239 20 0 GGADHM CC(=O)c1ccc(C(=O)NCCc2ccc(F)c(Br)c2)cc1[O-] ZINC000436594203 567436506 /nfs/dbraw/zinc/43/65/06/567436506.db2.gz FYAWHOGQIHLCMH-UHFFFAOYSA-N -1 3 380.213 3.469 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000569846960 567437349 /nfs/dbraw/zinc/43/73/49/567437349.db2.gz RAHSLQDELASXRJ-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM Cc1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)c([O-])c1C ZINC000436608515 567438272 /nfs/dbraw/zinc/43/82/72/567438272.db2.gz UQPJJTQLTOGMGW-UHFFFAOYSA-N -1 3 384.295 3.468 20 0 GGADHM C[C@H]1CC[C@@H](CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000478152402 567439579 /nfs/dbraw/zinc/43/95/79/567439579.db2.gz IVOIECWVIYEFLW-NWDGAFQWSA-N -1 3 393.336 3.214 20 0 GGADHM C[C@@H]1CC[C@H](CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000478161202 567439793 /nfs/dbraw/zinc/43/97/93/567439793.db2.gz BHPPZSQJTBMGOO-OLZOCXBDSA-N -1 3 398.575 3.454 20 0 GGADHM C[C@H](c1cccnc1)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528584186 567439879 /nfs/dbraw/zinc/43/98/79/567439879.db2.gz UQOZHQZTNXVNCI-CYBMUJFWSA-N -1 3 390.281 3.069 20 0 GGADHM C[C@H]1CC[C@@H](CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000478168612 567439890 /nfs/dbraw/zinc/43/98/90/567439890.db2.gz JHFMIQNUWWLTSB-WDEREUQCSA-N -1 3 378.416 3.243 20 0 GGADHM Cc1c(Br)cccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436650585 567440783 /nfs/dbraw/zinc/44/07/83/567440783.db2.gz SAMWAOQWAMLERF-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1cncs1 ZINC000550328326 567441377 /nfs/dbraw/zinc/44/13/77/567441377.db2.gz QBCFQHYRRLFNRV-UHFFFAOYSA-N -1 3 393.412 3.105 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1OC(F)F ZINC000569917372 567443242 /nfs/dbraw/zinc/44/32/42/567443242.db2.gz XRMSHZDUKQNZDK-LBPRGKRZSA-N -1 3 379.400 3.197 20 0 GGADHM CN(CCCN(C)C(=O)c1cc(Br)ccc1[O-])Cc1ccco1 ZINC000436711710 567443603 /nfs/dbraw/zinc/44/36/03/567443603.db2.gz KHVQGYAUXQQELU-UHFFFAOYSA-N -1 3 381.270 3.342 20 0 GGADHM Cc1cc(Br)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436699242 567443636 /nfs/dbraw/zinc/44/36/36/567443636.db2.gz SUBVUAWRDDQEEM-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CCC[C@H](OCC)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000528648390 567444653 /nfs/dbraw/zinc/44/46/53/567444653.db2.gz GJSXPUHQOVIJPI-AWEZNQCLSA-N -1 3 392.880 3.064 20 0 GGADHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000569929344 567445476 /nfs/dbraw/zinc/44/54/76/567445476.db2.gz PFRBRZYFIJXWNC-MRVPVSSYSA-N -1 3 392.175 3.029 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000478277413 567445709 /nfs/dbraw/zinc/44/57/09/567445709.db2.gz HYIVBYSOQAMCEN-SECBINFHSA-N -1 3 381.201 3.051 20 0 GGADHM COc1ccc(C(=O)N2CCOc3ccc(Br)cc3C2)c([O-])c1 ZINC000436715767 567445838 /nfs/dbraw/zinc/44/58/38/567445838.db2.gz MIFHHPFQDFCFAI-UHFFFAOYSA-N -1 3 378.222 3.198 20 0 GGADHM C[C@@H]1[C@H](C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)[C@H]1C1CC1 ZINC000528651961 567446260 /nfs/dbraw/zinc/44/62/60/567446260.db2.gz SJFJBFUERJQKHN-KHQRDOKYSA-N -1 3 386.876 3.150 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CC[C@H]2C[C@H]2C1 ZINC000619354568 567446379 /nfs/dbraw/zinc/44/63/79/567446379.db2.gz HAEPYLHNPHKGHD-KBPBESRZSA-N -1 3 382.551 3.231 20 0 GGADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000528651959 567446630 /nfs/dbraw/zinc/44/66/30/567446630.db2.gz SJFJBFUERJQKHN-FOJFLGBKSA-N -1 3 386.876 3.150 20 0 GGADHM CN(C)Cc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1F ZINC000436738663 567447048 /nfs/dbraw/zinc/44/70/48/567447048.db2.gz OPAPSSYLUSZOQF-UHFFFAOYSA-N -1 3 381.245 3.285 20 0 GGADHM CCN=c1[n-]c(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cs1 ZINC000478294834 567447163 /nfs/dbraw/zinc/44/71/63/567447163.db2.gz VSJIEOKKXJSZAM-CYBMUJFWSA-N -1 3 378.929 3.215 20 0 GGADHM CN1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1Cc1ccccc1 ZINC000436730329 567447227 /nfs/dbraw/zinc/44/72/27/567447227.db2.gz KXCQPFXERCOHGS-INIZCTEOSA-N -1 3 389.293 3.154 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2oc3ccccc3c2C)s1 ZINC000436733279 567447361 /nfs/dbraw/zinc/44/73/61/567447361.db2.gz VMXLHCLUPYGBBH-SNVBAGLBSA-N -1 3 379.463 3.196 20 0 GGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@H]2C[C@H]2C1 ZINC000619365354 567448064 /nfs/dbraw/zinc/44/80/64/567448064.db2.gz AHJUWEVTOIEQML-IUCAKERBSA-N -1 3 381.657 3.426 20 0 GGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619365354 567448068 /nfs/dbraw/zinc/44/80/68/567448068.db2.gz AHJUWEVTOIEQML-IUCAKERBSA-N -1 3 381.657 3.426 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2ccc(Br)cc2Br)CC1 ZINC000641678362 567448719 /nfs/dbraw/zinc/44/87/19/567448719.db2.gz NJPWYVXXEANJOA-UHFFFAOYSA-N -1 3 399.104 3.132 20 0 GGADHM Brc1ccc(-c2csc(N=c3ncnc4[nH][n-]cc3-4)n2)s1 ZINC000502727000 567448761 /nfs/dbraw/zinc/44/87/61/567448761.db2.gz LQYMEBQKMCXTAN-UHFFFAOYSA-N -1 3 379.268 3.418 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCCSc3ccccc32)ccc1F ZINC000502708473 567449004 /nfs/dbraw/zinc/44/90/04/567449004.db2.gz XWNNCUWQUSAIDM-UHFFFAOYSA-N -1 3 380.466 3.340 20 0 GGADHM CC(C)n1cc2c(n1)C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])CC2 ZINC000478348983 567449716 /nfs/dbraw/zinc/44/97/16/567449716.db2.gz YHRQHXRPLMAJGT-OAHLLOKOSA-N -1 3 392.297 3.148 20 0 GGADHM CN(C)Cc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1F ZINC000436742079 567449927 /nfs/dbraw/zinc/44/99/27/567449927.db2.gz WSJRCQWGCVHXNS-UHFFFAOYSA-N -1 3 381.245 3.285 20 0 GGADHM COc1ccc(C(=O)NCc2nc3cc(Br)ccc3o2)c([O-])c1 ZINC000436750714 567450021 /nfs/dbraw/zinc/45/00/21/567450021.db2.gz XWOCISJUDINBPO-UHFFFAOYSA-N -1 3 377.194 3.235 20 0 GGADHM COc1cccc(C(=O)NCc2nc3cc(Br)ccc3o2)c1[O-] ZINC000436747700 567450092 /nfs/dbraw/zinc/45/00/92/567450092.db2.gz MQNKWZHWALPKRZ-UHFFFAOYSA-N -1 3 377.194 3.235 20 0 GGADHM CCN(C(=O)c1cc([N-]S(=O)(=O)C2(COC)CC2)ccc1Cl)C(C)C ZINC000641686657 567450320 /nfs/dbraw/zinc/45/03/20/567450320.db2.gz YVNBCBLGBYQBQN-UHFFFAOYSA-N -1 3 388.917 3.131 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N=S3(=O)CCCC3)cc2)cc1 ZINC000641692051 567450372 /nfs/dbraw/zinc/45/03/72/567450372.db2.gz JVGQGBOXKRIBQJ-UHFFFAOYSA-N -1 3 380.491 3.389 20 0 GGADHM COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC000436781918 567451040 /nfs/dbraw/zinc/45/10/40/567451040.db2.gz VXCZGSAZTKEKHZ-CYBMUJFWSA-N -1 3 391.265 3.172 20 0 GGADHM COc1cccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1[O-] ZINC000436778845 567451125 /nfs/dbraw/zinc/45/11/25/567451125.db2.gz IMLOARTWYYLFRV-ZDUSSCGKSA-N -1 3 391.265 3.172 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@@H](CC)CN1C(C)=O ZINC000528740220 567451294 /nfs/dbraw/zinc/45/12/94/567451294.db2.gz SGAFLVASYPONNU-CABCVRRESA-N -1 3 383.286 3.016 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCc2ccc(C)cc2Br)[n-]1 ZINC000619447153 567452213 /nfs/dbraw/zinc/45/22/13/567452213.db2.gz MRDNWJZLPNSSEJ-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCc2ccc(C)cc2Br)c[n-]1 ZINC000619447153 567452218 /nfs/dbraw/zinc/45/22/18/567452218.db2.gz MRDNWJZLPNSSEJ-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCN(CCNC(=O)c1cc(Br)ccc1[O-])CCC(F)(F)F ZINC000436797585 567452235 /nfs/dbraw/zinc/45/22/35/567452235.db2.gz ONWFRIKMABQXHP-UHFFFAOYSA-N -1 3 383.208 3.159 20 0 GGADHM COc1cc(-c2noc(CS(=O)(=O)c3ccc(Cl)cc3)n2)ccc1[O-] ZINC000436786111 567452577 /nfs/dbraw/zinc/45/25/77/567452577.db2.gz RQIAJSVXSCVGRW-UHFFFAOYSA-N -1 3 380.809 3.078 20 0 GGADHM CCc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c([O-])c1 ZINC000436796825 567452796 /nfs/dbraw/zinc/45/27/96/567452796.db2.gz LEVLFYVUTMTEAU-UHFFFAOYSA-N -1 3 391.265 3.428 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)Cc2ccc(Br)c(Cl)c2)[n-]1 ZINC000619446371 567453105 /nfs/dbraw/zinc/45/31/05/567453105.db2.gz HQSMXPLGTBMVRA-UHFFFAOYSA-N -1 3 386.633 3.184 20 0 GGADHM CCOC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])nc1C ZINC000436803368 567453097 /nfs/dbraw/zinc/45/30/97/567453097.db2.gz JSXCILRHKJJXOC-UHFFFAOYSA-N -1 3 379.210 3.287 20 0 GGADHM CCOC(=O)c1nc(NC(=O)Cc2ccc(Br)c(Cl)c2)c[n-]1 ZINC000619446371 567453108 /nfs/dbraw/zinc/45/31/08/567453108.db2.gz HQSMXPLGTBMVRA-UHFFFAOYSA-N -1 3 386.633 3.184 20 0 GGADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436820646 567453828 /nfs/dbraw/zinc/45/38/28/567453828.db2.gz IBGORJYYNUKTJE-QLJPJBMISA-N -1 3 380.238 3.366 20 0 GGADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c([O-])c1C ZINC000436807873 567453855 /nfs/dbraw/zinc/45/38/55/567453855.db2.gz ZTUFWLUEMPVYLK-HNNXBMFYSA-N -1 3 382.229 3.374 20 0 GGADHM COc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1[O-] ZINC000436819427 567454544 /nfs/dbraw/zinc/45/45/44/567454544.db2.gz NHGNECQUBRYEIE-GFCCVEGCSA-N -1 3 391.265 3.172 20 0 GGADHM CC(=O)c1sc2[n-]c(CSc3nnc(OC(C)C)s3)nc(=O)c2c1C ZINC000502820381 567454906 /nfs/dbraw/zinc/45/49/06/567454906.db2.gz XWWBSDHXQQMCPP-UHFFFAOYSA-N -1 3 396.519 3.427 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)s1 ZINC000570052179 567455660 /nfs/dbraw/zinc/45/56/60/567455660.db2.gz GJOUUBLQYYCMKT-MRVPVSSYSA-N -1 3 377.896 3.215 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000478440240 567455726 /nfs/dbraw/zinc/45/57/26/567455726.db2.gz WOLQNGBODMKCAA-AWEZNQCLSA-N -1 3 383.231 3.121 20 0 GGADHM COc1cc(Br)ccc1CCCNC(=O)c1c([O-])cccc1O ZINC000436844706 567455943 /nfs/dbraw/zinc/45/59/43/567455943.db2.gz PMFZKLUANLBLIA-UHFFFAOYSA-N -1 3 380.238 3.232 20 0 GGADHM O=C(NCCc1c[nH]c2ccc(Br)cc12)c1c([O-])cccc1O ZINC000436844212 567456030 /nfs/dbraw/zinc/45/60/30/567456030.db2.gz DYQCMNYQYYDXBZ-UHFFFAOYSA-N -1 3 375.222 3.314 20 0 GGADHM COc1cc(Br)cc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436842560 567456142 /nfs/dbraw/zinc/45/61/42/567456142.db2.gz YHTGTHRPULNPBT-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM CCc1ccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c([O-])c1 ZINC000436828926 567456533 /nfs/dbraw/zinc/45/65/33/567456533.db2.gz KEPBUWCZTPNMDE-UHFFFAOYSA-N -1 3 396.256 3.491 20 0 GGADHM O=C(Nc1ncccc1[O-])C1(c2ccc(I)cc2)CC1 ZINC000502857972 567457263 /nfs/dbraw/zinc/45/72/63/567457263.db2.gz GWQJVVFWSCOGPD-UHFFFAOYSA-N -1 3 380.185 3.062 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c(F)c1 ZINC000619478867 567457733 /nfs/dbraw/zinc/45/77/33/567457733.db2.gz BYAZINXZOYZVBN-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CN(C)Cc1ccc(CNC(=O)c2cc(F)cc(Br)c2[O-])cc1 ZINC000436851887 567457775 /nfs/dbraw/zinc/45/77/75/567457775.db2.gz NCWJLEXDMHDTDN-UHFFFAOYSA-N -1 3 381.245 3.285 20 0 GGADHM COCCOc1cc(C)ccc1CNC(=O)c1cc([O-])cc(Br)c1 ZINC000528808248 567458292 /nfs/dbraw/zinc/45/82/92/567458292.db2.gz CAXUIFRQKYIBPH-UHFFFAOYSA-N -1 3 394.265 3.418 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)c2ncccc12 ZINC000641875967 567458878 /nfs/dbraw/zinc/45/88/78/567458878.db2.gz BMYFEDHPBCUNKD-UHFFFAOYSA-N -1 3 395.893 3.257 20 0 GGADHM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([O-])cc(Br)c1 ZINC000528825303 567459555 /nfs/dbraw/zinc/45/95/55/567459555.db2.gz FXQPHDMAAHFOKB-HNNXBMFYSA-N -1 3 395.297 3.066 20 0 GGADHM CN1CC[C@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000436857870 567459627 /nfs/dbraw/zinc/45/96/27/567459627.db2.gz LRPCEYAIYATBOV-JKSUJKDBSA-N -1 3 393.256 3.469 20 0 GGADHM O=C(NCCCc1ccc2c(c1)OCCO2)c1cc([O-])cc(Br)c1 ZINC000528821373 567459737 /nfs/dbraw/zinc/45/97/37/567459737.db2.gz RPYJEGKUBBJOMM-UHFFFAOYSA-N -1 3 392.249 3.289 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000641914085 567460793 /nfs/dbraw/zinc/46/07/93/567460793.db2.gz FKVUFQGVLMQUQN-UHFFFAOYSA-N -1 3 385.713 3.216 20 0 GGADHM CN(C)C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)c2ccccc2O1 ZINC000528828514 567460976 /nfs/dbraw/zinc/46/09/76/567460976.db2.gz AXYSMRRQWOBVQN-OAHLLOKOSA-N -1 3 391.265 3.124 20 0 GGADHM Cc1cccc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c1[O-] ZINC000436869659 567461577 /nfs/dbraw/zinc/46/15/77/567461577.db2.gz NPPXDMQEJZFWLL-AWEZNQCLSA-N -1 3 378.266 3.044 20 0 GGADHM COCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000641965798 567461917 /nfs/dbraw/zinc/46/19/17/567461917.db2.gz BHSIXCIWBKTMDX-UHFFFAOYSA-N -1 3 389.260 3.379 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)c([O-])c1 ZINC000436882551 567462985 /nfs/dbraw/zinc/46/29/85/567462985.db2.gz SORRRILKVQKILM-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000641983497 567463391 /nfs/dbraw/zinc/46/33/91/567463391.db2.gz URESNTJZZGEGQS-UEKVPHQBSA-N -1 3 393.336 3.213 20 0 GGADHM Cc1cccc([C@@H]2C(=O)NCCN2Cc2cc([O-])ccc2Br)c1 ZINC000570176473 567463386 /nfs/dbraw/zinc/46/33/86/567463386.db2.gz OYDUPURCZOPTDT-QGZVFWFLSA-N -1 3 375.266 3.136 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1cccc(Cl)c1Cl ZINC000642006864 567463709 /nfs/dbraw/zinc/46/37/09/567463709.db2.gz SOCXFAGHFAAZLT-UHFFFAOYSA-N -1 3 393.317 3.040 20 0 GGADHM COc1cccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1[O-] ZINC000436901210 567464482 /nfs/dbraw/zinc/46/44/82/567464482.db2.gz AGILUWRMRASXGU-UHFFFAOYSA-N -1 3 388.221 3.023 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2nn[n-]c21)Oc1cccc(Br)c1 ZINC000503004520 567464687 /nfs/dbraw/zinc/46/46/87/567464687.db2.gz VKNIJCBYVMDGQP-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2[n-]nnc21)Oc1cccc(Br)c1 ZINC000503004520 567464696 /nfs/dbraw/zinc/46/46/96/567464696.db2.gz VKNIJCBYVMDGQP-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM C[C@@H](CNC(=O)c1cc(F)cc2n[n-]nc21)Oc1cccc(Br)c1 ZINC000503004520 567464704 /nfs/dbraw/zinc/46/47/04/567464704.db2.gz VKNIJCBYVMDGQP-VIFPVBQESA-N -1 3 393.216 3.057 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2ccccc2Br)sc1C ZINC000570186614 567465003 /nfs/dbraw/zinc/46/50/03/567465003.db2.gz PXSAOWUAYMRHLR-UHFFFAOYSA-N -1 3 375.313 3.142 20 0 GGADHM COC(=O)Cc1n[n-]c(NC(=O)c2csc(-c3ccc(Cl)cc3)c2)n1 ZINC000550864035 567466270 /nfs/dbraw/zinc/46/62/70/567466270.db2.gz CJFJPISBRKHYGV-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)Cc1nnc(NC(=O)c2csc(-c3ccc(Cl)cc3)c2)[n-]1 ZINC000550864035 567466276 /nfs/dbraw/zinc/46/62/76/567466276.db2.gz CJFJPISBRKHYGV-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)c2)n[n-]1 ZINC000550864035 567466283 /nfs/dbraw/zinc/46/62/83/567466283.db2.gz CJFJPISBRKHYGV-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436927906 567466732 /nfs/dbraw/zinc/46/67/32/567466732.db2.gz UIWRMYYDXSPHNQ-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM COc1cccc(C(=O)NC[C@H](C)Oc2ccccc2Br)c1[O-] ZINC000436922387 567467046 /nfs/dbraw/zinc/46/70/46/567467046.db2.gz XQOJSMDXIYLMFK-NSHDSACASA-N -1 3 380.238 3.361 20 0 GGADHM Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(C)c3[O-])nc12 ZINC000436934823 567468566 /nfs/dbraw/zinc/46/85/66/567468566.db2.gz IDMJIVUZLJRCSB-UHFFFAOYSA-N -1 3 388.265 3.392 20 0 GGADHM COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436936246 567468654 /nfs/dbraw/zinc/46/86/54/567468654.db2.gz AHJGFYITOUWMLL-MRXNPFEDSA-N -1 3 392.249 3.449 20 0 GGADHM COC(=O)c1cc(NC(=O)c2cc(OC)ccc2[O-])cc(Br)c1F ZINC000436951256 567468805 /nfs/dbraw/zinc/46/88/05/567468805.db2.gz XYVCNNYPGUHBDS-UHFFFAOYSA-N -1 3 398.184 3.341 20 0 GGADHM Cc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c([O-])c1 ZINC000436937209 567469063 /nfs/dbraw/zinc/46/90/63/567469063.db2.gz PKINCKHGTQMMEA-UHFFFAOYSA-N -1 3 388.265 3.392 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528930770 567470017 /nfs/dbraw/zinc/47/00/17/567470017.db2.gz FJTDPKKJKKCARY-NSHDSACASA-N -1 3 391.269 3.170 20 0 GGADHM CSc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000436970970 567470720 /nfs/dbraw/zinc/47/07/20/567470720.db2.gz GZWGNOFPZROAKQ-UHFFFAOYSA-N -1 3 379.869 3.319 20 0 GGADHM COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1ccc([O-])c(C)c1 ZINC000436990496 567472194 /nfs/dbraw/zinc/47/21/94/567472194.db2.gz QDZDPHOLSSLRGS-UHFFFAOYSA-N -1 3 392.249 3.279 20 0 GGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503173554 567472494 /nfs/dbraw/zinc/47/24/94/567472494.db2.gz QUEBOZXXQIRUFP-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503173554 567472498 /nfs/dbraw/zinc/47/24/98/567472498.db2.gz QUEBOZXXQIRUFP-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503173554 567472502 /nfs/dbraw/zinc/47/25/02/567472502.db2.gz QUEBOZXXQIRUFP-VIFPVBQESA-N -1 3 377.217 3.221 20 0 GGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000551007276 567472608 /nfs/dbraw/zinc/47/26/08/567472608.db2.gz FIRGUIIXKPFKCB-JTQLQIEISA-N -1 3 395.834 3.478 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCC3)c1Cl ZINC000594384701 567473400 /nfs/dbraw/zinc/47/34/00/567473400.db2.gz XIOPOUSFKLOMIC-SNVBAGLBSA-N -1 3 389.308 3.187 20 0 GGADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1cc(C(F)(F)F)ccc1F ZINC000503218155 567473782 /nfs/dbraw/zinc/47/37/82/567473782.db2.gz JILKAASBDBIGLM-UHFFFAOYSA-N -1 3 379.360 3.032 20 0 GGADHM Cc1cccc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c1[O-] ZINC000437000362 567473841 /nfs/dbraw/zinc/47/38/41/567473841.db2.gz NEJQVSIGRQPYGO-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccc(Br)cc1[O-] ZINC000642323474 567474923 /nfs/dbraw/zinc/47/49/23/567474923.db2.gz BKTFHAXRYBQWTE-UHFFFAOYSA-N -1 3 382.185 3.342 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1cn2ccsc2n1 ZINC000503236523 567475208 /nfs/dbraw/zinc/47/52/08/567475208.db2.gz MZHKQARSFUHTMG-UHFFFAOYSA-N -1 3 376.290 3.322 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)cc1Cl ZINC000503233816 567475834 /nfs/dbraw/zinc/47/58/34/567475834.db2.gz SHLIRFRQOXDSEH-UHFFFAOYSA-N -1 3 392.289 3.190 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CCCc4occc43)cc2N1 ZINC000642332868 567476306 /nfs/dbraw/zinc/47/63/06/567476306.db2.gz CPUGCNZXDOAWII-CYBMUJFWSA-N -1 3 380.853 3.174 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]Cc3cccc(Cl)c3)cc2N1 ZINC000642331319 567476364 /nfs/dbraw/zinc/47/63/64/567476364.db2.gz NORBWPMIGRCUOD-UHFFFAOYSA-N -1 3 385.272 3.357 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000503245899 567477453 /nfs/dbraw/zinc/47/74/53/567477453.db2.gz LMULWUAPPKNIAR-NSHDSACASA-N -1 3 388.272 3.284 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2ccc(F)cc2F)no1)c1ccc(Cl)s1 ZINC000551105342 567478681 /nfs/dbraw/zinc/47/86/81/567478681.db2.gz DCHYDUMOOZOCDO-UHFFFAOYSA-N -1 3 391.808 3.208 20 0 GGADHM COCc1cccc2sc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)nc21 ZINC000503266650 567478938 /nfs/dbraw/zinc/47/89/38/567478938.db2.gz JOTZOVPLXIFZOB-UHFFFAOYSA-N -1 3 382.488 3.160 20 0 GGADHM CCSc1ccc(Cl)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503289592 567479009 /nfs/dbraw/zinc/47/90/09/567479009.db2.gz HXOGDRBTMFHBKE-UHFFFAOYSA-N -1 3 385.898 3.471 20 0 GGADHM CN(CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(F)(F)F ZINC000642523531 567480340 /nfs/dbraw/zinc/48/03/40/567480340.db2.gz KTHIZVHEWKPLBS-UHFFFAOYSA-N -1 3 379.231 3.156 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)OC(C)(C)C ZINC000594478970 567480456 /nfs/dbraw/zinc/48/04/56/567480456.db2.gz ZGEFKTZIACQKJX-VIFPVBQESA-N -1 3 399.843 3.198 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000642524102 567480471 /nfs/dbraw/zinc/48/04/71/567480471.db2.gz RCCWUBDKIZAEKP-GHMZBOCLSA-N -1 3 382.345 3.384 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000642523534 567480892 /nfs/dbraw/zinc/48/08/92/567480892.db2.gz LHVPYAWAFHSECI-NSHDSACASA-N -1 3 395.750 3.113 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1 ZINC000437189192 567481089 /nfs/dbraw/zinc/48/10/89/567481089.db2.gz KNMLZGVRPRZCJR-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM O=S(=O)([N-][C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccn1 ZINC000478759254 567481628 /nfs/dbraw/zinc/48/16/28/567481628.db2.gz IMZUAQPALZZIEF-HNNXBMFYSA-N -1 3 385.258 3.413 20 0 GGADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000478755580 567481803 /nfs/dbraw/zinc/48/18/03/567481803.db2.gz NDNZZPRXBMCZOS-UONOGXRCSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000478761266 567482009 /nfs/dbraw/zinc/48/20/09/567482009.db2.gz BMZWNHZAXSMWPS-KBPBESRZSA-N -1 3 394.306 3.460 20 0 GGADHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(Br)s1)C(C)C ZINC000478774184 567483089 /nfs/dbraw/zinc/48/30/89/567483089.db2.gz RRPWBYADZKLWQE-ZDUSSCGKSA-N -1 3 398.344 3.157 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)COc1ccc2c([O-])coc2c1 ZINC000642608597 567484462 /nfs/dbraw/zinc/48/44/62/567484462.db2.gz JNYSGHKPGHOXAT-UHFFFAOYSA-N -1 3 376.206 3.350 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)cc1F ZINC000551171259 567484542 /nfs/dbraw/zinc/48/45/42/567484542.db2.gz HDJFNVBRQZGVER-JOCHJYFZSA-N -1 3 375.874 3.467 20 0 GGADHM Cc1cccnc1C(C)(C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000570432876 567485253 /nfs/dbraw/zinc/48/52/53/567485253.db2.gz IPGKUNKOKOZPIO-UHFFFAOYSA-N -1 3 377.282 3.495 20 0 GGADHM CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000529092839 567485304 /nfs/dbraw/zinc/48/53/04/567485304.db2.gz SQMVPRBTBDCYNN-GJZGRUSLSA-N -1 3 394.269 3.021 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cs1 ZINC000437284220 567486549 /nfs/dbraw/zinc/48/65/49/567486549.db2.gz AYDUROKFTXNZNH-NSHDSACASA-N -1 3 395.531 3.453 20 0 GGADHM C[C@@H]1C[C@@H](C)[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000503462761 567486981 /nfs/dbraw/zinc/48/69/81/567486981.db2.gz DQVYNTQZQUMJRF-KEMUVXCRSA-N -1 3 382.233 3.152 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)c(F)c1 ZINC000478867758 567487238 /nfs/dbraw/zinc/48/72/38/567487238.db2.gz NQRLCARSTPIWPI-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1ccc(F)cn1 ZINC000503468390 567487239 /nfs/dbraw/zinc/48/72/39/567487239.db2.gz SDKINJQJNMLKDS-UHFFFAOYSA-N -1 3 379.164 3.187 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000437292392 567487763 /nfs/dbraw/zinc/48/77/63/567487763.db2.gz VVUAJJPVGZOPLJ-NWDGAFQWSA-N -1 3 398.472 3.031 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437292390 567487810 /nfs/dbraw/zinc/48/78/10/567487810.db2.gz VVUAJJPVGZOPLJ-NEPJUHHUSA-N -1 3 398.472 3.031 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437292393 567487875 /nfs/dbraw/zinc/48/78/75/567487875.db2.gz VVUAJJPVGZOPLJ-RYUDHWBXSA-N -1 3 398.472 3.031 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000437298106 567488116 /nfs/dbraw/zinc/48/81/16/567488116.db2.gz FGRKSXMCQJFQAJ-GXSJLCMTSA-N -1 3 385.429 3.182 20 0 GGADHM Cn1nc(C(F)(F)F)cc1CNC[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000663259215 567488163 /nfs/dbraw/zinc/48/81/63/567488163.db2.gz SLMDXSGJXWBZFR-NSHDSACASA-N -1 3 375.778 3.125 20 0 GGADHM Cn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c(-c2ccccc2)n1 ZINC000551210181 567488463 /nfs/dbraw/zinc/48/84/63/567488463.db2.gz BWKLMTQPPVGQNU-UHFFFAOYSA-N -1 3 379.844 3.358 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)c(Br)c1)c1cc(Cl)ccc1F ZINC000551208347 567488550 /nfs/dbraw/zinc/48/85/50/567488550.db2.gz XFMKTCIDXVCGPV-UHFFFAOYSA-N -1 3 394.649 3.426 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000503486482 567488698 /nfs/dbraw/zinc/48/86/98/567488698.db2.gz JMFVLEDLEYNQSJ-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cnn(CC2CC2)c1 ZINC000642887888 567488772 /nfs/dbraw/zinc/48/87/72/567488772.db2.gz HGAFOEBCXHBGGS-UHFFFAOYSA-N -1 3 384.299 3.040 20 0 GGADHM O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cc([O-])cc(Br)c1 ZINC000529131418 567489236 /nfs/dbraw/zinc/48/92/36/567489236.db2.gz VHPZEWBDVXJLJY-MRXNPFEDSA-N -1 3 395.297 3.208 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1csc([C@@H](C)OC)n1 ZINC000437311157 567491063 /nfs/dbraw/zinc/49/10/63/567491063.db2.gz YPOJOBLBNQBHBZ-SNVBAGLBSA-N -1 3 390.914 3.132 20 0 GGADHM Cc1ccc([C@H](C)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000503528230 567491251 /nfs/dbraw/zinc/49/12/51/567491251.db2.gz SJZMZQSZQPXEEF-GJZGRUSLSA-N -1 3 380.535 3.251 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503519609 567491330 /nfs/dbraw/zinc/49/13/30/567491330.db2.gz SDNDFSMPNXQNME-QMMMGPOBSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503519609 567491331 /nfs/dbraw/zinc/49/13/31/567491331.db2.gz SDNDFSMPNXQNME-QMMMGPOBSA-N -1 3 395.207 3.360 20 0 GGADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503519609 567491332 /nfs/dbraw/zinc/49/13/32/567491332.db2.gz SDNDFSMPNXQNME-QMMMGPOBSA-N -1 3 395.207 3.360 20 0 GGADHM Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000503528231 567491382 /nfs/dbraw/zinc/49/13/82/567491382.db2.gz SJZMZQSZQPXEEF-HUUCEWRRSA-N -1 3 380.535 3.251 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cs1 ZINC000437328587 567492003 /nfs/dbraw/zinc/49/20/03/567492003.db2.gz WRHKGPJKJYGGCO-SECBINFHSA-N -1 3 396.412 3.228 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(C)C)c1 ZINC000437323085 567492578 /nfs/dbraw/zinc/49/25/78/567492578.db2.gz JWLOKFWWNUNDEC-OAHLLOKOSA-N -1 3 385.482 3.219 20 0 GGADHM O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc([O-])cc(Br)c1 ZINC000529168983 567492885 /nfs/dbraw/zinc/49/28/85/567492885.db2.gz SQWSQGSXSPGRCG-AEFFLSMTSA-N -1 3 394.240 3.190 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(CCC(C)C)C2CCCC2)s1 ZINC000478970687 567493512 /nfs/dbraw/zinc/49/35/12/567493512.db2.gz YCURBGXZGKLJRN-UHFFFAOYSA-N -1 3 387.571 3.157 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000437361602 567494793 /nfs/dbraw/zinc/49/47/93/567494793.db2.gz BDHGWTIBXPKWLF-XJKSGUPXSA-N -1 3 382.844 3.137 20 0 GGADHM CN1C(=O)N(Cc2ccc([O-])c(F)c2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000479022434 567495779 /nfs/dbraw/zinc/49/57/79/567495779.db2.gz BJTYXJJEUUJYKH-HNNXBMFYSA-N -1 3 393.212 3.429 20 0 GGADHM COc1cccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c1Cl ZINC000594677808 567495810 /nfs/dbraw/zinc/49/58/10/567495810.db2.gz KOEHTXGUEUJEAU-XMMPIXPASA-N -1 3 380.775 3.312 20 0 GGADHM CN1C(=O)N(Cc2ccc([O-])c(F)c2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000479022436 567495889 /nfs/dbraw/zinc/49/58/89/567495889.db2.gz BJTYXJJEUUJYKH-OAHLLOKOSA-N -1 3 393.212 3.429 20 0 GGADHM CCCCc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000437428387 567496085 /nfs/dbraw/zinc/49/60/85/567496085.db2.gz NYZUZFFYFAUGKP-UHFFFAOYSA-N -1 3 381.523 3.191 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)Nc1ccccc1 ZINC000643194157 567496397 /nfs/dbraw/zinc/49/63/97/567496397.db2.gz CMMXYSHAIYXIIA-UHFFFAOYSA-N -1 3 392.424 3.463 20 0 GGADHM CC(C)c1cc(C[N-]S(=O)(=O)CCc2ccccc2Br)on1 ZINC000643195498 567496535 /nfs/dbraw/zinc/49/65/35/567496535.db2.gz GXDFMYZYIVFFSD-UHFFFAOYSA-N -1 3 387.299 3.223 20 0 GGADHM CCOc1cc(CN2CCN(CC(F)(F)C(F)F)CC2)cc(Cl)c1[O-] ZINC000551329206 567497277 /nfs/dbraw/zinc/49/72/77/567497277.db2.gz MTSIDVVDSAWSCE-UHFFFAOYSA-N -1 3 384.801 3.462 20 0 GGADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000551318602 567497361 /nfs/dbraw/zinc/49/73/61/567497361.db2.gz MSNHMKYSAROHNG-BXUZGUMPSA-N -1 3 376.400 3.068 20 0 GGADHM CC(C)(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)[C@@]1(O)CCCOC1 ZINC000620115928 567497720 /nfs/dbraw/zinc/49/77/20/567497720.db2.gz HNTFOQVZECUWCV-QGZVFWFLSA-N -1 3 383.901 3.089 20 0 GGADHM Cn1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000643204309 567498338 /nfs/dbraw/zinc/49/83/38/567498338.db2.gz QDXOPCAZKOZWSB-UHFFFAOYSA-N -1 3 375.397 3.132 20 0 GGADHM CCn1nccc1C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529209844 567498310 /nfs/dbraw/zinc/49/83/10/567498310.db2.gz FHWRHHMTCFZCQV-UHFFFAOYSA-N -1 3 378.270 3.391 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000643212007 567498746 /nfs/dbraw/zinc/49/87/46/567498746.db2.gz NPNFANVTGKGOOK-UHFFFAOYSA-N -1 3 388.823 3.347 20 0 GGADHM CC(C)OC1CCC([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000643210539 567498778 /nfs/dbraw/zinc/49/87/78/567498778.db2.gz GLYHPAKQRUJLLM-UHFFFAOYSA-N -1 3 381.416 3.442 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccncc1 ZINC000643209067 567499456 /nfs/dbraw/zinc/49/94/56/567499456.db2.gz AMCKASWIICFFME-SNVBAGLBSA-N -1 3 376.812 3.418 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)s1 ZINC000643209711 567499803 /nfs/dbraw/zinc/49/98/03/567499803.db2.gz VHBJVWGLVKAIPL-JTQLQIEISA-N -1 3 399.843 3.475 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)c(C)c2)c(F)c1 ZINC000643212153 567499848 /nfs/dbraw/zinc/49/98/48/567499848.db2.gz SGNFZAZMJYDOIC-UHFFFAOYSA-N -1 3 384.860 3.267 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1sccc1Cl ZINC000503688553 567500798 /nfs/dbraw/zinc/50/07/98/567500798.db2.gz NKHPXJNJQHJTPZ-UHFFFAOYSA-N -1 3 398.815 3.494 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000620164855 567502766 /nfs/dbraw/zinc/50/27/66/567502766.db2.gz HSQWQUJLYPPPMV-GJZGRUSLSA-N -1 3 384.567 3.234 20 0 GGADHM C[C@@H]1CCCC[C@H]1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000620164854 567502906 /nfs/dbraw/zinc/50/29/06/567502906.db2.gz HSQWQUJLYPPPMV-CABCVRRESA-N -1 3 384.567 3.234 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccncc2)C1)c1ccc(C(F)(F)F)s1 ZINC000570669191 567503816 /nfs/dbraw/zinc/50/38/16/567503816.db2.gz CUQKQGGSIXQZAM-RYUDHWBXSA-N -1 3 392.424 3.361 20 0 GGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c1 ZINC000594722272 567503943 /nfs/dbraw/zinc/50/39/43/567503943.db2.gz HMSPSZPYNUINQT-UHFFFAOYSA-N -1 3 386.832 3.301 20 0 GGADHM O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)NCCF ZINC000437696947 567504588 /nfs/dbraw/zinc/50/45/88/567504588.db2.gz WEXVUEOYUZBYKV-UHFFFAOYSA-N -1 3 377.466 3.383 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccco1 ZINC000503769170 567504769 /nfs/dbraw/zinc/50/47/69/567504769.db2.gz DIZFTQIPKZELSI-CQSZACIVSA-N -1 3 378.475 3.459 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1cc(F)cc2nn[n-]c21 ZINC000503758078 567504882 /nfs/dbraw/zinc/50/48/82/567504882.db2.gz QDHYEDVRAIPYIP-UHFFFAOYSA-N -1 3 397.635 3.485 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1cc(F)cc2[n-]nnc21 ZINC000503758078 567504887 /nfs/dbraw/zinc/50/48/87/567504887.db2.gz QDHYEDVRAIPYIP-UHFFFAOYSA-N -1 3 397.635 3.485 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1cc(F)cc2n[n-]nc21 ZINC000503758078 567504892 /nfs/dbraw/zinc/50/48/92/567504892.db2.gz QDHYEDVRAIPYIP-UHFFFAOYSA-N -1 3 397.635 3.485 20 0 GGADHM O=C([O-])C1(NCc2ncc(Br)cc2Br)CCCC1 ZINC000551420677 567504959 /nfs/dbraw/zinc/50/49/59/567504959.db2.gz KVFZOBYLCIDQBQ-UHFFFAOYSA-N -1 3 378.064 3.094 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000551433161 567506039 /nfs/dbraw/zinc/50/60/39/567506039.db2.gz JMNBESRDLKEUJP-KBPBESRZSA-N -1 3 378.885 3.363 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)Oc1cccc(Cl)c1 ZINC000503815044 567506239 /nfs/dbraw/zinc/50/62/39/567506239.db2.gz KVIFDBXEWPUHJZ-CQSZACIVSA-N -1 3 383.901 3.009 20 0 GGADHM Fc1ccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)nc1 ZINC000551435680 567506413 /nfs/dbraw/zinc/50/64/13/567506413.db2.gz RDLKAWDRDSBVOP-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM Fc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)nc1 ZINC000551435680 567506419 /nfs/dbraw/zinc/50/64/19/567506419.db2.gz RDLKAWDRDSBVOP-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM Fc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)nc1 ZINC000551435680 567506424 /nfs/dbraw/zinc/50/64/24/567506424.db2.gz RDLKAWDRDSBVOP-UHFFFAOYSA-N -1 3 387.172 3.485 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000551433162 567506469 /nfs/dbraw/zinc/50/64/69/567506469.db2.gz JMNBESRDLKEUJP-KGLIPLIRSA-N -1 3 378.885 3.363 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccco1 ZINC000503808637 567506861 /nfs/dbraw/zinc/50/68/61/567506861.db2.gz DLSGDSSJOJQLKC-SECBINFHSA-N -1 3 380.285 3.160 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC000503801777 567507076 /nfs/dbraw/zinc/50/70/76/567507076.db2.gz WBGPGFRVXAEOPD-GFCCVEGCSA-N -1 3 375.416 3.392 20 0 GGADHM Cc1ncncc1-c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000551437181 567507121 /nfs/dbraw/zinc/50/71/21/567507121.db2.gz JTBGPHFQEGKNIC-UHFFFAOYSA-N -1 3 384.197 3.050 20 0 GGADHM Cc1ncncc1-c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000551437181 567507127 /nfs/dbraw/zinc/50/71/27/567507127.db2.gz JTBGPHFQEGKNIC-UHFFFAOYSA-N -1 3 384.197 3.050 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)c(F)c1 ZINC000479139601 567507084 /nfs/dbraw/zinc/50/70/84/567507084.db2.gz JXEJOTVWYLOCAW-UHFFFAOYSA-N -1 3 377.315 3.255 20 0 GGADHM Cc1ncncc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551437181 567507134 /nfs/dbraw/zinc/50/71/34/567507134.db2.gz JTBGPHFQEGKNIC-UHFFFAOYSA-N -1 3 384.197 3.050 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(Cl)cc1F)c1ccc(Cl)s1 ZINC000437772715 567508171 /nfs/dbraw/zinc/50/81/71/567508171.db2.gz JQYASSUGIRDHJU-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000503841626 567508243 /nfs/dbraw/zinc/50/82/43/567508243.db2.gz BQZBLOCUWNHQSU-UHFFFAOYSA-N -1 3 381.416 3.284 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccco1 ZINC000503835076 567508469 /nfs/dbraw/zinc/50/84/69/567508469.db2.gz YCCIGPLUSUCOHT-LBPRGKRZSA-N -1 3 381.347 3.494 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccco1 ZINC000503856967 567509246 /nfs/dbraw/zinc/50/92/46/567509246.db2.gz PXWRXNOTQBEICZ-LBPRGKRZSA-N -1 3 392.246 3.237 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccco1 ZINC000503856966 567509641 /nfs/dbraw/zinc/50/96/41/567509641.db2.gz PXWRXNOTQBEICZ-GFCCVEGCSA-N -1 3 392.246 3.237 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(C)c1Br)c1ccco1 ZINC000503856317 567510122 /nfs/dbraw/zinc/51/01/22/567510122.db2.gz PEJHKWNVRINAFF-LBPRGKRZSA-N -1 3 388.283 3.407 20 0 GGADHM Cn1ccc(S(=O)(=O)[N-]c2c(Cl)cc(Br)cc2Cl)n1 ZINC000479150813 567510393 /nfs/dbraw/zinc/51/03/93/567510393.db2.gz CENIDVAJIPCCAM-UHFFFAOYSA-N -1 3 385.070 3.290 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1 ZINC000479153064 567510453 /nfs/dbraw/zinc/51/04/53/567510453.db2.gz SIHJDUHTSHRTHL-HNNXBMFYSA-N -1 3 381.416 3.111 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1OCC ZINC000479165835 567511012 /nfs/dbraw/zinc/51/10/12/567511012.db2.gz XOFCRUTXRBETOF-OAHLLOKOSA-N -1 3 381.416 3.493 20 0 GGADHM CC(C)c1cccc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000479178279 567512677 /nfs/dbraw/zinc/51/26/77/567512677.db2.gz AYAWJWWKYGUKIO-UHFFFAOYSA-N -1 3 386.926 3.120 20 0 GGADHM Cc1cc(CNC(=O)c2cc([O-])cc(Br)c2)cc(N2CCCC2)n1 ZINC000529403612 567512819 /nfs/dbraw/zinc/51/28/19/567512819.db2.gz RRQNJIMPGGVFSN-UHFFFAOYSA-N -1 3 390.281 3.388 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000529405859 567513047 /nfs/dbraw/zinc/51/30/47/567513047.db2.gz XSSDPWGBCRGXIQ-MRXNPFEDSA-N -1 3 387.277 3.432 20 0 GGADHM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc([O-])cc(Br)c1 ZINC000529401859 567513120 /nfs/dbraw/zinc/51/31/20/567513120.db2.gz GRPTUBXBJIFHAA-SJLPKXTDSA-N -1 3 376.250 3.051 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000620336776 567513668 /nfs/dbraw/zinc/51/36/68/567513668.db2.gz BKTSNQHBGTXBOC-OAHLLOKOSA-N -1 3 380.535 3.162 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000620337517 567513685 /nfs/dbraw/zinc/51/36/85/567513685.db2.gz FUTDNLOEEYPVTI-BBRMVZONSA-N -1 3 378.519 3.025 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000620336775 567513974 /nfs/dbraw/zinc/51/39/74/567513974.db2.gz BKTSNQHBGTXBOC-HNNXBMFYSA-N -1 3 380.535 3.162 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(CO)(c2ccccc2)CC1 ZINC000529421729 567514235 /nfs/dbraw/zinc/51/42/35/567514235.db2.gz FEFQQUZQABHZLW-UHFFFAOYSA-N -1 3 390.277 3.321 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000479205067 567514916 /nfs/dbraw/zinc/51/49/16/567514916.db2.gz CYYDBGCZELEBHP-AWEZNQCLSA-N -1 3 389.807 3.201 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)s1 ZINC000479218390 567515877 /nfs/dbraw/zinc/51/58/77/567515877.db2.gz FOGMVPONNWDSMH-QMMMGPOBSA-N -1 3 377.846 3.367 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)CCC(F)(F)F)c(-c2ccccc2)s1 ZINC000551552904 567515851 /nfs/dbraw/zinc/51/58/51/567515851.db2.gz XHORCNMJFOWZML-UHFFFAOYSA-N -1 3 394.440 3.328 20 0 GGADHM CSCC1(CC[N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000594815748 567516260 /nfs/dbraw/zinc/51/62/60/567516260.db2.gz HJFNGOQTWMGPQS-UHFFFAOYSA-N -1 3 382.320 3.400 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC1(CSC)CC1 ZINC000594816667 567516839 /nfs/dbraw/zinc/51/68/39/567516839.db2.gz ZKLWOPWNAHNYMJ-UHFFFAOYSA-N -1 3 399.559 3.500 20 0 GGADHM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc([O-])cc(Br)c1 ZINC000529459031 567517656 /nfs/dbraw/zinc/51/76/56/567517656.db2.gz KOGJFUKSEDXMEF-GDBMZVCRSA-N -1 3 377.238 3.200 20 0 GGADHM CCOc1cccc(CN(CCO)C(=O)c2cc([O-])cc(Br)c2)c1 ZINC000529474026 567519054 /nfs/dbraw/zinc/51/90/54/567519054.db2.gz TWXQUVJOYQZCBO-UHFFFAOYSA-N -1 3 394.265 3.188 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc([S@@](C)=O)cc1 ZINC000551565209 567519459 /nfs/dbraw/zinc/51/94/59/567519459.db2.gz ROHWBQWBASRZQY-MLMJSJRWSA-N -1 3 375.874 3.256 20 0 GGADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479264655 567519958 /nfs/dbraw/zinc/51/99/58/567519958.db2.gz WJJPUXSMSLUDAP-UHFFFAOYSA-N -1 3 382.825 3.136 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)c[nH]1 ZINC000479291409 567521577 /nfs/dbraw/zinc/52/15/77/567521577.db2.gz XCOAIHIIJGRLCE-UHFFFAOYSA-N -1 3 385.854 3.174 20 0 GGADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1nc(C(F)(F)F)no1 ZINC000529502301 567522624 /nfs/dbraw/zinc/52/26/24/567522624.db2.gz QKKSDKXHRUPYOS-RXMQYKEDSA-N -1 3 380.120 3.048 20 0 GGADHM CC(C)CC[C@@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000438168604 567522635 /nfs/dbraw/zinc/52/26/35/567522635.db2.gz ULJFPQTVWHXATC-HNNXBMFYSA-N -1 3 387.571 3.027 20 0 GGADHM COCCN(Cc1cc(Br)cs1)C(=O)c1cccc2[n-]nnc21 ZINC000570901800 567522634 /nfs/dbraw/zinc/52/26/34/567522634.db2.gz DVTULIDGCLKMGY-UHFFFAOYSA-N -1 3 395.282 3.071 20 0 GGADHM COCCN(Cc1cc(Br)cs1)C(=O)c1cccc2nn[n-]c21 ZINC000570901800 567522640 /nfs/dbraw/zinc/52/26/40/567522640.db2.gz DVTULIDGCLKMGY-UHFFFAOYSA-N -1 3 395.282 3.071 20 0 GGADHM COCCN(Cc1cc(Br)cs1)C(=O)c1cccc2n[n-]nc21 ZINC000570901800 567522648 /nfs/dbraw/zinc/52/26/48/567522648.db2.gz DVTULIDGCLKMGY-UHFFFAOYSA-N -1 3 395.282 3.071 20 0 GGADHM O=S(=O)([N-]C1CCN(c2ncc(Cl)cc2Cl)CC1)c1cccs1 ZINC000643883163 567522835 /nfs/dbraw/zinc/52/28/35/567522835.db2.gz RGHIWCYYYGLHHU-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000458118691 567523444 /nfs/dbraw/zinc/52/34/44/567523444.db2.gz VEDDVPFTKGAPMR-WMLDXEAASA-N -1 3 398.575 3.453 20 0 GGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000438232211 567524206 /nfs/dbraw/zinc/52/42/06/567524206.db2.gz FQJKJBDEMJIIAF-UHFFFAOYSA-N -1 3 383.311 3.354 20 0 GGADHM CCSc1cccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000504160612 567524765 /nfs/dbraw/zinc/52/47/65/567524765.db2.gz AVQITHOSOZQCED-UHFFFAOYSA-N -1 3 382.482 3.245 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000458136170 567524896 /nfs/dbraw/zinc/52/48/96/567524896.db2.gz QILQDQVMQXYGLP-ZFWWWQNUSA-N -1 3 378.416 3.241 20 0 GGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570940549 567525746 /nfs/dbraw/zinc/52/57/46/567525746.db2.gz UOZNNOBQELTDLC-UHFFFAOYSA-N -1 3 376.254 3.137 20 0 GGADHM CCC(CC)CNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438337786 567526457 /nfs/dbraw/zinc/52/64/57/567526457.db2.gz HTLKHLZAIBEBJL-UHFFFAOYSA-N -1 3 381.420 3.085 20 0 GGADHM CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438339887 567526602 /nfs/dbraw/zinc/52/66/02/567526602.db2.gz UULCBKMBGWZRBC-UHFFFAOYSA-N -1 3 381.420 3.227 20 0 GGADHM CCCCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438355157 567526629 /nfs/dbraw/zinc/52/66/29/567526629.db2.gz RKSDJDKJMIJJNR-UHFFFAOYSA-N -1 3 381.420 3.181 20 0 GGADHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2cc(Br)cs2)no1 ZINC000570976457 567527352 /nfs/dbraw/zinc/52/73/52/567527352.db2.gz YMFDUDBCQIDWES-UHFFFAOYSA-N -1 3 388.287 3.493 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000479366699 567527790 /nfs/dbraw/zinc/52/77/90/567527790.db2.gz SXCHWPZBIDSABC-LLVKDONJSA-N -1 3 389.905 3.110 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000504265696 567528755 /nfs/dbraw/zinc/52/87/55/567528755.db2.gz OYPAKKVZFDLJPS-SNVBAGLBSA-N -1 3 395.893 3.255 20 0 GGADHM COc1ccc(Br)c(Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000571018421 567529730 /nfs/dbraw/zinc/52/97/30/567529730.db2.gz PLNRUZGQOPSQRC-UHFFFAOYSA-N -1 3 386.209 3.370 20 0 GGADHM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000571010287 567530624 /nfs/dbraw/zinc/53/06/24/567530624.db2.gz YVRGDYSNOPXUPW-CYBMUJFWSA-N -1 3 394.534 3.177 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000479408196 567533283 /nfs/dbraw/zinc/53/32/83/567533283.db2.gz MZRXDCXARAXMGF-BXUZGUMPSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000479431255 567534444 /nfs/dbraw/zinc/53/44/44/567534444.db2.gz YIGMESLWRWWWOW-ZJUUUORDSA-N -1 3 382.345 3.383 20 0 GGADHM COc1ccc(CNCCc2nn(C)c3ccccc23)c(Br)c1[O-] ZINC000479429071 567534467 /nfs/dbraw/zinc/53/44/67/567534467.db2.gz YYZDEWXQRWJIOY-UHFFFAOYSA-N -1 3 390.281 3.382 20 0 GGADHM COC(=O)c1cccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000504468220 567535580 /nfs/dbraw/zinc/53/55/80/567535580.db2.gz UWKNLUGGXWVQNP-UHFFFAOYSA-N -1 3 377.169 3.278 20 0 GGADHM CCc1nc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)sc1C(C)(C)C ZINC000458268012 567535641 /nfs/dbraw/zinc/53/56/41/567535641.db2.gz FLPQUPYPTNMXSV-UHFFFAOYSA-N -1 3 382.511 3.022 20 0 GGADHM COCCOCCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000504495220 567536914 /nfs/dbraw/zinc/53/69/14/567536914.db2.gz YXPIVAHPASJJMN-UHFFFAOYSA-N -1 3 389.823 3.080 20 0 GGADHM C[C@@H](O)COc1cccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000504488346 567537177 /nfs/dbraw/zinc/53/71/77/567537177.db2.gz MBMMDMSNAWLPDV-SECBINFHSA-N -1 3 393.212 3.251 20 0 GGADHM C[C@H](O)COc1cccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000504488348 567537197 /nfs/dbraw/zinc/53/71/97/567537197.db2.gz MBMMDMSNAWLPDV-VIFPVBQESA-N -1 3 393.212 3.251 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000479457611 567537921 /nfs/dbraw/zinc/53/79/21/567537921.db2.gz OOIYTDIQRXPVPR-FZMZJTMJSA-N -1 3 394.306 3.460 20 0 GGADHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000504540533 567538648 /nfs/dbraw/zinc/53/86/48/567538648.db2.gz WUNQCEGINRRWBM-LBPRGKRZSA-N -1 3 386.926 3.215 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccncc1 ZINC000644189272 567539743 /nfs/dbraw/zinc/53/97/43/567539743.db2.gz NKZNJHDFWCUXCP-SNVBAGLBSA-N -1 3 378.347 3.201 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000551829939 567539839 /nfs/dbraw/zinc/53/98/39/567539839.db2.gz XGJPXBWFZUOWLV-UHFFFAOYSA-N -1 3 379.243 3.184 20 0 GGADHM O=S(=O)([N-]c1c(F)cc(Br)cc1F)c1c[nH]c2ncccc12 ZINC000438754608 567541919 /nfs/dbraw/zinc/54/19/19/567541919.db2.gz CYCPQHJHOCFSMN-UHFFFAOYSA-N -1 3 388.193 3.404 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)c(C)o1 ZINC000479520052 567542069 /nfs/dbraw/zinc/54/20/69/567542069.db2.gz VZIDGACWLXWIFA-UHFFFAOYSA-N -1 3 383.853 3.038 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Br)c2F)C[C@H](C)O1 ZINC000571181695 567544102 /nfs/dbraw/zinc/54/41/02/567544102.db2.gz VSQWKKJLAULUND-ZSBIGDGJSA-N -1 3 394.306 3.460 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)c1 ZINC000479557119 567544990 /nfs/dbraw/zinc/54/49/90/567544990.db2.gz NGXAFUYJVHIGTA-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cc(F)ccc1OC(F)F ZINC000571192734 567544999 /nfs/dbraw/zinc/54/49/99/567544999.db2.gz UDTAFEOTCJMQAH-NSHDSACASA-N -1 3 379.400 3.055 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Cl)cc(Cl)c1 ZINC000644279202 567546338 /nfs/dbraw/zinc/54/63/38/567546338.db2.gz QPTFPYNGLJTXJL-MWLCHTKSSA-N -1 3 378.199 3.118 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Cl)cc(Cl)c1 ZINC000644279201 567546853 /nfs/dbraw/zinc/54/68/53/567546853.db2.gz QPTFPYNGLJTXJL-KOLCDFICSA-N -1 3 378.199 3.118 20 0 GGADHM CCCCN(CCCC)S(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000644290085 567547719 /nfs/dbraw/zinc/54/77/19/567547719.db2.gz MVMIMYKPKLPUBG-UHFFFAOYSA-N -1 3 380.461 3.123 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000551986064 567548012 /nfs/dbraw/zinc/54/80/12/567548012.db2.gz WOUAXXIKZAKRGU-DZGCQCFKSA-N -1 3 387.929 3.470 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)s1 ZINC000644342282 567548892 /nfs/dbraw/zinc/54/88/92/567548892.db2.gz QRHBKIHEBPHMKP-NSHDSACASA-N -1 3 384.498 3.298 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000438890644 567551840 /nfs/dbraw/zinc/55/18/40/567551840.db2.gz PDUXPSAVVLMCOY-HNNXBMFYSA-N -1 3 381.906 3.437 20 0 GGADHM COc1ccc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)c(Br)c1[O-] ZINC000644427790 567551898 /nfs/dbraw/zinc/55/18/98/567551898.db2.gz VAEKCQMFYYNQKU-NOZJJQNGSA-N -1 3 384.192 3.099 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1 ZINC000438892861 567552166 /nfs/dbraw/zinc/55/21/66/567552166.db2.gz BCKPFDUIYOVZOQ-HNNXBMFYSA-N -1 3 379.865 3.277 20 0 GGADHM COc1ccc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)c(Br)c1[O-] ZINC000644427796 567552632 /nfs/dbraw/zinc/55/26/32/567552632.db2.gz VAEKCQMFYYNQKU-ZANVPECISA-N -1 3 384.192 3.099 20 0 GGADHM CO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000458547031 567553143 /nfs/dbraw/zinc/55/31/43/567553143.db2.gz HZLXCUVSAICCRG-LSDHHAIUSA-N -1 3 383.286 3.254 20 0 GGADHM CO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000458547030 567553714 /nfs/dbraw/zinc/55/37/14/567553714.db2.gz HZLXCUVSAICCRG-HUUCEWRRSA-N -1 3 383.286 3.254 20 0 GGADHM COc1cccc2c1C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000458552582 567553735 /nfs/dbraw/zinc/55/37/35/567553735.db2.gz NCRCPRXWQCROCA-CYBMUJFWSA-N -1 3 391.265 3.130 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(Br)cc1F ZINC000479710824 567554100 /nfs/dbraw/zinc/55/41/00/567554100.db2.gz IBOWABHBBFKGEL-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(Br)cc1F ZINC000479710824 567554103 /nfs/dbraw/zinc/55/41/03/567554103.db2.gz IBOWABHBBFKGEL-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Br)cc1F ZINC000479710824 567554107 /nfs/dbraw/zinc/55/41/07/567554107.db2.gz IBOWABHBBFKGEL-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cc(Cl)cc(Br)c1F ZINC000552070512 567554250 /nfs/dbraw/zinc/55/42/50/567554250.db2.gz TWPXYNATYANQGF-UHFFFAOYSA-N -1 3 397.429 3.401 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000504964751 567554563 /nfs/dbraw/zinc/55/45/63/567554563.db2.gz CKONMWIFTGTNQY-CYBMUJFWSA-N -1 3 398.937 3.004 20 0 GGADHM O=C(NCc1nc2cc(Br)ccc2o1)c1c[n-]c2ccccc2c1=O ZINC000552079981 567555936 /nfs/dbraw/zinc/55/59/36/567555936.db2.gz RPXSRTMWGURGEQ-UHFFFAOYSA-N -1 3 398.216 3.362 20 0 GGADHM CN(C[C@@H]1CC1(C)C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000621051496 567556856 /nfs/dbraw/zinc/55/68/56/567556856.db2.gz BVFZTWCGSGKXJC-LBPRGKRZSA-N -1 3 398.575 3.406 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nccs1 ZINC000552088911 567557168 /nfs/dbraw/zinc/55/71/68/567557168.db2.gz WGZVLIPAUKVFEE-SECBINFHSA-N -1 3 380.322 3.079 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cn1C ZINC000438952674 567557400 /nfs/dbraw/zinc/55/74/00/567557400.db2.gz YKNXGHBYLBSNFL-OAHLLOKOSA-N -1 3 375.416 3.423 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505122517 567559966 /nfs/dbraw/zinc/55/99/66/567559966.db2.gz BHMYKLFAIDYSTC-UHFFFAOYSA-N -1 3 399.346 3.053 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000505121293 567560001 /nfs/dbraw/zinc/56/00/01/567560001.db2.gz UZPHFDWSGHTPTO-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM NS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SCC(F)(F)F)s1 ZINC000621107186 567560022 /nfs/dbraw/zinc/56/00/22/567560022.db2.gz HIJAJNOQBFHVAB-UHFFFAOYSA-N -1 3 396.437 3.302 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000505121293 567560008 /nfs/dbraw/zinc/56/00/08/567560008.db2.gz UZPHFDWSGHTPTO-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N=c1[nH][n-]cc1Br ZINC000571412175 567560281 /nfs/dbraw/zinc/56/02/81/567560281.db2.gz ZAHOLMBOOSSUBA-UHFFFAOYSA-N -1 3 395.257 3.341 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](OC)C1CCCCC1 ZINC000595378285 567561067 /nfs/dbraw/zinc/56/10/67/567561067.db2.gz YWPSEHOQUYSXNE-AWEZNQCLSA-N -1 3 389.901 3.000 20 0 GGADHM Cn1c(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)nc2cccnc21 ZINC000505135536 567561174 /nfs/dbraw/zinc/56/11/74/567561174.db2.gz NKTINWIHJOGVSX-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM Cn1c(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)nc2cccnc21 ZINC000505135536 567561178 /nfs/dbraw/zinc/56/11/78/567561178.db2.gz NKTINWIHJOGVSX-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM CCc1ccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000505122793 567561284 /nfs/dbraw/zinc/56/12/84/567561284.db2.gz DLFZIXVINMMNKG-LLVKDONJSA-N -1 3 386.926 3.120 20 0 GGADHM O=C(NCCOc1ccc(Cl)c(Cl)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458663224 567563082 /nfs/dbraw/zinc/56/30/82/567563082.db2.gz RDEAMSHSWITNNR-UHFFFAOYSA-N -1 3 398.172 3.009 20 0 GGADHM O=C(NCCOc1ccc(Cl)c(Cl)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458663224 567563087 /nfs/dbraw/zinc/56/30/87/567563087.db2.gz RDEAMSHSWITNNR-UHFFFAOYSA-N -1 3 398.172 3.009 20 0 GGADHM O=C(NCCOc1ccc(Cl)c(Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458663224 567563090 /nfs/dbraw/zinc/56/30/90/567563090.db2.gz RDEAMSHSWITNNR-UHFFFAOYSA-N -1 3 398.172 3.009 20 0 GGADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2cccc(Br)c2)C1 ZINC000621149241 567563501 /nfs/dbraw/zinc/56/35/01/567563501.db2.gz XUHNWJANSWHXEQ-UHFFFAOYSA-N -1 3 381.295 3.238 20 0 GGADHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000571495505 567565916 /nfs/dbraw/zinc/56/59/16/567565916.db2.gz GFACWCYXFXNVPE-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM O=C(COCc1cccnc1)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000505267635 567567046 /nfs/dbraw/zinc/56/70/46/567567046.db2.gz ZUGSXBSTPYDRRS-UHFFFAOYSA-N -1 3 378.219 3.329 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(I)cc2)n1 ZINC000595520154 567569543 /nfs/dbraw/zinc/56/95/43/567569543.db2.gz NGFPFHZGIKMGPV-UHFFFAOYSA-N -1 3 383.233 3.120 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)c1cncs1 ZINC000439196249 567570063 /nfs/dbraw/zinc/57/00/63/567570063.db2.gz FOVKWYYCMKHSIA-ZETCQYMHSA-N -1 3 395.275 3.093 20 0 GGADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1(CO)CCC1 ZINC000664470750 567571003 /nfs/dbraw/zinc/57/10/03/567571003.db2.gz GRYIWIDDVPYSGB-OAHLLOKOSA-N -1 3 385.302 3.141 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CSc2ccc(C)cc2C)ccc1F ZINC000552261861 567571843 /nfs/dbraw/zinc/57/18/43/567571843.db2.gz SUQBEQVPNLVWGA-UHFFFAOYSA-N -1 3 382.482 3.081 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(N(C)C)ccc1Br)c1cncs1 ZINC000439202586 567572015 /nfs/dbraw/zinc/57/20/15/567572015.db2.gz UOBYYAXJMLDXBD-VIFPVBQESA-N -1 3 390.328 3.011 20 0 GGADHM O=C1CN(Cc2cc([O-])ccc2Br)CCN1Cc1cccc(F)c1 ZINC000552278033 567573177 /nfs/dbraw/zinc/57/31/77/567573177.db2.gz ROTJLZGEFQPDLB-UHFFFAOYSA-N -1 3 393.256 3.138 20 0 GGADHM C[C@@H]1CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000552295010 567574320 /nfs/dbraw/zinc/57/43/20/567574320.db2.gz OGEMRXNEKOEUEU-VXGBXAGGSA-N -1 3 393.336 3.214 20 0 GGADHM CC1(C)CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000552299904 567575033 /nfs/dbraw/zinc/57/50/33/567575033.db2.gz LKHQRFBHVLXPKT-NSHDSACASA-N -1 3 393.336 3.214 20 0 GGADHM O=C(COC1CCCC1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439249745 567575789 /nfs/dbraw/zinc/57/57/89/567575789.db2.gz SPKDFHWEMKZTSS-UHFFFAOYSA-N -1 3 383.221 3.271 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCc1nc2cc(Br)ccc2o1 ZINC000505473621 567578091 /nfs/dbraw/zinc/57/80/91/567578091.db2.gz JOVHMVAAEBFVII-UHFFFAOYSA-N -1 3 399.270 3.216 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000480070748 567579307 /nfs/dbraw/zinc/57/93/07/567579307.db2.gz NXRBLHHAIRXHKE-UHFFFAOYSA-N -1 3 381.194 3.349 20 0 GGADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000571677092 567580891 /nfs/dbraw/zinc/58/08/91/567580891.db2.gz KAHMUPRRELRBAP-RFAUZJTJSA-N -1 3 386.242 3.389 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCCO1 ZINC000571677683 567581171 /nfs/dbraw/zinc/58/11/71/567581171.db2.gz AGGQKTSYDDDXAP-MRXNPFEDSA-N -1 3 393.281 3.178 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)c(F)c1 ZINC000621350970 567581300 /nfs/dbraw/zinc/58/13/00/567581300.db2.gz SYHHMXXHCYGXLN-UHFFFAOYSA-N -1 3 384.860 3.349 20 0 GGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ncccc1Br ZINC000480119212 567581637 /nfs/dbraw/zinc/58/16/37/567581637.db2.gz XMBMYDHOSNQAHP-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ncccc1Br ZINC000480119212 567581645 /nfs/dbraw/zinc/58/16/45/567581645.db2.gz XMBMYDHOSNQAHP-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000505527559 567582474 /nfs/dbraw/zinc/58/24/74/567582474.db2.gz KWJITXALMOVQOR-UHFFFAOYSA-N -1 3 397.294 3.487 20 0 GGADHM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000595847900 567587211 /nfs/dbraw/zinc/58/72/11/567587211.db2.gz IREHCLQFCUZMOR-RHSMWYFYSA-N -1 3 399.285 3.076 20 0 GGADHM Cc1ccn(C)c1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000439462004 567588178 /nfs/dbraw/zinc/58/81/78/567588178.db2.gz KYRWFDQWADZPDX-UHFFFAOYSA-N -1 3 377.217 3.299 20 0 GGADHM COc1ccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c([O-])c1 ZINC000552415671 567588416 /nfs/dbraw/zinc/58/84/16/567588416.db2.gz CXUDJILNRGFLRK-INIZCTEOSA-N -1 3 377.238 3.439 20 0 GGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000505635757 567589050 /nfs/dbraw/zinc/58/90/50/567589050.db2.gz OLJJTTBCFCNIPZ-NWDGAFQWSA-N -1 3 378.947 3.011 20 0 GGADHM O=S(=O)(CCCNCc1c(F)ccc([O-])c1F)c1ccc(Cl)cc1 ZINC000552423966 567589124 /nfs/dbraw/zinc/58/91/24/567589124.db2.gz BSQQVPRFYRPNFV-UHFFFAOYSA-N -1 3 375.824 3.277 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000571805600 567591181 /nfs/dbraw/zinc/59/11/81/567591181.db2.gz BOWVZCCWUDSFGS-VIFPVBQESA-N -1 3 389.882 3.309 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000571805598 567591324 /nfs/dbraw/zinc/59/13/24/567591324.db2.gz BOWVZCCWUDSFGS-SECBINFHSA-N -1 3 389.882 3.309 20 0 GGADHM CCN(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CCCC1 ZINC000552448593 567591314 /nfs/dbraw/zinc/59/13/14/567591314.db2.gz PCDZYCNHXRMYGK-UHFFFAOYSA-N -1 3 378.416 3.482 20 0 GGADHM Cc1cc(C(=O)N2CCN(c3cccc(Br)c3)CC2)ccc1[O-] ZINC000552440336 567591418 /nfs/dbraw/zinc/59/14/18/567591418.db2.gz YFHNPKVENVQTGT-UHFFFAOYSA-N -1 3 375.266 3.426 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1(c2ccccc2)CCCC1 ZINC000505667804 567591903 /nfs/dbraw/zinc/59/19/03/567591903.db2.gz BFWCFBBOZMQHTF-UHFFFAOYSA-N -1 3 398.937 3.266 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000571834881 567592241 /nfs/dbraw/zinc/59/22/41/567592241.db2.gz RUMBMMBFOHAXHQ-UHFFFAOYSA-N -1 3 376.887 3.199 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000552474711 567592782 /nfs/dbraw/zinc/59/27/82/567592782.db2.gz WKPNQAADRDLTOV-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM Cc1ccc([O-])c(NC(=O)c2cc(Br)cnc2OCC2CC2)n1 ZINC000552541997 567596499 /nfs/dbraw/zinc/59/64/99/567596499.db2.gz SZPDMQDKSUAKBG-UHFFFAOYSA-N -1 3 378.226 3.294 20 0 GGADHM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000530374564 567596455 /nfs/dbraw/zinc/59/64/55/567596455.db2.gz NJHWWTMDBVHVSD-BXUZGUMPSA-N -1 3 385.532 3.160 20 0 GGADHM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000530374569 567596489 /nfs/dbraw/zinc/59/64/89/567596489.db2.gz NJHWWTMDBVHVSD-FZMZJTMJSA-N -1 3 385.532 3.160 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c(F)c1 ZINC000530372537 567597016 /nfs/dbraw/zinc/59/70/16/567597016.db2.gz QSARECXNZROTEL-CQSZACIVSA-N -1 3 381.450 3.128 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc(F)cc1Br ZINC000480338187 567597206 /nfs/dbraw/zinc/59/72/06/567597206.db2.gz SWHMPYUKXVZLBH-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc(F)cc1Br ZINC000480338187 567597211 /nfs/dbraw/zinc/59/72/11/567597211.db2.gz SWHMPYUKXVZLBH-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(F)cc1Br ZINC000480338187 567597214 /nfs/dbraw/zinc/59/72/14/567597214.db2.gz SWHMPYUKXVZLBH-UHFFFAOYSA-N -1 3 382.115 3.047 20 0 GGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530385389 567598000 /nfs/dbraw/zinc/59/80/00/567598000.db2.gz BNLFENFULONWQS-LBPRGKRZSA-N -1 3 378.252 3.453 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(N)=O)c2ccccc2)c1Cl ZINC000571942736 567600535 /nfs/dbraw/zinc/60/05/35/567600535.db2.gz KECXVQHCTRCDPF-ZDUSSCGKSA-N -1 3 387.288 3.197 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)c1Cl ZINC000480399254 567600905 /nfs/dbraw/zinc/60/09/05/567600905.db2.gz XVLMMXCSRMPMOB-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000645079075 567603491 /nfs/dbraw/zinc/60/34/91/567603491.db2.gz LCFKANBHRFTDKW-SNVBAGLBSA-N -1 3 383.407 3.258 20 0 GGADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000530474208 567604128 /nfs/dbraw/zinc/60/41/28/567604128.db2.gz CIGQMIYJDWWKSI-NXEZZACHSA-N -1 3 394.244 3.344 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000480434864 567604732 /nfs/dbraw/zinc/60/47/32/567604732.db2.gz IXTICRQPUXRMEF-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM COc1cc(OC)c(NC(=O)c2cc(F)cc3[n-]nnc32)cc1Br ZINC000505978584 567605637 /nfs/dbraw/zinc/60/56/37/567605637.db2.gz FJSSMRNJDHXEJT-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM COc1cc(OC)c(NC(=O)c2cc(F)cc3nn[n-]c32)cc1Br ZINC000505978584 567605642 /nfs/dbraw/zinc/60/56/42/567605642.db2.gz FJSSMRNJDHXEJT-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM COc1cc(OC)c(NC(=O)c2cc(F)cc3n[n-]nc32)cc1Br ZINC000505978584 567605647 /nfs/dbraw/zinc/60/56/47/567605647.db2.gz FJSSMRNJDHXEJT-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)s1 ZINC000645094522 567605730 /nfs/dbraw/zinc/60/57/30/567605730.db2.gz KGDVRZHSBAUTMQ-CYBMUJFWSA-N -1 3 380.535 3.467 20 0 GGADHM O=S(=O)([N-][C@H]1CCSC1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000530480562 567605798 /nfs/dbraw/zinc/60/57/98/567605798.db2.gz RBQYHDRBDBOBMS-UONOGXRCSA-N -1 3 391.942 3.072 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccc(Cl)cc2)ccc1F ZINC000552729426 567606038 /nfs/dbraw/zinc/60/60/38/567606038.db2.gz QOPZHVBXQLRSKC-UHFFFAOYSA-N -1 3 384.860 3.304 20 0 GGADHM Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000480445537 567606209 /nfs/dbraw/zinc/60/62/09/567606209.db2.gz JBSSWEJDRKUBJP-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F ZINC000480740226 567626241 /nfs/dbraw/zinc/62/62/41/567626241.db2.gz OSEPCEQFYALWIC-SSDOTTSWSA-N -1 3 378.185 3.373 20 0 GGADHM CCO[C@H]1C[C@](O)(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1(C)C ZINC000530510341 567608327 /nfs/dbraw/zinc/60/83/27/567608327.db2.gz UDRHWFSTWPGZEU-SJCJKPOMSA-N -1 3 383.901 3.088 20 0 GGADHM O=C(NCCNCc1cccc([O-])c1Cl)c1ccc(Br)cc1 ZINC000645150412 567608986 /nfs/dbraw/zinc/60/89/86/567608986.db2.gz UNNJBVFIYOOWFL-UHFFFAOYSA-N -1 3 383.673 3.328 20 0 GGADHM [O-]c1cccc(CNC[C@H](O)COc2ccccc2Br)c1Cl ZINC000645163856 567610570 /nfs/dbraw/zinc/61/05/70/567610570.db2.gz DUUUCTQGPLCOIP-LBPRGKRZSA-N -1 3 386.673 3.338 20 0 GGADHM COc1c([N-]C(=O)c2nnc(C(C)C)s2)cc(Cl)cc1C(=O)N(C)C ZINC000552810276 567611088 /nfs/dbraw/zinc/61/10/88/567611088.db2.gz UNKJAVWICBKYEW-UHFFFAOYSA-N -1 3 382.873 3.278 20 0 GGADHM CN1C(=O)C[C@H](C(=O)Nc2ncccc2[O-])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000480577812 567612414 /nfs/dbraw/zinc/61/24/14/567612414.db2.gz MUOJCRQFVSQIKT-ZUZCIYMTSA-N -1 3 380.231 3.252 20 0 GGADHM O=c1cc(CN2CCO[C@H](c3cccc(Br)c3)C2)nc(C2CC2)[n-]1 ZINC000459317910 567615196 /nfs/dbraw/zinc/61/51/96/567615196.db2.gz BMZJRDLUSQNHNR-INIZCTEOSA-N -1 3 390.281 3.396 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3cccc([O-])c3Br)CC2)s1 ZINC000459332340 567615279 /nfs/dbraw/zinc/61/52/79/567615279.db2.gz VUMNFIUBQYIHOX-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC000459318810 567615301 /nfs/dbraw/zinc/61/53/01/567615301.db2.gz VZAIRAXWLGGPME-AWEZNQCLSA-N -1 3 379.254 3.029 20 0 GGADHM Cc1noc(C)c1CN1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459319629 567615468 /nfs/dbraw/zinc/61/54/68/567615468.db2.gz DCSZZEZYNWYHFV-UHFFFAOYSA-N -1 3 380.286 3.077 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459315750 567615512 /nfs/dbraw/zinc/61/55/12/567615512.db2.gz SDXYAZLTOQTOJG-UHFFFAOYSA-N -1 3 381.263 3.437 20 0 GGADHM C[C@@]1(c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000530648368 567616676 /nfs/dbraw/zinc/61/66/76/567616676.db2.gz DMFXLSQLAOVFNV-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM [O-]c1cccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1Br ZINC000459340470 567616623 /nfs/dbraw/zinc/61/66/23/567616623.db2.gz VGIUOAQSORXPMU-ZDUSSCGKSA-N -1 3 377.286 3.072 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000530669419 567617967 /nfs/dbraw/zinc/61/79/67/567617967.db2.gz ZTHFKAMCJUVZPH-CABCVRRESA-N -1 3 398.326 3.136 20 0 GGADHM Cc1ccc([C@@H](CNCc2cccc([O-])c2Br)N2CCOCC2)o1 ZINC000459365305 567618175 /nfs/dbraw/zinc/61/81/75/567618175.db2.gz ACWQKGHWAPIPMG-OAHLLOKOSA-N -1 3 395.297 3.219 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)Cc1cc(C)no1)c1ccccc1Cl ZINC000530666927 567618034 /nfs/dbraw/zinc/61/80/34/567618034.db2.gz BPKQLJGTIGJAAV-KRWDZBQOSA-N -1 3 385.917 3.139 20 0 GGADHM [O-]c1cccc(CNC[C@H](c2cccs2)N2CCOCC2)c1Br ZINC000459358353 567618487 /nfs/dbraw/zinc/61/84/87/567618487.db2.gz CRZPOQDJZOLCOF-CQSZACIVSA-N -1 3 397.338 3.379 20 0 GGADHM [O-]c1cccc(CNC[C@@H](c2cccs2)N2CCOCC2)c1Br ZINC000459358351 567618672 /nfs/dbraw/zinc/61/86/72/567618672.db2.gz CRZPOQDJZOLCOF-AWEZNQCLSA-N -1 3 397.338 3.379 20 0 GGADHM Cc1ccc([C@H](CNCc2cccc([O-])c2Br)N2CCOCC2)o1 ZINC000459365304 567618699 /nfs/dbraw/zinc/61/86/99/567618699.db2.gz ACWQKGHWAPIPMG-HNNXBMFYSA-N -1 3 395.297 3.219 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000552992526 567619042 /nfs/dbraw/zinc/61/90/42/567619042.db2.gz ZQDKHELZBHWOIQ-APWZRJJASA-N -1 3 382.261 3.361 20 0 GGADHM C[C@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Br)cc3[O-])ccc2N1C ZINC000530699586 567619187 /nfs/dbraw/zinc/61/91/87/567619187.db2.gz VQDUCNOFSQVOJZ-VIFPVBQESA-N -1 3 390.237 3.184 20 0 GGADHM O=C(c1ccoc1)N1CCC(NCc2cccc([O-])c2Br)CC1 ZINC000459373685 567619178 /nfs/dbraw/zinc/61/91/78/567619178.db2.gz WAKXIVUTVFHYGT-UHFFFAOYSA-N -1 3 379.254 3.142 20 0 GGADHM O=C1[C@H](NCc2cccc([O-])c2Br)CCN1Cc1ccccc1 ZINC000459384618 567620559 /nfs/dbraw/zinc/62/05/59/567620559.db2.gz DLZROOJKCZEECK-OAHLLOKOSA-N -1 3 375.266 3.045 20 0 GGADHM [O-]c1cccc(CNC[C@@H](c2ccccc2)N2CCOCC2)c1Br ZINC000459395172 567620709 /nfs/dbraw/zinc/62/07/09/567620709.db2.gz UYMICLMNTNSHSP-KRWDZBQOSA-N -1 3 391.309 3.318 20 0 GGADHM COc1cccc(N2C[C@@H](NCc3cccc([O-])c3Br)CC2=O)c1 ZINC000459393910 567620751 /nfs/dbraw/zinc/62/07/51/567620751.db2.gz GPNWDTPJIYXFOR-ZDUSSCGKSA-N -1 3 391.265 3.058 20 0 GGADHM CN(C)C(=O)C[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459381020 567620978 /nfs/dbraw/zinc/62/09/78/567620978.db2.gz BXBSRIRHPVETOD-OAHLLOKOSA-N -1 3 377.282 3.464 20 0 GGADHM COc1cccc(N2C[C@H](NCc3cccc([O-])c3Br)CC2=O)c1 ZINC000459393909 567621092 /nfs/dbraw/zinc/62/10/92/567621092.db2.gz GPNWDTPJIYXFOR-CYBMUJFWSA-N -1 3 391.265 3.058 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C)c1ccc(Br)cc1 ZINC000530717979 567621264 /nfs/dbraw/zinc/62/12/64/567621264.db2.gz IMMWGYMSUMKXBX-ZDUSSCGKSA-N -1 3 392.315 3.019 20 0 GGADHM [O-]c1cccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1Br ZINC000459406381 567621662 /nfs/dbraw/zinc/62/16/62/567621662.db2.gz CYDQHUFONWZBBN-BBRMVZONSA-N -1 3 386.236 3.482 20 0 GGADHM O=C(C1CCC1)N(CCCNCc1cccc([O-])c1Br)C1CC1 ZINC000459414015 567621829 /nfs/dbraw/zinc/62/18/29/567621829.db2.gz NZPKNEVREVHIPG-UHFFFAOYSA-N -1 3 381.314 3.426 20 0 GGADHM CCc1cc(N2CCC[C@@H](NCc3cccc([O-])c3Br)C2)ncn1 ZINC000459409168 567621883 /nfs/dbraw/zinc/62/18/83/567621883.db2.gz XUZDLVGOUUYJSL-OAHLLOKOSA-N -1 3 391.313 3.266 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000621925833 567621986 /nfs/dbraw/zinc/62/19/86/567621986.db2.gz PKDNFUVZFOQBRW-QMMMGPOBSA-N -1 3 375.347 3.421 20 0 GGADHM O=C(Cn1cc(C2CC2)cn1)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000621922209 567622192 /nfs/dbraw/zinc/62/21/92/567622192.db2.gz RGHRCBZUUCWHBL-UHFFFAOYSA-N -1 3 377.198 3.410 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C)c(F)c1 ZINC000480696888 567622382 /nfs/dbraw/zinc/62/23/82/567622382.db2.gz YILJUKFZHQOMGJ-UHFFFAOYSA-N -1 3 375.462 3.015 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)s1 ZINC000480699952 567622907 /nfs/dbraw/zinc/62/29/07/567622907.db2.gz QCJPRLHTZAFURD-UHFFFAOYSA-N -1 3 379.429 3.245 20 0 GGADHM COc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc(Br)c1OC ZINC000572225598 567623139 /nfs/dbraw/zinc/62/31/39/567623139.db2.gz WWQPSPKOPWBIBJ-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM COc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc(Br)c1OC ZINC000572225598 567623142 /nfs/dbraw/zinc/62/31/42/567623142.db2.gz WWQPSPKOPWBIBJ-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(Br)c1OC ZINC000572225598 567623146 /nfs/dbraw/zinc/62/31/46/567623146.db2.gz WWQPSPKOPWBIBJ-UHFFFAOYSA-N -1 3 393.197 3.097 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCc2c1cccc2Cl ZINC000506334520 567623140 /nfs/dbraw/zinc/62/31/40/567623140.db2.gz YGBZKPLYGHENST-UHFFFAOYSA-N -1 3 378.837 3.024 20 0 GGADHM CCc1cc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)ccc1[O-] ZINC000553052294 567623193 /nfs/dbraw/zinc/62/31/93/567623193.db2.gz MXYKXMXRZCLPIE-CYBMUJFWSA-N -1 3 384.259 3.431 20 0 GGADHM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000530777801 567623200 /nfs/dbraw/zinc/62/32/00/567623200.db2.gz YKOACQPSRBFYTR-ZDUSSCGKSA-N -1 3 386.290 3.216 20 0 GGADHM O=C1COc2ccccc2N1CCCNCc1cccc([O-])c1Br ZINC000459435184 567623575 /nfs/dbraw/zinc/62/35/75/567623575.db2.gz WRKDNRNRRIHVIY-UHFFFAOYSA-N -1 3 391.265 3.060 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000480710529 567623540 /nfs/dbraw/zinc/62/35/40/567623540.db2.gz DRYJIQUTBHYPHK-TZMCWYRMSA-N -1 3 383.466 3.288 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000480710524 567624078 /nfs/dbraw/zinc/62/40/78/567624078.db2.gz DRYJIQUTBHYPHK-GXTWGEPZSA-N -1 3 383.466 3.288 20 0 GGADHM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(C(N)=O)ccc3Cl)c2n1 ZINC000530771714 567624209 /nfs/dbraw/zinc/62/42/09/567624209.db2.gz GQZXAZHSSNDJJD-UHFFFAOYSA-N -1 3 375.837 3.096 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000480723968 567624632 /nfs/dbraw/zinc/62/46/32/567624632.db2.gz UFRZLHDFRKFDAA-WBVHZDCISA-N -1 3 385.844 3.296 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000621953243 567625046 /nfs/dbraw/zinc/62/50/46/567625046.db2.gz HTEBPASUDDTZCE-UHFFFAOYSA-N -1 3 395.228 3.372 20 0 GGADHM O=C1C[C@H](CNCc2cccc([O-])c2Br)CN1Cc1ccccc1 ZINC000459447035 567625212 /nfs/dbraw/zinc/62/52/12/567625212.db2.gz FRELTZXBMQAKRQ-OAHLLOKOSA-N -1 3 389.293 3.293 20 0 GGADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1F ZINC000645443157 567625194 /nfs/dbraw/zinc/62/51/94/567625194.db2.gz AFBGBNLTJJOMGM-SECBINFHSA-N -1 3 378.347 3.288 20 0 GGADHM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1=O ZINC000440392179 567625663 /nfs/dbraw/zinc/62/56/63/567625663.db2.gz MNNQEZWJBOUENA-ZDUSSCGKSA-N -1 3 380.897 3.171 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C(F)(F)F ZINC000572241262 567625984 /nfs/dbraw/zinc/62/59/84/567625984.db2.gz PEFIDEZQNRZLQL-YFKPBYRVSA-N -1 3 378.656 3.244 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000480746128 567625975 /nfs/dbraw/zinc/62/59/75/567625975.db2.gz DVIYUIMTRJLGFG-SWLSCSKDSA-N -1 3 383.466 3.288 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)c(F)c1 ZINC000480738773 567626053 /nfs/dbraw/zinc/62/60/53/567626053.db2.gz RGIMGFYGNYLTCO-ZDUSSCGKSA-N -1 3 384.860 3.045 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000480745614 567626267 /nfs/dbraw/zinc/62/62/67/567626267.db2.gz CPEPWXVJHMJDAI-OCCSQVGLSA-N -1 3 383.466 3.288 20 0 GGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000480735761 567626361 /nfs/dbraw/zinc/62/63/61/567626361.db2.gz AAPDLKYGROWJFS-JTQLQIEISA-N -1 3 385.379 3.243 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000480736691 567626485 /nfs/dbraw/zinc/62/64/85/567626485.db2.gz CFSLOIYKKPVQOK-UHFFFAOYSA-N -1 3 397.758 3.217 20 0 GGADHM CCCc1nc(=NC(=O)NCC2CCN(Cc3cccs3)CC2)s[n-]1 ZINC000572269921 567626799 /nfs/dbraw/zinc/62/67/99/567626799.db2.gz XGTIZPLQJJZWNX-UHFFFAOYSA-N -1 3 379.555 3.008 20 0 GGADHM CN(C)[C@]1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCSC1 ZINC000440418228 567626993 /nfs/dbraw/zinc/62/69/93/567626993.db2.gz SPQKFEJXTTYJAA-KRWDZBQOSA-N -1 3 384.954 3.209 20 0 GGADHM C[C@@H](c1nccs1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459478877 567627379 /nfs/dbraw/zinc/62/73/79/567627379.db2.gz LGBQQQGRHPVSIZ-LBPRGKRZSA-N -1 3 382.327 3.490 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)c(Cl)c1Cl ZINC000480748757 567627605 /nfs/dbraw/zinc/62/76/05/567627605.db2.gz MAIUUTSBSKGILZ-SNVBAGLBSA-N -1 3 398.308 3.401 20 0 GGADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000480755346 567627635 /nfs/dbraw/zinc/62/76/35/567627635.db2.gz MGAYINGCZTZFCK-ACJLOTCBSA-N -1 3 385.888 3.387 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)Cn1cccn1 ZINC000645474419 567629067 /nfs/dbraw/zinc/62/90/67/567629067.db2.gz AQNFBKQGEBWVHB-JTQLQIEISA-N -1 3 397.806 3.050 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)cs1 ZINC000645478913 567629320 /nfs/dbraw/zinc/62/93/20/567629320.db2.gz UUUGFSOCOORYSK-UHFFFAOYSA-N -1 3 386.804 3.482 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645480721 567629948 /nfs/dbraw/zinc/62/99/48/567629948.db2.gz KJKRTIUMKDSUTC-UHFFFAOYSA-N -1 3 397.806 3.112 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000480770903 567630136 /nfs/dbraw/zinc/63/01/36/567630136.db2.gz QFXICCSAQWUXEN-UHFFFAOYSA-N -1 3 397.758 3.217 20 0 GGADHM CN(C)CCOc1ccc(CN=c2[n-]nc(-c3ccc(Cl)s3)o2)cc1 ZINC000622003129 567630782 /nfs/dbraw/zinc/63/07/82/567630782.db2.gz MMUHJGCUQKKZOF-UHFFFAOYSA-N -1 3 378.885 3.426 20 0 GGADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccc1 ZINC000480783199 567631433 /nfs/dbraw/zinc/63/14/33/567631433.db2.gz BONABUWAZNZURV-UGSOOPFHSA-N -1 3 385.888 3.387 20 0 GGADHM COCC(=O)N1CCc2cc(NCc3cccc([O-])c3Br)ccc21 ZINC000459497533 567631357 /nfs/dbraw/zinc/63/13/57/567631357.db2.gz JVBMXYCIQJTIQN-UHFFFAOYSA-N -1 3 391.265 3.302 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)oc1C ZINC000530950902 567633159 /nfs/dbraw/zinc/63/31/59/567633159.db2.gz IVCNIXBZBQHGKC-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000622043088 567633278 /nfs/dbraw/zinc/63/32/78/567633278.db2.gz RKQSNTZSNZTJAI-VIFPVBQESA-N -1 3 379.791 3.497 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000622041641 567633293 /nfs/dbraw/zinc/63/32/93/567633293.db2.gz GHAUEWWHYRJJDV-VIFPVBQESA-N -1 3 379.791 3.497 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n1 ZINC000622042078 567633401 /nfs/dbraw/zinc/63/34/01/567633401.db2.gz QLZJONGLHHKCGH-VIFPVBQESA-N -1 3 395.790 3.377 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCc3cc(Cl)ccc3C2)ccc1F ZINC000480822975 567633436 /nfs/dbraw/zinc/63/34/36/567633436.db2.gz LDQIQLMRXJKNAP-UHFFFAOYSA-N -1 3 382.844 3.049 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000622042018 567633565 /nfs/dbraw/zinc/63/35/65/567633565.db2.gz PILIOFZIXOMTBK-SECBINFHSA-N -1 3 377.800 3.079 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3cn(C(C)C)nc3C2)c(Cl)cc1F ZINC000480826108 567633682 /nfs/dbraw/zinc/63/36/82/567633682.db2.gz JRFAHWNPVHAQOS-CYBMUJFWSA-N -1 3 385.892 3.401 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000622041576 567633643 /nfs/dbraw/zinc/63/36/43/567633643.db2.gz DLQJRFGLKPQZRR-SECBINFHSA-N -1 3 379.791 3.497 20 0 GGADHM Cc1ccc2nnc(C[N-]S(=O)(=O)c3c(C)c(Cl)cc(C)c3Cl)n2c1 ZINC000622040316 567633772 /nfs/dbraw/zinc/63/37/72/567633772.db2.gz OFGAHQKWRFDICO-UHFFFAOYSA-N -1 3 399.303 3.440 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)sc1Br ZINC000572353898 567634302 /nfs/dbraw/zinc/63/43/02/567634302.db2.gz LAUQHSKWYFICAD-QMMMGPOBSA-N -1 3 389.287 3.069 20 0 GGADHM Cc1ccc(CN2CC[C@@H](NCc3cccc([O-])c3Br)C2=O)cc1 ZINC000459527905 567634680 /nfs/dbraw/zinc/63/46/80/567634680.db2.gz QMCXRFSHADBBKM-MRXNPFEDSA-N -1 3 389.293 3.354 20 0 GGADHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000480847865 567634818 /nfs/dbraw/zinc/63/48/18/567634818.db2.gz BMLPWCZEUJLISK-RNCFNFMXSA-N -1 3 382.835 3.120 20 0 GGADHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000480847846 567635412 /nfs/dbraw/zinc/63/54/12/567635412.db2.gz TTZYFJRCJXQOOO-OQPBUACISA-N -1 3 383.728 3.408 20 0 GGADHM CCc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000506648722 567635498 /nfs/dbraw/zinc/63/54/98/567635498.db2.gz YDJNPWZUIDCULR-UHFFFAOYSA-N -1 3 387.914 3.064 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000480847869 567635491 /nfs/dbraw/zinc/63/54/91/567635491.db2.gz BMLPWCZEUJLISK-ZANVPECISA-N -1 3 382.835 3.120 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(CSC)cc1)c1ccccc1 ZINC000506634447 567635843 /nfs/dbraw/zinc/63/58/43/567635843.db2.gz SFZWJLMGXVIKTF-KRWDZBQOSA-N -1 3 379.503 3.248 20 0 GGADHM CCOc1cc(CNc2cc(S(=O)(=O)NC)ccc2C)cc(Cl)c1[O-] ZINC000459547341 567636412 /nfs/dbraw/zinc/63/64/12/567636412.db2.gz VPGHLVAGWJOEAJ-UHFFFAOYSA-N -1 3 384.885 3.273 20 0 GGADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645518341 567636571 /nfs/dbraw/zinc/63/65/71/567636571.db2.gz JOWWAXGUPQGYSC-UHFFFAOYSA-N -1 3 386.804 3.482 20 0 GGADHM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000506663942 567636751 /nfs/dbraw/zinc/63/67/51/567636751.db2.gz TXAUMTJPZAWMGO-DEOSSOPVSA-N -1 3 384.523 3.101 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480867919 567637608 /nfs/dbraw/zinc/63/76/08/567637608.db2.gz UOLPXOKSNBIQLN-ZDUSSCGKSA-N -1 3 387.523 3.003 20 0 GGADHM CN(C[C@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000572413788 567638618 /nfs/dbraw/zinc/63/86/18/567638618.db2.gz URNWDSCBSMGREW-WMLDXEAASA-N -1 3 392.249 3.347 20 0 GGADHM CCn1cnc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)cc(Cl)c23)c1 ZINC000480873893 567638754 /nfs/dbraw/zinc/63/87/54/567638754.db2.gz XBRTVDZHINNQAQ-UHFFFAOYSA-N -1 3 387.292 3.212 20 0 GGADHM COCCN(Cc1c(C)nn(C)c1C)Cc1cccc([O-])c1Br ZINC000459583544 567639240 /nfs/dbraw/zinc/63/92/40/567639240.db2.gz GOUNWJJTXOJMAH-UHFFFAOYSA-N -1 3 382.302 3.154 20 0 GGADHM CC(C)CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553281122 567640391 /nfs/dbraw/zinc/64/03/91/567640391.db2.gz AYHZJKIGPWUOOU-UHFFFAOYSA-N -1 3 395.352 3.460 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440706834 567641024 /nfs/dbraw/zinc/64/10/24/567641024.db2.gz VNPUZAUWRAXCLB-BXUZGUMPSA-N -1 3 380.432 3.084 20 0 GGADHM C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622155565 567641053 /nfs/dbraw/zinc/64/10/53/567641053.db2.gz MCYPRKFLZNRZNO-BMIGLBTASA-N -1 3 395.228 3.291 20 0 GGADHM CCc1cc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)on1 ZINC000645560632 567641370 /nfs/dbraw/zinc/64/13/70/567641370.db2.gz AQAPEMARPSFULV-UHFFFAOYSA-N -1 3 393.690 3.273 20 0 GGADHM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000506730318 567641471 /nfs/dbraw/zinc/64/14/71/567641471.db2.gz MJCFQJBLSHRJJB-UHFFFAOYSA-N -1 3 380.897 3.463 20 0 GGADHM CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531113040 567642197 /nfs/dbraw/zinc/64/21/97/567642197.db2.gz FYLXDXRUDLZKKZ-GFCCVEGCSA-N -1 3 382.869 3.437 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H]2c2ccc(Br)cc2)c(=O)[n-]1 ZINC000622180347 567642887 /nfs/dbraw/zinc/64/28/87/567642887.db2.gz HBMVWHLDQNOEFT-MRXNPFEDSA-N -1 3 390.281 3.468 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Br)C(=O)N=c1cc2ccccn2[n-]1 ZINC000553316115 567642873 /nfs/dbraw/zinc/64/28/73/567642873.db2.gz GIAFNMMENWJIBO-SNVBAGLBSA-N -1 3 378.201 3.064 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000531169992 567643023 /nfs/dbraw/zinc/64/30/23/567643023.db2.gz QWJNNVVBMRORNN-SECBINFHSA-N -1 3 385.898 3.029 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000480918644 567642990 /nfs/dbraw/zinc/64/29/90/567642990.db2.gz ACNGMFMRFYUXPU-NSHDSACASA-N -1 3 387.288 3.440 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)s1 ZINC000645566391 567643081 /nfs/dbraw/zinc/64/30/81/567643081.db2.gz JCWXFGXVFCMYPW-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)s1 ZINC000531142297 567643109 /nfs/dbraw/zinc/64/31/09/567643109.db2.gz VFMCFUBOQIOAAD-VIFPVBQESA-N -1 3 389.520 3.261 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)s1 ZINC000531142296 567643451 /nfs/dbraw/zinc/64/34/51/567643451.db2.gz VFMCFUBOQIOAAD-SECBINFHSA-N -1 3 389.520 3.261 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000531169993 567643540 /nfs/dbraw/zinc/64/35/40/567643540.db2.gz QWJNNVVBMRORNN-VIFPVBQESA-N -1 3 385.898 3.029 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645574008 567643788 /nfs/dbraw/zinc/64/37/88/567643788.db2.gz XHFVFAOHYZIWDC-KOLCDFICSA-N -1 3 389.823 3.314 20 0 GGADHM CSCC1(Cc2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)CC1 ZINC000596616559 567644196 /nfs/dbraw/zinc/64/41/96/567644196.db2.gz VYVRLYJIQVBOKC-CYBMUJFWSA-N -1 3 381.523 3.103 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3COc4ccccc4C3)s2)cs1 ZINC000480936739 567644398 /nfs/dbraw/zinc/64/43/98/567644398.db2.gz OLTNPTMOTRAABZ-CYBMUJFWSA-N -1 3 392.527 3.462 20 0 GGADHM O=C(NCCCNC(=O)c1cc(Cl)c(F)cc1Cl)c1cccc([O-])c1 ZINC000480944613 567644541 /nfs/dbraw/zinc/64/45/41/567644541.db2.gz FZCYAWGQOHICQZ-UHFFFAOYSA-N -1 3 385.222 3.388 20 0 GGADHM Cn1cc([N-]S(=O)(=O)c2csc3ccccc32)cc(Br)c1=O ZINC000506816131 567644728 /nfs/dbraw/zinc/64/47/28/567644728.db2.gz PNHPUXILAFANQP-UHFFFAOYSA-N -1 3 399.291 3.163 20 0 GGADHM O=C(CC[C@@H]1CCOC1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000531193903 567645586 /nfs/dbraw/zinc/64/55/86/567645586.db2.gz KXSQEQHBEXUHGT-SNVBAGLBSA-N -1 3 382.233 3.155 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)CCCO1 ZINC000645595482 567645527 /nfs/dbraw/zinc/64/55/27/567645527.db2.gz PZOBIPVFXNHHDS-CYBMUJFWSA-N -1 3 382.707 3.091 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1Cc2ccccc2C1 ZINC000480960596 567646421 /nfs/dbraw/zinc/64/64/21/567646421.db2.gz XFCXSYOZVTYQCF-NSHDSACASA-N -1 3 399.299 3.203 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCN3CCC[C@H](C)C3)s2)cs1 ZINC000480962917 567646512 /nfs/dbraw/zinc/64/65/12/567646512.db2.gz VUTLBMLIAXJCLN-LBPRGKRZSA-N -1 3 385.580 3.190 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCN3CCC[C@@H](C)C3)s2)cs1 ZINC000480962915 567646561 /nfs/dbraw/zinc/64/65/61/567646561.db2.gz VUTLBMLIAXJCLN-GFCCVEGCSA-N -1 3 385.580 3.190 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)c1ccccn1)C(C)C ZINC000645606562 567646694 /nfs/dbraw/zinc/64/66/94/567646694.db2.gz UDTZPUQEGJZWTA-ROUUACIJSA-N -1 3 382.913 3.415 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000531194984 567646666 /nfs/dbraw/zinc/64/66/66/567646666.db2.gz JDFDPTDNGNOWJY-QWHCGFSZSA-N -1 3 387.324 3.357 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2ccc(F)cc21)c1ccc(Br)cn1 ZINC000480979961 567647908 /nfs/dbraw/zinc/64/79/08/567647908.db2.gz MVHAMKKBVRUOSG-AWEZNQCLSA-N -1 3 385.258 3.339 20 0 GGADHM CCc1ccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c([O-])c1 ZINC000622439184 567648679 /nfs/dbraw/zinc/64/86/79/567648679.db2.gz AAQAXWGZKHXTEG-GFCCVEGCSA-N -1 3 384.259 3.431 20 0 GGADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000665968685 567648698 /nfs/dbraw/zinc/64/86/98/567648698.db2.gz ZZLWRBNYKXYDCS-GFCCVEGCSA-N -1 3 379.503 3.351 20 0 GGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000480989478 567649336 /nfs/dbraw/zinc/64/93/36/567649336.db2.gz YXKASPKTJRCKML-ZDUSSCGKSA-N -1 3 385.580 3.333 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645634620 567649796 /nfs/dbraw/zinc/64/97/96/567649796.db2.gz TYTRWGKOBPUPSN-GWCFXTLKSA-N -1 3 385.791 3.084 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])c1cccs1 ZINC000531254034 567649937 /nfs/dbraw/zinc/64/99/37/567649937.db2.gz IXZWZYPCDWPWMQ-LBPRGKRZSA-N -1 3 383.267 3.422 20 0 GGADHM CO[C@@](C)([C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000572582467 567650771 /nfs/dbraw/zinc/65/07/71/567650771.db2.gz NNCLGQQCBWKNSW-MGNBDDOMSA-N -1 3 393.281 3.224 20 0 GGADHM O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc(Br)cc1[O-] ZINC000531288825 567650883 /nfs/dbraw/zinc/65/08/83/567650883.db2.gz XUURPROWDFBHIT-UHFFFAOYSA-N -1 3 383.286 3.128 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000645641205 567651148 /nfs/dbraw/zinc/65/11/48/567651148.db2.gz YZADELXBWBXKKN-CQSZACIVSA-N -1 3 384.860 3.045 20 0 GGADHM COC1(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)CCC1 ZINC000645644747 567651444 /nfs/dbraw/zinc/65/14/44/567651444.db2.gz JZKJJBZGMMFCHX-UHFFFAOYSA-N -1 3 382.707 3.091 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@@H]1CCCOC1 ZINC000645645003 567651542 /nfs/dbraw/zinc/65/15/42/567651542.db2.gz RTKLFEYJZVPZBF-VHSXEESVSA-N -1 3 387.807 3.332 20 0 GGADHM CC(C)=CCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000481013138 567651752 /nfs/dbraw/zinc/65/17/52/567651752.db2.gz ZWDMHSYBNYCKEH-UHFFFAOYSA-N -1 3 379.309 3.134 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645655541 567652353 /nfs/dbraw/zinc/65/23/53/567652353.db2.gz BMFIAGLKYIMFHQ-JTQLQIEISA-N -1 3 399.774 3.234 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645653602 567652956 /nfs/dbraw/zinc/65/29/56/567652956.db2.gz NUHLPVUGTZRGDP-AAEUAGOBSA-N -1 3 399.818 3.475 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000481045492 567653949 /nfs/dbraw/zinc/65/39/49/567653949.db2.gz XTLPCONEZZJYAG-MRXNPFEDSA-N -1 3 378.450 3.359 20 0 GGADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507009242 567654570 /nfs/dbraw/zinc/65/45/70/567654570.db2.gz XIKLNQCNPUEFLY-UHFFFAOYSA-N -1 3 388.276 3.327 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(OC)cc1F)c1ccsc1 ZINC000481065930 567655517 /nfs/dbraw/zinc/65/55/17/567655517.db2.gz YSEHWOZEAKFXMU-INIZCTEOSA-N -1 3 386.514 3.257 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)OCCc2sccc21 ZINC000572651700 567656356 /nfs/dbraw/zinc/65/63/56/567656356.db2.gz NXGPVQQIWYBODT-INIZCTEOSA-N -1 3 389.901 3.448 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000531380556 567656803 /nfs/dbraw/zinc/65/68/03/567656803.db2.gz KOURKQCAEOGHFV-VXGBXAGGSA-N -1 3 375.512 3.181 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cc(C(F)(F)F)ccc1Cl ZINC000481077422 567656853 /nfs/dbraw/zinc/65/68/53/567656853.db2.gz VMZHACMKCGOAQH-NSHDSACASA-N -1 3 379.791 3.438 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000531380553 567657429 /nfs/dbraw/zinc/65/74/29/567657429.db2.gz KOURKQCAEOGHFV-NEPJUHHUSA-N -1 3 375.512 3.181 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c(C)o1 ZINC000572683656 567657426 /nfs/dbraw/zinc/65/74/26/567657426.db2.gz BSKAZKYJWGQHCB-VIFPVBQESA-N -1 3 375.855 3.055 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c(C)o1 ZINC000572683655 567657621 /nfs/dbraw/zinc/65/76/21/567657621.db2.gz BSKAZKYJWGQHCB-SECBINFHSA-N -1 3 375.855 3.055 20 0 GGADHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645713334 567658224 /nfs/dbraw/zinc/65/82/24/567658224.db2.gz KDFQDCCPSIXRNQ-ZJUUUORDSA-N -1 3 387.807 3.190 20 0 GGADHM CC[C@@H](C)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553484972 567658097 /nfs/dbraw/zinc/65/80/97/567658097.db2.gz PRVFUHMJCPNBFQ-MNOVXSKESA-N -1 3 396.340 3.006 20 0 GGADHM C[C@@H](C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(Cl)s1 ZINC000531415019 567658263 /nfs/dbraw/zinc/65/82/63/567658263.db2.gz YNGARMPSXGYIEI-VVVCHXIZSA-N -1 3 377.853 3.198 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1C(F)(F)F ZINC000481087876 567658566 /nfs/dbraw/zinc/65/85/66/567658566.db2.gz HRVABCPVRWBWCF-NSHDSACASA-N -1 3 379.791 3.438 20 0 GGADHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645713331 567658870 /nfs/dbraw/zinc/65/88/70/567658870.db2.gz KDFQDCCPSIXRNQ-NXEZZACHSA-N -1 3 387.807 3.190 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1Cc1ccccc1 ZINC000553497758 567659273 /nfs/dbraw/zinc/65/92/73/567659273.db2.gz FONJOUWUUYJGRV-MRXNPFEDSA-N -1 3 399.299 3.073 20 0 GGADHM Cc1cccc2cc(S(=O)(=O)[N-][C@H]3CC[C@@](O)(C(F)(F)F)C3)sc21 ZINC000645721950 567660298 /nfs/dbraw/zinc/66/02/98/567660298.db2.gz CIUVOPFTDDVQCO-FZMZJTMJSA-N -1 3 379.425 3.334 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N(CC1CCC1)c1ccccc1 ZINC000531464681 567660369 /nfs/dbraw/zinc/66/03/69/567660369.db2.gz ZADYTNLAVYRBQZ-UHFFFAOYSA-N -1 3 378.519 3.250 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@@H]1COc2ccc(F)cc21 ZINC000553515619 567660760 /nfs/dbraw/zinc/66/07/60/567660760.db2.gz SRQPHJUICPUEIH-CQSZACIVSA-N -1 3 386.242 3.141 20 0 GGADHM Cn1ccc2c(NC(=O)Cc3ccc(Br)cc3[O-])cccc2c1=O ZINC000507133952 567660957 /nfs/dbraw/zinc/66/09/57/567660957.db2.gz AHTPSZCFPXNHCP-UHFFFAOYSA-N -1 3 387.233 3.188 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(C)(C)O ZINC000645735065 567661726 /nfs/dbraw/zinc/66/17/26/567661726.db2.gz QCHUUGONNAKESF-NSHDSACASA-N -1 3 375.796 3.066 20 0 GGADHM Cn1cc(Br)c(=NC(=O)c2ccc(CCC(F)(F)F)cc2)[n-]1 ZINC000572724150 567661767 /nfs/dbraw/zinc/66/17/67/567661767.db2.gz FPNMXPPZWHLZMT-UHFFFAOYSA-N -1 3 376.176 3.352 20 0 GGADHM COCCC1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000481214362 567662094 /nfs/dbraw/zinc/66/20/94/567662094.db2.gz NOTYUMDBMMYFJP-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM CC(C)CC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC000441392018 567662142 /nfs/dbraw/zinc/66/21/42/567662142.db2.gz ATFFISHHQNQQKA-UHFFFAOYSA-N -1 3 390.908 3.090 20 0 GGADHM COCCC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000481215014 567662194 /nfs/dbraw/zinc/66/21/94/567662194.db2.gz RBCFHLAGGPWUEM-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)sc1C ZINC000553535048 567662742 /nfs/dbraw/zinc/66/27/42/567662742.db2.gz VGFCXQRDDBROQO-UHFFFAOYSA-N -1 3 398.403 3.319 20 0 GGADHM CCC[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441390506 567662780 /nfs/dbraw/zinc/66/27/80/567662780.db2.gz ZXONSSKKQFJZFT-INIZCTEOSA-N -1 3 378.897 3.090 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645748770 567662974 /nfs/dbraw/zinc/66/29/74/567662974.db2.gz KWGGLNGDKBWXPN-SNVBAGLBSA-N -1 3 387.807 3.334 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645748769 567663250 /nfs/dbraw/zinc/66/32/50/567663250.db2.gz KWGGLNGDKBWXPN-JTQLQIEISA-N -1 3 387.807 3.334 20 0 GGADHM CC(C)CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000553535958 567663281 /nfs/dbraw/zinc/66/32/81/567663281.db2.gz AGVSGTQDFBELER-LBPRGKRZSA-N -1 3 380.888 3.265 20 0 GGADHM O=S(=O)([N-][C@H]1CC12CCOCC2)c1cc(Cl)ccc1OC(F)(F)F ZINC000645745931 567663478 /nfs/dbraw/zinc/66/34/78/567663478.db2.gz DSPKAMVLLJVFFD-LBPRGKRZSA-N -1 3 385.791 3.086 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)C1 ZINC000481220181 567663638 /nfs/dbraw/zinc/66/36/38/567663638.db2.gz IYPXQSCMDPKICB-IHRRRGAJSA-N -1 3 375.918 3.468 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)C2)c(OC)cc1Br ZINC000481219087 567663669 /nfs/dbraw/zinc/66/36/69/567663669.db2.gz NLUABQNUTBVYSG-WDEREUQCSA-N -1 3 392.315 3.181 20 0 GGADHM O=S(=O)([N-]CCNc1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1F ZINC000553543570 567663876 /nfs/dbraw/zinc/66/38/76/567663876.db2.gz JWCRZZJHOUIBHW-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)s2)s1 ZINC000481235889 567664514 /nfs/dbraw/zinc/66/45/14/567664514.db2.gz OMVZIHJJEMWPEN-RKDXNWHRSA-N -1 3 393.353 3.418 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H](C)O1 ZINC000645760993 567665904 /nfs/dbraw/zinc/66/59/04/567665904.db2.gz SDSKXVVCOSOZTN-UTLUCORTSA-N -1 3 387.807 3.330 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Br)cn1 ZINC000481248923 567666115 /nfs/dbraw/zinc/66/61/15/567666115.db2.gz FBDDSXOOMKAQIC-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000481265717 567666834 /nfs/dbraw/zinc/66/68/34/567666834.db2.gz WLEXJRFTZQCDPA-WFASDCNBSA-N -1 3 383.466 3.288 20 0 GGADHM CCc1cc(Br)c(C)nc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000622916253 567667290 /nfs/dbraw/zinc/66/72/90/567667290.db2.gz HTPOQSWCRUCSGR-UHFFFAOYSA-N -1 3 393.285 3.399 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(OC2CCCCC2)nc1 ZINC000531612487 567668405 /nfs/dbraw/zinc/66/84/05/567668405.db2.gz PIPIRGOKLXKCPC-UHFFFAOYSA-N -1 3 382.507 3.342 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2csc(C3CCCCC3)n2)s1 ZINC000572819670 567668800 /nfs/dbraw/zinc/66/88/00/567668800.db2.gz MGGVZPXLMDUWSV-UHFFFAOYSA-N -1 3 399.563 3.090 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000553574264 567668804 /nfs/dbraw/zinc/66/88/04/567668804.db2.gz DIIMKUIWQNWCMQ-UHFFFAOYSA-N -1 3 388.205 3.077 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c(Cl)c1Cl ZINC000553576429 567668926 /nfs/dbraw/zinc/66/89/26/567668926.db2.gz IMGRFWLFBVAUQS-UHFFFAOYSA-N -1 3 398.218 3.208 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C2(C3CC3)CC2)cc1Cl ZINC000531602640 567669271 /nfs/dbraw/zinc/66/92/71/567669271.db2.gz HSJWNOCQPADLPR-UHFFFAOYSA-N -1 3 380.691 3.332 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000645795298 567669289 /nfs/dbraw/zinc/66/92/89/567669289.db2.gz SKPMAUMHARCETI-LLVKDONJSA-N -1 3 385.860 3.325 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)s1 ZINC000645795235 567669299 /nfs/dbraw/zinc/66/92/99/567669299.db2.gz QFJGXRXNLUWGEM-LBPRGKRZSA-N -1 3 396.525 3.023 20 0 GGADHM O=C(NC[C@H](CO)Cc1ccccc1Br)c1cc([O-])ccc1Cl ZINC000507245194 567669625 /nfs/dbraw/zinc/66/96/25/567669625.db2.gz WUEVGXVBCXFMNK-LLVKDONJSA-N -1 3 398.684 3.389 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)cs1 ZINC000666388809 567671095 /nfs/dbraw/zinc/67/10/95/567671095.db2.gz DYPFQJDKZLYPMM-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCc2sccc2[C@@H]1C ZINC000441651270 567671419 /nfs/dbraw/zinc/67/14/19/567671419.db2.gz LQQCRPBLZLICPQ-JTQLQIEISA-N -1 3 378.475 3.071 20 0 GGADHM O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000507252657 567671335 /nfs/dbraw/zinc/67/13/35/567671335.db2.gz NGVCVXUTDVERJH-LBPRGKRZSA-N -1 3 398.684 3.389 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(N(C)C)CCSC2)c1Cl ZINC000481341596 567672869 /nfs/dbraw/zinc/67/28/69/567672869.db2.gz OZFPYFOQTGKNRW-CQSZACIVSA-N -1 3 383.366 3.017 20 0 GGADHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000645830812 567672862 /nfs/dbraw/zinc/67/28/62/567672862.db2.gz AXSDUHGIGGHPSZ-UWVGGRQHSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000507288516 567673622 /nfs/dbraw/zinc/67/36/22/567673622.db2.gz FGTSNFOPJINKJU-LLVKDONJSA-N -1 3 395.388 3.299 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1cccc(Cl)c1Cl ZINC000507311616 567673971 /nfs/dbraw/zinc/67/39/71/567673971.db2.gz NNDAUGDMXRGLHZ-UHFFFAOYSA-N -1 3 391.345 3.392 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC(C(F)F)CC1 ZINC000531736450 567675752 /nfs/dbraw/zinc/67/57/52/567675752.db2.gz VWLPGWAHKPYWIN-UHFFFAOYSA-N -1 3 385.208 3.408 20 0 GGADHM C[C@@]1(c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000531766862 567677320 /nfs/dbraw/zinc/67/73/20/567677320.db2.gz GSVDSMGKFMWSDD-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645879154 567678575 /nfs/dbraw/zinc/67/85/75/567678575.db2.gz BETVZDFUJDXNBG-IONNQARKSA-N -1 3 375.821 3.411 20 0 GGADHM CSC[C@@H](CCO)NCc1cc(Br)c([O-])c(Br)c1 ZINC000597056583 567678605 /nfs/dbraw/zinc/67/86/05/567678605.db2.gz BSHRNJBSGCCELE-SECBINFHSA-N -1 3 399.148 3.121 20 0 GGADHM CCOc1ccc(CC[N-]S(=O)(=O)c2sc(C)nc2C)cc1OCC ZINC000481461523 567679696 /nfs/dbraw/zinc/67/96/96/567679696.db2.gz ARHUXKAEPQWGEN-UHFFFAOYSA-N -1 3 384.523 3.078 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(NC(=O)N(C)C)cc2)sc1Cl ZINC000481466446 567679878 /nfs/dbraw/zinc/67/98/78/567679878.db2.gz PRIXTBUGVLIKAV-UHFFFAOYSA-N -1 3 387.914 3.282 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)c1cc(F)cc(F)c1 ZINC000481482087 567680228 /nfs/dbraw/zinc/68/02/28/567680228.db2.gz QBFUVJICSUJNOL-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000441989018 567681061 /nfs/dbraw/zinc/68/10/61/567681061.db2.gz GKYGYLTUKUKQQJ-STQMWFEESA-N -1 3 394.534 3.079 20 0 GGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000481471562 567681167 /nfs/dbraw/zinc/68/11/67/567681167.db2.gz ATRVSLVDUCVAKL-JTQLQIEISA-N -1 3 382.295 3.054 20 0 GGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000481474407 567681303 /nfs/dbraw/zinc/68/13/03/567681303.db2.gz JWSXGZFSHXZLJV-LLVKDONJSA-N -1 3 382.295 3.054 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1F ZINC000442104430 567681419 /nfs/dbraw/zinc/68/14/19/567681419.db2.gz BFFSUCSBRZVVKL-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2c1cccc2F)c1ccc(Cl)cc1F ZINC000442096332 567681569 /nfs/dbraw/zinc/68/15/69/567681569.db2.gz VBNLLQXOQFIOKD-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000481490730 567681688 /nfs/dbraw/zinc/68/16/88/567681688.db2.gz JAIZBLBMMVEDCQ-SNVBAGLBSA-N -1 3 381.306 3.024 20 0 GGADHM CC1(C)CC[C@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000553768081 567682376 /nfs/dbraw/zinc/68/23/76/567682376.db2.gz FAOYFZNETSEIEO-CYBMUJFWSA-N -1 3 384.548 3.207 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)cc1Cl ZINC000481494753 567682664 /nfs/dbraw/zinc/68/26/64/567682664.db2.gz RNALNLYRITXSDS-SNVBAGLBSA-N -1 3 384.325 3.468 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000507511818 567683435 /nfs/dbraw/zinc/68/34/35/567683435.db2.gz RPXRACDAVWVNLZ-UHFFFAOYSA-N -1 3 393.138 3.395 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000507511818 567683440 /nfs/dbraw/zinc/68/34/40/567683440.db2.gz RPXRACDAVWVNLZ-UHFFFAOYSA-N -1 3 393.138 3.395 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000442124806 567683314 /nfs/dbraw/zinc/68/33/14/567683314.db2.gz SPAHJLOFNMFLFL-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000442134387 567683657 /nfs/dbraw/zinc/68/36/57/567683657.db2.gz MGRWTVZRJVFJOH-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)sc1Br ZINC000481500095 567683663 /nfs/dbraw/zinc/68/36/63/567683663.db2.gz FFOCWEXTVXQFSC-JTQLQIEISA-N -1 3 384.361 3.285 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000442135881 567683985 /nfs/dbraw/zinc/68/39/85/567683985.db2.gz YOQMTOCVBBVOGE-SECBINFHSA-N -1 3 380.869 3.309 20 0 GGADHM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000442214947 567684818 /nfs/dbraw/zinc/68/48/18/567684818.db2.gz CSJNKQUCIXAWPQ-UHFFFAOYSA-N -1 3 395.687 3.064 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H]2CSc3ccc(Br)cc32)c(=O)[n-]1 ZINC000573060232 567684757 /nfs/dbraw/zinc/68/47/57/567684757.db2.gz RNSXIPCYFGKJRY-CYBMUJFWSA-N -1 3 394.294 3.067 20 0 GGADHM Cc1cc(C(=O)N(Cc2cc(Br)ccc2F)C(C)C)[n-]c(=O)n1 ZINC000531900897 567686363 /nfs/dbraw/zinc/68/63/63/567686363.db2.gz HKIVDQLLYQUYGK-UHFFFAOYSA-N -1 3 382.233 3.443 20 0 GGADHM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000531911786 567687007 /nfs/dbraw/zinc/68/70/07/567687007.db2.gz KTTFFHFCPPTZIP-UHFFFAOYSA-N -1 3 388.198 3.231 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442246355 567687754 /nfs/dbraw/zinc/68/77/54/567687754.db2.gz ZWAZERACDLFALF-UHFFFAOYSA-N -1 3 395.836 3.213 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1OC ZINC000442251294 567688143 /nfs/dbraw/zinc/68/81/43/567688143.db2.gz MQMDHCLSUKEUSO-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000460453720 567688778 /nfs/dbraw/zinc/68/87/78/567688778.db2.gz JHPTWXWAIRECHU-UHFFFAOYSA-N -1 3 387.816 3.071 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnn(-c2ccccn2)c1 ZINC000531967408 567689540 /nfs/dbraw/zinc/68/95/40/567689540.db2.gz ILNKTKVWDRWFOF-UHFFFAOYSA-N -1 3 388.225 3.057 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)s1 ZINC000553831140 567689433 /nfs/dbraw/zinc/68/94/33/567689433.db2.gz KYMIOSBKUDJFLS-UHFFFAOYSA-N -1 3 398.403 3.319 20 0 GGADHM O=C(Nc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)N1CCCC1 ZINC000460447956 567689516 /nfs/dbraw/zinc/68/95/16/567689516.db2.gz ZJFXOLWNPWXQAE-UHFFFAOYSA-N -1 3 379.869 3.345 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)[C@@H]1OC ZINC000460496308 567690671 /nfs/dbraw/zinc/69/06/71/567690671.db2.gz YJMDLCQPQJMOHF-JMSVASOKSA-N -1 3 375.899 3.025 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000573131889 567691320 /nfs/dbraw/zinc/69/13/20/567691320.db2.gz ONMSDUBWAXEXAG-RFAUZJTJSA-N -1 3 386.242 3.389 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000481612465 567691392 /nfs/dbraw/zinc/69/13/92/567691392.db2.gz UNHPJHHUUJVZMS-VXGBXAGGSA-N -1 3 383.466 3.288 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(C)c(F)cc1Cl)c1ccccc1 ZINC000507639374 567691564 /nfs/dbraw/zinc/69/15/64/567691564.db2.gz WICGTTVWGPEVSC-ZDUSSCGKSA-N -1 3 385.844 3.486 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)Cc1ccccc1Br)c1ccco1 ZINC000553860460 567691662 /nfs/dbraw/zinc/69/16/62/567691662.db2.gz GIWGYUOVAARULT-AWEZNQCLSA-N -1 3 388.283 3.239 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000553852852 567692128 /nfs/dbraw/zinc/69/21/28/567692128.db2.gz LLSKORDSHZQMCT-GHMZBOCLSA-N -1 3 385.379 3.208 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000481613644 567692307 /nfs/dbraw/zinc/69/23/07/567692307.db2.gz OZNOCOLYJRNVRD-DGCLKSJQSA-N -1 3 383.466 3.288 20 0 GGADHM CCSc1n[n-]c(=NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)s1 ZINC000507652056 567692879 /nfs/dbraw/zinc/69/28/79/567692879.db2.gz HEDWUHFEFPECEQ-JSGCOSHPSA-N -1 3 377.539 3.029 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)s1 ZINC000553874502 567694090 /nfs/dbraw/zinc/69/40/90/567694090.db2.gz HRMVKRWYFXXUGN-UHFFFAOYSA-N -1 3 393.943 3.118 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000553883429 567694192 /nfs/dbraw/zinc/69/41/92/567694192.db2.gz NFXFJYMOLFCYAE-RBSFLKMASA-N -1 3 391.892 3.457 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000553883430 567694873 /nfs/dbraw/zinc/69/48/73/567694873.db2.gz NFXFJYMOLFCYAE-RRFJBIMHSA-N -1 3 391.892 3.457 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2c1cccc2Cl)c1ccc(F)cc1F ZINC000573190149 567695273 /nfs/dbraw/zinc/69/52/73/567695273.db2.gz BOCABMQUDOUISZ-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCSC(C)C ZINC000553892194 567695851 /nfs/dbraw/zinc/69/58/51/567695851.db2.gz SYMUTHRPHXOMCH-GFCCVEGCSA-N -1 3 381.947 3.174 20 0 GGADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1ccc(Br)s1 ZINC000443316627 567748385 /nfs/dbraw/zinc/74/83/85/567748385.db2.gz WDPPGFWBWUEYSF-LLVKDONJSA-N -1 3 382.345 3.120 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000553909549 567698924 /nfs/dbraw/zinc/69/89/24/567698924.db2.gz TYNAZSZUUCTZLV-BMLIUANNSA-N -1 3 385.844 3.429 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000553908596 567698963 /nfs/dbraw/zinc/69/89/63/567698963.db2.gz UEOUSWQXKQSMRF-CQSZACIVSA-N -1 3 379.787 3.159 20 0 GGADHM CC(C)c1ncc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000442662494 567700283 /nfs/dbraw/zinc/70/02/83/567700283.db2.gz ZSZHZSRXDVIJSQ-UHFFFAOYSA-N -1 3 393.285 3.410 20 0 GGADHM Cc1cc(C(=O)N=c2[nH][n-]cc2Br)nc(-c2ccc(Cl)cc2)n1 ZINC000646213915 567701161 /nfs/dbraw/zinc/70/11/61/567701161.db2.gz UAGCVMVLGNDMQL-UHFFFAOYSA-N -1 3 392.644 3.265 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)c(=O)[n-]1 ZINC000507713956 567701465 /nfs/dbraw/zinc/70/14/65/567701465.db2.gz MWJVNHWJCUCRNS-QMMMGPOBSA-N -1 3 382.233 3.121 20 0 GGADHM COc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c(Br)c1[O-] ZINC000573291543 567702023 /nfs/dbraw/zinc/70/20/23/567702023.db2.gz SOSOPAZLHKVHDJ-HNAYVOBHSA-N -1 3 392.293 3.419 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C(F)(F)F)cc2)nc1C ZINC000442726462 567702432 /nfs/dbraw/zinc/70/24/32/567702432.db2.gz COMGKZHGFIDIDO-LLVKDONJSA-N -1 3 375.416 3.312 20 0 GGADHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000442734333 567702522 /nfs/dbraw/zinc/70/25/22/567702522.db2.gz FQSRZXMAMCDPLN-UHFFFAOYSA-N -1 3 383.491 3.029 20 0 GGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000460822598 567703657 /nfs/dbraw/zinc/70/36/57/567703657.db2.gz GVVWKDCHAODRHS-UHFFFAOYSA-N -1 3 378.519 3.376 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1C ZINC000442746523 567704051 /nfs/dbraw/zinc/70/40/51/567704051.db2.gz SFMJJFYIATZTLZ-XHDPSFHLSA-N -1 3 379.503 3.445 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000442739235 567704240 /nfs/dbraw/zinc/70/42/40/567704240.db2.gz RUTNOEBYADSKLX-UHFFFAOYSA-N -1 3 385.532 3.352 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C1CCCC1 ZINC000442744349 567704404 /nfs/dbraw/zinc/70/44/04/567704404.db2.gz HFWRFWVPDDCURL-AWEZNQCLSA-N -1 3 389.539 3.107 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@@H]1C ZINC000442746521 567704479 /nfs/dbraw/zinc/70/44/79/567704479.db2.gz SFMJJFYIATZTLZ-NHYWBVRUSA-N -1 3 379.503 3.445 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1 ZINC000442755269 567705173 /nfs/dbraw/zinc/70/51/73/567705173.db2.gz XNNIZXRIODPXMU-CABCVRRESA-N -1 3 379.503 3.458 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000442755274 567705671 /nfs/dbraw/zinc/70/56/71/567705671.db2.gz XNNIZXRIODPXMU-LSDHHAIUSA-N -1 3 379.503 3.458 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(O)CCCC2(C)C)cc1Cl ZINC000573341266 567706226 /nfs/dbraw/zinc/70/62/26/567706226.db2.gz MSNAPCAYJINZSS-HNNXBMFYSA-N -1 3 382.309 3.222 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(O)CCCC2(C)C)cc1Cl ZINC000573341267 567706344 /nfs/dbraw/zinc/70/63/44/567706344.db2.gz MSNAPCAYJINZSS-OAHLLOKOSA-N -1 3 382.309 3.222 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(CC)CC ZINC000442762329 567706580 /nfs/dbraw/zinc/70/65/80/567706580.db2.gz QOUVUETYUZBGJP-CHWSQXEVSA-N -1 3 389.539 3.105 20 0 GGADHM Cc1sc(Br)c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1C ZINC000442765224 567706762 /nfs/dbraw/zinc/70/67/62/567706762.db2.gz HLZOVCLFIFALSA-UHFFFAOYSA-N -1 3 383.193 3.194 20 0 GGADHM Cc1sc(Br)c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1C ZINC000442765224 567706764 /nfs/dbraw/zinc/70/67/64/567706764.db2.gz HLZOVCLFIFALSA-UHFFFAOYSA-N -1 3 383.193 3.194 20 0 GGADHM Cc1sc(Br)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C ZINC000442765224 567706770 /nfs/dbraw/zinc/70/67/70/567706770.db2.gz HLZOVCLFIFALSA-UHFFFAOYSA-N -1 3 383.193 3.194 20 0 GGADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)CCO1 ZINC000442771490 567707931 /nfs/dbraw/zinc/70/79/31/567707931.db2.gz SECWNCNWQRNXKE-KGLIPLIRSA-N -1 3 389.539 3.105 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCCN1C1CCCCC1 ZINC000442770942 567707991 /nfs/dbraw/zinc/70/79/91/567707991.db2.gz YYAYNXURURLXCB-INIZCTEOSA-N -1 3 388.892 3.081 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCN1C1CCCCC1 ZINC000442768384 567708024 /nfs/dbraw/zinc/70/80/24/567708024.db2.gz LNLIVQUHZHURAP-CQSZACIVSA-N -1 3 388.892 3.081 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(F)c(Br)c2)CCCC1 ZINC000573376411 567708367 /nfs/dbraw/zinc/70/83/67/567708367.db2.gz AASBTOJILAWVTM-UHFFFAOYSA-N -1 3 394.262 3.063 20 0 GGADHM Cc1ccc(N=c2[n-]nc(SC[C@@H](O)CN(C)C3CC3)s2)cc1Cl ZINC000573378179 567708483 /nfs/dbraw/zinc/70/84/83/567708483.db2.gz WNHOOWSZCUTDFR-ZDUSSCGKSA-N -1 3 384.958 3.213 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(SC)oc2C)cc1OC ZINC000666865313 567708977 /nfs/dbraw/zinc/70/89/77/567708977.db2.gz KJEYFKQHWRDZTA-UHFFFAOYSA-N -1 3 384.479 3.332 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)s1 ZINC000460898005 567709053 /nfs/dbraw/zinc/70/90/53/567709053.db2.gz RYGPDHIABUYAIB-UHFFFAOYSA-N -1 3 387.939 3.490 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000460905870 567709122 /nfs/dbraw/zinc/70/91/22/567709122.db2.gz RJYRDAPUHCZOSQ-SECBINFHSA-N -1 3 396.460 3.121 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)s1 ZINC000460905706 567709332 /nfs/dbraw/zinc/70/93/32/567709332.db2.gz CEIDJUYBMFWBGG-SECBINFHSA-N -1 3 398.897 3.448 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)s1 ZINC000460896954 567709401 /nfs/dbraw/zinc/70/94/01/567709401.db2.gz PVKQFUZEUGEXGI-UHFFFAOYSA-N -1 3 385.458 3.394 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ncc(-c2cccc(C)c2)s1 ZINC000554109749 567709467 /nfs/dbraw/zinc/70/94/67/567709467.db2.gz HFGBZCABQBOPHZ-IUODEOHRSA-N -1 3 381.523 3.021 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000460905880 567709545 /nfs/dbraw/zinc/70/95/45/567709545.db2.gz RJYRDAPUHCZOSQ-VIFPVBQESA-N -1 3 396.460 3.121 20 0 GGADHM Cc1cc(I)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573383881 567709776 /nfs/dbraw/zinc/70/97/76/567709776.db2.gz JIKHWDFNOIUPJB-UHFFFAOYSA-N -1 3 395.200 3.225 20 0 GGADHM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)c1 ZINC000442818278 567709704 /nfs/dbraw/zinc/70/97/04/567709704.db2.gz ZZYWNCACEDYNJJ-GFCCVEGCSA-N -1 3 383.491 3.281 20 0 GGADHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000623441562 567709983 /nfs/dbraw/zinc/70/99/83/567709983.db2.gz AQDCTLKYLYBSOH-UHFFFAOYSA-N -1 3 388.258 3.384 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)s1 ZINC000460940762 567710562 /nfs/dbraw/zinc/71/05/62/567710562.db2.gz QKSZVYLSOBANCT-UHFFFAOYSA-N -1 3 387.324 3.436 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000460920796 567710720 /nfs/dbraw/zinc/71/07/20/567710720.db2.gz FWDJANMCBOJNQK-WFASDCNBSA-N -1 3 390.889 3.307 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)s1 ZINC000460924433 567710776 /nfs/dbraw/zinc/71/07/76/567710776.db2.gz PZWJIVKEMJGLBI-HNNXBMFYSA-N -1 3 382.507 3.067 20 0 GGADHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000573409210 567710909 /nfs/dbraw/zinc/71/09/09/567710909.db2.gz PVGWGOFTJQYPRV-SECBINFHSA-N -1 3 394.280 3.094 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000460920792 567711133 /nfs/dbraw/zinc/71/11/33/567711133.db2.gz FWDJANMCBOJNQK-SWLSCSKDSA-N -1 3 390.889 3.307 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000442840842 567711233 /nfs/dbraw/zinc/71/12/33/567711233.db2.gz FBZZCMXDOHYDPQ-GFCCVEGCSA-N -1 3 392.279 3.262 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccccc1CSC)c1ccccc1 ZINC000507874302 567711893 /nfs/dbraw/zinc/71/18/93/567711893.db2.gz CDVCUINSBHFAOX-MRXNPFEDSA-N -1 3 379.503 3.248 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)s1 ZINC000460943157 567711918 /nfs/dbraw/zinc/71/19/18/567711918.db2.gz IUSDEFYMLZQYNQ-UHFFFAOYSA-N -1 3 380.413 3.125 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507876939 567712072 /nfs/dbraw/zinc/71/20/72/567712072.db2.gz TYURHHDIWISPIZ-NSHDSACASA-N -1 3 397.781 3.428 20 0 GGADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)c1F ZINC000442842679 567712247 /nfs/dbraw/zinc/71/22/47/567712247.db2.gz OWBPIILUQYFYDP-UHFFFAOYSA-N -1 3 391.417 3.321 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1Br ZINC000507861459 567712342 /nfs/dbraw/zinc/71/23/42/567712342.db2.gz HSMDUPYPGZDCGO-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000442843879 567712343 /nfs/dbraw/zinc/71/23/43/567712343.db2.gz QQPKIULBWSQBTP-LBPRGKRZSA-N -1 3 392.279 3.262 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](C)Sc1ccccc1 ZINC000442841475 567712465 /nfs/dbraw/zinc/71/24/65/567712465.db2.gz AHYZJFUYXVQKHR-GFCCVEGCSA-N -1 3 383.466 3.071 20 0 GGADHM CC[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cn1 ZINC000442864621 567712494 /nfs/dbraw/zinc/71/24/94/567712494.db2.gz DEOGOCIZVBGYJM-AWEZNQCLSA-N -1 3 389.855 3.032 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000442844976 567712670 /nfs/dbraw/zinc/71/26/70/567712670.db2.gz HBVUIJKUBCFHIM-LBPRGKRZSA-N -1 3 383.466 3.071 20 0 GGADHM COc1ccccc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442863999 567712866 /nfs/dbraw/zinc/71/28/66/567712866.db2.gz BIMPMALMMIKUGS-LBPRGKRZSA-N -1 3 386.876 3.117 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(SC)ccc1C)c1ccccc1 ZINC000507891529 567713433 /nfs/dbraw/zinc/71/34/33/567713433.db2.gz IPEXPDHAQGMIQW-INIZCTEOSA-N -1 3 379.503 3.415 20 0 GGADHM CSc1ccccc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442878412 567713955 /nfs/dbraw/zinc/71/39/55/567713955.db2.gz SZSNXWWXPVVYHM-GFCCVEGCSA-N -1 3 386.489 3.316 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2cc(F)ccc21)c1ccc(Cl)cc1F ZINC000442890610 567715879 /nfs/dbraw/zinc/71/58/79/567715879.db2.gz PFFQGNVHYOGCEC-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1F ZINC000507916807 567716420 /nfs/dbraw/zinc/71/64/20/567716420.db2.gz DQLDPGJJXHKLHL-UHFFFAOYSA-N -1 3 389.807 3.389 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2cc(F)ccc21)c1ccc(Cl)cc1F ZINC000442890607 567716477 /nfs/dbraw/zinc/71/64/77/567716477.db2.gz PFFQGNVHYOGCEC-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(OC(C)C)cc1 ZINC000442912166 567716871 /nfs/dbraw/zinc/71/68/71/567716871.db2.gz ISRNSYFUTNVDBA-UHFFFAOYSA-N -1 3 383.491 3.109 20 0 GGADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000507936522 567717218 /nfs/dbraw/zinc/71/72/18/567717218.db2.gz QLXQDGWDTRRKFV-UHFFFAOYSA-N -1 3 382.642 3.084 20 0 GGADHM COc1ccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c(Br)c1[O-] ZINC000623522665 567717605 /nfs/dbraw/zinc/71/76/05/567717605.db2.gz RIILAHPZWQUQTF-ZDUSSCGKSA-N -1 3 394.191 3.290 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC(C)(C)C2)cc1 ZINC000507940414 567717628 /nfs/dbraw/zinc/71/76/28/567717628.db2.gz YCBNVESBXVOBOD-HNNXBMFYSA-N -1 3 388.555 3.085 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)CCc3cccc(Cl)c3)c(F)cc2N1 ZINC000507948128 567717643 /nfs/dbraw/zinc/71/76/43/567717643.db2.gz BDZMZIRBESOXKA-UHFFFAOYSA-N -1 3 382.844 3.348 20 0 GGADHM COc1ccc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c(Br)c1[O-] ZINC000623522664 567717906 /nfs/dbraw/zinc/71/79/06/567717906.db2.gz RIILAHPZWQUQTF-CYBMUJFWSA-N -1 3 394.191 3.290 20 0 GGADHM CC(C)SCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000554248277 567717923 /nfs/dbraw/zinc/71/79/23/567717923.db2.gz OEEPNDCJFDIIFU-UHFFFAOYSA-N -1 3 391.534 3.166 20 0 GGADHM COc1ccc(Cl)cc1CC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000461039258 567718281 /nfs/dbraw/zinc/71/82/81/567718281.db2.gz YLPLOABXNMYZCM-UHFFFAOYSA-N -1 3 382.869 3.210 20 0 GGADHM CSc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000442937389 567718682 /nfs/dbraw/zinc/71/86/82/567718682.db2.gz CCIMHMSMIWPREH-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM CSc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000442937389 567718688 /nfs/dbraw/zinc/71/86/88/567718688.db2.gz CCIMHMSMIWPREH-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442948609 567718797 /nfs/dbraw/zinc/71/87/97/567718797.db2.gz UYCCJRFDJXHZCU-UHFFFAOYSA-N -1 3 377.857 3.124 20 0 GGADHM CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442948609 567718798 /nfs/dbraw/zinc/71/87/98/567718798.db2.gz UYCCJRFDJXHZCU-UHFFFAOYSA-N -1 3 377.857 3.124 20 0 GGADHM CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442940392 567719113 /nfs/dbraw/zinc/71/91/13/567719113.db2.gz KPHPRLJWOQCVBU-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442940392 567719119 /nfs/dbraw/zinc/71/91/19/567719119.db2.gz KPHPRLJWOQCVBU-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C2)c(Br)c1 ZINC000507977363 567719817 /nfs/dbraw/zinc/71/98/17/567719817.db2.gz AJERSWTVRIFCNF-LLVKDONJSA-N -1 3 390.299 3.093 20 0 GGADHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1F ZINC000507968265 567719950 /nfs/dbraw/zinc/71/99/50/567719950.db2.gz ZUBKPUWAWZZGJC-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM Cc1cc(Cl)c([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)cc1Cl ZINC000507977043 567720245 /nfs/dbraw/zinc/72/02/45/567720245.db2.gz ZOOMVVXGVCAGQN-UHFFFAOYSA-N -1 3 377.249 3.397 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)cn1 ZINC000507971791 567720338 /nfs/dbraw/zinc/72/03/38/567720338.db2.gz SUSPFURHIQIGJX-UHFFFAOYSA-N -1 3 383.267 3.142 20 0 GGADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000532509745 567720499 /nfs/dbraw/zinc/72/04/99/567720499.db2.gz NKWZNABPELBRIZ-UHFFFAOYSA-N -1 3 379.254 3.471 20 0 GGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1 ZINC000461112951 567720848 /nfs/dbraw/zinc/72/08/48/567720848.db2.gz NYUKGNZPSCSCEF-QFIPXVFZSA-N -1 3 375.874 3.467 20 0 GGADHM Cc1ccccc1C(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000507999483 567721496 /nfs/dbraw/zinc/72/14/96/567721496.db2.gz JHWRLSWVYJCNFG-UHFFFAOYSA-N -1 3 386.926 3.040 20 0 GGADHM Cc1cn2c(CNC(=O)c3n[n-]c(C4CC4)c3Br)c(C)nc2s1 ZINC000646511934 567721868 /nfs/dbraw/zinc/72/18/68/567721868.db2.gz OTUQLKFVSBKEQD-UHFFFAOYSA-N -1 3 394.298 3.306 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000508028417 567722183 /nfs/dbraw/zinc/72/21/83/567722183.db2.gz JPOZPUZWFZZVHZ-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000508009936 567722652 /nfs/dbraw/zinc/72/26/52/567722652.db2.gz ULCREDPSEFKYOS-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM Cn1cnc2cc([N-]S(=O)(=O)CCc3ccccc3Br)ccc21 ZINC000461116508 567723045 /nfs/dbraw/zinc/72/30/45/567723045.db2.gz LJOTWGNBRHXIFD-UHFFFAOYSA-N -1 3 394.294 3.320 20 0 GGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(Cl)c1 ZINC000508066573 567723900 /nfs/dbraw/zinc/72/39/00/567723900.db2.gz CSKNMFSGDOBRSX-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000508040673 567724165 /nfs/dbraw/zinc/72/41/65/567724165.db2.gz WPABHRJFUGRRTK-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1oc2ccccc2c1C ZINC000443013442 567724253 /nfs/dbraw/zinc/72/42/53/567724253.db2.gz MNWLKLLYQVSTJW-SNVBAGLBSA-N -1 3 380.447 3.024 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F ZINC000443013802 567724902 /nfs/dbraw/zinc/72/49/02/567724902.db2.gz OAJUYRAUOHYJIU-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2c(C)cc(C(=O)OC)cc2Cl)c1 ZINC000508069623 567725022 /nfs/dbraw/zinc/72/50/22/567725022.db2.gz RWOZNJMDURRLSI-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000461215325 567725144 /nfs/dbraw/zinc/72/51/44/567725144.db2.gz BJYSEYZKXFPARX-SNVBAGLBSA-N -1 3 399.563 3.124 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000508069985 567725178 /nfs/dbraw/zinc/72/51/78/567725178.db2.gz TYVLIGPNOYTWEU-NSHDSACASA-N -1 3 377.306 3.014 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000461215324 567725225 /nfs/dbraw/zinc/72/52/25/567725225.db2.gz BJYSEYZKXFPARX-JTQLQIEISA-N -1 3 399.563 3.124 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1Cl ZINC000508067324 567725584 /nfs/dbraw/zinc/72/55/84/567725584.db2.gz IWZRKQNOXYQMKT-UHFFFAOYSA-N -1 3 381.828 3.373 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNCc2cncs2)cc1 ZINC000532627401 567726234 /nfs/dbraw/zinc/72/62/34/567726234.db2.gz OLTGYICZQLZGBX-UHFFFAOYSA-N -1 3 377.466 3.373 20 0 GGADHM CC(C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Br ZINC000573624376 567726426 /nfs/dbraw/zinc/72/64/26/567726426.db2.gz WOEGAIMQFMUACN-UHFFFAOYSA-N -1 3 376.254 3.487 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000508081356 567726917 /nfs/dbraw/zinc/72/69/17/567726917.db2.gz CCNDLDQXGRIXQS-UHFFFAOYSA-N -1 3 391.823 3.428 20 0 GGADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(Cl)c1 ZINC000508088349 567728008 /nfs/dbraw/zinc/72/80/08/567728008.db2.gz ZVBVPOJJIZEQLX-UHFFFAOYSA-N -1 3 381.837 3.266 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000532673452 567728050 /nfs/dbraw/zinc/72/80/50/567728050.db2.gz IYLZIDQTXOXZEV-MRXNPFEDSA-N -1 3 384.567 3.378 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000532677180 567728579 /nfs/dbraw/zinc/72/85/79/567728579.db2.gz YEOXPNVECFFTKI-CXAGYDPISA-N -1 3 385.482 3.213 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(Br)c1[O-] ZINC000532687069 567728794 /nfs/dbraw/zinc/72/87/94/567728794.db2.gz OIMLWLIFKDHVSV-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1 ZINC000508095733 567728806 /nfs/dbraw/zinc/72/88/06/567728806.db2.gz OTQCVURNYQAWGW-HNNXBMFYSA-N -1 3 381.416 3.111 20 0 GGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000532677186 567728935 /nfs/dbraw/zinc/72/89/35/567728935.db2.gz YEOXPNVECFFTKI-DYVFJYSZSA-N -1 3 385.482 3.213 20 0 GGADHM CCn1nc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1C ZINC000508095298 567729040 /nfs/dbraw/zinc/72/90/40/567729040.db2.gz KQXQHSVPQFVDGM-UHFFFAOYSA-N -1 3 393.694 3.132 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2Br)cc1 ZINC000461333843 567729521 /nfs/dbraw/zinc/72/95/21/567729521.db2.gz TXMUHPPQEBMSJE-UHFFFAOYSA-N -1 3 398.278 3.220 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCOCC(C)C ZINC000443085872 567729717 /nfs/dbraw/zinc/72/97/17/567729717.db2.gz DHWLEYZPQJGNBO-UHFFFAOYSA-N -1 3 385.507 3.029 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1Cl ZINC000443084534 567730202 /nfs/dbraw/zinc/73/02/02/567730202.db2.gz HPQNSWQILLBTQH-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000443093196 567731099 /nfs/dbraw/zinc/73/10/99/567731099.db2.gz LZKIFVMZKFEVHA-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(C)C ZINC000443096596 567731314 /nfs/dbraw/zinc/73/13/14/567731314.db2.gz VWXFENVTUTZINO-ZDUSSCGKSA-N -1 3 388.898 3.259 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000443097893 567731524 /nfs/dbraw/zinc/73/15/24/567731524.db2.gz VTFKNEIIWILPJW-MRXNPFEDSA-N -1 3 379.865 3.483 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461349595 567732049 /nfs/dbraw/zinc/73/20/49/567732049.db2.gz XDAYGCPCUBTENE-UHFFFAOYSA-N -1 3 398.278 3.220 20 0 GGADHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443110746 567732364 /nfs/dbraw/zinc/73/23/64/567732364.db2.gz OHZAIYPPGZAFMX-CYBMUJFWSA-N -1 3 387.910 3.488 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@H]1C ZINC000443109515 567732377 /nfs/dbraw/zinc/73/23/77/567732377.db2.gz PNTIHAXWGUUKGO-IUODEOHRSA-N -1 3 389.901 3.000 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@H]1C ZINC000443109514 567732476 /nfs/dbraw/zinc/73/24/76/567732476.db2.gz PNTIHAXWGUUKGO-DOMZBBRYSA-N -1 3 389.901 3.000 20 0 GGADHM CCCCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000573731744 567732460 /nfs/dbraw/zinc/73/24/60/567732460.db2.gz AHAMQFFMQIZBCJ-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@@H]1C ZINC000443109518 567732679 /nfs/dbraw/zinc/73/26/79/567732679.db2.gz PNTIHAXWGUUKGO-WFASDCNBSA-N -1 3 389.901 3.000 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000443105849 567732710 /nfs/dbraw/zinc/73/27/10/567732710.db2.gz XGJMQINCQNLJNT-ZDUSSCGKSA-N -1 3 381.881 3.426 20 0 GGADHM NC(=O)COc1cccc(NC(=O)c2cc3cc(Br)sc3[n-]2)c1 ZINC000646623994 567732700 /nfs/dbraw/zinc/73/27/00/567732700.db2.gz SAHISNUIDLTIOX-UHFFFAOYSA-N -1 3 394.250 3.108 20 0 GGADHM O=C(Nc1ccc(=O)[nH]c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000461397047 567733570 /nfs/dbraw/zinc/73/35/70/567733570.db2.gz RQAJYXYKMNCMDN-UHFFFAOYSA-N -1 3 394.612 3.297 20 0 GGADHM O=C(Nc1ccc(=O)[nH]c1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000461397047 567733572 /nfs/dbraw/zinc/73/35/72/567733572.db2.gz RQAJYXYKMNCMDN-UHFFFAOYSA-N -1 3 394.612 3.297 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000443125773 567733702 /nfs/dbraw/zinc/73/37/02/567733702.db2.gz WSLIKRGXFAXJGP-SNVBAGLBSA-N -1 3 387.910 3.406 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000443125767 567734179 /nfs/dbraw/zinc/73/41/79/567734179.db2.gz WSLIKRGXFAXJGP-JTQLQIEISA-N -1 3 387.910 3.406 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)cc1Cl ZINC000532775324 567734870 /nfs/dbraw/zinc/73/48/70/567734870.db2.gz KHNQWHUINROHOK-CQSZACIVSA-N -1 3 390.288 3.322 20 0 GGADHM O=S(=O)([N-]C[C@H](O)COc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000532774788 567734937 /nfs/dbraw/zinc/73/49/37/567734937.db2.gz MMBFDBBODZHTBG-AWEZNQCLSA-N -1 3 397.905 3.273 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000532775584 567735002 /nfs/dbraw/zinc/73/50/02/567735002.db2.gz ILGGEUQNEHBOIA-OAHLLOKOSA-N -1 3 383.828 3.232 20 0 GGADHM CCOC(=O)C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(F)(F)F ZINC000598046786 567735406 /nfs/dbraw/zinc/73/54/06/567735406.db2.gz HOCVUIOBFNVPDV-VIFPVBQESA-N -1 3 395.790 3.406 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1c(F)cc(C(C)=O)cc1F ZINC000443133315 567735502 /nfs/dbraw/zinc/73/55/02/567735502.db2.gz MRRZFZQSTLTPFU-UHFFFAOYSA-N -1 3 389.401 3.125 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F)c1 ZINC000508183829 567735677 /nfs/dbraw/zinc/73/56/77/567735677.db2.gz ZVSRLEOIIBBTPY-IAQYHMDHSA-N -1 3 381.416 3.048 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000532790307 567736178 /nfs/dbraw/zinc/73/61/78/567736178.db2.gz KWTBQPFVKFKLOW-RYUDHWBXSA-N -1 3 378.947 3.012 20 0 GGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000443153748 567736325 /nfs/dbraw/zinc/73/63/25/567736325.db2.gz FAFGZFQZOFMNDK-QWRGUYRKSA-N -1 3 382.707 3.338 20 0 GGADHM CC[C@@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)OC ZINC000461463786 567737969 /nfs/dbraw/zinc/73/79/69/567737969.db2.gz NNCZDKNIQFRDIH-VIFPVBQESA-N -1 3 387.661 3.099 20 0 GGADHM CC[C@@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])OC ZINC000461463786 567737973 /nfs/dbraw/zinc/73/79/73/567737973.db2.gz NNCZDKNIQFRDIH-VIFPVBQESA-N -1 3 387.661 3.099 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ccccc1F ZINC000461470987 567738328 /nfs/dbraw/zinc/73/83/28/567738328.db2.gz LAICEDRUHYECPG-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2csc3ccccc23)c(C)o1 ZINC000532853133 567738399 /nfs/dbraw/zinc/73/83/99/567738399.db2.gz IIRYTBXQTIDXJR-UHFFFAOYSA-N -1 3 379.459 3.110 20 0 GGADHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000443192892 567738897 /nfs/dbraw/zinc/73/88/97/567738897.db2.gz LDSWSHBHDDSZSE-LBPRGKRZSA-N -1 3 390.288 3.020 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1ccc(F)cc1Br ZINC000443210560 567739770 /nfs/dbraw/zinc/73/97/70/567739770.db2.gz JHKIWPMUMZQOGZ-ZDUSSCGKSA-N -1 3 386.242 3.260 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c(C)o1 ZINC000532854037 567739985 /nfs/dbraw/zinc/73/99/85/567739985.db2.gz BETPUZXUYUFRAW-GFCCVEGCSA-N -1 3 385.438 3.029 20 0 GGADHM O=S(=O)([N-]Cc1csc(CCc2ccccc2)n1)c1cncc(Cl)c1 ZINC000532856175 567740051 /nfs/dbraw/zinc/74/00/51/567740051.db2.gz NZVAZKVWJXZPLD-UHFFFAOYSA-N -1 3 393.921 3.455 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)sc1Br ZINC000443212639 567740128 /nfs/dbraw/zinc/74/01/28/567740128.db2.gz MPJFSQULHQRZQW-NSHDSACASA-N -1 3 388.308 3.490 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1cc(F)ccc1Br ZINC000443208142 567740379 /nfs/dbraw/zinc/74/03/79/567740379.db2.gz APOMOZHIUNQIIT-ZDUSSCGKSA-N -1 3 386.242 3.260 20 0 GGADHM COc1cccc(N2C[C@@H](NCc3cc([O-])ccc3Br)CC2=O)c1 ZINC000532886618 567740887 /nfs/dbraw/zinc/74/08/87/567740887.db2.gz VBAJQRCNFWDVQD-ZDUSSCGKSA-N -1 3 391.265 3.058 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc2cc(Br)sc2[n-]1 ZINC000646782707 567741154 /nfs/dbraw/zinc/74/11/54/567741154.db2.gz MWSLTHNBPDZWCY-UHFFFAOYSA-N -1 3 376.235 3.488 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000443221724 567741122 /nfs/dbraw/zinc/74/11/22/567741122.db2.gz MAVVWUDIQHHYSS-HNNXBMFYSA-N -1 3 379.865 3.277 20 0 GGADHM O=C(Cc1cccnc1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000532898396 567742687 /nfs/dbraw/zinc/74/26/87/567742687.db2.gz TXTCPKHIHQTKTA-UHFFFAOYSA-N -1 3 391.656 3.491 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000443244402 567743358 /nfs/dbraw/zinc/74/33/58/567743358.db2.gz HFMDBHAYAXRIFS-LLVKDONJSA-N -1 3 385.507 3.170 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443259803 567743677 /nfs/dbraw/zinc/74/36/77/567743677.db2.gz BHXHBFKBXNFIKG-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1ccc(F)cc1Br ZINC000443265809 567743693 /nfs/dbraw/zinc/74/36/93/567743693.db2.gz ASTCGBYKSZGDHT-UHFFFAOYSA-N -1 3 388.258 3.205 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c(Cl)c1Cl ZINC000443267794 567744110 /nfs/dbraw/zinc/74/41/10/567744110.db2.gz HFXUOGMVHNDFLC-NSHDSACASA-N -1 3 394.251 3.153 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)sc1Br ZINC000443264345 567744209 /nfs/dbraw/zinc/74/42/09/567744209.db2.gz DORSRBAYTIKHGA-UHFFFAOYSA-N -1 3 390.324 3.436 20 0 GGADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000573916871 567744198 /nfs/dbraw/zinc/74/41/98/567744198.db2.gz YPJGPQVKMUOJAT-UHFFFAOYSA-N -1 3 382.707 3.137 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000554707115 567744557 /nfs/dbraw/zinc/74/45/57/567744557.db2.gz DFFZEEIUVXIWNF-BZNIZROVSA-N -1 3 382.279 3.391 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c1Cl ZINC000443278184 567744667 /nfs/dbraw/zinc/74/46/67/567744667.db2.gz QIIOQHXKJOSFIF-CYBMUJFWSA-N -1 3 378.252 3.453 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)c1cc(Cl)cc(Cl)c1 ZINC000443272263 567744846 /nfs/dbraw/zinc/74/48/46/567744846.db2.gz TWCMGPGQYRXINO-ZDUSSCGKSA-N -1 3 382.215 3.284 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000443277617 567744867 /nfs/dbraw/zinc/74/48/67/567744867.db2.gz WHIRTMNTOLHQIZ-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCO1 ZINC000554722742 567744947 /nfs/dbraw/zinc/74/49/47/567744947.db2.gz ZHYMDPHNMCHMKZ-KRWDZBQOSA-N -1 3 393.281 3.178 20 0 GGADHM CCOCC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CC1 ZINC000443278695 567745181 /nfs/dbraw/zinc/74/51/81/567745181.db2.gz WPPGFFHOQLTPTE-UHFFFAOYSA-N -1 3 382.233 3.155 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)s1 ZINC000443277169 567745248 /nfs/dbraw/zinc/74/52/48/567745248.db2.gz SAJAPRDOCLQVPH-LBPRGKRZSA-N -1 3 375.462 3.336 20 0 GGADHM COc1cc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)ccc1[O-] ZINC000443288093 567745865 /nfs/dbraw/zinc/74/58/65/567745865.db2.gz SYDHQKNCANGXBQ-NSHDSACASA-N -1 3 380.238 3.361 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443299557 567746189 /nfs/dbraw/zinc/74/61/89/567746189.db2.gz RSHYQQMQQYHTFF-ZANVPECISA-N -1 3 384.723 3.178 20 0 GGADHM O=C([N-]Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000443295105 567746297 /nfs/dbraw/zinc/74/62/97/567746297.db2.gz MXUJZWTUFITBLC-UHFFFAOYSA-N -1 3 399.728 3.348 20 0 GGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(F)cc1 ZINC000573944567 567746605 /nfs/dbraw/zinc/74/66/05/567746605.db2.gz BDGBSIITGLNASB-AWEZNQCLSA-N -1 3 392.830 3.339 20 0 GGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443310473 567747277 /nfs/dbraw/zinc/74/72/77/567747277.db2.gz JJRPPSANVQHRJU-NSHDSACASA-N -1 3 387.548 3.498 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443304736 567747568 /nfs/dbraw/zinc/74/75/68/567747568.db2.gz ULMIAHGLPXTFEB-RNCFNFMXSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)CC1CCCC1)c1ccc(F)cc1Br ZINC000461788571 567748231 /nfs/dbraw/zinc/74/82/31/567748231.db2.gz ACXMFPPBXLYUPL-GFCCVEGCSA-N -1 3 394.306 3.055 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)CC1CCCC1)c1ccc(F)cc1Br ZINC000461788572 567748251 /nfs/dbraw/zinc/74/82/51/567748251.db2.gz ACXMFPPBXLYUPL-LBPRGKRZSA-N -1 3 394.306 3.055 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000443324649 567748270 /nfs/dbraw/zinc/74/82/70/567748270.db2.gz YKPVIHQJXIGACP-SECBINFHSA-N -1 3 398.308 3.324 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443322086 567748354 /nfs/dbraw/zinc/74/83/54/567748354.db2.gz RHVBMQBZYLQJGX-GXSJLCMTSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000443319219 567748531 /nfs/dbraw/zinc/74/85/31/567748531.db2.gz WIMAXJBFMAPMRA-AWEZNQCLSA-N -1 3 383.407 3.454 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000443316501 567748592 /nfs/dbraw/zinc/74/85/92/567748592.db2.gz VXXYQVJWSROYPV-UHFFFAOYSA-N -1 3 398.275 3.443 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000443316501 567748595 /nfs/dbraw/zinc/74/85/95/567748595.db2.gz VXXYQVJWSROYPV-UHFFFAOYSA-N -1 3 398.275 3.443 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000443316501 567748602 /nfs/dbraw/zinc/74/86/02/567748602.db2.gz VXXYQVJWSROYPV-UHFFFAOYSA-N -1 3 398.275 3.443 20 0 GGADHM Cc1cc2cc(C(=O)N3CCc4c(=O)[n-]cnc4C3)oc2c(Br)c1 ZINC000554776358 567748902 /nfs/dbraw/zinc/74/89/02/567748902.db2.gz PZENXBHMIZHMJB-UHFFFAOYSA-N -1 3 388.221 3.198 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cn1 ZINC000554793451 567748963 /nfs/dbraw/zinc/74/89/63/567748963.db2.gz LKINMDTZAQAXSN-UHFFFAOYSA-N -1 3 385.232 3.014 20 0 GGADHM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(Br)cc1[O-])C(N)=O ZINC000554784894 567749006 /nfs/dbraw/zinc/74/90/06/567749006.db2.gz IOLOXIMQCMUAGA-SECBINFHSA-N -1 3 395.278 3.373 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)Nc1ccc(Br)cc1[O-])C(N)=O ZINC000554784895 567749078 /nfs/dbraw/zinc/74/90/78/567749078.db2.gz IOLOXIMQCMUAGA-VIFPVBQESA-N -1 3 395.278 3.373 20 0 GGADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000461823196 567749283 /nfs/dbraw/zinc/74/92/83/567749283.db2.gz XQQZAGHUTUEPKH-ILXRZTDVSA-N -1 3 387.929 3.470 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C ZINC000443336312 567749223 /nfs/dbraw/zinc/74/92/23/567749223.db2.gz REBFDMWLBSXFRB-ZDUSSCGKSA-N -1 3 385.507 3.027 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443333365 567749473 /nfs/dbraw/zinc/74/94/73/567749473.db2.gz JUSVWCNLPJBXGQ-GXSJLCMTSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000574003435 567749664 /nfs/dbraw/zinc/74/96/64/567749664.db2.gz XCKASWYFUOYLDW-LLVKDONJSA-N -1 3 389.857 3.293 20 0 GGADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000461802685 567749899 /nfs/dbraw/zinc/74/98/99/567749899.db2.gz USACZBQGJXZDNX-KGLIPLIRSA-N -1 3 386.583 3.167 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443333371 567750105 /nfs/dbraw/zinc/75/01/05/567750105.db2.gz JUSVWCNLPJBXGQ-MWLCHTKSSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc3ccncc3s2)CC1)c1cccs1 ZINC000667492779 567750400 /nfs/dbraw/zinc/75/04/00/567750400.db2.gz WAJNSWKZAKKEDT-UHFFFAOYSA-N -1 3 393.559 3.301 20 0 GGADHM C[C@@H]1[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)C1(F)F ZINC000461872773 567750575 /nfs/dbraw/zinc/75/05/75/567750575.db2.gz XFZTXAMUXSQQAD-ANLVUFKYSA-N -1 3 375.148 3.213 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)c(Cl)c1Cl ZINC000443358644 567750742 /nfs/dbraw/zinc/75/07/42/567750742.db2.gz QLTHZEXWFRAYHK-IUODEOHRSA-N -1 3 382.309 3.222 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000443352576 567751028 /nfs/dbraw/zinc/75/10/28/567751028.db2.gz QWAWVJHVUOFGKR-NXEZZACHSA-N -1 3 385.429 3.182 20 0 GGADHM C[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)s1 ZINC000443353724 567751497 /nfs/dbraw/zinc/75/14/97/567751497.db2.gz HDLPCVHNTJBXMD-ZCFIWIBFSA-N -1 3 395.229 3.150 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)c(Cl)c1Cl ZINC000443358647 567751538 /nfs/dbraw/zinc/75/15/38/567751538.db2.gz QLTHZEXWFRAYHK-SWLSCSKDSA-N -1 3 382.309 3.222 20 0 GGADHM CCOCCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000533100927 567751911 /nfs/dbraw/zinc/75/19/11/567751911.db2.gz BQTDVQWXETYMON-UHFFFAOYSA-N -1 3 393.281 3.227 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000443365219 567752051 /nfs/dbraw/zinc/75/20/51/567752051.db2.gz CPPDBCBMCZATSQ-UHFFFAOYSA-N -1 3 383.466 3.121 20 0 GGADHM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000443375655 567752407 /nfs/dbraw/zinc/75/24/07/567752407.db2.gz OPUWTCOXOMMDAP-UHFFFAOYSA-N -1 3 381.519 3.353 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000533097825 567752458 /nfs/dbraw/zinc/75/24/58/567752458.db2.gz FRSUEYPQIMIOHT-NSHDSACASA-N -1 3 377.491 3.497 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)cc1Cl ZINC000443374987 567752843 /nfs/dbraw/zinc/75/28/43/567752843.db2.gz QSZOYQUUKMVMTM-ZDUSSCGKSA-N -1 3 382.309 3.222 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCC[C@H]1O ZINC000443375643 567752851 /nfs/dbraw/zinc/75/28/51/567752851.db2.gz OOHGLYRHQCHFKA-ZIAGYGMSSA-N -1 3 396.734 3.322 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC(C)C ZINC000443362649 567752887 /nfs/dbraw/zinc/75/28/87/567752887.db2.gz ZGBBOFKIXSROAM-UHFFFAOYSA-N -1 3 383.491 3.109 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000443391640 567754037 /nfs/dbraw/zinc/75/40/37/567754037.db2.gz VIGVSWIKZVMPPI-VIFPVBQESA-N -1 3 376.297 3.126 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)s1 ZINC000443389101 567754098 /nfs/dbraw/zinc/75/40/98/567754098.db2.gz QYIFGJFHKGPEHN-VIFPVBQESA-N -1 3 390.324 3.434 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000533179309 567755944 /nfs/dbraw/zinc/75/59/44/567755944.db2.gz GRICTNDMOOYKQU-SECBINFHSA-N -1 3 391.237 3.032 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(Br)c1)c1cncc(Cl)c1 ZINC000533174286 567756202 /nfs/dbraw/zinc/75/62/02/567756202.db2.gz XAAKCMLZWQWDQF-KBPBESRZSA-N -1 3 387.686 3.332 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]Cc2ccc3sccc3c2)s1 ZINC000554914065 567756353 /nfs/dbraw/zinc/75/63/53/567756353.db2.gz ZBAGQWHOMRNCTB-UHFFFAOYSA-N -1 3 397.499 3.237 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000533176705 567756695 /nfs/dbraw/zinc/75/66/95/567756695.db2.gz SWEJDKNJSZPLDP-SECBINFHSA-N -1 3 380.413 3.432 20 0 GGADHM CCOc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000574097830 567756685 /nfs/dbraw/zinc/75/66/85/567756685.db2.gz FLQWWWRYKIJTNP-UHFFFAOYSA-N -1 3 378.226 3.473 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(Br)c1)c1cncc(Cl)c1 ZINC000533174289 567756871 /nfs/dbraw/zinc/75/68/71/567756871.db2.gz XAAKCMLZWQWDQF-ZIAGYGMSSA-N -1 3 387.686 3.332 20 0 GGADHM O=S(=O)([N-]CCc1csc(-c2ccccc2)n1)c1cncc(Cl)c1 ZINC000533175014 567756906 /nfs/dbraw/zinc/75/69/06/567756906.db2.gz WGNDBAHCICZXTR-UHFFFAOYSA-N -1 3 379.894 3.380 20 0 GGADHM NC(=O)c1ccc(CN(Cc2cc([O-])ccc2Br)C2CC2)cc1 ZINC000508597244 567757104 /nfs/dbraw/zinc/75/71/04/567757104.db2.gz WXUGLFSAPCCMGJ-UHFFFAOYSA-N -1 3 375.266 3.418 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000533202802 567759251 /nfs/dbraw/zinc/75/92/51/567759251.db2.gz LDOBSHYGIKMYNS-UHFFFAOYSA-N -1 3 385.942 3.048 20 0 GGADHM COC[C@@H](C)[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000462027407 567759503 /nfs/dbraw/zinc/75/95/03/567759503.db2.gz MOYMUIHDLOCINQ-ZJUUUORDSA-N -1 3 384.249 3.257 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ccc2c1 ZINC000554968144 567760164 /nfs/dbraw/zinc/76/01/64/567760164.db2.gz MDRKZTRVWZMOGV-UHFFFAOYSA-N -1 3 398.271 3.392 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)s1 ZINC000554963119 567760439 /nfs/dbraw/zinc/76/04/39/567760439.db2.gz ZWAOZTRLXJPCHM-KRWDZBQOSA-N -1 3 378.519 3.078 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000443491905 567761388 /nfs/dbraw/zinc/76/13/88/567761388.db2.gz ZCNKSAJQDMHDNT-INIZCTEOSA-N -1 3 385.532 3.252 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000443491906 567761617 /nfs/dbraw/zinc/76/16/17/567761617.db2.gz ZCNKSAJQDMHDNT-MRXNPFEDSA-N -1 3 385.532 3.252 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Sc2ncccn2)cc1C)C(C)C ZINC000647126258 567761792 /nfs/dbraw/zinc/76/17/92/567761792.db2.gz LOUDZAAXQAPLSX-INIZCTEOSA-N -1 3 381.523 3.349 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000462048548 567762009 /nfs/dbraw/zinc/76/20/09/567762009.db2.gz BOCBEVNKFPEYRE-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000462048548 567762014 /nfs/dbraw/zinc/76/20/14/567762014.db2.gz BOCBEVNKFPEYRE-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc2ncccc2c1 ZINC000443494636 567762365 /nfs/dbraw/zinc/76/23/65/567762365.db2.gz WMCPXVDDFGZJNK-UHFFFAOYSA-N -1 3 393.262 3.181 20 0 GGADHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1c1ccccc1 ZINC000624141791 567763448 /nfs/dbraw/zinc/76/34/48/567763448.db2.gz LJEHHQVCJWCULT-INIZCTEOSA-N -1 3 398.937 3.290 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CCCC1 ZINC000443510352 567763736 /nfs/dbraw/zinc/76/37/36/567763736.db2.gz PYYNMZXYPOSPHN-UHFFFAOYSA-N -1 3 389.901 3.002 20 0 GGADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)OC ZINC000443510252 567763850 /nfs/dbraw/zinc/76/38/50/567763850.db2.gz PJZPDKNNMQULHT-HNNXBMFYSA-N -1 3 391.917 3.246 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CCN(c3cc(Cl)ccc3C)C2)s1 ZINC000574221718 567763934 /nfs/dbraw/zinc/76/39/34/567763934.db2.gz IKRICMOGVYOMPY-CYBMUJFWSA-N -1 3 385.942 3.218 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1)C(C)C ZINC000647133378 567764118 /nfs/dbraw/zinc/76/41/18/567764118.db2.gz CRFVZTXIBMPNGV-KRWDZBQOSA-N -1 3 376.469 3.368 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cnc2ccsc2c1 ZINC000443506677 567764299 /nfs/dbraw/zinc/76/42/99/567764299.db2.gz COTRGLLTVOWLCK-UHFFFAOYSA-N -1 3 399.291 3.243 20 0 GGADHM COc1ccc(NC(=O)c2cc(I)ccc2F)c([O-])c1 ZINC000443571187 567766449 /nfs/dbraw/zinc/76/64/49/567766449.db2.gz YJZLUEBQOAIFLO-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM COc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)c([O-])c1 ZINC000443555225 567766630 /nfs/dbraw/zinc/76/66/30/567766630.db2.gz CTXMJEUXLKRBTC-SECBINFHSA-N -1 3 383.231 3.465 20 0 GGADHM CC(C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)C(F)(F)F ZINC000443575620 567766731 /nfs/dbraw/zinc/76/67/31/567766731.db2.gz AKIJDONIDDSKFW-MRVPVSSYSA-N -1 3 379.385 3.081 20 0 GGADHM COc1ccc(NC(=O)Cc2cccc(I)c2)c([O-])c1 ZINC000443569818 567766876 /nfs/dbraw/zinc/76/68/76/567766876.db2.gz WAKHCOWNFUCTAL-UHFFFAOYSA-N -1 3 383.185 3.187 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)s1 ZINC000462076997 567767207 /nfs/dbraw/zinc/76/72/07/567767207.db2.gz UDWQDMWLMDHMJV-SNVBAGLBSA-N -1 3 385.816 3.432 20 0 GGADHM COc1cccc(COCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000462077822 567767331 /nfs/dbraw/zinc/76/73/31/567767331.db2.gz WDDGWTAEPYXSHN-UHFFFAOYSA-N -1 3 395.424 3.271 20 0 GGADHM O=S(=O)([N-]C[C@H](O)CCc1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462077057 567767594 /nfs/dbraw/zinc/76/75/94/567767594.db2.gz WMINONRLBMBEDP-GFCCVEGCSA-N -1 3 379.425 3.039 20 0 GGADHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)nc2c1 ZINC000462083963 567768288 /nfs/dbraw/zinc/76/82/88/567768288.db2.gz KSTVSQUGASKQEN-UHFFFAOYSA-N -1 3 375.397 3.202 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1cccc(Cl)c1Cl ZINC000508827997 567769061 /nfs/dbraw/zinc/76/90/61/567769061.db2.gz NPRVSHVMCUVVFT-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462092746 567769486 /nfs/dbraw/zinc/76/94/86/567769486.db2.gz XTALXKSBAXNYMY-WDEREUQCSA-N -1 3 398.472 3.129 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462092745 567769758 /nfs/dbraw/zinc/76/97/58/567769758.db2.gz XTALXKSBAXNYMY-QWRGUYRKSA-N -1 3 398.472 3.129 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1ccc(C(F)(F)F)s1 ZINC000462090013 567769788 /nfs/dbraw/zinc/76/97/88/567769788.db2.gz BXPYOINRMMZKSB-UHFFFAOYSA-N -1 3 387.408 3.431 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccs1 ZINC000462089652 567769950 /nfs/dbraw/zinc/76/99/50/567769950.db2.gz SHQGARREVSTUIE-VIFPVBQESA-N -1 3 384.470 3.410 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)F)c1cc(Cl)ccc1C(F)(F)F ZINC000508860890 567770026 /nfs/dbraw/zinc/77/00/26/567770026.db2.gz SSPBYYHUNGNMNM-UHFFFAOYSA-N -1 3 385.713 3.216 20 0 GGADHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462092522 567770083 /nfs/dbraw/zinc/77/00/83/567770083.db2.gz PZGZCIHGYDWMLD-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(OC)c1 ZINC000462090347 567770217 /nfs/dbraw/zinc/77/02/17/567770217.db2.gz PJRMSMCJZOMVLG-UHFFFAOYSA-N -1 3 395.424 3.305 20 0 GGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000508858767 567770222 /nfs/dbraw/zinc/77/02/22/567770222.db2.gz WBIKXNPLFBETIA-UHFFFAOYSA-N -1 3 380.897 3.057 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1cccc(Cl)c1 ZINC000574310542 567770456 /nfs/dbraw/zinc/77/04/56/567770456.db2.gz SJMQLMNMHAIOKH-ZDUSSCGKSA-N -1 3 383.882 3.011 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000443686251 567770717 /nfs/dbraw/zinc/77/07/17/567770717.db2.gz PNTXXYJJFDGQSQ-LLVKDONJSA-N -1 3 379.791 3.289 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000462100672 567770857 /nfs/dbraw/zinc/77/08/57/567770857.db2.gz HBIQMEKVNBLHNJ-LLVKDONJSA-N -1 3 393.408 3.002 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)Cn1cccn1 ZINC000508874504 567771597 /nfs/dbraw/zinc/77/15/97/567771597.db2.gz OQVMNHNVBYEZQO-JTQLQIEISA-N -1 3 381.807 3.170 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC ZINC000508877408 567771982 /nfs/dbraw/zinc/77/19/82/567771982.db2.gz XRKKBBSKASESFZ-CYBMUJFWSA-N -1 3 387.807 3.369 20 0 GGADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000443720540 567772202 /nfs/dbraw/zinc/77/22/02/567772202.db2.gz DWIVOLRAPRTOAV-UHFFFAOYSA-N -1 3 389.882 3.065 20 0 GGADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000443720867 567772215 /nfs/dbraw/zinc/77/22/15/567772215.db2.gz FSIDOAVFJOQTER-LBPRGKRZSA-N -1 3 385.532 3.384 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000462104268 567772358 /nfs/dbraw/zinc/77/23/58/567772358.db2.gz SPUQOFFNSIBVMJ-ZDUSSCGKSA-N -1 3 392.468 3.218 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1ccc(C(F)(F)F)s1 ZINC000462104484 567772499 /nfs/dbraw/zinc/77/24/99/567772499.db2.gz KYPDJGCOFCNUFS-SECBINFHSA-N -1 3 387.351 3.057 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccc2ccoc2c1 ZINC000443707733 567772847 /nfs/dbraw/zinc/77/28/47/567772847.db2.gz SADIXIFCQOTFKH-UHFFFAOYSA-N -1 3 389.205 3.156 20 0 GGADHM COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Br)c2OC)c[n-]1 ZINC000574350702 567773207 /nfs/dbraw/zinc/77/32/07/567773207.db2.gz GRCUDKQQRZPVFQ-UHFFFAOYSA-N -1 3 387.617 3.478 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@H](O)Cc1ccccc1 ZINC000462108628 567773257 /nfs/dbraw/zinc/77/32/57/567773257.db2.gz GKUJRRPIEILWNQ-CMPLNLGQSA-N -1 3 379.425 3.037 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2ccccc2)no1 ZINC000598536560 567773509 /nfs/dbraw/zinc/77/35/09/567773509.db2.gz ZIHOUHKBNCHWAA-GFCCVEGCSA-N -1 3 377.853 3.353 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2Cl)c1 ZINC000443748527 567773558 /nfs/dbraw/zinc/77/35/58/567773558.db2.gz PFVYIJKVCBHRFH-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443743766 567773565 /nfs/dbraw/zinc/77/35/65/567773565.db2.gz JRUPVIXPSKPXLX-NOZJJQNGSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C(F)(F)F)s1 ZINC000462110411 567773732 /nfs/dbraw/zinc/77/37/32/567773732.db2.gz IFHKRNVPJTYJBI-UHFFFAOYSA-N -1 3 391.392 3.463 20 0 GGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)cn21 ZINC000462108271 567773749 /nfs/dbraw/zinc/77/37/49/567773749.db2.gz LJHUIGQOPIJDDE-UHFFFAOYSA-N -1 3 375.397 3.202 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000443735456 567773912 /nfs/dbraw/zinc/77/39/12/567773912.db2.gz UECMRLDERCSDSH-MRVPVSSYSA-N -1 3 391.262 3.275 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000533547581 567774276 /nfs/dbraw/zinc/77/42/76/567774276.db2.gz PRVJIJDTKLBRQF-IINYFYTJSA-N -1 3 383.853 3.322 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000533547435 567774498 /nfs/dbraw/zinc/77/44/98/567774498.db2.gz CLKJPXWTUTZDRI-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000533547583 567774581 /nfs/dbraw/zinc/77/45/81/567774581.db2.gz PRVJIJDTKLBRQF-YGRLFVJLSA-N -1 3 383.853 3.322 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(C)(C)c2ccccc21 ZINC000574372199 567774661 /nfs/dbraw/zinc/77/46/61/567774661.db2.gz ABDHJWKTXAZFDF-CYBMUJFWSA-N -1 3 378.519 3.129 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443753957 567774878 /nfs/dbraw/zinc/77/48/78/567774878.db2.gz JNLOAUXPWQEIGS-NXEZZACHSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1ccc(Br)c(Cl)c1 ZINC000443765647 567774925 /nfs/dbraw/zinc/77/49/25/567774925.db2.gz QOAIMOKPWGEADF-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C)(C)C ZINC000443760865 567775146 /nfs/dbraw/zinc/77/51/46/567775146.db2.gz RIQQSIGSTGIRLB-QMMMGPOBSA-N -1 3 387.807 3.367 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)cc1Cl ZINC000533554127 567775557 /nfs/dbraw/zinc/77/55/57/567775557.db2.gz YZEBONYECOCNFU-ZDUSSCGKSA-N -1 3 382.309 3.222 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)c(Cl)c1Cl ZINC000533554114 567775566 /nfs/dbraw/zinc/77/55/66/567775566.db2.gz STXYJZLYVYRBQR-LLVKDONJSA-N -1 3 382.309 3.222 20 0 GGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000533553200 567775806 /nfs/dbraw/zinc/77/58/06/567775806.db2.gz TVSUBZXIXSGILN-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790791 567776145 /nfs/dbraw/zinc/77/61/45/567776145.db2.gz PLISJRDCRSYZAU-UWVGGRQHSA-N -1 3 393.734 3.006 20 0 GGADHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000443785347 567776246 /nfs/dbraw/zinc/77/62/46/567776246.db2.gz XSXYOYLUXSWVGO-UHFFFAOYSA-N -1 3 394.909 3.228 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000533577882 567776411 /nfs/dbraw/zinc/77/64/11/567776411.db2.gz PDGMWWZVRUGXDY-GXFFZTMASA-N -1 3 383.853 3.322 20 0 GGADHM Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)o1 ZINC000533582430 567776719 /nfs/dbraw/zinc/77/67/19/567776719.db2.gz BZOQUPFVCJWXEA-UHFFFAOYSA-N -1 3 376.356 3.160 20 0 GGADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cn(Cc2ccccn2)nn1 ZINC000443878197 567778219 /nfs/dbraw/zinc/77/82/19/567778219.db2.gz KJGZAIKFRVVXRG-UHFFFAOYSA-N -1 3 394.179 3.014 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632864 567778559 /nfs/dbraw/zinc/77/85/59/567778559.db2.gz IRTTVHPHHALLLU-RHSMWYFYSA-N -1 3 379.913 3.066 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000533633006 567778919 /nfs/dbraw/zinc/77/89/19/567778919.db2.gz QGMNHTRVMKHBFF-OAHLLOKOSA-N -1 3 385.942 3.220 20 0 GGADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000533634862 567779536 /nfs/dbraw/zinc/77/95/36/567779536.db2.gz UZBSLLGTDYJKDO-ZDUSSCGKSA-N -1 3 383.491 3.224 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000533639194 567779702 /nfs/dbraw/zinc/77/97/02/567779702.db2.gz TURQJWHFVRLLKV-MEBBXXQBSA-N -1 3 375.277 3.443 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F)c1C ZINC000443934809 567779881 /nfs/dbraw/zinc/77/98/81/567779881.db2.gz LWUZJDAAQJCEDH-AMIZOPFISA-N -1 3 384.420 3.064 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(N(C)C)n1 ZINC000533644637 567780116 /nfs/dbraw/zinc/78/01/16/567780116.db2.gz ZGYJJGFAMWMWSZ-UHFFFAOYSA-N -1 3 379.869 3.334 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(Br)c2)CC1)c1cncc(Cl)c1 ZINC000533638165 567780206 /nfs/dbraw/zinc/78/02/06/567780206.db2.gz MAXPVSUJNQYPCR-UHFFFAOYSA-N -1 3 387.686 3.465 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(F)(F)F ZINC000443933468 567780366 /nfs/dbraw/zinc/78/03/66/567780366.db2.gz DSSINTIAVNVAJQ-BONVTDFDSA-N -1 3 378.416 3.217 20 0 GGADHM COCCOC[C@@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000667881720 567780507 /nfs/dbraw/zinc/78/05/07/567780507.db2.gz ADAPBIATGVDHNG-SECBINFHSA-N -1 3 397.107 3.058 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@]2(O)CCCC2(C)C)s1 ZINC000555384584 567780760 /nfs/dbraw/zinc/78/07/60/567780760.db2.gz YMYLTRZLPNBEHS-CYBMUJFWSA-N -1 3 382.345 3.039 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nc1 ZINC000443947793 567781197 /nfs/dbraw/zinc/78/11/97/567781197.db2.gz SPXNVEDTHZVSPS-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000555385494 567781403 /nfs/dbraw/zinc/78/14/03/567781403.db2.gz FXUYNRKJTFKTOC-AWEZNQCLSA-N -1 3 396.734 3.322 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F)cc1 ZINC000443942111 567781388 /nfs/dbraw/zinc/78/13/88/567781388.db2.gz MIPNSIOQYCAMNZ-SWLSCSKDSA-N -1 3 383.432 3.357 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1OC ZINC000555377075 567781421 /nfs/dbraw/zinc/78/14/21/567781421.db2.gz XFMKACCZIAEEDO-UHFFFAOYSA-N -1 3 391.823 3.156 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccn(C(C)C)n3)s2)cs1 ZINC000555398573 567781883 /nfs/dbraw/zinc/78/18/83/567781883.db2.gz JQABXVYIOMMEDX-UHFFFAOYSA-N -1 3 382.536 3.436 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000555412810 567781932 /nfs/dbraw/zinc/78/19/32/567781932.db2.gz OSYNACBMPFOYFE-NSHDSACASA-N -1 3 381.454 3.121 20 0 GGADHM COc1ccc(CNc2ccc(N3CCCC3=O)cn2)c(Br)c1[O-] ZINC000667912181 567782038 /nfs/dbraw/zinc/78/20/38/567782038.db2.gz ACSHFUHHBBRYJS-UHFFFAOYSA-N -1 3 392.253 3.297 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000574503710 567782245 /nfs/dbraw/zinc/78/22/45/567782245.db2.gz IDATXSUVMFDMLM-JTQLQIEISA-N -1 3 381.295 3.258 20 0 GGADHM C[C@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000647368070 567782368 /nfs/dbraw/zinc/78/23/68/567782368.db2.gz RVJNAIYJEAFTQG-LRDDRELGSA-N -1 3 390.281 3.449 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1cc2cc(Cl)ccc2s1 ZINC000533696423 567782838 /nfs/dbraw/zinc/78/28/38/567782838.db2.gz DIILAHADKQAOIA-NSHDSACASA-N -1 3 385.894 3.277 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)c(C)o1 ZINC000555415049 567783231 /nfs/dbraw/zinc/78/32/31/567783231.db2.gz ZPXWWNARPJOYLW-UHFFFAOYSA-N -1 3 379.459 3.110 20 0 GGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000533699600 567783175 /nfs/dbraw/zinc/78/31/75/567783175.db2.gz YNFIIQFJYADQLW-MEDUHNTESA-N -1 3 385.844 3.308 20 0 GGADHM Oc1[n-]c(N2CC[C@H](Sc3ccc(Br)cc3)C2)nc2nncc1-2 ZINC000624474458 567783434 /nfs/dbraw/zinc/78/34/34/567783434.db2.gz ISERTGHWVWGWHP-NSHDSACASA-N -1 3 392.282 3.192 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1cc(F)cc(Cl)c1 ZINC000533709249 567783814 /nfs/dbraw/zinc/78/38/14/567783814.db2.gz JQIODYRMTMCPLG-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM Cc1ccc(CNCc2cc([O-])ccc2Br)cc1S(C)(=O)=O ZINC000443982765 567784760 /nfs/dbraw/zinc/78/47/60/567784760.db2.gz DQWPZVIIBSPBNR-UHFFFAOYSA-N -1 3 384.295 3.156 20 0 GGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000444034663 567785700 /nfs/dbraw/zinc/78/57/00/567785700.db2.gz UOXAZEQDDPLSSL-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM CC(C)C[C@H](C(=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000574578606 567786296 /nfs/dbraw/zinc/78/62/96/567786296.db2.gz RFQRHYPNCQEFSK-CYBMUJFWSA-N -1 3 379.810 3.375 20 0 GGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000444055444 567786712 /nfs/dbraw/zinc/78/67/12/567786712.db2.gz HJAOSAGVFKALKU-OAHLLOKOSA-N -1 3 379.503 3.381 20 0 GGADHM CC1(F)CC([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000574605048 567787224 /nfs/dbraw/zinc/78/72/24/567787224.db2.gz GMYIVGADTLGJEB-XOYHFGRZSA-N -1 3 391.892 3.457 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000444063520 567787672 /nfs/dbraw/zinc/78/76/72/567787672.db2.gz DSWMAEISUFUXEM-OAHLLOKOSA-N -1 3 385.942 3.220 20 0 GGADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)c1 ZINC000444061681 567787926 /nfs/dbraw/zinc/78/79/26/567787926.db2.gz DLHPAYYYTHUCIW-UHFFFAOYSA-N -1 3 382.507 3.177 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1cccc(Br)c1[O-])Cc1ccccc1 ZINC000533812363 567788401 /nfs/dbraw/zinc/78/84/01/567788401.db2.gz FDSXMXCBIOIYJV-CQSZACIVSA-N -1 3 377.282 3.057 20 0 GGADHM CN(C)[C@H](CNC(=O)c1cccc(Br)c1[O-])Cc1ccccc1 ZINC000533812362 567788849 /nfs/dbraw/zinc/78/88/49/567788849.db2.gz FDSXMXCBIOIYJV-AWEZNQCLSA-N -1 3 377.282 3.057 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]2CCCO[C@H]21 ZINC000444068427 567788913 /nfs/dbraw/zinc/78/89/13/567788913.db2.gz BTRHCGTYKWNNMR-ZLKJLUDKSA-N -1 3 381.391 3.326 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444069890 567788975 /nfs/dbraw/zinc/78/89/75/567788975.db2.gz IPUBJCNQSCECOU-MRVPVSSYSA-N -1 3 380.363 3.359 20 0 GGADHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444069318 567789102 /nfs/dbraw/zinc/78/91/02/567789102.db2.gz IYDONMMPAIVVHZ-SECBINFHSA-N -1 3 385.379 3.243 20 0 GGADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)c1 ZINC000444066603 567789249 /nfs/dbraw/zinc/78/92/49/567789249.db2.gz XXJVUYUXEVCTSW-UHFFFAOYSA-N -1 3 382.507 3.177 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCC[C@H](F)C2)cc(C(F)(F)F)c1 ZINC000574641917 567789545 /nfs/dbraw/zinc/78/95/45/567789545.db2.gz YIDCYIHXHJFOCU-RYUDHWBXSA-N -1 3 382.379 3.087 20 0 GGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000444074290 567790342 /nfs/dbraw/zinc/79/03/42/567790342.db2.gz RMXLIXYZKFBBBQ-CXAGYDPISA-N -1 3 379.503 3.237 20 0 GGADHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1cc(F)cc(Cl)c1 ZINC000555584053 567790380 /nfs/dbraw/zinc/79/03/80/567790380.db2.gz YXRHYZDHUWBBCV-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1nnc2n1CCCCC2 ZINC000444084371 567791318 /nfs/dbraw/zinc/79/13/18/567791318.db2.gz MOISYIFCOVGCBD-ZDUSSCGKSA-N -1 3 380.539 3.156 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1ccc(C(F)(F)F)cc1F ZINC000444087052 567792443 /nfs/dbraw/zinc/79/24/43/567792443.db2.gz RGYFWZZNHCEKIG-CQSZACIVSA-N -1 3 377.359 3.247 20 0 GGADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444091513 567792479 /nfs/dbraw/zinc/79/24/79/567792479.db2.gz PWQUDCPGHQNKJV-JQWIXIFHSA-N -1 3 392.315 3.323 20 0 GGADHM CC1(C)CCC([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)(C(N)=O)CC1 ZINC000533910824 567792935 /nfs/dbraw/zinc/79/29/35/567792935.db2.gz YPVYQLOFKGXGFC-UHFFFAOYSA-N -1 3 393.336 3.237 20 0 GGADHM [O-]c1c(Br)cc(CN[C@H](CO)CC(F)F)cc1Br ZINC000668063027 567794514 /nfs/dbraw/zinc/79/45/14/567794514.db2.gz BFEIPJXYRBHDKU-ZETCQYMHSA-N -1 3 389.034 3.023 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)c1[O-] ZINC000533971515 567794794 /nfs/dbraw/zinc/79/47/94/567794794.db2.gz IUDGJQBZQXTLGH-UHFFFAOYSA-N -1 3 382.247 3.445 20 0 GGADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])sc2nc3n(c(=O)c12)CCC3 ZINC000533972919 567794977 /nfs/dbraw/zinc/79/49/77/567794977.db2.gz PRQZTXIRVDKCBZ-UHFFFAOYSA-N -1 3 375.837 3.324 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1[O-] ZINC000533970847 567795015 /nfs/dbraw/zinc/79/50/15/567795015.db2.gz XCGARTWQWZLGKZ-UHFFFAOYSA-N -1 3 378.219 3.300 20 0 GGADHM CCSc1ccccc1-c1noc(-c2cc(S(=O)(=O)[N-]C)oc2C)n1 ZINC000624689624 567795192 /nfs/dbraw/zinc/79/51/92/567795192.db2.gz AZQCDVKMSGDHKU-UHFFFAOYSA-N -1 3 379.463 3.325 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(C(F)(F)F)cc1F ZINC000444183019 567795415 /nfs/dbraw/zinc/79/54/15/567795415.db2.gz MUNXBMGQANIYOD-GFCCVEGCSA-N -1 3 379.306 3.396 20 0 GGADHM O=S(=O)(c1ccc([O-])cc1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000574751561 567795571 /nfs/dbraw/zinc/79/55/71/567795571.db2.gz YOWUYNRWBHHYEY-UHFFFAOYSA-N -1 3 378.519 3.296 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)n2C)c1Cl ZINC000444186247 567795989 /nfs/dbraw/zinc/79/59/89/567795989.db2.gz RYDXNRNZUMJJDD-UHFFFAOYSA-N -1 3 377.297 3.032 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccco1 ZINC000444196958 567796254 /nfs/dbraw/zinc/79/62/54/567796254.db2.gz QUMHZKYPTQKIFU-GFCCVEGCSA-N -1 3 381.347 3.494 20 0 GGADHM COC(=O)c1cnc([N-]C(=O)c2cc(OC)c(Br)s2)s1 ZINC000534010669 567796847 /nfs/dbraw/zinc/79/68/47/567796847.db2.gz WCGBIYMBIRTWFR-UHFFFAOYSA-N -1 3 377.241 3.015 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCc2cn(C)c3cc(Cl)ccc23)c1 ZINC000444212797 567796899 /nfs/dbraw/zinc/79/68/99/567796899.db2.gz LXCYQPLMIUJCDD-UHFFFAOYSA-N -1 3 380.901 3.130 20 0 GGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000574788870 567797456 /nfs/dbraw/zinc/79/74/56/567797456.db2.gz FUYBWAZKDKEIIN-QWRGUYRKSA-N -1 3 376.906 3.410 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCO[C@@H]1C1CC1 ZINC000444211613 567797578 /nfs/dbraw/zinc/79/75/78/567797578.db2.gz KLNYCKPBOITNCJ-HUUCEWRRSA-N -1 3 381.391 3.328 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)cc(Cl)c1 ZINC000444225082 567798186 /nfs/dbraw/zinc/79/81/86/567798186.db2.gz PIHDGFDMDXNQOV-ZANVPECISA-N -1 3 389.798 3.241 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Br)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000647704536 567798218 /nfs/dbraw/zinc/79/82/18/567798218.db2.gz KRJRZMDCLQPPAX-DTWKUNHWSA-N -1 3 398.282 3.004 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC2(CC2)CC1 ZINC000598910415 567799207 /nfs/dbraw/zinc/79/92/07/567799207.db2.gz UFVLEBOKKYUOJP-UHFFFAOYSA-N -1 3 391.320 3.064 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(Cl)cc(Br)c1F ZINC000444290770 567800129 /nfs/dbraw/zinc/80/01/29/567800129.db2.gz IRMSJEWNKGTIFH-UHFFFAOYSA-N -1 3 376.569 3.004 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Br)c(Cl)c1F ZINC000444297420 567800306 /nfs/dbraw/zinc/80/03/06/567800306.db2.gz SRYCXUWNGVPAEJ-UHFFFAOYSA-N -1 3 376.569 3.004 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1ccc(Br)s1 ZINC000444274410 567800364 /nfs/dbraw/zinc/80/03/64/567800364.db2.gz BAQQSYHJNCLZGD-LURJTMIESA-N -1 3 396.719 3.181 20 0 GGADHM O=C(COc1ccc(Br)cc1F)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802783 567802351 /nfs/dbraw/zinc/80/23/51/567802351.db2.gz UJXJDFHEGBGCKS-UHFFFAOYSA-N -1 3 380.173 3.188 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891196 567803380 /nfs/dbraw/zinc/80/33/80/567803380.db2.gz MJYHTRAQVWDADY-HTQZYQBOSA-N -1 3 382.433 3.438 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cl)cc(F)c1Br ZINC000574908822 567803902 /nfs/dbraw/zinc/80/39/02/567803902.db2.gz JEHZNAQFYMHUMD-NSHDSACASA-N -1 3 388.624 3.490 20 0 GGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1(F)F ZINC000444405504 567804690 /nfs/dbraw/zinc/80/46/90/567804690.db2.gz RCAMONBWBDAZMF-VIFPVBQESA-N -1 3 385.208 3.408 20 0 GGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1(F)F ZINC000444405503 567804792 /nfs/dbraw/zinc/80/47/92/567804792.db2.gz RCAMONBWBDAZMF-SECBINFHSA-N -1 3 385.208 3.408 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCO[C@H]3CCCCO3)s2)cs1 ZINC000647885211 567804944 /nfs/dbraw/zinc/80/49/44/567804944.db2.gz KOGXLKDJYNUNRY-AWEZNQCLSA-N -1 3 388.536 3.002 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000647891366 567805045 /nfs/dbraw/zinc/80/50/45/567805045.db2.gz YEGZLXBRKYVHNN-ZETCQYMHSA-N -1 3 387.305 3.487 20 0 GGADHM COc1ccc([C@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C(C)C)cc1 ZINC000647892719 567805193 /nfs/dbraw/zinc/80/51/93/567805193.db2.gz REGUWAQAILIVLB-CYBMUJFWSA-N -1 3 377.388 3.113 20 0 GGADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000534258298 567805182 /nfs/dbraw/zinc/80/51/82/567805182.db2.gz MXLHKQSZJRCVRD-UHFFFAOYSA-N -1 3 378.376 3.001 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCO[C@@H]3CCCCO3)s2)cs1 ZINC000647885212 567805292 /nfs/dbraw/zinc/80/52/92/567805292.db2.gz KOGXLKDJYNUNRY-CQSZACIVSA-N -1 3 388.536 3.002 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCC1=O ZINC000534276029 567805871 /nfs/dbraw/zinc/80/58/71/567805871.db2.gz AJOAADNVFWNJFR-RKDXNWHRSA-N -1 3 395.232 3.317 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CS[C@H](C)C1 ZINC000668305925 567806393 /nfs/dbraw/zinc/80/63/93/567806393.db2.gz BXSJQJHLUPYGFV-KOLCDFICSA-N -1 3 380.329 3.020 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000534306317 567806596 /nfs/dbraw/zinc/80/65/96/567806596.db2.gz UIFOFBLNWKAUCX-QGZVFWFLSA-N -1 3 388.867 3.341 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1 ZINC000647921156 567807273 /nfs/dbraw/zinc/80/72/73/567807273.db2.gz ZBQMSJYLWLBNRJ-JKSUJKDBSA-N -1 3 381.523 3.271 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)N1CCc2sccc2C1 ZINC000534422777 567811724 /nfs/dbraw/zinc/81/17/24/567811724.db2.gz SGJCUYHKFDQPEX-LLVKDONJSA-N -1 3 388.917 3.266 20 0 GGADHM CC(=O)NCc1ccc(-c2nc([N-]C(=O)c3nnc(C)s3)sc2C)s1 ZINC000668479163 567812188 /nfs/dbraw/zinc/81/21/88/567812188.db2.gz MNHYKLPQIZCVIG-UHFFFAOYSA-N -1 3 393.519 3.228 20 0 GGADHM CC(C)=C[C@H]1[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1(C)C ZINC000012888818 570285563 /nfs/dbraw/zinc/28/55/63/570285563.db2.gz NOPGLBOHBMACQZ-DOTOQJQBSA-N -1 3 396.578 3.256 20 0 GGADHM Cc1ccc(-c2csc3ncn(CCC(=O)[N-]C4=NCCS4)c(=O)c23)cc1 ZINC000012910096 570290504 /nfs/dbraw/zinc/29/05/04/570290504.db2.gz YPLLYAWGPUNCPF-UHFFFAOYSA-N -1 3 398.513 3.043 20 0 GGADHM C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012911962 570291055 /nfs/dbraw/zinc/29/10/55/570291055.db2.gz FUKVKIPSPGJRIX-KRWDZBQOSA-N -1 3 395.503 3.262 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012908929 570291131 /nfs/dbraw/zinc/29/11/31/570291131.db2.gz KTFLRKJFPHGRJU-UHFFFAOYSA-N -1 3 384.461 3.354 20 0 GGADHM C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012911957 570291142 /nfs/dbraw/zinc/29/11/42/570291142.db2.gz FUKVKIPSPGJRIX-QGZVFWFLSA-N -1 3 395.503 3.262 20 0 GGADHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccc5c(c4)CCC5)cs3)nn21 ZINC000012996984 570410802 /nfs/dbraw/zinc/41/08/02/570410802.db2.gz OHVJMSHTHYIDHF-UHFFFAOYSA-N -1 3 376.445 3.297 20 0 GGADHM CCc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000013008654 570416234 /nfs/dbraw/zinc/41/62/34/570416234.db2.gz YKNAWTHHPLUZDA-UHFFFAOYSA-N -1 3 382.460 3.211 20 0 GGADHM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2n[n-]nc2c1 ZINC000011764775 570434113 /nfs/dbraw/zinc/43/41/13/570434113.db2.gz DCXBINWLHPRZEX-UHFFFAOYSA-N -1 3 390.472 3.225 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1noc(C)n1 ZINC000072310251 570536224 /nfs/dbraw/zinc/53/62/24/570536224.db2.gz HWTVLIPXCIORTA-HNNXBMFYSA-N -1 3 399.419 3.337 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1noc(C)n1 ZINC000072310252 570536449 /nfs/dbraw/zinc/53/64/49/570536449.db2.gz HWTVLIPXCIORTA-OAHLLOKOSA-N -1 3 399.419 3.337 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000008746397 570540343 /nfs/dbraw/zinc/54/03/43/570540343.db2.gz OKRKOYLYBHWDKH-MRXNPFEDSA-N -1 3 397.834 3.420 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000008746395 570540554 /nfs/dbraw/zinc/54/05/54/570540554.db2.gz QKGGBDHQLZISOC-MRXNPFEDSA-N -1 3 399.369 3.044 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)c(C)c1 ZINC000012630563 570692681 /nfs/dbraw/zinc/69/26/81/570692681.db2.gz DFRCCXNJWBKNLK-UHFFFAOYSA-N -1 3 383.477 3.401 20 0 GGADHM COC(=O)c1cccc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000012787549 570712979 /nfs/dbraw/zinc/71/29/79/570712979.db2.gz IZGZECGFWTZATL-UHFFFAOYSA-N -1 3 397.431 3.061 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)Nc3ccc(F)c(F)c3)nc2n1 ZINC000012789298 570713879 /nfs/dbraw/zinc/71/38/79/570713879.db2.gz FKRSVPJLVKXOGR-UHFFFAOYSA-N -1 3 376.388 3.356 20 0 GGADHM Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c(F)c1 ZINC000012800794 570717563 /nfs/dbraw/zinc/71/75/63/570717563.db2.gz OHYPKLVOWZLGIM-UHFFFAOYSA-N -1 3 385.439 3.129 20 0 GGADHM C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000006974870 570725198 /nfs/dbraw/zinc/72/51/98/570725198.db2.gz BJMLPZQTTKMYKZ-GFCCVEGCSA-N -1 3 389.502 3.308 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000012997350 570739915 /nfs/dbraw/zinc/73/99/15/570739915.db2.gz ZOCLZCSTSZOVAO-UHFFFAOYSA-N -1 3 391.443 3.305 20 0 GGADHM CCc1sc(C(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C ZINC000007025888 570742461 /nfs/dbraw/zinc/74/24/61/570742461.db2.gz IMCIQYVUYXIYHL-GFCCVEGCSA-N -1 3 395.502 3.419 20 0 GGADHM CCc1ccccc1NC(=O)CN(C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000013040196 570743050 /nfs/dbraw/zinc/74/30/50/570743050.db2.gz IFWMHOAWWHOYBA-UHFFFAOYSA-N -1 3 380.444 3.440 20 0 GGADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000005694056 570813695 /nfs/dbraw/zinc/81/36/95/570813695.db2.gz TYWDDLRZXRDEPJ-UHFFFAOYSA-N -1 3 390.395 3.440 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(F)(F)F)c2)cc1 ZINC000012525916 570830865 /nfs/dbraw/zinc/83/08/65/570830865.db2.gz WYOLSNYRPWBPQU-UHFFFAOYSA-N -1 3 386.395 3.396 20 0 GGADHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000007364685 570834308 /nfs/dbraw/zinc/83/43/08/570834308.db2.gz HAYKLJQHVQEQHO-UHFFFAOYSA-N -1 3 397.903 3.422 20 0 GGADHM O=c1cc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)occ1[O-] ZINC000012534438 570835410 /nfs/dbraw/zinc/83/54/10/570835410.db2.gz FSQZGVHUXBTIPQ-UHFFFAOYSA-N -1 3 384.461 3.209 20 0 GGADHM CC(C)c1cccc(OCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000032830364 570844607 /nfs/dbraw/zinc/84/46/07/570844607.db2.gz IEUCDFQLBKQPQU-UHFFFAOYSA-N -1 3 380.441 3.338 20 0 GGADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000012557303 570860012 /nfs/dbraw/zinc/86/00/12/570860012.db2.gz KOMUSRVQYXDUME-UHFFFAOYSA-N -1 3 390.505 3.266 20 0 GGADHM Cc1ccc(C)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000015042371 570873540 /nfs/dbraw/zinc/87/35/40/570873540.db2.gz KIRDTGOTISVSPP-UHFFFAOYSA-N -1 3 381.476 3.298 20 0 GGADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2n[n-]nc2c1 ZINC000012583060 570879525 /nfs/dbraw/zinc/87/95/25/570879525.db2.gz UJMFECVMIIKSDL-UHFFFAOYSA-N -1 3 392.246 3.366 20 0 GGADHM CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccc([O-])cc3)no1)C2=O ZINC000170623547 570881844 /nfs/dbraw/zinc/88/18/44/570881844.db2.gz SLYFOBXINZYUBO-UHFFFAOYSA-N -1 3 398.463 3.469 20 0 GGADHM Cc1c([O-])ccc2c(COc3nc(Cc4ccc(F)cc4)no3)cc(=O)oc12 ZINC000170626219 570883332 /nfs/dbraw/zinc/88/33/32/570883332.db2.gz PIKLRZZYEBAWOV-UHFFFAOYSA-N -1 3 382.347 3.499 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000170626772 570883788 /nfs/dbraw/zinc/88/37/88/570883788.db2.gz MXGJRMVBJONYPZ-CQSZACIVSA-N -1 3 381.501 3.491 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000174673149 570886382 /nfs/dbraw/zinc/88/63/82/570886382.db2.gz WLJCSBZBMCFHEI-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM O=C(NCCNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000047545122 570963925 /nfs/dbraw/zinc/96/39/25/570963925.db2.gz KYIMYFWYYDMFPZ-UHFFFAOYSA-N -1 3 384.379 3.164 20 0 GGADHM CCCN(CC(=O)Nc1ccc(C)cc1F)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012733975 570977628 /nfs/dbraw/zinc/97/76/28/570977628.db2.gz VOFPYQJQWIOMIH-UHFFFAOYSA-N -1 3 388.468 3.283 20 0 GGADHM COc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012759260 571007890 /nfs/dbraw/zinc/00/78/90/571007890.db2.gz HULWXFZOEWXFFB-HNNXBMFYSA-N -1 3 397.475 3.079 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2n1 ZINC000012760197 571008576 /nfs/dbraw/zinc/00/85/76/571008576.db2.gz RUNOMJVZMNLKHE-ZDUSSCGKSA-N -1 3 380.473 3.005 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012765333 571014958 /nfs/dbraw/zinc/01/49/58/571014958.db2.gz PLFZWLILNRPSFH-AWEZNQCLSA-N -1 3 385.439 3.209 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(OC(F)F)c1 ZINC000737521882 598824980 /nfs/dbraw/zinc/82/49/80/598824980.db2.gz CJZPTXFRAZOQGZ-UHFFFAOYSA-N -1 3 383.362 3.083 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(OC(F)F)c1 ZINC000737521882 598824982 /nfs/dbraw/zinc/82/49/82/598824982.db2.gz CJZPTXFRAZOQGZ-UHFFFAOYSA-N -1 3 383.362 3.083 20 0 GGADHM Clc1cc(NCc2ccnc(OC3CCOCC3)c2)ccc1-c1nnn[n-]1 ZINC000737563853 598830530 /nfs/dbraw/zinc/83/05/30/598830530.db2.gz HFWSCNJJOQXRSY-UHFFFAOYSA-N -1 3 386.843 3.085 20 0 GGADHM Clc1cc(NCc2ccnc(OC3CCOCC3)c2)ccc1-c1nn[n-]n1 ZINC000737563853 598830531 /nfs/dbraw/zinc/83/05/31/598830531.db2.gz HFWSCNJJOQXRSY-UHFFFAOYSA-N -1 3 386.843 3.085 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCOC1 ZINC000737270089 598830993 /nfs/dbraw/zinc/83/09/93/598830993.db2.gz IUHHPPGWDDMOPV-MRXNPFEDSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCOC1 ZINC000737270089 598830995 /nfs/dbraw/zinc/83/09/95/598830995.db2.gz IUHHPPGWDDMOPV-MRXNPFEDSA-N -1 3 395.438 3.274 20 0 GGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCSCC1 ZINC000738111173 598836734 /nfs/dbraw/zinc/83/67/34/598836734.db2.gz IUAZNWZUOCLIAX-UHFFFAOYSA-N -1 3 385.518 3.355 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCc2ccsc2)c1C ZINC000737504377 598839441 /nfs/dbraw/zinc/83/94/41/598839441.db2.gz WCYKQKDKGMCZFU-UHFFFAOYSA-N -1 3 393.476 3.302 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)[C@H](C)C1 ZINC000736243795 598840129 /nfs/dbraw/zinc/84/01/29/598840129.db2.gz ZVRIUWFMUFDXHZ-CLCXKQKWSA-N -1 3 398.511 3.244 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cc(F)cc(F)c2)c1C ZINC000737502803 598840366 /nfs/dbraw/zinc/84/03/66/598840366.db2.gz BBMIDJWKFWKAAZ-UHFFFAOYSA-N -1 3 395.373 3.200 20 0 GGADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736457664 598840857 /nfs/dbraw/zinc/84/08/57/598840857.db2.gz QVVVUBZBZTYLRI-UHFFFAOYSA-N -1 3 375.429 3.001 20 0 GGADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736457664 598840858 /nfs/dbraw/zinc/84/08/58/598840858.db2.gz QVVVUBZBZTYLRI-UHFFFAOYSA-N -1 3 375.429 3.001 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc3c(c2)CCC3)c1C ZINC000737504376 598840864 /nfs/dbraw/zinc/84/08/64/598840864.db2.gz WADPZWXAYRDJTB-UHFFFAOYSA-N -1 3 399.458 3.410 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000736188459 598843042 /nfs/dbraw/zinc/84/30/42/598843042.db2.gz OPKVYMFMNCBLOG-VIFPVBQESA-N -1 3 394.218 3.079 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000736188459 598843044 /nfs/dbraw/zinc/84/30/44/598843044.db2.gz OPKVYMFMNCBLOG-VIFPVBQESA-N -1 3 394.218 3.079 20 0 GGADHM CC(C)c1cnc(COC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)o1 ZINC000735932676 598843124 /nfs/dbraw/zinc/84/31/24/598843124.db2.gz PPCVLTIUCCGYPK-QGZVFWFLSA-N -1 3 385.424 3.125 20 0 GGADHM CC(C)c1cnc(COC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)o1 ZINC000735932676 598843126 /nfs/dbraw/zinc/84/31/26/598843126.db2.gz PPCVLTIUCCGYPK-QGZVFWFLSA-N -1 3 385.424 3.125 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738230754 598847235 /nfs/dbraw/zinc/84/72/35/598847235.db2.gz IZPXTWOLAWRMRD-UHFFFAOYSA-N -1 3 388.309 3.177 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738230754 598847236 /nfs/dbraw/zinc/84/72/36/598847236.db2.gz IZPXTWOLAWRMRD-UHFFFAOYSA-N -1 3 388.309 3.177 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736177788 598847802 /nfs/dbraw/zinc/84/78/02/598847802.db2.gz VBPYPNRTYDQALT-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736177788 598847803 /nfs/dbraw/zinc/84/78/03/598847803.db2.gz VBPYPNRTYDQALT-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736103961 598847915 /nfs/dbraw/zinc/84/79/15/598847915.db2.gz YGSNVJJNCDSFLA-NYHXXUGCSA-N -1 3 386.415 3.412 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736103961 598847917 /nfs/dbraw/zinc/84/79/17/598847917.db2.gz YGSNVJJNCDSFLA-NYHXXUGCSA-N -1 3 386.415 3.412 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(Cc1ccccc1)C(C)C ZINC000737526222 598850302 /nfs/dbraw/zinc/85/03/02/598850302.db2.gz YNDUIQHBRKNMCF-UHFFFAOYSA-N -1 3 388.479 3.302 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(Cc1ccccc1)C(C)C ZINC000737526222 598850305 /nfs/dbraw/zinc/85/03/05/598850305.db2.gz YNDUIQHBRKNMCF-UHFFFAOYSA-N -1 3 388.479 3.302 20 0 GGADHM C[C@]1(CNC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCOC1 ZINC000736216384 598850377 /nfs/dbraw/zinc/85/03/77/598850377.db2.gz HEWZNDOZBIJWOH-HXUWFJFHSA-N -1 3 394.435 3.207 20 0 GGADHM C[C@]1(CNC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCOC1 ZINC000736216384 598850380 /nfs/dbraw/zinc/85/03/80/598850380.db2.gz HEWZNDOZBIJWOH-HXUWFJFHSA-N -1 3 394.435 3.207 20 0 GGADHM COCCOc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737016502 598850630 /nfs/dbraw/zinc/85/06/30/598850630.db2.gz YPWUZCLSZMVEEB-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM COCCOc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737016502 598850631 /nfs/dbraw/zinc/85/06/31/598850631.db2.gz YPWUZCLSZMVEEB-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM CCCCN(Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC000736457029 598850802 /nfs/dbraw/zinc/85/08/02/598850802.db2.gz KDBMTZVNEGNGGM-UHFFFAOYSA-N -1 3 394.405 3.056 20 0 GGADHM CCCCN(Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC000736457029 598850804 /nfs/dbraw/zinc/85/08/04/598850804.db2.gz KDBMTZVNEGNGGM-UHFFFAOYSA-N -1 3 394.405 3.056 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@@H](C)C1 ZINC000736243529 598851995 /nfs/dbraw/zinc/85/19/95/598851995.db2.gz VWZJZTRFJLNJNC-SCVCMEIPSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@@H](C)C1 ZINC000736243529 598851996 /nfs/dbraw/zinc/85/19/96/598851996.db2.gz VWZJZTRFJLNJNC-SCVCMEIPSA-N -1 3 380.399 3.414 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736602246 598852330 /nfs/dbraw/zinc/85/23/30/598852330.db2.gz FXEQERUBJLWGBX-UHFFFAOYSA-N -1 3 385.359 3.218 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736602246 598852331 /nfs/dbraw/zinc/85/23/31/598852331.db2.gz FXEQERUBJLWGBX-UHFFFAOYSA-N -1 3 385.359 3.218 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736818736 598852483 /nfs/dbraw/zinc/85/24/83/598852483.db2.gz XBDMUCIPDKPVTD-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736818736 598852484 /nfs/dbraw/zinc/85/24/84/598852484.db2.gz XBDMUCIPDKPVTD-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM COCc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737018578 598852585 /nfs/dbraw/zinc/85/25/85/598852585.db2.gz YEQQQDLPRXTEHU-UHFFFAOYSA-N -1 3 390.350 3.259 20 0 GGADHM COCc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737018578 598852587 /nfs/dbraw/zinc/85/25/87/598852587.db2.gz YEQQQDLPRXTEHU-UHFFFAOYSA-N -1 3 390.350 3.259 20 0 GGADHM Fc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1NC[C@H]1CCCO1 ZINC000737652870 598857176 /nfs/dbraw/zinc/85/71/76/598857176.db2.gz PFNSFXVKZAVZDZ-GFCCVEGCSA-N -1 3 389.822 3.389 20 0 GGADHM Fc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1NC[C@H]1CCCO1 ZINC000737652870 598857177 /nfs/dbraw/zinc/85/71/77/598857177.db2.gz PFNSFXVKZAVZDZ-GFCCVEGCSA-N -1 3 389.822 3.389 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cccc2ccccc21 ZINC000736900768 598859511 /nfs/dbraw/zinc/85/95/11/598859511.db2.gz FWNFTGZGCAKTAH-HXUWFJFHSA-N -1 3 387.443 3.366 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cccc2ccccc21 ZINC000736900768 598859512 /nfs/dbraw/zinc/85/95/12/598859512.db2.gz FWNFTGZGCAKTAH-HXUWFJFHSA-N -1 3 387.443 3.366 20 0 GGADHM COC(=O)[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896927 598861776 /nfs/dbraw/zinc/86/17/76/598861776.db2.gz PGUZUDONCLYMQV-RBUKOAKNSA-N -1 3 377.448 3.212 20 0 GGADHM COC(=O)[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896927 598861778 /nfs/dbraw/zinc/86/17/78/598861778.db2.gz PGUZUDONCLYMQV-RBUKOAKNSA-N -1 3 377.448 3.212 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CCc1cccc(F)c1)C1CC1 ZINC000737941912 598866074 /nfs/dbraw/zinc/86/60/74/598866074.db2.gz GFOAOQZRNRCORA-UHFFFAOYSA-N -1 3 397.479 3.332 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CCc1cccc(F)c1)C1CC1 ZINC000737941912 598866076 /nfs/dbraw/zinc/86/60/76/598866076.db2.gz GFOAOQZRNRCORA-UHFFFAOYSA-N -1 3 397.479 3.332 20 0 GGADHM Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737245790 598867521 /nfs/dbraw/zinc/86/75/21/598867521.db2.gz OXGRHVZQAGOXNA-UHFFFAOYSA-N -1 3 390.440 3.379 20 0 GGADHM Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737245790 598867522 /nfs/dbraw/zinc/86/75/22/598867522.db2.gz OXGRHVZQAGOXNA-UHFFFAOYSA-N -1 3 390.440 3.379 20 0 GGADHM CCn1cc(CN(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cn1 ZINC000736723495 598868741 /nfs/dbraw/zinc/86/87/41/598868741.db2.gz XALNFAGIAUVILB-UHFFFAOYSA-N -1 3 387.447 3.022 20 0 GGADHM CCn1cc(CN(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cn1 ZINC000736723495 598868742 /nfs/dbraw/zinc/86/87/42/598868742.db2.gz XALNFAGIAUVILB-UHFFFAOYSA-N -1 3 387.447 3.022 20 0 GGADHM CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736780545 598870698 /nfs/dbraw/zinc/87/06/98/598870698.db2.gz XFILZWROKCDKIL-UHFFFAOYSA-N -1 3 395.504 3.231 20 0 GGADHM CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736780545 598870700 /nfs/dbraw/zinc/87/07/00/598870700.db2.gz XFILZWROKCDKIL-UHFFFAOYSA-N -1 3 395.504 3.231 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735736047 598874523 /nfs/dbraw/zinc/87/45/23/598874523.db2.gz RLDSKCWZRHFZLM-QGZVFWFLSA-N -1 3 389.456 3.024 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735736047 598874525 /nfs/dbraw/zinc/87/45/25/598874525.db2.gz RLDSKCWZRHFZLM-QGZVFWFLSA-N -1 3 389.456 3.024 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000736478708 598876963 /nfs/dbraw/zinc/87/69/63/598876963.db2.gz ARQLFKMOMOMHFR-INIZCTEOSA-N -1 3 394.479 3.256 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000736478708 598876964 /nfs/dbraw/zinc/87/69/64/598876964.db2.gz ARQLFKMOMOMHFR-INIZCTEOSA-N -1 3 394.479 3.256 20 0 GGADHM COC(=O)[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897577 598879805 /nfs/dbraw/zinc/87/98/05/598879805.db2.gz SGJJTUYFBONNNY-CVEARBPZSA-N -1 3 399.451 3.047 20 0 GGADHM COC(=O)[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897577 598879807 /nfs/dbraw/zinc/87/98/07/598879807.db2.gz SGJJTUYFBONNNY-CVEARBPZSA-N -1 3 399.451 3.047 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896671 598880128 /nfs/dbraw/zinc/88/01/28/598880128.db2.gz JGXDFOMOQSMAJO-AWEZNQCLSA-N -1 3 393.325 3.092 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896671 598880129 /nfs/dbraw/zinc/88/01/29/598880129.db2.gz JGXDFOMOQSMAJO-AWEZNQCLSA-N -1 3 393.325 3.092 20 0 GGADHM COC(=O)[C@H](NCCc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892793 598880977 /nfs/dbraw/zinc/88/09/77/598880977.db2.gz BRTUZTYOYZNAQG-HXUWFJFHSA-N -1 3 387.443 3.066 20 0 GGADHM COC(=O)[C@H](NCCc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892793 598880979 /nfs/dbraw/zinc/88/09/79/598880979.db2.gz BRTUZTYOYZNAQG-HXUWFJFHSA-N -1 3 387.443 3.066 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898130 598881694 /nfs/dbraw/zinc/88/16/94/598881694.db2.gz UGCWURUITDOETH-AUUYWEPGSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898130 598881696 /nfs/dbraw/zinc/88/16/96/598881696.db2.gz UGCWURUITDOETH-AUUYWEPGSA-N -1 3 395.463 3.219 20 0 GGADHM Cc1ccc(OCCCC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737365741 598881926 /nfs/dbraw/zinc/88/19/26/598881926.db2.gz MMSALNSFXDQXOF-MRXNPFEDSA-N -1 3 396.447 3.345 20 0 GGADHM Cc1ccc(OCCCC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737365741 598881927 /nfs/dbraw/zinc/88/19/27/598881927.db2.gz MMSALNSFXDQXOF-MRXNPFEDSA-N -1 3 396.447 3.345 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000736037858 598882510 /nfs/dbraw/zinc/88/25/10/598882510.db2.gz PHSGSUDAVZNDMN-KBPBESRZSA-N -1 3 384.411 3.195 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000736037858 598882511 /nfs/dbraw/zinc/88/25/11/598882511.db2.gz PHSGSUDAVZNDMN-KBPBESRZSA-N -1 3 384.411 3.195 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)SCc1ccccc1 ZINC000736037391 598882556 /nfs/dbraw/zinc/88/25/56/598882556.db2.gz KUQITWWLEQKKNS-HUUCEWRRSA-N -1 3 398.488 3.499 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)SCc1ccccc1 ZINC000736037391 598882558 /nfs/dbraw/zinc/88/25/58/598882558.db2.gz KUQITWWLEQKKNS-HUUCEWRRSA-N -1 3 398.488 3.499 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1csc(-c2ccoc2)n1 ZINC000736041498 598883349 /nfs/dbraw/zinc/88/33/49/598883349.db2.gz WQTLILDDMADRTA-NSHDSACASA-N -1 3 397.416 3.208 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1csc(-c2ccoc2)n1 ZINC000736041498 598883351 /nfs/dbraw/zinc/88/33/51/598883351.db2.gz WQTLILDDMADRTA-NSHDSACASA-N -1 3 397.416 3.208 20 0 GGADHM CC(=CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735449076 598883527 /nfs/dbraw/zinc/88/35/27/598883527.db2.gz VGJHOKPVDYLSTJ-XXYUJHKVSA-N -1 3 382.395 3.420 20 0 GGADHM CC(=CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735449076 598883529 /nfs/dbraw/zinc/88/35/29/598883529.db2.gz VGJHOKPVDYLSTJ-XXYUJHKVSA-N -1 3 382.395 3.420 20 0 GGADHM COC(=O)[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896427 598883569 /nfs/dbraw/zinc/88/35/69/598883569.db2.gz NGOCFSRQVSPYLO-DLBZAZTESA-N -1 3 383.839 3.011 20 0 GGADHM COC(=O)[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896427 598883570 /nfs/dbraw/zinc/88/35/70/598883570.db2.gz NGOCFSRQVSPYLO-DLBZAZTESA-N -1 3 383.839 3.011 20 0 GGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735449071 598883763 /nfs/dbraw/zinc/88/37/63/598883763.db2.gz VGJHOKPVDYLSTJ-KADHNRKRSA-N -1 3 382.395 3.420 20 0 GGADHM CC(=CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735449071 598883765 /nfs/dbraw/zinc/88/37/65/598883765.db2.gz VGJHOKPVDYLSTJ-KADHNRKRSA-N -1 3 382.395 3.420 20 0 GGADHM CC(C)Oc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735915978 598883951 /nfs/dbraw/zinc/88/39/51/598883951.db2.gz XBIUMWUDERSASN-CQSZACIVSA-N -1 3 382.420 3.278 20 0 GGADHM CC(C)Oc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735915978 598883953 /nfs/dbraw/zinc/88/39/53/598883953.db2.gz XBIUMWUDERSASN-CQSZACIVSA-N -1 3 382.420 3.278 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1ccc(Cl)cc1 ZINC000736036691 598885441 /nfs/dbraw/zinc/88/54/41/598885441.db2.gz GLNDKSKOMQQFKW-ZDUSSCGKSA-N -1 3 386.839 3.463 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1ccc(Cl)cc1 ZINC000736036691 598885442 /nfs/dbraw/zinc/88/54/42/598885442.db2.gz GLNDKSKOMQQFKW-ZDUSSCGKSA-N -1 3 386.839 3.463 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899728 598886838 /nfs/dbraw/zinc/88/68/38/598886838.db2.gz ZSSGGDDENBFLAZ-BDJLRTHQSA-N -1 3 394.460 3.041 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899728 598886841 /nfs/dbraw/zinc/88/68/41/598886841.db2.gz ZSSGGDDENBFLAZ-BDJLRTHQSA-N -1 3 394.460 3.041 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ncc(-c2ccccc2)o1 ZINC000736115778 598888746 /nfs/dbraw/zinc/88/87/46/598888746.db2.gz JEXZCDYWHCLKDE-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ncc(-c2ccccc2)o1 ZINC000736115778 598888748 /nfs/dbraw/zinc/88/87/48/598888748.db2.gz JEXZCDYWHCLKDE-LBPRGKRZSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1cc2ccccc2o1 ZINC000736037186 598887119 /nfs/dbraw/zinc/88/71/19/598887119.db2.gz KCAMSRFGGLMBST-ZDUSSCGKSA-N -1 3 378.388 3.166 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1cc2ccccc2o1 ZINC000736037186 598887120 /nfs/dbraw/zinc/88/71/20/598887120.db2.gz KCAMSRFGGLMBST-ZDUSSCGKSA-N -1 3 378.388 3.166 20 0 GGADHM C[C@@H]1CC(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000736222883 598888453 /nfs/dbraw/zinc/88/84/53/598888453.db2.gz GZLKAQTXGJTUHI-KBPBESRZSA-N -1 3 388.541 3.224 20 0 GGADHM C[C@@H]1CC(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000736222883 598888454 /nfs/dbraw/zinc/88/84/54/598888454.db2.gz GZLKAQTXGJTUHI-KBPBESRZSA-N -1 3 388.541 3.224 20 0 GGADHM CCOc1ccccc1CCC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736654046 598889895 /nfs/dbraw/zinc/88/98/95/598889895.db2.gz PBIFVCWECHTROE-HNNXBMFYSA-N -1 3 396.447 3.209 20 0 GGADHM CCOc1ccccc1CCC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736654046 598889896 /nfs/dbraw/zinc/88/98/96/598889896.db2.gz PBIFVCWECHTROE-HNNXBMFYSA-N -1 3 396.447 3.209 20 0 GGADHM CSC[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737176663 598891160 /nfs/dbraw/zinc/89/11/60/598891160.db2.gz PAYJCVSVAKLQOL-NSHDSACASA-N -1 3 388.522 3.146 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1ccc(F)nc1 ZINC000737280827 598894004 /nfs/dbraw/zinc/89/40/04/598894004.db2.gz TWSBNTBFPFRTAG-UHFFFAOYSA-N -1 3 391.366 3.149 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901964 598896943 /nfs/dbraw/zinc/89/69/43/598896943.db2.gz PWOYZDONNYNQII-INIZCTEOSA-N -1 3 394.412 3.153 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901964 598896945 /nfs/dbraw/zinc/89/69/45/598896945.db2.gz PWOYZDONNYNQII-INIZCTEOSA-N -1 3 394.412 3.153 20 0 GGADHM Cn1c(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)nnc1C1CC1 ZINC000737590025 598902331 /nfs/dbraw/zinc/90/23/31/598902331.db2.gz FNFFYNMYQFMNLL-UHFFFAOYSA-N -1 3 390.476 3.227 20 0 GGADHM Cn1c(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)nnc1C1CC1 ZINC000737590025 598902334 /nfs/dbraw/zinc/90/23/34/598902334.db2.gz FNFFYNMYQFMNLL-UHFFFAOYSA-N -1 3 390.476 3.227 20 0 GGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737953785 598902844 /nfs/dbraw/zinc/90/28/44/598902844.db2.gz BCOUHADDINZEER-UHFFFAOYSA-N -1 3 397.822 3.166 20 0 GGADHM Cc1ccc(OCc2cccc(C(=O)Nc3sccc3-c3nnn[n-]3)c2)cn1 ZINC000737364703 598904115 /nfs/dbraw/zinc/90/41/15/598904115.db2.gz CQMJXNAVWLZVKX-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1ccc(OCc2cccc(C(=O)Nc3sccc3-c3nn[n-]n3)c2)cn1 ZINC000737364703 598904118 /nfs/dbraw/zinc/90/41/18/598904118.db2.gz CQMJXNAVWLZVKX-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000737263345 598905023 /nfs/dbraw/zinc/90/50/23/598905023.db2.gz TZIHBYSVUAYNNC-UHFFFAOYSA-N -1 3 376.376 3.137 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000737263345 598905025 /nfs/dbraw/zinc/90/50/25/598905025.db2.gz TZIHBYSVUAYNNC-UHFFFAOYSA-N -1 3 376.376 3.137 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(F)nc1 ZINC000738174323 598905057 /nfs/dbraw/zinc/90/50/57/598905057.db2.gz WZGBSBJCSKRRSX-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735700470 598905514 /nfs/dbraw/zinc/90/55/14/598905514.db2.gz GYLITNNOCYLBSW-LLVKDONJSA-N -1 3 387.431 3.394 20 0 GGADHM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735700470 598905516 /nfs/dbraw/zinc/90/55/16/598905516.db2.gz GYLITNNOCYLBSW-LLVKDONJSA-N -1 3 387.431 3.394 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735985365 598905879 /nfs/dbraw/zinc/90/58/79/598905879.db2.gz KCKGIQUVEKLDSV-HNNXBMFYSA-N -1 3 383.496 3.453 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000737261931 598906516 /nfs/dbraw/zinc/90/65/16/598906516.db2.gz IHWVIGVGEZRMLL-UHFFFAOYSA-N -1 3 376.376 3.137 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000737261931 598906517 /nfs/dbraw/zinc/90/65/17/598906517.db2.gz IHWVIGVGEZRMLL-UHFFFAOYSA-N -1 3 376.376 3.137 20 0 GGADHM C[C@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736267584 598907321 /nfs/dbraw/zinc/90/73/21/598907321.db2.gz ORIIFHRLFLHYKF-AWEZNQCLSA-N -1 3 381.436 3.443 20 0 GGADHM C[C@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736267584 598907322 /nfs/dbraw/zinc/90/73/22/598907322.db2.gz ORIIFHRLFLHYKF-AWEZNQCLSA-N -1 3 381.436 3.443 20 0 GGADHM C[C@@H]1CCCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736266842 598907429 /nfs/dbraw/zinc/90/74/29/598907429.db2.gz KNZCTSKISZQBPB-CQSZACIVSA-N -1 3 381.436 3.443 20 0 GGADHM O=C(Nc1cc(Cl)ccn1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738143485 598909981 /nfs/dbraw/zinc/90/99/81/598909981.db2.gz DORNZLILGNXUOF-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1cc(Cl)ccn1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738143485 598909983 /nfs/dbraw/zinc/90/99/83/598909983.db2.gz DORNZLILGNXUOF-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000736637701 598911747 /nfs/dbraw/zinc/91/17/47/598911747.db2.gz YNXOPZUIQXJRNF-LBPRGKRZSA-N -1 3 399.476 3.393 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000736637701 598911749 /nfs/dbraw/zinc/91/17/49/598911749.db2.gz YNXOPZUIQXJRNF-LBPRGKRZSA-N -1 3 399.476 3.393 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000737057046 598912607 /nfs/dbraw/zinc/91/26/07/598912607.db2.gz GFRBVABMAQXJQV-LLVKDONJSA-N -1 3 385.449 3.003 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000737057046 598912609 /nfs/dbraw/zinc/91/26/09/598912609.db2.gz GFRBVABMAQXJQV-LLVKDONJSA-N -1 3 385.449 3.003 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(C(C)C)no1 ZINC000736481687 598921943 /nfs/dbraw/zinc/92/19/43/598921943.db2.gz SLEUXACLDSDIFQ-UHFFFAOYSA-N -1 3 383.456 3.100 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(C(C)C)no1 ZINC000736481687 598921945 /nfs/dbraw/zinc/92/19/45/598921945.db2.gz SLEUXACLDSDIFQ-UHFFFAOYSA-N -1 3 383.456 3.100 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735984007 598922390 /nfs/dbraw/zinc/92/23/90/598922390.db2.gz AUQXYPDPJMIJAP-NSHDSACASA-N -1 3 391.859 3.218 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735984007 598922391 /nfs/dbraw/zinc/92/23/91/598922391.db2.gz AUQXYPDPJMIJAP-NSHDSACASA-N -1 3 391.859 3.218 20 0 GGADHM CC[C@@H](CC1CCCCC1)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736349994 598922815 /nfs/dbraw/zinc/92/28/15/598922815.db2.gz KHIFIHYCRCIUCN-KRWDZBQOSA-N -1 3 399.495 3.023 20 0 GGADHM CC[C@@H](CC1CCCCC1)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736349994 598922817 /nfs/dbraw/zinc/92/28/17/598922817.db2.gz KHIFIHYCRCIUCN-KRWDZBQOSA-N -1 3 399.495 3.023 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736404952 598923211 /nfs/dbraw/zinc/92/32/11/598923211.db2.gz CEYCNVDXBXHRFX-GOSISDBHSA-N -1 3 380.427 3.225 20 0 GGADHM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736404952 598923212 /nfs/dbraw/zinc/92/32/12/598923212.db2.gz CEYCNVDXBXHRFX-GOSISDBHSA-N -1 3 380.427 3.225 20 0 GGADHM Cc1ccc([C@H]2CCC[C@H]2OC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737332994 598925018 /nfs/dbraw/zinc/92/50/18/598925018.db2.gz ZLOUEGIEQWEEOE-VQIMIIECSA-N -1 3 378.432 3.433 20 0 GGADHM Cc1ccc([C@H]2CCC[C@H]2OC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737332994 598925021 /nfs/dbraw/zinc/92/50/21/598925021.db2.gz ZLOUEGIEQWEEOE-VQIMIIECSA-N -1 3 378.432 3.433 20 0 GGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000736743073 598926570 /nfs/dbraw/zinc/92/65/70/598926570.db2.gz YJASYGJCUJQAHE-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000736743073 598926571 /nfs/dbraw/zinc/92/65/71/598926571.db2.gz YJASYGJCUJQAHE-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM O=C(OCc1cccnc1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738233158 598927088 /nfs/dbraw/zinc/92/70/88/598927088.db2.gz DNFFQRXSNHIWCL-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(OCc1cccnc1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738233158 598927090 /nfs/dbraw/zinc/92/70/90/598927090.db2.gz DNFFQRXSNHIWCL-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735747682 598928642 /nfs/dbraw/zinc/92/86/42/598928642.db2.gz FYBBWIIKTDAOJP-VQIMIIECSA-N -1 3 382.512 3.120 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736098380 598928919 /nfs/dbraw/zinc/92/89/19/598928919.db2.gz DRHRZWPFAJTQTQ-NLYDNYMLSA-N -1 3 376.445 3.367 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736098380 598928920 /nfs/dbraw/zinc/92/89/20/598928920.db2.gz DRHRZWPFAJTQTQ-NLYDNYMLSA-N -1 3 376.445 3.367 20 0 GGADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736331104 598932164 /nfs/dbraw/zinc/93/21/64/598932164.db2.gz OWKKWEDWBPUFFW-LHSJRXKWSA-N -1 3 379.464 3.061 20 0 GGADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736331104 598932165 /nfs/dbraw/zinc/93/21/65/598932165.db2.gz OWKKWEDWBPUFFW-LHSJRXKWSA-N -1 3 379.464 3.061 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000737563814 598936240 /nfs/dbraw/zinc/93/62/40/598936240.db2.gz GPIPNNCJROYCHU-UHFFFAOYSA-N -1 3 376.877 3.307 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000737563814 598936241 /nfs/dbraw/zinc/93/62/41/598936241.db2.gz GPIPNNCJROYCHU-UHFFFAOYSA-N -1 3 376.877 3.307 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000737558532 598939209 /nfs/dbraw/zinc/93/92/09/598939209.db2.gz MWJIEAFUYZRAMS-MRXNPFEDSA-N -1 3 384.827 3.250 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000737558532 598939211 /nfs/dbraw/zinc/93/92/11/598939211.db2.gz MWJIEAFUYZRAMS-MRXNPFEDSA-N -1 3 384.827 3.250 20 0 GGADHM CC(C)N(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCC1 ZINC000735857006 598940359 /nfs/dbraw/zinc/94/03/59/598940359.db2.gz OMIMRDWSPQEJAK-UHFFFAOYSA-N -1 3 381.436 3.442 20 0 GGADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000736470740 598945449 /nfs/dbraw/zinc/94/54/49/598945449.db2.gz UIIRUURVOWSJGC-ROUUACIJSA-N -1 3 383.496 3.457 20 0 GGADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000736470740 598945451 /nfs/dbraw/zinc/94/54/51/598945451.db2.gz UIIRUURVOWSJGC-ROUUACIJSA-N -1 3 383.496 3.457 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)Cc1ccc2ccccc2c1 ZINC000737296512 598948303 /nfs/dbraw/zinc/94/83/03/598948303.db2.gz JHLVYBVGMXRQRJ-UHFFFAOYSA-N -1 3 393.472 3.149 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)Cc1ccc2ccccc2c1 ZINC000737296512 598948305 /nfs/dbraw/zinc/94/83/05/598948305.db2.gz JHLVYBVGMXRQRJ-UHFFFAOYSA-N -1 3 393.472 3.149 20 0 GGADHM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737331027 598950558 /nfs/dbraw/zinc/95/05/58/598950558.db2.gz LKVLKBJWZNPMNG-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737331027 598950560 /nfs/dbraw/zinc/95/05/60/598950560.db2.gz LKVLKBJWZNPMNG-QGZVFWFLSA-N -1 3 383.477 3.009 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736226201 598951450 /nfs/dbraw/zinc/95/14/50/598951450.db2.gz GHKVYSXPDPSMJB-LSDHHAIUSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736226201 598951451 /nfs/dbraw/zinc/95/14/51/598951451.db2.gz GHKVYSXPDPSMJB-LSDHHAIUSA-N -1 3 377.448 3.316 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1csc2ccccc21 ZINC000737298109 598956470 /nfs/dbraw/zinc/95/64/70/598956470.db2.gz ONHMEAFAIZDINV-LBPRGKRZSA-N -1 3 399.501 3.429 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1csc2ccccc21 ZINC000737298109 598956473 /nfs/dbraw/zinc/95/64/73/598956473.db2.gz ONHMEAFAIZDINV-LBPRGKRZSA-N -1 3 399.501 3.429 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000736116857 598965533 /nfs/dbraw/zinc/96/55/33/598965533.db2.gz OHODQFWQXIEZPL-SECBINFHSA-N -1 3 383.412 3.498 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000736116857 598965535 /nfs/dbraw/zinc/96/55/35/598965535.db2.gz OHODQFWQXIEZPL-SECBINFHSA-N -1 3 383.412 3.498 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000821412535 607255688 /nfs/dbraw/zinc/25/56/88/607255688.db2.gz NTQONENQSHYSIP-UHFFFAOYSA-N -1 3 396.842 3.112 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000821412535 607255689 /nfs/dbraw/zinc/25/56/89/607255689.db2.gz NTQONENQSHYSIP-UHFFFAOYSA-N -1 3 396.842 3.112 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C=Cc1ccccc1 ZINC000736508864 598971412 /nfs/dbraw/zinc/97/14/12/598971412.db2.gz PGHAOQYRXVFPQQ-SZGUKTLCSA-N -1 3 383.477 3.250 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C=Cc1ccccc1 ZINC000736508864 598971414 /nfs/dbraw/zinc/97/14/14/598971414.db2.gz PGHAOQYRXVFPQQ-SZGUKTLCSA-N -1 3 383.477 3.250 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc2ccccc2n1 ZINC000736635419 598972942 /nfs/dbraw/zinc/97/29/42/598972942.db2.gz TUENVFLFMGCORJ-UHFFFAOYSA-N -1 3 389.419 3.135 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc2ccccc2n1 ZINC000736635419 598972944 /nfs/dbraw/zinc/97/29/44/598972944.db2.gz TUENVFLFMGCORJ-UHFFFAOYSA-N -1 3 389.419 3.135 20 0 GGADHM OCC[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738393135 598974814 /nfs/dbraw/zinc/97/48/14/598974814.db2.gz JSUMATTYAINFOJ-CYBMUJFWSA-N -1 3 377.370 3.464 20 0 GGADHM OCC[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738393135 598974815 /nfs/dbraw/zinc/97/48/15/598974815.db2.gz JSUMATTYAINFOJ-CYBMUJFWSA-N -1 3 377.370 3.464 20 0 GGADHM Fc1cc(NC[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822753586 607256201 /nfs/dbraw/zinc/25/62/01/607256201.db2.gz OMJWEABYEPVZFQ-HNNXBMFYSA-N -1 3 383.427 3.423 20 0 GGADHM Fc1cc(NC[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822753586 607256202 /nfs/dbraw/zinc/25/62/02/607256202.db2.gz OMJWEABYEPVZFQ-HNNXBMFYSA-N -1 3 383.427 3.423 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000737223496 598996190 /nfs/dbraw/zinc/99/61/90/598996190.db2.gz HQQVKAPNRUFDBK-AWEZNQCLSA-N -1 3 393.472 3.368 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000737223496 598996193 /nfs/dbraw/zinc/99/61/93/598996193.db2.gz HQQVKAPNRUFDBK-AWEZNQCLSA-N -1 3 393.472 3.368 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000737222072 598997207 /nfs/dbraw/zinc/99/72/07/598997207.db2.gz VEYVUXMBUDYFMV-ZDUSSCGKSA-N -1 3 397.460 3.303 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000737222072 598997209 /nfs/dbraw/zinc/99/72/09/598997209.db2.gz VEYVUXMBUDYFMV-ZDUSSCGKSA-N -1 3 397.460 3.303 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1CCC(c2ccccc2)CC1 ZINC000737223366 598997818 /nfs/dbraw/zinc/99/78/18/598997818.db2.gz FZYHDBMDIMGPBP-UHFFFAOYSA-N -1 3 397.504 3.180 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1CCC(c2ccccc2)CC1 ZINC000737223366 598997820 /nfs/dbraw/zinc/99/78/20/598997820.db2.gz FZYHDBMDIMGPBP-UHFFFAOYSA-N -1 3 397.504 3.180 20 0 GGADHM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc(C)c1Cl ZINC000737225855 598999801 /nfs/dbraw/zinc/99/98/01/598999801.db2.gz JLKIBQLYYYLCIR-UHFFFAOYSA-N -1 3 378.841 3.213 20 0 GGADHM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc(C)c1Cl ZINC000737225855 598999803 /nfs/dbraw/zinc/99/98/03/598999803.db2.gz JLKIBQLYYYLCIR-UHFFFAOYSA-N -1 3 378.841 3.213 20 0 GGADHM CCc1c(C)sc(NC(=O)C[C@@H]2OCCc3ccccc32)c1-c1nnn[n-]1 ZINC000736669243 599001428 /nfs/dbraw/zinc/00/14/28/599001428.db2.gz ATYPJUYKBCVZKU-HNNXBMFYSA-N -1 3 383.477 3.442 20 0 GGADHM CCc1c(C)sc(NC(=O)C[C@@H]2OCCc3ccccc32)c1-c1nn[n-]n1 ZINC000736669243 599001430 /nfs/dbraw/zinc/00/14/30/599001430.db2.gz ATYPJUYKBCVZKU-HNNXBMFYSA-N -1 3 383.477 3.442 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(Cc1ccccc1)CC(C)C ZINC000737221779 599002134 /nfs/dbraw/zinc/00/21/34/599002134.db2.gz REJFMBOKRGWNIN-UHFFFAOYSA-N -1 3 385.493 3.022 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(Cc1ccccc1)CC(C)C ZINC000737221779 599002136 /nfs/dbraw/zinc/00/21/36/599002136.db2.gz REJFMBOKRGWNIN-UHFFFAOYSA-N -1 3 385.493 3.022 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737220098 599003323 /nfs/dbraw/zinc/00/33/23/599003323.db2.gz BCDPZIBFMYFNPI-QGZVFWFLSA-N -1 3 397.504 3.134 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737220098 599003325 /nfs/dbraw/zinc/00/33/25/599003325.db2.gz BCDPZIBFMYFNPI-QGZVFWFLSA-N -1 3 397.504 3.134 20 0 GGADHM Cc1cc(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc12 ZINC000737283208 599011504 /nfs/dbraw/zinc/01/15/04/599011504.db2.gz OGGDKPNWBSINGW-QGZVFWFLSA-N -1 3 376.445 3.042 20 0 GGADHM Cc1cc(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC000737283208 599011506 /nfs/dbraw/zinc/01/15/06/599011506.db2.gz OGGDKPNWBSINGW-QGZVFWFLSA-N -1 3 376.445 3.042 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)n1 ZINC000737240040 599011612 /nfs/dbraw/zinc/01/16/12/599011612.db2.gz HNIFIIIFOXHYFB-OAHLLOKOSA-N -1 3 398.467 3.305 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)n1 ZINC000737240040 599011614 /nfs/dbraw/zinc/01/16/14/599011614.db2.gz HNIFIIIFOXHYFB-OAHLLOKOSA-N -1 3 398.467 3.305 20 0 GGADHM Fc1ccc(OC2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000737656930 599014888 /nfs/dbraw/zinc/01/48/88/599014888.db2.gz QYLVKWJQINTPGF-UHFFFAOYSA-N -1 3 398.467 3.246 20 0 GGADHM Fc1ccc(OC2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000737656930 599014890 /nfs/dbraw/zinc/01/48/90/599014890.db2.gz QYLVKWJQINTPGF-UHFFFAOYSA-N -1 3 398.467 3.246 20 0 GGADHM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738039992 599012755 /nfs/dbraw/zinc/01/27/55/599012755.db2.gz NZJRJSABRPUVPX-CYBMUJFWSA-N -1 3 393.234 3.029 20 0 GGADHM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738039992 599012757 /nfs/dbraw/zinc/01/27/57/599012757.db2.gz NZJRJSABRPUVPX-CYBMUJFWSA-N -1 3 393.234 3.029 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736396992 599013969 /nfs/dbraw/zinc/01/39/69/599013969.db2.gz PZSPXQCWPHYNFH-DLBZAZTESA-N -1 3 397.527 3.057 20 0 GGADHM CC[C@H]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736396992 599013971 /nfs/dbraw/zinc/01/39/71/599013971.db2.gz PZSPXQCWPHYNFH-DLBZAZTESA-N -1 3 397.527 3.057 20 0 GGADHM O=C(C[C@H]1CCc2ccccc21)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737819798 599015922 /nfs/dbraw/zinc/01/59/22/599015922.db2.gz PEJFOFXYSCPXIL-MRXNPFEDSA-N -1 3 385.431 3.111 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCSC[C@H]1c1ccccc1 ZINC000737942765 599016038 /nfs/dbraw/zinc/01/60/38/599016038.db2.gz ORBWXSXIRUOXLM-KRWDZBQOSA-N -1 3 397.529 3.276 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCSC[C@H]1c1ccccc1 ZINC000737942765 599016040 /nfs/dbraw/zinc/01/60/40/599016040.db2.gz ORBWXSXIRUOXLM-KRWDZBQOSA-N -1 3 397.529 3.276 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737802376 599017971 /nfs/dbraw/zinc/01/79/71/599017971.db2.gz VSLWVCIZMLPLHI-XFXZXTDPSA-N -1 3 377.423 3.458 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737802376 599017973 /nfs/dbraw/zinc/01/79/73/599017973.db2.gz VSLWVCIZMLPLHI-XFXZXTDPSA-N -1 3 377.423 3.458 20 0 GGADHM CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735758124 599019223 /nfs/dbraw/zinc/01/92/23/599019223.db2.gz XMNQXCVNVIWKMB-GOSISDBHSA-N -1 3 393.447 3.178 20 0 GGADHM CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735758124 599019224 /nfs/dbraw/zinc/01/92/24/599019224.db2.gz XMNQXCVNVIWKMB-GOSISDBHSA-N -1 3 393.447 3.178 20 0 GGADHM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736146102 599020128 /nfs/dbraw/zinc/02/01/28/599020128.db2.gz WYNWTOSOBGGHDH-ZIAGYGMSSA-N -1 3 396.451 3.188 20 0 GGADHM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736146102 599020130 /nfs/dbraw/zinc/02/01/30/599020130.db2.gz WYNWTOSOBGGHDH-ZIAGYGMSSA-N -1 3 396.451 3.188 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C12CCCC2 ZINC000736615778 599020742 /nfs/dbraw/zinc/02/07/42/599020742.db2.gz LTXCFYGCSSMHOX-IRXDYDNUSA-N -1 3 384.484 3.377 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C12CCCC2 ZINC000736615778 599020744 /nfs/dbraw/zinc/02/07/44/599020744.db2.gz LTXCFYGCSSMHOX-IRXDYDNUSA-N -1 3 384.484 3.377 20 0 GGADHM C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736146307 599022024 /nfs/dbraw/zinc/02/20/24/599022024.db2.gz ZQWXQKZWALAMMX-KBPBESRZSA-N -1 3 396.451 3.188 20 0 GGADHM C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736146307 599022026 /nfs/dbraw/zinc/02/20/26/599022026.db2.gz ZQWXQKZWALAMMX-KBPBESRZSA-N -1 3 396.451 3.188 20 0 GGADHM CCc1nc(C)c([C@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736700056 599029474 /nfs/dbraw/zinc/02/94/74/599029474.db2.gz PKLYQKBVYRKNIU-NWDGAFQWSA-N -1 3 387.465 3.266 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000736290368 599029489 /nfs/dbraw/zinc/02/94/89/599029489.db2.gz IKQHSIGPYVZSBD-CQSZACIVSA-N -1 3 395.488 3.023 20 0 GGADHM Cc1ccc(F)c(OCC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737345145 599033330 /nfs/dbraw/zinc/03/33/30/599033330.db2.gz ONSIZXPPQYNUTC-UHFFFAOYSA-N -1 3 383.427 3.382 20 0 GGADHM Cc1ccc(F)c(OCC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737345145 599033332 /nfs/dbraw/zinc/03/33/32/599033332.db2.gz ONSIZXPPQYNUTC-UHFFFAOYSA-N -1 3 383.427 3.382 20 0 GGADHM Cc1nc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c2ccccn12 ZINC000737467230 599035921 /nfs/dbraw/zinc/03/59/21/599035921.db2.gz NVIXVEQKRLXKNS-UHFFFAOYSA-N -1 3 375.436 3.126 20 0 GGADHM Cc1nc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c2ccccn12 ZINC000737467230 599035923 /nfs/dbraw/zinc/03/59/23/599035923.db2.gz NVIXVEQKRLXKNS-UHFFFAOYSA-N -1 3 375.436 3.126 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000735736962 599036696 /nfs/dbraw/zinc/03/66/96/599036696.db2.gz XOOVLXHMTRXQJF-MRXNPFEDSA-N -1 3 391.353 3.326 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000735736962 599036699 /nfs/dbraw/zinc/03/66/99/599036699.db2.gz XOOVLXHMTRXQJF-MRXNPFEDSA-N -1 3 391.353 3.326 20 0 GGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)N(C)c1ccccc1 ZINC000736026464 599042625 /nfs/dbraw/zinc/04/26/25/599042625.db2.gz OHTIQRDEEDFIEI-LLVKDONJSA-N -1 3 377.374 3.217 20 0 GGADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)N(C)c1ccccc1 ZINC000736026464 599042628 /nfs/dbraw/zinc/04/26/28/599042628.db2.gz OHTIQRDEEDFIEI-LLVKDONJSA-N -1 3 377.374 3.217 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737398987 599044716 /nfs/dbraw/zinc/04/47/16/599044716.db2.gz GWNKGQWNBYYGOC-MDZDMXLPSA-N -1 3 388.475 3.291 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737398987 599044719 /nfs/dbraw/zinc/04/47/19/599044719.db2.gz GWNKGQWNBYYGOC-MDZDMXLPSA-N -1 3 388.475 3.291 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC(OC3CCCC3)CC2)n1 ZINC000737633251 599052439 /nfs/dbraw/zinc/05/24/39/599052439.db2.gz PMFFOAZRRBXFTN-UHFFFAOYSA-N -1 3 382.390 3.209 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC(OC3CCCC3)CC2)n1 ZINC000737633251 599052442 /nfs/dbraw/zinc/05/24/42/599052442.db2.gz PMFFOAZRRBXFTN-UHFFFAOYSA-N -1 3 382.390 3.209 20 0 GGADHM Cc1ccc2c(c1C)OC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737379622 599054265 /nfs/dbraw/zinc/05/42/65/599054265.db2.gz ZUWPSPLCHGGUEY-LBPRGKRZSA-N -1 3 376.342 3.443 20 0 GGADHM Cc1ccc2c(c1C)OC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737379622 599054268 /nfs/dbraw/zinc/05/42/68/599054268.db2.gz ZUWPSPLCHGGUEY-LBPRGKRZSA-N -1 3 376.342 3.443 20 0 GGADHM CCCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cn1 ZINC000736489777 599056657 /nfs/dbraw/zinc/05/66/57/599056657.db2.gz ASFAAZFGKBNUFV-UHFFFAOYSA-N -1 3 379.346 3.076 20 0 GGADHM CCCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cn1 ZINC000736489777 599056658 /nfs/dbraw/zinc/05/66/58/599056658.db2.gz ASFAAZFGKBNUFV-UHFFFAOYSA-N -1 3 379.346 3.076 20 0 GGADHM Fc1ccc2c(c1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCO2 ZINC000737667378 599057760 /nfs/dbraw/zinc/05/77/60/599057760.db2.gz PSPIRKIUHXKSOG-NSHDSACASA-N -1 3 380.305 3.355 20 0 GGADHM Fc1ccc2c(c1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCO2 ZINC000737667378 599057762 /nfs/dbraw/zinc/05/77/62/599057762.db2.gz PSPIRKIUHXKSOG-NSHDSACASA-N -1 3 380.305 3.355 20 0 GGADHM Cc1cccc2c(CC(=O)OCCCOc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737409126 599058584 /nfs/dbraw/zinc/05/85/84/599058584.db2.gz QTXYAXNEMMKNAF-UHFFFAOYSA-N -1 3 391.431 3.211 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000737400255 599058789 /nfs/dbraw/zinc/05/87/89/599058789.db2.gz REYRQVZOROHOAL-UHFFFAOYSA-N -1 3 395.442 3.423 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000737400255 599058792 /nfs/dbraw/zinc/05/87/92/599058792.db2.gz REYRQVZOROHOAL-UHFFFAOYSA-N -1 3 395.442 3.423 20 0 GGADHM Cc1ccc2cccc(C(=O)OCc3cn4ccccc4c3-c3nnn[n-]3)c2n1 ZINC000737375845 599058832 /nfs/dbraw/zinc/05/88/32/599058832.db2.gz XYOGQNSWYKBXPG-UHFFFAOYSA-N -1 3 384.399 3.333 20 0 GGADHM Cc1ccc2cccc(C(=O)OCc3cn4ccccc4c3-c3nn[n-]n3)c2n1 ZINC000737375845 599058835 /nfs/dbraw/zinc/05/88/35/599058835.db2.gz XYOGQNSWYKBXPG-UHFFFAOYSA-N -1 3 384.399 3.333 20 0 GGADHM COc1cc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c2ccccc2n1 ZINC000821717181 599062270 /nfs/dbraw/zinc/06/22/70/599062270.db2.gz JUFZIBFCKIDSDW-UHFFFAOYSA-N -1 3 383.415 3.006 20 0 GGADHM COc1cc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c2ccccc2n1 ZINC000821717181 599062273 /nfs/dbraw/zinc/06/22/73/599062273.db2.gz JUFZIBFCKIDSDW-UHFFFAOYSA-N -1 3 383.415 3.006 20 0 GGADHM CSc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737193063 599063348 /nfs/dbraw/zinc/06/33/48/599063348.db2.gz VZEKDVMBJLHGGX-UHFFFAOYSA-N -1 3 375.454 3.459 20 0 GGADHM CSc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737193063 599063350 /nfs/dbraw/zinc/06/33/50/599063350.db2.gz VZEKDVMBJLHGGX-UHFFFAOYSA-N -1 3 375.454 3.459 20 0 GGADHM C[C@@H](CNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736190644 599065168 /nfs/dbraw/zinc/06/51/68/599065168.db2.gz GEZGWBVOLBLIPW-QWHCGFSZSA-N -1 3 385.468 3.406 20 0 GGADHM C[C@@H](CNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736190644 599065171 /nfs/dbraw/zinc/06/51/71/599065171.db2.gz GEZGWBVOLBLIPW-QWHCGFSZSA-N -1 3 385.468 3.406 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)c1-c1nnn[n-]1 ZINC000736670415 599072371 /nfs/dbraw/zinc/07/23/71/599072371.db2.gz PCGHVDUMTAQWCE-XOBRGWDASA-N -1 3 395.488 3.478 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)c1-c1nn[n-]n1 ZINC000736670415 599072373 /nfs/dbraw/zinc/07/23/73/599072373.db2.gz PCGHVDUMTAQWCE-XOBRGWDASA-N -1 3 395.488 3.478 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)c2c(F)cc(-c3nnn[n-]3)cc2F)cs1 ZINC000821346750 599072503 /nfs/dbraw/zinc/07/25/03/599072503.db2.gz PFDJOXNYMYLMNU-VIFPVBQESA-N -1 3 380.424 3.335 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)c2c(F)cc(-c3nn[n-]n3)cc2F)cs1 ZINC000821346750 599072509 /nfs/dbraw/zinc/07/25/09/599072509.db2.gz PFDJOXNYMYLMNU-VIFPVBQESA-N -1 3 380.424 3.335 20 0 GGADHM O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737781494 599075395 /nfs/dbraw/zinc/07/53/95/599075395.db2.gz BCYHYMZIAHTIRW-VQTJNVASSA-N -1 3 395.507 3.453 20 0 GGADHM O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737781494 599075398 /nfs/dbraw/zinc/07/53/98/599075398.db2.gz BCYHYMZIAHTIRW-VQTJNVASSA-N -1 3 395.507 3.453 20 0 GGADHM O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737781498 599075750 /nfs/dbraw/zinc/07/57/50/599075750.db2.gz BCYHYMZIAHTIRW-WOJBJXKFSA-N -1 3 395.507 3.453 20 0 GGADHM O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737781498 599075757 /nfs/dbraw/zinc/07/57/57/599075757.db2.gz BCYHYMZIAHTIRW-WOJBJXKFSA-N -1 3 395.507 3.453 20 0 GGADHM Cc1nc(SCC(=O)N2C[C@@H](C)CCC[C@@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000737485089 599087890 /nfs/dbraw/zinc/08/78/90/599087890.db2.gz ZLMKVQCYJNFZIF-RYUDHWBXSA-N -1 3 388.541 3.316 20 0 GGADHM Cc1nc(SCC(=O)N2C[C@@H](C)CCC[C@@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000737485089 599087893 /nfs/dbraw/zinc/08/78/93/599087893.db2.gz ZLMKVQCYJNFZIF-RYUDHWBXSA-N -1 3 388.541 3.316 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736235356 599090271 /nfs/dbraw/zinc/09/02/71/599090271.db2.gz NQAQWQXIKAYBAA-VCBZYWHSSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736235356 599090274 /nfs/dbraw/zinc/09/02/74/599090274.db2.gz NQAQWQXIKAYBAA-VCBZYWHSSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000736166802 599090666 /nfs/dbraw/zinc/09/06/66/599090666.db2.gz BZXXJLOBPINXAA-OLPIVMHESA-N -1 3 391.475 3.427 20 0 GGADHM Cn1ccnc1C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000822698858 599091661 /nfs/dbraw/zinc/09/16/61/599091661.db2.gz IKRBCOHRZDIIKE-HNNXBMFYSA-N -1 3 380.843 3.045 20 0 GGADHM Cn1ccnc1C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000822698858 599091663 /nfs/dbraw/zinc/09/16/63/599091663.db2.gz IKRBCOHRZDIIKE-HNNXBMFYSA-N -1 3 380.843 3.045 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCCC(C)(C)CC1 ZINC000737032235 599094102 /nfs/dbraw/zinc/09/41/02/599094102.db2.gz GFOXRDGPDGVFOP-UHFFFAOYSA-N -1 3 387.484 3.073 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCCC(C)(C)CC1 ZINC000737032235 599094105 /nfs/dbraw/zinc/09/41/05/599094105.db2.gz GFOXRDGPDGVFOP-UHFFFAOYSA-N -1 3 387.484 3.073 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCCN(c2ccccc2)C1=O ZINC000735904830 599099069 /nfs/dbraw/zinc/09/90/69/599099069.db2.gz CZQKGFOMBUTCKH-KRWDZBQOSA-N -1 3 392.463 3.261 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCCN(c2ccccc2)C1=O ZINC000735904830 599099072 /nfs/dbraw/zinc/09/90/72/599099072.db2.gz CZQKGFOMBUTCKH-KRWDZBQOSA-N -1 3 392.463 3.261 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000738152446 599102486 /nfs/dbraw/zinc/10/24/86/599102486.db2.gz TZUUDOMAMRAPKK-SFHVURJKSA-N -1 3 378.436 3.156 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000738152446 599102489 /nfs/dbraw/zinc/10/24/89/599102489.db2.gz TZUUDOMAMRAPKK-SFHVURJKSA-N -1 3 378.436 3.156 20 0 GGADHM FC(F)(F)c1csc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822728959 599105630 /nfs/dbraw/zinc/10/56/30/599105630.db2.gz OPPJEGFQCTXYST-UHFFFAOYSA-N -1 3 375.767 3.045 20 0 GGADHM FC(F)(F)c1csc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822728959 599105631 /nfs/dbraw/zinc/10/56/31/599105631.db2.gz OPPJEGFQCTXYST-UHFFFAOYSA-N -1 3 375.767 3.045 20 0 GGADHM CC(C)(C)Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000735617885 599106060 /nfs/dbraw/zinc/10/60/60/599106060.db2.gz DZXJTOVBWIRLKM-UHFFFAOYSA-N -1 3 397.483 3.366 20 0 GGADHM CC(C)(C)Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000735617885 599106063 /nfs/dbraw/zinc/10/60/63/599106063.db2.gz DZXJTOVBWIRLKM-UHFFFAOYSA-N -1 3 397.483 3.366 20 0 GGADHM CCN(CC1CCN(c2ccccn2)CC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821206385 599107586 /nfs/dbraw/zinc/10/75/86/599107586.db2.gz AWDCIDZKDRXLCK-UHFFFAOYSA-N -1 3 398.902 3.053 20 0 GGADHM CCN(CC1CCN(c2ccccn2)CC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821206385 599107589 /nfs/dbraw/zinc/10/75/89/599107589.db2.gz AWDCIDZKDRXLCK-UHFFFAOYSA-N -1 3 398.902 3.053 20 0 GGADHM COCCN(C(=O)CCCOc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989357 599113803 /nfs/dbraw/zinc/11/38/03/599113803.db2.gz TWOSBYCZXCIXJX-UHFFFAOYSA-N -1 3 395.463 3.014 20 0 GGADHM COCCN(C(=O)CCCOc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989357 599113805 /nfs/dbraw/zinc/11/38/05/599113805.db2.gz TWOSBYCZXCIXJX-UHFFFAOYSA-N -1 3 395.463 3.014 20 0 GGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000468261847 599117293 /nfs/dbraw/zinc/11/72/93/599117293.db2.gz WWCDWFFDZCBNCW-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000468261847 599117297 /nfs/dbraw/zinc/11/72/97/599117297.db2.gz WWCDWFFDZCBNCW-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM O=c1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c2ccccc2[nH]1 ZINC000738381129 599120438 /nfs/dbraw/zinc/12/04/38/599120438.db2.gz VCPFYHCHXOCIAC-UHFFFAOYSA-N -1 3 387.325 3.146 20 0 GGADHM O=c1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c2ccccc2[nH]1 ZINC000738381129 599120440 /nfs/dbraw/zinc/12/04/40/599120440.db2.gz VCPFYHCHXOCIAC-UHFFFAOYSA-N -1 3 387.325 3.146 20 0 GGADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2nnc(-c3cccs3)o2)n1 ZINC000822427188 599125196 /nfs/dbraw/zinc/12/51/96/599125196.db2.gz DWSNOKZDJGIZAJ-MRVPVSSYSA-N -1 3 386.466 3.238 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000463300433 599132006 /nfs/dbraw/zinc/13/20/06/599132006.db2.gz MMMIWCPWZGHHQN-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000463300433 599132009 /nfs/dbraw/zinc/13/20/09/599132009.db2.gz MMMIWCPWZGHHQN-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM CCCCNC(=O)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821066663 599132631 /nfs/dbraw/zinc/13/26/31/599132631.db2.gz VUWUSAWTLBDBLC-UHFFFAOYSA-N -1 3 384.415 3.126 20 0 GGADHM CCCCNC(=O)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821066663 599132633 /nfs/dbraw/zinc/13/26/33/599132633.db2.gz VUWUSAWTLBDBLC-UHFFFAOYSA-N -1 3 384.415 3.126 20 0 GGADHM CC(C)n1ccc(CC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000820215555 599134668 /nfs/dbraw/zinc/13/46/68/599134668.db2.gz WYJOQCKQRFMEBI-UHFFFAOYSA-N -1 3 388.431 3.459 20 0 GGADHM CC(C)n1ccc(CC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000820215555 599134669 /nfs/dbraw/zinc/13/46/69/599134669.db2.gz WYJOQCKQRFMEBI-UHFFFAOYSA-N -1 3 388.431 3.459 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000821347163 599137273 /nfs/dbraw/zinc/13/72/73/599137273.db2.gz SFLDEPYKSKHQOC-LBPRGKRZSA-N -1 3 398.492 3.226 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000821347163 599137275 /nfs/dbraw/zinc/13/72/75/599137275.db2.gz SFLDEPYKSKHQOC-LBPRGKRZSA-N -1 3 398.492 3.226 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)cc12 ZINC000820206254 599139274 /nfs/dbraw/zinc/13/92/74/599139274.db2.gz GWWANVRBPGPAHJ-UHFFFAOYSA-N -1 3 395.492 3.211 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)cc12 ZINC000820206254 599139276 /nfs/dbraw/zinc/13/92/76/599139276.db2.gz GWWANVRBPGPAHJ-UHFFFAOYSA-N -1 3 395.492 3.211 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463786052 599139464 /nfs/dbraw/zinc/13/94/64/599139464.db2.gz YIBRFZQCKBJOJE-UHFFFAOYSA-N -1 3 388.406 3.361 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463786052 599139466 /nfs/dbraw/zinc/13/94/66/599139466.db2.gz YIBRFZQCKBJOJE-UHFFFAOYSA-N -1 3 388.406 3.361 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225466 599139537 /nfs/dbraw/zinc/13/95/37/599139537.db2.gz JLPGBFFKPHRYGQ-QWHCGFSZSA-N -1 3 381.411 3.092 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225466 599139539 /nfs/dbraw/zinc/13/95/39/599139539.db2.gz JLPGBFFKPHRYGQ-QWHCGFSZSA-N -1 3 381.411 3.092 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(-c2cscn2)c1 ZINC000821609784 599140037 /nfs/dbraw/zinc/14/00/37/599140037.db2.gz LREUQUSTAFALQC-UHFFFAOYSA-N -1 3 376.445 3.262 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(-c2cscn2)c1 ZINC000821609784 599140039 /nfs/dbraw/zinc/14/00/39/599140039.db2.gz LREUQUSTAFALQC-UHFFFAOYSA-N -1 3 376.445 3.262 20 0 GGADHM O=C(CCC(F)(F)F)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822950078 599142763 /nfs/dbraw/zinc/14/27/63/599142763.db2.gz DFRSMLPEUJBLEI-UHFFFAOYSA-N -1 3 378.314 3.335 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000737064225 599145098 /nfs/dbraw/zinc/14/50/98/599145098.db2.gz WMXPKSSHDKXBJM-AWEZNQCLSA-N -1 3 392.341 3.300 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000737064225 599145101 /nfs/dbraw/zinc/14/51/01/599145101.db2.gz WMXPKSSHDKXBJM-AWEZNQCLSA-N -1 3 392.341 3.300 20 0 GGADHM CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736747709 599147534 /nfs/dbraw/zinc/14/75/34/599147534.db2.gz HQZVYZLDCYICNX-MRXNPFEDSA-N -1 3 395.442 3.139 20 0 GGADHM CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736747709 599147536 /nfs/dbraw/zinc/14/75/36/599147536.db2.gz HQZVYZLDCYICNX-MRXNPFEDSA-N -1 3 395.442 3.139 20 0 GGADHM CCCCC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)(C)C ZINC000736440961 599149764 /nfs/dbraw/zinc/14/97/64/599149764.db2.gz KCVGXXNKMSDZEP-INIZCTEOSA-N -1 3 386.500 3.225 20 0 GGADHM CCCCC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)(C)C ZINC000736440961 599149767 /nfs/dbraw/zinc/14/97/67/599149767.db2.gz KCVGXXNKMSDZEP-INIZCTEOSA-N -1 3 386.500 3.225 20 0 GGADHM O=C(c1cccc2cc[nH]c21)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823493949 599152831 /nfs/dbraw/zinc/15/28/31/599152831.db2.gz XDFAHWDCZQBDRX-UHFFFAOYSA-N -1 3 388.431 3.032 20 0 GGADHM O=C(c1cccc2cc[nH]c21)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823493949 599152833 /nfs/dbraw/zinc/15/28/33/599152833.db2.gz XDFAHWDCZQBDRX-UHFFFAOYSA-N -1 3 388.431 3.032 20 0 GGADHM CCOC(=O)c1ccc2c(c1)nc(-c1ccc(OC)c(-c3nnn[n-]3)c1)n2CC ZINC000821343864 599153690 /nfs/dbraw/zinc/15/36/90/599153690.db2.gz WXAFVNCXOZOPGT-UHFFFAOYSA-N -1 3 392.419 3.089 20 0 GGADHM CCOC(=O)c1ccc2c(c1)nc(-c1ccc(OC)c(-c3nn[n-]n3)c1)n2CC ZINC000821343864 599153693 /nfs/dbraw/zinc/15/36/93/599153693.db2.gz WXAFVNCXOZOPGT-UHFFFAOYSA-N -1 3 392.419 3.089 20 0 GGADHM Cc1ccc(N2CC[C@@H](Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)C2=O)cc1 ZINC000822241389 599155973 /nfs/dbraw/zinc/15/59/73/599155973.db2.gz UOHAQDDMKBRGRX-QGZVFWFLSA-N -1 3 392.463 3.180 20 0 GGADHM Cc1ccc(N2CC[C@@H](Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)C2=O)cc1 ZINC000822241389 599155974 /nfs/dbraw/zinc/15/59/74/599155974.db2.gz UOHAQDDMKBRGRX-QGZVFWFLSA-N -1 3 392.463 3.180 20 0 GGADHM Brc1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000735374538 599156642 /nfs/dbraw/zinc/15/66/42/599156642.db2.gz DNXIVLRBJBJBKG-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM Brc1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000735374538 599156644 /nfs/dbraw/zinc/15/66/44/599156644.db2.gz DNXIVLRBJBJBKG-UHFFFAOYSA-N -1 3 399.208 3.258 20 0 GGADHM COC(=O)c1cccc(-c2nc(COc3ccccc3-c3nnn[n-]3)cs2)c1 ZINC000736948276 599159641 /nfs/dbraw/zinc/15/96/41/599159641.db2.gz MTQKQMZCCDXLAD-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COC(=O)c1cccc(-c2nc(COc3ccccc3-c3nn[n-]n3)cs2)c1 ZINC000736948276 599159643 /nfs/dbraw/zinc/15/96/43/599159643.db2.gz MTQKQMZCCDXLAD-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM C[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735975434 599162231 /nfs/dbraw/zinc/16/22/31/599162231.db2.gz GOPGQFQQACUKKH-ZDUSSCGKSA-N -1 3 391.410 3.324 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Oc2nccs2)c1 ZINC000823242172 599165379 /nfs/dbraw/zinc/16/53/79/599165379.db2.gz QSHDRXXRNXSVBV-UHFFFAOYSA-N -1 3 396.407 3.185 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Oc2nccs2)c1 ZINC000823242172 599165381 /nfs/dbraw/zinc/16/53/81/599165381.db2.gz QSHDRXXRNXSVBV-UHFFFAOYSA-N -1 3 396.407 3.185 20 0 GGADHM CC(=O)c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000735498842 599165718 /nfs/dbraw/zinc/16/57/18/599165718.db2.gz KURATGLPQSRYGI-UHFFFAOYSA-N -1 3 376.376 3.007 20 0 GGADHM CC(=O)c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000735498842 599165720 /nfs/dbraw/zinc/16/57/20/599165720.db2.gz KURATGLPQSRYGI-UHFFFAOYSA-N -1 3 376.376 3.007 20 0 GGADHM Cc1ccc([C@@H]2CSCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332125 599167180 /nfs/dbraw/zinc/16/71/80/599167180.db2.gz OFOKXZGTWNHLNS-SFHVURJKSA-N -1 3 379.489 3.034 20 0 GGADHM Cc1ccc([C@@H]2CSCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332125 599167182 /nfs/dbraw/zinc/16/71/82/599167182.db2.gz OFOKXZGTWNHLNS-SFHVURJKSA-N -1 3 379.489 3.034 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822463970 599168933 /nfs/dbraw/zinc/16/89/33/599168933.db2.gz XOEOMXJLYXJZDG-UHFFFAOYSA-N -1 3 390.422 3.030 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822463970 599168934 /nfs/dbraw/zinc/16/89/34/599168934.db2.gz XOEOMXJLYXJZDG-UHFFFAOYSA-N -1 3 390.422 3.030 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)N[C@H](c1ccccc1)C1CC1 ZINC000737948198 599171699 /nfs/dbraw/zinc/17/16/99/599171699.db2.gz QFZCOMSMQBCEPE-GOSISDBHSA-N -1 3 383.452 3.365 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)N[C@H](c1ccccc1)C1CC1 ZINC000737948198 599171701 /nfs/dbraw/zinc/17/17/01/599171701.db2.gz QFZCOMSMQBCEPE-GOSISDBHSA-N -1 3 383.452 3.365 20 0 GGADHM Fc1cc(Br)ccc1CCCNc1ncccc1-c1nnn[n-]1 ZINC000737645083 599173849 /nfs/dbraw/zinc/17/38/49/599173849.db2.gz QPDAKZNERASANY-UHFFFAOYSA-N -1 3 377.221 3.208 20 0 GGADHM Fc1cc(Br)ccc1CCCNc1ncccc1-c1nn[n-]n1 ZINC000737645083 599173852 /nfs/dbraw/zinc/17/38/52/599173852.db2.gz QPDAKZNERASANY-UHFFFAOYSA-N -1 3 377.221 3.208 20 0 GGADHM Cc1ccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000737328662 599174815 /nfs/dbraw/zinc/17/48/15/599174815.db2.gz CCSBOLBSXRERLO-OAHLLOKOSA-N -1 3 386.843 3.197 20 0 GGADHM Cc1ccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000737328662 599174817 /nfs/dbraw/zinc/17/48/17/599174817.db2.gz CCSBOLBSXRERLO-OAHLLOKOSA-N -1 3 386.843 3.197 20 0 GGADHM Cc1sc(NC(=O)c2ccc(OC3CCOCC3)cc2)c(-c2nnn[n-]2)c1C ZINC000737561795 599178430 /nfs/dbraw/zinc/17/84/30/599178430.db2.gz IKESTCDMDGJGHR-UHFFFAOYSA-N -1 3 399.476 3.355 20 0 GGADHM Cc1sc(NC(=O)c2ccc(OC3CCOCC3)cc2)c(-c2nn[n-]n2)c1C ZINC000737561795 599178431 /nfs/dbraw/zinc/17/84/31/599178431.db2.gz IKESTCDMDGJGHR-UHFFFAOYSA-N -1 3 399.476 3.355 20 0 GGADHM O=C(CN1CCCC[C@@H]1c1ccco1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737878903 599175983 /nfs/dbraw/zinc/17/59/83/599175983.db2.gz RBACYSJHNFRIPH-OAHLLOKOSA-N -1 3 386.843 3.279 20 0 GGADHM O=C(CN1CCCC[C@@H]1c1ccco1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737878903 599175984 /nfs/dbraw/zinc/17/59/84/599175984.db2.gz RBACYSJHNFRIPH-OAHLLOKOSA-N -1 3 386.843 3.279 20 0 GGADHM Cc1ccc(N2CCC[C@@H](NC(=S)Nc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000737351746 599176200 /nfs/dbraw/zinc/17/62/00/599176200.db2.gz NPGMOSJOHQIGQJ-OAHLLOKOSA-N -1 3 393.520 3.131 20 0 GGADHM Cc1ccc(N2CCC[C@@H](NC(=S)Nc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000737351746 599176202 /nfs/dbraw/zinc/17/62/02/599176202.db2.gz NPGMOSJOHQIGQJ-OAHLLOKOSA-N -1 3 393.520 3.131 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccco1 ZINC000442947104 599177843 /nfs/dbraw/zinc/17/78/43/599177843.db2.gz CWMWDJSMEDLKTL-AWEZNQCLSA-N -1 3 393.856 3.029 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccco1 ZINC000442947104 599177846 /nfs/dbraw/zinc/17/78/46/599177846.db2.gz CWMWDJSMEDLKTL-AWEZNQCLSA-N -1 3 393.856 3.029 20 0 GGADHM Cc1ncc(Cl)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)n1 ZINC000737491010 599177990 /nfs/dbraw/zinc/17/79/90/599177990.db2.gz DYUKPQBEVFMQIG-SSDOTTSWSA-N -1 3 389.872 3.057 20 0 GGADHM Cc1ncc(Cl)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)n1 ZINC000737491010 599177992 /nfs/dbraw/zinc/17/79/92/599177992.db2.gz DYUKPQBEVFMQIG-SSDOTTSWSA-N -1 3 389.872 3.057 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821850190 599178969 /nfs/dbraw/zinc/17/89/69/599178969.db2.gz YJUNBXOQWXIGQP-CQSZACIVSA-N -1 3 395.438 3.141 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821850190 599178971 /nfs/dbraw/zinc/17/89/71/599178971.db2.gz YJUNBXOQWXIGQP-CQSZACIVSA-N -1 3 395.438 3.141 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(OC)cc1C ZINC000736628590 599179242 /nfs/dbraw/zinc/17/92/42/599179242.db2.gz QNXHGXIXKCNMPA-UHFFFAOYSA-N -1 3 388.811 3.455 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(OC)cc1C ZINC000736628590 599179243 /nfs/dbraw/zinc/17/92/43/599179243.db2.gz QNXHGXIXKCNMPA-UHFFFAOYSA-N -1 3 388.811 3.455 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C(C)(C)C)on1 ZINC000737026473 599180406 /nfs/dbraw/zinc/18/04/06/599180406.db2.gz UFKVHQHGCKQZDW-UHFFFAOYSA-N -1 3 377.788 3.033 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C(C)(C)C)on1 ZINC000737026473 599180408 /nfs/dbraw/zinc/18/04/08/599180408.db2.gz UFKVHQHGCKQZDW-UHFFFAOYSA-N -1 3 377.788 3.033 20 0 GGADHM O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823082834 599181560 /nfs/dbraw/zinc/18/15/60/599181560.db2.gz SFAOQLPGAHNERS-UHFFFAOYSA-N -1 3 380.210 3.172 20 0 GGADHM O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823082834 599181561 /nfs/dbraw/zinc/18/15/61/599181561.db2.gz SFAOQLPGAHNERS-UHFFFAOYSA-N -1 3 380.210 3.172 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000823241812 599185011 /nfs/dbraw/zinc/18/50/11/599185011.db2.gz GUUZZMJOFJYHAF-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000823241812 599185013 /nfs/dbraw/zinc/18/50/13/599185013.db2.gz GUUZZMJOFJYHAF-UHFFFAOYSA-N -1 3 390.378 3.123 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821890716 599188761 /nfs/dbraw/zinc/18/87/61/599188761.db2.gz OQMHVSNDNUEBGL-CQSZACIVSA-N -1 3 397.504 3.057 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821890716 599188762 /nfs/dbraw/zinc/18/87/62/599188762.db2.gz OQMHVSNDNUEBGL-CQSZACIVSA-N -1 3 397.504 3.057 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738235934 599186297 /nfs/dbraw/zinc/18/62/97/599186297.db2.gz YSYHXRWXRSEAQH-OLZOCXBDSA-N -1 3 395.369 3.245 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738235934 599186299 /nfs/dbraw/zinc/18/62/99/599186299.db2.gz YSYHXRWXRSEAQH-OLZOCXBDSA-N -1 3 395.369 3.245 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(OCC=C(C)C)c1 ZINC000737063313 599187070 /nfs/dbraw/zinc/18/70/70/599187070.db2.gz VXHQXPXYTIXXQQ-UHFFFAOYSA-N -1 3 379.420 3.473 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OCC=C(C)C)c1 ZINC000737063313 599187071 /nfs/dbraw/zinc/18/70/71/599187071.db2.gz VXHQXPXYTIXXQQ-UHFFFAOYSA-N -1 3 379.420 3.473 20 0 GGADHM O=C(N[C@@H]1CCSC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823161329 599190753 /nfs/dbraw/zinc/19/07/53/599190753.db2.gz MNWDHYCTOZNSTE-OAHLLOKOSA-N -1 3 397.529 3.394 20 0 GGADHM O=C(N[C@@H]1CCSC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823161329 599190755 /nfs/dbraw/zinc/19/07/55/599190755.db2.gz MNWDHYCTOZNSTE-OAHLLOKOSA-N -1 3 397.529 3.394 20 0 GGADHM Cn1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)cn1 ZINC000737612369 599195343 /nfs/dbraw/zinc/19/53/43/599195343.db2.gz YMQBWRGFACJAJW-UHFFFAOYSA-N -1 3 395.810 3.298 20 0 GGADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1CCCOCC1 ZINC000738277815 599196129 /nfs/dbraw/zinc/19/61/29/599196129.db2.gz GBWNWUVRAPFKFU-UHFFFAOYSA-N -1 3 399.838 3.175 20 0 GGADHM CC(C)c1ccc(CCCNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922314 599196572 /nfs/dbraw/zinc/19/65/72/599196572.db2.gz FTSYZSRLPJWKDZ-UHFFFAOYSA-N -1 3 379.464 3.118 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c2cccnc2c1C ZINC000822207294 599197949 /nfs/dbraw/zinc/19/79/49/599197949.db2.gz QRQJSSYIGMJRPY-CQSZACIVSA-N -1 3 388.431 3.438 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c2cccnc2c1C ZINC000822207294 599197951 /nfs/dbraw/zinc/19/79/51/599197951.db2.gz QRQJSSYIGMJRPY-CQSZACIVSA-N -1 3 388.431 3.438 20 0 GGADHM CC[C@@]1(C)CCCN(C(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000820949927 599201036 /nfs/dbraw/zinc/20/10/36/599201036.db2.gz HSXVTWCNBRHYGX-FQEVSTJZSA-N -1 3 387.484 3.073 20 0 GGADHM CC[C@@]1(C)CCCN(C(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000820949927 599201038 /nfs/dbraw/zinc/20/10/38/599201038.db2.gz HSXVTWCNBRHYGX-FQEVSTJZSA-N -1 3 387.484 3.073 20 0 GGADHM C[C@H]1CCN(C)c2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736275101 599201181 /nfs/dbraw/zinc/20/11/81/599201181.db2.gz GUZXTULVBFOGHG-AWEZNQCLSA-N -1 3 394.504 3.220 20 0 GGADHM C[C@H]1CCN(C)c2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736275101 599201183 /nfs/dbraw/zinc/20/11/83/599201183.db2.gz GUZXTULVBFOGHG-AWEZNQCLSA-N -1 3 394.504 3.220 20 0 GGADHM CC[C@H](Cc1ccccc1)C(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736351829 599201383 /nfs/dbraw/zinc/20/13/83/599201383.db2.gz HROFCTSFYLRVPJ-QGZVFWFLSA-N -1 3 379.464 3.115 20 0 GGADHM CC[C@H](Cc1ccccc1)C(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736351829 599201384 /nfs/dbraw/zinc/20/13/84/599201384.db2.gz HROFCTSFYLRVPJ-QGZVFWFLSA-N -1 3 379.464 3.115 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000820735571 599204311 /nfs/dbraw/zinc/20/43/11/599204311.db2.gz TWFSMDWVSIQQRW-NEPJUHHUSA-N -1 3 399.838 3.102 20 0 GGADHM COCCN(C(=O)C[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988433 599203598 /nfs/dbraw/zinc/20/35/98/599203598.db2.gz LUBCSGBOAWKFHQ-SFHVURJKSA-N -1 3 391.475 3.356 20 0 GGADHM COCCN(C(=O)C[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988433 599203599 /nfs/dbraw/zinc/20/35/99/599203599.db2.gz LUBCSGBOAWKFHQ-SFHVURJKSA-N -1 3 391.475 3.356 20 0 GGADHM COc1cc(Cn2cnc(C)c2C)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737047901 599208616 /nfs/dbraw/zinc/20/86/16/599208616.db2.gz UHTLDTWZIKFACL-UHFFFAOYSA-N -1 3 390.447 3.316 20 0 GGADHM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000736123898 599208615 /nfs/dbraw/zinc/20/86/15/599208615.db2.gz RWVFBKIRVLKSRH-ZIAGYGMSSA-N -1 3 395.488 3.173 20 0 GGADHM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000736123898 599208617 /nfs/dbraw/zinc/20/86/17/599208617.db2.gz RWVFBKIRVLKSRH-ZIAGYGMSSA-N -1 3 395.488 3.173 20 0 GGADHM CCC(CC)c1cc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000736348527 599209694 /nfs/dbraw/zinc/20/96/94/599209694.db2.gz BUEBNJRYXOPBJA-UHFFFAOYSA-N -1 3 386.481 3.167 20 0 GGADHM CCC(CC)c1cc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000736348527 599209695 /nfs/dbraw/zinc/20/96/95/599209695.db2.gz BUEBNJRYXOPBJA-UHFFFAOYSA-N -1 3 386.481 3.167 20 0 GGADHM CC(C)n1ccc(CSCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000735964904 599211819 /nfs/dbraw/zinc/21/18/19/599211819.db2.gz FVENRIJYVXKBJM-UHFFFAOYSA-N -1 3 391.888 3.169 20 0 GGADHM CC(C)n1ccc(CSCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000735964904 599211822 /nfs/dbraw/zinc/21/18/22/599211822.db2.gz FVENRIJYVXKBJM-UHFFFAOYSA-N -1 3 391.888 3.169 20 0 GGADHM CC(C)c1ccc(CCCNC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735923560 599212114 /nfs/dbraw/zinc/21/21/14/599212114.db2.gz MOSDJTZYHZECEE-UHFFFAOYSA-N -1 3 378.480 3.422 20 0 GGADHM CC(C)c1ccc(CCCNC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735923560 599212115 /nfs/dbraw/zinc/21/21/15/599212115.db2.gz MOSDJTZYHZECEE-UHFFFAOYSA-N -1 3 378.480 3.422 20 0 GGADHM CSc1ccc(Cl)c(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737190498 599212251 /nfs/dbraw/zinc/21/22/51/599212251.db2.gz MUHKFRWFTPTYKE-UHFFFAOYSA-N -1 3 389.868 3.051 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000738089689 599213033 /nfs/dbraw/zinc/21/30/33/599213033.db2.gz PLJWJAUXMMYQCR-UHFFFAOYSA-N -1 3 396.209 3.121 20 0 GGADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922027 599214046 /nfs/dbraw/zinc/21/40/46/599214046.db2.gz ADRPSFDQIULKTA-PMACEKPBSA-N -1 3 391.475 3.289 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1sccc1SC(F)F ZINC000738087832 599214661 /nfs/dbraw/zinc/21/46/61/599214661.db2.gz CYZYFUCVSSGBHE-UHFFFAOYSA-N -1 3 397.432 3.052 20 0 GGADHM COc1cc(COC(=O)[C@H]2C[C@@H]2C)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737048183 599215455 /nfs/dbraw/zinc/21/54/55/599215455.db2.gz XJTXNFKBGCDQAI-GUYCJALGSA-N -1 3 394.431 3.154 20 0 GGADHM COc1cc(COC(=O)[C@H]2C[C@@H]2C)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737048183 599215458 /nfs/dbraw/zinc/21/54/58/599215458.db2.gz XJTXNFKBGCDQAI-GUYCJALGSA-N -1 3 394.431 3.154 20 0 GGADHM C[C@@H](COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736038253 599215624 /nfs/dbraw/zinc/21/56/24/599215624.db2.gz SUFGGJPUIMFRLC-HNAYVOBHSA-N -1 3 377.448 3.182 20 0 GGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820528705 599216244 /nfs/dbraw/zinc/21/62/44/599216244.db2.gz NMYDZJFKKYHWEK-IFXJQAMLSA-N -1 3 397.454 3.157 20 0 GGADHM Cc1cc(F)cc2[nH]c(C(=O)OCCOc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737265197 599216969 /nfs/dbraw/zinc/21/69/69/599216969.db2.gz YQBXHEZSXNLSOB-UHFFFAOYSA-N -1 3 381.367 3.031 20 0 GGADHM O=C(CCCCCc1cccs1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737824596 599218057 /nfs/dbraw/zinc/21/80/57/599218057.db2.gz GVNSXWKXFSMBTJ-UHFFFAOYSA-N -1 3 385.493 3.226 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccc[nH]c1=O ZINC000823355533 599219449 /nfs/dbraw/zinc/21/94/49/599219449.db2.gz DPWBJMSJHXXHBV-UHFFFAOYSA-N -1 3 392.350 3.151 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccc[nH]c1=O ZINC000823355533 599219451 /nfs/dbraw/zinc/21/94/51/599219451.db2.gz DPWBJMSJHXXHBV-UHFFFAOYSA-N -1 3 392.350 3.151 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000738089667 599220056 /nfs/dbraw/zinc/22/00/56/599220056.db2.gz PIQCZUKWOSJJKS-LEWJYISDSA-N -1 3 399.454 3.319 20 0 GGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233695 599221933 /nfs/dbraw/zinc/22/19/33/599221933.db2.gz SXKIBZMFQJPGCK-GUYCJALGSA-N -1 3 381.436 3.147 20 0 GGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233695 599221935 /nfs/dbraw/zinc/22/19/35/599221935.db2.gz SXKIBZMFQJPGCK-GUYCJALGSA-N -1 3 381.436 3.147 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCC2(C1)CCCCC2 ZINC000737031750 599222953 /nfs/dbraw/zinc/22/29/53/599222953.db2.gz CXVFXNJRXAVNDE-UHFFFAOYSA-N -1 3 399.495 3.217 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCC2(C1)CCCCC2 ZINC000737031750 599222954 /nfs/dbraw/zinc/22/29/54/599222954.db2.gz CXVFXNJRXAVNDE-UHFFFAOYSA-N -1 3 399.495 3.217 20 0 GGADHM CCOc1ccccc1OCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821436650 599223008 /nfs/dbraw/zinc/22/30/08/599223008.db2.gz DOVPMWIDZUYWEF-UHFFFAOYSA-N -1 3 386.477 3.456 20 0 GGADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC2(C1)CCCCC2 ZINC000737793234 599223651 /nfs/dbraw/zinc/22/36/51/599223651.db2.gz WUPYKROKNWHBRQ-SFHVURJKSA-N -1 3 380.496 3.018 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(Br)cc1 ZINC000737800051 599225321 /nfs/dbraw/zinc/22/53/21/599225321.db2.gz KEFJYBQXWAELBH-JXMROGBWSA-N -1 3 398.264 3.001 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccc(Br)cc1 ZINC000737800051 599225322 /nfs/dbraw/zinc/22/53/22/599225322.db2.gz KEFJYBQXWAELBH-JXMROGBWSA-N -1 3 398.264 3.001 20 0 GGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(-n2ccnc2)c1 ZINC000820404192 599230069 /nfs/dbraw/zinc/23/00/69/599230069.db2.gz QUNGQVPHQQVYHX-CYBMUJFWSA-N -1 3 390.476 3.100 20 0 GGADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(-n2ccnc2)c1 ZINC000820404192 599230071 /nfs/dbraw/zinc/23/00/71/599230071.db2.gz QUNGQVPHQQVYHX-CYBMUJFWSA-N -1 3 390.476 3.100 20 0 GGADHM CC(C)[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820047201 599230350 /nfs/dbraw/zinc/23/03/50/599230350.db2.gz WHOSREAUEOLRAI-CYBMUJFWSA-N -1 3 382.946 3.290 20 0 GGADHM CC(C)[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820047201 599230353 /nfs/dbraw/zinc/23/03/53/599230353.db2.gz WHOSREAUEOLRAI-CYBMUJFWSA-N -1 3 382.946 3.290 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000739113295 596939231 /nfs/dbraw/zinc/93/92/31/596939231.db2.gz UVWXYCNMXMMKBJ-MRXNPFEDSA-N -1 3 379.526 3.027 20 0 GGADHM CC1(C)CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CCCO1 ZINC000736213717 599230758 /nfs/dbraw/zinc/23/07/58/599230758.db2.gz NFZAPMVJZOMPPD-UHFFFAOYSA-N -1 3 390.394 3.022 20 0 GGADHM CC1(C)CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CCCO1 ZINC000736213717 599230759 /nfs/dbraw/zinc/23/07/59/599230759.db2.gz NFZAPMVJZOMPPD-UHFFFAOYSA-N -1 3 390.394 3.022 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)ccc21 ZINC000736188690 599230782 /nfs/dbraw/zinc/23/07/82/599230782.db2.gz OXXRVYFBRLCRMU-ZDUSSCGKSA-N -1 3 391.435 3.203 20 0 GGADHM CC(C)n1ncc2cc(NC(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)ccc21 ZINC000736188690 599230783 /nfs/dbraw/zinc/23/07/83/599230783.db2.gz OXXRVYFBRLCRMU-ZDUSSCGKSA-N -1 3 391.435 3.203 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000737271075 599231431 /nfs/dbraw/zinc/23/14/31/599231431.db2.gz RAOTZCQHQCTNJY-INIZCTEOSA-N -1 3 393.470 3.279 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000737271075 599231434 /nfs/dbraw/zinc/23/14/34/599231434.db2.gz RAOTZCQHQCTNJY-INIZCTEOSA-N -1 3 393.470 3.279 20 0 GGADHM COc1cccc(N2CCC[C@@H](Nc3c(F)cc(-c4nnn[n-]4)cc3F)C2)c1 ZINC000737137167 599231610 /nfs/dbraw/zinc/23/16/10/599231610.db2.gz BKJGFYYNVTWIMM-CYBMUJFWSA-N -1 3 386.406 3.234 20 0 GGADHM COc1cccc(N2CCC[C@@H](Nc3c(F)cc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737137167 599231611 /nfs/dbraw/zinc/23/16/11/599231611.db2.gz BKJGFYYNVTWIMM-CYBMUJFWSA-N -1 3 386.406 3.234 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1OC(F)F ZINC000737797046 599232059 /nfs/dbraw/zinc/23/20/59/599232059.db2.gz DAFGUILXBPTDIV-YVMONPNESA-N -1 3 375.310 3.259 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1OC(F)F ZINC000737797046 599232060 /nfs/dbraw/zinc/23/20/60/599232060.db2.gz DAFGUILXBPTDIV-YVMONPNESA-N -1 3 375.310 3.259 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736354096 599232598 /nfs/dbraw/zinc/23/25/98/599232598.db2.gz QPSGOOXLUWXIIE-QFBILLFUSA-N -1 3 393.491 3.422 20 0 GGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000736009125 599233059 /nfs/dbraw/zinc/23/30/59/599233059.db2.gz WIDYWGBEQCDGSG-OCHBPSSRSA-N -1 3 383.839 3.117 20 0 GGADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000736009125 599233063 /nfs/dbraw/zinc/23/30/63/599233063.db2.gz WIDYWGBEQCDGSG-OCHBPSSRSA-N -1 3 383.839 3.117 20 0 GGADHM Cc1ccc(CC[C@@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)o1 ZINC000737337867 599233624 /nfs/dbraw/zinc/23/36/24/599233624.db2.gz JJLBDSXOVMIVKB-KUHUBIRLSA-N -1 3 397.479 3.309 20 0 GGADHM Cc1ccc(CC[C@@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)o1 ZINC000737337867 599233627 /nfs/dbraw/zinc/23/36/27/599233627.db2.gz JJLBDSXOVMIVKB-KUHUBIRLSA-N -1 3 397.479 3.309 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737033503 599226819 /nfs/dbraw/zinc/22/68/19/599226819.db2.gz RBJDMKNUHRDCND-ZMSDIMECSA-N -1 3 399.495 3.119 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737033503 599226822 /nfs/dbraw/zinc/22/68/22/599226822.db2.gz RBJDMKNUHRDCND-ZMSDIMECSA-N -1 3 399.495 3.119 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737033500 599227089 /nfs/dbraw/zinc/22/70/89/599227089.db2.gz RBJDMKNUHRDCND-BFYDXBDKSA-N -1 3 399.495 3.119 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737033500 599227091 /nfs/dbraw/zinc/22/70/91/599227091.db2.gz RBJDMKNUHRDCND-BFYDXBDKSA-N -1 3 399.495 3.119 20 0 GGADHM Cc1cc(Cl)cc2c1N(C(=O)c1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000822202103 607264011 /nfs/dbraw/zinc/26/40/11/607264011.db2.gz LCRYVQSQPXXTBP-UHFFFAOYSA-N -1 3 389.246 3.470 20 0 GGADHM Cc1cc(Cl)cc2c1N(C(=O)c1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000822202103 607264012 /nfs/dbraw/zinc/26/40/12/607264012.db2.gz LCRYVQSQPXXTBP-UHFFFAOYSA-N -1 3 389.246 3.470 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823430867 607264991 /nfs/dbraw/zinc/26/49/91/607264991.db2.gz KOHXLBQVSWVAFU-UHFFFAOYSA-N -1 3 378.310 3.165 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823430867 607264992 /nfs/dbraw/zinc/26/49/92/607264992.db2.gz KOHXLBQVSWVAFU-UHFFFAOYSA-N -1 3 378.310 3.165 20 0 GGADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736241489 599228228 /nfs/dbraw/zinc/22/82/28/599228228.db2.gz OROSVEMOPQNKEI-RUXDESIVSA-N -1 3 375.498 3.128 20 0 GGADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736241489 599228231 /nfs/dbraw/zinc/22/82/31/599228231.db2.gz OROSVEMOPQNKEI-RUXDESIVSA-N -1 3 375.498 3.128 20 0 GGADHM CC(C)c1cnc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)s1 ZINC000735931774 599228564 /nfs/dbraw/zinc/22/85/64/599228564.db2.gz DSZUTAZDTQHCIH-HNNXBMFYSA-N -1 3 386.481 3.489 20 0 GGADHM CC(C)c1cnc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)s1 ZINC000735931774 599228567 /nfs/dbraw/zinc/22/85/67/599228567.db2.gz DSZUTAZDTQHCIH-HNNXBMFYSA-N -1 3 386.481 3.489 20 0 GGADHM Cc1c(NC(=O)c2csc(Cc3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000822116339 607268325 /nfs/dbraw/zinc/26/83/25/607268325.db2.gz PSBIBCTXOICGAJ-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Cc1c(NC(=O)c2csc(Cc3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000822116339 607268326 /nfs/dbraw/zinc/26/83/26/607268326.db2.gz PSBIBCTXOICGAJ-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Cc1ccc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000822254685 607265818 /nfs/dbraw/zinc/26/58/18/607265818.db2.gz OTDKKYQWSDZLNP-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1ccc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000822254685 607265819 /nfs/dbraw/zinc/26/58/19/607265819.db2.gz OTDKKYQWSDZLNP-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM CCCCCC[C@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736448502 599238158 /nfs/dbraw/zinc/23/81/58/599238158.db2.gz ZDQVHDDLKRPDDD-HNNXBMFYSA-N -1 3 388.491 3.261 20 0 GGADHM CCCCCC[C@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736448502 599238160 /nfs/dbraw/zinc/23/81/60/599238160.db2.gz ZDQVHDDLKRPDDD-HNNXBMFYSA-N -1 3 388.491 3.261 20 0 GGADHM CS[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000737169897 599244210 /nfs/dbraw/zinc/24/42/10/599244210.db2.gz FUOOTFVADFWZDK-DOTOQJQBSA-N -1 3 386.525 3.215 20 0 GGADHM CS[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000737169897 599244211 /nfs/dbraw/zinc/24/42/11/599244211.db2.gz FUOOTFVADFWZDK-DOTOQJQBSA-N -1 3 386.525 3.215 20 0 GGADHM CCCC[C@H](CC)CC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736439678 599241777 /nfs/dbraw/zinc/24/17/77/599241777.db2.gz YQSDIZRZSXTRKP-WMLDXEAASA-N -1 3 385.468 3.122 20 0 GGADHM CCCC[C@H](CC)CC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736439678 599241780 /nfs/dbraw/zinc/24/17/80/599241780.db2.gz YQSDIZRZSXTRKP-WMLDXEAASA-N -1 3 385.468 3.122 20 0 GGADHM Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822046226 607272265 /nfs/dbraw/zinc/27/22/65/607272265.db2.gz ZSZABAFRZQECDA-SFHVURJKSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822046226 607272266 /nfs/dbraw/zinc/27/22/66/607272266.db2.gz ZSZABAFRZQECDA-SFHVURJKSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1c(NC(=O)c2cc(F)cc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822107699 607269212 /nfs/dbraw/zinc/26/92/12/607269212.db2.gz BMKBUVIBCDHEPW-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1c(NC(=O)c2cc(F)cc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822107699 607269213 /nfs/dbraw/zinc/26/92/13/607269213.db2.gz BMKBUVIBCDHEPW-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822075399 607269578 /nfs/dbraw/zinc/26/95/78/607269578.db2.gz DSDZBPRTGGZHRR-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822075399 607269579 /nfs/dbraw/zinc/26/95/79/607269579.db2.gz DSDZBPRTGGZHRR-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C=CC2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000736605259 599245892 /nfs/dbraw/zinc/24/58/92/599245892.db2.gz IBUUMTAUPGXFLY-KTKRTIGZSA-N -1 3 389.481 3.488 20 0 GGADHM CCOC(=O)c1sc(NC(=O)/C=C\C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000736605259 599245894 /nfs/dbraw/zinc/24/58/94/599245894.db2.gz IBUUMTAUPGXFLY-KTKRTIGZSA-N -1 3 389.481 3.488 20 0 GGADHM CN(C)c1cccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736781035 599245978 /nfs/dbraw/zinc/24/59/78/599245978.db2.gz VIIHHSLIVJRXKV-GOSISDBHSA-N -1 3 393.520 3.467 20 0 GGADHM CN(C)c1cccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736781035 599245981 /nfs/dbraw/zinc/24/59/81/599245981.db2.gz VIIHHSLIVJRXKV-GOSISDBHSA-N -1 3 393.520 3.467 20 0 GGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737817919 599246730 /nfs/dbraw/zinc/24/67/30/599246730.db2.gz FPAAZPSDVGAFQP-LLVKDONJSA-N -1 3 381.461 3.312 20 0 GGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737817919 599246732 /nfs/dbraw/zinc/24/67/32/599246732.db2.gz FPAAZPSDVGAFQP-LLVKDONJSA-N -1 3 381.461 3.312 20 0 GGADHM CCc1cccc(CC)c1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821492130 599246982 /nfs/dbraw/zinc/24/69/82/599246982.db2.gz IAVIWYNKIYAGCS-UHFFFAOYSA-N -1 3 380.452 3.192 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000735659837 599247849 /nfs/dbraw/zinc/24/78/49/599247849.db2.gz FPGLTRDDKVEMJM-ZDUSSCGKSA-N -1 3 380.452 3.318 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000735659837 599247851 /nfs/dbraw/zinc/24/78/51/599247851.db2.gz FPGLTRDDKVEMJM-ZDUSSCGKSA-N -1 3 380.452 3.318 20 0 GGADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821883613 599247882 /nfs/dbraw/zinc/24/78/82/599247882.db2.gz YINUPVLJHFNGLJ-LPHOPBHVSA-N -1 3 398.854 3.380 20 0 GGADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821883613 599247884 /nfs/dbraw/zinc/24/78/84/599247884.db2.gz YINUPVLJHFNGLJ-LPHOPBHVSA-N -1 3 398.854 3.380 20 0 GGADHM Cc1ccc(-c2ccc(C(=O)Nc3ccncc3-c3nnn[n-]3)c(F)c2)cc1C ZINC000737289189 599248580 /nfs/dbraw/zinc/24/85/80/599248580.db2.gz TZHABNKTKDKKSF-UHFFFAOYSA-N -1 3 388.406 3.359 20 0 GGADHM Cc1ccc(-c2ccc(C(=O)Nc3ccncc3-c3nn[n-]n3)c(F)c2)cc1C ZINC000737289189 599248582 /nfs/dbraw/zinc/24/85/82/599248582.db2.gz TZHABNKTKDKKSF-UHFFFAOYSA-N -1 3 388.406 3.359 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000820372911 599248818 /nfs/dbraw/zinc/24/88/18/599248818.db2.gz DEHBITDTZNQXFS-QMMMGPOBSA-N -1 3 390.835 3.083 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000820372911 599248819 /nfs/dbraw/zinc/24/88/19/599248819.db2.gz DEHBITDTZNQXFS-QMMMGPOBSA-N -1 3 390.835 3.083 20 0 GGADHM C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380603 599249715 /nfs/dbraw/zinc/24/97/15/599249715.db2.gz XFKYEMMROWPNAC-CQSZACIVSA-N -1 3 377.452 3.350 20 0 GGADHM C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380603 599249717 /nfs/dbraw/zinc/24/97/17/599249717.db2.gz XFKYEMMROWPNAC-CQSZACIVSA-N -1 3 377.452 3.350 20 0 GGADHM CCc1ccccc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821492072 607279000 /nfs/dbraw/zinc/27/90/00/607279000.db2.gz FROZCQLRZBGVQZ-UHFFFAOYSA-N -1 3 377.448 3.113 20 0 GGADHM O=C(NC[C@@H]1OCCc2sccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823181942 599250681 /nfs/dbraw/zinc/25/06/81/599250681.db2.gz GBILBQBNMZUAOZ-ZDUSSCGKSA-N -1 3 390.856 3.017 20 0 GGADHM O=C(NC[C@@H]1OCCc2sccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823181942 599250683 /nfs/dbraw/zinc/25/06/83/599250683.db2.gz GBILBQBNMZUAOZ-ZDUSSCGKSA-N -1 3 390.856 3.017 20 0 GGADHM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccncc3-c3nnn[n-]3)ccc21 ZINC000736211963 599251591 /nfs/dbraw/zinc/25/15/91/599251591.db2.gz SSFCVBNGRNYULA-UHFFFAOYSA-N -1 3 376.464 3.285 20 0 GGADHM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccncc3-c3nn[n-]n3)ccc21 ZINC000736211963 599251592 /nfs/dbraw/zinc/25/15/92/599251592.db2.gz SSFCVBNGRNYULA-UHFFFAOYSA-N -1 3 376.464 3.285 20 0 GGADHM Cc1c(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000822084794 607280594 /nfs/dbraw/zinc/28/05/94/607280594.db2.gz PLTYSYVGRSFXIT-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1c(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000822084794 607280595 /nfs/dbraw/zinc/28/05/95/607280595.db2.gz PLTYSYVGRSFXIT-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM C[C@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820374610 599251715 /nfs/dbraw/zinc/25/17/15/599251715.db2.gz PCTFQYAVLJAGSK-VIFPVBQESA-N -1 3 386.799 3.132 20 0 GGADHM C[C@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820374610 599251718 /nfs/dbraw/zinc/25/17/18/599251718.db2.gz PCTFQYAVLJAGSK-VIFPVBQESA-N -1 3 386.799 3.132 20 0 GGADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820596920 599253956 /nfs/dbraw/zinc/25/39/56/599253956.db2.gz UZMXNKAZIDZYMX-UHFFFAOYSA-N -1 3 379.424 3.318 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822083977 607281402 /nfs/dbraw/zinc/28/14/02/607281402.db2.gz GIPNZBRMQXYSGB-ACJLOTCBSA-N -1 3 378.436 3.169 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822083977 607281403 /nfs/dbraw/zinc/28/14/03/607281403.db2.gz GIPNZBRMQXYSGB-ACJLOTCBSA-N -1 3 378.436 3.169 20 0 GGADHM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1F ZINC000737264355 599252260 /nfs/dbraw/zinc/25/22/60/599252260.db2.gz QQRVEDUJJQRLIE-UHFFFAOYSA-N -1 3 392.369 3.190 20 0 GGADHM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1F ZINC000737264355 599252262 /nfs/dbraw/zinc/25/22/62/599252262.db2.gz QQRVEDUJJQRLIE-UHFFFAOYSA-N -1 3 392.369 3.190 20 0 GGADHM Cc1c(NC(=O)NC[C@H](c2ccccc2Cl)N(C)C)cccc1-c1nn[n-]n1 ZINC000822096475 607287605 /nfs/dbraw/zinc/28/76/05/607287605.db2.gz NXIHJNJPYSPVPU-QGZVFWFLSA-N -1 3 399.886 3.253 20 0 GGADHM CCCOC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821127531 599254839 /nfs/dbraw/zinc/25/48/39/599254839.db2.gz HVRHCDDSFWNDCK-ZDUSSCGKSA-N -1 3 394.435 3.316 20 0 GGADHM CCCOC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821127531 599254841 /nfs/dbraw/zinc/25/48/41/599254841.db2.gz HVRHCDDSFWNDCK-ZDUSSCGKSA-N -1 3 394.435 3.316 20 0 GGADHM Cc1ccc(N2CCC[C@H](NC(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)cc1 ZINC000822240868 607288578 /nfs/dbraw/zinc/28/85/78/607288578.db2.gz BYBGVTWQKJFANU-INIZCTEOSA-N -1 3 391.479 3.274 20 0 GGADHM Cc1ccc(N2CCC[C@H](NC(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)cc1 ZINC000822240868 607288579 /nfs/dbraw/zinc/28/85/79/607288579.db2.gz BYBGVTWQKJFANU-INIZCTEOSA-N -1 3 391.479 3.274 20 0 GGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000819617772 597321795 /nfs/dbraw/zinc/32/17/95/597321795.db2.gz BSJPHUVQJAIVJJ-IBGZPJMESA-N -1 3 381.476 3.490 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccccc1CC(=O)[O-])N1CCc2ccccc2C1 ZINC000818140770 597324663 /nfs/dbraw/zinc/32/46/63/597324663.db2.gz KTUULXNSXDHBFJ-LJQANCHMSA-N -1 3 381.476 3.272 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)cccc1-c1nnn[n-]1 ZINC000822092741 607283428 /nfs/dbraw/zinc/28/34/28/607283428.db2.gz YXAAZNWHMJMALQ-HNNXBMFYSA-N -1 3 384.827 3.474 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)cccc1-c1nn[n-]n1 ZINC000822092741 607283429 /nfs/dbraw/zinc/28/34/29/607283429.db2.gz YXAAZNWHMJMALQ-HNNXBMFYSA-N -1 3 384.827 3.474 20 0 GGADHM COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821837965 607283975 /nfs/dbraw/zinc/28/39/75/607283975.db2.gz IKEGRDSVPBYPQX-GFCCVEGCSA-N -1 3 382.424 3.075 20 0 GGADHM COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821837965 607283976 /nfs/dbraw/zinc/28/39/76/607283976.db2.gz IKEGRDSVPBYPQX-GFCCVEGCSA-N -1 3 382.424 3.075 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821790779 607284690 /nfs/dbraw/zinc/28/46/90/607284690.db2.gz TZUVNFOMLRPALM-CYBMUJFWSA-N -1 3 380.452 3.327 20 0 GGADHM COc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821790779 607284691 /nfs/dbraw/zinc/28/46/91/607284691.db2.gz TZUVNFOMLRPALM-CYBMUJFWSA-N -1 3 380.452 3.327 20 0 GGADHM Cc1ccccc1N1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000737436262 599257470 /nfs/dbraw/zinc/25/74/70/599257470.db2.gz PTLXBKJKKHHCQF-UHFFFAOYSA-N -1 3 385.475 3.358 20 0 GGADHM Cc1ccccc1N1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CC1 ZINC000737436262 599257472 /nfs/dbraw/zinc/25/74/72/599257472.db2.gz PTLXBKJKKHHCQF-UHFFFAOYSA-N -1 3 385.475 3.358 20 0 GGADHM C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380442 599257483 /nfs/dbraw/zinc/25/74/83/599257483.db2.gz SSVVIIJTCBTCOT-SECBINFHSA-N -1 3 398.477 3.329 20 0 GGADHM C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380442 599257484 /nfs/dbraw/zinc/25/74/84/599257484.db2.gz SSVVIIJTCBTCOT-SECBINFHSA-N -1 3 398.477 3.329 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821889830 607285538 /nfs/dbraw/zinc/28/55/38/607285538.db2.gz GOYPOHGSKARWST-CYBMUJFWSA-N -1 3 380.452 3.279 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821889830 607285539 /nfs/dbraw/zinc/28/55/39/607285539.db2.gz GOYPOHGSKARWST-CYBMUJFWSA-N -1 3 380.452 3.279 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822090024 607285819 /nfs/dbraw/zinc/28/58/19/607285819.db2.gz IGKOHSNOHFWMTJ-VEVIJQCQSA-N -1 3 378.436 3.250 20 0 GGADHM Cc1c(NC(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822090024 607285820 /nfs/dbraw/zinc/28/58/20/607285820.db2.gz IGKOHSNOHFWMTJ-VEVIJQCQSA-N -1 3 378.436 3.250 20 0 GGADHM COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821862423 607287394 /nfs/dbraw/zinc/28/73/94/607287394.db2.gz BHXVWFKLMPXPFK-MRXNPFEDSA-N -1 3 392.463 3.423 20 0 GGADHM COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821862423 607287395 /nfs/dbraw/zinc/28/73/95/607287395.db2.gz BHXVWFKLMPXPFK-MRXNPFEDSA-N -1 3 392.463 3.423 20 0 GGADHM CC(C)(C)c1nnc(NCCSCc2ccccc2-c2nnn[n-]2)s1 ZINC000819971673 607302717 /nfs/dbraw/zinc/30/27/17/607302717.db2.gz QQRKHKJHWLWHQN-UHFFFAOYSA-N -1 3 375.527 3.361 20 0 GGADHM CC(C)(C)c1nnc(NCCSCc2ccccc2-c2nn[n-]n2)s1 ZINC000819971673 607302718 /nfs/dbraw/zinc/30/27/18/607302718.db2.gz QQRKHKJHWLWHQN-UHFFFAOYSA-N -1 3 375.527 3.361 20 0 GGADHM Cc1c(NC(=O)NCc2ccc(OC3CCCC3)nc2)cccc1-c1nnn[n-]1 ZINC000822104713 607289453 /nfs/dbraw/zinc/28/94/53/607289453.db2.gz PUSWHZUHRYSLON-UHFFFAOYSA-N -1 3 393.451 3.213 20 0 GGADHM Cc1c(NC(=O)NCc2ccc(OC3CCCC3)nc2)cccc1-c1nn[n-]n1 ZINC000822104713 607289454 /nfs/dbraw/zinc/28/94/54/607289454.db2.gz PUSWHZUHRYSLON-UHFFFAOYSA-N -1 3 393.451 3.213 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H](Oc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084931 607290556 /nfs/dbraw/zinc/29/05/56/607290556.db2.gz SSPQKGNOIQUFIA-INIZCTEOSA-N -1 3 378.436 3.250 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H](Oc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084931 607290557 /nfs/dbraw/zinc/29/05/57/607290557.db2.gz SSPQKGNOIQUFIA-INIZCTEOSA-N -1 3 378.436 3.250 20 0 GGADHM Cc1c(NC(=O)N2CCSC[C@@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822089259 607291606 /nfs/dbraw/zinc/29/16/06/607291606.db2.gz BWDOWJNSPJGQKJ-QGZVFWFLSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1c(NC(=O)N2CCSC[C@@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822089259 607291607 /nfs/dbraw/zinc/29/16/07/607291607.db2.gz BWDOWJNSPJGQKJ-QGZVFWFLSA-N -1 3 380.477 3.497 20 0 GGADHM CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000819828000 607291994 /nfs/dbraw/zinc/29/19/94/607291994.db2.gz WUQVRBDOJHNRHR-LBPRGKRZSA-N -1 3 379.424 3.016 20 0 GGADHM CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000819828000 607291995 /nfs/dbraw/zinc/29/19/95/607291995.db2.gz WUQVRBDOJHNRHR-LBPRGKRZSA-N -1 3 379.424 3.016 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822077112 607292243 /nfs/dbraw/zinc/29/22/43/607292243.db2.gz UABFZVBOZAQSSG-UHFFFAOYSA-N -1 3 379.449 3.449 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822077112 607292244 /nfs/dbraw/zinc/29/22/44/607292244.db2.gz UABFZVBOZAQSSG-UHFFFAOYSA-N -1 3 379.449 3.449 20 0 GGADHM Cc1c(NC(=O)c2cc3c(C(C)C)nn(C)c3s2)cccc1-c1nn[n-]n1 ZINC000822108272 607294240 /nfs/dbraw/zinc/29/42/40/607294240.db2.gz GJFMNGMTGLTZMG-UHFFFAOYSA-N -1 3 381.465 3.499 20 0 GGADHM CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000818368869 597412569 /nfs/dbraw/zinc/41/25/69/597412569.db2.gz LJETVZIHPKZGMO-IBGZPJMESA-N -1 3 381.476 3.442 20 0 GGADHM Cc1cc(Cl)cc2c1N(C(=O)COc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737264320 599259706 /nfs/dbraw/zinc/25/97/06/599259706.db2.gz PINYNIIURKJHHP-UHFFFAOYSA-N -1 3 383.839 3.187 20 0 GGADHM Cc1cc(Cl)cc2c1N(C(=O)COc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737264320 599259710 /nfs/dbraw/zinc/25/97/10/599259710.db2.gz PINYNIIURKJHHP-UHFFFAOYSA-N -1 3 383.839 3.187 20 0 GGADHM Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822061522 607296537 /nfs/dbraw/zinc/29/65/37/607296537.db2.gz OWWABZAHOIUHBK-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822061522 607296538 /nfs/dbraw/zinc/29/65/38/607296538.db2.gz OWWABZAHOIUHBK-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM CC1(C)C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820589829 607298228 /nfs/dbraw/zinc/29/82/28/607298228.db2.gz NLECFFJZUGHXND-KRWDZBQOSA-N -1 3 380.427 3.228 20 0 GGADHM CC1(C)C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820589829 607298229 /nfs/dbraw/zinc/29/82/29/607298229.db2.gz NLECFFJZUGHXND-KRWDZBQOSA-N -1 3 380.427 3.228 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822345939 607298494 /nfs/dbraw/zinc/29/84/94/607298494.db2.gz WYKPVZRZEXVOMP-HNNXBMFYSA-N -1 3 392.463 3.161 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822345939 607298495 /nfs/dbraw/zinc/29/84/95/607298495.db2.gz WYKPVZRZEXVOMP-HNNXBMFYSA-N -1 3 392.463 3.161 20 0 GGADHM CN(CCC1CCCCC1)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821599313 607299817 /nfs/dbraw/zinc/29/98/17/607299817.db2.gz OMDLPHLOQOJGEY-UHFFFAOYSA-N -1 3 398.511 3.404 20 0 GGADHM CN(CCC1CCCCC1)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821599313 607299818 /nfs/dbraw/zinc/29/98/18/607299818.db2.gz OMDLPHLOQOJGEY-UHFFFAOYSA-N -1 3 398.511 3.404 20 0 GGADHM CC(C)Oc1ccc(F)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820155616 607300160 /nfs/dbraw/zinc/30/01/60/607300160.db2.gz SSEQKXKGSCFZEJ-UHFFFAOYSA-N -1 3 376.779 3.094 20 0 GGADHM CC(C)Oc1ccc(F)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820155616 607300161 /nfs/dbraw/zinc/30/01/61/607300161.db2.gz SSEQKXKGSCFZEJ-UHFFFAOYSA-N -1 3 376.779 3.094 20 0 GGADHM Cc1ccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822259131 599261021 /nfs/dbraw/zinc/26/10/21/599261021.db2.gz NKMIPUVVYOEMMI-HUUCEWRRSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822259131 599261023 /nfs/dbraw/zinc/26/10/23/599261023.db2.gz NKMIPUVVYOEMMI-HUUCEWRRSA-N -1 3 380.452 3.003 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820860244 607300640 /nfs/dbraw/zinc/30/06/40/607300640.db2.gz IODODNCZZPJJRO-HUUCEWRRSA-N -1 3 398.511 3.401 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820860244 607300641 /nfs/dbraw/zinc/30/06/41/607300641.db2.gz IODODNCZZPJJRO-HUUCEWRRSA-N -1 3 398.511 3.401 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000735734861 599261226 /nfs/dbraw/zinc/26/12/26/599261226.db2.gz KFMXXVDSDBDKJF-CRAIPNDOSA-N -1 3 395.488 3.233 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000735734861 599261228 /nfs/dbraw/zinc/26/12/28/599261228.db2.gz KFMXXVDSDBDKJF-CRAIPNDOSA-N -1 3 395.488 3.233 20 0 GGADHM C[C@H]1CCC[C@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820690749 607301189 /nfs/dbraw/zinc/30/11/89/607301189.db2.gz RIFNIWHTGUUKRF-GJZGRUSLSA-N -1 3 384.484 3.013 20 0 GGADHM C[C@H]1CCC[C@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820690749 607301190 /nfs/dbraw/zinc/30/11/90/607301190.db2.gz RIFNIWHTGUUKRF-GJZGRUSLSA-N -1 3 384.484 3.013 20 0 GGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823347503 607301755 /nfs/dbraw/zinc/30/17/55/607301755.db2.gz YRTBXIGBKYIZCY-UHFFFAOYSA-N -1 3 388.790 3.095 20 0 GGADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823347503 607301756 /nfs/dbraw/zinc/30/17/56/607301756.db2.gz YRTBXIGBKYIZCY-UHFFFAOYSA-N -1 3 388.790 3.095 20 0 GGADHM O[C@H]1CCCC[C@@H]1CCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000823705343 607306421 /nfs/dbraw/zinc/30/64/21/607306421.db2.gz GDYRKTKLBGXOHH-BZNIZROVSA-N -1 3 388.422 3.436 20 0 GGADHM O[C@H]1CCCC[C@@H]1CCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000823705343 607306422 /nfs/dbraw/zinc/30/64/22/607306422.db2.gz GDYRKTKLBGXOHH-BZNIZROVSA-N -1 3 388.422 3.436 20 0 GGADHM COc1ccc(CNc2cc(NC(=O)C(C)C)ccc2C)cc1-c1nnn[n-]1 ZINC000821821840 607308182 /nfs/dbraw/zinc/30/81/82/607308182.db2.gz ZJLLOMMMEKJUHF-UHFFFAOYSA-N -1 3 380.452 3.390 20 0 GGADHM COc1ccc(CNc2cc(NC(=O)C(C)C)ccc2C)cc1-c1nn[n-]n1 ZINC000821821840 607308183 /nfs/dbraw/zinc/30/81/83/607308183.db2.gz ZJLLOMMMEKJUHF-UHFFFAOYSA-N -1 3 380.452 3.390 20 0 GGADHM FC(F)Oc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000822737055 607308717 /nfs/dbraw/zinc/30/87/17/607308717.db2.gz OLLDYHJGPZPECT-UHFFFAOYSA-N -1 3 391.769 3.381 20 0 GGADHM FC(F)Oc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000822737055 607308718 /nfs/dbraw/zinc/30/87/18/607308718.db2.gz OLLDYHJGPZPECT-UHFFFAOYSA-N -1 3 391.769 3.381 20 0 GGADHM COc1ccc(CNc2ccc(OCC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000821821327 607309196 /nfs/dbraw/zinc/30/91/96/607309196.db2.gz FGUFTCQPTWFTIU-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM COc1ccc(CNc2ccc(OCC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821821327 607309197 /nfs/dbraw/zinc/30/91/97/607309197.db2.gz FGUFTCQPTWFTIU-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM CN(C)c1cccc([C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000736780629 599264357 /nfs/dbraw/zinc/26/43/57/599264357.db2.gz RUGKDSFJZOIBCD-CBUFDYBVSA-N -1 3 388.475 3.310 20 0 GGADHM CN(C)c1cccc([C@@H]2CCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000736780629 599264359 /nfs/dbraw/zinc/26/43/59/599264359.db2.gz RUGKDSFJZOIBCD-CBUFDYBVSA-N -1 3 388.475 3.310 20 0 GGADHM COc1ccc(CNc2ccccc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000821823824 607310966 /nfs/dbraw/zinc/31/09/66/607310966.db2.gz DARUYDPQSUPEAX-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM COc1ccc(CNc2ccccc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000821823824 607310967 /nfs/dbraw/zinc/31/09/67/607310967.db2.gz DARUYDPQSUPEAX-UHFFFAOYSA-N -1 3 379.342 3.429 20 0 GGADHM FC(F)(F)COc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822718662 607313776 /nfs/dbraw/zinc/31/37/76/607313776.db2.gz NWZKXNUGNVESQX-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM FC(F)(F)COc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822718662 607313777 /nfs/dbraw/zinc/31/37/77/607313777.db2.gz NWZKXNUGNVESQX-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(N2CCCc3ccccc32)cc1 ZINC000823372933 607314566 /nfs/dbraw/zinc/31/45/66/607314566.db2.gz NUCAWSKJTMYIIL-UHFFFAOYSA-N -1 3 397.442 3.020 20 0 GGADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(N2CCCc3ccccc32)cc1 ZINC000823372933 607314567 /nfs/dbraw/zinc/31/45/67/607314567.db2.gz NUCAWSKJTMYIIL-UHFFFAOYSA-N -1 3 397.442 3.020 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000818478531 597513315 /nfs/dbraw/zinc/51/33/15/597513315.db2.gz OXRFRDNHJAHWEJ-UHFFFAOYSA-N -1 3 381.476 3.191 20 0 GGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1sccc1-c1nnn[n-]1 ZINC000823112219 607304215 /nfs/dbraw/zinc/30/42/15/607304215.db2.gz UZOBEJZVSRFQRF-UHFFFAOYSA-N -1 3 383.355 3.051 20 0 GGADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1sccc1-c1nn[n-]n1 ZINC000823112219 607304216 /nfs/dbraw/zinc/30/42/16/607304216.db2.gz UZOBEJZVSRFQRF-UHFFFAOYSA-N -1 3 383.355 3.051 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@@H]1CCSC1 ZINC000823356902 599266233 /nfs/dbraw/zinc/26/62/33/599266233.db2.gz QZPYFYLXAYGEDA-CYBMUJFWSA-N -1 3 382.449 3.286 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@@H]1CCSC1 ZINC000823356902 599266235 /nfs/dbraw/zinc/26/62/35/599266235.db2.gz QZPYFYLXAYGEDA-CYBMUJFWSA-N -1 3 382.449 3.286 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCOC1 ZINC000820380325 599266564 /nfs/dbraw/zinc/26/65/64/599266564.db2.gz QGRSUCRBMMKMFS-ZFWWWQNUSA-N -1 3 394.435 3.206 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCOC1 ZINC000820380325 599266567 /nfs/dbraw/zinc/26/65/67/599266567.db2.gz QGRSUCRBMMKMFS-ZFWWWQNUSA-N -1 3 394.435 3.206 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819949907 607316571 /nfs/dbraw/zinc/31/65/71/607316571.db2.gz BSQCRBCRSFVQQJ-UHFFFAOYSA-N -1 3 391.522 3.254 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819949907 607316572 /nfs/dbraw/zinc/31/65/72/607316572.db2.gz BSQCRBCRSFVQQJ-UHFFFAOYSA-N -1 3 391.522 3.254 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C[C@H]1C ZINC000821407685 599267457 /nfs/dbraw/zinc/26/74/57/599267457.db2.gz VJNGVTBHIBUGMP-CYBMUJFWSA-N -1 3 378.436 3.244 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C[C@H]1C ZINC000821407685 599267459 /nfs/dbraw/zinc/26/74/59/599267459.db2.gz VJNGVTBHIBUGMP-CYBMUJFWSA-N -1 3 378.436 3.244 20 0 GGADHM COC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821674236 599268036 /nfs/dbraw/zinc/26/80/36/599268036.db2.gz YBDGFEKRSROISY-UHFFFAOYSA-N -1 3 382.424 3.206 20 0 GGADHM COC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821674236 599268038 /nfs/dbraw/zinc/26/80/38/599268038.db2.gz YBDGFEKRSROISY-UHFFFAOYSA-N -1 3 382.424 3.206 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000822217846 599270015 /nfs/dbraw/zinc/27/00/15/599270015.db2.gz PNFXKJLDMURTST-ACJLOTCBSA-N -1 3 396.426 3.308 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000822217846 599270019 /nfs/dbraw/zinc/27/00/19/599270019.db2.gz PNFXKJLDMURTST-ACJLOTCBSA-N -1 3 396.426 3.308 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736130003 599273139 /nfs/dbraw/zinc/27/31/39/599273139.db2.gz KSKGSPDRICUMMF-SECBINFHSA-N -1 3 398.275 3.213 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736130003 599273141 /nfs/dbraw/zinc/27/31/41/599273141.db2.gz KSKGSPDRICUMMF-SECBINFHSA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(OC2CCCC2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380445 599273513 /nfs/dbraw/zinc/27/35/13/599273513.db2.gz STIMMTDZJIXKDU-ZDUSSCGKSA-N -1 3 393.451 3.466 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(OC2CCCC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380445 599273516 /nfs/dbraw/zinc/27/35/16/599273516.db2.gz STIMMTDZJIXKDU-ZDUSSCGKSA-N -1 3 393.451 3.466 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737390145 599274877 /nfs/dbraw/zinc/27/48/77/599274877.db2.gz QGKDUHJQCGURRR-SFHVURJKSA-N -1 3 397.504 3.481 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737390145 599274880 /nfs/dbraw/zinc/27/48/80/599274880.db2.gz QGKDUHJQCGURRR-SFHVURJKSA-N -1 3 397.504 3.481 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000736488480 599275511 /nfs/dbraw/zinc/27/55/11/599275511.db2.gz RWYYYKDDRJBREE-UHFFFAOYSA-N -1 3 390.403 3.047 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000736487438 599276604 /nfs/dbraw/zinc/27/66/04/599276604.db2.gz FFJIAVBTKBNXCG-UHFFFAOYSA-N -1 3 391.435 3.431 20 0 GGADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccncc1 ZINC000820919988 599277287 /nfs/dbraw/zinc/27/72/87/599277287.db2.gz IPJPASGBVXOERF-GFCCVEGCSA-N -1 3 389.366 3.136 20 0 GGADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccncc1 ZINC000820919988 599277289 /nfs/dbraw/zinc/27/72/89/599277289.db2.gz IPJPASGBVXOERF-GFCCVEGCSA-N -1 3 389.366 3.136 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc(SCC)c1 ZINC000736488929 599277456 /nfs/dbraw/zinc/27/74/56/599277456.db2.gz UXQZZAIWITWFRP-UHFFFAOYSA-N -1 3 383.481 3.448 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(OCC(F)(F)F)c1 ZINC000823449757 607319839 /nfs/dbraw/zinc/31/98/39/607319839.db2.gz BOBMXJQWVZVECG-UHFFFAOYSA-N -1 3 382.273 3.166 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(OCC(F)(F)F)c1 ZINC000823449757 607319840 /nfs/dbraw/zinc/31/98/40/607319840.db2.gz BOBMXJQWVZVECG-UHFFFAOYSA-N -1 3 382.273 3.166 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000736489384 599278269 /nfs/dbraw/zinc/27/82/69/599278269.db2.gz ZEKMLXULIJNYCD-UHFFFAOYSA-N -1 3 376.464 3.359 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1sc2c(c1C)CCCC2 ZINC000737033441 599279596 /nfs/dbraw/zinc/27/95/96/599279596.db2.gz PDFXTOWYLZBNLT-UHFFFAOYSA-N -1 3 399.476 3.142 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1sc2c(c1C)CCCC2 ZINC000737033441 599279598 /nfs/dbraw/zinc/27/95/98/599279598.db2.gz PDFXTOWYLZBNLT-UHFFFAOYSA-N -1 3 399.476 3.142 20 0 GGADHM CCc1nc2cc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000736705511 599280032 /nfs/dbraw/zinc/28/00/32/599280032.db2.gz KLKRPQBHOQLMPQ-UHFFFAOYSA-N -1 3 377.408 3.234 20 0 GGADHM CCc1nc2cc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000736705511 599280033 /nfs/dbraw/zinc/28/00/33/599280033.db2.gz KLKRPQBHOQLMPQ-UHFFFAOYSA-N -1 3 377.408 3.234 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCOC1 ZINC000820379718 599281493 /nfs/dbraw/zinc/28/14/93/599281493.db2.gz FDWDRWGTGUWTHP-ZFWWWQNUSA-N -1 3 394.435 3.206 20 0 GGADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCOC1 ZINC000820379718 599281496 /nfs/dbraw/zinc/28/14/96/599281496.db2.gz FDWDRWGTGUWTHP-ZFWWWQNUSA-N -1 3 394.435 3.206 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccnc(Oc2ccccc2)c1 ZINC000823257779 599285974 /nfs/dbraw/zinc/28/59/74/599285974.db2.gz TVZMCJAVMASDJF-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccnc(Oc2ccccc2)c1 ZINC000823257779 599285976 /nfs/dbraw/zinc/28/59/76/599285976.db2.gz TVZMCJAVMASDJF-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM CCOCCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736617620 599286053 /nfs/dbraw/zinc/28/60/53/599286053.db2.gz ZHTYHPJTKJSNFY-UHFFFAOYSA-N -1 3 382.420 3.029 20 0 GGADHM CCOCCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736617620 599286054 /nfs/dbraw/zinc/28/60/54/599286054.db2.gz ZHTYHPJTKJSNFY-UHFFFAOYSA-N -1 3 382.420 3.029 20 0 GGADHM O=C(NCc1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823254186 599287118 /nfs/dbraw/zinc/28/71/18/599287118.db2.gz QLTNRKUZGYKBAT-UHFFFAOYSA-N -1 3 398.295 3.485 20 0 GGADHM O=C(NCc1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823254186 599287119 /nfs/dbraw/zinc/28/71/19/599287119.db2.gz QLTNRKUZGYKBAT-UHFFFAOYSA-N -1 3 398.295 3.485 20 0 GGADHM O=C(NCCCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823188353 599287228 /nfs/dbraw/zinc/28/72/28/599287228.db2.gz YASSYCUKJFXFEQ-UHFFFAOYSA-N -1 3 382.268 3.350 20 0 GGADHM O=C(NCCCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823188353 599287230 /nfs/dbraw/zinc/28/72/30/599287230.db2.gz YASSYCUKJFXFEQ-UHFFFAOYSA-N -1 3 382.268 3.350 20 0 GGADHM Cc1csc([C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000737455456 599287939 /nfs/dbraw/zinc/28/79/39/599287939.db2.gz RUDVZHPMVJTKAC-BBRMVZONSA-N -1 3 397.508 3.282 20 0 GGADHM Cc1csc([C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737455456 599287940 /nfs/dbraw/zinc/28/79/40/599287940.db2.gz RUDVZHPMVJTKAC-BBRMVZONSA-N -1 3 397.508 3.282 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1 ZINC000820373930 599288252 /nfs/dbraw/zinc/28/82/52/599288252.db2.gz LPSFFFLVMGDFBC-VIFPVBQESA-N -1 3 377.330 3.163 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1 ZINC000820373930 599288253 /nfs/dbraw/zinc/28/82/53/599288253.db2.gz LPSFFFLVMGDFBC-VIFPVBQESA-N -1 3 377.330 3.163 20 0 GGADHM Cc1ccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737306760 599288552 /nfs/dbraw/zinc/28/85/52/599288552.db2.gz SCTXCKGVUOSESG-ZDUSSCGKSA-N -1 3 378.465 3.313 20 0 GGADHM Cc1ccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737306760 599288554 /nfs/dbraw/zinc/28/85/54/599288554.db2.gz SCTXCKGVUOSESG-ZDUSSCGKSA-N -1 3 378.465 3.313 20 0 GGADHM Cc1c(NC(=O)c2cn(C)nc2-c2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822116835 607321313 /nfs/dbraw/zinc/32/13/13/607321313.db2.gz ZCSOVXQVTJVPFL-UHFFFAOYSA-N -1 3 393.838 3.481 20 0 GGADHM Cc1c(NC(=O)c2cn(C)nc2-c2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822116835 607321314 /nfs/dbraw/zinc/32/13/14/607321314.db2.gz ZCSOVXQVTJVPFL-UHFFFAOYSA-N -1 3 393.838 3.481 20 0 GGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000821007562 607323377 /nfs/dbraw/zinc/32/33/77/607323377.db2.gz AOQCOKVAYJDZIM-FQEVSTJZSA-N -1 3 397.435 3.157 20 0 GGADHM CCC[C@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000821007562 607323378 /nfs/dbraw/zinc/32/33/78/607323378.db2.gz AOQCOKVAYJDZIM-FQEVSTJZSA-N -1 3 397.435 3.157 20 0 GGADHM CCN(C(=O)c1sc(NC2CC2)nc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160453 607324031 /nfs/dbraw/zinc/32/40/31/607324031.db2.gz KWEMGVSQAMSQMJ-LBPRGKRZSA-N -1 3 397.508 3.429 20 0 GGADHM CCN(C(=O)c1sc(NC2CC2)nc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160453 607324032 /nfs/dbraw/zinc/32/40/32/607324032.db2.gz KWEMGVSQAMSQMJ-LBPRGKRZSA-N -1 3 397.508 3.429 20 0 GGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821009646 607324065 /nfs/dbraw/zinc/32/40/65/607324065.db2.gz XRSFFOYDXOSANU-HXUWFJFHSA-N -1 3 399.426 3.074 20 0 GGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821009646 607324066 /nfs/dbraw/zinc/32/40/66/607324066.db2.gz XRSFFOYDXOSANU-HXUWFJFHSA-N -1 3 399.426 3.074 20 0 GGADHM O=C([O-])C1CCC(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000821504186 598101013 /nfs/dbraw/zinc/10/10/13/598101013.db2.gz BFKJTOXWEMLACO-UHFFFAOYSA-N -1 3 376.766 3.135 20 0 GGADHM CN(CC(F)F)C1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000821595069 607328549 /nfs/dbraw/zinc/32/85/49/607328549.db2.gz LPLZGIPWFFBTCF-UHFFFAOYSA-N -1 3 390.360 3.051 20 0 GGADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820220266 607331561 /nfs/dbraw/zinc/33/15/61/607331561.db2.gz PVVWXFZPNLBXFF-QMTHXVAHSA-N -1 3 390.369 3.109 20 0 GGADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820220266 607331562 /nfs/dbraw/zinc/33/15/62/607331562.db2.gz PVVWXFZPNLBXFF-QMTHXVAHSA-N -1 3 390.369 3.109 20 0 GGADHM CC(C)CC(=O)N1CCC(Nc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)CC1 ZINC000820050816 607345498 /nfs/dbraw/zinc/34/54/98/607345498.db2.gz GQYLJFWBACEQMT-UHFFFAOYSA-N -1 3 396.417 3.335 20 0 GGADHM CC(C)CC(=O)N1CCC(Nc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC000820050816 607345500 /nfs/dbraw/zinc/34/55/00/607345500.db2.gz GQYLJFWBACEQMT-UHFFFAOYSA-N -1 3 396.417 3.335 20 0 GGADHM CCc1ccc([C@H](N[C@@H](C)CC(=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000820479852 598212720 /nfs/dbraw/zinc/21/27/20/598212720.db2.gz DFRWMGYKTVSFCB-XOBRGWDASA-N -1 3 375.490 3.195 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000736186342 598231906 /nfs/dbraw/zinc/23/19/06/598231906.db2.gz YZFQVRNJWOJXKZ-DJJJIMSYSA-N -1 3 395.438 3.431 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000736186342 598231908 /nfs/dbraw/zinc/23/19/08/598231908.db2.gz YZFQVRNJWOJXKZ-DJJJIMSYSA-N -1 3 395.438 3.431 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737925007 598232573 /nfs/dbraw/zinc/23/25/73/598232573.db2.gz LXTKSXFAZSBZBK-LJQANCHMSA-N -1 3 381.411 3.042 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737925007 598232574 /nfs/dbraw/zinc/23/25/74/598232574.db2.gz LXTKSXFAZSBZBK-LJQANCHMSA-N -1 3 381.411 3.042 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738171678 598232705 /nfs/dbraw/zinc/23/27/05/598232705.db2.gz JHERTXTTZQKDEN-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738171678 598232706 /nfs/dbraw/zinc/23/27/06/598232706.db2.gz JHERTXTTZQKDEN-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738292246 598235392 /nfs/dbraw/zinc/23/53/92/598235392.db2.gz KDFPLZSNCQJRAT-UHFFFAOYSA-N -1 3 375.404 3.226 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738292246 598235393 /nfs/dbraw/zinc/23/53/93/598235393.db2.gz KDFPLZSNCQJRAT-UHFFFAOYSA-N -1 3 375.404 3.226 20 0 GGADHM Cc1ccc(CCC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737338500 598236825 /nfs/dbraw/zinc/23/68/25/598236825.db2.gz UIUMFOYREKVZER-UHFFFAOYSA-N -1 3 391.475 3.178 20 0 GGADHM Cc1ccc(CCC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737338500 598236827 /nfs/dbraw/zinc/23/68/27/598236827.db2.gz UIUMFOYREKVZER-UHFFFAOYSA-N -1 3 391.475 3.178 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737154308 598240110 /nfs/dbraw/zinc/24/01/10/598240110.db2.gz ZZQIOXOSEPQYNP-UHFFFAOYSA-N -1 3 397.504 3.105 20 0 GGADHM COc1ccccc1CC(C)(C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737154308 598240111 /nfs/dbraw/zinc/24/01/11/598240111.db2.gz ZZQIOXOSEPQYNP-UHFFFAOYSA-N -1 3 397.504 3.105 20 0 GGADHM Brc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735369417 598245025 /nfs/dbraw/zinc/24/50/25/598245025.db2.gz TYNBSILJKQKQAO-MRXNPFEDSA-N -1 3 386.253 3.207 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000737024083 598246172 /nfs/dbraw/zinc/24/61/72/598246172.db2.gz KEDBUXQOMNRGQD-LLVKDONJSA-N -1 3 387.827 3.243 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000737024083 598246173 /nfs/dbraw/zinc/24/61/73/598246173.db2.gz KEDBUXQOMNRGQD-LLVKDONJSA-N -1 3 387.827 3.243 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000735627094 598246565 /nfs/dbraw/zinc/24/65/65/598246565.db2.gz MPSMKSLTOXGIFS-NSHDSACASA-N -1 3 394.426 3.204 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000735627094 598246566 /nfs/dbraw/zinc/24/65/66/598246566.db2.gz MPSMKSLTOXGIFS-NSHDSACASA-N -1 3 394.426 3.204 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735484402 598249536 /nfs/dbraw/zinc/24/95/36/598249536.db2.gz KRUMSLKBUVWNEA-UHFFFAOYSA-N -1 3 387.241 3.200 20 0 GGADHM CC(=O)Nc1ccc(Br)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735484402 598249538 /nfs/dbraw/zinc/24/95/38/598249538.db2.gz KRUMSLKBUVWNEA-UHFFFAOYSA-N -1 3 387.241 3.200 20 0 GGADHM O=C(CNc1ccc2scnc2c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737898210 598250806 /nfs/dbraw/zinc/25/08/06/598250806.db2.gz GCRMOHUPHMWHDT-UHFFFAOYSA-N -1 3 385.840 3.180 20 0 GGADHM O=C(CNc1ccc2scnc2c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737898210 598250808 /nfs/dbraw/zinc/25/08/08/598250808.db2.gz GCRMOHUPHMWHDT-UHFFFAOYSA-N -1 3 385.840 3.180 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000737548372 598252615 /nfs/dbraw/zinc/25/26/15/598252615.db2.gz PDSFKBGHXZOVIB-WFASDCNBSA-N -1 3 398.442 3.032 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1C ZINC000737548372 598252616 /nfs/dbraw/zinc/25/26/16/598252616.db2.gz PDSFKBGHXZOVIB-WFASDCNBSA-N -1 3 398.442 3.032 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113659 598254565 /nfs/dbraw/zinc/25/45/65/598254565.db2.gz RHRRCAFFJNHWQX-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113659 598254567 /nfs/dbraw/zinc/25/45/67/598254567.db2.gz RHRRCAFFJNHWQX-SUMWQHHRSA-N -1 3 380.427 3.266 20 0 GGADHM O=C(Nc1cccc(F)c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738181936 598256464 /nfs/dbraw/zinc/25/64/64/598256464.db2.gz BVQBWYIILVSMMD-UHFFFAOYSA-N -1 3 382.399 3.081 20 0 GGADHM O=C(Nc1cccc(F)c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738181936 598256465 /nfs/dbraw/zinc/25/64/65/598256465.db2.gz BVQBWYIILVSMMD-UHFFFAOYSA-N -1 3 382.399 3.081 20 0 GGADHM CC(C)N(Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000735873549 598257187 /nfs/dbraw/zinc/25/71/87/598257187.db2.gz GLGWNXXFICWQQV-UHFFFAOYSA-N -1 3 378.480 3.118 20 0 GGADHM CC(C)N(Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000735873549 598257190 /nfs/dbraw/zinc/25/71/90/598257190.db2.gz GLGWNXXFICWQQV-UHFFFAOYSA-N -1 3 378.480 3.118 20 0 GGADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736260108 598263080 /nfs/dbraw/zinc/26/30/80/598263080.db2.gz HNTQJQHKCCNJMN-MLGOLLRUSA-N -1 3 379.424 3.364 20 0 GGADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736260108 598263083 /nfs/dbraw/zinc/26/30/83/598263083.db2.gz HNTQJQHKCCNJMN-MLGOLLRUSA-N -1 3 379.424 3.364 20 0 GGADHM Cc1ccccc1NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737437536 598264525 /nfs/dbraw/zinc/26/45/25/598264525.db2.gz WJDIYIMZGULALB-UHFFFAOYSA-N -1 3 378.436 3.250 20 0 GGADHM Cc1ccccc1NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737437536 598264526 /nfs/dbraw/zinc/26/45/26/598264526.db2.gz WJDIYIMZGULALB-UHFFFAOYSA-N -1 3 378.436 3.250 20 0 GGADHM Cc1cc(F)ccc1NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737270252 598264571 /nfs/dbraw/zinc/26/45/71/598264571.db2.gz MKKSEHCBYRBEDP-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cc1cc(F)ccc1NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737270252 598264572 /nfs/dbraw/zinc/26/45/72/598264572.db2.gz MKKSEHCBYRBEDP-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cn1cc(NC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737609504 598267643 /nfs/dbraw/zinc/26/76/43/598267643.db2.gz IQQDFNJJEWPFET-UHFFFAOYSA-N -1 3 376.380 3.037 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736251529 598268167 /nfs/dbraw/zinc/26/81/67/598268167.db2.gz OVCDIZZRAIWFSB-HZPDHXFCSA-N -1 3 398.511 3.246 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736251529 598268170 /nfs/dbraw/zinc/26/81/70/598268170.db2.gz OVCDIZZRAIWFSB-HZPDHXFCSA-N -1 3 398.511 3.246 20 0 GGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736176368 598270105 /nfs/dbraw/zinc/27/01/05/598270105.db2.gz RXJMERZCEMTARR-MRVPVSSYSA-N -1 3 379.754 3.204 20 0 GGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736176368 598270109 /nfs/dbraw/zinc/27/01/09/598270109.db2.gz RXJMERZCEMTARR-MRVPVSSYSA-N -1 3 379.754 3.204 20 0 GGADHM C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736271814 598270794 /nfs/dbraw/zinc/27/07/94/598270794.db2.gz OOVHYOBENGKIIW-DOTOQJQBSA-N -1 3 398.511 3.246 20 0 GGADHM C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736271814 598270795 /nfs/dbraw/zinc/27/07/95/598270795.db2.gz OOVHYOBENGKIIW-DOTOQJQBSA-N -1 3 398.511 3.246 20 0 GGADHM CCOc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000736648265 598271435 /nfs/dbraw/zinc/27/14/35/598271435.db2.gz YKMJCAMRFQXAQV-ZDUSSCGKSA-N -1 3 398.492 3.397 20 0 GGADHM CCOc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000736648265 598271437 /nfs/dbraw/zinc/27/14/37/598271437.db2.gz YKMJCAMRFQXAQV-ZDUSSCGKSA-N -1 3 398.492 3.397 20 0 GGADHM Fc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000737670946 598274667 /nfs/dbraw/zinc/27/46/67/598274667.db2.gz YACQWQKVPMAAOV-UHFFFAOYSA-N -1 3 392.360 3.351 20 0 GGADHM FC(F)(F)c1cc(N2CCO[C@@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737633663 598275690 /nfs/dbraw/zinc/27/56/90/598275690.db2.gz URHDZMPASRYPJJ-MRXNPFEDSA-N -1 3 375.354 3.463 20 0 GGADHM FC(F)(F)c1cc(N2CCO[C@@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737633663 598275692 /nfs/dbraw/zinc/27/56/92/598275692.db2.gz URHDZMPASRYPJJ-MRXNPFEDSA-N -1 3 375.354 3.463 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(Cc1cccnc1)C1CC1 ZINC000735660298 598275999 /nfs/dbraw/zinc/27/59/99/598275999.db2.gz LIYKSJCVVZAIRK-UHFFFAOYSA-N -1 3 380.456 3.015 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(Cc1cccnc1)C1CC1 ZINC000735660298 598276001 /nfs/dbraw/zinc/27/60/01/598276001.db2.gz LIYKSJCVVZAIRK-UHFFFAOYSA-N -1 3 380.456 3.015 20 0 GGADHM Cc1ccc(OCCN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737365578 598277079 /nfs/dbraw/zinc/27/70/79/598277079.db2.gz KPIMJDDAUYVAFN-UHFFFAOYSA-N -1 3 397.483 3.274 20 0 GGADHM Cc1ccc(OCCN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737365578 598277081 /nfs/dbraw/zinc/27/70/81/598277081.db2.gz KPIMJDDAUYVAFN-UHFFFAOYSA-N -1 3 397.483 3.274 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@@H](CC)C(C)C)c(-c2nnn[n-]2)c1C ZINC000736604933 598277769 /nfs/dbraw/zinc/27/77/69/598277769.db2.gz AMOGCOUVTUYHJJ-LLVKDONJSA-N -1 3 379.486 3.424 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@@H](CC)C(C)C)c(-c2nn[n-]n2)c1C ZINC000736604933 598277770 /nfs/dbraw/zinc/27/77/70/598277770.db2.gz AMOGCOUVTUYHJJ-LLVKDONJSA-N -1 3 379.486 3.424 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@H](CC)C(C)C)c(-c2nnn[n-]2)c1C ZINC000736604934 598277814 /nfs/dbraw/zinc/27/78/14/598277814.db2.gz AMOGCOUVTUYHJJ-NSHDSACASA-N -1 3 379.486 3.424 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@H](CC)C(C)C)c(-c2nn[n-]n2)c1C ZINC000736604934 598277815 /nfs/dbraw/zinc/27/78/15/598277815.db2.gz AMOGCOUVTUYHJJ-NSHDSACASA-N -1 3 379.486 3.424 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)no1 ZINC000737261507 598278555 /nfs/dbraw/zinc/27/85/55/598278555.db2.gz DFNGXUCQJSMIQD-CQSZACIVSA-N -1 3 384.444 3.089 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)no1 ZINC000737261507 598278556 /nfs/dbraw/zinc/27/85/56/598278556.db2.gz DFNGXUCQJSMIQD-CQSZACIVSA-N -1 3 384.444 3.089 20 0 GGADHM CN(C(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741512 598278937 /nfs/dbraw/zinc/27/89/37/598278937.db2.gz ROYFHWGJFBSKPO-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM CN(C(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741512 598278939 /nfs/dbraw/zinc/27/89/39/598278939.db2.gz ROYFHWGJFBSKPO-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM COc1ccc2c(c1)CN(C(=O)Nc1cc(-c3nnn[n-]3)cn1C(C)(C)C)CC2 ZINC000737118440 598280040 /nfs/dbraw/zinc/28/00/40/598280040.db2.gz FATNWTHICDTLBG-UHFFFAOYSA-N -1 3 395.467 3.022 20 0 GGADHM COc1ccc2c(c1)CN(C(=O)Nc1cc(-c3nn[n-]n3)cn1C(C)(C)C)CC2 ZINC000737118440 598280042 /nfs/dbraw/zinc/28/00/42/598280042.db2.gz FATNWTHICDTLBG-UHFFFAOYSA-N -1 3 395.467 3.022 20 0 GGADHM CN(C(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742961 598280356 /nfs/dbraw/zinc/28/03/56/598280356.db2.gz VOIOGANZFQEVSU-UHFFFAOYSA-N -1 3 395.316 3.224 20 0 GGADHM CN(C(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742961 598280358 /nfs/dbraw/zinc/28/03/58/598280358.db2.gz VOIOGANZFQEVSU-UHFFFAOYSA-N -1 3 395.316 3.224 20 0 GGADHM C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736296806 598282557 /nfs/dbraw/zinc/28/25/57/598282557.db2.gz JRICHAOSRJJSLP-YWZLYKJASA-N -1 3 388.475 3.061 20 0 GGADHM C[C@H](CC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CCCCC1 ZINC000735977386 598289214 /nfs/dbraw/zinc/28/92/14/598289214.db2.gz NWSZZWNPAWJDLS-RDTXWAMCSA-N -1 3 397.479 3.122 20 0 GGADHM C[C@H](CC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CCCCC1 ZINC000735977386 598289217 /nfs/dbraw/zinc/28/92/17/598289217.db2.gz NWSZZWNPAWJDLS-RDTXWAMCSA-N -1 3 397.479 3.122 20 0 GGADHM O=C(Cc1ccccc1Br)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737969809 598289586 /nfs/dbraw/zinc/28/95/86/598289586.db2.gz TYPQOSULIUGKCC-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1ccccc1Br)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737969809 598289587 /nfs/dbraw/zinc/28/95/87/598289587.db2.gz TYPQOSULIUGKCC-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM COc1ccc(C2(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)CCC2)cc1 ZINC000737078159 598289588 /nfs/dbraw/zinc/28/95/88/598289588.db2.gz UWQWEAGFTRCDQW-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1ccc(C2(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)CCC2)cc1 ZINC000737078159 598289589 /nfs/dbraw/zinc/28/95/89/598289589.db2.gz UWQWEAGFTRCDQW-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM O=C(Cc1ccccc1Br)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737969636 598289770 /nfs/dbraw/zinc/28/97/70/598289770.db2.gz QFGCQQLBRDXZJD-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1ccccc1Br)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737969636 598289771 /nfs/dbraw/zinc/28/97/71/598289771.db2.gz QFGCQQLBRDXZJD-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM COc1ccc(C2(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)CCC2)cc1 ZINC000737077663 598289900 /nfs/dbraw/zinc/28/99/00/598289900.db2.gz SAYURGRKHGYWJE-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM COc1ccc(C2(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)CCC2)cc1 ZINC000737077663 598289901 /nfs/dbraw/zinc/28/99/01/598289901.db2.gz SAYURGRKHGYWJE-UHFFFAOYSA-N -1 3 382.395 3.180 20 0 GGADHM C[C@@]1(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000736205597 598290576 /nfs/dbraw/zinc/29/05/76/598290576.db2.gz KPQUELMYSBMCDT-OAQYLSRUSA-N -1 3 378.432 3.083 20 0 GGADHM C[C@@]1(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000736205597 598290577 /nfs/dbraw/zinc/29/05/77/598290577.db2.gz KPQUELMYSBMCDT-OAQYLSRUSA-N -1 3 378.432 3.083 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1C(F)(F)F ZINC000738330464 598291105 /nfs/dbraw/zinc/29/11/05/598291105.db2.gz OXENGNSPFWPOFM-UHFFFAOYSA-N -1 3 382.367 3.001 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1C(F)(F)F ZINC000738330464 598291106 /nfs/dbraw/zinc/29/11/06/598291106.db2.gz OXENGNSPFWPOFM-UHFFFAOYSA-N -1 3 382.367 3.001 20 0 GGADHM COc1ccccc1-c1c[nH]cc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737141264 598291494 /nfs/dbraw/zinc/29/14/94/598291494.db2.gz ACOJCDYYKKHGMH-UHFFFAOYSA-N -1 3 375.388 3.227 20 0 GGADHM COc1ccccc1-c1c[nH]cc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737141264 598291495 /nfs/dbraw/zinc/29/14/95/598291495.db2.gz ACOJCDYYKKHGMH-UHFFFAOYSA-N -1 3 375.388 3.227 20 0 GGADHM CCn1cc(N=c2scc(-c3ccc(-c4nnn[n-]4)cc3)n2C2CC2)cn1 ZINC000736723679 598294339 /nfs/dbraw/zinc/29/43/39/598294339.db2.gz XGNGABJDODXEFR-UHFFFAOYSA-N -1 3 378.465 3.180 20 0 GGADHM CCn1cc(N=c2scc(-c3ccc(-c4nn[n-]n4)cc3)n2C2CC2)cn1 ZINC000736723679 598294341 /nfs/dbraw/zinc/29/43/41/598294341.db2.gz XGNGABJDODXEFR-UHFFFAOYSA-N -1 3 378.465 3.180 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2c(F)cccc2F)n1 ZINC000518415860 598294986 /nfs/dbraw/zinc/29/49/86/598294986.db2.gz HMPIUVJSIMJYMM-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2c(F)cccc2F)n1 ZINC000518415860 598294989 /nfs/dbraw/zinc/29/49/89/598294989.db2.gz HMPIUVJSIMJYMM-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(-c2ccco2)nc1C ZINC000737026490 598296132 /nfs/dbraw/zinc/29/61/32/598296132.db2.gz WMIUHZPMGFIMJW-UHFFFAOYSA-N -1 3 377.360 3.058 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(-c2ccco2)nc1C ZINC000737026490 598296134 /nfs/dbraw/zinc/29/61/34/598296134.db2.gz WMIUHZPMGFIMJW-UHFFFAOYSA-N -1 3 377.360 3.058 20 0 GGADHM c1cc(-c2noc(CSc3nc4c(cc3-c3nnn[n-]3)CCCC4)n2)co1 ZINC000738413549 598296546 /nfs/dbraw/zinc/29/65/46/598296546.db2.gz VNOZWGJFZGJWQR-UHFFFAOYSA-N -1 3 381.421 3.076 20 0 GGADHM c1cc(-c2noc(CSc3nc4c(cc3-c3nn[n-]n3)CCCC4)n2)co1 ZINC000738413549 598296548 /nfs/dbraw/zinc/29/65/48/598296548.db2.gz VNOZWGJFZGJWQR-UHFFFAOYSA-N -1 3 381.421 3.076 20 0 GGADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000732085280 598296875 /nfs/dbraw/zinc/29/68/75/598296875.db2.gz IFNMYDVCRRCXIG-RDRICISKSA-N -1 3 377.448 3.374 20 0 GGADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000732085280 598296876 /nfs/dbraw/zinc/29/68/76/598296876.db2.gz IFNMYDVCRRCXIG-RDRICISKSA-N -1 3 377.448 3.374 20 0 GGADHM CC(C)Oc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735912965 598296921 /nfs/dbraw/zinc/29/69/21/598296921.db2.gz KZYPAUQMVGGHBT-UHFFFAOYSA-N -1 3 386.456 3.280 20 0 GGADHM CC(C)Oc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735912965 598296923 /nfs/dbraw/zinc/29/69/23/598296923.db2.gz KZYPAUQMVGGHBT-UHFFFAOYSA-N -1 3 386.456 3.280 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc(C(C)C)n(C)c1=S ZINC000736481767 598298732 /nfs/dbraw/zinc/29/87/32/598298732.db2.gz USSFPHBOKGQDKR-UHFFFAOYSA-N -1 3 386.529 3.124 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc(C(C)C)n(C)c1=S ZINC000736481767 598298733 /nfs/dbraw/zinc/29/87/33/598298733.db2.gz USSFPHBOKGQDKR-UHFFFAOYSA-N -1 3 386.529 3.124 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737562225 598302337 /nfs/dbraw/zinc/30/23/37/598302337.db2.gz LPEHAWSXNFGUQZ-UHFFFAOYSA-N -1 3 396.357 3.038 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737562225 598302339 /nfs/dbraw/zinc/30/23/39/598302339.db2.gz LPEHAWSXNFGUQZ-UHFFFAOYSA-N -1 3 396.357 3.038 20 0 GGADHM Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737463089 598303375 /nfs/dbraw/zinc/30/33/75/598303375.db2.gz HSZHBKYDQPDINN-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737463089 598303377 /nfs/dbraw/zinc/30/33/77/598303377.db2.gz HSZHBKYDQPDINN-UHFFFAOYSA-N -1 3 394.435 3.368 20 0 GGADHM CCc1ccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)s1 ZINC000736684658 598308275 /nfs/dbraw/zinc/30/82/75/598308275.db2.gz CERPSLCEUXQFNS-UHFFFAOYSA-N -1 3 395.444 3.275 20 0 GGADHM CCc1ccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)s1 ZINC000736684658 598308276 /nfs/dbraw/zinc/30/82/76/598308276.db2.gz CERPSLCEUXQFNS-UHFFFAOYSA-N -1 3 395.444 3.275 20 0 GGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)on2)cc1 ZINC000737285234 598310891 /nfs/dbraw/zinc/31/08/91/598310891.db2.gz PPTOXZBPPYNTRI-UHFFFAOYSA-N -1 3 378.367 3.246 20 0 GGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)on2)cc1 ZINC000737285234 598310893 /nfs/dbraw/zinc/31/08/93/598310893.db2.gz PPTOXZBPPYNTRI-UHFFFAOYSA-N -1 3 378.367 3.246 20 0 GGADHM Cc1cccc(C)c1-n1nnnc1CSCc1cc(-c2nnn[n-]2)ccc1F ZINC000737386859 598313795 /nfs/dbraw/zinc/31/37/95/598313795.db2.gz DKKRFYNACZDMEA-UHFFFAOYSA-N -1 3 396.455 3.032 20 0 GGADHM Cc1cccc(C)c1-n1nnnc1CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000737386859 598313797 /nfs/dbraw/zinc/31/37/97/598313797.db2.gz DKKRFYNACZDMEA-UHFFFAOYSA-N -1 3 396.455 3.032 20 0 GGADHM c1cc(CSCc2nc(-c3ccc4c(c3)OCO4)no2)cc(-c2nnn[n-]2)c1 ZINC000738413225 598314689 /nfs/dbraw/zinc/31/46/89/598314689.db2.gz OKZLTKFLTWPQIH-UHFFFAOYSA-N -1 3 394.416 3.079 20 0 GGADHM c1cc(CSCc2nc(-c3ccc4c(c3)OCO4)no2)cc(-c2nn[n-]n2)c1 ZINC000738413225 598314692 /nfs/dbraw/zinc/31/46/92/598314692.db2.gz OKZLTKFLTWPQIH-UHFFFAOYSA-N -1 3 394.416 3.079 20 0 GGADHM COc1ccc(Br)cc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000737065347 598316248 /nfs/dbraw/zinc/31/62/48/598316248.db2.gz JUWYHCNJOTWFJX-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM COc1ccc(Br)cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000737065347 598316250 /nfs/dbraw/zinc/31/62/50/598316250.db2.gz JUWYHCNJOTWFJX-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM c1sc(-c2ccc3c(c2)OCO3)nc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000738420746 598316748 /nfs/dbraw/zinc/31/67/48/598316748.db2.gz JUDOPWRXLPPALI-UHFFFAOYSA-N -1 3 396.457 3.406 20 0 GGADHM c1sc(-c2ccc3c(c2)OCO3)nc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000738420746 598316749 /nfs/dbraw/zinc/31/67/49/598316749.db2.gz JUDOPWRXLPPALI-UHFFFAOYSA-N -1 3 396.457 3.406 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1nc2c(s1)CCCCC2 ZINC000738101531 598316898 /nfs/dbraw/zinc/31/68/98/598316898.db2.gz ZFORNQFIPKZZMQ-UHFFFAOYSA-N -1 3 387.444 3.053 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1nc2c(s1)CCCCC2 ZINC000738101531 598316900 /nfs/dbraw/zinc/31/69/00/598316900.db2.gz ZFORNQFIPKZZMQ-UHFFFAOYSA-N -1 3 387.444 3.053 20 0 GGADHM COC(=O)c1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736948825 598317341 /nfs/dbraw/zinc/31/73/41/598317341.db2.gz PXLMVVYSDCOKJE-UHFFFAOYSA-N -1 3 388.840 3.116 20 0 GGADHM COC(=O)c1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736948825 598317343 /nfs/dbraw/zinc/31/73/43/598317343.db2.gz PXLMVVYSDCOKJE-UHFFFAOYSA-N -1 3 388.840 3.116 20 0 GGADHM C[C@H](NC(=O)N1CCCO[C@@H](c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112952 598318893 /nfs/dbraw/zinc/31/88/93/598318893.db2.gz LDSUTZTXIQBZOZ-HNAYVOBHSA-N -1 3 392.463 3.101 20 0 GGADHM C[C@H](NC(=O)N1CCCO[C@@H](c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112952 598318895 /nfs/dbraw/zinc/31/88/95/598318895.db2.gz LDSUTZTXIQBZOZ-HNAYVOBHSA-N -1 3 392.463 3.101 20 0 GGADHM C[C@@H](Cc1cccs1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736066187 598320148 /nfs/dbraw/zinc/32/01/48/598320148.db2.gz LLSACLMYZMZXEP-VIFPVBQESA-N -1 3 378.914 3.499 20 0 GGADHM C[C@@H](Cc1cccs1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736066187 598320150 /nfs/dbraw/zinc/32/01/50/598320150.db2.gz LLSACLMYZMZXEP-VIFPVBQESA-N -1 3 378.914 3.499 20 0 GGADHM COc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737104401 598320904 /nfs/dbraw/zinc/32/09/04/598320904.db2.gz OQPZQNLXRRMOGD-UHFFFAOYSA-N -1 3 378.820 3.477 20 0 GGADHM COc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737104401 598320906 /nfs/dbraw/zinc/32/09/06/598320906.db2.gz OQPZQNLXRRMOGD-UHFFFAOYSA-N -1 3 378.820 3.477 20 0 GGADHM S=C(NC[C@H]1CC1(Cl)Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400805 598321320 /nfs/dbraw/zinc/32/13/20/598321320.db2.gz KPEYEFVMRUXOTQ-ZCFIWIBFSA-N -1 3 377.688 3.000 20 0 GGADHM S=C(NC[C@H]1CC1(Cl)Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400805 598321322 /nfs/dbraw/zinc/32/13/22/598321322.db2.gz KPEYEFVMRUXOTQ-ZCFIWIBFSA-N -1 3 377.688 3.000 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H](c1ccccc1)C1CCC1 ZINC000738101295 598321453 /nfs/dbraw/zinc/32/14/53/598321453.db2.gz VIVABFCOWAECPB-GOSISDBHSA-N -1 3 380.427 3.346 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H](c1ccccc1)C1CCC1 ZINC000738101295 598321455 /nfs/dbraw/zinc/32/14/55/598321455.db2.gz VIVABFCOWAECPB-GOSISDBHSA-N -1 3 380.427 3.346 20 0 GGADHM Cc1cc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(C)c1O ZINC000737265547 598322589 /nfs/dbraw/zinc/32/25/89/598322589.db2.gz XFUWFHKGLNCFMF-UHFFFAOYSA-N -1 3 388.884 3.329 20 0 GGADHM Cc1cc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(C)c1O ZINC000737265547 598322590 /nfs/dbraw/zinc/32/25/90/598322590.db2.gz XFUWFHKGLNCFMF-UHFFFAOYSA-N -1 3 388.884 3.329 20 0 GGADHM Cc1nc2ccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2s1 ZINC000737488320 598322706 /nfs/dbraw/zinc/32/27/06/598322706.db2.gz PEOHAAXUBXTOAD-UHFFFAOYSA-N -1 3 383.412 3.246 20 0 GGADHM Cc1nc2ccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2s1 ZINC000737488320 598322708 /nfs/dbraw/zinc/32/27/08/598322708.db2.gz PEOHAAXUBXTOAD-UHFFFAOYSA-N -1 3 383.412 3.246 20 0 GGADHM O=C(NCCc1ccccc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738088552 598324534 /nfs/dbraw/zinc/32/45/34/598324534.db2.gz RDDBHLFIUVBRLF-UHFFFAOYSA-N -1 3 389.415 3.011 20 0 GGADHM O=C(NCCc1ccccc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738088552 598324536 /nfs/dbraw/zinc/32/45/36/598324536.db2.gz RDDBHLFIUVBRLF-UHFFFAOYSA-N -1 3 389.415 3.011 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(COCC2CC2)c1 ZINC000738100772 598324699 /nfs/dbraw/zinc/32/46/99/598324699.db2.gz UAWCJAAIKZCFTB-UHFFFAOYSA-N -1 3 396.426 3.254 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(COCC2CC2)c1 ZINC000738100772 598324700 /nfs/dbraw/zinc/32/47/00/598324700.db2.gz UAWCJAAIKZCFTB-UHFFFAOYSA-N -1 3 396.426 3.254 20 0 GGADHM CN(Cc1cccs1)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736828093 598325506 /nfs/dbraw/zinc/32/55/06/598325506.db2.gz HNVDEFKDIRQXIK-UHFFFAOYSA-N -1 3 395.444 3.372 20 0 GGADHM CN(Cc1cccs1)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736828093 598325508 /nfs/dbraw/zinc/32/55/08/598325508.db2.gz HNVDEFKDIRQXIK-UHFFFAOYSA-N -1 3 395.444 3.372 20 0 GGADHM CO[C@H]1CCC[C@H](OC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736964127 598325866 /nfs/dbraw/zinc/32/58/66/598325866.db2.gz ZLKODLKEPSWTBS-RDJZCZTQSA-N -1 3 398.419 3.153 20 0 GGADHM CO[C@H]1CCC[C@H](OC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736964127 598325868 /nfs/dbraw/zinc/32/58/68/598325868.db2.gz ZLKODLKEPSWTBS-RDJZCZTQSA-N -1 3 398.419 3.153 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)c1ccc(C(F)F)cc1 ZINC000738085926 598326110 /nfs/dbraw/zinc/32/61/10/598326110.db2.gz QLHPRAUCNWPMAK-UHFFFAOYSA-N -1 3 389.431 3.468 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1ccc(C(F)F)cc1 ZINC000738085926 598326112 /nfs/dbraw/zinc/32/61/12/598326112.db2.gz QLHPRAUCNWPMAK-UHFFFAOYSA-N -1 3 389.431 3.468 20 0 GGADHM O=C(Oc1cccc(F)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738247455 598326240 /nfs/dbraw/zinc/32/62/40/598326240.db2.gz PJLGLDPASUHFSI-UHFFFAOYSA-N -1 3 380.335 3.397 20 0 GGADHM O=C(Oc1cccc(F)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738247455 598326242 /nfs/dbraw/zinc/32/62/42/598326242.db2.gz PJLGLDPASUHFSI-UHFFFAOYSA-N -1 3 380.335 3.397 20 0 GGADHM Cc1ccccc1CN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000737425671 598327256 /nfs/dbraw/zinc/32/72/56/598327256.db2.gz CTJGHKUNSYLURK-UHFFFAOYSA-N -1 3 380.427 3.188 20 0 GGADHM Cc1ccccc1CN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000737425671 598327258 /nfs/dbraw/zinc/32/72/58/598327258.db2.gz CTJGHKUNSYLURK-UHFFFAOYSA-N -1 3 380.427 3.188 20 0 GGADHM CN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccccc1F ZINC000736742894 598328383 /nfs/dbraw/zinc/32/83/83/598328383.db2.gz TZCOCCTUOWANJG-UHFFFAOYSA-N -1 3 393.378 3.454 20 0 GGADHM CN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccccc1F ZINC000736742894 598328385 /nfs/dbraw/zinc/32/83/85/598328385.db2.gz TZCOCCTUOWANJG-UHFFFAOYSA-N -1 3 393.378 3.454 20 0 GGADHM O=C(Nc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1)c1cccs1 ZINC000738189535 598330034 /nfs/dbraw/zinc/33/00/34/598330034.db2.gz HTDQMLDOUSOZCI-UHFFFAOYSA-N -1 3 396.457 3.494 20 0 GGADHM O=C(Nc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1)c1cccs1 ZINC000738189535 598330035 /nfs/dbraw/zinc/33/00/35/598330035.db2.gz HTDQMLDOUSOZCI-UHFFFAOYSA-N -1 3 396.457 3.494 20 0 GGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737343835 598333874 /nfs/dbraw/zinc/33/38/74/598333874.db2.gz VHYLAMTVAITQJW-AWEZNQCLSA-N -1 3 396.882 3.085 20 0 GGADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737343835 598333876 /nfs/dbraw/zinc/33/38/76/598333876.db2.gz VHYLAMTVAITQJW-AWEZNQCLSA-N -1 3 396.882 3.085 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCc2ccc(F)cc2C1 ZINC000822955006 607351487 /nfs/dbraw/zinc/35/14/87/607351487.db2.gz IERFGTNKHPIOFF-UHFFFAOYSA-N -1 3 395.438 3.140 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCc2ccc(F)cc2C1 ZINC000822955006 607351488 /nfs/dbraw/zinc/35/14/88/607351488.db2.gz IERFGTNKHPIOFF-UHFFFAOYSA-N -1 3 395.438 3.140 20 0 GGADHM CCC(CC)n1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000820898056 607351689 /nfs/dbraw/zinc/35/16/89/607351689.db2.gz SXHGCGRDVBNMFZ-UHFFFAOYSA-N -1 3 376.367 3.060 20 0 GGADHM CCC(CC)n1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000820898056 607351692 /nfs/dbraw/zinc/35/16/92/607351692.db2.gz SXHGCGRDVBNMFZ-UHFFFAOYSA-N -1 3 376.367 3.060 20 0 GGADHM CCn1c(C)nnc1Sc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000736720123 598353165 /nfs/dbraw/zinc/35/31/65/598353165.db2.gz IOTRBAXQZSDQIU-UHFFFAOYSA-N -1 3 391.464 3.047 20 0 GGADHM CCn1c(C)nnc1Sc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736720123 598353166 /nfs/dbraw/zinc/35/31/66/598353166.db2.gz IOTRBAXQZSDQIU-UHFFFAOYSA-N -1 3 391.464 3.047 20 0 GGADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820220463 607353406 /nfs/dbraw/zinc/35/34/06/607353406.db2.gz VNQPAFBNYCXCCF-DIFFPNOSSA-N -1 3 398.854 3.376 20 0 GGADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820220463 607353408 /nfs/dbraw/zinc/35/34/08/607353408.db2.gz VNQPAFBNYCXCCF-DIFFPNOSSA-N -1 3 398.854 3.376 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000737100657 598354161 /nfs/dbraw/zinc/35/41/61/598354161.db2.gz ZBWPFDAZMCCFQI-CQSZACIVSA-N -1 3 399.886 3.231 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000737100657 598354162 /nfs/dbraw/zinc/35/41/62/598354162.db2.gz ZBWPFDAZMCCFQI-CQSZACIVSA-N -1 3 399.886 3.231 20 0 GGADHM O=C(OCCc1cccc(OC(F)(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000823410250 607353552 /nfs/dbraw/zinc/35/35/52/607353552.db2.gz UEWFEPOPNRNZEJ-UHFFFAOYSA-N -1 3 384.339 3.226 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC2(CCCCC2)CC1 ZINC000442984671 598355597 /nfs/dbraw/zinc/35/55/97/598355597.db2.gz AMCULQNZHUSXJL-UHFFFAOYSA-N -1 3 395.916 3.255 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC2(CCCCC2)CC1 ZINC000442984671 598355599 /nfs/dbraw/zinc/35/55/99/598355599.db2.gz AMCULQNZHUSXJL-UHFFFAOYSA-N -1 3 395.916 3.255 20 0 GGADHM CC(=O)c1ccc(OCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)cc1F ZINC000735499699 598358757 /nfs/dbraw/zinc/35/87/57/598358757.db2.gz SFCKVKPEERESDU-UHFFFAOYSA-N -1 3 392.394 3.282 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1coc(-c2cccs2)n1 ZINC000736627100 598358836 /nfs/dbraw/zinc/35/88/36/598358836.db2.gz KNJZEAKZVRBHCI-UHFFFAOYSA-N -1 3 397.416 3.130 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1coc(-c2cccs2)n1 ZINC000736627100 598358838 /nfs/dbraw/zinc/35/88/38/598358838.db2.gz KNJZEAKZVRBHCI-UHFFFAOYSA-N -1 3 397.416 3.130 20 0 GGADHM C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110047 598358865 /nfs/dbraw/zinc/35/88/65/598358865.db2.gz DEGUDKGFBLSILA-NSHDSACASA-N -1 3 380.433 3.003 20 0 GGADHM C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110047 598358867 /nfs/dbraw/zinc/35/88/67/598358867.db2.gz DEGUDKGFBLSILA-NSHDSACASA-N -1 3 380.433 3.003 20 0 GGADHM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738185489 598360900 /nfs/dbraw/zinc/36/09/00/598360900.db2.gz YGUNYTIJOQGSRW-UHFFFAOYSA-N -1 3 399.410 3.476 20 0 GGADHM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738185489 598360901 /nfs/dbraw/zinc/36/09/01/598360901.db2.gz YGUNYTIJOQGSRW-UHFFFAOYSA-N -1 3 399.410 3.476 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000737290097 598361312 /nfs/dbraw/zinc/36/13/12/598361312.db2.gz BMZOXPCMCUVLBV-QZTJIDSGSA-N -1 3 378.436 3.217 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000737290097 598361314 /nfs/dbraw/zinc/36/13/14/598361314.db2.gz BMZOXPCMCUVLBV-QZTJIDSGSA-N -1 3 378.436 3.217 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000736182798 598361583 /nfs/dbraw/zinc/36/15/83/598361583.db2.gz PXCWCRQIMNPVNM-WMZOPIPTSA-N -1 3 391.475 3.115 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000736182798 598361585 /nfs/dbraw/zinc/36/15/85/598361585.db2.gz PXCWCRQIMNPVNM-WMZOPIPTSA-N -1 3 391.475 3.115 20 0 GGADHM c1cnn(-c2ccc(CSCCOc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000738447107 598362689 /nfs/dbraw/zinc/36/26/89/598362689.db2.gz DDVPJXPLBNWVNX-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM CN(C)c1ccc(-c2cncc(C(=O)Nc3sccc3-c3nnn[n-]3)c2)cc1 ZINC000821588201 607349284 /nfs/dbraw/zinc/34/92/84/607349284.db2.gz HAODGSVKPOVBNF-UHFFFAOYSA-N -1 3 391.460 3.309 20 0 GGADHM CN(C)c1ccc(-c2cncc(C(=O)Nc3sccc3-c3nn[n-]n3)c2)cc1 ZINC000821588201 607349286 /nfs/dbraw/zinc/34/92/86/607349286.db2.gz HAODGSVKPOVBNF-UHFFFAOYSA-N -1 3 391.460 3.309 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000737802037 598367020 /nfs/dbraw/zinc/36/70/20/598367020.db2.gz OKLGDMLVQWBBNV-KHPPLWFESA-N -1 3 398.430 3.181 20 0 GGADHM Cc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1OCC(F)F ZINC000737355429 598367199 /nfs/dbraw/zinc/36/71/99/598367199.db2.gz GUBLRRMCGYHKRU-UHFFFAOYSA-N -1 3 387.390 3.390 20 0 GGADHM Cc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1OCC(F)F ZINC000737355429 598367201 /nfs/dbraw/zinc/36/72/01/598367201.db2.gz GUBLRRMCGYHKRU-UHFFFAOYSA-N -1 3 387.390 3.390 20 0 GGADHM CC(C)(C)c1nc(CC(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cs1 ZINC000735655466 598370846 /nfs/dbraw/zinc/37/08/46/598370846.db2.gz AEEDUGRIKIMKEN-UHFFFAOYSA-N -1 3 396.476 3.159 20 0 GGADHM CC(C)(C)c1nc(CC(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cs1 ZINC000735655466 598370848 /nfs/dbraw/zinc/37/08/48/598370848.db2.gz AEEDUGRIKIMKEN-UHFFFAOYSA-N -1 3 396.476 3.159 20 0 GGADHM Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737281161 598372449 /nfs/dbraw/zinc/37/24/49/598372449.db2.gz QSXNPNDMESFPEQ-XLIONFOSSA-N -1 3 397.442 3.046 20 0 GGADHM Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737281161 598372451 /nfs/dbraw/zinc/37/24/51/598372451.db2.gz QSXNPNDMESFPEQ-XLIONFOSSA-N -1 3 397.442 3.046 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@H]1CCCOC1 ZINC000737279215 598372838 /nfs/dbraw/zinc/37/28/38/598372838.db2.gz IAIWRQXBFMFCRC-HNNXBMFYSA-N -1 3 394.435 3.268 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@H]1CCCOC1 ZINC000737279215 598372840 /nfs/dbraw/zinc/37/28/40/598372840.db2.gz IAIWRQXBFMFCRC-HNNXBMFYSA-N -1 3 394.435 3.268 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000735661519 598375174 /nfs/dbraw/zinc/37/51/74/598375174.db2.gz UDKPYXDKXJRRPR-MRXNPFEDSA-N -1 3 394.483 3.142 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000735661519 598375176 /nfs/dbraw/zinc/37/51/76/598375176.db2.gz UDKPYXDKXJRRPR-MRXNPFEDSA-N -1 3 394.483 3.142 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735651989 598375422 /nfs/dbraw/zinc/37/54/22/598375422.db2.gz ZUTGTQAVJRYEGO-LJQANCHMSA-N -1 3 393.491 3.294 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735651989 598375423 /nfs/dbraw/zinc/37/54/23/598375423.db2.gz ZUTGTQAVJRYEGO-LJQANCHMSA-N -1 3 393.491 3.294 20 0 GGADHM CCN(C(=S)Nc1ccc(OC)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508042 598378262 /nfs/dbraw/zinc/37/82/62/598378262.db2.gz INSQCEVAJNULCF-GFCCVEGCSA-N -1 3 383.481 3.050 20 0 GGADHM CCN(C(=S)Nc1ccc(OC)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508042 598378264 /nfs/dbraw/zinc/37/82/64/598378264.db2.gz INSQCEVAJNULCF-GFCCVEGCSA-N -1 3 383.481 3.050 20 0 GGADHM S=C(Nc1ccc(OC2CCCC2)nc1)Nc1ccccc1-c1nnn[n-]1 ZINC000738406381 598379306 /nfs/dbraw/zinc/37/93/06/598379306.db2.gz DESVSNGHYMPIIE-UHFFFAOYSA-N -1 3 381.465 3.392 20 0 GGADHM S=C(Nc1ccc(OC2CCCC2)nc1)Nc1ccccc1-c1nn[n-]n1 ZINC000738406381 598379307 /nfs/dbraw/zinc/37/93/07/598379307.db2.gz DESVSNGHYMPIIE-UHFFFAOYSA-N -1 3 381.465 3.392 20 0 GGADHM Cc1cc2occ(CC(=O)Nc3ccncc3-c3nnn[n-]3)c2cc1C(C)C ZINC000737285369 598379503 /nfs/dbraw/zinc/37/95/03/598379503.db2.gz QZHQKMLENHZKKC-UHFFFAOYSA-N -1 3 376.420 3.043 20 0 GGADHM Cc1cc2occ(CC(=O)Nc3ccncc3-c3nn[n-]n3)c2cc1C(C)C ZINC000737285369 598379505 /nfs/dbraw/zinc/37/95/05/598379505.db2.gz QZHQKMLENHZKKC-UHFFFAOYSA-N -1 3 376.420 3.043 20 0 GGADHM COc1ccc2cc(C=C3N=C(c4ccc(-c5nnn[n-]5)cc4)OC3=O)ccc2c1 ZINC000737119031 598380138 /nfs/dbraw/zinc/38/01/38/598380138.db2.gz KTDZDYRSNQYTPH-YBFXNURJSA-N -1 3 397.394 3.373 20 0 GGADHM COc1ccc2cc(C=C3N=C(c4ccc(-c5nn[n-]n5)cc4)OC3=O)ccc2c1 ZINC000737119031 598380140 /nfs/dbraw/zinc/38/01/40/598380140.db2.gz KTDZDYRSNQYTPH-YBFXNURJSA-N -1 3 397.394 3.373 20 0 GGADHM CCCCOc1ccc(OC)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736462670 598382650 /nfs/dbraw/zinc/38/26/50/598382650.db2.gz FVFLCCOXBRCGHX-UHFFFAOYSA-N -1 3 396.451 3.105 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737894788 598385667 /nfs/dbraw/zinc/38/56/67/598385667.db2.gz KIQMVBUZQXILFL-UHFFFAOYSA-N -1 3 395.442 3.047 20 0 GGADHM COc1cc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc(OC)c1OC ZINC000737040683 598389487 /nfs/dbraw/zinc/38/94/87/598389487.db2.gz KEDRJKBUKUSLTR-SECBINFHSA-N -1 3 390.831 3.114 20 0 GGADHM COc1cc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc(OC)c1OC ZINC000737040683 598389489 /nfs/dbraw/zinc/38/94/89/598389489.db2.gz KEDRJKBUKUSLTR-SECBINFHSA-N -1 3 390.831 3.114 20 0 GGADHM COc1ccc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)cc1OC(F)F ZINC000737090739 598389648 /nfs/dbraw/zinc/38/96/48/598389648.db2.gz LUCGMKGUXUSGHD-UHFFFAOYSA-N -1 3 396.785 3.162 20 0 GGADHM COc1ccc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)cc1OC(F)F ZINC000737090739 598389650 /nfs/dbraw/zinc/38/96/50/598389650.db2.gz LUCGMKGUXUSGHD-UHFFFAOYSA-N -1 3 396.785 3.162 20 0 GGADHM CC[C@H](C)NC(=O)c1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736326528 598391004 /nfs/dbraw/zinc/39/10/04/598391004.db2.gz NDOHJCJQNNZAMD-NSHDSACASA-N -1 3 385.859 3.056 20 0 GGADHM CC[C@H](C)NC(=O)c1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736326528 598391006 /nfs/dbraw/zinc/39/10/06/598391006.db2.gz NDOHJCJQNNZAMD-NSHDSACASA-N -1 3 385.859 3.056 20 0 GGADHM CCN(C)c1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736511668 598391085 /nfs/dbraw/zinc/39/10/85/598391085.db2.gz ICUXDXSTWZLLBC-UHFFFAOYSA-N -1 3 396.499 3.201 20 0 GGADHM CCN(C)c1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736511668 598391086 /nfs/dbraw/zinc/39/10/86/598391086.db2.gz ICUXDXSTWZLLBC-UHFFFAOYSA-N -1 3 396.499 3.201 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737469832 598391249 /nfs/dbraw/zinc/39/12/49/598391249.db2.gz CNISCWYTZYOCGO-CMPLNLGQSA-N -1 3 385.497 3.404 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737469832 598391251 /nfs/dbraw/zinc/39/12/51/598391251.db2.gz CNISCWYTZYOCGO-CMPLNLGQSA-N -1 3 385.497 3.404 20 0 GGADHM Fc1ccc(Br)cc1CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737653415 598393312 /nfs/dbraw/zinc/39/33/12/598393312.db2.gz ZXMGEKMKUOOMIU-UHFFFAOYSA-N -1 3 397.639 3.471 20 0 GGADHM Fc1ccc(Br)cc1CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737653415 598393314 /nfs/dbraw/zinc/39/33/14/598393314.db2.gz ZXMGEKMKUOOMIU-UHFFFAOYSA-N -1 3 397.639 3.471 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C(C)=O)cs1 ZINC000736627711 598393604 /nfs/dbraw/zinc/39/36/04/598393604.db2.gz MBAKLGKIWKGWLA-UHFFFAOYSA-N -1 3 392.824 3.402 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C(C)=O)cs1 ZINC000736627711 598393606 /nfs/dbraw/zinc/39/36/06/598393606.db2.gz MBAKLGKIWKGWLA-UHFFFAOYSA-N -1 3 392.824 3.402 20 0 GGADHM CC(C)COc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735838035 598394030 /nfs/dbraw/zinc/39/40/30/598394030.db2.gz MXPSKSCJRSWWGW-WQRHYEAKSA-N -1 3 389.415 3.246 20 0 GGADHM CC(C)COc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735838035 598394033 /nfs/dbraw/zinc/39/40/33/598394033.db2.gz MXPSKSCJRSWWGW-WQRHYEAKSA-N -1 3 389.415 3.246 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737129934 598394484 /nfs/dbraw/zinc/39/44/84/598394484.db2.gz NVYHRFZPQWHULZ-UONOGXRCSA-N -1 3 381.461 3.168 20 0 GGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737129934 598394487 /nfs/dbraw/zinc/39/44/87/598394487.db2.gz NVYHRFZPQWHULZ-UONOGXRCSA-N -1 3 381.461 3.168 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000737222308 598395814 /nfs/dbraw/zinc/39/58/14/598395814.db2.gz XAZMQJAPPFYFSZ-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1ccccc1C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000737419700 598397729 /nfs/dbraw/zinc/39/77/29/598397729.db2.gz APJYECVMFGIPEJ-MRXNPFEDSA-N -1 3 391.475 3.349 20 0 GGADHM Cc1ccccc1C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000737419700 598397730 /nfs/dbraw/zinc/39/77/30/598397730.db2.gz APJYECVMFGIPEJ-MRXNPFEDSA-N -1 3 391.475 3.349 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCc2ccc(F)cc21 ZINC000737933265 598399305 /nfs/dbraw/zinc/39/93/05/598399305.db2.gz WBISUZKTHBJYLR-QGZVFWFLSA-N -1 3 383.452 3.043 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCc2ccc(F)cc21 ZINC000737933265 598399307 /nfs/dbraw/zinc/39/93/07/598399307.db2.gz WBISUZKTHBJYLR-QGZVFWFLSA-N -1 3 383.452 3.043 20 0 GGADHM Cc1ccccc1C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000737422203 598406042 /nfs/dbraw/zinc/40/60/42/598406042.db2.gz LVZWZLMBGOHFLX-UHFFFAOYSA-N -1 3 382.493 3.055 20 0 GGADHM Cc1ccccc1C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000737422203 598406044 /nfs/dbraw/zinc/40/60/44/598406044.db2.gz LVZWZLMBGOHFLX-UHFFFAOYSA-N -1 3 382.493 3.055 20 0 GGADHM COc1ccc(OC(C)C)c(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737109379 598408701 /nfs/dbraw/zinc/40/87/01/598408701.db2.gz PDOJKGNUZWNGFO-ZDUSSCGKSA-N -1 3 396.451 3.102 20 0 GGADHM COc1ccc(OC(C)C)c(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737109379 598408703 /nfs/dbraw/zinc/40/87/03/598408703.db2.gz PDOJKGNUZWNGFO-ZDUSSCGKSA-N -1 3 396.451 3.102 20 0 GGADHM COc1ccc(OC(C)C)c(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737109378 598408850 /nfs/dbraw/zinc/40/88/50/598408850.db2.gz PDOJKGNUZWNGFO-CYBMUJFWSA-N -1 3 396.451 3.102 20 0 GGADHM COc1ccc(OC(C)C)c(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737109378 598408852 /nfs/dbraw/zinc/40/88/52/598408852.db2.gz PDOJKGNUZWNGFO-CYBMUJFWSA-N -1 3 396.451 3.102 20 0 GGADHM C[C@H](OC(=O)CC1=CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736147625 598410281 /nfs/dbraw/zinc/41/02/81/598410281.db2.gz DGCKRRLLKNAMBC-NSHDSACASA-N -1 3 389.843 3.281 20 0 GGADHM C[C@H](OC(=O)CC1=CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736147625 598410282 /nfs/dbraw/zinc/41/02/82/598410282.db2.gz DGCKRRLLKNAMBC-NSHDSACASA-N -1 3 389.843 3.281 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000735838033 598411005 /nfs/dbraw/zinc/41/10/05/598411005.db2.gz MWWTXLFRNJRFGC-UHFFFAOYSA-N -1 3 396.447 3.066 20 0 GGADHM CC(C)COc1ccc(CC(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000735838033 598411007 /nfs/dbraw/zinc/41/10/07/598411007.db2.gz MWWTXLFRNJRFGC-UHFFFAOYSA-N -1 3 396.447 3.066 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000589093065 598413592 /nfs/dbraw/zinc/41/35/92/598413592.db2.gz ZKPKAJDVWYPFKF-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000589093065 598413594 /nfs/dbraw/zinc/41/35/94/598413594.db2.gz ZKPKAJDVWYPFKF-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000736104278 598415125 /nfs/dbraw/zinc/41/51/25/598415125.db2.gz GFDLOHQYTPCCRH-AWEZNQCLSA-N -1 3 376.464 3.035 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000736625594 598418817 /nfs/dbraw/zinc/41/88/17/598418817.db2.gz CXUGGVWZKXSQMA-IAGOWNOFSA-N -1 3 393.447 3.041 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000736625594 598418818 /nfs/dbraw/zinc/41/88/18/598418818.db2.gz CXUGGVWZKXSQMA-IAGOWNOFSA-N -1 3 393.447 3.041 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000736625596 598419040 /nfs/dbraw/zinc/41/90/40/598419040.db2.gz CXUGGVWZKXSQMA-IRXDYDNUSA-N -1 3 393.447 3.041 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000736625596 598419042 /nfs/dbraw/zinc/41/90/42/598419042.db2.gz CXUGGVWZKXSQMA-IRXDYDNUSA-N -1 3 393.447 3.041 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000736772741 598419527 /nfs/dbraw/zinc/41/95/27/598419527.db2.gz HCXQGZZRHQLSMI-CABCVRRESA-N -1 3 382.855 3.328 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000736772741 598419529 /nfs/dbraw/zinc/41/95/29/598419529.db2.gz HCXQGZZRHQLSMI-CABCVRRESA-N -1 3 382.855 3.328 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000736194005 598419744 /nfs/dbraw/zinc/41/97/44/598419744.db2.gz WMAMCKLGTIHZRX-LBPRGKRZSA-N -1 3 391.460 3.376 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000736194005 598419745 /nfs/dbraw/zinc/41/97/45/598419745.db2.gz WMAMCKLGTIHZRX-LBPRGKRZSA-N -1 3 391.460 3.376 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000727120839 598420552 /nfs/dbraw/zinc/42/05/52/598420552.db2.gz MMOYLFAYJWJLLK-MRXNPFEDSA-N -1 3 394.435 3.071 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000727120839 598420554 /nfs/dbraw/zinc/42/05/54/598420554.db2.gz MMOYLFAYJWJLLK-MRXNPFEDSA-N -1 3 394.435 3.071 20 0 GGADHM CN(C(=O)CCc1cc(Br)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736733580 598420726 /nfs/dbraw/zinc/42/07/26/598420726.db2.gz VMLJTOZATZLUJC-UHFFFAOYSA-N -1 3 392.282 3.286 20 0 GGADHM CN(C(=O)CCc1cc(Br)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736733580 598420729 /nfs/dbraw/zinc/42/07/29/598420729.db2.gz VMLJTOZATZLUJC-UHFFFAOYSA-N -1 3 392.282 3.286 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCOc1cc(C)cc(C)c1C ZINC000737059224 598421087 /nfs/dbraw/zinc/42/10/87/598421087.db2.gz SKOFQTLRUNZZMU-UHFFFAOYSA-N -1 3 381.436 3.208 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1cc(C)cc(C)c1C ZINC000737059224 598421088 /nfs/dbraw/zinc/42/10/88/598421088.db2.gz SKOFQTLRUNZZMU-UHFFFAOYSA-N -1 3 381.436 3.208 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737153048 598421474 /nfs/dbraw/zinc/42/14/74/598421474.db2.gz OTQZQUUOPKGVMC-CYBMUJFWSA-N -1 3 383.427 3.246 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737153048 598421476 /nfs/dbraw/zinc/42/14/76/598421476.db2.gz OTQZQUUOPKGVMC-CYBMUJFWSA-N -1 3 383.427 3.246 20 0 GGADHM Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)c(-c2nnn[n-]2)c(C)c1C ZINC000737484698 598421861 /nfs/dbraw/zinc/42/18/61/598421861.db2.gz WDYBKIGCZRFDLA-AWEZNQCLSA-N -1 3 382.493 3.156 20 0 GGADHM Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)c(-c2nn[n-]n2)c(C)c1C ZINC000737484698 598421863 /nfs/dbraw/zinc/42/18/63/598421863.db2.gz WDYBKIGCZRFDLA-AWEZNQCLSA-N -1 3 382.493 3.156 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737854356 598422038 /nfs/dbraw/zinc/42/20/38/598422038.db2.gz YLIYNJIQLXFHJC-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737854356 598422040 /nfs/dbraw/zinc/42/20/40/598422040.db2.gz YLIYNJIQLXFHJC-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OCc1cccs1 ZINC000738115439 598422102 /nfs/dbraw/zinc/42/21/02/598422102.db2.gz ANWLFFPOHYVRQI-UHFFFAOYSA-N -1 3 391.456 3.437 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OCc1cccs1 ZINC000738115439 598422104 /nfs/dbraw/zinc/42/21/04/598422104.db2.gz ANWLFFPOHYVRQI-UHFFFAOYSA-N -1 3 391.456 3.437 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1N(C)C ZINC000735874136 598425346 /nfs/dbraw/zinc/42/53/46/598425346.db2.gz NCOUZDCKXNANOX-UHFFFAOYSA-N -1 3 379.468 3.375 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1N(C)C ZINC000735874136 598425348 /nfs/dbraw/zinc/42/53/48/598425348.db2.gz NCOUZDCKXNANOX-UHFFFAOYSA-N -1 3 379.468 3.375 20 0 GGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000736138682 598425751 /nfs/dbraw/zinc/42/57/51/598425751.db2.gz NTLXXCGJYSYZCV-CYBMUJFWSA-N -1 3 382.443 3.140 20 0 GGADHM CC[C@@](C)(O)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736317676 598426142 /nfs/dbraw/zinc/42/61/42/598426142.db2.gz YOEBXSYXOXPBRT-HXUWFJFHSA-N -1 3 396.451 3.250 20 0 GGADHM CC[C@@](C)(O)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736317676 598426144 /nfs/dbraw/zinc/42/61/44/598426144.db2.gz YOEBXSYXOXPBRT-HXUWFJFHSA-N -1 3 396.451 3.250 20 0 GGADHM O=C(Nc1ccc(SC(F)F)nc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823356385 607354818 /nfs/dbraw/zinc/35/48/18/607354818.db2.gz LEJVNDZSSLXHGR-UHFFFAOYSA-N -1 3 384.318 3.107 20 0 GGADHM COc1ccc(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737102874 598428842 /nfs/dbraw/zinc/42/88/42/598428842.db2.gz DJVWNPAHLQSDKA-UHFFFAOYSA-N -1 3 398.492 3.239 20 0 GGADHM COc1ccc(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737102874 598428848 /nfs/dbraw/zinc/42/88/48/598428848.db2.gz DJVWNPAHLQSDKA-UHFFFAOYSA-N -1 3 398.492 3.239 20 0 GGADHM O=C(Nc1ccc(SC(F)F)nc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823356385 607354819 /nfs/dbraw/zinc/35/48/19/607354819.db2.gz LEJVNDZSSLXHGR-UHFFFAOYSA-N -1 3 384.318 3.107 20 0 GGADHM Cc1cc(C)cc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737252444 598429315 /nfs/dbraw/zinc/42/93/15/598429315.db2.gz HVEFTOZWISGKAL-LBPRGKRZSA-N -1 3 391.884 3.176 20 0 GGADHM Cc1cc(C)cc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737252444 598429317 /nfs/dbraw/zinc/42/93/17/598429317.db2.gz HVEFTOZWISGKAL-LBPRGKRZSA-N -1 3 391.884 3.176 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000735875248 598429366 /nfs/dbraw/zinc/42/93/66/598429366.db2.gz QGGCMBRMEMOIOO-RTBURBONSA-N -1 3 394.454 3.482 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000735875248 598429368 /nfs/dbraw/zinc/42/93/68/598429368.db2.gz QGGCMBRMEMOIOO-RTBURBONSA-N -1 3 394.454 3.482 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@H](c2ccccc2F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115429 598429950 /nfs/dbraw/zinc/42/99/50/598429950.db2.gz XXHCVDAYYUKXOI-CJNGLKHVSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@H](c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115429 598429952 /nfs/dbraw/zinc/42/99/52/598429952.db2.gz XXHCVDAYYUKXOI-CJNGLKHVSA-N -1 3 380.427 3.266 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000736637915 598431327 /nfs/dbraw/zinc/43/13/27/598431327.db2.gz UVSIVIYHEIFIFU-UHFFFAOYSA-N -1 3 384.465 3.307 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000736637915 598431328 /nfs/dbraw/zinc/43/13/28/598431328.db2.gz UVSIVIYHEIFIFU-UHFFFAOYSA-N -1 3 384.465 3.307 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737151448 598431868 /nfs/dbraw/zinc/43/18/68/598431868.db2.gz CNZRDYNRFCGJSX-OAHLLOKOSA-N -1 3 396.447 3.066 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737151448 598431870 /nfs/dbraw/zinc/43/18/70/598431870.db2.gz CNZRDYNRFCGJSX-OAHLLOKOSA-N -1 3 396.447 3.066 20 0 GGADHM CC(C)c1ccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cc1 ZINC000735929443 598432159 /nfs/dbraw/zinc/43/21/59/598432159.db2.gz ZGCROQQJXSQBFK-UHFFFAOYSA-N -1 3 388.435 3.010 20 0 GGADHM CC(C)c1ccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cc1 ZINC000735929443 598432161 /nfs/dbraw/zinc/43/21/61/598432161.db2.gz ZGCROQQJXSQBFK-UHFFFAOYSA-N -1 3 388.435 3.010 20 0 GGADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000737775847 598433618 /nfs/dbraw/zinc/43/36/18/598433618.db2.gz GGFKYZLHNISFFJ-UHFFFAOYSA-N -1 3 396.414 3.040 20 0 GGADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000737775847 598433620 /nfs/dbraw/zinc/43/36/20/598433620.db2.gz GGFKYZLHNISFFJ-UHFFFAOYSA-N -1 3 396.414 3.040 20 0 GGADHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738144808 598435855 /nfs/dbraw/zinc/43/58/55/598435855.db2.gz NQEIISFZPCZLSU-UHFFFAOYSA-N -1 3 382.387 3.057 20 0 GGADHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738144808 598435856 /nfs/dbraw/zinc/43/58/56/598435856.db2.gz NQEIISFZPCZLSU-UHFFFAOYSA-N -1 3 382.387 3.057 20 0 GGADHM Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737400538 598436761 /nfs/dbraw/zinc/43/67/61/598436761.db2.gz VJPMWSLBUAGNGZ-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737400538 598436762 /nfs/dbraw/zinc/43/67/62/598436762.db2.gz VJPMWSLBUAGNGZ-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738212634 598437729 /nfs/dbraw/zinc/43/77/29/598437729.db2.gz SEWUOUUKJYEUQE-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738212634 598437731 /nfs/dbraw/zinc/43/77/31/598437731.db2.gz SEWUOUUKJYEUQE-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM Clc1cc2c(cc1SCCOc1ccc(-c3nn[n-]n3)cc1)OCCO2 ZINC000737565029 598439983 /nfs/dbraw/zinc/43/99/83/598439983.db2.gz MLLILEAVCYQEND-UHFFFAOYSA-N -1 3 390.852 3.462 20 0 GGADHM O=C(CSC[C@H]1CCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737932794 598441565 /nfs/dbraw/zinc/44/15/65/598441565.db2.gz QAVZPUFBTWGAQI-LLVKDONJSA-N -1 3 393.538 3.048 20 0 GGADHM O=C(CSC[C@H]1CCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737932794 598441566 /nfs/dbraw/zinc/44/15/66/598441566.db2.gz QAVZPUFBTWGAQI-LLVKDONJSA-N -1 3 393.538 3.048 20 0 GGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735733894 598442316 /nfs/dbraw/zinc/44/23/16/598442316.db2.gz CTROSCMCRBSYQU-GOSISDBHSA-N -1 3 381.505 3.441 20 0 GGADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735733894 598442318 /nfs/dbraw/zinc/44/23/18/598442318.db2.gz CTROSCMCRBSYQU-GOSISDBHSA-N -1 3 381.505 3.441 20 0 GGADHM CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736732076 598444276 /nfs/dbraw/zinc/44/42/76/598444276.db2.gz JPPXNKOQOXDSLA-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736732076 598444277 /nfs/dbraw/zinc/44/42/77/598444277.db2.gz JPPXNKOQOXDSLA-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM Cc1cccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)CCCCC2)c1 ZINC000737391126 598446037 /nfs/dbraw/zinc/44/60/37/598446037.db2.gz YOWZMHAGYCMQLN-UHFFFAOYSA-N -1 3 376.464 3.202 20 0 GGADHM Cc1cccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)CCCCC2)c1 ZINC000737391126 598446039 /nfs/dbraw/zinc/44/60/39/598446039.db2.gz YOWZMHAGYCMQLN-UHFFFAOYSA-N -1 3 376.464 3.202 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000737453140 598446216 /nfs/dbraw/zinc/44/62/16/598446216.db2.gz MTKNUBVKQXXCBX-UHFFFAOYSA-N -1 3 395.473 3.430 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000737453140 598446217 /nfs/dbraw/zinc/44/62/17/598446217.db2.gz MTKNUBVKQXXCBX-UHFFFAOYSA-N -1 3 395.473 3.430 20 0 GGADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738041284 598448203 /nfs/dbraw/zinc/44/82/03/598448203.db2.gz XZTULNTWYJUVNF-UHFFFAOYSA-N -1 3 387.365 3.347 20 0 GGADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738041284 598448206 /nfs/dbraw/zinc/44/82/06/598448206.db2.gz XZTULNTWYJUVNF-UHFFFAOYSA-N -1 3 387.365 3.347 20 0 GGADHM O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738000261 598448958 /nfs/dbraw/zinc/44/89/58/598448958.db2.gz ZDVVUKLFNLCSMF-INIZCTEOSA-N -1 3 396.863 3.496 20 0 GGADHM O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738000261 598448960 /nfs/dbraw/zinc/44/89/60/598448960.db2.gz ZDVVUKLFNLCSMF-INIZCTEOSA-N -1 3 396.863 3.496 20 0 GGADHM CC(C)(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735671977 598450161 /nfs/dbraw/zinc/45/01/61/598450161.db2.gz YEFJNDJMJCBZMB-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM CC(C)(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735671977 598450163 /nfs/dbraw/zinc/45/01/63/598450163.db2.gz YEFJNDJMJCBZMB-UHFFFAOYSA-N -1 3 389.381 3.480 20 0 GGADHM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738173209 598452051 /nfs/dbraw/zinc/45/20/51/598452051.db2.gz DJLSYLDKJTVJRX-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738173209 598452053 /nfs/dbraw/zinc/45/20/53/598452053.db2.gz DJLSYLDKJTVJRX-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1F)c1ccccc1F ZINC000738260846 598455073 /nfs/dbraw/zinc/45/50/73/598455073.db2.gz GYIWFXKMLLQHPR-UHFFFAOYSA-N -1 3 392.369 3.387 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1F)c1ccccc1F ZINC000738260846 598455074 /nfs/dbraw/zinc/45/50/74/598455074.db2.gz GYIWFXKMLLQHPR-UHFFFAOYSA-N -1 3 392.369 3.387 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC000737246441 598457698 /nfs/dbraw/zinc/45/76/98/598457698.db2.gz UPHTZMIQFZTKMX-HNNXBMFYSA-N -1 3 388.834 3.249 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC000737246441 598457700 /nfs/dbraw/zinc/45/77/00/598457700.db2.gz UPHTZMIQFZTKMX-HNNXBMFYSA-N -1 3 388.834 3.249 20 0 GGADHM CC[C@H](C)[C@@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825052160 607357325 /nfs/dbraw/zinc/35/73/25/607357325.db2.gz VKTDHXCAEDRGIS-IFXJQAMLSA-N -1 3 378.432 3.423 20 0 GGADHM CC[C@H](C)[C@@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825052160 607357326 /nfs/dbraw/zinc/35/73/26/607357326.db2.gz VKTDHXCAEDRGIS-IFXJQAMLSA-N -1 3 378.432 3.423 20 0 GGADHM Fc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)CCO2)cc1Cl ZINC000737647490 598461590 /nfs/dbraw/zinc/46/15/90/598461590.db2.gz FGMKZBPYGXIHPV-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM Fc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)CCO2)cc1Cl ZINC000737647490 598461592 /nfs/dbraw/zinc/46/15/92/598461592.db2.gz FGMKZBPYGXIHPV-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM COc1ccc(-c2nc(CNCc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000737058537 598465528 /nfs/dbraw/zinc/46/55/28/598465528.db2.gz YPBHLLPSOBCPCJ-UHFFFAOYSA-N -1 3 378.461 3.289 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000738178964 598472573 /nfs/dbraw/zinc/47/25/73/598472573.db2.gz OLEYLMPGCJOYLT-HNNXBMFYSA-N -1 3 398.398 3.208 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000738178964 598472575 /nfs/dbraw/zinc/47/25/75/598472575.db2.gz OLEYLMPGCJOYLT-HNNXBMFYSA-N -1 3 398.398 3.208 20 0 GGADHM Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737561417 598473214 /nfs/dbraw/zinc/47/32/14/598473214.db2.gz IBBPTCVXYBMWOU-UHFFFAOYSA-N -1 3 399.476 3.497 20 0 GGADHM Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737561417 598473216 /nfs/dbraw/zinc/47/32/16/598473216.db2.gz IBBPTCVXYBMWOU-UHFFFAOYSA-N -1 3 399.476 3.497 20 0 GGADHM CCCCc1nnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000736466482 598474430 /nfs/dbraw/zinc/47/44/30/598474430.db2.gz KLUTUSKGIQFYSQ-UHFFFAOYSA-N -1 3 398.496 3.257 20 0 GGADHM CCCCc1nnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000736466482 598474431 /nfs/dbraw/zinc/47/44/31/598474431.db2.gz KLUTUSKGIQFYSQ-UHFFFAOYSA-N -1 3 398.496 3.257 20 0 GGADHM COc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc(OC)c1 ZINC000737053648 598475031 /nfs/dbraw/zinc/47/50/31/598475031.db2.gz JQXUHGIOLPQHKG-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM COc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc(OC)c1 ZINC000737053648 598475032 /nfs/dbraw/zinc/47/50/32/598475032.db2.gz JQXUHGIOLPQHKG-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(OC)c1 ZINC000737105203 598475215 /nfs/dbraw/zinc/47/52/15/598475215.db2.gz WSNIJXOTBFILCV-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(OC)c1 ZINC000737105203 598475217 /nfs/dbraw/zinc/47/52/17/598475217.db2.gz WSNIJXOTBFILCV-UHFFFAOYSA-N -1 3 394.435 3.080 20 0 GGADHM COc1ccccc1C(C)=CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737143647 598475269 /nfs/dbraw/zinc/47/52/69/598475269.db2.gz YETJWCBKRCIHTD-PFONDFGASA-N -1 3 394.431 3.291 20 0 GGADHM CC(C)Oc1ccc(F)cc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735915908 598475757 /nfs/dbraw/zinc/47/57/57/598475757.db2.gz VOOHBPQJDDLZEA-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM CC(C)Oc1ccc(F)cc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735915908 598475759 /nfs/dbraw/zinc/47/57/59/598475759.db2.gz VOOHBPQJDDLZEA-UHFFFAOYSA-N -1 3 384.415 3.457 20 0 GGADHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000737503859 598476066 /nfs/dbraw/zinc/47/60/66/598476066.db2.gz MOUDQMXBISGOCV-UHFFFAOYSA-N -1 3 399.414 3.199 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)CCc1ccccc1 ZINC000737062703 598476422 /nfs/dbraw/zinc/47/64/22/598476422.db2.gz LLYYTABKKKJDOR-UHFFFAOYSA-N -1 3 380.452 3.408 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)CCc1ccccc1 ZINC000737062703 598476424 /nfs/dbraw/zinc/47/64/24/598476424.db2.gz LLYYTABKKKJDOR-UHFFFAOYSA-N -1 3 380.452 3.408 20 0 GGADHM COc1cc(C)ccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737041500 598476483 /nfs/dbraw/zinc/47/64/83/598476483.db2.gz VOHYIKWBJMFMLI-UHFFFAOYSA-N -1 3 378.436 3.380 20 0 GGADHM COc1cc(C)ccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737041500 598476484 /nfs/dbraw/zinc/47/64/84/598476484.db2.gz VOHYIKWBJMFMLI-UHFFFAOYSA-N -1 3 378.436 3.380 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000736279393 598476658 /nfs/dbraw/zinc/47/66/58/598476658.db2.gz KSFBAHFJTIITHL-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000736279393 598476661 /nfs/dbraw/zinc/47/66/61/598476661.db2.gz KSFBAHFJTIITHL-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000736240509 598477685 /nfs/dbraw/zinc/47/76/85/598477685.db2.gz VFVXORMNZDGEDM-FZKQIMNGSA-N -1 3 392.463 3.457 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000736240509 598477687 /nfs/dbraw/zinc/47/76/87/598477687.db2.gz VFVXORMNZDGEDM-FZKQIMNGSA-N -1 3 392.463 3.457 20 0 GGADHM C[C@H](CCc1ccco1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735993499 598477821 /nfs/dbraw/zinc/47/78/21/598477821.db2.gz SSQQAYDCKXTQSP-CQSZACIVSA-N -1 3 380.452 3.155 20 0 GGADHM C[C@H](CCc1ccco1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735993499 598477823 /nfs/dbraw/zinc/47/78/23/598477823.db2.gz SSQQAYDCKXTQSP-CQSZACIVSA-N -1 3 380.452 3.155 20 0 GGADHM O=C(N[C@H]1CCCc2occc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738027292 598478807 /nfs/dbraw/zinc/47/88/07/598478807.db2.gz ZBHSNWWOYGPPQJ-KRWDZBQOSA-N -1 3 378.436 3.211 20 0 GGADHM O=C(N[C@H]1CCCc2occc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738027292 598478809 /nfs/dbraw/zinc/47/88/09/598478809.db2.gz ZBHSNWWOYGPPQJ-KRWDZBQOSA-N -1 3 378.436 3.211 20 0 GGADHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000737072095 598484819 /nfs/dbraw/zinc/48/48/19/598484819.db2.gz PKRVRAHQQWTFGC-JTQLQIEISA-N -1 3 390.346 3.395 20 0 GGADHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000737072095 598484821 /nfs/dbraw/zinc/48/48/21/598484821.db2.gz PKRVRAHQQWTFGC-JTQLQIEISA-N -1 3 390.346 3.395 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCCOc1ccccc1F ZINC000735660221 598486134 /nfs/dbraw/zinc/48/61/34/598486134.db2.gz JXGVVXJQSFYQTO-UHFFFAOYSA-N -1 3 386.431 3.360 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCCOc1ccccc1F ZINC000735660221 598486136 /nfs/dbraw/zinc/48/61/36/598486136.db2.gz JXGVVXJQSFYQTO-UHFFFAOYSA-N -1 3 386.431 3.360 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736177787 598486480 /nfs/dbraw/zinc/48/64/80/598486480.db2.gz UZKSSRSJBSWXRJ-ZDUSSCGKSA-N -1 3 394.479 3.318 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736177787 598486481 /nfs/dbraw/zinc/48/64/81/598486481.db2.gz UZKSSRSJBSWXRJ-ZDUSSCGKSA-N -1 3 394.479 3.318 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162081 598487508 /nfs/dbraw/zinc/48/75/08/598487508.db2.gz GFHGKPKMSMYPQT-KUHUBIRLSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162081 598487510 /nfs/dbraw/zinc/48/75/10/598487510.db2.gz GFHGKPKMSMYPQT-KUHUBIRLSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@H](OC(=O)COc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154684 598487694 /nfs/dbraw/zinc/48/76/94/598487694.db2.gz AAESXSUCFGXCCC-JTQLQIEISA-N -1 3 376.775 3.342 20 0 GGADHM C[C@H](OC(=O)COc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154684 598487695 /nfs/dbraw/zinc/48/76/95/598487695.db2.gz AAESXSUCFGXCCC-JTQLQIEISA-N -1 3 376.775 3.342 20 0 GGADHM C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156751 598487814 /nfs/dbraw/zinc/48/78/14/598487814.db2.gz FBUWOYIAOGTRQY-GFCCVEGCSA-N -1 3 377.404 3.133 20 0 GGADHM C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156751 598487816 /nfs/dbraw/zinc/48/78/16/598487816.db2.gz FBUWOYIAOGTRQY-GFCCVEGCSA-N -1 3 377.404 3.133 20 0 GGADHM COc1ccc(Cl)cc1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737096650 598488797 /nfs/dbraw/zinc/48/87/97/598488797.db2.gz DFPGFKVACNTTOV-UHFFFAOYSA-N -1 3 388.859 3.266 20 0 GGADHM COc1ccc(Cl)cc1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737096650 598488799 /nfs/dbraw/zinc/48/87/99/598488799.db2.gz DFPGFKVACNTTOV-UHFFFAOYSA-N -1 3 388.859 3.266 20 0 GGADHM CC(=O)N[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000735475546 598490105 /nfs/dbraw/zinc/49/01/05/598490105.db2.gz RGJOTOSJIGNCKA-IFXJQAMLSA-N -1 3 393.447 3.047 20 0 GGADHM CC(=O)N[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000735475546 598490107 /nfs/dbraw/zinc/49/01/07/598490107.db2.gz RGJOTOSJIGNCKA-IFXJQAMLSA-N -1 3 393.447 3.047 20 0 GGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000737082710 598490677 /nfs/dbraw/zinc/49/06/77/598490677.db2.gz YLRPLQRMZWZHEA-KJJQSCHISA-N -1 3 380.404 3.202 20 0 GGADHM COc1ccc(C=CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000737082710 598490679 /nfs/dbraw/zinc/49/06/79/598490679.db2.gz YLRPLQRMZWZHEA-KJJQSCHISA-N -1 3 380.404 3.202 20 0 GGADHM COc1cc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCCC2)ccc1C ZINC000600200007 598493158 /nfs/dbraw/zinc/49/31/58/598493158.db2.gz GKIOUTDWDBJOOT-UHFFFAOYSA-N -1 3 391.475 3.312 20 0 GGADHM COc1cc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCCC2)ccc1C ZINC000600200007 598493159 /nfs/dbraw/zinc/49/31/59/598493159.db2.gz GKIOUTDWDBJOOT-UHFFFAOYSA-N -1 3 391.475 3.312 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000737196664 598495079 /nfs/dbraw/zinc/49/50/79/598495079.db2.gz WYPNYVZYGOYEBI-HDJSIYSDSA-N -1 3 381.436 3.347 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000737196664 598495080 /nfs/dbraw/zinc/49/50/80/598495080.db2.gz WYPNYVZYGOYEBI-HDJSIYSDSA-N -1 3 381.436 3.347 20 0 GGADHM O=C(Cc1cccc(Cl)c1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737969201 598495309 /nfs/dbraw/zinc/49/53/09/598495309.db2.gz OVPKNVKFGXVGCI-UHFFFAOYSA-N -1 3 387.896 3.112 20 0 GGADHM O=C(Cc1cccc(Cl)c1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737969201 598495310 /nfs/dbraw/zinc/49/53/10/598495310.db2.gz OVPKNVKFGXVGCI-UHFFFAOYSA-N -1 3 387.896 3.112 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCC1CCC(c2ccccc2)CC1 ZINC000737921431 598495546 /nfs/dbraw/zinc/49/55/46/598495546.db2.gz WYXKKXHQCKAIOT-UHFFFAOYSA-N -1 3 391.475 3.336 20 0 GGADHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736131818 598510408 /nfs/dbraw/zinc/51/04/08/598510408.db2.gz SHKMXLKFKAYNFC-LBPRGKRZSA-N -1 3 399.501 3.262 20 0 GGADHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736131818 598510409 /nfs/dbraw/zinc/51/04/09/598510409.db2.gz SHKMXLKFKAYNFC-LBPRGKRZSA-N -1 3 399.501 3.262 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(NC(C)=O)c2)c1-c1nnn[n-]1 ZINC000736676267 598514181 /nfs/dbraw/zinc/51/41/81/598514181.db2.gz QEKAPHCEAQZQBR-UHFFFAOYSA-N -1 3 388.428 3.149 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(NC(C)=O)c2)c1-c1nn[n-]n1 ZINC000736676267 598514182 /nfs/dbraw/zinc/51/41/82/598514182.db2.gz QEKAPHCEAQZQBR-UHFFFAOYSA-N -1 3 388.428 3.149 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000736671212 598516727 /nfs/dbraw/zinc/51/67/27/598516727.db2.gz UPKLQSBBZHDUGC-SECBINFHSA-N -1 3 375.429 3.344 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000736671212 598516728 /nfs/dbraw/zinc/51/67/28/598516728.db2.gz UPKLQSBBZHDUGC-SECBINFHSA-N -1 3 375.429 3.344 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)c1-c1nnn[n-]1 ZINC000736675196 598517480 /nfs/dbraw/zinc/51/74/80/598517480.db2.gz GFDZGVWPYUAOEY-UHFFFAOYSA-N -1 3 396.480 3.377 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)c1-c1nn[n-]n1 ZINC000736675196 598517482 /nfs/dbraw/zinc/51/74/82/598517482.db2.gz GFDZGVWPYUAOEY-UHFFFAOYSA-N -1 3 396.480 3.377 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cc(C)nc3onc(C)c32)c1-c1nnn[n-]1 ZINC000736675324 598517728 /nfs/dbraw/zinc/51/77/28/598517728.db2.gz KOEHLCGUIAAKKR-UHFFFAOYSA-N -1 3 383.437 3.204 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cc(C)nc3onc(C)c32)c1-c1nn[n-]n1 ZINC000736675324 598517730 /nfs/dbraw/zinc/51/77/30/598517730.db2.gz KOEHLCGUIAAKKR-UHFFFAOYSA-N -1 3 383.437 3.204 20 0 GGADHM Cc1cc(N2CCC[C@H](c3ncc[nH]3)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270172 598523254 /nfs/dbraw/zinc/52/32/54/598523254.db2.gz BSXLNIKGPWJHFT-AWEZNQCLSA-N -1 3 399.462 3.083 20 0 GGADHM Cc1cc(N2CCC[C@H](c3ncc[nH]3)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270172 598523256 /nfs/dbraw/zinc/52/32/56/598523256.db2.gz BSXLNIKGPWJHFT-AWEZNQCLSA-N -1 3 399.462 3.083 20 0 GGADHM CCC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736426450 598528328 /nfs/dbraw/zinc/52/83/28/598528328.db2.gz PPISKXPWNNWMEF-LJQANCHMSA-N -1 3 378.480 3.420 20 0 GGADHM CCC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736426450 598528330 /nfs/dbraw/zinc/52/83/30/598528330.db2.gz PPISKXPWNNWMEF-LJQANCHMSA-N -1 3 378.480 3.420 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCCc1ccccc1 ZINC000736813321 598529002 /nfs/dbraw/zinc/52/90/02/598529002.db2.gz JIVPAFDZZZABJX-UHFFFAOYSA-N -1 3 378.480 3.421 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCCc1ccccc1 ZINC000736813321 598529004 /nfs/dbraw/zinc/52/90/04/598529004.db2.gz JIVPAFDZZZABJX-UHFFFAOYSA-N -1 3 378.480 3.421 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000738252272 598532170 /nfs/dbraw/zinc/53/21/70/598532170.db2.gz YDSRTTXXQYYDAD-FQEVSTJZSA-N -1 3 384.395 3.443 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000738252272 598532171 /nfs/dbraw/zinc/53/21/71/598532171.db2.gz YDSRTTXXQYYDAD-FQEVSTJZSA-N -1 3 384.395 3.443 20 0 GGADHM Cc1csc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)n1 ZINC000737455360 598533270 /nfs/dbraw/zinc/53/32/70/598533270.db2.gz PGSCORDYKPVCRS-NSHDSACASA-N -1 3 387.469 3.302 20 0 GGADHM Cc1csc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)n1 ZINC000737455360 598533272 /nfs/dbraw/zinc/53/32/72/598533272.db2.gz PGSCORDYKPVCRS-NSHDSACASA-N -1 3 387.469 3.302 20 0 GGADHM CN1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc21 ZINC000736855525 598533492 /nfs/dbraw/zinc/53/34/92/598533492.db2.gz CWGZEUPKNYZMKD-UHFFFAOYSA-N -1 3 383.843 3.004 20 0 GGADHM CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc21 ZINC000736855525 598533495 /nfs/dbraw/zinc/53/34/95/598533495.db2.gz CWGZEUPKNYZMKD-UHFFFAOYSA-N -1 3 383.843 3.004 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c(-c2nnn[n-]2)c1C ZINC000737560619 598534764 /nfs/dbraw/zinc/53/47/64/598534764.db2.gz GLPUGVUFWBASBG-LBPRGKRZSA-N -1 3 375.841 3.141 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c(-c2nn[n-]n2)c1C ZINC000737560619 598534766 /nfs/dbraw/zinc/53/47/66/598534766.db2.gz GLPUGVUFWBASBG-LBPRGKRZSA-N -1 3 375.841 3.141 20 0 GGADHM CSCCc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737181163 598534912 /nfs/dbraw/zinc/53/49/12/598534912.db2.gz HXXGCXIOUAVDPG-UHFFFAOYSA-N -1 3 382.493 3.436 20 0 GGADHM CSCCc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737181163 598534913 /nfs/dbraw/zinc/53/49/13/598534913.db2.gz HXXGCXIOUAVDPG-UHFFFAOYSA-N -1 3 382.493 3.436 20 0 GGADHM O=C(CSc1cccc(Br)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737947921 598537784 /nfs/dbraw/zinc/53/77/84/598537784.db2.gz SQOZGJYRJKOLBH-UHFFFAOYSA-N -1 3 396.295 3.422 20 0 GGADHM O=C(CSc1cccc(Br)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737947921 598537786 /nfs/dbraw/zinc/53/77/86/598537786.db2.gz SQOZGJYRJKOLBH-UHFFFAOYSA-N -1 3 396.295 3.422 20 0 GGADHM CC(C)CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000735818263 598538342 /nfs/dbraw/zinc/53/83/42/598538342.db2.gz KZDHMSZOKFUYPW-UHFFFAOYSA-N -1 3 381.436 3.299 20 0 GGADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736254136 598538428 /nfs/dbraw/zinc/53/84/28/598538428.db2.gz PXJZBLRRLKVMSO-UKRRQHHQSA-N -1 3 381.436 3.347 20 0 GGADHM CCOC(=O)c1sc(NC(=O)Cc2cc(C)ccc2C)c(-c2nnn[n-]2)c1C ZINC000736604932 598538989 /nfs/dbraw/zinc/53/89/89/598538989.db2.gz ALDYEDQSPNOXIJ-UHFFFAOYSA-N -1 3 399.476 3.211 20 0 GGADHM CCOC(=O)c1sc(NC(=O)Cc2cc(C)ccc2C)c(-c2nn[n-]n2)c1C ZINC000736604932 598538991 /nfs/dbraw/zinc/53/89/91/598538991.db2.gz ALDYEDQSPNOXIJ-UHFFFAOYSA-N -1 3 399.476 3.211 20 0 GGADHM Cc1ccsc1CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737443313 598541205 /nfs/dbraw/zinc/54/12/05/598541205.db2.gz TVKVUHYAHCIVFW-UHFFFAOYSA-N -1 3 395.444 3.339 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000736170288 598541423 /nfs/dbraw/zinc/54/14/23/598541423.db2.gz SUVGVXDGCNQBEZ-VIFPVBQESA-N -1 3 395.316 3.431 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1CCOCC1 ZINC000737281455 598542945 /nfs/dbraw/zinc/54/29/45/598542945.db2.gz ZJWNKESFNXCAPF-UHFFFAOYSA-N -1 3 393.447 3.119 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1CCOCC1 ZINC000737281455 598542946 /nfs/dbraw/zinc/54/29/46/598542946.db2.gz ZJWNKESFNXCAPF-UHFFFAOYSA-N -1 3 393.447 3.119 20 0 GGADHM COc1cccc(C2(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737127614 598543721 /nfs/dbraw/zinc/54/37/21/598543721.db2.gz LYEYUERATZOXGT-UHFFFAOYSA-N -1 3 378.432 3.431 20 0 GGADHM COc1cccc(C2(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737127614 598543722 /nfs/dbraw/zinc/54/37/22/598543722.db2.gz LYEYUERATZOXGT-UHFFFAOYSA-N -1 3 378.432 3.431 20 0 GGADHM Cn1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(-c2ccccc2Cl)n1 ZINC000737604791 598543804 /nfs/dbraw/zinc/54/38/04/598543804.db2.gz KNKYDBDMPGYKQK-UHFFFAOYSA-N -1 3 394.822 3.278 20 0 GGADHM Cn1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(-c2ccccc2Cl)n1 ZINC000737604791 598543805 /nfs/dbraw/zinc/54/38/05/598543805.db2.gz KNKYDBDMPGYKQK-UHFFFAOYSA-N -1 3 394.822 3.278 20 0 GGADHM COc1cccc(C2(C(=O)OCc3ccccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737128082 598544013 /nfs/dbraw/zinc/54/40/13/598544013.db2.gz MFUKCXHTZQOQDX-UHFFFAOYSA-N -1 3 378.432 3.431 20 0 GGADHM COc1cccc(C2(C(=O)OCc3ccccc3-c3nn[n-]n3)CCCC2)c1 ZINC000737128082 598544014 /nfs/dbraw/zinc/54/40/14/598544014.db2.gz MFUKCXHTZQOQDX-UHFFFAOYSA-N -1 3 378.432 3.431 20 0 GGADHM O=C(CCc1cc(F)ccc1F)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737851013 598545886 /nfs/dbraw/zinc/54/58/86/598545886.db2.gz CZPZGJWOLWWVNY-UHFFFAOYSA-N -1 3 395.316 3.318 20 0 GGADHM O=C(CCc1cc(F)ccc1F)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737851013 598545888 /nfs/dbraw/zinc/54/58/88/598545888.db2.gz CZPZGJWOLWWVNY-UHFFFAOYSA-N -1 3 395.316 3.318 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000738139826 598545987 /nfs/dbraw/zinc/54/59/87/598545987.db2.gz QKTOOSFITXQRKH-QWHCGFSZSA-N -1 3 389.337 3.349 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000738139826 598545988 /nfs/dbraw/zinc/54/59/88/598545988.db2.gz QKTOOSFITXQRKH-QWHCGFSZSA-N -1 3 389.337 3.349 20 0 GGADHM CNC(=O)c1ccc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000736878398 598546432 /nfs/dbraw/zinc/54/64/32/598546432.db2.gz SGDWBJHSMOJYTO-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM CNC(=O)c1ccc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000736878398 598546434 /nfs/dbraw/zinc/54/64/34/598546434.db2.gz SGDWBJHSMOJYTO-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM CCOc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000736644427 598546640 /nfs/dbraw/zinc/54/66/40/598546640.db2.gz YJHILPXDUNRUKN-UHFFFAOYSA-N -1 3 389.362 3.048 20 0 GGADHM CCOc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000736644427 598546641 /nfs/dbraw/zinc/54/66/41/598546641.db2.gz YJHILPXDUNRUKN-UHFFFAOYSA-N -1 3 389.362 3.048 20 0 GGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737966828 598547366 /nfs/dbraw/zinc/54/73/66/598547366.db2.gz HRZSHSLOHXFKHV-UHFFFAOYSA-N -1 3 385.374 3.138 20 0 GGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737966828 598547368 /nfs/dbraw/zinc/54/73/68/598547368.db2.gz HRZSHSLOHXFKHV-UHFFFAOYSA-N -1 3 385.374 3.138 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736223495 598548236 /nfs/dbraw/zinc/54/82/36/598548236.db2.gz IVDJMEQJQAXZJF-KBPBESRZSA-N -1 3 381.436 3.157 20 0 GGADHM Cc1cc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c(C)n1Cc1ccco1 ZINC000737227421 598550187 /nfs/dbraw/zinc/55/01/87/598550187.db2.gz LMCFODOTQPDWIB-UHFFFAOYSA-N -1 3 395.394 3.327 20 0 GGADHM Cc1cc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c(C)n1Cc1ccco1 ZINC000737227421 598550189 /nfs/dbraw/zinc/55/01/89/598550189.db2.gz LMCFODOTQPDWIB-UHFFFAOYSA-N -1 3 395.394 3.327 20 0 GGADHM CCOC(=O)c1sc2ncnc(Oc3ccc(-c4nnn[n-]4)cc3C)c2c1C ZINC000736605467 598550856 /nfs/dbraw/zinc/55/08/56/598550856.db2.gz LTKLGEYFYFZHPA-UHFFFAOYSA-N -1 3 396.432 3.457 20 0 GGADHM CCOC(=O)c1sc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3C)c2c1C ZINC000736605467 598550858 /nfs/dbraw/zinc/55/08/58/598550858.db2.gz LTKLGEYFYFZHPA-UHFFFAOYSA-N -1 3 396.432 3.457 20 0 GGADHM O=C(NCc1ccco1)c1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000738123008 598550950 /nfs/dbraw/zinc/55/09/50/598550950.db2.gz CVDMVYUUXUBJMZ-UHFFFAOYSA-N -1 3 393.378 3.108 20 0 GGADHM O=C(NCc1ccco1)c1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000738123008 598550951 /nfs/dbraw/zinc/55/09/51/598550951.db2.gz CVDMVYUUXUBJMZ-UHFFFAOYSA-N -1 3 393.378 3.108 20 0 GGADHM CO[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000736962404 598551202 /nfs/dbraw/zinc/55/12/02/598551202.db2.gz OUWWNASCHCUULB-AWEZNQCLSA-N -1 3 395.488 3.269 20 0 GGADHM CO[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000736962404 598551203 /nfs/dbraw/zinc/55/12/03/598551203.db2.gz OUWWNASCHCUULB-AWEZNQCLSA-N -1 3 395.488 3.269 20 0 GGADHM Cc1nn(C)c(C)c1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737511480 598553245 /nfs/dbraw/zinc/55/32/45/598553245.db2.gz LOXWWSPMLRDDIV-UHFFFAOYSA-N -1 3 389.463 3.408 20 0 GGADHM Cc1nn(C)c(C)c1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737511480 598553247 /nfs/dbraw/zinc/55/32/47/598553247.db2.gz LOXWWSPMLRDDIV-UHFFFAOYSA-N -1 3 389.463 3.408 20 0 GGADHM Cc1cc(F)cc2c1N(C(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737265226 598553967 /nfs/dbraw/zinc/55/39/67/598553967.db2.gz ZOXDKEWYYBWVOW-ZDUSSCGKSA-N -1 3 381.411 3.061 20 0 GGADHM Cc1cc(C)n(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737256046 598555485 /nfs/dbraw/zinc/55/54/85/598555485.db2.gz KWEHRFWYIAUTJM-UHFFFAOYSA-N -1 3 389.419 3.111 20 0 GGADHM Cc1cc(C)n(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737256046 598555487 /nfs/dbraw/zinc/55/54/87/598555487.db2.gz KWEHRFWYIAUTJM-UHFFFAOYSA-N -1 3 389.419 3.111 20 0 GGADHM O=C(OCCc1ccccc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738221492 598558127 /nfs/dbraw/zinc/55/81/27/598558127.db2.gz JDSMSVRSHCLEMC-UHFFFAOYSA-N -1 3 390.399 3.438 20 0 GGADHM C[C@@H](Cc1cccs1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736065825 598558809 /nfs/dbraw/zinc/55/88/09/598558809.db2.gz GRAGZSQAMXUPIP-VIFPVBQESA-N -1 3 394.407 3.282 20 0 GGADHM C[C@@H](Cc1cccs1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736065825 598558811 /nfs/dbraw/zinc/55/88/11/598558811.db2.gz GRAGZSQAMXUPIP-VIFPVBQESA-N -1 3 394.407 3.282 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000736329790 598559571 /nfs/dbraw/zinc/55/95/71/598559571.db2.gz VGYAOLYGYJLDDZ-NSHDSACASA-N -1 3 376.413 3.287 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000736329790 598559572 /nfs/dbraw/zinc/55/95/72/598559572.db2.gz VGYAOLYGYJLDDZ-NSHDSACASA-N -1 3 376.413 3.287 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736249147 598561779 /nfs/dbraw/zinc/56/17/79/598561779.db2.gz JMFACLOKCVJEJY-GHMZBOCLSA-N -1 3 380.399 3.416 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736249147 598561780 /nfs/dbraw/zinc/56/17/80/598561780.db2.gz JMFACLOKCVJEJY-GHMZBOCLSA-N -1 3 380.399 3.416 20 0 GGADHM COC[C@@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736969213 598565754 /nfs/dbraw/zinc/56/57/54/598565754.db2.gz KRBXMSDUBJKQON-ZDUSSCGKSA-N -1 3 382.424 3.063 20 0 GGADHM COC[C@@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736969213 598565756 /nfs/dbraw/zinc/56/57/56/598565756.db2.gz KRBXMSDUBJKQON-ZDUSSCGKSA-N -1 3 382.424 3.063 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@@H]1CCC[C@@H](O)C1 ZINC000738173429 598566531 /nfs/dbraw/zinc/56/65/31/598566531.db2.gz QIHVIHGPRSRAOX-HZPDHXFCSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@@H]1CCC[C@@H](O)C1 ZINC000738173429 598566532 /nfs/dbraw/zinc/56/65/32/598566532.db2.gz QIHVIHGPRSRAOX-HZPDHXFCSA-N -1 3 394.435 3.084 20 0 GGADHM CC(=O)N1CCCCC[C@H]1C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735465242 598568251 /nfs/dbraw/zinc/56/82/51/598568251.db2.gz HNISIWCEMSYUKJ-KRWDZBQOSA-N -1 3 386.475 3.013 20 0 GGADHM CC(=O)N1CCCCC[C@H]1C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735465242 598568252 /nfs/dbraw/zinc/56/82/52/598568252.db2.gz HNISIWCEMSYUKJ-KRWDZBQOSA-N -1 3 386.475 3.013 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737355233 598570701 /nfs/dbraw/zinc/57/07/01/598570701.db2.gz CTBAQJCSNIYDAV-QGZVFWFLSA-N -1 3 382.855 3.436 20 0 GGADHM O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738165232 598571147 /nfs/dbraw/zinc/57/11/47/598571147.db2.gz HECHKLIQAINQLW-MRXNPFEDSA-N -1 3 386.818 3.267 20 0 GGADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000738191399 598573801 /nfs/dbraw/zinc/57/38/01/598573801.db2.gz IYHSLXLZCREPMD-UONOGXRCSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000738191399 598573802 /nfs/dbraw/zinc/57/38/02/598573802.db2.gz IYHSLXLZCREPMD-UONOGXRCSA-N -1 3 384.237 3.371 20 0 GGADHM CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736828651 598575861 /nfs/dbraw/zinc/57/58/61/598575861.db2.gz QAMPDMNVYKLFQE-GOSISDBHSA-N -1 3 396.882 3.148 20 0 GGADHM Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737377868 598576311 /nfs/dbraw/zinc/57/63/11/598576311.db2.gz RASGAOQPOFIIRC-HXUWFJFHSA-N -1 3 388.475 3.123 20 0 GGADHM O=C(Nc1cc(Cl)ccc1F)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738144214 598576984 /nfs/dbraw/zinc/57/69/84/598576984.db2.gz BFQSFCKURCMBPM-MRXNPFEDSA-N -1 3 386.818 3.267 20 0 GGADHM O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738112294 598577834 /nfs/dbraw/zinc/57/78/34/598577834.db2.gz ONUALRBOXOXSRI-OAQYLSRUSA-N -1 3 398.470 3.305 20 0 GGADHM CCOc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736648289 598578356 /nfs/dbraw/zinc/57/83/56/598578356.db2.gz ZEVUQVGPJBFLEN-KRWDZBQOSA-N -1 3 396.426 3.012 20 0 GGADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCCC2)CC1 ZINC000737793238 598579938 /nfs/dbraw/zinc/57/99/38/598579938.db2.gz WWOSURVBSQVWNO-IBGZPJMESA-N -1 3 394.523 3.408 20 0 GGADHM O=C(Nc1cc(F)ccc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738143847 598580484 /nfs/dbraw/zinc/58/04/84/598580484.db2.gz FKYHRNRAQWELSK-MRXNPFEDSA-N -1 3 386.818 3.267 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCOc2ccccc21 ZINC000735828924 598581586 /nfs/dbraw/zinc/58/15/86/598581586.db2.gz BYXDFZJNHMEURA-IBGZPJMESA-N -1 3 391.475 3.418 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCOc2ccccc21 ZINC000735828924 598581588 /nfs/dbraw/zinc/58/15/88/598581588.db2.gz BYXDFZJNHMEURA-IBGZPJMESA-N -1 3 391.475 3.418 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCCc2ccccc2C1=O ZINC000737948227 598583762 /nfs/dbraw/zinc/58/37/62/598583762.db2.gz QSCUESAPZGCEJJ-QGZVFWFLSA-N -1 3 394.456 3.090 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCCc2ccccc2C1=O ZINC000737948227 598583764 /nfs/dbraw/zinc/58/37/64/598583764.db2.gz QSCUESAPZGCEJJ-QGZVFWFLSA-N -1 3 394.456 3.090 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)nc1 ZINC000738166735 598584740 /nfs/dbraw/zinc/58/47/40/598584740.db2.gz MYZHLDRSPVZHTC-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)nc1 ZINC000738166735 598584742 /nfs/dbraw/zinc/58/47/42/598584742.db2.gz MYZHLDRSPVZHTC-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737343870 598584782 /nfs/dbraw/zinc/58/47/82/598584782.db2.gz WOLWUPSGLVVFJG-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737343870 598584784 /nfs/dbraw/zinc/58/47/84/598584784.db2.gz WOLWUPSGLVVFJG-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1cc(Br)ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737231729 598585342 /nfs/dbraw/zinc/58/53/42/598585342.db2.gz SMLGBXAJARAJOW-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1cc(Br)ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737231729 598585343 /nfs/dbraw/zinc/58/53/43/598585343.db2.gz SMLGBXAJARAJOW-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM O=C1[C@@H](Sc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCN1c1ccccc1 ZINC000738298881 598585484 /nfs/dbraw/zinc/58/54/84/598585484.db2.gz ZAEDCANJCVTPBQ-KRWDZBQOSA-N -1 3 392.488 3.038 20 0 GGADHM O=C1[C@@H](Sc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCN1c1ccccc1 ZINC000738298881 598585486 /nfs/dbraw/zinc/58/54/86/598585486.db2.gz ZAEDCANJCVTPBQ-KRWDZBQOSA-N -1 3 392.488 3.038 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2c1cccc2CC ZINC000736635917 598586112 /nfs/dbraw/zinc/58/61/12/598586112.db2.gz IUTQXKUCOKGWRX-UHFFFAOYSA-N -1 3 390.447 3.490 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2c1cccc2CC ZINC000736635917 598586114 /nfs/dbraw/zinc/58/61/14/598586114.db2.gz IUTQXKUCOKGWRX-UHFFFAOYSA-N -1 3 390.447 3.490 20 0 GGADHM CCc1cccc2c(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC)c[nH]c21 ZINC000736695286 598586346 /nfs/dbraw/zinc/58/63/46/598586346.db2.gz KLYFYRCPMHYMBH-UHFFFAOYSA-N -1 3 376.420 3.100 20 0 GGADHM CCc1cccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC)c[nH]c21 ZINC000736695286 598586348 /nfs/dbraw/zinc/58/63/48/598586348.db2.gz KLYFYRCPMHYMBH-UHFFFAOYSA-N -1 3 376.420 3.100 20 0 GGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000736843812 598586479 /nfs/dbraw/zinc/58/64/79/598586479.db2.gz PIXKYYGSYLYZFE-UHFFFAOYSA-N -1 3 389.394 3.421 20 0 GGADHM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000736843812 598586481 /nfs/dbraw/zinc/58/64/81/598586481.db2.gz PIXKYYGSYLYZFE-UHFFFAOYSA-N -1 3 389.394 3.421 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCc1cccc(F)c1 ZINC000735734650 598587279 /nfs/dbraw/zinc/58/72/79/598587279.db2.gz IUHMBGYHNRUHOC-IBGZPJMESA-N -1 3 397.454 3.158 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCc1cccc(F)c1 ZINC000735734650 598587280 /nfs/dbraw/zinc/58/72/80/598587280.db2.gz IUHMBGYHNRUHOC-IBGZPJMESA-N -1 3 397.454 3.158 20 0 GGADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737858169 598587969 /nfs/dbraw/zinc/58/79/69/598587969.db2.gz ZCNQVONKEVVLSQ-UHFFFAOYSA-N -1 3 377.326 3.179 20 0 GGADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737858169 598587970 /nfs/dbraw/zinc/58/79/70/598587970.db2.gz ZCNQVONKEVVLSQ-UHFFFAOYSA-N -1 3 377.326 3.179 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(Sc2ccccc2)CC1 ZINC000737799105 598588233 /nfs/dbraw/zinc/58/82/33/598588233.db2.gz JDANRBKFHYBQJK-ZHACJKMWSA-N -1 3 377.473 3.321 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(Sc2ccccc2)CC1 ZINC000737799105 598588235 /nfs/dbraw/zinc/58/82/35/598588235.db2.gz JDANRBKFHYBQJK-ZHACJKMWSA-N -1 3 377.473 3.321 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000738165701 598588604 /nfs/dbraw/zinc/58/86/04/598588604.db2.gz MDTKBIRIJPVKSB-UHFFFAOYSA-N -1 3 389.394 3.321 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000738165701 598588606 /nfs/dbraw/zinc/58/86/06/598588606.db2.gz MDTKBIRIJPVKSB-UHFFFAOYSA-N -1 3 389.394 3.321 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1noc(Cc2ccccc2)n1 ZINC000737640761 598596661 /nfs/dbraw/zinc/59/66/61/598596661.db2.gz PFVDZYLMYYOPIT-UHFFFAOYSA-N -1 3 382.424 3.413 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1noc(Cc2ccccc2)n1 ZINC000737640761 598596662 /nfs/dbraw/zinc/59/66/62/598596662.db2.gz PFVDZYLMYYOPIT-UHFFFAOYSA-N -1 3 382.424 3.413 20 0 GGADHM Cc1nc(SCC(=O)N2CCC[C@@H]2C2CCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000737484010 598598042 /nfs/dbraw/zinc/59/80/42/598598042.db2.gz RHGIESPOJNYPHB-OAHLLOKOSA-N -1 3 386.525 3.070 20 0 GGADHM Cc1nc(SCC(=O)N2CCC[C@@H]2C2CCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000737484010 598598044 /nfs/dbraw/zinc/59/80/44/598598044.db2.gz RHGIESPOJNYPHB-OAHLLOKOSA-N -1 3 386.525 3.070 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1Br ZINC000737072684 598598780 /nfs/dbraw/zinc/59/87/80/598598780.db2.gz VZIKNKZBPGBMCF-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1Br ZINC000737072684 598598781 /nfs/dbraw/zinc/59/87/81/598598781.db2.gz VZIKNKZBPGBMCF-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CCc1ccccc1F ZINC000736637143 598599021 /nfs/dbraw/zinc/59/90/21/598599021.db2.gz OZLOAFMIRNZXDD-UHFFFAOYSA-N -1 3 384.415 3.111 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CCc1ccccc1F ZINC000736637143 598599023 /nfs/dbraw/zinc/59/90/23/598599023.db2.gz OZLOAFMIRNZXDD-UHFFFAOYSA-N -1 3 384.415 3.111 20 0 GGADHM O=C(COC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000738220773 598599193 /nfs/dbraw/zinc/59/91/93/598599193.db2.gz UKGSXPAVOQVCBC-UHFFFAOYSA-N -1 3 380.429 3.154 20 0 GGADHM O=C(COC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000738220773 598599195 /nfs/dbraw/zinc/59/91/95/598599195.db2.gz UKGSXPAVOQVCBC-UHFFFAOYSA-N -1 3 380.429 3.154 20 0 GGADHM CC(C)N(C)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735859299 598600854 /nfs/dbraw/zinc/60/08/54/598600854.db2.gz QYIWFYGPKVZBDP-UHFFFAOYSA-N -1 3 383.431 3.172 20 0 GGADHM CC(C)N(C)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735859299 598600856 /nfs/dbraw/zinc/60/08/56/598600856.db2.gz QYIWFYGPKVZBDP-UHFFFAOYSA-N -1 3 383.431 3.172 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737047945 598603283 /nfs/dbraw/zinc/60/32/83/598603283.db2.gz VCGQOPADISSDFX-UHFFFAOYSA-N -1 3 390.806 3.027 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737047945 598603285 /nfs/dbraw/zinc/60/32/85/598603285.db2.gz VCGQOPADISSDFX-UHFFFAOYSA-N -1 3 390.806 3.027 20 0 GGADHM c1cc(-c2nc(-c3cccnc3)no2)oc1COc1ccccc1-c1nnn[n-]1 ZINC000738445130 598609030 /nfs/dbraw/zinc/60/90/30/598609030.db2.gz DRMRLCVRXYUZMX-UHFFFAOYSA-N -1 3 387.359 3.151 20 0 GGADHM c1cc(-c2nc(-c3cccnc3)no2)oc1COc1ccccc1-c1nn[n-]n1 ZINC000738445130 598609032 /nfs/dbraw/zinc/60/90/32/598609032.db2.gz DRMRLCVRXYUZMX-UHFFFAOYSA-N -1 3 387.359 3.151 20 0 GGADHM COc1cc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc(Cl)c1OC ZINC000737032965 598610833 /nfs/dbraw/zinc/61/08/33/598610833.db2.gz RPDPONQROPSMID-UHFFFAOYSA-N -1 3 384.783 3.254 20 0 GGADHM COc1cc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc(Cl)c1OC ZINC000737032965 598610834 /nfs/dbraw/zinc/61/08/34/598610834.db2.gz RPDPONQROPSMID-UHFFFAOYSA-N -1 3 384.783 3.254 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CC(c2ccccc2)C1 ZINC000735735625 598610965 /nfs/dbraw/zinc/61/09/65/598610965.db2.gz OOTNTYJHEZHLGN-UHYCVJNDSA-N -1 3 391.475 3.333 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CC(c2ccccc2)C1 ZINC000735735625 598610967 /nfs/dbraw/zinc/61/09/67/598610967.db2.gz OOTNTYJHEZHLGN-UHYCVJNDSA-N -1 3 391.475 3.333 20 0 GGADHM c1ccc(Oc2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cn4)n3)cn2)cc1 ZINC000738432533 598611545 /nfs/dbraw/zinc/61/15/45/598611545.db2.gz GWKXPSYKNBMPTP-UHFFFAOYSA-N -1 3 384.359 3.166 20 0 GGADHM c1ccc(Oc2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cn4)n3)cn2)cc1 ZINC000738432533 598611547 /nfs/dbraw/zinc/61/15/47/598611547.db2.gz GWKXPSYKNBMPTP-UHFFFAOYSA-N -1 3 384.359 3.166 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1CCC2(CC2)CC1 ZINC000738291373 598612732 /nfs/dbraw/zinc/61/27/32/598612732.db2.gz GGLCCLAVRCDJBS-UHFFFAOYSA-N -1 3 379.420 3.055 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CCC2(CC2)CC1 ZINC000738291373 598612733 /nfs/dbraw/zinc/61/27/33/598612733.db2.gz GGLCCLAVRCDJBS-UHFFFAOYSA-N -1 3 379.420 3.055 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000738269777 598614568 /nfs/dbraw/zinc/61/45/68/598614568.db2.gz QQDIOWZJFMCRDR-GOSISDBHSA-N -1 3 397.866 3.106 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000738269777 598614569 /nfs/dbraw/zinc/61/45/69/598614569.db2.gz QQDIOWZJFMCRDR-GOSISDBHSA-N -1 3 397.866 3.106 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000738269780 598614729 /nfs/dbraw/zinc/61/47/29/598614729.db2.gz QQDIOWZJFMCRDR-SFHVURJKSA-N -1 3 397.866 3.106 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000738269780 598614732 /nfs/dbraw/zinc/61/47/32/598614732.db2.gz QQDIOWZJFMCRDR-SFHVURJKSA-N -1 3 397.866 3.106 20 0 GGADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110987 598622638 /nfs/dbraw/zinc/62/26/38/598622638.db2.gz CZQIOCOINGGTRF-ZDUSSCGKSA-N -1 3 380.427 3.445 20 0 GGADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110987 598622639 /nfs/dbraw/zinc/62/26/39/598622639.db2.gz CZQIOCOINGGTRF-ZDUSSCGKSA-N -1 3 380.427 3.445 20 0 GGADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820397968 607361130 /nfs/dbraw/zinc/36/11/30/607361130.db2.gz YBIMKPGAWYUECI-BJOHPYRUSA-N -1 3 392.246 3.025 20 0 GGADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820397968 607361132 /nfs/dbraw/zinc/36/11/32/607361132.db2.gz YBIMKPGAWYUECI-BJOHPYRUSA-N -1 3 392.246 3.025 20 0 GGADHM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738102760 598625294 /nfs/dbraw/zinc/62/52/94/598625294.db2.gz CFUYLZADBCKARK-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738102760 598625296 /nfs/dbraw/zinc/62/52/96/598625296.db2.gz CFUYLZADBCKARK-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736798392 598627649 /nfs/dbraw/zinc/62/76/49/598627649.db2.gz YHHLVEPJZIGXFR-UHFFFAOYSA-N -1 3 388.378 3.078 20 0 GGADHM CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736798392 598627651 /nfs/dbraw/zinc/62/76/51/598627651.db2.gz YHHLVEPJZIGXFR-UHFFFAOYSA-N -1 3 388.378 3.078 20 0 GGADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736819140 598630719 /nfs/dbraw/zinc/63/07/19/598630719.db2.gz IQYZWDWPTPUFEB-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736819140 598630720 /nfs/dbraw/zinc/63/07/20/598630720.db2.gz IQYZWDWPTPUFEB-UHFFFAOYSA-N -1 3 392.341 3.271 20 0 GGADHM O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738088614 598631518 /nfs/dbraw/zinc/63/15/18/598631518.db2.gz RAQWRWMRYZWLGA-UHFFFAOYSA-N -1 3 394.332 3.389 20 0 GGADHM O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738088614 598631519 /nfs/dbraw/zinc/63/15/19/598631519.db2.gz RAQWRWMRYZWLGA-UHFFFAOYSA-N -1 3 394.332 3.389 20 0 GGADHM Cc1cc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)nc(C(C)C)n1 ZINC000737272228 598631878 /nfs/dbraw/zinc/63/18/78/598631878.db2.gz QNELIPDPAUYOKT-UHFFFAOYSA-N -1 3 398.902 3.069 20 0 GGADHM Cc1cc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)nc(C(C)C)n1 ZINC000737272228 598631880 /nfs/dbraw/zinc/63/18/80/598631880.db2.gz QNELIPDPAUYOKT-UHFFFAOYSA-N -1 3 398.902 3.069 20 0 GGADHM COc1ccc([C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000737076387 598632588 /nfs/dbraw/zinc/63/25/88/598632588.db2.gz QSCMUFDXUWVESK-QGZVFWFLSA-N -1 3 382.399 3.287 20 0 GGADHM COc1ccc([C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000737076387 598632590 /nfs/dbraw/zinc/63/25/90/598632590.db2.gz QSCMUFDXUWVESK-QGZVFWFLSA-N -1 3 382.399 3.287 20 0 GGADHM Cc1ccc(CSCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737343425 598632740 /nfs/dbraw/zinc/63/27/40/598632740.db2.gz PANNHWXMSFGZLC-UHFFFAOYSA-N -1 3 386.456 3.369 20 0 GGADHM Cc1ccc(CSCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737343425 598632741 /nfs/dbraw/zinc/63/27/41/598632741.db2.gz PANNHWXMSFGZLC-UHFFFAOYSA-N -1 3 386.456 3.369 20 0 GGADHM Clc1ccc(-c2nn[n-]n2)c(NC[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000737570337 598633621 /nfs/dbraw/zinc/63/36/21/598633621.db2.gz FNHWPWKGYSXIDK-GOSISDBHSA-N -1 3 384.871 3.006 20 0 GGADHM O=C(Nc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000738183748 598635463 /nfs/dbraw/zinc/63/54/63/598635463.db2.gz NBZZIKJUJXRZCK-KRWDZBQOSA-N -1 3 398.854 3.250 20 0 GGADHM O=C(Nc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC000738183748 598635464 /nfs/dbraw/zinc/63/54/64/598635464.db2.gz NBZZIKJUJXRZCK-KRWDZBQOSA-N -1 3 398.854 3.250 20 0 GGADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820402732 607361467 /nfs/dbraw/zinc/36/14/67/607361467.db2.gz FRHGJFITGOQGNA-JMCQJSRRSA-N -1 3 398.275 3.087 20 0 GGADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820402732 607361469 /nfs/dbraw/zinc/36/14/69/607361469.db2.gz FRHGJFITGOQGNA-JMCQJSRRSA-N -1 3 398.275 3.087 20 0 GGADHM Clc1cc(NC[C@@H](c2ccccc2)N2CCOCC2)ccc1-c1nnn[n-]1 ZINC000737563034 598639767 /nfs/dbraw/zinc/63/97/67/598639767.db2.gz CRTHZANKPZJKJM-SFHVURJKSA-N -1 3 384.871 3.006 20 0 GGADHM Clc1cc(NC[C@@H](c2ccccc2)N2CCOCC2)ccc1-c1nn[n-]n1 ZINC000737563034 598639769 /nfs/dbraw/zinc/63/97/69/598639769.db2.gz CRTHZANKPZJKJM-SFHVURJKSA-N -1 3 384.871 3.006 20 0 GGADHM CCc1nnc([C@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)o1 ZINC000736706103 598640421 /nfs/dbraw/zinc/64/04/21/598640421.db2.gz GXICNRBHNZUOLZ-ZETCQYMHSA-N -1 3 385.375 3.388 20 0 GGADHM Cn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccccc1F ZINC000737590687 598643308 /nfs/dbraw/zinc/64/33/08/598643308.db2.gz CAGBMBZTHWBLBE-UHFFFAOYSA-N -1 3 385.403 3.233 20 0 GGADHM Cn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccccc1F ZINC000737590687 598643309 /nfs/dbraw/zinc/64/33/09/598643309.db2.gz CAGBMBZTHWBLBE-UHFFFAOYSA-N -1 3 385.403 3.233 20 0 GGADHM CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736962341 598645232 /nfs/dbraw/zinc/64/52/32/598645232.db2.gz OPBHFEJTUGCEGJ-IAGOWNOFSA-N -1 3 395.419 3.168 20 0 GGADHM CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736962341 598645233 /nfs/dbraw/zinc/64/52/33/598645233.db2.gz OPBHFEJTUGCEGJ-IAGOWNOFSA-N -1 3 395.419 3.168 20 0 GGADHM COc1ccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737095830 598645254 /nfs/dbraw/zinc/64/52/54/598645254.db2.gz OUKDNEHROWLUGI-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM COc1ccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737095830 598645255 /nfs/dbraw/zinc/64/52/55/598645255.db2.gz OUKDNEHROWLUGI-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM COc1ccccc1OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737152457 598645263 /nfs/dbraw/zinc/64/52/63/598645263.db2.gz OPIPFEYMPPKPAL-UHFFFAOYSA-N -1 3 389.371 3.282 20 0 GGADHM COc1ccccc1OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737152457 598645264 /nfs/dbraw/zinc/64/52/64/598645264.db2.gz OPIPFEYMPPKPAL-UHFFFAOYSA-N -1 3 389.371 3.282 20 0 GGADHM CCCN(CCC)C(=O)c1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736473544 598645544 /nfs/dbraw/zinc/64/55/44/598645544.db2.gz SGNICUBYLWOMDV-UHFFFAOYSA-N -1 3 393.447 3.348 20 0 GGADHM CCCN(CCC)C(=O)c1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736473544 598645547 /nfs/dbraw/zinc/64/55/47/598645547.db2.gz SGNICUBYLWOMDV-UHFFFAOYSA-N -1 3 393.447 3.348 20 0 GGADHM C[C@H](C1CC1)n1nccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735963831 598646025 /nfs/dbraw/zinc/64/60/25/598646025.db2.gz OMRKGIFRDRERJE-CQSZACIVSA-N -1 3 395.467 3.222 20 0 GGADHM C[C@H](C1CC1)n1nccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735963831 598646027 /nfs/dbraw/zinc/64/60/27/598646027.db2.gz OMRKGIFRDRERJE-CQSZACIVSA-N -1 3 395.467 3.222 20 0 GGADHM CCOc1ccccc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736655183 598646668 /nfs/dbraw/zinc/64/66/68/598646668.db2.gz OLPZBIQVRZFWKD-UHFFFAOYSA-N -1 3 382.420 3.420 20 0 GGADHM CCOc1ccccc1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736655183 598646670 /nfs/dbraw/zinc/64/66/70/598646670.db2.gz OLPZBIQVRZFWKD-UHFFFAOYSA-N -1 3 382.420 3.420 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737340599 598646991 /nfs/dbraw/zinc/64/69/91/598646991.db2.gz ACQLOXVOJDEKMK-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1ccc(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737340599 598646993 /nfs/dbraw/zinc/64/69/93/598646993.db2.gz ACQLOXVOJDEKMK-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CCCCCCC1 ZINC000738267961 598647195 /nfs/dbraw/zinc/64/71/95/598647195.db2.gz GVLBETYIRWECSR-UHFFFAOYSA-N -1 3 378.436 3.460 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CCCCCCC1 ZINC000738267961 598647196 /nfs/dbraw/zinc/64/71/96/598647196.db2.gz GVLBETYIRWECSR-UHFFFAOYSA-N -1 3 378.436 3.460 20 0 GGADHM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736473888 598647576 /nfs/dbraw/zinc/64/75/76/598647576.db2.gz UZHAMMGNTSBXNY-UHFFFAOYSA-N -1 3 392.463 3.381 20 0 GGADHM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736473888 598647578 /nfs/dbraw/zinc/64/75/78/598647578.db2.gz UZHAMMGNTSBXNY-UHFFFAOYSA-N -1 3 392.463 3.381 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCc2ccccc2C1 ZINC000737832246 598648436 /nfs/dbraw/zinc/64/84/36/598648436.db2.gz HLPJDBHPTPXRJI-IBGZPJMESA-N -1 3 391.475 3.090 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2ccccc2C1 ZINC000737832246 598648437 /nfs/dbraw/zinc/64/84/37/598648437.db2.gz HLPJDBHPTPXRJI-IBGZPJMESA-N -1 3 391.475 3.090 20 0 GGADHM Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737343394 598650366 /nfs/dbraw/zinc/65/03/66/598650366.db2.gz XAOADUPQLGAAKJ-UHFFFAOYSA-N -1 3 379.464 3.349 20 0 GGADHM Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737343394 598650368 /nfs/dbraw/zinc/65/03/68/598650368.db2.gz XAOADUPQLGAAKJ-UHFFFAOYSA-N -1 3 379.464 3.349 20 0 GGADHM Cc1cc(C)n(-c2ccc(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)cn2)n1 ZINC000737254876 598653028 /nfs/dbraw/zinc/65/30/28/598653028.db2.gz ABMTXUYZTZASHG-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM Cc1cc(C)n(-c2ccc(CNc3ccc(-c4nn[n-]n4)c(Cl)c3)cn2)n1 ZINC000737254876 598653030 /nfs/dbraw/zinc/65/30/30/598653030.db2.gz ABMTXUYZTZASHG-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM CC(C)(C)c1ncc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000735656132 598653674 /nfs/dbraw/zinc/65/36/74/598653674.db2.gz VLZUTEAEFUDURT-UHFFFAOYSA-N -1 3 395.467 3.142 20 0 GGADHM CC(C)(C)c1ncc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735656132 598653676 /nfs/dbraw/zinc/65/36/76/598653676.db2.gz VLZUTEAEFUDURT-UHFFFAOYSA-N -1 3 395.467 3.142 20 0 GGADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737823494 598654150 /nfs/dbraw/zinc/65/41/50/598654150.db2.gz HPKJREPWZWZFJH-MRXNPFEDSA-N -1 3 394.435 3.342 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000735906729 598655205 /nfs/dbraw/zinc/65/52/05/598655205.db2.gz UVANTGVMHKZESJ-UHFFFAOYSA-N -1 3 377.326 3.324 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000735906729 598655207 /nfs/dbraw/zinc/65/52/07/598655207.db2.gz UVANTGVMHKZESJ-UHFFFAOYSA-N -1 3 377.326 3.324 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000737940520 598655477 /nfs/dbraw/zinc/65/54/77/598655477.db2.gz GHFHCYRJWNPPTL-MRXNPFEDSA-N -1 3 399.451 3.128 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000737940520 598655479 /nfs/dbraw/zinc/65/54/79/598655479.db2.gz GHFHCYRJWNPPTL-MRXNPFEDSA-N -1 3 399.451 3.128 20 0 GGADHM COc1c(Cl)cccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737027000 598655744 /nfs/dbraw/zinc/65/57/44/598655744.db2.gz WKIGRVYQMRSMCA-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM COc1c(Cl)cccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737027000 598655746 /nfs/dbraw/zinc/65/57/46/598655746.db2.gz WKIGRVYQMRSMCA-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccc2nccn2c1 ZINC000738210433 598656186 /nfs/dbraw/zinc/65/61/86/598656186.db2.gz PICLBPJNWOVLJC-UHFFFAOYSA-N -1 3 393.476 3.487 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccc2nccn2c1 ZINC000738210433 598656188 /nfs/dbraw/zinc/65/61/88/598656188.db2.gz PICLBPJNWOVLJC-UHFFFAOYSA-N -1 3 393.476 3.487 20 0 GGADHM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1F ZINC000736741276 598656346 /nfs/dbraw/zinc/65/63/46/598656346.db2.gz DSQFNHFSPVDISC-UHFFFAOYSA-N -1 3 390.378 3.470 20 0 GGADHM CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1F ZINC000736741276 598656348 /nfs/dbraw/zinc/65/63/48/598656348.db2.gz DSQFNHFSPVDISC-UHFFFAOYSA-N -1 3 390.378 3.470 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(F)cc2)CCC1 ZINC000737941512 598657093 /nfs/dbraw/zinc/65/70/93/598657093.db2.gz DEXYDKPGNOOKHU-UHFFFAOYSA-N -1 3 383.452 3.294 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(F)cc2)CCC1 ZINC000737941512 598657094 /nfs/dbraw/zinc/65/70/94/598657094.db2.gz DEXYDKPGNOOKHU-UHFFFAOYSA-N -1 3 383.452 3.294 20 0 GGADHM Cc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737336834 598657781 /nfs/dbraw/zinc/65/77/81/598657781.db2.gz HKVQOYAEQCANNH-UHFFFAOYSA-N -1 3 385.493 3.444 20 0 GGADHM Cc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737336834 598657783 /nfs/dbraw/zinc/65/77/83/598657783.db2.gz HKVQOYAEQCANNH-UHFFFAOYSA-N -1 3 385.493 3.444 20 0 GGADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2[nH]1 ZINC000736362482 598658224 /nfs/dbraw/zinc/65/82/24/598658224.db2.gz JVIXWOLONFLXAR-AWEZNQCLSA-N -1 3 393.476 3.103 20 0 GGADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000736362482 598658225 /nfs/dbraw/zinc/65/82/25/598658225.db2.gz JVIXWOLONFLXAR-AWEZNQCLSA-N -1 3 393.476 3.103 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738150196 598658312 /nfs/dbraw/zinc/65/83/12/598658312.db2.gz BLEOATNAOGGHCH-WDEREUQCSA-N -1 3 375.219 3.311 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738150196 598658314 /nfs/dbraw/zinc/65/83/14/598658314.db2.gz BLEOATNAOGGHCH-WDEREUQCSA-N -1 3 375.219 3.311 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCCc1ccc(Cl)cc1 ZINC000737941358 598658973 /nfs/dbraw/zinc/65/89/73/598658973.db2.gz LYSXLDUHDUCDHA-UHFFFAOYSA-N -1 3 387.896 3.361 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCCc1ccc(Cl)cc1 ZINC000737941358 598658975 /nfs/dbraw/zinc/65/89/75/598658975.db2.gz LYSXLDUHDUCDHA-UHFFFAOYSA-N -1 3 387.896 3.361 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000737941765 598659156 /nfs/dbraw/zinc/65/91/56/598659156.db2.gz QZYDBHCGHKEFAL-UHFFFAOYSA-N -1 3 399.907 3.460 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000737941765 598659158 /nfs/dbraw/zinc/65/91/58/598659158.db2.gz QZYDBHCGHKEFAL-UHFFFAOYSA-N -1 3 399.907 3.460 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1(c2ccc(Br)cc2)CCC1 ZINC000738152342 598659619 /nfs/dbraw/zinc/65/96/19/598659619.db2.gz VYLVABPSLMSYLW-UHFFFAOYSA-N -1 3 399.252 3.085 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1(c2ccc(Br)cc2)CCC1 ZINC000738152342 598659621 /nfs/dbraw/zinc/65/96/21/598659621.db2.gz VYLVABPSLMSYLW-UHFFFAOYSA-N -1 3 399.252 3.085 20 0 GGADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)o2)c(C)c1 ZINC000737365211 598660125 /nfs/dbraw/zinc/66/01/25/598660125.db2.gz GTBULEPFYSECIJ-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)o2)c(C)c1 ZINC000737365211 598660126 /nfs/dbraw/zinc/66/01/26/598660126.db2.gz GTBULEPFYSECIJ-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM O=C(Nc1ccc(F)cn1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738165729 598660770 /nfs/dbraw/zinc/66/07/70/598660770.db2.gz NKUBSLZOACRWBQ-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(F)cn1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738165729 598660772 /nfs/dbraw/zinc/66/07/72/598660772.db2.gz NKUBSLZOACRWBQ-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccnn1-c1cccc(Cl)c1 ZINC000737800262 598661147 /nfs/dbraw/zinc/66/11/47/598661147.db2.gz KYJSXMRNSFSHOI-HJWRWDBZSA-N -1 3 391.822 3.358 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccnn1-c1cccc(Cl)c1 ZINC000737800262 598661149 /nfs/dbraw/zinc/66/11/49/598661149.db2.gz KYJSXMRNSFSHOI-HJWRWDBZSA-N -1 3 391.822 3.358 20 0 GGADHM CN(Cc1nc2ccccc2s1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736830884 598663041 /nfs/dbraw/zinc/66/30/41/598663041.db2.gz CEBJKUFESXSJCR-UHFFFAOYSA-N -1 3 396.501 3.227 20 0 GGADHM CN(Cc1nc2ccccc2s1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736830884 598663043 /nfs/dbraw/zinc/66/30/43/598663043.db2.gz CEBJKUFESXSJCR-UHFFFAOYSA-N -1 3 396.501 3.227 20 0 GGADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737918402 598663252 /nfs/dbraw/zinc/66/32/52/598663252.db2.gz DCAATPGSFLEVCL-UHFFFAOYSA-N -1 3 380.795 3.086 20 0 GGADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737918402 598663254 /nfs/dbraw/zinc/66/32/54/598663254.db2.gz DCAATPGSFLEVCL-UHFFFAOYSA-N -1 3 380.795 3.086 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000737943273 598666959 /nfs/dbraw/zinc/66/69/59/598666959.db2.gz RQDZSYDWFKCYCX-KRWDZBQOSA-N -1 3 383.452 3.462 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000737943273 598666961 /nfs/dbraw/zinc/66/69/61/598666961.db2.gz RQDZSYDWFKCYCX-KRWDZBQOSA-N -1 3 383.452 3.462 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC(C)(C)O1 ZINC000736295116 598667102 /nfs/dbraw/zinc/66/71/02/598667102.db2.gz YPSVWIZPCHDCFR-CQSZACIVSA-N -1 3 393.447 3.299 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC(C)(C)O1 ZINC000736295116 598667103 /nfs/dbraw/zinc/66/71/03/598667103.db2.gz YPSVWIZPCHDCFR-CQSZACIVSA-N -1 3 393.447 3.299 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736445982 598668110 /nfs/dbraw/zinc/66/81/10/598668110.db2.gz FYNVJMPCBGRLJG-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736445982 598668111 /nfs/dbraw/zinc/66/81/11/598668111.db2.gz FYNVJMPCBGRLJG-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736184308 598668837 /nfs/dbraw/zinc/66/88/37/598668837.db2.gz YHDMXRGXIQTRQH-HIFRSBDPSA-N -1 3 397.866 3.304 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736184308 598668838 /nfs/dbraw/zinc/66/88/38/598668838.db2.gz YHDMXRGXIQTRQH-HIFRSBDPSA-N -1 3 397.866 3.304 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccc(F)cc2)CCC1 ZINC000737942137 598669277 /nfs/dbraw/zinc/66/92/77/598669277.db2.gz VQLZFVXDGIUZQI-UHFFFAOYSA-N -1 3 397.479 3.336 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccc(F)cc2)CCC1 ZINC000737942137 598669278 /nfs/dbraw/zinc/66/92/78/598669278.db2.gz VQLZFVXDGIUZQI-UHFFFAOYSA-N -1 3 397.479 3.336 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC000737243922 598671295 /nfs/dbraw/zinc/67/12/95/598671295.db2.gz CRLUBDOPQMHCDO-CYBMUJFWSA-N -1 3 399.524 3.210 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC000737243922 598671297 /nfs/dbraw/zinc/67/12/97/598671297.db2.gz CRLUBDOPQMHCDO-CYBMUJFWSA-N -1 3 399.524 3.210 20 0 GGADHM CCCC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736439609 598671533 /nfs/dbraw/zinc/67/15/33/598671533.db2.gz XLRRLKILCJBCMY-LJQANCHMSA-N -1 3 394.479 3.335 20 0 GGADHM CN(C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000736790859 598672706 /nfs/dbraw/zinc/67/27/06/598672706.db2.gz KBMOWPRITDNSHZ-GFCCVEGCSA-N -1 3 392.891 3.213 20 0 GGADHM CN(C[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000736790859 598672708 /nfs/dbraw/zinc/67/27/08/598672708.db2.gz KBMOWPRITDNSHZ-GFCCVEGCSA-N -1 3 392.891 3.213 20 0 GGADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C[C@@H](C)O1 ZINC000736405632 598677863 /nfs/dbraw/zinc/67/78/63/598677863.db2.gz HDJSUJQIPJNACD-GHMZBOCLSA-N -1 3 390.394 3.020 20 0 GGADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C[C@@H](C)O1 ZINC000736405632 598677865 /nfs/dbraw/zinc/67/78/65/598677865.db2.gz HDJSUJQIPJNACD-GHMZBOCLSA-N -1 3 390.394 3.020 20 0 GGADHM Cc1nnc(N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1C ZINC000737518966 598682076 /nfs/dbraw/zinc/68/20/76/598682076.db2.gz ABLURUQRJCYYJI-VIFPVBQESA-N -1 3 377.374 3.335 20 0 GGADHM Cc1nnc(N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1C ZINC000737518966 598682077 /nfs/dbraw/zinc/68/20/77/598682077.db2.gz ABLURUQRJCYYJI-VIFPVBQESA-N -1 3 377.374 3.335 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(Cc1ccncc1)C1CC1 ZINC000737832252 598685750 /nfs/dbraw/zinc/68/57/50/598685750.db2.gz HMRAXCPGEQSRCC-UHFFFAOYSA-N -1 3 392.463 3.002 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(Cc1ccncc1)C1CC1 ZINC000737832252 598685752 /nfs/dbraw/zinc/68/57/52/598685752.db2.gz HMRAXCPGEQSRCC-UHFFFAOYSA-N -1 3 392.463 3.002 20 0 GGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736328889 598686611 /nfs/dbraw/zinc/68/66/11/598686611.db2.gz QTQKUCBZDFGXDS-NSHDSACASA-N -1 3 376.413 3.287 20 0 GGADHM O=C(COC(=O)c1nc(-c2ccccc2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416799 607364860 /nfs/dbraw/zinc/36/48/60/607364860.db2.gz QFCITFHQUKFLLY-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM O=C(COC(=O)c1nc(-c2ccccc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416799 607364862 /nfs/dbraw/zinc/36/48/62/607364862.db2.gz QFCITFHQUKFLLY-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM Cc1oc(NC(=O)CN(C)[C@H](C)c2cccc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000822542233 607364887 /nfs/dbraw/zinc/36/48/87/607364887.db2.gz WCUFZSMUEICDQT-LLVKDONJSA-N -1 3 388.859 3.361 20 0 GGADHM Cc1oc(NC(=O)CN(C)[C@H](C)c2cccc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000822542233 607364888 /nfs/dbraw/zinc/36/48/88/607364888.db2.gz WCUFZSMUEICDQT-LLVKDONJSA-N -1 3 388.859 3.361 20 0 GGADHM Cc1ccccc1CCNC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737425680 598696497 /nfs/dbraw/zinc/69/64/97/598696497.db2.gz CZIXLBBPQHZWHX-CQSZACIVSA-N -1 3 399.495 3.295 20 0 GGADHM Cc1ccccc1CCNC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737425680 598696498 /nfs/dbraw/zinc/69/64/98/598696498.db2.gz CZIXLBBPQHZWHX-CQSZACIVSA-N -1 3 399.495 3.295 20 0 GGADHM O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826415439 607362932 /nfs/dbraw/zinc/36/29/32/607362932.db2.gz GCPWOIPMZNTAJP-UHFFFAOYSA-N -1 3 395.177 3.352 20 0 GGADHM O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826415439 607362934 /nfs/dbraw/zinc/36/29/34/607362934.db2.gz GCPWOIPMZNTAJP-UHFFFAOYSA-N -1 3 395.177 3.352 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@H](C)c2ccccc21 ZINC000820741122 607363299 /nfs/dbraw/zinc/36/32/99/607363299.db2.gz BLIIDPUIILQLIT-NWDGAFQWSA-N -1 3 394.504 3.368 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@H](C)c2ccccc21 ZINC000820741122 607363300 /nfs/dbraw/zinc/36/33/00/607363300.db2.gz BLIIDPUIILQLIT-NWDGAFQWSA-N -1 3 394.504 3.368 20 0 GGADHM CCc1nnc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)o1 ZINC000736705974 598703834 /nfs/dbraw/zinc/70/38/34/598703834.db2.gz DQPKGBNUSSQTPH-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM CCc1nnc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)o1 ZINC000736705974 598703837 /nfs/dbraw/zinc/70/38/37/598703837.db2.gz DQPKGBNUSSQTPH-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM Cc1cc(F)ccc1N(Cc1nccn1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737271377 598703862 /nfs/dbraw/zinc/70/38/62/598703862.db2.gz UKOPHXZYIAAYFH-UHFFFAOYSA-N -1 3 377.427 3.255 20 0 GGADHM Cc1cc(F)ccc1N(Cc1nccn1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737271377 598703863 /nfs/dbraw/zinc/70/38/63/598703863.db2.gz UKOPHXZYIAAYFH-UHFFFAOYSA-N -1 3 377.427 3.255 20 0 GGADHM Cc1cc(F)ccc1N(CC(=O)NC(C)(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737264553 598703879 /nfs/dbraw/zinc/70/38/79/598703879.db2.gz SOZVWBGMUBXFON-UHFFFAOYSA-N -1 3 396.470 3.236 20 0 GGADHM Cc1cc(F)ccc1N(CC(=O)NC(C)(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737264553 598703880 /nfs/dbraw/zinc/70/38/80/598703880.db2.gz SOZVWBGMUBXFON-UHFFFAOYSA-N -1 3 396.470 3.236 20 0 GGADHM O=C(Cc1ccc(C(F)(F)F)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737956181 598705709 /nfs/dbraw/zinc/70/57/09/598705709.db2.gz WXNOCHFHOSDPCM-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1ccc(C(F)(F)F)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737956181 598705710 /nfs/dbraw/zinc/70/57/10/598705710.db2.gz WXNOCHFHOSDPCM-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1Br ZINC000738234910 598707559 /nfs/dbraw/zinc/70/75/59/598707559.db2.gz HEXLQWWTTNPHDL-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1Br ZINC000738234910 598707560 /nfs/dbraw/zinc/70/75/60/598707560.db2.gz HEXLQWWTTNPHDL-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cs2)o1 ZINC000737289558 598707796 /nfs/dbraw/zinc/70/77/96/598707796.db2.gz VHINKBCZCGZLAI-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cs2)o1 ZINC000737289558 598707798 /nfs/dbraw/zinc/70/77/98/598707798.db2.gz VHINKBCZCGZLAI-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737564676 598708231 /nfs/dbraw/zinc/70/82/31/598708231.db2.gz WWRQGJXKHRTGSG-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737564676 598708233 /nfs/dbraw/zinc/70/82/33/598708233.db2.gz WWRQGJXKHRTGSG-UHFFFAOYSA-N -1 3 397.341 3.465 20 0 GGADHM Cc1ccccc1CS(=O)(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427194 598709856 /nfs/dbraw/zinc/70/98/56/598709856.db2.gz ADVFMZNMPPNOPU-UHFFFAOYSA-N -1 3 385.493 3.168 20 0 GGADHM CC(=O)c1cccc(OCCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735499965 598710381 /nfs/dbraw/zinc/71/03/81/598710381.db2.gz UUXRKGPNUQYXOX-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM CC(=O)c1cccc(OCCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735499965 598710383 /nfs/dbraw/zinc/71/03/83/598710383.db2.gz UUXRKGPNUQYXOX-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCc2ccccc21 ZINC000735660266 598713647 /nfs/dbraw/zinc/71/36/47/598713647.db2.gz KQTFERFLXWFEIJ-CQSZACIVSA-N -1 3 379.468 3.275 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCc2ccccc21 ZINC000735660266 598713649 /nfs/dbraw/zinc/71/36/49/598713649.db2.gz KQTFERFLXWFEIJ-CQSZACIVSA-N -1 3 379.468 3.275 20 0 GGADHM Cc1ccc(C(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737308681 598715142 /nfs/dbraw/zinc/71/51/42/598715142.db2.gz MYJXNUXTOHRORD-UHFFFAOYSA-N -1 3 382.445 3.002 20 0 GGADHM Cc1ccc(C(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737308681 598715144 /nfs/dbraw/zinc/71/51/44/598715144.db2.gz MYJXNUXTOHRORD-UHFFFAOYSA-N -1 3 382.445 3.002 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC(=O)c1cc2ccccc2o1 ZINC000737946808 598715688 /nfs/dbraw/zinc/71/56/88/598715688.db2.gz FTIYEHLOOJAZRR-UHFFFAOYSA-N -1 3 394.412 3.131 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC(=O)c1cc2ccccc2o1 ZINC000737946808 598715690 /nfs/dbraw/zinc/71/56/90/598715690.db2.gz FTIYEHLOOJAZRR-UHFFFAOYSA-N -1 3 394.412 3.131 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c21 ZINC000737295346 598717099 /nfs/dbraw/zinc/71/70/99/598717099.db2.gz VCBIOGNROXBCFL-UHFFFAOYSA-N -1 3 375.436 3.329 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c21 ZINC000737295346 598717101 /nfs/dbraw/zinc/71/71/01/598717101.db2.gz VCBIOGNROXBCFL-UHFFFAOYSA-N -1 3 375.436 3.329 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c21 ZINC000737409703 598718409 /nfs/dbraw/zinc/71/84/09/598718409.db2.gz RHFKXQGLOJKTKC-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c21 ZINC000737409703 598718410 /nfs/dbraw/zinc/71/84/10/598718410.db2.gz RHFKXQGLOJKTKC-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM Cc1nc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)c[nH]1 ZINC000737468418 598718870 /nfs/dbraw/zinc/71/88/70/598718870.db2.gz ZNHPHTUWVUHVIO-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM CCN(CC)[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736534439 598722830 /nfs/dbraw/zinc/72/28/30/598722830.db2.gz OHRMHSOHYLWFHK-SFHVURJKSA-N -1 3 383.427 3.132 20 0 GGADHM CCN(CC)[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736534439 598722831 /nfs/dbraw/zinc/72/28/31/598722831.db2.gz OHRMHSOHYLWFHK-SFHVURJKSA-N -1 3 383.427 3.132 20 0 GGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)[nH]1 ZINC000738222974 598725194 /nfs/dbraw/zinc/72/51/94/598725194.db2.gz RBFUVCAYVYHRPK-UHFFFAOYSA-N -1 3 375.388 3.098 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC[C@H]1CC1(Cl)Cl ZINC000737842762 598726918 /nfs/dbraw/zinc/72/69/18/598726918.db2.gz WJCVOPZTBFXEOQ-GFCCVEGCSA-N -1 3 385.251 3.153 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC[C@H]1CC1(Cl)Cl ZINC000737842762 598726920 /nfs/dbraw/zinc/72/69/20/598726920.db2.gz WJCVOPZTBFXEOQ-GFCCVEGCSA-N -1 3 385.251 3.153 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c21 ZINC000737410618 598727925 /nfs/dbraw/zinc/72/79/25/598727925.db2.gz WAXNEIGYCLJRAD-UHFFFAOYSA-N -1 3 389.463 3.041 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c21 ZINC000737410618 598727926 /nfs/dbraw/zinc/72/79/26/598727926.db2.gz WAXNEIGYCLJRAD-UHFFFAOYSA-N -1 3 389.463 3.041 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000736635923 598728949 /nfs/dbraw/zinc/72/89/49/598728949.db2.gz IVEKGVKHELCKKX-KPZWWZAWSA-N -1 3 378.436 3.320 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000736635923 598728950 /nfs/dbraw/zinc/72/89/50/598728950.db2.gz IVEKGVKHELCKKX-KPZWWZAWSA-N -1 3 378.436 3.320 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCOc1ccccc1C(C)C ZINC000737062756 598729480 /nfs/dbraw/zinc/72/94/80/598729480.db2.gz MJIGJVWENCSDII-UHFFFAOYSA-N -1 3 396.451 3.199 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCOc1ccccc1C(C)C ZINC000737062756 598729482 /nfs/dbraw/zinc/72/94/82/598729482.db2.gz MJIGJVWENCSDII-UHFFFAOYSA-N -1 3 396.451 3.199 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737489179 598730132 /nfs/dbraw/zinc/73/01/32/598730132.db2.gz XBSXJBNJQAOLQP-BZNIZROVSA-N -1 3 397.508 3.412 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737489179 598730133 /nfs/dbraw/zinc/73/01/33/598730133.db2.gz XBSXJBNJQAOLQP-BZNIZROVSA-N -1 3 397.508 3.412 20 0 GGADHM O=C(OCc1cccs1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738233842 598734551 /nfs/dbraw/zinc/73/45/51/598734551.db2.gz HSHBYUWLUVCVAA-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM O=C(OCc1cccs1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738233842 598734552 /nfs/dbraw/zinc/73/45/52/598734552.db2.gz HSHBYUWLUVCVAA-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM COC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000736966837 598735209 /nfs/dbraw/zinc/73/52/09/598735209.db2.gz CIHDVHBXMAXXNL-WDEREUQCSA-N -1 3 377.514 3.300 20 0 GGADHM COC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000736966837 598735210 /nfs/dbraw/zinc/73/52/10/598735210.db2.gz CIHDVHBXMAXXNL-WDEREUQCSA-N -1 3 377.514 3.300 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736667473 598745735 /nfs/dbraw/zinc/74/57/35/598745735.db2.gz RDFYSZKQXZFWCL-ZDUSSCGKSA-N -1 3 383.477 3.235 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736667473 598745736 /nfs/dbraw/zinc/74/57/36/598745736.db2.gz RDFYSZKQXZFWCL-ZDUSSCGKSA-N -1 3 383.477 3.235 20 0 GGADHM CCSc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666616 598746019 /nfs/dbraw/zinc/74/60/19/598746019.db2.gz MDNSEGKRXOETPX-CYBMUJFWSA-N -1 3 383.477 3.235 20 0 GGADHM O=C(C=Cc1ccccc1F)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737801149 598747271 /nfs/dbraw/zinc/74/72/71/598747271.db2.gz LZTFVSJBRGFUPR-YFHOEESVSA-N -1 3 393.422 3.089 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1nccs1)c1ccccc1 ZINC000737851191 598748846 /nfs/dbraw/zinc/74/88/46/598748846.db2.gz FDMOTXLJDWJEDR-GOSISDBHSA-N -1 3 390.472 3.162 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1nccs1)c1ccccc1 ZINC000737851191 598748847 /nfs/dbraw/zinc/74/88/47/598748847.db2.gz FDMOTXLJDWJEDR-GOSISDBHSA-N -1 3 390.472 3.162 20 0 GGADHM C[C@H](OC(=O)C=Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736153915 598751125 /nfs/dbraw/zinc/75/11/25/598751125.db2.gz RZUSZOPPSOMHFH-PMDBQALLSA-N -1 3 397.822 3.104 20 0 GGADHM C[C@H](OC(=O)C=Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736153915 598751126 /nfs/dbraw/zinc/75/11/26/598751126.db2.gz RZUSZOPPSOMHFH-PMDBQALLSA-N -1 3 397.822 3.104 20 0 GGADHM Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737443916 598752027 /nfs/dbraw/zinc/75/20/27/598752027.db2.gz YDCHRUNMKGQQFJ-SECBINFHSA-N -1 3 391.840 3.074 20 0 GGADHM Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737443916 598752028 /nfs/dbraw/zinc/75/20/28/598752028.db2.gz YDCHRUNMKGQQFJ-SECBINFHSA-N -1 3 391.840 3.074 20 0 GGADHM CCN(CC1CC1)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736534642 598753162 /nfs/dbraw/zinc/75/31/62/598753162.db2.gz MOIAGBOAKXAJHD-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM CCN(CC1CC1)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736534642 598753163 /nfs/dbraw/zinc/75/31/63/598753163.db2.gz MOIAGBOAKXAJHD-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM CC(NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)(c1ccccc1)c1ccccc1 ZINC000736105053 598754041 /nfs/dbraw/zinc/75/40/41/598754041.db2.gz KVNONRDVEPJSHO-UHFFFAOYSA-N -1 3 398.470 3.359 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](c1ccccc1C)C(C)C ZINC000737025671 598754871 /nfs/dbraw/zinc/75/48/71/598754871.db2.gz YXVCZWHEOVEMEL-FQEVSTJZSA-N -1 3 395.463 3.076 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](c1ccccc1C)C(C)C ZINC000737025671 598754872 /nfs/dbraw/zinc/75/48/72/598754872.db2.gz YXVCZWHEOVEMEL-FQEVSTJZSA-N -1 3 395.463 3.076 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC000737900263 598755416 /nfs/dbraw/zinc/75/54/16/598755416.db2.gz YJWCJJIPFCPWBE-UHFFFAOYSA-N -1 3 387.403 3.105 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737216398 598759013 /nfs/dbraw/zinc/75/90/13/598759013.db2.gz SNYLVVVBTZECBL-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737216398 598759015 /nfs/dbraw/zinc/75/90/15/598759015.db2.gz SNYLVVVBTZECBL-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(SC)o1 ZINC000736628624 598762890 /nfs/dbraw/zinc/76/28/90/598762890.db2.gz RQYZVBCJYBBRIF-UHFFFAOYSA-N -1 3 380.813 3.453 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(SC)o1 ZINC000736628624 598762891 /nfs/dbraw/zinc/76/28/91/598762891.db2.gz RQYZVBCJYBBRIF-UHFFFAOYSA-N -1 3 380.813 3.453 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1cnc(C)s1 ZINC000736627845 598762968 /nfs/dbraw/zinc/76/29/68/598762968.db2.gz OKVVSWFBSXCMPC-PLNGDYQASA-N -1 3 391.840 3.303 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1cnc(C)s1 ZINC000736627845 598762969 /nfs/dbraw/zinc/76/29/69/598762969.db2.gz OKVVSWFBSXCMPC-PLNGDYQASA-N -1 3 391.840 3.303 20 0 GGADHM CCOc1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000736655985 598763019 /nfs/dbraw/zinc/76/30/19/598763019.db2.gz ZGOJYFRHJSSKLJ-UHFFFAOYSA-N -1 3 379.207 3.220 20 0 GGADHM CCOc1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000736655985 598763022 /nfs/dbraw/zinc/76/30/22/598763022.db2.gz ZGOJYFRHJSSKLJ-UHFFFAOYSA-N -1 3 379.207 3.220 20 0 GGADHM Cc1ncc(C=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000737490351 598763561 /nfs/dbraw/zinc/76/35/61/598763561.db2.gz SVCIIIBUSOOJRW-CMDGGOBGSA-N -1 3 382.493 3.330 20 0 GGADHM Cc1ncc(C=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000737490351 598763563 /nfs/dbraw/zinc/76/35/63/598763563.db2.gz SVCIIIBUSOOJRW-CMDGGOBGSA-N -1 3 382.493 3.330 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000737424107 598764675 /nfs/dbraw/zinc/76/46/75/598764675.db2.gz VKWYCAMYXIETCP-IFXJQAMLSA-N -1 3 377.448 3.210 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000737424107 598764676 /nfs/dbraw/zinc/76/46/76/598764676.db2.gz VKWYCAMYXIETCP-IFXJQAMLSA-N -1 3 377.448 3.210 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737424645 598764741 /nfs/dbraw/zinc/76/47/41/598764741.db2.gz WISOFIPUYVWSBE-IFXJQAMLSA-N -1 3 377.448 3.210 20 0 GGADHM CC(C)(C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824064823 607366522 /nfs/dbraw/zinc/36/65/22/607366522.db2.gz OGUONWIXMUXLNW-UHFFFAOYSA-N -1 3 384.823 3.224 20 0 GGADHM CC(C)(C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000824064823 607366524 /nfs/dbraw/zinc/36/65/24/607366524.db2.gz OGUONWIXMUXLNW-UHFFFAOYSA-N -1 3 384.823 3.224 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737420679 598769425 /nfs/dbraw/zinc/76/94/25/598769425.db2.gz IXHZUEYDYBVHFD-IBGZPJMESA-N -1 3 378.480 3.491 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000738152722 598769722 /nfs/dbraw/zinc/76/97/22/598769722.db2.gz ZIVNBBACTGVXLW-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000738152722 598769723 /nfs/dbraw/zinc/76/97/23/598769723.db2.gz ZIVNBBACTGVXLW-MRXNPFEDSA-N -1 3 384.827 3.126 20 0 GGADHM Cc1cc(C)n(CCCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)n1 ZINC000737256219 598770623 /nfs/dbraw/zinc/77/06/23/598770623.db2.gz IJYCMMZRPGDXNX-UHFFFAOYSA-N -1 3 384.394 3.009 20 0 GGADHM Cc1cc(C)n(CCCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)n1 ZINC000737256219 598770625 /nfs/dbraw/zinc/77/06/25/598770625.db2.gz IJYCMMZRPGDXNX-UHFFFAOYSA-N -1 3 384.394 3.009 20 0 GGADHM C[C@@H](NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)c1cccs1 ZINC000736113013 598770641 /nfs/dbraw/zinc/77/06/41/598770641.db2.gz LOOCCBGQMAGSMA-CYBMUJFWSA-N -1 3 398.492 3.242 20 0 GGADHM Cc1cccc(OCCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000737410968 598770674 /nfs/dbraw/zinc/77/06/74/598770674.db2.gz HXSHWAVQDKJAFL-UHFFFAOYSA-N -1 3 382.374 3.492 20 0 GGADHM Cc1cccc(OCCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000737410968 598770676 /nfs/dbraw/zinc/77/06/76/598770676.db2.gz HXSHWAVQDKJAFL-UHFFFAOYSA-N -1 3 382.374 3.492 20 0 GGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1OC ZINC000737094888 598770687 /nfs/dbraw/zinc/77/06/87/598770687.db2.gz CCMVDMUSOJKMFX-UHFFFAOYSA-N -1 3 398.373 3.322 20 0 GGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1OC ZINC000737094888 598770689 /nfs/dbraw/zinc/77/06/89/598770689.db2.gz CCMVDMUSOJKMFX-UHFFFAOYSA-N -1 3 398.373 3.322 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@H]3Cc4ccccc4O3)c2c1 ZINC000737644642 598770751 /nfs/dbraw/zinc/77/07/51/598770751.db2.gz JGFCRNPQOHRCEX-GFCCVEGCSA-N -1 3 380.358 3.109 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@H]3Cc4ccccc4O3)c2c1 ZINC000737644642 598770752 /nfs/dbraw/zinc/77/07/52/598770752.db2.gz JGFCRNPQOHRCEX-GFCCVEGCSA-N -1 3 380.358 3.109 20 0 GGADHM COc1ccccc1OCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737152995 598770780 /nfs/dbraw/zinc/77/07/80/598770780.db2.gz WEUMJSJOMCIMGT-UHFFFAOYSA-N -1 3 398.373 3.193 20 0 GGADHM COc1ccccc1OCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737152995 598770781 /nfs/dbraw/zinc/77/07/81/598770781.db2.gz WEUMJSJOMCIMGT-UHFFFAOYSA-N -1 3 398.373 3.193 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000737320715 598771192 /nfs/dbraw/zinc/77/11/92/598771192.db2.gz ODNDBJMAIYDLGK-CQSZACIVSA-N -1 3 396.451 3.082 20 0 GGADHM Cc1nc(C)c(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)s1 ZINC000737474898 598773257 /nfs/dbraw/zinc/77/32/57/598773257.db2.gz XVNCKQQVSQJEJK-UHFFFAOYSA-N -1 3 387.419 3.421 20 0 GGADHM Cc1nc(C)c(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)s1 ZINC000737474898 598773259 /nfs/dbraw/zinc/77/32/59/598773259.db2.gz XVNCKQQVSQJEJK-UHFFFAOYSA-N -1 3 387.419 3.421 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736349044 598779162 /nfs/dbraw/zinc/77/91/62/598779162.db2.gz CXVNGPHRJANNQE-ZBFHGGJFSA-N -1 3 393.447 3.006 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736349044 598779164 /nfs/dbraw/zinc/77/91/64/598779164.db2.gz CXVNGPHRJANNQE-ZBFHGGJFSA-N -1 3 393.447 3.006 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cn4ccccc4c3-c3nnn[n-]3)c21 ZINC000737409920 598779808 /nfs/dbraw/zinc/77/98/08/598779808.db2.gz UOSAOIPYXFBDEQ-UHFFFAOYSA-N -1 3 386.415 3.195 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)OCc3cn4ccccc4c3-c3nn[n-]n3)c21 ZINC000737409920 598779809 /nfs/dbraw/zinc/77/98/09/598779809.db2.gz UOSAOIPYXFBDEQ-UHFFFAOYSA-N -1 3 386.415 3.195 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCS1 ZINC000736282645 598781690 /nfs/dbraw/zinc/78/16/90/598781690.db2.gz ZCMURVBABCRPBO-GFCCVEGCSA-N -1 3 397.464 3.023 20 0 GGADHM Cc1cc(F)ccc1NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737269322 598782366 /nfs/dbraw/zinc/78/23/66/598782366.db2.gz CTYZOUBUDQGBKJ-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM CC(C)[C@](C)(O)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735694529 598782403 /nfs/dbraw/zinc/78/24/03/598782403.db2.gz PVUVRTQDMAJVEP-HXUWFJFHSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)[C@](C)(O)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735694529 598782404 /nfs/dbraw/zinc/78/24/04/598782404.db2.gz PVUVRTQDMAJVEP-HXUWFJFHSA-N -1 3 396.451 3.188 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccn1)C(C)C ZINC000736633564 598782805 /nfs/dbraw/zinc/78/28/05/598782805.db2.gz DGRHAYMFHYYEBS-UHFFFAOYSA-N -1 3 381.440 3.103 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccn1)C(C)C ZINC000736633564 598782806 /nfs/dbraw/zinc/78/28/06/598782806.db2.gz DGRHAYMFHYYEBS-UHFFFAOYSA-N -1 3 381.440 3.103 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000736111605 598783466 /nfs/dbraw/zinc/78/34/66/598783466.db2.gz MRAMLACMUNGORR-OAHLLOKOSA-N -1 3 396.499 3.325 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000736111605 598783468 /nfs/dbraw/zinc/78/34/68/598783468.db2.gz MRAMLACMUNGORR-OAHLLOKOSA-N -1 3 396.499 3.325 20 0 GGADHM CC1CCC(CNC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000736237288 598783754 /nfs/dbraw/zinc/78/37/54/598783754.db2.gz OROPSCVYVNTXPL-UHFFFAOYSA-N -1 3 398.511 3.246 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000736481617 598783761 /nfs/dbraw/zinc/78/37/61/598783761.db2.gz YMQJNOWMDHCHQD-AWEZNQCLSA-N -1 3 380.452 3.255 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000736481617 598783763 /nfs/dbraw/zinc/78/37/63/598783763.db2.gz YMQJNOWMDHCHQD-AWEZNQCLSA-N -1 3 380.452 3.255 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737420655 598784588 /nfs/dbraw/zinc/78/45/88/598784588.db2.gz IMTQIULVWHHNEY-GOSISDBHSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737420655 598784589 /nfs/dbraw/zinc/78/45/89/598784589.db2.gz IMTQIULVWHHNEY-GOSISDBHSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000737419897 598784639 /nfs/dbraw/zinc/78/46/39/598784639.db2.gz GDRUKFXUNBAVRP-LJQANCHMSA-N -1 3 376.464 3.468 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000737419897 598784640 /nfs/dbraw/zinc/78/46/40/598784640.db2.gz GDRUKFXUNBAVRP-LJQANCHMSA-N -1 3 376.464 3.468 20 0 GGADHM Cc1ccccc1NC(=S)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737436297 598788776 /nfs/dbraw/zinc/78/87/76/598788776.db2.gz QYYPPRRZZGBEJI-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM Cc1ccccc1NC(=S)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737436297 598788777 /nfs/dbraw/zinc/78/87/77/598788777.db2.gz QYYPPRRZZGBEJI-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM Fc1ccccc1NC(=S)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737670531 598789710 /nfs/dbraw/zinc/78/97/10/598789710.db2.gz VQEPOFSSKAKEEY-UHFFFAOYSA-N -1 3 398.467 3.246 20 0 GGADHM Fc1ccccc1NC(=S)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737670531 598789712 /nfs/dbraw/zinc/78/97/12/598789712.db2.gz VQEPOFSSKAKEEY-UHFFFAOYSA-N -1 3 398.467 3.246 20 0 GGADHM O=C(Nc1ccc(Cl)nc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738164367 598791288 /nfs/dbraw/zinc/79/12/88/598791288.db2.gz XJDJYUSQVJDMLJ-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM Cc1ccc(CCCCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826287245 607369014 /nfs/dbraw/zinc/36/90/14/607369014.db2.gz IGTAQYSBVCGGAT-UHFFFAOYSA-N -1 3 378.432 3.314 20 0 GGADHM Cc1ccc(CCCCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826287245 607369016 /nfs/dbraw/zinc/36/90/16/607369016.db2.gz IGTAQYSBVCGGAT-UHFFFAOYSA-N -1 3 378.432 3.314 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736425616 598794068 /nfs/dbraw/zinc/79/40/68/598794068.db2.gz VVZOEJQLSVLNOU-CHWSQXEVSA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736425616 598794069 /nfs/dbraw/zinc/79/40/69/598794069.db2.gz VVZOEJQLSVLNOU-CHWSQXEVSA-N -1 3 376.892 3.041 20 0 GGADHM CCC(CC)C(=O)N1CCC(Nc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736337039 598794071 /nfs/dbraw/zinc/79/40/71/598794071.db2.gz HEQVFQASGZVUBB-UHFFFAOYSA-N -1 3 376.892 3.359 20 0 GGADHM CCC(CC)C(=O)N1CCC(Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736337039 598794072 /nfs/dbraw/zinc/79/40/72/598794072.db2.gz HEQVFQASGZVUBB-UHFFFAOYSA-N -1 3 376.892 3.359 20 0 GGADHM Cc1ccc(NC(=O)C2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)nc1 ZINC000737357264 598795053 /nfs/dbraw/zinc/79/50/53/598795053.db2.gz XHVOQQMYYNKNFS-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM Cc1ccc(NC(=O)C2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)nc1 ZINC000737357264 598795056 /nfs/dbraw/zinc/79/50/56/598795056.db2.gz XHVOQQMYYNKNFS-UHFFFAOYSA-N -1 3 397.870 3.079 20 0 GGADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)c(OC)c1OC ZINC000737090290 598796064 /nfs/dbraw/zinc/79/60/64/598796064.db2.gz MALQDYVXRSGTQY-UHFFFAOYSA-N -1 3 389.843 3.201 20 0 GGADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)c(OC)c1OC ZINC000737090290 598796065 /nfs/dbraw/zinc/79/60/65/598796065.db2.gz MALQDYVXRSGTQY-UHFFFAOYSA-N -1 3 389.843 3.201 20 0 GGADHM C[C@H](OC(=O)Cc1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000736155461 598798625 /nfs/dbraw/zinc/79/86/25/598798625.db2.gz OEABMRXNTOYOSA-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM C[C@H](OC(=O)Cc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000736155461 598798627 /nfs/dbraw/zinc/79/86/27/598798627.db2.gz OEABMRXNTOYOSA-NSHDSACASA-N -1 3 387.237 3.476 20 0 GGADHM O=C(O[C@@H]1CCSC1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000738212086 598799830 /nfs/dbraw/zinc/79/98/30/598799830.db2.gz BZCLBYAYEHQZCO-MRXNPFEDSA-N -1 3 382.445 3.108 20 0 GGADHM O=C(O[C@@H]1CCSC1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000738212086 598799832 /nfs/dbraw/zinc/79/98/32/598799832.db2.gz BZCLBYAYEHQZCO-MRXNPFEDSA-N -1 3 382.445 3.108 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000736633513 598800066 /nfs/dbraw/zinc/80/00/66/598800066.db2.gz CBVIHMJUNRRHIC-ZDUSSCGKSA-N -1 3 396.451 3.027 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000736633513 598800067 /nfs/dbraw/zinc/80/00/67/598800067.db2.gz CBVIHMJUNRRHIC-ZDUSSCGKSA-N -1 3 396.451 3.027 20 0 GGADHM O=C(NC/C=C/c1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738051145 598800588 /nfs/dbraw/zinc/80/05/88/598800588.db2.gz JKBVQQJPMMNJCB-QPJJXVBHSA-N -1 3 386.362 3.303 20 0 GGADHM O=C(NC/C=C/c1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738051145 598800590 /nfs/dbraw/zinc/80/05/90/598800590.db2.gz JKBVQQJPMMNJCB-QPJJXVBHSA-N -1 3 386.362 3.303 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736174287 598802474 /nfs/dbraw/zinc/80/24/74/598802474.db2.gz MQUIEMKVWGLNFT-LLVKDONJSA-N -1 3 389.818 3.085 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736174287 598802475 /nfs/dbraw/zinc/80/24/75/598802475.db2.gz MQUIEMKVWGLNFT-LLVKDONJSA-N -1 3 389.818 3.085 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736174277 598802480 /nfs/dbraw/zinc/80/24/80/598802480.db2.gz MIYQTGFHPZCFRT-QWRGUYRKSA-N -1 3 389.818 3.304 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736174277 598802481 /nfs/dbraw/zinc/80/24/81/598802481.db2.gz MIYQTGFHPZCFRT-QWRGUYRKSA-N -1 3 389.818 3.304 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCc1csc(C)n1 ZINC000736628578 598803220 /nfs/dbraw/zinc/80/32/20/598803220.db2.gz PUNWAQDVQXSPKE-UHFFFAOYSA-N -1 3 393.856 3.222 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCc1csc(C)n1 ZINC000736628578 598803222 /nfs/dbraw/zinc/80/32/22/598803222.db2.gz PUNWAQDVQXSPKE-UHFFFAOYSA-N -1 3 393.856 3.222 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000735830463 598803433 /nfs/dbraw/zinc/80/34/33/598803433.db2.gz FVMLPPJTZQJVJU-VQIMIIECSA-N -1 3 385.512 3.447 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000735830463 598803435 /nfs/dbraw/zinc/80/34/35/598803435.db2.gz FVMLPPJTZQJVJU-VQIMIIECSA-N -1 3 385.512 3.447 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736172665 598803857 /nfs/dbraw/zinc/80/38/57/598803857.db2.gz BOBQGDISTLJILH-JTQLQIEISA-N -1 3 375.791 3.090 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736172665 598803859 /nfs/dbraw/zinc/80/38/59/598803859.db2.gz BOBQGDISTLJILH-JTQLQIEISA-N -1 3 375.791 3.090 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736187888 598805858 /nfs/dbraw/zinc/80/58/58/598805858.db2.gz KCSGPASIDVLTAM-ZDUSSCGKSA-N -1 3 379.420 3.062 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736187888 598805859 /nfs/dbraw/zinc/80/58/59/598805859.db2.gz KCSGPASIDVLTAM-ZDUSSCGKSA-N -1 3 379.420 3.062 20 0 GGADHM CCC(=CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736303707 598808843 /nfs/dbraw/zinc/80/88/43/598808843.db2.gz JVFRNBSDCYKHTK-PFONDFGASA-N -1 3 385.431 3.485 20 0 GGADHM O=C(CCc1ccc(Cl)cc1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737854587 598809160 /nfs/dbraw/zinc/80/91/60/598809160.db2.gz SLHAVKIJTUJXBU-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000735737140 598809753 /nfs/dbraw/zinc/80/97/53/598809753.db2.gz ZLIKTRJEJCFHSX-SFHVURJKSA-N -1 3 376.420 3.390 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000735737140 598809754 /nfs/dbraw/zinc/80/97/54/598809754.db2.gz ZLIKTRJEJCFHSX-SFHVURJKSA-N -1 3 376.420 3.390 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117167 598816790 /nfs/dbraw/zinc/81/67/90/598816790.db2.gz DTVXSVPRWMVITH-CYBMUJFWSA-N -1 3 376.395 3.288 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117167 598816791 /nfs/dbraw/zinc/81/67/91/598816791.db2.gz DTVXSVPRWMVITH-CYBMUJFWSA-N -1 3 376.395 3.288 20 0 GGADHM C[C@@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112128 598821563 /nfs/dbraw/zinc/82/15/63/598821563.db2.gz QDBXCNHSEBUBEG-GFCCVEGCSA-N -1 3 392.394 3.081 20 0 GGADHM C[C@@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112128 598821564 /nfs/dbraw/zinc/82/15/64/598821564.db2.gz QDBXCNHSEBUBEG-GFCCVEGCSA-N -1 3 392.394 3.081 20 0 GGADHM C[C@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112130 598821610 /nfs/dbraw/zinc/82/16/10/598821610.db2.gz QDBXCNHSEBUBEG-LBPRGKRZSA-N -1 3 392.394 3.081 20 0 GGADHM C[C@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112130 598821612 /nfs/dbraw/zinc/82/16/12/598821612.db2.gz QDBXCNHSEBUBEG-LBPRGKRZSA-N -1 3 392.394 3.081 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Br)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737955511 598822188 /nfs/dbraw/zinc/82/21/88/598822188.db2.gz IXICNILWDGEGPM-UHFFFAOYSA-N -1 3 393.628 3.431 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Br)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737955511 598822189 /nfs/dbraw/zinc/82/21/89/598822189.db2.gz IXICNILWDGEGPM-UHFFFAOYSA-N -1 3 393.628 3.431 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Br)Nc1ccccc1-c1nnn[n-]1 ZINC000737956117 598822203 /nfs/dbraw/zinc/82/22/03/598822203.db2.gz VLWGBIYFTIBBGE-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Br)Nc1ccccc1-c1nn[n-]n1 ZINC000737956117 598822204 /nfs/dbraw/zinc/82/22/04/598822204.db2.gz VLWGBIYFTIBBGE-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)[C@H]1CSc2ccccc21 ZINC000738085710 599292995 /nfs/dbraw/zinc/29/29/95/599292995.db2.gz MCXKBLBUCRJPDC-INIZCTEOSA-N -1 3 397.529 3.106 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)[C@H]1CSc2ccccc21 ZINC000738085710 599292996 /nfs/dbraw/zinc/29/29/96/599292996.db2.gz MCXKBLBUCRJPDC-INIZCTEOSA-N -1 3 397.529 3.106 20 0 GGADHM O=C(NCc1cocn1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823265593 599298024 /nfs/dbraw/zinc/29/80/24/599298024.db2.gz BBKXWWQJBQDXNV-UHFFFAOYSA-N -1 3 395.354 3.108 20 0 GGADHM O=C(NCc1cocn1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823265593 599298027 /nfs/dbraw/zinc/29/80/27/599298027.db2.gz BBKXWWQJBQDXNV-UHFFFAOYSA-N -1 3 395.354 3.108 20 0 GGADHM c1ccc(CCc2noc(CSCc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000823780100 599300631 /nfs/dbraw/zinc/30/06/31/599300631.db2.gz OBWFVWHRMUTPMW-UHFFFAOYSA-N -1 3 378.461 3.468 20 0 GGADHM c1ccc(CCc2noc(CSCc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000823780100 599300634 /nfs/dbraw/zinc/30/06/34/599300634.db2.gz OBWFVWHRMUTPMW-UHFFFAOYSA-N -1 3 378.461 3.468 20 0 GGADHM CC(C)(CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735670128 599300639 /nfs/dbraw/zinc/30/06/39/599300639.db2.gz DVOVUUSPVNJTDF-UHFFFAOYSA-N -1 3 399.495 3.333 20 0 GGADHM CC(C)(CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735670128 599300641 /nfs/dbraw/zinc/30/06/41/599300641.db2.gz DVOVUUSPVNJTDF-UHFFFAOYSA-N -1 3 399.495 3.333 20 0 GGADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736304471 599301625 /nfs/dbraw/zinc/30/16/25/599301625.db2.gz WDXNTKCUDJIEPK-KGLIPLIRSA-N -1 3 379.489 3.500 20 0 GGADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736304471 599301628 /nfs/dbraw/zinc/30/16/28/599301628.db2.gz WDXNTKCUDJIEPK-KGLIPLIRSA-N -1 3 379.489 3.500 20 0 GGADHM Cc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000737288134 599308187 /nfs/dbraw/zinc/30/81/87/599308187.db2.gz KKMDJZINXVNDPT-UHFFFAOYSA-N -1 3 380.433 3.477 20 0 GGADHM Cc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000737288134 599308190 /nfs/dbraw/zinc/30/81/90/599308190.db2.gz KKMDJZINXVNDPT-UHFFFAOYSA-N -1 3 380.433 3.477 20 0 GGADHM CCN(C(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504140 599310719 /nfs/dbraw/zinc/31/07/19/599310719.db2.gz ABTHGCBBSCUOGT-UHFFFAOYSA-N -1 3 387.447 3.038 20 0 GGADHM CCN(C(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504140 599310721 /nfs/dbraw/zinc/31/07/21/599310721.db2.gz ABTHGCBBSCUOGT-UHFFFAOYSA-N -1 3 387.447 3.038 20 0 GGADHM CCN(C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507198 599312831 /nfs/dbraw/zinc/31/28/31/599312831.db2.gz BODZXTXCHJWEIM-ACJLOTCBSA-N -1 3 390.447 3.128 20 0 GGADHM CCN(C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507198 599312834 /nfs/dbraw/zinc/31/28/34/599312834.db2.gz BODZXTXCHJWEIM-ACJLOTCBSA-N -1 3 390.447 3.128 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NS(=O)(=O)C=Cc1ccccc1 ZINC000736489371 599313601 /nfs/dbraw/zinc/31/36/01/599313601.db2.gz YTLLJFGGGJCEMH-ZRDIBKRKSA-N -1 3 384.465 3.101 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c2)o1 ZINC000737524615 599314576 /nfs/dbraw/zinc/31/45/76/599314576.db2.gz ONPSCIWGJQXANG-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c2)o1 ZINC000737524615 599314579 /nfs/dbraw/zinc/31/45/79/599314579.db2.gz ONPSCIWGJQXANG-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCCS1 ZINC000823350435 599320932 /nfs/dbraw/zinc/32/09/32/599320932.db2.gz MZIAXBPJJFWZPE-QGZVFWFLSA-N -1 3 381.461 3.280 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCCS1 ZINC000823350435 599320934 /nfs/dbraw/zinc/32/09/34/599320934.db2.gz MZIAXBPJJFWZPE-QGZVFWFLSA-N -1 3 381.461 3.280 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735636099 599322107 /nfs/dbraw/zinc/32/21/07/599322107.db2.gz OTSWNKZPQBTLDS-MFKMUULPSA-N -1 3 393.879 3.020 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735636099 599322109 /nfs/dbraw/zinc/32/21/09/599322109.db2.gz OTSWNKZPQBTLDS-MFKMUULPSA-N -1 3 393.879 3.020 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000735635378 599322216 /nfs/dbraw/zinc/32/22/16/599322216.db2.gz CNYCNAZGVQFBBY-AAEUAGOBSA-N -1 3 376.436 3.111 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000735635378 599322219 /nfs/dbraw/zinc/32/22/19/599322219.db2.gz CNYCNAZGVQFBBY-AAEUAGOBSA-N -1 3 376.436 3.111 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735488384 599327895 /nfs/dbraw/zinc/32/78/95/599327895.db2.gz LIMJYLXYBFVNAL-GFCCVEGCSA-N -1 3 396.476 3.258 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735488384 599327898 /nfs/dbraw/zinc/32/78/98/599327898.db2.gz LIMJYLXYBFVNAL-GFCCVEGCSA-N -1 3 396.476 3.258 20 0 GGADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826414668 607369369 /nfs/dbraw/zinc/36/93/69/607369369.db2.gz DYLOVYQNCCHONU-CVEARBPZSA-N -1 3 382.807 3.050 20 0 GGADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826414668 607369372 /nfs/dbraw/zinc/36/93/72/607369372.db2.gz DYLOVYQNCCHONU-CVEARBPZSA-N -1 3 382.807 3.050 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736310184 599330411 /nfs/dbraw/zinc/33/04/11/599330411.db2.gz WBFDIESYJTYWHQ-UHFFFAOYSA-N -1 3 386.843 3.360 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736310184 599330414 /nfs/dbraw/zinc/33/04/14/599330414.db2.gz WBFDIESYJTYWHQ-UHFFFAOYSA-N -1 3 386.843 3.360 20 0 GGADHM O=C(c1ccc(CNc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCCCC1 ZINC000823488508 599330884 /nfs/dbraw/zinc/33/08/84/599330884.db2.gz OWTRXZGHCZMQCV-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM O=C(c1ccc(CNc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000823488508 599330886 /nfs/dbraw/zinc/33/08/86/599330886.db2.gz OWTRXZGHCZMQCV-UHFFFAOYSA-N -1 3 380.427 3.244 20 0 GGADHM O=C(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 ZINC000737895728 599331072 /nfs/dbraw/zinc/33/10/72/599331072.db2.gz RFNUBTFOJCOVOU-UHFFFAOYSA-N -1 3 398.295 3.214 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 ZINC000737895728 599331075 /nfs/dbraw/zinc/33/10/75/599331075.db2.gz RFNUBTFOJCOVOU-UHFFFAOYSA-N -1 3 398.295 3.214 20 0 GGADHM O=C(CNc1ccc(OC2CCCC2)c(F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737898399 599331702 /nfs/dbraw/zinc/33/17/02/599331702.db2.gz KAJKSJNVFRYGMA-UHFFFAOYSA-N -1 3 396.426 3.378 20 0 GGADHM O=C(CNc1ccc(OC2CCCC2)c(F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737898399 599331704 /nfs/dbraw/zinc/33/17/04/599331704.db2.gz KAJKSJNVFRYGMA-UHFFFAOYSA-N -1 3 396.426 3.378 20 0 GGADHM C[C@H](NC(=O)NCC(C)(C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117649 599332470 /nfs/dbraw/zinc/33/24/70/599332470.db2.gz JGDPORWEFAJIDQ-ZDUSSCGKSA-N -1 3 382.443 3.344 20 0 GGADHM C[C@H](NC(=O)NCC(C)(C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117649 599332472 /nfs/dbraw/zinc/33/24/72/599332472.db2.gz JGDPORWEFAJIDQ-ZDUSSCGKSA-N -1 3 382.443 3.344 20 0 GGADHM Cc1cc(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1C(F)(F)F ZINC000737274607 599332655 /nfs/dbraw/zinc/33/26/55/599332655.db2.gz OWGBBJCAAQZHLO-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM Cc1cc(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1C(F)(F)F ZINC000737274607 599332658 /nfs/dbraw/zinc/33/26/58/599332658.db2.gz OWGBBJCAAQZHLO-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM CC(=CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000823944121 607369553 /nfs/dbraw/zinc/36/95/53/607369553.db2.gz XXAXIBYJUODHPU-FMIVXFBMSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000823944121 607369555 /nfs/dbraw/zinc/36/95/55/607369555.db2.gz XXAXIBYJUODHPU-FMIVXFBMSA-N -1 3 382.807 3.350 20 0 GGADHM CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819906330 599339865 /nfs/dbraw/zinc/33/98/65/599339865.db2.gz DZUBIZFHAOTZPK-GFCCVEGCSA-N -1 3 383.905 3.109 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1OC1CCC1 ZINC000736041211 599339971 /nfs/dbraw/zinc/33/99/71/599339971.db2.gz UMNZRYXXIQBQPA-CQSZACIVSA-N -1 3 394.431 3.422 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1OC1CCC1 ZINC000736041211 599339973 /nfs/dbraw/zinc/33/99/73/599339973.db2.gz UMNZRYXXIQBQPA-CQSZACIVSA-N -1 3 394.431 3.422 20 0 GGADHM CC(C)(C)C(=O)c1ccsc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735590080 599341375 /nfs/dbraw/zinc/34/13/75/599341375.db2.gz UAOPWJNBRSOKEI-UHFFFAOYSA-N -1 3 385.449 3.175 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000736184863 599341814 /nfs/dbraw/zinc/34/18/14/599341814.db2.gz OLQDEYJZRORZCG-LBPRGKRZSA-N -1 3 392.444 3.396 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000736184863 599341819 /nfs/dbraw/zinc/34/18/19/599341819.db2.gz OLQDEYJZRORZCG-LBPRGKRZSA-N -1 3 392.444 3.396 20 0 GGADHM O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737954155 599343232 /nfs/dbraw/zinc/34/32/32/599343232.db2.gz HQSTYYQOFIQBSM-UHFFFAOYSA-N -1 3 380.795 3.356 20 0 GGADHM O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737954155 599343234 /nfs/dbraw/zinc/34/32/34/599343234.db2.gz HQSTYYQOFIQBSM-UHFFFAOYSA-N -1 3 380.795 3.356 20 0 GGADHM CCOC(=O)c1ccccc1N(CC)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736602222 599344391 /nfs/dbraw/zinc/34/43/91/599344391.db2.gz JAXNWXJYUBCGMI-BUHFOSPRSA-N -1 3 391.431 3.110 20 0 GGADHM CCOC(=O)c1ccccc1N(CC)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736602222 599344392 /nfs/dbraw/zinc/34/43/92/599344392.db2.gz JAXNWXJYUBCGMI-BUHFOSPRSA-N -1 3 391.431 3.110 20 0 GGADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000823601283 599345749 /nfs/dbraw/zinc/34/57/49/599345749.db2.gz ZAVFEXFWTHXAFV-KRWDZBQOSA-N -1 3 393.900 3.031 20 0 GGADHM O=C(NCC1(O)CCCCCC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738040167 599346668 /nfs/dbraw/zinc/34/66/68/599346668.db2.gz PEAHJWRNPWBCBL-UHFFFAOYSA-N -1 3 391.475 3.349 20 0 GGADHM O=C(NCC1(O)CCCCCC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738040167 599346672 /nfs/dbraw/zinc/34/66/72/599346672.db2.gz PEAHJWRNPWBCBL-UHFFFAOYSA-N -1 3 391.475 3.349 20 0 GGADHM COc1ccccc1[C@@H](C)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821882530 599348258 /nfs/dbraw/zinc/34/82/58/599348258.db2.gz DBPIDHPWEGGPPL-CYBMUJFWSA-N -1 3 383.477 3.187 20 0 GGADHM COc1ccccc1[C@@H](C)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821882530 599348261 /nfs/dbraw/zinc/34/82/61/599348261.db2.gz DBPIDHPWEGGPPL-CYBMUJFWSA-N -1 3 383.477 3.187 20 0 GGADHM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000822233595 599350077 /nfs/dbraw/zinc/35/00/77/599350077.db2.gz RSUOGZMJCUTUNK-GOSISDBHSA-N -1 3 397.504 3.399 20 0 GGADHM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822233595 599350078 /nfs/dbraw/zinc/35/00/78/599350078.db2.gz RSUOGZMJCUTUNK-GOSISDBHSA-N -1 3 397.504 3.399 20 0 GGADHM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233498 599350096 /nfs/dbraw/zinc/35/00/96/599350096.db2.gz QEBFGHQIGDHSOD-GOSISDBHSA-N -1 3 383.477 3.091 20 0 GGADHM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233498 599350099 /nfs/dbraw/zinc/35/00/99/599350099.db2.gz QEBFGHQIGDHSOD-GOSISDBHSA-N -1 3 383.477 3.091 20 0 GGADHM Cc1ccccc1CN(C)C(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822355963 607373534 /nfs/dbraw/zinc/37/35/34/607373534.db2.gz DQWHDRCLPGSVNQ-UHFFFAOYSA-N -1 3 394.479 3.033 20 0 GGADHM Cc1ccccc1CN(C)C(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822355963 607373536 /nfs/dbraw/zinc/37/35/36/607373536.db2.gz DQWHDRCLPGSVNQ-UHFFFAOYSA-N -1 3 394.479 3.033 20 0 GGADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccccc1C(F)(F)F ZINC000822135469 599360000 /nfs/dbraw/zinc/36/00/00/599360000.db2.gz BIYWFMPDGZIUGD-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccccc1C(F)(F)F ZINC000822135469 599360001 /nfs/dbraw/zinc/36/00/01/599360001.db2.gz BIYWFMPDGZIUGD-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1ccc2ncccc2c1S(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C ZINC000822136949 599360035 /nfs/dbraw/zinc/36/00/35/599360035.db2.gz QMGSXUYTRDOLGB-UHFFFAOYSA-N -1 3 395.444 3.108 20 0 GGADHM Cc1ccc2ncccc2c1S(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822136949 599360037 /nfs/dbraw/zinc/36/00/37/599360037.db2.gz QMGSXUYTRDOLGB-UHFFFAOYSA-N -1 3 395.444 3.108 20 0 GGADHM Brc1ccc(N2CCO[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000735368935 599361382 /nfs/dbraw/zinc/36/13/82/599361382.db2.gz PWFLZBUGGYIMJX-INIZCTEOSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1ccc(N2CCO[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735368935 599361385 /nfs/dbraw/zinc/36/13/85/599361385.db2.gz PWFLZBUGGYIMJX-INIZCTEOSA-N -1 3 386.253 3.207 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820912950 599362598 /nfs/dbraw/zinc/36/25/98/599362598.db2.gz AHCIWRJKBSDBPJ-SFHVURJKSA-N -1 3 399.520 3.207 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820912950 599362599 /nfs/dbraw/zinc/36/25/99/599362599.db2.gz AHCIWRJKBSDBPJ-SFHVURJKSA-N -1 3 399.520 3.207 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000736169463 599365654 /nfs/dbraw/zinc/36/56/54/599365654.db2.gz NPFQTFYALWYJDS-LBPRGKRZSA-N -1 3 381.440 3.044 20 0 GGADHM C[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455695 599367717 /nfs/dbraw/zinc/36/77/17/599367717.db2.gz LRXPHMIXBJPJMF-ZDUSSCGKSA-N -1 3 376.420 3.083 20 0 GGADHM C[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455695 599367719 /nfs/dbraw/zinc/36/77/19/599367719.db2.gz LRXPHMIXBJPJMF-ZDUSSCGKSA-N -1 3 376.420 3.083 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cc(-c2ccccc2)on1 ZINC000736628644 599372044 /nfs/dbraw/zinc/37/20/44/599372044.db2.gz SBFGQDOXFTYHOO-UHFFFAOYSA-N -1 3 391.387 3.069 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cc(-c2ccccc2)on1 ZINC000736628644 599372047 /nfs/dbraw/zinc/37/20/47/599372047.db2.gz SBFGQDOXFTYHOO-UHFFFAOYSA-N -1 3 391.387 3.069 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccc(Cl)cn1 ZINC000738176286 599373013 /nfs/dbraw/zinc/37/30/13/599373013.db2.gz XCIGCRISSJJYSH-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccc(Cl)cn1 ZINC000738176286 599373016 /nfs/dbraw/zinc/37/30/16/599373016.db2.gz XCIGCRISSJJYSH-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM CCc1ccc(CCNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736682237 599376044 /nfs/dbraw/zinc/37/60/44/599376044.db2.gz IZCPCMIBPQDXAK-UHFFFAOYSA-N -1 3 381.505 3.021 20 0 GGADHM CCc1ccc(CCNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736682237 599376046 /nfs/dbraw/zinc/37/60/46/599376046.db2.gz IZCPCMIBPQDXAK-UHFFFAOYSA-N -1 3 381.505 3.021 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(c2ccccc2F)CC1 ZINC000736171303 599377830 /nfs/dbraw/zinc/37/78/30/599377830.db2.gz VJQXGHRZZAHGGH-AWEZNQCLSA-N -1 3 395.438 3.179 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736964552 599379200 /nfs/dbraw/zinc/37/92/00/599379200.db2.gz YQLFDIOOGVCPDA-VRZAGBEVSA-N -1 3 397.866 3.426 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736964552 599379202 /nfs/dbraw/zinc/37/92/02/599379202.db2.gz YQLFDIOOGVCPDA-VRZAGBEVSA-N -1 3 397.866 3.426 20 0 GGADHM CSCC[C@H](C)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737175863 599382592 /nfs/dbraw/zinc/38/25/92/599382592.db2.gz IRGRNHMWCKUOID-AWEZNQCLSA-N -1 3 377.514 3.016 20 0 GGADHM CSCC[C@H](C)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737175863 599382594 /nfs/dbraw/zinc/38/25/94/599382594.db2.gz IRGRNHMWCKUOID-AWEZNQCLSA-N -1 3 377.514 3.016 20 0 GGADHM CCC[C@@H]1SCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736433739 599383665 /nfs/dbraw/zinc/38/36/65/599383665.db2.gz ALMWSYGQUMACAV-KRWDZBQOSA-N -1 3 396.476 3.369 20 0 GGADHM CCC[C@@H]1SCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736433739 599383668 /nfs/dbraw/zinc/38/36/68/599383668.db2.gz ALMWSYGQUMACAV-KRWDZBQOSA-N -1 3 396.476 3.369 20 0 GGADHM CCC[C@H]1SCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736433740 599384104 /nfs/dbraw/zinc/38/41/04/599384104.db2.gz ALMWSYGQUMACAV-QGZVFWFLSA-N -1 3 396.476 3.369 20 0 GGADHM CCC[C@H]1SCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736433740 599384107 /nfs/dbraw/zinc/38/41/07/599384107.db2.gz ALMWSYGQUMACAV-QGZVFWFLSA-N -1 3 396.476 3.369 20 0 GGADHM CCC(CC)(CN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887474 599384625 /nfs/dbraw/zinc/38/46/25/599384625.db2.gz DTMPFNQSIPBZEU-LJQANCHMSA-N -1 3 393.491 3.428 20 0 GGADHM CCC(CC)(CN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887474 599384629 /nfs/dbraw/zinc/38/46/29/599384629.db2.gz DTMPFNQSIPBZEU-LJQANCHMSA-N -1 3 393.491 3.428 20 0 GGADHM Cc1ccc(Nc2cccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2)nn1 ZINC000737361590 599384758 /nfs/dbraw/zinc/38/47/58/599384758.db2.gz KQMMVRUXQKBMHI-UHFFFAOYSA-N -1 3 390.382 3.100 20 0 GGADHM Cc1ccc(Nc2cccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2)nn1 ZINC000737361590 599384761 /nfs/dbraw/zinc/38/47/61/599384761.db2.gz KQMMVRUXQKBMHI-UHFFFAOYSA-N -1 3 390.382 3.100 20 0 GGADHM COc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2OC)c2ccccc12 ZINC000821701920 599389134 /nfs/dbraw/zinc/38/91/34/599389134.db2.gz AOTRMNJXQOYEDN-UHFFFAOYSA-N -1 3 392.415 3.495 20 0 GGADHM COc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2OC)c2ccccc12 ZINC000821701920 599389137 /nfs/dbraw/zinc/38/91/37/599389137.db2.gz AOTRMNJXQOYEDN-UHFFFAOYSA-N -1 3 392.415 3.495 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000822130513 599389670 /nfs/dbraw/zinc/38/96/70/599389670.db2.gz UMIAZVWQJJFEDC-LJQANCHMSA-N -1 3 379.464 3.376 20 0 GGADHM C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402442 599390831 /nfs/dbraw/zinc/39/08/31/599390831.db2.gz DKWOQNCWRNIJJF-JXFKEZNVSA-N -1 3 390.491 3.271 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820174176 607372277 /nfs/dbraw/zinc/37/22/77/607372277.db2.gz OQLHECZZZJHSBL-UHFFFAOYSA-N -1 3 392.463 3.045 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820174176 607372279 /nfs/dbraw/zinc/37/22/79/607372279.db2.gz OQLHECZZZJHSBL-UHFFFAOYSA-N -1 3 392.463 3.045 20 0 GGADHM Clc1ccccc1N1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000737582779 599393213 /nfs/dbraw/zinc/39/32/13/599393213.db2.gz FDENMXUCABERQD-UHFFFAOYSA-N -1 3 391.866 3.395 20 0 GGADHM Clc1ccccc1N1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737582779 599393215 /nfs/dbraw/zinc/39/32/15/599393215.db2.gz FDENMXUCABERQD-UHFFFAOYSA-N -1 3 391.866 3.395 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cccc1Br ZINC000821732923 607373304 /nfs/dbraw/zinc/37/33/04/607373304.db2.gz XJCHHUUPKAHWJE-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cccc1Br ZINC000821732923 607373306 /nfs/dbraw/zinc/37/33/06/607373306.db2.gz XJCHHUUPKAHWJE-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM Cc1ccc(CCCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822236250 599399843 /nfs/dbraw/zinc/39/98/43/599399843.db2.gz QOLNTULVGHNBTN-MRXNPFEDSA-N -1 3 378.480 3.477 20 0 GGADHM Cc1ccc(CCCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822236250 599399846 /nfs/dbraw/zinc/39/98/46/599399846.db2.gz QOLNTULVGHNBTN-MRXNPFEDSA-N -1 3 378.480 3.477 20 0 GGADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826414670 607369238 /nfs/dbraw/zinc/36/92/38/607369238.db2.gz DYLOVYQNCCHONU-HZPDHXFCSA-N -1 3 382.807 3.050 20 0 GGADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826414670 607369240 /nfs/dbraw/zinc/36/92/40/607369240.db2.gz DYLOVYQNCCHONU-HZPDHXFCSA-N -1 3 382.807 3.050 20 0 GGADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000820431264 599403333 /nfs/dbraw/zinc/40/33/33/599403333.db2.gz CUGVXNLDVMTBOC-CQSZACIVSA-N -1 3 376.420 3.285 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357133 599406386 /nfs/dbraw/zinc/40/63/86/599406386.db2.gz FAKJDPCIIYXTOE-LEWSCRJBSA-N -1 3 382.390 3.348 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357133 599406388 /nfs/dbraw/zinc/40/63/88/599406388.db2.gz FAKJDPCIIYXTOE-LEWSCRJBSA-N -1 3 382.390 3.348 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(-c3cccc(F)c3)o2)cc1-c1nnn[n-]1 ZINC000820174740 607374372 /nfs/dbraw/zinc/37/43/72/607374372.db2.gz XALZDHNAXVNHPB-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CC(C)Oc1ccc(NCc2nnc(-c3cccc(F)c3)o2)cc1-c1nn[n-]n1 ZINC000820174740 607374373 /nfs/dbraw/zinc/37/43/73/607374373.db2.gz XALZDHNAXVNHPB-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820664792 599409599 /nfs/dbraw/zinc/40/95/99/599409599.db2.gz CADVINXEVQXVQU-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820664792 599409603 /nfs/dbraw/zinc/40/96/03/599409603.db2.gz CADVINXEVQXVQU-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM CCCOCc1ccccc1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821127089 599411942 /nfs/dbraw/zinc/41/19/42/599411942.db2.gz AYKOXKAJOXLIIG-OAHLLOKOSA-N -1 3 394.479 3.354 20 0 GGADHM CCCOCc1ccccc1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821127089 599411944 /nfs/dbraw/zinc/41/19/44/599411944.db2.gz AYKOXKAJOXLIIG-OAHLLOKOSA-N -1 3 394.479 3.354 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825705140 607374963 /nfs/dbraw/zinc/37/49/63/607374963.db2.gz WXZCJRVLYJPRNV-CQSZACIVSA-N -1 3 378.432 3.349 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825705140 607374964 /nfs/dbraw/zinc/37/49/64/607374964.db2.gz WXZCJRVLYJPRNV-CQSZACIVSA-N -1 3 378.432 3.349 20 0 GGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820155377 599416563 /nfs/dbraw/zinc/41/65/63/599416563.db2.gz PGNVSZMBUOWSAM-CYBMUJFWSA-N -1 3 398.442 3.353 20 0 GGADHM CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820155377 599416566 /nfs/dbraw/zinc/41/65/66/599416566.db2.gz PGNVSZMBUOWSAM-CYBMUJFWSA-N -1 3 398.442 3.353 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccc(F)cc2)cc1 ZINC000821777597 599416969 /nfs/dbraw/zinc/41/69/69/599416969.db2.gz JGPIJMLIVWZHFU-IBGZPJMESA-N -1 3 379.395 3.487 20 0 GGADHM COc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccc(F)cc2)cc1 ZINC000821777597 599416971 /nfs/dbraw/zinc/41/69/71/599416971.db2.gz JGPIJMLIVWZHFU-IBGZPJMESA-N -1 3 379.395 3.487 20 0 GGADHM C[C@@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820741429 599417467 /nfs/dbraw/zinc/41/74/67/599417467.db2.gz DCVUXNJSEOFZOT-BEFAXECRSA-N -1 3 376.464 3.202 20 0 GGADHM C[C@@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820741429 599417469 /nfs/dbraw/zinc/41/74/69/599417469.db2.gz DCVUXNJSEOFZOT-BEFAXECRSA-N -1 3 376.464 3.202 20 0 GGADHM O=C(Nc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)c1)C1CCCCC1 ZINC000823363892 599418519 /nfs/dbraw/zinc/41/85/19/599418519.db2.gz QMLQOXSKRDDSPK-UHFFFAOYSA-N -1 3 380.452 3.268 20 0 GGADHM O=C(Nc1cccc(CNCc2ccc(-c3nn[n-]n3)o2)c1)C1CCCCC1 ZINC000823363892 599418522 /nfs/dbraw/zinc/41/85/22/599418522.db2.gz QMLQOXSKRDDSPK-UHFFFAOYSA-N -1 3 380.452 3.268 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824141061 607375930 /nfs/dbraw/zinc/37/59/30/607375930.db2.gz CARMGYWDZSNWHN-CMDGGOBGSA-N -1 3 397.460 3.060 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824141061 607375932 /nfs/dbraw/zinc/37/59/32/607375932.db2.gz CARMGYWDZSNWHN-CMDGGOBGSA-N -1 3 397.460 3.060 20 0 GGADHM C[C@@H](CCNc1cc(-c2nnn[n-]2)c2ccccc2n1)NC(=O)OC(C)(C)C ZINC000735984247 599421582 /nfs/dbraw/zinc/42/15/82/599421582.db2.gz ABJQYZGKCCSWEI-LBPRGKRZSA-N -1 3 383.456 3.130 20 0 GGADHM C[C@@H](CCNc1cc(-c2nn[n-]n2)c2ccccc2n1)NC(=O)OC(C)(C)C ZINC000735984247 599421587 /nfs/dbraw/zinc/42/15/87/599421587.db2.gz ABJQYZGKCCSWEI-LBPRGKRZSA-N -1 3 383.456 3.130 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736447210 599421821 /nfs/dbraw/zinc/42/18/21/599421821.db2.gz OXLZBCWAZPLHAG-CQSZACIVSA-N -1 3 390.919 3.433 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736447210 599421823 /nfs/dbraw/zinc/42/18/23/599421823.db2.gz OXLZBCWAZPLHAG-CQSZACIVSA-N -1 3 390.919 3.433 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736447208 599422069 /nfs/dbraw/zinc/42/20/69/599422069.db2.gz OXLZBCWAZPLHAG-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736447208 599422073 /nfs/dbraw/zinc/42/20/73/599422073.db2.gz OXLZBCWAZPLHAG-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM COc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790281 599425073 /nfs/dbraw/zinc/42/50/73/599425073.db2.gz MGAWRWFFHYAIMT-GJZGRUSLSA-N -1 3 394.479 3.257 20 0 GGADHM COc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790281 599425075 /nfs/dbraw/zinc/42/50/75/599425075.db2.gz MGAWRWFFHYAIMT-GJZGRUSLSA-N -1 3 394.479 3.257 20 0 GGADHM C[C@H](NC(=O)NCCc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368144 599425079 /nfs/dbraw/zinc/42/50/79/599425079.db2.gz WRZYSFCVSZKQOA-AWEZNQCLSA-N -1 3 387.447 3.018 20 0 GGADHM C[C@H](NC(=O)NCCc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368144 599425080 /nfs/dbraw/zinc/42/50/80/599425080.db2.gz WRZYSFCVSZKQOA-AWEZNQCLSA-N -1 3 387.447 3.018 20 0 GGADHM C[C@@H](O)CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820473788 599425102 /nfs/dbraw/zinc/42/51/02/599425102.db2.gz LVIPLTPYEHVRKQ-CQSZACIVSA-N -1 3 379.464 3.061 20 0 GGADHM C[C@@H](O)CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820473788 599425104 /nfs/dbraw/zinc/42/51/04/599425104.db2.gz LVIPLTPYEHVRKQ-CQSZACIVSA-N -1 3 379.464 3.061 20 0 GGADHM CC(C)(C)OC(=O)N(CCNc1cc(-c2nnn[n-]2)c2ccccc2n1)C1CC1 ZINC000735624296 599425961 /nfs/dbraw/zinc/42/59/61/599425961.db2.gz QVPCNZIVEKIRCW-UHFFFAOYSA-N -1 3 395.467 3.226 20 0 GGADHM CC(C)(C)OC(=O)N(CCNc1cc(-c2nn[n-]n2)c2ccccc2n1)C1CC1 ZINC000735624296 599425963 /nfs/dbraw/zinc/42/59/63/599425963.db2.gz QVPCNZIVEKIRCW-UHFFFAOYSA-N -1 3 395.467 3.226 20 0 GGADHM Cc1ccc(OC[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822263301 599426004 /nfs/dbraw/zinc/42/60/04/599426004.db2.gz LBNXKCQNPMLAID-GJZGRUSLSA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccc(OC[C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822263301 599426006 /nfs/dbraw/zinc/42/60/06/599426006.db2.gz LBNXKCQNPMLAID-GJZGRUSLSA-N -1 3 380.452 3.003 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824412799 607376699 /nfs/dbraw/zinc/37/66/99/607376699.db2.gz GASPFESKRPPDMU-CYBMUJFWSA-N -1 3 382.395 3.001 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824412799 607376700 /nfs/dbraw/zinc/37/67/00/607376700.db2.gz GASPFESKRPPDMU-CYBMUJFWSA-N -1 3 382.395 3.001 20 0 GGADHM C[C@H](O)CC(C)(C)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820474052 599427193 /nfs/dbraw/zinc/42/71/93/599427193.db2.gz PPQSTIBBPCFLTD-AWEZNQCLSA-N -1 3 394.479 3.137 20 0 GGADHM Fc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)cc1F ZINC000737646834 599428596 /nfs/dbraw/zinc/42/85/96/599428596.db2.gz ACYTZCCRTWHXJK-INIZCTEOSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)cc1F ZINC000737646834 599428599 /nfs/dbraw/zinc/42/85/99/599428599.db2.gz ACYTZCCRTWHXJK-INIZCTEOSA-N -1 3 377.782 3.376 20 0 GGADHM CCc1nccn1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736706097 599431363 /nfs/dbraw/zinc/43/13/63/599431363.db2.gz SYOLHTSDTPFTLV-CYBMUJFWSA-N -1 3 391.401 3.486 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824119971 607377681 /nfs/dbraw/zinc/37/76/81/607377681.db2.gz VXJHTTPSAUSMCA-UHFFFAOYSA-N -1 3 380.404 3.084 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824119971 607377683 /nfs/dbraw/zinc/37/76/83/607377683.db2.gz VXJHTTPSAUSMCA-UHFFFAOYSA-N -1 3 380.404 3.084 20 0 GGADHM CCc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704922 607378350 /nfs/dbraw/zinc/37/83/50/607378350.db2.gz QIJDXPVUUURTGK-UHFFFAOYSA-N -1 3 378.432 3.133 20 0 GGADHM CCc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704922 607378351 /nfs/dbraw/zinc/37/83/51/607378351.db2.gz QIJDXPVUUURTGK-UHFFFAOYSA-N -1 3 378.432 3.133 20 0 GGADHM O=C(COC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415982 607378764 /nfs/dbraw/zinc/37/87/64/607378764.db2.gz CGTWFGSMQZQEAW-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM O=C(COC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415982 607378766 /nfs/dbraw/zinc/37/87/66/607378766.db2.gz CGTWFGSMQZQEAW-UHFFFAOYSA-N -1 3 394.284 3.064 20 0 GGADHM C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820357539 599441082 /nfs/dbraw/zinc/44/10/82/599441082.db2.gz HNUASHOQYFKQMC-XKQJLSEDSA-N -1 3 386.500 3.068 20 0 GGADHM C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820357539 599441084 /nfs/dbraw/zinc/44/10/84/599441084.db2.gz HNUASHOQYFKQMC-XKQJLSEDSA-N -1 3 386.500 3.068 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820360188 599442235 /nfs/dbraw/zinc/44/22/35/599442235.db2.gz XTZUIECJPWLMRV-BDJLRTHQSA-N -1 3 398.854 3.404 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820360188 599442238 /nfs/dbraw/zinc/44/22/38/599442238.db2.gz XTZUIECJPWLMRV-BDJLRTHQSA-N -1 3 398.854 3.404 20 0 GGADHM Cc1c(CSC(C)C)cccc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822035346 599449777 /nfs/dbraw/zinc/44/97/77/599449777.db2.gz SVRCAVWPVJQVER-CQSZACIVSA-N -1 3 398.540 3.167 20 0 GGADHM Cc1c(CSC(C)C)cccc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822035346 599449780 /nfs/dbraw/zinc/44/97/80/599449780.db2.gz SVRCAVWPVJQVER-CQSZACIVSA-N -1 3 398.540 3.167 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000737297589 599450482 /nfs/dbraw/zinc/45/04/82/599450482.db2.gz CVWCLUKGKOMFMG-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000737297589 599450483 /nfs/dbraw/zinc/45/04/83/599450483.db2.gz CVWCLUKGKOMFMG-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc(-c2cncc(C(=O)OCC(=O)c3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826273521 607379955 /nfs/dbraw/zinc/37/99/55/607379955.db2.gz IEAUIAKLXUQKAS-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM Cc1ccc(-c2cncc(C(=O)OCC(=O)c3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826273521 607379957 /nfs/dbraw/zinc/37/99/57/607379957.db2.gz IEAUIAKLXUQKAS-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM Fc1ccc(Br)cc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000822761681 599457052 /nfs/dbraw/zinc/45/70/52/599457052.db2.gz QWOMANRKGWCUBK-UHFFFAOYSA-N -1 3 380.196 3.197 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1c(C)cccc1F ZINC000821105214 599458740 /nfs/dbraw/zinc/45/87/40/599458740.db2.gz YZFXJRHVDPQBIK-UHFFFAOYSA-N -1 3 382.443 3.436 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1c(C)cccc1F ZINC000821105214 599458741 /nfs/dbraw/zinc/45/87/41/599458741.db2.gz YZFXJRHVDPQBIK-UHFFFAOYSA-N -1 3 382.443 3.436 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820914850 599460976 /nfs/dbraw/zinc/46/09/76/599460976.db2.gz QPERFOTWUJUVCW-KRWDZBQOSA-N -1 3 382.443 3.169 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820914850 599460979 /nfs/dbraw/zinc/46/09/79/599460979.db2.gz QPERFOTWUJUVCW-KRWDZBQOSA-N -1 3 382.443 3.169 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC000822351038 599461614 /nfs/dbraw/zinc/46/16/14/599461614.db2.gz KENINTBXLULKSH-SFHVURJKSA-N -1 3 380.427 3.265 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC000822351038 599461616 /nfs/dbraw/zinc/46/16/16/599461616.db2.gz KENINTBXLULKSH-SFHVURJKSA-N -1 3 380.427 3.265 20 0 GGADHM Brc1cncc(NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000819688854 599463554 /nfs/dbraw/zinc/46/35/54/599463554.db2.gz PAYDWQYASCEZCQ-UHFFFAOYSA-N -1 3 391.298 3.370 20 0 GGADHM Brc1cncc(NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000819688854 599463556 /nfs/dbraw/zinc/46/35/56/599463556.db2.gz PAYDWQYASCEZCQ-UHFFFAOYSA-N -1 3 391.298 3.370 20 0 GGADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1F ZINC000820920150 599463807 /nfs/dbraw/zinc/46/38/07/599463807.db2.gz LWEUKISESFNXHS-INIZCTEOSA-N -1 3 390.369 3.235 20 0 GGADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1F ZINC000820920150 599463810 /nfs/dbraw/zinc/46/38/10/599463810.db2.gz LWEUKISESFNXHS-INIZCTEOSA-N -1 3 390.369 3.235 20 0 GGADHM CC(C)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735671755 599464887 /nfs/dbraw/zinc/46/48/87/599464887.db2.gz FVMRVMAFTIAFQJ-UHFFFAOYSA-N -1 3 385.468 3.291 20 0 GGADHM CC(C)(NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735671755 599464890 /nfs/dbraw/zinc/46/48/90/599464890.db2.gz FVMRVMAFTIAFQJ-UHFFFAOYSA-N -1 3 385.468 3.291 20 0 GGADHM COc1cc(OC)c(OC)cc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821723729 599465583 /nfs/dbraw/zinc/46/55/83/599465583.db2.gz ISFAELBJQORBFF-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1cc(OC)c(OC)cc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821723729 599465586 /nfs/dbraw/zinc/46/55/86/599465586.db2.gz ISFAELBJQORBFF-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)c1ccccn1 ZINC000736741260 599465709 /nfs/dbraw/zinc/46/57/09/599465709.db2.gz DEJSJGVHCZDONM-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)c1ccccn1 ZINC000736741260 599465711 /nfs/dbraw/zinc/46/57/11/599465711.db2.gz DEJSJGVHCZDONM-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1CCc1ccccc1 ZINC000823233209 599467131 /nfs/dbraw/zinc/46/71/31/599467131.db2.gz DEGHNHXLXMCFKU-SFHVURJKSA-N -1 3 394.454 3.313 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1CCc1ccccc1 ZINC000823233209 599467132 /nfs/dbraw/zinc/46/71/32/599467132.db2.gz DEGHNHXLXMCFKU-SFHVURJKSA-N -1 3 394.454 3.313 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000736167889 599467553 /nfs/dbraw/zinc/46/75/53/599467553.db2.gz HGCDMKLYSNFUQN-WMLDXEAASA-N -1 3 381.436 3.371 20 0 GGADHM COc1ccc([C@@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000821786485 599471958 /nfs/dbraw/zinc/47/19/58/599471958.db2.gz DZCJMOXXZUEWQF-KBXCAEBGSA-N -1 3 392.463 3.135 20 0 GGADHM COc1ccc([C@@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000821786485 599471960 /nfs/dbraw/zinc/47/19/60/599471960.db2.gz DZCJMOXXZUEWQF-KBXCAEBGSA-N -1 3 392.463 3.135 20 0 GGADHM C[C@H](NC(=O)NCC1(c2ccc(F)cc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820359382 599477170 /nfs/dbraw/zinc/47/71/70/599477170.db2.gz SPGHIDWKFUDGGL-AWEZNQCLSA-N -1 3 394.454 3.488 20 0 GGADHM C[C@H](NC(=O)NCC1(c2ccc(F)cc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820359382 599477172 /nfs/dbraw/zinc/47/71/72/599477172.db2.gz SPGHIDWKFUDGGL-AWEZNQCLSA-N -1 3 394.454 3.488 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348125 599477726 /nfs/dbraw/zinc/47/77/26/599477726.db2.gz ACWSULYGNMMVPC-KUHUBIRLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348125 599477729 /nfs/dbraw/zinc/47/77/29/599477729.db2.gz ACWSULYGNMMVPC-KUHUBIRLSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](NC(=O)N1CCC(c2ccc(O)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339459 599478109 /nfs/dbraw/zinc/47/81/09/599478109.db2.gz CNPZFKJUFBUHPC-CQSZACIVSA-N -1 3 392.463 3.223 20 0 GGADHM C[C@@H](NC(=O)N1CCC(c2ccc(O)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339459 599478111 /nfs/dbraw/zinc/47/81/11/599478111.db2.gz CNPZFKJUFBUHPC-CQSZACIVSA-N -1 3 392.463 3.223 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c21 ZINC000822333111 599479546 /nfs/dbraw/zinc/47/95/46/599479546.db2.gz WWFBFIJWAWFNPH-CQSZACIVSA-N -1 3 389.463 3.259 20 0 GGADHM Cc1cccc2[nH]cc(CCNC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c21 ZINC000822333111 599479549 /nfs/dbraw/zinc/47/95/49/599479549.db2.gz WWFBFIJWAWFNPH-CQSZACIVSA-N -1 3 389.463 3.259 20 0 GGADHM CCO[C@@H](C)c1noc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736617895 599480351 /nfs/dbraw/zinc/48/03/51/599480351.db2.gz SQCCZWKMEKLOSO-LBPRGKRZSA-N -1 3 390.469 3.050 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340689 599480671 /nfs/dbraw/zinc/48/06/71/599480671.db2.gz MVIVYKRGDVQNQQ-ZBFHGGJFSA-N -1 3 394.454 3.341 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340689 599480674 /nfs/dbraw/zinc/48/06/74/599480674.db2.gz MVIVYKRGDVQNQQ-ZBFHGGJFSA-N -1 3 394.454 3.341 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(OC(C)C)nc3)c2c1 ZINC000822196398 599481079 /nfs/dbraw/zinc/48/10/79/599481079.db2.gz HXIWHRMLGSCJOU-UHFFFAOYSA-N -1 3 389.463 3.248 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(OC(C)C)nc3)c2c1 ZINC000822196398 599481080 /nfs/dbraw/zinc/48/10/80/599481080.db2.gz HXIWHRMLGSCJOU-UHFFFAOYSA-N -1 3 389.463 3.248 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821889984 599482055 /nfs/dbraw/zinc/48/20/55/599482055.db2.gz IRZZNHJYPHZMHI-GJZGRUSLSA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821889984 599482057 /nfs/dbraw/zinc/48/20/57/599482057.db2.gz IRZZNHJYPHZMHI-GJZGRUSLSA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)c(OC)c1 ZINC000821818268 599485223 /nfs/dbraw/zinc/48/52/23/599485223.db2.gz NEGSXTURAQTNPS-UHFFFAOYSA-N -1 3 390.447 3.083 20 0 GGADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)c(OC)c1 ZINC000821818268 599485225 /nfs/dbraw/zinc/48/52/25/599485225.db2.gz NEGSXTURAQTNPS-UHFFFAOYSA-N -1 3 390.447 3.083 20 0 GGADHM Fc1ccc(Br)c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000822762010 599486193 /nfs/dbraw/zinc/48/61/93/599486193.db2.gz XKYWLSCMHWBTQS-UHFFFAOYSA-N -1 3 399.227 3.351 20 0 GGADHM Fc1ccc(Br)c(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000822762010 599486194 /nfs/dbraw/zinc/48/61/94/599486194.db2.gz XKYWLSCMHWBTQS-UHFFFAOYSA-N -1 3 399.227 3.351 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCCN(c2ccccc2)CC1 ZINC000822331640 599488271 /nfs/dbraw/zinc/48/82/71/599488271.db2.gz IXPSESZJOFTEJD-UHFFFAOYSA-N -1 3 385.475 3.440 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCCN(c2ccccc2)CC1 ZINC000822331640 599488274 /nfs/dbraw/zinc/48/82/74/599488274.db2.gz IXPSESZJOFTEJD-UHFFFAOYSA-N -1 3 385.475 3.440 20 0 GGADHM Cn1nccc1[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000822709385 599488704 /nfs/dbraw/zinc/48/87/04/599488704.db2.gz KQWJWXYTVKAQNV-LBPRGKRZSA-N -1 3 394.870 3.186 20 0 GGADHM Cn1nccc1[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000822709385 599488706 /nfs/dbraw/zinc/48/87/06/599488706.db2.gz KQWJWXYTVKAQNV-LBPRGKRZSA-N -1 3 394.870 3.186 20 0 GGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736238499 599492681 /nfs/dbraw/zinc/49/26/81/599492681.db2.gz ZJFRVUWHMPPNMT-DYVFJYSZSA-N -1 3 380.427 3.093 20 0 GGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736238499 599492683 /nfs/dbraw/zinc/49/26/83/599492683.db2.gz ZJFRVUWHMPPNMT-DYVFJYSZSA-N -1 3 380.427 3.093 20 0 GGADHM COc1cc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc(OC)c1 ZINC000821717702 599492842 /nfs/dbraw/zinc/49/28/42/599492842.db2.gz VDACGZNSKMJQAU-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM COc1cc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc(OC)c1 ZINC000821717702 599492845 /nfs/dbraw/zinc/49/28/45/599492845.db2.gz VDACGZNSKMJQAU-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821401248 599494417 /nfs/dbraw/zinc/49/44/17/599494417.db2.gz TVSDZLXCUMEMGS-HTAPYJJXSA-N -1 3 389.459 3.498 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821401248 599494419 /nfs/dbraw/zinc/49/44/19/599494419.db2.gz TVSDZLXCUMEMGS-HTAPYJJXSA-N -1 3 389.459 3.498 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000821400495 599494926 /nfs/dbraw/zinc/49/49/26/599494926.db2.gz KVZJQDXPSRTTTE-IIBYNOLFSA-N -1 3 375.432 3.108 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000821400495 599494927 /nfs/dbraw/zinc/49/49/27/599494927.db2.gz KVZJQDXPSRTTTE-IIBYNOLFSA-N -1 3 375.432 3.108 20 0 GGADHM Cc1cccc(COC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000737396345 599497003 /nfs/dbraw/zinc/49/70/03/599497003.db2.gz IMXCGLNPFXARES-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1ccc(Nc2cccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)c2)nn1 ZINC000737362118 599498819 /nfs/dbraw/zinc/49/88/19/599498819.db2.gz NNYPQBLVLKLQMG-UHFFFAOYSA-N -1 3 387.403 3.066 20 0 GGADHM Cc1ccc(Nc2cccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)c2)nn1 ZINC000737362118 599498822 /nfs/dbraw/zinc/49/88/22/599498822.db2.gz NNYPQBLVLKLQMG-UHFFFAOYSA-N -1 3 387.403 3.066 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321841 599500580 /nfs/dbraw/zinc/50/05/80/599500580.db2.gz MZGQICJPPMIJQZ-PCGIRMHASA-N -1 3 388.225 3.113 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321841 599500583 /nfs/dbraw/zinc/50/05/83/599500583.db2.gz MZGQICJPPMIJQZ-PCGIRMHASA-N -1 3 388.225 3.113 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820225778 599501146 /nfs/dbraw/zinc/50/11/46/599501146.db2.gz PEYUOAXTXFWTSZ-QWHCGFSZSA-N -1 3 381.411 3.092 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820225778 599501148 /nfs/dbraw/zinc/50/11/48/599501148.db2.gz PEYUOAXTXFWTSZ-QWHCGFSZSA-N -1 3 381.411 3.092 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821014010 599505299 /nfs/dbraw/zinc/50/52/99/599505299.db2.gz APRUWYMOLZLKLY-QWHCGFSZSA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821014010 599505302 /nfs/dbraw/zinc/50/53/02/599505302.db2.gz APRUWYMOLZLKLY-QWHCGFSZSA-N -1 3 376.892 3.041 20 0 GGADHM Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822458560 599507858 /nfs/dbraw/zinc/50/78/58/599507858.db2.gz DQJVQKKZHNJWOS-NSHDSACASA-N -1 3 376.395 3.353 20 0 GGADHM Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822458560 599507860 /nfs/dbraw/zinc/50/78/60/599507860.db2.gz DQJVQKKZHNJWOS-NSHDSACASA-N -1 3 376.395 3.353 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821056799 599508318 /nfs/dbraw/zinc/50/83/18/599508318.db2.gz XQAKBPOTNMSZGC-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM CCCCCCNC(=O)[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821056799 599508320 /nfs/dbraw/zinc/50/83/20/599508320.db2.gz XQAKBPOTNMSZGC-AWEZNQCLSA-N -1 3 390.919 3.433 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820532947 599509547 /nfs/dbraw/zinc/50/95/47/599509547.db2.gz ABGCGMDQMDRVHI-GHMZBOCLSA-N -1 3 389.818 3.304 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820532947 599509549 /nfs/dbraw/zinc/50/95/49/599509549.db2.gz ABGCGMDQMDRVHI-GHMZBOCLSA-N -1 3 389.818 3.304 20 0 GGADHM Cc1cccc(NC[C@@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)n1 ZINC000822323657 599511202 /nfs/dbraw/zinc/51/12/02/599511202.db2.gz LSCLRVGKYQKOGE-HNNXBMFYSA-N -1 3 386.463 3.057 20 0 GGADHM C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329526 599511517 /nfs/dbraw/zinc/51/15/17/599511517.db2.gz XEYOFTLDLFSNBD-NSHDSACASA-N -1 3 391.353 3.142 20 0 GGADHM C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329526 599511519 /nfs/dbraw/zinc/51/15/19/599511519.db2.gz XEYOFTLDLFSNBD-NSHDSACASA-N -1 3 391.353 3.142 20 0 GGADHM Cc1ccnc(NC[C@@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)c1 ZINC000822374504 599512084 /nfs/dbraw/zinc/51/20/84/599512084.db2.gz ZTQNNVUAPNKWQS-HNNXBMFYSA-N -1 3 386.463 3.057 20 0 GGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820234350 607381945 /nfs/dbraw/zinc/38/19/45/607381945.db2.gz NZATXIAFUYNFRS-ZBEGNZNMSA-N -1 3 396.401 3.039 20 0 GGADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820234350 607381948 /nfs/dbraw/zinc/38/19/48/607381948.db2.gz NZATXIAFUYNFRS-ZBEGNZNMSA-N -1 3 396.401 3.039 20 0 GGADHM COc1cccc(N2CC[C@H](CNc3c(Cl)cccc3-c3nnn[n-]3)C2)c1 ZINC000821871552 599518868 /nfs/dbraw/zinc/51/88/68/599518868.db2.gz APLMDQVMHFMZAU-CYBMUJFWSA-N -1 3 384.871 3.467 20 0 GGADHM COc1cccc(N2CC[C@H](CNc3c(Cl)cccc3-c3nn[n-]n3)C2)c1 ZINC000821871552 599518869 /nfs/dbraw/zinc/51/88/69/599518869.db2.gz APLMDQVMHFMZAU-CYBMUJFWSA-N -1 3 384.871 3.467 20 0 GGADHM OCc1cc2ccccc2nc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000738395851 599519229 /nfs/dbraw/zinc/51/92/29/599519229.db2.gz ABGCEKBVYUPXGA-UHFFFAOYSA-N -1 3 392.488 3.253 20 0 GGADHM OCc1cc2ccccc2nc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000738395851 599519231 /nfs/dbraw/zinc/51/92/31/599519231.db2.gz ABGCEKBVYUPXGA-UHFFFAOYSA-N -1 3 392.488 3.253 20 0 GGADHM Cc1cccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737384155 599521287 /nfs/dbraw/zinc/52/12/87/599521287.db2.gz HELAVHKBPUJADX-UHFFFAOYSA-N -1 3 390.369 3.036 20 0 GGADHM COc1nc(C)cc(C)c1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821911429 599521523 /nfs/dbraw/zinc/52/15/23/599521523.db2.gz RUMXAYNVSVTWDC-UHFFFAOYSA-N -1 3 395.854 3.123 20 0 GGADHM COc1nc(C)cc(C)c1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821911429 599521524 /nfs/dbraw/zinc/52/15/24/599521524.db2.gz RUMXAYNVSVTWDC-UHFFFAOYSA-N -1 3 395.854 3.123 20 0 GGADHM Fc1ccc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822779304 599522376 /nfs/dbraw/zinc/52/23/76/599522376.db2.gz VGWKMZWTKCERCI-MRXNPFEDSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1ccc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822779304 599522377 /nfs/dbraw/zinc/52/23/77/599522377.db2.gz VGWKMZWTKCERCI-MRXNPFEDSA-N -1 3 377.782 3.376 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NC[C@@H]3CCc4ccccc4N3)c2c1 ZINC000822582817 599524690 /nfs/dbraw/zinc/52/46/90/599524690.db2.gz XNDOQKBPIAZUKL-AWEZNQCLSA-N -1 3 391.866 3.329 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NC[C@@H]3CCc4ccccc4N3)c2c1 ZINC000822582817 599524692 /nfs/dbraw/zinc/52/46/92/599524692.db2.gz XNDOQKBPIAZUKL-AWEZNQCLSA-N -1 3 391.866 3.329 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000735625361 599526054 /nfs/dbraw/zinc/52/60/54/599526054.db2.gz DPGCYWHHFLKRKH-NSHDSACASA-N -1 3 398.389 3.307 20 0 GGADHM C[C@H]1CN(Cc2cccc(Nc3cccc(F)c3-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000736291700 599526143 /nfs/dbraw/zinc/52/61/43/599526143.db2.gz YBJRQZZNWJQVHT-KBPBESRZSA-N -1 3 382.443 3.359 20 0 GGADHM C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397100 599526308 /nfs/dbraw/zinc/52/63/08/599526308.db2.gz LVHGIXMVULCXOA-SNVBAGLBSA-N -1 3 377.326 3.256 20 0 GGADHM C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397100 599526310 /nfs/dbraw/zinc/52/63/10/599526310.db2.gz LVHGIXMVULCXOA-SNVBAGLBSA-N -1 3 377.326 3.256 20 0 GGADHM C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404568 599529872 /nfs/dbraw/zinc/52/98/72/599529872.db2.gz XYVXCCOKBNSBSH-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404568 599529873 /nfs/dbraw/zinc/52/98/73/599529873.db2.gz XYVXCCOKBNSBSH-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(Cn4cccn4)CC3)c2c1 ZINC000822195362 599536928 /nfs/dbraw/zinc/53/69/28/599536928.db2.gz PUEALAVIONQDLM-UHFFFAOYSA-N -1 3 388.479 3.145 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(Cn4cccn4)CC3)c2c1 ZINC000822195362 599536929 /nfs/dbraw/zinc/53/69/29/599536929.db2.gz PUEALAVIONQDLM-UHFFFAOYSA-N -1 3 388.479 3.145 20 0 GGADHM CCc1nnc(Nc2cnn(-c3ccccc3)c2C)c(-c2nnn[n-]2)c1CC ZINC000821548242 607383056 /nfs/dbraw/zinc/38/30/56/607383056.db2.gz JSKFZLBRAHIBOS-UHFFFAOYSA-N -1 3 375.440 3.019 20 0 GGADHM CCc1nnc(Nc2cnn(-c3ccccc3)c2C)c(-c2nn[n-]n2)c1CC ZINC000821548242 607383058 /nfs/dbraw/zinc/38/30/58/607383058.db2.gz JSKFZLBRAHIBOS-UHFFFAOYSA-N -1 3 375.440 3.019 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252169 607383373 /nfs/dbraw/zinc/38/33/73/607383373.db2.gz RZFPSYVLYDRQAM-UHFFFAOYSA-N -1 3 393.447 3.402 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252169 607383375 /nfs/dbraw/zinc/38/33/75/607383375.db2.gz RZFPSYVLYDRQAM-UHFFFAOYSA-N -1 3 393.447 3.402 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000736170925 599546114 /nfs/dbraw/zinc/54/61/14/599546114.db2.gz SUFKLQJRXZUWBU-QSFXBCCZSA-N -1 3 391.475 3.162 20 0 GGADHM CCCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000821127164 599546259 /nfs/dbraw/zinc/54/62/59/599546259.db2.gz CHOJLBULXJIAHF-GFCCVEGCSA-N -1 3 388.422 3.479 20 0 GGADHM CCCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000821127164 599546261 /nfs/dbraw/zinc/54/62/61/599546261.db2.gz CHOJLBULXJIAHF-GFCCVEGCSA-N -1 3 388.422 3.479 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737851733 599546501 /nfs/dbraw/zinc/54/65/01/599546501.db2.gz IEBPJHNIKJVYJA-WOJBJXKFSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000737851733 599546502 /nfs/dbraw/zinc/54/65/02/599546502.db2.gz IEBPJHNIKJVYJA-WOJBJXKFSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000737942653 599546753 /nfs/dbraw/zinc/54/67/53/599546753.db2.gz MPVIUWRCVVGXML-PKOBYXMFSA-N -1 3 393.516 3.486 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000737942653 599546755 /nfs/dbraw/zinc/54/67/55/599546755.db2.gz MPVIUWRCVVGXML-PKOBYXMFSA-N -1 3 393.516 3.486 20 0 GGADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820686644 599547716 /nfs/dbraw/zinc/54/77/16/599547716.db2.gz ZCHXWPSAKMZEBU-KGLIPLIRSA-N -1 3 381.436 3.299 20 0 GGADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820686644 599547719 /nfs/dbraw/zinc/54/77/19/599547719.db2.gz ZCHXWPSAKMZEBU-KGLIPLIRSA-N -1 3 381.436 3.299 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000737420533 599548676 /nfs/dbraw/zinc/54/86/76/599548676.db2.gz JPIAREGMASOZJX-YESZJQIVSA-N -1 3 391.475 3.347 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000737420533 599548678 /nfs/dbraw/zinc/54/86/78/599548678.db2.gz JPIAREGMASOZJX-YESZJQIVSA-N -1 3 391.475 3.347 20 0 GGADHM CSC(C)(C)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821950470 599548795 /nfs/dbraw/zinc/54/87/95/599548795.db2.gz NNCPPVBFRQXMAH-UHFFFAOYSA-N -1 3 397.504 3.317 20 0 GGADHM CSC(C)(C)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821950470 599548797 /nfs/dbraw/zinc/54/87/97/599548797.db2.gz NNCPPVBFRQXMAH-UHFFFAOYSA-N -1 3 397.504 3.317 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)s1 ZINC000737334011 599551227 /nfs/dbraw/zinc/55/12/27/599551227.db2.gz FEZZCFRJOLHOCM-UGSOOPFHSA-N -1 3 399.520 3.387 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)s1 ZINC000737334011 599551229 /nfs/dbraw/zinc/55/12/29/599551229.db2.gz FEZZCFRJOLHOCM-UGSOOPFHSA-N -1 3 399.520 3.387 20 0 GGADHM Fc1ccc(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000822778628 599551448 /nfs/dbraw/zinc/55/14/48/599551448.db2.gz LBUIYWWTSREYHU-CYBMUJFWSA-N -1 3 388.397 3.361 20 0 GGADHM Fc1ccc(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000822778628 599551449 /nfs/dbraw/zinc/55/14/49/599551449.db2.gz LBUIYWWTSREYHU-CYBMUJFWSA-N -1 3 388.397 3.361 20 0 GGADHM Cc1ccc(C[C@H](C)N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334647 599553515 /nfs/dbraw/zinc/55/35/15/599553515.db2.gz KJFYPKJCOFEFGM-INIZCTEOSA-N -1 3 395.532 3.498 20 0 GGADHM Cc1ccc(C[C@H](C)N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334647 599553516 /nfs/dbraw/zinc/55/35/16/599553516.db2.gz KJFYPKJCOFEFGM-INIZCTEOSA-N -1 3 395.532 3.498 20 0 GGADHM Cc1ccc([C@H](C)CNC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737319791 599553545 /nfs/dbraw/zinc/55/35/45/599553545.db2.gz GTMYLPKWOFOFDE-UZLBHIALSA-N -1 3 393.491 3.498 20 0 GGADHM Cc1ccc([C@H](C)CNC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737319791 599553546 /nfs/dbraw/zinc/55/35/46/599553546.db2.gz GTMYLPKWOFOFDE-UZLBHIALSA-N -1 3 393.491 3.498 20 0 GGADHM Fc1ccc(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778067 599561925 /nfs/dbraw/zinc/56/19/25/599561925.db2.gz BZDREAAJWDFFFW-LBPRGKRZSA-N -1 3 390.369 3.298 20 0 GGADHM Fc1ccc(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778067 599561928 /nfs/dbraw/zinc/56/19/28/599561928.db2.gz BZDREAAJWDFFFW-LBPRGKRZSA-N -1 3 390.369 3.298 20 0 GGADHM CCN(C[C@@H]1CCOC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736534606 599564742 /nfs/dbraw/zinc/56/47/42/599564742.db2.gz LDEZHPMXMQESMV-HNNXBMFYSA-N -1 3 392.463 3.109 20 0 GGADHM Fc1cccc([C@@H]2CCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822786232 599565037 /nfs/dbraw/zinc/56/50/37/599565037.db2.gz FPLPGMDBRBNCLG-KRWDZBQOSA-N -1 3 391.410 3.393 20 0 GGADHM Fc1cccc([C@@H]2CCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822786232 599565039 /nfs/dbraw/zinc/56/50/39/599565039.db2.gz FPLPGMDBRBNCLG-KRWDZBQOSA-N -1 3 391.410 3.393 20 0 GGADHM CC(C)(C)OCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735639668 599566276 /nfs/dbraw/zinc/56/62/76/599566276.db2.gz MDFLGAOYHHJBAZ-UHFFFAOYSA-N -1 3 380.452 3.155 20 0 GGADHM Cc1noc(C)c1C[C@H](C)Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822523029 599566918 /nfs/dbraw/zinc/56/69/18/599566918.db2.gz OFQKUFXDHPRALE-VIFPVBQESA-N -1 3 383.843 3.138 20 0 GGADHM Cc1noc(C)c1C[C@H](C)Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822523029 599566920 /nfs/dbraw/zinc/56/69/20/599566920.db2.gz OFQKUFXDHPRALE-VIFPVBQESA-N -1 3 383.843 3.138 20 0 GGADHM Cc1ccccc1[C@H](C)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822345877 599567975 /nfs/dbraw/zinc/56/79/75/599567975.db2.gz VIRGXWQGFXIUKZ-AWEZNQCLSA-N -1 3 375.436 3.418 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)O1 ZINC000736407842 599568867 /nfs/dbraw/zinc/56/88/67/599568867.db2.gz HNDICZQRWTWKLL-IFXJQAMLSA-N -1 3 392.463 3.250 20 0 GGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820769312 599569439 /nfs/dbraw/zinc/56/94/39/599569439.db2.gz SHOWMTKJHSKICA-RISCZKNCSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820769312 599569441 /nfs/dbraw/zinc/56/94/41/599569441.db2.gz SHOWMTKJHSKICA-RISCZKNCSA-N -1 3 392.891 3.260 20 0 GGADHM Cc1cccnc1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737437045 599569841 /nfs/dbraw/zinc/56/98/41/599569841.db2.gz VUFQZTYQBCFBGQ-UHFFFAOYSA-N -1 3 385.431 3.244 20 0 GGADHM CCCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccc(F)cc1 ZINC000821109200 599570322 /nfs/dbraw/zinc/57/03/22/599570322.db2.gz CHMODIXTCUUSRL-UHFFFAOYSA-N -1 3 393.426 3.468 20 0 GGADHM O=C(NCC1CCSCC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738052664 599570748 /nfs/dbraw/zinc/57/07/48/599570748.db2.gz UZOYLZBQWJXPHN-UHFFFAOYSA-N -1 3 394.504 3.483 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC000822728951 607384389 /nfs/dbraw/zinc/38/43/89/607384389.db2.gz OEAZLCOSGFSZDU-JTQLQIEISA-N -1 3 381.387 3.121 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC000822728951 607384391 /nfs/dbraw/zinc/38/43/91/607384391.db2.gz OEAZLCOSGFSZDU-JTQLQIEISA-N -1 3 381.387 3.121 20 0 GGADHM O=C(c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000738270743 599573922 /nfs/dbraw/zinc/57/39/22/599573922.db2.gz WQZVZRYRTCCTMK-HKUYNNGSSA-N -1 3 375.432 3.070 20 0 GGADHM O=C(c1cccc(COc2ccccc2-c2nnn[n-]2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738266455 599574200 /nfs/dbraw/zinc/57/42/00/599574200.db2.gz DVBULWPSOWFZTL-SJLPKXTDSA-N -1 3 375.432 3.070 20 0 GGADHM O=C(c1cccc(COc2ccccc2-c2nn[n-]n2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738266455 599574202 /nfs/dbraw/zinc/57/42/02/599574202.db2.gz DVBULWPSOWFZTL-SJLPKXTDSA-N -1 3 375.432 3.070 20 0 GGADHM CC[C@@H](COC)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736352466 599576292 /nfs/dbraw/zinc/57/62/92/599576292.db2.gz LNUQKSFOZOKKLX-INIZCTEOSA-N -1 3 397.504 3.314 20 0 GGADHM CC[C@@H](COC)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736352466 599576294 /nfs/dbraw/zinc/57/62/94/599576294.db2.gz LNUQKSFOZOKKLX-INIZCTEOSA-N -1 3 397.504 3.314 20 0 GGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737332375 599579062 /nfs/dbraw/zinc/57/90/62/599579062.db2.gz TXCFDAADFKWNAT-KRWDZBQOSA-N -1 3 380.452 3.324 20 0 GGADHM Cc1nnc(N[C@@H]2CCCN(c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1C ZINC000822516137 599579697 /nfs/dbraw/zinc/57/96/97/599579697.db2.gz WJCNYWQEKNAFAX-CYBMUJFWSA-N -1 3 384.875 3.008 20 0 GGADHM Cc1nnc(N[C@@H]2CCCN(c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1C ZINC000822516137 599579698 /nfs/dbraw/zinc/57/96/98/599579698.db2.gz WJCNYWQEKNAFAX-CYBMUJFWSA-N -1 3 384.875 3.008 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000736369178 599598313 /nfs/dbraw/zinc/59/83/13/599598313.db2.gz GMYQCDFHXUGGIM-NOZJJQNGSA-N -1 3 391.888 3.045 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000736369178 599598315 /nfs/dbraw/zinc/59/83/15/599598315.db2.gz GMYQCDFHXUGGIM-NOZJJQNGSA-N -1 3 391.888 3.045 20 0 GGADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC000822318898 599603065 /nfs/dbraw/zinc/60/30/65/599603065.db2.gz AXGYGQVWWRZZFO-CABCVRRESA-N -1 3 398.511 3.082 20 0 GGADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC000822318898 599603067 /nfs/dbraw/zinc/60/30/67/599603067.db2.gz AXGYGQVWWRZZFO-CABCVRRESA-N -1 3 398.511 3.082 20 0 GGADHM CC[C@@H](CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736334606 599605348 /nfs/dbraw/zinc/60/53/48/599605348.db2.gz VXVZTOSWOIOLNX-ZDUSSCGKSA-N -1 3 399.476 3.302 20 0 GGADHM CC[C@@H](CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736334606 599605351 /nfs/dbraw/zinc/60/53/51/599605351.db2.gz VXVZTOSWOIOLNX-ZDUSSCGKSA-N -1 3 399.476 3.302 20 0 GGADHM Cc1nnc([C@@H](C)OC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737523546 599608088 /nfs/dbraw/zinc/60/80/88/599608088.db2.gz UJFMAMURIVNWEZ-LLVKDONJSA-N -1 3 391.391 3.220 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000736636993 599610248 /nfs/dbraw/zinc/61/02/48/599610248.db2.gz NCPSTGNWKHNHEO-NSHDSACASA-N -1 3 386.481 3.388 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000736636993 599610250 /nfs/dbraw/zinc/61/02/50/599610250.db2.gz NCPSTGNWKHNHEO-NSHDSACASA-N -1 3 386.481 3.388 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000737256146 599610714 /nfs/dbraw/zinc/61/07/14/599610714.db2.gz LCVIUQJGCKVWDJ-KRWDZBQOSA-N -1 3 394.483 3.075 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000737256146 599610715 /nfs/dbraw/zinc/61/07/15/599610715.db2.gz LCVIUQJGCKVWDJ-KRWDZBQOSA-N -1 3 394.483 3.075 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826251412 607386319 /nfs/dbraw/zinc/38/63/19/607386319.db2.gz ORJCSPLDTXBVGV-ZDUSSCGKSA-N -1 3 390.403 3.452 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826251412 607386321 /nfs/dbraw/zinc/38/63/21/607386321.db2.gz ORJCSPLDTXBVGV-ZDUSSCGKSA-N -1 3 390.403 3.452 20 0 GGADHM C[C@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158376 599617466 /nfs/dbraw/zinc/61/74/66/599617466.db2.gz GOHDOZANOCIYQX-NSHDSACASA-N -1 3 381.417 3.430 20 0 GGADHM C[C@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158376 599617468 /nfs/dbraw/zinc/61/74/68/599617468.db2.gz GOHDOZANOCIYQX-NSHDSACASA-N -1 3 381.417 3.430 20 0 GGADHM CC[C@H](CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736333448 599617674 /nfs/dbraw/zinc/61/76/74/599617674.db2.gz QIIZTHHCRNJYSK-OAHLLOKOSA-N -1 3 380.452 3.109 20 0 GGADHM CC[C@H](CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736333448 599617676 /nfs/dbraw/zinc/61/76/76/599617676.db2.gz QIIZTHHCRNJYSK-OAHLLOKOSA-N -1 3 380.452 3.109 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819898973 599620489 /nfs/dbraw/zinc/62/04/89/599620489.db2.gz LRAGBFWONJXCDS-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819898973 599620490 /nfs/dbraw/zinc/62/04/90/599620490.db2.gz LRAGBFWONJXCDS-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM Cc1ccc([C@H](C)C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)o1 ZINC000822227752 599621694 /nfs/dbraw/zinc/62/16/94/599621694.db2.gz UQJWBQWWLRAUSA-ZDUSSCGKSA-N -1 3 393.403 3.042 20 0 GGADHM Cc1ccc([C@H](C)C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)o1 ZINC000822227752 599621695 /nfs/dbraw/zinc/62/16/95/599621695.db2.gz UQJWBQWWLRAUSA-ZDUSSCGKSA-N -1 3 393.403 3.042 20 0 GGADHM Cn1c(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)ccc1-c1ccccc1 ZINC000822596869 599624155 /nfs/dbraw/zinc/62/41/55/599624155.db2.gz XGHHVFYHRCTINF-UHFFFAOYSA-N -1 3 389.415 3.108 20 0 GGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCSc2ccccc21 ZINC000823409963 599624247 /nfs/dbraw/zinc/62/42/47/599624247.db2.gz OULKFCQROIPEOY-INIZCTEOSA-N -1 3 382.445 3.068 20 0 GGADHM O=C(OC1([C@H]2CCOC2)CC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823391732 599625000 /nfs/dbraw/zinc/62/50/00/599625000.db2.gz CWWBRCBTEKDHKQ-INIZCTEOSA-N -1 3 391.431 3.336 20 0 GGADHM CCO[C@@H]1C[C@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000821358478 599626168 /nfs/dbraw/zinc/62/61/68/599626168.db2.gz JCPFSXGQQOLCSN-MSOLQXFVSA-N -1 3 384.480 3.470 20 0 GGADHM CCO[C@@H]1C[C@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000821358478 599626169 /nfs/dbraw/zinc/62/61/69/599626169.db2.gz JCPFSXGQQOLCSN-MSOLQXFVSA-N -1 3 384.480 3.470 20 0 GGADHM O=C(OCc1ccsc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823440141 599626695 /nfs/dbraw/zinc/62/66/95/599626695.db2.gz FFWNNEYGEABGNM-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM O=C(OCc1ccsc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823440141 599626696 /nfs/dbraw/zinc/62/66/96/599626696.db2.gz FFWNNEYGEABGNM-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM CO[C@@H](C)CCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821673689 599626902 /nfs/dbraw/zinc/62/69/02/599626902.db2.gz JEQDCHBMHVISAS-AWEZNQCLSA-N -1 3 382.420 3.028 20 0 GGADHM CO[C@@H](C)CCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821673689 599626903 /nfs/dbraw/zinc/62/69/03/599626903.db2.gz JEQDCHBMHVISAS-AWEZNQCLSA-N -1 3 382.420 3.028 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000821346908 599628785 /nfs/dbraw/zinc/62/87/85/599628785.db2.gz RFRQFMPYVRUMSS-QMMMGPOBSA-N -1 3 390.494 3.223 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000821346908 599628786 /nfs/dbraw/zinc/62/87/86/599628786.db2.gz RFRQFMPYVRUMSS-QMMMGPOBSA-N -1 3 390.494 3.223 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000821699366 599629677 /nfs/dbraw/zinc/62/96/77/599629677.db2.gz NPENDZNDUUGIRP-LPHOPBHVSA-N -1 3 394.431 3.257 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000821699366 599629678 /nfs/dbraw/zinc/62/96/78/599629678.db2.gz NPENDZNDUUGIRP-LPHOPBHVSA-N -1 3 394.431 3.257 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)cc12 ZINC000820206418 599630303 /nfs/dbraw/zinc/63/03/03/599630303.db2.gz JUYKHJVTWPJLNG-UHFFFAOYSA-N -1 3 399.455 3.354 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)cc12 ZINC000820206418 599630304 /nfs/dbraw/zinc/63/03/04/599630304.db2.gz JUYKHJVTWPJLNG-UHFFFAOYSA-N -1 3 399.455 3.354 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821400197 599630417 /nfs/dbraw/zinc/63/04/17/599630417.db2.gz GNSRRBVZIURZMD-NRFANRHFSA-N -1 3 377.448 3.399 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000821400197 599630418 /nfs/dbraw/zinc/63/04/18/599630418.db2.gz GNSRRBVZIURZMD-NRFANRHFSA-N -1 3 377.448 3.399 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1COc2ccccc21 ZINC000823303728 599632582 /nfs/dbraw/zinc/63/25/82/599632582.db2.gz SRZJOVGUSZRCIB-GFCCVEGCSA-N -1 3 375.310 3.000 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1COc2ccccc21 ZINC000823303728 599632583 /nfs/dbraw/zinc/63/25/83/599632583.db2.gz SRZJOVGUSZRCIB-GFCCVEGCSA-N -1 3 375.310 3.000 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820533844 599632618 /nfs/dbraw/zinc/63/26/18/599632618.db2.gz HDWHEPMDFQGIJJ-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820533844 599632619 /nfs/dbraw/zinc/63/26/19/599632619.db2.gz HDWHEPMDFQGIJJ-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM CCc1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000821504992 599632757 /nfs/dbraw/zinc/63/27/57/599632757.db2.gz NRHHNCOACQVSEZ-UHFFFAOYSA-N -1 3 382.371 3.465 20 0 GGADHM CCc1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000821504992 599632758 /nfs/dbraw/zinc/63/27/58/599632758.db2.gz NRHHNCOACQVSEZ-UHFFFAOYSA-N -1 3 382.371 3.465 20 0 GGADHM CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000819818012 599633454 /nfs/dbraw/zinc/63/34/54/599633454.db2.gz OHWGTVDCVZTRFP-UHFFFAOYSA-N -1 3 390.325 3.096 20 0 GGADHM CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000819818012 599633455 /nfs/dbraw/zinc/63/34/55/599633455.db2.gz OHWGTVDCVZTRFP-UHFFFAOYSA-N -1 3 390.325 3.096 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2nccnc2c1 ZINC000823303686 599634403 /nfs/dbraw/zinc/63/44/03/599634403.db2.gz RCJHIAIQIPLEJW-UHFFFAOYSA-N -1 3 385.309 3.081 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2nccnc2c1 ZINC000823303686 599634404 /nfs/dbraw/zinc/63/44/04/599634404.db2.gz RCJHIAIQIPLEJW-UHFFFAOYSA-N -1 3 385.309 3.081 20 0 GGADHM COCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821695014 599634724 /nfs/dbraw/zinc/63/47/24/599634724.db2.gz DVPVRNDWHFRDIZ-UHFFFAOYSA-N -1 3 377.326 3.284 20 0 GGADHM COCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821695014 599634725 /nfs/dbraw/zinc/63/47/25/599634725.db2.gz DVPVRNDWHFRDIZ-UHFFFAOYSA-N -1 3 377.326 3.284 20 0 GGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820668459 599641104 /nfs/dbraw/zinc/64/11/04/599641104.db2.gz SXYKYAHZKDIEKY-ABAIWWIYSA-N -1 3 386.456 3.089 20 0 GGADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000820668459 599641105 /nfs/dbraw/zinc/64/11/05/599641105.db2.gz SXYKYAHZKDIEKY-ABAIWWIYSA-N -1 3 386.456 3.089 20 0 GGADHM CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1(C)C ZINC000820005917 599650038 /nfs/dbraw/zinc/65/00/38/599650038.db2.gz ZASDAFNBOIBLSG-ZBFHGGJFSA-N -1 3 394.435 3.198 20 0 GGADHM CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1(C)C ZINC000820005917 599650039 /nfs/dbraw/zinc/65/00/39/599650039.db2.gz ZASDAFNBOIBLSG-ZBFHGGJFSA-N -1 3 394.435 3.198 20 0 GGADHM CO[C@@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000821676572 599653714 /nfs/dbraw/zinc/65/37/14/599653714.db2.gz AVPVDOHJLYDZNL-SFHVURJKSA-N -1 3 380.452 3.011 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819928402 599655811 /nfs/dbraw/zinc/65/58/11/599655811.db2.gz OATXERLXJMCIGV-UHFFFAOYSA-N -1 3 379.420 3.003 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819928402 599655812 /nfs/dbraw/zinc/65/58/12/599655812.db2.gz OATXERLXJMCIGV-UHFFFAOYSA-N -1 3 379.420 3.003 20 0 GGADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736252666 599655901 /nfs/dbraw/zinc/65/59/01/599655901.db2.gz QZIZAAJDYHLCLR-OKILXGFUSA-N -1 3 381.436 3.442 20 0 GGADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736252666 599655902 /nfs/dbraw/zinc/65/59/02/599655902.db2.gz QZIZAAJDYHLCLR-OKILXGFUSA-N -1 3 381.436 3.442 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000819928258 599655904 /nfs/dbraw/zinc/65/59/04/599655904.db2.gz MPCIUPSQHGINCQ-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000819928258 599655905 /nfs/dbraw/zinc/65/59/05/599655905.db2.gz MPCIUPSQHGINCQ-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM CC(C)CCOc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820076302 599656576 /nfs/dbraw/zinc/65/65/76/599656576.db2.gz FYJTUMSOADEFSI-UHFFFAOYSA-N -1 3 381.436 3.309 20 0 GGADHM CCOCCOCc1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1C ZINC000821384142 599657630 /nfs/dbraw/zinc/65/76/30/599657630.db2.gz QXCXZRBFYFGRPM-UHFFFAOYSA-N -1 3 387.465 3.042 20 0 GGADHM CCOCCOCc1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1C ZINC000821384142 599657631 /nfs/dbraw/zinc/65/76/31/599657631.db2.gz QXCXZRBFYFGRPM-UHFFFAOYSA-N -1 3 387.465 3.042 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1cccc(F)c1C ZINC000821701370 599657639 /nfs/dbraw/zinc/65/76/39/599657639.db2.gz MAYYDCPIYPKIBQ-UHFFFAOYSA-N -1 3 385.399 3.121 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1cccc(F)c1C ZINC000821701370 599657640 /nfs/dbraw/zinc/65/76/40/599657640.db2.gz MAYYDCPIYPKIBQ-UHFFFAOYSA-N -1 3 385.399 3.121 20 0 GGADHM Cc1ccc(SCCOC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822271264 599658040 /nfs/dbraw/zinc/65/80/40/599658040.db2.gz UBYQZXJFGCZIKI-UHFFFAOYSA-N -1 3 383.477 3.231 20 0 GGADHM Cc1ccccc1C(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822345137 599658947 /nfs/dbraw/zinc/65/89/47/599658947.db2.gz FUKRDQOIRXLPHK-CQSZACIVSA-N -1 3 393.447 3.023 20 0 GGADHM Cc1ccccc1C(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822345137 599658948 /nfs/dbraw/zinc/65/89/48/599658948.db2.gz FUKRDQOIRXLPHK-CQSZACIVSA-N -1 3 393.447 3.023 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820903180 599661589 /nfs/dbraw/zinc/66/15/89/599661589.db2.gz RQPUCKWHOKNQIF-HIFRSBDPSA-N -1 3 385.468 3.343 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820903180 599661590 /nfs/dbraw/zinc/66/15/90/599661590.db2.gz RQPUCKWHOKNQIF-HIFRSBDPSA-N -1 3 385.468 3.343 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cc2occc2s1 ZINC000823443865 599662741 /nfs/dbraw/zinc/66/27/41/599662741.db2.gz GBPZNBWLYNKJIN-UHFFFAOYSA-N -1 3 394.372 3.081 20 0 GGADHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cc2occc2s1 ZINC000823443865 599662742 /nfs/dbraw/zinc/66/27/42/599662742.db2.gz GBPZNBWLYNKJIN-UHFFFAOYSA-N -1 3 394.372 3.081 20 0 GGADHM CCC(=CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000820833282 599663167 /nfs/dbraw/zinc/66/31/67/599663167.db2.gz VKWRBCDMVDQDIQ-RAXLEYEMSA-N -1 3 397.460 3.212 20 0 GGADHM CCC(=CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000820833282 599663168 /nfs/dbraw/zinc/66/31/68/599663168.db2.gz VKWRBCDMVDQDIQ-RAXLEYEMSA-N -1 3 397.460 3.212 20 0 GGADHM C[C@@H](OC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820481723 599665016 /nfs/dbraw/zinc/66/50/16/599665016.db2.gz ZCQSPXRQKFOWPU-VXGBXAGGSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@@H](OC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820481723 599665017 /nfs/dbraw/zinc/66/50/17/599665017.db2.gz ZCQSPXRQKFOWPU-VXGBXAGGSA-N -1 3 399.838 3.194 20 0 GGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822224069 599666818 /nfs/dbraw/zinc/66/68/18/599666818.db2.gz VFMPHMPCFZBDJB-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822224069 599666819 /nfs/dbraw/zinc/66/68/19/599666819.db2.gz VFMPHMPCFZBDJB-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1ccc(-c2ocnc2C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822223794 599666853 /nfs/dbraw/zinc/66/68/53/599666853.db2.gz KKZTYWNGMARQAU-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM Cc1ccc(-c2ocnc2C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822223794 599666854 /nfs/dbraw/zinc/66/68/54/599666854.db2.gz KKZTYWNGMARQAU-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820226061 599667220 /nfs/dbraw/zinc/66/72/20/599667220.db2.gz SXQMJRWPSKACPN-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820226061 599667221 /nfs/dbraw/zinc/66/72/21/599667221.db2.gz SXQMJRWPSKACPN-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822232815 599669222 /nfs/dbraw/zinc/66/92/22/599669222.db2.gz BLJGXPWZLKCCFN-RTBURBONSA-N -1 3 378.432 3.386 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822232815 599669223 /nfs/dbraw/zinc/66/92/23/599669223.db2.gz BLJGXPWZLKCCFN-RTBURBONSA-N -1 3 378.432 3.386 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820254861 599669696 /nfs/dbraw/zinc/66/96/96/599669696.db2.gz YNZNPVRNQNUKNH-AWEZNQCLSA-N -1 3 384.411 3.197 20 0 GGADHM C[C@@H](CCc1ccccc1F)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820254861 599669697 /nfs/dbraw/zinc/66/96/97/599669697.db2.gz YNZNPVRNQNUKNH-AWEZNQCLSA-N -1 3 384.411 3.197 20 0 GGADHM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(C)cc(F)c2)c1-c1nnn[n-]1 ZINC000822203365 599669827 /nfs/dbraw/zinc/66/98/27/599669827.db2.gz PZNKUXWHRNXIBW-UHFFFAOYSA-N -1 3 392.394 3.165 20 0 GGADHM O=C(CCCC1CCCC1)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822955186 599670665 /nfs/dbraw/zinc/67/06/65/599670665.db2.gz LKRPDEAGGVVPTI-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(CCCC1CCCC1)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822955186 599670666 /nfs/dbraw/zinc/67/06/66/599670666.db2.gz LKRPDEAGGVVPTI-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823417958 599672033 /nfs/dbraw/zinc/67/20/33/599672033.db2.gz MKHQGQFVHIUMNT-UWJYYQICSA-N -1 3 378.407 3.343 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823417958 599672034 /nfs/dbraw/zinc/67/20/34/599672034.db2.gz MKHQGQFVHIUMNT-UWJYYQICSA-N -1 3 378.407 3.343 20 0 GGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823409769 599672296 /nfs/dbraw/zinc/67/22/96/599672296.db2.gz LYEWJRBARKYEIY-GCJKJVERSA-N -1 3 390.443 3.083 20 0 GGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823409769 599672297 /nfs/dbraw/zinc/67/22/97/599672297.db2.gz LYEWJRBARKYEIY-GCJKJVERSA-N -1 3 390.443 3.083 20 0 GGADHM CC1(C)CCC(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000820589615 599675642 /nfs/dbraw/zinc/67/56/42/599675642.db2.gz JAYMVZWYOYCMTC-UHFFFAOYSA-N -1 3 398.511 3.388 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CC)c1ccncc1 ZINC000821104983 599675793 /nfs/dbraw/zinc/67/57/93/599675793.db2.gz UIVKTKFLVGLCBE-SFHVURJKSA-N -1 3 379.468 3.335 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CC)c1ccncc1 ZINC000821104983 599675794 /nfs/dbraw/zinc/67/57/94/599675794.db2.gz UIVKTKFLVGLCBE-SFHVURJKSA-N -1 3 379.468 3.335 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000822459108 599682715 /nfs/dbraw/zinc/68/27/15/599682715.db2.gz MTZWJXIDKYLNRI-BZNIZROVSA-N -1 3 397.508 3.412 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000822459108 599682716 /nfs/dbraw/zinc/68/27/16/599682716.db2.gz MTZWJXIDKYLNRI-BZNIZROVSA-N -1 3 397.508 3.412 20 0 GGADHM CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820847353 599682888 /nfs/dbraw/zinc/68/28/88/599682888.db2.gz BNVXTBCHNQAPOW-UHFFFAOYSA-N -1 3 385.493 3.033 20 0 GGADHM CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820847353 599682889 /nfs/dbraw/zinc/68/28/89/599682889.db2.gz BNVXTBCHNQAPOW-UHFFFAOYSA-N -1 3 385.493 3.033 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc2cnccc21 ZINC000820292785 599684163 /nfs/dbraw/zinc/68/41/63/599684163.db2.gz GYLSHWZNOCXQAQ-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc2cnccc21 ZINC000820292785 599684164 /nfs/dbraw/zinc/68/41/64/599684164.db2.gz GYLSHWZNOCXQAQ-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM COc1ccc2cc([C@@H](C)OC(=O)c3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC000821854530 599684307 /nfs/dbraw/zinc/68/43/07/599684307.db2.gz LYFDMPGSENCTDT-GFCCVEGCSA-N -1 3 375.388 3.342 20 0 GGADHM COc1ccc2cc([C@@H](C)OC(=O)c3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC000821854530 599684308 /nfs/dbraw/zinc/68/43/08/599684308.db2.gz LYFDMPGSENCTDT-GFCCVEGCSA-N -1 3 375.388 3.342 20 0 GGADHM COCc1nc(C)cc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000821696152 599685695 /nfs/dbraw/zinc/68/56/95/599685695.db2.gz YQMSFDBPEPQJIL-UHFFFAOYSA-N -1 3 393.476 3.452 20 0 GGADHM Cc1ccc(-c2nc(CNc3c(-c4nnn[n-]4)cnc4ccccc43)co2)cc1 ZINC000822214034 599688558 /nfs/dbraw/zinc/68/85/58/599688558.db2.gz MIOSIGAEPDDPPS-UHFFFAOYSA-N -1 3 383.415 3.412 20 0 GGADHM Cc1ccc(-c2nc(CNc3c(-c4nn[n-]n4)cnc4ccccc43)co2)cc1 ZINC000822214034 599688559 /nfs/dbraw/zinc/68/85/59/599688559.db2.gz MIOSIGAEPDDPPS-UHFFFAOYSA-N -1 3 383.415 3.412 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)Nc3cccc(F)c3-c3nnn[n-]3)ccc2NC1=O ZINC000821000516 599689029 /nfs/dbraw/zinc/68/90/29/599689029.db2.gz GLJCJEDIUGSFKX-BONVTDFDSA-N -1 3 382.399 3.288 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)Nc3cccc(F)c3-c3nn[n-]n3)ccc2NC1=O ZINC000821000516 599689030 /nfs/dbraw/zinc/68/90/30/599689030.db2.gz GLJCJEDIUGSFKX-BONVTDFDSA-N -1 3 382.399 3.288 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)Nc3ncc(-c4nnn[n-]4)cc3Cl)ccc2NC1=O ZINC000821001621 599689204 /nfs/dbraw/zinc/68/92/04/599689204.db2.gz SALMVXCOTZDFPR-XPTSAGLGSA-N -1 3 399.842 3.198 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)Nc3ncc(-c4nn[n-]n4)cc3Cl)ccc2NC1=O ZINC000821001621 599689205 /nfs/dbraw/zinc/68/92/05/599689205.db2.gz SALMVXCOTZDFPR-XPTSAGLGSA-N -1 3 399.842 3.198 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000823359555 599691588 /nfs/dbraw/zinc/69/15/88/599691588.db2.gz PTJYCBMBYBIXIY-LJQANCHMSA-N -1 3 392.463 3.161 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000823359555 599691589 /nfs/dbraw/zinc/69/15/89/599691589.db2.gz PTJYCBMBYBIXIY-LJQANCHMSA-N -1 3 392.463 3.161 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000822217527 599693165 /nfs/dbraw/zinc/69/31/65/599693165.db2.gz HBNACGCKUAIMAT-AWEZNQCLSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000822217527 599693166 /nfs/dbraw/zinc/69/31/66/599693166.db2.gz HBNACGCKUAIMAT-AWEZNQCLSA-N -1 3 388.435 3.244 20 0 GGADHM CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1(C)C ZINC000821678780 599693670 /nfs/dbraw/zinc/69/36/70/599693670.db2.gz SCAQLCJCKNDEFD-WBMJQRKESA-N -1 3 398.389 3.211 20 0 GGADHM CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1(C)C ZINC000821678780 599693671 /nfs/dbraw/zinc/69/36/71/599693671.db2.gz SCAQLCJCKNDEFD-WBMJQRKESA-N -1 3 398.389 3.211 20 0 GGADHM Cc1c(F)cccc1NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822035711 599693705 /nfs/dbraw/zinc/69/37/05/599693705.db2.gz YOSMKGPQJLVIIO-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cc1c(F)cccc1NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822035711 599693706 /nfs/dbraw/zinc/69/37/06/599693706.db2.gz YOSMKGPQJLVIIO-UHFFFAOYSA-N -1 3 396.426 3.390 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c2c1 ZINC000822275555 599695169 /nfs/dbraw/zinc/69/51/69/599695169.db2.gz VADIDTDGBPUBEJ-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c2c1 ZINC000822275555 599695170 /nfs/dbraw/zinc/69/51/70/599695170.db2.gz VADIDTDGBPUBEJ-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822345680 599695287 /nfs/dbraw/zinc/69/52/87/599695287.db2.gz OUKSAUFTVPWOAS-LBPRGKRZSA-N -1 3 376.376 3.143 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822345680 599695288 /nfs/dbraw/zinc/69/52/88/599695288.db2.gz OUKSAUFTVPWOAS-LBPRGKRZSA-N -1 3 376.376 3.143 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000821699252 599695989 /nfs/dbraw/zinc/69/59/89/599695989.db2.gz IJOVSENJCSLBIO-UHFFFAOYSA-N -1 3 377.404 3.203 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000821699252 599695990 /nfs/dbraw/zinc/69/59/90/599695990.db2.gz IJOVSENJCSLBIO-UHFFFAOYSA-N -1 3 377.404 3.203 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1oc(-c2ccccc2)nc1C ZINC000821700638 599696044 /nfs/dbraw/zinc/69/60/44/599696044.db2.gz UAYCNQXJCVNWKA-UHFFFAOYSA-N -1 3 377.360 3.058 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1oc(-c2ccccc2)nc1C ZINC000821700638 599696045 /nfs/dbraw/zinc/69/60/45/599696045.db2.gz UAYCNQXJCVNWKA-UHFFFAOYSA-N -1 3 377.360 3.058 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C ZINC000822216548 599698695 /nfs/dbraw/zinc/69/86/95/599698695.db2.gz RSTNROJFOGPLEM-MRXNPFEDSA-N -1 3 388.834 3.209 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C ZINC000822216548 599698696 /nfs/dbraw/zinc/69/86/96/599698696.db2.gz RSTNROJFOGPLEM-MRXNPFEDSA-N -1 3 388.834 3.209 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1=CCCCO1 ZINC000823350418 599700336 /nfs/dbraw/zinc/70/03/36/599700336.db2.gz MDZQUWBNPBGSHA-UHFFFAOYSA-N -1 3 395.394 3.218 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1=CCCCO1 ZINC000823350418 599700337 /nfs/dbraw/zinc/70/03/37/599700337.db2.gz MDZQUWBNPBGSHA-UHFFFAOYSA-N -1 3 395.394 3.218 20 0 GGADHM CCCC[C@H](C(=O)[O-])N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000736981441 599705949 /nfs/dbraw/zinc/70/59/49/599705949.db2.gz ZCBLBLNWONINNV-MRXNPFEDSA-N -1 3 392.887 3.151 20 0 GGADHM CCCC[C@H](C(=O)[O-])N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000736980399 599706587 /nfs/dbraw/zinc/70/65/87/599706587.db2.gz UIBCMXQOYBJDGL-SJLPKXTDSA-N -1 3 386.496 3.367 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000739626020 599709305 /nfs/dbraw/zinc/70/93/05/599709305.db2.gz RKVVCLHNTAOSDJ-DENIHFKCSA-N -1 3 392.499 3.294 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000184997706 599714635 /nfs/dbraw/zinc/71/46/35/599714635.db2.gz SQMPFUVXXKSGKG-OAHLLOKOSA-N -1 3 390.505 3.101 20 0 GGADHM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000184997329 599714933 /nfs/dbraw/zinc/71/49/33/599714933.db2.gz RBTPCUOAFRBZNS-OAHLLOKOSA-N -1 3 390.505 3.101 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000820518398 607389353 /nfs/dbraw/zinc/38/93/53/607389353.db2.gz DAFYLWCGMSTPQN-AWEZNQCLSA-N -1 3 393.422 3.089 20 0 GGADHM CCCCn1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1C ZINC000821082987 607391979 /nfs/dbraw/zinc/39/19/79/607391979.db2.gz RHNVTNXFHJPZFU-UHFFFAOYSA-N -1 3 381.484 3.223 20 0 GGADHM CCCCn1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1C ZINC000821082987 607391982 /nfs/dbraw/zinc/39/19/82/607391982.db2.gz RHNVTNXFHJPZFU-UHFFFAOYSA-N -1 3 381.484 3.223 20 0 GGADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000822400170 607392551 /nfs/dbraw/zinc/39/25/51/607392551.db2.gz YGWGKJOXDOUCFZ-MALLOTDXSA-N -1 3 380.477 3.408 20 0 GGADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000822400170 607392553 /nfs/dbraw/zinc/39/25/53/607392553.db2.gz YGWGKJOXDOUCFZ-MALLOTDXSA-N -1 3 380.477 3.408 20 0 GGADHM CN1CCCc2cc(NC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)ccc21 ZINC000826033913 607392739 /nfs/dbraw/zinc/39/27/39/607392739.db2.gz KPFFDIHZZHNMNQ-UHFFFAOYSA-N -1 3 389.463 3.060 20 0 GGADHM CN1CCCc2cc(NC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)ccc21 ZINC000826033913 607392741 /nfs/dbraw/zinc/39/27/41/607392741.db2.gz KPFFDIHZZHNMNQ-UHFFFAOYSA-N -1 3 389.463 3.060 20 0 GGADHM Cc1cc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc(C)c1OCC(=O)[O-] ZINC000738387151 599776404 /nfs/dbraw/zinc/77/64/04/599776404.db2.gz CRUUVGRNACGQIL-LJQANCHMSA-N -1 3 397.393 3.307 20 0 GGADHM Cc1cc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1N(C)C ZINC000826270372 607393637 /nfs/dbraw/zinc/39/36/37/607393637.db2.gz XJYUYPBROFYULN-UHFFFAOYSA-N -1 3 377.452 3.052 20 0 GGADHM Cc1cc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1N(C)C ZINC000826270372 607393638 /nfs/dbraw/zinc/39/36/38/607393638.db2.gz XJYUYPBROFYULN-UHFFFAOYSA-N -1 3 377.452 3.052 20 0 GGADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000737690703 599789294 /nfs/dbraw/zinc/78/92/94/599789294.db2.gz GBHHUEWQQMCDEI-OAHLLOKOSA-N -1 3 378.222 3.151 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1CCCCO1 ZINC000822211601 607393759 /nfs/dbraw/zinc/39/37/59/607393759.db2.gz HAWUUJLQCQVOJK-IBGZPJMESA-N -1 3 393.447 3.262 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1CCCCO1 ZINC000822211601 607393761 /nfs/dbraw/zinc/39/37/61/607393761.db2.gz HAWUUJLQCQVOJK-IBGZPJMESA-N -1 3 393.447 3.262 20 0 GGADHM Cc1c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000822230838 607393818 /nfs/dbraw/zinc/39/38/18/607393818.db2.gz RQPAHMQICXGMDL-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM Cc1c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000822230838 607393820 /nfs/dbraw/zinc/39/38/20/607393820.db2.gz RQPAHMQICXGMDL-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1-c1nnn[n-]1 ZINC000820161601 607396879 /nfs/dbraw/zinc/39/68/79/607396879.db2.gz XXWYTKZYUACWLV-AWEZNQCLSA-N -1 3 381.436 3.198 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1-c1nn[n-]n1 ZINC000820161601 607396881 /nfs/dbraw/zinc/39/68/81/607396881.db2.gz XXWYTKZYUACWLV-AWEZNQCLSA-N -1 3 381.436 3.198 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1-c1nnn[n-]1 ZINC000820160475 607399387 /nfs/dbraw/zinc/39/93/87/607399387.db2.gz LDRWDLSDMVQKJH-UHFFFAOYSA-N -1 3 381.411 3.463 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1-c1nn[n-]n1 ZINC000820160475 607399389 /nfs/dbraw/zinc/39/93/89/607399389.db2.gz LDRWDLSDMVQKJH-UHFFFAOYSA-N -1 3 381.411 3.463 20 0 GGADHM CC(C)Oc1ccc(NC(=O)CCSc2ccccn2)cc1-c1nnn[n-]1 ZINC000820160600 607399818 /nfs/dbraw/zinc/39/98/18/607399818.db2.gz MQYHHXGRKRVQRA-UHFFFAOYSA-N -1 3 384.465 3.170 20 0 GGADHM CC(C)Oc1ccc(NC(=O)CCSc2ccccn2)cc1-c1nn[n-]n1 ZINC000820160600 607399820 /nfs/dbraw/zinc/39/98/20/607399820.db2.gz MQYHHXGRKRVQRA-UHFFFAOYSA-N -1 3 384.465 3.170 20 0 GGADHM CC(C)Oc1ccc(NC(=O)CCOc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000820160589 607399871 /nfs/dbraw/zinc/39/98/71/607399871.db2.gz MBYOOFMKWWEQOD-UHFFFAOYSA-N -1 3 385.399 3.201 20 0 GGADHM CC(C)Oc1ccc(NC(=O)CCOc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000820160589 607399874 /nfs/dbraw/zinc/39/98/74/607399874.db2.gz MBYOOFMKWWEQOD-UHFFFAOYSA-N -1 3 385.399 3.201 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccccc1OCC(F)(F)F ZINC000826252490 607399898 /nfs/dbraw/zinc/39/98/98/607399898.db2.gz FHSYZVKHTDVVJK-UHFFFAOYSA-N -1 3 378.310 3.335 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccccc1OCC(F)(F)F ZINC000826252490 607399900 /nfs/dbraw/zinc/39/99/00/607399900.db2.gz FHSYZVKHTDVVJK-UHFFFAOYSA-N -1 3 378.310 3.335 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000826252612 607400219 /nfs/dbraw/zinc/40/02/19/607400219.db2.gz KPINWQJWKQCADT-UHFFFAOYSA-N -1 3 389.371 3.240 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000826252612 607400220 /nfs/dbraw/zinc/40/02/20/607400220.db2.gz KPINWQJWKQCADT-UHFFFAOYSA-N -1 3 389.371 3.240 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1-c1nnn[n-]1 ZINC000820170214 607400312 /nfs/dbraw/zinc/40/03/12/607400312.db2.gz UUDBXHWMXHODFO-UHFFFAOYSA-N -1 3 391.387 3.013 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1-c1nn[n-]n1 ZINC000820170214 607400313 /nfs/dbraw/zinc/40/03/13/607400313.db2.gz UUDBXHWMXHODFO-UHFFFAOYSA-N -1 3 391.387 3.013 20 0 GGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(OC(C)C)c(-c3nnn[n-]3)c1)C2 ZINC000822213007 607401188 /nfs/dbraw/zinc/40/11/88/607401188.db2.gz QNKWPCAHUCRARV-IBGZPJMESA-N -1 3 393.447 3.213 20 0 GGADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(OC(C)C)c(-c3nn[n-]n3)c1)C2 ZINC000822213007 607401189 /nfs/dbraw/zinc/40/11/89/607401189.db2.gz QNKWPCAHUCRARV-IBGZPJMESA-N -1 3 393.447 3.213 20 0 GGADHM COc1ccc([C@@H](NCc2cc(=O)oc3cc4c(cc23)CCC4)C(=O)[O-])cc1 ZINC000737972325 599862768 /nfs/dbraw/zinc/86/27/68/599862768.db2.gz NQUFHQLOBJBDCG-OAQYLSRUSA-N -1 3 379.412 3.206 20 0 GGADHM CC(=O)c1ccc(NC(=O)CCN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000736192645 599864284 /nfs/dbraw/zinc/86/42/84/599864284.db2.gz LOECJPHNQWCXGQ-UHFFFAOYSA-N -1 3 390.386 3.083 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)c(C)c2)CC1 ZINC000737122471 599895927 /nfs/dbraw/zinc/89/59/27/599895927.db2.gz JYBGORKNDMRNFX-UHFFFAOYSA-N -1 3 382.464 3.479 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccc(F)c(Cl)c1 ZINC000826253973 607405252 /nfs/dbraw/zinc/40/52/52/607405252.db2.gz NLVXNZZFTMFTAY-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccc(F)c(Cl)c1 ZINC000826253973 607405254 /nfs/dbraw/zinc/40/52/54/607405254.db2.gz NLVXNZZFTMFTAY-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1c(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cccc1C(=O)[O-] ZINC000738299168 599904920 /nfs/dbraw/zinc/90/49/20/599904920.db2.gz JVWLWYQKFCRQTO-UHFFFAOYSA-N -1 3 396.491 3.259 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc2nc(C)c(C)nc21 ZINC000826253794 607406776 /nfs/dbraw/zinc/40/67/76/607406776.db2.gz DTBBXCBXIAXXFY-UHFFFAOYSA-N -1 3 392.394 3.231 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc2nc(C)c(C)nc21 ZINC000826253794 607406778 /nfs/dbraw/zinc/40/67/78/607406778.db2.gz DTBBXCBXIAXXFY-UHFFFAOYSA-N -1 3 392.394 3.231 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000826254127 607406874 /nfs/dbraw/zinc/40/68/74/607406874.db2.gz VRDJFZMCMSPKIP-UHFFFAOYSA-N -1 3 398.854 3.181 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000826254127 607406875 /nfs/dbraw/zinc/40/68/75/607406875.db2.gz VRDJFZMCMSPKIP-UHFFFAOYSA-N -1 3 398.854 3.181 20 0 GGADHM COc1cccc(CN2CCC(NC(=O)c3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000738096226 599932216 /nfs/dbraw/zinc/93/22/16/599932216.db2.gz BRSICRWYITVCDU-UHFFFAOYSA-N -1 3 383.448 3.180 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737370741 599934147 /nfs/dbraw/zinc/93/41/47/599934147.db2.gz RSHMDWQNTTVQMF-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570305 599951638 /nfs/dbraw/zinc/95/16/38/599951638.db2.gz YYFNBSKFUDFDEY-FOIQADDNSA-N -1 3 386.517 3.447 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCOc1ccc(C)cc1 ZINC000821742069 607408690 /nfs/dbraw/zinc/40/86/90/607408690.db2.gz YOKYUVCDBYYPLP-UHFFFAOYSA-N -1 3 382.420 3.086 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCOc1ccc(C)cc1 ZINC000821742069 607408692 /nfs/dbraw/zinc/40/86/92/607408692.db2.gz YOKYUVCDBYYPLP-UHFFFAOYSA-N -1 3 382.420 3.086 20 0 GGADHM CC1(C)CN(C2(CNC(=O)Nc3ccc(C(=O)[O-])cc3)CCCCC2)CCO1 ZINC000736736110 599955220 /nfs/dbraw/zinc/95/52/20/599955220.db2.gz WBGDPYDKPBPFMF-UHFFFAOYSA-N -1 3 389.496 3.320 20 0 GGADHM CC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1CCOC ZINC000736943353 599960559 /nfs/dbraw/zinc/96/05/59/599960559.db2.gz LFMYNUGEVPKYTA-CYBMUJFWSA-N -1 3 380.485 3.281 20 0 GGADHM CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284358 599975954 /nfs/dbraw/zinc/97/59/54/599975954.db2.gz HXVRTKXFRHVVNW-NVXWUHKLSA-N -1 3 384.480 3.116 20 0 GGADHM CCc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284356 599976011 /nfs/dbraw/zinc/97/60/11/599976011.db2.gz HXVRTKXFRHVVNW-DOTOQJQBSA-N -1 3 384.480 3.116 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127468 599992858 /nfs/dbraw/zinc/99/28/58/599992858.db2.gz KMNUJKAFPOLPFH-XLIONFOSSA-N -1 3 385.460 3.360 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)Oc1ccccc1Cl ZINC000821737385 607411595 /nfs/dbraw/zinc/41/15/95/607411595.db2.gz WFIGDEPBMVMMCZ-NSHDSACASA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)Oc1ccccc1Cl ZINC000821737385 607411597 /nfs/dbraw/zinc/41/15/97/607411597.db2.gz WFIGDEPBMVMMCZ-NSHDSACASA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000821737383 607411671 /nfs/dbraw/zinc/41/16/71/607411671.db2.gz WFIGDEPBMVMMCZ-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000821737383 607411672 /nfs/dbraw/zinc/41/16/72/607411672.db2.gz WFIGDEPBMVMMCZ-LLVKDONJSA-N -1 3 388.811 3.039 20 0 GGADHM CC1CCN([C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000263071438 600012720 /nfs/dbraw/zinc/01/27/20/600012720.db2.gz TVYCUZWGNNBAMV-OFLPRAFFSA-N -1 3 393.553 3.464 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000740203578 600013771 /nfs/dbraw/zinc/01/37/71/600013771.db2.gz OXELVKZTJSBQIV-KRWDZBQOSA-N -1 3 385.489 3.309 20 0 GGADHM CC[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000736903967 600016137 /nfs/dbraw/zinc/01/61/37/600016137.db2.gz DSALXOOHPGUYKS-NRFANRHFSA-N -1 3 393.487 3.247 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C2 ZINC000740204341 600016382 /nfs/dbraw/zinc/01/63/82/600016382.db2.gz SWGFPVCLTPHXGV-FQEVSTJZSA-N -1 3 379.460 3.247 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000740203438 600017496 /nfs/dbraw/zinc/01/74/96/600017496.db2.gz NJPIIUUWTLUJTL-FQEVSTJZSA-N -1 3 379.460 3.075 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C2 ZINC000740204950 600021183 /nfs/dbraw/zinc/02/11/83/600021183.db2.gz ZOVVQFTULZMVOF-OAQYLSRUSA-N -1 3 393.487 3.465 20 0 GGADHM O=C([O-])CSCc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000739873315 600022773 /nfs/dbraw/zinc/02/27/73/600022773.db2.gz OVIKQLQQLBHCKE-LJQANCHMSA-N -1 3 399.516 3.400 20 0 GGADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000740024844 600026021 /nfs/dbraw/zinc/02/60/21/600026021.db2.gz LXOZOITWYXWFJI-HXUWFJFHSA-N -1 3 381.476 3.490 20 0 GGADHM O=C(CSc1ccccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421120 607414796 /nfs/dbraw/zinc/41/47/96/607414796.db2.gz SOTQZNNGESJERK-UHFFFAOYSA-N -1 3 385.880 3.418 20 0 GGADHM O=C(CSc1ccccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421120 607414797 /nfs/dbraw/zinc/41/47/97/607414797.db2.gz SOTQZNNGESJERK-UHFFFAOYSA-N -1 3 385.880 3.418 20 0 GGADHM COc1ccc([C@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000737957571 600034277 /nfs/dbraw/zinc/03/42/77/600034277.db2.gz OKPCXVGWTLSMPE-NRFANRHFSA-N -1 3 396.487 3.279 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=S)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000740202671 600034349 /nfs/dbraw/zinc/03/43/49/600034349.db2.gz KKDOJFAQOLSBQC-UHFFFAOYSA-N -1 3 395.528 3.240 20 0 GGADHM CC[C@H](C)N(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000736883898 600036827 /nfs/dbraw/zinc/03/68/27/600036827.db2.gz PMEUEBGPZUDYTG-LAUBAEHRSA-N -1 3 380.488 3.325 20 0 GGADHM O=C([O-])c1ccc(CCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739256551 600042593 /nfs/dbraw/zinc/04/25/93/600042593.db2.gz NGZQAGCCYIIHHU-NRFANRHFSA-N -1 3 380.488 3.488 20 0 GGADHM CC[C@H](NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(C)cc1 ZINC000736915828 600045806 /nfs/dbraw/zinc/04/58/06/600045806.db2.gz FNTSDGZLNYAKGK-FPOVZHCZSA-N -1 3 393.487 3.329 20 0 GGADHM CC[C@H](NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(C)cc1 ZINC000736915829 600045837 /nfs/dbraw/zinc/04/58/37/600045837.db2.gz FNTSDGZLNYAKGK-PZJWPPBQSA-N -1 3 393.487 3.329 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000736390039 600048145 /nfs/dbraw/zinc/04/81/45/600048145.db2.gz NTRFAPKBEHFOGT-HXUWFJFHSA-N -1 3 384.432 3.081 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000736389274 600048148 /nfs/dbraw/zinc/04/81/48/600048148.db2.gz HBIUBPSWOHODEF-FQEVSTJZSA-N -1 3 384.432 3.081 20 0 GGADHM COc1ccc([C@@H](NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C(C)C)cc1 ZINC000737975587 600048572 /nfs/dbraw/zinc/04/85/72/600048572.db2.gz ZBZWEDWBQAUTCV-IRLDBZIGSA-N -1 3 396.487 3.020 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000739623096 600050345 /nfs/dbraw/zinc/05/03/45/600050345.db2.gz BOOOHSFMSDHJDY-PZJWPPBQSA-N -1 3 398.890 3.419 20 0 GGADHM CCN(CC)[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000821175652 607416128 /nfs/dbraw/zinc/41/61/28/607416128.db2.gz RKFUKCCDAGVNRS-LJQANCHMSA-N -1 3 395.463 3.002 20 0 GGADHM CC(=O)Nc1cccc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000736169037 600078433 /nfs/dbraw/zinc/07/84/33/600078433.db2.gz XUFHRFWKWRPTOT-GOSISDBHSA-N -1 3 391.265 3.497 20 0 GGADHM COC(=O)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000737691955 600079757 /nfs/dbraw/zinc/07/97/57/600079757.db2.gz WDKDERWGYOVPQS-GOSISDBHSA-N -1 3 392.249 3.325 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)CCOc1ccccc1 ZINC000821736730 607418044 /nfs/dbraw/zinc/41/80/44/607418044.db2.gz NCHOGGWAMWEJJV-CQSZACIVSA-N -1 3 382.420 3.024 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)CCOc1ccccc1 ZINC000821736730 607418046 /nfs/dbraw/zinc/41/80/46/607418046.db2.gz NCHOGGWAMWEJJV-CQSZACIVSA-N -1 3 382.420 3.024 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000821736210 607418055 /nfs/dbraw/zinc/41/80/55/607418055.db2.gz GOGLYVHXUKDULS-CHWSQXEVSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000821736210 607418057 /nfs/dbraw/zinc/41/80/57/607418057.db2.gz GOGLYVHXUKDULS-CHWSQXEVSA-N -1 3 386.358 3.000 20 0 GGADHM CC(C)N1CCC(N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736474878 600082056 /nfs/dbraw/zinc/08/20/56/600082056.db2.gz PLIAOTTURDKPIE-UHFFFAOYSA-N -1 3 396.534 3.093 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000740077726 600091677 /nfs/dbraw/zinc/09/16/77/600091677.db2.gz HKJZCXUEBCZJOG-UHFFFAOYSA-N -1 3 382.435 3.325 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1c[nH]c2c1cccc2C ZINC000821741056 607418678 /nfs/dbraw/zinc/41/86/78/607418678.db2.gz GWBIVYWSZWGLRI-UHFFFAOYSA-N -1 3 391.431 3.341 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1c[nH]c2c1cccc2C ZINC000821741056 607418679 /nfs/dbraw/zinc/41/86/79/607418679.db2.gz GWBIVYWSZWGLRI-UHFFFAOYSA-N -1 3 391.431 3.341 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](CNc3cc(C)ccn3)C2)c(C)c1C(=O)[O-] ZINC000738798948 600096681 /nfs/dbraw/zinc/09/66/81/600096681.db2.gz VWYJCQWGEYAVGE-HOTGVXAUSA-N -1 3 384.480 3.038 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000740080202 600100888 /nfs/dbraw/zinc/10/08/88/600100888.db2.gz ZBHIDIMKWUFYIF-UHFFFAOYSA-N -1 3 382.395 3.349 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826400722 607419691 /nfs/dbraw/zinc/41/96/91/607419691.db2.gz GKIZTBYGJGXHEW-KHPPLWFESA-N -1 3 382.427 3.234 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826400722 607419693 /nfs/dbraw/zinc/41/96/93/607419693.db2.gz GKIZTBYGJGXHEW-KHPPLWFESA-N -1 3 382.427 3.234 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000821745181 607420088 /nfs/dbraw/zinc/42/00/88/607420088.db2.gz ILPAUXSQRWDMKO-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000826427951 607420343 /nfs/dbraw/zinc/42/03/43/607420343.db2.gz IMKPHVICTFGXBL-SIKLNZKXSA-N -1 3 385.471 3.266 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000826427951 607420345 /nfs/dbraw/zinc/42/03/45/607420345.db2.gz IMKPHVICTFGXBL-SIKLNZKXSA-N -1 3 385.471 3.266 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000826427852 607420349 /nfs/dbraw/zinc/42/03/49/607420349.db2.gz DHZRJOWSAZTXFZ-UHFFFAOYSA-N -1 3 378.823 3.421 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000826427852 607420351 /nfs/dbraw/zinc/42/03/51/607420351.db2.gz DHZRJOWSAZTXFZ-UHFFFAOYSA-N -1 3 378.823 3.421 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)CC1 ZINC000737122025 600112362 /nfs/dbraw/zinc/11/23/62/600112362.db2.gz GKSMRWYBQRBJQN-UHFFFAOYSA-N -1 3 394.475 3.074 20 0 GGADHM C[C@H](CCc1cccc(F)c1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824406244 607420569 /nfs/dbraw/zinc/42/05/69/607420569.db2.gz GNRNAAZVHFUGPY-CQSZACIVSA-N -1 3 379.439 3.380 20 0 GGADHM C[C@H](CCc1cccc(F)c1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824406244 607420571 /nfs/dbraw/zinc/42/05/71/607420571.db2.gz GNRNAAZVHFUGPY-CQSZACIVSA-N -1 3 379.439 3.380 20 0 GGADHM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1cc(C2CC2)[nH]n1 ZINC000736726755 600118693 /nfs/dbraw/zinc/11/86/93/600118693.db2.gz XCQNOHCYZHWWGP-LBPRGKRZSA-N -1 3 380.404 3.377 20 0 GGADHM CC[C@@](NCCS(=O)(=O)c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000736919077 600130483 /nfs/dbraw/zinc/13/04/83/600130483.db2.gz XJFWRTLIEYUCGJ-SFHVURJKSA-N -1 3 381.881 3.093 20 0 GGADHM O=C(C=Cc1nc2ccccc2s1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826403057 607422910 /nfs/dbraw/zinc/42/29/10/607422910.db2.gz IYUHWPRESBKPJL-CMDGGOBGSA-N -1 3 388.456 3.295 20 0 GGADHM O=C(C=Cc1nc2ccccc2s1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826403057 607422911 /nfs/dbraw/zinc/42/29/11/607422911.db2.gz IYUHWPRESBKPJL-CMDGGOBGSA-N -1 3 388.456 3.295 20 0 GGADHM CC[C@](NCc1cc(=O)oc2cc(NC(C)=O)ccc12)(C(=O)[O-])c1ccccc1 ZINC000736918246 600131793 /nfs/dbraw/zinc/13/17/93/600131793.db2.gz RJPGSXMTSWAKOM-JOCHJYFZSA-N -1 3 394.427 3.231 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826428049 607424600 /nfs/dbraw/zinc/42/46/00/607424600.db2.gz MVSKQQHLKREQAB-GDBMZVCRSA-N -1 3 381.386 3.054 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826428049 607424601 /nfs/dbraw/zinc/42/46/01/607424601.db2.gz MVSKQQHLKREQAB-GDBMZVCRSA-N -1 3 381.386 3.054 20 0 GGADHM CS[C@H]1CC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC000821951170 607424744 /nfs/dbraw/zinc/42/47/44/607424744.db2.gz VNPKVOLWXCDHPT-YPMHNXCESA-N -1 3 376.486 3.060 20 0 GGADHM CS[C@H]1CC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC000821951170 607424747 /nfs/dbraw/zinc/42/47/47/607424747.db2.gz VNPKVOLWXCDHPT-YPMHNXCESA-N -1 3 376.486 3.060 20 0 GGADHM CCOc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821421665 607425039 /nfs/dbraw/zinc/42/50/39/607425039.db2.gz BYPMWJHASPIUQE-UHFFFAOYSA-N -1 3 396.451 3.374 20 0 GGADHM CCOc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821421665 607425040 /nfs/dbraw/zinc/42/50/40/607425040.db2.gz BYPMWJHASPIUQE-UHFFFAOYSA-N -1 3 396.451 3.374 20 0 GGADHM CCC(CC)N(CCOC)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820897410 607426860 /nfs/dbraw/zinc/42/68/60/607426860.db2.gz DKFYJDAAHRPWBH-UHFFFAOYSA-N -1 3 390.488 3.323 20 0 GGADHM CCC(CC)N(CCOC)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820897410 607426861 /nfs/dbraw/zinc/42/68/61/607426861.db2.gz DKFYJDAAHRPWBH-UHFFFAOYSA-N -1 3 390.488 3.323 20 0 GGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C(=O)c1cccc(F)c1 ZINC000824384975 607421775 /nfs/dbraw/zinc/42/17/75/607421775.db2.gz IZZNAYNXKVTXOU-ZDUSSCGKSA-N -1 3 393.422 3.020 20 0 GGADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C(=O)c1cccc(F)c1 ZINC000824384975 607421777 /nfs/dbraw/zinc/42/17/77/607421777.db2.gz IZZNAYNXKVTXOU-ZDUSSCGKSA-N -1 3 393.422 3.020 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000826428310 607421782 /nfs/dbraw/zinc/42/17/82/607421782.db2.gz XYDIOVJJUILAGK-UHFFFAOYSA-N -1 3 389.337 3.184 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000826428310 607421784 /nfs/dbraw/zinc/42/17/84/607421784.db2.gz XYDIOVJJUILAGK-UHFFFAOYSA-N -1 3 389.337 3.184 20 0 GGADHM CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313538 600193463 /nfs/dbraw/zinc/19/34/63/600193463.db2.gz KTWBRBYHQBJMPX-UYAOXDASSA-N -1 3 384.451 3.322 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c[nH]c2cc(Cl)ccc12 ZINC000826428278 607421989 /nfs/dbraw/zinc/42/19/89/607421989.db2.gz VQCWWOFNFVJZHJ-UHFFFAOYSA-N -1 3 378.823 3.421 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c[nH]c2cc(Cl)ccc12 ZINC000826428278 607421991 /nfs/dbraw/zinc/42/19/91/607421991.db2.gz VQCWWOFNFVJZHJ-UHFFFAOYSA-N -1 3 378.823 3.421 20 0 GGADHM Cc1c(NC(=O)CCCN2CCN(c3ccccc3)CC2)cccc1C(=O)[O-] ZINC000738298327 600193753 /nfs/dbraw/zinc/19/37/53/600193753.db2.gz AOYJXMRHRVCPQK-UHFFFAOYSA-N -1 3 381.476 3.234 20 0 GGADHM O=C([O-])c1c(F)cccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000739231942 600202841 /nfs/dbraw/zinc/20/28/41/600202841.db2.gz GODOOFJWYFROMW-UHFFFAOYSA-N -1 3 385.439 3.065 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000739756340 600202869 /nfs/dbraw/zinc/20/28/69/600202869.db2.gz RLQUYXYKQPOJOT-UHFFFAOYSA-N -1 3 395.503 3.245 20 0 GGADHM Cc1ccc(OCCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826292548 607427552 /nfs/dbraw/zinc/42/75/52/607427552.db2.gz ZILGEMHLEAZRCB-UHFFFAOYSA-N -1 3 391.475 3.448 20 0 GGADHM Cc1ccc(OCCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826292548 607427553 /nfs/dbraw/zinc/42/75/53/607427553.db2.gz ZILGEMHLEAZRCB-UHFFFAOYSA-N -1 3 391.475 3.448 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826427918 607427555 /nfs/dbraw/zinc/42/75/55/607427555.db2.gz HFZKECXTHWGRLL-GJZGRUSLSA-N -1 3 381.386 3.054 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826427918 607427556 /nfs/dbraw/zinc/42/75/56/607427556.db2.gz HFZKECXTHWGRLL-GJZGRUSLSA-N -1 3 381.386 3.054 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(OC2CCC2)cc1 ZINC000826428213 607427561 /nfs/dbraw/zinc/42/75/61/607427561.db2.gz SVCCYHPKQVNUCP-UHFFFAOYSA-N -1 3 375.432 3.217 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(OC2CCC2)cc1 ZINC000826428213 607427562 /nfs/dbraw/zinc/42/75/62/607427562.db2.gz SVCCYHPKQVNUCP-UHFFFAOYSA-N -1 3 375.432 3.217 20 0 GGADHM CCOc1ccccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821430862 607428367 /nfs/dbraw/zinc/42/83/67/607428367.db2.gz GSYSTUWIKJRABT-UHFFFAOYSA-N -1 3 396.451 3.374 20 0 GGADHM CCOc1ccccc1CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821430862 607428370 /nfs/dbraw/zinc/42/83/70/607428370.db2.gz GSYSTUWIKJRABT-UHFFFAOYSA-N -1 3 396.451 3.374 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)CNc2ccccc2)cc1-c1nnn[n-]1 ZINC000820281581 607429698 /nfs/dbraw/zinc/42/96/98/607429698.db2.gz WNCJWVKAKFDCKF-AWEZNQCLSA-N -1 3 395.467 3.276 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)CNc2ccccc2)cc1-c1nn[n-]n1 ZINC000820281581 607429699 /nfs/dbraw/zinc/42/96/99/607429699.db2.gz WNCJWVKAKFDCKF-AWEZNQCLSA-N -1 3 395.467 3.276 20 0 GGADHM COc1cc(NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc(OC)c1 ZINC000821719391 607430204 /nfs/dbraw/zinc/43/02/04/607430204.db2.gz DCAMISKJNLBUOR-UHFFFAOYSA-N -1 3 398.423 3.315 20 0 GGADHM COc1cc(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc(OC)c1 ZINC000821719391 607430205 /nfs/dbraw/zinc/43/02/05/607430205.db2.gz DCAMISKJNLBUOR-UHFFFAOYSA-N -1 3 398.423 3.315 20 0 GGADHM Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826321021 607431213 /nfs/dbraw/zinc/43/12/13/607431213.db2.gz NWMINMPGMVBIEO-UHFFFAOYSA-N -1 3 382.371 3.149 20 0 GGADHM Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826321021 607431214 /nfs/dbraw/zinc/43/12/14/607431214.db2.gz NWMINMPGMVBIEO-UHFFFAOYSA-N -1 3 382.371 3.149 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)CCc2cccn2C)cc1-c1nnn[n-]1 ZINC000820253298 607431681 /nfs/dbraw/zinc/43/16/81/607431681.db2.gz HVIZLCBIBRXOOL-AWEZNQCLSA-N -1 3 397.483 3.135 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)CCc2cccn2C)cc1-c1nn[n-]n1 ZINC000820253298 607431683 /nfs/dbraw/zinc/43/16/83/607431683.db2.gz HVIZLCBIBRXOOL-AWEZNQCLSA-N -1 3 397.483 3.135 20 0 GGADHM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000738089287 600248867 /nfs/dbraw/zinc/24/88/67/600248867.db2.gz LVYFHVWXCUZNBH-UHFFFAOYSA-N -1 3 398.459 3.143 20 0 GGADHM O=C([O-])c1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cn1 ZINC000607832358 600259531 /nfs/dbraw/zinc/25/95/31/600259531.db2.gz OSYRLOGTSUOFBQ-UHFFFAOYSA-N -1 3 387.867 3.171 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000568061329 600262274 /nfs/dbraw/zinc/26/22/74/600262274.db2.gz CAYAVOQYHGHYRX-CRAIPNDOSA-N -1 3 384.451 3.093 20 0 GGADHM C[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000736203639 600266944 /nfs/dbraw/zinc/26/69/44/600266944.db2.gz DXVQGPPHRZKEEB-XLIONFOSSA-N -1 3 384.520 3.043 20 0 GGADHM C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000736203632 600266999 /nfs/dbraw/zinc/26/69/99/600266999.db2.gz DXVQGPPHRZKEEB-FXAWDEMLSA-N -1 3 384.520 3.043 20 0 GGADHM Cc1nc(-c2ccc(Br)cc2)nn1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000738827013 600280615 /nfs/dbraw/zinc/28/06/15/600280615.db2.gz DSYXJQIIIUNBKJ-OAHLLOKOSA-N -1 3 393.285 3.303 20 0 GGADHM C[C@@H](SCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2[nH]1 ZINC000824754072 607434714 /nfs/dbraw/zinc/43/47/14/607434714.db2.gz HQKYUFYLKRZZGP-GFCCVEGCSA-N -1 3 393.476 3.200 20 0 GGADHM C[C@@H](SCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000824754072 607434716 /nfs/dbraw/zinc/43/47/16/607434716.db2.gz HQKYUFYLKRZZGP-GFCCVEGCSA-N -1 3 393.476 3.200 20 0 GGADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736261790 600288017 /nfs/dbraw/zinc/28/80/17/600288017.db2.gz RYVAJXRTIPHEFL-QGZVFWFLSA-N -1 3 376.472 3.140 20 0 GGADHM CC[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCS1 ZINC000820987729 607435471 /nfs/dbraw/zinc/43/54/71/607435471.db2.gz BCMNVDNPXHEIIX-CYBMUJFWSA-N -1 3 376.486 3.013 20 0 GGADHM CC[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCS1 ZINC000820987729 607435472 /nfs/dbraw/zinc/43/54/72/607435472.db2.gz BCMNVDNPXHEIIX-CYBMUJFWSA-N -1 3 376.486 3.013 20 0 GGADHM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736634616 600303249 /nfs/dbraw/zinc/30/32/49/600303249.db2.gz ZEHTWOUSOHABMQ-YRNRMSPPSA-N -1 3 384.520 3.318 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000739983405 600309268 /nfs/dbraw/zinc/30/92/68/600309268.db2.gz ATIUIWAPCDYSOA-KRWDZBQOSA-N -1 3 385.439 3.444 20 0 GGADHM CCN(Cc1ccccn1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821230329 607433222 /nfs/dbraw/zinc/43/32/22/607433222.db2.gz HDYKTDCATHDCJA-UHFFFAOYSA-N -1 3 381.440 3.103 20 0 GGADHM CCN(Cc1ccccn1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821230329 607433224 /nfs/dbraw/zinc/43/32/24/607433224.db2.gz HDYKTDCATHDCJA-UHFFFAOYSA-N -1 3 381.440 3.103 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)CC1 ZINC000737122028 600334345 /nfs/dbraw/zinc/33/43/45/600334345.db2.gz GLFCFXAFENZRCT-UHFFFAOYSA-N -1 3 397.479 3.240 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)cc2)cc1-c1nnn[n-]1 ZINC000820301436 607433405 /nfs/dbraw/zinc/43/34/05/607433405.db2.gz YNBSQZXEYUUPNE-CYBMUJFWSA-N -1 3 396.451 3.112 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)cc2)cc1-c1nn[n-]n1 ZINC000820301436 607433406 /nfs/dbraw/zinc/43/34/06/607433406.db2.gz YNBSQZXEYUUPNE-CYBMUJFWSA-N -1 3 396.451 3.112 20 0 GGADHM CN(Cc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC000737483031 600341788 /nfs/dbraw/zinc/34/17/88/600341788.db2.gz PKFVXSLDXNDYEC-UHFFFAOYSA-N -1 3 376.501 3.382 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737084953 600344753 /nfs/dbraw/zinc/34/47/53/600344753.db2.gz GLOUWDHRLBOKET-JKSUJKDBSA-N -1 3 379.526 3.027 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000736798270 600348533 /nfs/dbraw/zinc/34/85/33/600348533.db2.gz UUFMZVPGZMDKTI-PMACEKPBSA-N -1 3 399.535 3.356 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000739988733 600349910 /nfs/dbraw/zinc/34/99/10/600349910.db2.gz VVSYGDIGNMZQHP-LJQANCHMSA-N -1 3 382.464 3.413 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000739987809 600349942 /nfs/dbraw/zinc/34/99/42/600349942.db2.gz FXGXILMPMFHPHJ-LJQANCHMSA-N -1 3 382.464 3.240 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000739988009 600357045 /nfs/dbraw/zinc/35/70/45/600357045.db2.gz JHSZIPVAPPHZFM-IBGZPJMESA-N -1 3 382.464 3.240 20 0 GGADHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CC[NH+]2CCCC2)cc1 ZINC000738277394 600360871 /nfs/dbraw/zinc/36/08/71/600360871.db2.gz WDCXRYAWKRXNJI-UHFFFAOYSA-N -1 3 388.489 3.132 20 0 GGADHM CC(C)c1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000824342037 607439962 /nfs/dbraw/zinc/43/99/62/607439962.db2.gz JPTNQDXKCMZDCJ-UHFFFAOYSA-N -1 3 387.447 3.452 20 0 GGADHM CC(C)c1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000824342037 607439964 /nfs/dbraw/zinc/43/99/64/607439964.db2.gz JPTNQDXKCMZDCJ-UHFFFAOYSA-N -1 3 387.447 3.452 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)cc2)CC1 ZINC000737116244 600388604 /nfs/dbraw/zinc/38/86/04/600388604.db2.gz POKDVACUWOPQIW-UHFFFAOYSA-N -1 3 382.464 3.195 20 0 GGADHM Cc1sc(NC(=O)CNC2(c3ccccc3)CCOCC2)c(C(=O)[O-])c1C ZINC000738399699 600393699 /nfs/dbraw/zinc/39/36/99/600393699.db2.gz WFFISNPESGDFNN-UHFFFAOYSA-N -1 3 388.489 3.297 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000736905385 600394539 /nfs/dbraw/zinc/39/45/39/600394539.db2.gz QJOLRAWGLBPBHE-KRWDZBQOSA-N -1 3 385.439 3.482 20 0 GGADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000739381753 600399610 /nfs/dbraw/zinc/39/96/10/600399610.db2.gz VMPRKLYMFKCULA-GOSISDBHSA-N -1 3 390.842 3.499 20 0 GGADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000739381754 600399844 /nfs/dbraw/zinc/39/98/44/600399844.db2.gz VMPRKLYMFKCULA-SFHVURJKSA-N -1 3 390.842 3.499 20 0 GGADHM C[C@@H]1CCCN(C(=O)C2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000736788634 600400458 /nfs/dbraw/zinc/40/04/58/600400458.db2.gz FSYRCFXQVCESDD-KDOFPFPSSA-N -1 3 378.900 3.436 20 0 GGADHM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000736322069 600402173 /nfs/dbraw/zinc/40/21/73/600402173.db2.gz NWHTYFKPNZRCEY-UHFFFAOYSA-N -1 3 385.439 3.482 20 0 GGADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000739381419 600402280 /nfs/dbraw/zinc/40/22/80/600402280.db2.gz LVMCPMFUDCXXBR-INIZCTEOSA-N -1 3 378.881 3.422 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825811802 607441335 /nfs/dbraw/zinc/44/13/35/607441335.db2.gz CEGVRLYVSWZSKH-HOTGVXAUSA-N -1 3 398.264 3.396 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825811802 607441337 /nfs/dbraw/zinc/44/13/37/607441337.db2.gz CEGVRLYVSWZSKH-HOTGVXAUSA-N -1 3 398.264 3.396 20 0 GGADHM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)N1CCCCCC1 ZINC000736212185 600405480 /nfs/dbraw/zinc/40/54/80/600405480.db2.gz QXOANKMFWFAEAH-CZUORRHYSA-N -1 3 397.313 3.346 20 0 GGADHM CC(C)n1ccnc1CN1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736532525 600406935 /nfs/dbraw/zinc/40/69/35/600406935.db2.gz SFYQVGJVLWPUGW-IBGZPJMESA-N -1 3 390.915 3.451 20 0 GGADHM CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817324 607441902 /nfs/dbraw/zinc/44/19/02/607441902.db2.gz HJQWNFLJKSXASO-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817324 607441903 /nfs/dbraw/zinc/44/19/03/607441903.db2.gz HJQWNFLJKSXASO-UHFFFAOYSA-N -1 3 391.353 3.361 20 0 GGADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000739501368 600430378 /nfs/dbraw/zinc/43/03/78/600430378.db2.gz XRNRTECBXNFATM-OAHLLOKOSA-N -1 3 396.212 3.275 20 0 GGADHM Cc1[nH]c(C(=O)CN(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154905 600438756 /nfs/dbraw/zinc/43/87/56/600438756.db2.gz WHOVYZVIAJGEBH-BEFAXECRSA-N -1 3 397.519 3.497 20 0 GGADHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2ccc(Br)s2)no1 ZINC000736432658 600441175 /nfs/dbraw/zinc/44/11/75/600441175.db2.gz RVWXEUFIRDQUSI-UHFFFAOYSA-N -1 3 388.287 3.493 20 0 GGADHM CN(Cc1cccc(C(=O)[O-])c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263490443 600441911 /nfs/dbraw/zinc/44/19/11/600441911.db2.gz QXPWWQGADKCRPP-INIZCTEOSA-N -1 3 383.366 3.275 20 0 GGADHM Cc1[nH]c(C(=O)CN(C)C2CCN(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738154478 600448018 /nfs/dbraw/zinc/44/80/18/600448018.db2.gz UNVXJKUYVRBNIV-UHFFFAOYSA-N -1 3 383.492 3.109 20 0 GGADHM Cc1cc(CN[C@@H]2CCCN(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000738389165 600451330 /nfs/dbraw/zinc/45/13/30/600451330.db2.gz OFMJQTQAUPDZGL-LJQANCHMSA-N -1 3 382.460 3.052 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736722809 600457032 /nfs/dbraw/zinc/45/70/32/600457032.db2.gz DVXCJZLQJYOBCU-JXFKEZNVSA-N -1 3 396.491 3.454 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(-c2ccccn2)s1 ZINC000826254240 607445524 /nfs/dbraw/zinc/44/55/24/607445524.db2.gz AREGEXZPWUEBGU-UHFFFAOYSA-N -1 3 378.417 3.051 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(-c2ccccn2)s1 ZINC000826254240 607445526 /nfs/dbraw/zinc/44/55/26/607445526.db2.gz AREGEXZPWUEBGU-UHFFFAOYSA-N -1 3 378.417 3.051 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000740016970 600461729 /nfs/dbraw/zinc/46/17/29/600461729.db2.gz DCKZNLYXJUHOIL-UHFFFAOYSA-N -1 3 396.491 3.237 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cc(-c2ccccc2)on1 ZINC000826254167 607445956 /nfs/dbraw/zinc/44/59/56/607445956.db2.gz YFRWBPWMBCWLCV-UHFFFAOYSA-N -1 3 375.388 3.116 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cc(-c2ccccc2)on1 ZINC000826254167 607445958 /nfs/dbraw/zinc/44/59/58/607445958.db2.gz YFRWBPWMBCWLCV-UHFFFAOYSA-N -1 3 375.388 3.116 20 0 GGADHM O=C(N[C@H]1CCSc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826432066 607447334 /nfs/dbraw/zinc/44/73/34/607447334.db2.gz QWVYXTCVPQSECD-INIZCTEOSA-N -1 3 392.488 3.392 20 0 GGADHM O=C(N[C@H]1CCSc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826432066 607447337 /nfs/dbraw/zinc/44/73/37/607447337.db2.gz QWVYXTCVPQSECD-INIZCTEOSA-N -1 3 392.488 3.392 20 0 GGADHM C[C@@H]1SCCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000572609381 600489797 /nfs/dbraw/zinc/48/97/97/600489797.db2.gz NSNLDCCGXZUMPC-ZAAXVRCTSA-N -1 3 387.501 3.303 20 0 GGADHM Cc1oc(NC(=O)CN2CCCC[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822549205 607448013 /nfs/dbraw/zinc/44/80/13/607448013.db2.gz VVTYQYZWJYQCFQ-KRWDZBQOSA-N -1 3 394.479 3.112 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000820001011 607448628 /nfs/dbraw/zinc/44/86/28/607448628.db2.gz BDSIQBFCJLRAKK-UHFFFAOYSA-N -1 3 397.826 3.193 20 0 GGADHM CC(C)[C@H]1CCCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736395473 600509212 /nfs/dbraw/zinc/50/92/12/600509212.db2.gz MXKDQPFUQMWMTF-OXJNMPFZSA-N -1 3 385.508 3.038 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736660772 600521568 /nfs/dbraw/zinc/52/15/68/600521568.db2.gz BTYGPELQMVLKLI-CHWSQXEVSA-N -1 3 392.402 3.342 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000737470140 600534578 /nfs/dbraw/zinc/53/45/78/600534578.db2.gz DVNVZSXLRKCZHJ-FQEVSTJZSA-N -1 3 381.476 3.191 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000739760376 600544478 /nfs/dbraw/zinc/54/44/78/600544478.db2.gz PBOMTRTVHVVDEM-HXUWFJFHSA-N -1 3 381.476 3.490 20 0 GGADHM CC(C)Oc1ccccc1CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824334275 607453400 /nfs/dbraw/zinc/45/34/00/607453400.db2.gz UHXTUCNNZXKCAA-UHFFFAOYSA-N -1 3 392.463 3.142 20 0 GGADHM CC(C)Oc1ccccc1CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824334275 607453403 /nfs/dbraw/zinc/45/34/03/607453403.db2.gz UHXTUCNNZXKCAA-UHFFFAOYSA-N -1 3 392.463 3.142 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826208939 607454002 /nfs/dbraw/zinc/45/40/02/607454002.db2.gz GRBUOUYWZXVVIQ-GFCCVEGCSA-N -1 3 396.426 3.064 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826208939 607454004 /nfs/dbraw/zinc/45/40/04/607454004.db2.gz GRBUOUYWZXVVIQ-GFCCVEGCSA-N -1 3 396.426 3.064 20 0 GGADHM Cc1ccc(CCNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826287671 607454031 /nfs/dbraw/zinc/45/40/31/607454031.db2.gz YBIUVNDRWAJICY-UHFFFAOYSA-N -1 3 376.464 3.015 20 0 GGADHM Cc1ccc(CCNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826287671 607454033 /nfs/dbraw/zinc/45/40/33/607454033.db2.gz YBIUVNDRWAJICY-UHFFFAOYSA-N -1 3 376.464 3.015 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@H](C)C[C@H]2c2ccco2)c(-c2nnn[n-]2)c1C ZINC000822549228 607454707 /nfs/dbraw/zinc/45/47/07/607454707.db2.gz WJDBDZBFHJXFJP-FZMZJTMJSA-N -1 3 384.440 3.081 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@H](C)C[C@H]2c2ccco2)c(-c2nn[n-]n2)c1C ZINC000822549228 607454708 /nfs/dbraw/zinc/45/47/08/607454708.db2.gz WJDBDZBFHJXFJP-FZMZJTMJSA-N -1 3 384.440 3.081 20 0 GGADHM CCC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccn1 ZINC000825242584 607454969 /nfs/dbraw/zinc/45/49/69/607454969.db2.gz VQNHILRBIJUQFG-QGZVFWFLSA-N -1 3 377.452 3.091 20 0 GGADHM CCC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccn1 ZINC000825242584 607454970 /nfs/dbraw/zinc/45/49/70/607454970.db2.gz VQNHILRBIJUQFG-QGZVFWFLSA-N -1 3 377.452 3.091 20 0 GGADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1nc(C)cs1 ZINC000825134076 607455179 /nfs/dbraw/zinc/45/51/79/607455179.db2.gz RNFQNEGKXWQHIS-CQSZACIVSA-N -1 3 383.481 3.071 20 0 GGADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1nc(C)cs1 ZINC000825134076 607455181 /nfs/dbraw/zinc/45/51/81/607455181.db2.gz RNFQNEGKXWQHIS-CQSZACIVSA-N -1 3 383.481 3.071 20 0 GGADHM CC[C@@H](C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)N(CC)CC ZINC000736846877 600586491 /nfs/dbraw/zinc/58/64/91/600586491.db2.gz IVYYXNWKGYLZSA-INIZCTEOSA-N -1 3 375.494 3.491 20 0 GGADHM CC[C@H](C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)N(CC)CC ZINC000736846878 600586583 /nfs/dbraw/zinc/58/65/83/600586583.db2.gz IVYYXNWKGYLZSA-MRXNPFEDSA-N -1 3 375.494 3.491 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825669232 607458464 /nfs/dbraw/zinc/45/84/64/607458464.db2.gz SKCNZAKZYGIAKR-HZPDHXFCSA-N -1 3 386.525 3.219 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825669232 607458466 /nfs/dbraw/zinc/45/84/66/607458466.db2.gz SKCNZAKZYGIAKR-HZPDHXFCSA-N -1 3 386.525 3.219 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C2CCC(C)CC2)CC1 ZINC000738518679 600631774 /nfs/dbraw/zinc/63/17/74/600631774.db2.gz MUIDHJXBBDODIY-RMXPPQQLSA-N -1 3 387.524 3.217 20 0 GGADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H](C)c1ccccc1 ZINC000824499410 607458599 /nfs/dbraw/zinc/45/85/99/607458599.db2.gz OXRRRBFOEBQYSZ-CABCVRRESA-N -1 3 376.464 3.347 20 0 GGADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H](C)c1ccccc1 ZINC000824499410 607458600 /nfs/dbraw/zinc/45/86/00/607458600.db2.gz OXRRRBFOEBQYSZ-CABCVRRESA-N -1 3 376.464 3.347 20 0 GGADHM CCO[C@H](CCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CCCC1 ZINC000825577112 607458838 /nfs/dbraw/zinc/45/88/38/607458838.db2.gz SXOCIZXZAASVBM-GOSISDBHSA-N -1 3 398.511 3.140 20 0 GGADHM CCO[C@H](CCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CCCC1 ZINC000825577112 607458840 /nfs/dbraw/zinc/45/88/40/607458840.db2.gz SXOCIZXZAASVBM-GOSISDBHSA-N -1 3 398.511 3.140 20 0 GGADHM Cc1ccccc1NC(=O)CCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000832978899 600689958 /nfs/dbraw/zinc/68/99/58/600689958.db2.gz RNMLPWWNUCVJKG-QGZVFWFLSA-N -1 3 381.476 3.233 20 0 GGADHM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(-n2cccn2)cc1 ZINC000827727710 600693781 /nfs/dbraw/zinc/69/37/81/600693781.db2.gz LXQGIVNWXDHWFC-GUYCJALGSA-N -1 3 396.472 3.088 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000829780687 600707676 /nfs/dbraw/zinc/70/76/76/600707676.db2.gz KJFJJIZDBGPHTJ-OAQYLSRUSA-N -1 3 395.503 3.164 20 0 GGADHM C[C@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccc(C(=O)[O-])o1 ZINC000827825415 600710059 /nfs/dbraw/zinc/71/00/59/600710059.db2.gz FGXWZQUECZLYOW-GXFFZTMASA-N -1 3 377.780 3.289 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCc1nc(-c2ccccc2)no1 ZINC000736822401 600713002 /nfs/dbraw/zinc/71/30/02/600713002.db2.gz HWGKKEGZZMZAGD-MRXNPFEDSA-N -1 3 392.459 3.188 20 0 GGADHM CCN(CC1CCN(c2ccccn2)CC1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829692965 600717998 /nfs/dbraw/zinc/71/79/98/600717998.db2.gz RUCGTWANEIWIPZ-UHFFFAOYSA-N -1 3 391.903 3.134 20 0 GGADHM CCN1CC[C@@H](N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[C@H]1C ZINC000737111751 600725216 /nfs/dbraw/zinc/72/52/16/600725216.db2.gz DHBIUYSHRJHCJE-CHWSQXEVSA-N -1 3 396.534 3.093 20 0 GGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000738929048 600728866 /nfs/dbraw/zinc/72/88/66/600728866.db2.gz WLNUCWXSCCTFPV-KRWDZBQOSA-N -1 3 376.888 3.434 20 0 GGADHM Cc1ccc(N2CCC[C@@H](N[C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)nn1 ZINC000832937711 600749051 /nfs/dbraw/zinc/74/90/51/600749051.db2.gz BECLCQFNVPMZGK-CXAGYDPISA-N -1 3 395.290 3.476 20 0 GGADHM Cc1ccc(N2CCC[C@H](N[C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)nn1 ZINC000832937721 600749135 /nfs/dbraw/zinc/74/91/35/600749135.db2.gz BECLCQFNVPMZGK-SUMWQHHRSA-N -1 3 395.290 3.476 20 0 GGADHM O=C([O-])[C@@H](NCCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F ZINC000833166509 600750503 /nfs/dbraw/zinc/75/05/03/600750503.db2.gz QFEHLEAWRHTMDH-INIZCTEOSA-N -1 3 375.787 3.487 20 0 GGADHM O=C([O-])c1occc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000740282150 600796231 /nfs/dbraw/zinc/79/62/31/600796231.db2.gz SLKMOPNYXQNDEU-UHFFFAOYSA-N -1 3 382.460 3.381 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000823673742 607468986 /nfs/dbraw/zinc/46/89/86/607468986.db2.gz NBIGKJZXKHZMFS-KRWDZBQOSA-N -1 3 379.395 3.339 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000823673742 607468987 /nfs/dbraw/zinc/46/89/87/607468987.db2.gz NBIGKJZXKHZMFS-KRWDZBQOSA-N -1 3 379.395 3.339 20 0 GGADHM Cc1cccc(NC2CCN(C[C@H](O)COc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738735643 600796865 /nfs/dbraw/zinc/79/68/65/600796865.db2.gz FFJFAVVFPWPTNI-FQEVSTJZSA-N -1 3 384.476 3.009 20 0 GGADHM O=C([O-])c1ccc(OCCN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000833321586 600820033 /nfs/dbraw/zinc/82/00/33/600820033.db2.gz IVRLZJOQSWRQGJ-IAGOWNOFSA-N -1 3 386.879 3.485 20 0 GGADHM CCCCNC(=O)[C@H]1CC[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829394842 600820754 /nfs/dbraw/zinc/82/07/54/600820754.db2.gz AFUCXJSJDONDBH-HOCLYGCPSA-N -1 3 396.915 3.434 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCc2sc(Br)cc2C1 ZINC000826373789 607474056 /nfs/dbraw/zinc/47/40/56/607474056.db2.gz ZLUWNEPQPVUIOS-UHFFFAOYSA-N -1 3 394.273 3.388 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCc2sc(Br)cc2C1 ZINC000826373789 607474057 /nfs/dbraw/zinc/47/40/57/607474057.db2.gz ZLUWNEPQPVUIOS-UHFFFAOYSA-N -1 3 394.273 3.388 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000828213595 600895139 /nfs/dbraw/zinc/89/51/39/600895139.db2.gz ASWOHDFGARQLNN-JMSVASOKSA-N -1 3 388.386 3.090 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000828213596 600895157 /nfs/dbraw/zinc/89/51/57/600895157.db2.gz ASWOHDFGARQLNN-LALPHHSUSA-N -1 3 388.386 3.090 20 0 GGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000736230259 600933530 /nfs/dbraw/zinc/93/35/30/600933530.db2.gz JNAIOOPKHYNTDD-KRWDZBQOSA-N -1 3 381.476 3.295 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2)CC1 ZINC000829780477 600959817 /nfs/dbraw/zinc/95/98/17/600959817.db2.gz ICSMNRLFPPZHII-UHFFFAOYSA-N -1 3 387.867 3.432 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000736713972 600969703 /nfs/dbraw/zinc/96/97/03/600969703.db2.gz FKKZQHFDXCAHQP-NWDGAFQWSA-N -1 3 387.354 3.429 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000736713968 600969970 /nfs/dbraw/zinc/96/99/70/600969970.db2.gz FKKZQHFDXCAHQP-NEPJUHHUSA-N -1 3 387.354 3.429 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000736713979 600970171 /nfs/dbraw/zinc/97/01/71/600970171.db2.gz FKKZQHFDXCAHQP-VXGBXAGGSA-N -1 3 387.354 3.429 20 0 GGADHM Cc1cccc([C@@H]2CCCN2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1C ZINC000738698519 600979163 /nfs/dbraw/zinc/97/91/63/600979163.db2.gz MRURPUTUISTEQD-FCHUYYIVSA-N -1 3 392.499 3.478 20 0 GGADHM O=C([O-])C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc(Cl)c1 ZINC000833199689 600980465 /nfs/dbraw/zinc/98/04/65/600980465.db2.gz UWUPNKJGSSTCSB-QGZVFWFLSA-N -1 3 394.899 3.007 20 0 GGADHM O=C([O-])C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc(Cl)c1 ZINC000833199687 600980572 /nfs/dbraw/zinc/98/05/72/600980572.db2.gz UWUPNKJGSSTCSB-KRWDZBQOSA-N -1 3 394.899 3.007 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000833157511 600987889 /nfs/dbraw/zinc/98/78/89/600987889.db2.gz QQEZMFXPRFTWLO-GOSISDBHSA-N -1 3 389.402 3.377 20 0 GGADHM COc1ccc([C@H](NCc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000832252309 601005380 /nfs/dbraw/zinc/00/53/80/601005380.db2.gz LLFVHZMXCSDSOO-HNNXBMFYSA-N -1 3 397.212 3.215 20 0 GGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(n2cc(Br)cn2)CC1 ZINC000833171578 601006703 /nfs/dbraw/zinc/00/67/03/601006703.db2.gz CRVQZDMVHDTDMZ-HNNXBMFYSA-N -1 3 382.233 3.248 20 0 GGADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCN(CC2CCOCC2)CC1 ZINC000833170114 601014169 /nfs/dbraw/zinc/01/41/69/601014169.db2.gz FJXXGJJQHWCCPX-KRWDZBQOSA-N -1 3 387.307 3.163 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642346 601021841 /nfs/dbraw/zinc/02/18/41/601021841.db2.gz JRMBGAOOIMINLM-VXGBXAGGSA-N -1 3 376.375 3.162 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642343 601021850 /nfs/dbraw/zinc/02/18/50/601021850.db2.gz JRMBGAOOIMINLM-NEPJUHHUSA-N -1 3 376.375 3.162 20 0 GGADHM CC(C)C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(=O)[O-] ZINC000424473261 601033432 /nfs/dbraw/zinc/03/34/32/601033432.db2.gz QHYLZXMRLBMRIQ-KRWDZBQOSA-N -1 3 393.553 3.146 20 0 GGADHM O=C([O-])c1cnc(N(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)C2CC2)s1 ZINC000740254699 601042060 /nfs/dbraw/zinc/04/20/60/601042060.db2.gz QACHPGNXCALUPP-HNNXBMFYSA-N -1 3 385.489 3.249 20 0 GGADHM O=C([O-])CCN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CCOCC1 ZINC000582359657 601048581 /nfs/dbraw/zinc/04/85/81/601048581.db2.gz AYGYLMNTRZFNOM-UHFFFAOYSA-N -1 3 398.459 3.373 20 0 GGADHM COc1ccc([C@@H](N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C2CC2)cc1 ZINC000832245715 601053245 /nfs/dbraw/zinc/05/32/45/601053245.db2.gz OOIWLFQKGXIZKO-IRXDYDNUSA-N -1 3 386.473 3.301 20 0 GGADHM COc1ccc([C@@H](N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C2CC2)cc1 ZINC000832245720 601053339 /nfs/dbraw/zinc/05/33/39/601053339.db2.gz OOIWLFQKGXIZKO-SJORKVTESA-N -1 3 386.473 3.301 20 0 GGADHM C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000736207263 601077367 /nfs/dbraw/zinc/07/73/67/601077367.db2.gz HLAGLMIUDYFPRW-GCJKJVERSA-N -1 3 394.515 3.314 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000830582141 601095210 /nfs/dbraw/zinc/09/52/10/601095210.db2.gz YACLMOMDFXZIGO-LJQANCHMSA-N -1 3 383.492 3.343 20 0 GGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148648 601118930 /nfs/dbraw/zinc/11/89/30/601118930.db2.gz BYVBTKUKJXKDSZ-QFBILLFUSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148649 601119035 /nfs/dbraw/zinc/11/90/35/601119035.db2.gz BYVBTKUKJXKDSZ-VQIMIIECSA-N -1 3 381.476 3.346 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828295616 601148431 /nfs/dbraw/zinc/14/84/31/601148431.db2.gz LEKCDJXHGGLWHX-SFHVURJKSA-N -1 3 375.513 3.328 20 0 GGADHM CN(CCC(=O)NCC(=O)[O-])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830727081 601184124 /nfs/dbraw/zinc/18/41/24/601184124.db2.gz JOAUWYNGTXUIEK-LJQANCHMSA-N -1 3 378.831 3.091 20 0 GGADHM CN(CC(=O)[O-])C(=O)CCN(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830693014 601184128 /nfs/dbraw/zinc/18/41/28/601184128.db2.gz XIFSLRNQAXRVCJ-FQEVSTJZSA-N -1 3 392.858 3.433 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2)CC1 ZINC000663119540 601185020 /nfs/dbraw/zinc/18/50/20/601185020.db2.gz LUKRLXQCTROGNJ-UHFFFAOYSA-N -1 3 387.524 3.124 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000826055219 601201843 /nfs/dbraw/zinc/20/18/43/601201843.db2.gz WZNGGIDNHFTNML-PXAZEXFGSA-N -1 3 391.265 3.439 20 0 GGADHM Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000832970538 601202206 /nfs/dbraw/zinc/20/22/06/601202206.db2.gz HJTYYQYITPFFQR-KXBFYZLASA-N -1 3 383.448 3.003 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000826051491 601203580 /nfs/dbraw/zinc/20/35/80/601203580.db2.gz CLAWLLUJIWZDFQ-XOBRGWDASA-N -1 3 397.500 3.007 20 0 GGADHM COc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1Cl ZINC000832394286 601206263 /nfs/dbraw/zinc/20/62/63/601206263.db2.gz QTHCRJYQLAZKDO-KZULUSFZSA-N -1 3 376.840 3.339 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000832946151 601206698 /nfs/dbraw/zinc/20/66/98/601206698.db2.gz LFAMBSOYTSNWOR-KXBFYZLASA-N -1 3 383.448 3.003 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821699107 607496832 /nfs/dbraw/zinc/49/68/32/607496832.db2.gz BXUUGJVSMVSAHF-ZDUSSCGKSA-N -1 3 384.461 3.350 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821699107 607496836 /nfs/dbraw/zinc/49/68/36/607496836.db2.gz BXUUGJVSMVSAHF-ZDUSSCGKSA-N -1 3 384.461 3.350 20 0 GGADHM CC(C)OCCN1CCC(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000827027459 601311583 /nfs/dbraw/zinc/31/15/83/601311583.db2.gz JOUKPYJMMLZKOO-UHFFFAOYSA-N -1 3 383.876 3.049 20 0 GGADHM Cn1cc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833045399 601324080 /nfs/dbraw/zinc/32/40/80/601324080.db2.gz LJRIWEKXZUVFRT-GOSISDBHSA-N -1 3 395.381 3.116 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)N(C)C)cc1 ZINC000830238711 601343566 /nfs/dbraw/zinc/34/35/66/601343566.db2.gz TWQAEVCDVGCAOO-NRFANRHFSA-N -1 3 393.487 3.321 20 0 GGADHM N=C(COc1cccc(C(=O)[O-])c1)NOCc1cc(-c2ccc(F)cc2)no1 ZINC000833089784 601352782 /nfs/dbraw/zinc/35/27/82/601352782.db2.gz YAOMYVKKLMKWJG-UHFFFAOYSA-N -1 3 385.351 3.256 20 0 GGADHM CCOc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)ccc1OCC(=O)[O-] ZINC000830027124 601368905 /nfs/dbraw/zinc/36/89/05/601368905.db2.gz MZUIMKFCSKVFKE-UHFFFAOYSA-N -1 3 397.431 3.327 20 0 GGADHM C[C@@H]1COCCCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000820814174 607504011 /nfs/dbraw/zinc/50/40/11/607504011.db2.gz SFGVBDAGOZDAFN-CQSZACIVSA-N -1 3 395.488 3.269 20 0 GGADHM C[C@@H]1COCCCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000820814174 607504013 /nfs/dbraw/zinc/50/40/13/607504013.db2.gz SFGVBDAGOZDAFN-CQSZACIVSA-N -1 3 395.488 3.269 20 0 GGADHM O=C([O-])[C@@H](N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000833167449 601370760 /nfs/dbraw/zinc/37/07/60/601370760.db2.gz NCFFSLZYIHIXIF-YOEHRIQHSA-N -1 3 378.350 3.226 20 0 GGADHM O=C([O-])[C@H](N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000833167447 601370833 /nfs/dbraw/zinc/37/08/33/601370833.db2.gz NCFFSLZYIHIXIF-RHSMWYFYSA-N -1 3 378.350 3.226 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1noc(C2CCCCC2)n1 ZINC000822935826 607504220 /nfs/dbraw/zinc/50/42/20/607504220.db2.gz ONSYUNBVODENCY-ZHACJKMWSA-N -1 3 380.408 3.054 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1noc(C2CCCCC2)n1 ZINC000822935826 607504222 /nfs/dbraw/zinc/50/42/22/607504222.db2.gz ONSYUNBVODENCY-ZHACJKMWSA-N -1 3 380.408 3.054 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000830362803 601414258 /nfs/dbraw/zinc/41/42/58/601414258.db2.gz ILNZRRKXXCCJIT-UHFFFAOYSA-N -1 3 382.460 3.342 20 0 GGADHM Cc1ccc2cc(C(=O)OCCCOc3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000822280667 607506821 /nfs/dbraw/zinc/50/68/21/607506821.db2.gz VPKGLRXHPMMFAN-UHFFFAOYSA-N -1 3 389.415 3.349 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000832915153 601423312 /nfs/dbraw/zinc/42/33/12/601423312.db2.gz HOAXOXMAOARFGM-XLIONFOSSA-N -1 3 395.503 3.227 20 0 GGADHM CC(=O)C(C)(C)CCC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819782993 607507114 /nfs/dbraw/zinc/50/71/14/607507114.db2.gz SFKVKFVEDAIHOS-UHFFFAOYSA-N -1 3 398.492 3.248 20 0 GGADHM CC(=O)C(C)(C)CCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819782993 607507115 /nfs/dbraw/zinc/50/71/15/607507115.db2.gz SFKVKFVEDAIHOS-UHFFFAOYSA-N -1 3 398.492 3.248 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000831573767 601487803 /nfs/dbraw/zinc/48/78/03/601487803.db2.gz VXZHBURFFSLNSC-AVRDEDQJSA-N -1 3 390.524 3.117 20 0 GGADHM C[C@@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828433462 601529876 /nfs/dbraw/zinc/52/98/76/601529876.db2.gz VGMSVELWRHAXJF-JJXUHFIVSA-N -1 3 384.451 3.026 20 0 GGADHM Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832863987 601532987 /nfs/dbraw/zinc/53/29/87/601532987.db2.gz ZJJDJWAMCAENDM-HXUWFJFHSA-N -1 3 396.487 3.334 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000833195347 601543267 /nfs/dbraw/zinc/54/32/67/601543267.db2.gz BHOWBRUHNFTCQK-QFIPXVFZSA-N -1 3 375.424 3.466 20 0 GGADHM O=C([O-])[C@H](c1ccccc1)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000833130865 601546573 /nfs/dbraw/zinc/54/65/73/601546573.db2.gz ZYHFZNZJIAIPEJ-PXNSSMCTSA-N -1 3 378.428 3.453 20 0 GGADHM Cc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832863085 601563893 /nfs/dbraw/zinc/56/38/93/601563893.db2.gz JSCORIVBVAGWPJ-HXUWFJFHSA-N -1 3 396.487 3.161 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2)CC1 ZINC000829781012 601608186 /nfs/dbraw/zinc/60/81/86/601608186.db2.gz OFLQEEWLPQATMX-UWJYYQICSA-N -1 3 395.503 3.020 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000833032862 601619967 /nfs/dbraw/zinc/61/99/67/601619967.db2.gz OXNHPYHNKUQWHG-UHFFFAOYSA-N -1 3 390.480 3.422 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1F ZINC000833315551 601623768 /nfs/dbraw/zinc/62/37/68/601623768.db2.gz ZVYQEYJIZZVMOH-UHFFFAOYSA-N -1 3 390.480 3.156 20 0 GGADHM C[C@H](CN1CCOCC1)N(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827460744 601628730 /nfs/dbraw/zinc/62/87/30/601628730.db2.gz AMNZCPDTDUZEMT-QGZVFWFLSA-N -1 3 386.467 3.247 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000830811183 601631805 /nfs/dbraw/zinc/63/18/05/601631805.db2.gz RCVYDRRAAPGJRI-KRWDZBQOSA-N -1 3 378.469 3.091 20 0 GGADHM Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000832932081 601649637 /nfs/dbraw/zinc/64/96/37/601649637.db2.gz AEIWPCNQAGQGJU-UHFFFAOYSA-N -1 3 384.451 3.361 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000826055036 601650025 /nfs/dbraw/zinc/65/00/25/601650025.db2.gz UVPJGBZGESZVQQ-LRDDRELGSA-N -1 3 383.416 3.235 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 ZINC000826051077 601653231 /nfs/dbraw/zinc/65/32/31/601653231.db2.gz AKGLCQPROIGTDM-SJCJKPOMSA-N -1 3 385.445 3.393 20 0 GGADHM COc1ccccc1[C@H](C)N(C)C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832589808 601653587 /nfs/dbraw/zinc/65/35/87/601653587.db2.gz UCFFKCPRRFJNNI-VWKPWSFCSA-N -1 3 384.476 3.266 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000826044309 601656115 /nfs/dbraw/zinc/65/61/15/601656115.db2.gz FBMCDGIEDQUIJM-SJCJKPOMSA-N -1 3 380.897 3.412 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000826044308 601656126 /nfs/dbraw/zinc/65/61/26/601656126.db2.gz FBMCDGIEDQUIJM-PXAZEXFGSA-N -1 3 380.897 3.412 20 0 GGADHM Clc1cccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccn2)c1 ZINC000826353254 607524534 /nfs/dbraw/zinc/52/45/34/607524534.db2.gz HWTVIUVPZHCFET-SFHVURJKSA-N -1 3 377.839 3.189 20 0 GGADHM Clc1cccc([C@H](NCc2ccnc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826353254 607524536 /nfs/dbraw/zinc/52/45/36/607524536.db2.gz HWTVIUVPZHCFET-SFHVURJKSA-N -1 3 377.839 3.189 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000830609147 601723053 /nfs/dbraw/zinc/72/30/53/601723053.db2.gz VVJGLTVAECBOHM-UHFFFAOYSA-N -1 3 390.509 3.454 20 0 GGADHM C[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827593023 601727510 /nfs/dbraw/zinc/72/75/10/601727510.db2.gz YVAYCXHXCBZLIN-MBSDFSHPSA-N -1 3 380.488 3.101 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827592909 601727659 /nfs/dbraw/zinc/72/76/59/601727659.db2.gz WKAQVQZRCQIJFJ-GAJHUEQPSA-N -1 3 398.478 3.240 20 0 GGADHM C[C@H](Cc1ccccc1F)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827592912 601727712 /nfs/dbraw/zinc/72/77/12/601727712.db2.gz WKAQVQZRCQIJFJ-UZUQRXQVSA-N -1 3 398.478 3.240 20 0 GGADHM O=C([O-])[C@]1(NC(=O)CCCc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000833098526 601728256 /nfs/dbraw/zinc/72/82/56/601728256.db2.gz VHHXXRFZKHZANR-QHCPKHFHSA-N -1 3 380.488 3.245 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc(C(F)F)c2)CCCN(Cc2ccccc2)C1 ZINC000833128431 601729946 /nfs/dbraw/zinc/72/99/46/601729946.db2.gz GAAPYNDPCUAYGR-OAQYLSRUSA-N -1 3 388.414 3.473 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc(F)c2Cl)CCCN(Cc2ccccc2)C1 ZINC000833128879 601730053 /nfs/dbraw/zinc/73/00/53/601730053.db2.gz OYNMLXHNVIOOSM-HXUWFJFHSA-N -1 3 390.842 3.328 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc(C(F)F)c2)CCCN(Cc2ccccc2)C1 ZINC000833128429 601730102 /nfs/dbraw/zinc/73/01/02/601730102.db2.gz GAAPYNDPCUAYGR-NRFANRHFSA-N -1 3 388.414 3.473 20 0 GGADHM CSCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832770748 601731210 /nfs/dbraw/zinc/73/12/10/601731210.db2.gz DQTONWDFUPAERU-JOCHJYFZSA-N -1 3 398.528 3.399 20 0 GGADHM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC000825995043 601732632 /nfs/dbraw/zinc/73/26/32/601732632.db2.gz LMCIQACDUULRDX-OPAMFIHVSA-N -1 3 384.451 3.165 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Cc2cc3ccccc3o2)CCCN(Cc2ccccc2)C1 ZINC000833116874 601733232 /nfs/dbraw/zinc/73/32/32/601733232.db2.gz IXJFMILDUXOQAK-QHCPKHFHSA-N -1 3 392.455 3.211 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc(Cl)cc2F)CCCN(Cc2ccccc2)C1 ZINC000833128269 601733768 /nfs/dbraw/zinc/73/37/68/601733768.db2.gz BRYTVOAVHZXEGN-FQEVSTJZSA-N -1 3 390.842 3.328 20 0 GGADHM CCSc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cn1 ZINC000830169741 601734226 /nfs/dbraw/zinc/73/42/26/601734226.db2.gz WUUJQJUJKJEDFS-OAQYLSRUSA-N -1 3 399.516 3.043 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc3cccnc32)CCCN(Cc2ccccc2)C1 ZINC000833128465 601734762 /nfs/dbraw/zinc/73/47/62/601734762.db2.gz GYFHSGUYGQXFOV-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C(C[C@@H]1CCc2ccccc21)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833097341 601735012 /nfs/dbraw/zinc/73/50/12/601735012.db2.gz LNNSHXOCLZLZPN-RDPSFJRHSA-N -1 3 392.499 3.342 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2nccc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC000833129239 601735190 /nfs/dbraw/zinc/73/51/90/601735190.db2.gz XMCKIFBLBSGGFE-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc(C(F)F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833129126 601735368 /nfs/dbraw/zinc/73/53/68/601735368.db2.gz USZYBGJCKICBSI-NRFANRHFSA-N -1 3 388.414 3.473 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2nccc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC000833129240 601735504 /nfs/dbraw/zinc/73/55/04/601735504.db2.gz XMCKIFBLBSGGFE-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Cc2ccccc2Cl)CCCN(Cc2ccccc2)C1 ZINC000833119117 601736108 /nfs/dbraw/zinc/73/61/08/601736108.db2.gz YZQMICXETDSJOU-NRFANRHFSA-N -1 3 386.879 3.118 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)C/C=C\c2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833096034 601740907 /nfs/dbraw/zinc/74/09/07/601740907.db2.gz GGDYSQASYNKKND-IZPOICSHSA-N -1 3 396.462 3.465 20 0 GGADHM O=C([O-])[C@]1(NC(=O)C/C=C\c2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833096033 601740990 /nfs/dbraw/zinc/74/09/90/601740990.db2.gz GGDYSQASYNKKND-HEBQJAJPSA-N -1 3 396.462 3.465 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cncc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC000833128416 601741296 /nfs/dbraw/zinc/74/12/96/601741296.db2.gz FEUCHHGYAHOPCZ-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000826183726 607526752 /nfs/dbraw/zinc/52/67/52/607526752.db2.gz YTDCWOIAGUJVPF-SFHVURJKSA-N -1 3 385.855 3.102 20 0 GGADHM O=C([O-])c1sccc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833348437 601808031 /nfs/dbraw/zinc/80/80/31/601808031.db2.gz KPJWHATYZSZWLO-LBPRGKRZSA-N -1 3 379.869 3.345 20 0 GGADHM CN(Cc1ccsc1C(=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000830865702 601826399 /nfs/dbraw/zinc/82/63/99/601826399.db2.gz UHNQXAWHMJOIBG-ZDUSSCGKSA-N -1 3 389.395 3.337 20 0 GGADHM CC(C)C1CCC(N2CCN(CC(=O)Nc3ccccc3C(=O)[O-])CC2)CC1 ZINC000826728022 601843695 /nfs/dbraw/zinc/84/36/95/601843695.db2.gz WQVKABZRYZAXQE-UHFFFAOYSA-N -1 3 387.524 3.156 20 0 GGADHM O=C([O-])c1cccc(CNC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000821551295 601845728 /nfs/dbraw/zinc/84/57/28/601845728.db2.gz BLAQNSGXXJLTPZ-UHFFFAOYSA-N -1 3 383.517 3.014 20 0 GGADHM COc1cccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N2CCCC2)c1 ZINC000666513034 601848479 /nfs/dbraw/zinc/84/84/79/601848479.db2.gz BSGUBDRIWNXNLD-FQEVSTJZSA-N -1 3 397.475 3.030 20 0 GGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCCN3C[C@H](C)O[C@@H](C)C3)c12 ZINC000583027392 601857751 /nfs/dbraw/zinc/85/77/51/601857751.db2.gz MQFONHBTDUPMKX-RYUDHWBXSA-N -1 3 392.525 3.308 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3OCCc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000824967875 607530783 /nfs/dbraw/zinc/53/07/83/607530783.db2.gz NURBMQMFFIHFDI-GTNSWQLSSA-N -1 3 395.488 3.306 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3OCCc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000824967875 607530785 /nfs/dbraw/zinc/53/07/85/607530785.db2.gz NURBMQMFFIHFDI-GTNSWQLSSA-N -1 3 395.488 3.306 20 0 GGADHM Cc1cc(F)c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000832887290 601871180 /nfs/dbraw/zinc/87/11/80/601871180.db2.gz NITCFEHXMAOAIH-OAQYLSRUSA-N -1 3 388.414 3.122 20 0 GGADHM O=C([O-])c1cccc(N2CC(=O)N(CN3CCC[C@H]3C3CCCCC3)C2=O)c1 ZINC000833330627 601876645 /nfs/dbraw/zinc/87/66/45/601876645.db2.gz XNJHDKRZDKTRKL-SFHVURJKSA-N -1 3 385.464 3.156 20 0 GGADHM COc1ccc(NC(=O)CCN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832393927 601901365 /nfs/dbraw/zinc/90/13/65/601901365.db2.gz KFIFDVUINVVKII-SFHVURJKSA-N -1 3 396.365 3.199 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](O)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832965314 601901878 /nfs/dbraw/zinc/90/18/78/601901878.db2.gz JNIOOVOIIQHWOO-KBXCAEBGSA-N -1 3 397.393 3.218 20 0 GGADHM Cc1ccc(OC[C@H](O)CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000832951258 601901920 /nfs/dbraw/zinc/90/19/20/601901920.db2.gz MGOSFCNSVYSKDE-KUHUBIRLSA-N -1 3 397.393 3.218 20 0 GGADHM COC(=O)c1cccc(OCCN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000831453286 601903211 /nfs/dbraw/zinc/90/32/11/601903211.db2.gz MDXPAKXHLVLUHQ-KRWDZBQOSA-N -1 3 397.349 3.027 20 0 GGADHM CN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713520 601904504 /nfs/dbraw/zinc/90/45/04/601904504.db2.gz HENABHFEIXYADH-GOEBONIOSA-N -1 3 375.293 3.173 20 0 GGADHM Cc1ccc(C)c(OC[C@H](O)CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832926451 601905117 /nfs/dbraw/zinc/90/51/17/601905117.db2.gz QQRIKLKPFBBJGO-AUUYWEPGSA-N -1 3 397.393 3.218 20 0 GGADHM CN(C[C@H](O)c1ccc(F)cc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713919 601906493 /nfs/dbraw/zinc/90/64/93/601906493.db2.gz LDCAYGOVGXVELY-HOCLYGCPSA-N -1 3 375.293 3.173 20 0 GGADHM CN(C[C@H](O)c1ccc(F)cc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713916 601906580 /nfs/dbraw/zinc/90/65/80/601906580.db2.gz LDCAYGOVGXVELY-GOEBONIOSA-N -1 3 375.293 3.173 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826300604 607533557 /nfs/dbraw/zinc/53/35/57/607533557.db2.gz BBHOXWKOAXRUBD-UHFFFAOYSA-N -1 3 379.445 3.153 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826300604 607533558 /nfs/dbraw/zinc/53/35/58/607533558.db2.gz BBHOXWKOAXRUBD-UHFFFAOYSA-N -1 3 379.445 3.153 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)N(C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826207485 607533825 /nfs/dbraw/zinc/53/38/25/607533825.db2.gz PQXYDVCWMANLNR-ZDUSSCGKSA-N -1 3 383.477 3.160 20 0 GGADHM COc1ccc(CS[C@@H](C)C(=O)N(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826207485 607533827 /nfs/dbraw/zinc/53/38/27/607533827.db2.gz PQXYDVCWMANLNR-ZDUSSCGKSA-N -1 3 383.477 3.160 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CN1Cc1ccccc1 ZINC000828177179 601930010 /nfs/dbraw/zinc/93/00/10/601930010.db2.gz OTTGGJSNWHOCOC-TZMCWYRMSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000449084642 601931913 /nfs/dbraw/zinc/93/19/13/601931913.db2.gz YMANKDQWTDBDSV-TZIWHRDSSA-N -1 3 386.879 3.342 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000449084640 601931944 /nfs/dbraw/zinc/93/19/44/601931944.db2.gz YMANKDQWTDBDSV-FPOVZHCZSA-N -1 3 386.879 3.342 20 0 GGADHM COc1ccc(CSCc2nc(-c3cccs3)no2)cc1-c1nnn[n-]1 ZINC000826207839 607534534 /nfs/dbraw/zinc/53/45/34/607534534.db2.gz HCFXHXHLHNKFSB-UHFFFAOYSA-N -1 3 386.462 3.420 20 0 GGADHM COc1ccc(CSCc2nc(-c3cccs3)no2)cc1-c1nn[n-]n1 ZINC000826207839 607534536 /nfs/dbraw/zinc/53/45/36/607534536.db2.gz HCFXHXHLHNKFSB-UHFFFAOYSA-N -1 3 386.462 3.420 20 0 GGADHM C[C@]1(C(=O)[O-])CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000263109972 601941992 /nfs/dbraw/zinc/94/19/92/601941992.db2.gz JNGJGUYHXBNRRQ-CTNGQTDRSA-N -1 3 384.501 3.019 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)s1 ZINC000833313938 601943847 /nfs/dbraw/zinc/94/38/47/601943847.db2.gz CAUIMHANGUQAKK-UHFFFAOYSA-N -1 3 379.869 3.345 20 0 GGADHM O=C([O-])[C@H](NCCNC(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000833141353 601973753 /nfs/dbraw/zinc/97/37/53/601973753.db2.gz VHGRPMCSRWOJQG-OAHLLOKOSA-N -1 3 385.222 3.278 20 0 GGADHM O=C([O-])[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)cc(Cl)c1 ZINC000833168099 601973896 /nfs/dbraw/zinc/97/38/96/601973896.db2.gz UDSMSBLYGTYGCT-HNNXBMFYSA-N -1 3 393.226 3.005 20 0 GGADHM O=C([O-])[C@H](NCCn1c(=O)oc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000833166889 601975004 /nfs/dbraw/zinc/97/50/04/601975004.db2.gz WKJDKWSKNAXNIB-OAHLLOKOSA-N -1 3 381.215 3.317 20 0 GGADHM O=C([O-])[C@@H](NCCNC(=O)Cc1cccc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000833117323 601975190 /nfs/dbraw/zinc/97/51/90/601975190.db2.gz JRLNPHZGTQYFGM-KRWDZBQOSA-N -1 3 399.249 3.207 20 0 GGADHM O=C([O-])[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000833167883 601978705 /nfs/dbraw/zinc/97/87/05/601978705.db2.gz RMHAZWSAOVIFMJ-JKSUJKDBSA-N -1 3 385.291 3.500 20 0 GGADHM Cc1ccccc1C1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000826306923 607537261 /nfs/dbraw/zinc/53/72/61/607537261.db2.gz PZWIVJUTVMFKOK-UHFFFAOYSA-N -1 3 397.504 3.052 20 0 GGADHM Cc1ccccc1C1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000826306923 607537263 /nfs/dbraw/zinc/53/72/63/607537263.db2.gz PZWIVJUTVMFKOK-UHFFFAOYSA-N -1 3 397.504 3.052 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826177424 607539208 /nfs/dbraw/zinc/53/92/08/607539208.db2.gz HVEVENMAHDITIZ-GFCCVEGCSA-N -1 3 397.460 3.197 20 0 GGADHM COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826177424 607539210 /nfs/dbraw/zinc/53/92/10/607539210.db2.gz HVEVENMAHDITIZ-GFCCVEGCSA-N -1 3 397.460 3.197 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC000828168101 602023112 /nfs/dbraw/zinc/02/31/12/602023112.db2.gz MHAGKGQSDOVTDT-WMZOPIPTSA-N -1 3 391.471 3.119 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832310560 602029849 /nfs/dbraw/zinc/02/98/49/602029849.db2.gz DPMMUZOSXKOZDT-HZPDHXFCSA-N -1 3 377.485 3.302 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832310561 602029873 /nfs/dbraw/zinc/02/98/73/602029873.db2.gz DPMMUZOSXKOZDT-JKSUJKDBSA-N -1 3 377.485 3.302 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832310558 602029976 /nfs/dbraw/zinc/02/99/76/602029976.db2.gz DPMMUZOSXKOZDT-CVEARBPZSA-N -1 3 377.485 3.302 20 0 GGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000833137501 602035383 /nfs/dbraw/zinc/03/53/83/602035383.db2.gz APIFEUDPSMQNNN-WBMJQRKESA-N -1 3 385.291 3.357 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828178041 602039059 /nfs/dbraw/zinc/03/90/59/602039059.db2.gz ZAUTWLXSKURISR-UZLBHIALSA-N -1 3 381.476 3.488 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176831 602041877 /nfs/dbraw/zinc/04/18/77/602041877.db2.gz LCOFQUCAQNMIKM-HNAYVOBHSA-N -1 3 382.464 3.239 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1)CCC2 ZINC000566360728 602053386 /nfs/dbraw/zinc/05/33/86/602053386.db2.gz AFUUAPRGEMMQSP-WMLDXEAASA-N -1 3 390.505 3.153 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1)CCC2 ZINC000566360727 602053800 /nfs/dbraw/zinc/05/38/00/602053800.db2.gz AFUUAPRGEMMQSP-RHSMWYFYSA-N -1 3 390.505 3.153 20 0 GGADHM COc1ccc(CSc2nc3sc(C)c(C)c3c(N)n2)cc1-c1nnn[n-]1 ZINC000826207917 607544061 /nfs/dbraw/zinc/54/40/61/607544061.db2.gz KKHKLWKTFVQVQF-UHFFFAOYSA-N -1 3 399.505 3.371 20 0 GGADHM COc1ccc(CSc2nc3sc(C)c(C)c3c(N)n2)cc1-c1nn[n-]n1 ZINC000826207917 607544063 /nfs/dbraw/zinc/54/40/63/607544063.db2.gz KKHKLWKTFVQVQF-UHFFFAOYSA-N -1 3 399.505 3.371 20 0 GGADHM COC[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826150987 607550082 /nfs/dbraw/zinc/55/00/82/607550082.db2.gz QOTSKYLVJREDPU-MRXNPFEDSA-N -1 3 395.488 3.173 20 0 GGADHM COC[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826150987 607550085 /nfs/dbraw/zinc/55/00/85/607550085.db2.gz QOTSKYLVJREDPU-MRXNPFEDSA-N -1 3 395.488 3.173 20 0 GGADHM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000828982301 602130924 /nfs/dbraw/zinc/13/09/24/602130924.db2.gz BGBIFHZBFUTLQZ-HBMCJLEFSA-N -1 3 386.467 3.221 20 0 GGADHM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000828982299 602131115 /nfs/dbraw/zinc/13/11/15/602131115.db2.gz BGBIFHZBFUTLQZ-ACRUOGEOSA-N -1 3 386.467 3.221 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2cccc(Br)c2)C(=O)[O-])c1 ZINC000832057303 602170284 /nfs/dbraw/zinc/17/02/84/602170284.db2.gz OBAIHMFUBKXMHD-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccc(Br)cc2)C(=O)[O-])c1 ZINC000832057670 602171728 /nfs/dbraw/zinc/17/17/28/602171728.db2.gz QQEOZLXABZAOKK-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(-n3cccn3)cc2)C(=O)[O-])c1 ZINC000832050340 602176143 /nfs/dbraw/zinc/17/61/43/602176143.db2.gz PHRWKSMSSPIUMK-VBKZILBWSA-N -1 3 381.432 3.366 20 0 GGADHM COC(=O)[C@@H](OC(=O)CC[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116973 607553741 /nfs/dbraw/zinc/55/37/41/607553741.db2.gz GDPOYCGYAIWBTA-LIRRHRJNSA-N -1 3 394.431 3.208 20 0 GGADHM COC(=O)[C@@H](OC(=O)CC[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116973 607553743 /nfs/dbraw/zinc/55/37/43/607553743.db2.gz GDPOYCGYAIWBTA-LIRRHRJNSA-N -1 3 394.431 3.208 20 0 GGADHM COC(=O)[C@@H](OC(=O)CC[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826116911 607553845 /nfs/dbraw/zinc/55/38/45/607553845.db2.gz FJQHPVLDBMKEME-KUHUBIRLSA-N -1 3 394.431 3.208 20 0 GGADHM COC(=O)[C@@H](OC(=O)CC[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826116911 607553847 /nfs/dbraw/zinc/55/38/47/607553847.db2.gz FJQHPVLDBMKEME-KUHUBIRLSA-N -1 3 394.431 3.208 20 0 GGADHM COc1cc(OC)cc(N2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000832088187 602242009 /nfs/dbraw/zinc/24/20/09/602242009.db2.gz KNFZJPIXSMZPDE-UHFFFAOYSA-N -1 3 388.439 3.253 20 0 GGADHM CCC[C@H](O)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000825247404 607555903 /nfs/dbraw/zinc/55/59/03/607555903.db2.gz CVDHCCIXWMDYBJ-IBGZPJMESA-N -1 3 397.454 3.086 20 0 GGADHM CCC[C@H](O)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000825247404 607555904 /nfs/dbraw/zinc/55/59/04/607555904.db2.gz CVDHCCIXWMDYBJ-IBGZPJMESA-N -1 3 397.454 3.086 20 0 GGADHM COC[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000826151245 607559932 /nfs/dbraw/zinc/55/99/32/607559932.db2.gz XJTSZTKBEIVLIB-SFHVURJKSA-N -1 3 394.435 3.206 20 0 GGADHM COC[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000826151245 607559933 /nfs/dbraw/zinc/55/99/33/607559933.db2.gz XJTSZTKBEIVLIB-SFHVURJKSA-N -1 3 394.435 3.206 20 0 GGADHM CN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830500907 602363565 /nfs/dbraw/zinc/36/35/65/602363565.db2.gz YPRWHWUSXLBWJT-AWEZNQCLSA-N -1 3 389.402 3.401 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCc3c2cccc3Cl)cc1-c1nnn[n-]1 ZINC000826198790 607562883 /nfs/dbraw/zinc/56/28/83/607562883.db2.gz IYHPNVVZYIPDTO-INIZCTEOSA-N -1 3 398.854 3.015 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCc3c2cccc3Cl)cc1-c1nn[n-]n1 ZINC000826198790 607562885 /nfs/dbraw/zinc/56/28/85/607562885.db2.gz IYHPNVVZYIPDTO-INIZCTEOSA-N -1 3 398.854 3.015 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000826198802 607562915 /nfs/dbraw/zinc/56/29/15/607562915.db2.gz JCIHRSCMQBVJEB-MRXNPFEDSA-N -1 3 398.854 3.015 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000826198802 607562917 /nfs/dbraw/zinc/56/29/17/607562917.db2.gz JCIHRSCMQBVJEB-MRXNPFEDSA-N -1 3 398.854 3.015 20 0 GGADHM O=C([O-])c1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1F ZINC000833138222 602371897 /nfs/dbraw/zinc/37/18/97/602371897.db2.gz AJALUVAEWLNFGY-UHFFFAOYSA-N -1 3 381.473 3.007 20 0 GGADHM Cc1nccn1CCCN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000826330868 607563380 /nfs/dbraw/zinc/56/33/80/607563380.db2.gz LNSAYSSJLJCFDF-UHFFFAOYSA-N -1 3 382.859 3.100 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830608968 602384350 /nfs/dbraw/zinc/38/43/50/602384350.db2.gz NGXUCLJXGSTQHP-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM O=C(Nc1ccc(SC(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826455596 607563912 /nfs/dbraw/zinc/56/39/12/607563912.db2.gz VQTDXWWOVYAWHK-UHFFFAOYSA-N -1 3 382.783 3.482 20 0 GGADHM O=C(Nc1ccc(SC(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826455596 607563913 /nfs/dbraw/zinc/56/39/13/607563913.db2.gz VQTDXWWOVYAWHK-UHFFFAOYSA-N -1 3 382.783 3.482 20 0 GGADHM CC(C)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC000827129835 602396042 /nfs/dbraw/zinc/39/60/42/602396042.db2.gz WDMMMQJCOLQILI-JOCHJYFZSA-N -1 3 381.476 3.054 20 0 GGADHM CN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830499950 602397610 /nfs/dbraw/zinc/39/76/10/602397610.db2.gz GYGQHFAWOCEESL-FQEVSTJZSA-N -1 3 396.491 3.235 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000825333451 607568194 /nfs/dbraw/zinc/56/81/94/607568194.db2.gz YVKWXZXENSWBTJ-INIZCTEOSA-N -1 3 391.479 3.251 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825782300 607568507 /nfs/dbraw/zinc/56/85/07/607568507.db2.gz BLIANUKGJOLXMO-GOSISDBHSA-N -1 3 393.495 3.216 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825782300 607568509 /nfs/dbraw/zinc/56/85/09/607568509.db2.gz BLIANUKGJOLXMO-GOSISDBHSA-N -1 3 393.495 3.216 20 0 GGADHM O=C([O-])Nc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000738663862 602461957 /nfs/dbraw/zinc/46/19/57/602461957.db2.gz DCXRIWCFOQNGME-UHFFFAOYSA-N -1 3 382.464 3.317 20 0 GGADHM O=C([O-])N1CCC(NCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000738641688 602571061 /nfs/dbraw/zinc/57/10/61/602571061.db2.gz XJUAIQYJCLQSLU-UHFFFAOYSA-N -1 3 379.258 3.071 20 0 GGADHM COc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000826197802 607576307 /nfs/dbraw/zinc/57/63/07/607576307.db2.gz DCUCCPHBCNMUDX-SFHVURJKSA-N -1 3 392.463 3.230 20 0 GGADHM COc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000826197802 607576309 /nfs/dbraw/zinc/57/63/09/607576309.db2.gz DCUCCPHBCNMUDX-SFHVURJKSA-N -1 3 392.463 3.230 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccccc2)CC(C)C)cc1-c1nnn[n-]1 ZINC000826198461 607576553 /nfs/dbraw/zinc/57/65/53/607576553.db2.gz YWHYSRZRNUPNQG-UHFFFAOYSA-N -1 3 394.479 3.243 20 0 GGADHM COc1ccc(CNC(=O)N(Cc2ccccc2)CC(C)C)cc1-c1nn[n-]n1 ZINC000826198461 607576554 /nfs/dbraw/zinc/57/65/54/607576554.db2.gz YWHYSRZRNUPNQG-UHFFFAOYSA-N -1 3 394.479 3.243 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826442951 607576942 /nfs/dbraw/zinc/57/69/42/607576942.db2.gz RSMMKDWTHFASMP-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826442951 607576944 /nfs/dbraw/zinc/57/69/44/607576944.db2.gz RSMMKDWTHFASMP-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM COc1ccc(CNC(=O)CCCCCc2cccs2)cc1-c1nnn[n-]1 ZINC000826196901 607582685 /nfs/dbraw/zinc/58/26/85/607582685.db2.gz RYFJYVJMKZMICS-UHFFFAOYSA-N -1 3 385.493 3.356 20 0 GGADHM COc1ccc(CNC(=O)CCCCCc2cccs2)cc1-c1nn[n-]n1 ZINC000826196901 607582687 /nfs/dbraw/zinc/58/26/87/607582687.db2.gz RYFJYVJMKZMICS-UHFFFAOYSA-N -1 3 385.493 3.356 20 0 GGADHM CC[C@H](CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825082372 607583641 /nfs/dbraw/zinc/58/36/41/607583641.db2.gz SJWFQXSQDWWJPP-MRXNPFEDSA-N -1 3 379.464 3.384 20 0 GGADHM CC[C@H](CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825082372 607583642 /nfs/dbraw/zinc/58/36/42/607583642.db2.gz SJWFQXSQDWWJPP-MRXNPFEDSA-N -1 3 379.464 3.384 20 0 GGADHM COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826196391 607585598 /nfs/dbraw/zinc/58/55/98/607585598.db2.gz ZRYKFDGDNFNEAG-RBUKOAKNSA-N -1 3 399.454 3.448 20 0 GGADHM COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826196391 607585599 /nfs/dbraw/zinc/58/55/99/607585599.db2.gz ZRYKFDGDNFNEAG-RBUKOAKNSA-N -1 3 399.454 3.448 20 0 GGADHM COc1ccc(COC(=O)COc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000826205820 607593974 /nfs/dbraw/zinc/59/39/74/607593974.db2.gz OPGLAWJAOXTBRH-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM COc1ccc(COC(=O)COc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000826205820 607593976 /nfs/dbraw/zinc/59/39/76/607593976.db2.gz OPGLAWJAOXTBRH-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccccc2OC)cc1-c1nnn[n-]1 ZINC000826205325 607605319 /nfs/dbraw/zinc/60/53/19/607605319.db2.gz RVHFTYPXMWTPOX-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM COc1ccc(COC(=O)C[C@@H](C)c2ccccc2OC)cc1-c1nn[n-]n1 ZINC000826205325 607605321 /nfs/dbraw/zinc/60/53/21/607605321.db2.gz RVHFTYPXMWTPOX-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824297112 607606778 /nfs/dbraw/zinc/60/67/78/607606778.db2.gz QLWGOIIZDAVVLP-UHFFFAOYSA-N -1 3 377.857 3.124 20 0 GGADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N(CC1CC1)C1CCCCC1 ZINC000826494807 607607046 /nfs/dbraw/zinc/60/70/46/607607046.db2.gz QFIVBFRUJHMCTL-UHFFFAOYSA-N -1 3 395.916 3.254 20 0 GGADHM CCc1cccc2c(CC(=O)OCc3ccc(OC)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000825722902 607607359 /nfs/dbraw/zinc/60/73/59/607607359.db2.gz NODCFRNQMOMRJR-UHFFFAOYSA-N -1 3 391.431 3.205 20 0 GGADHM CCc1cccc2c(CC(=O)OCc3ccc(OC)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000825722902 607607362 /nfs/dbraw/zinc/60/73/62/607607362.db2.gz NODCFRNQMOMRJR-UHFFFAOYSA-N -1 3 391.431 3.205 20 0 GGADHM COc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000826205296 607608961 /nfs/dbraw/zinc/60/89/61/607608961.db2.gz REETUCWUUYAJKU-QWHCGFSZSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826205296 607608963 /nfs/dbraw/zinc/60/89/63/607608963.db2.gz REETUCWUUYAJKU-QWHCGFSZSA-N -1 3 386.358 3.000 20 0 GGADHM CC[C@H](C)[C@@H](C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825051838 607609613 /nfs/dbraw/zinc/60/96/13/607609613.db2.gz SSUGWTNFELYBLT-IFXJQAMLSA-N -1 3 379.464 3.321 20 0 GGADHM CC[C@H](C)[C@@H](C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825051838 607609615 /nfs/dbraw/zinc/60/96/15/607609615.db2.gz SSUGWTNFELYBLT-IFXJQAMLSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccc(COC(=O)[C@@H](C)c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000826204199 607612170 /nfs/dbraw/zinc/61/21/70/607612170.db2.gz BEONQNSCSGXNEX-VIFPVBQESA-N -1 3 378.841 3.437 20 0 GGADHM COc1ccc(COC(=O)[C@@H](C)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000826204199 607612171 /nfs/dbraw/zinc/61/21/71/607612171.db2.gz BEONQNSCSGXNEX-VIFPVBQESA-N -1 3 378.841 3.437 20 0 GGADHM O=C(O[C@H](c1ccccn1)C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826461953 607620777 /nfs/dbraw/zinc/62/07/77/607620777.db2.gz KVRNFQXSXFQNHC-GFCCVEGCSA-N -1 3 385.252 3.000 20 0 GGADHM O=C(O[C@H](c1ccccn1)C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826461953 607620779 /nfs/dbraw/zinc/62/07/79/607620779.db2.gz KVRNFQXSXFQNHC-GFCCVEGCSA-N -1 3 385.252 3.000 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000825957510 607621628 /nfs/dbraw/zinc/62/16/28/607621628.db2.gz AZGDGPFZFGFIRC-UHFFFAOYSA-N -1 3 398.377 3.275 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000825957510 607621630 /nfs/dbraw/zinc/62/16/30/607621630.db2.gz AZGDGPFZFGFIRC-UHFFFAOYSA-N -1 3 398.377 3.275 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@H]1c1ccccc1 ZINC000824051855 607636219 /nfs/dbraw/zinc/63/62/19/607636219.db2.gz GRNPTKMRRQTFOZ-DOMZBBRYSA-N -1 3 394.504 3.191 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@H]1c1ccccc1 ZINC000824051855 607636220 /nfs/dbraw/zinc/63/62/20/607636220.db2.gz GRNPTKMRRQTFOZ-DOMZBBRYSA-N -1 3 394.504 3.191 20 0 GGADHM CCOc1cccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825654271 607647978 /nfs/dbraw/zinc/64/79/78/607647978.db2.gz UVGABOWLRACCFB-UHFFFAOYSA-N -1 3 380.477 3.241 20 0 GGADHM CCOc1cccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825654271 607647979 /nfs/dbraw/zinc/64/79/79/607647979.db2.gz UVGABOWLRACCFB-UHFFFAOYSA-N -1 3 380.477 3.241 20 0 GGADHM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nnn[n-]3)cc1C)O[C@H](C)C2 ZINC000825615813 607652791 /nfs/dbraw/zinc/65/27/91/607652791.db2.gz LSPCSJDZJPKIPU-GFCCVEGCSA-N -1 3 379.420 3.150 20 0 GGADHM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nn[n-]n3)cc1C)O[C@H](C)C2 ZINC000825615813 607652792 /nfs/dbraw/zinc/65/27/92/607652792.db2.gz LSPCSJDZJPKIPU-GFCCVEGCSA-N -1 3 379.420 3.150 20 0 GGADHM O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421617 607657653 /nfs/dbraw/zinc/65/76/53/607657653.db2.gz QRVHLUCTAXQALM-UHFFFAOYSA-N -1 3 380.408 3.371 20 0 GGADHM O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421617 607657655 /nfs/dbraw/zinc/65/76/55/607657655.db2.gz QRVHLUCTAXQALM-UHFFFAOYSA-N -1 3 380.408 3.371 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1cc(Br)ccc1F ZINC000826248890 607660696 /nfs/dbraw/zinc/66/06/96/607660696.db2.gz ASPNELNHHAWCOW-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1cc(Br)ccc1F ZINC000826248890 607660698 /nfs/dbraw/zinc/66/06/98/607660698.db2.gz ASPNELNHHAWCOW-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826290477 607664621 /nfs/dbraw/zinc/66/46/21/607664621.db2.gz NVNMYDVQOMEQAW-UHFFFAOYSA-N -1 3 378.436 3.330 20 0 GGADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826290477 607664622 /nfs/dbraw/zinc/66/46/22/607664622.db2.gz NVNMYDVQOMEQAW-UHFFFAOYSA-N -1 3 378.436 3.330 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1cc(Br)cs1 ZINC000826243588 607665178 /nfs/dbraw/zinc/66/51/78/607665178.db2.gz NQVFWSZMSKKTNH-UHFFFAOYSA-N -1 3 392.282 3.271 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1cc(Br)cs1 ZINC000826243588 607665180 /nfs/dbraw/zinc/66/51/80/607665180.db2.gz NQVFWSZMSKKTNH-UHFFFAOYSA-N -1 3 392.282 3.271 20 0 GGADHM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825564804 607667969 /nfs/dbraw/zinc/66/79/69/607667969.db2.gz GBVRBUIQFOMULL-UHFFFAOYSA-N -1 3 379.420 3.019 20 0 GGADHM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825564804 607667970 /nfs/dbraw/zinc/66/79/70/607667970.db2.gz GBVRBUIQFOMULL-UHFFFAOYSA-N -1 3 379.420 3.019 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000826250618 607669243 /nfs/dbraw/zinc/66/92/43/607669243.db2.gz JIEOHDHGLAQFCJ-GFCCVEGCSA-N -1 3 397.508 3.116 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000826250618 607669244 /nfs/dbraw/zinc/66/92/44/607669244.db2.gz JIEOHDHGLAQFCJ-GFCCVEGCSA-N -1 3 397.508 3.116 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2cc(Br)ccc21 ZINC000826246200 607671829 /nfs/dbraw/zinc/67/18/29/607671829.db2.gz VSECTALHXWEUAX-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2cc(Br)ccc21 ZINC000826246200 607671831 /nfs/dbraw/zinc/67/18/31/607671831.db2.gz VSECTALHXWEUAX-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000826244920 607673880 /nfs/dbraw/zinc/67/38/80/607673880.db2.gz HRSWIDKKNWSCPB-SFHVURJKSA-N -1 3 387.447 3.039 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000826244920 607673881 /nfs/dbraw/zinc/67/38/81/607673881.db2.gz HRSWIDKKNWSCPB-SFHVURJKSA-N -1 3 387.447 3.039 20 0 GGADHM COc1ccc(CC2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)cc1 ZINC000826191327 607677688 /nfs/dbraw/zinc/67/76/88/607677688.db2.gz DBFDWNKFYJLEMX-UHFFFAOYSA-N -1 3 391.475 3.279 20 0 GGADHM COc1ccc(CC2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)cc1 ZINC000826191327 607677690 /nfs/dbraw/zinc/67/76/90/607677690.db2.gz DBFDWNKFYJLEMX-UHFFFAOYSA-N -1 3 391.475 3.279 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000826246881 607678629 /nfs/dbraw/zinc/67/86/29/607678629.db2.gz ODUYVHPVKKJFGC-ZBFHGGJFSA-N -1 3 387.365 3.480 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000826246881 607678630 /nfs/dbraw/zinc/67/86/30/607678630.db2.gz ODUYVHPVKKJFGC-ZBFHGGJFSA-N -1 3 387.365 3.480 20 0 GGADHM CCOC(=O)CCC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000825506429 607679833 /nfs/dbraw/zinc/67/98/33/607679833.db2.gz JXIGHCUWIUSROX-UHFFFAOYSA-N -1 3 397.401 3.445 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826268351 607681583 /nfs/dbraw/zinc/68/15/83/607681583.db2.gz TZNDXZDGTSYMOF-KBPBESRZSA-N -1 3 382.443 3.115 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826268351 607681584 /nfs/dbraw/zinc/68/15/84/607681584.db2.gz TZNDXZDGTSYMOF-KBPBESRZSA-N -1 3 382.443 3.115 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1cccc(OC)c1 ZINC000829667031 604273954 /nfs/dbraw/zinc/27/39/54/604273954.db2.gz ZNDRGOWVHBXWBQ-QGZVFWFLSA-N -1 3 387.480 3.151 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1SC(=O)N(C)C ZINC000826250428 607683538 /nfs/dbraw/zinc/68/35/38/607683538.db2.gz APDDMLMICNKRDS-UHFFFAOYSA-N -1 3 382.449 3.201 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1SC(=O)N(C)C ZINC000826250428 607683540 /nfs/dbraw/zinc/68/35/40/607683540.db2.gz APDDMLMICNKRDS-UHFFFAOYSA-N -1 3 382.449 3.201 20 0 GGADHM c1cc(-c2nc(-c3ccccc3OCc3ccccc3)no2)[nH]c1-c1nnn[n-]1 ZINC000826522014 607685450 /nfs/dbraw/zinc/68/54/50/607685450.db2.gz HZPBEEKHCGVFEC-UHFFFAOYSA-N -1 3 385.387 3.491 20 0 GGADHM c1cc(-c2nc(-c3ccccc3OCc3ccccc3)no2)[nH]c1-c1nn[n-]n1 ZINC000826522014 607685452 /nfs/dbraw/zinc/68/54/52/607685452.db2.gz HZPBEEKHCGVFEC-UHFFFAOYSA-N -1 3 385.387 3.491 20 0 GGADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000825479199 604330155 /nfs/dbraw/zinc/33/01/55/604330155.db2.gz LDGFHQYEQXGFQY-HOCLYGCPSA-N -1 3 380.510 3.196 20 0 GGADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000825479201 604330232 /nfs/dbraw/zinc/33/02/32/604330232.db2.gz LDGFHQYEQXGFQY-ZBFHGGJFSA-N -1 3 380.510 3.196 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc(C(=O)[O-])o1 ZINC000827234911 604331542 /nfs/dbraw/zinc/33/15/42/604331542.db2.gz JONGYVRQAMHDPL-JTQLQIEISA-N -1 3 381.226 3.247 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCOc1ccccc1C(C)C ZINC000826174032 607686993 /nfs/dbraw/zinc/68/69/93/607686993.db2.gz GLFKNELMGKRNFB-UHFFFAOYSA-N -1 3 382.420 3.373 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCOc1ccccc1C(C)C ZINC000826174032 607686995 /nfs/dbraw/zinc/68/69/95/607686995.db2.gz GLFKNELMGKRNFB-UHFFFAOYSA-N -1 3 382.420 3.373 20 0 GGADHM O=C([O-])Nc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000832839509 604393621 /nfs/dbraw/zinc/39/36/21/604393621.db2.gz YCZKOQSROBRPDZ-UHFFFAOYSA-N -1 3 383.448 3.233 20 0 GGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826316743 607690335 /nfs/dbraw/zinc/69/03/35/607690335.db2.gz XOAUYHOHILSSIB-LSDHHAIUSA-N -1 3 391.460 3.165 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1)C(=O)[O-] ZINC000827914689 604411533 /nfs/dbraw/zinc/41/15/33/604411533.db2.gz CRLXRZQDBHDKFR-HNNXBMFYSA-N -1 3 376.522 3.342 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000826251163 607691165 /nfs/dbraw/zinc/69/11/65/607691165.db2.gz HHIXGWLTHMWCAO-UHFFFAOYSA-N -1 3 393.838 3.326 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000826251163 607691166 /nfs/dbraw/zinc/69/11/66/607691166.db2.gz HHIXGWLTHMWCAO-UHFFFAOYSA-N -1 3 393.838 3.326 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC000584356178 604423540 /nfs/dbraw/zinc/42/35/40/604423540.db2.gz BUUFKHSCAWOBII-UHFFFAOYSA-N -1 3 389.423 3.151 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1ccsc1C(=O)[O-])CC2 ZINC000571887612 604423659 /nfs/dbraw/zinc/42/36/59/604423659.db2.gz DYMLCISIDFJJGA-UHFFFAOYSA-N -1 3 377.462 3.073 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000826250565 607693067 /nfs/dbraw/zinc/69/30/67/607693067.db2.gz HJNPJMXHLMTGIN-MUUNZHRXSA-N -1 3 397.504 3.475 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000826250565 607693069 /nfs/dbraw/zinc/69/30/69/607693069.db2.gz HJNPJMXHLMTGIN-MUUNZHRXSA-N -1 3 397.504 3.475 20 0 GGADHM CN(C)[C@@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000830580120 604455127 /nfs/dbraw/zinc/45/51/27/604455127.db2.gz DUNNLMFCWWKVHN-WOJBJXKFSA-N -1 3 397.519 3.311 20 0 GGADHM CN(C)[C@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000830580114 604455351 /nfs/dbraw/zinc/45/53/51/604455351.db2.gz DUNNLMFCWWKVHN-PMACEKPBSA-N -1 3 397.519 3.311 20 0 GGADHM CC(C)(NCCOc1ccc(C(=O)[O-])cc1Cl)C(=O)NCC1CCCC1 ZINC000833461095 604482890 /nfs/dbraw/zinc/48/28/90/604482890.db2.gz NLKOVKLGWJVKDV-UHFFFAOYSA-N -1 3 382.888 3.092 20 0 GGADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829163349 604525220 /nfs/dbraw/zinc/52/52/20/604525220.db2.gz XFTZXXRSDNCUSD-QRVBRYPASA-N -1 3 387.524 3.497 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550675 604560149 /nfs/dbraw/zinc/56/01/49/604560149.db2.gz YFEGQXKQGWVGFN-UZLBHIALSA-N -1 3 381.476 3.062 20 0 GGADHM CCC(CC)n1nccc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828874271 604561875 /nfs/dbraw/zinc/56/18/75/604561875.db2.gz BVASFBKMPBRZEW-JOCHJYFZSA-N -1 3 398.507 3.093 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1)C(=O)[O-] ZINC000833613705 604581580 /nfs/dbraw/zinc/58/15/80/604581580.db2.gz CFXHNLGKVGGIBL-SJORKVTESA-N -1 3 388.508 3.009 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000833185329 604587361 /nfs/dbraw/zinc/58/73/61/604587361.db2.gz GRDBNHHJAJXRMW-GUDVDZBRSA-N -1 3 396.491 3.160 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833541536 604610673 /nfs/dbraw/zinc/61/06/73/604610673.db2.gz NKSHUQVPNMYNCS-WBVHZDCISA-N -1 3 392.496 3.275 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000833542179 604620600 /nfs/dbraw/zinc/62/06/00/604620600.db2.gz QEMKBARDSCWEJB-MRXNPFEDSA-N -1 3 388.508 3.199 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540842 604622474 /nfs/dbraw/zinc/62/24/74/604622474.db2.gz LKAXNHNQBWSJJM-IEBWSBKVSA-N -1 3 396.487 3.181 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000826247219 607703769 /nfs/dbraw/zinc/70/37/69/607703769.db2.gz WYPIAJFSYJDPPF-OAHLLOKOSA-N -1 3 376.464 3.266 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000826247219 607703771 /nfs/dbraw/zinc/70/37/71/607703771.db2.gz WYPIAJFSYJDPPF-OAHLLOKOSA-N -1 3 376.464 3.266 20 0 GGADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824293411 607704503 /nfs/dbraw/zinc/70/45/03/607704503.db2.gz KVJIBXBHEIRGMD-UHFFFAOYSA-N -1 3 389.257 3.008 20 0 GGADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824293411 607704505 /nfs/dbraw/zinc/70/45/05/607704505.db2.gz KVJIBXBHEIRGMD-UHFFFAOYSA-N -1 3 389.257 3.008 20 0 GGADHM Cc1cc(CNc2ccc(CN3CCN(C)CC3)cc2)cc(C)c1OCC(=O)[O-] ZINC000832885267 604642531 /nfs/dbraw/zinc/64/25/31/604642531.db2.gz LBLUXEDPAKJSKQ-UHFFFAOYSA-N -1 3 397.519 3.126 20 0 GGADHM CCN(C(=O)C[C@H]1CSCCS1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366604 607705389 /nfs/dbraw/zinc/70/53/89/607705389.db2.gz CJWNQLAXFXMGGM-DOMZBBRYSA-N -1 3 377.539 3.015 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833544440 604647115 /nfs/dbraw/zinc/64/71/15/604647115.db2.gz XQKGOXZEANNRSN-VKJFTORMSA-N -1 3 392.496 3.274 20 0 GGADHM CCN(C(=O)C[C@H]1CSCCS1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366604 607705390 /nfs/dbraw/zinc/70/53/90/607705390.db2.gz CJWNQLAXFXMGGM-DOMZBBRYSA-N -1 3 377.539 3.015 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833544438 604647212 /nfs/dbraw/zinc/64/72/12/604647212.db2.gz XQKGOXZEANNRSN-RLFYNMQTSA-N -1 3 392.496 3.274 20 0 GGADHM CCN(C(=O)C[C@@H]1CSCCS1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366605 607705443 /nfs/dbraw/zinc/70/54/43/607705443.db2.gz CJWNQLAXFXMGGM-IUODEOHRSA-N -1 3 377.539 3.015 20 0 GGADHM CCN(C(=O)C[C@@H]1CSCCS1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366605 607705444 /nfs/dbraw/zinc/70/54/44/607705444.db2.gz CJWNQLAXFXMGGM-IUODEOHRSA-N -1 3 377.539 3.015 20 0 GGADHM O=C([O-])[C@@H]1CC12CCN(CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000833771422 604650312 /nfs/dbraw/zinc/65/03/12/604650312.db2.gz FDLKTELWVDHNHX-HNNXBMFYSA-N -1 3 378.266 3.412 20 0 GGADHM Cc1sc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1-c1ccc(Cl)cc1 ZINC000826349816 607705835 /nfs/dbraw/zinc/70/58/35/607705835.db2.gz VSDHKBHEXOOEEQ-UHFFFAOYSA-N -1 3 399.867 3.210 20 0 GGADHM Cc1sc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1-c1ccc(Cl)cc1 ZINC000826349816 607705836 /nfs/dbraw/zinc/70/58/36/607705836.db2.gz VSDHKBHEXOOEEQ-UHFFFAOYSA-N -1 3 399.867 3.210 20 0 GGADHM O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459971 607709286 /nfs/dbraw/zinc/70/92/86/607709286.db2.gz HZZDQUZBGDKQFM-GFCCVEGCSA-N -1 3 391.460 3.176 20 0 GGADHM O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459971 607709288 /nfs/dbraw/zinc/70/92/88/607709288.db2.gz HZZDQUZBGDKQFM-GFCCVEGCSA-N -1 3 391.460 3.176 20 0 GGADHM O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000833312464 604741024 /nfs/dbraw/zinc/74/10/24/604741024.db2.gz UNECEZSSHPIHJL-OAHLLOKOSA-N -1 3 396.472 3.342 20 0 GGADHM C[C@H]1CN([C@@H](CNCc2ccc(C(=O)[O-])cc2F)c2cccs2)CCO1 ZINC000833619094 604756951 /nfs/dbraw/zinc/75/69/51/604756951.db2.gz AWTQIJNLMGZDBQ-GUYCJALGSA-N -1 3 378.469 3.137 20 0 GGADHM C[C@@H]1CN([C@H](CNCc2ccc(C(=O)[O-])cc2F)c2cccs2)CCO1 ZINC000833619089 604757336 /nfs/dbraw/zinc/75/73/36/604757336.db2.gz AWTQIJNLMGZDBQ-CXAGYDPISA-N -1 3 378.469 3.137 20 0 GGADHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000833770764 604760091 /nfs/dbraw/zinc/76/00/91/604760091.db2.gz NBCWUGKMRSPDFI-KRWDZBQOSA-N -1 3 394.265 3.367 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000832601612 604762775 /nfs/dbraw/zinc/76/27/75/604762775.db2.gz MRNUXEHVMQNXCZ-UEIJICEPSA-N -1 3 390.505 3.114 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000832601615 604763033 /nfs/dbraw/zinc/76/30/33/604763033.db2.gz MRNUXEHVMQNXCZ-YZYPPFLQSA-N -1 3 390.505 3.114 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1)C(=O)[O-] ZINC000833544497 604773049 /nfs/dbraw/zinc/77/30/49/604773049.db2.gz YTKSLUUARCEPSA-HLLBOEOZSA-N -1 3 392.496 3.416 20 0 GGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000829143065 604797480 /nfs/dbraw/zinc/79/74/80/604797480.db2.gz XGDGZNFZKJVLPA-JLZZUVOBSA-N -1 3 387.307 3.162 20 0 GGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000829143067 604797706 /nfs/dbraw/zinc/79/77/06/604797706.db2.gz XGDGZNFZKJVLPA-OAUYIBNBSA-N -1 3 387.307 3.162 20 0 GGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000829143059 604797831 /nfs/dbraw/zinc/79/78/31/604797831.db2.gz XGDGZNFZKJVLPA-CSMYWGQOSA-N -1 3 387.307 3.162 20 0 GGADHM C[C@@]1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569864 604816996 /nfs/dbraw/zinc/81/69/96/604816996.db2.gz PRRSXZJLJMUUOA-OXQOHEQNSA-N -1 3 387.505 3.196 20 0 GGADHM O=C([O-])c1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1F ZINC000833157731 604818040 /nfs/dbraw/zinc/81/80/40/604818040.db2.gz PMDSUZYNBZZBRQ-UHFFFAOYSA-N -1 3 388.464 3.368 20 0 GGADHM C[C@]1(NCc2csc(CC(=O)Nc3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833571436 604820828 /nfs/dbraw/zinc/82/08/28/604820828.db2.gz ZCBSVFAPEXMMRS-JXFKEZNVSA-N -1 3 387.505 3.447 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000833600587 604841426 /nfs/dbraw/zinc/84/14/26/604841426.db2.gz MDAQVGADFHJMTR-HRAATJIYSA-N -1 3 393.487 3.116 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417222 604857469 /nfs/dbraw/zinc/85/74/69/604857469.db2.gz NELLUQWYEADMKQ-HKUYNNGSSA-N -1 3 394.471 3.295 20 0 GGADHM CC1(C)CCC(CC(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000824797268 607720832 /nfs/dbraw/zinc/72/08/32/607720832.db2.gz XRAUGOZEJLAJAQ-UHFFFAOYSA-N -1 3 377.470 3.016 20 0 GGADHM CC1(C)CCC(CC(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000824797268 607720834 /nfs/dbraw/zinc/72/08/34/607720834.db2.gz XRAUGOZEJLAJAQ-UHFFFAOYSA-N -1 3 377.470 3.016 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@H]2CCCc3sccc32)CCCN(Cc2ccccc2)C1 ZINC000833128326 604887630 /nfs/dbraw/zinc/88/76/30/604887630.db2.gz DFBNQAFXLCMMGJ-AVRDEDQJSA-N -1 3 398.528 3.404 20 0 GGADHM CC(C)(C)OC(=O)N(CC1CC1)C1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833435241 604915240 /nfs/dbraw/zinc/91/52/40/604915240.db2.gz XTNRDBCGBRMSNQ-GOSISDBHSA-N -1 3 389.496 3.319 20 0 GGADHM CC(C)(C)OC(=O)N(CC1CC1)C1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833435242 604915925 /nfs/dbraw/zinc/91/59/25/604915925.db2.gz XTNRDBCGBRMSNQ-SFHVURJKSA-N -1 3 389.496 3.319 20 0 GGADHM CN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CCC(CO)CC1 ZINC000833691734 604922739 /nfs/dbraw/zinc/92/27/39/604922739.db2.gz GUIJZCRICPCFSF-UHFFFAOYSA-N -1 3 389.279 3.113 20 0 GGADHM CN(CCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000830785031 604923548 /nfs/dbraw/zinc/92/35/48/604923548.db2.gz FCDYBUVOIFTOMF-UHFFFAOYSA-N -1 3 391.855 3.057 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000830579691 604925027 /nfs/dbraw/zinc/92/50/27/604925027.db2.gz AWWTVJSBTRUHLG-INIZCTEOSA-N -1 3 391.855 3.228 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000830579692 604925085 /nfs/dbraw/zinc/92/50/85/604925085.db2.gz AWWTVJSBTRUHLG-MRXNPFEDSA-N -1 3 391.855 3.228 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833407325 604931305 /nfs/dbraw/zinc/93/13/05/604931305.db2.gz BJVHSXXPDMRIKP-STQMWFEESA-N -1 3 384.423 3.438 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000833421684 604932817 /nfs/dbraw/zinc/93/28/17/604932817.db2.gz YGAMYNVHXWVMST-GFCCVEGCSA-N -1 3 388.386 3.347 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409926 604937507 /nfs/dbraw/zinc/93/75/07/604937507.db2.gz SWEQTSLJRKIUOY-DLBZAZTESA-N -1 3 387.524 3.437 20 0 GGADHM C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409927 604937628 /nfs/dbraw/zinc/93/76/28/604937628.db2.gz SWEQTSLJRKIUOY-IAGOWNOFSA-N -1 3 387.524 3.437 20 0 GGADHM CCCc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000833653475 604942190 /nfs/dbraw/zinc/94/21/90/604942190.db2.gz VRLDUBCALHNBQO-OAHLLOKOSA-N -1 3 398.507 3.324 20 0 GGADHM C[C@H](c1ccncc1)N1CCC(NC(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000833552254 604942276 /nfs/dbraw/zinc/94/22/76/604942276.db2.gz ZTGQJLQYNFEGJM-MRXNPFEDSA-N -1 3 381.476 3.054 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(COc2ccc(F)cc2)no1 ZINC000248562498 604963549 /nfs/dbraw/zinc/96/35/49/604963549.db2.gz OBNYROXPBYASKG-WQVCFCJDSA-N -1 3 375.400 3.005 20 0 GGADHM CN(C(=O)CN1CCC[C@H]1CC(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000833684567 604968250 /nfs/dbraw/zinc/96/82/50/604968250.db2.gz JELZUUDQNSKZTC-SIKLNZKXSA-N -1 3 384.451 3.313 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000827949666 604968939 /nfs/dbraw/zinc/96/89/39/604968939.db2.gz MHNOMGDEHZZKEV-DZGCQCFKSA-N -1 3 388.493 3.117 20 0 GGADHM O=C([O-])CCc1csc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000833239543 604970743 /nfs/dbraw/zinc/97/07/43/604970743.db2.gz HWVYMKOMFXNFQE-INIZCTEOSA-N -1 3 388.493 3.119 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000833415998 604974234 /nfs/dbraw/zinc/97/42/34/604974234.db2.gz WAGSTRAZLGBUAI-RTBURBONSA-N -1 3 387.524 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000833414195 604978088 /nfs/dbraw/zinc/97/80/88/604978088.db2.gz ITTOPDAZYBZFHT-RBUKOAKNSA-N -1 3 387.524 3.183 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000833549988 604979839 /nfs/dbraw/zinc/97/98/39/604979839.db2.gz UCHPJQPLEIIWSF-NEWSRXKRSA-N -1 3 387.524 3.354 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000833417281 604985206 /nfs/dbraw/zinc/98/52/06/604985206.db2.gz OEPBWYLXMSXWII-RBUKOAKNSA-N -1 3 387.524 3.183 20 0 GGADHM C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833547725 604986648 /nfs/dbraw/zinc/98/66/48/604986648.db2.gz INFWOWSOXRKBNS-FOIQADDNSA-N -1 3 382.460 3.157 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000833416448 604992337 /nfs/dbraw/zinc/99/23/37/604992337.db2.gz YSHLOJVQZMTRAR-ZWKOTPCHSA-N -1 3 390.499 3.387 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccnc1 ZINC000833157579 604998517 /nfs/dbraw/zinc/99/85/17/604998517.db2.gz DRJMGRGVXITZSI-IBGZPJMESA-N -1 3 379.391 3.389 20 0 GGADHM COC[C@@](C)(CC(=O)[O-])NCc1cccc(Br)c1OC(F)F ZINC000833722408 605077507 /nfs/dbraw/zinc/07/75/07/605077507.db2.gz ULSLTYRAJVJXAN-CQSZACIVSA-N -1 3 382.201 3.020 20 0 GGADHM COC[C@](C)(CC(=O)[O-])NCc1cccc(Br)c1OC(F)F ZINC000833722407 605077717 /nfs/dbraw/zinc/07/77/17/605077717.db2.gz ULSLTYRAJVJXAN-AWEZNQCLSA-N -1 3 382.201 3.020 20 0 GGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824394857 607732801 /nfs/dbraw/zinc/73/28/01/607732801.db2.gz ZGFNKZNQIIXOPC-WPRPVWTQSA-N -1 3 384.387 3.266 20 0 GGADHM C[C@@H](C[C@H](O)c1cccs1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824394857 607732803 /nfs/dbraw/zinc/73/28/03/607732803.db2.gz ZGFNKZNQIIXOPC-WPRPVWTQSA-N -1 3 384.387 3.266 20 0 GGADHM CC[C@H](NCc1cc(C(=O)[O-])sc1C)c1ccccc1OCC(=O)NC ZINC000833645537 605081318 /nfs/dbraw/zinc/08/13/18/605081318.db2.gz WJTJPHCUOHJPNF-HNNXBMFYSA-N -1 3 376.478 3.120 20 0 GGADHM C[C@@H](Oc1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1)C(=O)[O-] ZINC000833539105 605090011 /nfs/dbraw/zinc/09/00/11/605090011.db2.gz FXAJASRTKWIECU-FZKQIMNGSA-N -1 3 383.366 3.078 20 0 GGADHM C[C@@H](Oc1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1)C(=O)[O-] ZINC000833539102 605090160 /nfs/dbraw/zinc/09/01/60/605090160.db2.gz FXAJASRTKWIECU-ACJLOTCBSA-N -1 3 383.366 3.078 20 0 GGADHM CCC(CC)(CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(=O)[O-] ZINC000382622198 605096366 /nfs/dbraw/zinc/09/63/66/605096366.db2.gz FKWWDIOEMROTAL-QGZVFWFLSA-N -1 3 375.513 3.183 20 0 GGADHM CC[C@H](NCc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccc2c(c1)OCCO2 ZINC000833643861 605096934 /nfs/dbraw/zinc/09/69/34/605096934.db2.gz IQTJMOZKUKFMGR-KRWDZBQOSA-N -1 3 385.416 3.184 20 0 GGADHM Brc1cc(CN(c2ccc(-c3nnn[n-]3)cn2)C2CC2)cs1 ZINC000823826713 607734776 /nfs/dbraw/zinc/73/47/76/607734776.db2.gz NNWFSIWXQOPRNB-UHFFFAOYSA-N -1 3 377.271 3.255 20 0 GGADHM Brc1cc(CN(c2ccc(-c3nn[n-]n3)cn2)C2CC2)cs1 ZINC000823826713 607734777 /nfs/dbraw/zinc/73/47/77/607734777.db2.gz NNWFSIWXQOPRNB-UHFFFAOYSA-N -1 3 377.271 3.255 20 0 GGADHM C[C@H](Oc1ccc(CNC(C)(C)C(=O)NCC2CCCCC2)cc1)C(=O)[O-] ZINC000833538284 605117566 /nfs/dbraw/zinc/11/75/66/605117566.db2.gz CFTMPBHNBHDFSB-HNNXBMFYSA-N -1 3 376.497 3.103 20 0 GGADHM O[C@H](c1ccccc1)C1(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000826505399 607735469 /nfs/dbraw/zinc/73/54/69/607735469.db2.gz UUGLMHLQBUWMJJ-CQSZACIVSA-N -1 3 390.369 3.206 20 0 GGADHM O[C@H](c1ccccc1)C1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000826505399 607735470 /nfs/dbraw/zinc/73/54/70/607735470.db2.gz UUGLMHLQBUWMJJ-CQSZACIVSA-N -1 3 390.369 3.206 20 0 GGADHM CCN1C[C@@H](C)N(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C[C@@H]1C ZINC000833658923 605145890 /nfs/dbraw/zinc/14/58/90/605145890.db2.gz WJCQYGWCNRTTQI-WDEREUQCSA-N -1 3 388.295 3.045 20 0 GGADHM CCN1C[C@H](C)N(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C[C@H]1C ZINC000833658921 605146624 /nfs/dbraw/zinc/14/66/24/605146624.db2.gz WJCQYGWCNRTTQI-MNOVXSKESA-N -1 3 388.295 3.045 20 0 GGADHM CN(C)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000833687569 605179852 /nfs/dbraw/zinc/17/98/52/605179852.db2.gz VVEVFOCIGJPUKU-MRXNPFEDSA-N -1 3 391.265 3.066 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCCc1c(F)cccc1F)c1ccccc1 ZINC000833414538 605180275 /nfs/dbraw/zinc/18/02/75/605180275.db2.gz SEEZATQFWMGDCW-IBGZPJMESA-N -1 3 390.430 3.065 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC000833411722 605182184 /nfs/dbraw/zinc/18/21/84/605182184.db2.gz DBUULLBETHPQML-LJQANCHMSA-N -1 3 384.480 3.378 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 ZINC000833415746 605185810 /nfs/dbraw/zinc/18/58/10/605185810.db2.gz XOZDXIGTVPRMIZ-QGZVFWFLSA-N -1 3 387.505 3.402 20 0 GGADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826453657 607740063 /nfs/dbraw/zinc/74/00/63/607740063.db2.gz UQLLSSFPIQHQME-UHFFFAOYSA-N -1 3 386.721 3.042 20 0 GGADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826453657 607740064 /nfs/dbraw/zinc/74/00/64/607740064.db2.gz UQLLSSFPIQHQME-UHFFFAOYSA-N -1 3 386.721 3.042 20 0 GGADHM CC1(C2CCN([C@@H](C(=O)[O-])c3cccc(Br)c3)CC2)OCCO1 ZINC000833565138 605207164 /nfs/dbraw/zinc/20/71/64/605207164.db2.gz XMIULPDGIFVEGG-OAHLLOKOSA-N -1 3 384.270 3.050 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1ccccc1F ZINC000833437885 605222058 /nfs/dbraw/zinc/22/20/58/605222058.db2.gz XJUHHYKPHGZGGK-KEYYUXOJSA-N -1 3 378.444 3.425 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccccc1 ZINC000833411477 605241701 /nfs/dbraw/zinc/24/17/01/605241701.db2.gz OKTWQNWUCPPQIS-HRAATJIYSA-N -1 3 396.491 3.062 20 0 GGADHM CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833495837 605262809 /nfs/dbraw/zinc/26/28/09/605262809.db2.gz YVHMLKBROKIJSN-MRXNPFEDSA-N -1 3 386.414 3.410 20 0 GGADHM CC(C)C(=O)NC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463661 605263822 /nfs/dbraw/zinc/26/38/22/605263822.db2.gz PCTXAXSGWSEKCM-BBRMVZONSA-N -1 3 386.414 3.315 20 0 GGADHM CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463665 605264125 /nfs/dbraw/zinc/26/41/25/605264125.db2.gz PCTXAXSGWSEKCM-XJKSGUPXSA-N -1 3 386.414 3.315 20 0 GGADHM CN(c1cccnn1)C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833697823 605264855 /nfs/dbraw/zinc/26/48/55/605264855.db2.gz KTDUOLZYMLKTRY-QGZVFWFLSA-N -1 3 394.397 3.222 20 0 GGADHM Cc1nc(C)n([C@H]2CCCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755538 605265549 /nfs/dbraw/zinc/26/55/49/605265549.db2.gz QPQGFOSNEGLQHC-BBRMVZONSA-N -1 3 382.386 3.377 20 0 GGADHM CN(C(=O)CN[C@H](CN1CCCCC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686551 605269664 /nfs/dbraw/zinc/26/96/64/605269664.db2.gz ZDPQRCVJPSPBLX-HXUWFJFHSA-N -1 3 395.503 3.164 20 0 GGADHM COc1cc(OC)c(OC)cc1CN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)C(C)(C)C ZINC000833728688 605358020 /nfs/dbraw/zinc/35/80/20/605358020.db2.gz JLXGCFBGLHYUFH-HNNXBMFYSA-N -1 3 393.480 3.460 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(-c2ccncc2)cc1F ZINC000826371653 607750386 /nfs/dbraw/zinc/75/03/86/607750386.db2.gz OQWYYSHVAYAQNO-UHFFFAOYSA-N -1 3 378.386 3.497 20 0 GGADHM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833649643 605361670 /nfs/dbraw/zinc/36/16/70/605361670.db2.gz RYVCCBMDQBOERV-SRCQZFHVSA-N -1 3 384.879 3.478 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833436209 605363510 /nfs/dbraw/zinc/36/35/10/605363510.db2.gz GKQVVAHAMHGSJV-ABAIWWIYSA-N -1 3 386.851 3.451 20 0 GGADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583606 605369012 /nfs/dbraw/zinc/36/90/12/605369012.db2.gz JEGMVPHUZGGJJC-MNOVXSKESA-N -1 3 376.400 3.489 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000833405310 605424756 /nfs/dbraw/zinc/42/47/56/605424756.db2.gz YYYZRCCHKJHYRY-CZUORRHYSA-N -1 3 398.425 3.206 20 0 GGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000824190879 607756550 /nfs/dbraw/zinc/75/65/50/607756550.db2.gz AOBLZMRFOMPYHI-CQSZACIVSA-N -1 3 378.358 3.341 20 0 GGADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000824190879 607756551 /nfs/dbraw/zinc/75/65/51/607756551.db2.gz AOBLZMRFOMPYHI-CQSZACIVSA-N -1 3 378.358 3.341 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628483 605472620 /nfs/dbraw/zinc/47/26/20/605472620.db2.gz IUSFPVQKGMHIAU-CQSZACIVSA-N -1 3 393.940 3.461 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1-c1nnn[n-]1 ZINC000825545449 607761780 /nfs/dbraw/zinc/76/17/80/607761780.db2.gz RWNIXYVLLSRKGB-UHFFFAOYSA-N -1 3 395.423 3.206 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1-c1nn[n-]n1 ZINC000825545449 607761781 /nfs/dbraw/zinc/76/17/81/607761781.db2.gz RWNIXYVLLSRKGB-UHFFFAOYSA-N -1 3 395.423 3.206 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000825529968 607759063 /nfs/dbraw/zinc/75/90/63/607759063.db2.gz ABRJBYQAOPMABP-UHFFFAOYSA-N -1 3 394.435 3.397 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000825529968 607759064 /nfs/dbraw/zinc/75/90/64/607759064.db2.gz ABRJBYQAOPMABP-UHFFFAOYSA-N -1 3 394.435 3.397 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000825544557 607759441 /nfs/dbraw/zinc/75/94/41/607759441.db2.gz CALRKXDTVZWPQJ-UHFFFAOYSA-N -1 3 380.408 3.304 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000825544557 607759442 /nfs/dbraw/zinc/75/94/42/607759442.db2.gz CALRKXDTVZWPQJ-UHFFFAOYSA-N -1 3 380.408 3.304 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(OCC)c2)cc1-c1nnn[n-]1 ZINC000825545995 607759715 /nfs/dbraw/zinc/75/97/15/607759715.db2.gz ZVBGMXIXXGSNLO-UHFFFAOYSA-N -1 3 396.407 3.086 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(OCC)c2)cc1-c1nn[n-]n1 ZINC000825545995 607759716 /nfs/dbraw/zinc/75/97/16/607759716.db2.gz ZVBGMXIXXGSNLO-UHFFFAOYSA-N -1 3 396.407 3.086 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1-c1nnn[n-]1 ZINC000825545752 607759799 /nfs/dbraw/zinc/75/97/99/607759799.db2.gz WCMZUDCEPMLXDJ-UHFFFAOYSA-N -1 3 399.411 3.107 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1-c1nn[n-]n1 ZINC000825545752 607759800 /nfs/dbraw/zinc/75/98/00/607759800.db2.gz WCMZUDCEPMLXDJ-UHFFFAOYSA-N -1 3 399.411 3.107 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000825545827 607759858 /nfs/dbraw/zinc/75/98/58/607759858.db2.gz XWYHAALRTHXCJY-UHFFFAOYSA-N -1 3 392.375 3.434 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000825545827 607759859 /nfs/dbraw/zinc/75/98/59/607759859.db2.gz XWYHAALRTHXCJY-UHFFFAOYSA-N -1 3 392.375 3.434 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000825532338 607760798 /nfs/dbraw/zinc/76/07/98/607760798.db2.gz SGNBWTNFRJLHEY-UHFFFAOYSA-N -1 3 398.398 3.146 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000825532338 607760799 /nfs/dbraw/zinc/76/07/99/607760799.db2.gz SGNBWTNFRJLHEY-UHFFFAOYSA-N -1 3 398.398 3.146 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2C)cc1-c1nnn[n-]1 ZINC000825544516 607761765 /nfs/dbraw/zinc/76/17/65/607761765.db2.gz AOWRWKNXWJLXEH-UHFFFAOYSA-N -1 3 384.371 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000825544516 607761766 /nfs/dbraw/zinc/76/17/66/607761766.db2.gz AOWRWKNXWJLXEH-UHFFFAOYSA-N -1 3 384.371 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(CC)C[C@H](C)CC)cc1-c1nnn[n-]1 ZINC000825532038 607766810 /nfs/dbraw/zinc/76/68/10/607766810.db2.gz OJXWMBGMQPIMKX-GFCCVEGCSA-N -1 3 389.460 3.335 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(CC)C[C@H](C)CC)cc1-c1nn[n-]n1 ZINC000825532038 607766811 /nfs/dbraw/zinc/76/68/11/607766811.db2.gz OJXWMBGMQPIMKX-GFCCVEGCSA-N -1 3 389.460 3.335 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000825539619 607767209 /nfs/dbraw/zinc/76/72/09/607767209.db2.gz QTIMAWSIBIYFNY-SMDDNHRTSA-N -1 3 387.444 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000825539619 607767210 /nfs/dbraw/zinc/76/72/10/607767210.db2.gz QTIMAWSIBIYFNY-SMDDNHRTSA-N -1 3 387.444 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](CC)C2)cc1-c1nnn[n-]1 ZINC000825540240 607767353 /nfs/dbraw/zinc/76/73/53/607767353.db2.gz WILKPRYVVAOEGR-GFCCVEGCSA-N -1 3 387.444 3.089 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](CC)C2)cc1-c1nn[n-]n1 ZINC000825540240 607767354 /nfs/dbraw/zinc/76/73/54/607767354.db2.gz WILKPRYVVAOEGR-GFCCVEGCSA-N -1 3 387.444 3.089 20 0 GGADHM COCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826164252 607769774 /nfs/dbraw/zinc/76/97/74/607769774.db2.gz LRYUGPGNTCYXHV-UHFFFAOYSA-N -1 3 392.444 3.389 20 0 GGADHM COCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826164252 607769775 /nfs/dbraw/zinc/76/97/75/607769775.db2.gz LRYUGPGNTCYXHV-UHFFFAOYSA-N -1 3 392.444 3.389 20 0 GGADHM O=C(CSC(F)(F)F)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826419720 607769994 /nfs/dbraw/zinc/76/99/94/607769994.db2.gz JUNXHPIMBHFSSU-UHFFFAOYSA-N -1 3 386.384 3.182 20 0 GGADHM O=C(CSC(F)(F)F)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826419720 607769995 /nfs/dbraw/zinc/76/99/95/607769995.db2.gz JUNXHPIMBHFSSU-UHFFFAOYSA-N -1 3 386.384 3.182 20 0 GGADHM CC(C)c1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)on1 ZINC000824342794 607770295 /nfs/dbraw/zinc/77/02/95/607770295.db2.gz UKTYCHLFLPCTJF-UHFFFAOYSA-N -1 3 381.421 3.354 20 0 GGADHM CC(=O)c1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000824030150 607770390 /nfs/dbraw/zinc/77/03/90/607770390.db2.gz WSLKPKFAMKRZFO-UHFFFAOYSA-N -1 3 390.428 3.445 20 0 GGADHM CC(=O)c1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000824030150 607770391 /nfs/dbraw/zinc/77/03/91/607770391.db2.gz WSLKPKFAMKRZFO-UHFFFAOYSA-N -1 3 390.428 3.445 20 0 GGADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(C)n1C ZINC000826260726 607771486 /nfs/dbraw/zinc/77/14/86/607771486.db2.gz CHEKYKBSUDADEU-UHFFFAOYSA-N -1 3 379.449 3.198 20 0 GGADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(C)n1C ZINC000826260726 607771487 /nfs/dbraw/zinc/77/14/87/607771487.db2.gz CHEKYKBSUDADEU-UHFFFAOYSA-N -1 3 379.449 3.198 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826402581 607771502 /nfs/dbraw/zinc/77/15/02/607771502.db2.gz XJRIUSTWSMQRLS-KVPUOBJLSA-N -1 3 395.850 3.213 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826402581 607771503 /nfs/dbraw/zinc/77/15/03/607771503.db2.gz XJRIUSTWSMQRLS-KVPUOBJLSA-N -1 3 395.850 3.213 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825125367 607771916 /nfs/dbraw/zinc/77/19/16/607771916.db2.gz CGQZGVNICGFMRA-CABCVRRESA-N -1 3 397.504 3.321 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825125367 607771917 /nfs/dbraw/zinc/77/19/17/607771917.db2.gz CGQZGVNICGFMRA-CABCVRRESA-N -1 3 397.504 3.321 20 0 GGADHM CC(C)Nc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820136772 606023338 /nfs/dbraw/zinc/02/33/38/606023338.db2.gz BOPFGTNJAISPBW-LBPRGKRZSA-N -1 3 384.415 3.232 20 0 GGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1 ZINC000820218931 606023365 /nfs/dbraw/zinc/02/33/65/606023365.db2.gz BHGJWPZWTYVXBU-OLZOCXBDSA-N -1 3 381.411 3.092 20 0 GGADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1 ZINC000820218931 606023370 /nfs/dbraw/zinc/02/33/70/606023370.db2.gz BHGJWPZWTYVXBU-OLZOCXBDSA-N -1 3 381.411 3.092 20 0 GGADHM CC[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820989086 606027826 /nfs/dbraw/zinc/02/78/26/606027826.db2.gz LURMVONLTYKEBG-FXAWDEMLSA-N -1 3 375.476 3.452 20 0 GGADHM CC[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820989086 606027832 /nfs/dbraw/zinc/02/78/32/606027832.db2.gz LURMVONLTYKEBG-FXAWDEMLSA-N -1 3 375.476 3.452 20 0 GGADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820989160 606030641 /nfs/dbraw/zinc/03/06/41/606030641.db2.gz MVOHIUIIKDDZML-SJLPKXTDSA-N -1 3 391.475 3.288 20 0 GGADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820989160 606030644 /nfs/dbraw/zinc/03/06/44/606030644.db2.gz MVOHIUIIKDDZML-SJLPKXTDSA-N -1 3 391.475 3.288 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(C)noc1C(F)F ZINC000821104398 606052596 /nfs/dbraw/zinc/05/25/96/606052596.db2.gz BNHLILIKXXLQAT-UHFFFAOYSA-N -1 3 376.367 3.153 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(C)noc1C(F)F ZINC000821104398 606052601 /nfs/dbraw/zinc/05/26/01/606052601.db2.gz BNHLILIKXXLQAT-UHFFFAOYSA-N -1 3 376.367 3.153 20 0 GGADHM c1ccc2nc(NCc3ccnc(N4CCCCC4)c3)c(-c3nnn[n-]3)cc2c1 ZINC000823802488 606053689 /nfs/dbraw/zinc/05/36/89/606053689.db2.gz QIHTVDWBMQXXQT-UHFFFAOYSA-N -1 3 386.463 3.412 20 0 GGADHM c1ccc2nc(NCc3ccnc(N4CCCCC4)c3)c(-c3nn[n-]n3)cc2c1 ZINC000823802488 606053697 /nfs/dbraw/zinc/05/36/97/606053697.db2.gz QIHTVDWBMQXXQT-UHFFFAOYSA-N -1 3 386.463 3.412 20 0 GGADHM COc1ccc(-n2ccc(CNc3nc4ccccc4cc3-c3nnn[n-]3)n2)cc1 ZINC000821769312 606055981 /nfs/dbraw/zinc/05/59/81/606055981.db2.gz GNQRJEKZHIDDEX-UHFFFAOYSA-N -1 3 398.430 3.221 20 0 GGADHM COc1ccc(-n2ccc(CNc3nc4ccccc4cc3-c3nn[n-]n3)n2)cc1 ZINC000821769312 606055987 /nfs/dbraw/zinc/05/59/87/606055987.db2.gz GNQRJEKZHIDDEX-UHFFFAOYSA-N -1 3 398.430 3.221 20 0 GGADHM COc1cccc(N2CC[C@H](Nc3nc4ccccc4cc3-c3nnn[n-]3)C2)c1 ZINC000821873783 606069215 /nfs/dbraw/zinc/06/92/15/606069215.db2.gz YDSZFIIBYCRYPF-HNNXBMFYSA-N -1 3 387.447 3.114 20 0 GGADHM COc1cccc(N2CC[C@H](Nc3nc4ccccc4cc3-c3nn[n-]n3)C2)c1 ZINC000821873783 606069221 /nfs/dbraw/zinc/06/92/21/606069221.db2.gz YDSZFIIBYCRYPF-HNNXBMFYSA-N -1 3 387.447 3.114 20 0 GGADHM Fc1ccccc1[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000822796799 606069253 /nfs/dbraw/zinc/06/92/53/606069253.db2.gz ZDIZIGNQKAERNK-GOSISDBHSA-N -1 3 376.395 3.132 20 0 GGADHM Fc1ccccc1[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000822796799 606069257 /nfs/dbraw/zinc/06/92/57/606069257.db2.gz ZDIZIGNQKAERNK-GOSISDBHSA-N -1 3 376.395 3.132 20 0 GGADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@H](C)c1cccc(O)c1 ZINC000821230166 606074995 /nfs/dbraw/zinc/07/49/95/606074995.db2.gz DJVPTSWANOFOIZ-CYBMUJFWSA-N -1 3 391.435 3.205 20 0 GGADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@H](C)c1cccc(O)c1 ZINC000821230166 606074999 /nfs/dbraw/zinc/07/49/99/606074999.db2.gz DJVPTSWANOFOIZ-CYBMUJFWSA-N -1 3 391.435 3.205 20 0 GGADHM Cc1ccc(NC(=O)N2CCN([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000822248324 606088461 /nfs/dbraw/zinc/08/84/61/606088461.db2.gz ARTBLUGFZILFHW-INIZCTEOSA-N -1 3 391.479 3.086 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000819984174 606094526 /nfs/dbraw/zinc/09/45/26/606094526.db2.gz PWBADUHNFWIIJN-UHFFFAOYSA-N -1 3 383.456 3.130 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000819984174 606094529 /nfs/dbraw/zinc/09/45/29/606094529.db2.gz PWBADUHNFWIIJN-UHFFFAOYSA-N -1 3 383.456 3.130 20 0 GGADHM Cc1cc(N2CCC(Nc3cc(Cl)ccc3-c3nn[n-]n3)CC2)nc(C)n1 ZINC000822206969 606102328 /nfs/dbraw/zinc/10/23/28/606102328.db2.gz GKLJQQQFBQTDNL-UHFFFAOYSA-N -1 3 384.875 3.008 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000820031140 606103230 /nfs/dbraw/zinc/10/32/30/606103230.db2.gz AIZFVLLHMHJGBY-IFXJQAMLSA-N -1 3 377.448 3.374 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000820031140 606103232 /nfs/dbraw/zinc/10/32/32/606103232.db2.gz AIZFVLLHMHJGBY-IFXJQAMLSA-N -1 3 377.448 3.374 20 0 GGADHM COc1ncc(C)cc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821910863 606104846 /nfs/dbraw/zinc/10/48/46/606104846.db2.gz JHKGKDWOCMDVDI-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM COc1ncc(C)cc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821910863 606104847 /nfs/dbraw/zinc/10/48/47/606104847.db2.gz JHKGKDWOCMDVDI-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821882608 606105029 /nfs/dbraw/zinc/10/50/29/606105029.db2.gz FRBNFKHBOLEKJC-GOSISDBHSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821882608 606105032 /nfs/dbraw/zinc/10/50/32/606105032.db2.gz FRBNFKHBOLEKJC-GOSISDBHSA-N -1 3 379.464 3.321 20 0 GGADHM Cn1cccc1[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822690191 606105419 /nfs/dbraw/zinc/10/54/19/606105419.db2.gz VFYFHBONSMJCDJ-KRWDZBQOSA-N -1 3 382.493 3.051 20 0 GGADHM Cn1cccc1[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822690191 606105422 /nfs/dbraw/zinc/10/54/22/606105422.db2.gz VFYFHBONSMJCDJ-KRWDZBQOSA-N -1 3 382.493 3.051 20 0 GGADHM CCN(CCc1cccs1)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821214857 606110268 /nfs/dbraw/zinc/11/02/68/606110268.db2.gz NCDXKILRHAWWIY-UHFFFAOYSA-N -1 3 390.538 3.110 20 0 GGADHM CN(CCCOc1ccc(-c2nn[n-]n2)cc1)Cc1nc(C(F)(F)F)cs1 ZINC000821600332 606111165 /nfs/dbraw/zinc/11/11/65/606111165.db2.gz IERIHVNRMXXDCF-UHFFFAOYSA-N -1 3 398.414 3.243 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](c2ncccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822369906 606111562 /nfs/dbraw/zinc/11/15/62/606111562.db2.gz OTPHAYPDOZELBR-INIZCTEOSA-N -1 3 399.524 3.174 20 0 GGADHM O=C(/C=C/C1CCCCC1)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822922733 606112551 /nfs/dbraw/zinc/11/25/51/606112551.db2.gz IROWCAAVCYITGJ-ZHACJKMWSA-N -1 3 380.496 3.088 20 0 GGADHM O=C(/C=C/C1CCCCC1)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822922733 606112553 /nfs/dbraw/zinc/11/25/53/606112553.db2.gz IROWCAAVCYITGJ-ZHACJKMWSA-N -1 3 380.496 3.088 20 0 GGADHM COc1ncc(C)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821911449 606116468 /nfs/dbraw/zinc/11/64/68/606116468.db2.gz SRSOICLBYYEVMA-UHFFFAOYSA-N -1 3 395.467 3.269 20 0 GGADHM COc1ncc(C)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821911449 606116470 /nfs/dbraw/zinc/11/64/70/606116470.db2.gz SRSOICLBYYEVMA-UHFFFAOYSA-N -1 3 395.467 3.269 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716250 606117191 /nfs/dbraw/zinc/11/71/91/606117191.db2.gz HVOMMNYYPDLSAR-UGSOOPFHSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820716250 606117193 /nfs/dbraw/zinc/11/71/93/606117193.db2.gz HVOMMNYYPDLSAR-UGSOOPFHSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H](NC(=O)N1CCCC[C@H]1c1cccn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820349308 606118218 /nfs/dbraw/zinc/11/82/18/606118218.db2.gz HICKGNLCYBZMTA-KDOFPFPSSA-N -1 3 379.468 3.203 20 0 GGADHM C[C@@H](NC(=O)N1CCCC[C@H]1c1cccn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820349308 606118220 /nfs/dbraw/zinc/11/82/20/606118220.db2.gz HICKGNLCYBZMTA-KDOFPFPSSA-N -1 3 379.468 3.203 20 0 GGADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823368422 606122300 /nfs/dbraw/zinc/12/23/00/606122300.db2.gz XMCZKRGHVBKHFJ-UHFFFAOYSA-N -1 3 391.435 3.033 20 0 GGADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823368422 606122301 /nfs/dbraw/zinc/12/23/01/606122301.db2.gz XMCZKRGHVBKHFJ-UHFFFAOYSA-N -1 3 391.435 3.033 20 0 GGADHM C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000820321590 606123351 /nfs/dbraw/zinc/12/33/51/606123351.db2.gz IZXUOPLPTLXMJK-GUXCAODWSA-N -1 3 390.491 3.144 20 0 GGADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2n1C ZINC000820497646 606127386 /nfs/dbraw/zinc/12/73/86/606127386.db2.gz UBKBFHJVBNUFNY-LBPRGKRZSA-N -1 3 394.460 3.150 20 0 GGADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2n1C ZINC000820497646 606127387 /nfs/dbraw/zinc/12/73/87/606127387.db2.gz UBKBFHJVBNUFNY-LBPRGKRZSA-N -1 3 394.460 3.150 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1CC(OCc2ccccc2)C1 ZINC000823426440 606131637 /nfs/dbraw/zinc/13/16/37/606131637.db2.gz ITLYRHXTNIHVMJ-UHFFFAOYSA-N -1 3 382.395 3.044 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1CC(OCc2ccccc2)C1 ZINC000823426440 606131639 /nfs/dbraw/zinc/13/16/39/606131639.db2.gz ITLYRHXTNIHVMJ-UHFFFAOYSA-N -1 3 382.395 3.044 20 0 GGADHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820497416 606134829 /nfs/dbraw/zinc/13/48/29/606134829.db2.gz RBKPVTCQOZSEKL-SNVBAGLBSA-N -1 3 376.775 3.342 20 0 GGADHM C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820497416 606134832 /nfs/dbraw/zinc/13/48/32/606134832.db2.gz RBKPVTCQOZSEKL-SNVBAGLBSA-N -1 3 376.775 3.342 20 0 GGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820503083 606145790 /nfs/dbraw/zinc/14/57/90/606145790.db2.gz YKNWZADZUNTKGW-CQSZACIVSA-N -1 3 378.432 3.347 20 0 GGADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820503083 606145793 /nfs/dbraw/zinc/14/57/93/606145793.db2.gz YKNWZADZUNTKGW-CQSZACIVSA-N -1 3 378.432 3.347 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1csc(-c2cccs2)n1 ZINC000823112346 606145946 /nfs/dbraw/zinc/14/59/46/606145946.db2.gz XXZXZCAJKZPBPK-UHFFFAOYSA-N -1 3 383.458 3.338 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1csc(-c2cccs2)n1 ZINC000823112346 606145947 /nfs/dbraw/zinc/14/59/47/606145947.db2.gz XXZXZCAJKZPBPK-UHFFFAOYSA-N -1 3 383.458 3.338 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCOc1c(Cl)cccc1Cl ZINC000823112444 606146855 /nfs/dbraw/zinc/14/68/55/606146855.db2.gz ZVBUGKCRTMRIRV-UHFFFAOYSA-N -1 3 393.230 3.338 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCOc1c(Cl)cccc1Cl ZINC000823112444 606146856 /nfs/dbraw/zinc/14/68/56/606146856.db2.gz ZVBUGKCRTMRIRV-UHFFFAOYSA-N -1 3 393.230 3.338 20 0 GGADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000822226325 606148468 /nfs/dbraw/zinc/14/84/68/606148468.db2.gz MMYYDGVWPFAYBU-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000822226325 606148470 /nfs/dbraw/zinc/14/84/70/606148470.db2.gz MMYYDGVWPFAYBU-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM O=C([C@H]1CC12CCCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000822917085 606149060 /nfs/dbraw/zinc/14/90/60/606149060.db2.gz MXLWDCBQUCZZMF-CQSZACIVSA-N -1 3 379.386 3.338 20 0 GGADHM O=C([C@H]1CC12CCCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000822917085 606149062 /nfs/dbraw/zinc/14/90/62/606149062.db2.gz MXLWDCBQUCZZMF-CQSZACIVSA-N -1 3 379.386 3.338 20 0 GGADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(-c2cccnc2)cc1 ZINC000820404588 606149458 /nfs/dbraw/zinc/14/94/58/606149458.db2.gz YQXFPKGHRNJKIJ-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(-c2cccnc2)cc1 ZINC000820404588 606149460 /nfs/dbraw/zinc/14/94/60/606149460.db2.gz YQXFPKGHRNJKIJ-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM CC(=CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819765350 606149478 /nfs/dbraw/zinc/14/94/78/606149478.db2.gz OSVBNRZISQAIKW-WQLSENKSSA-N -1 3 397.822 3.105 20 0 GGADHM CC(=CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819765350 606149480 /nfs/dbraw/zinc/14/94/80/606149480.db2.gz OSVBNRZISQAIKW-WQLSENKSSA-N -1 3 397.822 3.105 20 0 GGADHM CSc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821984975 606150983 /nfs/dbraw/zinc/15/09/83/606150983.db2.gz WQGDEBQGSXIZSZ-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM CSc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821984975 606150985 /nfs/dbraw/zinc/15/09/85/606150985.db2.gz WQGDEBQGSXIZSZ-UHFFFAOYSA-N -1 3 375.841 3.260 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000822217478 606152516 /nfs/dbraw/zinc/15/25/16/606152516.db2.gz FRTSXMZFBRMCFP-MJGOQNOKSA-N -1 3 392.463 3.295 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000822217478 606152517 /nfs/dbraw/zinc/15/25/17/606152517.db2.gz FRTSXMZFBRMCFP-MJGOQNOKSA-N -1 3 392.463 3.295 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000820151102 606155609 /nfs/dbraw/zinc/15/56/09/606155609.db2.gz CQXLWUJBKPSDPV-MAUKXSAKSA-N -1 3 398.511 3.247 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000820151102 606155611 /nfs/dbraw/zinc/15/56/11/606155611.db2.gz CQXLWUJBKPSDPV-MAUKXSAKSA-N -1 3 398.511 3.247 20 0 GGADHM CCOc1ccc(OCC)c(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000821426952 606157095 /nfs/dbraw/zinc/15/70/95/606157095.db2.gz KVPIKTAWNVJJRQ-ZDUSSCGKSA-N -1 3 396.451 3.103 20 0 GGADHM CCOc1ccc(OCC)c(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000821426952 606157097 /nfs/dbraw/zinc/15/70/97/606157097.db2.gz KVPIKTAWNVJJRQ-ZDUSSCGKSA-N -1 3 396.451 3.103 20 0 GGADHM CN(Cc1nc2c(s1)CCCC2)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821617167 606164688 /nfs/dbraw/zinc/16/46/88/606164688.db2.gz ZYPARJMUXOCXNX-UHFFFAOYSA-N -1 3 377.477 3.387 20 0 GGADHM CN(Cc1nc2c(s1)CCCC2)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821617167 606164689 /nfs/dbraw/zinc/16/46/89/606164689.db2.gz ZYPARJMUXOCXNX-UHFFFAOYSA-N -1 3 377.477 3.387 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000821608838 606172714 /nfs/dbraw/zinc/17/27/14/606172714.db2.gz WXHUENRRNRBLFF-UHFFFAOYSA-N -1 3 376.420 3.050 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000821608838 606172716 /nfs/dbraw/zinc/17/27/16/606172716.db2.gz WXHUENRRNRBLFF-UHFFFAOYSA-N -1 3 376.420 3.050 20 0 GGADHM CCOc1ncccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821436935 606174310 /nfs/dbraw/zinc/17/43/10/606174310.db2.gz HUIBBOMBMGITJS-UHFFFAOYSA-N -1 3 375.230 3.035 20 0 GGADHM CCOc1ncccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821436935 606174312 /nfs/dbraw/zinc/17/43/12/606174312.db2.gz HUIBBOMBMGITJS-UHFFFAOYSA-N -1 3 375.230 3.035 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821358669 606174637 /nfs/dbraw/zinc/17/46/37/606174637.db2.gz JXDOSVUCNXENPY-BMGDILEWSA-N -1 3 398.511 3.355 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821358669 606174638 /nfs/dbraw/zinc/17/46/38/606174638.db2.gz JXDOSVUCNXENPY-BMGDILEWSA-N -1 3 398.511 3.355 20 0 GGADHM CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000821357502 606175852 /nfs/dbraw/zinc/17/58/52/606175852.db2.gz CZQBOXZHSSJPSO-MSOLQXFVSA-N -1 3 398.511 3.136 20 0 GGADHM CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000821357502 606175853 /nfs/dbraw/zinc/17/58/53/606175853.db2.gz CZQBOXZHSSJPSO-MSOLQXFVSA-N -1 3 398.511 3.136 20 0 GGADHM Cc1ccc(-c2nc(C[S@](=O)Cc3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000822213779 606180098 /nfs/dbraw/zinc/18/00/98/606180098.db2.gz ALJFUWRBEBAGCL-HHHXNRCGSA-N -1 3 379.445 3.279 20 0 GGADHM Cc1ccc(-c2nc(C[S@](=O)Cc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000822213779 606180100 /nfs/dbraw/zinc/18/01/00/606180100.db2.gz ALJFUWRBEBAGCL-HHHXNRCGSA-N -1 3 379.445 3.279 20 0 GGADHM CCOc1cccc([C@H](CC)OC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821427396 606182107 /nfs/dbraw/zinc/18/21/07/606182107.db2.gz RYUHOMOCKSYXPC-SFHVURJKSA-N -1 3 382.420 3.339 20 0 GGADHM CCOc1cccc([C@H](CC)OC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821427396 606182109 /nfs/dbraw/zinc/18/21/09/606182109.db2.gz RYUHOMOCKSYXPC-SFHVURJKSA-N -1 3 382.420 3.339 20 0 GGADHM Cc1cncc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000822399382 606188853 /nfs/dbraw/zinc/18/88/53/606188853.db2.gz FRVCONGXXVFKDL-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1cncc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000822399382 606188855 /nfs/dbraw/zinc/18/88/55/606188855.db2.gz FRVCONGXXVFKDL-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000820542720 606189418 /nfs/dbraw/zinc/18/94/18/606189418.db2.gz QZOKHHFIMADGEE-LLVKDONJSA-N -1 3 390.403 3.291 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000820542720 606189420 /nfs/dbraw/zinc/18/94/20/606189420.db2.gz QZOKHHFIMADGEE-LLVKDONJSA-N -1 3 390.403 3.291 20 0 GGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822419299 606190378 /nfs/dbraw/zinc/19/03/78/606190378.db2.gz PDHTZEYIAZIUDT-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822419299 606190379 /nfs/dbraw/zinc/19/03/79/606190379.db2.gz PDHTZEYIAZIUDT-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821688332 606195734 /nfs/dbraw/zinc/19/57/34/606195734.db2.gz HJWKTQBBQPORFS-CQSZACIVSA-N -1 3 396.451 3.165 20 0 GGADHM COCCCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821688332 606195735 /nfs/dbraw/zinc/19/57/35/606195735.db2.gz HJWKTQBBQPORFS-CQSZACIVSA-N -1 3 396.451 3.165 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822476990 606206175 /nfs/dbraw/zinc/20/61/75/606206175.db2.gz CCRGSDIZXLBEHU-ZDUSSCGKSA-N -1 3 388.435 3.244 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000822665447 606208028 /nfs/dbraw/zinc/20/80/28/606208028.db2.gz QCZHOLFHBFUBJJ-UHFFFAOYSA-N -1 3 398.220 3.340 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000822665447 606208029 /nfs/dbraw/zinc/20/80/29/606208029.db2.gz QCZHOLFHBFUBJJ-UHFFFAOYSA-N -1 3 398.220 3.340 20 0 GGADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823600206 606212999 /nfs/dbraw/zinc/21/29/99/606212999.db2.gz DKSSCDUVJSPENX-UHFFFAOYSA-N -1 3 399.451 3.027 20 0 GGADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823600206 606213001 /nfs/dbraw/zinc/21/30/01/606213001.db2.gz DKSSCDUVJSPENX-UHFFFAOYSA-N -1 3 399.451 3.027 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000822623480 606213396 /nfs/dbraw/zinc/21/33/96/606213396.db2.gz XWXLKNGTMWBUNN-UHFFFAOYSA-N -1 3 384.490 3.171 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000822623480 606213397 /nfs/dbraw/zinc/21/33/97/606213397.db2.gz XWXLKNGTMWBUNN-UHFFFAOYSA-N -1 3 384.490 3.171 20 0 GGADHM CC(C)c1ccc(OC2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)cc1 ZINC000820192764 606230569 /nfs/dbraw/zinc/23/05/69/606230569.db2.gz YNDJAHJXGVMTPP-UHFFFAOYSA-N -1 3 394.479 3.012 20 0 GGADHM CC(C)c1ccc(OC2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)cc1 ZINC000820192764 606230571 /nfs/dbraw/zinc/23/05/71/606230571.db2.gz YNDJAHJXGVMTPP-UHFFFAOYSA-N -1 3 394.479 3.012 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1c(Cl)ccc(F)c1Cl ZINC000820384338 606232037 /nfs/dbraw/zinc/23/20/37/606232037.db2.gz BTGJHXFRHMTGEL-SSDOTTSWSA-N -1 3 383.214 3.142 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1c(Cl)ccc(F)c1Cl ZINC000820384338 606232039 /nfs/dbraw/zinc/23/20/39/606232039.db2.gz BTGJHXFRHMTGEL-SSDOTTSWSA-N -1 3 383.214 3.142 20 0 GGADHM Cc1nnc(NCc2csc(CCc3ccccc3)n2)c(-c2nnn[n-]2)c1C ZINC000822515824 606232682 /nfs/dbraw/zinc/23/26/82/606232682.db2.gz QHDRDWZOJGBYBL-UHFFFAOYSA-N -1 3 392.492 3.127 20 0 GGADHM Cc1nnc(NCc2csc(CCc3ccccc3)n2)c(-c2nn[n-]n2)c1C ZINC000822515824 606232684 /nfs/dbraw/zinc/23/26/84/606232684.db2.gz QHDRDWZOJGBYBL-UHFFFAOYSA-N -1 3 392.492 3.127 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000822649471 606233252 /nfs/dbraw/zinc/23/32/52/606233252.db2.gz CJZSWNUAHGRXBE-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000822649471 606233254 /nfs/dbraw/zinc/23/32/54/606233254.db2.gz CJZSWNUAHGRXBE-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM O=C(OCc1ccon1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823440152 606237652 /nfs/dbraw/zinc/23/76/52/606237652.db2.gz FOPORIMHBBGGDL-UHFFFAOYSA-N -1 3 379.401 3.363 20 0 GGADHM O=C(OCc1ccon1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823440152 606237653 /nfs/dbraw/zinc/23/76/53/606237653.db2.gz FOPORIMHBBGGDL-UHFFFAOYSA-N -1 3 379.401 3.363 20 0 GGADHM CC(C)N1CCC[C@H](Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000820132901 606239063 /nfs/dbraw/zinc/23/90/63/606239063.db2.gz NJDBGHPBRAJDKJ-SFHVURJKSA-N -1 3 392.463 3.470 20 0 GGADHM CC(C)N1CCC[C@H](Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000820132901 606239065 /nfs/dbraw/zinc/23/90/65/606239065.db2.gz NJDBGHPBRAJDKJ-SFHVURJKSA-N -1 3 392.463 3.470 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000822649836 606239310 /nfs/dbraw/zinc/23/93/10/606239310.db2.gz KVGGMLASQFRLPN-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000822649836 606239311 /nfs/dbraw/zinc/23/93/11/606239311.db2.gz KVGGMLASQFRLPN-UHFFFAOYSA-N -1 3 392.394 3.176 20 0 GGADHM C[C@@H](Nc1ccc(OC2CCC2)c(F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820456163 606239544 /nfs/dbraw/zinc/23/95/44/606239544.db2.gz QWXOABNEVANFGI-GFCCVEGCSA-N -1 3 396.426 3.376 20 0 GGADHM C[C@@H](Nc1ccc(OC2CCC2)c(F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820456163 606239546 /nfs/dbraw/zinc/23/95/46/606239546.db2.gz QWXOABNEVANFGI-GFCCVEGCSA-N -1 3 396.426 3.376 20 0 GGADHM O=C1[C@H](Nc2ccc(C(F)(F)F)cc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823514413 606244533 /nfs/dbraw/zinc/24/45/33/606244533.db2.gz ZGHHHZAZIXXCBI-GFCCVEGCSA-N -1 3 394.382 3.164 20 0 GGADHM O=C1[C@H](Nc2ccc(C(F)(F)F)cc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823514413 606244534 /nfs/dbraw/zinc/24/45/34/606244534.db2.gz ZGHHHZAZIXXCBI-GFCCVEGCSA-N -1 3 394.382 3.164 20 0 GGADHM O=C1[C@@H](Nc2ccc3c4c(cccc42)CC3)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823511942 606244600 /nfs/dbraw/zinc/24/46/00/606244600.db2.gz JJAVOTRJNWDHGW-FQEVSTJZSA-N -1 3 396.454 3.336 20 0 GGADHM O=C1[C@@H](Nc2ccc3c4c(cccc42)CC3)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823511942 606244601 /nfs/dbraw/zinc/24/46/01/606244601.db2.gz JJAVOTRJNWDHGW-FQEVSTJZSA-N -1 3 396.454 3.336 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000822645956 606245644 /nfs/dbraw/zinc/24/56/44/606245644.db2.gz YHPHVASTLFWKDD-UHFFFAOYSA-N -1 3 378.367 3.389 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000822645956 606245645 /nfs/dbraw/zinc/24/56/45/606245645.db2.gz YHPHVASTLFWKDD-UHFFFAOYSA-N -1 3 378.367 3.389 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)sc2C)s1 ZINC000822214166 606246889 /nfs/dbraw/zinc/24/68/89/606246889.db2.gz RVANZISPDLIZLB-UHFFFAOYSA-N -1 3 385.478 3.259 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)sc2C)s1 ZINC000822214166 606246890 /nfs/dbraw/zinc/24/68/90/606246890.db2.gz RVANZISPDLIZLB-UHFFFAOYSA-N -1 3 385.478 3.259 20 0 GGADHM O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823175292 606251346 /nfs/dbraw/zinc/25/13/46/606251346.db2.gz DXYAQAYPRNAFJT-TYSSJJCSSA-N -1 3 396.454 3.222 20 0 GGADHM O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823175292 606251349 /nfs/dbraw/zinc/25/13/49/606251349.db2.gz DXYAQAYPRNAFJT-TYSSJJCSSA-N -1 3 396.454 3.222 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000823460343 606253421 /nfs/dbraw/zinc/25/34/21/606253421.db2.gz MRUAFSWQGOLFGE-UHFFFAOYSA-N -1 3 376.342 3.018 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000823460343 606253422 /nfs/dbraw/zinc/25/34/22/606253422.db2.gz MRUAFSWQGOLFGE-UHFFFAOYSA-N -1 3 376.342 3.018 20 0 GGADHM COc1cc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1OC1CCCC1 ZINC000821708081 606258434 /nfs/dbraw/zinc/25/84/34/606258434.db2.gz KAJLPSZLPKQXKC-GFCCVEGCSA-N -1 3 396.451 3.016 20 0 GGADHM COc1cc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1OC1CCCC1 ZINC000821708081 606258436 /nfs/dbraw/zinc/25/84/36/606258436.db2.gz KAJLPSZLPKQXKC-GFCCVEGCSA-N -1 3 396.451 3.016 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1OCc1ccccc1 ZINC000821994742 606260646 /nfs/dbraw/zinc/26/06/46/606260646.db2.gz JZWXXALBTUBNHC-CQSZACIVSA-N -1 3 388.431 3.265 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1OCc1ccccc1 ZINC000821994742 606260648 /nfs/dbraw/zinc/26/06/48/606260648.db2.gz JZWXXALBTUBNHC-CQSZACIVSA-N -1 3 388.431 3.265 20 0 GGADHM C/C=C\c1ccc(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000820831676 606263362 /nfs/dbraw/zinc/26/33/62/606263362.db2.gz AUMXERJWKGZTHN-ARJAWSKDSA-N -1 3 383.383 3.065 20 0 GGADHM C/C=C\c1ccc(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000820831676 606263364 /nfs/dbraw/zinc/26/33/64/606263364.db2.gz AUMXERJWKGZTHN-ARJAWSKDSA-N -1 3 383.383 3.065 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1csc(Cc2ccc(F)cc2)n1 ZINC000823346163 606267200 /nfs/dbraw/zinc/26/72/00/606267200.db2.gz KINFJIPXYSICHG-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1csc(Cc2ccc(F)cc2)n1 ZINC000823346163 606267201 /nfs/dbraw/zinc/26/72/01/606267201.db2.gz KINFJIPXYSICHG-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000823346112 606267582 /nfs/dbraw/zinc/26/75/82/606267582.db2.gz IWWQHOAANFQMAA-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000823346112 606267584 /nfs/dbraw/zinc/26/75/84/606267584.db2.gz IWWQHOAANFQMAA-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000821020390 606268285 /nfs/dbraw/zinc/26/82/85/606268285.db2.gz BXROLAMMFRUVLL-ZDUSSCGKSA-N -1 3 378.358 3.485 20 0 GGADHM CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000821020390 606268286 /nfs/dbraw/zinc/26/82/86/606268286.db2.gz BXROLAMMFRUVLL-ZDUSSCGKSA-N -1 3 378.358 3.485 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974672 606270260 /nfs/dbraw/zinc/27/02/60/606270260.db2.gz YFLICNQMBQMBBL-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974672 606270261 /nfs/dbraw/zinc/27/02/61/606270261.db2.gz YFLICNQMBQMBBL-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822418768 606271655 /nfs/dbraw/zinc/27/16/55/606271655.db2.gz FWOVOIFIYHEEKO-SECBINFHSA-N -1 3 397.439 3.257 20 0 GGADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822418768 606271656 /nfs/dbraw/zinc/27/16/56/606271656.db2.gz FWOVOIFIYHEEKO-SECBINFHSA-N -1 3 397.439 3.257 20 0 GGADHM CCC[C@@](C)(O)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821009505 606278169 /nfs/dbraw/zinc/27/81/69/606278169.db2.gz UCKUTZJMIMTCKT-HXUWFJFHSA-N -1 3 397.504 3.299 20 0 GGADHM CCC[C@@](C)(O)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821009505 606278171 /nfs/dbraw/zinc/27/81/71/606278171.db2.gz UCKUTZJMIMTCKT-HXUWFJFHSA-N -1 3 397.504 3.299 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(N(C)C)cc1 ZINC000821118710 606280218 /nfs/dbraw/zinc/28/02/18/606280218.db2.gz PUFBSPSZWQFKOZ-UHFFFAOYSA-N -1 3 393.495 3.326 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1nc2ccccc2o1 ZINC000821118846 606281279 /nfs/dbraw/zinc/28/12/79/606281279.db2.gz SFGQBVWCAKQLOX-UHFFFAOYSA-N -1 3 391.435 3.401 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCOC1 ZINC000820398007 606283663 /nfs/dbraw/zinc/28/36/63/606283663.db2.gz YYLBZKXWELSZRO-HIFRSBDPSA-N -1 3 395.488 3.173 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820398007 606283665 /nfs/dbraw/zinc/28/36/65/606283665.db2.gz YYLBZKXWELSZRO-HIFRSBDPSA-N -1 3 395.488 3.173 20 0 GGADHM O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823254464 606285016 /nfs/dbraw/zinc/28/50/16/606285016.db2.gz VMVGVELTDGALNR-UHFFFAOYSA-N -1 3 396.357 3.195 20 0 GGADHM O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823254464 606285017 /nfs/dbraw/zinc/28/50/17/606285017.db2.gz VMVGVELTDGALNR-UHFFFAOYSA-N -1 3 396.357 3.195 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000822649451 606288310 /nfs/dbraw/zinc/28/83/10/606288310.db2.gz BSPFHRSYDIMREN-UHFFFAOYSA-N -1 3 379.424 3.187 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000822649451 606288312 /nfs/dbraw/zinc/28/83/12/606288312.db2.gz BSPFHRSYDIMREN-UHFFFAOYSA-N -1 3 379.424 3.187 20 0 GGADHM O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823355931 606298510 /nfs/dbraw/zinc/29/85/10/606298510.db2.gz GGUJHACUXZRUTQ-UHFFFAOYSA-N -1 3 388.435 3.438 20 0 GGADHM O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823355931 606298514 /nfs/dbraw/zinc/29/85/14/606298514.db2.gz GGUJHACUXZRUTQ-UHFFFAOYSA-N -1 3 388.435 3.438 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(OC(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641050 606299416 /nfs/dbraw/zinc/29/94/16/606299416.db2.gz VJLUQMADICLUEX-KUHUBIRLSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1cccc(OC(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641050 606299417 /nfs/dbraw/zinc/29/94/17/606299417.db2.gz VJLUQMADICLUEX-KUHUBIRLSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@H](NC[C@H](c1ccccc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642395 606299726 /nfs/dbraw/zinc/29/97/26/606299726.db2.gz IOOMYSLSNUWBOF-RBUKOAKNSA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@H](NC[C@H](c1ccccc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642395 606299728 /nfs/dbraw/zinc/29/97/28/606299728.db2.gz IOOMYSLSNUWBOF-RBUKOAKNSA-N -1 3 379.464 3.110 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641292 606301636 /nfs/dbraw/zinc/30/16/36/606301636.db2.gz ZOLOWQJTYWFXOU-AUUYWEPGSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641292 606301638 /nfs/dbraw/zinc/30/16/38/606301638.db2.gz ZOLOWQJTYWFXOU-AUUYWEPGSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821642391 606303142 /nfs/dbraw/zinc/30/31/42/606303142.db2.gz IOLJXOLRTNOTEU-IRXDYDNUSA-N -1 3 383.839 3.011 20 0 GGADHM COC(=O)[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821642391 606303144 /nfs/dbraw/zinc/30/31/44/606303144.db2.gz IOLJXOLRTNOTEU-IRXDYDNUSA-N -1 3 383.839 3.011 20 0 GGADHM COC(=O)[C@H](NCc1cccc(Cl)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821644716 606304006 /nfs/dbraw/zinc/30/40/06/606304006.db2.gz HEVQKSFUMMZHGE-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCc1cccc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821644716 606304008 /nfs/dbraw/zinc/30/40/08/606304008.db2.gz HEVQKSFUMMZHGE-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@@H](NCC1CCC(C(F)(F)F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642681 606309482 /nfs/dbraw/zinc/30/94/82/606309482.db2.gz NFKBPOLONGOPPV-KWCHVYNWSA-N -1 3 397.401 3.039 20 0 GGADHM COC(=O)[C@@H](NCC1CCC(C(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642681 606309484 /nfs/dbraw/zinc/30/94/84/606309484.db2.gz NFKBPOLONGOPPV-KWCHVYNWSA-N -1 3 397.401 3.039 20 0 GGADHM CS/C=C/C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821955999 606310753 /nfs/dbraw/zinc/31/07/53/606310753.db2.gz DVKTXWABIVFDOF-MDZDMXLPSA-N -1 3 383.452 3.411 20 0 GGADHM CS/C=C/C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000821955999 606310754 /nfs/dbraw/zinc/31/07/54/606310754.db2.gz DVKTXWABIVFDOF-MDZDMXLPSA-N -1 3 383.452 3.411 20 0 GGADHM O=C1[C@H](Sc2ccc3c(c2)CCC3)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512150 606311402 /nfs/dbraw/zinc/31/14/02/606311402.db2.gz LKNGGCYXCHHXHT-OAHLLOKOSA-N -1 3 383.502 3.315 20 0 GGADHM O=C1[C@H](Sc2ccc3c(c2)CCC3)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512150 606311403 /nfs/dbraw/zinc/31/14/03/606311403.db2.gz LKNGGCYXCHHXHT-OAHLLOKOSA-N -1 3 383.502 3.315 20 0 GGADHM O=C1[C@H](SCCCc2ccccc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512680 606312841 /nfs/dbraw/zinc/31/28/41/606312841.db2.gz QPDXWNFTDVUFMB-OAHLLOKOSA-N -1 3 385.518 3.400 20 0 GGADHM O=C1[C@H](SCCCc2ccccc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512680 606312843 /nfs/dbraw/zinc/31/28/43/606312843.db2.gz QPDXWNFTDVUFMB-OAHLLOKOSA-N -1 3 385.518 3.400 20 0 GGADHM Cc1nc(Cl)sc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000822449548 606317276 /nfs/dbraw/zinc/31/72/76/606317276.db2.gz DFRJPMRKGICQBZ-UHFFFAOYSA-N -1 3 378.845 3.325 20 0 GGADHM Cc1nc(Cl)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000822449548 606317277 /nfs/dbraw/zinc/31/72/77/606317277.db2.gz DFRJPMRKGICQBZ-UHFFFAOYSA-N -1 3 378.845 3.325 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821828572 606321747 /nfs/dbraw/zinc/32/17/47/606321747.db2.gz YKGIWDASZVRNTE-UHFFFAOYSA-N -1 3 380.433 3.112 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821828572 606321749 /nfs/dbraw/zinc/32/17/49/606321749.db2.gz YKGIWDASZVRNTE-UHFFFAOYSA-N -1 3 380.433 3.112 20 0 GGADHM C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820804558 606322976 /nfs/dbraw/zinc/32/29/76/606322976.db2.gz UWXLSUYYVWSNQI-ZIAGYGMSSA-N -1 3 395.488 3.267 20 0 GGADHM C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820804558 606322978 /nfs/dbraw/zinc/32/29/78/606322978.db2.gz UWXLSUYYVWSNQI-ZIAGYGMSSA-N -1 3 395.488 3.267 20 0 GGADHM COc1ccc(OC)c(NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821842558 606324364 /nfs/dbraw/zinc/32/43/64/606324364.db2.gz RQDBHKLOKZDXMW-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM COc1ccc(OC)c(NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821842558 606324366 /nfs/dbraw/zinc/32/43/66/606324366.db2.gz RQDBHKLOKZDXMW-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821453486 606325287 /nfs/dbraw/zinc/32/52/87/606325287.db2.gz AIISDARUQYAJIN-USXIJHARSA-N -1 3 389.525 3.061 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821453486 606325289 /nfs/dbraw/zinc/32/52/89/606325289.db2.gz AIISDARUQYAJIN-USXIJHARSA-N -1 3 389.525 3.061 20 0 GGADHM C[C@@]1(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820618971 606326262 /nfs/dbraw/zinc/32/62/62/606326262.db2.gz VBWRQGDRQXEMPZ-UGKGYDQZSA-N -1 3 391.475 3.205 20 0 GGADHM C[C@@]1(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820618971 606326263 /nfs/dbraw/zinc/32/62/63/606326263.db2.gz VBWRQGDRQXEMPZ-UGKGYDQZSA-N -1 3 391.475 3.205 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821358039 606329782 /nfs/dbraw/zinc/32/97/82/606329782.db2.gz HAQFYQACTKKSNV-ZWKOTPCHSA-N -1 3 398.511 3.136 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821358039 606329784 /nfs/dbraw/zinc/32/97/84/606329784.db2.gz HAQFYQACTKKSNV-ZWKOTPCHSA-N -1 3 398.511 3.136 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000821358038 606330089 /nfs/dbraw/zinc/33/00/89/606330089.db2.gz HAQFYQACTKKSNV-ROUUACIJSA-N -1 3 398.511 3.136 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000821358038 606330091 /nfs/dbraw/zinc/33/00/91/606330091.db2.gz HAQFYQACTKKSNV-ROUUACIJSA-N -1 3 398.511 3.136 20 0 GGADHM O=S(=O)(CCSCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561149 606335099 /nfs/dbraw/zinc/33/50/99/606335099.db2.gz AGYVVMUNWRTNJX-UHFFFAOYSA-N -1 3 394.909 3.227 20 0 GGADHM O=S(=O)(CCSCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561149 606335100 /nfs/dbraw/zinc/33/51/00/606335100.db2.gz AGYVVMUNWRTNJX-UHFFFAOYSA-N -1 3 394.909 3.227 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820938291 606335405 /nfs/dbraw/zinc/33/54/05/606335405.db2.gz IAXKCQCYVBWUAI-LBPRGKRZSA-N -1 3 375.429 3.480 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820938291 606335407 /nfs/dbraw/zinc/33/54/07/606335407.db2.gz IAXKCQCYVBWUAI-LBPRGKRZSA-N -1 3 375.429 3.480 20 0 GGADHM O=C(Cc1coc2cc(F)ccc12)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823118512 606336730 /nfs/dbraw/zinc/33/67/30/606336730.db2.gz CBUCNZFRUDZHNQ-UHFFFAOYSA-N -1 3 383.408 3.483 20 0 GGADHM O=C(Cc1coc2cc(F)ccc12)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823118512 606336731 /nfs/dbraw/zinc/33/67/31/606336731.db2.gz CBUCNZFRUDZHNQ-UHFFFAOYSA-N -1 3 383.408 3.483 20 0 GGADHM O=S(=O)(Cc1ccccc1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823567070 606336780 /nfs/dbraw/zinc/33/67/80/606336780.db2.gz OPIWTTKJZZVHSJ-UHFFFAOYSA-N -1 3 392.440 3.443 20 0 GGADHM O=S(=O)(Cc1ccccc1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823567070 606336781 /nfs/dbraw/zinc/33/67/81/606336781.db2.gz OPIWTTKJZZVHSJ-UHFFFAOYSA-N -1 3 392.440 3.443 20 0 GGADHM Cc1nccc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000822471858 606338038 /nfs/dbraw/zinc/33/80/38/606338038.db2.gz LHKLDRXKXPFSOS-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1nccc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000822471858 606338041 /nfs/dbraw/zinc/33/80/41/606338041.db2.gz LHKLDRXKXPFSOS-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM O=C(Nc1cccnn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823373261 606338239 /nfs/dbraw/zinc/33/82/39/606338239.db2.gz VEMNYFBHKYQZPW-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM O=C(Nc1cccnn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823373261 606338241 /nfs/dbraw/zinc/33/82/41/606338241.db2.gz VEMNYFBHKYQZPW-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM c1sc(CCc2ccccc2)nc1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000823779322 606339746 /nfs/dbraw/zinc/33/97/46/606339746.db2.gz AJCQNOMAXGEVON-UHFFFAOYSA-N -1 3 376.489 3.398 20 0 GGADHM CCC[C@](C)(CO)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821008823 606344090 /nfs/dbraw/zinc/34/40/90/606344090.db2.gz LZBSTFWPRHSFIQ-HXUWFJFHSA-N -1 3 396.451 3.332 20 0 GGADHM CCC[C@](C)(CO)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821008823 606344091 /nfs/dbraw/zinc/34/40/91/606344091.db2.gz LZBSTFWPRHSFIQ-HXUWFJFHSA-N -1 3 396.451 3.332 20 0 GGADHM COc1ccccc1CN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000821889578 606346156 /nfs/dbraw/zinc/34/61/56/606346156.db2.gz CVMUBQJOCBODFS-UHFFFAOYSA-N -1 3 382.399 3.211 20 0 GGADHM COc1ccccc1CN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC000821889578 606346157 /nfs/dbraw/zinc/34/61/57/606346157.db2.gz CVMUBQJOCBODFS-UHFFFAOYSA-N -1 3 382.399 3.211 20 0 GGADHM C[C@H](OC(=O)c1cnnn1-c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519219 606348042 /nfs/dbraw/zinc/34/80/42/606348042.db2.gz QOTFFMLQXKPIET-NSHDSACASA-N -1 3 395.810 3.019 20 0 GGADHM C[C@H](OC(=O)c1cnnn1-c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519219 606348043 /nfs/dbraw/zinc/34/80/43/606348043.db2.gz QOTFFMLQXKPIET-NSHDSACASA-N -1 3 395.810 3.019 20 0 GGADHM C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513264 606349927 /nfs/dbraw/zinc/34/99/27/606349927.db2.gz YOPYNRNDQAKBTR-GFCCVEGCSA-N -1 3 377.404 3.133 20 0 GGADHM C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513264 606349928 /nfs/dbraw/zinc/34/99/28/606349928.db2.gz YOPYNRNDQAKBTR-GFCCVEGCSA-N -1 3 377.404 3.133 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512668 606350044 /nfs/dbraw/zinc/35/00/44/606350044.db2.gz MURGHORJSSXXBT-KUHUBIRLSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512668 606350046 /nfs/dbraw/zinc/35/00/46/606350046.db2.gz MURGHORJSSXXBT-KUHUBIRLSA-N -1 3 394.431 3.343 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)co2)cc1 ZINC000822214072 606352640 /nfs/dbraw/zinc/35/26/40/606352640.db2.gz NWYPQTZJZKLQJX-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)co2)cc1 ZINC000822214072 606352641 /nfs/dbraw/zinc/35/26/41/606352641.db2.gz NWYPQTZJZKLQJX-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM COc1cccc(CO[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821868699 606353329 /nfs/dbraw/zinc/35/33/29/606353329.db2.gz UUMQYUYBYDIDHV-KGLIPLIRSA-N -1 3 382.420 3.085 20 0 GGADHM COc1cccc(CO[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821868699 606353331 /nfs/dbraw/zinc/35/33/31/606353331.db2.gz UUMQYUYBYDIDHV-KGLIPLIRSA-N -1 3 382.420 3.085 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820270287 606356746 /nfs/dbraw/zinc/35/67/46/606356746.db2.gz ZIPMXLYGQXYSNX-VIFPVBQESA-N -1 3 376.342 3.209 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820270287 606356747 /nfs/dbraw/zinc/35/67/47/606356747.db2.gz ZIPMXLYGQXYSNX-VIFPVBQESA-N -1 3 376.342 3.209 20 0 GGADHM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488531 606357680 /nfs/dbraw/zinc/35/76/80/606357680.db2.gz OZVQNVWVVKTNAX-AFAVFJNCSA-N -1 3 392.415 3.046 20 0 GGADHM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488531 606357682 /nfs/dbraw/zinc/35/76/82/606357682.db2.gz OZVQNVWVVKTNAX-AFAVFJNCSA-N -1 3 392.415 3.046 20 0 GGADHM CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821589647 606357751 /nfs/dbraw/zinc/35/77/51/606357751.db2.gz XFOCMIVLXJYHMT-GOSISDBHSA-N -1 3 395.442 3.441 20 0 GGADHM CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821589647 606357754 /nfs/dbraw/zinc/35/77/54/606357754.db2.gz XFOCMIVLXJYHMT-GOSISDBHSA-N -1 3 395.442 3.441 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511753 606358442 /nfs/dbraw/zinc/35/84/42/606358442.db2.gz CMPAWIFQMWLBKX-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511753 606358443 /nfs/dbraw/zinc/35/84/43/606358443.db2.gz CMPAWIFQMWLBKX-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM C[C@H](OC(=O)[C@@H]1C[C@@]12CCOc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488037 606359375 /nfs/dbraw/zinc/35/93/75/606359375.db2.gz KMANPSHZAHSKBL-IBNJYYFUSA-N -1 3 376.416 3.211 20 0 GGADHM C[C@H](OC(=O)[C@@H]1C[C@@]12CCOc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488037 606359377 /nfs/dbraw/zinc/35/93/77/606359377.db2.gz KMANPSHZAHSKBL-IBNJYYFUSA-N -1 3 376.416 3.211 20 0 GGADHM CC1(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCOCC1 ZINC000820576905 606360755 /nfs/dbraw/zinc/36/07/55/606360755.db2.gz BVJMRFPJDWTNIZ-UHFFFAOYSA-N -1 3 380.404 3.381 20 0 GGADHM CC1(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCOCC1 ZINC000820576905 606360757 /nfs/dbraw/zinc/36/07/57/606360757.db2.gz BVJMRFPJDWTNIZ-UHFFFAOYSA-N -1 3 380.404 3.381 20 0 GGADHM Cc1cnn(CCC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822402531 606361140 /nfs/dbraw/zinc/36/11/40/606361140.db2.gz DAXDVCXFZQFRHW-UHFFFAOYSA-N -1 3 390.403 3.160 20 0 GGADHM COc1ccnc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000821903933 606361264 /nfs/dbraw/zinc/36/12/64/606361264.db2.gz OCOXXPBPGSTODX-UHFFFAOYSA-N -1 3 389.371 3.282 20 0 GGADHM O=C(CC1CCOCC1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822945686 606361663 /nfs/dbraw/zinc/36/16/63/606361663.db2.gz NRZFICJPOVXMFK-UHFFFAOYSA-N -1 3 380.404 3.381 20 0 GGADHM O=C(CC1CCOCC1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822945686 606361664 /nfs/dbraw/zinc/36/16/64/606361664.db2.gz NRZFICJPOVXMFK-UHFFFAOYSA-N -1 3 380.404 3.381 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Oc2ccccc2)o1 ZINC000823242283 606363491 /nfs/dbraw/zinc/36/34/91/606363491.db2.gz TVTMIUDEGXQDMZ-UHFFFAOYSA-N -1 3 379.351 3.321 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Oc2ccccc2)o1 ZINC000823242283 606363493 /nfs/dbraw/zinc/36/34/93/606363493.db2.gz TVTMIUDEGXQDMZ-UHFFFAOYSA-N -1 3 379.351 3.321 20 0 GGADHM O=C(N[C@H]1CCCSC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823151106 606365280 /nfs/dbraw/zinc/36/52/80/606365280.db2.gz WWMTZDZQCAVYBV-HNNXBMFYSA-N -1 3 381.461 3.284 20 0 GGADHM O=C(N[C@H]1CCCSC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823151106 606365281 /nfs/dbraw/zinc/36/52/81/606365281.db2.gz WWMTZDZQCAVYBV-HNNXBMFYSA-N -1 3 381.461 3.284 20 0 GGADHM COC(=O)[C@H](OC(=O)c1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000821650485 606368957 /nfs/dbraw/zinc/36/89/57/606368957.db2.gz SJOHYCOELVAMGD-MRXNPFEDSA-N -1 3 394.412 3.153 20 0 GGADHM COC(=O)[C@H](OC(=O)c1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000821650485 606368959 /nfs/dbraw/zinc/36/89/59/606368959.db2.gz SJOHYCOELVAMGD-MRXNPFEDSA-N -1 3 394.412 3.153 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ncccn3)c2-c2nnn[n-]2)C1 ZINC000819907047 606371432 /nfs/dbraw/zinc/37/14/32/606371432.db2.gz LNQVBRBMTWNBGV-JTQLQIEISA-N -1 3 383.481 3.122 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ncccn3)c2-c2nn[n-]n2)C1 ZINC000819907047 606371434 /nfs/dbraw/zinc/37/14/34/606371434.db2.gz LNQVBRBMTWNBGV-JTQLQIEISA-N -1 3 383.481 3.122 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000821765654 606372816 /nfs/dbraw/zinc/37/28/16/606372816.db2.gz IQARLPDVTFGUSV-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000821765654 606372817 /nfs/dbraw/zinc/37/28/17/606372817.db2.gz IQARLPDVTFGUSV-UHFFFAOYSA-N -1 3 395.753 3.382 20 0 GGADHM CC(C)CC(=O)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820051046 606374442 /nfs/dbraw/zinc/37/44/42/606374442.db2.gz JRZKROMTGPLHST-UHFFFAOYSA-N -1 3 380.404 3.431 20 0 GGADHM CC(C)CC(=O)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820051046 606374445 /nfs/dbraw/zinc/37/44/45/606374445.db2.gz JRZKROMTGPLHST-UHFFFAOYSA-N -1 3 380.404 3.431 20 0 GGADHM COC(=O)[C@@H](OC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646947 606378457 /nfs/dbraw/zinc/37/84/57/606378457.db2.gz RBVYSKRYQAAJFU-GSXXRBPTSA-N -1 3 392.415 3.118 20 0 GGADHM COC(=O)[C@@H](OC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646947 606378458 /nfs/dbraw/zinc/37/84/58/606378458.db2.gz RBVYSKRYQAAJFU-GSXXRBPTSA-N -1 3 392.415 3.118 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CC12CCOCC2 ZINC000823356260 606379456 /nfs/dbraw/zinc/37/94/56/606379456.db2.gz KHFABBKIHNONPK-QGZVFWFLSA-N -1 3 391.431 3.414 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CC12CCOCC2 ZINC000823356260 606379457 /nfs/dbraw/zinc/37/94/57/606379457.db2.gz KHFABBKIHNONPK-QGZVFWFLSA-N -1 3 391.431 3.414 20 0 GGADHM O=C(CCOCC1CC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822974697 606382045 /nfs/dbraw/zinc/38/20/45/606382045.db2.gz ZDULWYZACNZQPL-UHFFFAOYSA-N -1 3 378.432 3.394 20 0 GGADHM O=C(CCOCC1CC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822974697 606382047 /nfs/dbraw/zinc/38/20/47/606382047.db2.gz ZDULWYZACNZQPL-UHFFFAOYSA-N -1 3 378.432 3.394 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)N[C@H]1CCCSC1 ZINC000823355441 606383062 /nfs/dbraw/zinc/38/30/62/606383062.db2.gz CKZZKBYAKMWJSK-AWEZNQCLSA-N -1 3 397.464 3.071 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)N[C@H]1CCCSC1 ZINC000823355441 606383064 /nfs/dbraw/zinc/38/30/64/606383064.db2.gz CKZZKBYAKMWJSK-AWEZNQCLSA-N -1 3 397.464 3.071 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000822658949 606390925 /nfs/dbraw/zinc/39/09/25/606390925.db2.gz AZYYMJCSJYQKCO-UHFFFAOYSA-N -1 3 393.447 3.293 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000822658949 606390928 /nfs/dbraw/zinc/39/09/28/606390928.db2.gz AZYYMJCSJYQKCO-UHFFFAOYSA-N -1 3 393.447 3.293 20 0 GGADHM CC[C@@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820909122 606392252 /nfs/dbraw/zinc/39/22/52/606392252.db2.gz UHMYLXZEQZQTIC-LBPRGKRZSA-N -1 3 386.456 3.150 20 0 GGADHM CC[C@@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820909122 606392253 /nfs/dbraw/zinc/39/22/53/606392253.db2.gz UHMYLXZEQZQTIC-LBPRGKRZSA-N -1 3 386.456 3.150 20 0 GGADHM CC(=O)CSCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000819782011 606398582 /nfs/dbraw/zinc/39/85/82/606398582.db2.gz HJPUETKEKUYUAL-UHFFFAOYSA-N -1 3 390.513 3.051 20 0 GGADHM CC(=O)CSCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000819782011 606398583 /nfs/dbraw/zinc/39/85/83/606398583.db2.gz HJPUETKEKUYUAL-UHFFFAOYSA-N -1 3 390.513 3.051 20 0 GGADHM Cc1ccnc(N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)n1 ZINC000822373817 606399653 /nfs/dbraw/zinc/39/96/53/606399653.db2.gz CZCOUIAECAXEIP-UHFFFAOYSA-N -1 3 375.411 3.311 20 0 GGADHM Cc1ccnc(N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)n1 ZINC000822373817 606399655 /nfs/dbraw/zinc/39/96/55/606399655.db2.gz CZCOUIAECAXEIP-UHFFFAOYSA-N -1 3 375.411 3.311 20 0 GGADHM Cc1cccc2ncnc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)c12 ZINC000822340788 606401375 /nfs/dbraw/zinc/40/13/75/606401375.db2.gz HXRGBYSVZRKODY-UHFFFAOYSA-N -1 3 387.447 3.166 20 0 GGADHM O=C(NC[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1)c1ccccc1 ZINC000823176298 606403197 /nfs/dbraw/zinc/40/31/97/606403197.db2.gz REKPFLYHGLCKFE-CQSZACIVSA-N -1 3 396.882 3.167 20 0 GGADHM O=C(NC[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1)c1ccccc1 ZINC000823176298 606403199 /nfs/dbraw/zinc/40/31/99/606403199.db2.gz REKPFLYHGLCKFE-CQSZACIVSA-N -1 3 396.882 3.167 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCCCC2)no1 ZINC000820372944 606435655 /nfs/dbraw/zinc/43/56/55/606435655.db2.gz DWPWZQYGTXCZMG-NSHDSACASA-N -1 3 382.428 3.180 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CCCCC2)no1 ZINC000820372944 606435656 /nfs/dbraw/zinc/43/56/56/606435656.db2.gz DWPWZQYGTXCZMG-NSHDSACASA-N -1 3 382.428 3.180 20 0 GGADHM O=C(OCC[C@H]1CCCO1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823401109 606437851 /nfs/dbraw/zinc/43/78/51/606437851.db2.gz OYIOEBLJZAOZTN-GOSISDBHSA-N -1 3 394.431 3.172 20 0 GGADHM O=C(OCC[C@H]1CCCO1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823401109 606437853 /nfs/dbraw/zinc/43/78/53/606437853.db2.gz OYIOEBLJZAOZTN-GOSISDBHSA-N -1 3 394.431 3.172 20 0 GGADHM O=C(OCC[C@@H]1CCCO1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823401110 606437974 /nfs/dbraw/zinc/43/79/74/606437974.db2.gz OYIOEBLJZAOZTN-SFHVURJKSA-N -1 3 394.431 3.172 20 0 GGADHM O=C(OCC[C@@H]1CCCO1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823401110 606437976 /nfs/dbraw/zinc/43/79/76/606437976.db2.gz OYIOEBLJZAOZTN-SFHVURJKSA-N -1 3 394.431 3.172 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1C ZINC000820908941 606439953 /nfs/dbraw/zinc/43/99/53/606439953.db2.gz RYPRHCGMQWCLQK-YJBOKZPZSA-N -1 3 394.479 3.393 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1C ZINC000820908941 606439956 /nfs/dbraw/zinc/43/99/56/606439956.db2.gz RYPRHCGMQWCLQK-YJBOKZPZSA-N -1 3 394.479 3.393 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1C ZINC000820908939 606440214 /nfs/dbraw/zinc/44/02/14/606440214.db2.gz RYPRHCGMQWCLQK-MAUKXSAKSA-N -1 3 394.479 3.393 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1C ZINC000820908939 606440215 /nfs/dbraw/zinc/44/02/15/606440215.db2.gz RYPRHCGMQWCLQK-MAUKXSAKSA-N -1 3 394.479 3.393 20 0 GGADHM CC[C@@H](CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1C ZINC000820908076 606443281 /nfs/dbraw/zinc/44/32/81/606443281.db2.gz JDJYFDXVXGDQNB-SFHVURJKSA-N -1 3 394.479 3.174 20 0 GGADHM CC[C@@H](CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1C ZINC000820908076 606443283 /nfs/dbraw/zinc/44/32/83/606443283.db2.gz JDJYFDXVXGDQNB-SFHVURJKSA-N -1 3 394.479 3.174 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000820541388 606444164 /nfs/dbraw/zinc/44/41/64/606444164.db2.gz FGOSYIVLCFEAHQ-GHMZBOCLSA-N -1 3 389.818 3.304 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000820541388 606444166 /nfs/dbraw/zinc/44/41/66/606444166.db2.gz FGOSYIVLCFEAHQ-GHMZBOCLSA-N -1 3 389.818 3.304 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000820541391 606444392 /nfs/dbraw/zinc/44/43/92/606444392.db2.gz FGOSYIVLCFEAHQ-QWRGUYRKSA-N -1 3 389.818 3.304 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000820541391 606444393 /nfs/dbraw/zinc/44/43/93/606444393.db2.gz FGOSYIVLCFEAHQ-QWRGUYRKSA-N -1 3 389.818 3.304 20 0 GGADHM CCC[C@H]1C[C@@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821034589 606445038 /nfs/dbraw/zinc/44/50/38/606445038.db2.gz PMFPEFUBBWLKFI-LPHOPBHVSA-N -1 3 377.448 3.364 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H]3c3cccnc3)c2c1 ZINC000822753240 606445118 /nfs/dbraw/zinc/44/51/18/606445118.db2.gz KDNIKXYGZLBBNI-INIZCTEOSA-N -1 3 379.374 3.430 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H]3c3cccnc3)c2c1 ZINC000822753240 606445119 /nfs/dbraw/zinc/44/51/19/606445119.db2.gz KDNIKXYGZLBBNI-INIZCTEOSA-N -1 3 379.374 3.430 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H]1C ZINC000820715238 606445768 /nfs/dbraw/zinc/44/57/68/606445768.db2.gz ABMIVGDNEPFSNC-HUUCEWRRSA-N -1 3 377.448 3.316 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)[C@@H]1C ZINC000820715238 606445770 /nfs/dbraw/zinc/44/57/70/606445770.db2.gz ABMIVGDNEPFSNC-HUUCEWRRSA-N -1 3 377.448 3.316 20 0 GGADHM c1nnnn1-c1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000823766900 606446370 /nfs/dbraw/zinc/44/63/70/606446370.db2.gz LJKZASKIVAAWEA-UHFFFAOYSA-N -1 3 395.430 3.122 20 0 GGADHM c1nnnn1-c1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000823766900 606446372 /nfs/dbraw/zinc/44/63/72/606446372.db2.gz LJKZASKIVAAWEA-UHFFFAOYSA-N -1 3 395.430 3.122 20 0 GGADHM OC[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)Cc1ccccc1 ZINC000823705046 606452444 /nfs/dbraw/zinc/45/24/44/606452444.db2.gz DNXUXTPPIOZPTM-ZDUSSCGKSA-N -1 3 377.370 3.149 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCNc1ccc(C(F)(F)F)cn1 ZINC000822748269 606452883 /nfs/dbraw/zinc/45/28/83/606452883.db2.gz QGSJXYZTWKTKMG-UHFFFAOYSA-N -1 3 381.337 3.334 20 0 GGADHM NC(=O)c1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1F ZINC000822884844 606455874 /nfs/dbraw/zinc/45/58/74/606455874.db2.gz ASSLSCRAXVKJGF-UHFFFAOYSA-N -1 3 388.406 3.384 20 0 GGADHM NC(=O)c1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1F ZINC000822884844 606455876 /nfs/dbraw/zinc/45/58/76/606455876.db2.gz ASSLSCRAXVKJGF-UHFFFAOYSA-N -1 3 388.406 3.384 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000819939641 606458365 /nfs/dbraw/zinc/45/83/65/606458365.db2.gz HLSNZZAOSPCRJT-GFCCVEGCSA-N -1 3 378.864 3.014 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000819939641 606458366 /nfs/dbraw/zinc/45/83/66/606458366.db2.gz HLSNZZAOSPCRJT-GFCCVEGCSA-N -1 3 378.864 3.014 20 0 GGADHM O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440569 606466083 /nfs/dbraw/zinc/46/60/83/606466083.db2.gz ZUQLHWPSTTZBNI-UHFFFAOYSA-N -1 3 395.231 3.240 20 0 GGADHM O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440569 606466084 /nfs/dbraw/zinc/46/60/84/606466084.db2.gz ZUQLHWPSTTZBNI-UHFFFAOYSA-N -1 3 395.231 3.240 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819946449 606466279 /nfs/dbraw/zinc/46/62/79/606466279.db2.gz KMWSKJWFOZWCIR-UHFFFAOYSA-N -1 3 387.421 3.494 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819946449 606466281 /nfs/dbraw/zinc/46/62/81/606466281.db2.gz KMWSKJWFOZWCIR-UHFFFAOYSA-N -1 3 387.421 3.494 20 0 GGADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N(CC1CCC1)c1ccccc1 ZINC000823600559 606474266 /nfs/dbraw/zinc/47/42/66/606474266.db2.gz IMNRJHPIUKPHSL-UHFFFAOYSA-N -1 3 387.440 3.001 20 0 GGADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820819826 606478134 /nfs/dbraw/zinc/47/81/34/606478134.db2.gz LHPHVDVTSRQNRM-QMMMGPOBSA-N -1 3 377.235 3.261 20 0 GGADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820819826 606478136 /nfs/dbraw/zinc/47/81/36/606478136.db2.gz LHPHVDVTSRQNRM-QMMMGPOBSA-N -1 3 377.235 3.261 20 0 GGADHM CCOc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OCC ZINC000821418202 606479743 /nfs/dbraw/zinc/47/97/43/606479743.db2.gz XSWWZTGBGLMFIS-LLVKDONJSA-N -1 3 387.465 3.217 20 0 GGADHM CCOc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OCC ZINC000821418202 606479745 /nfs/dbraw/zinc/47/97/45/606479745.db2.gz XSWWZTGBGLMFIS-LLVKDONJSA-N -1 3 387.465 3.217 20 0 GGADHM CN(Cc1ccc(F)c(F)c1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821611164 606481963 /nfs/dbraw/zinc/48/19/63/606481963.db2.gz STUDLTVZJJYUHK-UHFFFAOYSA-N -1 3 381.333 3.378 20 0 GGADHM CN(Cc1ccc(F)c(F)c1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821611164 606481965 /nfs/dbraw/zinc/48/19/65/606481965.db2.gz STUDLTVZJJYUHK-UHFFFAOYSA-N -1 3 381.333 3.378 20 0 GGADHM C[C@@H]1c2ccccc2OCCN1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820826122 606486913 /nfs/dbraw/zinc/48/69/13/606486913.db2.gz JNABGBGWZYVBKC-GFCCVEGCSA-N -1 3 387.390 3.424 20 0 GGADHM C[C@@H]1c2ccccc2OCCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820826122 606486915 /nfs/dbraw/zinc/48/69/15/606486915.db2.gz JNABGBGWZYVBKC-GFCCVEGCSA-N -1 3 387.390 3.424 20 0 GGADHM Cn1ccnc1Sc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822699015 606487587 /nfs/dbraw/zinc/48/75/87/606487587.db2.gz LKJMZTZNXSRPIR-UHFFFAOYSA-N -1 3 383.462 3.065 20 0 GGADHM Cn1ccnc1Sc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822699015 606487590 /nfs/dbraw/zinc/48/75/90/606487590.db2.gz LKJMZTZNXSRPIR-UHFFFAOYSA-N -1 3 383.462 3.065 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(Cl)c(Cl)cc1OC ZINC000821699477 606491510 /nfs/dbraw/zinc/49/15/10/606491510.db2.gz REBVREDHNRJJCJ-UHFFFAOYSA-N -1 3 395.202 3.410 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(Cl)c(Cl)cc1OC ZINC000821699477 606491512 /nfs/dbraw/zinc/49/15/12/606491512.db2.gz REBVREDHNRJJCJ-UHFFFAOYSA-N -1 3 395.202 3.410 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821416960 606496600 /nfs/dbraw/zinc/49/66/00/606496600.db2.gz GGJPABOZRXDRNA-LJQANCHMSA-N -1 3 377.448 3.172 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821416960 606496603 /nfs/dbraw/zinc/49/66/03/606496603.db2.gz GGJPABOZRXDRNA-LJQANCHMSA-N -1 3 377.448 3.172 20 0 GGADHM CC1CCN(c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000820727704 606496805 /nfs/dbraw/zinc/49/68/05/606496805.db2.gz NYRPAZPXRGFURD-UHFFFAOYSA-N -1 3 376.464 3.284 20 0 GGADHM CC1CCN(c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000820727704 606496807 /nfs/dbraw/zinc/49/68/07/606496807.db2.gz NYRPAZPXRGFURD-UHFFFAOYSA-N -1 3 376.464 3.284 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000822419689 606499170 /nfs/dbraw/zinc/49/91/70/606499170.db2.gz SIKGSNFVVOSIRI-UHFFFAOYSA-N -1 3 390.472 3.158 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000822419689 606499173 /nfs/dbraw/zinc/49/91/73/606499173.db2.gz SIKGSNFVVOSIRI-UHFFFAOYSA-N -1 3 390.472 3.158 20 0 GGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821383343 606507536 /nfs/dbraw/zinc/50/75/36/606507536.db2.gz DSAVZFIIZMECJE-UHFFFAOYSA-N -1 3 393.856 3.249 20 0 GGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821383343 606507538 /nfs/dbraw/zinc/50/75/38/606507538.db2.gz DSAVZFIIZMECJE-UHFFFAOYSA-N -1 3 393.856 3.249 20 0 GGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821694329 606507914 /nfs/dbraw/zinc/50/79/14/606507914.db2.gz IPCVNAXKNGSHRH-LLVKDONJSA-N -1 3 389.506 3.158 20 0 GGADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821694329 606507915 /nfs/dbraw/zinc/50/79/15/606507915.db2.gz IPCVNAXKNGSHRH-LLVKDONJSA-N -1 3 389.506 3.158 20 0 GGADHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350651 606508527 /nfs/dbraw/zinc/50/85/27/606508527.db2.gz VQTXKPPVASASLK-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350651 606508528 /nfs/dbraw/zinc/50/85/28/606508528.db2.gz VQTXKPPVASASLK-UHFFFAOYSA-N -1 3 378.417 3.155 20 0 GGADHM COc1cc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000821708679 606508884 /nfs/dbraw/zinc/50/88/84/606508884.db2.gz WARWAPVVUKALLM-CQSZACIVSA-N -1 3 395.463 3.082 20 0 GGADHM COc1cc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000821708679 606508885 /nfs/dbraw/zinc/50/88/85/606508885.db2.gz WARWAPVVUKALLM-CQSZACIVSA-N -1 3 395.463 3.082 20 0 GGADHM Cc1cc(Br)cc(C)c1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822159714 606513471 /nfs/dbraw/zinc/51/34/71/606513471.db2.gz CNJJYTXTFSWMGG-UHFFFAOYSA-N -1 3 386.253 3.427 20 0 GGADHM Cc1cc(Br)cc(C)c1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822159714 606513472 /nfs/dbraw/zinc/51/34/72/606513472.db2.gz CNJJYTXTFSWMGG-UHFFFAOYSA-N -1 3 386.253 3.427 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821679285 606514509 /nfs/dbraw/zinc/51/45/09/606514509.db2.gz ZHSAZVRJYFIKPE-YMTOWFKASA-N -1 3 377.857 3.088 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821679285 606514510 /nfs/dbraw/zinc/51/45/10/606514510.db2.gz ZHSAZVRJYFIKPE-YMTOWFKASA-N -1 3 377.857 3.088 20 0 GGADHM COc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cn2)cc1 ZINC000821846185 606517827 /nfs/dbraw/zinc/51/78/27/606517827.db2.gz NXDATOCDHSMFQC-UHFFFAOYSA-N -1 3 394.416 3.376 20 0 GGADHM COc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cn2)cc1 ZINC000821846185 606517829 /nfs/dbraw/zinc/51/78/29/606517829.db2.gz NXDATOCDHSMFQC-UHFFFAOYSA-N -1 3 394.416 3.376 20 0 GGADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000821649697 606524306 /nfs/dbraw/zinc/52/43/06/606524306.db2.gz BFHKWBIRKIGLRK-LJQANCHMSA-N -1 3 395.438 3.100 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821690101 606524529 /nfs/dbraw/zinc/52/45/29/606524529.db2.gz YWTJDFHCNANBCR-HYXAFXHYSA-N -1 3 395.438 3.084 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821690101 606524533 /nfs/dbraw/zinc/52/45/33/606524533.db2.gz YWTJDFHCNANBCR-HYXAFXHYSA-N -1 3 395.438 3.084 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1cc(-c2nnn[n-]2)cs1 ZINC000823337710 606526181 /nfs/dbraw/zinc/52/61/81/606526181.db2.gz QZHDNBMLUQWUNJ-UHFFFAOYSA-N -1 3 397.395 3.247 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1cc(-c2nn[n-]n2)cs1 ZINC000823337710 606526182 /nfs/dbraw/zinc/52/61/82/606526182.db2.gz QZHDNBMLUQWUNJ-UHFFFAOYSA-N -1 3 397.395 3.247 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(-c2cccnc2)cc1 ZINC000820392602 606527289 /nfs/dbraw/zinc/52/72/89/606527289.db2.gz WVGLJHGTWIHUMW-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(-c2cccnc2)cc1 ZINC000820392602 606527292 /nfs/dbraw/zinc/52/72/92/606527292.db2.gz WVGLJHGTWIHUMW-LBPRGKRZSA-N -1 3 376.445 3.481 20 0 GGADHM CC[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)Oc1ccccc1Cl ZINC000820907141 606536836 /nfs/dbraw/zinc/53/68/36/606536836.db2.gz CFFACSXCDAGVLA-LLVKDONJSA-N -1 3 377.857 3.169 20 0 GGADHM CC[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)Oc1ccccc1Cl ZINC000820907141 606536838 /nfs/dbraw/zinc/53/68/38/606536838.db2.gz CFFACSXCDAGVLA-LLVKDONJSA-N -1 3 377.857 3.169 20 0 GGADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821596235 606540136 /nfs/dbraw/zinc/54/01/36/606540136.db2.gz DWATYXXWNXFDQR-YOEHRIQHSA-N -1 3 383.477 3.168 20 0 GGADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821596235 606540138 /nfs/dbraw/zinc/54/01/38/606540138.db2.gz DWATYXXWNXFDQR-YOEHRIQHSA-N -1 3 383.477 3.168 20 0 GGADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821596488 606541102 /nfs/dbraw/zinc/54/11/02/606541102.db2.gz LPKJJNHVBCPVOO-CTNGQTDRSA-N -1 3 391.475 3.036 20 0 GGADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821596488 606541105 /nfs/dbraw/zinc/54/11/05/606541105.db2.gz LPKJJNHVBCPVOO-CTNGQTDRSA-N -1 3 391.475 3.036 20 0 GGADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821596491 606541233 /nfs/dbraw/zinc/54/12/33/606541233.db2.gz LPKJJNHVBCPVOO-TZIWHRDSSA-N -1 3 391.475 3.036 20 0 GGADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821596491 606541236 /nfs/dbraw/zinc/54/12/36/606541236.db2.gz LPKJJNHVBCPVOO-TZIWHRDSSA-N -1 3 391.475 3.036 20 0 GGADHM COc1ccc(N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C2CC2)cc1 ZINC000821827508 606542951 /nfs/dbraw/zinc/54/29/51/606542951.db2.gz DHECLAXFIKCBKU-CQSZACIVSA-N -1 3 377.448 3.250 20 0 GGADHM COc1ccc(N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C2CC2)cc1 ZINC000821827508 606542953 /nfs/dbraw/zinc/54/29/53/606542953.db2.gz DHECLAXFIKCBKU-CQSZACIVSA-N -1 3 377.448 3.250 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(CC1CCC1)CC(F)(F)F ZINC000823060501 606543789 /nfs/dbraw/zinc/54/37/89/606543789.db2.gz FCMBXWHHCYNRLR-UHFFFAOYSA-N -1 3 399.442 3.291 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(CC1CCC1)CC(F)(F)F ZINC000823060501 606543791 /nfs/dbraw/zinc/54/37/91/606543791.db2.gz FCMBXWHHCYNRLR-UHFFFAOYSA-N -1 3 399.442 3.291 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1Br ZINC000823337279 606549555 /nfs/dbraw/zinc/54/95/55/606549555.db2.gz JTDWHMRJABGGQH-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1Br ZINC000823337279 606549557 /nfs/dbraw/zinc/54/95/57/606549557.db2.gz JTDWHMRJABGGQH-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CCCOc1ccc(Cl)cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821134555 606551922 /nfs/dbraw/zinc/55/19/22/606551922.db2.gz YISLBFULFHXQJB-UHFFFAOYSA-N -1 3 389.818 3.378 20 0 GGADHM CCCOc1ccc(Cl)cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821134555 606551924 /nfs/dbraw/zinc/55/19/24/606551924.db2.gz YISLBFULFHXQJB-UHFFFAOYSA-N -1 3 389.818 3.378 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000823087238 606552227 /nfs/dbraw/zinc/55/22/27/606552227.db2.gz LNSOGMNFWXZZBT-IBGZPJMESA-N -1 3 379.439 3.172 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000823087238 606552229 /nfs/dbraw/zinc/55/22/29/606552229.db2.gz LNSOGMNFWXZZBT-IBGZPJMESA-N -1 3 379.439 3.172 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OCc2ccncc2)cc1 ZINC000823104643 606553228 /nfs/dbraw/zinc/55/32/28/606553228.db2.gz ZYRUZXBWWDJJCT-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OCc2ccncc2)cc1 ZINC000823104643 606553229 /nfs/dbraw/zinc/55/32/29/606553229.db2.gz ZYRUZXBWWDJJCT-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM COc1ccc2oc([C@H](C)NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000821854772 606553572 /nfs/dbraw/zinc/55/35/72/606553572.db2.gz UXXGPISPVBKUJP-ZDUSSCGKSA-N -1 3 391.431 3.350 20 0 GGADHM COc1ccc2oc([C@H](C)NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000821854772 606553574 /nfs/dbraw/zinc/55/35/74/606553574.db2.gz UXXGPISPVBKUJP-ZDUSSCGKSA-N -1 3 391.431 3.350 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823065970 606553615 /nfs/dbraw/zinc/55/36/15/606553615.db2.gz HAVUMWSZIYHXCU-YPMHNXCESA-N -1 3 399.442 3.444 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823065970 606553617 /nfs/dbraw/zinc/55/36/17/606553617.db2.gz HAVUMWSZIYHXCU-YPMHNXCESA-N -1 3 399.442 3.444 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000823421565 606560258 /nfs/dbraw/zinc/56/02/58/606560258.db2.gz CLPJVNPWMUPZRI-OAHLLOKOSA-N -1 3 386.358 3.241 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000823421565 606560259 /nfs/dbraw/zinc/56/02/59/606560259.db2.gz CLPJVNPWMUPZRI-OAHLLOKOSA-N -1 3 386.358 3.241 20 0 GGADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccsc1 ZINC000819884039 606560327 /nfs/dbraw/zinc/56/03/27/606560327.db2.gz RHIZMRAEPPWLRK-SECBINFHSA-N -1 3 380.376 3.377 20 0 GGADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccsc1 ZINC000819884039 606560328 /nfs/dbraw/zinc/56/03/28/606560328.db2.gz RHIZMRAEPPWLRK-SECBINFHSA-N -1 3 380.376 3.377 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc2cnccc21 ZINC000823422164 606561706 /nfs/dbraw/zinc/56/17/06/606561706.db2.gz PBDYGMVHKRDFGN-UHFFFAOYSA-N -1 3 397.341 3.373 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc2cnccc21 ZINC000823422164 606561708 /nfs/dbraw/zinc/56/17/08/606561708.db2.gz PBDYGMVHKRDFGN-UHFFFAOYSA-N -1 3 397.341 3.373 20 0 GGADHM O=C(C/C=C/c1cccc(F)c1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822946204 606562401 /nfs/dbraw/zinc/56/24/01/606562401.db2.gz XDAUQIBHCHNRBM-DUXPYHPUSA-N -1 3 389.394 3.234 20 0 GGADHM CC(C)c1ccc(-c2noc(COC(=O)c3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000820187940 606565343 /nfs/dbraw/zinc/56/53/43/606565343.db2.gz ZZOROEJNEFBPKU-UHFFFAOYSA-N -1 3 396.432 3.459 20 0 GGADHM CC(C)c1ccc(-c2noc(COC(=O)c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000820187940 606565344 /nfs/dbraw/zinc/56/53/44/606565344.db2.gz ZZOROEJNEFBPKU-UHFFFAOYSA-N -1 3 396.432 3.459 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822239966 606565965 /nfs/dbraw/zinc/56/59/65/606565965.db2.gz MQLDDAICGWHFSO-VIFPVBQESA-N -1 3 391.840 3.074 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822239966 606565966 /nfs/dbraw/zinc/56/59/66/606565966.db2.gz MQLDDAICGWHFSO-VIFPVBQESA-N -1 3 391.840 3.074 20 0 GGADHM O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823410235 606566367 /nfs/dbraw/zinc/56/63/67/606566367.db2.gz SKFXSPXIXTVQHC-UHFFFAOYSA-N -1 3 385.232 3.471 20 0 GGADHM O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823410235 606566369 /nfs/dbraw/zinc/56/63/69/606566369.db2.gz SKFXSPXIXTVQHC-UHFFFAOYSA-N -1 3 385.232 3.471 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822035663 606566867 /nfs/dbraw/zinc/56/68/67/606566867.db2.gz YAGVVJIREQJARF-SECBINFHSA-N -1 3 391.840 3.074 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822035663 606566869 /nfs/dbraw/zinc/56/68/69/606566869.db2.gz YAGVVJIREQJARF-SECBINFHSA-N -1 3 391.840 3.074 20 0 GGADHM O=C(OCc1csc(-c2ccsc2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440212 606568378 /nfs/dbraw/zinc/56/83/78/606568378.db2.gz HZCUOCNNYBLTQB-UHFFFAOYSA-N -1 3 375.460 3.470 20 0 GGADHM O=C(OCc1csc(-c2ccsc2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440212 606568379 /nfs/dbraw/zinc/56/83/79/606568379.db2.gz HZCUOCNNYBLTQB-UHFFFAOYSA-N -1 3 375.460 3.470 20 0 GGADHM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000821022678 606568828 /nfs/dbraw/zinc/56/88/28/606568828.db2.gz SSCMKQQAAAIYQT-IUODEOHRSA-N -1 3 399.476 3.131 20 0 GGADHM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000821022678 606568830 /nfs/dbraw/zinc/56/88/30/606568830.db2.gz SSCMKQQAAAIYQT-IUODEOHRSA-N -1 3 399.476 3.131 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820045985 606569663 /nfs/dbraw/zinc/56/96/63/606569663.db2.gz PNMGVZHDABYUCE-ABAIWWIYSA-N -1 3 378.864 3.093 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820045985 606569664 /nfs/dbraw/zinc/56/96/64/606569664.db2.gz PNMGVZHDABYUCE-ABAIWWIYSA-N -1 3 378.864 3.093 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)[C@H]1C ZINC000820717125 606573063 /nfs/dbraw/zinc/57/30/63/606573063.db2.gz NYLOGXHFUMTPHQ-STQMWFEESA-N -1 3 379.424 3.316 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)[C@H]1C ZINC000820717125 606573065 /nfs/dbraw/zinc/57/30/65/606573065.db2.gz NYLOGXHFUMTPHQ-STQMWFEESA-N -1 3 379.424 3.316 20 0 GGADHM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000821034488 606573107 /nfs/dbraw/zinc/57/31/07/606573107.db2.gz NBTKXJVSDCTCGD-MLGOLLRUSA-N -1 3 379.424 3.364 20 0 GGADHM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000821034488 606573109 /nfs/dbraw/zinc/57/31/09/606573109.db2.gz NBTKXJVSDCTCGD-MLGOLLRUSA-N -1 3 379.424 3.364 20 0 GGADHM Cc1cccc(CC2CN(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000822299544 606573799 /nfs/dbraw/zinc/57/37/99/606573799.db2.gz MDOLHWYYMCGZEA-HNNXBMFYSA-N -1 3 376.464 3.120 20 0 GGADHM Cc1cccc(CC2CN(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000822299544 606573801 /nfs/dbraw/zinc/57/38/01/606573801.db2.gz MDOLHWYYMCGZEA-HNNXBMFYSA-N -1 3 376.464 3.120 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)[C@H](C)CO2)c1 ZINC000822231925 606574743 /nfs/dbraw/zinc/57/47/43/606574743.db2.gz MXHSJYQPDGRARA-OXQOHEQNSA-N -1 3 391.475 3.015 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)[C@H](C)CO2)c1 ZINC000822231925 606574745 /nfs/dbraw/zinc/57/47/45/606574745.db2.gz MXHSJYQPDGRARA-OXQOHEQNSA-N -1 3 391.475 3.015 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000821762652 606576627 /nfs/dbraw/zinc/57/66/27/606576627.db2.gz OHACKKBJYQVTRV-UHFFFAOYSA-N -1 3 398.854 3.235 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000821762652 606576629 /nfs/dbraw/zinc/57/66/29/606576629.db2.gz OHACKKBJYQVTRV-UHFFFAOYSA-N -1 3 398.854 3.235 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000821763012 606576726 /nfs/dbraw/zinc/57/67/26/606576726.db2.gz SIOHMQNXILELBF-JQWIXIFHSA-N -1 3 398.389 3.366 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000821763012 606576727 /nfs/dbraw/zinc/57/67/27/606576727.db2.gz SIOHMQNXILELBF-JQWIXIFHSA-N -1 3 398.389 3.366 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823472187 606578709 /nfs/dbraw/zinc/57/87/09/606578709.db2.gz CXIJFVJUJXAUDC-UHFFFAOYSA-N -1 3 377.429 3.387 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823472187 606578710 /nfs/dbraw/zinc/57/87/10/606578710.db2.gz CXIJFVJUJXAUDC-UHFFFAOYSA-N -1 3 377.429 3.387 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233924 606579656 /nfs/dbraw/zinc/57/96/56/606579656.db2.gz XXLQSGLHYAEOBX-PZJWPPBQSA-N -1 3 391.475 3.002 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233924 606579658 /nfs/dbraw/zinc/57/96/58/606579658.db2.gz XXLQSGLHYAEOBX-PZJWPPBQSA-N -1 3 391.475 3.002 20 0 GGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823176368 606580173 /nfs/dbraw/zinc/58/01/73/606580173.db2.gz SGJNRLHECJDADJ-NXEZZACHSA-N -1 3 386.353 3.496 20 0 GGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823176368 606580176 /nfs/dbraw/zinc/58/01/76/606580176.db2.gz SGJNRLHECJDADJ-NXEZZACHSA-N -1 3 386.353 3.496 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820334056 606580268 /nfs/dbraw/zinc/58/02/68/606580268.db2.gz JWJWFYYXVRTHRU-HNNXBMFYSA-N -1 3 384.443 3.349 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820334056 606580269 /nfs/dbraw/zinc/58/02/69/606580269.db2.gz JWJWFYYXVRTHRU-HNNXBMFYSA-N -1 3 384.443 3.349 20 0 GGADHM CC[C@@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820989095 606580592 /nfs/dbraw/zinc/58/05/92/606580592.db2.gz LXBAYJDLGKGUGY-YLJYHZDGSA-N -1 3 375.476 3.452 20 0 GGADHM CC[C@@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820989095 606580594 /nfs/dbraw/zinc/58/05/94/606580594.db2.gz LXBAYJDLGKGUGY-YLJYHZDGSA-N -1 3 375.476 3.452 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1COc1cccc(-c2nnco2)c1 ZINC000822731894 606590000 /nfs/dbraw/zinc/59/00/00/606590000.db2.gz DOTPDTFSXHHBAF-UHFFFAOYSA-N -1 3 386.318 3.097 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1COc1cccc(-c2nnco2)c1 ZINC000822731894 606590001 /nfs/dbraw/zinc/59/00/01/606590001.db2.gz DOTPDTFSXHHBAF-UHFFFAOYSA-N -1 3 386.318 3.097 20 0 GGADHM Cc1cc(C)c(-c2cc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n[nH]2)cc1C ZINC000822191127 606591275 /nfs/dbraw/zinc/59/12/75/606591275.db2.gz GAIHINOTYIBQLR-UHFFFAOYSA-N -1 3 387.447 3.363 20 0 GGADHM Cc1cc(C)c(-c2cc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n[nH]2)cc1C ZINC000822191127 606591277 /nfs/dbraw/zinc/59/12/77/606591277.db2.gz GAIHINOTYIBQLR-UHFFFAOYSA-N -1 3 387.447 3.363 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1CCCCCCC1 ZINC000823155863 606593761 /nfs/dbraw/zinc/59/37/61/606593761.db2.gz ZAUGQANMTXVMAA-UHFFFAOYSA-N -1 3 382.512 3.312 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1CCCCCCC1 ZINC000823155863 606593762 /nfs/dbraw/zinc/59/37/62/606593762.db2.gz ZAUGQANMTXVMAA-UHFFFAOYSA-N -1 3 382.512 3.312 20 0 GGADHM COc1cccc(OC)c1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821877766 606594820 /nfs/dbraw/zinc/59/48/20/606594820.db2.gz UXIGCRLAAGGYST-UHFFFAOYSA-N -1 3 378.335 3.064 20 0 GGADHM COc1cccc(OC)c1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821877766 606594822 /nfs/dbraw/zinc/59/48/22/606594822.db2.gz UXIGCRLAAGGYST-UHFFFAOYSA-N -1 3 378.335 3.064 20 0 GGADHM CC(=O)Nc1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1F ZINC000819810305 606595931 /nfs/dbraw/zinc/59/59/31/606595931.db2.gz GEWXGDUWFTYYRF-UHFFFAOYSA-N -1 3 392.341 3.178 20 0 GGADHM CC(=O)Nc1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1F ZINC000819810305 606595932 /nfs/dbraw/zinc/59/59/32/606595932.db2.gz GEWXGDUWFTYYRF-UHFFFAOYSA-N -1 3 392.341 3.178 20 0 GGADHM COc1c(F)cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000821698441 606596372 /nfs/dbraw/zinc/59/63/72/606596372.db2.gz KNXYATGZYNMEAF-UHFFFAOYSA-N -1 3 383.305 3.367 20 0 GGADHM COc1c(F)cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000821698441 606596373 /nfs/dbraw/zinc/59/63/73/606596373.db2.gz KNXYATGZYNMEAF-UHFFFAOYSA-N -1 3 383.305 3.367 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(CCO)[C@H]1CCc2ccccc21 ZINC000823303364 606597874 /nfs/dbraw/zinc/59/78/74/606597874.db2.gz HAZYBGJRGDRDKD-KRWDZBQOSA-N -1 3 398.854 3.034 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(CCO)[C@H]1CCc2ccccc21 ZINC000823303364 606597876 /nfs/dbraw/zinc/59/78/76/606597876.db2.gz HAZYBGJRGDRDKD-KRWDZBQOSA-N -1 3 398.854 3.034 20 0 GGADHM C[C@H]1CCCN1C(=O)CCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820709374 606598213 /nfs/dbraw/zinc/59/82/13/606598213.db2.gz IFJWCTJFNBGSMG-NSHDSACASA-N -1 3 397.451 3.102 20 0 GGADHM C[C@H]1CCCN1C(=O)CCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820709374 606598214 /nfs/dbraw/zinc/59/82/14/606598214.db2.gz IFJWCTJFNBGSMG-NSHDSACASA-N -1 3 397.451 3.102 20 0 GGADHM NC(=O)c1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822884939 606599615 /nfs/dbraw/zinc/59/96/15/606599615.db2.gz DVFSWHPAEJIRKK-UHFFFAOYSA-N -1 3 391.403 3.000 20 0 GGADHM NC(=O)c1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822884939 606599616 /nfs/dbraw/zinc/59/96/16/606599616.db2.gz DVFSWHPAEJIRKK-UHFFFAOYSA-N -1 3 391.403 3.000 20 0 GGADHM O=C(CCc1ccoc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822982190 606603100 /nfs/dbraw/zinc/60/31/00/606603100.db2.gz BQXIHBSBCIXAPC-UHFFFAOYSA-N -1 3 376.376 3.218 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C=C2CC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000821346537 606620630 /nfs/dbraw/zinc/62/06/30/606620630.db2.gz LGIRYRYZTOGLMU-LZUGORFDSA-N -1 3 375.454 3.098 20 0 GGADHM CCOC(=O)c1sc(NC(=O)/C=C2/CC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000821346537 606620631 /nfs/dbraw/zinc/62/06/31/606620631.db2.gz LGIRYRYZTOGLMU-LZUGORFDSA-N -1 3 375.454 3.098 20 0 GGADHM Cc1ccc(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)c(OC(C)(C)C)c1 ZINC000822237290 606622429 /nfs/dbraw/zinc/62/24/29/606622429.db2.gz NRBOEGNTBVMXBY-UHFFFAOYSA-N -1 3 395.463 3.048 20 0 GGADHM Cc1ccc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)c(OC(C)(C)C)c1 ZINC000822237290 606622431 /nfs/dbraw/zinc/62/24/31/606622431.db2.gz NRBOEGNTBVMXBY-UHFFFAOYSA-N -1 3 395.463 3.048 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000822627529 606625825 /nfs/dbraw/zinc/62/58/25/606625825.db2.gz OJUNAWWOIKOJPE-DXRVJIQQSA-N -1 3 376.464 3.303 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000822627529 606625827 /nfs/dbraw/zinc/62/58/27/606625827.db2.gz OJUNAWWOIKOJPE-DXRVJIQQSA-N -1 3 376.464 3.303 20 0 GGADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)NCC1(c2ccccc2)CC1 ZINC000823065914 606631128 /nfs/dbraw/zinc/63/11/28/606631128.db2.gz FBIXNJKLTWTQBE-UHFFFAOYSA-N -1 3 399.907 3.460 20 0 GGADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)NCC1(c2ccccc2)CC1 ZINC000823065914 606631130 /nfs/dbraw/zinc/63/11/30/606631130.db2.gz FBIXNJKLTWTQBE-UHFFFAOYSA-N -1 3 399.907 3.460 20 0 GGADHM Cc1noc(C)c1CCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822522674 606632811 /nfs/dbraw/zinc/63/28/11/606632811.db2.gz JFZFQEIHQCPUDF-UHFFFAOYSA-N -1 3 397.483 3.024 20 0 GGADHM Cc1noc(C)c1CCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000822522674 606632812 /nfs/dbraw/zinc/63/28/12/606632812.db2.gz JFZFQEIHQCPUDF-UHFFFAOYSA-N -1 3 397.483 3.024 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000822217913 606642262 /nfs/dbraw/zinc/64/22/62/606642262.db2.gz RNILBKANEKWQTP-LJQANCHMSA-N -1 3 392.463 3.079 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000822217913 606642263 /nfs/dbraw/zinc/64/22/63/606642263.db2.gz RNILBKANEKWQTP-LJQANCHMSA-N -1 3 392.463 3.079 20 0 GGADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822449604 606645885 /nfs/dbraw/zinc/64/58/85/606645885.db2.gz GNPCPABFLZXGKO-UHFFFAOYSA-N -1 3 380.886 3.478 20 0 GGADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822449604 606645886 /nfs/dbraw/zinc/64/58/86/606645886.db2.gz GNPCPABFLZXGKO-UHFFFAOYSA-N -1 3 380.886 3.478 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822477093 606657312 /nfs/dbraw/zinc/65/73/12/606657312.db2.gz GCXDQCZNVBLYEJ-RZXPCSSPSA-N -1 3 399.458 3.251 20 0 GGADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000822477093 606657313 /nfs/dbraw/zinc/65/73/13/606657313.db2.gz GCXDQCZNVBLYEJ-RZXPCSSPSA-N -1 3 399.458 3.251 20 0 GGADHM COc1cc(Br)c(CNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000378946593 606659335 /nfs/dbraw/zinc/65/93/35/606659335.db2.gz MHGJMTBQEZUCOU-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cc(Br)c(CNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000378946593 606659336 /nfs/dbraw/zinc/65/93/36/606659336.db2.gz MHGJMTBQEZUCOU-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM O=Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)cs1 ZINC000823551162 606660017 /nfs/dbraw/zinc/66/00/17/606660017.db2.gz HRRKPPXIBLZORN-UHFFFAOYSA-N -1 3 392.400 3.180 20 0 GGADHM O=C1OC(c2ccccc2C(F)(F)F)=NC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823546327 606661721 /nfs/dbraw/zinc/66/17/21/606661721.db2.gz BNNIYHBALMWXMF-XFFZJAGNSA-N -1 3 391.334 3.292 20 0 GGADHM O=C1OC(c2ccccc2C(F)(F)F)=NC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823547699 606661885 /nfs/dbraw/zinc/66/18/85/606661885.db2.gz NNDKAPUWNWADOC-ZROIWOOFSA-N -1 3 385.305 3.230 20 0 GGADHM O=C1OC(c2ccccc2C(F)(F)F)=NC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823547699 606661886 /nfs/dbraw/zinc/66/18/86/606661886.db2.gz NNDKAPUWNWADOC-ZROIWOOFSA-N -1 3 385.305 3.230 20 0 GGADHM O=C1OC(c2ccccc2C(F)(F)F)=NC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823547698 606661905 /nfs/dbraw/zinc/66/19/05/606661905.db2.gz NNDKAPUWNWADOC-NTEUORMPSA-N -1 3 385.305 3.230 20 0 GGADHM O=C1OC(c2ccccc2C(F)(F)F)=NC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823547698 606661906 /nfs/dbraw/zinc/66/19/06/606661906.db2.gz NNDKAPUWNWADOC-NTEUORMPSA-N -1 3 385.305 3.230 20 0 GGADHM O=C(NCCCSc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823197740 606662546 /nfs/dbraw/zinc/66/25/46/606662546.db2.gz UEKRQLZEVFIWLT-UHFFFAOYSA-N -1 3 375.404 3.057 20 0 GGADHM O=C(NCCCSc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823197740 606662547 /nfs/dbraw/zinc/66/25/47/606662547.db2.gz UEKRQLZEVFIWLT-UHFFFAOYSA-N -1 3 375.404 3.057 20 0 GGADHM C[C@H](OCCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820519427 606662637 /nfs/dbraw/zinc/66/26/37/606662637.db2.gz UDJQLPPPTBPBLB-LBPRGKRZSA-N -1 3 387.390 3.043 20 0 GGADHM C[C@H](OCCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820519427 606662638 /nfs/dbraw/zinc/66/26/38/606662638.db2.gz UDJQLPPPTBPBLB-LBPRGKRZSA-N -1 3 387.390 3.043 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(Br)cc1F ZINC000823444720 606663418 /nfs/dbraw/zinc/66/34/18/606663418.db2.gz NRVFRSFOALIKPI-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(Br)cc1F ZINC000823444720 606663419 /nfs/dbraw/zinc/66/34/19/606663419.db2.gz NRVFRSFOALIKPI-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM O=C(NCc1csc(-c2ccccc2)n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823266329 606664911 /nfs/dbraw/zinc/66/49/11/606664911.db2.gz SUQZFQHOROTGKD-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM O=C(NCc1csc(-c2ccccc2)n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823266329 606664912 /nfs/dbraw/zinc/66/49/12/606664912.db2.gz SUQZFQHOROTGKD-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(N2CCCC2)c1 ZINC000820368250 606665124 /nfs/dbraw/zinc/66/51/24/606665124.db2.gz YPMGSVVKJNJEGX-HNNXBMFYSA-N -1 3 391.479 3.027 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000820368250 606665125 /nfs/dbraw/zinc/66/51/25/606665125.db2.gz YPMGSVVKJNJEGX-HNNXBMFYSA-N -1 3 391.479 3.027 20 0 GGADHM C[C@H](NC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820404203 606666981 /nfs/dbraw/zinc/66/69/81/606666981.db2.gz RDBYQVACNDJYIV-ZDUSSCGKSA-N -1 3 390.472 3.405 20 0 GGADHM C[C@H](NC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820404203 606666982 /nfs/dbraw/zinc/66/69/82/606666982.db2.gz RDBYQVACNDJYIV-ZDUSSCGKSA-N -1 3 390.472 3.405 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000821609644 606668052 /nfs/dbraw/zinc/66/80/52/606668052.db2.gz GBCAIGCYDGTTDH-UHFFFAOYSA-N -1 3 390.472 3.186 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000821609644 606668053 /nfs/dbraw/zinc/66/80/53/606668053.db2.gz GBCAIGCYDGTTDH-UHFFFAOYSA-N -1 3 390.472 3.186 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822486622 606668853 /nfs/dbraw/zinc/66/88/53/606668853.db2.gz QOXPSBCSHFPATM-UHFFFAOYSA-N -1 3 395.373 3.200 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822486622 606668854 /nfs/dbraw/zinc/66/88/54/606668854.db2.gz QOXPSBCSHFPATM-UHFFFAOYSA-N -1 3 395.373 3.200 20 0 GGADHM O=C(C[C@H]1CCCCO1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822941049 606669729 /nfs/dbraw/zinc/66/97/29/606669729.db2.gz OEHGEIWPMIWSLC-LJQANCHMSA-N -1 3 393.447 3.343 20 0 GGADHM O=C(C[C@H]1CCCCO1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822941049 606669730 /nfs/dbraw/zinc/66/97/30/606669730.db2.gz OEHGEIWPMIWSLC-LJQANCHMSA-N -1 3 393.447 3.343 20 0 GGADHM CCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821422388 606670869 /nfs/dbraw/zinc/67/08/69/606670869.db2.gz WNYQRQQRZUKBFY-UHFFFAOYSA-N -1 3 379.754 3.449 20 0 GGADHM CCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821422388 606670870 /nfs/dbraw/zinc/67/08/70/606670870.db2.gz WNYQRQQRZUKBFY-UHFFFAOYSA-N -1 3 379.754 3.449 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342936 606670893 /nfs/dbraw/zinc/67/08/93/606670893.db2.gz YVCUVRGGNOSYAZ-CXAGYDPISA-N -1 3 380.427 3.266 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342936 606670894 /nfs/dbraw/zinc/67/08/94/606670894.db2.gz YVCUVRGGNOSYAZ-CXAGYDPISA-N -1 3 380.427 3.266 20 0 GGADHM C[C@H](NC(=O)N1CC[C@](C)(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342534 606671046 /nfs/dbraw/zinc/67/10/46/606671046.db2.gz VPIJNUIPAPRDRT-BTYIYWSLSA-N -1 3 376.464 3.301 20 0 GGADHM C[C@H](NC(=O)N1CC[C@](C)(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342534 606671047 /nfs/dbraw/zinc/67/10/47/606671047.db2.gz VPIJNUIPAPRDRT-BTYIYWSLSA-N -1 3 376.464 3.301 20 0 GGADHM Nc1c(Cl)cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000822904147 606672138 /nfs/dbraw/zinc/67/21/38/606672138.db2.gz SWDZFPUSWQDWKF-UHFFFAOYSA-N -1 3 385.161 3.286 20 0 GGADHM Nc1c(Cl)cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000822904147 606672139 /nfs/dbraw/zinc/67/21/39/606672139.db2.gz SWDZFPUSWQDWKF-UHFFFAOYSA-N -1 3 385.161 3.286 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1c(CC)noc1CC ZINC000821104433 606672803 /nfs/dbraw/zinc/67/28/03/606672803.db2.gz CRKBFOZMUFRFCS-UHFFFAOYSA-N -1 3 397.483 3.101 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1c(CC)noc1CC ZINC000821104433 606672804 /nfs/dbraw/zinc/67/28/04/606672804.db2.gz CRKBFOZMUFRFCS-UHFFFAOYSA-N -1 3 397.483 3.101 20 0 GGADHM CCC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)COC1 ZINC000820944167 606673448 /nfs/dbraw/zinc/67/34/48/606673448.db2.gz IZACRCVJFQOILM-UHFFFAOYSA-N -1 3 381.461 3.059 20 0 GGADHM CCC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)COC1 ZINC000820944167 606673449 /nfs/dbraw/zinc/67/34/49/606673449.db2.gz IZACRCVJFQOILM-UHFFFAOYSA-N -1 3 381.461 3.059 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1cccnc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139701 606677723 /nfs/dbraw/zinc/67/77/23/606677723.db2.gz KADMPIGDFIXYHU-GOSISDBHSA-N -1 3 392.369 3.059 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1cccnc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139701 606677724 /nfs/dbraw/zinc/67/77/24/606677724.db2.gz KADMPIGDFIXYHU-GOSISDBHSA-N -1 3 392.369 3.059 20 0 GGADHM O=C(NCC1(Sc2ccccc2)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823171526 606679281 /nfs/dbraw/zinc/67/92/81/606679281.db2.gz XBSCRRAKTDZTCA-UHFFFAOYSA-N -1 3 387.415 3.200 20 0 GGADHM O=C(NCC1(Sc2ccccc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823171526 606679282 /nfs/dbraw/zinc/67/92/82/606679282.db2.gz XBSCRRAKTDZTCA-UHFFFAOYSA-N -1 3 387.415 3.200 20 0 GGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC000823455218 606682136 /nfs/dbraw/zinc/68/21/36/606682136.db2.gz YMNQZJDTQCGAKQ-CQSZACIVSA-N -1 3 383.402 3.240 20 0 GGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC000823455218 606682137 /nfs/dbraw/zinc/68/21/37/606682137.db2.gz YMNQZJDTQCGAKQ-CQSZACIVSA-N -1 3 383.402 3.240 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821777397 606682720 /nfs/dbraw/zinc/68/27/20/606682720.db2.gz DYLFEFQGNVTGNU-LLVKDONJSA-N -1 3 387.390 3.077 20 0 GGADHM COc1ccc([C@H](C)CCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821777397 606682721 /nfs/dbraw/zinc/68/27/21/606682721.db2.gz DYLFEFQGNVTGNU-LLVKDONJSA-N -1 3 387.390 3.077 20 0 GGADHM O=C(Cc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823111497 606682853 /nfs/dbraw/zinc/68/28/53/606682853.db2.gz KQYGUJCZEQUIBW-UHFFFAOYSA-N -1 3 383.280 3.345 20 0 GGADHM O=C(Cc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823111497 606682854 /nfs/dbraw/zinc/68/28/54/606682854.db2.gz KQYGUJCZEQUIBW-UHFFFAOYSA-N -1 3 383.280 3.345 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820642889 606684396 /nfs/dbraw/zinc/68/43/96/606684396.db2.gz MHWKNONKNSTMHP-JSGCOSHPSA-N -1 3 383.402 3.238 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820642889 606684397 /nfs/dbraw/zinc/68/43/97/606684397.db2.gz MHWKNONKNSTMHP-JSGCOSHPSA-N -1 3 383.402 3.238 20 0 GGADHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000821072561 606685286 /nfs/dbraw/zinc/68/52/86/606685286.db2.gz TURWULZSFCFYAX-HUUCEWRRSA-N -1 3 393.438 3.201 20 0 GGADHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821072561 606685287 /nfs/dbraw/zinc/68/52/87/606685287.db2.gz TURWULZSFCFYAX-HUUCEWRRSA-N -1 3 393.438 3.201 20 0 GGADHM CC[C@@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)Oc1ccccc1C ZINC000820908489 606685687 /nfs/dbraw/zinc/68/56/87/606685687.db2.gz MLLXADKXRWFUDZ-ZDUSSCGKSA-N -1 3 387.390 3.041 20 0 GGADHM CC[C@@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Oc1ccccc1C ZINC000820908489 606685688 /nfs/dbraw/zinc/68/56/88/606685688.db2.gz MLLXADKXRWFUDZ-ZDUSSCGKSA-N -1 3 387.390 3.041 20 0 GGADHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820488402 606686439 /nfs/dbraw/zinc/68/64/39/606686439.db2.gz NRQQDZWCPLXGCN-KZULUSFZSA-N -1 3 399.401 3.418 20 0 GGADHM Cc1ccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(OCC2CC2)c1 ZINC000822237286 606688305 /nfs/dbraw/zinc/68/83/05/606688305.db2.gz NLRHPHDYRCYWCH-ZHACJKMWSA-N -1 3 389.459 3.294 20 0 GGADHM Cc1ccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(OCC2CC2)c1 ZINC000822237286 606688306 /nfs/dbraw/zinc/68/83/06/606688306.db2.gz NLRHPHDYRCYWCH-ZHACJKMWSA-N -1 3 389.459 3.294 20 0 GGADHM Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c(OCC(F)(F)F)c1 ZINC000822238775 606689226 /nfs/dbraw/zinc/68/92/26/606689226.db2.gz UHHWBWSLPYJXBY-UHFFFAOYSA-N -1 3 397.382 3.108 20 0 GGADHM Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c(OCC(F)(F)F)c1 ZINC000822238775 606689227 /nfs/dbraw/zinc/68/92/27/606689227.db2.gz UHHWBWSLPYJXBY-UHFFFAOYSA-N -1 3 397.382 3.108 20 0 GGADHM O=C(NCCC1CCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823187142 606690078 /nfs/dbraw/zinc/69/00/78/606690078.db2.gz CPEVAMZWYJFSLC-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM O=C(NCCC1CCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823187142 606690079 /nfs/dbraw/zinc/69/00/79/606690079.db2.gz CPEVAMZWYJFSLC-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820995877 606691020 /nfs/dbraw/zinc/69/10/20/606691020.db2.gz ZLMBLESDIUUUQK-QFQMRYFISA-N -1 3 388.475 3.137 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820995877 606691021 /nfs/dbraw/zinc/69/10/21/606691021.db2.gz ZLMBLESDIUUUQK-QFQMRYFISA-N -1 3 388.475 3.137 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823031897 606693812 /nfs/dbraw/zinc/69/38/12/606693812.db2.gz JEPCPRXOTUMFSO-HXUWFJFHSA-N -1 3 395.438 3.432 20 0 GGADHM CC(C)[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820039473 606695220 /nfs/dbraw/zinc/69/52/20/606695220.db2.gz XHORVQPRDKTYCP-OAHLLOKOSA-N -1 3 397.508 3.424 20 0 GGADHM CC(C)[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820039473 606695221 /nfs/dbraw/zinc/69/52/21/606695221.db2.gz XHORVQPRDKTYCP-OAHLLOKOSA-N -1 3 397.508 3.424 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000821763050 606696767 /nfs/dbraw/zinc/69/67/67/606696767.db2.gz UEMOIUBOKCXSLR-CQSZACIVSA-N -1 3 382.399 3.036 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000821763050 606696768 /nfs/dbraw/zinc/69/67/68/606696768.db2.gz UEMOIUBOKCXSLR-CQSZACIVSA-N -1 3 382.399 3.036 20 0 GGADHM CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820021378 606696947 /nfs/dbraw/zinc/69/69/47/606696947.db2.gz SWZKRJBDDDENBH-SFHVURJKSA-N -1 3 398.442 3.057 20 0 GGADHM CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820021378 606696948 /nfs/dbraw/zinc/69/69/48/606696948.db2.gz SWZKRJBDDDENBH-SFHVURJKSA-N -1 3 398.442 3.057 20 0 GGADHM CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820021377 606697084 /nfs/dbraw/zinc/69/70/84/606697084.db2.gz SWZKRJBDDDENBH-GOSISDBHSA-N -1 3 398.442 3.057 20 0 GGADHM CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820021377 606697085 /nfs/dbraw/zinc/69/70/85/606697085.db2.gz SWZKRJBDDDENBH-GOSISDBHSA-N -1 3 398.442 3.057 20 0 GGADHM CCOc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000821421704 606699651 /nfs/dbraw/zinc/69/96/51/606699651.db2.gz DBHSNYVWWUGRGN-UHFFFAOYSA-N -1 3 377.408 3.236 20 0 GGADHM CCOc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000821421704 606699653 /nfs/dbraw/zinc/69/96/53/606699653.db2.gz DBHSNYVWWUGRGN-UHFFFAOYSA-N -1 3 377.408 3.236 20 0 GGADHM COc1c(Cl)cccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821698551 606701475 /nfs/dbraw/zinc/70/14/75/606701475.db2.gz OKOJWZSBKTUFEP-UHFFFAOYSA-N -1 3 383.799 3.191 20 0 GGADHM COc1c(Cl)cccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821698551 606701477 /nfs/dbraw/zinc/70/14/77/606701477.db2.gz OKOJWZSBKTUFEP-UHFFFAOYSA-N -1 3 383.799 3.191 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000821701527 606702176 /nfs/dbraw/zinc/70/21/76/606702176.db2.gz RKXSOVXZSVWLNO-UHFFFAOYSA-N -1 3 397.435 3.030 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000821701527 606702177 /nfs/dbraw/zinc/70/21/77/606702177.db2.gz RKXSOVXZSVWLNO-UHFFFAOYSA-N -1 3 397.435 3.030 20 0 GGADHM COC(=O)c1sccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821670980 606706336 /nfs/dbraw/zinc/70/63/36/606706336.db2.gz APVFXQYLQQEVQW-UHFFFAOYSA-N -1 3 385.493 3.373 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1nc(C(C)(C)C)cs1 ZINC000822505694 606706525 /nfs/dbraw/zinc/70/65/25/606706525.db2.gz RLXJGHIIGXRSKH-UHFFFAOYSA-N -1 3 380.481 3.236 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1nc(C(C)(C)C)cs1 ZINC000822505694 606706526 /nfs/dbraw/zinc/70/65/26/606706526.db2.gz RLXJGHIIGXRSKH-UHFFFAOYSA-N -1 3 380.481 3.236 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541268 606717489 /nfs/dbraw/zinc/71/74/89/606717489.db2.gz MPVWHYMFZFVTSI-IUODEOHRSA-N -1 3 398.442 3.032 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000819927927 606723781 /nfs/dbraw/zinc/72/37/81/606723781.db2.gz BHJWPZYWMXOGJS-AWEZNQCLSA-N -1 3 394.479 3.363 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000819927927 606723782 /nfs/dbraw/zinc/72/37/82/606723782.db2.gz BHJWPZYWMXOGJS-AWEZNQCLSA-N -1 3 394.479 3.363 20 0 GGADHM COCCC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCC1 ZINC000821685932 606732855 /nfs/dbraw/zinc/73/28/55/606732855.db2.gz VIFRWBCUZDGBML-UHFFFAOYSA-N -1 3 397.504 3.418 20 0 GGADHM O=C(Nc1ccc(F)cc1)c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823337287 606742714 /nfs/dbraw/zinc/74/27/14/606742714.db2.gz JXOCRACREYXIPS-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM O=C(Nc1ccc(F)cc1)c1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823337287 606742716 /nfs/dbraw/zinc/74/27/16/606742716.db2.gz JXOCRACREYXIPS-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)s1 ZINC000822436458 606747864 /nfs/dbraw/zinc/74/78/64/606747864.db2.gz NJZBTAPVTBERLZ-LLVKDONJSA-N -1 3 386.481 3.236 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)s1 ZINC000822436458 606747865 /nfs/dbraw/zinc/74/78/65/606747865.db2.gz NJZBTAPVTBERLZ-LLVKDONJSA-N -1 3 386.481 3.236 20 0 GGADHM CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821040637 606749062 /nfs/dbraw/zinc/74/90/62/606749062.db2.gz NXLIEDAIFKOQTN-MRXNPFEDSA-N -1 3 383.477 3.177 20 0 GGADHM CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821040637 606749064 /nfs/dbraw/zinc/74/90/64/606749064.db2.gz NXLIEDAIFKOQTN-MRXNPFEDSA-N -1 3 383.477 3.177 20 0 GGADHM O=C(COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000823397568 606759191 /nfs/dbraw/zinc/75/91/91/606759191.db2.gz XMIOMGFIPGRNPE-UHFFFAOYSA-N -1 3 394.337 3.338 20 0 GGADHM O=C(COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000823397568 606759193 /nfs/dbraw/zinc/75/91/93/606759193.db2.gz XMIOMGFIPGRNPE-UHFFFAOYSA-N -1 3 394.337 3.338 20 0 GGADHM CCCc1ccc(C(=O)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821138832 606759651 /nfs/dbraw/zinc/75/96/51/606759651.db2.gz IJFWBVYOLPPMII-UHFFFAOYSA-N -1 3 386.358 3.137 20 0 GGADHM CCCc1ccc(C(=O)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821138832 606759653 /nfs/dbraw/zinc/75/96/53/606759653.db2.gz IJFWBVYOLPPMII-UHFFFAOYSA-N -1 3 386.358 3.137 20 0 GGADHM C[C@@H](OC(=O)c1ccc2sccc2c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820513068 606761894 /nfs/dbraw/zinc/76/18/94/606761894.db2.gz TXINLINBBIRLPI-LLVKDONJSA-N -1 3 393.428 3.265 20 0 GGADHM C[C@@H](OC(=O)c1ccc2sccc2c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820513068 606761895 /nfs/dbraw/zinc/76/18/95/606761895.db2.gz TXINLINBBIRLPI-LLVKDONJSA-N -1 3 393.428 3.265 20 0 GGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823409458 606763094 /nfs/dbraw/zinc/76/30/94/606763094.db2.gz IEXNJGGJXIGVTB-UHFFFAOYSA-N -1 3 396.300 3.260 20 0 GGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823409458 606763095 /nfs/dbraw/zinc/76/30/95/606763095.db2.gz IEXNJGGJXIGVTB-UHFFFAOYSA-N -1 3 396.300 3.260 20 0 GGADHM CCCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821110279 606763278 /nfs/dbraw/zinc/76/32/78/606763278.db2.gz ZCUMTSWILQVKSM-UHFFFAOYSA-N -1 3 395.847 3.265 20 0 GGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000823409418 606763433 /nfs/dbraw/zinc/76/34/33/606763433.db2.gz HCMGOKXLSZALSV-UHFFFAOYSA-N -1 3 396.300 3.260 20 0 GGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cc(C(F)(F)F)ccc1F ZINC000823409418 606763435 /nfs/dbraw/zinc/76/34/35/606763435.db2.gz HCMGOKXLSZALSV-UHFFFAOYSA-N -1 3 396.300 3.260 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)O[C@H](C1CC1)C(F)(F)F ZINC000822954751 606763486 /nfs/dbraw/zinc/76/34/86/606763486.db2.gz BQEFZLYZXQIFBI-OAHLLOKOSA-N -1 3 384.358 3.300 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)O[C@H](C1CC1)C(F)(F)F ZINC000822954751 606763488 /nfs/dbraw/zinc/76/34/88/606763488.db2.gz BQEFZLYZXQIFBI-OAHLLOKOSA-N -1 3 384.358 3.300 20 0 GGADHM CC(C)C[C@@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000820063761 606763801 /nfs/dbraw/zinc/76/38/01/606763801.db2.gz YJEDNQHIKPUICV-RDTXWAMCSA-N -1 3 381.436 3.360 20 0 GGADHM CC1(C)C[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000820590575 606771348 /nfs/dbraw/zinc/77/13/48/606771348.db2.gz WVHQKTKOCJPNHN-HNNXBMFYSA-N -1 3 382.399 3.430 20 0 GGADHM CC1(C)C[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000820590575 606771350 /nfs/dbraw/zinc/77/13/50/606771350.db2.gz WVHQKTKOCJPNHN-HNNXBMFYSA-N -1 3 382.399 3.430 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823031495 606781835 /nfs/dbraw/zinc/78/18/35/606781835.db2.gz CCZUGZJHNIFJLM-WFASDCNBSA-N -1 3 375.860 3.080 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823031495 606781836 /nfs/dbraw/zinc/78/18/36/606781836.db2.gz CCZUGZJHNIFJLM-WFASDCNBSA-N -1 3 375.860 3.080 20 0 GGADHM CN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)[C@H]1CCCc2ccccc21 ZINC000821570866 606784904 /nfs/dbraw/zinc/78/49/04/606784904.db2.gz ONUVNZOHKMGHPE-KRWDZBQOSA-N -1 3 397.866 3.435 20 0 GGADHM CN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)[C@H]1CCCc2ccccc21 ZINC000821570866 606784905 /nfs/dbraw/zinc/78/49/05/606784905.db2.gz ONUVNZOHKMGHPE-KRWDZBQOSA-N -1 3 397.866 3.435 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2nncs2)cc1 ZINC000822146538 606785823 /nfs/dbraw/zinc/78/58/23/606785823.db2.gz YMTYXKDPOCUGLP-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM COc1cccc(OC)c1CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821871648 606789561 /nfs/dbraw/zinc/78/95/61/606789561.db2.gz BYWBDEYDUXBLAU-UHFFFAOYSA-N -1 3 395.463 3.116 20 0 GGADHM COc1cccc(OC)c1CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821871648 606789563 /nfs/dbraw/zinc/78/95/63/606789563.db2.gz BYWBDEYDUXBLAU-UHFFFAOYSA-N -1 3 395.463 3.116 20 0 GGADHM CN(C)c1cc(C(F)(F)F)nc(Oc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000821588175 606789659 /nfs/dbraw/zinc/78/96/59/606789659.db2.gz FZBFTSBQRZFMKD-UHFFFAOYSA-N -1 3 385.737 3.187 20 0 GGADHM CN(C)c1cc(C(F)(F)F)nc(Oc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000821588175 606789660 /nfs/dbraw/zinc/78/96/60/606789660.db2.gz FZBFTSBQRZFMKD-UHFFFAOYSA-N -1 3 385.737 3.187 20 0 GGADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820973190 606790531 /nfs/dbraw/zinc/79/05/31/606790531.db2.gz UQXLHURJMKGYMA-HKUYNNGSSA-N -1 3 393.447 3.342 20 0 GGADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820973190 606790532 /nfs/dbraw/zinc/79/05/32/606790532.db2.gz UQXLHURJMKGYMA-HKUYNNGSSA-N -1 3 393.447 3.342 20 0 GGADHM CSCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821962797 606792923 /nfs/dbraw/zinc/79/29/23/606792923.db2.gz XAXRMGOCFQINTD-UHFFFAOYSA-N -1 3 383.477 3.450 20 0 GGADHM CSCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821962797 606792924 /nfs/dbraw/zinc/79/29/24/606792924.db2.gz XAXRMGOCFQINTD-UHFFFAOYSA-N -1 3 383.477 3.450 20 0 GGADHM O=S(=O)(C=Cc1ccc(F)cc1)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823558020 606793681 /nfs/dbraw/zinc/79/36/81/606793681.db2.gz ZGDSYUKUNXRXFB-BQYQJAHWSA-N -1 3 380.788 3.039 20 0 GGADHM O=S(=O)(C=Cc1ccc(F)cc1)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823558020 606793682 /nfs/dbraw/zinc/79/36/82/606793682.db2.gz ZGDSYUKUNXRXFB-BQYQJAHWSA-N -1 3 380.788 3.039 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000823588970 606795222 /nfs/dbraw/zinc/79/52/22/606795222.db2.gz FZTJCTLCEGLZBH-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000823588970 606795224 /nfs/dbraw/zinc/79/52/24/606795224.db2.gz FZTJCTLCEGLZBH-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM Cc1ccncc1COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822378511 606801302 /nfs/dbraw/zinc/80/13/02/606801302.db2.gz AVVUNXLDAAPDQC-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM O=C(OC[C@@H]1CCSC1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823400549 606801923 /nfs/dbraw/zinc/80/19/23/606801923.db2.gz GNSLNSDDJZYUKQ-AWEZNQCLSA-N -1 3 396.472 3.356 20 0 GGADHM O=C(OC[C@@H]1CCSC1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823400549 606801926 /nfs/dbraw/zinc/80/19/26/606801926.db2.gz GNSLNSDDJZYUKQ-AWEZNQCLSA-N -1 3 396.472 3.356 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@@H]1CCSC1 ZINC000823350291 606804063 /nfs/dbraw/zinc/80/40/63/606804063.db2.gz HPPXFHUOTLEPEG-CQSZACIVSA-N -1 3 399.451 3.276 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@@H]1CCSC1 ZINC000823350291 606804065 /nfs/dbraw/zinc/80/40/65/606804065.db2.gz HPPXFHUOTLEPEG-CQSZACIVSA-N -1 3 399.451 3.276 20 0 GGADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCOCC1 ZINC000820397344 606804816 /nfs/dbraw/zinc/80/48/16/606804816.db2.gz OIPBHBWKUVOELB-AWEZNQCLSA-N -1 3 393.447 3.204 20 0 GGADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000820397344 606804819 /nfs/dbraw/zinc/80/48/19/606804819.db2.gz OIPBHBWKUVOELB-AWEZNQCLSA-N -1 3 393.447 3.204 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823175647 606809837 /nfs/dbraw/zinc/80/98/37/606809837.db2.gz LISXTHWSHLCJBZ-QGZVFWFLSA-N -1 3 381.461 3.284 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823175647 606809838 /nfs/dbraw/zinc/80/98/38/606809838.db2.gz LISXTHWSHLCJBZ-QGZVFWFLSA-N -1 3 381.461 3.284 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821979598 606812295 /nfs/dbraw/zinc/81/22/95/606812295.db2.gz UEXXNXDIQCAWJD-UHFFFAOYSA-N -1 3 399.545 3.447 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821979598 606812296 /nfs/dbraw/zinc/81/22/96/606812296.db2.gz UEXXNXDIQCAWJD-UHFFFAOYSA-N -1 3 399.545 3.447 20 0 GGADHM O=C(Nc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1)c1cccs1 ZINC000823367630 606817578 /nfs/dbraw/zinc/81/75/78/606817578.db2.gz MKVPHDFXNXTXGA-UHFFFAOYSA-N -1 3 390.428 3.433 20 0 GGADHM O=C(Nc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1)c1cccs1 ZINC000823367630 606817579 /nfs/dbraw/zinc/81/75/79/606817579.db2.gz MKVPHDFXNXTXGA-UHFFFAOYSA-N -1 3 390.428 3.433 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc2[nH]ccc21 ZINC000823421729 606819748 /nfs/dbraw/zinc/81/97/48/606819748.db2.gz HCWZMDANRNUOEG-UHFFFAOYSA-N -1 3 385.330 3.306 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc2[nH]ccc21 ZINC000823421729 606819749 /nfs/dbraw/zinc/81/97/49/606819749.db2.gz HCWZMDANRNUOEG-UHFFFAOYSA-N -1 3 385.330 3.306 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000821431112 606825134 /nfs/dbraw/zinc/82/51/34/606825134.db2.gz MNHPEEQGQFHTAB-QGZVFWFLSA-N -1 3 395.463 3.220 20 0 GGADHM COCc1ccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821695062 606828574 /nfs/dbraw/zinc/82/85/74/606828574.db2.gz HSJHFPINBLQFOE-AWEZNQCLSA-N -1 3 397.504 3.124 20 0 GGADHM COCc1ccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821695062 606828576 /nfs/dbraw/zinc/82/85/76/606828576.db2.gz HSJHFPINBLQFOE-AWEZNQCLSA-N -1 3 397.504 3.124 20 0 GGADHM Cc1c2nc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)sc2ccc1F ZINC000822035142 606833288 /nfs/dbraw/zinc/83/32/88/606833288.db2.gz QWWFTGMFHKFXLV-UHFFFAOYSA-N -1 3 382.424 3.495 20 0 GGADHM Cc1c2nc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)sc2ccc1F ZINC000822035142 606833289 /nfs/dbraw/zinc/83/32/89/606833289.db2.gz QWWFTGMFHKFXLV-UHFFFAOYSA-N -1 3 382.424 3.495 20 0 GGADHM Cc1c(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)cnn1C ZINC000822109665 606833545 /nfs/dbraw/zinc/83/35/45/606833545.db2.gz SXKJJQSPUHTVBN-UHFFFAOYSA-N -1 3 391.460 3.312 20 0 GGADHM Cc1c(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)cnn1C ZINC000822109665 606833547 /nfs/dbraw/zinc/83/35/47/606833547.db2.gz SXKJJQSPUHTVBN-UHFFFAOYSA-N -1 3 391.460 3.312 20 0 GGADHM Cc1c2nc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)sc2ccc1F ZINC000822035162 606833630 /nfs/dbraw/zinc/83/36/30/606833630.db2.gz RIJIRPJYIBIKHL-UHFFFAOYSA-N -1 3 390.350 3.454 20 0 GGADHM Cc1c2nc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)sc2ccc1F ZINC000822035162 606833631 /nfs/dbraw/zinc/83/36/31/606833631.db2.gz RIJIRPJYIBIKHL-UHFFFAOYSA-N -1 3 390.350 3.454 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1F ZINC000823219557 606838016 /nfs/dbraw/zinc/83/80/16/606838016.db2.gz LJXWKJMHQWKLCL-UHFFFAOYSA-N -1 3 391.859 3.322 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC000823219557 606838018 /nfs/dbraw/zinc/83/80/18/606838018.db2.gz LJXWKJMHQWKLCL-UHFFFAOYSA-N -1 3 391.859 3.322 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000820562944 606840241 /nfs/dbraw/zinc/84/02/41/606840241.db2.gz KDVANTRHQURTGF-JTQLQIEISA-N -1 3 395.847 3.041 20 0 GGADHM C[C@H](SCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1 ZINC000820549596 606842323 /nfs/dbraw/zinc/84/23/23/606842323.db2.gz PHQSBLZKBDFCPG-HNNXBMFYSA-N -1 3 397.504 3.074 20 0 GGADHM C[C@H](SCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccc1 ZINC000820549596 606842324 /nfs/dbraw/zinc/84/23/24/606842324.db2.gz PHQSBLZKBDFCPG-HNNXBMFYSA-N -1 3 397.504 3.074 20 0 GGADHM Cc1cc(C)cc(-n2ccnc2SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196793 606847564 /nfs/dbraw/zinc/84/75/64/606847564.db2.gz XDDMHKZEOPMANX-SFHVURJKSA-N -1 3 392.488 3.495 20 0 GGADHM Cc1cc(C)cc(-n2ccnc2SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196793 606847566 /nfs/dbraw/zinc/84/75/66/606847566.db2.gz XDDMHKZEOPMANX-SFHVURJKSA-N -1 3 392.488 3.495 20 0 GGADHM O[C@H](CSc1nnc(Nc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823696253 606848177 /nfs/dbraw/zinc/84/81/77/606848177.db2.gz BLGLVMVQYOBSTA-CQSZACIVSA-N -1 3 397.489 3.288 20 0 GGADHM O[C@H](CSc1nnc(Nc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823696253 606848179 /nfs/dbraw/zinc/84/81/79/606848179.db2.gz BLGLVMVQYOBSTA-CQSZACIVSA-N -1 3 397.489 3.288 20 0 GGADHM COC(=O)c1ccc(CSCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821669266 606848687 /nfs/dbraw/zinc/84/86/87/606848687.db2.gz DAXMOQIRJACJDY-UHFFFAOYSA-N -1 3 388.424 3.105 20 0 GGADHM COC(=O)c1ccc(CSCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821669266 606848688 /nfs/dbraw/zinc/84/86/88/606848688.db2.gz DAXMOQIRJACJDY-UHFFFAOYSA-N -1 3 388.424 3.105 20 0 GGADHM CCCCNc1nc2ccccc2n1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821071740 606850603 /nfs/dbraw/zinc/85/06/03/606850603.db2.gz LBPUHORFLJSFCE-GOSISDBHSA-N -1 3 377.452 3.162 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1cccnc1Cl ZINC000823065904 606852163 /nfs/dbraw/zinc/85/21/63/606852163.db2.gz DUBGUIGRXUCDOE-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cccnc1Cl ZINC000823065904 606852165 /nfs/dbraw/zinc/85/21/65/606852165.db2.gz DUBGUIGRXUCDOE-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=S(=O)(CCSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823562030 606852398 /nfs/dbraw/zinc/85/23/98/606852398.db2.gz MVZFNVYZNATDRA-UHFFFAOYSA-N -1 3 380.882 3.086 20 0 GGADHM O=S(=O)(CCSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823562030 606852399 /nfs/dbraw/zinc/85/23/99/606852399.db2.gz MVZFNVYZNATDRA-UHFFFAOYSA-N -1 3 380.882 3.086 20 0 GGADHM c1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc(OC[C@H]2CCCO2)c1 ZINC000823756745 606864863 /nfs/dbraw/zinc/86/48/63/606864863.db2.gz GRWFWAQNBCLZFY-HXUWFJFHSA-N -1 3 395.463 3.306 20 0 GGADHM c1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc(OC[C@H]2CCCO2)c1 ZINC000823756745 606864865 /nfs/dbraw/zinc/86/48/65/606864865.db2.gz GRWFWAQNBCLZFY-HXUWFJFHSA-N -1 3 395.463 3.306 20 0 GGADHM C[C@H](NC(=O)c1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820398024 606864971 /nfs/dbraw/zinc/86/49/71/606864971.db2.gz ZPUIZBLRPGVVTP-JTQLQIEISA-N -1 3 377.326 3.256 20 0 GGADHM C[C@H](NC(=O)c1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820398024 606864973 /nfs/dbraw/zinc/86/49/73/606864973.db2.gz ZPUIZBLRPGVVTP-JTQLQIEISA-N -1 3 377.326 3.256 20 0 GGADHM CC(C)c1cccc(N(C)S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820197249 606865486 /nfs/dbraw/zinc/86/54/86/606865486.db2.gz IDQZRDNYZPSWOK-UHFFFAOYSA-N -1 3 393.419 3.093 20 0 GGADHM CC(C)c1cccc(N(C)S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820197249 606865488 /nfs/dbraw/zinc/86/54/88/606865488.db2.gz IDQZRDNYZPSWOK-UHFFFAOYSA-N -1 3 393.419 3.093 20 0 GGADHM COC(=O)[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)c1 ZINC000821644658 606866889 /nfs/dbraw/zinc/86/68/89/606866889.db2.gz FTYZRTNMDFOHRK-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(Cl)c1 ZINC000821644658 606866891 /nfs/dbraw/zinc/86/68/91/606866891.db2.gz FTYZRTNMDFOHRK-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)O1 ZINC000820675160 606869665 /nfs/dbraw/zinc/86/96/65/606869665.db2.gz ICHVKIPYVYFNGH-KUHUBIRLSA-N -1 3 395.438 3.102 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)O1 ZINC000820675160 606869667 /nfs/dbraw/zinc/86/96/67/606869667.db2.gz ICHVKIPYVYFNGH-KUHUBIRLSA-N -1 3 395.438 3.102 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000823460141 606871119 /nfs/dbraw/zinc/87/11/19/606871119.db2.gz IQIZBRKJUSSHIW-UHFFFAOYSA-N -1 3 388.353 3.143 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000823460141 606871121 /nfs/dbraw/zinc/87/11/21/606871121.db2.gz IQIZBRKJUSSHIW-UHFFFAOYSA-N -1 3 388.353 3.143 20 0 GGADHM CC1(CNC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCCC1 ZINC000820613306 606872079 /nfs/dbraw/zinc/87/20/79/606872079.db2.gz ZOXLLWXGNXUMRC-UHFFFAOYSA-N -1 3 398.511 3.390 20 0 GGADHM CC1(CNC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCCC1 ZINC000820613306 606872081 /nfs/dbraw/zinc/87/20/81/606872081.db2.gz ZOXLLWXGNXUMRC-UHFFFAOYSA-N -1 3 398.511 3.390 20 0 GGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822225231 606874025 /nfs/dbraw/zinc/87/40/25/606874025.db2.gz UBWZSZIWTBWGGA-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822225231 606874027 /nfs/dbraw/zinc/87/40/27/606874027.db2.gz UBWZSZIWTBWGGA-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1Br ZINC000822977910 606875078 /nfs/dbraw/zinc/87/50/78/606875078.db2.gz BXKCPWKBTCHRIK-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1Br ZINC000822977910 606875080 /nfs/dbraw/zinc/87/50/80/606875080.db2.gz BXKCPWKBTCHRIK-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000822206147 606876828 /nfs/dbraw/zinc/87/68/28/606876828.db2.gz VYTQQAULJIUWSS-AUUYWEPGSA-N -1 3 395.438 3.415 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000822206147 606876830 /nfs/dbraw/zinc/87/68/30/606876830.db2.gz VYTQQAULJIUWSS-AUUYWEPGSA-N -1 3 395.438 3.415 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1cc2ccccc2s1 ZINC000823689654 606878347 /nfs/dbraw/zinc/87/83/47/606878347.db2.gz IGXTUCACRYYBIV-OAHLLOKOSA-N -1 3 378.461 3.111 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1cc2ccccc2s1 ZINC000823689654 606878348 /nfs/dbraw/zinc/87/83/48/606878348.db2.gz IGXTUCACRYYBIV-OAHLLOKOSA-N -1 3 378.461 3.111 20 0 GGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820685670 606879210 /nfs/dbraw/zinc/87/92/10/606879210.db2.gz UUQDMMNYYMFCPS-GASCZTMLSA-N -1 3 377.448 3.459 20 0 GGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820685670 606879212 /nfs/dbraw/zinc/87/92/12/606879212.db2.gz UUQDMMNYYMFCPS-GASCZTMLSA-N -1 3 377.448 3.459 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820685336 606879377 /nfs/dbraw/zinc/87/93/77/606879377.db2.gz UCIQHZQWXQYVAS-HUUCEWRRSA-N -1 3 377.448 3.459 20 0 GGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823146195 606880045 /nfs/dbraw/zinc/88/00/45/606880045.db2.gz VHNANUHTLBEPGO-HNNXBMFYSA-N -1 3 397.385 3.321 20 0 GGADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823146195 606880046 /nfs/dbraw/zinc/88/00/46/606880046.db2.gz VHNANUHTLBEPGO-HNNXBMFYSA-N -1 3 397.385 3.321 20 0 GGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820881963 606882930 /nfs/dbraw/zinc/88/29/30/606882930.db2.gz GIPGGWZBIVXQGH-JTQLQIEISA-N -1 3 394.403 3.426 20 0 GGADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820881963 606882932 /nfs/dbraw/zinc/88/29/32/606882932.db2.gz GIPGGWZBIVXQGH-JTQLQIEISA-N -1 3 394.403 3.426 20 0 GGADHM O=S(=O)(Oc1ccc2ccccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823594160 606883835 /nfs/dbraw/zinc/88/38/35/606883835.db2.gz CIUQYEGMYRDAQN-UHFFFAOYSA-N -1 3 388.355 3.066 20 0 GGADHM O=S(=O)(Oc1ccc2ccccc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823594160 606883836 /nfs/dbraw/zinc/88/38/36/606883836.db2.gz CIUQYEGMYRDAQN-UHFFFAOYSA-N -1 3 388.355 3.066 20 0 GGADHM O=C(OCCOCc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823405379 606894587 /nfs/dbraw/zinc/89/45/87/606894587.db2.gz PAPURZVIUYMYCN-UHFFFAOYSA-N -1 3 392.337 3.259 20 0 GGADHM O=C(OCCOCc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823405379 606894589 /nfs/dbraw/zinc/89/45/89/606894589.db2.gz PAPURZVIUYMYCN-UHFFFAOYSA-N -1 3 392.337 3.259 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820386433 606918689 /nfs/dbraw/zinc/91/86/89/606918689.db2.gz YUUGDUXRJULCCW-ZDUSSCGKSA-N -1 3 398.467 3.335 20 0 GGADHM CCOCCC1(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000821373771 606922753 /nfs/dbraw/zinc/92/27/53/606922753.db2.gz MDUDXKQPAAFNAE-HNNXBMFYSA-N -1 3 388.468 3.164 20 0 GGADHM CCOCCC1(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000821373771 606922755 /nfs/dbraw/zinc/92/27/55/606922755.db2.gz MDUDXKQPAAFNAE-HNNXBMFYSA-N -1 3 388.468 3.164 20 0 GGADHM CCc1nnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1CC ZINC000821536672 606924256 /nfs/dbraw/zinc/92/42/56/606924256.db2.gz XKXJPBNJEVPKHU-BEFAXECRSA-N -1 3 393.495 3.361 20 0 GGADHM CCc1nnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1CC ZINC000821536672 606924257 /nfs/dbraw/zinc/92/42/57/606924257.db2.gz XKXJPBNJEVPKHU-BEFAXECRSA-N -1 3 393.495 3.361 20 0 GGADHM O=C(CCc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1)N1CCCC1 ZINC000822983263 606929928 /nfs/dbraw/zinc/92/99/28/606929928.db2.gz OAVNSGDDERYCRB-UHFFFAOYSA-N -1 3 394.454 3.173 20 0 GGADHM O=C(CCc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1)N1CCCC1 ZINC000822983263 606929929 /nfs/dbraw/zinc/92/99/29/606929929.db2.gz OAVNSGDDERYCRB-UHFFFAOYSA-N -1 3 394.454 3.173 20 0 GGADHM CCc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1CC ZINC000821527816 606930669 /nfs/dbraw/zinc/93/06/69/606930669.db2.gz GQWPSBKUSZOQJF-MRXNPFEDSA-N -1 3 399.886 3.013 20 0 GGADHM CCc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1CC ZINC000821527816 606930671 /nfs/dbraw/zinc/93/06/71/606930671.db2.gz GQWPSBKUSZOQJF-MRXNPFEDSA-N -1 3 399.886 3.013 20 0 GGADHM COc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000821720273 606931399 /nfs/dbraw/zinc/93/13/99/606931399.db2.gz QBUVZHGOFFSYIZ-UHFFFAOYSA-N -1 3 383.305 3.367 20 0 GGADHM COc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000821720273 606931401 /nfs/dbraw/zinc/93/14/01/606931401.db2.gz QBUVZHGOFFSYIZ-UHFFFAOYSA-N -1 3 383.305 3.367 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1)CCC2 ZINC000821509669 606937838 /nfs/dbraw/zinc/93/78/38/606937838.db2.gz KZDCPQYGYNAPCV-LPQFERQCSA-N -1 3 394.504 3.435 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1)CCC2 ZINC000821509669 606937839 /nfs/dbraw/zinc/93/78/39/606937839.db2.gz KZDCPQYGYNAPCV-LPQFERQCSA-N -1 3 394.504 3.435 20 0 GGADHM C[C@@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455095 606939511 /nfs/dbraw/zinc/93/95/11/606939511.db2.gz CQODCYVDRICFNE-GFCCVEGCSA-N -1 3 386.481 3.007 20 0 GGADHM C[C@@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455095 606939512 /nfs/dbraw/zinc/93/95/12/606939512.db2.gz CQODCYVDRICFNE-GFCCVEGCSA-N -1 3 386.481 3.007 20 0 GGADHM OCC[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823713085 606939550 /nfs/dbraw/zinc/93/95/50/606939550.db2.gz CRJAIXFZNSKWDB-ZDUSSCGKSA-N -1 3 377.370 3.464 20 0 GGADHM OCC[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823713085 606939551 /nfs/dbraw/zinc/93/95/51/606939551.db2.gz CRJAIXFZNSKWDB-ZDUSSCGKSA-N -1 3 377.370 3.464 20 0 GGADHM CCc1nnc(N2CCC(c3ccc(OC)cc3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821522531 606939833 /nfs/dbraw/zinc/93/98/33/606939833.db2.gz LSTWENUGGBABGZ-UHFFFAOYSA-N -1 3 393.495 3.174 20 0 GGADHM CCc1nnc(N2CCC(c3ccc(OC)cc3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821522531 606939835 /nfs/dbraw/zinc/93/98/35/606939835.db2.gz LSTWENUGGBABGZ-UHFFFAOYSA-N -1 3 393.495 3.174 20 0 GGADHM CCc1nnc(NCc2coc(-c3ccc(C)cc3)n2)c(-c2nnn[n-]2)c1CC ZINC000821542071 606940474 /nfs/dbraw/zinc/94/04/74/606940474.db2.gz IDDRMFZHLJMHGI-UHFFFAOYSA-N -1 3 390.451 3.357 20 0 GGADHM CCc1nnc(NCc2coc(-c3ccc(C)cc3)n2)c(-c2nn[n-]n2)c1CC ZINC000821542071 606940476 /nfs/dbraw/zinc/94/04/76/606940476.db2.gz IDDRMFZHLJMHGI-UHFFFAOYSA-N -1 3 390.451 3.357 20 0 GGADHM O=C(Nc1ccccc1)c1ccc(Sc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000823367740 606945551 /nfs/dbraw/zinc/94/55/51/606945551.db2.gz OPISJQHLYXZQPE-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM O=C(Nc1ccccc1)c1ccc(Sc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000823367740 606945552 /nfs/dbraw/zinc/94/55/52/606945552.db2.gz OPISJQHLYXZQPE-UHFFFAOYSA-N -1 3 375.417 3.060 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cnco2)cc1 ZINC000823400313 606947738 /nfs/dbraw/zinc/94/77/38/606947738.db2.gz AZACPEANSLHBIE-UHFFFAOYSA-N -1 3 391.387 3.148 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cnco2)cc1 ZINC000823400313 606947739 /nfs/dbraw/zinc/94/77/39/606947739.db2.gz AZACPEANSLHBIE-UHFFFAOYSA-N -1 3 391.387 3.148 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCC2 ZINC000821357274 606947869 /nfs/dbraw/zinc/94/78/69/606947869.db2.gz BRMDUBFZIUJCNL-LSDHHAIUSA-N -1 3 390.875 3.332 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC000821357274 606947871 /nfs/dbraw/zinc/94/78/71/606947871.db2.gz BRMDUBFZIUJCNL-LSDHHAIUSA-N -1 3 390.875 3.332 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)no1 ZINC000823401603 606948008 /nfs/dbraw/zinc/94/80/08/606948008.db2.gz YNQXEWCNYKXYRH-UHFFFAOYSA-N -1 3 391.387 3.148 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)no1 ZINC000823401603 606948010 /nfs/dbraw/zinc/94/80/10/606948010.db2.gz YNQXEWCNYKXYRH-UHFFFAOYSA-N -1 3 391.387 3.148 20 0 GGADHM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820232305 606948331 /nfs/dbraw/zinc/94/83/31/606948331.db2.gz FRQGOHAWKXOYQR-CZUORRHYSA-N -1 3 397.483 3.057 20 0 GGADHM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820232305 606948333 /nfs/dbraw/zinc/94/83/33/606948333.db2.gz FRQGOHAWKXOYQR-CZUORRHYSA-N -1 3 397.483 3.057 20 0 GGADHM COc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821772514 606948545 /nfs/dbraw/zinc/94/85/45/606948545.db2.gz DFXSSHBCVNHZAD-UHFFFAOYSA-N -1 3 388.811 3.155 20 0 GGADHM COc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821772514 606948547 /nfs/dbraw/zinc/94/85/47/606948547.db2.gz DFXSSHBCVNHZAD-UHFFFAOYSA-N -1 3 388.811 3.155 20 0 GGADHM CC(C)c1ncc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)s1 ZINC000820206249 606950223 /nfs/dbraw/zinc/95/02/23/606950223.db2.gz GSGOFWORWNWLFP-UHFFFAOYSA-N -1 3 399.524 3.020 20 0 GGADHM CC(C)c1ncc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)s1 ZINC000820206249 606950224 /nfs/dbraw/zinc/95/02/24/606950224.db2.gz GSGOFWORWNWLFP-UHFFFAOYSA-N -1 3 399.524 3.020 20 0 GGADHM C[C@@]1(CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCCS1 ZINC000820618849 606954203 /nfs/dbraw/zinc/95/42/03/606954203.db2.gz QKCGZPPTKQSZNF-IBGZPJMESA-N -1 3 399.476 3.054 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)O1 ZINC000820674298 606956756 /nfs/dbraw/zinc/95/67/56/606956756.db2.gz CNUFJCIWGAFYQT-MFKMUULPSA-N -1 3 381.461 3.200 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)O1 ZINC000820674298 606956758 /nfs/dbraw/zinc/95/67/58/606956758.db2.gz CNUFJCIWGAFYQT-MFKMUULPSA-N -1 3 381.461 3.200 20 0 GGADHM CC[C@@]1(C)CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820949521 606956990 /nfs/dbraw/zinc/95/69/90/606956990.db2.gz BWVSTYRRTRLKCS-FQEVSTJZSA-N -1 3 381.436 3.301 20 0 GGADHM CC[C@@]1(C)CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820949521 606956991 /nfs/dbraw/zinc/95/69/91/606956991.db2.gz BWVSTYRRTRLKCS-FQEVSTJZSA-N -1 3 381.436 3.301 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000820950126 606957686 /nfs/dbraw/zinc/95/76/86/606957686.db2.gz JXMZWVBLIPROOW-HXUWFJFHSA-N -1 3 378.436 3.316 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000820950126 606957688 /nfs/dbraw/zinc/95/76/88/606957688.db2.gz JXMZWVBLIPROOW-HXUWFJFHSA-N -1 3 378.436 3.316 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000821346279 606958904 /nfs/dbraw/zinc/95/89/04/606958904.db2.gz GDAJPRAJNGGCAU-VIFPVBQESA-N -1 3 392.872 3.351 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000821346279 606958905 /nfs/dbraw/zinc/95/89/05/606958905.db2.gz GDAJPRAJNGGCAU-VIFPVBQESA-N -1 3 392.872 3.351 20 0 GGADHM CN(C(=O)c1cc(F)c(F)c(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573508 606959074 /nfs/dbraw/zinc/95/90/74/606959074.db2.gz SOBRVHPLXLHNSB-UHFFFAOYSA-N -1 3 385.708 3.353 20 0 GGADHM CN(C(=O)c1cc(F)c(F)c(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573508 606959076 /nfs/dbraw/zinc/95/90/76/606959076.db2.gz SOBRVHPLXLHNSB-UHFFFAOYSA-N -1 3 385.708 3.353 20 0 GGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822225246 606959800 /nfs/dbraw/zinc/95/98/00/606959800.db2.gz VAVQUGSWLZLOLC-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(Br)c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822225246 606959802 /nfs/dbraw/zinc/95/98/02/606959802.db2.gz VAVQUGSWLZLOLC-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CN(Cc1ccc(Br)s1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821611015 606959924 /nfs/dbraw/zinc/95/99/24/606959924.db2.gz NQZQSAVISWRHLE-UHFFFAOYSA-N -1 3 382.262 3.462 20 0 GGADHM Cc1ccn(-c2ccc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)cc2)n1 ZINC000822369983 606961367 /nfs/dbraw/zinc/96/13/67/606961367.db2.gz QOKXIWYIFPCWGH-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM Cc1ccn(-c2ccc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)cc2)n1 ZINC000822369983 606961369 /nfs/dbraw/zinc/96/13/69/606961369.db2.gz QOKXIWYIFPCWGH-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM CN(C(=O)COc1cccc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571066 606962723 /nfs/dbraw/zinc/96/27/23/606962723.db2.gz YJZPPQFYIOKBID-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)COc1cccc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571066 606962725 /nfs/dbraw/zinc/96/27/25/606962725.db2.gz YJZPPQFYIOKBID-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)c1cnn(-c2ccccc2F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574647 606963433 /nfs/dbraw/zinc/96/34/33/606963433.db2.gz QFHWGHPHIMUHKQ-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM CN(C(=O)c1cnn(-c2ccccc2F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574647 606963435 /nfs/dbraw/zinc/96/34/35/606963435.db2.gz QFHWGHPHIMUHKQ-UHFFFAOYSA-N -1 3 397.801 3.122 20 0 GGADHM O=C(Nc1cc(F)cc(Cl)c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823299500 606966850 /nfs/dbraw/zinc/96/68/50/606966850.db2.gz ZPQOWLDGPMWQPT-MRXNPFEDSA-N -1 3 386.818 3.267 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823479023 606970648 /nfs/dbraw/zinc/97/06/48/606970648.db2.gz ZZCGRTKLLYMTOJ-VQTJNVASSA-N -1 3 391.475 3.375 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823479023 606970651 /nfs/dbraw/zinc/97/06/51/606970651.db2.gz ZZCGRTKLLYMTOJ-VQTJNVASSA-N -1 3 391.475 3.375 20 0 GGADHM CN(C(=O)c1csc(Cc2ccccc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000821574579 606971804 /nfs/dbraw/zinc/97/18/04/606971804.db2.gz MYEVUJNHPYAHAS-UHFFFAOYSA-N -1 3 376.445 3.191 20 0 GGADHM CN(C(=O)c1csc(Cc2ccccc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000821574579 606971806 /nfs/dbraw/zinc/97/18/06/606971806.db2.gz MYEVUJNHPYAHAS-UHFFFAOYSA-N -1 3 376.445 3.191 20 0 GGADHM Cc1ccc2ccccc2c1CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822280820 606981179 /nfs/dbraw/zinc/98/11/79/606981179.db2.gz XVEHSSCVNQHSCN-UHFFFAOYSA-N -1 3 382.420 3.441 20 0 GGADHM Cc1ccc2ccccc2c1CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822280820 606981181 /nfs/dbraw/zinc/98/11/81/606981181.db2.gz XVEHSSCVNQHSCN-UHFFFAOYSA-N -1 3 382.420 3.441 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1ccnc(Cl)c1 ZINC000821699093 606982258 /nfs/dbraw/zinc/98/22/58/606982258.db2.gz BHESTZXTXBLJMG-UHFFFAOYSA-N -1 3 396.632 3.265 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1ccnc(Cl)c1 ZINC000821699093 606982259 /nfs/dbraw/zinc/98/22/59/606982259.db2.gz BHESTZXTXBLJMG-UHFFFAOYSA-N -1 3 396.632 3.265 20 0 GGADHM C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000820735413 606984210 /nfs/dbraw/zinc/98/42/10/606984210.db2.gz RXUDKZKZPWBBEE-CQSZACIVSA-N -1 3 377.448 3.170 20 0 GGADHM C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000820735413 606984211 /nfs/dbraw/zinc/98/42/11/606984211.db2.gz RXUDKZKZPWBBEE-CQSZACIVSA-N -1 3 377.448 3.170 20 0 GGADHM CCCc1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000821139308 606995150 /nfs/dbraw/zinc/99/51/50/606995150.db2.gz SMYCQMIVEXWFIH-UHFFFAOYSA-N -1 3 385.399 3.154 20 0 GGADHM CCCc1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000821139308 606995152 /nfs/dbraw/zinc/99/51/52/606995152.db2.gz SMYCQMIVEXWFIH-UHFFFAOYSA-N -1 3 385.399 3.154 20 0 GGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822240258 606995512 /nfs/dbraw/zinc/99/55/12/606995512.db2.gz ZQKQKMAALOQMJT-LLVKDONJSA-N -1 3 390.802 3.478 20 0 GGADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822240258 606995513 /nfs/dbraw/zinc/99/55/13/606995513.db2.gz ZQKQKMAALOQMJT-LLVKDONJSA-N -1 3 390.802 3.478 20 0 GGADHM Cc1cc(Br)oc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822161779 606995591 /nfs/dbraw/zinc/99/55/91/606995591.db2.gz UFEGIZWTBWNSQP-UHFFFAOYSA-N -1 3 381.161 3.027 20 0 GGADHM Cc1cc(Br)oc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822161779 606995592 /nfs/dbraw/zinc/99/55/92/606995592.db2.gz UFEGIZWTBWNSQP-UHFFFAOYSA-N -1 3 381.161 3.027 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000819997768 606997603 /nfs/dbraw/zinc/99/76/03/606997603.db2.gz ZGAZREASQBOGFY-UHFFFAOYSA-N -1 3 395.438 3.011 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000819997768 606997604 /nfs/dbraw/zinc/99/76/04/606997604.db2.gz ZGAZREASQBOGFY-UHFFFAOYSA-N -1 3 395.438 3.011 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(Cl)s1 ZINC000819996931 606997819 /nfs/dbraw/zinc/99/78/19/606997819.db2.gz NVQJIUZUNWDLRY-UHFFFAOYSA-N -1 3 391.884 3.098 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(Cl)s1 ZINC000819996931 606997821 /nfs/dbraw/zinc/99/78/21/606997821.db2.gz NVQJIUZUNWDLRY-UHFFFAOYSA-N -1 3 391.884 3.098 20 0 GGADHM O=C(CNc1cccc(C(F)(F)F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823013901 607000905 /nfs/dbraw/zinc/00/09/05/607000905.db2.gz ARLIISXKIFCGSK-UHFFFAOYSA-N -1 3 395.316 3.180 20 0 GGADHM O=C(CNc1cccc(C(F)(F)F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823013901 607000907 /nfs/dbraw/zinc/00/09/07/607000907.db2.gz ARLIISXKIFCGSK-UHFFFAOYSA-N -1 3 395.316 3.180 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822959108 607004424 /nfs/dbraw/zinc/00/44/24/607004424.db2.gz RVEJCCCTIOMYSP-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM O=C(CCCc1ccc(F)c(F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822959108 607004426 /nfs/dbraw/zinc/00/44/26/607004426.db2.gz RVEJCCCTIOMYSP-UHFFFAOYSA-N -1 3 376.338 3.350 20 0 GGADHM O=c1nc(CSc2cccc(-c3nnn[n-]3)c2)[nH]c2sc3c(c21)CCC3 ZINC000823656975 607016236 /nfs/dbraw/zinc/01/62/36/607016236.db2.gz KXJTUKRRQCFFDM-UHFFFAOYSA-N -1 3 382.474 3.358 20 0 GGADHM O=c1nc(CSc2cccc(-c3nn[n-]n3)c2)[nH]c2sc3c(c21)CCC3 ZINC000823656975 607016237 /nfs/dbraw/zinc/01/62/37/607016237.db2.gz KXJTUKRRQCFFDM-UHFFFAOYSA-N -1 3 382.474 3.358 20 0 GGADHM COc1ccc(C)cc1CSCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821782504 607016831 /nfs/dbraw/zinc/01/68/31/607016831.db2.gz GITKNUQMOYDSOK-UHFFFAOYSA-N -1 3 383.477 3.446 20 0 GGADHM COc1ccc(C)cc1CSCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821782504 607016832 /nfs/dbraw/zinc/01/68/32/607016832.db2.gz GITKNUQMOYDSOK-UHFFFAOYSA-N -1 3 383.477 3.446 20 0 GGADHM CO[C@@H](C)c1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821673566 607020921 /nfs/dbraw/zinc/02/09/21/607020921.db2.gz FPSZZICJPWFLNQ-ZDUSSCGKSA-N -1 3 381.436 3.370 20 0 GGADHM CO[C@@H](C)c1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821673566 607020923 /nfs/dbraw/zinc/02/09/23/607020923.db2.gz FPSZZICJPWFLNQ-ZDUSSCGKSA-N -1 3 381.436 3.370 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000819992453 607021880 /nfs/dbraw/zinc/02/18/80/607021880.db2.gz XORGNQPTEBJINP-MRXNPFEDSA-N -1 3 395.438 3.179 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000819992453 607021883 /nfs/dbraw/zinc/02/18/83/607021883.db2.gz XORGNQPTEBJINP-MRXNPFEDSA-N -1 3 395.438 3.179 20 0 GGADHM CC[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000820915287 607023088 /nfs/dbraw/zinc/02/30/88/607023088.db2.gz UVNPPCOMSJNFDN-AWEZNQCLSA-N -1 3 386.481 3.057 20 0 GGADHM CC[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000820915287 607023090 /nfs/dbraw/zinc/02/30/90/607023090.db2.gz UVNPPCOMSJNFDN-AWEZNQCLSA-N -1 3 386.481 3.057 20 0 GGADHM CC(C)c1nnc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000820206639 607034650 /nfs/dbraw/zinc/03/46/50/607034650.db2.gz UCVGRTTWRCKOGK-UHFFFAOYSA-N -1 3 382.396 3.408 20 0 GGADHM CC(C)c1nnc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000820206639 607034652 /nfs/dbraw/zinc/03/46/52/607034652.db2.gz UCVGRTTWRCKOGK-UHFFFAOYSA-N -1 3 382.396 3.408 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820668393 607035036 /nfs/dbraw/zinc/03/50/36/607035036.db2.gz SFBNKGNUNQWIOF-QAPCUYQASA-N -1 3 391.475 3.429 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820668393 607035038 /nfs/dbraw/zinc/03/50/38/607035038.db2.gz SFBNKGNUNQWIOF-QAPCUYQASA-N -1 3 391.475 3.429 20 0 GGADHM O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823146099 607035659 /nfs/dbraw/zinc/03/56/59/607035659.db2.gz UKHDQFGQEQUEFT-QGZVFWFLSA-N -1 3 375.432 3.433 20 0 GGADHM O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823146099 607035660 /nfs/dbraw/zinc/03/56/60/607035660.db2.gz UKHDQFGQEQUEFT-QGZVFWFLSA-N -1 3 375.432 3.433 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000823359442 607036930 /nfs/dbraw/zinc/03/69/30/607036930.db2.gz OHZXOMKDGPUQEO-DLBZAZTESA-N -1 3 396.451 3.360 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000823359442 607036931 /nfs/dbraw/zinc/03/69/31/607036931.db2.gz OHZXOMKDGPUQEO-DLBZAZTESA-N -1 3 396.451 3.360 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(NCC(F)(F)F)s2)c1 ZINC000822758713 607040389 /nfs/dbraw/zinc/04/03/89/607040389.db2.gz WZFDUMHDCGYMGX-UHFFFAOYSA-N -1 3 391.379 3.124 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(NCC(F)(F)F)s2)c1 ZINC000822758713 607040392 /nfs/dbraw/zinc/04/03/92/607040392.db2.gz WZFDUMHDCGYMGX-UHFFFAOYSA-N -1 3 391.379 3.124 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000821002874 607041014 /nfs/dbraw/zinc/04/10/14/607041014.db2.gz ZQWCHZPDNIFODO-HNNXBMFYSA-N -1 3 383.477 3.151 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000821002874 607041015 /nfs/dbraw/zinc/04/10/15/607041015.db2.gz ZQWCHZPDNIFODO-HNNXBMFYSA-N -1 3 383.477 3.151 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000821431308 607041620 /nfs/dbraw/zinc/04/16/20/607041620.db2.gz PCFICESDWGPQFB-QGZVFWFLSA-N -1 3 395.463 3.220 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000821431308 607041621 /nfs/dbraw/zinc/04/16/21/607041621.db2.gz PCFICESDWGPQFB-QGZVFWFLSA-N -1 3 395.463 3.220 20 0 GGADHM Cc1ccc([C@H](C)CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822229318 607041980 /nfs/dbraw/zinc/04/19/80/607041980.db2.gz RODKKHUBBRMDTQ-OAHLLOKOSA-N -1 3 379.464 3.252 20 0 GGADHM Cc1ccc([C@H](C)CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822229318 607041982 /nfs/dbraw/zinc/04/19/82/607041982.db2.gz RODKKHUBBRMDTQ-OAHLLOKOSA-N -1 3 379.464 3.252 20 0 GGADHM COc1ccc(C=O)cc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821786594 607043108 /nfs/dbraw/zinc/04/31/08/607043108.db2.gz GDCMLYAPAXRRFZ-UHFFFAOYSA-N -1 3 389.209 3.029 20 0 GGADHM COc1ccc(C=O)cc1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821786594 607043110 /nfs/dbraw/zinc/04/31/10/607043110.db2.gz GDCMLYAPAXRRFZ-UHFFFAOYSA-N -1 3 389.209 3.029 20 0 GGADHM Brc1ccc(Oc2ncnc3sccc32)c(-c2nnn[n-]2)c1 ZINC000819688563 607045378 /nfs/dbraw/zinc/04/53/78/607045378.db2.gz JTAWAZWOXKYWJN-UHFFFAOYSA-N -1 3 375.211 3.426 20 0 GGADHM Brc1ccc(Oc2ncnc3sccc32)c(-c2nn[n-]n2)c1 ZINC000819688563 607045380 /nfs/dbraw/zinc/04/53/80/607045380.db2.gz JTAWAZWOXKYWJN-UHFFFAOYSA-N -1 3 375.211 3.426 20 0 GGADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C[C@@H]1n1ccnc1 ZINC000820726884 607046720 /nfs/dbraw/zinc/04/67/20/607046720.db2.gz CNXWAGSMYPQEKK-PXAZEXFGSA-N -1 3 394.870 3.352 20 0 GGADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C[C@@H]1n1ccnc1 ZINC000820726884 607046721 /nfs/dbraw/zinc/04/67/21/607046721.db2.gz CNXWAGSMYPQEKK-PXAZEXFGSA-N -1 3 394.870 3.352 20 0 GGADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821127604 607047625 /nfs/dbraw/zinc/04/76/25/607047625.db2.gz KOOAAUJFRUPJPA-UHFFFAOYSA-N -1 3 393.373 3.298 20 0 GGADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821127604 607047627 /nfs/dbraw/zinc/04/76/27/607047627.db2.gz KOOAAUJFRUPJPA-UHFFFAOYSA-N -1 3 393.373 3.298 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234646 607048003 /nfs/dbraw/zinc/04/80/03/607048003.db2.gz CBTFSKIBVPSTCK-ZDUSSCGKSA-N -1 3 383.452 3.063 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234646 607048005 /nfs/dbraw/zinc/04/80/05/607048005.db2.gz CBTFSKIBVPSTCK-ZDUSSCGKSA-N -1 3 383.452 3.063 20 0 GGADHM C[C@H](CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820262019 607048691 /nfs/dbraw/zinc/04/86/91/607048691.db2.gz QNOIDEIGBODGPI-CQSZACIVSA-N -1 3 397.504 3.321 20 0 GGADHM C[C@H](CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820262019 607048692 /nfs/dbraw/zinc/04/86/92/607048692.db2.gz QNOIDEIGBODGPI-CQSZACIVSA-N -1 3 397.504 3.321 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820643304 607055576 /nfs/dbraw/zinc/05/55/76/607055576.db2.gz UFTSAFIOMBGXAF-BEFAXECRSA-N -1 3 391.475 3.429 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820643304 607055577 /nfs/dbraw/zinc/05/55/77/607055577.db2.gz UFTSAFIOMBGXAF-BEFAXECRSA-N -1 3 391.475 3.429 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823092569 607056590 /nfs/dbraw/zinc/05/65/90/607056590.db2.gz GTPICGTYHVACBB-UHFFFAOYSA-N -1 3 388.258 3.301 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823092569 607056592 /nfs/dbraw/zinc/05/65/92/607056592.db2.gz GTPICGTYHVACBB-UHFFFAOYSA-N -1 3 388.258 3.301 20 0 GGADHM CCCc1ccc([C@H](C)N(CC(N)=O)Cc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821139252 607059833 /nfs/dbraw/zinc/05/98/33/607059833.db2.gz RLGHZRJPVYKQGX-AWEZNQCLSA-N -1 3 396.470 3.007 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C(F)F)CC1 ZINC000820151305 607064325 /nfs/dbraw/zinc/06/43/25/607064325.db2.gz GRKAVFNGVXGBJZ-UHFFFAOYSA-N -1 3 380.399 3.163 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C(F)F)CC1 ZINC000820151305 607064326 /nfs/dbraw/zinc/06/43/26/607064326.db2.gz GRKAVFNGVXGBJZ-UHFFFAOYSA-N -1 3 380.399 3.163 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820958714 607064989 /nfs/dbraw/zinc/06/49/89/607064989.db2.gz XRLLSKVFNNGWJQ-IAOVAPTHSA-N -1 3 386.500 3.163 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820958714 607064990 /nfs/dbraw/zinc/06/49/90/607064990.db2.gz XRLLSKVFNNGWJQ-IAOVAPTHSA-N -1 3 386.500 3.163 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCO[C@H](C)[C@H]2C)cc1 ZINC000822136665 607066012 /nfs/dbraw/zinc/06/60/12/607066012.db2.gz NQENGQRUDUMHDC-HUUCEWRRSA-N -1 3 393.447 3.217 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCO[C@H](C)[C@H]2C)cc1 ZINC000822136665 607066014 /nfs/dbraw/zinc/06/60/14/607066014.db2.gz NQENGQRUDUMHDC-HUUCEWRRSA-N -1 3 393.447 3.217 20 0 GGADHM O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823140167 607067808 /nfs/dbraw/zinc/06/78/08/607067808.db2.gz QBWLKXVPKJIHLC-CYBMUJFWSA-N -1 3 397.307 3.048 20 0 GGADHM O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823140167 607067809 /nfs/dbraw/zinc/06/78/09/607067809.db2.gz QBWLKXVPKJIHLC-CYBMUJFWSA-N -1 3 397.307 3.048 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822927995 607074074 /nfs/dbraw/zinc/07/40/74/607074074.db2.gz CEMGASOHWRFAHB-CSKARUKUSA-N -1 3 375.363 3.311 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822927995 607074076 /nfs/dbraw/zinc/07/40/76/607074076.db2.gz CEMGASOHWRFAHB-CSKARUKUSA-N -1 3 375.363 3.311 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820550611 607076505 /nfs/dbraw/zinc/07/65/05/607076505.db2.gz XMDYZQOVHNFQLE-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820550611 607076506 /nfs/dbraw/zinc/07/65/06/607076506.db2.gz XMDYZQOVHNFQLE-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cnc(-c2ccccc2)s1 ZINC000823417528 607079637 /nfs/dbraw/zinc/07/96/37/607079637.db2.gz CFWXVDYKQXIIFH-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cnc(-c2ccccc2)s1 ZINC000823417528 607079638 /nfs/dbraw/zinc/07/96/38/607079638.db2.gz CFWXVDYKQXIIFH-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820821919 607082301 /nfs/dbraw/zinc/08/23/01/607082301.db2.gz WDVWYFXMNVSKAR-VIFPVBQESA-N -1 3 389.246 3.328 20 0 GGADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820821919 607082302 /nfs/dbraw/zinc/08/23/02/607082302.db2.gz WDVWYFXMNVSKAR-VIFPVBQESA-N -1 3 389.246 3.328 20 0 GGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)C(=O)c1cccc(F)c1 ZINC000820225472 607085761 /nfs/dbraw/zinc/08/57/61/607085761.db2.gz JNWPKCIBBHOQHT-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)C(=O)c1cccc(F)c1 ZINC000820225472 607085764 /nfs/dbraw/zinc/08/57/64/607085764.db2.gz JNWPKCIBBHOQHT-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000820397838 607089678 /nfs/dbraw/zinc/08/96/78/607089678.db2.gz VCLSQEVFUFQTOP-GFCCVEGCSA-N -1 3 381.411 3.286 20 0 GGADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000820397838 607089680 /nfs/dbraw/zinc/08/96/80/607089680.db2.gz VCLSQEVFUFQTOP-GFCCVEGCSA-N -1 3 381.411 3.286 20 0 GGADHM C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820342154 607096750 /nfs/dbraw/zinc/09/67/50/607096750.db2.gz UFUJCOWUQUJUHM-CYBMUJFWSA-N -1 3 386.406 3.405 20 0 GGADHM C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820342154 607096751 /nfs/dbraw/zinc/09/67/51/607096751.db2.gz UFUJCOWUQUJUHM-CYBMUJFWSA-N -1 3 386.406 3.405 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000821293367 607100311 /nfs/dbraw/zinc/10/03/11/607100311.db2.gz KRQQXOUVTYFQAA-NTMALXAHSA-N -1 3 385.431 3.499 20 0 GGADHM O=C(NOCC(F)(F)F)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823284466 607100607 /nfs/dbraw/zinc/10/06/07/607100607.db2.gz HQXYIHNQAMRENS-UHFFFAOYSA-N -1 3 395.366 3.242 20 0 GGADHM O=C(NOCC(F)(F)F)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823284466 607100608 /nfs/dbraw/zinc/10/06/08/607100608.db2.gz HQXYIHNQAMRENS-UHFFFAOYSA-N -1 3 395.366 3.242 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOc1ccccc1F ZINC000821304219 607100817 /nfs/dbraw/zinc/10/08/17/607100817.db2.gz BPDGSDZCSIEVJS-UHFFFAOYSA-N -1 3 384.415 3.235 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000821294594 607101600 /nfs/dbraw/zinc/10/16/00/607101600.db2.gz VTBWGLAHHMPYIZ-LLVKDONJSA-N -1 3 386.843 3.358 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1oc(Br)cc1C ZINC000821309544 607102426 /nfs/dbraw/zinc/10/24/26/607102426.db2.gz OXAGBFSHJKHXKD-UHFFFAOYSA-N -1 3 391.229 3.215 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2cccc(C)n2)c(-c2nnn[n-]2)c1C ZINC000822299698 607105075 /nfs/dbraw/zinc/10/50/75/607105075.db2.gz RKQCXKPQGFQXJS-OAHLLOKOSA-N -1 3 397.508 3.024 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2cccc(C)n2)c(-c2nn[n-]n2)c1C ZINC000822299698 607105076 /nfs/dbraw/zinc/10/50/76/607105076.db2.gz RKQCXKPQGFQXJS-OAHLLOKOSA-N -1 3 397.508 3.024 20 0 GGADHM O=C(CSc1nccc2ccccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823070564 607113898 /nfs/dbraw/zinc/11/38/98/607113898.db2.gz FHWQEUCICIDNNY-UHFFFAOYSA-N -1 3 395.419 3.390 20 0 GGADHM O=C(CSc1nccc2ccccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823070564 607113899 /nfs/dbraw/zinc/11/38/99/607113899.db2.gz FHWQEUCICIDNNY-UHFFFAOYSA-N -1 3 395.419 3.390 20 0 GGADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820777193 607116603 /nfs/dbraw/zinc/11/66/03/607116603.db2.gz QCVHFEHJMPMNTL-YVEFUNNKSA-N -1 3 378.461 3.443 20 0 GGADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820777193 607116605 /nfs/dbraw/zinc/11/66/05/607116605.db2.gz QCVHFEHJMPMNTL-YVEFUNNKSA-N -1 3 378.461 3.443 20 0 GGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820776680 607116807 /nfs/dbraw/zinc/11/68/07/607116807.db2.gz MGZFPIYTTQNYEO-JOYOIKCWSA-N -1 3 396.398 3.308 20 0 GGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820776680 607116813 /nfs/dbraw/zinc/11/68/13/607116813.db2.gz MGZFPIYTTQNYEO-JOYOIKCWSA-N -1 3 396.398 3.308 20 0 GGADHM COc1cc(N[C@@H]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821719294 607118703 /nfs/dbraw/zinc/11/87/03/607118703.db2.gz AMKIINPNGJAIDN-CQSZACIVSA-N -1 3 398.442 3.104 20 0 GGADHM COc1cc(N[C@@H]2CCCN(c3ccc(F)cc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821719294 607118704 /nfs/dbraw/zinc/11/87/04/607118704.db2.gz AMKIINPNGJAIDN-CQSZACIVSA-N -1 3 398.442 3.104 20 0 GGADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000822500895 607119662 /nfs/dbraw/zinc/11/96/62/607119662.db2.gz LHEGKRQJFIYMGX-OAHLLOKOSA-N -1 3 386.891 3.418 20 0 GGADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000822500895 607119664 /nfs/dbraw/zinc/11/96/64/607119664.db2.gz LHEGKRQJFIYMGX-OAHLLOKOSA-N -1 3 386.891 3.418 20 0 GGADHM CC(C)c1cccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820197885 607121623 /nfs/dbraw/zinc/12/16/23/607121623.db2.gz ONRTWHRMKZESAL-UHFFFAOYSA-N -1 3 377.857 3.444 20 0 GGADHM CC(C)CN(C(=O)c1ccnc(OC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081304 607123200 /nfs/dbraw/zinc/12/32/00/607123200.db2.gz AXVLIPIXUSSNFA-UHFFFAOYSA-N -1 3 380.452 3.352 20 0 GGADHM CC(C)CN(C(=O)c1ccnc(OC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081304 607123201 /nfs/dbraw/zinc/12/32/01/607123201.db2.gz AXVLIPIXUSSNFA-UHFFFAOYSA-N -1 3 380.452 3.352 20 0 GGADHM O=S(=O)(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc2c1CCCC2 ZINC000823583684 607123337 /nfs/dbraw/zinc/12/33/37/607123337.db2.gz XZUDJVMHEKIACM-UHFFFAOYSA-N -1 3 389.868 3.200 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820232826 607129860 /nfs/dbraw/zinc/12/98/60/607129860.db2.gz HIYIYEHHHSTPEI-CABCVRRESA-N -1 3 393.447 3.204 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820232826 607129861 /nfs/dbraw/zinc/12/98/61/607129861.db2.gz HIYIYEHHHSTPEI-CABCVRRESA-N -1 3 393.447 3.204 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCOC2(CCCC2)C1 ZINC000822204194 607130557 /nfs/dbraw/zinc/13/05/57/607130557.db2.gz HKYNMMPMDQWWCZ-CQSZACIVSA-N -1 3 382.443 3.188 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCOC2(CCCC2)C1 ZINC000822204194 607130559 /nfs/dbraw/zinc/13/05/59/607130559.db2.gz HKYNMMPMDQWWCZ-CQSZACIVSA-N -1 3 382.443 3.188 20 0 GGADHM O=C(CSCc1cc2ccccc2o1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823060771 607133820 /nfs/dbraw/zinc/13/38/20/607133820.db2.gz LJYZEDAKYHOKOL-UHFFFAOYSA-N -1 3 379.445 3.163 20 0 GGADHM O=C(CSCc1cc2ccccc2o1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823060771 607133822 /nfs/dbraw/zinc/13/38/22/607133822.db2.gz LJYZEDAKYHOKOL-UHFFFAOYSA-N -1 3 379.445 3.163 20 0 GGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000820220382 607134292 /nfs/dbraw/zinc/13/42/92/607134292.db2.gz SSHDWECHAGDCEM-AWEZNQCLSA-N -1 3 395.438 3.212 20 0 GGADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000820220382 607134293 /nfs/dbraw/zinc/13/42/93/607134293.db2.gz SSHDWECHAGDCEM-AWEZNQCLSA-N -1 3 395.438 3.212 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000822220575 607137378 /nfs/dbraw/zinc/13/73/78/607137378.db2.gz XIFIZXGDIPCYGE-UHFFFAOYSA-N -1 3 392.448 3.015 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000822220575 607137380 /nfs/dbraw/zinc/13/73/80/607137380.db2.gz XIFIZXGDIPCYGE-UHFFFAOYSA-N -1 3 392.448 3.015 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](Oc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000822206188 607138160 /nfs/dbraw/zinc/13/81/60/607138160.db2.gz XKKXIWLTRZOLST-QGZVFWFLSA-N -1 3 385.374 3.028 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000822206188 607138162 /nfs/dbraw/zinc/13/81/62/607138162.db2.gz XKKXIWLTRZOLST-QGZVFWFLSA-N -1 3 385.374 3.028 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000819976257 607140983 /nfs/dbraw/zinc/14/09/83/607140983.db2.gz RUOUPEGLPLDCLB-CQSZACIVSA-N -1 3 387.488 3.037 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000819976257 607140984 /nfs/dbraw/zinc/14/09/84/607140984.db2.gz RUOUPEGLPLDCLB-CQSZACIVSA-N -1 3 387.488 3.037 20 0 GGADHM COC(=O)CCCCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821659997 607145042 /nfs/dbraw/zinc/14/50/42/607145042.db2.gz BUJNRDIDZFGDMY-UHFFFAOYSA-N -1 3 394.863 3.155 20 0 GGADHM COC(=O)CCCCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821659997 607145043 /nfs/dbraw/zinc/14/50/43/607145043.db2.gz BUJNRDIDZFGDMY-UHFFFAOYSA-N -1 3 394.863 3.155 20 0 GGADHM CC(C)(C)c1csc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820001434 607145195 /nfs/dbraw/zinc/14/51/95/607145195.db2.gz MGZPYADKKJRGHB-UHFFFAOYSA-N -1 3 386.481 3.417 20 0 GGADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823607422 607145490 /nfs/dbraw/zinc/14/54/90/607145490.db2.gz UYUNPOKMYHZSRY-KRWDZBQOSA-N -1 3 397.504 3.043 20 0 GGADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823607422 607145492 /nfs/dbraw/zinc/14/54/92/607145492.db2.gz UYUNPOKMYHZSRY-KRWDZBQOSA-N -1 3 397.504 3.043 20 0 GGADHM CC(C)N(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)CC(F)F ZINC000820116838 607147372 /nfs/dbraw/zinc/14/73/72/607147372.db2.gz PQCAITWDLBUTID-UHFFFAOYSA-N -1 3 398.483 3.111 20 0 GGADHM CC(C)N(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)CC(F)F ZINC000820116838 607147373 /nfs/dbraw/zinc/14/73/73/607147373.db2.gz PQCAITWDLBUTID-UHFFFAOYSA-N -1 3 398.483 3.111 20 0 GGADHM CCO[C@H](CC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C(C)C ZINC000821350989 607150265 /nfs/dbraw/zinc/15/02/65/607150265.db2.gz IIFSNABUXCWWNX-OAHLLOKOSA-N -1 3 386.481 3.380 20 0 GGADHM CCO[C@H](CC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(C)C ZINC000821350989 607150266 /nfs/dbraw/zinc/15/02/66/607150266.db2.gz IIFSNABUXCWWNX-OAHLLOKOSA-N -1 3 386.481 3.380 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000821608682 607153942 /nfs/dbraw/zinc/15/39/42/607153942.db2.gz QJNDLELUBNCVHL-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000821608682 607153944 /nfs/dbraw/zinc/15/39/44/607153944.db2.gz QJNDLELUBNCVHL-UHFFFAOYSA-N -1 3 379.317 3.297 20 0 GGADHM CCO[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(C)C ZINC000821351158 607154829 /nfs/dbraw/zinc/15/48/29/607154829.db2.gz MFYXUESGHIPVFF-OAHLLOKOSA-N -1 3 399.417 3.209 20 0 GGADHM CCO[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(C)C ZINC000821351158 607154830 /nfs/dbraw/zinc/15/48/30/607154830.db2.gz MFYXUESGHIPVFF-OAHLLOKOSA-N -1 3 399.417 3.209 20 0 GGADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1-n1cccn1 ZINC000820508800 607158199 /nfs/dbraw/zinc/15/81/99/607158199.db2.gz XURIWQNZSSULTH-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1-n1cccn1 ZINC000820508800 607158200 /nfs/dbraw/zinc/15/82/00/607158200.db2.gz XURIWQNZSSULTH-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)c1cc[nH]c(=O)c1 ZINC000822211690 607158278 /nfs/dbraw/zinc/15/82/78/607158278.db2.gz KZWANXXJZOKOMK-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cc[nH]c(=O)c1 ZINC000822211690 607158279 /nfs/dbraw/zinc/15/82/79/607158279.db2.gz KZWANXXJZOKOMK-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1noc(-c2ccccc2C)n1 ZINC000821699198 607158702 /nfs/dbraw/zinc/15/87/02/607158702.db2.gz GDODTSOYAYQEDU-UHFFFAOYSA-N -1 3 398.810 3.466 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1noc(-c2ccccc2C)n1 ZINC000821699198 607158704 /nfs/dbraw/zinc/15/87/04/607158704.db2.gz GDODTSOYAYQEDU-UHFFFAOYSA-N -1 3 398.810 3.466 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823009543 607165483 /nfs/dbraw/zinc/16/54/83/607165483.db2.gz MOJVHXWGKCIXSK-FQEVSTJZSA-N -1 3 390.491 3.293 20 0 GGADHM COc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821766369 607172411 /nfs/dbraw/zinc/17/24/11/607172411.db2.gz UXNZPPQATFMNAD-QWHCGFSZSA-N -1 3 391.435 3.337 20 0 GGADHM COc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821766369 607172412 /nfs/dbraw/zinc/17/24/12/607172412.db2.gz UXNZPPQATFMNAD-QWHCGFSZSA-N -1 3 391.435 3.337 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)COC(C)C ZINC000822205997 607176520 /nfs/dbraw/zinc/17/65/20/607176520.db2.gz QDZATHIHYCEGJK-LJQANCHMSA-N -1 3 399.470 3.107 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)COC(C)C ZINC000822205997 607176521 /nfs/dbraw/zinc/17/65/21/607176521.db2.gz QDZATHIHYCEGJK-LJQANCHMSA-N -1 3 399.470 3.107 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C[C@H](O)COC(C)C ZINC000822205996 607176599 /nfs/dbraw/zinc/17/65/99/607176599.db2.gz QDZATHIHYCEGJK-IBGZPJMESA-N -1 3 399.470 3.107 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)COC(C)C ZINC000822205996 607176600 /nfs/dbraw/zinc/17/66/00/607176600.db2.gz QDZATHIHYCEGJK-IBGZPJMESA-N -1 3 399.470 3.107 20 0 GGADHM CN(C)c1nc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)ns1 ZINC000821591005 607178181 /nfs/dbraw/zinc/17/81/81/607178181.db2.gz PZNXVBKQCMDZQP-UHFFFAOYSA-N -1 3 379.449 3.030 20 0 GGADHM CN(C)c1nc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)ns1 ZINC000821591005 607178182 /nfs/dbraw/zinc/17/81/82/607178182.db2.gz PZNXVBKQCMDZQP-UHFFFAOYSA-N -1 3 379.449 3.030 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCc1ccc(F)c(F)c1 ZINC000823066312 607178495 /nfs/dbraw/zinc/17/84/95/607178495.db2.gz UPUKCRONGXRXCS-UHFFFAOYSA-N -1 3 376.388 3.023 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCc1ccc(F)c(F)c1 ZINC000823066312 607178496 /nfs/dbraw/zinc/17/84/96/607178496.db2.gz UPUKCRONGXRXCS-UHFFFAOYSA-N -1 3 376.388 3.023 20 0 GGADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820882692 607186850 /nfs/dbraw/zinc/18/68/50/607186850.db2.gz XMOGCGDOXZZRSG-GJZGRUSLSA-N -1 3 379.464 3.061 20 0 GGADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820882692 607186851 /nfs/dbraw/zinc/18/68/51/607186851.db2.gz XMOGCGDOXZZRSG-GJZGRUSLSA-N -1 3 379.464 3.061 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823115862 607190244 /nfs/dbraw/zinc/19/02/44/607190244.db2.gz VJNCCAQDAKOBJG-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823115862 607190245 /nfs/dbraw/zinc/19/02/45/607190245.db2.gz VJNCCAQDAKOBJG-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc2c(c(Cl)c1)OCO2 ZINC000823319096 607190497 /nfs/dbraw/zinc/19/04/97/607190497.db2.gz QTMCDRODKQWZHG-UHFFFAOYSA-N -1 3 378.175 3.155 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc2c(c(Cl)c1)OCO2 ZINC000823319096 607190498 /nfs/dbraw/zinc/19/04/98/607190498.db2.gz QTMCDRODKQWZHG-UHFFFAOYSA-N -1 3 378.175 3.155 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NCCCF)cc1 ZINC000821703185 607194105 /nfs/dbraw/zinc/19/41/05/607194105.db2.gz SNMFYBFBRALIDK-UHFFFAOYSA-N -1 3 386.387 3.149 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NCCCF)cc1 ZINC000821703185 607194106 /nfs/dbraw/zinc/19/41/06/607194106.db2.gz SNMFYBFBRALIDK-UHFFFAOYSA-N -1 3 386.387 3.149 20 0 GGADHM CC(C)c1nc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000820201927 607195377 /nfs/dbraw/zinc/19/53/77/607195377.db2.gz CGQXCHPARJESKH-UHFFFAOYSA-N -1 3 391.888 3.464 20 0 GGADHM CC(C)c1nc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000820201927 607195378 /nfs/dbraw/zinc/19/53/78/607195378.db2.gz CGQXCHPARJESKH-UHFFFAOYSA-N -1 3 391.888 3.464 20 0 GGADHM Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822341051 607195808 /nfs/dbraw/zinc/19/58/08/607195808.db2.gz SECXFZXXCKCUMG-CQSZACIVSA-N -1 3 384.827 3.474 20 0 GGADHM Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822341051 607195809 /nfs/dbraw/zinc/19/58/09/607195809.db2.gz SECXFZXXCKCUMG-CQSZACIVSA-N -1 3 384.827 3.474 20 0 GGADHM O=C(NCCc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224217 607198525 /nfs/dbraw/zinc/19/85/25/607198525.db2.gz UOMKTUPSAXQQMP-UHFFFAOYSA-N -1 3 378.770 3.163 20 0 GGADHM O=C(NCCc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224217 607198526 /nfs/dbraw/zinc/19/85/26/607198526.db2.gz UOMKTUPSAXQQMP-UHFFFAOYSA-N -1 3 378.770 3.163 20 0 GGADHM O=C(NCc1ccccc1N1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261184 607199452 /nfs/dbraw/zinc/19/94/52/607199452.db2.gz DZRPUVDQOXTILV-UHFFFAOYSA-N -1 3 397.870 3.442 20 0 GGADHM O=C(NCc1ccccc1N1CCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261184 607199453 /nfs/dbraw/zinc/19/94/53/607199453.db2.gz DZRPUVDQOXTILV-UHFFFAOYSA-N -1 3 397.870 3.442 20 0 GGADHM C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820286987 607199672 /nfs/dbraw/zinc/19/96/72/607199672.db2.gz HXWYOVNQUBAFCX-LBPRGKRZSA-N -1 3 386.843 3.247 20 0 GGADHM C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820286987 607199673 /nfs/dbraw/zinc/19/96/73/607199673.db2.gz HXWYOVNQUBAFCX-LBPRGKRZSA-N -1 3 386.843 3.247 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCO[C@H](c2ccsc2)C1 ZINC000823314854 607200273 /nfs/dbraw/zinc/20/02/73/607200273.db2.gz SMWKWPZWKLMRGI-AWEZNQCLSA-N -1 3 390.856 3.187 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCO[C@H](c2ccsc2)C1 ZINC000823314854 607200274 /nfs/dbraw/zinc/20/02/74/607200274.db2.gz SMWKWPZWKLMRGI-AWEZNQCLSA-N -1 3 390.856 3.187 20 0 GGADHM COc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821877920 607200282 /nfs/dbraw/zinc/20/02/82/607200282.db2.gz ZHOCPUUZGNFRDJ-CQSZACIVSA-N -1 3 384.827 3.338 20 0 GGADHM COc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821877920 607200283 /nfs/dbraw/zinc/20/02/83/607200283.db2.gz ZHOCPUUZGNFRDJ-CQSZACIVSA-N -1 3 384.827 3.338 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820044484 607200707 /nfs/dbraw/zinc/20/07/07/607200707.db2.gz GMAFJVXQYINXEV-IUODEOHRSA-N -1 3 378.864 3.093 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820044484 607200708 /nfs/dbraw/zinc/20/07/08/607200708.db2.gz GMAFJVXQYINXEV-IUODEOHRSA-N -1 3 378.864 3.093 20 0 GGADHM O=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823250396 607201197 /nfs/dbraw/zinc/20/11/97/607201197.db2.gz WWPUYTVEVCJCHI-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM O=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823250396 607201198 /nfs/dbraw/zinc/20/11/98/607201198.db2.gz WWPUYTVEVCJCHI-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM CCc1nc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000821504751 607203348 /nfs/dbraw/zinc/20/33/48/607203348.db2.gz JVEJASYXKQEZNK-UHFFFAOYSA-N -1 3 377.861 3.203 20 0 GGADHM CCc1nc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821504751 607203349 /nfs/dbraw/zinc/20/33/49/607203349.db2.gz JVEJASYXKQEZNK-UHFFFAOYSA-N -1 3 377.861 3.203 20 0 GGADHM Cc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822362182 607203766 /nfs/dbraw/zinc/20/37/66/607203766.db2.gz NKUIRJWWAVQNCX-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822362182 607203767 /nfs/dbraw/zinc/20/37/67/607203767.db2.gz NKUIRJWWAVQNCX-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccn(-c2ccccc2Cl)n1 ZINC000823257633 607204821 /nfs/dbraw/zinc/20/48/21/607204821.db2.gz QVYJIOGPKTURBF-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccn(-c2ccccc2Cl)n1 ZINC000823257633 607204822 /nfs/dbraw/zinc/20/48/22/607204822.db2.gz QVYJIOGPKTURBF-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000820403115 607231199 /nfs/dbraw/zinc/23/11/99/607231199.db2.gz HYBOKSYDIISAMK-QMMMGPOBSA-N -1 3 396.760 3.425 20 0 GGADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000820403115 607231200 /nfs/dbraw/zinc/23/12/00/607231200.db2.gz HYBOKSYDIISAMK-QMMMGPOBSA-N -1 3 396.760 3.425 20 0 GGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820225558 607233439 /nfs/dbraw/zinc/23/34/39/607233439.db2.gz LFHNQXBGPDLNMU-GFCCVEGCSA-N -1 3 384.871 3.401 20 0 GGADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820225558 607233440 /nfs/dbraw/zinc/23/34/40/607233440.db2.gz LFHNQXBGPDLNMU-GFCCVEGCSA-N -1 3 384.871 3.401 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(Cl)c1F ZINC000820001610 607235472 /nfs/dbraw/zinc/23/54/72/607235472.db2.gz UVPBFCRRCWUJCP-UHFFFAOYSA-N -1 3 375.791 3.455 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2oc(CC)cc2C)c(-c2nnn[n-]2)c1C ZINC000821347173 607235611 /nfs/dbraw/zinc/23/56/11/607235611.db2.gz SJAWVNUREOVYRP-UHFFFAOYSA-N -1 3 389.437 3.129 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2oc(CC)cc2C)c(-c2nn[n-]n2)c1C ZINC000821347173 607235612 /nfs/dbraw/zinc/23/56/12/607235612.db2.gz SJAWVNUREOVYRP-UHFFFAOYSA-N -1 3 389.437 3.129 20 0 GGADHM Cc1cc(N(C)C)ccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822206006 607237503 /nfs/dbraw/zinc/23/75/03/607237503.db2.gz QOOBHKWGAZNXPK-UHFFFAOYSA-N -1 3 380.452 3.037 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1-c1nnn[n-]1 ZINC000821465737 607237878 /nfs/dbraw/zinc/23/78/78/607237878.db2.gz NOKRPUKQLGQOOA-UHFFFAOYSA-N -1 3 396.476 3.281 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1-c1nn[n-]n1 ZINC000821465737 607237879 /nfs/dbraw/zinc/23/78/79/607237879.db2.gz NOKRPUKQLGQOOA-UHFFFAOYSA-N -1 3 396.476 3.281 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)c1sccc1C ZINC000821698577 607240034 /nfs/dbraw/zinc/24/00/34/607240034.db2.gz PSYWERMWWNLOEB-UHFFFAOYSA-N -1 3 395.238 3.227 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)c1sccc1C ZINC000821698577 607240035 /nfs/dbraw/zinc/24/00/35/607240035.db2.gz PSYWERMWWNLOEB-UHFFFAOYSA-N -1 3 395.238 3.227 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)c1oc(C)cc1C ZINC000821698587 607240067 /nfs/dbraw/zinc/24/00/67/607240067.db2.gz QCKDEOFOIRQISB-UHFFFAOYSA-N -1 3 393.197 3.067 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)c1oc(C)cc1C ZINC000821698587 607240068 /nfs/dbraw/zinc/24/00/68/607240068.db2.gz QCKDEOFOIRQISB-UHFFFAOYSA-N -1 3 393.197 3.067 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)C=C1CCCC1 ZINC000821698674 607240760 /nfs/dbraw/zinc/24/07/60/607240760.db2.gz UEYKYBZGCPUZHY-UHFFFAOYSA-N -1 3 379.214 3.044 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)C=C1CCCC1 ZINC000821698674 607240761 /nfs/dbraw/zinc/24/07/61/607240761.db2.gz UEYKYBZGCPUZHY-UHFFFAOYSA-N -1 3 379.214 3.044 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)CCCC(=O)N2 ZINC000823530226 607241690 /nfs/dbraw/zinc/24/16/90/607241690.db2.gz FKAWRYDCTRVIOD-UHFFFAOYSA-N -1 3 382.811 3.047 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)CCCC(=O)N2 ZINC000823530226 607241691 /nfs/dbraw/zinc/24/16/91/607241691.db2.gz FKAWRYDCTRVIOD-UHFFFAOYSA-N -1 3 382.811 3.047 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(Oc2cnccn2)c1 ZINC000823318278 607243226 /nfs/dbraw/zinc/24/32/26/607243226.db2.gz BADXDTPXAHZXPE-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(Oc2cnccn2)c1 ZINC000823318278 607243227 /nfs/dbraw/zinc/24/32/27/607243227.db2.gz BADXDTPXAHZXPE-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM CC(C)(C)CNC(=O)c1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819913654 607244235 /nfs/dbraw/zinc/24/42/35/607244235.db2.gz ACPLFWSSMFMFCE-UHFFFAOYSA-N -1 3 397.410 3.001 20 0 GGADHM CC(C)(C)CNC(=O)c1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819913654 607244236 /nfs/dbraw/zinc/24/42/36/607244236.db2.gz ACPLFWSSMFMFCE-UHFFFAOYSA-N -1 3 397.410 3.001 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cnn(-c2cccc(Cl)c2)c1 ZINC000823450366 607247370 /nfs/dbraw/zinc/24/73/70/607247370.db2.gz PLESOXSJRDDNKN-UHFFFAOYSA-N -1 3 384.758 3.064 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cnn(-c2cccc(Cl)c2)c1 ZINC000823450366 607247371 /nfs/dbraw/zinc/24/73/71/607247371.db2.gz PLESOXSJRDDNKN-UHFFFAOYSA-N -1 3 384.758 3.064 20 0 GGADHM CN(C)[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000821579565 607247865 /nfs/dbraw/zinc/24/78/65/607247865.db2.gz GQUSIOYRUXLVJU-OAHLLOKOSA-N -1 3 393.781 3.007 20 0 GGADHM CN(C)[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000821579565 607247866 /nfs/dbraw/zinc/24/78/66/607247866.db2.gz GQUSIOYRUXLVJU-OAHLLOKOSA-N -1 3 393.781 3.007 20 0 GGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822239904 607248049 /nfs/dbraw/zinc/24/80/49/607248049.db2.gz JVHXQOBSHUOIHF-JTQLQIEISA-N -1 3 376.775 3.341 20 0 GGADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822239904 607248050 /nfs/dbraw/zinc/24/80/50/607248050.db2.gz JVHXQOBSHUOIHF-JTQLQIEISA-N -1 3 376.775 3.341 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1csc(-c2ccccc2F)n1 ZINC000823449788 607250838 /nfs/dbraw/zinc/25/08/38/607250838.db2.gz CRELKTXZVGOPRK-UHFFFAOYSA-N -1 3 385.355 3.488 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1csc(-c2ccccc2F)n1 ZINC000823449788 607250839 /nfs/dbraw/zinc/25/08/39/607250839.db2.gz CRELKTXZVGOPRK-UHFFFAOYSA-N -1 3 385.355 3.488 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823146896 607251558 /nfs/dbraw/zinc/25/15/58/607251558.db2.gz ZRFDIVIOUOOCDD-JRSKDTKFSA-N -1 3 393.447 3.347 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823146896 607251559 /nfs/dbraw/zinc/25/15/59/607251559.db2.gz ZRFDIVIOUOOCDD-JRSKDTKFSA-N -1 3 393.447 3.347 20 0 GGADHM O=C(N[C@@H]1CC2CCC1CC2)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823146897 607251563 /nfs/dbraw/zinc/25/15/63/607251563.db2.gz ZRFDIVIOUOOCDD-WTNGLUPJSA-N -1 3 393.447 3.347 20 0 GGADHM O=C(N[C@@H]1CC2CCC1CC2)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823146897 607251564 /nfs/dbraw/zinc/25/15/64/607251564.db2.gz ZRFDIVIOUOOCDD-WTNGLUPJSA-N -1 3 393.447 3.347 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824807249 607774224 /nfs/dbraw/zinc/77/42/24/607774224.db2.gz GYNQLFKARJGWAV-LJQANCHMSA-N -1 3 377.448 3.075 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824807249 607774225 /nfs/dbraw/zinc/77/42/25/607774225.db2.gz GYNQLFKARJGWAV-LJQANCHMSA-N -1 3 377.448 3.075 20 0 GGADHM CC[C@@H](CSc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825127059 607774437 /nfs/dbraw/zinc/77/44/37/607774437.db2.gz LJPUEEOTMQQNOC-ZBFHGGJFSA-N -1 3 397.504 3.321 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000824919728 607781505 /nfs/dbraw/zinc/78/15/05/607781505.db2.gz XPFDXVDJZSSPHJ-XIKOKIGWSA-N -1 3 380.427 3.444 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000824919728 607781506 /nfs/dbraw/zinc/78/15/06/607781506.db2.gz XPFDXVDJZSSPHJ-XIKOKIGWSA-N -1 3 380.427 3.444 20 0 GGADHM Cc1noc2nc(C(C)C)cc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)c12 ZINC000826340356 607790141 /nfs/dbraw/zinc/79/01/41/607790141.db2.gz URWXTERUZVDMOK-UHFFFAOYSA-N -1 3 377.408 3.111 20 0 GGADHM Cc1noc2nc(C(C)C)cc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)c12 ZINC000826340356 607790142 /nfs/dbraw/zinc/79/01/42/607790142.db2.gz URWXTERUZVDMOK-UHFFFAOYSA-N -1 3 377.408 3.111 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825812492 607790464 /nfs/dbraw/zinc/79/04/64/607790464.db2.gz LEQZWYAWBQTFPC-GJZGRUSLSA-N -1 3 398.264 3.396 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825812492 607790465 /nfs/dbraw/zinc/79/04/65/607790465.db2.gz LEQZWYAWBQTFPC-GJZGRUSLSA-N -1 3 398.264 3.396 20 0 GGADHM CCN(C(=O)CCC(=O)c1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372180 607797355 /nfs/dbraw/zinc/79/73/55/607797355.db2.gz RWYRFPTXMLXXPW-UHFFFAOYSA-N -1 3 377.448 3.500 20 0 GGADHM CCN(C(=O)CCC(=O)c1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372180 607797356 /nfs/dbraw/zinc/79/73/56/607797356.db2.gz RWYRFPTXMLXXPW-UHFFFAOYSA-N -1 3 377.448 3.500 20 0 GGADHM CCOc1ccc(OCCCC(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825643940 607799637 /nfs/dbraw/zinc/79/96/37/607799637.db2.gz XMFRTAGOUOMVRW-UHFFFAOYSA-N -1 3 395.463 3.478 20 0 GGADHM CCOc1ccc(OCCCC(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825643940 607799638 /nfs/dbraw/zinc/79/96/38/607799638.db2.gz XMFRTAGOUOMVRW-UHFFFAOYSA-N -1 3 395.463 3.478 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826278094 607803081 /nfs/dbraw/zinc/80/30/81/607803081.db2.gz QZYGJAWXSZHOOB-DNVCBOLYSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826278094 607803082 /nfs/dbraw/zinc/80/30/82/607803082.db2.gz QZYGJAWXSZHOOB-DNVCBOLYSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)c(Br)cc1F ZINC000826250224 607803108 /nfs/dbraw/zinc/80/31/08/607803108.db2.gz QBLYIXQHTDCVNA-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)c(Br)cc1F ZINC000826250224 607803109 /nfs/dbraw/zinc/80/31/09/607803109.db2.gz QBLYIXQHTDCVNA-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826401913 607803157 /nfs/dbraw/zinc/80/31/57/607803157.db2.gz JFZJDQSCALCONB-FQEHLOLLSA-N -1 3 389.459 3.164 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826401913 607803158 /nfs/dbraw/zinc/80/31/58/607803158.db2.gz JFZJDQSCALCONB-FQEHLOLLSA-N -1 3 389.459 3.164 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826455778 607803646 /nfs/dbraw/zinc/80/36/46/607803646.db2.gz DFCXEPCJOJPITP-KDOFPFPSSA-N -1 3 378.436 3.156 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826455778 607803647 /nfs/dbraw/zinc/80/36/47/607803647.db2.gz DFCXEPCJOJPITP-KDOFPFPSSA-N -1 3 378.436 3.156 20 0 GGADHM O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826450572 607804440 /nfs/dbraw/zinc/80/44/40/607804440.db2.gz RYIKTYAZELQKOJ-SHTZXODSSA-N -1 3 395.488 3.051 20 0 GGADHM O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826450572 607804441 /nfs/dbraw/zinc/80/44/41/607804441.db2.gz RYIKTYAZELQKOJ-SHTZXODSSA-N -1 3 395.488 3.051 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826453977 607804541 /nfs/dbraw/zinc/80/45/41/607804541.db2.gz GBZRVNRNTIAIFG-SCLBCKFNSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826453977 607804542 /nfs/dbraw/zinc/80/45/42/607804542.db2.gz GBZRVNRNTIAIFG-SCLBCKFNSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826426140 607804870 /nfs/dbraw/zinc/80/48/70/607804870.db2.gz GLXFXHGLSMPCPW-SJCJKPOMSA-N -1 3 399.401 3.043 20 0 GGADHM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826426140 607804871 /nfs/dbraw/zinc/80/48/71/607804871.db2.gz GLXFXHGLSMPCPW-SJCJKPOMSA-N -1 3 399.401 3.043 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccccc2-c2nnn[n-]2)c1C(C)C ZINC000824010621 607805155 /nfs/dbraw/zinc/80/51/55/607805155.db2.gz OCMCCXKGUNHGIQ-UHFFFAOYSA-N -1 3 397.435 3.065 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccccc2-c2nn[n-]n2)c1C(C)C ZINC000824010621 607805156 /nfs/dbraw/zinc/80/51/56/607805156.db2.gz OCMCCXKGUNHGIQ-UHFFFAOYSA-N -1 3 397.435 3.065 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000825654103 607805609 /nfs/dbraw/zinc/80/56/09/607805609.db2.gz OKBDDCXQIQCLKH-UHFFFAOYSA-N -1 3 392.337 3.240 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000825654103 607805610 /nfs/dbraw/zinc/80/56/10/607805610.db2.gz OKBDDCXQIQCLKH-UHFFFAOYSA-N -1 3 392.337 3.240 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000826184083 607805673 /nfs/dbraw/zinc/80/56/73/607805673.db2.gz KEJZYWVPIJIJIE-UHFFFAOYSA-N -1 3 397.435 3.195 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000826184083 607805674 /nfs/dbraw/zinc/80/56/74/607805674.db2.gz KEJZYWVPIJIJIE-UHFFFAOYSA-N -1 3 397.435 3.195 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824010440 607806695 /nfs/dbraw/zinc/80/66/95/607806695.db2.gz NKQWHFIZUIJIKZ-NSHDSACASA-N -1 3 380.452 3.320 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824010440 607806696 /nfs/dbraw/zinc/80/66/96/607806696.db2.gz NKQWHFIZUIJIKZ-NSHDSACASA-N -1 3 380.452 3.320 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)N1CC2(CC(F)C2)C1 ZINC000826473931 607807549 /nfs/dbraw/zinc/80/75/49/607807549.db2.gz UFASDGHYMOYWDC-UHFFFAOYSA-N -1 3 393.422 3.020 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)N1CC2(CC(F)C2)C1 ZINC000826473931 607807550 /nfs/dbraw/zinc/80/75/50/607807550.db2.gz UFASDGHYMOYWDC-UHFFFAOYSA-N -1 3 393.422 3.020 20 0 GGADHM O=C(c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)N1CC2(CC(F)C2)C1 ZINC000826473529 607807699 /nfs/dbraw/zinc/80/76/99/607807699.db2.gz BOWPGPNTIZJCOA-UHFFFAOYSA-N -1 3 393.422 3.020 20 0 GGADHM CC(C)C1CN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824222842 607808486 /nfs/dbraw/zinc/80/84/86/607808486.db2.gz CXDKTUHACWBSDE-UHFFFAOYSA-N -1 3 377.448 3.174 20 0 GGADHM CC(C)C1CN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824222842 607808487 /nfs/dbraw/zinc/80/84/87/607808487.db2.gz CXDKTUHACWBSDE-UHFFFAOYSA-N -1 3 377.448 3.174 20 0 GGADHM CCC(CC)(CO)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825090075 607808830 /nfs/dbraw/zinc/80/88/30/607808830.db2.gz RYMMKWZKWBCWEC-UHFFFAOYSA-N -1 3 379.464 3.062 20 0 GGADHM CCC(CC)(CO)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825090075 607808831 /nfs/dbraw/zinc/80/88/31/607808831.db2.gz RYMMKWZKWBCWEC-UHFFFAOYSA-N -1 3 379.464 3.062 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC(c4ccccn4)CC3)c2c1 ZINC000826372522 607820347 /nfs/dbraw/zinc/82/03/47/607820347.db2.gz AJZKPKPYHUUXFA-UHFFFAOYSA-N -1 3 393.401 3.472 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC(c4ccccn4)CC3)c2c1 ZINC000826372522 607820348 /nfs/dbraw/zinc/82/03/48/607820348.db2.gz AJZKPKPYHUUXFA-UHFFFAOYSA-N -1 3 393.401 3.472 20 0 GGADHM CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824109463 607822213 /nfs/dbraw/zinc/82/22/13/607822213.db2.gz RBSNSXKDQVLNSR-IHXNAJNRSA-N -1 3 399.499 3.146 20 0 GGADHM CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824109463 607822214 /nfs/dbraw/zinc/82/22/14/607822214.db2.gz RBSNSXKDQVLNSR-IHXNAJNRSA-N -1 3 399.499 3.146 20 0 GGADHM COc1ccc(CNC(=O)CCC(C)(C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826197005 607822822 /nfs/dbraw/zinc/82/28/22/607822822.db2.gz WFMITGMONKWPLV-UHFFFAOYSA-N -1 3 379.464 3.250 20 0 GGADHM COc1ccc(CNC(=O)CCC(C)(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826197005 607822823 /nfs/dbraw/zinc/82/28/23/607822823.db2.gz WFMITGMONKWPLV-UHFFFAOYSA-N -1 3 379.464 3.250 20 0 GGADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826455587 607824662 /nfs/dbraw/zinc/82/46/62/607824662.db2.gz VHTDNAVHNYANAY-UHFFFAOYSA-N -1 3 389.444 3.201 20 0 GGADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826455587 607824663 /nfs/dbraw/zinc/82/46/63/607824663.db2.gz VHTDNAVHNYANAY-UHFFFAOYSA-N -1 3 389.444 3.201 20 0 GGADHM CC(C)(C)O[C@H](C(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824119509 607826898 /nfs/dbraw/zinc/82/68/98/607826898.db2.gz JZLDMEUIOXCMMP-SFHVURJKSA-N -1 3 396.447 3.345 20 0 GGADHM CC(C)(C)O[C@H](C(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824119509 607826899 /nfs/dbraw/zinc/82/68/99/607826899.db2.gz JZLDMEUIOXCMMP-SFHVURJKSA-N -1 3 396.447 3.345 20 0 GGADHM CC(C)(CCC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000824152357 607826996 /nfs/dbraw/zinc/82/69/96/607826996.db2.gz BTPCDSUUTFZIBC-UHFFFAOYSA-N -1 3 399.476 3.168 20 0 GGADHM CC(C)(CCC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000824152357 607826997 /nfs/dbraw/zinc/82/69/97/607826997.db2.gz BTPCDSUUTFZIBC-UHFFFAOYSA-N -1 3 399.476 3.168 20 0 GGADHM C[C@@H]1COCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000825005611 607833971 /nfs/dbraw/zinc/83/39/71/607833971.db2.gz ATPHNPNMJPAAAI-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM C[C@@H]1COCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000825005611 607833972 /nfs/dbraw/zinc/83/39/72/607833972.db2.gz ATPHNPNMJPAAAI-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM CCc1cnc(CCNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000825733635 607834943 /nfs/dbraw/zinc/83/49/43/607834943.db2.gz HBIRQYOGJPIDCJ-UHFFFAOYSA-N -1 3 397.291 3.165 20 0 GGADHM CCc1cnc(CCNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000825733635 607834944 /nfs/dbraw/zinc/83/49/44/607834944.db2.gz HBIRQYOGJPIDCJ-UHFFFAOYSA-N -1 3 397.291 3.165 20 0 GGADHM c1nn(Cc2ccccc2)cc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826521924 607840775 /nfs/dbraw/zinc/84/07/75/607840775.db2.gz DFUPEGDAXDOLPT-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM c1nn(Cc2ccccc2)cc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826521924 607840776 /nfs/dbraw/zinc/84/07/76/607840776.db2.gz DFUPEGDAXDOLPT-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM CCn1cc(C2CCN(c3ccc(C(F)(F)F)c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000825799831 607841191 /nfs/dbraw/zinc/84/11/91/607841191.db2.gz SJQKJPQHOZFLGH-UHFFFAOYSA-N -1 3 391.401 3.486 20 0 GGADHM CCn1cc(C2CCN(c3ccc(C(F)(F)F)c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000825799831 607841192 /nfs/dbraw/zinc/84/11/92/607841192.db2.gz SJQKJPQHOZFLGH-UHFFFAOYSA-N -1 3 391.401 3.486 20 0 GGADHM c1ccc(COC[C@@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826521603 607842422 /nfs/dbraw/zinc/84/24/22/607842422.db2.gz SAADUJBYFULMNU-QGZVFWFLSA-N -1 3 386.459 3.458 20 0 GGADHM c1ccc(COC[C@@H]2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826521603 607842423 /nfs/dbraw/zinc/84/24/23/607842423.db2.gz SAADUJBYFULMNU-QGZVFWFLSA-N -1 3 386.459 3.458 20 0 GGADHM Cc1cnc(CCN(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826318551 607843053 /nfs/dbraw/zinc/84/30/53/607843053.db2.gz ONQHVAROVVZPBT-UHFFFAOYSA-N -1 3 393.929 3.156 20 0 GGADHM Cc1cnc(CCN(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826318551 607843054 /nfs/dbraw/zinc/84/30/54/607843054.db2.gz ONQHVAROVVZPBT-UHFFFAOYSA-N -1 3 393.929 3.156 20 0 GGADHM CCn1c(-c2cccs2)nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1=S ZINC000825783136 607846675 /nfs/dbraw/zinc/84/66/75/607846675.db2.gz ZQDAZCIINAKGOK-UHFFFAOYSA-N -1 3 398.521 3.436 20 0 GGADHM C[C@H](c1ccccc1)n1cnn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1=S ZINC000824770289 607846736 /nfs/dbraw/zinc/84/67/36/607846736.db2.gz IBVJRBKPDRHZGR-CQSZACIVSA-N -1 3 392.492 3.297 20 0 GGADHM Cc1ccc(-n2cnn(CN(C)c3ccc(-c4nn[n-]n4)cc3)c2=S)c(C)c1 ZINC000826280751 607847250 /nfs/dbraw/zinc/84/72/50/607847250.db2.gz ODDFTTRSVZIYIS-UHFFFAOYSA-N -1 3 392.492 3.294 20 0 GGADHM CC(C)Oc1nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(=S)s1 ZINC000824337591 607848681 /nfs/dbraw/zinc/84/86/81/607848681.db2.gz BTFAHDIUHRUUCP-UHFFFAOYSA-N -1 3 397.917 3.389 20 0 GGADHM CC(C)Oc1nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(=S)s1 ZINC000824337591 607848682 /nfs/dbraw/zinc/84/86/82/607848682.db2.gz BTFAHDIUHRUUCP-UHFFFAOYSA-N -1 3 397.917 3.389 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(OC(C)C)n1 ZINC000825319108 607853507 /nfs/dbraw/zinc/85/35/07/607853507.db2.gz YEOOXISFNCSJGU-UHFFFAOYSA-N -1 3 380.452 3.101 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(OC(C)C)n1 ZINC000825319108 607853508 /nfs/dbraw/zinc/85/35/08/607853508.db2.gz YEOOXISFNCSJGU-UHFFFAOYSA-N -1 3 380.452 3.101 20 0 GGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826281846 607861459 /nfs/dbraw/zinc/86/14/59/607861459.db2.gz MGYUYVOVAWQRSW-NSHDSACASA-N -1 3 386.253 3.429 20 0 GGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826281846 607861460 /nfs/dbraw/zinc/86/14/60/607861460.db2.gz MGYUYVOVAWQRSW-NSHDSACASA-N -1 3 386.253 3.429 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1ccc(F)c(F)c1 ZINC000825609535 607872239 /nfs/dbraw/zinc/87/22/39/607872239.db2.gz OTQGPOLAEKIHKT-CQSZACIVSA-N -1 3 396.781 3.309 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1ccc(F)c(F)c1 ZINC000825609535 607872240 /nfs/dbraw/zinc/87/22/40/607872240.db2.gz OTQGPOLAEKIHKT-CQSZACIVSA-N -1 3 396.781 3.309 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826504804 607874449 /nfs/dbraw/zinc/87/44/49/607874449.db2.gz DWAJHSOVTKOKPR-ZDUSSCGKSA-N -1 3 397.179 3.020 20 0 GGADHM O[C@@H](COc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826504804 607874450 /nfs/dbraw/zinc/87/44/50/607874450.db2.gz DWAJHSOVTKOKPR-ZDUSSCGKSA-N -1 3 397.179 3.020 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(Br)cc1 ZINC000826255310 607875714 /nfs/dbraw/zinc/87/57/14/607875714.db2.gz SPWMTNXUZZYCLT-AWEZNQCLSA-N -1 3 375.226 3.050 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1cccc2ccccc21 ZINC000826254994 607875739 /nfs/dbraw/zinc/87/57/39/607875739.db2.gz IEEIRDYNUUVTPU-KRWDZBQOSA-N -1 3 376.416 3.147 20 0 GGADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1F)Cc1ccccc1C(F)(F)F ZINC000826504512 607875952 /nfs/dbraw/zinc/87/59/52/607875952.db2.gz XPYXZMOSXDSRIV-GFCCVEGCSA-N -1 3 382.317 3.007 20 0 GGADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1F)Cc1ccccc1C(F)(F)F ZINC000826504512 607875953 /nfs/dbraw/zinc/87/59/53/607875953.db2.gz XPYXZMOSXDSRIV-GFCCVEGCSA-N -1 3 382.317 3.007 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000826278817 607877226 /nfs/dbraw/zinc/87/72/26/607877226.db2.gz UVOOBLZGYYICLN-DYVFJYSZSA-N -1 3 388.855 3.346 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000826278817 607877227 /nfs/dbraw/zinc/87/72/27/607877227.db2.gz UVOOBLZGYYICLN-DYVFJYSZSA-N -1 3 388.855 3.346 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000824334538 607879279 /nfs/dbraw/zinc/87/92/79/607879279.db2.gz XDVZWCVGTWBAAB-UHFFFAOYSA-N -1 3 382.493 3.483 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000824334538 607879280 /nfs/dbraw/zinc/87/92/80/607879280.db2.gz XDVZWCVGTWBAAB-UHFFFAOYSA-N -1 3 382.493 3.483 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1csc([C@@H]2CCCO2)n1 ZINC000826453784 607881577 /nfs/dbraw/zinc/88/15/77/607881577.db2.gz ZLQDURMFBHNBAS-LBPRGKRZSA-N -1 3 376.829 3.080 20 0 GGADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1csc([C@@H]2CCCO2)n1 ZINC000826453784 607881578 /nfs/dbraw/zinc/88/15/78/607881578.db2.gz ZLQDURMFBHNBAS-LBPRGKRZSA-N -1 3 376.829 3.080 20 0 GGADHM CCN(C(=O)c1csc([C@H]2CCCO2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390619 607885916 /nfs/dbraw/zinc/88/59/16/607885916.db2.gz HYZIDUKCVLJLLU-MLGOLLRUSA-N -1 3 398.492 3.398 20 0 GGADHM CCN(C(=O)c1csc([C@H]2CCCO2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390619 607885917 /nfs/dbraw/zinc/88/59/17/607885917.db2.gz HYZIDUKCVLJLLU-MLGOLLRUSA-N -1 3 398.492 3.398 20 0 GGADHM CCN(C(=O)c1csc([C@@H]2CCCO2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390620 607885964 /nfs/dbraw/zinc/88/59/64/607885964.db2.gz HYZIDUKCVLJLLU-WBMJQRKESA-N -1 3 398.492 3.398 20 0 GGADHM CCN(C(=O)c1csc([C@@H]2CCCO2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390620 607885965 /nfs/dbraw/zinc/88/59/65/607885965.db2.gz HYZIDUKCVLJLLU-WBMJQRKESA-N -1 3 398.492 3.398 20 0 GGADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)NCCC(c1ccccc1)c1ccccc1 ZINC000826424636 607890451 /nfs/dbraw/zinc/89/04/51/607890451.db2.gz VWXQAGSKEXQYPZ-UHFFFAOYSA-N -1 3 386.459 3.007 20 0 GGADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)NCCC(c1ccccc1)c1ccccc1 ZINC000826424636 607890452 /nfs/dbraw/zinc/89/04/52/607890452.db2.gz VWXQAGSKEXQYPZ-UHFFFAOYSA-N -1 3 386.459 3.007 20 0 GGADHM CC1=CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000824852875 607893176 /nfs/dbraw/zinc/89/31/76/607893176.db2.gz SNKGIGLNJRYOAE-UHFFFAOYSA-N -1 3 381.465 3.098 20 0 GGADHM CC1=CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000824852875 607893177 /nfs/dbraw/zinc/89/31/77/607893177.db2.gz SNKGIGLNJRYOAE-UHFFFAOYSA-N -1 3 381.465 3.098 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCc1cnc(C2CC2)nc1 ZINC000826368123 607904342 /nfs/dbraw/zinc/90/43/42/607904342.db2.gz CKGPJXHOAJFHEZ-UHFFFAOYSA-N -1 3 375.358 3.208 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc([C@H]2CCCO2)n1 ZINC000825332160 607904799 /nfs/dbraw/zinc/90/47/99/607904799.db2.gz FGCDNJQBENZRPK-OAHLLOKOSA-N -1 3 399.480 3.249 20 0 GGADHM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825147340 607905387 /nfs/dbraw/zinc/90/53/87/607905387.db2.gz IMWASBBIIPQXLJ-QFBILLFUSA-N -1 3 392.442 3.386 20 0 GGADHM CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825147340 607905388 /nfs/dbraw/zinc/90/53/88/607905388.db2.gz IMWASBBIIPQXLJ-QFBILLFUSA-N -1 3 392.442 3.386 20 0 GGADHM C[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627247 607908127 /nfs/dbraw/zinc/90/81/27/607908127.db2.gz VFSPCYUVCWNUSQ-NSHDSACASA-N -1 3 398.833 3.091 20 0 GGADHM CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCSC1 ZINC000825830261 607918464 /nfs/dbraw/zinc/91/84/64/607918464.db2.gz QPHNJOIRKKOZBU-QGZVFWFLSA-N -1 3 395.488 3.023 20 0 GGADHM CN(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCSC1 ZINC000825829865 607918888 /nfs/dbraw/zinc/91/88/88/607918888.db2.gz JNUZRISTOLKKMM-MRXNPFEDSA-N -1 3 395.488 3.023 20 0 GGADHM CN(C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)[C@@H]1CCSC1 ZINC000825829865 607918889 /nfs/dbraw/zinc/91/88/89/607918889.db2.gz JNUZRISTOLKKMM-MRXNPFEDSA-N -1 3 395.488 3.023 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)C1CCOCC1 ZINC000824966883 607920325 /nfs/dbraw/zinc/92/03/25/607920325.db2.gz GEQHTAFAEGRDJR-QWRGUYRKSA-N -1 3 375.498 3.054 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)C1CCOCC1 ZINC000824966883 607920326 /nfs/dbraw/zinc/92/03/26/607920326.db2.gz GEQHTAFAEGRDJR-QWRGUYRKSA-N -1 3 375.498 3.054 20 0 GGADHM C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824039341 607923194 /nfs/dbraw/zinc/92/31/94/607923194.db2.gz DJXLYDXMVFCRDK-INIZCTEOSA-N -1 3 391.475 3.463 20 0 GGADHM C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824039341 607923195 /nfs/dbraw/zinc/92/31/95/607923195.db2.gz DJXLYDXMVFCRDK-INIZCTEOSA-N -1 3 391.475 3.463 20 0 GGADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824457807 607924548 /nfs/dbraw/zinc/92/45/48/607924548.db2.gz SHRZOPJLJAEBHE-JTQLQIEISA-N -1 3 378.841 3.135 20 0 GGADHM CC(C)Oc1cccc(CN(C)[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000824334161 607925767 /nfs/dbraw/zinc/92/57/67/607925767.db2.gz PMMGOCASQFLUSU-OAHLLOKOSA-N -1 3 394.479 3.113 20 0 GGADHM CC(C)Oc1cccc(CN(C)[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000824334161 607925768 /nfs/dbraw/zinc/92/57/68/607925768.db2.gz PMMGOCASQFLUSU-OAHLLOKOSA-N -1 3 394.479 3.113 20 0 GGADHM COc1ccc(C(F)(F)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826189266 607927404 /nfs/dbraw/zinc/92/74/04/607927404.db2.gz RNOKMWTZPKGENA-UHFFFAOYSA-N -1 3 379.754 3.259 20 0 GGADHM COc1ccc(C(F)(F)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826189266 607927405 /nfs/dbraw/zinc/92/74/05/607927405.db2.gz RNOKMWTZPKGENA-UHFFFAOYSA-N -1 3 379.754 3.259 20 0 GGADHM C[C@H](NCc1ccn(-c2c(F)cccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626053 607930848 /nfs/dbraw/zinc/93/08/48/607930848.db2.gz LLOANDXMJJXNPU-LBPRGKRZSA-N -1 3 381.390 3.181 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Br)c(C)c1 ZINC000826186162 607936775 /nfs/dbraw/zinc/93/67/75/607936775.db2.gz HPJIXRJLNRJSDV-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Br)c(C)c1 ZINC000826186162 607936776 /nfs/dbraw/zinc/93/67/76/607936776.db2.gz HPJIXRJLNRJSDV-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826507332 607936943 /nfs/dbraw/zinc/93/69/43/607936943.db2.gz MTBQNWRXNKHATQ-BBRMVZONSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000826507332 607936944 /nfs/dbraw/zinc/93/69/44/607936944.db2.gz MTBQNWRXNKHATQ-BBRMVZONSA-N -1 3 393.344 3.337 20 0 GGADHM CCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1CC ZINC000825717164 607937416 /nfs/dbraw/zinc/93/74/16/607937416.db2.gz IBKKQTPLADFGPA-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM CCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000825717164 607937417 /nfs/dbraw/zinc/93/74/17/607937417.db2.gz IBKKQTPLADFGPA-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM CCc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1CC ZINC000825718061 607937559 /nfs/dbraw/zinc/93/75/59/607937559.db2.gz UUPBLERJOJUTQL-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM CCc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1CC ZINC000825718061 607937560 /nfs/dbraw/zinc/93/75/60/607937560.db2.gz UUPBLERJOJUTQL-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM Cc1cccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1Br ZINC000826296428 607940338 /nfs/dbraw/zinc/94/03/38/607940338.db2.gz WDSPYKFFJYIHTQ-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1cccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1Br ZINC000826296428 607940339 /nfs/dbraw/zinc/94/03/39/607940339.db2.gz WDSPYKFFJYIHTQ-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM CCC(=O)c1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1F ZINC000825034380 607942923 /nfs/dbraw/zinc/94/29/23/607942923.db2.gz IXDPAIKKJPIRKG-UHFFFAOYSA-N -1 3 379.395 3.018 20 0 GGADHM CCC(=O)c1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1F ZINC000825034380 607942924 /nfs/dbraw/zinc/94/29/24/607942924.db2.gz IXDPAIKKJPIRKG-UHFFFAOYSA-N -1 3 379.395 3.018 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826340618 607947207 /nfs/dbraw/zinc/94/72/07/607947207.db2.gz FDFUVUGTWTYONI-UHFFFAOYSA-N -1 3 392.444 3.023 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826340618 607947208 /nfs/dbraw/zinc/94/72/08/607947208.db2.gz FDFUVUGTWTYONI-UHFFFAOYSA-N -1 3 392.444 3.023 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826420729 607949701 /nfs/dbraw/zinc/94/97/01/607949701.db2.gz ZHHDPNHSKQGMPC-UHFFFAOYSA-N -1 3 385.880 3.343 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826420729 607949702 /nfs/dbraw/zinc/94/97/02/607949702.db2.gz ZHHDPNHSKQGMPC-UHFFFAOYSA-N -1 3 385.880 3.343 20 0 GGADHM Cc1cc(OCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc(C)c1Cl ZINC000826271798 607951797 /nfs/dbraw/zinc/95/17/97/607951797.db2.gz HYHFUEHDUIUART-UHFFFAOYSA-N -1 3 383.839 3.105 20 0 GGADHM Cc1cc(OCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc(C)c1Cl ZINC000826271798 607951798 /nfs/dbraw/zinc/95/17/98/607951798.db2.gz HYHFUEHDUIUART-UHFFFAOYSA-N -1 3 383.839 3.105 20 0 GGADHM CC(C)=CCOc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000824178462 607952426 /nfs/dbraw/zinc/95/24/26/607952426.db2.gz SSUNZCHQCARYKQ-UHFFFAOYSA-N -1 3 375.432 3.415 20 0 GGADHM CC(C)=CCOc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000824178462 607952427 /nfs/dbraw/zinc/95/24/27/607952427.db2.gz SSUNZCHQCARYKQ-UHFFFAOYSA-N -1 3 375.432 3.415 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826285886 607952459 /nfs/dbraw/zinc/95/24/59/607952459.db2.gz MQDUAOMRQFXTDD-AZUAARDMSA-N -1 3 389.459 3.232 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826285886 607952460 /nfs/dbraw/zinc/95/24/60/607952460.db2.gz MQDUAOMRQFXTDD-AZUAARDMSA-N -1 3 389.459 3.232 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826285889 607952583 /nfs/dbraw/zinc/95/25/83/607952583.db2.gz MQDUAOMRQFXTDD-UYAOXDASSA-N -1 3 389.459 3.232 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826285889 607952584 /nfs/dbraw/zinc/95/25/84/607952584.db2.gz MQDUAOMRQFXTDD-UYAOXDASSA-N -1 3 389.459 3.232 20 0 GGADHM O=C(c1cccc(OCC(F)(F)F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474548 607952919 /nfs/dbraw/zinc/95/29/19/607952919.db2.gz VJPHCBCGCHJETR-UHFFFAOYSA-N -1 3 389.337 3.011 20 0 GGADHM O=C(c1cccc(OCC(F)(F)F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474548 607952920 /nfs/dbraw/zinc/95/29/20/607952920.db2.gz VJPHCBCGCHJETR-UHFFFAOYSA-N -1 3 389.337 3.011 20 0 GGADHM O=C(CCCOc1ccc2c(c1)CCC2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406441 607956173 /nfs/dbraw/zinc/95/61/73/607956173.db2.gz XJEWXHNZNVNBHA-UHFFFAOYSA-N -1 3 389.459 3.104 20 0 GGADHM O=C(CCCOc1ccc2c(c1)CCC2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406441 607956174 /nfs/dbraw/zinc/95/61/74/607956174.db2.gz XJEWXHNZNVNBHA-UHFFFAOYSA-N -1 3 389.459 3.104 20 0 GGADHM CCOC(=O)CN(Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000825517965 607957362 /nfs/dbraw/zinc/95/73/62/607957362.db2.gz QTENVKXFJNLJJY-AWEZNQCLSA-N -1 3 383.427 3.132 20 0 GGADHM CCOC(=O)CN(Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000825517965 607957363 /nfs/dbraw/zinc/95/73/63/607957363.db2.gz QTENVKXFJNLJJY-AWEZNQCLSA-N -1 3 383.427 3.132 20 0 GGADHM Cc1cccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1Br ZINC000826296047 607960183 /nfs/dbraw/zinc/96/01/83/607960183.db2.gz HTTYZXZAOFCTMY-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM Cc1cccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1Br ZINC000826296047 607960184 /nfs/dbraw/zinc/96/01/84/607960184.db2.gz HTTYZXZAOFCTMY-UHFFFAOYSA-N -1 3 391.200 3.434 20 0 GGADHM CC(C)(C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CCCC1 ZINC000824064498 607960613 /nfs/dbraw/zinc/96/06/13/607960613.db2.gz JMLNEKMYDPNCAO-UHFFFAOYSA-N -1 3 382.424 3.176 20 0 GGADHM CC(C)(C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CCCC1 ZINC000824064498 607960614 /nfs/dbraw/zinc/96/06/14/607960614.db2.gz JMLNEKMYDPNCAO-UHFFFAOYSA-N -1 3 382.424 3.176 20 0 GGADHM CC(C)(C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CCCC1 ZINC000824064752 607960690 /nfs/dbraw/zinc/96/06/90/607960690.db2.gz LHTLVJWQGREKMS-UHFFFAOYSA-N -1 3 382.424 3.176 20 0 GGADHM CC(C)(C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CCCC1 ZINC000824064752 607960691 /nfs/dbraw/zinc/96/06/91/607960691.db2.gz LHTLVJWQGREKMS-UHFFFAOYSA-N -1 3 382.424 3.176 20 0 GGADHM CCc1c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825693733 607961641 /nfs/dbraw/zinc/96/16/41/607961641.db2.gz BUGBAZIYUUGBJF-CYBMUJFWSA-N -1 3 382.472 3.164 20 0 GGADHM CCc1c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825693733 607961642 /nfs/dbraw/zinc/96/16/42/607961642.db2.gz BUGBAZIYUUGBJF-CYBMUJFWSA-N -1 3 382.472 3.164 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824319475 607962128 /nfs/dbraw/zinc/96/21/28/607962128.db2.gz RWYQLSALTDUXEW-ZZXKWVIFSA-N -1 3 384.827 3.354 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc(Cl)c1 ZINC000824319475 607962129 /nfs/dbraw/zinc/96/21/29/607962129.db2.gz RWYQLSALTDUXEW-ZZXKWVIFSA-N -1 3 384.827 3.354 20 0 GGADHM COc1ccc(COc2ccc(OCC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826207210 607972733 /nfs/dbraw/zinc/97/27/33/607972733.db2.gz FEDNGGSFNXQKGV-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM COc1ccc(COc2ccc(OCC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826207210 607972734 /nfs/dbraw/zinc/97/27/34/607972734.db2.gz FEDNGGSFNXQKGV-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(OCCOC)c1 ZINC000825353314 607975084 /nfs/dbraw/zinc/97/50/84/607975084.db2.gz UUPVCHYVHICEAZ-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(OCCOC)c1 ZINC000825353314 607975085 /nfs/dbraw/zinc/97/50/85/607975085.db2.gz UUPVCHYVHICEAZ-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(OCCCOC)c1 ZINC000825782693 607975266 /nfs/dbraw/zinc/97/52/66/607975266.db2.gz LWIOXSDXYUSBJT-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(OCCCOC)c1 ZINC000825782693 607975267 /nfs/dbraw/zinc/97/52/67/607975267.db2.gz LWIOXSDXYUSBJT-UHFFFAOYSA-N -1 3 378.436 3.319 20 0 GGADHM COc1ccc(-c2nc3cccnc3n2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826181644 607976060 /nfs/dbraw/zinc/97/60/60/607976060.db2.gz IQWNSCAFMXDUET-UHFFFAOYSA-N -1 3 383.415 3.335 20 0 GGADHM COc1ccc(-c2nc3cccnc3n2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826181644 607976061 /nfs/dbraw/zinc/97/60/61/607976061.db2.gz IQWNSCAFMXDUET-UHFFFAOYSA-N -1 3 383.415 3.335 20 0 GGADHM Cc1ncc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1Cl ZINC000826329584 607976855 /nfs/dbraw/zinc/97/68/55/607976855.db2.gz JSVULXRXAKOKOW-UHFFFAOYSA-N -1 3 394.218 3.113 20 0 GGADHM Cc1ncc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1Cl ZINC000826329584 607976856 /nfs/dbraw/zinc/97/68/56/607976856.db2.gz JSVULXRXAKOKOW-UHFFFAOYSA-N -1 3 394.218 3.113 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273408 607977721 /nfs/dbraw/zinc/97/77/21/607977721.db2.gz CGIGDZLVMHQOQS-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273408 607977722 /nfs/dbraw/zinc/97/77/22/607977722.db2.gz CGIGDZLVMHQOQS-UHFFFAOYSA-N -1 3 398.423 3.133 20 0 GGADHM CC(=Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823943637 607980050 /nfs/dbraw/zinc/98/00/50/607980050.db2.gz QXWWCNXSULUQPU-WQLSENKSSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823943637 607980051 /nfs/dbraw/zinc/98/00/51/607980051.db2.gz QXWWCNXSULUQPU-WQLSENKSSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823942752 607980207 /nfs/dbraw/zinc/98/02/07/607980207.db2.gz IQLQITXKQBKEIK-ZRDIBKRKSA-N -1 3 397.822 3.105 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823942752 607980208 /nfs/dbraw/zinc/98/02/08/607980208.db2.gz IQLQITXKQBKEIK-ZRDIBKRKSA-N -1 3 397.822 3.105 20 0 GGADHM COCc1nc(C)c(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826165530 607980546 /nfs/dbraw/zinc/98/05/46/607980546.db2.gz YZLGQPPCBKRLTA-UHFFFAOYSA-N -1 3 386.481 3.081 20 0 GGADHM COCc1nc(C)c(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826165530 607980547 /nfs/dbraw/zinc/98/05/47/607980547.db2.gz YZLGQPPCBKRLTA-UHFFFAOYSA-N -1 3 386.481 3.081 20 0 GGADHM COc1ccc(CSCC(=O)Nc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000826207477 607983526 /nfs/dbraw/zinc/98/35/26/607983526.db2.gz PKDKGALEEPWMGB-UHFFFAOYSA-N -1 3 391.403 3.025 20 0 GGADHM COc1ccc(CSCC(=O)Nc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000826207477 607983527 /nfs/dbraw/zinc/98/35/27/607983527.db2.gz PKDKGALEEPWMGB-UHFFFAOYSA-N -1 3 391.403 3.025 20 0 GGADHM COc1ccc(CSCC(=O)NCCC2CCCCC2)cc1-c1nnn[n-]1 ZINC000826207512 607983658 /nfs/dbraw/zinc/98/36/58/607983658.db2.gz QXLRJKPEPZPKIL-UHFFFAOYSA-N -1 3 389.525 3.195 20 0 GGADHM COc1ccc(CSCC(=O)NCCC2CCCCC2)cc1-c1nn[n-]n1 ZINC000826207512 607983659 /nfs/dbraw/zinc/98/36/59/607983659.db2.gz QXLRJKPEPZPKIL-UHFFFAOYSA-N -1 3 389.525 3.195 20 0 GGADHM COc1ccc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1-c1nnn[n-]1 ZINC000826207278 607983742 /nfs/dbraw/zinc/98/37/42/607983742.db2.gz HTTUUTZVMVFZBO-XJKCOSOUSA-N -1 3 389.525 3.049 20 0 GGADHM COc1ccc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1-c1nn[n-]n1 ZINC000826207278 607983743 /nfs/dbraw/zinc/98/37/43/607983743.db2.gz HTTUUTZVMVFZBO-XJKCOSOUSA-N -1 3 389.525 3.049 20 0 GGADHM COc1ccc(CSCC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC000826207588 607983754 /nfs/dbraw/zinc/98/37/54/607983754.db2.gz ULVIUWPLAFPYHD-CZUORRHYSA-N -1 3 389.525 3.146 20 0 GGADHM COc1ccc(CSCC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000826207588 607983755 /nfs/dbraw/zinc/98/37/55/607983755.db2.gz ULVIUWPLAFPYHD-CZUORRHYSA-N -1 3 389.525 3.146 20 0 GGADHM COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826220729 607983994 /nfs/dbraw/zinc/98/39/94/607983994.db2.gz XWXJSXFRKDRHGX-GFCCVEGCSA-N -1 3 399.476 3.144 20 0 GGADHM COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826220729 607983995 /nfs/dbraw/zinc/98/39/95/607983995.db2.gz XWXJSXFRKDRHGX-GFCCVEGCSA-N -1 3 399.476 3.144 20 0 GGADHM COc1ccc(CSCc2nnc(-c3cccc(F)c3)o2)cc1-c1nnn[n-]1 ZINC000826208149 607984417 /nfs/dbraw/zinc/98/44/17/607984417.db2.gz VZWFBAQLZZRFFD-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM COc1ccc(CSCc2nnc(-c3cccc(F)c3)o2)cc1-c1nn[n-]n1 ZINC000826208149 607984418 /nfs/dbraw/zinc/98/44/18/607984418.db2.gz VZWFBAQLZZRFFD-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM COc1ccc(CSCc2nnc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000826207851 607984432 /nfs/dbraw/zinc/98/44/32/607984432.db2.gz HQBSUZOINJMODF-UHFFFAOYSA-N -1 3 380.433 3.359 20 0 GGADHM COc1ccc(CSCc2nnc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000826207851 607984433 /nfs/dbraw/zinc/98/44/33/607984433.db2.gz HQBSUZOINJMODF-UHFFFAOYSA-N -1 3 380.433 3.359 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)NCc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826207531 607984561 /nfs/dbraw/zinc/98/45/61/607984561.db2.gz RUZAMQHBYDHEJE-CQSZACIVSA-N -1 3 397.504 3.122 20 0 GGADHM COc1ccc(CS[C@H](C)C(=O)NCc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826207531 607984562 /nfs/dbraw/zinc/98/45/62/607984562.db2.gz RUZAMQHBYDHEJE-CQSZACIVSA-N -1 3 397.504 3.122 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000825609509 607986458 /nfs/dbraw/zinc/98/64/58/607986458.db2.gz OFGMLWZBGCOLMQ-CYBMUJFWSA-N -1 3 382.420 3.058 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000825609509 607986459 /nfs/dbraw/zinc/98/64/59/607986459.db2.gz OFGMLWZBGCOLMQ-CYBMUJFWSA-N -1 3 382.420 3.058 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191342 607992054 /nfs/dbraw/zinc/99/20/54/607992054.db2.gz DDQWKLHPHWZCQO-LSDHHAIUSA-N -1 3 396.447 3.065 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191342 607992055 /nfs/dbraw/zinc/99/20/55/607992055.db2.gz DDQWKLHPHWZCQO-LSDHHAIUSA-N -1 3 396.447 3.065 20 0 GGADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)sc1Br ZINC000826177593 607994857 /nfs/dbraw/zinc/99/48/57/607994857.db2.gz NYWRPTQJXGDLFS-UHFFFAOYSA-N -1 3 394.254 3.260 20 0 GGADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)sc1Br ZINC000826177593 607994858 /nfs/dbraw/zinc/99/48/58/607994858.db2.gz NYWRPTQJXGDLFS-UHFFFAOYSA-N -1 3 394.254 3.260 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000824757651 607999853 /nfs/dbraw/zinc/99/98/53/607999853.db2.gz ZLIVXINOUSXRHR-SECBINFHSA-N -1 3 399.361 3.087 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Nc1sccc1-c1nnn[n-]1 ZINC000826408039 608000537 /nfs/dbraw/zinc/00/05/37/608000537.db2.gz NDCSPGQNEKDXNQ-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Nc1sccc1-c1nn[n-]n1 ZINC000826408039 608000538 /nfs/dbraw/zinc/00/05/38/608000538.db2.gz NDCSPGQNEKDXNQ-UHFFFAOYSA-N -1 3 396.245 3.401 20 0 GGADHM Cc1c(CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)cnn1C ZINC000826236229 608003228 /nfs/dbraw/zinc/00/32/28/608003228.db2.gz DECMUUJWWWSTEC-UHFFFAOYSA-N -1 3 393.476 3.208 20 0 GGADHM Cc1c(CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)cnn1C ZINC000826236229 608003229 /nfs/dbraw/zinc/00/32/29/608003229.db2.gz DECMUUJWWWSTEC-UHFFFAOYSA-N -1 3 393.476 3.208 20 0 GGADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824449949 608004497 /nfs/dbraw/zinc/00/44/97/608004497.db2.gz RDIONEOCJWNZAW-LLVKDONJSA-N -1 3 390.274 3.463 20 0 GGADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824449949 608004498 /nfs/dbraw/zinc/00/44/98/608004498.db2.gz RDIONEOCJWNZAW-LLVKDONJSA-N -1 3 390.274 3.463 20 0 GGADHM COc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)sc1Br ZINC000826177358 608006384 /nfs/dbraw/zinc/00/63/84/608006384.db2.gz FNHGUDOCQHUXGE-UHFFFAOYSA-N -1 3 399.201 3.058 20 0 GGADHM COc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)sc1Br ZINC000826177358 608006385 /nfs/dbraw/zinc/00/63/85/608006385.db2.gz FNHGUDOCQHUXGE-UHFFFAOYSA-N -1 3 399.201 3.058 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826406223 608008884 /nfs/dbraw/zinc/00/88/84/608008884.db2.gz NDIBICCNGNNVAX-FQEVSTJZSA-N -1 3 392.463 3.078 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826406223 608008885 /nfs/dbraw/zinc/00/88/85/608008885.db2.gz NDIBICCNGNNVAX-FQEVSTJZSA-N -1 3 392.463 3.078 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@H](C)OCC2CC2)CC1 ZINC000826254691 608012170 /nfs/dbraw/zinc/01/21/70/608012170.db2.gz WWAXFZPHAGDHPG-NNGSBXSVSA-N -1 3 399.495 3.257 20 0 GGADHM CCCn1c(C)nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1=S ZINC000825352715 608018801 /nfs/dbraw/zinc/01/88/01/608018801.db2.gz PKSXMNNTZLCDCW-UHFFFAOYSA-N -1 3 378.893 3.060 20 0 GGADHM CCCn1c(C)nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1=S ZINC000825352715 608018802 /nfs/dbraw/zinc/01/88/02/608018802.db2.gz PKSXMNNTZLCDCW-UHFFFAOYSA-N -1 3 378.893 3.060 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1scnc1C1CC1 ZINC000825609018 608024975 /nfs/dbraw/zinc/02/49/75/608024975.db2.gz HYKWXXTULQNEIX-UHFFFAOYSA-N -1 3 391.840 3.472 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1scnc1C1CC1 ZINC000825609018 608024976 /nfs/dbraw/zinc/02/49/76/608024976.db2.gz HYKWXXTULQNEIX-UHFFFAOYSA-N -1 3 391.840 3.472 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H]2COc3cc(OC)ccc32)s1 ZINC000825694488 608025796 /nfs/dbraw/zinc/02/57/96/608025796.db2.gz RCASRSPZDIQMBR-JTQLQIEISA-N -1 3 385.449 3.004 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H]2COc3cc(OC)ccc32)s1 ZINC000825694488 608025797 /nfs/dbraw/zinc/02/57/97/608025797.db2.gz RCASRSPZDIQMBR-JTQLQIEISA-N -1 3 385.449 3.004 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1C1CC1 ZINC000825083199 608027029 /nfs/dbraw/zinc/02/70/29/608027029.db2.gz YNMNERRHVRVEJZ-NSHDSACASA-N -1 3 381.440 3.173 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1C1CC1 ZINC000825083199 608027030 /nfs/dbraw/zinc/02/70/30/608027030.db2.gz YNMNERRHVRVEJZ-NSHDSACASA-N -1 3 381.440 3.173 20 0 GGADHM COc1ccc(COCCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826206636 608028785 /nfs/dbraw/zinc/02/87/85/608028785.db2.gz FINURMTYOJVYSN-OAHLLOKOSA-N -1 3 396.447 3.477 20 0 GGADHM COc1ccc(COCCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826206636 608028786 /nfs/dbraw/zinc/02/87/86/608028786.db2.gz FINURMTYOJVYSN-OAHLLOKOSA-N -1 3 396.447 3.477 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081479 608029748 /nfs/dbraw/zinc/02/97/48/608029748.db2.gz JMNSSNPARSWRCU-CYBMUJFWSA-N -1 3 396.451 3.147 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081480 608029762 /nfs/dbraw/zinc/02/97/62/608029762.db2.gz JMNSSNPARSWRCU-ZDUSSCGKSA-N -1 3 396.451 3.147 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(CCOCc2ccccc2)CC1 ZINC000826246926 608030593 /nfs/dbraw/zinc/03/05/93/608030593.db2.gz PFHLVDGGAAOIKM-UHFFFAOYSA-N -1 3 377.448 3.044 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(CCOCc2ccccc2)CC1 ZINC000826246926 608030594 /nfs/dbraw/zinc/03/05/94/608030594.db2.gz PFHLVDGGAAOIKM-UHFFFAOYSA-N -1 3 377.448 3.044 20 0 GGADHM CC(C)c1cc(Br)ccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000824342183 608031767 /nfs/dbraw/zinc/03/17/67/608031767.db2.gz MIEROJIKCJAIOD-UHFFFAOYSA-N -1 3 389.257 3.343 20 0 GGADHM CC(C)c1cc(Br)ccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000824342183 608031768 /nfs/dbraw/zinc/03/17/68/608031768.db2.gz MIEROJIKCJAIOD-UHFFFAOYSA-N -1 3 389.257 3.343 20 0 GGADHM Cn1c2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2nc1C(C)(C)C ZINC000826355400 608032118 /nfs/dbraw/zinc/03/21/18/608032118.db2.gz XTNYARGFENHNJP-UHFFFAOYSA-N -1 3 381.465 3.365 20 0 GGADHM Cn1c2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2nc1C(C)(C)C ZINC000826355400 608032119 /nfs/dbraw/zinc/03/21/19/608032119.db2.gz XTNYARGFENHNJP-UHFFFAOYSA-N -1 3 381.465 3.365 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826417203 608032142 /nfs/dbraw/zinc/03/21/42/608032142.db2.gz IAPMRMUZNWJDJE-LJQANCHMSA-N -1 3 391.475 3.259 20 0 GGADHM Cc1cc(C)cc(NC(=S)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264100 608046522 /nfs/dbraw/zinc/04/65/22/608046522.db2.gz BXCFCTWOVVNIQF-SFHVURJKSA-N -1 3 394.504 3.254 20 0 GGADHM Cc1cc(C)cc(NC(=S)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264100 608046523 /nfs/dbraw/zinc/04/65/23/608046523.db2.gz BXCFCTWOVVNIQF-SFHVURJKSA-N -1 3 394.504 3.254 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@]2(CCCOC2)C1 ZINC000823826034 608050330 /nfs/dbraw/zinc/05/03/30/608050330.db2.gz ALDQKKKVSDRUEL-MRXNPFEDSA-N -1 3 378.274 3.026 20 0 GGADHM Cc1nc(C)c(CCNc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826324097 608050472 /nfs/dbraw/zinc/05/04/72/608050472.db2.gz DLSCWYFDBORPCH-UHFFFAOYSA-N -1 3 379.287 3.357 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccsc2)C1 ZINC000823826856 608051278 /nfs/dbraw/zinc/05/12/78/608051278.db2.gz PUQJUBLHVCERIO-AWEZNQCLSA-N -1 3 392.282 3.269 20 0 GGADHM Cc1sc2ncnc(N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)c2c1C ZINC000826350496 608052432 /nfs/dbraw/zinc/05/24/32/608052432.db2.gz YUXXHXSRIIYPRI-HNNXBMFYSA-N -1 3 393.476 3.066 20 0 GGADHM Cc1sc2ncnc(N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)c2c1C ZINC000826350496 608052433 /nfs/dbraw/zinc/05/24/33/608052433.db2.gz YUXXHXSRIIYPRI-HNNXBMFYSA-N -1 3 393.476 3.066 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000824324356 608057930 /nfs/dbraw/zinc/05/79/30/608057930.db2.gz LYDKOYDOWWVWMZ-QGZVFWFLSA-N -1 3 393.447 3.410 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000824324356 608057931 /nfs/dbraw/zinc/05/79/31/608057931.db2.gz LYDKOYDOWWVWMZ-QGZVFWFLSA-N -1 3 393.447 3.410 20 0 GGADHM O=C(N[C@H]1CCCOC1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826430699 608058463 /nfs/dbraw/zinc/05/84/63/608058463.db2.gz JECSSCAFLJECGF-ZDUSSCGKSA-N -1 3 399.838 3.221 20 0 GGADHM O=C(N[C@H]1CCCOC1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826430699 608058464 /nfs/dbraw/zinc/05/84/64/608058464.db2.gz JECSSCAFLJECGF-ZDUSSCGKSA-N -1 3 399.838 3.221 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826395701 608058581 /nfs/dbraw/zinc/05/85/81/608058581.db2.gz PNCAPCLTKLDXKN-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826395701 608058582 /nfs/dbraw/zinc/05/85/82/608058582.db2.gz PNCAPCLTKLDXKN-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM O=C(NCC(F)F)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826432822 608059390 /nfs/dbraw/zinc/05/93/90/608059390.db2.gz MGUSWMCLAPEXJR-UHFFFAOYSA-N -1 3 379.754 3.307 20 0 GGADHM O=C(NCC(F)F)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826432822 608059391 /nfs/dbraw/zinc/05/93/91/608059391.db2.gz MGUSWMCLAPEXJR-UHFFFAOYSA-N -1 3 379.754 3.307 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000824293444 608059564 /nfs/dbraw/zinc/05/95/64/608059564.db2.gz LWDUPLLLFAOHNK-FQEVSTJZSA-N -1 3 391.475 3.421 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000824293444 608059565 /nfs/dbraw/zinc/05/95/65/608059565.db2.gz LWDUPLLLFAOHNK-FQEVSTJZSA-N -1 3 391.475 3.421 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(c2ccc(F)cc2F)CC1 ZINC000826402224 608060524 /nfs/dbraw/zinc/06/05/24/608060524.db2.gz OZXQCFMMRUONAT-VMPITWQZSA-N -1 3 381.386 3.006 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(c2ccc(F)cc2F)CC1 ZINC000826402224 608060525 /nfs/dbraw/zinc/06/05/25/608060525.db2.gz OZXQCFMMRUONAT-VMPITWQZSA-N -1 3 381.386 3.006 20 0 GGADHM CC[C@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C1CCCCC1 ZINC000825134817 608062570 /nfs/dbraw/zinc/06/25/70/608062570.db2.gz XCQJWOFZQPSPGV-RBUKOAKNSA-N -1 3 398.511 3.309 20 0 GGADHM CC[C@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C1CCCCC1 ZINC000825134817 608062571 /nfs/dbraw/zinc/06/25/71/608062571.db2.gz XCQJWOFZQPSPGV-RBUKOAKNSA-N -1 3 398.511 3.309 20 0 GGADHM CN(C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCOC1 ZINC000825830498 608062676 /nfs/dbraw/zinc/06/26/76/608062676.db2.gz SICVUXOJRGNHGC-CYBMUJFWSA-N -1 3 399.838 3.173 20 0 GGADHM CN(C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCOC1 ZINC000825830498 608062677 /nfs/dbraw/zinc/06/26/77/608062677.db2.gz SICVUXOJRGNHGC-CYBMUJFWSA-N -1 3 399.838 3.173 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824938857 608063428 /nfs/dbraw/zinc/06/34/28/608063428.db2.gz WPUVVBNRSPLKCE-GPMSIDNRSA-N -1 3 398.511 3.166 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824938857 608063429 /nfs/dbraw/zinc/06/34/29/608063429.db2.gz WPUVVBNRSPLKCE-GPMSIDNRSA-N -1 3 398.511 3.166 20 0 GGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824929424 608063671 /nfs/dbraw/zinc/06/36/71/608063671.db2.gz XLWNJLCRAZFTOU-GJYPPUQNSA-N -1 3 398.511 3.166 20 0 GGADHM C[C@@H]1CCC[C@@H](CCNC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824929424 608063672 /nfs/dbraw/zinc/06/36/72/608063672.db2.gz XLWNJLCRAZFTOU-GJYPPUQNSA-N -1 3 398.511 3.166 20 0 GGADHM C[C@@H]1CCC[C@H](CCNC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824929425 608063708 /nfs/dbraw/zinc/06/37/08/608063708.db2.gz XLWNJLCRAZFTOU-GPMSIDNRSA-N -1 3 398.511 3.166 20 0 GGADHM C[C@@H]1CCC[C@H](CCNC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824929425 608063709 /nfs/dbraw/zinc/06/37/09/608063709.db2.gz XLWNJLCRAZFTOU-GPMSIDNRSA-N -1 3 398.511 3.166 20 0 GGADHM CCC(CC)(CC)CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825089636 608065603 /nfs/dbraw/zinc/06/56/03/608065603.db2.gz JSLJASHOCWKBNW-QGZVFWFLSA-N -1 3 386.500 3.166 20 0 GGADHM CCC(CC)(CC)CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825089636 608065604 /nfs/dbraw/zinc/06/56/04/608065604.db2.gz JSLJASHOCWKBNW-QGZVFWFLSA-N -1 3 386.500 3.166 20 0 GGADHM CCCC[C@@H](CCC)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825259813 608065654 /nfs/dbraw/zinc/06/56/54/608065654.db2.gz LEEJMQRPRRVHCP-QZTJIDSGSA-N -1 3 386.500 3.309 20 0 GGADHM CCCC[C@@H](CCC)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825259813 608065655 /nfs/dbraw/zinc/06/56/55/608065655.db2.gz LEEJMQRPRRVHCP-QZTJIDSGSA-N -1 3 386.500 3.309 20 0 GGADHM CC(C)Oc1ccccc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824334548 608067268 /nfs/dbraw/zinc/06/72/68/608067268.db2.gz XNSSVGYVCZQKPI-FQEVSTJZSA-N -1 3 379.464 3.227 20 0 GGADHM CC(C)Oc1ccccc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824334548 608067269 /nfs/dbraw/zinc/06/72/69/608067269.db2.gz XNSSVGYVCZQKPI-FQEVSTJZSA-N -1 3 379.464 3.227 20 0 GGADHM Fc1ccccc1SCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826378630 608067657 /nfs/dbraw/zinc/06/76/57/608067657.db2.gz SWZRYPZKPBPLKR-KRWDZBQOSA-N -1 3 385.468 3.171 20 0 GGADHM Fc1ccccc1SCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826378630 608067658 /nfs/dbraw/zinc/06/76/58/608067658.db2.gz SWZRYPZKPBPLKR-KRWDZBQOSA-N -1 3 385.468 3.171 20 0 GGADHM Clc1cccc(OCCCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826353459 608069817 /nfs/dbraw/zinc/06/98/17/608069817.db2.gz QBEIERTYCQGSGC-IBGZPJMESA-N -1 3 399.882 3.363 20 0 GGADHM Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1C ZINC000826299591 608072751 /nfs/dbraw/zinc/07/27/51/608072751.db2.gz LXYZGOWGYHFHBF-GOSISDBHSA-N -1 3 378.436 3.089 20 0 GGADHM Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1C ZINC000826299591 608072752 /nfs/dbraw/zinc/07/27/52/608072752.db2.gz LXYZGOWGYHFHBF-GOSISDBHSA-N -1 3 378.436 3.089 20 0 GGADHM O=C(NCCCF)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826436844 608074528 /nfs/dbraw/zinc/07/45/28/608074528.db2.gz LMPFGHDWMGTPNU-UHFFFAOYSA-N -1 3 375.791 3.402 20 0 GGADHM O=C(NCCCF)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826436844 608074529 /nfs/dbraw/zinc/07/45/29/608074529.db2.gz LMPFGHDWMGTPNU-UHFFFAOYSA-N -1 3 375.791 3.402 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826289285 608081769 /nfs/dbraw/zinc/08/17/69/608081769.db2.gz TZSLNQYHQZSGAL-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826289285 608081770 /nfs/dbraw/zinc/08/17/70/608081770.db2.gz TZSLNQYHQZSGAL-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM C[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccc(F)cc1 ZINC000824384790 608083048 /nfs/dbraw/zinc/08/30/48/608083048.db2.gz HNPXJFJNGMOOOW-IFXJQAMLSA-N -1 3 395.438 3.100 20 0 GGADHM C[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccc(F)cc1 ZINC000824384790 608083049 /nfs/dbraw/zinc/08/30/49/608083049.db2.gz HNPXJFJNGMOOOW-IFXJQAMLSA-N -1 3 395.438 3.100 20 0 GGADHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826281824 608084666 /nfs/dbraw/zinc/08/46/66/608084666.db2.gz LLZLZAKHDGUFHY-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826281824 608084667 /nfs/dbraw/zinc/08/46/67/608084667.db2.gz LLZLZAKHDGUFHY-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM O=C(/C=C/Sc1ccccc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826399624 608089735 /nfs/dbraw/zinc/08/97/35/608089735.db2.gz AUDMWRVWTCCNBU-PEKVBPLLSA-N -1 3 393.472 3.073 20 0 GGADHM O=C(/C=C/Sc1ccccc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826399624 608089736 /nfs/dbraw/zinc/08/97/36/608089736.db2.gz AUDMWRVWTCCNBU-PEKVBPLLSA-N -1 3 393.472 3.073 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000823826140 608098330 /nfs/dbraw/zinc/09/83/30/608098330.db2.gz DGXATMFAMZDCKP-FRRDWIJNSA-N -1 3 398.355 3.421 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824966609 608100120 /nfs/dbraw/zinc/10/01/20/608100120.db2.gz CLZWDUJIXQUYNB-XIKOKIGWSA-N -1 3 380.427 3.129 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824966609 608100121 /nfs/dbraw/zinc/10/01/21/608100121.db2.gz CLZWDUJIXQUYNB-XIKOKIGWSA-N -1 3 380.427 3.129 20 0 GGADHM O=C(NCc1ccccc1)c1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826442965 608101444 /nfs/dbraw/zinc/10/14/44/608101444.db2.gz SVABWAXLOUTYGA-UHFFFAOYSA-N -1 3 390.472 3.470 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1scnc1C1CC1 ZINC000824206779 608101605 /nfs/dbraw/zinc/10/16/05/608101605.db2.gz IQPVEWTWWQDBCQ-OAHLLOKOSA-N -1 3 384.465 3.243 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1scnc1C1CC1 ZINC000824206779 608101606 /nfs/dbraw/zinc/10/16/06/608101606.db2.gz IQPVEWTWWQDBCQ-OAHLLOKOSA-N -1 3 384.465 3.243 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000826278275 608106074 /nfs/dbraw/zinc/10/60/74/608106074.db2.gz WMHSOHDBBNDTCB-OAHLLOKOSA-N -1 3 395.442 3.105 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000826278275 608106075 /nfs/dbraw/zinc/10/60/75/608106075.db2.gz WMHSOHDBBNDTCB-OAHLLOKOSA-N -1 3 395.442 3.105 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824970770 608107635 /nfs/dbraw/zinc/10/76/35/608107635.db2.gz XYLDBTXPQPHFCY-KUHUBIRLSA-N -1 3 376.464 3.332 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824970770 608107636 /nfs/dbraw/zinc/10/76/36/608107636.db2.gz XYLDBTXPQPHFCY-KUHUBIRLSA-N -1 3 376.464 3.332 20 0 GGADHM C[C@@H]1OCC[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000825020805 608115428 /nfs/dbraw/zinc/11/54/28/608115428.db2.gz MFODVWBBDKQHCN-MEDUHNTESA-N -1 3 399.838 3.220 20 0 GGADHM C[C@@H]1OCC[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000825020805 608115429 /nfs/dbraw/zinc/11/54/29/608115429.db2.gz MFODVWBBDKQHCN-MEDUHNTESA-N -1 3 399.838 3.220 20 0 GGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824053297 608117272 /nfs/dbraw/zinc/11/72/72/608117272.db2.gz XMCLCGVCHGYFIC-NSHDSACASA-N -1 3 383.358 3.245 20 0 GGADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824053297 608117273 /nfs/dbraw/zinc/11/72/73/608117273.db2.gz XMCLCGVCHGYFIC-NSHDSACASA-N -1 3 383.358 3.245 20 0 GGADHM CC(C)(C)[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824071584 608119512 /nfs/dbraw/zinc/11/95/12/608119512.db2.gz KASDPMOJEYDMCL-BXUZGUMPSA-N -1 3 378.864 3.235 20 0 GGADHM CC(C)(C)[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824071584 608119513 /nfs/dbraw/zinc/11/95/13/608119513.db2.gz KASDPMOJEYDMCL-BXUZGUMPSA-N -1 3 378.864 3.235 20 0 GGADHM CNc1ncc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826098863 608119848 /nfs/dbraw/zinc/11/98/48/608119848.db2.gz RWXIKWVLYOVCAA-UHFFFAOYSA-N -1 3 393.432 3.410 20 0 GGADHM CNc1ncc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826098863 608119849 /nfs/dbraw/zinc/11/98/49/608119849.db2.gz RWXIKWVLYOVCAA-UHFFFAOYSA-N -1 3 393.432 3.410 20 0 GGADHM C[C@H](C[C@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000824390998 608123065 /nfs/dbraw/zinc/12/30/65/608123065.db2.gz FZTOMHQRAMUGJO-BMIGLBTASA-N -1 3 384.827 3.007 20 0 GGADHM C[C@H](C[C@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000824390998 608123066 /nfs/dbraw/zinc/12/30/66/608123066.db2.gz FZTOMHQRAMUGJO-BMIGLBTASA-N -1 3 384.827 3.007 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccccc1-c1nccs1 ZINC000826256493 608125281 /nfs/dbraw/zinc/12/52/81/608125281.db2.gz MDDHKSDJFVSUJY-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccccc1-c1nccs1 ZINC000826256493 608125282 /nfs/dbraw/zinc/12/52/82/608125282.db2.gz MDDHKSDJFVSUJY-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM CC[C@@H]1CCC[C@H](CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000825194065 608131506 /nfs/dbraw/zinc/13/15/06/608131506.db2.gz OWTYEILUFUZRTN-CVEARBPZSA-N -1 3 384.528 3.456 20 0 GGADHM CC[C@@H]1CCC[C@H](CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000825194065 608131507 /nfs/dbraw/zinc/13/15/07/608131507.db2.gz OWTYEILUFUZRTN-CVEARBPZSA-N -1 3 384.528 3.456 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264662 608131938 /nfs/dbraw/zinc/13/19/38/608131938.db2.gz VYQQKKQOFOUEDW-SJLPKXTDSA-N -1 3 391.475 3.267 20 0 GGADHM CCSc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825674636 608137878 /nfs/dbraw/zinc/13/78/78/608137878.db2.gz PCZVYFIWTMBNEU-UHFFFAOYSA-N -1 3 399.476 3.256 20 0 GGADHM CCSc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825674636 608137879 /nfs/dbraw/zinc/13/78/79/608137879.db2.gz PCZVYFIWTMBNEU-UHFFFAOYSA-N -1 3 399.476 3.256 20 0 GGADHM CCC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC)c1ccccc1 ZINC000825225316 608138434 /nfs/dbraw/zinc/13/84/34/608138434.db2.gz RHPUKNBUZIIVLD-QGZVFWFLSA-N -1 3 395.463 3.414 20 0 GGADHM CCC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC)c1ccccc1 ZINC000825225316 608138435 /nfs/dbraw/zinc/13/84/35/608138435.db2.gz RHPUKNBUZIIVLD-QGZVFWFLSA-N -1 3 395.463 3.414 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1oc2ccccc2c1C ZINC000826161921 608138616 /nfs/dbraw/zinc/13/86/16/608138616.db2.gz FPVXCPNOCMCAIG-UHFFFAOYSA-N -1 3 393.403 3.199 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1oc2ccccc2c1C ZINC000826161921 608138617 /nfs/dbraw/zinc/13/86/17/608138617.db2.gz FPVXCPNOCMCAIG-UHFFFAOYSA-N -1 3 393.403 3.199 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826231425 608139863 /nfs/dbraw/zinc/13/98/63/608139863.db2.gz KRKVZCWCYGCQMM-NSHDSACASA-N -1 3 386.525 3.369 20 0 GGADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000825015074 608141013 /nfs/dbraw/zinc/14/10/13/608141013.db2.gz ZPDBCXUGPYFGCQ-SNVBAGLBSA-N -1 3 388.884 3.247 20 0 GGADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000825015074 608141014 /nfs/dbraw/zinc/14/10/14/608141014.db2.gz ZPDBCXUGPYFGCQ-SNVBAGLBSA-N -1 3 388.884 3.247 20 0 GGADHM C[C@H](C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1 ZINC000826232127 608141844 /nfs/dbraw/zinc/14/18/44/608141844.db2.gz QFBVAXHGYIYVJA-AWEZNQCLSA-N -1 3 389.415 3.141 20 0 GGADHM C[C@H](C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccccc1 ZINC000826232127 608141845 /nfs/dbraw/zinc/14/18/45/608141845.db2.gz QFBVAXHGYIYVJA-AWEZNQCLSA-N -1 3 389.415 3.141 20 0 GGADHM O=C1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477573 608149370 /nfs/dbraw/zinc/14/93/70/608149370.db2.gz GULRUTUSFQRCND-CQSZACIVSA-N -1 3 390.781 3.016 20 0 GGADHM O=C1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477573 608149371 /nfs/dbraw/zinc/14/93/71/608149371.db2.gz GULRUTUSFQRCND-CQSZACIVSA-N -1 3 390.781 3.016 20 0 GGADHM CN1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000826029082 608150413 /nfs/dbraw/zinc/15/04/13/608150413.db2.gz NZQRBLYVPBMVBJ-LSDHHAIUSA-N -1 3 391.813 3.051 20 0 GGADHM CN1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000826029082 608150415 /nfs/dbraw/zinc/15/04/15/608150415.db2.gz NZQRBLYVPBMVBJ-LSDHHAIUSA-N -1 3 391.813 3.051 20 0 GGADHM CN1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029649 608150418 /nfs/dbraw/zinc/15/04/18/608150418.db2.gz VFERIOBYJXPZTO-CZUORRHYSA-N -1 3 391.813 3.051 20 0 GGADHM CN1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029649 608150420 /nfs/dbraw/zinc/15/04/20/608150420.db2.gz VFERIOBYJXPZTO-CZUORRHYSA-N -1 3 391.813 3.051 20 0 GGADHM O=C(CCCC(F)(F)F)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000826405670 608151014 /nfs/dbraw/zinc/15/10/14/608151014.db2.gz ORHNBESEWDWGAT-UHFFFAOYSA-N -1 3 395.307 3.490 20 0 GGADHM O=C(CCCC(F)(F)F)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000826405670 608151016 /nfs/dbraw/zinc/15/10/16/608151016.db2.gz ORHNBESEWDWGAT-UHFFFAOYSA-N -1 3 395.307 3.490 20 0 GGADHM Cc1cc([C@@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCO2)ccc1F ZINC000826266280 608151306 /nfs/dbraw/zinc/15/13/06/608151306.db2.gz JMHSRSOVMGNJIP-IBGZPJMESA-N -1 3 390.422 3.440 20 0 GGADHM Cc1cc([C@@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCO2)ccc1F ZINC000826266280 608151307 /nfs/dbraw/zinc/15/13/07/608151307.db2.gz JMHSRSOVMGNJIP-IBGZPJMESA-N -1 3 390.422 3.440 20 0 GGADHM CCN(Cc1cccc(Cl)c1)[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435462 608153060 /nfs/dbraw/zinc/15/30/60/608153060.db2.gz ZBOHXXXKZHHPSY-QGZVFWFLSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1cccc(Cl)c1)[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435462 608153062 /nfs/dbraw/zinc/15/30/62/608153062.db2.gz ZBOHXXXKZHHPSY-QGZVFWFLSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1cccc(Cl)c1)[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435461 608153143 /nfs/dbraw/zinc/15/31/43/608153143.db2.gz ZBOHXXXKZHHPSY-KRWDZBQOSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1cccc(Cl)c1)[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435461 608153144 /nfs/dbraw/zinc/15/31/44/608153144.db2.gz ZBOHXXXKZHHPSY-KRWDZBQOSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435333 608155259 /nfs/dbraw/zinc/15/52/59/608155259.db2.gz UPEHJHCXHIBCPL-KRWDZBQOSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435333 608155261 /nfs/dbraw/zinc/15/52/61/608155261.db2.gz UPEHJHCXHIBCPL-KRWDZBQOSA-N -1 3 385.855 3.256 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2CCO[C@H]2C)cc1 ZINC000826176467 608156985 /nfs/dbraw/zinc/15/69/85/608156985.db2.gz QPUHHFJMPHEMTO-BLLLJJGKSA-N -1 3 395.419 3.031 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CCO[C@H]2C)cc1 ZINC000826176467 608156986 /nfs/dbraw/zinc/15/69/86/608156986.db2.gz QPUHHFJMPHEMTO-BLLLJJGKSA-N -1 3 395.419 3.031 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C)cc1 ZINC000826176469 608158801 /nfs/dbraw/zinc/15/88/01/608158801.db2.gz QPUHHFJMPHEMTO-MLGOLLRUSA-N -1 3 395.419 3.031 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C)cc1 ZINC000826176469 608158803 /nfs/dbraw/zinc/15/88/03/608158803.db2.gz QPUHHFJMPHEMTO-MLGOLLRUSA-N -1 3 395.419 3.031 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1CCO[C@H]1C ZINC000826271914 608158815 /nfs/dbraw/zinc/15/88/15/608158815.db2.gz MUDCVMHJBWGQKK-KBXCAEBGSA-N -1 3 393.447 3.118 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1CCO[C@H]1C ZINC000826271914 608158816 /nfs/dbraw/zinc/15/88/16/608158816.db2.gz MUDCVMHJBWGQKK-KBXCAEBGSA-N -1 3 393.447 3.118 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000826371919 608160314 /nfs/dbraw/zinc/16/03/14/608160314.db2.gz ZCFBOXOXJYZXJD-UHFFFAOYSA-N -1 3 376.399 3.280 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000826371919 608160316 /nfs/dbraw/zinc/16/03/16/608160316.db2.gz ZCFBOXOXJYZXJD-UHFFFAOYSA-N -1 3 376.399 3.280 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826440615 608160983 /nfs/dbraw/zinc/16/09/83/608160983.db2.gz UDFCLCSGXXRZCO-UHFFFAOYSA-N -1 3 385.830 3.298 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826440615 608160985 /nfs/dbraw/zinc/16/09/85/608160985.db2.gz UDFCLCSGXXRZCO-UHFFFAOYSA-N -1 3 385.830 3.298 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCC1(Cc2ccc(F)cc2)CC1 ZINC000826408868 608163842 /nfs/dbraw/zinc/16/38/42/608163842.db2.gz YETRRYQDYYHKGB-UHFFFAOYSA-N -1 3 379.439 3.078 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCC1(Cc2ccc(F)cc2)CC1 ZINC000826408868 608163843 /nfs/dbraw/zinc/16/38/43/608163843.db2.gz YETRRYQDYYHKGB-UHFFFAOYSA-N -1 3 379.439 3.078 20 0 GGADHM CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825796359 608164784 /nfs/dbraw/zinc/16/47/84/608164784.db2.gz DIOCZKDCGILGNY-GFCCVEGCSA-N -1 3 393.476 3.356 20 0 GGADHM CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825796359 608164786 /nfs/dbraw/zinc/16/47/86/608164786.db2.gz DIOCZKDCGILGNY-GFCCVEGCSA-N -1 3 393.476 3.356 20 0 GGADHM Cn1c2ccccc2nc1SCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826356268 608165333 /nfs/dbraw/zinc/16/53/33/608165333.db2.gz JDZUUZMCCKKIHZ-UHFFFAOYSA-N -1 3 399.867 3.138 20 0 GGADHM Cn1c2ccccc2nc1SCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826356268 608165335 /nfs/dbraw/zinc/16/53/35/608165335.db2.gz JDZUUZMCCKKIHZ-UHFFFAOYSA-N -1 3 399.867 3.138 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc2cccnc21 ZINC000825796750 608174344 /nfs/dbraw/zinc/17/43/44/608174344.db2.gz LYMUFPATCXKLHF-UHFFFAOYSA-N -1 3 384.403 3.037 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc2cccnc21 ZINC000825796750 608174345 /nfs/dbraw/zinc/17/43/45/608174345.db2.gz LYMUFPATCXKLHF-UHFFFAOYSA-N -1 3 384.403 3.037 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc2c(s1)CCC2 ZINC000825793583 608174765 /nfs/dbraw/zinc/17/47/65/608174765.db2.gz WZZIYOKVSCBWJO-UHFFFAOYSA-N -1 3 379.449 3.039 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc2c(s1)CCC2 ZINC000825793583 608174766 /nfs/dbraw/zinc/17/47/66/608174766.db2.gz WZZIYOKVSCBWJO-UHFFFAOYSA-N -1 3 379.449 3.039 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H]1CCCc2sccc21 ZINC000825787486 608174929 /nfs/dbraw/zinc/17/49/29/608174929.db2.gz GPGGFASHOLOCHH-ZDUSSCGKSA-N -1 3 393.476 3.356 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H]1CCCc2sccc21 ZINC000825787486 608174930 /nfs/dbraw/zinc/17/49/30/608174930.db2.gz GPGGFASHOLOCHH-ZDUSSCGKSA-N -1 3 393.476 3.356 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000825787724 608174953 /nfs/dbraw/zinc/17/49/53/608174953.db2.gz JUEDLWOICAKZKV-CABCVRRESA-N -1 3 391.410 3.118 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000825787724 608174954 /nfs/dbraw/zinc/17/49/54/608174954.db2.gz JUEDLWOICAKZKV-CABCVRRESA-N -1 3 391.410 3.118 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C(F)F)cc1 ZINC000825792964 608176211 /nfs/dbraw/zinc/17/62/11/608176211.db2.gz HCRNOHUIPCTQDA-UHFFFAOYSA-N -1 3 383.362 3.426 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C(F)F)cc1 ZINC000825792964 608176213 /nfs/dbraw/zinc/17/62/13/608176213.db2.gz HCRNOHUIPCTQDA-UHFFFAOYSA-N -1 3 383.362 3.426 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(Cl)cc1C ZINC000825793644 608176394 /nfs/dbraw/zinc/17/63/94/608176394.db2.gz ZWPTYEUEVWLEQB-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(Cl)cc1C ZINC000825793644 608176395 /nfs/dbraw/zinc/17/63/95/608176395.db2.gz ZWPTYEUEVWLEQB-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cnc2ccsc2c1 ZINC000825796814 608177944 /nfs/dbraw/zinc/17/79/44/608177944.db2.gz PCMSTJIXLORPBW-UHFFFAOYSA-N -1 3 390.432 3.098 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cnc2ccsc2c1 ZINC000825796814 608177945 /nfs/dbraw/zinc/17/79/45/608177945.db2.gz PCMSTJIXLORPBW-UHFFFAOYSA-N -1 3 390.432 3.098 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(Cl)c(C)c1 ZINC000825793080 608178878 /nfs/dbraw/zinc/17/88/78/608178878.db2.gz MIENFHPQBVRIBR-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(Cl)c(C)c1 ZINC000825793080 608178880 /nfs/dbraw/zinc/17/88/80/608178880.db2.gz MIENFHPQBVRIBR-UHFFFAOYSA-N -1 3 381.827 3.450 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 ZINC000825313305 608188425 /nfs/dbraw/zinc/18/84/25/608188425.db2.gz ACYGVKGYWBWPNV-UZLBHIALSA-N -1 3 393.491 3.078 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 ZINC000825313305 608188426 /nfs/dbraw/zinc/18/84/26/608188426.db2.gz ACYGVKGYWBWPNV-UZLBHIALSA-N -1 3 393.491 3.078 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccc(C(F)F)cc1 ZINC000826443942 608192757 /nfs/dbraw/zinc/19/27/57/608192757.db2.gz KOCJODZJYVKKSH-UHFFFAOYSA-N -1 3 395.373 3.124 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc(C(F)F)cc1 ZINC000826443942 608192758 /nfs/dbraw/zinc/19/27/58/608192758.db2.gz KOCJODZJYVKKSH-UHFFFAOYSA-N -1 3 395.373 3.124 20 0 GGADHM CC1(C)CCCC[C@H]1CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000824803008 608193373 /nfs/dbraw/zinc/19/33/73/608193373.db2.gz RDXJWIOGWHPBKT-INIZCTEOSA-N -1 3 393.495 3.480 20 0 GGADHM CC1(C)CCCC[C@H]1CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000824803008 608193378 /nfs/dbraw/zinc/19/33/78/608193378.db2.gz RDXJWIOGWHPBKT-INIZCTEOSA-N -1 3 393.495 3.480 20 0 GGADHM CC[C@@H](C)N(OC)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825066602 608193558 /nfs/dbraw/zinc/19/35/58/608193558.db2.gz CGKAIUODTYSKCU-CQSZACIVSA-N -1 3 381.436 3.248 20 0 GGADHM CC[C@@H](C)N(OC)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825066602 608193560 /nfs/dbraw/zinc/19/35/60/608193560.db2.gz CGKAIUODTYSKCU-CQSZACIVSA-N -1 3 381.436 3.248 20 0 GGADHM CN1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028515 608194263 /nfs/dbraw/zinc/19/42/63/608194263.db2.gz BMLGNBXJXSQJPA-JQWIXIFHSA-N -1 3 397.842 3.112 20 0 GGADHM CN1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028515 608194265 /nfs/dbraw/zinc/19/42/65/608194265.db2.gz BMLGNBXJXSQJPA-JQWIXIFHSA-N -1 3 397.842 3.112 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H](O)C(C)(C)C)cc1 ZINC000826176366 608196948 /nfs/dbraw/zinc/19/69/48/608196948.db2.gz LWYYQMYWNIHKSC-QGZVFWFLSA-N -1 3 397.435 3.013 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H](O)C(C)(C)C)cc1 ZINC000826176366 608196950 /nfs/dbraw/zinc/19/69/50/608196950.db2.gz LWYYQMYWNIHKSC-QGZVFWFLSA-N -1 3 397.435 3.013 20 0 GGADHM O=C1C[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CN1c1c(F)cccc1F ZINC000826479133 608198058 /nfs/dbraw/zinc/19/80/58/608198058.db2.gz RDEGLCHALIBNNC-JTQLQIEISA-N -1 3 390.781 3.016 20 0 GGADHM O=C1C[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CN1c1c(F)cccc1F ZINC000826479133 608198059 /nfs/dbraw/zinc/19/80/59/608198059.db2.gz RDEGLCHALIBNNC-JTQLQIEISA-N -1 3 390.781 3.016 20 0 GGADHM Cc1ccsc1CNC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826316340 608207614 /nfs/dbraw/zinc/20/76/14/608207614.db2.gz KPYVSDSUVYQUCN-UHFFFAOYSA-N -1 3 379.898 3.299 20 0 GGADHM Cc1ccsc1CNC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826316340 608207615 /nfs/dbraw/zinc/20/76/15/608207615.db2.gz KPYVSDSUVYQUCN-UHFFFAOYSA-N -1 3 379.898 3.299 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NCc1ccccc1F ZINC000826421153 608208152 /nfs/dbraw/zinc/20/81/52/608208152.db2.gz UNGZFZBDWBJQAV-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NCc1ccccc1F ZINC000826421153 608208153 /nfs/dbraw/zinc/20/81/53/608208153.db2.gz UNGZFZBDWBJQAV-UHFFFAOYSA-N -1 3 377.832 3.068 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1-c1nnn[n-]1 ZINC000825538504 608209081 /nfs/dbraw/zinc/20/90/81/608209081.db2.gz IGEIGKKHXHMURF-OAHLLOKOSA-N -1 3 399.455 3.279 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1-c1nn[n-]n1 ZINC000825538504 608209083 /nfs/dbraw/zinc/20/90/83/608209083.db2.gz IGEIGKKHXHMURF-OAHLLOKOSA-N -1 3 399.455 3.279 20 0 GGADHM Cn1ccnc1[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000826363765 608221701 /nfs/dbraw/zinc/22/17/01/608221701.db2.gz BAROKHWSPQSLGF-IBGZPJMESA-N -1 3 382.431 3.350 20 0 GGADHM Cn1ccnc1[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826363765 608221703 /nfs/dbraw/zinc/22/17/03/608221703.db2.gz BAROKHWSPQSLGF-IBGZPJMESA-N -1 3 382.431 3.350 20 0 GGADHM Clc1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc2c1OCCO2 ZINC000826351091 608221851 /nfs/dbraw/zinc/22/18/51/608221851.db2.gz WTSAPGMPUWQWLL-UHFFFAOYSA-N -1 3 394.822 3.452 20 0 GGADHM Clc1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc2c1OCCO2 ZINC000826351091 608221853 /nfs/dbraw/zinc/22/18/53/608221853.db2.gz WTSAPGMPUWQWLL-UHFFFAOYSA-N -1 3 394.822 3.452 20 0 GGADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2c(c1)CCC(=O)N2 ZINC000824656840 608223092 /nfs/dbraw/zinc/22/30/92/608223092.db2.gz NINQTRAIQSIXIO-GFCCVEGCSA-N -1 3 385.431 3.473 20 0 GGADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2c(c1)CCC(=O)N2 ZINC000824656840 608223094 /nfs/dbraw/zinc/22/30/94/608223094.db2.gz NINQTRAIQSIXIO-GFCCVEGCSA-N -1 3 385.431 3.473 20 0 GGADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2c(c1)CCC(=O)N2 ZINC000824656842 608223233 /nfs/dbraw/zinc/22/32/33/608223233.db2.gz NINQTRAIQSIXIO-LBPRGKRZSA-N -1 3 385.431 3.473 20 0 GGADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2c(c1)CCC(=O)N2 ZINC000824656842 608223234 /nfs/dbraw/zinc/22/32/34/608223234.db2.gz NINQTRAIQSIXIO-LBPRGKRZSA-N -1 3 385.431 3.473 20 0 GGADHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1ccc3cc(-c4nn[n-]n4)ccc3n1)C2 ZINC000824135174 608224990 /nfs/dbraw/zinc/22/49/90/608224990.db2.gz BOBMSKHWGRGLDZ-OAHLLOKOSA-N -1 3 388.479 3.336 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccnc(OC2CCCCC2)c1 ZINC000826441464 608227131 /nfs/dbraw/zinc/22/71/31/608227131.db2.gz FVZLAJYEDAYLPX-UHFFFAOYSA-N -1 3 396.426 3.042 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccnc(OC2CCCCC2)c1 ZINC000826441464 608227132 /nfs/dbraw/zinc/22/71/32/608227132.db2.gz FVZLAJYEDAYLPX-UHFFFAOYSA-N -1 3 396.426 3.042 20 0 GGADHM CC(C)(C)Oc1cc(F)ccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824119719 608227208 /nfs/dbraw/zinc/22/72/08/608227208.db2.gz OYQAXIGXNOIUSP-UHFFFAOYSA-N -1 3 384.415 3.234 20 0 GGADHM CC(C)(C)Oc1cc(F)ccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824119719 608227210 /nfs/dbraw/zinc/22/72/10/608227210.db2.gz OYQAXIGXNOIUSP-UHFFFAOYSA-N -1 3 384.415 3.234 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824390567 608233327 /nfs/dbraw/zinc/23/33/27/608233327.db2.gz BLIGCZAXWRNJMI-KZULUSFZSA-N -1 3 378.411 3.478 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824390567 608233329 /nfs/dbraw/zinc/23/33/29/608233329.db2.gz BLIGCZAXWRNJMI-KZULUSFZSA-N -1 3 378.411 3.478 20 0 GGADHM CC(=O)N1CC[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)c2ccccc21 ZINC000823973048 608233680 /nfs/dbraw/zinc/23/36/80/608233680.db2.gz HMTHLFDUYWBPHG-GOSISDBHSA-N -1 3 385.431 3.325 20 0 GGADHM CC(=O)N1CC[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)c2ccccc21 ZINC000823973048 608233682 /nfs/dbraw/zinc/23/36/82/608233682.db2.gz HMTHLFDUYWBPHG-GOSISDBHSA-N -1 3 385.431 3.325 20 0 GGADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(-n2ccnn2)cc1 ZINC000824655528 608234406 /nfs/dbraw/zinc/23/44/06/608234406.db2.gz DDFRCVDHGVSUSW-CYBMUJFWSA-N -1 3 383.419 3.169 20 0 GGADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(-n2ccnn2)cc1 ZINC000824655528 608234408 /nfs/dbraw/zinc/23/44/08/608234408.db2.gz DDFRCVDHGVSUSW-CYBMUJFWSA-N -1 3 383.419 3.169 20 0 GGADHM Cc1nc(-c2cc3c(s2)CCN(c2ncccc2-c2nnn[n-]2)C3)cs1 ZINC000826322478 608236983 /nfs/dbraw/zinc/23/69/83/608236983.db2.gz OCODANAKOANUTL-UHFFFAOYSA-N -1 3 381.490 3.318 20 0 GGADHM Cc1nc(-c2cc3c(s2)CCN(c2ncccc2-c2nn[n-]n2)C3)cs1 ZINC000826322478 608236985 /nfs/dbraw/zinc/23/69/85/608236985.db2.gz OCODANAKOANUTL-UHFFFAOYSA-N -1 3 381.490 3.318 20 0 GGADHM COc1ccc(COCCNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000826206741 608237820 /nfs/dbraw/zinc/23/78/20/608237820.db2.gz JIDJWJYRNROEDP-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM COc1ccc(COCCNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000826206741 608237821 /nfs/dbraw/zinc/23/78/21/608237821.db2.gz JIDJWJYRNROEDP-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM CSc1cc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)ccn1 ZINC000826230309 608241359 /nfs/dbraw/zinc/24/13/59/608241359.db2.gz NGFBSANOLHUKCC-UHFFFAOYSA-N -1 3 383.868 3.219 20 0 GGADHM CSc1cc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)ccn1 ZINC000826230309 608241360 /nfs/dbraw/zinc/24/13/60/608241360.db2.gz NGFBSANOLHUKCC-UHFFFAOYSA-N -1 3 383.868 3.219 20 0 GGADHM COc1ccc(CN[C@H](c2cccc(F)c2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000826202341 608243104 /nfs/dbraw/zinc/24/31/04/608243104.db2.gz XFMTUARYNNTAFJ-HXUWFJFHSA-N -1 3 390.422 3.289 20 0 GGADHM COc1ccc(CN[C@H](c2cccc(F)c2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000826202341 608243105 /nfs/dbraw/zinc/24/31/05/608243105.db2.gz XFMTUARYNNTAFJ-HXUWFJFHSA-N -1 3 390.422 3.289 20 0 GGADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826401344 608243679 /nfs/dbraw/zinc/24/36/79/608243679.db2.gz WGTQYHIZDVKWHV-KRXBUXKQSA-N -1 3 396.414 3.186 20 0 GGADHM Cc1cccc([C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826296194 608246097 /nfs/dbraw/zinc/24/60/97/608246097.db2.gz MISUJIGMJGXYHS-GNNUASRNSA-N -1 3 396.454 3.489 20 0 GGADHM Cc1cccc([C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826296194 608246099 /nfs/dbraw/zinc/24/60/99/608246099.db2.gz MISUJIGMJGXYHS-GNNUASRNSA-N -1 3 396.454 3.489 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(F)c1Cl ZINC000824738713 608251589 /nfs/dbraw/zinc/25/15/89/608251589.db2.gz QVFHNEOTLUUAPF-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM O=C(C=Cc1ccc2[nH]ccc2c1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826401062 608252542 /nfs/dbraw/zinc/25/25/42/608252542.db2.gz OQSOZTLDCZVTDF-OQFOIZHKSA-N -1 3 389.415 3.374 20 0 GGADHM O=C(OCc1c(F)cccc1Br)c1sccc1-c1nnn[n-]1 ZINC000826464230 608254182 /nfs/dbraw/zinc/25/41/82/608254182.db2.gz NUKXWWMXOLCUTG-UHFFFAOYSA-N -1 3 383.202 3.187 20 0 GGADHM FC(F)Oc1ccc([C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826369779 608259284 /nfs/dbraw/zinc/25/92/84/608259284.db2.gz QDAQLLVVYPAJRC-QGZVFWFLSA-N -1 3 387.390 3.042 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826452488 608259411 /nfs/dbraw/zinc/25/94/11/608259411.db2.gz VHTBMLUEVRCHFD-CXAGYDPISA-N -1 3 398.854 3.419 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826452488 608259413 /nfs/dbraw/zinc/25/94/13/608259413.db2.gz VHTBMLUEVRCHFD-CXAGYDPISA-N -1 3 398.854 3.419 20 0 GGADHM CCOCCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825594020 608260235 /nfs/dbraw/zinc/26/02/35/608260235.db2.gz HQYZMMZDAWMLAY-UHFFFAOYSA-N -1 3 396.451 3.468 20 0 GGADHM CCOCCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825594020 608260236 /nfs/dbraw/zinc/26/02/36/608260236.db2.gz HQYZMMZDAWMLAY-UHFFFAOYSA-N -1 3 396.451 3.468 20 0 GGADHM CCn1c(SCc2ccc(-c3nnn[n-]3)cc2OC)nnc1-c1ccco1 ZINC000825796391 608260519 /nfs/dbraw/zinc/26/05/19/608260519.db2.gz DWTRSQYKTITYQJ-UHFFFAOYSA-N -1 3 383.437 3.039 20 0 GGADHM CCn1c(SCc2ccc(-c3nn[n-]n3)cc2OC)nnc1-c1ccco1 ZINC000825796391 608260521 /nfs/dbraw/zinc/26/05/21/608260521.db2.gz DWTRSQYKTITYQJ-UHFFFAOYSA-N -1 3 383.437 3.039 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(Br)cc1C=O ZINC000826173083 608260748 /nfs/dbraw/zinc/26/07/48/608260748.db2.gz MHHNFUAPHQHNKO-UHFFFAOYSA-N -1 3 389.209 3.029 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(Br)cc1C=O ZINC000826173083 608260750 /nfs/dbraw/zinc/26/07/50/608260750.db2.gz MHHNFUAPHQHNKO-UHFFFAOYSA-N -1 3 389.209 3.029 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000826172844 608263970 /nfs/dbraw/zinc/26/39/70/608263970.db2.gz AIBHHNYNPNZWHG-UHFFFAOYSA-N -1 3 390.403 3.382 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000826172844 608263972 /nfs/dbraw/zinc/26/39/72/608263972.db2.gz AIBHHNYNPNZWHG-UHFFFAOYSA-N -1 3 390.403 3.382 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2[C@H](CC)CC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000825538485 608269869 /nfs/dbraw/zinc/26/98/69/608269869.db2.gz HYFLTTXTUKICNJ-WCQYABFASA-N -1 3 387.444 3.230 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2[C@H](CC)CC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000825538485 608269871 /nfs/dbraw/zinc/26/98/71/608269871.db2.gz HYFLTTXTUKICNJ-WCQYABFASA-N -1 3 387.444 3.230 20 0 GGADHM CN(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825812795 608274240 /nfs/dbraw/zinc/27/42/40/608274240.db2.gz UPQKSLBFBYJOEV-HNNXBMFYSA-N -1 3 392.246 3.260 20 0 GGADHM CN(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825812795 608274242 /nfs/dbraw/zinc/27/42/42/608274242.db2.gz UPQKSLBFBYJOEV-HNNXBMFYSA-N -1 3 392.246 3.260 20 0 GGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1nc(C)ccc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000825615727 608284306 /nfs/dbraw/zinc/28/43/06/608284306.db2.gz IMKAIGVZIVYNBS-PVUWLOKVSA-N -1 3 392.463 3.260 20 0 GGADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1nc(C)ccc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000825615727 608284308 /nfs/dbraw/zinc/28/43/08/608284308.db2.gz IMKAIGVZIVYNBS-PVUWLOKVSA-N -1 3 392.463 3.260 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc2ccccc2c1 ZINC000826504035 608287303 /nfs/dbraw/zinc/28/73/03/608287303.db2.gz LUAGSDGGYXFDJQ-HXUWFJFHSA-N -1 3 386.459 3.439 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc2ccccc2c1 ZINC000826504035 608287305 /nfs/dbraw/zinc/28/73/05/608287305.db2.gz LUAGSDGGYXFDJQ-HXUWFJFHSA-N -1 3 386.459 3.439 20 0 GGADHM CCCCn1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(C)n1 ZINC000825301801 608293722 /nfs/dbraw/zinc/29/37/22/608293722.db2.gz OYOKXOKOOGKXFG-UHFFFAOYSA-N -1 3 380.378 3.198 20 0 GGADHM CCCCn1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(C)n1 ZINC000825301801 608293723 /nfs/dbraw/zinc/29/37/23/608293723.db2.gz OYOKXOKOOGKXFG-UHFFFAOYSA-N -1 3 380.378 3.198 20 0 GGADHM O=c1[nH]ncc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1Cl ZINC000826501611 608295069 /nfs/dbraw/zinc/29/50/69/608295069.db2.gz YRPGGCHJEHBFQP-UHFFFAOYSA-N -1 3 379.811 3.295 20 0 GGADHM O=c1[nH]ncc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1Cl ZINC000826501611 608295071 /nfs/dbraw/zinc/29/50/71/608295071.db2.gz YRPGGCHJEHBFQP-UHFFFAOYSA-N -1 3 379.811 3.295 20 0 GGADHM Cc1nc2ncnn2c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C ZINC000826329106 608296062 /nfs/dbraw/zinc/29/60/62/608296062.db2.gz QHFNQECZLDMWMM-UHFFFAOYSA-N -1 3 397.446 3.200 20 0 GGADHM Cc1nc2ncnn2c(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C ZINC000826329106 608296064 /nfs/dbraw/zinc/29/60/64/608296064.db2.gz QHFNQECZLDMWMM-UHFFFAOYSA-N -1 3 397.446 3.200 20 0 GGADHM COc1ccc(CSCc2nnc(-c3ccccc3)n2C)cc1-c1nnn[n-]1 ZINC000826207772 608299211 /nfs/dbraw/zinc/29/92/11/608299211.db2.gz CQSBJQJMMBWITD-UHFFFAOYSA-N -1 3 393.476 3.104 20 0 GGADHM COc1ccc(CSCc2nnc(-c3ccccc3)n2C)cc1-c1nn[n-]n1 ZINC000826207772 608299212 /nfs/dbraw/zinc/29/92/12/608299212.db2.gz CQSBJQJMMBWITD-UHFFFAOYSA-N -1 3 393.476 3.104 20 0 GGADHM CC(C)(CO)[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000824161874 608299453 /nfs/dbraw/zinc/29/94/53/608299453.db2.gz ABANMVYAJVXZQL-SFHVURJKSA-N -1 3 392.507 3.355 20 0 GGADHM CC(C)(CO)[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000824161874 608299455 /nfs/dbraw/zinc/29/94/55/608299455.db2.gz ABANMVYAJVXZQL-SFHVURJKSA-N -1 3 392.507 3.355 20 0 GGADHM Cc1nc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)oc1C ZINC000826327047 608301978 /nfs/dbraw/zinc/30/19/78/608301978.db2.gz PWVNQVAQDBGGIN-UHFFFAOYSA-N -1 3 389.419 3.460 20 0 GGADHM Cc1nc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)oc1C ZINC000826327047 608301979 /nfs/dbraw/zinc/30/19/79/608301979.db2.gz PWVNQVAQDBGGIN-UHFFFAOYSA-N -1 3 389.419 3.460 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000824906492 608304771 /nfs/dbraw/zinc/30/47/71/608304771.db2.gz CHDKSMMWDAHECK-CRAIPNDOSA-N -1 3 391.475 3.498 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000824906492 608304772 /nfs/dbraw/zinc/30/47/72/608304772.db2.gz CHDKSMMWDAHECK-CRAIPNDOSA-N -1 3 391.475 3.498 20 0 GGADHM CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000825184406 608304864 /nfs/dbraw/zinc/30/48/64/608304864.db2.gz UDGMOJMIKHFMHL-APWZRJJASA-N -1 3 377.448 3.108 20 0 GGADHM CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000825184406 608304866 /nfs/dbraw/zinc/30/48/66/608304866.db2.gz UDGMOJMIKHFMHL-APWZRJJASA-N -1 3 377.448 3.108 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cc(Cl)c[nH]1 ZINC000826441073 608305879 /nfs/dbraw/zinc/30/58/79/608305879.db2.gz MTGCUWQXHLWIHC-UHFFFAOYSA-N -1 3 378.823 3.445 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cc(Cl)c[nH]1 ZINC000826441073 608305881 /nfs/dbraw/zinc/30/58/81/608305881.db2.gz MTGCUWQXHLWIHC-UHFFFAOYSA-N -1 3 378.823 3.445 20 0 GGADHM Cc1c(NC(=O)NCCc2csc(C(C)(C)C)n2)cccc1-c1nnn[n-]1 ZINC000826241996 608308099 /nfs/dbraw/zinc/30/80/99/608308099.db2.gz WNFRXPWLASKODF-UHFFFAOYSA-N -1 3 385.497 3.293 20 0 GGADHM Cc1c(NC(=O)NCCc2csc(C(C)(C)C)n2)cccc1-c1nn[n-]n1 ZINC000826241996 608308101 /nfs/dbraw/zinc/30/81/01/608308101.db2.gz WNFRXPWLASKODF-UHFFFAOYSA-N -1 3 385.497 3.293 20 0 GGADHM CC(C)Cn1ncc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824285153 608312381 /nfs/dbraw/zinc/31/23/81/608312381.db2.gz YZPZGFKGUIMYNA-UHFFFAOYSA-N -1 3 381.484 3.414 20 0 GGADHM CC(C)Cn1ncc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824285153 608312383 /nfs/dbraw/zinc/31/23/83/608312383.db2.gz YZPZGFKGUIMYNA-UHFFFAOYSA-N -1 3 381.484 3.414 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCCc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824499082 608312387 /nfs/dbraw/zinc/31/23/87/608312387.db2.gz NLRYVCYYCZCBFF-SGTLLEGYSA-N -1 3 380.427 3.444 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCCc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824499082 608312389 /nfs/dbraw/zinc/31/23/89/608312389.db2.gz NLRYVCYYCZCBFF-SGTLLEGYSA-N -1 3 380.427 3.444 20 0 GGADHM CC(C)Cn1ncc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C(C)C ZINC000824284419 608312723 /nfs/dbraw/zinc/31/27/23/608312723.db2.gz IGKWEBVGOJDKFH-UHFFFAOYSA-N -1 3 389.410 3.373 20 0 GGADHM CC(C)Cn1ncc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C(C)C ZINC000824284419 608312725 /nfs/dbraw/zinc/31/27/25/608312725.db2.gz IGKWEBVGOJDKFH-UHFFFAOYSA-N -1 3 389.410 3.373 20 0 GGADHM CC(C)c1ccc(C[C@H](C)NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000824448097 608313860 /nfs/dbraw/zinc/31/38/60/608313860.db2.gz FTZGHJZGHTVUAP-HNNXBMFYSA-N -1 3 379.464 3.116 20 0 GGADHM CC(C)c1ccc(C[C@H](C)NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000824448097 608313861 /nfs/dbraw/zinc/31/38/61/608313861.db2.gz FTZGHJZGHTVUAP-HNNXBMFYSA-N -1 3 379.464 3.116 20 0 GGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824447714 608314095 /nfs/dbraw/zinc/31/40/95/608314095.db2.gz BHXWWUQJSLDDKF-OAHLLOKOSA-N -1 3 379.464 3.116 20 0 GGADHM CC(C)c1ccc(C[C@@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824447714 608314097 /nfs/dbraw/zinc/31/40/97/608314097.db2.gz BHXWWUQJSLDDKF-OAHLLOKOSA-N -1 3 379.464 3.116 20 0 GGADHM Cc1c(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cnn1CC(C)C ZINC000826240984 608315252 /nfs/dbraw/zinc/31/52/52/608315252.db2.gz NRYREKPWYLLRIZ-SFHVURJKSA-N -1 3 397.483 3.070 20 0 GGADHM Cc1c(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cnn1CC(C)C ZINC000826240984 608315254 /nfs/dbraw/zinc/31/52/54/608315254.db2.gz NRYREKPWYLLRIZ-SFHVURJKSA-N -1 3 397.483 3.070 20 0 GGADHM COc1ccc([C@H](OC(=O)COc2cccc(-c3nnn[n-]3)c2)C2CC2)c(C)c1 ZINC000826189254 608316984 /nfs/dbraw/zinc/31/69/84/608316984.db2.gz QTFCFAQMICBYTN-HXUWFJFHSA-N -1 3 394.431 3.257 20 0 GGADHM COc1ccc([C@H](OC(=O)COc2cccc(-c3nn[n-]n3)c2)C2CC2)c(C)c1 ZINC000826189254 608316986 /nfs/dbraw/zinc/31/69/86/608316986.db2.gz QTFCFAQMICBYTN-HXUWFJFHSA-N -1 3 394.431 3.257 20 0 GGADHM COc1ccc([C@@H](OC(=O)COc2ccccc2-c2nnn[n-]2)C2CC2)c(C)c1 ZINC000826189441 608316990 /nfs/dbraw/zinc/31/69/90/608316990.db2.gz VTGZSWYRFDGGTB-FQEVSTJZSA-N -1 3 394.431 3.257 20 0 GGADHM COc1ccc([C@@H](OC(=O)COc2ccccc2-c2nn[n-]n2)C2CC2)c(C)c1 ZINC000826189441 608316991 /nfs/dbraw/zinc/31/69/91/608316991.db2.gz VTGZSWYRFDGGTB-FQEVSTJZSA-N -1 3 394.431 3.257 20 0 GGADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824051897 608317470 /nfs/dbraw/zinc/31/74/70/608317470.db2.gz HUNQXPABTBUQMO-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000824051897 608317473 /nfs/dbraw/zinc/31/74/73/608317473.db2.gz HUNQXPABTBUQMO-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM CCOc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)cc1OC)O[C@H](C)C2 ZINC000825621439 608319817 /nfs/dbraw/zinc/31/98/17/608319817.db2.gz TUQFWXLQHQENEZ-GFCCVEGCSA-N -1 3 381.436 3.210 20 0 GGADHM CCOc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)cc1OC)O[C@H](C)C2 ZINC000825621439 608319820 /nfs/dbraw/zinc/31/98/20/608319820.db2.gz TUQFWXLQHQENEZ-GFCCVEGCSA-N -1 3 381.436 3.210 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Cn1c(-c2ccccc2C)csc1=O ZINC000826173554 608324164 /nfs/dbraw/zinc/32/41/64/608324164.db2.gz JCROJWQIGGIHLS-UHFFFAOYSA-N -1 3 379.445 3.122 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Cn1c(-c2ccccc2C)csc1=O ZINC000826173554 608324165 /nfs/dbraw/zinc/32/41/65/608324165.db2.gz JCROJWQIGGIHLS-UHFFFAOYSA-N -1 3 379.445 3.122 20 0 GGADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824857105 608327699 /nfs/dbraw/zinc/32/76/99/608327699.db2.gz AUHZYCFQSUXPCN-RDTXWAMCSA-N -1 3 389.459 3.155 20 0 GGADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824857105 608327700 /nfs/dbraw/zinc/32/77/00/608327700.db2.gz AUHZYCFQSUXPCN-RDTXWAMCSA-N -1 3 389.459 3.155 20 0 GGADHM Cc1ncc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826329816 608327922 /nfs/dbraw/zinc/32/79/22/608327922.db2.gz SSGGSDLBKAPQBV-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1ncc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826329816 608327924 /nfs/dbraw/zinc/32/79/24/608327924.db2.gz SSGGSDLBKAPQBV-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826401443 608333532 /nfs/dbraw/zinc/33/35/32/608333532.db2.gz YYDHQDOCKFONLB-VURMDHGXSA-N -1 3 392.850 3.244 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826401443 608333534 /nfs/dbraw/zinc/33/35/34/608333534.db2.gz YYDHQDOCKFONLB-VURMDHGXSA-N -1 3 392.850 3.244 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nc(C2CC2)cs1 ZINC000824178368 608333892 /nfs/dbraw/zinc/33/38/92/608333892.db2.gz RJVRZQGNXDYIND-UHFFFAOYSA-N -1 3 385.449 3.101 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nc(C2CC2)cs1 ZINC000824178368 608333893 /nfs/dbraw/zinc/33/38/93/608333893.db2.gz RJVRZQGNXDYIND-UHFFFAOYSA-N -1 3 385.449 3.101 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825120419 608336696 /nfs/dbraw/zinc/33/66/96/608336696.db2.gz JTFRHRGPGYVWFZ-JTQLQIEISA-N -1 3 386.428 3.073 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825120419 608336697 /nfs/dbraw/zinc/33/66/97/608336697.db2.gz JTFRHRGPGYVWFZ-JTQLQIEISA-N -1 3 386.428 3.073 20 0 GGADHM Cc1ccsc1CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826316229 608337717 /nfs/dbraw/zinc/33/77/17/608337717.db2.gz IBHRUTXSJUVFKL-UHFFFAOYSA-N -1 3 394.407 3.202 20 0 GGADHM Cc1ccsc1CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826316229 608337718 /nfs/dbraw/zinc/33/77/18/608337718.db2.gz IBHRUTXSJUVFKL-UHFFFAOYSA-N -1 3 394.407 3.202 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825735285 608339282 /nfs/dbraw/zinc/33/92/82/608339282.db2.gz ONUAVROSFUBBJN-CYBMUJFWSA-N -1 3 395.467 3.494 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825735285 608339283 /nfs/dbraw/zinc/33/92/83/608339283.db2.gz ONUAVROSFUBBJN-CYBMUJFWSA-N -1 3 395.467 3.494 20 0 GGADHM CCN(C(=O)Cc1cc(C)ccc1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377025 608342026 /nfs/dbraw/zinc/34/20/26/608342026.db2.gz RHAWATMINBVPMK-UHFFFAOYSA-N -1 3 385.855 3.433 20 0 GGADHM CCN(C(=O)Cc1cc(C)ccc1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377025 608342028 /nfs/dbraw/zinc/34/20/28/608342028.db2.gz RHAWATMINBVPMK-UHFFFAOYSA-N -1 3 385.855 3.433 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000824497957 608343450 /nfs/dbraw/zinc/34/34/50/608343450.db2.gz AUWYDKUZYDYNCT-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000824497957 608343452 /nfs/dbraw/zinc/34/34/52/608343452.db2.gz AUWYDKUZYDYNCT-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000826171444 608343852 /nfs/dbraw/zinc/34/38/52/608343852.db2.gz NYPAIASNLJQVKN-UHFFFAOYSA-N -1 3 384.823 3.304 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000826171444 608343854 /nfs/dbraw/zinc/34/38/54/608343854.db2.gz NYPAIASNLJQVKN-UHFFFAOYSA-N -1 3 384.823 3.304 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1sc2nccc(C)c2c1C ZINC000826173249 608348750 /nfs/dbraw/zinc/34/87/50/608348750.db2.gz VBUMRHXLBCKEKG-UHFFFAOYSA-N -1 3 395.444 3.459 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1sc2nccc(C)c2c1C ZINC000826173249 608348751 /nfs/dbraw/zinc/34/87/51/608348751.db2.gz VBUMRHXLBCKEKG-UHFFFAOYSA-N -1 3 395.444 3.459 20 0 GGADHM CCc1cccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3OC)c[nH]c21 ZINC000825722435 608350536 /nfs/dbraw/zinc/35/05/36/608350536.db2.gz GDRJYZJSTNIGLL-UHFFFAOYSA-N -1 3 391.431 3.205 20 0 GGADHM CCc1cccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3OC)c[nH]c21 ZINC000825722435 608350539 /nfs/dbraw/zinc/35/05/39/608350539.db2.gz GDRJYZJSTNIGLL-UHFFFAOYSA-N -1 3 391.431 3.205 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1cc(Br)cs1 ZINC000826167835 608354148 /nfs/dbraw/zinc/35/41/48/608354148.db2.gz SNNHKPWNAGFBRQ-UHFFFAOYSA-N -1 3 394.298 3.331 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1cc(Br)cs1 ZINC000826167835 608354150 /nfs/dbraw/zinc/35/41/50/608354150.db2.gz SNNHKPWNAGFBRQ-UHFFFAOYSA-N -1 3 394.298 3.331 20 0 GGADHM CC(C)C1CN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824225566 608356283 /nfs/dbraw/zinc/35/62/83/608356283.db2.gz USBUIHMMNDPVQU-UHFFFAOYSA-N -1 3 376.464 3.331 20 0 GGADHM CC(C)C1CN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824225566 608356285 /nfs/dbraw/zinc/35/62/85/608356285.db2.gz USBUIHMMNDPVQU-UHFFFAOYSA-N -1 3 376.464 3.331 20 0 GGADHM C[C@H]1C[C@H](C)N(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824874320 608356288 /nfs/dbraw/zinc/35/62/88/608356288.db2.gz BZJJCJVPPMBQKY-GJZGRUSLSA-N -1 3 376.464 3.474 20 0 GGADHM C[C@H]1C[C@H](C)N(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824874320 608356290 /nfs/dbraw/zinc/35/62/90/608356290.db2.gz BZJJCJVPPMBQKY-GJZGRUSLSA-N -1 3 376.464 3.474 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccc(SC)c(OC)c1 ZINC000826167368 608356395 /nfs/dbraw/zinc/35/63/95/608356395.db2.gz ADIHIVJMZZZPFI-UHFFFAOYSA-N -1 3 385.493 3.238 20 0 GGADHM CN(Cc1cccnc1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825986259 608356497 /nfs/dbraw/zinc/35/64/97/608356497.db2.gz WGFKQNDYRNYCLM-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM CN(Cc1cccnc1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825986259 608356498 /nfs/dbraw/zinc/35/64/98/608356498.db2.gz WGFKQNDYRNYCLM-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM CN(Cc1ccncc1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825986213 608356860 /nfs/dbraw/zinc/35/68/60/608356860.db2.gz TWJZKPCBHYNVOY-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM CN(Cc1ccncc1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825986213 608356862 /nfs/dbraw/zinc/35/68/62/608356862.db2.gz TWJZKPCBHYNVOY-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM CCOCCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825595008 608356866 /nfs/dbraw/zinc/35/68/66/608356866.db2.gz UOHJVBBMLDUYBH-UHFFFAOYSA-N -1 3 394.479 3.102 20 0 GGADHM CCOCCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825595008 608356868 /nfs/dbraw/zinc/35/68/68/608356868.db2.gz UOHJVBBMLDUYBH-UHFFFAOYSA-N -1 3 394.479 3.102 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000824947537 608358538 /nfs/dbraw/zinc/35/85/38/608358538.db2.gz OKKRIFNLSUZWHS-CABCVRRESA-N -1 3 376.464 3.474 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000824947537 608358540 /nfs/dbraw/zinc/35/85/40/608358540.db2.gz OKKRIFNLSUZWHS-CABCVRRESA-N -1 3 376.464 3.474 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000826171121 608360111 /nfs/dbraw/zinc/36/01/11/608360111.db2.gz CTXNQACXBWORNZ-QWHCGFSZSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000826171121 608360113 /nfs/dbraw/zinc/36/01/13/608360113.db2.gz CTXNQACXBWORNZ-QWHCGFSZSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000826171984 608360242 /nfs/dbraw/zinc/36/02/42/608360242.db2.gz HWQZREQOGNNQOM-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000826171984 608360244 /nfs/dbraw/zinc/36/02/44/608360244.db2.gz HWQZREQOGNNQOM-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cncc(-c2ccccc2)c1 ZINC000826172859 608363951 /nfs/dbraw/zinc/36/39/51/608363951.db2.gz AXMJWALYGIQKMX-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cncc(-c2ccccc2)c1 ZINC000826172859 608363952 /nfs/dbraw/zinc/36/39/52/608363952.db2.gz AXMJWALYGIQKMX-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM CN(CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1)C(=O)OC(C)(C)C ZINC000825918942 608365004 /nfs/dbraw/zinc/36/50/04/608365004.db2.gz PVEWOEHSLJAYIG-UHFFFAOYSA-N -1 3 383.456 3.084 20 0 GGADHM CN(CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1)C(=O)OC(C)(C)C ZINC000825918942 608365007 /nfs/dbraw/zinc/36/50/07/608365007.db2.gz PVEWOEHSLJAYIG-UHFFFAOYSA-N -1 3 383.456 3.084 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000826168790 608367392 /nfs/dbraw/zinc/36/73/92/608367392.db2.gz YOXPSTTVTQYBEE-QRWLVFNGSA-N -1 3 379.464 3.146 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000826169971 608371151 /nfs/dbraw/zinc/37/11/51/608371151.db2.gz KTNNDGJQVXBDSI-OAQYLSRUSA-N -1 3 386.459 3.282 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000826169971 608371153 /nfs/dbraw/zinc/37/11/53/608371153.db2.gz KTNNDGJQVXBDSI-OAQYLSRUSA-N -1 3 386.459 3.282 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)c1C1CC1 ZINC000825081988 608371570 /nfs/dbraw/zinc/37/15/70/608371570.db2.gz OURHSWCJFLKVDA-LBPRGKRZSA-N -1 3 396.451 3.277 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)c1C1CC1 ZINC000825081988 608371571 /nfs/dbraw/zinc/37/15/71/608371571.db2.gz OURHSWCJFLKVDA-LBPRGKRZSA-N -1 3 396.451 3.277 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824108466 608374659 /nfs/dbraw/zinc/37/46/59/608374659.db2.gz GJKRVYVHTFGUQP-GFCCVEGCSA-N -1 3 392.891 3.261 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824108466 608374661 /nfs/dbraw/zinc/37/46/61/608374661.db2.gz GJKRVYVHTFGUQP-GFCCVEGCSA-N -1 3 392.891 3.261 20 0 GGADHM C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633364 608380006 /nfs/dbraw/zinc/38/00/06/608380006.db2.gz LTSMDXCGAABQAZ-AWEZNQCLSA-N -1 3 393.472 3.201 20 0 GGADHM C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633364 608380007 /nfs/dbraw/zinc/38/00/07/608380007.db2.gz LTSMDXCGAABQAZ-AWEZNQCLSA-N -1 3 393.472 3.201 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823967881 608381822 /nfs/dbraw/zinc/38/18/22/608381822.db2.gz RQKDONGRUDXZNS-NSHDSACASA-N -1 3 399.838 3.410 20 0 GGADHM O=Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(Br)c1 ZINC000826484248 608395356 /nfs/dbraw/zinc/39/53/56/608395356.db2.gz UTPVYDMGOFUJGP-UHFFFAOYSA-N -1 3 377.173 3.160 20 0 GGADHM O=Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(Br)c1 ZINC000826484248 608395358 /nfs/dbraw/zinc/39/53/58/608395358.db2.gz UTPVYDMGOFUJGP-UHFFFAOYSA-N -1 3 377.173 3.160 20 0 GGADHM Fc1c(CSc2nnc(-c3ccncc3)n2C2CC2)cccc1-c1nnn[n-]1 ZINC000826371560 608397053 /nfs/dbraw/zinc/39/70/53/608397053.db2.gz LAWAZFNBEPOQFM-UHFFFAOYSA-N -1 3 394.439 3.287 20 0 GGADHM Fc1c(CSc2nnc(-c3ccncc3)n2C2CC2)cccc1-c1nn[n-]n1 ZINC000826371560 608397055 /nfs/dbraw/zinc/39/70/55/608397055.db2.gz LAWAZFNBEPOQFM-UHFFFAOYSA-N -1 3 394.439 3.287 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826483080 608397155 /nfs/dbraw/zinc/39/71/55/608397155.db2.gz ABTNYMLWTSHHFG-GHXNOFRVSA-N -1 3 387.421 3.304 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826483080 608397157 /nfs/dbraw/zinc/39/71/57/608397157.db2.gz ABTNYMLWTSHHFG-GHXNOFRVSA-N -1 3 387.421 3.304 20 0 GGADHM Cc1cccc(CCNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297640 608403290 /nfs/dbraw/zinc/40/32/90/608403290.db2.gz NQAYZALGXQFPGA-UHFFFAOYSA-N -1 3 388.475 3.217 20 0 GGADHM Cc1cccc(CCNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297640 608403292 /nfs/dbraw/zinc/40/32/92/608403292.db2.gz NQAYZALGXQFPGA-UHFFFAOYSA-N -1 3 388.475 3.217 20 0 GGADHM Fc1c(CSCc2nc(Cc3ccccc3)no2)cccc1-c1nnn[n-]1 ZINC000826371261 608404719 /nfs/dbraw/zinc/40/47/19/608404719.db2.gz YTLAGRIZPBRCJE-UHFFFAOYSA-N -1 3 382.424 3.413 20 0 GGADHM Fc1c(CSCc2nc(Cc3ccccc3)no2)cccc1-c1nn[n-]n1 ZINC000826371261 608404720 /nfs/dbraw/zinc/40/47/20/608404720.db2.gz YTLAGRIZPBRCJE-UHFFFAOYSA-N -1 3 382.424 3.413 20 0 GGADHM O=C(CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1 ZINC000826405023 608414504 /nfs/dbraw/zinc/41/45/04/608414504.db2.gz SMWOVCXDFCGJSB-UHFFFAOYSA-N -1 3 393.422 3.160 20 0 GGADHM O=C(CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1 ZINC000826405023 608414505 /nfs/dbraw/zinc/41/45/05/608414505.db2.gz SMWOVCXDFCGJSB-UHFFFAOYSA-N -1 3 393.422 3.160 20 0 GGADHM CC[C@@H](CSC)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825126966 608423193 /nfs/dbraw/zinc/42/31/93/608423193.db2.gz KLXLWTFTSSKQSP-INIZCTEOSA-N -1 3 376.530 3.176 20 0 GGADHM CC[C@@H](CSC)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825126966 608423194 /nfs/dbraw/zinc/42/31/94/608423194.db2.gz KLXLWTFTSSKQSP-INIZCTEOSA-N -1 3 376.530 3.176 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC000540473797 608425745 /nfs/dbraw/zinc/42/57/45/608425745.db2.gz STGAWJNIUCBQBY-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC000540473797 608425747 /nfs/dbraw/zinc/42/57/47/608425747.db2.gz STGAWJNIUCBQBY-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(C)cc1 ZINC000825148218 608426136 /nfs/dbraw/zinc/42/61/36/608426136.db2.gz OQXQANGSGLCVBR-QGZVFWFLSA-N -1 3 375.436 3.466 20 0 GGADHM CC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(C)cc1 ZINC000825146554 608426212 /nfs/dbraw/zinc/42/62/12/608426212.db2.gz CVUTYHPWMSVREY-KRWDZBQOSA-N -1 3 375.436 3.466 20 0 GGADHM CC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(C)cc1 ZINC000825146554 608426213 /nfs/dbraw/zinc/42/62/13/608426213.db2.gz CVUTYHPWMSVREY-KRWDZBQOSA-N -1 3 375.436 3.466 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000826442931 608426866 /nfs/dbraw/zinc/42/68/66/608426866.db2.gz QYQRMEWRWBZPKW-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000826442931 608426867 /nfs/dbraw/zinc/42/68/67/608426867.db2.gz QYQRMEWRWBZPKW-UHFFFAOYSA-N -1 3 381.745 3.469 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)c(Br)c(F)c1 ZINC000826423145 608428475 /nfs/dbraw/zinc/42/84/75/608428475.db2.gz AHAFVWAYVXBWCW-UHFFFAOYSA-N -1 3 394.179 3.089 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)c(Br)c(F)c1 ZINC000826423145 608428477 /nfs/dbraw/zinc/42/84/77/608428477.db2.gz AHAFVWAYVXBWCW-UHFFFAOYSA-N -1 3 394.179 3.089 20 0 GGADHM CCOc1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000825632442 608430823 /nfs/dbraw/zinc/43/08/23/608430823.db2.gz RYUOKXUXKAOEMP-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM CCOc1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000825632442 608430825 /nfs/dbraw/zinc/43/08/25/608430825.db2.gz RYUOKXUXKAOEMP-ZDUSSCGKSA-N -1 3 391.435 3.166 20 0 GGADHM C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824564891 608433341 /nfs/dbraw/zinc/43/33/41/608433341.db2.gz XUEVAHDYOQCSPJ-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824564891 608433343 /nfs/dbraw/zinc/43/33/43/608433343.db2.gz XUEVAHDYOQCSPJ-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000825139755 608434025 /nfs/dbraw/zinc/43/40/25/608434025.db2.gz HSXINHRGRFLSHN-IRXDYDNUSA-N -1 3 385.855 3.475 20 0 GGADHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000825139755 608434027 /nfs/dbraw/zinc/43/40/27/608434027.db2.gz HSXINHRGRFLSHN-IRXDYDNUSA-N -1 3 385.855 3.475 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C)c1ccccc1OC(F)F ZINC000826170028 608434946 /nfs/dbraw/zinc/43/49/46/608434946.db2.gz MQAOZPBLZHSOGR-NSHDSACASA-N -1 3 375.379 3.328 20 0 GGADHM O=C(CSCc1ccc(F)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826420320 608435442 /nfs/dbraw/zinc/43/54/42/608435442.db2.gz HZCJYUQMIKPGJJ-UHFFFAOYSA-N -1 3 376.388 3.122 20 0 GGADHM O=C(CSCc1ccc(F)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826420320 608435444 /nfs/dbraw/zinc/43/54/44/608435444.db2.gz HZCJYUQMIKPGJJ-UHFFFAOYSA-N -1 3 376.388 3.122 20 0 GGADHM COc1ccc(CCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000826191871 608438623 /nfs/dbraw/zinc/43/86/23/608438623.db2.gz SDAOXSOOSBYWDO-UHFFFAOYSA-N -1 3 390.802 3.344 20 0 GGADHM COc1ccc(CCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1Cl ZINC000826191871 608438625 /nfs/dbraw/zinc/43/86/25/608438625.db2.gz SDAOXSOOSBYWDO-UHFFFAOYSA-N -1 3 390.802 3.344 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)ccc1F ZINC000824562892 608439284 /nfs/dbraw/zinc/43/92/84/608439284.db2.gz KTBWLTSAROJCHU-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)ccc1F ZINC000824562892 608439287 /nfs/dbraw/zinc/43/92/87/608439287.db2.gz KTBWLTSAROJCHU-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM Brc1cncc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000823832648 608441131 /nfs/dbraw/zinc/44/11/31/608441131.db2.gz RSYORXFYDUACBE-UHFFFAOYSA-N -1 3 383.253 3.318 20 0 GGADHM Brc1cncc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000823832648 608441133 /nfs/dbraw/zinc/44/11/33/608441133.db2.gz RSYORXFYDUACBE-UHFFFAOYSA-N -1 3 383.253 3.318 20 0 GGADHM CCCCCn1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(C)n1 ZINC000825281422 608443268 /nfs/dbraw/zinc/44/32/68/608443268.db2.gz FCYSSANPCUAJEJ-UHFFFAOYSA-N -1 3 380.500 3.448 20 0 GGADHM CCCCCn1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(C)n1 ZINC000825281422 608443269 /nfs/dbraw/zinc/44/32/69/608443269.db2.gz FCYSSANPCUAJEJ-UHFFFAOYSA-N -1 3 380.500 3.448 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)c1cccc(F)c1 ZINC000824319022 608444367 /nfs/dbraw/zinc/44/43/67/608444367.db2.gz CHYGFTZHBHFSPT-UHFFFAOYSA-N -1 3 397.410 3.395 20 0 GGADHM Cc1nc(C(C)(C)C)sc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826323463 608445336 /nfs/dbraw/zinc/44/53/36/608445336.db2.gz FHTPOJMBLFPDKT-UHFFFAOYSA-N -1 3 375.429 3.425 20 0 GGADHM Cc1nc(C(C)(C)C)sc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826323463 608445337 /nfs/dbraw/zinc/44/53/37/608445337.db2.gz FHTPOJMBLFPDKT-UHFFFAOYSA-N -1 3 375.429 3.425 20 0 GGADHM CCn1cc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c2ccccc21 ZINC000825799909 608446218 /nfs/dbraw/zinc/44/62/18/608446218.db2.gz WLHRWFMONTUMIL-UHFFFAOYSA-N -1 3 379.395 3.266 20 0 GGADHM CCn1cc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c2ccccc21 ZINC000825799909 608446220 /nfs/dbraw/zinc/44/62/20/608446220.db2.gz WLHRWFMONTUMIL-UHFFFAOYSA-N -1 3 379.395 3.266 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423685 608446792 /nfs/dbraw/zinc/44/67/92/608446792.db2.gz AZTVHEFAXSJTBR-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1ccccc1C(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423685 608446793 /nfs/dbraw/zinc/44/67/93/608446793.db2.gz AZTVHEFAXSJTBR-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826219747 608448182 /nfs/dbraw/zinc/44/81/82/608448182.db2.gz PHIIAGVGUJLCIW-ACCUITESSA-N -1 3 382.395 3.247 20 0 GGADHM COc1ccccc1C/C(C)=C/C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826219747 608448184 /nfs/dbraw/zinc/44/81/84/608448184.db2.gz PHIIAGVGUJLCIW-ACCUITESSA-N -1 3 382.395 3.247 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC000826466078 608450448 /nfs/dbraw/zinc/45/04/48/608450448.db2.gz OEDQXHAZFSKHBA-SFHVURJKSA-N -1 3 395.438 3.104 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC000826466078 608450450 /nfs/dbraw/zinc/45/04/50/608450450.db2.gz OEDQXHAZFSKHBA-SFHVURJKSA-N -1 3 395.438 3.104 20 0 GGADHM CCCOc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825339174 608455943 /nfs/dbraw/zinc/45/59/43/608455943.db2.gz QCPNRWMNYCZJGX-FQEVSTJZSA-N -1 3 379.464 3.229 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)OCc3ccccc3-c3nnn[n-]3)cc2c1 ZINC000826213851 608457121 /nfs/dbraw/zinc/45/71/21/608457121.db2.gz OWZMUBGADXFWBM-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1ccc2nc(Cl)c(C(=O)OCc3ccccc3-c3nn[n-]n3)cc2c1 ZINC000826213851 608457123 /nfs/dbraw/zinc/45/71/23/608457123.db2.gz OWZMUBGADXFWBM-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1OC ZINC000825140558 608457942 /nfs/dbraw/zinc/45/79/42/608457942.db2.gz KORYVXXRHPQULY-SWLSCSKDSA-N -1 3 398.467 3.153 20 0 GGADHM C[C@H](c1cn(-c2ccccc2)nn1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824778145 608465267 /nfs/dbraw/zinc/46/52/67/608465267.db2.gz NUWWVUHTEHQMSW-MRXNPFEDSA-N -1 3 398.474 3.298 20 0 GGADHM C[C@H](c1cn(-c2ccccc2)nn1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824778145 608465268 /nfs/dbraw/zinc/46/52/68/608465268.db2.gz NUWWVUHTEHQMSW-MRXNPFEDSA-N -1 3 398.474 3.298 20 0 GGADHM CCOC(=O)[C@H](c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825493419 608466109 /nfs/dbraw/zinc/46/61/09/608466109.db2.gz LJNIKFMBUVHRRY-FQEVSTJZSA-N -1 3 389.459 3.260 20 0 GGADHM CCOC(=O)[C@H](c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825493419 608466111 /nfs/dbraw/zinc/46/61/11/608466111.db2.gz LJNIKFMBUVHRRY-FQEVSTJZSA-N -1 3 389.459 3.260 20 0 GGADHM COc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826220078 608469252 /nfs/dbraw/zinc/46/92/52/608469252.db2.gz BKQQQZDILASNEL-UHFFFAOYSA-N -1 3 376.420 3.197 20 0 GGADHM COc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826220078 608469253 /nfs/dbraw/zinc/46/92/53/608469253.db2.gz BKQQQZDILASNEL-UHFFFAOYSA-N -1 3 376.420 3.197 20 0 GGADHM COc1cccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826216554 608469414 /nfs/dbraw/zinc/46/94/14/608469414.db2.gz DTPUIYSRTWETFL-UHFFFAOYSA-N -1 3 376.420 3.197 20 0 GGADHM COc1cccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826216554 608469415 /nfs/dbraw/zinc/46/94/15/608469415.db2.gz DTPUIYSRTWETFL-UHFFFAOYSA-N -1 3 376.420 3.197 20 0 GGADHM C[C@]1(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCCc2ccccc21 ZINC000824822255 608470105 /nfs/dbraw/zinc/47/01/05/608470105.db2.gz BKNVEFSJWXRAFN-HXUWFJFHSA-N -1 3 383.402 3.169 20 0 GGADHM C[C@]1(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCc2ccccc21 ZINC000824822255 608470106 /nfs/dbraw/zinc/47/01/06/608470106.db2.gz BKNVEFSJWXRAFN-HXUWFJFHSA-N -1 3 383.402 3.169 20 0 GGADHM CC[C@H](CSC)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000825128626 608474989 /nfs/dbraw/zinc/47/49/89/608474989.db2.gz WUXHCVVPEZVAET-MRXNPFEDSA-N -1 3 397.504 3.317 20 0 GGADHM CC[C@H](CSC)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000825128626 608474991 /nfs/dbraw/zinc/47/49/91/608474991.db2.gz WUXHCVVPEZVAET-MRXNPFEDSA-N -1 3 397.504 3.317 20 0 GGADHM Cn1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(-c2ccccc2)n1 ZINC000826362173 608476960 /nfs/dbraw/zinc/47/69/60/608476960.db2.gz HABIUJIRYQDEBH-QXMHVHEDSA-N -1 3 386.415 3.024 20 0 GGADHM Cn1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(-c2ccccc2)n1 ZINC000826362173 608476961 /nfs/dbraw/zinc/47/69/61/608476961.db2.gz HABIUJIRYQDEBH-QXMHVHEDSA-N -1 3 386.415 3.024 20 0 GGADHM CC[C@H](CSC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825128407 608477679 /nfs/dbraw/zinc/47/76/79/608477679.db2.gz TUGXCYRKLOFWAR-CYBMUJFWSA-N -1 3 399.480 3.317 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)c1ccc(F)cc1 ZINC000826425508 608479093 /nfs/dbraw/zinc/47/90/93/608479093.db2.gz HIPYAWGGWTUDQS-UHFFFAOYSA-N -1 3 399.376 3.414 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)c1ccc(F)cc1 ZINC000826425508 608479095 /nfs/dbraw/zinc/47/90/95/608479095.db2.gz HIPYAWGGWTUDQS-UHFFFAOYSA-N -1 3 399.376 3.414 20 0 GGADHM Fc1c(CNc2ccccc2I)cccc1-c1nnn[n-]1 ZINC000826371210 608479518 /nfs/dbraw/zinc/47/95/18/608479518.db2.gz XFNLVGUXHOHYHS-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Fc1c(CNc2ccccc2I)cccc1-c1nn[n-]n1 ZINC000826371210 608479519 /nfs/dbraw/zinc/47/95/19/608479519.db2.gz XFNLVGUXHOHYHS-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Cc1ocnc1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826342243 608479749 /nfs/dbraw/zinc/47/97/49/608479749.db2.gz CFWMQYKQJAFJBI-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM Cc1ocnc1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826342243 608479750 /nfs/dbraw/zinc/47/97/50/608479750.db2.gz CFWMQYKQJAFJBI-UHFFFAOYSA-N -1 3 391.391 3.277 20 0 GGADHM Cc1ccc(OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826292090 608480185 /nfs/dbraw/zinc/48/01/85/608480185.db2.gz HTHZSICENYSDTQ-UHFFFAOYSA-N -1 3 389.459 3.178 20 0 GGADHM Cc1ccc(OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1 ZINC000826292090 608480186 /nfs/dbraw/zinc/48/01/86/608480186.db2.gz HTHZSICENYSDTQ-UHFFFAOYSA-N -1 3 389.459 3.178 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1(c2cccc(F)c2)CC1 ZINC000826425680 608481010 /nfs/dbraw/zinc/48/10/10/608481010.db2.gz OJCGBQKYPMMOSE-UHFFFAOYSA-N -1 3 389.434 3.353 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1(c2cccc(F)c2)CC1 ZINC000826425680 608481012 /nfs/dbraw/zinc/48/10/12/608481012.db2.gz OJCGBQKYPMMOSE-UHFFFAOYSA-N -1 3 389.434 3.353 20 0 GGADHM CC(C)c1ncc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000824364446 608481202 /nfs/dbraw/zinc/48/12/02/608481202.db2.gz HAWSMNZRCHEXQA-UHFFFAOYSA-N -1 3 380.477 3.376 20 0 GGADHM CC(C)c1ncc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000824364446 608481204 /nfs/dbraw/zinc/48/12/04/608481204.db2.gz HAWSMNZRCHEXQA-UHFFFAOYSA-N -1 3 380.477 3.376 20 0 GGADHM O=C([C@@H]1C[C@H]1Cc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398170 608482102 /nfs/dbraw/zinc/48/21/02/608482102.db2.gz RHLNPRNRNDAWBE-NHCUHLMSSA-N -1 3 385.471 3.361 20 0 GGADHM O=C([C@@H]1C[C@H]1Cc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398170 608482103 /nfs/dbraw/zinc/48/21/03/608482103.db2.gz RHLNPRNRNDAWBE-NHCUHLMSSA-N -1 3 385.471 3.361 20 0 GGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(Cl)n1 ZINC000826282113 608482940 /nfs/dbraw/zinc/48/29/40/608482940.db2.gz YPWXMRMIRXPIFF-UHFFFAOYSA-N -1 3 380.839 3.153 20 0 GGADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)n1 ZINC000826282113 608482942 /nfs/dbraw/zinc/48/29/42/608482942.db2.gz YPWXMRMIRXPIFF-UHFFFAOYSA-N -1 3 380.839 3.153 20 0 GGADHM Cc1cccc(C)c1OCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826296853 608482999 /nfs/dbraw/zinc/48/29/99/608482999.db2.gz LSVDLQFDZGOHPB-UHFFFAOYSA-N -1 3 389.459 3.178 20 0 GGADHM Cc1cccc(C)c1OCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826296853 608483000 /nfs/dbraw/zinc/48/30/00/608483000.db2.gz LSVDLQFDZGOHPB-UHFFFAOYSA-N -1 3 389.459 3.178 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)c1ccccc1 ZINC000826425519 608483761 /nfs/dbraw/zinc/48/37/61/608483761.db2.gz HYVFERWJBCSNGX-UHFFFAOYSA-N -1 3 381.386 3.274 20 0 GGADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)c1ccccc1 ZINC000826425519 608483762 /nfs/dbraw/zinc/48/37/62/608483762.db2.gz HYVFERWJBCSNGX-UHFFFAOYSA-N -1 3 381.386 3.274 20 0 GGADHM O=C(CCOc1ccccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826407931 608485555 /nfs/dbraw/zinc/48/55/55/608485555.db2.gz IOUXDUOWYBUPDN-UHFFFAOYSA-N -1 3 393.422 3.091 20 0 GGADHM O=C(CCOc1ccccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826407931 608485556 /nfs/dbraw/zinc/48/55/56/608485556.db2.gz IOUXDUOWYBUPDN-UHFFFAOYSA-N -1 3 393.422 3.091 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826272868 608486545 /nfs/dbraw/zinc/48/65/45/608486545.db2.gz FIJSDCDJMUXQJF-UHFFFAOYSA-N -1 3 398.470 3.446 20 0 GGADHM Cc1cc2ccccc2n1CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826272868 608486547 /nfs/dbraw/zinc/48/65/47/608486547.db2.gz FIJSDCDJMUXQJF-UHFFFAOYSA-N -1 3 398.470 3.446 20 0 GGADHM O=C(c1cc2ccccc2[nH]c1=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470585 608487082 /nfs/dbraw/zinc/48/70/82/608487082.db2.gz VWNHAPPFPWAAHF-UHFFFAOYSA-N -1 3 398.426 3.050 20 0 GGADHM O=C(c1cc2ccccc2[nH]c1=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470585 608487083 /nfs/dbraw/zinc/48/70/83/608487083.db2.gz VWNHAPPFPWAAHF-UHFFFAOYSA-N -1 3 398.426 3.050 20 0 GGADHM O=C(c1cc(F)c(F)cc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470389 608487194 /nfs/dbraw/zinc/48/71/94/608487194.db2.gz OFDRBLYPCWETKM-UHFFFAOYSA-N -1 3 385.349 3.214 20 0 GGADHM O=C(c1cc(F)c(F)cc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470389 608487195 /nfs/dbraw/zinc/48/71/95/608487195.db2.gz OFDRBLYPCWETKM-UHFFFAOYSA-N -1 3 385.349 3.214 20 0 GGADHM CCCc1csc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n1 ZINC000825348647 608489682 /nfs/dbraw/zinc/48/96/82/608489682.db2.gz UVFQANSJVLVCGY-HNNXBMFYSA-N -1 3 386.481 3.318 20 0 GGADHM CCCc1csc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n1 ZINC000825348647 608489684 /nfs/dbraw/zinc/48/96/84/608489684.db2.gz UVFQANSJVLVCGY-HNNXBMFYSA-N -1 3 386.481 3.318 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)O1 ZINC000824891511 608489711 /nfs/dbraw/zinc/48/97/11/608489711.db2.gz APFSWZUVLBELAT-HBCWATKFSA-N -1 3 392.463 3.296 20 0 GGADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)sc2nccn12 ZINC000826234763 608494285 /nfs/dbraw/zinc/49/42/85/608494285.db2.gz MVZLOOZOTACECF-UHFFFAOYSA-N -1 3 393.354 3.155 20 0 GGADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)sc2nccn12 ZINC000826234763 608494286 /nfs/dbraw/zinc/49/42/86/608494286.db2.gz MVZLOOZOTACECF-UHFFFAOYSA-N -1 3 393.354 3.155 20 0 GGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)ncn1 ZINC000826260727 608494291 /nfs/dbraw/zinc/49/42/91/608494291.db2.gz CHLUAMIZLCXTNW-UHFFFAOYSA-N -1 3 389.444 3.045 20 0 GGADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)ncn1 ZINC000826260727 608494292 /nfs/dbraw/zinc/49/42/92/608494292.db2.gz CHLUAMIZLCXTNW-UHFFFAOYSA-N -1 3 389.444 3.045 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826321362 608494483 /nfs/dbraw/zinc/49/44/83/608494483.db2.gz CBKWTVJFHHWHLA-CQSZACIVSA-N -1 3 386.847 3.229 20 0 GGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826321362 608494485 /nfs/dbraw/zinc/49/44/85/608494485.db2.gz CBKWTVJFHHWHLA-CQSZACIVSA-N -1 3 386.847 3.229 20 0 GGADHM Cn1ccnc1[C@@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000826363992 608498989 /nfs/dbraw/zinc/49/89/89/608498989.db2.gz HOYUNBXWUSRIDS-PMACEKPBSA-N -1 3 385.475 3.357 20 0 GGADHM CC[C@H]1CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000825212921 608512717 /nfs/dbraw/zinc/51/27/17/608512717.db2.gz URRNGAZAMQVYPU-SFHVURJKSA-N -1 3 379.464 3.057 20 0 GGADHM CC[C@H]1CN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCO1 ZINC000825212921 608512719 /nfs/dbraw/zinc/51/27/19/608512719.db2.gz URRNGAZAMQVYPU-SFHVURJKSA-N -1 3 379.464 3.057 20 0 GGADHM Brc1ccccc1OCCSc1ccc(-c2nnn[n-]2)cn1 ZINC000823832739 608527438 /nfs/dbraw/zinc/52/74/38/608527438.db2.gz VCMHZRLHDBUHBU-UHFFFAOYSA-N -1 3 378.255 3.195 20 0 GGADHM Brc1ccccc1OCCSc1ccc(-c2nn[n-]n2)cn1 ZINC000823832739 608527439 /nfs/dbraw/zinc/52/74/39/608527439.db2.gz VCMHZRLHDBUHBU-UHFFFAOYSA-N -1 3 378.255 3.195 20 0 GGADHM FC(F)n1c(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)nc2ccccc21 ZINC000826370203 608528420 /nfs/dbraw/zinc/52/84/20/608528420.db2.gz IDIIQOJMWVRYTR-UHFFFAOYSA-N -1 3 381.390 3.390 20 0 GGADHM COc1ccc(F)cc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826208865 608528514 /nfs/dbraw/zinc/52/85/14/608528514.db2.gz CYMICYUFCMCNPO-UHFFFAOYSA-N -1 3 378.820 3.477 20 0 GGADHM COc1ccc(F)cc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826208865 608528515 /nfs/dbraw/zinc/52/85/15/608528515.db2.gz CYMICYUFCMCNPO-UHFFFAOYSA-N -1 3 378.820 3.477 20 0 GGADHM Cc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)cc1Br ZINC000826259790 608530406 /nfs/dbraw/zinc/53/04/06/608530406.db2.gz GJFLGQZBFTZJDG-UHFFFAOYSA-N -1 3 386.253 3.176 20 0 GGADHM Cc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)cc1Br ZINC000826259790 608530407 /nfs/dbraw/zinc/53/04/07/608530407.db2.gz GJFLGQZBFTZJDG-UHFFFAOYSA-N -1 3 386.253 3.176 20 0 GGADHM Clc1ccc(-c2noc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)n2)cc1 ZINC000826351199 608532647 /nfs/dbraw/zinc/53/26/47/608532647.db2.gz BXILSJMJXNZESU-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1ccc(-c2noc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)n2)cc1 ZINC000826351199 608532648 /nfs/dbraw/zinc/53/26/48/608532648.db2.gz BXILSJMJXNZESU-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM CC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)cc1F ZINC000825149141 608535228 /nfs/dbraw/zinc/53/52/28/608535228.db2.gz VOLMXNHKTDPOHB-INIZCTEOSA-N -1 3 397.389 3.436 20 0 GGADHM CC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)cc1F ZINC000825149141 608535229 /nfs/dbraw/zinc/53/52/29/608535229.db2.gz VOLMXNHKTDPOHB-INIZCTEOSA-N -1 3 397.389 3.436 20 0 GGADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)cc1F ZINC000825149144 608535498 /nfs/dbraw/zinc/53/54/98/608535498.db2.gz VOLMXNHKTDPOHB-MRXNPFEDSA-N -1 3 397.389 3.436 20 0 GGADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)cc1F ZINC000825149144 608535501 /nfs/dbraw/zinc/53/55/01/608535501.db2.gz VOLMXNHKTDPOHB-MRXNPFEDSA-N -1 3 397.389 3.436 20 0 GGADHM Clc1cccc(C2(NCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CC2)c1 ZINC000826353119 608536981 /nfs/dbraw/zinc/53/69/81/608536981.db2.gz BUFBNMORORTRML-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM Clc1cccc(C2(NCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CC2)c1 ZINC000826353119 608536982 /nfs/dbraw/zinc/53/69/82/608536982.db2.gz BUFBNMORORTRML-UHFFFAOYSA-N -1 3 393.838 3.349 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826217002 608538888 /nfs/dbraw/zinc/53/88/88/608538888.db2.gz VPKKGCNRNYOXIE-SNVBAGLBSA-N -1 3 393.369 3.467 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826217002 608538889 /nfs/dbraw/zinc/53/88/89/608538889.db2.gz VPKKGCNRNYOXIE-SNVBAGLBSA-N -1 3 393.369 3.467 20 0 GGADHM CCCOc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000825342209 608542094 /nfs/dbraw/zinc/54/20/94/608542094.db2.gz RHYDHTMFVJDORX-UHFFFAOYSA-N -1 3 377.408 3.318 20 0 GGADHM CCCOc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000825342209 608542096 /nfs/dbraw/zinc/54/20/96/608542096.db2.gz RHYDHTMFVJDORX-UHFFFAOYSA-N -1 3 377.408 3.318 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000824285112 608543239 /nfs/dbraw/zinc/54/32/39/608543239.db2.gz XWEAWOOIKZCGRH-ZDUSSCGKSA-N -1 3 379.468 3.088 20 0 GGADHM CC(C)Cn1ncc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000824285112 608543240 /nfs/dbraw/zinc/54/32/40/608543240.db2.gz XWEAWOOIKZCGRH-ZDUSSCGKSA-N -1 3 379.468 3.088 20 0 GGADHM C[C@H](NC(=O)c1csc(-c2ncccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824522306 608543283 /nfs/dbraw/zinc/54/32/83/608543283.db2.gz QOBLDMSYKDWKEO-JTQLQIEISA-N -1 3 395.423 3.015 20 0 GGADHM C[C@H](NC(=O)c1csc(-c2ncccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824522306 608543284 /nfs/dbraw/zinc/54/32/84/608543284.db2.gz QOBLDMSYKDWKEO-JTQLQIEISA-N -1 3 395.423 3.015 20 0 GGADHM CCC[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000825242537 608553402 /nfs/dbraw/zinc/55/34/02/608553402.db2.gz UIOYKWXBXNXGCX-AWEZNQCLSA-N -1 3 392.435 3.276 20 0 GGADHM CCC[C@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000825242537 608553403 /nfs/dbraw/zinc/55/34/03/608553403.db2.gz UIOYKWXBXNXGCX-AWEZNQCLSA-N -1 3 392.435 3.276 20 0 GGADHM CN1C(=O)C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826010444 608553874 /nfs/dbraw/zinc/55/38/74/608553874.db2.gz JDMPETRGGHDXIT-NVXWUHKLSA-N -1 3 386.818 3.043 20 0 GGADHM CN1C(=O)C[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010444 608553875 /nfs/dbraw/zinc/55/38/75/608553875.db2.gz JDMPETRGGHDXIT-NVXWUHKLSA-N -1 3 386.818 3.043 20 0 GGADHM CN1C(=O)C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011030 608553877 /nfs/dbraw/zinc/55/38/77/608553877.db2.gz UPLDTHYKCZQSRP-PBHICJAKSA-N -1 3 386.818 3.043 20 0 GGADHM CN1C(=O)C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011030 608553878 /nfs/dbraw/zinc/55/38/78/608553878.db2.gz UPLDTHYKCZQSRP-PBHICJAKSA-N -1 3 386.818 3.043 20 0 GGADHM c1cc2nccc(NC3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)c2s1 ZINC000826517091 608557154 /nfs/dbraw/zinc/55/71/54/608557154.db2.gz PRRORZZEITVROQ-UHFFFAOYSA-N -1 3 393.476 3.095 20 0 GGADHM c1cc2nccc(NC3CCC(Oc4ccc(-c5nn[n-]n5)cn4)CC3)c2s1 ZINC000826517091 608557155 /nfs/dbraw/zinc/55/71/55/608557155.db2.gz PRRORZZEITVROQ-UHFFFAOYSA-N -1 3 393.476 3.095 20 0 GGADHM CC(C)(C)CCCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824085551 608557513 /nfs/dbraw/zinc/55/75/13/608557513.db2.gz GNYXLKVBMBBNJF-UHFFFAOYSA-N -1 3 386.500 3.284 20 0 GGADHM CC(C)(C)CCCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824085551 608557516 /nfs/dbraw/zinc/55/75/16/608557516.db2.gz GNYXLKVBMBBNJF-UHFFFAOYSA-N -1 3 386.500 3.284 20 0 GGADHM O=C(/C=C\C1CCCCC1)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826400473 608558335 /nfs/dbraw/zinc/55/83/35/608558335.db2.gz ZVJWOQJRKUXWGG-SDQBBNPISA-N -1 3 396.495 3.204 20 0 GGADHM O=C(/C=C\C1CCCCC1)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826400473 608558337 /nfs/dbraw/zinc/55/83/37/608558337.db2.gz ZVJWOQJRKUXWGG-SDQBBNPISA-N -1 3 396.495 3.204 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824564137 608559058 /nfs/dbraw/zinc/55/90/58/608559058.db2.gz SDRKXROEVLXYMM-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000824564137 608559059 /nfs/dbraw/zinc/55/90/59/608559059.db2.gz SDRKXROEVLXYMM-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000826459989 608571073 /nfs/dbraw/zinc/57/10/73/608571073.db2.gz ITINCMLMYDPVMH-UHFFFAOYSA-N -1 3 388.353 3.412 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000826459989 608571074 /nfs/dbraw/zinc/57/10/74/608571074.db2.gz ITINCMLMYDPVMH-UHFFFAOYSA-N -1 3 388.353 3.412 20 0 GGADHM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000824185061 608574513 /nfs/dbraw/zinc/57/45/13/608574513.db2.gz QGDWMNIAPDUCDF-UHFFFAOYSA-N -1 3 398.854 3.045 20 0 GGADHM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000824185061 608574514 /nfs/dbraw/zinc/57/45/14/608574514.db2.gz QGDWMNIAPDUCDF-UHFFFAOYSA-N -1 3 398.854 3.045 20 0 GGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826283875 608581467 /nfs/dbraw/zinc/58/14/67/608581467.db2.gz DCCWSXBVUDNFGW-UHFFFAOYSA-N -1 3 394.431 3.069 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826412759 608601216 /nfs/dbraw/zinc/60/12/16/608601216.db2.gz CEBSKHYQKFKFDW-UHFFFAOYSA-N -1 3 394.866 3.248 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000825538720 608608116 /nfs/dbraw/zinc/60/81/16/608608116.db2.gz JBNWIZCHMDHZLS-GFCCVEGCSA-N -1 3 387.444 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000825538720 608608118 /nfs/dbraw/zinc/60/81/18/608608118.db2.gz JBNWIZCHMDHZLS-GFCCVEGCSA-N -1 3 387.444 3.135 20 0 GGADHM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000826367161 608620345 /nfs/dbraw/zinc/62/03/45/608620345.db2.gz OHTNCRFQKLWHPG-IUCAKERBSA-N -1 3 385.337 3.491 20 0 GGADHM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000826367161 608620346 /nfs/dbraw/zinc/62/03/46/608620346.db2.gz OHTNCRFQKLWHPG-IUCAKERBSA-N -1 3 385.337 3.491 20 0 GGADHM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000826367160 608620424 /nfs/dbraw/zinc/62/04/24/608620424.db2.gz OHTNCRFQKLWHPG-DTORHVGOSA-N -1 3 385.337 3.491 20 0 GGADHM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000826367160 608620425 /nfs/dbraw/zinc/62/04/25/608620425.db2.gz OHTNCRFQKLWHPG-DTORHVGOSA-N -1 3 385.337 3.491 20 0 GGADHM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826367410 608621851 /nfs/dbraw/zinc/62/18/51/608621851.db2.gz YFLWVLQFOPRURJ-OCAPTIKFSA-N -1 3 385.337 3.491 20 0 GGADHM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826367410 608621852 /nfs/dbraw/zinc/62/18/52/608621852.db2.gz YFLWVLQFOPRURJ-OCAPTIKFSA-N -1 3 385.337 3.491 20 0 GGADHM CC(C)CC1(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC000824235371 608639287 /nfs/dbraw/zinc/63/92/87/608639287.db2.gz GSIAWKLOPAECEA-UHFFFAOYSA-N -1 3 398.511 3.284 20 0 GGADHM CC(C)CC1(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC000824235371 608639288 /nfs/dbraw/zinc/63/92/88/608639288.db2.gz GSIAWKLOPAECEA-UHFFFAOYSA-N -1 3 398.511 3.284 20 0 GGADHM CCCN(CC(=O)Nc1ccccc1C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825307637 608644172 /nfs/dbraw/zinc/64/41/72/608644172.db2.gz IUGPLBDWPJFPFJ-UHFFFAOYSA-N -1 3 382.443 3.165 20 0 GGADHM CCCN(CC(=O)Nc1ccccc1C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825307637 608644173 /nfs/dbraw/zinc/64/41/73/608644173.db2.gz IUGPLBDWPJFPFJ-UHFFFAOYSA-N -1 3 382.443 3.165 20 0 GGADHM CN(Cc1csc(Br)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825991513 608648514 /nfs/dbraw/zinc/64/85/14/608648514.db2.gz CYYLZQHYPGDVCZ-UHFFFAOYSA-N -1 3 382.262 3.462 20 0 GGADHM CN(Cc1csc(Br)c1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825991513 608648517 /nfs/dbraw/zinc/64/85/17/608648517.db2.gz CYYLZQHYPGDVCZ-UHFFFAOYSA-N -1 3 382.262 3.462 20 0 GGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000826472875 608652644 /nfs/dbraw/zinc/65/26/44/608652644.db2.gz AGVOKNDHUCKTAJ-OAHLLOKOSA-N -1 3 383.402 3.240 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)s1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000825961640 608664206 /nfs/dbraw/zinc/66/42/06/608664206.db2.gz KIWFLQANEPZHMC-KRWDZBQOSA-N -1 3 383.456 3.022 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)s1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000825961640 608664207 /nfs/dbraw/zinc/66/42/07/608664207.db2.gz KIWFLQANEPZHMC-KRWDZBQOSA-N -1 3 383.456 3.022 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cn(C)nc1C(C)(C)C ZINC000824255598 608666488 /nfs/dbraw/zinc/66/64/88/608666488.db2.gz PHSLGYYVDMASEB-UHFFFAOYSA-N -1 3 395.511 3.196 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cn(C)nc1C(C)(C)C ZINC000824255598 608666490 /nfs/dbraw/zinc/66/64/90/608666490.db2.gz PHSLGYYVDMASEB-UHFFFAOYSA-N -1 3 395.511 3.196 20 0 GGADHM Fc1ccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1Cl ZINC000826373947 608674846 /nfs/dbraw/zinc/67/48/46/608674846.db2.gz GLSWAMSUEVGFPS-HNNXBMFYSA-N -1 3 379.848 3.294 20 0 GGADHM Fc1ccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)cc1Cl ZINC000826373947 608674849 /nfs/dbraw/zinc/67/48/49/608674849.db2.gz GLSWAMSUEVGFPS-HNNXBMFYSA-N -1 3 379.848 3.294 20 0 GGADHM Fc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1Cl ZINC000826373880 608675401 /nfs/dbraw/zinc/67/54/01/608675401.db2.gz CNHGVGXIASZSAP-CQSZACIVSA-N -1 3 379.848 3.294 20 0 GGADHM Fc1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)c(Cl)c1 ZINC000826375556 608744707 /nfs/dbraw/zinc/74/47/07/608744707.db2.gz SIGWTIQWVAXLCX-UHFFFAOYSA-N -1 3 378.864 3.043 20 0 GGADHM Fc1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c(Cl)c1 ZINC000826375556 608744710 /nfs/dbraw/zinc/74/47/10/608744710.db2.gz SIGWTIQWVAXLCX-UHFFFAOYSA-N -1 3 378.864 3.043 20 0 GGADHM FC(F)Oc1cccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)c1 ZINC000826370046 608745933 /nfs/dbraw/zinc/74/59/33/608745933.db2.gz AZXFYKORPGMAND-CQSZACIVSA-N -1 3 393.419 3.103 20 0 GGADHM FC(F)Oc1cccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)c1 ZINC000826370046 608745934 /nfs/dbraw/zinc/74/59/34/608745934.db2.gz AZXFYKORPGMAND-CQSZACIVSA-N -1 3 393.419 3.103 20 0 GGADHM C[C@@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520804 608756094 /nfs/dbraw/zinc/75/60/94/608756094.db2.gz FQSDZHQKVHQRKD-CYBMUJFWSA-N -1 3 393.447 3.313 20 0 GGADHM C[C@@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520804 608756096 /nfs/dbraw/zinc/75/60/96/608756096.db2.gz FQSDZHQKVHQRKD-CYBMUJFWSA-N -1 3 393.447 3.313 20 0 GGADHM O=C(OCCOc1ccc(F)cc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826464190 608766862 /nfs/dbraw/zinc/76/68/62/608766862.db2.gz MCLHGYXCKDVERG-UHFFFAOYSA-N -1 3 398.728 3.173 20 0 GGADHM O=C(OCCOc1ccc(F)cc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826464190 608766866 /nfs/dbraw/zinc/76/68/66/608766866.db2.gz MCLHGYXCKDVERG-UHFFFAOYSA-N -1 3 398.728 3.173 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCOc1ccc(F)cc1Cl ZINC000826401999 608767016 /nfs/dbraw/zinc/76/70/16/608767016.db2.gz KVIBBZLLOBUANJ-YVMONPNESA-N -1 3 388.786 3.295 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCOc1ccc(F)cc1Cl ZINC000826401999 608767018 /nfs/dbraw/zinc/76/70/18/608767018.db2.gz KVIBBZLLOBUANJ-YVMONPNESA-N -1 3 388.786 3.295 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H](C)C2)cc1 ZINC000826254793 608767216 /nfs/dbraw/zinc/76/72/16/608767216.db2.gz AOLOOKPZWZYKEJ-YOEHRIQHSA-N -1 3 393.447 3.265 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H](C)C2)cc1 ZINC000826254793 608767217 /nfs/dbraw/zinc/76/72/17/608767217.db2.gz AOLOOKPZWZYKEJ-YOEHRIQHSA-N -1 3 393.447 3.265 20 0 GGADHM O=C(COc1cccc(Oc2cccnc2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826418506 608800014 /nfs/dbraw/zinc/80/00/14/608800014.db2.gz KANKVKQNYASUAP-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(COc1cccc(Oc2cccnc2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826418506 608800016 /nfs/dbraw/zinc/80/00/16/608800016.db2.gz KANKVKQNYASUAP-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000824893103 608808614 /nfs/dbraw/zinc/80/86/14/608808614.db2.gz PHTFKMYQDZZRDI-BBRMVZONSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000824893103 608808617 /nfs/dbraw/zinc/80/86/17/608808617.db2.gz PHTFKMYQDZZRDI-BBRMVZONSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824892294 608811339 /nfs/dbraw/zinc/81/13/39/608811339.db2.gz GJQFUCCRPRXQOR-BBRMVZONSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824892294 608811341 /nfs/dbraw/zinc/81/13/41/608811341.db2.gz GJQFUCCRPRXQOR-BBRMVZONSA-N -1 3 394.435 3.348 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826418571 608823155 /nfs/dbraw/zinc/82/31/55/608823155.db2.gz MNGVCLUUHLHTRR-QGZVFWFLSA-N -1 3 393.428 3.035 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826418571 608823157 /nfs/dbraw/zinc/82/31/57/608823157.db2.gz MNGVCLUUHLHTRR-QGZVFWFLSA-N -1 3 393.428 3.035 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000824745110 608824082 /nfs/dbraw/zinc/82/40/82/608824082.db2.gz MQRZNYDXCQLGPY-IHRRRGAJSA-N -1 3 395.438 3.308 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000824745110 608824083 /nfs/dbraw/zinc/82/40/83/608824083.db2.gz MQRZNYDXCQLGPY-IHRRRGAJSA-N -1 3 395.438 3.308 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824891952 608825609 /nfs/dbraw/zinc/82/56/09/608825609.db2.gz CWKNNVNSASKSAI-ZIAGYGMSSA-N -1 3 395.488 3.315 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824891952 608825612 /nfs/dbraw/zinc/82/56/12/608825612.db2.gz CWKNNVNSASKSAI-ZIAGYGMSSA-N -1 3 395.488 3.315 20 0 GGADHM FC(F)(F)COc1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826367663 608861571 /nfs/dbraw/zinc/86/15/71/608861571.db2.gz JDZIBLFXMKNSNJ-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM FC(F)(F)COc1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826367663 608861572 /nfs/dbraw/zinc/86/15/72/608861572.db2.gz JDZIBLFXMKNSNJ-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1OCc1cccnc1 ZINC000826203926 608868228 /nfs/dbraw/zinc/86/82/28/608868228.db2.gz MYTXVUGRIYUYKL-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM C[C@@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824713126 608872721 /nfs/dbraw/zinc/87/27/21/608872721.db2.gz GVTAOWYXNVYAIZ-SJKOYZFVSA-N -1 3 385.855 3.427 20 0 GGADHM C[C@@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824713126 608872723 /nfs/dbraw/zinc/87/27/23/608872723.db2.gz GVTAOWYXNVYAIZ-SJKOYZFVSA-N -1 3 385.855 3.427 20 0 GGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824908574 609135475 /nfs/dbraw/zinc/13/54/75/609135475.db2.gz PQKLPOCLYUPOBW-AAEUAGOBSA-N -1 3 397.401 3.214 20 0 GGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824908574 609135476 /nfs/dbraw/zinc/13/54/76/609135476.db2.gz PQKLPOCLYUPOBW-AAEUAGOBSA-N -1 3 397.401 3.214 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826183942 609135670 /nfs/dbraw/zinc/13/56/70/609135670.db2.gz FWLPODGJUOYVLE-QGZVFWFLSA-N -1 3 394.431 3.126 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826183942 609135671 /nfs/dbraw/zinc/13/56/71/609135671.db2.gz FWLPODGJUOYVLE-QGZVFWFLSA-N -1 3 394.431 3.126 20 0 GGADHM CC(C)C[C@H]1C[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824237572 609136173 /nfs/dbraw/zinc/13/61/73/609136173.db2.gz UCBCYJZHORVSRB-STQMWFEESA-N -1 3 394.932 3.400 20 0 GGADHM CC(C)C[C@H]1C[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824237572 609136174 /nfs/dbraw/zinc/13/61/74/609136174.db2.gz UCBCYJZHORVSRB-STQMWFEESA-N -1 3 394.932 3.400 20 0 GGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824906145 609137682 /nfs/dbraw/zinc/13/76/82/609137682.db2.gz AJONJPAFIRVHIQ-CMPLNLGQSA-N -1 3 385.415 3.148 20 0 GGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824906145 609137685 /nfs/dbraw/zinc/13/76/85/609137685.db2.gz AJONJPAFIRVHIQ-CMPLNLGQSA-N -1 3 385.415 3.148 20 0 GGADHM COc1nc(C)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000826221559 609143743 /nfs/dbraw/zinc/14/37/43/609143743.db2.gz KUACPIPTYSWXAC-VIFPVBQESA-N -1 3 384.465 3.017 20 0 GGADHM COc1nc(C)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826221559 609143744 /nfs/dbraw/zinc/14/37/44/609143744.db2.gz KUACPIPTYSWXAC-VIFPVBQESA-N -1 3 384.465 3.017 20 0 GGADHM COc1ccc([C@@H](NCc2cccc(-c3nnn[n-]3)c2F)C(F)(F)F)cc1 ZINC000826189060 609150112 /nfs/dbraw/zinc/15/01/12/609150112.db2.gz MGGNDTLPSYQHOF-OAHLLOKOSA-N -1 3 381.333 3.408 20 0 GGADHM COc1ccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2F)C(F)(F)F)cc1 ZINC000826189060 609150114 /nfs/dbraw/zinc/15/01/14/609150114.db2.gz MGGNDTLPSYQHOF-OAHLLOKOSA-N -1 3 381.333 3.408 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H]2CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257683 609151885 /nfs/dbraw/zinc/15/18/85/609151885.db2.gz LMYGQCWDUNYFOU-MRXNPFEDSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H]2CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257683 609151887 /nfs/dbraw/zinc/15/18/87/609151887.db2.gz LMYGQCWDUNYFOU-MRXNPFEDSA-N -1 3 379.468 3.012 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000826452118 609152568 /nfs/dbraw/zinc/15/25/68/609152568.db2.gz IEXLKLXTWIZZII-CYBMUJFWSA-N -1 3 398.854 3.453 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000826452118 609152569 /nfs/dbraw/zinc/15/25/69/609152569.db2.gz IEXLKLXTWIZZII-CYBMUJFWSA-N -1 3 398.854 3.453 20 0 GGADHM CSc1ncc(Cl)c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826231747 609154845 /nfs/dbraw/zinc/15/48/45/609154845.db2.gz YFXFXMGXCALKMC-UHFFFAOYSA-N -1 3 397.247 3.042 20 0 GGADHM CSc1ncc(Cl)c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826231747 609154847 /nfs/dbraw/zinc/15/48/47/609154847.db2.gz YFXFXMGXCALKMC-UHFFFAOYSA-N -1 3 397.247 3.042 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc2ccccc2c(=O)[nH]1 ZINC000826465153 609155810 /nfs/dbraw/zinc/15/58/10/609155810.db2.gz ARSXLFIWUVJAIZ-UHFFFAOYSA-N -1 3 381.779 3.131 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc2ccccc2c(=O)[nH]1 ZINC000826465153 609155811 /nfs/dbraw/zinc/15/58/11/609155811.db2.gz ARSXLFIWUVJAIZ-UHFFFAOYSA-N -1 3 381.779 3.131 20 0 GGADHM Cc1cc(C(=O)N2CCC(C(C)(C)C)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257721 609156960 /nfs/dbraw/zinc/15/69/60/609156960.db2.gz MWTQYGBNUKIYSR-UHFFFAOYSA-N -1 3 393.495 3.259 20 0 GGADHM Cc1cc(C(=O)N2CCC(C(C)(C)C)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257721 609156961 /nfs/dbraw/zinc/15/69/61/609156961.db2.gz MWTQYGBNUKIYSR-UHFFFAOYSA-N -1 3 393.495 3.259 20 0 GGADHM CCC1(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000825176182 609162792 /nfs/dbraw/zinc/16/27/92/609162792.db2.gz JEHIFKMIHHDAQQ-UHFFFAOYSA-N -1 3 388.468 3.166 20 0 GGADHM CCC1(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000825176182 609162794 /nfs/dbraw/zinc/16/27/94/609162794.db2.gz JEHIFKMIHHDAQQ-UHFFFAOYSA-N -1 3 388.468 3.166 20 0 GGADHM CC(Cl)(Cl)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824465490 609163934 /nfs/dbraw/zinc/16/39/34/609163934.db2.gz QPRDITICFQSDFT-UHFFFAOYSA-N -1 3 379.207 3.186 20 0 GGADHM CC(Cl)(Cl)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824465490 609163935 /nfs/dbraw/zinc/16/39/35/609163935.db2.gz QPRDITICFQSDFT-UHFFFAOYSA-N -1 3 379.207 3.186 20 0 GGADHM FC(F)(F)c1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)nc1 ZINC000826368834 609166883 /nfs/dbraw/zinc/16/68/83/609166883.db2.gz CNYBHSJTLTYAIJ-UHFFFAOYSA-N -1 3 386.341 3.283 20 0 GGADHM FC(F)(F)c1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)nc1 ZINC000826368834 609166885 /nfs/dbraw/zinc/16/68/85/609166885.db2.gz CNYBHSJTLTYAIJ-UHFFFAOYSA-N -1 3 386.341 3.283 20 0 GGADHM FC(F)(F)c1ccnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000826369059 609167125 /nfs/dbraw/zinc/16/71/25/609167125.db2.gz LACNOSHAPJXPSR-UHFFFAOYSA-N -1 3 386.341 3.283 20 0 GGADHM FC(F)(F)c1ccnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000826369059 609167126 /nfs/dbraw/zinc/16/71/26/609167126.db2.gz LACNOSHAPJXPSR-UHFFFAOYSA-N -1 3 386.341 3.283 20 0 GGADHM CCc1ocnc1C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825777148 609167814 /nfs/dbraw/zinc/16/78/14/609167814.db2.gz OMHQHGXFWRCUBZ-UHFFFAOYSA-N -1 3 377.408 3.077 20 0 GGADHM CCc1ocnc1C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825777148 609167816 /nfs/dbraw/zinc/16/78/16/609167816.db2.gz OMHQHGXFWRCUBZ-UHFFFAOYSA-N -1 3 377.408 3.077 20 0 GGADHM CCc1nnc(N[C@H]2CCCc3cn(C(C)C)nc32)c(-c2nnn[n-]2)c1CC ZINC000825766732 609172319 /nfs/dbraw/zinc/17/23/19/609172319.db2.gz CIMQOLYXKOXGRH-HNNXBMFYSA-N -1 3 381.488 3.048 20 0 GGADHM CCc1nnc(N[C@H]2CCCc3cn(C(C)C)nc32)c(-c2nn[n-]n2)c1CC ZINC000825766732 609172321 /nfs/dbraw/zinc/17/23/21/609172321.db2.gz CIMQOLYXKOXGRH-HNNXBMFYSA-N -1 3 381.488 3.048 20 0 GGADHM O=C1[C@@H](Nc2ccc(F)c(-c3nnn[n-]3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477742 609176935 /nfs/dbraw/zinc/17/69/35/609176935.db2.gz KGVNBFGCNSAQKA-HNNXBMFYSA-N -1 3 390.781 3.016 20 0 GGADHM O=C1[C@@H](Nc2ccc(F)c(-c3nn[n-]n3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477742 609176937 /nfs/dbraw/zinc/17/69/37/609176937.db2.gz KGVNBFGCNSAQKA-HNNXBMFYSA-N -1 3 390.781 3.016 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(Cc1ccccc1)C(C)C ZINC000825476386 609177225 /nfs/dbraw/zinc/17/72/25/609177225.db2.gz IKFQKJDEZXIVFZ-UHFFFAOYSA-N -1 3 393.495 3.148 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000825476795 609177256 /nfs/dbraw/zinc/17/72/56/609177256.db2.gz WRUVFZJBXFWLEK-MRXNPFEDSA-N -1 3 397.870 3.169 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000825480659 609177822 /nfs/dbraw/zinc/17/78/22/609177822.db2.gz FOEHYEYGZXXFII-AWEZNQCLSA-N -1 3 393.495 3.150 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1c(C)cc(C)cc1C ZINC000825480695 609177841 /nfs/dbraw/zinc/17/78/41/609177841.db2.gz GUZACVQMXUTPOI-UHFFFAOYSA-N -1 3 379.468 3.274 20 0 GGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826162605 609182470 /nfs/dbraw/zinc/18/24/70/609182470.db2.gz JYRNSBXRRYXJRG-LLVKDONJSA-N -1 3 375.379 3.343 20 0 GGADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826162605 609182472 /nfs/dbraw/zinc/18/24/72/609182472.db2.gz JYRNSBXRRYXJRG-LLVKDONJSA-N -1 3 375.379 3.343 20 0 GGADHM Cc1ncc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c(C)n1 ZINC000826329398 609184065 /nfs/dbraw/zinc/18/40/65/609184065.db2.gz BANDOXCVFWMNEF-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1ncc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C)n1 ZINC000826329398 609184067 /nfs/dbraw/zinc/18/40/67/609184067.db2.gz BANDOXCVFWMNEF-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)nn1-c1cccc(Cl)c1 ZINC000826260562 609184176 /nfs/dbraw/zinc/18/41/76/609184176.db2.gz URIOJGKSCHFVOC-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)nn1-c1cccc(Cl)c1 ZINC000826260562 609184178 /nfs/dbraw/zinc/18/41/78/609184178.db2.gz URIOJGKSCHFVOC-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824473322 609184881 /nfs/dbraw/zinc/18/48/81/609184881.db2.gz ZYJFBZHEAFQCCP-RFAUZJTJSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824473322 609184882 /nfs/dbraw/zinc/18/48/82/609184882.db2.gz ZYJFBZHEAFQCCP-RFAUZJTJSA-N -1 3 392.246 3.084 20 0 GGADHM O=C(Nc1cccc(C2SCCS2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456507 609187342 /nfs/dbraw/zinc/18/73/42/609187342.db2.gz ILMOAODDOHFAQA-HNNXBMFYSA-N -1 3 399.501 3.017 20 0 GGADHM O=C(Nc1cccc(C2SCCS2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456507 609187343 /nfs/dbraw/zinc/18/73/43/609187343.db2.gz ILMOAODDOHFAQA-HNNXBMFYSA-N -1 3 399.501 3.017 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000825958443 609188234 /nfs/dbraw/zinc/18/82/34/609188234.db2.gz WRXQMFVBAZTAME-QGZVFWFLSA-N -1 3 396.426 3.061 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000825958443 609188236 /nfs/dbraw/zinc/18/82/36/609188236.db2.gz WRXQMFVBAZTAME-QGZVFWFLSA-N -1 3 396.426 3.061 20 0 GGADHM O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434145 609192691 /nfs/dbraw/zinc/19/26/91/609192691.db2.gz DMIVIJHCNONKHJ-HHKQBGFESA-N -1 3 396.454 3.222 20 0 GGADHM O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434145 609192692 /nfs/dbraw/zinc/19/26/92/609192692.db2.gz DMIVIJHCNONKHJ-HHKQBGFESA-N -1 3 396.454 3.222 20 0 GGADHM COc1cc([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccc1OC1CCCC1 ZINC000826177718 609196446 /nfs/dbraw/zinc/19/64/46/609196446.db2.gz RRHJNGLBLPMMKF-GFCCVEGCSA-N -1 3 396.451 3.016 20 0 GGADHM COc1cc([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccc1OC1CCCC1 ZINC000826177718 609196447 /nfs/dbraw/zinc/19/64/47/609196447.db2.gz RRHJNGLBLPMMKF-GFCCVEGCSA-N -1 3 396.451 3.016 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2ccc(C)cc2)cc1 ZINC000826189113 609202876 /nfs/dbraw/zinc/20/28/76/609202876.db2.gz NSNQLUKWIDRDAC-IBGZPJMESA-N -1 3 388.431 3.031 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2ccc(C)cc2)cc1 ZINC000826189113 609202877 /nfs/dbraw/zinc/20/28/77/609202877.db2.gz NSNQLUKWIDRDAC-IBGZPJMESA-N -1 3 388.431 3.031 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1c2nsnc2ccc1Cl ZINC000826402056 609204403 /nfs/dbraw/zinc/20/44/03/609204403.db2.gz MDPHHWOBTWRPMX-VMPITWQZSA-N -1 3 383.824 3.177 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1c2nsnc2ccc1Cl ZINC000826402056 609204405 /nfs/dbraw/zinc/20/44/05/609204405.db2.gz MDPHHWOBTWRPMX-VMPITWQZSA-N -1 3 383.824 3.177 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824761767 609207170 /nfs/dbraw/zinc/20/71/70/609207170.db2.gz CIIDPVIKFKACJM-KPZWWZAWSA-N -1 3 397.866 3.306 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824761767 609207171 /nfs/dbraw/zinc/20/71/71/609207171.db2.gz CIIDPVIKFKACJM-KPZWWZAWSA-N -1 3 397.866 3.306 20 0 GGADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000825282733 609214668 /nfs/dbraw/zinc/21/46/68/609214668.db2.gz YFXCNRTXMUTLDE-BEFAXECRSA-N -1 3 379.464 3.290 20 0 GGADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000825282733 609214669 /nfs/dbraw/zinc/21/46/69/609214669.db2.gz YFXCNRTXMUTLDE-BEFAXECRSA-N -1 3 379.464 3.290 20 0 GGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826454578 609218274 /nfs/dbraw/zinc/21/82/74/609218274.db2.gz BGPNBUPIQNLHMD-LJQANCHMSA-N -1 3 392.463 3.283 20 0 GGADHM O=C(Nc1ccc(NC2CCCCC2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826454578 609218275 /nfs/dbraw/zinc/21/82/75/609218275.db2.gz BGPNBUPIQNLHMD-LJQANCHMSA-N -1 3 392.463 3.283 20 0 GGADHM CCC(CC)(NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000825097108 609218816 /nfs/dbraw/zinc/21/88/16/609218816.db2.gz TWFZQBIJGPZSGZ-KRWDZBQOSA-N -1 3 399.882 3.385 20 0 GGADHM CCC(CC)(NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825097108 609218817 /nfs/dbraw/zinc/21/88/17/609218817.db2.gz TWFZQBIJGPZSGZ-KRWDZBQOSA-N -1 3 399.882 3.385 20 0 GGADHM Cc1cccc(-c2cccc(CNC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000826295555 609219399 /nfs/dbraw/zinc/21/93/99/609219399.db2.gz MNOQGSKXQIPWID-NRFANRHFSA-N -1 3 399.454 3.192 20 0 GGADHM Cc1cccc(-c2cccc(CNC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826295555 609219400 /nfs/dbraw/zinc/21/94/00/609219400.db2.gz MNOQGSKXQIPWID-NRFANRHFSA-N -1 3 399.454 3.192 20 0 GGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825980556 609219898 /nfs/dbraw/zinc/21/98/98/609219898.db2.gz FENRWNMWDNMRME-NRFANRHFSA-N -1 3 399.454 3.226 20 0 GGADHM CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825980556 609219901 /nfs/dbraw/zinc/21/99/01/609219901.db2.gz FENRWNMWDNMRME-NRFANRHFSA-N -1 3 399.454 3.226 20 0 GGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427767 609225109 /nfs/dbraw/zinc/22/51/09/609225109.db2.gz ZUFHWSDVFKCGOP-ROUUACIJSA-N -1 3 397.866 3.211 20 0 GGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427767 609225111 /nfs/dbraw/zinc/22/51/11/609225111.db2.gz ZUFHWSDVFKCGOP-ROUUACIJSA-N -1 3 397.866 3.211 20 0 GGADHM CC(C)C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824237422 609236075 /nfs/dbraw/zinc/23/60/75/609236075.db2.gz RXPBJLOVPMJJQS-QZTJIDSGSA-N -1 3 399.882 3.457 20 0 GGADHM CC(C)C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000824237422 609236076 /nfs/dbraw/zinc/23/60/76/609236076.db2.gz RXPBJLOVPMJJQS-QZTJIDSGSA-N -1 3 399.882 3.457 20 0 GGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824769809 609236109 /nfs/dbraw/zinc/23/61/09/609236109.db2.gz BEHHCSWQUUTACC-FOIQADDNSA-N -1 3 391.475 3.290 20 0 GGADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824769809 609236110 /nfs/dbraw/zinc/23/61/10/609236110.db2.gz BEHHCSWQUUTACC-FOIQADDNSA-N -1 3 391.475 3.290 20 0 GGADHM CCC(CC)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825095848 609239558 /nfs/dbraw/zinc/23/95/58/609239558.db2.gz JFGLGYUJQLNUJC-OALUTQOASA-N -1 3 379.464 3.194 20 0 GGADHM CCC(CC)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825095848 609239559 /nfs/dbraw/zinc/23/95/59/609239559.db2.gz JFGLGYUJQLNUJC-OALUTQOASA-N -1 3 379.464 3.194 20 0 GGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000824655064 609239856 /nfs/dbraw/zinc/23/98/56/609239856.db2.gz BBKUABNTPYNAJB-ZDUSSCGKSA-N -1 3 382.443 3.140 20 0 GGADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000824655064 609239857 /nfs/dbraw/zinc/23/98/57/609239857.db2.gz BBKUABNTPYNAJB-ZDUSSCGKSA-N -1 3 382.443 3.140 20 0 GGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000824655059 609239859 /nfs/dbraw/zinc/23/98/59/609239859.db2.gz BBKUABNTPYNAJB-CYBMUJFWSA-N -1 3 382.443 3.140 20 0 GGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000824655059 609239860 /nfs/dbraw/zinc/23/98/60/609239860.db2.gz BBKUABNTPYNAJB-CYBMUJFWSA-N -1 3 382.443 3.140 20 0 GGADHM CC[C@@H](Cc1ccccc1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825127282 609240653 /nfs/dbraw/zinc/24/06/53/609240653.db2.gz LWZBMZRKLVXEBT-KRWDZBQOSA-N -1 3 392.507 3.261 20 0 GGADHM CC[C@@H](Cc1ccccc1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825127282 609240655 /nfs/dbraw/zinc/24/06/55/609240655.db2.gz LWZBMZRKLVXEBT-KRWDZBQOSA-N -1 3 392.507 3.261 20 0 GGADHM C[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825012556 609242171 /nfs/dbraw/zinc/24/21/71/609242171.db2.gz JKDKPQHRDRDXJS-SZNDQCEHSA-N -1 3 390.491 3.173 20 0 GGADHM C[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825012556 609242172 /nfs/dbraw/zinc/24/21/72/609242172.db2.gz JKDKPQHRDRDXJS-SZNDQCEHSA-N -1 3 390.491 3.173 20 0 GGADHM OC1CCN(c2ccc(N[C@@H](c3ccccc3)C3CC3)cc2-c2nnn[n-]2)CC1 ZINC000826507543 609242801 /nfs/dbraw/zinc/24/28/01/609242801.db2.gz QKHUCMJCMSVGKC-NRFANRHFSA-N -1 3 390.491 3.391 20 0 GGADHM OC1CCN(c2ccc(N[C@@H](c3ccccc3)C3CC3)cc2-c2nn[n-]n2)CC1 ZINC000826507543 609242802 /nfs/dbraw/zinc/24/28/02/609242802.db2.gz QKHUCMJCMSVGKC-NRFANRHFSA-N -1 3 390.491 3.391 20 0 GGADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000826305402 609242998 /nfs/dbraw/zinc/24/29/98/609242998.db2.gz VGWPTBGESFFGJY-FQEVSTJZSA-N -1 3 390.491 3.236 20 0 GGADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000826305402 609243000 /nfs/dbraw/zinc/24/30/00/609243000.db2.gz VGWPTBGESFFGJY-FQEVSTJZSA-N -1 3 390.491 3.236 20 0 GGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(OC)c1OC ZINC000826210514 609247486 /nfs/dbraw/zinc/24/74/86/609247486.db2.gz UTJFMTIOPUBGJU-HNNXBMFYSA-N -1 3 381.436 3.382 20 0 GGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(OC)c1OC ZINC000826210514 609247488 /nfs/dbraw/zinc/24/74/88/609247488.db2.gz UTJFMTIOPUBGJU-HNNXBMFYSA-N -1 3 381.436 3.382 20 0 GGADHM CCCNc1ccc(Cl)cc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825333248 609249902 /nfs/dbraw/zinc/24/99/02/609249902.db2.gz TZTMSCXDSGSLMX-MRXNPFEDSA-N -1 3 386.843 3.014 20 0 GGADHM CCCNc1ccc(Cl)cc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825333248 609249903 /nfs/dbraw/zinc/24/99/03/609249903.db2.gz TZTMSCXDSGSLMX-MRXNPFEDSA-N -1 3 386.843 3.014 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)=O)cc1F ZINC000825332999 609260148 /nfs/dbraw/zinc/26/01/48/609260148.db2.gz OVDSYUPDTVBLHL-UHFFFAOYSA-N -1 3 382.399 3.283 20 0 GGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000826475732 609260461 /nfs/dbraw/zinc/26/04/61/609260461.db2.gz OMARRWUNXLWPCC-ZDUSSCGKSA-N -1 3 375.219 3.156 20 0 GGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000826475732 609260463 /nfs/dbraw/zinc/26/04/63/609260463.db2.gz OMARRWUNXLWPCC-ZDUSSCGKSA-N -1 3 375.219 3.156 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826185691 609271047 /nfs/dbraw/zinc/27/10/47/609271047.db2.gz QVWHUBSSZHPDPP-CQSZACIVSA-N -1 3 398.398 3.050 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826185691 609271050 /nfs/dbraw/zinc/27/10/50/609271050.db2.gz QVWHUBSSZHPDPP-CQSZACIVSA-N -1 3 398.398 3.050 20 0 GGADHM COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826187458 609276799 /nfs/dbraw/zinc/27/67/99/609276799.db2.gz QYZFAMLKQQJYBC-CQSZACIVSA-N -1 3 392.463 3.284 20 0 GGADHM COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826187458 609276800 /nfs/dbraw/zinc/27/68/00/609276800.db2.gz QYZFAMLKQQJYBC-CQSZACIVSA-N -1 3 392.463 3.284 20 0 GGADHM O=C1NC2(CCCC2)C(=O)N1c1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826482279 609277387 /nfs/dbraw/zinc/27/73/87/609277387.db2.gz YLPPVIVVLAEIHF-UHFFFAOYSA-N -1 3 390.403 3.028 20 0 GGADHM O=C1NC2(CCCC2)C(=O)N1c1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826482279 609277388 /nfs/dbraw/zinc/27/73/88/609277388.db2.gz YLPPVIVVLAEIHF-UHFFFAOYSA-N -1 3 390.403 3.028 20 0 GGADHM Cc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)cc1OC(F)F)OCO2 ZINC000826273074 609278301 /nfs/dbraw/zinc/27/83/01/609278301.db2.gz OJDQKMVIONGFCH-UHFFFAOYSA-N -1 3 375.335 3.117 20 0 GGADHM Cc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)cc1OC(F)F)OCO2 ZINC000826273074 609278303 /nfs/dbraw/zinc/27/83/03/609278303.db2.gz OJDQKMVIONGFCH-UHFFFAOYSA-N -1 3 375.335 3.117 20 0 GGADHM Cc1nc(COc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2)no1 ZINC000826326418 609280472 /nfs/dbraw/zinc/28/04/72/609280472.db2.gz OQSIIPJHVCTMOJ-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM Cc1nc(COc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)cc2)no1 ZINC000826326418 609280474 /nfs/dbraw/zinc/28/04/74/609280474.db2.gz OQSIIPJHVCTMOJ-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM Cc1nc(COc2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2)no1 ZINC000826326417 609280538 /nfs/dbraw/zinc/28/05/38/609280538.db2.gz OQSIIPJHVCTMOJ-LLVKDONJSA-N -1 3 395.398 3.449 20 0 GGADHM Cc1nc(COc2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)cc2)no1 ZINC000826326417 609280540 /nfs/dbraw/zinc/28/05/40/609280540.db2.gz OQSIIPJHVCTMOJ-LLVKDONJSA-N -1 3 395.398 3.449 20 0 GGADHM Cc1nnc(-c2cccc(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)c2)n1C ZINC000826335273 609280798 /nfs/dbraw/zinc/28/07/98/609280798.db2.gz GUIVYFBMWVLLEQ-IBGZPJMESA-N -1 3 386.463 3.460 20 0 GGADHM Cc1nnc(-c2cccc(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)c2)n1C ZINC000826335273 609280800 /nfs/dbraw/zinc/28/08/00/609280800.db2.gz GUIVYFBMWVLLEQ-IBGZPJMESA-N -1 3 386.463 3.460 20 0 GGADHM CCOC(=O)CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000825518428 609281275 /nfs/dbraw/zinc/28/12/75/609281275.db2.gz ZZXFMVSIJXTKMQ-CQSZACIVSA-N -1 3 383.427 3.132 20 0 GGADHM CCOC(=O)CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000825518428 609281277 /nfs/dbraw/zinc/28/12/77/609281277.db2.gz ZZXFMVSIJXTKMQ-CQSZACIVSA-N -1 3 383.427 3.132 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824113800 609281389 /nfs/dbraw/zinc/28/13/89/609281389.db2.gz DNPVYQRHHZGVTL-KRWDZBQOSA-N -1 3 383.427 3.178 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](NCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824113800 609281391 /nfs/dbraw/zinc/28/13/91/609281391.db2.gz DNPVYQRHHZGVTL-KRWDZBQOSA-N -1 3 383.427 3.178 20 0 GGADHM C[C@]1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCCOC1 ZINC000824784177 609282138 /nfs/dbraw/zinc/28/21/38/609282138.db2.gz OEJAMQGGYYGSSI-IBGZPJMESA-N -1 3 383.477 3.028 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC000824739453 609285521 /nfs/dbraw/zinc/28/55/21/609285521.db2.gz XKIINNQCDYJMNQ-QWRGUYRKSA-N -1 3 385.449 3.272 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)N1CCC=C(F)C1 ZINC000826474234 609286349 /nfs/dbraw/zinc/28/63/49/609286349.db2.gz HIPTXHVBLYQGSY-UHFFFAOYSA-N -1 3 379.395 3.145 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N1CCC=C(F)C1 ZINC000826474234 609286350 /nfs/dbraw/zinc/28/63/50/609286350.db2.gz HIPTXHVBLYQGSY-UHFFFAOYSA-N -1 3 379.395 3.145 20 0 GGADHM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825945942 609286690 /nfs/dbraw/zinc/28/66/90/609286690.db2.gz BPCMYFJYAJXRLX-UHFFFAOYSA-N -1 3 392.246 3.325 20 0 GGADHM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825945942 609286691 /nfs/dbraw/zinc/28/66/91/609286691.db2.gz BPCMYFJYAJXRLX-UHFFFAOYSA-N -1 3 392.246 3.325 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824392124 609287061 /nfs/dbraw/zinc/28/70/61/609287061.db2.gz MFXOSRPBWRZMQN-LBPRGKRZSA-N -1 3 383.431 3.346 20 0 GGADHM Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)ccc2s1 ZINC000826328315 609287613 /nfs/dbraw/zinc/28/76/13/609287613.db2.gz NGGWOJNCJQXTJD-SNVBAGLBSA-N -1 3 380.433 3.191 20 0 GGADHM Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)ccc2s1 ZINC000826328315 609287614 /nfs/dbraw/zinc/28/76/14/609287614.db2.gz NGGWOJNCJQXTJD-SNVBAGLBSA-N -1 3 380.433 3.191 20 0 GGADHM CSc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826230516 609287670 /nfs/dbraw/zinc/28/76/70/609287670.db2.gz XFEHFGGMSFPVKA-UHFFFAOYSA-N -1 3 395.423 3.166 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826208911 609288555 /nfs/dbraw/zinc/28/85/55/609288555.db2.gz FRLLYBUTNDIDMA-SECBINFHSA-N -1 3 375.791 3.159 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826208911 609288556 /nfs/dbraw/zinc/28/85/56/609288556.db2.gz FRLLYBUTNDIDMA-SECBINFHSA-N -1 3 375.791 3.159 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1 ZINC000824803022 609288747 /nfs/dbraw/zinc/28/87/47/609288747.db2.gz RKWZGKYZYAAWLZ-GFCCVEGCSA-N -1 3 383.431 3.346 20 0 GGADHM CC(C)(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccccc1 ZINC000824064761 609290224 /nfs/dbraw/zinc/29/02/24/609290224.db2.gz LNLMIWYREXUFRQ-UHFFFAOYSA-N -1 3 391.410 3.108 20 0 GGADHM CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)O[C@@H](C)C2 ZINC000825615690 609290309 /nfs/dbraw/zinc/29/03/09/609290309.db2.gz HBDNHUMYCWGALV-JTQLQIEISA-N -1 3 399.838 3.495 20 0 GGADHM CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)O[C@@H](C)C2 ZINC000825615690 609290310 /nfs/dbraw/zinc/29/03/10/609290310.db2.gz HBDNHUMYCWGALV-JTQLQIEISA-N -1 3 399.838 3.495 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826219728 609290496 /nfs/dbraw/zinc/29/04/96/609290496.db2.gz OLIFOXDQVBWQAM-HNNXBMFYSA-N -1 3 397.866 3.376 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826219728 609290498 /nfs/dbraw/zinc/29/04/98/609290498.db2.gz OLIFOXDQVBWQAM-HNNXBMFYSA-N -1 3 397.866 3.376 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(C)s1 ZINC000826260348 609291316 /nfs/dbraw/zinc/29/13/16/609291316.db2.gz KARZNMQYEPPUIZ-UHFFFAOYSA-N -1 3 383.412 3.122 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826217116 609292103 /nfs/dbraw/zinc/29/21/03/609292103.db2.gz ZFSWETGTQVYWLJ-SECBINFHSA-N -1 3 375.791 3.159 20 0 GGADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826217116 609292104 /nfs/dbraw/zinc/29/21/04/609292104.db2.gz ZFSWETGTQVYWLJ-SECBINFHSA-N -1 3 375.791 3.159 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544207701 609292911 /nfs/dbraw/zinc/29/29/11/609292911.db2.gz QAQIFBBKSCHENW-INIZCTEOSA-N -1 3 391.479 3.312 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544207701 609292913 /nfs/dbraw/zinc/29/29/13/609292913.db2.gz QAQIFBBKSCHENW-INIZCTEOSA-N -1 3 391.479 3.312 20 0 GGADHM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824679787 609294506 /nfs/dbraw/zinc/29/45/06/609294506.db2.gz VXLBPOSBWOUTQU-KUHUBIRLSA-N -1 3 393.447 3.035 20 0 GGADHM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824679787 609294508 /nfs/dbraw/zinc/29/45/08/609294508.db2.gz VXLBPOSBWOUTQU-KUHUBIRLSA-N -1 3 393.447 3.035 20 0 GGADHM CC1(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCCCC1 ZINC000824784593 609295465 /nfs/dbraw/zinc/29/54/65/609295465.db2.gz XAYRXNYTCWZCDD-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM CC1(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCCCCC1 ZINC000824784593 609295467 /nfs/dbraw/zinc/29/54/67/609295467.db2.gz XAYRXNYTCWZCDD-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826458671 609298999 /nfs/dbraw/zinc/29/89/99/609298999.db2.gz AIWPVFNUUQJHMF-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826458671 609299001 /nfs/dbraw/zinc/29/90/01/609299001.db2.gz AIWPVFNUUQJHMF-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824079563 609299484 /nfs/dbraw/zinc/29/94/84/609299484.db2.gz PFSHTSVJLZRYEV-IUODEOHRSA-N -1 3 377.876 3.091 20 0 GGADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824079563 609299486 /nfs/dbraw/zinc/29/94/86/609299486.db2.gz PFSHTSVJLZRYEV-IUODEOHRSA-N -1 3 377.876 3.091 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826321500 609299626 /nfs/dbraw/zinc/29/96/26/609299626.db2.gz GWLXHNLFAJLCTH-KRWDZBQOSA-N -1 3 394.483 3.034 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826321500 609299627 /nfs/dbraw/zinc/29/96/27/609299627.db2.gz GWLXHNLFAJLCTH-KRWDZBQOSA-N -1 3 394.483 3.034 20 0 GGADHM O=C(NCc1ccccc1OC1CCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826443467 609300896 /nfs/dbraw/zinc/30/08/96/609300896.db2.gz QHDLCKAECBCCGJ-UHFFFAOYSA-N -1 3 383.839 3.381 20 0 GGADHM O=C(NCc1ccccc1OC1CCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826443467 609300898 /nfs/dbraw/zinc/30/08/98/609300898.db2.gz QHDLCKAECBCCGJ-UHFFFAOYSA-N -1 3 383.839 3.381 20 0 GGADHM Cc1cc2c(cc1NC(=O)c1c(Cl)cc(-c3nnn[n-]3)cc1Cl)OCO2 ZINC000826273129 609305474 /nfs/dbraw/zinc/30/54/74/609305474.db2.gz QMPWZSCHVSEFDC-UHFFFAOYSA-N -1 3 392.202 3.463 20 0 GGADHM Cc1cc2c(cc1NC(=O)c1c(Cl)cc(-c3nn[n-]n3)cc1Cl)OCO2 ZINC000826273129 609305475 /nfs/dbraw/zinc/30/54/75/609305475.db2.gz QMPWZSCHVSEFDC-UHFFFAOYSA-N -1 3 392.202 3.463 20 0 GGADHM Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826336850 609305868 /nfs/dbraw/zinc/30/58/68/609305868.db2.gz QNINOWCCKDMYFE-UHFFFAOYSA-N -1 3 379.449 3.038 20 0 GGADHM Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826336850 609305871 /nfs/dbraw/zinc/30/58/71/609305871.db2.gz QNINOWCCKDMYFE-UHFFFAOYSA-N -1 3 379.449 3.038 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](F)Cc1ccccc1 ZINC000825605218 609307326 /nfs/dbraw/zinc/30/73/26/609307326.db2.gz RTNVTGVZQGQGNP-AWEZNQCLSA-N -1 3 390.802 3.405 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](F)Cc1ccccc1 ZINC000825605218 609307327 /nfs/dbraw/zinc/30/73/27/609307327.db2.gz RTNVTGVZQGQGNP-AWEZNQCLSA-N -1 3 390.802 3.405 20 0 GGADHM Cc1nnc(SCc2ccc(Br)s2)c(-c2nnn[n-]2)c1C ZINC000826337119 609308873 /nfs/dbraw/zinc/30/88/73/609308873.db2.gz CDAAYOZPBXQPAX-UHFFFAOYSA-N -1 3 383.300 3.390 20 0 GGADHM Cc1nnc(SCc2ccc(Br)s2)c(-c2nn[n-]n2)c1C ZINC000826337119 609308875 /nfs/dbraw/zinc/30/88/75/609308875.db2.gz CDAAYOZPBXQPAX-UHFFFAOYSA-N -1 3 383.300 3.390 20 0 GGADHM O=C(NCCc1ccccn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826440095 609311957 /nfs/dbraw/zinc/31/19/57/609311957.db2.gz YEWOIKPWRRKSST-UHFFFAOYSA-N -1 3 386.415 3.027 20 0 GGADHM O=C(NCCc1ccccn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826440095 609311958 /nfs/dbraw/zinc/31/19/58/609311958.db2.gz YEWOIKPWRRKSST-UHFFFAOYSA-N -1 3 386.415 3.027 20 0 GGADHM CC[C@H](C)n1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1C ZINC000825074963 609312705 /nfs/dbraw/zinc/31/27/05/609312705.db2.gz LSDKEEXRGTWHEN-AWEZNQCLSA-N -1 3 381.484 3.393 20 0 GGADHM CC[C@H](C)n1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1C ZINC000825074963 609312706 /nfs/dbraw/zinc/31/27/06/609312706.db2.gz LSDKEEXRGTWHEN-AWEZNQCLSA-N -1 3 381.484 3.393 20 0 GGADHM O=C(CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)NCC1CCC1 ZINC000826414185 609313992 /nfs/dbraw/zinc/31/39/92/609313992.db2.gz JLJRIWWWZBOUSX-UHFFFAOYSA-N -1 3 396.426 3.126 20 0 GGADHM O=C(CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)NCC1CCC1 ZINC000826414185 609313994 /nfs/dbraw/zinc/31/39/94/609313994.db2.gz JLJRIWWWZBOUSX-UHFFFAOYSA-N -1 3 396.426 3.126 20 0 GGADHM CCOc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825653540 609319619 /nfs/dbraw/zinc/31/96/19/609319619.db2.gz DTDNFVRLTJYIFV-UHFFFAOYSA-N -1 3 379.399 3.202 20 0 GGADHM Fc1ccc(/C=C/CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826373988 609319984 /nfs/dbraw/zinc/31/99/84/609319984.db2.gz HKFLNYMNWMQCLS-NSCUHMNNSA-N -1 3 379.374 3.456 20 0 GGADHM CC(C)[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000824224677 609320555 /nfs/dbraw/zinc/32/05/55/609320555.db2.gz QADAIYAEHGCWTA-CYBMUJFWSA-N -1 3 376.823 3.069 20 0 GGADHM CC(C)[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000824224677 609320556 /nfs/dbraw/zinc/32/05/56/609320556.db2.gz QADAIYAEHGCWTA-CYBMUJFWSA-N -1 3 376.823 3.069 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536945 609324691 /nfs/dbraw/zinc/32/46/91/609324691.db2.gz AQWSZNYWMWCUAW-XIKOKIGWSA-N -1 3 395.417 3.319 20 0 GGADHM C[C@@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824536945 609324693 /nfs/dbraw/zinc/32/46/93/609324693.db2.gz AQWSZNYWMWCUAW-XIKOKIGWSA-N -1 3 395.417 3.319 20 0 GGADHM CO[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000826144124 609327810 /nfs/dbraw/zinc/32/78/10/609327810.db2.gz BWRHXANTAGSSKN-ZWKOTPCHSA-N -1 3 393.447 3.202 20 0 GGADHM CO[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000826144124 609327812 /nfs/dbraw/zinc/32/78/12/609327812.db2.gz BWRHXANTAGSSKN-ZWKOTPCHSA-N -1 3 393.447 3.202 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1COc1ccc2nccnc2c1 ZINC000823820755 609328412 /nfs/dbraw/zinc/32/84/12/609328412.db2.gz KMRHFNYGQKVIQH-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1COc1ccc2nccnc2c1 ZINC000823820755 609328413 /nfs/dbraw/zinc/32/84/13/609328413.db2.gz KMRHFNYGQKVIQH-UHFFFAOYSA-N -1 3 383.209 3.151 20 0 GGADHM Cc1cccc(S(=O)(=O)Oc2ccc(-c3ccccc3)nc2)c1-c1nnn[n-]1 ZINC000826303692 609329741 /nfs/dbraw/zinc/32/97/41/609329741.db2.gz AEFLRDVRMGTAHY-UHFFFAOYSA-N -1 3 393.428 3.005 20 0 GGADHM C[C@@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824754047 609330620 /nfs/dbraw/zinc/33/06/20/609330620.db2.gz HOKHLDOYPOVGFU-GFCCVEGCSA-N -1 3 394.460 3.119 20 0 GGADHM C[C@@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824754047 609330622 /nfs/dbraw/zinc/33/06/22/609330622.db2.gz HOKHLDOYPOVGFU-GFCCVEGCSA-N -1 3 394.460 3.119 20 0 GGADHM COc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000826217079 609331389 /nfs/dbraw/zinc/33/13/89/609331389.db2.gz YDPUSDGWTFVOCF-UHFFFAOYSA-N -1 3 392.282 3.466 20 0 GGADHM COc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826217079 609331391 /nfs/dbraw/zinc/33/13/91/609331391.db2.gz YDPUSDGWTFVOCF-UHFFFAOYSA-N -1 3 392.282 3.466 20 0 GGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826426229 609332828 /nfs/dbraw/zinc/33/28/28/609332828.db2.gz IHAXAJPLDFWXEP-OAHLLOKOSA-N -1 3 375.354 3.160 20 0 GGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826426229 609332829 /nfs/dbraw/zinc/33/28/29/609332829.db2.gz IHAXAJPLDFWXEP-OAHLLOKOSA-N -1 3 375.354 3.160 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nnc2n1CCCCC2 ZINC000825140511 609333786 /nfs/dbraw/zinc/33/37/86/609333786.db2.gz KFBQRPCWAGEWBD-LRDDRELGSA-N -1 3 384.463 3.126 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nnc2n1CCCCC2 ZINC000825140511 609333787 /nfs/dbraw/zinc/33/37/87/609333787.db2.gz KFBQRPCWAGEWBD-LRDDRELGSA-N -1 3 384.463 3.126 20 0 GGADHM O=C(Nc1ncccc1Cl)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826460507 609335060 /nfs/dbraw/zinc/33/50/60/609335060.db2.gz GDWRDYOPLXXZBX-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1ncccc1Cl)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826460507 609335062 /nfs/dbraw/zinc/33/50/62/609335062.db2.gz GDWRDYOPLXXZBX-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM CCOCc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825603811 609342961 /nfs/dbraw/zinc/34/29/61/609342961.db2.gz CUKJLIUYNVBGNY-UHFFFAOYSA-N -1 3 389.463 3.416 20 0 GGADHM CCOCc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825603811 609342963 /nfs/dbraw/zinc/34/29/63/609342963.db2.gz CUKJLIUYNVBGNY-UHFFFAOYSA-N -1 3 389.463 3.416 20 0 GGADHM Cn1cc(CNc2cnn(-c3ccccc3)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362412 609343538 /nfs/dbraw/zinc/34/35/38/609343538.db2.gz RCYVBJLXEKHUKH-UHFFFAOYSA-N -1 3 397.446 3.065 20 0 GGADHM Cn1cc(CNc2cnn(-c3ccccc3)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362412 609343540 /nfs/dbraw/zinc/34/35/40/609343540.db2.gz RCYVBJLXEKHUKH-UHFFFAOYSA-N -1 3 397.446 3.065 20 0 GGADHM Cc1c(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cnn1-c1cc(C)ccc1C ZINC000826284163 609344611 /nfs/dbraw/zinc/34/46/11/609344611.db2.gz LZGDJWCCHCTEQP-UHFFFAOYSA-N -1 3 399.462 3.237 20 0 GGADHM Cc1c(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cnn1-c1cc(C)ccc1C ZINC000826284163 609344612 /nfs/dbraw/zinc/34/46/12/609344612.db2.gz LZGDJWCCHCTEQP-UHFFFAOYSA-N -1 3 399.462 3.237 20 0 GGADHM C[C@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824531605 609344990 /nfs/dbraw/zinc/34/49/90/609344990.db2.gz PPPZIROAYJLBDS-QFYYESIMSA-N -1 3 395.360 3.409 20 0 GGADHM CC(C)c1ocnc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824371641 609346016 /nfs/dbraw/zinc/34/60/16/609346016.db2.gz MUQCUYDYOYMVPM-UHFFFAOYSA-N -1 3 392.213 3.098 20 0 GGADHM CC(C)c1ocnc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824371641 609346018 /nfs/dbraw/zinc/34/60/18/609346018.db2.gz MUQCUYDYOYMVPM-UHFFFAOYSA-N -1 3 392.213 3.098 20 0 GGADHM COc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826221663 609346984 /nfs/dbraw/zinc/34/69/84/609346984.db2.gz PCYYJTYLKAELNK-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM COc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826221663 609346985 /nfs/dbraw/zinc/34/69/85/609346985.db2.gz PCYYJTYLKAELNK-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000824728320 609347530 /nfs/dbraw/zinc/34/75/30/609347530.db2.gz FIKLKJKNAVHTJP-MFKMUULPSA-N -1 3 385.390 3.117 20 0 GGADHM C[C@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662154 609349265 /nfs/dbraw/zinc/34/92/65/609349265.db2.gz DTKZIRSUZVDVFX-NSHDSACASA-N -1 3 386.456 3.146 20 0 GGADHM C[C@H](Nc1ccccc1SCCC(N)=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662154 609349268 /nfs/dbraw/zinc/34/92/68/609349268.db2.gz DTKZIRSUZVDVFX-NSHDSACASA-N -1 3 386.456 3.146 20 0 GGADHM COCCn1ncc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000826163855 609349689 /nfs/dbraw/zinc/34/96/89/609349689.db2.gz OOZRZYZZLIOXQD-LBPRGKRZSA-N -1 3 381.415 3.175 20 0 GGADHM COCCn1ncc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000826163855 609349690 /nfs/dbraw/zinc/34/96/90/609349690.db2.gz OOZRZYZZLIOXQD-LBPRGKRZSA-N -1 3 381.415 3.175 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826419017 609350869 /nfs/dbraw/zinc/35/08/69/609350869.db2.gz GOTDPEHDQAJMBT-QGZVFWFLSA-N -1 3 393.422 3.137 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826419017 609350872 /nfs/dbraw/zinc/35/08/72/609350872.db2.gz GOTDPEHDQAJMBT-QGZVFWFLSA-N -1 3 393.422 3.137 20 0 GGADHM O=C(OCCCCCCO)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826463783 609352857 /nfs/dbraw/zinc/35/28/57/609352857.db2.gz UUXKAZJTFGFNGM-UHFFFAOYSA-N -1 3 382.420 3.369 20 0 GGADHM O=C(OCCCCCCO)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826463783 609352859 /nfs/dbraw/zinc/35/28/59/609352859.db2.gz UUXKAZJTFGFNGM-UHFFFAOYSA-N -1 3 382.420 3.369 20 0 GGADHM CN(Cc1cccnc1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825986030 609364236 /nfs/dbraw/zinc/36/42/36/609364236.db2.gz LFSRCEMAYBZYHS-UHFFFAOYSA-N -1 3 386.415 3.326 20 0 GGADHM CN(Cc1cccnc1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825986030 609364239 /nfs/dbraw/zinc/36/42/39/609364239.db2.gz LFSRCEMAYBZYHS-UHFFFAOYSA-N -1 3 386.415 3.326 20 0 GGADHM Fc1cccc2c1CCN(Cc1ccc(-c3nnn[n-]3)cc1Br)C2 ZINC000826377937 609367800 /nfs/dbraw/zinc/36/78/00/609367800.db2.gz NNGLIZSZFJCLHK-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1cccc2c1CCN(Cc1ccc(-c3nn[n-]n3)cc1Br)C2 ZINC000826377937 609367802 /nfs/dbraw/zinc/36/78/02/609367802.db2.gz NNGLIZSZFJCLHK-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM COC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC000826151191 609368822 /nfs/dbraw/zinc/36/88/22/609368822.db2.gz VUKBQCCRPZDTNR-MRXNPFEDSA-N -1 3 388.269 3.107 20 0 GGADHM COC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826151191 609368823 /nfs/dbraw/zinc/36/88/23/609368823.db2.gz VUKBQCCRPZDTNR-MRXNPFEDSA-N -1 3 388.269 3.107 20 0 GGADHM COC[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC000826151190 609369246 /nfs/dbraw/zinc/36/92/46/609369246.db2.gz VUKBQCCRPZDTNR-INIZCTEOSA-N -1 3 388.269 3.107 20 0 GGADHM COC[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826151190 609369249 /nfs/dbraw/zinc/36/92/49/609369249.db2.gz VUKBQCCRPZDTNR-INIZCTEOSA-N -1 3 388.269 3.107 20 0 GGADHM CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825417121 609375997 /nfs/dbraw/zinc/37/59/97/609375997.db2.gz OPHGXTILUDZNMT-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825417121 609375999 /nfs/dbraw/zinc/37/59/99/609375999.db2.gz OPHGXTILUDZNMT-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM O=C(NCC1(O)CCCCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826433460 609384390 /nfs/dbraw/zinc/38/43/90/609384390.db2.gz GZZJGTYRTRTANL-UHFFFAOYSA-N -1 3 393.447 3.084 20 0 GGADHM O=C(NCC1(O)CCCCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826433460 609384392 /nfs/dbraw/zinc/38/43/92/609384392.db2.gz GZZJGTYRTRTANL-UHFFFAOYSA-N -1 3 393.447 3.084 20 0 GGADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825049748 609385621 /nfs/dbraw/zinc/38/56/21/609385621.db2.gz DPLCOORDKZBROT-LHSJRXKWSA-N -1 3 395.463 3.186 20 0 GGADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825049748 609385623 /nfs/dbraw/zinc/38/56/23/609385623.db2.gz DPLCOORDKZBROT-LHSJRXKWSA-N -1 3 395.463 3.186 20 0 GGADHM CC(C)(C)C[C@@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824085475 609389528 /nfs/dbraw/zinc/38/95/28/609389528.db2.gz DFESIUNOXGLUTG-AWEZNQCLSA-N -1 3 395.463 3.186 20 0 GGADHM CC(C)(C)C[C@@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824085475 609389531 /nfs/dbraw/zinc/38/95/31/609389531.db2.gz DFESIUNOXGLUTG-AWEZNQCLSA-N -1 3 395.463 3.186 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1nnn[n-]1 ZINC000824324224 609394373 /nfs/dbraw/zinc/39/43/73/609394373.db2.gz JKNPEBAFDIWAFH-RDTXWAMCSA-N -1 3 387.484 3.434 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000824324224 609394374 /nfs/dbraw/zinc/39/43/74/609394374.db2.gz JKNPEBAFDIWAFH-RDTXWAMCSA-N -1 3 387.484 3.434 20 0 GGADHM CC[C@@](C)(CCO)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825042922 609396525 /nfs/dbraw/zinc/39/65/25/609396525.db2.gz CDOJLMOMPUPBCC-FQEVSTJZSA-N -1 3 397.504 3.299 20 0 GGADHM CC[C@@](C)(CCO)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000825042922 609396526 /nfs/dbraw/zinc/39/65/26/609396526.db2.gz CDOJLMOMPUPBCC-FQEVSTJZSA-N -1 3 397.504 3.299 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825184613 609397114 /nfs/dbraw/zinc/39/71/14/609397114.db2.gz WTSXLDJWAKFTBF-TZMCWYRMSA-N -1 3 377.876 3.468 20 0 GGADHM CC[C@@H]1C[C@H](CC(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825184613 609397116 /nfs/dbraw/zinc/39/71/16/609397116.db2.gz WTSXLDJWAKFTBF-TZMCWYRMSA-N -1 3 377.876 3.468 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000826175379 609397325 /nfs/dbraw/zinc/39/73/25/609397325.db2.gz CHOSTTQWIOBASO-BTYIYWSLSA-N -1 3 399.495 3.073 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000826175379 609397328 /nfs/dbraw/zinc/39/73/28/609397328.db2.gz CHOSTTQWIOBASO-BTYIYWSLSA-N -1 3 399.495 3.073 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000826175382 609397748 /nfs/dbraw/zinc/39/77/48/609397748.db2.gz CHOSTTQWIOBASO-YCRPNKLZSA-N -1 3 399.495 3.073 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000826175382 609397750 /nfs/dbraw/zinc/39/77/50/609397750.db2.gz CHOSTTQWIOBASO-YCRPNKLZSA-N -1 3 399.495 3.073 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(OC2CCCC2)nc1 ZINC000826427783 609398300 /nfs/dbraw/zinc/39/83/00/609398300.db2.gz APRNRULGWMJWMY-UHFFFAOYSA-N -1 3 390.447 3.002 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(OC2CCCC2)nc1 ZINC000826427783 609398301 /nfs/dbraw/zinc/39/83/01/609398301.db2.gz APRNRULGWMJWMY-UHFFFAOYSA-N -1 3 390.447 3.002 20 0 GGADHM C[C@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1F ZINC000824953872 609398805 /nfs/dbraw/zinc/39/88/05/609398805.db2.gz HQRVMTGVYAJPOR-LIRRHRJNSA-N -1 3 395.438 3.266 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000824225573 609402824 /nfs/dbraw/zinc/40/28/24/609402824.db2.gz USEWPSDGQCBWRG-LJQANCHMSA-N -1 3 377.448 3.031 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000824225573 609402826 /nfs/dbraw/zinc/40/28/26/609402826.db2.gz USEWPSDGQCBWRG-LJQANCHMSA-N -1 3 377.448 3.031 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824448675 609402948 /nfs/dbraw/zinc/40/29/48/609402948.db2.gz JYTICJPITODJAT-VKJFTORMSA-N -1 3 388.468 3.019 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824448675 609402949 /nfs/dbraw/zinc/40/29/49/609402949.db2.gz JYTICJPITODJAT-VKJFTORMSA-N -1 3 388.468 3.019 20 0 GGADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825909115 609403575 /nfs/dbraw/zinc/40/35/75/609403575.db2.gz RYNKGRIYYWBSDY-MGPUTAFESA-N -1 3 391.475 3.157 20 0 GGADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825909115 609403576 /nfs/dbraw/zinc/40/35/76/609403576.db2.gz RYNKGRIYYWBSDY-MGPUTAFESA-N -1 3 391.475 3.157 20 0 GGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)cc1C)[C@H]2C ZINC000826212256 609408478 /nfs/dbraw/zinc/40/84/78/609408478.db2.gz LDGMRHTWKQSGBZ-KGLIPLIRSA-N -1 3 377.448 3.332 20 0 GGADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)cc1C)[C@H]2C ZINC000826212256 609408479 /nfs/dbraw/zinc/40/84/79/609408479.db2.gz LDGMRHTWKQSGBZ-KGLIPLIRSA-N -1 3 377.448 3.332 20 0 GGADHM FC(F)(F)c1ccccc1[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000826369019 609410723 /nfs/dbraw/zinc/41/07/23/609410723.db2.gz JMVLCOXQTCSZBD-KRWDZBQOSA-N -1 3 389.381 3.459 20 0 GGADHM FC(F)(F)c1ccccc1[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000826369019 609410725 /nfs/dbraw/zinc/41/07/25/609410725.db2.gz JMVLCOXQTCSZBD-KRWDZBQOSA-N -1 3 389.381 3.459 20 0 GGADHM Cn1nc(C2CCCC2)cc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826365938 609410986 /nfs/dbraw/zinc/41/09/86/609410986.db2.gz LBKSJZINOVEVEC-UHFFFAOYSA-N -1 3 397.508 3.130 20 0 GGADHM Cn1nc(C2CCCC2)cc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826365938 609410987 /nfs/dbraw/zinc/41/09/87/609410987.db2.gz LBKSJZINOVEVEC-UHFFFAOYSA-N -1 3 397.508 3.130 20 0 GGADHM CCOCc1cccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000825603775 609414331 /nfs/dbraw/zinc/41/43/31/609414331.db2.gz BVPMOUKDLHWKBI-LJQANCHMSA-N -1 3 392.463 3.011 20 0 GGADHM CCOCc1cccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000825603775 609414332 /nfs/dbraw/zinc/41/43/32/609414332.db2.gz BVPMOUKDLHWKBI-LJQANCHMSA-N -1 3 392.463 3.011 20 0 GGADHM Cc1cc2cc(N[C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)ccc2[nH]1 ZINC000826272887 609415071 /nfs/dbraw/zinc/41/50/71/609415071.db2.gz GDUCFPRRDLHJBP-LJQANCHMSA-N -1 3 387.447 3.264 20 0 GGADHM Cc1cc2cc(N[C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)ccc2[nH]1 ZINC000826272887 609415073 /nfs/dbraw/zinc/41/50/73/609415073.db2.gz GDUCFPRRDLHJBP-LJQANCHMSA-N -1 3 387.447 3.264 20 0 GGADHM COc1ccccc1S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826221191 609419288 /nfs/dbraw/zinc/41/92/88/609419288.db2.gz SYPCUUBZUVOOPW-QGZVFWFLSA-N -1 3 381.461 3.163 20 0 GGADHM COc1ccccc1S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826221191 609419290 /nfs/dbraw/zinc/41/92/90/609419290.db2.gz SYPCUUBZUVOOPW-QGZVFWFLSA-N -1 3 381.461 3.163 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC(F)(F)F)nc1 ZINC000824019824 609421362 /nfs/dbraw/zinc/42/13/62/609421362.db2.gz PLUIXFBOJWWQOH-UHFFFAOYSA-N -1 3 392.341 3.018 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(OCC(F)(F)F)nc1 ZINC000824019824 609421364 /nfs/dbraw/zinc/42/13/64/609421364.db2.gz PLUIXFBOJWWQOH-UHFFFAOYSA-N -1 3 392.341 3.018 20 0 GGADHM Cc1nc(C[C@H]2CCCN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)C2)no1 ZINC000826324877 609426366 /nfs/dbraw/zinc/42/63/66/609426366.db2.gz HTFQINJMMFHFSN-LLVKDONJSA-N -1 3 393.373 3.036 20 0 GGADHM Cc1nc(C[C@H]2CCCN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)C2)no1 ZINC000826324877 609426368 /nfs/dbraw/zinc/42/63/68/609426368.db2.gz HTFQINJMMFHFSN-LLVKDONJSA-N -1 3 393.373 3.036 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000824507385 609431746 /nfs/dbraw/zinc/43/17/46/609431746.db2.gz XCEJDTRCTPULTK-NWDGAFQWSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000824507385 609431748 /nfs/dbraw/zinc/43/17/48/609431748.db2.gz XCEJDTRCTPULTK-NWDGAFQWSA-N -1 3 392.891 3.260 20 0 GGADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCOCC1 ZINC000825164507 609433281 /nfs/dbraw/zinc/43/32/81/609433281.db2.gz BPWUIGMRPHHOKQ-UHFFFAOYSA-N -1 3 394.435 3.199 20 0 GGADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCOCC1 ZINC000825164507 609433284 /nfs/dbraw/zinc/43/32/84/609433284.db2.gz BPWUIGMRPHHOKQ-UHFFFAOYSA-N -1 3 394.435 3.199 20 0 GGADHM COCc1cc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)ncn1 ZINC000826164239 609436867 /nfs/dbraw/zinc/43/68/67/609436867.db2.gz KLFRBAQYOKEIMB-UHFFFAOYSA-N -1 3 376.376 3.388 20 0 GGADHM COCc1cc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)ncn1 ZINC000826164239 609436870 /nfs/dbraw/zinc/43/68/70/609436870.db2.gz KLFRBAQYOKEIMB-UHFFFAOYSA-N -1 3 376.376 3.388 20 0 GGADHM CC(C)Nc1cccc(F)c1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824304634 609439081 /nfs/dbraw/zinc/43/90/81/609439081.db2.gz DRBGLZZIZMKIDW-KRWDZBQOSA-N -1 3 395.442 3.044 20 0 GGADHM CC(C)Nc1cccc(F)c1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824304634 609439082 /nfs/dbraw/zinc/43/90/82/609439082.db2.gz DRBGLZZIZMKIDW-KRWDZBQOSA-N -1 3 395.442 3.044 20 0 GGADHM CC(C)(C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccnc1 ZINC000824064743 609440925 /nfs/dbraw/zinc/44/09/25/609440925.db2.gz KZGKKYCYLCGQRB-UHFFFAOYSA-N -1 3 391.460 3.302 20 0 GGADHM CC(C)(C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccnc1 ZINC000824064743 609440928 /nfs/dbraw/zinc/44/09/28/609440928.db2.gz KZGKKYCYLCGQRB-UHFFFAOYSA-N -1 3 391.460 3.302 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)n1 ZINC000826321207 609441751 /nfs/dbraw/zinc/44/17/51/609441751.db2.gz VHRUAHNAILDFQZ-UHFFFAOYSA-N -1 3 383.462 3.363 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)n1 ZINC000826321207 609441754 /nfs/dbraw/zinc/44/17/54/609441754.db2.gz VHRUAHNAILDFQZ-UHFFFAOYSA-N -1 3 383.462 3.363 20 0 GGADHM CCOCCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825599716 609443561 /nfs/dbraw/zinc/44/35/61/609443561.db2.gz QLGNWZRMTCKCOU-CQSZACIVSA-N -1 3 396.520 3.095 20 0 GGADHM CCOCCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825599716 609443563 /nfs/dbraw/zinc/44/35/63/609443563.db2.gz QLGNWZRMTCKCOU-CQSZACIVSA-N -1 3 396.520 3.095 20 0 GGADHM Cn1cc(CNc2cc(F)c(F)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361565 609444132 /nfs/dbraw/zinc/44/41/32/609444132.db2.gz CRBQAKBFZSWZPR-UHFFFAOYSA-N -1 3 385.353 3.297 20 0 GGADHM Cn1cc(CNc2cc(F)c(F)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361565 609444134 /nfs/dbraw/zinc/44/41/34/609444134.db2.gz CRBQAKBFZSWZPR-UHFFFAOYSA-N -1 3 385.353 3.297 20 0 GGADHM C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824533203 609450163 /nfs/dbraw/zinc/45/01/63/609450163.db2.gz ZTPYRGONYHSJTF-BTYIYWSLSA-N -1 3 398.470 3.411 20 0 GGADHM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454769 609452882 /nfs/dbraw/zinc/45/28/82/609452882.db2.gz KKARHOGOJVQCSS-UHFFFAOYSA-N -1 3 391.460 3.071 20 0 GGADHM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454769 609452884 /nfs/dbraw/zinc/45/28/84/609452884.db2.gz KKARHOGOJVQCSS-UHFFFAOYSA-N -1 3 391.460 3.071 20 0 GGADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826315662 609456984 /nfs/dbraw/zinc/45/69/84/609456984.db2.gz PKHZAIPIGKPOSQ-UHFFFAOYSA-N -1 3 394.416 3.036 20 0 GGADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826315662 609456986 /nfs/dbraw/zinc/45/69/86/609456986.db2.gz PKHZAIPIGKPOSQ-UHFFFAOYSA-N -1 3 394.416 3.036 20 0 GGADHM Clc1ccc(N2CC[C@H](CNc3nc4ccccn4c3-c3nnn[n-]3)C2)cc1 ZINC000826352342 609466636 /nfs/dbraw/zinc/46/66/36/609466636.db2.gz XOZZETXFOSJICL-CYBMUJFWSA-N -1 3 394.870 3.106 20 0 GGADHM Clc1ccc(N2CC[C@H](CNc3nc4ccccn4c3-c3nn[n-]n3)C2)cc1 ZINC000826352342 609466637 /nfs/dbraw/zinc/46/66/37/609466637.db2.gz XOZZETXFOSJICL-CYBMUJFWSA-N -1 3 394.870 3.106 20 0 GGADHM O=C(Nc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1)c1ccco1 ZINC000826454987 609466994 /nfs/dbraw/zinc/46/69/94/609466994.db2.gz UOWIRPCCGJUXOO-UHFFFAOYSA-N -1 3 391.387 3.170 20 0 GGADHM O=C(Nc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1)c1ccco1 ZINC000826454987 609466995 /nfs/dbraw/zinc/46/69/95/609466995.db2.gz UOWIRPCCGJUXOO-UHFFFAOYSA-N -1 3 391.387 3.170 20 0 GGADHM Brc1cc(CNc2cccc(-c3nnn[n-]3)c2)cc2c1OCCO2 ZINC000378917385 609473932 /nfs/dbraw/zinc/47/39/32/609473932.db2.gz NAJLGUMCPXWWKI-UHFFFAOYSA-N -1 3 388.225 3.013 20 0 GGADHM Brc1cc(CNc2cccc(-c3nn[n-]n3)c2)cc2c1OCCO2 ZINC000378917385 609473934 /nfs/dbraw/zinc/47/39/34/609473934.db2.gz NAJLGUMCPXWWKI-UHFFFAOYSA-N -1 3 388.225 3.013 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1c(C(C)C)nc2sc(C)nn12 ZINC000825626113 609475585 /nfs/dbraw/zinc/47/55/85/609475585.db2.gz IWQJWKCUCXXOPF-UHFFFAOYSA-N -1 3 398.496 3.414 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1c(C(C)C)nc2sc(C)nn12 ZINC000825626113 609475587 /nfs/dbraw/zinc/47/55/87/609475587.db2.gz IWQJWKCUCXXOPF-UHFFFAOYSA-N -1 3 398.496 3.414 20 0 GGADHM O=C1CCCN1c1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826480896 609480223 /nfs/dbraw/zinc/48/02/23/609480223.db2.gz WPZRYNLRHJISFE-UHFFFAOYSA-N -1 3 386.818 3.398 20 0 GGADHM O=C1CCCN1c1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826480896 609480225 /nfs/dbraw/zinc/48/02/25/609480225.db2.gz WPZRYNLRHJISFE-UHFFFAOYSA-N -1 3 386.818 3.398 20 0 GGADHM COc1sc(CNc2cc(-c3nnn[n-]3)ccc2OC)cc1Br ZINC000826186056 609481255 /nfs/dbraw/zinc/48/12/55/609481255.db2.gz BXKRBWUVEQFOSA-UHFFFAOYSA-N -1 3 396.270 3.320 20 0 GGADHM COc1sc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc1Br ZINC000826186056 609481257 /nfs/dbraw/zinc/48/12/57/609481257.db2.gz BXKRBWUVEQFOSA-UHFFFAOYSA-N -1 3 396.270 3.320 20 0 GGADHM Clc1cc(NCc2cc[nH]n2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350811 609484379 /nfs/dbraw/zinc/48/43/79/609484379.db2.gz MFFUOPKBYZFBIY-UHFFFAOYSA-N -1 3 381.827 3.434 20 0 GGADHM c1nc2cnccn2c1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826516751 609485475 /nfs/dbraw/zinc/48/54/75/609485475.db2.gz ZPBOASJCGOPVRK-UHFFFAOYSA-N -1 3 398.430 3.101 20 0 GGADHM c1nc2cnccn2c1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826516751 609485477 /nfs/dbraw/zinc/48/54/77/609485477.db2.gz ZPBOASJCGOPVRK-UHFFFAOYSA-N -1 3 398.430 3.101 20 0 GGADHM COCc1noc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000826165594 609487455 /nfs/dbraw/zinc/48/74/55/609487455.db2.gz BNFWJSJFKBETHZ-LLVKDONJSA-N -1 3 395.448 3.311 20 0 GGADHM COCc1noc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000826165594 609487458 /nfs/dbraw/zinc/48/74/58/609487458.db2.gz BNFWJSJFKBETHZ-LLVKDONJSA-N -1 3 395.448 3.311 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(C)c2)cc1-c1nnn[n-]1 ZINC000825553401 609488355 /nfs/dbraw/zinc/48/83/55/609488355.db2.gz PQWHFMYTZAGVNJ-UHFFFAOYSA-N -1 3 382.424 3.364 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(C)c2)cc1-c1nn[n-]n1 ZINC000825553401 609488357 /nfs/dbraw/zinc/48/83/57/609488357.db2.gz PQWHFMYTZAGVNJ-UHFFFAOYSA-N -1 3 382.424 3.364 20 0 GGADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1ccccc1-c1nnn[n-]1 ZINC000826389471 609489381 /nfs/dbraw/zinc/48/93/81/609489381.db2.gz ZDTHTSZYRAMHOI-AWEZNQCLSA-N -1 3 393.394 3.074 20 0 GGADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1ccccc1-c1nn[n-]n1 ZINC000826389471 609489382 /nfs/dbraw/zinc/48/93/82/609489382.db2.gz ZDTHTSZYRAMHOI-AWEZNQCLSA-N -1 3 393.394 3.074 20 0 GGADHM COCc1noc([C@@H](C)Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826165735 609490358 /nfs/dbraw/zinc/49/03/58/609490358.db2.gz IEJBMSMLMBATJZ-SSDOTTSWSA-N -1 3 386.359 3.268 20 0 GGADHM COCc1noc([C@@H](C)Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826165735 609490360 /nfs/dbraw/zinc/49/03/60/609490360.db2.gz IEJBMSMLMBATJZ-SSDOTTSWSA-N -1 3 386.359 3.268 20 0 GGADHM Cc1ccc(CCCSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826287296 609490668 /nfs/dbraw/zinc/49/06/68/609490668.db2.gz JRYABMZBQDMUKN-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM Cc1ccc(CCCSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826287296 609490670 /nfs/dbraw/zinc/49/06/70/609490670.db2.gz JRYABMZBQDMUKN-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)COc1ccccc1C(F)(F)F ZINC000826278674 609492439 /nfs/dbraw/zinc/49/24/39/609492439.db2.gz NUTFLVFBBSZLNR-ZDUSSCGKSA-N -1 3 394.353 3.013 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)COc1ccccc1C(F)(F)F ZINC000826278674 609492441 /nfs/dbraw/zinc/49/24/41/609492441.db2.gz NUTFLVFBBSZLNR-ZDUSSCGKSA-N -1 3 394.353 3.013 20 0 GGADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc2n[nH]cc21 ZINC000826269998 609495699 /nfs/dbraw/zinc/49/56/99/609495699.db2.gz GTGLYEICAKAMCA-UHFFFAOYSA-N -1 3 388.435 3.248 20 0 GGADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc2n[nH]cc21 ZINC000826269998 609495701 /nfs/dbraw/zinc/49/57/01/609495701.db2.gz GTGLYEICAKAMCA-UHFFFAOYSA-N -1 3 388.435 3.248 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000826454456 609500391 /nfs/dbraw/zinc/50/03/91/609500391.db2.gz XGJUYPLZXRRRPR-UHFFFAOYSA-N -1 3 388.790 3.095 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000826454456 609500392 /nfs/dbraw/zinc/50/03/92/609500392.db2.gz XGJUYPLZXRRRPR-UHFFFAOYSA-N -1 3 388.790 3.095 20 0 GGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)no1 ZINC000824358425 609504110 /nfs/dbraw/zinc/50/41/10/609504110.db2.gz JONSACSAPNKOGM-INIZCTEOSA-N -1 3 395.467 3.060 20 0 GGADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)no1 ZINC000824358425 609504111 /nfs/dbraw/zinc/50/41/11/609504111.db2.gz JONSACSAPNKOGM-INIZCTEOSA-N -1 3 395.467 3.060 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260426 609504928 /nfs/dbraw/zinc/50/49/28/609504928.db2.gz NQQGFNWHMWDNBO-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260426 609504930 /nfs/dbraw/zinc/50/49/30/609504930.db2.gz NQQGFNWHMWDNBO-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CC(C)CCN(CCC(C)C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824249683 609505245 /nfs/dbraw/zinc/50/52/45/609505245.db2.gz RNPHHURYZPIYFH-UHFFFAOYSA-N -1 3 379.530 3.091 20 0 GGADHM CC(C)CCN(CCC(C)C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824249683 609505246 /nfs/dbraw/zinc/50/52/46/609505246.db2.gz RNPHHURYZPIYFH-UHFFFAOYSA-N -1 3 379.530 3.091 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(Cc2cccc(F)c2)n1 ZINC000503065432 609505562 /nfs/dbraw/zinc/50/55/62/609505562.db2.gz ZIRPUHLSEBYXEZ-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2cccc(F)c2)n1 ZINC000503065432 609505563 /nfs/dbraw/zinc/50/55/63/609505563.db2.gz ZIRPUHLSEBYXEZ-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000826111876 609506110 /nfs/dbraw/zinc/50/61/10/609506110.db2.gz NSQBINVZRSWCOA-QFYYESIMSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000826111876 609506111 /nfs/dbraw/zinc/50/61/11/609506111.db2.gz NSQBINVZRSWCOA-QFYYESIMSA-N -1 3 389.818 3.224 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000826454986 609506804 /nfs/dbraw/zinc/50/68/04/609506804.db2.gz UORYOTMZDSOLCW-UHFFFAOYSA-N -1 3 388.790 3.095 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000826454986 609506805 /nfs/dbraw/zinc/50/68/05/609506805.db2.gz UORYOTMZDSOLCW-UHFFFAOYSA-N -1 3 388.790 3.095 20 0 GGADHM Cc1cc(C(=O)Nc2cc(F)ccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826289734 609507090 /nfs/dbraw/zinc/50/70/90/609507090.db2.gz LAEZDKBQXFRJLA-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(C(=O)Nc2cc(F)ccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826289734 609507092 /nfs/dbraw/zinc/50/70/92/609507092.db2.gz LAEZDKBQXFRJLA-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258915 609507264 /nfs/dbraw/zinc/50/72/64/609507264.db2.gz BCGPKQXQHIAIMZ-LJQANCHMSA-N -1 3 399.458 3.168 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258915 609507266 /nfs/dbraw/zinc/50/72/66/609507266.db2.gz BCGPKQXQHIAIMZ-LJQANCHMSA-N -1 3 399.458 3.168 20 0 GGADHM Cc1ccncc1C=CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826315520 609510928 /nfs/dbraw/zinc/51/09/28/609510928.db2.gz LUFMGUVGCUKSBT-AATRIKPKSA-N -1 3 389.444 3.346 20 0 GGADHM Cc1ccncc1C=CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826315520 609510930 /nfs/dbraw/zinc/51/09/30/609510930.db2.gz LUFMGUVGCUKSBT-AATRIKPKSA-N -1 3 389.444 3.346 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccc(C)cc1 ZINC000825379134 609519822 /nfs/dbraw/zinc/51/98/22/609519822.db2.gz AXISXWLTUAIUFB-UHFFFAOYSA-N -1 3 387.447 3.336 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccc(C)cc1 ZINC000825379134 609519823 /nfs/dbraw/zinc/51/98/23/609519823.db2.gz AXISXWLTUAIUFB-UHFFFAOYSA-N -1 3 387.447 3.336 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1F ZINC000825379505 609519858 /nfs/dbraw/zinc/51/98/58/609519858.db2.gz GKYPPNIPUKGWNE-UHFFFAOYSA-N -1 3 391.410 3.167 20 0 GGADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1F ZINC000825379505 609519860 /nfs/dbraw/zinc/51/98/60/609519860.db2.gz GKYPPNIPUKGWNE-UHFFFAOYSA-N -1 3 391.410 3.167 20 0 GGADHM CC[C@H]1C[C@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825181688 609525253 /nfs/dbraw/zinc/52/52/53/609525253.db2.gz FREWHHOKGGKJOK-CABCVRRESA-N -1 3 381.436 3.198 20 0 GGADHM CC[C@H]1C[C@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825181688 609525255 /nfs/dbraw/zinc/52/52/55/609525255.db2.gz FREWHHOKGGKJOK-CABCVRRESA-N -1 3 381.436 3.198 20 0 GGADHM Cc1c(Cl)cnc(N2CCC([C@@H](O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826237129 609526345 /nfs/dbraw/zinc/52/63/45/609526345.db2.gz OXHOEOCFMCWJMA-KRWDZBQOSA-N -1 3 384.871 3.174 20 0 GGADHM Cc1c(Cl)cnc(N2CCC([C@@H](O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826237129 609526346 /nfs/dbraw/zinc/52/63/46/609526346.db2.gz OXHOEOCFMCWJMA-KRWDZBQOSA-N -1 3 384.871 3.174 20 0 GGADHM CCCCCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)C ZINC000825271982 609527648 /nfs/dbraw/zinc/52/76/48/609527648.db2.gz SUPPBRPWCXNCBU-UHFFFAOYSA-N -1 3 381.484 3.402 20 0 GGADHM CCCCCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)C ZINC000825271982 609527649 /nfs/dbraw/zinc/52/76/49/609527649.db2.gz SUPPBRPWCXNCBU-UHFFFAOYSA-N -1 3 381.484 3.402 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000825625792 609534992 /nfs/dbraw/zinc/53/49/92/609534992.db2.gz DSVYXOUWYCDZEL-QGZVFWFLSA-N -1 3 393.447 3.412 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000825625792 609534995 /nfs/dbraw/zinc/53/49/95/609534995.db2.gz DSVYXOUWYCDZEL-QGZVFWFLSA-N -1 3 393.447 3.412 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1-c1nnn[n-]1 ZINC000826238240 609535959 /nfs/dbraw/zinc/53/59/59/609535959.db2.gz AKDQTWQRCOIJOR-SNVBAGLBSA-N -1 3 383.843 3.281 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1-c1nn[n-]n1 ZINC000826238240 609535961 /nfs/dbraw/zinc/53/59/61/609535961.db2.gz AKDQTWQRCOIJOR-SNVBAGLBSA-N -1 3 383.843 3.281 20 0 GGADHM COC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826152161 609556062 /nfs/dbraw/zinc/55/60/62/609556062.db2.gz SCWLSAWJKBFUPD-ZDUSSCGKSA-N -1 3 378.358 3.389 20 0 GGADHM COC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000826152161 609556064 /nfs/dbraw/zinc/55/60/64/609556064.db2.gz SCWLSAWJKBFUPD-ZDUSSCGKSA-N -1 3 378.358 3.389 20 0 GGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826237172 609559345 /nfs/dbraw/zinc/55/93/45/609559345.db2.gz QTTDGTATGXXMOL-BMIGLBTASA-N -1 3 388.834 3.329 20 0 GGADHM Cc1c(Cl)cnc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826237172 609559347 /nfs/dbraw/zinc/55/93/47/609559347.db2.gz QTTDGTATGXXMOL-BMIGLBTASA-N -1 3 388.834 3.329 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826237757 609564109 /nfs/dbraw/zinc/56/41/09/609564109.db2.gz KOMXLCVFRBCUIU-GOEBONIOSA-N -1 3 384.871 3.316 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826237757 609564111 /nfs/dbraw/zinc/56/41/11/609564111.db2.gz KOMXLCVFRBCUIU-GOEBONIOSA-N -1 3 384.871 3.316 20 0 GGADHM Cc1c(Cl)cnc(N2CC(OCCCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826236731 609569037 /nfs/dbraw/zinc/56/90/37/609569037.db2.gz ARFYTHGYJPNPJF-UHFFFAOYSA-N -1 3 384.871 3.062 20 0 GGADHM Cc1c(Cl)cnc(N2CC(OCCCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826236731 609569040 /nfs/dbraw/zinc/56/90/40/609569040.db2.gz ARFYTHGYJPNPJF-UHFFFAOYSA-N -1 3 384.871 3.062 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](c2nnc3ccccn32)C(C)C)c1-c1nnn[n-]1 ZINC000826238743 609575422 /nfs/dbraw/zinc/57/54/22/609575422.db2.gz OEXXCDJEPVXNKC-AWEZNQCLSA-N -1 3 383.847 3.075 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](c2nnc3ccccn32)C(C)C)c1-c1nn[n-]n1 ZINC000826238743 609575423 /nfs/dbraw/zinc/57/54/23/609575423.db2.gz OEXXCDJEPVXNKC-AWEZNQCLSA-N -1 3 383.847 3.075 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)c2noc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826238514 609577038 /nfs/dbraw/zinc/57/70/38/609577038.db2.gz ILMWEEFADYGICE-SNVBAGLBSA-N -1 3 382.815 3.447 20 0 GGADHM Cc1c(Cl)cnc(N[C@H](C)c2noc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826238514 609577040 /nfs/dbraw/zinc/57/70/40/609577040.db2.gz ILMWEEFADYGICE-SNVBAGLBSA-N -1 3 382.815 3.447 20 0 GGADHM Cc1ccnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1-c1nnn[n-]1 ZINC000826310293 609578807 /nfs/dbraw/zinc/57/88/07/609578807.db2.gz RALXVTQJRDULFZ-ZDUSSCGKSA-N -1 3 381.509 3.289 20 0 GGADHM Cc1ccnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1-c1nn[n-]n1 ZINC000826310293 609578808 /nfs/dbraw/zinc/57/88/08/609578808.db2.gz RALXVTQJRDULFZ-ZDUSSCGKSA-N -1 3 381.509 3.289 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000825532898 609579129 /nfs/dbraw/zinc/57/91/29/609579129.db2.gz ZMFQHMZQHUOPIF-ITGUQSILSA-N -1 3 386.456 3.446 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000825532898 609579131 /nfs/dbraw/zinc/57/91/31/609579131.db2.gz ZMFQHMZQHUOPIF-ITGUQSILSA-N -1 3 386.456 3.446 20 0 GGADHM Cc1c(Cl)cnc(NCCOc2cccc(C(F)(F)F)n2)c1-c1nnn[n-]1 ZINC000826240152 609582876 /nfs/dbraw/zinc/58/28/76/609582876.db2.gz FYILFPHTDGOWBN-UHFFFAOYSA-N -1 3 399.764 3.128 20 0 GGADHM Cc1c(Cl)cnc(NCCOc2cccc(C(F)(F)F)n2)c1-c1nn[n-]n1 ZINC000826240152 609582877 /nfs/dbraw/zinc/58/28/77/609582877.db2.gz FYILFPHTDGOWBN-UHFFFAOYSA-N -1 3 399.764 3.128 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCC1 ZINC000824108430 609594027 /nfs/dbraw/zinc/59/40/27/609594027.db2.gz FXBDBFKMUWNTHR-UHFFFAOYSA-N -1 3 395.467 3.274 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCC1 ZINC000824108430 609594030 /nfs/dbraw/zinc/59/40/30/609594030.db2.gz FXBDBFKMUWNTHR-UHFFFAOYSA-N -1 3 395.467 3.274 20 0 GGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825039515 609599355 /nfs/dbraw/zinc/59/93/55/609599355.db2.gz SMMFIIBCMJXHJW-SFHVURJKSA-N -1 3 393.495 3.402 20 0 GGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825039515 609599358 /nfs/dbraw/zinc/59/93/58/609599358.db2.gz SMMFIIBCMJXHJW-SFHVURJKSA-N -1 3 393.495 3.402 20 0 GGADHM CCC[C@H]1C[C@H](C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825253126 609599632 /nfs/dbraw/zinc/59/96/32/609599632.db2.gz LYSRZGJQFHLXHS-OCCSQVGLSA-N -1 3 377.876 3.468 20 0 GGADHM CCC[C@H]1C[C@H](C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825253126 609599634 /nfs/dbraw/zinc/59/96/34/609599634.db2.gz LYSRZGJQFHLXHS-OCCSQVGLSA-N -1 3 377.876 3.468 20 0 GGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824456976 609600722 /nfs/dbraw/zinc/60/07/22/609600722.db2.gz BTNLCSYCZHDHQB-NSHDSACASA-N -1 3 375.354 3.247 20 0 GGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824456976 609600723 /nfs/dbraw/zinc/60/07/23/609600723.db2.gz BTNLCSYCZHDHQB-NSHDSACASA-N -1 3 375.354 3.247 20 0 GGADHM C[C@](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)(c1ccccc1)C(F)(F)F ZINC000824506838 609604721 /nfs/dbraw/zinc/60/47/21/609604721.db2.gz RATFCKOZOZXSAC-INIZCTEOSA-N -1 3 397.307 3.352 20 0 GGADHM C[C@](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)(c1ccccc1)C(F)(F)F ZINC000824506838 609604722 /nfs/dbraw/zinc/60/47/22/609604722.db2.gz RATFCKOZOZXSAC-INIZCTEOSA-N -1 3 397.307 3.352 20 0 GGADHM C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825012072 609604781 /nfs/dbraw/zinc/60/47/81/609604781.db2.gz CYYDEMOMPGOAGZ-XCLFUZPHSA-N -1 3 395.488 3.315 20 0 GGADHM C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000825012072 609604782 /nfs/dbraw/zinc/60/47/82/609604782.db2.gz CYYDEMOMPGOAGZ-XCLFUZPHSA-N -1 3 395.488 3.315 20 0 GGADHM CCCc1csc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)n1 ZINC000825352724 609605056 /nfs/dbraw/zinc/60/50/56/609605056.db2.gz PPCWEVTWFRHJCK-UHFFFAOYSA-N -1 3 394.464 3.022 20 0 GGADHM CCCc1csc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)n1 ZINC000825352724 609605058 /nfs/dbraw/zinc/60/50/58/609605058.db2.gz PPCWEVTWFRHJCK-UHFFFAOYSA-N -1 3 394.464 3.022 20 0 GGADHM COc1ccc([C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)cc1 ZINC000826189588 609606207 /nfs/dbraw/zinc/60/62/07/609606207.db2.gz YXDRZUFYOXKWAT-CQSZACIVSA-N -1 3 392.341 3.300 20 0 GGADHM COc1ccc([C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)cc1 ZINC000826189588 609606209 /nfs/dbraw/zinc/60/62/09/609606209.db2.gz YXDRZUFYOXKWAT-CQSZACIVSA-N -1 3 392.341 3.300 20 0 GGADHM Cc1ccc(Br)cc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826281036 609608270 /nfs/dbraw/zinc/60/82/70/609608270.db2.gz AKOYOKWCSITXBO-UHFFFAOYSA-N -1 3 387.237 3.224 20 0 GGADHM Cc1ccc(Br)cc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826281036 609608273 /nfs/dbraw/zinc/60/82/73/609608273.db2.gz AKOYOKWCSITXBO-UHFFFAOYSA-N -1 3 387.237 3.224 20 0 GGADHM Cc1nc(SCC(=O)N(C)C[C@@H]2CC=CCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327298 609608768 /nfs/dbraw/zinc/60/87/68/609608768.db2.gz BGKVRXPWZHGMDW-OAHLLOKOSA-N -1 3 386.525 3.094 20 0 GGADHM Cc1nc(SCC(=O)N(C)C[C@@H]2CC=CCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327298 609608771 /nfs/dbraw/zinc/60/87/71/609608771.db2.gz BGKVRXPWZHGMDW-OAHLLOKOSA-N -1 3 386.525 3.094 20 0 GGADHM Cc1cccc([C@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826297588 609609378 /nfs/dbraw/zinc/60/93/78/609609378.db2.gz MDIOSQBLQNXJPZ-BEFAXECRSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1cccc([C@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826297588 609609380 /nfs/dbraw/zinc/60/93/80/609609380.db2.gz MDIOSQBLQNXJPZ-BEFAXECRSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1cccc([C@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826297591 609609400 /nfs/dbraw/zinc/60/94/00/609609400.db2.gz MDIOSQBLQNXJPZ-KXBFYZLASA-N -1 3 376.464 3.435 20 0 GGADHM Cc1cccc([C@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826297591 609609401 /nfs/dbraw/zinc/60/94/01/609609401.db2.gz MDIOSQBLQNXJPZ-KXBFYZLASA-N -1 3 376.464 3.435 20 0 GGADHM CCOc1ccc(OCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000825643064 609615768 /nfs/dbraw/zinc/61/57/68/609615768.db2.gz HJFHRSQWDWHPAR-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM CCOc1ccc(OCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000825643064 609615769 /nfs/dbraw/zinc/61/57/69/609615769.db2.gz HJFHRSQWDWHPAR-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnn(Cc2ccccc2)c1 ZINC000826465308 609616247 /nfs/dbraw/zinc/61/62/47/609616247.db2.gz HPIXGJVOHXEPEX-UHFFFAOYSA-N -1 3 394.822 3.122 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnn(Cc2ccccc2)c1 ZINC000826465308 609616249 /nfs/dbraw/zinc/61/62/49/609616249.db2.gz HPIXGJVOHXEPEX-UHFFFAOYSA-N -1 3 394.822 3.122 20 0 GGADHM O=C(C=Cc1ccc2c(c1)OCO2)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826400623 609617687 /nfs/dbraw/zinc/61/76/87/609617687.db2.gz CRBIZCQZXVSBPZ-QHHAFSJGSA-N -1 3 384.779 3.005 20 0 GGADHM O=C(C=Cc1ccc2c(c1)OCO2)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826400623 609617688 /nfs/dbraw/zinc/61/76/88/609617688.db2.gz CRBIZCQZXVSBPZ-QHHAFSJGSA-N -1 3 384.779 3.005 20 0 GGADHM CN(C)[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(Cl)c1 ZINC000825849826 609622978 /nfs/dbraw/zinc/62/29/78/609622978.db2.gz NJLWOONKKGEWLD-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(Cl)c1 ZINC000825849826 609622979 /nfs/dbraw/zinc/62/29/79/609622979.db2.gz NJLWOONKKGEWLD-INIZCTEOSA-N -1 3 389.818 3.005 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826465014 609623052 /nfs/dbraw/zinc/62/30/52/609623052.db2.gz VJWCIXITVPZLHT-OTWHNJEPSA-N -1 3 376.416 3.002 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826465014 609623054 /nfs/dbraw/zinc/62/30/54/609623054.db2.gz VJWCIXITVPZLHT-OTWHNJEPSA-N -1 3 376.416 3.002 20 0 GGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824457405 609624886 /nfs/dbraw/zinc/62/48/86/609624886.db2.gz LKDFIDIPWYOTFA-SECBINFHSA-N -1 3 381.383 3.308 20 0 GGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824457405 609624887 /nfs/dbraw/zinc/62/48/87/609624887.db2.gz LKDFIDIPWYOTFA-SECBINFHSA-N -1 3 381.383 3.308 20 0 GGADHM C[C@@H]1CC(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C[C@@H](C)C1 ZINC000824875181 609640235 /nfs/dbraw/zinc/64/02/35/609640235.db2.gz JIAGKNMVWRJKNN-RYUDHWBXSA-N -1 3 382.424 3.032 20 0 GGADHM C[C@@H]1CC(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C[C@@H](C)C1 ZINC000824875181 609640236 /nfs/dbraw/zinc/64/02/36/609640236.db2.gz JIAGKNMVWRJKNN-RYUDHWBXSA-N -1 3 382.424 3.032 20 0 GGADHM C[C@H]1CC(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C[C@H](C)C1 ZINC000824875182 609640444 /nfs/dbraw/zinc/64/04/44/609640444.db2.gz JIAGKNMVWRJKNN-VXGBXAGGSA-N -1 3 382.424 3.032 20 0 GGADHM C[C@H]1CC(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C[C@H](C)C1 ZINC000824875182 609640445 /nfs/dbraw/zinc/64/04/45/609640445.db2.gz JIAGKNMVWRJKNN-VXGBXAGGSA-N -1 3 382.424 3.032 20 0 GGADHM CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050972 609641671 /nfs/dbraw/zinc/64/16/71/609641671.db2.gz MLHCQYNQWRYPDY-AXFHLTTASA-N -1 3 379.848 3.073 20 0 GGADHM CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050972 609641672 /nfs/dbraw/zinc/64/16/72/609641672.db2.gz MLHCQYNQWRYPDY-AXFHLTTASA-N -1 3 379.848 3.073 20 0 GGADHM CC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000053058567 1406278432 /nfs/dbraw/zinc/27/84/32/1406278432.db2.gz ZHTVJKZLIBSKRZ-ZDUSSCGKSA-N -1 3 379.457 3.359 20 0 GGADHM O=C([N-]NC(=O)c1ccnc(OCc2ccccc2)c1)c1ccc2ccccc2n1 ZINC000053057806 1406279132 /nfs/dbraw/zinc/27/91/32/1406279132.db2.gz OBFPZKGSQHRKIM-UHFFFAOYSA-N -1 3 398.422 3.284 20 0 GGADHM O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC000053207336 1406325034 /nfs/dbraw/zinc/32/50/34/1406325034.db2.gz AKAQYMABJAATIJ-UHFFFAOYSA-N -1 3 378.384 3.025 20 0 GGADHM CCN1CCN(Cc2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2)CC1 ZINC000053238406 1406341523 /nfs/dbraw/zinc/34/15/23/1406341523.db2.gz WZPZOBHSNPBQNI-UHFFFAOYSA-N -1 3 387.911 3.113 20 0 GGADHM Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)s2)cc1C ZINC000053483187 1406413565 /nfs/dbraw/zinc/41/35/65/1406413565.db2.gz HJZFCJAESJYTIE-UHFFFAOYSA-N -1 3 382.489 3.232 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000053686608 1406478891 /nfs/dbraw/zinc/47/88/91/1406478891.db2.gz ZPCWBIARYZHGJQ-JSGCOSHPSA-N -1 3 384.423 3.218 20 0 GGADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000053742791 1406499446 /nfs/dbraw/zinc/49/94/46/1406499446.db2.gz JDSSTLDUSLRPOV-MRXNPFEDSA-N -1 3 384.476 3.138 20 0 GGADHM O=C(CCCOc1cccc2ccccc21)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742661 1406498289 /nfs/dbraw/zinc/49/82/89/1406498289.db2.gz HEMAMHCXJVJXPY-UHFFFAOYSA-N -1 3 392.455 3.251 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742602 1406498412 /nfs/dbraw/zinc/49/84/12/1406498412.db2.gz LOBSQOAUUKFNMW-LLVKDONJSA-N -1 3 397.258 3.013 20 0 GGADHM O=C(NCCNC(=O)c1cccc(OCc2cccs2)c1)c1ccc([O-])cc1 ZINC000053742576 1406498447 /nfs/dbraw/zinc/49/84/47/1406498447.db2.gz XYMQCWZRDVYZOE-UHFFFAOYSA-N -1 3 396.468 3.193 20 0 GGADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742778 1406499288 /nfs/dbraw/zinc/49/92/88/1406499288.db2.gz PBWRNRADNPFKBT-OAHLLOKOSA-N -1 3 384.476 3.003 20 0 GGADHM COc1cccc(Oc2ccc(CNC(=O)c3cc4c(cc3[O-])OCO4)cn2)c1 ZINC000053995498 1406582173 /nfs/dbraw/zinc/58/21/73/1406582173.db2.gz ICFRIFQADKUNBC-UHFFFAOYSA-N -1 3 394.383 3.247 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(OCC)c2)cc1CO ZINC000054041019 1406600415 /nfs/dbraw/zinc/60/04/15/1406600415.db2.gz PWXRQWUCCPOMLO-UHFFFAOYSA-N -1 3 395.477 3.176 20 0 GGADHM Cc1nc(C)c(CC(=O)NCCSCc2cccc3ccccc32)c(=O)[n-]1 ZINC000054311570 1406687268 /nfs/dbraw/zinc/68/72/68/1406687268.db2.gz XHDNGOLMCXMTFF-UHFFFAOYSA-N -1 3 381.501 3.132 20 0 GGADHM CCc1cc2c(CN3CCNC(=O)C[C@H]3c3ccccc3)cc(=O)oc2cc1[O-] ZINC000054395619 1406720009 /nfs/dbraw/zinc/72/00/09/1406720009.db2.gz FYFXXCLVWWAKNO-IBGZPJMESA-N -1 3 392.455 3.124 20 0 GGADHM Cc1ccc(NC(=O)c2cnns2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000054471035 1406745154 /nfs/dbraw/zinc/74/51/54/1406745154.db2.gz WJMZSFNWKSFEAY-UHFFFAOYSA-N -1 3 392.437 3.039 20 0 GGADHM O=C(Nc1ncccc1[O-])C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000054642320 1406793304 /nfs/dbraw/zinc/79/33/04/1406793304.db2.gz VRPNPGBSCBSYHV-UHFFFAOYSA-N -1 3 393.365 3.297 20 0 GGADHM O=C(NCCSCc1cccc2ccccc21)NNC(=O)c1ccccc1[O-] ZINC000054814507 1406830662 /nfs/dbraw/zinc/83/06/62/1406830662.db2.gz MAQZNNVCUHRPDT-UHFFFAOYSA-N -1 3 395.484 3.423 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)nnn1-c1ccccc1 ZINC000054882803 1406842932 /nfs/dbraw/zinc/84/29/32/1406842932.db2.gz XOCPRIRLKJAOHN-UHFFFAOYSA-N -1 3 376.445 3.270 20 0 GGADHM Cc1ccc(C(=O)NNC(=S)Nc2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000054959469 1406860934 /nfs/dbraw/zinc/86/09/34/1406860934.db2.gz SBSMWHBDZPVYIP-UHFFFAOYSA-N -1 3 385.367 3.231 20 0 GGADHM CCCOc1ccc([C@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1OC ZINC000055007405 1406868940 /nfs/dbraw/zinc/86/89/40/1406868940.db2.gz MCMPXCIAELCOIE-RAOBZKRQSA-N -1 3 380.444 3.446 20 0 GGADHM CC[C@H](C)C(=O)Nc1cccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000055007571 1406868956 /nfs/dbraw/zinc/86/89/56/1406868956.db2.gz LKOKWUPFIGUOGX-QIQQCEGHSA-N -1 3 377.444 3.072 20 0 GGADHM O=C(NC1CCCC1)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000055010133 1406869733 /nfs/dbraw/zinc/86/97/33/1406869733.db2.gz XHJNHLOOHGASRV-UYRXBGFRSA-N -1 3 375.428 3.082 20 0 GGADHM O=C(c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1)N1CCCCCC1 ZINC000055010367 1406869870 /nfs/dbraw/zinc/86/98/70/1406869870.db2.gz NSPPNYNDNKVKEI-HKWRFOASSA-N -1 3 389.455 3.426 20 0 GGADHM CCOc1ccc(CCNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OCC ZINC000055109383 1406887090 /nfs/dbraw/zinc/88/70/90/1406887090.db2.gz ZBVMWPKPONBIOG-UHFFFAOYSA-N -1 3 386.448 3.121 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000055134506 1406891766 /nfs/dbraw/zinc/89/17/66/1406891766.db2.gz PAKCSCSWBDCZRP-UHFFFAOYSA-N -1 3 390.823 3.095 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000055184015 1406899660 /nfs/dbraw/zinc/89/96/60/1406899660.db2.gz IHYBETCNLMABLU-UHFFFAOYSA-N -1 3 382.338 3.222 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-][C@@H]3CCC[C@H](C(F)(F)F)C3)c(F)cc2N1 ZINC000055220966 1406906083 /nfs/dbraw/zinc/90/60/83/1406906083.db2.gz CNOBDLCXNDUSQY-WDEREUQCSA-N -1 3 394.390 3.110 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-][C@@H]3CCC[C@@H](C(F)(F)F)C3)c(F)cc2N1 ZINC000055220969 1406906461 /nfs/dbraw/zinc/90/64/61/1406906461.db2.gz CNOBDLCXNDUSQY-GHMZBOCLSA-N -1 3 394.390 3.110 20 0 GGADHM CCOc1cc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1OC(F)F ZINC000055287872 1406921102 /nfs/dbraw/zinc/92/11/02/1406921102.db2.gz UNLQYRMMGXXSBY-UHFFFAOYSA-N -1 3 394.374 3.281 20 0 GGADHM Cc1cc(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(C)[nH]1 ZINC000055291004 1406922095 /nfs/dbraw/zinc/92/20/95/1406922095.db2.gz OJTZYRZOOGRGNL-UHFFFAOYSA-N -1 3 379.445 3.441 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ccco1 ZINC000003410630 1398343938 /nfs/dbraw/zinc/34/39/38/1398343938.db2.gz DYRNIYSIUOFRDQ-UHFFFAOYSA-N -1 3 388.420 3.458 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cccc(OC)c3)c2)n1 ZINC000055408044 1406952079 /nfs/dbraw/zinc/95/20/79/1406952079.db2.gz BBYIJMYQWZWHIX-UHFFFAOYSA-N -1 3 379.416 3.025 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn4ccc(C)cc4n3)nc(=O)c2c1C ZINC000005165690 1398417616 /nfs/dbraw/zinc/41/76/16/1398417616.db2.gz AFVUXVKKMYDJCM-LLVKDONJSA-N -1 3 382.445 3.476 20 0 GGADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccccc1[O-] ZINC000005171998 1398418278 /nfs/dbraw/zinc/41/82/78/1398418278.db2.gz 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20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000055631664 1407030494 /nfs/dbraw/zinc/03/04/94/1407030494.db2.gz FBMDZXWSSHXMNS-GOSISDBHSA-N -1 3 377.462 3.444 20 0 GGADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)ccc1OC ZINC000055631742 1407030634 /nfs/dbraw/zinc/03/06/34/1407030634.db2.gz MGKYVYKASVVNIA-UHFFFAOYSA-N -1 3 395.477 3.228 20 0 GGADHM CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)c1 ZINC000022475102 1399467529 /nfs/dbraw/zinc/46/75/29/1399467529.db2.gz JGAUEOCMVGCVLD-AWEZNQCLSA-N -1 3 384.432 3.058 20 0 GGADHM O=C([N-]NC(=O)c1cncn1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000022663073 1399488423 /nfs/dbraw/zinc/48/84/23/1399488423.db2.gz GVULLHDQPBDJNR-UHFFFAOYSA-N -1 3 375.215 3.254 20 0 GGADHM COc1ccc(C(=O)[N-]NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(F)c1 ZINC000022906211 1399516121 /nfs/dbraw/zinc/51/61/21/1399516121.db2.gz CKEORVRDKCUSPN-CYBMUJFWSA-N -1 3 382.391 3.216 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000055638983 1407035903 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3.222 20 0 GGADHM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1Cl ZINC000023873811 1399587697 /nfs/dbraw/zinc/58/76/97/1399587697.db2.gz QXCKKVFYQMIRJY-UHFFFAOYSA-N -1 3 385.228 3.483 20 0 GGADHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2csc3c2CCCC3)C1=O ZINC000023945170 1399590554 /nfs/dbraw/zinc/59/05/54/1399590554.db2.gz KZRYWXZFCOMZQC-NRFANRHFSA-N -1 3 397.500 3.215 20 0 GGADHM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(Cl)cc(Cl)c2)C1=O ZINC000023954025 1399591149 /nfs/dbraw/zinc/59/11/49/1399591149.db2.gz LXSRFOIPHGFNOX-SFHVURJKSA-N -1 3 392.242 3.496 20 0 GGADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)N2CCCC2)cc1 ZINC000023994200 1399594745 /nfs/dbraw/zinc/59/47/45/1399594745.db2.gz VHJSEOCNEOEXND-GOSISDBHSA-N -1 3 396.459 3.089 20 0 GGADHM COc1ccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000055646325 1407040900 /nfs/dbraw/zinc/04/09/00/1407040900.db2.gz FJVQEWIOQYBTFJ-UHFFFAOYSA-N -1 3 388.851 3.043 20 0 GGADHM O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ncccc1[O-] ZINC000024109146 1399604501 /nfs/dbraw/zinc/60/45/01/1399604501.db2.gz YFAKOXIOIFNDMU-HNNXBMFYSA-N -1 3 383.351 3.176 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)cc1 ZINC000055652595 1407043710 /nfs/dbraw/zinc/04/37/10/1407043710.db2.gz HFLOTSDMYIHNGN-UHFFFAOYSA-N -1 3 390.461 3.228 20 0 GGADHM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024545156 1399640917 /nfs/dbraw/zinc/64/09/17/1399640917.db2.gz NFYIHDQIMPZYMR-AWEZNQCLSA-N -1 3 390.480 3.018 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000024552461 1399641659 /nfs/dbraw/zinc/64/16/59/1399641659.db2.gz AOHDUBQHIJXEBM-MRXNPFEDSA-N -1 3 383.839 3.204 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000024552461 1399641672 /nfs/dbraw/zinc/64/16/72/1399641672.db2.gz AOHDUBQHIJXEBM-MRXNPFEDSA-N -1 3 383.839 3.204 20 0 GGADHM CC(C)(C)c1csc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000024648654 1399651795 /nfs/dbraw/zinc/65/17/95/1399651795.db2.gz ZDJAJDDXZWGVTE-UHFFFAOYSA-N -1 3 397.497 3.273 20 0 GGADHM CCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024675149 1399655813 /nfs/dbraw/zinc/65/58/13/1399655813.db2.gz IPKKXOHESHAZDO-UHFFFAOYSA-N -1 3 392.452 3.308 20 0 GGADHM CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000024805077 1399673995 /nfs/dbraw/zinc/67/39/95/1399673995.db2.gz ZYRAVGVCISWMOI-LJQANCHMSA-N -1 3 390.480 3.394 20 0 GGADHM CCOc1ccccc1OCCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024889349 1399686458 /nfs/dbraw/zinc/68/64/58/1399686458.db2.gz GLRSYVIYZLYYPQ-UHFFFAOYSA-N -1 3 392.477 3.255 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024895514 1399687662 /nfs/dbraw/zinc/68/76/62/1399687662.db2.gz YBNCSHYISMEEMM-UHFFFAOYSA-N -1 3 391.474 3.264 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000024893584 1399687683 /nfs/dbraw/zinc/68/76/83/1399687683.db2.gz SMFWKYDCBITLDQ-UHFFFAOYSA-N -1 3 385.445 3.284 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024895123 1399687731 /nfs/dbraw/zinc/68/77/31/1399687731.db2.gz JKLDHLCSJKTGCB-UHFFFAOYSA-N -1 3 383.473 3.404 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(OC(F)F)cc1 ZINC000024896456 1399688843 /nfs/dbraw/zinc/68/88/43/1399688843.db2.gz YOYMDAYMBPKVRN-UHFFFAOYSA-N -1 3 384.404 3.231 20 0 GGADHM COCCOc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OC ZINC000024955938 1399701686 /nfs/dbraw/zinc/70/16/86/1399701686.db2.gz RJFRKDNDDXJGAM-UHFFFAOYSA-N -1 3 379.478 3.446 20 0 GGADHM CCCCn1c(S[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)n[n-]c1=O ZINC000025029179 1399720088 /nfs/dbraw/zinc/72/00/88/1399720088.db2.gz YAGXPNWVALDXQQ-LLVKDONJSA-N -1 3 386.485 3.148 20 0 GGADHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000025146339 1399756633 /nfs/dbraw/zinc/75/66/33/1399756633.db2.gz WYCPJDBISPZWED-UHFFFAOYSA-N -1 3 377.444 3.191 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000055679089 1407052846 /nfs/dbraw/zinc/05/28/46/1407052846.db2.gz KSQHMADTUSCJKC-UHFFFAOYSA-N -1 3 376.478 3.113 20 0 GGADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cn2ccccc2=O)o1 ZINC000026181768 1399867595 /nfs/dbraw/zinc/86/75/95/1399867595.db2.gz TYDGNKSPHIYXAG-UHFFFAOYSA-N -1 3 378.413 3.260 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(COc2ccc(F)cc2)n1 ZINC000026251795 1399873176 /nfs/dbraw/zinc/87/31/76/1399873176.db2.gz QIYCLAVZBXSIFS-UHFFFAOYSA-N -1 3 387.318 3.250 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(COc2ccc(F)cc2)n1 ZINC000026251795 1399873178 /nfs/dbraw/zinc/87/31/78/1399873178.db2.gz QIYCLAVZBXSIFS-UHFFFAOYSA-N -1 3 387.318 3.250 20 0 GGADHM CCCCc1ccc(N2C[C@@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2=O)cc1 ZINC000026251362 1399873422 /nfs/dbraw/zinc/87/34/22/1399873422.db2.gz IMYSSPCXIHUAPS-LBPRGKRZSA-N -1 3 395.385 3.158 20 0 GGADHM CCCCc1ccc(N2C[C@@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2=O)cc1 ZINC000026251362 1399873425 /nfs/dbraw/zinc/87/34/25/1399873425.db2.gz IMYSSPCXIHUAPS-LBPRGKRZSA-N -1 3 395.385 3.158 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000026528726 1399897202 /nfs/dbraw/zinc/89/72/02/1399897202.db2.gz ZGGRUUVCLJDSGN-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000026538704 1399897893 /nfs/dbraw/zinc/89/78/93/1399897893.db2.gz ZTBOOGHGXQPFAY-UHFFFAOYSA-N -1 3 399.472 3.385 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(Cc3cccs3)C3CC3)nc(=O)c2c1C ZINC000027107779 1399984659 /nfs/dbraw/zinc/98/46/59/1399984659.db2.gz TYUCONYHNRLHKW-UHFFFAOYSA-N -1 3 389.502 3.306 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)ccc1-n1cnnn1 ZINC000028261480 1400144915 /nfs/dbraw/zinc/14/49/15/1400144915.db2.gz AYLHMWUKOMFWGV-UHFFFAOYSA-N -1 3 385.493 3.360 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)cc2C[C@H]1C ZINC000028678979 1400184147 /nfs/dbraw/zinc/18/41/47/1400184147.db2.gz QUVABJDVKWRUCA-LLVKDONJSA-N -1 3 396.415 3.386 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752544 1400192491 /nfs/dbraw/zinc/19/24/91/1400192491.db2.gz JAUIKYBHTHMTKM-MRVPVSSYSA-N -1 3 384.219 3.464 20 0 GGADHM CN(C)c1nc([O-])c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000028757090 1400192973 /nfs/dbraw/zinc/19/29/73/1400192973.db2.gz NJOWAGNMRAYUQU-JTQLQIEISA-N -1 3 379.791 3.247 20 0 GGADHM CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000029008248 1400224633 /nfs/dbraw/zinc/22/46/33/1400224633.db2.gz ZCHCPACCADLNAF-UHFFFAOYSA-N -1 3 391.445 3.016 20 0 GGADHM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000029048135 1400229824 /nfs/dbraw/zinc/22/98/24/1400229824.db2.gz HQUYECIMCHVMJD-UHFFFAOYSA-N -1 3 392.477 3.107 20 0 GGADHM COc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000055819395 1407092177 /nfs/dbraw/zinc/09/21/77/1407092177.db2.gz CVGUNHAGKSSVPA-UHFFFAOYSA-N -1 3 380.441 3.082 20 0 GGADHM O=C(Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1)c1cccs1 ZINC000029389005 1400291731 /nfs/dbraw/zinc/29/17/31/1400291731.db2.gz CBUFEAYMVVYRLT-UHFFFAOYSA-N -1 3 381.339 3.390 20 0 GGADHM O=C(Nc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1)c1cccs1 ZINC000029389005 1400291735 /nfs/dbraw/zinc/29/17/35/1400291735.db2.gz CBUFEAYMVVYRLT-UHFFFAOYSA-N -1 3 381.339 3.390 20 0 GGADHM O=C(COc1ccccc1Cc1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029388847 1400291987 /nfs/dbraw/zinc/29/19/87/1400291987.db2.gz YLIRUQXOUWQERG-UHFFFAOYSA-N -1 3 376.338 3.432 20 0 GGADHM O=C(COc1ccccc1Cc1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029388847 1400291995 /nfs/dbraw/zinc/29/19/95/1400291995.db2.gz YLIRUQXOUWQERG-UHFFFAOYSA-N -1 3 376.338 3.432 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc3c4c(cccc42)CC3)CC1 ZINC000029690296 1400337020 /nfs/dbraw/zinc/33/70/20/1400337020.db2.gz CGUVSDAFTBURPB-UHFFFAOYSA-N -1 3 386.451 3.242 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000029688443 1400337062 /nfs/dbraw/zinc/33/70/62/1400337062.db2.gz KVAVZGYJKPLPOJ-UHFFFAOYSA-N -1 3 382.460 3.169 20 0 GGADHM CSc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000029688219 1400337087 /nfs/dbraw/zinc/33/70/87/1400337087.db2.gz IMYAEDRMXPVPPK-UHFFFAOYSA-N -1 3 390.892 3.366 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1F ZINC000029736052 1400346548 /nfs/dbraw/zinc/34/65/48/1400346548.db2.gz XURYDDDXIPBUBG-UHFFFAOYSA-N -1 3 390.480 3.101 20 0 GGADHM CN(Cc1cccc(F)c1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029757376 1400348824 /nfs/dbraw/zinc/34/88/24/1400348824.db2.gz XIMQVWWZTYBJMZ-UHFFFAOYSA-N -1 3 396.459 3.314 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccs1 ZINC000029760008 1400348860 /nfs/dbraw/zinc/34/88/60/1400348860.db2.gz LCAJOIVPJJTIOT-LLVKDONJSA-N -1 3 384.498 3.455 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000029830758 1400359279 /nfs/dbraw/zinc/35/92/79/1400359279.db2.gz IOJNMKVXPCYJKJ-UHFFFAOYSA-N -1 3 388.493 3.086 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000029830429 1400359809 /nfs/dbraw/zinc/35/98/09/1400359809.db2.gz UXRSNQLJJYNYIJ-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824618907 1428210438 /nfs/dbraw/zinc/21/04/38/1428210438.db2.gz RWURELAVAOEKOA-CYBMUJFWSA-N -1 3 382.493 3.491 20 0 GGADHM C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618907 1428210443 /nfs/dbraw/zinc/21/04/43/1428210443.db2.gz RWURELAVAOEKOA-CYBMUJFWSA-N -1 3 382.493 3.491 20 0 GGADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(CCCl)cc3)ccc21 ZINC000042790033 1400415366 /nfs/dbraw/zinc/41/53/66/1400415366.db2.gz XICFUWYQBJDTGR-UHFFFAOYSA-N -1 3 378.881 3.178 20 0 GGADHM Cc1cc(C)cc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000055899031 1407124265 /nfs/dbraw/zinc/12/42/65/1407124265.db2.gz CAMKPILWSIDMHY-UHFFFAOYSA-N -1 3 378.469 3.406 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)s1 ZINC000055930822 1407137200 /nfs/dbraw/zinc/13/72/00/1407137200.db2.gz FIOCBGUIEBSUAE-UHFFFAOYSA-N -1 3 398.484 3.135 20 0 GGADHM COCCOc1ccc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000056013294 1407171874 /nfs/dbraw/zinc/17/18/74/1407171874.db2.gz SMRNYEZMVBCAAZ-CQSZACIVSA-N -1 3 396.443 3.053 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1F ZINC000056034899 1407177058 /nfs/dbraw/zinc/17/70/58/1407177058.db2.gz QFYWMGKKZMCVMT-KRWDZBQOSA-N -1 3 382.501 3.307 20 0 GGADHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000056040486 1407179500 /nfs/dbraw/zinc/17/95/00/1407179500.db2.gz MZQNMZQUZZGDSA-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM COc1cc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc(OC)c1OC ZINC000056063826 1407186194 /nfs/dbraw/zinc/18/61/94/1407186194.db2.gz DMCIHPWHCOUVGV-JTQLQIEISA-N -1 3 387.404 3.030 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1F)c1[nH]c2ccccc2c1Br ZINC000056075296 1407192664 /nfs/dbraw/zinc/19/26/64/1407192664.db2.gz WWTPMPJASXEZLL-UHFFFAOYSA-N -1 3 376.185 3.144 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000056101483 1407203473 /nfs/dbraw/zinc/20/34/73/1407203473.db2.gz KBZDKWGJBJKQGS-UHFFFAOYSA-N -1 3 397.866 3.041 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OCc2ccccn2)cc1)c1ccc(F)cc1F ZINC000056117799 1407211168 /nfs/dbraw/zinc/21/11/68/1407211168.db2.gz XDBPPCCWQDEHJI-UHFFFAOYSA-N -1 3 390.411 3.417 20 0 GGADHM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000056123106 1407214985 /nfs/dbraw/zinc/21/49/85/1407214985.db2.gz VAEIHNKPKCSWQS-SNVBAGLBSA-N -1 3 376.297 3.256 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)s1 ZINC000056176854 1407241283 /nfs/dbraw/zinc/24/12/83/1407241283.db2.gz XZLNFZLIYJWWJF-GFCCVEGCSA-N -1 3 384.498 3.373 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)c2ccco2)C2CC2)ccc1F ZINC000056185914 1407244739 /nfs/dbraw/zinc/24/47/39/1407244739.db2.gz LNSYRXZDIQQMRW-CYBMUJFWSA-N -1 3 394.468 3.471 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)c2ccco2)C2CC2)ccc1F ZINC000056185898 1407245191 /nfs/dbraw/zinc/24/51/91/1407245191.db2.gz KPGWTBGLDLSYDR-CYBMUJFWSA-N -1 3 392.452 3.249 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)c2ccco2)C2CC2)ccc1F ZINC000056185911 1407245267 /nfs/dbraw/zinc/24/52/67/1407245267.db2.gz LNSYRXZDIQQMRW-ZDUSSCGKSA-N -1 3 394.468 3.471 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3cc(C)ccc32)ccc1F ZINC000056317002 1407296397 /nfs/dbraw/zinc/29/63/97/1407296397.db2.gz VRVMGWYLJRQBTO-SFHVURJKSA-N -1 3 388.464 3.016 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3C[C@H]3C)c2)cc1 ZINC000042984883 1403682904 /nfs/dbraw/zinc/68/29/04/1403682904.db2.gz JYRPYZJSEJBJNM-HUUCEWRRSA-N -1 3 388.489 3.190 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3C[C@H]3C)ccc2C)cc1 ZINC000042984873 1403683042 /nfs/dbraw/zinc/68/30/42/1403683042.db2.gz VZTUMGUJVKDGKZ-ZBFHGGJFSA-N -1 3 388.489 3.190 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3C[C@H]3C)ccc2C)cc1 ZINC000042984875 1403683316 /nfs/dbraw/zinc/68/33/16/1403683316.db2.gz VZTUMGUJVKDGKZ-GDBMZVCRSA-N -1 3 388.489 3.190 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000043182117 1403726680 /nfs/dbraw/zinc/72/66/80/1403726680.db2.gz DCZFZACICRPJKQ-AWEZNQCLSA-N -1 3 387.867 3.274 20 0 GGADHM O=C([N-]NC(=O)N[C@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000043296699 1403742775 /nfs/dbraw/zinc/74/27/75/1403742775.db2.gz HIWVVTHSNQFXSR-GOSISDBHSA-N -1 3 380.835 3.469 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1F ZINC000043755244 1403812024 /nfs/dbraw/zinc/81/20/24/1403812024.db2.gz QCSHJUOQIHOMTF-UHFFFAOYSA-N -1 3 398.887 3.486 20 0 GGADHM O=C(c1csc(-c2ccccc2)n1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000043764523 1403812671 /nfs/dbraw/zinc/81/26/71/1403812671.db2.gz OWBDQSCBAJVBSL-UHFFFAOYSA-N -1 3 393.468 3.114 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000043764413 1403812893 /nfs/dbraw/zinc/81/28/93/1403812893.db2.gz GGXBXVBRUIJJGM-UHFFFAOYSA-N -1 3 393.270 3.226 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])N[C@H](Cc1ccccc1)c1ccccc1 ZINC000043784209 1403816592 /nfs/dbraw/zinc/81/65/92/1403816592.db2.gz UMVDVIZKZBFBBS-LJQANCHMSA-N -1 3 375.428 3.320 20 0 GGADHM Cc1nn(C)c(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044000741 1403858042 /nfs/dbraw/zinc/85/80/42/1403858042.db2.gz SBTJXMUAVCHPAV-UHFFFAOYSA-N -1 3 398.488 3.398 20 0 GGADHM CS(=O)(=O)Nc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000044010873 1403859424 /nfs/dbraw/zinc/85/94/24/1403859424.db2.gz WKMYAPHXQZWJCP-LICLKQGHSA-N -1 3 383.267 3.145 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000044138051 1403882035 /nfs/dbraw/zinc/88/20/35/1403882035.db2.gz YERRTYVTWAXRRW-UHFFFAOYSA-N -1 3 375.881 3.200 20 0 GGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2o1 ZINC000044253358 1403909439 /nfs/dbraw/zinc/90/94/39/1403909439.db2.gz MVVMMMXPLUVEJI-UHFFFAOYSA-N -1 3 385.319 3.492 20 0 GGADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)C1CC1 ZINC000044545146 1403947295 /nfs/dbraw/zinc/94/72/95/1403947295.db2.gz PJUFLYUIIGRBEY-UHFFFAOYSA-N -1 3 388.489 3.429 20 0 GGADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC000044770008 1403997796 /nfs/dbraw/zinc/99/77/96/1403997796.db2.gz MUTUNMTUBMHVEX-UHFFFAOYSA-N -1 3 392.377 3.318 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)n3cccn3)cc2)cc1 ZINC000045056682 1404046568 /nfs/dbraw/zinc/04/65/68/1404046568.db2.gz DOWPVVUCUOFZTO-HNNXBMFYSA-N -1 3 384.461 3.192 20 0 GGADHM CCc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000045310353 1404096253 /nfs/dbraw/zinc/09/62/53/1404096253.db2.gz JDFKQWWECJUMCF-CYBMUJFWSA-N -1 3 390.480 3.320 20 0 GGADHM O=C(NCc1ccccc1OC(F)(F)F)N[N-]C(=O)c1ccccc1Cl ZINC000045313864 1404097583 /nfs/dbraw/zinc/09/75/83/1404097583.db2.gz LFRHGNGASIMJSC-UHFFFAOYSA-N -1 3 387.745 3.383 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1F ZINC000045314542 1404097632 /nfs/dbraw/zinc/09/76/32/1404097632.db2.gz AYHIAQRMXTWLAJ-OAHLLOKOSA-N -1 3 394.493 3.329 20 0 GGADHM O=C(COC(=O)c1cccnc1Sc1ccccc1)[N-]C(=O)c1cccs1 ZINC000045335246 1404100742 /nfs/dbraw/zinc/10/07/42/1404100742.db2.gz RTXXBLHKXIRGTA-UHFFFAOYSA-N -1 3 398.465 3.408 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c3ncccc23)ccc1F ZINC000045357974 1404106634 /nfs/dbraw/zinc/10/66/34/1404106634.db2.gz RNZHCLNDHUQYLI-UHFFFAOYSA-N -1 3 399.447 3.399 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)ccc1F ZINC000045442273 1404122105 /nfs/dbraw/zinc/12/21/05/1404122105.db2.gz OQQLEXUCMIDIOC-OAHLLOKOSA-N -1 3 390.480 3.432 20 0 GGADHM Cc1cccc(-n2ccnc2SCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1C ZINC000045571241 1404148434 /nfs/dbraw/zinc/14/84/34/1404148434.db2.gz JCZVQBYXSBAXEU-UHFFFAOYSA-N -1 3 396.398 3.357 20 0 GGADHM Cc1cccc(-n2ccnc2SCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1C ZINC000045571241 1404148438 /nfs/dbraw/zinc/14/84/38/1404148438.db2.gz JCZVQBYXSBAXEU-UHFFFAOYSA-N -1 3 396.398 3.357 20 0 GGADHM O=C(NCc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccccc1[O-] ZINC000045792694 1404206275 /nfs/dbraw/zinc/20/62/75/1404206275.db2.gz OUFLBAHXVCLKTK-UHFFFAOYSA-N -1 3 391.427 3.115 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1F ZINC000045869979 1404230115 /nfs/dbraw/zinc/23/01/15/1404230115.db2.gz NFDQBANVLPOFSL-UHFFFAOYSA-N -1 3 390.480 3.496 20 0 GGADHM COc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045872306 1404230306 /nfs/dbraw/zinc/23/03/06/1404230306.db2.gz SLWNPPMCCDBUCZ-UHFFFAOYSA-N -1 3 381.425 3.130 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1F ZINC000045891487 1404236319 /nfs/dbraw/zinc/23/63/19/1404236319.db2.gz ILKOSDPBWUNKFK-UHFFFAOYSA-N -1 3 385.848 3.203 20 0 GGADHM CCCOc1ccc(CNC(=O)N[N-]C(=O)c2ccccc2Cl)cc1OC ZINC000045892877 1404236665 /nfs/dbraw/zinc/23/66/65/1404236665.db2.gz SYRTYPYBUCARAD-UHFFFAOYSA-N -1 3 391.855 3.282 20 0 GGADHM COc1cc(CNC(=O)NN=c2nc(C)cc(C)[n-]2)ccc1OCCC(C)C ZINC000045891775 1404236691 /nfs/dbraw/zinc/23/66/91/1404236691.db2.gz BHMAKSYBMNDPKK-UHFFFAOYSA-N -1 3 387.484 3.353 20 0 GGADHM C=C(Cl)COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000045916646 1404242207 /nfs/dbraw/zinc/24/22/07/1404242207.db2.gz BPLYIQDYIIJWGD-UHFFFAOYSA-N -1 3 384.668 3.343 20 0 GGADHM O=C(NCc1cccnc1Oc1cccc(F)c1)N[N-]C(=O)c1ccccc1F ZINC000045999458 1404268552 /nfs/dbraw/zinc/26/85/52/1404268552.db2.gz ITYQECSYXNKHFF-UHFFFAOYSA-N -1 3 398.369 3.296 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2)n1 ZINC000046065416 1404287037 /nfs/dbraw/zinc/28/70/37/1404287037.db2.gz BLOAHYIDJBDBFJ-UHFFFAOYSA-N -1 3 378.432 3.399 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)c2)n1 ZINC000046067403 1404288700 /nfs/dbraw/zinc/28/87/00/1404288700.db2.gz DLGGEAMYBYGNNO-IBGZPJMESA-N -1 3 388.427 3.131 20 0 GGADHM COC(=O)c1ccc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)o1 ZINC000046084274 1404293338 /nfs/dbraw/zinc/29/33/38/1404293338.db2.gz HEDYWEQORVVYEL-LLVKDONJSA-N -1 3 396.428 3.342 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1F ZINC000046111905 1404299821 /nfs/dbraw/zinc/29/98/21/1404299821.db2.gz UGRJSLRGNUIPIJ-CYBMUJFWSA-N -1 3 376.453 3.104 20 0 GGADHM CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046123744 1404305334 /nfs/dbraw/zinc/30/53/34/1404305334.db2.gz IVICVOODMPVSFW-UHFFFAOYSA-N -1 3 380.441 3.163 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1F ZINC000046121911 1404305784 /nfs/dbraw/zinc/30/57/84/1404305784.db2.gz ODLJSDYKHILEKO-UHFFFAOYSA-N -1 3 398.887 3.138 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1F ZINC000046130668 1404307233 /nfs/dbraw/zinc/30/72/33/1404307233.db2.gz CHKHZBIKTHEQIB-UHFFFAOYSA-N -1 3 376.453 3.253 20 0 GGADHM Cc1ccccc1CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046142207 1404310943 /nfs/dbraw/zinc/31/09/43/1404310943.db2.gz JWVIACQTNWELOE-UHFFFAOYSA-N -1 3 378.469 3.093 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)NCc2cccc(COCc3ccco3)c2)n1 ZINC000046154341 1404314129 /nfs/dbraw/zinc/31/41/29/1404314129.db2.gz RFMKHZPJBQDTCY-UHFFFAOYSA-N -1 3 381.436 3.230 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1F ZINC000046186667 1404325930 /nfs/dbraw/zinc/32/59/30/1404325930.db2.gz GAUJHADDJGMYPI-GOSISDBHSA-N -1 3 390.480 3.490 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc3ccccc3c2)ccc1F ZINC000046189757 1404326341 /nfs/dbraw/zinc/32/63/41/1404326341.db2.gz AJPUQDHBAOXGAL-UHFFFAOYSA-N -1 3 387.436 3.313 20 0 GGADHM CN(C)c1ccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)cn1 ZINC000046286960 1404353897 /nfs/dbraw/zinc/35/38/97/1404353897.db2.gz FOTMVJCNGMBNDC-UHFFFAOYSA-N -1 3 389.674 3.329 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1F ZINC000046332847 1404366674 /nfs/dbraw/zinc/36/66/74/1404366674.db2.gz LYAGPUKPDKVMKE-SFHVURJKSA-N -1 3 390.480 3.272 20 0 GGADHM CCCOc1c(Cl)cc(C(=O)NN=c2nc(OC)cc[n-]2)cc1OCC ZINC000046363829 1404384846 /nfs/dbraw/zinc/38/48/46/1404384846.db2.gz IBWQQHOOKUKNQK-UHFFFAOYSA-N -1 3 380.832 3.083 20 0 GGADHM COc1cc[n-]c(=NNC(=O)C2(c3ccc(Br)cc3)CCCC2)n1 ZINC000046365341 1404385855 /nfs/dbraw/zinc/38/58/55/1404385855.db2.gz IMDSEDYXPSWYRQ-UHFFFAOYSA-N -1 3 391.269 3.203 20 0 GGADHM Cc1nc(C)c(CC(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000046416785 1404406901 /nfs/dbraw/zinc/40/69/01/1404406901.db2.gz QGARIHYYSZAFQA-OAQYLSRUSA-N -1 3 376.412 3.097 20 0 GGADHM Cc1nc(C)c(CC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c(=O)[n-]1 ZINC000046412926 1404407144 /nfs/dbraw/zinc/40/71/44/1404407144.db2.gz LEQUQSLFDRVRSO-UHFFFAOYSA-N -1 3 396.443 3.211 20 0 GGADHM CCOc1ccc(-c2nc(COC(=O)Cc3c(C)nc(C)[n-]c3=O)cs2)cc1 ZINC000046415234 1404407265 /nfs/dbraw/zinc/40/72/65/1404407265.db2.gz ZRQWDJCGMZNICW-UHFFFAOYSA-N -1 3 399.472 3.195 20 0 GGADHM Cc1noc([C@H](C)OC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000046451854 1404422048 /nfs/dbraw/zinc/42/20/48/1404422048.db2.gz ANYJHMLUQMPPRZ-SCLBCKFNSA-N -1 3 395.415 3.249 20 0 GGADHM CC(C)(C)C(=O)COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000046451994 1404423178 /nfs/dbraw/zinc/42/31/78/1404423178.db2.gz QBTPXTUJHCQQIM-GOSISDBHSA-N -1 3 383.444 3.412 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnc(C)cn3)cc2)cc1 ZINC000046462702 1404428007 /nfs/dbraw/zinc/42/80/07/1404428007.db2.gz NCIAIYLVWKGGAN-UHFFFAOYSA-N -1 3 382.445 3.147 20 0 GGADHM Cc1cc([C@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)s1 ZINC000046600491 1404500144 /nfs/dbraw/zinc/50/01/44/1404500144.db2.gz IPFUBNBPLRINLZ-AWEZNQCLSA-N -1 3 387.505 3.299 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000046648068 1404530797 /nfs/dbraw/zinc/53/07/97/1404530797.db2.gz UUFQGDDTLDINFW-INIZCTEOSA-N -1 3 392.463 3.455 20 0 GGADHM Cc1cc2cc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)ccc2[nH]1 ZINC000046694242 1404555244 /nfs/dbraw/zinc/55/52/44/1404555244.db2.gz SWPDZCVFUVRLKX-UHFFFAOYSA-N -1 3 387.436 3.308 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000046851360 1404610977 /nfs/dbraw/zinc/61/09/77/1404610977.db2.gz SJYWGUWINBEVDI-UHFFFAOYSA-N -1 3 399.781 3.199 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(SC(F)F)cc1 ZINC000046851400 1404611674 /nfs/dbraw/zinc/61/16/74/1404611674.db2.gz LQPDTZMGRCLEGH-UHFFFAOYSA-N -1 3 381.404 3.258 20 0 GGADHM 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)n1 ZINC000049302150 1405362945 /nfs/dbraw/zinc/36/29/45/1405362945.db2.gz LXDQXALQHWAPHQ-UHFFFAOYSA-N -1 3 377.400 3.023 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(OC)c(OC)c3)c2)n1 ZINC000049304516 1405363085 /nfs/dbraw/zinc/36/30/85/1405363085.db2.gz FPWIYFVYHOBNLV-UHFFFAOYSA-N -1 3 393.443 3.198 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)c2)n1 ZINC000049302449 1405363277 /nfs/dbraw/zinc/36/32/77/1405363277.db2.gz HEQNJFALXYLEJX-UHFFFAOYSA-N -1 3 388.427 3.136 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735984010 1426921230 /nfs/dbraw/zinc/92/12/30/1426921230.db2.gz AUZDBHABPKJFDH-KRWDZBQOSA-N -1 3 396.539 3.117 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735984010 1426921234 /nfs/dbraw/zinc/92/12/34/1426921234.db2.gz AUZDBHABPKJFDH-KRWDZBQOSA-N -1 3 396.539 3.117 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC4CC4)nc3)c2)n1 ZINC000049978803 1405439761 /nfs/dbraw/zinc/43/97/61/1405439761.db2.gz GCSMIFHTQKCPAD-UHFFFAOYSA-N -1 3 375.432 3.221 20 0 GGADHM C[C@H](NC(=O)COC(=O)c1ccc([O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000050363095 1405560451 /nfs/dbraw/zinc/56/04/51/1405560451.db2.gz BZBGJLRCRUHUKB-NSHDSACASA-N -1 3 383.322 3.325 20 0 GGADHM CN(Cc1cc(Br)cs1)C(=O)COC(=O)c1ccc([O-])cc1 ZINC000050362950 1405560846 /nfs/dbraw/zinc/56/08/46/1405560846.db2.gz GXDWLSBABDCKRH-UHFFFAOYSA-N -1 3 384.251 3.032 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000050603471 1405611602 /nfs/dbraw/zinc/61/16/02/1405611602.db2.gz YJVBKQMSHTYWKD-SECBINFHSA-N -1 3 394.140 3.262 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000050603471 1405611609 /nfs/dbraw/zinc/61/16/09/1405611609.db2.gz YJVBKQMSHTYWKD-SECBINFHSA-N -1 3 394.140 3.262 20 0 GGADHM O=C1[C@@H](N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCN1c1ccccc1 ZINC000826477097 1427547275 /nfs/dbraw/zinc/54/72/75/1427547275.db2.gz VOYNDPRBXKDAGV-PMACEKPBSA-N -1 3 388.475 3.029 20 0 GGADHM O=C1[C@@H](N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCN1c1ccccc1 ZINC000826477097 1427547281 /nfs/dbraw/zinc/54/72/81/1427547281.db2.gz VOYNDPRBXKDAGV-PMACEKPBSA-N -1 3 388.475 3.029 20 0 GGADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000051237783 1405751392 /nfs/dbraw/zinc/75/13/92/1405751392.db2.gz YZQVXSQFTFNNEM-KXBFYZLASA-N -1 3 393.443 3.202 20 0 GGADHM Cc1cc(N2CCSCC2)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000051236469 1405751503 /nfs/dbraw/zinc/75/15/03/1405751503.db2.gz XCQMDUJTIAWNKW-UHFFFAOYSA-N -1 3 396.472 3.076 20 0 GGADHM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1=O ZINC000051265454 1405760621 /nfs/dbraw/zinc/76/06/21/1405760621.db2.gz RFQFRWMDXOQICS-GHMZBOCLSA-N -1 3 395.385 3.329 20 0 GGADHM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1=O ZINC000051265454 1405760629 /nfs/dbraw/zinc/76/06/29/1405760629.db2.gz RFQFRWMDXOQICS-GHMZBOCLSA-N -1 3 395.385 3.329 20 0 GGADHM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1=O ZINC000051265458 1405761041 /nfs/dbraw/zinc/76/10/41/1405761041.db2.gz RFQFRWMDXOQICS-MNOVXSKESA-N -1 3 395.385 3.329 20 0 GGADHM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1=O ZINC000051265458 1405761060 /nfs/dbraw/zinc/76/10/60/1405761060.db2.gz RFQFRWMDXOQICS-MNOVXSKESA-N -1 3 395.385 3.329 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826306233 1427861251 /nfs/dbraw/zinc/86/12/51/1427861251.db2.gz SZXDNDJVMQXBTP-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826306233 1427861258 /nfs/dbraw/zinc/86/12/58/1427861258.db2.gz SZXDNDJVMQXBTP-HXUWFJFHSA-N -1 3 392.507 3.168 20 0 GGADHM O=C(COC(=O)CCCOc1ccc(Cl)cc1)[N-]C(=O)c1cccs1 ZINC000051974105 1405891106 /nfs/dbraw/zinc/89/11/06/1405891106.db2.gz AMYGCZRHLISAFI-UHFFFAOYSA-N -1 3 381.837 3.060 20 0 GGADHM C[C@H](Sc1ccccc1Cl)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000052007059 1405897094 /nfs/dbraw/zinc/89/70/94/1405897094.db2.gz ABWANGDUNFPEHO-JTQLQIEISA-N -1 3 383.878 3.382 20 0 GGADHM O=C(COC(=O)CCc1ccc(-c2ccccc2)[nH]1)[N-]C(=O)c1cccs1 ZINC000052244988 1406000824 /nfs/dbraw/zinc/00/08/24/1406000824.db2.gz CZEDBRFMIZLUIV-UHFFFAOYSA-N -1 3 382.441 3.176 20 0 GGADHM Cc1cn2nc(N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)sc2n1 ZINC000052427752 1406047820 /nfs/dbraw/zinc/04/78/20/1406047820.db2.gz JIOLDLILXFNEFP-UHFFFAOYSA-N -1 3 391.884 3.313 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000056780665 1407430482 /nfs/dbraw/zinc/43/04/82/1407430482.db2.gz KDJNLDLOKFVZRN-ZDUSSCGKSA-N -1 3 398.413 3.181 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000056792794 1407434736 /nfs/dbraw/zinc/43/47/36/1407434736.db2.gz GCYJILGGSHLHIJ-UHFFFAOYSA-N -1 3 396.878 3.385 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1 ZINC000056818173 1407442891 /nfs/dbraw/zinc/44/28/91/1407442891.db2.gz JOKSAJADCLDJDK-GHMZBOCLSA-N -1 3 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ZINC000057096777 1407519728 /nfs/dbraw/zinc/51/97/28/1407519728.db2.gz METZLXOQGUVISE-UHFFFAOYSA-N -1 3 385.427 3.058 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000057125115 1407528693 /nfs/dbraw/zinc/52/86/93/1407528693.db2.gz PPRYUOHEMRUCQE-UHFFFAOYSA-N -1 3 393.371 3.314 20 0 GGADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000057125389 1407528901 /nfs/dbraw/zinc/52/89/01/1407528901.db2.gz NRIPZBMVELTTTA-UHFFFAOYSA-N -1 3 378.450 3.315 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000176325607 1428245499 /nfs/dbraw/zinc/24/54/99/1428245499.db2.gz YWSACJADDIHCBZ-AREMUKBSSA-N -1 3 395.912 3.160 20 0 GGADHM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000057153441 1407537147 /nfs/dbraw/zinc/53/71/47/1407537147.db2.gz QNNUBSFOWKAWCS-QFIPXVFZSA-N -1 3 392.499 3.478 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1Cl)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000057197494 1407553703 /nfs/dbraw/zinc/55/37/03/1407553703.db2.gz 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CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(Cl)cc32)ccc1F ZINC000058724930 1407870065 /nfs/dbraw/zinc/87/00/65/1407870065.db2.gz GMCQVXTXJAMSST-UHFFFAOYSA-N -1 3 396.871 3.369 20 0 GGADHM CC(C)(C)OC(=O)COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000058786254 1407880585 /nfs/dbraw/zinc/88/05/85/1407880585.db2.gz ATJBQVDEYWIGOT-GOSISDBHSA-N -1 3 399.443 3.138 20 0 GGADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(F)c2F)N2CCCC2)cc1 ZINC000060357048 1407959088 /nfs/dbraw/zinc/95/90/88/1407959088.db2.gz XMPSUHBHSQFVJV-KRWDZBQOSA-N -1 3 396.459 3.089 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)N1CCCC1 ZINC000060357119 1407959821 /nfs/dbraw/zinc/95/98/21/1407959821.db2.gz LMGIENAXNIWPBE-INIZCTEOSA-N -1 3 396.459 3.089 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3ccc(F)cc3)n2)n1C[C@H]1CCCO1 ZINC000060385009 1407967548 /nfs/dbraw/zinc/96/75/48/1407967548.db2.gz UKBWWISPHFCYNG-CQSZACIVSA-N -1 3 392.481 3.305 20 0 GGADHM Cc1cc(Br)ccc1SCC(=O)NNC(=O)c1ccccc1[O-] ZINC000060622428 1408013355 /nfs/dbraw/zinc/01/33/55/1408013355.db2.gz DCYJITNTJQRVRD-UHFFFAOYSA-N -1 3 395.278 3.016 20 0 GGADHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000060628191 1408014650 /nfs/dbraw/zinc/01/46/50/1408014650.db2.gz NTMPTEJKGUWPOQ-MRXNPFEDSA-N -1 3 394.500 3.392 20 0 GGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC2)c(Cl)cc1Cl ZINC000060633618 1408015645 /nfs/dbraw/zinc/01/56/45/1408015645.db2.gz IGUHJMAWFMGTKN-SNVBAGLBSA-N -1 3 379.309 3.306 20 0 GGADHM O=C1[N-]C(=O)C(=CNCc2ccc(-n3cnc4ccccc43)cc2)c2ccccc21 ZINC000060789840 1408033764 /nfs/dbraw/zinc/03/37/64/1408033764.db2.gz ABKNCSZGBMMPCV-XSFVSMFZSA-N -1 3 394.434 3.426 20 0 GGADHM Cc1n[nH]c(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000060869452 1408044700 /nfs/dbraw/zinc/04/47/00/1408044700.db2.gz YDGOAJSGWYRUKV-UHFFFAOYSA-N -1 3 388.424 3.219 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000060923762 1408053221 /nfs/dbraw/zinc/05/32/21/1408053221.db2.gz BGFNNSATEPEVCJ-UHFFFAOYSA-N -1 3 382.445 3.109 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000060925774 1408053479 /nfs/dbraw/zinc/05/34/79/1408053479.db2.gz AQYXDNANHJHJNN-UHFFFAOYSA-N -1 3 384.457 3.372 20 0 GGADHM CCOc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OCC ZINC000060958650 1408056889 /nfs/dbraw/zinc/05/68/89/1408056889.db2.gz SMCHHTPFXJHMMQ-UHFFFAOYSA-N -1 3 398.459 3.337 20 0 GGADHM C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1F ZINC000061165889 1408086279 /nfs/dbraw/zinc/08/62/79/1408086279.db2.gz SLYJGTWXPWQKMM-NSHDSACASA-N -1 3 381.400 3.324 20 0 GGADHM C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(F)cc1F ZINC000061165920 1408086735 /nfs/dbraw/zinc/08/67/35/1408086735.db2.gz PKHFJYPAUSRKCY-SNVBAGLBSA-N -1 3 399.390 3.463 20 0 GGADHM COc1ccc(NC(=S)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000061481312 1408137311 /nfs/dbraw/zinc/13/73/11/1408137311.db2.gz UZISEVYNRSHJKX-UHFFFAOYSA-N -1 3 398.257 3.228 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)c(C)o1 ZINC000176390840 1428294739 /nfs/dbraw/zinc/29/47/39/1428294739.db2.gz NTAABSKAZARTNS-KRWDZBQOSA-N -1 3 378.494 3.322 20 0 GGADHM CC(C)Cn1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c2ccccc21 ZINC000061849836 1408181925 /nfs/dbraw/zinc/18/19/25/1408181925.db2.gz QIKCXOSVXSQLCY-UHFFFAOYSA-N -1 3 384.457 3.472 20 0 GGADHM CCOCCOc1c(Cl)cccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000062916783 1408298022 /nfs/dbraw/zinc/29/80/22/1408298022.db2.gz WFBPMAMVYKJHEL-UHFFFAOYSA-N -1 3 393.871 3.027 20 0 GGADHM COc1ccc(C2(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)CCCCC2)cc1 ZINC000063082936 1408302361 /nfs/dbraw/zinc/30/23/61/1408302361.db2.gz NRRXHNDXEDVCGJ-UHFFFAOYSA-N -1 3 397.519 3.346 20 0 GGADHM CCN(CC)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000063094423 1408303763 /nfs/dbraw/zinc/30/37/63/1408303763.db2.gz IRULNCQRUNNDKO-UHFFFAOYSA-N -1 3 397.447 3.046 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c1 ZINC000063183715 1408313615 /nfs/dbraw/zinc/31/36/15/1408313615.db2.gz RQMRLNIMUJTDCM-AWEZNQCLSA-N -1 3 381.450 3.128 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)c1 ZINC000063184264 1408313658 /nfs/dbraw/zinc/31/36/58/1408313658.db2.gz CSKFCOFMXSBCBM-CQSZACIVSA-N -1 3 399.440 3.267 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(OCC(C)C)c2)c1 ZINC000063186163 1408314199 /nfs/dbraw/zinc/31/41/99/1408314199.db2.gz OWEVHVOYMJISPS-UHFFFAOYSA-N -1 3 395.452 3.126 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(SC)cc2)c1 ZINC000063184662 1408314421 /nfs/dbraw/zinc/31/44/21/1408314421.db2.gz VZZZQFKLPGYVSZ-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCCCOc2ccc(C)cc2)c1 ZINC000063185208 1408314574 /nfs/dbraw/zinc/31/45/74/1408314574.db2.gz QWMBQGMHSWLOBR-UHFFFAOYSA-N -1 3 395.452 3.058 20 0 GGADHM COCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000063305051 1408333046 /nfs/dbraw/zinc/33/30/46/1408333046.db2.gz IALKCPJGLXPLOB-UHFFFAOYSA-N -1 3 376.478 3.469 20 0 GGADHM Cc1cccc(C(C)(C)CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000063408806 1408350330 /nfs/dbraw/zinc/35/03/30/1408350330.db2.gz HKGYDELAJVMTPO-UHFFFAOYSA-N -1 3 395.503 3.146 20 0 GGADHM O=C1Nc2c(cc(Cl)cc2Cl)C1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000063427515 1408352054 /nfs/dbraw/zinc/35/20/54/1408352054.db2.gz RDKLHZUZACZMNB-UHFFFAOYSA-N -1 3 384.244 3.419 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)cc2)cc1 ZINC000063443054 1408355294 /nfs/dbraw/zinc/35/52/94/1408355294.db2.gz FRCFHIOSALNQQU-UHFFFAOYSA-N -1 3 394.449 3.081 20 0 GGADHM CCO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000063455272 1408357133 /nfs/dbraw/zinc/35/71/33/1408357133.db2.gz PDPSJTIHNZTLND-AWEZNQCLSA-N -1 3 392.477 3.168 20 0 GGADHM O=C([N-]NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccccc1F ZINC000063890573 1408437785 /nfs/dbraw/zinc/43/77/85/1408437785.db2.gz KHGQJIKLARIFCQ-UHFFFAOYSA-N -1 3 389.430 3.463 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000176439657 1428320403 /nfs/dbraw/zinc/32/04/03/1428320403.db2.gz XJCAVELAKSNQFE-UHFFFAOYSA-N -1 3 377.194 3.364 20 0 GGADHM COc1ccc(-c2cnc(CCC(=O)Nc3n[n-]c(-c4ccco4)n3)o2)cc1 ZINC000064024962 1408468756 /nfs/dbraw/zinc/46/87/56/1408468756.db2.gz RJLUXGPTDISNLU-UHFFFAOYSA-N -1 3 379.376 3.300 20 0 GGADHM CC1(C)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000064056807 1408476699 /nfs/dbraw/zinc/47/66/99/1408476699.db2.gz ODPXQPBOZOEBQG-QGZVFWFLSA-N -1 3 388.489 3.306 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(OCC3CCCC3)CC2)c([O-])c1 ZINC000176447190 1428322807 /nfs/dbraw/zinc/32/28/07/1428322807.db2.gz WRQDMFXZEQQESR-UHFFFAOYSA-N -1 3 388.508 3.018 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc4c3OCCO4)nc(=O)c2c1C ZINC000064168541 1408500946 /nfs/dbraw/zinc/50/09/46/1408500946.db2.gz YLEUFFBXIVMYCI-SNVBAGLBSA-N -1 3 386.429 3.291 20 0 GGADHM Cc1cccc(OCCCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000064204928 1408508951 /nfs/dbraw/zinc/50/89/51/1408508951.db2.gz OSCZMBIOMVBWPK-UHFFFAOYSA-N -1 3 375.446 3.105 20 0 GGADHM O=C(COC(=O)c1ccc(F)c(C(F)(F)F)c1)[N-]C(=O)c1cccs1 ZINC000064211632 1408510552 /nfs/dbraw/zinc/51/05/52/1408510552.db2.gz GPRQRAVJXLTPJS-UHFFFAOYSA-N -1 3 375.299 3.019 20 0 GGADHM Cc1ccc(C)c(OCCCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000064221850 1408512250 /nfs/dbraw/zinc/51/22/50/1408512250.db2.gz UDQXPIQLFUJWFE-UHFFFAOYSA-N -1 3 389.473 3.414 20 0 GGADHM O=C(COC(=O)c1csc(-c2ccccc2F)n1)[N-]C(=O)c1cccs1 ZINC000064281099 1408527669 /nfs/dbraw/zinc/52/76/69/1408527669.db2.gz QBFJMOIFAUURGM-UHFFFAOYSA-N -1 3 390.417 3.124 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1F ZINC000064379649 1408542591 /nfs/dbraw/zinc/54/25/91/1408542591.db2.gz ONVOEVRRMAEJIU-UONOGXRCSA-N -1 3 377.213 3.153 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000176464863 1428328553 /nfs/dbraw/zinc/32/85/53/1428328553.db2.gz KXGZGABSYUTPED-UHFFFAOYSA-N -1 3 376.478 3.130 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1 ZINC000064476769 1408562405 /nfs/dbraw/zinc/56/24/05/1408562405.db2.gz BZKJFQKXBBFOCY-UHFFFAOYSA-N -1 3 389.477 3.411 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000176466724 1428329063 /nfs/dbraw/zinc/32/90/63/1428329063.db2.gz MRUAXLGUTAAJHR-MRXNPFEDSA-N -1 3 382.526 3.176 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2F)cc1 ZINC000064477004 1408563282 /nfs/dbraw/zinc/56/32/82/1408563282.db2.gz HYHIASBZKDMWOS-UHFFFAOYSA-N -1 3 382.438 3.305 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000176466663 1428329179 /nfs/dbraw/zinc/32/91/79/1428329179.db2.gz AQMIWBYFWSIXQW-OAHLLOKOSA-N -1 3 382.526 3.034 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000176466713 1428329203 /nfs/dbraw/zinc/32/92/03/1428329203.db2.gz MRUAXLGUTAAJHR-INIZCTEOSA-N -1 3 382.526 3.176 20 0 GGADHM CCCCOc1ncccc1CNC(=O)N[N-]C(=O)c1ccccc1Cl ZINC000064767764 1408610533 /nfs/dbraw/zinc/61/05/33/1408610533.db2.gz APXYWRYQHNCVBV-UHFFFAOYSA-N -1 3 376.844 3.058 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)[N-]c3ncn(Cc4ccccc4)n3)c2nc1C ZINC000064808265 1408614702 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COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2[O-])cc1-c1ccccc1 ZINC000065308998 1408660237 /nfs/dbraw/zinc/66/02/37/1408660237.db2.gz HPMHLJBCMOLNOS-UHFFFAOYSA-N -1 3 376.412 3.451 20 0 GGADHM CCN1CC[C@@H](NCc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825454226 1428339055 /nfs/dbraw/zinc/33/90/55/1428339055.db2.gz ZRYUEWNRASVQMG-WBVHZDCISA-N -1 3 390.850 3.177 20 0 GGADHM CCN1CC[C@@H](NCc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825454226 1428339061 /nfs/dbraw/zinc/33/90/61/1428339061.db2.gz ZRYUEWNRASVQMG-WBVHZDCISA-N -1 3 390.850 3.177 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000065515224 1408682540 /nfs/dbraw/zinc/68/25/40/1408682540.db2.gz VJSQIZAHYYEPTI-UHFFFAOYSA-N -1 3 389.864 3.262 20 0 GGADHM Cc1ccc(CCNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)c1 ZINC000065577046 1408693893 /nfs/dbraw/zinc/69/38/93/1408693893.db2.gz FDLQHZHYZWSVEY-UHFFFAOYSA-N -1 3 392.496 3.102 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc3cccnc32)cc1OC ZINC000065659164 1408706974 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397.431 3.249 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(OC(F)F)c1 ZINC000065798332 1408732095 /nfs/dbraw/zinc/73/20/95/1408732095.db2.gz LJQDYXDNWPFCJB-VIFPVBQESA-N -1 3 375.331 3.054 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000065821356 1408735844 /nfs/dbraw/zinc/73/58/44/1408735844.db2.gz UVGVTGUROZTMQQ-CQSZACIVSA-N -1 3 395.415 3.162 20 0 GGADHM CC1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000065854122 1408742183 /nfs/dbraw/zinc/74/21/83/1408742183.db2.gz MTCRSRWYXMIPBO-UHFFFAOYSA-N -1 3 384.517 3.459 20 0 GGADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000065880177 1408747170 /nfs/dbraw/zinc/74/71/70/1408747170.db2.gz KKJDWPSGCNXKNR-UHFFFAOYSA-N -1 3 377.448 3.089 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065985797 1408767477 /nfs/dbraw/zinc/76/74/77/1408767477.db2.gz XJSDNFPBEMKFHN-UHFFFAOYSA-N -1 3 388.427 3.463 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCCC(=O)OCc2ccccc2)n1 ZINC000826262037 1428346319 /nfs/dbraw/zinc/34/63/19/1428346319.db2.gz CEKHFAPLLWFZPZ-UHFFFAOYSA-N -1 3 380.452 3.204 20 0 GGADHM Brc1ccc(C2(NCc3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000819687979 1428347659 /nfs/dbraw/zinc/34/76/59/1428347659.db2.gz ACLYAJABSMPSOF-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM Brc1ccc(C2(NCc3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000819687979 1428347664 /nfs/dbraw/zinc/34/76/64/1428347664.db2.gz ACLYAJABSMPSOF-UHFFFAOYSA-N -1 3 376.283 3.470 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000066118334 1408781865 /nfs/dbraw/zinc/78/18/65/1408781865.db2.gz FPISMDVYCGZGJU-UHFFFAOYSA-N -1 3 390.842 3.345 20 0 GGADHM Cc1cccc(OCCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000066317951 1408810952 /nfs/dbraw/zinc/81/09/52/1408810952.db2.gz LKDJPXGLQBBRCV-UHFFFAOYSA-N -1 3 396.487 3.234 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1F ZINC000066458753 1408841781 /nfs/dbraw/zinc/84/17/81/1408841781.db2.gz YTYLNSWMWLTZQT-OAHLLOKOSA-N -1 3 392.496 3.388 20 0 GGADHM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000066579199 1408860158 /nfs/dbraw/zinc/86/01/58/1408860158.db2.gz GRKJVXKQLPSJIW-JXMROGBWSA-N -1 3 397.840 3.065 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000066585716 1408861323 /nfs/dbraw/zinc/86/13/23/1408861323.db2.gz VIXXDECKSLEAEV-UHFFFAOYSA-N -1 3 391.836 3.098 20 0 GGADHM CCOc1ccc(NC(=S)N[N-]C(=O)c2cccnc2SC(F)F)cc1 ZINC000066609447 1408866592 /nfs/dbraw/zinc/86/65/92/1408866592.db2.gz ARNICDUORDECAK-UHFFFAOYSA-N -1 3 398.460 3.426 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c(=O)[n-]1 ZINC000066663650 1408879547 /nfs/dbraw/zinc/87/95/47/1408879547.db2.gz QGHFNJTZSOXGND-UHFFFAOYSA-N -1 3 393.491 3.110 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1ccc2ncccc2c1 ZINC000066753061 1408900412 /nfs/dbraw/zinc/90/04/12/1408900412.db2.gz QVKVEIPUMHJIQC-UHFFFAOYSA-N -1 3 377.433 3.105 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000066766653 1408906809 /nfs/dbraw/zinc/90/68/09/1408906809.db2.gz VDWQEDVETLURSI-UHFFFAOYSA-N -1 3 394.407 3.404 20 0 GGADHM CCc1cc2c(CN3CCN(C(=O)C4CCCCC4)CC3)cc(=O)oc2cc1[O-] ZINC000066866992 1408935970 /nfs/dbraw/zinc/93/59/70/1408935970.db2.gz HFBVGDCMDBUGKY-UHFFFAOYSA-N -1 3 398.503 3.286 20 0 GGADHM CCCNC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000066887854 1408941075 /nfs/dbraw/zinc/94/10/75/1408941075.db2.gz ZVVOQNFDDAGBGJ-LFIBNONCSA-N -1 3 383.835 3.203 20 0 GGADHM Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000067034844 1408988202 /nfs/dbraw/zinc/98/82/02/1408988202.db2.gz NZTSOHWDUAESNR-UHFFFAOYSA-N -1 3 392.440 3.324 20 0 GGADHM CCCc1nnc([N-]C(=O)c2nnn(-c3cccc4cccnc43)c2C)s1 ZINC000067135370 1409017639 /nfs/dbraw/zinc/01/76/39/1409017639.db2.gz IOQOLKJIYQTBIK-UHFFFAOYSA-N -1 3 379.449 3.180 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1-c1cccc2cccnc21 ZINC000067135248 1409017703 /nfs/dbraw/zinc/01/77/03/1409017703.db2.gz QFESHRCRPPCREU-UHFFFAOYSA-N -1 3 393.476 3.426 20 0 GGADHM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145474 1409021206 /nfs/dbraw/zinc/02/12/06/1409021206.db2.gz WTZAGICORLUDMX-UHFFFAOYSA-N -1 3 385.855 3.436 20 0 GGADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)cc2[nH]1 ZINC000176581081 1428369802 /nfs/dbraw/zinc/36/98/02/1428369802.db2.gz XWHRFBMYZJSLDW-UHFFFAOYSA-N -1 3 398.492 3.296 20 0 GGADHM CCOc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C ZINC000067346292 1409080273 /nfs/dbraw/zinc/08/02/73/1409080273.db2.gz NTKHTDRKIGVRBN-UHFFFAOYSA-N -1 3 383.448 3.089 20 0 GGADHM CSCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000067349963 1409081253 /nfs/dbraw/zinc/08/12/53/1409081253.db2.gz JSTOTDWIOLYFHW-UHFFFAOYSA-N -1 3 385.489 3.245 20 0 GGADHM O=C(C[C@@H]1CCCCO1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176594455 1428373640 /nfs/dbraw/zinc/37/36/40/1428373640.db2.gz FTLWRXFAKFPYLR-HNNXBMFYSA-N -1 3 380.872 3.182 20 0 GGADHM O=C(C[C@H]1CCCCO1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176594469 1428373681 /nfs/dbraw/zinc/37/36/81/1428373681.db2.gz FTLWRXFAKFPYLR-OAHLLOKOSA-N -1 3 380.872 3.182 20 0 GGADHM N=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc([O-])c(Cl)c2)N1)OCCCO4 ZINC000067438689 1409117603 /nfs/dbraw/zinc/11/76/03/1409117603.db2.gz QBPQUAYDMZRXHW-INIZCTEOSA-N -1 3 385.811 3.053 20 0 GGADHM CC(C)(C)SCCNC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000067469498 1409129711 /nfs/dbraw/zinc/12/97/11/1409129711.db2.gz LBDNDJJTNCPULR-UHFFFAOYSA-N -1 3 392.294 3.064 20 0 GGADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000067496992 1409137291 /nfs/dbraw/zinc/13/72/91/1409137291.db2.gz SKIDZQWKZJYYRN-UHFFFAOYSA-N -1 3 383.370 3.376 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)CCOc2ccccc2Cl)o1 ZINC000067688229 1409207513 /nfs/dbraw/zinc/20/75/13/1409207513.db2.gz YOEDRIWPYLQUJJ-UHFFFAOYSA-N -1 3 393.871 3.005 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000176627751 1428384254 /nfs/dbraw/zinc/38/42/54/1428384254.db2.gz IWZOSIBWWHDJTH-UHFFFAOYSA-N -1 3 398.850 3.413 20 0 GGADHM O=C(CCc1cscn1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628551 1428384377 /nfs/dbraw/zinc/38/43/77/1428384377.db2.gz JOFACCURNPVAGC-UHFFFAOYSA-N -1 3 393.896 3.312 20 0 GGADHM C[C@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000067774566 1409227405 /nfs/dbraw/zinc/22/74/05/1409227405.db2.gz LNTVAMCWMGDHFN-NSHDSACASA-N -1 3 397.353 3.039 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000176629124 1428384949 /nfs/dbraw/zinc/38/49/49/1428384949.db2.gz ICTJNTYDPQTZMW-UHFFFAOYSA-N -1 3 398.850 3.413 20 0 GGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000067899576 1409252397 /nfs/dbraw/zinc/25/23/97/1409252397.db2.gz DFYHTZYTULGTGN-UHFFFAOYSA-N -1 3 376.503 3.278 20 0 GGADHM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1ccc(Cl)nc1Cl ZINC000067950235 1409262513 /nfs/dbraw/zinc/26/25/13/1409262513.db2.gz LVCBOQVZSUKLTQ-UHFFFAOYSA-N -1 3 392.333 3.245 20 0 GGADHM CCO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000067953427 1409263023 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20 0 GGADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1ccc(F)c(F)c1F ZINC000069090862 1409563345 /nfs/dbraw/zinc/56/33/45/1409563345.db2.gz HXEYRXFCMMHMQW-OAHLLOKOSA-N -1 3 384.423 3.219 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)N2CCCC2)c1 ZINC000069098792 1409564428 /nfs/dbraw/zinc/56/44/28/1409564428.db2.gz HMZCIGJKGZXDMW-GOSISDBHSA-N -1 3 396.459 3.089 20 0 GGADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000069121318 1409571863 /nfs/dbraw/zinc/57/18/63/1409571863.db2.gz HFGOQHQXUQRANZ-QGZVFWFLSA-N -1 3 386.477 3.257 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc3ccc(Cl)cc3[nH]2)o1 ZINC000069298086 1409609073 /nfs/dbraw/zinc/60/90/73/1409609073.db2.gz YANYIWGOAUMMLO-UHFFFAOYSA-N -1 3 388.855 3.331 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cnc(-c3ccccc3)s2)o1 ZINC000069298172 1409609206 /nfs/dbraw/zinc/60/92/06/1409609206.db2.gz AICWVKMEYHVOFX-UHFFFAOYSA-N -1 3 398.488 3.320 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000069298243 1409609219 /nfs/dbraw/zinc/60/92/19/1409609219.db2.gz BIXNQGJKTRZICO-QWHCGFSZSA-N -1 3 389.418 3.251 20 0 GGADHM O=C(CCc1cccc(OC2CCCC2)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000069385536 1409625735 /nfs/dbraw/zinc/62/57/35/1409625735.db2.gz HXEIYBKCZPQFPI-UHFFFAOYSA-N -1 3 396.487 3.192 20 0 GGADHM Cc1ccnc(NC(=O)CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000069445386 1409635529 /nfs/dbraw/zinc/63/55/29/1409635529.db2.gz NXIZIZJNFLXBRG-UHFFFAOYSA-N -1 3 389.455 3.397 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C)[nH]c3=O)cc2)cc1 ZINC000069644129 1409667398 /nfs/dbraw/zinc/66/73/98/1409667398.db2.gz MMBHGIAIXHTYAM-UHFFFAOYSA-N -1 3 397.456 3.045 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc(OCc3ccccc3C)c2)c(=O)[n-]1 ZINC000069746727 1409690004 /nfs/dbraw/zinc/69/00/04/1409690004.db2.gz PVROTZCBUZFLMP-UHFFFAOYSA-N -1 3 377.444 3.455 20 0 GGADHM CCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000069747031 1409690331 /nfs/dbraw/zinc/69/03/31/1409690331.db2.gz 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O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000070730793 1409761295 /nfs/dbraw/zinc/76/12/95/1409761295.db2.gz NMWWUPDVZACKQY-UHFFFAOYSA-N -1 3 393.407 3.018 20 0 GGADHM COc1ccc(S(=O)(=O)C(F)(F)F)cc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000070814864 1409782851 /nfs/dbraw/zinc/78/28/51/1409782851.db2.gz AFBMYXCGMBODEL-UHFFFAOYSA-N -1 3 392.355 3.352 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000071955683 1409833371 /nfs/dbraw/zinc/83/33/71/1409833371.db2.gz XVJNMUOIIXUBQY-DLBZAZTESA-N -1 3 384.863 3.134 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc([O-])cc1 ZINC000071961874 1409834047 /nfs/dbraw/zinc/83/40/47/1409834047.db2.gz BFAWYLJPCCLJEI-HZPDHXFCSA-N -1 3 392.377 3.061 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1OC ZINC000072005612 1409835928 /nfs/dbraw/zinc/83/59/28/1409835928.db2.gz KHGZZFJUVTXPAB-CVEARBPZSA-N -1 3 392.452 3.338 20 0 GGADHM Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ncccc3[O-])c12 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393.443 3.198 20 0 GGADHM CCN(Cc1ccccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1)C(C)=O ZINC000097600686 1410384079 /nfs/dbraw/zinc/38/40/79/1410384079.db2.gz STAFWVYTHIOEIS-UHFFFAOYSA-N -1 3 394.468 3.015 20 0 GGADHM C=CC(=O)NCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000098098458 1410414106 /nfs/dbraw/zinc/41/41/06/1410414106.db2.gz JHXDHWIIOXIZGQ-UHFFFAOYSA-N -1 3 375.222 3.209 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCCC1 ZINC000101521615 1410446183 /nfs/dbraw/zinc/44/61/83/1410446183.db2.gz VAEJYHVMMYWVQO-UHFFFAOYSA-N -1 3 399.491 3.486 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1OC(F)F ZINC000101579624 1410471621 /nfs/dbraw/zinc/47/16/21/1410471621.db2.gz YMVBDODOGYAQMV-UHFFFAOYSA-N -1 3 393.358 3.096 20 0 GGADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nc(-c2ccccc2)c[nH]1 ZINC000101601615 1410475580 /nfs/dbraw/zinc/47/55/80/1410475580.db2.gz YNIFLTKOMJIKRX-INIZCTEOSA-N -1 3 389.415 3.233 20 0 GGADHM Cc1cccc(-n2cc(C(=O)[N-]c3n[nH]c(-c4ccccc4Cl)n3)nn2)c1 ZINC000101643214 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ZINC000110336226 1411845523 /nfs/dbraw/zinc/84/55/23/1411845523.db2.gz FTCBEIQIAXNNQE-MRXNPFEDSA-N -1 3 390.440 3.087 20 0 GGADHM COc1ccc(-c2nc(CNC(=O)c3c([O-])cc(Cl)cc3Cl)n[nH]2)cc1 ZINC000177149457 1428600770 /nfs/dbraw/zinc/60/07/70/1428600770.db2.gz KPTFLUTYABYEDV-UHFFFAOYSA-N -1 3 393.230 3.423 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000110542435 1411856831 /nfs/dbraw/zinc/85/68/31/1411856831.db2.gz WMBUDFWFOMNXFT-UHFFFAOYSA-N -1 3 383.297 3.139 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC[C@@H]1CCCCO1 ZINC000110719644 1411865635 /nfs/dbraw/zinc/86/56/35/1411865635.db2.gz VNBWMGMZCKLXIG-LBPRGKRZSA-N -1 3 394.415 3.365 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000111212756 1411895793 /nfs/dbraw/zinc/89/57/93/1411895793.db2.gz CWWWJXODYBSNAP-MRXNPFEDSA-N -1 3 394.880 3.228 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H](CC)O[C@@H](C)C3)nc(=O)c2c1C ZINC000111272739 1411899072 /nfs/dbraw/zinc/89/90/72/1411899072.db2.gz CJIUADLUYPAPKW-WCFLWFBJSA-N -1 3 393.509 3.030 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)cc1Cl ZINC000111349887 1411919690 /nfs/dbraw/zinc/91/96/90/1411919690.db2.gz LZHNQBWTBNCNHH-ZDUSSCGKSA-N -1 3 396.871 3.446 20 0 GGADHM CCCCCCN(C)CC(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000111557215 1411991013 /nfs/dbraw/zinc/99/10/13/1411991013.db2.gz KJQQVIPFZRIVCY-UHFFFAOYSA-N -1 3 382.559 3.360 20 0 GGADHM CCCOc1ccc([C@H](C)NC(=O)c2nnc3ccccc3c2[O-])cc1OC ZINC000111568912 1411992665 /nfs/dbraw/zinc/99/26/65/1411992665.db2.gz CFOHPWARXQVGMG-ZDUSSCGKSA-N -1 3 381.432 3.212 20 0 GGADHM CC[C@H](C)[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2[nH]1 ZINC000111575018 1411995341 /nfs/dbraw/zinc/99/53/41/1411995341.db2.gz ZRXDDHAYHDTCMU-SJCJKPOMSA-N -1 3 375.432 3.317 20 0 GGADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1NC(=O)c1ccco1 ZINC000111577440 1411995596 /nfs/dbraw/zinc/99/55/96/1411995596.db2.gz ZGQIDBIGFYHAPO-UHFFFAOYSA-N -1 3 388.383 3.329 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000111590789 1411997264 /nfs/dbraw/zinc/99/72/64/1411997264.db2.gz JKWBWLBFUXRAPS-UHFFFAOYSA-N -1 3 394.500 3.033 20 0 GGADHM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4n[n-]c5ccccc5c4=O)C3)[nH]c2c1 ZINC000111591034 1411997296 /nfs/dbraw/zinc/99/72/96/1411997296.db2.gz GFLUEYAYABUFGC-CQSZACIVSA-N -1 3 387.443 3.128 20 0 GGADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000111593539 1411998116 /nfs/dbraw/zinc/99/81/16/1411998116.db2.gz ZKJMWPKEJUNVGT-SFHVURJKSA-N -1 3 387.443 3.270 20 0 GGADHM COc1ccc(Cl)cc1-c1cc(NC(=O)c2nnc3ccccc3c2[O-])n[nH]1 ZINC000111593282 1411998234 /nfs/dbraw/zinc/99/82/34/1411998234.db2.gz UHACJWDSQSPZRP-UHFFFAOYSA-N -1 3 395.806 3.228 20 0 GGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC000111608838 1412001526 /nfs/dbraw/zinc/00/15/26/1412001526.db2.gz LUBCIQAMOPISNK-CYBMUJFWSA-N -1 3 383.473 3.090 20 0 GGADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC000111608836 1412001850 /nfs/dbraw/zinc/00/18/50/1412001850.db2.gz LUBCIQAMOPISNK-ZDUSSCGKSA-N -1 3 383.473 3.090 20 0 GGADHM CN(CCc1ccc(Br)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000111614690 1412002246 /nfs/dbraw/zinc/00/22/46/1412002246.db2.gz COHZWNCNZXYWDY-UHFFFAOYSA-N -1 3 386.249 3.000 20 0 GGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3n[nH]cc3Br)s2)cc1 ZINC000111618331 1412003027 /nfs/dbraw/zinc/00/30/27/1412003027.db2.gz OSXHJFISFJRXCY-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000111641360 1412006009 /nfs/dbraw/zinc/00/60/09/1412006009.db2.gz LBPQKYUQESHHCP-INIZCTEOSA-N -1 3 383.231 3.121 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](N2CCCC2=O)C1 ZINC000111648977 1412008250 /nfs/dbraw/zinc/00/82/50/1412008250.db2.gz WIMIWQSJRTUBFI-LJQANCHMSA-N -1 3 378.472 3.210 20 0 GGADHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1NC(=O)C(C)(C)C ZINC000111648496 1412008482 /nfs/dbraw/zinc/00/84/82/1412008482.db2.gz GJGFSONYGLSISI-UHFFFAOYSA-N -1 3 378.432 3.468 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1C ZINC000111994869 1412064023 /nfs/dbraw/zinc/06/40/23/1412064023.db2.gz XITUXVWILLORIT-MRXNPFEDSA-N -1 3 390.505 3.198 20 0 GGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000111994978 1412064503 /nfs/dbraw/zinc/06/45/03/1412064503.db2.gz BMYKDOICIKSYEF-OAHLLOKOSA-N -1 3 378.469 3.328 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCNC3=O)ccc2Cl)c(F)c1 ZINC000112266721 1412110439 /nfs/dbraw/zinc/11/04/39/1412110439.db2.gz MCZKPMRVJQGTNH-UHFFFAOYSA-N -1 3 383.832 3.118 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCCC2)c1 ZINC000112618780 1412179679 /nfs/dbraw/zinc/17/96/79/1412179679.db2.gz DVVBAPKLFJRFKP-UHFFFAOYSA-N -1 3 398.481 3.125 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc3[nH]ccc3c2)cc1 ZINC000112862009 1412227011 /nfs/dbraw/zinc/22/70/11/1412227011.db2.gz IAXNFYRKYBHNQG-UHFFFAOYSA-N -1 3 387.461 3.336 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(C(C)(C)C)o2)ccc1F ZINC000113474719 1412308972 /nfs/dbraw/zinc/30/89/72/1412308972.db2.gz RVNBAXQBUAMGFB-UHFFFAOYSA-N -1 3 398.456 3.155 20 0 GGADHM C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccnc1 ZINC000113474484 1412309070 /nfs/dbraw/zinc/30/90/70/1412309070.db2.gz LXCZNVHBCSZXES-GFCCVEGCSA-N -1 3 380.441 3.216 20 0 GGADHM Cc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)c(CN(C)C)c1 ZINC000113912647 1412350827 /nfs/dbraw/zinc/35/08/27/1412350827.db2.gz JJSLKTCMTSEAIY-UHFFFAOYSA-N -1 3 396.516 3.458 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1 ZINC000114054190 1412378114 /nfs/dbraw/zinc/37/81/14/1412378114.db2.gz OAMPRHJKXIGXOE-UHFFFAOYSA-N -1 3 376.478 3.034 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCn3ccnc3C(C)C)c2)n1 ZINC000114172189 1412386985 /nfs/dbraw/zinc/38/69/85/1412386985.db2.gz YRIBBDUJSXSFAW-UHFFFAOYSA-N -1 3 379.464 3.348 20 0 GGADHM CCn1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cn1 ZINC000114313611 1412411974 /nfs/dbraw/zinc/41/19/74/1412411974.db2.gz GDVRFDQLLZKOAG-UHFFFAOYSA-N -1 3 384.461 3.265 20 0 GGADHM Cc1ccc(OCc2cccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2)cn1 ZINC000114319807 1412413879 /nfs/dbraw/zinc/41/38/79/1412413879.db2.gz IRZAGZAZUVSOHL-UHFFFAOYSA-N -1 3 377.326 3.358 20 0 GGADHM Cc1ccc(OCc2cccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2)cn1 ZINC000114319807 1412413883 /nfs/dbraw/zinc/41/38/83/1412413883.db2.gz IRZAGZAZUVSOHL-UHFFFAOYSA-N -1 3 377.326 3.358 20 0 GGADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1OC ZINC000114496883 1412445784 /nfs/dbraw/zinc/44/57/84/1412445784.db2.gz KADZBPJPPAKBID-MRVPVSSYSA-N -1 3 393.358 3.300 20 0 GGADHM O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1c[n-]c2ccccc2c1=O ZINC000114695522 1412501767 /nfs/dbraw/zinc/50/17/67/1412501767.db2.gz OTTVZBNKBSLUAK-UHFFFAOYSA-N -1 3 394.818 3.204 20 0 GGADHM COc1ccc(CCN(CC(C)(C)C)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000115125319 1412592484 /nfs/dbraw/zinc/59/24/84/1412592484.db2.gz DGZNFOFESVQLJU-UHFFFAOYSA-N -1 3 399.535 3.445 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C(C)(C)C)c2)cc1 ZINC000115240627 1412618397 /nfs/dbraw/zinc/61/83/97/1412618397.db2.gz OHWMTPKXKFCFIH-UHFFFAOYSA-N -1 3 376.478 3.158 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C3CCCC3)c2)cc1 ZINC000115240634 1412618567 /nfs/dbraw/zinc/61/85/67/1412618567.db2.gz ZWSUMTOLOIGLCN-UHFFFAOYSA-N -1 3 388.489 3.302 20 0 GGADHM CC[C@H](C)C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240610 1412619060 /nfs/dbraw/zinc/61/90/60/1412619060.db2.gz OXJRHUKVRIVAPQ-AWEZNQCLSA-N -1 3 376.478 3.158 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1OC ZINC000115340325 1412653504 /nfs/dbraw/zinc/65/35/04/1412653504.db2.gz DOERBZBJKVRIAX-UHFFFAOYSA-N -1 3 392.452 3.266 20 0 GGADHM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571329 1412716830 /nfs/dbraw/zinc/71/68/30/1412716830.db2.gz XNQGYPBNTGPOLX-IBGZPJMESA-N -1 3 378.428 3.126 20 0 GGADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)c2ccccn2)cc1 ZINC000115591401 1412722921 /nfs/dbraw/zinc/72/29/21/1412722921.db2.gz DEPOBNHYDGIAMM-MRXNPFEDSA-N -1 3 390.896 3.039 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cccc(Br)c2)cc1 ZINC000115601020 1412729210 /nfs/dbraw/zinc/72/92/10/1412729210.db2.gz ALWCKUMXWBVZHC-UHFFFAOYSA-N -1 3 384.251 3.178 20 0 GGADHM N#CCCN(C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(Cl)c1 ZINC000115646846 1412743956 /nfs/dbraw/zinc/74/39/56/1412743956.db2.gz DEIKSMJMKDRIKO-UHFFFAOYSA-N -1 3 398.806 3.427 20 0 GGADHM N#CCCN(C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(Cl)c1 ZINC000115646846 1412743967 /nfs/dbraw/zinc/74/39/67/1412743967.db2.gz DEIKSMJMKDRIKO-UHFFFAOYSA-N -1 3 398.806 3.427 20 0 GGADHM COc1ccc([C@@H](NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)C2CC2)cc1 ZINC000115646806 1412745089 /nfs/dbraw/zinc/74/50/89/1412745089.db2.gz SOOCNACDDYDZTB-FQEVSTJZSA-N -1 3 395.415 3.103 20 0 GGADHM COc1ccc([C@@H](NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)C2CC2)cc1 ZINC000115646806 1412745100 /nfs/dbraw/zinc/74/51/00/1412745100.db2.gz SOOCNACDDYDZTB-FQEVSTJZSA-N -1 3 395.415 3.103 20 0 GGADHM Cc1ccc(C[C@@H](NC(=O)c2nnc3ccccc3c2[O-])c2ccccn2)cc1 ZINC000115723723 1412773708 /nfs/dbraw/zinc/77/37/08/1412773708.db2.gz XKILHKWTLCFGJD-HXUWFJFHSA-N -1 3 384.439 3.340 20 0 GGADHM Cc1cccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000115857832 1412803202 /nfs/dbraw/zinc/80/32/02/1412803202.db2.gz FEMUZKNDIBPJBH-KRWDZBQOSA-N -1 3 381.476 3.238 20 0 GGADHM Cc1cccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000115857520 1412803213 /nfs/dbraw/zinc/80/32/13/1412803213.db2.gz JWBWYAOQYINTGJ-KRWDZBQOSA-N -1 3 381.476 3.238 20 0 GGADHM COc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000116096939 1412831575 /nfs/dbraw/zinc/83/15/75/1412831575.db2.gz DXAJNQABMORXPX-UHFFFAOYSA-N -1 3 398.850 3.374 20 0 GGADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000116358061 1412852413 /nfs/dbraw/zinc/85/24/13/1412852413.db2.gz BQSRHUPOKRTVSX-AWEZNQCLSA-N -1 3 380.460 3.469 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000116452990 1412862412 /nfs/dbraw/zinc/86/24/12/1412862412.db2.gz JIJWZISPBOCKSN-MHZLTWQESA-N -1 3 383.473 3.223 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cn4cccc(C)c4n3)c2)n1 ZINC000116487302 1412867119 /nfs/dbraw/zinc/86/71/19/1412867119.db2.gz BHLGFCZYWJERFB-UHFFFAOYSA-N -1 3 387.443 3.137 20 0 GGADHM O=C(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])Nc1ccncc1 ZINC000116717329 1412902434 /nfs/dbraw/zinc/90/24/34/1412902434.db2.gz RQFYIBJBCVUKNG-UHFFFAOYSA-N -1 3 375.428 3.137 20 0 GGADHM CCn1c(=O)c2ccc(C(=O)Nc3cc(CN(C)C)ccc3C)cc2[n-]c1=S ZINC000177321353 1428688303 /nfs/dbraw/zinc/68/83/03/1428688303.db2.gz UALINTDPFMDZGD-UHFFFAOYSA-N -1 3 396.516 3.327 20 0 GGADHM COCCOC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000116981392 1412970854 /nfs/dbraw/zinc/97/08/54/1412970854.db2.gz CIKUPDXLUZWBKT-UHFFFAOYSA-N -1 3 383.488 3.445 20 0 GGADHM Cc1ccc(OC2CCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000116980981 1412970893 /nfs/dbraw/zinc/97/08/93/1412970893.db2.gz NFIPUWPIAYXZMN-UHFFFAOYSA-N -1 3 396.487 3.199 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCCC(C)(C)CC1 ZINC000735570561 1428690914 /nfs/dbraw/zinc/69/09/14/1428690914.db2.gz NRUCQVZXTYHMOJ-LBPRGKRZSA-N -1 3 388.541 3.256 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCCC(C)(C)CC1 ZINC000735570561 1428690921 /nfs/dbraw/zinc/69/09/21/1428690921.db2.gz NRUCQVZXTYHMOJ-LBPRGKRZSA-N -1 3 388.541 3.256 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(-n4cncn4)cc3)cc2)co1 ZINC000117227832 1413013803 /nfs/dbraw/zinc/01/38/03/1413013803.db2.gz RMPVENBERXMQID-UHFFFAOYSA-N -1 3 381.417 3.032 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)c(C)c1C ZINC000117228394 1413014737 /nfs/dbraw/zinc/01/47/37/1413014737.db2.gz SMMNSTOBOORUBQ-UHFFFAOYSA-N -1 3 388.489 3.313 20 0 GGADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1)C(C)=O ZINC000117228180 1413015055 /nfs/dbraw/zinc/01/50/55/1413015055.db2.gz SCOCLOMOWKEKIQ-UHFFFAOYSA-N -1 3 390.505 3.481 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c(C)c1C ZINC000117229563 1413016149 /nfs/dbraw/zinc/01/61/49/1413016149.db2.gz QQFFEBGSVNZKIZ-UHFFFAOYSA-N -1 3 394.468 3.089 20 0 GGADHM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(C)c1 ZINC000117228704 1413016224 /nfs/dbraw/zinc/01/62/24/1413016224.db2.gz RCBAGKVOMOHDLD-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM CCCC[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)on1 ZINC000821043393 1428694684 /nfs/dbraw/zinc/69/46/84/1428694684.db2.gz OPSMWYMCRMUGRX-CZUORRHYSA-N -1 3 383.456 3.011 20 0 GGADHM CCCC[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)on1 ZINC000821043393 1428694686 /nfs/dbraw/zinc/69/46/86/1428694686.db2.gz OPSMWYMCRMUGRX-CZUORRHYSA-N -1 3 383.456 3.011 20 0 GGADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(O)c3C)cc2F)c1 ZINC000177354208 1428702501 /nfs/dbraw/zinc/70/25/01/1428702501.db2.gz PSGRBMSINVHNCJ-UHFFFAOYSA-N -1 3 375.425 3.443 20 0 GGADHM O=C(Cc1ccc(O)cc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000177347212 1428700904 /nfs/dbraw/zinc/70/09/04/1428700904.db2.gz JXZYTUIFWWGNBQ-UHFFFAOYSA-N -1 3 388.851 3.171 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c(C)c1C ZINC000118161460 1413117715 /nfs/dbraw/zinc/11/77/15/1413117715.db2.gz AIDBTXSRQQMGIB-UHFFFAOYSA-N -1 3 375.425 3.438 20 0 GGADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118317116 1413148855 /nfs/dbraw/zinc/14/88/55/1413148855.db2.gz GQXHVVFWSBPEQN-AWEZNQCLSA-N -1 3 390.443 3.190 20 0 GGADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118316068 1413149148 /nfs/dbraw/zinc/14/91/48/1413149148.db2.gz QBPJASFQADOROR-UHFFFAOYSA-N -1 3 392.459 3.438 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1nnc2ccccc2c1[O-] ZINC000118318458 1413149620 /nfs/dbraw/zinc/14/96/20/1413149620.db2.gz KUGARZYNGDDIBP-UHFFFAOYSA-N -1 3 382.326 3.325 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1nnc2ccccc2c1[O-] ZINC000118319361 1413149668 /nfs/dbraw/zinc/14/96/68/1413149668.db2.gz RBIJVKLNAIGXKF-CYBMUJFWSA-N -1 3 399.834 3.387 20 0 GGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1nnc2ccccc2c1[O-] ZINC000118319455 1413149717 /nfs/dbraw/zinc/14/97/17/1413149717.db2.gz IENSSJIHGDYKSJ-CQSZACIVSA-N -1 3 379.416 3.123 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1nnc2ccccc2c1[O-] ZINC000118319358 1413149929 /nfs/dbraw/zinc/14/99/29/1413149929.db2.gz RBIJVKLNAIGXKF-ZDUSSCGKSA-N -1 3 399.834 3.387 20 0 GGADHM CC(C)(C)c1cc(NC(=O)c2nnc3ccccc3c2[O-])n(-c2ccccn2)n1 ZINC000118333511 1413152265 /nfs/dbraw/zinc/15/22/65/1413152265.db2.gz CPJFPPMVUQNXCW-UHFFFAOYSA-N -1 3 388.431 3.054 20 0 GGADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000118338092 1413152412 /nfs/dbraw/zinc/15/24/12/1413152412.db2.gz MCPVDXAJFJHWRZ-UHFFFAOYSA-N -1 3 398.850 3.309 20 0 GGADHM O=C1OCc2ccc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)cc21 ZINC000118435483 1413161213 /nfs/dbraw/zinc/16/12/13/1413161213.db2.gz OMIBUMKOUIFAQJ-AWEZNQCLSA-N -1 3 389.326 3.078 20 0 GGADHM COc1ccc(-c2csc(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)cc1 ZINC000177366147 1428705925 /nfs/dbraw/zinc/70/59/25/1428705925.db2.gz UCACXZUBEVGTBV-UHFFFAOYSA-N -1 3 397.500 3.373 20 0 GGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000118664445 1413202820 /nfs/dbraw/zinc/20/28/20/1413202820.db2.gz KAJCZHNMUORUSV-IGCXYCKISA-N -1 3 380.485 3.060 20 0 GGADHM C[C@@H]1CN(CC2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)C[C@@H](C)O1 ZINC000118784938 1413220607 /nfs/dbraw/zinc/22/06/07/1413220607.db2.gz SPVPEPNPVFTSNP-ZIAGYGMSSA-N -1 3 389.521 3.078 20 0 GGADHM CCc1cc2c(CN3CCN([C@@H](C)c4cccnc4)CC3)cc(=O)oc2cc1[O-] ZINC000118835601 1413237035 /nfs/dbraw/zinc/23/70/35/1413237035.db2.gz DWUCPRFDLMANMW-INIZCTEOSA-N -1 3 393.487 3.335 20 0 GGADHM Cn1cnnc1C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000177396151 1428717142 /nfs/dbraw/zinc/71/71/42/1428717142.db2.gz CPOGUWFBYVJGNU-UHFFFAOYSA-N -1 3 378.432 3.333 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3)c2)s1 ZINC000119120149 1413344658 /nfs/dbraw/zinc/34/46/58/1413344658.db2.gz JGQLQZQAHZZHLS-ZDUSSCGKSA-N -1 3 394.518 3.174 20 0 GGADHM O=S1(=O)[N-]C(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)=Nc2ccccc21 ZINC000119125334 1413347337 /nfs/dbraw/zinc/34/73/37/1413347337.db2.gz CDWGSTBICMPXPT-QZTJIDSGSA-N -1 3 383.517 3.400 20 0 GGADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1nnc2ccccc2c1[O-] ZINC000119146025 1413355020 /nfs/dbraw/zinc/35/50/20/1413355020.db2.gz KEWYVCOMVXCARH-GOSISDBHSA-N -1 3 390.830 3.491 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1cccc(COCc3ccco3)c1)c2[O-] ZINC000119161625 1413360125 /nfs/dbraw/zinc/36/01/25/1413360125.db2.gz VDBRNYPQRHQOCA-UHFFFAOYSA-N -1 3 378.388 3.236 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1nnc(-c3ccccc3Cl)s1)c2[O-] ZINC000119176309 1413365830 /nfs/dbraw/zinc/36/58/30/1413365830.db2.gz SBZPZJZIWCNTQO-UHFFFAOYSA-N -1 3 386.824 3.098 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H](CC(C)C)C3)nc(=O)c2c1C ZINC000119184786 1413368898 /nfs/dbraw/zinc/36/88/98/1413368898.db2.gz IAXWWZFIDJJNRU-CYBMUJFWSA-N -1 3 377.510 3.338 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N(CCc1ccc(F)cc1)C1CCCC1)c2[O-] ZINC000119188910 1413370161 /nfs/dbraw/zinc/37/01/61/1413370161.db2.gz KYZGXCARVYHMFA-UHFFFAOYSA-N -1 3 382.439 3.441 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177413515 1428725723 /nfs/dbraw/zinc/72/57/23/1428725723.db2.gz LGBYMXMYKISPIC-UHFFFAOYSA-N -1 3 384.860 3.050 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)c1nnc2ccccc2c1[O-])C(C)C ZINC000119315110 1413409436 /nfs/dbraw/zinc/40/94/36/1413409436.db2.gz OGPAMAGTQXLGAY-UHFFFAOYSA-N -1 3 392.459 3.436 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](O)c1ccc(F)cc1 ZINC000119329541 1413413734 /nfs/dbraw/zinc/41/37/34/1413413734.db2.gz OPQMQCVIGYWWSK-BJOHPYRUSA-N -1 3 395.349 3.384 20 0 GGADHM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000119663304 1413520587 /nfs/dbraw/zinc/52/05/87/1413520587.db2.gz ZFPHCOJQOJULTN-LBPRGKRZSA-N -1 3 382.457 3.329 20 0 GGADHM CCCOc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177431708 1428734873 /nfs/dbraw/zinc/73/48/73/1428734873.db2.gz GNKXJYSIDVLNEE-UHFFFAOYSA-N -1 3 380.441 3.083 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)ccc1F ZINC000177433314 1428735423 /nfs/dbraw/zinc/73/54/23/1428735423.db2.gz XCDLCKOJSSHJSW-INIZCTEOSA-N -1 3 396.871 3.365 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000119737664 1413550305 /nfs/dbraw/zinc/55/03/05/1413550305.db2.gz PEZQLOOBJFQJSV-CQSZACIVSA-N -1 3 383.427 3.313 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000119771130 1413562533 /nfs/dbraw/zinc/56/25/33/1413562533.db2.gz QTHKJWIUTXZNLS-PXNSSMCTSA-N -1 3 396.487 3.105 20 0 GGADHM Cc1[nH]c2ccc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1C ZINC000119832676 1413586508 /nfs/dbraw/zinc/58/65/08/1413586508.db2.gz JLMUVGAKNUWWRV-UHFFFAOYSA-N -1 3 377.444 3.089 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cccc(OC(C)C)c2)c(F)cc1F ZINC000120031439 1413661231 /nfs/dbraw/zinc/66/12/31/1413661231.db2.gz RKRRIKMNJAUDSR-QGZVFWFLSA-N -1 3 385.432 3.072 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2cccc(OC(C)C)c2)cc1F ZINC000120035419 1413662527 /nfs/dbraw/zinc/66/25/27/1413662527.db2.gz XRTRKUVMBFAOBZ-QGZVFWFLSA-N -1 3 385.432 3.072 20 0 GGADHM CC(C)Oc1cccc([C@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000120050059 1413668107 /nfs/dbraw/zinc/66/81/07/1413668107.db2.gz CRAFBYWDXSGORN-OAHLLOKOSA-N -1 3 387.860 3.278 20 0 GGADHM O=C(NCCc1nc(C2CCCCC2)cs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000120099465 1413687378 /nfs/dbraw/zinc/68/73/78/1413687378.db2.gz DZTTZAASQGOWPH-UHFFFAOYSA-N -1 3 383.473 3.047 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(OC(C)C)cc2)c(F)cc1F ZINC000120117240 1413694243 /nfs/dbraw/zinc/69/42/43/1413694243.db2.gz OSEPQBVKEMIFHV-QGZVFWFLSA-N -1 3 385.432 3.072 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000120131198 1413700300 /nfs/dbraw/zinc/70/03/00/1413700300.db2.gz NSVIJDRWQXDOFX-INIZCTEOSA-N -1 3 387.860 3.278 20 0 GGADHM CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000120136107 1413702231 /nfs/dbraw/zinc/70/22/31/1413702231.db2.gz MDWZJUWWOVGEQM-OAHLLOKOSA-N -1 3 387.860 3.278 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000177464606 1428748788 /nfs/dbraw/zinc/74/87/88/1428748788.db2.gz BJBNPQNEMZZPCL-LBPRGKRZSA-N -1 3 396.509 3.337 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)ccc1F ZINC000177465164 1428748802 /nfs/dbraw/zinc/74/88/02/1428748802.db2.gz MWQKAROMITYWNI-SFHVURJKSA-N -1 3 376.453 3.005 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)ccc1F ZINC000177465207 1428748847 /nfs/dbraw/zinc/74/88/47/1428748847.db2.gz PZRZZUKYIXRCBN-SFHVURJKSA-N -1 3 394.443 3.144 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(F)c1I ZINC000120336087 1413791325 /nfs/dbraw/zinc/79/13/25/1413791325.db2.gz ONFRPPKUOCCCOZ-JTQLQIEISA-N -1 3 380.157 3.010 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(F)c1I ZINC000120336087 1413791334 /nfs/dbraw/zinc/79/13/34/1413791334.db2.gz ONFRPPKUOCCCOZ-JTQLQIEISA-N -1 3 380.157 3.010 20 0 GGADHM CSCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000120546499 1413840595 /nfs/dbraw/zinc/84/05/95/1413840595.db2.gz GJICISRRFHKYTD-ZDUSSCGKSA-N -1 3 396.509 3.498 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000120590382 1413850140 /nfs/dbraw/zinc/85/01/40/1413850140.db2.gz XCPOHEIBXBPSJK-ZDUSSCGKSA-N -1 3 389.883 3.323 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCCCc2ccccc21 ZINC000120653492 1413866923 /nfs/dbraw/zinc/86/69/23/1413866923.db2.gz UKLRIBYTORAZMC-UHFFFAOYSA-N -1 3 388.464 3.250 20 0 GGADHM CCCCN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000120692566 1413876823 /nfs/dbraw/zinc/87/68/23/1413876823.db2.gz ACSSMCGIEBROFO-UHFFFAOYSA-N -1 3 396.406 3.071 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(CN4CCCC4=O)cc3)c[n-]c12 ZINC000120789608 1413903463 /nfs/dbraw/zinc/90/34/63/1413903463.db2.gz ASYFGYMQGMCNQS-UHFFFAOYSA-N -1 3 393.418 3.350 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCSc3ccccc32)ccc1F ZINC000120794083 1413904816 /nfs/dbraw/zinc/90/48/16/1413904816.db2.gz HFYZJHLQNXFWOJ-UHFFFAOYSA-N -1 3 394.493 3.265 20 0 GGADHM Cc1cccc2nc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)cn21 ZINC000120826245 1413917013 /nfs/dbraw/zinc/91/70/13/1413917013.db2.gz MZLDSCQYWQRDCX-UHFFFAOYSA-N -1 3 388.456 3.357 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000120847368 1413925140 /nfs/dbraw/zinc/92/51/40/1413925140.db2.gz QFVYNPUURNHVPA-CQSZACIVSA-N -1 3 376.453 3.499 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccncc3)cc2)cc1 ZINC000120855778 1413927611 /nfs/dbraw/zinc/92/76/11/1413927611.db2.gz CFHFMFPBRSZIMC-UHFFFAOYSA-N -1 3 381.457 3.372 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)ccc1F ZINC000177491953 1428766553 /nfs/dbraw/zinc/76/65/53/1428766553.db2.gz AQECYZBBXISTPO-GDBMZVCRSA-N -1 3 390.480 3.060 20 0 GGADHM COC(=O)c1sc2[n-]c(-c3ccc4cc(OC)ccc4n3)nc(=O)c2c1C ZINC000120889061 1413938700 /nfs/dbraw/zinc/93/87/00/1413938700.db2.gz JWZKXILJSMZLND-UHFFFAOYSA-N -1 3 381.413 3.303 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1ccc(Br)s1 ZINC000120914912 1413946567 /nfs/dbraw/zinc/94/65/67/1413946567.db2.gz HFEADJFAWVPYHR-SNVBAGLBSA-N -1 3 396.715 3.176 20 0 GGADHM COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000120915454 1413946597 /nfs/dbraw/zinc/94/65/97/1413946597.db2.gz FDYAKNXGVHFETA-FXAWDEMLSA-N -1 3 384.476 3.283 20 0 GGADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]C[C@H](O)c1ccccc1Cl ZINC000120920605 1413948421 /nfs/dbraw/zinc/94/84/21/1413948421.db2.gz HHOCTTYPEBGBDX-SFHVURJKSA-N -1 3 392.864 3.148 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000120957419 1413959869 /nfs/dbraw/zinc/95/98/69/1413959869.db2.gz REPRJTMLIMJIMZ-UHFFFAOYSA-N -1 3 392.862 3.388 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000120989272 1413969529 /nfs/dbraw/zinc/96/95/29/1413969529.db2.gz BXZTURPZQIEAFC-UHFFFAOYSA-N -1 3 390.720 3.458 20 0 GGADHM CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000120991787 1413970910 /nfs/dbraw/zinc/97/09/10/1413970910.db2.gz JPWKVVMSICDELI-UHFFFAOYSA-N -1 3 396.422 3.231 20 0 GGADHM CC(C)(C)c1nc2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccc2o1 ZINC000120997287 1413972397 /nfs/dbraw/zinc/97/23/97/1413972397.db2.gz SYKPUXSMNCNTKY-UHFFFAOYSA-N -1 3 385.395 3.225 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000121005130 1413974009 /nfs/dbraw/zinc/97/40/09/1413974009.db2.gz UIPCATRBPIYWCS-UHFFFAOYSA-N -1 3 390.720 3.458 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCc4cccc(F)c43)nc(=O)c2c1C ZINC000121014682 1413977255 /nfs/dbraw/zinc/97/72/55/1413977255.db2.gz MJNJYXPGPKISPA-UHFFFAOYSA-N -1 3 387.436 3.172 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)ccc1F ZINC000177501192 1428771326 /nfs/dbraw/zinc/77/13/26/1428771326.db2.gz LMEYRJKLYVOZJF-SJKOYZFVSA-N -1 3 394.443 3.096 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1Cl ZINC000121052644 1413989640 /nfs/dbraw/zinc/98/96/40/1413989640.db2.gz XHVBHQNHPBPMAA-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCSC(C)(C)C3)nc(=O)c2c1C ZINC000177515672 1428778573 /nfs/dbraw/zinc/77/85/73/1428778573.db2.gz DPUDTVQGOLYYKK-NSHDSACASA-N -1 3 395.550 3.358 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccccc2Br)c(=O)[n-]1 ZINC000121114726 1414013147 /nfs/dbraw/zinc/01/31/47/1414013147.db2.gz GUAMVGBFXBMYTF-INIZCTEOSA-N -1 3 390.281 3.055 20 0 GGADHM C[C@@H](NCCNc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824599425 1428774217 /nfs/dbraw/zinc/77/42/17/1428774217.db2.gz ONRFKEKQRNWGFS-CYBMUJFWSA-N -1 3 377.427 3.317 20 0 GGADHM C[C@@H](NCCNc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824599425 1428774221 /nfs/dbraw/zinc/77/42/21/1428774221.db2.gz ONRFKEKQRNWGFS-CYBMUJFWSA-N -1 3 377.427 3.317 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccn1)c1ccccc1OC ZINC000121213586 1414046309 /nfs/dbraw/zinc/04/63/09/1414046309.db2.gz GXRCDZMGQIEZLN-KRWDZBQOSA-N -1 3 390.486 3.228 20 0 GGADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000121273331 1414067047 /nfs/dbraw/zinc/06/70/47/1414067047.db2.gz ZLSXKHPWLSDGEF-FQEVSTJZSA-N -1 3 381.476 3.257 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCc3nnc(C4CCCC4)o3)c2)n1 ZINC000121385474 1414103957 /nfs/dbraw/zinc/10/39/57/1414103957.db2.gz AKLJSMPJYYPUPH-UHFFFAOYSA-N -1 3 394.431 3.324 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2cccc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC000121399936 1414108185 /nfs/dbraw/zinc/10/81/85/1414108185.db2.gz DZYDEDBKVMGSST-UHFFFAOYSA-N -1 3 377.444 3.428 20 0 GGADHM O=S(=O)([N-]c1cccnc1Br)c1cccc(Br)c1 ZINC000121411829 1414113144 /nfs/dbraw/zinc/11/31/44/1414113144.db2.gz HGZRBBRDAPVUSP-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)n1 ZINC000121429678 1414118930 /nfs/dbraw/zinc/11/89/30/1414118930.db2.gz UBVWBJPHESKFIV-UHFFFAOYSA-N -1 3 394.519 3.148 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c(=O)[n-]1 ZINC000121517307 1414159312 /nfs/dbraw/zinc/15/93/12/1414159312.db2.gz RFHRJTVPZYZMTH-JTQLQIEISA-N -1 3 383.370 3.095 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1F)N1CCCC1 ZINC000121577959 1414184668 /nfs/dbraw/zinc/18/46/68/1414184668.db2.gz ZRGMTYDAEOMCID-UHFFFAOYSA-N -1 3 384.379 3.141 20 0 GGADHM CCOc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000121606393 1414197322 /nfs/dbraw/zinc/19/73/22/1414197322.db2.gz QFBUIFLJOCBLJL-UHFFFAOYSA-N -1 3 392.452 3.226 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)n1 ZINC000121616697 1414202327 /nfs/dbraw/zinc/20/23/27/1414202327.db2.gz NYFLSNIIROPECC-UHFFFAOYSA-N -1 3 379.457 3.167 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccccc2Cl)CC1 ZINC000121705598 1414230204 /nfs/dbraw/zinc/23/02/04/1414230204.db2.gz GQODNXOXNIGJSW-UHFFFAOYSA-N -1 3 397.855 3.276 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Nc1c(F)cc(F)cc1Br ZINC000121721012 1414235584 /nfs/dbraw/zinc/23/55/84/1414235584.db2.gz GACIHCKWMSLFBY-UHFFFAOYSA-N -1 3 399.238 3.103 20 0 GGADHM CC(C)Oc1cncc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000121753031 1414246993 /nfs/dbraw/zinc/24/69/93/1414246993.db2.gz HTNMIQWMZMILIX-UHFFFAOYSA-N -1 3 390.871 3.478 20 0 GGADHM COc1ccccc1-c1csc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)n1 ZINC000121883017 1414289651 /nfs/dbraw/zinc/28/96/51/1414289651.db2.gz SLNZEUPPJYADQO-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2nccn2Cc2ccccc2)cc1F ZINC000121891604 1414293792 /nfs/dbraw/zinc/29/37/92/1414293792.db2.gz GBNCROTYTABXAK-UHFFFAOYSA-N -1 3 391.443 3.039 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(NC(=O)NC(C)C)cc2)cc1F ZINC000121926377 1414309672 /nfs/dbraw/zinc/30/96/72/1414309672.db2.gz PJPOSSGBCKMXCB-UHFFFAOYSA-N -1 3 397.447 3.282 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)cc1F ZINC000121927918 1414310380 /nfs/dbraw/zinc/31/03/80/1414310380.db2.gz HWXZKQDLGBPSEA-UHFFFAOYSA-N -1 3 396.337 3.088 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000121940244 1414315608 /nfs/dbraw/zinc/31/56/08/1414315608.db2.gz ZDLAXYCIEMXWTP-NRFANRHFSA-N -1 3 375.428 3.398 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1F ZINC000122017459 1414341510 /nfs/dbraw/zinc/34/15/10/1414341510.db2.gz NTDRIOAAIFHYCJ-LBPRGKRZSA-N -1 3 396.415 3.269 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000122057497 1414351261 /nfs/dbraw/zinc/35/12/61/1414351261.db2.gz NRLUYFPFYPPDNL-GOSISDBHSA-N -1 3 386.423 3.311 20 0 GGADHM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000122095086 1414361379 /nfs/dbraw/zinc/36/13/79/1414361379.db2.gz AGLOGCUHGOKCHY-CYBMUJFWSA-N -1 3 393.484 3.131 20 0 GGADHM CNS(=O)(=O)c1ccc([C@@H](C)/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000122188991 1414383498 /nfs/dbraw/zinc/38/34/98/1414383498.db2.gz XDGKNEFDWZTQFY-VURRPDKYSA-N -1 3 397.294 3.243 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)c(=O)[n-]1 ZINC000122272669 1414407500 /nfs/dbraw/zinc/40/75/00/1414407500.db2.gz ZNZCFUNWKAPGKI-OAHLLOKOSA-N -1 3 385.508 3.244 20 0 GGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(OC[C@@H]2CCCO2)c1 ZINC000122286980 1414413096 /nfs/dbraw/zinc/41/30/96/1414413096.db2.gz NXGVNKXMHCGELN-BRYHAGSVSA-N -1 3 378.428 3.276 20 0 GGADHM CCCCn1ncc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1C ZINC000122304956 1414418663 /nfs/dbraw/zinc/41/86/63/1414418663.db2.gz YUPUSBMGNDETJR-UHFFFAOYSA-N -1 3 396.488 3.070 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(C)o1 ZINC000177616198 1428811590 /nfs/dbraw/zinc/81/15/90/1428811590.db2.gz ZIFMMNSPCBPAOW-UHFFFAOYSA-N -1 3 382.441 3.320 20 0 GGADHM CCSCc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000122606619 1414514639 /nfs/dbraw/zinc/51/46/39/1414514639.db2.gz GVDMMJGTOMICII-UHFFFAOYSA-N -1 3 384.501 3.244 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000122682456 1414536874 /nfs/dbraw/zinc/53/68/74/1414536874.db2.gz FFENGFDMGFQHPO-UHFFFAOYSA-N -1 3 378.350 3.009 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)cc1F ZINC000122817325 1414572371 /nfs/dbraw/zinc/57/23/71/1414572371.db2.gz KSODZMPGPKQISR-NSHDSACASA-N -1 3 379.388 3.363 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000122856136 1414581551 /nfs/dbraw/zinc/58/15/51/1414581551.db2.gz HXJWMZNRDQKXNG-ZDUSSCGKSA-N -1 3 392.880 3.061 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)cc1F ZINC000122925060 1414598236 /nfs/dbraw/zinc/59/82/36/1414598236.db2.gz YZFHTLPXASFFHM-UHFFFAOYSA-N -1 3 395.475 3.134 20 0 GGADHM O=C(NCCc1csc(-c2ccccc2)n1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000177647171 1428822072 /nfs/dbraw/zinc/82/20/72/1428822072.db2.gz OYKCOOCKTHICKH-UHFFFAOYSA-N -1 3 392.440 3.058 20 0 GGADHM COc1ccc(C(=O)N2CCC[C@H](C(=O)[N-]OCC(C)C)C2)c2ccccc12 ZINC000123061115 1414630668 /nfs/dbraw/zinc/63/06/68/1414630668.db2.gz MOHWLRSARBUNMK-INIZCTEOSA-N -1 3 384.476 3.404 20 0 GGADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000736199162 1428824651 /nfs/dbraw/zinc/82/46/51/1428824651.db2.gz WBNUZOWPSMYZCA-AWEZNQCLSA-N -1 3 389.463 3.320 20 0 GGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000736199162 1428824657 /nfs/dbraw/zinc/82/46/57/1428824657.db2.gz WBNUZOWPSMYZCA-AWEZNQCLSA-N -1 3 389.463 3.320 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c(C)o1 ZINC000177658024 1428824833 /nfs/dbraw/zinc/82/48/33/1428824833.db2.gz WNAQCACUBLRFIH-UHFFFAOYSA-N -1 3 391.474 3.180 20 0 GGADHM CC(C)CO[N-]C(=O)CC12C[C@H]3C[C@@H](C1)CC(C(=O)NOCC(C)C)(C3)C2 ZINC000123145490 1414653089 /nfs/dbraw/zinc/65/30/89/1414653089.db2.gz DQALELUAGQMCLZ-AGXSTUJCSA-N -1 3 380.529 3.371 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1C(C)C ZINC000123239907 1414676021 /nfs/dbraw/zinc/67/60/21/1414676021.db2.gz SOEYKAWDQZSTTI-UHFFFAOYSA-N -1 3 377.466 3.273 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](c4ccccc4)C3)nc(=O)c2c1C ZINC000123351646 1414703943 /nfs/dbraw/zinc/70/39/43/1414703943.db2.gz PSIBZZBEFHZESA-AWEZNQCLSA-N -1 3 383.473 3.069 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(C)o1 ZINC000177672996 1428830412 /nfs/dbraw/zinc/83/04/12/1428830412.db2.gz SEGOMBLFGINCKV-UHFFFAOYSA-N -1 3 384.457 3.016 20 0 GGADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000123430295 1414729730 /nfs/dbraw/zinc/72/97/30/1414729730.db2.gz FCYAVVRHXAFMBX-GFCCVEGCSA-N -1 3 397.406 3.201 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@H]3CC(C)C)nc(=O)c2c1C ZINC000123501121 1414754247 /nfs/dbraw/zinc/75/42/47/1414754247.db2.gz KULKMFSDHSSTBO-ZDUSSCGKSA-N -1 3 377.510 3.480 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c1F ZINC000177698335 1428835972 /nfs/dbraw/zinc/83/59/72/1428835972.db2.gz AWERJBPPVGWOCH-UHFFFAOYSA-N -1 3 391.395 3.383 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2(c3ccccc3C)CC2)c1F ZINC000177699254 1428836495 /nfs/dbraw/zinc/83/64/95/1428836495.db2.gz WOGGBZVLVYHJKH-UHFFFAOYSA-N -1 3 395.427 3.070 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCN(C)c2ccccc2)sc1Br ZINC000123711503 1414813635 /nfs/dbraw/zinc/81/36/35/1414813635.db2.gz LLIAPJZEAWWFQQ-UHFFFAOYSA-N -1 3 389.340 3.234 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccn(Cc3ccc(F)cc3)c2=O)c1 ZINC000123810174 1414827727 /nfs/dbraw/zinc/82/77/27/1414827727.db2.gz WQPKGRMHXMKYBK-UHFFFAOYSA-N -1 3 390.411 3.284 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(OC(F)F)ccc32)nc1Cl ZINC000123815551 1414828677 /nfs/dbraw/zinc/82/86/77/1414828677.db2.gz FBMCKYXKQVQZTA-GFCCVEGCSA-N -1 3 391.827 3.031 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1noc(-c2ccccc2)n1 ZINC000177713525 1428840667 /nfs/dbraw/zinc/84/06/67/1428840667.db2.gz DNWXCEFWMHEQCB-CYBMUJFWSA-N -1 3 380.429 3.324 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000123858357 1414836620 /nfs/dbraw/zinc/83/66/20/1414836620.db2.gz GXYDVAMENJTNIX-ZUZCIYMTSA-N -1 3 375.824 3.409 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)c1F ZINC000177716316 1428841210 /nfs/dbraw/zinc/84/12/10/1428841210.db2.gz GFOKHCHFKSBRAJ-SECBINFHSA-N -1 3 389.445 3.031 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)c1F ZINC000177718880 1428841653 /nfs/dbraw/zinc/84/16/53/1428841653.db2.gz VCKLQGOSEUMCMO-UHFFFAOYSA-N -1 3 395.383 3.019 20 0 GGADHM O=C(CSc1ccccc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000123936634 1414853311 /nfs/dbraw/zinc/85/33/11/1414853311.db2.gz YFPIJACHRNTLPA-UHFFFAOYSA-N -1 3 390.892 3.122 20 0 GGADHM O=C(c1cc2c(s1)CCCCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000123938845 1414853838 /nfs/dbraw/zinc/85/38/38/1414853838.db2.gz RBYWITNYCMSZOF-UHFFFAOYSA-N -1 3 384.501 3.321 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](Cc4ccccc4)C3)nc(=O)c2c1C ZINC000124254189 1414921287 /nfs/dbraw/zinc/92/12/87/1414921287.db2.gz KFWAYPVPPBTFJO-OAHLLOKOSA-N -1 3 397.500 3.144 20 0 GGADHM COc1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000826193796 1428848378 /nfs/dbraw/zinc/84/83/78/1428848378.db2.gz PKSVTFGCSPHXIR-HNNXBMFYSA-N -1 3 385.493 3.118 20 0 GGADHM COc1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826193796 1428848381 /nfs/dbraw/zinc/84/83/81/1428848381.db2.gz PKSVTFGCSPHXIR-HNNXBMFYSA-N -1 3 385.493 3.118 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(Cc3ccccc3)n2)CC1 ZINC000177745357 1428848867 /nfs/dbraw/zinc/84/88/67/1428848867.db2.gz UZDUNWSAVKQWGT-UHFFFAOYSA-N -1 3 393.512 3.398 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000124313016 1414936530 /nfs/dbraw/zinc/93/65/30/1414936530.db2.gz DMBYPPUJVNWGEN-UHFFFAOYSA-N -1 3 377.194 3.364 20 0 GGADHM Cc1sc2ncn([N-]C(=O)c3ccccc3Br)c(=O)c2c1C ZINC000124348725 1414945969 /nfs/dbraw/zinc/94/59/69/1414945969.db2.gz UUFSALCWOJIZNA-UHFFFAOYSA-N -1 3 378.251 3.221 20 0 GGADHM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cnn1CCC(C)C ZINC000124438028 1414968294 /nfs/dbraw/zinc/96/82/94/1414968294.db2.gz YZQAHSRNQKYHGY-GOSISDBHSA-N -1 3 384.480 3.187 20 0 GGADHM Cc1cc(F)cc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000124477463 1414977131 /nfs/dbraw/zinc/97/71/31/1414977131.db2.gz FXYIWANYOQVVRE-UHFFFAOYSA-N -1 3 380.441 3.302 20 0 GGADHM O=C(c1occc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124574234 1414997546 /nfs/dbraw/zinc/99/75/46/1414997546.db2.gz BDLUJXFBQJOJSO-UHFFFAOYSA-N -1 3 394.402 3.390 20 0 GGADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000124714957 1415027481 /nfs/dbraw/zinc/02/74/81/1415027481.db2.gz SMPPRYZBYPRNFP-YPMHNXCESA-N -1 3 389.304 3.221 20 0 GGADHM N#CCOc1cccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000124732592 1415031837 /nfs/dbraw/zinc/03/18/37/1415031837.db2.gz QTVQWONNAFQXHX-UHFFFAOYSA-N -1 3 390.237 3.056 20 0 GGADHM O=C(Nc1ccc(Cl)c(F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000125108502 1415110751 /nfs/dbraw/zinc/11/07/51/1415110751.db2.gz DBMWXCQZROQLFQ-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)o1 ZINC000177830666 1428867122 /nfs/dbraw/zinc/86/71/22/1428867122.db2.gz UXKNQEAVXVSZIV-UHFFFAOYSA-N -1 3 398.484 3.339 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(C)o1 ZINC000177829776 1428867267 /nfs/dbraw/zinc/86/72/67/1428867267.db2.gz HKXFUTVZMSHHQR-UHFFFAOYSA-N -1 3 385.445 3.492 20 0 GGADHM CCOc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000125245281 1415139393 /nfs/dbraw/zinc/13/93/93/1415139393.db2.gz OKBJIMJLTABSGV-UHFFFAOYSA-N -1 3 398.488 3.480 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1ccc(Br)s1 ZINC000125253137 1415142747 /nfs/dbraw/zinc/14/27/47/1415142747.db2.gz UTQQLWCKDIBVPV-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM COc1ccc(N2C[C@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2=O)cc1 ZINC000125281513 1415150959 /nfs/dbraw/zinc/15/09/59/1415150959.db2.gz VXEJWVFYEPFQDB-LLVKDONJSA-N -1 3 394.349 3.411 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n[n-]2)o1 ZINC000177823158 1428865170 /nfs/dbraw/zinc/86/51/70/1428865170.db2.gz WTUACCHWFQJKLR-AWEZNQCLSA-N -1 3 397.410 3.003 20 0 GGADHM Cc1ccc(CCC(=O)NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000125361785 1415176078 /nfs/dbraw/zinc/17/60/78/1415176078.db2.gz WMFOOXBDPNMPNV-UHFFFAOYSA-N -1 3 380.366 3.407 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825128739 1428869377 /nfs/dbraw/zinc/86/93/77/1428869377.db2.gz YDDNKGZWPMMRHD-KRWDZBQOSA-N -1 3 396.495 3.358 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825128739 1428869383 /nfs/dbraw/zinc/86/93/83/1428869383.db2.gz YDDNKGZWPMMRHD-KRWDZBQOSA-N -1 3 396.495 3.358 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN([C@H](C)c3ccncc3)CC2)cc1F ZINC000125705889 1415258518 /nfs/dbraw/zinc/25/85/18/1415258518.db2.gz XHPCLXXBLZNMSC-CQSZACIVSA-N -1 3 395.475 3.172 20 0 GGADHM CCc1cc(=O)[n-]c(CSCc2nnnn2-c2ccc(C(F)(F)F)cc2)n1 ZINC000125723796 1415262914 /nfs/dbraw/zinc/26/29/14/1415262914.db2.gz FQYCCKFSBVPAJH-UHFFFAOYSA-N -1 3 396.398 3.173 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000177921566 1428892220 /nfs/dbraw/zinc/89/22/20/1428892220.db2.gz GVYFBRYCLDEJHB-HUUCEWRRSA-N -1 3 387.459 3.224 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](C)Cc2c(F)cccc2F)n1 ZINC000125747578 1415269175 /nfs/dbraw/zinc/26/91/75/1415269175.db2.gz CJWKFWAMIJJASL-LLVKDONJSA-N -1 3 381.448 3.003 20 0 GGADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1c([O-])cccc1O ZINC000125748518 1415269836 /nfs/dbraw/zinc/26/98/36/1415269836.db2.gz FAFFNWBHOOVVDL-UHFFFAOYSA-N -1 3 386.411 3.276 20 0 GGADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000177921160 1428892273 /nfs/dbraw/zinc/89/22/73/1428892273.db2.gz CMHRPIBMUAHAKJ-IRXDYDNUSA-N -1 3 383.496 3.394 20 0 GGADHM Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)CCC2 ZINC000125794811 1415282894 /nfs/dbraw/zinc/28/28/94/1415282894.db2.gz AEQPLQCULVZDIU-AWEZNQCLSA-N -1 3 384.454 3.197 20 0 GGADHM C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126127059 1415364680 /nfs/dbraw/zinc/36/46/80/1415364680.db2.gz RQHNNRVNECLJEU-YGRLFVJLSA-N -1 3 383.242 3.059 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000126184636 1415379327 /nfs/dbraw/zinc/37/93/27/1415379327.db2.gz VAIFOWLJGPPVHT-UHFFFAOYSA-N -1 3 391.394 3.189 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000126184636 1415379333 /nfs/dbraw/zinc/37/93/33/1415379333.db2.gz VAIFOWLJGPPVHT-UHFFFAOYSA-N -1 3 391.394 3.189 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc(F)nc2)CC1 ZINC000177989345 1428918989 /nfs/dbraw/zinc/91/89/89/1428918989.db2.gz DXRFIPGBEAUIOA-UHFFFAOYSA-N -1 3 392.818 3.462 20 0 GGADHM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)c(F)c3)cc21 ZINC000126191861 1415381567 /nfs/dbraw/zinc/38/15/67/1415381567.db2.gz KQYPDVGYUPEOGE-UHFFFAOYSA-N -1 3 386.452 3.195 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCc2ccncc2)ccc1F ZINC000126202769 1415384051 /nfs/dbraw/zinc/38/40/51/1415384051.db2.gz RBKCIXCTGYIHRZ-UHFFFAOYSA-N -1 3 394.468 3.087 20 0 GGADHM O=C(/C=C/c1ccc(Cl)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177981137 1428913281 /nfs/dbraw/zinc/91/32/81/1428913281.db2.gz QQCGVCVWUQSWLZ-SOFGYWHQSA-N -1 3 376.865 3.105 20 0 GGADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(OC)cc1[O-] ZINC000126334972 1415420495 /nfs/dbraw/zinc/42/04/95/1415420495.db2.gz SQYKPGRVVIJTJV-UHFFFAOYSA-N -1 3 396.365 3.309 20 0 GGADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCc2ccccc21 ZINC000178021396 1428941344 /nfs/dbraw/zinc/94/13/44/1428941344.db2.gz FRUWKDBLNRKGLZ-GFCCVEGCSA-N -1 3 375.266 3.222 20 0 GGADHM CCN1CCN(c2ccccc2N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825465978 1428949103 /nfs/dbraw/zinc/94/91/03/1428949103.db2.gz VBYXKEJLLHRRFP-MRXNPFEDSA-N -1 3 377.496 3.182 20 0 GGADHM CCN1CCN(c2ccccc2N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825465978 1428949106 /nfs/dbraw/zinc/94/91/06/1428949106.db2.gz VBYXKEJLLHRRFP-MRXNPFEDSA-N -1 3 377.496 3.182 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000126950459 1415616449 /nfs/dbraw/zinc/61/64/49/1415616449.db2.gz QUFDGUAQWTUACS-FUHWJXTLSA-N -1 3 390.480 3.107 20 0 GGADHM CC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1C ZINC000127078485 1415656123 /nfs/dbraw/zinc/65/61/23/1415656123.db2.gz QOFYRJGBKGSKCW-UHFFFAOYSA-N -1 3 392.452 3.276 20 0 GGADHM Cc1n[nH]c(C)c1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127189589 1415682640 /nfs/dbraw/zinc/68/26/40/1415682640.db2.gz QQRBNQBAKAEJOR-UHFFFAOYSA-N -1 3 384.505 3.459 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccn(Cc4ccccc4)n3)c[n-]c12 ZINC000178091268 1428978170 /nfs/dbraw/zinc/97/81/70/1428978170.db2.gz FTLDBZPFTBNCIF-UHFFFAOYSA-N -1 3 376.391 3.473 20 0 GGADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc2ccccc2o1 ZINC000178115398 1428988158 /nfs/dbraw/zinc/98/81/58/1428988158.db2.gz QGPZETFQYAZWHO-OAHLLOKOSA-N -1 3 378.428 3.227 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(OCCCOC)c3)nc2)n1 ZINC000127420286 1415772286 /nfs/dbraw/zinc/77/22/86/1415772286.db2.gz RSEIAAAHYTUKED-UHFFFAOYSA-N -1 3 394.475 3.422 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000178127490 1428992160 /nfs/dbraw/zinc/99/21/60/1428992160.db2.gz ZQERGGFTKRXGMY-LBPRGKRZSA-N -1 3 396.415 3.269 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000178127500 1428992279 /nfs/dbraw/zinc/99/22/79/1428992279.db2.gz ZQERGGFTKRXGMY-GFCCVEGCSA-N -1 3 396.415 3.269 20 0 GGADHM O=C(c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1)N1CCCCCC1 ZINC000127530202 1415805681 /nfs/dbraw/zinc/80/56/81/1415805681.db2.gz NSPPNYNDNKVKEI-HMMYKYKNSA-N -1 3 389.455 3.426 20 0 GGADHM CC[C@@H](CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000127531271 1415805730 /nfs/dbraw/zinc/80/57/30/1415805730.db2.gz NWSJIXQWRMBBGI-KRWDZBQOSA-N -1 3 381.476 3.053 20 0 GGADHM O=C(Nc1cccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1)C1CCCC1 ZINC000127550442 1415808495 /nfs/dbraw/zinc/80/84/95/1415808495.db2.gz GKBZWPGVRZNEGC-XSFVSMFZSA-N -1 3 389.455 3.216 20 0 GGADHM COC(=O)c1cc(C)nc2nc(S[C@H]3CCc4ccccc4C3)[n-]c(=O)c12 ZINC000127566118 1415811160 /nfs/dbraw/zinc/81/11/60/1415811160.db2.gz JAZKARFEXPNOAL-AWEZNQCLSA-N -1 3 381.457 3.063 20 0 GGADHM O=C(c1ccccc1[O-])N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000127620050 1415821221 /nfs/dbraw/zinc/82/12/21/1415821221.db2.gz FXFFIVOOODMHRO-LBPRGKRZSA-N -1 3 390.365 3.474 20 0 GGADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000178162659 1429003772 /nfs/dbraw/zinc/00/37/72/1429003772.db2.gz INLOXLIHWCQHAY-ZDUSSCGKSA-N -1 3 391.265 3.375 20 0 GGADHM C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127766027 1415846640 /nfs/dbraw/zinc/84/66/40/1415846640.db2.gz KEKJVLSTCHSLOX-QGZVFWFLSA-N -1 3 392.499 3.260 20 0 GGADHM CC(C)c1nc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000127793085 1415851735 /nfs/dbraw/zinc/85/17/35/1415851735.db2.gz MZSXCJGDSSDHTL-UHFFFAOYSA-N -1 3 379.960 3.050 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(O)CCCCC3)cc2)cc1 ZINC000127885125 1415869807 /nfs/dbraw/zinc/86/98/07/1415869807.db2.gz ZZRCEWIKHYWIKR-UHFFFAOYSA-N -1 3 388.489 3.430 20 0 GGADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000128038156 1415898309 /nfs/dbraw/zinc/89/83/09/1415898309.db2.gz BYOFZHMGOGAIDG-GFCCVEGCSA-N -1 3 386.473 3.476 20 0 GGADHM Cc1ccc2c(CC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)coc2c1C ZINC000128068834 1415905365 /nfs/dbraw/zinc/90/53/65/1415905365.db2.gz RSXWUBYQCRYJHX-UHFFFAOYSA-N -1 3 392.455 3.282 20 0 GGADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1NC(=O)c1ccco1 ZINC000128074535 1415906457 /nfs/dbraw/zinc/90/64/57/1415906457.db2.gz PWJZXDPBFYYWGC-UHFFFAOYSA-N -1 3 377.360 3.471 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000128080237 1415907353 /nfs/dbraw/zinc/90/73/53/1415907353.db2.gz PYPUPHFTCYHUQV-ZWKOTPCHSA-N -1 3 384.863 3.134 20 0 GGADHM O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128086469 1415909357 /nfs/dbraw/zinc/90/93/57/1415909357.db2.gz SGSULOBHDXMKNN-UHFFFAOYSA-N -1 3 383.835 3.125 20 0 GGADHM COc1ccc(CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)[C@H](C)C2CC2)cc1 ZINC000128229851 1415944254 /nfs/dbraw/zinc/94/42/54/1415944254.db2.gz GDCLXXQSCZSXCF-OAHLLOKOSA-N -1 3 383.492 3.155 20 0 GGADHM O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000128240159 1415946282 /nfs/dbraw/zinc/94/62/82/1415946282.db2.gz HNMPHSLAAQHTAE-UHFFFAOYSA-N -1 3 378.816 3.371 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000128266473 1415951222 /nfs/dbraw/zinc/95/12/22/1415951222.db2.gz XOGOOMTUQFAMIS-UHFFFAOYSA-N -1 3 380.331 3.173 20 0 GGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1S(=O)(=O)N1CCCCC1 ZINC000128323015 1415962645 /nfs/dbraw/zinc/96/26/45/1415962645.db2.gz MIHAMMIYYDFUQX-UHFFFAOYSA-N -1 3 392.452 3.267 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(=O)[n-]1 ZINC000128396597 1415978409 /nfs/dbraw/zinc/97/84/09/1415978409.db2.gz XJJQWPIYJXHPEE-UHFFFAOYSA-N -1 3 394.500 3.192 20 0 GGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000824993394 1429032713 /nfs/dbraw/zinc/03/27/13/1429032713.db2.gz QKWYLYPMVZTRSN-VFNWGFHPSA-N -1 3 385.475 3.460 20 0 GGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000824993394 1429032719 /nfs/dbraw/zinc/03/27/19/1429032719.db2.gz QKWYLYPMVZTRSN-VFNWGFHPSA-N -1 3 385.475 3.460 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(COCc3ccco3)c2)c(=O)[n-]1 ZINC000128464231 1415993668 /nfs/dbraw/zinc/99/36/68/1415993668.db2.gz YOMMYINJAJAUKH-UHFFFAOYSA-N -1 3 381.432 3.268 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccsc1 ZINC000825406357 1429044248 /nfs/dbraw/zinc/04/42/48/1429044248.db2.gz LRRORKCPXXELDM-QGZVFWFLSA-N -1 3 384.509 3.050 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccsc1 ZINC000825406357 1429044253 /nfs/dbraw/zinc/04/42/53/1429044253.db2.gz LRRORKCPXXELDM-QGZVFWFLSA-N -1 3 384.509 3.050 20 0 GGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cnn(C)c3)n2)cc1 ZINC000128555657 1416012337 /nfs/dbraw/zinc/01/23/37/1416012337.db2.gz TVZBTTOKDOUWHV-OAHLLOKOSA-N -1 3 379.445 3.067 20 0 GGADHM COC(=O)c1ccc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(F)c1 ZINC000178273602 1429039852 /nfs/dbraw/zinc/03/98/52/1429039852.db2.gz RFFAIYLOMVCFOV-UHFFFAOYSA-N -1 3 382.347 3.455 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2)n[nH]1 ZINC000128583993 1416019175 /nfs/dbraw/zinc/01/91/75/1416019175.db2.gz VMTFMEFKMIBSFZ-UHFFFAOYSA-N -1 3 377.379 3.321 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(N2CCCC2)c1 ZINC000128609377 1416024498 /nfs/dbraw/zinc/02/44/98/1416024498.db2.gz KIRPTLXAOOMNJP-CYBMUJFWSA-N -1 3 378.432 3.053 20 0 GGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000128631071 1416029216 /nfs/dbraw/zinc/02/92/16/1416029216.db2.gz GVMUAPAYQGETCM-QGZVFWFLSA-N -1 3 393.484 3.131 20 0 GGADHM CCN1CCc2nc3ccccc3c(C(=O)NCc3ccc([O-])c(F)c3)c2C1 ZINC000178291199 1429043809 /nfs/dbraw/zinc/04/38/09/1429043809.db2.gz LBMJSKFNLQKJOG-UHFFFAOYSA-N -1 3 379.435 3.388 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)c1C ZINC000822299548 1429053492 /nfs/dbraw/zinc/05/34/92/1429053492.db2.gz MGAVZCLJVDJWMS-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3cc(F)ccc3-c3nnn[n-]3)CC2)c1C ZINC000822299548 1429053496 /nfs/dbraw/zinc/05/34/96/1429053496.db2.gz MGAVZCLJVDJWMS-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM Cc1ccc(OC(F)F)c(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000128761836 1416061797 /nfs/dbraw/zinc/06/17/97/1416061797.db2.gz HTJCWPNPINQDOU-UHFFFAOYSA-N -1 3 379.407 3.216 20 0 GGADHM O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000128805350 1416073088 /nfs/dbraw/zinc/07/30/88/1416073088.db2.gz GWOTYMVZSROJBN-OAHLLOKOSA-N -1 3 386.423 3.178 20 0 GGADHM COC(=O)CCCN(Cc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000128841395 1416082580 /nfs/dbraw/zinc/08/25/80/1416082580.db2.gz MXIVVDDJRBIBHP-UHFFFAOYSA-N -1 3 378.428 3.124 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000128898363 1416096119 /nfs/dbraw/zinc/09/61/19/1416096119.db2.gz XQPNLCPEPBRUKB-UHFFFAOYSA-N -1 3 397.434 3.437 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1F ZINC000128981956 1416119165 /nfs/dbraw/zinc/11/91/65/1416119165.db2.gz XXPILLZAOZWLIL-UHFFFAOYSA-N -1 3 379.388 3.268 20 0 GGADHM COc1ccccc1[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccco1 ZINC000129010099 1416124811 /nfs/dbraw/zinc/12/48/11/1416124811.db2.gz ATVAWOFLHUUQPT-SFHVURJKSA-N -1 3 375.384 3.044 20 0 GGADHM O=C(Nc1cccc([O-])c1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000129016044 1416126050 /nfs/dbraw/zinc/12/60/50/1416126050.db2.gz KRWFGRXQCSXNBG-UHFFFAOYSA-N -1 3 378.350 3.300 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c(=O)[n-]1 ZINC000178373337 1429063986 /nfs/dbraw/zinc/06/39/86/1429063986.db2.gz WTGNVNSXSLRFTK-UHFFFAOYSA-N -1 3 387.443 3.297 20 0 GGADHM CCC1(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCCC1 ZINC000129076457 1416138954 /nfs/dbraw/zinc/13/89/54/1416138954.db2.gz RDYYQPDHIOTZJR-UHFFFAOYSA-N -1 3 386.464 3.106 20 0 GGADHM CC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(F)cc1F ZINC000129131548 1416152538 /nfs/dbraw/zinc/15/25/38/1416152538.db2.gz XZSUMHSNZTYVJH-SFHVURJKSA-N -1 3 398.413 3.229 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178399916 1429070094 /nfs/dbraw/zinc/07/00/94/1429070094.db2.gz ICTXIWAUEMFLCY-JOYOIKCWSA-N -1 3 393.267 3.318 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](O)Cc1ccccc1 ZINC000129194352 1416167630 /nfs/dbraw/zinc/16/76/30/1416167630.db2.gz ZLBQNNDBBHHKTK-XHDPSFHLSA-N -1 3 391.386 3.115 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](O)Cc1ccccc1 ZINC000129194607 1416167896 /nfs/dbraw/zinc/16/78/96/1416167896.db2.gz ZLBQNNDBBHHKTK-IAQYHMDHSA-N -1 3 391.386 3.115 20 0 GGADHM CCCN(CCN(C)C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000129213322 1416172201 /nfs/dbraw/zinc/17/22/01/1416172201.db2.gz LROHSICOTSJANJ-UHFFFAOYSA-N -1 3 384.402 3.011 20 0 GGADHM COc1cc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1OC(F)F ZINC000129258759 1416181286 /nfs/dbraw/zinc/18/12/86/1416181286.db2.gz UDHHGORCBPOAAL-YCRREMRBSA-N -1 3 387.346 3.129 20 0 GGADHM COc1cc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1OC(F)F ZINC000129258759 1416181290 /nfs/dbraw/zinc/18/12/90/1416181290.db2.gz UDHHGORCBPOAAL-YCRREMRBSA-N -1 3 387.346 3.129 20 0 GGADHM CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc([O-])c1F ZINC000129292629 1416186676 /nfs/dbraw/zinc/18/66/76/1416186676.db2.gz JWRMYNCYUXNJTD-KRWDZBQOSA-N -1 3 383.423 3.335 20 0 GGADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)cc1 ZINC000129339773 1416193628 /nfs/dbraw/zinc/19/36/28/1416193628.db2.gz URHOKHPPHBTHAB-UHFFFAOYSA-N -1 3 393.266 3.139 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)(C)CO)cc1F ZINC000129349830 1416195281 /nfs/dbraw/zinc/19/52/81/1416195281.db2.gz MUFLONLOYOQHLN-OAHLLOKOSA-N -1 3 383.460 3.354 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3Cc4cc(F)ccc4O3)c2)n1 ZINC000129397632 1416202871 /nfs/dbraw/zinc/20/28/71/1416202871.db2.gz ULUUPOPMPXILLN-SFHVURJKSA-N -1 3 379.391 3.081 20 0 GGADHM CC[C@@H](C(=O)Nc1cccc([O-])c1F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000129463334 1416213619 /nfs/dbraw/zinc/21/36/19/1416213619.db2.gz XSOPLCIZQINGOI-ZDUSSCGKSA-N -1 3 375.791 3.428 20 0 GGADHM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129471202 1416215030 /nfs/dbraw/zinc/21/50/30/1416215030.db2.gz OSCWVRJILZXVGG-OAHLLOKOSA-N -1 3 377.391 3.277 20 0 GGADHM CS(=O)(=O)CCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129482913 1416216869 /nfs/dbraw/zinc/21/68/69/1416216869.db2.gz UEPXWGPSVLSWOH-UHFFFAOYSA-N -1 3 390.486 3.432 20 0 GGADHM CN1N=C(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCC1=O ZINC000129486567 1416217736 /nfs/dbraw/zinc/21/77/36/1416217736.db2.gz PMTDOEMKHSVSON-UHFFFAOYSA-N -1 3 380.429 3.216 20 0 GGADHM Cn1c2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2nc1C(C)(C)C ZINC000129586137 1416232989 /nfs/dbraw/zinc/23/29/89/1416232989.db2.gz NIFJNLBIPCUDIR-UHFFFAOYSA-N -1 3 376.416 3.007 20 0 GGADHM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000129592610 1416233995 /nfs/dbraw/zinc/23/39/95/1416233995.db2.gz JJGVTYCSWVPXDT-SQFISAMPSA-N -1 3 384.863 3.434 20 0 GGADHM CCN(CC)[C@H](CNc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccco1 ZINC000825411875 1429079341 /nfs/dbraw/zinc/07/93/41/1429079341.db2.gz FVXPUMRJZKOWDZ-CYBMUJFWSA-N -1 3 375.864 3.312 20 0 GGADHM CCN(CC)[C@H](CNc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccco1 ZINC000825411875 1429079348 /nfs/dbraw/zinc/07/93/48/1429079348.db2.gz FVXPUMRJZKOWDZ-CYBMUJFWSA-N -1 3 375.864 3.312 20 0 GGADHM C[C@H](c1cccs1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000129664082 1416245374 /nfs/dbraw/zinc/24/53/74/1416245374.db2.gz YQLRWUDGSJDNNB-LLVKDONJSA-N -1 3 382.482 3.161 20 0 GGADHM O=C(NCCNC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc([O-])cc1 ZINC000129872184 1416277302 /nfs/dbraw/zinc/27/73/02/1416277302.db2.gz MVSFSPPHTQTDDT-UHFFFAOYSA-N -1 3 395.846 3.267 20 0 GGADHM Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)c2)n1 ZINC000129885963 1416280133 /nfs/dbraw/zinc/28/01/33/1416280133.db2.gz VJWZLHVDUFVJLA-UHFFFAOYSA-N -1 3 383.379 3.058 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c(=O)[n-]1 ZINC000129911023 1416283786 /nfs/dbraw/zinc/28/37/86/1416283786.db2.gz LHBKPFVKOLNOAH-FQEVSTJZSA-N -1 3 397.425 3.308 20 0 GGADHM Cc1nc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)sc1Cc1ccc(C)cc1 ZINC000129912633 1416283989 /nfs/dbraw/zinc/28/39/89/1416283989.db2.gz LCVNGOFKMLRLJT-UHFFFAOYSA-N -1 3 382.489 3.232 20 0 GGADHM CC(=O)c1csc([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 ZINC000129982526 1416296374 /nfs/dbraw/zinc/29/63/74/1416296374.db2.gz LVLPGZJMUIUTRD-UHFFFAOYSA-N -1 3 399.329 3.337 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000129999713 1416300172 /nfs/dbraw/zinc/30/01/72/1416300172.db2.gz BCVCRUMKWYAOCR-ZDUSSCGKSA-N -1 3 388.411 3.441 20 0 GGADHM CCCN(CC)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000130058203 1416309781 /nfs/dbraw/zinc/30/97/81/1416309781.db2.gz AXAZEEKZZRAKIT-UHFFFAOYSA-N -1 3 395.503 3.227 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)c3ccccc32)ccc1F ZINC000130108827 1416319593 /nfs/dbraw/zinc/31/95/93/1416319593.db2.gz BZMITKMXMLDZQJ-CYBMUJFWSA-N -1 3 376.453 3.276 20 0 GGADHM O=C(CCc1ccccc1F)N[N-]C(=O)c1ccc(F)cc1Br ZINC000130128909 1416323513 /nfs/dbraw/zinc/32/35/13/1416323513.db2.gz LEFROBQLVNQHJO-UHFFFAOYSA-N -1 3 383.192 3.121 20 0 GGADHM CCc1ccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000130407008 1416372724 /nfs/dbraw/zinc/37/27/24/1416372724.db2.gz QXLMKOOPFHMTGB-QGZVFWFLSA-N -1 3 380.488 3.433 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Br)s1 ZINC000130420245 1416375104 /nfs/dbraw/zinc/37/51/04/1416375104.db2.gz LLQJENJLWLMOFY-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000130422448 1416375599 /nfs/dbraw/zinc/37/55/99/1416375599.db2.gz PHIJYDWILUBCHA-UHFFFAOYSA-N -1 3 393.774 3.262 20 0 GGADHM CCc1ccc([C@@H](C)CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000130457878 1416381589 /nfs/dbraw/zinc/38/15/89/1416381589.db2.gz XTZSKBMUSQOUAM-KRWDZBQOSA-N -1 3 380.488 3.433 20 0 GGADHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000130490563 1416387305 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381.398 3.256 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000130917547 1416481020 /nfs/dbraw/zinc/48/10/20/1416481020.db2.gz DYVDGHBHRAJNHV-MNOVXSKESA-N -1 3 381.398 3.256 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)c[n-]c12 ZINC000130991909 1416492786 /nfs/dbraw/zinc/49/27/86/1416492786.db2.gz XKHLJUMNJJTNQQ-UHFFFAOYSA-N -1 3 390.374 3.391 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000130996133 1416493081 /nfs/dbraw/zinc/49/30/81/1416493081.db2.gz OQOVMFLRVKHZSN-GOSISDBHSA-N -1 3 395.503 3.102 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(c2nc(C)cs2)CCCC1 ZINC000178543393 1429103148 /nfs/dbraw/zinc/10/31/48/1429103148.db2.gz FRUWWPJUVGCOAH-UHFFFAOYSA-N -1 3 398.481 3.125 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000131028137 1416497796 /nfs/dbraw/zinc/49/77/96/1416497796.db2.gz GGDZINTURRORSK-UHFFFAOYSA-N -1 3 381.407 3.144 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000131047503 1416501139 /nfs/dbraw/zinc/50/11/39/1416501139.db2.gz POJLGZKGGOECBO-UHFFFAOYSA-N -1 3 394.393 3.291 20 0 GGADHM COc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(F)(F)F ZINC000131131853 1416513711 /nfs/dbraw/zinc/51/37/11/1416513711.db2.gz CTUOZORMXTTZRH-ZSOIEALJSA-N -1 3 377.318 3.447 20 0 GGADHM CC(=O)Nc1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000131249992 1416530165 /nfs/dbraw/zinc/53/01/65/1416530165.db2.gz PQRPRKWXJPPZNM-UHFFFAOYSA-N -1 3 391.456 3.360 20 0 GGADHM CN(CCC1CC1)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000131305919 1416537937 /nfs/dbraw/zinc/53/79/37/1416537937.db2.gz LMVMDEHAVWUQKX-UHFFFAOYSA-N -1 3 391.320 3.306 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C ZINC000131432902 1416556983 /nfs/dbraw/zinc/55/69/83/1416556983.db2.gz VANVNQAIKPJLGV-UHFFFAOYSA-N -1 3 395.341 3.398 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1OC ZINC000131502210 1416567516 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C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000132098000 1416695453 /nfs/dbraw/zinc/69/54/53/1416695453.db2.gz YPPYZANOTJKGHR-WFASDCNBSA-N -1 3 396.534 3.378 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC[C@@H]1C ZINC000132115205 1416699515 /nfs/dbraw/zinc/69/95/15/1416699515.db2.gz QZLHZSILSHKNOW-STQMWFEESA-N -1 3 379.457 3.073 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)ccc1F ZINC000132266362 1416726162 /nfs/dbraw/zinc/72/61/62/1416726162.db2.gz QOFDMPOZDSUDDK-UHFFFAOYSA-N -1 3 385.848 3.304 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1C ZINC000132266829 1416726733 /nfs/dbraw/zinc/72/67/33/1416726733.db2.gz RFBFIVZOMBGGEN-UHFFFAOYSA-N -1 3 388.424 3.079 20 0 GGADHM CCCc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000132316778 1416734225 /nfs/dbraw/zinc/73/42/25/1416734225.db2.gz LIFBGLCHTATNTP-UHFFFAOYSA-N -1 3 391.265 3.362 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c(=O)[n-]1 ZINC000132479022 1416769887 /nfs/dbraw/zinc/76/98/87/1416769887.db2.gz VWZKAUYSPVSUNX-UHFFFAOYSA-N -1 3 381.480 3.142 20 0 GGADHM COc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc(OC)c1[O-] ZINC000132579843 1416787798 /nfs/dbraw/zinc/78/77/98/1416787798.db2.gz UHGZETWCRSIPOK-IBGZPJMESA-N -1 3 382.391 3.463 20 0 GGADHM Cc1nc(C(=O)[N-]c2nc3ccccn3n2)nn1-c1c(Cl)cccc1Cl ZINC000132648911 1416799633 /nfs/dbraw/zinc/79/96/33/1416799633.db2.gz LWWLQJZMZOJARR-UHFFFAOYSA-N -1 3 388.218 3.178 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]c1cccn(Cc2ccc(C)cc2)c1=O ZINC000132704078 1416806228 /nfs/dbraw/zinc/80/62/28/1416806228.db2.gz XGTWSXLWDAFMCW-UHFFFAOYSA-N -1 3 390.486 3.076 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1cccc(Cl)c1 ZINC000132733009 1416809490 /nfs/dbraw/zinc/80/94/90/1416809490.db2.gz DVALDGPQTDXDQE-KDOFPFPSSA-N -1 3 376.815 3.021 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000132760265 1416812178 /nfs/dbraw/zinc/81/21/78/1416812178.db2.gz NQHWBQWMUQSHGW-UHFFFAOYSA-N -1 3 396.871 3.415 20 0 GGADHM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000132848114 1416822742 /nfs/dbraw/zinc/82/27/42/1416822742.db2.gz JRDSNJIJEVMMCD-MRVPVSSYSA-N -1 3 394.218 3.129 20 0 GGADHM O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ncccc1[O-] ZINC000132868356 1416825170 /nfs/dbraw/zinc/82/51/70/1416825170.db2.gz ZGVJEVNTJPYGGC-UHFFFAOYSA-N -1 3 397.416 3.011 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000132898366 1416828561 /nfs/dbraw/zinc/82/85/61/1416828561.db2.gz SXUYZDDCWGEPLD-UHFFFAOYSA-N -1 3 377.437 3.178 20 0 GGADHM O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132931773 1416832735 /nfs/dbraw/zinc/83/27/35/1416832735.db2.gz WILVEYANRKEYBP-HXUWFJFHSA-N -1 3 392.430 3.189 20 0 GGADHM O=C([N-]c1nc2ccccn2n1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000132980799 1416838206 /nfs/dbraw/zinc/83/82/06/1416838206.db2.gz GTMNFLSYFFTTSM-UHFFFAOYSA-N -1 3 379.811 3.093 20 0 GGADHM Cc1cc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)nc(-c2ccc(Cl)cc2)n1 ZINC000133095099 1416851624 /nfs/dbraw/zinc/85/16/24/1416851624.db2.gz VNPNZJZMCONMLR-UHFFFAOYSA-N -1 3 389.868 3.075 20 0 GGADHM Cc1cc(CS(=O)(=O)c2nnc(C3CC3)[n-]2)nc(-c2ccc(Cl)cc2)n1 ZINC000133095099 1416851625 /nfs/dbraw/zinc/85/16/25/1416851625.db2.gz VNPNZJZMCONMLR-UHFFFAOYSA-N -1 3 389.868 3.075 20 0 GGADHM CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133125816 1416854750 /nfs/dbraw/zinc/85/47/50/1416854750.db2.gz RFZSMNOSPCIMME-LJQANCHMSA-N -1 3 397.450 3.012 20 0 GGADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000178676568 1429137284 /nfs/dbraw/zinc/13/72/84/1429137284.db2.gz VXYVSJNXCHBQRL-SIFUEBAJSA-N -1 3 389.370 3.166 20 0 GGADHM O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000133206947 1416864338 /nfs/dbraw/zinc/86/43/38/1416864338.db2.gz XZQNEIRTEWDUFJ-VQHVLOKHSA-N -1 3 382.435 3.100 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000133279634 1416873656 /nfs/dbraw/zinc/87/36/56/1416873656.db2.gz IKSZSJVIMFHJFB-GASCZTMLSA-N -1 3 388.489 3.304 20 0 GGADHM COc1cc(Oc2ccccc2)ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000133378712 1416883930 /nfs/dbraw/zinc/88/39/30/1416883930.db2.gz UXSYGJGGYMLSED-UHFFFAOYSA-N -1 3 379.416 3.369 20 0 GGADHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)CCOCCOC)ccc21 ZINC000133395044 1416885651 /nfs/dbraw/zinc/88/56/51/1416885651.db2.gz FEHZFAPVXQATJV-UHFFFAOYSA-N -1 3 376.478 3.219 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC(=O)C(C)(C)C ZINC000133428542 1416889269 /nfs/dbraw/zinc/88/92/69/1416889269.db2.gz AABJWWNQBVGGCJ-UHFFFAOYSA-N -1 3 398.706 3.005 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1ccc(Br)cc1F ZINC000133649238 1416931066 /nfs/dbraw/zinc/93/10/66/1416931066.db2.gz COBZECUYGLSWAP-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000133767719 1416960122 /nfs/dbraw/zinc/96/01/22/1416960122.db2.gz RUSRELTWYVUMGD-YWZLYKJASA-N -1 3 387.505 3.318 20 0 GGADHM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000178708040 1429147648 /nfs/dbraw/zinc/14/76/48/1429147648.db2.gz LMDVBYCKZRZKCU-UKRRQHHQSA-N -1 3 391.798 3.295 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@H]3CC(=O)c3ccccc3)cc(=O)oc12 ZINC000134087637 1417020515 /nfs/dbraw/zinc/02/05/15/1417020515.db2.gz ZCVJFYFSVBMLLL-GOSISDBHSA-N -1 3 393.439 3.281 20 0 GGADHM COc1ccccc1N1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000134164652 1417032100 /nfs/dbraw/zinc/03/21/00/1417032100.db2.gz XSKCUUGTSJRMLO-LLVKDONJSA-N -1 3 394.349 3.411 20 0 GGADHM COc1ccccc1N1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000134164854 1417032307 /nfs/dbraw/zinc/03/23/07/1417032307.db2.gz XSKCUUGTSJRMLO-NSHDSACASA-N -1 3 394.349 3.411 20 0 GGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccnc(OC4CCC4)c3)cc2)n1 ZINC000134186053 1417035215 /nfs/dbraw/zinc/03/52/15/1417035215.db2.gz VIYCFQCCMWQXKN-UHFFFAOYSA-N -1 3 376.416 3.324 20 0 GGADHM O=C(CNC(=O)N1CCc2ccccc2C1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134221848 1417040030 /nfs/dbraw/zinc/04/00/30/1417040030.db2.gz MCNZLVCICAVHFF-UHFFFAOYSA-N -1 3 393.365 3.117 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)c(F)c(C)c2)cc1OC ZINC000134344378 1417057971 /nfs/dbraw/zinc/05/79/71/1417057971.db2.gz WGFDAVVXTCILPM-UHFFFAOYSA-N -1 3 380.441 3.465 20 0 GGADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cncn4)cc3)cc(Cl)c2O1 ZINC000134448486 1417069860 /nfs/dbraw/zinc/06/98/60/1417069860.db2.gz RMAKBJZJDYDVLX-NSHDSACASA-N -1 3 390.852 3.045 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C3CC3)cc2)c(C)c1 ZINC000134464839 1417072377 /nfs/dbraw/zinc/07/23/77/1417072377.db2.gz PRKIYIPDEUDCPG-UHFFFAOYSA-N -1 3 388.489 3.315 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C3CC3)cc2)cc1C ZINC000134464291 1417072547 /nfs/dbraw/zinc/07/25/47/1417072547.db2.gz YRXFOWWDSRPCHX-UHFFFAOYSA-N -1 3 388.489 3.315 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1F ZINC000134468238 1417073461 /nfs/dbraw/zinc/07/34/61/1417073461.db2.gz XIBUAYOLMKLECI-UHFFFAOYSA-N -1 3 379.388 3.268 20 0 GGADHM O=C(c1cccc(-c2ccoc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000134687376 1417112421 /nfs/dbraw/zinc/11/24/21/1417112421.db2.gz NFAUFALCICIISG-UHFFFAOYSA-N -1 3 376.412 3.250 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C1CC1 ZINC000134687458 1417112530 /nfs/dbraw/zinc/11/25/30/1417112530.db2.gz JYFMYQOYNRRYHG-HNNXBMFYSA-N -1 3 396.491 3.035 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000134710808 1417115266 /nfs/dbraw/zinc/11/52/66/1417115266.db2.gz XHURFRPFDRLGHR-SFHVURJKSA-N -1 3 386.473 3.114 20 0 GGADHM O=C([N-]NC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccc(Cl)cc1Cl ZINC000134733416 1417118165 /nfs/dbraw/zinc/11/81/65/1417118165.db2.gz GLXXGPBUNCDARI-SNVBAGLBSA-N -1 3 383.206 3.145 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000134775393 1417123849 /nfs/dbraw/zinc/12/38/49/1417123849.db2.gz KFBHZITZTYENQN-LBPRGKRZSA-N -1 3 381.810 3.402 20 0 GGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000178749185 1429160409 /nfs/dbraw/zinc/16/04/09/1429160409.db2.gz HSNVEUYCILUQCP-HNNXBMFYSA-N -1 3 399.413 3.181 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000134865313 1417135715 /nfs/dbraw/zinc/13/57/15/1417135715.db2.gz JLRLXTYOOHVBJU-UHFFFAOYSA-N -1 3 383.408 3.445 20 0 GGADHM O=C(Nc1ccc(F)nc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000135004643 1417159701 /nfs/dbraw/zinc/15/97/01/1417159701.db2.gz NXYBNBILJMYPGV-UHFFFAOYSA-N -1 3 389.383 3.413 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1F ZINC000135021983 1417163168 /nfs/dbraw/zinc/16/31/68/1417163168.db2.gz IQRCOVIZLRDXMP-CQSZACIVSA-N -1 3 379.787 3.078 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)ccc1F ZINC000135295687 1417204955 /nfs/dbraw/zinc/20/49/55/1417204955.db2.gz AKLOMNGUNCHARC-UHFFFAOYSA-N -1 3 392.239 3.474 20 0 GGADHM CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000135345471 1417210218 /nfs/dbraw/zinc/21/02/18/1417210218.db2.gz KRPODZWODHHAKW-YPMHNXCESA-N -1 3 377.510 3.480 20 0 GGADHM CC1CCN(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000135443446 1417220728 /nfs/dbraw/zinc/22/07/28/1417220728.db2.gz CIALCCOYRSDBFJ-UHFFFAOYSA-N -1 3 387.505 3.158 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000135516199 1417231917 /nfs/dbraw/zinc/23/19/17/1417231917.db2.gz YSMAESWBYHJBFX-UHFFFAOYSA-N -1 3 381.360 3.088 20 0 GGADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178781941 1429169061 /nfs/dbraw/zinc/16/90/61/1429169061.db2.gz BUFKHRNCBGFXFV-IUCAKERBSA-N -1 3 381.306 3.240 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCCOc2ccc3ccccc3c2)c(=O)[n-]1 ZINC000135603133 1417244433 /nfs/dbraw/zinc/24/44/33/1417244433.db2.gz COAXQBHOSHKWIB-UHFFFAOYSA-N -1 3 379.460 3.058 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000136025908 1417286990 /nfs/dbraw/zinc/28/69/90/1417286990.db2.gz IANOEOFCFHIMFQ-GOSISDBHSA-N -1 3 395.286 3.190 20 0 GGADHM Cc1nc2ccc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2s1 ZINC000136367893 1417312024 /nfs/dbraw/zinc/31/20/24/1417312024.db2.gz HEXLKMHZBBOILX-UHFFFAOYSA-N -1 3 396.472 3.300 20 0 GGADHM O=C1[N-]C(=O)/C(=C/NCc2cccc(COCC(F)(F)F)c2)c2ccccc21 ZINC000136468201 1417319714 /nfs/dbraw/zinc/31/97/14/1417319714.db2.gz LRWXVYCSSDARDF-LICLKQGHSA-N -1 3 390.361 3.166 20 0 GGADHM O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136709140 1417340986 /nfs/dbraw/zinc/34/09/86/1417340986.db2.gz BRTJMWVPROTMIR-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM CSCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000136753080 1417343823 /nfs/dbraw/zinc/34/38/23/1417343823.db2.gz JNGCVBONFMZGKY-UHFFFAOYSA-N -1 3 396.509 3.418 20 0 GGADHM CCc1nc2cc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2o1 ZINC000136827856 1417348283 /nfs/dbraw/zinc/34/82/83/1417348283.db2.gz LIDLBZZTCPOYAA-UHFFFAOYSA-N -1 3 394.431 3.086 20 0 GGADHM C[N@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(Br)c1[O-] ZINC000137006736 1417362584 /nfs/dbraw/zinc/36/25/84/1417362584.db2.gz DBBSTGDNFBXLQG-UHFFFAOYSA-N -1 3 380.267 3.085 20 0 GGADHM C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(Br)c1[O-] ZINC000137006736 1417362589 /nfs/dbraw/zinc/36/25/89/1417362589.db2.gz DBBSTGDNFBXLQG-UHFFFAOYSA-N -1 3 380.267 3.085 20 0 GGADHM COC(=O)CCCCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000137024982 1417363549 /nfs/dbraw/zinc/36/35/49/1417363549.db2.gz SONGOPZOIHUFKH-UHFFFAOYSA-N -1 3 387.274 3.077 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3OCCc4ccccc43)c2)n1 ZINC000137485254 1417387888 /nfs/dbraw/zinc/38/78/88/1417387888.db2.gz CNBWGKDMDVEKSJ-FQEVSTJZSA-N -1 3 375.428 3.252 20 0 GGADHM Cc1cccc(C)c1NC(=O)CCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000137553545 1417390268 /nfs/dbraw/zinc/39/02/68/1417390268.db2.gz HSQKTULEJPWPRU-UHFFFAOYSA-N -1 3 395.503 3.186 20 0 GGADHM O=C(Nc1cc(F)cc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000137945648 1417399068 /nfs/dbraw/zinc/39/90/68/1417399068.db2.gz ZQJGKZDQVIDIDR-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)c3ccc4c(c3)CCC4)c2)n1 ZINC000138918247 1417442192 /nfs/dbraw/zinc/44/21/92/1417442192.db2.gz XLVPZGVIZXENJK-UHFFFAOYSA-N -1 3 387.439 3.309 20 0 GGADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000140179759 1417491092 /nfs/dbraw/zinc/49/10/92/1417491092.db2.gz DYKNHQIQNYRDDX-UHFFFAOYSA-N -1 3 387.465 3.122 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3n[nH]c4ccccc34)nc(=O)c2c1C ZINC000140277583 1417496120 /nfs/dbraw/zinc/49/61/20/1417496120.db2.gz XKMQHFYZOVJCKQ-SNVBAGLBSA-N -1 3 382.445 3.325 20 0 GGADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000140899944 1417519937 /nfs/dbraw/zinc/51/99/37/1417519937.db2.gz KWCLFEHSEVBDOI-NSHDSACASA-N -1 3 394.244 3.163 20 0 GGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000140900139 1417520241 /nfs/dbraw/zinc/52/02/41/1417520241.db2.gz KWCLFEHSEVBDOI-LLVKDONJSA-N -1 3 394.244 3.163 20 0 GGADHM CCc1cc2c(CN3CCC([C@@H](O)C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000141068429 1417526125 /nfs/dbraw/zinc/52/61/25/1417526125.db2.gz KVASLCLKBZRCKA-GOSISDBHSA-N -1 3 385.382 3.196 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@@H](C)C2(C)CC2)c1-c1nn[n-]n1 ZINC000822016361 1429194631 /nfs/dbraw/zinc/19/46/31/1429194631.db2.gz YORILZHYMPDSTN-HNNXBMFYSA-N -1 3 399.543 3.459 20 0 GGADHM Cc1cc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)on1 ZINC000143094777 1417611649 /nfs/dbraw/zinc/61/16/49/1417611649.db2.gz BJVKVMODMDEELQ-UHFFFAOYSA-N -1 3 399.472 3.331 20 0 GGADHM Cc1nc(C)c(CC(=O)OCc2ccc(OCc3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000144088536 1417655189 /nfs/dbraw/zinc/65/51/89/1417655189.db2.gz GSTFTAXFTPTBOQ-UHFFFAOYSA-N -1 3 396.418 3.391 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1F ZINC000145731045 1417698852 /nfs/dbraw/zinc/69/88/52/1417698852.db2.gz ONVOEVRRMAEJIU-ZIAGYGMSSA-N -1 3 377.213 3.153 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000146061530 1417709856 /nfs/dbraw/zinc/70/98/56/1417709856.db2.gz OTNPAHBVYMHIAZ-UHFFFAOYSA-N -1 3 381.722 3.469 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000146592740 1417724961 /nfs/dbraw/zinc/72/49/61/1417724961.db2.gz NKPQALJKDKZUSK-CQSZACIVSA-N -1 3 399.440 3.267 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000149664218 1417778745 /nfs/dbraw/zinc/77/87/45/1417778745.db2.gz ACLXXWLFNWAGHE-SJORKVTESA-N -1 3 389.883 3.340 20 0 GGADHM COC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)C ZINC000150747464 1417797007 /nfs/dbraw/zinc/79/70/07/1417797007.db2.gz KURVWYLFTTUXJR-GOSISDBHSA-N -1 3 394.468 3.027 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@H]3C[C@H](O)c3ccccc3)cc(=O)oc12 ZINC000150786782 1417806562 /nfs/dbraw/zinc/80/65/62/1417806562.db2.gz OSPDZRHEZMSYCR-NQIIRXRSSA-N -1 3 395.455 3.132 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150847522 1417819645 /nfs/dbraw/zinc/81/96/45/1417819645.db2.gz XCQMBCZUPOQDPE-SFHVURJKSA-N -1 3 394.537 3.178 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCOc3cccc(OC)c3)nc2)n1 ZINC000150861813 1417822941 /nfs/dbraw/zinc/82/29/41/1417822941.db2.gz VUMRRYUORUGAFS-UHFFFAOYSA-N -1 3 380.448 3.284 20 0 GGADHM CCC(CC)(CC)CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000150864079 1417823451 /nfs/dbraw/zinc/82/34/51/1417823451.db2.gz CFZIPXNWKQUINP-UHFFFAOYSA-N -1 3 388.480 3.352 20 0 GGADHM O=C(NCCc1ccccc1OC(F)(F)F)c1c[n-]c2ccccc2c1=O ZINC000150929528 1417837479 /nfs/dbraw/zinc/83/74/79/1417837479.db2.gz ZWURHMYXGCONHH-UHFFFAOYSA-N -1 3 376.334 3.399 20 0 GGADHM CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C1CC1 ZINC000151444076 1417972001 /nfs/dbraw/zinc/97/20/01/1417972001.db2.gz UKGGZORDZJZQFQ-UHFFFAOYSA-N -1 3 387.505 3.219 20 0 GGADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1F ZINC000178944199 1429226113 /nfs/dbraw/zinc/22/61/13/1429226113.db2.gz DYCLCHYMTLQCQP-CQSZACIVSA-N -1 3 388.414 3.149 20 0 GGADHM CC(C)(C)[C@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1cccs1 ZINC000151549167 1418021088 /nfs/dbraw/zinc/02/10/88/1418021088.db2.gz XKKCZFRNSBZEGV-LJQANCHMSA-N -1 3 390.505 3.468 20 0 GGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CO[N-]C(=O)CCOc1ccccc1 ZINC000151550361 1418021255 /nfs/dbraw/zinc/02/12/55/1418021255.db2.gz AEHCLQUIVQMKAO-HNNXBMFYSA-N -1 3 390.867 3.376 20 0 GGADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[N-]C(=O)CCOc1ccccc1 ZINC000151550936 1418021851 /nfs/dbraw/zinc/02/18/51/1418021851.db2.gz JHTUAMSQSFNPRR-CQSZACIVSA-N -1 3 392.402 3.001 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000151561754 1418025100 /nfs/dbraw/zinc/02/51/00/1418025100.db2.gz JPKISEFSSDSYPH-OAHLLOKOSA-N -1 3 385.439 3.068 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2)c1ncc(-c2ccccc2)o1 ZINC000151570817 1418027868 /nfs/dbraw/zinc/02/78/68/1418027868.db2.gz DDGXKSQKBLYHMR-LBPRGKRZSA-N -1 3 384.413 3.052 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C1=NO[C@H](c2ccccc2)C1 ZINC000151573907 1418029093 /nfs/dbraw/zinc/02/90/93/1418029093.db2.gz YAGAXELBOYPRPY-INIZCTEOSA-N -1 3 375.222 3.289 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000151729456 1418073136 /nfs/dbraw/zinc/07/31/36/1418073136.db2.gz WWNNAQGYCVXXRA-UHFFFAOYSA-N -1 3 399.285 3.170 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(C#N)cc1 ZINC000151970498 1418108862 /nfs/dbraw/zinc/10/88/62/1418108862.db2.gz MJTBPDYYWOKNRL-UHFFFAOYSA-N -1 3 389.452 3.051 20 0 GGADHM COC(=O)Cc1nc(NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)n[n-]1 ZINC000152062344 1418134483 /nfs/dbraw/zinc/13/44/83/1418134483.db2.gz OXZGKGRGQJKGTR-UHFFFAOYSA-N -1 3 378.432 3.104 20 0 GGADHM C[C@@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000152147795 1418157857 /nfs/dbraw/zinc/15/78/57/1418157857.db2.gz KFXHDMFXKYDMFF-YMTOWFKASA-N -1 3 391.320 3.353 20 0 GGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000152147636 1418158045 /nfs/dbraw/zinc/15/80/45/1418158045.db2.gz KFXHDMFXKYDMFF-OTYXRUKQSA-N -1 3 391.320 3.353 20 0 GGADHM O=C(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179044770 1429248973 /nfs/dbraw/zinc/24/89/73/1429248973.db2.gz WGLMEEMZGBZFSF-UHFFFAOYSA-N -1 3 381.819 3.414 20 0 GGADHM Cc1ccc(-c2ccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)c(F)c2)cc1C ZINC000179049159 1429249805 /nfs/dbraw/zinc/24/98/05/1429249805.db2.gz CVOCXVLDQYMQMJ-UHFFFAOYSA-N -1 3 377.419 3.391 20 0 GGADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000179054738 1429251176 /nfs/dbraw/zinc/25/11/76/1429251176.db2.gz ZVKGHIXKTZUDIX-DAFODLJHSA-N -1 3 383.757 3.040 20 0 GGADHM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179065159 1429253501 /nfs/dbraw/zinc/25/35/01/1429253501.db2.gz HAYZESBKOGGJFG-SOFGYWHQSA-N -1 3 381.432 3.236 20 0 GGADHM O=C([C@H](Sc1ccc(F)cc1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179094223 1429260535 /nfs/dbraw/zinc/26/05/35/1429260535.db2.gz GZYMLWROEDQWIR-LJQANCHMSA-N -1 3 395.459 3.327 20 0 GGADHM Cc1ccc(Sc2ncccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)c1 ZINC000179094986 1429260839 /nfs/dbraw/zinc/26/08/39/1429260839.db2.gz NHISROFLQDHXKW-UHFFFAOYSA-N -1 3 392.484 3.131 20 0 GGADHM COc1ccc(-c2cc(C(=O)N3CCc4nc[n-]c(=O)c4C3)sc2C)cc1 ZINC000179098241 1429262672 /nfs/dbraw/zinc/26/26/72/1429262672.db2.gz JWKNZIWKNZXRHX-UHFFFAOYSA-N -1 3 381.457 3.014 20 0 GGADHM Clc1nsc(NC[C@H](c2cccs2)N2CCCC2)c1-c1nn[n-]n1 ZINC000822590145 1429286690 /nfs/dbraw/zinc/28/66/90/1429286690.db2.gz JCHDHLBEWGRLGJ-SECBINFHSA-N -1 3 381.918 3.287 20 0 GGADHM Clc1nsc(NC[C@H](c2cccs2)N2CCCC2)c1-c1nnn[n-]1 ZINC000822590145 1429286692 /nfs/dbraw/zinc/28/66/92/1429286692.db2.gz JCHDHLBEWGRLGJ-SECBINFHSA-N -1 3 381.918 3.287 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1C ZINC000179310168 1429324266 /nfs/dbraw/zinc/32/42/66/1429324266.db2.gz VICGGHQFGXOOGS-KPZWWZAWSA-N -1 3 377.437 3.214 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361400 1429344217 /nfs/dbraw/zinc/34/42/17/1429344217.db2.gz BRIRVSSKVQATCG-XIKOKIGWSA-N -1 3 394.805 3.160 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCc2ccccc2)c1 ZINC000179385357 1429353541 /nfs/dbraw/zinc/35/35/41/1429353541.db2.gz LKSQQNWJGYLERC-UHFFFAOYSA-N -1 3 379.416 3.304 20 0 GGADHM Cc1cccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1C ZINC000822289201 1429365353 /nfs/dbraw/zinc/36/53/53/1429365353.db2.gz UQURJXBZAYNSCL-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1C ZINC000822289201 1429365359 /nfs/dbraw/zinc/36/53/59/1429365359.db2.gz UQURJXBZAYNSCL-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3occc32)c1 ZINC000179415653 1429365952 /nfs/dbraw/zinc/36/59/52/1429365952.db2.gz VHDUERPDIJVHHR-MRXNPFEDSA-N -1 3 381.388 3.341 20 0 GGADHM CCC(C)(C)c1ccc(CNCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000825043367 1429367385 /nfs/dbraw/zinc/36/73/85/1429367385.db2.gz GHKVSOPOONTKRD-UHFFFAOYSA-N -1 3 375.480 3.492 20 0 GGADHM CCC(C)(C)c1ccc(CNCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000825043367 1429367392 /nfs/dbraw/zinc/36/73/92/1429367392.db2.gz GHKVSOPOONTKRD-UHFFFAOYSA-N -1 3 375.480 3.492 20 0 GGADHM Cc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000826283073 1429400255 /nfs/dbraw/zinc/40/02/55/1429400255.db2.gz JQUKKSANQQIKCC-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000826283073 1429400258 /nfs/dbraw/zinc/40/02/58/1429400258.db2.gz JQUKKSANQQIKCC-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM CN(C)Cc1nc(C(C)(C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])no1 ZINC000179516176 1429405206 /nfs/dbraw/zinc/40/52/06/1429405206.db2.gz VYLNZUWHVLYVMJ-UHFFFAOYSA-N -1 3 396.447 3.294 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(C(=O)c3ccc([O-])cc3)CC1)CCC2 ZINC000179557211 1429431273 /nfs/dbraw/zinc/43/12/73/1429431273.db2.gz CHACCUQSFMIZHE-NRFANRHFSA-N -1 3 393.487 3.246 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000826280444 1429434322 /nfs/dbraw/zinc/43/43/22/1429434322.db2.gz BUZVGPLVGPDESX-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000826280444 1429434325 /nfs/dbraw/zinc/43/43/25/1429434325.db2.gz BUZVGPLVGPDESX-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1cc2cc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2[nH]1 ZINC000179563289 1429435770 /nfs/dbraw/zinc/43/57/70/1429435770.db2.gz BJZPNWSYRLOASF-UHFFFAOYSA-N -1 3 378.432 3.172 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826213093 1429455667 /nfs/dbraw/zinc/45/56/67/1429455667.db2.gz KXKIMDFVIOFJHK-OALUTQOASA-N -1 3 377.448 3.366 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826213093 1429455668 /nfs/dbraw/zinc/45/56/68/1429455668.db2.gz KXKIMDFVIOFJHK-OALUTQOASA-N -1 3 377.448 3.366 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000179619466 1429473618 /nfs/dbraw/zinc/47/36/18/1429473618.db2.gz YUMSTBUEEYURSC-UHFFFAOYSA-N -1 3 378.831 3.022 20 0 GGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179628736 1429478290 /nfs/dbraw/zinc/47/82/90/1429478290.db2.gz JKPVFLACHUYVDN-KKSFZXQISA-N -1 3 393.487 3.183 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179628723 1429478611 /nfs/dbraw/zinc/47/86/11/1429478611.db2.gz JKPVFLACHUYVDN-IERDGZPVSA-N -1 3 393.487 3.183 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]1CN1CCOCC1 ZINC000179641498 1429485664 /nfs/dbraw/zinc/48/56/64/1429485664.db2.gz XKCFPGNEMORPGS-QGZVFWFLSA-N -1 3 382.460 3.121 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000179643007 1429486168 /nfs/dbraw/zinc/48/61/68/1429486168.db2.gz NJAURXVMSJJGQO-QGZVFWFLSA-N -1 3 380.375 3.330 20 0 GGADHM COc1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c([O-])c1 ZINC000179699974 1429513068 /nfs/dbraw/zinc/51/30/68/1429513068.db2.gz XGHZCKUQHPOSAM-UHFFFAOYSA-N -1 3 377.444 3.039 20 0 GGADHM CC[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC000825139362 1429521153 /nfs/dbraw/zinc/52/11/53/1429521153.db2.gz FECLWPWTTAWRDF-RBUKOAKNSA-N -1 3 376.464 3.103 20 0 GGADHM CC[C@H](N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000825139362 1429521156 /nfs/dbraw/zinc/52/11/56/1429521156.db2.gz FECLWPWTTAWRDF-RBUKOAKNSA-N -1 3 376.464 3.103 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000822016354 1429521735 /nfs/dbraw/zinc/52/17/35/1429521735.db2.gz YKKPSNOXTVZTEF-BETUJISGSA-N -1 3 385.516 3.211 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000822016354 1429521740 /nfs/dbraw/zinc/52/17/40/1429521740.db2.gz YKKPSNOXTVZTEF-BETUJISGSA-N -1 3 385.516 3.211 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000152316434 1422071249 /nfs/dbraw/zinc/07/12/49/1422071249.db2.gz AEMBXEMARBRMNX-UHFFFAOYSA-N -1 3 397.321 3.192 20 0 GGADHM Cc1nc(-c2ccccc2)sc1COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000152333844 1422074797 /nfs/dbraw/zinc/07/47/97/1422074797.db2.gz GVXZRVDYPJRUSS-OAHLLOKOSA-N -1 3 396.534 3.126 20 0 GGADHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000152349922 1422080291 /nfs/dbraw/zinc/08/02/91/1422080291.db2.gz ZYUICGYVCQWUPA-SNVBAGLBSA-N -1 3 390.182 3.389 20 0 GGADHM O=C(Nc1cccc(-c2ncco2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000152398743 1422093264 /nfs/dbraw/zinc/09/32/64/1422093264.db2.gz SHIYZCSSGMBGJU-UHFFFAOYSA-N -1 3 392.415 3.037 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(CCc2cccc(F)c2)C2CCCC2)c(=O)[n-]1 ZINC000152494169 1422119631 /nfs/dbraw/zinc/11/96/31/1422119631.db2.gz QCQCOXJYLCRZCV-UHFFFAOYSA-N -1 3 385.483 3.472 20 0 GGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)cc1 ZINC000179747474 1429535245 /nfs/dbraw/zinc/53/52/45/1429535245.db2.gz PYOFQSKDBUCGCT-UHFFFAOYSA-N -1 3 380.441 3.116 20 0 GGADHM CC1(C)C[C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc21 ZINC000152662169 1422195671 /nfs/dbraw/zinc/19/56/71/1422195671.db2.gz LVLHBZNKRDSXDO-IBGZPJMESA-N -1 3 393.487 3.282 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(F)c1F ZINC000152799483 1422252758 /nfs/dbraw/zinc/25/27/58/1422252758.db2.gz ZRPJZQXSKVAEIH-SNVBAGLBSA-N -1 3 398.406 3.036 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(=O)[n-]1 ZINC000153083702 1422351108 /nfs/dbraw/zinc/35/11/08/1422351108.db2.gz HUCBLZKSLHOKDC-KRWDZBQOSA-N -1 3 381.398 3.462 20 0 GGADHM O=C(NCCNC(=O)C1(c2ccc(F)cc2F)CCCC1)c1ccc([O-])cc1 ZINC000153108953 1422359676 /nfs/dbraw/zinc/35/96/76/1422359676.db2.gz PTOXLGXJNQAEJU-UHFFFAOYSA-N -1 3 388.414 3.028 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000153247850 1422417456 /nfs/dbraw/zinc/41/74/56/1422417456.db2.gz PHLZZFPUBPCVCS-UXPWSPDFSA-N -1 3 393.487 3.414 20 0 GGADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000153249055 1422417480 /nfs/dbraw/zinc/41/74/80/1422417480.db2.gz PUCHXHQCYRYOID-CYBMUJFWSA-N -1 3 376.526 3.427 20 0 GGADHM O=C([N-]OCc1cccnc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000153259466 1422424777 /nfs/dbraw/zinc/42/47/77/1422424777.db2.gz QWHDHQPEANAFPI-SFHVURJKSA-N -1 3 379.382 3.084 20 0 GGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000179783097 1429560433 /nfs/dbraw/zinc/56/04/33/1429560433.db2.gz IPVNZGDDPSFPMK-UHFFFAOYSA-N -1 3 392.181 3.008 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c([O-])c1 ZINC000153394580 1422512628 /nfs/dbraw/zinc/51/26/28/1422512628.db2.gz HYHBTDRCYXCTKX-QGZVFWFLSA-N -1 3 395.503 3.298 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c([O-])c1 ZINC000153394478 1422512994 /nfs/dbraw/zinc/51/29/94/1422512994.db2.gz HYHBTDRCYXCTKX-KRWDZBQOSA-N -1 3 395.503 3.298 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOCC(C)C)c2)cc1 ZINC000153443000 1422539480 /nfs/dbraw/zinc/53/94/80/1422539480.db2.gz VOFWNTZVCBPUAE-UHFFFAOYSA-N -1 3 376.478 3.422 20 0 GGADHM Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822242146 1429566753 /nfs/dbraw/zinc/56/67/53/1429566753.db2.gz BNUPKQZATOWWAN-CQSZACIVSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822242146 1429566757 /nfs/dbraw/zinc/56/67/57/1429566757.db2.gz BNUPKQZATOWWAN-CQSZACIVSA-N -1 3 382.443 3.130 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000153484001 1422563201 /nfs/dbraw/zinc/56/32/01/1422563201.db2.gz BPETZNSJMYETQC-CYBMUJFWSA-N -1 3 398.850 3.413 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2ccc(C(C)C)nc2)c1 ZINC000153514409 1422579668 /nfs/dbraw/zinc/57/96/68/1422579668.db2.gz OXTNSYNJSDMHRE-UHFFFAOYSA-N -1 3 392.253 3.051 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000153610666 1422646834 /nfs/dbraw/zinc/64/68/34/1422646834.db2.gz QDIYWFIOLDSNID-ZDUSSCGKSA-N -1 3 394.880 3.085 20 0 GGADHM Cc1ccc(-c2nnn(CC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)n2)cc1 ZINC000153643147 1422670235 /nfs/dbraw/zinc/67/02/35/1422670235.db2.gz FQXKYPXKJILTNS-UHFFFAOYSA-N -1 3 377.326 3.012 20 0 GGADHM O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153662908 1422689059 /nfs/dbraw/zinc/68/90/59/1422689059.db2.gz INZYNEYBDVUWGA-UHFFFAOYSA-N -1 3 377.322 3.150 20 0 GGADHM Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3ccc(Cl)cc3[O-])cc12 ZINC000153711899 1422714900 /nfs/dbraw/zinc/71/49/00/1422714900.db2.gz AVABTLWLIOVGBV-VIFPVBQESA-N -1 3 392.868 3.059 20 0 GGADHM CC(=O)c1ccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000153713460 1422716001 /nfs/dbraw/zinc/71/60/01/1422716001.db2.gz SHOVSCNFHFMILD-UHFFFAOYSA-N -1 3 376.412 3.271 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(F)c32)ccc1F ZINC000153726099 1422725239 /nfs/dbraw/zinc/72/52/39/1422725239.db2.gz HVPJWKLXDFQYAQ-UHFFFAOYSA-N -1 3 394.443 3.245 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000179808313 1429581524 /nfs/dbraw/zinc/58/15/24/1429581524.db2.gz AKBXJZOWKJROHD-UHFFFAOYSA-N -1 3 381.457 3.349 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000153767643 1422745335 /nfs/dbraw/zinc/74/53/35/1422745335.db2.gz LXCVVXRGPXOKTO-UHFFFAOYSA-N -1 3 390.226 3.467 20 0 GGADHM Cc1c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cnn1-c1ccccc1F ZINC000153801961 1422766082 /nfs/dbraw/zinc/76/60/82/1422766082.db2.gz INZGDBWWEJFMKM-UHFFFAOYSA-N -1 3 383.427 3.261 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c(C)o1 ZINC000153851401 1422797806 /nfs/dbraw/zinc/79/78/06/1422797806.db2.gz IOYFRJXXPZSRFI-UHFFFAOYSA-N -1 3 392.477 3.161 20 0 GGADHM CN1CCN(Cc2cccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)c2)CC1 ZINC000153947185 1422815276 /nfs/dbraw/zinc/81/52/76/1422815276.db2.gz WRIAPQSJXSIDGM-UHFFFAOYSA-N -1 3 397.903 3.027 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000153963689 1422818106 /nfs/dbraw/zinc/81/81/06/1422818106.db2.gz KIOVYVFHVBALTN-MRXNPFEDSA-N -1 3 392.279 3.460 20 0 GGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000154028574 1422828279 /nfs/dbraw/zinc/82/82/79/1422828279.db2.gz FTKZSUSXODMGFR-UHFFFAOYSA-N -1 3 388.468 3.182 20 0 GGADHM Cc1coc(-c2cc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)ccc2C)n1 ZINC000154119092 1422842790 /nfs/dbraw/zinc/84/27/90/1422842790.db2.gz BQTDHJBGTAMYFG-UHFFFAOYSA-N -1 3 394.431 3.216 20 0 GGADHM CC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1nccs1 ZINC000154313732 1422871336 /nfs/dbraw/zinc/87/13/36/1422871336.db2.gz FPGDGAQHRCMHSN-KRWDZBQOSA-N -1 3 399.513 3.024 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1Cl ZINC000154341748 1422875595 /nfs/dbraw/zinc/87/55/95/1422875595.db2.gz DXIUSNYTMOJIRL-OCBCSQNSSA-N -1 3 394.855 3.054 20 0 GGADHM C[C@@H](N[C@H](CO)c1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824529827 1429592049 /nfs/dbraw/zinc/59/20/49/1429592049.db2.gz HTDOEVFRRWVPBC-BDJLRTHQSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@@H](N[C@H](CO)c1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824529827 1429592052 /nfs/dbraw/zinc/59/20/52/1429592052.db2.gz HTDOEVFRRWVPBC-BDJLRTHQSA-N -1 3 388.269 3.013 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(-c4cnn(C)c4)cs3)c[n-]c12 ZINC000154353174 1422877402 /nfs/dbraw/zinc/87/74/02/1422877402.db2.gz MRLNCJSQZFQEBT-UHFFFAOYSA-N -1 3 383.408 3.085 20 0 GGADHM COc1ccc(-c2nnc(NC(=O)c3c[n-]c4ccccc4c3=O)s2)cc1 ZINC000154369241 1422879413 /nfs/dbraw/zinc/87/94/13/1422879413.db2.gz SCUUDCLKHFLBMB-UHFFFAOYSA-N -1 3 378.413 3.308 20 0 GGADHM COC(=O)c1sccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000154489607 1422895874 /nfs/dbraw/zinc/89/58/74/1422895874.db2.gz NTHNYGZCEPROMD-UHFFFAOYSA-N -1 3 398.469 3.249 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](O)c3cccc(F)c3)c2)n1 ZINC000154530244 1422904971 /nfs/dbraw/zinc/90/49/71/1422904971.db2.gz KNHGCYRTKIUXCM-GOSISDBHSA-N -1 3 381.407 3.201 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000154761474 1423024724 /nfs/dbraw/zinc/02/47/24/1423024724.db2.gz IFTNWCLMZAHUPW-UHFFFAOYSA-N -1 3 390.751 3.182 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000179851990 1429609300 /nfs/dbraw/zinc/60/93/00/1429609300.db2.gz ZKAUXHBILHSAMC-LJQANCHMSA-N -1 3 388.427 3.459 20 0 GGADHM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1 ZINC000179850655 1429609510 /nfs/dbraw/zinc/60/95/10/1429609510.db2.gz ZGHCRXSQWYDAFN-CYBMUJFWSA-N -1 3 376.388 3.369 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)nc(N4CCCC4)c3)nc21 ZINC000154870191 1423061431 /nfs/dbraw/zinc/06/14/31/1423061431.db2.gz XJXVJIKVTWZHIJ-UHFFFAOYSA-N -1 3 399.838 3.250 20 0 GGADHM CC[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000154923948 1423081535 /nfs/dbraw/zinc/08/15/35/1423081535.db2.gz BTYMVJNRUVIIDA-YPMHNXCESA-N -1 3 386.464 3.104 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000154962895 1423092845 /nfs/dbraw/zinc/09/28/45/1423092845.db2.gz BWMMGIPAWHZHHF-UHFFFAOYSA-N -1 3 398.850 3.374 20 0 GGADHM COc1cc(F)cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000154989091 1423100901 /nfs/dbraw/zinc/10/09/01/1423100901.db2.gz WTMYIACZQDWENS-UHFFFAOYSA-N -1 3 398.431 3.303 20 0 GGADHM CS(=O)(=O)C[C@H](NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000154999077 1423105048 /nfs/dbraw/zinc/10/50/48/1423105048.db2.gz OIXPRZWKQPFUSB-HNNXBMFYSA-N -1 3 384.295 3.030 20 0 GGADHM COC(=O)c1ccc(C(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)o1 ZINC000154998038 1423105165 /nfs/dbraw/zinc/10/51/65/1423105165.db2.gz AWBKVZOWXXMTJA-UHFFFAOYSA-N -1 3 398.394 3.443 20 0 GGADHM CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1cc(F)ccc1F ZINC000155020412 1423120057 /nfs/dbraw/zinc/12/00/57/1423120057.db2.gz JAGVHPLSZDUOOE-GOSISDBHSA-N -1 3 398.413 3.229 20 0 GGADHM CCNC(=O)NCc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000155084026 1423152723 /nfs/dbraw/zinc/15/27/23/1423152723.db2.gz UCCAGAVCNGUYKO-UHFFFAOYSA-N -1 3 396.422 3.047 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1 ZINC000155101886 1423163211 /nfs/dbraw/zinc/16/32/11/1423163211.db2.gz KKRUZJJAOJPPHV-UHFFFAOYSA-N -1 3 391.840 3.115 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000155135019 1423189578 /nfs/dbraw/zinc/18/95/78/1423189578.db2.gz AWVQAXIAIYWWDM-FCHUYYIVSA-N -1 3 381.472 3.197 20 0 GGADHM Cc1ccc([C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)N2CCCC2)o1 ZINC000737319584 1423257034 /nfs/dbraw/zinc/25/70/34/1423257034.db2.gz HROFLDSZCMZKQW-SNVBAGLBSA-N -1 3 379.877 3.127 20 0 GGADHM CN(CCc1ccccc1F)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821605038 1423266261 /nfs/dbraw/zinc/26/62/61/1423266261.db2.gz ROOVCODZGFBXJL-UHFFFAOYSA-N -1 3 377.370 3.282 20 0 GGADHM CN(CCc1ccccc1F)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821605038 1423266266 /nfs/dbraw/zinc/26/62/66/1423266266.db2.gz ROOVCODZGFBXJL-UHFFFAOYSA-N -1 3 377.370 3.282 20 0 GGADHM CCOc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000155241491 1423268852 /nfs/dbraw/zinc/26/88/52/1423268852.db2.gz FKGVQZQWEVFRLP-UHFFFAOYSA-N -1 3 394.468 3.188 20 0 GGADHM CC(C)(C(=O)Nc1n[n-]c(SCCO)n1)c1ccc(-c2ccccc2)cc1 ZINC000155332415 1423320506 /nfs/dbraw/zinc/32/05/06/1423320506.db2.gz HLFXXZMOICAPJE-UHFFFAOYSA-N -1 3 382.489 3.472 20 0 GGADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3n[n-]c(SCCO)n3)c2c1 ZINC000155382029 1423341858 /nfs/dbraw/zinc/34/18/58/1423341858.db2.gz NRKCWKHBLBRKKR-UHFFFAOYSA-N -1 3 383.477 3.184 20 0 GGADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCCC2CCCC2)c(Cl)s1 ZINC000179906873 1429634093 /nfs/dbraw/zinc/63/40/93/1429634093.db2.gz DDUMFIVKBUPSAO-UHFFFAOYSA-N -1 3 385.960 3.054 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(N4CCOC4=O)c3)c[n-]c12 ZINC000155411503 1423353123 /nfs/dbraw/zinc/35/31/23/1423353123.db2.gz GYNVSUZSHJPVFJ-UHFFFAOYSA-N -1 3 381.363 3.185 20 0 GGADHM Cc1cc(C)n(-c2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cn2)n1 ZINC000155453526 1423370979 /nfs/dbraw/zinc/37/09/79/1423370979.db2.gz GSRPVQAVJJDDTA-UHFFFAOYSA-N -1 3 391.406 3.425 20 0 GGADHM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155522202 1423398870 /nfs/dbraw/zinc/39/88/70/1423398870.db2.gz YVWUZOLJPWWAPT-UHFFFAOYSA-N -1 3 395.390 3.493 20 0 GGADHM CC[C@@H](CNCc1ccc(-c2nnn[n-]2)o1)Oc1cccc(C(F)(F)F)c1 ZINC000820908491 1429638833 /nfs/dbraw/zinc/63/88/33/1429638833.db2.gz MNRXUPRZHGTXCZ-LBPRGKRZSA-N -1 3 381.358 3.426 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(N4CCOC4=O)c3C)c[n-]c12 ZINC000155559245 1423418155 /nfs/dbraw/zinc/41/81/55/1423418155.db2.gz JXBLVPZDBXDSFH-UHFFFAOYSA-N -1 3 395.390 3.493 20 0 GGADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cccc(C(=O)N2CCCC2)n1 ZINC000155612718 1423446007 /nfs/dbraw/zinc/44/60/07/1423446007.db2.gz BRYIYTFMJBBLEA-UHFFFAOYSA-N -1 3 397.435 3.228 20 0 GGADHM COc1ccc(CN(Cc2nc(=O)c3sccc3[n-]2)[C@H](CO)C(C)C)cc1 ZINC000179924427 1429643732 /nfs/dbraw/zinc/64/37/32/1429643732.db2.gz BBOMFXYLYUACLG-QGZVFWFLSA-N -1 3 387.505 3.012 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824334598 1423456213 /nfs/dbraw/zinc/45/62/13/1423456213.db2.gz YSMOMQOUVGNGEW-HNNXBMFYSA-N -1 3 394.479 3.333 20 0 GGADHM CC(C)Oc1ccccc1[C@H](C)NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824334598 1423456218 /nfs/dbraw/zinc/45/62/18/1423456218.db2.gz YSMOMQOUVGNGEW-HNNXBMFYSA-N -1 3 394.479 3.333 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821610043 1429644354 /nfs/dbraw/zinc/64/43/54/1429644354.db2.gz XWZNTRKSSAJHLU-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821610043 1429644371 /nfs/dbraw/zinc/64/43/71/1429644371.db2.gz XWZNTRKSSAJHLU-INIZCTEOSA-N -1 3 378.263 3.339 20 0 GGADHM COc1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(SC)cc1OC ZINC000737045901 1423497709 /nfs/dbraw/zinc/49/77/09/1423497709.db2.gz SHYBUNNGJISIHR-GFCCVEGCSA-N -1 3 385.493 3.457 20 0 GGADHM CC(=O)N1CC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179932324 1429648582 /nfs/dbraw/zinc/64/85/82/1429648582.db2.gz IVGMRLSWSJKDAX-ZDUSSCGKSA-N -1 3 381.457 3.476 20 0 GGADHM CN1CC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000179936109 1429650886 /nfs/dbraw/zinc/65/08/86/1429650886.db2.gz YHZGENDQCKRZBU-LBPRGKRZSA-N -1 3 381.457 3.476 20 0 GGADHM CCN1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000179936794 1429651320 /nfs/dbraw/zinc/65/13/20/1429651320.db2.gz NWIXTHFUEIQLGG-LBPRGKRZSA-N -1 3 381.457 3.476 20 0 GGADHM CCN(Cc1ccccc1C)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736555382 1429653990 /nfs/dbraw/zinc/65/39/90/1429653990.db2.gz INVZQNOTJGZCJR-UHFFFAOYSA-N -1 3 388.479 3.222 20 0 GGADHM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1c(Cl)cccc1Cl ZINC000155940916 1423603126 /nfs/dbraw/zinc/60/31/26/1423603126.db2.gz WFVUEQZLSSLFGG-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179946303 1429656064 /nfs/dbraw/zinc/65/60/64/1429656064.db2.gz CUEOXQHRIFFPIT-WDEREUQCSA-N -1 3 399.987 3.298 20 0 GGADHM C[C@@H](NCCOc1ccccc1-c1nn[n-]n1)c1ccccc1Br ZINC000824599457 1429659923 /nfs/dbraw/zinc/65/99/23/1429659923.db2.gz PFPFRVFIHVOHQD-GFCCVEGCSA-N -1 3 388.269 3.359 20 0 GGADHM C[C@@H](NCCOc1ccccc1-c1nnn[n-]1)c1ccccc1Br ZINC000824599457 1429659929 /nfs/dbraw/zinc/65/99/29/1429659929.db2.gz PFPFRVFIHVOHQD-GFCCVEGCSA-N -1 3 388.269 3.359 20 0 GGADHM CC(C)(C)O[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000156079427 1423662859 /nfs/dbraw/zinc/66/28/59/1423662859.db2.gz ATFBDVYNBAYDBZ-UHFFFAOYSA-N -1 3 382.526 3.030 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](OCC)C3)nc(=O)c2c1C ZINC000156096080 1423670878 /nfs/dbraw/zinc/67/08/78/1423670878.db2.gz VLCAXRUTXBTHGB-STQMWFEESA-N -1 3 393.509 3.032 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(=O)[n-]1 ZINC000156099903 1423672560 /nfs/dbraw/zinc/67/25/60/1423672560.db2.gz INEVBDADZKLHPU-UHFFFAOYSA-N -1 3 396.472 3.272 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1C ZINC000156193070 1423717317 /nfs/dbraw/zinc/71/73/17/1423717317.db2.gz WAKPQGQZBKDNSR-UHFFFAOYSA-N -1 3 376.478 3.265 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1C ZINC000156202610 1423722226 /nfs/dbraw/zinc/72/22/26/1423722226.db2.gz YSSIAIXWRVHFEB-UHFFFAOYSA-N -1 3 376.478 3.265 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1F ZINC000156202995 1423722976 /nfs/dbraw/zinc/72/29/76/1423722976.db2.gz FLWRUBRXKGTVGV-UHFFFAOYSA-N -1 3 379.457 3.268 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2o1 ZINC000156225042 1423734641 /nfs/dbraw/zinc/73/46/41/1423734641.db2.gz GEKQLXUIWWGQJT-NSHDSACASA-N -1 3 377.393 3.398 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000156237892 1423738701 /nfs/dbraw/zinc/73/87/01/1423738701.db2.gz VOBRPLDEWABRNZ-GOSISDBHSA-N -1 3 392.839 3.430 20 0 GGADHM CCC[C@@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1nn[n-]n1 ZINC000136671342 1423738802 /nfs/dbraw/zinc/73/88/02/1423738802.db2.gz DXODEHGCKCGVGW-LJQANCHMSA-N -1 3 378.480 3.103 20 0 GGADHM CCC[C@@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1nnn[n-]1 ZINC000136671342 1423738805 /nfs/dbraw/zinc/73/88/05/1423738805.db2.gz DXODEHGCKCGVGW-LJQANCHMSA-N -1 3 378.480 3.103 20 0 GGADHM O=C(CSc1ccccc1C(=O)NCc1ccc([O-])c(F)c1)N1CCCC1 ZINC000156245614 1423740779 /nfs/dbraw/zinc/74/07/79/1423740779.db2.gz SLWRGSMRFAQHDU-UHFFFAOYSA-N -1 3 388.464 3.176 20 0 GGADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156307251 1423768769 /nfs/dbraw/zinc/76/87/69/1423768769.db2.gz JNNOQLXASKCHTO-LIRRHRJNSA-N -1 3 384.451 3.147 20 0 GGADHM C[C@@H](NC[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584901 1423787380 /nfs/dbraw/zinc/78/73/80/1423787380.db2.gz JHFXGIJFBIAIEE-HIFRSBDPSA-N -1 3 375.448 3.122 20 0 GGADHM C[C@@H](NC[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584901 1423787384 /nfs/dbraw/zinc/78/73/84/1423787384.db2.gz JHFXGIJFBIAIEE-HIFRSBDPSA-N -1 3 375.448 3.122 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000156356567 1423795408 /nfs/dbraw/zinc/79/54/08/1423795408.db2.gz KOHBPZIXQSGMIP-CQSZACIVSA-N -1 3 377.437 3.011 20 0 GGADHM Cn1cc(CNCc2ccc(Cl)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361666 1423797656 /nfs/dbraw/zinc/79/76/56/1423797656.db2.gz IAOJLWQTNHRDQD-UHFFFAOYSA-N -1 3 379.855 3.210 20 0 GGADHM Cn1cc(CNCc2ccc(Cl)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361666 1423797660 /nfs/dbraw/zinc/79/76/60/1423797660.db2.gz IAOJLWQTNHRDQD-UHFFFAOYSA-N -1 3 379.855 3.210 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC2(c3c(F)cccc3F)CCCC2)c(=O)[n-]1 ZINC000156365858 1423800169 /nfs/dbraw/zinc/80/01/69/1423800169.db2.gz GSJHKALKTIGYGQ-UHFFFAOYSA-N -1 3 389.446 3.226 20 0 GGADHM CC(C)(C)c1csc(C2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)n1 ZINC000156396307 1423804961 /nfs/dbraw/zinc/80/49/61/1423804961.db2.gz GIVRNFSJEPQISU-UHFFFAOYSA-N -1 3 397.500 3.344 20 0 GGADHM CN(C(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1)c1ccccc1 ZINC000156426610 1423809103 /nfs/dbraw/zinc/80/91/03/1423809103.db2.gz QELQTMJBFVOGQC-LJQANCHMSA-N -1 3 398.422 3.319 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000821702272 1423822466 /nfs/dbraw/zinc/82/24/66/1423822466.db2.gz NWKLBRYAMDVKLF-RDTXWAMCSA-N -1 3 397.454 3.476 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000821702272 1423822474 /nfs/dbraw/zinc/82/24/74/1423822474.db2.gz NWKLBRYAMDVKLF-RDTXWAMCSA-N -1 3 397.454 3.476 20 0 GGADHM CC(C)c1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c2ccccc2n1 ZINC000156523458 1423822821 /nfs/dbraw/zinc/82/28/21/1423822821.db2.gz DUEFEUYEIRJBBI-UHFFFAOYSA-N -1 3 377.444 3.224 20 0 GGADHM O=Cc1ccc(OCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000156537251 1423824790 /nfs/dbraw/zinc/82/47/90/1423824790.db2.gz FGZGBTSPRRJZCA-UHFFFAOYSA-N -1 3 378.222 3.053 20 0 GGADHM Cn1cnnc1-c1cncc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000179984625 1429675166 /nfs/dbraw/zinc/67/51/66/1429675166.db2.gz AECWNYFSONUSIR-UHFFFAOYSA-N -1 3 385.427 3.426 20 0 GGADHM O=C(NCCNC(=O)C1(c2cccc(Cl)c2)CCCC1)c1ccc([O-])cc1 ZINC000156563315 1423829098 /nfs/dbraw/zinc/82/90/98/1423829098.db2.gz HWMRTTKAYAKDSK-UHFFFAOYSA-N -1 3 386.879 3.404 20 0 GGADHM CC(=O)Nc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)ccc1F ZINC000156588010 1423833194 /nfs/dbraw/zinc/83/31/94/1423833194.db2.gz HOGKRZSTDFVZSQ-UHFFFAOYSA-N -1 3 381.363 3.062 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CCC(F)(F)F)c(C)o1 ZINC000156592378 1423833636 /nfs/dbraw/zinc/83/36/36/1423833636.db2.gz YGTGAMLXVKRTSY-UHFFFAOYSA-N -1 3 390.383 3.243 20 0 GGADHM Cc1nc([C@@H]([N-]S(=O)(=O)CCc2ccccc2)c2ccc(Cl)cc2)no1 ZINC000179988579 1429677243 /nfs/dbraw/zinc/67/72/43/1429677243.db2.gz FCPITKKWQJVUMA-KRWDZBQOSA-N -1 3 391.880 3.283 20 0 GGADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(F)c1F ZINC000156801751 1423867146 /nfs/dbraw/zinc/86/71/46/1423867146.db2.gz PXXZTMPYYXZRHE-UHFFFAOYSA-N -1 3 378.356 3.100 20 0 GGADHM CC(C)Sc1ccc([C@@H](C)NCc2cnc3c(-c4nn[n-]n4)cnn3c2)cc1 ZINC000735921354 1423907653 /nfs/dbraw/zinc/90/76/53/1423907653.db2.gz QABWDLZETSDBMP-CYBMUJFWSA-N -1 3 394.508 3.261 20 0 GGADHM CC(C)Sc1ccc([C@@H](C)NCc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC000735921354 1423907657 /nfs/dbraw/zinc/90/76/57/1423907657.db2.gz QABWDLZETSDBMP-CYBMUJFWSA-N -1 3 394.508 3.261 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c1 ZINC000157110396 1423927448 /nfs/dbraw/zinc/92/74/48/1423927448.db2.gz YFEKFWSQGFJFMI-UHFFFAOYSA-N -1 3 378.310 3.253 20 0 GGADHM CCCc1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)nn1-c1ccccc1F ZINC000157168961 1423943598 /nfs/dbraw/zinc/94/35/98/1423943598.db2.gz IDEWYDNRNAUQLR-UHFFFAOYSA-N -1 3 399.817 3.307 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)c1ccc(F)cc1 ZINC000157194517 1423952016 /nfs/dbraw/zinc/95/20/16/1423952016.db2.gz ZOCLUSJJDLPGEO-UHFFFAOYSA-N -1 3 383.416 3.008 20 0 GGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC000157301112 1423978458 /nfs/dbraw/zinc/97/84/58/1423978458.db2.gz IQEOGGWGVDCLTG-UHFFFAOYSA-N -1 3 379.811 3.093 20 0 GGADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000157312186 1423981913 /nfs/dbraw/zinc/98/19/13/1423981913.db2.gz AKJJETUISRCOET-LJQANCHMSA-N -1 3 393.491 3.053 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000157488095 1424022483 /nfs/dbraw/zinc/02/24/83/1424022483.db2.gz IXVPZJFVENSEIF-GDBMZVCRSA-N -1 3 377.437 3.227 20 0 GGADHM Brc1ccc2c(c1)CC[C@H]2NCc1cc(-c2nnn[n-]2)cs1 ZINC000819689052 1424025612 /nfs/dbraw/zinc/02/56/12/1424025612.db2.gz SYSPFKDHRTYBOE-CQSZACIVSA-N -1 3 376.283 3.468 20 0 GGADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000157637082 1424054511 /nfs/dbraw/zinc/05/45/11/1424054511.db2.gz ZYRSAXKAXGCEBO-HNNXBMFYSA-N -1 3 399.466 3.473 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC(OCc2ccccc2)CC1 ZINC000826169252 1424062593 /nfs/dbraw/zinc/06/25/93/1424062593.db2.gz MHUZGAMEAYOUNC-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC(OCc2ccccc2)CC1 ZINC000826169252 1424062598 /nfs/dbraw/zinc/06/25/98/1424062598.db2.gz MHUZGAMEAYOUNC-UHFFFAOYSA-N -1 3 379.464 3.057 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3nnc(-c4ccsc4)o3)nc21 ZINC000157807245 1424092038 /nfs/dbraw/zinc/09/20/38/1424092038.db2.gz NSKWZIZUFICGRA-UHFFFAOYSA-N -1 3 397.416 3.032 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@]4(CCc5ccccc54)C3)nc2)n1 ZINC000157857269 1424105250 /nfs/dbraw/zinc/10/52/50/1424105250.db2.gz RWIVTNPQWJYWGU-QHCPKHFHSA-N -1 3 388.471 3.073 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000157861660 1424105931 /nfs/dbraw/zinc/10/59/31/1424105931.db2.gz ZMGRQMKEFQJBHJ-CYBMUJFWSA-N -1 3 379.382 3.135 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000157861543 1424106082 /nfs/dbraw/zinc/10/60/82/1424106082.db2.gz ZMGRQMKEFQJBHJ-ZDUSSCGKSA-N -1 3 379.382 3.135 20 0 GGADHM CCCCn1ccnc1-c1cccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000157934910 1424123153 /nfs/dbraw/zinc/12/31/53/1424123153.db2.gz NMVMWDOGAFPVKF-UHFFFAOYSA-N -1 3 379.464 3.232 20 0 GGADHM COc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1[O-] ZINC000158040960 1424146470 /nfs/dbraw/zinc/14/64/70/1424146470.db2.gz CCKQAYVFISDAAL-UHFFFAOYSA-N -1 3 390.867 3.021 20 0 GGADHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000158053732 1424151184 /nfs/dbraw/zinc/15/11/84/1424151184.db2.gz GDSVDFHTPLMZIT-OAHLLOKOSA-N -1 3 389.839 3.348 20 0 GGADHM O=C1OC2(CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)c2ccc(Cl)cc21 ZINC001139853559 1424172573 /nfs/dbraw/zinc/17/25/73/1424172573.db2.gz RYWIMZIQAKYHDW-UHFFFAOYSA-N -1 3 395.850 3.182 20 0 GGADHM CCCN1CCN(c2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2Cl)CC1 ZINC000158317877 1424224625 /nfs/dbraw/zinc/22/46/25/1424224625.db2.gz FGIMTVUXBZMUQS-GOSISDBHSA-N -1 3 396.919 3.452 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000822740167 1424233636 /nfs/dbraw/zinc/23/36/36/1424233636.db2.gz HQBLBUIYXFERGN-HXUWFJFHSA-N -1 3 380.471 3.323 20 0 GGADHM COCCOc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)nc2ccccc21 ZINC000158376858 1424239839 /nfs/dbraw/zinc/23/98/39/1424239839.db2.gz WJGQTRRMTQDBNE-UHFFFAOYSA-N -1 3 398.366 3.383 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1O ZINC000158386418 1424242101 /nfs/dbraw/zinc/24/21/01/1424242101.db2.gz JOWDMKLJIRZTRM-UHFFFAOYSA-N -1 3 393.358 3.080 20 0 GGADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccncc1 ZINC000158392281 1424243833 /nfs/dbraw/zinc/24/38/33/1424243833.db2.gz HKRJVKYUMDRBMG-INIZCTEOSA-N -1 3 393.484 3.179 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc(F)c(F)c3)nc21 ZINC000158425594 1424251338 /nfs/dbraw/zinc/25/13/38/1424251338.db2.gz BQDYMHSNHSXVTK-VIFPVBQESA-N -1 3 375.331 3.034 20 0 GGADHM COc1ccc(CCNC(=O)NCc2ccc([O-])c(F)c2)cc1OC(F)F ZINC000158448846 1424257279 /nfs/dbraw/zinc/25/72/79/1424257279.db2.gz VUFBLNOOPDRNLO-UHFFFAOYSA-N -1 3 384.354 3.183 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCN(C(=O)C2CC2)CC1 ZINC000158537673 1424283063 /nfs/dbraw/zinc/28/30/63/1424283063.db2.gz OTIZDRISNNHPAQ-UHFFFAOYSA-N -1 3 380.444 3.269 20 0 GGADHM COCCOCCCCNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000158579999 1424294903 /nfs/dbraw/zinc/29/49/03/1424294903.db2.gz IHLYBKBKAUGIKB-UHFFFAOYSA-N -1 3 385.679 3.111 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCO[C@@]4(CCc5ccccc54)C3)cc(=O)oc12 ZINC000158600329 1424299494 /nfs/dbraw/zinc/29/94/94/1424299494.db2.gz JAPCVIGUVPTCCO-QHCPKHFHSA-N -1 3 377.440 3.481 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820854297 1424302688 /nfs/dbraw/zinc/30/26/88/1424302688.db2.gz SYZQDRKWIJVSKA-SFHVURJKSA-N -1 3 390.850 3.392 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820854297 1424302696 /nfs/dbraw/zinc/30/26/96/1424302696.db2.gz SYZQDRKWIJVSKA-SFHVURJKSA-N -1 3 390.850 3.392 20 0 GGADHM Cn1cc(CNCc2ccc(Cl)s2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361954 1424305729 /nfs/dbraw/zinc/30/57/29/1424305729.db2.gz XHQQRRCGSZYRGQ-UHFFFAOYSA-N -1 3 385.884 3.272 20 0 GGADHM Cn1cc(CNCc2ccc(Cl)s2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361954 1424305736 /nfs/dbraw/zinc/30/57/36/1424305736.db2.gz XHQQRRCGSZYRGQ-UHFFFAOYSA-N -1 3 385.884 3.272 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cnc(Cl)c(Cl)c1 ZINC000158759702 1424336333 /nfs/dbraw/zinc/33/63/33/1424336333.db2.gz SUKZEMMFTITTFX-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2cccn2)c1)c1cnc(Cl)c(Cl)c1 ZINC000158794116 1424343782 /nfs/dbraw/zinc/34/37/82/1424343782.db2.gz HIGARHMDTMLSIW-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1cnc(Cl)c(Cl)c1 ZINC000158796449 1424344536 /nfs/dbraw/zinc/34/45/36/1424344536.db2.gz BBKLWILXPLMBMG-LBPRGKRZSA-N -1 3 386.304 3.193 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3c(F)cccc3NC(C)C)cc12 ZINC000158874379 1424361536 /nfs/dbraw/zinc/36/15/36/1424361536.db2.gz RUVOVPLOXZESPC-UHFFFAOYSA-N -1 3 377.445 3.037 20 0 GGADHM CCC[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000180065107 1429721083 /nfs/dbraw/zinc/72/10/83/1429721083.db2.gz LWBPYRIWUXFZKT-SFTDATJTSA-N -1 3 396.487 3.281 20 0 GGADHM CC[C@](C)(NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1nc(C)cs1 ZINC000180065533 1429721795 /nfs/dbraw/zinc/72/17/95/1429721795.db2.gz VAEPCFVXEISOGV-IBGZPJMESA-N -1 3 375.494 3.027 20 0 GGADHM CC(C)Sc1ccc([C@H](C)NCc2cnc3c(-c4nn[n-]n4)cnn3c2)cc1 ZINC000735921355 1424378768 /nfs/dbraw/zinc/37/87/68/1424378768.db2.gz QABWDLZETSDBMP-ZDUSSCGKSA-N -1 3 394.508 3.261 20 0 GGADHM CC(C)Sc1ccc([C@H](C)NCc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC000735921355 1424378778 /nfs/dbraw/zinc/37/87/78/1424378778.db2.gz QABWDLZETSDBMP-ZDUSSCGKSA-N -1 3 394.508 3.261 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737345435 1424393280 /nfs/dbraw/zinc/39/32/80/1424393280.db2.gz RELSGQCYVWEKFV-KBXCAEBGSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@@H](N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737345435 1424393286 /nfs/dbraw/zinc/39/32/86/1424393286.db2.gz RELSGQCYVWEKFV-KBXCAEBGSA-N -1 3 394.454 3.160 20 0 GGADHM C[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824554158 1424397216 /nfs/dbraw/zinc/39/72/16/1424397216.db2.gz NFAIXOBUXGTSLJ-MRXNPFEDSA-N -1 3 392.507 3.345 20 0 GGADHM C[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824554158 1424397227 /nfs/dbraw/zinc/39/72/27/1424397227.db2.gz NFAIXOBUXGTSLJ-MRXNPFEDSA-N -1 3 392.507 3.345 20 0 GGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000159063099 1424408025 /nfs/dbraw/zinc/40/80/25/1424408025.db2.gz MXZAMNBZGSTQON-HNNXBMFYSA-N -1 3 386.879 3.209 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CSCCC[N-]C(=O)C(F)(F)F)CC1 ZINC000159110172 1424418963 /nfs/dbraw/zinc/41/89/63/1424418963.db2.gz GPFBAEPBUAVSQE-UHFFFAOYSA-N -1 3 384.464 3.435 20 0 GGADHM CCOc1ccc(Cl)cc1CCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000159223807 1424450692 /nfs/dbraw/zinc/45/06/92/1424450692.db2.gz NDKNWDDTPGERJI-UHFFFAOYSA-N -1 3 376.840 3.375 20 0 GGADHM CCCC1(CNC(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)CCC1 ZINC000159292787 1424475335 /nfs/dbraw/zinc/47/53/35/1424475335.db2.gz IUHKEZNDEAIBNW-UHFFFAOYSA-N -1 3 396.491 3.024 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000159320254 1424484044 /nfs/dbraw/zinc/48/40/44/1424484044.db2.gz DDZSEZDJPPQZOV-SNVBAGLBSA-N -1 3 396.715 3.176 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C)cc2)sc1Br ZINC000159423554 1424501521 /nfs/dbraw/zinc/50/15/21/1424501521.db2.gz AESWCYHHUTZBRT-LBPRGKRZSA-N -1 3 390.324 3.139 20 0 GGADHM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000159494915 1424507043 /nfs/dbraw/zinc/50/70/43/1424507043.db2.gz MXAGDQTYHOJMSU-AWEZNQCLSA-N -1 3 376.261 3.014 20 0 GGADHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000159503056 1424508405 /nfs/dbraw/zinc/50/84/05/1424508405.db2.gz ONGKXRRYZTVHQX-CYBMUJFWSA-N -1 3 376.261 3.014 20 0 GGADHM O=C(CCc1ccccc1O)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000180091642 1429733697 /nfs/dbraw/zinc/73/36/97/1429733697.db2.gz UJEGWQQOWIIWGF-UHFFFAOYSA-N -1 3 397.656 3.202 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)c3ccccc3Cl)c2)n1 ZINC000159876116 1424547901 /nfs/dbraw/zinc/54/79/01/1424547901.db2.gz HNAMEQNAVDBUOV-GOSISDBHSA-N -1 3 383.835 3.325 20 0 GGADHM CC(C)OC(=O)CCCNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000160163671 1424581550 /nfs/dbraw/zinc/58/15/50/1424581550.db2.gz PREFRCRSESITTN-UHFFFAOYSA-N -1 3 383.663 3.400 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160262317 1424591577 /nfs/dbraw/zinc/59/15/77/1424591577.db2.gz RSACQMUZAVQQED-UHFFFAOYSA-N -1 3 376.682 3.206 20 0 GGADHM COc1ccc(CN(C)Cc2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000826192861 1424592190 /nfs/dbraw/zinc/59/21/90/1424592190.db2.gz FZELNQHSICKYNV-UHFFFAOYSA-N -1 3 388.269 3.270 20 0 GGADHM COc1ccc(CN(C)Cc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000826192861 1424592192 /nfs/dbraw/zinc/59/21/92/1424592192.db2.gz FZELNQHSICKYNV-UHFFFAOYSA-N -1 3 388.269 3.270 20 0 GGADHM C[C@@]1(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000736223097 1424603167 /nfs/dbraw/zinc/60/31/67/1424603167.db2.gz MQANJFYUYGYXNK-HXUWFJFHSA-N -1 3 396.882 3.300 20 0 GGADHM C[C@@]1(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000736223097 1424603170 /nfs/dbraw/zinc/60/31/70/1424603170.db2.gz MQANJFYUYGYXNK-HXUWFJFHSA-N -1 3 396.882 3.300 20 0 GGADHM Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(Br)cc2Cl)nc1 ZINC000160682986 1424626486 /nfs/dbraw/zinc/62/64/86/1424626486.db2.gz MFKJJRBBTGDJBF-UHFFFAOYSA-N -1 3 383.633 3.272 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC2(CCC2)C1 ZINC000180108562 1429741350 /nfs/dbraw/zinc/74/13/50/1429741350.db2.gz LNMDWKMITNLGDE-FQEVSTJZSA-N -1 3 394.471 3.035 20 0 GGADHM CC[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)N(CC)CC ZINC000736315462 1429741779 /nfs/dbraw/zinc/74/17/79/1429741779.db2.gz YTLILOWQEBPKHK-QGZVFWFLSA-N -1 3 395.467 3.113 20 0 GGADHM CC[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)N(CC)CC ZINC000736315462 1429741784 /nfs/dbraw/zinc/74/17/84/1429741784.db2.gz YTLILOWQEBPKHK-QGZVFWFLSA-N -1 3 395.467 3.113 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000826183213 1424661428 /nfs/dbraw/zinc/66/14/28/1424661428.db2.gz ICYNTZVSQJIPTJ-SFHVURJKSA-N -1 3 395.438 3.252 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000826183213 1424661436 /nfs/dbraw/zinc/66/14/36/1424661436.db2.gz ICYNTZVSQJIPTJ-SFHVURJKSA-N -1 3 395.438 3.252 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824808506 1429747359 /nfs/dbraw/zinc/74/73/59/1429747359.db2.gz TUFBVELTIKHCSS-MRXNPFEDSA-N -1 3 382.493 3.170 20 0 GGADHM CC1(C)CCc2ccccc2[C@H]1NCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824808506 1429747366 /nfs/dbraw/zinc/74/73/66/1429747366.db2.gz TUFBVELTIKHCSS-MRXNPFEDSA-N -1 3 382.493 3.170 20 0 GGADHM COc1cc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc(OC)c1[O-] ZINC000161561566 1424710993 /nfs/dbraw/zinc/71/09/93/1424710993.db2.gz GPNFZAGDSSPBTP-UHFFFAOYSA-N -1 3 395.459 3.266 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000161574053 1424715285 /nfs/dbraw/zinc/71/52/85/1424715285.db2.gz ONLVZJAYWIVOON-SNVBAGLBSA-N -1 3 385.816 3.432 20 0 GGADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000161574381 1424715366 /nfs/dbraw/zinc/71/53/66/1424715366.db2.gz YTTMLYOSZRGGIS-UHFFFAOYSA-N -1 3 386.477 3.066 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000161574314 1424715542 /nfs/dbraw/zinc/71/55/42/1424715542.db2.gz MPNCWBLLHJBHKF-CYBMUJFWSA-N -1 3 399.312 3.135 20 0 GGADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000161577200 1424716417 /nfs/dbraw/zinc/71/64/17/1424716417.db2.gz HUPCNPJSOWNPBU-UHFFFAOYSA-N -1 3 386.477 3.318 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccc(COC)o3)nc2)n1 ZINC000161606364 1424722256 /nfs/dbraw/zinc/72/22/56/1424722256.db2.gz CVYSSGKTFDYYGM-QGZVFWFLSA-N -1 3 380.448 3.475 20 0 GGADHM C[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547462 1424741465 /nfs/dbraw/zinc/74/14/65/1424741465.db2.gz OOXODIQPTFUAEQ-SCLBCKFNSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@H](N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547462 1424741471 /nfs/dbraw/zinc/74/14/71/1424741471.db2.gz OOXODIQPTFUAEQ-SCLBCKFNSA-N -1 3 396.882 3.366 20 0 GGADHM CCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000180127825 1429749791 /nfs/dbraw/zinc/74/97/91/1429749791.db2.gz VRCHFZMPMWFMQV-UHFFFAOYSA-N -1 3 387.461 3.175 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000736288380 1429750192 /nfs/dbraw/zinc/75/01/92/1429750192.db2.gz BGJDQLYEPREHFV-JFIYKMOQSA-N -1 3 390.491 3.319 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000736288380 1429750196 /nfs/dbraw/zinc/75/01/96/1429750196.db2.gz BGJDQLYEPREHFV-JFIYKMOQSA-N -1 3 390.491 3.319 20 0 GGADHM O=C(NCCNC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000161852078 1424779830 /nfs/dbraw/zinc/77/98/30/1424779830.db2.gz NPFODIDMDZENDR-UHFFFAOYSA-N -1 3 380.366 3.047 20 0 GGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)cc1 ZINC000161955786 1424802992 /nfs/dbraw/zinc/80/29/92/1424802992.db2.gz FIBJAWNAFYOGGS-UHFFFAOYSA-N -1 3 395.546 3.273 20 0 GGADHM COc1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC(F)F ZINC000826179564 1424812710 /nfs/dbraw/zinc/81/27/10/1424812710.db2.gz UTPKDXPWOHLBSC-JTQLQIEISA-N -1 3 393.369 3.467 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000162148656 1424820093 /nfs/dbraw/zinc/82/00/93/1424820093.db2.gz IWLLAKNMRMHTGD-UHFFFAOYSA-N -1 3 385.493 3.237 20 0 GGADHM C[C@@H](NCc1cnc2ccc(Br)cn12)c1cccc(-c2nn[n-]n2)c1 ZINC000820438100 1424853764 /nfs/dbraw/zinc/85/37/64/1424853764.db2.gz IRBQBGXOMMPQLF-LLVKDONJSA-N -1 3 398.268 3.128 20 0 GGADHM C[C@@H](NCc1cnc2ccc(Br)cn12)c1cccc(-c2nnn[n-]2)c1 ZINC000820438100 1424853767 /nfs/dbraw/zinc/85/37/67/1424853767.db2.gz IRBQBGXOMMPQLF-LLVKDONJSA-N -1 3 398.268 3.128 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4csc(C)n4)c[nH]3)nc21 ZINC000162504278 1424859742 /nfs/dbraw/zinc/85/97/42/1424859742.db2.gz BCNJQUNNOBDXMP-UHFFFAOYSA-N -1 3 381.417 3.362 20 0 GGADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)[C@@H]1CCSC1 ZINC000162524644 1424861778 /nfs/dbraw/zinc/86/17/78/1424861778.db2.gz KPYNUMXDPOLXKG-CQSZACIVSA-N -1 3 394.493 3.204 20 0 GGADHM COc1cc(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc(OC)c1[O-] ZINC000162659538 1424876160 /nfs/dbraw/zinc/87/61/60/1424876160.db2.gz RMHBIQSJPSEBBM-CQSZACIVSA-N -1 3 395.459 3.265 20 0 GGADHM CSc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821984816 1424911572 /nfs/dbraw/zinc/91/15/72/1424911572.db2.gz ULPSGXQTKOSVCF-CHWSQXEVSA-N -1 3 382.493 3.266 20 0 GGADHM CSc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821984816 1424911575 /nfs/dbraw/zinc/91/15/75/1424911575.db2.gz ULPSGXQTKOSVCF-CHWSQXEVSA-N -1 3 382.493 3.266 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(OC)c(-c3nn[n-]n3)c1)CCC2 ZINC000825749686 1424915514 /nfs/dbraw/zinc/91/55/14/1424915514.db2.gz GBFSXPYXELJOIE-HNNXBMFYSA-N -1 3 384.509 3.404 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(OC)c(-c3nnn[n-]3)c1)CCC2 ZINC000825749686 1424915517 /nfs/dbraw/zinc/91/55/17/1424915517.db2.gz GBFSXPYXELJOIE-HNNXBMFYSA-N -1 3 384.509 3.404 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(CC(=O)NC(C)C)cc3)c[n-]c12 ZINC000163030769 1424926585 /nfs/dbraw/zinc/92/65/85/1424926585.db2.gz ZGQOUIMCWLFYGW-UHFFFAOYSA-N -1 3 395.434 3.295 20 0 GGADHM CCOC(=O)Cc1csc([N-]c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000163085481 1424937041 /nfs/dbraw/zinc/93/70/41/1424937041.db2.gz JAWBYAHDHFNIMS-UHFFFAOYSA-N -1 3 380.433 3.121 20 0 GGADHM CC(=O)NCCCc1ccc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)cc1 ZINC000163132638 1424947687 /nfs/dbraw/zinc/94/76/87/1424947687.db2.gz SFIRYIRAFOHKJC-UHFFFAOYSA-N -1 3 393.476 3.289 20 0 GGADHM CC(C)Cc1ccc([C@@H](C)NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280591 1424949402 /nfs/dbraw/zinc/94/94/02/1424949402.db2.gz PSELIDSKJGQEMX-MRXNPFEDSA-N -1 3 392.507 3.032 20 0 GGADHM CC(C)Cc1ccc([C@@H](C)NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280591 1424949404 /nfs/dbraw/zinc/94/94/04/1424949404.db2.gz PSELIDSKJGQEMX-MRXNPFEDSA-N -1 3 392.507 3.032 20 0 GGADHM Cc1nc([N-]c2ncnc3ncccc23)sc1C1N=NC(=S)N1C1CC1 ZINC000163223291 1424962136 /nfs/dbraw/zinc/96/21/36/1424962136.db2.gz PPVPZDRWYOIICZ-UHFFFAOYSA-N -1 3 382.478 3.415 20 0 GGADHM C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577144 1424968689 /nfs/dbraw/zinc/96/86/89/1424968689.db2.gz HGPKTDBPKRAVQP-TZMCWYRMSA-N -1 3 390.463 3.056 20 0 GGADHM C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577144 1424968695 /nfs/dbraw/zinc/96/86/95/1424968695.db2.gz HGPKTDBPKRAVQP-TZMCWYRMSA-N -1 3 390.463 3.056 20 0 GGADHM Cc1ccc([C@@H]2CSCCN2CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000737331336 1424973297 /nfs/dbraw/zinc/97/32/97/1424973297.db2.gz MBWZOBUIRHCWJN-SFHVURJKSA-N -1 3 381.505 3.344 20 0 GGADHM Cc1ccc([C@@H]2CSCCN2CCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000737331336 1424973304 /nfs/dbraw/zinc/97/33/04/1424973304.db2.gz MBWZOBUIRHCWJN-SFHVURJKSA-N -1 3 381.505 3.344 20 0 GGADHM c1cc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n(CCc2ccccc2)n1 ZINC000826521555 1424981723 /nfs/dbraw/zinc/98/17/23/1424981723.db2.gz QTXVJZUACYHAHZ-QFIPXVFZSA-N -1 3 399.502 3.473 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)cc(OC)c1[O-] ZINC000163472950 1425004615 /nfs/dbraw/zinc/00/46/15/1425004615.db2.gz VTELXGHEHNZXQV-INIZCTEOSA-N -1 3 388.439 3.256 20 0 GGADHM COc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc(OC)c1[O-] ZINC000163474392 1425004920 /nfs/dbraw/zinc/00/49/20/1425004920.db2.gz HSDOKNJTTOHGNM-UHFFFAOYSA-N -1 3 387.276 3.366 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000163518033 1425010723 /nfs/dbraw/zinc/01/07/23/1425010723.db2.gz XEHXLKRRXVYFBP-NWDGAFQWSA-N -1 3 375.429 3.087 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000163518268 1425010780 /nfs/dbraw/zinc/01/07/80/1425010780.db2.gz XEHXLKRRXVYFBP-VXGBXAGGSA-N -1 3 375.429 3.087 20 0 GGADHM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)[C@H]1CCSC1 ZINC000163624175 1425026100 /nfs/dbraw/zinc/02/61/00/1425026100.db2.gz ZMAGGUSAKKEHOM-AWEZNQCLSA-N -1 3 394.493 3.204 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000163678984 1425032653 /nfs/dbraw/zinc/03/26/53/1425032653.db2.gz BOTJCBJGZHOCKS-LJQANCHMSA-N -1 3 376.403 3.326 20 0 GGADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(CS(C)(=O)=O)c3C)c[n-]c12 ZINC000163740320 1425039881 /nfs/dbraw/zinc/03/98/81/1425039881.db2.gz JUURGQOXJNOWSY-UHFFFAOYSA-N -1 3 384.457 3.354 20 0 GGADHM COCC[S@@](=O)Cc1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC000163740569 1425039908 /nfs/dbraw/zinc/03/99/08/1425039908.db2.gz RISYRZMDMBYUHX-NDEPHWFRSA-N -1 3 398.484 3.396 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2C)C(C)C)c(-c2nn[n-]n2)c1C ZINC000826305860 1425097140 /nfs/dbraw/zinc/09/71/40/1425097140.db2.gz KDHLMDNLMGWXOH-SFHVURJKSA-N -1 3 382.468 3.310 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826305860 1425097146 /nfs/dbraw/zinc/09/71/46/1425097146.db2.gz KDHLMDNLMGWXOH-SFHVURJKSA-N -1 3 382.468 3.310 20 0 GGADHM CCCNC(=O)c1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000164312823 1425097967 /nfs/dbraw/zinc/09/79/67/1425097967.db2.gz NKXDBXQRZJBEHV-UHFFFAOYSA-N -1 3 381.407 3.368 20 0 GGADHM CCN1CCN(Cc2cc(Br)c([O-])c(Br)c2)C[C@@H]1C ZINC000233483781 1433373413 /nfs/dbraw/zinc/37/34/13/1433373413.db2.gz UOANAUZHUAVQDP-JTQLQIEISA-N -1 3 392.135 3.443 20 0 GGADHM Cc1cc(C)c(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000164608727 1425128716 /nfs/dbraw/zinc/12/87/16/1425128716.db2.gz VPMXEOCMWPXRPB-UHFFFAOYSA-N -1 3 394.258 3.318 20 0 GGADHM CCc1cccc(C)c1NC(=O)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000164605166 1425128793 /nfs/dbraw/zinc/12/87/93/1425128793.db2.gz UAYGEIVBGXELJS-UHFFFAOYSA-N -1 3 394.258 3.264 20 0 GGADHM C[C@H]1CSCCN1Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825012315 1425129883 /nfs/dbraw/zinc/12/98/83/1425129883.db2.gz GXQUMLQVZGRDIT-HNNXBMFYSA-N -1 3 381.505 3.383 20 0 GGADHM C[C@H]1CSCCN1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825012315 1425129888 /nfs/dbraw/zinc/12/98/88/1425129888.db2.gz GXQUMLQVZGRDIT-HNNXBMFYSA-N -1 3 381.505 3.383 20 0 GGADHM COCCOCCS(=O)(=O)[N-]c1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000164792172 1425143094 /nfs/dbraw/zinc/14/30/94/1425143094.db2.gz HEGNINMWVRVKNO-UHFFFAOYSA-N -1 3 389.395 3.176 20 0 GGADHM CCOC(=O)C(C)(C)n1cc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cn1 ZINC000164851782 1425146953 /nfs/dbraw/zinc/14/69/53/1425146953.db2.gz KWXHUKSYCZGEIB-MDZDMXLPSA-N -1 3 397.884 3.247 20 0 GGADHM CCOc1nnc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000164996508 1425154929 /nfs/dbraw/zinc/15/49/29/1425154929.db2.gz SXKNFHVYCQYLSH-UHFFFAOYSA-N -1 3 396.900 3.147 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)c(C)o1 ZINC000165046160 1425158433 /nfs/dbraw/zinc/15/84/33/1425158433.db2.gz VFDOJSQRBPWCFI-SFHVURJKSA-N -1 3 394.468 3.297 20 0 GGADHM CCc1c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cnn1CC(C)C ZINC000166692114 1425216764 /nfs/dbraw/zinc/21/67/64/1425216764.db2.gz JIHJYHGPUJIIMA-UHFFFAOYSA-N -1 3 380.448 3.379 20 0 GGADHM O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1[O-] ZINC000169859501 1425259366 /nfs/dbraw/zinc/25/93/66/1425259366.db2.gz RNYDLVQGJUOBCJ-UHFFFAOYSA-N -1 3 392.377 3.446 20 0 GGADHM Cc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000169865956 1425260061 /nfs/dbraw/zinc/26/00/61/1425260061.db2.gz JVZAENIXNVZHMC-UHFFFAOYSA-N -1 3 396.487 3.281 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@@H](C(C)(C)C)C1 ZINC000824052343 1425264697 /nfs/dbraw/zinc/26/46/97/1425264697.db2.gz NLDPMWCVGYSBMO-NWDGAFQWSA-N -1 3 388.541 3.112 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@@H](C(C)(C)C)C1 ZINC000824052343 1425264703 /nfs/dbraw/zinc/26/47/03/1425264703.db2.gz NLDPMWCVGYSBMO-NWDGAFQWSA-N -1 3 388.541 3.112 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000170652927 1425278562 /nfs/dbraw/zinc/27/85/62/1425278562.db2.gz QQOCYFFSMHJADE-OAHLLOKOSA-N -1 3 388.464 3.330 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CC=C(C(C)(C)C)CC1 ZINC000826334944 1425285874 /nfs/dbraw/zinc/28/58/74/1425285874.db2.gz QANPUFAHVXUWKK-UHFFFAOYSA-N -1 3 378.484 3.069 20 0 GGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000736198849 1425296957 /nfs/dbraw/zinc/29/69/57/1425296957.db2.gz VFOWHRAUFJUXMJ-AWEZNQCLSA-N -1 3 377.448 3.228 20 0 GGADHM COc1ccccc1-c1nc([N-]C(=O)c2cnc(-c3ccccn3)s2)n[nH]1 ZINC000170780583 1425341114 /nfs/dbraw/zinc/34/11/14/1425341114.db2.gz LKNDCJDHUFBKCZ-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c([O-])c1 ZINC000170826446 1425357255 /nfs/dbraw/zinc/35/72/55/1425357255.db2.gz WPVHJLKKCNYMFJ-FQEVSTJZSA-N -1 3 394.475 3.210 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(COCC3CC3)c2)c([O-])c1 ZINC000170828612 1425357995 /nfs/dbraw/zinc/35/79/95/1425357995.db2.gz GAOBWIHWINFFBK-UHFFFAOYSA-N -1 3 382.460 3.386 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCc4ccccc4[C@H]3C)nc(=O)c2c1C ZINC000170954591 1425415070 /nfs/dbraw/zinc/41/50/70/1425415070.db2.gz XSEDBQUGKGFKEC-GFCCVEGCSA-N -1 3 383.473 3.199 20 0 GGADHM CC[C@@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736322735 1425445824 /nfs/dbraw/zinc/44/58/24/1425445824.db2.gz OLOZABYUWAGMNQ-CQSZACIVSA-N -1 3 395.511 3.002 20 0 GGADHM CC[C@@H](C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccccc1 ZINC000736322735 1425445827 /nfs/dbraw/zinc/44/58/27/1425445827.db2.gz OLOZABYUWAGMNQ-CQSZACIVSA-N -1 3 395.511 3.002 20 0 GGADHM COC(=O)c1coc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000171032916 1425448783 /nfs/dbraw/zinc/44/87/83/1425448783.db2.gz QEPUYNOGXZKGHE-UHFFFAOYSA-N -1 3 392.839 3.276 20 0 GGADHM CCS[C@H]1CCCCN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000736668332 1425452081 /nfs/dbraw/zinc/45/20/81/1425452081.db2.gz ZQHZMRTYOUWQRW-KRWDZBQOSA-N -1 3 383.525 3.295 20 0 GGADHM CCS[C@H]1CCCCN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000736668332 1425452089 /nfs/dbraw/zinc/45/20/89/1425452089.db2.gz ZQHZMRTYOUWQRW-KRWDZBQOSA-N -1 3 383.525 3.295 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1C ZINC000171090407 1425477204 /nfs/dbraw/zinc/47/72/04/1425477204.db2.gz UWDZMTJPYYLNGE-UHFFFAOYSA-N -1 3 394.468 3.089 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000171187810 1425530758 /nfs/dbraw/zinc/53/07/58/1425530758.db2.gz KVYZFVNPSANLBY-GOSISDBHSA-N -1 3 382.460 3.193 20 0 GGADHM C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486732 1425532237 /nfs/dbraw/zinc/53/22/37/1425532237.db2.gz CNVTUOABVQDTTR-INIZCTEOSA-N -1 3 391.475 3.383 20 0 GGADHM C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486732 1425532245 /nfs/dbraw/zinc/53/22/45/1425532245.db2.gz CNVTUOABVQDTTR-INIZCTEOSA-N -1 3 391.475 3.383 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)no1 ZINC000171237043 1425558912 /nfs/dbraw/zinc/55/89/12/1425558912.db2.gz UOEQLQSUPVKALN-UHFFFAOYSA-N -1 3 391.471 3.237 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000819877491 1425563490 /nfs/dbraw/zinc/56/34/90/1425563490.db2.gz WWPIEWQBQNOJBB-ZMSDIMECSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000819877491 1425563493 /nfs/dbraw/zinc/56/34/93/1425563493.db2.gz WWPIEWQBQNOJBB-ZMSDIMECSA-N -1 3 376.464 3.072 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826212366 1425614762 /nfs/dbraw/zinc/61/47/62/1425614762.db2.gz OKQRUCCTSXTJIY-LJQANCHMSA-N -1 3 379.464 3.393 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826212366 1425614764 /nfs/dbraw/zinc/61/47/64/1425614764.db2.gz OKQRUCCTSXTJIY-LJQANCHMSA-N -1 3 379.464 3.393 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)C2CC2)c(C(F)(F)F)c1 ZINC000171337632 1425624651 /nfs/dbraw/zinc/62/46/51/1425624651.db2.gz RLFMFOSMIBVFNS-UHFFFAOYSA-N -1 3 389.355 3.158 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820402383 1425641151 /nfs/dbraw/zinc/64/11/51/1425641151.db2.gz DCMMDXPFZHQGIU-XHSDSOJGSA-N -1 3 390.491 3.274 20 0 GGADHM CC(=O)N1CC[C@H](N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc21 ZINC000823972723 1425662384 /nfs/dbraw/zinc/66/23/84/1425662384.db2.gz FUGOIOVTUTZDKC-XIKOKIGWSA-N -1 3 380.427 3.154 20 0 GGADHM CC(=O)N1CC[C@H](N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc21 ZINC000823972723 1425662392 /nfs/dbraw/zinc/66/23/92/1425662392.db2.gz FUGOIOVTUTZDKC-XIKOKIGWSA-N -1 3 380.427 3.154 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)oc1C ZINC000171418118 1425670576 /nfs/dbraw/zinc/67/05/76/1425670576.db2.gz QVRNGAPOLYNTLF-UHFFFAOYSA-N -1 3 395.330 3.011 20 0 GGADHM CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000820967909 1425699301 /nfs/dbraw/zinc/69/93/01/1425699301.db2.gz YEVQABFXEBHGLL-XJKSGUPXSA-N -1 3 399.543 3.459 20 0 GGADHM CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000820967909 1425699304 /nfs/dbraw/zinc/69/93/04/1425699304.db2.gz YEVQABFXEBHGLL-XJKSGUPXSA-N -1 3 399.543 3.459 20 0 GGADHM Clc1ccccc1Cn1cc(CNCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737583528 1425715293 /nfs/dbraw/zinc/71/52/93/1425715293.db2.gz LZCZLTLGYUGFTG-UHFFFAOYSA-N -1 3 379.855 3.055 20 0 GGADHM CN(C)[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1ccsc1 ZINC000736759604 1425738262 /nfs/dbraw/zinc/73/82/62/1425738262.db2.gz NKXZYQQVPYXOPM-INIZCTEOSA-N -1 3 399.911 3.267 20 0 GGADHM CN(C)[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1ccsc1 ZINC000736759604 1425738265 /nfs/dbraw/zinc/73/82/65/1425738265.db2.gz NKXZYQQVPYXOPM-INIZCTEOSA-N -1 3 399.911 3.267 20 0 GGADHM CN(C)[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(F)cc1 ZINC000825848305 1425742474 /nfs/dbraw/zinc/74/24/74/1425742474.db2.gz CBUQATHUIIFUKS-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM CN(C)[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(F)cc1 ZINC000825848305 1425742480 /nfs/dbraw/zinc/74/24/80/1425742480.db2.gz CBUQATHUIIFUKS-GOSISDBHSA-N -1 3 377.427 3.269 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCS1 ZINC000171579843 1425743508 /nfs/dbraw/zinc/74/35/08/1425743508.db2.gz YZGSWLVFKFETJQ-CYBMUJFWSA-N -1 3 394.493 3.204 20 0 GGADHM CCC[C@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000825225058 1425767786 /nfs/dbraw/zinc/76/77/86/1425767786.db2.gz KJJJCQQRPCTTMT-FOIQADDNSA-N -1 3 392.507 3.441 20 0 GGADHM CCC[C@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000825225058 1425767789 /nfs/dbraw/zinc/76/77/89/1425767789.db2.gz KJJJCQQRPCTTMT-FOIQADDNSA-N -1 3 392.507 3.441 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000822015713 1425815648 /nfs/dbraw/zinc/81/56/48/1425815648.db2.gz NNMZKIUTRCAFHU-GXTWGEPZSA-N -1 3 385.516 3.069 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000822015713 1425815655 /nfs/dbraw/zinc/81/56/55/1425815655.db2.gz NNMZKIUTRCAFHU-GXTWGEPZSA-N -1 3 385.516 3.069 20 0 GGADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1)C(C)C ZINC000171772891 1425816432 /nfs/dbraw/zinc/81/64/32/1425816432.db2.gz DDISRBDSQVTKPO-UHFFFAOYSA-N -1 3 389.477 3.167 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(ccn3CCN3CCOCC3)c2)c1 ZINC000171773720 1425816672 /nfs/dbraw/zinc/81/66/72/1425816672.db2.gz WHHDLGUKHDDINK-UHFFFAOYSA-N -1 3 399.516 3.083 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)ccc1N1CCCC1 ZINC000171773158 1425816787 /nfs/dbraw/zinc/81/67/87/1425816787.db2.gz OWZUERYRWLTMHY-UHFFFAOYSA-N -1 3 387.505 3.098 20 0 GGADHM C[C@H](c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1)N1CCOCC1 ZINC000171801674 1425824021 /nfs/dbraw/zinc/82/40/21/1425824021.db2.gz KYTWBEOIXUUZRQ-MRXNPFEDSA-N -1 3 397.500 3.429 20 0 GGADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000171820196 1425828488 /nfs/dbraw/zinc/82/84/88/1425828488.db2.gz WSRJRPAZHZYPIP-UHFFFAOYSA-N -1 3 381.476 3.296 20 0 GGADHM Cc1ccc(CN2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)s1 ZINC000826288165 1425829963 /nfs/dbraw/zinc/82/99/63/1425829963.db2.gz UGTQQPDXNICOIR-UHFFFAOYSA-N -1 3 391.504 3.107 20 0 GGADHM Cc1ccc(CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)s1 ZINC000826288165 1425829968 /nfs/dbraw/zinc/82/99/68/1425829968.db2.gz UGTQQPDXNICOIR-UHFFFAOYSA-N -1 3 391.504 3.107 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1n[n-]c2ccccc2c1=O ZINC000171860992 1425837302 /nfs/dbraw/zinc/83/73/02/1425837302.db2.gz IVSGXWNFKSHNTL-HXUWFJFHSA-N -1 3 395.422 3.319 20 0 GGADHM CC[C@H](Sc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000171863209 1425837505 /nfs/dbraw/zinc/83/75/05/1425837505.db2.gz JRFLURHLZANSCZ-IBGZPJMESA-N -1 3 384.501 3.248 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000172122601 1425905499 /nfs/dbraw/zinc/90/54/99/1425905499.db2.gz VIFKJFGSFPGGGH-UHFFFAOYSA-N -1 3 378.388 3.090 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821505407 1425917061 /nfs/dbraw/zinc/91/70/61/1425917061.db2.gz PVMRBXWSCNILBX-ZDUSSCGKSA-N -1 3 399.524 3.216 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821505407 1425917064 /nfs/dbraw/zinc/91/70/64/1425917064.db2.gz PVMRBXWSCNILBX-ZDUSSCGKSA-N -1 3 399.524 3.216 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)N2CCCC2)cc1 ZINC000826284249 1425972250 /nfs/dbraw/zinc/97/22/50/1425972250.db2.gz NXGCGMNHDQWOJJ-FQEVSTJZSA-N -1 3 390.491 3.050 20 0 GGADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1nnc2ccccc2c1[O-] ZINC000172375377 1426019164 /nfs/dbraw/zinc/01/91/64/1426019164.db2.gz NKYVTYULMMJYGP-UHFFFAOYSA-N -1 3 385.427 3.375 20 0 GGADHM C[C@@H]1SCCN(CCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000736301646 1426033202 /nfs/dbraw/zinc/03/32/02/1426033202.db2.gz PNLYORUVOHAGLJ-KXBFYZLASA-N -1 3 381.505 3.424 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000737244735 1426036863 /nfs/dbraw/zinc/03/68/63/1426036863.db2.gz KSPNGVIKGSGWTK-SFHVURJKSA-N -1 3 398.898 3.482 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000737244735 1426036871 /nfs/dbraw/zinc/03/68/71/1426036871.db2.gz KSPNGVIKGSGWTK-SFHVURJKSA-N -1 3 398.898 3.482 20 0 GGADHM C[C@H]1CSCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000172453532 1426046927 /nfs/dbraw/zinc/04/69/27/1426046927.db2.gz XZBJSFIKYMKQHX-ZDUSSCGKSA-N -1 3 394.493 3.204 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000172465931 1426051553 /nfs/dbraw/zinc/05/15/53/1426051553.db2.gz VOYYVQNPINIZAM-JTQLQIEISA-N -1 3 380.691 3.498 20 0 GGADHM C[C@@H](C(=O)OC(C)(C)C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172527540 1426071767 /nfs/dbraw/zinc/07/17/67/1426071767.db2.gz MSFOQFMWXLXCHA-LBPRGKRZSA-N -1 3 382.888 3.426 20 0 GGADHM CC[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212898 1426098516 /nfs/dbraw/zinc/09/85/16/1426098516.db2.gz URFJUEPPZNSHJI-DOMZBBRYSA-N -1 3 392.529 3.053 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000172599502 1426108099 /nfs/dbraw/zinc/10/80/99/1426108099.db2.gz BGKRKNFUCSPAML-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172657182 1426130508 /nfs/dbraw/zinc/13/05/08/1426130508.db2.gz UVQIYMVZAXRORY-UHFFFAOYSA-N -1 3 388.729 3.041 20 0 GGADHM O=C1[C@H](N2CCC[C@H]2c2cccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476975 1426136406 /nfs/dbraw/zinc/13/64/06/1426136406.db2.gz SRDMZCQKBNNBJN-DLBZAZTESA-N -1 3 394.504 3.261 20 0 GGADHM O=C(Nc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cn1)c1ccccc1 ZINC000172881347 1426237178 /nfs/dbraw/zinc/23/71/78/1426237178.db2.gz JBWQPXGBJURGNO-QGOAFFKASA-N -1 3 384.395 3.057 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)ccc1C(=O)NC(C)C ZINC000172893703 1426243104 /nfs/dbraw/zinc/24/31/04/1426243104.db2.gz QUQBONSWTKUIMK-UHFFFAOYSA-N -1 3 394.468 3.093 20 0 GGADHM CCOc1cccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000825649324 1426248118 /nfs/dbraw/zinc/24/81/18/1426248118.db2.gz OTBYZYOIOKAODF-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM CCOc1cccc(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825649324 1426248120 /nfs/dbraw/zinc/24/81/20/1426248120.db2.gz OTBYZYOIOKAODF-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529868 1426292059 /nfs/dbraw/zinc/29/20/59/1426292059.db2.gz IHKSOXJTFUGERI-STQMWFEESA-N -1 3 396.426 3.374 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529868 1426292063 /nfs/dbraw/zinc/29/20/63/1426292063.db2.gz IHKSOXJTFUGERI-STQMWFEESA-N -1 3 396.426 3.374 20 0 GGADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000172984975 1426294312 /nfs/dbraw/zinc/29/43/12/1426294312.db2.gz VZYLBWWBOJYTRS-UHFFFAOYSA-N -1 3 383.395 3.131 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)cc1NC(C)C ZINC000172999184 1426302016 /nfs/dbraw/zinc/30/20/16/1426302016.db2.gz WTQIUVPYCJRERV-UHFFFAOYSA-N -1 3 395.438 3.281 20 0 GGADHM O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000173043304 1426320746 /nfs/dbraw/zinc/32/07/46/1426320746.db2.gz YQTKZFRSWSOBPH-UHFFFAOYSA-N -1 3 379.334 3.250 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)N2CCCC2)o1 ZINC000173094439 1426339640 /nfs/dbraw/zinc/33/96/40/1426339640.db2.gz KJIGZKDUPSUURT-HNNXBMFYSA-N -1 3 388.411 3.121 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1OC ZINC000173165328 1426372918 /nfs/dbraw/zinc/37/29/18/1426372918.db2.gz ZSSBAOHCLCLQEX-LBPRGKRZSA-N -1 3 380.441 3.338 20 0 GGADHM c1cc(-c2nnn[n-]2)ccc1OCCN1CCC(OCC2CCCCC2)CC1 ZINC000823743151 1426442748 /nfs/dbraw/zinc/44/27/48/1426442748.db2.gz VEYVJBAMQDJWHI-UHFFFAOYSA-N -1 3 385.512 3.307 20 0 GGADHM Cc1cc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c2ccccc2n1 ZINC000737261984 1426457911 /nfs/dbraw/zinc/45/79/11/1426457911.db2.gz JIDYLSQAYQZCIR-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1cc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c2ccccc2n1 ZINC000737261984 1426457912 /nfs/dbraw/zinc/45/79/12/1426457912.db2.gz JIDYLSQAYQZCIR-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM CN(C)C(=O)C[C@@H](N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000825841244 1426489195 /nfs/dbraw/zinc/48/91/95/1426489195.db2.gz ULRHHCBKRZOFDN-VQTJNVASSA-N -1 3 390.491 3.053 20 0 GGADHM CN(C)C(=O)C[C@@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841244 1426489196 /nfs/dbraw/zinc/48/91/96/1426489196.db2.gz ULRHHCBKRZOFDN-VQTJNVASSA-N -1 3 390.491 3.053 20 0 GGADHM C[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)cs2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824948696 1426489288 /nfs/dbraw/zinc/48/92/88/1426489288.db2.gz VAJADYTYGZTUKS-DOMZBBRYSA-N -1 3 392.529 3.053 20 0 GGADHM C[C@@H]1CCCN(Cc2cc(-c3nnn[n-]3)cs2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824948696 1426489290 /nfs/dbraw/zinc/48/92/90/1426489290.db2.gz VAJADYTYGZTUKS-DOMZBBRYSA-N -1 3 392.529 3.053 20 0 GGADHM Cc1ccc(CN(C(=O)CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826287516 1426514821 /nfs/dbraw/zinc/51/48/21/1426514821.db2.gz RVQNAFXGIXYUKL-MRXNPFEDSA-N -1 3 390.491 3.017 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)o1 ZINC000173351058 1426529074 /nfs/dbraw/zinc/52/90/74/1426529074.db2.gz OATBBKOZMXWSRN-GFCCVEGCSA-N -1 3 393.383 3.407 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737269682 1426544679 /nfs/dbraw/zinc/54/46/79/1426544679.db2.gz GPJWBACKLULVBC-KSSFIOAISA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737269682 1426544682 /nfs/dbraw/zinc/54/46/82/1426544682.db2.gz GPJWBACKLULVBC-KSSFIOAISA-N -1 3 394.454 3.160 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824528451 1426548983 /nfs/dbraw/zinc/54/89/83/1426548983.db2.gz AASDAMJAVFTZGL-JKIFEVAISA-N -1 3 396.520 3.331 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824528451 1426548987 /nfs/dbraw/zinc/54/89/87/1426548987.db2.gz AASDAMJAVFTZGL-JKIFEVAISA-N -1 3 396.520 3.331 20 0 GGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1nnc2ccccc2c1[O-] ZINC000173383937 1426558768 /nfs/dbraw/zinc/55/87/68/1426558768.db2.gz OKQKNFPJFVVNMW-UHFFFAOYSA-N -1 3 379.807 3.074 20 0 GGADHM C[C@@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824563432 1426589288 /nfs/dbraw/zinc/58/92/88/1426589288.db2.gz OFBZMYGUZGMQRT-OAHLLOKOSA-N -1 3 392.507 3.131 20 0 GGADHM C[C@@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824563432 1426589295 /nfs/dbraw/zinc/58/92/95/1426589295.db2.gz OFBZMYGUZGMQRT-OAHLLOKOSA-N -1 3 392.507 3.131 20 0 GGADHM CCC(CC)(CC)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820881551 1426594341 /nfs/dbraw/zinc/59/43/41/1426594341.db2.gz AQUMLGDOUVKWNZ-UHFFFAOYSA-N -1 3 384.528 3.117 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2C)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826305695 1426600191 /nfs/dbraw/zinc/60/01/91/1426600191.db2.gz GEYAJUGECBWYLK-SFHVURJKSA-N -1 3 380.452 3.064 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccccc2C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826305695 1426600195 /nfs/dbraw/zinc/60/01/95/1426600195.db2.gz GEYAJUGECBWYLK-SFHVURJKSA-N -1 3 380.452 3.064 20 0 GGADHM CCCn1ccc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc21 ZINC000173470324 1426644893 /nfs/dbraw/zinc/64/48/93/1426644893.db2.gz LSZHNKTUEBOXNZ-UHFFFAOYSA-N -1 3 380.448 3.308 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)N(CC)CC ZINC000736315461 1426648779 /nfs/dbraw/zinc/64/87/79/1426648779.db2.gz YTLILOWQEBPKHK-KRWDZBQOSA-N -1 3 395.467 3.113 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)N(CC)CC ZINC000736315461 1426648784 /nfs/dbraw/zinc/64/87/84/1426648784.db2.gz YTLILOWQEBPKHK-KRWDZBQOSA-N -1 3 395.467 3.113 20 0 GGADHM Cc1cc(C)cc([C@H](C)N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822196784 1426651962 /nfs/dbraw/zinc/65/19/62/1426651962.db2.gz XBRGVRFKEHWJBD-BBRMVZONSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cc(C)cc([C@H](C)N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822196784 1426651965 /nfs/dbraw/zinc/65/19/65/1426651965.db2.gz XBRGVRFKEHWJBD-BBRMVZONSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000173478038 1426652666 /nfs/dbraw/zinc/65/26/66/1426652666.db2.gz YQISCIPBLOFUJT-HRAATJIYSA-N -1 3 377.444 3.129 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)on1 ZINC000173492749 1426664943 /nfs/dbraw/zinc/66/49/43/1426664943.db2.gz JQRJFHPKXYRFAZ-UHFFFAOYSA-N -1 3 383.445 3.154 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000822238640 1426665642 /nfs/dbraw/zinc/66/56/42/1426665642.db2.gz PDOHDUNEBHMSML-DLBZAZTESA-N -1 3 393.491 3.441 20 0 GGADHM CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736132465 1426722646 /nfs/dbraw/zinc/72/26/46/1426722646.db2.gz OJMDWKBTXOOSRA-SCLBCKFNSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736132465 1426722656 /nfs/dbraw/zinc/72/26/56/1426722656.db2.gz OJMDWKBTXOOSRA-SCLBCKFNSA-N -1 3 382.443 3.320 20 0 GGADHM COc1ccc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC)cc1OC ZINC000826169329 1426774973 /nfs/dbraw/zinc/77/49/73/1426774973.db2.gz PEBJAFSUTSTTDT-KRWDZBQOSA-N -1 3 395.463 3.230 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000821104795 1426781308 /nfs/dbraw/zinc/78/13/08/1426781308.db2.gz RBYMZQTUVZXNSE-UHFFFAOYSA-N -1 3 383.427 3.205 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000821104795 1426781312 /nfs/dbraw/zinc/78/13/12/1426781312.db2.gz RBYMZQTUVZXNSE-UHFFFAOYSA-N -1 3 383.427 3.205 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820411801 1426792937 /nfs/dbraw/zinc/79/29/37/1426792937.db2.gz JPWXIYIUVRUHKJ-XHSDSOJGSA-N -1 3 390.491 3.274 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820411801 1426792940 /nfs/dbraw/zinc/79/29/40/1426792940.db2.gz JPWXIYIUVRUHKJ-XHSDSOJGSA-N -1 3 390.491 3.274 20 0 GGADHM C[C@@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000824539383 1426796348 /nfs/dbraw/zinc/79/63/48/1426796348.db2.gz NHYHMMKAXPNXQD-CQSZACIVSA-N -1 3 390.447 3.163 20 0 GGADHM C[C@@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000824539383 1426796352 /nfs/dbraw/zinc/79/63/52/1426796352.db2.gz NHYHMMKAXPNXQD-CQSZACIVSA-N -1 3 390.447 3.163 20 0 GGADHM CCC[C@@H]1[C@H](C)CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000173708831 1426828100 /nfs/dbraw/zinc/82/81/00/1426828100.db2.gz GUOHVELVSWSIOU-DGCLKSJQSA-N -1 3 377.510 3.480 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCCC3)C2)ccc1F ZINC000173736716 1426835183 /nfs/dbraw/zinc/83/51/83/1426835183.db2.gz SWMGJUZHBBCLSE-UHFFFAOYSA-N -1 3 382.501 3.309 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824528487 1426883093 /nfs/dbraw/zinc/88/30/93/1426883093.db2.gz AIYZZCKRSFTPFU-HOTGVXAUSA-N -1 3 392.507 3.440 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824528487 1426883098 /nfs/dbraw/zinc/88/30/98/1426883098.db2.gz AIYZZCKRSFTPFU-HOTGVXAUSA-N -1 3 392.507 3.440 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCS[C@H](CC)C3)nc(=O)c2c1C ZINC000173926799 1426895324 /nfs/dbraw/zinc/89/53/24/1426895324.db2.gz PKNIKPNYCHRVDP-NWDGAFQWSA-N -1 3 395.550 3.358 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c(=O)[n-]1 ZINC000173977780 1426921733 /nfs/dbraw/zinc/92/17/33/1426921733.db2.gz KTAWVASCCLCGAY-UHFFFAOYSA-N -1 3 396.422 3.071 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)[C@@H]1c1ccccc1 ZINC000173995125 1426932614 /nfs/dbraw/zinc/93/26/14/1426932614.db2.gz FSSMDVFNLCOUTE-DJJJIMSYSA-N -1 3 388.464 3.100 20 0 GGADHM CCC[C@@]1(C)CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000174003114 1426937146 /nfs/dbraw/zinc/93/71/46/1426937146.db2.gz SHUKLICIHVYGOP-IBGZPJMESA-N -1 3 377.510 3.482 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)c1 ZINC000174033448 1426957253 /nfs/dbraw/zinc/95/72/53/1426957253.db2.gz QJNOJMBQMCPVPA-GFCCVEGCSA-N -1 3 391.424 3.065 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)c1 ZINC000174034685 1426958276 /nfs/dbraw/zinc/95/82/76/1426958276.db2.gz YXIPXNZDPNEYJK-GFCCVEGCSA-N -1 3 391.424 3.232 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c(C)c2)CC1 ZINC000736569808 1426964494 /nfs/dbraw/zinc/96/44/94/1426964494.db2.gz UEAAFMYSEVASNM-KRWDZBQOSA-N -1 3 391.523 3.490 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174043199 1426966303 /nfs/dbraw/zinc/96/63/03/1426966303.db2.gz OHUCPBCMAJMGMP-NSHDSACASA-N -1 3 379.388 3.195 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174043211 1426966522 /nfs/dbraw/zinc/96/65/22/1426966522.db2.gz OHUCPBCMAJMGMP-LLVKDONJSA-N -1 3 379.388 3.195 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)Cc1cccc(F)c1 ZINC000174064648 1426982800 /nfs/dbraw/zinc/98/28/00/1426982800.db2.gz RSOWXKNTZIJGEX-MRXNPFEDSA-N -1 3 384.451 3.085 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822237196 1426988306 /nfs/dbraw/zinc/98/83/06/1426988306.db2.gz JHRRSAXOOSIGPP-UHFFFAOYSA-N -1 3 398.511 3.475 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822237196 1426988310 /nfs/dbraw/zinc/98/83/10/1426988310.db2.gz JHRRSAXOOSIGPP-UHFFFAOYSA-N -1 3 398.511 3.475 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000822757617 1427086470 /nfs/dbraw/zinc/08/64/70/1427086470.db2.gz ADAXUVGOMACBPV-UHFFFAOYSA-N -1 3 381.455 3.230 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000822757617 1427086474 /nfs/dbraw/zinc/08/64/74/1427086474.db2.gz ADAXUVGOMACBPV-UHFFFAOYSA-N -1 3 381.455 3.230 20 0 GGADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000174300831 1427091985 /nfs/dbraw/zinc/09/19/85/1427091985.db2.gz GOJAQHUXLQXLKD-UHFFFAOYSA-N -1 3 389.377 3.479 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000822758145 1427122360 /nfs/dbraw/zinc/12/23/60/1427122360.db2.gz KEFIJEGKKGWATK-IBGZPJMESA-N -1 3 381.455 3.230 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000822758145 1427122365 /nfs/dbraw/zinc/12/23/65/1427122365.db2.gz KEFIJEGKKGWATK-IBGZPJMESA-N -1 3 381.455 3.230 20 0 GGADHM COc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc2c1OCCO2 ZINC000826179293 1427128885 /nfs/dbraw/zinc/12/88/85/1427128885.db2.gz IKJNXMQJLNJKDR-UHFFFAOYSA-N -1 3 395.463 3.057 20 0 GGADHM COc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc2c1OCCO2 ZINC000826179293 1427128892 /nfs/dbraw/zinc/12/88/92/1427128892.db2.gz IKJNXMQJLNJKDR-UHFFFAOYSA-N -1 3 395.463 3.057 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSc2ccccc21 ZINC000820402395 1427141525 /nfs/dbraw/zinc/14/15/25/1427141525.db2.gz DERWAIIXRKPNEP-UONOGXRCSA-N -1 3 394.504 3.045 20 0 GGADHM Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2=O)cc1 ZINC000174453305 1427162330 /nfs/dbraw/zinc/16/23/30/1427162330.db2.gz QSRPOAMOARCEPE-NRFANRHFSA-N -1 3 390.487 3.041 20 0 GGADHM Clc1cccc(CN2CCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)c1 ZINC000737573975 1427190598 /nfs/dbraw/zinc/19/05/98/1427190598.db2.gz IUNJEFRVAGELKH-INIZCTEOSA-N -1 3 383.887 3.382 20 0 GGADHM Clc1cccc(CN2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)c1 ZINC000737573975 1427190602 /nfs/dbraw/zinc/19/06/02/1427190602.db2.gz IUNJEFRVAGELKH-INIZCTEOSA-N -1 3 383.887 3.382 20 0 GGADHM c1cc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c2c(c1)OCCCO2 ZINC000826515639 1427210803 /nfs/dbraw/zinc/21/08/03/1427210803.db2.gz FXIIYRBUAMWZQT-SFHVURJKSA-N -1 3 377.448 3.195 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000174587154 1427242404 /nfs/dbraw/zinc/24/24/04/1427242404.db2.gz PVQWGWHXDUQWRS-HTDNGNKUSA-N -1 3 376.456 3.363 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000174587181 1427242657 /nfs/dbraw/zinc/24/26/57/1427242657.db2.gz PVQWGWHXDUQWRS-CKAPTLGHSA-N -1 3 376.456 3.363 20 0 GGADHM Cc1ccccc1-c1noc([C@@H](C)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000174609729 1427259788 /nfs/dbraw/zinc/25/97/88/1427259788.db2.gz DYVREZQJXQFGTG-MRXNPFEDSA-N -1 3 392.459 3.270 20 0 GGADHM CCc1ccc2c(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc(=O)oc2c1 ZINC000174609094 1427259850 /nfs/dbraw/zinc/25/98/50/1427259850.db2.gz OMYUNHVQXFXPMJ-UHFFFAOYSA-N -1 3 392.455 3.019 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000174610126 1427260268 /nfs/dbraw/zinc/26/02/68/1427260268.db2.gz MVRJZZMWTNDBTA-UHFFFAOYSA-N -1 3 381.407 3.144 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC(=O)N(Cc4ccccc4)C3)n[n-]2)o1 ZINC000174611746 1427261038 /nfs/dbraw/zinc/26/10/38/1427261038.db2.gz HGUIREIZTQLTIB-MRXNPFEDSA-N -1 3 379.416 3.184 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC(=O)N(Cc4ccccc4)C3)[n-]n2)o1 ZINC000174611746 1427261041 /nfs/dbraw/zinc/26/10/41/1427261041.db2.gz HGUIREIZTQLTIB-MRXNPFEDSA-N -1 3 379.416 3.184 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccsc1 ZINC000174626049 1427272188 /nfs/dbraw/zinc/27/21/88/1427272188.db2.gz RHRAYWQFDLSYSM-LJQANCHMSA-N -1 3 398.532 3.348 20 0 GGADHM COc1cccc(-c2noc([C@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)n2)c1 ZINC000174644354 1427283873 /nfs/dbraw/zinc/28/38/73/1427283873.db2.gz UTXLNKCSKJUYAR-LBPRGKRZSA-N -1 3 390.399 3.078 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCC2CC2)c(Cl)cc1Cl ZINC000174659634 1427293162 /nfs/dbraw/zinc/29/31/62/1427293162.db2.gz LHLXRYHAEFFJDA-UHFFFAOYSA-N -1 3 393.336 3.458 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000174745116 1427344985 /nfs/dbraw/zinc/34/49/85/1427344985.db2.gz KGUXPVOEMJQONV-NSHDSACASA-N -1 3 378.363 3.208 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825668721 1427355996 /nfs/dbraw/zinc/35/59/96/1427355996.db2.gz JBOFZVZVTLOJJG-KBPBESRZSA-N -1 3 385.493 3.072 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825668721 1427356003 /nfs/dbraw/zinc/35/60/03/1427356003.db2.gz JBOFZVZVTLOJJG-KBPBESRZSA-N -1 3 385.493 3.072 20 0 GGADHM CCc1nc2ccccc2n1C1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000825750347 1427419085 /nfs/dbraw/zinc/41/90/85/1427419085.db2.gz QOMOCZXSIVDWHQ-UHFFFAOYSA-N -1 3 388.479 3.011 20 0 GGADHM CCc1nc2ccccc2n1C1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000825750347 1427419087 /nfs/dbraw/zinc/41/90/87/1427419087.db2.gz QOMOCZXSIVDWHQ-UHFFFAOYSA-N -1 3 388.479 3.011 20 0 GGADHM CC(C)COc1ccc([C@H](C)NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824270371 1427424004 /nfs/dbraw/zinc/42/40/04/1427424004.db2.gz DGGTYIFLKKUVTJ-HNNXBMFYSA-N -1 3 394.479 3.191 20 0 GGADHM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174890958 1427429724 /nfs/dbraw/zinc/42/97/24/1427429724.db2.gz VRCVEIYODYUDSM-UHFFFAOYSA-N -1 3 392.452 3.267 20 0 GGADHM CN(Cc1cccc(Br)c1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736822767 1427432989 /nfs/dbraw/zinc/43/29/89/1427432989.db2.gz UABZORDWSZBPRU-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM Clc1nsc(Nc2cccc(CN3CCSCC3)c2)c1-c1nn[n-]n1 ZINC000826354495 1427470667 /nfs/dbraw/zinc/47/06/67/1427470667.db2.gz HHJXQWRUUSZXJU-UHFFFAOYSA-N -1 3 393.929 3.269 20 0 GGADHM Clc1nsc(Nc2cccc(CN3CCSCC3)c2)c1-c1nnn[n-]1 ZINC000826354495 1427470672 /nfs/dbraw/zinc/47/06/72/1427470672.db2.gz HHJXQWRUUSZXJU-UHFFFAOYSA-N -1 3 393.929 3.269 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000175051215 1427519813 /nfs/dbraw/zinc/51/98/13/1427519813.db2.gz FWAKUEPRMKKSRQ-CYBMUJFWSA-N -1 3 375.856 3.283 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000175051230 1427520709 /nfs/dbraw/zinc/52/07/09/1427520709.db2.gz FWAKUEPRMKKSRQ-ZDUSSCGKSA-N -1 3 375.856 3.283 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000175093501 1427542584 /nfs/dbraw/zinc/54/25/84/1427542584.db2.gz OPEDBJKIYGSUFM-UHFFFAOYSA-N -1 3 379.441 3.284 20 0 GGADHM Clc1ccccc1OC1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826353314 1427542648 /nfs/dbraw/zinc/54/26/48/1427542648.db2.gz KDNXKBLMGJQARV-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM Clc1ccccc1OC1CCN(CCOc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826353314 1427542651 /nfs/dbraw/zinc/54/26/51/1427542651.db2.gz KDNXKBLMGJQARV-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM O=C(C[C@@H]1CCCN1CCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826404850 1427568804 /nfs/dbraw/zinc/56/88/04/1427568804.db2.gz NNJAZRBUWUFSKT-SFHVURJKSA-N -1 3 395.438 3.122 20 0 GGADHM O=C(C[C@@H]1CCCN1CCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826404850 1427568805 /nfs/dbraw/zinc/56/88/05/1427568805.db2.gz NNJAZRBUWUFSKT-SFHVURJKSA-N -1 3 395.438 3.122 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000175190235 1427590709 /nfs/dbraw/zinc/59/07/09/1427590709.db2.gz FTCVMGAIUWYADS-HNNXBMFYSA-N -1 3 391.830 3.180 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000175194255 1427592372 /nfs/dbraw/zinc/59/23/72/1427592372.db2.gz UGTZBMJVXXQXAG-UHFFFAOYSA-N -1 3 382.460 3.168 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000175194230 1427592793 /nfs/dbraw/zinc/59/27/93/1427592793.db2.gz JAAQMHOHJCWZEP-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cccnc2)c(Cl)cc1Cl ZINC000175194456 1427592873 /nfs/dbraw/zinc/59/28/73/1427592873.db2.gz FIJDLIZBTCSDDC-SECBINFHSA-N -1 3 389.260 3.215 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OC3CCCC3)c2)c(C)o1 ZINC000175199104 1427594386 /nfs/dbraw/zinc/59/43/86/1427594386.db2.gz GVFGJZMDIHPWFL-UHFFFAOYSA-N -1 3 378.450 3.070 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824906718 1427611427 /nfs/dbraw/zinc/61/14/27/1427611427.db2.gz DGWLSCYQJZIDHC-HZPDHXFCSA-N -1 3 390.491 3.023 20 0 GGADHM c1cc(N2CCCC2)ncc1CN[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826516761 1427619960 /nfs/dbraw/zinc/61/99/60/1427619960.db2.gz AAPMJVRXISLDSX-IBGZPJMESA-N -1 3 375.480 3.029 20 0 GGADHM CC(C)CC1(C(=O)N2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000820063505 1427640936 /nfs/dbraw/zinc/64/09/36/1427640936.db2.gz VBEWVUDDPGUORF-UHFFFAOYSA-N -1 3 396.539 3.117 20 0 GGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCSC2(CCCCC2)C1 ZINC000175281729 1427645820 /nfs/dbraw/zinc/64/58/20/1427645820.db2.gz DZHAOEPCVFBCFM-KRWDZBQOSA-N -1 3 388.533 3.275 20 0 GGADHM COc1ccc([C@@H]2CCCN2CCOc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000737077490 1427650420 /nfs/dbraw/zinc/65/04/20/1427650420.db2.gz UXVDNAPRNKRBFP-IBGZPJMESA-N -1 3 395.463 3.100 20 0 GGADHM COc1ccc([C@@H]2CCCN2CCOc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737077490 1427650428 /nfs/dbraw/zinc/65/04/28/1427650428.db2.gz UXVDNAPRNKRBFP-IBGZPJMESA-N -1 3 395.463 3.100 20 0 GGADHM C[C@H](NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000824599986 1427661328 /nfs/dbraw/zinc/66/13/28/1427661328.db2.gz VHJBDBFJQKRFRH-NSHDSACASA-N -1 3 393.369 3.337 20 0 GGADHM C[C@H](NCCOc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000824599986 1427661333 /nfs/dbraw/zinc/66/13/33/1427661333.db2.gz VHJBDBFJQKRFRH-NSHDSACASA-N -1 3 393.369 3.337 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1)c1ccc(C)o1 ZINC000175348714 1427697344 /nfs/dbraw/zinc/69/73/44/1427697344.db2.gz LYSXCEZWRJBICF-KRWDZBQOSA-N -1 3 376.434 3.217 20 0 GGADHM O=C1[C@@H](N[C@@H]2CCCc3sccc32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476295 1427708996 /nfs/dbraw/zinc/70/89/96/1427708996.db2.gz DYNRHFKVKNMKNA-SJORKVTESA-N -1 3 394.504 3.091 20 0 GGADHM O=C1[C@@H](N[C@@H]2CCCc3sccc32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476295 1427709002 /nfs/dbraw/zinc/70/90/02/1427709002.db2.gz DYNRHFKVKNMKNA-SJORKVTESA-N -1 3 394.504 3.091 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N(CC1CC1)c1ccccc1 ZINC000175378367 1427718879 /nfs/dbraw/zinc/71/88/79/1427718879.db2.gz VUILNCRFFVHTRK-UHFFFAOYSA-N -1 3 388.464 3.323 20 0 GGADHM C[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1C(F)(F)F ZINC000175486943 1427781967 /nfs/dbraw/zinc/78/19/67/1427781967.db2.gz BNYFZOPJODWQGE-CYBMUJFWSA-N -1 3 394.393 3.451 20 0 GGADHM C[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1C(F)(F)F ZINC000175486924 1427782053 /nfs/dbraw/zinc/78/20/53/1427782053.db2.gz BNYFZOPJODWQGE-ZDUSSCGKSA-N -1 3 394.393 3.451 20 0 GGADHM O=C(NC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000175551909 1427812742 /nfs/dbraw/zinc/81/27/42/1427812742.db2.gz FUYCQHAIOHNCBR-QGZVFWFLSA-N -1 3 385.439 3.025 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824529141 1427814810 /nfs/dbraw/zinc/81/48/10/1427814810.db2.gz FDLHEZMBQNKBDO-JKIFEVAISA-N -1 3 396.520 3.331 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824529141 1427814811 /nfs/dbraw/zinc/81/48/11/1427814811.db2.gz FDLHEZMBQNKBDO-JKIFEVAISA-N -1 3 396.520 3.331 20 0 GGADHM C[C@H](NCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1cn[nH]c1 ZINC000824618958 1427852660 /nfs/dbraw/zinc/85/26/60/1427852660.db2.gz SPWIDYXWSITGIY-AWEZNQCLSA-N -1 3 375.436 3.020 20 0 GGADHM Cc1sc(CCNC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1-c1ccccc1 ZINC000175758831 1427881511 /nfs/dbraw/zinc/88/15/11/1427881511.db2.gz UAIJPCXCRSMEEN-UHFFFAOYSA-N -1 3 396.516 3.110 20 0 GGADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000175772587 1427887830 /nfs/dbraw/zinc/88/78/30/1427887830.db2.gz OUDMODFYTJZGKH-UHFFFAOYSA-N -1 3 394.371 3.337 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c2ccccc12 ZINC000175772987 1427887928 /nfs/dbraw/zinc/88/79/28/1427887928.db2.gz AVUCQXUXLOQLJU-UHFFFAOYSA-N -1 3 388.420 3.277 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCCCCC3)ccc1F ZINC000175776930 1427889170 /nfs/dbraw/zinc/88/91/70/1427889170.db2.gz HLBURSUSXRSELN-UHFFFAOYSA-N -1 3 397.497 3.102 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)c(F)cc1F ZINC000175786788 1427892525 /nfs/dbraw/zinc/89/25/25/1427892525.db2.gz QZRCLELBEMSCOB-UHFFFAOYSA-N -1 3 381.448 3.137 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(F)cc1F ZINC000175786213 1427892544 /nfs/dbraw/zinc/89/25/44/1427892544.db2.gz XOUVBBNCRGPKSF-NSHDSACASA-N -1 3 380.416 3.197 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)c(F)cc1F ZINC000175789171 1427893049 /nfs/dbraw/zinc/89/30/49/1427893049.db2.gz JYVBKVGTFFPZJZ-UHFFFAOYSA-N -1 3 381.379 3.077 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCOC3=O)c2)c(F)cc1F ZINC000175789608 1427893424 /nfs/dbraw/zinc/89/34/24/1427893424.db2.gz KSGBXSYZQJPQLH-LBPRGKRZSA-N -1 3 396.415 3.269 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000175804681 1427899313 /nfs/dbraw/zinc/89/93/13/1427899313.db2.gz UUJWPNIBZOEJEG-INIZCTEOSA-N -1 3 397.450 3.357 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)c(F)cc1F ZINC000175809448 1427903468 /nfs/dbraw/zinc/90/34/68/1427903468.db2.gz DJBNQGYDNSRWTM-LBPRGKRZSA-N -1 3 393.415 3.287 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c(C)o1 ZINC000175822407 1427910994 /nfs/dbraw/zinc/91/09/94/1427910994.db2.gz UJZNKHUUUIWHDS-SFHVURJKSA-N -1 3 376.478 3.157 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1F ZINC000175820689 1427911042 /nfs/dbraw/zinc/91/10/42/1427911042.db2.gz LAIFLPULPGGXRH-UHFFFAOYSA-N -1 3 389.408 3.005 20 0 GGADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@@H](C)c1cc2ccccc2o1 ZINC000175862126 1427939345 /nfs/dbraw/zinc/93/93/45/1427939345.db2.gz OPQLHTKVCDZAMM-LBPRGKRZSA-N -1 3 390.461 3.466 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(C)o1 ZINC000175863443 1427939908 /nfs/dbraw/zinc/93/99/08/1427939908.db2.gz ORKPSPKWROEDGF-UHFFFAOYSA-N -1 3 391.474 3.180 20 0 GGADHM CCCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821042485 1427944726 /nfs/dbraw/zinc/94/47/26/1427944726.db2.gz CKMDGJDWWDVEIW-HNNXBMFYSA-N -1 3 392.479 3.179 20 0 GGADHM CCCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821042485 1427944731 /nfs/dbraw/zinc/94/47/31/1427944731.db2.gz CKMDGJDWWDVEIW-HNNXBMFYSA-N -1 3 392.479 3.179 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1noc(Cc2ccccc2)n1 ZINC000175878153 1427947951 /nfs/dbraw/zinc/94/79/51/1427947951.db2.gz TXKYQNZBLZZJRE-AWEZNQCLSA-N -1 3 394.456 3.248 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CCc2ccccc2)c2ccccc2)c(C)o1 ZINC000175884965 1427951350 /nfs/dbraw/zinc/95/13/50/1427951350.db2.gz PRYXRIVWMIEPTF-UHFFFAOYSA-N -1 3 398.484 3.386 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)ccc1F ZINC000175885327 1427951434 /nfs/dbraw/zinc/95/14/34/1427951434.db2.gz BZEMXYUPQQEAMX-CQSZACIVSA-N -1 3 390.480 3.175 20 0 GGADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000175901935 1427960658 /nfs/dbraw/zinc/96/06/58/1427960658.db2.gz LQRWFPDEZIDPNV-SJLPKXTDSA-N -1 3 390.505 3.295 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)ccc1F ZINC000175903174 1427961366 /nfs/dbraw/zinc/96/13/66/1427961366.db2.gz TWRKYWRUMKKDAB-UHFFFAOYSA-N -1 3 394.472 3.147 20 0 GGADHM CCC[C@H]1CCc2nc(NC(=O)c3cc(S(=O)(=O)[N-]C)oc3C)sc2C1 ZINC000175919486 1427971814 /nfs/dbraw/zinc/97/18/14/1427971814.db2.gz NUCLZMHGEKTQDO-NSHDSACASA-N -1 3 397.522 3.110 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c(C)o1 ZINC000175936898 1427984007 /nfs/dbraw/zinc/98/40/07/1427984007.db2.gz VPLXIWBWBHNXJU-SFHVURJKSA-N -1 3 388.489 3.178 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2c3ccccc3Oc3ccccc32)c(C)o1 ZINC000175939439 1427984723 /nfs/dbraw/zinc/98/47/23/1427984723.db2.gz XJBBBEXVUSMEKT-UHFFFAOYSA-N -1 3 398.440 3.121 20 0 GGADHM CNS(=O)(=O)c1csc(C(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000175949824 1427991337 /nfs/dbraw/zinc/99/13/37/1427991337.db2.gz MESAEIFGLAZRFA-UHFFFAOYSA-N -1 3 378.447 3.223 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824553306 1427997664 /nfs/dbraw/zinc/99/76/64/1427997664.db2.gz BJLJOKPWUVPCQV-MGPUTAFESA-N -1 3 390.491 3.053 20 0 GGADHM CCCn1ccc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C)c3)cc21 ZINC000175958491 1427998370 /nfs/dbraw/zinc/99/83/70/1427998370.db2.gz IAOJXMVOKPEGEY-UHFFFAOYSA-N -1 3 389.452 3.351 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c(C)o1 ZINC000175993889 1428018225 /nfs/dbraw/zinc/01/82/25/1428018225.db2.gz BOKQQBCPRNQQNP-LBPRGKRZSA-N -1 3 396.534 3.488 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)c(C)o1 ZINC000175993904 1428018303 /nfs/dbraw/zinc/01/83/03/1428018303.db2.gz BOKQQBCPRNQQNP-GFCCVEGCSA-N -1 3 396.534 3.488 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000175997704 1428019588 /nfs/dbraw/zinc/01/95/88/1428019588.db2.gz WRQJLQKDAMOOHR-UHFFFAOYSA-N -1 3 391.346 3.444 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(c3ccccc3)CC2)c(C)o1 ZINC000176031388 1428036148 /nfs/dbraw/zinc/03/61/48/1428036148.db2.gz HHCZCQMCHBQFCM-UHFFFAOYSA-N -1 3 390.505 3.200 20 0 GGADHM c1ccc(C[C@@H]2CCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000823781046 1428047738 /nfs/dbraw/zinc/04/77/38/1428047738.db2.gz ZSJZPTIWBYWBPJ-SFHVURJKSA-N -1 3 387.447 3.124 20 0 GGADHM c1ccc(C[C@@H]2CCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823781046 1428047744 /nfs/dbraw/zinc/04/77/44/1428047744.db2.gz ZSJZPTIWBYWBPJ-SFHVURJKSA-N -1 3 387.447 3.124 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000736199166 1428110682 /nfs/dbraw/zinc/11/06/82/1428110682.db2.gz WBNUZOWPSMYZCA-CQSZACIVSA-N -1 3 389.463 3.320 20 0 GGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000736199166 1428110684 /nfs/dbraw/zinc/11/06/84/1428110684.db2.gz WBNUZOWPSMYZCA-CQSZACIVSA-N -1 3 389.463 3.320 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)c(C)o1 ZINC000176155262 1428124607 /nfs/dbraw/zinc/12/46/07/1428124607.db2.gz XGHHUUIFDDUTEP-CQSZACIVSA-N -1 3 390.505 3.500 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1N1CCCC[C@@H](N2CCCC2)C1 ZINC000823826641 1428138585 /nfs/dbraw/zinc/13/85/85/1428138585.db2.gz LZLOQQOOIYTDIP-CQSZACIVSA-N -1 3 391.317 3.084 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c(C)o1 ZINC000176189498 1428152670 /nfs/dbraw/zinc/15/26/70/1428152670.db2.gz SAYQTAJKUUCHMK-UHFFFAOYSA-N -1 3 396.440 3.209 20 0 GGADHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC[C@@H]1c1ccccc1 ZINC000176212331 1428171753 /nfs/dbraw/zinc/17/17/53/1428171753.db2.gz WEFQLSGEAMMNOM-RDJZCZTQSA-N -1 3 390.505 3.152 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c(C)o1 ZINC000176220830 1428175305 /nfs/dbraw/zinc/17/53/05/1428175305.db2.gz QNYYASHQQUESBF-NWDGAFQWSA-N -1 3 398.912 3.414 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c(C)o1 ZINC000176220814 1428175472 /nfs/dbraw/zinc/17/54/72/1428175472.db2.gz QNYYASHQQUESBF-RYUDHWBXSA-N -1 3 398.912 3.414 20 0 GGADHM CCC(CC)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000176253352 1428198283 /nfs/dbraw/zinc/19/82/83/1428198283.db2.gz ZJSCQSAGOGTSAE-GOSISDBHSA-N -1 3 378.494 3.403 20 0 GGADHM O=C(NC1CCN(Cc2ccccc2)CC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176265390 1428206699 /nfs/dbraw/zinc/20/66/99/1428206699.db2.gz WMMUFVFDZIKPJA-UHFFFAOYSA-N -1 3 394.450 3.111 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3(C4CC4)CC3)cs2)c1 ZINC000180185924 1429789448 /nfs/dbraw/zinc/78/94/48/1429789448.db2.gz AYVWDVJVRKEMSX-UHFFFAOYSA-N -1 3 385.489 3.258 20 0 GGADHM O=C1[C@@H](N2CCC3(CCCCC3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738292189 1429789633 /nfs/dbraw/zinc/78/96/33/1429789633.db2.gz YBWGSIQIJYUAIX-SFHVURJKSA-N -1 3 380.496 3.018 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](CC(C)C)C(=O)Nc2nccs2)cc1 ZINC000180357937 1429845408 /nfs/dbraw/zinc/84/54/08/1429845408.db2.gz UWEWYYQJDDAKJZ-CQSZACIVSA-N -1 3 397.447 3.413 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCN(C)C(=O)OC(C)(C)C)nc2)n1 ZINC000180402107 1429858173 /nfs/dbraw/zinc/85/81/73/1429858173.db2.gz BBTWAPUSKKJRBE-UHFFFAOYSA-N -1 3 387.484 3.063 20 0 GGADHM CC[C@H]1C[C@H](C)CN1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000820967906 1429862560 /nfs/dbraw/zinc/86/25/60/1429862560.db2.gz YEVQABFXEBHGLL-BBRMVZONSA-N -1 3 399.543 3.459 20 0 GGADHM CC[C@H]1C[C@H](C)CN1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000820967906 1429862568 /nfs/dbraw/zinc/86/25/68/1429862568.db2.gz YEVQABFXEBHGLL-BBRMVZONSA-N -1 3 399.543 3.459 20 0 GGADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)O1 ZINC000180435849 1429869061 /nfs/dbraw/zinc/86/90/61/1429869061.db2.gz RDXLIZGYOBTELE-NFAWXSAZSA-N -1 3 386.414 3.125 20 0 GGADHM COc1cccc(CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC(C)C)c1 ZINC000826216222 1429869971 /nfs/dbraw/zinc/86/99/71/1429869971.db2.gz PBHVFOHNNOPURL-UHFFFAOYSA-N -1 3 391.479 3.181 20 0 GGADHM COc1cccc(CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC(C)C)c1 ZINC000826216222 1429869977 /nfs/dbraw/zinc/86/99/77/1429869977.db2.gz PBHVFOHNNOPURL-UHFFFAOYSA-N -1 3 391.479 3.181 20 0 GGADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)[N-]OCc1ccccc1 ZINC000180461705 1429874765 /nfs/dbraw/zinc/87/47/65/1429874765.db2.gz PAYIXUIHXNEJQK-UHFFFAOYSA-N -1 3 378.476 3.189 20 0 GGADHM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3cccc(C)c3F)c2=O)cc1 ZINC000180521008 1429888786 /nfs/dbraw/zinc/88/87/86/1429888786.db2.gz LIZDETIANFRLIL-UHFFFAOYSA-N -1 3 386.448 3.453 20 0 GGADHM O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180540832 1429893599 /nfs/dbraw/zinc/89/35/99/1429893599.db2.gz XWYLQUNCYOASRZ-UHFFFAOYSA-N -1 3 379.382 3.200 20 0 GGADHM CCN1C[C@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000825443399 1429933422 /nfs/dbraw/zinc/93/34/22/1429933422.db2.gz BUZBHWWXYIBPTI-CVEARBPZSA-N -1 3 390.491 3.088 20 0 GGADHM CCN1C[C@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000825443399 1429933425 /nfs/dbraw/zinc/93/34/25/1429933425.db2.gz BUZBHWWXYIBPTI-CVEARBPZSA-N -1 3 390.491 3.088 20 0 GGADHM CCN1CCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825459719 1429963787 /nfs/dbraw/zinc/96/37/87/1429963787.db2.gz MGCBZLKYICOPMN-HXUWFJFHSA-N -1 3 390.491 3.024 20 0 GGADHM CCN1CCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825459719 1429963791 /nfs/dbraw/zinc/96/37/91/1429963791.db2.gz MGCBZLKYICOPMN-HXUWFJFHSA-N -1 3 390.491 3.024 20 0 GGADHM CC(C)N1CC[C@H](N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1=O ZINC000824547035 1429966473 /nfs/dbraw/zinc/96/64/73/1429966473.db2.gz MIURDPVUCPZKBF-QRWLVFNGSA-N -1 3 390.491 3.194 20 0 GGADHM CC(C)N1CC[C@H](N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1=O ZINC000824547035 1429966475 /nfs/dbraw/zinc/96/64/75/1429966475.db2.gz MIURDPVUCPZKBF-QRWLVFNGSA-N -1 3 390.491 3.194 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180728705 1430003996 /nfs/dbraw/zinc/00/39/96/1430003996.db2.gz DPGOYVYRUZKHPW-IAGOWNOFSA-N -1 3 389.370 3.193 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000180744168 1430013205 /nfs/dbraw/zinc/01/32/05/1430013205.db2.gz VROZYEXKQQMBSM-DOTOQJQBSA-N -1 3 389.370 3.360 20 0 GGADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c([O-])cccc1O ZINC000180836389 1430063576 /nfs/dbraw/zinc/06/35/76/1430063576.db2.gz RJIBNGZGWOBURG-UHFFFAOYSA-N -1 3 382.338 3.217 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000180851471 1430070078 /nfs/dbraw/zinc/07/00/78/1430070078.db2.gz PYXSSYPOXJSQHE-CYBMUJFWSA-N -1 3 383.379 3.307 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000180856254 1430072371 /nfs/dbraw/zinc/07/23/71/1430072371.db2.gz GMIMOSMFFDMODJ-UHFFFAOYSA-N -1 3 394.471 3.141 20 0 GGADHM Cc1nn2c(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c(C(C)C)nc2s1 ZINC000826334739 1430086086 /nfs/dbraw/zinc/08/60/86/1430086086.db2.gz HUZGWJGYWYXRBW-NSHDSACASA-N -1 3 382.497 3.254 20 0 GGADHM CCOC(=O)[C@@H](CC(C)C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000180884618 1430088822 /nfs/dbraw/zinc/08/88/22/1430088822.db2.gz RETCNDFWWRHUHZ-OAHLLOKOSA-N -1 3 386.477 3.179 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736235135 1430096908 /nfs/dbraw/zinc/09/69/08/1430096908.db2.gz MLOIVSJZFUAVHQ-RVKKMQEKSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736235135 1430096918 /nfs/dbraw/zinc/09/69/18/1430096918.db2.gz MLOIVSJZFUAVHQ-RVKKMQEKSA-N -1 3 376.464 3.072 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)[n-]n1 ZINC000180924140 1430117346 /nfs/dbraw/zinc/11/73/46/1430117346.db2.gz WRDFVLVMJKXEGW-UHFFFAOYSA-N -1 3 387.827 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)n[n-]1 ZINC000180924140 1430117354 /nfs/dbraw/zinc/11/73/54/1430117354.db2.gz WRDFVLVMJKXEGW-UHFFFAOYSA-N -1 3 387.827 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)[n-]n1 ZINC000180924783 1430118617 /nfs/dbraw/zinc/11/86/17/1430118617.db2.gz CZBLPOGURIIWCT-UHFFFAOYSA-N -1 3 388.811 3.466 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)n[n-]1 ZINC000180924783 1430118632 /nfs/dbraw/zinc/11/86/32/1430118632.db2.gz CZBLPOGURIIWCT-UHFFFAOYSA-N -1 3 388.811 3.466 20 0 GGADHM CCc1cccc(NC(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1 ZINC000180973934 1430145636 /nfs/dbraw/zinc/14/56/36/1430145636.db2.gz JERMDPBEYUWUQG-UHFFFAOYSA-N -1 3 390.443 3.139 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000181116010 1430215936 /nfs/dbraw/zinc/21/59/36/1430215936.db2.gz USRDJELRRFPIJZ-CYBMUJFWSA-N -1 3 399.285 3.030 20 0 GGADHM C=CCCC[C@@H](C)NC(=O)N[N-]C(=O)c1cc(OC)ccc1Br ZINC000181120152 1430216914 /nfs/dbraw/zinc/21/69/14/1430216914.db2.gz JKWPZJZJJFSHNB-LLVKDONJSA-N -1 3 384.274 3.147 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)c(C)c1F ZINC000181148676 1430227298 /nfs/dbraw/zinc/22/72/98/1430227298.db2.gz GCLMMLXDYXQTAY-CYBMUJFWSA-N -1 3 394.468 3.169 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccn(C)n2)cc1 ZINC000181175649 1430238103 /nfs/dbraw/zinc/23/81/03/1430238103.db2.gz XEXAZNCRUUHGFJ-UHFFFAOYSA-N -1 3 398.488 3.019 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000824293650 1430239865 /nfs/dbraw/zinc/23/98/65/1430239865.db2.gz VMQRSFZMKRDBQZ-UHFFFAOYSA-N -1 3 377.496 3.273 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000824293650 1430239866 /nfs/dbraw/zinc/23/98/66/1430239866.db2.gz VMQRSFZMKRDBQZ-UHFFFAOYSA-N -1 3 377.496 3.273 20 0 GGADHM CC(Cl)(Cl)C(=O)[N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181182720 1430240567 /nfs/dbraw/zinc/24/05/67/1430240567.db2.gz HFAJOZVURWJODS-LLVKDONJSA-N -1 3 381.206 3.093 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)CCc2ccccc2F)c1-c1nnn[n-]1 ZINC000826331969 1430245068 /nfs/dbraw/zinc/24/50/68/1430245068.db2.gz FTQVGDKKAWLUMF-UHFFFAOYSA-N -1 3 391.454 3.174 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)CCc2ccccc2F)c1-c1nn[n-]n1 ZINC000826331969 1430245070 /nfs/dbraw/zinc/24/50/70/1430245070.db2.gz FTQVGDKKAWLUMF-UHFFFAOYSA-N -1 3 391.454 3.174 20 0 GGADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000181319497 1430272083 /nfs/dbraw/zinc/27/20/83/1430272083.db2.gz BMLWIWQTORXPED-SNVBAGLBSA-N -1 3 391.349 3.342 20 0 GGADHM COc1ccc(-n2nc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)cc2C)cc1 ZINC000181431823 1430297857 /nfs/dbraw/zinc/29/78/57/1430297857.db2.gz RDTLVDYDDQLGJL-UHFFFAOYSA-N -1 3 378.392 3.128 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C([O-])=C(C#N)c3ccccn3)cn2)C1 ZINC000181484953 1430308659 /nfs/dbraw/zinc/30/86/59/1430308659.db2.gz NQFKAXXJHXIAQQ-DLBZAZTESA-N -1 3 395.463 3.340 20 0 GGADHM CCc1ccnc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000181591306 1430324354 /nfs/dbraw/zinc/32/43/54/1430324354.db2.gz XLLZLTWHOVEJLD-UHFFFAOYSA-N -1 3 387.867 3.494 20 0 GGADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc2o1 ZINC000181681212 1430341001 /nfs/dbraw/zinc/34/10/01/1430341001.db2.gz PYNZCNTVBRWYMZ-UHFFFAOYSA-N -1 3 381.356 3.238 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)NN=c1cncc(Cl)[n-]1 ZINC000181711733 1430345660 /nfs/dbraw/zinc/34/56/60/1430345660.db2.gz OGXJZOFVDHSGRK-UHFFFAOYSA-N -1 3 390.658 3.280 20 0 GGADHM Cc1nn(C(C)(C)C)cc1C(=O)[N-]NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000181720101 1430347025 /nfs/dbraw/zinc/34/70/25/1430347025.db2.gz MILCWKZTIIYARM-HNNXBMFYSA-N -1 3 394.475 3.328 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000181751178 1430352190 /nfs/dbraw/zinc/35/21/90/1430352190.db2.gz BOHKLCURYKCWCX-UHFFFAOYSA-N -1 3 399.491 3.295 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)[n-]n1 ZINC000181749786 1430352286 /nfs/dbraw/zinc/35/22/86/1430352286.db2.gz GMFZLGOPQCTSSA-UHFFFAOYSA-N -1 3 381.436 3.456 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)n[n-]1 ZINC000181749786 1430352289 /nfs/dbraw/zinc/35/22/89/1430352289.db2.gz GMFZLGOPQCTSSA-UHFFFAOYSA-N -1 3 381.436 3.456 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(CO)c1 ZINC000181778827 1430358093 /nfs/dbraw/zinc/35/80/93/1430358093.db2.gz NDGRKGYAYCYEPV-NRFANRHFSA-N -1 3 390.439 3.384 20 0 GGADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])nn1-c1cccc(Cl)c1 ZINC000181824866 1430367988 /nfs/dbraw/zinc/36/79/88/1430367988.db2.gz PVAHXPHKMPKGPZ-UHFFFAOYSA-N -1 3 379.807 3.323 20 0 GGADHM CC(C)(C)OC(=O)CCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000181843307 1430371087 /nfs/dbraw/zinc/37/10/87/1430371087.db2.gz CSCJQLXHLTWVER-UHFFFAOYSA-N -1 3 386.477 3.323 20 0 GGADHM CCOCc1nnc([N-]Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)o1 ZINC000181850138 1430371828 /nfs/dbraw/zinc/37/18/28/1430371828.db2.gz PXGMVRBEXYPFOH-UHFFFAOYSA-N -1 3 391.428 3.498 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(C(=O)Nc3ccccc3)cc1)c2[O-] ZINC000181873583 1430375645 /nfs/dbraw/zinc/37/56/45/1430375645.db2.gz HFRVPDSLFVRYNE-UHFFFAOYSA-N -1 3 387.399 3.179 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N(Cc1ccc3c(c1)CCO3)C1CCCC1)c2[O-] ZINC000181927135 1430384534 /nfs/dbraw/zinc/38/45/34/1430384534.db2.gz VBEVRVQTNYNEMA-UHFFFAOYSA-N -1 3 392.459 3.194 20 0 GGADHM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)c2C1 ZINC000182016355 1430396812 /nfs/dbraw/zinc/39/68/12/1430396812.db2.gz SBQMRTLWVNLPLL-UHFFFAOYSA-N -1 3 390.505 3.157 20 0 GGADHM CCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000182053288 1430402516 /nfs/dbraw/zinc/40/25/16/1430402516.db2.gz BCTXYXIRAMXNBO-DLBZAZTESA-N -1 3 386.496 3.264 20 0 GGADHM COc1cccc([C@@H]2[C@H](C(=O)Nc3cccc([O-])c3F)CC(=O)N2C2CC2)c1 ZINC000182079099 1430407688 /nfs/dbraw/zinc/40/76/88/1430407688.db2.gz RZPMVUVPACXYMZ-FOIQADDNSA-N -1 3 384.407 3.231 20 0 GGADHM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1O ZINC000182116330 1430414604 /nfs/dbraw/zinc/41/46/04/1430414604.db2.gz FSWLWOAUJISQSA-UHFFFAOYSA-N -1 3 392.330 3.174 20 0 GGADHM CCc1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)[nH]1 ZINC000182269477 1430440463 /nfs/dbraw/zinc/44/04/63/1430440463.db2.gz VGGLTHSLHGSFSG-UHFFFAOYSA-N -1 3 399.476 3.037 20 0 GGADHM CCc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n[nH]1 ZINC000182269477 1430440464 /nfs/dbraw/zinc/44/04/64/1430440464.db2.gz VGGLTHSLHGSFSG-UHFFFAOYSA-N -1 3 399.476 3.037 20 0 GGADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2F)n1 ZINC000182313644 1430447008 /nfs/dbraw/zinc/44/70/08/1430447008.db2.gz OXMPOMZQEVOVEB-UHFFFAOYSA-N -1 3 389.408 3.158 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1F ZINC000182404861 1430461508 /nfs/dbraw/zinc/46/15/08/1430461508.db2.gz MERYXQFQIKMOTN-UHFFFAOYSA-N -1 3 398.309 3.110 20 0 GGADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c([O-])c1O ZINC000182540793 1430486913 /nfs/dbraw/zinc/48/69/13/1430486913.db2.gz JJSPNBSPFYEFHG-UHFFFAOYSA-N -1 3 385.811 3.165 20 0 GGADHM CCOC(=O)C[C@H](C)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000182642255 1430508189 /nfs/dbraw/zinc/50/81/89/1430508189.db2.gz YZCFLUCBOWUAMF-NSHDSACASA-N -1 3 375.450 3.018 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)o1 ZINC000182701022 1430521150 /nfs/dbraw/zinc/52/11/50/1430521150.db2.gz REZYYIGMBILHAO-HNNXBMFYSA-N -1 3 389.420 3.152 20 0 GGADHM COc1ccc(N[C@H](C)c2ccc(F)cc2N(C)C)cc1[N-]S(C)(=O)=O ZINC000182733190 1430529359 /nfs/dbraw/zinc/52/93/59/1430529359.db2.gz DAXICRQOVOMNAN-GFCCVEGCSA-N -1 3 381.473 3.445 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1c(F)cccc1F ZINC000182761626 1430535355 /nfs/dbraw/zinc/53/53/55/1430535355.db2.gz YWXUZBWKPIKYSV-UHFFFAOYSA-N -1 3 388.143 3.333 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCNC(=O)OC(C)(C)C)nc2)n1 ZINC000182814430 1430545404 /nfs/dbraw/zinc/54/54/04/1430545404.db2.gz ARBNBXCHEWBAGY-UHFFFAOYSA-N -1 3 387.484 3.111 20 0 GGADHM Cc1ccc(NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000182816177 1430545619 /nfs/dbraw/zinc/54/56/19/1430545619.db2.gz HAMYQBIYUUGZJK-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM CC(C)(O)[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182855901 1430554404 /nfs/dbraw/zinc/55/44/04/1430554404.db2.gz QBSXSNFYQPLULD-PMACEKPBSA-N -1 3 396.487 3.015 20 0 GGADHM CC(C)(O)[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182856119 1430554752 /nfs/dbraw/zinc/55/47/52/1430554752.db2.gz QBSXSNFYQPLULD-UXHICEINSA-N -1 3 396.487 3.015 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)c1 ZINC000182867882 1430557231 /nfs/dbraw/zinc/55/72/31/1430557231.db2.gz SFLGODSGZDXSDL-QGZVFWFLSA-N -1 3 392.390 3.290 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2C)n1 ZINC000182870509 1430558081 /nfs/dbraw/zinc/55/80/81/1430558081.db2.gz REGSWAHHHYKZND-OAHLLOKOSA-N -1 3 392.390 3.290 20 0 GGADHM CN(Cc1cccnc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182882375 1430561241 /nfs/dbraw/zinc/56/12/41/1430561241.db2.gz DROKXYLUSDSHDJ-OAQYLSRUSA-N -1 3 389.455 3.307 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2cccs2)c1 ZINC000182896339 1430565074 /nfs/dbraw/zinc/56/50/74/1430565074.db2.gz OXGBLCQKNOKWRW-UHFFFAOYSA-N -1 3 385.445 3.317 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1nc(C)cs1 ZINC000182964034 1430581558 /nfs/dbraw/zinc/58/15/58/1430581558.db2.gz PYQPVPNRGBOVHE-HNNXBMFYSA-N -1 3 387.458 3.411 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000182986024 1430585794 /nfs/dbraw/zinc/58/57/94/1430585794.db2.gz HIYBZIYZOXFVNI-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM CN(Cc1ccncc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183048162 1430600152 /nfs/dbraw/zinc/60/01/52/1430600152.db2.gz NAYDZUFVAIPSRL-OAQYLSRUSA-N -1 3 389.455 3.307 20 0 GGADHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C)c(C)cc2Cl)C1=O ZINC000183082606 1430608561 /nfs/dbraw/zinc/60/85/61/1430608561.db2.gz QXLVVIDPFFPLMC-HXUWFJFHSA-N -1 3 385.851 3.459 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC2CCC2)c2ccccc2)c(C)o1 ZINC000183116946 1430618614 /nfs/dbraw/zinc/61/86/14/1430618614.db2.gz QAOPIYTXHHIDEL-QGZVFWFLSA-N -1 3 376.478 3.157 20 0 GGADHM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)nc1Br ZINC000183153072 1430630907 /nfs/dbraw/zinc/63/09/07/1430630907.db2.gz WFGDTQDLZAOOBV-JTQLQIEISA-N -1 3 385.221 3.229 20 0 GGADHM CCn1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000183231923 1430654381 /nfs/dbraw/zinc/65/43/81/1430654381.db2.gz NLFAJAUOCLDDJY-LJQANCHMSA-N -1 3 378.432 3.109 20 0 GGADHM CN(CC(F)(F)F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183260724 1430662686 /nfs/dbraw/zinc/66/26/86/1430662686.db2.gz SCAJEKXAWUTRIJ-MRXNPFEDSA-N -1 3 380.366 3.274 20 0 GGADHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000183267720 1430665433 /nfs/dbraw/zinc/66/54/33/1430665433.db2.gz IZDXVNNGMRYEET-UHFFFAOYSA-N -1 3 395.423 3.009 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc21 ZINC000183297852 1430672368 /nfs/dbraw/zinc/67/23/68/1430672368.db2.gz MPXDHOQRUFHRMK-OAHLLOKOSA-N -1 3 392.443 3.241 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc21 ZINC000183297833 1430672756 /nfs/dbraw/zinc/67/27/56/1430672756.db2.gz MPXDHOQRUFHRMK-HNNXBMFYSA-N -1 3 392.443 3.241 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2nc(C3CC3)cs2)c1 ZINC000183299909 1430673321 /nfs/dbraw/zinc/67/33/21/1430673321.db2.gz UDZQJTJLCRGANZ-UHFFFAOYSA-N -1 3 398.444 3.205 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000183302322 1430673495 /nfs/dbraw/zinc/67/34/95/1430673495.db2.gz BAVGWGBNBJVJJE-SNVBAGLBSA-N -1 3 392.381 3.395 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(F)cn1 ZINC000183306132 1430674261 /nfs/dbraw/zinc/67/42/61/1430674261.db2.gz HZMFPKCNFGKJRD-SFHVURJKSA-N -1 3 379.391 3.426 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOC1CCCC1 ZINC000183321639 1430678963 /nfs/dbraw/zinc/67/89/63/1430678963.db2.gz IDNVVNXSSJCHQV-NRFANRHFSA-N -1 3 396.487 3.329 20 0 GGADHM CCOC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183355779 1430687513 /nfs/dbraw/zinc/68/75/13/1430687513.db2.gz KSSPXQXZCHJPIF-NRFANRHFSA-N -1 3 396.487 3.281 20 0 GGADHM CN(Cc1cscn1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183412159 1430704758 /nfs/dbraw/zinc/70/47/58/1430704758.db2.gz BVNFEXMMOCHJQP-LJQANCHMSA-N -1 3 395.484 3.369 20 0 GGADHM Cc1ccnc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000183416250 1430706063 /nfs/dbraw/zinc/70/60/63/1430706063.db2.gz UYAPAIJTJQDUMR-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM O=C(COc1cccc(NC(=O)c2cccc3n[n-]nc32)c1)Nc1ccccc1 ZINC000183439955 1430712731 /nfs/dbraw/zinc/71/27/31/1430712731.db2.gz VHTIZBVWOXFXSD-UHFFFAOYSA-N -1 3 387.399 3.228 20 0 GGADHM Cc1cccc(OCC(=O)N[N-]C(=O)c2cccc(Br)c2Cl)c1 ZINC000183517138 1430733052 /nfs/dbraw/zinc/73/30/52/1430733052.db2.gz YTZIPPCMPHLNOG-UHFFFAOYSA-N -1 3 397.656 3.251 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3cccnc3)cs2)c1 ZINC000183530546 1430735867 /nfs/dbraw/zinc/73/58/67/1430735867.db2.gz BYSMZEFFFHCZBM-ZDUSSCGKSA-N -1 3 396.472 3.224 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1nccs1 ZINC000183530583 1430735907 /nfs/dbraw/zinc/73/59/07/1430735907.db2.gz FLKLADREXVJMKW-SFHVURJKSA-N -1 3 395.484 3.069 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc(C)n3)cs2)c1 ZINC000183565396 1430742832 /nfs/dbraw/zinc/74/28/32/1430742832.db2.gz KJXZLLFEWGOVSO-UHFFFAOYSA-N -1 3 382.445 3.294 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(F)cn3)cs2)c1 ZINC000183571591 1430744292 /nfs/dbraw/zinc/74/42/92/1430744292.db2.gz XBCVQKKRFWSGQM-UHFFFAOYSA-N -1 3 386.408 3.125 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)c3nccs3)cs2)c1 ZINC000183594338 1430749778 /nfs/dbraw/zinc/74/97/78/1430749778.db2.gz JIDSSQMIQDJPGF-UHFFFAOYSA-N -1 3 388.474 3.071 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000183599099 1430751157 /nfs/dbraw/zinc/75/11/57/1430751157.db2.gz AJAKUARTSIDSRZ-GFCCVEGCSA-N -1 3 394.830 3.211 20 0 GGADHM COCc1cccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000183624123 1430757004 /nfs/dbraw/zinc/75/70/04/1430757004.db2.gz SYOKWQMZJBAOHQ-UHFFFAOYSA-N -1 3 396.216 3.201 20 0 GGADHM N#Cc1ccc(C(=O)N[N-]C(=O)c2cccc(Br)c2Cl)cc1 ZINC000183647759 1430763565 /nfs/dbraw/zinc/76/35/65/1430763565.db2.gz FNDPATQDVSXUSD-UHFFFAOYSA-N -1 3 378.613 3.049 20 0 GGADHM O=C(CCc1ccc(O)cc1)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000183725946 1430781440 /nfs/dbraw/zinc/78/14/40/1430781440.db2.gz ARTFQPLUNCPINP-UHFFFAOYSA-N -1 3 397.656 3.202 20 0 GGADHM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000183727388 1430781916 /nfs/dbraw/zinc/78/19/16/1430781916.db2.gz MKMFBTMIXUNICW-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3Cc4ccccc4C3)cs2)c1 ZINC000183734297 1430783887 /nfs/dbraw/zinc/78/38/87/1430783887.db2.gz HGBBDWMZQXOJEC-UHFFFAOYSA-N -1 3 393.468 3.494 20 0 GGADHM COCC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183773748 1430790829 /nfs/dbraw/zinc/79/08/29/1430790829.db2.gz DYEDITWKAFXRBB-OAQYLSRUSA-N -1 3 396.487 3.138 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(Cl)c1 ZINC000183790407 1430794662 /nfs/dbraw/zinc/79/46/62/1430794662.db2.gz LTRUCIZQFFVORQ-OAHLLOKOSA-N -1 3 378.252 3.319 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3cc(C)oc3C)nc(=O)c2c1C ZINC000183812324 1430799527 /nfs/dbraw/zinc/79/95/27/1430799527.db2.gz XKANCVVMQBXNOL-SNVBAGLBSA-N -1 3 375.450 3.140 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3cc(C)oc3C)nc(=O)c2c1C ZINC000183812335 1430799821 /nfs/dbraw/zinc/79/98/21/1430799821.db2.gz XKANCVVMQBXNOL-JTQLQIEISA-N -1 3 375.450 3.140 20 0 GGADHM C[C@H]1CSCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183905029 1430811365 /nfs/dbraw/zinc/81/13/65/1430811365.db2.gz QKLVXEQTFQKIIA-HNAYVOBHSA-N -1 3 384.501 3.217 20 0 GGADHM C[C@H](O)CC(C)(C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183993228 1430825362 /nfs/dbraw/zinc/82/53/62/1430825362.db2.gz BSCLPKWKNDNOAS-OXJNMPFZSA-N -1 3 398.503 3.167 20 0 GGADHM O=S(=O)(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cccc([O-])c1 ZINC000183995240 1430825772 /nfs/dbraw/zinc/82/57/72/1430825772.db2.gz KKWYERTUFUODKL-UHFFFAOYSA-N -1 3 384.335 3.435 20 0 GGADHM CO[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)(C)C ZINC000184103006 1430841722 /nfs/dbraw/zinc/84/17/22/1430841722.db2.gz GGECAFIKEZNNIY-UXHICEINSA-N -1 3 398.503 3.431 20 0 GGADHM CO[C@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)(C)C ZINC000184102956 1430841742 /nfs/dbraw/zinc/84/17/42/1430841742.db2.gz GGECAFIKEZNNIY-VQTJNVASSA-N -1 3 398.503 3.431 20 0 GGADHM CO[C@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)(C)C ZINC000184102989 1430841809 /nfs/dbraw/zinc/84/18/09/1430841809.db2.gz GGECAFIKEZNNIY-WOJBJXKFSA-N -1 3 398.503 3.431 20 0 GGADHM CCOC[C@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000184120854 1430843851 /nfs/dbraw/zinc/84/38/51/1430843851.db2.gz AMNAWXUGWRKPPH-UWJYYQICSA-N -1 3 396.487 3.138 20 0 GGADHM CCN(CC(F)F)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000184146989 1430847360 /nfs/dbraw/zinc/84/73/60/1430847360.db2.gz AVWFHEVENDUQQH-UHFFFAOYSA-N -1 3 383.420 3.066 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)cc1F ZINC000184149894 1430847497 /nfs/dbraw/zinc/84/74/97/1430847497.db2.gz LNIUEFKYGDDBIO-UHFFFAOYSA-N -1 3 395.843 3.457 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCS1 ZINC000184176447 1430851172 /nfs/dbraw/zinc/85/11/72/1430851172.db2.gz GNIFIJWYZWEHMX-RTBURBONSA-N -1 3 384.501 3.265 20 0 GGADHM COCCC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000184231097 1430859789 /nfs/dbraw/zinc/85/97/89/1430859789.db2.gz JPJQNRORXIVGQS-HXUWFJFHSA-N -1 3 396.487 3.186 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H](C)c2ccccc2)c1 ZINC000184246769 1430861785 /nfs/dbraw/zinc/86/17/85/1430861785.db2.gz GQVZFLIPTANCCW-LLVKDONJSA-N -1 3 377.238 3.022 20 0 GGADHM CCc1ncc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000184249581 1430862325 /nfs/dbraw/zinc/86/23/25/1430862325.db2.gz SWPIIUMCBZCLFW-IBGZPJMESA-N -1 3 390.443 3.245 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccc(C)c(C)c1 ZINC000184258330 1430863439 /nfs/dbraw/zinc/86/34/39/1430863439.db2.gz SELZZNKAZJVUSB-IBGZPJMESA-N -1 3 384.457 3.044 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1cc(C)cc(C)c1 ZINC000184260532 1430863948 /nfs/dbraw/zinc/86/39/48/1430863948.db2.gz SIRRWODPMRQTAM-HXUWFJFHSA-N -1 3 398.484 3.185 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000184286528 1430868446 /nfs/dbraw/zinc/86/84/46/1430868446.db2.gz IQRMMMNELUCVQZ-CYBMUJFWSA-N -1 3 396.353 3.120 20 0 GGADHM Cc1csc(CCC[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000184308269 1430871546 /nfs/dbraw/zinc/87/15/46/1430871546.db2.gz VXIFFDOMWGHKCT-UHFFFAOYSA-N -1 3 393.303 3.264 20 0 GGADHM CCS(=O)(=O)Cc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](c1ccccc1)CC3 ZINC000184311998 1430872076 /nfs/dbraw/zinc/87/20/76/1430872076.db2.gz ZJPIASYCTPRAMB-ZDUSSCGKSA-N -1 3 388.514 3.192 20 0 GGADHM CC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@@H]1CCCO1 ZINC000184352283 1430876808 /nfs/dbraw/zinc/87/68/08/1430876808.db2.gz DIALJBOZIDNXOP-ACRUOGEOSA-N -1 3 396.487 3.327 20 0 GGADHM C[C@H]1CN(CC2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000184363234 1430878618 /nfs/dbraw/zinc/87/86/18/1430878618.db2.gz BRNGSRZNEHUVKC-STQMWFEESA-N -1 3 384.879 3.146 20 0 GGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1ccc(OC)cc1 ZINC000184484929 1430893333 /nfs/dbraw/zinc/89/33/33/1430893333.db2.gz XYLBGOZXYPTTEL-UHFFFAOYSA-N -1 3 392.419 3.382 20 0 GGADHM COc1ccccc1[C@@H](CN/C=C1/C(=O)[N-]C(=O)c2ccccc21)OC(C)C ZINC000184536439 1430900019 /nfs/dbraw/zinc/90/00/19/1430900019.db2.gz OCSHGKCSNLAWKT-VOMPUTFMSA-N -1 3 380.444 3.062 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184558620 1430904120 /nfs/dbraw/zinc/90/41/20/1430904120.db2.gz JSIARCGPJBHGPT-UHFFFAOYSA-N -1 3 390.720 3.458 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000184632837 1430925046 /nfs/dbraw/zinc/92/50/46/1430925046.db2.gz HUGQBVYBZLCQGP-UHFFFAOYSA-N -1 3 396.878 3.189 20 0 GGADHM CCCCn1cc(C(=O)[N-]NC(=O)CSc2ccc(Cl)cc2)c(C)n1 ZINC000184739559 1430959773 /nfs/dbraw/zinc/95/97/73/1430959773.db2.gz CWSURZAPBFZBTC-UHFFFAOYSA-N -1 3 380.901 3.198 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184740043 1430960535 /nfs/dbraw/zinc/96/05/35/1430960535.db2.gz BITOAYRPKCRVHP-WDEREUQCSA-N -1 3 379.363 3.058 20 0 GGADHM Cc1c(Br)scc1C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000184781086 1430975641 /nfs/dbraw/zinc/97/56/41/1430975641.db2.gz NQPCURDXJDEUNS-UHFFFAOYSA-N -1 3 390.262 3.442 20 0 GGADHM CCOCCO[N-]C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000184848197 1431002344 /nfs/dbraw/zinc/00/23/44/1431002344.db2.gz DABGQHYAVOHHFK-UHFFFAOYSA-N -1 3 383.242 3.121 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000184879425 1431010476 /nfs/dbraw/zinc/01/04/76/1431010476.db2.gz ZCUQONKOGROGFS-ZDUSSCGKSA-N -1 3 383.416 3.489 20 0 GGADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184880100 1431010906 /nfs/dbraw/zinc/01/09/06/1431010906.db2.gz BXJKNKHPSBQIBG-ZDUSSCGKSA-N -1 3 383.416 3.489 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC4CC4)cc3)cc3c2N1CCC3 ZINC000184896556 1431015527 /nfs/dbraw/zinc/01/55/27/1431015527.db2.gz RHCDANZPBTXUIP-UHFFFAOYSA-N -1 3 398.484 3.112 20 0 GGADHM Cn1nc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1OC(F)F ZINC000184919264 1431021222 /nfs/dbraw/zinc/02/12/22/1431021222.db2.gz HPECZHOFOZKCLE-UHFFFAOYSA-N -1 3 397.432 3.418 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000184939849 1431026774 /nfs/dbraw/zinc/02/67/74/1431026774.db2.gz CZRGKWVFJJXTBS-GOSISDBHSA-N -1 3 392.415 3.313 20 0 GGADHM CCCC[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000184947824 1431028224 /nfs/dbraw/zinc/02/82/24/1431028224.db2.gz YWNSAZXWRZJRFG-MAUKXSAKSA-N -1 3 386.414 3.201 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)c1nc(C(C)(C)C)no1 ZINC000184990608 1431037097 /nfs/dbraw/zinc/03/70/97/1431037097.db2.gz HHFZUNLIRWTDMD-GFCCVEGCSA-N -1 3 377.466 3.171 20 0 GGADHM C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)c1nc(C(C)(C)C)no1 ZINC000184990587 1431037291 /nfs/dbraw/zinc/03/72/91/1431037291.db2.gz HHFZUNLIRWTDMD-LBPRGKRZSA-N -1 3 377.466 3.171 20 0 GGADHM O=c1[n-]c(SCCCO[C@@H]2CCCCO2)nc2c1cnn2-c1ccccc1 ZINC000185062726 1431052164 /nfs/dbraw/zinc/05/21/64/1431052164.db2.gz ZACJGHYZIMRHST-MRXNPFEDSA-N -1 3 386.477 3.134 20 0 GGADHM CCn1c(=O)[nH]nc1S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000185091236 1431058542 /nfs/dbraw/zinc/05/85/42/1431058542.db2.gz UEXWFEIGCOTOGO-MRVPVSSYSA-N -1 3 389.462 3.003 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1 ZINC000185267776 1431096960 /nfs/dbraw/zinc/09/69/60/1431096960.db2.gz QPQILPKBZUIHFR-AWEZNQCLSA-N -1 3 394.468 3.108 20 0 GGADHM COCC1=CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000185396723 1431136029 /nfs/dbraw/zinc/13/60/29/1431136029.db2.gz WNUIHVGIYPQSHU-OAQYLSRUSA-N -1 3 394.471 3.059 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000185405855 1431137880 /nfs/dbraw/zinc/13/78/80/1431137880.db2.gz DFTGVEUSERPKLC-UHFFFAOYSA-N -1 3 376.365 3.493 20 0 GGADHM Cc1nc(-c2ccc(N3CCN([C@@H](C)c4ccsc4)CC3)nc2)[n-]c(=O)c1C ZINC000185478985 1431154435 /nfs/dbraw/zinc/15/44/35/1431154435.db2.gz ZRTSQGQLKHUQAV-INIZCTEOSA-N -1 3 395.532 3.393 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN([C@H](C)c4ccsc4)CC3)nc2)n1 ZINC000185485707 1431155507 /nfs/dbraw/zinc/15/55/07/1431155507.db2.gz RDOWNADRUDBEDE-OAHLLOKOSA-N -1 3 395.532 3.339 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2(c3ccccc3)CCCC2)c(C)o1 ZINC000185486194 1431155611 /nfs/dbraw/zinc/15/56/11/1431155611.db2.gz XCLZPZFQZVCBON-OAHLLOKOSA-N -1 3 390.505 3.126 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000185529419 1431164939 /nfs/dbraw/zinc/16/49/39/1431164939.db2.gz OYMSKUSFGZCTGK-QAPCUYQASA-N -1 3 395.390 3.366 20 0 GGADHM Cc1ccc(C(=O)c2c([N-]C(=O)c3cnsn3)sc3c2CCOC3)cc1 ZINC000185639115 1431191757 /nfs/dbraw/zinc/19/17/57/1431191757.db2.gz MSLZLTWTHVAGFI-UHFFFAOYSA-N -1 3 385.470 3.464 20 0 GGADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185688842 1431206637 /nfs/dbraw/zinc/20/66/37/1431206637.db2.gz QWLPGKNBRBKBJG-BHWKSOARSA-N -1 3 377.227 3.456 20 0 GGADHM Cn1nc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)cc1OC(F)F ZINC000185709841 1431212330 /nfs/dbraw/zinc/21/23/30/1431212330.db2.gz PTWDMBVLOYPNRQ-UHFFFAOYSA-N -1 3 393.419 3.451 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000185729532 1431217649 /nfs/dbraw/zinc/21/76/49/1431217649.db2.gz BBATUPGRJIJDRN-XOVFHRFOSA-N -1 3 395.846 3.264 20 0 GGADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@H](c1nccs1)c1ccccc1 ZINC000185764630 1431228773 /nfs/dbraw/zinc/22/87/73/1431228773.db2.gz IVUBRPJLXGLQIA-KRWDZBQOSA-N -1 3 385.470 3.493 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000185802040 1431239397 /nfs/dbraw/zinc/23/93/97/1431239397.db2.gz MQQGVLBRHRRVEO-LAUBAEHRSA-N -1 3 380.444 3.117 20 0 GGADHM O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cccc(O)c1[O-] ZINC000185829090 1431245751 /nfs/dbraw/zinc/24/57/51/1431245751.db2.gz AVPQFRYMTNHQCK-UHFFFAOYSA-N -1 3 388.221 3.357 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(Cc3ccccc3)CCCCC2)c(C)o1 ZINC000185845242 1431250115 /nfs/dbraw/zinc/25/01/15/1431250115.db2.gz UANLZUVYWPOEOE-UHFFFAOYSA-N -1 3 390.505 3.172 20 0 GGADHM O=C([N-]NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F ZINC000185884003 1431262513 /nfs/dbraw/zinc/26/25/13/1431262513.db2.gz IXWGKSJKQBJOCX-WDEREUQCSA-N -1 3 386.732 3.461 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000185899683 1431270295 /nfs/dbraw/zinc/27/02/95/1431270295.db2.gz KEOIKTPAAIWFRK-FHLIRTJZSA-N -1 3 399.809 3.013 20 0 GGADHM c1cn(-c2ccccc2)nc1C[N-]c1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000185900637 1431270368 /nfs/dbraw/zinc/27/03/68/1431270368.db2.gz GVIGPIJJCQHHJC-SFHVURJKSA-N -1 3 375.388 3.380 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCC(Cl)(Cl)Cl)[n-]c(=O)c21 ZINC000186058160 1431321244 /nfs/dbraw/zinc/32/12/44/1431321244.db2.gz AFMQQXNHMSDODD-UHFFFAOYSA-N -1 3 396.683 3.266 20 0 GGADHM COC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000186157347 1431343514 /nfs/dbraw/zinc/34/35/14/1431343514.db2.gz GUTZSTKZIOJYPG-JTQLQIEISA-N -1 3 395.308 3.139 20 0 GGADHM C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186189293 1431349281 /nfs/dbraw/zinc/34/92/81/1431349281.db2.gz OTEWAOQGKRZBHK-OAHLLOKOSA-N -1 3 382.439 3.460 20 0 GGADHM O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(F)c(F)c([O-])c1F ZINC000186331137 1431384522 /nfs/dbraw/zinc/38/45/22/1431384522.db2.gz NTRMSHMLTCFTEJ-UHFFFAOYSA-N -1 3 388.455 3.291 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC000186415938 1431410687 /nfs/dbraw/zinc/41/06/87/1431410687.db2.gz CNSJXOOARIMCMN-UHFFFAOYSA-N -1 3 396.462 3.229 20 0 GGADHM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000186454709 1431423651 /nfs/dbraw/zinc/42/36/51/1431423651.db2.gz LZRMERBXVWOQPP-UHFFFAOYSA-N -1 3 390.505 3.409 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(COC(C)(C)C)on3)nc2)n1 ZINC000186468435 1431428152 /nfs/dbraw/zinc/42/81/52/1431428152.db2.gz XUCLRZVXMNTNOT-UHFFFAOYSA-N -1 3 383.452 3.310 20 0 GGADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c1 ZINC000186471325 1431428482 /nfs/dbraw/zinc/42/84/82/1431428482.db2.gz YDNHSWURHKHGBU-UHFFFAOYSA-N -1 3 382.445 3.141 20 0 GGADHM O=S(=O)([N-]c1cncc(Br)c1)C1=Cc2ccccc2OCC1 ZINC000186481477 1431432246 /nfs/dbraw/zinc/43/22/46/1431432246.db2.gz TZECKDZOHDHFKU-UHFFFAOYSA-N -1 3 381.251 3.409 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000186490477 1431434593 /nfs/dbraw/zinc/43/45/93/1431434593.db2.gz AJMPTMKKNINBBT-GOSISDBHSA-N -1 3 395.406 3.214 20 0 GGADHM Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccc(F)cc2)cn1 ZINC000186511586 1431442471 /nfs/dbraw/zinc/44/24/71/1431442471.db2.gz ULGMAKDCFXXLFL-QGZVFWFLSA-N -1 3 399.369 3.044 20 0 GGADHM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)CCO2 ZINC000186652942 1431481320 /nfs/dbraw/zinc/48/13/20/1431481320.db2.gz RIMSQOKSCFBQDJ-ZDUSSCGKSA-N -1 3 387.379 3.305 20 0 GGADHM CCOc1cc(C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186697990 1431494686 /nfs/dbraw/zinc/49/46/86/1431494686.db2.gz WOLDWWVJUAYOLJ-LZWOXQAQSA-N -1 3 396.915 3.158 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(Cl)c(C)c2)c1F ZINC000186715858 1431499679 /nfs/dbraw/zinc/49/96/79/1431499679.db2.gz LRTDRMQQQGUQJJ-UHFFFAOYSA-N -1 3 389.807 3.192 20 0 GGADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1nnc2ccccc2c1[O-] ZINC000186744443 1431506451 /nfs/dbraw/zinc/50/64/51/1431506451.db2.gz FNPLTAFRPHSUJP-UHFFFAOYSA-N -1 3 388.349 3.053 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])Nc1ccc(Cl)cc1Br ZINC000186758287 1431509230 /nfs/dbraw/zinc/50/92/30/1431509230.db2.gz CXDXXJIQSQVYSG-UHFFFAOYSA-N -1 3 384.617 3.275 20 0 GGADHM Cc1n[nH]c(C)c1CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000186818772 1431526973 /nfs/dbraw/zinc/52/69/73/1431526973.db2.gz OYPHLMLAQSFTIJ-UHFFFAOYSA-N -1 3 398.488 3.317 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2CCc3ccccc32)[n-]c1-c1ccccc1 ZINC000186837294 1431533419 /nfs/dbraw/zinc/53/34/19/1431533419.db2.gz UJGNBZMBZJZSOK-OAHLLOKOSA-N -1 3 395.484 3.137 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N2CCc3ccccc32)[n-]c1-c1ccccc1 ZINC000186837273 1431533600 /nfs/dbraw/zinc/53/36/00/1431533600.db2.gz UJGNBZMBZJZSOK-HNNXBMFYSA-N -1 3 395.484 3.137 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)NCc2ccccc2C)[n-]c1-c1ccccc1 ZINC000186837659 1431534382 /nfs/dbraw/zinc/53/43/82/1431534382.db2.gz RPZHEHYNQGEFAM-MRXNPFEDSA-N -1 3 397.500 3.172 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2C)[n-]c1-c1ccccc1 ZINC000186837676 1431534573 /nfs/dbraw/zinc/53/45/73/1431534573.db2.gz RPZHEHYNQGEFAM-INIZCTEOSA-N -1 3 397.500 3.172 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)NC2CCC(C)CC2)[n-]c1-c1ccccc1 ZINC000186847931 1431538315 /nfs/dbraw/zinc/53/83/15/1431538315.db2.gz MSESWCZITZVMAD-GULBITTBSA-N -1 3 389.521 3.242 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2cccc(C(=O)N(C)C)c2)nc1-c1ccccc1 ZINC000186849916 1431539007 /nfs/dbraw/zinc/53/90/07/1431539007.db2.gz VEBYDLCPOKPKHB-UHFFFAOYSA-N -1 3 383.473 3.061 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2cccc(C(=O)N(C)C)c2)[n-]c1-c1ccccc1 ZINC000186849916 1431539014 /nfs/dbraw/zinc/53/90/14/1431539014.db2.gz VEBYDLCPOKPKHB-UHFFFAOYSA-N -1 3 383.473 3.061 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2cc3ccccc3[nH]c2=O)[n-]c1-c1ccccc1 ZINC000186850367 1431540117 /nfs/dbraw/zinc/54/01/17/1431540117.db2.gz HNLGVOPPENBQTB-UHFFFAOYSA-N -1 3 379.441 3.201 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2cc3ccccc3[nH]c2=O)nc1-c1ccccc1 ZINC000186850367 1431540124 /nfs/dbraw/zinc/54/01/24/1431540124.db2.gz HNLGVOPPENBQTB-UHFFFAOYSA-N -1 3 379.441 3.201 20 0 GGADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N(C(C)C)C(C)C)[n-]c1-c1ccccc1 ZINC000186853156 1431540543 /nfs/dbraw/zinc/54/05/43/1431540543.db2.gz BCOXIVKMESTHFX-HNNXBMFYSA-N -1 3 377.510 3.193 20 0 GGADHM C[C@H]1CN(CCC2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)C[C@H](C)O1 ZINC000186852805 1431541070 /nfs/dbraw/zinc/54/10/70/1431541070.db2.gz HKVACQOOZKSKHF-KBPBESRZSA-N -1 3 382.451 3.022 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)[n-]c1-c1ccccc1 ZINC000186853504 1431541104 /nfs/dbraw/zinc/54/11/04/1431541104.db2.gz BTCNOESYYPLLLA-YSVLISHTSA-N -1 3 389.521 3.242 20 0 GGADHM CCOc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-] ZINC000186854340 1431541428 /nfs/dbraw/zinc/54/14/28/1431541428.db2.gz UCQCORVXBNIQNC-ZIAGYGMSSA-N -1 3 384.904 3.064 20 0 GGADHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186856133 1431542470 /nfs/dbraw/zinc/54/24/70/1431542470.db2.gz SVGPRIYXBRZONM-NVXWUHKLSA-N -1 3 389.521 3.338 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)NCc2ccc(C)cc2)[n-]c1-c1ccccc1 ZINC000186856501 1431542581 /nfs/dbraw/zinc/54/25/81/1431542581.db2.gz OHVPGWSFJDPOPS-MRXNPFEDSA-N -1 3 397.500 3.172 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2C)[n-]c1-c1ccccc1 ZINC000186856889 1431542692 /nfs/dbraw/zinc/54/26/92/1431542692.db2.gz NCBYOWHKDAKCNG-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(C)cc2C)nc1-c1ccccc1 ZINC000186856889 1431542694 /nfs/dbraw/zinc/54/26/94/1431542694.db2.gz NCBYOWHKDAKCNG-UHFFFAOYSA-N -1 3 383.473 3.414 20 0 GGADHM CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186856156 1431542754 /nfs/dbraw/zinc/54/27/54/1431542754.db2.gz SVGPRIYXBRZONM-WBVHZDCISA-N -1 3 389.521 3.338 20 0 GGADHM O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc(F)c([O-])c(F)c1 ZINC000186858356 1431543204 /nfs/dbraw/zinc/54/32/04/1431543204.db2.gz OAIZLESOOAKRME-UHFFFAOYSA-N -1 3 376.403 3.127 20 0 GGADHM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000186951938 1431575401 /nfs/dbraw/zinc/57/54/01/1431575401.db2.gz GUQDJRRZFLWXPV-ZDUSSCGKSA-N -1 3 376.884 3.116 20 0 GGADHM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000186951917 1431575518 /nfs/dbraw/zinc/57/55/18/1431575518.db2.gz GUQDJRRZFLWXPV-CYBMUJFWSA-N -1 3 376.884 3.116 20 0 GGADHM CCn1ncc2ccc([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)cc21 ZINC000186973840 1431580505 /nfs/dbraw/zinc/58/05/05/1431580505.db2.gz MOMWAYPTYLDZJC-AUUYWEPGSA-N -1 3 375.494 3.193 20 0 GGADHM CC(F)(F)c1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000187004633 1431587286 /nfs/dbraw/zinc/58/72/86/1431587286.db2.gz UHTCEWVQEZFFIT-UHFFFAOYSA-N -1 3 389.402 3.494 20 0 GGADHM Cc1cc(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1Cl ZINC000187053271 1431600325 /nfs/dbraw/zinc/60/03/25/1431600325.db2.gz MNZQZWQAPVHNNR-UHFFFAOYSA-N -1 3 387.867 3.022 20 0 GGADHM CCOCCO[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000187157689 1431633931 /nfs/dbraw/zinc/63/39/31/1431633931.db2.gz LOAIPFUHHJCHGC-UHFFFAOYSA-N -1 3 386.279 3.423 20 0 GGADHM Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cccc4n[n-]nc43)c2)cc1 ZINC000187173848 1431638113 /nfs/dbraw/zinc/63/81/13/1431638113.db2.gz OSCLOTSTTLYNKE-UHFFFAOYSA-N -1 3 399.454 3.126 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000187211832 1431649599 /nfs/dbraw/zinc/64/95/99/1431649599.db2.gz FGXSSQFZXQALGP-UHFFFAOYSA-N -1 3 380.366 3.003 20 0 GGADHM O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187224686 1431654706 /nfs/dbraw/zinc/65/47/06/1431654706.db2.gz ICMDFVZFMBJFQV-UHFFFAOYSA-N -1 3 389.390 3.279 20 0 GGADHM COc1cccc(Oc2ccc(CNC(=O)c3cccc4n[n-]nc43)cn2)c1 ZINC000187224162 1431655149 /nfs/dbraw/zinc/65/51/49/1431655149.db2.gz SJHPLOILPFYVET-UHFFFAOYSA-N -1 3 375.388 3.084 20 0 GGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3cccc(Cl)c3)nn2)cc1 ZINC000187243984 1431662875 /nfs/dbraw/zinc/66/28/75/1431662875.db2.gz VRUYLEFYFDITCH-KRWDZBQOSA-N -1 3 393.834 3.444 20 0 GGADHM CN(C(=O)Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1)c1ccccc1 ZINC000187280707 1431680214 /nfs/dbraw/zinc/68/02/14/1431680214.db2.gz MDEMEMLBTFMXJK-UHFFFAOYSA-N -1 3 385.427 3.416 20 0 GGADHM O=c1[n-]nc(SCc2nc(-c3ccccc3F)no2)n1CCc1ccccc1 ZINC000187410757 1431722265 /nfs/dbraw/zinc/72/22/65/1431722265.db2.gz DJRDBUNHXOCGEQ-UHFFFAOYSA-N -1 3 397.435 3.296 20 0 GGADHM Cc1cnccc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000187439045 1431730356 /nfs/dbraw/zinc/73/03/56/1431730356.db2.gz DDBGNQXSHWTWTC-NRFANRHFSA-N -1 3 389.455 3.273 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cc(C)cc(Br)c2)c([O-])c1 ZINC000187487108 1431746536 /nfs/dbraw/zinc/74/65/36/1431746536.db2.gz GKLWTUWLYRJKNC-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM Cn1cnnc1Sc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000187640257 1431786345 /nfs/dbraw/zinc/78/63/45/1431786345.db2.gz PQVIISZDSSPNRD-UHFFFAOYSA-N -1 3 385.840 3.143 20 0 GGADHM Cc1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)nc(C(F)(F)F)n1 ZINC000187723518 1431804238 /nfs/dbraw/zinc/80/42/38/1431804238.db2.gz COTBMNOHDIURLY-UHFFFAOYSA-N -1 3 379.367 3.498 20 0 GGADHM O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1cccc2n[n-]nc21 ZINC000187731069 1431805070 /nfs/dbraw/zinc/80/50/70/1431805070.db2.gz XGNSMRDMWOLRQM-UHFFFAOYSA-N -1 3 391.410 3.334 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccc(F)cc3F)CCCC2)c(=O)[n-]1 ZINC000187783419 1431811907 /nfs/dbraw/zinc/81/19/07/1431811907.db2.gz YFDJXMUTBJIYTL-UHFFFAOYSA-N -1 3 389.446 3.226 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000187850925 1431819929 /nfs/dbraw/zinc/81/99/29/1431819929.db2.gz ZMOGWSVXZYKXDV-CYBMUJFWSA-N -1 3 398.290 3.423 20 0 GGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1nnc3ccccc3c1[O-])CC2 ZINC000187960033 1431831540 /nfs/dbraw/zinc/83/15/40/1431831540.db2.gz LZPGAQNEUMHPSS-UHFFFAOYSA-N -1 3 398.260 3.193 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)C1=Cc2ccccc2OC1 ZINC000188103036 1431846992 /nfs/dbraw/zinc/84/69/92/1431846992.db2.gz QAXWZIQMRMLGGH-UHFFFAOYSA-N -1 3 385.470 3.058 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2C)c1F ZINC000188107361 1431847577 /nfs/dbraw/zinc/84/75/77/1431847577.db2.gz VNCIHVJGNGBJNW-UHFFFAOYSA-N -1 3 389.807 3.192 20 0 GGADHM CCOC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000188211259 1431860855 /nfs/dbraw/zinc/86/08/55/1431860855.db2.gz XVNBNNGLINUAGS-NSHDSACASA-N -1 3 392.880 3.014 20 0 GGADHM CCOC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000188218850 1431862066 /nfs/dbraw/zinc/86/20/66/1431862066.db2.gz ZZYWAAGPISHUJK-LLVKDONJSA-N -1 3 392.880 3.014 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000188232146 1431863914 /nfs/dbraw/zinc/86/39/14/1431863914.db2.gz AOJCNHJUVWTYLI-NTCAYCPXSA-N -1 3 383.835 3.488 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)ccc(OC)c3OC)c2)n1 ZINC000188256903 1431866318 /nfs/dbraw/zinc/86/63/18/1431866318.db2.gz ULKAGUXVNABSPW-UHFFFAOYSA-N -1 3 397.406 3.408 20 0 GGADHM CC(C)(C)OC(=O)N1CC=C(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000188338547 1431874830 /nfs/dbraw/zinc/87/48/30/1431874830.db2.gz DWQCMHRBOFBUDH-UHFFFAOYSA-N -1 3 392.930 3.247 20 0 GGADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1nnc2ccccc2c1[O-] ZINC000188343146 1431875203 /nfs/dbraw/zinc/87/52/03/1431875203.db2.gz GILSZCFSCFGAFV-LBPRGKRZSA-N -1 3 399.834 3.244 20 0 GGADHM CC(C)n1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000188357798 1431876647 /nfs/dbraw/zinc/87/66/47/1431876647.db2.gz ZDNHJLAXMWPPFC-UHFFFAOYSA-N -1 3 390.871 3.314 20 0 GGADHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000188392671 1431880347 /nfs/dbraw/zinc/88/03/47/1431880347.db2.gz NNAGVIYFOPFNBG-AWEZNQCLSA-N -1 3 391.386 3.035 20 0 GGADHM COc1ccc(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000188395097 1431880580 /nfs/dbraw/zinc/88/05/80/1431880580.db2.gz IERNDCYHLQRMIE-KRWDZBQOSA-N -1 3 390.440 3.130 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3c[nH]cn3)ccc2C)c1 ZINC000188429466 1431883545 /nfs/dbraw/zinc/88/35/45/1431883545.db2.gz WAJYMFKFBREFFZ-UHFFFAOYSA-N -1 3 398.488 3.399 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3cnc[nH]3)ccc2C)c1 ZINC000188429466 1431883546 /nfs/dbraw/zinc/88/35/46/1431883546.db2.gz WAJYMFKFBREFFZ-UHFFFAOYSA-N -1 3 398.488 3.399 20 0 GGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188597712 1431898815 /nfs/dbraw/zinc/89/88/15/1431898815.db2.gz JJNMMOHHPNXROF-VLIAUNLRSA-N -1 3 380.448 3.013 20 0 GGADHM [O-]c1ccc(Cl)cc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188666639 1431926685 /nfs/dbraw/zinc/92/66/85/1431926685.db2.gz NZLPKZHCKNYQEF-UHFFFAOYSA-N -1 3 378.807 3.238 20 0 GGADHM CC1(C)CN([C@H](C[N-]S(=O)(=O)c2ccco2)c2ccc(Cl)cc2)CCO1 ZINC000188671069 1431927141 /nfs/dbraw/zinc/92/71/41/1431927141.db2.gz VHSBHDJGZVSISP-MRXNPFEDSA-N -1 3 398.912 3.063 20 0 GGADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2)c1 ZINC000188679551 1431930179 /nfs/dbraw/zinc/93/01/79/1431930179.db2.gz GQPSWSJAWGJKRW-UHFFFAOYSA-N -1 3 390.321 3.315 20 0 GGADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2)c1 ZINC000188679551 1431930196 /nfs/dbraw/zinc/93/01/96/1431930196.db2.gz GQPSWSJAWGJKRW-UHFFFAOYSA-N -1 3 390.321 3.315 20 0 GGADHM Cc1ccc(NC(=O)C2(C[N-]S(=O)(=O)c3ccco3)CCCC2)cc1C ZINC000188748330 1431957284 /nfs/dbraw/zinc/95/72/84/1431957284.db2.gz OIJGLRKCSWWAIY-UHFFFAOYSA-N -1 3 376.478 3.374 20 0 GGADHM COC(=O)CC(C)(C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000188916530 1432008001 /nfs/dbraw/zinc/00/80/01/1432008001.db2.gz UPOZQVASMYWPKC-UHFFFAOYSA-N -1 3 376.222 3.115 20 0 GGADHM C[C@@](O)(CCNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000188804542 1431981188 /nfs/dbraw/zinc/98/11/88/1431981188.db2.gz WXKPLTBEEFPPNU-GOSISDBHSA-N -1 3 393.281 3.252 20 0 GGADHM O=c1[n-]nc(SCCOCC(F)(F)C(F)(F)F)n1CCc1ccccc1 ZINC000188820451 1431989864 /nfs/dbraw/zinc/98/98/64/1431989864.db2.gz YNKZZPZFIUXELC-UHFFFAOYSA-N -1 3 397.369 3.120 20 0 GGADHM CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cccc4n[n-]nc43)cc2C1 ZINC000188923671 1432009641 /nfs/dbraw/zinc/00/96/41/1432009641.db2.gz ZLJISAHHUMCAAS-UHFFFAOYSA-N -1 3 393.447 3.139 20 0 GGADHM Cc1cc(-c2ncccc2NC(=O)NCCNC(=O)c2ccc([O-])cc2)cs1 ZINC000189189808 1432060992 /nfs/dbraw/zinc/06/09/92/1432060992.db2.gz HOXMUUXTGOZKOS-UHFFFAOYSA-N -1 3 396.472 3.376 20 0 GGADHM CCc1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c([O-])c1 ZINC000189221678 1432065837 /nfs/dbraw/zinc/06/58/37/1432065837.db2.gz CZVMKDNLFDUJFS-MRXNPFEDSA-N -1 3 382.460 3.051 20 0 GGADHM Cc1ccc(CC(=O)[N-]O[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000189266300 1432074878 /nfs/dbraw/zinc/07/48/78/1432074878.db2.gz GKRLSYOZVAVUFI-IBGZPJMESA-N -1 3 388.414 3.055 20 0 GGADHM COCN1c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2CCC1=O ZINC000189271751 1432075717 /nfs/dbraw/zinc/07/57/17/1432075717.db2.gz CZJCBNRYEYOVAX-UHFFFAOYSA-N -1 3 388.489 3.296 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1F ZINC000189321106 1432085815 /nfs/dbraw/zinc/08/58/15/1432085815.db2.gz URPOMMYQSKXDPL-UHFFFAOYSA-N -1 3 383.357 3.368 20 0 GGADHM CC[C@@]1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000189337913 1432088980 /nfs/dbraw/zinc/08/89/80/1432088980.db2.gz XVRYHMFHOVESDP-REWPJTCUSA-N -1 3 396.487 3.281 20 0 GGADHM C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000189364177 1432094064 /nfs/dbraw/zinc/09/40/64/1432094064.db2.gz VRDWHNOAKIKPHG-WFASDCNBSA-N -1 3 380.872 3.038 20 0 GGADHM CCOc1ccc(NC(=O)NN=c2nc(C)cc(C)[n-]2)cc1Br ZINC000189487185 1432132611 /nfs/dbraw/zinc/13/26/11/1432132611.db2.gz XMYJREZGBHAPAV-UHFFFAOYSA-N -1 3 380.246 3.403 20 0 GGADHM CCOc1cccc2[nH]cc(CC(=O)Nc3nc4c(cccc4C(=O)OC)[n-]3)c21 ZINC000189531113 1432150908 /nfs/dbraw/zinc/15/09/08/1432150908.db2.gz CHBMEWKYYAOMNH-UHFFFAOYSA-N -1 3 392.415 3.411 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cnns3)c2)cc1 ZINC000189570683 1432162626 /nfs/dbraw/zinc/16/26/26/1432162626.db2.gz ZDECYIJTTUDNOA-UHFFFAOYSA-N -1 3 388.474 3.208 20 0 GGADHM CC(C)COC[C@@H]([N-]S(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccco1 ZINC000189573247 1432163839 /nfs/dbraw/zinc/16/38/39/1432163839.db2.gz GRWGIDOGVXADOO-GOSISDBHSA-N -1 3 393.505 3.090 20 0 GGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c([O-])c1 ZINC000189581684 1432166968 /nfs/dbraw/zinc/16/69/68/1432166968.db2.gz JWMBHBWQBXGUQV-UHFFFAOYSA-N -1 3 382.460 3.454 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000189699471 1432208123 /nfs/dbraw/zinc/20/81/23/1432208123.db2.gz BEIAWVSCQNORSZ-UHFFFAOYSA-N -1 3 395.425 3.476 20 0 GGADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(-n2cc(Cl)cn2)n1 ZINC000189724130 1432215332 /nfs/dbraw/zinc/21/53/32/1432215332.db2.gz YFJYXKZWSLBCCC-UHFFFAOYSA-N -1 3 389.818 3.073 20 0 GGADHM CCc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c([O-])c1 ZINC000189913637 1432271891 /nfs/dbraw/zinc/27/18/91/1432271891.db2.gz YUSKGWQZHAMEGQ-UHFFFAOYSA-N -1 3 384.451 3.262 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2CC)[n-]n1 ZINC000190030733 1432307915 /nfs/dbraw/zinc/30/79/15/1432307915.db2.gz MKPSMCRSIQBOKL-UHFFFAOYSA-N -1 3 387.827 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2CC)n[n-]1 ZINC000190030733 1432307919 /nfs/dbraw/zinc/30/79/19/1432307919.db2.gz MKPSMCRSIQBOKL-UHFFFAOYSA-N -1 3 387.827 3.240 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)[n-]n1 ZINC000190030367 1432307950 /nfs/dbraw/zinc/30/79/50/1432307950.db2.gz HGTGIHFANVLMLB-UHFFFAOYSA-N -1 3 381.436 3.456 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)n[n-]1 ZINC000190030367 1432307954 /nfs/dbraw/zinc/30/79/54/1432307954.db2.gz HGTGIHFANVLMLB-UHFFFAOYSA-N -1 3 381.436 3.456 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)N1CCCCO1 ZINC000190055270 1432311860 /nfs/dbraw/zinc/31/18/60/1432311860.db2.gz QEOLAUSFDAYKIB-UHFFFAOYSA-N -1 3 398.843 3.448 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)c([O-])c1 ZINC000190064989 1432313327 /nfs/dbraw/zinc/31/33/27/1432313327.db2.gz UUJQNAOOAGGPAU-UHFFFAOYSA-N -1 3 389.521 3.294 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)c([O-])c1 ZINC000190125880 1432324018 /nfs/dbraw/zinc/32/40/18/1432324018.db2.gz MMJUNRAJTBVJSS-UHFFFAOYSA-N -1 3 396.487 3.478 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c([O-])c1 ZINC000190129058 1432324915 /nfs/dbraw/zinc/32/49/15/1432324915.db2.gz JJXOYKBXEATNKE-UHFFFAOYSA-N -1 3 387.480 3.134 20 0 GGADHM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190272129 1432351504 /nfs/dbraw/zinc/35/15/04/1432351504.db2.gz UROOQTNEIQYWGJ-UHFFFAOYSA-N -1 3 398.484 3.406 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000190317562 1432359986 /nfs/dbraw/zinc/35/99/86/1432359986.db2.gz CHRSZHHDARHCOK-HNNXBMFYSA-N -1 3 384.480 3.129 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c(C)c1F ZINC000190372646 1432368820 /nfs/dbraw/zinc/36/88/20/1432368820.db2.gz MBIZKINMZUPQLN-UHFFFAOYSA-N -1 3 375.425 3.438 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC(CN3CCCCC3=O)CC2)c([O-])c1 ZINC000190444540 1432383283 /nfs/dbraw/zinc/38/32/83/1432383283.db2.gz JVEZXFXCXZYGHN-UHFFFAOYSA-N -1 3 388.508 3.436 20 0 GGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cccc([N+](=O)[O-])c1Br ZINC000190480783 1432389736 /nfs/dbraw/zinc/38/97/36/1432389736.db2.gz BURRWYHZFREWSR-UHFFFAOYSA-N -1 3 396.588 3.306 20 0 GGADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000190550274 1432404313 /nfs/dbraw/zinc/40/43/13/1432404313.db2.gz AESJJJXHJWEYNK-KPZWWZAWSA-N -1 3 387.423 3.012 20 0 GGADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000190673482 1432439562 /nfs/dbraw/zinc/43/95/62/1432439562.db2.gz BVCLEDUCAKOBAO-VHSXEESVSA-N -1 3 385.960 3.052 20 0 GGADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000190673419 1432439967 /nfs/dbraw/zinc/43/99/67/1432439967.db2.gz BVCLEDUCAKOBAO-ZJUUUORDSA-N -1 3 385.960 3.052 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(Cn2cncn2)CC1 ZINC000190708818 1432450199 /nfs/dbraw/zinc/45/01/99/1432450199.db2.gz WUHBSMAWGAHUQR-UHFFFAOYSA-N -1 3 378.432 3.328 20 0 GGADHM Cc1ccccc1NC(=O)N[N-]C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190803186 1432487467 /nfs/dbraw/zinc/48/74/67/1432487467.db2.gz RZKMTMDBNQIGRP-UHFFFAOYSA-N -1 3 399.209 3.232 20 0 GGADHM CCCCOc1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000190903144 1432525047 /nfs/dbraw/zinc/52/50/47/1432525047.db2.gz YJMAIHBDSDZAPO-GOSISDBHSA-N -1 3 396.487 3.350 20 0 GGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)CN(C)C)cc1 ZINC000190991144 1432544883 /nfs/dbraw/zinc/54/48/83/1432544883.db2.gz WQYLZVRTMDKJLQ-UHFFFAOYSA-N -1 3 375.494 3.111 20 0 GGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c([O-])c1 ZINC000191046915 1432556962 /nfs/dbraw/zinc/55/69/62/1432556962.db2.gz LNDMSHANECVOFG-UHFFFAOYSA-N -1 3 390.842 3.345 20 0 GGADHM CCCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccc(F)cc1 ZINC000191095706 1432566739 /nfs/dbraw/zinc/56/67/39/1432566739.db2.gz QURAZNRTDKYMLC-UHFFFAOYSA-N -1 3 397.454 3.235 20 0 GGADHM CC(C)c1c(C(=O)[N-]NC(=O)c2cccn2C)cnn1-c1ccccc1Cl ZINC000191232078 1432597867 /nfs/dbraw/zinc/59/78/67/1432597867.db2.gz IGIKJWWQUOEWRK-UHFFFAOYSA-N -1 3 385.855 3.062 20 0 GGADHM C[C@H]1CCS(=O)(=O)CCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000191327920 1432633576 /nfs/dbraw/zinc/63/35/76/1432633576.db2.gz GUEQHNSLTLRCRS-LBPRGKRZSA-N -1 3 398.322 3.317 20 0 GGADHM CCc1ccc(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)c([O-])c1 ZINC000191462283 1432666534 /nfs/dbraw/zinc/66/65/34/1432666534.db2.gz MWWJUOUFVXTRIG-UHFFFAOYSA-N -1 3 398.488 3.024 20 0 GGADHM CCOC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000191521785 1432678105 /nfs/dbraw/zinc/67/81/05/1432678105.db2.gz RRGWXCILMKOKLJ-MRXNPFEDSA-N -1 3 380.238 3.254 20 0 GGADHM Cn1ccc2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)c21 ZINC000191584132 1432687448 /nfs/dbraw/zinc/68/74/48/1432687448.db2.gz YMUULXBFUNBRQO-UHFFFAOYSA-N -1 3 387.436 3.010 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](COC)Cc3ccccc3)nc2)n1 ZINC000191650392 1432700080 /nfs/dbraw/zinc/70/00/80/1432700080.db2.gz XQXXVYZSIKAJSL-LJQANCHMSA-N -1 3 378.476 3.088 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](COC)Cc3ccccc3)nc2)n1 ZINC000191650371 1432700099 /nfs/dbraw/zinc/70/00/99/1432700099.db2.gz XQXXVYZSIKAJSL-IBGZPJMESA-N -1 3 378.476 3.088 20 0 GGADHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000191655009 1432700351 /nfs/dbraw/zinc/70/03/51/1432700351.db2.gz RNZRVCFGCGCSCC-MRXNPFEDSA-N -1 3 384.329 3.103 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c(C)o1 ZINC000191746635 1432717192 /nfs/dbraw/zinc/71/71/92/1432717192.db2.gz HWLJVQYDDQYNBX-UHFFFAOYSA-N -1 3 395.437 3.011 20 0 GGADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000191789123 1432725702 /nfs/dbraw/zinc/72/57/02/1432725702.db2.gz HXOZTGVPZLYZDA-UHFFFAOYSA-N -1 3 383.357 3.368 20 0 GGADHM CC(C)=CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000191831111 1432734450 /nfs/dbraw/zinc/73/44/50/1432734450.db2.gz NJZGJAXHNRQQGH-UHFFFAOYSA-N -1 3 377.293 3.130 20 0 GGADHM CCCCc1nc(NC(=O)c2ccnc(Br)c2)c(C(=O)OCC)[n-]1 ZINC000191963414 1432768843 /nfs/dbraw/zinc/76/88/43/1432768843.db2.gz VEKIWCJMQRAATA-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(C(=O)OCC)[n-]1 ZINC000191964308 1432769264 /nfs/dbraw/zinc/76/92/64/1432769264.db2.gz FLKCTOMINIQSFS-PBWFPOADSA-N -1 3 375.469 3.263 20 0 GGADHM CCCCc1nc(NC(=O)CCc2nnc(C(C)C)o2)c(C(=O)OCC)[n-]1 ZINC000191964963 1432769418 /nfs/dbraw/zinc/76/94/18/1432769418.db2.gz WNOQNAYSURFZKU-UHFFFAOYSA-N -1 3 377.445 3.007 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(N4C[C@H]5CC[C@@H]4C5)cc3)cc12 ZINC000191982820 1432774114 /nfs/dbraw/zinc/77/41/14/1432774114.db2.gz RPSJKPHKNOSWLN-WMLDXEAASA-N -1 3 397.504 3.066 20 0 GGADHM CCNc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000192041091 1432784681 /nfs/dbraw/zinc/78/46/81/1432784681.db2.gz PFNCQPSADATBNF-UHFFFAOYSA-N -1 3 387.867 3.076 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C ZINC000192042068 1432784969 /nfs/dbraw/zinc/78/49/69/1432784969.db2.gz ORHXXLLMZFZJIR-UHFFFAOYSA-N -1 3 399.882 3.414 20 0 GGADHM CCNc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000192059633 1432789733 /nfs/dbraw/zinc/78/97/33/1432789733.db2.gz MXOJRTQULNDQBT-UHFFFAOYSA-N -1 3 387.867 3.076 20 0 GGADHM O=c1[n-]c(SCC2CCC3(CC2)OCCO3)nc2c1cnn2-c1ccccc1 ZINC000192121523 1432801406 /nfs/dbraw/zinc/80/14/06/1432801406.db2.gz VHJFUHJCTDDUTH-UHFFFAOYSA-N -1 3 398.488 3.134 20 0 GGADHM O=C(NN=c1ccc(C(F)(F)F)n[n-]1)c1cc(Br)c(F)cc1F ZINC000192191034 1432813932 /nfs/dbraw/zinc/81/39/32/1432813932.db2.gz FLGHBWNKAUJFCT-UHFFFAOYSA-N -1 3 397.101 3.293 20 0 GGADHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1 ZINC000192196212 1432814562 /nfs/dbraw/zinc/81/45/62/1432814562.db2.gz LNRWFAPZNBDRSJ-LBPRGKRZSA-N -1 3 393.419 3.309 20 0 GGADHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc2[n-]c(=S)oc2c1 ZINC000192231435 1432820003 /nfs/dbraw/zinc/82/00/03/1432820003.db2.gz OTPZRRJAHJOOJC-QGZVFWFLSA-N -1 3 397.500 3.137 20 0 GGADHM CCCn1ccnc1CCCN(C)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000192236111 1432821029 /nfs/dbraw/zinc/82/10/29/1432821029.db2.gz DWVJNAYOFPMBGJ-UHFFFAOYSA-N -1 3 380.496 3.070 20 0 GGADHM O=C([N-]N=c1nc[nH]c2ccsc21)c1cccc([N+](=O)[O-])c1Br ZINC000192369514 1432837987 /nfs/dbraw/zinc/83/79/87/1432837987.db2.gz OKMVTAXPQDKXKN-UHFFFAOYSA-N -1 3 394.210 3.119 20 0 GGADHM COCc1ccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000192520240 1432854207 /nfs/dbraw/zinc/85/42/07/1432854207.db2.gz OYOINIHEVCZSSS-UHFFFAOYSA-N -1 3 396.216 3.201 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n1 ZINC000192544944 1432857443 /nfs/dbraw/zinc/85/74/43/1432857443.db2.gz OERNCTDEJRFHGQ-LBPRGKRZSA-N -1 3 395.290 3.316 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)n1 ZINC000192550827 1432858420 /nfs/dbraw/zinc/85/84/20/1432858420.db2.gz HOQACTCVQKIZIB-GFCCVEGCSA-N -1 3 395.290 3.316 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccccc3Br)C2)n1 ZINC000192563570 1432860600 /nfs/dbraw/zinc/86/06/00/1432860600.db2.gz HXNIGJXRIDSXCX-DOMZBBRYSA-N -1 3 378.270 3.388 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000192588657 1432863537 /nfs/dbraw/zinc/86/35/37/1432863537.db2.gz DSVCDUZHYJCGPW-AWEZNQCLSA-N -1 3 379.794 3.057 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000192650291 1432871316 /nfs/dbraw/zinc/87/13/16/1432871316.db2.gz AWCZRHBRPVYWPK-AWEZNQCLSA-N -1 3 389.887 3.445 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000192650280 1432871415 /nfs/dbraw/zinc/87/14/15/1432871415.db2.gz AWCZRHBRPVYWPK-CQSZACIVSA-N -1 3 389.887 3.445 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)n1 ZINC000192681445 1432874909 /nfs/dbraw/zinc/87/49/09/1432874909.db2.gz BMKIYICRDYQISO-QGZVFWFLSA-N -1 3 394.519 3.455 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)n1 ZINC000192681458 1432874967 /nfs/dbraw/zinc/87/49/67/1432874967.db2.gz BMKIYICRDYQISO-KRWDZBQOSA-N -1 3 394.519 3.455 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-]CCOc1ncccc1C(F)(F)F ZINC000192767405 1432887230 /nfs/dbraw/zinc/88/72/30/1432887230.db2.gz NPOFCMHBLOTENG-UHFFFAOYSA-N -1 3 375.297 3.091 20 0 GGADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(O)cc1[O-] ZINC000193077137 1432933056 /nfs/dbraw/zinc/93/30/56/1432933056.db2.gz CVZIBDNAIXFLSF-UHFFFAOYSA-N -1 3 387.823 3.040 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000193115514 1432938318 /nfs/dbraw/zinc/93/83/18/1432938318.db2.gz RGKILVUPODERLA-LBPRGKRZSA-N -1 3 398.916 3.102 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2ccc(COc3ccccc3)cc2)c(=O)[n-]1 ZINC000193147031 1432944785 /nfs/dbraw/zinc/94/47/85/1432944785.db2.gz WBHJTGAZUWKRJN-UHFFFAOYSA-N -1 3 391.471 3.215 20 0 GGADHM C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cccc(O)c1[O-] ZINC000193148461 1432945217 /nfs/dbraw/zinc/94/52/17/1432945217.db2.gz NBROXZREQPHFON-DIFFPNOSSA-N -1 3 392.249 3.463 20 0 GGADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C)cc1 ZINC000193182443 1432952595 /nfs/dbraw/zinc/95/25/95/1432952595.db2.gz OGKHMTKPWQGQJS-HXUWFJFHSA-N -1 3 381.476 3.319 20 0 GGADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000193226287 1432962250 /nfs/dbraw/zinc/96/22/50/1432962250.db2.gz IQCIRDIXQLUDER-LJQANCHMSA-N -1 3 381.476 3.401 20 0 GGADHM CCOc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(Cl)c1[O-] ZINC000193280435 1432973470 /nfs/dbraw/zinc/97/34/70/1432973470.db2.gz ADFOIPCIRQEFNP-UHFFFAOYSA-N -1 3 396.915 3.209 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2cc(N)ccc21 ZINC000193392187 1432989720 /nfs/dbraw/zinc/98/97/20/1432989720.db2.gz MQZGHJMEXMXDMF-MRXNPFEDSA-N -1 3 394.880 3.065 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000193395195 1432990271 /nfs/dbraw/zinc/99/02/71/1432990271.db2.gz PWHFCRULPCVDDC-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(O)cc1[O-] ZINC000193457434 1433002625 /nfs/dbraw/zinc/00/26/25/1433002625.db2.gz XNBYORHTTNHNCF-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193476567 1433005569 /nfs/dbraw/zinc/00/55/69/1433005569.db2.gz SPACZMFFAQDERQ-UHFFFAOYSA-N -1 3 393.365 3.401 20 0 GGADHM CCc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000193478851 1433006027 /nfs/dbraw/zinc/00/60/27/1433006027.db2.gz UJIFFLYHNHZJPU-UHFFFAOYSA-N -1 3 385.445 3.495 20 0 GGADHM Cc1cc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)ns1 ZINC000193526573 1433014382 /nfs/dbraw/zinc/01/43/82/1433014382.db2.gz GFSWXIKVRQXEQQ-UHFFFAOYSA-N -1 3 386.470 3.024 20 0 GGADHM COC(=O)c1cnc(SCC(=O)NCC2(c3ccc(F)cc3)CCCC2)[n-]1 ZINC000193535792 1433016283 /nfs/dbraw/zinc/01/62/83/1433016283.db2.gz LXZIIPUXOWCUHY-UHFFFAOYSA-N -1 3 391.468 3.056 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000193601796 1433027008 /nfs/dbraw/zinc/02/70/08/1433027008.db2.gz TYLKMNLTHNCNRU-OAQYLSRUSA-N -1 3 396.487 3.348 20 0 GGADHM O=C(NCc1nccs1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000193695653 1433042349 /nfs/dbraw/zinc/04/23/49/1433042349.db2.gz WKEIFXGMIJUOJB-UHFFFAOYSA-N -1 3 391.449 3.013 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CCC(O)CC3)cc2)cc1 ZINC000194001364 1433099011 /nfs/dbraw/zinc/09/90/11/1433099011.db2.gz URZMVRYCICWNFP-UHFFFAOYSA-N -1 3 388.489 3.285 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)cc4nccnc43)c2)n1 ZINC000194014487 1433101092 /nfs/dbraw/zinc/10/10/92/1433101092.db2.gz WVRDHNAVDQFDCO-UHFFFAOYSA-N -1 3 389.390 3.334 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)C3CCCCCC3)c2)n1 ZINC000194072651 1433112104 /nfs/dbraw/zinc/11/21/04/1433112104.db2.gz YFHQPBPDCVYREF-UHFFFAOYSA-N -1 3 396.491 3.119 20 0 GGADHM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000194258370 1433150862 /nfs/dbraw/zinc/15/08/62/1433150862.db2.gz FECQJHOLVICKDP-UHFFFAOYSA-N -1 3 393.270 3.226 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCOCC3)c2)cc1 ZINC000194281190 1433154647 /nfs/dbraw/zinc/15/46/47/1433154647.db2.gz BYGUFMLMHFKPIH-UHFFFAOYSA-N -1 3 388.489 3.013 20 0 GGADHM COc1ccc(NC(=O)c2cnn[n-]2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000194327896 1433162405 /nfs/dbraw/zinc/16/24/05/1433162405.db2.gz JGLDBGQSJYLZKC-UHFFFAOYSA-N -1 3 389.774 3.110 20 0 GGADHM COc1ccc(NC(=O)c2c[n-]nn2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000194327896 1433162407 /nfs/dbraw/zinc/16/24/07/1433162407.db2.gz JGLDBGQSJYLZKC-UHFFFAOYSA-N -1 3 389.774 3.110 20 0 GGADHM COc1ccc(NC(=O)c2cn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000194327896 1433162408 /nfs/dbraw/zinc/16/24/08/1433162408.db2.gz JGLDBGQSJYLZKC-UHFFFAOYSA-N -1 3 389.774 3.110 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000194407895 1433173294 /nfs/dbraw/zinc/17/32/94/1433173294.db2.gz IUVUCKYSKVJXIZ-UHFFFAOYSA-N -1 3 386.835 3.106 20 0 GGADHM CSC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000194541342 1433194625 /nfs/dbraw/zinc/19/46/25/1433194625.db2.gz VTGHPJVWDFHCNW-UHFFFAOYSA-N -1 3 394.493 3.252 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCc2nccs2)CC1 ZINC000194541984 1433194975 /nfs/dbraw/zinc/19/49/75/1433194975.db2.gz ZBZZWBIHUVFOTJ-UHFFFAOYSA-N -1 3 394.884 3.062 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)c(F)c1 ZINC000194614277 1433205544 /nfs/dbraw/zinc/20/55/44/1433205544.db2.gz DLSDFYUQEIXOLA-UHFFFAOYSA-N -1 3 390.440 3.192 20 0 GGADHM Cn1c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nc2ccccc21 ZINC000194647752 1433210749 /nfs/dbraw/zinc/21/07/49/1433210749.db2.gz SUNBPSBLVTYJDO-UHFFFAOYSA-N -1 3 388.456 3.288 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](C)c3cccnc3)nc(=O)c2c1C ZINC000194725603 1433220628 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RDXLIZGYOBTELE-VNHYZAJKSA-N -1 3 386.414 3.125 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c(C)o1 ZINC000246331948 1433595973 /nfs/dbraw/zinc/59/59/73/1433595973.db2.gz DTAQABNCQPVBJR-LGFNAOKASA-N -1 3 396.896 3.277 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cnc(Cl)c(Cl)c1 ZINC000246485077 1433619742 /nfs/dbraw/zinc/61/97/42/1433619742.db2.gz JUYWNWSFZKUUMH-CYZMBNFOSA-N -1 3 377.293 3.014 20 0 GGADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)n[nH]1 ZINC000247988073 1433761621 /nfs/dbraw/zinc/76/16/21/1433761621.db2.gz LBRAARMLTNSENQ-UHFFFAOYSA-N -1 3 384.461 3.388 20 0 GGADHM C[C@@H]1CC(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)O1 ZINC000248417075 1433800975 /nfs/dbraw/zinc/80/09/75/1433800975.db2.gz QQXPLIFJFDCGMQ-WHSLLNHNSA-N -1 3 396.487 3.326 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@H](c3ccccc3Br)C2)n1 ZINC000248725512 1433817912 /nfs/dbraw/zinc/81/79/12/1433817912.db2.gz HXNIGJXRIDSXCX-IUODEOHRSA-N -1 3 378.270 3.388 20 0 GGADHM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000251990244 1433861970 /nfs/dbraw/zinc/86/19/70/1433861970.db2.gz IVHQVQRVXKOUGH-ZDUSSCGKSA-N -1 3 376.453 3.100 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)c2)n1 ZINC000253543956 1433868656 /nfs/dbraw/zinc/86/86/56/1433868656.db2.gz CJHZLYPSPIWRKP-UOIKSKOESA-N -1 3 396.491 3.291 20 0 GGADHM CCC[C@H]1CN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CCO1 ZINC000253555708 1433869303 /nfs/dbraw/zinc/86/93/03/1433869303.db2.gz BAZVQNBPRMUIBF-OLZOCXBDSA-N -1 3 393.509 3.444 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C)[C@@H](C)C3)c2)n1 ZINC000253559620 1433869527 /nfs/dbraw/zinc/86/95/27/1433869527.db2.gz LUBWUSJGLJKKHJ-SUNYJGFJSA-N -1 3 396.491 3.291 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCO[C@](C)(CC)C3)nc(=O)c2c1C ZINC000253586803 1433869667 /nfs/dbraw/zinc/86/96/67/1433869667.db2.gz JEIWCBGPFCZDGY-CWTRNNRKSA-N -1 3 393.509 3.444 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)n1 ZINC000253609973 1433870410 /nfs/dbraw/zinc/87/04/10/1433870410.db2.gz WAJGDINDCSGLJP-PMUMKWKESA-N -1 3 396.491 3.291 20 0 GGADHM CC(C)(C)c1noc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000253609072 1433870484 /nfs/dbraw/zinc/87/04/84/1433870484.db2.gz URHAUZXOPCNGQD-UHFFFAOYSA-N -1 3 382.449 3.494 20 0 GGADHM CCOc1cc(C=NNC(=O)Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000254578710 1433871569 /nfs/dbraw/zinc/87/15/69/1433871569.db2.gz HUSHSPRMXMHVHM-UHFFFAOYSA-N -1 3 395.228 3.385 20 0 GGADHM O=C(Nc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1)c1ccncc1 ZINC000255007158 1433874015 /nfs/dbraw/zinc/87/40/15/1433874015.db2.gz JIVDUGVTVYLRIL-UYRXBGFRSA-N -1 3 384.395 3.057 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255237857 1433878873 /nfs/dbraw/zinc/87/88/73/1433878873.db2.gz AIJFRHLMJGRSIY-HODYELRESA-N -1 3 382.485 3.457 20 0 GGADHM O=C(/C=C\c1ccc(Cl)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000255328884 1433880539 /nfs/dbraw/zinc/88/05/39/1433880539.db2.gz QQCGVCVWUQSWLZ-VURMDHGXSA-N -1 3 376.865 3.105 20 0 GGADHM Cc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1OC1CCOCC1 ZINC000255430210 1433882795 /nfs/dbraw/zinc/88/27/95/1433882795.db2.gz MHAKZUJPSQWUFA-UYRXBGFRSA-N -1 3 378.428 3.276 20 0 GGADHM O=C1[N-]C(=O)/C(=C\NCc2cccc(COCC(F)(F)F)c2)c2ccccc21 ZINC000255740749 1433889000 /nfs/dbraw/zinc/88/90/00/1433889000.db2.gz LRWXVYCSSDARDF-YVLHZVERSA-N -1 3 390.361 3.166 20 0 GGADHM C/C(=C/c1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000255767856 1433889261 /nfs/dbraw/zinc/88/92/61/1433889261.db2.gz GUSWXSAQECQHGM-PFONDFGASA-N -1 3 384.863 3.434 20 0 GGADHM CC(C)(C)c1ncc(/C=C\C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000255864363 1433890371 /nfs/dbraw/zinc/89/03/71/1433890371.db2.gz UWHPVGXSHBSEDF-HJWRWDBZSA-N -1 3 399.516 3.144 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C4(N)CCC4)no3)cc2)c1 ZINC000261679743 1433898864 /nfs/dbraw/zinc/89/88/64/1433898864.db2.gz GUXNGYDCHOTNAS-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM NC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)CCCC1 ZINC000261733168 1433900681 /nfs/dbraw/zinc/90/06/81/1433900681.db2.gz KLADECBSIFGBKJ-UHFFFAOYSA-N -1 3 384.461 3.265 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(C4(N)CCC4)no3)cc2)c1C ZINC000261823186 1433905860 /nfs/dbraw/zinc/90/58/60/1433905860.db2.gz IOIFEADFMWINAL-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C4(N)CCC4)no3)c2)c1 ZINC000261879545 1433909167 /nfs/dbraw/zinc/90/91/67/1433909167.db2.gz WEZSKLXLCBXNNW-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccccc1Cc1ccccc1 ZINC000262139880 1433928634 /nfs/dbraw/zinc/92/86/34/1433928634.db2.gz LVEGBEMXAVZFOA-WMZHIEFXSA-N -1 3 378.472 3.403 20 0 GGADHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000262175423 1433929768 /nfs/dbraw/zinc/92/97/68/1433929768.db2.gz PNFZZXZLJQBFAI-MGPLVRAMSA-N -1 3 390.789 3.484 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc2)CC1 ZINC000262564704 1433943789 /nfs/dbraw/zinc/94/37/89/1433943789.db2.gz XOXNFANTMQYTTE-UHFFFAOYSA-N -1 3 395.503 3.487 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000262986299 1433973711 /nfs/dbraw/zinc/97/37/11/1433973711.db2.gz UTMYMGFCICCAKH-IBGZPJMESA-N -1 3 397.475 3.162 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000263062890 1433981744 /nfs/dbraw/zinc/98/17/44/1433981744.db2.gz SFYKVXHHZLYEHL-NNMXDRDESA-N -1 3 385.508 3.028 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000263101527 1433985923 /nfs/dbraw/zinc/98/59/23/1433985923.db2.gz BAAMIRMEKUNDHI-YLJYHZDGSA-N -1 3 380.488 3.277 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000263318931 1434001780 /nfs/dbraw/zinc/00/17/80/1434001780.db2.gz JDXNNRPEWBTLGK-NQIIRXRSSA-N -1 3 394.515 3.367 20 0 GGADHM C[C@@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000263324151 1434002058 /nfs/dbraw/zinc/00/20/58/1434002058.db2.gz KEXFGPYLTGRNQH-DNVCBOLYSA-N -1 3 376.472 3.140 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263332962 1434002475 /nfs/dbraw/zinc/00/24/75/1434002475.db2.gz CTRZPMVTPDBUIP-QGZVFWFLSA-N -1 3 381.904 3.229 20 0 GGADHM COc1c(Br)cc(Br)cc1CN(C)[C@@H](C)C(=O)[O-] ZINC000263394955 1434005195 /nfs/dbraw/zinc/00/51/95/1434005195.db2.gz GGAOKEIMUCJFKM-ZETCQYMHSA-N -1 3 381.064 3.125 20 0 GGADHM COC(=O)c1ccc(-c2ccc(CN3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)o2)cc1 ZINC000263529857 1434011550 /nfs/dbraw/zinc/01/15/50/1434011550.db2.gz VVQWRXFMCOTBOZ-HUUCEWRRSA-N -1 3 397.349 3.428 20 0 GGADHM COc1ccc(-c2ccncc2)cc1CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263527815 1434011778 /nfs/dbraw/zinc/01/17/78/1434011778.db2.gz UXFTXSWVFALMFI-HZPDHXFCSA-N -1 3 380.366 3.452 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(Cc2cccc(Br)c2C)CC1 ZINC000263565237 1434013426 /nfs/dbraw/zinc/01/34/26/1434013426.db2.gz FJJPKWHGSNKSBK-MRXNPFEDSA-N -1 3 397.313 3.045 20 0 GGADHM COc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c([O-])c1 ZINC000263924867 1434049438 /nfs/dbraw/zinc/04/94/38/1434049438.db2.gz QIGMFGMADGGLJD-MRXNPFEDSA-N -1 3 397.475 3.383 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccc(C)s2)cc1OC ZINC000263955115 1434053064 /nfs/dbraw/zinc/05/30/64/1434053064.db2.gz LKPWRZRMLLIBST-UHFFFAOYSA-N -1 3 397.522 3.491 20 0 GGADHM CC(C)c1nnc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000263973022 1434055760 /nfs/dbraw/zinc/05/57/60/1434055760.db2.gz WEBCOQBENOTUIJ-UHFFFAOYSA-N -1 3 378.860 3.403 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000264163418 1434077231 /nfs/dbraw/zinc/07/72/31/1434077231.db2.gz IUONRQNDCMPBLG-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000264163418 1434077234 /nfs/dbraw/zinc/07/72/34/1434077234.db2.gz IUONRQNDCMPBLG-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccn1 ZINC000264180409 1434078874 /nfs/dbraw/zinc/07/88/74/1434078874.db2.gz AZKICFZIULWHDD-UHFFFAOYSA-N -1 3 387.383 3.043 20 0 GGADHM CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)n[nH]1 ZINC000264205331 1434081810 /nfs/dbraw/zinc/08/18/10/1434081810.db2.gz FCTXXKQUPVFRAX-UHFFFAOYSA-N -1 3 390.387 3.176 20 0 GGADHM CCN(CCOC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000264302389 1434094828 /nfs/dbraw/zinc/09/48/28/1434094828.db2.gz SDIMSFYHCHSPND-UHFFFAOYSA-N -1 3 394.468 3.043 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000264353004 1434100818 /nfs/dbraw/zinc/10/08/18/1434100818.db2.gz DFEXAFGXVRTJOO-CQSZACIVSA-N -1 3 376.478 3.274 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000264357452 1434101841 /nfs/dbraw/zinc/10/18/41/1434101841.db2.gz AAGXXUGIZOXRJV-MRXNPFEDSA-N -1 3 392.434 3.250 20 0 GGADHM COc1cccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1[O-] ZINC000264855036 1434159828 /nfs/dbraw/zinc/15/98/28/1434159828.db2.gz LRKNXYHFADYSJM-UHFFFAOYSA-N -1 3 377.462 3.366 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)OC)c2)c(C)c1C ZINC000265301803 1434214578 /nfs/dbraw/zinc/21/45/78/1434214578.db2.gz PJGGKWDJHQKZPF-AWEZNQCLSA-N -1 3 392.477 3.086 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@H]2C(C)C)cc1OC ZINC000265349265 1434222727 /nfs/dbraw/zinc/22/27/27/1434222727.db2.gz QHCGKTUFWZWRQN-INIZCTEOSA-N -1 3 383.514 3.499 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1OC ZINC000265446479 1434235401 /nfs/dbraw/zinc/23/54/01/1434235401.db2.gz YEVKTGRWOVGILI-AWEZNQCLSA-N -1 3 392.502 3.285 20 0 GGADHM COc1cc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000265731477 1434260992 /nfs/dbraw/zinc/26/09/92/1434260992.db2.gz KOBPEGSCKGULFB-NSHDSACASA-N -1 3 378.400 3.118 20 0 GGADHM C[C@@H](C=C(O)c1ccccc1F)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000266215928 1434311017 /nfs/dbraw/zinc/31/10/17/1434311017.db2.gz AKOPZWDGDFHTSM-NSHDSACASA-N -1 3 387.436 3.404 20 0 GGADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000266271070 1434315280 /nfs/dbraw/zinc/31/52/80/1434315280.db2.gz GMVYKJVFKUTEGB-ZDUSSCGKSA-N -1 3 399.472 3.273 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CCSC1 ZINC000266295565 1434317333 /nfs/dbraw/zinc/31/73/33/1434317333.db2.gz BUUAHRCVZXYRTA-ZDUSSCGKSA-N -1 3 394.493 3.170 20 0 GGADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C)ccc2C)n1 ZINC000266361345 1434324991 /nfs/dbraw/zinc/32/49/91/1434324991.db2.gz ZGMTYDPHBXGABN-CQSZACIVSA-N -1 3 387.461 3.402 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)cc1C ZINC000266535915 1434347373 /nfs/dbraw/zinc/34/73/73/1434347373.db2.gz GCNVCPABDKLDRS-UHFFFAOYSA-N -1 3 390.461 3.378 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)cc1 ZINC000266534675 1434347411 /nfs/dbraw/zinc/34/74/11/1434347411.db2.gz FXLJNEDYIGLYSG-UHFFFAOYSA-N -1 3 376.434 3.151 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1OC ZINC000266573196 1434350711 /nfs/dbraw/zinc/35/07/11/1434350711.db2.gz YFEQBAXUQGYZQQ-XJKSGUPXSA-N -1 3 381.498 3.253 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)cc1C ZINC000266579807 1434351296 /nfs/dbraw/zinc/35/12/96/1434351296.db2.gz MMGFQVARVJCDPG-UHFFFAOYSA-N -1 3 390.461 3.378 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)cc1C ZINC000266597437 1434352909 /nfs/dbraw/zinc/35/29/09/1434352909.db2.gz OXKWAVWEWJGJSU-UHFFFAOYSA-N -1 3 390.461 3.378 20 0 GGADHM COc1ccc2sc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)c(C)c2c1 ZINC000266637645 1434357371 /nfs/dbraw/zinc/35/73/71/1434357371.db2.gz WJIGEGHWQGQBLT-UHFFFAOYSA-N -1 3 387.461 3.118 20 0 GGADHM CCOC(=O)[C@@H](NCc1cc(=O)oc2cc([O-])c(CC)cc12)c1cccc(O)c1 ZINC000266871626 1434383785 /nfs/dbraw/zinc/38/37/85/1434383785.db2.gz QLEZZZKZOQDTGG-NRFANRHFSA-N -1 3 397.427 3.161 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000266944786 1434391173 /nfs/dbraw/zinc/39/11/73/1434391173.db2.gz SHYKHTSYCSOODS-UHFFFAOYSA-N -1 3 377.444 3.314 20 0 GGADHM CCOC(=O)N(C)c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000266959565 1434393321 /nfs/dbraw/zinc/39/33/21/1434393321.db2.gz HJPRRTQIKUQVTB-UHFFFAOYSA-N -1 3 376.438 3.058 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000266977481 1434394913 /nfs/dbraw/zinc/39/49/13/1434394913.db2.gz DOIUWGXVNHKVAH-UHFFFAOYSA-N -1 3 391.493 3.406 20 0 GGADHM CCCNC(=O)c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1Cl ZINC000266979616 1434395168 /nfs/dbraw/zinc/39/51/68/1434395168.db2.gz PIHQCDQGLXNBPI-UHFFFAOYSA-N -1 3 394.884 3.258 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCc2csc(C)n2)cc1OC ZINC000267388629 1434428556 /nfs/dbraw/zinc/42/85/56/1434428556.db2.gz UPQJCNFPCMIUGH-UHFFFAOYSA-N -1 3 397.522 3.183 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c(C)o1 ZINC000267611710 1434449775 /nfs/dbraw/zinc/44/97/75/1434449775.db2.gz SAOAKVAMRCFIPA-UHFFFAOYSA-N -1 3 391.493 3.129 20 0 GGADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@@H](C)[C@H](C)C3)c2)c1 ZINC000267699520 1434456487 /nfs/dbraw/zinc/45/64/87/1434456487.db2.gz AFCRXUNWXIVDEM-ZIAGYGMSSA-N -1 3 398.459 3.390 20 0 GGADHM CN(C)C(=O)Sc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000267934604 1434478556 /nfs/dbraw/zinc/47/85/56/1434478556.db2.gz MQMDXSOXUHRVRP-UHFFFAOYSA-N -1 3 399.516 3.124 20 0 GGADHM CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N(CC)CC ZINC000267944318 1434479590 /nfs/dbraw/zinc/47/95/90/1434479590.db2.gz APSGGPLUVGMAQC-HNNXBMFYSA-N -1 3 396.538 3.003 20 0 GGADHM CC[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000268196205 1434501093 /nfs/dbraw/zinc/50/10/93/1434501093.db2.gz FPLBYSKGLDJNHC-RHSMWYFYSA-N -1 3 380.872 3.180 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000268287513 1434508719 /nfs/dbraw/zinc/50/87/19/1434508719.db2.gz QZXCFGOLOBXILE-HIFRSBDPSA-N -1 3 395.475 3.366 20 0 GGADHM Cc1cc(-c2noc([C@@H](C)NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)ccc1F ZINC000268534835 1434530981 /nfs/dbraw/zinc/53/09/81/1434530981.db2.gz JMLLETXNIZMDPD-GFCCVEGCSA-N -1 3 399.426 3.107 20 0 GGADHM CCOCCC1(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1 ZINC000268590967 1434537604 /nfs/dbraw/zinc/53/76/04/1434537604.db2.gz HIVUHUUOJCCGNC-UHFFFAOYSA-N -1 3 398.525 3.382 20 0 GGADHM CCCCN(Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1)C1CC1 ZINC000269454438 1434648313 /nfs/dbraw/zinc/64/83/13/1434648313.db2.gz GRRZGMOYNBCDQQ-UHFFFAOYSA-N -1 3 393.509 3.273 20 0 GGADHM CSc1nc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n[n-]1 ZINC000269471234 1434650644 /nfs/dbraw/zinc/65/06/44/1434650644.db2.gz SXAPAACHHPXCLF-LBPRGKRZSA-N -1 3 377.470 3.121 20 0 GGADHM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000269547623 1434658390 /nfs/dbraw/zinc/65/83/90/1434658390.db2.gz RSJILACLZATTIU-OAHLLOKOSA-N -1 3 386.452 3.130 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)cc1OC ZINC000269811159 1434677623 /nfs/dbraw/zinc/67/76/23/1434677623.db2.gz UUGIEOIYMZFFKV-KGLIPLIRSA-N -1 3 383.514 3.357 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000269966350 1434690915 /nfs/dbraw/zinc/69/09/15/1434690915.db2.gz UOOJELZVECVRKC-AWEZNQCLSA-N -1 3 387.407 3.284 20 0 GGADHM COc1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000269982888 1434691566 /nfs/dbraw/zinc/69/15/66/1434691566.db2.gz ZDCIEBFDRJDURU-UHFFFAOYSA-N -1 3 385.338 3.281 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000270036476 1434695332 /nfs/dbraw/zinc/69/53/32/1434695332.db2.gz JBOWREAQEYAJKV-SFHVURJKSA-N -1 3 378.432 3.215 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2c(C)noc2C)cc1OC ZINC000270067017 1434698974 /nfs/dbraw/zinc/69/89/74/1434698974.db2.gz YHIAGIOWKKGUBF-NSHDSACASA-N -1 3 395.481 3.194 20 0 GGADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1CCO[C@@H]1CCCCO1 ZINC000270362193 1434726734 /nfs/dbraw/zinc/72/67/34/1434726734.db2.gz JITIOAGKMHSXSH-QGZVFWFLSA-N -1 3 379.844 3.346 20 0 GGADHM C[C@@H](Sc1ncccc1C(=O)Nc1cc(F)ccc1[O-])C(=O)N1CCCC1 ZINC000270393106 1434729622 /nfs/dbraw/zinc/72/96/22/1434729622.db2.gz STVOXMNZVGAYJM-GFCCVEGCSA-N -1 3 389.452 3.282 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000270507538 1434739839 /nfs/dbraw/zinc/73/98/39/1434739839.db2.gz RDVPSDLEYUZJBW-UHFFFAOYSA-N -1 3 392.381 3.206 20 0 GGADHM CC(C)OCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000270711450 1434765321 /nfs/dbraw/zinc/76/53/21/1434765321.db2.gz LFNGKMFFBGXKGB-UHFFFAOYSA-N -1 3 397.475 3.307 20 0 GGADHM COc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc(OC)c1[O-] ZINC000270714750 1434765742 /nfs/dbraw/zinc/76/57/42/1434765742.db2.gz DFEAHSIQHBCKRW-UHFFFAOYSA-N -1 3 399.369 3.055 20 0 GGADHM CCOc1cccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1OC(F)F ZINC000270727700 1434767315 /nfs/dbraw/zinc/76/73/15/1434767315.db2.gz FTHYBBFKCIUSCA-UHFFFAOYSA-N -1 3 397.374 3.340 20 0 GGADHM COc1cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc(OC)c1[O-] ZINC000270732300 1434767972 /nfs/dbraw/zinc/76/79/72/1434767972.db2.gz NTHAEZSZDJYNPA-UHFFFAOYSA-N -1 3 385.460 3.478 20 0 GGADHM COC(=O)CCCN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270930835 1434788909 /nfs/dbraw/zinc/78/89/09/1434788909.db2.gz XXNUXIBHRIDZRE-UHFFFAOYSA-N -1 3 387.432 3.005 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000270936521 1434789214 /nfs/dbraw/zinc/78/92/14/1434789214.db2.gz MNLOLSCEFMWUNS-ZDUSSCGKSA-N -1 3 389.448 3.035 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000270963984 1434791580 /nfs/dbraw/zinc/79/15/80/1434791580.db2.gz HCZWFAYHZOANQR-IAGOWNOFSA-N -1 3 389.423 3.277 20 0 GGADHM COc1cc(C)c([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000270973618 1434792520 /nfs/dbraw/zinc/79/25/20/1434792520.db2.gz HSUVRCQLPQAOBE-GFCCVEGCSA-N -1 3 375.421 3.226 20 0 GGADHM COc1cc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000271043888 1434798040 /nfs/dbraw/zinc/79/80/40/1434798040.db2.gz RLZWBRSSGUQANC-CYBMUJFWSA-N -1 3 377.824 3.356 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000271110670 1434802633 /nfs/dbraw/zinc/80/26/33/1434802633.db2.gz IVSCAMYJZWKRHF-SJLPKXTDSA-N -1 3 398.507 3.195 20 0 GGADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271220786 1434809129 /nfs/dbraw/zinc/80/91/29/1434809129.db2.gz CRKZFWUDDUJDSG-CQSZACIVSA-N -1 3 377.462 3.080 20 0 GGADHM C[C@H]([C@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-])S(C)(=O)=O ZINC000271262007 1434811574 /nfs/dbraw/zinc/81/15/74/1434811574.db2.gz KVBHZVXQBFQPRG-UONOGXRCSA-N -1 3 377.462 3.078 20 0 GGADHM CS[C@@H]1CCC[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000271270018 1434812128 /nfs/dbraw/zinc/81/21/28/1434812128.db2.gz LMFMWGQYVGMQNN-GXTWGEPZSA-N -1 3 389.477 3.345 20 0 GGADHM CN(CCC1CCN(C(=O)c2c([O-])cccc2O)CC1)C(=O)OC(C)(C)C ZINC000271279290 1434812839 /nfs/dbraw/zinc/81/28/39/1434812839.db2.gz LPHYKTQZADOJLD-UHFFFAOYSA-N -1 3 378.469 3.207 20 0 GGADHM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000271292592 1434813652 /nfs/dbraw/zinc/81/36/52/1434813652.db2.gz GBPKMRFFSIXNCJ-UHFFFAOYSA-N -1 3 399.472 3.125 20 0 GGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271298836 1434814260 /nfs/dbraw/zinc/81/42/60/1434814260.db2.gz RVXSGSRIBNXHQP-WBVHZDCISA-N -1 3 389.477 3.345 20 0 GGADHM Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1NC(=O)CN1CCCCC1 ZINC000271352049 1434818369 /nfs/dbraw/zinc/81/83/69/1434818369.db2.gz PVTAAKCCXXAMGN-UHFFFAOYSA-N -1 3 383.448 3.083 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)C2(OCc3ccccc3)CCOCC2)c([O-])c1 ZINC000271574637 1434836188 /nfs/dbraw/zinc/83/61/88/1434836188.db2.gz RLADAIHRMZQPIS-UHFFFAOYSA-N -1 3 399.443 3.273 20 0 GGADHM COc1cc([C@H](C)NCc2cc(=O)oc3cc([O-])ccc23)cc(OC)c1OC ZINC000271622024 1434839633 /nfs/dbraw/zinc/83/96/33/1434839633.db2.gz AELIIEBFNDGNED-LBPRGKRZSA-N -1 3 385.416 3.375 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3cccc(OC)c3)nc(=O)c2c1C ZINC000271720216 1434846063 /nfs/dbraw/zinc/84/60/63/1434846063.db2.gz WNZLBLSXCIAPDC-LLVKDONJSA-N -1 3 387.461 3.351 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000271736256 1434847136 /nfs/dbraw/zinc/84/71/36/1434847136.db2.gz VEABAEZGOJPBLC-UHFFFAOYSA-N -1 3 394.566 3.122 20 0 GGADHM C[C@@H]1CCc2c(sc3[nH]c(CCC(=O)[N-]OC4CCCC4)nc(=O)c23)C1 ZINC000271770829 1434849273 /nfs/dbraw/zinc/84/92/73/1434849273.db2.gz NTCSCIWHYFJPTF-LLVKDONJSA-N -1 3 375.494 3.445 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc(OC)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000272053450 1434869074 /nfs/dbraw/zinc/86/90/74/1434869074.db2.gz HUYFLOQYPDHWRK-LBPRGKRZSA-N -1 3 380.466 3.257 20 0 GGADHM CSc1ccc(C)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000272089199 1434871502 /nfs/dbraw/zinc/87/15/02/1434871502.db2.gz MVIFPLONYOAHAO-UHFFFAOYSA-N -1 3 385.489 3.412 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000272108965 1434872766 /nfs/dbraw/zinc/87/27/66/1434872766.db2.gz NAANCDZIDRJPSP-KDOFPFPSSA-N -1 3 377.824 3.323 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000272192762 1434877159 /nfs/dbraw/zinc/87/71/59/1434877159.db2.gz VXDYLEOMLQDTET-MRXNPFEDSA-N -1 3 381.398 3.412 20 0 GGADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnc1N1CCCC[C@H]1C ZINC000272506698 1434901700 /nfs/dbraw/zinc/90/17/00/1434901700.db2.gz HECVVPWQBPOLPV-CQSZACIVSA-N -1 3 383.496 3.453 20 0 GGADHM C[C@@H]1C[C@H](CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000272525482 1434904351 /nfs/dbraw/zinc/90/43/51/1434904351.db2.gz IJMDDCNYTARKRF-CBGDNZLLSA-N -1 3 396.487 3.185 20 0 GGADHM CCC[C@@H](CCO)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272657438 1434920167 /nfs/dbraw/zinc/92/01/67/1434920167.db2.gz GKMQPALNDKLMCE-LAUBAEHRSA-N -1 3 398.503 3.168 20 0 GGADHM Cc1c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cnn1C1CCCCC1 ZINC000272697413 1434923795 /nfs/dbraw/zinc/92/37/95/1434923795.db2.gz IGTLYTHWRQYAEV-UHFFFAOYSA-N -1 3 396.491 3.001 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCO[C@@H]2CCC[C@H]21 ZINC000272699072 1434923899 /nfs/dbraw/zinc/92/38/99/1434923899.db2.gz SVIPQNCLNVSYIE-NJDAHSKKSA-N -1 3 394.471 3.033 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000272750406 1434928146 /nfs/dbraw/zinc/92/81/46/1434928146.db2.gz OCCHNQWGTDWHST-WMLDXEAASA-N -1 3 398.525 3.237 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1OC ZINC000272754776 1434928334 /nfs/dbraw/zinc/92/83/34/1434928334.db2.gz NIOZNEHSEHKSMF-LXZKKBNFSA-N -1 3 395.525 3.499 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OC ZINC000272754780 1434928416 /nfs/dbraw/zinc/92/84/16/1434928416.db2.gz NIOZNEHSEHKSMF-QRTARXTBSA-N -1 3 395.525 3.499 20 0 GGADHM COc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C(F)(F)F)cc1 ZINC000272857991 1434936480 /nfs/dbraw/zinc/93/64/80/1434936480.db2.gz UBPZUVSNRHVXSB-INIZCTEOSA-N -1 3 385.338 3.451 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)c(C)c1F ZINC000272861510 1434936893 /nfs/dbraw/zinc/93/68/93/1434936893.db2.gz SIOKMSOXLCXBTL-UHFFFAOYSA-N -1 3 394.424 3.209 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3Cc4ccccc4OC[C@H]3C)nc(=O)c2c1C ZINC000272960791 1434944503 /nfs/dbraw/zinc/94/45/03/1434944503.db2.gz NOYJOXZFPRLNIB-LLVKDONJSA-N -1 3 399.472 3.275 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000273250431 1434975658 /nfs/dbraw/zinc/97/56/58/1434975658.db2.gz DDCFPUIIIDMCQF-HKUYNNGSSA-N -1 3 387.455 3.249 20 0 GGADHM CC(C)c1c(C(=O)N2CCc3c(=O)[n-]cnc3C2)cnn1-c1ccc(Cl)cc1 ZINC000273282433 1434977986 /nfs/dbraw/zinc/97/79/86/1434977986.db2.gz TUWOKJBZDBLEKQ-UHFFFAOYSA-N -1 3 397.866 3.343 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000273313246 1434979979 /nfs/dbraw/zinc/97/99/79/1434979979.db2.gz IKVRUVGJVMBBDA-UHFFFAOYSA-N -1 3 395.337 3.276 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ncc(C(C)(C)C)o2)c1 ZINC000273413090 1434987317 /nfs/dbraw/zinc/98/73/17/1434987317.db2.gz LGZDFXFZHPZAFH-UHFFFAOYSA-N -1 3 398.419 3.156 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000273532366 1434995065 /nfs/dbraw/zinc/99/50/65/1434995065.db2.gz QXVRZMBRRYUXBE-BLLLJJGKSA-N -1 3 389.370 3.442 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000273890888 1435025694 /nfs/dbraw/zinc/02/56/94/1435025694.db2.gz BCVGGYCFYQHNFE-HNNXBMFYSA-N -1 3 389.374 3.122 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000273890888 1435025695 /nfs/dbraw/zinc/02/56/95/1435025695.db2.gz BCVGGYCFYQHNFE-HNNXBMFYSA-N -1 3 389.374 3.122 20 0 GGADHM CC(C)OCCCc1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000274003919 1435036213 /nfs/dbraw/zinc/03/62/13/1435036213.db2.gz XBTFWNOVAVZBKJ-UHFFFAOYSA-N -1 3 399.488 3.310 20 0 GGADHM O=C(COc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1)Nc1ccccc1 ZINC000274164605 1435047951 /nfs/dbraw/zinc/04/79/51/1435047951.db2.gz HTGTXGWWWUURRK-LJQANCHMSA-N -1 3 385.420 3.284 20 0 GGADHM O=C(COc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1)Nc1ccccc1 ZINC000274164605 1435047953 /nfs/dbraw/zinc/04/79/53/1435047953.db2.gz HTGTXGWWWUURRK-LJQANCHMSA-N -1 3 385.420 3.284 20 0 GGADHM CSCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000274167816 1435048486 /nfs/dbraw/zinc/04/84/86/1435048486.db2.gz HZNSDQPQSMUEFX-UHFFFAOYSA-N -1 3 385.489 3.245 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000274367584 1435065478 /nfs/dbraw/zinc/06/54/78/1435065478.db2.gz PATIHYQTEOEGHS-ROUUACIJSA-N -1 3 398.507 3.194 20 0 GGADHM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@@H](c1ccccc1)N(C)C ZINC000274617822 1435081251 /nfs/dbraw/zinc/08/12/51/1435081251.db2.gz YURQZIQMCVZYBM-PXAZEXFGSA-N -1 3 382.489 3.045 20 0 GGADHM CC(C)(C)OC(=O)NCCOc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274857134 1435098317 /nfs/dbraw/zinc/09/83/17/1435098317.db2.gz HCCQPTOPYVKYCG-INIZCTEOSA-N -1 3 395.456 3.170 20 0 GGADHM CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000274857134 1435098320 /nfs/dbraw/zinc/09/83/20/1435098320.db2.gz HCCQPTOPYVKYCG-INIZCTEOSA-N -1 3 395.456 3.170 20 0 GGADHM CC(C)(C)OC(=O)NCCOc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274857137 1435098368 /nfs/dbraw/zinc/09/83/68/1435098368.db2.gz HCCQPTOPYVKYCG-MRXNPFEDSA-N -1 3 395.456 3.170 20 0 GGADHM CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000274857137 1435098372 /nfs/dbraw/zinc/09/83/72/1435098372.db2.gz HCCQPTOPYVKYCG-MRXNPFEDSA-N -1 3 395.456 3.170 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC([O-])=NO[C@H]2CCCCO2)C1 ZINC000274910580 1435102989 /nfs/dbraw/zinc/10/29/89/1435102989.db2.gz NCHFBAYAASPULB-DAYGRLMNSA-N -1 3 375.469 3.384 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000274910580 1435102990 /nfs/dbraw/zinc/10/29/90/1435102990.db2.gz NCHFBAYAASPULB-DAYGRLMNSA-N -1 3 375.469 3.384 20 0 GGADHM CCN(c1ccc(NC(=O)CSc2ncc(C(=O)OC)[n-]2)cc1)C(C)C ZINC000274929386 1435104026 /nfs/dbraw/zinc/10/40/26/1435104026.db2.gz OQXOCMZUDUKKCJ-UHFFFAOYSA-N -1 3 376.482 3.162 20 0 GGADHM COc1cc(-c2nc([C@H](C)CN(C)C(=O)OC(C)(C)C)no2)cc(OC)c1[O-] ZINC000275188034 1435121329 /nfs/dbraw/zinc/12/13/29/1435121329.db2.gz XLQXGYAUNYMDLX-LLVKDONJSA-N -1 3 393.440 3.430 20 0 GGADHM O=C([N-]OCCC(F)(F)F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000275204837 1435122886 /nfs/dbraw/zinc/12/28/86/1435122886.db2.gz IRMBUDWVFFWEIT-CQSZACIVSA-N -1 3 384.320 3.441 20 0 GGADHM CCOC(C)(C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000275788665 1435169576 /nfs/dbraw/zinc/16/95/76/1435169576.db2.gz NYWUKLTVYDVEAO-UHFFFAOYSA-N -1 3 397.903 3.221 20 0 GGADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c([O-])c1 ZINC000276058019 1435188265 /nfs/dbraw/zinc/18/82/65/1435188265.db2.gz CFOMENUDQGTXQD-UHFFFAOYSA-N -1 3 396.443 3.174 20 0 GGADHM CCCOc1ccc(C(=O)CCC(=O)[N-]OC[C@H]2CCOC2)cc1OCCC ZINC000276257025 1435200425 /nfs/dbraw/zinc/20/04/25/1435200425.db2.gz IDNUQEKLMUWYPL-INIZCTEOSA-N -1 3 393.480 3.311 20 0 GGADHM COCCc1ccccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000276335309 1435205554 /nfs/dbraw/zinc/20/55/54/1435205554.db2.gz DWDVMLDADKHDOO-UHFFFAOYSA-N -1 3 392.459 3.313 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000276768851 1435231011 /nfs/dbraw/zinc/23/10/11/1435231011.db2.gz AXWSXIRYDLCLFN-UHFFFAOYSA-N -1 3 382.489 3.178 20 0 GGADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc(OC)cc2[O-])n1 ZINC000276908244 1435242053 /nfs/dbraw/zinc/24/20/53/1435242053.db2.gz UHALBWCPQITFNZ-CQSZACIVSA-N -1 3 376.434 3.011 20 0 GGADHM COc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c([O-])c1 ZINC000276978629 1435249090 /nfs/dbraw/zinc/24/90/90/1435249090.db2.gz RBCYTLYEVPFXTF-MRXNPFEDSA-N -1 3 387.436 3.045 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000277057810 1435257350 /nfs/dbraw/zinc/25/73/50/1435257350.db2.gz PUQXRGZLCKNSIS-UHFFFAOYSA-N -1 3 377.441 3.290 20 0 GGADHM COc1cccc(CN[C@@H](CSCc2cccc3cccnc32)C(=O)[O-])n1 ZINC000277169283 1435272307 /nfs/dbraw/zinc/27/23/07/1435272307.db2.gz DPWUOVFKMWTVFG-KRWDZBQOSA-N -1 3 383.473 3.115 20 0 GGADHM Cc1ccc(OCc2nc(CN[C@H](CN3CCCCC3)C(=O)[O-])cs2)cc1 ZINC000277227159 1435281591 /nfs/dbraw/zinc/28/15/91/1435281591.db2.gz IHBSPXDBDMNCEB-GOSISDBHSA-N -1 3 389.521 3.059 20 0 GGADHM Cc1ccc(OCc2nc(CN[C@@H](CN3CCCCC3)C(=O)[O-])cs2)cc1 ZINC000277227167 1435281733 /nfs/dbraw/zinc/28/17/33/1435281733.db2.gz IHBSPXDBDMNCEB-SFHVURJKSA-N -1 3 389.521 3.059 20 0 GGADHM COCCOc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000277406332 1435302489 /nfs/dbraw/zinc/30/24/89/1435302489.db2.gz SDVQXCPPZRYANC-GOSISDBHSA-N -1 3 389.448 3.035 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)[n-]1 ZINC000277578571 1435314096 /nfs/dbraw/zinc/31/40/96/1435314096.db2.gz CARGHUFLKBNTGB-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)n[n-]1 ZINC000277578571 1435314097 /nfs/dbraw/zinc/31/40/97/1435314097.db2.gz CARGHUFLKBNTGB-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000277584414 1435314458 /nfs/dbraw/zinc/31/44/58/1435314458.db2.gz CPTWDYSCEMPBKK-UHFFFAOYSA-N -1 3 396.369 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n[n-]1 ZINC000277584414 1435314461 /nfs/dbraw/zinc/31/44/61/1435314461.db2.gz CPTWDYSCEMPBKK-UHFFFAOYSA-N -1 3 396.369 3.020 20 0 GGADHM CCC[C@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277587568 1435314716 /nfs/dbraw/zinc/31/47/16/1435314716.db2.gz CXVDPABUMZGAKS-KRWDZBQOSA-N -1 3 384.480 3.271 20 0 GGADHM CCC[C@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277587568 1435314719 /nfs/dbraw/zinc/31/47/19/1435314719.db2.gz CXVDPABUMZGAKS-KRWDZBQOSA-N -1 3 384.480 3.271 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)[n-]1 ZINC000277587718 1435314782 /nfs/dbraw/zinc/31/47/82/1435314782.db2.gz CYSQZACZONSTSF-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n[n-]1 ZINC000277587718 1435314785 /nfs/dbraw/zinc/31/47/85/1435314785.db2.gz CYSQZACZONSTSF-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C(C)(C)c3ccc(CC)cc3)CC2)[n-]1 ZINC000277590605 1435314882 /nfs/dbraw/zinc/31/48/82/1435314882.db2.gz DEYOPEXLLOVBNW-UHFFFAOYSA-N -1 3 398.507 3.228 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C(C)(C)c3ccc(CC)cc3)CC2)n[n-]1 ZINC000277590605 1435314884 /nfs/dbraw/zinc/31/48/84/1435314884.db2.gz DEYOPEXLLOVBNW-UHFFFAOYSA-N -1 3 398.507 3.228 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(c4ccccc4C)CCC3)CC2)[n-]1 ZINC000277680140 1435321345 /nfs/dbraw/zinc/32/13/45/1435321345.db2.gz KMIXGINWKAQFIB-UHFFFAOYSA-N -1 3 396.491 3.118 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C3(c4ccccc4C)CCC3)CC2)n[n-]1 ZINC000277680140 1435321348 /nfs/dbraw/zinc/32/13/48/1435321348.db2.gz KMIXGINWKAQFIB-UHFFFAOYSA-N -1 3 396.491 3.118 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(Cc4ccccc4)CCC3)CC2)[n-]1 ZINC000277706111 1435323316 /nfs/dbraw/zinc/32/33/16/1435323316.db2.gz MIXQQTYRMKYLKO-UHFFFAOYSA-N -1 3 396.491 3.100 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C3(Cc4ccccc4)CCC3)CC2)n[n-]1 ZINC000277706111 1435323320 /nfs/dbraw/zinc/32/33/20/1435323320.db2.gz MIXQQTYRMKYLKO-UHFFFAOYSA-N -1 3 396.491 3.100 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](C)c3ccc(CC)cc3)CC2)[n-]1 ZINC000277734119 1435325627 /nfs/dbraw/zinc/32/56/27/1435325627.db2.gz HMVSWADEVUSDHN-AWEZNQCLSA-N -1 3 399.495 3.194 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](C)c3ccc(CC)cc3)CC2)n[n-]1 ZINC000277734119 1435325629 /nfs/dbraw/zinc/32/56/29/1435325629.db2.gz HMVSWADEVUSDHN-AWEZNQCLSA-N -1 3 399.495 3.194 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)[n-]1 ZINC000277753481 1435327166 /nfs/dbraw/zinc/32/71/66/1435327166.db2.gz PSBKCPWMZQUEKK-LBPRGKRZSA-N -1 3 390.871 3.145 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)n[n-]1 ZINC000277753481 1435327168 /nfs/dbraw/zinc/32/71/68/1435327168.db2.gz PSBKCPWMZQUEKK-LBPRGKRZSA-N -1 3 390.871 3.145 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[n-]1 ZINC000277799937 1435331466 /nfs/dbraw/zinc/33/14/66/1435331466.db2.gz HWZROFXUKQXADZ-UHFFFAOYSA-N -1 3 377.832 3.046 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n[n-]1 ZINC000277799937 1435331467 /nfs/dbraw/zinc/33/14/67/1435331467.db2.gz HWZROFXUKQXADZ-UHFFFAOYSA-N -1 3 377.832 3.046 20 0 GGADHM CC[C@H](C)Sc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)c(C(F)(F)F)c1 ZINC000277824854 1435334044 /nfs/dbraw/zinc/33/40/44/1435334044.db2.gz YOCKVPBNFAIAHF-QMMMGPOBSA-N -1 3 390.387 3.184 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)[n-]1 ZINC000277834016 1435334538 /nfs/dbraw/zinc/33/45/38/1435334538.db2.gz RKCWESKKAWWYFF-QGZVFWFLSA-N -1 3 397.479 3.022 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)n[n-]1 ZINC000277834016 1435334541 /nfs/dbraw/zinc/33/45/41/1435334541.db2.gz RKCWESKKAWWYFF-QGZVFWFLSA-N -1 3 397.479 3.022 20 0 GGADHM Cc1nc(CN2CCC(CNC(=O)c3cc([O-])ccc3Cl)CC2)oc1C ZINC000277857296 1435336731 /nfs/dbraw/zinc/33/67/31/1435336731.db2.gz ZBANTEDPRNXGMA-UHFFFAOYSA-N -1 3 377.872 3.292 20 0 GGADHM CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000277876505 1435338359 /nfs/dbraw/zinc/33/83/59/1435338359.db2.gz YYGDUGCAQWZECA-GOSISDBHSA-N -1 3 387.501 3.022 20 0 GGADHM CCC[C@@]1(COC)CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000277966050 1435346366 /nfs/dbraw/zinc/34/63/66/1435346366.db2.gz ABPWRBCPFBNSRL-QFIPXVFZSA-N -1 3 398.507 3.293 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)[n-]1 ZINC000278092646 1435358449 /nfs/dbraw/zinc/35/84/49/1435358449.db2.gz IJFKIBXFNDAZFV-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)n[n-]1 ZINC000278092646 1435358452 /nfs/dbraw/zinc/35/84/52/1435358452.db2.gz IJFKIBXFNDAZFV-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(F)(F)F ZINC000278096544 1435358828 /nfs/dbraw/zinc/35/88/28/1435358828.db2.gz JZFCZWIXOFAPKJ-BMIGLBTASA-N -1 3 382.386 3.188 20 0 GGADHM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(F)(F)F ZINC000278096548 1435358908 /nfs/dbraw/zinc/35/89/08/1435358908.db2.gz JZFCZWIXOFAPKJ-MEBBXXQBSA-N -1 3 382.386 3.188 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2cc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)ccc21 ZINC000278121354 1435361890 /nfs/dbraw/zinc/36/18/90/1435361890.db2.gz MCWUKNCPMYBJLF-GFCCVEGCSA-N -1 3 399.369 3.361 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](C)[C@H](C)c3ccccc3)CC2)[n-]1 ZINC000278174250 1435366343 /nfs/dbraw/zinc/36/63/43/1435366343.db2.gz ZDOJKGRANJAHKJ-LSDHHAIUSA-N -1 3 399.495 3.063 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](C)[C@H](C)c3ccccc3)CC2)n[n-]1 ZINC000278174250 1435366347 /nfs/dbraw/zinc/36/63/47/1435366347.db2.gz ZDOJKGRANJAHKJ-LSDHHAIUSA-N -1 3 399.495 3.063 20 0 GGADHM CCCS(=O)(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000278196869 1435368513 /nfs/dbraw/zinc/36/85/13/1435368513.db2.gz PJVJUOBLISIKJX-UHFFFAOYSA-N -1 3 388.445 3.346 20 0 GGADHM COc1cc(C)cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000278363853 1435383996 /nfs/dbraw/zinc/38/39/96/1435383996.db2.gz BHUIEAPMLFCGBM-UHFFFAOYSA-N -1 3 383.448 3.008 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1C ZINC000278561249 1435400004 /nfs/dbraw/zinc/40/00/04/1435400004.db2.gz BOHKILUUIICHLF-UHFFFAOYSA-N -1 3 377.466 3.254 20 0 GGADHM C[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000278636485 1435408320 /nfs/dbraw/zinc/40/83/20/1435408320.db2.gz MPZZUENEPQQDFV-GXTWGEPZSA-N -1 3 381.448 3.119 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1C ZINC000278718013 1435416724 /nfs/dbraw/zinc/41/67/24/1435416724.db2.gz OPVBRDZTTSEXHT-UHFFFAOYSA-N -1 3 377.466 3.336 20 0 GGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000278809706 1435425681 /nfs/dbraw/zinc/42/56/81/1435425681.db2.gz OKFHHEZCKVDITK-NSHDSACASA-N -1 3 383.404 3.202 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC[C@@H]2CCSC2)CC1 ZINC000279297773 1435483302 /nfs/dbraw/zinc/48/33/02/1435483302.db2.gz NANCGOATJXZAFB-LBPRGKRZSA-N -1 3 397.928 3.159 20 0 GGADHM Cc1ccc(F)cc1-c1nnc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)s1 ZINC000279346757 1435489334 /nfs/dbraw/zinc/48/93/34/1435489334.db2.gz FWYSOKDGMAPHTA-UHFFFAOYSA-N -1 3 387.440 3.336 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc([C@H]4CCCOC4)nn3C)c[n-]c12 ZINC000279411482 1435496621 /nfs/dbraw/zinc/49/66/21/1435496621.db2.gz SKCCWGBXRRQGBV-LBPRGKRZSA-N -1 3 384.411 3.268 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@H]1CCCN1C1CC1 ZINC000279481551 1435504077 /nfs/dbraw/zinc/50/40/77/1435504077.db2.gz KWDCYCIEJPCYPJ-IBGZPJMESA-N -1 3 385.489 3.053 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1NC(=O)N(C)C ZINC000279819761 1435547128 /nfs/dbraw/zinc/54/71/28/1435547128.db2.gz CILMNFUKRXNHJX-CYBMUJFWSA-N -1 3 389.477 3.213 20 0 GGADHM CC(C)n1ncnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000279877464 1435556768 /nfs/dbraw/zinc/55/67/68/1435556768.db2.gz CLHXJVWUJHTAMU-UHFFFAOYSA-N -1 3 377.876 3.069 20 0 GGADHM CSc1nc(C)c(CCC(=O)Nc2ccc(CN(C)C)c(Cl)c2)c(=O)[n-]1 ZINC000280366860 1435645044 /nfs/dbraw/zinc/64/50/44/1435645044.db2.gz XYTZBUVXONJFJC-UHFFFAOYSA-N -1 3 394.928 3.499 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC[C@H](C(=O)OC)CC3)c2)n1 ZINC000280565739 1435681139 /nfs/dbraw/zinc/68/11/39/1435681139.db2.gz KWKPVIJCQQJBLU-HDJSIYSDSA-N -1 3 383.448 3.330 20 0 GGADHM COc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)cc1C ZINC000280577530 1435682444 /nfs/dbraw/zinc/68/24/44/1435682444.db2.gz ULJNGXNBSUPOKV-UHFFFAOYSA-N -1 3 383.448 3.008 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2)C[C@@H](C)O1 ZINC000280750746 1435714017 /nfs/dbraw/zinc/71/40/17/1435714017.db2.gz KMFOYCOECZSWRS-ZIAGYGMSSA-N -1 3 390.430 3.210 20 0 GGADHM O=C([O-])[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000280894202 1435737673 /nfs/dbraw/zinc/73/76/73/1435737673.db2.gz BYWMSCZBQAQPBH-BTDLBPIBSA-N -1 3 388.798 3.067 20 0 GGADHM O=C([N-]CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1)C(F)(F)F ZINC000280926126 1435742973 /nfs/dbraw/zinc/74/29/73/1435742973.db2.gz ADCYJPPXTIFUNT-KRWDZBQOSA-N -1 3 397.441 3.108 20 0 GGADHM COC(=O)c1sc2[n-]c(CS[C@H](C)C(=O)OC(C)(C)C)nc(=O)c2c1C ZINC000280975854 1435750172 /nfs/dbraw/zinc/75/01/72/1435750172.db2.gz LPQVPWMLOJNDQR-SECBINFHSA-N -1 3 398.506 3.455 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC000281090650 1435772170 /nfs/dbraw/zinc/77/21/70/1435772170.db2.gz BVKAYJNHMJQZFH-CYBMUJFWSA-N -1 3 397.866 3.411 20 0 GGADHM COc1ccc(OC(F)F)c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281313567 1435803434 /nfs/dbraw/zinc/80/34/34/1435803434.db2.gz QRPJYNKQMRNGNJ-UHFFFAOYSA-N -1 3 396.356 3.187 20 0 GGADHM Cc1ccc2cccc(NC(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)c2n1 ZINC000281367654 1435805895 /nfs/dbraw/zinc/80/58/95/1435805895.db2.gz MMYKDVGWTYMEEX-UHFFFAOYSA-N -1 3 394.397 3.466 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(C3CC3)no2)c1 ZINC000281396148 1435807171 /nfs/dbraw/zinc/80/71/71/1435807171.db2.gz DVVHHVJINDTFST-UHFFFAOYSA-N -1 3 397.884 3.488 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000281412285 1435807952 /nfs/dbraw/zinc/80/79/52/1435807952.db2.gz RFTJZWQJBZSAAL-AWEZNQCLSA-N -1 3 385.430 3.021 20 0 GGADHM O=C([N-]CC1CCN(C(=O)Nc2cccc3cccnc32)CC1)C(F)(F)F ZINC000281458285 1435809775 /nfs/dbraw/zinc/80/97/75/1435809775.db2.gz VDYHHKPQSAZDCP-UHFFFAOYSA-N -1 3 380.370 3.157 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC(F)(F)C2)c1 ZINC000281476508 1435810491 /nfs/dbraw/zinc/81/04/91/1435810491.db2.gz CVHFFKCECDGDSN-NSHDSACASA-N -1 3 379.363 3.106 20 0 GGADHM Cc1[nH]c2c(cccc2C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000281589714 1435814848 /nfs/dbraw/zinc/81/48/48/1435814848.db2.gz CGFRLLBUSCDFAB-UHFFFAOYSA-N -1 3 381.398 3.315 20 0 GGADHM C[C@@H](CCOc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281632566 1435816398 /nfs/dbraw/zinc/81/63/98/1435816398.db2.gz GSDVDRGBLXZMQU-AWEZNQCLSA-N -1 3 386.414 3.009 20 0 GGADHM CCCN(C)c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281647921 1435816974 /nfs/dbraw/zinc/81/69/74/1435816974.db2.gz HXDQBCGTDYUHQH-UHFFFAOYSA-N -1 3 385.430 3.064 20 0 GGADHM O=C([N-]CC1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1)C(F)(F)F ZINC000281664359 1435817629 /nfs/dbraw/zinc/81/76/29/1435817629.db2.gz JGDKDZUYSWFCTD-UHFFFAOYSA-N -1 3 380.366 3.477 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1F ZINC000281770113 1435821354 /nfs/dbraw/zinc/82/13/54/1435821354.db2.gz GASIDIWUVRYCHY-GFCCVEGCSA-N -1 3 389.393 3.295 20 0 GGADHM Cc1nc(-c2cccnc2)nc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000281779087 1435821751 /nfs/dbraw/zinc/82/17/51/1435821751.db2.gz HDYSRUWXXDYRSV-UHFFFAOYSA-N -1 3 393.413 3.050 20 0 GGADHM CO[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H](C)C1 ZINC000281782371 1435821908 /nfs/dbraw/zinc/82/19/08/1435821908.db2.gz NDZBMAQXAYDTEC-MAODMQOUSA-N -1 3 396.487 3.279 20 0 GGADHM CC[C@H](Sc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281800707 1435822483 /nfs/dbraw/zinc/82/24/83/1435822483.db2.gz SWWRRLBWTYAZHI-HNNXBMFYSA-N -1 3 388.455 3.474 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCO[C@H]2CCC[C@H]21 ZINC000281889980 1435825685 /nfs/dbraw/zinc/82/56/85/1435825685.db2.gz SVIPQNCLNVSYIE-HBMCJLEFSA-N -1 3 394.471 3.033 20 0 GGADHM C[C@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)Cc1cccs1 ZINC000281912523 1435826619 /nfs/dbraw/zinc/82/66/19/1435826619.db2.gz QKESIWOWGXBFMO-LBPRGKRZSA-N -1 3 391.459 3.027 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000281935009 1435827522 /nfs/dbraw/zinc/82/75/22/1435827522.db2.gz BNWOXUAFIMQZOI-CQSZACIVSA-N -1 3 390.434 3.427 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cncc(F)c2)CC1 ZINC000282084014 1435834046 /nfs/dbraw/zinc/83/40/46/1435834046.db2.gz XWCPNEZILUWIRY-UHFFFAOYSA-N -1 3 392.818 3.462 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000282105000 1435834718 /nfs/dbraw/zinc/83/47/18/1435834718.db2.gz WJNHADYMXPBTFL-SFHVURJKSA-N -1 3 388.489 3.022 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000282104998 1435834750 /nfs/dbraw/zinc/83/47/50/1435834750.db2.gz WJNHADYMXPBTFL-GOSISDBHSA-N -1 3 388.489 3.022 20 0 GGADHM C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000282273676 1435841234 /nfs/dbraw/zinc/84/12/34/1435841234.db2.gz DKKMKDIHAUCKQA-PSTGCABASA-N -1 3 380.872 3.036 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)no1 ZINC000282528470 1435850271 /nfs/dbraw/zinc/85/02/71/1435850271.db2.gz VWUBZXNSPIJLHJ-UHFFFAOYSA-N -1 3 389.355 3.195 20 0 GGADHM CC(=O)NCCN(Cc1ccsc1)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000282532953 1435850453 /nfs/dbraw/zinc/85/04/53/1435850453.db2.gz QPUWGXXKNLABAP-UHFFFAOYSA-N -1 3 386.473 3.007 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(=O)[n-]1 ZINC000282542997 1435850958 /nfs/dbraw/zinc/85/09/58/1435850958.db2.gz MOLOFTJANQASNG-RTBURBONSA-N -1 3 385.464 3.053 20 0 GGADHM CCCOc1cc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)ccc1OC ZINC000282766462 1435859491 /nfs/dbraw/zinc/85/94/91/1435859491.db2.gz IZPSBSMUTQKJGH-UHFFFAOYSA-N -1 3 394.493 3.476 20 0 GGADHM CCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1OCC ZINC000282778689 1435859969 /nfs/dbraw/zinc/85/99/69/1435859969.db2.gz KMBZDMQOWHEMBR-UHFFFAOYSA-N -1 3 394.493 3.476 20 0 GGADHM COc1ccc(NCc2ccc(OC(C)C)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000282911469 1435865781 /nfs/dbraw/zinc/86/57/81/1435865781.db2.gz ZWJLDSLWJRGFSO-UHFFFAOYSA-N -1 3 394.493 3.475 20 0 GGADHM COC(=O)[C@]1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1C ZINC000282959521 1435867733 /nfs/dbraw/zinc/86/77/33/1435867733.db2.gz ZOPVMJJCOKDXQD-NSPYISDASA-N -1 3 387.461 3.288 20 0 GGADHM CC(C)n1cnc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000282960645 1435867749 /nfs/dbraw/zinc/86/77/49/1435867749.db2.gz ZWALQKBAUYTOLM-UHFFFAOYSA-N -1 3 390.871 3.314 20 0 GGADHM O=C(Nc1nc(C2CCC2)cs1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000283019545 1435870705 /nfs/dbraw/zinc/87/07/05/1435870705.db2.gz NZXBQJZRERHSHK-UHFFFAOYSA-N -1 3 386.477 3.106 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C4OCCO4)s3)c2)n1 ZINC000283215991 1435879628 /nfs/dbraw/zinc/87/96/28/1435879628.db2.gz ZMMWKCJWHGKZCI-UHFFFAOYSA-N -1 3 398.444 3.166 20 0 GGADHM C[C@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824553804 1441420605 /nfs/dbraw/zinc/42/06/05/1441420605.db2.gz IIRVSFKIOGLROM-STQMWFEESA-N -1 3 384.871 3.048 20 0 GGADHM C[C@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000824553804 1441420612 /nfs/dbraw/zinc/42/06/12/1441420612.db2.gz IIRVSFKIOGLROM-STQMWFEESA-N -1 3 384.871 3.048 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820411234 1441447879 /nfs/dbraw/zinc/44/78/79/1441447879.db2.gz HLARZKFSKNFGBU-KGLIPLIRSA-N -1 3 394.504 3.045 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820411234 1441447881 /nfs/dbraw/zinc/44/78/81/1441447881.db2.gz HLARZKFSKNFGBU-KGLIPLIRSA-N -1 3 394.504 3.045 20 0 GGADHM COc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826194217 1441480699 /nfs/dbraw/zinc/48/06/99/1441480699.db2.gz FPLBUYINSSSPDR-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM COc1ccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000826194217 1441480703 /nfs/dbraw/zinc/48/07/03/1441480703.db2.gz FPLBUYINSSSPDR-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM COc1cccc2cc([C@H](C)NCc3ccc(OC)c(-c4nn[n-]n4)c3)oc21 ZINC000821803006 1441494483 /nfs/dbraw/zinc/49/44/83/1441494483.db2.gz AOCOXPRZKPKXOG-LBPRGKRZSA-N -1 3 379.420 3.481 20 0 GGADHM COc1cccc2cc([C@H](C)NCc3ccc(OC)c(-c4nnn[n-]4)c3)oc21 ZINC000821803006 1441494484 /nfs/dbraw/zinc/49/44/84/1441494484.db2.gz AOCOXPRZKPKXOG-LBPRGKRZSA-N -1 3 379.420 3.481 20 0 GGADHM C[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824563387 1441495904 /nfs/dbraw/zinc/49/59/04/1441495904.db2.gz NQBAPRLMSQKZML-AWEZNQCLSA-N -1 3 378.480 3.454 20 0 GGADHM C[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824563387 1441495906 /nfs/dbraw/zinc/49/59/06/1441495906.db2.gz NQBAPRLMSQKZML-AWEZNQCLSA-N -1 3 378.480 3.454 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735874920 1441502144 /nfs/dbraw/zinc/50/21/44/1441502144.db2.gz WEBNBQIQIHYBRU-LJQANCHMSA-N -1 3 392.463 3.103 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000825465701 1441527320 /nfs/dbraw/zinc/52/73/20/1441527320.db2.gz PUMFLFWPHWLSMV-INIZCTEOSA-N -1 3 377.496 3.182 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000825465701 1441527325 /nfs/dbraw/zinc/52/73/25/1441527325.db2.gz PUMFLFWPHWLSMV-INIZCTEOSA-N -1 3 377.496 3.182 20 0 GGADHM Clc1cc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc2c1OCCO2 ZINC000826350631 1441565957 /nfs/dbraw/zinc/56/59/57/1441565957.db2.gz FJPXWXPQEKNTDH-KRWDZBQOSA-N -1 3 397.866 3.459 20 0 GGADHM Clc1cc(CN[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc2c1OCCO2 ZINC000826350631 1441565958 /nfs/dbraw/zinc/56/59/58/1441565958.db2.gz FJPXWXPQEKNTDH-KRWDZBQOSA-N -1 3 397.866 3.459 20 0 GGADHM C[C@@H](NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824598815 1441586388 /nfs/dbraw/zinc/58/63/88/1441586388.db2.gz JKTQDPDSBWCBMW-SECBINFHSA-N -1 3 396.257 3.470 20 0 GGADHM C[C@@H](NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824598815 1441586389 /nfs/dbraw/zinc/58/63/89/1441586389.db2.gz JKTQDPDSBWCBMW-SECBINFHSA-N -1 3 396.257 3.470 20 0 GGADHM C[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000824625853 1441605383 /nfs/dbraw/zinc/60/53/83/1441605383.db2.gz LHFHNDDVMZNFKZ-HNNXBMFYSA-N -1 3 387.447 3.087 20 0 GGADHM C[C@H](NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000824625853 1441605387 /nfs/dbraw/zinc/60/53/87/1441605387.db2.gz LHFHNDDVMZNFKZ-HNNXBMFYSA-N -1 3 387.447 3.087 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(Cc1ccc(F)cc1)C1CC1 ZINC000737032060 1441649695 /nfs/dbraw/zinc/64/96/95/1441649695.db2.gz JOEGCNLWWWTYIV-UHFFFAOYSA-N -1 3 383.427 3.058 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(Cc1ccc(F)cc1)C1CC1 ZINC000737032060 1441649700 /nfs/dbraw/zinc/64/97/00/1441649700.db2.gz JOEGCNLWWWTYIV-UHFFFAOYSA-N -1 3 383.427 3.058 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413518 1441650818 /nfs/dbraw/zinc/65/08/18/1441650818.db2.gz RIQOGJPCHQFIOQ-DYVFJYSZSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820413518 1441650824 /nfs/dbraw/zinc/65/08/24/1441650824.db2.gz RIQOGJPCHQFIOQ-DYVFJYSZSA-N -1 3 396.882 3.366 20 0 GGADHM Brc1ccc(CNCCSCc2ccccc2-c2nn[n-]n2)o1 ZINC000735369499 1441703116 /nfs/dbraw/zinc/70/31/16/1441703116.db2.gz VSYBBFSUYMZXPZ-UHFFFAOYSA-N -1 3 394.298 3.245 20 0 GGADHM Brc1ccc(CNCCSCc2ccccc2-c2nnn[n-]2)o1 ZINC000735369499 1441703121 /nfs/dbraw/zinc/70/31/21/1441703121.db2.gz VSYBBFSUYMZXPZ-UHFFFAOYSA-N -1 3 394.298 3.245 20 0 GGADHM CCN(Cc1ccc(-n2cncn2)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434812 1441768042 /nfs/dbraw/zinc/76/80/42/1441768042.db2.gz GEFLQYUHPQYRAQ-CQSZACIVSA-N -1 3 392.442 3.170 20 0 GGADHM CC[C@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2C2CCCC2)C1 ZINC000820989623 1441867403 /nfs/dbraw/zinc/86/74/03/1441867403.db2.gz XIPNVBCHQSELSV-HNNXBMFYSA-N -1 3 385.516 3.071 20 0 GGADHM CC[C@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCC2)C1 ZINC000820989623 1441867408 /nfs/dbraw/zinc/86/74/08/1441867408.db2.gz XIPNVBCHQSELSV-HNNXBMFYSA-N -1 3 385.516 3.071 20 0 GGADHM Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737319738 1441921630 /nfs/dbraw/zinc/92/16/30/1441921630.db2.gz GPTZKRLGUFCVTJ-QWHCGFSZSA-N -1 3 396.520 3.403 20 0 GGADHM Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737319738 1441921632 /nfs/dbraw/zinc/92/16/32/1441921632.db2.gz GPTZKRLGUFCVTJ-QWHCGFSZSA-N -1 3 396.520 3.403 20 0 GGADHM c1ccc2c(c1)cncc2CN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522468 1441931107 /nfs/dbraw/zinc/93/11/07/1441931107.db2.gz BXXVDBXWWQDZRJ-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM c1ccc2c(c1)cncc2CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522468 1441931109 /nfs/dbraw/zinc/93/11/09/1441931109.db2.gz BXXVDBXWWQDZRJ-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM Cc1ccccc1[C@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826306323 1441950225 /nfs/dbraw/zinc/95/02/25/1441950225.db2.gz VZVPBKLHOBHLFV-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1ccccc1[C@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826306323 1441950226 /nfs/dbraw/zinc/95/02/26/1441950226.db2.gz VZVPBKLHOBHLFV-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM CCS[C@@H]1CC[C@H](N(C)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000821447817 1441958869 /nfs/dbraw/zinc/95/88/69/1441958869.db2.gz LGTSPRBTBAZHCO-DLBZAZTESA-N -1 3 383.525 3.294 20 0 GGADHM CCS[C@@H]1CC[C@H](N(C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447817 1441958871 /nfs/dbraw/zinc/95/88/71/1441958871.db2.gz LGTSPRBTBAZHCO-DLBZAZTESA-N -1 3 383.525 3.294 20 0 GGADHM O=C(c1ccc(F)cc1F)C1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853063 1442011254 /nfs/dbraw/zinc/01/12/54/1442011254.db2.gz CBBDACZLLYVNTK-UHFFFAOYSA-N -1 3 383.402 3.240 20 0 GGADHM O=C(c1ccc(F)cc1F)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139853063 1442011258 /nfs/dbraw/zinc/01/12/58/1442011258.db2.gz CBBDACZLLYVNTK-UHFFFAOYSA-N -1 3 383.402 3.240 20 0 GGADHM COc1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(=O)C1CC1 ZINC000826179447 1442040652 /nfs/dbraw/zinc/04/06/52/1442040652.db2.gz OQOWCIRLUUFZNQ-ZDUSSCGKSA-N -1 3 393.447 3.042 20 0 GGADHM COc1cc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(=O)C1CC1 ZINC000826179447 1442040653 /nfs/dbraw/zinc/04/06/53/1442040653.db2.gz OQOWCIRLUUFZNQ-ZDUSSCGKSA-N -1 3 393.447 3.042 20 0 GGADHM CCOC(=O)CCCN(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139097184 1442101974 /nfs/dbraw/zinc/10/19/74/1442101974.db2.gz VJXFKTYCZWMTPD-UHFFFAOYSA-N -1 3 379.464 3.212 20 0 GGADHM CCOC(=O)CCCN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139097184 1442101977 /nfs/dbraw/zinc/10/19/77/1442101977.db2.gz VJXFKTYCZWMTPD-UHFFFAOYSA-N -1 3 379.464 3.212 20 0 GGADHM CCN1CCN(c2ccccc2N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825466347 1442144747 /nfs/dbraw/zinc/14/47/47/1442144747.db2.gz ZVAOJLPDHIQVJW-OAHLLOKOSA-N -1 3 395.486 3.321 20 0 GGADHM CCN1CCN(c2ccccc2N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825466347 1442144750 /nfs/dbraw/zinc/14/47/50/1442144750.db2.gz ZVAOJLPDHIQVJW-OAHLLOKOSA-N -1 3 395.486 3.321 20 0 GGADHM FC(F)(F)COCc1cccc(CNCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826367741 1442300015 /nfs/dbraw/zinc/30/00/15/1442300015.db2.gz MDUNPEKWLNBKMN-UHFFFAOYSA-N -1 3 383.399 3.297 20 0 GGADHM FC(F)(F)COCc1cccc(CNCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826367741 1442300017 /nfs/dbraw/zinc/30/00/17/1442300017.db2.gz MDUNPEKWLNBKMN-UHFFFAOYSA-N -1 3 383.399 3.297 20 0 GGADHM COc1ccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000821804923 1442321131 /nfs/dbraw/zinc/32/11/31/1442321131.db2.gz QYLFDIJIPJBYLF-RBUKOAKNSA-N -1 3 383.427 3.024 20 0 GGADHM Cc1cccc(CN2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1 ZINC000826298117 1442334459 /nfs/dbraw/zinc/33/44/59/1442334459.db2.gz DWSZVPJZQVUXCH-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824538732 1442339333 /nfs/dbraw/zinc/33/93/33/1442339333.db2.gz KGRRZFGLNNBLMZ-OEPMTFCVSA-N -1 3 396.882 3.143 20 0 GGADHM C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538732 1442339337 /nfs/dbraw/zinc/33/93/37/1442339337.db2.gz KGRRZFGLNNBLMZ-OEPMTFCVSA-N -1 3 396.882 3.143 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820412956 1442382789 /nfs/dbraw/zinc/38/27/89/1442382789.db2.gz NRALQVJMPZFWPA-DLBZAZTESA-N -1 3 392.507 3.343 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820412956 1442382793 /nfs/dbraw/zinc/38/27/93/1442382793.db2.gz NRALQVJMPZFWPA-DLBZAZTESA-N -1 3 392.507 3.343 20 0 GGADHM CC1CCN([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2)CC1 ZINC000820723206 1442420152 /nfs/dbraw/zinc/42/01/52/1442420152.db2.gz XEPSVWDAFUWMKT-INIZCTEOSA-N -1 3 396.520 3.131 20 0 GGADHM CC1CCN([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2)CC1 ZINC000820723206 1442420154 /nfs/dbraw/zinc/42/01/54/1442420154.db2.gz XEPSVWDAFUWMKT-INIZCTEOSA-N -1 3 396.520 3.131 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)[C@H]2CCCC[C@@H]12 ZINC000820728609 1442444096 /nfs/dbraw/zinc/44/40/96/1442444096.db2.gz XJSNJXFSFMAVEW-COXVUDFISA-N -1 3 379.468 3.317 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000824019758 1443077937 /nfs/dbraw/zinc/07/79/37/1443077937.db2.gz NJTQLAFFHGXTBY-SFHVURJKSA-N -1 3 380.452 3.301 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000824019758 1443077939 /nfs/dbraw/zinc/07/79/39/1443077939.db2.gz NJTQLAFFHGXTBY-SFHVURJKSA-N -1 3 380.452 3.301 20 0 GGADHM Cn1cc(CN(Cc2ccccc2)C2CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360194 1443086667 /nfs/dbraw/zinc/08/66/67/1443086667.db2.gz AFVZBXVYEVOQRT-UHFFFAOYSA-N -1 3 385.475 3.432 20 0 GGADHM Cn1cc(CN(Cc2ccccc2)C2CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360194 1443086670 /nfs/dbraw/zinc/08/66/70/1443086670.db2.gz AFVZBXVYEVOQRT-UHFFFAOYSA-N -1 3 385.475 3.432 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826373504 1443105701 /nfs/dbraw/zinc/10/57/01/1443105701.db2.gz OPKUBERRJFKMEU-MRXNPFEDSA-N -1 3 377.427 3.020 20 0 GGADHM OCCCN(Cc1cccc(Cl)c1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826510136 1443119783 /nfs/dbraw/zinc/11/97/83/1443119783.db2.gz ZNLUMVQVUOEIDN-UHFFFAOYSA-N -1 3 375.835 3.044 20 0 GGADHM OCCCN(Cc1cccc(Cl)c1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826510136 1443119787 /nfs/dbraw/zinc/11/97/87/1443119787.db2.gz ZNLUMVQVUOEIDN-UHFFFAOYSA-N -1 3 375.835 3.044 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](C)c1ccc(Br)cc1 ZINC000826184118 1443137486 /nfs/dbraw/zinc/13/74/86/1443137486.db2.gz LQUWPSIOCYIPIU-NSHDSACASA-N -1 3 388.269 3.489 20 0 GGADHM CCc1ccccc1NC(=O)C[C@H](C)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825723190 1443175381 /nfs/dbraw/zinc/17/53/81/1443175381.db2.gz UBDJKUAYSGHVOL-ZDUSSCGKSA-N -1 3 382.443 3.075 20 0 GGADHM CCc1ccccc1NC(=O)C[C@H](C)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825723190 1443175385 /nfs/dbraw/zinc/17/53/85/1443175385.db2.gz UBDJKUAYSGHVOL-ZDUSSCGKSA-N -1 3 382.443 3.075 20 0 GGADHM COc1ccc([C@H](C)CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826187842 1443178258 /nfs/dbraw/zinc/17/82/58/1443178258.db2.gz GOBZYDALABFLIP-FOIQADDNSA-N -1 3 379.464 3.052 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)C[C@H]1CC=CCC1 ZINC000824052144 1443198848 /nfs/dbraw/zinc/19/88/48/1443198848.db2.gz LOTPZECMNXCYND-STQMWFEESA-N -1 3 386.525 3.032 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)C[C@H]1CC=CCC1 ZINC000824052144 1443198851 /nfs/dbraw/zinc/19/88/51/1443198851.db2.gz LOTPZECMNXCYND-STQMWFEESA-N -1 3 386.525 3.032 20 0 GGADHM COc1ccc(CNCc2cc(C)ccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821813269 1443221162 /nfs/dbraw/zinc/22/11/62/1443221162.db2.gz COXUGIOHYWSRHJ-UHFFFAOYSA-N -1 3 375.379 3.075 20 0 GGADHM COc1ccc(CNCc2cc(C)ccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000821813269 1443221163 /nfs/dbraw/zinc/22/11/63/1443221163.db2.gz COXUGIOHYWSRHJ-UHFFFAOYSA-N -1 3 375.379 3.075 20 0 GGADHM COc1ccccc1COC1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826220545 1443222819 /nfs/dbraw/zinc/22/28/19/1443222819.db2.gz REVFLDNYKVAZES-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM COc1ccccc1COC1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826220545 1443222822 /nfs/dbraw/zinc/22/28/22/1443222822.db2.gz REVFLDNYKVAZES-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232962 1443230281 /nfs/dbraw/zinc/23/02/81/1443230281.db2.gz DQNICBWLDUJAHQ-JKIFEVAISA-N -1 3 394.454 3.211 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232962 1443230285 /nfs/dbraw/zinc/23/02/85/1443230285.db2.gz DQNICBWLDUJAHQ-JKIFEVAISA-N -1 3 394.454 3.211 20 0 GGADHM CO[C@@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000826147100 1443277957 /nfs/dbraw/zinc/27/79/57/1443277957.db2.gz NOQVEHYPQFBBEH-LJQANCHMSA-N -1 3 379.464 3.057 20 0 GGADHM CO[C@@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826147100 1443277961 /nfs/dbraw/zinc/27/79/61/1443277961.db2.gz NOQVEHYPQFBBEH-LJQANCHMSA-N -1 3 379.464 3.057 20 0 GGADHM Cc1cc([C@@H](N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262321 1443292417 /nfs/dbraw/zinc/29/24/17/1443292417.db2.gz LTJFLMRRWQVOGY-DJJJIMSYSA-N -1 3 394.454 3.382 20 0 GGADHM Cc1cc([C@@H](N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262321 1443292422 /nfs/dbraw/zinc/29/24/22/1443292422.db2.gz LTJFLMRRWQVOGY-DJJJIMSYSA-N -1 3 394.454 3.382 20 0 GGADHM C[C@H](NCc1ccccc1Cn1cccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627028 1443325207 /nfs/dbraw/zinc/32/52/07/1443325207.db2.gz SNNZYMNTTMPZKE-AWEZNQCLSA-N -1 3 377.427 3.101 20 0 GGADHM C[C@H](NCc1ccccc1Cn1cccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627028 1443325212 /nfs/dbraw/zinc/32/52/12/1443325212.db2.gz SNNZYMNTTMPZKE-AWEZNQCLSA-N -1 3 377.427 3.101 20 0 GGADHM Cc1ccnc(N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826312728 1443358212 /nfs/dbraw/zinc/35/82/12/1443358212.db2.gz NAVGHEPINVYNTN-AEFFLSMTSA-N -1 3 399.449 3.484 20 0 GGADHM Cc1ccsc1[C@H](C)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826315746 1443368386 /nfs/dbraw/zinc/36/83/86/1443368386.db2.gz SEGKIEGBJRHUGA-BBRMVZONSA-N -1 3 382.493 3.083 20 0 GGADHM Cc1ccsc1[C@H](C)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826315746 1443368388 /nfs/dbraw/zinc/36/83/88/1443368388.db2.gz SEGKIEGBJRHUGA-BBRMVZONSA-N -1 3 382.493 3.083 20 0 GGADHM CC(C)Oc1ccc([C@H](O)CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824324804 1443371880 /nfs/dbraw/zinc/37/18/80/1443371880.db2.gz VZWGZPHYHPFRFB-ORAYPTAESA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1ccc([C@H](O)CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824324804 1443371885 /nfs/dbraw/zinc/37/18/85/1443371885.db2.gz VZWGZPHYHPFRFB-ORAYPTAESA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297614 1443456604 /nfs/dbraw/zinc/45/66/04/1443456604.db2.gz XSKODUIOVQMWNL-DLBZAZTESA-N -1 3 385.422 3.176 20 0 GGADHM c1cc(-c2nn[n-]n2)sc1CNCc1cccc(OCc2ccccn2)c1 ZINC000823788120 1443499777 /nfs/dbraw/zinc/49/97/77/1443499777.db2.gz VTEVFLANQMUUFD-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM c1cc(-c2nnn[n-]2)sc1CNCc1cccc(OCc2ccccn2)c1 ZINC000823788120 1443499778 /nfs/dbraw/zinc/49/97/78/1443499778.db2.gz VTEVFLANQMUUFD-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000737244655 1443558929 /nfs/dbraw/zinc/55/89/29/1443558929.db2.gz JLWVUZNCFGAHHO-UHFFFAOYSA-N -1 3 389.507 3.158 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000737244655 1443558932 /nfs/dbraw/zinc/55/89/32/1443558932.db2.gz JLWVUZNCFGAHHO-UHFFFAOYSA-N -1 3 389.507 3.158 20 0 GGADHM Clc1cccc(OCCN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737576092 1443571357 /nfs/dbraw/zinc/57/13/57/1443571357.db2.gz UMVDYAWBNKGTLE-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM Clc1cccc(OCCN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737576092 1443571360 /nfs/dbraw/zinc/57/13/60/1443571360.db2.gz UMVDYAWBNKGTLE-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000735561528 1443571664 /nfs/dbraw/zinc/57/16/64/1443571664.db2.gz LHIZZOSSZIKBHM-WMZOPIPTSA-N -1 3 390.491 3.148 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000735561528 1443571668 /nfs/dbraw/zinc/57/16/68/1443571668.db2.gz LHIZZOSSZIKBHM-WMZOPIPTSA-N -1 3 390.491 3.148 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826369680 1443600345 /nfs/dbraw/zinc/60/03/45/1443600345.db2.gz MIABIEXHRSQWMZ-ZIAGYGMSSA-N -1 3 393.438 3.107 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826369680 1443600346 /nfs/dbraw/zinc/60/03/46/1443600346.db2.gz MIABIEXHRSQWMZ-ZIAGYGMSSA-N -1 3 393.438 3.107 20 0 GGADHM COc1cc(CN2C[C@H]3CCC[C@@H]32)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000821716996 1443622373 /nfs/dbraw/zinc/62/23/73/1443622373.db2.gz JFRMNXLOCKIZEM-MOPGFXCFSA-N -1 3 391.475 3.439 20 0 GGADHM COc1cc(CN2C[C@H]3CCC[C@@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821716996 1443622377 /nfs/dbraw/zinc/62/23/77/1443622377.db2.gz JFRMNXLOCKIZEM-MOPGFXCFSA-N -1 3 391.475 3.439 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@@H]2CCOC2)c1 ZINC000826288457 1443633286 /nfs/dbraw/zinc/63/32/86/1443633286.db2.gz IACQNFKRBZWUAI-IAGOWNOFSA-N -1 3 393.491 3.441 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@@H]2CCOC2)c1 ZINC000826288457 1443633289 /nfs/dbraw/zinc/63/32/89/1443633289.db2.gz IACQNFKRBZWUAI-IAGOWNOFSA-N -1 3 393.491 3.441 20 0 GGADHM C[C@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824605505 1443633478 /nfs/dbraw/zinc/63/34/78/1443633478.db2.gz IXBZNKPIBBEMRV-QMMMGPOBSA-N -1 3 386.378 3.374 20 0 GGADHM C[C@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824605505 1443633482 /nfs/dbraw/zinc/63/34/82/1443633482.db2.gz IXBZNKPIBBEMRV-QMMMGPOBSA-N -1 3 386.378 3.374 20 0 GGADHM Fc1c(CN2CC=C(c3cnc4[nH]cccc3-4)CC2)cccc1-c1nn[n-]n1 ZINC000826370249 1443642873 /nfs/dbraw/zinc/64/28/73/1443642873.db2.gz KBPVTGQJSASGNZ-UHFFFAOYSA-N -1 3 375.411 3.171 20 0 GGADHM c1cc(-c2nn[n-]n2)ccc1OC1CCN(CCOC2CCCCCC2)CC1 ZINC000738412038 1443664848 /nfs/dbraw/zinc/66/48/48/1443664848.db2.gz FAITZUXOMLJBMA-UHFFFAOYSA-N -1 3 385.512 3.449 20 0 GGADHM c1cc(-c2nnn[n-]2)ccc1OC1CCN(CCOC2CCCCCC2)CC1 ZINC000738412038 1443664850 /nfs/dbraw/zinc/66/48/50/1443664850.db2.gz FAITZUXOMLJBMA-UHFFFAOYSA-N -1 3 385.512 3.449 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264370 1443702924 /nfs/dbraw/zinc/70/29/24/1443702924.db2.gz LZAYQTDWSZYLOR-DLBZAZTESA-N -1 3 390.491 3.300 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264370 1443702925 /nfs/dbraw/zinc/70/29/25/1443702925.db2.gz LZAYQTDWSZYLOR-DLBZAZTESA-N -1 3 390.491 3.300 20 0 GGADHM Fc1ccc(CCN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000822766630 1443705653 /nfs/dbraw/zinc/70/56/53/1443705653.db2.gz LQRKVKJJESLPGE-UHFFFAOYSA-N -1 3 385.418 3.231 20 0 GGADHM Fc1ccc(CCN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000822766630 1443705657 /nfs/dbraw/zinc/70/56/57/1443705657.db2.gz LQRKVKJJESLPGE-UHFFFAOYSA-N -1 3 385.418 3.231 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000826168292 1443749696 /nfs/dbraw/zinc/74/96/96/1443749696.db2.gz IXKPIXLXYIRURT-HXUWFJFHSA-N -1 3 393.491 3.099 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000826168292 1443749699 /nfs/dbraw/zinc/74/96/99/1443749699.db2.gz IXKPIXLXYIRURT-HXUWFJFHSA-N -1 3 393.491 3.099 20 0 GGADHM CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736132466 1443777347 /nfs/dbraw/zinc/77/73/47/1443777347.db2.gz OJMDWKBTXOOSRA-UGSOOPFHSA-N -1 3 382.443 3.320 20 0 GGADHM CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736132466 1443777349 /nfs/dbraw/zinc/77/73/49/1443777349.db2.gz OJMDWKBTXOOSRA-UGSOOPFHSA-N -1 3 382.443 3.320 20 0 GGADHM Brc1ccc(C2(NCc3ccnc(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000823827166 1443785796 /nfs/dbraw/zinc/78/57/96/1443785796.db2.gz VRRMRYHTXXFNBW-UHFFFAOYSA-N -1 3 385.269 3.193 20 0 GGADHM Brc1ccc(C2(NCc3ccnc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000823827166 1443785800 /nfs/dbraw/zinc/78/58/00/1443785800.db2.gz VRRMRYHTXXFNBW-UHFFFAOYSA-N -1 3 385.269 3.193 20 0 GGADHM Clc1ccccc1C[C@@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826353231 1443789214 /nfs/dbraw/zinc/78/92/14/1443789214.db2.gz HBUXKLAPXWVFIN-INIZCTEOSA-N -1 3 393.882 3.375 20 0 GGADHM Clc1ccccc1C[C@@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826353231 1443789216 /nfs/dbraw/zinc/78/92/16/1443789216.db2.gz HBUXKLAPXWVFIN-INIZCTEOSA-N -1 3 393.882 3.375 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C(=O)NC(C)(C)C ZINC000824533140 1443883954 /nfs/dbraw/zinc/88/39/54/1443883954.db2.gz ZEZSJKVWPNXLQW-LSDHHAIUSA-N -1 3 392.507 3.488 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C(=O)NC(C)(C)C ZINC000824533140 1443883958 /nfs/dbraw/zinc/88/39/58/1443883958.db2.gz ZEZSJKVWPNXLQW-LSDHHAIUSA-N -1 3 392.507 3.488 20 0 GGADHM Clc1ccc(Nc2cccc(CN3CCSCC3)c2)nc1-c1nn[n-]n1 ZINC000822578346 1443884153 /nfs/dbraw/zinc/88/41/53/1443884153.db2.gz HNBONJXFEPJGKH-UHFFFAOYSA-N -1 3 387.900 3.208 20 0 GGADHM Clc1ccc(Nc2cccc(CN3CCSCC3)c2)nc1-c1nnn[n-]1 ZINC000822578346 1443884156 /nfs/dbraw/zinc/88/41/56/1443884156.db2.gz HNBONJXFEPJGKH-UHFFFAOYSA-N -1 3 387.900 3.208 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)Cc1cccc(OC(C)C)c1 ZINC000826175481 1443961822 /nfs/dbraw/zinc/96/18/22/1443961822.db2.gz GUPOGXXNVXVCSP-UHFFFAOYSA-N -1 3 397.479 3.173 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)Cc1cccc(OC(C)C)c1 ZINC000826175481 1443961824 /nfs/dbraw/zinc/96/18/24/1443961824.db2.gz GUPOGXXNVXVCSP-UHFFFAOYSA-N -1 3 397.479 3.173 20 0 GGADHM C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820259951 1443988067 /nfs/dbraw/zinc/98/80/67/1443988067.db2.gz DOQSIHUEAQKEHN-HNNXBMFYSA-N -1 3 397.914 3.143 20 0 GGADHM C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820259951 1443988069 /nfs/dbraw/zinc/98/80/69/1443988069.db2.gz DOQSIHUEAQKEHN-HNNXBMFYSA-N -1 3 397.914 3.143 20 0 GGADHM CCOc1c(Cl)cc(CNCc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821389984 1446097592 /nfs/dbraw/zinc/09/75/92/1446097592.db2.gz SDXXPAYOFSWEHB-UHFFFAOYSA-N -1 3 379.873 3.279 20 0 GGADHM CCOc1c(Cl)cc(CNCc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821389984 1446097599 /nfs/dbraw/zinc/09/75/99/1446097599.db2.gz SDXXPAYOFSWEHB-UHFFFAOYSA-N -1 3 379.873 3.279 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000826506383 1446110900 /nfs/dbraw/zinc/11/09/00/1446110900.db2.gz TZWYHQSRAIVEJU-DZGCQCFKSA-N -1 3 395.410 3.255 20 0 GGADHM O=C(C=CC1CCCCC1)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737794382 1446114574 /nfs/dbraw/zinc/11/45/74/1446114574.db2.gz DPSIXEXMEXGGGI-XFXZXTDPSA-N -1 3 394.523 3.038 20 0 GGADHM O=C(C=CC1CCCCC1)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737794382 1446114579 /nfs/dbraw/zinc/11/45/79/1446114579.db2.gz DPSIXEXMEXGGGI-XFXZXTDPSA-N -1 3 394.523 3.038 20 0 GGADHM CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825466346 1446122024 /nfs/dbraw/zinc/12/20/24/1446122024.db2.gz ZVAOJLPDHIQVJW-HNNXBMFYSA-N -1 3 395.486 3.321 20 0 GGADHM CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825466346 1446122029 /nfs/dbraw/zinc/12/20/29/1446122029.db2.gz ZVAOJLPDHIQVJW-HNNXBMFYSA-N -1 3 395.486 3.321 20 0 GGADHM C[C@@H](NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000824586445 1446135569 /nfs/dbraw/zinc/13/55/69/1446135569.db2.gz ZCVBRYKFCJNBRQ-LLVKDONJSA-N -1 3 388.834 3.339 20 0 GGADHM C[C@@H](NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000824586445 1446135572 /nfs/dbraw/zinc/13/55/72/1446135572.db2.gz ZCVBRYKFCJNBRQ-LLVKDONJSA-N -1 3 388.834 3.339 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC000826233719 1446147856 /nfs/dbraw/zinc/14/78/56/1446147856.db2.gz STVBBGUQVOEDPJ-MRXNPFEDSA-N -1 3 397.527 3.071 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC000826233719 1446147860 /nfs/dbraw/zinc/14/78/60/1446147860.db2.gz STVBBGUQVOEDPJ-MRXNPFEDSA-N -1 3 397.527 3.071 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736410740 1446154094 /nfs/dbraw/zinc/15/40/94/1446154094.db2.gz LHWYMELVWCNNKV-OAHLLOKOSA-N -1 3 385.493 3.325 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000821702373 1446208187 /nfs/dbraw/zinc/20/81/87/1446208187.db2.gz REKKSOCWYKHQMO-HOCLYGCPSA-N -1 3 383.452 3.320 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000821702373 1446208193 /nfs/dbraw/zinc/20/81/93/1446208193.db2.gz REKKSOCWYKHQMO-HOCLYGCPSA-N -1 3 383.452 3.320 20 0 GGADHM CCS[C@H]1CC[C@H](N(C)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000821447819 1446208388 /nfs/dbraw/zinc/20/83/88/1446208388.db2.gz LGTSPRBTBAZHCO-IRXDYDNUSA-N -1 3 383.525 3.294 20 0 GGADHM CCS[C@H]1CC[C@H](N(C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447819 1446208391 /nfs/dbraw/zinc/20/83/91/1446208391.db2.gz LGTSPRBTBAZHCO-IRXDYDNUSA-N -1 3 383.525 3.294 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825406446 1446262094 /nfs/dbraw/zinc/26/20/94/1446262094.db2.gz OHTVNRXRPMTNCQ-AWEZNQCLSA-N -1 3 396.470 3.339 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825406446 1446262098 /nfs/dbraw/zinc/26/20/98/1446262098.db2.gz OHTVNRXRPMTNCQ-AWEZNQCLSA-N -1 3 396.470 3.339 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cccc1-c1nn[n-]n1 ZINC000822095324 1446269071 /nfs/dbraw/zinc/26/90/71/1446269071.db2.gz DCMOMEVTKSSDEJ-KRWDZBQOSA-N -1 3 399.886 3.253 20 0 GGADHM Cc1c(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cccc1-c1nnn[n-]1 ZINC000822095324 1446269073 /nfs/dbraw/zinc/26/90/73/1446269073.db2.gz DCMOMEVTKSSDEJ-KRWDZBQOSA-N -1 3 399.886 3.253 20 0 GGADHM FC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001139091855 1446284779 /nfs/dbraw/zinc/28/47/79/1446284779.db2.gz SRAJUJHROABYAH-UHFFFAOYSA-N -1 3 388.397 3.208 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826412416 1446307428 /nfs/dbraw/zinc/30/74/28/1446307428.db2.gz NHRNISKQXGAURQ-HXUWFJFHSA-N -1 3 390.491 3.004 20 0 GGADHM O=C(CN[C@H](CC1CCC1)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826412416 1446307433 /nfs/dbraw/zinc/30/74/33/1446307433.db2.gz NHRNISKQXGAURQ-HXUWFJFHSA-N -1 3 390.491 3.004 20 0 GGADHM Fc1cc(N2CC[C@H](NCc3ccc(-c4nn[n-]n4)cc3F)C2)ccc1Cl ZINC000826372829 1446316161 /nfs/dbraw/zinc/31/61/61/1446316161.db2.gz NGDDENHJZKKARA-ZDUSSCGKSA-N -1 3 390.825 3.167 20 0 GGADHM Fc1cc(N2CC[C@H](NCc3ccc(-c4nnn[n-]4)cc3F)C2)ccc1Cl ZINC000826372829 1446316164 /nfs/dbraw/zinc/31/61/64/1446316164.db2.gz NGDDENHJZKKARA-ZDUSSCGKSA-N -1 3 390.825 3.167 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826506230 1446400835 /nfs/dbraw/zinc/40/08/35/1446400835.db2.gz PFXYVQGSJJPMTA-IAGOWNOFSA-N -1 3 389.381 3.193 20 0 GGADHM O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737891194 1446451347 /nfs/dbraw/zinc/45/13/47/1446451347.db2.gz IFPZHQLNGBGJMY-GOSISDBHSA-N -1 3 382.855 3.200 20 0 GGADHM O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737891194 1446451353 /nfs/dbraw/zinc/45/13/53/1446451353.db2.gz IFPZHQLNGBGJMY-GOSISDBHSA-N -1 3 382.855 3.200 20 0 GGADHM c1cc(-c2ccc3c(C4CN(Cc5cccc(-c6nn[n-]n6)c5)C4)ncn3c2)co1 ZINC001139852369 1446457804 /nfs/dbraw/zinc/45/78/04/1446457804.db2.gz CZJBRZOJVSZSGS-UHFFFAOYSA-N -1 3 397.442 3.374 20 0 GGADHM c1cc(-c2ccc3c(C4CN(Cc5cccc(-c6nnn[n-]6)c5)C4)ncn3c2)co1 ZINC001139852369 1446457808 /nfs/dbraw/zinc/45/78/08/1446457808.db2.gz CZJBRZOJVSZSGS-UHFFFAOYSA-N -1 3 397.442 3.374 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547460 1446473490 /nfs/dbraw/zinc/47/34/90/1446473490.db2.gz OOXODIQPTFUAEQ-ACJLOTCBSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547460 1446473491 /nfs/dbraw/zinc/47/34/91/1446473491.db2.gz OOXODIQPTFUAEQ-ACJLOTCBSA-N -1 3 396.882 3.366 20 0 GGADHM Cc1cc(C)c(NC(=O)CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826263682 1446506815 /nfs/dbraw/zinc/50/68/15/1446506815.db2.gz MFABXVDVZIHCCC-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM C[C@@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824571673 1446515398 /nfs/dbraw/zinc/51/53/98/1446515398.db2.gz QVTDUZBLTISPQQ-PIGZYNQJSA-N -1 3 390.413 3.238 20 0 GGADHM C[C@@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824571673 1446515400 /nfs/dbraw/zinc/51/54/00/1446515400.db2.gz QVTDUZBLTISPQQ-PIGZYNQJSA-N -1 3 390.413 3.238 20 0 GGADHM Fc1cccc(N2CCN(Cc3coc4ccccc34)CC2)c1-c1nn[n-]n1 ZINC000826377227 1446543491 /nfs/dbraw/zinc/54/34/91/1446543491.db2.gz JSYGJQJCYYAUBA-UHFFFAOYSA-N -1 3 378.411 3.074 20 0 GGADHM C[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824553594 1446560078 /nfs/dbraw/zinc/56/00/78/1446560078.db2.gz DCWLWFKLWISRQJ-MRXNPFEDSA-N -1 3 392.507 3.345 20 0 GGADHM CCOc1c(OC)cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1OC ZINC000825604917 1446569081 /nfs/dbraw/zinc/56/90/81/1446569081.db2.gz LSCWQRGQFGUHLX-UHFFFAOYSA-N -1 3 395.463 3.062 20 0 GGADHM CCOc1ccccc1OCCN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821436569 1446634446 /nfs/dbraw/zinc/63/44/46/1446634446.db2.gz BZPOQWJYPZYMQA-UHFFFAOYSA-N -1 3 379.464 3.309 20 0 GGADHM c1ccc2nc(CN3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)ccc2c1 ZINC000738442548 1446731074 /nfs/dbraw/zinc/73/10/74/1446731074.db2.gz PHWLNIWDBKCLJH-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736233911 1446767196 /nfs/dbraw/zinc/76/71/96/1446767196.db2.gz HDTZGXKELCCMLT-VYDXJSESSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736233911 1446767201 /nfs/dbraw/zinc/76/72/01/1446767201.db2.gz HDTZGXKELCCMLT-VYDXJSESSA-N -1 3 376.464 3.072 20 0 GGADHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820056150 1446770407 /nfs/dbraw/zinc/77/04/07/1446770407.db2.gz NCDNHFMZCRSZCO-HNNXBMFYSA-N -1 3 392.479 3.035 20 0 GGADHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820056150 1446770413 /nfs/dbraw/zinc/77/04/13/1446770413.db2.gz NCDNHFMZCRSZCO-HNNXBMFYSA-N -1 3 392.479 3.035 20 0 GGADHM c1ccc(C[C@H]2CCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823779506 1446807937 /nfs/dbraw/zinc/80/79/37/1446807937.db2.gz FHWLMDZPYXARKK-GOSISDBHSA-N -1 3 387.447 3.124 20 0 GGADHM c1ccc(C[C@H]2CCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823779506 1446807942 /nfs/dbraw/zinc/80/79/42/1446807942.db2.gz FHWLMDZPYXARKK-GOSISDBHSA-N -1 3 387.447 3.124 20 0 GGADHM COc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1-c1nnn[n-]1 ZINC000821805452 1446833074 /nfs/dbraw/zinc/83/30/74/1446833074.db2.gz UNJGNNNYFFBQBH-KRWDZBQOSA-N -1 3 377.448 3.411 20 0 GGADHM COc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1-c1nn[n-]n1 ZINC000821805452 1446833078 /nfs/dbraw/zinc/83/30/78/1446833078.db2.gz UNJGNNNYFFBQBH-KRWDZBQOSA-N -1 3 377.448 3.411 20 0 GGADHM CN(Cc1c[nH]nc1-c1c(F)cccc1F)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825975951 1446855416 /nfs/dbraw/zinc/85/54/16/1446855416.db2.gz CAKYBLAKGROQKU-UHFFFAOYSA-N -1 3 381.390 3.167 20 0 GGADHM CN(Cc1c[nH]nc1-c1c(F)cccc1F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825975951 1446855424 /nfs/dbraw/zinc/85/54/24/1446855424.db2.gz CAKYBLAKGROQKU-UHFFFAOYSA-N -1 3 381.390 3.167 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825139089 1446891891 /nfs/dbraw/zinc/89/18/91/1446891891.db2.gz BLZGPTMXYYZLNR-BBRMVZONSA-N -1 3 382.468 3.453 20 0 GGADHM CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825139089 1446891892 /nfs/dbraw/zinc/89/18/92/1446891892.db2.gz BLZGPTMXYYZLNR-BBRMVZONSA-N -1 3 382.468 3.453 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822199771 1446893613 /nfs/dbraw/zinc/89/36/13/1446893613.db2.gz HCRAAJZSSHSERV-UHFFFAOYSA-N -1 3 386.550 3.398 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822199771 1446893617 /nfs/dbraw/zinc/89/36/17/1446893617.db2.gz HCRAAJZSSHSERV-UHFFFAOYSA-N -1 3 386.550 3.398 20 0 GGADHM CC(C)C[C@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824235289 1446947301 /nfs/dbraw/zinc/94/73/01/1446947301.db2.gz FDPPCIIWHAJOIC-IBGZPJMESA-N -1 3 399.520 3.017 20 0 GGADHM CC(C)C[C@H](NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824235289 1446947304 /nfs/dbraw/zinc/94/73/04/1446947304.db2.gz FDPPCIIWHAJOIC-IBGZPJMESA-N -1 3 399.520 3.017 20 0 GGADHM Clc1cccc(OCCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737573280 1446992415 /nfs/dbraw/zinc/99/24/15/1446992415.db2.gz FNBXDVRXLXKWOM-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM Clc1cccc(OCCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737573280 1446992417 /nfs/dbraw/zinc/99/24/17/1446992417.db2.gz FNBXDVRXLXKWOM-UHFFFAOYSA-N -1 3 399.882 3.442 20 0 GGADHM O=C(C[C@@H]1CCCN1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000822945852 1446996677 /nfs/dbraw/zinc/99/66/77/1446996677.db2.gz SAMORYHLERHQIF-INIZCTEOSA-N -1 3 397.504 3.435 20 0 GGADHM O=C(C[C@@H]1CCCN1CCCOc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000822945852 1446996678 /nfs/dbraw/zinc/99/66/78/1446996678.db2.gz SAMORYHLERHQIF-INIZCTEOSA-N -1 3 397.504 3.435 20 0 GGADHM COc1cccc([C@H]2C[C@@H](C)CN2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826215309 1447013723 /nfs/dbraw/zinc/01/37/23/1447013723.db2.gz LOIRDSASVPXPPV-AUUYWEPGSA-N -1 3 379.464 3.467 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413517 1447024659 /nfs/dbraw/zinc/02/46/59/1447024659.db2.gz RIQOGJPCHQFIOQ-CXAGYDPISA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820413517 1447024664 /nfs/dbraw/zinc/02/46/64/1447024664.db2.gz RIQOGJPCHQFIOQ-CXAGYDPISA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820433530 1447046599 /nfs/dbraw/zinc/04/65/99/1447046599.db2.gz YSWHIJHEQNQXGW-MRXNPFEDSA-N -1 3 390.491 3.344 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820433530 1447046601 /nfs/dbraw/zinc/04/66/01/1447046601.db2.gz YSWHIJHEQNQXGW-MRXNPFEDSA-N -1 3 390.491 3.344 20 0 GGADHM CC[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)[C@@H](O)c1c(F)cccc1F ZINC000825139027 1447051137 /nfs/dbraw/zinc/05/11/37/1447051137.db2.gz AFZDSEZSZGDQNU-AJPKGMEUSA-N -1 3 391.397 3.447 20 0 GGADHM CC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)[C@@H](O)c1c(F)cccc1F ZINC000825139027 1447051144 /nfs/dbraw/zinc/05/11/44/1447051144.db2.gz AFZDSEZSZGDQNU-AJPKGMEUSA-N -1 3 391.397 3.447 20 0 GGADHM C[C@H](COc1ccc(F)cc1F)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824441348 1447109952 /nfs/dbraw/zinc/10/99/52/1447109952.db2.gz OWIXNHURHLINND-MNOVXSKESA-N -1 3 377.370 3.402 20 0 GGADHM C[C@H](COc1ccc(F)cc1F)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824441348 1447109954 /nfs/dbraw/zinc/10/99/54/1447109954.db2.gz OWIXNHURHLINND-MNOVXSKESA-N -1 3 377.370 3.402 20 0 GGADHM C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820433529 1447189927 /nfs/dbraw/zinc/18/99/27/1447189927.db2.gz YSWHIJHEQNQXGW-INIZCTEOSA-N -1 3 390.491 3.344 20 0 GGADHM C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820433529 1447189931 /nfs/dbraw/zinc/18/99/31/1447189931.db2.gz YSWHIJHEQNQXGW-INIZCTEOSA-N -1 3 390.491 3.344 20 0 GGADHM Cc1ccccc1[C@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826306089 1447199511 /nfs/dbraw/zinc/19/95/11/1447199511.db2.gz PYQZTIFLDIVMET-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1ccccc1[C@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826306089 1447199513 /nfs/dbraw/zinc/19/95/13/1447199513.db2.gz PYQZTIFLDIVMET-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM COCCOc1ccccc1CN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826163355 1447234327 /nfs/dbraw/zinc/23/43/27/1447234327.db2.gz QJOQSTODRRIXEW-IBGZPJMESA-N -1 3 379.464 3.059 20 0 GGADHM COCCOc1ccccc1CN[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826163355 1447234330 /nfs/dbraw/zinc/23/43/30/1447234330.db2.gz QJOQSTODRRIXEW-IBGZPJMESA-N -1 3 379.464 3.059 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)N2CCCC2)cc1 ZINC000826284250 1447266402 /nfs/dbraw/zinc/26/64/02/1447266402.db2.gz NXGCGMNHDQWOJJ-HXUWFJFHSA-N -1 3 390.491 3.050 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@]2(CCCOC2)C1 ZINC000823821016 1449018169 /nfs/dbraw/zinc/01/81/69/1449018169.db2.gz NOHGCESCEDEYGD-KRWDZBQOSA-N -1 3 392.301 3.022 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@]2(CCCOC2)C1 ZINC000823821016 1449018173 /nfs/dbraw/zinc/01/81/73/1449018173.db2.gz NOHGCESCEDEYGD-KRWDZBQOSA-N -1 3 392.301 3.022 20 0 GGADHM COCCOc1cc(C)ccc1CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826161168 1449074975 /nfs/dbraw/zinc/07/49/75/1449074975.db2.gz WMCFQXPNPRGYRW-HXUWFJFHSA-N -1 3 393.491 3.368 20 0 GGADHM COCCOc1cc(C)ccc1CN[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826161168 1449074977 /nfs/dbraw/zinc/07/49/77/1449074977.db2.gz WMCFQXPNPRGYRW-HXUWFJFHSA-N -1 3 393.491 3.368 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@H](c3ccsc3)N(C)C)c2c1 ZINC000737248845 1449111503 /nfs/dbraw/zinc/11/15/03/1449111503.db2.gz MXKUDRIPIQVVGZ-QGZVFWFLSA-N -1 3 393.520 3.230 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@H](c3ccsc3)N(C)C)c2c1 ZINC000737248845 1449111508 /nfs/dbraw/zinc/11/15/08/1449111508.db2.gz MXKUDRIPIQVVGZ-QGZVFWFLSA-N -1 3 393.520 3.230 20 0 GGADHM CCC(CC)(CNCc1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000820887381 1449179925 /nfs/dbraw/zinc/17/99/25/1449179925.db2.gz BIXMGHZUXYYYKZ-UHFFFAOYSA-N -1 3 392.479 3.179 20 0 GGADHM CCC(CC)(CNCc1ccc(-c2nnn[n-]2)cc1F)NC(=O)OC(C)(C)C ZINC000820887381 1449179931 /nfs/dbraw/zinc/17/99/31/1449179931.db2.gz BIXMGHZUXYYYKZ-UHFFFAOYSA-N -1 3 392.479 3.179 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582627 1449246454 /nfs/dbraw/zinc/24/64/54/1449246454.db2.gz MDTKEPGJUPGOJC-ZWKOTPCHSA-N -1 3 395.511 3.074 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)C12CCCCC2 ZINC000825582627 1449246460 /nfs/dbraw/zinc/24/64/60/1449246460.db2.gz MDTKEPGJUPGOJC-ZWKOTPCHSA-N -1 3 395.511 3.074 20 0 GGADHM Cc1ccc(N2CCC[C@@H](N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822241046 1449306561 /nfs/dbraw/zinc/30/65/61/1449306561.db2.gz JLYYSUDERPVQFO-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccc(N2CCC[C@@H](N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822241046 1449306565 /nfs/dbraw/zinc/30/65/65/1449306565.db2.gz JLYYSUDERPVQFO-DNVCBOLYSA-N -1 3 376.464 3.021 20 0 GGADHM C[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612675 1449343973 /nfs/dbraw/zinc/34/39/73/1449343973.db2.gz ORIXQJMHNIZNKP-AWEZNQCLSA-N -1 3 377.427 3.101 20 0 GGADHM C[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612675 1449343977 /nfs/dbraw/zinc/34/39/77/1449343977.db2.gz ORIXQJMHNIZNKP-AWEZNQCLSA-N -1 3 377.427 3.101 20 0 GGADHM COc1cc([C@@H](C)NCc2ccnc(-c3nnn[n-]3)c2)ccc1OC1CCCC1 ZINC000826177734 1449422952 /nfs/dbraw/zinc/42/29/52/1449422952.db2.gz SKJHVVXJAFRVBX-CQSZACIVSA-N -1 3 394.479 3.443 20 0 GGADHM COc1cc([C@@H](C)NCc2ccnc(-c3nn[n-]n3)c2)ccc1OC1CCCC1 ZINC000826177734 1449422955 /nfs/dbraw/zinc/42/29/55/1449422955.db2.gz SKJHVVXJAFRVBX-CQSZACIVSA-N -1 3 394.479 3.443 20 0 GGADHM Cc1ccc(C)c(OCCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737327240 1449429510 /nfs/dbraw/zinc/42/95/10/1449429510.db2.gz XTIXOQKJSVIGPN-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM Cc1ccc(C)c(OCCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737327240 1449429513 /nfs/dbraw/zinc/42/95/13/1449429513.db2.gz XTIXOQKJSVIGPN-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM COc1ccc([C@@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000821777670 1449537528 /nfs/dbraw/zinc/53/75/28/1449537528.db2.gz KVHGYSSAOVZGCR-QWHCGFSZSA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc([C@@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000821777670 1449537532 /nfs/dbraw/zinc/53/75/32/1449537532.db2.gz KVHGYSSAOVZGCR-QWHCGFSZSA-N -1 3 380.452 3.246 20 0 GGADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820684383 1449558483 /nfs/dbraw/zinc/55/84/83/1449558483.db2.gz OVNGRJQZFDLISE-GASCZTMLSA-N -1 3 392.463 3.470 20 0 GGADHM C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824545626 1449582879 /nfs/dbraw/zinc/58/28/79/1449582879.db2.gz DLGFSODUDZVTCJ-OCCSQVGLSA-N -1 3 390.463 3.056 20 0 GGADHM C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545626 1449582883 /nfs/dbraw/zinc/58/28/83/1449582883.db2.gz DLGFSODUDZVTCJ-OCCSQVGLSA-N -1 3 390.463 3.056 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000826372991 1449585522 /nfs/dbraw/zinc/58/55/22/1449585522.db2.gz UZMQUUDNSVFLRJ-UHFFFAOYSA-N -1 3 395.364 3.058 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000826372991 1449585527 /nfs/dbraw/zinc/58/55/27/1449585527.db2.gz UZMQUUDNSVFLRJ-UHFFFAOYSA-N -1 3 395.364 3.058 20 0 GGADHM COc1ccc([C@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000821777671 1449634258 /nfs/dbraw/zinc/63/42/58/1449634258.db2.gz KVHGYSSAOVZGCR-STQMWFEESA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc([C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000821777671 1449634265 /nfs/dbraw/zinc/63/42/65/1449634265.db2.gz KVHGYSSAOVZGCR-STQMWFEESA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000826183841 1449640419 /nfs/dbraw/zinc/64/04/19/1449640419.db2.gz BNPHDPXVSGYTKB-OAHLLOKOSA-N -1 3 378.480 3.326 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000826183841 1449640422 /nfs/dbraw/zinc/64/04/22/1449640422.db2.gz BNPHDPXVSGYTKB-OAHLLOKOSA-N -1 3 378.480 3.326 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000822240222 1449650153 /nfs/dbraw/zinc/65/01/53/1449650153.db2.gz XVTCEOVESNPEMJ-KDOFPFPSSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000822240222 1449650157 /nfs/dbraw/zinc/65/01/57/1449650157.db2.gz XVTCEOVESNPEMJ-KDOFPFPSSA-N -1 3 394.454 3.160 20 0 GGADHM C[C@@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824570635 1449717138 /nfs/dbraw/zinc/71/71/38/1449717138.db2.gz NVPRIPDMIRMWLK-QLJPJBMISA-N -1 3 395.360 3.409 20 0 GGADHM C[C@@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824570635 1449717143 /nfs/dbraw/zinc/71/71/43/1449717143.db2.gz NVPRIPDMIRMWLK-QLJPJBMISA-N -1 3 395.360 3.409 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)o1 ZINC000824899741 1449733050 /nfs/dbraw/zinc/73/30/50/1449733050.db2.gz NQRCAMIYZYTKOE-CRAIPNDOSA-N -1 3 378.480 3.295 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000824899741 1449733053 /nfs/dbraw/zinc/73/30/53/1449733053.db2.gz NQRCAMIYZYTKOE-CRAIPNDOSA-N -1 3 378.480 3.295 20 0 GGADHM C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820727019 1449772605 /nfs/dbraw/zinc/77/26/05/1449772605.db2.gz FOUHMGFTZNEAIV-INIZCTEOSA-N -1 3 377.496 3.349 20 0 GGADHM C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820727019 1449772611 /nfs/dbraw/zinc/77/26/11/1449772611.db2.gz FOUHMGFTZNEAIV-INIZCTEOSA-N -1 3 377.496 3.349 20 0 GGADHM CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N(C)C ZINC000735691935 1449784951 /nfs/dbraw/zinc/78/49/51/1449784951.db2.gz RACOBVFXYJQRGP-GOSISDBHSA-N -1 3 380.452 3.184 20 0 GGADHM CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N(C)C ZINC000735691935 1449784955 /nfs/dbraw/zinc/78/49/55/1449784955.db2.gz RACOBVFXYJQRGP-GOSISDBHSA-N -1 3 380.452 3.184 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822237105 1449787782 /nfs/dbraw/zinc/78/77/82/1449787782.db2.gz FJWYSSNIRMIIGV-UHFFFAOYSA-N -1 3 386.550 3.398 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822237105 1449787788 /nfs/dbraw/zinc/78/77/88/1449787788.db2.gz FJWYSSNIRMIIGV-UHFFFAOYSA-N -1 3 386.550 3.398 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736235131 1449808981 /nfs/dbraw/zinc/80/89/81/1449808981.db2.gz MLOIVSJZFUAVHQ-IIDMSEBBSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736235131 1449808986 /nfs/dbraw/zinc/80/89/86/1449808986.db2.gz MLOIVSJZFUAVHQ-IIDMSEBBSA-N -1 3 376.464 3.072 20 0 GGADHM Cc1ccc2[nH]c(CNc3c(-c4nn[n-]n4)cnc4c(C)cc(C)cc43)nc2c1 ZINC000822275883 1449838098 /nfs/dbraw/zinc/83/80/98/1449838098.db2.gz ZCFLIYWKKVBJPJ-UHFFFAOYSA-N -1 3 384.447 3.250 20 0 GGADHM Cc1ccc2nc(CNc3c(-c4nn[n-]n4)cnc4c(C)cc(C)cc43)[nH]c2c1 ZINC000822275883 1449838102 /nfs/dbraw/zinc/83/81/02/1449838102.db2.gz ZCFLIYWKKVBJPJ-UHFFFAOYSA-N -1 3 384.447 3.250 20 0 GGADHM Cc1ccc2[nH]c(CNc3c(-c4nnn[n-]4)cnc4c(C)cc(C)cc43)nc2c1 ZINC000822275883 1449838106 /nfs/dbraw/zinc/83/81/06/1449838106.db2.gz ZCFLIYWKKVBJPJ-UHFFFAOYSA-N -1 3 384.447 3.250 20 0 GGADHM Cc1ccc2nc(CNc3c(-c4nnn[n-]4)cnc4c(C)cc(C)cc43)[nH]c2c1 ZINC000822275883 1449838114 /nfs/dbraw/zinc/83/81/14/1449838114.db2.gz ZCFLIYWKKVBJPJ-UHFFFAOYSA-N -1 3 384.447 3.250 20 0 GGADHM Fc1ccc(CN2CC=C(c3cnc4[nH]cccc3-4)CC2)c(-c2nn[n-]n2)c1 ZINC000737652306 1449925145 /nfs/dbraw/zinc/92/51/45/1449925145.db2.gz WNSWHFSRMYFUFG-UHFFFAOYSA-N -1 3 375.411 3.171 20 0 GGADHM Fc1ccc(CN2CC=C(c3cnc4[nH]cccc3-4)CC2)c(-c2nnn[n-]2)c1 ZINC000737652306 1449925147 /nfs/dbraw/zinc/92/51/47/1449925147.db2.gz WNSWHFSRMYFUFG-UHFFFAOYSA-N -1 3 375.411 3.171 20 0 GGADHM Cc1ccc([C@@H]2CCN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)C2)cc1 ZINC000826285655 1449956925 /nfs/dbraw/zinc/95/69/25/1449956925.db2.gz GBYLJQHSXZTOHG-GOSISDBHSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccc([C@@H]2CCN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)cc1 ZINC000826285655 1449956927 /nfs/dbraw/zinc/95/69/27/1449956927.db2.gz GBYLJQHSXZTOHG-GOSISDBHSA-N -1 3 387.447 3.215 20 0 GGADHM CCC1(CC)CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820958441 1449958180 /nfs/dbraw/zinc/95/81/80/1449958180.db2.gz VKNJXPLUKIYBLN-GFCCVEGCSA-N -1 3 388.541 3.256 20 0 GGADHM CCC1(CC)CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820958441 1449958184 /nfs/dbraw/zinc/95/81/84/1449958184.db2.gz VKNJXPLUKIYBLN-GFCCVEGCSA-N -1 3 388.541 3.256 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@H]2CCOC2)c1 ZINC000826288458 1449995080 /nfs/dbraw/zinc/99/50/80/1449995080.db2.gz IACQNFKRBZWUAI-IRXDYDNUSA-N -1 3 393.491 3.441 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@H]2CCOC2)c1 ZINC000826288458 1449995081 /nfs/dbraw/zinc/99/50/81/1449995081.db2.gz IACQNFKRBZWUAI-IRXDYDNUSA-N -1 3 393.491 3.441 20 0 GGADHM Cc1ccc2ncc(CN(Cc3ccc(-c4nn[n-]n4)cc3)CC(C)C)n2c1 ZINC000826295443 1449999930 /nfs/dbraw/zinc/99/99/30/1449999930.db2.gz HWVQMIKWZKJOIQ-UHFFFAOYSA-N -1 3 375.480 3.481 20 0 GGADHM Cc1ccc2ncc(CN(Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)n2c1 ZINC000826295443 1449999932 /nfs/dbraw/zinc/99/99/32/1449999932.db2.gz HWVQMIKWZKJOIQ-UHFFFAOYSA-N -1 3 375.480 3.481 20 0 GGADHM c1ccc2c(c1)-c1ccccc1C2N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826523172 1450003943 /nfs/dbraw/zinc/00/39/43/1450003943.db2.gz DDOAYLHSUHIRDE-UHFFFAOYSA-N -1 3 395.470 3.154 20 0 GGADHM c1ccc2c(c1)-c1ccccc1C2N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826523172 1450003950 /nfs/dbraw/zinc/00/39/50/1450003950.db2.gz DDOAYLHSUHIRDE-UHFFFAOYSA-N -1 3 395.470 3.154 20 0 GGADHM C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820433676 1450103861 /nfs/dbraw/zinc/10/38/61/1450103861.db2.gz ZZKKKMLUYHYIGM-NSHDSACASA-N -1 3 378.358 3.054 20 0 GGADHM C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820433676 1450103864 /nfs/dbraw/zinc/10/38/64/1450103864.db2.gz ZZKKKMLUYHYIGM-NSHDSACASA-N -1 3 378.358 3.054 20 0 GGADHM CN(CC1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)C(=O)OC(C)(C)C ZINC000825908878 1450136276 /nfs/dbraw/zinc/13/62/76/1450136276.db2.gz NRFOPGZQLQKOEF-UHFFFAOYSA-N -1 3 392.529 3.007 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)c1ccccc1 ZINC000824633985 1450149230 /nfs/dbraw/zinc/14/92/30/1450149230.db2.gz SMDRGKDSUMQHMG-CQSZACIVSA-N -1 3 389.463 3.373 20 0 GGADHM C[C@H](NCC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824554592 1450149327 /nfs/dbraw/zinc/14/93/27/1450149327.db2.gz QSQLGSWDNIGXHO-HNNXBMFYSA-N -1 3 390.491 3.053 20 0 GGADHM C[C@H](NCC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824554592 1450149329 /nfs/dbraw/zinc/14/93/29/1450149329.db2.gz QSQLGSWDNIGXHO-HNNXBMFYSA-N -1 3 390.491 3.053 20 0 GGADHM C[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824562003 1450224378 /nfs/dbraw/zinc/22/43/78/1450224378.db2.gz AREWWRDFSYBRPH-SNVBAGLBSA-N -1 3 391.262 3.463 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826169996 1450243024 /nfs/dbraw/zinc/24/30/24/1450243024.db2.gz LNWSKQXMMCUGSQ-DNVCBOLYSA-N -1 3 379.464 3.133 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826169996 1450243029 /nfs/dbraw/zinc/24/30/29/1450243029.db2.gz LNWSKQXMMCUGSQ-DNVCBOLYSA-N -1 3 379.464 3.133 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC2CCN(c3ccc(N(C)C)cc3)CC2)n1 ZINC000822193102 1450283971 /nfs/dbraw/zinc/28/39/71/1450283971.db2.gz LMAMDSIENDZBPP-UHFFFAOYSA-N -1 3 392.511 3.025 20 0 GGADHM O[C@@H](CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680925 1450291536 /nfs/dbraw/zinc/29/15/36/1450291536.db2.gz BIUCMKVCPPVFOC-SJORKVTESA-N -1 3 392.488 3.347 20 0 GGADHM O[C@@H](CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680925 1450291541 /nfs/dbraw/zinc/29/15/41/1450291541.db2.gz BIUCMKVCPPVFOC-SJORKVTESA-N -1 3 392.488 3.347 20 0 GGADHM C[C@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CCN1Cc1ccccc1 ZINC000820726725 1450326307 /nfs/dbraw/zinc/32/63/07/1450326307.db2.gz BCWFNOSQOPVXCD-AWEZNQCLSA-N -1 3 384.434 3.246 20 0 GGADHM C[C@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CCN1Cc1ccccc1 ZINC000820726725 1450326314 /nfs/dbraw/zinc/32/63/14/1450326314.db2.gz BCWFNOSQOPVXCD-AWEZNQCLSA-N -1 3 384.434 3.246 20 0 GGADHM c1coc([C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)N2CCCCC2)c1 ZINC000738449882 1450343225 /nfs/dbraw/zinc/34/32/25/1450343225.db2.gz XEKHTXCWVABHHA-MRXNPFEDSA-N -1 3 390.451 3.042 20 0 GGADHM CCN(CC)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825411644 1450353034 /nfs/dbraw/zinc/35/30/34/1450353034.db2.gz AHUGAZARYQLFJN-OAHLLOKOSA-N -1 3 378.480 3.053 20 0 GGADHM CCN(CC)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825411644 1450353037 /nfs/dbraw/zinc/35/30/37/1450353037.db2.gz AHUGAZARYQLFJN-OAHLLOKOSA-N -1 3 378.480 3.053 20 0 GGADHM CC(C)CNC(=O)c1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824266573 1450431431 /nfs/dbraw/zinc/43/14/31/1450431431.db2.gz NGDPVEYPOQJBCV-OAHLLOKOSA-N -1 3 378.480 3.103 20 0 GGADHM Cc1cc([C@H](N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262320 1450460622 /nfs/dbraw/zinc/46/06/22/1450460622.db2.gz LTJFLMRRWQVOGY-BFUOFWGJSA-N -1 3 394.454 3.382 20 0 GGADHM Cc1cc([C@H](N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262320 1450460626 /nfs/dbraw/zinc/46/06/26/1450460626.db2.gz LTJFLMRRWQVOGY-BFUOFWGJSA-N -1 3 394.454 3.382 20 0 GGADHM Cc1nc([C@@H]2COCCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)cs1 ZINC001164752806 720863912 /nfs/dbraw/zinc/86/39/12/720863912.db2.gz USKQPJCVWZHFBO-VIFPVBQESA-N -1 3 378.857 3.306 20 0 GGADHM Fc1ccc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000737650407 945106764 /nfs/dbraw/zinc/10/67/64/945106764.db2.gz REIWWPSMRIKQLV-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM Fc1ccc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000737650407 945106774 /nfs/dbraw/zinc/10/67/74/945106774.db2.gz REIWWPSMRIKQLV-QGZVFWFLSA-N -1 3 391.809 3.372 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)N1CCc2ccccc2C1 ZINC000780391052 939114436 /nfs/dbraw/zinc/11/44/36/939114436.db2.gz OZTBREUTPSUMDT-WOJBJXKFSA-N -1 3 387.524 3.156 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000780494902 939128603 /nfs/dbraw/zinc/12/86/03/939128603.db2.gz MOEYTSHUFJWAQD-VQTJNVASSA-N -1 3 381.476 3.257 20 0 GGADHM Cc1ccc(F)cc1NC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900322626 939273402 /nfs/dbraw/zinc/27/34/02/939273402.db2.gz ONWBDJICQDFIFU-OAQYLSRUSA-N -1 3 385.439 3.375 20 0 GGADHM COc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)c1 ZINC000900328913 939274727 /nfs/dbraw/zinc/27/47/27/939274727.db2.gz XTDNHPYZVZUHEZ-QFIPXVFZSA-N -1 3 397.475 3.245 20 0 GGADHM Cc1c(F)cccc1NC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000900327994 939274823 /nfs/dbraw/zinc/27/48/23/939274823.db2.gz HFSXSLBSKNTIBD-OAQYLSRUSA-N -1 3 385.439 3.375 20 0 GGADHM COCc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908621831 939302345 /nfs/dbraw/zinc/30/23/45/939302345.db2.gz VYSMKMJGRUOVFY-QFIPXVFZSA-N -1 3 397.475 3.074 20 0 GGADHM CCOc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000908619869 939302519 /nfs/dbraw/zinc/30/25/19/939302519.db2.gz OXFGNXKLNMKULL-QFIPXVFZSA-N -1 3 397.475 3.326 20 0 GGADHM CCc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908619456 939302533 /nfs/dbraw/zinc/30/25/33/939302533.db2.gz KOBSDLAUVAMDEW-QFIPXVFZSA-N -1 3 381.476 3.490 20 0 GGADHM CN(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000908739571 939307213 /nfs/dbraw/zinc/30/72/13/939307213.db2.gz FZFCBWSKWNITLP-SJORKVTESA-N -1 3 393.846 3.207 20 0 GGADHM O=C([O-])[C@]1(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CCc2ccccc21 ZINC000908750149 939310823 /nfs/dbraw/zinc/31/08/23/939310823.db2.gz AZHYNKIMJMVHEK-UTKZUKDTSA-N -1 3 399.516 3.111 20 0 GGADHM C[C@](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908752377 939311968 /nfs/dbraw/zinc/31/19/68/939311968.db2.gz QBFJJORVOJVRKI-SIKLNZKXSA-N -1 3 381.476 3.123 20 0 GGADHM C[C@@](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908752379 939312219 /nfs/dbraw/zinc/31/22/19/939312219.db2.gz QBFJJORVOJVRKI-UGKGYDQZSA-N -1 3 381.476 3.123 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)N(C)C)cc1 ZINC000908752596 939312260 /nfs/dbraw/zinc/31/22/60/939312260.db2.gz KQUDNPBAWIPBCC-RBUKOAKNSA-N -1 3 387.455 3.116 20 0 GGADHM Cc1cc([C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C(=O)[O-])ccc1F ZINC000908753438 939312481 /nfs/dbraw/zinc/31/24/81/939312481.db2.gz VJAWOMJKDFJQKO-UXHICEINSA-N -1 3 399.466 3.396 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccs2)N(C)C)cc1 ZINC000908753736 939312809 /nfs/dbraw/zinc/31/28/09/939312809.db2.gz OXRRGWADVOWCMY-NVXWUHKLSA-N -1 3 375.494 3.038 20 0 GGADHM Cc1cc([C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C(=O)[O-])ccc1F ZINC000908753439 939312825 /nfs/dbraw/zinc/31/28/25/939312825.db2.gz VJAWOMJKDFJQKO-VQTJNVASSA-N -1 3 399.466 3.396 20 0 GGADHM Cc1cccc([C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908756707 939313607 /nfs/dbraw/zinc/31/36/07/939313607.db2.gz MCKMBXOYWSMFLY-UYAOXDASSA-N -1 3 381.476 3.003 20 0 GGADHM CC(C)(CNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)N1CCc2ccccc2C1 ZINC000908806819 939323838 /nfs/dbraw/zinc/32/38/38/939323838.db2.gz KYONXTXSNHQMHX-QHCPKHFHSA-N -1 3 395.503 3.123 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000908807048 939324024 /nfs/dbraw/zinc/32/40/24/939324024.db2.gz SHBHVIPKHDOZMD-YLJYHZDGSA-N -1 3 389.521 3.430 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)N1CCc2ccccc2C1 ZINC000908810860 939324664 /nfs/dbraw/zinc/32/46/64/939324664.db2.gz ISBGRJKEDWAOPK-SJLPKXTDSA-N -1 3 387.505 3.010 20 0 GGADHM CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)N1CCc2ccccc2C1 ZINC000908810859 939324747 /nfs/dbraw/zinc/32/47/47/939324747.db2.gz ISBGRJKEDWAOPK-FUHWJXTLSA-N -1 3 387.505 3.010 20 0 GGADHM CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)N1CCc2ccccc2C1 ZINC000908810861 939324898 /nfs/dbraw/zinc/32/48/98/939324898.db2.gz ISBGRJKEDWAOPK-WMZOPIPTSA-N -1 3 387.505 3.010 20 0 GGADHM CC[C@](NC(=O)NCCCN1CCc2ccccc2C1)(C(=O)[O-])c1ccccc1 ZINC000908819457 939328283 /nfs/dbraw/zinc/32/82/83/939328283.db2.gz DHLYEVSQMYFDRU-HSZRJFAPSA-N -1 3 395.503 3.124 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908847288 939334941 /nfs/dbraw/zinc/33/49/41/939334941.db2.gz MDZFQOGNSQQFDR-QUCCMNQESA-N -1 3 399.466 3.224 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908847287 939334967 /nfs/dbraw/zinc/33/49/67/939334967.db2.gz MDZFQOGNSQQFDR-ICSRJNTNSA-N -1 3 399.466 3.224 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908847679 939335517 /nfs/dbraw/zinc/33/55/17/939335517.db2.gz RTZCBTYSVBLDPW-FPOVZHCZSA-N -1 3 395.503 3.393 20 0 GGADHM O=C([O-])[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCCC1 ZINC000908847717 939335728 /nfs/dbraw/zinc/33/57/28/939335728.db2.gz SJKPWKDOWGGEEU-VQTJNVASSA-N -1 3 387.524 3.374 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)N(C)C)cc1 ZINC000908857483 939337168 /nfs/dbraw/zinc/33/71/68/939337168.db2.gz ABRKNVGGDGBPPY-UXHICEINSA-N -1 3 383.492 3.340 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000908858089 939337567 /nfs/dbraw/zinc/33/75/67/939337567.db2.gz FTHMLAWPSWIXTN-PMACEKPBSA-N -1 3 383.492 3.340 20 0 GGADHM CC[C@](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)(C(=O)[O-])c1ccccc1 ZINC000908859761 939338625 /nfs/dbraw/zinc/33/86/25/939338625.db2.gz QIGZZVNJTLCDTP-DENIHFKCSA-N -1 3 383.492 3.287 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)N(C)C)cc1 ZINC000908860166 939339350 /nfs/dbraw/zinc/33/93/50/939339350.db2.gz WTKLWERKYMDSPI-OALUTQOASA-N -1 3 387.455 3.170 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908885311 939345051 /nfs/dbraw/zinc/34/50/51/939345051.db2.gz WOWHPLCKHUAWKD-BVZALQNUSA-N -1 3 393.487 3.047 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000908884660 939345242 /nfs/dbraw/zinc/34/52/42/939345242.db2.gz MJRKIFGAVMYRFT-GTCCEBARSA-N -1 3 381.476 3.121 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908885313 939345307 /nfs/dbraw/zinc/34/53/07/939345307.db2.gz WOWHPLCKHUAWKD-ICPLQIHGSA-N -1 3 393.487 3.047 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908902169 939347816 /nfs/dbraw/zinc/34/78/16/939347816.db2.gz VYNBZVBSLKWCBN-NZQKXSOJSA-N -1 3 395.503 3.431 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908902172 939347903 /nfs/dbraw/zinc/34/79/03/939347903.db2.gz VYNBZVBSLKWCBN-REWPJTCUSA-N -1 3 395.503 3.431 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)N2CCCC2)cc1 ZINC000908902543 939348047 /nfs/dbraw/zinc/34/80/47/939348047.db2.gz YKMSILFQOIPHQY-SFGWALBWSA-N -1 3 387.524 3.465 20 0 GGADHM Cc1cc([C@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908988391 939365955 /nfs/dbraw/zinc/36/59/55/939365955.db2.gz LYXRGDGEEKFBHS-BEFAXECRSA-N -1 3 387.455 3.080 20 0 GGADHM CC[C@](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908987802 939366636 /nfs/dbraw/zinc/36/66/36/939366636.db2.gz JFLZVDJNMANHEG-HTAPYJJXSA-N -1 3 383.492 3.196 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])c1 ZINC000908991181 939366913 /nfs/dbraw/zinc/36/69/13/939366913.db2.gz ZRMPRALUBUZTJO-FXAWDEMLSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cccc([C@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])c1C ZINC000908989092 939367440 /nfs/dbraw/zinc/36/74/40/939367440.db2.gz NACDHINKNDELGY-JXFKEZNVSA-N -1 3 383.492 3.249 20 0 GGADHM CCC1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)(C(=O)[O-])CC1 ZINC000908996568 939368333 /nfs/dbraw/zinc/36/83/33/939368333.db2.gz GHMHMZYBHRMWOT-IMYXXEESSA-N -1 3 387.524 3.374 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C(=O)[O-])cc1C ZINC000909000800 939369230 /nfs/dbraw/zinc/36/92/30/939369230.db2.gz CZVBRDKPDPWTCS-UIFIKXQLSA-N -1 3 395.503 3.391 20 0 GGADHM CCC1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)(C(=O)[O-])CC1 ZINC000909000818 939369790 /nfs/dbraw/zinc/36/97/90/939369790.db2.gz DOHZLVGDQWFGKU-BTARREFKSA-N -1 3 387.524 3.372 20 0 GGADHM CC[C@](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909001695 939370235 /nfs/dbraw/zinc/37/02/35/939370235.db2.gz NIBFRWPIIGXGIV-XTQVGHSUSA-N -1 3 395.503 3.339 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C(=O)[O-])c1 ZINC000909002152 939370371 /nfs/dbraw/zinc/37/03/71/939370371.db2.gz PUPOKPRINHOMHF-YYWHXJBOSA-N -1 3 395.503 3.391 20 0 GGADHM CCC1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)(C(=O)[O-])CC1 ZINC000909066514 939375871 /nfs/dbraw/zinc/37/58/71/939375871.db2.gz IHMKYZIYJXPOMM-FDHNLUJUSA-N -1 3 387.524 3.230 20 0 GGADHM CC[C@](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909065614 939375985 /nfs/dbraw/zinc/37/59/85/939375985.db2.gz CJOGHIDITNYABA-XTQVGHSUSA-N -1 3 395.503 3.196 20 0 GGADHM CC[C@](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909065612 939376063 /nfs/dbraw/zinc/37/60/63/939376063.db2.gz CJOGHIDITNYABA-KPDCDPCYSA-N -1 3 395.503 3.196 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[O-])cc1C ZINC000909070862 939377030 /nfs/dbraw/zinc/37/70/30/939377030.db2.gz VWJLJVJARVIJGN-WMQCIHAUSA-N -1 3 395.503 3.249 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000909095130 939379968 /nfs/dbraw/zinc/37/99/68/939379968.db2.gz RYGVBXUAIBAAFH-CVAIRZPRSA-N -1 3 399.466 3.222 20 0 GGADHM CC[C@](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909094247 939380018 /nfs/dbraw/zinc/38/00/18/939380018.db2.gz IMXPDCWZBKCDGR-KPDCDPCYSA-N -1 3 395.503 3.339 20 0 GGADHM CC[C@](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909094245 939380445 /nfs/dbraw/zinc/38/04/45/939380445.db2.gz IMXPDCWZBKCDGR-DHJUGAMNSA-N -1 3 395.503 3.339 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000909095942 939380799 /nfs/dbraw/zinc/38/07/99/939380799.db2.gz ZLRSYIYOCBQUSJ-WMQCIHAUSA-N -1 3 395.503 3.391 20 0 GGADHM O=C(Nc1ccc2scnc2c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738178545 945253469 /nfs/dbraw/zinc/25/34/69/945253469.db2.gz VLGPDGYIAAGWKX-MRXNPFEDSA-N -1 3 391.460 3.084 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000738410220 945265445 /nfs/dbraw/zinc/26/54/45/945265445.db2.gz XAGIGFBLFYLQNN-LRDDRELGSA-N -1 3 384.896 3.438 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000738410220 945265454 /nfs/dbraw/zinc/26/54/54/945265454.db2.gz XAGIGFBLFYLQNN-LRDDRELGSA-N -1 3 384.896 3.438 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000909631811 939723515 /nfs/dbraw/zinc/72/35/15/939723515.db2.gz BXEABYUJWFCLPW-PBHICJAKSA-N -1 3 376.453 3.041 20 0 GGADHM C[C@H]1CC[C@@](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])CC1 ZINC000909949745 939746448 /nfs/dbraw/zinc/74/64/48/939746448.db2.gz JRRTVMBVNJLVTL-QLVMHMETSA-N -1 3 376.472 3.187 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000910093403 939751876 /nfs/dbraw/zinc/75/18/76/939751876.db2.gz LRADPHBISBKIGC-HKUYNNGSSA-N -1 3 376.472 3.187 20 0 GGADHM CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000786710909 945271425 /nfs/dbraw/zinc/27/14/25/945271425.db2.gz NQPXQDQPPNAXQO-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000786710909 945271434 /nfs/dbraw/zinc/27/14/34/945271434.db2.gz NQPXQDQPPNAXQO-UHFFFAOYSA-N -1 3 394.435 3.144 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Cc2coc3ccccc23)CCCN(Cc2ccccc2)C1 ZINC001123278103 939820332 /nfs/dbraw/zinc/82/03/32/939820332.db2.gz RQTOALAECBJMOH-HSZRJFAPSA-N -1 3 392.455 3.211 20 0 GGADHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1Cl ZINC001123371847 939821494 /nfs/dbraw/zinc/82/14/94/939821494.db2.gz ILUHVTOZRLRKIM-OAQYLSRUSA-N -1 3 386.879 3.498 20 0 GGADHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1Cl ZINC001123371846 939821510 /nfs/dbraw/zinc/82/15/10/939821510.db2.gz ILUHVTOZRLRKIM-NRFANRHFSA-N -1 3 386.879 3.498 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cc(F)cc3ccoc32)CCCN(Cc2ccccc2)C1 ZINC001123379475 939824379 /nfs/dbraw/zinc/82/43/79/939824379.db2.gz WVKCZNURLCIJKM-QFIPXVFZSA-N -1 3 396.418 3.421 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000663109032 939855908 /nfs/dbraw/zinc/85/59/08/939855908.db2.gz BJYUWKNQEJGFFK-HOTGVXAUSA-N -1 3 386.414 3.315 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000663109030 939856024 /nfs/dbraw/zinc/85/60/24/939856024.db2.gz BJYUWKNQEJGFFK-CVEARBPZSA-N -1 3 386.414 3.315 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cccc(OC)c1 ZINC000663113644 939856346 /nfs/dbraw/zinc/85/63/46/939856346.db2.gz YHMPQVXGIIHXAB-OALUTQOASA-N -1 3 376.497 3.085 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cccc(OC)c1 ZINC000663113643 939856525 /nfs/dbraw/zinc/85/65/25/939856525.db2.gz YHMPQVXGIIHXAB-MOPGFXCFSA-N -1 3 376.497 3.085 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000819997661 945323530 /nfs/dbraw/zinc/32/35/30/945323530.db2.gz YSMNAODDPWNZTQ-UHFFFAOYSA-N -1 3 377.448 3.087 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000819997661 945323539 /nfs/dbraw/zinc/32/35/39/945323539.db2.gz YSMNAODDPWNZTQ-UHFFFAOYSA-N -1 3 377.448 3.087 20 0 GGADHM CC(C)(NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CC1 ZINC000819987797 945323557 /nfs/dbraw/zinc/32/35/57/945323557.db2.gz MFFFWVAJXZOGFD-UHFFFAOYSA-N -1 3 379.424 3.364 20 0 GGADHM CC(C)(NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CC1 ZINC000819987797 945323565 /nfs/dbraw/zinc/32/35/65/945323565.db2.gz MFFFWVAJXZOGFD-UHFFFAOYSA-N -1 3 379.424 3.364 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1c(F)c(F)cc(F)c1F ZINC000820005033 945326687 /nfs/dbraw/zinc/32/66/87/945326687.db2.gz JMXWRRSUKSATKL-UHFFFAOYSA-N -1 3 396.300 3.186 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1c(F)c(F)cc(F)c1F ZINC000820005033 945326694 /nfs/dbraw/zinc/32/66/94/945326694.db2.gz JMXWRRSUKSATKL-UHFFFAOYSA-N -1 3 396.300 3.186 20 0 GGADHM O=C([O-])c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000323131361 970969017 /nfs/dbraw/zinc/96/90/17/970969017.db2.gz RPENDMQQBIVTKH-UHFFFAOYSA-N -1 3 379.210 3.388 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000323331355 970990679 /nfs/dbraw/zinc/99/06/79/970990679.db2.gz MJVBTMYGOPVDBT-GOSISDBHSA-N -1 3 375.513 3.185 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cccc(F)c1I ZINC001601659718 971038371 /nfs/dbraw/zinc/03/83/71/971038371.db2.gz KBUYAUYOXGMNHL-CQSZACIVSA-N -1 3 399.203 3.216 20 0 GGADHM O=C([O-])CC1(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCCCC1 ZINC001601926437 971088594 /nfs/dbraw/zinc/08/85/94/971088594.db2.gz QHSQZKBIPFICJQ-QGZVFWFLSA-N -1 3 394.462 3.438 20 0 GGADHM Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000463731484 944633468 /nfs/dbraw/zinc/63/34/68/944633468.db2.gz XRKXJCCUZYIUBZ-UHFFFAOYSA-N -1 3 391.460 3.312 20 0 GGADHM Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000463731484 944633474 /nfs/dbraw/zinc/63/34/74/944633474.db2.gz XRKXJCCUZYIUBZ-UHFFFAOYSA-N -1 3 391.460 3.312 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1Cl ZINC000540704845 944636906 /nfs/dbraw/zinc/63/69/06/944636906.db2.gz CIRIIMNDKFXOEN-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1Cl ZINC000540704845 944636913 /nfs/dbraw/zinc/63/69/13/944636913.db2.gz CIRIIMNDKFXOEN-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1cccc(F)c1 ZINC000542337533 944637475 /nfs/dbraw/zinc/63/74/75/944637475.db2.gz CLSQZIRNLVYXNR-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1cccc(F)c1 ZINC000542337533 944637481 /nfs/dbraw/zinc/63/74/81/944637481.db2.gz CLSQZIRNLVYXNR-UHFFFAOYSA-N -1 3 391.410 3.396 20 0 GGADHM CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000621116721 944640144 /nfs/dbraw/zinc/64/01/44/944640144.db2.gz VQZSSDSCBXOJNL-NSHDSACASA-N -1 3 391.884 3.122 20 0 GGADHM CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000621116721 944640151 /nfs/dbraw/zinc/64/01/51/944640151.db2.gz VQZSSDSCBXOJNL-NSHDSACASA-N -1 3 391.884 3.122 20 0 GGADHM CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735803555 944704540 /nfs/dbraw/zinc/70/45/40/944704540.db2.gz HEASBHWOWBWKCI-UHFFFAOYSA-N -1 3 383.493 3.089 20 0 GGADHM C[C@H](CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735986833 944731930 /nfs/dbraw/zinc/73/19/30/944731930.db2.gz QFLIZRQNMNTRQS-OXQOHEQNSA-N -1 3 390.491 3.146 20 0 GGADHM C[C@@]1(CNC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCOC1 ZINC000736217394 944766132 /nfs/dbraw/zinc/76/61/32/944766132.db2.gz UUDMVZHKIUHLIC-FQEVSTJZSA-N -1 3 395.488 3.174 20 0 GGADHM C[C@@]1(CNC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCOC1 ZINC000736217394 944766143 /nfs/dbraw/zinc/76/61/43/944766143.db2.gz UUDMVZHKIUHLIC-FQEVSTJZSA-N -1 3 395.488 3.174 20 0 GGADHM CCCC1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736436299 944821368 /nfs/dbraw/zinc/82/13/68/944821368.db2.gz QIZRGOHJWMNMLW-GXOAENINSA-N -1 3 382.512 3.311 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1OC(F)F ZINC000736635417 944859836 /nfs/dbraw/zinc/85/98/36/944859836.db2.gz SYEUEVNZTMXQSS-UHFFFAOYSA-N -1 3 381.364 3.181 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1OC(F)F ZINC000736635417 944859840 /nfs/dbraw/zinc/85/98/40/944859840.db2.gz SYEUEVNZTMXQSS-UHFFFAOYSA-N -1 3 381.364 3.181 20 0 GGADHM CCc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cn2)c1 ZINC000736698475 944872063 /nfs/dbraw/zinc/87/20/63/944872063.db2.gz IGPAITCBAVIEBT-UHFFFAOYSA-N -1 3 387.403 3.264 20 0 GGADHM CCc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cn2)c1 ZINC000736698475 944872067 /nfs/dbraw/zinc/87/20/67/944872067.db2.gz IGPAITCBAVIEBT-UHFFFAOYSA-N -1 3 387.403 3.264 20 0 GGADHM CN(C(=O)CCCOc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733231 944881607 /nfs/dbraw/zinc/88/16/07/944881607.db2.gz QESCTNDFDYHTKJ-UHFFFAOYSA-N -1 3 391.353 3.106 20 0 GGADHM CN(C(=O)CCCOc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733231 944881615 /nfs/dbraw/zinc/88/16/15/944881615.db2.gz QESCTNDFDYHTKJ-UHFFFAOYSA-N -1 3 391.353 3.106 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000736814978 944892867 /nfs/dbraw/zinc/89/28/67/944892867.db2.gz ODGCUBBVYONGHO-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000736814978 944892872 /nfs/dbraw/zinc/89/28/72/944892872.db2.gz ODGCUBBVYONGHO-UHFFFAOYSA-N -1 3 391.859 3.410 20 0 GGADHM COC[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000736977259 944925144 /nfs/dbraw/zinc/92/51/44/944925144.db2.gz JSADPJKPEODDOH-OAHLLOKOSA-N -1 3 377.448 3.032 20 0 GGADHM COC[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000736977259 944925149 /nfs/dbraw/zinc/92/51/49/944925149.db2.gz JSADPJKPEODDOH-OAHLLOKOSA-N -1 3 377.448 3.032 20 0 GGADHM COCCN(C(=O)CC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987886 944929816 /nfs/dbraw/zinc/92/98/16/944929816.db2.gz GWRMCJRMAAQNIE-WEVVVXLNSA-N -1 3 377.448 3.340 20 0 GGADHM COCCN(C(=O)CC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987886 944929821 /nfs/dbraw/zinc/92/98/21/944929821.db2.gz GWRMCJRMAAQNIE-WEVVVXLNSA-N -1 3 377.448 3.340 20 0 GGADHM Cc1ccc(C(C)(C)C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000737318039 945037669 /nfs/dbraw/zinc/03/76/69/945037669.db2.gz RMJDNNKCZXTAQN-UHFFFAOYSA-N -1 3 375.432 3.449 20 0 GGADHM Cc1ccc(C(C)(C)C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000737318039 945037680 /nfs/dbraw/zinc/03/76/80/945037680.db2.gz RMJDNNKCZXTAQN-UHFFFAOYSA-N -1 3 375.432 3.449 20 0 GGADHM C[C@H](CC(=O)c1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820226716 945389142 /nfs/dbraw/zinc/38/91/42/945389142.db2.gz XARZOKVNJWFSDG-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)c1ccccc1F)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820226716 945389147 /nfs/dbraw/zinc/38/91/47/945389147.db2.gz XARZOKVNJWFSDG-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341217 945418830 /nfs/dbraw/zinc/41/88/30/945418830.db2.gz ORXHCAGAONTXMR-GFCCVEGCSA-N -1 3 398.417 3.090 20 0 GGADHM C[C@@H](NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341217 945418835 /nfs/dbraw/zinc/41/88/35/945418835.db2.gz ORXHCAGAONTXMR-GFCCVEGCSA-N -1 3 398.417 3.090 20 0 GGADHM C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455684 945455136 /nfs/dbraw/zinc/45/51/36/945455136.db2.gz LLDQNNRDXUERGK-JTQLQIEISA-N -1 3 397.382 3.333 20 0 GGADHM C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455684 945455139 /nfs/dbraw/zinc/45/51/39/945455139.db2.gz LLDQNNRDXUERGK-JTQLQIEISA-N -1 3 397.382 3.333 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000820524852 945475424 /nfs/dbraw/zinc/47/54/24/945475424.db2.gz BDHKJBICDYBFJE-BZNIZROVSA-N -1 3 399.451 3.126 20 0 GGADHM C[C@@H]1C[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000820669187 945519690 /nfs/dbraw/zinc/51/96/90/945519690.db2.gz ZQIDZDVUNGATBU-GDBMZVCRSA-N -1 3 384.528 3.455 20 0 GGADHM C[C@@H]1C[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000820669187 945519699 /nfs/dbraw/zinc/51/96/99/945519699.db2.gz ZQIDZDVUNGATBU-GDBMZVCRSA-N -1 3 384.528 3.455 20 0 GGADHM CCn1nc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1C1CC1 ZINC000821568430 945718839 /nfs/dbraw/zinc/71/88/39/945718839.db2.gz UAAVBDUJDSBJIW-GOSISDBHSA-N -1 3 395.467 3.003 20 0 GGADHM CCn1nc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1C1CC1 ZINC000821568430 945718844 /nfs/dbraw/zinc/71/88/44/945718844.db2.gz UAAVBDUJDSBJIW-GOSISDBHSA-N -1 3 395.467 3.003 20 0 GGADHM COC(=O)c1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)s1 ZINC000821666734 945786410 /nfs/dbraw/zinc/78/64/10/945786410.db2.gz BMJYGSUKYMMHSG-UHFFFAOYSA-N -1 3 383.477 3.188 20 0 GGADHM COCCCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821688253 945813586 /nfs/dbraw/zinc/81/35/86/945813586.db2.gz DOKPWEJRPZYRAL-CQSZACIVSA-N -1 3 382.420 3.200 20 0 GGADHM COCCCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821688253 945813603 /nfs/dbraw/zinc/81/36/03/945813603.db2.gz DOKPWEJRPZYRAL-CQSZACIVSA-N -1 3 382.420 3.200 20 0 GGADHM COc1cc(C)ccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821708369 945840002 /nfs/dbraw/zinc/84/00/02/945840002.db2.gz OCBJZZPHOLLPFB-UHFFFAOYSA-N -1 3 382.374 3.044 20 0 GGADHM COc1cc(C)ccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821708369 945840019 /nfs/dbraw/zinc/84/00/19/945840019.db2.gz OCBJZZPHOLLPFB-UHFFFAOYSA-N -1 3 382.374 3.044 20 0 GGADHM CSc1ccc(F)cc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821983979 945915288 /nfs/dbraw/zinc/91/52/88/945915288.db2.gz LBLFXFPCENOZDY-NSHDSACASA-N -1 3 386.456 3.288 20 0 GGADHM CSc1ccc(F)cc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821983979 945915298 /nfs/dbraw/zinc/91/52/98/945915298.db2.gz LBLFXFPCENOZDY-NSHDSACASA-N -1 3 386.456 3.288 20 0 GGADHM Cc1cc(C(=O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)n1C1CC1 ZINC000822161679 945966704 /nfs/dbraw/zinc/96/67/04/945966704.db2.gz SKAMHXGPTIIKOW-UHFFFAOYSA-N -1 3 390.491 3.467 20 0 GGADHM Cc1cc(C(=O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)n1C1CC1 ZINC000822161679 945966718 /nfs/dbraw/zinc/96/67/18/945966718.db2.gz SKAMHXGPTIIKOW-UHFFFAOYSA-N -1 3 390.491 3.467 20 0 GGADHM Cc1sc(NC(=O)CN(C)C[C@@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822557071 946122796 /nfs/dbraw/zinc/12/27/96/946122796.db2.gz GKLPXOVWKUQTNV-GFCCVEGCSA-N -1 3 384.509 3.219 20 0 GGADHM Cc1onc(-c2ccncc2)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822554094 946123461 /nfs/dbraw/zinc/12/34/61/946123461.db2.gz UGLRVGKCHOPPPS-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM Cc1onc(-c2ccncc2)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822554094 946123469 /nfs/dbraw/zinc/12/34/69/946123469.db2.gz UGLRVGKCHOPPPS-LLVKDONJSA-N -1 3 376.376 3.143 20 0 GGADHM Fc1ccc2c(c1)CCCN2Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822786117 946171778 /nfs/dbraw/zinc/17/17/78/946171778.db2.gz DQTKJXWZLSRXBP-UHFFFAOYSA-N -1 3 377.383 3.009 20 0 GGADHM Fc1ccc2c(c1)CCCN2Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822786117 946171786 /nfs/dbraw/zinc/17/17/86/946171786.db2.gz DQTKJXWZLSRXBP-UHFFFAOYSA-N -1 3 377.383 3.009 20 0 GGADHM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974545 946241104 /nfs/dbraw/zinc/24/11/04/946241104.db2.gz RAJICLRSDDXFAI-UHFFFAOYSA-N -1 3 379.754 3.206 20 0 GGADHM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974545 946241111 /nfs/dbraw/zinc/24/11/11/946241111.db2.gz RAJICLRSDDXFAI-UHFFFAOYSA-N -1 3 379.754 3.206 20 0 GGADHM Brc1ccc(NCc2ccc(-n3ccnc3)cc2)c(-c2nnn[n-]2)c1 ZINC000823831976 946488075 /nfs/dbraw/zinc/48/80/75/946488075.db2.gz HQJWQXVSTFIAIU-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM Brc1ccc(NCc2ccc(-n3ccnc3)cc2)c(-c2nn[n-]n2)c1 ZINC000823831976 946488081 /nfs/dbraw/zinc/48/80/81/946488081.db2.gz HQJWQXVSTFIAIU-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM Brc1ccc(NC[C@H]2OCCc3sccc32)c(-c2nnn[n-]2)c1 ZINC000823832327 946489048 /nfs/dbraw/zinc/48/90/48/946489048.db2.gz MJKINIWNCSLLHZ-CYBMUJFWSA-N -1 3 392.282 3.417 20 0 GGADHM Brc1ccc(NC[C@H]2OCCc3sccc32)c(-c2nn[n-]n2)c1 ZINC000823832327 946489058 /nfs/dbraw/zinc/48/90/58/946489058.db2.gz MJKINIWNCSLLHZ-CYBMUJFWSA-N -1 3 392.282 3.417 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823942631 946522895 /nfs/dbraw/zinc/52/28/95/946522895.db2.gz HEVADTNNIPFEJP-IKESIWSLSA-N -1 3 391.431 3.149 20 0 GGADHM CC(=Cc1ccc(C)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823942631 946522904 /nfs/dbraw/zinc/52/29/04/946522904.db2.gz HEVADTNNIPFEJP-IKESIWSLSA-N -1 3 391.431 3.149 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000824014561 946551239 /nfs/dbraw/zinc/55/12/39/946551239.db2.gz KVBLZUDLCCBGIB-CQSZACIVSA-N -1 3 380.427 3.147 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000824014561 946551250 /nfs/dbraw/zinc/55/12/50/946551250.db2.gz KVBLZUDLCCBGIB-CQSZACIVSA-N -1 3 380.427 3.147 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCc2nc(C(F)(F)F)cs2)c1 ZINC000824015443 946556481 /nfs/dbraw/zinc/55/64/81/946556481.db2.gz VKUBCWBZLRYNRI-UHFFFAOYSA-N -1 3 382.371 3.199 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCc2nc(C(F)(F)F)cs2)c1 ZINC000824015443 946556492 /nfs/dbraw/zinc/55/64/92/946556492.db2.gz VKUBCWBZLRYNRI-UHFFFAOYSA-N -1 3 382.371 3.199 20 0 GGADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C1CCCC1 ZINC000824044990 946563559 /nfs/dbraw/zinc/56/35/59/946563559.db2.gz CKJJKUNDHXSDGB-LLVKDONJSA-N -1 3 385.859 3.471 20 0 GGADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C1CCCC1 ZINC000824044990 946563568 /nfs/dbraw/zinc/56/35/68/946563568.db2.gz CKJJKUNDHXSDGB-LLVKDONJSA-N -1 3 385.859 3.471 20 0 GGADHM CC(C)(C)c1nc2cc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)ccc2[nH]1 ZINC000824142035 946602512 /nfs/dbraw/zinc/60/25/12/946602512.db2.gz RIDGBCAIGMZHNW-UHFFFAOYSA-N -1 3 396.842 3.341 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1N1CCO[C@@H](c2ccccc2)C1 ZINC001573279028 946627571 /nfs/dbraw/zinc/62/75/71/946627571.db2.gz BGMLCXRPPVPQKY-OAHLLOKOSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1N1CCO[C@@H](c2ccccc2)C1 ZINC001573279028 946627579 /nfs/dbraw/zinc/62/75/79/946627579.db2.gz BGMLCXRPPVPQKY-OAHLLOKOSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1cc(N2CC[C@@]3(CNc4ccccc43)C2)ccc1-c1nnn[n-]1 ZINC001573279086 946630791 /nfs/dbraw/zinc/63/07/91/946630791.db2.gz DTAJRYWHXAQQHG-GOSISDBHSA-N -1 3 397.280 3.203 20 0 GGADHM Brc1cc(N2CC[C@@]3(CNc4ccccc43)C2)ccc1-c1nn[n-]n1 ZINC001573279086 946630797 /nfs/dbraw/zinc/63/07/97/946630797.db2.gz DTAJRYWHXAQQHG-GOSISDBHSA-N -1 3 397.280 3.203 20 0 GGADHM Brc1cccc(-c2nnn[n-]2)c1N1CCC[C@]2(CCSC2)C1 ZINC001573279304 946637582 /nfs/dbraw/zinc/63/75/82/946637582.db2.gz HJBFDKWCLKXXEC-HNNXBMFYSA-N -1 3 380.315 3.353 20 0 GGADHM Brc1cccc(-c2nn[n-]n2)c1N1CCC[C@]2(CCSC2)C1 ZINC001573279304 946637584 /nfs/dbraw/zinc/63/75/84/946637584.db2.gz HJBFDKWCLKXXEC-HNNXBMFYSA-N -1 3 380.315 3.353 20 0 GGADHM Brc1ccc2c(c1)C1(CCC1)CN2Cc1cncc(-c2nnn[n-]2)c1 ZINC001573279495 946641380 /nfs/dbraw/zinc/64/13/80/946641380.db2.gz JGLSXRNPCQPMLS-UHFFFAOYSA-N -1 3 397.280 3.466 20 0 GGADHM Brc1ccc2c(c1)C1(CCC1)CN2Cc1cncc(-c2nn[n-]n2)c1 ZINC001573279495 946641385 /nfs/dbraw/zinc/64/13/85/946641385.db2.gz JGLSXRNPCQPMLS-UHFFFAOYSA-N -1 3 397.280 3.466 20 0 GGADHM Brc1cnc(NCc2cc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC001573279567 946642732 /nfs/dbraw/zinc/64/27/32/946642732.db2.gz IYZWMGXMHGERQM-UHFFFAOYSA-N -1 3 398.224 3.291 20 0 GGADHM Brc1cnc(NCc2cc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC001573279567 946642738 /nfs/dbraw/zinc/64/27/38/946642738.db2.gz IYZWMGXMHGERQM-UHFFFAOYSA-N -1 3 398.224 3.291 20 0 GGADHM Brc1cnc(NC2CC(Nc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC001573279555 946642859 /nfs/dbraw/zinc/64/28/59/946642859.db2.gz KFMXBDUPIKGJTM-UHFFFAOYSA-N -1 3 386.257 3.079 20 0 GGADHM Brc1cnc(NC2CC(Nc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC001573279555 946642864 /nfs/dbraw/zinc/64/28/64/946642864.db2.gz KFMXBDUPIKGJTM-UHFFFAOYSA-N -1 3 386.257 3.079 20 0 GGADHM Brc1cnc(N2CC[C@H](C3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001573279788 946648699 /nfs/dbraw/zinc/64/86/99/946648699.db2.gz NBTFKRCYXKYFOU-LBPRGKRZSA-N -1 3 377.290 3.431 20 0 GGADHM Brc1cnc(N2CC[C@H](C3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001573279788 946648707 /nfs/dbraw/zinc/64/87/07/946648707.db2.gz NBTFKRCYXKYFOU-LBPRGKRZSA-N -1 3 377.290 3.431 20 0 GGADHM Brc1cnc(N2CCC[C@@H](Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC001573280010 946652860 /nfs/dbraw/zinc/65/28/60/946652860.db2.gz PGIOQYFRHYTYOB-AWEZNQCLSA-N -1 3 399.296 3.483 20 0 GGADHM Brc1cnc(N2CCC[C@@H](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC001573280010 946652863 /nfs/dbraw/zinc/65/28/63/946652863.db2.gz PGIOQYFRHYTYOB-AWEZNQCLSA-N -1 3 399.296 3.483 20 0 GGADHM Brc1cnc(N2CCC[C@H](Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC001573280015 946653150 /nfs/dbraw/zinc/65/31/50/946653150.db2.gz PGIOQYFRHYTYOB-CQSZACIVSA-N -1 3 399.296 3.483 20 0 GGADHM Brc1cnc(N2CCC[C@H](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC001573280015 946653156 /nfs/dbraw/zinc/65/31/56/946653156.db2.gz PGIOQYFRHYTYOB-CQSZACIVSA-N -1 3 399.296 3.483 20 0 GGADHM Brc1cnc(NCC2(Cc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC001573280413 946662209 /nfs/dbraw/zinc/66/22/09/946662209.db2.gz PMBFPYKFLQSZIU-UHFFFAOYSA-N -1 3 385.269 3.459 20 0 GGADHM Brc1cnc(NCC2(Cc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC001573280413 946662219 /nfs/dbraw/zinc/66/22/19/946662219.db2.gz PMBFPYKFLQSZIU-UHFFFAOYSA-N -1 3 385.269 3.459 20 0 GGADHM CC(C)c1cnc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824353246 946667923 /nfs/dbraw/zinc/66/79/23/946667923.db2.gz ZNQUJSSMCFNGAY-UHFFFAOYSA-N -1 3 389.506 3.423 20 0 GGADHM CC(C)c1cnc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824353246 946667932 /nfs/dbraw/zinc/66/79/32/946667932.db2.gz ZNQUJSSMCFNGAY-UHFFFAOYSA-N -1 3 389.506 3.423 20 0 GGADHM CC(C)c1cnc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824352825 946667940 /nfs/dbraw/zinc/66/79/40/946667940.db2.gz PIMCIEQILKKORH-OAHLLOKOSA-N -1 3 398.492 3.159 20 0 GGADHM Brc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)cn1)CSC2 ZINC001573280706 946668080 /nfs/dbraw/zinc/66/80/80/946668080.db2.gz YOUGWWLPDRFELF-ZDUSSCGKSA-N -1 3 389.282 3.424 20 0 GGADHM Brc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)cn1)CSC2 ZINC001573280706 946668084 /nfs/dbraw/zinc/66/80/84/946668084.db2.gz YOUGWWLPDRFELF-ZDUSSCGKSA-N -1 3 389.282 3.424 20 0 GGADHM CC(C)c1nnc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC000824364445 946670731 /nfs/dbraw/zinc/67/07/31/946670731.db2.gz GZHOOHHXPPPDNE-LBPRGKRZSA-N -1 3 383.403 3.235 20 0 GGADHM CC(C)c1nnc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC000824364445 946670739 /nfs/dbraw/zinc/67/07/39/946670739.db2.gz GZHOOHHXPPPDNE-LBPRGKRZSA-N -1 3 383.403 3.235 20 0 GGADHM C[C@H](NC(=O)[C@@]1(C)CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470247 946718950 /nfs/dbraw/zinc/71/89/50/946718950.db2.gz GVGHNKSJHRGRTB-LHSJRXKWSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@H](NC(=O)[C@@]1(C)CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470247 946718954 /nfs/dbraw/zinc/71/89/54/946718954.db2.gz GVGHNKSJHRGRTB-LHSJRXKWSA-N -1 3 377.448 3.280 20 0 GGADHM C[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470499 946723426 /nfs/dbraw/zinc/72/34/26/946723426.db2.gz IYURZNCUHKJFET-KSMMKXTCSA-N -1 3 377.448 3.136 20 0 GGADHM C[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470499 946723432 /nfs/dbraw/zinc/72/34/32/946723432.db2.gz IYURZNCUHKJFET-KSMMKXTCSA-N -1 3 377.448 3.136 20 0 GGADHM C[C@H](NC(=O)C[C@H]1CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480450 946733360 /nfs/dbraw/zinc/73/33/60/946733360.db2.gz WFQRWFTUNMNBFM-LSDHHAIUSA-N -1 3 377.448 3.138 20 0 GGADHM C[C@H](NC(=O)C[C@H]1CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480450 946733370 /nfs/dbraw/zinc/73/33/70/946733370.db2.gz WFQRWFTUNMNBFM-LSDHHAIUSA-N -1 3 377.448 3.138 20 0 GGADHM C[C@@H](NC(=O)N1CCOC[C@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487869 946735259 /nfs/dbraw/zinc/73/52/59/946735259.db2.gz CVKQHHUIUPTLGF-HUUCEWRRSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@@H](NC(=O)N1CCOC[C@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487869 946735275 /nfs/dbraw/zinc/73/52/75/946735275.db2.gz CVKQHHUIUPTLGF-HUUCEWRRSA-N -1 3 392.463 3.025 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)C(C)(C)O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824491202 946739176 /nfs/dbraw/zinc/73/91/76/946739176.db2.gz SJZYQWIFDUIPEC-KGLIPLIRSA-N -1 3 394.479 3.053 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)C(C)(C)O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824491202 946739187 /nfs/dbraw/zinc/73/91/87/946739187.db2.gz SJZYQWIFDUIPEC-KGLIPLIRSA-N -1 3 394.479 3.053 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500702 946749356 /nfs/dbraw/zinc/74/93/56/946749356.db2.gz ZGNWNEDMVNAOOI-IFXJQAMLSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500702 946749361 /nfs/dbraw/zinc/74/93/61/946749361.db2.gz ZGNWNEDMVNAOOI-IFXJQAMLSA-N -1 3 392.463 3.073 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824506425 946751352 /nfs/dbraw/zinc/75/13/52/946751352.db2.gz OIYCUTJLWLWDTR-LLVKDONJSA-N -1 3 397.439 3.033 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824506425 946751361 /nfs/dbraw/zinc/75/13/61/946751361.db2.gz OIYCUTJLWLWDTR-LLVKDONJSA-N -1 3 397.439 3.033 20 0 GGADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000824520967 946756981 /nfs/dbraw/zinc/75/69/81/946756981.db2.gz GTMQUQGOOMFWPG-CQSZACIVSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000824520967 946756987 /nfs/dbraw/zinc/75/69/87/946756987.db2.gz GTMQUQGOOMFWPG-CQSZACIVSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC000824522092 946761148 /nfs/dbraw/zinc/76/11/48/946761148.db2.gz PZOLYIGTSOPTRY-GFCCVEGCSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000824522092 946761153 /nfs/dbraw/zinc/76/11/53/946761153.db2.gz PZOLYIGTSOPTRY-GFCCVEGCSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1noc(Cc2ccccc2)n1 ZINC000824529576 946766632 /nfs/dbraw/zinc/76/66/32/946766632.db2.gz HDMVDQJWPVXIBE-KBPBESRZSA-N -1 3 375.436 3.252 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1noc(Cc2ccccc2)n1 ZINC000824529576 946766638 /nfs/dbraw/zinc/76/66/38/946766638.db2.gz HDMVDQJWPVXIBE-KBPBESRZSA-N -1 3 375.436 3.252 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC001573550556 946865674 /nfs/dbraw/zinc/86/56/74/946865674.db2.gz BIKRFHSXQHYCJT-UHFFFAOYSA-N -1 3 379.420 3.210 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC001573550556 946865680 /nfs/dbraw/zinc/86/56/80/946865680.db2.gz BIKRFHSXQHYCJT-UHFFFAOYSA-N -1 3 379.420 3.210 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001573550662 946866428 /nfs/dbraw/zinc/86/64/28/946866428.db2.gz CYUCYRWIMIBYCL-YPMHNXCESA-N -1 3 381.358 3.377 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001573550662 946866433 /nfs/dbraw/zinc/86/64/33/946866433.db2.gz CYUCYRWIMIBYCL-YPMHNXCESA-N -1 3 381.358 3.377 20 0 GGADHM C[C@H](NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627662 946875373 /nfs/dbraw/zinc/87/53/73/946875373.db2.gz ZZWUYLQQCPRSQM-JTQLQIEISA-N -1 3 396.348 3.193 20 0 GGADHM C[C@H](NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627662 946875387 /nfs/dbraw/zinc/87/53/87/946875387.db2.gz ZZWUYLQQCPRSQM-JTQLQIEISA-N -1 3 396.348 3.193 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC001573552493 946876826 /nfs/dbraw/zinc/87/68/26/946876826.db2.gz QANALQPIUIGVKB-UHFFFAOYSA-N -1 3 385.374 3.309 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC001573552493 946876833 /nfs/dbraw/zinc/87/68/33/946876833.db2.gz QANALQPIUIGVKB-UHFFFAOYSA-N -1 3 385.374 3.309 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc2c(ccnc2Cl)o1 ZINC001573552836 946880167 /nfs/dbraw/zinc/88/01/67/946880167.db2.gz BKGNGQOSUZMONG-UHFFFAOYSA-N -1 3 382.767 3.116 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc2c(ccnc2Cl)o1 ZINC001573552836 946880177 /nfs/dbraw/zinc/88/01/77/946880177.db2.gz BKGNGQOSUZMONG-UHFFFAOYSA-N -1 3 382.767 3.116 20 0 GGADHM CC(=O)c1ccc(Br)c(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001573552938 946882319 /nfs/dbraw/zinc/88/23/19/946882319.db2.gz BXMKREPDDKOBIR-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824654973 946885529 /nfs/dbraw/zinc/88/55/29/946885529.db2.gz ANOKVZAUVNJWLX-BZNIZROVSA-N -1 3 377.370 3.290 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824654973 946885543 /nfs/dbraw/zinc/88/55/43/946885543.db2.gz ANOKVZAUVNJWLX-BZNIZROVSA-N -1 3 377.370 3.290 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(OC(F)F)cc1F ZINC001573553575 946887696 /nfs/dbraw/zinc/88/76/96/946887696.db2.gz HGDMWSVOPPMOIE-UHFFFAOYSA-N -1 3 391.309 3.062 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(OC(F)F)cc1F ZINC001573553575 946887710 /nfs/dbraw/zinc/88/77/10/946887710.db2.gz HGDMWSVOPPMOIE-UHFFFAOYSA-N -1 3 391.309 3.062 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cnc(CC(C)(C)C)s1 ZINC001573554500 946899964 /nfs/dbraw/zinc/89/99/64/946899964.db2.gz VPERQHQPHQOHIC-UHFFFAOYSA-N -1 3 384.465 3.367 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cnc(CC(C)(C)C)s1 ZINC001573554500 946899981 /nfs/dbraw/zinc/89/99/81/946899981.db2.gz VPERQHQPHQOHIC-UHFFFAOYSA-N -1 3 384.465 3.367 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cscc1C(F)(F)F ZINC001573554663 946902871 /nfs/dbraw/zinc/90/28/71/946902871.db2.gz ZIRRBGPXHHPIRN-UHFFFAOYSA-N -1 3 381.339 3.402 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cscc1C(F)(F)F ZINC001573554663 946902881 /nfs/dbraw/zinc/90/28/81/946902881.db2.gz ZIRRBGPXHHPIRN-UHFFFAOYSA-N -1 3 381.339 3.402 20 0 GGADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1nnc(-c2ccccc2)s1 ZINC001573555238 946906307 /nfs/dbraw/zinc/90/63/07/946906307.db2.gz HNZWSEGJCHBZFW-UHFFFAOYSA-N -1 3 378.417 3.167 20 0 GGADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1nnc(-c2ccccc2)s1 ZINC001573555238 946906312 /nfs/dbraw/zinc/90/63/12/946906312.db2.gz HNZWSEGJCHBZFW-UHFFFAOYSA-N -1 3 378.417 3.167 20 0 GGADHM CC(=O)c1ccc(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)s1 ZINC001573556330 946927344 /nfs/dbraw/zinc/92/73/44/946927344.db2.gz PBMVACAWMDZKMA-CYBMUJFWSA-N -1 3 395.366 3.164 20 0 GGADHM CC(=O)c1ccc(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)s1 ZINC001573556330 946927347 /nfs/dbraw/zinc/92/73/47/946927347.db2.gz PBMVACAWMDZKMA-CYBMUJFWSA-N -1 3 395.366 3.164 20 0 GGADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824762589 946928594 /nfs/dbraw/zinc/92/85/94/946928594.db2.gz HOLNAYXFTJUHGZ-LLVKDONJSA-N -1 3 396.501 3.273 20 0 GGADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824762589 946928602 /nfs/dbraw/zinc/92/86/02/946928602.db2.gz HOLNAYXFTJUHGZ-LLVKDONJSA-N -1 3 396.501 3.273 20 0 GGADHM CC(=O)c1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001573556681 946929042 /nfs/dbraw/zinc/92/90/42/946929042.db2.gz UVAIQQJXPRMIRJ-UHFFFAOYSA-N -1 3 396.794 3.352 20 0 GGADHM CC(=O)c1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001573556681 946929053 /nfs/dbraw/zinc/92/90/53/946929053.db2.gz UVAIQQJXPRMIRJ-UHFFFAOYSA-N -1 3 396.794 3.352 20 0 GGADHM CC(=O)c1ccc(OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC001573556900 946931535 /nfs/dbraw/zinc/93/15/35/946931535.db2.gz YOFKRYSJIBFJDW-UHFFFAOYSA-N -1 3 376.416 3.487 20 0 GGADHM CC(=O)c1ccc(OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC001573556900 946931547 /nfs/dbraw/zinc/93/15/47/946931547.db2.gz YOFKRYSJIBFJDW-UHFFFAOYSA-N -1 3 376.416 3.487 20 0 GGADHM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)CCO1 ZINC000824867993 946962643 /nfs/dbraw/zinc/96/26/43/946962643.db2.gz RXIQQIFCPOSWIB-WCQYABFASA-N -1 3 395.488 3.447 20 0 GGADHM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)CCO1 ZINC000824867993 946962653 /nfs/dbraw/zinc/96/26/53/946962653.db2.gz RXIQQIFCPOSWIB-WCQYABFASA-N -1 3 395.488 3.447 20 0 GGADHM C[C@@H]1CC/C(=C/C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)C1 ZINC000824899908 946982531 /nfs/dbraw/zinc/98/25/31/946982531.db2.gz QDVMCPAFPACXKI-ZGSOTFDTSA-N -1 3 383.843 3.391 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824907220 946986114 /nfs/dbraw/zinc/98/61/14/946986114.db2.gz HBGHLTCNNBCKOH-QWRGUYRKSA-N -1 3 386.847 3.111 20 0 GGADHM CC[C@@H](C)N(C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)[C@H](C)CC ZINC000825068068 947064121 /nfs/dbraw/zinc/06/41/21/947064121.db2.gz OYXCVRDKECOKOT-HUUCEWRRSA-N -1 3 389.500 3.460 20 0 GGADHM CC[C@@H](C)N(C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)[C@H](C)CC ZINC000825068068 947064132 /nfs/dbraw/zinc/06/41/32/947064132.db2.gz OYXCVRDKECOKOT-HUUCEWRRSA-N -1 3 389.500 3.460 20 0 GGADHM CC[C@H](C)N(C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)[C@@H](C)CC ZINC000825068067 947064726 /nfs/dbraw/zinc/06/47/26/947064726.db2.gz OYXCVRDKECOKOT-GJZGRUSLSA-N -1 3 389.500 3.460 20 0 GGADHM CC[C@H](C)N(C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)[C@@H](C)CC ZINC000825068067 947064740 /nfs/dbraw/zinc/06/47/40/947064740.db2.gz OYXCVRDKECOKOT-GJZGRUSLSA-N -1 3 389.500 3.460 20 0 GGADHM CCC(CC)n1nc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825113742 947080890 /nfs/dbraw/zinc/08/08/90/947080890.db2.gz FGNXWAGQGZGUAJ-UHFFFAOYSA-N -1 3 398.467 3.359 20 0 GGADHM CCC(CC)n1nc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825113742 947080902 /nfs/dbraw/zinc/08/09/02/947080902.db2.gz FGNXWAGQGZGUAJ-UHFFFAOYSA-N -1 3 398.467 3.359 20 0 GGADHM CC[C@@H]1C[C@H](CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CCO1 ZINC000825183736 947109404 /nfs/dbraw/zinc/10/94/04/947109404.db2.gz PMFYJJOZFVHIDO-TZMCWYRMSA-N -1 3 387.875 3.323 20 0 GGADHM CCC1(NC(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CCC1 ZINC000825176380 947109758 /nfs/dbraw/zinc/10/97/58/947109758.db2.gz RLJNOJAYTUIWLN-UHFFFAOYSA-N -1 3 386.847 3.160 20 0 GGADHM CC[C@H]1C[C@H](OC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825181495 947110616 /nfs/dbraw/zinc/11/06/16/947110616.db2.gz FFAAXSIEURZDHI-DOTOQJQBSA-N -1 3 398.419 3.153 20 0 GGADHM CC[C@H]1C[C@H](OC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825181495 947110628 /nfs/dbraw/zinc/11/06/28/947110628.db2.gz FFAAXSIEURZDHI-DOTOQJQBSA-N -1 3 398.419 3.153 20 0 GGADHM CCC[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825234380 947128869 /nfs/dbraw/zinc/12/88/69/947128869.db2.gz ZKYIYYHVGBNCJP-SPLOXXLWSA-N -1 3 379.464 3.262 20 0 GGADHM CCC[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825234380 947128874 /nfs/dbraw/zinc/12/88/74/947128874.db2.gz ZKYIYYHVGBNCJP-SPLOXXLWSA-N -1 3 379.464 3.262 20 0 GGADHM CCCCN(CC)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825281818 947140409 /nfs/dbraw/zinc/14/04/09/947140409.db2.gz JNTURBAERQLKJF-UHFFFAOYSA-N -1 3 388.863 3.360 20 0 GGADHM CCN(C(=O)CCCOc1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372275 947166988 /nfs/dbraw/zinc/16/69/88/947166988.db2.gz UVSOEQXULUFCOT-UHFFFAOYSA-N -1 3 386.843 3.127 20 0 GGADHM CCN(C(=O)CCCOc1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372275 947166994 /nfs/dbraw/zinc/16/69/94/947166994.db2.gz UVSOEQXULUFCOT-UHFFFAOYSA-N -1 3 386.843 3.127 20 0 GGADHM CCN(C(=O)c1cn2ccc(C)cc2n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385244 947168871 /nfs/dbraw/zinc/16/88/71/947168871.db2.gz ALZCDMHZIMUOMJ-UHFFFAOYSA-N -1 3 381.827 3.143 20 0 GGADHM CCN(C(=O)c1cn2ccc(C)cc2n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385244 947168877 /nfs/dbraw/zinc/16/88/77/947168877.db2.gz ALZCDMHZIMUOMJ-UHFFFAOYSA-N -1 3 381.827 3.143 20 0 GGADHM CCN(CCOC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825424902 947186687 /nfs/dbraw/zinc/18/66/87/947186687.db2.gz RVSALFDIHQUXHB-HNNXBMFYSA-N -1 3 394.479 3.273 20 0 GGADHM CCN(CCOC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825424902 947186694 /nfs/dbraw/zinc/18/66/94/947186694.db2.gz RVSALFDIHQUXHB-HNNXBMFYSA-N -1 3 394.479 3.273 20 0 GGADHM CCOC(=O)CCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825506228 947208024 /nfs/dbraw/zinc/20/80/24/947208024.db2.gz IGJLSACXPJFXNU-CQSZACIVSA-N -1 3 393.447 3.054 20 0 GGADHM CCOC(=O)CCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825506228 947208030 /nfs/dbraw/zinc/20/80/30/947208030.db2.gz IGJLSACXPJFXNU-CQSZACIVSA-N -1 3 393.447 3.054 20 0 GGADHM C=C/C=C\CCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573314303 947228777 /nfs/dbraw/zinc/22/87/77/947228777.db2.gz AEFVCZMITVOCKU-ARJAWSKDSA-N -1 3 375.432 3.308 20 0 GGADHM C=C/C=C\CCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573314303 947228791 /nfs/dbraw/zinc/22/87/91/947228791.db2.gz AEFVCZMITVOCKU-ARJAWSKDSA-N -1 3 375.432 3.308 20 0 GGADHM C=C/C=C\CCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573314769 947237770 /nfs/dbraw/zinc/23/77/70/947237770.db2.gz GUBHLXDYTNVNLQ-ARJAWSKDSA-N -1 3 375.432 3.308 20 0 GGADHM CCO[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825582597 947245445 /nfs/dbraw/zinc/24/54/45/947245445.db2.gz LUTSFQYPUGTRNB-UPRAQXHNSA-N -1 3 377.448 3.136 20 0 GGADHM CCO[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825582597 947245463 /nfs/dbraw/zinc/24/54/63/947245463.db2.gz LUTSFQYPUGTRNB-UPRAQXHNSA-N -1 3 377.448 3.136 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cnc(-c2cccnc2)s1 ZINC000825610041 947256296 /nfs/dbraw/zinc/25/62/96/947256296.db2.gz XDTBDSFPLVDAIB-UHFFFAOYSA-N -1 3 394.416 3.003 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cnc(-c2cccnc2)s1 ZINC000825610041 947256304 /nfs/dbraw/zinc/25/63/04/947256304.db2.gz XDTBDSFPLVDAIB-UHFFFAOYSA-N -1 3 394.416 3.003 20 0 GGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825615861 947258750 /nfs/dbraw/zinc/25/87/50/947258750.db2.gz NQFDOPKRAMFDRD-UHFFFAOYSA-N -1 3 375.791 3.335 20 0 GGADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825615861 947258760 /nfs/dbraw/zinc/25/87/60/947258760.db2.gz NQFDOPKRAMFDRD-UHFFFAOYSA-N -1 3 375.791 3.335 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2OC[C@H]1C ZINC000825621167 947262570 /nfs/dbraw/zinc/26/25/70/947262570.db2.gz OLTHDLDXXSIEQV-CYBMUJFWSA-N -1 3 394.435 3.080 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2OC[C@H]1C ZINC000825621167 947262585 /nfs/dbraw/zinc/26/25/85/947262585.db2.gz OLTHDLDXXSIEQV-CYBMUJFWSA-N -1 3 394.435 3.080 20 0 GGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825648808 947269827 /nfs/dbraw/zinc/26/98/27/947269827.db2.gz DDNUAXWGPCILHL-VMDGZTHMSA-N -1 3 392.463 3.182 20 0 GGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825648808 947269837 /nfs/dbraw/zinc/26/98/37/947269837.db2.gz DDNUAXWGPCILHL-VMDGZTHMSA-N -1 3 392.463 3.182 20 0 GGADHM CCc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)c1 ZINC000825722696 947301495 /nfs/dbraw/zinc/30/14/95/947301495.db2.gz JUZAFYHJBQRGIJ-UHFFFAOYSA-N -1 3 398.492 3.263 20 0 GGADHM CCc1cccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)c1 ZINC000825722696 947301511 /nfs/dbraw/zinc/30/15/11/947301511.db2.gz JUZAFYHJBQRGIJ-UHFFFAOYSA-N -1 3 398.492 3.263 20 0 GGADHM CCc1nc(CCNc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000825745489 947318458 /nfs/dbraw/zinc/31/84/58/947318458.db2.gz MWJKCBKNYOZFND-UHFFFAOYSA-N -1 3 379.287 3.303 20 0 GGADHM CCc1nc(CCNc2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000825745489 947318474 /nfs/dbraw/zinc/31/84/74/947318474.db2.gz MWJKCBKNYOZFND-UHFFFAOYSA-N -1 3 379.287 3.303 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCCc1ccsc1 ZINC000825788661 947331099 /nfs/dbraw/zinc/33/10/99/947331099.db2.gz UBXNBTLSLPBGFC-UHFFFAOYSA-N -1 3 381.465 3.259 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCCc1ccsc1 ZINC000825788661 947331112 /nfs/dbraw/zinc/33/11/12/947331112.db2.gz UBXNBTLSLPBGFC-UHFFFAOYSA-N -1 3 381.465 3.259 20 0 GGADHM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825908933 947364194 /nfs/dbraw/zinc/36/41/94/947364194.db2.gz ORSBMUJGQFPGBW-HNNXBMFYSA-N -1 3 393.447 3.467 20 0 GGADHM CN1CCc2ccc(NC(=O)c3c(Cl)cc(-c4nnn[n-]4)cc3Cl)cc21 ZINC000826045033 947418791 /nfs/dbraw/zinc/41/87/91/947418791.db2.gz NVEDVLFOBCYQRH-UHFFFAOYSA-N -1 3 389.246 3.418 20 0 GGADHM CN1CCc2ccc(NC(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)cc21 ZINC000826045033 947418796 /nfs/dbraw/zinc/41/87/96/947418796.db2.gz NVEDVLFOBCYQRH-UHFFFAOYSA-N -1 3 389.246 3.418 20 0 GGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1C)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111268 947432132 /nfs/dbraw/zinc/43/21/32/947432132.db2.gz CBVXAAYJCVLXAL-MOPGFXCFSA-N -1 3 377.448 3.130 20 0 GGADHM COC(=O)[C@@H](N[C@@H](c1ccccc1C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111268 947432144 /nfs/dbraw/zinc/43/21/44/947432144.db2.gz CBVXAAYJCVLXAL-MOPGFXCFSA-N -1 3 377.448 3.130 20 0 GGADHM COC(=O)[C@H](N[C@@H](c1ccc(F)c(C)c1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112077 947434998 /nfs/dbraw/zinc/43/49/98/947434998.db2.gz RRNNYLWWYYXLGO-RTBURBONSA-N -1 3 395.438 3.269 20 0 GGADHM COC(=O)[C@H](N[C@@H](c1ccc(F)c(C)c1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112077 947435005 /nfs/dbraw/zinc/43/50/05/947435005.db2.gz RRNNYLWWYYXLGO-RTBURBONSA-N -1 3 395.438 3.269 20 0 GGADHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1(C)C ZINC000826144599 947457731 /nfs/dbraw/zinc/45/77/31/947457731.db2.gz NDPZMTUKQQHHSX-FASAQXTFSA-N -1 3 391.475 3.323 20 0 GGADHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1(C)C ZINC000826144599 947457738 /nfs/dbraw/zinc/45/77/38/947457738.db2.gz NDPZMTUKQQHHSX-FASAQXTFSA-N -1 3 391.475 3.323 20 0 GGADHM COC[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826148487 947477572 /nfs/dbraw/zinc/47/75/72/947477572.db2.gz KDGPIMILFKNTBX-CABCVRRESA-N -1 3 379.464 3.384 20 0 GGADHM COC[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826148487 947477578 /nfs/dbraw/zinc/47/75/78/947477578.db2.gz KDGPIMILFKNTBX-CABCVRRESA-N -1 3 379.464 3.384 20 0 GGADHM COCC1(NC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826152835 947483942 /nfs/dbraw/zinc/48/39/42/947483942.db2.gz PBSHRMJCRQRJPF-AWEZNQCLSA-N -1 3 392.463 3.073 20 0 GGADHM COCC1(NC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826152835 947483946 /nfs/dbraw/zinc/48/39/46/947483946.db2.gz PBSHRMJCRQRJPF-AWEZNQCLSA-N -1 3 392.463 3.073 20 0 GGADHM COCCN(C(=O)[C@H](C)Cc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157330 947497517 /nfs/dbraw/zinc/49/75/17/947497517.db2.gz QZMRKTWYCZNMSN-MRXNPFEDSA-N -1 3 379.464 3.033 20 0 GGADHM COCCN(C(=O)[C@H](C)Cc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157330 947497524 /nfs/dbraw/zinc/49/75/24/947497524.db2.gz QZMRKTWYCZNMSN-MRXNPFEDSA-N -1 3 379.464 3.033 20 0 GGADHM COCc1ccsc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826165117 947519678 /nfs/dbraw/zinc/51/96/78/947519678.db2.gz GRHGDBDCCKMLJO-UHFFFAOYSA-N -1 3 381.461 3.004 20 0 GGADHM COCc1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826165117 947519684 /nfs/dbraw/zinc/51/96/84/947519684.db2.gz GRHGDBDCCKMLJO-UHFFFAOYSA-N -1 3 381.461 3.004 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826171109 947533284 /nfs/dbraw/zinc/53/32/84/947533284.db2.gz CGOBTMMQYYXMFJ-OAHLLOKOSA-N -1 3 384.823 3.302 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000826171109 947533295 /nfs/dbraw/zinc/53/32/95/947533295.db2.gz CGOBTMMQYYXMFJ-OAHLLOKOSA-N -1 3 384.823 3.302 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000826186346 947570509 /nfs/dbraw/zinc/57/05/09/947570509.db2.gz OKCDWINYFLVOJQ-NSHDSACASA-N -1 3 386.843 3.358 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000826186346 947570519 /nfs/dbraw/zinc/57/05/19/947570519.db2.gz OKCDWINYFLVOJQ-NSHDSACASA-N -1 3 386.843 3.358 20 0 GGADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826191750 947585040 /nfs/dbraw/zinc/58/50/40/947585040.db2.gz OXQQLZLHALQTSM-CYBMUJFWSA-N -1 3 398.442 3.357 20 0 GGADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826191750 947585049 /nfs/dbraw/zinc/58/50/49/947585049.db2.gz OXQQLZLHALQTSM-CYBMUJFWSA-N -1 3 398.442 3.357 20 0 GGADHM COc1ccc(C[C@H](C)CN(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826191900 947587291 /nfs/dbraw/zinc/58/72/91/947587291.db2.gz UADHSOVKAVJCNC-DDKJEQMHSA-N -1 3 391.475 3.226 20 0 GGADHM COc1ccc(C[C@H](C)CN(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826191900 947587302 /nfs/dbraw/zinc/58/73/02/947587302.db2.gz UADHSOVKAVJCNC-DDKJEQMHSA-N -1 3 391.475 3.226 20 0 GGADHM COc1ccc(CNc2ccc(OCc3ccccc3)nc2)cc1-c1nnn[n-]1 ZINC000826203917 947602949 /nfs/dbraw/zinc/60/29/49/947602949.db2.gz MIBULCOKOIUDOB-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM COc1ccc(CNc2ccc(OCc3ccccc3)nc2)cc1-c1nn[n-]n1 ZINC000826203917 947602953 /nfs/dbraw/zinc/60/29/53/947602953.db2.gz MIBULCOKOIUDOB-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)C[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826208554 947608030 /nfs/dbraw/zinc/60/80/30/947608030.db2.gz PWQFMWOMNZVGQL-NSHDSACASA-N -1 3 386.843 3.358 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)C[C@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826208554 947608034 /nfs/dbraw/zinc/60/80/34/947608034.db2.gz PWQFMWOMNZVGQL-NSHDSACASA-N -1 3 386.843 3.358 20 0 GGADHM COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826211568 947618711 /nfs/dbraw/zinc/61/87/11/947618711.db2.gz KMPIWAKBKKVITR-UHFFFAOYSA-N -1 3 385.449 3.167 20 0 GGADHM COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826211568 947618732 /nfs/dbraw/zinc/61/87/32/947618732.db2.gz KMPIWAKBKKVITR-UHFFFAOYSA-N -1 3 385.449 3.167 20 0 GGADHM COc1cccc(N2CC[C@H](CNc3cc(C(C)=O)ccc3-c3nnn[n-]3)C2)c1 ZINC000826216471 947633152 /nfs/dbraw/zinc/63/31/52/947633152.db2.gz ACPCMWBOGOUJQT-OAHLLOKOSA-N -1 3 392.463 3.016 20 0 GGADHM COc1cccc(N2CC[C@H](CNc3cc(C(C)=O)ccc3-c3nn[n-]n3)C2)c1 ZINC000826216471 947633162 /nfs/dbraw/zinc/63/31/62/947633162.db2.gz ACPCMWBOGOUJQT-OAHLLOKOSA-N -1 3 392.463 3.016 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c21 ZINC000826217280 947640480 /nfs/dbraw/zinc/64/04/80/947640480.db2.gz GGLGKQWLQANKGK-GFCCVEGCSA-N -1 3 377.404 3.204 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c21 ZINC000826217280 947640493 /nfs/dbraw/zinc/64/04/93/947640493.db2.gz GGLGKQWLQANKGK-GFCCVEGCSA-N -1 3 377.404 3.204 20 0 GGADHM COc1cccc2c1CCN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C2 ZINC000826217833 947642080 /nfs/dbraw/zinc/64/20/80/947642080.db2.gz DXVNCIOLJYLWOM-UHFFFAOYSA-N -1 3 375.354 3.457 20 0 GGADHM COc1cccc2c1CCN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C2 ZINC000826217833 947642083 /nfs/dbraw/zinc/64/20/83/947642083.db2.gz DXVNCIOLJYLWOM-UHFFFAOYSA-N -1 3 375.354 3.457 20 0 GGADHM COc1ccccc1OCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826220964 947653859 /nfs/dbraw/zinc/65/38/59/947653859.db2.gz IRWFMWKLXGFQSL-UHFFFAOYSA-N -1 3 390.241 3.129 20 0 GGADHM COc1ccccc1OCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826220964 947653863 /nfs/dbraw/zinc/65/38/63/947653863.db2.gz IRWFMWKLXGFQSL-UHFFFAOYSA-N -1 3 390.241 3.129 20 0 GGADHM C=Cc1ccccc1NC(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001573358230 947659122 /nfs/dbraw/zinc/65/91/22/947659122.db2.gz CRLJFDKQONYNCZ-UHFFFAOYSA-N -1 3 378.436 3.190 20 0 GGADHM C=Cc1ccccc1NC(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001573358230 947659128 /nfs/dbraw/zinc/65/91/28/947659128.db2.gz CRLJFDKQONYNCZ-UHFFFAOYSA-N -1 3 378.436 3.190 20 0 GGADHM CS[C@@H](C)CCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826226435 947665326 /nfs/dbraw/zinc/66/53/26/947665326.db2.gz ZFUROUIGIDRJLW-JTQLQIEISA-N -1 3 391.888 3.176 20 0 GGADHM Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826234700 947687566 /nfs/dbraw/zinc/68/75/66/947687566.db2.gz JVXZRUBSWULUEE-GFCCVEGCSA-N -1 3 391.387 3.105 20 0 GGADHM Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826234700 947687572 /nfs/dbraw/zinc/68/75/72/947687572.db2.gz JVXZRUBSWULUEE-GFCCVEGCSA-N -1 3 391.387 3.105 20 0 GGADHM Cc1c(Cl)cnc(NC[C@](O)(c2ccccc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826239629 947709307 /nfs/dbraw/zinc/70/93/07/947709307.db2.gz MELIWNIGQNJNOD-HNNXBMFYSA-N -1 3 398.776 3.086 20 0 GGADHM Cc1c(Cl)cnc(NC[C@](O)(c2ccccc2)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826239629 947709314 /nfs/dbraw/zinc/70/93/14/947709314.db2.gz MELIWNIGQNJNOD-HNNXBMFYSA-N -1 3 398.776 3.086 20 0 GGADHM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001573364130 947717744 /nfs/dbraw/zinc/71/77/44/947717744.db2.gz GKLIXHYDUOAHJV-NTMALXAHSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001573364130 947717752 /nfs/dbraw/zinc/71/77/52/947717752.db2.gz GKLIXHYDUOAHJV-NTMALXAHSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001573364129 947718820 /nfs/dbraw/zinc/71/88/20/947718820.db2.gz GKLIXHYDUOAHJV-CSKARUKUSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001573364129 947718823 /nfs/dbraw/zinc/71/88/23/947718823.db2.gz GKLIXHYDUOAHJV-CSKARUKUSA-N -1 3 390.325 3.202 20 0 GGADHM Cc1c(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cccc1-c1nnn[n-]1 ZINC000826242574 947719729 /nfs/dbraw/zinc/71/97/29/947719729.db2.gz VHNKZXRDGFRHGT-UHFFFAOYSA-N -1 3 384.806 3.160 20 0 GGADHM Cc1c(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cccc1-c1nn[n-]n1 ZINC000826242574 947719742 /nfs/dbraw/zinc/71/97/42/947719742.db2.gz VHNKZXRDGFRHGT-UHFFFAOYSA-N -1 3 384.806 3.160 20 0 GGADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1-c1cccc(F)c1 ZINC000826249665 947727457 /nfs/dbraw/zinc/72/74/57/947727457.db2.gz NVJRMFVDPISGDS-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1-c1cccc(F)c1 ZINC000826249665 947727472 /nfs/dbraw/zinc/72/74/72/947727472.db2.gz NVJRMFVDPISGDS-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM C/C(=C\c1ccccc1)CN(C)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001573365282 947729266 /nfs/dbraw/zinc/72/92/66/947729266.db2.gz MCDMKCZRKLGJLP-JQIJEIRASA-N -1 3 376.464 3.154 20 0 GGADHM C/C(=C\c1ccccc1)CN(C)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001573365282 947729278 /nfs/dbraw/zinc/72/92/78/947729278.db2.gz MCDMKCZRKLGJLP-JQIJEIRASA-N -1 3 376.464 3.154 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)COC2CCCC2)CC1 ZINC000826254381 947733388 /nfs/dbraw/zinc/73/33/88/947733388.db2.gz IPJSKLWFQQSQGR-UHFFFAOYSA-N -1 3 399.495 3.401 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(Cl)c1 ZINC001573365845 947734283 /nfs/dbraw/zinc/73/42/83/947734283.db2.gz UNLXNLFCAZFDBM-NUCSPZLJSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(Cl)c1 ZINC001573365845 947734293 /nfs/dbraw/zinc/73/42/93/947734293.db2.gz UNLXNLFCAZFDBM-NUCSPZLJSA-N -1 3 379.851 3.207 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCc2cnns2)cc1 ZINC000826255363 947735333 /nfs/dbraw/zinc/73/53/33/947735333.db2.gz VHXHWUFLKGHIJW-UHFFFAOYSA-N -1 3 394.416 3.176 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2cnns2)cc1 ZINC000826255363 947735352 /nfs/dbraw/zinc/73/53/52/947735352.db2.gz VHXHWUFLKGHIJW-UHFFFAOYSA-N -1 3 394.416 3.176 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1c(Cl)cccc1Cl ZINC000826256251 947739009 /nfs/dbraw/zinc/73/90/09/947739009.db2.gz ZYSFXAVWBAHRSS-UHFFFAOYSA-N -1 3 384.248 3.283 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1c(Cl)cccc1Cl ZINC000826256251 947739018 /nfs/dbraw/zinc/73/90/18/947739018.db2.gz ZYSFXAVWBAHRSS-UHFFFAOYSA-N -1 3 384.248 3.283 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573366414 947740728 /nfs/dbraw/zinc/74/07/28/947740728.db2.gz PVIYADIBLSCKOX-GXDHUFHOSA-N -1 3 399.414 3.491 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573366414 947740738 /nfs/dbraw/zinc/74/07/38/947740738.db2.gz PVIYADIBLSCKOX-GXDHUFHOSA-N -1 3 399.414 3.491 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000826258209 947744406 /nfs/dbraw/zinc/74/44/06/947744406.db2.gz DLJGMSFAEFSAQL-AWEZNQCLSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000826258209 947744410 /nfs/dbraw/zinc/74/44/10/947744410.db2.gz DLJGMSFAEFSAQL-AWEZNQCLSA-N -1 3 385.431 3.123 20 0 GGADHM CC(=Cc1ccncc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001573366775 947744449 /nfs/dbraw/zinc/74/44/49/947744449.db2.gz SPQAQERURQILJQ-MDZDMXLPSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1ccncc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001573366775 947744457 /nfs/dbraw/zinc/74/44/57/947744457.db2.gz SPQAQERURQILJQ-MDZDMXLPSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001573366536 947745419 /nfs/dbraw/zinc/74/54/19/947745419.db2.gz RWFUPDCWZYAHEN-NTMALXAHSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573366806 947748377 /nfs/dbraw/zinc/74/83/77/947748377.db2.gz YNUNUIYIPVDYNR-NTCAYCPXSA-N -1 3 386.415 3.491 20 0 GGADHM CC(=CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573366806 947748384 /nfs/dbraw/zinc/74/83/84/947748384.db2.gz YNUNUIYIPVDYNR-NTCAYCPXSA-N -1 3 386.415 3.491 20 0 GGADHM CC(=Cc1ccco1)C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001573366902 947749694 /nfs/dbraw/zinc/74/96/94/947749694.db2.gz UXLRIKZBTGMTAC-VMPITWQZSA-N -1 3 393.172 3.370 20 0 GGADHM CC(=Cc1ccco1)C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001573366902 947749707 /nfs/dbraw/zinc/74/97/07/947749707.db2.gz UXLRIKZBTGMTAC-VMPITWQZSA-N -1 3 393.172 3.370 20 0 GGADHM CC(=CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC001573367000 947749776 /nfs/dbraw/zinc/74/97/76/947749776.db2.gz ZFWMWJZYXTVDJG-VAWYXSNFSA-N -1 3 389.419 3.304 20 0 GGADHM CC(=Cc1ccco1)C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001573366903 947750981 /nfs/dbraw/zinc/75/09/81/947750981.db2.gz UXLRIKZBTGMTAC-YVMONPNESA-N -1 3 393.172 3.370 20 0 GGADHM CC(=Cc1ccco1)C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001573366903 947750988 /nfs/dbraw/zinc/75/09/88/947750988.db2.gz UXLRIKZBTGMTAC-YVMONPNESA-N -1 3 393.172 3.370 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cc(=O)[nH]1 ZINC000826260520 947751425 /nfs/dbraw/zinc/75/14/25/947751425.db2.gz RVDKGLWOBJCGHD-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc(=O)[nH]1 ZINC000826260520 947751431 /nfs/dbraw/zinc/75/14/31/947751431.db2.gz RVDKGLWOBJCGHD-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM CC(=Cc1ccc(Br)o1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001573367156 947756173 /nfs/dbraw/zinc/75/61/73/947756173.db2.gz YFQCSNZENWAQAQ-VURMDHGXSA-N -1 3 393.172 3.370 20 0 GGADHM CC(=Cc1ccc(Br)o1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001573367156 947756177 /nfs/dbraw/zinc/75/61/77/947756177.db2.gz YFQCSNZENWAQAQ-VURMDHGXSA-N -1 3 393.172 3.370 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3nc4ccccn4c3-c3nnn[n-]3)cc2)n1 ZINC000826265316 947766755 /nfs/dbraw/zinc/76/67/55/947766755.db2.gz UQOBHNKCYALCGB-OAHLLOKOSA-N -1 3 399.462 3.490 20 0 GGADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3nc4ccccn4c3-c3nn[n-]n3)cc2)n1 ZINC000826265316 947766761 /nfs/dbraw/zinc/76/67/61/947766761.db2.gz UQOBHNKCYALCGB-OAHLLOKOSA-N -1 3 399.462 3.490 20 0 GGADHM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C(=O)OC(C)(C)C ZINC000826270733 947783671 /nfs/dbraw/zinc/78/36/71/947783671.db2.gz MNRPCBGGEHHFIK-UHFFFAOYSA-N -1 3 379.420 3.383 20 0 GGADHM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C(=O)OC(C)(C)C ZINC000826270733 947783678 /nfs/dbraw/zinc/78/36/78/947783678.db2.gz MNRPCBGGEHHFIK-UHFFFAOYSA-N -1 3 379.420 3.383 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000826277735 947800991 /nfs/dbraw/zinc/80/09/91/947800991.db2.gz FCWNOIXXPSGGFO-UHFFFAOYSA-N -1 3 394.483 3.096 20 0 GGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)nn1-c1ccc(C)cc1 ZINC000826281404 947806166 /nfs/dbraw/zinc/80/61/66/947806166.db2.gz PXYOSORERFQWQP-XFXZXTDPSA-N -1 3 385.431 3.321 20 0 GGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)nn1-c1ccc(C)cc1 ZINC000826281404 947806170 /nfs/dbraw/zinc/80/61/70/947806170.db2.gz PXYOSORERFQWQP-XFXZXTDPSA-N -1 3 385.431 3.321 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826288314 947839949 /nfs/dbraw/zinc/83/99/49/947839949.db2.gz ATNJCBLTDOXZTM-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826288314 947839955 /nfs/dbraw/zinc/83/99/55/947839955.db2.gz ATNJCBLTDOXZTM-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1cccc([C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)(C)C)c1 ZINC000826296361 947858691 /nfs/dbraw/zinc/85/86/91/947858691.db2.gz TTWJNFPNVSYQHU-ZWKOTPCHSA-N -1 3 379.464 3.112 20 0 GGADHM Cc1cccc([C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)(C)C)c1 ZINC000826296361 947858696 /nfs/dbraw/zinc/85/86/96/947858696.db2.gz TTWJNFPNVSYQHU-ZWKOTPCHSA-N -1 3 379.464 3.112 20 0 GGADHM Cc1cccc(Cc2cnc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)s2)c1Cl ZINC000826298070 947862972 /nfs/dbraw/zinc/86/29/72/947862972.db2.gz CBBBOAPTEZLZMF-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM Cc1cccc(Cc2cnc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)s2)c1Cl ZINC000826298070 947862979 /nfs/dbraw/zinc/86/29/79/947862979.db2.gz CBBBOAPTEZLZMF-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM Cc1cccn2cc(CCNc3ccc(Br)cc3-c3nnn[n-]3)nc12 ZINC000826308250 947884890 /nfs/dbraw/zinc/88/48/90/947884890.db2.gz PTWNNTMNYJQCJW-UHFFFAOYSA-N -1 3 398.268 3.240 20 0 GGADHM Cc1cccn2cc(CCNc3ccc(Br)cc3-c3nn[n-]n3)nc12 ZINC000826308250 947884892 /nfs/dbraw/zinc/88/48/92/947884892.db2.gz PTWNNTMNYJQCJW-UHFFFAOYSA-N -1 3 398.268 3.240 20 0 GGADHM Cc1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nnn[n-]1 ZINC000826310334 947894258 /nfs/dbraw/zinc/89/42/58/947894258.db2.gz SGLOFIGGQVJYHP-SNVBAGLBSA-N -1 3 395.414 3.429 20 0 GGADHM Cc1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nn[n-]n1 ZINC000826310334 947894265 /nfs/dbraw/zinc/89/42/65/947894265.db2.gz SGLOFIGGQVJYHP-SNVBAGLBSA-N -1 3 395.414 3.429 20 0 GGADHM Cc1ccnc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1-c1nnn[n-]1 ZINC000826312093 947904023 /nfs/dbraw/zinc/90/40/23/947904023.db2.gz VTFOJZURCAXZLC-GFCCVEGCSA-N -1 3 378.440 3.027 20 0 GGADHM Cc1ccnc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1-c1nn[n-]n1 ZINC000826312093 947904027 /nfs/dbraw/zinc/90/40/27/947904027.db2.gz VTFOJZURCAXZLC-GFCCVEGCSA-N -1 3 378.440 3.027 20 0 GGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826330257 947961080 /nfs/dbraw/zinc/96/10/80/947961080.db2.gz LYWFNOBOKVQGOQ-AWEZNQCLSA-N -1 3 386.257 3.217 20 0 GGADHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826330257 947961086 /nfs/dbraw/zinc/96/10/86/947961086.db2.gz LYWFNOBOKVQGOQ-AWEZNQCLSA-N -1 3 386.257 3.217 20 0 GGADHM Cc1nnc(NCCOCc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000826337011 947971635 /nfs/dbraw/zinc/97/16/35/947971635.db2.gz YLLASVALUQUBKR-UHFFFAOYSA-N -1 3 394.266 3.209 20 0 GGADHM Cc1nnc(NCCOCc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000826337011 947971639 /nfs/dbraw/zinc/97/16/39/947971639.db2.gz YLLASVALUQUBKR-UHFFFAOYSA-N -1 3 394.266 3.209 20 0 GGADHM Cc1nnccc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826338299 947972292 /nfs/dbraw/zinc/97/22/92/947972292.db2.gz QLPHCUWZCQXAET-CYBMUJFWSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1nnccc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826338299 947972302 /nfs/dbraw/zinc/97/23/02/947972302.db2.gz QLPHCUWZCQXAET-CYBMUJFWSA-N -1 3 385.431 3.123 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@H]2/C=C/c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826342174 947981915 /nfs/dbraw/zinc/98/19/15/947981915.db2.gz ZXJHKBGWZASIPT-DVQDXYAYSA-N -1 3 392.463 3.193 20 0 GGADHM Cc1oc(NC(=O)CN2CCC[C@H]2/C=C/c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826342174 947981925 /nfs/dbraw/zinc/98/19/25/947981925.db2.gz ZXJHKBGWZASIPT-DVQDXYAYSA-N -1 3 392.463 3.193 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](C(C)(C)C)C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000826349266 948091427 /nfs/dbraw/zinc/09/14/27/948091427.db2.gz BFLVOYXGIJERKC-ZDUSSCGKSA-N -1 3 390.435 3.050 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](C(C)(C)C)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826349266 948091435 /nfs/dbraw/zinc/09/14/35/948091435.db2.gz BFLVOYXGIJERKC-ZDUSSCGKSA-N -1 3 390.435 3.050 20 0 GGADHM C[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc2ccccc2c1 ZINC001573677359 948136452 /nfs/dbraw/zinc/13/64/52/948136452.db2.gz CSQFIOJZXJENST-SZNDQCEHSA-N -1 3 383.455 3.407 20 0 GGADHM C[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc2ccccc2c1 ZINC001573677359 948136458 /nfs/dbraw/zinc/13/64/58/948136458.db2.gz CSQFIOJZXJENST-SZNDQCEHSA-N -1 3 383.455 3.407 20 0 GGADHM FC(F)(F)[C@@H]1CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000826367931 948146641 /nfs/dbraw/zinc/14/66/41/948146641.db2.gz UXYQUCWJYUPOTK-MRVPVSSYSA-N -1 3 376.180 3.408 20 0 GGADHM FC(F)(F)[C@@H]1CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826367931 948146643 /nfs/dbraw/zinc/14/66/43/948146643.db2.gz UXYQUCWJYUPOTK-MRVPVSSYSA-N -1 3 376.180 3.408 20 0 GGADHM FC(F)(F)Cc1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826367979 948147962 /nfs/dbraw/zinc/14/79/62/948147962.db2.gz WUUZNXSMNKYNEZ-UHFFFAOYSA-N -1 3 376.751 3.300 20 0 GGADHM FC(F)(F)Cc1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826367979 948147969 /nfs/dbraw/zinc/14/79/69/948147969.db2.gz WUUZNXSMNKYNEZ-UHFFFAOYSA-N -1 3 376.751 3.300 20 0 GGADHM FC(F)(F)c1ccc([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826368689 948150382 /nfs/dbraw/zinc/15/03/82/948150382.db2.gz YVQHTDJANVNEAA-KRWDZBQOSA-N -1 3 389.381 3.459 20 0 GGADHM O=C(C=Cc1cccs1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826402800 948224148 /nfs/dbraw/zinc/22/41/48/948224148.db2.gz BZBYUHOTJHRHIA-XQRVVYSFSA-N -1 3 397.851 3.419 20 0 GGADHM O=C(C=Cc1cccs1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826402800 948224154 /nfs/dbraw/zinc/22/41/54/948224154.db2.gz BZBYUHOTJHRHIA-XQRVVYSFSA-N -1 3 397.851 3.419 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826409207 948244695 /nfs/dbraw/zinc/24/46/95/948244695.db2.gz NAXOPVNDWNUGAP-MRXNPFEDSA-N -1 3 396.882 3.166 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826409207 948244702 /nfs/dbraw/zinc/24/47/02/948244702.db2.gz NAXOPVNDWNUGAP-MRXNPFEDSA-N -1 3 396.882 3.166 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccc(Cl)cn1 ZINC000826420841 948265690 /nfs/dbraw/zinc/26/56/90/948265690.db2.gz FIWFOGRYOVTYBE-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccc(Cl)cn1 ZINC000826420841 948265701 /nfs/dbraw/zinc/26/57/01/948265701.db2.gz FIWFOGRYOVTYBE-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=C(Cc1ccc(F)cc1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826422967 948269444 /nfs/dbraw/zinc/26/94/44/948269444.db2.gz STBRVTXYJVIZJB-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826422729 948269598 /nfs/dbraw/zinc/26/95/98/948269598.db2.gz JYSGRWSDITUFAG-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826422729 948269604 /nfs/dbraw/zinc/26/96/04/948269604.db2.gz JYSGRWSDITUFAG-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1ccc(F)cc1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826422592 948270847 /nfs/dbraw/zinc/27/08/47/948270847.db2.gz FLSKJLSNLZAXKR-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(Cc1ccc(F)cc1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826422592 948270851 /nfs/dbraw/zinc/27/08/51/948270851.db2.gz FLSKJLSNLZAXKR-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429163 948279007 /nfs/dbraw/zinc/27/90/07/948279007.db2.gz VSZGFAWDIHEURJ-YVNUBYTISA-N -1 3 378.480 3.244 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429163 948279013 /nfs/dbraw/zinc/27/90/13/948279013.db2.gz VSZGFAWDIHEURJ-YVNUBYTISA-N -1 3 378.480 3.244 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCCS1 ZINC000826440339 948298072 /nfs/dbraw/zinc/29/80/72/948298072.db2.gz JMYJGZTXADQWIO-SFHVURJKSA-N -1 3 379.489 3.436 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCCS1 ZINC000826440339 948298082 /nfs/dbraw/zinc/29/80/82/948298082.db2.gz JMYJGZTXADQWIO-SFHVURJKSA-N -1 3 379.489 3.436 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CCC(F)(F)C1 ZINC000826440832 948299848 /nfs/dbraw/zinc/29/98/48/948299848.db2.gz BYHSRUMZIBMNAC-UHFFFAOYSA-N -1 3 384.390 3.084 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CCC(F)(F)C1 ZINC000826440832 948299859 /nfs/dbraw/zinc/29/98/59/948299859.db2.gz BYHSRUMZIBMNAC-UHFFFAOYSA-N -1 3 384.390 3.084 20 0 GGADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@H]1CCCCS1 ZINC000826442293 948303721 /nfs/dbraw/zinc/30/37/21/948303721.db2.gz PXDBMOSICCRJED-MRXNPFEDSA-N -1 3 385.518 3.497 20 0 GGADHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826453778 948324820 /nfs/dbraw/zinc/32/48/20/948324820.db2.gz ZFSMCOMETNWZSY-LJQANCHMSA-N -1 3 388.431 3.113 20 0 GGADHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826453778 948324829 /nfs/dbraw/zinc/32/48/29/948324829.db2.gz ZFSMCOMETNWZSY-LJQANCHMSA-N -1 3 388.431 3.113 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(Cc2cccc(F)c2)n1 ZINC000826454170 948325433 /nfs/dbraw/zinc/32/54/33/948325433.db2.gz LTHHZYWUPFOKHH-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(Cc2cccc(F)c2)n1 ZINC000826454170 948325445 /nfs/dbraw/zinc/32/54/45/948325445.db2.gz LTHHZYWUPFOKHH-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456587 948330759 /nfs/dbraw/zinc/33/07/59/948330759.db2.gz NELNOGSTJIBTIK-LJQANCHMSA-N -1 3 388.431 3.113 20 0 GGADHM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456587 948330765 /nfs/dbraw/zinc/33/07/65/948330765.db2.gz NELNOGSTJIBTIK-LJQANCHMSA-N -1 3 388.431 3.113 20 0 GGADHM O=C(Nc1cccc(OCCOc2ccccc2-c2nnn[n-]2)c1)c1ccco1 ZINC000826457101 948331029 /nfs/dbraw/zinc/33/10/29/948331029.db2.gz MBPXNMFIYUPSFR-UHFFFAOYSA-N -1 3 391.387 3.170 20 0 GGADHM O=C(Nc1cccc(OCCOc2ccccc2-c2nn[n-]n2)c1)c1ccco1 ZINC000826457101 948331034 /nfs/dbraw/zinc/33/10/34/948331034.db2.gz MBPXNMFIYUPSFR-UHFFFAOYSA-N -1 3 391.387 3.170 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)N1CCC[C@H]1C1CC1 ZINC000826457806 948334777 /nfs/dbraw/zinc/33/47/77/948334777.db2.gz QRVGXOXCPDNFDD-AWEZNQCLSA-N -1 3 398.858 3.112 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC000826458653 948341775 /nfs/dbraw/zinc/34/17/75/948341775.db2.gz ZPTYUSRQZXQZPR-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000826458653 948341783 /nfs/dbraw/zinc/34/17/83/948341783.db2.gz ZPTYUSRQZXQZPR-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1scnc1C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826461258 948346247 /nfs/dbraw/zinc/34/62/47/948346247.db2.gz MWFTXUVWTBMEOZ-UHFFFAOYSA-N -1 3 381.465 3.397 20 0 GGADHM O=C(Nc1scnc1C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826461258 948346251 /nfs/dbraw/zinc/34/62/51/948346251.db2.gz MWFTXUVWTBMEOZ-UHFFFAOYSA-N -1 3 381.465 3.397 20 0 GGADHM O=C(OC(c1ccc(F)cc1)c1ccc(F)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462001 948351053 /nfs/dbraw/zinc/35/10/53/948351053.db2.gz LPSOOATWFHQQGO-UHFFFAOYSA-N -1 3 381.342 3.419 20 0 GGADHM O=C(OC(c1ccc(F)cc1)c1ccc(F)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462001 948351064 /nfs/dbraw/zinc/35/10/64/948351064.db2.gz LPSOOATWFHQQGO-UHFFFAOYSA-N -1 3 381.342 3.419 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1cccc(F)c1 ZINC000826464822 948359693 /nfs/dbraw/zinc/35/96/93/948359693.db2.gz NRRZKDWEONLRMB-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(F)c1 ZINC000826464822 948359701 /nfs/dbraw/zinc/35/97/01/948359701.db2.gz NRRZKDWEONLRMB-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826482629 948396506 /nfs/dbraw/zinc/39/65/06/948396506.db2.gz LNAHOGSRXMAWFP-IZZDOVSWSA-N -1 3 386.184 3.261 20 0 GGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826482629 948396514 /nfs/dbraw/zinc/39/65/14/948396514.db2.gz LNAHOGSRXMAWFP-IZZDOVSWSA-N -1 3 386.184 3.261 20 0 GGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826482710 948397415 /nfs/dbraw/zinc/39/74/15/948397415.db2.gz OHZCLOOJIRKJKI-UXBLZVDNSA-N -1 3 386.184 3.261 20 0 GGADHM O=C1Nc2c(cccc2Br)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826482710 948397423 /nfs/dbraw/zinc/39/74/23/948397423.db2.gz OHZCLOOJIRKJKI-UXBLZVDNSA-N -1 3 386.184 3.261 20 0 GGADHM O[C@@H]1CCCC[C@H]1CCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826507029 948424382 /nfs/dbraw/zinc/42/43/82/948424382.db2.gz HPGGJHYRNGSBSS-XHDPSFHLSA-N -1 3 380.290 3.372 20 0 GGADHM O[C@@H]1CCCC[C@H]1CCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826507029 948424388 /nfs/dbraw/zinc/42/43/88/948424388.db2.gz HPGGJHYRNGSBSS-XHDPSFHLSA-N -1 3 380.290 3.372 20 0 GGADHM c1ccn2c(c1)nc(N1CCC(OCC3CCCCC3)CC1)c2-c1nnn[n-]1 ZINC000826524041 948458972 /nfs/dbraw/zinc/45/89/72/948458972.db2.gz HCFPZSAIDJXOAG-UHFFFAOYSA-N -1 3 381.484 3.080 20 0 GGADHM c1ccn2c(c1)nc(N1CCC(OCC3CCCCC3)CC1)c2-c1nn[n-]n1 ZINC000826524041 948458977 /nfs/dbraw/zinc/45/89/77/948458977.db2.gz HCFPZSAIDJXOAG-UHFFFAOYSA-N -1 3 381.484 3.080 20 0 GGADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001150184380 948483649 /nfs/dbraw/zinc/48/36/49/948483649.db2.gz OUYDADRRCLAJJC-UHFFFAOYSA-N -1 3 375.388 3.305 20 0 GGADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001150184380 948483657 /nfs/dbraw/zinc/48/36/57/948483657.db2.gz OUYDADRRCLAJJC-UHFFFAOYSA-N -1 3 375.388 3.305 20 0 GGADHM CC(C)CC1(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCC1 ZINC001188214476 948493785 /nfs/dbraw/zinc/49/37/85/948493785.db2.gz OCLLJAYHLQIAOC-UHFFFAOYSA-N -1 3 383.905 3.015 20 0 GGADHM CC(C)CC1(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCC1 ZINC001188214476 948493793 /nfs/dbraw/zinc/49/37/93/948493793.db2.gz OCLLJAYHLQIAOC-UHFFFAOYSA-N -1 3 383.905 3.015 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1csc(Cc2cccc(F)c2)n1 ZINC001275483364 948498140 /nfs/dbraw/zinc/49/81/40/948498140.db2.gz LOQOFGXKQNENFU-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1csc(Cc2cccc(F)c2)n1 ZINC001275483364 948498143 /nfs/dbraw/zinc/49/81/43/948498143.db2.gz LOQOFGXKQNENFU-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM CC(C)C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001309205908 948503683 /nfs/dbraw/zinc/50/36/83/948503683.db2.gz CFTWPDDYVHEHIY-ZDUSSCGKSA-N -1 3 397.932 3.500 20 0 GGADHM CC(C)C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001309205908 948503687 /nfs/dbraw/zinc/50/36/87/948503687.db2.gz CFTWPDDYVHEHIY-ZDUSSCGKSA-N -1 3 397.932 3.500 20 0 GGADHM CC(=O)c1cccc(OCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001436650194 948516388 /nfs/dbraw/zinc/51/63/88/948516388.db2.gz UKIKOWXCCSSEHD-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM CC(=O)c1cccc(OCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001436650194 948516397 /nfs/dbraw/zinc/51/63/97/948516397.db2.gz UKIKOWXCCSSEHD-UHFFFAOYSA-N -1 3 383.383 3.006 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C(=O)c2ccco2)c1 ZINC001436652221 948517869 /nfs/dbraw/zinc/51/78/69/948517869.db2.gz YSNGAVRBPNITBP-UHFFFAOYSA-N -1 3 377.335 3.082 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C(=O)c2ccco2)c1 ZINC001436652221 948517872 /nfs/dbraw/zinc/51/78/72/948517872.db2.gz YSNGAVRBPNITBP-UHFFFAOYSA-N -1 3 377.335 3.082 20 0 GGADHM Cc1c(Br)ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1F ZINC001460787749 948525948 /nfs/dbraw/zinc/52/59/48/948525948.db2.gz RBDBMRYRJBUALG-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1c(Br)ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1F ZINC001460787749 948525955 /nfs/dbraw/zinc/52/59/55/948525955.db2.gz RBDBMRYRJBUALG-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528087776 948541058 /nfs/dbraw/zinc/54/10/58/948541058.db2.gz GFYPVLCWKJJAHD-UHFFFAOYSA-N -1 3 375.791 3.455 20 0 GGADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528087776 948541065 /nfs/dbraw/zinc/54/10/65/948541065.db2.gz GFYPVLCWKJJAHD-UHFFFAOYSA-N -1 3 375.791 3.455 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Oc2ccccc2)nc1 ZINC001528506751 948542838 /nfs/dbraw/zinc/54/28/38/948542838.db2.gz RDJZCEBJEBQBJR-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Oc2ccccc2)nc1 ZINC001528506751 948542843 /nfs/dbraw/zinc/54/28/43/948542843.db2.gz RDJZCEBJEBQBJR-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM Cn1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(-c2ccccc2Cl)n1 ZINC001528094367 948542963 /nfs/dbraw/zinc/54/29/63/948542963.db2.gz YFQZAHSLCQEDPC-UHFFFAOYSA-N -1 3 397.801 3.312 20 0 GGADHM Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(-c2ccccc2Cl)n1 ZINC001528094367 948542969 /nfs/dbraw/zinc/54/29/69/948542969.db2.gz YFQZAHSLCQEDPC-UHFFFAOYSA-N -1 3 397.801 3.312 20 0 GGADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528507367 948545012 /nfs/dbraw/zinc/54/50/12/948545012.db2.gz ZKRUFWJPEJANBJ-UHFFFAOYSA-N -1 3 393.378 3.444 20 0 GGADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528507367 948545016 /nfs/dbraw/zinc/54/50/16/948545016.db2.gz ZKRUFWJPEJANBJ-UHFFFAOYSA-N -1 3 393.378 3.444 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)co1 ZINC001539569472 948548022 /nfs/dbraw/zinc/54/80/22/948548022.db2.gz KMCXONKWFCLSAA-BQYQJAHWSA-N -1 3 381.392 3.067 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)co1 ZINC001539569472 948548031 /nfs/dbraw/zinc/54/80/31/948548031.db2.gz KMCXONKWFCLSAA-BQYQJAHWSA-N -1 3 381.392 3.067 20 0 GGADHM O=C(Cc1ccccc1OCc1ccncc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001540587009 948552249 /nfs/dbraw/zinc/55/22/49/948552249.db2.gz WADTZVUHDUOUFP-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1ccccc1OCc1ccncc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001540587009 948552253 /nfs/dbraw/zinc/55/22/53/948552253.db2.gz WADTZVUHDUOUFP-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)cc(Cl)c1F ZINC001558259573 948556394 /nfs/dbraw/zinc/55/63/94/948556394.db2.gz APFPUXLFVSFNCF-ZETCQYMHSA-N -1 3 381.198 3.199 20 0 GGADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)cc(Cl)c1F ZINC001558259573 948556397 /nfs/dbraw/zinc/55/63/97/948556397.db2.gz APFPUXLFVSFNCF-ZETCQYMHSA-N -1 3 381.198 3.199 20 0 GGADHM C[C@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@H](C)C(C)(C)C ZINC001573731727 948595102 /nfs/dbraw/zinc/59/51/02/948595102.db2.gz YBRJZGBHPXKBJE-STQMWFEESA-N -1 3 381.484 3.191 20 0 GGADHM C[C@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@H](C)C(C)(C)C ZINC001573731727 948595107 /nfs/dbraw/zinc/59/51/07/948595107.db2.gz YBRJZGBHPXKBJE-STQMWFEESA-N -1 3 381.484 3.191 20 0 GGADHM C[C@@H](C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC001573755425 948767035 /nfs/dbraw/zinc/76/70/35/948767035.db2.gz DPCLLCHYUNVVDO-AWEZNQCLSA-N -1 3 384.443 3.410 20 0 GGADHM C[C@@H](C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001573755425 948767044 /nfs/dbraw/zinc/76/70/44/948767044.db2.gz DPCLLCHYUNVVDO-AWEZNQCLSA-N -1 3 384.443 3.410 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC001573755791 948782086 /nfs/dbraw/zinc/78/20/86/948782086.db2.gz IJUHJTJOZCKETE-SUMWQHHRSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC001573755791 948782098 /nfs/dbraw/zinc/78/20/98/948782098.db2.gz IJUHJTJOZCKETE-SUMWQHHRSA-N -1 3 379.420 3.413 20 0 GGADHM CC(C)c1cccc(OCC(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001574419321 948782334 /nfs/dbraw/zinc/78/23/34/948782334.db2.gz BHGKXLYSLRIUCK-UHFFFAOYSA-N -1 3 379.464 3.420 20 0 GGADHM CC(C)c1cccc(OCC(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001574419321 948782346 /nfs/dbraw/zinc/78/23/46/948782346.db2.gz BHGKXLYSLRIUCK-UHFFFAOYSA-N -1 3 379.464 3.420 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@](F)(c2ccccc2)C1 ZINC001573756848 948823727 /nfs/dbraw/zinc/82/37/27/948823727.db2.gz UOJVSRGVGHZDSN-QVKFZJNVSA-N -1 3 394.454 3.155 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@](F)(c2ccccc2)C1 ZINC001573756848 948823740 /nfs/dbraw/zinc/82/37/40/948823740.db2.gz UOJVSRGVGHZDSN-QVKFZJNVSA-N -1 3 394.454 3.155 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001574422191 948833343 /nfs/dbraw/zinc/83/33/43/948833343.db2.gz WXWFLEVVOMZDBR-RBUKOAKNSA-N -1 3 391.475 3.289 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001574422191 948833363 /nfs/dbraw/zinc/83/33/63/948833363.db2.gz WXWFLEVVOMZDBR-RBUKOAKNSA-N -1 3 391.475 3.289 20 0 GGADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)c1ccco1 ZINC001573757272 948835097 /nfs/dbraw/zinc/83/50/97/948835097.db2.gz ZKNACFZKOGIRGX-LBPRGKRZSA-N -1 3 376.376 3.389 20 0 GGADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)c1ccco1 ZINC001573757272 948835117 /nfs/dbraw/zinc/83/51/17/948835117.db2.gz ZKNACFZKOGIRGX-LBPRGKRZSA-N -1 3 376.376 3.389 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001574082419 948852918 /nfs/dbraw/zinc/85/29/18/948852918.db2.gz DHUZKZASBXJVTC-POAQFYNOSA-N -1 3 391.475 3.190 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001574082419 948852936 /nfs/dbraw/zinc/85/29/36/948852936.db2.gz DHUZKZASBXJVTC-POAQFYNOSA-N -1 3 391.475 3.190 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cnc(F)c(Cl)c1 ZINC001574082841 948866775 /nfs/dbraw/zinc/86/67/75/948866775.db2.gz LLAWQENXXYLNHR-AWEZNQCLSA-N -1 3 390.806 3.096 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cnc(F)c(Cl)c1 ZINC001574082841 948866795 /nfs/dbraw/zinc/86/67/95/948866795.db2.gz LLAWQENXXYLNHR-AWEZNQCLSA-N -1 3 390.806 3.096 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCc2c1cccc2F ZINC001574082971 948867606 /nfs/dbraw/zinc/86/76/06/948867606.db2.gz MGCKFJAUJWNYMG-PKOBYXMFSA-N -1 3 395.438 3.213 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCc2c1cccc2F ZINC001574082971 948867616 /nfs/dbraw/zinc/86/76/16/948867616.db2.gz MGCKFJAUJWNYMG-PKOBYXMFSA-N -1 3 395.438 3.213 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001574083848 948894194 /nfs/dbraw/zinc/89/41/94/948894194.db2.gz YXFDSXCZEYWRBW-SFHVURJKSA-N -1 3 399.882 3.282 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001574083848 948894206 /nfs/dbraw/zinc/89/42/06/948894206.db2.gz YXFDSXCZEYWRBW-SFHVURJKSA-N -1 3 399.882 3.282 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(CF)cc1 ZINC001574083820 948895248 /nfs/dbraw/zinc/89/52/48/948895248.db2.gz YLLMODLPJAWLMV-SFHVURJKSA-N -1 3 384.411 3.483 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(CF)cc1 ZINC001574083820 948895258 /nfs/dbraw/zinc/89/52/58/948895258.db2.gz YLLMODLPJAWLMV-SFHVURJKSA-N -1 3 384.411 3.483 20 0 GGADHM CC(C)[C@@H]1CCCCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001574088116 948911581 /nfs/dbraw/zinc/91/15/81/948911581.db2.gz AJRZVBPHKNWEHB-SFHVURJKSA-N -1 3 398.511 3.403 20 0 GGADHM CC(C)[C@@H]1CCCCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001574088116 948911594 /nfs/dbraw/zinc/91/15/94/948911594.db2.gz AJRZVBPHKNWEHB-SFHVURJKSA-N -1 3 398.511 3.403 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001574088876 948938926 /nfs/dbraw/zinc/93/89/26/948938926.db2.gz GSZZRMHCPRLEEL-PXNSSMCTSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001574088876 948938943 /nfs/dbraw/zinc/93/89/43/948938943.db2.gz GSZZRMHCPRLEEL-PXNSSMCTSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001574088875 948939499 /nfs/dbraw/zinc/93/94/99/948939499.db2.gz GSZZRMHCPRLEEL-FXAWDEMLSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001574088875 948939501 /nfs/dbraw/zinc/93/95/01/948939501.db2.gz GSZZRMHCPRLEEL-FXAWDEMLSA-N -1 3 381.436 3.203 20 0 GGADHM CC(C)c1ncsc1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001574433860 948966947 /nfs/dbraw/zinc/96/69/47/948966947.db2.gz TVZQLCYOSPKWNB-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1ncsc1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001574433860 948966956 /nfs/dbraw/zinc/96/69/56/948966956.db2.gz TVZQLCYOSPKWNB-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001574434178 948977433 /nfs/dbraw/zinc/97/74/33/948977433.db2.gz YTLSZOMFNKWDLD-UHFFFAOYSA-N -1 3 399.458 3.332 20 0 GGADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001574434178 948977444 /nfs/dbraw/zinc/97/74/44/948977444.db2.gz YTLSZOMFNKWDLD-UHFFFAOYSA-N -1 3 399.458 3.332 20 0 GGADHM CC(F)(F)c1cc(F)ccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575242329 948987844 /nfs/dbraw/zinc/98/78/44/948987844.db2.gz JCHJCZGTNQAJID-UHFFFAOYSA-N -1 3 382.733 3.418 20 0 GGADHM CC(F)(F)c1cc(F)ccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575242329 948987859 /nfs/dbraw/zinc/98/78/59/948987859.db2.gz JCHJCZGTNQAJID-UHFFFAOYSA-N -1 3 382.733 3.418 20 0 GGADHM CC(F)(F)c1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001575242739 948989250 /nfs/dbraw/zinc/98/92/50/948989250.db2.gz KQSJERZBSOSYPL-UHFFFAOYSA-N -1 3 376.342 3.439 20 0 GGADHM CC(F)(F)c1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001575242739 948989256 /nfs/dbraw/zinc/98/92/56/948989256.db2.gz KQSJERZBSOSYPL-UHFFFAOYSA-N -1 3 376.342 3.439 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574090637 948989583 /nfs/dbraw/zinc/98/95/83/948989583.db2.gz MSSNDUUMLPNODZ-DYESRHJHSA-N -1 3 391.479 3.038 20 0 GGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574090637 948989595 /nfs/dbraw/zinc/98/95/95/948989595.db2.gz MSSNDUUMLPNODZ-DYESRHJHSA-N -1 3 391.479 3.038 20 0 GGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ncc(Br)cn1 ZINC001575501353 949009273 /nfs/dbraw/zinc/00/92/73/949009273.db2.gz HFPCLAJWAYMLNP-SSDOTTSWSA-N -1 3 381.234 3.412 20 0 GGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ncc(Br)cn1 ZINC001575501353 949009289 /nfs/dbraw/zinc/00/92/89/949009289.db2.gz HFPCLAJWAYMLNP-SSDOTTSWSA-N -1 3 381.234 3.412 20 0 GGADHM C[C@H](c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cn2)cc1)C(F)(F)F ZINC001575501783 949012042 /nfs/dbraw/zinc/01/20/42/949012042.db2.gz FOIDWCDFSYEGDA-SNVBAGLBSA-N -1 3 377.326 3.285 20 0 GGADHM C[C@H](c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cn2)cc1)C(F)(F)F ZINC001575501783 949012061 /nfs/dbraw/zinc/01/20/61/949012061.db2.gz FOIDWCDFSYEGDA-SNVBAGLBSA-N -1 3 377.326 3.285 20 0 GGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC001574091487 949022999 /nfs/dbraw/zinc/02/29/99/949022999.db2.gz NTCZQMQFGGUXPV-RDJZCZTQSA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC001574091487 949023011 /nfs/dbraw/zinc/02/30/11/949023011.db2.gz NTCZQMQFGGUXPV-RDJZCZTQSA-N -1 3 393.495 3.387 20 0 GGADHM C[C@@H](SCC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC001575504104 949064656 /nfs/dbraw/zinc/06/46/56/949064656.db2.gz SJXRSXYTPRONEP-SNVBAGLBSA-N -1 3 397.439 3.315 20 0 GGADHM C[C@@H](SCC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001575504104 949064677 /nfs/dbraw/zinc/06/46/77/949064677.db2.gz SJXRSXYTPRONEP-SNVBAGLBSA-N -1 3 397.439 3.315 20 0 GGADHM CC(C)C1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001574092498 949066481 /nfs/dbraw/zinc/06/64/81/949066481.db2.gz RRKWXUFDIJULFA-GXOAENINSA-N -1 3 382.512 3.167 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@@H](C)CC2 ZINC001575504435 949070648 /nfs/dbraw/zinc/07/06/48/949070648.db2.gz UMJHCWIQKFOJPA-TUAOUCFPSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@H](Oc1ccccn1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@@H](C)CC2 ZINC001575504435 949070675 /nfs/dbraw/zinc/07/06/75/949070675.db2.gz UMJHCWIQKFOJPA-TUAOUCFPSA-N -1 3 398.492 3.415 20 0 GGADHM C[C@@H](c1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC001575504517 949077310 /nfs/dbraw/zinc/07/73/10/949077310.db2.gz RETHXNTXWKKMQF-NSHDSACASA-N -1 3 375.354 3.463 20 0 GGADHM C[C@@H](c1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC001575504517 949077329 /nfs/dbraw/zinc/07/73/29/949077329.db2.gz RETHXNTXWKKMQF-NSHDSACASA-N -1 3 375.354 3.463 20 0 GGADHM C[C@H](CCO)C1(CNc2ccc(-c3nnn[n-]3)c(Br)c2)CCC1 ZINC001574694770 949091667 /nfs/dbraw/zinc/09/16/67/949091667.db2.gz WCOVRYLWHBGOAE-LLVKDONJSA-N -1 3 380.290 3.230 20 0 GGADHM C[C@H](CCO)C1(CNc2ccc(-c3nn[n-]n3)c(Br)c2)CCC1 ZINC001574694770 949091688 /nfs/dbraw/zinc/09/16/88/949091688.db2.gz WCOVRYLWHBGOAE-LLVKDONJSA-N -1 3 380.290 3.230 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)nc1-c1ccccc1 ZINC001575511712 949132560 /nfs/dbraw/zinc/13/25/60/949132560.db2.gz KYWOPYZKTRYPOF-CQSZACIVSA-N -1 3 387.447 3.100 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)nc1-c1ccccc1 ZINC001575511712 949132583 /nfs/dbraw/zinc/13/25/83/949132583.db2.gz KYWOPYZKTRYPOF-CQSZACIVSA-N -1 3 387.447 3.100 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)S(=O)(=O)Cc1ccccc1Cl ZINC001575512877 949144964 /nfs/dbraw/zinc/14/49/64/949144964.db2.gz PRANSYCSOVKJDB-LBPRGKRZSA-N -1 3 391.884 3.043 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)S(=O)(=O)Cc1ccccc1Cl ZINC001575512877 949144979 /nfs/dbraw/zinc/14/49/79/949144979.db2.gz PRANSYCSOVKJDB-LBPRGKRZSA-N -1 3 391.884 3.043 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001574098498 949159738 /nfs/dbraw/zinc/15/97/38/949159738.db2.gz BDKLUFPYJBCZFM-HRAATJIYSA-N -1 3 391.475 3.321 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001574098498 949159762 /nfs/dbraw/zinc/15/97/62/949159762.db2.gz BDKLUFPYJBCZFM-HRAATJIYSA-N -1 3 391.475 3.321 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001575514551 949166873 /nfs/dbraw/zinc/16/68/73/949166873.db2.gz WVTSVDUUIWLWLQ-ZDUSSCGKSA-N -1 3 391.410 3.025 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001575514551 949166890 /nfs/dbraw/zinc/16/68/90/949166890.db2.gz WVTSVDUUIWLWLQ-ZDUSSCGKSA-N -1 3 391.410 3.025 20 0 GGADHM C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602795685 971557334 /nfs/dbraw/zinc/55/73/34/971557334.db2.gz LJWRIXLALWYGLH-AYOQOUSVSA-N -1 3 389.455 3.362 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574099176 949171596 /nfs/dbraw/zinc/17/15/96/949171596.db2.gz ITUMXNILRHGESS-MAUKXSAKSA-N -1 3 395.467 3.312 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574099176 949171613 /nfs/dbraw/zinc/17/16/13/949171613.db2.gz ITUMXNILRHGESS-MAUKXSAKSA-N -1 3 395.467 3.312 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001574099451 949174780 /nfs/dbraw/zinc/17/47/80/949174780.db2.gz KMRSRFBQLFGCNW-WIYYLYMNSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001574099451 949174793 /nfs/dbraw/zinc/17/47/93/949174793.db2.gz KMRSRFBQLFGCNW-WIYYLYMNSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001574099730 949181427 /nfs/dbraw/zinc/18/14/27/949181427.db2.gz OIWBATVQSYZFLX-KDOFPFPSSA-N -1 3 376.464 3.454 20 0 GGADHM CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001574099730 949181436 /nfs/dbraw/zinc/18/14/36/949181436.db2.gz OIWBATVQSYZFLX-KDOFPFPSSA-N -1 3 376.464 3.454 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc2N1 ZINC001574099689 949183994 /nfs/dbraw/zinc/18/39/94/949183994.db2.gz NKPAOVXZTOKWOZ-AWEZNQCLSA-N -1 3 383.843 3.012 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc2N1 ZINC001574099689 949184013 /nfs/dbraw/zinc/18/40/13/949184013.db2.gz NKPAOVXZTOKWOZ-AWEZNQCLSA-N -1 3 383.843 3.012 20 0 GGADHM CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001574099732 949184128 /nfs/dbraw/zinc/18/41/28/949184128.db2.gz OIWBATVQSYZFLX-RDTXWAMCSA-N -1 3 376.464 3.454 20 0 GGADHM CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001574099732 949184138 /nfs/dbraw/zinc/18/41/38/949184138.db2.gz OIWBATVQSYZFLX-RDTXWAMCSA-N -1 3 376.464 3.454 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC001575515323 949186614 /nfs/dbraw/zinc/18/66/14/949186614.db2.gz HUGWMOMSPNCDEO-HNNXBMFYSA-N -1 3 399.458 3.343 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC001575515323 949186630 /nfs/dbraw/zinc/18/66/30/949186630.db2.gz HUGWMOMSPNCDEO-HNNXBMFYSA-N -1 3 399.458 3.343 20 0 GGADHM CC(C)[C@@H]1N(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC12CCCC2 ZINC001574099917 949187629 /nfs/dbraw/zinc/18/76/29/949187629.db2.gz QNAGBOZADGJTRM-MOPGFXCFSA-N -1 3 394.523 3.263 20 0 GGADHM CC(C)(C(=O)Nc1nccc2ccccc21)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788066 949193090 /nfs/dbraw/zinc/19/30/90/949193090.db2.gz GAXNQAJGJHLZDH-UHFFFAOYSA-N -1 3 376.395 3.470 20 0 GGADHM CC(C)(C(=O)Nc1nccc2ccccc21)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788066 949193102 /nfs/dbraw/zinc/19/31/02/949193102.db2.gz GAXNQAJGJHLZDH-UHFFFAOYSA-N -1 3 376.395 3.470 20 0 GGADHM C[C@H](NC(=O)C1=C(c2ccccc2)SCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575254078 949194688 /nfs/dbraw/zinc/19/46/88/949194688.db2.gz LKZXCWWLFOWSGC-ZDUSSCGKSA-N -1 3 393.472 3.176 20 0 GGADHM C[C@H](NC(=O)C1=C(c2ccccc2)SCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575254078 949194701 /nfs/dbraw/zinc/19/47/01/949194701.db2.gz LKZXCWWLFOWSGC-ZDUSSCGKSA-N -1 3 393.472 3.176 20 0 GGADHM CC(C)(C(=O)Nc1cc2c(cc1Cl)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788709 949207247 /nfs/dbraw/zinc/20/72/47/949207247.db2.gz UEKPTGNVHMYCPM-UHFFFAOYSA-N -1 3 385.811 3.165 20 0 GGADHM CC(C)(C(=O)Nc1cc2c(cc1Cl)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788709 949207267 /nfs/dbraw/zinc/20/72/67/949207267.db2.gz UEKPTGNVHMYCPM-UHFFFAOYSA-N -1 3 385.811 3.165 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC001575516709 949217672 /nfs/dbraw/zinc/21/76/72/949217672.db2.gz QZZXQMCPXOYYAH-NSHDSACASA-N -1 3 395.373 3.203 20 0 GGADHM C[C@@H](c1ccccc1)n1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC001575516709 949217689 /nfs/dbraw/zinc/21/76/89/949217689.db2.gz QZZXQMCPXOYYAH-NSHDSACASA-N -1 3 395.373 3.203 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575517288 949226498 /nfs/dbraw/zinc/22/64/98/949226498.db2.gz UZAINPDFGAQAGP-LIRRHRJNSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575517288 949226519 /nfs/dbraw/zinc/22/65/19/949226519.db2.gz UZAINPDFGAQAGP-LIRRHRJNSA-N -1 3 394.454 3.484 20 0 GGADHM CC(C)c1oncc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574451296 949229071 /nfs/dbraw/zinc/22/90/71/949229071.db2.gz LIJHPBFPMKUCHN-UHFFFAOYSA-N -1 3 391.391 3.418 20 0 GGADHM CC(C)c1oncc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574451296 949229088 /nfs/dbraw/zinc/22/90/88/949229088.db2.gz LIJHPBFPMKUCHN-UHFFFAOYSA-N -1 3 391.391 3.418 20 0 GGADHM C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001575517625 949234695 /nfs/dbraw/zinc/23/46/95/949234695.db2.gz XJWNFGSMCQJKCP-SNVBAGLBSA-N -1 3 397.913 3.104 20 0 GGADHM C[C@H](c1ccccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575517812 949239509 /nfs/dbraw/zinc/23/95/09/949239509.db2.gz YJJZWLZGOZBTON-LLVKDONJSA-N -1 3 375.354 3.317 20 0 GGADHM C[C@H](c1ccccc1F)N(C)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575517812 949239532 /nfs/dbraw/zinc/23/95/32/949239532.db2.gz YJJZWLZGOZBTON-LLVKDONJSA-N -1 3 375.354 3.317 20 0 GGADHM C[C@@H]1CCC[C@@H](C2CN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001576152620 949256492 /nfs/dbraw/zinc/25/64/92/949256492.db2.gz JQYMAVRPLXBLHD-RHSMWYFYSA-N -1 3 385.537 3.385 20 0 GGADHM C[C@@H]1CCC[C@@H](C2CN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001576152620 949256520 /nfs/dbraw/zinc/25/65/20/949256520.db2.gz JQYMAVRPLXBLHD-RHSMWYFYSA-N -1 3 385.537 3.385 20 0 GGADHM C[C@]1(c2ccccc2)CCCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575857787 949277393 /nfs/dbraw/zinc/27/73/93/949277393.db2.gz VSEAQWZWIYNVLU-LJQANCHMSA-N -1 3 383.402 3.496 20 0 GGADHM C[C@]1(c2ccccc2)CCCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575857787 949277412 /nfs/dbraw/zinc/27/74/12/949277412.db2.gz VSEAQWZWIYNVLU-LJQANCHMSA-N -1 3 383.402 3.496 20 0 GGADHM CC1=C(C)C[C@@](C)(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC001575860223 949290861 /nfs/dbraw/zinc/29/08/61/949290861.db2.gz DPTAVPYJKAGLAO-NRFANRHFSA-N -1 3 398.486 3.181 20 0 GGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001576154374 949334390 /nfs/dbraw/zinc/33/43/90/949334390.db2.gz OVODTBOKTOLUBY-VOJFVSQTSA-N -1 3 385.859 3.471 20 0 GGADHM O=C([O-])c1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)cc1 ZINC001595230380 949338001 /nfs/dbraw/zinc/33/80/01/949338001.db2.gz FNLMRDOBTMIGFQ-UHFFFAOYSA-N -1 3 387.237 3.222 20 0 GGADHM CC1=CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC2(C)CC2)CC1 ZINC001575863222 949344048 /nfs/dbraw/zinc/34/40/48/949344048.db2.gz ASUDGHQKJWHCOX-UHFFFAOYSA-N -1 3 376.468 3.082 20 0 GGADHM CC1=CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC2(C)CC2)CC1 ZINC001575863222 949344067 /nfs/dbraw/zinc/34/40/67/949344067.db2.gz ASUDGHQKJWHCOX-UHFFFAOYSA-N -1 3 376.468 3.082 20 0 GGADHM CC1=CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CCCC2)CC1 ZINC001575864866 949365019 /nfs/dbraw/zinc/36/50/19/949365019.db2.gz IWBSUEWDQFYDKJ-UHFFFAOYSA-N -1 3 390.495 3.472 20 0 GGADHM CC1=CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CCCC2)CC1 ZINC001575864866 949365042 /nfs/dbraw/zinc/36/50/42/949365042.db2.gz IWBSUEWDQFYDKJ-UHFFFAOYSA-N -1 3 390.495 3.472 20 0 GGADHM CC(C)n1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)n1 ZINC001574460635 949377855 /nfs/dbraw/zinc/37/78/55/949377855.db2.gz UXPUOTJGNVUTTG-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM CC(C)n1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)n1 ZINC001574460635 949377878 /nfs/dbraw/zinc/37/78/78/949377878.db2.gz UXPUOTJGNVUTTG-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM C[C@@H]1C(=O)CCCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001575865801 949384716 /nfs/dbraw/zinc/38/47/16/949384716.db2.gz MWZKDDPYSUVDAD-CYBMUJFWSA-N -1 3 393.472 3.212 20 0 GGADHM C[C@@H]1C(=O)CCCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001575865801 949384737 /nfs/dbraw/zinc/38/47/37/949384737.db2.gz MWZKDDPYSUVDAD-CYBMUJFWSA-N -1 3 393.472 3.212 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCCO2 ZINC001575263157 949390420 /nfs/dbraw/zinc/39/04/20/949390420.db2.gz FENFSMMTJKHUPI-MARXPDLDSA-N -1 3 375.432 3.082 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)CCCO2 ZINC001575263157 949390445 /nfs/dbraw/zinc/39/04/45/949390445.db2.gz FENFSMMTJKHUPI-MARXPDLDSA-N -1 3 375.432 3.082 20 0 GGADHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001576155773 949417629 /nfs/dbraw/zinc/41/76/29/949417629.db2.gz VBDJVRNBJXUPOE-WDEREUQCSA-N -1 3 378.274 3.185 20 0 GGADHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001576155773 949417641 /nfs/dbraw/zinc/41/76/41/949417641.db2.gz VBDJVRNBJXUPOE-WDEREUQCSA-N -1 3 378.274 3.185 20 0 GGADHM C[C@H]1CCC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001576155771 949418840 /nfs/dbraw/zinc/41/88/40/949418840.db2.gz VBDJVRNBJXUPOE-QWRGUYRKSA-N -1 3 378.274 3.185 20 0 GGADHM C[C@H]1CCC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001576155771 949418853 /nfs/dbraw/zinc/41/88/53/949418853.db2.gz VBDJVRNBJXUPOE-QWRGUYRKSA-N -1 3 378.274 3.185 20 0 GGADHM CC(C)n1ncc2ccc(NC(=O)NCc3ccc(-c4nnn[n-]4)c(F)c3)cc21 ZINC001574468487 949464313 /nfs/dbraw/zinc/46/43/13/949464313.db2.gz LUEGSKOBVPIDTD-UHFFFAOYSA-N -1 3 394.414 3.258 20 0 GGADHM CC(C)n1ncc2ccc(NC(=O)NCc3ccc(-c4nn[n-]n4)c(F)c3)cc21 ZINC001574468487 949464324 /nfs/dbraw/zinc/46/43/24/949464324.db2.gz LUEGSKOBVPIDTD-UHFFFAOYSA-N -1 3 394.414 3.258 20 0 GGADHM Cc1ccc(C(=O)NC2CCN(CCOc3ccccc3C(=O)[O-])CC2)s1 ZINC000183918918 949492042 /nfs/dbraw/zinc/49/20/42/949492042.db2.gz LUGAXQAGYSGQRZ-UHFFFAOYSA-N -1 3 388.489 3.028 20 0 GGADHM C[C@@H](CNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC001574950162 949529734 /nfs/dbraw/zinc/52/97/34/949529734.db2.gz MDEZSGPWVCCMIX-JTQLQIEISA-N -1 3 392.435 3.152 20 0 GGADHM C[C@@H](CNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC001574950162 949529754 /nfs/dbraw/zinc/52/97/54/949529754.db2.gz MDEZSGPWVCCMIX-JTQLQIEISA-N -1 3 392.435 3.152 20 0 GGADHM CC(C)[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C)C1 ZINC001576165930 949572172 /nfs/dbraw/zinc/57/21/72/949572172.db2.gz KKXLXSZYIOWTER-MLGOLLRUSA-N -1 3 377.489 3.381 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576167532 949607225 /nfs/dbraw/zinc/60/72/25/949607225.db2.gz QAIZHFYOQODATO-SCLBCKFNSA-N -1 3 384.484 3.461 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576167532 949607236 /nfs/dbraw/zinc/60/72/36/949607236.db2.gz QAIZHFYOQODATO-SCLBCKFNSA-N -1 3 384.484 3.461 20 0 GGADHM CCCC[C@@H](C(=O)Nc1cc(C)on1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589639506 949663622 /nfs/dbraw/zinc/66/36/22/949663622.db2.gz ZWJXROAPBKOTDJ-KSZLIROESA-N -1 3 385.464 3.281 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001576169189 949666093 /nfs/dbraw/zinc/66/60/93/949666093.db2.gz IJRQXPUEWPKQAA-DGCLKSJQSA-N -1 3 392.301 3.114 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001576169189 949666107 /nfs/dbraw/zinc/66/61/07/949666107.db2.gz IJRQXPUEWPKQAA-DGCLKSJQSA-N -1 3 392.301 3.114 20 0 GGADHM CC(C)(C)[C@H](NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573823478 949834052 /nfs/dbraw/zinc/83/40/52/949834052.db2.gz XLSXKKSTGPIYHJ-RBUKOAKNSA-N -1 3 390.491 3.421 20 0 GGADHM CC(C)(C)[C@H](NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573823478 949834074 /nfs/dbraw/zinc/83/40/74/949834074.db2.gz XLSXKKSTGPIYHJ-RBUKOAKNSA-N -1 3 390.491 3.421 20 0 GGADHM CC(C)(C)[C@@H]1CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)CCO1 ZINC001573825647 949889552 /nfs/dbraw/zinc/88/95/52/949889552.db2.gz AIHLLINJARFNRQ-INIZCTEOSA-N -1 3 395.467 3.090 20 0 GGADHM CC(C)(C)[C@@H]1CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)CCO1 ZINC001573825647 949889578 /nfs/dbraw/zinc/88/95/78/949889578.db2.gz AIHLLINJARFNRQ-INIZCTEOSA-N -1 3 395.467 3.090 20 0 GGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Br ZINC001573825974 949892722 /nfs/dbraw/zinc/89/27/22/949892722.db2.gz CWZDCLBGWXBEIH-MFKMUULPSA-N -1 3 395.305 3.277 20 0 GGADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Br ZINC001573825974 949892741 /nfs/dbraw/zinc/89/27/41/949892741.db2.gz CWZDCLBGWXBEIH-MFKMUULPSA-N -1 3 395.305 3.277 20 0 GGADHM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573826570 949906615 /nfs/dbraw/zinc/90/66/15/949906615.db2.gz HPMKUKHBVMVRJF-QGZVFWFLSA-N -1 3 391.475 3.497 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC000237122294 949950750 /nfs/dbraw/zinc/95/07/50/949950750.db2.gz WEDCCPKUMJGNNV-UHFFFAOYSA-N -1 3 396.915 3.241 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000237148980 949953361 /nfs/dbraw/zinc/95/33/61/949953361.db2.gz OELWGJWEWNZEMP-UHFFFAOYSA-N -1 3 386.517 3.337 20 0 GGADHM CCCOc1c(CNC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cccc1OCC ZINC001589680128 950037824 /nfs/dbraw/zinc/03/78/24/950037824.db2.gz MZMYIYJMTRBROX-BQIYRTECSA-N -1 3 377.481 3.376 20 0 GGADHM CC(C)(C)CC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573839413 950130043 /nfs/dbraw/zinc/13/00/43/950130043.db2.gz UKRANYWSSGOIGP-UHFFFAOYSA-N -1 3 388.491 3.117 20 0 GGADHM CC(C)(C)CC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573839413 950130051 /nfs/dbraw/zinc/13/00/51/950130051.db2.gz UKRANYWSSGOIGP-UHFFFAOYSA-N -1 3 388.491 3.117 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1c1ccccc1 ZINC001576191071 950182773 /nfs/dbraw/zinc/18/27/73/950182773.db2.gz GBLQHKFDQDBPHQ-ACJLOTCBSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)[C@@H]1c1ccccc1 ZINC001576191071 950182784 /nfs/dbraw/zinc/18/27/84/950182784.db2.gz GBLQHKFDQDBPHQ-ACJLOTCBSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1c1ccccc1 ZINC001576191078 950185905 /nfs/dbraw/zinc/18/59/05/950185905.db2.gz GBLQHKFDQDBPHQ-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)[C@H]1c1ccccc1 ZINC001576191078 950185913 /nfs/dbraw/zinc/18/59/13/950185913.db2.gz GBLQHKFDQDBPHQ-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H](CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1nc2ccccc2o1 ZINC001574983013 950195147 /nfs/dbraw/zinc/19/51/47/950195147.db2.gz JNBYMLUOKFXVGY-NSHDSACASA-N -1 3 387.403 3.023 20 0 GGADHM C[C@@H](CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1nc2ccccc2o1 ZINC001574983013 950195157 /nfs/dbraw/zinc/19/51/57/950195157.db2.gz JNBYMLUOKFXVGY-NSHDSACASA-N -1 3 387.403 3.023 20 0 GGADHM CC(C)(C)CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573845102 950215136 /nfs/dbraw/zinc/21/51/36/950215136.db2.gz QSCIWCMQCGYXLZ-UHFFFAOYSA-N -1 3 390.919 3.385 20 0 GGADHM CC(C)(C)OC(=O)N(CCN1Cc2ccc(-c3nnn[n-]3)cc2C1)C(C)(C)C ZINC001573852001 950297931 /nfs/dbraw/zinc/29/79/31/950297931.db2.gz BLBNGPYJXSOTIQ-UHFFFAOYSA-N -1 3 386.500 3.218 20 0 GGADHM CC(C)(C)OC(=O)N(CCN1Cc2ccc(-c3nn[n-]n3)cc2C1)C(C)(C)C ZINC001573852001 950297950 /nfs/dbraw/zinc/29/79/50/950297950.db2.gz BLBNGPYJXSOTIQ-UHFFFAOYSA-N -1 3 386.500 3.218 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573852323 950302145 /nfs/dbraw/zinc/30/21/45/950302145.db2.gz DXIPLVZAILVURX-INIZCTEOSA-N -1 3 398.467 3.082 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573852323 950302165 /nfs/dbraw/zinc/30/21/65/950302165.db2.gz DXIPLVZAILVURX-INIZCTEOSA-N -1 3 398.467 3.082 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](CCN2CCCc3c(-c4nnn[n-]4)cccc32)C1 ZINC001573852107 950302936 /nfs/dbraw/zinc/30/29/36/950302936.db2.gz DEDZCNGZYYWXLJ-HNNXBMFYSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](CCN2CCCc3c(-c4nn[n-]n4)cccc32)C1 ZINC001573852107 950302957 /nfs/dbraw/zinc/30/29/57/950302957.db2.gz DEDZCNGZYYWXLJ-HNNXBMFYSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC001573852380 950307075 /nfs/dbraw/zinc/30/70/75/950307075.db2.gz GHOPPMYRUZZGEK-AWEZNQCLSA-N -1 3 388.447 3.350 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC001573852380 950307100 /nfs/dbraw/zinc/30/71/00/950307100.db2.gz GHOPPMYRUZZGEK-AWEZNQCLSA-N -1 3 388.447 3.350 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](CN2CCCc3c(-c4nnn[n-]4)cccc32)C1 ZINC001573852825 950311521 /nfs/dbraw/zinc/31/15/21/950311521.db2.gz JNNYHTTURVOCHI-OAHLLOKOSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H](CN2CCCc3c(-c4nn[n-]n4)cccc32)C1 ZINC001573852825 950311543 /nfs/dbraw/zinc/31/15/43/950311543.db2.gz JNNYHTTURVOCHI-OAHLLOKOSA-N -1 3 398.511 3.266 20 0 GGADHM CC(C)(C)OC(=O)N1CC(CCOc2c(Cl)cc(F)cc2-c2nnn[n-]2)C1 ZINC001573853527 950326169 /nfs/dbraw/zinc/32/61/69/950326169.db2.gz RALKVWDLVKKKNN-UHFFFAOYSA-N -1 3 397.838 3.295 20 0 GGADHM CC(C)(C)OC(=O)N1CC(CCOc2c(Cl)cc(F)cc2-c2nn[n-]n2)C1 ZINC001573853527 950326190 /nfs/dbraw/zinc/32/61/90/950326190.db2.gz RALKVWDLVKKKNN-UHFFFAOYSA-N -1 3 397.838 3.295 20 0 GGADHM CC(C)(C)Cc1ncc(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC001573855250 950365006 /nfs/dbraw/zinc/36/50/06/950365006.db2.gz MYYPQHULMCINBX-UHFFFAOYSA-N -1 3 390.900 3.495 20 0 GGADHM CC(C)(C)Cc1ncc(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC001573855250 950365022 /nfs/dbraw/zinc/36/50/22/950365022.db2.gz MYYPQHULMCINBX-UHFFFAOYSA-N -1 3 390.900 3.495 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000263367652 950408387 /nfs/dbraw/zinc/40/83/87/950408387.db2.gz UIEYRSQXISAHNH-IDHHARJASA-N -1 3 398.425 3.010 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CNc1cccc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001573861134 950441382 /nfs/dbraw/zinc/44/13/82/950441382.db2.gz UYSGUQKERZFLDL-LBPRGKRZSA-N -1 3 386.378 3.124 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CNc1cccc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001573861134 950441390 /nfs/dbraw/zinc/44/13/90/950441390.db2.gz UYSGUQKERZFLDL-LBPRGKRZSA-N -1 3 386.378 3.124 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001573861645 950452592 /nfs/dbraw/zinc/45/25/92/950452592.db2.gz GNVXGXRNXOFGDG-WDEREUQCSA-N -1 3 391.859 3.217 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001573861645 950452602 /nfs/dbraw/zinc/45/26/02/950452602.db2.gz GNVXGXRNXOFGDG-WDEREUQCSA-N -1 3 391.859 3.217 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263435203 950463732 /nfs/dbraw/zinc/46/37/32/950463732.db2.gz ZRILTWCKEGVNNF-UHFFFAOYSA-N -1 3 389.883 3.312 20 0 GGADHM C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000263467629 950477211 /nfs/dbraw/zinc/47/72/11/950477211.db2.gz KJXYQNBQSKVDIO-KRWDZBQOSA-N -1 3 381.476 3.191 20 0 GGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573863510 950480472 /nfs/dbraw/zinc/48/04/72/950480472.db2.gz KIIRUNVBIPFWGQ-SFHVURJKSA-N -1 3 397.454 3.048 20 0 GGADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573863510 950480488 /nfs/dbraw/zinc/48/04/88/950480488.db2.gz KIIRUNVBIPFWGQ-SFHVURJKSA-N -1 3 397.454 3.048 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCO1 ZINC001574167632 950489789 /nfs/dbraw/zinc/48/97/89/950489789.db2.gz GRWWMOHKVMBHDX-JKSUJKDBSA-N -1 3 384.484 3.459 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCO1 ZINC001574167632 950489799 /nfs/dbraw/zinc/48/97/99/950489799.db2.gz GRWWMOHKVMBHDX-JKSUJKDBSA-N -1 3 384.484 3.459 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573864023 950494563 /nfs/dbraw/zinc/49/45/63/950494563.db2.gz WPOMMXXNMQCNBH-UHFFFAOYSA-N -1 3 397.410 3.142 20 0 GGADHM CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573864023 950494573 /nfs/dbraw/zinc/49/45/73/950494573.db2.gz WPOMMXXNMQCNBH-UHFFFAOYSA-N -1 3 397.410 3.142 20 0 GGADHM CC(C)C[C@H]1CCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001574168130 950503082 /nfs/dbraw/zinc/50/30/82/950503082.db2.gz PMZGPMSPRZUNPF-OAHLLOKOSA-N -1 3 384.484 3.013 20 0 GGADHM CC(C)C[C@H]1CCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001574168130 950503097 /nfs/dbraw/zinc/50/30/97/950503097.db2.gz PMZGPMSPRZUNPF-OAHLLOKOSA-N -1 3 384.484 3.013 20 0 GGADHM CC(C)([C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001602846225 971677711 /nfs/dbraw/zinc/67/77/11/971677711.db2.gz JEGAAONNEBJDGG-JJRVBVJISA-N -1 3 380.435 3.107 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001573873524 950646108 /nfs/dbraw/zinc/64/61/08/950646108.db2.gz OKKNNCHOGSKQPN-VXGBXAGGSA-N -1 3 375.498 3.339 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC001573873524 950646121 /nfs/dbraw/zinc/64/61/21/950646121.db2.gz OKKNNCHOGSKQPN-VXGBXAGGSA-N -1 3 375.498 3.339 20 0 GGADHM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575623197 950649270 /nfs/dbraw/zinc/64/92/70/950649270.db2.gz IYXJCUYRGMUAET-QGZVFWFLSA-N -1 3 394.454 3.484 20 0 GGADHM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575623197 950649284 /nfs/dbraw/zinc/64/92/84/950649284.db2.gz IYXJCUYRGMUAET-QGZVFWFLSA-N -1 3 394.454 3.484 20 0 GGADHM CC(C)(C)Oc1cccc(COC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001573875995 950658131 /nfs/dbraw/zinc/65/81/31/950658131.db2.gz BDWVAZFTEXCTEX-UHFFFAOYSA-N -1 3 382.420 3.166 20 0 GGADHM CC(C)(C)Oc1cccc(COC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001573875995 950658143 /nfs/dbraw/zinc/65/81/43/950658143.db2.gz BDWVAZFTEXCTEX-UHFFFAOYSA-N -1 3 382.420 3.166 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NC[C@]2(C)CCCS2)cc1-c1nnn[n-]1 ZINC001573876015 950659408 /nfs/dbraw/zinc/65/94/08/950659408.db2.gz BLKNBAYINSMVFH-SFHVURJKSA-N -1 3 390.513 3.451 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)NC[C@]2(C)CCCS2)cc1-c1nn[n-]n1 ZINC001573876015 950659418 /nfs/dbraw/zinc/65/94/18/950659418.db2.gz BLKNBAYINSMVFH-SFHVURJKSA-N -1 3 390.513 3.451 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@@]23CCO[C@@H]2CCCC3)cc1-c1nnn[n-]1 ZINC001573876299 950666207 /nfs/dbraw/zinc/66/62/07/950666207.db2.gz KAVWQCPMKIOQEE-UZLBHIALSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@@]23CCO[C@@H]2CCCC3)cc1-c1nn[n-]n1 ZINC001573876299 950666219 /nfs/dbraw/zinc/66/62/19/950666219.db2.gz KAVWQCPMKIOQEE-UZLBHIALSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@]23CCO[C@@H]2CCCC3)cc1-c1nnn[n-]1 ZINC001573876298 950669012 /nfs/dbraw/zinc/66/90/12/950669012.db2.gz KAVWQCPMKIOQEE-OXQOHEQNSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)[C@]23CCO[C@@H]2CCCC3)cc1-c1nn[n-]n1 ZINC001573876298 950669020 /nfs/dbraw/zinc/66/90/20/950669020.db2.gz KAVWQCPMKIOQEE-OXQOHEQNSA-N -1 3 385.468 3.332 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cc3c[nH]ccc-3n2)cc1-c1nnn[n-]1 ZINC001573876354 950670732 /nfs/dbraw/zinc/67/07/32/950670732.db2.gz MISNQDBBOKIDPR-UHFFFAOYSA-N -1 3 377.408 3.173 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cc3c[nH]ccc-3n2)cc1-c1nn[n-]n1 ZINC001573876354 950670737 /nfs/dbraw/zinc/67/07/37/950670737.db2.gz MISNQDBBOKIDPR-UHFFFAOYSA-N -1 3 377.408 3.173 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cc(F)c(F)cc2N)cc1-c1nnn[n-]1 ZINC001573876384 950671262 /nfs/dbraw/zinc/67/12/62/950671262.db2.gz NMVGVLQNSYCWHD-UHFFFAOYSA-N -1 3 388.378 3.157 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cc(F)c(F)cc2N)cc1-c1nn[n-]n1 ZINC001573876384 950671277 /nfs/dbraw/zinc/67/12/77/950671277.db2.gz NMVGVLQNSYCWHD-UHFFFAOYSA-N -1 3 388.378 3.157 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2Cc2ccsc2)C1 ZINC001576214628 950680519 /nfs/dbraw/zinc/68/05/19/950680519.db2.gz RHADGAORHJZHHH-CYBMUJFWSA-N -1 3 392.492 3.081 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2Cc2ccsc2)C1 ZINC001576214628 950680534 /nfs/dbraw/zinc/68/05/34/950680534.db2.gz RHADGAORHJZHHH-CYBMUJFWSA-N -1 3 392.492 3.081 20 0 GGADHM CC(C)(C)SCCCC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573876940 950682055 /nfs/dbraw/zinc/68/20/55/950682055.db2.gz XANQMWXNOYJMBF-UHFFFAOYSA-N -1 3 399.524 3.362 20 0 GGADHM CC(C)(C)SCCCC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573876940 950682076 /nfs/dbraw/zinc/68/20/76/950682076.db2.gz XANQMWXNOYJMBF-UHFFFAOYSA-N -1 3 399.524 3.362 20 0 GGADHM CC1(C)[C@H](NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1OCc1ccccc1 ZINC001575625662 950692020 /nfs/dbraw/zinc/69/20/20/950692020.db2.gz UKBKYRYFGNVWKJ-MSOLQXFVSA-N -1 3 395.438 3.120 20 0 GGADHM CC1(C)[C@H](NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1OCc1ccccc1 ZINC001575625662 950692033 /nfs/dbraw/zinc/69/20/33/950692033.db2.gz UKBKYRYFGNVWKJ-MSOLQXFVSA-N -1 3 395.438 3.120 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)[C@@H]1CCCO1 ZINC001574519760 950695973 /nfs/dbraw/zinc/69/59/73/950695973.db2.gz HXZMTGKPBKGRNP-GUYCJALGSA-N -1 3 394.435 3.198 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)[C@@H]1CCCO1 ZINC001574519760 950695985 /nfs/dbraw/zinc/69/59/85/950695985.db2.gz HXZMTGKPBKGRNP-GUYCJALGSA-N -1 3 394.435 3.198 20 0 GGADHM CC1(C)C=Cc2cccc(NC(=O)COc3ccc(-c4nn[n-]n4)cc3)c2O1 ZINC001575626026 950704751 /nfs/dbraw/zinc/70/47/51/950704751.db2.gz WFVGOZDJOMQXJX-UHFFFAOYSA-N -1 3 377.404 3.068 20 0 GGADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001576215820 950711060 /nfs/dbraw/zinc/71/10/60/950711060.db2.gz GJUCNXHLSSYYBU-DIFFPNOSSA-N -1 3 395.467 3.072 20 0 GGADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001576215820 950711081 /nfs/dbraw/zinc/71/10/81/950711081.db2.gz GJUCNXHLSSYYBU-DIFFPNOSSA-N -1 3 395.467 3.072 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CC2)C[C@@H]1C ZINC001576215966 950719332 /nfs/dbraw/zinc/71/93/32/950719332.db2.gz XIDZTRVSFYBKLD-KGLIPLIRSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@@H]1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CC2)C[C@@H]1C ZINC001576215966 950719343 /nfs/dbraw/zinc/71/93/43/950719343.db2.gz XIDZTRVSFYBKLD-KGLIPLIRSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@H]1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CC2)C[C@H]1C ZINC001576215969 950720621 /nfs/dbraw/zinc/72/06/21/950720621.db2.gz XIDZTRVSFYBKLD-UONOGXRCSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@H]1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CC2)C[C@H]1C ZINC001576215969 950720625 /nfs/dbraw/zinc/72/06/25/950720625.db2.gz XIDZTRVSFYBKLD-UONOGXRCSA-N -1 3 378.484 3.018 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574520259 950721955 /nfs/dbraw/zinc/72/19/55/950721955.db2.gz OKEDDOKZHCVMBA-SNVBAGLBSA-N -1 3 375.230 3.021 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574520259 950721973 /nfs/dbraw/zinc/72/19/73/950721973.db2.gz OKEDDOKZHCVMBA-SNVBAGLBSA-N -1 3 375.230 3.021 20 0 GGADHM C[C@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CCC2(C)CC2)C1 ZINC001576216046 950724332 /nfs/dbraw/zinc/72/43/32/950724332.db2.gz YCJUHFHQQCASRS-AWEZNQCLSA-N -1 3 378.484 3.162 20 0 GGADHM C[C@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CCC2(C)CC2)C1 ZINC001576216046 950724350 /nfs/dbraw/zinc/72/43/50/950724350.db2.gz YCJUHFHQQCASRS-AWEZNQCLSA-N -1 3 378.484 3.162 20 0 GGADHM CC(C)(C)c1c[nH]c(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001573879562 950729342 /nfs/dbraw/zinc/72/93/42/950729342.db2.gz FJQVHSKKVCHTCX-UHFFFAOYSA-N -1 3 391.888 3.272 20 0 GGADHM CC(C)(C)c1c[nH]c(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001573879562 950729351 /nfs/dbraw/zinc/72/93/51/950729351.db2.gz FJQVHSKKVCHTCX-UHFFFAOYSA-N -1 3 391.888 3.272 20 0 GGADHM C[C@@H](CC(C)(C)C)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001574520583 950737423 /nfs/dbraw/zinc/73/74/23/950737423.db2.gz VBVJTLAGXOZDAD-ZDUSSCGKSA-N -1 3 376.530 3.224 20 0 GGADHM C[C@@H](CC(C)(C)C)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001574520583 950737434 /nfs/dbraw/zinc/73/74/34/950737434.db2.gz VBVJTLAGXOZDAD-ZDUSSCGKSA-N -1 3 376.530 3.224 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574520619 950744833 /nfs/dbraw/zinc/74/48/33/950744833.db2.gz VNIZPXBQDVCGBE-VIFPVBQESA-N -1 3 376.214 3.355 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574520619 950744848 /nfs/dbraw/zinc/74/48/48/950744848.db2.gz VNIZPXBQDVCGBE-VIFPVBQESA-N -1 3 376.214 3.355 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)c(-c3nnn[n-]3)cc2C1 ZINC001576216967 950751961 /nfs/dbraw/zinc/75/19/61/950751961.db2.gz LBWILCORAHSQBQ-DDTOSNHZSA-N -1 3 380.477 3.190 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)c(-c3nn[n-]n3)cc2C1 ZINC001576216967 950751978 /nfs/dbraw/zinc/75/19/78/950751978.db2.gz LBWILCORAHSQBQ-DDTOSNHZSA-N -1 3 380.477 3.190 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCc4cc(F)ccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576217282 950753830 /nfs/dbraw/zinc/75/38/30/950753830.db2.gz LSDQDROSUCRVHF-BDJLRTHQSA-N -1 3 392.438 3.194 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCc4cc(F)ccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576217282 950753839 /nfs/dbraw/zinc/75/38/39/950753839.db2.gz LSDQDROSUCRVHF-BDJLRTHQSA-N -1 3 392.438 3.194 20 0 GGADHM C[C@H]1CCc2sc(NC(=O)COC(F)(F)F)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576217288 950754940 /nfs/dbraw/zinc/75/49/40/950754940.db2.gz LUHKADIEIZJPGM-BQBZGAKWSA-N -1 3 375.376 3.089 20 0 GGADHM C[C@H]1CCc2sc(NC(=O)COC(F)(F)F)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576217288 950754948 /nfs/dbraw/zinc/75/49/48/950754948.db2.gz LUHKADIEIZJPGM-BQBZGAKWSA-N -1 3 375.376 3.089 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CCN(c3cccc(F)c3)CC2)n1 ZINC001573881846 950759270 /nfs/dbraw/zinc/75/92/70/950759270.db2.gz IZMFDFJAPNULIY-UHFFFAOYSA-N -1 3 381.459 3.025 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CCN(c3cccc(F)c3)CC2)n1 ZINC001573881846 950759278 /nfs/dbraw/zinc/75/92/78/950759278.db2.gz IZMFDFJAPNULIY-UHFFFAOYSA-N -1 3 381.459 3.025 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000312605310 950764423 /nfs/dbraw/zinc/76/44/23/950764423.db2.gz YVBZNKIPLXJCTP-RBUKOAKNSA-N -1 3 375.513 3.039 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)CCCc3cccs3)c(-c3nnn[n-]3)cc2C1 ZINC001576217716 950768187 /nfs/dbraw/zinc/76/81/87/950768187.db2.gz NZVUIZBADAWERJ-LBPRGKRZSA-N -1 3 382.493 3.409 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)CCCc3cccs3)c(-c3nn[n-]n3)cc2C1 ZINC001576217716 950768197 /nfs/dbraw/zinc/76/81/97/950768197.db2.gz NZVUIZBADAWERJ-LBPRGKRZSA-N -1 3 382.493 3.409 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3cc4c(o3)CCCC4)c(-c3nnn[n-]3)cc2C1 ZINC001576217772 950769995 /nfs/dbraw/zinc/76/99/95/950769995.db2.gz OONPLRGZMYAMEU-LLVKDONJSA-N -1 3 378.436 3.111 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)c3cc4c(o3)CCCC4)c(-c3nn[n-]n3)cc2C1 ZINC001576217772 950770008 /nfs/dbraw/zinc/77/00/08/950770008.db2.gz OONPLRGZMYAMEU-LLVKDONJSA-N -1 3 378.436 3.111 20 0 GGADHM C[C@H]1c2c(sc(NC(=O)c3ncc4n3CCCC4)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576217966 950777159 /nfs/dbraw/zinc/77/71/59/950777159.db2.gz PQTWDFHCJSDTTD-WDEREUQCSA-N -1 3 397.508 3.399 20 0 GGADHM C[C@H]1c2c(sc(NC(=O)c3ncc4n3CCCC4)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576217966 950777169 /nfs/dbraw/zinc/77/71/69/950777169.db2.gz PQTWDFHCJSDTTD-WDEREUQCSA-N -1 3 397.508 3.399 20 0 GGADHM CC(C)(C)c1csc(NC(=O)c2nccc3cccnc32)c1-c1nnn[n-]1 ZINC001573883990 950777291 /nfs/dbraw/zinc/77/72/91/950777291.db2.gz AQCQLLXTWAAWPM-UHFFFAOYSA-N -1 3 379.449 3.421 20 0 GGADHM CC(C)(C)c1csc(NC(=O)c2nccc3cccnc32)c1-c1nn[n-]n1 ZINC001573883990 950777299 /nfs/dbraw/zinc/77/72/99/950777299.db2.gz AQCQLLXTWAAWPM-UHFFFAOYSA-N -1 3 379.449 3.421 20 0 GGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCC[C@H](NC2CC2)C(F)(F)F)n1 ZINC001573882308 950778259 /nfs/dbraw/zinc/77/82/59/950778259.db2.gz YVZWFIZDZXSCKY-ZDUSSCGKSA-N -1 3 383.422 3.044 20 0 GGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCC[C@H](NC2CC2)C(F)(F)F)n1 ZINC001573882308 950778278 /nfs/dbraw/zinc/77/82/78/950778278.db2.gz YVZWFIZDZXSCKY-ZDUSSCGKSA-N -1 3 383.422 3.044 20 0 GGADHM CC(C)(C)c1csc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001573884215 950789582 /nfs/dbraw/zinc/78/95/82/950789582.db2.gz LMZJIKCGIVXVJE-CQSZACIVSA-N -1 3 382.493 3.428 20 0 GGADHM CC(C)(C)c1csc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001573884215 950789597 /nfs/dbraw/zinc/78/95/97/950789597.db2.gz LMZJIKCGIVXVJE-CQSZACIVSA-N -1 3 382.493 3.428 20 0 GGADHM CC(C)(C)c1nc(Sc2cc(Br)ccc2-c2nnn[n-]2)n[nH]1 ZINC001573884290 950791304 /nfs/dbraw/zinc/79/13/04/950791304.db2.gz CKZCZZQJMIHUGI-UHFFFAOYSA-N -1 3 380.275 3.196 20 0 GGADHM CC(C)(C)c1nc(Sc2cc(Br)ccc2-c2nn[n-]n2)n[nH]1 ZINC001573884290 950791314 /nfs/dbraw/zinc/79/13/14/950791314.db2.gz CKZCZZQJMIHUGI-UHFFFAOYSA-N -1 3 380.275 3.196 20 0 GGADHM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001574185530 950801783 /nfs/dbraw/zinc/80/17/83/950801783.db2.gz ZTQMDEXUOOEOGF-HNNXBMFYSA-N -1 3 389.456 3.102 20 0 GGADHM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001574185530 950801805 /nfs/dbraw/zinc/80/18/05/950801805.db2.gz ZTQMDEXUOOEOGF-HNNXBMFYSA-N -1 3 389.456 3.102 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N[C@]23CCC[C@H]2OCC3)c1-c1nnn[n-]1 ZINC001573884747 950806852 /nfs/dbraw/zinc/80/68/52/950806852.db2.gz OLPAYMLTVMCHTA-DIFFPNOSSA-N -1 3 376.486 3.059 20 0 GGADHM CC(C)(C)c1csc(NC(=O)N[C@]23CCC[C@H]2OCC3)c1-c1nn[n-]n1 ZINC001573884747 950806866 /nfs/dbraw/zinc/80/68/66/950806866.db2.gz OLPAYMLTVMCHTA-DIFFPNOSSA-N -1 3 376.486 3.059 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)CCc3cc(F)ccc3F)c(-c3nnn[n-]3)cc2C1 ZINC001576219778 950814216 /nfs/dbraw/zinc/81/42/16/950814216.db2.gz UPWOECLDEKTRHO-NSHDSACASA-N -1 3 398.417 3.236 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)CCc3cc(F)ccc3F)c(-c3nn[n-]n3)cc2C1 ZINC001576219778 950814251 /nfs/dbraw/zinc/81/42/51/950814251.db2.gz UPWOECLDEKTRHO-NSHDSACASA-N -1 3 398.417 3.236 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001573885422 950821754 /nfs/dbraw/zinc/82/17/54/950821754.db2.gz WBYVMYVCENHHCF-VAWYXSNFSA-N -1 3 391.475 3.373 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001573885422 950821775 /nfs/dbraw/zinc/82/17/75/950821775.db2.gz WBYVMYVCENHHCF-VAWYXSNFSA-N -1 3 391.475 3.373 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c2-c2nnn[n-]2)C1 ZINC001576220867 950837807 /nfs/dbraw/zinc/83/78/07/950837807.db2.gz XLWZZAUOSWLFFK-LEWSCRJBSA-N -1 3 380.477 3.190 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c2-c2nn[n-]n2)C1 ZINC001576220867 950837828 /nfs/dbraw/zinc/83/78/28/950837828.db2.gz XLWZZAUOSWLFFK-LEWSCRJBSA-N -1 3 380.477 3.190 20 0 GGADHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)n1 ZINC001573885897 950840901 /nfs/dbraw/zinc/84/09/01/950840901.db2.gz WQLPVVCCVNTUQX-UHFFFAOYSA-N -1 3 395.467 3.386 20 0 GGADHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)n1 ZINC001573885897 950840927 /nfs/dbraw/zinc/84/09/27/950840927.db2.gz WQLPVVCCVNTUQX-UHFFFAOYSA-N -1 3 395.467 3.386 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ncc4c(F)cccn43)c2-c2nnn[n-]2)C1 ZINC001576220996 950842405 /nfs/dbraw/zinc/84/24/05/950842405.db2.gz YQWIXKRQJZOTPJ-SECBINFHSA-N -1 3 397.439 3.092 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)c3ncc4c(F)cccn43)c2-c2nn[n-]n2)C1 ZINC001576220996 950842421 /nfs/dbraw/zinc/84/24/21/950842421.db2.gz YQWIXKRQJZOTPJ-SECBINFHSA-N -1 3 397.439 3.092 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001573887636 950848885 /nfs/dbraw/zinc/84/88/85/950848885.db2.gz GTADSGXXRNIJSA-SJORKVTESA-N -1 3 394.479 3.152 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001573887636 950848901 /nfs/dbraw/zinc/84/89/01/950848901.db2.gz GTADSGXXRNIJSA-SJORKVTESA-N -1 3 394.479 3.152 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001573888245 950865772 /nfs/dbraw/zinc/86/57/72/950865772.db2.gz SHWMXLFTZYVELY-UHFFFAOYSA-N -1 3 379.399 3.363 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001573888245 950865787 /nfs/dbraw/zinc/86/57/87/950865787.db2.gz SHWMXLFTZYVELY-UHFFFAOYSA-N -1 3 379.399 3.363 20 0 GGADHM CC1(C)CC(Cn2c(-c3cccc(-c4nnn[n-]4)c3)nnc2N2CC=CCC2)C1 ZINC001575640110 950886237 /nfs/dbraw/zinc/88/62/37/950886237.db2.gz XHQVACYIAZPYKQ-UHFFFAOYSA-N -1 3 390.495 3.328 20 0 GGADHM CC1(C)CC(Cn2c(-c3cccc(-c4nn[n-]n4)c3)nnc2N2CC=CCC2)C1 ZINC001575640110 950886256 /nfs/dbraw/zinc/88/62/56/950886256.db2.gz XHQVACYIAZPYKQ-UHFFFAOYSA-N -1 3 390.495 3.328 20 0 GGADHM CC1(C)C[C@@]1(C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001575641016 950911846 /nfs/dbraw/zinc/91/18/46/950911846.db2.gz NRPMWNJRJUWTBH-FQEVSTJZSA-N -1 3 378.436 3.220 20 0 GGADHM CC1(C)C[C@@]1(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001575641016 950911862 /nfs/dbraw/zinc/91/18/62/950911862.db2.gz NRPMWNJRJUWTBH-FQEVSTJZSA-N -1 3 378.436 3.220 20 0 GGADHM CC(C)CCC[C@H](C)NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574191394 950925951 /nfs/dbraw/zinc/92/59/51/950925951.db2.gz HGUBQBXEPJBXGK-HNNXBMFYSA-N -1 3 396.499 3.448 20 0 GGADHM CC(C)CCC[C@H](C)NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574191394 950925964 /nfs/dbraw/zinc/92/59/64/950925964.db2.gz HGUBQBXEPJBXGK-HNNXBMFYSA-N -1 3 396.499 3.448 20 0 GGADHM CC(C)CCC[C@@H](C)NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574191395 950927290 /nfs/dbraw/zinc/92/72/90/950927290.db2.gz HGUBQBXEPJBXGK-OAHLLOKOSA-N -1 3 396.499 3.448 20 0 GGADHM CC(C)CCC[C@@H](C)NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574191395 950927300 /nfs/dbraw/zinc/92/73/00/950927300.db2.gz HGUBQBXEPJBXGK-OAHLLOKOSA-N -1 3 396.499 3.448 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575937107 950937831 /nfs/dbraw/zinc/93/78/31/950937831.db2.gz CIYGSXROIJCXES-YPMHNXCESA-N -1 3 385.269 3.407 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575937107 950937850 /nfs/dbraw/zinc/93/78/50/950937850.db2.gz CIYGSXROIJCXES-YPMHNXCESA-N -1 3 385.269 3.407 20 0 GGADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2c(C(=O)[O-])cnn2C)CC1 ZINC001590378823 950943528 /nfs/dbraw/zinc/94/35/28/950943528.db2.gz XZYQZXMRIPJMNE-GOSISDBHSA-N -1 3 399.491 3.067 20 0 GGADHM CC1(C)C[C@]1(C)CNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001575643166 950961032 /nfs/dbraw/zinc/96/10/32/950961032.db2.gz YVNYQRJZVVJANF-MLGOLLRUSA-N -1 3 382.390 3.206 20 0 GGADHM CC1(C)C[C@]1(C)CNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001575643166 950961044 /nfs/dbraw/zinc/96/10/44/950961044.db2.gz YVNYQRJZVVJANF-MLGOLLRUSA-N -1 3 382.390 3.206 20 0 GGADHM CC1(C)C[C@]1(C)CNC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001575643164 950961085 /nfs/dbraw/zinc/96/10/85/950961085.db2.gz YVNYQRJZVVJANF-BLLLJJGKSA-N -1 3 382.390 3.206 20 0 GGADHM CC1(C)C[C@]1(C)CNC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001575643164 950961104 /nfs/dbraw/zinc/96/11/04/950961104.db2.gz YVNYQRJZVVJANF-BLLLJJGKSA-N -1 3 382.390 3.206 20 0 GGADHM CC(C)C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)CC(=O)[O-] ZINC000323323606 951045923 /nfs/dbraw/zinc/04/59/23/951045923.db2.gz JSYCUKIRDHMLQY-IBGZPJMESA-N -1 3 375.513 3.041 20 0 GGADHM CCC(CC)(CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C(=O)[O-] ZINC000323336398 951046262 /nfs/dbraw/zinc/04/62/62/951046262.db2.gz OBKTWNDJPSYLQS-QGZVFWFLSA-N -1 3 375.513 3.041 20 0 GGADHM CCC(CC)(CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C(=O)[O-] ZINC000323336397 951046345 /nfs/dbraw/zinc/04/63/45/951046345.db2.gz OBKTWNDJPSYLQS-KRWDZBQOSA-N -1 3 375.513 3.041 20 0 GGADHM O=C([O-])CC[C@@H]1CCCCN1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC001595012923 951271867 /nfs/dbraw/zinc/27/18/67/951271867.db2.gz WOWPNLKWWADAQI-INIZCTEOSA-N -1 3 388.489 3.068 20 0 GGADHM CCOc1ccc(Cl)cc1CN1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592663467 951347738 /nfs/dbraw/zinc/34/77/38/951347738.db2.gz XVBWTVJKBAAWOY-UKRRQHHQSA-N -1 3 377.872 3.163 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000397958989 951576719 /nfs/dbraw/zinc/57/67/19/951576719.db2.gz OEBVUCWUYVNMER-RBUKOAKNSA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000397958990 951576971 /nfs/dbraw/zinc/57/69/71/951576971.db2.gz OEBVUCWUYVNMER-RTBURBONSA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCCN(Cc2cccn2C2CC2)C1 ZINC001602883222 971771756 /nfs/dbraw/zinc/77/17/56/971771756.db2.gz XVYZQDMJRONZCG-INIZCTEOSA-N -1 3 391.512 3.357 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CNCCC(C)(C)C(=O)[O-])sc2C1 ZINC001602894914 971813348 /nfs/dbraw/zinc/81/33/48/971813348.db2.gz GLHMHLHWPCWDNK-UHFFFAOYSA-N -1 3 383.514 3.027 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001595192457 952289553 /nfs/dbraw/zinc/28/95/53/952289553.db2.gz IBYDWUYXCNUYAX-HNNXBMFYSA-N -1 3 391.349 3.140 20 0 GGADHM C[C@H](COc1ccccc1F)Nc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575175789 952388980 /nfs/dbraw/zinc/38/89/80/952388980.db2.gz DOPSMIRITPTTJH-SECBINFHSA-N -1 3 393.220 3.043 20 0 GGADHM C[C@H](COc1ccccc1F)Nc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575175789 952388983 /nfs/dbraw/zinc/38/89/83/952388983.db2.gz DOPSMIRITPTTJH-SECBINFHSA-N -1 3 393.220 3.043 20 0 GGADHM C[C@H](COc1cccc(F)c1)Nc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001575177300 952401000 /nfs/dbraw/zinc/40/10/00/952401000.db2.gz LFRIJCMAKQFCJC-SECBINFHSA-N -1 3 393.220 3.043 20 0 GGADHM C[C@H](COc1cccc(F)c1)Nc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001575177300 952401003 /nfs/dbraw/zinc/40/10/03/952401003.db2.gz LFRIJCMAKQFCJC-SECBINFHSA-N -1 3 393.220 3.043 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575177653 952402657 /nfs/dbraw/zinc/40/26/57/952402657.db2.gz MBTIWEJSTLNQTJ-HOTGVXAUSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@@H](COCC1CCCCC1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575177653 952402661 /nfs/dbraw/zinc/40/26/61/952402661.db2.gz MBTIWEJSTLNQTJ-HOTGVXAUSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575179041 952410380 /nfs/dbraw/zinc/41/03/80/952410380.db2.gz SJVBGCFNLDALSR-AUUYWEPGSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575179041 952410386 /nfs/dbraw/zinc/41/03/86/952410386.db2.gz SJVBGCFNLDALSR-AUUYWEPGSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@H](CNc1nnccc1-c1nnn[n-]1)Sc1ccc(Br)cc1 ZINC001575181184 952421913 /nfs/dbraw/zinc/42/19/13/952421913.db2.gz ZXOKAYGJTIKXLC-SECBINFHSA-N -1 3 392.286 3.012 20 0 GGADHM C[C@H](CNc1nnccc1-c1nn[n-]n1)Sc1ccc(Br)cc1 ZINC001575181184 952421917 /nfs/dbraw/zinc/42/19/17/952421917.db2.gz ZXOKAYGJTIKXLC-SECBINFHSA-N -1 3 392.286 3.012 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001575185308 952431509 /nfs/dbraw/zinc/43/15/09/952431509.db2.gz PEDLCYMSDYUMKT-CQSZACIVSA-N -1 3 399.882 3.236 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001575185308 952431516 /nfs/dbraw/zinc/43/15/16/952431516.db2.gz PEDLCYMSDYUMKT-CQSZACIVSA-N -1 3 399.882 3.236 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(C(C)(C)C)cn1 ZINC001575187720 952443494 /nfs/dbraw/zinc/44/34/94/952443494.db2.gz FFVSAVGBLCMMDU-AWEZNQCLSA-N -1 3 379.464 3.481 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C(C)(C)C)cn1 ZINC001575187720 952443498 /nfs/dbraw/zinc/44/34/98/952443498.db2.gz FFVSAVGBLCMMDU-AWEZNQCLSA-N -1 3 379.464 3.481 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC001575188213 952447979 /nfs/dbraw/zinc/44/79/79/952447979.db2.gz HWPJGPGHVHAMHG-JTQLQIEISA-N -1 3 381.827 3.214 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC001575188651 952450179 /nfs/dbraw/zinc/45/01/79/952450179.db2.gz JYMSCBMAPPYHOT-LBPRGKRZSA-N -1 3 394.460 3.078 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC001575188651 952450184 /nfs/dbraw/zinc/45/01/84/952450184.db2.gz JYMSCBMAPPYHOT-LBPRGKRZSA-N -1 3 394.460 3.078 20 0 GGADHM C[C@@](Cc1ccccc1)(NC(=O)NCc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001575189034 952452774 /nfs/dbraw/zinc/45/27/74/952452774.db2.gz MTTOVQDVCVDIMU-IBGZPJMESA-N -1 3 382.493 3.139 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC001575189053 952454594 /nfs/dbraw/zinc/45/45/94/952454594.db2.gz MYMPOOPEKFNJIB-CQSZACIVSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC001575189053 952454600 /nfs/dbraw/zinc/45/46/00/952454600.db2.gz MYMPOOPEKFNJIB-CQSZACIVSA-N -1 3 388.431 3.017 20 0 GGADHM C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575189445 952457522 /nfs/dbraw/zinc/45/75/22/952457522.db2.gz OWOXESLBPWTYML-MRXNPFEDSA-N -1 3 386.459 3.468 20 0 GGADHM C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575189445 952457529 /nfs/dbraw/zinc/45/75/29/952457529.db2.gz OWOXESLBPWTYML-MRXNPFEDSA-N -1 3 386.459 3.468 20 0 GGADHM C[C@H](Cc1cccc(F)c1)N(C)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001575189765 952458408 /nfs/dbraw/zinc/45/84/08/952458408.db2.gz QDKNHTDJYBXFEE-SNVBAGLBSA-N -1 3 391.248 3.231 20 0 GGADHM C[C@H](Cc1cccc(F)c1)N(C)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001575189765 952458409 /nfs/dbraw/zinc/45/84/09/952458409.db2.gz QDKNHTDJYBXFEE-SNVBAGLBSA-N -1 3 391.248 3.231 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(Br)c1 ZINC001575190894 952464029 /nfs/dbraw/zinc/46/40/29/952464029.db2.gz UNQIRGDGNCKBRB-NSHDSACASA-N -1 3 387.237 3.413 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(Br)c1 ZINC001575190894 952464035 /nfs/dbraw/zinc/46/40/35/952464035.db2.gz UNQIRGDGNCKBRB-NSHDSACASA-N -1 3 387.237 3.413 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001575190946 952465527 /nfs/dbraw/zinc/46/55/27/952465527.db2.gz VISDCHZRGDNQFO-INIZCTEOSA-N -1 3 398.470 3.424 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001575190946 952465528 /nfs/dbraw/zinc/46/55/28/952465528.db2.gz VISDCHZRGDNQFO-INIZCTEOSA-N -1 3 398.470 3.424 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001575191694 952468800 /nfs/dbraw/zinc/46/88/00/952468800.db2.gz YSKZVXDRXKXIJM-OAHLLOKOSA-N -1 3 391.479 3.069 20 0 GGADHM C[C@@](Cc1ccccc1)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001575191961 952470455 /nfs/dbraw/zinc/47/04/55/952470455.db2.gz ZSWUVKOOZJTFDX-NRFANRHFSA-N -1 3 393.516 3.486 20 0 GGADHM C[C@@](Cc1ccccc1)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001575191961 952470460 /nfs/dbraw/zinc/47/04/60/952470460.db2.gz ZSWUVKOOZJTFDX-NRFANRHFSA-N -1 3 393.516 3.486 20 0 GGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001575200314 952494030 /nfs/dbraw/zinc/49/40/30/952494030.db2.gz IEZXDYJSZCCGCZ-AWEZNQCLSA-N -1 3 384.443 3.136 20 0 GGADHM C[C@@H](Cc1cncc2ccccc21)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001575200314 952494034 /nfs/dbraw/zinc/49/40/34/952494034.db2.gz IEZXDYJSZCCGCZ-AWEZNQCLSA-N -1 3 384.443 3.136 20 0 GGADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001575203364 952520665 /nfs/dbraw/zinc/52/06/65/952520665.db2.gz UXHMJMULAGSGLY-LLVKDONJSA-N -1 3 393.838 3.281 20 0 GGADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001575203364 952520672 /nfs/dbraw/zinc/52/06/72/952520672.db2.gz UXHMJMULAGSGLY-LLVKDONJSA-N -1 3 393.838 3.281 20 0 GGADHM C[C@@H](Cc1cccs1)N(C)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575203559 952524183 /nfs/dbraw/zinc/52/41/83/952524183.db2.gz ZWBSGCKTZGYHRM-SJCJKPOMSA-N -1 3 382.493 3.188 20 0 GGADHM C[C@@H](Cc1cccs1)N(C)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575203559 952524185 /nfs/dbraw/zinc/52/41/85/952524185.db2.gz ZWBSGCKTZGYHRM-SJCJKPOMSA-N -1 3 382.493 3.188 20 0 GGADHM CC(C)(C)OC(=O)Nc1cnc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cn1 ZINC001602911612 971860127 /nfs/dbraw/zinc/86/01/27/971860127.db2.gz VDMQSFZHMZPDQM-DLBZAZTESA-N -1 3 398.463 3.124 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424262065 953442042 /nfs/dbraw/zinc/44/20/42/953442042.db2.gz PYQNPIZXWBOYFK-FUHWJXTLSA-N -1 3 376.497 3.372 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])N(C)C)cc1 ZINC000424398295 953463117 /nfs/dbraw/zinc/46/31/17/953463117.db2.gz NMDVYYUEEHOXMV-NVXWUHKLSA-N -1 3 381.542 3.057 20 0 GGADHM CCC(CC)(CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000424416779 953478468 /nfs/dbraw/zinc/47/84/68/953478468.db2.gz VQJMWAKXCPBWIK-UHFFFAOYSA-N -1 3 383.920 3.304 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000426692144 953493647 /nfs/dbraw/zinc/49/36/47/953493647.db2.gz OYRHFJPRNYXKLS-HNNXBMFYSA-N -1 3 391.258 3.360 20 0 GGADHM CN(CCCC(=O)[O-])CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000430650415 953501309 /nfs/dbraw/zinc/50/13/09/953501309.db2.gz CSHMVYKFIOIFQS-LJQANCHMSA-N -1 3 393.487 3.213 20 0 GGADHM O=C([O-])CCc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000473958346 953525481 /nfs/dbraw/zinc/52/54/81/953525481.db2.gz GSTISJSKKZNRPM-UHFFFAOYSA-N -1 3 395.503 3.245 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000560922506 953589227 /nfs/dbraw/zinc/58/92/27/953589227.db2.gz LVYCQBHTVFCIEC-ICSRJNTNSA-N -1 3 387.524 3.356 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)N(C)C)cc1 ZINC000563379963 953598786 /nfs/dbraw/zinc/59/87/86/953598786.db2.gz MNPXUHBGWPSYEN-UYAOXDASSA-N -1 3 389.540 3.384 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)N(C)C)cc1 ZINC000563379961 953598872 /nfs/dbraw/zinc/59/88/72/953598872.db2.gz MNPXUHBGWPSYEN-ICSRJNTNSA-N -1 3 389.540 3.384 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000567578414 953633476 /nfs/dbraw/zinc/63/34/76/953633476.db2.gz GWGUFLOCUOBZBF-UHFFFAOYSA-N -1 3 378.513 3.076 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000569971027 953651727 /nfs/dbraw/zinc/65/17/27/953651727.db2.gz BSSXARQKIZDEOQ-DZGCQCFKSA-N -1 3 398.425 3.382 20 0 GGADHM O=C([O-])[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000574810536 953680921 /nfs/dbraw/zinc/68/09/21/953680921.db2.gz JUDLSKCQXTYYGR-IPMKNSEASA-N -1 3 384.863 3.246 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC000577750683 953695455 /nfs/dbraw/zinc/69/54/55/953695455.db2.gz RGFRFODYWISCNV-FQELHTAISA-N -1 3 398.528 3.265 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC000577750682 953696360 /nfs/dbraw/zinc/69/63/60/953696360.db2.gz RGFRFODYWISCNV-FPDPHYFHSA-N -1 3 398.528 3.265 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(CNC3(C(=O)[O-])CCCCCC3)co2)cc1 ZINC000578635086 953702980 /nfs/dbraw/zinc/70/29/80/953702980.db2.gz VPOFLJMENYFBIK-UHFFFAOYSA-N -1 3 392.477 3.012 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589303753 953716920 /nfs/dbraw/zinc/71/69/20/953716920.db2.gz CIHWQTMAHPHOEO-PIPMEXSNSA-N -1 3 392.499 3.346 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589303754 953717858 /nfs/dbraw/zinc/71/78/58/953717858.db2.gz CIHWQTMAHPHOEO-ZNLUXHQJSA-N -1 3 392.499 3.346 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000582306350 953723793 /nfs/dbraw/zinc/72/37/93/953723793.db2.gz MLBSXFSQDCKDNC-PGRDOPGGSA-N -1 3 393.443 3.249 20 0 GGADHM O=C([O-])[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC001594803984 953766299 /nfs/dbraw/zinc/76/62/99/953766299.db2.gz IHSNVRVFUKLMBJ-IBGZPJMESA-N -1 3 399.516 3.225 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c2ccccc2)CC1 ZINC000626748903 953803263 /nfs/dbraw/zinc/80/32/63/953803263.db2.gz XQSNESCHYMLTQW-MISYRCLQSA-N -1 3 387.524 3.212 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000629496475 953826876 /nfs/dbraw/zinc/82/68/76/953826876.db2.gz UMHODSWQFUGHTJ-DBVUQKKJSA-N -1 3 388.508 3.182 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000629496476 953826917 /nfs/dbraw/zinc/82/69/17/953826917.db2.gz UMHODSWQFUGHTJ-UXPWSPDFSA-N -1 3 388.508 3.182 20 0 GGADHM C[C@@H]1CN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1C(=O)[O-] ZINC000629770852 953831951 /nfs/dbraw/zinc/83/19/51/953831951.db2.gz CRJFGSONFZCRGO-CXAGYDPISA-N -1 3 381.398 3.493 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(=O)[O-] ZINC000644176400 953914296 /nfs/dbraw/zinc/91/42/96/953914296.db2.gz MSOXGEUFLYWKID-MOPGFXCFSA-N -1 3 375.513 3.260 20 0 GGADHM CCC(CC)(CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(=O)[O-] ZINC000644176383 953914737 /nfs/dbraw/zinc/91/47/37/953914737.db2.gz IXKTUBKOBNNKTM-SFHVURJKSA-N -1 3 375.513 3.404 20 0 GGADHM CC1CCN([C@@H](CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c2cccs2)CC1 ZINC000650290253 954010467 /nfs/dbraw/zinc/01/04/67/954010467.db2.gz JTODEVIULJSBAF-JXFKEZNVSA-N -1 3 376.522 3.448 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602974075 971981782 /nfs/dbraw/zinc/98/17/82/971981782.db2.gz DQIYAEUXTOQYCX-HXUWFJFHSA-N -1 3 384.476 3.036 20 0 GGADHM O=C([O-])[C@@H]1CN(C[C@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470961 954090088 /nfs/dbraw/zinc/09/00/88/954090088.db2.gz OOPJCPUJLMNYNF-GOEBONIOSA-N -1 3 395.377 3.129 20 0 GGADHM C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513558 954091987 /nfs/dbraw/zinc/09/19/87/954091987.db2.gz CUSVMDCIANSZKE-XFBWCDHKSA-N -1 3 375.856 3.417 20 0 GGADHM C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513557 954092538 /nfs/dbraw/zinc/09/25/38/954092538.db2.gz CUSVMDCIANSZKE-KNXALSJPSA-N -1 3 375.856 3.417 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC001593699445 954099378 /nfs/dbraw/zinc/09/93/78/954099378.db2.gz HSJDHXJEDJCIMO-UHFFFAOYSA-N -1 3 383.473 3.052 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001593700323 954105530 /nfs/dbraw/zinc/10/55/30/954105530.db2.gz HVVLKSQMXMYADU-UHFFFAOYSA-N -1 3 383.807 3.366 20 0 GGADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593700263 954105981 /nfs/dbraw/zinc/10/59/81/954105981.db2.gz BFTMGNPWCXBUPK-LSDHHAIUSA-N -1 3 386.414 3.097 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593700325 954106232 /nfs/dbraw/zinc/10/62/32/954106232.db2.gz IGAWZBJDNCMOJV-UHFFFAOYSA-N -1 3 383.492 3.342 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593700426 954110064 /nfs/dbraw/zinc/11/00/64/954110064.db2.gz QWZZOFYOSFCQNT-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(I)s1)c1ccc(F)cc1 ZINC001594844884 954130375 /nfs/dbraw/zinc/13/03/75/954130375.db2.gz YFZJCZINMUJGRI-LBPRGKRZSA-N -1 3 391.205 3.407 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000655864917 954249589 /nfs/dbraw/zinc/24/95/89/954249589.db2.gz HRWDHIYGIPPSJE-IUODEOHRSA-N -1 3 389.418 3.108 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879345 954264347 /nfs/dbraw/zinc/26/43/47/954264347.db2.gz PRGVFOIFQFIXRL-BSWVEEBUSA-N -1 3 387.524 3.084 20 0 GGADHM C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879347 954264499 /nfs/dbraw/zinc/26/44/99/954264499.db2.gz PRGVFOIFQFIXRL-JAQSECSASA-N -1 3 387.524 3.084 20 0 GGADHM C[C@@H](CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000655884889 954267013 /nfs/dbraw/zinc/26/70/13/954267013.db2.gz LKEQAIGITUPYSB-SFHVURJKSA-N -1 3 383.492 3.051 20 0 GGADHM C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902123 954283032 /nfs/dbraw/zinc/28/30/32/954283032.db2.gz IUJUKXPCGQUCAH-SJWGOKEGSA-N -1 3 395.931 3.377 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)N(C)C)cc1 ZINC000659405129 954329920 /nfs/dbraw/zinc/32/99/20/954329920.db2.gz UGUZOWAXCLQOOP-GOSISDBHSA-N -1 3 393.553 3.298 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)CC(=O)[O-] ZINC000659417628 954341231 /nfs/dbraw/zinc/34/12/31/954341231.db2.gz NIOAERLQGSKXDL-IBGZPJMESA-N -1 3 389.540 3.429 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659753073 954354480 /nfs/dbraw/zinc/35/44/80/954354480.db2.gz KXJVDNOXCXFTEQ-UHFFFAOYSA-N -1 3 390.867 3.007 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2ccn(CCc3ccccc3)n2)C[C@H]1c1ccccc1 ZINC000659797147 954377472 /nfs/dbraw/zinc/37/74/72/954377472.db2.gz QSRKGFKWNMIXQD-FCHUYYIVSA-N -1 3 375.472 3.426 20 0 GGADHM O=C([O-])CCC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000662218281 954387625 /nfs/dbraw/zinc/38/76/25/954387625.db2.gz WKZLODXANUTZMG-GOSISDBHSA-N -1 3 380.435 3.033 20 0 GGADHM CN(CCN(Cc1c(C(=O)[O-])cnn1C)Cc1ccccc1)Cc1ccccc1 ZINC001593751854 954424120 /nfs/dbraw/zinc/42/41/20/954424120.db2.gz PMLCKJNVMOTLRH-UHFFFAOYSA-N -1 3 392.503 3.253 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3cccc(C(=O)[O-])c3)C2)O1 ZINC001589400859 954425819 /nfs/dbraw/zinc/42/58/19/954425819.db2.gz IQNJXGAIHSSFRM-WZONZLPQSA-N -1 3 380.488 3.250 20 0 GGADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCCCCC(=O)[O-])CC1 ZINC000663356592 954541900 /nfs/dbraw/zinc/54/19/00/954541900.db2.gz SCAKMDMWPHZJAL-UHFFFAOYSA-N -1 3 383.876 3.189 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666542564 954554506 /nfs/dbraw/zinc/55/45/06/954554506.db2.gz BENLJLYQYORUHQ-HXUWFJFHSA-N -1 3 383.492 3.341 20 0 GGADHM CN(C)C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000666563524 954559939 /nfs/dbraw/zinc/55/99/39/954559939.db2.gz HBJCOWNATKFSQK-QGZVFWFLSA-N -1 3 375.856 3.140 20 0 GGADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666565875 954562437 /nfs/dbraw/zinc/56/24/37/954562437.db2.gz DDHDGLRDASKMEV-UHFFFAOYSA-N -1 3 389.883 3.312 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000676234072 954585423 /nfs/dbraw/zinc/58/54/23/954585423.db2.gz VLABMEYQAZBWMO-PXNSSMCTSA-N -1 3 388.508 3.326 20 0 GGADHM CN1CCN(CCCOc2ccc(NCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001593784898 954688138 /nfs/dbraw/zinc/68/81/38/954688138.db2.gz QRCJFFMQWIWQSW-UHFFFAOYSA-N -1 3 383.492 3.013 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H](CO)c3ccc(Cl)cc3)o2)C1 ZINC001594913570 954719201 /nfs/dbraw/zinc/71/92/01/954719201.db2.gz ARLYZXSJOUQHNS-CVEARBPZSA-N -1 3 392.883 3.100 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[C@@](O)(c4ccccc4)C3)o2)C1 ZINC001594915694 954748463 /nfs/dbraw/zinc/74/84/63/954748463.db2.gz KNKGGSVQGWCXFT-JTSKRJEESA-N -1 3 384.476 3.064 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCSCCC(F)(F)F)o2)C1 ZINC001594917653 954774913 /nfs/dbraw/zinc/77/49/13/954774913.db2.gz VXCBVCFTHBTJBX-GFCCVEGCSA-N -1 3 380.432 3.356 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN(CCO)[C@H]3CCCc4ccccc43)o2)C1 ZINC001594917850 954775850 /nfs/dbraw/zinc/77/58/50/954775850.db2.gz QKBATGHETYZNEH-NQIIRXRSSA-N -1 3 398.503 3.453 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC3CC(OCc4ccccc4)C3)o2)C1 ZINC001594917831 954776622 /nfs/dbraw/zinc/77/66/22/954776622.db2.gz QGESXMPGCZIJBW-ZJRDLVKKSA-N -1 3 384.476 3.418 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594918515 954781773 /nfs/dbraw/zinc/78/17/73/954781773.db2.gz UECQHNDVVGDRPK-CABCVRRESA-N -1 3 375.494 3.102 20 0 GGADHM CCC(C)(C)N1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001589449009 954788280 /nfs/dbraw/zinc/78/82/80/954788280.db2.gz KZWBEGXVRPHNBY-UHFFFAOYSA-N -1 3 398.301 3.485 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCCOc3ccc(F)cc3)o2)C1 ZINC001594919092 954791401 /nfs/dbraw/zinc/79/14/01/954791401.db2.gz ZOTFUIDSXIXGFH-OAHLLOKOSA-N -1 3 376.428 3.278 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@](O)(c4ccccc4)C3)o2)CC1 ZINC001594939495 954869917 /nfs/dbraw/zinc/86/99/17/954869917.db2.gz WVUSXTBYWMESLT-JOCHJYFZSA-N -1 3 384.476 3.064 20 0 GGADHM CC(C)[C@H]1N(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002833 972049881 /nfs/dbraw/zinc/04/98/81/972049881.db2.gz NATWMONZLFOHPC-VQIMIIECSA-N -1 3 376.497 3.218 20 0 GGADHM COC(=O)[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)CC1CCCC1 ZINC001593810237 954928043 /nfs/dbraw/zinc/92/80/43/954928043.db2.gz FZYKGICLOKCJNH-DLBZAZTESA-N -1 3 392.496 3.040 20 0 GGADHM COC(=O)[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)CC1CCCC1 ZINC001593810241 954928356 /nfs/dbraw/zinc/92/83/56/954928356.db2.gz FZYKGICLOKCJNH-IRXDYDNUSA-N -1 3 392.496 3.040 20 0 GGADHM O=C([O-])[C@@H]1CN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001594953170 954965264 /nfs/dbraw/zinc/96/52/64/954965264.db2.gz CFKLAFXUDRSHOL-CRAIPNDOSA-N -1 3 396.270 3.417 20 0 GGADHM CC(C)C[C@H](CNCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C(=O)[O-] ZINC001603015874 972070253 /nfs/dbraw/zinc/07/02/53/972070253.db2.gz KNGRIWFXAHCZTF-CYBMUJFWSA-N -1 3 383.489 3.271 20 0 GGADHM COc1cccc([C@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N2CCCC2)c1 ZINC000738118297 955233611 /nfs/dbraw/zinc/23/36/11/955233611.db2.gz VWVSYJXMSRJOIS-FQEVSTJZSA-N -1 3 397.475 3.281 20 0 GGADHM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535921 955573036 /nfs/dbraw/zinc/57/30/36/955573036.db2.gz KPGWSHZAELKDLT-KGLIPLIRSA-N -1 3 382.291 3.460 20 0 GGADHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535861 955573417 /nfs/dbraw/zinc/57/34/17/955573417.db2.gz KPGWSHZAELKDLT-KBPBESRZSA-N -1 3 382.291 3.460 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589066282 955748286 /nfs/dbraw/zinc/74/82/86/955748286.db2.gz BYPHKOKTLMSSKG-CABCVRRESA-N -1 3 376.428 3.277 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1ccc(F)cc1 ZINC001589066719 955752929 /nfs/dbraw/zinc/75/29/29/955752929.db2.gz NQPWZVAQPASVRT-LSDHHAIUSA-N -1 3 376.428 3.277 20 0 GGADHM C[C@H](COc1ccccc1F)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589076349 955817064 /nfs/dbraw/zinc/81/70/64/955817064.db2.gz LWKQMBYWBANPLF-HUUCEWRRSA-N -1 3 376.428 3.277 20 0 GGADHM Cc1c(Br)cccc1CN1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000873645757 956090529 /nfs/dbraw/zinc/09/05/29/956090529.db2.gz QGEVJOVFCXVSGB-GJZGRUSLSA-N -1 3 392.297 3.181 20 0 GGADHM COc1ccc([C@@H](CNC(=O)NCc2ccccc2C(=O)[O-])N2CCCC2)cc1 ZINC000874382019 956121350 /nfs/dbraw/zinc/12/13/50/956121350.db2.gz HPPLQDDXXZCULN-HXUWFJFHSA-N -1 3 397.475 3.030 20 0 GGADHM C[C@@](O)(CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1Cl ZINC001589146550 956293874 /nfs/dbraw/zinc/29/38/74/956293874.db2.gz FSLXKEVKWWCGFX-VBKZILBWSA-N -1 3 392.883 3.231 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001603114627 972190348 /nfs/dbraw/zinc/19/03/48/972190348.db2.gz KMGXZQFASGWUMB-OAHLLOKOSA-N -1 3 381.480 3.429 20 0 GGADHM CC1CCN([C@@H](CNC(=O)C2(C(=O)[O-])CCSCC2)c2ccccc2)CC1 ZINC000901918237 956539014 /nfs/dbraw/zinc/53/90/14/956539014.db2.gz WYLDIMJOSUPMPQ-SFHVURJKSA-N -1 3 390.549 3.174 20 0 GGADHM COc1ccc([C@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)N2CCCCC2)cc1 ZINC000901955856 956565724 /nfs/dbraw/zinc/56/57/24/956565724.db2.gz MUQFIMUEAQBYAV-XASXRRJKSA-N -1 3 398.459 3.343 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](NCc2ncc(C(=O)[O-])s2)CC12CCC2 ZINC000388867775 972195717 /nfs/dbraw/zinc/19/57/17/972195717.db2.gz BFNUPDRHGAMLRD-LBPRGKRZSA-N -1 3 381.498 3.253 20 0 GGADHM CC1(C(=O)[O-])CCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC001589192644 956600827 /nfs/dbraw/zinc/60/08/27/956600827.db2.gz MFXPVIROFZJOTH-UHFFFAOYSA-N -1 3 395.503 3.262 20 0 GGADHM O=C([O-])c1cncc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000902033575 956623273 /nfs/dbraw/zinc/62/32/73/956623273.db2.gz GAAZGTNOTXIBTA-GOSISDBHSA-N -1 3 393.365 3.173 20 0 GGADHM O=C([O-])c1cncc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000902033580 956623631 /nfs/dbraw/zinc/62/36/31/956623631.db2.gz GAAZGTNOTXIBTA-SFHVURJKSA-N -1 3 393.365 3.173 20 0 GGADHM C[C@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc(C(=O)[O-])s2)C1=O ZINC000903689510 956868758 /nfs/dbraw/zinc/86/87/58/956868758.db2.gz IXTRSHYUKQAWSE-WBMJQRKESA-N -1 3 376.453 3.427 20 0 GGADHM COC(=O)C1CC2(C1)CN(Cc1ccc(Oc3ccccc3)o1)C[C@@H]2C(=O)[O-] ZINC000903695230 956879322 /nfs/dbraw/zinc/87/93/22/956879322.db2.gz SMOKHJNGSHUCLN-CXJKMVGQSA-N -1 3 385.416 3.158 20 0 GGADHM CC(C)(C)CCN1CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC1 ZINC000904191966 956917185 /nfs/dbraw/zinc/91/71/85/956917185.db2.gz UXIFLOYJOPDOKC-UHFFFAOYSA-N -1 3 377.529 3.134 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC[C@H](O)c3ccc(Cl)cc3)o2)CC1 ZINC000904206674 956923186 /nfs/dbraw/zinc/92/31/86/956923186.db2.gz JWCZYEYVZVLFOL-KRWDZBQOSA-N -1 3 378.856 3.057 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC3CC(OCc4ccccc4)C3)o2)CC1 ZINC000904231045 956926923 /nfs/dbraw/zinc/92/69/23/956926923.db2.gz DZNPKZSTXAJESY-UHFFFAOYSA-N -1 3 384.476 3.418 20 0 GGADHM C[C@]1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)OCCc2sccc21 ZINC001589246841 956935253 /nfs/dbraw/zinc/93/52/53/956935253.db2.gz LLAUAUZHNVRACR-VBKZILBWSA-N -1 3 390.505 3.220 20 0 GGADHM C[C@]1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)OCCc2sccc21 ZINC001589246839 956935283 /nfs/dbraw/zinc/93/52/83/956935283.db2.gz LLAUAUZHNVRACR-JLTOFOAXSA-N -1 3 390.505 3.220 20 0 GGADHM COc1ccc(C2CCN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CC2)nc1 ZINC000904249415 956939922 /nfs/dbraw/zinc/93/99/22/956939922.db2.gz PIZQIBGHTUVWMU-UHFFFAOYSA-N -1 3 399.491 3.364 20 0 GGADHM C[C@@]1(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)OCCc2ccccc21 ZINC001589247232 956940827 /nfs/dbraw/zinc/94/08/27/956940827.db2.gz RQXUTAFIYBOGSZ-QFIPXVFZSA-N -1 3 384.476 3.158 20 0 GGADHM COc1cccc([C@@H](CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)OC)c1 ZINC000904253516 956942413 /nfs/dbraw/zinc/94/24/13/956942413.db2.gz QJSRXMYGIQUOCC-LJQANCHMSA-N -1 3 388.464 3.067 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC[C@@H]3C[C@H](c4ccccc4)CO3)o2)CC1 ZINC000904251527 956942904 /nfs/dbraw/zinc/94/29/04/956942904.db2.gz LPGTXZSPKWMHSG-ICSRJNTNSA-N -1 3 384.476 3.243 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@H](Cc4nccs4)C3)o2)CC1 ZINC000904257975 956946630 /nfs/dbraw/zinc/94/66/30/956946630.db2.gz HKCNDSNISWHNBL-OAHLLOKOSA-N -1 3 389.521 3.492 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC001594732079 957047938 /nfs/dbraw/zinc/04/79/38/957047938.db2.gz CNSWLHZOMCBNEH-KRWDZBQOSA-N -1 3 390.480 3.287 20 0 GGADHM C[C@H]1[C@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001589262886 957053973 /nfs/dbraw/zinc/05/39/73/957053973.db2.gz ARTRQLQJWWRWRQ-OXJNMPFZSA-N -1 3 381.476 3.488 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000911669935 957087267 /nfs/dbraw/zinc/08/72/67/957087267.db2.gz QWDPOWJWJSXREH-UHFFFAOYSA-N -1 3 384.398 3.228 20 0 GGADHM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911774994 957092678 /nfs/dbraw/zinc/09/26/78/957092678.db2.gz UQLOSGVKWWKRFA-PWRODBHTSA-N -1 3 398.478 3.267 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000923472159 957122121 /nfs/dbraw/zinc/12/21/21/957122121.db2.gz UGOPTKBLBZFCNS-QFIPXVFZSA-N -1 3 388.508 3.201 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2)cs1 ZINC000923528113 957126691 /nfs/dbraw/zinc/12/66/91/957126691.db2.gz AOLQYIQTNNDUIM-DLBZAZTESA-N -1 3 385.489 3.100 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)N2CCCC2)cc1 ZINC001121809980 957207432 /nfs/dbraw/zinc/20/74/32/957207432.db2.gz BQZIVOAWZOLEPI-QUCCMNQESA-N -1 3 387.524 3.418 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001121898325 957226360 /nfs/dbraw/zinc/22/63/60/957226360.db2.gz WZBFSROZYXBERU-OZOXKJRCSA-N -1 3 393.487 3.043 20 0 GGADHM Cc1cc(Br)cc(CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001594271714 957681445 /nfs/dbraw/zinc/68/14/45/957681445.db2.gz MNHPOPPTAWGXDU-HUUCEWRRSA-N -1 3 392.297 3.181 20 0 GGADHM Cc1cc(Br)cn2c(CN[C@](C)(C(=O)[O-])c3ccccc3)cnc12 ZINC001594273449 957689003 /nfs/dbraw/zinc/68/90/03/957689003.db2.gz LRFCPQPBXXXECM-SFHVURJKSA-N -1 3 388.265 3.495 20 0 GGADHM O=C([O-])c1c2c(sc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F)COCC2 ZINC001574788430 957795587 /nfs/dbraw/zinc/79/55/87/957795587.db2.gz RRKHQUSFNFQOQR-WCBMZHEXSA-N -1 3 393.383 3.205 20 0 GGADHM O=C([O-])c1c2c(sc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F)COCC2 ZINC001574788431 957795649 /nfs/dbraw/zinc/79/56/49/957795649.db2.gz RRKHQUSFNFQOQR-WPRPVWTQSA-N -1 3 393.383 3.205 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)N(C)Cc1ccccc1 ZINC000390539292 972292904 /nfs/dbraw/zinc/29/29/04/972292904.db2.gz KUXYBUYETBIICU-GFCCVEGCSA-N -1 3 377.391 3.305 20 0 GGADHM C[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1ccccc1F ZINC001603192067 972293379 /nfs/dbraw/zinc/29/33/79/972293379.db2.gz FBZSMDZOCYBPDK-CABCVRRESA-N -1 3 376.428 3.277 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)N1CCc2ccccc2C1 ZINC001603193220 972297081 /nfs/dbraw/zinc/29/70/81/972297081.db2.gz VMYGXZUOZLTJTJ-PXNSSMCTSA-N -1 3 397.519 3.117 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)N1CCc2ccccc2C1 ZINC001603193218 972297285 /nfs/dbraw/zinc/29/72/85/972297285.db2.gz VMYGXZUOZLTJTJ-FXAWDEMLSA-N -1 3 397.519 3.117 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC001339925554 957901577 /nfs/dbraw/zinc/90/15/77/957901577.db2.gz JJLSFJCYFWWKHI-NMSZZDKCSA-N -1 3 393.487 3.262 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccc21 ZINC001339945304 957910152 /nfs/dbraw/zinc/91/01/52/957910152.db2.gz JJVUXTYATMENPO-NHCUHLMSSA-N -1 3 393.487 3.217 20 0 GGADHM Cc1cc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ncc1Br ZINC001594303269 957932805 /nfs/dbraw/zinc/93/28/05/957932805.db2.gz PQWAJPIWMDYNBV-JKSUJKDBSA-N -1 3 375.266 3.453 20 0 GGADHM CN(C)C[C@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC001340585656 957941865 /nfs/dbraw/zinc/94/18/65/957941865.db2.gz QAMMLDIRYFIFRI-QRVBRYPASA-N -1 3 385.439 3.041 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)Cc2ccccc21 ZINC001341224375 957949181 /nfs/dbraw/zinc/94/91/81/957949181.db2.gz FQFZZVNCXMGOBZ-NHCUHLMSSA-N -1 3 393.487 3.217 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc(Br)c1O ZINC001594058362 958062521 /nfs/dbraw/zinc/06/25/21/958062521.db2.gz QJVBOYZDKUDZOA-CQSZACIVSA-N -1 3 384.201 3.218 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001353015877 958136419 /nfs/dbraw/zinc/13/64/19/958136419.db2.gz RBJMWYKCAJVMHI-TYCQWZJGSA-N -1 3 393.487 3.043 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)c2ccccc21 ZINC001353156666 958152655 /nfs/dbraw/zinc/15/26/55/958152655.db2.gz TVHNTRVMVLZIPT-WOJBJXKFSA-N -1 3 385.508 3.207 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001353271938 958156117 /nfs/dbraw/zinc/15/61/17/958156117.db2.gz CZYSGPYVQSGGRD-JOCHJYFZSA-N -1 3 387.524 3.110 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001353271939 958156704 /nfs/dbraw/zinc/15/67/04/958156704.db2.gz CZYSGPYVQSGGRD-QFIPXVFZSA-N -1 3 387.524 3.110 20 0 GGADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001521241105 958235669 /nfs/dbraw/zinc/23/56/69/958235669.db2.gz PHDZOSUPMRDAHV-PMACEKPBSA-N -1 3 399.466 3.212 20 0 GGADHM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1coc(-c3cc(Cl)cc(Cl)c3)n1)C2 ZINC001549712632 958286350 /nfs/dbraw/zinc/28/63/50/958286350.db2.gz ZIVCOZHJLZFFDD-GTNSWQLSSA-N -1 3 383.231 3.181 20 0 GGADHM Cc1ccc([C@@H](NC(=O)CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001594350510 958348430 /nfs/dbraw/zinc/34/84/30/958348430.db2.gz DIMWJPDNZNRLGJ-QZNHQXDQSA-N -1 3 392.499 3.363 20 0 GGADHM Cc1ccc(CN2CC[C@H](NC(=O)Nc3cccc(CCC(=O)[O-])c3)C2)cc1 ZINC001594359939 958437579 /nfs/dbraw/zinc/43/75/79/958437579.db2.gz BJXDICSAZODQIR-FQEVSTJZSA-N -1 3 381.476 3.408 20 0 GGADHM Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cccc(CCC(=O)[O-])c3)C2)cc1 ZINC001594359940 958437714 /nfs/dbraw/zinc/43/77/14/958437714.db2.gz BJXDICSAZODQIR-HXUWFJFHSA-N -1 3 381.476 3.408 20 0 GGADHM COc1ccc(NC(=O)[C@@H](N[C@H](C)CC(=O)[O-])c2ccccc2)cc1Cl ZINC001594101641 958441524 /nfs/dbraw/zinc/44/15/24/958441524.db2.gz NWVBWSIOGNVYHR-XIKOKIGWSA-N -1 3 376.840 3.481 20 0 GGADHM COc1ccc(O[C@@H](C)CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594107306 958479553 /nfs/dbraw/zinc/47/95/53/958479553.db2.gz HVLBWWGMJAEDSA-JKSUJKDBSA-N -1 3 388.464 3.146 20 0 GGADHM Cc1ccc(OC(F)F)c(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC001594374834 958578818 /nfs/dbraw/zinc/57/88/18/958578818.db2.gz RYSHJVRVTRANFC-DZGCQCFKSA-N -1 3 379.407 3.020 20 0 GGADHM COc1cccc(-c2csc(CN(CCC(=O)[O-])C3CCOCC3)n2)c1 ZINC001594120195 958595774 /nfs/dbraw/zinc/59/57/74/958595774.db2.gz ZTHFWSIQLQMHBI-UHFFFAOYSA-N -1 3 376.478 3.274 20 0 GGADHM C/C(=C/c1ccccc1C(F)(F)F)CN[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588487940 958629731 /nfs/dbraw/zinc/62/97/31/958629731.db2.gz MTKHLCAILIQPHF-DDKJEQMHSA-N -1 3 384.398 3.164 20 0 GGADHM C[C@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)C1CC1 ZINC001573375329 958651924 /nfs/dbraw/zinc/65/19/24/958651924.db2.gz OSPJOROPVLIQAP-GFCCVEGCSA-N -1 3 395.887 3.282 20 0 GGADHM Cc1cccc([C@H](NCCN2c3cccc4cccc(c34)S2(=O)=O)C(=O)[O-])c1 ZINC001594397268 958779177 /nfs/dbraw/zinc/77/91/77/958779177.db2.gz GXLRYFXPHGQIBW-FQEVSTJZSA-N -1 3 396.468 3.072 20 0 GGADHM CC(C)[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)C(=O)OC(C)(C)C ZINC001573499860 959053484 /nfs/dbraw/zinc/05/34/84/959053484.db2.gz NQYXBNQDDAPRPK-KRWDZBQOSA-N -1 3 394.512 3.284 20 0 GGADHM CC(C)C[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509495 959082845 /nfs/dbraw/zinc/08/28/45/959082845.db2.gz JDHUIKIHWKPFJO-SJORKVTESA-N -1 3 382.451 3.007 20 0 GGADHM CC(C)C[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509492 959083814 /nfs/dbraw/zinc/08/38/14/959083814.db2.gz JDHUIKIHWKPFJO-IAGOWNOFSA-N -1 3 382.451 3.007 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N(C)CCCC(=O)[O-] ZINC001588560300 959092751 /nfs/dbraw/zinc/09/27/51/959092751.db2.gz IPTWVOZQEABSKH-HNNXBMFYSA-N -1 3 387.505 3.498 20 0 GGADHM CSc1ccc([C@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)N(C)C)cc1 ZINC001594195223 959192022 /nfs/dbraw/zinc/19/20/22/959192022.db2.gz SFSWUKHZJWUAPE-HNNXBMFYSA-N -1 3 378.538 3.264 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573554958 959252617 /nfs/dbraw/zinc/25/26/17/959252617.db2.gz PTHGXYXHKSBJCD-SIKDUDHDSA-N -1 3 386.448 3.197 20 0 GGADHM C[C@@H]1CCN(CCOc2ccccc2C(=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001594216446 959335216 /nfs/dbraw/zinc/33/52/16/959335216.db2.gz WNFKEWLRDLXJOO-CVEARBPZSA-N -1 3 392.496 3.389 20 0 GGADHM C[C@H](COc1c(F)cccc1F)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594233277 959489400 /nfs/dbraw/zinc/48/94/00/959489400.db2.gz VUYAWYQHOZYTDZ-KGLIPLIRSA-N -1 3 394.418 3.416 20 0 GGADHM Cc1c([O-])ccc2c(C[N@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc(=O)oc12 ZINC001594268522 959772802 /nfs/dbraw/zinc/77/28/02/959772802.db2.gz CAVOMZGHDPCFPJ-ZWKOTPCHSA-N -1 3 379.412 3.107 20 0 GGADHM Cc1c([O-])ccc2c(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc(=O)oc12 ZINC001594268522 959772818 /nfs/dbraw/zinc/77/28/18/959772818.db2.gz CAVOMZGHDPCFPJ-ZWKOTPCHSA-N -1 3 379.412 3.107 20 0 GGADHM COc1cccc(-c2nnc(CN3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)o2)c1 ZINC001574227059 960404004 /nfs/dbraw/zinc/40/40/04/960404004.db2.gz LXNUDJHVCKTDET-ZWKOTPCHSA-N -1 3 379.416 3.045 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588666557 960454865 /nfs/dbraw/zinc/45/48/65/960454865.db2.gz DWBLMUUMZVCLAD-HZPDHXFCSA-N -1 3 392.496 3.134 20 0 GGADHM C[C@@H](COc1c(F)cccc1F)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001574260016 960565084 /nfs/dbraw/zinc/56/50/84/960565084.db2.gz VUYAWYQHOZYTDZ-UONOGXRCSA-N -1 3 394.418 3.416 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1CN(CCC2(C(=O)[O-])CCC2)CC[C@H]1C(F)(F)F ZINC001588707389 960868012 /nfs/dbraw/zinc/86/80/12/960868012.db2.gz CYALAWREDGTONB-OLZOCXBDSA-N -1 3 394.434 3.409 20 0 GGADHM C/C(=C\C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC001263629940 960876135 /nfs/dbraw/zinc/87/61/35/960876135.db2.gz VCSXSSRFPLKEAY-WMJZSHNHSA-N -1 3 384.501 3.387 20 0 GGADHM C/C(=C/C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccs1 ZINC001263629941 960877013 /nfs/dbraw/zinc/87/70/13/960877013.db2.gz VCSXSSRFPLKEAY-XHVGKJTDSA-N -1 3 384.501 3.387 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Cc2ccc(Cl)s2)CCCN(Cc2ccccc2)C1 ZINC001263630058 960879664 /nfs/dbraw/zinc/87/96/64/960879664.db2.gz YYLKAHZXAOVMSN-IBGZPJMESA-N -1 3 392.908 3.180 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001263633172 960893359 /nfs/dbraw/zinc/89/33/59/960893359.db2.gz JJEZSJQPLHLOAF-IZZBFERCSA-N -1 3 396.462 3.021 20 0 GGADHM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001574334246 960906304 /nfs/dbraw/zinc/90/63/04/960906304.db2.gz XYDCFFNRRGRPEK-JTSKRJEESA-N -1 3 396.491 3.078 20 0 GGADHM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001574334247 960906696 /nfs/dbraw/zinc/90/66/96/960906696.db2.gz XYDCFFNRRGRPEK-VGOFRKELSA-N -1 3 396.491 3.078 20 0 GGADHM Cc1cc(NC(=O)CCCCC(=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001574337786 960911013 /nfs/dbraw/zinc/91/10/13/960911013.db2.gz IYSSLRPOMJTOAI-GOSISDBHSA-N -1 3 384.480 3.222 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001573849594 961130569 /nfs/dbraw/zinc/13/05/69/961130569.db2.gz VYZZDUNVENYYPP-KRWDZBQOSA-N -1 3 375.856 3.246 20 0 GGADHM CCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C[C@H](O)c1ccc(C)cc1 ZINC001573881787 961284400 /nfs/dbraw/zinc/28/44/00/961284400.db2.gz YHNBNZHLRXJBRN-ICSRJNTNSA-N -1 3 386.492 3.445 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588815361 961568534 /nfs/dbraw/zinc/56/85/34/961568534.db2.gz NPTUMHQRDVMXME-FQEVSTJZSA-N -1 3 384.476 3.036 20 0 GGADHM Cn1nccc1[C@@H](NCCSc1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001574473385 961624581 /nfs/dbraw/zinc/62/45/81/961624581.db2.gz XSDRAOVYDGAZDP-MRXNPFEDSA-N -1 3 376.869 3.129 20 0 GGADHM Cn1nccc1[C@H](NCCSc1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001574473379 961624875 /nfs/dbraw/zinc/62/48/75/961624875.db2.gz XSDRAOVYDGAZDP-INIZCTEOSA-N -1 3 376.869 3.129 20 0 GGADHM O=C([O-])[C@@H](CC1CCOCC1)NCc1csc(COc2ccccc2)n1 ZINC001333136094 961651609 /nfs/dbraw/zinc/65/16/09/961651609.db2.gz DFWGVGXEWMTQCN-QGZVFWFLSA-N -1 3 376.478 3.082 20 0 GGADHM CC(C)[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001588830519 961708908 /nfs/dbraw/zinc/70/89/08/961708908.db2.gz GEHSIYLFLYZVQH-RDJZCZTQSA-N -1 3 394.512 3.284 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573990558 961823499 /nfs/dbraw/zinc/82/34/99/961823499.db2.gz MMUIHKOMQBCIPA-UHFFFAOYSA-N -1 3 394.834 3.168 20 0 GGADHM CN(C)Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c2c1OC(F)(F)O2 ZINC001573990916 961824507 /nfs/dbraw/zinc/82/45/07/961824507.db2.gz SUMUYFRUMHENOK-OAHLLOKOSA-N -1 3 396.365 3.124 20 0 GGADHM C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000262747425 961845967 /nfs/dbraw/zinc/84/59/67/961845967.db2.gz ARADOKXROIWNOY-NQIIRXRSSA-N -1 3 386.536 3.433 20 0 GGADHM COc1ccc(CNC(=O)c2cccc(CN3CCCCC3)c2)cc1C(=O)[O-] ZINC001334946505 961858067 /nfs/dbraw/zinc/85/80/67/961858067.db2.gz AJAWZLFNORWJGX-UHFFFAOYSA-N -1 3 382.460 3.309 20 0 GGADHM CCCN1CCCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001334980450 961866345 /nfs/dbraw/zinc/86/63/45/961866345.db2.gz UIJGULCNZNQSFM-CTNGQTDRSA-N -1 3 382.504 3.464 20 0 GGADHM CCCN1CCCC[C@@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001334980453 961866444 /nfs/dbraw/zinc/86/64/44/961866444.db2.gz UIJGULCNZNQSFM-TZIWHRDSSA-N -1 3 382.504 3.464 20 0 GGADHM CC(C)(CNC(=O)NCc1ccc(C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000262876755 961949918 /nfs/dbraw/zinc/94/99/18/961949918.db2.gz AONHKAGYGZTFOV-UHFFFAOYSA-N -1 3 381.476 3.021 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC(NC(=O)OCc2ccccc2)CC1 ZINC001574556125 961984464 /nfs/dbraw/zinc/98/44/64/961984464.db2.gz LEXCYDQTJMFAML-UHFFFAOYSA-N -1 3 398.459 3.154 20 0 GGADHM CN(CCCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001574030032 961998805 /nfs/dbraw/zinc/99/88/05/961998805.db2.gz KLKCBDWNDGFWKQ-UHFFFAOYSA-N -1 3 383.876 3.142 20 0 GGADHM Cn1cc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(-c2ccc(F)cc2)n1 ZINC001339152470 962013725 /nfs/dbraw/zinc/01/37/25/962013725.db2.gz SBLYKVMTGLFZNS-OCCSQVGLSA-N -1 3 385.361 3.311 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001339837573 962075744 /nfs/dbraw/zinc/07/57/44/962075744.db2.gz XBASMDVJYGRNNE-HOTGVXAUSA-N -1 3 379.526 3.171 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001339837570 962075923 /nfs/dbraw/zinc/07/59/23/962075923.db2.gz XBASMDVJYGRNNE-CVEARBPZSA-N -1 3 379.526 3.171 20 0 GGADHM CC(C)(CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001341353033 962132659 /nfs/dbraw/zinc/13/26/59/962132659.db2.gz JIBCHLAKKLNPGP-KRWDZBQOSA-N -1 3 387.524 3.110 20 0 GGADHM Cc1ccc2[nH]c(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cc2c1 ZINC001344473280 962177533 /nfs/dbraw/zinc/17/75/33/962177533.db2.gz NLQODGDMEVRIGV-HSZRJFAPSA-N -1 3 391.471 3.326 20 0 GGADHM Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c2c1CCC2 ZINC001345094856 962222520 /nfs/dbraw/zinc/22/25/20/962222520.db2.gz AFBRCBDNUQUETM-XMMPIXPASA-N -1 3 392.499 3.333 20 0 GGADHM O=C([O-])c1cc(C2CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)no1 ZINC001345132957 962237695 /nfs/dbraw/zinc/23/76/95/962237695.db2.gz HZNBFZGOBCBASZ-IBGZPJMESA-N -1 3 397.475 3.134 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CCSCC2)N(C)C)cc1 ZINC001588906247 962279027 /nfs/dbraw/zinc/27/90/27/962279027.db2.gz SWBZZKGPLRIBCR-GOSISDBHSA-N -1 3 392.565 3.202 20 0 GGADHM C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263145243 962299943 /nfs/dbraw/zinc/29/99/43/962299943.db2.gz ORVWZSRZNNTPRD-UONOGXRCSA-N -1 3 384.879 3.403 20 0 GGADHM C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263145245 962300268 /nfs/dbraw/zinc/30/02/68/962300268.db2.gz ORVWZSRZNNTPRD-ZIAGYGMSSA-N -1 3 384.879 3.403 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2csc3c2CCCC3)CCCN(Cc2ccccc2)C1 ZINC001346258759 962334172 /nfs/dbraw/zinc/33/41/72/962334172.db2.gz GXAJKZCXHIXLPB-JOCHJYFZSA-N -1 3 398.528 3.476 20 0 GGADHM Cc1ccc(SCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001347495194 962390597 /nfs/dbraw/zinc/39/05/97/962390597.db2.gz AORCMFVYNGPTCM-JOCHJYFZSA-N -1 3 398.528 3.323 20 0 GGADHM CC(C)OC(=O)C[C@@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(C)C ZINC001588928459 962453638 /nfs/dbraw/zinc/45/36/38/962453638.db2.gz XWGCOTVGAKESPS-DOTOQJQBSA-N -1 3 380.485 3.037 20 0 GGADHM CC(C)OC(=O)C[C@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(C)C ZINC001588928461 962453822 /nfs/dbraw/zinc/45/38/22/962453822.db2.gz XWGCOTVGAKESPS-RDJZCZTQSA-N -1 3 380.485 3.037 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)N(C)C)cc1 ZINC001588938245 962518350 /nfs/dbraw/zinc/51/83/50/962518350.db2.gz WUXIZFHCSKOKLR-KRWDZBQOSA-N -1 3 390.524 3.330 20 0 GGADHM C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000263378176 962535032 /nfs/dbraw/zinc/53/50/32/962535032.db2.gz BBANJZIQIHBCKY-OAHLLOKOSA-N -1 3 388.489 3.118 20 0 GGADHM CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@@H]1CCCN(C)C1 ZINC000263442805 962623204 /nfs/dbraw/zinc/62/32/04/962623204.db2.gz WZVNNNCEFUBMAX-HXUWFJFHSA-N -1 3 381.476 3.163 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)Cc2ccccc21 ZINC001356607215 962743919 /nfs/dbraw/zinc/74/39/19/962743919.db2.gz DRVAYLLGOLOVBF-CTNGQTDRSA-N -1 3 393.487 3.045 20 0 GGADHM CC(C)n1ncc2cc(CNC[C@H]3CCC4(CC(C(=O)[O-])C4)O3)c(Cl)nc21 ZINC001588986789 962757089 /nfs/dbraw/zinc/75/70/89/962757089.db2.gz HBPVRNSGEVDNJT-XAUUPUKJSA-N -1 3 392.887 3.168 20 0 GGADHM CN1CCCC[C@@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001517416665 962792187 /nfs/dbraw/zinc/79/21/87/962792187.db2.gz WJGMPRUYFYEURW-CQSZACIVSA-N -1 3 388.489 3.484 20 0 GGADHM Cc1ccc(C[C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001526703874 962875416 /nfs/dbraw/zinc/87/54/16/962875416.db2.gz COAHZUOPDNGTDQ-NTKDMRAZSA-N -1 3 394.515 3.409 20 0 GGADHM CCc1cccc(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001526704175 962875508 /nfs/dbraw/zinc/87/55/08/962875508.db2.gz HGODCFACWNNMHW-HSZRJFAPSA-N -1 3 380.488 3.027 20 0 GGADHM Cc1cc(C)cc(CCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001526692130 962875968 /nfs/dbraw/zinc/87/59/68/962875968.db2.gz BGJCOOVGAHHPHO-DEOSSOPVSA-N -1 3 394.515 3.472 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)Nc3cccc(CCC(=O)[O-])c3)c2)CC1 ZINC000263086419 967844306 /nfs/dbraw/zinc/84/43/06/967844306.db2.gz RZBQXJVTSRSZCW-UHFFFAOYSA-N -1 3 396.491 3.490 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000263225406 967863174 /nfs/dbraw/zinc/86/31/74/967863174.db2.gz ZXURUGSEUPJYTP-AEFFLSMTSA-N -1 3 376.472 3.141 20 0 GGADHM O=C([O-])c1cccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000263406724 967889433 /nfs/dbraw/zinc/88/94/33/967889433.db2.gz KCDCOIMJTOEZHF-QGZVFWFLSA-N -1 3 390.386 3.271 20 0 GGADHM CC(C)C[C@@H](CNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000263467042 967895670 /nfs/dbraw/zinc/89/56/70/967895670.db2.gz GNOFHLJMUXHWPS-VIFPVBQESA-N -1 3 394.107 3.443 20 0 GGADHM O=C([O-])c1ccccc1C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000372636943 968060490 /nfs/dbraw/zinc/06/04/90/968060490.db2.gz FNDJBMZUSKBDAP-UHFFFAOYSA-N -1 3 397.862 3.426 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603654 968098593 /nfs/dbraw/zinc/09/85/93/968098593.db2.gz PIKCEXQCKJYJPO-MJGOQNOKSA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603651 968098655 /nfs/dbraw/zinc/09/86/55/968098655.db2.gz PIKCEXQCKJYJPO-IEBWSBKVSA-N -1 3 375.513 3.039 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000532881686 968401009 /nfs/dbraw/zinc/40/10/09/968401009.db2.gz PQONEGJILSHDPN-FQEVSTJZSA-N -1 3 396.487 3.069 20 0 GGADHM O=C([O-])C[C@H]1CCCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000532880887 968401276 /nfs/dbraw/zinc/40/12/76/968401276.db2.gz CYHASLCYKONDFV-OPAMFIHVSA-N -1 3 398.528 3.409 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC000563077262 968414475 /nfs/dbraw/zinc/41/44/75/968414475.db2.gz FZZLMGLOLBOMHE-AHRSYUTCSA-N -1 3 389.540 3.240 20 0 GGADHM Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)cc1 ZINC000635519799 968548440 /nfs/dbraw/zinc/54/84/40/968548440.db2.gz SEBBSXGUWZAHPI-XGXHKWSGSA-N -1 3 387.524 3.004 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000647367629 968572943 /nfs/dbraw/zinc/57/29/43/968572943.db2.gz YAIFAIHWHGKNRU-QLVMHMETSA-N -1 3 398.528 3.407 20 0 GGADHM C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578312 968684620 /nfs/dbraw/zinc/68/46/20/968684620.db2.gz QORHMUQSKNAAKZ-QNDJGXFYSA-N -1 3 390.499 3.289 20 0 GGADHM C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578311 968684800 /nfs/dbraw/zinc/68/48/00/968684800.db2.gz QORHMUQSKNAAKZ-OYSPMZIOSA-N -1 3 390.499 3.289 20 0 GGADHM C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578313 968684866 /nfs/dbraw/zinc/68/48/66/968684866.db2.gz QORHMUQSKNAAKZ-SKWUIDRYSA-N -1 3 390.499 3.289 20 0 GGADHM C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655860893 968695747 /nfs/dbraw/zinc/69/57/47/968695747.db2.gz WUMWRUZLYCKPCB-QXSJWSMHSA-N -1 3 393.553 3.320 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC000874412141 969391037 /nfs/dbraw/zinc/39/10/37/969391037.db2.gz NBSMGUSCHDTSOY-UHFFFAOYSA-N -1 3 381.476 3.191 20 0 GGADHM CN(CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000874426747 969400059 /nfs/dbraw/zinc/40/00/59/969400059.db2.gz XFSUMFCPYSBGED-MEMLXQNLSA-N -1 3 395.503 3.193 20 0 GGADHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000903678593 969584263 /nfs/dbraw/zinc/58/42/63/969584263.db2.gz PDCRBKQVHMSPBZ-LBPRGKRZSA-N -1 3 378.469 3.397 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCCN(Cc4ccccc4)CC3)o2)CC1 ZINC000904189298 969597883 /nfs/dbraw/zinc/59/78/83/969597883.db2.gz IAMGGANDAMJWIV-UHFFFAOYSA-N -1 3 397.519 3.289 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN(CCCO)[C@H]3CCc4ccccc43)o2)CC1 ZINC000904193589 969600296 /nfs/dbraw/zinc/60/02/96/969600296.db2.gz LBNGUHOCAXGEPJ-NRFANRHFSA-N -1 3 398.503 3.453 20 0 GGADHM CCCN(C(=O)c1ccc(C(=O)[O-])nc1)C1CCN(Cc2ccccc2)CC1 ZINC000908092998 969614035 /nfs/dbraw/zinc/61/40/35/969614035.db2.gz ZLUQHTAUOFHTPO-UHFFFAOYSA-N -1 3 381.476 3.297 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000923469024 969651660 /nfs/dbraw/zinc/65/16/60/969651660.db2.gz CUNOVXYFNPJBBN-OAQYLSRUSA-N -1 3 390.499 3.331 20 0 GGADHM C[C@]1(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCN(Cc2ccccc2)C1 ZINC001121844259 969680100 /nfs/dbraw/zinc/68/01/00/969680100.db2.gz RQVUBSLROQXLFK-JTAQYXEDSA-N -1 3 393.487 3.263 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121925845 969684109 /nfs/dbraw/zinc/68/41/09/969684109.db2.gz LIIQNNKOOCKZEJ-SFTDATJTSA-N -1 3 395.503 3.116 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001121925844 969684134 /nfs/dbraw/zinc/68/41/34/969684134.db2.gz LIIQNNKOOCKZEJ-RTWAWAEBSA-N -1 3 395.503 3.116 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001122291859 969685697 /nfs/dbraw/zinc/68/56/97/969685697.db2.gz PBUNMQYYIWQFKV-UTKZUKDTSA-N -1 3 376.472 3.141 20 0 GGADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC001338582467 969734980 /nfs/dbraw/zinc/73/49/80/969734980.db2.gz MKZNFILKXBHYEN-SIKLNZKXSA-N -1 3 389.540 3.429 20 0 GGADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC001338582468 969735095 /nfs/dbraw/zinc/73/50/95/969735095.db2.gz MKZNFILKXBHYEN-UGKGYDQZSA-N -1 3 389.540 3.429 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c2ccccc21 ZINC001341355154 969751908 /nfs/dbraw/zinc/75/19/08/969751908.db2.gz ZKMHROGSWGAIOV-DZFGPLHGSA-N -1 3 393.487 3.263 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c2ccccc21 ZINC001341355158 969751942 /nfs/dbraw/zinc/75/19/42/969751942.db2.gz ZKMHROGSWGAIOV-WMQCIHAUSA-N -1 3 393.487 3.263 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001341448704 969753424 /nfs/dbraw/zinc/75/34/24/969753424.db2.gz DPYCVEMTIHPBDX-PMACEKPBSA-N -1 3 381.476 3.073 20 0 GGADHM CN(CCCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1F ZINC001604168292 972583004 /nfs/dbraw/zinc/58/30/04/972583004.db2.gz BBLXUSPAWTYZRT-INIZCTEOSA-N -1 3 389.471 3.336 20 0 GGADHM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001603311095 972604355 /nfs/dbraw/zinc/60/43/55/972604355.db2.gz UIEMTDRHXYSMNK-UHFFFAOYSA-N -1 3 381.476 3.020 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc(I)c1)c1ccc(F)cc1 ZINC001605903652 972746927 /nfs/dbraw/zinc/74/69/27/972746927.db2.gz LQHKYDMBECYHNB-AWEZNQCLSA-N -1 3 385.176 3.346 20 0 GGADHM O=C([O-])C1(CCN2CCN(Cc3cc(Br)ccc3F)CC2)CCC1 ZINC001605951372 972914891 /nfs/dbraw/zinc/91/48/91/972914891.db2.gz XEJNKCRRXUTJCZ-UHFFFAOYSA-N -1 3 399.304 3.351 20 0 GGADHM Cc1cc(N2CCC[C@H](N(C)CCCC(=O)[O-])C2=O)ccc1Br ZINC001605194460 972920835 /nfs/dbraw/zinc/92/08/35/972920835.db2.gz GYNQUYRUENLYOY-HNNXBMFYSA-N -1 3 383.286 3.050 20 0 GGADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cnc(CCc3ccccc3)s1)O2 ZINC001605988138 973045077 /nfs/dbraw/zinc/04/50/77/973045077.db2.gz TUBMXUARLSRBKQ-BATSVXPKSA-N -1 3 386.517 3.430 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000398040223 973058413 /nfs/dbraw/zinc/05/84/13/973058413.db2.gz OXLPGIWHPIIQCL-QYZOEREBSA-N -1 3 375.513 3.086 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H]3CCC[C@H](C(F)(F)F)O3)o2)C1 ZINC001605997876 973074556 /nfs/dbraw/zinc/07/45/56/973074556.db2.gz ICEJSAJRTZOQGY-UMVBOHGHSA-N -1 3 390.402 3.170 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CC[C@@H](COc4ccccc4)C3)o2)C1 ZINC001605999492 973087502 /nfs/dbraw/zinc/08/75/02/973087502.db2.gz UCTXXRXWFBXFOV-QZTJIDSGSA-N -1 3 384.476 3.482 20 0 GGADHM Cc1cccc2oc(CCNCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)nc21 ZINC001605350268 973252333 /nfs/dbraw/zinc/25/23/33/973252333.db2.gz VTNWTDLCSJQBJF-OAHLLOKOSA-N -1 3 383.448 3.363 20 0 GGADHM Cc1csc(C[C@H]2CCN(Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380577 973338592 /nfs/dbraw/zinc/33/85/92/973338592.db2.gz KXSGJYDWBUCOAB-HZPDHXFCSA-N -1 3 389.521 3.410 20 0 GGADHM O=C([O-])CN1CC[C@@H](N[C@@H](CCCCc2ccccc2)c2ccccc2)C1=O ZINC001606243963 973522370 /nfs/dbraw/zinc/52/23/70/973522370.db2.gz PGGJVWJLPJSUAN-LEWJYISDSA-N -1 3 380.488 3.416 20 0 GGADHM O=C([O-])CN1CC[C@@H](N[C@H](CCCCc2ccccc2)c2ccccc2)C1=O ZINC001606243964 973522571 /nfs/dbraw/zinc/52/25/71/973522571.db2.gz PGGJVWJLPJSUAN-NHCUHLMSSA-N -1 3 380.488 3.416 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC001604542355 973534522 /nfs/dbraw/zinc/53/45/22/973534522.db2.gz VRTSQNBVGGGFOQ-OAQYLSRUSA-N -1 3 399.422 3.189 20 0 GGADHM O=C([O-])CN1CCCC[C@@H](NCc2cccc(Oc3ccc(F)cc3)c2)C1=O ZINC001606258248 973609028 /nfs/dbraw/zinc/60/90/28/973609028.db2.gz AQUIPHQLKLYIQC-LJQANCHMSA-N -1 3 386.423 3.173 20 0 GGADHM CC[C@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H](O)c1ccccc1F ZINC001603585867 973758021 /nfs/dbraw/zinc/75/80/21/973758021.db2.gz NWQHZMXVTTVLEZ-DCPHZVHLSA-N -1 3 390.455 3.322 20 0 GGADHM CC[C@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H](O)c1ccccc1F ZINC001603585869 973758127 /nfs/dbraw/zinc/75/81/27/973758127.db2.gz NWQHZMXVTTVLEZ-WNYOCNMUSA-N -1 3 390.455 3.322 20 0 GGADHM Cn1ncc(C(=O)[O-])c1CNCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001605556156 973784409 /nfs/dbraw/zinc/78/44/09/973784409.db2.gz WWTYGWHRINLNKA-UHFFFAOYSA-N -1 3 397.385 3.001 20 0 GGADHM O=C([O-])[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC001606435031 973887116 /nfs/dbraw/zinc/88/71/16/973887116.db2.gz YAXSPCXOSQEEOT-WDVBMNPBSA-N -1 3 376.305 3.144 20 0 GGADHM CC1CCN([C@H](CNC(=O)NCCCCCC(=O)[O-])c2cccs2)CC1 ZINC000414597813 973941010 /nfs/dbraw/zinc/94/10/10/973941010.db2.gz JUSQBROSDMNRHL-MRXNPFEDSA-N -1 3 381.542 3.465 20 0 GGADHM CC1CCN([C@@H](CNC(=O)NCCCCCC(=O)[O-])c2cccs2)CC1 ZINC000414597812 973941265 /nfs/dbraw/zinc/94/12/65/973941265.db2.gz JUSQBROSDMNRHL-INIZCTEOSA-N -1 3 381.542 3.465 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000414640826 973945319 /nfs/dbraw/zinc/94/53/19/973945319.db2.gz SEYKWZABVFQMRC-NRFANRHFSA-N -1 3 380.488 3.488 20 0 GGADHM CCCC[C@@](C)(N[C@H]1CCN(CC(=O)[O-])C1=O)c1cccc(Br)c1 ZINC001603640918 973986602 /nfs/dbraw/zinc/98/66/02/973986602.db2.gz LVYJLOZWLMTOMT-MAUKXSAKSA-N -1 3 397.313 3.130 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001604772127 973991177 /nfs/dbraw/zinc/99/11/77/973991177.db2.gz FLOHQDCKCBJEAI-AABGKKOBSA-N -1 3 382.460 3.164 20 0 GGADHM CC(C)(CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000424230344 974020426 /nfs/dbraw/zinc/02/04/26/974020426.db2.gz LVDXWQWPTJVYET-SFHVURJKSA-N -1 3 386.414 3.058 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000426705854 974043604 /nfs/dbraw/zinc/04/36/04/974043604.db2.gz QHHYYKCQFDSPTF-MRXNPFEDSA-N -1 3 391.258 3.360 20 0 GGADHM COc1cccc([C@H](CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)OC)c1 ZINC001604856865 974099909 /nfs/dbraw/zinc/09/99/09/974099909.db2.gz FZMAJNBNQCTRDG-LPHOPBHVSA-N -1 3 388.464 3.067 20 0 GGADHM COc1cccc(CN2CCC(NC(=O)C3(C(=O)[O-])CCCCCC3)CC2)c1 ZINC001604863379 974108854 /nfs/dbraw/zinc/10/88/54/974108854.db2.gz WRLUAWREYWDINN-UHFFFAOYSA-N -1 3 388.508 3.201 20 0 GGADHM CCN(CC)[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccco1 ZINC001603732646 974171891 /nfs/dbraw/zinc/17/18/91/974171891.db2.gz NWLRYHPQNMUWOT-WMZOPIPTSA-N -1 3 389.496 3.346 20 0 GGADHM CO[C@H]1CCN(Cc2c(C)cc(C)nc2OCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000514798193 974292419 /nfs/dbraw/zinc/29/24/19/974292419.db2.gz GZEBOJHOHWUJPE-ICSRJNTNSA-N -1 3 384.476 3.341 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(CC(C)C)C(C)C)c(C(=O)[O-])c1C ZINC001603823450 974308052 /nfs/dbraw/zinc/30/80/52/974308052.db2.gz BKVHLJULEROKMY-UHFFFAOYSA-N -1 3 384.498 3.236 20 0 GGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCN3CCc4ccccc4C3)c12 ZINC000517943178 974320560 /nfs/dbraw/zinc/32/05/60/974320560.db2.gz NHGSFKYQZNLPSP-UHFFFAOYSA-N -1 3 382.489 3.477 20 0 GGADHM O=C([O-])c1ccc(F)c2c1CN(C[C@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000530167344 974360380 /nfs/dbraw/zinc/36/03/80/974360380.db2.gz ADOUWVNUQLDPSW-GOSISDBHSA-N -1 3 398.478 3.173 20 0 GGADHM O=C([O-])c1cc(CN2CCC(Cc3nc(C4CCOCC4)no3)CC2)cs1 ZINC000530172087 974361112 /nfs/dbraw/zinc/36/11/12/974361112.db2.gz IJAQCORAIIOTQN-UHFFFAOYSA-N -1 3 391.493 3.178 20 0 GGADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2)cc(Br)c1O ZINC001603860076 974361137 /nfs/dbraw/zinc/36/11/37/974361137.db2.gz JUYRCZPAUYPRKU-HNNXBMFYSA-N -1 3 380.238 3.469 20 0 GGADHM CCn1c2ccccc2c2cc(CN[C@@H]3CCCCN(CC(=O)[O-])C3=O)ccc21 ZINC001604007200 974513383 /nfs/dbraw/zinc/51/33/83/974513383.db2.gz XWZXMGRELRPVMO-LJQANCHMSA-N -1 3 393.487 3.370 20 0 GGADHM C[C@H](c1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1)C(F)(F)F ZINC000563290130 974529787 /nfs/dbraw/zinc/52/97/87/974529787.db2.gz QMZBUJIJLUOAFC-IUODEOHRSA-N -1 3 382.386 3.479 20 0 GGADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000566362822 974610598 /nfs/dbraw/zinc/61/05/98/974610598.db2.gz WVOQBNWMTLAUKO-GOEBONIOSA-N -1 3 387.398 3.179 20 0 GGADHM C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000568072700 974660843 /nfs/dbraw/zinc/66/08/43/974660843.db2.gz LLHMRRJNPOOZRK-KSFYIVLOSA-N -1 3 377.444 3.450 20 0 GGADHM O=C([O-])c1cccc2c1CCN(C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000570177814 974705618 /nfs/dbraw/zinc/70/56/18/974705618.db2.gz FVOPVPYGZSORFI-HNNXBMFYSA-N -1 3 379.378 3.365 20 0 GGADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)c12 ZINC000570399499 974709642 /nfs/dbraw/zinc/70/96/42/974709642.db2.gz DTKHZUZQDUHORJ-LRDDRELGSA-N -1 3 396.516 3.361 20 0 GGADHM COc1cccc(OC)c1OC1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000570403020 974711094 /nfs/dbraw/zinc/71/10/94/974711094.db2.gz FLGKHGSGMGHGGM-KRWDZBQOSA-N -1 3 377.462 3.434 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000571571465 974732283 /nfs/dbraw/zinc/73/22/83/974732283.db2.gz SZQAXAZOHDOPCZ-PBHICJAKSA-N -1 3 396.270 3.245 20 0 GGADHM COc1ccc(C[C@@H](C)CN(C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000572848540 974754900 /nfs/dbraw/zinc/75/49/00/974754900.db2.gz ODYWDLNKMZFTMJ-SJORKVTESA-N -1 3 398.503 3.209 20 0 GGADHM COc1cccc(CN(CCOc2cccc(C(=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000573855858 974772339 /nfs/dbraw/zinc/77/23/39/974772339.db2.gz ZRKWXDUSDOKRFS-OAQYLSRUSA-N -1 3 385.460 3.453 20 0 GGADHM CC[C@@H](c1ccccc1)N(CCOc1cccc(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000574652624 974786952 /nfs/dbraw/zinc/78/69/52/974786952.db2.gz TVUGVVUYFWHAJD-IBGZPJMESA-N -1 3 391.489 3.007 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1 ZINC000574922504 974792227 /nfs/dbraw/zinc/79/22/27/974792227.db2.gz XIJOHCSAZCABGX-UQJUHCJGSA-N -1 3 389.492 3.499 20 0 GGADHM O=C([O-])c1cn([C@H]2CCCN(CCCOc3cccc(C(F)(F)F)c3)C2)nn1 ZINC000579723468 974881839 /nfs/dbraw/zinc/88/18/39/974881839.db2.gz JJGHRMREZRHJDZ-AWEZNQCLSA-N -1 3 398.385 3.101 20 0 GGADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582551578 974927781 /nfs/dbraw/zinc/92/77/81/974927781.db2.gz JLYFYVZNCNZMRF-AAEUAGOBSA-N -1 3 384.358 3.273 20 0 GGADHM COc1cc(CN(CC(=O)[O-])Cc2ccc(OC(F)F)cc2)cc(OC)c1 ZINC000584237128 974952266 /nfs/dbraw/zinc/95/22/66/974952266.db2.gz LUUGRQYKROCNFB-UHFFFAOYSA-N -1 3 381.375 3.392 20 0 GGADHM O=C([O-])c1cnc(C2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)s1 ZINC000630246355 975192880 /nfs/dbraw/zinc/19/28/80/975192880.db2.gz VULCVSJECYVEDK-KRWDZBQOSA-N -1 3 399.516 3.212 20 0 GGADHM C[C@@H](NC(=O)CN1CCCC[C@H]1CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000650506005 975447133 /nfs/dbraw/zinc/44/71/33/975447133.db2.gz ZAASLCPXPDMSJC-OCCSQVGLSA-N -1 3 388.386 3.092 20 0 GGADHM C[C@H](NC(=O)CN1CCCC[C@@H]1CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000650506003 975447321 /nfs/dbraw/zinc/44/73/21/975447321.db2.gz ZAASLCPXPDMSJC-GXTWGEPZSA-N -1 3 388.386 3.092 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000652406715 975524731 /nfs/dbraw/zinc/52/47/31/975524731.db2.gz PEIGMEWNLZSFGG-HNNXBMFYSA-N -1 3 382.395 3.349 20 0 GGADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656764370 975694160 /nfs/dbraw/zinc/69/41/60/975694160.db2.gz XMAMUGZXMGXQIU-IEBWSBKVSA-N -1 3 388.489 3.027 20 0 GGADHM Cc1cccc(S(=O)(=O)CCCN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000656767533 975701216 /nfs/dbraw/zinc/70/12/16/975701216.db2.gz SDPQGXNRGPQBLR-QYZOEREBSA-N -1 3 379.522 3.124 20 0 GGADHM CC(C)Oc1c(NC(=O)NCCN(C)Cc2ccccc2)cccc1C(=O)[O-] ZINC001591746431 975783902 /nfs/dbraw/zinc/78/39/02/975783902.db2.gz GOYYKTPBQWOYFL-UHFFFAOYSA-N -1 3 385.464 3.426 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)N2CCCC2)cc1 ZINC000659755508 975863665 /nfs/dbraw/zinc/86/36/65/975863665.db2.gz YMABJBUYZVFJMH-FQEVSTJZSA-N -1 3 382.460 3.025 20 0 GGADHM O=C([O-])c1cn(C2CCN(Cc3ccccc3OCc3ccccc3)CC2)nn1 ZINC000659795173 975885286 /nfs/dbraw/zinc/88/52/86/975885286.db2.gz OWIRRXSMTYDGFW-UHFFFAOYSA-N -1 3 392.459 3.392 20 0 GGADHM CC(C)Oc1ccc([C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)N(C)C)cc1 ZINC001591773370 975913151 /nfs/dbraw/zinc/91/31/51/975913151.db2.gz ZGDQUBDBQMYIBF-OSFYOIPJSA-N -1 3 388.508 3.228 20 0 GGADHM CC(C)c1c(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cnn1-c1ccccc1 ZINC001591922705 976397727 /nfs/dbraw/zinc/39/77/27/976397727.db2.gz GOEGGTPHKGDAQC-UHFFFAOYSA-N -1 3 399.495 3.008 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c([O-])c1 ZINC001591943622 976482138 /nfs/dbraw/zinc/48/21/38/976482138.db2.gz YZHAEIJRVLOCEV-QHCPKHFHSA-N -1 3 396.487 3.365 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c([O-])c1 ZINC001591943622 976482144 /nfs/dbraw/zinc/48/21/44/976482144.db2.gz YZHAEIJRVLOCEV-QHCPKHFHSA-N -1 3 396.487 3.365 20 0 GGADHM CC(C)c1ccc(C2(C(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)CCCCC2)cc1 ZINC001591948355 976499071 /nfs/dbraw/zinc/49/90/71/976499071.db2.gz FYJKHJYBKOAMNY-LJQANCHMSA-N -1 3 386.536 3.487 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001591971978 976569077 /nfs/dbraw/zinc/56/90/77/976569077.db2.gz ABFACSPPAPBRRX-SFHVURJKSA-N -1 3 390.524 3.128 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC001592267545 977514808 /nfs/dbraw/zinc/51/48/08/977514808.db2.gz DWLTYAKMACTLBW-CYBMUJFWSA-N -1 3 382.416 3.110 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(OC(C)(C)C)nc1 ZINC001592268607 977524182 /nfs/dbraw/zinc/52/41/82/977524182.db2.gz NTLZSEARMWDTCB-CQSZACIVSA-N -1 3 385.464 3.464 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001592270036 977532856 /nfs/dbraw/zinc/53/28/56/977532856.db2.gz OPWOTUABUIUDJY-UZLBHIALSA-N -1 3 392.459 3.330 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001592270033 977533056 /nfs/dbraw/zinc/53/30/56/977533056.db2.gz OPWOTUABUIUDJY-OXJNMPFZSA-N -1 3 392.459 3.330 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cc2ccccc2[nH]c1=O ZINC001592270669 977539113 /nfs/dbraw/zinc/53/91/13/977539113.db2.gz ZUFFCTSMJYTMNQ-ZDUSSCGKSA-N -1 3 379.416 3.146 20 0 GGADHM C[C@@](CC(=O)[O-])(NCCOc1ccc(Br)cc1)c1ccccn1 ZINC001592316569 977694427 /nfs/dbraw/zinc/69/44/27/977694427.db2.gz BHABZYZQJHATKU-KRWDZBQOSA-N -1 3 379.254 3.203 20 0 GGADHM CC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1C[C@@H](C)O ZINC000736945930 978368471 /nfs/dbraw/zinc/36/84/71/978368471.db2.gz ZUMOKOIIUMGXQJ-CHWSQXEVSA-N -1 3 380.485 3.016 20 0 GGADHM CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000737948737 978462423 /nfs/dbraw/zinc/46/24/23/978462423.db2.gz BXMWGCPPOUNJAU-OAHLLOKOSA-N -1 3 391.493 3.174 20 0 GGADHM COc1cccc([C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)N2CCCC2)c1 ZINC000743411874 978678133 /nfs/dbraw/zinc/67/81/33/978678133.db2.gz BCWHBRPRBNHEKZ-LJQANCHMSA-N -1 3 388.508 3.374 20 0 GGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000833131796 979089803 /nfs/dbraw/zinc/08/98/03/979089803.db2.gz GDPBFAWAIKWZEM-SFHVURJKSA-N -1 3 377.460 3.048 20 0 GGADHM C[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC001592706793 979179419 /nfs/dbraw/zinc/17/94/19/979179419.db2.gz NDEXMXOXFHAYJK-GXFFZTMASA-N -1 3 392.374 3.214 20 0 GGADHM C[C@H](CN[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC001592706794 979179552 /nfs/dbraw/zinc/17/95/52/979179552.db2.gz NDEXMXOXFHAYJK-MFKMUULPSA-N -1 3 392.374 3.214 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n(C)c1C ZINC000841794750 979311258 /nfs/dbraw/zinc/31/12/58/979311258.db2.gz BTNCDEJCYGMORY-OAHLLOKOSA-N -1 3 384.354 3.054 20 0 GGADHM O=C([O-])[C@@H]1c2ccccc2CCN1C[C@@H](O)c1ccccc1Br ZINC000846275695 979443150 /nfs/dbraw/zinc/44/31/50/979443150.db2.gz UAFRBHWUTFYJLG-SJORKVTESA-N -1 3 376.250 3.167 20 0 GGADHM O=C([O-])[C@]12CN(Cc3csc(-c4ccc(Cl)cc4)n3)C[C@H]1COCC2 ZINC000846282380 979452841 /nfs/dbraw/zinc/45/28/41/979452841.db2.gz PPLXWMIMBDDPSY-SCLBCKFNSA-N -1 3 378.881 3.387 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846282673 979454124 /nfs/dbraw/zinc/45/41/24/979454124.db2.gz BPOHXUHYUADPQX-SWLSCSKDSA-N -1 3 388.277 3.444 20 0 GGADHM CCC(CC)CN(CC)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595111324 979456948 /nfs/dbraw/zinc/45/69/48/979456948.db2.gz GDIZSTWMCYFFAJ-UHFFFAOYSA-N -1 3 384.498 3.238 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001592837665 979582410 /nfs/dbraw/zinc/58/24/10/979582410.db2.gz BPOKVZCIVYZEGV-RTBURBONSA-N -1 3 384.879 3.055 20 0 GGADHM O=C([O-])C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000852959512 979592285 /nfs/dbraw/zinc/59/22/85/979592285.db2.gz NJHXWRYOKMSKBR-APWZRJJASA-N -1 3 398.425 3.058 20 0 GGADHM CC[C@@H](CNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001595147416 979628288 /nfs/dbraw/zinc/62/82/88/979628288.db2.gz SMCTVYMTCITNKR-ZRCGQRJVSA-N -1 3 399.535 3.110 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)CCNCc1ccoc1C(=O)[O-] ZINC000859792492 979632169 /nfs/dbraw/zinc/63/21/69/979632169.db2.gz DKCWJKZKZHQKDA-UHFFFAOYSA-N -1 3 381.226 3.167 20 0 GGADHM CC[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC001595149298 979634151 /nfs/dbraw/zinc/63/41/51/979634151.db2.gz CLQZFOGSGZDAFS-LJQANCHMSA-N -1 3 399.466 3.160 20 0 GGADHM CC[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC001595149296 979634369 /nfs/dbraw/zinc/63/43/69/979634369.db2.gz CLQZFOGSGZDAFS-IBGZPJMESA-N -1 3 399.466 3.160 20 0 GGADHM CC[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])s1)N1CCc2ccccc2C1 ZINC001595150309 979639951 /nfs/dbraw/zinc/63/99/51/979639951.db2.gz RRHXENXPYFZGKC-INIZCTEOSA-N -1 3 387.505 3.082 20 0 GGADHM CC[C@](CNCc1c(Br)c(C)nn1C)(C(=O)[O-])c1ccccc1 ZINC001595167405 979719798 /nfs/dbraw/zinc/71/97/98/979719798.db2.gz NIKREWMJFNVPIF-QGZVFWFLSA-N -1 3 380.286 3.013 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC1 ZINC000864158697 979771731 /nfs/dbraw/zinc/77/17/31/979771731.db2.gz GPBPVFYMJCQEJW-UHFFFAOYSA-N -1 3 393.443 3.116 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1cc(C(=O)[O-])cs1)CC2 ZINC000872159288 980043219 /nfs/dbraw/zinc/04/32/19/980043219.db2.gz RMGOKFAPFCKUNX-UHFFFAOYSA-N -1 3 377.462 3.073 20 0 GGADHM O=C([O-])c1csc(CN2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 ZINC000872160303 980047192 /nfs/dbraw/zinc/04/71/92/980047192.db2.gz CRHWFVRUCXXIPC-UHFFFAOYSA-N -1 3 391.493 3.178 20 0 GGADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cc3c(cc1Br)OCCCO3)CC2 ZINC000872168585 980071107 /nfs/dbraw/zinc/07/11/07/980071107.db2.gz WDAZZANWBWBEPX-AEFFLSMTSA-N -1 3 396.281 3.440 20 0 GGADHM O=C([O-])[C@@H](CC(F)F)NCc1cc(Br)ccc1Br ZINC000900037846 980239090 /nfs/dbraw/zinc/23/90/90/980239090.db2.gz NMENVIBSNPTJSE-SECBINFHSA-N -1 3 387.018 3.410 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000901428915 980276089 /nfs/dbraw/zinc/27/60/89/980276089.db2.gz DLJFOAUSJUQVHH-OAQYLSRUSA-N -1 3 389.471 3.059 20 0 GGADHM CC[C@H](N[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCCO2 ZINC001595277469 980306549 /nfs/dbraw/zinc/30/65/49/980306549.db2.gz VNMKMJSUYPIBJP-FXAWDEMLSA-N -1 3 387.432 3.342 20 0 GGADHM CC[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1OCC(=O)NC ZINC001595277498 980306589 /nfs/dbraw/zinc/30/65/89/980306589.db2.gz VYDSMPDUBPXNAW-LPHOPBHVSA-N -1 3 390.867 3.331 20 0 GGADHM COc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(OCc2cccnc2)c1 ZINC000901501450 980320585 /nfs/dbraw/zinc/32/05/85/980320585.db2.gz WLIGOENUMIIPSV-IBGZPJMESA-N -1 3 382.460 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000901522213 980341560 /nfs/dbraw/zinc/34/15/60/980341560.db2.gz NCOKPCZTHFETFI-GFCCVEGCSA-N -1 3 380.286 3.420 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc2c(c1)CCO2 ZINC000901527249 980354180 /nfs/dbraw/zinc/35/41/80/980354180.db2.gz CKLWFPUTXYIMOI-CTNGQTDRSA-N -1 3 383.444 3.095 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)ccc1OC(F)F ZINC000901527943 980355447 /nfs/dbraw/zinc/35/54/47/980355447.db2.gz FGNXMYNRUYLZBL-QGZVFWFLSA-N -1 3 379.359 3.147 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(SC)cc1OC ZINC000901531360 980359440 /nfs/dbraw/zinc/35/94/40/980359440.db2.gz LMYJIRUQKGZXCK-IBGZPJMESA-N -1 3 389.473 3.276 20 0 GGADHM CO[C@]1(C(=O)[O-])CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000901540298 980367059 /nfs/dbraw/zinc/36/70/59/980367059.db2.gz AMVNDNGWRRHAAE-OAQYLSRUSA-N -1 3 381.432 3.116 20 0 GGADHM CO[C@@]1(C(=O)[O-])CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000901540296 980367611 /nfs/dbraw/zinc/36/76/11/980367611.db2.gz AMVNDNGWRRHAAE-NRFANRHFSA-N -1 3 381.432 3.116 20 0 GGADHM COc1cc(CN2CC[C@@](OC)(C(=O)[O-])C2)ccc1OCc1cccs1 ZINC000901541616 980369888 /nfs/dbraw/zinc/36/98/88/980369888.db2.gz JDTQXXJZULUGTE-IBGZPJMESA-N -1 3 377.462 3.011 20 0 GGADHM CC[C@](NCCS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595294026 980406127 /nfs/dbraw/zinc/40/61/27/980406127.db2.gz MLOQMFOMLQZGGD-GOSISDBHSA-N -1 3 381.881 3.093 20 0 GGADHM CCN(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000901618647 980408247 /nfs/dbraw/zinc/40/82/47/980408247.db2.gz PLWSBAAAMFHCBL-MRXNPFEDSA-N -1 3 378.270 3.216 20 0 GGADHM COCCN(CCC(=O)[O-])Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000901664835 980433854 /nfs/dbraw/zinc/43/38/54/980433854.db2.gz ZQFXFTWZIVRHGS-UHFFFAOYSA-N -1 3 384.192 3.391 20 0 GGADHM CO[C@@H](CN[C@H](C(=O)[O-])c1ccccc1Br)Cc1ccccc1 ZINC000901747160 980478021 /nfs/dbraw/zinc/47/80/21/980478021.db2.gz GNYWVAWJJRXRPV-PBHICJAKSA-N -1 3 378.266 3.422 20 0 GGADHM CO[C@H](CN[C@H](C(=O)[O-])c1ccccc1Br)Cc1ccccc1 ZINC000901747163 980478099 /nfs/dbraw/zinc/47/80/99/980478099.db2.gz GNYWVAWJJRXRPV-YOEHRIQHSA-N -1 3 378.266 3.422 20 0 GGADHM CO[C@H](CN[C@@H](C(=O)[O-])c1ccccc1Br)Cc1ccccc1 ZINC000901747162 980478277 /nfs/dbraw/zinc/47/82/77/980478277.db2.gz GNYWVAWJJRXRPV-WMLDXEAASA-N -1 3 378.266 3.422 20 0 GGADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000901781137 980511599 /nfs/dbraw/zinc/51/15/99/980511599.db2.gz YPYYILSCQMOQNO-GFCCVEGCSA-N -1 3 381.276 3.386 20 0 GGADHM COC[C@H](Cc1ccccc1)NCc1ccc(C(=O)[O-])cc1Br ZINC000901781764 980512571 /nfs/dbraw/zinc/51/25/71/980512571.db2.gz VTLCJZWAPCNDFK-INIZCTEOSA-N -1 3 378.266 3.495 20 0 GGADHM COc1cccc(C[C@H](C)NCc2ccc(C(=O)[O-])cc2Br)n1 ZINC000901781692 980512622 /nfs/dbraw/zinc/51/26/22/980512622.db2.gz REHAGBATPPOLNQ-NSHDSACASA-N -1 3 379.254 3.272 20 0 GGADHM COC[C@@H](Cc1ccccc1)NCc1ccc(C(=O)[O-])cc1Br ZINC000901781765 980512776 /nfs/dbraw/zinc/51/27/76/980512776.db2.gz VTLCJZWAPCNDFK-MRXNPFEDSA-N -1 3 378.266 3.495 20 0 GGADHM CC[C@](O)(CN(CC(=O)[O-])Cc1cccc(Br)c1)C(F)(F)F ZINC001595326305 980537823 /nfs/dbraw/zinc/53/78/23/980537823.db2.gz IXPKWYLAZDTDRR-ZDUSSCGKSA-N -1 3 384.192 3.039 20 0 GGADHM Cc1cc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ncc1Br ZINC000901824528 980544345 /nfs/dbraw/zinc/54/43/45/980544345.db2.gz AAJJXWXQEXBEBC-SFHVURJKSA-N -1 3 375.266 3.381 20 0 GGADHM Cc1nn2c(CN3CC[C@](C(=O)[O-])(c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000901826149 980546461 /nfs/dbraw/zinc/54/64/61/980546461.db2.gz GUGPQDSABCKQOX-HXUWFJFHSA-N -1 3 384.505 3.451 20 0 GGADHM O=C([O-])C[C@]1(NCc2ccc(-c3ccc(Br)cc3)o2)CCOC1 ZINC000901837660 980555939 /nfs/dbraw/zinc/55/59/39/980555939.db2.gz PHPUESQNABNWFG-QGZVFWFLSA-N -1 3 380.238 3.433 20 0 GGADHM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000901842259 980561665 /nfs/dbraw/zinc/56/16/65/980561665.db2.gz IPSLGAMIMJXPLD-KKSFZXQISA-N -1 3 394.450 3.459 20 0 GGADHM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NCc1nccn1CC(F)(F)F ZINC000901843318 980564877 /nfs/dbraw/zinc/56/48/77/980564877.db2.gz OPWAOHAGFRKNLP-GOEBONIOSA-N -1 3 381.398 3.498 20 0 GGADHM COc1ccc(-c2nc(CN[C@@H](C[C@@H]3CCCOC3)C(=O)[O-])cs2)cc1 ZINC000901928779 980633938 /nfs/dbraw/zinc/63/39/38/980633938.db2.gz NPWYGMZJDKFEKX-GUYCJALGSA-N -1 3 376.478 3.178 20 0 GGADHM C[C@@](CC(=O)[O-])(NCc1ncc(Br)cc1Br)C1CC1 ZINC000901949423 980645239 /nfs/dbraw/zinc/64/52/39/980645239.db2.gz FJFVEFQAWHKCES-ZDUSSCGKSA-N -1 3 392.091 3.340 20 0 GGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cccc3n[nH]cc31)CC2 ZINC000902001889 980679866 /nfs/dbraw/zinc/67/98/66/980679866.db2.gz WMWYRFCTLSHKDR-GOSISDBHSA-N -1 3 381.432 3.154 20 0 GGADHM CO[C@H]1CCN(Cc2ccnc3c(Br)cccc23)[C@@H](C(=O)[O-])C1 ZINC000902029610 980699492 /nfs/dbraw/zinc/69/94/92/980699492.db2.gz MOGILAQYUAWZDF-SWLSCSKDSA-N -1 3 379.254 3.061 20 0 GGADHM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000902138018 980752982 /nfs/dbraw/zinc/75/29/82/980752982.db2.gz GDXPNCQNIRVUDK-PTRXPTGYSA-N -1 3 390.793 3.381 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CNCCOc1cccc(Cl)c1Cl ZINC000902171096 980766824 /nfs/dbraw/zinc/76/68/24/980766824.db2.gz HMQFSSWGULFKIY-UHFFFAOYSA-N -1 3 386.279 3.450 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)Cc1cccc(C(=O)[O-])n1 ZINC000902320863 980830805 /nfs/dbraw/zinc/83/08/05/980830805.db2.gz GLVCMGKTBVNTBW-UHFFFAOYSA-N -1 3 379.254 3.443 20 0 GGADHM CCC1(CC)[C@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1OC ZINC001595372997 980868319 /nfs/dbraw/zinc/86/83/19/980868319.db2.gz AOLGXPDRVGCEDH-HUUCEWRRSA-N -1 3 394.537 3.447 20 0 GGADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000902396432 980869566 /nfs/dbraw/zinc/86/95/66/980869566.db2.gz PFADAAQDUFJPDH-UNEWFSDZSA-N -1 3 387.505 3.052 20 0 GGADHM Cc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc(C)c1OCC(=O)[O-] ZINC000902426386 980880666 /nfs/dbraw/zinc/88/06/66/980880666.db2.gz YKEWLUYLIUUATG-HAWMADMCSA-N -1 3 375.490 3.355 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001595374120 980881041 /nfs/dbraw/zinc/88/10/41/980881041.db2.gz UVMYWUGMXIAUHC-UONOGXRCSA-N -1 3 380.510 3.057 20 0 GGADHM CCC1(CC)[C@@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C[C@@H]1OC ZINC001595374118 980881065 /nfs/dbraw/zinc/88/10/65/980881065.db2.gz UVMYWUGMXIAUHC-KBPBESRZSA-N -1 3 380.510 3.057 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000902456152 980895807 /nfs/dbraw/zinc/89/58/07/980895807.db2.gz OAEHCYQYORGHGD-WWMYMODYSA-N -1 3 375.513 3.144 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000902534865 980926339 /nfs/dbraw/zinc/92/63/39/980926339.db2.gz GLMQRZDKYVQWCS-ACRUOGEOSA-N -1 3 383.492 3.469 20 0 GGADHM CC[C@]1(O)CCCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001595392205 980950856 /nfs/dbraw/zinc/95/08/56/980950856.db2.gz ASCSWRYCAHXYFD-NRFANRHFSA-N -1 3 389.448 3.302 20 0 GGADHM CN(CCc1ccc2c(c1)OCO2)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000903625946 981002031 /nfs/dbraw/zinc/00/20/31/981002031.db2.gz VQWRAFNDIWBGSQ-QGZVFWFLSA-N -1 3 392.249 3.478 20 0 GGADHM Cn1ccc([C@H]2CCCN([C@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631363 981008248 /nfs/dbraw/zinc/00/82/48/981008248.db2.gz RDOSFMFIBIXXFF-LRDDRELGSA-N -1 3 378.270 3.188 20 0 GGADHM O=C([O-])[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)[C@H]([C@H]2CCCO2)C1 ZINC000903942346 981065415 /nfs/dbraw/zinc/06/54/15/981065415.db2.gz WOFSKSPSNKCQNI-PWBULWKKSA-N -1 3 388.291 3.371 20 0 GGADHM O=C([O-])[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942344 981065673 /nfs/dbraw/zinc/06/56/73/981065673.db2.gz WOFSKSPSNKCQNI-JKEMJCCQSA-N -1 3 388.291 3.371 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CN[C@@H](C(=O)[O-])c1cc(F)ccc1F)CC(F)F ZINC000904000434 981079409 /nfs/dbraw/zinc/07/94/09/981079409.db2.gz RESBICKMXFTIFC-IINYFYTJSA-N -1 3 394.365 3.229 20 0 GGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1cn(-c2ccccc2Br)nn1 ZINC000904002130 981080187 /nfs/dbraw/zinc/08/01/87/981080187.db2.gz OFALBDPEKHSUHM-CQSZACIVSA-N -1 3 381.274 3.009 20 0 GGADHM CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595444070 981085313 /nfs/dbraw/zinc/08/53/13/981085313.db2.gz IGHQDMCWWSXUAE-QWHCGFSZSA-N -1 3 396.509 3.380 20 0 GGADHM CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595444071 981085613 /nfs/dbraw/zinc/08/56/13/981085613.db2.gz IGHQDMCWWSXUAE-STQMWFEESA-N -1 3 396.509 3.380 20 0 GGADHM CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444680 981090246 /nfs/dbraw/zinc/09/02/46/981090246.db2.gz UIRULXHWENNLAL-QWHCGFSZSA-N -1 3 396.509 3.380 20 0 GGADHM CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595445257 981091985 /nfs/dbraw/zinc/09/19/85/981091985.db2.gz XVMKKAGAVMGZHF-CXAGYDPISA-N -1 3 376.453 3.011 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775259 981149194 /nfs/dbraw/zinc/14/91/94/981149194.db2.gz LNJSCGPPKMDOQH-GXTWGEPZSA-N -1 3 395.381 3.337 20 0 GGADHM CC(C)(CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC000907557240 981188842 /nfs/dbraw/zinc/18/88/42/981188842.db2.gz CLKUZGSWTBJQQI-RDPSFJRHSA-N -1 3 392.499 3.198 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3c3ccccc3)cc2)CC1 ZINC000907791031 981220335 /nfs/dbraw/zinc/22/03/35/981220335.db2.gz ULDSJCGUNQAFMG-REWPJTCUSA-N -1 3 393.487 3.026 20 0 GGADHM CCc1ccc([C@H](CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)N(C)C)cc1 ZINC000907789695 981220388 /nfs/dbraw/zinc/22/03/88/981220388.db2.gz HXVJKBFGCDFFAB-QTEQDKRBSA-N -1 3 380.488 3.226 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC000907798703 981222160 /nfs/dbraw/zinc/22/21/60/981222160.db2.gz IKEXYMLKGULDJY-URXFXBBRSA-N -1 3 392.499 3.288 20 0 GGADHM O=C([O-])[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000907801363 981223622 /nfs/dbraw/zinc/22/36/22/981223622.db2.gz XXEFAAKMQZFCKU-ZFGGDYGUSA-N -1 3 392.499 3.416 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC000907805021 981224667 /nfs/dbraw/zinc/22/46/67/981224667.db2.gz DEGKUMFOAKDJMI-WOSKWAQLSA-N -1 3 378.472 3.197 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC000907805020 981224961 /nfs/dbraw/zinc/22/49/61/981224961.db2.gz DEGKUMFOAKDJMI-LLPLAXKASA-N -1 3 378.472 3.197 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3c3ccccc3)c2)CC1 ZINC000907843393 981232477 /nfs/dbraw/zinc/23/24/77/981232477.db2.gz YEBKKUUKWDPOMV-REWPJTCUSA-N -1 3 393.487 3.026 20 0 GGADHM CC[C@@H]1CN(Cn2nc(C(=O)[O-])c(Cl)c2C)CCN1Cc1ccccc1 ZINC001595490835 981243105 /nfs/dbraw/zinc/24/31/05/981243105.db2.gz GDBRBRIVTUAKAP-MRXNPFEDSA-N -1 3 376.888 3.097 20 0 GGADHM CC[C@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@@H]1O ZINC001595490929 981243853 /nfs/dbraw/zinc/24/38/53/981243853.db2.gz IMWNXAGVFYQCIZ-BONVTDFDSA-N -1 3 384.263 3.080 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)NCc3cc(C(=O)[O-])c4n3CCCC4)ccc2NC1=O ZINC001595499504 981264773 /nfs/dbraw/zinc/26/47/73/981264773.db2.gz KIWNRKUAGJVKPL-YJYMSZOUSA-N -1 3 397.475 3.483 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000908229684 981285071 /nfs/dbraw/zinc/28/50/71/981285071.db2.gz RQQZCIYEKOTWHJ-MRXNPFEDSA-N -1 3 380.444 3.310 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000908241435 981287118 /nfs/dbraw/zinc/28/71/18/981287118.db2.gz RQQZCIYEKOTWHJ-INIZCTEOSA-N -1 3 380.444 3.310 20 0 GGADHM COc1c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cccc1C(=O)[O-] ZINC000908502130 981319350 /nfs/dbraw/zinc/31/93/50/981319350.db2.gz UXZSFTYWLZHYKD-UHFFFAOYSA-N -1 3 397.475 3.176 20 0 GGADHM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000908593171 981325588 /nfs/dbraw/zinc/32/55/88/981325588.db2.gz BHXNZURSQGYKKJ-HXUWFJFHSA-N -1 3 382.460 3.237 20 0 GGADHM CC[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)N1CCc2ccccc2C1 ZINC000908721458 981348110 /nfs/dbraw/zinc/34/81/10/981348110.db2.gz XPYMRPWCTVLYHS-BVVFMGSASA-N -1 3 384.520 3.365 20 0 GGADHM CCCC(=O)NC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595529377 981362902 /nfs/dbraw/zinc/36/29/02/981362902.db2.gz OXJIONSEZIMILX-GUYCJALGSA-N -1 3 386.414 3.459 20 0 GGADHM CCCC(=O)NC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595529378 981362932 /nfs/dbraw/zinc/36/29/32/981362932.db2.gz OXJIONSEZIMILX-SUMWQHHRSA-N -1 3 386.414 3.459 20 0 GGADHM Cc1c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cccc1C(=O)[O-] ZINC000908834483 981371671 /nfs/dbraw/zinc/37/16/71/981371671.db2.gz MNWKDZZCQQDXAM-UHFFFAOYSA-N -1 3 381.476 3.476 20 0 GGADHM CC(C)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857773 981378858 /nfs/dbraw/zinc/37/88/58/981378858.db2.gz UDYLTZXKESECKV-CABCVRRESA-N -1 3 388.386 3.090 20 0 GGADHM O=C([O-])COc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000909126113 981421933 /nfs/dbraw/zinc/42/19/33/981421933.db2.gz JUOBZJGXRXJGAB-INIZCTEOSA-N -1 3 386.423 3.140 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909137291 981426002 /nfs/dbraw/zinc/42/60/02/981426002.db2.gz PZVKINOKWHRHGU-LJQANCHMSA-N -1 3 384.451 3.395 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000909287319 981459709 /nfs/dbraw/zinc/45/97/09/981459709.db2.gz WVKQSXLGMDKVIP-UHFFFAOYSA-N -1 3 396.487 3.160 20 0 GGADHM C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000909538284 981536444 /nfs/dbraw/zinc/53/64/44/981536444.db2.gz QOCDDCQQQIIEJA-LLBVYWAGSA-N -1 3 386.536 3.479 20 0 GGADHM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001594740654 981604452 /nfs/dbraw/zinc/60/44/52/981604452.db2.gz PVADHKFPCRLANH-SFTDATJTSA-N -1 3 395.503 3.186 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC000909791969 981629024 /nfs/dbraw/zinc/62/90/24/981629024.db2.gz XBCAWIHKYRZYMU-WIYYLYMNSA-N -1 3 380.488 3.441 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000909807459 981634990 /nfs/dbraw/zinc/63/49/90/981634990.db2.gz IETNLXIIURIELD-ZIAGYGMSSA-N -1 3 397.313 3.125 20 0 GGADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000909839688 981661302 /nfs/dbraw/zinc/66/13/02/981661302.db2.gz JBCKCFNHRPLLGH-QGZVFWFLSA-N -1 3 381.476 3.026 20 0 GGADHM CC[C@](CNC(=O)c1cccc(CN2CCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000909847034 981673477 /nfs/dbraw/zinc/67/34/77/981673477.db2.gz WWRPBRHJBJUCSJ-HSZRJFAPSA-N -1 3 380.488 3.445 20 0 GGADHM CCC[C@@H]1[C@H](C)CCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595619983 981684090 /nfs/dbraw/zinc/68/40/90/981684090.db2.gz SSNUZUZEOXFYQO-CXAGYDPISA-N -1 3 376.453 3.011 20 0 GGADHM CCC[C@H]1CCc2nc(NC(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)sc2C1 ZINC001595623536 981721998 /nfs/dbraw/zinc/72/19/98/981721998.db2.gz RXLZKVMOUQYISZ-ZDUSSCGKSA-N -1 3 394.541 3.061 20 0 GGADHM CCC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CCN1CCOC ZINC001595625308 981746292 /nfs/dbraw/zinc/74/62/92/981746292.db2.gz RYEXWYXJZXMGMP-MRXNPFEDSA-N -1 3 388.430 3.336 20 0 GGADHM O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000910073179 981753542 /nfs/dbraw/zinc/75/35/42/981753542.db2.gz XVNCQMHYDNGUNT-SFHVURJKSA-N -1 3 396.462 3.321 20 0 GGADHM CN(CC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1)CC(C)(C)C ZINC000910161939 981769480 /nfs/dbraw/zinc/76/94/80/981769480.db2.gz BANSWHHPONXTPG-UHFFFAOYSA-N -1 3 389.315 3.029 20 0 GGADHM C[C@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000910193699 981778748 /nfs/dbraw/zinc/77/87/48/981778748.db2.gz NOORNWIEKCWTFF-GOSISDBHSA-N -1 3 394.515 3.273 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000910471205 981950425 /nfs/dbraw/zinc/95/04/25/981950425.db2.gz AGBIXUWHHUTIPD-HBGVWJBISA-N -1 3 396.462 3.467 20 0 GGADHM CCCC[C@@H](NCc1nc(Br)c(Br)n1CC)C(=O)[O-] ZINC001595640575 981964129 /nfs/dbraw/zinc/96/41/29/981964129.db2.gz JVXRZBBFCFXNOG-MRVPVSSYSA-N -1 3 397.111 3.161 20 0 GGADHM O=C([O-])C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567439 981993785 /nfs/dbraw/zinc/99/37/85/981993785.db2.gz LRQWMBOHPZNDRJ-HKUYNNGSSA-N -1 3 376.472 3.187 20 0 GGADHM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567443 981993874 /nfs/dbraw/zinc/99/38/74/981993874.db2.gz LRQWMBOHPZNDRJ-PKOBYXMFSA-N -1 3 376.472 3.187 20 0 GGADHM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000910568824 981996054 /nfs/dbraw/zinc/99/60/54/981996054.db2.gz UGDVAMBHDXKZPC-UTKZUKDTSA-N -1 3 386.536 3.479 20 0 GGADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000910620607 982026064 /nfs/dbraw/zinc/02/60/64/982026064.db2.gz DITAVTPPMNXBEF-KRWDZBQOSA-N -1 3 383.448 3.029 20 0 GGADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000910620608 982026674 /nfs/dbraw/zinc/02/66/74/982026674.db2.gz DITAVTPPMNXBEF-QGZVFWFLSA-N -1 3 383.448 3.029 20 0 GGADHM O=C([O-])c1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)ccc1Br ZINC000910704458 982074480 /nfs/dbraw/zinc/07/44/80/982074480.db2.gz QXZBGRNHXBYUFP-HNNXBMFYSA-N -1 3 381.270 3.493 20 0 GGADHM CN(CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1)CC(C)(C)C ZINC000910711538 982077582 /nfs/dbraw/zinc/07/75/82/982077582.db2.gz GOZQPEPCZDTFCP-OAHLLOKOSA-N -1 3 385.302 3.011 20 0 GGADHM CC(C)(CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000910831464 982143501 /nfs/dbraw/zinc/14/35/01/982143501.db2.gz VZISLLCVEMMUMX-SFHVURJKSA-N -1 3 386.414 3.058 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000910923747 982166033 /nfs/dbraw/zinc/16/60/33/982166033.db2.gz XXEDDJRCUSWDGG-FQEVSTJZSA-N -1 3 384.451 3.237 20 0 GGADHM O=C([O-])c1cnc([C@@H]2CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)s1 ZINC000911047186 982212352 /nfs/dbraw/zinc/21/23/52/982212352.db2.gz RQBBGKLOQYYGOA-QGZVFWFLSA-N -1 3 399.516 3.457 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3cc(C)cc(C(=O)[O-])c3)CC2)c1 ZINC000911070217 982225186 /nfs/dbraw/zinc/22/51/86/982225186.db2.gz CYNZLAUONLULPX-UHFFFAOYSA-N -1 3 381.476 3.152 20 0 GGADHM CCCCCC[C@](O)(CN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)[O-] ZINC001595696521 982229934 /nfs/dbraw/zinc/22/99/34/982229934.db2.gz ANJGFUSMIXVMNP-FTRWYGJKSA-N -1 3 386.533 3.102 20 0 GGADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881074 982234131 /nfs/dbraw/zinc/23/41/31/982234131.db2.gz MFNSZWXDNFHTHX-JQWIXIFHSA-N -1 3 396.509 3.379 20 0 GGADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881075 982234164 /nfs/dbraw/zinc/23/41/64/982234164.db2.gz MFNSZWXDNFHTHX-PWSUYJOCSA-N -1 3 396.509 3.379 20 0 GGADHM CCN(CC)[C@H](CNC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC000911131970 982252373 /nfs/dbraw/zinc/25/23/73/982252373.db2.gz DACOTRYREOWTGR-ZBTAVZRMSA-N -1 3 386.448 3.199 20 0 GGADHM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000911165423 982264331 /nfs/dbraw/zinc/26/43/31/982264331.db2.gz JSDVERZSYIBOKA-OAQYLSRUSA-N -1 3 380.488 3.440 20 0 GGADHM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000911167425 982265240 /nfs/dbraw/zinc/26/52/40/982265240.db2.gz SPLPWSYERLTMHA-KRWDZBQOSA-N -1 3 391.471 3.142 20 0 GGADHM CCN1CCN(Cc2ccc(NC(=O)CCc3ccccc3C(=O)[O-])cc2)CC1 ZINC000911188141 982273262 /nfs/dbraw/zinc/27/32/62/982273262.db2.gz OLXMTLZDJSSJSD-UHFFFAOYSA-N -1 3 395.503 3.094 20 0 GGADHM CCCN(C(=O)CCSCC(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911227745 982300515 /nfs/dbraw/zinc/30/05/15/982300515.db2.gz JKCBKEAGOOSEKG-GOSISDBHSA-N -1 3 378.538 3.098 20 0 GGADHM CN1C[C@@H]2CCN(C(=O)c3ccccc3SCc3occc3C(=O)[O-])[C@@H]2C1 ZINC000911231811 982303832 /nfs/dbraw/zinc/30/38/32/982303832.db2.gz ZCKCCTCCNKQTHG-XJKSGUPXSA-N -1 3 386.473 3.046 20 0 GGADHM CN1C[C@H]2CCN(C(=O)c3ccccc3SCc3occc3C(=O)[O-])[C@H]2C1 ZINC000911231809 982304147 /nfs/dbraw/zinc/30/41/47/982304147.db2.gz ZCKCCTCCNKQTHG-CJNGLKHVSA-N -1 3 386.473 3.046 20 0 GGADHM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000911248215 982311729 /nfs/dbraw/zinc/31/17/29/982311729.db2.gz PNEXLDOPOFTWSN-GOSISDBHSA-N -1 3 384.476 3.418 20 0 GGADHM CN(C)CCN(CC1CCCCC1)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000911263822 982321993 /nfs/dbraw/zinc/32/19/93/982321993.db2.gz ZPQITDUCXXUAET-UHFFFAOYSA-N -1 3 385.508 3.379 20 0 GGADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccoc1CC(=O)[O-] ZINC000911300136 982331027 /nfs/dbraw/zinc/33/10/27/982331027.db2.gz GEZZGSJFLNZCLD-UHFFFAOYSA-N -1 3 398.381 3.130 20 0 GGADHM O=C([O-])/C=C\c1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)o1 ZINC000911322424 982345695 /nfs/dbraw/zinc/34/56/95/982345695.db2.gz KOPWJPGBEQOGIY-VURMDHGXSA-N -1 3 386.473 3.221 20 0 GGADHM O=C([O-])c1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(F)c1 ZINC000911326261 982350536 /nfs/dbraw/zinc/35/05/36/982350536.db2.gz AWRXLFMTOAJPGT-UHFFFAOYSA-N -1 3 384.451 3.305 20 0 GGADHM O=C([O-])Cc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000911328301 982352881 /nfs/dbraw/zinc/35/28/81/982352881.db2.gz RXVZOKYPFRNEOU-UHFFFAOYSA-N -1 3 380.488 3.094 20 0 GGADHM CCCCN(C)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595737342 982393833 /nfs/dbraw/zinc/39/38/33/982393833.db2.gz XEDQLDWLKPIPFN-SNVBAGLBSA-N -1 3 397.324 3.090 20 0 GGADHM CCCCN1CCC(NS(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])CC1 ZINC001595749611 982426820 /nfs/dbraw/zinc/42/68/20/982426820.db2.gz PPOALXZZXZHSBR-UHFFFAOYSA-N -1 3 390.505 3.081 20 0 GGADHM CCCCNC(=O)C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001595755723 982448174 /nfs/dbraw/zinc/44/81/74/982448174.db2.gz CNFWDCOWXUFREL-INIZCTEOSA-N -1 3 386.414 3.459 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000911532433 982478533 /nfs/dbraw/zinc/47/85/33/982478533.db2.gz AOORULGRJZVITI-UHFFFAOYSA-N -1 3 390.867 3.251 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000911535157 982479741 /nfs/dbraw/zinc/47/97/41/982479741.db2.gz VNVWTKBGHBPFPJ-GOSISDBHSA-N -1 3 380.488 3.298 20 0 GGADHM CCCCOc1ccc(-c2nnc(CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)o2)cc1 ZINC001595774181 982528818 /nfs/dbraw/zinc/52/88/18/982528818.db2.gz KNUOHBWMTODKSY-ZWKOTPCHSA-N -1 3 385.464 3.458 20 0 GGADHM CS[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@@H]1N(C)C ZINC000911602664 982535273 /nfs/dbraw/zinc/53/52/73/982535273.db2.gz KICJCLASGVQBTG-RBUKOAKNSA-N -1 3 384.501 3.169 20 0 GGADHM CCCN(C(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595820147 982684842 /nfs/dbraw/zinc/68/48/42/982684842.db2.gz CKIRTQTXLYGYFP-MHJFOBGBSA-N -1 3 387.524 3.326 20 0 GGADHM CCCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)[C@@H]1CCN(C)C1 ZINC001595823311 982697704 /nfs/dbraw/zinc/69/77/04/982697704.db2.gz TYEFYLQSVASKEK-OAHLLOKOSA-N -1 3 385.464 3.251 20 0 GGADHM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000923096793 982721105 /nfs/dbraw/zinc/72/11/05/982721105.db2.gz MLAFLHNFMAKBSJ-UHFFFAOYSA-N -1 3 388.489 3.211 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836652 982743637 /nfs/dbraw/zinc/74/36/37/982743637.db2.gz HCYUFVXXKWMDCE-KBRIMQKVSA-N -1 3 381.904 3.085 20 0 GGADHM CCCN(C)[C@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001595837062 982746407 /nfs/dbraw/zinc/74/64/07/982746407.db2.gz SJZOSHKTKHCNSD-GOSISDBHSA-N -1 3 389.883 3.175 20 0 GGADHM CC[C@H](C)N(CCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594983839 982790033 /nfs/dbraw/zinc/79/00/33/982790033.db2.gz QDBCGLTUOVFEID-NSHDSACASA-N -1 3 386.279 3.470 20 0 GGADHM CC[C@@H](C)N(CCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594983838 982790251 /nfs/dbraw/zinc/79/02/51/982790251.db2.gz QDBCGLTUOVFEID-LLVKDONJSA-N -1 3 386.279 3.470 20 0 GGADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001595862783 982800950 /nfs/dbraw/zinc/80/09/50/982800950.db2.gz LJFLYWQICCIKBH-CYBMUJFWSA-N -1 3 390.402 3.299 20 0 GGADHM O=C([O-])[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCCCC1 ZINC000923172868 982820749 /nfs/dbraw/zinc/82/07/49/982820749.db2.gz DNHPSTLBYHTEMA-VQTJNVASSA-N -1 3 387.524 3.081 20 0 GGADHM CC[C@@H](C)N1CCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)CC1 ZINC001594987816 982827056 /nfs/dbraw/zinc/82/70/56/982827056.db2.gz SNSUGFPIXFQXSG-GFCCVEGCSA-N -1 3 385.302 3.072 20 0 GGADHM C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923532404 982865681 /nfs/dbraw/zinc/86/56/81/982865681.db2.gz RTNQOZHPQAKUDQ-XOKHGSTOSA-N -1 3 391.537 3.240 20 0 GGADHM CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccco1 ZINC001594994672 982881419 /nfs/dbraw/zinc/88/14/19/982881419.db2.gz ORUXFHJVDJRLKC-MLGOLLRUSA-N -1 3 377.416 3.046 20 0 GGADHM CCN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596148837 983505592 /nfs/dbraw/zinc/50/55/92/983505592.db2.gz DISHGXBHYMNQFU-IBGZPJMESA-N -1 3 387.524 3.328 20 0 GGADHM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596228080 983619080 /nfs/dbraw/zinc/61/90/80/983619080.db2.gz CWGYDWUQXGODSW-GOSISDBHSA-N -1 3 383.492 3.109 20 0 GGADHM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596228081 983619150 /nfs/dbraw/zinc/61/91/50/983619150.db2.gz CWGYDWUQXGODSW-SFHVURJKSA-N -1 3 383.492 3.109 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001596235223 983628591 /nfs/dbraw/zinc/62/85/91/983628591.db2.gz FTGCZSQNWINBEG-CQSZACIVSA-N -1 3 390.377 3.147 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001596236457 983631225 /nfs/dbraw/zinc/63/12/25/983631225.db2.gz WTIYHWRUAYFNGF-ZDUSSCGKSA-N -1 3 390.377 3.147 20 0 GGADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccsc1 ZINC001596254089 983660626 /nfs/dbraw/zinc/66/06/26/983660626.db2.gz AJZSFNOGNDSAEZ-QGZVFWFLSA-N -1 3 391.493 3.416 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc(OC)c1 ZINC001596254177 983661118 /nfs/dbraw/zinc/66/11/18/983661118.db2.gz CURUEPLAPMXTAT-KRWDZBQOSA-N -1 3 387.480 3.151 20 0 GGADHM CCN(CC)[C@H](CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc(OC)c1 ZINC001596254178 983661254 /nfs/dbraw/zinc/66/12/54/983661254.db2.gz CURUEPLAPMXTAT-QGZVFWFLSA-N -1 3 387.480 3.151 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccsc1 ZINC001596254496 983663506 /nfs/dbraw/zinc/66/35/06/983663506.db2.gz QFDRXLXDNQFLHE-INIZCTEOSA-N -1 3 379.482 3.230 20 0 GGADHM CCN(CC)[C@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccsc1 ZINC001596254683 983664538 /nfs/dbraw/zinc/66/45/38/983664538.db2.gz XKAIWGNRSIKLRK-MRXNPFEDSA-N -1 3 381.542 3.465 20 0 GGADHM CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC001596278301 983699515 /nfs/dbraw/zinc/69/95/15/983699515.db2.gz TWQIVLPTJSSMIP-UHFFFAOYSA-N -1 3 376.478 3.336 20 0 GGADHM CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC001596278374 983700056 /nfs/dbraw/zinc/70/00/56/983700056.db2.gz XCBRYLQMKHAJFY-RAXLEYEMSA-N -1 3 388.489 3.427 20 0 GGADHM CCN(CCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)CC(F)(F)F ZINC001596326963 983761273 /nfs/dbraw/zinc/76/12/73/983761273.db2.gz NWLOEXHWOJKAOX-OAHLLOKOSA-N -1 3 387.446 3.170 20 0 GGADHM CCN1C[C@H](CN(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)Oc2ccccc21 ZINC001596396053 983939202 /nfs/dbraw/zinc/93/92/02/983939202.db2.gz MUSXGILXNCBRGX-APWZRJJASA-N -1 3 384.476 3.258 20 0 GGADHM CCN1CC[C@H](NCc2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410628 984003083 /nfs/dbraw/zinc/00/30/83/984003083.db2.gz RPNCHPQTNXDDKT-ZWKOTPCHSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CC[C@H](NCc2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410930 984004606 /nfs/dbraw/zinc/00/46/06/984004606.db2.gz WTQLFAYFMLHEHK-WMZOPIPTSA-N -1 3 377.847 3.497 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)Nc3cnc(C)c(C(=O)[O-])c3)c(C)c2)CC1 ZINC001596441839 984131037 /nfs/dbraw/zinc/13/10/37/984131037.db2.gz CJVYHLBZZYQHMP-UHFFFAOYSA-N -1 3 397.479 3.183 20 0 GGADHM CCOC(=O)[C@@](C)(CNCc1ccccc1O[C@H](C)C(=O)[O-])c1ccccc1 ZINC001596515847 984295015 /nfs/dbraw/zinc/29/50/15/984295015.db2.gz JJWLUPBZEGJGQM-ZHRRBRCNSA-N -1 3 385.460 3.149 20 0 GGADHM CCOC(=O)[C@](C)(CNCc1ccccc1O[C@H](C)C(=O)[O-])c1ccccc1 ZINC001596515845 984295131 /nfs/dbraw/zinc/29/51/31/984295131.db2.gz JJWLUPBZEGJGQM-OPAMFIHVSA-N -1 3 385.460 3.149 20 0 GGADHM CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC001596551156 984412495 /nfs/dbraw/zinc/41/24/95/984412495.db2.gz FLJCJDUSWIGCBR-RHSMWYFYSA-N -1 3 384.270 3.359 20 0 GGADHM CCOC(=O)CCCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001596603995 984566892 /nfs/dbraw/zinc/56/68/92/984566892.db2.gz VJABRPBJFDCVPX-INIZCTEOSA-N -1 3 398.297 3.384 20 0 GGADHM CCOC(=O)N1CCC([C@@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001596644116 984648011 /nfs/dbraw/zinc/64/80/11/984648011.db2.gz FQEATAORYGLMKW-BDJLRTHQSA-N -1 3 386.851 3.451 20 0 GGADHM C/C(=C/CN(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588958648 984714649 /nfs/dbraw/zinc/71/46/49/984714649.db2.gz PFOCJNOLCZCLMH-PXNMLYILSA-N -1 3 389.496 3.314 20 0 GGADHM CCOC(=O)c1[nH]c2ccc(C)cc2c1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001596690971 984799381 /nfs/dbraw/zinc/79/93/81/984799381.db2.gz AWSHNCHROJKUQF-HNNXBMFYSA-N -1 3 388.464 3.109 20 0 GGADHM CCOC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)[nH]c1C ZINC001596706030 984906005 /nfs/dbraw/zinc/90/60/05/984906005.db2.gz FBEJQCRCCMXPGU-INIZCTEOSA-N -1 3 380.828 3.077 20 0 GGADHM CCOC(=O)c1cnn(C2CCN([C@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)c1C ZINC001596745081 985063453 /nfs/dbraw/zinc/06/34/53/985063453.db2.gz YQXIJSAVTUQPMQ-CQSZACIVSA-N -1 3 389.452 3.366 20 0 GGADHM CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@H](CC1CCCC1)C(=O)[O-] ZINC001596754894 985119145 /nfs/dbraw/zinc/11/91/45/985119145.db2.gz XUGIQEWBCDKTEL-KRWDZBQOSA-N -1 3 399.491 3.420 20 0 GGADHM C[C@H]1CN(CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@]1(C)C(=O)[O-] ZINC001599927239 985223337 /nfs/dbraw/zinc/22/33/37/985223337.db2.gz FFYDAAUKIMRLGC-BTYIYWSLSA-N -1 3 399.516 3.355 20 0 GGADHM C[C@H]1CN(CC(=O)N2c3ccccc3CCc3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001599927521 985230432 /nfs/dbraw/zinc/23/04/32/985230432.db2.gz AIXXQORENVUXBD-HJPURHCSSA-N -1 3 378.472 3.493 20 0 GGADHM CC(=O)N1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC12CCCCC2 ZINC001589085597 985259106 /nfs/dbraw/zinc/25/91/06/985259106.db2.gz YIGQTOLKAUNEHF-UHFFFAOYSA-N -1 3 381.476 3.300 20 0 GGADHM CC(=O)NC1CCC(N(C)Cc2c(Br)cccc2C(=O)[O-])CC1 ZINC001589117748 985372109 /nfs/dbraw/zinc/37/21/09/985372109.db2.gz DQEFWTFWVFEGRR-UHFFFAOYSA-N -1 3 383.286 3.026 20 0 GGADHM C[C@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001599937400 985412705 /nfs/dbraw/zinc/41/27/05/985412705.db2.gz OPCCJONVDLGLGD-ZGMNHVEMSA-N -1 3 385.382 3.413 20 0 GGADHM CCO[C@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCCC2 ZINC001596833883 985471826 /nfs/dbraw/zinc/47/18/26/985471826.db2.gz RNGKICJYKOFISV-KBPBESRZSA-N -1 3 380.510 3.329 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)[C@@H]1n1cccn1 ZINC001596834233 985476322 /nfs/dbraw/zinc/47/63/22/985476322.db2.gz WTOHNJNGLYJJRY-FZKCQIBNSA-N -1 3 383.370 3.036 20 0 GGADHM CCO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])c3n2CCCC3)[C@@H]1Oc1ccccc1 ZINC001596836467 985483137 /nfs/dbraw/zinc/48/31/37/985483137.db2.gz CYPJATHEDHDTIF-NRSPTQNISA-N -1 3 384.476 3.237 20 0 GGADHM CCO[C@@H]1C[C@H](NCc2ccccc2O[C@H](C)C(=O)[O-])[C@H]1Oc1ccccc1 ZINC001596837001 985489047 /nfs/dbraw/zinc/48/90/47/985489047.db2.gz HKCKBJPBFIEHMW-NSGGIEJNSA-N -1 3 385.460 3.253 20 0 GGADHM CCO[C@@H]1C[C@](NCc2cc(OC)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596837113 985490973 /nfs/dbraw/zinc/49/09/73/985490973.db2.gz HHOFHYXUNFDYHM-PBHICJAKSA-N -1 3 386.286 3.206 20 0 GGADHM CCO[C@@H]1C[C@@](NCc2nc3cc(Br)ccc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838496 985507100 /nfs/dbraw/zinc/50/71/00/985507100.db2.gz SRGGSISYZZKDOT-CXAGYDPISA-N -1 3 396.285 3.073 20 0 GGADHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166511 985514442 /nfs/dbraw/zinc/51/44/42/985514442.db2.gz JTIOZTBDAVOGBW-YVEFUNNKSA-N -1 3 376.844 3.027 20 0 GGADHM Cc1[nH]c(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599949641 985586471 /nfs/dbraw/zinc/58/64/71/985586471.db2.gz MHAOWSUBPDNJDA-SFHVURJKSA-N -1 3 383.492 3.455 20 0 GGADHM CC(=O)Nc1cccc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001589210392 985693451 /nfs/dbraw/zinc/69/34/51/985693451.db2.gz KOFPKEGPMNBOFV-IBGZPJMESA-N -1 3 383.448 3.025 20 0 GGADHM Cc1[nH]c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)cc1C(=O)[O-] ZINC001599961840 985797175 /nfs/dbraw/zinc/79/71/75/985797175.db2.gz JQJJJPCVSGZDLP-YDHLFZDLSA-N -1 3 379.501 3.393 20 0 GGADHM CCOC[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C(C)C ZINC001596888849 985798690 /nfs/dbraw/zinc/79/86/90/985798690.db2.gz AOOFZEIEPGTBOE-OCCSQVGLSA-N -1 3 382.526 3.160 20 0 GGADHM CCOCCCN(Cc1c(C(F)(F)F)nc2n1CCCC2)C[C@@H](C)C(=O)[O-] ZINC001596914669 985931790 /nfs/dbraw/zinc/93/17/90/985931790.db2.gz FKYAHDWXACVLKW-CYBMUJFWSA-N -1 3 391.434 3.188 20 0 GGADHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cccc(Cl)c1Br ZINC001594525949 986043034 /nfs/dbraw/zinc/04/30/34/986043034.db2.gz PECSODLJCYSQOM-NSHDSACASA-N -1 3 375.694 3.083 20 0 GGADHM CCOCCOC1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001596935145 986044853 /nfs/dbraw/zinc/04/48/53/986044853.db2.gz KPEHPBZFHFKMSJ-INIZCTEOSA-N -1 3 375.387 3.349 20 0 GGADHM C[C@H]1CN(Cc2ccc(CNCc3ccc(C(=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC001594539908 986172680 /nfs/dbraw/zinc/17/26/80/986172680.db2.gz VPIAHVJECMTRJN-HOTGVXAUSA-N -1 3 386.467 3.423 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542714 986188460 /nfs/dbraw/zinc/18/84/60/986188460.db2.gz RYYBGXCFXJWEGY-UZLBHIALSA-N -1 3 381.476 3.047 20 0 GGADHM C[C@@H](Oc1ccccc1CNCc1cccc(CN2CCO[C@@H](C)C2)c1)C(=O)[O-] ZINC001594542953 986191001 /nfs/dbraw/zinc/19/10/01/986191001.db2.gz WNCGGCKRLZAJTE-ZWKOTPCHSA-N -1 3 398.503 3.049 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543827 986195367 /nfs/dbraw/zinc/19/53/67/986195367.db2.gz BQJXAXLODJATCW-SBUREZEXSA-N -1 3 398.478 3.389 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN([C@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543901 986196273 /nfs/dbraw/zinc/19/62/73/986196273.db2.gz CPTRPAKDJYVSJX-FHZYATBESA-N -1 3 398.478 3.317 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001594544496 986199810 /nfs/dbraw/zinc/19/98/10/986199810.db2.gz IHWBKMVDXBLUDR-OAHLLOKOSA-N -1 3 387.505 3.110 20 0 GGADHM C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H](C)CN1C ZINC001594547060 986219377 /nfs/dbraw/zinc/21/93/77/986219377.db2.gz DVIJAOZPBMAZOS-VXGBXAGGSA-N -1 3 397.306 3.402 20 0 GGADHM C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)CN1C ZINC001594547057 986219523 /nfs/dbraw/zinc/21/95/23/986219523.db2.gz DVIJAOZPBMAZOS-NEPJUHHUSA-N -1 3 397.306 3.402 20 0 GGADHM C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H](C)[C@H]1O ZINC001594548622 986240117 /nfs/dbraw/zinc/24/01/17/986240117.db2.gz VJTNCMGWVHUBBQ-FTJFQDGESA-N -1 3 398.290 3.326 20 0 GGADHM C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@@H](C)C1O ZINC001594548624 986240759 /nfs/dbraw/zinc/24/07/59/986240759.db2.gz VJTNCMGWVHUBBQ-GHMZBOCLSA-N -1 3 398.290 3.326 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001589350456 986309365 /nfs/dbraw/zinc/30/93/65/986309365.db2.gz QSFNTRCJIKOTIU-HNNXBMFYSA-N -1 3 383.492 3.059 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001589350750 986313052 /nfs/dbraw/zinc/31/30/52/986313052.db2.gz UERHFHMEHJPDAF-OAHLLOKOSA-N -1 3 383.492 3.059 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589352041 986319805 /nfs/dbraw/zinc/31/98/05/986319805.db2.gz DLYHVEZGVSYGIV-JTSKRJEESA-N -1 3 392.499 3.346 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589352042 986320191 /nfs/dbraw/zinc/32/01/91/986320191.db2.gz DLYHVEZGVSYGIV-VGOFRKELSA-N -1 3 392.499 3.346 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc(-n2ccnc2)cs1 ZINC001594570660 986394089 /nfs/dbraw/zinc/39/40/89/986394089.db2.gz TUAZIWWAAUDQQH-OAHLLOKOSA-N -1 3 382.489 3.343 20 0 GGADHM CCOc1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030402 986444318 /nfs/dbraw/zinc/44/43/18/986444318.db2.gz AFZRUQZUCQZAEJ-RHSMWYFYSA-N -1 3 389.448 3.158 20 0 GGADHM CCOc1cc(CN2CC[C@@H](OC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033142 986460347 /nfs/dbraw/zinc/46/03/47/986460347.db2.gz YHRLXNBLUCYTSP-OAHLLOKOSA-N -1 3 375.421 3.176 20 0 GGADHM C[C@H]1COCCN1C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607222 986575572 /nfs/dbraw/zinc/57/55/72/986575572.db2.gz NPTVOTVCDHLCGV-SJCJKPOMSA-N -1 3 387.307 3.304 20 0 GGADHM CCOc1ccc(C[C@@H](CNCc2nccn2-c2ccccc2)C(=O)[O-])cc1 ZINC001597095414 986690280 /nfs/dbraw/zinc/69/02/80/986690280.db2.gz PDANKKDLTWZKPY-SFHVURJKSA-N -1 3 379.460 3.304 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589431091 986723771 /nfs/dbraw/zinc/72/37/71/986723771.db2.gz DJFKOIMUBSCDEI-ZBFHGGJFSA-N -1 3 384.480 3.227 20 0 GGADHM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNCc1ccc(C(=O)[O-])cc1Br)O2 ZINC001594639887 986782586 /nfs/dbraw/zinc/78/25/86/986782586.db2.gz KRSFFDNYQTWKSV-ABXQLRGKSA-N -1 3 398.297 3.210 20 0 GGADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440394 986784834 /nfs/dbraw/zinc/78/48/34/986784834.db2.gz WEVANQAJTMFSBX-WAIKUNEKSA-N -1 3 396.487 3.249 20 0 GGADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440292 986785385 /nfs/dbraw/zinc/78/53/85/986785385.db2.gz WEVANQAJTMFSBX-MWTRTKDXSA-N -1 3 396.487 3.249 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001589440557 986788316 /nfs/dbraw/zinc/78/83/16/986788316.db2.gz YPUDRLSRVPSAHR-RKVPGOIHSA-N -1 3 399.516 3.496 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CN1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001597173030 987011964 /nfs/dbraw/zinc/01/19/64/987011964.db2.gz MBVQRMYSSLNIIG-RKVPGOIHSA-N -1 3 376.497 3.226 20 0 GGADHM CCOc1cncc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC001597189498 987066032 /nfs/dbraw/zinc/06/60/32/987066032.db2.gz MKDCLAAHPDFCLZ-KRWDZBQOSA-N -1 3 379.254 3.332 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC001589601142 987424906 /nfs/dbraw/zinc/42/49/06/987424906.db2.gz GCRUYPGGBLVAJC-KRWDZBQOSA-N -1 3 379.453 3.041 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001589621464 987503153 /nfs/dbraw/zinc/50/31/53/987503153.db2.gz XQZBYELUPOSWFR-CHWSQXEVSA-N -1 3 385.291 3.104 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Cc2cc3c(ccc4ccccc34)o2)CC1 ZINC001589622738 987506262 /nfs/dbraw/zinc/50/62/62/987506262.db2.gz ISTGAJMXTSSSFU-UHFFFAOYSA-N -1 3 380.444 3.136 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001589622903 987508660 /nfs/dbraw/zinc/50/86/60/987508660.db2.gz DXHTTZOWRIVJJB-NVXWUHKLSA-N -1 3 393.915 3.167 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NCCc2cccc(-c3ccccc3)c2)CC1 ZINC001589623092 987510556 /nfs/dbraw/zinc/51/05/56/987510556.db2.gz GANRZKKVHHRXKO-UHFFFAOYSA-N -1 3 395.503 3.087 20 0 GGADHM CCc1[nH]c(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001597357826 987510689 /nfs/dbraw/zinc/51/06/89/987510689.db2.gz LWYAIEKVWFSRBK-KRWDZBQOSA-N -1 3 383.492 3.320 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC001589623224 987511469 /nfs/dbraw/zinc/51/14/69/987511469.db2.gz UYKAWFKGWGSTNQ-GOSISDBHSA-N -1 3 391.487 3.247 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CC1 ZINC001589623581 987514845 /nfs/dbraw/zinc/51/48/45/987514845.db2.gz MCTBISGVWGYTDW-HSZRJFAPSA-N -1 3 399.535 3.146 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1 ZINC001589628488 987529024 /nfs/dbraw/zinc/52/90/24/987529024.db2.gz JWECVJZRFCYHCJ-UHFFFAOYSA-N -1 3 389.493 3.179 20 0 GGADHM CCc1[nH]c(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001597367341 987542147 /nfs/dbraw/zinc/54/21/47/987542147.db2.gz QZTRXMPMAABBEO-QGZVFWFLSA-N -1 3 383.492 3.150 20 0 GGADHM CCc1[nH]c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001597369101 987550867 /nfs/dbraw/zinc/55/08/67/987550867.db2.gz DGTCRRNGKQWUHG-QGZVFWFLSA-N -1 3 383.492 3.368 20 0 GGADHM CCc1[nH]c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c(C)c1C(=O)[O-] ZINC001597374551 987562431 /nfs/dbraw/zinc/56/24/31/987562431.db2.gz UEGIJHPCDGUFFK-UHFFFAOYSA-N -1 3 399.491 3.040 20 0 GGADHM CCc1[nH]c(CN2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1C(=O)[O-] ZINC001597383120 987581018 /nfs/dbraw/zinc/58/10/18/987581018.db2.gz BHEQJHNQYOTNTR-SBUREZEXSA-N -1 3 397.519 3.141 20 0 GGADHM CCc1[nH]c(CN2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1C(=O)[O-] ZINC001597383116 987581572 /nfs/dbraw/zinc/58/15/72/987581572.db2.gz BHEQJHNQYOTNTR-GAJHUEQPSA-N -1 3 397.519 3.141 20 0 GGADHM CC(C)([C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001589682251 987718576 /nfs/dbraw/zinc/71/85/76/987718576.db2.gz SHWDUQVGLQQUBE-QGZVFWFLSA-N -1 3 391.418 3.337 20 0 GGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1csc(CC(=O)Nc2ccccc2)n1 ZINC001589710150 987831187 /nfs/dbraw/zinc/83/11/87/987831187.db2.gz ICKIEBVYBNWXHA-OAHLLOKOSA-N -1 3 375.494 3.303 20 0 GGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1csc(CC(=O)Nc2ccccc2)n1 ZINC001589710148 987831439 /nfs/dbraw/zinc/83/14/39/987831439.db2.gz ICKIEBVYBNWXHA-HNNXBMFYSA-N -1 3 375.494 3.303 20 0 GGADHM CCc1cc2oc(=O)cc(CN3C[C@@H](OC)C[C@@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489575 988012175 /nfs/dbraw/zinc/01/21/75/988012175.db2.gz LXUUJLSXYIYYIU-DJJJIMSYSA-N -1 3 379.840 3.073 20 0 GGADHM CCc1cc2oc(=O)cc(CN3C[C@H](OC)C[C@@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489577 988012239 /nfs/dbraw/zinc/01/22/39/988012239.db2.gz LXUUJLSXYIYYIU-YJYMSZOUSA-N -1 3 379.840 3.073 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)N(C)C)cc1 ZINC001597513396 988110205 /nfs/dbraw/zinc/11/02/05/988110205.db2.gz SVADVVXCUXQJHA-LJQANCHMSA-N -1 3 399.491 3.058 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)N(C)C)cc1 ZINC001597513643 988114521 /nfs/dbraw/zinc/11/45/21/988114521.db2.gz ZMHMZYKVXYSYJD-FQEVSTJZSA-N -1 3 398.507 3.438 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC001589806127 988226983 /nfs/dbraw/zinc/22/69/83/988226983.db2.gz LQMMCYVCUICFHK-OAQYLSRUSA-N -1 3 388.439 3.454 20 0 GGADHM CC(C)(C)N1CC[C@@H]1CNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001589814880 988248252 /nfs/dbraw/zinc/24/82/52/988248252.db2.gz JTJMOIKEDFSCGW-IXDOHACOSA-N -1 3 393.915 3.022 20 0 GGADHM CCc1ccc2c(CN[C@@H](C(=O)[O-])c3ccc4c(c3)CCO4)cc(=O)oc2c1 ZINC001597563473 988315291 /nfs/dbraw/zinc/31/52/91/988315291.db2.gz MUPOBAAWIVNXFC-OAQYLSRUSA-N -1 3 379.412 3.206 20 0 GGADHM CCc1ccc([C@H](C)NCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC001597563775 988318090 /nfs/dbraw/zinc/31/80/90/988318090.db2.gz VVVQJDADUKWJKF-ZDUSSCGKSA-N -1 3 384.432 3.023 20 0 GGADHM CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNCc1ccc(/C=C\C(=O)[O-])o1)O2 ZINC001589860094 988424019 /nfs/dbraw/zinc/42/40/19/988424019.db2.gz HRLPYCXPGHYOFM-PQFQRSDASA-N -1 3 391.464 3.137 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cnc3ccccc3c2)CC12CC(C(=O)[O-])C2 ZINC001589865454 988457533 /nfs/dbraw/zinc/45/75/33/988457533.db2.gz AXTHYFYZHPZKBY-FRIYVGAWSA-N -1 3 396.487 3.489 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1CN([C@H]2C[C@@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867180 988483423 /nfs/dbraw/zinc/48/34/23/988483423.db2.gz UHKDEWRXFKKNHS-BPJOISHMSA-N -1 3 389.467 3.436 20 0 GGADHM CSc1cccc(N(C(=O)Cc2ccc(C(=O)[O-])nc2)C2CCN(C)CC2)c1 ZINC001599821908 988529043 /nfs/dbraw/zinc/52/90/43/988529043.db2.gz JQKPUHFOLNFCRE-UHFFFAOYSA-N -1 3 399.516 3.172 20 0 GGADHM CSc1ccccc1CN1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001599824305 988570614 /nfs/dbraw/zinc/57/06/14/988570614.db2.gz WNPPZNBZZOUYAV-OAHLLOKOSA-N -1 3 380.510 3.305 20 0 GGADHM CSc1ccccc1OC[C@H](O)CN(Cc1ccc(C(=O)[O-])[nH]1)C(C)C ZINC001599825397 988590605 /nfs/dbraw/zinc/59/06/05/988590605.db2.gz WKHKJCYMBWZGFK-OAHLLOKOSA-N -1 3 378.494 3.085 20 0 GGADHM CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001589929491 988685906 /nfs/dbraw/zinc/68/59/06/988685906.db2.gz CYHHFMOCNGRAIB-GOEBONIOSA-N -1 3 396.434 3.315 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C/c1ccc(F)cc1)C[C@H]2C(=O)[O-] ZINC001589947545 988736304 /nfs/dbraw/zinc/73/63/04/988736304.db2.gz GBZYCYOTJJWTTC-BDUNBXCCSA-N -1 3 390.455 3.092 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CN(C/C=C\c1ccc(F)cc1)C[C@H]2C(=O)[O-] ZINC001589947551 988736676 /nfs/dbraw/zinc/73/66/76/988736676.db2.gz GBZYCYOTJJWTTC-CHYADLBTSA-N -1 3 390.455 3.092 20 0 GGADHM CCc1nc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])sc1C ZINC001597678031 988796457 /nfs/dbraw/zinc/79/64/57/988796457.db2.gz JMLZBFARLSLTKS-INIZCTEOSA-N -1 3 375.494 3.394 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cc(C(=O)[O-])co3)CC2)C1 ZINC001589971667 988799320 /nfs/dbraw/zinc/79/93/20/988799320.db2.gz AXTXTQYHBNRZBO-OAHLLOKOSA-N -1 3 378.469 3.447 20 0 GGADHM CC(C)(C)OC(=O)N1CCC12CCN([C@H](C(=O)[O-])c1ccccc1F)CC2 ZINC001589992384 988901881 /nfs/dbraw/zinc/90/18/81/988901881.db2.gz SODSDDJLWQIKSY-INIZCTEOSA-N -1 3 378.444 3.427 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCc2ccccc2OCC(=O)[O-])CC1 ZINC001589995313 988914371 /nfs/dbraw/zinc/91/43/71/988914371.db2.gz SFCQETBAAWLSMZ-KRWDZBQOSA-N -1 3 390.480 3.029 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001589995210 988914859 /nfs/dbraw/zinc/91/48/59/988914859.db2.gz QZLGFOKTJAUZLW-FYCOFBDGSA-N -1 3 376.453 3.257 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001589995217 988914922 /nfs/dbraw/zinc/91/49/22/988914922.db2.gz QZLGFOKTJAUZLW-WLMCBFPDSA-N -1 3 376.453 3.257 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013692 988977512 /nfs/dbraw/zinc/97/75/12/988977512.db2.gz WRMQEXLDUPANBL-PBHICJAKSA-N -1 3 393.484 3.374 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NCc3cc(C(=O)[O-])co3)C(C)(C)[C@@H]21 ZINC001590024805 989012535 /nfs/dbraw/zinc/01/25/35/989012535.db2.gz DGVPJDUWEMYYHY-BZUAXINKSA-N -1 3 378.469 3.492 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(CCOC2CCCCCC2)[C@@H](C(=O)[O-])C1 ZINC001590034692 989049821 /nfs/dbraw/zinc/04/98/21/989049821.db2.gz JTIUICPDDGIJGI-QGZVFWFLSA-N -1 3 384.517 3.122 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C/C=C/c2cccc(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590035036 989055545 /nfs/dbraw/zinc/05/55/45/989055545.db2.gz PILIAPNFZHUJPX-ZGRWHYIRSA-N -1 3 378.444 3.235 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C/C=C\c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC001590035033 989055815 /nfs/dbraw/zinc/05/58/15/989055815.db2.gz PILIAPNFZHUJPX-AFCDSYGPSA-N -1 3 378.444 3.235 20 0 GGADHM CC(C)(C)OC(=O)N1CCCO[C@H](CNCc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001590035639 989061399 /nfs/dbraw/zinc/06/13/99/989061399.db2.gz GUGLARHLDZBPSH-OAHLLOKOSA-N -1 3 398.887 3.154 20 0 GGADHM CC(C)(C)OC(=O)N1CCCO[C@@H](CNCc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001590035638 989061560 /nfs/dbraw/zinc/06/15/60/989061560.db2.gz GUGLARHLDZBPSH-HNNXBMFYSA-N -1 3 398.887 3.154 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2nc(CN[C@H]3CC[C@@H](CC(=O)[O-])C3)sc2C1 ZINC001590084880 989197928 /nfs/dbraw/zinc/19/79/28/989197928.db2.gz LOCBYVUVMVRRLN-OLZOCXBDSA-N -1 3 395.525 3.169 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001597763214 989202511 /nfs/dbraw/zinc/20/25/11/989202511.db2.gz SHDMWSZFCRWDFD-HXUWFJFHSA-N -1 3 378.469 3.373 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(C4(C(=O)[O-])CC4)cc3)[C@@H]2C1 ZINC001590091696 989211342 /nfs/dbraw/zinc/21/13/42/989211342.db2.gz SSHBHURCSKVOBE-FUHWJXTLSA-N -1 3 386.492 3.244 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC001590091795 989213041 /nfs/dbraw/zinc/21/30/41/989213041.db2.gz XQHGUUNSXAFYPG-DLBZAZTESA-N -1 3 386.448 3.471 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001599864848 989229115 /nfs/dbraw/zinc/22/91/15/989229115.db2.gz LWLTWLQUOPRDDT-MRXNPFEDSA-N -1 3 384.476 3.330 20 0 GGADHM CC(C)(C)OC(=O)N1[C@H](CN2CCc3cccc(C(=O)[O-])c3C2)COC1(C)C ZINC001590105235 989252998 /nfs/dbraw/zinc/25/29/98/989252998.db2.gz BDLHHMZQJLOEMH-OAHLLOKOSA-N -1 3 390.480 3.115 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](CN1CCC2(C[C@H]2C(=O)[O-])CC1)CC(F)(F)F ZINC001590125089 989357841 /nfs/dbraw/zinc/35/78/41/989357841.db2.gz TYRYJOCFRBNARW-RYUDHWBXSA-N -1 3 380.407 3.019 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CN1CCC2(C[C@@H]2C(=O)[O-])CC1)CC(F)(F)F ZINC001590125092 989358059 /nfs/dbraw/zinc/35/80/59/989358059.db2.gz TYRYJOCFRBNARW-VXGBXAGGSA-N -1 3 380.407 3.019 20 0 GGADHM CCc1oc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)cc1C(=O)[O-] ZINC001597798766 989372828 /nfs/dbraw/zinc/37/28/28/989372828.db2.gz JRQMSZJCLKLVDB-GOSISDBHSA-N -1 3 396.281 3.386 20 0 GGADHM CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(CCOc1ccccc1C(=O)[O-])C2 ZINC001590137563 989386389 /nfs/dbraw/zinc/38/63/89/989386389.db2.gz AXXGHWSWHGDALG-VFNWGFHPSA-N -1 3 390.480 3.143 20 0 GGADHM CCc1oc(CNC[C@H](CO)Cc2ccc(Br)cc2)cc1C(=O)[O-] ZINC001597801421 989394904 /nfs/dbraw/zinc/39/49/04/989394904.db2.gz DLBNQPYLUOSUBH-CYBMUJFWSA-N -1 3 396.281 3.244 20 0 GGADHM CC(C)(C)OC(=O)NC1CC(N[C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001590139286 989398420 /nfs/dbraw/zinc/39/84/20/989398420.db2.gz LOWHBOBBXMEWEP-MGULZYLOSA-N -1 3 399.285 3.220 20 0 GGADHM CC(C)(C)OC(=O)NCC1(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)CC1 ZINC001590164842 989477880 /nfs/dbraw/zinc/47/78/80/989477880.db2.gz HHYJVHBCLIWACZ-UHFFFAOYSA-N -1 3 395.525 3.326 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2CCOc1ccccc1C(=O)[O-] ZINC001590169985 989494281 /nfs/dbraw/zinc/49/42/81/989494281.db2.gz OMCJWURPTAYCFO-BTYIYWSLSA-N -1 3 390.480 3.143 20 0 GGADHM CC(C)(C)OC(=O)NCCN(CCc1ccccc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001590200278 989558626 /nfs/dbraw/zinc/55/86/26/989558626.db2.gz CUJIDUXZSHFUHG-UHFFFAOYSA-N -1 3 387.480 3.282 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2ncc(C(=O)[O-])s2)CC1 ZINC001590206492 989577900 /nfs/dbraw/zinc/57/79/00/989577900.db2.gz KHGHGBHBOMLJKI-JOCQHMNTSA-N -1 3 383.514 3.262 20 0 GGADHM CCn1c(CN[C@@H](CC(C)C)C(=O)[O-])nc(Br)c1Br ZINC001597853583 989603148 /nfs/dbraw/zinc/60/31/48/989603148.db2.gz NQVDBTZTHIVXNV-QMMMGPOBSA-N -1 3 397.111 3.017 20 0 GGADHM CCn1c(CN[C@](C)(CC)CC(=O)[O-])nc(Br)c1Br ZINC001597853554 989603324 /nfs/dbraw/zinc/60/33/24/989603324.db2.gz MOSMKJFQBHJXKZ-GFCCVEGCSA-N -1 3 397.111 3.161 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc2c1CCN(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C2 ZINC001590319259 989753656 /nfs/dbraw/zinc/75/36/56/989753656.db2.gz ZCLNJZWTVDTAAE-HIFRSBDPSA-N -1 3 382.407 3.358 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cccc(C(=O)[O-])n2)C[C@@H]1c1ccccc1 ZINC001590359959 989808557 /nfs/dbraw/zinc/80/85/57/989808557.db2.gz MBEDGTKVHOKIKE-MSOLQXFVSA-N -1 3 382.460 3.337 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC001590365957 989840711 /nfs/dbraw/zinc/84/07/11/989840711.db2.gz NGSRDXIHEQKLAD-LJQANCHMSA-N -1 3 383.444 3.492 20 0 GGADHM CN(C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001597991323 990091996 /nfs/dbraw/zinc/09/19/96/990091996.db2.gz ISNPKPOLVDLHJL-IMSXRSKXSA-N -1 3 392.499 3.368 20 0 GGADHM CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001598061737 990335479 /nfs/dbraw/zinc/33/54/79/990335479.db2.gz NLXYXLDOPPKTAN-FQEVSTJZSA-N -1 3 381.476 3.442 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001598065980 990348367 /nfs/dbraw/zinc/34/83/67/990348367.db2.gz CXRPHZOAXQXOOV-OAHLLOKOSA-N -1 3 385.464 3.374 20 0 GGADHM CC(C)(CCCc1ccccc1)CNC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001590664594 990361968 /nfs/dbraw/zinc/36/19/68/990361968.db2.gz BFGFLGHQKROQSS-UHFFFAOYSA-N -1 3 389.540 3.226 20 0 GGADHM CC(C)(CNC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)Cc1cccc(Cl)c1 ZINC001590717816 990485550 /nfs/dbraw/zinc/48/55/50/990485550.db2.gz WOYDDNDEPCSIKH-UHFFFAOYSA-N -1 3 395.931 3.099 20 0 GGADHM CC(C)(CNC(=O)NCC1(CC(=O)[O-])CCCC1)N1CCc2ccccc2C1 ZINC001590722724 990498470 /nfs/dbraw/zinc/49/84/70/990498470.db2.gz SBKREKUGCOTNFG-UHFFFAOYSA-N -1 3 387.524 3.158 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)Cc1ccccc1 ZINC001598174215 990720836 /nfs/dbraw/zinc/72/08/36/990720836.db2.gz WNEGCOQHMUFDSA-SLFFLAALSA-N -1 3 381.476 3.169 20 0 GGADHM CN(C)C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC001598200484 990813903 /nfs/dbraw/zinc/81/39/03/990813903.db2.gz IRCOJRUXNHXPTH-INIZCTEOSA-N -1 3 381.904 3.277 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1ccc(F)cc1 ZINC001598202314 990823294 /nfs/dbraw/zinc/82/32/94/990823294.db2.gz DEMXLYKDALNCGE-CYBMUJFWSA-N -1 3 394.472 3.069 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001598202933 990827774 /nfs/dbraw/zinc/82/77/74/990827774.db2.gz OFJBYDUZEKDDEE-CQSZACIVSA-N -1 3 381.354 3.227 20 0 GGADHM CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598210529 990848779 /nfs/dbraw/zinc/84/87/79/990848779.db2.gz DVLKZLRDILTMFM-QGZVFWFLSA-N -1 3 391.471 3.249 20 0 GGADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccccc2CCC(=O)[O-])C1 ZINC001590898889 990850608 /nfs/dbraw/zinc/85/06/08/990850608.db2.gz CQOYPAWXRRNUHR-UHFFFAOYSA-N -1 3 396.487 3.085 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001598225692 990917720 /nfs/dbraw/zinc/91/77/20/990917720.db2.gz RHJWLSFMJFPSDO-UHFFFAOYSA-N -1 3 398.507 3.089 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598228272 990920073 /nfs/dbraw/zinc/92/00/73/990920073.db2.gz AKCRVEUURKUPLQ-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CC(C)C(=O)NC1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC001590938806 990967380 /nfs/dbraw/zinc/96/73/80/990967380.db2.gz MRSREPJLNATCNR-UHFFFAOYSA-N -1 3 378.469 3.475 20 0 GGADHM CN(C)CCSc1nc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC001598239480 990970611 /nfs/dbraw/zinc/97/06/11/990970611.db2.gz NKKAWDCUDPTNSL-UHFFFAOYSA-N -1 3 399.925 3.330 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001598246862 991010353 /nfs/dbraw/zinc/01/03/53/991010353.db2.gz CPWVXZDVCQWDDR-UHFFFAOYSA-N -1 3 382.416 3.470 20 0 GGADHM CN(C)Cc1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1Cl ZINC001598252976 991036142 /nfs/dbraw/zinc/03/61/42/991036142.db2.gz UBZOKYGDINAPIC-UHFFFAOYSA-N -1 3 386.832 3.040 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001598253034 991037913 /nfs/dbraw/zinc/03/79/13/991037913.db2.gz ARGRWMYNVJUMKI-MRXNPFEDSA-N -1 3 380.366 3.480 20 0 GGADHM CN(C)Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)c2c1OC(F)(F)O2 ZINC001598253121 991039118 /nfs/dbraw/zinc/03/91/18/991039118.db2.gz VUQIOKFEGCJQAA-UHFFFAOYSA-N -1 3 384.423 3.147 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001598253084 991039529 /nfs/dbraw/zinc/03/95/29/991039529.db2.gz GRLOARJIBJFTLQ-INIZCTEOSA-N -1 3 391.265 3.066 20 0 GGADHM CN(C)Cc1cnc(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)s1 ZINC001598253720 991048256 /nfs/dbraw/zinc/04/82/56/991048256.db2.gz CEKPBWAONUBUMB-JKSUJKDBSA-N -1 3 379.913 3.158 20 0 GGADHM COc1ccccc1-c1ccc([C@H](C)N[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1 ZINC001599692724 991096600 /nfs/dbraw/zinc/09/66/00/991096600.db2.gz SZUDBRMGAVBOEE-JXFKEZNVSA-N -1 3 396.487 3.479 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590980822 991134060 /nfs/dbraw/zinc/13/40/60/991134060.db2.gz KYHQADIWMSYKGM-IPJJNNNSSA-N -1 3 387.524 3.039 20 0 GGADHM COc1ccccc1-c1nc(C2CCN(Cc3cc(C(=O)[O-])n(C)c3)CC2)no1 ZINC001599695103 991136844 /nfs/dbraw/zinc/13/68/44/991136844.db2.gz KQWMFSZCDWJKJE-UHFFFAOYSA-N -1 3 396.447 3.162 20 0 GGADHM CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001590988612 991186520 /nfs/dbraw/zinc/18/65/20/991186520.db2.gz NNVMOBYSNJJVBK-QGZVFWFLSA-N -1 3 392.496 3.376 20 0 GGADHM CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001590988961 991191653 /nfs/dbraw/zinc/19/16/53/991191653.db2.gz RGEVPESXTXALBV-MRXNPFEDSA-N -1 3 392.496 3.376 20 0 GGADHM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001598293783 991212072 /nfs/dbraw/zinc/21/20/72/991212072.db2.gz PLYKRWPESZSBFM-GOSISDBHSA-N -1 3 396.491 3.189 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591008433 991277258 /nfs/dbraw/zinc/27/72/58/991277258.db2.gz YNRFNIKIMNFZDE-PKOBYXMFSA-N -1 3 389.540 3.339 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC001591025330 991324311 /nfs/dbraw/zinc/32/43/11/991324311.db2.gz PHLJXQNVCISHTI-RTBURBONSA-N -1 3 390.867 3.325 20 0 GGADHM CN(C)c1ccc(NC(=O)CCN2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)cc1 ZINC001598323137 991337553 /nfs/dbraw/zinc/33/75/53/991337553.db2.gz RQYAPTOUZXLPQW-IBGZPJMESA-N -1 3 398.507 3.345 20 0 GGADHM CN(C)c1ccc(NC(=O)CCN2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)cc1 ZINC001598323138 991337640 /nfs/dbraw/zinc/33/76/40/991337640.db2.gz RQYAPTOUZXLPQW-LJQANCHMSA-N -1 3 398.507 3.345 20 0 GGADHM COc1ccccc1N1CCCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001599714918 991436839 /nfs/dbraw/zinc/43/68/39/991436839.db2.gz PJVVEEUBZLPELS-KRWDZBQOSA-N -1 3 384.476 3.259 20 0 GGADHM CC(C)[C@@H](SCCN(C)Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591051983 991455611 /nfs/dbraw/zinc/45/56/11/991455611.db2.gz LDHYNSDHXXQKPR-LJQANCHMSA-N -1 3 392.565 3.199 20 0 GGADHM COc1ccccc1OCCN[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001599717552 991482921 /nfs/dbraw/zinc/48/29/21/991482921.db2.gz NMQDIFCCLCGRBQ-MRXNPFEDSA-N -1 3 385.338 3.388 20 0 GGADHM CN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598384889 991599647 /nfs/dbraw/zinc/59/96/47/991599647.db2.gz MILXKRJCSDGJAM-GQIGUUNPSA-N -1 3 384.501 3.017 20 0 GGADHM COc1cncc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)c1C ZINC001599725667 991618757 /nfs/dbraw/zinc/61/87/57/991618757.db2.gz BHBHARZTSHOVEQ-INIZCTEOSA-N -1 3 379.254 3.419 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001591094359 991671324 /nfs/dbraw/zinc/67/13/24/991671324.db2.gz JLHAFYHRKNIIBG-HKUYNNGSSA-N -1 3 387.524 3.137 20 0 GGADHM CC(C)CC(=O)N1CCCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001591106199 991736426 /nfs/dbraw/zinc/73/64/26/991736426.db2.gz APQGWSKJKPVHQM-KRWDZBQOSA-N -1 3 386.414 3.412 20 0 GGADHM CN(CC(F)F)C1CCN([C@@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC001598430061 991789507 /nfs/dbraw/zinc/78/95/07/991789507.db2.gz BIPZMPGIMVDRHN-OAHLLOKOSA-N -1 3 391.256 3.236 20 0 GGADHM CN(CC(F)F)C1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001598430289 991792650 /nfs/dbraw/zinc/79/26/50/991792650.db2.gz HSTIZKWMQMZQEM-HNNXBMFYSA-N -1 3 380.357 3.492 20 0 GGADHM CN(CC(F)F)C1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001598430350 991793666 /nfs/dbraw/zinc/79/36/66/991793666.db2.gz KIGWDUGICOHBNC-OAHLLOKOSA-N -1 3 391.256 3.236 20 0 GGADHM CN(C[C@H](O)Cc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598436131 991825939 /nfs/dbraw/zinc/82/59/39/991825939.db2.gz CCWYJUWRBJQUHZ-CXAGYDPISA-N -1 3 387.785 3.418 20 0 GGADHM CN(C[C@H](O)c1cccc(Br)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC001598437291 991843309 /nfs/dbraw/zinc/84/33/09/991843309.db2.gz QDDAQUOLDOXSAF-HOTGVXAUSA-N -1 3 382.229 3.379 20 0 GGADHM COc1nsc(CN(C)CCCc2cc(-c3ccccc3)n[nH]2)c1C(=O)[O-] ZINC001599740859 991853218 /nfs/dbraw/zinc/85/32/18/991853218.db2.gz KWXSAHVMQXINRY-UHFFFAOYSA-N -1 3 386.477 3.305 20 0 GGADHM COc1nsc(CNCCCCC2(C(=O)[O-])CCC2)c1Br ZINC001599742938 991886438 /nfs/dbraw/zinc/88/64/38/991886438.db2.gz UNLJOMWPZIBRCW-UHFFFAOYSA-N -1 3 377.304 3.429 20 0 GGADHM COc1nsc(CNCCOc2ccc(Cl)c(Cl)c2)c1C(=O)[O-] ZINC001599742973 991887940 /nfs/dbraw/zinc/88/79/40/991887940.db2.gz VBBUSCLLRABULB-UHFFFAOYSA-N -1 3 377.249 3.325 20 0 GGADHM CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591211501 992058058 /nfs/dbraw/zinc/05/80/58/992058058.db2.gz GGLLIFRODOSQID-HUUCEWRRSA-N -1 3 394.537 3.447 20 0 GGADHM CC(C)CC[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591221783 992089190 /nfs/dbraw/zinc/08/91/90/992089190.db2.gz OOHYAODHKNNZDF-WMZOPIPTSA-N -1 3 395.931 3.475 20 0 GGADHM CN(CCCN(C)c1ncc(C(=O)[O-])cc1C(F)(F)F)Cc1ccncc1 ZINC001598479340 992123052 /nfs/dbraw/zinc/12/30/52/992123052.db2.gz XWDVATDLCTUISD-UHFFFAOYSA-N -1 3 382.386 3.152 20 0 GGADHM CN(CCCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598481140 992151886 /nfs/dbraw/zinc/15/18/86/992151886.db2.gz HRDXXKVDZCMVKJ-CQSZACIVSA-N -1 3 376.375 3.076 20 0 GGADHM CC(C)CCOc1ccc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1F ZINC001591260822 992170961 /nfs/dbraw/zinc/17/09/61/992170961.db2.gz QQOWKBKNPAXSTL-UHFFFAOYSA-N -1 3 395.475 3.263 20 0 GGADHM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1cncc(C(=O)[O-])c1 ZINC001598483353 992183799 /nfs/dbraw/zinc/18/37/99/992183799.db2.gz SORWDRTUKZWITI-UHFFFAOYSA-N -1 3 382.439 3.384 20 0 GGADHM CN(CCN1CC2(C1)CCOCC2)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598487505 992226818 /nfs/dbraw/zinc/22/68/18/992226818.db2.gz SKDAZLJEWMCUNN-UHFFFAOYSA-N -1 3 384.476 3.189 20 0 GGADHM CC(C)CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC001591290033 992235458 /nfs/dbraw/zinc/23/54/58/992235458.db2.gz QNYYTRFIXQJSDZ-NRFANRHFSA-N -1 3 380.488 3.183 20 0 GGADHM CN(CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598490731 992287671 /nfs/dbraw/zinc/28/76/71/992287671.db2.gz CWUWLBLXVAUGAA-CYBMUJFWSA-N -1 3 376.375 3.288 20 0 GGADHM C[S@](=O)[C@@H]1CC[C@@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001599775124 992292788 /nfs/dbraw/zinc/29/27/88/992292788.db2.gz JWWVOGVFLMUIJO-KFDHSVMUSA-N -1 3 387.501 3.353 20 0 GGADHM C[S@](=O)C[C@@H](NCCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001599775347 992294771 /nfs/dbraw/zinc/29/47/71/992294771.db2.gz MQDOUGFJQDUIDL-CPJLOUKISA-N -1 3 381.881 3.126 20 0 GGADHM C[S@@](=O)Cc1ccc(CNCc2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC001599777280 992319872 /nfs/dbraw/zinc/31/98/72/992319872.db2.gz QIZYLQSKSQNIDQ-HSZRJFAPSA-N -1 3 396.306 3.316 20 0 GGADHM CC(C)CN1CCC[C@@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001591364841 992365148 /nfs/dbraw/zinc/36/51/48/992365148.db2.gz QVQOVKMAMILFCH-CYBMUJFWSA-N -1 3 387.249 3.345 20 0 GGADHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001598498895 992403040 /nfs/dbraw/zinc/40/30/40/992403040.db2.gz VJEOAGBEPNCARQ-CGQZWFTASA-N -1 3 390.480 3.104 20 0 GGADHM CN(C[C@@H](O)CCOCc1ccccc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598503388 992465718 /nfs/dbraw/zinc/46/57/18/992465718.db2.gz IIAWBNXNXJMMCK-HNAYVOBHSA-N -1 3 397.393 3.129 20 0 GGADHM CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001598506195 992506500 /nfs/dbraw/zinc/50/65/00/992506500.db2.gz YRAIMUAGVCNKLS-GDZNZVCISA-N -1 3 382.863 3.013 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H](O)c1ccccc1Br ZINC001598509196 992546441 /nfs/dbraw/zinc/54/64/41/992546441.db2.gz HKRTXGPUJMQBHF-MRXNPFEDSA-N -1 3 382.229 3.452 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)N(C)C)cc1 ZINC001591484299 992610272 /nfs/dbraw/zinc/61/02/72/992610272.db2.gz NCYSPGSCUTUTOK-FQEVSTJZSA-N -1 3 389.540 3.384 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001598517382 992633127 /nfs/dbraw/zinc/63/31/27/992633127.db2.gz HHCDWGHMYIBVMP-QLFBSQMISA-N -1 3 384.929 3.325 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001598517385 992634215 /nfs/dbraw/zinc/63/42/15/992634215.db2.gz HHCDWGHMYIBVMP-SOUVJXGZSA-N -1 3 384.929 3.325 20 0 GGADHM CC(C)N(C)Cc1cc(O[C@H]2CCN([C@@H](C(=O)[O-])c3ccsc3)C2)ccn1 ZINC001591555957 992750786 /nfs/dbraw/zinc/75/07/86/992750786.db2.gz PLPXRKPVRHKKJP-RBUKOAKNSA-N -1 3 389.521 3.262 20 0 GGADHM CN(Cc1ccccc1CC(=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC001598529467 992760554 /nfs/dbraw/zinc/76/05/54/992760554.db2.gz LPLKDOIWTJLRCZ-INIZCTEOSA-N -1 3 397.393 3.204 20 0 GGADHM CC(C)N1CCN(CCCSc2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC001591633715 992940044 /nfs/dbraw/zinc/94/00/44/992940044.db2.gz VXWHTKPSJOSZBQ-UHFFFAOYSA-N -1 3 391.459 3.307 20 0 GGADHM CN1C(=O)C[C@@H](NCc2ccsc2C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001598549008 992980251 /nfs/dbraw/zinc/98/02/51/992980251.db2.gz LEUIGDQIQOXJHZ-UKRRQHHQSA-N -1 3 382.844 3.300 20 0 GGADHM CN1C(=O)C[C@H](N[C@@H](C(=O)[O-])c2cccc(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598552477 993019582 /nfs/dbraw/zinc/01/95/82/993019582.db2.gz ZKBVLVHHFWXHOU-CGTJXYLNSA-N -1 3 394.805 3.306 20 0 GGADHM CN1C[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C(C)(C)C1 ZINC001598567991 993164314 /nfs/dbraw/zinc/16/43/14/993164314.db2.gz MVTVKIJSLCEUNM-KRWDZBQOSA-N -1 3 388.489 3.340 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@@H]1c1ccccc1 ZINC001598585074 993370644 /nfs/dbraw/zinc/37/06/44/993370644.db2.gz CPCARNQBOCLEOU-PBHICJAKSA-N -1 3 375.375 3.230 20 0 GGADHM CN1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@@H]1c1ccccc1 ZINC001598585077 993370874 /nfs/dbraw/zinc/37/08/74/993370874.db2.gz CPCARNQBOCLEOU-YOEHRIQHSA-N -1 3 375.375 3.230 20 0 GGADHM CN1CC[C@H](NCc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC001598587150 993401153 /nfs/dbraw/zinc/40/11/53/993401153.db2.gz CRPRRGAONMGHIX-QFBILLFUSA-N -1 3 384.867 3.450 20 0 GGADHM CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001598599793 993559374 /nfs/dbraw/zinc/55/93/74/993559374.db2.gz XBVMIGAVOQFDBT-HNNXBMFYSA-N -1 3 390.505 3.033 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2)cc1 ZINC001593062664 993579926 /nfs/dbraw/zinc/57/99/26/993579926.db2.gz LAEBNLKSAIFXSG-SJLPKXTDSA-N -1 3 397.475 3.198 20 0 GGADHM C[C@@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)[C@H](c1ccccc1)N(C)C ZINC001593069799 993613221 /nfs/dbraw/zinc/61/32/21/993613221.db2.gz JDEMBLJURCKCBA-FOIQADDNSA-N -1 3 381.476 3.144 20 0 GGADHM CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C[C@@H](C(=O)[O-])C1 ZINC001598604260 993617672 /nfs/dbraw/zinc/61/76/72/993617672.db2.gz SBBYUHWIGKBTMH-HNNXBMFYSA-N -1 3 378.900 3.017 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593083557 993681655 /nfs/dbraw/zinc/68/16/55/993681655.db2.gz OJLJLHIGXUDKLG-MFKMUULPSA-N -1 3 396.900 3.158 20 0 GGADHM C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593084594 993689610 /nfs/dbraw/zinc/68/96/10/993689610.db2.gz TWRZQWGWWJCIJJ-ZFWWWQNUSA-N -1 3 388.493 3.039 20 0 GGADHM C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593085035 993691772 /nfs/dbraw/zinc/69/17/72/993691772.db2.gz ZLUDBELKSFPART-RYUDHWBXSA-N -1 3 394.522 3.100 20 0 GGADHM C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593085034 993692210 /nfs/dbraw/zinc/69/22/10/993692210.db2.gz ZLUDBELKSFPART-NWDGAFQWSA-N -1 3 394.522 3.100 20 0 GGADHM COc1ccc(NC(=O)N(CCc2ccccc2)CCN(C)C)c(C(=O)[O-])c1 ZINC001599591904 993695154 /nfs/dbraw/zinc/69/51/54/993695154.db2.gz MDMFTPOSEXYMIR-UHFFFAOYSA-N -1 3 385.464 3.032 20 0 GGADHM CN1CCN(C(=O)Nc2cc(F)ccc2Oc2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598607775 993699647 /nfs/dbraw/zinc/69/96/47/993699647.db2.gz APYXNBJTACFOGJ-AWEZNQCLSA-N -1 3 387.411 3.098 20 0 GGADHM CN1CCN(C(=O)Nc2cccc(Oc3ccccc3F)c2)C[C@@H](C(=O)[O-])C1 ZINC001598608490 993719950 /nfs/dbraw/zinc/71/99/50/993719950.db2.gz JFSIFXQCYZNWTD-AWEZNQCLSA-N -1 3 387.411 3.098 20 0 GGADHM CN1CCN(C(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598608867 993728908 /nfs/dbraw/zinc/72/89/08/993728908.db2.gz MARSYGWXOYLBAB-HNNXBMFYSA-N -1 3 389.402 3.112 20 0 GGADHM C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC001593113307 993790744 /nfs/dbraw/zinc/79/07/44/993790744.db2.gz UVMPYDMUDUGIQL-GTNSWQLSSA-N -1 3 377.391 3.476 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)[C@H](c1ccccc1)N(C)C ZINC001593114830 993794785 /nfs/dbraw/zinc/79/47/85/993794785.db2.gz CWDLUOXXUCWBJB-KZULUSFZSA-N -1 3 381.436 3.074 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC001593114902 993795651 /nfs/dbraw/zinc/79/56/51/993795651.db2.gz FQCWTDSFDGVGRW-QRWLVFNGSA-N -1 3 385.464 3.353 20 0 GGADHM COc1ccc(OC)c([C@@H](O)CN2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC001599602952 993843213 /nfs/dbraw/zinc/84/32/13/993843213.db2.gz DCYSYKGGURKCDH-NRFANRHFSA-N -1 3 399.487 3.390 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001593131186 993878629 /nfs/dbraw/zinc/87/86/29/993878629.db2.gz LRMNRFOJZNHJOJ-JKSUJKDBSA-N -1 3 392.496 3.275 20 0 GGADHM CN1CCN(CCCOc2ccc(NC3CCC(CC(=O)[O-])CC3)cc2)CC1 ZINC001598617711 993923910 /nfs/dbraw/zinc/92/39/10/993923910.db2.gz CVUFSNCMPZBVFV-UHFFFAOYSA-N -1 3 389.540 3.148 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598618512 993943829 /nfs/dbraw/zinc/94/38/29/993943829.db2.gz JRDALBUHQNOMPV-ZAGZISDZSA-N -1 3 380.488 3.022 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618792 993952848 /nfs/dbraw/zinc/95/28/48/993952848.db2.gz VTNXPHTUYCFYNR-ZRFOIIEFSA-N -1 3 380.488 3.022 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618790 993953254 /nfs/dbraw/zinc/95/32/54/993953254.db2.gz VTNXPHTUYCFYNR-ZAGZISDZSA-N -1 3 380.488 3.022 20 0 GGADHM CN1CCN(c2ccc(NCc3ccc(C(=O)[O-])cc3F)c3cnccc32)CC1 ZINC001598624034 994056790 /nfs/dbraw/zinc/05/67/90/994056790.db2.gz DWIQWPHNBYBPKU-UHFFFAOYSA-N -1 3 394.450 3.436 20 0 GGADHM C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(C(=O)[O-])co1 ZINC001593195699 994149046 /nfs/dbraw/zinc/14/90/46/994149046.db2.gz DRWBBBCLVWEZEJ-ZIAGYGMSSA-N -1 3 375.444 3.281 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593197443 994163992 /nfs/dbraw/zinc/16/39/92/994163992.db2.gz KCFWQKUNQMZAFN-OTMMVIPVSA-N -1 3 380.242 3.259 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc2ncsc2c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593199692 994179538 /nfs/dbraw/zinc/17/95/38/994179538.db2.gz YPPUVDNLJDNRKJ-CHWSQXEVSA-N -1 3 383.473 3.350 20 0 GGADHM C[C@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC001593203673 994187740 /nfs/dbraw/zinc/18/77/40/994187740.db2.gz GHDXSXZGTSVBLH-GUYCJALGSA-N -1 3 379.453 3.486 20 0 GGADHM C[C@@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC001593203672 994188082 /nfs/dbraw/zinc/18/80/82/994188082.db2.gz GHDXSXZGTSVBLH-DYVFJYSZSA-N -1 3 379.453 3.486 20 0 GGADHM COc1ccc2c(c1)OCC[C@H]2N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599629946 994202675 /nfs/dbraw/zinc/20/26/75/994202675.db2.gz ILOGMUQNUFVZGN-FZKQIMNGSA-N -1 3 384.432 3.224 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599629943 994203018 /nfs/dbraw/zinc/20/30/18/994203018.db2.gz ILOGMUQNUFVZGN-ACJLOTCBSA-N -1 3 384.432 3.224 20 0 GGADHM C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593211623 994271044 /nfs/dbraw/zinc/27/10/44/994271044.db2.gz ZKYXQHNSQTVKQE-DSIZOQBWSA-N -1 3 378.900 3.338 20 0 GGADHM COc1ccc2ccccc2c1CN(C(=O)[C@H](N)CCC(=O)[O-])C1CCCC1 ZINC001599635761 994285951 /nfs/dbraw/zinc/28/59/51/994285951.db2.gz QJMGDTNBIDUMMD-LJQANCHMSA-N -1 3 384.476 3.312 20 0 GGADHM C[C@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1OCC(=O)[O-] ZINC001593222212 994332346 /nfs/dbraw/zinc/33/23/46/994332346.db2.gz ILDNKAGTQRZXPX-FUHWJXTLSA-N -1 3 382.460 3.105 20 0 GGADHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598643053 994343131 /nfs/dbraw/zinc/34/31/31/994343131.db2.gz WBDFSHWTRZYJST-HOCLYGCPSA-N -1 3 386.414 3.144 20 0 GGADHM COc1cccc(C(=O)[O-])c1CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC001599644107 994399388 /nfs/dbraw/zinc/39/93/88/994399388.db2.gz FMVLUOYFFHOLEG-GOSISDBHSA-N -1 3 383.444 3.244 20 0 GGADHM COc1cccc(C(=O)[O-])c1CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001599644582 994406831 /nfs/dbraw/zinc/40/68/31/994406831.db2.gz JVJYFXKXBGXYIY-NSHDSACASA-N -1 3 381.354 3.192 20 0 GGADHM C[C@@H](NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593246337 994450315 /nfs/dbraw/zinc/45/03/15/994450315.db2.gz KDBGZJYTVFRVQM-DYVFJYSZSA-N -1 3 378.856 3.355 20 0 GGADHM C[C@H](NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593246338 994450337 /nfs/dbraw/zinc/45/03/37/994450337.db2.gz KDBGZJYTVFRVQM-GUYCJALGSA-N -1 3 378.856 3.355 20 0 GGADHM C[C@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593246432 994451427 /nfs/dbraw/zinc/45/14/27/994451427.db2.gz LGRKQZLMNOWTTA-WCQYABFASA-N -1 3 382.254 3.242 20 0 GGADHM C[C@@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593246431 994451540 /nfs/dbraw/zinc/45/15/40/994451540.db2.gz LGRKQZLMNOWTTA-DGCLKSJQSA-N -1 3 382.254 3.242 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001599648939 994466712 /nfs/dbraw/zinc/46/67/12/994466712.db2.gz AVACPFUZINJGTK-HZPDHXFCSA-N -1 3 378.469 3.056 20 0 GGADHM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cnc(Br)c(C)c2)c1 ZINC001599649751 994479232 /nfs/dbraw/zinc/47/92/32/994479232.db2.gz GRGABMSBSUYJFP-OAHLLOKOSA-N -1 3 379.254 3.419 20 0 GGADHM C[C@@H](NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(C(=O)[O-])co1 ZINC001593250010 994483416 /nfs/dbraw/zinc/48/34/16/994483416.db2.gz ZSBNHVYDEGYPCC-CXAGYDPISA-N -1 3 378.856 3.355 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650784 994495625 /nfs/dbraw/zinc/49/56/25/994495625.db2.gz OAAXGUZWENQIFK-RDJZCZTQSA-N -1 3 378.469 3.152 20 0 GGADHM C[C@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1OCC(=O)[O-] ZINC001593252882 994509516 /nfs/dbraw/zinc/50/95/16/994509516.db2.gz WEFNNLXISTUPDA-HNNXBMFYSA-N -1 3 390.480 3.368 20 0 GGADHM C[C@H](NCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(C(=O)[O-])co1 ZINC001593267027 994583595 /nfs/dbraw/zinc/58/35/95/994583595.db2.gz JAMPWCKQIVJQRR-AWEZNQCLSA-N -1 3 377.872 3.104 20 0 GGADHM C[C@@H](NCCc1ccc(OCC(F)(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC001593275743 994629850 /nfs/dbraw/zinc/62/98/50/994629850.db2.gz VHPVKRDRXKSFHI-SECBINFHSA-N -1 3 375.372 3.071 20 0 GGADHM C[C@H](NCCc1ccc(OCC(F)(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC001593275753 994629997 /nfs/dbraw/zinc/62/99/97/994629997.db2.gz VHPVKRDRXKSFHI-VIFPVBQESA-N -1 3 375.372 3.071 20 0 GGADHM COc1cccc([C@@H](O)C2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)c1 ZINC001599659788 994637998 /nfs/dbraw/zinc/63/79/98/994637998.db2.gz NBUGIDIXSGSKRB-ZHRRBRCNSA-N -1 3 399.487 3.493 20 0 GGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1Br)[C@H](O)c1ccc(F)cc1 ZINC001593295572 994692086 /nfs/dbraw/zinc/69/20/86/994692086.db2.gz GNBUXRLCUGKIJJ-QFYYESIMSA-N -1 3 382.229 3.498 20 0 GGADHM C[C@@H](NCc1ccc(OCc2nccn2C)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593297905 994708641 /nfs/dbraw/zinc/70/86/41/994708641.db2.gz BXOSDJIEPYSTMW-MRXNPFEDSA-N -1 3 395.459 3.313 20 0 GGADHM COc1cccc([C@@H]2CN(CCOc3ccc(C(=O)[O-])cc3Cl)CCN2)c1 ZINC001599665693 994726649 /nfs/dbraw/zinc/72/66/49/994726649.db2.gz RGAYFAAOQJIGMI-SFHVURJKSA-N -1 3 390.867 3.072 20 0 GGADHM C[C@](NCc1ccc2nccnc2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593304095 994742083 /nfs/dbraw/zinc/74/20/83/994742083.db2.gz HYWRCFAQVOPXOV-GOSISDBHSA-N -1 3 386.249 3.482 20 0 GGADHM C[C@](NCc1ccc2nonc2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593304506 994747791 /nfs/dbraw/zinc/74/77/91/994747791.db2.gz MWWCOCGEGQXKMV-MRXNPFEDSA-N -1 3 376.210 3.075 20 0 GGADHM C[C@@](NCc1ccc2nonc2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593304505 994748130 /nfs/dbraw/zinc/74/81/30/994748130.db2.gz MWWCOCGEGQXKMV-INIZCTEOSA-N -1 3 376.210 3.075 20 0 GGADHM COC(=O)C(C)(C)[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001598682955 994959479 /nfs/dbraw/zinc/95/94/79/994959479.db2.gz IRRAIEKKVNMYCH-AWEZNQCLSA-N -1 3 383.872 3.328 20 0 GGADHM C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1OCC(=O)[O-] ZINC001593354429 994992197 /nfs/dbraw/zinc/99/21/97/994992197.db2.gz PQZCIQZQEIBTIE-IJEWVQPXSA-N -1 3 378.469 3.199 20 0 GGADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001598689985 995048928 /nfs/dbraw/zinc/04/89/28/995048928.db2.gz UIKICLQVVLAYQS-DLBZAZTESA-N -1 3 385.460 3.350 20 0 GGADHM COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001598689991 995049193 /nfs/dbraw/zinc/04/91/93/995049193.db2.gz UIKICLQVVLAYQS-SJORKVTESA-N -1 3 385.460 3.350 20 0 GGADHM COC(=O)[C@@H](CC(C)C)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001598698336 995178563 /nfs/dbraw/zinc/17/85/63/995178563.db2.gz PIUMBMBNWKOZCN-ARFHVFGLSA-N -1 3 398.297 3.137 20 0 GGADHM C[C@](O)(CNCc1oc(Br)cc1C(=O)[O-])c1ccccc1Cl ZINC001593411278 995186012 /nfs/dbraw/zinc/18/60/12/995186012.db2.gz MHYIKSOTZJESOY-HNNXBMFYSA-N -1 3 388.645 3.391 20 0 GGADHM COC(=O)[C@H](CNCc1oc(Br)cc1C(=O)[O-])C1CCCCC1 ZINC001598702651 995243846 /nfs/dbraw/zinc/24/38/46/995243846.db2.gz MRSKQVAWKZPYKN-GFCCVEGCSA-N -1 3 388.258 3.199 20 0 GGADHM COC(=O)[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC001598707307 995303799 /nfs/dbraw/zinc/30/37/99/995303799.db2.gz DGTAYXUNYKQYHH-WOJBJXKFSA-N -1 3 382.460 3.026 20 0 GGADHM COC(=O)[C@@H]1[C@@H](CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740711 995560320 /nfs/dbraw/zinc/56/03/20/995560320.db2.gz GAZBHSFBUHTKLC-JFUSQASVSA-N -1 3 382.190 3.105 20 0 GGADHM C[C@H](OCCCNC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608554 995797220 /nfs/dbraw/zinc/79/72/20/995797220.db2.gz KBVULKFWDCEMQL-PKOBYXMFSA-N -1 3 390.524 3.093 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1)C(=O)[O-] ZINC001593616109 995843572 /nfs/dbraw/zinc/84/35/72/995843572.db2.gz WUVFCZWXLCJTFD-INIZCTEOSA-N -1 3 387.451 3.247 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC001593616385 995847780 /nfs/dbraw/zinc/84/77/80/995847780.db2.gz YWDSOMXQEUKGDU-HNNXBMFYSA-N -1 3 392.496 3.418 20 0 GGADHM C[C@H](Oc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1F)C(=O)[O-] ZINC001593623881 995882468 /nfs/dbraw/zinc/88/24/68/995882468.db2.gz AWDFTTYYLHETDC-MVWJERBFSA-N -1 3 393.333 3.364 20 0 GGADHM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772874 995900186 /nfs/dbraw/zinc/90/01/86/995900186.db2.gz AVECWNMSNGLILK-QAPCUYQASA-N -1 3 387.407 3.456 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(O)(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593644079 995955843 /nfs/dbraw/zinc/95/58/43/995955843.db2.gz BLSYXRHDLJMNCR-INIZCTEOSA-N -1 3 387.451 3.247 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644549 995962713 /nfs/dbraw/zinc/96/27/13/995962713.db2.gz LSQZVEJGLUQWKQ-VFNWGFHPSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644548 995962825 /nfs/dbraw/zinc/96/28/25/995962825.db2.gz LSQZVEJGLUQWKQ-QVKFZJNVSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@H](Oc1ccccc1CNC[C@@H](O)c1ccccc1Br)C(=O)[O-] ZINC001593644603 995963372 /nfs/dbraw/zinc/96/33/72/995963372.db2.gz AMNUQBBXDZYDCP-BLLLJJGKSA-N -1 3 394.265 3.124 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@H](O)c1ccccc1Br)C(=O)[O-] ZINC001593644606 995963817 /nfs/dbraw/zinc/96/38/17/995963817.db2.gz AMNUQBBXDZYDCP-WBMJQRKESA-N -1 3 394.265 3.124 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644805 995966268 /nfs/dbraw/zinc/96/62/68/995966268.db2.gz NAMUMWRKKSQKOB-JSGCOSHPSA-N -1 3 395.381 3.337 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644808 995966570 /nfs/dbraw/zinc/96/65/70/995966570.db2.gz NAMUMWRKKSQKOB-TZMCWYRMSA-N -1 3 395.381 3.337 20 0 GGADHM C[C@@H](Oc1ccccc1CN[C@@H]1CCN(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC001593644883 995967176 /nfs/dbraw/zinc/96/71/76/995967176.db2.gz DTGHLTNHKZGPRP-CZUORRHYSA-N -1 3 376.403 3.185 20 0 GGADHM C[C@@H](Oc1ccccc1CN[C@H]1CCN(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC001593644882 995967648 /nfs/dbraw/zinc/96/76/48/995967648.db2.gz DTGHLTNHKZGPRP-CJNGLKHVSA-N -1 3 376.403 3.185 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(CO)(Cc2ccccc2)CC1)C(=O)[O-] ZINC001593644997 995969249 /nfs/dbraw/zinc/96/92/49/995969249.db2.gz OETGXNUWYJLZRH-GOSISDBHSA-N -1 3 383.488 3.356 20 0 GGADHM C[C@H](Oc1ccccc1CNC[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001593646104 995980030 /nfs/dbraw/zinc/98/00/30/995980030.db2.gz ODWTVOBUNNXGOJ-BLLLJJGKSA-N -1 3 399.365 3.260 20 0 GGADHM CC(C)[C@H](CNCc1ccccc1O[C@@H](C)C(=O)[O-])NC(=O)OC(C)(C)C ZINC001593646438 995985097 /nfs/dbraw/zinc/98/50/97/995985097.db2.gz RMHLSBKZIOISPK-HOCLYGCPSA-N -1 3 380.485 3.177 20 0 GGADHM CC(C)[C@@H](CNCc1ccccc1O[C@H](C)C(=O)[O-])NC(=O)OC(C)(C)C ZINC001593646436 995985724 /nfs/dbraw/zinc/98/57/24/995985724.db2.gz RMHLSBKZIOISPK-GDBMZVCRSA-N -1 3 380.485 3.177 20 0 GGADHM C[C@H](Oc1ccccc1CN1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646686 995988120 /nfs/dbraw/zinc/98/81/20/995988120.db2.gz ZXZHDDFYWQGFJB-ZOBUZTSGSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@H](CNCc1ccccc1O[C@@H](C)C(=O)[O-])c1nc(-c2ccccc2)no1 ZINC001593646705 995988197 /nfs/dbraw/zinc/98/81/97/995988197.db2.gz VCCMAJVQSAWVBE-CABCVRRESA-N -1 3 381.432 3.482 20 0 GGADHM C[C@@H](Oc1ccccc1CNC[C@H](C)c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001593646708 995988391 /nfs/dbraw/zinc/98/83/91/995988391.db2.gz VCCMAJVQSAWVBE-LSDHHAIUSA-N -1 3 381.432 3.482 20 0 GGADHM C[C@H](CNCc1ccccc1O[C@H](C)C(=O)[O-])c1nc(-c2ccccc2)no1 ZINC001593646707 995988399 /nfs/dbraw/zinc/98/83/99/995988399.db2.gz VCCMAJVQSAWVBE-HUUCEWRRSA-N -1 3 381.432 3.482 20 0 GGADHM CC(C)[C@H](CNCc1ccccc1O[C@H](C)C(=O)[O-])ONC(=O)OC(C)(C)C ZINC001593646979 995991019 /nfs/dbraw/zinc/99/10/19/995991019.db2.gz YHNQTBGVDFGVOR-PBHICJAKSA-N -1 3 396.484 3.109 20 0 GGADHM C[C@@H](Oc1ccccc1CNCCOc1ccc(Br)cc1)C(=O)[O-] ZINC001593649341 996001941 /nfs/dbraw/zinc/00/19/41/996001941.db2.gz SIHNHHBYNRWYMW-CYBMUJFWSA-N -1 3 394.265 3.470 20 0 GGADHM C[C@H](Oc1ccccc1CNCCOc1cccc(Br)c1)C(=O)[O-] ZINC001593649425 996002576 /nfs/dbraw/zinc/00/25/76/996002576.db2.gz UUHITTWWQAJURD-ZDUSSCGKSA-N -1 3 394.265 3.470 20 0 GGADHM COC(=O)[C@H]1CCC[C@H]1NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598790594 996069259 /nfs/dbraw/zinc/06/92/59/996069259.db2.gz LJJHNJVXFHPUJV-RBUKOAKNSA-N -1 3 383.444 3.395 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001593690135 996135468 /nfs/dbraw/zinc/13/54/68/996135468.db2.gz NZDLGVVNZZJEAE-WDEREUQCSA-N -1 3 380.242 3.471 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593693104 996142309 /nfs/dbraw/zinc/14/23/09/996142309.db2.gz JJJGTQXYKTYVGQ-RBZFPXEDSA-N -1 3 382.451 3.497 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C(=O)[O-])C1 ZINC001598803694 996163869 /nfs/dbraw/zinc/16/38/69/996163869.db2.gz NUSAULLVRDCZCN-WMZOPIPTSA-N -1 3 384.432 3.021 20 0 GGADHM COC(=O)[C@H]1CCN(Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC001598803692 996164215 /nfs/dbraw/zinc/16/42/15/996164215.db2.gz NUSAULLVRDCZCN-FUHWJXTLSA-N -1 3 384.432 3.021 20 0 GGADHM COC(=O)[C@@H]1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)[C@H](C(=O)[O-])C1 ZINC001598806030 996187366 /nfs/dbraw/zinc/18/73/66/996187366.db2.gz YRZXHCQROAEWEE-BEFAXECRSA-N -1 3 387.407 3.456 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711705 996213509 /nfs/dbraw/zinc/21/35/09/996213509.db2.gz WWYPOCAUSHLQGE-VQIMIIECSA-N -1 3 397.475 3.497 20 0 GGADHM C[C@H](c1ccccc1F)N1CCC[C@H](NCc2cc(C(=O)[O-])cs2)C1=O ZINC001593717674 996236944 /nfs/dbraw/zinc/23/69/44/996236944.db2.gz PVZUDOUMOWNHCO-PXAZEXFGSA-N -1 3 376.453 3.427 20 0 GGADHM CC1(C)C(=O)N[C@H]1C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001593822833 996563168 /nfs/dbraw/zinc/56/31/68/996563168.db2.gz PRFYVYRZRWYGPA-GJZGRUSLSA-N -1 3 384.398 3.068 20 0 GGADHM COC(=O)C[C@H]1CCCN1Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598846163 996568118 /nfs/dbraw/zinc/56/81/18/996568118.db2.gz DOSKDDYRJSECSL-LJQANCHMSA-N -1 3 383.444 3.491 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])[C@H]2CCO[C@H]21 ZINC001593835071 996587239 /nfs/dbraw/zinc/58/72/39/996587239.db2.gz JFXNEJRLLXHTSU-DFKRKDTASA-N -1 3 387.263 3.033 20 0 GGADHM CC1(C)[C@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])[C@H]2CCO[C@@H]21 ZINC001593835074 996587267 /nfs/dbraw/zinc/58/72/67/996587267.db2.gz JFXNEJRLLXHTSU-ZWZTZDBGSA-N -1 3 387.263 3.033 20 0 GGADHM COC(=O)CCC1CCN(Cc2c(Br)cccc2C(=O)[O-])CC1 ZINC001598850221 996597308 /nfs/dbraw/zinc/59/73/08/996597308.db2.gz FLINZQIRMKOJFE-UHFFFAOYSA-N -1 3 384.270 3.313 20 0 GGADHM COC(=O)Cc1ccccc1CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598872700 996744565 /nfs/dbraw/zinc/74/45/65/996744565.db2.gz HLNYRMROZAFPRG-SFHVURJKSA-N -1 3 381.350 3.077 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC001599379379 996807021 /nfs/dbraw/zinc/80/70/21/996807021.db2.gz GCOQNDYYACMNIE-RISCZKNCSA-N -1 3 397.830 3.276 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC(c2ccsc2)CC1 ZINC001599380467 996831495 /nfs/dbraw/zinc/83/14/95/996831495.db2.gz IQACARXTSUMABW-QGZVFWFLSA-N -1 3 391.489 3.074 20 0 GGADHM COCc1c(C)cc(C)c(CN[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)c1C ZINC001599278252 996847226 /nfs/dbraw/zinc/84/72/26/996847226.db2.gz JDXFZBDZHHJUDS-OAQYLSRUSA-N -1 3 396.487 3.500 20 0 GGADHM COC[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)[O-] ZINC001599177163 996870833 /nfs/dbraw/zinc/87/08/33/996870833.db2.gz VYTGITDUCLIQEC-INIZCTEOSA-N -1 3 397.258 3.435 20 0 GGADHM COCc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)cc(C(=O)[O-])c1 ZINC001599286817 996993599 /nfs/dbraw/zinc/99/35/99/996993599.db2.gz WJUXKLJZNDWNAL-UHFFFAOYSA-N -1 3 375.469 3.013 20 0 GGADHM COCc1cc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001599287184 997000033 /nfs/dbraw/zinc/00/00/33/997000033.db2.gz HLCDNPYGROOQDR-MOPGFXCFSA-N -1 3 383.448 3.098 20 0 GGADHM COCc1cc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599287410 997004170 /nfs/dbraw/zinc/00/41/70/997004170.db2.gz MWSPCAYETZHTCN-HNAYVOBHSA-N -1 3 397.475 3.488 20 0 GGADHM COCc1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)cc(C(=O)[O-])c1 ZINC001599288152 997017574 /nfs/dbraw/zinc/01/75/74/997017574.db2.gz ZJCGHYOUXDYKEV-IBGZPJMESA-N -1 3 397.475 3.236 20 0 GGADHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1OCCO ZINC001599390071 997018163 /nfs/dbraw/zinc/01/81/63/997018163.db2.gz WNQZADUDGFWFBQ-XIKOKIGWSA-N -1 3 379.840 3.196 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001599498726 997069456 /nfs/dbraw/zinc/06/94/56/997069456.db2.gz GMUUISLZYUDQGG-DZGCQCFKSA-N -1 3 378.469 3.129 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC001599500636 997111643 /nfs/dbraw/zinc/11/16/43/997111643.db2.gz VWACLLAQTNVHOT-MRXNPFEDSA-N -1 3 384.480 3.091 20 0 GGADHM COC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1c1ccccc1 ZINC001598897737 997112605 /nfs/dbraw/zinc/11/26/05/997112605.db2.gz ISCWMHBNGFOCGH-IYOUNJFTSA-N -1 3 391.826 3.493 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001599500959 997119226 /nfs/dbraw/zinc/11/92/26/997119226.db2.gz NEGDDNARMWTVQU-INIZCTEOSA-N -1 3 378.469 3.271 20 0 GGADHM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001599395863 997124321 /nfs/dbraw/zinc/12/43/21/997124321.db2.gz BVQOBDGWLQGWJX-IZTUGPKFSA-N -1 3 381.428 3.221 20 0 GGADHM COC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])c(C)o2)C[C@H]1c1ccc(Cl)cc1 ZINC001598898448 997124816 /nfs/dbraw/zinc/12/48/16/997124816.db2.gz CDLWSKFFNPARHA-DLBZAZTESA-N -1 3 377.824 3.328 20 0 GGADHM COc1ccc(C(=O)[O-])cc1CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC001599501797 997137205 /nfs/dbraw/zinc/13/72/05/997137205.db2.gz WXNVGBMDDRRNFG-MRXNPFEDSA-N -1 3 380.485 3.422 20 0 GGADHM CC1(C)OCc2cc(CN[C@@H]3CCc4cc(C(=O)[O-])ccc4NC3=O)ccc2O1 ZINC001593980889 997196020 /nfs/dbraw/zinc/19/60/20/997196020.db2.gz OJVXATQJOGOCPL-GOSISDBHSA-N -1 3 396.443 3.073 20 0 GGADHM CC1([C@H]2CCCN(Cc3ccc(C(=O)[O-])cc3Br)C2)OCCO1 ZINC001593993889 997286632 /nfs/dbraw/zinc/28/66/32/997286632.db2.gz ZULGLFYXGKMRLZ-AWEZNQCLSA-N -1 3 384.270 3.122 20 0 GGADHM COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(Cc2c3ccccc3[nH]c2C(=O)[O-])C1 ZINC001598907269 997288438 /nfs/dbraw/zinc/28/84/38/997288438.db2.gz HZLQUZJDQJJDKY-WDEREUQCSA-N -1 3 384.354 3.040 20 0 GGADHM COc1ccc([C@@H](C)NCC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)cc1 ZINC001599511513 997306607 /nfs/dbraw/zinc/30/66/07/997306607.db2.gz VDQBBFKQGHEZEN-JLTOFOAXSA-N -1 3 395.459 3.081 20 0 GGADHM COc1ccc([C@@H](C)NCC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)cc1 ZINC001599511517 997307117 /nfs/dbraw/zinc/30/71/17/997307117.db2.gz VDQBBFKQGHEZEN-VLIAUNLRSA-N -1 3 395.459 3.081 20 0 GGADHM COc1cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407172 997333126 /nfs/dbraw/zinc/33/31/26/997333126.db2.gz OTYOQFUTAZKOLB-IKDJWVMYSA-N -1 3 389.448 3.014 20 0 GGADHM COc1cc(CN2CC[C@H]([C@@H]3CCOC3)C2)c(Br)cc1C(=O)[O-] ZINC001599407141 997333619 /nfs/dbraw/zinc/33/36/19/997333619.db2.gz OERLCWQHRJQUAR-NWDGAFQWSA-N -1 3 384.270 3.014 20 0 GGADHM COc1cc(CN2CCN(C)[C@H](C)[C@@H]2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407700 997356152 /nfs/dbraw/zinc/35/61/52/997356152.db2.gz QFJACUWCBADINX-CABCVRRESA-N -1 3 388.464 3.090 20 0 GGADHM COc1cc(CN2CCN(C)[C@H](C)[C@H]2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407702 997357142 /nfs/dbraw/zinc/35/71/42/997357142.db2.gz QFJACUWCBADINX-HUUCEWRRSA-N -1 3 388.464 3.090 20 0 GGADHM COc1cc(CN2CCCCC[C@@H]2CCO)c(Br)cc1C(=O)[O-] ZINC001599407880 997359817 /nfs/dbraw/zinc/35/98/17/997359817.db2.gz UBZCBLBPUJVPPS-CYBMUJFWSA-N -1 3 386.286 3.283 20 0 GGADHM COc1cc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Br)cc1C(=O)[O-] ZINC001599407984 997363830 /nfs/dbraw/zinc/36/38/30/997363830.db2.gz YQLFELIOSCWMLO-APHBMKBZSA-N -1 3 398.297 3.281 20 0 GGADHM COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1OC(=O)C1CC1 ZINC001599408717 997380538 /nfs/dbraw/zinc/38/05/38/997380538.db2.gz MTVGPDHBCROZKN-SFHVURJKSA-N -1 3 381.428 3.022 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001599516199 997390664 /nfs/dbraw/zinc/39/06/64/997390664.db2.gz LUQCIGBPSOTTDH-XUVXKRRUSA-N -1 3 397.475 3.308 20 0 GGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599516393 997395727 /nfs/dbraw/zinc/39/57/27/997395727.db2.gz MYDFBUULTMSXGK-LJQANCHMSA-N -1 3 386.423 3.099 20 0 GGADHM COc1ccc([C@H](CN[C@H](C)c2ncc(C(=O)[O-])s2)N2CCCC2)cc1 ZINC001599516833 997404228 /nfs/dbraw/zinc/40/42/28/997404228.db2.gz QPQPNJHWDWUABE-CJNGLKHVSA-N -1 3 375.494 3.338 20 0 GGADHM COc1cc(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC001599413853 997470088 /nfs/dbraw/zinc/47/00/88/997470088.db2.gz QOKNPVUOKAXVQK-QAPCUYQASA-N -1 3 397.475 3.028 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1OC(=O)C1CC1 ZINC001599414396 997478987 /nfs/dbraw/zinc/47/89/87/997478987.db2.gz CAEJYJYVSNRSIR-IBGZPJMESA-N -1 3 387.407 3.374 20 0 GGADHM COc1ccc([C@H](N[C@@H](C)CC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1O ZINC001599527522 997587161 /nfs/dbraw/zinc/58/71/61/997587161.db2.gz IDRZNELKEMEFCX-VOJFVSQTSA-N -1 3 392.839 3.187 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001599527886 997595532 /nfs/dbraw/zinc/59/55/32/997595532.db2.gz LOGZTEGJWYYKDG-FPOVZHCZSA-N -1 3 384.476 3.375 20 0 GGADHM COc1ccc([C@@H](NCCN(C(=O)OC(C)(C)C)C(C)(C)C)C(=O)[O-])cc1O ZINC001599528469 997605722 /nfs/dbraw/zinc/60/57/22/997605722.db2.gz XZBRFTGUFFATFW-MRXNPFEDSA-N -1 3 396.484 3.152 20 0 GGADHM COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001599528758 997611130 /nfs/dbraw/zinc/61/11/30/997611130.db2.gz RMGOGKFZAGDCJS-OALUTQOASA-N -1 3 376.497 3.132 20 0 GGADHM COc1ccc([C@@H](O)C2CCN(Cc3ccccc3OCC(=O)[O-])CC2)cc1 ZINC001599530915 997651132 /nfs/dbraw/zinc/65/11/32/997651132.db2.gz BEMURCZDLQGAEJ-JOCHJYFZSA-N -1 3 385.460 3.104 20 0 GGADHM COC(=O)c1cc(C2CCN([C@H](C(=O)[O-])c3ccccc3Cl)CC2)no1 ZINC001598928026 997686694 /nfs/dbraw/zinc/68/66/94/997686694.db2.gz HRMPBCDLFHVGTH-INIZCTEOSA-N -1 3 378.812 3.120 20 0 GGADHM COc1ccc([C@@H](NCc2ccc3c(c2)CCC(=O)N3C)C(=O)[O-])cc1Cl ZINC001599532754 997686744 /nfs/dbraw/zinc/68/67/44/997686744.db2.gz VRFMQBYDWFTPAY-LJQANCHMSA-N -1 3 388.851 3.173 20 0 GGADHM COC(=O)c1cc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598929275 997711871 /nfs/dbraw/zinc/71/18/71/997711871.db2.gz FRKCHUVXJVWNMQ-LJQANCHMSA-N -1 3 387.407 3.009 20 0 GGADHM COC(=O)c1cc(CN[C@H](c2cccs2)C2(CO)CCC2)cc(C(=O)[O-])c1 ZINC001598929991 997729793 /nfs/dbraw/zinc/72/97/93/997729793.db2.gz IXFOUZNUTRSPQW-QGZVFWFLSA-N -1 3 389.473 3.226 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc(C(=O)[O-])c1 ZINC001598930254 997735908 /nfs/dbraw/zinc/73/59/08/997735908.db2.gz KSBJJPAXJYMABI-ZDUSSCGKSA-N -1 3 397.406 3.347 20 0 GGADHM COC(=O)c1cc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc(C(=O)[O-])c1 ZINC001598930568 997744356 /nfs/dbraw/zinc/74/43/56/997744356.db2.gz QJOOLRSLINLBRS-FQEVSTJZSA-N -1 3 399.443 3.430 20 0 GGADHM C[C@]1(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC[C@H]1C(=O)[O-] ZINC001594051762 997747639 /nfs/dbraw/zinc/74/76/39/997747639.db2.gz KVOIMXBRRAHCFB-ZWOKBUDYSA-N -1 3 394.462 3.294 20 0 GGADHM COc1cc(NC(=O)N(CCCc2ccccc2)CCN(C)C)ccc1C(=O)[O-] ZINC001599433838 997806813 /nfs/dbraw/zinc/80/68/13/997806813.db2.gz LJIZYRVRMGIQCP-UHFFFAOYSA-N -1 3 399.491 3.422 20 0 GGADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)n(C)c1C ZINC001598933384 997814318 /nfs/dbraw/zinc/81/43/18/997814318.db2.gz YMRYKGOHVRHFNS-OAHLLOKOSA-N -1 3 384.354 3.054 20 0 GGADHM COc1cc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)ccc1C(=O)[O-] ZINC001599437092 997867265 /nfs/dbraw/zinc/86/72/65/997867265.db2.gz GSJKZOQVOZMYBY-OAHLLOKOSA-N -1 3 389.477 3.414 20 0 GGADHM COCCN(C)c1ccc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cn1 ZINC001599231596 997867385 /nfs/dbraw/zinc/86/73/85/997867385.db2.gz VUSAVXYYRPXZJA-UHFFFAOYSA-N -1 3 397.519 3.317 20 0 GGADHM COc1c(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599338039 997871906 /nfs/dbraw/zinc/87/19/06/997871906.db2.gz FZPYQZCYRJMUKH-INIZCTEOSA-N -1 3 383.448 3.132 20 0 GGADHM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001599543959 997891969 /nfs/dbraw/zinc/89/19/69/997891969.db2.gz PSAWNKFOSPJSQA-IQBZNYMQSA-N -1 3 381.428 3.221 20 0 GGADHM CC1(c2cccc(Cl)c2)CCN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001594073010 997927239 /nfs/dbraw/zinc/92/72/39/997927239.db2.gz IDZPRYGZJNSYNQ-QGZVFWFLSA-N -1 3 378.900 3.159 20 0 GGADHM COC(=O)c1cc(NC(=O)CN2CCCC[C@@H]2CC2CCC2)cc(C(=O)[O-])c1 ZINC001598939179 997930371 /nfs/dbraw/zinc/93/03/71/997930371.db2.gz KJUMUKNDUGBYKZ-GOSISDBHSA-N -1 3 388.464 3.155 20 0 GGADHM COCCN(Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccc2c(c1)OCO2 ZINC001599237469 997970812 /nfs/dbraw/zinc/97/08/12/997970812.db2.gz AHXJNZBFFNCJRH-UHFFFAOYSA-N -1 3 382.416 3.243 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001599450117 998078716 /nfs/dbraw/zinc/07/87/16/998078716.db2.gz BLTCPMVJDACITH-KRWDZBQOSA-N -1 3 395.358 3.283 20 0 GGADHM COc1cc(OC)cc([C@@H](O)CNCc2ccc(-c3ccccc3C(=O)[O-])o2)c1 ZINC001599454447 998164268 /nfs/dbraw/zinc/16/42/68/998164268.db2.gz RQDROBMORGWLPM-FQEVSTJZSA-N -1 3 397.427 3.485 20 0 GGADHM COc1ccc(CN2CCCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)cc1 ZINC001599561030 998194697 /nfs/dbraw/zinc/19/46/97/998194697.db2.gz BGKOCWUNMDRFMZ-GOSISDBHSA-N -1 3 398.503 3.255 20 0 GGADHM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(CN3CCCCC3)c2)c1O ZINC001599361257 998264988 /nfs/dbraw/zinc/26/49/88/998264988.db2.gz DBKKXJSFYBNJAY-UHFFFAOYSA-N -1 3 384.432 3.337 20 0 GGADHM COc1ccc(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567783 998314846 /nfs/dbraw/zinc/31/48/46/998314846.db2.gz MWDCLQHGYLVXGS-QAPCUYQASA-N -1 3 397.475 3.028 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N[C@H](C)c2ccccc2C)c1 ZINC001598960226 998315859 /nfs/dbraw/zinc/31/58/59/998315859.db2.gz DTOHCMRASJVYRW-KGLIPLIRSA-N -1 3 384.432 3.158 20 0 GGADHM COc1cc2c(cc1CN[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)O[C@@H](C)C2 ZINC001599463664 998319505 /nfs/dbraw/zinc/31/95/05/998319505.db2.gz SKTLPTHUZWFQKZ-KGLIPLIRSA-N -1 3 398.459 3.224 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC[C@@H](C(C)C)CC2)c1 ZINC001598960873 998327433 /nfs/dbraw/zinc/32/74/33/998327433.db2.gz MZWXJFWZKBKARS-LSDHHAIUSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC[C@H](C(C)C)CC2)c1 ZINC001598960870 998328135 /nfs/dbraw/zinc/32/81/35/998328135.db2.gz MZWXJFWZKBKARS-CABCVRRESA-N -1 3 390.480 3.257 20 0 GGADHM COc1ccc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1O ZINC001599571590 998373979 /nfs/dbraw/zinc/37/39/79/998373979.db2.gz RUQKFWDUZSHKCP-KRWDZBQOSA-N -1 3 380.238 3.253 20 0 GGADHM COc1cc2ccccc2cc1-c1nnc(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)o1 ZINC001599466891 998378762 /nfs/dbraw/zinc/37/87/62/998378762.db2.gz WMBHUVUWQFFQHQ-CZUORRHYSA-N -1 3 381.432 3.441 20 0 GGADHM COc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1OC(F)F ZINC001599573224 998399739 /nfs/dbraw/zinc/39/97/39/998399739.db2.gz WKLHZNLATAGKRC-UHFFFAOYSA-N -1 3 380.391 3.422 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)s1 ZINC001598965127 998402163 /nfs/dbraw/zinc/40/21/63/998402163.db2.gz IJYMDWWBHRCCEU-VXGBXAGGSA-N -1 3 390.461 3.219 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001599370793 998407077 /nfs/dbraw/zinc/40/70/77/998407077.db2.gz LBFQOVKEVAEJEB-UHFFFAOYSA-N -1 3 385.464 3.298 20 0 GGADHM COc1ccc(-c2ccccc2C)cc1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599468976 998416298 /nfs/dbraw/zinc/41/62/98/998416298.db2.gz YQSCBUUMRJWYCC-GOSISDBHSA-N -1 3 392.459 3.407 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001599372867 998439267 /nfs/dbraw/zinc/43/92/67/998439267.db2.gz RLFCJVSSOCXKRW-RHSMWYFYSA-N -1 3 383.448 3.178 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001599372868 998439500 /nfs/dbraw/zinc/43/95/00/998439500.db2.gz RLFCJVSSOCXKRW-WMLDXEAASA-N -1 3 383.448 3.178 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001599372866 998439526 /nfs/dbraw/zinc/43/95/26/998439526.db2.gz RLFCJVSSOCXKRW-PBHICJAKSA-N -1 3 383.448 3.178 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC001599577936 998476169 /nfs/dbraw/zinc/47/61/69/998476169.db2.gz JNDHWKIEHWBMJN-NSHDSACASA-N -1 3 380.828 3.455 20 0 GGADHM COc1ccc(Cl)cc1[C@H](O)CNCc1ccccc1O[C@H](C)C(=O)[O-] ZINC001599578877 998492516 /nfs/dbraw/zinc/49/25/16/998492516.db2.gz GPWQPAOQGJOWOY-MLGOLLRUSA-N -1 3 379.840 3.024 20 0 GGADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1Br ZINC001598971609 998526036 /nfs/dbraw/zinc/52/60/36/998526036.db2.gz CZSGWVZANJRKNA-ZDUSSCGKSA-N -1 3 384.251 3.213 20 0 GGADHM COc1ccc(Cn2nc(C)c(CN3CCC4(C[C@H]4C(=O)[O-])CC3)c2C)cc1 ZINC001599581001 998530381 /nfs/dbraw/zinc/53/03/81/998530381.db2.gz VAYYTQUATLUUJZ-FQEVSTJZSA-N -1 3 383.492 3.244 20 0 GGADHM COc1ccc(F)cc1-c1cncc(CN2CCSC[C@H](C(=O)[O-])C2)c1 ZINC001599582163 998549870 /nfs/dbraw/zinc/54/98/70/998549870.db2.gz LFMDZBDLOQSKSW-OAHLLOKOSA-N -1 3 376.453 3.146 20 0 GGADHM COC(=O)c1ccc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1F ZINC001598974913 998585920 /nfs/dbraw/zinc/58/59/20/998585920.db2.gz VXCZQOQSYNWMHX-JKSUJKDBSA-N -1 3 393.361 3.191 20 0 GGADHM COC(=O)c1ccc(CNCc2ccc(CC(=O)[O-])cc2)cc1Br ZINC001598976085 998601543 /nfs/dbraw/zinc/60/15/43/998601543.db2.gz UUQRQTTWCGXDLX-UHFFFAOYSA-N -1 3 392.249 3.153 20 0 GGADHM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166016 998622752 /nfs/dbraw/zinc/62/27/52/998622752.db2.gz MGZWTHVSMSIPQW-LXGCGDOSSA-N -1 3 386.879 3.341 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCN1Cc1ccccc1 ZINC001594190743 998742099 /nfs/dbraw/zinc/74/20/99/998742099.db2.gz MAZVETQXABHDTC-IIBYNOLFSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1[C@@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCN1Cc1ccccc1 ZINC001594190744 998742295 /nfs/dbraw/zinc/74/22/95/998742295.db2.gz MAZVETQXABHDTC-KKSFZXQISA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCN1Cc1ccccc1 ZINC001594191302 998747298 /nfs/dbraw/zinc/74/72/98/998747298.db2.gz VQKAITDCVRELRZ-KKSFZXQISA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCN1Cc1ccccc1 ZINC001594191600 998749498 /nfs/dbraw/zinc/74/94/98/998749498.db2.gz AZKHTYLWVVMVCL-SUMWQHHRSA-N -1 3 393.447 3.046 20 0 GGADHM COC(=O)c1cccc([C@@H](NCc2ccc(F)cc2CSC)C(=O)[O-])c1 ZINC001598994508 998766819 /nfs/dbraw/zinc/76/68/19/998766819.db2.gz GFPCJUDPJSDUNL-QGZVFWFLSA-N -1 3 377.437 3.391 20 0 GGADHM COC(=O)c1cccc([C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)[O-])c1 ZINC001598998593 998803617 /nfs/dbraw/zinc/80/36/17/998803617.db2.gz QOTUFEVAYNBJKP-WOJBJXKFSA-N -1 3 397.427 3.111 20 0 GGADHM COC(=O)c1cnc([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3F)C2)s1 ZINC001599009607 998886340 /nfs/dbraw/zinc/88/63/40/998886340.db2.gz QXFRXVJOOZEIHZ-IAQYHMDHSA-N -1 3 378.425 3.074 20 0 GGADHM COC(=O)c1cnc(CC2CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)s1 ZINC001599010049 998890504 /nfs/dbraw/zinc/89/05/04/998890504.db2.gz WRIBIFWKDFPNLT-OAHLLOKOSA-N -1 3 380.491 3.072 20 0 GGADHM C[C@H]1C[C@@H](CNC(C)(C)c2cc(C(=O)[O-])on2)CCN1C(=O)OC(C)(C)C ZINC001594244576 998930679 /nfs/dbraw/zinc/93/06/79/998930679.db2.gz XQCGMCBGKUEXIZ-STQMWFEESA-N -1 3 381.473 3.233 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CN1Cc1ccccc1 ZINC001594253640 998976738 /nfs/dbraw/zinc/97/67/38/998976738.db2.gz ROXLEROWQMSLIY-IIBYNOLFSA-N -1 3 393.487 3.116 20 0 GGADHM COC(=O)c1sccc1CN[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001599023927 999002517 /nfs/dbraw/zinc/00/25/17/999002517.db2.gz PTQNOOKBBPYIHH-ZDUSSCGKSA-N -1 3 398.278 3.083 20 0 GGADHM CO[C@H](C)c1nc(CN2CCCN([C@@H](C(=O)[O-])c3ccsc3)CC2)cs1 ZINC001599041411 999120301 /nfs/dbraw/zinc/12/03/01/999120301.db2.gz AGWRYPZCODXIGU-CZUORRHYSA-N -1 3 395.550 3.246 20 0 GGADHM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1[C@H](C)CC[C@@H]1C ZINC001594300482 999160468 /nfs/dbraw/zinc/16/04/68/999160468.db2.gz SGWMXHXOCDLEHA-ZAZJYDDPSA-N -1 3 388.386 3.088 20 0 GGADHM C[C@@H]1CC[C@@H](NCc2ccccc2OCC(=O)[O-])CN1C(=O)OC(C)(C)C ZINC001594321969 999239292 /nfs/dbraw/zinc/23/92/92/999239292.db2.gz YIQQFMHAAZIMGF-GDBMZVCRSA-N -1 3 378.469 3.028 20 0 GGADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1 ZINC001594356142 999344161 /nfs/dbraw/zinc/34/41/61/999344161.db2.gz RYNAYTYJDJHVCX-ZWKOTPCHSA-N -1 3 382.545 3.150 20 0 GGADHM C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C[C@]1(C)C(=O)[O-] ZINC001594412523 999541205 /nfs/dbraw/zinc/54/12/05/999541205.db2.gz OIHBWQNTPWZPNP-FTRWYGJKSA-N -1 3 393.553 3.273 20 0 GGADHM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001594412532 999541648 /nfs/dbraw/zinc/54/16/48/999541648.db2.gz OLYFVPVCSXLMSN-BZUAXINKSA-N -1 3 379.526 3.026 20 0 GGADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2Br)C[C@H]1n1ccnc1 ZINC001594412618 999542095 /nfs/dbraw/zinc/54/20/95/999542095.db2.gz POOQXIZRGIWGRN-WQVCFCJDSA-N -1 3 378.270 3.354 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c2ccccc2)CC1 ZINC001594412688 999542615 /nfs/dbraw/zinc/54/26/15/999542615.db2.gz RBSCDSQTRWPKLN-KNQAVFIVSA-N -1 3 387.524 3.356 20 0 GGADHM C[C@@H]1CCc2c(sc3nc(CN4C[C@@H]5CCC[C@@H]5[C@@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444158 999632750 /nfs/dbraw/zinc/63/27/50/999632750.db2.gz NIJQHEPFWSYRTD-XSLLRJJBSA-N -1 3 386.521 3.083 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CN[C@H](CO)C3CCCCC3)c2C(=O)[O-])C1 ZINC001594444581 999634591 /nfs/dbraw/zinc/63/45/91/999634591.db2.gz VCNNZZGNUFZLRB-SWLSCSKDSA-N -1 3 394.537 3.040 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1cnc(-c2c(F)cccc2F)s1)C(=O)[O-] ZINC000417665659 1126080944 /nfs/dbraw/zinc/08/09/44/1126080944.db2.gz QMQAZGMNEWIJCG-ZDUSSCGKSA-N -1 3 398.431 3.363 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(-c2ccccc2)s1 ZINC000426764707 1126089234 /nfs/dbraw/zinc/08/92/34/1126089234.db2.gz YENKEXJUFJCVEB-ZDUSSCGKSA-N -1 3 396.394 3.268 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1csc(-c2ccsc2)n1 ZINC000426783317 1126090248 /nfs/dbraw/zinc/09/02/48/1126090248.db2.gz JGLVAEMMFKYJKQ-AWEZNQCLSA-N -1 3 388.470 3.386 20 0 GGADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(Cl)ccc1Cl ZINC000426741344 1126085659 /nfs/dbraw/zinc/08/56/59/1126085659.db2.gz KYXHQUGEQVWGRO-KRWDZBQOSA-N -1 3 391.258 3.360 20 0 GGADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1c(Cl)oc2ccccc21 ZINC000426756446 1126087896 /nfs/dbraw/zinc/08/78/96/1126087896.db2.gz KCIWCGIWBMGLOO-QGZVFWFLSA-N -1 3 396.834 3.452 20 0 GGADHM CCc1[nH]nc(Cl)c1CN[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000900042572 1126128266 /nfs/dbraw/zinc/12/82/66/1126128266.db2.gz DPVHNKQQKLDWLJ-CYBMUJFWSA-N -1 3 391.777 3.310 20 0 GGADHM CC(C)Oc1cc(Cl)c(CN[C@H](Cc2ccncn2)C(=O)[O-])cc1Cl ZINC001118978540 1126146974 /nfs/dbraw/zinc/14/69/74/1126146974.db2.gz CQMVLACDBSKZNQ-OAHLLOKOSA-N -1 3 384.263 3.356 20 0 GGADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1ccc(-c2c(F)cccc2F)o1 ZINC001255794496 1126160584 /nfs/dbraw/zinc/16/05/84/1126160584.db2.gz UWRXVQYILNSKAN-CQSZACIVSA-N -1 3 381.766 3.318 20 0 GGADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@@H](Cc1ncccn1)C(=O)[O-] ZINC001261503640 1126160773 /nfs/dbraw/zinc/16/07/73/1126160773.db2.gz HJFAMRVSNOPGGI-INIZCTEOSA-N -1 3 399.882 3.225 20 0 GGADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H](Cc1ncccn1)C(=O)[O-] ZINC001261503641 1126160775 /nfs/dbraw/zinc/16/07/75/1126160775.db2.gz HJFAMRVSNOPGGI-MRXNPFEDSA-N -1 3 399.882 3.225 20 0 GGADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1ccc(-c2cccc(F)c2F)o1 ZINC001321925128 1126171899 /nfs/dbraw/zinc/17/18/99/1126171899.db2.gz PKRHOJUGLDVEFC-CQSZACIVSA-N -1 3 381.766 3.318 20 0 GGADHM Cc1ccc(-c2ncc(CN[C@H](Cn3cc(Cl)cn3)C(=O)[O-])s2)cc1 ZINC001326322676 1126172999 /nfs/dbraw/zinc/17/29/99/1126172999.db2.gz AKIGXJYREIGYAU-OAHLLOKOSA-N -1 3 376.869 3.211 20 0 GGADHM CC(C)Oc1cc(Cl)c(CN[C@@H](Cc2ncccn2)C(=O)[O-])cc1Cl ZINC001348501534 1126182634 /nfs/dbraw/zinc/18/26/34/1126182634.db2.gz FDGUXGCWNAHWRJ-AWEZNQCLSA-N -1 3 384.263 3.356 20 0 GGADHM Cc1cc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)oc1C(=O)[O-] ZINC001600205056 1126218250 /nfs/dbraw/zinc/21/82/50/1126218250.db2.gz MJGNJIIKJYGASS-QGZVFWFLSA-N -1 3 382.254 3.132 20 0 GGADHM Cc1nc(CN[C@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)c(C)o1 ZINC001600702184 1126219916 /nfs/dbraw/zinc/21/99/16/1126219916.db2.gz KHORSBSBKIHMCI-QGZVFWFLSA-N -1 3 379.254 3.156 20 0 GGADHM Cn1nc(C(F)(F)F)c(CN[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1Cl ZINC001601007734 1126221495 /nfs/dbraw/zinc/22/14/95/1126221495.db2.gz ZIMFRAZZZZCIKP-OAHLLOKOSA-N -1 3 393.768 3.407 20 0 GGADHM O=C([O-])[C@H](Cc1cncs1)NCc1cc(Cl)ccc1Br ZINC001601662003 1126225368 /nfs/dbraw/zinc/22/53/68/1126225368.db2.gz IGGSNVHYHQDCPS-LBPRGKRZSA-N -1 3 375.675 3.345 20 0 GGADHM O=C([O-])[C@]1(NCc2c(F)cncc2F)CCc2cc(Br)ccc2C1 ZINC001601721028 1126226552 /nfs/dbraw/zinc/22/65/52/1126226552.db2.gz ZBYYEQRBLNFOEW-KRWDZBQOSA-N -1 3 397.219 3.224 20 0 GGADHM C[C@@](Cc1ccc(F)cc1)(NCc1ccn(CCc2ccccc2)n1)C(=O)[O-] ZINC001604222660 1126228479 /nfs/dbraw/zinc/22/84/79/1126228479.db2.gz IFNWKHGZMKAWLL-QFIPXVFZSA-N -1 3 381.451 3.441 20 0 GGADHM Cc1ccc(C[C@@H](NCc2nn(-c3ccccc3)c3c2CCC3)C(=O)[O-])cc1 ZINC001610499849 1126239524 /nfs/dbraw/zinc/23/95/24/1126239524.db2.gz PJSLEZUXVSOBKZ-HXUWFJFHSA-N -1 3 375.472 3.455 20 0 GGADHM O=C(c1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)N1CCCCC1 ZINC000016720623 210194413 /nfs/dbraw/zinc/19/44/13/210194413.db2.gz GEWNPGNXLGZOTP-NBVRZTHBSA-N -1 3 375.428 3.036 20 0 GGADHM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000015940824 210179683 /nfs/dbraw/zinc/17/96/83/210179683.db2.gz XSFHGLAPLCXISZ-UHFFFAOYSA-N -1 3 397.456 3.255 20 0 GGADHM CON(C)C(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000014060803 210101281 /nfs/dbraw/zinc/10/12/81/210101281.db2.gz NAOSKAUWVVTKCD-NSHDSACASA-N -1 3 389.502 3.293 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1F ZINC000012883394 210023193 /nfs/dbraw/zinc/02/31/93/210023193.db2.gz JUFBNEQIJFUFKU-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COc1ccc(-c2nc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)sc2C)cc1 ZINC000012856611 210018965 /nfs/dbraw/zinc/01/89/65/210018965.db2.gz JTXCZFRIGSEPAP-UHFFFAOYSA-N -1 3 398.488 3.399 20 0 GGADHM COc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012759255 210003498 /nfs/dbraw/zinc/00/34/98/210003498.db2.gz HULWXFZOEWXFFB-OAHLLOKOSA-N -1 3 397.475 3.079 20 0 GGADHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)OCc1ccccc1 ZINC000002717748 209378484 /nfs/dbraw/zinc/37/84/84/209378484.db2.gz DEKCOGDWMGMJQR-UHFFFAOYSA-N -1 3 392.440 3.357 20 0 GGADHM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000002656401 209375070 /nfs/dbraw/zinc/37/50/70/209375070.db2.gz IQBWDYBAYDYPSQ-UHFFFAOYSA-N -1 3 375.233 3.148 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCSCC3)c2)cc1 ZINC000053802818 212057520 /nfs/dbraw/zinc/05/75/20/212057520.db2.gz NESRGOXDYAHWGS-UHFFFAOYSA-N -1 3 390.530 3.293 20 0 GGADHM O=S(=O)([N-]c1ccccc1I)c1cc(F)cc(F)c1 ZINC000016101373 209173698 /nfs/dbraw/zinc/17/36/98/209173698.db2.gz MZZSPFMXDHCDAV-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM C[C@]1(c2cccc(C(=O)Nc3nc(-c4cccs4)cs3)c2)NC(=O)[N-]C1=O ZINC000097019217 211355306 /nfs/dbraw/zinc/35/53/06/211355306.db2.gz LPSAMWCXJXKTQG-GOSISDBHSA-N -1 3 398.469 3.179 20 0 GGADHM O=C(N[C@@H]1C=CCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000097014365 211354837 /nfs/dbraw/zinc/35/48/37/211354837.db2.gz PUEJZGMLDQJHAE-SNVBAGLBSA-N -1 3 389.304 3.273 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3C)cs2)c(C)o1 ZINC000095964304 211289690 /nfs/dbraw/zinc/28/96/90/211289690.db2.gz CAZVNZGQWHMNHF-UHFFFAOYSA-N -1 3 391.474 3.180 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1F ZINC000095964455 211288986 /nfs/dbraw/zinc/28/89/86/211288986.db2.gz PLMCSKCJCWCAOV-UHFFFAOYSA-N -1 3 391.449 3.110 20 0 GGADHM CC(=O)c1sc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)nc1-c1ccccc1 ZINC000095958922 211287169 /nfs/dbraw/zinc/28/71/69/211287169.db2.gz WZTNGACZISKQMG-UHFFFAOYSA-N -1 3 390.442 3.262 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000095463058 211244151 /nfs/dbraw/zinc/24/41/51/211244151.db2.gz UWSTVFRTPXUVEG-ZDUSSCGKSA-N -1 3 385.835 3.434 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000089532531 211180972 /nfs/dbraw/zinc/18/09/72/211180972.db2.gz PQIKYFRBSVYAQU-SFHVURJKSA-N -1 3 396.472 3.246 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(CC(F)(F)F)CC1 ZINC000084541401 211171520 /nfs/dbraw/zinc/17/15/20/211171520.db2.gz GQPSWHQKPALBFO-UHFFFAOYSA-N -1 3 378.394 3.303 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3c(F)cccc3Cl)[n-]c(=O)c21 ZINC000070766247 211042443 /nfs/dbraw/zinc/04/24/43/211042443.db2.gz VAGIKWURRGRDDG-UHFFFAOYSA-N -1 3 393.827 3.498 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)s1 ZINC000069095826 211034084 /nfs/dbraw/zinc/03/40/84/211034084.db2.gz OQWBWKLIENTKFW-KRWDZBQOSA-N -1 3 392.546 3.475 20 0 GGADHM COc1ccc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000058197994 210910980 /nfs/dbraw/zinc/91/09/80/210910980.db2.gz VZNNWZKTIQRJAB-AWEZNQCLSA-N -1 3 378.469 3.120 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C)ccc2F)cc1 ZINC000057784161 210901754 /nfs/dbraw/zinc/90/17/54/210901754.db2.gz DTUPWACSCTZUHV-GFCCVEGCSA-N -1 3 389.456 3.424 20 0 GGADHM Cc1sc2ncnc(N3CCC(C(=O)[N-]O[C@@H]4CCCCO4)CC3)c2c1C ZINC000065475574 136164111 /nfs/dbraw/zinc/16/41/11/136164111.db2.gz GEOXWWGFWXSKRG-OAHLLOKOSA-N -1 3 390.509 3.099 20 0 GGADHM Cc1cc(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)nc(C(C)C)n1 ZINC000095961250 136182772 /nfs/dbraw/zinc/18/27/72/136182772.db2.gz RYSNXTMYMADVLV-UHFFFAOYSA-N -1 3 394.475 3.043 20 0 GGADHM O=C(NC1CCN(c2ncccn2)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000170649490 136199262 /nfs/dbraw/zinc/19/92/62/136199262.db2.gz MYJZGHNMYMUULE-UHFFFAOYSA-N -1 3 390.443 3.373 20 0 GGADHM Cc1nc(C)c(CCNC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000122511840 564417206 /nfs/dbraw/zinc/41/72/06/564417206.db2.gz IJDAFZOMPIWVNK-UHFFFAOYSA-N -1 3 384.299 3.270 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000040438015 564428132 /nfs/dbraw/zinc/42/81/32/564428132.db2.gz MMVUUGPIDWLPOR-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cs1 ZINC000235938972 565936283 /nfs/dbraw/zinc/93/62/83/565936283.db2.gz PGVUREBJQVDTKH-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000233743716 565934179 /nfs/dbraw/zinc/93/41/79/565934179.db2.gz PNGJEZZDDFPDGR-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)s1 ZINC000546182973 567111968 /nfs/dbraw/zinc/11/19/68/567111968.db2.gz QPFPKXUEENBYIY-NSHDSACASA-N -1 3 382.345 3.447 20 0 GGADHM Cc1ccc([C@H]2CCCN2C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000114707080 564181224 /nfs/dbraw/zinc/18/12/24/564181224.db2.gz SOVXJTZJSUTFIO-CHWSQXEVSA-N -1 3 384.548 3.149 20 0 GGADHM Cc1nn2c(nnc2SCc2ccc(Cl)cc2Br)[n-]c1=O ZINC000114860822 564183483 /nfs/dbraw/zinc/18/34/83/564183483.db2.gz ZTFIHQNJQFKNAH-UHFFFAOYSA-N -1 3 386.662 3.242 20 0 GGADHM CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000115394196 564192749 /nfs/dbraw/zinc/19/27/49/564192749.db2.gz IWWJGPHGRWQQSN-INIZCTEOSA-N -1 3 386.926 3.193 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000115454579 564193489 /nfs/dbraw/zinc/19/34/89/564193489.db2.gz SEQZRAYASQXZQR-JSGCOSHPSA-N -1 3 398.937 3.084 20 0 GGADHM CN(C)[C@H](CNC(=O)Cn1c(-c2cccs2)n[n-]c1=S)c1cccs1 ZINC000115524952 564195176 /nfs/dbraw/zinc/19/51/76/564195176.db2.gz AGCYIOIKMAYHDW-LLVKDONJSA-N -1 3 393.563 3.150 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000115584200 564195381 /nfs/dbraw/zinc/19/53/81/564195381.db2.gz QTKAKLLIJFMONB-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000115507086 564195455 /nfs/dbraw/zinc/19/54/55/564195455.db2.gz XWGPCOXFCDVNBV-GFCCVEGCSA-N -1 3 382.507 3.231 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCC1)c1ccc(Br)cc1Cl ZINC000115633827 564197795 /nfs/dbraw/zinc/19/77/95/564197795.db2.gz ULNFHXYDHAGNSK-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM CC1CCN([C@@H](C[N-]S(=O)(=O)c2cncc(F)c2)c2cccs2)CC1 ZINC000116106927 564202716 /nfs/dbraw/zinc/20/27/16/564202716.db2.gz MVFHWBRANQMVEF-INIZCTEOSA-N -1 3 383.514 3.034 20 0 GGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116348790 564208403 /nfs/dbraw/zinc/20/84/03/564208403.db2.gz MEFOPEFCLNPKNC-UHFFFAOYSA-N -1 3 389.315 3.191 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1Br)c1nccs1 ZINC000116377217 564209715 /nfs/dbraw/zinc/20/97/15/564209715.db2.gz AVUOWBOIZJNUHF-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000116377790 564209821 /nfs/dbraw/zinc/20/98/21/564209821.db2.gz ODTVRDZXDXRKMR-UHFFFAOYSA-N -1 3 375.313 3.428 20 0 GGADHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000116461730 564211233 /nfs/dbraw/zinc/21/12/33/564211233.db2.gz TWGNROGQAPNWSE-ZDUSSCGKSA-N -1 3 386.926 3.256 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1Cl ZINC000116711862 564215094 /nfs/dbraw/zinc/21/50/94/564215094.db2.gz NBNKTQLPQVSKJP-QHCPKHFHSA-N -1 3 387.910 3.336 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nccn3C)nc(=O)c2c1C ZINC000005359521 564215470 /nfs/dbraw/zinc/21/54/70/564215470.db2.gz JPGKLUQJMOHVDI-VIFPVBQESA-N -1 3 378.479 3.057 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(NCC2CC2)nc1 ZINC000507001682 564215534 /nfs/dbraw/zinc/21/55/34/564215534.db2.gz LZGBSTKVNIEWPG-UHFFFAOYSA-N -1 3 376.254 3.302 20 0 GGADHM Cc1sc2ncn(CC(=O)Nc3cc(Cl)cc(C)c3[O-])c(=O)c2c1C ZINC000116980428 564220897 /nfs/dbraw/zinc/22/08/97/564220897.db2.gz WPQGQLRQUCWKNF-UHFFFAOYSA-N -1 3 377.853 3.381 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000117375078 564226331 /nfs/dbraw/zinc/22/63/31/564226331.db2.gz USRURVNTHGHNAW-VXGBXAGGSA-N -1 3 394.356 3.410 20 0 GGADHM CCNc1nnc(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)s1 ZINC000007027523 564230680 /nfs/dbraw/zinc/23/06/80/564230680.db2.gz DAMHRVCSEJAQOD-UHFFFAOYSA-N -1 3 381.508 3.071 20 0 GGADHM O=S(=O)([N-]Cc1cn2ccccc2n1)c1cc(C(F)(F)F)ccc1Cl ZINC000007050307 564231097 /nfs/dbraw/zinc/23/10/97/564231097.db2.gz PNDQQYWFVYOPNX-UHFFFAOYSA-N -1 3 389.786 3.485 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2ncnc3sccc32)cc1 ZINC000007026421 564231192 /nfs/dbraw/zinc/23/11/92/564231192.db2.gz WMIDPWBCAVCJTB-UHFFFAOYSA-N -1 3 379.488 3.038 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3ccc(OC)cc3)nc(=O)c2c1C ZINC000006999168 564231297 /nfs/dbraw/zinc/23/12/97/564231297.db2.gz HUVXPQWYUUTWJP-UHFFFAOYSA-N -1 3 376.459 3.381 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000007376650 564236131 /nfs/dbraw/zinc/23/61/31/564236131.db2.gz FDTGTPGZQQBOAN-UHFFFAOYSA-N -1 3 388.258 3.465 20 0 GGADHM C[C@@H]1SCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]1C ZINC000118373430 564239975 /nfs/dbraw/zinc/23/99/75/564239975.db2.gz RELGAWJHEICQSK-UWVGGRQHSA-N -1 3 381.295 3.257 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000118438275 564240729 /nfs/dbraw/zinc/24/07/29/564240729.db2.gz KRSTYAPUNNIIKS-LRDDRELGSA-N -1 3 375.918 3.468 20 0 GGADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000118662466 564244474 /nfs/dbraw/zinc/24/44/74/564244474.db2.gz PUPSGTQHROZFFP-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)Cc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)[n-]1 ZINC000118662466 564244480 /nfs/dbraw/zinc/24/44/80/564244480.db2.gz PUPSGTQHROZFFP-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n[n-]1 ZINC000118662466 564244482 /nfs/dbraw/zinc/24/44/82/564244482.db2.gz PUPSGTQHROZFFP-UHFFFAOYSA-N -1 3 376.825 3.154 20 0 GGADHM Cc1cccc(C(C)(C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000118973463 564249394 /nfs/dbraw/zinc/24/93/94/564249394.db2.gz XRUIMKJIWPFLRK-UHFFFAOYSA-N -1 3 386.926 3.040 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](CCCO)c1ccccc1 ZINC000119004200 564250102 /nfs/dbraw/zinc/25/01/02/564250102.db2.gz GNVFCEZHWNPSQB-MRXNPFEDSA-N -1 3 393.281 3.468 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000119089291 564254100 /nfs/dbraw/zinc/25/41/00/564254100.db2.gz JIGVSBXGMWKQOG-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM CC[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)OC ZINC000009521392 564254229 /nfs/dbraw/zinc/25/42/29/564254229.db2.gz AFIDJDUMHIDRKO-LBPRGKRZSA-N -1 3 378.841 3.218 20 0 GGADHM CCOC(=O)[C@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521384 564254368 /nfs/dbraw/zinc/25/43/68/564254368.db2.gz XPHIZGFEOYNCJV-VIFPVBQESA-N -1 3 378.841 3.218 20 0 GGADHM CCc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)sc1C ZINC000009853591 564255056 /nfs/dbraw/zinc/25/50/56/564255056.db2.gz VAKZIJCTXDDXGC-UHFFFAOYSA-N -1 3 398.575 3.264 20 0 GGADHM Cc1cnc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000010556152 564258939 /nfs/dbraw/zinc/25/89/39/564258939.db2.gz XHQVGYCMOWMYAY-UHFFFAOYSA-N -1 3 394.305 3.065 20 0 GGADHM CC(=O)[C@H](NC(=O)CSc1nnc([N-]c2ccccc2F)s1)C(C)C ZINC000010766449 564260187 /nfs/dbraw/zinc/26/01/87/564260187.db2.gz GWXGUHAEZWFEIH-CQSZACIVSA-N -1 3 382.486 3.243 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000119271502 564263100 /nfs/dbraw/zinc/26/31/00/564263100.db2.gz HOYYWSIDDMXMQB-SNVBAGLBSA-N -1 3 387.552 3.017 20 0 GGADHM CSc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011451138 564263593 /nfs/dbraw/zinc/26/35/93/564263593.db2.gz UYMCDCYSQQPLDZ-UHFFFAOYSA-N -1 3 396.559 3.053 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Br ZINC000119310254 564264646 /nfs/dbraw/zinc/26/46/46/564264646.db2.gz ZQWCYDHLLGRJCY-LBPRGKRZSA-N -1 3 388.308 3.485 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1c(C)noc1C ZINC000119320765 564265183 /nfs/dbraw/zinc/26/51/83/564265183.db2.gz FKMWZYFIUJUDGS-LBPRGKRZSA-N -1 3 386.857 3.146 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 ZINC000012345395 564266635 /nfs/dbraw/zinc/26/66/35/564266635.db2.gz YTBPDJWAWPPBEL-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cn4ccccc4n3)s2)cs1 ZINC000119369907 564268140 /nfs/dbraw/zinc/26/81/40/564268140.db2.gz IJBVUJZEXSDALC-UHFFFAOYSA-N -1 3 390.515 3.306 20 0 GGADHM CN(Cc1ccc(Br)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012535939 564268379 /nfs/dbraw/zinc/26/83/79/564268379.db2.gz KVJREWYBLUWNLH-UHFFFAOYSA-N -1 3 397.294 3.093 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1ccc(Br)cc1Cl ZINC000012526723 564268461 /nfs/dbraw/zinc/26/84/61/564268461.db2.gz HSCJVCGRGCTGNE-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3cccc(Br)c3)C2)n1 ZINC000119397432 564269202 /nfs/dbraw/zinc/26/92/02/564269202.db2.gz UEGADUCATICEDK-HNNXBMFYSA-N -1 3 378.270 3.081 20 0 GGADHM O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc([O-])cc1F ZINC000119533265 564275293 /nfs/dbraw/zinc/27/52/93/564275293.db2.gz OPOKUYIIJVYYOA-UHFFFAOYSA-N -1 3 396.216 3.444 20 0 GGADHM CCCC[C@@H](COC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000119593809 564277883 /nfs/dbraw/zinc/27/78/83/564277883.db2.gz SLZFLMXHRVXQPQ-LBPRGKRZSA-N -1 3 381.270 3.226 20 0 GGADHM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000014098603 564279393 /nfs/dbraw/zinc/27/93/93/564279393.db2.gz MPQIKSUZMWJTIZ-RYUDHWBXSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000014098668 564279451 /nfs/dbraw/zinc/27/94/51/564279451.db2.gz VLVUDVPPJLUBQJ-VXGBXAGGSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000014098647 564279461 /nfs/dbraw/zinc/27/94/61/564279461.db2.gz LLRNJWWLSASPTN-RYUDHWBXSA-N -1 3 395.352 3.160 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000014098690 564279698 /nfs/dbraw/zinc/27/96/98/564279698.db2.gz GFHHSXQDPJMPGU-TXEJJXNPSA-N -1 3 395.352 3.160 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2nc(C)nc3sc4c(c32)CCC4)s1 ZINC000014303889 564281743 /nfs/dbraw/zinc/28/17/43/564281743.db2.gz HESGPERCJBPPEU-UHFFFAOYSA-N -1 3 394.547 3.070 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000015327368 564285684 /nfs/dbraw/zinc/28/56/84/564285684.db2.gz XOPBJGPASQZEGL-ZDUSSCGKSA-N -1 3 388.272 3.056 20 0 GGADHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000015357849 564286300 /nfs/dbraw/zinc/28/63/00/564286300.db2.gz NIIXGACMHSCPMD-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM COc1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000015357858 564286471 /nfs/dbraw/zinc/28/64/71/564286471.db2.gz FJYGDHCXJVDTDF-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000015501420 564288065 /nfs/dbraw/zinc/28/80/65/564288065.db2.gz WPXHGKQIXSLPOM-UHFFFAOYSA-N -1 3 397.294 3.308 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCOc1ccccc1C(F)(F)F ZINC000119779801 564288244 /nfs/dbraw/zinc/28/82/44/564288244.db2.gz JSZKLNKOFGVINN-UHFFFAOYSA-N -1 3 381.397 3.133 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000015599151 564288880 /nfs/dbraw/zinc/28/88/80/564288880.db2.gz NXRXUBLWWDBPIO-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2sccc2Br)c1OC ZINC000119830050 564290689 /nfs/dbraw/zinc/29/06/89/564290689.db2.gz RXKFLVBTGRGGHA-UHFFFAOYSA-N -1 3 392.296 3.006 20 0 GGADHM CCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000016086122 564290946 /nfs/dbraw/zinc/29/09/46/564290946.db2.gz OQJKCVFXKQPIMQ-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2CCCCC2)cc1 ZINC000016084722 564291413 /nfs/dbraw/zinc/29/14/13/564291413.db2.gz DOYJQWXQGUJFBG-QGZVFWFLSA-N -1 3 380.535 3.262 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000016640029 564295317 /nfs/dbraw/zinc/29/53/17/564295317.db2.gz ROAAMJKHSDTYKW-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000017323002 564298152 /nfs/dbraw/zinc/29/81/52/564298152.db2.gz VIMLLLQTDYIARN-NSHDSACASA-N -1 3 387.288 3.149 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1cccc(F)c1 ZINC000017521951 564298184 /nfs/dbraw/zinc/29/81/84/564298184.db2.gz FYYSGMROGBIIIQ-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000017323001 564298224 /nfs/dbraw/zinc/29/82/24/564298224.db2.gz VIMLLLQTDYIARN-LLVKDONJSA-N -1 3 387.288 3.149 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000017521703 564298413 /nfs/dbraw/zinc/29/84/13/564298413.db2.gz QIDCUSCDDVPZIP-CQSZACIVSA-N -1 3 385.873 3.342 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000017521702 564298571 /nfs/dbraw/zinc/29/85/71/564298571.db2.gz QIDCUSCDDVPZIP-AWEZNQCLSA-N -1 3 385.873 3.342 20 0 GGADHM CSC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000120064927 564303190 /nfs/dbraw/zinc/30/31/90/564303190.db2.gz OZLFRWMSPOYKCU-LBPRGKRZSA-N -1 3 382.482 3.108 20 0 GGADHM CC(C)c1cnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000509520509 564303457 /nfs/dbraw/zinc/30/34/57/564303457.db2.gz CMRHDZRPDNWUQF-UHFFFAOYSA-N -1 3 377.894 3.449 20 0 GGADHM CSC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000120095381 564304947 /nfs/dbraw/zinc/30/49/47/564304947.db2.gz AKYPIMJYZMEHCA-LBPRGKRZSA-N -1 3 382.482 3.108 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000021821505 564312019 /nfs/dbraw/zinc/31/20/19/564312019.db2.gz RENBOVUXWYCOCF-UHFFFAOYSA-N -1 3 388.258 3.465 20 0 GGADHM Cc1nnc([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)n1C ZINC000542443098 564313080 /nfs/dbraw/zinc/31/30/80/564313080.db2.gz DRFDICICQAGWNZ-UHFFFAOYSA-N -1 3 382.207 3.250 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2Br)c(C)o1 ZINC000120326120 564315866 /nfs/dbraw/zinc/31/58/66/564315866.db2.gz WQZITUFJJCFPTB-UHFFFAOYSA-N -1 3 388.239 3.246 20 0 GGADHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl ZINC000022496774 564317733 /nfs/dbraw/zinc/31/77/33/564317733.db2.gz WXIJXZMVYPOPBL-UHFFFAOYSA-N -1 3 390.244 3.079 20 0 GGADHM O=C(NCC1CC1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000022972048 564320788 /nfs/dbraw/zinc/32/07/88/564320788.db2.gz PCLNACNAWUGUPT-UHFFFAOYSA-N -1 3 382.844 3.420 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000023404261 564324414 /nfs/dbraw/zinc/32/44/14/564324414.db2.gz LDBWRRCRZYLCMA-NSHDSACASA-N -1 3 387.479 3.189 20 0 GGADHM Brc1ccc(C[N-]c2nnc([C@@H]3COc4ccccc4O3)o2)nc1 ZINC000542754020 564324730 /nfs/dbraw/zinc/32/47/30/564324730.db2.gz JUWDJJMLVFBAMJ-AWEZNQCLSA-N -1 3 389.209 3.352 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000120549236 564325913 /nfs/dbraw/zinc/32/59/13/564325913.db2.gz IAVKFWAXNLNOKC-UHFFFAOYSA-N -1 3 377.846 3.074 20 0 GGADHM O=c1nc(CN2CCC(O)CC2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000023993347 564327686 /nfs/dbraw/zinc/32/76/86/564327686.db2.gz BTBAYYQAAHBZAG-UHFFFAOYSA-N -1 3 375.881 3.262 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)c(C)s1 ZINC000024336152 564329483 /nfs/dbraw/zinc/32/94/83/564329483.db2.gz XUPMYIRPSZHQQG-UHFFFAOYSA-N -1 3 392.424 3.458 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(F)cc1F ZINC000024428176 564330254 /nfs/dbraw/zinc/33/02/54/564330254.db2.gz JYUMKWROGIBGCC-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1cccs1 ZINC000024485459 564331586 /nfs/dbraw/zinc/33/15/86/564331586.db2.gz LUXUCILAOCTFPH-LBPRGKRZSA-N -1 3 377.846 3.123 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000024485391 564331594 /nfs/dbraw/zinc/33/15/94/564331594.db2.gz KDHOSJAGOFFLQS-NSHDSACASA-N -1 3 393.408 3.350 20 0 GGADHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000024484622 564331754 /nfs/dbraw/zinc/33/17/54/564331754.db2.gz BMRVTIKLEMYPPJ-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1cccs1 ZINC000024485453 564331835 /nfs/dbraw/zinc/33/18/35/564331835.db2.gz LUXUCILAOCTFPH-GFCCVEGCSA-N -1 3 377.846 3.123 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)cs1 ZINC000120713078 564333856 /nfs/dbraw/zinc/33/38/56/564333856.db2.gz DCFJRLNLTLZGMZ-UHFFFAOYSA-N -1 3 396.234 3.445 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000120766702 564335891 /nfs/dbraw/zinc/33/58/91/564335891.db2.gz OQKPVKDVTMGZOJ-UHFFFAOYSA-N -1 3 391.200 3.186 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)c(Cl)cc1F ZINC000120802576 564337987 /nfs/dbraw/zinc/33/79/87/564337987.db2.gz KCOBTGFQISIEDJ-OLZOCXBDSA-N -1 3 390.908 3.149 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000120807487 564338127 /nfs/dbraw/zinc/33/81/27/564338127.db2.gz GAAIMYWUPFGLQQ-AWEZNQCLSA-N -1 3 380.535 3.261 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000025655694 564340790 /nfs/dbraw/zinc/34/07/90/564340790.db2.gz AEQQKDZOBLYCCP-HNNXBMFYSA-N -1 3 383.539 3.104 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCCn3ccnc3C)s2)cs1 ZINC000120927275 564343295 /nfs/dbraw/zinc/34/32/95/564343295.db2.gz WIUSWDOHLLOXGZ-UHFFFAOYSA-N -1 3 396.563 3.444 20 0 GGADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000026234065 564344661 /nfs/dbraw/zinc/34/46/61/564344661.db2.gz ZISISNOGUURVEB-OAHLLOKOSA-N -1 3 395.352 3.019 20 0 GGADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000026233840 564344806 /nfs/dbraw/zinc/34/48/06/564344806.db2.gz FNCSLXPOKLHZQF-CYBMUJFWSA-N -1 3 395.352 3.019 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000026527262 564347307 /nfs/dbraw/zinc/34/73/07/564347307.db2.gz CCSHGPUWJIIVGR-UHFFFAOYSA-N -1 3 386.267 3.275 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000026541600 564347367 /nfs/dbraw/zinc/34/73/67/564347367.db2.gz SGBRERZUPXZUJP-UHFFFAOYSA-N -1 3 389.658 3.002 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1sccc1OC)c1cccc(C(F)(F)F)c1 ZINC000121005588 564348170 /nfs/dbraw/zinc/34/81/70/564348170.db2.gz QHPMHVDVQCGVFW-LBPRGKRZSA-N -1 3 395.424 3.442 20 0 GGADHM O=S(=O)([N-]CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1F ZINC000026833005 564349649 /nfs/dbraw/zinc/34/96/49/564349649.db2.gz KYTUSQDJLCOLOS-UHFFFAOYSA-N -1 3 382.888 3.206 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2sccc2C1 ZINC000026839508 564350981 /nfs/dbraw/zinc/35/09/81/564350981.db2.gz PDJTWCOITHXLII-SNVBAGLBSA-N -1 3 376.956 3.188 20 0 GGADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000027334221 564353495 /nfs/dbraw/zinc/35/34/95/564353495.db2.gz IJOCJKIUXDXJRA-AWEZNQCLSA-N -1 3 379.254 3.315 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1ccccc1Br ZINC000121117592 564354239 /nfs/dbraw/zinc/35/42/39/564354239.db2.gz MWTNVOWQTQDYCD-INIZCTEOSA-N -1 3 399.244 3.310 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000027598045 564354614 /nfs/dbraw/zinc/35/46/14/564354614.db2.gz DMCIXZPNQFGZMB-UHFFFAOYSA-N -1 3 389.658 3.002 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3cccc(OC)c3)nc(=O)c2c1C ZINC000027661342 564355997 /nfs/dbraw/zinc/35/59/97/564355997.db2.gz YOKNKHSQJVREFR-UHFFFAOYSA-N -1 3 376.459 3.381 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCNc3cccc(C)n3)s2)cs1 ZINC000121159644 564356372 /nfs/dbraw/zinc/35/63/72/564356372.db2.gz UZWADGAEHPEGPI-UHFFFAOYSA-N -1 3 394.547 3.274 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000027969840 564357818 /nfs/dbraw/zinc/35/78/18/564357818.db2.gz XLJKPPPDPRRGCO-VHSXEESVSA-N -1 3 385.379 3.242 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 ZINC000028082180 564359496 /nfs/dbraw/zinc/35/94/96/564359496.db2.gz XNSFNJRJUMSFHJ-UHFFFAOYSA-N -1 3 378.251 3.436 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000028199327 564360325 /nfs/dbraw/zinc/36/03/25/564360325.db2.gz CVKJAJYPHJSHMT-TXEJJXNPSA-N -1 3 393.336 3.166 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc3cccnc32)n[n-]1 ZINC000543761307 564362738 /nfs/dbraw/zinc/36/27/38/564362738.db2.gz OAFFTPALPSGQCA-UHFFFAOYSA-N -1 3 389.209 3.149 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc3cccnc32)[n-]n1 ZINC000543761307 564362742 /nfs/dbraw/zinc/36/27/42/564362742.db2.gz OAFFTPALPSGQCA-UHFFFAOYSA-N -1 3 389.209 3.149 20 0 GGADHM COc1cc(Br)c(/C=C(\C#N)C(=O)NCCCOC(C)C)cc1[O-] ZINC000028624047 564363973 /nfs/dbraw/zinc/36/39/73/564363973.db2.gz PVPRDVXKJMOBEK-NTUHNPAUSA-N -1 3 397.269 3.002 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)on1 ZINC000029064832 564367004 /nfs/dbraw/zinc/36/70/04/564367004.db2.gz MUNUUBNKLIILBM-JTQLQIEISA-N -1 3 385.251 3.187 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C1(c2cccc(Br)c2)CC1 ZINC000121453752 564369477 /nfs/dbraw/zinc/36/94/77/564369477.db2.gz PCVFMKMGWPQWGW-UHFFFAOYSA-N -1 3 388.308 3.487 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3C[C@H](C)N(C4CC4)C3)s2)cs1 ZINC000121456215 564369613 /nfs/dbraw/zinc/36/96/13/564369613.db2.gz IWNCRPHQAHMPNA-JQWIXIFHSA-N -1 3 383.564 3.084 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000029547800 564370543 /nfs/dbraw/zinc/37/05/43/564370543.db2.gz JEVPWGIOKPUHHN-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM CCCN(CCC)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000029896128 564374690 /nfs/dbraw/zinc/37/46/90/564374690.db2.gz IDCPZIJZEOHOIV-GFCCVEGCSA-N -1 3 380.432 3.021 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000121574666 564375181 /nfs/dbraw/zinc/37/51/81/564375181.db2.gz GSPHUVFZCOTNIZ-UHFFFAOYSA-N -1 3 386.804 3.302 20 0 GGADHM O=S(=O)([N-]CCCOCC1CCOCC1)c1c(Cl)cccc1Cl ZINC000121651945 564379863 /nfs/dbraw/zinc/37/98/63/564379863.db2.gz WWPVIZFSMVYPGW-UHFFFAOYSA-N -1 3 382.309 3.105 20 0 GGADHM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000030361557 564380062 /nfs/dbraw/zinc/38/00/62/564380062.db2.gz YLFIYOAZIXSMSA-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(F)c(F)cc1Br ZINC000121679316 564380766 /nfs/dbraw/zinc/38/07/66/564380766.db2.gz SCLSKEJRWGVPCU-UHFFFAOYSA-N -1 3 396.234 3.445 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)s1 ZINC000121706572 564382811 /nfs/dbraw/zinc/38/28/11/564382811.db2.gz GDKIVQUUNQMBDC-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000030674604 564383577 /nfs/dbraw/zinc/38/35/77/564383577.db2.gz WITKEROREZRHDH-XCBNKYQSSA-N -1 3 386.704 3.337 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000121759585 564385831 /nfs/dbraw/zinc/38/58/31/564385831.db2.gz ZTGLFWCMRGCHNK-QMMMGPOBSA-N -1 3 395.188 3.372 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000121759585 564385834 /nfs/dbraw/zinc/38/58/34/564385834.db2.gz ZTGLFWCMRGCHNK-QMMMGPOBSA-N -1 3 395.188 3.372 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000121759585 564385838 /nfs/dbraw/zinc/38/58/38/564385838.db2.gz ZTGLFWCMRGCHNK-QMMMGPOBSA-N -1 3 395.188 3.372 20 0 GGADHM O=S(=O)([N-]CCCOCC1CC1)c1ccc(Br)cc1Cl ZINC000031074334 564386408 /nfs/dbraw/zinc/38/64/08/564386408.db2.gz VVQYYJMWGUEAJW-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(Br)cc1)c1c[nH]cn1 ZINC000121788809 564386630 /nfs/dbraw/zinc/38/66/30/564386630.db2.gz UMKNEXHJVAQFIC-INIZCTEOSA-N -1 3 392.278 3.240 20 0 GGADHM CCCCc1ccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1 ZINC000121791968 564387617 /nfs/dbraw/zinc/38/76/17/564387617.db2.gz QJWHOIQXFYVZSN-UHFFFAOYSA-N -1 3 381.523 3.321 20 0 GGADHM C[C@H](c1ccccc1Cl)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000121813105 564387648 /nfs/dbraw/zinc/38/76/48/564387648.db2.gz XKSOZMLMCAPLKP-GFCCVEGCSA-N -1 3 386.926 3.290 20 0 GGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000121812981 564387676 /nfs/dbraw/zinc/38/76/76/564387676.db2.gz XKSOZMLMCAPLKP-LBPRGKRZSA-N -1 3 386.926 3.290 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000121846751 564389434 /nfs/dbraw/zinc/38/94/34/564389434.db2.gz UIEYNRLGJYHRGE-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]Cc3ccccc3Cl)cc2N1 ZINC000031793351 564392414 /nfs/dbraw/zinc/39/24/14/564392414.db2.gz ZTPSPFSIOVPNCN-UHFFFAOYSA-N -1 3 385.272 3.357 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000121961229 564394560 /nfs/dbraw/zinc/39/45/60/564394560.db2.gz SGNCCAXPEWKMAG-OAHLLOKOSA-N -1 3 377.897 3.326 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCOc1ccccc1Cl ZINC000032315709 564397742 /nfs/dbraw/zinc/39/77/42/564397742.db2.gz GRZWHCXNZAOCBR-UHFFFAOYSA-N -1 3 377.853 3.066 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000122070020 564399147 /nfs/dbraw/zinc/39/91/47/564399147.db2.gz JICJAYBMUMGRNY-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N1CCc2ccccc2C1 ZINC000032433228 564399378 /nfs/dbraw/zinc/39/93/78/564399378.db2.gz VHLBCDBNWVJUAI-ZDUSSCGKSA-N -1 3 382.888 3.204 20 0 GGADHM CC[C@H](C)[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000122109696 564400184 /nfs/dbraw/zinc/40/01/84/564400184.db2.gz NXQLRJYNFNRCIG-QWRGUYRKSA-N -1 3 381.325 3.213 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c(F)c1 ZINC000032444961 564400724 /nfs/dbraw/zinc/40/07/24/564400724.db2.gz CHLACDRTOMEQEC-HNNXBMFYSA-N -1 3 380.466 3.300 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(Cl)s1 ZINC000032443429 564400889 /nfs/dbraw/zinc/40/08/89/564400889.db2.gz JSDSHFQQNIKBDL-UHFFFAOYSA-N -1 3 386.804 3.216 20 0 GGADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000032473512 564401591 /nfs/dbraw/zinc/40/15/91/564401591.db2.gz AKZUBTMAOUGYGN-SFYZADRCSA-N -1 3 383.105 3.146 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1Cl ZINC000032595238 564403827 /nfs/dbraw/zinc/40/38/27/564403827.db2.gz BQNPFMNTDJJWPQ-UHFFFAOYSA-N -1 3 384.816 3.173 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000122194295 564404314 /nfs/dbraw/zinc/40/43/14/564404314.db2.gz NXQQMLRERKTEFZ-JTQLQIEISA-N -1 3 390.889 3.106 20 0 GGADHM C[C@@H](Sc1ncc2ccccn21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672079 564404347 /nfs/dbraw/zinc/40/43/47/564404347.db2.gz PXGHIEBABRZZJS-GFCCVEGCSA-N -1 3 375.475 3.069 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000033191932 564411802 /nfs/dbraw/zinc/41/18/02/564411802.db2.gz VXBSMMHURFGTTJ-UWVGGRQHSA-N -1 3 390.889 3.085 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000122451234 564414676 /nfs/dbraw/zinc/41/46/76/564414676.db2.gz WCOAFWQYOVEFGO-SECBINFHSA-N -1 3 399.881 3.500 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1F)c1ccc(F)cc1Br ZINC000037408722 564420665 /nfs/dbraw/zinc/42/06/65/564420665.db2.gz VEZHOLRRCJYPKZ-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1ccc(Br)cc1Cl ZINC000037492343 564421095 /nfs/dbraw/zinc/42/10/95/564421095.db2.gz UHMDJQDTZWLHMH-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000042295051 564444829 /nfs/dbraw/zinc/44/48/29/564444829.db2.gz KWKYTTADNSFJJN-NSHDSACASA-N -1 3 381.361 3.053 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000040614355 564428007 /nfs/dbraw/zinc/42/80/07/564428007.db2.gz RYOUXCTWOQLFOX-AWEZNQCLSA-N -1 3 384.885 3.057 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000040436037 564428475 /nfs/dbraw/zinc/42/84/75/564428475.db2.gz LIQYXPWKBVAGIK-UHFFFAOYSA-N -1 3 395.750 3.113 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cc(Br)ccc1F ZINC000122873142 564430578 /nfs/dbraw/zinc/43/05/78/564430578.db2.gz HJBIAXNPYJRAHL-UHFFFAOYSA-N -1 3 391.287 3.401 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1ccc(F)cc1Br ZINC000122922264 564432465 /nfs/dbraw/zinc/43/24/65/564432465.db2.gz REEJKYPTHJZYPH-UHFFFAOYSA-N -1 3 391.287 3.401 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)CCCC2)no1 ZINC000041629001 564434617 /nfs/dbraw/zinc/43/46/17/564434617.db2.gz DJSJIAUBRLUPOX-UHFFFAOYSA-N -1 3 375.372 3.145 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1cc(Cl)cc(Cl)c1 ZINC000041626899 564434649 /nfs/dbraw/zinc/43/46/49/564434649.db2.gz CBDOZVSABMZGCB-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1c(Cl)cccc1Cl ZINC000041626915 564434940 /nfs/dbraw/zinc/43/49/40/564434940.db2.gz MVLGZMBYDPPUIQ-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1C1CCCCC1 ZINC000123108849 564438677 /nfs/dbraw/zinc/43/86/77/564438677.db2.gz SAFVBBHPKRWOKK-CQSZACIVSA-N -1 3 391.320 3.205 20 0 GGADHM CCC[C@H](C)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000042077308 564441060 /nfs/dbraw/zinc/44/10/60/564441060.db2.gz DLFHSYYXPCUUPU-NWDGAFQWSA-N -1 3 380.432 3.019 20 0 GGADHM CCC[C@H](C)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000042077314 564441196 /nfs/dbraw/zinc/44/11/96/564441196.db2.gz DLFHSYYXPCUUPU-RYUDHWBXSA-N -1 3 380.432 3.019 20 0 GGADHM Cc1oc(C(=O)[N-]c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCC1 ZINC000042200598 564443758 /nfs/dbraw/zinc/44/37/58/564443758.db2.gz KEZRDQANUGRQOT-UHFFFAOYSA-N -1 3 386.832 3.417 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc(F)c1 ZINC000042163225 564443990 /nfs/dbraw/zinc/44/39/90/564443990.db2.gz MSAMKIMTMGDVES-UHFFFAOYSA-N -1 3 391.251 3.440 20 0 GGADHM C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000042570344 564447614 /nfs/dbraw/zinc/44/76/14/564447614.db2.gz RMFGWQISXNGAMT-SNVBAGLBSA-N -1 3 383.495 3.102 20 0 GGADHM O=S(=O)([N-]c1ccccc1Br)c1cncc(Br)c1 ZINC000043531767 564459117 /nfs/dbraw/zinc/45/91/17/564459117.db2.gz HEKUWNJJOODTLA-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM C[C@H]1C[C@H](C)CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000123724635 564459386 /nfs/dbraw/zinc/45/93/86/564459386.db2.gz VFJSJJVFLAFVFA-STQMWFEESA-N -1 3 398.575 3.406 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000123745076 564460363 /nfs/dbraw/zinc/46/03/63/564460363.db2.gz NFLHPKYMOHCSSC-SNVBAGLBSA-N -1 3 384.723 3.180 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c([O-])c1 ZINC000043732153 564460931 /nfs/dbraw/zinc/46/09/31/564460931.db2.gz CSAKOOCXOUWJDC-GFCCVEGCSA-N -1 3 389.249 3.455 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F ZINC000123770878 564460999 /nfs/dbraw/zinc/46/09/99/564460999.db2.gz YGXKQPAWWYNXJS-UHFFFAOYSA-N -1 3 392.861 3.042 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c([O-])c1 ZINC000043732156 564461340 /nfs/dbraw/zinc/46/13/40/564461340.db2.gz CRPVNIXQBBFALX-LBPRGKRZSA-N -1 3 389.249 3.455 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1cc(Cl)cc(Cl)c1 ZINC000043785360 564461947 /nfs/dbraw/zinc/46/19/47/564461947.db2.gz UBAKYXCZSWQQQA-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1F ZINC000123820403 564462407 /nfs/dbraw/zinc/46/24/07/564462407.db2.gz QASMZHNESPQRFU-UHFFFAOYSA-N -1 3 386.470 3.005 20 0 GGADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1F ZINC000123820403 564462410 /nfs/dbraw/zinc/46/24/10/564462410.db2.gz QASMZHNESPQRFU-UHFFFAOYSA-N -1 3 386.470 3.005 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1c(F)cccc1F ZINC000044244220 564464769 /nfs/dbraw/zinc/46/47/69/564464769.db2.gz KYLJQASVVAKDIP-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cncc(Br)c1 ZINC000044244614 564464786 /nfs/dbraw/zinc/46/47/86/564464786.db2.gz BEGCDIGEVXUYJX-UHFFFAOYSA-N -1 3 391.630 3.027 20 0 GGADHM CNC(=O)NC(=O)CCSc1nnc([N-]c2c(C)cc(C)cc2Cl)s1 ZINC000044123189 564464907 /nfs/dbraw/zinc/46/49/07/564464907.db2.gz STOFQLLZOFDBNW-UHFFFAOYSA-N -1 3 399.929 3.490 20 0 GGADHM CN1CCc2nc([N-]C(=O)c3c(F)cc(Br)cc3F)sc2C1 ZINC000123927690 564466100 /nfs/dbraw/zinc/46/61/00/564466100.db2.gz NUTSFQGOHBJMAU-UHFFFAOYSA-N -1 3 388.237 3.424 20 0 GGADHM CCS(=O)(=O)CCS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000123925109 564466415 /nfs/dbraw/zinc/46/64/15/564466415.db2.gz UDGMMEQETXWTOP-JTQLQIEISA-N -1 3 398.531 3.474 20 0 GGADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1Cl ZINC000044326436 564466537 /nfs/dbraw/zinc/46/65/37/564466537.db2.gz AQENFEQJJOCZNT-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM Cc1cc(Br)oc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000044331867 564467096 /nfs/dbraw/zinc/46/70/96/564467096.db2.gz GEIIIOWAAKURGK-UHFFFAOYSA-N -1 3 376.203 3.145 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)sc1Br ZINC000124124062 564472127 /nfs/dbraw/zinc/47/21/27/564472127.db2.gz FKLFDGCLDNWZSK-AWEZNQCLSA-N -1 3 390.324 3.005 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)cc1Cl ZINC000124214124 564475229 /nfs/dbraw/zinc/47/52/29/564475229.db2.gz XCDHLGONGFAWPP-NSHDSACASA-N -1 3 384.325 3.325 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cnc(-c2ncccn2)s1 ZINC000124223719 564475472 /nfs/dbraw/zinc/47/54/72/564475472.db2.gz FMNZNMDFYUOSMX-UHFFFAOYSA-N -1 3 377.223 3.321 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000124293564 564477655 /nfs/dbraw/zinc/47/76/55/564477655.db2.gz NXVMGHIRZKLHRY-UHFFFAOYSA-N -1 3 384.325 3.469 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000124344964 564479695 /nfs/dbraw/zinc/47/96/95/564479695.db2.gz PWJIHUGAOMGPBO-UHFFFAOYSA-N -1 3 392.297 3.411 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000124416982 564481406 /nfs/dbraw/zinc/48/14/06/564481406.db2.gz IOIGQLXMMMLWTP-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM COc1ccc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1Cl ZINC000045342014 564482448 /nfs/dbraw/zinc/48/24/48/564482448.db2.gz LTUMIMNGDIVUKU-UHFFFAOYSA-N -1 3 382.869 3.291 20 0 GGADHM O=C(NCC(F)(F)F)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000124513097 564484576 /nfs/dbraw/zinc/48/45/76/564484576.db2.gz XTKQXSNEOCOMHS-UHFFFAOYSA-N -1 3 384.445 3.041 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000045807781 564489434 /nfs/dbraw/zinc/48/94/34/564489434.db2.gz CNCHTUOLEWGIAJ-UHFFFAOYSA-N -1 3 385.791 3.123 20 0 GGADHM O=S(=O)([N-]CCCNc1ccc(C(F)(F)F)cn1)c1ccccc1F ZINC000045811241 564490041 /nfs/dbraw/zinc/49/00/41/564490041.db2.gz LGIIBPUJGBFFHT-UHFFFAOYSA-N -1 3 377.363 3.020 20 0 GGADHM CSCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000124738902 564491355 /nfs/dbraw/zinc/49/13/55/564491355.db2.gz RFLSECCMWFUGQI-UHFFFAOYSA-N -1 3 382.482 3.062 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@]3(C)CCCC[C@H]3O)s2)cs1 ZINC000124795255 564493653 /nfs/dbraw/zinc/49/36/53/564493653.db2.gz SPWVGEZMZFSYNR-GDBMZVCRSA-N -1 3 386.564 3.400 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000046038047 564493770 /nfs/dbraw/zinc/49/37/70/564493770.db2.gz MXCTVYLJXQVOQN-NVXWUHKLSA-N -1 3 386.583 3.086 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3ccc(Br)cc3)nc(=O)c2c1C ZINC000046438544 564502370 /nfs/dbraw/zinc/50/23/70/564502370.db2.gz NEIMGJPSKQZKPF-UHFFFAOYSA-N -1 3 393.262 3.433 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000125136708 564504499 /nfs/dbraw/zinc/50/44/99/564504499.db2.gz PWSMNWRKPGLHBI-LLVKDONJSA-N -1 3 382.507 3.057 20 0 GGADHM O=S(=O)([N-]CCNc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1Cl ZINC000046801188 564507871 /nfs/dbraw/zinc/50/78/71/564507871.db2.gz NYDGQJIFVLAJQN-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM CCCOc1ncccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000125257933 564508316 /nfs/dbraw/zinc/50/83/16/564508316.db2.gz SCVYRMPEXBGFFF-UHFFFAOYSA-N -1 3 394.269 3.338 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CCc2sccc2C1 ZINC000046801981 564508398 /nfs/dbraw/zinc/50/83/98/564508398.db2.gz SWYWOKXEGPKPNP-LLVKDONJSA-N -1 3 388.917 3.266 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000125324670 564510873 /nfs/dbraw/zinc/51/08/73/564510873.db2.gz KTTBVRHFQUACEG-NSHDSACASA-N -1 3 398.344 3.155 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000047031672 564511967 /nfs/dbraw/zinc/51/19/67/564511967.db2.gz HYAUAFOCJBCIRW-GFCCVEGCSA-N -1 3 378.441 3.348 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000125535197 564517292 /nfs/dbraw/zinc/51/72/92/564517292.db2.gz BUJLVNXCTNADPM-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2Br)n1 ZINC000125546967 564518582 /nfs/dbraw/zinc/51/85/82/564518582.db2.gz ATHCBIBZAXIIBO-UHFFFAOYSA-N -1 3 382.283 3.379 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1cccc(Cl)c1Cl ZINC000047413259 564519975 /nfs/dbraw/zinc/51/99/75/564519975.db2.gz HLEUPIPPERSSQA-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Cn1cccn1 ZINC000047413551 564520204 /nfs/dbraw/zinc/52/02/04/564520204.db2.gz YWJNBGJWADBMFI-SNVBAGLBSA-N -1 3 381.807 3.170 20 0 GGADHM Cc1ccc(C)c2sc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)o3)nc21 ZINC000047443094 564521029 /nfs/dbraw/zinc/52/10/29/564521029.db2.gz IYZIXNNOVXZVMA-UHFFFAOYSA-N -1 3 379.463 3.009 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1ncc(C)s1 ZINC000125652893 564521631 /nfs/dbraw/zinc/52/16/31/564521631.db2.gz XFWFTDCZNUTRLE-SNVBAGLBSA-N -1 3 396.515 3.492 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000125731570 564524774 /nfs/dbraw/zinc/52/47/74/564524774.db2.gz WOGBGVSKLHGNRG-OAHLLOKOSA-N -1 3 378.222 3.074 20 0 GGADHM CCc1cnc(S(=O)(=O)[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)[n-]1 ZINC000125826250 564527642 /nfs/dbraw/zinc/52/76/42/564527642.db2.gz LUWZCGDHOOTZDU-JTQLQIEISA-N -1 3 380.857 3.134 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)n1 ZINC000125826250 564527645 /nfs/dbraw/zinc/52/76/45/564527645.db2.gz LUWZCGDHOOTZDU-JTQLQIEISA-N -1 3 380.857 3.134 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000047910178 564527837 /nfs/dbraw/zinc/52/78/37/564527837.db2.gz ZIBZSVUCJNBNBZ-QMMMGPOBSA-N -1 3 379.290 3.360 20 0 GGADHM CCc1cnc(S(=O)(=O)[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)[n-]1 ZINC000125826489 564528041 /nfs/dbraw/zinc/52/80/41/564528041.db2.gz LUWZCGDHOOTZDU-SNVBAGLBSA-N -1 3 380.857 3.134 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)n1 ZINC000125826489 564528045 /nfs/dbraw/zinc/52/80/45/564528045.db2.gz LUWZCGDHOOTZDU-SNVBAGLBSA-N -1 3 380.857 3.134 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000125828644 564528224 /nfs/dbraw/zinc/52/82/24/564528224.db2.gz YVACYKQFLDZARU-MEBBXXQBSA-N -1 3 383.466 3.276 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000125828823 564528361 /nfs/dbraw/zinc/52/83/61/564528361.db2.gz YVACYKQFLDZARU-ZUZCIYMTSA-N -1 3 383.466 3.276 20 0 GGADHM CN(C)CCOc1ccccc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000125903621 564529928 /nfs/dbraw/zinc/52/99/28/564529928.db2.gz JVYDCJHVDBFRPT-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(NS(C)(=O)=O)ccc2Cl)c1 ZINC000047991965 564530125 /nfs/dbraw/zinc/53/01/25/564530125.db2.gz DOWQLONXTLRHSB-UHFFFAOYSA-N -1 3 388.898 3.129 20 0 GGADHM CCCCc1nc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cs1 ZINC000048056704 564530832 /nfs/dbraw/zinc/53/08/32/564530832.db2.gz SWDWDSDPYOUNEL-UHFFFAOYSA-N -1 3 399.607 3.490 20 0 GGADHM CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000125964570 564532029 /nfs/dbraw/zinc/53/20/29/564532029.db2.gz FLMMQELJJROLRI-AWEZNQCLSA-N -1 3 381.226 3.141 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CO)Cc3ccccc3)s2)cs1 ZINC000125977032 564532999 /nfs/dbraw/zinc/53/29/99/564532999.db2.gz QRUAMTAEBVXHKP-AWEZNQCLSA-N -1 3 394.543 3.062 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000126005953 564534194 /nfs/dbraw/zinc/53/41/94/564534194.db2.gz OHJRQLVAZNVKFZ-LLVKDONJSA-N -1 3 379.185 3.358 20 0 GGADHM Cc1ccccc1[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])NC(N)=O ZINC000126040219 564534903 /nfs/dbraw/zinc/53/49/03/564534903.db2.gz GVNKEQQMBNCWAO-CQSZACIVSA-N -1 3 392.253 3.201 20 0 GGADHM COc1ccc2c(c1)CN(C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000126109994 564536598 /nfs/dbraw/zinc/53/65/98/564536598.db2.gz GISPRLWBYHMHPX-UHFFFAOYSA-N -1 3 391.265 3.431 20 0 GGADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000048355053 564537640 /nfs/dbraw/zinc/53/76/40/564537640.db2.gz BKBDIHGJNOXDIX-UHFFFAOYSA-N -1 3 383.853 3.391 20 0 GGADHM CN(CCOc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126132178 564538065 /nfs/dbraw/zinc/53/80/65/564538065.db2.gz SPUVADCVXKQZNL-UHFFFAOYSA-N -1 3 379.254 3.375 20 0 GGADHM C[C@@H](CNc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126174691 564540279 /nfs/dbraw/zinc/54/02/79/564540279.db2.gz QQYMDLVUNKKHQG-LBPRGKRZSA-N -1 3 378.270 3.455 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1sccc1Br)c1ccccc1 ZINC000048443486 564540288 /nfs/dbraw/zinc/54/02/88/564540288.db2.gz ITYYTDWFRAZAEY-CYBMUJFWSA-N -1 3 389.340 3.092 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2sccc2Br)CCCCC1 ZINC000048443553 564540360 /nfs/dbraw/zinc/54/03/60/564540360.db2.gz BOWOQRHCNVUXLY-UHFFFAOYSA-N -1 3 381.361 3.053 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](CCO)C1CCCCC1 ZINC000126289521 564544163 /nfs/dbraw/zinc/54/41/63/564544163.db2.gz ACVNAOBJLGTJKJ-OAHLLOKOSA-N -1 3 385.302 3.285 20 0 GGADHM CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126327806 564546059 /nfs/dbraw/zinc/54/60/59/564546059.db2.gz IDCCLTLRRBZPIU-UHFFFAOYSA-N -1 3 386.677 3.488 20 0 GGADHM C[S@](=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000126415428 564548812 /nfs/dbraw/zinc/54/88/12/564548812.db2.gz GRJUWMJRJGOKIQ-JOCHJYFZSA-N -1 3 383.267 3.214 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncc(Br)c3)c2)n1 ZINC000049301976 564550282 /nfs/dbraw/zinc/55/02/82/564550282.db2.gz PDBOMXGLVCDMKR-UHFFFAOYSA-N -1 3 399.248 3.409 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cnn(-c3ccccc3Br)c2)on1 ZINC000126531327 564552086 /nfs/dbraw/zinc/55/20/86/564552086.db2.gz MSYUXBSWLUJSIL-LLVKDONJSA-N -1 3 390.241 3.370 20 0 GGADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])n1nnc(-c2ccccc2)n1 ZINC000126538508 564552281 /nfs/dbraw/zinc/55/22/81/564552281.db2.gz FBEJHLWHEYHTSH-SNVBAGLBSA-N -1 3 388.225 3.008 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000049576481 564552408 /nfs/dbraw/zinc/55/24/08/564552408.db2.gz XGDCATJHPUJXNV-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594555 564554652 /nfs/dbraw/zinc/55/46/52/564554652.db2.gz XZVFRTSXNRAFDX-STQMWFEESA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594555 564554653 /nfs/dbraw/zinc/55/46/53/564554653.db2.gz XZVFRTSXNRAFDX-STQMWFEESA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594555 564554656 /nfs/dbraw/zinc/55/46/56/564554656.db2.gz XZVFRTSXNRAFDX-STQMWFEESA-N -1 3 384.237 3.371 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000050345685 564556979 /nfs/dbraw/zinc/55/69/79/564556979.db2.gz AWQUGMJYVQRCKN-UHFFFAOYSA-N -1 3 387.433 3.444 20 0 GGADHM COc1ccc(I)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000050534680 564558837 /nfs/dbraw/zinc/55/88/37/564558837.db2.gz NJQARJIDAOAHBB-UHFFFAOYSA-N -1 3 389.214 3.101 20 0 GGADHM Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126713178 564558829 /nfs/dbraw/zinc/55/88/29/564558829.db2.gz SQQJZOCMMPHYSR-LLVKDONJSA-N -1 3 377.238 3.220 20 0 GGADHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1sccc1Br ZINC000126743644 564561220 /nfs/dbraw/zinc/56/12/20/564561220.db2.gz XKWQVCYCGAXRGN-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM Cc1ccc(NCCCNC(=O)NCc2ccc([O-])c(Br)c2)nc1 ZINC000126809646 564563752 /nfs/dbraw/zinc/56/37/52/564563752.db2.gz HXKXPKGJXMOXOO-UHFFFAOYSA-N -1 3 393.285 3.160 20 0 GGADHM CCCc1csc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)n1 ZINC000126812161 564564047 /nfs/dbraw/zinc/56/40/47/564564047.db2.gz KGIWJKZWOFNMNK-UHFFFAOYSA-N -1 3 383.495 3.034 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1=CCCCCC1 ZINC000127112009 564573237 /nfs/dbraw/zinc/57/32/37/564573237.db2.gz GOOJVCWZLKODNJ-UHFFFAOYSA-N -1 3 376.400 3.356 20 0 GGADHM CSc1nnc(CCC[N-]S(=O)(=O)c2cccs2)n1C1CCCC1 ZINC000052794713 564576098 /nfs/dbraw/zinc/57/60/98/564576098.db2.gz BEDKAGQOVLNRRC-UHFFFAOYSA-N -1 3 386.568 3.088 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)CCC2 ZINC000127249390 564578049 /nfs/dbraw/zinc/57/80/49/564578049.db2.gz WHIJIRAWDLVOFM-UHFFFAOYSA-N -1 3 382.279 3.122 20 0 GGADHM C[C@@H](CS(=O)(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000127280878 564579398 /nfs/dbraw/zinc/57/93/98/564579398.db2.gz WXFWVDRQNRIEDK-LBPRGKRZSA-N -1 3 384.295 3.378 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000127312363 564580386 /nfs/dbraw/zinc/58/03/86/564580386.db2.gz DARCVCBOVOUYAX-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM CCCCOc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000053178898 564582366 /nfs/dbraw/zinc/58/23/66/564582366.db2.gz WMDWFESNKQDUKA-UHFFFAOYSA-N -1 3 382.507 3.234 20 0 GGADHM C[C@]1(c2cccc(NC(=O)CCc3ccc(Cl)s3)c2)NC(=O)[N-]C1=O ZINC000053284873 564585114 /nfs/dbraw/zinc/58/51/14/564585114.db2.gz RXXBZYPUIWRDOT-QGZVFWFLSA-N -1 3 377.853 3.027 20 0 GGADHM CN(C)c1nc2sc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2s1 ZINC000053307948 564585275 /nfs/dbraw/zinc/58/52/75/564585275.db2.gz SASSPZCSTVQZIW-UHFFFAOYSA-N -1 3 396.519 3.048 20 0 GGADHM Cc1ccc2oc(C(=O)NCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2c1 ZINC000127567687 564588202 /nfs/dbraw/zinc/58/82/02/564588202.db2.gz DEIYXFWWRLOKEV-UHFFFAOYSA-N -1 3 398.893 3.164 20 0 GGADHM CN(C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1)c1nccs1 ZINC000053467035 564589334 /nfs/dbraw/zinc/58/93/34/564589334.db2.gz ZYWKJVRQPMDYJU-UHFFFAOYSA-N -1 3 395.897 3.249 20 0 GGADHM CN(CC(F)(F)F)C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000053466961 564589763 /nfs/dbraw/zinc/58/97/63/564589763.db2.gz IFOGDVONOORAAK-UHFFFAOYSA-N -1 3 394.806 3.150 20 0 GGADHM CCSc1nnc([N-]C(=O)c2ccn(-c3cc(C)ccc3OC)n2)s1 ZINC000519952968 564594802 /nfs/dbraw/zinc/59/48/02/564594802.db2.gz LAHBBQCBBDDHDX-UHFFFAOYSA-N -1 3 375.479 3.405 20 0 GGADHM CSc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127770299 564594934 /nfs/dbraw/zinc/59/49/34/564594934.db2.gz SJTAAWPOPNFSPY-UHFFFAOYSA-N -1 3 376.956 3.192 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)c2cccnc12)c1ccc(Cl)s1 ZINC000127834088 564598291 /nfs/dbraw/zinc/59/82/91/564598291.db2.gz WGJRZLQOBCIEKF-UHFFFAOYSA-N -1 3 399.900 3.157 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000127931297 564601919 /nfs/dbraw/zinc/60/19/19/564601919.db2.gz UHZAKEMQNQXOKQ-OAHLLOKOSA-N -1 3 398.937 3.434 20 0 GGADHM CCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000127945590 564601966 /nfs/dbraw/zinc/60/19/66/564601966.db2.gz RGEKPXWVFAREAW-JTQLQIEISA-N -1 3 388.287 3.280 20 0 GGADHM CC(C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000127972630 564602742 /nfs/dbraw/zinc/60/27/42/564602742.db2.gz NQQFDRQNYDENLU-SNVBAGLBSA-N -1 3 388.287 3.136 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)cc1F ZINC000054534194 564606168 /nfs/dbraw/zinc/60/61/68/564606168.db2.gz YVJNWFXKZLOLGJ-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1cc(Cl)ccc1Cl ZINC000054798199 564608894 /nfs/dbraw/zinc/60/88/94/564608894.db2.gz VOOGBRRRGMWOSS-UHFFFAOYSA-N -1 3 397.287 3.112 20 0 GGADHM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc([O-])ccc1Br ZINC000128236923 564611422 /nfs/dbraw/zinc/61/14/22/564611422.db2.gz JADPSODBNXQVRK-INIZCTEOSA-N -1 3 379.254 3.029 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000128231344 564611691 /nfs/dbraw/zinc/61/16/91/564611691.db2.gz XIWLYSVKXRXBGW-JTQLQIEISA-N -1 3 393.212 3.285 20 0 GGADHM O=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc([O-])c1F ZINC000128264991 564613537 /nfs/dbraw/zinc/61/35/37/564613537.db2.gz COPIUURHTBLNLQ-UHFFFAOYSA-N -1 3 381.201 3.052 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000055127473 564615481 /nfs/dbraw/zinc/61/54/81/564615481.db2.gz WKXLIEOLSHWPBU-UHFFFAOYSA-N -1 3 383.267 3.447 20 0 GGADHM Cc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055114115 564615511 /nfs/dbraw/zinc/61/55/11/564615511.db2.gz FPJGQPSNYKDYLV-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000128367995 564616004 /nfs/dbraw/zinc/61/60/04/564616004.db2.gz LQZJFFOSANTYGG-UHFFFAOYSA-N -1 3 377.319 3.054 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Br)ccc2F)c1 ZINC000055219257 564617583 /nfs/dbraw/zinc/61/75/83/564617583.db2.gz NCGFBSGSNMLRRY-UHFFFAOYSA-N -1 3 381.201 3.182 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000128417922 564618145 /nfs/dbraw/zinc/61/81/45/564618145.db2.gz SVDWBHNWZUUJAD-MRXNPFEDSA-N -1 3 377.853 3.408 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1 ZINC000055375287 564620588 /nfs/dbraw/zinc/62/05/88/564620588.db2.gz XNGADSQMSGPXMK-UHFFFAOYSA-N -1 3 379.507 3.426 20 0 GGADHM CCc1cc2c([n-]c(CC(=O)Nc3ccc(OC)c(Cl)c3)nc2=O)s1 ZINC000055494741 564622554 /nfs/dbraw/zinc/62/25/54/564622554.db2.gz HOXWSRHQFBDZGG-UHFFFAOYSA-N -1 3 377.853 3.390 20 0 GGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1cccc(Br)c1 ZINC000128583468 564622956 /nfs/dbraw/zinc/62/29/56/564622956.db2.gz DHAMOAOOAFZLRI-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)c(C)c1 ZINC000055588654 564625789 /nfs/dbraw/zinc/62/57/89/564625789.db2.gz BTOGAZWPOWISKH-UHFFFAOYSA-N -1 3 382.869 3.160 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1 ZINC000055619285 564626143 /nfs/dbraw/zinc/62/61/43/564626143.db2.gz JFJKZJTUPRMLAI-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000055620416 564626518 /nfs/dbraw/zinc/62/65/18/564626518.db2.gz DLVAWVWTHCLDHG-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)s1 ZINC000055638977 564627200 /nfs/dbraw/zinc/62/72/00/564627200.db2.gz NMZJIIWURHABSQ-UHFFFAOYSA-N -1 3 388.917 3.484 20 0 GGADHM CC[C@H](C)Oc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000055641367 564627780 /nfs/dbraw/zinc/62/77/80/564627780.db2.gz GFQGFINICSFOMY-ZDUSSCGKSA-N -1 3 382.507 3.233 20 0 GGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cc(Br)ccc3F)nc12 ZINC000128767047 564629593 /nfs/dbraw/zinc/62/95/93/564629593.db2.gz MDQMEGDMDGJFJD-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM Cc1cc(C)c([N-]c2nnc(SCCNS(C)(=O)=O)s2)c(Cl)c1 ZINC000521676237 564634307 /nfs/dbraw/zinc/63/43/07/564634307.db2.gz FOSPHNFHQNXRLJ-UHFFFAOYSA-N -1 3 392.959 3.193 20 0 GGADHM C[C@H]1CN(CCCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000128965903 564634981 /nfs/dbraw/zinc/63/49/81/564634981.db2.gz IKEJQMNLFJWVMD-STQMWFEESA-N -1 3 395.352 3.161 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000055972529 564636138 /nfs/dbraw/zinc/63/61/38/564636138.db2.gz DNIRXWVMCRBTNZ-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(CC(F)(F)F)cc1 ZINC000129045839 564636563 /nfs/dbraw/zinc/63/65/63/564636563.db2.gz SAEUITLCXDLIMK-UHFFFAOYSA-N -1 3 392.424 3.160 20 0 GGADHM CCNC(=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000056061653 564638231 /nfs/dbraw/zinc/63/82/31/564638231.db2.gz PKAQCOZOPXRAQG-UHFFFAOYSA-N -1 3 387.288 3.222 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccc(Cl)s1 ZINC000056044192 564638721 /nfs/dbraw/zinc/63/87/21/564638721.db2.gz UZKPDIIGLPMWMV-MRVPVSSYSA-N -1 3 388.873 3.465 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1Cl ZINC000129125819 564638900 /nfs/dbraw/zinc/63/89/00/564638900.db2.gz WZIOINQFXGMRES-OASPWFOLSA-N -1 3 380.293 3.238 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000056068717 564639596 /nfs/dbraw/zinc/63/95/96/564639596.db2.gz BBNRUEFYAYSCGW-UHFFFAOYSA-N -1 3 376.297 3.040 20 0 GGADHM CO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000056070359 564639760 /nfs/dbraw/zinc/63/97/60/564639760.db2.gz NVJKDHJHHUSCRL-GFCCVEGCSA-N -1 3 382.869 3.423 20 0 GGADHM COCCOc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129149102 564639910 /nfs/dbraw/zinc/63/99/10/564639910.db2.gz OWEQDZYXICRQGA-OAHLLOKOSA-N -1 3 381.416 3.111 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)nc1 ZINC000056086574 564640097 /nfs/dbraw/zinc/64/00/97/564640097.db2.gz CHTQPNPQVCGTNO-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM O=S(=O)([N-]CCNc1ncccc1C(F)(F)F)c1ccc(F)cc1Cl ZINC000056103559 564641111 /nfs/dbraw/zinc/64/11/11/564641111.db2.gz MLESJOSMDRBBOJ-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM CC(C)c1ccc(CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056115965 564641984 /nfs/dbraw/zinc/64/19/84/564641984.db2.gz RTBBERBXOWRSCA-AWEZNQCLSA-N -1 3 380.535 3.197 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564722063 /nfs/dbraw/zinc/72/20/63/564722063.db2.gz CMXYGDAAVPIFRT-UHFFFAOYSA-N -1 3 394.294 3.258 20 0 GGADHM CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCCO1 ZINC000131742521 564722314 /nfs/dbraw/zinc/72/23/14/564722314.db2.gz WAUHDBOOTXQCBQ-UHFFFAOYSA-N -1 3 378.372 3.100 20 0 GGADHM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000063803362 564723114 /nfs/dbraw/zinc/72/31/14/564723114.db2.gz YHYJXBOGFFWNMI-UHFFFAOYSA-N -1 3 382.869 3.327 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000063803354 564723394 /nfs/dbraw/zinc/72/33/94/564723394.db2.gz YGZJSVXZGMUFPX-UHFFFAOYSA-N -1 3 382.869 3.328 20 0 GGADHM CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000063803256 564723528 /nfs/dbraw/zinc/72/35/28/564723528.db2.gz LRMVSRLSDNYLHS-UHFFFAOYSA-N -1 3 382.869 3.232 20 0 GGADHM CNC(=O)c1sc2[n-]c(-c3ccccc3Br)nc(=O)c2c1C ZINC000063837004 564723641 /nfs/dbraw/zinc/72/36/41/564723641.db2.gz HOYGWHVEXXXKTA-UHFFFAOYSA-N -1 3 378.251 3.082 20 0 GGADHM 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YYUQEKOBUVWTJN-UHFFFAOYSA-N -1 3 392.644 3.390 20 0 GGADHM CN(C)Cc1cccc(NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)c1 ZINC000064488257 564731007 /nfs/dbraw/zinc/73/10/07/564731007.db2.gz VHUDOXLFGWVJTA-UHFFFAOYSA-N -1 3 381.885 3.025 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(F)cc1F ZINC000064599487 564732909 /nfs/dbraw/zinc/73/29/09/564732909.db2.gz QTLXBZBZMARAHB-CYBMUJFWSA-N -1 3 386.489 3.217 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064851437 564736683 /nfs/dbraw/zinc/73/66/83/564736683.db2.gz NSUKZZCMYYKFGP-JTQLQIEISA-N -1 3 388.898 3.024 20 0 GGADHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000064965212 564737106 /nfs/dbraw/zinc/73/71/06/564737106.db2.gz FGTSNFOPJINKJU-NSHDSACASA-N -1 3 395.388 3.299 20 0 GGADHM C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C[C@H]1C ZINC000132294947 564738749 /nfs/dbraw/zinc/73/87/49/564738749.db2.gz ZELCYRZEJMTOMV-QWHCGFSZSA-N -1 3 398.575 3.406 20 0 GGADHM Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000132316991 564739332 /nfs/dbraw/zinc/73/93/32/564739332.db2.gz XYZIHHRVZQBIDC-UHFFFAOYSA-N -1 3 397.656 3.371 20 0 GGADHM CNC(=O)c1ccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cc1 ZINC000065095146 564739545 /nfs/dbraw/zinc/73/95/45/564739545.db2.gz IBVSHAQSCXSDMH-UHFFFAOYSA-N -1 3 399.248 3.451 20 0 GGADHM CNC(=O)c1ccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cc1 ZINC000065095146 564739548 /nfs/dbraw/zinc/73/95/48/564739548.db2.gz IBVSHAQSCXSDMH-UHFFFAOYSA-N -1 3 399.248 3.451 20 0 GGADHM NC(=O)c1cccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1 ZINC000065105876 564739803 /nfs/dbraw/zinc/73/98/03/564739803.db2.gz CXDOXEHCXRJTGK-UHFFFAOYSA-N -1 3 385.221 3.190 20 0 GGADHM NC(=O)c1cccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)c1 ZINC000065105876 564739808 /nfs/dbraw/zinc/73/98/08/564739808.db2.gz CXDOXEHCXRJTGK-UHFFFAOYSA-N -1 3 385.221 3.190 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1cccc(Cl)c1 ZINC000132307053 564739868 /nfs/dbraw/zinc/73/98/68/564739868.db2.gz SUYJUUIQTPOAPI-UHFFFAOYSA-N -1 3 383.629 3.063 20 0 GGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1n[nH]c(C2CC2)c1Br ZINC000065108806 564740682 /nfs/dbraw/zinc/74/06/82/564740682.db2.gz NRXVJZWECTXKOX-UHFFFAOYSA-N -1 3 382.165 3.172 20 0 GGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CCN2CCSCC2)cc1 ZINC000132327673 564740975 /nfs/dbraw/zinc/74/09/75/564740975.db2.gz KELNIOQWIALUBO-UHFFFAOYSA-N -1 3 376.547 3.387 20 0 GGADHM O=S(=O)([N-]CCc1cc(Br)ccc1F)c1ccccc1F ZINC000065277813 564742052 /nfs/dbraw/zinc/74/20/52/564742052.db2.gz LNIUYIOYOIONHH-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(Br)ccc1F ZINC000065203887 564742122 /nfs/dbraw/zinc/74/21/22/564742122.db2.gz XZXCNOCLIALILX-UHFFFAOYSA-N -1 3 387.230 3.059 20 0 GGADHM Cc1cccc([C@@H]2CCCN2C(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000132489771 564744845 /nfs/dbraw/zinc/74/48/45/564744845.db2.gz IFZDGIMKKPHXNE-INIZCTEOSA-N -1 3 378.519 3.089 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2sccc2C)cc1OC ZINC000065788586 564749998 /nfs/dbraw/zinc/74/99/98/564749998.db2.gz AKLGLKMTRHSTBU-UHFFFAOYSA-N -1 3 383.495 3.148 20 0 GGADHM CCOc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000132748997 564752063 /nfs/dbraw/zinc/75/20/63/564752063.db2.gz SAMVGQMGONBOOS-SNVBAGLBSA-N -1 3 388.898 3.106 20 0 GGADHM O=C(c1ccc(Br)cc1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000066050062 564754538 /nfs/dbraw/zinc/75/45/38/564754538.db2.gz VAXKQOQGMCCYEU-UHFFFAOYSA-N -1 3 381.314 3.493 20 0 GGADHM Cc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1I ZINC000132907434 564756896 /nfs/dbraw/zinc/75/68/96/564756896.db2.gz QKPNZNGXEXPOCA-UHFFFAOYSA-N -1 3 385.176 3.374 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCOCC1 ZINC000132986497 564758925 /nfs/dbraw/zinc/75/89/25/564758925.db2.gz BGONLMPTLYPLDC-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCOCC1 ZINC000132974853 564759254 /nfs/dbraw/zinc/75/92/54/564759254.db2.gz ZRXMKTWPCJCBAC-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)(C)[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000133063016 564761695 /nfs/dbraw/zinc/76/16/95/564761695.db2.gz KWNQJBQMWWXARC-QGZVFWFLSA-N -1 3 380.535 3.320 20 0 GGADHM COc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(OC)c1Br ZINC000133066016 564761926 /nfs/dbraw/zinc/76/19/26/564761926.db2.gz VFOPCIQMOURWJT-UHFFFAOYSA-N -1 3 384.201 3.241 20 0 GGADHM CCc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)sc1C ZINC000133065537 564762154 /nfs/dbraw/zinc/76/21/54/564762154.db2.gz JJDSFZZFFRMMKX-UHFFFAOYSA-N -1 3 382.482 3.451 20 0 GGADHM O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(Br)c([O-])c1 ZINC000133090078 564762659 /nfs/dbraw/zinc/76/26/59/564762659.db2.gz FHFRRPBBFVGCDH-UHFFFAOYSA-N -1 3 399.354 3.246 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2c(s1)CCC2 ZINC000133103501 564762952 /nfs/dbraw/zinc/76/29/52/564762952.db2.gz RTRZIDYOCULDDK-UHFFFAOYSA-N -1 3 380.466 3.069 20 0 GGADHM O=C(Cc1cc2c(cc1Br)OCCO2)Nc1cc(F)ccc1[O-] ZINC000133135458 564763896 /nfs/dbraw/zinc/76/38/96/564763896.db2.gz BSRFNSRXXZEUQZ-UHFFFAOYSA-N -1 3 382.185 3.246 20 0 GGADHM O=S(=O)(Cc1nc(C(F)(F)F)cs1)c1nnc(CCC2CCCC2)[n-]1 ZINC000133152517 564764809 /nfs/dbraw/zinc/76/48/09/564764809.db2.gz UGPZYDDMEMOORI-UHFFFAOYSA-N -1 3 394.444 3.377 20 0 GGADHM O=S(=O)(Cc1nc(C(F)(F)F)cs1)c1nc(CCC2CCCC2)n[n-]1 ZINC000133152517 564764813 /nfs/dbraw/zinc/76/48/13/564764813.db2.gz UGPZYDDMEMOORI-UHFFFAOYSA-N -1 3 394.444 3.377 20 0 GGADHM Cn1cc(-c2cccc(C[N-]S(=O)(=O)c3c(F)cccc3Cl)c2)cn1 ZINC000133200809 564765386 /nfs/dbraw/zinc/76/53/86/564765386.db2.gz CLNKAXNLKVJJSW-UHFFFAOYSA-N -1 3 379.844 3.358 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 ZINC000133297181 564769179 /nfs/dbraw/zinc/76/91/79/564769179.db2.gz LYQGWNGHDROVHN-QGZVFWFLSA-N -1 3 392.249 3.377 20 0 GGADHM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000133295363 564769476 /nfs/dbraw/zinc/76/94/76/564769476.db2.gz YKDPAHJSRIQRBY-AWEZNQCLSA-N -1 3 391.320 3.063 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)c2ccc(Br)c([O-])c2)N(C)C)cc1 ZINC000133310498 564770249 /nfs/dbraw/zinc/77/02/49/564770249.db2.gz LIYHACAXDXPHKB-MRXNPFEDSA-N -1 3 377.282 3.496 20 0 GGADHM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000133345520 564771111 /nfs/dbraw/zinc/77/11/11/564771111.db2.gz WXPZOZMIGLORMN-CYBMUJFWSA-N -1 3 391.320 3.063 20 0 GGADHM CCS[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C(C)C ZINC000066601578 564771259 /nfs/dbraw/zinc/77/12/59/564771259.db2.gz VKKOWWYDFLSDEA-CYBMUJFWSA-N -1 3 398.472 3.243 20 0 GGADHM CCS[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C(C)C ZINC000066601577 564771329 /nfs/dbraw/zinc/77/13/29/564771329.db2.gz VKKOWWYDFLSDEA-ZDUSSCGKSA-N -1 3 398.472 3.243 20 0 GGADHM Cc1ccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cc1C(N)=O ZINC000066713798 564773024 /nfs/dbraw/zinc/77/30/24/564773024.db2.gz YBGAHSUJMZPZFX-UHFFFAOYSA-N -1 3 399.248 3.499 20 0 GGADHM Cc1ccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cc1C(N)=O ZINC000066713798 564773027 /nfs/dbraw/zinc/77/30/27/564773027.db2.gz YBGAHSUJMZPZFX-UHFFFAOYSA-N -1 3 399.248 3.499 20 0 GGADHM Cc1ccc2cccc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)c2n1 ZINC000066715570 564774025 /nfs/dbraw/zinc/77/40/25/564774025.db2.gz NVWAESWMYCSWSU-UHFFFAOYSA-N -1 3 395.893 3.175 20 0 GGADHM O=c1[n-]c(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nc2ccsc21 ZINC000066845433 564776838 /nfs/dbraw/zinc/77/68/38/564776838.db2.gz YVHARKAYRSIMTP-CQSZACIVSA-N -1 3 379.844 3.351 20 0 GGADHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1sccc1Br ZINC000066938467 564779269 /nfs/dbraw/zinc/77/92/69/564779269.db2.gz YNXMPJLQKWZCNV-UHFFFAOYSA-N -1 3 391.312 3.010 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)c1ccc(Br)c([O-])c1 ZINC000133595665 564779577 /nfs/dbraw/zinc/77/95/77/564779577.db2.gz XDSRVKWEQCVCFV-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM O=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccc([O-])cc1F ZINC000133827693 564785897 /nfs/dbraw/zinc/78/58/97/564785897.db2.gz GFGNDOGTTWIHCO-UHFFFAOYSA-N -1 3 382.185 3.246 20 0 GGADHM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134118228 564794540 /nfs/dbraw/zinc/79/45/40/564794540.db2.gz FTZGSABIGJJUJO-GFCCVEGCSA-N -1 3 376.400 3.441 20 0 GGADHM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134118424 564794689 /nfs/dbraw/zinc/79/46/89/564794689.db2.gz FTZGSABIGJJUJO-LBPRGKRZSA-N -1 3 376.400 3.441 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000134271349 564798468 /nfs/dbraw/zinc/79/84/68/564798468.db2.gz HPOVVAPVRHOHGG-UHFFFAOYSA-N -1 3 377.282 3.359 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000134279832 564799217 /nfs/dbraw/zinc/79/92/17/564799217.db2.gz DBVCKMOALRGYIZ-UHFFFAOYSA-N -1 3 387.552 3.146 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1ccc2c(c1)COC2 ZINC000068075277 564807698 /nfs/dbraw/zinc/80/76/98/564807698.db2.gz SAOORJGOILASET-UHFFFAOYSA-N -1 3 381.837 3.332 20 0 GGADHM C[C@]1(c2cccc(NC(=O)CCc3cc(Cl)cs3)c2)NC(=O)[N-]C1=O ZINC000134584487 564808035 /nfs/dbraw/zinc/80/80/35/564808035.db2.gz IECLFAZXYUSNKD-QGZVFWFLSA-N -1 3 377.853 3.027 20 0 GGADHM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1F ZINC000134600504 564808110 /nfs/dbraw/zinc/80/81/10/564808110.db2.gz UZXJJLUBPFOSEK-UHFFFAOYSA-N -1 3 386.470 3.087 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000134606082 564808905 /nfs/dbraw/zinc/80/89/05/564808905.db2.gz OHWPGPLKESTHQD-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1 ZINC000068192903 564811725 /nfs/dbraw/zinc/81/17/25/564811725.db2.gz XMEOSAOCJMFHIQ-UHFFFAOYSA-N -1 3 392.786 3.276 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000068382586 564816498 /nfs/dbraw/zinc/81/64/98/564816498.db2.gz YNPDBSMBVHCGQN-GFCCVEGCSA-N -1 3 398.937 3.260 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000068382596 564816520 /nfs/dbraw/zinc/81/65/20/564816520.db2.gz RXKBJBHFOUBYLZ-RYUDHWBXSA-N -1 3 386.926 3.288 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000068382935 564816541 /nfs/dbraw/zinc/81/65/41/564816541.db2.gz RTHLPUDVGWCVPH-NEPJUHHUSA-N -1 3 386.926 3.288 20 0 GGADHM CC(C)C[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000068382320 564816547 /nfs/dbraw/zinc/81/65/47/564816547.db2.gz OMCMGWWFHCMOQD-HOCLYGCPSA-N -1 3 380.535 3.319 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068383287 564816655 /nfs/dbraw/zinc/81/66/55/564816655.db2.gz FSMBOPPLCUWOPY-GFCCVEGCSA-N -1 3 386.926 3.117 20 0 GGADHM CC(C)[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000068382317 564816722 /nfs/dbraw/zinc/81/67/22/564816722.db2.gz BAHGKLWNKLEOTL-LRDDRELGSA-N -1 3 384.498 3.068 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068382788 564816881 /nfs/dbraw/zinc/81/68/81/564816881.db2.gz SOWGDUIURJWWMA-WCQYABFASA-N -1 3 384.548 3.012 20 0 GGADHM CC[C@@H]1CCc2nc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000068385489 564816990 /nfs/dbraw/zinc/81/69/90/564816990.db2.gz FDOWMOJGOSUMMB-WDEREUQCSA-N -1 3 399.563 3.025 20 0 GGADHM Cc1ccc(CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)C(C)C)s1 ZINC000068383992 564817171 /nfs/dbraw/zinc/81/71/71/564817171.db2.gz QSANYQIVDJDUEZ-CYBMUJFWSA-N -1 3 386.564 3.222 20 0 GGADHM Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1c[n-]nn1 ZINC000135093468 564823888 /nfs/dbraw/zinc/82/38/88/564823888.db2.gz FAVQLIZKPMLJIP-QMMMGPOBSA-N -1 3 392.282 3.490 20 0 GGADHM Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cnn[n-]1 ZINC000135093468 564823894 /nfs/dbraw/zinc/82/38/94/564823894.db2.gz FAVQLIZKPMLJIP-QMMMGPOBSA-N -1 3 392.282 3.490 20 0 GGADHM Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cn[n-]n1 ZINC000135093468 564823900 /nfs/dbraw/zinc/82/39/00/564823900.db2.gz FAVQLIZKPMLJIP-QMMMGPOBSA-N -1 3 392.282 3.490 20 0 GGADHM COc1cc(C(=O)[N-]c2nncn2Cc2ccccc2)sc1Br ZINC000135136785 564825176 /nfs/dbraw/zinc/82/51/76/564825176.db2.gz XRJIBTMCAXORSN-UHFFFAOYSA-N -1 3 393.266 3.411 20 0 GGADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000135327225 564828163 /nfs/dbraw/zinc/82/81/63/564828163.db2.gz HJURLJNVNFCHOR-UHFFFAOYSA-N -1 3 386.470 3.121 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@H](NCc2ncc(Br)cc2Br)C1 ZINC000135399279 564829817 /nfs/dbraw/zinc/82/98/17/564829817.db2.gz NKDDQBGCUUEKTL-SCZZXKLOSA-N -1 3 392.091 3.340 20 0 GGADHM O=C([O-])C1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC000135397467 564830365 /nfs/dbraw/zinc/83/03/65/564830365.db2.gz RJCMUWDVBAMBHP-UHFFFAOYSA-N -1 3 392.091 3.340 20 0 GGADHM CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000069006514 564831765 /nfs/dbraw/zinc/83/17/65/564831765.db2.gz BVMGECVIXFWVQK-UHFFFAOYSA-N -1 3 384.251 3.201 20 0 GGADHM O=C(NCC1(O)CCCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000135619451 564836542 /nfs/dbraw/zinc/83/65/42/564836542.db2.gz WPENOHQFMWIHQI-UHFFFAOYSA-N -1 3 393.281 3.106 20 0 GGADHM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000135639239 564837583 /nfs/dbraw/zinc/83/75/83/564837583.db2.gz WUFWGEZWRTXCSK-UHFFFAOYSA-N -1 3 394.301 3.339 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H]2CCC(C)C)s1 ZINC000069363919 564838785 /nfs/dbraw/zinc/83/87/85/564838785.db2.gz FCJVGXINZFLECL-ZFWWWQNUSA-N -1 3 387.571 3.060 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c(Cl)c1 ZINC000135968175 564843117 /nfs/dbraw/zinc/84/31/17/564843117.db2.gz QGMXBYAPEJRLOC-UHFFFAOYSA-N -1 3 382.869 3.126 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(Cl)c1 ZINC000135965396 564843154 /nfs/dbraw/zinc/84/31/54/564843154.db2.gz OIHWYAPDMJJLCL-UHFFFAOYSA-N -1 3 389.260 3.162 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(Cl)c1 ZINC000135971085 564843254 /nfs/dbraw/zinc/84/32/54/564843254.db2.gz OAMQYMBYXIBFBG-UHFFFAOYSA-N -1 3 390.795 3.102 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(Cl)c1 ZINC000135976262 564843919 /nfs/dbraw/zinc/84/39/19/564843919.db2.gz UWUNWEURRBZDCS-UHFFFAOYSA-N -1 3 382.869 3.126 20 0 GGADHM CCCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000136216088 564846890 /nfs/dbraw/zinc/84/68/90/564846890.db2.gz MCJJFNDFJBTOQQ-UHFFFAOYSA-N -1 3 382.869 3.379 20 0 GGADHM C[C@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000070673113 564849958 /nfs/dbraw/zinc/84/99/58/564849958.db2.gz KOFOLJXSPPUJEA-NSHDSACASA-N -1 3 379.309 3.063 20 0 GGADHM C[C@@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000070673108 564850064 /nfs/dbraw/zinc/85/00/64/564850064.db2.gz KOFOLJXSPPUJEA-LLVKDONJSA-N -1 3 379.309 3.063 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000070694783 564850435 /nfs/dbraw/zinc/85/04/35/564850435.db2.gz OKLPZBOCFJIILO-ZDUSSCGKSA-N -1 3 384.548 3.014 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000071843292 564858041 /nfs/dbraw/zinc/85/80/41/564858041.db2.gz QUDOACQYBVWSEX-UHFFFAOYSA-N -1 3 398.893 3.294 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1cccc(Br)c1 ZINC000147739308 564883793 /nfs/dbraw/zinc/88/37/93/564883793.db2.gz UYGPFNIQDLUQQV-UHFFFAOYSA-N -1 3 392.072 3.407 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)c1 ZINC000137185477 564859420 /nfs/dbraw/zinc/85/94/20/564859420.db2.gz HDWIRCLROSXXTI-UHFFFAOYSA-N -1 3 386.470 3.085 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1 ZINC000072074484 564860846 /nfs/dbraw/zinc/86/08/46/564860846.db2.gz PKYLTMXDZPYVIE-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM C[C@H](Cc1ccc(O)cc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000137274807 564861538 /nfs/dbraw/zinc/86/15/38/564861538.db2.gz BXXNWMYLZZRFPL-LLVKDONJSA-N -1 3 379.254 3.291 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccccc1 ZINC000079305926 564866776 /nfs/dbraw/zinc/86/67/76/564866776.db2.gz DNHPLCHWZNREGH-JTQLQIEISA-N -1 3 376.297 3.256 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)sc1Br ZINC000091815252 564872323 /nfs/dbraw/zinc/87/23/23/564872323.db2.gz PKDZCPOGYXYVPH-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000141943130 564874666 /nfs/dbraw/zinc/87/46/66/564874666.db2.gz VYAIMQQZSJTKLB-BBRMVZONSA-N -1 3 380.535 3.319 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142028371 564874676 /nfs/dbraw/zinc/87/46/76/564874676.db2.gz HQLBTZVIVLNKPV-GDBMZVCRSA-N -1 3 378.519 3.087 20 0 GGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142028562 564874713 /nfs/dbraw/zinc/87/47/13/564874713.db2.gz HQLBTZVIVLNKPV-HOCLYGCPSA-N -1 3 378.519 3.087 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000142109909 564875292 /nfs/dbraw/zinc/87/52/92/564875292.db2.gz YNPUESRKTRYTBR-LBPRGKRZSA-N -1 3 379.503 3.453 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)CCCC2 ZINC000142110118 564875548 /nfs/dbraw/zinc/87/55/48/564875548.db2.gz YNPUESRKTRYTBR-GFCCVEGCSA-N -1 3 379.503 3.453 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC000143449660 564876450 /nfs/dbraw/zinc/87/64/50/564876450.db2.gz NACLYHNNJFQAAI-KRWDZBQOSA-N -1 3 392.249 3.377 20 0 GGADHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000143431745 564876783 /nfs/dbraw/zinc/87/67/83/564876783.db2.gz ZTZNJSNRRVPOIA-UHFFFAOYSA-N -1 3 390.324 3.430 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1CC1CCCCC1 ZINC000145959800 564879877 /nfs/dbraw/zinc/87/98/77/564879877.db2.gz WSJOQCPRNACQBK-MRXNPFEDSA-N -1 3 384.567 3.378 20 0 GGADHM CCCCN1CCC([N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000150129402 564886788 /nfs/dbraw/zinc/88/67/88/564886788.db2.gz VQDMMOGBINXJSB-UHFFFAOYSA-N -1 3 395.388 3.362 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)sc1Br ZINC000150126826 564887295 /nfs/dbraw/zinc/88/72/95/564887295.db2.gz QGGRIARVCZSEJR-UHFFFAOYSA-N -1 3 390.280 3.026 20 0 GGADHM O=C1CCCCN1CC1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000093532248 564887679 /nfs/dbraw/zinc/88/76/79/564887679.db2.gz ZTISHZMINPHHPV-UHFFFAOYSA-N -1 3 381.314 3.379 20 0 GGADHM CC[C@@](C)(NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1nc(C)cs1 ZINC000150740408 564888696 /nfs/dbraw/zinc/88/86/96/564888696.db2.gz SEXGQJKPNQRIEJ-MRXNPFEDSA-N -1 3 385.486 3.017 20 0 GGADHM CCc1nsc(N2CCCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000093871609 564891756 /nfs/dbraw/zinc/89/17/56/564891756.db2.gz UNSAMTWTJQHACE-UHFFFAOYSA-N -1 3 397.342 3.281 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1F ZINC000093906302 564892769 /nfs/dbraw/zinc/89/27/69/564892769.db2.gz NGEAPSKGVLOSDO-UHFFFAOYSA-N -1 3 394.534 3.080 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(CC)(CC)CC)cc1F ZINC000093921192 564893713 /nfs/dbraw/zinc/89/37/13/564893713.db2.gz BSIZIRQOJXVJPJ-UHFFFAOYSA-N -1 3 394.534 3.225 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)CC)cc1F ZINC000093921551 564893962 /nfs/dbraw/zinc/89/39/62/564893962.db2.gz RAMCGZLILLXLIG-CHWSQXEVSA-N -1 3 394.534 3.080 20 0 GGADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000093944600 564894520 /nfs/dbraw/zinc/89/45/20/564894520.db2.gz XFCPPDUBJCDKCM-UHFFFAOYSA-N -1 3 375.437 3.144 20 0 GGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(Br)cc2[O-])o1 ZINC000094068082 564895369 /nfs/dbraw/zinc/89/53/69/564895369.db2.gz AARLRPOWWBGHCR-UHFFFAOYSA-N -1 3 381.270 3.260 20 0 GGADHM CC(C)C[C@H](CCO)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000150948523 564898338 /nfs/dbraw/zinc/89/83/38/564898338.db2.gz FBUZZNCDAGVPKB-LBPRGKRZSA-N -1 3 395.297 3.065 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000150964760 564899730 /nfs/dbraw/zinc/89/97/30/564899730.db2.gz ASNLCBNIRPAVLA-CABCVRRESA-N -1 3 393.285 3.334 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1cc(Cl)ccc1Cl ZINC000096383961 564900842 /nfs/dbraw/zinc/90/08/42/564900842.db2.gz KKPXUYUSOPPPMF-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM CC(C)(C)c1cnc(CNC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000151009597 564902014 /nfs/dbraw/zinc/90/20/14/564902014.db2.gz GMCGQBWWLJLJIA-UHFFFAOYSA-N -1 3 382.258 3.440 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1c(Cl)cccc1C(F)(F)F ZINC000151040112 564902617 /nfs/dbraw/zinc/90/26/17/564902617.db2.gz WTCZBMKRVXCYRI-UHFFFAOYSA-N -1 3 382.835 3.264 20 0 GGADHM COc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)ccn1 ZINC000151044242 564903446 /nfs/dbraw/zinc/90/34/46/564903446.db2.gz QBGOROVQXRKLBU-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171707 564908382 /nfs/dbraw/zinc/90/83/82/564908382.db2.gz WWFMNARWXIGEIC-LLVKDONJSA-N -1 3 382.835 3.121 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1c(F)cccc1F ZINC000097572925 564908665 /nfs/dbraw/zinc/90/86/65/564908665.db2.gz OTUHLAZBXYJKJV-NSHDSACASA-N -1 3 380.869 3.261 20 0 GGADHM Cc1cscc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000151190153 564909001 /nfs/dbraw/zinc/90/90/01/564909001.db2.gz PPKAZNHSOFDRJE-SNVBAGLBSA-N -1 3 392.424 3.381 20 0 GGADHM CC(=O)Nc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)ccc1Cl ZINC000097600697 564909285 /nfs/dbraw/zinc/90/92/85/564909285.db2.gz NIVHZVAUJZZJFN-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM Cc1cc(NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)ccn1 ZINC000101631058 564919230 /nfs/dbraw/zinc/91/92/30/564919230.db2.gz KFQJVJHIKXRPFH-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM CCOc1cc(C=Cc2nc3cnccc3c(=O)[nH]2)cc(Br)c1[O-] ZINC000151460487 564921364 /nfs/dbraw/zinc/92/13/64/564921364.db2.gz HVKARTMEPSAREG-ONEGZZNKSA-N -1 3 388.221 3.355 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000151531966 564925192 /nfs/dbraw/zinc/92/51/92/564925192.db2.gz ONNIUCPBIQNAOK-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151544153 564925425 /nfs/dbraw/zinc/92/54/25/564925425.db2.gz FTCMDYUIRFQIMJ-UHFFFAOYSA-N -1 3 381.201 3.182 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000151537708 564925561 /nfs/dbraw/zinc/92/55/61/564925561.db2.gz IQRVXFQEBGUUIA-UHFFFAOYSA-N -1 3 399.244 3.440 20 0 GGADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151557703 564926073 /nfs/dbraw/zinc/92/60/73/564926073.db2.gz TWVRAMLXAWSBLD-GXTWGEPZSA-N -1 3 397.313 3.056 20 0 GGADHM O=c1[nH]c(Cc2nc(-c3ccccc3)n[n-]2)nc2ccc(Br)cc12 ZINC000102190426 564926918 /nfs/dbraw/zinc/92/69/18/564926918.db2.gz WJNPPYHMRINSHV-UHFFFAOYSA-N -1 3 382.221 3.062 20 0 GGADHM O=c1[nH]c(Cc2nnc(-c3ccccc3)[n-]2)nc2ccc(Br)cc12 ZINC000102190426 564926922 /nfs/dbraw/zinc/92/69/22/564926922.db2.gz WJNPPYHMRINSHV-UHFFFAOYSA-N -1 3 382.221 3.062 20 0 GGADHM O=c1[nH]c(Cc2n[n-]c(-c3ccccc3)n2)nc2ccc(Br)cc12 ZINC000102190426 564926924 /nfs/dbraw/zinc/92/69/24/564926924.db2.gz WJNPPYHMRINSHV-UHFFFAOYSA-N -1 3 382.221 3.062 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151568511 564927022 /nfs/dbraw/zinc/92/70/22/564927022.db2.gz LQGKDEOCQCUPLF-UHFFFAOYSA-N -1 3 387.274 3.074 20 0 GGADHM Cc1nc(-c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2)n[nH]1 ZINC000151578025 564927411 /nfs/dbraw/zinc/92/74/11/564927411.db2.gz JEOYSMYWUNLLST-UHFFFAOYSA-N -1 3 387.237 3.178 20 0 GGADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)cc(OC)c1C ZINC000151571895 564927556 /nfs/dbraw/zinc/92/75/56/564927556.db2.gz JBTOGPRTJGEXQK-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000151595044 564928114 /nfs/dbraw/zinc/92/81/14/564928114.db2.gz INTWJNWESIJWOJ-QGZVFWFLSA-N -1 3 376.250 3.391 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151614060 564929021 /nfs/dbraw/zinc/92/90/21/564929021.db2.gz DZAXARUMNNRDJN-ZDUSSCGKSA-N -1 3 397.313 3.056 20 0 GGADHM CC[S@@](=O)c1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151605611 564929278 /nfs/dbraw/zinc/92/92/78/564929278.db2.gz CEKNNSJLJAXBFW-QFIPXVFZSA-N -1 3 382.279 3.212 20 0 GGADHM COc1cccc(OC)c1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151615012 564929322 /nfs/dbraw/zinc/92/93/22/564929322.db2.gz PUQMGLRSOGAWRP-UHFFFAOYSA-N -1 3 380.238 3.031 20 0 GGADHM Cc1onc(-c2ccccn2)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151597559 564929349 /nfs/dbraw/zinc/92/93/49/564929349.db2.gz QWWFVLDXBLBZFI-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM Cc1nn2cccnc2c1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000102468980 564930237 /nfs/dbraw/zinc/93/02/37/564930237.db2.gz DIUIQJIAVOKNRJ-UHFFFAOYSA-N -1 3 388.503 3.495 20 0 GGADHM O=C(CSc1ccccc1Cl)NCCCNC(=O)c1cccc([O-])c1 ZINC000102471715 564930276 /nfs/dbraw/zinc/93/02/76/564930276.db2.gz WHPOYXOLLBBWAS-UHFFFAOYSA-N -1 3 378.881 3.074 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(-c2ccc(F)cc2)n1 ZINC000151643076 564931138 /nfs/dbraw/zinc/93/11/38/564931138.db2.gz XOEGXTWIBBRMFX-UHFFFAOYSA-N -1 3 390.212 3.410 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000102748367 564934008 /nfs/dbraw/zinc/93/40/08/564934008.db2.gz RVVQVYIXTNERLZ-UHFFFAOYSA-N -1 3 397.371 3.049 20 0 GGADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc2c(c1)OCCO2 ZINC000102748300 564934141 /nfs/dbraw/zinc/93/41/41/564934141.db2.gz QQJUULIAVCQSMP-UHFFFAOYSA-N -1 3 377.315 3.417 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1scnc1-c1ccccc1 ZINC000102759097 564934771 /nfs/dbraw/zinc/93/47/71/564934771.db2.gz ALQJPPWDLDCONP-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1scnc1-c1ccccc1 ZINC000102759095 564934793 /nfs/dbraw/zinc/93/47/93/564934793.db2.gz ALQJPPWDLDCONP-NSHDSACASA-N -1 3 393.515 3.177 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000102751985 564935460 /nfs/dbraw/zinc/93/54/60/564935460.db2.gz TXHWKUYRNDFEAY-UHFFFAOYSA-N -1 3 382.511 3.240 20 0 GGADHM CS(=O)(=O)c1cccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)c1 ZINC000151846614 564939199 /nfs/dbraw/zinc/93/91/99/564939199.db2.gz DIKLOXSSWUDNIR-UHFFFAOYSA-N -1 3 375.837 3.386 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2ccc(F)c(F)c2)CC1)c1cccs1 ZINC000151894576 564940241 /nfs/dbraw/zinc/94/02/41/564940241.db2.gz GIACPAAXZAQEOP-UHFFFAOYSA-N -1 3 386.489 3.012 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000103058273 564942240 /nfs/dbraw/zinc/94/22/40/564942240.db2.gz UVONSCGTZQGRAE-UHFFFAOYSA-N -1 3 396.749 3.398 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cs1 ZINC000103159725 564943737 /nfs/dbraw/zinc/94/37/37/564943737.db2.gz UOELYHRZHXLKBF-UHFFFAOYSA-N -1 3 382.404 3.384 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C)c1 ZINC000103152377 564943742 /nfs/dbraw/zinc/94/37/42/564943742.db2.gz YRZKGKSHETVWOC-UHFFFAOYSA-N -1 3 384.860 3.321 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC000103157228 564943906 /nfs/dbraw/zinc/94/39/06/564943906.db2.gz PIVKQAJHRRHRFX-AWEZNQCLSA-N -1 3 389.807 3.201 20 0 GGADHM COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000152039933 564945151 /nfs/dbraw/zinc/94/51/51/564945151.db2.gz LUYPZXKTWPZYME-UHFFFAOYSA-N -1 3 381.226 3.494 20 0 GGADHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000103421194 564948002 /nfs/dbraw/zinc/94/80/02/564948002.db2.gz WRIGOJPTOSTYCS-UHFFFAOYSA-N -1 3 379.507 3.317 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)sc1C ZINC000152182549 564949572 /nfs/dbraw/zinc/94/95/72/564949572.db2.gz IRHIMILESWYTLN-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)sc1C ZINC000152191584 564950250 /nfs/dbraw/zinc/95/02/50/564950250.db2.gz 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CCCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000104634241 564957600 /nfs/dbraw/zinc/95/76/00/564957600.db2.gz AJDWOSWKHHRXIV-SNVBAGLBSA-N -1 3 382.404 3.221 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCc2ccccc2)cc1Cl ZINC000104732278 564958257 /nfs/dbraw/zinc/95/82/57/564958257.db2.gz RDAYWUWLAZYCKW-UHFFFAOYSA-N -1 3 384.860 3.349 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2F)cc1Cl ZINC000104733002 564958527 /nfs/dbraw/zinc/95/85/27/564958527.db2.gz HLQOIDDXIPODEQ-UHFFFAOYSA-N -1 3 388.823 3.098 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)cc1Cl ZINC000104737353 564959224 /nfs/dbraw/zinc/95/92/24/564959224.db2.gz LITCEAZWZWKWAO-GFCCVEGCSA-N -1 3 382.844 3.056 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1nc(C)cs1 ZINC000104760211 564959992 /nfs/dbraw/zinc/95/99/92/564959992.db2.gz GMTPMHLVDWRITG-MRXNPFEDSA-N -1 3 376.507 3.126 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1nc(C)cs1 ZINC000104759980 564960241 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Cc1ccc([O-])c(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n1 ZINC000153100538 564984612 /nfs/dbraw/zinc/98/46/12/564984612.db2.gz MTQFTTZOGQDHOE-UHFFFAOYSA-N -1 3 380.275 3.360 20 0 GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000106722520 564987550 /nfs/dbraw/zinc/98/75/50/564987550.db2.gz PSQASKYLOIHMMM-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000106722504 564987764 /nfs/dbraw/zinc/98/77/64/564987764.db2.gz SQSIPXZUKFGWSZ-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3[O-])s2)CC1 ZINC000106902605 564991485 /nfs/dbraw/zinc/99/14/85/564991485.db2.gz OAOLSGCPLMAHCR-UHFFFAOYSA-N -1 3 380.491 3.127 20 0 GGADHM CC1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000153403397 564993755 /nfs/dbraw/zinc/99/37/55/564993755.db2.gz HNPDFBKCHVZAEF-UHFFFAOYSA-N -1 3 396.228 3.005 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2ccccc2Br)CC1 ZINC000153469670 564996831 /nfs/dbraw/zinc/99/68/31/564996831.db2.gz ZQOBIQJSWUFSOJ-UHFFFAOYSA-N -1 3 385.283 3.064 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)c1 ZINC000153474084 564996862 /nfs/dbraw/zinc/99/68/62/564996862.db2.gz GEEVOJNFWHROED-UHFFFAOYSA-N -1 3 384.299 3.194 20 0 GGADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(I)c1 ZINC000107428357 564998815 /nfs/dbraw/zinc/99/88/15/564998815.db2.gz AWZWDVKFYOOXME-UHFFFAOYSA-N -1 3 377.232 3.334 20 0 GGADHM CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153528458 564999599 /nfs/dbraw/zinc/99/95/99/564999599.db2.gz NLDXGCRFGPNUNL-UHFFFAOYSA-N -1 3 382.869 3.232 20 0 GGADHM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153535324 564999616 /nfs/dbraw/zinc/99/96/16/564999616.db2.gz OFMJSWLLQPNBJG-UHFFFAOYSA-N -1 3 382.869 3.375 20 0 GGADHM O=C(CNC(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1[O-] ZINC000153641886 565003969 /nfs/dbraw/zinc/00/39/69/565003969.db2.gz MZYWDGBNTYRXLV-UHFFFAOYSA-N -1 3 389.658 3.238 20 0 GGADHM CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1Cl ZINC000153640822 565004155 /nfs/dbraw/zinc/00/41/55/565004155.db2.gz YNRAUMDMGIYSFI-UHFFFAOYSA-N -1 3 375.233 3.323 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(C[S@](=O)c3ccc([O-])cc3)cs2)cc1 ZINC000108085842 565005777 /nfs/dbraw/zinc/00/57/77/565005777.db2.gz URSPDBQEHXDPBH-XMMPIXPASA-N -1 3 393.511 3.227 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(C[S@@](=O)c3ccc([O-])cc3)cs2)cc1 ZINC000108085839 565005797 /nfs/dbraw/zinc/00/57/97/565005797.db2.gz URSPDBQEHXDPBH-DEOSSOPVSA-N -1 3 393.511 3.227 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000153690104 565006371 /nfs/dbraw/zinc/00/63/71/565006371.db2.gz NNCZTWHZNURNIV-UHFFFAOYSA-N -1 3 380.853 3.082 20 0 GGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153691883 565006487 /nfs/dbraw/zinc/00/64/87/565006487.db2.gz GUULAYXXZNQACU-NXEZZACHSA-N -1 3 380.304 3.179 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000153723316 565008186 /nfs/dbraw/zinc/00/81/86/565008186.db2.gz CCIRHKXUCKSXGE-UHFFFAOYSA-N -1 3 379.816 3.197 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCc1ccc2ccccc2c1 ZINC000153743186 565009032 /nfs/dbraw/zinc/00/90/32/565009032.db2.gz HNPDAAINRMUFFV-UHFFFAOYSA-N -1 3 394.905 3.149 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000108404675 565011107 /nfs/dbraw/zinc/01/11/07/565011107.db2.gz JBXIASSXFFHQFI-UHFFFAOYSA-N -1 3 382.404 3.439 20 0 GGADHM CCCOc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000153790555 565011976 /nfs/dbraw/zinc/01/19/76/565011976.db2.gz SCWJDBSFXHEFJR-UHFFFAOYSA-N -1 3 388.898 3.107 20 0 GGADHM CCCc1nnc([N-]C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)s1 ZINC000108678311 565015459 /nfs/dbraw/zinc/01/54/59/565015459.db2.gz KOYPFUFSPAJUAU-UHFFFAOYSA-N -1 3 380.836 3.425 20 0 GGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153900890 565016103 /nfs/dbraw/zinc/01/61/03/565016103.db2.gz IOOKFIUGAWVJCL-UHFFFAOYSA-N -1 3 380.304 3.323 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1cc(Cl)cc(Cl)c1 ZINC000108834164 565017061 /nfs/dbraw/zinc/01/70/61/565017061.db2.gz DTCGYLMVNGWSSS-UHFFFAOYSA-N -1 3 391.345 3.392 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1ccc(Cl)c(Cl)c1 ZINC000108829496 565017550 /nfs/dbraw/zinc/01/75/50/565017550.db2.gz CQOCSGHLUJJONS-UHFFFAOYSA-N -1 3 391.345 3.392 20 0 GGADHM C[C@@H](c1ccco1)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000153952284 565018828 /nfs/dbraw/zinc/01/88/28/565018828.db2.gz NUWLXYWNFGRACN-JTQLQIEISA-N -1 3 388.898 3.025 20 0 GGADHM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000109127427 565021468 /nfs/dbraw/zinc/02/14/68/565021468.db2.gz PLFXUIQMIHONMY-UHFFFAOYSA-N -1 3 380.853 3.047 20 0 GGADHM CC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000109164379 565021552 /nfs/dbraw/zinc/02/15/52/565021552.db2.gz GGOAZRIKSPAMLJ-RISCZKNCSA-N -1 3 386.926 3.336 20 0 GGADHM CN(CCC1CC1)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000154004720 565021873 /nfs/dbraw/zinc/02/18/73/565021873.db2.gz WWUZGONRCTZZHS-UHFFFAOYSA-N -1 3 384.548 3.160 20 0 GGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000154056237 565023759 /nfs/dbraw/zinc/02/37/59/565023759.db2.gz BEBBLXDYGPMFFC-UHFFFAOYSA-N -1 3 380.470 3.070 20 0 GGADHM CSCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000109300725 565024148 /nfs/dbraw/zinc/02/41/48/565024148.db2.gz MLHCIPKRZYKWNC-UHFFFAOYSA-N -1 3 390.939 3.182 20 0 GGADHM Cc1noc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000109379193 565024871 /nfs/dbraw/zinc/02/48/71/565024871.db2.gz HZHGTSLWMXTTGV-UHFFFAOYSA-N -1 3 385.873 3.274 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)c1 ZINC000154221885 565030304 /nfs/dbraw/zinc/03/03/04/565030304.db2.gz MDDHDQUQLNCIJI-CYBMUJFWSA-N -1 3 378.523 3.058 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)s1 ZINC000154220102 565030395 /nfs/dbraw/zinc/03/03/95/565030395.db2.gz SYWBGBNVSKSNFO-SNVBAGLBSA-N -1 3 396.515 3.054 20 0 GGADHM Cc1ncc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)s1 ZINC000109727889 565031252 /nfs/dbraw/zinc/03/12/52/565031252.db2.gz OAAKXFJKKJRREQ-UHFFFAOYSA-N -1 3 378.255 3.106 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1Cl ZINC000154260539 565031652 /nfs/dbraw/zinc/03/16/52/565031652.db2.gz XAXKVJUBFVCKSJ-ZDUSSCGKSA-N -1 3 379.787 3.371 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000109815350 565032094 /nfs/dbraw/zinc/03/20/94/565032094.db2.gz OZZZILROADMOGU-BXUZGUMPSA-N -1 3 394.306 3.462 20 0 GGADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000109815352 565032252 /nfs/dbraw/zinc/03/22/52/565032252.db2.gz OZZZILROADMOGU-SMDDNHRTSA-N -1 3 394.306 3.462 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154319434 565034378 /nfs/dbraw/zinc/03/43/78/565034378.db2.gz HSFHVDHISCWDBH-XOKHGSTOSA-N -1 3 394.290 3.074 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(OCC(F)(F)F)cc1 ZINC000154408796 565037485 /nfs/dbraw/zinc/03/74/85/565037485.db2.gz OJSCNCOIEHEYBC-UHFFFAOYSA-N -1 3 381.397 3.176 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000110590580 565042394 /nfs/dbraw/zinc/04/23/94/565042394.db2.gz PPNFONBGVSSVBT-UHFFFAOYSA-N -1 3 387.230 3.347 20 0 GGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(Br)c([O-])c2)o1 ZINC000154531235 565043280 /nfs/dbraw/zinc/04/32/80/565043280.db2.gz BWINXPJWAAMWOI-UHFFFAOYSA-N -1 3 381.270 3.260 20 0 GGADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000154554059 565044032 /nfs/dbraw/zinc/04/40/32/565044032.db2.gz XSUJNCQEJBLELE-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CC2(C(C)C)CC2)c(OC)cc1Br ZINC000154616340 565046820 /nfs/dbraw/zinc/04/68/20/565046820.db2.gz AAXGMEWUORCZFX-UHFFFAOYSA-N -1 3 392.315 3.181 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H](C)CC(C)C)c(OC)cc1Br ZINC000154799865 565052775 /nfs/dbraw/zinc/05/27/75/565052775.db2.gz BTMGQULGIMDLJS-SNVBAGLBSA-N -1 3 380.304 3.179 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H](C)CC(C)C)c(OC)cc1Br ZINC000154799963 565053088 /nfs/dbraw/zinc/05/30/88/565053088.db2.gz BTMGQULGIMDLJS-JTQLQIEISA-N -1 3 380.304 3.179 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cs1 ZINC000111362747 565053365 /nfs/dbraw/zinc/05/33/65/565053365.db2.gz RPQWJTWYBIGYEO-SECBINFHSA-N -1 3 388.898 3.170 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1ccccc1Cl ZINC000111347924 565053654 /nfs/dbraw/zinc/05/36/54/565053654.db2.gz OMEBCUHGRYPNRL-SNVBAGLBSA-N -1 3 391.301 3.139 20 0 GGADHM COc1cc(NC(=O)[N-]c2nnc3ccccn32)cc(OC)c1Br ZINC000537255354 565055754 /nfs/dbraw/zinc/05/57/54/565055754.db2.gz SXVBEARIUMQJQR-UHFFFAOYSA-N -1 3 392.213 3.153 20 0 GGADHM CCc1ccccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000154874819 565055803 /nfs/dbraw/zinc/05/58/03/565055803.db2.gz VCOVSXXVGSUVRF-UHFFFAOYSA-N -1 3 387.914 3.064 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000155019154 565059937 /nfs/dbraw/zinc/05/99/37/565059937.db2.gz LQEFKUKZERCGCF-UHFFFAOYSA-N -1 3 392.177 3.257 20 0 GGADHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccsc1 ZINC000155037017 565060331 /nfs/dbraw/zinc/06/03/31/565060331.db2.gz GEIRZBJIEKSTTN-JTQLQIEISA-N -1 3 392.424 3.331 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1C ZINC000155106689 565061955 /nfs/dbraw/zinc/06/19/55/565061955.db2.gz XBNUZSGJVIGKEY-UHFFFAOYSA-N -1 3 396.822 3.089 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000155128787 565062682 /nfs/dbraw/zinc/06/26/82/565062682.db2.gz PJAXBRMSRLTBGM-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000112360951 565062958 /nfs/dbraw/zinc/06/29/58/565062958.db2.gz XKXLDWXTTJWKKN-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000112360925 565063074 /nfs/dbraw/zinc/06/30/74/565063074.db2.gz MDLHKMPAVSIFQL-HNNXBMFYSA-N -1 3 384.885 3.057 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c1 ZINC000112361168 565063141 /nfs/dbraw/zinc/06/31/41/565063141.db2.gz SFRUVTWUOADFFT-UHFFFAOYSA-N -1 3 377.796 3.429 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000112361735 565063218 /nfs/dbraw/zinc/06/32/18/565063218.db2.gz PAWFYFVADMWBLN-CQSZACIVSA-N -1 3 380.897 3.153 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000155176712 565063776 /nfs/dbraw/zinc/06/37/76/565063776.db2.gz VQQIYZYFWNJZPR-SNVBAGLBSA-N -1 3 388.898 3.106 20 0 GGADHM CC(C)COCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112627346 565065095 /nfs/dbraw/zinc/06/50/95/565065095.db2.gz FTPOLRMLIQJCAI-UHFFFAOYSA-N -1 3 381.270 3.083 20 0 GGADHM O=C(NCCCOC1CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112632448 565065269 /nfs/dbraw/zinc/06/52/69/565065269.db2.gz VSMQALKWAHNJJQ-UHFFFAOYSA-N -1 3 393.281 3.370 20 0 GGADHM CCN(CC(F)(F)F)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112632836 565065303 /nfs/dbraw/zinc/06/53/03/565065303.db2.gz YMZGJVPOLIOOFT-UHFFFAOYSA-N -1 3 377.160 3.315 20 0 GGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000112672505 565065337 /nfs/dbraw/zinc/06/53/37/565065337.db2.gz XYHCIKWNEWBZGQ-PBHICJAKSA-N -1 3 380.535 3.271 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(Cc1ccncc1)C1CC1 ZINC000112631032 565065381 /nfs/dbraw/zinc/06/53/81/565065381.db2.gz GJQSCOSAKGSEFQ-UHFFFAOYSA-N -1 3 398.260 3.490 20 0 GGADHM C[C@@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155269379 565065439 /nfs/dbraw/zinc/06/54/39/565065439.db2.gz COJBQCGIMWLUSD-HUVZLPTESA-N -1 3 377.388 3.496 20 0 GGADHM Cc1cccc(NCC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000155260814 565065503 /nfs/dbraw/zinc/06/55/03/565065503.db2.gz TZVUIHRWXCAIBJ-UHFFFAOYSA-N -1 3 393.818 3.453 20 0 GGADHM COc1ccc(Cl)cc1C[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155286312 565065688 /nfs/dbraw/zinc/06/56/88/565065688.db2.gz VNWAATFNQLTQQW-DEOSSOPVSA-N -1 3 380.775 3.312 20 0 GGADHM Cc1sc(C(=O)Nc2nnc(SCCO)[n-]2)cc1-c1ccc(F)cc1 ZINC000155287125 565065696 /nfs/dbraw/zinc/06/56/96/565065696.db2.gz SYDHZCLGONJTOF-UHFFFAOYSA-N -1 3 378.454 3.317 20 0 GGADHM Cc1sc(C(=O)Nc2nc(SCCO)n[n-]2)cc1-c1ccc(F)cc1 ZINC000155287125 565065697 /nfs/dbraw/zinc/06/56/97/565065697.db2.gz SYDHZCLGONJTOF-UHFFFAOYSA-N -1 3 378.454 3.317 20 0 GGADHM Cc1sc(C(=O)Nc2n[n-]c(SCCO)n2)cc1-c1ccc(F)cc1 ZINC000155287125 565065698 /nfs/dbraw/zinc/06/56/98/565065698.db2.gz SYDHZCLGONJTOF-UHFFFAOYSA-N -1 3 378.454 3.317 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000155295715 565065757 /nfs/dbraw/zinc/06/57/57/565065757.db2.gz CEYJIAKYXUWPST-QMMMGPOBSA-N -1 3 375.281 3.013 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000155295715 565065758 /nfs/dbraw/zinc/06/57/58/565065758.db2.gz CEYJIAKYXUWPST-QMMMGPOBSA-N -1 3 375.281 3.013 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000155295715 565065759 /nfs/dbraw/zinc/06/57/59/565065759.db2.gz CEYJIAKYXUWPST-QMMMGPOBSA-N -1 3 375.281 3.013 20 0 GGADHM CCCCc1nc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155309236 565066006 /nfs/dbraw/zinc/06/60/06/565066006.db2.gz BSLVNABWBMVBOY-XMMPIXPASA-N -1 3 379.429 3.449 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)c1ccc2cc(Br)ccc2c1 ZINC000155337663 565066288 /nfs/dbraw/zinc/06/62/88/565066288.db2.gz MZEUXBCUUDCOOJ-UHFFFAOYSA-N -1 3 393.266 3.057 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)c1ccc2cc(Br)ccc2c1 ZINC000155337663 565066289 /nfs/dbraw/zinc/06/62/89/565066289.db2.gz MZEUXBCUUDCOOJ-UHFFFAOYSA-N -1 3 393.266 3.057 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc2cc(Br)ccc2c1 ZINC000155337663 565066291 /nfs/dbraw/zinc/06/62/91/565066291.db2.gz MZEUXBCUUDCOOJ-UHFFFAOYSA-N -1 3 393.266 3.057 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Br)sc2C)s1 ZINC000155339594 565066491 /nfs/dbraw/zinc/06/64/91/565066491.db2.gz WQXJLFCGQBKWMF-UHFFFAOYSA-N -1 3 381.342 3.316 20 0 GGADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000112919725 565067021 /nfs/dbraw/zinc/06/70/21/565067021.db2.gz DAVNJFPKWZWVTE-UHFFFAOYSA-N -1 3 386.926 3.117 20 0 GGADHM CC[C@H](CC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccc(C)cc1 ZINC000155510326 565068544 /nfs/dbraw/zinc/06/85/44/565068544.db2.gz GDSMHPFTQGUVLX-CQSZACIVSA-N -1 3 380.535 3.165 20 0 GGADHM CS[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000155535521 565068822 /nfs/dbraw/zinc/06/88/22/565068822.db2.gz WNTIUYKGJDIZBW-JTQLQIEISA-N -1 3 386.445 3.456 20 0 GGADHM O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCCc2cccc([O-])c21 ZINC000155550605 565068936 /nfs/dbraw/zinc/06/89/36/565068936.db2.gz PJYHIXQGXBLRRC-UHFFFAOYSA-N -1 3 379.243 3.408 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@H]1C ZINC000113286851 565068969 /nfs/dbraw/zinc/06/89/69/565068969.db2.gz ZOURVDWERADYDO-NEPJUHHUSA-N -1 3 393.336 3.202 20 0 GGADHM CCC[C@@H](CC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000113420759 565069725 /nfs/dbraw/zinc/06/97/25/565069725.db2.gz MFELLKQEWVAHHW-NWDGAFQWSA-N -1 3 380.432 3.067 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1OCC(F)(F)F ZINC000155634301 565069970 /nfs/dbraw/zinc/06/99/70/565069970.db2.gz WUCMFGSWMLMRLZ-UHFFFAOYSA-N -1 3 381.397 3.176 20 0 GGADHM COCc1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1 ZINC000113725979 565070751 /nfs/dbraw/zinc/07/07/51/565070751.db2.gz HPENLRBXVZYALK-UHFFFAOYSA-N -1 3 379.825 3.337 20 0 GGADHM CC(C)Cc1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000113717210 565070769 /nfs/dbraw/zinc/07/07/69/565070769.db2.gz PETWOFZCIRYBSN-UHFFFAOYSA-N -1 3 378.281 3.096 20 0 GGADHM O=S(=O)([N-]Cc1nc(CCc2ccccc2)no1)c1ccc(Cl)s1 ZINC000113747413 565071017 /nfs/dbraw/zinc/07/10/17/565071017.db2.gz OZTSTJOSXZVXRA-UHFFFAOYSA-N -1 3 383.882 3.048 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000113947460 565071780 /nfs/dbraw/zinc/07/17/80/565071780.db2.gz QSYAHOAEWBQPFU-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)cc1Cl ZINC000113947089 565071797 /nfs/dbraw/zinc/07/17/97/565071797.db2.gz VEAUEKUHHNLRCD-MRVPVSSYSA-N -1 3 389.836 3.082 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000114182392 565072591 /nfs/dbraw/zinc/07/25/91/565072591.db2.gz SDOCTONWWPTTBB-IAQYHMDHSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000114182612 565072661 /nfs/dbraw/zinc/07/26/61/565072661.db2.gz VLFGOJVDRHOQCJ-IAQYHMDHSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000114225747 565072870 /nfs/dbraw/zinc/07/28/70/565072870.db2.gz SUGPNIDANSCPMK-RNCFNFMXSA-N -1 3 387.552 3.082 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000114225284 565072954 /nfs/dbraw/zinc/07/29/54/565072954.db2.gz WHMZPPJNHGUAQD-BDJLRTHQSA-N -1 3 381.523 3.021 20 0 GGADHM CCCOc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@H](C)CC)cc1Cl ZINC000114243477 565073211 /nfs/dbraw/zinc/07/32/11/565073211.db2.gz VQPOCMNQAXPPHC-IAQYHMDHSA-N -1 3 376.906 3.031 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1ccccc1 ZINC000155968451 565073523 /nfs/dbraw/zinc/07/35/23/565073523.db2.gz MUTIGCNCYFRPAD-UHFFFAOYSA-N -1 3 375.471 3.209 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)o1 ZINC000156012098 565073792 /nfs/dbraw/zinc/07/37/92/565073792.db2.gz LXVVMBXTFZFAKI-LBPRGKRZSA-N -1 3 383.857 3.038 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C2CC2)n1 ZINC000156013224 565074053 /nfs/dbraw/zinc/07/40/53/565074053.db2.gz AZWNHOSASLVXJD-ZDUSSCGKSA-N -1 3 382.898 3.411 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1Cl ZINC000156022920 565074101 /nfs/dbraw/zinc/07/41/01/565074101.db2.gz QMLDFOHLBZFGMV-UHFFFAOYSA-N -1 3 394.305 3.155 20 0 GGADHM COc1ccc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000156046113 565074308 /nfs/dbraw/zinc/07/43/08/565074308.db2.gz WNUWGCMILTUOAG-UHFFFAOYSA-N -1 3 379.254 3.205 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000156047637 565074339 /nfs/dbraw/zinc/07/43/39/565074339.db2.gz KJVDGXMLASEXNU-UHFFFAOYSA-N -1 3 387.299 3.349 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000156047687 565074342 /nfs/dbraw/zinc/07/43/42/565074342.db2.gz VUNZZOGYGRFCEZ-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(Cl)c1F ZINC000156158495 565075408 /nfs/dbraw/zinc/07/54/08/565075408.db2.gz RSJUNBUWZQHNFC-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM COc1ccccc1CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000156144872 565075457 /nfs/dbraw/zinc/07/54/57/565075457.db2.gz KEDNIVCDOKXIDB-UHFFFAOYSA-N -1 3 379.254 3.205 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000156191581 565075648 /nfs/dbraw/zinc/07/56/48/565075648.db2.gz DAQRDPQVLKZYEA-LLVKDONJSA-N -1 3 376.459 3.122 20 0 GGADHM CCSc1cccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)c1 ZINC000266408939 565079336 /nfs/dbraw/zinc/07/93/36/565079336.db2.gz IMLNEJOTOYBPJF-UHFFFAOYSA-N -1 3 385.536 3.090 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000156336708 565080785 /nfs/dbraw/zinc/08/07/85/565080785.db2.gz UBMZMLIVIOQEPS-UHFFFAOYSA-N -1 3 383.363 3.012 20 0 GGADHM COc1cc(C(=O)[N-]c2cc(Br)ccc2Br)on1 ZINC000183605658 565082367 /nfs/dbraw/zinc/08/23/67/565082367.db2.gz QJAZSKABFCGLLY-UHFFFAOYSA-N -1 3 376.004 3.461 20 0 GGADHM CCN(C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1)CC(F)(F)F ZINC000156365910 565083147 /nfs/dbraw/zinc/08/31/47/565083147.db2.gz ZHUAHVHRMYOLEQ-GFCCVEGCSA-N -1 3 378.822 3.321 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)o1 ZINC000291896921 565085178 /nfs/dbraw/zinc/08/51/78/565085178.db2.gz IPGYIKUNIHYQKD-UHFFFAOYSA-N -1 3 379.265 3.339 20 0 GGADHM COc1cc(/C=C/C(=O)NC2(C3CC3)CCOCC2)cc(Br)c1[O-] ZINC000369283649 565085489 /nfs/dbraw/zinc/08/54/89/565085489.db2.gz OETINZXJRZEUMU-GORDUTHDSA-N -1 3 396.281 3.252 20 0 GGADHM COCCOCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000291914695 565086552 /nfs/dbraw/zinc/08/65/52/565086552.db2.gz MSMQJCNPOHFWFC-UHFFFAOYSA-N -1 3 394.265 3.248 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)[C@H]1OCCc2sccc21 ZINC000291952379 565088655 /nfs/dbraw/zinc/08/86/55/565088655.db2.gz OJTTVUPCNZIVJR-PIGZYNQJSA-N -1 3 378.475 3.011 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)C ZINC000156484228 565089198 /nfs/dbraw/zinc/08/91/98/565089198.db2.gz ZSRNQLYLYOXTKG-CYBMUJFWSA-N -1 3 382.295 3.318 20 0 GGADHM C[C@H](CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(F)c(Br)c1 ZINC000291975287 565090211 /nfs/dbraw/zinc/09/02/11/565090211.db2.gz TZHDJYVSUGMEKO-SNVBAGLBSA-N -1 3 394.244 3.162 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2c[nH]nc2-c2ccccc2Cl)s1 ZINC000156498268 565090616 /nfs/dbraw/zinc/09/06/16/565090616.db2.gz HPAGUOCMWAWGSO-UHFFFAOYSA-N -1 3 377.813 3.011 20 0 GGADHM C[C@@H](Sc1nnc(C2CC2)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000266801489 565091600 /nfs/dbraw/zinc/09/16/00/565091600.db2.gz CASPDRIZIUAZNK-SECBINFHSA-N -1 3 383.520 3.151 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000156531148 565091876 /nfs/dbraw/zinc/09/18/76/565091876.db2.gz DCQNMCPYQQXQFM-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000156558799 565093427 /nfs/dbraw/zinc/09/34/27/565093427.db2.gz DWNZFUQUHRAKTR-UHFFFAOYSA-N -1 3 390.278 3.247 20 0 GGADHM CCC(=O)N[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000156554822 565093535 /nfs/dbraw/zinc/09/35/35/565093535.db2.gz XSCWLEFDSDCIGM-KRWDZBQOSA-N -1 3 391.265 3.038 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000156570839 565094721 /nfs/dbraw/zinc/09/47/21/565094721.db2.gz AHUORPZAXCMFQX-PRHODGIISA-N -1 3 397.722 3.005 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccnc1N1CCCCC1 ZINC000156560727 565095202 /nfs/dbraw/zinc/09/52/02/565095202.db2.gz JKPKDULPNMXMRC-UHFFFAOYSA-N -1 3 390.281 3.470 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)NCCC1CCN(CC(F)(F)F)CC1 ZINC000156559003 565095347 /nfs/dbraw/zinc/09/53/47/565095347.db2.gz HPCBLMNEIAQMOO-UHFFFAOYSA-N -1 3 378.822 3.369 20 0 GGADHM O=S(=O)([N-]Cc1ncccc1F)c1ccc(Br)c(Cl)c1 ZINC000156710434 565102154 /nfs/dbraw/zinc/10/21/54/565102154.db2.gz ZBBSUJHHMQLFKY-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000267064040 565103894 /nfs/dbraw/zinc/10/38/94/565103894.db2.gz HEUSATNQMCFZOZ-UHFFFAOYSA-N -1 3 376.507 3.018 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000156796334 565106019 /nfs/dbraw/zinc/10/60/19/565106019.db2.gz NGNJHTNQMFJCDA-UHFFFAOYSA-N -1 3 382.309 3.487 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)n2)CC1 ZINC000369679619 565106031 /nfs/dbraw/zinc/10/60/31/565106031.db2.gz DQORAGSZLVTRGG-UHFFFAOYSA-N -1 3 389.308 3.257 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)CC1 ZINC000369683275 565106190 /nfs/dbraw/zinc/10/61/90/565106190.db2.gz KWDKSUVRKFMREE-UHFFFAOYSA-N -1 3 389.308 3.257 20 0 GGADHM COc1cc(Br)c(NC([O-])=NOCCC(F)(F)F)cc1OC ZINC000156846148 565107680 /nfs/dbraw/zinc/10/76/80/565107680.db2.gz ASIZUVRMORBLCE-UHFFFAOYSA-N -1 3 387.152 3.472 20 0 GGADHM COc1cc(Br)c(NC(=O)[N-]OCCC(F)(F)F)cc1OC ZINC000156846148 565107683 /nfs/dbraw/zinc/10/76/83/565107683.db2.gz ASIZUVRMORBLCE-UHFFFAOYSA-N -1 3 387.152 3.472 20 0 GGADHM O=S(=O)(Cc1nc(-c2cccc(Br)c2)no1)c1cccc([O-])c1 ZINC000183989692 565108191 /nfs/dbraw/zinc/10/81/91/565108191.db2.gz MOEYNRAXYPACQB-UHFFFAOYSA-N -1 3 395.234 3.179 20 0 GGADHM C[C@@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(Cl)cc1Cl ZINC000183986046 565108426 /nfs/dbraw/zinc/10/84/26/565108426.db2.gz XIHDVBLVIFCNEK-SNVBAGLBSA-N -1 3 388.272 3.350 20 0 GGADHM O=S(=O)(Cc1cc2c(cc1Br)OCCCO2)c1cccc([O-])c1 ZINC000183978649 565108545 /nfs/dbraw/zinc/10/85/45/565108545.db2.gz VDKSQCMOQFJJNL-UHFFFAOYSA-N -1 3 399.262 3.290 20 0 GGADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(=O)(=O)c1cccc([O-])c1 ZINC000183977903 565108738 /nfs/dbraw/zinc/10/87/38/565108738.db2.gz DEBKDHNVDNMEFD-UHFFFAOYSA-N -1 3 388.272 3.131 20 0 GGADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000636355427 565109723 /nfs/dbraw/zinc/10/97/23/565109723.db2.gz OWTILKJKWBCAMF-CYBMUJFWSA-N -1 3 375.841 3.481 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(C[S@@](=O)c3cccc([O-])c3)cs2)cc1 ZINC000184033196 565111199 /nfs/dbraw/zinc/11/11/99/565111199.db2.gz XJROWMNXNYMKFR-XMMPIXPASA-N -1 3 393.511 3.227 20 0 GGADHM CC(C)c1cnc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000184041372 565111311 /nfs/dbraw/zinc/11/13/11/565111311.db2.gz DMTLILXEXNQAQV-UHFFFAOYSA-N -1 3 379.960 3.050 20 0 GGADHM COc1cc(C(=O)[N-]c2cc(I)ccc2Cl)on1 ZINC000184047793 565112054 /nfs/dbraw/zinc/11/20/54/565112054.db2.gz AXYLYUWJIMOCKQ-UHFFFAOYSA-N -1 3 378.553 3.194 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3Br)c(F)cc2N1 ZINC000156931120 565112046 /nfs/dbraw/zinc/11/20/46/565112046.db2.gz DAFOUQHNYMBFCF-UHFFFAOYSA-N -1 3 399.241 3.274 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)c1nc(C)cs1 ZINC000267265917 565112579 /nfs/dbraw/zinc/11/25/79/565112579.db2.gz XOEGXAQWUQKSQW-ZDUSSCGKSA-N -1 3 387.914 3.493 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c(Cl)c1 ZINC000184127500 565115228 /nfs/dbraw/zinc/11/52/28/565115228.db2.gz FXXUWIYWIWUQBM-UHFFFAOYSA-N -1 3 384.860 3.154 20 0 GGADHM CCN(C(=O)CSc1n[n-]c(=S)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184186347 565118731 /nfs/dbraw/zinc/11/87/31/565118731.db2.gz IIUVJMXBJLYWEU-CQSZACIVSA-N -1 3 394.591 3.042 20 0 GGADHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCCC[C@@H]1C ZINC000184209024 565120261 /nfs/dbraw/zinc/12/02/61/565120261.db2.gz VAHBFMAGRJGQTN-KBPBESRZSA-N -1 3 378.460 3.431 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000267531985 565120434 /nfs/dbraw/zinc/12/04/34/565120434.db2.gz KZGONTRREURICE-UHFFFAOYSA-N -1 3 386.926 3.280 20 0 GGADHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCC[C@H](C)C1 ZINC000184208931 565120460 /nfs/dbraw/zinc/12/04/60/565120460.db2.gz AEYKGUWPYDBMHV-KBPBESRZSA-N -1 3 378.460 3.289 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000157153912 565121509 /nfs/dbraw/zinc/12/15/09/565121509.db2.gz IJRFAQHZBLNMPP-INIZCTEOSA-N -1 3 380.535 3.181 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000157193569 565122742 /nfs/dbraw/zinc/12/27/42/565122742.db2.gz DJBFMQIXVBDOKW-CYBMUJFWSA-N -1 3 386.564 3.009 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000267596317 565123201 /nfs/dbraw/zinc/12/32/01/565123201.db2.gz CKUXKZVNQGPXFJ-ZETCQYMHSA-N -1 3 382.294 3.031 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@@H]1OCCc2sccc21 ZINC000292575732 565123036 /nfs/dbraw/zinc/12/30/36/565123036.db2.gz ZLGUJQDZDASFAS-ZBEGNZNMSA-N -1 3 380.491 3.008 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cs1 ZINC000267590482 565123574 /nfs/dbraw/zinc/12/35/74/565123574.db2.gz AJUBJNARGXLOKI-SECBINFHSA-N -1 3 380.413 3.348 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cs1 ZINC000267602876 565124426 /nfs/dbraw/zinc/12/44/26/565124426.db2.gz FJZNDGOCGCTPGC-QMMMGPOBSA-N -1 3 398.403 3.487 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cs1 ZINC000267612785 565124616 /nfs/dbraw/zinc/12/46/16/565124616.db2.gz IAZXMLLQBQDJEH-QMMMGPOBSA-N -1 3 398.403 3.487 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CCO)c3ccco3)s2)cs1 ZINC000184285979 565125129 /nfs/dbraw/zinc/12/51/29/565125129.db2.gz FZOPGASRBYUPJM-LLVKDONJSA-N -1 3 384.504 3.175 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(Br)cc1Cl ZINC000184279513 565125377 /nfs/dbraw/zinc/12/53/77/565125377.db2.gz ZYHFBOJYWNBARY-LLVKDONJSA-N -1 3 394.674 3.098 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2Br)cs1 ZINC000267636232 565125962 /nfs/dbraw/zinc/12/59/62/565125962.db2.gz PLYVIHAIENHRKT-SECBINFHSA-N -1 3 391.312 3.092 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCC(=O)Nc1cccc(Cl)c1C ZINC000184291085 565126367 /nfs/dbraw/zinc/12/63/67/565126367.db2.gz XWNXWSYMDBUUPU-UHFFFAOYSA-N -1 3 384.860 3.403 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)cs1 ZINC000267670014 565127395 /nfs/dbraw/zinc/12/73/95/565127395.db2.gz ZCCYGOOOBYYJIS-ZETCQYMHSA-N -1 3 397.341 3.153 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000157326754 565127834 /nfs/dbraw/zinc/12/78/34/565127834.db2.gz QJCVIQFFYKBSND-VIFPVBQESA-N -1 3 388.536 3.328 20 0 GGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292672986 565128008 /nfs/dbraw/zinc/12/80/08/565128008.db2.gz BEAAOAPXAORWQA-LBPRGKRZSA-N -1 3 380.413 3.350 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)CC2)s1 ZINC000184326359 565129786 /nfs/dbraw/zinc/12/97/86/565129786.db2.gz ZDLCROWGSWGWCE-CVEARBPZSA-N -1 3 386.583 3.310 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N(CC2CCC2)CC(F)(F)F)ccc1F ZINC000267769456 565129697 /nfs/dbraw/zinc/12/96/97/565129697.db2.gz VASNKKFPMSYFGE-UHFFFAOYSA-N -1 3 382.379 3.002 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)CC2)s1 ZINC000184326416 565129859 /nfs/dbraw/zinc/12/98/59/565129859.db2.gz ZDLCROWGSWGWCE-JKSUJKDBSA-N -1 3 386.583 3.310 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1cc(Cl)cc(Cl)c1 ZINC000157397684 565130713 /nfs/dbraw/zinc/13/07/13/565130713.db2.gz AHYXRBYUHKBILT-GFCCVEGCSA-N -1 3 390.267 3.085 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1c(Cl)cccc1Cl ZINC000157399433 565130969 /nfs/dbraw/zinc/13/09/69/565130969.db2.gz CDOXVKINOSNAKW-SNVBAGLBSA-N -1 3 390.267 3.085 20 0 GGADHM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000267808685 565131271 /nfs/dbraw/zinc/13/12/71/565131271.db2.gz MLTHHEYNQASRNG-XMMPIXPASA-N -1 3 379.503 3.079 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)c(Cl)c1 ZINC000157421659 565131678 /nfs/dbraw/zinc/13/16/78/565131678.db2.gz UMKYZIJAKIJMQP-JTQLQIEISA-N -1 3 390.267 3.085 20 0 GGADHM COC(=O)c1ncsc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1Cl ZINC000157499164 565134160 /nfs/dbraw/zinc/13/41/60/565134160.db2.gz CRGWEVQHQUSKGW-UHFFFAOYSA-N -1 3 385.225 3.176 20 0 GGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCCCCC1 ZINC000184478061 565137521 /nfs/dbraw/zinc/13/75/21/565137521.db2.gz LVQBXOSMFIVWGI-CQSZACIVSA-N -1 3 378.460 3.433 20 0 GGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157620396 565138856 /nfs/dbraw/zinc/13/88/56/565138856.db2.gz GVMKVQXEAIATFA-UHFFFAOYSA-N -1 3 392.786 3.260 20 0 GGADHM Cc1nsc(C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000292887403 565138940 /nfs/dbraw/zinc/13/89/40/565138940.db2.gz TXUJUVFDWIIZOD-UHFFFAOYSA-N -1 3 385.486 3.228 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)c1nc(C(C)(C)C)cs1 ZINC000184502310 565140368 /nfs/dbraw/zinc/14/03/68/565140368.db2.gz ANOCHJDOLLOLMC-SECBINFHSA-N -1 3 396.460 3.239 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(CO)CCCCC2)sc1Br ZINC000157666595 565141323 /nfs/dbraw/zinc/14/13/23/565141323.db2.gz CBOISCKLFHUGTA-UHFFFAOYSA-N -1 3 382.345 3.040 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000292951890 565142899 /nfs/dbraw/zinc/14/28/99/565142899.db2.gz CAAQKXKGJWKJJU-LURJTMIESA-N -1 3 383.779 3.398 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)c3oc(Br)cc3C)[n-]c21 ZINC000157781041 565143419 /nfs/dbraw/zinc/14/34/19/565143419.db2.gz HUIFBQOBIBGBLX-UHFFFAOYSA-N -1 3 378.182 3.266 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3oc(Br)cc3C)nc21 ZINC000157781041 565143422 /nfs/dbraw/zinc/14/34/22/565143422.db2.gz HUIFBQOBIBGBLX-UHFFFAOYSA-N -1 3 378.182 3.266 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccnc1 ZINC000292988255 565144226 /nfs/dbraw/zinc/14/42/26/565144226.db2.gz FTZSWMGTXDINKA-OAHLLOKOSA-N -1 3 389.304 3.427 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2cccc3cccnc32)s1 ZINC000268212042 565144171 /nfs/dbraw/zinc/14/41/71/565144171.db2.gz QQIJROKKFXCJBN-UHFFFAOYSA-N -1 3 376.507 3.003 20 0 GGADHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184688042 565152677 /nfs/dbraw/zinc/15/26/77/565152677.db2.gz HQHJLJNPUXTASD-MCIONIFRSA-N -1 3 378.460 3.013 20 0 GGADHM COCc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n[n-]1 ZINC000268467957 565153038 /nfs/dbraw/zinc/15/30/38/565153038.db2.gz HAFMOCJYVJGYIY-UHFFFAOYSA-N -1 3 380.779 3.354 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)C[C@@H]2CCCCO2)oc1-c1ccc(Cl)cc1 ZINC000268477980 565153823 /nfs/dbraw/zinc/15/38/23/565153823.db2.gz IOPDUBXOSMWWLT-HNNXBMFYSA-N -1 3 384.885 3.292 20 0 GGADHM C[C@H]([N-]S(C)(=O)=O)c1nc(C(C)(C)c2cccc(C(F)(F)F)c2)no1 ZINC000293175040 565154453 /nfs/dbraw/zinc/15/44/53/565154453.db2.gz NCWKLIJVZVCAQB-VIFPVBQESA-N -1 3 377.388 3.025 20 0 GGADHM COCc1nc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)n[n-]1 ZINC000268490532 565154696 /nfs/dbraw/zinc/15/46/96/565154696.db2.gz OFHSONQGPSTHNJ-SECBINFHSA-N -1 3 385.287 3.141 20 0 GGADHM COCc1nc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n[n-]1 ZINC000268513315 565156492 /nfs/dbraw/zinc/15/64/92/565156492.db2.gz XHZHCPGINRPAQA-JTQLQIEISA-N -1 3 375.479 3.194 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000184818621 565157938 /nfs/dbraw/zinc/15/79/38/565157938.db2.gz YKFOSHDEYPOJRX-MRVPVSSYSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2Br)c(=O)[n-]1 ZINC000158201908 565159871 /nfs/dbraw/zinc/15/98/71/565159871.db2.gz GLPASKCOEDZVOA-UHFFFAOYSA-N -1 3 384.661 3.374 20 0 GGADHM CC(C)N(CCNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC000184865286 565161160 /nfs/dbraw/zinc/16/11/60/565161160.db2.gz NZDOYHUYROUPSP-UHFFFAOYSA-N -1 3 397.324 3.089 20 0 GGADHM O=S1(=O)CCCN1c1ccc(CNCc2cccc([O-])c2Cl)cc1F ZINC000293349202 565163257 /nfs/dbraw/zinc/16/32/57/565163257.db2.gz SZCVWAUNIPQMED-UHFFFAOYSA-N -1 3 384.860 3.014 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000184962215 565167810 /nfs/dbraw/zinc/16/78/10/565167810.db2.gz UBLOTXKLTTZDEU-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)Cc3ccccc3Br)[n-]c21 ZINC000158421989 565168823 /nfs/dbraw/zinc/16/88/23/565168823.db2.gz QNHUCLQZMLZYFB-UHFFFAOYSA-N -1 3 388.221 3.293 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3Br)nc21 ZINC000158421989 565168830 /nfs/dbraw/zinc/16/88/30/565168830.db2.gz QNHUCLQZMLZYFB-UHFFFAOYSA-N -1 3 388.221 3.293 20 0 GGADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1c[n-]nn1 ZINC000158404084 565169313 /nfs/dbraw/zinc/16/93/13/565169313.db2.gz GVRSZWDHTFFLIQ-OAHLLOKOSA-N -1 3 375.201 3.226 20 0 GGADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1cnn[n-]1 ZINC000158404084 565169318 /nfs/dbraw/zinc/16/93/18/565169318.db2.gz GVRSZWDHTFFLIQ-OAHLLOKOSA-N -1 3 375.201 3.226 20 0 GGADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1cn[n-]n1 ZINC000158404084 565169323 /nfs/dbraw/zinc/16/93/23/565169323.db2.gz GVRSZWDHTFFLIQ-OAHLLOKOSA-N -1 3 375.201 3.226 20 0 GGADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000185000167 565170458 /nfs/dbraw/zinc/17/04/58/565170458.db2.gz ZHKOPPWJEBFPLC-UHFFFAOYSA-N -1 3 375.282 3.273 20 0 GGADHM CCCS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000269016208 565175272 /nfs/dbraw/zinc/17/52/72/565175272.db2.gz UEAQRLCNJDAUEJ-UHFFFAOYSA-N -1 3 393.412 3.079 20 0 GGADHM COC(=O)C12CCC(C(=O)NCc3ccc([O-])c(Br)c3)(CC1)CC2 ZINC000293569056 565175370 /nfs/dbraw/zinc/17/53/70/565175370.db2.gz BLKVOZVWRBPOLA-UHFFFAOYSA-N -1 3 396.281 3.285 20 0 GGADHM Cc1nn(CC(F)(F)F)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000269092767 565177954 /nfs/dbraw/zinc/17/79/54/565177954.db2.gz ZRUVQYMRLVGYJW-UHFFFAOYSA-N -1 3 392.175 3.152 20 0 GGADHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)[N-]c1nc(C)n(C)n1 ZINC000293637795 565178187 /nfs/dbraw/zinc/17/81/87/565178187.db2.gz HDZLRYHATMTNJQ-UHFFFAOYSA-N -1 3 390.241 3.356 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000185121516 565180098 /nfs/dbraw/zinc/18/00/98/565180098.db2.gz MBUDYSMKIHULAI-UHFFFAOYSA-N -1 3 391.262 3.180 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)cs1 ZINC000158823096 565183389 /nfs/dbraw/zinc/18/33/89/565183389.db2.gz KKVDONQAXPLKFN-SECBINFHSA-N -1 3 388.898 3.185 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1cc(F)ccc1Cl ZINC000269300328 565184997 /nfs/dbraw/zinc/18/49/97/565184997.db2.gz BRWJMVUUARIISA-GFCCVEGCSA-N -1 3 379.906 3.202 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C(F)(F)F ZINC000293789932 565185186 /nfs/dbraw/zinc/18/51/86/565185186.db2.gz UFSDZZSEHOKZKC-RXMQYKEDSA-N -1 3 378.656 3.244 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1ccc(F)cc1Cl ZINC000269359470 565187412 /nfs/dbraw/zinc/18/74/12/565187412.db2.gz VGRFEYGGHFCAPI-LBPRGKRZSA-N -1 3 379.906 3.202 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1ccccc1C(F)(F)F ZINC000269343535 565187601 /nfs/dbraw/zinc/18/76/01/565187601.db2.gz PQAJPRNVQBJWHZ-GFCCVEGCSA-N -1 3 395.468 3.429 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000158946674 565188763 /nfs/dbraw/zinc/18/87/63/565188763.db2.gz JRVLOUGXTNKNLT-UHFFFAOYSA-N -1 3 388.898 3.105 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000158974859 565189409 /nfs/dbraw/zinc/18/94/09/565189409.db2.gz JKMRCCSQAQENGW-UHFFFAOYSA-N -1 3 388.898 3.185 20 0 GGADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000294094338 565197720 /nfs/dbraw/zinc/19/77/20/565197720.db2.gz QTBOTHCFQKCKCH-UHFFFAOYSA-N -1 3 376.331 3.402 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000185390469 565199439 /nfs/dbraw/zinc/19/94/39/565199439.db2.gz WHLNLADXQYLFIR-MRVPVSSYSA-N -1 3 391.262 3.275 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@](C)(O)c2ccsc2)s1 ZINC000269769315 565199771 /nfs/dbraw/zinc/19/97/71/565199771.db2.gz LZORTVDWRFHAII-LBPRGKRZSA-N -1 3 396.353 3.067 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc([C@H](C)O)cc2)s1 ZINC000269815936 565199844 /nfs/dbraw/zinc/19/98/44/565199844.db2.gz RNIFQCULEFFQNR-JTQLQIEISA-N -1 3 390.324 3.351 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc([C@@H](C)O)cc2)s1 ZINC000269815938 565200388 /nfs/dbraw/zinc/20/03/88/565200388.db2.gz RNIFQCULEFFQNR-SNVBAGLBSA-N -1 3 390.324 3.351 20 0 GGADHM CC(=O)Nc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000159280957 565200576 /nfs/dbraw/zinc/20/05/76/565200576.db2.gz ZREHSCSOKCGXRU-UHFFFAOYSA-N -1 3 392.253 3.113 20 0 GGADHM CCc1nc(C)c(CNC(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)o1 ZINC000294168783 565201005 /nfs/dbraw/zinc/20/10/05/565201005.db2.gz WAOIKVCCIXUTAC-AATRIKPKSA-N -1 3 395.253 3.352 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCC[C@@H]1CF ZINC000294194899 565202009 /nfs/dbraw/zinc/20/20/09/565202009.db2.gz UPTURTSEXFPCFV-SNVBAGLBSA-N -1 3 395.283 3.008 20 0 GGADHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCC[C@H]1CF ZINC000294194896 565202306 /nfs/dbraw/zinc/20/23/06/565202306.db2.gz UPTURTSEXFPCFV-JTQLQIEISA-N -1 3 395.283 3.008 20 0 GGADHM CCc1nocc1CN(C)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000294313966 565207512 /nfs/dbraw/zinc/20/75/12/565207512.db2.gz ZWYODRMMPCPVIF-AATRIKPKSA-N -1 3 395.253 3.386 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1OC ZINC000294374422 565209879 /nfs/dbraw/zinc/20/98/79/565209879.db2.gz HRLVYAWQMZPJOY-UHFFFAOYSA-N -1 3 380.388 3.128 20 0 GGADHM C[C@H](c1nccs1)N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000185613098 565211030 /nfs/dbraw/zinc/21/10/30/565211030.db2.gz RBQPQTGJBUKNMN-GFCCVEGCSA-N -1 3 382.327 3.490 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270180194 565211243 /nfs/dbraw/zinc/21/12/43/565211243.db2.gz MSNQTWWMSSOBKX-RULNZOCKSA-N -1 3 387.910 3.126 20 0 GGADHM Cn1nc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)cc1OC(F)F ZINC000185652258 565213477 /nfs/dbraw/zinc/21/34/77/565213477.db2.gz YGIQGRBHXXYHDS-UHFFFAOYSA-N -1 3 385.783 3.446 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCC2)cc1Br ZINC000159639272 565213750 /nfs/dbraw/zinc/21/37/50/565213750.db2.gz QFGIHAMDCDWLIA-UHFFFAOYSA-N -1 3 383.105 3.351 20 0 GGADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1n[nH]c(C2CC2)c1Br ZINC000294513410 565215704 /nfs/dbraw/zinc/21/57/04/565215704.db2.gz YMCMHKCYUVVDIF-UHFFFAOYSA-N -1 3 398.286 3.047 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCCC2(F)F)cc1OC ZINC000294543474 565217165 /nfs/dbraw/zinc/21/71/65/565217165.db2.gz RSRSPMSWGANNGS-GFCCVEGCSA-N -1 3 376.425 3.221 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1[O-] ZINC000270400742 565217356 /nfs/dbraw/zinc/21/73/56/565217356.db2.gz VVHNVXDLYXDPDK-YDHLFZDLSA-N -1 3 383.901 3.018 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)no1 ZINC000372021829 565219213 /nfs/dbraw/zinc/21/92/13/565219213.db2.gz MSRZIEJRLFTJHX-AWEZNQCLSA-N -1 3 380.242 3.498 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2nsc3ccc(C)cc32)s1 ZINC000294611071 565219955 /nfs/dbraw/zinc/21/99/55/565219955.db2.gz ODBIHFRBDYLITJ-UHFFFAOYSA-N -1 3 394.503 3.364 20 0 GGADHM Cn1nc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)cc1OC(F)F ZINC000185756095 565220566 /nfs/dbraw/zinc/22/05/66/565220566.db2.gz MWZRFBWZEPDUII-UHFFFAOYSA-N -1 3 385.783 3.446 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000185822085 565224148 /nfs/dbraw/zinc/22/41/48/565224148.db2.gz LFYLEDJTBMSCPS-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM COc1ccc2c(c1)nc(CNCc1cc([O-])ccc1Br)n2C ZINC000185832306 565224230 /nfs/dbraw/zinc/22/42/30/565224230.db2.gz CIJQIFPUDRPWJD-UHFFFAOYSA-N -1 3 376.254 3.340 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000372211442 565227205 /nfs/dbraw/zinc/22/72/05/565227205.db2.gz LQDAOPDUDATOQG-CQSZACIVSA-N -1 3 383.286 3.113 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCCCSC)c1 ZINC000185975773 565232449 /nfs/dbraw/zinc/23/24/49/565232449.db2.gz ZIJIJQCLOZPHFJ-UHFFFAOYSA-N -1 3 382.345 3.269 20 0 GGADHM COc1cc(Br)cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000270998255 565235340 /nfs/dbraw/zinc/23/53/40/565235340.db2.gz PMNCWQRQSIQUGC-UHFFFAOYSA-N -1 3 380.242 3.141 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-][C@@H]3CCC[C@H](C(F)(F)F)C3)cc12 ZINC000186041109 565237109 /nfs/dbraw/zinc/23/71/09/565237109.db2.gz RGCUKZULMJYWOU-VHSXEESVSA-N -1 3 377.388 3.185 20 0 GGADHM CC(C)(C)OCc1cc(C(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)no1 ZINC000186082930 565238445 /nfs/dbraw/zinc/23/84/45/565238445.db2.gz OUQIIZBZYGXMFK-UHFFFAOYSA-N -1 3 386.857 3.299 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000295058322 565242782 /nfs/dbraw/zinc/24/27/82/565242782.db2.gz BOZUYBOCCXZQKY-GLQYFDAESA-N -1 3 381.391 3.150 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cc(Br)ccc1F ZINC000186157582 565243738 /nfs/dbraw/zinc/24/37/38/565243738.db2.gz DKLJLUQKBBLCFV-GFCCVEGCSA-N -1 3 380.279 3.216 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186184278 565244707 /nfs/dbraw/zinc/24/47/07/565244707.db2.gz LJMDNMLBQBRLHG-UHFFFAOYSA-N -1 3 380.897 3.435 20 0 GGADHM O=C(CCc1cccc2c1OCO2)NCc1ccc([O-])c(Br)c1 ZINC000186179805 565245004 /nfs/dbraw/zinc/24/50/04/565245004.db2.gz COVVXUCHFXDZLG-UHFFFAOYSA-N -1 3 378.222 3.132 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)nc1C)c1ccccc1 ZINC000295156773 565247634 /nfs/dbraw/zinc/24/76/34/565247634.db2.gz GBLQOSFOIUWHOQ-CQSZACIVSA-N -1 3 385.283 3.282 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(I)c[nH]2)c2c([O-])cccc21 ZINC000186259874 565249837 /nfs/dbraw/zinc/24/98/37/565249837.db2.gz JSYPGZVJLIZRDD-SECBINFHSA-N -1 3 382.201 3.479 20 0 GGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000295183838 565250651 /nfs/dbraw/zinc/25/06/51/565250651.db2.gz CBSMCRMVHSLGFD-UHFFFAOYSA-N -1 3 382.795 3.079 20 0 GGADHM CC[C@H](CSC)N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000271374942 565251018 /nfs/dbraw/zinc/25/10/18/565251018.db2.gz OXPDWBLJBMPEHN-CYBMUJFWSA-N -1 3 389.543 3.062 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000186281138 565251233 /nfs/dbraw/zinc/25/12/33/565251233.db2.gz FKWMRAXCDTZBOH-MRVPVSSYSA-N -1 3 391.276 3.294 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cc1OC ZINC000295234803 565252949 /nfs/dbraw/zinc/25/29/49/565252949.db2.gz UCORHNTZBXFROB-GFCCVEGCSA-N -1 3 396.412 3.051 20 0 GGADHM CC(C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186317428 565254433 /nfs/dbraw/zinc/25/44/33/565254433.db2.gz TYNZCSNZNVVPNH-AWEZNQCLSA-N -1 3 375.918 3.470 20 0 GGADHM O=S(=O)([N-]C1(C2CC2)CCOCC1)c1cccc(Cl)c1Br ZINC000372810201 565255891 /nfs/dbraw/zinc/25/58/91/565255891.db2.gz OIFAAMJRHPACGK-UHFFFAOYSA-N -1 3 394.718 3.340 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000295270263 565256710 /nfs/dbraw/zinc/25/67/10/565256710.db2.gz RZMMALGFMJFREM-QMMMGPOBSA-N -1 3 378.388 3.407 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cc1F ZINC000295273500 565256941 /nfs/dbraw/zinc/25/69/41/565256941.db2.gz ZMMXHEBSFFDWKD-LLVKDONJSA-N -1 3 384.376 3.181 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cc1F ZINC000295273503 565257042 /nfs/dbraw/zinc/25/70/42/565257042.db2.gz ZMMXHEBSFFDWKD-NSHDSACASA-N -1 3 384.376 3.181 20 0 GGADHM O=C(c1ccc([N-]S(=O)(=O)C2=CCCCC2)cc1Cl)N1CCOCC1 ZINC000295343830 565261382 /nfs/dbraw/zinc/26/13/82/565261382.db2.gz QDRQUBDCVMAKCS-UHFFFAOYSA-N -1 3 384.885 3.012 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ncc(C)cc1Br)c1ccccc1 ZINC000295377857 565262661 /nfs/dbraw/zinc/26/26/61/565262661.db2.gz SZYSMEGMODKEBM-CQSZACIVSA-N -1 3 385.283 3.282 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(F)c(Br)cc1C ZINC000186506520 565264173 /nfs/dbraw/zinc/26/41/73/565264173.db2.gz SBOBOIGKZKNHHC-UHFFFAOYSA-N -1 3 386.246 3.263 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1noc(-c2cccs2)n1 ZINC000295441614 565265859 /nfs/dbraw/zinc/26/58/59/565265859.db2.gz OUKUESOODUSROA-SNVBAGLBSA-N -1 3 377.438 3.043 20 0 GGADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1noc(-c2cccs2)n1 ZINC000295441610 565266208 /nfs/dbraw/zinc/26/62/08/565266208.db2.gz OUKUESOODUSROA-JTQLQIEISA-N -1 3 377.438 3.043 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000295464649 565268014 /nfs/dbraw/zinc/26/80/14/565268014.db2.gz QIXNVTBNYKZQJQ-UHFFFAOYSA-N -1 3 387.939 3.377 20 0 GGADHM C[C@@H](CCO)C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000271811797 565268277 /nfs/dbraw/zinc/26/82/77/565268277.db2.gz BZFVKHNMKNWVLM-LBPRGKRZSA-N -1 3 385.302 3.143 20 0 GGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cccc(Br)c1 ZINC000373086390 565269144 /nfs/dbraw/zinc/26/91/44/565269144.db2.gz BTVAXDYMXPVSAH-UHFFFAOYSA-N -1 3 379.239 3.035 20 0 GGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000186649068 565274999 /nfs/dbraw/zinc/27/49/99/565274999.db2.gz SUPNYAXHVCBKTR-DLBZAZTESA-N -1 3 382.243 3.438 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1[C@@H](C)O ZINC000272055695 565275638 /nfs/dbraw/zinc/27/56/38/565275638.db2.gz BFBBWKITONWGAX-SNVBAGLBSA-N -1 3 375.277 3.229 20 0 GGADHM COc1cccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1[O-] ZINC000186663538 565275741 /nfs/dbraw/zinc/27/57/41/565275741.db2.gz XFGGYYXIPQWEJU-HOCLYGCPSA-N -1 3 382.243 3.438 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1nccs1 ZINC000186672386 565276981 /nfs/dbraw/zinc/27/69/81/565276981.db2.gz FHGPDCJRKWTUCJ-MRVPVSSYSA-N -1 3 379.276 3.127 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1[C@H](C)O ZINC000272083700 565277021 /nfs/dbraw/zinc/27/70/21/565277021.db2.gz HSNZDLLZOAOXNN-JTQLQIEISA-N -1 3 375.277 3.229 20 0 GGADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186695968 565278221 /nfs/dbraw/zinc/27/82/21/565278221.db2.gz YXXGLXLWQDNIGU-LSDHHAIUSA-N -1 3 385.913 3.390 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000186690223 565278313 /nfs/dbraw/zinc/27/83/13/565278313.db2.gz DESYMGONGXDUAN-JTQLQIEISA-N -1 3 396.515 3.226 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186696026 565278341 /nfs/dbraw/zinc/27/83/41/565278341.db2.gz YXXGLXLWQDNIGU-CABCVRRESA-N -1 3 385.913 3.390 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)sc1Br ZINC000186693489 565278568 /nfs/dbraw/zinc/27/85/68/565278568.db2.gz HIKRDBAFDCGDNY-MRVPVSSYSA-N -1 3 381.342 3.358 20 0 GGADHM Cc1ocnc1C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000272254448 565282953 /nfs/dbraw/zinc/28/29/53/565282953.db2.gz YYJREBKQTFTHPH-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM COCC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccco1 ZINC000272510812 565289400 /nfs/dbraw/zinc/28/94/00/565289400.db2.gz ITCZMPSMAPJLMP-CYBMUJFWSA-N -1 3 383.242 3.325 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2CC2)cc1Br ZINC000161685361 565290609 /nfs/dbraw/zinc/29/06/09/565290609.db2.gz CICRDESCVRUNGR-UHFFFAOYSA-N -1 3 383.105 3.208 20 0 GGADHM C[C@H]1CCCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000186873050 565291305 /nfs/dbraw/zinc/29/13/05/565291305.db2.gz VECIUFGTBOSFMP-LBPRGKRZSA-N -1 3 393.336 3.310 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cccc(Br)c2Cl)s1 ZINC000161736435 565292475 /nfs/dbraw/zinc/29/24/75/565292475.db2.gz AAARHRHXUVTYEV-UHFFFAOYSA-N -1 3 390.646 3.383 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3c(C)ccnc3Cl)cc2C[C@@H]1C ZINC000295902231 565293092 /nfs/dbraw/zinc/29/30/92/565293092.db2.gz IJHBGXBPTWDJFR-NSHDSACASA-N -1 3 379.869 3.142 20 0 GGADHM COC(=O)Cc1occ(C)c1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000296003903 565297681 /nfs/dbraw/zinc/29/76/81/565297681.db2.gz KCBLRKDILGEVJC-UHFFFAOYSA-N -1 3 382.210 3.332 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCCS1 ZINC000272828321 565297863 /nfs/dbraw/zinc/29/78/63/565297863.db2.gz DUGHEOWWUQEMAI-LBPRGKRZSA-N -1 3 382.429 3.301 20 0 GGADHM COc1cc(S(=O)(=O)[N-]Cc2ccsc2)c(OC)cc1Br ZINC000186967522 565298770 /nfs/dbraw/zinc/29/87/70/565298770.db2.gz PKNVRVXGOQCHSI-UHFFFAOYSA-N -1 3 392.296 3.006 20 0 GGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)cc1 ZINC000161953451 565298797 /nfs/dbraw/zinc/29/87/97/565298797.db2.gz YOHJPIWYTDUUOW-UHFFFAOYSA-N -1 3 381.519 3.027 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC(CCCO)CC2)cc(Br)c1[O-] ZINC000272839196 565299400 /nfs/dbraw/zinc/29/94/00/565299400.db2.gz NRSAVUBDOYDAHJ-SNAWJCMRSA-N -1 3 398.297 3.188 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2csc(COc3ccc(F)cc3)n2)[n-]c1C ZINC000296047754 565300168 /nfs/dbraw/zinc/30/01/68/565300168.db2.gz WGFABCALJMTKTI-UHFFFAOYSA-N -1 3 381.454 3.175 20 0 GGADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c1 ZINC000296072310 565300786 /nfs/dbraw/zinc/30/07/86/565300786.db2.gz VLFMBYBMNIQYQA-UHFFFAOYSA-N -1 3 395.278 3.472 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000296082705 565301331 /nfs/dbraw/zinc/30/13/31/565301331.db2.gz OQRWSOWKPMXRHL-JTQLQIEISA-N -1 3 383.286 3.487 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1ccc(Br)cc1F ZINC000162030577 565302402 /nfs/dbraw/zinc/30/24/02/565302402.db2.gz YPZBLPGQCXWEIY-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM COc1cc(C(=O)NCc2cc(F)ccc2Br)cc(OC)c1[O-] ZINC000162044715 565303131 /nfs/dbraw/zinc/30/31/31/565303131.db2.gz PKDNODGTZKRUKR-UHFFFAOYSA-N -1 3 384.201 3.241 20 0 GGADHM COc1ccc(Br)c(CC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000162124053 565304773 /nfs/dbraw/zinc/30/47/73/565304773.db2.gz ZHRPIXSKVQNEPF-UHFFFAOYSA-N -1 3 377.198 3.017 20 0 GGADHM COc1ccc(Br)c(CC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000162124053 565304779 /nfs/dbraw/zinc/30/47/79/565304779.db2.gz ZHRPIXSKVQNEPF-UHFFFAOYSA-N -1 3 377.198 3.017 20 0 GGADHM COc1ccc(Br)c(CC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000162124053 565304784 /nfs/dbraw/zinc/30/47/84/565304784.db2.gz ZHRPIXSKVQNEPF-UHFFFAOYSA-N -1 3 377.198 3.017 20 0 GGADHM Cc1ccc(C(=O)N2CCC(O)(c3scnc3Br)CC2)c([O-])c1 ZINC000373820587 565304967 /nfs/dbraw/zinc/30/49/67/565304967.db2.gz XGQQLDHINSRKSU-UHFFFAOYSA-N -1 3 397.294 3.043 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)[C@H]2CCO[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000296253218 565308564 /nfs/dbraw/zinc/30/85/64/565308564.db2.gz LOQKPDAOCZLKQF-ABAIWWIYSA-N -1 3 384.885 3.290 20 0 GGADHM CC[C@H](CSc1ccccc1)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000162207655 565309511 /nfs/dbraw/zinc/30/95/11/565309511.db2.gz NFOANSGCLNYKDW-CQSZACIVSA-N -1 3 398.575 3.104 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)s1 ZINC000187102364 565309519 /nfs/dbraw/zinc/30/95/19/565309519.db2.gz LWGCUPTVMVICMP-ZIAGYGMSSA-N -1 3 387.571 3.060 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CCNC(=O)OCC(F)(F)F ZINC000296268051 565309779 /nfs/dbraw/zinc/30/97/79/565309779.db2.gz YGTDLOKDNINXQN-UHFFFAOYSA-N -1 3 399.163 3.080 20 0 GGADHM COC[C@@]1(C)CCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000296343961 565313515 /nfs/dbraw/zinc/31/35/15/565313515.db2.gz DGQIRZMQJSTITA-BDUNBXCCSA-N -1 3 384.270 3.062 20 0 GGADHM COC[C@]1(C)CCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000296343966 565313903 /nfs/dbraw/zinc/31/39/03/565313903.db2.gz DGQIRZMQJSTITA-LAQIPUCWSA-N -1 3 384.270 3.062 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000187174483 565314653 /nfs/dbraw/zinc/31/46/53/565314653.db2.gz IHSIPLULESHGGA-ZBFHGGJFSA-N -1 3 387.929 3.348 20 0 GGADHM C[C@H](CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(Br)cc1 ZINC000273274852 565315683 /nfs/dbraw/zinc/31/56/83/565315683.db2.gz RXCPHOIEKXXOLP-LLVKDONJSA-N -1 3 376.254 3.023 20 0 GGADHM C[C@H](CCC(C)(C)C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000273316428 565316364 /nfs/dbraw/zinc/31/63/64/565316364.db2.gz OKTAKLBANWWYSO-CQSZACIVSA-N -1 3 386.583 3.480 20 0 GGADHM CCN(CC)c1nc2sc(C(=O)[N-]c3nnc4n3CCCC4)cc2s1 ZINC000162449372 565317653 /nfs/dbraw/zinc/31/76/53/565317653.db2.gz BNKVJYZNLFZVRU-UHFFFAOYSA-N -1 3 376.511 3.384 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCO[C@H](C4CC4)C3)s2)cs1 ZINC000162559029 565320541 /nfs/dbraw/zinc/32/05/41/565320541.db2.gz IRANNBCDRKVKSH-JSGCOSHPSA-N -1 3 384.548 3.416 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCO[C@@H](C4CC4)C3)s2)cs1 ZINC000162559209 565320747 /nfs/dbraw/zinc/32/07/47/565320747.db2.gz IRANNBCDRKVKSH-GXTWGEPZSA-N -1 3 384.548 3.416 20 0 GGADHM NC(=O)c1csc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000187351898 565325687 /nfs/dbraw/zinc/32/56/87/565325687.db2.gz UXQVQLDCPMSMHH-UHFFFAOYSA-N -1 3 378.866 3.195 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000162762920 565326876 /nfs/dbraw/zinc/32/68/76/565326876.db2.gz IQHNFPYUQICERC-QMTHXVAHSA-N -1 3 394.718 3.338 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2C)s1 ZINC000273604997 565327667 /nfs/dbraw/zinc/32/76/67/565327667.db2.gz MTRQQYOTQQECLB-VIFPVBQESA-N -1 3 390.328 3.265 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2nnc(C)s2)s1 ZINC000273657512 565328815 /nfs/dbraw/zinc/32/88/15/565328815.db2.gz XJMRVTKXLTWOAN-ZCFIWIBFSA-N -1 3 382.330 3.018 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1Cl ZINC000162814737 565328896 /nfs/dbraw/zinc/32/88/96/565328896.db2.gz ZEEQUNHITRXJIL-ZYHUDNBSSA-N -1 3 380.293 3.238 20 0 GGADHM COCCCn1cc(C)c(NCc2ccc(OC)c([O-])c2Br)n1 ZINC000296676900 565329240 /nfs/dbraw/zinc/32/92/40/565329240.db2.gz LASOWFXWSOSIFV-UHFFFAOYSA-N -1 3 384.274 3.317 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1Cl ZINC000162814822 565329302 /nfs/dbraw/zinc/32/93/02/565329302.db2.gz ZEEQUNHITRXJIL-CMPLNLGQSA-N -1 3 380.293 3.238 20 0 GGADHM C[C@H]1CC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C[C@H](C)O1 ZINC000162886917 565330531 /nfs/dbraw/zinc/33/05/31/565330531.db2.gz POAYSLFMOWOXBH-IUCAKERBSA-N -1 3 382.707 3.337 20 0 GGADHM COc1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c(Br)c1[O-] ZINC000273688354 565330749 /nfs/dbraw/zinc/33/07/49/565330749.db2.gz AXAUKNXTFHMYMA-TVQRCGJNSA-N -1 3 384.192 3.051 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187463232 565333900 /nfs/dbraw/zinc/33/39/00/565333900.db2.gz REJILQZKROKVMR-UHFFFAOYSA-N -1 3 387.299 3.349 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cs1 ZINC000162976181 565334121 /nfs/dbraw/zinc/33/41/21/565334121.db2.gz MCFORSSGTSDDKJ-UHFFFAOYSA-N -1 3 385.536 3.378 20 0 GGADHM CC[C@H]1[C@@H](C)CCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000187469824 565334881 /nfs/dbraw/zinc/33/48/81/565334881.db2.gz DFEXAOIWDQFGKS-FZMZJTMJSA-N -1 3 393.336 3.309 20 0 GGADHM COc1ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)c(Br)c1[O-] ZINC000273797341 565336902 /nfs/dbraw/zinc/33/69/02/565336902.db2.gz WKEZNEASMHOWNW-CYBMUJFWSA-N -1 3 386.286 3.138 20 0 GGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187542190 565339533 /nfs/dbraw/zinc/33/95/33/565339533.db2.gz UIRJRTWYGOQTGX-ZIAGYGMSSA-N -1 3 375.918 3.468 20 0 GGADHM COC(=O)c1cnc(SCc2nc(-c3cccc(Br)c3)no2)[n-]1 ZINC000187590426 565344266 /nfs/dbraw/zinc/34/42/66/565344266.db2.gz OKBSUJRKLYDZJT-UHFFFAOYSA-N -1 3 395.238 3.301 20 0 GGADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000296919157 565345552 /nfs/dbraw/zinc/34/55/52/565345552.db2.gz FQHFPCZLTRMBHX-LBPRGKRZSA-N -1 3 380.413 3.350 20 0 GGADHM O=C(CSc1cccc(Br)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000163489061 565347084 /nfs/dbraw/zinc/34/70/84/565347084.db2.gz XOKSLLWYMXDDOT-UHFFFAOYSA-N -1 3 381.177 3.317 20 0 GGADHM O=C(CSc1cccc(Br)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000163489061 565347089 /nfs/dbraw/zinc/34/70/89/565347089.db2.gz XOKSLLWYMXDDOT-UHFFFAOYSA-N -1 3 381.177 3.317 20 0 GGADHM CO[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000163923375 565352534 /nfs/dbraw/zinc/35/25/34/565352534.db2.gz PIUKCXFNICATEI-INIZCTEOSA-N -1 3 379.254 3.342 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000163981455 565353704 /nfs/dbraw/zinc/35/37/04/565353704.db2.gz LPFHLXIQLVQQPX-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000274198837 565360430 /nfs/dbraw/zinc/36/04/30/565360430.db2.gz NPKHCTONLKPTGW-HUUCEWRRSA-N -1 3 397.294 3.043 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000274198830 565360845 /nfs/dbraw/zinc/36/08/45/565360845.db2.gz NPKHCTONLKPTGW-CABCVRRESA-N -1 3 397.294 3.043 20 0 GGADHM O=c1[n-]c(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)nc2ccsc21 ZINC000187886455 565361371 /nfs/dbraw/zinc/36/13/71/565361371.db2.gz UKDCQWPYCMRXGP-AWEZNQCLSA-N -1 3 379.844 3.351 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)c(C)o1 ZINC000164521676 565361658 /nfs/dbraw/zinc/36/16/58/565361658.db2.gz FRABTAZTMHXISL-UHFFFAOYSA-N -1 3 388.239 3.246 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cncc(Br)c1 ZINC000274220367 565363069 /nfs/dbraw/zinc/36/30/69/565363069.db2.gz SIVJDIDTMWKJNF-HOCLYGCPSA-N -1 3 397.294 3.043 20 0 GGADHM O=C(CCc1nc2cc(Br)ccc2s1)[N-]OC[C@H]1CCOC1 ZINC000187983416 565369066 /nfs/dbraw/zinc/36/90/66/565369066.db2.gz XXDOAEDILXIDNU-JTQLQIEISA-N -1 3 385.283 3.076 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000274427827 565370714 /nfs/dbraw/zinc/37/07/14/565370714.db2.gz LSRYXYYGIAYGMZ-UHFFFAOYSA-N -1 3 399.925 3.350 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cn1C ZINC000165976676 565372318 /nfs/dbraw/zinc/37/23/18/565372318.db2.gz SCFOMIIJKOADAJ-MNOVXSKESA-N -1 3 375.416 3.218 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)Cc2c[nH]c3ccccc23)sc1Cl ZINC000188034034 565372640 /nfs/dbraw/zinc/37/26/40/565372640.db2.gz NEPUTBGIBNJEFL-GFCCVEGCSA-N -1 3 384.910 3.073 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccn1 ZINC000274600947 565374585 /nfs/dbraw/zinc/37/45/85/565374585.db2.gz DSSDIIDHVUAKID-CYBMUJFWSA-N -1 3 384.885 3.190 20 0 GGADHM CCN(C(=O)C(=O)[N-]c1sccc1C(=O)OC)[C@H](C)Cc1ccsc1 ZINC000188054406 565374804 /nfs/dbraw/zinc/37/48/04/565374804.db2.gz MTLGODJWLUOCLM-LLVKDONJSA-N -1 3 380.491 3.014 20 0 GGADHM CCN(C(=O)C(=O)[N-]c1sccc1C(=O)OC)[C@@H](C)Cc1ccsc1 ZINC000188054379 565374914 /nfs/dbraw/zinc/37/49/14/565374914.db2.gz MTLGODJWLUOCLM-NSHDSACASA-N -1 3 380.491 3.014 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(C(F)(F)F)c(F)c2)s1 ZINC000188068212 565375330 /nfs/dbraw/zinc/37/53/30/565375330.db2.gz BXJCBFVJSQBFEC-UHFFFAOYSA-N -1 3 377.319 3.054 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1C(F)(F)F ZINC000167251136 565378601 /nfs/dbraw/zinc/37/86/01/565378601.db2.gz FUBUTGFLFJYCMI-DFBGVHRSSA-N -1 3 375.412 3.331 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)o1 ZINC000274740548 565379154 /nfs/dbraw/zinc/37/91/54/565379154.db2.gz VSHOYWCBGQVWGH-UHFFFAOYSA-N -1 3 393.690 3.273 20 0 GGADHM O=S(=O)([N-]c1ccncc1F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000188102384 565379173 /nfs/dbraw/zinc/37/91/73/565379173.db2.gz INJFXQNRZYLWHT-NSHDSACASA-N -1 3 386.832 3.090 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000167729702 565379698 /nfs/dbraw/zinc/37/96/98/565379698.db2.gz QQLUCZAMASVDEM-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000167902417 565381150 /nfs/dbraw/zinc/38/11/50/565381150.db2.gz BYKLYTHHZGOFNP-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM CCCc1nc(C)c(C(=O)[N-]c2nc3cc(Br)ccn3n2)s1 ZINC000297795446 565386375 /nfs/dbraw/zinc/38/63/75/565386375.db2.gz RTPDSGZJXLHWOY-UHFFFAOYSA-N -1 3 380.271 3.462 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC(c3ccsc3)CC2)ccc1F ZINC000275013779 565389830 /nfs/dbraw/zinc/38/98/30/565389830.db2.gz UONWGBHZAVGKEP-UHFFFAOYSA-N -1 3 382.482 3.279 20 0 GGADHM [O-]C(=NOCC1CC1)Nc1nc2ccc(I)cc2s1 ZINC000297885508 565390809 /nfs/dbraw/zinc/39/08/09/565390809.db2.gz RGGUGPSCWJXJMV-UHFFFAOYSA-N -1 3 389.218 3.364 20 0 GGADHM O=C([N-]OCC1CC1)Nc1nc2ccc(I)cc2s1 ZINC000297885508 565390813 /nfs/dbraw/zinc/39/08/13/565390813.db2.gz RGGUGPSCWJXJMV-UHFFFAOYSA-N -1 3 389.218 3.364 20 0 GGADHM CSC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275059383 565392325 /nfs/dbraw/zinc/39/23/25/565392325.db2.gz JPNKLNLFBAUIDK-LBPRGKRZSA-N -1 3 393.958 3.175 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000188301192 565393144 /nfs/dbraw/zinc/39/31/44/565393144.db2.gz TXGMXMDQPDXIOI-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000188303092 565393630 /nfs/dbraw/zinc/39/36/30/565393630.db2.gz HPLBJIPTCLRRIX-UHFFFAOYSA-N -1 3 382.345 3.303 20 0 GGADHM CC(C)Oc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000188318245 565394431 /nfs/dbraw/zinc/39/44/31/565394431.db2.gz NLCXGBSNMVZSLD-UHFFFAOYSA-N -1 3 388.898 3.106 20 0 GGADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1Cl ZINC000188326169 565395910 /nfs/dbraw/zinc/39/59/10/565395910.db2.gz QKJNMEWORDHCSH-UHFFFAOYSA-N -1 3 388.814 3.032 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CSC(F)(F)F ZINC000170900053 565398150 /nfs/dbraw/zinc/39/81/50/565398150.db2.gz GYSBDRFVADMMTP-UHFFFAOYSA-N -1 3 396.334 3.268 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cn(C)nc2C)cc1Cl ZINC000170940536 565399640 /nfs/dbraw/zinc/39/96/40/565399640.db2.gz JISDDZKDDLKIOY-SECBINFHSA-N -1 3 378.281 3.083 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cnn(C)c2C)cc1Cl ZINC000170939698 565399825 /nfs/dbraw/zinc/39/98/25/565399825.db2.gz NVFJCUXVNDFXSH-MRVPVSSYSA-N -1 3 378.281 3.083 20 0 GGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000275277789 565400192 /nfs/dbraw/zinc/40/01/92/565400192.db2.gz VUDQCCUJXUCSNY-UHFFFAOYSA-N -1 3 383.392 3.234 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000298164907 565402694 /nfs/dbraw/zinc/40/26/94/565402694.db2.gz XVTAGVPMXZQYFM-UHFFFAOYSA-N -1 3 384.454 3.169 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1cccc(Cl)c1Cl ZINC000171045147 565405693 /nfs/dbraw/zinc/40/56/93/565405693.db2.gz ACTXCYYATJDPPA-UHFFFAOYSA-N -1 3 392.235 3.478 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCc2nccn2C1)c1c(Cl)cccc1C(F)(F)F ZINC000275364601 565405905 /nfs/dbraw/zinc/40/59/05/565405905.db2.gz WCKAMHVHRNZNIQ-JTQLQIEISA-N -1 3 393.818 3.096 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000188547587 565407659 /nfs/dbraw/zinc/40/76/59/565407659.db2.gz GYLQBGZHBZRZMP-RNCFNFMXSA-N -1 3 389.798 3.241 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000188552988 565408229 /nfs/dbraw/zinc/40/82/29/565408229.db2.gz HXKFQRRENKARJF-GZMMTYOYSA-N -1 3 377.837 3.163 20 0 GGADHM Cc1cc(C)c2[n-]cc(C(=O)Nc3cc(Br)c[nH]c3=O)c(=O)c2c1 ZINC000188541437 565408312 /nfs/dbraw/zinc/40/83/12/565408312.db2.gz TYTIMTQLCOAYPP-UHFFFAOYSA-N -1 3 388.221 3.260 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000188544974 565408339 /nfs/dbraw/zinc/40/83/39/565408339.db2.gz LVDPJVAUAXONLF-TVQRCGJNSA-N -1 3 389.798 3.241 20 0 GGADHM O=c1[n-]nc(SCc2cc(Cl)cc3cccnc32)n1C[C@@H]1CCCO1 ZINC000298315879 565408494 /nfs/dbraw/zinc/40/84/94/565408494.db2.gz QMQCABOQIGIWGL-AWEZNQCLSA-N -1 3 376.869 3.244 20 0 GGADHM O=c1[n-]nc(SCc2cc(Cl)cc3cccnc32)n1C[C@H]1CCCO1 ZINC000298315886 565408585 /nfs/dbraw/zinc/40/85/85/565408585.db2.gz QMQCABOQIGIWGL-CQSZACIVSA-N -1 3 376.869 3.244 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F ZINC000188560814 565409403 /nfs/dbraw/zinc/40/94/03/565409403.db2.gz USIUYMNJQPQQQH-NOZJJQNGSA-N -1 3 389.798 3.241 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000188557678 565409555 /nfs/dbraw/zinc/40/95/55/565409555.db2.gz QXSLEPKEGFADHK-QMTHXVAHSA-N -1 3 387.370 3.035 20 0 GGADHM CCSc1cc(C[N-]S(=O)(=O)c2sccc2Br)ccn1 ZINC000188643132 565414949 /nfs/dbraw/zinc/41/49/49/565414949.db2.gz NJPOZZNAEDWTOB-UHFFFAOYSA-N -1 3 393.353 3.496 20 0 GGADHM CCn1c2ccc(Br)cc2nc1NC(=O)c1cccc2nn[n-]c21 ZINC000188684158 565416478 /nfs/dbraw/zinc/41/64/78/565416478.db2.gz RWRUXCABPZJSCA-UHFFFAOYSA-N -1 3 385.225 3.342 20 0 GGADHM CCn1c2ccc(Br)cc2nc1NC(=O)c1cccc2[n-]nnc21 ZINC000188684158 565416486 /nfs/dbraw/zinc/41/64/86/565416486.db2.gz RWRUXCABPZJSCA-UHFFFAOYSA-N -1 3 385.225 3.342 20 0 GGADHM CCn1c2ccc(Br)cc2nc1NC(=O)c1cccc2n[n-]nc21 ZINC000188684158 565416492 /nfs/dbraw/zinc/41/64/92/565416492.db2.gz RWRUXCABPZJSCA-UHFFFAOYSA-N -1 3 385.225 3.342 20 0 GGADHM O=C(Nc1cnns1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000188695769 565418464 /nfs/dbraw/zinc/41/84/64/565418464.db2.gz RMYLPIDNPHKRRG-UHFFFAOYSA-N -1 3 394.865 3.245 20 0 GGADHM CCOc1cc(CNCCS(=O)(=O)Cc2ccccc2)cc(Cl)c1[O-] ZINC000298598019 565422535 /nfs/dbraw/zinc/42/25/35/565422535.db2.gz YZKNCPOFROUZKI-UHFFFAOYSA-N -1 3 383.897 3.149 20 0 GGADHM O=C(Nc1ccccc1[O-])C1CCN(c2ccc(Br)cn2)CC1 ZINC000298664334 565425242 /nfs/dbraw/zinc/42/52/42/565425242.db2.gz BRZPBIMDMLYFDM-UHFFFAOYSA-N -1 3 376.254 3.405 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccc1Br)c1ccco1 ZINC000188860417 565427303 /nfs/dbraw/zinc/42/73/03/565427303.db2.gz DKNDGTCSXSBUHU-UHFFFAOYSA-N -1 3 395.072 3.283 20 0 GGADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1cnc(Cl)c(F)c1 ZINC000376244479 565428483 /nfs/dbraw/zinc/42/84/83/565428483.db2.gz VASKUDZNJDLVEP-CYBMUJFWSA-N -1 3 383.857 3.399 20 0 GGADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1cnc(Cl)c(F)c1 ZINC000376244484 565428862 /nfs/dbraw/zinc/42/88/62/565428862.db2.gz VASKUDZNJDLVEP-ZDUSSCGKSA-N -1 3 383.857 3.399 20 0 GGADHM CC(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000188912005 565432172 /nfs/dbraw/zinc/43/21/72/565432172.db2.gz ROTNNTNDRXREOR-UHFFFAOYSA-N -1 3 377.238 3.352 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000276016357 565433952 /nfs/dbraw/zinc/43/39/52/565433952.db2.gz JYOKLBCLPPPULU-ZDUSSCGKSA-N -1 3 387.523 3.003 20 0 GGADHM C[C@H](C[S@@](C)=O)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000298949448 565435448 /nfs/dbraw/zinc/43/54/48/565435448.db2.gz OMDNRWXRTHUAGJ-XELLLNAOSA-N -1 3 375.519 3.263 20 0 GGADHM O=C(Nc1ccc(I)cc1)c1n[n-]nc1-c1ccccc1 ZINC000188978002 565436817 /nfs/dbraw/zinc/43/68/17/565436817.db2.gz GQLCGPIGBKEXIT-UHFFFAOYSA-N -1 3 390.184 3.329 20 0 GGADHM CC(C)N(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000171542580 565437108 /nfs/dbraw/zinc/43/71/08/565437108.db2.gz DAWCISDUHXXPIJ-UHFFFAOYSA-N -1 3 379.309 3.061 20 0 GGADHM Cc1cc(C)n2nc(C(=O)[N-]c3cc(F)cc(F)c3Br)nc2n1 ZINC000189042248 565440185 /nfs/dbraw/zinc/44/01/85/565440185.db2.gz GSJGBNFJDRPMQE-UHFFFAOYSA-N -1 3 382.168 3.034 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)cc1Cl ZINC000171629762 565440314 /nfs/dbraw/zinc/44/03/14/565440314.db2.gz CYIJWIOPGBIAAH-VIFPVBQESA-N -1 3 390.889 3.409 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000189063290 565441139 /nfs/dbraw/zinc/44/11/39/565441139.db2.gz PDAVKAICWHZJBN-UHFFFAOYSA-N -1 3 377.238 3.460 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189080236 565441995 /nfs/dbraw/zinc/44/19/95/565441995.db2.gz BYCKXVZJNPKLNR-CABCVRRESA-N -1 3 379.503 3.224 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189080281 565442825 /nfs/dbraw/zinc/44/28/25/565442825.db2.gz BYCKXVZJNPKLNR-GJZGRUSLSA-N -1 3 379.503 3.224 20 0 GGADHM CCOC(CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)OCC ZINC000276339313 565445248 /nfs/dbraw/zinc/44/52/48/565445248.db2.gz JQMIFKWUKFSLRT-UHFFFAOYSA-N -1 3 386.297 3.070 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000171713040 565445419 /nfs/dbraw/zinc/44/54/19/565445419.db2.gz DVEGZKPHUUAQDT-HNNXBMFYSA-N -1 3 379.894 3.401 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C)s2)cc1OC ZINC000299276528 565446270 /nfs/dbraw/zinc/44/62/70/565446270.db2.gz SAGXQTVVSRNMGI-UHFFFAOYSA-N -1 3 383.495 3.148 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000276415991 565448456 /nfs/dbraw/zinc/44/84/56/565448456.db2.gz HWNUEONVNPBYLB-LLVKDONJSA-N -1 3 385.251 3.328 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000276415991 565448459 /nfs/dbraw/zinc/44/84/59/565448459.db2.gz HWNUEONVNPBYLB-LLVKDONJSA-N -1 3 385.251 3.328 20 0 GGADHM COc1c(Cl)cc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)[N-]C2=O)cc1Cl ZINC000299674511 565458616 /nfs/dbraw/zinc/45/86/16/565458616.db2.gz RKGYADUWZWRNGX-XCBNKYQSSA-N -1 3 385.169 3.398 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)sc1Cl ZINC000276755318 565460071 /nfs/dbraw/zinc/46/00/71/565460071.db2.gz UCHUFBBDUUMNGV-CHNSCGDPSA-N -1 3 377.940 3.487 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)sc1Cl ZINC000276755338 565460282 /nfs/dbraw/zinc/46/02/82/565460282.db2.gz UCHUFBBDUUMNGV-UZJPJQLHSA-N -1 3 377.940 3.487 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276853171 565463226 /nfs/dbraw/zinc/46/32/26/565463226.db2.gz DYXHTQARFBFWAJ-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2scc(C)c2Cl)s1 ZINC000276865356 565464297 /nfs/dbraw/zinc/46/42/97/565464297.db2.gz PUWYMTOQYJGVIG-UHFFFAOYSA-N -1 3 377.900 3.469 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(Br)cc1Br ZINC000189443986 565465972 /nfs/dbraw/zinc/46/59/72/565465972.db2.gz HWODFKVWCMCJOU-MRVPVSSYSA-N -1 3 394.063 3.301 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(Br)cc1Br ZINC000189443986 565465976 /nfs/dbraw/zinc/46/59/76/565465976.db2.gz HWODFKVWCMCJOU-MRVPVSSYSA-N -1 3 394.063 3.301 20 0 GGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)n[nH]1 ZINC000276934924 565467500 /nfs/dbraw/zinc/46/75/00/565467500.db2.gz MTVRADJRCVXMJL-ZJUUUORDSA-N -1 3 384.889 3.214 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377150754 565468746 /nfs/dbraw/zinc/46/87/46/565468746.db2.gz NNNUSTWHZQGJAV-SNVBAGLBSA-N -1 3 378.219 3.375 20 0 GGADHM Cn1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc(Br)c1=O ZINC000189493691 565469681 /nfs/dbraw/zinc/46/96/81/565469681.db2.gz OZGNKGKBWYDFQX-UHFFFAOYSA-N -1 3 391.143 3.125 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccsc1Cl ZINC000189500410 565469819 /nfs/dbraw/zinc/46/98/19/565469819.db2.gz GUESGUNRPQVMSH-ZDUSSCGKSA-N -1 3 390.889 3.482 20 0 GGADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377181467 565470069 /nfs/dbraw/zinc/47/00/69/565470069.db2.gz BXWUNAHAZXUMTQ-JTQLQIEISA-N -1 3 378.219 3.375 20 0 GGADHM Cc1nc(CCCNCc2nc3ccc(Cl)cc3n2C)sc1C(=O)[O-] ZINC000276986551 565470231 /nfs/dbraw/zinc/47/02/31/565470231.db2.gz JFDUAIBBBLXARW-UHFFFAOYSA-N -1 3 378.885 3.412 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000276996806 565470362 /nfs/dbraw/zinc/47/03/62/565470362.db2.gz TXNYAKLLRFSUCA-NXEZZACHSA-N -1 3 387.303 3.120 20 0 GGADHM COc1c(Br)cccc1CNCCc1nc(C)c(C(=O)[O-])s1 ZINC000277014911 565471544 /nfs/dbraw/zinc/47/15/44/565471544.db2.gz NNLDVCBGRXTJID-UHFFFAOYSA-N -1 3 385.283 3.253 20 0 GGADHM COc1c(Br)cc(Br)cc1CNCC(C)(C)C(=O)[O-] ZINC000277039738 565472347 /nfs/dbraw/zinc/47/23/47/565472347.db2.gz QPUMIASUPNULSQ-UHFFFAOYSA-N -1 3 395.091 3.421 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)Nc1ccc(Cl)cc1 ZINC000189545494 565474514 /nfs/dbraw/zinc/47/45/14/565474514.db2.gz QPSIRCJYEXFGFE-UHFFFAOYSA-N -1 3 391.251 3.191 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1Br ZINC000277058450 565474566 /nfs/dbraw/zinc/47/45/66/565474566.db2.gz MWPJDFIEXWSTRA-SNVBAGLBSA-N -1 3 394.718 3.483 20 0 GGADHM COc1cc(Br)c(CNCCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000277100602 565475768 /nfs/dbraw/zinc/47/57/68/565475768.db2.gz ZAISZPIZKHSHPA-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM COc1cccc(C[C@H](NCc2cc(Br)ccc2OC)C(=O)[O-])c1 ZINC000277111418 565477190 /nfs/dbraw/zinc/47/71/90/565477190.db2.gz AIYDIHDOOLWSQQ-INIZCTEOSA-N -1 3 394.265 3.252 20 0 GGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cccc(Cl)c1Cl ZINC000277125557 565477954 /nfs/dbraw/zinc/47/79/54/565477954.db2.gz BFBYGJHPKZHUEH-SNVBAGLBSA-N -1 3 382.169 3.452 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cccc(Cl)c1Cl ZINC000277125551 565478271 /nfs/dbraw/zinc/47/82/71/565478271.db2.gz BFBYGJHPKZHUEH-JTQLQIEISA-N -1 3 382.169 3.452 20 0 GGADHM O=C([O-])c1ccc(N2CCC(NCc3ccc(Br)o3)CC2)cc1 ZINC000277166009 565480118 /nfs/dbraw/zinc/48/01/18/565480118.db2.gz DLPOZYPJEDTMOZ-UHFFFAOYSA-N -1 3 379.254 3.499 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000189674320 565480888 /nfs/dbraw/zinc/48/08/88/565480888.db2.gz HVZURFZXKNATOP-UHFFFAOYSA-N -1 3 377.846 3.114 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(F)c1 ZINC000189668249 565480923 /nfs/dbraw/zinc/48/09/23/565480923.db2.gz SNAAXRGZQIADOV-VIFPVBQESA-N -1 3 375.418 3.161 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc([C@H]4C[C@@]45CCOC5)n3)[n-]2)c1 ZINC000377462957 565481048 /nfs/dbraw/zinc/48/10/48/565481048.db2.gz KZNQRBVRQWOKTB-BDJLRTHQSA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@H]4C[C@@]45CCOC5)n3)n2)c1 ZINC000377462957 565481049 /nfs/dbraw/zinc/48/10/49/565481049.db2.gz KZNQRBVRQWOKTB-BDJLRTHQSA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2nc(-c3noc([C@H]4C[C@@]45CCOC5)n3)n[n-]2)c1 ZINC000377462957 565481051 /nfs/dbraw/zinc/48/10/51/565481051.db2.gz KZNQRBVRQWOKTB-BDJLRTHQSA-N -1 3 388.225 3.178 20 0 GGADHM O=[S@@](Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1)C1CCCCC1 ZINC000172370060 565481525 /nfs/dbraw/zinc/48/15/25/565481525.db2.gz AGEMWTZWIHWVDS-OSPHWJPCSA-N -1 3 385.551 3.189 20 0 GGADHM Cc1csc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c1I ZINC000189709508 565483832 /nfs/dbraw/zinc/48/38/32/565483832.db2.gz JJGSJIQUBZUEAB-UHFFFAOYSA-N -1 3 388.234 3.299 20 0 GGADHM CC(C)(C)CCCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000172394016 565483839 /nfs/dbraw/zinc/48/38/39/565483839.db2.gz URUSKNNOYHIBJZ-UHFFFAOYSA-N -1 3 387.571 3.027 20 0 GGADHM COc1cccc(C[C@@H](NCc2cc(OC)ccc2Br)C(=O)[O-])c1 ZINC000277220442 565484002 /nfs/dbraw/zinc/48/40/02/565484002.db2.gz HWMPMHXVFQAZQH-QGZVFWFLSA-N -1 3 394.265 3.252 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1cc(Br)cc2c1OCC2 ZINC000277245796 565484502 /nfs/dbraw/zinc/48/45/02/565484502.db2.gz JOBCHINYFDLETE-INIZCTEOSA-N -1 3 394.240 3.309 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1cc(Br)ccc1N1CCCC1 ZINC000189734456 565484843 /nfs/dbraw/zinc/48/48/43/565484843.db2.gz BAHMQZGOVKCEAW-GFCCVEGCSA-N -1 3 384.274 3.139 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(Br)ccc1N1CCCC1 ZINC000189734456 565484849 /nfs/dbraw/zinc/48/48/49/565484849.db2.gz BAHMQZGOVKCEAW-GFCCVEGCSA-N -1 3 384.274 3.139 20 0 GGADHM CC(C)[C@@H](CNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000277262777 565485598 /nfs/dbraw/zinc/48/55/98/565485598.db2.gz KVFYHRCMMYAIKF-SECBINFHSA-N -1 3 380.080 3.053 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000189750027 565485797 /nfs/dbraw/zinc/48/57/97/565485797.db2.gz GJZKZYCWUOASDL-MRVPVSSYSA-N -1 3 399.163 3.437 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000189750027 565485802 /nfs/dbraw/zinc/48/58/02/565485802.db2.gz GJZKZYCWUOASDL-MRVPVSSYSA-N -1 3 399.163 3.437 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Br)c1 ZINC000172465956 565487019 /nfs/dbraw/zinc/48/70/19/565487019.db2.gz ZGDYLHQHAMMOKQ-GFCCVEGCSA-N -1 3 388.283 3.013 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Br)c1 ZINC000172465954 565487265 /nfs/dbraw/zinc/48/72/65/565487265.db2.gz ZGDYLHQHAMMOKQ-LBPRGKRZSA-N -1 3 388.283 3.013 20 0 GGADHM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000172506628 565489824 /nfs/dbraw/zinc/48/98/24/565489824.db2.gz JEQMXJXUNUWPHH-UHFFFAOYSA-N -1 3 386.832 3.177 20 0 GGADHM CCOc1cnc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cn1 ZINC000189827923 565490800 /nfs/dbraw/zinc/49/08/00/565490800.db2.gz VNMJZRXXKVJCOA-UHFFFAOYSA-N -1 3 375.841 3.223 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCCCC[C@@H]2CC(C)C)s1 ZINC000172598396 565493641 /nfs/dbraw/zinc/49/36/41/565493641.db2.gz IDWZSNXYUKBTQC-CQSZACIVSA-N -1 3 387.571 3.157 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCCCC[C@H]2CC(C)C)s1 ZINC000172598391 565494330 /nfs/dbraw/zinc/49/43/30/565494330.db2.gz IDWZSNXYUKBTQC-AWEZNQCLSA-N -1 3 387.571 3.157 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000277401584 565494688 /nfs/dbraw/zinc/49/46/88/565494688.db2.gz RXTJUPYTBPFWOP-KRWDZBQOSA-N -1 3 390.281 3.360 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000189969721 565499658 /nfs/dbraw/zinc/49/96/58/565499658.db2.gz GMMKEQWBTWKPQN-UHFFFAOYSA-N -1 3 398.487 3.038 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1CCCCO1 ZINC000190029888 565502928 /nfs/dbraw/zinc/50/29/28/565502928.db2.gz CTGGTMOJBBOEEU-UHFFFAOYSA-N -1 3 380.853 3.308 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000190030594 565503135 /nfs/dbraw/zinc/50/31/35/565503135.db2.gz SZGDHCSFIOFTGM-CYBMUJFWSA-N -1 3 385.894 3.462 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1nc(C(C)(C)C)cs1 ZINC000190059300 565505332 /nfs/dbraw/zinc/50/53/32/565505332.db2.gz GGRNRFKCBZOGHG-UHFFFAOYSA-N -1 3 388.536 3.076 20 0 GGADHM CCN(CC)CC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000277593485 565509017 /nfs/dbraw/zinc/50/90/17/565509017.db2.gz VAQHPKVOQHUJFF-UHFFFAOYSA-N -1 3 380.080 3.198 20 0 GGADHM CCCNc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000190136004 565511133 /nfs/dbraw/zinc/51/11/33/565511133.db2.gz LVUFEMSAWNQVMY-UHFFFAOYSA-N -1 3 387.914 3.140 20 0 GGADHM Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]c1cc(Br)c(F)cc1F ZINC000190238279 565517303 /nfs/dbraw/zinc/51/73/03/565517303.db2.gz PTBWGCMQCVUTDO-UHFFFAOYSA-N -1 3 384.136 3.118 20 0 GGADHM CCc1nnc([N-]C(=O)c2scc(C)c2I)s1 ZINC000190222449 565517649 /nfs/dbraw/zinc/51/76/49/565517649.db2.gz QNEMFTLPHDUYNO-UHFFFAOYSA-N -1 3 379.248 3.327 20 0 GGADHM C[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1C ZINC000173001260 565518306 /nfs/dbraw/zinc/51/83/06/565518306.db2.gz PNLIQSHVUSUDJR-NEPJUHHUSA-N -1 3 393.336 3.309 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl ZINC000190256209 565518558 /nfs/dbraw/zinc/51/85/58/565518558.db2.gz MSCGUXMBGHAOME-SECBINFHSA-N -1 3 393.317 3.211 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2CC2)c(Br)c1 ZINC000173003417 565519012 /nfs/dbraw/zinc/51/90/12/565519012.db2.gz UTGBTDCPPJACMX-UHFFFAOYSA-N -1 3 383.105 3.208 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3scc(C)c3Cl)CC2)[n-]1 ZINC000277787456 565519802 /nfs/dbraw/zinc/51/98/02/565519802.db2.gz SITBUEYZRMUPDS-UHFFFAOYSA-N -1 3 382.873 3.025 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3scc(C)c3Cl)CC2)n[n-]1 ZINC000277787456 565519803 /nfs/dbraw/zinc/51/98/03/565519803.db2.gz SITBUEYZRMUPDS-UHFFFAOYSA-N -1 3 382.873 3.025 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCC(F)(F)F ZINC000173086709 565525728 /nfs/dbraw/zinc/52/57/28/565525728.db2.gz PZBPKFHUALWLFV-UHFFFAOYSA-N -1 3 378.294 3.358 20 0 GGADHM CCOC(=O)c1nc(C2CCN(Cc3sccc3Br)CC2)n[n-]1 ZINC000277893475 565527186 /nfs/dbraw/zinc/52/71/86/565527186.db2.gz WCAZZZOAZKRDMH-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(Cc3sccc3Br)CC2)[n-]1 ZINC000277893475 565527191 /nfs/dbraw/zinc/52/71/91/565527191.db2.gz WCAZZZOAZKRDMH-UHFFFAOYSA-N -1 3 399.314 3.185 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cccc(CC(F)(F)F)c1 ZINC000173128718 565528834 /nfs/dbraw/zinc/52/88/34/565528834.db2.gz XLMYOFVEPWLNRU-UHFFFAOYSA-N -1 3 392.424 3.160 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000190439271 565531984 /nfs/dbraw/zinc/53/19/84/565531984.db2.gz ORYJLIULGKGURH-GFCCVEGCSA-N -1 3 387.860 3.371 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000190439253 565532397 /nfs/dbraw/zinc/53/23/97/565532397.db2.gz ORYJLIULGKGURH-LBPRGKRZSA-N -1 3 387.860 3.371 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000190456299 565533344 /nfs/dbraw/zinc/53/33/44/565533344.db2.gz LWOFKQTYAZCNFQ-STQMWFEESA-N -1 3 384.885 3.188 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000190448645 565533603 /nfs/dbraw/zinc/53/36/03/565533603.db2.gz GHTBXKPFHFGPTK-NSHDSACASA-N -1 3 375.899 3.294 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000190507967 565537852 /nfs/dbraw/zinc/53/78/52/565537852.db2.gz ZNKDBDIJBXPXJZ-UHFFFAOYSA-N -1 3 379.862 3.044 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCCO1 ZINC000379225185 565538433 /nfs/dbraw/zinc/53/84/33/565538433.db2.gz LVBQFQFBDMFLHY-BXKDBHETSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCCO1 ZINC000379225189 565538701 /nfs/dbraw/zinc/53/87/01/565538701.db2.gz LVBQFQFBDMFLHY-SKDRFNHKSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCCO1 ZINC000379209066 565538966 /nfs/dbraw/zinc/53/89/66/565538966.db2.gz CTYJTJAGEZIHJI-TVQRCGJNSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190534289 565540495 /nfs/dbraw/zinc/54/04/95/565540495.db2.gz CKLQUGNWBLKEJC-UHFFFAOYSA-N -1 3 375.158 3.232 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1ccc(Br)c(F)c1 ZINC000381447905 565540853 /nfs/dbraw/zinc/54/08/53/565540853.db2.gz GHTITUZQDFDEDD-UHFFFAOYSA-N -1 3 399.285 3.425 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1ccc(Br)s1 ZINC000381333544 565541057 /nfs/dbraw/zinc/54/10/57/565541057.db2.gz CDKKYKRDXKQHBO-UHFFFAOYSA-N -1 3 387.324 3.347 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(C(C)C)c(Cl)c2)s1 ZINC000190548437 565541482 /nfs/dbraw/zinc/54/14/82/565541482.db2.gz HWIUDXIPEDWCQG-UHFFFAOYSA-N -1 3 386.926 3.363 20 0 GGADHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)OC ZINC000381173247 565541520 /nfs/dbraw/zinc/54/15/20/565541520.db2.gz COXHWVRSSBNPBI-SKDRFNHKSA-N -1 3 384.723 3.442 20 0 GGADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)OC ZINC000381315212 565541794 /nfs/dbraw/zinc/54/17/94/565541794.db2.gz UYZUWISQYLALOT-ZANVPECISA-N -1 3 384.723 3.442 20 0 GGADHM O=C([N-]c1cnns1)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000278151656 565543312 /nfs/dbraw/zinc/54/33/12/565543312.db2.gz HKAFLFPJKTWRQX-UHFFFAOYSA-N -1 3 385.276 3.022 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000173276622 565543694 /nfs/dbraw/zinc/54/36/94/565543694.db2.gz XYMLVJIBXMZCEG-UHFFFAOYSA-N -1 3 389.260 3.382 20 0 GGADHM Cc1cc(C)n2nc(C(=O)[N-]c3cc(Br)c(F)cc3F)nc2n1 ZINC000190591011 565544109 /nfs/dbraw/zinc/54/41/09/565544109.db2.gz JNZHOHWVLCLVGX-UHFFFAOYSA-N -1 3 382.168 3.034 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CC1 ZINC000384054223 565544680 /nfs/dbraw/zinc/54/46/80/565544680.db2.gz XKIRHOYTZHQAKH-CYBMUJFWSA-N -1 3 382.707 3.196 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1nccs1 ZINC000190627721 565547185 /nfs/dbraw/zinc/54/71/85/565547185.db2.gz GMCRMCKSHMBATG-MNOVXSKESA-N -1 3 390.914 3.250 20 0 GGADHM Oc1[n-]c(N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nc2nncc1-2 ZINC000302668661 565550126 /nfs/dbraw/zinc/55/01/26/565550126.db2.gz CWXOOXNWBOCCIP-SNVBAGLBSA-N -1 3 379.251 3.446 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000190661377 565550895 /nfs/dbraw/zinc/55/08/95/565550895.db2.gz UDFZKDQPHNTQBN-UHFFFAOYSA-N -1 3 387.498 3.169 20 0 GGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000388340447 565550822 /nfs/dbraw/zinc/55/08/22/565550822.db2.gz JNLOXOLMKMJYMB-ISVAXAHUSA-N -1 3 382.707 3.194 20 0 GGADHM CC(C)(C)[S@@](=O)Cc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333937 565551518 /nfs/dbraw/zinc/55/15/18/565551518.db2.gz YHJNZJFYIYQTCE-VDBVYFBLSA-N -1 3 376.400 3.111 20 0 GGADHM COc1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1[O-] ZINC000278361204 565553057 /nfs/dbraw/zinc/55/30/57/565553057.db2.gz JPZBXEROGSMIRE-IINYFYTJSA-N -1 3 398.219 3.299 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000389082336 565553645 /nfs/dbraw/zinc/55/36/45/565553645.db2.gz ZBNBHODUWXUPAB-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(C(=O)OC)c1C)c1nc(C)cs1 ZINC000173376694 565554074 /nfs/dbraw/zinc/55/40/74/565554074.db2.gz HLJZCDIZXCEOEK-QGZVFWFLSA-N -1 3 382.507 3.150 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](C)Cc1cccs1 ZINC000190715681 565554438 /nfs/dbraw/zinc/55/44/38/565554438.db2.gz KBPFBJSEPJZEDO-ZDUSSCGKSA-N -1 3 387.498 3.070 20 0 GGADHM O=S(=O)([N-]CCCOc1ccccc1)c1ccc(Br)c(F)c1 ZINC000389755885 565554603 /nfs/dbraw/zinc/55/46/03/565554603.db2.gz NSQREBLUXJGADZ-UHFFFAOYSA-N -1 3 388.258 3.336 20 0 GGADHM CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190736676 565555336 /nfs/dbraw/zinc/55/53/36/565555336.db2.gz NPMBKUPRYSSMHU-UHFFFAOYSA-N -1 3 375.918 3.206 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302762188 565555732 /nfs/dbraw/zinc/55/57/32/565555732.db2.gz XOZHECOBKZHFRS-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)C2CC2)n1 ZINC000173465470 565559917 /nfs/dbraw/zinc/55/99/17/565559917.db2.gz POYWPLQJUIGSFL-MRXNPFEDSA-N -1 3 380.491 3.042 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)cc1OC ZINC000173487175 565560607 /nfs/dbraw/zinc/56/06/07/565560607.db2.gz PBWFOMRECZFOKH-HNNXBMFYSA-N -1 3 386.470 3.037 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)C2CC2)s1 ZINC000173487453 565560678 /nfs/dbraw/zinc/56/06/78/565560678.db2.gz JNQVMVRIIIJUOY-MRXNPFEDSA-N -1 3 380.491 3.042 20 0 GGADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)C2CC2)s1 ZINC000173487467 565561039 /nfs/dbraw/zinc/56/10/39/565561039.db2.gz JNQVMVRIIIJUOY-INIZCTEOSA-N -1 3 380.491 3.042 20 0 GGADHM O=C(N1CCc2c(=O)[n-]cnc2C1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000278492655 565562144 /nfs/dbraw/zinc/56/21/44/565562144.db2.gz KAXXFGYAHHNSJH-UHFFFAOYSA-N -1 3 378.259 3.496 20 0 GGADHM CC(C)Nc1ccc(F)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000173516018 565563343 /nfs/dbraw/zinc/56/33/43/565563343.db2.gz JNXHWVWQCPFTRF-NSHDSACASA-N -1 3 385.486 3.013 20 0 GGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000392278726 565564003 /nfs/dbraw/zinc/56/40/03/565564003.db2.gz FIKZUWAXNTYCGG-KRWDZBQOSA-N -1 3 394.269 3.432 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)C ZINC000173522652 565563954 /nfs/dbraw/zinc/56/39/54/565563954.db2.gz GGVPJCLTSSDDGK-OAHLLOKOSA-N -1 3 394.896 3.167 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000392146327 565564626 /nfs/dbraw/zinc/56/46/26/565564626.db2.gz BSOFBNPXANBHTE-WDEREUQCSA-N -1 3 385.835 3.436 20 0 GGADHM CCC1CCC(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000303100953 565566739 /nfs/dbraw/zinc/56/67/39/565566739.db2.gz LBDVZPQXHSWILH-UHFFFAOYSA-N -1 3 378.947 3.012 20 0 GGADHM CCC1CCC(N(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)C2CC2)CC1 ZINC000303054962 565566852 /nfs/dbraw/zinc/56/68/52/565566852.db2.gz KCQGHOLUYJHBGA-WLYUNCDWSA-N -1 3 384.567 3.375 20 0 GGADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000393446749 565568590 /nfs/dbraw/zinc/56/85/90/565568590.db2.gz BAUHDJCWBXFSNU-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000173625727 565570577 /nfs/dbraw/zinc/57/05/77/565570577.db2.gz DGRUQRIPDHVEBB-JTQLQIEISA-N -1 3 392.424 3.381 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1ccc(Br)cc1F ZINC000394469229 565570846 /nfs/dbraw/zinc/57/08/46/565570846.db2.gz BGAKAXSYROUMIH-UHFFFAOYSA-N -1 3 399.285 3.425 20 0 GGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000303482028 565570978 /nfs/dbraw/zinc/57/09/78/565570978.db2.gz JGSNJRIIVZWHQJ-MRXNPFEDSA-N -1 3 380.535 3.238 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC000173637775 565572065 /nfs/dbraw/zinc/57/20/65/565572065.db2.gz NOGXPZRTNGPWJQ-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000303777225 565574038 /nfs/dbraw/zinc/57/40/38/565574038.db2.gz GHPQXOOUKNUWCK-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](CC)C2)cc1 ZINC000303790883 565574140 /nfs/dbraw/zinc/57/41/40/565574140.db2.gz JWUAACQMMLAEDG-HNNXBMFYSA-N -1 3 388.555 3.039 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C)C2)cc1 ZINC000303845244 565575146 /nfs/dbraw/zinc/57/51/46/565575146.db2.gz UBBAKJCUVVOGOX-GOEBONIOSA-N -1 3 388.555 3.085 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(F)(F)F ZINC000396877648 565575444 /nfs/dbraw/zinc/57/54/44/565575444.db2.gz AEVDZCFJTMKGFI-SSDOTTSWSA-N -1 3 378.185 3.455 20 0 GGADHM CC1(C)CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000173692218 565576922 /nfs/dbraw/zinc/57/69/22/565576922.db2.gz RGOHFCBCNQJMKR-UHFFFAOYSA-N -1 3 384.548 3.160 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000191007221 565577405 /nfs/dbraw/zinc/57/74/05/565577405.db2.gz ALOOVKIHEOOYQM-UHFFFAOYSA-N -1 3 395.239 3.354 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(F)c1Cl ZINC000173718337 565578582 /nfs/dbraw/zinc/57/85/82/565578582.db2.gz WDRACAIMYWVYQQ-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000401429868 565580860 /nfs/dbraw/zinc/58/08/60/565580860.db2.gz UCBKYBGBQWNYEX-JTQLQIEISA-N -1 3 382.707 3.198 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000191090970 565581783 /nfs/dbraw/zinc/58/17/83/565581783.db2.gz AXUJNLCHFDKTRQ-UHFFFAOYSA-N -1 3 382.507 3.014 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCn2cc(Br)cn2)sc1Cl ZINC000312404733 565581684 /nfs/dbraw/zinc/58/16/84/565581684.db2.gz FFTZYKUQEWIAEO-UHFFFAOYSA-N -1 3 398.735 3.038 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(COC(C)(C)C)on1 ZINC000278901759 565583969 /nfs/dbraw/zinc/58/39/69/565583969.db2.gz YQPFDKIYFMEEFW-UHFFFAOYSA-N -1 3 388.873 3.130 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)s2)c(F)c1 ZINC000404936325 565584269 /nfs/dbraw/zinc/58/42/69/565584269.db2.gz OJXXRTNXDHGKDM-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM Cc1sc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)c(C)n1 ZINC000313807638 565584752 /nfs/dbraw/zinc/58/47/52/565584752.db2.gz HOFQWGQEYPUYGD-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(Cl)c(Br)c1 ZINC000191170644 565586078 /nfs/dbraw/zinc/58/60/78/565586078.db2.gz CFKNDLAKZKDHPO-UHFFFAOYSA-N -1 3 387.646 3.175 20 0 GGADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(Cl)c(Br)c1 ZINC000191170644 565586081 /nfs/dbraw/zinc/58/60/81/565586081.db2.gz CFKNDLAKZKDHPO-UHFFFAOYSA-N -1 3 387.646 3.175 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc(Cl)c(Br)c1 ZINC000314667714 565587204 /nfs/dbraw/zinc/58/72/04/565587204.db2.gz PMIIWYQEAWEKPL-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000314772995 565587609 /nfs/dbraw/zinc/58/76/09/565587609.db2.gz AMHALLJFJMVKIS-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCOc2cccc(Br)c2)C1 ZINC000315201246 565589137 /nfs/dbraw/zinc/58/91/37/565589137.db2.gz DILNATBRLIWSDK-ZDUSSCGKSA-N -1 3 382.176 3.167 20 0 GGADHM Cc1sc(CC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)nc1C(C)C ZINC000279033977 565591127 /nfs/dbraw/zinc/59/11/27/565591127.db2.gz PLOWSLAWDFOIPG-UHFFFAOYSA-N -1 3 385.486 3.267 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)sc1Br ZINC000408087044 565593260 /nfs/dbraw/zinc/59/32/60/565593260.db2.gz BMBBSGLHNYBLNL-MNOVXSKESA-N -1 3 382.345 3.301 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)cc2c1OCC2)c1ccccc1F ZINC000317349656 565594417 /nfs/dbraw/zinc/59/44/17/565594417.db2.gz HKJWYPXAXOMCRJ-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000279078527 565594431 /nfs/dbraw/zinc/59/44/31/565594431.db2.gz BEOMHYUYBNXWSL-HNNXBMFYSA-N -1 3 392.249 3.252 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CCCC2)C1)c1sccc1Br ZINC000173867142 565594941 /nfs/dbraw/zinc/59/49/41/565594941.db2.gz DKBBRVJGVZZHRF-GFCCVEGCSA-N -1 3 393.372 3.053 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C2CC2)sc1Br ZINC000408183815 565597663 /nfs/dbraw/zinc/59/76/63/565597663.db2.gz UTTBGMRIDASSPQ-DGCLKSJQSA-N -1 3 380.329 3.055 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCCC[C@H]2C[C@@H](C)O)cc(Br)c1[O-] ZINC000279146306 565598020 /nfs/dbraw/zinc/59/80/20/565598020.db2.gz COAPPSXLJHWWON-WDYNUWJLSA-N -1 3 398.297 3.329 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCCC[C@@H]2C[C@H](C)O)cc(Br)c1[O-] ZINC000279146312 565598298 /nfs/dbraw/zinc/59/82/98/565598298.db2.gz COAPPSXLJHWWON-XFUXEANSSA-N -1 3 398.297 3.329 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000319495503 565599396 /nfs/dbraw/zinc/59/93/96/565599396.db2.gz LERGKNMQPMUHMG-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H](C)CO1 ZINC000408274076 565601497 /nfs/dbraw/zinc/60/14/97/565601497.db2.gz ITUGLCGMEJJTEZ-IUCAKERBSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])[C@@H](C)CO1 ZINC000408274076 565601502 /nfs/dbraw/zinc/60/15/02/565601502.db2.gz ITUGLCGMEJJTEZ-IUCAKERBSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@H](C)O1 ZINC000408271094 565602138 /nfs/dbraw/zinc/60/21/38/565602138.db2.gz UVTSAMJYLNAKPA-DTORHVGOSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C[C@H](C)O1 ZINC000408271094 565602141 /nfs/dbraw/zinc/60/21/41/565602141.db2.gz UVTSAMJYLNAKPA-DTORHVGOSA-N -1 3 399.672 3.193 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 ZINC000173970890 565603083 /nfs/dbraw/zinc/60/30/83/565603083.db2.gz NPDAUWAZQJLFOJ-GFCCVEGCSA-N -1 3 382.869 3.426 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC000173978188 565604285 /nfs/dbraw/zinc/60/42/85/565604285.db2.gz VUHBBLFOGIZZAJ-UHFFFAOYSA-N -1 3 377.447 3.335 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000173978356 565604359 /nfs/dbraw/zinc/60/43/59/565604359.db2.gz VASQEFCVGOXYOP-UHFFFAOYSA-N -1 3 382.700 3.476 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000173981867 565604382 /nfs/dbraw/zinc/60/43/82/565604382.db2.gz HVOXILXHPZMXCK-UHFFFAOYSA-N -1 3 381.807 3.188 20 0 GGADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCO1 ZINC000408387039 565607695 /nfs/dbraw/zinc/60/76/95/565607695.db2.gz VTGOTLQWRYENAU-SECBINFHSA-N -1 3 399.672 3.195 20 0 GGADHM C[C@@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCCO1 ZINC000408387039 565607698 /nfs/dbraw/zinc/60/76/98/565607698.db2.gz VTGOTLQWRYENAU-SECBINFHSA-N -1 3 399.672 3.195 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCOc1ccc(Br)cc1 ZINC000322506077 565608952 /nfs/dbraw/zinc/60/89/52/565608952.db2.gz PENKICWHCDTADX-KRWDZBQOSA-N -1 3 376.250 3.339 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000174039019 565609147 /nfs/dbraw/zinc/60/91/47/565609147.db2.gz OSZKZRBKGZDZBY-VIFPVBQESA-N -1 3 377.388 3.425 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1nc(C2CCCCC2)no1 ZINC000174066471 565610627 /nfs/dbraw/zinc/61/06/27/565610627.db2.gz SGDNKFFTEALWAK-NSHDSACASA-N -1 3 384.889 3.346 20 0 GGADHM C[C@@](CO)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000323037096 565611289 /nfs/dbraw/zinc/61/12/89/565611289.db2.gz AWHZEPWXNFBVBD-HNNXBMFYSA-N -1 3 378.252 3.319 20 0 GGADHM O=c1[n-]c(=O)n(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl ZINC000174125977 565615957 /nfs/dbraw/zinc/61/59/57/565615957.db2.gz FPARHWVZGWIPKM-UHFFFAOYSA-N -1 3 387.770 3.381 20 0 GGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000324289159 565616318 /nfs/dbraw/zinc/61/63/18/565616318.db2.gz MTWRMYDRPTYBLF-KRWDZBQOSA-N -1 3 384.270 3.153 20 0 GGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000324289160 565616645 /nfs/dbraw/zinc/61/66/45/565616645.db2.gz MTWRMYDRPTYBLF-QGZVFWFLSA-N -1 3 384.270 3.153 20 0 GGADHM C[C@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303009 565617926 /nfs/dbraw/zinc/61/79/26/565617926.db2.gz WOBUJCRMWUHCKB-XJKSGUPXSA-N -1 3 397.313 3.346 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000174217554 565621461 /nfs/dbraw/zinc/62/14/61/565621461.db2.gz DBXWHYCWZGOHJN-UHFFFAOYSA-N -1 3 389.253 3.262 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000326140034 565624087 /nfs/dbraw/zinc/62/40/87/565624087.db2.gz SLFRTEGWIYNPSM-VHSXEESVSA-N -1 3 385.429 3.243 20 0 GGADHM CCOc1c(Cl)cccc1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000191718396 565624106 /nfs/dbraw/zinc/62/41/06/565624106.db2.gz KNLUDSIJTGNYFX-UHFFFAOYSA-N -1 3 382.869 3.291 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)c3sccc3S(=O)(=O)[N-]Cc3cccs3)C[C@@H]21 ZINC000174265484 565625931 /nfs/dbraw/zinc/62/59/31/565625931.db2.gz KOGWPKFVEGZBJU-BETUJISGSA-N -1 3 396.559 3.016 20 0 GGADHM Cc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1Br ZINC000191732321 565626875 /nfs/dbraw/zinc/62/68/75/565626875.db2.gz LFECVOSICUVMHE-UHFFFAOYSA-N -1 3 392.297 3.377 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1C ZINC000327243960 565629433 /nfs/dbraw/zinc/62/94/33/565629433.db2.gz WUDCBWUFIBFVIW-UHFFFAOYSA-N -1 3 386.857 3.271 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000174325940 565629797 /nfs/dbraw/zinc/62/97/97/565629797.db2.gz JUZMAGMLMKULST-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(OC)cc1 ZINC000327523089 565630598 /nfs/dbraw/zinc/63/05/98/565630598.db2.gz AEFXVXFRVQGVFE-AWEZNQCLSA-N -1 3 383.491 3.281 20 0 GGADHM CC(C)n1cnc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)c1 ZINC000409669762 565631101 /nfs/dbraw/zinc/63/11/01/565631101.db2.gz BWFHCFYMUMTJAD-UHFFFAOYSA-N -1 3 393.220 3.403 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1ccco1 ZINC000279753765 565631561 /nfs/dbraw/zinc/63/15/61/565631561.db2.gz LRLQETXZEWZIEP-LBPRGKRZSA-N -1 3 389.857 3.006 20 0 GGADHM CCS(=O)(=O)c1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)s1 ZINC000279753306 565631834 /nfs/dbraw/zinc/63/18/34/565631834.db2.gz ARZOHCHEGXMUGQ-UHFFFAOYSA-N -1 3 393.408 3.196 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000327553231 565632124 /nfs/dbraw/zinc/63/21/24/565632124.db2.gz VEPPHDCEVFCDPM-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000174404558 565633098 /nfs/dbraw/zinc/63/30/98/565633098.db2.gz BWXYFNXRBDBVPH-JTQLQIEISA-N -1 3 392.424 3.158 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000327902382 565633134 /nfs/dbraw/zinc/63/31/34/565633134.db2.gz XOZKYLURNFPJNG-UHFFFAOYSA-N -1 3 393.408 3.340 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1Br ZINC000191806520 565633984 /nfs/dbraw/zinc/63/39/84/565633984.db2.gz JABIBQGYMWZLDI-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1Br ZINC000191806467 565634013 /nfs/dbraw/zinc/63/40/13/565634013.db2.gz ZCXRWTBETRISDZ-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM Fc1ccc(Br)c2nccc(NCc3nnc(C(F)(F)F)[n-]3)c12 ZINC000409726649 565637630 /nfs/dbraw/zinc/63/76/30/565637630.db2.gz APFXEQIGUJZPOF-UHFFFAOYSA-N -1 3 390.138 3.307 20 0 GGADHM Fc1ccc(Br)c2nccc(NCc3n[n-]c(C(F)(F)F)n3)c12 ZINC000409726649 565637632 /nfs/dbraw/zinc/63/76/32/565637632.db2.gz APFXEQIGUJZPOF-UHFFFAOYSA-N -1 3 390.138 3.307 20 0 GGADHM Fc1ccc(Br)c2nccc(NCc3nc(C(F)(F)F)n[n-]3)c12 ZINC000409726649 565637637 /nfs/dbraw/zinc/63/76/37/565637637.db2.gz APFXEQIGUJZPOF-UHFFFAOYSA-N -1 3 390.138 3.307 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1nnc2ccccn21 ZINC000191862342 565637748 /nfs/dbraw/zinc/63/77/48/565637748.db2.gz WGSFALOWOZSMBM-MRVPVSSYSA-N -1 3 389.239 3.215 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)sc1Br ZINC000328678819 565638458 /nfs/dbraw/zinc/63/84/58/565638458.db2.gz SZNLEKAIDMSYGR-NSHDSACASA-N -1 3 394.356 3.447 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)sc1Br ZINC000328678818 565638626 /nfs/dbraw/zinc/63/86/26/565638626.db2.gz SZNLEKAIDMSYGR-LLVKDONJSA-N -1 3 394.356 3.447 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(Br)c1F ZINC000191904574 565641389 /nfs/dbraw/zinc/64/13/89/565641389.db2.gz GOTGZSOFAZQCRH-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(CN3CCCC3=O)cc2)sc1Cl ZINC000191905747 565641600 /nfs/dbraw/zinc/64/16/00/565641600.db2.gz KDUTZXBXALUBIJ-UHFFFAOYSA-N -1 3 398.937 3.311 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(F)cc1C(F)(F)F ZINC000328782350 565641970 /nfs/dbraw/zinc/64/19/70/565641970.db2.gz JPRYZRZVHWWGIM-CQSZACIVSA-N -1 3 381.391 3.472 20 0 GGADHM O=C(Nc1nnc(SCCO)[n-]1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409814859 565642315 /nfs/dbraw/zinc/64/23/15/565642315.db2.gz YXJBZGMYUGSYMO-UHFFFAOYSA-N -1 3 398.275 3.239 20 0 GGADHM O=C(Nc1nc(SCCO)n[n-]1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409814859 565642318 /nfs/dbraw/zinc/64/23/18/565642318.db2.gz YXJBZGMYUGSYMO-UHFFFAOYSA-N -1 3 398.275 3.239 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409814859 565642323 /nfs/dbraw/zinc/64/23/23/565642323.db2.gz YXJBZGMYUGSYMO-UHFFFAOYSA-N -1 3 398.275 3.239 20 0 GGADHM COc1ccc(F)c(C(=O)NCc2ccc([O-])c(Br)c2)c1OC ZINC000191923992 565643013 /nfs/dbraw/zinc/64/30/13/565643013.db2.gz NGZKMYJXSHILFS-UHFFFAOYSA-N -1 3 384.201 3.241 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000191924856 565643957 /nfs/dbraw/zinc/64/39/57/565643957.db2.gz XKFRXXRBODFXJH-UHFFFAOYSA-N -1 3 382.283 3.432 20 0 GGADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccncc2Br)[n-]1 ZINC000191962642 565644786 /nfs/dbraw/zinc/64/47/86/565644786.db2.gz FRFFDRSLFSMVIG-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM CCCCc1nc(NC(=O)c2ccncc2Br)c(C(=O)OCC)[n-]1 ZINC000191962642 565644793 /nfs/dbraw/zinc/64/47/93/565644793.db2.gz FRFFDRSLFSMVIG-UHFFFAOYSA-N -1 3 395.257 3.339 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H]3CCC[C@H](C(F)(F)F)C3)cnc2c1Cl ZINC000328880536 565645559 /nfs/dbraw/zinc/64/55/59/565645559.db2.gz KRQOVDMFEUTGAL-UWVGGRQHSA-N -1 3 396.822 3.091 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000174608012 565646743 /nfs/dbraw/zinc/64/67/43/565646743.db2.gz VDLVMFPZGSXWCR-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2Br)CC1 ZINC000174609914 565647248 /nfs/dbraw/zinc/64/72/48/565647248.db2.gz LVJZOJIMRNRQPH-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM C[C@@H]1C[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1=O ZINC000328958768 565648675 /nfs/dbraw/zinc/64/86/75/565648675.db2.gz OPHMQOLRFJOARE-NXEZZACHSA-N -1 3 394.244 3.344 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000174668767 565651417 /nfs/dbraw/zinc/65/14/17/565651417.db2.gz OPLQNULGSDBUNS-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000174698332 565652435 /nfs/dbraw/zinc/65/24/35/565652435.db2.gz GLPUADUFWZTCJW-UHFFFAOYSA-N -1 3 380.853 3.175 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(Cc1cccs1)C1CC1 ZINC000174724518 565653173 /nfs/dbraw/zinc/65/31/73/565653173.db2.gz XZJSAFSATWARMB-UHFFFAOYSA-N -1 3 378.475 3.116 20 0 GGADHM O=C([N-]c1cnns1)C(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC000192063882 565653936 /nfs/dbraw/zinc/65/39/36/565653936.db2.gz JZVJQSPOBWJOLM-UHFFFAOYSA-N -1 3 378.885 3.148 20 0 GGADHM O=C([N-]c1cnns1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000192064206 565654218 /nfs/dbraw/zinc/65/42/18/565654218.db2.gz HEDGKZWWCZAIJQ-UHFFFAOYSA-N -1 3 385.276 3.022 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000174728483 565654555 /nfs/dbraw/zinc/65/45/55/565654555.db2.gz ZTFSXMQLDOUBEL-SNVBAGLBSA-N -1 3 380.853 3.346 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174733768 565654843 /nfs/dbraw/zinc/65/48/43/565654843.db2.gz PTDGJOPTHBNNJR-UHFFFAOYSA-N -1 3 380.853 3.175 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1ccc(Cl)c(Br)c1 ZINC000192214575 565670527 /nfs/dbraw/zinc/67/05/27/565670527.db2.gz OOXLMTVSJKQVCP-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000192226740 565671726 /nfs/dbraw/zinc/67/17/26/565671726.db2.gz FLCXWUKIKCGAIN-VIFPVBQESA-N -1 3 382.707 3.338 20 0 GGADHM Cc1cnc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)cn1 ZINC000410031359 565659181 /nfs/dbraw/zinc/65/91/81/565659181.db2.gz UQLMCOUTLQBGGH-UHFFFAOYSA-N -1 3 394.229 3.457 20 0 GGADHM CO[C@@]1(C)C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000174824475 565661598 /nfs/dbraw/zinc/66/15/98/565661598.db2.gz IKGYKZWVPZJPLV-YJBOKZPZSA-N -1 3 393.281 3.224 20 0 GGADHM O=C(CCNC(=O)c1ccc(Br)cc1)Nc1cc(F)ccc1[O-] ZINC000174881255 565665165 /nfs/dbraw/zinc/66/51/65/565665165.db2.gz AVEKUBPCBCLEJR-UHFFFAOYSA-N -1 3 381.201 3.052 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000174910776 565666510 /nfs/dbraw/zinc/66/65/10/565666510.db2.gz NMHMOEFTZUYHJK-JTQLQIEISA-N -1 3 386.593 3.308 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)N1CCCN(Cc2ccccc2)CC1 ZINC000174925252 565667125 /nfs/dbraw/zinc/66/71/25/565667125.db2.gz XVUMULJKQUBLMJ-UHFFFAOYSA-N -1 3 380.564 3.027 20 0 GGADHM CC[C@@H]1C[C@]1([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1cccc(C)c1 ZINC000410166102 565667950 /nfs/dbraw/zinc/66/79/50/565667950.db2.gz PKWRQYFXWOPFRO-FZKQIMNGSA-N -1 3 379.503 3.447 20 0 GGADHM COCCOc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000192192729 565668329 /nfs/dbraw/zinc/66/83/29/565668329.db2.gz QSTIDITZCDCNAS-UHFFFAOYSA-N -1 3 380.238 3.361 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000174955257 565669835 /nfs/dbraw/zinc/66/98/35/565669835.db2.gz RSLPMRUIMCOWRS-UHFFFAOYSA-N -1 3 394.241 3.381 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192207705 565670671 /nfs/dbraw/zinc/67/06/71/565670671.db2.gz GQUJLXDZWJHZSK-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CCC(C)(C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000192226617 565671143 /nfs/dbraw/zinc/67/11/43/565671143.db2.gz DTUUNPDBPQGBML-UHFFFAOYSA-N -1 3 386.564 3.454 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)cc1F ZINC000329575104 565671586 /nfs/dbraw/zinc/67/15/86/565671586.db2.gz AYKOXAHJXGLVLD-MRXNPFEDSA-N -1 3 389.514 3.011 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174982017 565671759 /nfs/dbraw/zinc/67/17/59/565671759.db2.gz YXIJHFJGFCTBBB-CYBMUJFWSA-N -1 3 380.564 3.074 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192229720 565672529 /nfs/dbraw/zinc/67/25/29/565672529.db2.gz UHRMAUDHPNOULX-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000192229919 565672909 /nfs/dbraw/zinc/67/29/09/565672909.db2.gz FDDQAIBJXFCWAA-HZMBPMFUSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000192229924 565673157 /nfs/dbraw/zinc/67/31/57/565673157.db2.gz FDDQAIBJXFCWAA-QMTHXVAHSA-N -1 3 394.718 3.338 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000410267774 565674516 /nfs/dbraw/zinc/67/45/16/565674516.db2.gz MZRGICFBQLRKHQ-CYBMUJFWSA-N -1 3 399.191 3.366 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000410267777 565674758 /nfs/dbraw/zinc/67/47/58/565674758.db2.gz MZRGICFBQLRKHQ-ZDUSSCGKSA-N -1 3 399.191 3.366 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)N1CCCN(CC2CCCCC2)CC1 ZINC000175043873 565676357 /nfs/dbraw/zinc/67/63/57/565676357.db2.gz PPHLHWSZIIYCAM-UHFFFAOYSA-N -1 3 386.612 3.407 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(Br)c1 ZINC000175077098 565677739 /nfs/dbraw/zinc/67/77/39/565677739.db2.gz OGIKNBUNIVDQLS-UHFFFAOYSA-N -1 3 378.270 3.068 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccc(C)n2)s1 ZINC000280522622 565677926 /nfs/dbraw/zinc/67/79/26/565677926.db2.gz QWFVDCKQDDVUDC-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CCC[C@H]1CCc2nc(NC(=O)c3c(C)[n-]c(=O)nc3SC)sc2C1 ZINC000175084630 565678515 /nfs/dbraw/zinc/67/85/15/565678515.db2.gz QTFUZXODDHQTDX-JTQLQIEISA-N -1 3 378.523 3.414 20 0 GGADHM O=S(=O)([N-]C1CCN(CCOC2CCCCCC2)CC1)c1cccs1 ZINC000329756342 565679496 /nfs/dbraw/zinc/67/94/96/565679496.db2.gz MEAIDCCCZXVSLI-UHFFFAOYSA-N -1 3 386.583 3.230 20 0 GGADHM O=S(=O)([N-][C@@H]1c2ccccc2CC12CCOCC2)c1cncc(Cl)c1 ZINC000329790897 565680487 /nfs/dbraw/zinc/68/04/87/565680487.db2.gz UERAICDMXRSCAS-QGZVFWFLSA-N -1 3 378.881 3.108 20 0 GGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410377886 565680517 /nfs/dbraw/zinc/68/05/17/565680517.db2.gz AEJVKSMMHXHFMT-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H]3CCCc4sccc43)cnc2c1Cl ZINC000329797999 565680573 /nfs/dbraw/zinc/68/05/73/565680573.db2.gz GDQPNPAKDGWPMW-LBPRGKRZSA-N -1 3 382.898 3.109 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c1 ZINC000410383282 565680952 /nfs/dbraw/zinc/68/09/52/565680952.db2.gz OQBSQBRZLQGDGM-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2ccc(F)cc2)c1 ZINC000175183010 565683812 /nfs/dbraw/zinc/68/38/12/565683812.db2.gz XQZGGTXGHCJPMC-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Cl)ccc1OCC1CCC1 ZINC000329902067 565684970 /nfs/dbraw/zinc/68/49/70/565684970.db2.gz PCUCNOKDSHDPLH-BFYDXBDKSA-N -1 3 385.913 3.365 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2c(C)noc2C)c1 ZINC000280640974 565685588 /nfs/dbraw/zinc/68/55/88/565685588.db2.gz DHMFNWRMKGPKOS-JTQLQIEISA-N -1 3 384.885 3.447 20 0 GGADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410423061 565685449 /nfs/dbraw/zinc/68/54/49/565685449.db2.gz XERONDLLAWDVEQ-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000175276392 565690612 /nfs/dbraw/zinc/69/06/12/565690612.db2.gz JMJSXACFXSUDNR-GXTWGEPZSA-N -1 3 394.921 3.390 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1nc(C)sc1Br ZINC000410628375 565691136 /nfs/dbraw/zinc/69/11/36/565691136.db2.gz XTGYPDOMLDJPPM-UHFFFAOYSA-N -1 3 388.243 3.193 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H](SC)C2)c1 ZINC000175292714 565691397 /nfs/dbraw/zinc/69/13/97/565691397.db2.gz FGRNLFQVFBDVDL-JQWIXIFHSA-N -1 3 394.356 3.410 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(OC)ccc1Br)C(C)C ZINC000175320199 565693987 /nfs/dbraw/zinc/69/39/87/565693987.db2.gz HZZHXZQVIAGMQR-CQSZACIVSA-N -1 3 394.331 3.187 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(OC)ccc1Br)C(C)C ZINC000175320182 565694028 /nfs/dbraw/zinc/69/40/28/565694028.db2.gz HZZHXZQVIAGMQR-AWEZNQCLSA-N -1 3 394.331 3.187 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(C)o1 ZINC000175347086 565694934 /nfs/dbraw/zinc/69/49/34/565694934.db2.gz XMSABZSCRLKWHI-AWEZNQCLSA-N -1 3 377.384 3.414 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(C)o1 ZINC000175347210 565695219 /nfs/dbraw/zinc/69/52/19/565695219.db2.gz UJFRVZJIKYCLLD-AWEZNQCLSA-N -1 3 388.283 3.325 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(C)o1 ZINC000175347228 565695386 /nfs/dbraw/zinc/69/53/86/565695386.db2.gz UJFRVZJIKYCLLD-CQSZACIVSA-N -1 3 388.283 3.325 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2c(F)cccc2Br)c1 ZINC000175369814 565695826 /nfs/dbraw/zinc/69/58/26/565695826.db2.gz LMDIGIXAIRPJEG-UHFFFAOYSA-N -1 3 390.205 3.383 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccoc1 ZINC000175380185 565695890 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C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000330630642 565715494 /nfs/dbraw/zinc/71/54/94/565715494.db2.gz DGIUJLYFTUPOGQ-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000330629472 565715781 /nfs/dbraw/zinc/71/57/81/565715781.db2.gz NAGKGIYBWPSHGC-IINYFYTJSA-N -1 3 380.279 3.070 20 0 GGADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000330629474 565715995 /nfs/dbraw/zinc/71/59/95/565715995.db2.gz NAGKGIYBWPSHGC-YGRLFVJLSA-N -1 3 380.279 3.070 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)NC1CCCCC1 ZINC000330723759 565720384 /nfs/dbraw/zinc/72/03/84/565720384.db2.gz GKGPZJFZWHQXRJ-UHFFFAOYSA-N -1 3 398.834 3.086 20 0 GGADHM COc1cc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1SC ZINC000281276296 565720961 /nfs/dbraw/zinc/72/09/61/565720961.db2.gz ODOGHEKISYQJBY-UHFFFAOYSA-N -1 3 376.444 3.308 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1Cl ZINC000192979983 565722029 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CCCOc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1Cl ZINC000175824737 565726348 /nfs/dbraw/zinc/72/63/48/565726348.db2.gz ZOYCBAWUJKHSOU-UHFFFAOYSA-N -1 3 386.857 3.191 20 0 GGADHM CCOC(CC[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl)OCC ZINC000281387601 565727280 /nfs/dbraw/zinc/72/72/80/565727280.db2.gz GCLNVMHGYXCWRP-UHFFFAOYSA-N -1 3 377.890 3.000 20 0 GGADHM CC(C)COc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1 ZINC000330876742 565727542 /nfs/dbraw/zinc/72/75/42/565727542.db2.gz VNXCJMFZDFMRDM-UHFFFAOYSA-N -1 3 381.416 3.111 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(Cl)c1 ZINC000175854537 565728268 /nfs/dbraw/zinc/72/82/68/565728268.db2.gz AHTBAASNCQEJML-CYBMUJFWSA-N -1 3 391.251 3.028 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)s1 ZINC000193060407 565729400 /nfs/dbraw/zinc/72/94/00/565729400.db2.gz AOWGJKQPFXJKSQ-UHFFFAOYSA-N -1 3 394.305 3.285 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCOCC1 ZINC000281412593 565729563 /nfs/dbraw/zinc/72/95/63/565729563.db2.gz 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ZINC000193265097 565741295 /nfs/dbraw/zinc/74/12/95/565741295.db2.gz PKANESNEIDDXBN-RMKNXTFCSA-N -1 3 381.201 3.409 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1Cl ZINC000281673338 565742065 /nfs/dbraw/zinc/74/20/65/565742065.db2.gz OEBNFIPVDYDMIU-SMDDNHRTSA-N -1 3 382.334 3.326 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2ccccc2Br)c(=O)[n-]1 ZINC000193269994 565742495 /nfs/dbraw/zinc/74/24/95/565742495.db2.gz CZAOZXKPGVPISH-LBPRGKRZSA-N -1 3 392.297 3.301 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000193271211 565742579 /nfs/dbraw/zinc/74/25/79/565742579.db2.gz ZWDDELMZUYGBHR-KBPBESRZSA-N -1 3 387.571 3.060 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000193271235 565742591 /nfs/dbraw/zinc/74/25/91/565742591.db2.gz ZWDDELMZUYGBHR-UONOGXRCSA-N -1 3 387.571 3.060 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000193318481 565744435 /nfs/dbraw/zinc/74/44/35/565744435.db2.gz HTHZZVQZMZUAJJ-GFCCVEGCSA-N -1 3 382.869 3.369 20 0 GGADHM CC1(c2ccc(Br)cc2)CCN(c2nc3nncc-3c(O)[n-]2)CC1 ZINC000281726821 565744477 /nfs/dbraw/zinc/74/44/77/565744477.db2.gz VVKBSPRHCLVVNL-UHFFFAOYSA-N -1 3 388.269 3.379 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000193317941 565744585 /nfs/dbraw/zinc/74/45/85/565744585.db2.gz NOVDGMBMUJPYKV-LBPRGKRZSA-N -1 3 388.917 3.179 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000331190420 565744569 /nfs/dbraw/zinc/74/45/69/565744569.db2.gz WKLXLGZBUZHTTA-VXGBXAGGSA-N -1 3 377.503 3.186 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000331190414 565744903 /nfs/dbraw/zinc/74/49/03/565744903.db2.gz WKLXLGZBUZHTTA-NEPJUHHUSA-N -1 3 377.503 3.186 20 0 GGADHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331218527 565747162 /nfs/dbraw/zinc/74/71/62/565747162.db2.gz RYZUBVGJMFOMAT-SSDOTTSWSA-N -1 3 398.735 3.245 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCOc2ccc(Cl)cc2)ccc1F ZINC000193350452 565747448 /nfs/dbraw/zinc/74/74/48/565747448.db2.gz IHVFJYRDEYDQDX-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(F)cc1Br ZINC000176098362 565748692 /nfs/dbraw/zinc/74/86/92/565748692.db2.gz LRHYFRFFKOXYTR-UHFFFAOYSA-N -1 3 396.260 3.207 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1 ZINC000331270828 565750562 /nfs/dbraw/zinc/75/05/62/565750562.db2.gz KYEZGBIXIPANAR-NEPJUHHUSA-N -1 3 377.553 3.186 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)no1 ZINC000331277672 565751020 /nfs/dbraw/zinc/75/10/20/565751020.db2.gz GJQDAFGLSLYITE-UHFFFAOYSA-N -1 3 394.678 3.008 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000176125106 565751142 /nfs/dbraw/zinc/75/11/42/565751142.db2.gz XEGJNGYVXWVZHQ-UHFFFAOYSA-N -1 3 394.591 3.416 20 0 GGADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)s1 ZINC000176130058 565752490 /nfs/dbraw/zinc/75/24/90/565752490.db2.gz LBXRGQYITPGLNP-LBPRGKRZSA-N -1 3 378.881 3.195 20 0 GGADHM C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000176132168 565752686 /nfs/dbraw/zinc/75/26/86/565752686.db2.gz ZWVFMWRCPYWDMQ-LBPRGKRZSA-N -1 3 378.881 3.195 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000331292924 565752757 /nfs/dbraw/zinc/75/27/57/565752757.db2.gz XFMJREDPTXEADL-RYUDHWBXSA-N -1 3 377.553 3.186 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000331293224 565752890 /nfs/dbraw/zinc/75/28/90/565752890.db2.gz QOYMMWDAMSWTSG-NXEZZACHSA-N -1 3 385.429 3.182 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000331292923 565753225 /nfs/dbraw/zinc/75/32/25/565753225.db2.gz XFMJREDPTXEADL-NWDGAFQWSA-N -1 3 377.553 3.186 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000281886707 565753411 /nfs/dbraw/zinc/75/34/11/565753411.db2.gz DLHSEQOSDKBKKY-UHFFFAOYSA-N -1 3 396.822 3.184 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176166771 565754688 /nfs/dbraw/zinc/75/46/88/565754688.db2.gz JODBBSKIHPJHMF-UHFFFAOYSA-N -1 3 391.196 3.065 20 0 GGADHM Oc1[n-]c(N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)nc2nncc1-2 ZINC000281946450 565756317 /nfs/dbraw/zinc/75/63/17/565756317.db2.gz JHTFDEJYGAHWPB-KYZUINATSA-N -1 3 378.205 3.318 20 0 GGADHM O=C(NCCC(F)(F)F)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000331394894 565758634 /nfs/dbraw/zinc/75/86/34/565758634.db2.gz BTDVIPCCWOAOJI-UHFFFAOYSA-N -1 3 398.472 3.431 20 0 GGADHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000331526893 565764133 /nfs/dbraw/zinc/76/41/33/565764133.db2.gz OLLHQZMSFWUSMM-UHFFFAOYSA-N -1 3 379.309 3.064 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000176318063 565764346 /nfs/dbraw/zinc/76/43/46/565764346.db2.gz RYIKGSAHEYGLQQ-CYBMUJFWSA-N -1 3 380.564 3.074 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000176421968 565770182 /nfs/dbraw/zinc/77/01/82/565770182.db2.gz XDDZYTJJRXPJPS-CYBMUJFWSA-N -1 3 394.591 3.416 20 0 GGADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000193717674 565771253 /nfs/dbraw/zinc/77/12/53/565771253.db2.gz OTFDXHHWBKYEKM-UHFFFAOYSA-N -1 3 394.758 3.341 20 0 GGADHM CC(C)C(=O)Nc1nc(CC(=O)Nc2cc(Br)ccc2[O-])cs1 ZINC000176433066 565771660 /nfs/dbraw/zinc/77/16/60/565771660.db2.gz JTIYMFHRWPLFKD-UHFFFAOYSA-N -1 3 398.282 3.387 20 0 GGADHM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176438083 565772014 /nfs/dbraw/zinc/77/20/14/565772014.db2.gz ODRKOSVKCGQXOR-CQSZACIVSA-N -1 3 381.226 3.141 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccoc1Br ZINC000193730933 565772362 /nfs/dbraw/zinc/77/23/62/565772362.db2.gz YWDHCBUKNBCWAO-UHFFFAOYSA-N -1 3 375.016 3.440 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000176439031 565772564 /nfs/dbraw/zinc/77/25/64/565772564.db2.gz APDPUWHTMLASIS-LLVKDONJSA-N -1 3 383.286 3.378 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2ccco2)[nH]c1=O ZINC000176439180 565773092 /nfs/dbraw/zinc/77/30/92/565773092.db2.gz JFNBYANPWONLQX-UHFFFAOYSA-N -1 3 375.178 3.355 20 0 GGADHM CCn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cn1 ZINC000331656653 565775016 /nfs/dbraw/zinc/77/50/16/565775016.db2.gz RSKAISVFVFZDEI-GXTWGEPZSA-N -1 3 389.930 3.125 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCC12CCOCC2 ZINC000282358914 565775745 /nfs/dbraw/zinc/77/57/45/565775745.db2.gz BBNFUKLYMLAFGB-OAHLLOKOSA-N -1 3 383.286 3.303 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(-c3csc(C)n3)s2)s1 ZINC000601365824 565777803 /nfs/dbraw/zinc/77/78/03/565777803.db2.gz XZRQVMWXWVPYSG-UHFFFAOYSA-N -1 3 394.503 3.389 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCc4nn(C)cc43)s2)cs1 ZINC000282434271 565778835 /nfs/dbraw/zinc/77/88/35/565778835.db2.gz FTCSBKKUEBKYTL-ZDUSSCGKSA-N -1 3 394.547 3.269 20 0 GGADHM O=C(CC1(O)CCCC1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000331745252 565781990 /nfs/dbraw/zinc/78/19/90/565781990.db2.gz YKAKTEZTYICMJW-UHFFFAOYSA-N -1 3 383.221 3.007 20 0 GGADHM CCCOc1ccc(C(=O)N=c2[nH][n-]cc2Br)c(OCCC)c1 ZINC000412341612 565782676 /nfs/dbraw/zinc/78/26/76/565782676.db2.gz SLRMMHGETVQCAC-UHFFFAOYSA-N -1 3 382.258 3.424 20 0 GGADHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000331818637 565786058 /nfs/dbraw/zinc/78/60/58/565786058.db2.gz MIBOSJNVOLABFC-AWEZNQCLSA-N -1 3 382.917 3.431 20 0 GGADHM C[C@H](C(=O)[N-]CC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000193982147 565786814 /nfs/dbraw/zinc/78/68/14/565786814.db2.gz KLTOELOEVATBAM-ZCFIWIBFSA-N -1 3 397.724 3.200 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)cs1 ZINC000412414341 565786777 /nfs/dbraw/zinc/78/67/77/565786777.db2.gz BSENPPDTDRENTA-ZDUSSCGKSA-N -1 3 381.299 3.132 20 0 GGADHM C[C@@H](C(=O)[N-]CC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000193982130 565787232 /nfs/dbraw/zinc/78/72/32/565787232.db2.gz KLTOELOEVATBAM-LURJTMIESA-N -1 3 397.724 3.200 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000193984716 565788173 /nfs/dbraw/zinc/78/81/73/565788173.db2.gz VRVSEROXGNCSNW-MRXNPFEDSA-N -1 3 385.844 3.203 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc(Br)cc2c1OCC2 ZINC000331851037 565788863 /nfs/dbraw/zinc/78/88/63/565788863.db2.gz WFRQWDYBASJQIW-NSHDSACASA-N -1 3 396.253 3.240 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cc(Br)cc2c1OCC2 ZINC000331851030 565788874 /nfs/dbraw/zinc/78/88/74/565788874.db2.gz WFRQWDYBASJQIW-LLVKDONJSA-N -1 3 396.253 3.240 20 0 GGADHM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCC1 ZINC000194007993 565789187 /nfs/dbraw/zinc/78/91/87/565789187.db2.gz MMUSGIFQIOJYQY-UHFFFAOYSA-N -1 3 380.894 3.002 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000176619488 565789390 /nfs/dbraw/zinc/78/93/90/565789390.db2.gz HDQVTNPMDWVZIV-UHFFFAOYSA-N -1 3 388.898 3.347 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(SC)CCC2)c1 ZINC000194008094 565789740 /nfs/dbraw/zinc/78/97/40/565789740.db2.gz KRAYZDLMZJTPGX-UHFFFAOYSA-N -1 3 380.329 3.022 20 0 GGADHM Cc1ncsc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176629000 565789904 /nfs/dbraw/zinc/78/99/04/565789904.db2.gz RSCWUXBHKGTRGO-UHFFFAOYSA-N -1 3 379.869 3.301 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c1 ZINC000282623249 565789933 /nfs/dbraw/zinc/78/99/33/565789933.db2.gz MRCLQCQNKKKOPU-HNNXBMFYSA-N -1 3 381.885 3.022 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Br)s1 ZINC000282643034 565790839 /nfs/dbraw/zinc/79/08/39/565790839.db2.gz OVAFWSUKMYALTK-ZCFIWIBFSA-N -1 3 396.719 3.302 20 0 GGADHM COC(=O)c1cc([N-]C(=O)c2cc(C3CC3)no2)cc(Br)c1F ZINC000282671989 565791662 /nfs/dbraw/zinc/79/16/62/565791662.db2.gz KPCNUIWJZQNZAM-UHFFFAOYSA-N -1 3 383.173 3.493 20 0 GGADHM CO[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000412494784 565793614 /nfs/dbraw/zinc/79/36/14/565793614.db2.gz DEWPVNXUDVDPRQ-QAPCUYQASA-N -1 3 376.250 3.126 20 0 GGADHM CC(C)C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000194082538 565793800 /nfs/dbraw/zinc/79/38/00/565793800.db2.gz VRNJGYLTLTUAQV-MRXNPFEDSA-N -1 3 380.535 3.320 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)cc21 ZINC000176727589 565798838 /nfs/dbraw/zinc/79/88/38/565798838.db2.gz NBRQVOIPEUTLEY-UHFFFAOYSA-N -1 3 386.807 3.328 20 0 GGADHM CCC[C@]1(CO)CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332032731 565800454 /nfs/dbraw/zinc/80/04/54/565800454.db2.gz VMRYRSWWQAOZLO-GOSISDBHSA-N -1 3 393.281 3.058 20 0 GGADHM CCC[C@]1(CO)CCCN1C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000332032731 565800460 /nfs/dbraw/zinc/80/04/60/565800460.db2.gz VMRYRSWWQAOZLO-GOSISDBHSA-N -1 3 393.281 3.058 20 0 GGADHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000282857670 565800637 /nfs/dbraw/zinc/80/06/37/565800637.db2.gz YDASHFSLJHOATK-ZDUSSCGKSA-N -1 3 378.256 3.222 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)C2(C)CC2)cc1 ZINC000176786085 565802648 /nfs/dbraw/zinc/80/26/48/565802648.db2.gz LCHPWLJKXAFRGQ-AWEZNQCLSA-N -1 3 388.555 3.038 20 0 GGADHM CCOc1cc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cc(Cl)c1[O-] ZINC000332074277 565803831 /nfs/dbraw/zinc/80/38/31/565803831.db2.gz FASMGZHNOZBFOC-ZBFHGGJFSA-N -1 3 384.929 3.096 20 0 GGADHM C[C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)c2c([O-])cccc21 ZINC000332106217 565806402 /nfs/dbraw/zinc/80/64/02/565806402.db2.gz DJZCVYCRSUTBBQ-GFCCVEGCSA-N -1 3 391.265 3.247 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000332122176 565807370 /nfs/dbraw/zinc/80/73/70/565807370.db2.gz HUQLUAQMZBLQRE-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)s1 ZINC000176836241 565807616 /nfs/dbraw/zinc/80/76/16/565807616.db2.gz SEROBMMTPHUGIT-UHFFFAOYSA-N -1 3 380.539 3.014 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)N1CCCCC1 ZINC000176837921 565807681 /nfs/dbraw/zinc/80/76/81/565807681.db2.gz MNAWCYCFUHWQTJ-UHFFFAOYSA-N -1 3 386.926 3.236 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2sccc2Cl)CC1)c1cccs1 ZINC000194319305 565808026 /nfs/dbraw/zinc/80/80/26/565808026.db2.gz KYVKNDYAKOYCLR-UHFFFAOYSA-N -1 3 376.956 3.406 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc(Cl)cs2)CC1)c1cccs1 ZINC000194319321 565808183 /nfs/dbraw/zinc/80/81/83/565808183.db2.gz GXHQMWRUMDTCEU-UHFFFAOYSA-N -1 3 376.956 3.406 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCOC1 ZINC000332136713 565808903 /nfs/dbraw/zinc/80/89/03/565808903.db2.gz KOKGOFVJKAUMSC-DTWKUNHWSA-N -1 3 399.672 3.099 20 0 GGADHM C[C@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@@H]1CCOC1 ZINC000332136713 565808907 /nfs/dbraw/zinc/80/89/07/565808907.db2.gz KOKGOFVJKAUMSC-DTWKUNHWSA-N -1 3 399.672 3.099 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000332138311 565809428 /nfs/dbraw/zinc/80/94/28/565809428.db2.gz LLDNKPUVDUGJCB-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)cs1 ZINC000176880593 565811210 /nfs/dbraw/zinc/81/12/10/565811210.db2.gz IJRZOXJBMMZIGM-UHFFFAOYSA-N -1 3 395.369 3.359 20 0 GGADHM COC[C@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194771319 565836397 /nfs/dbraw/zinc/83/63/97/565836397.db2.gz NKGZXEMQARGCME-MRVPVSSYSA-N -1 3 390.221 3.029 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccc(Cl)s1 ZINC000332167105 565811868 /nfs/dbraw/zinc/81/18/68/565811868.db2.gz PPBJULYODKESIW-MRVPVSSYSA-N -1 3 399.847 3.158 20 0 GGADHM CN(C[C@H]1CCCO1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332190907 565814327 /nfs/dbraw/zinc/81/43/27/565814327.db2.gz WWGTXCSZPNOWQS-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM CN(C[C@H]1CCCO1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332190907 565814331 /nfs/dbraw/zinc/81/43/31/565814331.db2.gz WWGTXCSZPNOWQS-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CSC)cc1Cl ZINC000176930356 565815088 /nfs/dbraw/zinc/81/50/88/565815088.db2.gz CDDPCKWWIGGTPE-SSDOTTSWSA-N -1 3 388.736 3.141 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC=CCC2)cc1Cl ZINC000176930432 565815431 /nfs/dbraw/zinc/81/54/31/565815431.db2.gz WIJRVWPHUPLXRX-VIFPVBQESA-N -1 3 380.691 3.498 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cccc(CCC(F)(F)F)c1 ZINC000176948886 565817489 /nfs/dbraw/zinc/81/74/89/565817489.db2.gz VOTAMYDBJDMBQV-UHFFFAOYSA-N -1 3 392.424 3.160 20 0 GGADHM O=C(NCCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C1CCC1 ZINC000176985479 565820298 /nfs/dbraw/zinc/82/02/98/565820298.db2.gz POAKVZHCGWJNCD-UHFFFAOYSA-N -1 3 386.926 3.139 20 0 GGADHM O=c1[n-]nc(SCCOc2cc(Cl)ccc2Cl)n1C[C@@H]1CCCO1 ZINC000194535002 565821419 /nfs/dbraw/zinc/82/14/19/565821419.db2.gz WACDQUUHETWSOO-NSHDSACASA-N -1 3 390.292 3.228 20 0 GGADHM CN(C)C(=O)c1cc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)ccn1 ZINC000194586948 565824357 /nfs/dbraw/zinc/82/43/57/565824357.db2.gz CAGJCZUAEJYERI-UHFFFAOYSA-N -1 3 388.276 3.032 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCCCC1=O ZINC000194601940 565825610 /nfs/dbraw/zinc/82/56/10/565825610.db2.gz DLHMWHPEPRWDPR-JTQLQIEISA-N -1 3 398.834 3.038 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c(Cl)c1 ZINC000194644047 565827602 /nfs/dbraw/zinc/82/76/02/565827602.db2.gz RGYYOWVZHJIDRW-UHFFFAOYSA-N -1 3 391.251 3.434 20 0 GGADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194632406 565828041 /nfs/dbraw/zinc/82/80/41/565828041.db2.gz DZYCKZRWTIFCOH-UHFFFAOYSA-N -1 3 384.738 3.128 20 0 GGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCn2c(Br)cnc2C1 ZINC000283752804 565828198 /nfs/dbraw/zinc/82/81/98/565828198.db2.gz IWVSRKOZAORXCB-UHFFFAOYSA-N -1 3 390.159 3.026 20 0 GGADHM CCOC(=O)C(=C([O-])CSc1ccc2n[nH]cc2c1)c1nc(C)cs1 ZINC000413026207 565830587 /nfs/dbraw/zinc/83/05/87/565830587.db2.gz TYYXJXAEYUEMCV-OAHLLOKOSA-N -1 3 375.475 3.336 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000177180297 565833022 /nfs/dbraw/zinc/83/30/22/565833022.db2.gz PUPZVQQQWPJALU-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000177180479 565833134 /nfs/dbraw/zinc/83/31/34/565833134.db2.gz OMLCNXFHVUOPBV-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000177181898 565833762 /nfs/dbraw/zinc/83/37/62/565833762.db2.gz BJRZMWUIMHTXGC-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM CN(Cc1ccco1)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000194765644 565834662 /nfs/dbraw/zinc/83/46/62/565834662.db2.gz PPKFQHLYYPQIDF-UHFFFAOYSA-N -1 3 396.515 3.153 20 0 GGADHM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194773527 565836008 /nfs/dbraw/zinc/83/60/08/565836008.db2.gz OHRGNIAFXTWAEW-MRVPVSSYSA-N -1 3 390.221 3.171 20 0 GGADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000332434137 565836811 /nfs/dbraw/zinc/83/68/11/565836811.db2.gz BTCGUPCUKSOLMA-NSHDSACASA-N -1 3 394.306 3.055 20 0 GGADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000194807300 565839370 /nfs/dbraw/zinc/83/93/70/565839370.db2.gz VEFQFIXRNZBWSA-ZDUSSCGKSA-N -1 3 380.432 3.034 20 0 GGADHM NC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000332495012 565840193 /nfs/dbraw/zinc/84/01/93/565840193.db2.gz XXXQPSCDPYXTKZ-UHFFFAOYSA-N -1 3 381.679 3.229 20 0 GGADHM O=S(=O)(Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(C2CC2)n[n-]1 ZINC000194816450 565841271 /nfs/dbraw/zinc/84/12/71/565841271.db2.gz NLNLWBOMTHETAV-UHFFFAOYSA-N -1 3 380.882 3.433 20 0 GGADHM O=S(=O)(Cc1csc(-c2ccc(Cl)cc2)n1)c1nnc(C2CC2)[n-]1 ZINC000194816450 565841274 /nfs/dbraw/zinc/84/12/74/565841274.db2.gz NLNLWBOMTHETAV-UHFFFAOYSA-N -1 3 380.882 3.433 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC000332504800 565841412 /nfs/dbraw/zinc/84/14/12/565841412.db2.gz XUWWJGDVQCZZRE-LLVKDONJSA-N -1 3 394.306 3.055 20 0 GGADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCC1(F)F ZINC000332505403 565841449 /nfs/dbraw/zinc/84/14/49/565841449.db2.gz IBBPBSALSXMNEH-SECBINFHSA-N -1 3 385.208 3.408 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000332502482 565841513 /nfs/dbraw/zinc/84/15/13/565841513.db2.gz RQTSZVDPJJAJRY-JTQLQIEISA-N -1 3 381.828 3.215 20 0 GGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000194842048 565841661 /nfs/dbraw/zinc/84/16/61/565841661.db2.gz JIPWPFAHBHNKCH-JTQLQIEISA-N -1 3 390.889 3.039 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c2cccnc12 ZINC000194847326 565841780 /nfs/dbraw/zinc/84/17/80/565841780.db2.gz BPTDRFFNDYZJHU-UHFFFAOYSA-N -1 3 395.893 3.175 20 0 GGADHM CCC(=O)[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332537442 565843097 /nfs/dbraw/zinc/84/30/97/565843097.db2.gz YVPRLASKGQQGQH-OAHLLOKOSA-N -1 3 391.265 3.264 20 0 GGADHM CCC(=O)[C@H]1CCCCN1C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000332537442 565843098 /nfs/dbraw/zinc/84/30/98/565843098.db2.gz YVPRLASKGQQGQH-OAHLLOKOSA-N -1 3 391.265 3.264 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]C[C@@H]3CCCC[C@@H]3C(F)(F)F)cc12 ZINC000332567689 565844966 /nfs/dbraw/zinc/84/49/66/565844966.db2.gz UYOCTPUEPPCMNB-GWCFXTLKSA-N -1 3 377.388 3.178 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000332597660 565846118 /nfs/dbraw/zinc/84/61/18/565846118.db2.gz MJMWCTVYQZZOLF-SCZZXKLOSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCO1 ZINC000332597660 565846120 /nfs/dbraw/zinc/84/61/20/565846120.db2.gz MJMWCTVYQZZOLF-SCZZXKLOSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000332600652 565846169 /nfs/dbraw/zinc/84/61/69/565846169.db2.gz GXMKWPIELOEBCO-BETUJISGSA-N -1 3 395.352 3.161 20 0 GGADHM C[C@H]1CN(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000332600654 565846299 /nfs/dbraw/zinc/84/62/99/565846299.db2.gz GXMKWPIELOEBCO-STQMWFEESA-N -1 3 395.352 3.161 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C1CCSCC1 ZINC000332615670 565847367 /nfs/dbraw/zinc/84/73/67/565847367.db2.gz AZNOBNQBFLPTOZ-UHFFFAOYSA-N -1 3 384.274 3.482 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCc2nccn2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000332618783 565847683 /nfs/dbraw/zinc/84/76/83/565847683.db2.gz TVAUAZBBZISKMI-SECBINFHSA-N -1 3 394.711 3.384 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000413389136 565848943 /nfs/dbraw/zinc/84/89/43/565848943.db2.gz SUEJIEJLHLXLIC-GDBMZVCRSA-N -1 3 391.265 3.172 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000413389138 565849101 /nfs/dbraw/zinc/84/91/01/565849101.db2.gz SUEJIEJLHLXLIC-HOCLYGCPSA-N -1 3 391.265 3.172 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)[n-]2)o1 ZINC000194934393 565849816 /nfs/dbraw/zinc/84/98/16/565849816.db2.gz QVIDERBMOVZBCP-ZDUSSCGKSA-N -1 3 389.209 3.078 20 0 GGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)n2)o1 ZINC000194934393 565849820 /nfs/dbraw/zinc/84/98/20/565849820.db2.gz QVIDERBMOVZBCP-ZDUSSCGKSA-N -1 3 389.209 3.078 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)n[n-]2)o1 ZINC000194934393 565849824 /nfs/dbraw/zinc/84/98/24/565849824.db2.gz QVIDERBMOVZBCP-ZDUSSCGKSA-N -1 3 389.209 3.078 20 0 GGADHM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000332642686 565849934 /nfs/dbraw/zinc/84/99/34/565849934.db2.gz RYDGTXXJXDIVJH-NSHDSACASA-N -1 3 389.308 3.002 20 0 GGADHM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000332642684 565849946 /nfs/dbraw/zinc/84/99/46/565849946.db2.gz RYDGTXXJXDIVJH-LLVKDONJSA-N -1 3 389.308 3.002 20 0 GGADHM C[C@@H]1COCC[C@@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000332670087 565851435 /nfs/dbraw/zinc/85/14/35/565851435.db2.gz PEGVEJTYRZLEPQ-RNCFNFMXSA-N -1 3 382.233 3.011 20 0 GGADHM O=S(=O)(CCC(F)(F)F)[N-][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000284390552 565851770 /nfs/dbraw/zinc/85/17/70/565851770.db2.gz SLQTYINTANKYRP-RYUDHWBXSA-N -1 3 375.771 3.181 20 0 GGADHM C[C@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCO1 ZINC000332701364 565853202 /nfs/dbraw/zinc/85/32/02/565853202.db2.gz WZNGBWDOEMLUIB-IUCAKERBSA-N -1 3 383.221 3.127 20 0 GGADHM O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)c1cccc(Br)c1 ZINC000195041801 565854243 /nfs/dbraw/zinc/85/42/43/565854243.db2.gz YCGPQRARXSFLIM-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)c1cccc(Br)c1 ZINC000195041801 565854249 /nfs/dbraw/zinc/85/42/49/565854249.db2.gz YCGPQRARXSFLIM-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)c1cccc(Br)c1 ZINC000195041801 565854254 /nfs/dbraw/zinc/85/42/54/565854254.db2.gz YCGPQRARXSFLIM-UHFFFAOYSA-N -1 3 384.280 3.270 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1ccc(OC(F)(F)F)cc1 ZINC000177526897 565857409 /nfs/dbraw/zinc/85/74/09/565857409.db2.gz AIMOVBFTKILWRD-UHFFFAOYSA-N -1 3 381.397 3.176 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cncc(Br)c2)C2CC2)s1 ZINC000284537490 565857423 /nfs/dbraw/zinc/85/74/23/565857423.db2.gz DHXAODRXJHRCBO-CYBMUJFWSA-N -1 3 388.312 3.039 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)Cc1cccc(Br)c1 ZINC000177551078 565858361 /nfs/dbraw/zinc/85/83/61/565858361.db2.gz XQWHNGNNPYMSHR-JTQLQIEISA-N -1 3 390.324 3.429 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(F)cc1Br ZINC000333087155 565864723 /nfs/dbraw/zinc/86/47/23/565864723.db2.gz AFONPBHJGPMSSR-LLVKDONJSA-N -1 3 392.290 3.277 20 0 GGADHM O=C(C1CC1)N1CCC([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000333092703 565865015 /nfs/dbraw/zinc/86/50/15/565865015.db2.gz ZUSMZKBDIUKHPR-UHFFFAOYSA-N -1 3 398.937 3.234 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCN(C)[C@H]2c2cccs2)sc1C ZINC000333107718 565865805 /nfs/dbraw/zinc/86/58/05/565865805.db2.gz DVHQWCOZEHMQNC-UKRRQHHQSA-N -1 3 385.580 3.183 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCN1C1CCCCC1 ZINC000333114650 565865984 /nfs/dbraw/zinc/86/59/84/565865984.db2.gz SZIVRPAGONQEFH-HNNXBMFYSA-N -1 3 388.892 3.081 20 0 GGADHM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1 ZINC000195240847 565868363 /nfs/dbraw/zinc/86/83/63/565868363.db2.gz BTKXSIPTAKIRNM-UHFFFAOYSA-N -1 3 391.242 3.298 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCOc4c(Cl)cccc43)cn21 ZINC000333174492 565868616 /nfs/dbraw/zinc/86/86/16/565868616.db2.gz OJHPKIHJKMLJSO-BXUZGUMPSA-N -1 3 381.885 3.236 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3cccs3)C2)sc1C ZINC000333188860 565869975 /nfs/dbraw/zinc/86/99/75/565869975.db2.gz VBLZELQQAUWVSS-CQSZACIVSA-N -1 3 385.580 3.012 20 0 GGADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000284773108 565870232 /nfs/dbraw/zinc/87/02/32/565870232.db2.gz WDZSRQIESXAOOS-UHFFFAOYSA-N -1 3 394.678 3.008 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c(F)cc1Br ZINC000333226713 565872509 /nfs/dbraw/zinc/87/25/09/565872509.db2.gz XLYYUILQUFFUFT-HONMWMINSA-N -1 3 392.290 3.133 20 0 GGADHM Cn1c(CNC(=O)NCc2ccc([O-])c(Br)c2)nc2ccccc21 ZINC000177886303 565879058 /nfs/dbraw/zinc/87/90/58/565879058.db2.gz MLFGZGMPVXMUBK-UHFFFAOYSA-N -1 3 389.253 3.041 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(C(F)(F)F)cc1F ZINC000333370669 565879733 /nfs/dbraw/zinc/87/97/33/565879733.db2.gz WDMRRLNKMDMRNZ-ZLKJLUDKSA-N -1 3 379.375 3.080 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)C[C@H]3CCCCC3(F)F)CCCCC2)no1 ZINC000333394767 565880730 /nfs/dbraw/zinc/88/07/30/565880730.db2.gz HPQMGTYRTVNJEF-CYBMUJFWSA-N -1 3 377.457 3.282 20 0 GGADHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000195417129 565881384 /nfs/dbraw/zinc/88/13/84/565881384.db2.gz XZOGGAPPHOIPMT-UHFFFAOYSA-N -1 3 393.322 3.129 20 0 GGADHM O=C(NCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000195419680 565881457 /nfs/dbraw/zinc/88/14/57/565881457.db2.gz ZWULDMWPUCNWBG-UHFFFAOYSA-N -1 3 393.317 3.153 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000285021140 565883371 /nfs/dbraw/zinc/88/33/71/565883371.db2.gz FGHIHTWNTRJBNS-QWHCGFSZSA-N -1 3 381.416 3.241 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc2ccccc2c1F ZINC000333469093 565883768 /nfs/dbraw/zinc/88/37/68/565883768.db2.gz VYKHOIORVDIXRW-KSSFIOAISA-N -1 3 381.494 3.312 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccc2ccccc2c1F ZINC000333469089 565884033 /nfs/dbraw/zinc/88/40/33/565884033.db2.gz VYKHOIORVDIXRW-KBXCAEBGSA-N -1 3 381.494 3.312 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(Br)c(Cl)c1 ZINC000333608244 565889241 /nfs/dbraw/zinc/88/92/41/565889241.db2.gz ZSCZEQXPUUAJPB-SNVBAGLBSA-N -1 3 394.718 3.483 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(Br)s1 ZINC000333652105 565890885 /nfs/dbraw/zinc/89/08/85/565890885.db2.gz FDEVMGIQKYRUSG-JTQLQIEISA-N -1 3 380.329 3.138 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc(C)cc(C)c1 ZINC000216540990 565896154 /nfs/dbraw/zinc/89/61/54/565896154.db2.gz JDEIWFFCWZIQNL-UHFFFAOYSA-N -1 3 386.926 3.350 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)c1 ZINC000216133855 565896233 /nfs/dbraw/zinc/89/62/33/565896233.db2.gz TUYVYJMYWCUTLQ-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM CN(C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1cccs1 ZINC000178103805 565897834 /nfs/dbraw/zinc/89/78/34/565897834.db2.gz RWPBDEOMURYNDI-CYBMUJFWSA-N -1 3 398.326 3.318 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H](CCO)c1ccccc1 ZINC000178153944 565902158 /nfs/dbraw/zinc/90/21/58/565902158.db2.gz ZRAIDFVLZNJEMM-OAHLLOKOSA-N -1 3 393.281 3.120 20 0 GGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 ZINC000178260482 565908705 /nfs/dbraw/zinc/90/87/05/565908705.db2.gz JHJILQJNSFBWLB-UHFFFAOYSA-N -1 3 379.507 3.020 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000334001829 565908810 /nfs/dbraw/zinc/90/88/10/565908810.db2.gz SDTCOFPVZRXPTD-RDJZCZTQSA-N -1 3 381.270 3.008 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cncc(Br)c1 ZINC000223882135 565909960 /nfs/dbraw/zinc/90/99/60/565909960.db2.gz BSSNGDTYTWEUML-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000178327052 565911958 /nfs/dbraw/zinc/91/19/58/565911958.db2.gz IALVCNBILALCHH-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3cn(C)nc3C)s2)cs1 ZINC000178329723 565913756 /nfs/dbraw/zinc/91/37/56/565913756.db2.gz IUQQGSIRNHZNJG-JTQLQIEISA-N -1 3 382.536 3.261 20 0 GGADHM COC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000178340409 565913983 /nfs/dbraw/zinc/91/39/83/565913983.db2.gz LDMCBBXWCZTHOX-UHFFFAOYSA-N -1 3 397.200 3.402 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nc2c(s1)COCC2 ZINC000178439260 565918038 /nfs/dbraw/zinc/91/80/38/565918038.db2.gz FKZPDAUVBXOPSK-UHFFFAOYSA-N -1 3 384.255 3.006 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000414380033 565920073 /nfs/dbraw/zinc/92/00/73/565920073.db2.gz JXVSZPNFFYJDMY-UHFFFAOYSA-N -1 3 380.491 3.346 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000414386757 565920554 /nfs/dbraw/zinc/92/05/54/565920554.db2.gz IAZRSGAAEYCYOC-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000178496553 565921868 /nfs/dbraw/zinc/92/18/68/565921868.db2.gz NBFUXDPBBIHRRT-UHFFFAOYSA-N -1 3 396.877 3.215 20 0 GGADHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285726380 565923418 /nfs/dbraw/zinc/92/34/18/565923418.db2.gz UAQZPDXWJJYCJJ-UHFFFAOYSA-N -1 3 396.822 3.184 20 0 GGADHM CS[C@H](CO)[C@@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000228327911 565924513 /nfs/dbraw/zinc/92/45/13/565924513.db2.gz VOGTVUFYMJSKPZ-RDDDGLTNSA-N -1 3 399.148 3.119 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1nc(C)cs1 ZINC000178537272 565924696 /nfs/dbraw/zinc/92/46/96/565924696.db2.gz ZQVPCMYBJILQHD-GFCCVEGCSA-N -1 3 388.898 3.321 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000178561555 565925563 /nfs/dbraw/zinc/92/55/63/565925563.db2.gz BTHNKNDIMKRCNO-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM COc1cc(/C=C/C(=O)Nc2nnc(C)n2C2CC2)cc(Br)c1[O-] ZINC000285760237 565925498 /nfs/dbraw/zinc/92/54/98/565925498.db2.gz KKQOUBIRWVXLCW-ZZXKWVIFSA-N -1 3 393.241 3.050 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(c2nc(C)cs2)CCCC1 ZINC000178543370 565925601 /nfs/dbraw/zinc/92/56/01/565925601.db2.gz AZMICWMMTCYRIY-UHFFFAOYSA-N -1 3 386.520 3.047 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)cs1 ZINC000178542600 565926031 /nfs/dbraw/zinc/92/60/31/565926031.db2.gz HVCNOYWLOKIYKS-VIFPVBQESA-N -1 3 388.898 3.185 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000178567301 565926498 /nfs/dbraw/zinc/92/64/98/565926498.db2.gz KTGLPFBRWPKMGZ-UHFFFAOYSA-N -1 3 393.881 3.224 20 0 GGADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230589808 565928494 /nfs/dbraw/zinc/92/84/94/565928494.db2.gz PFMOCZSAZBXWMG-SNVBAGLBSA-N -1 3 376.247 3.481 20 0 GGADHM Cc1noc(-c2cc(S(=O)(=O)[N-]Cc3cccnc3)c(Cl)cc2Cl)n1 ZINC000349771303 565929574 /nfs/dbraw/zinc/92/95/74/565929574.db2.gz UMYGRDILYKXPPC-UHFFFAOYSA-N -1 3 399.259 3.225 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230610603 565929938 /nfs/dbraw/zinc/92/99/38/565929938.db2.gz WUFPQHQSXCUNMT-MRVPVSSYSA-N -1 3 377.235 3.233 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCCCC1 ZINC000178640471 565931682 /nfs/dbraw/zinc/93/16/82/565931682.db2.gz RHMKGEXNZTUKIO-SNVBAGLBSA-N -1 3 398.834 3.038 20 0 GGADHM CC(C)=CC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000232623516 565931977 /nfs/dbraw/zinc/93/19/77/565931977.db2.gz LOLFWLXLYNSHAG-UHFFFAOYSA-N -1 3 383.105 3.456 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)s1 ZINC000178677644 565932990 /nfs/dbraw/zinc/93/29/90/565932990.db2.gz OZDAZHQTVKRAMM-UHFFFAOYSA-N -1 3 376.507 3.105 20 0 GGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232896434 565933215 /nfs/dbraw/zinc/93/32/15/565933215.db2.gz LXDDSCQAIANFFU-ZDUSSCGKSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H](CC[S@](C)=O)NCc1cc(Br)c([O-])c(Br)c1 ZINC000235108460 565934550 /nfs/dbraw/zinc/93/45/50/565934550.db2.gz BXHMJHFPCQRDQX-ASCAZGACSA-N -1 3 399.148 3.164 20 0 GGADHM COC(C)(C)c1noc(-c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)n1 ZINC000350299353 565934744 /nfs/dbraw/zinc/93/47/44/565934744.db2.gz ILXJMEKMFRYOME-UHFFFAOYSA-N -1 3 379.360 3.008 20 0 GGADHM CC(C)c1nncn1CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000414453528 565935740 /nfs/dbraw/zinc/93/57/40/565935740.db2.gz BTTLPWRDXBTGFB-UHFFFAOYSA-N -1 3 378.885 3.187 20 0 GGADHM CC(C)c1nncn1CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000414453257 565935904 /nfs/dbraw/zinc/93/59/04/565935904.db2.gz BDFWTTJMLMVBCB-UHFFFAOYSA-N -1 3 384.914 3.248 20 0 GGADHM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(F)(F)F ZINC000414458336 565936124 /nfs/dbraw/zinc/93/61/24/565936124.db2.gz UHGZQSQMKZDNNI-AWEZNQCLSA-N -1 3 379.400 3.297 20 0 GGADHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235733345 565936943 /nfs/dbraw/zinc/93/69/43/565936943.db2.gz YTGCDXVQJRLNAF-UHFFFAOYSA-N -1 3 392.706 3.045 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000178784656 565937472 /nfs/dbraw/zinc/93/74/72/565937472.db2.gz QQYVSSFMARSOIY-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000414460028 565937718 /nfs/dbraw/zinc/93/77/18/565937718.db2.gz CFJJVCURXQQUQG-SECBINFHSA-N -1 3 380.272 3.252 20 0 GGADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1ccc(Cl)c(Br)c1 ZINC000236053740 565937969 /nfs/dbraw/zinc/93/79/69/565937969.db2.gz KXNCAZPVPUQRAW-SNVBAGLBSA-N -1 3 382.707 3.340 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1nccs1 ZINC000178784065 565938245 /nfs/dbraw/zinc/93/82/45/565938245.db2.gz NGLBKJQAEIRRSX-HNNXBMFYSA-N -1 3 388.898 3.187 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@@H]2CCC(F)(F)C2)no1)c1ccc(Cl)s1 ZINC000350583763 565938539 /nfs/dbraw/zinc/93/85/39/565938539.db2.gz CGXGVTDVPLHALH-SSDOTTSWSA-N -1 3 383.829 3.166 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@H]2CCC(F)(F)C2)no1)c1ccc(Cl)s1 ZINC000350583775 565938705 /nfs/dbraw/zinc/93/87/05/565938705.db2.gz CGXGVTDVPLHALH-ZETCQYMHSA-N -1 3 383.829 3.166 20 0 GGADHM Cn1nccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Br ZINC000236077769 565938786 /nfs/dbraw/zinc/93/87/86/565938786.db2.gz JBAFUUBZJGXKIF-UHFFFAOYSA-N -1 3 384.177 3.002 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2cc(Br)c(C)cc2Cl)cnn1C ZINC000414467386 565939198 /nfs/dbraw/zinc/93/91/98/565939198.db2.gz YXWNKQXLYGMZFO-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM COc1cc(-c2noc(-c3cc(CS(C)(=O)=O)c(C)s3)n2)ccc1[O-] ZINC000350575460 565939296 /nfs/dbraw/zinc/93/92/96/565939296.db2.gz IERPEKMVRJVITG-UHFFFAOYSA-N -1 3 380.447 3.032 20 0 GGADHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000414472958 565939851 /nfs/dbraw/zinc/93/98/51/565939851.db2.gz USNUZDICWMVRKP-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM COc1cc(OCCN(C)C)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000414475743 565940047 /nfs/dbraw/zinc/94/00/47/565940047.db2.gz VTWPUVKMXUNGKE-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM COc1cc(-c2noc([C@H]3CCc4nccn4C3)n2)cc(Br)c1[O-] ZINC000350783011 565940583 /nfs/dbraw/zinc/94/05/83/565940583.db2.gz UILGHKMMQUYBRQ-VIFPVBQESA-N -1 3 391.225 3.140 20 0 GGADHM COc1cc(OCCN(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000414477162 565940700 /nfs/dbraw/zinc/94/07/00/565940700.db2.gz ZEJIKLXSDFTOOW-UHFFFAOYSA-N -1 3 390.914 3.151 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1nc(-c2ccncc2)no1 ZINC000178858653 565941421 /nfs/dbraw/zinc/94/14/21/565941421.db2.gz XHYMKHDMFQZCCZ-UHFFFAOYSA-N -1 3 399.259 3.058 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(COC)ccc1OC)c1nc(C)cs1 ZINC000286124340 565943366 /nfs/dbraw/zinc/94/33/66/565943366.db2.gz VZSKVGMFMCALIP-QGZVFWFLSA-N -1 3 384.523 3.210 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(COC)ccc1OC)c1nc(C)cs1 ZINC000286124335 565943541 /nfs/dbraw/zinc/94/35/41/565943541.db2.gz VZSKVGMFMCALIP-KRWDZBQOSA-N -1 3 384.523 3.210 20 0 GGADHM COc1ccc(CNC[C@H](CO)c2ccc(F)cc2)c(Br)c1[O-] ZINC000414528722 565944814 /nfs/dbraw/zinc/94/48/14/565944814.db2.gz OPTCQHHCRRNFRW-CYBMUJFWSA-N -1 3 384.245 3.168 20 0 GGADHM COc1ccc(CNC[C@@H](CO)c2ccc(F)cc2)c(Br)c1[O-] ZINC000414528730 565945108 /nfs/dbraw/zinc/94/51/08/565945108.db2.gz OPTCQHHCRRNFRW-ZDUSSCGKSA-N -1 3 384.245 3.168 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]CCc2csc(-c3ccc(Cl)cc3)n2)cn1C ZINC000178961650 565948569 /nfs/dbraw/zinc/94/85/69/565948569.db2.gz OBHAZXMGMFCDIV-UHFFFAOYSA-N -1 3 396.925 3.026 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2ccccc2Br)c(=O)[n-]1 ZINC000179004773 565952015 /nfs/dbraw/zinc/95/20/15/565952015.db2.gz UNOZONLPXSYOMM-UHFFFAOYSA-N -1 3 392.297 3.133 20 0 GGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](N[C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1=O ZINC000414656340 565953199 /nfs/dbraw/zinc/95/31/99/565953199.db2.gz KOQVSNKFBHDQDJ-LVYCXYHQSA-N -1 3 384.929 3.193 20 0 GGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCCCc2c(Cl)cccc2Cl)C1=O ZINC000414658416 565953547 /nfs/dbraw/zinc/95/35/47/565953547.db2.gz MUKXLIZEAKZCKD-HZPDHXFCSA-N -1 3 387.307 3.226 20 0 GGADHM CC(C)[C@H](C(=O)[O-])N1CC[C@H](N[C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1=O ZINC000414656339 565953666 /nfs/dbraw/zinc/95/36/66/565953666.db2.gz KOQVSNKFBHDQDJ-CQUYNDQOSA-N -1 3 384.929 3.193 20 0 GGADHM O=C([O-])CCCCCNCc1c(F)ccc(I)c1F ZINC000414685036 565955608 /nfs/dbraw/zinc/95/56/08/565955608.db2.gz RSJMVAJXGZZLMM-UHFFFAOYSA-N -1 3 383.176 3.304 20 0 GGADHM CCOC(=O)C[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(C)=O ZINC000286490869 565963752 /nfs/dbraw/zinc/96/37/52/565963752.db2.gz HZVLFANJNSZNAC-CYBMUJFWSA-N -1 3 383.857 3.040 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1c(C)noc1C ZINC000179315899 565972754 /nfs/dbraw/zinc/97/27/54/565972754.db2.gz XKIVNUMBFMIBIN-ZDUSSCGKSA-N -1 3 386.857 3.161 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2Cl)c(C)c1 ZINC000179388796 565977666 /nfs/dbraw/zinc/97/76/66/565977666.db2.gz OBYWDZATVNMWBB-UHFFFAOYSA-N -1 3 382.869 3.208 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CC[C@H](C2CC2)C1 ZINC000362395376 565979072 /nfs/dbraw/zinc/97/90/72/565979072.db2.gz JEMKNVQJXMGTRT-ZDUSSCGKSA-N -1 3 396.559 3.160 20 0 GGADHM COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000179410797 565979519 /nfs/dbraw/zinc/97/95/19/565979519.db2.gz WQFLDRXRXYKQNR-OAHLLOKOSA-N -1 3 392.249 3.449 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)Nc1nccs1 ZINC000179411588 565979636 /nfs/dbraw/zinc/97/96/36/565979636.db2.gz IGYMCWBSSXWIKZ-VIFPVBQESA-N -1 3 393.943 3.190 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000179454153 565982151 /nfs/dbraw/zinc/98/21/51/565982151.db2.gz UMJLAWPLHIAXMA-INIZCTEOSA-N -1 3 378.222 3.074 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F ZINC000242776116 565985173 /nfs/dbraw/zinc/98/51/73/565985173.db2.gz DURAMJULEWAGQI-UHFFFAOYSA-N -1 3 395.214 3.189 20 0 GGADHM Cc1cccc([O-])c1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000179544425 565987605 /nfs/dbraw/zinc/98/76/05/565987605.db2.gz DPWBAJGRNBDPAD-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM CC1(C)CC[C@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000286940758 565988090 /nfs/dbraw/zinc/98/80/90/565988090.db2.gz FDBQWHYCVCXBDA-CYBMUJFWSA-N -1 3 396.228 3.463 20 0 GGADHM O=C(c1sccc1C1CC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000363076306 565990272 /nfs/dbraw/zinc/99/02/72/565990272.db2.gz LPDNNRKWRHXVTP-UHFFFAOYSA-N -1 3 396.559 3.270 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000245539126 565993951 /nfs/dbraw/zinc/99/39/51/565993951.db2.gz JOLUSVGICNEIEO-DFKRKDTASA-N -1 3 392.304 3.238 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Br)cc1-n1cncn1 ZINC000179643355 565996152 /nfs/dbraw/zinc/99/61/52/565996152.db2.gz JZZNQCAUIZBUSE-UHFFFAOYSA-N -1 3 377.173 3.127 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000179649329 565996452 /nfs/dbraw/zinc/99/64/52/565996452.db2.gz BFDHRLSQGVRHRS-AWEZNQCLSA-N -1 3 380.828 3.339 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000179653799 565996463 /nfs/dbraw/zinc/99/64/63/565996463.db2.gz MWFOMWPMSBHWQB-CYBMUJFWSA-N -1 3 393.237 3.381 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000179649314 565996642 /nfs/dbraw/zinc/99/66/42/565996642.db2.gz BFDHRLSQGVRHRS-CQSZACIVSA-N -1 3 380.828 3.339 20 0 GGADHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000179653922 565996735 /nfs/dbraw/zinc/99/67/35/565996735.db2.gz VFWGCWWXDNIGRG-UHFFFAOYSA-N -1 3 398.278 3.427 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@H]4CCO[C@H]4C34CCC4)s2)cs1 ZINC000245568916 565997541 /nfs/dbraw/zinc/99/75/41/565997541.db2.gz YHGRTBUPVLCJLO-HFBAOOFYSA-N -1 3 396.559 3.416 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)o1 ZINC000179872530 566014218 /nfs/dbraw/zinc/01/42/18/566014218.db2.gz SGDUKXJIQNZHFZ-XJKSGUPXSA-N -1 3 380.535 3.407 20 0 GGADHM CC[C@H](C)[C@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179869791 566014692 /nfs/dbraw/zinc/01/46/92/566014692.db2.gz ILGLROYTDVNOAJ-UWVGGRQHSA-N -1 3 398.244 3.297 20 0 GGADHM C[C@H]1C[C@@H]1c1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)o1 ZINC000179872499 566014859 /nfs/dbraw/zinc/01/48/59/566014859.db2.gz SGDUKXJIQNZHFZ-BBRMVZONSA-N -1 3 380.535 3.407 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CCC1 ZINC000179970288 566022510 /nfs/dbraw/zinc/02/25/10/566022510.db2.gz RRMXVORNRBFJLQ-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2ccccc2)c2ccc(Cl)cc2)no1 ZINC000179987156 566023931 /nfs/dbraw/zinc/02/39/31/566023931.db2.gz GRLIETHHGQJAHX-INIZCTEOSA-N -1 3 377.853 3.240 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179990258 566024133 /nfs/dbraw/zinc/02/41/33/566024133.db2.gz DKKXLOYAEGLFNI-CYBMUJFWSA-N -1 3 399.881 3.169 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1nc(C)cs1 ZINC000246266958 566024620 /nfs/dbraw/zinc/02/46/20/566024620.db2.gz UUDCSNQHGIKRTA-KKXDTOCCSA-N -1 3 384.567 3.392 20 0 GGADHM CC(C)C[C@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000180031456 566026752 /nfs/dbraw/zinc/02/67/52/566026752.db2.gz WGWKLIOLDCJPED-JTQLQIEISA-N -1 3 398.244 3.297 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246488417 566030903 /nfs/dbraw/zinc/03/09/03/566030903.db2.gz AXDVFLWJIFCOBF-ZNLKAECVSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246488407 566031353 /nfs/dbraw/zinc/03/13/53/566031353.db2.gz AXDVFLWJIFCOBF-BHVCSQLQSA-N -1 3 384.350 3.352 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000180105915 566032883 /nfs/dbraw/zinc/03/28/83/566032883.db2.gz JYKFZPAYLRXZEH-SSDOTTSWSA-N -1 3 382.330 3.018 20 0 GGADHM COc1cc(/C=C/C(=O)NCC(C)(C)C[C@H](C)O)cc(Br)c1[O-] ZINC000180100049 566033140 /nfs/dbraw/zinc/03/31/40/566033140.db2.gz KHUGIJGNJGCBPJ-QRGHLMKCSA-N -1 3 386.286 3.090 20 0 GGADHM COC(=O)c1c([N-]C(=O)c2ncsc2C(F)(F)F)sc2c1CCOC2 ZINC000416115389 566035978 /nfs/dbraw/zinc/03/59/78/566035978.db2.gz NABWCDXPZINYNK-UHFFFAOYSA-N -1 3 392.380 3.335 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180176094 566040006 /nfs/dbraw/zinc/04/00/06/566040006.db2.gz NZCZDFRGMQMEOL-HOCLYGCPSA-N -1 3 387.864 3.065 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000246741878 566040235 /nfs/dbraw/zinc/04/02/35/566040235.db2.gz WOEQDZNMNWJGRF-NNOLRYQLSA-N -1 3 384.350 3.352 20 0 GGADHM COc1cc(/C=C/C(=O)NCCCC(C)(C)CO)cc(Br)c1[O-] ZINC000180173668 566040528 /nfs/dbraw/zinc/04/05/28/566040528.db2.gz BELAWYYSLFQVIY-AATRIKPKSA-N -1 3 386.286 3.091 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(F)c(F)c1 ZINC000180182389 566041026 /nfs/dbraw/zinc/04/10/26/566041026.db2.gz XRKOGDVGMWIBOC-INIZCTEOSA-N -1 3 377.359 3.050 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)ccc1Br ZINC000416590212 566091159 /nfs/dbraw/zinc/09/11/59/566091159.db2.gz BLNBGZQIQOYYRD-QMMMGPOBSA-N -1 3 390.221 3.325 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000180186022 566042704 /nfs/dbraw/zinc/04/27/04/566042704.db2.gz POPXTUPNBYWPRH-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@H]2CCO[C@H]21 ZINC000246871182 566043905 /nfs/dbraw/zinc/04/39/05/566043905.db2.gz LBFRPKROHNVNQF-OASPWFOLSA-N -1 3 383.819 3.451 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cnc(Cl)c(F)c1 ZINC000287890128 566046004 /nfs/dbraw/zinc/04/60/04/566046004.db2.gz RKBJRTWDBRBBDX-WFASDCNBSA-N -1 3 388.823 3.212 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])CCN(C2CCC2)C1 ZINC000416237792 566047362 /nfs/dbraw/zinc/04/73/62/566047362.db2.gz FVVLATUDNCCVHH-NSHDSACASA-N -1 3 385.277 3.240 20 0 GGADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)ccc2N1 ZINC000180287462 566051469 /nfs/dbraw/zinc/05/14/69/566051469.db2.gz MXWDAMSMNIRJJP-UHFFFAOYSA-N -1 3 386.260 3.464 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180287940 566051673 /nfs/dbraw/zinc/05/16/73/566051673.db2.gz DFZCJINFDLCUPN-UHFFFAOYSA-N -1 3 379.196 3.115 20 0 GGADHM O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Br)cc1[O-] ZINC000180295648 566052187 /nfs/dbraw/zinc/05/21/87/566052187.db2.gz AFFYONABOXFCCB-UHFFFAOYSA-N -1 3 390.281 3.196 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1C ZINC000180290750 566052431 /nfs/dbraw/zinc/05/24/31/566052431.db2.gz BTTZLTIEYBHTSL-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000180290634 566052784 /nfs/dbraw/zinc/05/27/84/566052784.db2.gz GGOSWNMPUIKOHR-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cn1 ZINC000180290775 566052826 /nfs/dbraw/zinc/05/28/26/566052826.db2.gz GHVAGNUZGXGNIO-UHFFFAOYSA-N -1 3 399.259 3.384 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@H]2CCO[C@H]21 ZINC000247132350 566053499 /nfs/dbraw/zinc/05/34/99/566053499.db2.gz WRKWFBPJHOEUCK-OASPWFOLSA-N -1 3 394.718 3.194 20 0 GGADHM C[C@H]1[C@@H](C)N(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000416317699 566053780 /nfs/dbraw/zinc/05/37/80/566053780.db2.gz JIRZRGQMQREPHF-IJLUTSLNSA-N -1 3 393.336 3.165 20 0 GGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000416317698 566054061 /nfs/dbraw/zinc/05/40/61/566054061.db2.gz JIRZRGQMQREPHF-GRYCIOLGSA-N -1 3 393.336 3.165 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@H]4OCC[C@H]43)s2)cs1 ZINC000247214270 566055586 /nfs/dbraw/zinc/05/55/86/566055586.db2.gz XFGWGQZQNIFWKC-OUCADQQQSA-N -1 3 384.548 3.416 20 0 GGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(CSCC)on2)n1 ZINC000288124575 566057796 /nfs/dbraw/zinc/05/77/96/566057796.db2.gz IDJSCGTVGXSFNV-UHFFFAOYSA-N -1 3 383.495 3.477 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@H](c3cccc(Br)c3)C2)n1 ZINC000247347375 566059067 /nfs/dbraw/zinc/05/90/67/566059067.db2.gz GWPLZHCOAREMHY-IUODEOHRSA-N -1 3 378.270 3.388 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)cn1C ZINC000416380999 566060031 /nfs/dbraw/zinc/06/00/31/566060031.db2.gz BONSBCAXPQXKFM-OAHLLOKOSA-N -1 3 376.507 3.068 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)cs1 ZINC000416395340 566062261 /nfs/dbraw/zinc/06/22/61/566062261.db2.gz ZBDDPHCYYNJBRZ-VIFPVBQESA-N -1 3 388.898 3.185 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000416401283 566063428 /nfs/dbraw/zinc/06/34/28/566063428.db2.gz SZTYPFKYDZIMEY-WDEREUQCSA-N -1 3 377.915 3.079 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000416405594 566063587 /nfs/dbraw/zinc/06/35/87/566063587.db2.gz ZXMJIIXDSKKQSF-UHFFFAOYSA-N -1 3 389.901 3.144 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C1CCOCC1 ZINC000416414906 566064628 /nfs/dbraw/zinc/06/46/28/566064628.db2.gz JAXMCNGGSAJMLP-CQSZACIVSA-N -1 3 394.306 3.380 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416413063 566064635 /nfs/dbraw/zinc/06/46/35/566064635.db2.gz DZTATGTZKMYWTP-NWDGAFQWSA-N -1 3 391.942 3.469 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CSCC4)s1 ZINC000416417068 566064873 /nfs/dbraw/zinc/06/48/73/566064873.db2.gz XGUBELKTIANICI-UHFFFAOYSA-N -1 3 384.529 3.318 20 0 GGADHM Cc1nn(C)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1C(F)F ZINC000416412946 566065017 /nfs/dbraw/zinc/06/50/17/566065017.db2.gz BJMLHCCMMNHFFB-ZJUUUORDSA-N -1 3 389.390 3.313 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1OCCN(C)C ZINC000416421227 566065898 /nfs/dbraw/zinc/06/58/98/566065898.db2.gz BGHKVNOHVUYIKJ-UHFFFAOYSA-N -1 3 384.885 3.090 20 0 GGADHM CCCc1sc(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1CC ZINC000247948509 566068068 /nfs/dbraw/zinc/06/80/68/566068068.db2.gz KTXOVNLTWZRPMI-UHFFFAOYSA-N -1 3 386.564 3.163 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2sc3cccc(F)c3c2C)s1 ZINC000247952490 566068517 /nfs/dbraw/zinc/06/85/17/566068517.db2.gz KUPFIYIVSZDEIL-UHFFFAOYSA-N -1 3 398.506 3.248 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3ccsc3)n2)n1C[C@@H]1CCCO1 ZINC000247875082 566068596 /nfs/dbraw/zinc/06/85/96/566068596.db2.gz NMCVSZSEZISPPD-LBPRGKRZSA-N -1 3 380.520 3.228 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c(F)cc1Br ZINC000416449561 566069196 /nfs/dbraw/zinc/06/91/96/566069196.db2.gz WELOEPXVTXSZDG-SNVBAGLBSA-N -1 3 380.279 3.133 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c(F)cc1Br ZINC000416449143 566069335 /nfs/dbraw/zinc/06/93/35/566069335.db2.gz ITGNBJGKXQMMMJ-SMDDNHRTSA-N -1 3 394.306 3.379 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000416449066 566069587 /nfs/dbraw/zinc/06/95/87/566069587.db2.gz VGSZICZLUOYMRG-UHFFFAOYSA-N -1 3 394.306 3.382 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c(F)cc1Br ZINC000416449142 566069914 /nfs/dbraw/zinc/06/99/14/566069914.db2.gz ITGNBJGKXQMMMJ-RISCZKNCSA-N -1 3 394.306 3.379 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1C ZINC000416461338 566070437 /nfs/dbraw/zinc/07/04/37/566070437.db2.gz XQQIUXSSZJNLQD-HOCLYGCPSA-N -1 3 383.901 3.005 20 0 GGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416460720 566070719 /nfs/dbraw/zinc/07/07/19/566070719.db2.gz XLNYQPOJFBNHIU-QMMMGPOBSA-N -1 3 375.796 3.367 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c(F)cc1Br ZINC000416461288 566070963 /nfs/dbraw/zinc/07/09/63/566070963.db2.gz YZHUYKZYPLVXOC-SECBINFHSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cncs2)c(F)cc1Br ZINC000416477822 566072857 /nfs/dbraw/zinc/07/28/57/566072857.db2.gz WINNIWNPNGYHNT-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000288451611 566074446 /nfs/dbraw/zinc/07/44/46/566074446.db2.gz QEKKXZKSGZLQGU-LBPRGKRZSA-N -1 3 378.475 3.144 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1Cl ZINC000416480575 566074566 /nfs/dbraw/zinc/07/45/66/566074566.db2.gz AIIWURMACAYUHV-UHFFFAOYSA-N -1 3 387.807 3.368 20 0 GGADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cnc2onc(C3CC3)c2c1 ZINC000416487007 566075527 /nfs/dbraw/zinc/07/55/27/566075527.db2.gz KBIJSQFBEONZCV-UHFFFAOYSA-N -1 3 375.372 3.111 20 0 GGADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000416499607 566076614 /nfs/dbraw/zinc/07/66/14/566076614.db2.gz CGDZIHPGNCTRPD-SNVBAGLBSA-N -1 3 385.379 3.208 20 0 GGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000416494891 566076643 /nfs/dbraw/zinc/07/66/43/566076643.db2.gz JVNVBYHZDWPULW-KRWDZBQOSA-N -1 3 387.567 3.078 20 0 GGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248424973 566077236 /nfs/dbraw/zinc/07/72/36/566077236.db2.gz HQHJLJNPUXTASD-CTASWTNQSA-N -1 3 378.460 3.013 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(C)cn2)s1 ZINC000416505197 566077403 /nfs/dbraw/zinc/07/74/03/566077403.db2.gz BRKJDFUUSHXGCZ-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM [O-]c1ccc(Br)c(CNCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000288519085 566077751 /nfs/dbraw/zinc/07/77/51/566077751.db2.gz UJIYFJNXJPQYIS-CYBMUJFWSA-N -1 3 393.281 3.255 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCC2)c(Br)c1 ZINC000416505534 566078292 /nfs/dbraw/zinc/07/82/92/566078292.db2.gz DMLLZBPVVJOGMP-UHFFFAOYSA-N -1 3 383.105 3.351 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2ccc(C)cn2)cc1Cl ZINC000416508762 566079024 /nfs/dbraw/zinc/07/90/24/566079024.db2.gz SKOIXKRQQAIECZ-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(C)cn2)sc1Br ZINC000416508078 566079396 /nfs/dbraw/zinc/07/93/96/566079396.db2.gz QERBKHZYCRWYGB-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000416523779 566080044 /nfs/dbraw/zinc/08/00/44/566080044.db2.gz KBQRBLDBKGDETN-CYBMUJFWSA-N -1 3 393.933 3.237 20 0 GGADHM Cc1sc2nc(SCC(=O)Nc3ccccc3[O-])n(C)c(=O)c2c1C ZINC000180665597 566080944 /nfs/dbraw/zinc/08/09/44/566080944.db2.gz WOJHNUDUZBVFND-UHFFFAOYSA-N -1 3 375.475 3.048 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1nc2c(s1)CCC2 ZINC000416542759 566084684 /nfs/dbraw/zinc/08/46/84/566084684.db2.gz XWYICZIFVVRDLD-ZETCQYMHSA-N -1 3 377.285 3.027 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000416541551 566084778 /nfs/dbraw/zinc/08/47/78/566084778.db2.gz CONHDNRAXWGKTA-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)[nH]2)c1Cl ZINC000416548086 566084859 /nfs/dbraw/zinc/08/48/59/566084859.db2.gz WKMIVSROPTXAEQ-UHFFFAOYSA-N -1 3 377.297 3.196 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2n[nH]c(C(C)(C)C)n2)c1Cl ZINC000416548086 566084862 /nfs/dbraw/zinc/08/48/62/566084862.db2.gz WKMIVSROPTXAEQ-UHFFFAOYSA-N -1 3 377.297 3.196 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Cl)c(Br)c1 ZINC000248663941 566085374 /nfs/dbraw/zinc/08/53/74/566085374.db2.gz KJUQPICFVFKCFS-GDLCADMTSA-N -1 3 394.718 3.338 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000180740575 566085743 /nfs/dbraw/zinc/08/57/43/566085743.db2.gz UNEWVWWCQJQIIS-HOTGVXAUSA-N -1 3 375.343 3.052 20 0 GGADHM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000416548666 566085763 /nfs/dbraw/zinc/08/57/63/566085763.db2.gz BOYDKJMLTUBXTD-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)nc1C ZINC000416548582 566085828 /nfs/dbraw/zinc/08/58/28/566085828.db2.gz OVFLMBXTIGPJST-UHFFFAOYSA-N -1 3 378.347 3.215 20 0 GGADHM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000416561024 566087159 /nfs/dbraw/zinc/08/71/59/566087159.db2.gz SVECAQKOFZXTRJ-GFCCVEGCSA-N -1 3 390.288 3.056 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)cc1Cl ZINC000180788625 566088519 /nfs/dbraw/zinc/08/85/19/566088519.db2.gz KIIZBLIQKYECPH-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000248763424 566089227 /nfs/dbraw/zinc/08/92/27/566089227.db2.gz GTWPUYPIUTWJBS-SUMWQHHRSA-N -1 3 389.293 3.405 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c(Cl)c1 ZINC000180789438 566089316 /nfs/dbraw/zinc/08/93/16/566089316.db2.gz ANZDRSREUXHKIV-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl ZINC000180789239 566089525 /nfs/dbraw/zinc/08/95/25/566089525.db2.gz CQRWLUIRBULRHU-UHFFFAOYSA-N -1 3 384.248 3.078 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]Cc2cccc(Br)c2Cl)nc1C ZINC000416575085 566089545 /nfs/dbraw/zinc/08/95/45/566089545.db2.gz AFNLVZLKYOTQSW-UHFFFAOYSA-N -1 3 392.706 3.106 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000416584170 566090148 /nfs/dbraw/zinc/09/01/48/566090148.db2.gz CRIZRFUTXCURPD-CHWSQXEVSA-N -1 3 379.295 3.074 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000416583047 566090259 /nfs/dbraw/zinc/09/02/59/566090259.db2.gz XQZBCZIGOMMQJK-AEFFLSMTSA-N -1 3 381.881 3.080 20 0 GGADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416586655 566090562 /nfs/dbraw/zinc/09/05/62/566090562.db2.gz GREMKMSZDXCYGF-VXGBXAGGSA-N -1 3 383.363 3.051 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)CC(F)(F)F ZINC000416588813 566091727 /nfs/dbraw/zinc/09/17/27/566091727.db2.gz FJCWCVWVSASOQQ-CYBMUJFWSA-N -1 3 375.416 3.188 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)cc1OC ZINC000416594382 566092471 /nfs/dbraw/zinc/09/24/71/566092471.db2.gz OWYMSQFQXCUWDS-GHMZBOCLSA-N -1 3 396.278 3.025 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@H](C)O1 ZINC000416598161 566093047 /nfs/dbraw/zinc/09/30/47/566093047.db2.gz GQXPVJKBURBHQH-UTLUCORTSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000416600809 566093545 /nfs/dbraw/zinc/09/35/45/566093545.db2.gz QPIJFBOPBCTWRD-LKFCYVNXSA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000416600810 566093731 /nfs/dbraw/zinc/09/37/31/566093731.db2.gz QPIJFBOPBCTWRD-OTYXRUKQSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@H](C)O1 ZINC000416599313 566093788 /nfs/dbraw/zinc/09/37/88/566093788.db2.gz HOMOQFCUVGMVAE-UTLUCORTSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CC1 ZINC000416602735 566093813 /nfs/dbraw/zinc/09/38/13/566093813.db2.gz RWWQADCYBVJMOS-OTYXRUKQSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](C)O1 ZINC000416599310 566093969 /nfs/dbraw/zinc/09/39/69/566093969.db2.gz HOMOQFCUVGMVAE-OPRDCNLKSA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](C)O1 ZINC000416599303 566093996 /nfs/dbraw/zinc/09/39/96/566093996.db2.gz HOMOQFCUVGMVAE-BBBLOLIVSA-N -1 3 382.707 3.194 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OCCOC)CC(F)(F)F ZINC000416599844 566094048 /nfs/dbraw/zinc/09/40/48/566094048.db2.gz QLHDVFYEIFAAFZ-NSHDSACASA-N -1 3 387.395 3.108 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000416600331 566094354 /nfs/dbraw/zinc/09/43/54/566094354.db2.gz XMESIGMHMINMHE-UHFFFAOYSA-N -1 3 382.345 3.303 20 0 GGADHM O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1c([O-])cccc1O ZINC000180849348 566094431 /nfs/dbraw/zinc/09/44/31/566094431.db2.gz CNWWMGBGANGHJO-GFCCVEGCSA-N -1 3 391.265 3.117 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(F)cc2)c1Cl ZINC000416608940 566094706 /nfs/dbraw/zinc/09/47/06/566094706.db2.gz LFQLKLKKSZVGQW-LBPRGKRZSA-N -1 3 392.279 3.495 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br)C1CC1 ZINC000416606753 566095011 /nfs/dbraw/zinc/09/50/11/566095011.db2.gz XPAZEPZKKLMKSG-XPTSAGLGSA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br)C1CC1 ZINC000416606754 566095416 /nfs/dbraw/zinc/09/54/16/566095416.db2.gz XPAZEPZKKLMKSG-YMTOWFKASA-N -1 3 380.279 3.070 20 0 GGADHM 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Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000180974118 566103889 /nfs/dbraw/zinc/10/38/89/566103889.db2.gz ZLUWMPCIQLYMTE-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000180993789 566105076 /nfs/dbraw/zinc/10/50/76/566105076.db2.gz JKUGDXUZLOCJKA-CYBMUJFWSA-N -1 3 380.231 3.337 20 0 GGADHM CCOC1CC2(C1)CCN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000289224268 566112123 /nfs/dbraw/zinc/11/21/23/566112123.db2.gz NVIBLKHJZOBGQL-UHFFFAOYSA-N -1 3 383.286 3.255 20 0 GGADHM Cc1noc([C@H]2CCCCN2C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000289235249 566112813 /nfs/dbraw/zinc/11/28/13/566112813.db2.gz OVLNISOIGSRFOL-CYBMUJFWSA-N -1 3 395.257 3.283 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccoc1Br ZINC000365723311 566116552 /nfs/dbraw/zinc/11/65/52/566116552.db2.gz CGPQHSSXDJCQKF-UHFFFAOYSA-N -1 3 381.617 3.165 20 0 GGADHM Cc1ccc(CCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000289367119 566120362 /nfs/dbraw/zinc/12/03/62/566120362.db2.gz JODRFVPACOZMAK-UHFFFAOYSA-N -1 3 398.575 3.020 20 0 GGADHM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1Br ZINC000365831977 566120991 /nfs/dbraw/zinc/12/09/91/566120991.db2.gz MZKWJEOQQLWNSQ-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000365831977 566120997 /nfs/dbraw/zinc/12/09/97/566120997.db2.gz MZKWJEOQQLWNSQ-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2csc3ccccc32)no1 ZINC000289427808 566123015 /nfs/dbraw/zinc/12/30/15/566123015.db2.gz CVSSVFRSNVWTTC-NSHDSACASA-N -1 3 381.479 3.249 20 0 GGADHM O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1cccc([O-])c1 ZINC000365950617 566127901 /nfs/dbraw/zinc/12/79/01/566127901.db2.gz NXGRIOCINHHGFV-ZIAGYGMSSA-N -1 3 378.881 3.147 20 0 GGADHM COc1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c(Br)c1[O-] ZINC000289671387 566133679 /nfs/dbraw/zinc/13/36/79/566133679.db2.gz NNQQMXDNXZJNGR-AWEZNQCLSA-N -1 3 398.219 3.443 20 0 GGADHM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2c(F)cccc2Cl)cn1 ZINC000181364954 566136036 /nfs/dbraw/zinc/13/60/36/566136036.db2.gz NYMRRUJDOWPJER-UHFFFAOYSA-N -1 3 381.816 3.474 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC([O-])=NOC/C=C/Cl)cc1Cl ZINC000289708779 566136853 /nfs/dbraw/zinc/13/68/53/566136853.db2.gz DXJQZRYFQFXGAN-VMPITWQZSA-N -1 3 390.267 3.393 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1Cl ZINC000289708779 566136857 /nfs/dbraw/zinc/13/68/57/566136857.db2.gz DXJQZRYFQFXGAN-VMPITWQZSA-N -1 3 390.267 3.393 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1cccs1 ZINC000289737674 566137825 /nfs/dbraw/zinc/13/78/25/566137825.db2.gz FRYXWCWJBDIIIK-INIZCTEOSA-N -1 3 380.491 3.069 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCCc2cccc(Br)c2)n[n-]1 ZINC000611590647 566138433 /nfs/dbraw/zinc/13/84/33/566138433.db2.gz PISFIGIYLWXYJN-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCCc2cccc(Br)c2)[n-]n1 ZINC000611590647 566138437 /nfs/dbraw/zinc/13/84/37/566138437.db2.gz PISFIGIYLWXYJN-UHFFFAOYSA-N -1 3 380.242 3.310 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c(C)o1 ZINC000181386375 566138537 /nfs/dbraw/zinc/13/85/37/566138537.db2.gz BZHYTBZRBYSVCO-UHFFFAOYSA-N -1 3 394.783 3.003 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccs1 ZINC000289770575 566138837 /nfs/dbraw/zinc/13/88/37/566138837.db2.gz HMHFSNHRVXOKEK-OAHLLOKOSA-N -1 3 375.462 3.206 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1cccs1 ZINC000289776960 566139446 /nfs/dbraw/zinc/13/94/46/566139446.db2.gz HVXGXPIEOSJPCE-KRWDZBQOSA-N -1 3 379.503 3.161 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1cccs1 ZINC000289797400 566140889 /nfs/dbraw/zinc/14/08/89/566140889.db2.gz JCNQBSQEKRYJAL-AWEZNQCLSA-N -1 3 391.461 3.388 20 0 GGADHM C[C@@H](NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000262066597 566145097 /nfs/dbraw/zinc/14/50/97/566145097.db2.gz CIKUNPSBYHMQSK-FTLABTOESA-N -1 3 385.291 3.357 20 0 GGADHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@H]2CCCO[C@H]21 ZINC000366295938 566145915 /nfs/dbraw/zinc/14/59/15/566145915.db2.gz OTPYDAQRDNKQEO-KCPJHIHWSA-N -1 3 383.286 3.158 20 0 GGADHM O=C([O-])CCCNCc1cc(Br)ccc1OCc1ccccn1 ZINC000262376921 566150904 /nfs/dbraw/zinc/15/09/04/566150904.db2.gz BVONYLRNUOTKAD-UHFFFAOYSA-N -1 3 379.254 3.378 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@@](CO)(C(C)C)C2)cc(Br)c1[O-] ZINC000366499191 566155084 /nfs/dbraw/zinc/15/50/84/566155084.db2.gz DVADAVVLCJAWLJ-SHCNBLLESA-N -1 3 398.297 3.044 20 0 GGADHM Cc1nc(CN[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cs1 ZINC000417562086 566157648 /nfs/dbraw/zinc/15/76/48/566157648.db2.gz MBIHEUYJQVEFLI-AWEZNQCLSA-N -1 3 394.294 3.481 20 0 GGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1ccc(F)cc1I ZINC000417561453 566157688 /nfs/dbraw/zinc/15/76/88/566157688.db2.gz LGDYAIYEDVEPDL-LBPRGKRZSA-N -1 3 379.213 3.409 20 0 GGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ccc(F)cc1I ZINC000417561452 566157803 /nfs/dbraw/zinc/15/78/03/566157803.db2.gz LGDYAIYEDVEPDL-GFCCVEGCSA-N -1 3 379.213 3.409 20 0 GGADHM COCCC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000181680425 566158031 /nfs/dbraw/zinc/15/80/31/566158031.db2.gz IMNVMPDUNKLAOL-JTQLQIEISA-N -1 3 382.404 3.078 20 0 GGADHM Cc1cc(Br)c(CN[C@H](CN2CCCCC2)C(=O)[O-])cc1Cl ZINC000417574355 566161529 /nfs/dbraw/zinc/16/15/29/566161529.db2.gz IGFYQIQUOIURLU-OAHLLOKOSA-N -1 3 389.721 3.440 20 0 GGADHM CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000181731385 566161906 /nfs/dbraw/zinc/16/19/06/566161906.db2.gz CYHXNWVHWRDXQI-GFCCVEGCSA-N -1 3 389.308 3.002 20 0 GGADHM CCOc1c(Br)cc(Br)cc1CNC[C@H](C)C(=O)[O-] ZINC000417579636 566162549 /nfs/dbraw/zinc/16/25/49/566162549.db2.gz BEUWLPJKHFYZHL-QMMMGPOBSA-N -1 3 395.091 3.421 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000262866405 566163830 /nfs/dbraw/zinc/16/38/30/566163830.db2.gz UPVCOXJIEQTFSP-GUYCJALGSA-N -1 3 397.313 3.298 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN([C@@H](C)c2ccccc2Br)CC1 ZINC000262865193 566164180 /nfs/dbraw/zinc/16/41/80/566164180.db2.gz UNCBCAFNXTXAKX-ZFWWWQNUSA-N -1 3 397.313 3.298 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CCC2(CC2)CC1 ZINC000366686072 566164932 /nfs/dbraw/zinc/16/49/32/566164932.db2.gz PZULZSWXBNXTPU-UHFFFAOYSA-N -1 3 396.559 3.304 20 0 GGADHM COc1ccc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])c(OC)c1 ZINC000417608414 566166660 /nfs/dbraw/zinc/16/66/60/566166660.db2.gz ONTMTYWXATYFPB-MRXNPFEDSA-N -1 3 394.265 3.252 20 0 GGADHM COc1ccc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])c(OC)c1 ZINC000417615684 566167058 /nfs/dbraw/zinc/16/70/58/566167058.db2.gz ADZZMRQXFLZGIY-INIZCTEOSA-N -1 3 394.265 3.252 20 0 GGADHM CC(C)(C)c1ncc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])cn1 ZINC000417613149 566167595 /nfs/dbraw/zinc/16/75/95/566167595.db2.gz YSPDMKCWKHVMLC-OAHLLOKOSA-N -1 3 392.297 3.322 20 0 GGADHM O=C([O-])C[C@H](CNCc1ccc(I)cc1)C(F)(F)F ZINC000417616122 566167645 /nfs/dbraw/zinc/16/76/45/566167645.db2.gz ATXXSBKXJFRBEO-SECBINFHSA-N -1 3 387.139 3.034 20 0 GGADHM CC(C)(C)c1ncc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])cn1 ZINC000417623117 566168087 /nfs/dbraw/zinc/16/80/87/566168087.db2.gz JITLVEMWZGIDBQ-HNNXBMFYSA-N -1 3 392.297 3.322 20 0 GGADHM O=C([O-])CSCCNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000417619443 566168154 /nfs/dbraw/zinc/16/81/54/566168154.db2.gz KNSLROMTVAMLIC-UHFFFAOYSA-N -1 3 388.205 3.255 20 0 GGADHM COC[C@@H](NCc1ccc(OCc2ccccc2)c(Br)c1)C(=O)[O-] ZINC000417627574 566168207 /nfs/dbraw/zinc/16/82/07/566168207.db2.gz OLJGIZBVECIKGN-MRXNPFEDSA-N -1 3 394.265 3.217 20 0 GGADHM O=C([O-])[C@@H]1CC(=O)N(CCNCc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000417628591 566168417 /nfs/dbraw/zinc/16/84/17/566168417.db2.gz PLHWPKDHTLCHMU-CYBMUJFWSA-N -1 3 378.881 3.091 20 0 GGADHM Cc1cc(Br)cc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)c1OC(F)F ZINC000417628802 566168534 /nfs/dbraw/zinc/16/85/34/566168534.db2.gz WUBQMBRNNBZUEJ-SKDRFNHKSA-N -1 3 376.197 3.478 20 0 GGADHM CC[C@@H](CCC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000417628078 566168592 /nfs/dbraw/zinc/16/85/92/566168592.db2.gz UFVXFCCTCISESY-VIFPVBQESA-N -1 3 380.080 3.340 20 0 GGADHM CCOc1cccc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])n1 ZINC000417626734 566168777 /nfs/dbraw/zinc/16/87/77/566168777.db2.gz NLTMZPUQSYNBKY-OAHLLOKOSA-N -1 3 379.254 3.028 20 0 GGADHM O=C([O-])[C@H]1CC(=O)N(CCNCc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000417628592 566168819 /nfs/dbraw/zinc/16/88/19/566168819.db2.gz PLHWPKDHTLCHMU-ZDUSSCGKSA-N -1 3 378.881 3.091 20 0 GGADHM Cc1cc(Br)c(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])s1 ZINC000417621088 566169075 /nfs/dbraw/zinc/16/90/75/566169075.db2.gz KAQLJNPOCGSTLC-LLVKDONJSA-N -1 3 392.315 3.484 20 0 GGADHM CO[C@H](CNCc1ccc(OCc2ccccc2)c(Br)c1)C(=O)[O-] ZINC000417633332 566169688 /nfs/dbraw/zinc/16/96/88/566169688.db2.gz UBIMFYIUNYIAFS-QGZVFWFLSA-N -1 3 394.265 3.217 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCOC(C)C ZINC000181848065 566169915 /nfs/dbraw/zinc/16/99/15/566169915.db2.gz UQVQVEPLHYVMTI-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM C[C@H]([C@@H](NCc1ccc(F)cc1I)C(=O)[O-])C1CC1 ZINC000417642331 566170218 /nfs/dbraw/zinc/17/02/18/566170218.db2.gz VAXGSPRODLUMRZ-ISVAXAHUSA-N -1 3 377.197 3.019 20 0 GGADHM O=C([O-])[C@H](CNCc1ccc(Br)o1)Cc1cc(F)c(F)c(F)c1 ZINC000417639917 566170297 /nfs/dbraw/zinc/17/02/97/566170297.db2.gz VDNOIKAOMNUCCC-VIFPVBQESA-N -1 3 392.171 3.493 20 0 GGADHM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC000366808598 566170777 /nfs/dbraw/zinc/17/07/77/566170777.db2.gz UXAREFUGXVXLSF-CQSZACIVSA-N -1 3 382.844 3.255 20 0 GGADHM CC[C@@H](CCNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000417672713 566171026 /nfs/dbraw/zinc/17/10/26/566171026.db2.gz UFAKFHOHAWLSFN-QMMMGPOBSA-N -1 3 380.080 3.197 20 0 GGADHM COCc1noc([C@@H](C)Sc2n[n-]c(COc3ccc(Cl)cc3)n2)n1 ZINC000181886828 566171850 /nfs/dbraw/zinc/17/18/50/566171850.db2.gz IXUJNAJZOLWRGD-SECBINFHSA-N -1 3 381.845 3.420 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263121356 566173911 /nfs/dbraw/zinc/17/39/11/566173911.db2.gz CHCMNWUTDHGMOD-FXPVBKGRSA-N -1 3 378.778 3.338 20 0 GGADHM CCC(CC)(CNCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000263103967 566174526 /nfs/dbraw/zinc/17/45/26/566174526.db2.gz XJYBGVWFAYBFLT-UHFFFAOYSA-N -1 3 381.274 3.010 20 0 GGADHM Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000182102865 566182693 /nfs/dbraw/zinc/18/26/93/566182693.db2.gz LEZSFFDCEMNLMA-CYBMUJFWSA-N -1 3 381.523 3.021 20 0 GGADHM Cc1cc(=O)cc(C)n1CCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000290643741 566182794 /nfs/dbraw/zinc/18/27/94/566182794.db2.gz ZAGNOMQTOPBFEX-UHFFFAOYSA-N -1 3 393.281 3.030 20 0 GGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000263386779 566183222 /nfs/dbraw/zinc/18/32/22/566183222.db2.gz YETGVANQSHCRIN-GXTWGEPZSA-N -1 3 378.270 3.320 20 0 GGADHM Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000182102843 566183223 /nfs/dbraw/zinc/18/32/23/566183223.db2.gz LEZSFFDCEMNLMA-ZDUSSCGKSA-N -1 3 381.523 3.021 20 0 GGADHM CC(C)Sc1cccc(Cl)c1CN1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000263475530 566185830 /nfs/dbraw/zinc/18/58/30/566185830.db2.gz FGCYEZZAXPPZMW-AWEZNQCLSA-N -1 3 386.945 3.058 20 0 GGADHM COc1cc(CN(C)C[C@H](C)C(=O)[O-])cc(Br)c1OC(F)F ZINC000263467858 566186074 /nfs/dbraw/zinc/18/60/74/566186074.db2.gz DAAYSOILYHJIHY-QMMMGPOBSA-N -1 3 382.201 3.212 20 0 GGADHM O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(O)cc1[O-] ZINC000182156218 566187077 /nfs/dbraw/zinc/18/70/77/566187077.db2.gz GQPWPAQLWKQGLU-GFCCVEGCSA-N -1 3 391.265 3.117 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN(C)C[C@H](C)C(=O)[O-] ZINC000263521381 566189299 /nfs/dbraw/zinc/18/92/99/566189299.db2.gz RDALEUQRTSEMSR-NSHDSACASA-N -1 3 380.286 3.404 20 0 GGADHM O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(O)cc1[O-] ZINC000182225961 566190768 /nfs/dbraw/zinc/19/07/68/566190768.db2.gz RTPYVOUWZZPVGS-LBPRGKRZSA-N -1 3 391.265 3.117 20 0 GGADHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccsc2S1(=O)=O ZINC000290864363 566193633 /nfs/dbraw/zinc/19/36/33/566193633.db2.gz YZGQPCQYIWODKC-ZANVPECISA-N -1 3 389.420 3.402 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](c2ccccc2Br)C1 ZINC000182282426 566195171 /nfs/dbraw/zinc/19/51/71/566195171.db2.gz JMWUAOLQLAASRK-INIZCTEOSA-N -1 3 378.222 3.074 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000290913254 566195731 /nfs/dbraw/zinc/19/57/31/566195731.db2.gz WYKDTFGPQIYDPL-JTQLQIEISA-N -1 3 378.885 3.281 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c(Br)n1 ZINC000290995842 566199485 /nfs/dbraw/zinc/19/94/85/566199485.db2.gz UNDWVWZNWWWCME-UHFFFAOYSA-N -1 3 395.278 3.472 20 0 GGADHM O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000263907813 566199761 /nfs/dbraw/zinc/19/97/61/566199761.db2.gz IHDMZPHLYGLABV-UHFFFAOYSA-N -1 3 393.081 3.085 20 0 GGADHM CCOc1ccc(-c2nc(CC(=O)Nc3nnc(SC)[n-]3)cs2)cc1 ZINC000263890912 566200275 /nfs/dbraw/zinc/20/02/75/566200275.db2.gz ZZMQYSVZHWYZPC-UHFFFAOYSA-N -1 3 375.479 3.230 20 0 GGADHM CCOc1ccc(-c2nc(CC(=O)Nc3nc(SC)n[n-]3)cs2)cc1 ZINC000263890912 566200279 /nfs/dbraw/zinc/20/02/79/566200279.db2.gz ZZMQYSVZHWYZPC-UHFFFAOYSA-N -1 3 375.479 3.230 20 0 GGADHM CCOc1ccc(-c2nc(CC(=O)Nc3n[n-]c(SC)n3)cs2)cc1 ZINC000263890912 566200283 /nfs/dbraw/zinc/20/02/83/566200283.db2.gz ZZMQYSVZHWYZPC-UHFFFAOYSA-N -1 3 375.479 3.230 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000291017131 566200722 /nfs/dbraw/zinc/20/07/22/566200722.db2.gz MLVALXXXDQVDJD-HZPDHXFCSA-N -1 3 395.297 3.398 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000291017137 566200897 /nfs/dbraw/zinc/20/08/97/566200897.db2.gz MLVALXXXDQVDJD-JKSUJKDBSA-N -1 3 395.297 3.398 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc2cc(Cl)ccc2s1 ZINC000367421317 566200943 /nfs/dbraw/zinc/20/09/43/566200943.db2.gz AKBKINNOSPFDNL-CJNGLKHVSA-N -1 3 387.910 3.171 20 0 GGADHM CCOC(=O)c1cnc(C(=O)[N-]c2nc3c(s2)CSCC3)c(Cl)c1 ZINC000367519495 566204976 /nfs/dbraw/zinc/20/49/76/566204976.db2.gz OXQNKNNEWDNGFP-UHFFFAOYSA-N -1 3 383.882 3.410 20 0 GGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CCCc2ccccc2Cl)[n-]1 ZINC000182510223 566208697 /nfs/dbraw/zinc/20/86/97/566208697.db2.gz OFJBEIDONWKXCM-UHFFFAOYSA-N -1 3 394.802 3.402 20 0 GGADHM O=S(=O)([N-]c1ncccc1Br)c1ccc(OCC(F)F)cc1 ZINC000182539168 566210466 /nfs/dbraw/zinc/21/04/66/566210466.db2.gz IWVOHGYRBZWUSA-UHFFFAOYSA-N -1 3 393.209 3.289 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1nccs1 ZINC000264334422 566211844 /nfs/dbraw/zinc/21/18/44/566211844.db2.gz XMMJQICYBKIGRS-UHFFFAOYSA-N -1 3 393.412 3.105 20 0 GGADHM COc1cc(C(=O)[N-]c2nncn2-c2ccccc2)sc1Br ZINC000182609672 566214938 /nfs/dbraw/zinc/21/49/38/566214938.db2.gz HXSFIEZTKHUQKT-UHFFFAOYSA-N -1 3 379.239 3.352 20 0 GGADHM CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000264473074 566216291 /nfs/dbraw/zinc/21/62/91/566216291.db2.gz VHTZBGIKYNRQMV-LBPRGKRZSA-N -1 3 380.491 3.090 20 0 GGADHM COc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)c(Br)c1[O-] ZINC000291372266 566216697 /nfs/dbraw/zinc/21/66/97/566216697.db2.gz ZKVWRBBVEDIMHM-LJQANCHMSA-N -1 3 392.293 3.299 20 0 GGADHM COc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)c(Br)c1[O-] ZINC000291372264 566216826 /nfs/dbraw/zinc/21/68/26/566216826.db2.gz ZKVWRBBVEDIMHM-IBGZPJMESA-N -1 3 392.293 3.299 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nnc2n1CCCCC2 ZINC000264547199 566217786 /nfs/dbraw/zinc/21/77/86/566217786.db2.gz OGXRBSITZYMMDW-CYBMUJFWSA-N -1 3 386.880 3.227 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000182641805 566218206 /nfs/dbraw/zinc/21/82/06/566218206.db2.gz SSJJOGGBOAXYAX-CYBMUJFWSA-N -1 3 377.282 3.405 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nnc2n1CCCCC2 ZINC000264589674 566218541 /nfs/dbraw/zinc/21/85/41/566218541.db2.gz XOKYOBZFHSGIBS-GFCCVEGCSA-N -1 3 386.880 3.227 20 0 GGADHM C[C@@H]1CC(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C[C@@H](C)C1 ZINC000182746504 566222151 /nfs/dbraw/zinc/22/21/51/566222151.db2.gz JPPQNWOTVHKFAJ-KBPBESRZSA-N -1 3 384.567 3.090 20 0 GGADHM COc1cc(Br)c([N-]S(=O)(=O)c2cc(C)oc2C)cc1OC ZINC000182785708 566224393 /nfs/dbraw/zinc/22/43/93/566224393.db2.gz KQZVUNGJWUEPPC-UHFFFAOYSA-N -1 3 390.255 3.477 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C2CC2)s1 ZINC000264838562 566225075 /nfs/dbraw/zinc/22/50/75/566225075.db2.gz IFICQDCDLWSYLV-GOSISDBHSA-N -1 3 378.519 3.122 20 0 GGADHM FC(F)(F)c1[n-]c(=NCCCOC[C@@H]2CCCO2)sc1Br ZINC000418818713 566225231 /nfs/dbraw/zinc/22/52/31/566225231.db2.gz CGXYYWYFQNBMSB-QMMMGPOBSA-N -1 3 389.237 3.344 20 0 GGADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000182807182 566225333 /nfs/dbraw/zinc/22/53/33/566225333.db2.gz DQBQOLGJXHKWLG-SECBINFHSA-N -1 3 384.723 3.178 20 0 GGADHM O=C1CCCCN1CCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418872165 566226132 /nfs/dbraw/zinc/22/61/32/566226132.db2.gz WIZQKFKBIFVBOR-UHFFFAOYSA-N -1 3 386.237 3.161 20 0 GGADHM CC(C)Cc1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3F)nn2)s1 ZINC000182904032 566228400 /nfs/dbraw/zinc/22/84/00/566228400.db2.gz UQHZRGUMKWNJAO-UHFFFAOYSA-N -1 3 380.836 3.362 20 0 GGADHM CC(C)c1cnc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000182972253 566232853 /nfs/dbraw/zinc/23/28/53/566232853.db2.gz DGERCQDGECRAMR-UHFFFAOYSA-N -1 3 385.580 3.271 20 0 GGADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1 ZINC000265235918 566233142 /nfs/dbraw/zinc/23/31/42/566233142.db2.gz IIMCQCQPSOPOSL-XMMPIXPASA-N -1 3 381.519 3.401 20 0 GGADHM CCSc1ccccc1OS(=O)(=O)c1c[n-]c(C(=O)N2CCCC2)c1 ZINC000265249350 566233723 /nfs/dbraw/zinc/23/37/23/566233723.db2.gz NZHQLIZTZUFEFZ-UHFFFAOYSA-N -1 3 380.491 3.130 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C23CCC(CC2)C3)s1 ZINC000368239409 566233761 /nfs/dbraw/zinc/23/37/61/566233761.db2.gz ABCMUJIQLGVQST-UHFFFAOYSA-N -1 3 384.567 3.064 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000419412318 566233874 /nfs/dbraw/zinc/23/38/74/566233874.db2.gz QYMALENFYOHTDS-ZIAGYGMSSA-N -1 3 387.571 3.012 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1 ZINC000265244905 566233904 /nfs/dbraw/zinc/23/39/04/566233904.db2.gz HWABMIDRYMDHRP-DEOSSOPVSA-N -1 3 381.519 3.463 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)s1 ZINC000419412312 566234341 /nfs/dbraw/zinc/23/43/41/566234341.db2.gz QYMALENFYOHTDS-KBPBESRZSA-N -1 3 387.571 3.012 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291781398 566234528 /nfs/dbraw/zinc/23/45/28/566234528.db2.gz WYAHNVRTDYZNEA-BXKDBHETSA-N -1 3 387.470 3.100 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291781404 566234594 /nfs/dbraw/zinc/23/45/94/566234594.db2.gz WYAHNVRTDYZNEA-CABZTGNLSA-N -1 3 387.470 3.100 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1nc(C(F)(F)F)cs1 ZINC000183015435 566235167 /nfs/dbraw/zinc/23/51/67/566235167.db2.gz VBYMCLMVHNQCJS-SECBINFHSA-N -1 3 394.396 3.320 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCCN(C2CCC2)C1 ZINC000183035242 566235748 /nfs/dbraw/zinc/23/57/48/566235748.db2.gz QLEPAZJMJGWDQA-NEPJUHHUSA-N -1 3 376.444 3.035 20 0 GGADHM O=C(NCCNc1cccc(Br)c1)NCc1ccc([O-])c(F)c1 ZINC000183037248 566236104 /nfs/dbraw/zinc/23/61/04/566236104.db2.gz HNTGZOAGPWJSKQ-UHFFFAOYSA-N -1 3 382.233 3.205 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000291817214 566236147 /nfs/dbraw/zinc/23/61/47/566236147.db2.gz DWHGBTNYSVWHHU-UHFFFAOYSA-N -1 3 391.262 3.316 20 0 GGADHM Cc1cccc([O-])c1NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000183072182 566237399 /nfs/dbraw/zinc/23/73/99/566237399.db2.gz SQNRTZRFUWJAFF-UHFFFAOYSA-N -1 3 383.267 3.235 20 0 GGADHM CSC[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000265522917 566238480 /nfs/dbraw/zinc/23/84/80/566238480.db2.gz AHPXVVBMKKLMPV-LLVKDONJSA-N -1 3 385.917 3.157 20 0 GGADHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000368490812 566240380 /nfs/dbraw/zinc/24/03/80/566240380.db2.gz DHINSQQKSBCWFT-XJKSGUPXSA-N -1 3 385.291 3.454 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000183240581 566241401 /nfs/dbraw/zinc/24/14/01/566241401.db2.gz PXERZFRJPSIXQZ-OAHLLOKOSA-N -1 3 380.828 3.339 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(OCC2CC2)CC1 ZINC000368559070 566241707 /nfs/dbraw/zinc/24/17/07/566241707.db2.gz ZMZFUNQEFRYGSC-UHFFFAOYSA-N -1 3 383.286 3.255 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000265812670 566241857 /nfs/dbraw/zinc/24/18/57/566241857.db2.gz QEXWZWKNYNNYLR-UHFFFAOYSA-N -1 3 381.807 3.232 20 0 GGADHM O=C([N-]OCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000368566365 566241975 /nfs/dbraw/zinc/24/19/75/566241975.db2.gz KTQIWVDQHFLEDQ-JTQLQIEISA-N -1 3 399.196 3.456 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000183270293 566242648 /nfs/dbraw/zinc/24/26/48/566242648.db2.gz NDYVSVBTQPKKOH-CYBMUJFWSA-N -1 3 393.212 3.285 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000183269501 566242687 /nfs/dbraw/zinc/24/26/87/566242687.db2.gz YPWMFKIKMQGGTH-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(CC(C)(C)C)CC(C)(C)C)s1 ZINC000183291507 566242897 /nfs/dbraw/zinc/24/28/97/566242897.db2.gz WOKOOGRVUHWILJ-UHFFFAOYSA-N -1 3 389.587 3.260 20 0 GGADHM CCOC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2Br)n[n-]1 ZINC000183287758 566243009 /nfs/dbraw/zinc/24/30/09/566243009.db2.gz ABUQICAUOLCTJA-UHFFFAOYSA-N -1 3 386.633 3.184 20 0 GGADHM CCOC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2Br)[n-]n1 ZINC000183287758 566243013 /nfs/dbraw/zinc/24/30/13/566243013.db2.gz ABUQICAUOLCTJA-UHFFFAOYSA-N -1 3 386.633 3.184 20 0 GGADHM C[C@H](CC[N-]S(=O)(=O)c1sccc1Br)N1CCCCC1 ZINC000183286919 566243041 /nfs/dbraw/zinc/24/30/41/566243041.db2.gz ULZUHCSOZYGSFK-LLVKDONJSA-N -1 3 381.361 3.053 20 0 GGADHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000183317427 566243555 /nfs/dbraw/zinc/24/35/55/566243555.db2.gz JCPOIHXUAHKSOW-UWVGGRQHSA-N -1 3 388.536 3.046 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)cc1Cl ZINC000183308939 566243559 /nfs/dbraw/zinc/24/35/59/566243559.db2.gz QIORULQZOXZKSG-AWEZNQCLSA-N -1 3 392.880 3.062 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000183309377 566243672 /nfs/dbraw/zinc/24/36/72/566243672.db2.gz YZXLMEXRHXVYRZ-ZDUSSCGKSA-N -1 3 392.315 3.082 20 0 GGADHM CSCc1cnc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000419745406 566243720 /nfs/dbraw/zinc/24/37/20/566243720.db2.gz ADCWBXJGHPYNIB-UHFFFAOYSA-N -1 3 387.527 3.198 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C(C)(C)O1 ZINC000183317328 566243793 /nfs/dbraw/zinc/24/37/93/566243793.db2.gz RXDPFRNFHYXKNL-LBPRGKRZSA-N -1 3 380.279 3.213 20 0 GGADHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000183317390 566243845 /nfs/dbraw/zinc/24/38/45/566243845.db2.gz JCPOIHXUAHKSOW-VHSXEESVSA-N -1 3 388.536 3.046 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cnn(C)c2C)c(Cl)c1Cl ZINC000266074641 566245792 /nfs/dbraw/zinc/24/57/92/566245792.db2.gz APPHGHDXLQTYEH-QMMMGPOBSA-N -1 3 378.281 3.083 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000183402489 566246159 /nfs/dbraw/zinc/24/61/59/566246159.db2.gz SNFSTKXRSPZGPE-VIFPVBQESA-N -1 3 389.246 3.031 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc3cc(Br)ccc3[nH]2)c(=O)[n-]1 ZINC000266320789 566248907 /nfs/dbraw/zinc/24/89/07/566248907.db2.gz RABVXVKBABBHNZ-UHFFFAOYSA-N -1 3 390.241 3.009 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc3ccc(Br)cc3[nH]2)c(=O)[n-]1 ZINC000266320789 566248908 /nfs/dbraw/zinc/24/89/08/566248908.db2.gz RABVXVKBABBHNZ-UHFFFAOYSA-N -1 3 390.241 3.009 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)CCCC(C)C)c1OC ZINC000508897965 566250964 /nfs/dbraw/zinc/25/09/64/566250964.db2.gz ZLSZZXDJMPWLFK-GFCCVEGCSA-N -1 3 390.933 3.201 20 0 GGADHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC1 ZINC000462125069 566251065 /nfs/dbraw/zinc/25/10/65/566251065.db2.gz ALRFLANLZNWPLD-AWEZNQCLSA-N -1 3 396.734 3.337 20 0 GGADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)cc1 ZINC000462125286 566251311 /nfs/dbraw/zinc/25/13/11/566251311.db2.gz JKFXVNWTUAYXNU-UHFFFAOYSA-N -1 3 379.865 3.291 20 0 GGADHM COC(=O)c1cc(Br)cc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000462123371 566251399 /nfs/dbraw/zinc/25/13/99/566251399.db2.gz XJSRGLPFPGQRHP-UHFFFAOYSA-N -1 3 382.185 3.010 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462129843 566252130 /nfs/dbraw/zinc/25/21/30/566252130.db2.gz HHRRFZIXEILMPU-WFASDCNBSA-N -1 3 391.436 3.211 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1cccc(Cl)c1F ZINC000462130392 566252552 /nfs/dbraw/zinc/25/25/52/566252552.db2.gz JALZAYSDHMGLNO-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM CC(=O)N[C@H](C(=O)[N-]c1cc(-c2ccc(Br)o2)no1)C(C)(C)C ZINC000419924020 566252669 /nfs/dbraw/zinc/25/26/69/566252669.db2.gz MJEJWRWOYDVUAB-CYBMUJFWSA-N -1 3 384.230 3.186 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cn1)c1cccs1 ZINC000462133068 566252826 /nfs/dbraw/zinc/25/28/26/566252826.db2.gz IAIZRMVHKIJCNO-UHFFFAOYSA-N -1 3 375.313 3.162 20 0 GGADHM COCCOCc1ccc(C[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000462133368 566253132 /nfs/dbraw/zinc/25/31/32/566253132.db2.gz YRZYYBZQJJBRQQ-UHFFFAOYSA-N -1 3 381.519 3.050 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCSc4ccccc43)cnc2c1Cl ZINC000534745282 566253399 /nfs/dbraw/zinc/25/33/99/566253399.db2.gz PXODHKWRUOAMGE-CYBMUJFWSA-N -1 3 394.909 3.207 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)Oc1ccccc1 ZINC000462131260 566253692 /nfs/dbraw/zinc/25/36/92/566253692.db2.gz RFZWFQKWHJYQBA-NSHDSACASA-N -1 3 388.258 3.334 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000462131414 566253722 /nfs/dbraw/zinc/25/37/22/566253722.db2.gz AOCIEWKULVAAJF-GJZGRUSLSA-N -1 3 381.295 3.459 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(Br)cc2cccnc21 ZINC000534765805 566254222 /nfs/dbraw/zinc/25/42/22/566254222.db2.gz KSXHVFZHVQNMDK-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(Br)cc2cccnc21 ZINC000534765805 566254229 /nfs/dbraw/zinc/25/42/29/566254229.db2.gz KSXHVFZHVQNMDK-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(Br)cc2cccnc21 ZINC000534765805 566254234 /nfs/dbraw/zinc/25/42/34/566254234.db2.gz KSXHVFZHVQNMDK-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419954308 566254902 /nfs/dbraw/zinc/25/49/02/566254902.db2.gz QXDYSPAGDRFYFT-SECBINFHSA-N -1 3 396.241 3.331 20 0 GGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462152311 566255317 /nfs/dbraw/zinc/25/53/17/566255317.db2.gz SODQBMAFPHHXMU-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)s1 ZINC000624896563 566255631 /nfs/dbraw/zinc/25/56/31/566255631.db2.gz SVGIEWZWPIOAIX-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)ccc2s1 ZINC000481838912 566255731 /nfs/dbraw/zinc/25/57/31/566255731.db2.gz BPKIVHAFOOPJDG-UHFFFAOYSA-N -1 3 399.387 3.257 20 0 GGADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1ccc(Br)cn1 ZINC000462146841 566255851 /nfs/dbraw/zinc/25/58/51/566255851.db2.gz DJVVZZXRVYNRKS-UHFFFAOYSA-N -1 3 399.335 3.447 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)cc1F ZINC000444876053 566255868 /nfs/dbraw/zinc/25/58/68/566255868.db2.gz RNLFQSWOWSTOKC-MRVPVSSYSA-N -1 3 377.846 3.367 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462151474 566256332 /nfs/dbraw/zinc/25/63/32/566256332.db2.gz PBFRDZMVQGQPBM-LBPRGKRZSA-N -1 3 395.388 3.362 20 0 GGADHM COCCOc1cc(C(=O)[N-]c2nc(SC)ns2)nc2ccccc21 ZINC000534804732 566256494 /nfs/dbraw/zinc/25/64/94/566256494.db2.gz RVIBJBPDYOYXSB-UHFFFAOYSA-N -1 3 376.463 3.086 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000534829546 566257289 /nfs/dbraw/zinc/25/72/89/566257289.db2.gz NJVJURROXSSETG-LBPRGKRZSA-N -1 3 387.832 3.455 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1F ZINC000481863410 566257545 /nfs/dbraw/zinc/25/75/45/566257545.db2.gz HTGPQVSZBABSMO-UHFFFAOYSA-N -1 3 385.800 3.001 20 0 GGADHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000534817974 566258559 /nfs/dbraw/zinc/25/85/59/566258559.db2.gz OPKBJUFIKDVSAY-SECBINFHSA-N -1 3 387.807 3.226 20 0 GGADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(N=c2[nH]c3ccccc3s2)c1 ZINC000509073325 566259011 /nfs/dbraw/zinc/25/90/11/566259011.db2.gz ABHKDZIXEHTZJA-GFCCVEGCSA-N -1 3 377.491 3.238 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)ccc1F ZINC000481883234 566259207 /nfs/dbraw/zinc/25/92/07/566259207.db2.gz IAKPFBYUUXTQCW-UHFFFAOYSA-N -1 3 384.816 3.173 20 0 GGADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000481883231 566259374 /nfs/dbraw/zinc/25/93/74/566259374.db2.gz HYVBZMVKWOSZSR-UHFFFAOYSA-N -1 3 380.853 3.058 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cccc(Br)c1F ZINC000575215836 566260521 /nfs/dbraw/zinc/26/05/21/566260521.db2.gz AJRGIDXJUYQPBC-UHFFFAOYSA-N -1 3 399.285 3.341 20 0 GGADHM O=C(CSc1cccc(C(F)(F)F)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481887166 566260712 /nfs/dbraw/zinc/26/07/12/566260712.db2.gz CGYAKBTXZUPPGO-UHFFFAOYSA-N -1 3 384.305 3.251 20 0 GGADHM O=C(CSc1cccc(C(F)(F)F)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481887166 566260719 /nfs/dbraw/zinc/26/07/19/566260719.db2.gz CGYAKBTXZUPPGO-UHFFFAOYSA-N -1 3 384.305 3.251 20 0 GGADHM O=C(CSc1cccc(C(F)(F)F)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481887166 566260722 /nfs/dbraw/zinc/26/07/22/566260722.db2.gz CGYAKBTXZUPPGO-UHFFFAOYSA-N -1 3 384.305 3.251 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000481888301 566261098 /nfs/dbraw/zinc/26/10/98/566261098.db2.gz FDPAXPFJNVUTKZ-UHFFFAOYSA-N -1 3 375.763 3.464 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000481888301 566261104 /nfs/dbraw/zinc/26/11/04/566261104.db2.gz FDPAXPFJNVUTKZ-UHFFFAOYSA-N -1 3 375.763 3.464 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000481888301 566261108 /nfs/dbraw/zinc/26/11/08/566261108.db2.gz FDPAXPFJNVUTKZ-UHFFFAOYSA-N -1 3 375.763 3.464 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c(Cl)c1Cl ZINC000462184227 566261395 /nfs/dbraw/zinc/26/13/95/566261395.db2.gz WRFZECZYMYBKLO-UHFFFAOYSA-N -1 3 390.244 3.209 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)cc1F ZINC000444984022 566262609 /nfs/dbraw/zinc/26/26/09/566262609.db2.gz SJJUEASUYPLVKU-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM Cc1nn(C)c(C)c1[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(F)(F)F ZINC000509108231 566262823 /nfs/dbraw/zinc/26/28/23/566262823.db2.gz BLTFPKPDZAWEIS-HNNXBMFYSA-N -1 3 375.778 3.358 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509101832 566262960 /nfs/dbraw/zinc/26/29/60/566262960.db2.gz AQVNGNUUAMNLEA-UHFFFAOYSA-N -1 3 375.837 3.049 20 0 GGADHM C[C@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)s1 ZINC000481903693 566263361 /nfs/dbraw/zinc/26/33/61/566263361.db2.gz XUQSILYCMCYOSV-YFKPBYRVSA-N -1 3 383.193 3.067 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccccn1)Sc1ccc(Br)cc1 ZINC000555963760 566263471 /nfs/dbraw/zinc/26/34/71/566263471.db2.gz LFCYOTQUCMTLRP-LLVKDONJSA-N -1 3 387.324 3.303 20 0 GGADHM C[C@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)s1 ZINC000481903693 566263365 /nfs/dbraw/zinc/26/33/65/566263365.db2.gz XUQSILYCMCYOSV-YFKPBYRVSA-N -1 3 383.193 3.067 20 0 GGADHM C[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)s1 ZINC000481903693 566263366 /nfs/dbraw/zinc/26/33/66/566263366.db2.gz XUQSILYCMCYOSV-YFKPBYRVSA-N -1 3 383.193 3.067 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2Cl)cc1F ZINC000445043629 566263847 /nfs/dbraw/zinc/26/38/47/566263847.db2.gz YFMNUZBLXDTQIO-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc(Br)c1 ZINC000481922443 566265056 /nfs/dbraw/zinc/26/50/56/566265056.db2.gz YKWGHLGJCCJQLX-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)cc1F ZINC000445030365 566264001 /nfs/dbraw/zinc/26/40/01/566264001.db2.gz DUBQTVKTDHVYDP-INIZCTEOSA-N -1 3 383.828 3.232 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)cc(Br)c1 ZINC000481922443 566265058 /nfs/dbraw/zinc/26/50/58/566265058.db2.gz YKWGHLGJCCJQLX-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(Br)c1 ZINC000481922443 566265061 /nfs/dbraw/zinc/26/50/61/566265061.db2.gz YKWGHLGJCCJQLX-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000624978324 566264709 /nfs/dbraw/zinc/26/47/09/566264709.db2.gz QPFHZVWPYBCSCY-UHFFFAOYSA-N -1 3 391.262 3.487 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccn(C(C)C)n1 ZINC000624986248 566264782 /nfs/dbraw/zinc/26/47/82/566264782.db2.gz FPEIOUWDBUMTHG-UHFFFAOYSA-N -1 3 390.278 3.153 20 0 GGADHM CC[C@@H](C)N(C)CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481931171 566265876 /nfs/dbraw/zinc/26/58/76/566265876.db2.gz YZUDTBRIMPTCMU-SNVBAGLBSA-N -1 3 385.896 3.271 20 0 GGADHM O=C(N=c1[n-]nc(-c2c(F)cccc2Cl)s1)NCCN1CCCCC1 ZINC000481934488 566267261 /nfs/dbraw/zinc/26/72/61/566267261.db2.gz UNAQEOLTDHVCHU-UHFFFAOYSA-N -1 3 383.880 3.027 20 0 GGADHM Cc1ccc(C)c2sc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)nc21 ZINC000599479298 566267743 /nfs/dbraw/zinc/26/77/43/566267743.db2.gz GEQCYZXFAFBSTO-UHFFFAOYSA-N -1 3 395.531 3.477 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCN(C3CC3)CC2)c1Cl ZINC000445075177 566267801 /nfs/dbraw/zinc/26/78/01/566267801.db2.gz CGLFYDDHWXUSNM-UHFFFAOYSA-N -1 3 377.337 3.455 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000509144430 566268152 /nfs/dbraw/zinc/26/81/52/566268152.db2.gz PSEPNTGGMPWNJW-GFCCVEGCSA-N -1 3 379.243 3.163 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000534980094 566268590 /nfs/dbraw/zinc/26/85/90/566268590.db2.gz JFWWUGJRDHJHDC-ZETCQYMHSA-N -1 3 382.795 3.079 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000534978291 566269316 /nfs/dbraw/zinc/26/93/16/566269316.db2.gz PJAGCAWLCHYSKL-SECBINFHSA-N -1 3 377.297 3.416 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)c1ccncc1 ZINC000625046230 566270355 /nfs/dbraw/zinc/27/03/55/566270355.db2.gz GVFRQDLZKPMBLG-LLVKDONJSA-N -1 3 387.274 3.374 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)s1 ZINC000462259305 566270561 /nfs/dbraw/zinc/27/05/61/566270561.db2.gz RNXDQTRSSZEAGO-UHFFFAOYSA-N -1 3 389.340 3.364 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000462255258 566270575 /nfs/dbraw/zinc/27/05/75/566270575.db2.gz LAWGZELMUKCKNH-UHFFFAOYSA-N -1 3 389.702 3.409 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCC1)c1ccc(Br)c(F)c1 ZINC000462267810 566272325 /nfs/dbraw/zinc/27/23/25/566272325.db2.gz JRSZBAOOLXCTOU-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 ZINC000462276997 566273113 /nfs/dbraw/zinc/27/31/13/566273113.db2.gz ZLUVDYNUCHRMTD-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)s1 ZINC000462274721 566273178 /nfs/dbraw/zinc/27/31/78/566273178.db2.gz DXSQIHRPJZYMLI-LLVKDONJSA-N -1 3 393.372 3.114 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)cc1F ZINC000462274612 566273377 /nfs/dbraw/zinc/27/33/77/566273377.db2.gz HRUYYOOVCIPOLM-CYBMUJFWSA-N -1 3 375.343 3.354 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(C)(C)C ZINC000462278981 566273398 /nfs/dbraw/zinc/27/33/98/566273398.db2.gz OAYZVNGKGGZTRY-CYBMUJFWSA-N -1 3 392.315 3.339 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCOC(C)(C)C1 ZINC000625086785 566273840 /nfs/dbraw/zinc/27/38/40/566273840.db2.gz REYQDUSYYSTTAM-SNVBAGLBSA-N -1 3 380.279 3.133 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000556176195 566274175 /nfs/dbraw/zinc/27/41/75/566274175.db2.gz QWSKZQGLFLISJM-OAQYLSRUSA-N -1 3 379.290 3.068 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000462289827 566274807 /nfs/dbraw/zinc/27/48/07/566274807.db2.gz BUJBUGHVGQTZFV-CYBMUJFWSA-N -1 3 389.807 3.429 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2sc(C)nc2C)s1 ZINC000462295147 566276548 /nfs/dbraw/zinc/27/65/48/566276548.db2.gz XLAMWKDSPGCXPA-UHFFFAOYSA-N -1 3 395.369 3.413 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccc(F)cc1 ZINC000462290766 566276948 /nfs/dbraw/zinc/27/69/48/566276948.db2.gz DSRDZCHBHMYUDA-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc([O-])ccc1Cl ZINC000625115527 566277120 /nfs/dbraw/zinc/27/71/20/566277120.db2.gz DLNZDSZMCKHYPZ-UHFFFAOYSA-N -1 3 383.897 3.350 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)C)C1 ZINC000625106859 566277162 /nfs/dbraw/zinc/27/71/62/566277162.db2.gz POEAONPCBUJSDW-RISCZKNCSA-N -1 3 394.306 3.379 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000625106857 566277849 /nfs/dbraw/zinc/27/78/49/566277849.db2.gz POEAONPCBUJSDW-BXUZGUMPSA-N -1 3 394.306 3.379 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)s1 ZINC000625118439 566278012 /nfs/dbraw/zinc/27/80/12/566278012.db2.gz IWGIFBTYDPCPCB-ZETCQYMHSA-N -1 3 394.291 3.096 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(F)c(Br)cc2C)CCOCC1 ZINC000625109751 566278173 /nfs/dbraw/zinc/27/81/73/566278173.db2.gz SUSIATXABFWXOI-UHFFFAOYSA-N -1 3 380.279 3.134 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000575634515 566279104 /nfs/dbraw/zinc/27/91/04/566279104.db2.gz YQRGEJCYSCYMHU-DZGCQCFKSA-N -1 3 398.937 3.132 20 0 GGADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000625124593 566279623 /nfs/dbraw/zinc/27/96/23/566279623.db2.gz ZNNBZJCOQWGUAI-NSHDSACASA-N -1 3 393.353 3.228 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C12CCC2 ZINC000462305627 566279980 /nfs/dbraw/zinc/27/99/80/566279980.db2.gz LJKVUMSFFRPWLK-HUUCEWRRSA-N -1 3 378.519 3.436 20 0 GGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462312775 566280164 /nfs/dbraw/zinc/28/01/64/566280164.db2.gz DPSPZWNGZAEMJH-UHFFFAOYSA-N -1 3 392.315 3.483 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cncc(Br)c1)c1nc(C)cs1 ZINC000462312749 566280286 /nfs/dbraw/zinc/28/02/86/566280286.db2.gz DLLRNTQBQBWKOT-CYBMUJFWSA-N -1 3 390.328 3.213 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C)cc1 ZINC000462312680 566280351 /nfs/dbraw/zinc/28/03/51/566280351.db2.gz KIICSGUEGJSZTI-LSDHHAIUSA-N -1 3 388.555 3.038 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C12CCC2 ZINC000462305628 566280453 /nfs/dbraw/zinc/28/04/53/566280453.db2.gz LJKVUMSFFRPWLK-LSDHHAIUSA-N -1 3 378.519 3.436 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000482068675 566280678 /nfs/dbraw/zinc/28/06/78/566280678.db2.gz AQSFDDSXIBKZNG-LSDHHAIUSA-N -1 3 389.228 3.335 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000482068673 566281209 /nfs/dbraw/zinc/28/12/09/566281209.db2.gz AQSFDDSXIBKZNG-GJZGRUSLSA-N -1 3 389.228 3.335 20 0 GGADHM CS[C@H]1CCCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482075305 566281279 /nfs/dbraw/zinc/28/12/79/566281279.db2.gz CPARWLSSLWUUBV-ZDUSSCGKSA-N -1 3 383.315 3.268 20 0 GGADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000462317506 566281412 /nfs/dbraw/zinc/28/14/12/566281412.db2.gz BQYJXCCDHQENOQ-GFCCVEGCSA-N -1 3 399.310 3.325 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C12CCC2 ZINC000462318971 566281637 /nfs/dbraw/zinc/28/16/37/566281637.db2.gz GERBINVBYLKDHJ-UONOGXRCSA-N -1 3 392.290 3.214 20 0 GGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509241522 566282000 /nfs/dbraw/zinc/28/20/00/566282000.db2.gz UYDGGRSKNRIZHR-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM CCn1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(C(F)(F)F)n1 ZINC000648431903 566282324 /nfs/dbraw/zinc/28/23/24/566282324.db2.gz IRICOEYNAWFVCM-UHFFFAOYSA-N -1 3 389.687 3.008 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1cc(F)cc(Cl)c1 ZINC000535155991 566282485 /nfs/dbraw/zinc/28/24/85/566282485.db2.gz IHWCPTGIBVQTIY-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1scnc1C(F)(F)F ZINC000648431454 566282427 /nfs/dbraw/zinc/28/24/27/566282427.db2.gz XFVMDNMYDIEKIK-UHFFFAOYSA-N -1 3 378.685 3.248 20 0 GGADHM Cc1ccc2c(c1)CCN(C(=O)N=c1cc3ccc(Br)cn3[n-]1)C2 ZINC000482085268 566282563 /nfs/dbraw/zinc/28/25/63/566282563.db2.gz SDBXAPUZHAEELJ-UHFFFAOYSA-N -1 3 385.265 3.417 20 0 GGADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1OCCc2sccc21 ZINC000648431237 566282531 /nfs/dbraw/zinc/28/25/31/566282531.db2.gz NKKZPYGDJRHMFS-PRHODGIISA-N -1 3 393.818 3.471 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c1 ZINC000535155237 566282728 /nfs/dbraw/zinc/28/27/28/566282728.db2.gz AOWXNVYCUJEGLY-UHFFFAOYSA-N -1 3 384.860 3.321 20 0 GGADHM CO[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482082616 566282685 /nfs/dbraw/zinc/28/26/85/566282685.db2.gz YQOZBIAPZPLVIN-HNNXBMFYSA-N -1 3 389.253 3.028 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C12CCC2 ZINC000462321699 566283074 /nfs/dbraw/zinc/28/30/74/566283074.db2.gz NWRSGSMCKJDSJH-VHSXEESVSA-N -1 3 380.329 3.137 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCC2 ZINC000462323635 566283348 /nfs/dbraw/zinc/28/33/48/566283348.db2.gz DBPDXVHDHRTYBZ-UONOGXRCSA-N -1 3 381.391 3.471 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000509247612 566283634 /nfs/dbraw/zinc/28/36/34/566283634.db2.gz OEJLGSIQKYTDMB-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000509247612 566283640 /nfs/dbraw/zinc/28/36/40/566283640.db2.gz OEJLGSIQKYTDMB-UHFFFAOYSA-N -1 3 388.225 3.199 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C12CCC2 ZINC000462327225 566283578 /nfs/dbraw/zinc/28/35/78/566283578.db2.gz NNEWIHXTUBPLFY-UONOGXRCSA-N -1 3 392.290 3.214 20 0 GGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509256704 566283969 /nfs/dbraw/zinc/28/39/69/566283969.db2.gz UYDGGRSKNRIZHR-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000462328631 566284201 /nfs/dbraw/zinc/28/42/01/566284201.db2.gz SKCQZGXQLKISSL-RYUDHWBXSA-N -1 3 394.356 3.445 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(F)(F)F ZINC000482128001 566284353 /nfs/dbraw/zinc/28/43/53/566284353.db2.gz FVBRJUBMXPYKFI-UHFFFAOYSA-N -1 3 398.756 3.131 20 0 GGADHM CO[C@](C)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1F ZINC000648432250 566284595 /nfs/dbraw/zinc/28/45/95/566284595.db2.gz VGNBXPZKZNSZCT-AWEZNQCLSA-N -1 3 379.741 3.160 20 0 GGADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113538 566284686 /nfs/dbraw/zinc/28/46/86/566284686.db2.gz LJTMXHPVMBBPBR-GZMMTYOYSA-N -1 3 391.191 3.323 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1C ZINC000625158397 566285037 /nfs/dbraw/zinc/28/50/37/566285037.db2.gz HGCNIKAYAZWBFK-GFCCVEGCSA-N -1 3 385.770 3.103 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000462328630 566284988 /nfs/dbraw/zinc/28/49/88/566284988.db2.gz SKCQZGXQLKISSL-NWDGAFQWSA-N -1 3 394.356 3.445 20 0 GGADHM Cc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cnn1CCC(C)C ZINC000648432327 566285149 /nfs/dbraw/zinc/28/51/49/566285149.db2.gz XYYBNMFVSOYIKT-UHFFFAOYSA-N -1 3 377.798 3.324 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C12CCC2 ZINC000462328345 566285041 /nfs/dbraw/zinc/28/50/41/566285041.db2.gz ROQFIMWIOPXGPA-KGLIPLIRSA-N -1 3 392.290 3.214 20 0 GGADHM C[C@@H](C(=O)N=c1[n-]n(C)cc1Br)c1ccccc1C(F)(F)F ZINC000648439489 566285299 /nfs/dbraw/zinc/28/52/99/566285299.db2.gz QYBPOQRTWYLOOD-MRVPVSSYSA-N -1 3 376.176 3.366 20 0 GGADHM Cc1cc(Br)oc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432701 566285518 /nfs/dbraw/zinc/28/55/18/566285518.db2.gz FNDWPBCMXFLCHL-UHFFFAOYSA-N -1 3 386.555 3.437 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C[C@H]4CCCCO4)n3)[n-]2)c1 ZINC000556329337 566285594 /nfs/dbraw/zinc/28/55/94/566285594.db2.gz OOGWRLWWOHDEOZ-GFCCVEGCSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C[C@H]4CCCCO4)n3)n2)c1 ZINC000556329337 566285601 /nfs/dbraw/zinc/28/56/01/566285601.db2.gz OOGWRLWWOHDEOZ-GFCCVEGCSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C[C@H]4CCCCO4)n3)n[n-]2)c1 ZINC000556329337 566285609 /nfs/dbraw/zinc/28/56/09/566285609.db2.gz OOGWRLWWOHDEOZ-GFCCVEGCSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C[C@@H]4CCCCO4)n3)[n-]2)c1 ZINC000556329338 566285750 /nfs/dbraw/zinc/28/57/50/566285750.db2.gz OOGWRLWWOHDEOZ-LBPRGKRZSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C[C@@H]4CCCCO4)n3)n2)c1 ZINC000556329338 566285756 /nfs/dbraw/zinc/28/57/56/566285756.db2.gz OOGWRLWWOHDEOZ-LBPRGKRZSA-N -1 3 390.241 3.396 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C[C@@H]4CCCCO4)n3)n[n-]2)c1 ZINC000556329338 566285759 /nfs/dbraw/zinc/28/57/59/566285759.db2.gz OOGWRLWWOHDEOZ-LBPRGKRZSA-N -1 3 390.241 3.396 20 0 GGADHM CCC(CC)(NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000556323589 566285925 /nfs/dbraw/zinc/28/59/25/566285925.db2.gz ZAPCOYNXJQCZOP-UHFFFAOYSA-N -1 3 380.080 3.340 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CSc2ccccc21 ZINC000482136191 566286964 /nfs/dbraw/zinc/28/69/64/566286964.db2.gz AMVBAXUANMWGOX-ZDUSSCGKSA-N -1 3 389.278 3.487 20 0 GGADHM O=C1[N-]C(=O)c2cc(NCc3cnn(-c4ccc(Br)cc4)c3)ccc21 ZINC000556338020 566287605 /nfs/dbraw/zinc/28/76/05/566287605.db2.gz DIJCZJAOPBKSAT-UHFFFAOYSA-N -1 3 397.232 3.131 20 0 GGADHM O=S(=O)([N-][C@@H](Cc1ccccc1)C1CC1)c1ccc(Br)cn1 ZINC000462340225 566287746 /nfs/dbraw/zinc/28/77/46/566287746.db2.gz LBIXTXQHWWBIBT-HNNXBMFYSA-N -1 3 381.295 3.144 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC[C@H]1CCc2ccccc21 ZINC000482169640 566288083 /nfs/dbraw/zinc/28/80/83/566288083.db2.gz NGAVYQZSPNBDQC-CYBMUJFWSA-N -1 3 385.265 3.370 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCc2ccccc2C1 ZINC000482156123 566288124 /nfs/dbraw/zinc/28/81/24/566288124.db2.gz CSHDKYXIWOAQQT-OAHLLOKOSA-N -1 3 385.265 3.198 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC[C@@H]1CCc2ccccc21 ZINC000482169641 566288277 /nfs/dbraw/zinc/28/82/77/566288277.db2.gz NGAVYQZSPNBDQC-ZDUSSCGKSA-N -1 3 385.265 3.370 20 0 GGADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)s1 ZINC000462342319 566288273 /nfs/dbraw/zinc/28/82/73/566288273.db2.gz BAORRONZKAOPNP-SECBINFHSA-N -1 3 375.313 3.124 20 0 GGADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc2n[nH]cc2c1 ZINC000482162247 566288367 /nfs/dbraw/zinc/28/83/67/566288367.db2.gz ZEJUDMGOJWWZRF-SNVBAGLBSA-N -1 3 399.252 3.278 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCc2c(F)cccc2C1 ZINC000482155652 566288550 /nfs/dbraw/zinc/28/85/50/566288550.db2.gz BUDVSSGRFPCKLD-UHFFFAOYSA-N -1 3 389.228 3.248 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCc2ccccc2C1 ZINC000482156122 566289209 /nfs/dbraw/zinc/28/92/09/566289209.db2.gz CSHDKYXIWOAQQT-HNNXBMFYSA-N -1 3 385.265 3.198 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 ZINC000462346172 566289401 /nfs/dbraw/zinc/28/94/01/566289401.db2.gz KBNNJXPOOHWODG-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]Cc2cnc(-c3ccc(Cl)cc3)s2)nc1C ZINC000556357196 566290320 /nfs/dbraw/zinc/29/03/20/566290320.db2.gz AAUVPUDNTLZTMT-UHFFFAOYSA-N -1 3 396.925 3.467 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]Cc1ccc(-c2nc3ccccc3s2)o1)OC ZINC000420644039 566290359 /nfs/dbraw/zinc/29/03/59/566290359.db2.gz GWUQZVGNCOCFQB-GFCCVEGCSA-N -1 3 380.491 3.401 20 0 GGADHM [O-]c1cccnc1CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000575837336 566290593 /nfs/dbraw/zinc/29/05/93/566290593.db2.gz WQKUBCIGVKFGRV-UHFFFAOYSA-N -1 3 380.261 3.007 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1OCC1CC1)c1ccc(Br)cn1 ZINC000462356692 566291247 /nfs/dbraw/zinc/29/12/47/566291247.db2.gz KWAURXQIIRGPCV-UHFFFAOYSA-N -1 3 397.294 3.111 20 0 GGADHM O=S(=O)([N-]CCCOC1CCCCC1)c1cc(F)ccc1OC(F)F ZINC000420639794 566291342 /nfs/dbraw/zinc/29/13/42/566291342.db2.gz AHHBRQZBMIXTGW-UHFFFAOYSA-N -1 3 381.416 3.445 20 0 GGADHM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599731793 566291537 /nfs/dbraw/zinc/29/15/37/566291537.db2.gz FHXGQLMBBUNYHS-GFCCVEGCSA-N -1 3 384.270 3.206 20 0 GGADHM CS[C@@H]1CCC[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482202961 566292241 /nfs/dbraw/zinc/29/22/41/566292241.db2.gz XDZZBUKPAHHODS-WCQYABFASA-N -1 3 383.315 3.314 20 0 GGADHM COc1ccccc1[C@H](C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482207053 566292263 /nfs/dbraw/zinc/29/22/63/566292263.db2.gz HALJVNQKPXGRFI-NSHDSACASA-N -1 3 389.253 3.410 20 0 GGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000556376644 566292393 /nfs/dbraw/zinc/29/23/93/566292393.db2.gz UQRZZLCVOLXRFW-MNOVXSKESA-N -1 3 377.890 3.238 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)cs1 ZINC000420659809 566292656 /nfs/dbraw/zinc/29/26/56/566292656.db2.gz FIKRXIIWATUQOY-UHFFFAOYSA-N -1 3 396.868 3.481 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCCC1 ZINC000420652666 566292837 /nfs/dbraw/zinc/29/28/37/566292837.db2.gz VJTTZRYZLUILBT-UHFFFAOYSA-N -1 3 397.827 3.096 20 0 GGADHM C[C@@H](CCc1ccco1)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482229975 566293672 /nfs/dbraw/zinc/29/36/72/566293672.db2.gz HBEQQAVEGAKIGK-NSHDSACASA-N -1 3 377.242 3.255 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C2CC2)s1 ZINC000462391194 566293847 /nfs/dbraw/zinc/29/38/47/566293847.db2.gz CZMAQOAIPZCCHM-GFCCVEGCSA-N -1 3 388.312 3.039 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H]2CCCO[C@@H]21 ZINC000420664132 566293909 /nfs/dbraw/zinc/29/39/09/566293909.db2.gz ACBMYUKKFSGYBW-GDLCADMTSA-N -1 3 395.855 3.423 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C2CC2)n1 ZINC000462392797 566294051 /nfs/dbraw/zinc/29/40/51/566294051.db2.gz ILACWMJVZGDXDH-GFCCVEGCSA-N -1 3 388.312 3.039 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1cc(F)ccc1F ZINC000482233835 566294094 /nfs/dbraw/zinc/29/40/94/566294094.db2.gz UOKRTFYBBCEPGN-UHFFFAOYSA-N -1 3 395.207 3.161 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1cccc2cccnc21 ZINC000482233228 566294436 /nfs/dbraw/zinc/29/44/36/566294436.db2.gz RIKYQAYFSUZRJH-UHFFFAOYSA-N -1 3 396.248 3.389 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482228581 566294813 /nfs/dbraw/zinc/29/48/13/566294813.db2.gz KRVJFWVMMQTWLV-UHFFFAOYSA-N -1 3 397.582 3.098 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482228581 566294819 /nfs/dbraw/zinc/29/48/19/566294819.db2.gz KRVJFWVMMQTWLV-UHFFFAOYSA-N -1 3 397.582 3.098 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Br)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482228581 566294824 /nfs/dbraw/zinc/29/48/24/566294824.db2.gz KRVJFWVMMQTWLV-UHFFFAOYSA-N -1 3 397.582 3.098 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420663503 566295031 /nfs/dbraw/zinc/29/50/31/566295031.db2.gz DACDNOKEJYHDAJ-UHFFFAOYSA-N -1 3 385.860 3.409 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@H](CC(F)(F)F)C1 ZINC000482228425 566294988 /nfs/dbraw/zinc/29/49/88/566294988.db2.gz BTBYRVDXYFYWQK-SECBINFHSA-N -1 3 391.191 3.325 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCOCC1 ZINC000420664310 566295065 /nfs/dbraw/zinc/29/50/65/566295065.db2.gz FAYDMUIGZBAKDI-UHFFFAOYSA-N -1 3 383.844 3.427 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cc1C(F)(F)F ZINC000556397072 566295438 /nfs/dbraw/zinc/29/54/38/566295438.db2.gz AUIBMSZGJCIBIX-ZETCQYMHSA-N -1 3 393.305 3.111 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1cc(F)ccc1OC(F)F ZINC000420671222 566295906 /nfs/dbraw/zinc/29/59/06/566295906.db2.gz ITQGXDJKRVSBTB-UHFFFAOYSA-N -1 3 375.368 3.044 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)ccc1Br ZINC000482244660 566295886 /nfs/dbraw/zinc/29/58/86/566295886.db2.gz QGYSILVAHWYCDV-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)ccc1Br ZINC000482244660 566295892 /nfs/dbraw/zinc/29/58/92/566295892.db2.gz QGYSILVAHWYCDV-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)ccc1Br ZINC000482244660 566295899 /nfs/dbraw/zinc/29/58/99/566295899.db2.gz QGYSILVAHWYCDV-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000575889839 566296141 /nfs/dbraw/zinc/29/61/41/566296141.db2.gz RMMPXTXCKAACAV-MRVPVSSYSA-N -1 3 387.075 3.174 20 0 GGADHM 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GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420678493 566299081 /nfs/dbraw/zinc/29/90/81/566299081.db2.gz SXGZFGKCLNWBQO-SNVBAGLBSA-N -1 3 375.368 3.042 20 0 GGADHM CSc1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509403796 566299629 /nfs/dbraw/zinc/29/96/29/566299629.db2.gz USRVWXKCTHZCTI-UHFFFAOYSA-N -1 3 388.917 3.269 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2CCC(C)(C)CC2)s1 ZINC000535363477 566299744 /nfs/dbraw/zinc/29/97/44/566299744.db2.gz XBMGPLWDCNJUCW-UHFFFAOYSA-N -1 3 375.512 3.038 20 0 GGADHM O=S(=O)([N-]CCNCc1ccsc1Cl)c1ccc(F)cc1Cl ZINC000509401624 566299885 /nfs/dbraw/zinc/29/98/85/566299885.db2.gz NZUUFIQBQGJLRR-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)c(Cl)c1)c1ccc(F)cc1Cl ZINC000509405012 566300302 /nfs/dbraw/zinc/30/03/02/566300302.db2.gz YFQAILBFLBMMDG-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000535355606 566300237 /nfs/dbraw/zinc/30/02/37/566300237.db2.gz 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395.352 3.401 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)s1 ZINC000462438933 566302485 /nfs/dbraw/zinc/30/24/85/566302485.db2.gz GEVAHGKVHFRYRG-GHMZBOCLSA-N -1 3 395.388 3.218 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO[C@@H]1C1CC1 ZINC000575978620 566302553 /nfs/dbraw/zinc/30/25/53/566302553.db2.gz HPFRPSAIFIRDMP-ZBFHGGJFSA-N -1 3 395.855 3.425 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420697746 566302784 /nfs/dbraw/zinc/30/27/84/566302784.db2.gz ZTEBPCYTUIJGLJ-JSGCOSHPSA-N -1 3 381.416 3.299 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c(Cl)c1Cl ZINC000462437455 566302738 /nfs/dbraw/zinc/30/27/38/566302738.db2.gz AKRAGQQZQQTLRT-RYUDHWBXSA-N -1 3 395.352 3.401 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)s1 ZINC000462436176 566302750 /nfs/dbraw/zinc/30/27/50/566302750.db2.gz JBYZAVWAPZMLKW-NSHDSACASA-N -1 3 388.308 3.101 20 0 GGADHM Cc1cscc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000445632965 566303647 /nfs/dbraw/zinc/30/36/47/566303647.db2.gz VKQKFPKNABUXCD-UHFFFAOYSA-N -1 3 379.438 3.353 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000420698194 566303620 /nfs/dbraw/zinc/30/36/20/566303620.db2.gz KSHOWUPQAINDCB-RFAUZJTJSA-N -1 3 383.844 3.423 20 0 GGADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420697745 566304009 /nfs/dbraw/zinc/30/40/09/566304009.db2.gz ZTEBPCYTUIJGLJ-GXTWGEPZSA-N -1 3 381.416 3.299 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(F)(F)F ZINC000509435061 566305114 /nfs/dbraw/zinc/30/51/14/566305114.db2.gz GGCSPLPOUVMZSQ-UHFFFAOYSA-N -1 3 398.756 3.131 20 0 GGADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H](C)O1 ZINC000420705543 566305207 /nfs/dbraw/zinc/30/52/07/566305207.db2.gz IVOIASSHDWZOQS-GHMZBOCLSA-N -1 3 381.416 3.299 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000420705473 566305255 /nfs/dbraw/zinc/30/52/55/566305255.db2.gz ISGITBOOVHXKKK-RISCZKNCSA-N -1 3 384.325 3.007 20 0 GGADHM Brc1c(-c2nc(Cc3cnccn3)no2)n[n-]c1-c1ccccc1 ZINC000445682590 566305148 /nfs/dbraw/zinc/30/51/48/566305148.db2.gz OHLOJVBYTOTGKE-UHFFFAOYSA-N -1 3 383.209 3.270 20 0 GGADHM Brc1c(-c2ccccc2)n[n-]c1-c1nc(Cc2cnccn2)no1 ZINC000445682590 566305156 /nfs/dbraw/zinc/30/51/56/566305156.db2.gz OHLOJVBYTOTGKE-UHFFFAOYSA-N -1 3 383.209 3.270 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420705730 566305467 /nfs/dbraw/zinc/30/54/67/566305467.db2.gz WWGYZOLSIWDGTF-ZDUSSCGKSA-N -1 3 385.860 3.263 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2ccccc2F)s1 ZINC000462455090 566305580 /nfs/dbraw/zinc/30/55/80/566305580.db2.gz ZJUXAXQQPDTTNI-UHFFFAOYSA-N -1 3 394.287 3.315 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)OC)c1 ZINC000625325936 566305621 /nfs/dbraw/zinc/30/56/21/566305621.db2.gz LDIIYSUALIGZNE-QGZVFWFLSA-N -1 3 387.860 3.295 20 0 GGADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000445695950 566305694 /nfs/dbraw/zinc/30/56/94/566305694.db2.gz AUQOAKNSUVSFEG-OAHLLOKOSA-N -1 3 375.416 3.187 20 0 GGADHM O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1c[n-]c2ccccc2c1=O ZINC000482420016 566305865 /nfs/dbraw/zinc/30/58/65/566305865.db2.gz ADHIREHGYKRHKZ-OAHLLOKOSA-N -1 3 377.227 3.298 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462459433 566306317 /nfs/dbraw/zinc/30/63/17/566306317.db2.gz MSNOTNQWPUSCBK-UHFFFAOYSA-N -1 3 391.276 3.274 20 0 GGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420713077 566306375 /nfs/dbraw/zinc/30/63/75/566306375.db2.gz VRKYGYMSXBGDKV-JTQLQIEISA-N -1 3 399.843 3.340 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cc(F)ccc1OC(F)F ZINC000420708145 566306532 /nfs/dbraw/zinc/30/65/32/566306532.db2.gz ZUBQNEWWOICRLR-UHFFFAOYSA-N -1 3 378.397 3.240 20 0 GGADHM CSc1nnc(C[N-]S(=O)(=O)c2ccccc2-c2ccccc2)s1 ZINC000445725023 566306565 /nfs/dbraw/zinc/30/65/65/566306565.db2.gz PCQXWZWSBRSZEK-UHFFFAOYSA-N -1 3 377.516 3.406 20 0 GGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420713078 566306743 /nfs/dbraw/zinc/30/67/43/566306743.db2.gz VRKYGYMSXBGDKV-SNVBAGLBSA-N -1 3 399.843 3.340 20 0 GGADHM O=C(Cc1noc(-c2ccccc2[O-])n1)NCc1ccccc1Br ZINC000445717449 566306966 /nfs/dbraw/zinc/30/69/66/566306966.db2.gz DRRONNYYWKFIAY-UHFFFAOYSA-N -1 3 388.221 3.064 20 0 GGADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000445725898 566307201 /nfs/dbraw/zinc/30/72/01/566307201.db2.gz RXUYLUGTDDNQGP-CYBMUJFWSA-N -1 3 379.379 3.267 20 0 GGADHM Cc1nc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)sc1C(F)(F)F ZINC000576008534 566307410 /nfs/dbraw/zinc/30/74/10/566307410.db2.gz YWTSGKITUMDHRD-UHFFFAOYSA-N -1 3 379.429 3.333 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)OC)c1 ZINC000625326534 566307853 /nfs/dbraw/zinc/30/78/53/566307853.db2.gz QJCBTLCFIQQJOL-QGZVFWFLSA-N -1 3 387.860 3.295 20 0 GGADHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC1 ZINC000445733992 566308408 /nfs/dbraw/zinc/30/84/08/566308408.db2.gz PJZYCYCWYTUOBD-UHFFFAOYSA-N -1 3 399.713 3.004 20 0 GGADHM CSCc1cccc(C[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000445739696 566308634 /nfs/dbraw/zinc/30/86/34/566308634.db2.gz FFPKRWXIOOJQBU-UHFFFAOYSA-N -1 3 376.297 3.384 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1ccc(Cl)c(Br)c1 ZINC000420717712 566308702 /nfs/dbraw/zinc/30/87/02/566308702.db2.gz MCZJGYNOOCUHLM-UHFFFAOYSA-N -1 3 382.707 3.076 20 0 GGADHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC)OCC ZINC000625339127 566309075 /nfs/dbraw/zinc/30/90/75/566309075.db2.gz HBRVAQMQBVCCKW-JTQLQIEISA-N -1 3 398.294 3.080 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)c(Br)c1 ZINC000462476062 566309041 /nfs/dbraw/zinc/30/90/41/566309041.db2.gz RGCHWRYIIVFYBA-ZWNOBZJWSA-N -1 3 390.299 3.093 20 0 GGADHM COCCCN(Cc1ccncc1)C(=O)c1cc([O-])cc(Br)c1 ZINC000625334767 566309257 /nfs/dbraw/zinc/30/92/57/566309257.db2.gz YCUKLTSDFQIAGS-UHFFFAOYSA-N -1 3 379.254 3.229 20 0 GGADHM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC000509475938 566309589 /nfs/dbraw/zinc/30/95/89/566309589.db2.gz ACLNZUVSXWTVNR-HIFRSBDPSA-N -1 3 391.798 3.295 20 0 GGADHM COCCOc1cncc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c1 ZINC000509498847 566310480 /nfs/dbraw/zinc/31/04/80/566310480.db2.gz DFTPUTCWDLQXQL-UHFFFAOYSA-N -1 3 376.463 3.248 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CC(C)(C)C(C)C)c(OC)cc1Br ZINC000445748693 566310419 /nfs/dbraw/zinc/31/04/19/566310419.db2.gz JOVSBNMQMMHSQH-UHFFFAOYSA-N -1 3 394.331 3.427 20 0 GGADHM CCC[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Br)OCC ZINC000625342569 566311343 /nfs/dbraw/zinc/31/13/43/566311343.db2.gz WIWHWRQWORHFEB-ZDUSSCGKSA-N -1 3 382.295 3.213 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2C)c(Br)c1 ZINC000462482219 566311587 /nfs/dbraw/zinc/31/15/87/566311587.db2.gz DVDSTKKKJYTZTE-UHFFFAOYSA-N -1 3 398.278 3.023 20 0 GGADHM O=S(=O)([N-]CCNc1cccc(C(F)(F)F)n1)c1ccc(F)cc1Cl ZINC000509523688 566311945 /nfs/dbraw/zinc/31/19/45/566311945.db2.gz LADJZAIJCZRBPE-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)CC(C)C ZINC000462493378 566312088 /nfs/dbraw/zinc/31/20/88/566312088.db2.gz IPOGNLLESRCERW-SNVBAGLBSA-N -1 3 398.308 3.116 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000462496763 566313104 /nfs/dbraw/zinc/31/31/04/566313104.db2.gz SZBIGASRLIXUFH-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000509525019 566313528 /nfs/dbraw/zinc/31/35/28/566313528.db2.gz NNMMSLNDMHSZPP-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CCc2nccs2)c(F)cc1F ZINC000600090034 566314075 /nfs/dbraw/zinc/31/40/75/566314075.db2.gz MWKOZDVLSVYWJM-UHFFFAOYSA-N -1 3 389.449 3.144 20 0 GGADHM O=S(=O)([N-][C@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000420752032 566314153 /nfs/dbraw/zinc/31/41/53/566314153.db2.gz PMIQAQDFJTYNGO-WFASDCNBSA-N -1 3 395.855 3.017 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)c(Cl)c1Cl ZINC000462505039 566314517 /nfs/dbraw/zinc/31/45/17/566314517.db2.gz PFBXWIIDUWWKNH-GFCCVEGCSA-N -1 3 395.352 3.401 20 0 GGADHM Cc1nc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)s1 ZINC000669618720 566315370 /nfs/dbraw/zinc/31/53/70/566315370.db2.gz YZNAGWVVWWQMMA-SECBINFHSA-N -1 3 391.921 3.182 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2Cl)cn1 ZINC000669606626 566315469 /nfs/dbraw/zinc/31/54/69/566315469.db2.gz OKMKPVIAFVFCAK-UHFFFAOYSA-N -1 3 395.637 3.446 20 0 GGADHM COC1([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCOCC1 ZINC000420754684 566315472 /nfs/dbraw/zinc/31/54/72/566315472.db2.gz AZWPVBJCYFYWSU-ZDUSSCGKSA-N -1 3 383.897 3.356 20 0 GGADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nn1 ZINC000420759294 566315530 /nfs/dbraw/zinc/31/55/30/566315530.db2.gz HUCSMDKECCABMO-UHFFFAOYSA-N -1 3 377.297 3.379 20 0 GGADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1ccc(Br)c(F)c1 ZINC000462528179 566317283 /nfs/dbraw/zinc/31/72/83/566317283.db2.gz WVKYZCFAVYXMDY-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nn1 ZINC000420766661 566317949 /nfs/dbraw/zinc/31/79/49/566317949.db2.gz SUYSZCYIJPFLGJ-UHFFFAOYSA-N -1 3 377.297 3.379 20 0 GGADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nn1 ZINC000420763322 566318131 /nfs/dbraw/zinc/31/81/31/566318131.db2.gz NQWQZIGPMCOLGB-UHFFFAOYSA-N -1 3 377.297 3.379 20 0 GGADHM CCCCOc1cccc(C[N-]S(=O)(=O)c2csc(C(=O)OC)c2)c1 ZINC000462536449 566318528 /nfs/dbraw/zinc/31/85/28/566318528.db2.gz FLFHZFSOLREYRC-UHFFFAOYSA-N -1 3 383.491 3.192 20 0 GGADHM O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cc([O-])cc(Br)c1 ZINC000625409773 566319471 /nfs/dbraw/zinc/31/94/71/566319471.db2.gz MLUNVIPTBPREFS-UHFFFAOYSA-N -1 3 395.297 3.066 20 0 GGADHM O=S(=O)([N-]CCCC(F)(F)F)c1cc(Br)cc2c1OCC2 ZINC000576150483 566319670 /nfs/dbraw/zinc/31/96/70/566319670.db2.gz BIOIMDVNWACHLG-UHFFFAOYSA-N -1 3 388.205 3.005 20 0 GGADHM Cc1ccn2cc(CNC(=O)NCc3ccc([O-])c(Br)c3)nc2c1 ZINC000482579728 566319667 /nfs/dbraw/zinc/31/96/67/566319667.db2.gz IYJNTOXPYJBXRB-UHFFFAOYSA-N -1 3 389.253 3.110 20 0 GGADHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000625414791 566319832 /nfs/dbraw/zinc/31/98/32/566319832.db2.gz OAXAUMFFZUZCBO-JTQLQIEISA-N -1 3 384.723 3.178 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)s1 ZINC000669675401 566321111 /nfs/dbraw/zinc/32/11/11/566321111.db2.gz SJFFOXHBRBISBL-CMPLNLGQSA-N -1 3 380.482 3.049 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)c1Cl ZINC000576196573 566322662 /nfs/dbraw/zinc/32/26/62/566322662.db2.gz CSKSMUCGXZTQDS-WFASDCNBSA-N -1 3 378.321 3.377 20 0 GGADHM O=C(NCCc1ccc(Cl)cc1Cl)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482636722 566322980 /nfs/dbraw/zinc/32/29/80/566322980.db2.gz WWIKDGZNLYZGOO-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM O=C(NCCc1ccc(Cl)cc1Cl)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482636722 566322987 /nfs/dbraw/zinc/32/29/87/566322987.db2.gz WWIKDGZNLYZGOO-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM O=C(NCCc1ccc(Cl)cc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482636722 566322995 /nfs/dbraw/zinc/32/29/95/566322995.db2.gz WWIKDGZNLYZGOO-UHFFFAOYSA-N -1 3 382.173 3.172 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](C)CC ZINC000462565278 566323825 /nfs/dbraw/zinc/32/38/25/566323825.db2.gz LRWFJQGVCUQGFL-ZANVPECISA-N -1 3 385.379 3.101 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNC(=O)CC2CCCC2)c1Cl ZINC000509648719 566324750 /nfs/dbraw/zinc/32/47/50/566324750.db2.gz JXAOEQWYZAJNAJ-UHFFFAOYSA-N -1 3 393.336 3.277 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H](C)CC ZINC000462568377 566325224 /nfs/dbraw/zinc/32/52/24/566325224.db2.gz YEFZWLCVFOBHJD-ZANVPECISA-N -1 3 385.379 3.101 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccccc1 ZINC000462572092 566325486 /nfs/dbraw/zinc/32/54/86/566325486.db2.gz KDCIZUVMRWYIIV-CYBMUJFWSA-N -1 3 390.324 3.485 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000462573729 566325625 /nfs/dbraw/zinc/32/56/25/566325625.db2.gz DZGVAMCZFVPBKY-CQSZACIVSA-N -1 3 388.258 3.254 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000462573728 566325858 /nfs/dbraw/zinc/32/58/58/566325858.db2.gz DZGVAMCZFVPBKY-AWEZNQCLSA-N -1 3 388.258 3.254 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@@H](C)CC ZINC000462569199 566325915 /nfs/dbraw/zinc/32/59/15/566325915.db2.gz ZXGZEFHHFVFSBS-KWQFWETISA-N -1 3 398.344 3.075 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@@H](C)CC ZINC000462569196 566325928 /nfs/dbraw/zinc/32/59/28/566325928.db2.gz ZXGZEFHHFVFSBS-GZMMTYOYSA-N -1 3 398.344 3.075 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000462575937 566326623 /nfs/dbraw/zinc/32/66/23/566326623.db2.gz KSTFTEOSAKSZPD-OAHLLOKOSA-N -1 3 388.258 3.254 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000509660435 566326693 /nfs/dbraw/zinc/32/66/93/566326693.db2.gz ZQFPANXLDXRKKD-MLGOLLRUSA-N -1 3 390.933 3.277 20 0 GGADHM O=C([O-])CCN(Cc1ccc(CO)cc1)Cc1cccc(Br)c1 ZINC000576234001 566326753 /nfs/dbraw/zinc/32/67/53/566326753.db2.gz QMTDXGDZVZPNKM-UHFFFAOYSA-N -1 3 378.266 3.418 20 0 GGADHM Cc1ccc(-c2csc([N-]C(=O)c3sccc3S(N)(=O)=O)n2)cc1 ZINC000669779643 566327730 /nfs/dbraw/zinc/32/77/30/566327730.db2.gz ZHARMEORNWMEOT-UHFFFAOYSA-N -1 3 379.488 3.080 20 0 GGADHM CCc1ccc(-c2csc([N-]C(=O)c3sccc3S(N)(=O)=O)n2)cc1 ZINC000669818609 566328296 /nfs/dbraw/zinc/32/82/96/566328296.db2.gz HHJMCKJIVCMLPP-UHFFFAOYSA-N -1 3 393.515 3.334 20 0 GGADHM COc1cccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1[O-] ZINC000556742073 566328601 /nfs/dbraw/zinc/32/86/01/566328601.db2.gz QLKLVZSBITWBDC-HNNXBMFYSA-N -1 3 377.238 3.439 20 0 GGADHM COc1cc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)nn1C ZINC000482717494 566328981 /nfs/dbraw/zinc/32/89/81/566328981.db2.gz DULNVPSHDBCGDW-UHFFFAOYSA-N -1 3 395.897 3.478 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccsc2)cc1OC ZINC000669835037 566330126 /nfs/dbraw/zinc/33/01/26/566330126.db2.gz IQMJEGDJJJSUAM-NSHDSACASA-N -1 3 383.495 3.401 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)CC ZINC000462599182 566329918 /nfs/dbraw/zinc/32/99/18/566329918.db2.gz YEINTRVEWBBJNY-YGRLFVJLSA-N -1 3 382.309 3.391 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CCCC2)C1)c1ccc(Br)s1 ZINC000462597292 566330081 /nfs/dbraw/zinc/33/00/81/566330081.db2.gz YEJZFBJUZRZYKW-LBPRGKRZSA-N -1 3 393.372 3.053 20 0 GGADHM CCOc1ccc(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)cc1 ZINC000576272005 566330378 /nfs/dbraw/zinc/33/03/78/566330378.db2.gz NZPBQMDSGWJRGV-CQSZACIVSA-N -1 3 396.281 3.083 20 0 GGADHM COCCC[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)c1ccc(Cl)cc1 ZINC000509709912 566331552 /nfs/dbraw/zinc/33/15/52/566331552.db2.gz FXRZNFRKBLLUGM-CQSZACIVSA-N -1 3 386.876 3.363 20 0 GGADHM CO[C@@H](C)c1nsc([N-]C(=O)c2cnc3ncc(Br)cc3c2)n1 ZINC000669852486 566332327 /nfs/dbraw/zinc/33/23/27/566332327.db2.gz ZVSAIGVMMFAHTG-ZETCQYMHSA-N -1 3 394.254 3.204 20 0 GGADHM O=S(=O)([N-][C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000509726040 566332826 /nfs/dbraw/zinc/33/28/26/566332826.db2.gz DGIKHOROMIEWDU-CQSZACIVSA-N -1 3 397.287 3.374 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](Cc2nnc[nH]2)c2ccccc2)sc1Cl ZINC000509736859 566333261 /nfs/dbraw/zinc/33/32/61/566333261.db2.gz UNNYSZDQYCABPK-GFCCVEGCSA-N -1 3 382.898 3.090 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](Cc2nc[nH]n2)c2ccccc2)sc1Cl ZINC000509736859 566333266 /nfs/dbraw/zinc/33/32/66/566333266.db2.gz UNNYSZDQYCABPK-GFCCVEGCSA-N -1 3 382.898 3.090 20 0 GGADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]CC(=O)c1cccc(Cl)c1Cl ZINC000625548320 566333620 /nfs/dbraw/zinc/33/36/20/566333620.db2.gz HXIUWZIZDJHGPE-NSHDSACASA-N -1 3 382.309 3.157 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1nc(C2CCC2)cs1 ZINC000576303166 566333530 /nfs/dbraw/zinc/33/35/30/566333530.db2.gz MOAOSXRQDLHWBK-UHFFFAOYSA-N -1 3 391.927 3.043 20 0 GGADHM Cc1sc([N-]C(=O)c2sccc2S(N)(=O)=O)nc1-c1ccc(C)cc1 ZINC000669869854 566334011 /nfs/dbraw/zinc/33/40/11/566334011.db2.gz AFFYVUPVXBHKIA-UHFFFAOYSA-N -1 3 393.515 3.388 20 0 GGADHM Cc1nc(-c2cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c2)oc1C ZINC000576320802 566334895 /nfs/dbraw/zinc/33/48/95/566334895.db2.gz MNTNUMMTROJAMQ-UHFFFAOYSA-N -1 3 378.372 3.279 20 0 GGADHM C[C@@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccsc1 ZINC000669883522 566335215 /nfs/dbraw/zinc/33/52/15/566335215.db2.gz OUAAAJUEBSNJOA-GFCCVEGCSA-N -1 3 399.563 3.023 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2OC)c1 ZINC000462629871 566335347 /nfs/dbraw/zinc/33/53/47/566335347.db2.gz GMLOTTOKYRSLSU-GFCCVEGCSA-N -1 3 385.869 3.103 20 0 GGADHM Cc1ccc(-c2csc([N-]C(=O)c3sccc3S(N)(=O)=O)n2)c(C)c1 ZINC000669906206 566335420 /nfs/dbraw/zinc/33/54/20/566335420.db2.gz XLNGJPBHWAPHNQ-UHFFFAOYSA-N -1 3 393.515 3.388 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000556820769 566336324 /nfs/dbraw/zinc/33/63/24/566336324.db2.gz HTLNSYGNVPZQKB-UONOGXRCSA-N -1 3 389.445 3.313 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c1Cl ZINC000535900096 566336691 /nfs/dbraw/zinc/33/66/91/566336691.db2.gz JEESQQCDGBBPFJ-AWEZNQCLSA-N -1 3 388.316 3.431 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446228904 566336834 /nfs/dbraw/zinc/33/68/34/566336834.db2.gz XTWSYOMEGLMHAZ-NSHDSACASA-N -1 3 379.185 3.358 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446225007 566337007 /nfs/dbraw/zinc/33/70/07/566337007.db2.gz DHJMZQYAYOQPBM-GFCCVEGCSA-N -1 3 393.212 3.036 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC000535906127 566337033 /nfs/dbraw/zinc/33/70/33/566337033.db2.gz NGTGAGWWBVBOCM-AWEZNQCLSA-N -1 3 379.881 3.265 20 0 GGADHM O=S(=O)([N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cncc(F)c1 ZINC000509784153 566337785 /nfs/dbraw/zinc/33/77/85/566337785.db2.gz VKGICZUJDONHTE-QGZVFWFLSA-N -1 3 384.860 3.320 20 0 GGADHM O=S(=O)(C[C@H]1CCCCO1)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000509783482 566337890 /nfs/dbraw/zinc/33/78/90/566337890.db2.gz QZCKMFNYIVFFJS-QZTJIDSGSA-N -1 3 387.929 3.296 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)cc1F)c1cccc(Cl)c1Cl ZINC000556843804 566338049 /nfs/dbraw/zinc/33/80/49/566338049.db2.gz FPZROBYVNVHKMW-UHFFFAOYSA-N -1 3 395.258 3.340 20 0 GGADHM CCCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCN(C)C1 ZINC000648996463 566338376 /nfs/dbraw/zinc/33/83/76/566338376.db2.gz SZAXIRGVXOXGGC-GFCCVEGCSA-N -1 3 392.297 3.259 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCC(=O)OC(C)C)cc1Cl ZINC000462672634 566338646 /nfs/dbraw/zinc/33/86/46/566338646.db2.gz DKAFOKQYLNOMLL-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2sccc2C)n1 ZINC000462663001 566338828 /nfs/dbraw/zinc/33/88/28/566338828.db2.gz SXLGJKILZCEJBM-NSHDSACASA-N -1 3 379.463 3.155 20 0 GGADHM CC1=C(C)CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000482877390 566339212 /nfs/dbraw/zinc/33/92/12/566339212.db2.gz WTKLLLDKLWYDGM-UHFFFAOYSA-N -1 3 396.559 3.470 20 0 GGADHM CCc1nc2ccc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000649028605 566339413 /nfs/dbraw/zinc/33/94/13/566339413.db2.gz HYHFJLBXRTZRLL-UHFFFAOYSA-N -1 3 395.531 3.227 20 0 GGADHM CCc1nc2ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000649028903 566340013 /nfs/dbraw/zinc/34/00/13/566340013.db2.gz UOCDRFKWEFLGPQ-JTQLQIEISA-N -1 3 395.531 3.226 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(F)cc1F ZINC000462679617 566340338 /nfs/dbraw/zinc/34/03/38/566340338.db2.gz PHPLLSANDYQTKW-SECBINFHSA-N -1 3 391.237 3.204 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446285497 566340522 /nfs/dbraw/zinc/34/05/22/566340522.db2.gz WDBNNNJZDHWVDI-NSHDSACASA-N -1 3 379.185 3.358 20 0 GGADHM Cn1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C(F)(F)F)n1 ZINC000446272543 566340540 /nfs/dbraw/zinc/34/05/40/566340540.db2.gz RQSLNROTWWPKGD-UHFFFAOYSA-N -1 3 393.163 3.229 20 0 GGADHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000462685321 566340642 /nfs/dbraw/zinc/34/06/42/566340642.db2.gz VGEJAIAWPMDRTA-SNVBAGLBSA-N -1 3 394.198 3.074 20 0 GGADHM CC1=C(C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000482889071 566340619 /nfs/dbraw/zinc/34/06/19/566340619.db2.gz SWJIDAPDFBGPHD-UHFFFAOYSA-N -1 3 376.400 3.259 20 0 GGADHM CC(=O)c1cccc(NC(=O)Cc2cccc(I)c2)c1[O-] ZINC000556893491 566340998 /nfs/dbraw/zinc/34/09/98/566340998.db2.gz VMUARDUNERIUAC-UHFFFAOYSA-N -1 3 395.196 3.381 20 0 GGADHM Cc1noc(C)c1COc1ccccc1C(=O)N=c1[nH][n-]cc1Br ZINC000556892539 566341781 /nfs/dbraw/zinc/34/17/81/566341781.db2.gz LTVBMXWDQLFEPE-UHFFFAOYSA-N -1 3 391.225 3.030 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)c1c[nH]cn1 ZINC000462696929 566341998 /nfs/dbraw/zinc/34/19/98/566341998.db2.gz AEYFJQAHNLUAKU-INIZCTEOSA-N -1 3 383.807 3.409 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462700557 566342496 /nfs/dbraw/zinc/34/24/96/566342496.db2.gz IWWGTDUFPCAGMB-MEDUHNTESA-N -1 3 399.299 3.466 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462700558 566343133 /nfs/dbraw/zinc/34/31/33/566343133.db2.gz IWWGTDUFPCAGMB-ZBEGNZNMSA-N -1 3 399.299 3.466 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccc(F)cc1 ZINC000462705045 566344409 /nfs/dbraw/zinc/34/44/09/566344409.db2.gz PZLHCNZERCPNJZ-SECBINFHSA-N -1 3 394.287 3.396 20 0 GGADHM O=C(c1sc2ccccc2c1Br)N1CCc2c(=O)[n-]cnc2C1 ZINC000576437995 566344729 /nfs/dbraw/zinc/34/47/29/566344729.db2.gz XWVDMWPCTWXOIL-UHFFFAOYSA-N -1 3 390.262 3.358 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000462707100 566344887 /nfs/dbraw/zinc/34/48/87/566344887.db2.gz POGCSOKGVRBMHG-AWEZNQCLSA-N -1 3 377.865 3.269 20 0 GGADHM Cc1c2cccc(Br)c2oc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000576429883 566345273 /nfs/dbraw/zinc/34/52/73/566345273.db2.gz DZJQLJKSBCANPZ-UHFFFAOYSA-N -1 3 388.221 3.198 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000649121477 566345777 /nfs/dbraw/zinc/34/57/77/566345777.db2.gz MJGBUJGRQGOCOF-KWCYVHTRSA-N -1 3 396.559 3.207 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000625629684 566346102 /nfs/dbraw/zinc/34/61/02/566346102.db2.gz WLMMYFZCLZKIRQ-GFCCVEGCSA-N -1 3 396.317 3.466 20 0 GGADHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509918450 566347058 /nfs/dbraw/zinc/34/70/58/566347058.db2.gz YQLSCJAKQDHCHH-SECBINFHSA-N -1 3 387.807 3.225 20 0 GGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000576459346 566348031 /nfs/dbraw/zinc/34/80/31/566348031.db2.gz DEAGROJKAWCROC-OAHLLOKOSA-N -1 3 377.359 3.165 20 0 GGADHM Cc1nc(C)c(CC(=O)NC(C)(C)c2ccccc2Br)c(=O)[n-]1 ZINC000536063678 566348363 /nfs/dbraw/zinc/34/83/63/566348363.db2.gz AWGDRZKGLQHCJA-UHFFFAOYSA-N -1 3 378.270 3.156 20 0 GGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462722190 566348300 /nfs/dbraw/zinc/34/83/00/566348300.db2.gz OYBUZFNOZLENFO-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1 ZINC000421138395 566348310 /nfs/dbraw/zinc/34/83/10/566348310.db2.gz AVVIPKRUIMBHDG-OAHLLOKOSA-N -1 3 383.539 3.374 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCc3c(Br)cccc3[C@@H]2C)c(=O)[n-]1 ZINC000509929132 566348405 /nfs/dbraw/zinc/34/84/05/566348405.db2.gz MBCCOEKPUHTETI-NSHDSACASA-N -1 3 390.281 3.250 20 0 GGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000509925950 566348670 /nfs/dbraw/zinc/34/86/70/566348670.db2.gz GNZUJJWSLFXRPW-ZDUSSCGKSA-N -1 3 390.933 3.345 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(Cl)cc32)s1 ZINC000625676664 566349040 /nfs/dbraw/zinc/34/90/40/566349040.db2.gz XEUQSCQRLDBASB-CYBMUJFWSA-N -1 3 385.898 3.111 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000421148447 566349834 /nfs/dbraw/zinc/34/98/34/566349834.db2.gz DOFSRKQQRNUVOT-CQSZACIVSA-N -1 3 388.917 3.270 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000509946059 566350596 /nfs/dbraw/zinc/35/05/96/566350596.db2.gz WIUNCUGAEKITRV-CYBMUJFWSA-N -1 3 393.814 3.241 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccnc(Sc2ccccn2)c1 ZINC000421156729 566350856 /nfs/dbraw/zinc/35/08/56/566350856.db2.gz POWZMWAZNYJRHM-OAHLLOKOSA-N -1 3 381.523 3.431 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC2(CCCCC2)C1 ZINC000600606484 566350987 /nfs/dbraw/zinc/35/09/87/566350987.db2.gz UXPSFOSBKYMTFD-UHFFFAOYSA-N -1 3 390.958 3.253 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(OCCOC)c(Cl)c1)OC ZINC000421158098 566351512 /nfs/dbraw/zinc/35/15/12/566351512.db2.gz RNFVNQNGTNTFNJ-LLVKDONJSA-N -1 3 386.297 3.185 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOc2cccc(F)c2C1 ZINC000670141419 566351510 /nfs/dbraw/zinc/35/15/10/566351510.db2.gz IOXUDRDIKFFECF-UHFFFAOYSA-N -1 3 395.228 3.398 20 0 GGADHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1nc(C(C)(C)C)cs1 ZINC000483012634 566351931 /nfs/dbraw/zinc/35/19/31/566351931.db2.gz KEAFQKSHMWFQSR-SSDOTTSWSA-N -1 3 376.408 3.138 20 0 GGADHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1nc(C(C)(C)C)cs1 ZINC000483012634 566351934 /nfs/dbraw/zinc/35/19/34/566351934.db2.gz KEAFQKSHMWFQSR-SSDOTTSWSA-N -1 3 376.408 3.138 20 0 GGADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1nc(C(C)(C)C)cs1 ZINC000483012634 566351942 /nfs/dbraw/zinc/35/19/42/566351942.db2.gz KEAFQKSHMWFQSR-SSDOTTSWSA-N -1 3 376.408 3.138 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421156915 566351908 /nfs/dbraw/zinc/35/19/08/566351908.db2.gz QQJAZTRHXWPJHR-ZDUSSCGKSA-N -1 3 376.906 3.491 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1)OC ZINC000421153389 566352122 /nfs/dbraw/zinc/35/21/22/566352122.db2.gz LMFBGOCZJKVBTE-CYBMUJFWSA-N -1 3 378.947 3.060 20 0 GGADHM O=S(=O)([N-]C1CC(c2ccc(F)c(Cl)c2)C1)c1cn2c(n1)CCCC2 ZINC000462785491 566353064 /nfs/dbraw/zinc/35/30/64/566353064.db2.gz NYESGMYAIKOHSB-UHFFFAOYSA-N -1 3 383.876 3.236 20 0 GGADHM CN(C)c1cnc(C(=O)[N-]c2nnc(SCc3cccs3)s2)cn1 ZINC000536135214 566353175 /nfs/dbraw/zinc/35/31/75/566353175.db2.gz IQAXPEUPUZZWBT-UHFFFAOYSA-N -1 3 378.508 3.000 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000536130429 566353390 /nfs/dbraw/zinc/35/33/90/566353390.db2.gz NWJSLWIEKFSXCS-UHFFFAOYSA-N -1 3 386.303 3.382 20 0 GGADHM O=C([N-]c1cc(-c2ccc(Br)o2)no1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000649214219 566353639 /nfs/dbraw/zinc/35/36/39/566353639.db2.gz OYGHPWDORHOSTR-NSHDSACASA-N -1 3 394.225 3.037 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000536130747 566353867 /nfs/dbraw/zinc/35/38/67/566353867.db2.gz TWSOKKHGFLIAPI-DYVFJYSZSA-N -1 3 385.869 3.011 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000536135974 566354068 /nfs/dbraw/zinc/35/40/68/566354068.db2.gz KPBMUCRDMTTYHP-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM CCc1nc([C@@H]2CCCCN2C(=O)c2cc([O-])cc(Br)c2)no1 ZINC000625731470 566354604 /nfs/dbraw/zinc/35/46/04/566354604.db2.gz NFJGXTIJSBFIRF-ZDUSSCGKSA-N -1 3 380.242 3.468 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1C1CC1 ZINC000510015566 566356822 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O=S(=O)(Cc1ccccc1)[N-]c1nn(CC(F)(F)F)cc1Br ZINC000421256981 566360973 /nfs/dbraw/zinc/36/09/73/566360973.db2.gz KEXIFXGUIACZPO-UHFFFAOYSA-N -1 3 398.204 3.150 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)s1 ZINC000557083124 566361115 /nfs/dbraw/zinc/36/11/15/566361115.db2.gz LBWNBGJOGOEXLY-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM [O-]c1ccc(CNc2ncnc3ccc(I)cc32)cc1F ZINC000462860490 566361688 /nfs/dbraw/zinc/36/16/88/566361688.db2.gz HIKWNWOHMVESJL-UHFFFAOYSA-N -1 3 395.175 3.113 20 0 GGADHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000510066456 566361975 /nfs/dbraw/zinc/36/19/75/566361975.db2.gz QQOWHZRVAAZXLB-ZDUSSCGKSA-N -1 3 385.835 3.434 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1cccc(Cl)c1 ZINC000576617129 566362049 /nfs/dbraw/zinc/36/20/49/566362049.db2.gz ULWFUYGXKDHHEJ-QGZVFWFLSA-N -1 3 385.869 3.023 20 0 GGADHM CCC(CC)CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557096772 566362883 /nfs/dbraw/zinc/36/28/83/566362883.db2.gz 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O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000557165185 566370074 /nfs/dbraw/zinc/37/00/74/566370074.db2.gz AWCJXXARLOCZAM-NVXWUHKLSA-N -1 3 391.265 3.074 20 0 GGADHM COc1cc(CNC2([C@@H](C)C(=O)[O-])CC2)cc(Br)c1OC(F)F ZINC000649509548 566370134 /nfs/dbraw/zinc/37/01/34/566370134.db2.gz BEWAXIXPPPEMOB-QMMMGPOBSA-N -1 3 394.212 3.402 20 0 GGADHM COc1ccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)cn1 ZINC000576709142 566371016 /nfs/dbraw/zinc/37/10/16/566371016.db2.gz NXNLNCJDJVFOQT-UHFFFAOYSA-N -1 3 399.208 3.355 20 0 GGADHM COc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)cn1 ZINC000576709142 566371025 /nfs/dbraw/zinc/37/10/25/566371025.db2.gz NXNLNCJDJVFOQT-UHFFFAOYSA-N -1 3 399.208 3.355 20 0 GGADHM COc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cn1 ZINC000576709142 566371030 /nfs/dbraw/zinc/37/10/30/566371030.db2.gz NXNLNCJDJVFOQT-UHFFFAOYSA-N -1 3 399.208 3.355 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)n2)CC1 ZINC000576695252 566371297 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O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl ZINC000576743779 566374734 /nfs/dbraw/zinc/37/47/34/566374734.db2.gz VSSMALKVNXTCKW-WMLDXEAASA-N -1 3 386.300 3.438 20 0 GGADHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421446112 566374969 /nfs/dbraw/zinc/37/49/69/566374969.db2.gz DNFILFZKWHDRNR-UHFFFAOYSA-N -1 3 387.504 3.259 20 0 GGADHM O=C(CCSCc1cc(=O)[n-]c(C2CC2)n1)N1CCc2sccc2C1 ZINC000557275156 566375984 /nfs/dbraw/zinc/37/59/84/566375984.db2.gz JCUSPRLYNZNIKE-UHFFFAOYSA-N -1 3 375.519 3.329 20 0 GGADHM COc1cccc2c(NCC[N-]S(=O)(=O)c3cccs3)cc(C)nc12 ZINC000446979421 566376634 /nfs/dbraw/zinc/37/66/34/566376634.db2.gz KHUUAVMBPZWRGA-UHFFFAOYSA-N -1 3 377.491 3.004 20 0 GGADHM CCC[C@@H](C)N(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000510371827 566377234 /nfs/dbraw/zinc/37/72/34/566377234.db2.gz DCGKEMWOUBKKMH-LLVKDONJSA-N -1 3 396.340 3.102 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CN(C)Cc2ccccc2)c1 ZINC000576783440 566377531 /nfs/dbraw/zinc/37/75/31/566377531.db2.gz WDYIGSDSGASXTN-CQSZACIVSA-N -1 3 382.913 3.147 20 0 GGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(F)c(Br)c1 ZINC000536491138 566377724 /nfs/dbraw/zinc/37/77/24/566377724.db2.gz IOWICHAXSLRVKF-UHFFFAOYSA-N -1 3 378.194 3.020 20 0 GGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000510360956 566378219 /nfs/dbraw/zinc/37/82/19/566378219.db2.gz ASVZHYDSIRWJAF-YGRLFVJLSA-N -1 3 376.400 3.105 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000463049774 566379568 /nfs/dbraw/zinc/37/95/68/566379568.db2.gz UWOSHDAONXSEON-UHFFFAOYSA-N -1 3 380.242 3.060 20 0 GGADHM CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cc(C)nc(=O)[n-]1 ZINC000447057546 566381480 /nfs/dbraw/zinc/38/14/80/566381480.db2.gz FPPFSTWLFFJQPS-GFCCVEGCSA-N -1 3 376.254 3.230 20 0 GGADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)c1ccco1 ZINC000510417866 566381683 /nfs/dbraw/zinc/38/16/83/566381683.db2.gz YEJHBJANLZBUJJ-MNOVXSKESA-N -1 3 391.287 3.043 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccccc2Cl)ccc1F ZINC000557371204 566381814 /nfs/dbraw/zinc/38/18/14/566381814.db2.gz CJDQSVAHVDANCS-UHFFFAOYSA-N -1 3 384.860 3.304 20 0 GGADHM O=C([O-])[C@H]1CC[C@H](NCc2ccc(F)cc2I)CC1 ZINC000600944186 566382092 /nfs/dbraw/zinc/38/20/92/566382092.db2.gz QBOBVMDYHHCODT-OTCDBFHCSA-N -1 3 377.197 3.163 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CC1 ZINC000510440705 566383161 /nfs/dbraw/zinc/38/31/61/566383161.db2.gz CPCDLZYLQTXXAB-ZDUSSCGKSA-N -1 3 378.256 3.296 20 0 GGADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000536559976 566383542 /nfs/dbraw/zinc/38/35/42/566383542.db2.gz FLZLDPDDNGZARP-ZFWWWQNUSA-N -1 3 386.583 3.310 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)cc1Cl ZINC000510444271 566383527 /nfs/dbraw/zinc/38/35/27/566383527.db2.gz NCARVYLTAWSRGA-CQSZACIVSA-N -1 3 390.292 3.165 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000670855103 566383805 /nfs/dbraw/zinc/38/38/05/566383805.db2.gz CCXRJWHLUATUBZ-QWRGUYRKSA-N -1 3 380.215 3.220 20 0 GGADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000557421113 566384278 /nfs/dbraw/zinc/38/42/78/566384278.db2.gz WMJMIRZLOHJSTR-SNVBAGLBSA-N -1 3 376.254 3.183 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000670856858 566384527 /nfs/dbraw/zinc/38/45/27/566384527.db2.gz HBCRACCFRHZEBV-MRVPVSSYSA-N -1 3 393.412 3.160 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000510487463 566388021 /nfs/dbraw/zinc/38/80/21/566388021.db2.gz GRZPNCXCTAFAPV-WCQYABFASA-N -1 3 386.926 3.414 20 0 GGADHM CC(C)CC(=O)NCCC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463163648 566388086 /nfs/dbraw/zinc/38/80/86/566388086.db2.gz MUJLACUKYOPHKI-UHFFFAOYSA-N -1 3 384.267 3.269 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)cc1F ZINC000576902112 566388262 /nfs/dbraw/zinc/38/82/62/566388262.db2.gz VPXDZAVXOZUTDZ-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463164004 566388217 /nfs/dbraw/zinc/38/82/17/566388217.db2.gz SOCWBZZYWPWVPK-GXSJLCMTSA-N -1 3 385.251 3.301 20 0 GGADHM CC(=O)c1cccc(NC(=O)[C@H]2COc3ccc(Br)cc32)c1[O-] ZINC000576902865 566388700 /nfs/dbraw/zinc/38/87/00/566388700.db2.gz XABCMTKAXCOLGR-ZDUSSCGKSA-N -1 3 376.206 3.472 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000463173786 566389022 /nfs/dbraw/zinc/38/90/22/566389022.db2.gz VHOAJQLNWLUPFS-CABCVRRESA-N -1 3 384.567 3.234 20 0 GGADHM O=C(CCCNC(=O)C1CC1)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463172390 566389934 /nfs/dbraw/zinc/38/99/34/566389934.db2.gz PGEMIHDPEOSBEL-UHFFFAOYSA-N -1 3 382.251 3.023 20 0 GGADHM COc1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c(Br)c1[O-] ZINC000576913388 566390080 /nfs/dbraw/zinc/39/00/80/566390080.db2.gz URYVHIHYFPOMDS-CQSZACIVSA-N -1 3 398.219 3.299 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483558410 566390207 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CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N[C@H](C)CC)c1 ZINC000576997853 566396249 /nfs/dbraw/zinc/39/62/49/566396249.db2.gz ZVIPEWIRJOQWLL-UKRRQHHQSA-N -1 3 376.544 3.084 20 0 GGADHM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1ccc2ncsc2c1 ZINC000447257382 566397446 /nfs/dbraw/zinc/39/74/46/566397446.db2.gz ACNANNJECFZWSD-UHFFFAOYSA-N -1 3 375.410 3.021 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1cc(Cl)ccc1OCCC1CC1 ZINC000510601064 566397466 /nfs/dbraw/zinc/39/74/66/566397466.db2.gz PSHILCBQIVUEEH-UHFFFAOYSA-N -1 3 383.844 3.427 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(C)(C)C ZINC000510603794 566398224 /nfs/dbraw/zinc/39/82/24/566398224.db2.gz ZPHBJIFWPFFRLL-AWEZNQCLSA-N -1 3 394.331 3.187 20 0 GGADHM CN1CCN(C(=O)c2cc(C(F)(F)F)n[n-]2)c2ccc(Br)cc21 ZINC000557579903 566398298 /nfs/dbraw/zinc/39/82/98/566398298.db2.gz PHYZNHZKPBRWAS-UHFFFAOYSA-N -1 3 389.175 3.288 20 0 GGADHM CN1CCN(C(=O)c2cc(C(F)(F)F)[n-]n2)c2ccc(Br)cc21 ZINC000557579903 566398303 /nfs/dbraw/zinc/39/83/03/566398303.db2.gz 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CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000536756571 566400353 /nfs/dbraw/zinc/40/03/53/566400353.db2.gz LGZNKHVIUTZNCN-UHFFFAOYSA-N -1 3 399.925 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccncc1F ZINC000510634132 566400760 /nfs/dbraw/zinc/40/07/60/566400760.db2.gz IXIGIRJYNOOEMA-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccncc1F ZINC000510633573 566401515 /nfs/dbraw/zinc/40/15/15/566401515.db2.gz FIFFBTAWNREXRH-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2F)c1 ZINC000510657851 566402356 /nfs/dbraw/zinc/40/23/56/566402356.db2.gz LXYLGYPOZVZYIR-JTQLQIEISA-N -1 3 390.278 3.405 20 0 GGADHM Cc1nccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)n1 ZINC000671157756 566402610 /nfs/dbraw/zinc/40/26/10/566402610.db2.gz RNILDLHCYSBENH-UHFFFAOYSA-N -1 3 384.197 3.050 20 0 GGADHM Cc1nccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)n1 ZINC000671157756 566402616 /nfs/dbraw/zinc/40/26/16/566402616.db2.gz RNILDLHCYSBENH-UHFFFAOYSA-N -1 3 384.197 3.050 20 0 GGADHM Cc1nccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)n1 ZINC000671157756 566402621 /nfs/dbraw/zinc/40/26/21/566402621.db2.gz RNILDLHCYSBENH-UHFFFAOYSA-N -1 3 384.197 3.050 20 0 GGADHM CC1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCOCC1 ZINC000671157654 566402742 /nfs/dbraw/zinc/40/27/42/566402742.db2.gz AMTFBYORWNPYKZ-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM CC1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCOCC1 ZINC000671157654 566402748 /nfs/dbraw/zinc/40/27/48/566402748.db2.gz AMTFBYORWNPYKZ-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM CC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCOCC1 ZINC000671157654 566402755 /nfs/dbraw/zinc/40/27/55/566402755.db2.gz AMTFBYORWNPYKZ-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1F ZINC000510645876 566402955 /nfs/dbraw/zinc/40/29/55/566402955.db2.gz FNEVKSVHPMUPGQ-ZETCQYMHSA-N -1 3 377.235 3.233 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc2[nH]c(C)cc2c1 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3.128 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccccc1Cl ZINC000671177194 566405362 /nfs/dbraw/zinc/40/53/62/566405362.db2.gz RANPXNCIVQTJGR-OAHLLOKOSA-N -1 3 386.901 3.433 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCCCO1 ZINC000671180961 566405417 /nfs/dbraw/zinc/40/54/17/566405417.db2.gz CAFDTDLNXXBGCN-MWLCHTKSSA-N -1 3 382.707 3.338 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]C(C(C)C)C(C)C ZINC000671177440 566405752 /nfs/dbraw/zinc/40/57/52/566405752.db2.gz OXBZKCVIFFCPHE-UHFFFAOYSA-N -1 3 390.933 3.009 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)n1 ZINC000601442961 566406591 /nfs/dbraw/zinc/40/65/91/566406591.db2.gz MAFKEDVCZLLSBH-VIFPVBQESA-N -1 3 388.898 3.185 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(CN3CCCCCC3)cs2)s1 ZINC000421748604 566407134 /nfs/dbraw/zinc/40/71/34/566407134.db2.gz MMLMTPPRFYUVCY-UHFFFAOYSA-N -1 3 399.563 3.236 20 0 GGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000510719285 566407213 /nfs/dbraw/zinc/40/72/13/566407213.db2.gz JJNPFJNHHVZOOX-NWDGAFQWSA-N -1 3 392.974 3.401 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000557677517 566407772 /nfs/dbraw/zinc/40/77/72/566407772.db2.gz XKNDLTMJQLTCQN-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000557677517 566407776 /nfs/dbraw/zinc/40/77/76/566407776.db2.gz XKNDLTMJQLTCQN-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM Cc1cc(I)cc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000557677517 566407782 /nfs/dbraw/zinc/40/77/82/566407782.db2.gz XKNDLTMJQLTCQN-UHFFFAOYSA-N -1 3 378.173 3.123 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)Cc2n[n-]c(-c3cccs3)n2)n1C(C)C ZINC000447370311 566407879 /nfs/dbraw/zinc/40/78/79/566407879.db2.gz ALDIVOKGLNYNPX-UHFFFAOYSA-N -1 3 379.511 3.408 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)Cc2nnc(-c3cccs3)[n-]2)n1C(C)C ZINC000447370311 566407886 /nfs/dbraw/zinc/40/78/86/566407886.db2.gz ALDIVOKGLNYNPX-UHFFFAOYSA-N -1 3 379.511 3.408 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)Cc2nc(-c3cccs3)n[n-]2)n1C(C)C ZINC000447370311 566407891 /nfs/dbraw/zinc/40/78/91/566407891.db2.gz ALDIVOKGLNYNPX-UHFFFAOYSA-N -1 3 379.511 3.408 20 0 GGADHM Cc1c(Br)cc(-c2nc(=O)c3c4c(sc3[n-]2)CCC4)c(=O)n1C ZINC000671192471 566408853 /nfs/dbraw/zinc/40/88/53/566408853.db2.gz KGNRXPXIVHGFEC-UHFFFAOYSA-N -1 3 392.278 3.322 20 0 GGADHM Cc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)c(N2CCCC2)n1 ZINC000626407951 566409009 /nfs/dbraw/zinc/40/90/09/566409009.db2.gz CWFBANWNQHEAHP-UHFFFAOYSA-N -1 3 390.281 3.388 20 0 GGADHM Cc1c(Br)ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000447437340 566410459 /nfs/dbraw/zinc/41/04/59/566410459.db2.gz CTCIODJQJSXMGK-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1c(Br)ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000447437340 566410464 /nfs/dbraw/zinc/41/04/64/566410464.db2.gz CTCIODJQJSXMGK-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000536899375 566411001 /nfs/dbraw/zinc/41/10/01/566411001.db2.gz CTDOOTAPPOSZCX-MRXNPFEDSA-N -1 3 375.824 3.425 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000510775238 566412208 /nfs/dbraw/zinc/41/22/08/566412208.db2.gz AWKMKEQMTSNOMA-BONVTDFDSA-N -1 3 381.523 3.076 20 0 GGADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccc(Br)c(Cl)c2)[n-]1 ZINC000447496337 566412340 /nfs/dbraw/zinc/41/23/40/566412340.db2.gz GAGJZZSIPFHJFB-UHFFFAOYSA-N -1 3 392.706 3.492 20 0 GGADHM Cc1ccc([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000510769872 566412674 /nfs/dbraw/zinc/41/26/74/566412674.db2.gz MWEVJSGGUACOKV-CQSZACIVSA-N -1 3 398.937 3.352 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1OC ZINC000510778000 566412807 /nfs/dbraw/zinc/41/28/07/566412807.db2.gz HRZOMELTXYDXRX-OAHLLOKOSA-N -1 3 381.416 3.412 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccncc1Cl ZINC000421857236 566413775 /nfs/dbraw/zinc/41/37/75/566413775.db2.gz PRAAAXLTVRWAMI-JTQLQIEISA-N -1 3 392.283 3.157 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC(c2ccccc2)CC1 ZINC000510831119 566414976 /nfs/dbraw/zinc/41/49/76/566414976.db2.gz COEOWOTZHZCZJD-UHFFFAOYSA-N -1 3 398.937 3.086 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000510840483 566415342 /nfs/dbraw/zinc/41/53/42/566415342.db2.gz DRUDALYPGUMFBP-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000510840483 566415350 /nfs/dbraw/zinc/41/53/50/566415350.db2.gz DRUDALYPGUMFBP-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000510840483 566415351 /nfs/dbraw/zinc/41/53/51/566415351.db2.gz DRUDALYPGUMFBP-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM CSc1cc(Cl)ccc1[N-]C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000601666198 566415408 /nfs/dbraw/zinc/41/54/08/566415408.db2.gz MRXHUOVSUPAHFQ-UHFFFAOYSA-N -1 3 382.873 3.247 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)cnn1-c1ccccn1 ZINC000536991692 566415762 /nfs/dbraw/zinc/41/57/62/566415762.db2.gz YWWOEPAAWZVHPE-UHFFFAOYSA-N -1 3 384.795 3.308 20 0 GGADHM Cc1ccc(SCCNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000510870220 566416643 /nfs/dbraw/zinc/41/66/43/566416643.db2.gz YRKKXXJCMXJNCS-UHFFFAOYSA-N -1 3 382.482 3.028 20 0 GGADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000536990202 566416885 /nfs/dbraw/zinc/41/68/85/566416885.db2.gz QHXXVOGHULPKAV-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)s1 ZINC000650034319 566416990 /nfs/dbraw/zinc/41/69/90/566416990.db2.gz YMIKMBAHQBMFEA-WCQYABFASA-N -1 3 396.559 3.113 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C)ccc1Br ZINC000577252838 566418106 /nfs/dbraw/zinc/41/81/06/566418106.db2.gz AVIMJOKXWAAPIM-UHFFFAOYSA-N -1 3 378.288 3.414 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)s1 ZINC000650053008 566418255 /nfs/dbraw/zinc/41/82/55/566418255.db2.gz QKSASTJHLOZUAA-CMPLNLGQSA-N -1 3 380.482 3.049 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(C)c2)s1 ZINC000650057051 566418717 /nfs/dbraw/zinc/41/87/17/566418717.db2.gz JGPUKSAQHDJSDZ-NEPJUHHUSA-N -1 3 384.498 3.432 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000577268923 566419466 /nfs/dbraw/zinc/41/94/66/566419466.db2.gz UNXPSRCVXQYXLB-QMMMGPOBSA-N -1 3 377.413 3.085 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)ccc1F ZINC000421945951 566419490 /nfs/dbraw/zinc/41/94/90/566419490.db2.gz RWMXNIGMFIDORA-JTQLQIEISA-N -1 3 382.379 3.002 20 0 GGADHM Cc1cc(C2CCN(C(=O)c3cc(=O)[n-]cn3)CC2)ccc1Br ZINC000626532842 566420489 /nfs/dbraw/zinc/42/04/89/566420489.db2.gz TWSVLMMPSNAFHC-UHFFFAOYSA-N -1 3 376.254 3.273 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CN1C1CC1 ZINC000447646983 566421762 /nfs/dbraw/zinc/42/17/62/566421762.db2.gz WYDWWJWJXFXIQT-MWLCHTKSSA-N -1 3 382.835 3.262 20 0 GGADHM Cc1ccc(Cl)c2sc(NC(=O)CNC(=O)c3cccc([O-])c3)nc21 ZINC000557818662 566421937 /nfs/dbraw/zinc/42/19/37/566421937.db2.gz YINQIRMRDHPAID-UHFFFAOYSA-N -1 3 375.837 3.332 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)s1 ZINC000557820517 566423510 /nfs/dbraw/zinc/42/35/10/566423510.db2.gz QWRIBNCRRMGBGT-UHFFFAOYSA-N -1 3 399.544 3.292 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2Cl)C(C)C)s1 ZINC000557825250 566423786 /nfs/dbraw/zinc/42/37/86/566423786.db2.gz CXGUFAATYZYSOG-CQSZACIVSA-N -1 3 387.914 3.431 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000601768726 566423821 /nfs/dbraw/zinc/42/38/21/566423821.db2.gz FXMDSJDLPBQNRD-UHFFFAOYSA-N -1 3 382.844 3.405 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC000557820173 566423892 /nfs/dbraw/zinc/42/38/92/566423892.db2.gz QMEXKQMMNPJIAD-UHFFFAOYSA-N -1 3 379.331 3.211 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2Cl)C(C)C)s1 ZINC000557825247 566423929 /nfs/dbraw/zinc/42/39/29/566423929.db2.gz CXGUFAATYZYSOG-AWEZNQCLSA-N -1 3 387.914 3.431 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)sc1Br ZINC000511222936 566447086 /nfs/dbraw/zinc/44/70/86/566447086.db2.gz ODMLLRNYUZCSQY-LLVKDONJSA-N -1 3 382.345 3.039 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000650119860 566424172 /nfs/dbraw/zinc/42/41/72/566424172.db2.gz PLCASTNBMGJZTC-SFYZADRCSA-N -1 3 393.715 3.207 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccccc1 ZINC000557827813 566424320 /nfs/dbraw/zinc/42/43/20/566424320.db2.gz XQHMKLMIKKKBHK-UHFFFAOYSA-N -1 3 381.523 3.138 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000650119861 566424668 /nfs/dbraw/zinc/42/46/68/566424668.db2.gz PLCASTNBMGJZTC-YUMQZZPRSA-N -1 3 393.715 3.207 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1c(F)cncc1F ZINC000510965626 566425217 /nfs/dbraw/zinc/42/52/17/566425217.db2.gz HPDYDQOLFQYZFA-MRVPVSSYSA-N -1 3 382.310 3.298 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)s1 ZINC000557832629 566425390 /nfs/dbraw/zinc/42/53/90/566425390.db2.gz AZKGROPFUDIKSQ-GJZGRUSLSA-N -1 3 379.507 3.106 20 0 GGADHM COc1cccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000511001957 566425850 /nfs/dbraw/zinc/42/58/50/566425850.db2.gz SIOJLNAGNOWABJ-GFCCVEGCSA-N -1 3 386.876 3.117 20 0 GGADHM CC[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cn1 ZINC000510995535 566426214 /nfs/dbraw/zinc/42/62/14/566426214.db2.gz FCXNBDSESWOZES-AWEZNQCLSA-N -1 3 389.855 3.032 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)c1ccon1 ZINC000557841347 566426865 /nfs/dbraw/zinc/42/68/65/566426865.db2.gz QQDLQJYOWZJZPO-VIFPVBQESA-N -1 3 382.239 3.025 20 0 GGADHM COc1cccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000511001958 566426790 /nfs/dbraw/zinc/42/67/90/566426790.db2.gz SIOJLNAGNOWABJ-LBPRGKRZSA-N -1 3 386.876 3.117 20 0 GGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cn1 ZINC000510995536 566426914 /nfs/dbraw/zinc/42/69/14/566426914.db2.gz FCXNBDSESWOZES-CQSZACIVSA-N -1 3 389.855 3.032 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@@H]2C)s1 ZINC000557836156 566427233 /nfs/dbraw/zinc/42/72/33/566427233.db2.gz NOLIOKSFLGVLHP-MEDUHNTESA-N -1 3 379.507 3.094 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)c1ccon1 ZINC000557841346 566427246 /nfs/dbraw/zinc/42/72/46/566427246.db2.gz QQDLQJYOWZJZPO-SECBINFHSA-N -1 3 382.239 3.025 20 0 GGADHM CCn1c2ccc(Br)cc2nc1[N-]C(=O)C(=O)N1CCC(C)CC1 ZINC000577352245 566427821 /nfs/dbraw/zinc/42/78/21/566427821.db2.gz SUYQNZNCRAMMEJ-UHFFFAOYSA-N -1 3 393.285 3.016 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)cc1Cl ZINC000537181345 566428202 /nfs/dbraw/zinc/42/82/02/566428202.db2.gz USRJYYOHPUZPHH-NSHDSACASA-N -1 3 396.336 3.469 20 0 GGADHM CC(C)SCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000557853988 566428460 /nfs/dbraw/zinc/42/84/60/566428460.db2.gz CAALVESBFUSBJE-ZDUSSCGKSA-N -1 3 393.958 3.175 20 0 GGADHM COC(=O)[C@H](CNC(=O)c1sccc1SC)Cc1ccc([O-])c(F)c1 ZINC000422035815 566428755 /nfs/dbraw/zinc/42/87/55/566428755.db2.gz HLDAVCRMVOQENV-NSHDSACASA-N -1 3 383.466 3.076 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1c(F)cncc1F ZINC000511026902 566429375 /nfs/dbraw/zinc/42/93/75/566429375.db2.gz GIRDCUFRAHGEHD-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1c(F)cncc1F ZINC000511030773 566429441 /nfs/dbraw/zinc/42/94/41/566429441.db2.gz MWMAVUDZQNNGNZ-ZETCQYMHSA-N -1 3 382.310 3.140 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1ccc(F)cc1Cl ZINC000557864005 566429464 /nfs/dbraw/zinc/42/94/64/566429464.db2.gz OXYFKEOYGAVVQB-SNVBAGLBSA-N -1 3 378.252 3.187 20 0 GGADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447782776 566429683 /nfs/dbraw/zinc/42/96/83/566429683.db2.gz JDNFOFYKCUIPLV-UHFFFAOYSA-N -1 3 396.749 3.398 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000557863307 566430078 /nfs/dbraw/zinc/43/00/78/566430078.db2.gz AXFNGLOROHRAPP-GFCCVEGCSA-N -1 3 383.491 3.361 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1ccc(Cl)cc1F ZINC000557860267 566430205 /nfs/dbraw/zinc/43/02/05/566430205.db2.gz RFXDKIQGYNCMPP-JTQLQIEISA-N -1 3 378.252 3.187 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000557864999 566431337 /nfs/dbraw/zinc/43/13/37/566431337.db2.gz YVIPFJBSJBIUEF-RFAUZJTJSA-N -1 3 386.242 3.389 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)cc1Br ZINC000484486721 566432461 /nfs/dbraw/zinc/43/24/61/566432461.db2.gz KVVLCTPBVXOMFF-UHFFFAOYSA-N -1 3 386.267 3.405 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1 ZINC000484573482 566436722 /nfs/dbraw/zinc/43/67/22/566436722.db2.gz XVUQVRFAWRHKMX-UHFFFAOYSA-N -1 3 387.816 3.465 20 0 GGADHM CCN(CCNC(=O)c1cc([O-])cc(Br)c1)CCC(F)(F)F ZINC000626658516 566436797 /nfs/dbraw/zinc/43/67/97/566436797.db2.gz LQILICGWSHYHTH-UHFFFAOYSA-N -1 3 383.208 3.159 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@@H]2CCO[C@H]21 ZINC000671676902 566437027 /nfs/dbraw/zinc/43/70/27/566437027.db2.gz KILJPPNBMSVKAM-ZWKOPEQDSA-N -1 3 383.819 3.451 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cnccc1C ZINC000650202605 566437447 /nfs/dbraw/zinc/43/74/47/566437447.db2.gz JGHFQYOMZIHVFN-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM CCCN(C)[C@H](CNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601985491 566437851 /nfs/dbraw/zinc/43/78/51/566437851.db2.gz ZKRYHTQFIPFCMY-XJKCOSOUSA-N -1 3 386.945 3.434 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nncn2C2CC2)c1Cl ZINC000671684979 566438316 /nfs/dbraw/zinc/43/83/16/566438316.db2.gz XWEPRTFOXBSWAQ-UHFFFAOYSA-N -1 3 375.281 3.015 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-]CC(C)(C)Oc2cc(F)cc(F)c2)cs1 ZINC000671687077 566438339 /nfs/dbraw/zinc/43/83/39/566438339.db2.gz GWNDPNBMNUQGHR-UHFFFAOYSA-N -1 3 376.450 3.007 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000484594669 566438532 /nfs/dbraw/zinc/43/85/32/566438532.db2.gz CSEMLKJTLPDBGT-UHFFFAOYSA-N -1 3 383.853 3.449 20 0 GGADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(F)(F)F ZINC000463873219 566439163 /nfs/dbraw/zinc/43/91/63/566439163.db2.gz RWNFRVYWFSBKKX-LURJTMIESA-N -1 3 378.294 3.214 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cs1 ZINC000447875165 566442096 /nfs/dbraw/zinc/44/20/96/566442096.db2.gz OOLQWOZJFQWQGS-QMMMGPOBSA-N -1 3 398.403 3.487 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447874060 566442315 /nfs/dbraw/zinc/44/23/15/566442315.db2.gz UZJLSFUFGHQRTA-UHFFFAOYSA-N -1 3 380.363 3.436 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1cccc(Cl)c1Br ZINC000511164925 566442633 /nfs/dbraw/zinc/44/26/33/566442633.db2.gz DLGDCJHFJBQWCK-LLVKDONJSA-N -1 3 396.734 3.322 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(OC)ccc1Br ZINC000484647805 566443765 /nfs/dbraw/zinc/44/37/65/566443765.db2.gz WWPPFVJEYPQZPN-UHFFFAOYSA-N -1 3 386.267 3.405 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1cc(Cl)ccc1Br ZINC000511193230 566443946 /nfs/dbraw/zinc/44/39/46/566443946.db2.gz TXGGEFYXTWDPDL-GFCCVEGCSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1ccc(Cl)cc1Br ZINC000511190942 566444338 /nfs/dbraw/zinc/44/43/38/566444338.db2.gz OEMPEHJZUZNGTG-GFCCVEGCSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1cc(Br)ccc1Cl ZINC000511206516 566444829 /nfs/dbraw/zinc/44/48/29/566444829.db2.gz LKEUTXDYWVVYOG-GFCCVEGCSA-N -1 3 396.734 3.322 20 0 GGADHM CC(C)(C)c1cnc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000447896623 566445314 /nfs/dbraw/zinc/44/53/14/566445314.db2.gz KCHLNSQXBCSQTK-UHFFFAOYSA-N -1 3 393.987 3.224 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000650284827 566445846 /nfs/dbraw/zinc/44/58/46/566445846.db2.gz AWARAHAHRMARAU-HNNXBMFYSA-N -1 3 392.308 3.026 20 0 GGADHM Cc1ccc(F)c([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1Br ZINC000484679311 566446316 /nfs/dbraw/zinc/44/63/16/566446316.db2.gz LYNCXQQXIGMBRV-UHFFFAOYSA-N -1 3 376.203 3.145 20 0 GGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000537437331 566447148 /nfs/dbraw/zinc/44/71/48/566447148.db2.gz NBWYJCXSQRBYGS-QWHCGFSZSA-N -1 3 394.306 3.460 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)sc1Br ZINC000511222938 566447279 /nfs/dbraw/zinc/44/72/79/566447279.db2.gz ODMLLRNYUZCSQY-NSHDSACASA-N -1 3 382.345 3.039 20 0 GGADHM Cc1nc2cc(Cl)c([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2s1 ZINC000484699711 566447633 /nfs/dbraw/zinc/44/76/33/566447633.db2.gz JDKNLXBASIWXRA-UHFFFAOYSA-N -1 3 399.881 3.354 20 0 GGADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000577596425 566448800 /nfs/dbraw/zinc/44/88/00/566448800.db2.gz HBGLFEITVWWGRB-UHFFFAOYSA-N -1 3 382.295 3.319 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000558084490 566448923 /nfs/dbraw/zinc/44/89/23/566448923.db2.gz MLELEZSCVAWBMF-GMXVVIOVSA-N -1 3 388.917 3.410 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000558084491 566449064 /nfs/dbraw/zinc/44/90/64/566449064.db2.gz MLELEZSCVAWBMF-NQBHXWOUSA-N -1 3 388.917 3.410 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)c(Cl)c1Cl ZINC000511255989 566449282 /nfs/dbraw/zinc/44/92/82/566449282.db2.gz CBSODEFJRFGHAR-LLVKDONJSA-N -1 3 382.309 3.222 20 0 GGADHM C[C@@H](Oc1ccccc1F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511264557 566449910 /nfs/dbraw/zinc/44/99/10/566449910.db2.gz FGNAFYRGFNHXQY-SNVBAGLBSA-N -1 3 378.201 3.064 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C(C)(C)CN3CCCC3)s2)cs1 ZINC000650341005 566450011 /nfs/dbraw/zinc/45/00/11/566450011.db2.gz YWIPOOORETZYQF-UHFFFAOYSA-N -1 3 385.580 3.333 20 0 GGADHM CC(=O)Nc1ccc(C)c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511283010 566451053 /nfs/dbraw/zinc/45/10/53/566451053.db2.gz DFVYMSJSFWPHCZ-UHFFFAOYSA-N -1 3 387.237 3.038 20 0 GGADHM Cc1ccc2c(c1)CC[C@@H](C(=O)N=c1cc3ccc(Br)cn3[n-]1)O2 ZINC000511276999 566451158 /nfs/dbraw/zinc/45/11/58/566451158.db2.gz KHYHFHNYJMOSIN-INIZCTEOSA-N -1 3 386.249 3.159 20 0 GGADHM O=C(Nc1ccc2nc[nH]c2c1)c1ccc(I)c([O-])c1 ZINC000511294307 566451314 /nfs/dbraw/zinc/45/13/14/566451314.db2.gz FHAWGXONUTZOQZ-UHFFFAOYSA-N -1 3 379.157 3.125 20 0 GGADHM C[C@H](Oc1ccc(F)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511298847 566452428 /nfs/dbraw/zinc/45/24/28/566452428.db2.gz AAWUEEZBKZPEFW-JTQLQIEISA-N -1 3 378.201 3.064 20 0 GGADHM C[C@@H]1[C@H](C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCN1c1ccccc1 ZINC000511302339 566452681 /nfs/dbraw/zinc/45/26/81/566452681.db2.gz CYTAOGGADRGARR-CXAGYDPISA-N -1 3 399.292 3.372 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1occc1Br ZINC000511307761 566452689 /nfs/dbraw/zinc/45/26/89/566452689.db2.gz SNGCMHZUJCRNPM-UHFFFAOYSA-N -1 3 385.015 3.127 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CSCc1ccc(Br)cc1)C2 ZINC000602191966 566453221 /nfs/dbraw/zinc/45/32/21/566453221.db2.gz BEZBAMQCPHKXDE-UHFFFAOYSA-N -1 3 394.294 3.029 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000484770538 566453363 /nfs/dbraw/zinc/45/33/63/566453363.db2.gz SJPLVWBPJYMDOK-RYUDHWBXSA-N -1 3 379.345 3.187 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(SC)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000464188071 566453434 /nfs/dbraw/zinc/45/34/34/566453434.db2.gz DMPABSXWDFOBRZ-KOLCDFICSA-N -1 3 377.837 3.042 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nnc2ccccn21 ZINC000464194723 566453619 /nfs/dbraw/zinc/45/36/19/566453619.db2.gz MWIRSSAXJHYGCV-CYBMUJFWSA-N -1 3 382.848 3.342 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)s1 ZINC000484770928 566453691 /nfs/dbraw/zinc/45/36/91/566453691.db2.gz USNBUHCLFCULHG-LBPRGKRZSA-N -1 3 383.491 3.200 20 0 GGADHM COc1nc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc2ccccc21 ZINC000511325812 566454118 /nfs/dbraw/zinc/45/41/18/566454118.db2.gz ZONDLKDDTQESAY-UHFFFAOYSA-N -1 3 397.232 3.328 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000484779211 566454364 /nfs/dbraw/zinc/45/43/64/566454364.db2.gz SBHPWDUHSPBROP-RWMBFGLXSA-N -1 3 387.523 3.181 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000484779189 566454438 /nfs/dbraw/zinc/45/44/38/566454438.db2.gz SBHPWDUHSPBROP-FRRDWIJNSA-N -1 3 387.523 3.181 20 0 GGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000464202326 566455150 /nfs/dbraw/zinc/45/51/50/566455150.db2.gz ZPAGNKAQRILBKG-NWDGAFQWSA-N -1 3 378.947 3.107 20 0 GGADHM C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCCC1 ZINC000671862660 566455131 /nfs/dbraw/zinc/45/51/31/566455131.db2.gz BLTVKNMBWYDFNF-LLVKDONJSA-N -1 3 393.336 3.214 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2C)s1 ZINC000484783937 566455157 /nfs/dbraw/zinc/45/51/57/566455157.db2.gz LQRGYGCMWLKHPB-GHMZBOCLSA-N -1 3 375.512 3.036 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)C2)s1 ZINC000484783688 566455215 /nfs/dbraw/zinc/45/52/15/566455215.db2.gz BXQZTHMSANURIF-NWDGAFQWSA-N -1 3 375.512 3.036 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](C)CSc2ccccc2)ccc1F ZINC000671854942 566455506 /nfs/dbraw/zinc/45/55/06/566455506.db2.gz AJVKKVOSWFBFTQ-LBPRGKRZSA-N -1 3 382.482 3.101 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CCc2ccc(C)c(Cl)c2)ccc1F ZINC000671854709 566455529 /nfs/dbraw/zinc/45/55/29/566455529.db2.gz CBCVHSFPHHAZTN-UHFFFAOYSA-N -1 3 384.860 3.267 20 0 GGADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000484800166 566455969 /nfs/dbraw/zinc/45/59/69/566455969.db2.gz XFSCQPFOMRNPHR-RYUDHWBXSA-N -1 3 379.345 3.187 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccccc1Cl ZINC000464214712 566456104 /nfs/dbraw/zinc/45/61/04/566456104.db2.gz ZXBGBFGMPDUCRB-UHFFFAOYSA-N -1 3 376.236 3.435 20 0 GGADHM CCCC1CCC([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000484799359 566456153 /nfs/dbraw/zinc/45/61/53/566456153.db2.gz VCTGIYGXWQVYPU-UHFFFAOYSA-N -1 3 375.512 3.181 20 0 GGADHM COC(=O)c1[n-]c(=NCCNc2ncc(C(F)(F)F)cc2Cl)sc1C ZINC000577691176 566456458 /nfs/dbraw/zinc/45/64/58/566456458.db2.gz OWZMRRDZMKFEMV-UHFFFAOYSA-N -1 3 394.806 3.251 20 0 GGADHM CC[C@H](Oc1ccccc1F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511357267 566456808 /nfs/dbraw/zinc/45/68/08/566456808.db2.gz YWYKIJJHDBBRNR-AWEZNQCLSA-N -1 3 392.228 3.454 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ncccc1C(F)(F)F ZINC000511354077 566457155 /nfs/dbraw/zinc/45/71/55/566457155.db2.gz ANWQHBLOUYPINK-UHFFFAOYSA-N -1 3 385.143 3.185 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000511357673 566457188 /nfs/dbraw/zinc/45/71/88/566457188.db2.gz ZZSQIYILIYUJOY-LPHOPBHVSA-N -1 3 382.261 3.361 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOc3c(OC)cccc32)c1 ZINC000602255487 566457447 /nfs/dbraw/zinc/45/74/47/566457447.db2.gz UIRNMWZQSDAXEW-AWEZNQCLSA-N -1 3 383.853 3.159 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(F)cccc2Br)c1 ZINC000448127470 566457575 /nfs/dbraw/zinc/45/75/75/566457575.db2.gz XTCAHOKQIJWJMN-UHFFFAOYSA-N -1 3 376.251 3.242 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1Cl ZINC000511363729 566457689 /nfs/dbraw/zinc/45/76/89/566457689.db2.gz SESLSUNSTRDFAS-UHFFFAOYSA-N -1 3 384.807 3.309 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c1 ZINC000511367737 566457759 /nfs/dbraw/zinc/45/77/59/566457759.db2.gz SUDAAINRWHPWTL-UHFFFAOYSA-N -1 3 383.363 3.013 20 0 GGADHM COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc([O-])ccc1Br ZINC000537646772 566459020 /nfs/dbraw/zinc/45/90/20/566459020.db2.gz JZSYQNOAPWUDEU-KRWDZBQOSA-N -1 3 376.250 3.427 20 0 GGADHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000511376933 566459190 /nfs/dbraw/zinc/45/91/90/566459190.db2.gz IKXYPYILZKYTPE-UHFFFAOYSA-N -1 3 376.812 3.122 20 0 GGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000537640934 566459193 /nfs/dbraw/zinc/45/91/93/566459193.db2.gz JBZPEJHTHCJMKF-GFCCVEGCSA-N -1 3 391.265 3.172 20 0 GGADHM O=C(N[C@H]1CCSC1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000464241229 566459281 /nfs/dbraw/zinc/45/92/81/566459281.db2.gz WDZQPILVMBPMFM-ZDUSSCGKSA-N -1 3 396.921 3.376 20 0 GGADHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2sccc2Br)cn1 ZINC000602276053 566459638 /nfs/dbraw/zinc/45/96/38/566459638.db2.gz YAUDFBZDFJXFAD-VIFPVBQESA-N -1 3 378.317 3.328 20 0 GGADHM CC(C)n1ncc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1C1CC1 ZINC000511382522 566459674 /nfs/dbraw/zinc/45/96/74/566459674.db2.gz KOPLUOLSNWQYLG-UHFFFAOYSA-N -1 3 388.269 3.426 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2c(OC)cccc2OC(F)(F)F)s1 ZINC000511381870 566459784 /nfs/dbraw/zinc/45/97/84/566459784.db2.gz KDYHXRRLOHLODV-UHFFFAOYSA-N -1 3 396.412 3.091 20 0 GGADHM CCn1cc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000511383607 566459801 /nfs/dbraw/zinc/45/98/01/566459801.db2.gz NUMZFYBKLQUJNP-UHFFFAOYSA-N -1 3 382.898 3.158 20 0 GGADHM C[C@H](CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)Sc1ccccc1 ZINC000464254581 566460328 /nfs/dbraw/zinc/46/03/28/566460328.db2.gz AAESDIDIUHQKEU-GFCCVEGCSA-N -1 3 382.482 3.108 20 0 GGADHM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000448157613 566460764 /nfs/dbraw/zinc/46/07/64/566460764.db2.gz BJOMLZKWFWBKOL-UHFFFAOYSA-N -1 3 381.325 3.213 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CCCN1Cc1ccccc1 ZINC000511389234 566460706 /nfs/dbraw/zinc/46/07/06/566460706.db2.gz AIJNPLIKHSGUAT-QGZVFWFLSA-N -1 3 399.292 3.122 20 0 GGADHM CCc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000537665739 566460919 /nfs/dbraw/zinc/46/09/19/566460919.db2.gz UCNHHGSAVTUUJA-UHFFFAOYSA-N -1 3 391.265 3.280 20 0 GGADHM CCOCCC1(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCCC1 ZINC000511390595 566461125 /nfs/dbraw/zinc/46/11/25/566461125.db2.gz KHGXRNXIQRBEHW-UHFFFAOYSA-N -1 3 380.286 3.444 20 0 GGADHM CCc1nc2ccccc2n1CC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511391858 566461345 /nfs/dbraw/zinc/46/13/45/566461345.db2.gz RCJAUANWZZMAQB-UHFFFAOYSA-N -1 3 398.264 3.070 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCSCC(F)(F)F)sc1Br ZINC000537655824 566461475 /nfs/dbraw/zinc/46/14/75/566461475.db2.gz NYXGIURFXUFMID-UHFFFAOYSA-N -1 3 398.291 3.393 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1CCCN1Cc1ccccc1 ZINC000511389233 566461576 /nfs/dbraw/zinc/46/15/76/566461576.db2.gz AIJNPLIKHSGUAT-KRWDZBQOSA-N -1 3 399.292 3.122 20 0 GGADHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cc(C)ccc2Cl)n1 ZINC000511393422 566461607 /nfs/dbraw/zinc/46/16/07/566461607.db2.gz CXPOYZCMZVXREU-UHFFFAOYSA-N -1 3 376.812 3.122 20 0 GGADHM COc1cc2c(cc1C[N-]S(=O)(=O)c1cc(F)ccc1Cl)O[C@@H](C)C2 ZINC000448168009 566462232 /nfs/dbraw/zinc/46/22/32/566462232.db2.gz MHKMGCKOQKNRBO-JTQLQIEISA-N -1 3 385.844 3.290 20 0 GGADHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n1 ZINC000511401225 566462778 /nfs/dbraw/zinc/46/27/78/566462778.db2.gz VKTMJKDEKSCXDM-UHFFFAOYSA-N -1 3 376.812 3.122 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)c(F)cc1Br)c1ccc(F)cc1F ZINC000511409382 566462888 /nfs/dbraw/zinc/46/28/88/566462888.db2.gz BXCKQRAETQLYJO-UHFFFAOYSA-N -1 3 398.175 3.484 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cc1C(N)=O ZINC000577795830 566463762 /nfs/dbraw/zinc/46/37/62/566463762.db2.gz WAWGEQNJYGPPER-UHFFFAOYSA-N -1 3 390.795 3.186 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000511438728 566465049 /nfs/dbraw/zinc/46/50/49/566465049.db2.gz KHZFHFHERPTFEV-JHJVBQTASA-N -1 3 390.958 3.155 20 0 GGADHM O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1c([O-])cccc1O ZINC000537721031 566465322 /nfs/dbraw/zinc/46/53/22/566465322.db2.gz SEVNZZRFISQDLL-UHFFFAOYSA-N -1 3 375.734 3.007 20 0 GGADHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)c1cccc(Cl)c1 ZINC000577802377 566466163 /nfs/dbraw/zinc/46/61/63/566466163.db2.gz VHXKFEJIVAYKGW-OAHLLOKOSA-N -1 3 384.860 3.025 20 0 GGADHM COc1cc(Br)c(Cc2nc3ccc([O-])cc3c(=O)[nH]2)cc1OC ZINC000484960550 566466527 /nfs/dbraw/zinc/46/65/27/566466527.db2.gz IGLOAWWKDCAKES-UHFFFAOYSA-N -1 3 391.221 3.412 20 0 GGADHM O=S1(=O)CC[C@@H](c2nc(C3(c4cccc(Cl)c4)CCCCC3)no2)[N-]1 ZINC000650620285 566467410 /nfs/dbraw/zinc/46/74/10/566467410.db2.gz YIOQNSDQXHPLKV-AWEZNQCLSA-N -1 3 381.885 3.337 20 0 GGADHM CCCN(CCC)S(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000537743083 566467455 /nfs/dbraw/zinc/46/74/55/566467455.db2.gz MBSPNOQAQBREDN-OAHLLOKOSA-N -1 3 386.905 3.077 20 0 GGADHM CCOCC1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CC1 ZINC000558388524 566467462 /nfs/dbraw/zinc/46/74/62/566467462.db2.gz NUYIAHNPOHYEDH-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM CCOCC1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CC1 ZINC000558388524 566467470 /nfs/dbraw/zinc/46/74/70/566467470.db2.gz NUYIAHNPOHYEDH-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM CCOCC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000558388524 566467477 /nfs/dbraw/zinc/46/74/77/566467477.db2.gz NUYIAHNPOHYEDH-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000537742829 566467613 /nfs/dbraw/zinc/46/76/13/566467613.db2.gz IJLXTGMOCMVJLW-JDNHERCYSA-N -1 3 377.359 3.298 20 0 GGADHM CCOC(=O)c1nc[n-]c1NC(=O)CSc1ccc(Br)cc1C ZINC000537750667 566467647 /nfs/dbraw/zinc/46/76/47/566467647.db2.gz BBEAYBIRGNHYSU-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CCOC(=O)c1[n-]cnc1NC(=O)CSc1ccc(Br)cc1C ZINC000537750667 566467653 /nfs/dbraw/zinc/46/76/53/566467653.db2.gz BBEAYBIRGNHYSU-UHFFFAOYSA-N -1 3 398.282 3.388 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)s1 ZINC000537750380 566467908 /nfs/dbraw/zinc/46/79/08/566467908.db2.gz VFRZZGHGIHWCRV-UHFFFAOYSA-N -1 3 399.346 3.231 20 0 GGADHM COc1ccc(CNc2nc3ccc(F)cc3n2C)c(Br)c1[O-] ZINC000464348362 566467979 /nfs/dbraw/zinc/46/79/79/566467979.db2.gz AMBPASHHTGVVSD-UHFFFAOYSA-N -1 3 380.217 3.223 20 0 GGADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000464362029 566468804 /nfs/dbraw/zinc/46/88/04/566468804.db2.gz GLLZARQPESFTBA-ZETCQYMHSA-N -1 3 393.305 3.111 20 0 GGADHM CN(C)c1n[nH]c([N-]C(=O)c2c(F)ccc(C(F)(F)F)c2Br)n1 ZINC000627135722 566469337 /nfs/dbraw/zinc/46/93/37/566469337.db2.gz HBCUYBSPFCOWCF-UHFFFAOYSA-N -1 3 396.142 3.043 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000464365540 566469381 /nfs/dbraw/zinc/46/93/81/566469381.db2.gz OLSFSXXVGOMVNA-MRVPVSSYSA-N -1 3 390.221 3.385 20 0 GGADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000464368153 566469545 /nfs/dbraw/zinc/46/95/45/566469545.db2.gz TYSJHEFPNBDPSN-MRVPVSSYSA-N -1 3 389.237 3.134 20 0 GGADHM Cc1c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000464373421 566471112 /nfs/dbraw/zinc/47/11/12/566471112.db2.gz FCRMTNGGJLQHOF-VIFPVBQESA-N -1 3 381.807 3.453 20 0 GGADHM COc1ccc(C(=O)C(=O)[N-]c2nc(-c3cccs3)nn2C)cc1Cl ZINC000448403223 566473512 /nfs/dbraw/zinc/47/35/12/566473512.db2.gz XEINJDKUPOEBSB-UHFFFAOYSA-N -1 3 376.825 3.027 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2cc(Cl)sc2Cl)ccc1F ZINC000537816577 566473513 /nfs/dbraw/zinc/47/35/13/566473513.db2.gz POWJPRFZBCVQRT-UHFFFAOYSA-N -1 3 397.280 3.496 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)cn1 ZINC000577892492 566474173 /nfs/dbraw/zinc/47/41/73/566474173.db2.gz TWAGZAMNEFLMJY-UHFFFAOYSA-N -1 3 375.219 3.101 20 0 GGADHM CC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCCC1 ZINC000511593207 566475760 /nfs/dbraw/zinc/47/57/60/566475760.db2.gz NPYYJSDJKURYNG-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2n[nH]c(C3CC3)c2Br)c([O-])c1 ZINC000537827030 566476133 /nfs/dbraw/zinc/47/61/33/566476133.db2.gz BSQBUUPFBJFERW-UHFFFAOYSA-N -1 3 394.225 3.184 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000558463464 566476822 /nfs/dbraw/zinc/47/68/22/566476822.db2.gz FDJLNBHSCLLFGV-OAHLLOKOSA-N -1 3 379.247 3.308 20 0 GGADHM C[C@](CNCc1cc2c(cc1Br)OCO2)(C(=O)[O-])c1ccccc1 ZINC000650799481 566478897 /nfs/dbraw/zinc/47/88/97/566478897.db2.gz DGQMNPXVPYVREA-GOSISDBHSA-N -1 3 392.249 3.310 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc3cc(C)ccc3s2)s1 ZINC000558476549 566478859 /nfs/dbraw/zinc/47/88/59/566478859.db2.gz XCGZKUPUYBZGOO-UHFFFAOYSA-N -1 3 380.516 3.109 20 0 GGADHM C[C@@](CNCc1cc2c(cc1Br)OCO2)(C(=O)[O-])c1ccccc1 ZINC000650799482 566479090 /nfs/dbraw/zinc/47/90/90/566479090.db2.gz DGQMNPXVPYVREA-SFHVURJKSA-N -1 3 392.249 3.310 20 0 GGADHM CN(C)c1ncn(-c2cccc(NCc3cc([O-])ccc3Br)c2)n1 ZINC000558490127 566480394 /nfs/dbraw/zinc/48/03/94/566480394.db2.gz SXRDXIMTPRZUPB-UHFFFAOYSA-N -1 3 388.269 3.414 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000537930143 566480701 /nfs/dbraw/zinc/48/07/01/566480701.db2.gz BBGFWTRAWNAZKZ-RYUDHWBXSA-N -1 3 378.947 3.107 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000672332945 566480799 /nfs/dbraw/zinc/48/07/99/566480799.db2.gz XEHYABXBLHOSLH-LLVKDONJSA-N -1 3 393.515 3.177 20 0 GGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000627455138 566481250 /nfs/dbraw/zinc/48/12/50/566481250.db2.gz MHIJDOFAJVUXNV-ZDUSSCGKSA-N -1 3 377.238 3.152 20 0 GGADHM CC(C)N(C)C[C@@H](C)NC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000558497167 566481795 /nfs/dbraw/zinc/48/17/95/566481795.db2.gz UGJTXDZAGKMVNH-SNVBAGLBSA-N -1 3 385.896 3.270 20 0 GGADHM CCN1CCC(NC(=O)N=c2nc(Sc3ccc(C)cc3)[n-]s2)CC1 ZINC000558499663 566481866 /nfs/dbraw/zinc/48/18/66/566481866.db2.gz FAALJVROSDMPCN-UHFFFAOYSA-N -1 3 377.539 3.025 20 0 GGADHM Cc1cccc(Cl)c1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000448622900 566483993 /nfs/dbraw/zinc/48/39/93/566483993.db2.gz RTSOFQDHGRLZTA-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM CN(C)Cc1ccccc1NC(=O)c1ccc(I)c([O-])c1 ZINC000558541301 566483939 /nfs/dbraw/zinc/48/39/39/566483939.db2.gz XTWULBPFFXCPGT-UHFFFAOYSA-N -1 3 396.228 3.311 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)s1 ZINC000578019787 566484708 /nfs/dbraw/zinc/48/47/08/566484708.db2.gz GFDBKMANJBKDJM-INIZCTEOSA-N -1 3 379.507 3.311 20 0 GGADHM Nc1cccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000464551698 566484740 /nfs/dbraw/zinc/48/47/40/566484740.db2.gz ISHZPZBIWGRVHL-UHFFFAOYSA-N -1 3 381.704 3.225 20 0 GGADHM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1F ZINC000578043856 566485849 /nfs/dbraw/zinc/48/58/49/566485849.db2.gz UYXGCPKYCLUIOV-CQSZACIVSA-N -1 3 385.379 3.056 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)s1 ZINC000672387101 566485940 /nfs/dbraw/zinc/48/59/40/566485940.db2.gz XZWIRJQYTUKQDG-UHFFFAOYSA-N -1 3 384.376 3.276 20 0 GGADHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000538011806 566486086 /nfs/dbraw/zinc/48/60/86/566486086.db2.gz DGMUFJGPQIFHMV-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM O=C(Nc1nc2cc(Br)ccc2[nH]1)c1c[n-]c2ccccc2c1=O ZINC000464556935 566486312 /nfs/dbraw/zinc/48/63/12/566486312.db2.gz MEPXANVMMLWWHN-UHFFFAOYSA-N -1 3 383.205 3.419 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)c(F)c1 ZINC000538017113 566487426 /nfs/dbraw/zinc/48/74/26/566487426.db2.gz WXAFIGKBYKCNSB-OAHLLOKOSA-N -1 3 379.787 3.423 20 0 GGADHM COCCOc1c(Cl)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1Cl ZINC000538013827 566487513 /nfs/dbraw/zinc/48/75/13/566487513.db2.gz JIWBBOQATNNKHV-GFCCVEGCSA-N -1 3 398.308 3.329 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)cs1 ZINC000672424238 566488826 /nfs/dbraw/zinc/48/88/26/566488826.db2.gz QCWFIZSFWYEJRT-UHFFFAOYSA-N -1 3 386.367 3.368 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)s1 ZINC000672415260 566488837 /nfs/dbraw/zinc/48/88/37/566488837.db2.gz BZGGYZJBLHHETA-VHSXEESVSA-N -1 3 387.914 3.033 20 0 GGADHM O=C(c1cc(=O)[n-]cn1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000627555629 566489036 /nfs/dbraw/zinc/48/90/36/566489036.db2.gz UWQVKUYBTHCOKA-CYBMUJFWSA-N -1 3 376.254 3.182 20 0 GGADHM CCc1cccc(C)c1N=c1[n-]nc(SC[C@@H](O)CN(C)C2CC2)s1 ZINC000558596282 566489725 /nfs/dbraw/zinc/48/97/25/566489725.db2.gz HDGHEDHSWIHAFD-HNNXBMFYSA-N -1 3 378.567 3.122 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2C)s1 ZINC000578090579 566489987 /nfs/dbraw/zinc/48/99/87/566489987.db2.gz QLEYTTPQDMJLNH-OAHLLOKOSA-N -1 3 381.523 3.476 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000672428581 566490349 /nfs/dbraw/zinc/49/03/49/566490349.db2.gz UFYLKMWVPKRETK-NSHDSACASA-N -1 3 378.252 3.187 20 0 GGADHM Cc1c(Cl)cccc1N=c1[n-]nc(SC[C@H](O)CN(C)C2CC2)s1 ZINC000578105274 566491040 /nfs/dbraw/zinc/49/10/40/566491040.db2.gz SAFZJAYSUXJTMA-GFCCVEGCSA-N -1 3 384.958 3.213 20 0 GGADHM O=C(N[C@@H]1COc2ccccc2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753724 566490969 /nfs/dbraw/zinc/49/09/69/566490969.db2.gz UBBGLTOUAHBTRO-ZDUSSCGKSA-N -1 3 399.244 3.024 20 0 GGADHM CN(CCC(F)(F)F)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753822 566491155 /nfs/dbraw/zinc/49/11/55/566491155.db2.gz BWRISUPLTKSYGA-UHFFFAOYSA-N -1 3 377.160 3.315 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC000578107725 566491362 /nfs/dbraw/zinc/49/13/62/566491362.db2.gz TXOZXVBYRGCMQW-AWEZNQCLSA-N -1 3 386.279 3.027 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000511832339 566491436 /nfs/dbraw/zinc/49/14/36/566491436.db2.gz PKOZIIZMMWQNIL-VXGBXAGGSA-N -1 3 378.947 3.012 20 0 GGADHM Cc1c(Cl)cccc1N=c1[n-]nc(SC[C@@H](O)CN(C)C2CC2)s1 ZINC000578105275 566491454 /nfs/dbraw/zinc/49/14/54/566491454.db2.gz SAFZJAYSUXJTMA-LBPRGKRZSA-N -1 3 384.958 3.213 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@@H](C)CC(=O)[O-] ZINC000485377099 566491813 /nfs/dbraw/zinc/49/18/13/566491813.db2.gz BKHFQAJQQNYTSH-ZETCQYMHSA-N -1 3 381.064 3.173 20 0 GGADHM Cc1ccc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)o1 ZINC000602753317 566492197 /nfs/dbraw/zinc/49/21/97/566492197.db2.gz HPLCNQXTAJVQQV-UHFFFAOYSA-N -1 3 375.222 3.165 20 0 GGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000448752984 566493543 /nfs/dbraw/zinc/49/35/43/566493543.db2.gz UGKOHCWCSJEJNL-SNVBAGLBSA-N -1 3 382.404 3.374 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000578146354 566494758 /nfs/dbraw/zinc/49/47/58/566494758.db2.gz MGUVFFFVFJIOJN-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485400117 566495441 /nfs/dbraw/zinc/49/54/41/566495441.db2.gz RHFRQHJKUHSAER-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM CN(CC(=O)Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCSC1 ZINC000578134337 566495735 /nfs/dbraw/zinc/49/57/35/566495735.db2.gz OFKKJJXSIHWCKG-VIFPVBQESA-N -1 3 379.707 3.184 20 0 GGADHM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1C ZINC000485397835 566496117 /nfs/dbraw/zinc/49/61/17/566496117.db2.gz YVYOTNLCNJJYNZ-UHFFFAOYSA-N -1 3 385.482 3.264 20 0 GGADHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485425964 566496816 /nfs/dbraw/zinc/49/68/16/566496816.db2.gz LPOWYDADCLOLBP-AWEZNQCLSA-N -1 3 388.272 3.056 20 0 GGADHM CC1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@@H]1c1cccs1 ZINC000578165746 566497088 /nfs/dbraw/zinc/49/70/88/566497088.db2.gz LUPDRPFSMPBUMC-OAHLLOKOSA-N -1 3 384.548 3.088 20 0 GGADHM COc1ncccc1CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000578178496 566498714 /nfs/dbraw/zinc/49/87/14/566498714.db2.gz WYOVUSGUXGSKLB-UHFFFAOYSA-N -1 3 382.894 3.479 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc2c1OCO2 ZINC000558686933 566498984 /nfs/dbraw/zinc/49/89/84/566498984.db2.gz WLFOQQCWDCGJMG-UHFFFAOYSA-N -1 3 383.809 3.031 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(C)(C)CO)c(Cl)c1Cl ZINC000578178257 566498938 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O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)cc1F ZINC000511998061 566504069 /nfs/dbraw/zinc/50/40/69/566504069.db2.gz XZYAGHNDQFKRHW-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)ccc1S(C)(=O)=O ZINC000424057520 566506046 /nfs/dbraw/zinc/50/60/46/566506046.db2.gz BLPQUYLERFKPNX-UHFFFAOYSA-N -1 3 387.910 3.036 20 0 GGADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000558778237 566506601 /nfs/dbraw/zinc/50/66/01/566506601.db2.gz VFNRIJBKVPJHQZ-GHMZBOCLSA-N -1 3 394.306 3.460 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1OC ZINC000558788700 566506801 /nfs/dbraw/zinc/50/68/01/566506801.db2.gz NYQDTDWUQYQWRP-UHFFFAOYSA-N -1 3 383.853 3.401 20 0 GGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000558779303 566507303 /nfs/dbraw/zinc/50/73/03/566507303.db2.gz KEDGHYXLWXHMLZ-ZDUSSCGKSA-N -1 3 392.830 3.339 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)CC)c(Br)c1 ZINC000512026367 566507388 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CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC000512086892 566512295 /nfs/dbraw/zinc/51/22/95/566512295.db2.gz COAWLTQLPLRYEZ-UHFFFAOYSA-N -1 3 383.401 3.198 20 0 GGADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1[nH][n-]cc1Br ZINC000578340275 566512961 /nfs/dbraw/zinc/51/29/61/566512961.db2.gz MPXWTQQVLYTZKD-LURJTMIESA-N -1 3 379.041 3.307 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)c1 ZINC000672889256 566513538 /nfs/dbraw/zinc/51/35/38/566513538.db2.gz AFGLPXNXRKPREX-UHFFFAOYSA-N -1 3 390.221 3.467 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000485614526 566514088 /nfs/dbraw/zinc/51/40/88/566514088.db2.gz NRCGLXAOFPXNAX-NSHDSACASA-N -1 3 379.254 3.291 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)c1 ZINC000672889296 566514211 /nfs/dbraw/zinc/51/42/11/566514211.db2.gz BCIHNIXFMVXBHH-UHFFFAOYSA-N -1 3 390.221 3.467 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccc(SC)cc1 ZINC000538452730 566514372 /nfs/dbraw/zinc/51/43/72/566514372.db2.gz DQNCYVCPMGOCRB-HNNXBMFYSA-N -1 3 383.491 3.201 20 0 GGADHM C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C[C@H]1C ZINC000464977979 566514685 /nfs/dbraw/zinc/51/46/85/566514685.db2.gz FNQPOOWVNGDVBS-OKILXGFUSA-N -1 3 384.567 3.477 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)c(F)cc2Cl)s1 ZINC000558937416 566514748 /nfs/dbraw/zinc/51/47/48/566514748.db2.gz AOOMHHGBPJNQSA-UHFFFAOYSA-N -1 3 397.280 3.032 20 0 GGADHM CC[C@H]1CCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465026288 566515811 /nfs/dbraw/zinc/51/58/11/566515811.db2.gz AHVGHUZJZPBMMD-FZMZJTMJSA-N -1 3 393.336 3.357 20 0 GGADHM CC[C@@H]1CCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465026287 566516034 /nfs/dbraw/zinc/51/60/34/566516034.db2.gz AHVGHUZJZPBMMD-BXUZGUMPSA-N -1 3 393.336 3.357 20 0 GGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000578391515 566517261 /nfs/dbraw/zinc/51/72/61/566517261.db2.gz JPENIQHXCHWTSW-ZDUSSCGKSA-N -1 3 375.918 3.468 20 0 GGADHM O=C(NCc1ccoc1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000512182162 566518345 /nfs/dbraw/zinc/51/83/45/566518345.db2.gz IORHYPIOCFXCSH-UHFFFAOYSA-N -1 3 382.507 3.272 20 0 GGADHM COc1cc(CNc2ccn(CCC(F)(F)F)n2)cc(Br)c1[O-] ZINC000424205377 566519679 /nfs/dbraw/zinc/51/96/79/566519679.db2.gz MTARQNIROABGFH-UHFFFAOYSA-N -1 3 394.191 3.346 20 0 GGADHM O=S(=O)([N-]CCC1CCOCC1)c1cc(Br)ccc1Cl ZINC000512204603 566519866 /nfs/dbraw/zinc/51/98/66/566519866.db2.gz VZAKSGJOHRVNEQ-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449014398 566520363 /nfs/dbraw/zinc/52/03/63/566520363.db2.gz ANFXIMYHMTXPFK-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449013871 566520549 /nfs/dbraw/zinc/52/05/49/566520549.db2.gz MVTOYVIFLOFUQH-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM C[C@@H]1CSCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000559052083 566523276 /nfs/dbraw/zinc/52/32/76/566523276.db2.gz JVDOZMXIJCKOAF-JTQLQIEISA-N -1 3 381.295 3.116 20 0 GGADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000424261523 566523799 /nfs/dbraw/zinc/52/37/99/566523799.db2.gz PIDMVFYSFLFKLT-AWEZNQCLSA-N -1 3 387.307 3.371 20 0 GGADHM CC(=O)NCCN(Cc1ccsc1)Cc1cc([O-])ccc1Br ZINC000559072456 566524268 /nfs/dbraw/zinc/52/42/68/566524268.db2.gz BUGRLQXUZSHTEP-UHFFFAOYSA-N -1 3 383.311 3.355 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000628032385 566524519 /nfs/dbraw/zinc/52/45/19/566524519.db2.gz YMZOEHXGZHUGAB-LBPRGKRZSA-N -1 3 375.734 3.487 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)CC1 ZINC000603417638 566524709 /nfs/dbraw/zinc/52/47/09/566524709.db2.gz NSQQULXITNNHON-UHFFFAOYSA-N -1 3 393.864 3.355 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000628032384 566524757 /nfs/dbraw/zinc/52/47/57/566524757.db2.gz YMZOEHXGZHUGAB-GFCCVEGCSA-N -1 3 375.734 3.487 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCC1 ZINC000559106980 566526097 /nfs/dbraw/zinc/52/60/97/566526097.db2.gz RCNVGBXIMVKOMQ-UHFFFAOYSA-N -1 3 382.309 3.487 20 0 GGADHM COC(=O)CCSc1cccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)c1 ZINC000603418977 566526095 /nfs/dbraw/zinc/52/60/95/566526095.db2.gz KDWPVOAOGJPPFB-JKSUJKDBSA-N -1 3 387.523 3.041 20 0 GGADHM Cc1cc(Cc2cnc(NC(=O)c3nc[n-]n3)s2)ccc1Br ZINC000512308934 566526262 /nfs/dbraw/zinc/52/62/62/566526262.db2.gz MFVZAFIZISEMMW-UHFFFAOYSA-N -1 3 378.255 3.175 20 0 GGADHM CC[C@@H]1C[C@H](C)CN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465299299 566526892 /nfs/dbraw/zinc/52/68/92/566526892.db2.gz UDOAEHXPTSINFM-NWDGAFQWSA-N -1 3 393.336 3.309 20 0 GGADHM CC[C@H]1C[C@H](C)CN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465299300 566527288 /nfs/dbraw/zinc/52/72/88/566527288.db2.gz UDOAEHXPTSINFM-RYUDHWBXSA-N -1 3 393.336 3.309 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449084421 566527358 /nfs/dbraw/zinc/52/73/58/566527358.db2.gz XUFIIDJTXDUKAM-CRAIPNDOSA-N -1 3 385.291 3.454 20 0 GGADHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000603491822 566528782 /nfs/dbraw/zinc/52/87/82/566528782.db2.gz QYNNBHRUUJJWNK-JTQLQIEISA-N -1 3 378.288 3.093 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)COc1c(Cl)cccc1Cl ZINC000512369849 566529416 /nfs/dbraw/zinc/52/94/16/566529416.db2.gz ZWKXRIWIYITHRV-UHFFFAOYSA-N -1 3 376.221 3.039 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000578514650 566529987 /nfs/dbraw/zinc/52/99/87/566529987.db2.gz RCHHTSIGIYTRKZ-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000603506892 566530317 /nfs/dbraw/zinc/53/03/17/566530317.db2.gz XPNWKAXJXAPYIR-UHFFFAOYSA-N -1 3 394.356 3.269 20 0 GGADHM CSCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000603499333 566530565 /nfs/dbraw/zinc/53/05/65/566530565.db2.gz YLOGDRPVQJVMAV-UHFFFAOYSA-N -1 3 384.910 3.234 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1(F)F ZINC000559157111 566531282 /nfs/dbraw/zinc/53/12/82/566531282.db2.gz HTWDWUUTVZSSEE-SECBINFHSA-N -1 3 385.208 3.408 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1(F)F ZINC000559157112 566531638 /nfs/dbraw/zinc/53/16/38/566531638.db2.gz HTWDWUUTVZSSEE-VIFPVBQESA-N -1 3 385.208 3.408 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1Cl ZINC000559158287 566531814 /nfs/dbraw/zinc/53/18/14/566531814.db2.gz VBDDJIWNZOABGY-UHFFFAOYSA-N -1 3 379.787 3.287 20 0 GGADHM CC[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)O1 ZINC000465431953 566531869 /nfs/dbraw/zinc/53/18/69/566531869.db2.gz VTJLMHXJUOCCRL-BXKDBHETSA-N -1 3 383.221 3.269 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578548698 566532666 /nfs/dbraw/zinc/53/26/66/566532666.db2.gz ZVEIMULXIGYGOV-UHFFFAOYSA-N -1 3 382.247 3.313 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cccs1 ZINC000628126836 566532977 /nfs/dbraw/zinc/53/29/77/566532977.db2.gz JNXPPTNQZONFAY-UHFFFAOYSA-N -1 3 375.519 3.172 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)on1 ZINC000485869171 566533664 /nfs/dbraw/zinc/53/36/64/566533664.db2.gz FFEHRELAOUNBED-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)Cc2ccccc2Br)C(C)(C)O1 ZINC000578565096 566533740 /nfs/dbraw/zinc/53/37/40/566533740.db2.gz CYJKJEYKEDAXNZ-CYBMUJFWSA-N -1 3 376.316 3.215 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)C(C)(C)C)cc1F ZINC000538748651 566534088 /nfs/dbraw/zinc/53/40/88/566534088.db2.gz XCIUZBQSOQHLBZ-GFCCVEGCSA-N -1 3 394.534 3.033 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c1 ZINC000485862861 566534180 /nfs/dbraw/zinc/53/41/80/566534180.db2.gz GAOIIBUYBXAAFJ-UHFFFAOYSA-N -1 3 377.846 3.196 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2(CC(C)C)CCC2)s1 ZINC000465495575 566534229 /nfs/dbraw/zinc/53/42/29/566534229.db2.gz SLORCLNYBYUEMJ-UHFFFAOYSA-N -1 3 375.512 3.038 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)N2CCCC2)C(C)C)c1Cl ZINC000603719101 566536734 /nfs/dbraw/zinc/53/67/34/566536734.db2.gz URBYSHYKCYHJQX-AWEZNQCLSA-N -1 3 393.336 3.227 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000651578671 566536713 /nfs/dbraw/zinc/53/67/13/566536713.db2.gz ZHRQPZWOVWZNKE-MVWJERBFSA-N -1 3 394.356 3.301 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc2c1OCCCO2)c1nc(C)cs1 ZINC000651577335 566536833 /nfs/dbraw/zinc/53/68/33/566536833.db2.gz IFLKTJWUNMAPTP-QGZVFWFLSA-N -1 3 382.507 3.217 20 0 GGADHM CCN1CCC(n2nccc2NC(=O)c2cccc(Br)c2[O-])CC1 ZINC000538789127 566537051 /nfs/dbraw/zinc/53/70/51/566537051.db2.gz FVYDGKKZVAMKHR-UHFFFAOYSA-N -1 3 393.285 3.260 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000651575742 566537401 /nfs/dbraw/zinc/53/74/01/566537401.db2.gz KNDUAFJYAQCOIQ-GFCCVEGCSA-N -1 3 390.324 3.221 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000485899247 566537440 /nfs/dbraw/zinc/53/74/40/566537440.db2.gz NALNOCOWTOUVEQ-LBPRGKRZSA-N -1 3 381.475 3.144 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1sc(C)nc1C ZINC000651578898 566537509 /nfs/dbraw/zinc/53/75/09/566537509.db2.gz HOMACVOBAXREMT-UHFFFAOYSA-N -1 3 381.342 3.371 20 0 GGADHM C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673504916 566538303 /nfs/dbraw/zinc/53/83/03/566538303.db2.gz UBXPCSNYKKXCOL-UWVGGRQHSA-N -1 3 382.247 3.487 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2sc(Br)cc2C)CCOCC1 ZINC000651586711 566538493 /nfs/dbraw/zinc/53/84/93/566538493.db2.gz JWMXRQJVRGVWCL-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1ccc(Cl)c(F)c1 ZINC000651584786 566538784 /nfs/dbraw/zinc/53/87/84/566538784.db2.gz ZMOMLQXLMZMOEZ-UHFFFAOYSA-N -1 3 388.795 3.475 20 0 GGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCc1ccc(Cl)s1 ZINC000673503350 566539073 /nfs/dbraw/zinc/53/90/73/566539073.db2.gz JFVPZTXILJGXBY-MNOVXSKESA-N -1 3 381.885 3.214 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508425 566539217 /nfs/dbraw/zinc/53/92/17/566539217.db2.gz SOGGXRMKXJOREH-NXEZZACHSA-N -1 3 382.247 3.487 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)Cc1ccncc1 ZINC000651592425 566539173 /nfs/dbraw/zinc/53/91/73/566539173.db2.gz ZNZWQCUDXHVUCU-JTQLQIEISA-N -1 3 375.313 3.124 20 0 GGADHM C[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccc(Cl)s1 ZINC000673502674 566539278 /nfs/dbraw/zinc/53/92/78/566539278.db2.gz FJLYBLHTYJPGNQ-VWYCJHECSA-N -1 3 381.885 3.385 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000673481911 566539462 /nfs/dbraw/zinc/53/94/62/566539462.db2.gz IYRULQSQQMWOOC-UHFFFAOYSA-N -1 3 379.912 3.386 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502673 566539500 /nfs/dbraw/zinc/53/95/00/566539500.db2.gz FJLYBLHTYJPGNQ-OUAUKWLOSA-N -1 3 381.885 3.385 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000651602617 566540624 /nfs/dbraw/zinc/54/06/24/566540624.db2.gz VZQUTXKYMQCAFU-MXWKQRLJSA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000651606629 566541094 /nfs/dbraw/zinc/54/10/94/566541094.db2.gz SOTOOIQPPWXORJ-JTQLQIEISA-N -1 3 380.329 3.199 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000651614334 566542112 /nfs/dbraw/zinc/54/21/12/566542112.db2.gz HBWXKVVCLNCLRY-WCQGTBRESA-N -1 3 392.340 3.055 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000673554545 566542322 /nfs/dbraw/zinc/54/23/22/566542322.db2.gz PGOMYXGYZBEBOD-VIFPVBQESA-N -1 3 388.898 3.408 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000651614332 566542580 /nfs/dbraw/zinc/54/25/80/566542580.db2.gz HBWXKVVCLNCLRY-JLLWLGSASA-N -1 3 392.340 3.055 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000651620805 566543486 /nfs/dbraw/zinc/54/34/86/566543486.db2.gz UAZSFTREDOGSSF-QMMMGPOBSA-N -1 3 393.332 3.100 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1Cl)c1ccc(F)c(F)c1 ZINC000673572236 566543477 /nfs/dbraw/zinc/54/34/77/566543477.db2.gz RFICIVVMTNRFSK-OAHLLOKOSA-N -1 3 391.823 3.293 20 0 GGADHM Cc1ncc(CNCc2cc(Br)cc(Br)c2)c(=O)[n-]1 ZINC000578671576 566543765 /nfs/dbraw/zinc/54/37/65/566543765.db2.gz JTENBGGXVZPXDW-UHFFFAOYSA-N -1 3 387.075 3.305 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C(C(C)C)C(C)C ZINC000673570698 566543927 /nfs/dbraw/zinc/54/39/27/566543927.db2.gz NSBGCRAYXHBVPA-UHFFFAOYSA-N -1 3 376.906 3.266 20 0 GGADHM Cc1cc(Br)oc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000512579481 566543902 /nfs/dbraw/zinc/54/39/02/566543902.db2.gz XDUFNKHXHOVVAE-UHFFFAOYSA-N -1 3 379.189 3.451 20 0 GGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000485959733 566544561 /nfs/dbraw/zinc/54/45/61/566544561.db2.gz FSCDRPITJJKCRG-UHFFFAOYSA-N -1 3 394.331 3.331 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1COc2ccccc21 ZINC000673595099 566544847 /nfs/dbraw/zinc/54/48/47/566544847.db2.gz PTWZATYFOGCCQS-GFCCVEGCSA-N -1 3 377.238 3.130 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000651627430 566545619 /nfs/dbraw/zinc/54/56/19/566545619.db2.gz YMEWCUQOIGQQON-WDEREUQCSA-N -1 3 382.345 3.301 20 0 GGADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 ZINC000538898533 566546105 /nfs/dbraw/zinc/54/61/05/566546105.db2.gz QBZMEYUXWGAJNZ-HDJSIYSDSA-N -1 3 386.583 3.310 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@]1(C)CCO[C@H]1C1CC1 ZINC000651640319 566546350 /nfs/dbraw/zinc/54/63/50/566546350.db2.gz IZLWVQIWVMZMHO-AAEUAGOBSA-N -1 3 380.329 3.055 20 0 GGADHM CCc1cc(C(=O)N[C@@H](C(=O)OC)c2ccc(Br)cc2)ccc1[O-] ZINC000486002266 566547397 /nfs/dbraw/zinc/54/73/97/566547397.db2.gz JTQUAIKIYIFZMY-MRXNPFEDSA-N -1 3 392.249 3.361 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)s1 ZINC000603947555 566547548 /nfs/dbraw/zinc/54/75/48/566547548.db2.gz QWXPEXSJXIFXQW-LLVKDONJSA-N -1 3 378.475 3.170 20 0 GGADHM CCC[C@H](C)S(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000651646981 566548040 /nfs/dbraw/zinc/54/80/40/566548040.db2.gz YTUMPIYHPLZISH-GXFFZTMASA-N -1 3 376.404 3.021 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)c(F)c1 ZINC000651660545 566548285 /nfs/dbraw/zinc/54/82/85/566548285.db2.gz UUOTVXXINGNRNH-ZANVPECISA-N -1 3 389.798 3.241 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651666811 566549574 /nfs/dbraw/zinc/54/95/74/566549574.db2.gz OVKICFJDTJXMGX-UHFFFAOYSA-N -1 3 382.345 3.303 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C(C)C ZINC000486024695 566550149 /nfs/dbraw/zinc/55/01/49/566550149.db2.gz HZZFUFDGCUGZOV-ZDUSSCGKSA-N -1 3 384.723 3.193 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)s1 ZINC000604032670 566550311 /nfs/dbraw/zinc/55/03/11/566550311.db2.gz YDSNTYAEFHPRAW-UHFFFAOYSA-N -1 3 375.471 3.209 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1Cl ZINC000604059743 566551906 /nfs/dbraw/zinc/55/19/06/566551906.db2.gz GMPOQUPYFAXFDQ-RYUDHWBXSA-N -1 3 393.336 3.227 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2sc(Br)cc2C)c1 ZINC000651685807 566552259 /nfs/dbraw/zinc/55/22/59/566552259.db2.gz FKHKPOHEFGOVGV-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN1Cc1ccccc1)c1cc(F)ccc1Cl ZINC000604058789 566552617 /nfs/dbraw/zinc/55/26/17/566552617.db2.gz RIXIYAJLKHPZCU-MRXNPFEDSA-N -1 3 382.888 3.422 20 0 GGADHM CS(=O)(=O)Nc1cccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c1 ZINC000486061091 566552892 /nfs/dbraw/zinc/55/28/92/566552892.db2.gz IZCWPLBTIXRDBI-UHFFFAOYSA-N -1 3 379.825 3.058 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000512730922 566553625 /nfs/dbraw/zinc/55/36/25/566553625.db2.gz WYVVMAVKCONQMN-MRXNPFEDSA-N -1 3 393.256 3.009 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(OC(C)(C)C)n1 ZINC000486081469 566554895 /nfs/dbraw/zinc/55/48/95/566554895.db2.gz MUHLFFBGIPKVAL-UHFFFAOYSA-N -1 3 384.885 3.399 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651717609 566555326 /nfs/dbraw/zinc/55/53/26/566555326.db2.gz LUIBESKHJHGJRE-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1scnc1C ZINC000651726387 566556944 /nfs/dbraw/zinc/55/69/44/566556944.db2.gz KZLVYLNTJRHKPS-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(CN(C)C)c(F)c1 ZINC000486093522 566557688 /nfs/dbraw/zinc/55/76/88/566557688.db2.gz LAXLTRFUOPLGID-UHFFFAOYSA-N -1 3 386.876 3.028 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1COCc2ccccc21 ZINC000651743438 566558328 /nfs/dbraw/zinc/55/83/28/566558328.db2.gz VAHXPKUEZMOFOZ-GFCCVEGCSA-N -1 3 388.308 3.369 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CCC[C@H](F)C1 ZINC000424691993 566558454 /nfs/dbraw/zinc/55/84/54/566558454.db2.gz RMNLAPBZYZLRLG-ZJUUUORDSA-N -1 3 392.855 3.387 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Br)c[nH]1 ZINC000673820895 566558587 /nfs/dbraw/zinc/55/85/87/566558587.db2.gz LKTLDTVPLFKQFR-CYBMUJFWSA-N -1 3 384.299 3.261 20 0 GGADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673821768 566558774 /nfs/dbraw/zinc/55/87/74/566558774.db2.gz SXKPCMPBGJTUPS-CYBMUJFWSA-N -1 3 383.539 3.248 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CCC[C@@H](F)C1 ZINC000424691990 566558876 /nfs/dbraw/zinc/55/88/76/566558876.db2.gz RMNLAPBZYZLRLG-NXEZZACHSA-N -1 3 392.855 3.387 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)Cc2cccc(Br)c2)c[nH]1 ZINC000673821021 566558938 /nfs/dbraw/zinc/55/89/38/566558938.db2.gz WZQLCABSJGBHKX-LLVKDONJSA-N -1 3 386.315 3.205 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000673824691 566558956 /nfs/dbraw/zinc/55/89/56/566558956.db2.gz KMOVJJDLNOIWOQ-MRVPVSSYSA-N -1 3 382.433 3.438 20 0 GGADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673821769 566559147 /nfs/dbraw/zinc/55/91/47/566559147.db2.gz SXKPCMPBGJTUPS-ZDUSSCGKSA-N -1 3 383.539 3.248 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)c1 ZINC000673821877 566559262 /nfs/dbraw/zinc/55/92/62/566559262.db2.gz CWASLAIQTXPVPI-VIFPVBQESA-N -1 3 389.271 3.102 20 0 GGADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)nc12 ZINC000673825561 566560242 /nfs/dbraw/zinc/56/02/42/566560242.db2.gz ZFEJMJQBGXVDRE-UHFFFAOYSA-N -1 3 384.288 3.471 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000628479698 566560630 /nfs/dbraw/zinc/56/06/30/566560630.db2.gz XQXSIXBBFAJUGB-MRXNPFEDSA-N -1 3 393.306 3.485 20 0 GGADHM COc1ccc(Br)cc1C1(c2nc(-c3cc(=O)[n-]cn3)no2)CC1 ZINC000578865853 566560654 /nfs/dbraw/zinc/56/06/54/566560654.db2.gz BZPIOYACYOGFKN-UHFFFAOYSA-N -1 3 389.209 3.083 20 0 GGADHM COc1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)c(Br)c1[O-] ZINC000449415184 566561030 /nfs/dbraw/zinc/56/10/30/566561030.db2.gz ZPDIFELCRUUZTC-GFCCVEGCSA-N -1 3 399.329 3.277 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)N(C)C ZINC000486124040 566561073 /nfs/dbraw/zinc/56/10/73/566561073.db2.gz NXTAEXZFYIWZGA-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000539116291 566561514 /nfs/dbraw/zinc/56/15/14/566561514.db2.gz VGDGFCMWQSPHOT-TZMCWYRMSA-N -1 3 376.862 3.053 20 0 GGADHM Brc1ccccc1SCCCCN=c1ncnc2[nH][n-]cc1-2 ZINC000604380068 566562729 /nfs/dbraw/zinc/56/27/29/566562729.db2.gz QYWULMGVEOQBBC-UHFFFAOYSA-N -1 3 378.299 3.473 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H]1Cc1ccccc1Br ZINC000578882459 566562947 /nfs/dbraw/zinc/56/29/47/566562947.db2.gz JBEMDGVWAWKKFD-OAHLLOKOSA-N -1 3 375.266 3.326 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc3c(cccc3Cl)s2)o1 ZINC000486150371 566563286 /nfs/dbraw/zinc/56/32/86/566563286.db2.gz NDYVZSAKHCAAKJ-UHFFFAOYSA-N -1 3 385.854 3.045 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)[C@@H]([N-]S(C)(=O)=O)[C@H](C)CC)cc1Cl ZINC000466294370 566563455 /nfs/dbraw/zinc/56/34/55/566563455.db2.gz YELLOHFDXLPNHU-RNCFNFMXSA-N -1 3 397.324 3.295 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc2c(c1)nc(C)n2C1CC1 ZINC000559634926 566563862 /nfs/dbraw/zinc/56/38/62/566563862.db2.gz CLVMWPGYKYCRGT-UHFFFAOYSA-N -1 3 377.491 3.228 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000578902374 566564116 /nfs/dbraw/zinc/56/41/16/566564116.db2.gz FTRJNPVERJZXIN-QHCPKHFHSA-N -1 3 397.827 3.437 20 0 GGADHM COCCNC(=O)c1cccc(NCc2cc([O-])ccc2Br)c1 ZINC000512869093 566564450 /nfs/dbraw/zinc/56/44/50/566564450.db2.gz NGAZNWBAAOOAEM-UHFFFAOYSA-N -1 3 379.254 3.143 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)c1Cl ZINC000604407926 566564635 /nfs/dbraw/zinc/56/46/35/566564635.db2.gz NUDFOCZPFKESTA-GFCCVEGCSA-N -1 3 382.309 3.084 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(Sc2nncs2)cc1 ZINC000578924502 566565177 /nfs/dbraw/zinc/56/51/77/566565177.db2.gz NRMBTKNWAKYIBQ-UHFFFAOYSA-N -1 3 399.441 3.010 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H]([C@H]2CCCO2)C2(CO)CCC2)s1 ZINC000578925420 566565191 /nfs/dbraw/zinc/56/51/91/566565191.db2.gz XMVYYWPZVDQDGF-CZUORRHYSA-N -1 3 387.567 3.034 20 0 GGADHM CC[C@H]1CC[C@H](C)N1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000578926855 566565432 /nfs/dbraw/zinc/56/54/32/566565432.db2.gz KVAZUDQTVKPYBA-QWRGUYRKSA-N -1 3 379.309 3.061 20 0 GGADHM COC[C@H](C)CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000578920192 566565772 /nfs/dbraw/zinc/56/57/72/566565772.db2.gz ZYOFUDSVCKGLET-LBPRGKRZSA-N -1 3 380.491 3.258 20 0 GGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000604448767 566566119 /nfs/dbraw/zinc/56/61/19/566566119.db2.gz SLAWDNZXKGZNMO-CQSZACIVSA-N -1 3 385.844 3.452 20 0 GGADHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cncc(F)c1 ZINC000512892041 566567608 /nfs/dbraw/zinc/56/76/08/566567608.db2.gz UDGFMISYBWOZIX-SNVBAGLBSA-N -1 3 392.283 3.157 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)COc1ccc(F)cc1F ZINC000486246399 566571797 /nfs/dbraw/zinc/57/17/97/566571797.db2.gz VNIRBSMEQVOOCB-JTQLQIEISA-N -1 3 391.823 3.373 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000486268370 566572970 /nfs/dbraw/zinc/57/29/70/566572970.db2.gz HYSHMSOOSPRXJM-WBMJQRKESA-N -1 3 375.918 3.468 20 0 GGADHM COc1cc(CNc2cnn([C@H]3CCOC3)c2C)cc(Br)c1[O-] ZINC000449538382 566573058 /nfs/dbraw/zinc/57/30/58/566573058.db2.gz UDYRFSQVMLDXAP-LBPRGKRZSA-N -1 3 382.258 3.242 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1 ZINC000486266768 566573307 /nfs/dbraw/zinc/57/33/07/566573307.db2.gz NDIORCWCUAGRAO-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccco1 ZINC000486260113 566573418 /nfs/dbraw/zinc/57/34/18/566573418.db2.gz RBWOQFVBAHUCOW-AWEZNQCLSA-N -1 3 386.901 3.303 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000486266548 566573460 /nfs/dbraw/zinc/57/34/60/566573460.db2.gz BYPPPRVEPRIYQN-NSHDSACASA-N -1 3 382.869 3.347 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)cc1Cl ZINC000579033395 566573965 /nfs/dbraw/zinc/57/39/65/566573965.db2.gz JXGGMUQSMOZXJL-SNVBAGLBSA-N -1 3 388.272 3.457 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c(Cl)c1Cl ZINC000539386018 566578325 /nfs/dbraw/zinc/57/83/25/566578325.db2.gz WICQOVFWYDASOD-NSHDSACASA-N -1 3 396.336 3.469 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)s1 ZINC000539384084 566578363 /nfs/dbraw/zinc/57/83/63/566578363.db2.gz DDTPXPDCAIUDIV-JTQLQIEISA-N -1 3 396.372 3.286 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)c(Cl)c1Cl ZINC000539386017 566578502 /nfs/dbraw/zinc/57/85/02/566578502.db2.gz WICQOVFWYDASOD-LLVKDONJSA-N -1 3 396.336 3.469 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)s1 ZINC000539384086 566578863 /nfs/dbraw/zinc/57/88/63/566578863.db2.gz DDTPXPDCAIUDIV-SNVBAGLBSA-N -1 3 396.372 3.286 20 0 GGADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1 ZINC000539399969 566578932 /nfs/dbraw/zinc/57/89/32/566578932.db2.gz NWOXWRSWPHDQIU-UHFFFAOYSA-N -1 3 381.475 3.070 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(OC)c1 ZINC000513099254 566578989 /nfs/dbraw/zinc/57/89/89/566578989.db2.gz SGLLGEIOSFWOMB-NSHDSACASA-N -1 3 383.853 3.175 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000513110716 566579314 /nfs/dbraw/zinc/57/93/14/566579314.db2.gz SHZXYVHLUDUPPU-SNVBAGLBSA-N -1 3 387.910 3.406 20 0 GGADHM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)cc1C ZINC000559962251 566580038 /nfs/dbraw/zinc/58/00/38/566580038.db2.gz IEIQJOAHZKTRKP-UHFFFAOYSA-N -1 3 382.507 3.096 20 0 GGADHM Cc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1Br ZINC000513127450 566580878 /nfs/dbraw/zinc/58/08/78/566580878.db2.gz IJSDQBQREJYMBZ-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513126486 566581206 /nfs/dbraw/zinc/58/12/06/566581206.db2.gz UARVIMAKIVVPGO-ZIAGYGMSSA-N -1 3 391.942 3.469 20 0 GGADHM O=C([O-])C1(NCc2csc(-c3cccc(Br)c3)n2)CCOCC1 ZINC000559981352 566581397 /nfs/dbraw/zinc/58/13/97/566581397.db2.gz KQFKQOBSWMPQDP-UHFFFAOYSA-N -1 3 397.294 3.296 20 0 GGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466523194 566581699 /nfs/dbraw/zinc/58/16/99/566581699.db2.gz UUHDMHYRCQJLPX-CQSZACIVSA-N -1 3 375.343 3.398 20 0 GGADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@H]1COc2ccc(F)cc21 ZINC000466519137 566581772 /nfs/dbraw/zinc/58/17/72/566581772.db2.gz PBPPNIAMGMUJEY-AWEZNQCLSA-N -1 3 375.343 3.398 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513126483 566581721 /nfs/dbraw/zinc/58/17/21/566581721.db2.gz UARVIMAKIVVPGO-KBPBESRZSA-N -1 3 391.942 3.469 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1csc(-c2ccccc2)n1 ZINC000466540691 566582597 /nfs/dbraw/zinc/58/25/97/566582597.db2.gz GTJAXUHDNSWKLK-AWEZNQCLSA-N -1 3 376.434 3.361 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)sc1Br ZINC000466529409 566582963 /nfs/dbraw/zinc/58/29/63/566582963.db2.gz RHOCPUBMITVHCM-SNVBAGLBSA-N -1 3 392.271 3.370 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(Br)s1 ZINC000466534515 566583550 /nfs/dbraw/zinc/58/35/50/566583550.db2.gz QKUFHDCYGJYPET-SECBINFHSA-N -1 3 378.244 3.062 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1F ZINC000560014034 566584620 /nfs/dbraw/zinc/58/46/20/566584620.db2.gz WMPYQOVRPWWPRA-UHFFFAOYSA-N -1 3 382.888 3.422 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)CCS2 ZINC000560008945 566584647 /nfs/dbraw/zinc/58/46/47/566584647.db2.gz HVRRKLPCDAMRDM-UHFFFAOYSA-N -1 3 380.482 3.031 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCO[C@H]1C1CC1 ZINC000466572914 566585863 /nfs/dbraw/zinc/58/58/63/566585863.db2.gz JNFXHRKLVFLKEH-GJZGRUSLSA-N -1 3 392.290 3.072 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)OCCc2sccc21 ZINC000579177588 566586364 /nfs/dbraw/zinc/58/63/64/566586364.db2.gz FEINHIOYUIHBLQ-OAHLLOKOSA-N -1 3 375.874 3.307 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C2CC2)cc1Cl ZINC000674339405 566586403 /nfs/dbraw/zinc/58/64/03/566586403.db2.gz AVRXMJSOSDPZAF-MRVPVSSYSA-N -1 3 382.707 3.436 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)C2CC2)cc1Cl ZINC000674339410 566586808 /nfs/dbraw/zinc/58/68/08/566586808.db2.gz AVRXMJSOSDPZAF-QMMMGPOBSA-N -1 3 382.707 3.436 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000513171421 566587054 /nfs/dbraw/zinc/58/70/54/566587054.db2.gz QBUHXUQKMCKHKF-BBRMVZONSA-N -1 3 379.865 3.036 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)OCCc2sccc21 ZINC000579177587 566587033 /nfs/dbraw/zinc/58/70/33/566587033.db2.gz FEINHIOYUIHBLQ-HNNXBMFYSA-N -1 3 375.874 3.307 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(Br)cc2C)s1 ZINC000674344162 566587262 /nfs/dbraw/zinc/58/72/62/566587262.db2.gz WXVWIADMGDAZQW-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM O=S(=O)([N-][C@H](c1cncc(Br)c1)C1CC1)c1ccccc1F ZINC000560020004 566587228 /nfs/dbraw/zinc/58/72/28/566587228.db2.gz WXGREPOTFLVQLG-HNNXBMFYSA-N -1 3 385.258 3.413 20 0 GGADHM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000466583804 566587435 /nfs/dbraw/zinc/58/74/35/566587435.db2.gz IUKXZAFEZNPKSE-UHFFFAOYSA-N -1 3 381.251 3.377 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@H]1C ZINC000513169251 566587486 /nfs/dbraw/zinc/58/74/86/566587486.db2.gz BWFVGDTUIZPULR-DOMZBBRYSA-N -1 3 389.901 3.000 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](C)c2cc(C)sc2C)ccc1F ZINC000486419044 566587597 /nfs/dbraw/zinc/58/75/97/566587597.db2.gz MLGIRYPBZZRPAJ-SNVBAGLBSA-N -1 3 385.486 3.295 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000513174889 566587661 /nfs/dbraw/zinc/58/76/61/566587661.db2.gz AFGJPERQBPTDAP-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO[C@@H]1C1CC1 ZINC000466587313 566587874 /nfs/dbraw/zinc/58/78/74/566587874.db2.gz SAUXNIYDZLKGOX-CABCVRRESA-N -1 3 392.290 3.072 20 0 GGADHM [O-]c1ccc(F)c(CNC[C@@H](CO)Cc2ccc(Br)cc2)c1F ZINC000513242146 566590205 /nfs/dbraw/zinc/59/02/05/566590205.db2.gz PABNAJJMGFHAPT-LBPRGKRZSA-N -1 3 386.236 3.374 20 0 GGADHM O=S(=O)([N-]CC1Cc2ccccc2C1)c1cc(Br)ccc1F ZINC000605005336 566590579 /nfs/dbraw/zinc/59/05/79/566590579.db2.gz OJVNILHSTNHZLY-UHFFFAOYSA-N -1 3 384.270 3.282 20 0 GGADHM Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560041190 566590738 /nfs/dbraw/zinc/59/07/38/566590738.db2.gz FJPIFZHEHHTRCZ-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM [O-]c1ccc(F)c(CNC[C@@H](CO)Cc2cccc(Br)c2)c1F ZINC000513241268 566591242 /nfs/dbraw/zinc/59/12/42/566591242.db2.gz HQQRPXPBOUTAQI-LBPRGKRZSA-N -1 3 386.236 3.374 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)NCc2ccc(Cl)c(C)c2)ccc1F ZINC000486477745 566591584 /nfs/dbraw/zinc/59/15/84/566591584.db2.gz OXXPKTADWYPBJB-UHFFFAOYSA-N -1 3 385.848 3.017 20 0 GGADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000539638849 566593706 /nfs/dbraw/zinc/59/37/06/566593706.db2.gz PTZBRUDNUXTAIQ-QWRGUYRKSA-N -1 3 382.345 3.383 20 0 GGADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000539639318 566594002 /nfs/dbraw/zinc/59/40/02/566594002.db2.gz VJYWNINDGPWPQN-OLZOCXBDSA-N -1 3 394.306 3.460 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)Nc2cc(SC)ccc2C)ccc1F ZINC000486531160 566596434 /nfs/dbraw/zinc/59/64/34/566596434.db2.gz DYSCVNDTUXROGC-UHFFFAOYSA-N -1 3 383.470 3.408 20 0 GGADHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000466745397 566596577 /nfs/dbraw/zinc/59/65/77/566596577.db2.gz ZZUOEOJOUQXMQI-CQSZACIVSA-N -1 3 388.316 3.325 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO[C@H]1C1CC1 ZINC000466777133 566597369 /nfs/dbraw/zinc/59/73/69/566597369.db2.gz MXEQYUCNXAUAER-LSDHHAIUSA-N -1 3 381.391 3.328 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2C)c1Cl ZINC000466755033 566597725 /nfs/dbraw/zinc/59/77/25/566597725.db2.gz QEHUXLJOBKZZDG-CQSZACIVSA-N -1 3 388.316 3.492 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO[C@H]1C1CC1 ZINC000466777131 566597943 /nfs/dbraw/zinc/59/79/43/566597943.db2.gz MXEQYUCNXAUAER-GJZGRUSLSA-N -1 3 381.391 3.328 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)s1 ZINC000605164271 566598303 /nfs/dbraw/zinc/59/83/03/566598303.db2.gz UKICAXKNNHSMNC-GWCFXTLKSA-N -1 3 382.532 3.071 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1F ZINC000486569532 566599188 /nfs/dbraw/zinc/59/91/88/566599188.db2.gz XPINNLPZIJOQAL-SNVBAGLBSA-N -1 3 385.848 3.270 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c1 ZINC000579331456 566599818 /nfs/dbraw/zinc/59/98/18/566599818.db2.gz FZJDDRHPEKVGLW-OAHLLOKOSA-N -1 3 398.278 3.008 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000579355923 566602653 /nfs/dbraw/zinc/60/26/53/566602653.db2.gz CAUGRNSOIIOPEA-ZDUSSCGKSA-N -1 3 392.253 3.326 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000579355923 566602656 /nfs/dbraw/zinc/60/26/56/566602656.db2.gz CAUGRNSOIIOPEA-ZDUSSCGKSA-N -1 3 392.253 3.326 20 0 GGADHM CCc1cc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)on1 ZINC000539802527 566602841 /nfs/dbraw/zinc/60/28/41/566602841.db2.gz NOKJCHSXISKVFY-UHFFFAOYSA-N -1 3 393.690 3.273 20 0 GGADHM CN(C)CCOc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000605331762 566603812 /nfs/dbraw/zinc/60/38/12/566603812.db2.gz BECLRKVOCQZEJT-UHFFFAOYSA-N -1 3 379.254 3.347 20 0 GGADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1(C)C ZINC000466882972 566604164 /nfs/dbraw/zinc/60/41/64/566604164.db2.gz OHJYAAUBXNEBSY-JSGCOSHPSA-N -1 3 380.279 3.070 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@](C)(OC)C2(C)C)cc1Cl ZINC000466883209 566604632 /nfs/dbraw/zinc/60/46/32/566604632.db2.gz OMPITJXMNRGQTI-HIFRSBDPSA-N -1 3 382.309 3.484 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)CO[C@@H]2CCOC2)c1Cl ZINC000674711117 566604992 /nfs/dbraw/zinc/60/49/92/566604992.db2.gz OULJBLXEKHXBAL-CMPLNLGQSA-N -1 3 382.309 3.083 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000486623007 566605359 /nfs/dbraw/zinc/60/53/59/566605359.db2.gz BNABBCISRNVSMS-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CC1(C)C[C@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000425127129 566606793 /nfs/dbraw/zinc/60/67/93/566606793.db2.gz YPPOYBHXCWBVIB-OAHLLOKOSA-N -1 3 378.519 3.026 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)on1 ZINC000486642837 566606790 /nfs/dbraw/zinc/60/67/90/566606790.db2.gz AYKLFIQUGDFEBG-ZDUSSCGKSA-N -1 3 380.242 3.498 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2cccc(Br)c2[O-])CC1 ZINC000539844963 566606772 /nfs/dbraw/zinc/60/67/72/566606772.db2.gz XMKICMZIZQZJIZ-UHFFFAOYSA-N -1 3 393.281 3.484 20 0 GGADHM CC1(C)C[C@@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000425127125 566606908 /nfs/dbraw/zinc/60/69/08/566606908.db2.gz YPPOYBHXCWBVIB-HNNXBMFYSA-N -1 3 378.519 3.026 20 0 GGADHM O=C(c1cc2occc2s1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000605454813 566606962 /nfs/dbraw/zinc/60/69/62/566606962.db2.gz ZSDQNYDPGYEZHM-UHFFFAOYSA-N -1 3 396.515 3.139 20 0 GGADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425139671 566607046 /nfs/dbraw/zinc/60/70/46/566607046.db2.gz CNRYRSIAPQUGAO-UHFFFAOYSA-N -1 3 380.897 3.057 20 0 GGADHM CCN(CCC[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000605436869 566607156 /nfs/dbraw/zinc/60/71/56/566607156.db2.gz GHXHJKBEJBIFEN-UHFFFAOYSA-N -1 3 398.326 3.039 20 0 GGADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1ccc(Br)cn1 ZINC000605438604 566607519 /nfs/dbraw/zinc/60/75/19/566607519.db2.gz XCLBEOOUGKEWAA-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC[C@H]1c1ccccc1 ZINC000486645328 566608151 /nfs/dbraw/zinc/60/81/51/566608151.db2.gz LMFOLBDAGNBGCZ-INIZCTEOSA-N -1 3 391.265 3.438 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486644961 566608324 /nfs/dbraw/zinc/60/83/24/566608324.db2.gz JQHLIVAYHBCXEB-HUUCEWRRSA-N -1 3 385.302 3.500 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H]2CC)cc1 ZINC000466922954 566608831 /nfs/dbraw/zinc/60/88/31/566608831.db2.gz GSUVWFHTRJWSJI-GOEBONIOSA-N -1 3 388.555 3.038 20 0 GGADHM [O-]c1ccc(Br)c(CN2CCn3c(nnc3C3CCCC3)C2)c1 ZINC000539862323 566608975 /nfs/dbraw/zinc/60/89/75/566608975.db2.gz FODHLEAXJACHDW-UHFFFAOYSA-N -1 3 377.286 3.420 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H]2CC)cc1 ZINC000466922953 566609148 /nfs/dbraw/zinc/60/91/48/566609148.db2.gz GSUVWFHTRJWSJI-GDBMZVCRSA-N -1 3 388.555 3.038 20 0 GGADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000466928302 566609155 /nfs/dbraw/zinc/60/91/55/566609155.db2.gz BJLCIZOVRLHIEP-UHFFFAOYSA-N -1 3 385.379 3.245 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCC(=O)OC(C)(C)C)c(Cl)c1Cl ZINC000486657551 566609320 /nfs/dbraw/zinc/60/93/20/566609320.db2.gz MMHUFHNOGKTRAQ-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)Cc1ncccc1C(=O)[O-] ZINC000652427158 566610042 /nfs/dbraw/zinc/61/00/42/566610042.db2.gz CGDWVENMLVMXKV-UHFFFAOYSA-N -1 3 379.254 3.443 20 0 GGADHM COc1ccc([O-])c(C(=O)NC(C)(C)COc2ncccc2Br)c1 ZINC000539864529 566610358 /nfs/dbraw/zinc/61/03/58/566610358.db2.gz LAQSCWNLYHHYKX-UHFFFAOYSA-N -1 3 395.253 3.146 20 0 GGADHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000425186465 566612715 /nfs/dbraw/zinc/61/27/15/566612715.db2.gz AKRHSGZTPDRGSQ-LLVKDONJSA-N -1 3 382.507 3.267 20 0 GGADHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000425186466 566612799 /nfs/dbraw/zinc/61/27/99/566612799.db2.gz AKRHSGZTPDRGSQ-NSHDSACASA-N -1 3 382.507 3.267 20 0 GGADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000605588631 566613494 /nfs/dbraw/zinc/61/34/94/566613494.db2.gz MRRAKRHAKVHCDD-CYBMUJFWSA-N -1 3 394.331 3.331 20 0 GGADHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-]CC(=O)c1c(F)cccc1Cl ZINC000425193641 566613978 /nfs/dbraw/zinc/61/39/78/566613978.db2.gz LLDRCDIDSUGLDR-GFCCVEGCSA-N -1 3 391.892 3.177 20 0 GGADHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000486709439 566615298 /nfs/dbraw/zinc/61/52/98/566615298.db2.gz OAMUAYKZXWQKQI-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000425204914 566616249 /nfs/dbraw/zinc/61/62/49/566616249.db2.gz OSAONQMCEBNSOU-UHFFFAOYSA-N -1 3 384.832 3.477 20 0 GGADHM C[C@](O)(C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CCC1 ZINC000486715173 566616451 /nfs/dbraw/zinc/61/64/51/566616451.db2.gz FVAHGULMMDMIQY-MRXNPFEDSA-N -1 3 398.688 3.404 20 0 GGADHM COc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(OC)n1 ZINC000605654301 566617501 /nfs/dbraw/zinc/61/75/01/566617501.db2.gz FWNACDSHDZYWMJ-UHFFFAOYSA-N -1 3 377.249 3.348 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H]1CCO[C@@H]1c1cccnc1 ZINC000560326619 566617537 /nfs/dbraw/zinc/61/75/37/566617537.db2.gz CWYKLCKLYOELGG-JKSUJKDBSA-N -1 3 387.288 3.338 20 0 GGADHM C[C@@H]1OCC[C@@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000539974950 566618237 /nfs/dbraw/zinc/61/82/37/566618237.db2.gz XIFKYGMCBVEIAO-WPRPVWTQSA-N -1 3 384.661 3.278 20 0 GGADHM C[C@@H]1CN(C)C[C@@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000486738216 566618309 /nfs/dbraw/zinc/61/83/09/566618309.db2.gz QNITUBVUCQCUFS-SKDRFNHKSA-N -1 3 397.704 3.051 20 0 GGADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1cncc(Br)c1 ZINC000605800359 566619209 /nfs/dbraw/zinc/61/92/09/566619209.db2.gz UGMPXHZQZXFTLS-MRXNPFEDSA-N -1 3 381.295 3.144 20 0 GGADHM CC1(C)CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000513730190 566619904 /nfs/dbraw/zinc/61/99/04/566619904.db2.gz IZXQKIZRRMXKOT-LLVKDONJSA-N -1 3 378.416 3.292 20 0 GGADHM Cc1cccc(Br)c1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000486761223 566620941 /nfs/dbraw/zinc/62/09/41/566620941.db2.gz LUGCSHKJKYSNPP-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM COCc1nn(C)cc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000449975873 566620970 /nfs/dbraw/zinc/62/09/70/566620970.db2.gz YXLFFCXYYCTWPA-UHFFFAOYSA-N -1 3 375.479 3.130 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000675016877 566621050 /nfs/dbraw/zinc/62/10/50/566621050.db2.gz SJNXJPYZPYFILI-NSHDSACASA-N -1 3 380.329 3.022 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c[nH]nc1-c1ccsc1 ZINC000513737440 566621155 /nfs/dbraw/zinc/62/11/55/566621155.db2.gz CGFKVXYBHASUFZ-UHFFFAOYSA-N -1 3 388.250 3.223 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1cc(Cl)sc1Cl ZINC000540019211 566623087 /nfs/dbraw/zinc/62/30/87/566623087.db2.gz QRJSJJFDPDFTON-UHFFFAOYSA-N -1 3 399.346 3.101 20 0 GGADHM C[C@H](CSc1ccccc1)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000652624882 566623098 /nfs/dbraw/zinc/62/30/98/566623098.db2.gz PEOJDUYFURQLKK-KGLIPLIRSA-N -1 3 398.575 3.054 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000513791296 566623547 /nfs/dbraw/zinc/62/35/47/566623547.db2.gz MJJUJQJERNCRPB-LBPRGKRZSA-N -1 3 375.416 3.392 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)c1 ZINC000513793152 566623917 /nfs/dbraw/zinc/62/39/17/566623917.db2.gz SPLIWTVGOBVEKM-UHFFFAOYSA-N -1 3 392.706 3.358 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(CSC)c1)c1ccccc1 ZINC000560439984 566625163 /nfs/dbraw/zinc/62/51/63/566625163.db2.gz AZCCAYTWOYTYQO-QGZVFWFLSA-N -1 3 379.503 3.248 20 0 GGADHM C[C@@](O)(CCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000513806188 566625389 /nfs/dbraw/zinc/62/53/89/566625389.db2.gz FCSBVXQRBLWJKD-GOSISDBHSA-N -1 3 378.266 3.155 20 0 GGADHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000540068725 566625477 /nfs/dbraw/zinc/62/54/77/566625477.db2.gz HOCGAOTZMVQSBZ-ZUZCIYMTSA-N -1 3 375.899 3.465 20 0 GGADHM Cc1cc(Br)ccc1-c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000579644356 566625808 /nfs/dbraw/zinc/62/58/08/566625808.db2.gz WEUMJLYGJTYQRB-UHFFFAOYSA-N -1 3 376.214 3.036 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)c(F)c1 ZINC000486824921 566625993 /nfs/dbraw/zinc/62/59/93/566625993.db2.gz ROSDTCPBWOFRRC-SSDOTTSWSA-N -1 3 384.376 3.349 20 0 GGADHM COc1ccc(COCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000540068923 566626538 /nfs/dbraw/zinc/62/65/38/566626538.db2.gz KGSQQOYGNWAIOQ-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)sc1Cl ZINC000486828392 566626612 /nfs/dbraw/zinc/62/66/12/566626612.db2.gz UQFBKKYVGYDCGX-UHFFFAOYSA-N -1 3 387.845 3.378 20 0 GGADHM C[C@H](Oc1ccc(I)cc1)C(=O)Nc1ccccc1[O-] ZINC000467122011 566626832 /nfs/dbraw/zinc/62/68/32/566626832.db2.gz IVRFEMDHRQEGCT-JTQLQIEISA-N -1 3 383.185 3.403 20 0 GGADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000579657163 566626981 /nfs/dbraw/zinc/62/69/81/566626981.db2.gz LPOUYUJGRMKZFF-UHFFFAOYSA-N -1 3 376.194 3.078 20 0 GGADHM COCCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000606342701 566627291 /nfs/dbraw/zinc/62/72/91/566627291.db2.gz WDCWHWHMYLAMLB-UHFFFAOYSA-N -1 3 383.857 3.372 20 0 GGADHM CCOC(=O)c1cc2cc([N-]S(=O)(=O)C[C@H]3CCCCO3)ccc2s1 ZINC000513816719 566627417 /nfs/dbraw/zinc/62/74/17/566627417.db2.gz SJHCHLVNYDFGMT-CQSZACIVSA-N -1 3 383.491 3.389 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)s1 ZINC000513843987 566628528 /nfs/dbraw/zinc/62/85/28/566628528.db2.gz LZMFYRRDSKWCRO-NSHDSACASA-N -1 3 384.361 3.140 20 0 GGADHM O=S(=O)([N-]CC1CCN(c2ccncc2)CC1)c1cccc(Cl)c1F ZINC000540070941 566627812 /nfs/dbraw/zinc/62/78/12/566627812.db2.gz LJOTXRMOXVLTQR-UHFFFAOYSA-N -1 3 383.876 3.069 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1NC1CCC1 ZINC000652788058 566628947 /nfs/dbraw/zinc/62/89/47/566628947.db2.gz KUXMASCROSQMBI-LBPRGKRZSA-N -1 3 379.507 3.018 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccccc1NC1CCC1 ZINC000652787303 566629052 /nfs/dbraw/zinc/62/90/52/566629052.db2.gz JFUQCEFPAAOFHC-UHFFFAOYSA-N -1 3 379.507 3.020 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000513846126 566629118 /nfs/dbraw/zinc/62/91/18/566629118.db2.gz ICFIXMRGZRMQDY-AWEZNQCLSA-N -1 3 382.917 3.065 20 0 GGADHM CC[C@H]1CCCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000540099159 566629263 /nfs/dbraw/zinc/62/92/63/566629263.db2.gz QALADWFUEIAVRC-NSHDSACASA-N -1 3 396.228 3.147 20 0 GGADHM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)on1 ZINC000579665360 566629335 /nfs/dbraw/zinc/62/93/35/566629335.db2.gz HKNPKZBSFQYMTI-UHFFFAOYSA-N -1 3 379.663 3.131 20 0 GGADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1ccc(Br)cc1F ZINC000560479450 566630431 /nfs/dbraw/zinc/63/04/31/566630431.db2.gz FLSKHEDXJRJXBL-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM O=C(COc1cccc(OC(F)(F)F)c1Br)[N-]CC(F)(F)F ZINC000629263283 566630771 /nfs/dbraw/zinc/63/07/71/566630771.db2.gz TVRYQJPTBCSHAS-UHFFFAOYSA-N -1 3 396.081 3.405 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCC)CCC)cc1 ZINC000606454835 566630749 /nfs/dbraw/zinc/63/07/49/566630749.db2.gz MBKBSTLYAGAGFD-UHFFFAOYSA-N -1 3 376.544 3.039 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)s1 ZINC000606462888 566632145 /nfs/dbraw/zinc/63/21/45/566632145.db2.gz VQXPEDXUCWVUDL-PWSUYJOCSA-N -1 3 386.564 3.225 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CC)C(C)(C)C)cc1 ZINC000606458412 566632781 /nfs/dbraw/zinc/63/27/81/566632781.db2.gz XTDRYFUGBNGVRF-INIZCTEOSA-N -1 3 390.571 3.331 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579730508 566633549 /nfs/dbraw/zinc/63/35/49/566633549.db2.gz ORUYBNNTFMYSDH-UHFFFAOYSA-N -1 3 395.200 3.225 20 0 GGADHM CCN1C[C@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@@H]1C ZINC000486896011 566634229 /nfs/dbraw/zinc/63/42/29/566634229.db2.gz QIUZMVJGFKWUTJ-RYUDHWBXSA-N -1 3 392.297 3.258 20 0 GGADHM COc1cc(NC(=O)c2cc(OC)c([O-])c(OC)c2)ccc1Br ZINC000513954654 566634358 /nfs/dbraw/zinc/63/43/58/566634358.db2.gz JVQRCGDIYHUSKH-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)CC2(OCC)CCOCC2)cc1Cl ZINC000629287756 566635115 /nfs/dbraw/zinc/63/51/15/566635115.db2.gz WEKWAXFZVHLVJD-UHFFFAOYSA-N -1 3 377.890 3.066 20 0 GGADHM CCOC1(CS(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)CCOCC1 ZINC000629288589 566635280 /nfs/dbraw/zinc/63/52/80/566635280.db2.gz CSMMNYZNYASFPR-UHFFFAOYSA-N -1 3 381.416 3.341 20 0 GGADHM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)Cc1ccc([O-])cc1Cl ZINC000513996194 566635249 /nfs/dbraw/zinc/63/52/49/566635249.db2.gz FWEACPWBWYNSCA-UHFFFAOYSA-N -1 3 380.897 3.123 20 0 GGADHM COc1ccc2nc(C3CC3)cc(C(=O)N=c3[nH][n-]cc3Br)c2c1 ZINC000560551674 566635413 /nfs/dbraw/zinc/63/54/13/566635413.db2.gz DIHASYTZAZQKKZ-UHFFFAOYSA-N -1 3 387.237 3.281 20 0 GGADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000579734584 566635381 /nfs/dbraw/zinc/63/53/81/566635381.db2.gz LYDXQQHNTBAAME-UHFFFAOYSA-N -1 3 398.294 3.080 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC2(C3CCC3)CC2)cc(C(F)(F)F)c1 ZINC000652867841 566635486 /nfs/dbraw/zinc/63/54/86/566635486.db2.gz DIKYJQVHAUOBHB-UHFFFAOYSA-N -1 3 376.400 3.139 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1COc2ccc(F)cc21 ZINC000467226731 566635436 /nfs/dbraw/zinc/63/54/36/566635436.db2.gz CSNHVFKTHIICFX-CYBMUJFWSA-N -1 3 381.201 3.227 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N=c1[nH][n-]cc1Br ZINC000560550921 566635917 /nfs/dbraw/zinc/63/59/17/566635917.db2.gz QGZFMMNLTGEXDN-ZETCQYMHSA-N -1 3 378.148 3.019 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccc(F)c(F)c1 ZINC000540214231 566636459 /nfs/dbraw/zinc/63/64/59/566636459.db2.gz UGMXSYNMTIYHLT-HNNXBMFYSA-N -1 3 377.359 3.217 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccc(F)c(F)c1 ZINC000540214232 566636613 /nfs/dbraw/zinc/63/66/13/566636613.db2.gz UGMXSYNMTIYHLT-OAHLLOKOSA-N -1 3 377.359 3.217 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)CCc2c(F)cccc2F)cc1OC ZINC000629289608 566636650 /nfs/dbraw/zinc/63/66/50/566636650.db2.gz MKIAGHASQCLICR-UHFFFAOYSA-N -1 3 375.368 3.106 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc(Br)c12 ZINC000540210025 566636754 /nfs/dbraw/zinc/63/67/54/566636754.db2.gz PTANNQOMIJJKSN-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc(Br)c12 ZINC000540210025 566636757 /nfs/dbraw/zinc/63/67/57/566636757.db2.gz PTANNQOMIJJKSN-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000579753540 566637021 /nfs/dbraw/zinc/63/70/21/566637021.db2.gz CPDHNZAPUCYLCH-UHFFFAOYSA-N -1 3 393.408 3.088 20 0 GGADHM CCOC1(CS(=O)(=O)[N-]c2c(F)cc(Cl)c(C)c2F)CCOCC1 ZINC000629294759 566637514 /nfs/dbraw/zinc/63/75/14/566637514.db2.gz BKTIFFBQSISUHT-UHFFFAOYSA-N -1 3 383.844 3.254 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cccc(NC(=O)c2cccs2)c1 ZINC000560552153 566637654 /nfs/dbraw/zinc/63/76/54/566637654.db2.gz XKIZFIZYVXOEEU-UHFFFAOYSA-N -1 3 391.250 3.160 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cncc(Cl)c1 ZINC000540217894 566637729 /nfs/dbraw/zinc/63/77/29/566637729.db2.gz ZAMCCVBJWKVZMV-GJZGRUSLSA-N -1 3 391.251 3.336 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000675329133 566638894 /nfs/dbraw/zinc/63/88/94/566638894.db2.gz GTLOBCIOUWIIKJ-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2Br)c[nH]1 ZINC000675335925 566638922 /nfs/dbraw/zinc/63/89/22/566638922.db2.gz MDTMGMMWNFBWSQ-NSHDSACASA-N -1 3 386.315 3.205 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)cc1C ZINC000629299693 566639105 /nfs/dbraw/zinc/63/91/05/566639105.db2.gz VKMUSWWKDZOSAC-UHFFFAOYSA-N -1 3 383.779 3.210 20 0 GGADHM CCOCc1nc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000450152386 566639741 /nfs/dbraw/zinc/63/97/41/566639741.db2.gz MTUSMPJHIXMPJE-UHFFFAOYSA-N -1 3 385.283 3.386 20 0 GGADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000675329455 566640089 /nfs/dbraw/zinc/64/00/89/566640089.db2.gz MCRBHKRULRFWNB-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000579796939 566640151 /nfs/dbraw/zinc/64/01/51/566640151.db2.gz XYODKVGUWVLTOZ-QGZVFWFLSA-N -1 3 379.229 3.499 20 0 GGADHM CCc1cc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)ccc1[O-] ZINC000486974065 566640327 /nfs/dbraw/zinc/64/03/27/566640327.db2.gz RZODQZDTKUVNKZ-OAHLLOKOSA-N -1 3 379.865 3.209 20 0 GGADHM CSc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1Br ZINC000629314274 566640843 /nfs/dbraw/zinc/64/08/43/566640843.db2.gz XAZWQPBMXSZENY-NSHDSACASA-N -1 3 380.329 3.482 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)c1 ZINC000487002464 566641264 /nfs/dbraw/zinc/64/12/64/566641264.db2.gz SBMRYEKHFNFXTD-HNNXBMFYSA-N -1 3 398.326 3.267 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000579822881 566641228 /nfs/dbraw/zinc/64/12/28/566641228.db2.gz JZUDWEBMUNPIRY-UHFFFAOYSA-N -1 3 382.207 3.102 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000579822881 566641233 /nfs/dbraw/zinc/64/12/33/566641233.db2.gz JZUDWEBMUNPIRY-UHFFFAOYSA-N -1 3 382.207 3.102 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)c1 ZINC000486987316 566642086 /nfs/dbraw/zinc/64/20/86/566642086.db2.gz MHVDWDVZHLRZIF-UHFFFAOYSA-N -1 3 398.326 3.269 20 0 GGADHM CC[C@@H](NC(=O)NCc1cnc(C)[n-]c1=O)c1cc(F)cc(Br)c1 ZINC000487025664 566643289 /nfs/dbraw/zinc/64/32/89/566643289.db2.gz ANXJJGPTGKGMKF-CQSZACIVSA-N -1 3 397.248 3.343 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cs1 ZINC000540305904 566643964 /nfs/dbraw/zinc/64/39/64/566643964.db2.gz CRVKTRUQWCFNDT-QMTHXVAHSA-N -1 3 398.326 3.265 20 0 GGADHM CCCCN(C)C(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCCS2 ZINC000467386792 566643962 /nfs/dbraw/zinc/64/39/62/566643962.db2.gz AQNMGLVRHBZTCC-UHFFFAOYSA-N -1 3 384.523 3.160 20 0 GGADHM Cc1cc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)ncn1 ZINC000579861511 566644604 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COc1ccc(Br)c(CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000488055335 566705823 /nfs/dbraw/zinc/70/58/23/566705823.db2.gz XDNSUWPVBOXASV-UHFFFAOYSA-N -1 3 387.233 3.229 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000515349266 566707283 /nfs/dbraw/zinc/70/72/83/566707283.db2.gz DCHFXJHNFWETQR-UBHSHLNASA-N -1 3 379.881 3.313 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)cs1 ZINC000541247124 566707493 /nfs/dbraw/zinc/70/74/93/566707493.db2.gz RIPKABWIWOKSIW-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000541258549 566708186 /nfs/dbraw/zinc/70/81/86/566708186.db2.gz VCGDZRGKMWNKHT-VIFPVBQESA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000541258549 566708191 /nfs/dbraw/zinc/70/81/91/566708191.db2.gz VCGDZRGKMWNKHT-VIFPVBQESA-N -1 3 396.241 3.063 20 0 GGADHM COC(=O)c1ccc(-c2nc(-c3ccc(Br)cc3OC)no2)[n-]1 ZINC000426413450 566710031 /nfs/dbraw/zinc/71/00/31/566710031.db2.gz SOMGGUOVRHQFIE-UHFFFAOYSA-N -1 3 378.182 3.289 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)c1Cl ZINC000676847676 566710334 /nfs/dbraw/zinc/71/03/34/566710334.db2.gz RUHQPHGYCTUEDI-GFCCVEGCSA-N -1 3 390.288 3.020 20 0 GGADHM CC[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000608244659 566710361 /nfs/dbraw/zinc/71/03/61/566710361.db2.gz YMBACWQMUZKSKA-NSHDSACASA-N -1 3 381.295 3.258 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000608244658 566711155 /nfs/dbraw/zinc/71/11/55/566711155.db2.gz YMBACWQMUZKSKA-LLVKDONJSA-N -1 3 381.295 3.258 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)s1 ZINC000676851226 566711283 /nfs/dbraw/zinc/71/12/83/566711283.db2.gz OEWSXBLNYHSBOL-AWEZNQCLSA-N -1 3 390.324 3.005 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC2(CO)CCCCC2)c(Cl)c1Cl ZINC000676864815 566712640 /nfs/dbraw/zinc/71/26/40/566712640.db2.gz LNWAKIZYIGHUBJ-UHFFFAOYSA-N -1 3 382.309 3.223 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(CO)CCCCC2)cc1Cl ZINC000676864600 566712728 /nfs/dbraw/zinc/71/27/28/566712728.db2.gz CDEMSGNZRMXQTM-UHFFFAOYSA-N -1 3 382.309 3.223 20 0 GGADHM CCCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C(C)C ZINC000515433044 566712782 /nfs/dbraw/zinc/71/27/82/566712782.db2.gz NORAQUNSPMYGFI-UHFFFAOYSA-N -1 3 398.244 3.393 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000676863576 566712971 /nfs/dbraw/zinc/71/29/71/566712971.db2.gz RJLLEKGPTVEGRB-RISCZKNCSA-N -1 3 386.926 3.293 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000468602796 566713110 /nfs/dbraw/zinc/71/31/10/566713110.db2.gz ZONLRRXRLTZJOM-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000580666471 566713174 /nfs/dbraw/zinc/71/31/74/566713174.db2.gz SDDVVRPPIQQOOD-UHFFFAOYSA-N -1 3 380.853 3.082 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1Br)c1ccccc1 ZINC000561518487 566713204 /nfs/dbraw/zinc/71/32/04/566713204.db2.gz DIICFPIWBQSESD-INIZCTEOSA-N -1 3 384.295 3.256 20 0 GGADHM COC(=O)c1ccc(-c2nc(-c3ccccc3I)no2)[n-]1 ZINC000426456675 566713757 /nfs/dbraw/zinc/71/37/57/566713757.db2.gz DMYMPDFGGNQUIL-UHFFFAOYSA-N -1 3 395.156 3.123 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C(C)(C)O1 ZINC000561531298 566714915 /nfs/dbraw/zinc/71/49/15/566714915.db2.gz RBZLGOBVNAFPJX-NSHDSACASA-N -1 3 385.379 3.349 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000608363066 566715297 /nfs/dbraw/zinc/71/52/97/566715297.db2.gz GVRCBAXONNWUMS-UHFFFAOYSA-N -1 3 390.221 3.469 20 0 GGADHM COC1(C[N-]S(=O)(=O)Cc2ccccc2Br)CCCCC1 ZINC000561530160 566715345 /nfs/dbraw/zinc/71/53/45/566715345.db2.gz PDIRSAWFFWHGEH-UHFFFAOYSA-N -1 3 376.316 3.218 20 0 GGADHM O=S(=O)([N-][C@@H](C1CCCCC1)C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000541311039 566715424 /nfs/dbraw/zinc/71/54/24/566715424.db2.gz FUPIPEQUZCBIKT-HNNXBMFYSA-N -1 3 379.400 3.247 20 0 GGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000541314237 566715765 /nfs/dbraw/zinc/71/57/65/566715765.db2.gz YBMOTCLJIGMRQA-GHMZBOCLSA-N -1 3 380.279 3.072 20 0 GGADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)on1 ZINC000608363159 566715810 /nfs/dbraw/zinc/71/58/10/566715810.db2.gz JVMRGDGLVQILGO-UHFFFAOYSA-N -1 3 377.235 3.178 20 0 GGADHM CC(C)Oc1cccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000676905046 566716210 /nfs/dbraw/zinc/71/62/10/566716210.db2.gz QBIBGWLGKCHGNH-UHFFFAOYSA-N -1 3 388.942 3.257 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538331 566716771 /nfs/dbraw/zinc/71/67/71/566716771.db2.gz LRLHEZNJBAHGNX-ZWNOBZJWSA-N -1 3 385.379 3.206 20 0 GGADHM CC(C)=C[C@@H]1[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000676945576 566717797 /nfs/dbraw/zinc/71/77/97/566717797.db2.gz FIBHAJUNXHCUCM-RISCZKNCSA-N -1 3 390.958 3.034 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1cc(F)cc(F)c1 ZINC000515520226 566717856 /nfs/dbraw/zinc/71/78/56/566717856.db2.gz WKCRYVDJFRICDR-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM O=C(c1ccc2cc(Br)ccc2c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000580740744 566720014 /nfs/dbraw/zinc/72/00/14/566720014.db2.gz SGRSCZWNPFXJSW-UHFFFAOYSA-N -1 3 384.233 3.296 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(F)c(Br)c(Cl)c1 ZINC000561559274 566720507 /nfs/dbraw/zinc/72/05/07/566720507.db2.gz RIFSSZMNVDOEKX-LLVKDONJSA-N -1 3 388.624 3.490 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1CCC1CCCC1 ZINC000488337247 566721178 /nfs/dbraw/zinc/72/11/78/566721178.db2.gz RSFZVTJGIWHSLP-MRXNPFEDSA-N -1 3 384.567 3.378 20 0 GGADHM Cc1ncc(CNCc2ccc(Br)c(Br)c2)c(=O)[n-]1 ZINC000541378754 566721963 /nfs/dbraw/zinc/72/19/63/566721963.db2.gz SJFWBKYYOYIWIC-UHFFFAOYSA-N -1 3 387.075 3.305 20 0 GGADHM O=C([O-])[C@H](CNCc1ccc(F)c(Br)c1)Oc1ccc(F)cc1 ZINC000426649972 566722271 /nfs/dbraw/zinc/72/22/71/566722271.db2.gz ZEWSRUKWBFGYFB-HNNXBMFYSA-N -1 3 386.192 3.349 20 0 GGADHM O=c1[n-]nc(SCc2ccc(F)c(Br)c2)n1C[C@H]1CCCO1 ZINC000515582735 566722289 /nfs/dbraw/zinc/72/22/89/566722289.db2.gz QLNJKXAZEUOZTL-SNVBAGLBSA-N -1 3 388.262 3.357 20 0 GGADHM O=C([O-])c1ccnc(N2CCC(NCc3ccccc3Br)CC2)c1 ZINC000426652423 566722395 /nfs/dbraw/zinc/72/23/95/566722395.db2.gz UCZCEAJPHVXULM-UHFFFAOYSA-N -1 3 390.281 3.301 20 0 GGADHM CCc1cccnc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000677046284 566722952 /nfs/dbraw/zinc/72/29/52/566722952.db2.gz ZAAREZQVOIJOMF-UHFFFAOYSA-N -1 3 379.507 3.132 20 0 GGADHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541389013 566723145 /nfs/dbraw/zinc/72/31/45/566723145.db2.gz GBMXGEITHWVEQU-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM COc1ccc(Br)cc1CNCCc1nc(C)c(C(=O)[O-])s1 ZINC000426692239 566723246 /nfs/dbraw/zinc/72/32/46/566723246.db2.gz QBYDKZYUDUYXGG-UHFFFAOYSA-N -1 3 385.283 3.253 20 0 GGADHM Cc1nc(CCNCc2cnn(-c3ccc(Cl)cc3)c2)sc1C(=O)[O-] ZINC000426692808 566723429 /nfs/dbraw/zinc/72/34/29/566723429.db2.gz AIFBWVIFZDFUSG-UHFFFAOYSA-N -1 3 376.869 3.321 20 0 GGADHM COc1ccc2nc(CNCCCc3nc(C)c(C(=O)[O-])s3)sc2c1 ZINC000426688830 566723512 /nfs/dbraw/zinc/72/35/12/566723512.db2.gz XFNRTBUBGYFQNX-UHFFFAOYSA-N -1 3 377.491 3.490 20 0 GGADHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C[C@@H](C)O1 ZINC000580810593 566724650 /nfs/dbraw/zinc/72/46/50/566724650.db2.gz MIUPRUFQQHZNJB-RKDXNWHRSA-N -1 3 382.707 3.337 20 0 GGADHM COc1c(Br)cccc1CN[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000426719624 566724830 /nfs/dbraw/zinc/72/48/30/566724830.db2.gz IFFKBKFGJLJLAG-OAHLLOKOSA-N -1 3 382.229 3.382 20 0 GGADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1ncc(Br)cc1Br ZINC000426735597 566725184 /nfs/dbraw/zinc/72/51/84/566725184.db2.gz UPZMGTNWTBCTJA-DGCLKSJQSA-N -1 3 392.091 3.340 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C[C@H](C)O1 ZINC000580810586 566725150 /nfs/dbraw/zinc/72/51/50/566725150.db2.gz MIUPRUFQQHZNJB-DOFRTFSJSA-N -1 3 382.707 3.337 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CCCc2cccc(Br)c2)c1 ZINC000677141707 566725758 /nfs/dbraw/zinc/72/57/58/566725758.db2.gz IUUICRHQDAWKHN-UHFFFAOYSA-N -1 3 386.315 3.138 20 0 GGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000677139678 566725914 /nfs/dbraw/zinc/72/59/14/566725914.db2.gz IVMSYHWWWWVRFA-UHFFFAOYSA-N -1 3 375.416 3.042 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)C(=O)[O-])n1 ZINC000426732765 566725934 /nfs/dbraw/zinc/72/59/34/566725934.db2.gz JTCZOQQHUDIBFD-CQSZACIVSA-N -1 3 375.778 3.415 20 0 GGADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cncc(Br)c1 ZINC000426746747 566726697 /nfs/dbraw/zinc/72/66/97/566726697.db2.gz ZOUAOLHPUHULQV-MRXNPFEDSA-N -1 3 395.322 3.363 20 0 GGADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C)cs2)N2CCCC2)cc1 ZINC000450974936 566727025 /nfs/dbraw/zinc/72/70/25/566727025.db2.gz NXUHGRWZVPCLQE-QGZVFWFLSA-N -1 3 380.535 3.181 20 0 GGADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000677144178 566727183 /nfs/dbraw/zinc/72/71/83/566727183.db2.gz OJRKIKUKJIIGFM-NEPJUHHUSA-N -1 3 381.464 3.192 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCOC(C)(C)C1 ZINC000677153198 566727339 /nfs/dbraw/zinc/72/73/39/566727339.db2.gz UQOIPSGXNVYPCN-LBPRGKRZSA-N -1 3 392.315 3.084 20 0 GGADHM CCOc1cccc(CN[C@H](Cc2cccc(Br)c2)C(=O)[O-])n1 ZINC000426753095 566727401 /nfs/dbraw/zinc/72/74/01/566727401.db2.gz GTFRIPPZMHVDMZ-OAHLLOKOSA-N -1 3 379.254 3.028 20 0 GGADHM Cc1cc(C)n(C[C@@H](NCc2cc(Br)ccc2Cl)C(=O)[O-])n1 ZINC000426763940 566727556 /nfs/dbraw/zinc/72/75/56/566727556.db2.gz USFYSWZQMUNHBL-CQSZACIVSA-N -1 3 386.677 3.159 20 0 GGADHM COc1cc(C[C@@H](NCc2ccccc2Br)C(=O)[O-])cc(OC)c1 ZINC000426784793 566729195 /nfs/dbraw/zinc/72/91/95/566729195.db2.gz NSROCMLOYDCGCZ-QGZVFWFLSA-N -1 3 394.265 3.252 20 0 GGADHM Cc1cc(C)c(NC(=O)CS(=O)(=O)c2ncc(C(C)(C)C)[n-]2)c(Cl)c1 ZINC000630437045 566729657 /nfs/dbraw/zinc/72/96/57/566729657.db2.gz WHLAOPQIAMGADS-UHFFFAOYSA-N -1 3 383.901 3.390 20 0 GGADHM Cc1cc(C)c(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)c[n-]2)c(Cl)c1 ZINC000630437045 566729661 /nfs/dbraw/zinc/72/96/61/566729661.db2.gz WHLAOPQIAMGADS-UHFFFAOYSA-N -1 3 383.901 3.390 20 0 GGADHM O=S(=O)([N-]C1CCN(c2noc3ccc(Cl)cc32)CC1)c1cccs1 ZINC000580865008 566729686 /nfs/dbraw/zinc/72/96/86/566729686.db2.gz FLJLCYUPYYGUMO-UHFFFAOYSA-N -1 3 397.909 3.490 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1)C(C)C ZINC000468784865 566729668 /nfs/dbraw/zinc/72/96/68/566729668.db2.gz BUKAGLGZBSHZKR-OAHLLOKOSA-N -1 3 381.519 3.328 20 0 GGADHM CC(C)c1cnc(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)[n-]1 ZINC000630430949 566729851 /nfs/dbraw/zinc/72/98/51/566729851.db2.gz RZZGOBHZLDWEAO-JSGCOSHPSA-N -1 3 381.523 3.121 20 0 GGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000630430949 566729856 /nfs/dbraw/zinc/72/98/56/566729856.db2.gz RZZGOBHZLDWEAO-JSGCOSHPSA-N -1 3 381.523 3.121 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN(C)CC(F)(F)F)c1Cl ZINC000515733958 566730386 /nfs/dbraw/zinc/73/03/86/566730386.db2.gz BTCRCXPXNPRPEV-UHFFFAOYSA-N -1 3 393.258 3.464 20 0 GGADHM O=C([O-])[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(F)cc1 ZINC000426807173 566730753 /nfs/dbraw/zinc/73/07/53/566730753.db2.gz MNSQHBPWDHITTI-AWEZNQCLSA-N -1 3 382.185 3.232 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000426808628 566730793 /nfs/dbraw/zinc/73/07/93/566730793.db2.gz AHMJKAUBSSAVBK-INIZCTEOSA-N -1 3 378.222 3.136 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F ZINC000468803776 566730980 /nfs/dbraw/zinc/73/09/80/566730980.db2.gz CSLNBRXUZIUPTI-NXEZZACHSA-N -1 3 389.823 3.230 20 0 GGADHM COc1cccc(C[C@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000426808229 566731133 /nfs/dbraw/zinc/73/11/33/566731133.db2.gz QRPXKLOYTPDWEO-INIZCTEOSA-N -1 3 382.229 3.382 20 0 GGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1 ZINC000450993098 566731285 /nfs/dbraw/zinc/73/12/85/566731285.db2.gz TWBFKFUYDXZGLH-UHFFFAOYSA-N -1 3 386.832 3.301 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C ZINC000608745183 566731481 /nfs/dbraw/zinc/73/14/81/566731481.db2.gz ZYMIZOWLZBWVQI-AWEZNQCLSA-N -1 3 394.331 3.187 20 0 GGADHM COc1cccc(C[C@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000426798729 566731652 /nfs/dbraw/zinc/73/16/52/566731652.db2.gz GCBPSDHEVSXFQX-INIZCTEOSA-N -1 3 382.229 3.382 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc(OC)c1 ZINC000426811350 566731693 /nfs/dbraw/zinc/73/16/93/566731693.db2.gz MDMOQXLTZUPQOW-MRXNPFEDSA-N -1 3 380.238 3.382 20 0 GGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)n1 ZINC000541533929 566732005 /nfs/dbraw/zinc/73/20/05/566732005.db2.gz KXWGHKXQFFTJJW-LLVKDONJSA-N -1 3 380.231 3.394 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000580907976 566732271 /nfs/dbraw/zinc/73/22/71/566732271.db2.gz XGBPGKVLWZINBR-GFCCVEGCSA-N -1 3 390.933 3.153 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(C)C)s1 ZINC000515760864 566732356 /nfs/dbraw/zinc/73/23/56/566732356.db2.gz QAGXUWSWDRQKRZ-LBPRGKRZSA-N -1 3 383.491 3.361 20 0 GGADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cncc(Cl)c3)co2)cc1 ZINC000677239042 566732456 /nfs/dbraw/zinc/73/24/56/566732456.db2.gz LQCWYMYEJLBQBT-UHFFFAOYSA-N -1 3 377.853 3.219 20 0 GGADHM Cn1nnc2cc(CN[C@@H](CC(=O)[O-])c3cccc(Br)c3)ccc21 ZINC000426816612 566732586 /nfs/dbraw/zinc/73/25/86/566732586.db2.gz PXDMDPFSYUMDPU-AWEZNQCLSA-N -1 3 389.253 3.036 20 0 GGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000630457426 566732791 /nfs/dbraw/zinc/73/27/91/566732791.db2.gz XZLFQVWIEPPJIS-OQPBUACISA-N -1 3 380.229 3.474 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000677240535 566732832 /nfs/dbraw/zinc/73/28/32/566732832.db2.gz GHGRRXAOCUNOQI-GFCCVEGCSA-N -1 3 380.413 3.136 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cncc(Cl)c1 ZINC000677239791 566732967 /nfs/dbraw/zinc/73/29/67/566732967.db2.gz YJJBRHHWQLWKJM-GFCCVEGCSA-N -1 3 386.304 3.193 20 0 GGADHM Cn1nnc2cc(CN[C@H](CC(=O)[O-])c3cccc(Br)c3)ccc21 ZINC000426816613 566733318 /nfs/dbraw/zinc/73/33/18/566733318.db2.gz PXDMDPFSYUMDPU-CQSZACIVSA-N -1 3 389.253 3.036 20 0 GGADHM Cc1cc(C)cc(C[C@H](NCc2ncc(Br)cc2F)C(=O)[O-])c1 ZINC000630457585 566733414 /nfs/dbraw/zinc/73/34/14/566733414.db2.gz YTVDDMBPXFVYGQ-HNNXBMFYSA-N -1 3 381.245 3.386 20 0 GGADHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CC1)c1cncc(Cl)c1 ZINC000677239418 566733440 /nfs/dbraw/zinc/73/34/40/566733440.db2.gz SWSYPXGNYVIDHD-UHFFFAOYSA-N -1 3 387.686 3.465 20 0 GGADHM Cc1cc(C)cc(C[C@@H](NCc2ncc(Br)cc2F)C(=O)[O-])c1 ZINC000630457586 566733620 /nfs/dbraw/zinc/73/36/20/566733620.db2.gz YTVDDMBPXFVYGQ-OAHLLOKOSA-N -1 3 381.245 3.386 20 0 GGADHM COc1ccc(Br)cc1[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000515801045 566733836 /nfs/dbraw/zinc/73/38/36/566733836.db2.gz CIEBWKVCQUURBV-QFIPXVFZSA-N -1 3 383.267 3.139 20 0 GGADHM COc1cc(CN[C@@H](CC2(OC)CCC2)C(=O)[O-])c(F)cc1Br ZINC000630462779 566734205 /nfs/dbraw/zinc/73/42/05/566734205.db2.gz SJFUSHICTYTAPF-ZDUSSCGKSA-N -1 3 390.249 3.099 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000677241030 566734293 /nfs/dbraw/zinc/73/42/93/566734293.db2.gz QZSOHHRMQDVWNA-QAPCUYQASA-N -1 3 380.897 3.490 20 0 GGADHM CO[C@@H](C[C@@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-])C1CC1 ZINC000630461790 566734524 /nfs/dbraw/zinc/73/45/24/566734524.db2.gz FGUGDHOQNNEGKO-NEPJUHHUSA-N -1 3 378.213 3.085 20 0 GGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2cnc(C)s2)c(OC(F)F)c1 ZINC000677242067 566734535 /nfs/dbraw/zinc/73/45/35/566734535.db2.gz XPQYYWRNFSNLPZ-UHFFFAOYSA-N -1 3 392.449 3.320 20 0 GGADHM CO[C@H](C[C@@H](NCc1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000630461809 566735002 /nfs/dbraw/zinc/73/50/02/566735002.db2.gz GAMOKDNUMSDRMC-CHWSQXEVSA-N -1 3 376.678 3.460 20 0 GGADHM CO[C@@H](C[C@@H](NCc1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000630461810 566735137 /nfs/dbraw/zinc/73/51/37/566735137.db2.gz GAMOKDNUMSDRMC-OLZOCXBDSA-N -1 3 376.678 3.460 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)c(C(F)(F)F)c1 ZINC000451018390 566735632 /nfs/dbraw/zinc/73/56/32/566735632.db2.gz XKXQDSRTSWDMOJ-UHFFFAOYSA-N -1 3 382.385 3.456 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](OC2CCC2)C1 ZINC000654496200 566736533 /nfs/dbraw/zinc/73/65/33/566736533.db2.gz MJTKWFOGRXDBEV-AWEZNQCLSA-N -1 3 383.286 3.398 20 0 GGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000451022017 566737906 /nfs/dbraw/zinc/73/79/06/566737906.db2.gz GJLCPVUISGTNSP-FUHWJXTLSA-N -1 3 384.234 3.497 20 0 GGADHM COc1cc(OC)c(C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000488654731 566737968 /nfs/dbraw/zinc/73/79/68/566737968.db2.gz ARGLVFMZYPHVKT-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000451028485 566738995 /nfs/dbraw/zinc/73/89/95/566738995.db2.gz OWBCXEHBUDMSTJ-UHFFFAOYSA-N -1 3 388.293 3.206 20 0 GGADHM O=S(=O)([N-][C@@H](Cn1cccn1)c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000677313334 566739107 /nfs/dbraw/zinc/73/91/07/566739107.db2.gz JJLCNPYTBPGXFY-KRWDZBQOSA-N -1 3 379.844 3.395 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC)[C@H]1CCCO1 ZINC000677315262 566739504 /nfs/dbraw/zinc/73/95/04/566739504.db2.gz KEAKTFAGNUDSEN-QWHCGFSZSA-N -1 3 392.315 3.084 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCNC(=O)C(C)C)c1Cl ZINC000677316792 566739647 /nfs/dbraw/zinc/73/96/47/566739647.db2.gz KZFDSNWOKGQGOX-UHFFFAOYSA-N -1 3 381.325 3.051 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCN1Cc1ccccc1 ZINC000488680172 566739562 /nfs/dbraw/zinc/73/95/62/566739562.db2.gz YRRMMYWSDBWWFS-MRXNPFEDSA-N -1 3 375.266 3.045 20 0 GGADHM CN(C)C[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000580973296 566739878 /nfs/dbraw/zinc/73/98/78/566739878.db2.gz YUZYEJBMZJCTEZ-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM COC(=O)CCN(Cc1cccc(Br)c1)Cc1ncccc1[O-] ZINC000580980049 566740028 /nfs/dbraw/zinc/74/00/28/566740028.db2.gz XGRIOLXKSACKRG-UHFFFAOYSA-N -1 3 379.254 3.115 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCN1Cc1ccccc1 ZINC000488680171 566740106 /nfs/dbraw/zinc/74/01/06/566740106.db2.gz YRRMMYWSDBWWFS-INIZCTEOSA-N -1 3 375.266 3.045 20 0 GGADHM Cc1cc(CS(=O)(=O)[N-][C@@H]2c3cc(Br)ccc3CC2(C)C)on1 ZINC000580987954 566741420 /nfs/dbraw/zinc/74/14/20/566741420.db2.gz IGZVIKBLSOJCSP-OAHLLOKOSA-N -1 3 399.310 3.489 20 0 GGADHM CC(=O)N[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1cccs1 ZINC000488686662 566741395 /nfs/dbraw/zinc/74/13/95/566741395.db2.gz OEXFZBYWHPHJKE-ZDUSSCGKSA-N -1 3 397.294 3.100 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(c(Cl)c1)OCO2 ZINC000488689745 566741621 /nfs/dbraw/zinc/74/16/21/566741621.db2.gz WAPMZHUZTZPTCC-UHFFFAOYSA-N -1 3 384.613 3.467 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000608896851 566742015 /nfs/dbraw/zinc/74/20/15/566742015.db2.gz BRHGCPHLWBNYKN-ZETCQYMHSA-N -1 3 390.248 3.428 20 0 GGADHM CN(C)CCn1nccc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000451043449 566742228 /nfs/dbraw/zinc/74/22/28/566742228.db2.gz GPGOHUZGMZOYHR-UHFFFAOYSA-N -1 3 384.914 3.114 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@H]2CCO[C@@H]21 ZINC000581004541 566743378 /nfs/dbraw/zinc/74/33/78/566743378.db2.gz CZMBNWIXAIDESM-WQHBLYJGSA-N -1 3 394.718 3.194 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1c[nH]c(=O)c(C)c1 ZINC000677418225 566744463 /nfs/dbraw/zinc/74/44/63/566744463.db2.gz IZJFVJFXIGRAOC-UHFFFAOYSA-N -1 3 387.255 3.058 20 0 GGADHM CCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H](C)c1ccc(F)cc1 ZINC000488723059 566744466 /nfs/dbraw/zinc/74/44/66/566744466.db2.gz HGBGQPQKWFKXKT-ZDUSSCGKSA-N -1 3 384.498 3.165 20 0 GGADHM CSc1nnc(NC(=O)c2cc(Cl)ccc2I)[n-]1 ZINC000608986464 566744918 /nfs/dbraw/zinc/74/49/18/566744918.db2.gz HNTKVZAYFHCZRN-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1n[n-]c(NC(=O)c2cc(Cl)ccc2I)n1 ZINC000608986464 566744925 /nfs/dbraw/zinc/74/49/25/566744925.db2.gz HNTKVZAYFHCZRN-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM CSc1nc(NC(=O)c2cc(Cl)ccc2I)n[n-]1 ZINC000608986464 566744930 /nfs/dbraw/zinc/74/49/30/566744930.db2.gz HNTKVZAYFHCZRN-UHFFFAOYSA-N -1 3 394.625 3.037 20 0 GGADHM COc1cc(NC(=O)CC[S@@](=O)c2cccc([O-])c2)c(OC)cc1Cl ZINC000541759705 566745750 /nfs/dbraw/zinc/74/57/50/566745750.db2.gz XBNJKAVMDRENHZ-RUZDIDTESA-N -1 3 383.853 3.199 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000451058582 566745780 /nfs/dbraw/zinc/74/57/80/566745780.db2.gz GQJSDDSJHFXKFZ-GFCCVEGCSA-N -1 3 380.413 3.432 20 0 GGADHM O=S(=O)(Cc1ccccc1Cl)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000541760763 566745889 /nfs/dbraw/zinc/74/58/89/566745889.db2.gz OYQOAMDGUXXQTM-CQSZACIVSA-N -1 3 378.252 3.286 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000468941664 566745868 /nfs/dbraw/zinc/74/58/68/566745868.db2.gz MAQCXXKZDGZEMZ-ZDUSSCGKSA-N -1 3 398.893 3.459 20 0 GGADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000541760707 566746132 /nfs/dbraw/zinc/74/61/32/566746132.db2.gz KLNBMRCNDLSRLA-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000541761006 566746395 /nfs/dbraw/zinc/74/63/95/566746395.db2.gz OPEWTYXWCQIONH-NSHDSACASA-N -1 3 383.853 3.164 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000427096415 566746644 /nfs/dbraw/zinc/74/66/44/566746644.db2.gz HCXFIUGOFUCHHP-ZBFHGGJFSA-N -1 3 384.567 3.376 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cnc1C ZINC000427113292 566748307 /nfs/dbraw/zinc/74/83/07/566748307.db2.gz GSFYEWIKZXCRNF-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM O=C(NCc1cccnc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468973224 566748414 /nfs/dbraw/zinc/74/84/14/566748414.db2.gz PCEZFGKTGMLRKL-UHFFFAOYSA-N -1 3 392.640 3.269 20 0 GGADHM O=C(NCc1cccnc1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000468973224 566748417 /nfs/dbraw/zinc/74/84/17/566748417.db2.gz PCEZFGKTGMLRKL-UHFFFAOYSA-N -1 3 392.640 3.269 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000427118410 566748379 /nfs/dbraw/zinc/74/83/79/566748379.db2.gz XEAGIDQDLYMFSY-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM COCc1ccccc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000451068612 566748416 /nfs/dbraw/zinc/74/84/16/566748416.db2.gz QQLCTACOIOQYPL-LBPRGKRZSA-N -1 3 380.413 3.180 20 0 GGADHM CC(C)N1C[C@H](C)[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000541798570 566748937 /nfs/dbraw/zinc/74/89/37/566748937.db2.gz MENXCCOZGSDQFH-SMDDNHRTSA-N -1 3 379.917 3.131 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000427124986 566749807 /nfs/dbraw/zinc/74/98/07/566749807.db2.gz YFDNFFMEJKZLNP-UHFFFAOYSA-N -1 3 379.243 3.014 20 0 GGADHM CC1CCN(CCNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CC1 ZINC000541798812 566749836 /nfs/dbraw/zinc/74/98/36/566749836.db2.gz HLICJEBXTULYMH-UHFFFAOYSA-N -1 3 379.917 3.134 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)C2CCC(C(F)(F)F)CC2)CCC(C)CC1 ZINC000451078414 566750655 /nfs/dbraw/zinc/75/06/55/566750655.db2.gz FKSQAIXQXOJATI-UHFFFAOYSA-N -1 3 385.448 3.149 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1)C(F)F ZINC000451078332 566750846 /nfs/dbraw/zinc/75/08/46/566750846.db2.gz DPHJXHMMWBPMEI-LLVKDONJSA-N -1 3 392.251 3.341 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000427154157 566751868 /nfs/dbraw/zinc/75/18/68/566751868.db2.gz VMVABUFQHDYSLV-UHFFFAOYSA-N -1 3 376.221 3.166 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1C ZINC000488854883 566752422 /nfs/dbraw/zinc/75/24/22/566752422.db2.gz PDJFZJCPSUGHFQ-NEPJUHHUSA-N -1 3 382.423 3.386 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cnc1C)c1ccccc1 ZINC000451086984 566752517 /nfs/dbraw/zinc/75/25/17/566752517.db2.gz NCPBWTZQLFKMDX-HNNXBMFYSA-N -1 3 385.283 3.282 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c2cccnc12 ZINC000541824698 566752542 /nfs/dbraw/zinc/75/25/42/566752542.db2.gz DQGACZFDBHXDFJ-CQSZACIVSA-N -1 3 376.400 3.499 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000541829052 566752817 /nfs/dbraw/zinc/75/28/17/566752817.db2.gz RIMTZRXHFZQWPJ-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM NC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000541827329 566752930 /nfs/dbraw/zinc/75/29/30/566752930.db2.gz RNDJUNWKQZOZPS-ZDUSSCGKSA-N -1 3 392.786 3.021 20 0 GGADHM CCc1ccc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000469009745 566753042 /nfs/dbraw/zinc/75/30/42/566753042.db2.gz OTGZYUBCNIOGID-UHFFFAOYSA-N -1 3 380.897 3.269 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1cc(F)ccc1Cl ZINC000488860891 566754009 /nfs/dbraw/zinc/75/40/09/566754009.db2.gz XNDKFXUVVVGPHQ-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c(Br)c1 ZINC000541848590 566755524 /nfs/dbraw/zinc/75/55/24/566755524.db2.gz YULQNBHCSJWJEQ-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c(Br)c1 ZINC000541848590 566755529 /nfs/dbraw/zinc/75/55/29/566755529.db2.gz YULQNBHCSJWJEQ-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(Br)c1 ZINC000541848590 566755534 /nfs/dbraw/zinc/75/55/34/566755534.db2.gz YULQNBHCSJWJEQ-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccsc1 ZINC000488889656 566755868 /nfs/dbraw/zinc/75/58/68/566755868.db2.gz YLJQIHXFRAJXLV-ZDUSSCGKSA-N -1 3 396.431 3.487 20 0 GGADHM CC(C)(C)c1csc2ncnc(NCC[N-]S(=O)(=O)c3cccs3)c12 ZINC000427194903 566756556 /nfs/dbraw/zinc/75/65/56/566756556.db2.gz YIHFWATZGOKDNE-UHFFFAOYSA-N -1 3 396.563 3.441 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488913121 566756863 /nfs/dbraw/zinc/75/68/63/566756863.db2.gz CVGWEFGYNGHQOP-UHFFFAOYSA-N -1 3 377.359 3.374 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc2c1OCOC2)c1cc(F)ccc1Cl ZINC000488922672 566756936 /nfs/dbraw/zinc/75/69/36/566756936.db2.gz YJNSOVVGJVPAAS-UHFFFAOYSA-N -1 3 389.807 3.006 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000541870882 566757317 /nfs/dbraw/zinc/75/73/17/566757317.db2.gz LUDOXKQSWNMZNT-CYBMUJFWSA-N -1 3 379.356 3.234 20 0 GGADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000562010446 566757499 /nfs/dbraw/zinc/75/74/99/566757499.db2.gz XSFCAUWWYALBEI-SNVBAGLBSA-N -1 3 389.882 3.364 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000451103312 566758662 /nfs/dbraw/zinc/75/86/62/566758662.db2.gz BJFVVPMRAGOMOV-CHWSQXEVSA-N -1 3 399.818 3.131 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)NCCCc1ccc(Cl)cc1Cl ZINC000427230720 566759464 /nfs/dbraw/zinc/75/94/64/566759464.db2.gz RCYNOCLJKLOKII-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cc(C)cs3)CCOCC2)cc1 ZINC000451105476 566759624 /nfs/dbraw/zinc/75/96/24/566759624.db2.gz CJHZGLUHQTUNLX-UHFFFAOYSA-N -1 3 381.519 3.092 20 0 GGADHM COC(=O)CC1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000427247874 566760443 /nfs/dbraw/zinc/76/04/43/566760443.db2.gz CSRCMDWFIWGJKU-UHFFFAOYSA-N -1 3 385.791 3.123 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(CC)CC2)c(Br)c1 ZINC000427250006 566760524 /nfs/dbraw/zinc/76/05/24/566760524.db2.gz MYMQIRZYANCDOT-UHFFFAOYSA-N -1 3 390.299 3.094 20 0 GGADHM CSCC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000609351881 566761130 /nfs/dbraw/zinc/76/11/30/566761130.db2.gz XVYHLLJONBLRLJ-UHFFFAOYSA-N -1 3 393.353 3.214 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N(C)C)c1 ZINC000489000866 566761559 /nfs/dbraw/zinc/76/15/59/566761559.db2.gz LKBGTTYCSWQKMH-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3c(F)ccc(Br)c3C2)on1 ZINC000451115889 566761733 /nfs/dbraw/zinc/76/17/33/566761733.db2.gz PEZPTOAMOCIKLE-SNVBAGLBSA-N -1 3 382.233 3.270 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000469096957 566761848 /nfs/dbraw/zinc/76/18/48/566761848.db2.gz XAPSLUVYUMUJFB-LBPRGKRZSA-N -1 3 387.395 3.106 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)c(Br)c1 ZINC000427263514 566762342 /nfs/dbraw/zinc/76/23/42/566762342.db2.gz UXNGGHIHAGIYEN-ZDUSSCGKSA-N -1 3 390.299 3.093 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000427282013 566762417 /nfs/dbraw/zinc/76/24/17/566762417.db2.gz CPZSMIPQRCFYCD-ISQRANHSSA-N -1 3 398.575 3.168 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2c(F)cc(Br)cc2C1 ZINC000654892258 566762495 /nfs/dbraw/zinc/76/24/95/566762495.db2.gz HVEULJAZDOPASL-UHFFFAOYSA-N -1 3 392.228 3.160 20 0 GGADHM CS(=O)(=O)c1ccc(F)c(CNCc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000562078482 566762631 /nfs/dbraw/zinc/76/26/31/566762631.db2.gz JABMUNKLOQJREY-UHFFFAOYSA-N -1 3 377.359 3.243 20 0 GGADHM CCN(CCNC(=O)c1ccc(Br)c([O-])c1)CCC(F)(F)F ZINC000427271379 566762679 /nfs/dbraw/zinc/76/26/79/566762679.db2.gz DSNJCFPAUMDHKC-UHFFFAOYSA-N -1 3 383.208 3.159 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000516428812 566762823 /nfs/dbraw/zinc/76/28/23/566762823.db2.gz BQFRJYMUWONEKJ-CMPLNLGQSA-N -1 3 383.853 3.322 20 0 GGADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Cl ZINC000516411112 566763237 /nfs/dbraw/zinc/76/32/37/566763237.db2.gz XCUDQNKMOLDFIA-UHFFFAOYSA-N -1 3 383.853 3.101 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000489006002 566763709 /nfs/dbraw/zinc/76/37/09/566763709.db2.gz YWCIJGRETIOLPD-UHFFFAOYSA-N -1 3 377.359 3.374 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000516473028 566763878 /nfs/dbraw/zinc/76/38/78/566763878.db2.gz QRPRRIAABCIGJV-VIFPVBQESA-N -1 3 390.203 3.441 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)cs2)cc1OC(F)F ZINC000451151238 566766222 /nfs/dbraw/zinc/76/62/22/566766222.db2.gz AYKUFGYFUUKNCM-UHFFFAOYSA-N -1 3 377.434 3.188 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1cc(F)cc2c1OCOC2 ZINC000451158671 566768100 /nfs/dbraw/zinc/76/81/00/566768100.db2.gz MFIVOUBVNHBFHW-UHFFFAOYSA-N -1 3 389.807 3.104 20 0 GGADHM Cc1ccc([O-])c(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)n1 ZINC000581335476 566768764 /nfs/dbraw/zinc/76/87/64/566768764.db2.gz OERRYHFCGGOGJI-UHFFFAOYSA-N -1 3 375.837 3.332 20 0 GGADHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C(=O)OC)cc1 ZINC000451165862 566768963 /nfs/dbraw/zinc/76/89/63/566768963.db2.gz MJLIUYLODFEETD-LBPRGKRZSA-N -1 3 380.491 3.020 20 0 GGADHM CCc1noc(-c2ccc(CC[N-]S(=O)(=O)c3cc(C)cs3)cc2)n1 ZINC000451168153 566769318 /nfs/dbraw/zinc/76/93/18/566769318.db2.gz ZNXXPGPXURUMRJ-UHFFFAOYSA-N -1 3 377.491 3.190 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)c1 ZINC000451161917 566769445 /nfs/dbraw/zinc/76/94/45/566769445.db2.gz LYJFPAJIPKMNDN-UHFFFAOYSA-N -1 3 379.532 3.486 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)c2cnn(C)c2C)nc1-c1ccc(Cl)cc1 ZINC000489095365 566769742 /nfs/dbraw/zinc/76/97/42/566769742.db2.gz AJDJHKBRIFWSQV-UHFFFAOYSA-N -1 3 396.925 3.292 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-][C@H](C)c2c(F)cccc2F)CCCCC1 ZINC000489112026 566771159 /nfs/dbraw/zinc/77/11/59/566771159.db2.gz NFLGRQZFDGMPKY-GFCCVEGCSA-N -1 3 375.437 3.069 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000469213746 566772487 /nfs/dbraw/zinc/77/24/87/566772487.db2.gz NKFMREQIUXCCNS-BLLLJJGKSA-N -1 3 393.958 3.318 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000469233413 566773480 /nfs/dbraw/zinc/77/34/80/566773480.db2.gz OELBOTQIKXMGHJ-SNVBAGLBSA-N -1 3 389.823 3.375 20 0 GGADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000469218072 566773715 /nfs/dbraw/zinc/77/37/15/566773715.db2.gz NLEQFFFJERCVSN-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccc(Cl)c(F)c3)n2)cc1 ZINC000581394561 566773700 /nfs/dbraw/zinc/77/37/00/566773700.db2.gz PLYMUXXSSMHCJH-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655044824 566774567 /nfs/dbraw/zinc/77/45/67/566774567.db2.gz ZIPQDOJKSBWQTD-RKDXNWHRSA-N -1 3 380.267 3.170 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)c1ccon1 ZINC000542119364 566774735 /nfs/dbraw/zinc/77/47/35/566774735.db2.gz XQAORMJNZYAAPO-SSDOTTSWSA-N -1 3 399.188 3.495 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cs1 ZINC000427481801 566775952 /nfs/dbraw/zinc/77/59/52/566775952.db2.gz SPLSJYNJXIOJHF-GFCCVEGCSA-N -1 3 376.551 3.352 20 0 GGADHM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655072219 566776331 /nfs/dbraw/zinc/77/63/31/566776331.db2.gz IGHHARDCQAKAQX-CYBMUJFWSA-N 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/nfs/dbraw/zinc/77/93/10/566779310.db2.gz XXUOJOLLNZZOKD-LBPRGKRZSA-N -1 3 381.947 3.175 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000451226817 566779666 /nfs/dbraw/zinc/77/96/66/566779666.db2.gz MTMZGKMNALGPII-SNVBAGLBSA-N -1 3 396.317 3.082 20 0 GGADHM C/C(=C\c1ccccc1)CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000427571044 566779798 /nfs/dbraw/zinc/77/97/98/566779798.db2.gz BUHLZWAVHAYNSZ-JLHYYAGUSA-N -1 3 398.937 3.242 20 0 GGADHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000542175476 566780062 /nfs/dbraw/zinc/78/00/62/566780062.db2.gz XXADQTSNBGMZHW-UHFFFAOYSA-N -1 3 393.322 3.129 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000542167792 566780239 /nfs/dbraw/zinc/78/02/39/566780239.db2.gz FFNCEPVHUPXGRI-OAHLLOKOSA-N -1 3 376.254 3.325 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)s1 ZINC000489291852 566780457 /nfs/dbraw/zinc/78/04/57/566780457.db2.gz OOKPNFLWKJXHAM-UHFFFAOYSA-N -1 3 398.403 3.319 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C ZINC000469310669 566780611 /nfs/dbraw/zinc/78/06/11/566780611.db2.gz VSPJKXRYOGTGNU-WBMJQRKESA-N -1 3 393.933 3.093 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000451226816 566780597 /nfs/dbraw/zinc/78/05/97/566780597.db2.gz MTMZGKMNALGPII-JTQLQIEISA-N -1 3 396.317 3.082 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000469300941 566780908 /nfs/dbraw/zinc/78/09/08/566780908.db2.gz CWMRJBPWAOJVSL-QAPCUYQASA-N -1 3 385.913 3.365 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000451243327 566781227 /nfs/dbraw/zinc/78/12/27/566781227.db2.gz KYDLUWXMYVNAHE-AWEZNQCLSA-N -1 3 393.256 3.231 20 0 GGADHM CCCCC[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000489320219 566781932 /nfs/dbraw/zinc/78/19/32/566781932.db2.gz HWQORHCFYGWFSN-GFCCVEGCSA-N -1 3 378.947 3.251 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000451245792 566782071 /nfs/dbraw/zinc/78/20/71/566782071.db2.gz UJRABPNROXASMT-CYBMUJFWSA-N -1 3 384.910 3.184 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000562336552 566782273 /nfs/dbraw/zinc/78/22/73/566782273.db2.gz KZSJLBZCPYBESZ-UHFFFAOYSA-N -1 3 379.301 3.238 20 0 GGADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000609767789 566783103 /nfs/dbraw/zinc/78/31/03/566783103.db2.gz IUYMAACYMSPCHC-NEPJUHHUSA-N -1 3 388.942 3.177 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000489347392 566783471 /nfs/dbraw/zinc/78/34/71/566783471.db2.gz YKJVWEDXKIYTIU-HOCLYGCPSA-N -1 3 384.567 3.376 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)s1 ZINC000678154695 566785741 /nfs/dbraw/zinc/78/57/41/566785741.db2.gz SIRQNYLPVGYNSI-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)Cc2ccc(Br)c(F)c2)s1 ZINC000451271454 566786209 /nfs/dbraw/zinc/78/62/09/566786209.db2.gz SZNAQPHBTUBXCN-UHFFFAOYSA-N -1 3 393.303 3.227 20 0 GGADHM CCn1cc(-c2n[nH]cc2C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000427667252 566786402 /nfs/dbraw/zinc/78/64/02/566786402.db2.gz ZSDKNAZCXOZNEX-UHFFFAOYSA-N -1 3 376.214 3.014 20 0 GGADHM CC(F)(F)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000516852258 566786707 /nfs/dbraw/zinc/78/67/07/566786707.db2.gz KJADYWIEPVHWBU-UHFFFAOYSA-N -1 3 375.803 3.061 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000516846044 566787114 /nfs/dbraw/zinc/78/71/14/566787114.db2.gz BLPLSWDHPVOLNC-NSHDSACASA-N -1 3 393.515 3.177 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000516851461 566787427 /nfs/dbraw/zinc/78/74/27/566787427.db2.gz LGGRRBJMITVYHS-AWEZNQCLSA-N -1 3 390.216 3.232 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000516851461 566787432 /nfs/dbraw/zinc/78/74/32/566787432.db2.gz LGGRRBJMITVYHS-AWEZNQCLSA-N -1 3 390.216 3.232 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000516851461 566787441 /nfs/dbraw/zinc/78/74/41/566787441.db2.gz LGGRRBJMITVYHS-AWEZNQCLSA-N -1 3 390.216 3.232 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000469405912 566787715 /nfs/dbraw/zinc/78/77/15/566787715.db2.gz MHZVYSMGWGQQNY-ZDUSSCGKSA-N -1 3 393.456 3.052 20 0 GGADHM CC(C)(C)CC(=O)NCC(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427672945 566788001 /nfs/dbraw/zinc/78/80/01/566788001.db2.gz PTNVPNYASNVFTP-UHFFFAOYSA-N -1 3 384.230 3.188 20 0 GGADHM C[C@H](NC(=O)c1ccco1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427678257 566788212 /nfs/dbraw/zinc/78/82/12/566788212.db2.gz MKDOXWLAZDXOIU-QMMMGPOBSA-N -1 3 394.181 3.047 20 0 GGADHM C[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1cccc(Br)c1 ZINC000581557554 566788375 /nfs/dbraw/zinc/78/83/75/566788375.db2.gz NUIALESSHVCRJS-JTQLQIEISA-N -1 3 392.253 3.019 20 0 GGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000469419193 566788514 /nfs/dbraw/zinc/78/85/14/566788514.db2.gz AHSFRQGFSMVSMV-NWDGAFQWSA-N -1 3 378.416 3.292 20 0 GGADHM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427672381 566788837 /nfs/dbraw/zinc/78/88/37/566788837.db2.gz MIPYSEMLNOYIRG-QMMMGPOBSA-N -1 3 394.181 3.047 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451292351 566789485 /nfs/dbraw/zinc/78/94/85/566789485.db2.gz SZOCWFHAZQNUGN-FENDNCTDSA-N -1 3 383.510 3.337 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cs1 ZINC000451297591 566790920 /nfs/dbraw/zinc/79/09/20/566790920.db2.gz CSOPHDKDPSOSTK-SECBINFHSA-N -1 3 378.878 3.263 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C2(C)CC=CC2)cc1Cl ZINC000655628434 566823725 /nfs/dbraw/zinc/82/37/25/566823725.db2.gz XPSZHSKJADEBKY-UHFFFAOYSA-N -1 3 380.691 3.498 20 0 GGADHM O=C(CC[C@H]1CCOC1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000562441555 566791804 /nfs/dbraw/zinc/79/18/04/566791804.db2.gz SBYXFLXVKIZUCQ-VIFPVBQESA-N -1 3 383.221 3.129 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C(C)(C)C(C)C)c(OC)cc1Br ZINC000516905970 566791925 /nfs/dbraw/zinc/79/19/25/566791925.db2.gz XBTQSBKAPPCIRR-UHFFFAOYSA-N -1 3 380.304 3.179 20 0 GGADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1c(F)cccc1OC(F)(F)F ZINC000516918628 566792158 /nfs/dbraw/zinc/79/21/58/566792158.db2.gz RRCHSJXTIWYFSB-UHFFFAOYSA-N -1 3 375.343 3.170 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000427742973 566792831 /nfs/dbraw/zinc/79/28/31/566792831.db2.gz RXGLHKXYRAIIKM-UHFFFAOYSA-N -1 3 379.243 3.234 20 0 GGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542316534 566793307 /nfs/dbraw/zinc/79/33/07/566793307.db2.gz UZHYNUNSINJDSW-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542313869 566793459 /nfs/dbraw/zinc/79/34/59/566793459.db2.gz HCGMLUBBEHEMEK-NSHDSACASA-N -1 3 389.290 3.226 20 0 GGADHM O=C(NCCCC(F)(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562454882 566793791 /nfs/dbraw/zinc/79/37/91/566793791.db2.gz XSEFINKRZSOSOP-UHFFFAOYSA-N -1 3 377.160 3.363 20 0 GGADHM CO[C@H]1CCN(Cc2cc(Br)cc3cccnc32)[C@@H](C(=O)[O-])C1 ZINC000516939065 566793849 /nfs/dbraw/zinc/79/38/49/566793849.db2.gz KQYIBMOEUQVODL-LSDHHAIUSA-N -1 3 379.254 3.061 20 0 GGADHM O=C([O-])CCN(CCn1cc(Cl)cn1)Cc1cccc(Br)c1 ZINC000516933205 566794004 /nfs/dbraw/zinc/79/40/04/566794004.db2.gz VXBTXLCNSRXWMI-UHFFFAOYSA-N -1 3 386.677 3.276 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000542315402 566793981 /nfs/dbraw/zinc/79/39/81/566793981.db2.gz FGVXGJBINHYABS-KGLIPLIRSA-N -1 3 394.718 3.338 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCOCC1 ZINC000489552833 566794983 /nfs/dbraw/zinc/79/49/83/566794983.db2.gz QOGVMORRKNYJQS-LLVKDONJSA-N -1 3 385.379 3.208 20 0 GGADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000489575971 566796505 /nfs/dbraw/zinc/79/65/05/566796505.db2.gz YABBWVVSELXPQA-SECBINFHSA-N -1 3 393.317 3.211 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(Br)c(C)c1F ZINC000562508764 566796785 /nfs/dbraw/zinc/79/67/85/566796785.db2.gz ZNGDCEZBXGDDGR-UHFFFAOYSA-N -1 3 384.205 3.357 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(Br)c(C)c1F ZINC000562508764 566796791 /nfs/dbraw/zinc/79/67/91/566796791.db2.gz ZNGDCEZBXGDDGR-UHFFFAOYSA-N -1 3 384.205 3.357 20 0 GGADHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000678357793 566796912 /nfs/dbraw/zinc/79/69/12/566796912.db2.gz QGPQSRXBLNNPDL-SECBINFHSA-N -1 3 391.237 3.470 20 0 GGADHM O=C(NC[C@H]1CCCCS1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000542394619 566797328 /nfs/dbraw/zinc/79/73/28/566797328.db2.gz BYFOCLAXRLPSOW-LLVKDONJSA-N -1 3 381.295 3.306 20 0 GGADHM CC[C@H](CNC(=O)Cc1cncc([O-])c1)Cc1cccc(Br)c1 ZINC000655391647 566797988 /nfs/dbraw/zinc/79/79/88/566797988.db2.gz BKXSPCTVOIFGCG-ZDUSSCGKSA-N -1 3 377.282 3.477 20 0 GGADHM COc1ccc(NC(=O)Cc2ccc(I)cc2)c([O-])c1 ZINC000489601718 566798217 /nfs/dbraw/zinc/79/82/17/566798217.db2.gz CSUANFBPSBGIJT-UHFFFAOYSA-N -1 3 383.185 3.187 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000610005850 566798856 /nfs/dbraw/zinc/79/88/56/566798856.db2.gz HMHDEXQFAYJJKP-GDBMZVCRSA-N -1 3 379.503 3.224 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccc(F)cc1F ZINC000610006243 566799021 /nfs/dbraw/zinc/79/90/21/566799021.db2.gz KPYTZNUUUMITHU-ZDUSSCGKSA-N -1 3 375.418 3.243 20 0 GGADHM COc1cnc([N-]S(=O)(=O)Cc2ccccc2Cl)c(Br)c1 ZINC000581689673 566799260 /nfs/dbraw/zinc/79/92/60/566799260.db2.gz BQYQGBDIPMPDKS-UHFFFAOYSA-N -1 3 391.674 3.448 20 0 GGADHM COC[C@@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469559749 566799532 /nfs/dbraw/zinc/79/95/32/566799532.db2.gz BVRIIPNIPGGEEJ-MRVPVSSYSA-N -1 3 387.661 3.051 20 0 GGADHM COC[C@@H](C)N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469559749 566799536 /nfs/dbraw/zinc/79/95/36/566799536.db2.gz BVRIIPNIPGGEEJ-MRVPVSSYSA-N -1 3 387.661 3.051 20 0 GGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489633956 566799545 /nfs/dbraw/zinc/79/95/45/566799545.db2.gz CHEQNZWRPQUYKT-QWRGUYRKSA-N -1 3 385.379 3.208 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)cc1Cl ZINC000517011626 566800224 /nfs/dbraw/zinc/80/02/24/566800224.db2.gz CSDSHPMZQGEXAK-UHFFFAOYSA-N -1 3 377.249 3.346 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000489661762 566800948 /nfs/dbraw/zinc/80/09/48/566800948.db2.gz ZRLFSSRVOWOXGN-MRVPVSSYSA-N -1 3 384.376 3.263 20 0 GGADHM O=C(CSCc1ccc(Br)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000562547251 566801304 /nfs/dbraw/zinc/80/13/04/566801304.db2.gz JTPURKPNQWCDGP-AWEZNQCLSA-N -1 3 396.310 3.318 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C[C@H](C)n4ccnc43)s2)cs1 ZINC000562551276 566801331 /nfs/dbraw/zinc/80/13/31/566801331.db2.gz RERNBSMXVCIWJG-GXSJLCMTSA-N -1 3 380.520 3.361 20 0 GGADHM COc1cccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c1F ZINC000655465687 566801580 /nfs/dbraw/zinc/80/15/80/566801580.db2.gz IJZGZLGOWCQIGL-CYBMUJFWSA-N -1 3 384.498 3.011 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1ccc(Cl)cc1Br ZINC000562549828 566801544 /nfs/dbraw/zinc/80/15/44/566801544.db2.gz GIYAFPXLIMUKEV-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)CNC(=O)c2cccc([O-])c2)cc1Cl ZINC000427830256 566802044 /nfs/dbraw/zinc/80/20/44/566802044.db2.gz UOXDLUCUYLSWNF-UHFFFAOYSA-N -1 3 383.231 3.466 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1cncc(F)c1 ZINC000489663917 566802246 /nfs/dbraw/zinc/80/22/46/566802246.db2.gz IXJKPCNFBJIBCY-QMMMGPOBSA-N -1 3 382.310 3.298 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)COc2ccc(F)cc2F)c1 ZINC000489681473 566802761 /nfs/dbraw/zinc/80/27/61/566802761.db2.gz SXUTWNUILVHHAR-SNVBAGLBSA-N -1 3 391.823 3.373 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000678493159 566802747 /nfs/dbraw/zinc/80/27/47/566802747.db2.gz HLZWTDBVKJFJBV-UHFFFAOYSA-N -1 3 396.734 3.465 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000678530870 566803320 /nfs/dbraw/zinc/80/33/20/566803320.db2.gz QOLXAKLFZZCWHG-UHFFFAOYSA-N -1 3 389.249 3.287 20 0 GGADHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1Br ZINC000517067390 566804208 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MUGZQNWNTPDNNT-JTQLQIEISA-N -1 3 378.347 3.029 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c(=O)[n-]1 ZINC000428256508 566827164 /nfs/dbraw/zinc/82/71/64/566827164.db2.gz OOOMXRAAHRSVEZ-UHFFFAOYSA-N -1 3 377.857 3.096 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)Cc1ccccn1 ZINC000655651195 566827331 /nfs/dbraw/zinc/82/73/31/566827331.db2.gz LEVZMFXKMZDRJO-GFCCVEGCSA-N -1 3 399.310 3.152 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)Cc1ccccn1 ZINC000655652666 566827576 /nfs/dbraw/zinc/82/75/76/566827576.db2.gz GLWQNOVLCGSYMG-SNVBAGLBSA-N -1 3 375.313 3.124 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)sc1Br ZINC000655651376 566827710 /nfs/dbraw/zinc/82/77/10/566827710.db2.gz NMDRAACAWWUZOI-SNVBAGLBSA-N -1 3 375.313 3.124 20 0 GGADHM CCC(CC)c1cc(C(=O)[N-]c2ccncc2I)on1 ZINC000469928671 566827930 /nfs/dbraw/zinc/82/79/30/566827930.db2.gz QDDXQJRFQMSAIN-UHFFFAOYSA-N -1 3 385.205 3.252 20 0 GGADHM Cc1ccc(C[C@@H](CO)NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc1 ZINC000469931951 566827957 /nfs/dbraw/zinc/82/79/57/566827957.db2.gz AVUDLUMFQKSAEX-ZDUSSCGKSA-N -1 3 375.881 3.433 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(Cc3ccc(Cl)cc3)CCC2)s1 ZINC000490072825 566828638 /nfs/dbraw/zinc/82/86/38/566828638.db2.gz OFCGFBZBSWMGGM-UHFFFAOYSA-N -1 3 399.925 3.199 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1(CO)CCC1 ZINC000490079526 566828955 /nfs/dbraw/zinc/82/89/55/566828955.db2.gz KJAFJJSDGRANOA-CQSZACIVSA-N -1 3 383.407 3.310 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428265890 566829328 /nfs/dbraw/zinc/82/93/28/566829328.db2.gz QQADAPGDYURHQF-NOZJJQNGSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000582097118 566829863 /nfs/dbraw/zinc/82/98/63/566829863.db2.gz MSPOSYCJZNBEPI-CYBMUJFWSA-N -1 3 381.416 3.245 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)sc1Br ZINC000490091642 566830163 /nfs/dbraw/zinc/83/01/63/566830163.db2.gz MOLJKTMBGIIPQV-LBPRGKRZSA-N -1 3 396.372 3.285 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCCO1 ZINC000679012062 566830623 /nfs/dbraw/zinc/83/06/23/566830623.db2.gz KRJMNNNIDLEFFK-JOYOIKCWSA-N -1 3 382.707 3.338 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C1(CO)CCC1 ZINC000490100739 566830802 /nfs/dbraw/zinc/83/08/02/566830802.db2.gz WRXHQCXYZVBFEA-AWEZNQCLSA-N -1 3 394.306 3.054 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCCO1 ZINC000679012063 566830884 /nfs/dbraw/zinc/83/08/84/566830884.db2.gz KRJMNNNIDLEFFK-SKDRFNHKSA-N -1 3 382.707 3.338 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)[C@H]1CCCCO1 ZINC000679011305 566830969 /nfs/dbraw/zinc/83/09/69/566830969.db2.gz CINRECJGROPIKI-WCQYABFASA-N -1 3 392.315 3.084 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2c(C)[n-]c(=O)nc2SC)ccc1Cl ZINC000610473765 566832667 /nfs/dbraw/zinc/83/26/67/566832667.db2.gz TUPUWBZRTGMFFU-UHFFFAOYSA-N -1 3 381.841 3.295 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)c1nncn1C ZINC000451532958 566834186 /nfs/dbraw/zinc/83/41/86/566834186.db2.gz LMNACAIFELGDNQ-CYBMUJFWSA-N -1 3 384.914 3.359 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1C(F)(F)F ZINC000655669795 566834308 /nfs/dbraw/zinc/83/43/08/566834308.db2.gz RQSTVUICKMMMEN-KBPBESRZSA-N -1 3 380.407 3.140 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN2CCCC[C@@H]12)c1cc(Cl)ccc1OC(F)F ZINC000655666795 566834356 /nfs/dbraw/zinc/83/43/56/566834356.db2.gz AJNCTLCCEUJVLA-STQMWFEESA-N -1 3 394.871 3.237 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCN4CCCC[C@@H]34)s2)cs1 ZINC000655668575 566834618 /nfs/dbraw/zinc/83/46/18/566834618.db2.gz HABNNJAUPXTILJ-HIFRSBDPSA-N -1 3 397.591 3.475 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)s1 ZINC000655669354 566834810 /nfs/dbraw/zinc/83/48/10/566834810.db2.gz OVFXVLKWDPRLKG-QWHCGFSZSA-N -1 3 393.372 3.114 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)cc(Cl)c1 ZINC000428380197 566836194 /nfs/dbraw/zinc/83/61/94/566836194.db2.gz BTSPVWXCCGHRHU-IRXDYDNUSA-N -1 3 387.835 3.063 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428374000 566836531 /nfs/dbraw/zinc/83/65/31/566836531.db2.gz OXONDAMIPSHBPC-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000631946990 566836835 /nfs/dbraw/zinc/83/68/35/566836835.db2.gz QCGQHSRRBZWCJM-NSHDSACASA-N -1 3 397.294 3.354 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2cccc(Br)c2)CC1 ZINC000451558521 566837419 /nfs/dbraw/zinc/83/74/19/566837419.db2.gz DCVKFGPTWZBTNB-UHFFFAOYSA-N -1 3 393.256 3.185 20 0 GGADHM O=S(=O)(C[C@H]1CCC(F)(F)C1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000631975993 566837752 /nfs/dbraw/zinc/83/77/52/566837752.db2.gz RWBSNVAYQBCKKX-JTQLQIEISA-N -1 3 391.827 3.245 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CC[C@@H](C)C2)cc1 ZINC000428394391 566838045 /nfs/dbraw/zinc/83/80/45/566838045.db2.gz UPTYEAGUXPZKAI-ZBFHGGJFSA-N -1 3 388.555 3.038 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C1CCCCC1 ZINC000610510815 566838257 /nfs/dbraw/zinc/83/82/57/566838257.db2.gz IEYPACFFCNYEBY-LBPRGKRZSA-N -1 3 375.512 3.181 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)cc1Cl ZINC000451553636 566838143 /nfs/dbraw/zinc/83/81/43/566838143.db2.gz YGCAUFWZDRIKSV-CYBMUJFWSA-N -1 3 378.281 3.401 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c(Cl)c1Cl ZINC000451552601 566838249 /nfs/dbraw/zinc/83/82/49/566838249.db2.gz WOHNVGNPSUHIOG-ZDUSSCGKSA-N -1 3 378.281 3.401 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cscc2Br)n1 ZINC000631981031 566838358 /nfs/dbraw/zinc/83/83/58/566838358.db2.gz TXXRBWUHJJWOBG-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ncc[nH]1 ZINC000451550048 566838371 /nfs/dbraw/zinc/83/83/71/566838371.db2.gz QPVYUHQCPJYAIW-LBPRGKRZSA-N -1 3 394.241 3.126 20 0 GGADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428403442 566839090 /nfs/dbraw/zinc/83/90/90/566839090.db2.gz OXKDTMFQHRWVBS-UHFFFAOYSA-N -1 3 384.723 3.322 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000582191477 566838718 /nfs/dbraw/zinc/83/87/18/566838718.db2.gz YTGYICOSRRKLOF-ZDUSSCGKSA-N -1 3 388.265 3.452 20 0 GGADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1 ZINC000610511139 566838929 /nfs/dbraw/zinc/83/89/29/566838929.db2.gz JHMSRMXAOIIZDI-MRVWCRGKSA-N -1 3 390.596 3.288 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)cc1Cl ZINC000428398088 566839282 /nfs/dbraw/zinc/83/92/82/566839282.db2.gz DXBLMSBDTMCSOQ-JTQLQIEISA-N -1 3 388.272 3.153 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)c(Cl)c1Cl ZINC000428406920 566839433 /nfs/dbraw/zinc/83/94/33/566839433.db2.gz YDLXBPSQKMICTI-JTQLQIEISA-N -1 3 388.272 3.153 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1Cl ZINC000428398787 566839674 /nfs/dbraw/zinc/83/96/74/566839674.db2.gz IRDVGLNOUFTANW-RHSMWYFYSA-N -1 3 387.835 3.063 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1Cl ZINC000428398791 566839876 /nfs/dbraw/zinc/83/98/76/566839876.db2.gz IRDVGLNOUFTANW-YOEHRIQHSA-N -1 3 387.835 3.063 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)OCCc2sccc21 ZINC000451564065 566839930 /nfs/dbraw/zinc/83/99/30/566839930.db2.gz FPOPBXITUQDAMF-MRXNPFEDSA-N -1 3 389.901 3.448 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1 ZINC000582204585 566840273 /nfs/dbraw/zinc/84/02/73/566840273.db2.gz CFKSPPNUTAFYTB-QHCPKHFHSA-N -1 3 387.910 3.166 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)ccc3cccnc32)cs1 ZINC000679195395 566840547 /nfs/dbraw/zinc/84/05/47/566840547.db2.gz LVUVHKIBPFANJN-LBPRGKRZSA-N -1 3 377.491 3.186 20 0 GGADHM C[C@@H](CNC(=O)c1cccc(Br)c1[O-])N(C)Cc1ccccc1 ZINC000517713223 566842216 /nfs/dbraw/zinc/84/22/16/566842216.db2.gz ONZZCKCCSJHZFJ-ZDUSSCGKSA-N -1 3 377.282 3.405 20 0 GGADHM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1=O ZINC000490319239 566842288 /nfs/dbraw/zinc/84/22/88/566842288.db2.gz NGCHLHXKCCNGJS-UHFFFAOYSA-N -1 3 397.283 3.324 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000610550239 566842318 /nfs/dbraw/zinc/84/23/18/566842318.db2.gz HSUSGDNIQKFAQX-OSAQELSMSA-N -1 3 390.596 3.288 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(C)cc2Cl)nc1C ZINC000610549651 566842422 /nfs/dbraw/zinc/84/24/22/566842422.db2.gz FOZBYCIWHAPSRA-UHFFFAOYSA-N -1 3 388.898 3.069 20 0 GGADHM CCOc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000428432255 566842725 /nfs/dbraw/zinc/84/27/25/566842725.db2.gz PCRUICBZQXXIRB-UHFFFAOYSA-N -1 3 380.242 3.141 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)OCCc2sccc21 ZINC000451575132 566842969 /nfs/dbraw/zinc/84/29/69/566842969.db2.gz XCPXSSJAESZLKU-IUODEOHRSA-N -1 3 379.494 3.281 20 0 GGADHM Cc1noc(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc2)n1 ZINC000428426015 566843103 /nfs/dbraw/zinc/84/31/03/566843103.db2.gz WRKVXAHWFLZCGU-LBPRGKRZSA-N -1 3 383.882 3.355 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000428423733 566843131 /nfs/dbraw/zinc/84/31/31/566843131.db2.gz PWFWSSVASCPNSD-WMLDXEAASA-N -1 3 387.835 3.063 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c1 ZINC000542967687 566843870 /nfs/dbraw/zinc/84/38/70/566843870.db2.gz PZGXOSUIKMYMFG-HNNXBMFYSA-N -1 3 381.450 3.128 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(F)cc1Cl ZINC000451588560 566844778 /nfs/dbraw/zinc/84/47/78/566844778.db2.gz QSULOQIDZSTMNB-SSDOTTSWSA-N -1 3 385.770 3.271 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1OC)c1nc(C(F)(F)F)cs1 ZINC000632055668 566845419 /nfs/dbraw/zinc/84/54/19/566845419.db2.gz DCZXZAVSHCNVLQ-GARJFASQSA-N -1 3 386.461 3.490 20 0 GGADHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000632069139 566846431 /nfs/dbraw/zinc/84/64/31/566846431.db2.gz NUYDMFRZKHIQKM-BDAKNGLRSA-N -1 3 393.353 3.086 20 0 GGADHM C[C@H]([N-]S(=O)(=O)CCC(C)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000632078087 566846602 /nfs/dbraw/zinc/84/66/02/566846602.db2.gz HJABKYHJBVPERW-VIFPVBQESA-N -1 3 379.816 3.416 20 0 GGADHM CO[C@@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000632087938 566848205 /nfs/dbraw/zinc/84/82/05/566848205.db2.gz KXLRBVPTACBIRC-HUUCEWRRSA-N -1 3 384.885 3.290 20 0 GGADHM COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632088921 566848272 /nfs/dbraw/zinc/84/82/72/566848272.db2.gz NXCARZGJDDIBLE-UHFFFAOYSA-N -1 3 375.393 3.029 20 0 GGADHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000563055853 566848364 /nfs/dbraw/zinc/84/83/64/566848364.db2.gz WNMTZYUACMYEII-IINYFYTJSA-N -1 3 396.734 3.073 20 0 GGADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543070070 566848363 /nfs/dbraw/zinc/84/83/63/566848363.db2.gz WTWUQRJAJNEDMU-MWLCHTKSSA-N -1 3 384.723 3.178 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-]C2(CF)CCC2)cc1Cl ZINC000563055294 566848626 /nfs/dbraw/zinc/84/86/26/566848626.db2.gz TXEIIVWOUAQFOZ-UHFFFAOYSA-N -1 3 386.670 3.282 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CCOCC1 ZINC000543071111 566848608 /nfs/dbraw/zinc/84/86/08/566848608.db2.gz UUOVVISFQRWKBU-GFCCVEGCSA-N -1 3 380.279 3.072 20 0 GGADHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000490424766 566848786 /nfs/dbraw/zinc/84/87/86/566848786.db2.gz DESNRNHBMWNMSC-UHFFFAOYSA-N -1 3 398.307 3.241 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1ccc(Br)s1 ZINC000543069035 566848799 /nfs/dbraw/zinc/84/87/99/566848799.db2.gz YHHZLLQKCWXBNV-UHFFFAOYSA-N -1 3 398.307 3.379 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(C2CCSCC2)no1 ZINC000582294760 566849155 /nfs/dbraw/zinc/84/91/55/566849155.db2.gz GQBATWTWJPHACZ-SNVBAGLBSA-N -1 3 387.914 3.373 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CN1C1CC1 ZINC000543067522 566849205 /nfs/dbraw/zinc/84/92/05/566849205.db2.gz QXSPIQRZXVAFKY-GXSJLCMTSA-N -1 3 393.734 3.006 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2C)o1 ZINC000632099712 566850426 /nfs/dbraw/zinc/85/04/26/566850426.db2.gz YXKYZMILQMTBDU-SSDOTTSWSA-N -1 3 394.678 3.142 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cscc1Br ZINC000632119668 566851418 /nfs/dbraw/zinc/85/14/18/566851418.db2.gz ZUXLAWYXCQXMPL-SNVBAGLBSA-N -1 3 380.329 3.281 20 0 GGADHM COc1ccc(CN[C@H]2CCc3ccccc3NC2=O)c(Br)c1[O-] ZINC000655811824 566852067 /nfs/dbraw/zinc/85/20/67/566852067.db2.gz KILCHGQAEBQVTG-AWEZNQCLSA-N -1 3 391.265 3.206 20 0 GGADHM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H](N2CCCC2)C1 ZINC000582331045 566853386 /nfs/dbraw/zinc/85/33/86/566853386.db2.gz XMSHVCDXMPVOTB-LBPRGKRZSA-N -1 3 390.281 3.013 20 0 GGADHM O=c1cc(CN2CCOc3ccc(Br)cc3C2)nc(C2CC2)[n-]1 ZINC000563105866 566854242 /nfs/dbraw/zinc/85/42/42/566854242.db2.gz BTTUPQVUJDVZBU-UHFFFAOYSA-N -1 3 376.254 3.217 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)cc1OC ZINC000451641501 566854729 /nfs/dbraw/zinc/85/47/29/566854729.db2.gz NOWZQYBXMPYUDV-JTQLQIEISA-N -1 3 383.844 3.461 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCN(C)c2ccccc2)cc1Cl ZINC000517962283 566855698 /nfs/dbraw/zinc/85/56/98/566855698.db2.gz RPCFWEHWEYVIBQ-UHFFFAOYSA-N -1 3 389.304 3.417 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H]1c1ccccc1 ZINC000582389540 566856018 /nfs/dbraw/zinc/85/60/18/566856018.db2.gz QKFGXGOXGSJWHK-MRXNPFEDSA-N -1 3 399.299 3.245 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCC[C@@H](C)C2)cc1Cl ZINC000517963525 566856504 /nfs/dbraw/zinc/85/65/04/566856504.db2.gz IWBDEJZHILEUCD-LLVKDONJSA-N -1 3 381.325 3.012 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@H]1c1ccccc1 ZINC000582389539 566856663 /nfs/dbraw/zinc/85/66/63/566856663.db2.gz QKFGXGOXGSJWHK-INIZCTEOSA-N -1 3 399.299 3.245 20 0 GGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000451656053 566857410 /nfs/dbraw/zinc/85/74/10/566857410.db2.gz SFNNEZJTHGHRMO-SSDOTTSWSA-N -1 3 396.250 3.146 20 0 GGADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000451654590 566857966 /nfs/dbraw/zinc/85/79/66/566857966.db2.gz OZYMFGRQEGZFMC-VIFPVBQESA-N -1 3 379.322 3.341 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(C)c2F)sc1Br ZINC000451663434 566858880 /nfs/dbraw/zinc/85/88/80/566858880.db2.gz MDCRIONVCZHCAH-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(Br)cc1 ZINC000470243435 566859912 /nfs/dbraw/zinc/85/99/12/566859912.db2.gz ZJFVUYSFAGFFSN-UHFFFAOYSA-N -1 3 397.229 3.174 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000543171292 566859893 /nfs/dbraw/zinc/85/98/93/566859893.db2.gz YGJHSNRAOWDREK-OAHLLOKOSA-N -1 3 378.416 3.435 20 0 GGADHM O=S(=O)([N-]C1(Cc2ccccc2Br)CC1)c1cncc(F)c1 ZINC000490517597 566860008 /nfs/dbraw/zinc/86/00/08/566860008.db2.gz SCRIEHLCQQHGEU-UHFFFAOYSA-N -1 3 385.258 3.037 20 0 GGADHM CCOC(=O)[C@@H](CC)N(Cc1ccc(OC)c([O-])c1Br)C1CC1 ZINC000470262377 566860014 /nfs/dbraw/zinc/86/00/14/566860014.db2.gz DZJSWFFTGIWDNL-CYBMUJFWSA-N -1 3 386.286 3.469 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000582414076 566860182 /nfs/dbraw/zinc/86/01/82/566860182.db2.gz MGKDVSKTZGRVFS-UHFFFAOYSA-N -1 3 380.413 3.406 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000451667698 566861015 /nfs/dbraw/zinc/86/10/15/566861015.db2.gz XZQBYXLYVWHBSZ-GFCCVEGCSA-N -1 3 390.324 3.047 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccccc2Br)o1 ZINC000490525011 566861340 /nfs/dbraw/zinc/86/13/40/566861340.db2.gz XEAUGVNWNCFVMC-UHFFFAOYSA-N -1 3 387.299 3.318 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cscc2Br)n1 ZINC000632206268 566862241 /nfs/dbraw/zinc/86/22/41/566862241.db2.gz GIEOMXXAZQTQQJ-SSDOTTSWSA-N -1 3 381.342 3.358 20 0 GGADHM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000451682816 566862382 /nfs/dbraw/zinc/86/23/82/566862382.db2.gz BAALSTFZQATZDN-UHFFFAOYSA-N -1 3 375.918 3.206 20 0 GGADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000490540477 566862650 /nfs/dbraw/zinc/86/26/50/566862650.db2.gz WZEGWUBNOWWBNX-UHFFFAOYSA-N -1 3 398.344 3.219 20 0 GGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000679578943 566864385 /nfs/dbraw/zinc/86/43/85/566864385.db2.gz AGOILSPBIVUNCJ-ONGXEEELSA-N -1 3 382.379 3.000 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2cnc(C(C)=O)s2)nc1C(F)(F)F ZINC000563220465 566864628 /nfs/dbraw/zinc/86/46/28/566864628.db2.gz OOIAXPALYLAZJP-UHFFFAOYSA-N -1 3 393.368 3.250 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543246073 566864998 /nfs/dbraw/zinc/86/49/98/566864998.db2.gz IURMVKUEVZACDK-KOLCDFICSA-N -1 3 382.707 3.338 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC(CSC)CC1 ZINC000451705286 566865189 /nfs/dbraw/zinc/86/51/89/566865189.db2.gz IHVNOPZFLMXVMN-UHFFFAOYSA-N -1 3 391.942 3.327 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1cccc(Br)c1F ZINC000543244136 566865929 /nfs/dbraw/zinc/86/59/29/566865929.db2.gz SRUAWRKBYLTEBM-UHFFFAOYSA-N -1 3 386.242 3.002 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000543252172 566866497 /nfs/dbraw/zinc/86/64/97/566866497.db2.gz AUIDOZSPFAGQGT-GJZGRUSLSA-N -1 3 380.293 3.238 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@H](O)CCc1ccccc1 ZINC000543246188 566866851 /nfs/dbraw/zinc/86/68/51/566866851.db2.gz OFFQMKSZZJBOMJ-CQSZACIVSA-N -1 3 388.316 3.407 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO[C@H]1C1CC1 ZINC000543246970 566867073 /nfs/dbraw/zinc/86/70/73/566867073.db2.gz QVKBFKRUYAOVMQ-UONOGXRCSA-N -1 3 394.718 3.338 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1CC(F)(F)C1 ZINC000679637913 566866969 /nfs/dbraw/zinc/86/69/69/566866969.db2.gz LHFROUYMFBETTO-UHFFFAOYSA-N -1 3 386.807 3.232 20 0 GGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Br)ccc1-n1cncn1 ZINC000563225064 566867014 /nfs/dbraw/zinc/86/70/14/566867014.db2.gz OARULVDOHPUKQV-LBPRGKRZSA-N -1 3 387.303 3.350 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000543252174 566867721 /nfs/dbraw/zinc/86/77/21/566867721.db2.gz AUIDOZSPFAGQGT-LSDHHAIUSA-N -1 3 380.293 3.238 20 0 GGADHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451720329 566869161 /nfs/dbraw/zinc/86/91/61/566869161.db2.gz LWZUGIBTYAYPBO-ZDUSSCGKSA-N -1 3 375.918 3.348 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN(CC(=O)[O-])C1CCC1 ZINC000656101717 566870068 /nfs/dbraw/zinc/87/00/68/566870068.db2.gz RXAXWYWESZFAGW-UHFFFAOYSA-N -1 3 378.270 3.382 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCN(c2ccccc2F)C1 ZINC000582518222 566870099 /nfs/dbraw/zinc/87/00/99/566870099.db2.gz LTHIYOMUMOMVLY-ZDUSSCGKSA-N -1 3 393.256 3.437 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2sc3ccc(OC)cc3c2C)s1 ZINC000610871503 566870808 /nfs/dbraw/zinc/87/08/08/566870808.db2.gz BJXTVRUXCGVNLQ-UHFFFAOYSA-N -1 3 377.447 3.499 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1cncc(F)c1 ZINC000679760089 566871034 /nfs/dbraw/zinc/87/10/34/566871034.db2.gz MXXXVGWEJXLTJV-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](CCO)c2cccc(C(F)(F)F)c2)s1 ZINC000451728376 566871115 /nfs/dbraw/zinc/87/11/15/566871115.db2.gz GBOSMSQJTVLDLA-GFCCVEGCSA-N -1 3 394.440 3.126 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(Cl)ccc2OC(F)F)s1 ZINC000610871577 566871150 /nfs/dbraw/zinc/87/11/50/566871150.db2.gz DPYVEANNMMVWCD-UHFFFAOYSA-N -1 3 377.756 3.222 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cccc(Br)c1)c1ccc(C)o1 ZINC000518233977 566871376 /nfs/dbraw/zinc/87/13/76/566871376.db2.gz LJWUGXVDBDHUKT-CQSZACIVSA-N -1 3 388.283 3.158 20 0 GGADHM CC[C@@]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)(C(N)=O)C(C)C ZINC000679761525 566871637 /nfs/dbraw/zinc/87/16/37/566871637.db2.gz WDCRQZCLJGSIAE-HNNXBMFYSA-N -1 3 381.325 3.179 20 0 GGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccc(Cl)cc1 ZINC000632314720 566873742 /nfs/dbraw/zinc/87/37/42/566873742.db2.gz GRKXPLQMMCBVFA-GFCCVEGCSA-N -1 3 378.828 3.452 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cscc1Br ZINC000632309128 566874110 /nfs/dbraw/zinc/87/41/10/566874110.db2.gz WMWSEZHWHLNJBG-GFCCVEGCSA-N -1 3 380.329 3.138 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1cscc1Br ZINC000632309129 566874127 /nfs/dbraw/zinc/87/41/27/566874127.db2.gz WMWSEZHWHLNJBG-LBPRGKRZSA-N -1 3 380.329 3.138 20 0 GGADHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccc(Cl)cc1 ZINC000632314729 566874583 /nfs/dbraw/zinc/87/45/83/566874583.db2.gz GRKXPLQMMCBVFA-LBPRGKRZSA-N -1 3 378.828 3.452 20 0 GGADHM COC(=O)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c(Br)c1 ZINC000563307228 566875112 /nfs/dbraw/zinc/87/51/12/566875112.db2.gz QNNUDOVGIBTYDY-UHFFFAOYSA-N -1 3 379.210 3.188 20 0 GGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000632330541 566875279 /nfs/dbraw/zinc/87/52/79/566875279.db2.gz RFWDOEFBVMUSIW-VXGBXAGGSA-N -1 3 392.424 3.482 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543393154 566876701 /nfs/dbraw/zinc/87/67/01/566876701.db2.gz XOINLLQHOQELGQ-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)c2ccccc21 ZINC000543395497 566876815 /nfs/dbraw/zinc/87/68/15/566876815.db2.gz ZYMDNSFEIDFUCW-LBPRGKRZSA-N -1 3 384.226 3.194 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1cccc(Br)c1F ZINC000543394741 566876916 /nfs/dbraw/zinc/87/69/16/566876916.db2.gz NIXKENJJUBKAAY-UHFFFAOYSA-N -1 3 394.306 3.199 20 0 GGADHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000451761262 566877314 /nfs/dbraw/zinc/87/73/14/566877314.db2.gz HGAKDFFDWUMZEB-GFCCVEGCSA-N -1 3 375.918 3.347 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCO[C@H]1C1CC1 ZINC000543394583 566877548 /nfs/dbraw/zinc/87/75/48/566877548.db2.gz WGESLAGRTKMEDK-LSDHHAIUSA-N -1 3 392.290 3.072 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCCOC1 ZINC000543393915 566877629 /nfs/dbraw/zinc/87/76/29/566877629.db2.gz AXZGLRHWCMCMTH-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1F ZINC000518349047 566878903 /nfs/dbraw/zinc/87/89/03/566878903.db2.gz OLGCNKGOXCNTHP-HNNXBMFYSA-N -1 3 382.888 3.280 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(=O)OC ZINC000490780588 566879201 /nfs/dbraw/zinc/87/92/01/566879201.db2.gz CTASNXSRCHPWGK-KRWDZBQOSA-N -1 3 389.901 3.139 20 0 GGADHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)s1 ZINC000518357922 566879580 /nfs/dbraw/zinc/87/95/80/566879580.db2.gz UPXZYNFALKITHD-UHFFFAOYSA-N -1 3 376.906 3.226 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000451785080 566880243 /nfs/dbraw/zinc/88/02/43/566880243.db2.gz HOMSTWQKMJRSTR-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CN(Cc1ccc(F)cc1Br)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563388517 566880357 /nfs/dbraw/zinc/88/03/57/566880357.db2.gz KTLAKFANNJBKEG-UHFFFAOYSA-N -1 3 380.217 3.233 20 0 GGADHM Cc1ccc(-c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)c(Br)c1 ZINC000582631087 566880690 /nfs/dbraw/zinc/88/06/90/566880690.db2.gz LTDXOZKHQYDTKV-UHFFFAOYSA-N -1 3 376.214 3.036 20 0 GGADHM Cc1nocc1C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000632397976 566880780 /nfs/dbraw/zinc/88/07/80/566880780.db2.gz VBZQGXDWEYXTOG-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM Cc1nocc1C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000632397785 566881170 /nfs/dbraw/zinc/88/11/70/566881170.db2.gz MHRDOFWKVNQBMS-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000451782737 566881081 /nfs/dbraw/zinc/88/10/81/566881081.db2.gz LCKZGAFWTXTPIK-UHFFFAOYSA-N -1 3 379.309 3.063 20 0 GGADHM Cc1cc2cc(C(=O)[N-]c3nn4cnnc4s3)oc2c(Br)c1 ZINC000679916467 566881289 /nfs/dbraw/zinc/88/12/89/566881289.db2.gz VDONPPGMJJBCBD-UHFFFAOYSA-N -1 3 378.211 3.255 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000563413101 566881336 /nfs/dbraw/zinc/88/13/36/566881336.db2.gz LZHWQOGSVXRWSS-AWEZNQCLSA-N -1 3 375.266 3.183 20 0 GGADHM O=C(Cc1cncc([O-])c1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000563412906 566881445 /nfs/dbraw/zinc/88/14/45/566881445.db2.gz RYCYAAJPUYBNNY-UHFFFAOYSA-N -1 3 375.266 3.330 20 0 GGADHM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)[nH]n1 ZINC000632396033 566881457 /nfs/dbraw/zinc/88/14/57/566881457.db2.gz ZYEJRRQQGMDZQX-SECBINFHSA-N -1 3 392.706 3.044 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(C)(C)C ZINC000451788816 566881831 /nfs/dbraw/zinc/88/18/31/566881831.db2.gz ZTFSRHVNGUMTIL-CQSZACIVSA-N -1 3 390.933 3.201 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000451791389 566881879 /nfs/dbraw/zinc/88/18/79/566881879.db2.gz XRCBCSCTYDSZHV-UHFFFAOYSA-N -1 3 384.376 3.010 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCCC(C)=O ZINC000632415488 566882978 /nfs/dbraw/zinc/88/29/78/566882978.db2.gz GTJBOOVMLNDTOU-UHFFFAOYSA-N -1 3 396.278 3.025 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cscc1Br ZINC000632409652 566883060 /nfs/dbraw/zinc/88/30/60/566883060.db2.gz FAERQGVOFSAQHN-UHFFFAOYSA-N -1 3 375.313 3.125 20 0 GGADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000451806664 566883647 /nfs/dbraw/zinc/88/36/47/566883647.db2.gz FFFLZBCQEMDPJE-UHFFFAOYSA-N -1 3 376.375 3.459 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000611026421 566883827 /nfs/dbraw/zinc/88/38/27/566883827.db2.gz PARVDKPTPJOOQR-SECBINFHSA-N -1 3 375.418 3.154 20 0 GGADHM CC[C@](C)(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)OC ZINC000451797395 566884565 /nfs/dbraw/zinc/88/45/65/566884565.db2.gz PMUGWPXLHNVULW-CYBMUJFWSA-N -1 3 384.723 3.337 20 0 GGADHM C[C@@H](CCC1CC1)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000470573087 566884018 /nfs/dbraw/zinc/88/40/18/566884018.db2.gz GOSCCXOTSYNIBK-NSHDSACASA-N -1 3 393.336 3.357 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)s1 ZINC000632438767 566884165 /nfs/dbraw/zinc/88/41/65/566884165.db2.gz YSUIZRHAHJDWLF-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM CC[C@@](C)(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)OC ZINC000451797396 566884877 /nfs/dbraw/zinc/88/48/77/566884877.db2.gz PMUGWPXLHNVULW-ZDUSSCGKSA-N -1 3 384.723 3.337 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490953920 566885574 /nfs/dbraw/zinc/88/55/74/566885574.db2.gz JDDSWUSLIKXNNL-ZETCQYMHSA-N -1 3 380.178 3.156 20 0 GGADHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470601638 566885735 /nfs/dbraw/zinc/88/57/35/566885735.db2.gz QFHSZNLIUPUFDD-UHFFFAOYSA-N -1 3 386.901 3.322 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCc2ncccc2C)s1 ZINC000451810591 566885663 /nfs/dbraw/zinc/88/56/63/566885663.db2.gz PRKCABYEARODOS-UHFFFAOYSA-N -1 3 389.340 3.434 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCc2ncccc2C)c1 ZINC000451814923 566886438 /nfs/dbraw/zinc/88/64/38/566886438.db2.gz YMVQXFCGGUGPIA-UHFFFAOYSA-N -1 3 399.310 3.072 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(N(C)C)c1 ZINC000518474464 566886433 /nfs/dbraw/zinc/88/64/33/566886433.db2.gz BBCIFTMQPJKQBN-UHFFFAOYSA-N -1 3 382.869 3.135 20 0 GGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000518467605 566886463 /nfs/dbraw/zinc/88/64/63/566886463.db2.gz FBPGOZWNGOQXCP-UHFFFAOYSA-N -1 3 392.706 3.358 20 0 GGADHM C[C@@H](CC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)cc1 ZINC000490941731 566886468 /nfs/dbraw/zinc/88/64/68/566886468.db2.gz JMRLALUDQDVUHN-VIFPVBQESA-N -1 3 388.212 3.338 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(Cl)cc(Br)c2)cc1OC(F)F ZINC000490918898 566886704 /nfs/dbraw/zinc/88/67/04/566886704.db2.gz KXKYWUARCLOLLG-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)n1 ZINC000632465155 566886691 /nfs/dbraw/zinc/88/66/91/566886691.db2.gz IZZFTKNASFQNLL-VIFPVBQESA-N -1 3 387.914 3.357 20 0 GGADHM Cn1[n-]c(=NC(=O)CCOc2cccc(Cl)c2Cl)cc1OC(F)F ZINC000490931953 566886724 /nfs/dbraw/zinc/88/67/24/566886724.db2.gz AFPZTYOGGZTWFH-UHFFFAOYSA-N -1 3 380.178 3.158 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451819612 566887243 /nfs/dbraw/zinc/88/72/43/566887243.db2.gz BBCUEDIECWYTPP-NEPJUHHUSA-N -1 3 397.871 3.467 20 0 GGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000582717967 566887228 /nfs/dbraw/zinc/88/72/28/566887228.db2.gz KVIAVFJYHJAEFX-UHFFFAOYSA-N -1 3 385.438 3.231 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cc(F)c(F)c(F)c1 ZINC000470611758 566887529 /nfs/dbraw/zinc/88/75/29/566887529.db2.gz JQRFVMUMYGGHED-UHFFFAOYSA-N -1 3 385.392 3.101 20 0 GGADHM Cn1[n-]c(=NC(=O)C2(c3c(Cl)cccc3Cl)CC2)cc1OC(F)F ZINC000490956584 566887833 /nfs/dbraw/zinc/88/78/33/566887833.db2.gz TYLXFSLQHJRFPX-UHFFFAOYSA-N -1 3 376.190 3.421 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490971557 566888113 /nfs/dbraw/zinc/88/81/13/566888113.db2.gz LFQLEBBEYSTFLO-VIFPVBQESA-N -1 3 388.212 3.023 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000632465828 566888311 /nfs/dbraw/zinc/88/83/11/566888311.db2.gz KMWFESIYEIBVHZ-QMMMGPOBSA-N -1 3 380.413 3.486 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1OC(F)F ZINC000490956940 566888307 /nfs/dbraw/zinc/88/83/07/566888307.db2.gz UZAYARQWAZOKGF-QWRGUYRKSA-N -1 3 376.190 3.492 20 0 GGADHM Cn1[n-]c(=NC(=O)CCCc2ccc(Br)s2)cc1OC(F)F ZINC000490986777 566888595 /nfs/dbraw/zinc/88/85/95/566888595.db2.gz IKAHCKDKWNEYJY-UHFFFAOYSA-N -1 3 394.241 3.229 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]C[C@](C)(OC)c1ccccc1 ZINC000451823747 566888718 /nfs/dbraw/zinc/88/87/18/566888718.db2.gz KNYLRELORALUFG-SFHVURJKSA-N -1 3 383.897 3.330 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1nc(C(F)(F)F)no1 ZINC000632479360 566888854 /nfs/dbraw/zinc/88/88/54/566888854.db2.gz BSVXMRMMMBBLPH-ZCFIWIBFSA-N -1 3 387.742 3.062 20 0 GGADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)n1 ZINC000632465561 566888884 /nfs/dbraw/zinc/88/88/84/566888884.db2.gz GSCZWMCYMPXMGK-VIFPVBQESA-N -1 3 390.914 3.416 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451828712 566888881 /nfs/dbraw/zinc/88/88/81/566888881.db2.gz WYEKDVJFNQUDRF-LBPRGKRZSA-N -1 3 397.871 3.469 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(C(F)(F)F)no1 ZINC000632479583 566889003 /nfs/dbraw/zinc/88/90/03/566889003.db2.gz DWXFCEYWFGNMPW-VIFPVBQESA-N -1 3 375.372 3.007 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(C(F)(F)F)no1 ZINC000632479582 566889010 /nfs/dbraw/zinc/88/90/10/566889010.db2.gz DWXFCEYWFGNMPW-SECBINFHSA-N -1 3 375.372 3.007 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451822380 566889108 /nfs/dbraw/zinc/88/91/08/566889108.db2.gz KCJZZHRUVASPLN-SNVBAGLBSA-N -1 3 396.843 3.021 20 0 GGADHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1sccc1Br ZINC000470614642 566889240 /nfs/dbraw/zinc/88/92/40/566889240.db2.gz VWQVFGWZJGARLN-UTUOFQBUSA-N -1 3 395.388 3.155 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451823119 566889333 /nfs/dbraw/zinc/88/93/33/566889333.db2.gz MDFSXAPVUALKOA-SECBINFHSA-N -1 3 384.242 3.171 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCC[C@H](F)C1 ZINC000518538808 566889982 /nfs/dbraw/zinc/88/99/82/566889982.db2.gz QYNAISNHVKQMGO-WDEREUQCSA-N -1 3 397.299 3.059 20 0 GGADHM COc1cccc(OCCN(CC(=O)[O-])Cc2cccc(Br)c2)c1 ZINC000518548521 566890274 /nfs/dbraw/zinc/89/02/74/566890274.db2.gz CZUOOPKCLWXCNK-UHFFFAOYSA-N -1 3 394.265 3.423 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000632480390 566890462 /nfs/dbraw/zinc/89/04/62/566890462.db2.gz RKGXVLQAPVNMER-ZCFIWIBFSA-N -1 3 389.277 3.147 20 0 GGADHM CCCCS(=O)(=O)[N-]CC(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC000470631815 566890431 /nfs/dbraw/zinc/89/04/31/566890431.db2.gz JLMNNUZKHMDYFQ-UHFFFAOYSA-N -1 3 381.523 3.085 20 0 GGADHM Cn1[n-]c(=NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000491029808 566890753 /nfs/dbraw/zinc/89/07/53/566890753.db2.gz ALTYXQBDARNYJZ-UHFFFAOYSA-N -1 3 380.178 3.158 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1cccs1 ZINC000611117015 566891172 /nfs/dbraw/zinc/89/11/72/566891172.db2.gz GVYWQTBTHBAORY-GFCCVEGCSA-N -1 3 377.846 3.123 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCSCC(C)C)s1 ZINC000611118334 566891491 /nfs/dbraw/zinc/89/14/91/566891491.db2.gz OSBQSOUBHSACKH-LBPRGKRZSA-N -1 3 378.585 3.003 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)s1 ZINC000680095855 566891959 /nfs/dbraw/zinc/89/19/59/566891959.db2.gz ZXSLSQMBHFSRTF-SNVBAGLBSA-N -1 3 380.482 3.192 20 0 GGADHM C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nccs1 ZINC000543594697 566892259 /nfs/dbraw/zinc/89/22/59/566892259.db2.gz KLENCRYBTHJDDR-SECBINFHSA-N -1 3 392.278 3.281 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)cc1F ZINC000543619423 566892329 /nfs/dbraw/zinc/89/23/29/566892329.db2.gz FYGYYARXQGXTEP-ZDUSSCGKSA-N -1 3 379.787 3.078 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)cc1F ZINC000543619422 566892623 /nfs/dbraw/zinc/89/26/23/566892623.db2.gz FYGYYARXQGXTEP-CYBMUJFWSA-N -1 3 379.787 3.078 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C2CC2)c(Cl)c1Cl ZINC000680109127 566893530 /nfs/dbraw/zinc/89/35/30/566893530.db2.gz UKHKUMTZXUJNKB-HUUCEWRRSA-N -1 3 380.293 3.238 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)s1 ZINC000680108581 566893857 /nfs/dbraw/zinc/89/38/57/566893857.db2.gz ARUFZSISBCXGPU-YPMHNXCESA-N -1 3 380.329 3.055 20 0 GGADHM O=S(=O)([N-]CCNC/C=C/c1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000543634071 566894957 /nfs/dbraw/zinc/89/49/57/566894957.db2.gz FIIJWDGOBMNIFR-OWOJBTEDSA-N -1 3 392.880 3.261 20 0 GGADHM O=C([O-])[C@H]1C[C@H](NCc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000582797125 566895582 /nfs/dbraw/zinc/89/55/82/566895582.db2.gz NAQWAFWHFZKWQU-YGUOUDRMSA-N -1 3 391.265 3.376 20 0 GGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000543624499 566895607 /nfs/dbraw/zinc/89/56/07/566895607.db2.gz QJIHQFCMJVDOFI-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1Cl ZINC000451857022 566895654 /nfs/dbraw/zinc/89/56/54/566895654.db2.gz QFPKNWCQXDGACE-MEDUHNTESA-N -1 3 394.320 3.077 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cc1 ZINC000582808888 566897053 /nfs/dbraw/zinc/89/70/53/566897053.db2.gz ZUGLSQDSQGNYCQ-UHFFFAOYSA-N -1 3 391.873 3.464 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cn1 ZINC000543657585 566897258 /nfs/dbraw/zinc/89/72/58/566897258.db2.gz JDJAEUYAPCFTEN-UHFFFAOYSA-N -1 3 375.219 3.183 20 0 GGADHM C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1=CCN(C)CC1 ZINC000543651698 566897447 /nfs/dbraw/zinc/89/74/47/566897447.db2.gz FBWJPKZGQXSBGP-LLVKDONJSA-N -1 3 377.901 3.052 20 0 GGADHM Cc1c2cc(Br)ccc2oc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000680223753 566897959 /nfs/dbraw/zinc/89/79/59/566897959.db2.gz RPESUCBSZWAIEN-UHFFFAOYSA-N -1 3 388.221 3.198 20 0 GGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543674891 566900436 /nfs/dbraw/zinc/90/04/36/566900436.db2.gz MBXRYTMFDQFDBO-JTQLQIEISA-N -1 3 394.356 3.194 20 0 GGADHM Cn1cnc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CCCCC2)c1 ZINC000470755043 566901447 /nfs/dbraw/zinc/90/14/47/566901447.db2.gz LNPHSISDVMYQEJ-UHFFFAOYSA-N -1 3 398.326 3.321 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2cnc(C)s2)c1 ZINC000632650836 566901750 /nfs/dbraw/zinc/90/17/50/566901750.db2.gz KARVNKUUUMLAFD-MRVPVSSYSA-N -1 3 391.312 3.262 20 0 GGADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1cnn(CC(F)F)c1 ZINC000491293070 566902110 /nfs/dbraw/zinc/90/21/10/566902110.db2.gz CARBRYMMCCGHND-GFCCVEGCSA-N -1 3 383.342 3.120 20 0 GGADHM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000632651739 566902342 /nfs/dbraw/zinc/90/23/42/566902342.db2.gz YTVLUNZGAXQLBL-ZETCQYMHSA-N -1 3 379.276 3.393 20 0 GGADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1cnn(CC(F)F)c1 ZINC000491293071 566902783 /nfs/dbraw/zinc/90/27/83/566902783.db2.gz CARBRYMMCCGHND-LBPRGKRZSA-N -1 3 383.342 3.120 20 0 GGADHM Cc1ncc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)s1 ZINC000582902162 566903946 /nfs/dbraw/zinc/90/39/46/566903946.db2.gz AWCUQYNPXBXYQU-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)CC1CC1 ZINC000582909243 566904960 /nfs/dbraw/zinc/90/49/60/566904960.db2.gz SETIEGDNKNQHKE-NSHDSACASA-N -1 3 380.293 3.002 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000543726923 566905655 /nfs/dbraw/zinc/90/56/55/566905655.db2.gz YNCBXOCTPXXFAY-UHFFFAOYSA-N -1 3 392.246 3.019 20 0 GGADHM Cc1nc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1I ZINC000429057225 566907080 /nfs/dbraw/zinc/90/70/80/566907080.db2.gz YIFSOCRVTQDKCN-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1nc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1I ZINC000429057225 566907082 /nfs/dbraw/zinc/90/70/82/566907082.db2.gz YIFSOCRVTQDKCN-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccc(O)cc1[O-] ZINC000543744885 566907338 /nfs/dbraw/zinc/90/73/38/566907338.db2.gz YPLWZHOKJUUGCY-UHFFFAOYSA-N -1 3 392.249 3.296 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cc(F)ccc1Br ZINC000518891669 566907810 /nfs/dbraw/zinc/90/78/10/566907810.db2.gz SGBVTNJMMONONM-UHFFFAOYSA-N -1 3 399.285 3.341 20 0 GGADHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491517223 566908003 /nfs/dbraw/zinc/90/80/03/566908003.db2.gz ZIAUZFSFWIULQM-QGZVFWFLSA-N -1 3 375.918 3.204 20 0 GGADHM CCC[C@@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000611304915 566909665 /nfs/dbraw/zinc/90/96/65/566909665.db2.gz KYHNRGRWMYXEFV-SECBINFHSA-N -1 3 384.217 3.051 20 0 GGADHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491562191 566910236 /nfs/dbraw/zinc/91/02/36/566910236.db2.gz WMLCXQIHYFUNKC-DOMZBBRYSA-N -1 3 375.918 3.204 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H](C)c2nccs2)no1 ZINC000518962829 566911322 /nfs/dbraw/zinc/91/13/22/566911322.db2.gz MYZAKHUAPCQCLD-UWVGGRQHSA-N -1 3 398.897 3.371 20 0 GGADHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491584734 566911521 /nfs/dbraw/zinc/91/15/21/566911521.db2.gz WXXWAWNCQALZTC-OAHLLOKOSA-N -1 3 375.918 3.204 20 0 GGADHM C[C@]1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC=CCC1 ZINC000451929963 566911675 /nfs/dbraw/zinc/91/16/75/566911675.db2.gz TXHQKCUTSSEJME-INIZCTEOSA-N -1 3 391.320 3.134 20 0 GGADHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491592175 566911926 /nfs/dbraw/zinc/91/19/26/566911926.db2.gz RYCLGENBAFVHEH-JSGCOSHPSA-N -1 3 393.958 3.318 20 0 GGADHM COc1cc([C@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F)cc(OC)c1OC ZINC000491645264 566912542 /nfs/dbraw/zinc/91/25/42/566912542.db2.gz BVDZZWQEDFGMRJ-LBPRGKRZSA-N -1 3 375.265 3.384 20 0 GGADHM Cn1nccc1S(=O)(=O)[N-][C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000680502177 566913047 /nfs/dbraw/zinc/91/30/47/566913047.db2.gz NFHPXKZFDTVSKC-CQSZACIVSA-N -1 3 375.416 3.300 20 0 GGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cc(Br)cc2c1OCC2 ZINC000680503300 566913511 /nfs/dbraw/zinc/91/35/11/566913511.db2.gz HRUXBEJRYJYCAU-CYBMUJFWSA-N -1 3 394.290 3.002 20 0 GGADHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491611164 566913475 /nfs/dbraw/zinc/91/34/75/566913475.db2.gz XTOHTUQXMGSQRZ-ROUUACIJSA-N -1 3 387.929 3.348 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)c(C)c2)s1 ZINC000680514950 566914516 /nfs/dbraw/zinc/91/45/16/566914516.db2.gz FMFAQXNDTRFYOD-LLVKDONJSA-N -1 3 386.926 3.386 20 0 GGADHM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451964012 566914796 /nfs/dbraw/zinc/91/47/96/566914796.db2.gz JOSLPSVICHPJJG-SECBINFHSA-N -1 3 381.807 3.002 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2CCCC2)c(Br)c1 ZINC000491793820 566915691 /nfs/dbraw/zinc/91/56/91/566915691.db2.gz FWZXXOAHYPSNAW-UHFFFAOYSA-N -1 3 390.299 3.094 20 0 GGADHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000680537177 566916300 /nfs/dbraw/zinc/91/63/00/566916300.db2.gz YDIUTAKOXZZZSH-QWHCGFSZSA-N -1 3 382.309 3.083 20 0 GGADHM COCCS(=O)(=O)[N-][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451974904 566916511 /nfs/dbraw/zinc/91/65/11/566916511.db2.gz UIDBKRJOCGAGJM-MRXNPFEDSA-N -1 3 376.503 3.146 20 0 GGADHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000680537178 566916535 /nfs/dbraw/zinc/91/65/35/566916535.db2.gz YDIUTAKOXZZZSH-STQMWFEESA-N -1 3 382.309 3.083 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1C ZINC000563774982 566916664 /nfs/dbraw/zinc/91/66/64/566916664.db2.gz IBIUZYUVAUBNIX-UHFFFAOYSA-N -1 3 396.822 3.089 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1ccc(Br)cn1 ZINC000491848392 566917073 /nfs/dbraw/zinc/91/70/73/566917073.db2.gz KCDZWAXOPCYMAF-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000451966166 566917092 /nfs/dbraw/zinc/91/70/92/566917092.db2.gz DSFRBLWTRQFIFR-ISVAXAHUSA-N -1 3 382.707 3.194 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611416685 566917269 /nfs/dbraw/zinc/91/72/69/566917269.db2.gz QZCQJVSATNIFDH-UHFFFAOYSA-N -1 3 383.491 3.191 20 0 GGADHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1cc(C)oc1C ZINC000611445656 566918080 /nfs/dbraw/zinc/91/80/80/566918080.db2.gz CIEZQFVVESSNDR-UHFFFAOYSA-N -1 3 379.459 3.376 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc(Cl)cc(Cl)c2)s1 ZINC000519065612 566918058 /nfs/dbraw/zinc/91/80/58/566918058.db2.gz WNDUNTAPQDZJGG-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM CN(CCO)Cc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)ccc1Cl ZINC000632843298 566919350 /nfs/dbraw/zinc/91/93/50/566919350.db2.gz MMRXJALYXURIET-UHFFFAOYSA-N -1 3 383.275 3.304 20 0 GGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000519092465 566920171 /nfs/dbraw/zinc/92/01/71/566920171.db2.gz LENBYXVYEADUKV-GJZGRUSLSA-N -1 3 380.535 3.242 20 0 GGADHM O=C(NCCC1CC(F)(F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000519096317 566920407 /nfs/dbraw/zinc/92/04/07/566920407.db2.gz SUNUEOZEAYKNNX-UHFFFAOYSA-N -1 3 385.208 3.456 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2csc3ccccc23)c1 ZINC000543894209 566921069 /nfs/dbraw/zinc/92/10/69/566921069.db2.gz PDJHHKLQXYLHSF-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000452001294 566921208 /nfs/dbraw/zinc/92/12/08/566921208.db2.gz XTXJPOCWMGODSU-OQPBUACISA-N -1 3 382.707 3.194 20 0 GGADHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000452002011 566921880 /nfs/dbraw/zinc/92/18/80/566921880.db2.gz GTQGMGDAFCZMLC-ZETCQYMHSA-N -1 3 398.735 3.420 20 0 GGADHM C[C@@H](N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000583113176 566922056 /nfs/dbraw/zinc/92/20/56/566922056.db2.gz ZRKSWANZFSZISH-SNVBAGLBSA-N -1 3 381.325 3.165 20 0 GGADHM Cc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000519114499 566922485 /nfs/dbraw/zinc/92/24/85/566922485.db2.gz DEACJJYWRVONGZ-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2)C1CCCC1 ZINC000656615176 566922597 /nfs/dbraw/zinc/92/25/97/566922597.db2.gz AXKTUOFFGGULLR-MRXNPFEDSA-N -1 3 375.874 3.058 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cc(Br)ccc1Cl ZINC000452017387 566922904 /nfs/dbraw/zinc/92/29/04/566922904.db2.gz NFIASQZFBHZXPD-JTQLQIEISA-N -1 3 382.707 3.198 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000656613866 566923027 /nfs/dbraw/zinc/92/30/27/566923027.db2.gz BFCYPSIDBIPTNR-NOZJJQNGSA-N -1 3 387.807 3.152 20 0 GGADHM CCCCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000492148086 566924204 /nfs/dbraw/zinc/92/42/04/566924204.db2.gz RBHHPFWNFVRLSZ-UHFFFAOYSA-N -1 3 382.507 3.152 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000656620471 566924213 /nfs/dbraw/zinc/92/42/13/566924213.db2.gz DOTSVIDRUCNHPB-HNNXBMFYSA-N -1 3 392.315 3.405 20 0 GGADHM COc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)c(Br)c1[O-] ZINC000680649693 566924315 /nfs/dbraw/zinc/92/43/15/566924315.db2.gz GEJVFENBSJYYAR-CYBMUJFWSA-N -1 3 380.286 3.406 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1ccc(Br)c(Cl)c1 ZINC000452022696 566924504 /nfs/dbraw/zinc/92/45/04/566924504.db2.gz VMRURUJUXURPNS-SNVBAGLBSA-N -1 3 382.707 3.198 20 0 GGADHM CSc1cc2c(cc1[N-]S(=O)(=O)CCc1ccc(F)cc1)OCCO2 ZINC000656620690 566925039 /nfs/dbraw/zinc/92/50/39/566925039.db2.gz HIAQEIQOOJBHCM-UHFFFAOYSA-N -1 3 383.466 3.303 20 0 GGADHM COc1ccc(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(Br)c1[O-] ZINC000680650309 566925033 /nfs/dbraw/zinc/92/50/33/566925033.db2.gz LQLNBFAUYXNKGD-KCJUWKMLSA-N -1 3 384.192 3.315 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cccc(Cl)c2F)nc2cc(Cl)ccc21 ZINC000492111017 566925316 /nfs/dbraw/zinc/92/53/16/566925316.db2.gz VEABVIOVTRJQGF-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM COc1ccc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c(Br)c1[O-] ZINC000680650310 566925458 /nfs/dbraw/zinc/92/54/58/566925458.db2.gz LQLNBFAUYXNKGD-KWQFWETISA-N -1 3 384.192 3.315 20 0 GGADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1 ZINC000656625136 566926338 /nfs/dbraw/zinc/92/63/38/566926338.db2.gz WNVDPUNHULSWBQ-GFCCVEGCSA-N -1 3 381.416 3.254 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H](CO)CC1CCCC1 ZINC000543997554 566926694 /nfs/dbraw/zinc/92/66/94/566926694.db2.gz DRYMZFCNJGVEOA-CQSZACIVSA-N -1 3 385.302 3.143 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)ccc1Br ZINC000656624867 566926644 /nfs/dbraw/zinc/92/66/44/566926644.db2.gz RXHSZLROKLLBGZ-OAHLLOKOSA-N -1 3 392.315 3.405 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccon1 ZINC000543977046 566926988 /nfs/dbraw/zinc/92/69/88/566926988.db2.gz CAZSMOIGGBLYQA-ZETCQYMHSA-N -1 3 399.188 3.495 20 0 GGADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000543998979 566927877 /nfs/dbraw/zinc/92/78/77/566927877.db2.gz VRUWLRLJOMOMOX-QMMMGPOBSA-N -1 3 379.276 3.393 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000452051227 566928480 /nfs/dbraw/zinc/92/84/80/566928480.db2.gz YNBZMKCCAOILHF-HZPDHXFCSA-N -1 3 386.583 3.312 20 0 GGADHM CSc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000656634240 566928491 /nfs/dbraw/zinc/92/84/91/566928491.db2.gz XULUGRTWPJYJCY-UHFFFAOYSA-N -1 3 399.925 3.427 20 0 GGADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)cc(Cl)c1OC ZINC000656632415 566928591 /nfs/dbraw/zinc/92/85/91/566928591.db2.gz XOPDAOHUEOXHPZ-HNNXBMFYSA-N -1 3 377.890 3.304 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCc3c(Br)cc(C)cc3C2)cs1 ZINC000429402389 566929327 /nfs/dbraw/zinc/92/93/27/566929327.db2.gz CIKHPXXDMNTNEB-UHFFFAOYSA-N -1 3 380.311 3.266 20 0 GGADHM CC(C)N(CCNS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C)C(C)C ZINC000583207800 566929839 /nfs/dbraw/zinc/92/98/39/566929839.db2.gz VDASZNBZRVHGIX-UHFFFAOYSA-N -1 3 390.571 3.141 20 0 GGADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000452074188 566930159 /nfs/dbraw/zinc/93/01/59/566930159.db2.gz WHBFDKJNJBGNFL-GHMZBOCLSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000544024526 566930355 /nfs/dbraw/zinc/93/03/55/566930355.db2.gz GRKHZKKYXZKIKN-HNNXBMFYSA-N -1 3 382.247 3.106 20 0 GGADHM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc([O-])ccc1Br ZINC000429450738 566932673 /nfs/dbraw/zinc/93/26/73/566932673.db2.gz KLDYYSFXJTZUCV-UHFFFAOYSA-N -1 3 399.310 3.326 20 0 GGADHM CC(C)S(=O)(=O)CCCN(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000563965568 566933090 /nfs/dbraw/zinc/93/30/90/566933090.db2.gz BBMFIJCAGRHFMS-UHFFFAOYSA-N -1 3 396.336 3.136 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)nc2cc(Cl)ccc21 ZINC000492399693 566933422 /nfs/dbraw/zinc/93/34/22/566933422.db2.gz QEQBSLULAQIWNO-UHFFFAOYSA-N -1 3 388.251 3.498 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1cncc(Br)c1 ZINC000492375158 566933572 /nfs/dbraw/zinc/93/35/72/566933572.db2.gz IMUFCZWOFKYVKE-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM O=C(c1cccc(Br)c1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000519334756 566934653 /nfs/dbraw/zinc/93/46/53/566934653.db2.gz ILFLOKPQSXFPMW-UHFFFAOYSA-N -1 3 381.314 3.493 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)s1 ZINC000680855322 566936802 /nfs/dbraw/zinc/93/68/02/566936802.db2.gz KSQNJLBLSYJAPT-ZCFIWIBFSA-N -1 3 396.387 3.302 20 0 GGADHM Cc1ccc(Cl)c2sc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)nc21 ZINC000564013867 566937400 /nfs/dbraw/zinc/93/74/00/566937400.db2.gz PPUDCEZOHJZYLV-LBPRGKRZSA-N -1 3 389.930 3.161 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Br)c(C)c2)CCCC1 ZINC000583294836 566937494 /nfs/dbraw/zinc/93/74/94/566937494.db2.gz CFNICZWYVAAXPE-UHFFFAOYSA-N -1 3 390.299 3.233 20 0 GGADHM CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2cc([O-])ccc2Br)C1 ZINC000492790640 566937406 /nfs/dbraw/zinc/93/74/06/566937406.db2.gz CQNBCEBWCNVICU-FZMZJTMJSA-N -1 3 395.219 3.186 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C ZINC000544099809 566938034 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O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Br ZINC000471268117 566940422 /nfs/dbraw/zinc/94/04/22/566940422.db2.gz YCBIPJDSRQPIEW-UHFFFAOYSA-N -1 3 392.644 3.213 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000564058325 566941127 /nfs/dbraw/zinc/94/11/27/566941127.db2.gz WQCRVSCLOYXGNN-UHFFFAOYSA-N -1 3 390.795 3.386 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3c(F)cccc3Cl)cc2C1 ZINC000656731906 566941148 /nfs/dbraw/zinc/94/11/48/566941148.db2.gz PKEZABRDLCZJCI-UHFFFAOYSA-N -1 3 388.873 3.246 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O)C1CCCCC1 ZINC000656731329 566941203 /nfs/dbraw/zinc/94/12/03/566941203.db2.gz NVLOBLIBHXMLBD-CYBMUJFWSA-N -1 3 382.404 3.143 20 0 GGADHM C[C@H]1C[C@H]1N1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130677 566941671 /nfs/dbraw/zinc/94/16/71/566941671.db2.gz ZYAGWOWKQVENDA-ZIBATOQPSA-N -1 3 385.277 3.096 20 0 GGADHM C[C@H](OCCC[N-]S(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000519489812 566942404 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XTIAEZZAQIYTCG-UHFFFAOYSA-N -1 3 399.285 3.476 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cncc(Cl)c1Br)C1CCCC1 ZINC000656737769 566944788 /nfs/dbraw/zinc/94/47/88/566944788.db2.gz OLLIWIMTOSFFRR-LBPRGKRZSA-N -1 3 397.722 3.444 20 0 GGADHM CC(C)n1cc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)cn1 ZINC000471302138 566944829 /nfs/dbraw/zinc/94/48/29/566944829.db2.gz WYTXFFVQHCHSOJ-UHFFFAOYSA-N -1 3 393.220 3.403 20 0 GGADHM CN1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cc(Br)c3[O-])C2)C1 ZINC000452158518 566945048 /nfs/dbraw/zinc/94/50/48/566945048.db2.gz ZWCSMHULWCRQCO-MRXNPFEDSA-N -1 3 387.705 3.366 20 0 GGADHM C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1F)N1CCCCC1 ZINC000544186594 566946322 /nfs/dbraw/zinc/94/63/22/566946322.db2.gz GGZMXMADOUDKHF-LBPRGKRZSA-N -1 3 393.322 3.131 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2cc3cc(Br)ccc3[nH]2)c[nH]1 ZINC000681016202 566946649 /nfs/dbraw/zinc/94/66/49/566946649.db2.gz YNQRWTNJSKOADU-UHFFFAOYSA-N -1 3 397.298 3.255 20 0 GGADHM O=C([O-])CCN(Cc1cc(Br)cc2cccnc21)C[C@@H]1CCCO1 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GGADHM COC[C@H]1CCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000681088717 566950154 /nfs/dbraw/zinc/95/01/54/566950154.db2.gz KKXZRHCUFXJNAO-LBPRGKRZSA-N -1 3 393.281 3.179 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N(C)C ZINC000612024962 566950157 /nfs/dbraw/zinc/95/01/57/566950157.db2.gz MVFUBNXSYMXFSI-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCc3c(F)ccc(Br)c3C2)cs1 ZINC000452193412 566950621 /nfs/dbraw/zinc/95/06/21/566950621.db2.gz NQKHRXOGKAXZDK-UHFFFAOYSA-N -1 3 384.274 3.097 20 0 GGADHM C[C@H](CNC(=O)CNC(=O)c1cccc([O-])c1)c1c(Cl)cccc1Cl ZINC000471393791 566950537 /nfs/dbraw/zinc/95/05/37/566950537.db2.gz XYDMBAMMNAUZOX-LLVKDONJSA-N -1 3 381.259 3.349 20 0 GGADHM CC(C)(CF)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000493629331 566952688 /nfs/dbraw/zinc/95/26/88/566952688.db2.gz AMZVARCDVKDCQL-CYBMUJFWSA-N -1 3 379.881 3.314 20 0 GGADHM Cc1onc(-c2cccc(Br)c2)c1C(=O)[N-]c1nnc(C)n1C ZINC000544323469 566953466 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CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429830611 566954162 /nfs/dbraw/zinc/95/41/62/566954162.db2.gz XCGGHYXABJCBKW-UHFFFAOYSA-N -1 3 384.723 3.180 20 0 GGADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429829951 566954183 /nfs/dbraw/zinc/95/41/83/566954183.db2.gz PFUYWDOKFLVTRZ-NSHDSACASA-N -1 3 398.750 3.426 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccn(C(C)C)n2)s1 ZINC000583474235 566954239 /nfs/dbraw/zinc/95/42/39/566954239.db2.gz VNFRLWRGHZWKFS-UHFFFAOYSA-N -1 3 378.317 3.075 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cn1 ZINC000471481841 566954247 /nfs/dbraw/zinc/95/42/47/566954247.db2.gz VPYGIOJWLOFIBM-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493740166 566955071 /nfs/dbraw/zinc/95/50/71/566955071.db2.gz UJGBWGLKPSCIDJ-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCCC1)c1cc(Cl)ccc1Br ZINC000429825854 566954890 /nfs/dbraw/zinc/95/48/90/566954890.db2.gz GVPBGFKJLHAJRB-UHFFFAOYSA-N -1 3 396.734 3.466 20 0 GGADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000519640031 566955012 /nfs/dbraw/zinc/95/50/12/566955012.db2.gz GZGAWVXIDSLKJE-SNVBAGLBSA-N -1 3 394.946 3.117 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000429844515 566955722 /nfs/dbraw/zinc/95/57/22/566955722.db2.gz VQJKEEQKWQNKDI-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000493824634 566955930 /nfs/dbraw/zinc/95/59/30/566955930.db2.gz SXOSUWVXURVPTH-JSGCOSHPSA-N -1 3 393.958 3.175 20 0 GGADHM O=S(=O)([N-]CCNc1ccc2ccccc2n1)c1c(Cl)cccc1Cl ZINC000564226072 566956111 /nfs/dbraw/zinc/95/61/11/566956111.db2.gz URZMUQOQAVDQAY-UHFFFAOYSA-N -1 3 396.299 3.354 20 0 GGADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544348613 566956255 /nfs/dbraw/zinc/95/62/55/566956255.db2.gz QTITYZQFOCBZQC-BXKDBHETSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)OCCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429844675 566956220 /nfs/dbraw/zinc/95/62/20/566956220.db2.gz MAEUXBVJNIPYIR-UHFFFAOYSA-N -1 3 395.352 3.161 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cccc(Br)c1F ZINC000544347595 566956290 /nfs/dbraw/zinc/95/62/90/566956290.db2.gz LXIUUJXAQRCNKA-NSHDSACASA-N -1 3 380.279 3.216 20 0 GGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544350884 566956391 /nfs/dbraw/zinc/95/63/91/566956391.db2.gz KVAXQRACYTTYOO-WDEREUQCSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493841574 566956524 /nfs/dbraw/zinc/95/65/24/566956524.db2.gz GBFWAVDAAZLCIK-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2c(F)ccc(Br)c2C1 ZINC000564224633 566956585 /nfs/dbraw/zinc/95/65/85/566956585.db2.gz NUAWILXDRVKFOZ-UHFFFAOYSA-N -1 3 392.228 3.160 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000612138316 566956601 /nfs/dbraw/zinc/95/66/01/566956601.db2.gz PHGOTLHUCHRTCL-UHFFFAOYSA-N -1 3 381.828 3.373 20 0 GGADHM O=S(=O)(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([O-])cc1 ZINC000583496007 566956666 /nfs/dbraw/zinc/95/66/66/566956666.db2.gz SNPXBVHNYKJJNI-SFHVURJKSA-N -1 3 380.897 3.161 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000429855915 566957368 /nfs/dbraw/zinc/95/73/68/566957368.db2.gz FWUUOSNGTDQFMA-VIFPVBQESA-N -1 3 391.242 3.156 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(Cl)c(Br)c1 ZINC000519673625 566957943 /nfs/dbraw/zinc/95/79/43/566957943.db2.gz MPWFEHIRADXRFD-UHFFFAOYSA-N -1 3 396.612 3.423 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccn1 ZINC000656861651 566958186 /nfs/dbraw/zinc/95/81/86/566958186.db2.gz XOPZGIPFTKGXBH-UHFFFAOYSA-N -1 3 399.310 3.154 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CSc2ccc(C(C)C)cc2)s1 ZINC000612157860 566958263 /nfs/dbraw/zinc/95/82/63/566958263.db2.gz QRPJIKLHDSYQQW-UHFFFAOYSA-N -1 3 398.575 3.188 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493895769 566958553 /nfs/dbraw/zinc/95/85/53/566958553.db2.gz ACZDDIKEBNYOSI-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1cc(Cl)ccc1Br ZINC000429853540 566958569 /nfs/dbraw/zinc/95/85/69/566958569.db2.gz SJSAOYHNCXFPOH-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1(C)C ZINC000493887883 566958799 /nfs/dbraw/zinc/95/87/99/566958799.db2.gz IHKXKTMISBKZBK-QWRGUYRKSA-N -1 3 382.707 3.194 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3cccc(Br)c3C2)c1 ZINC000681203960 566958939 /nfs/dbraw/zinc/95/89/39/566958939.db2.gz MUTDVAILVKJBAG-UHFFFAOYSA-N -1 3 375.222 3.269 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429859503 566959317 /nfs/dbraw/zinc/95/93/17/566959317.db2.gz JKYLKMHKZYPARU-ONGXEEELSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493887060 566959175 /nfs/dbraw/zinc/95/91/75/566959175.db2.gz AMTNDJMNHDDORD-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1(C)C ZINC000429862978 566959280 /nfs/dbraw/zinc/95/92/80/566959280.db2.gz CAAGKHTUTAIZDA-NWDGAFQWSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429865323 566959342 /nfs/dbraw/zinc/95/93/42/566959342.db2.gz HFJYVJSDABNKGH-CABZTGNLSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@H]1CCCC[C@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471555525 566959513 /nfs/dbraw/zinc/95/95/13/566959513.db2.gz NVNBOHBLQNODMD-IINYFYTJSA-N -1 3 378.416 3.385 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429859720 566959575 /nfs/dbraw/zinc/95/95/75/566959575.db2.gz MVQMJSVCAHJTES-JTQLQIEISA-N -1 3 382.707 3.338 20 0 GGADHM CCCN(CC1CC1)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471554506 566959874 /nfs/dbraw/zinc/95/98/74/566959874.db2.gz GHYWXYVEFRYXJB-UHFFFAOYSA-N -1 3 378.416 3.339 20 0 GGADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493901465 566960416 /nfs/dbraw/zinc/96/04/16/566960416.db2.gz UMSWFDSDCFFUTF-SNVBAGLBSA-N -1 3 384.723 3.180 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CN1C1CC1 ZINC000429874646 566960738 /nfs/dbraw/zinc/96/07/38/566960738.db2.gz WZZWPIUHPWBWNP-KOLCDFICSA-N -1 3 393.734 3.006 20 0 GGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493903884 566960846 /nfs/dbraw/zinc/96/08/46/566960846.db2.gz BLEVKVYHBMCYIV-LLVKDONJSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1C1CC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000493917637 566960907 /nfs/dbraw/zinc/96/09/07/566960907.db2.gz SVBAHINNOWSEQT-MAUKXSAKSA-N -1 3 385.913 3.365 20 0 GGADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493904019 566961031 /nfs/dbraw/zinc/96/10/31/566961031.db2.gz BZHKHOAIYVPKTO-VHSXEESVSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429867694 566961398 /nfs/dbraw/zinc/96/13/98/566961398.db2.gz NVQVLNRUFOFIOA-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)c3cc(C)sc3C)cc2C1 ZINC000656872240 566961463 /nfs/dbraw/zinc/96/14/63/566961463.db2.gz JJOQJUJOSUQUMC-LLVKDONJSA-N -1 3 398.575 3.371 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CN1C1CC1 ZINC000429874647 566961575 /nfs/dbraw/zinc/96/15/75/566961575.db2.gz WZZWPIUHPWBWNP-MWLCHTKSSA-N -1 3 393.734 3.006 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429866969 566961641 /nfs/dbraw/zinc/96/16/41/566961641.db2.gz KZZLSPALRSTPSS-ZANVPECISA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1nc2c(s1)CCC2 ZINC000583553713 566961544 /nfs/dbraw/zinc/96/15/44/566961544.db2.gz NZNPKIGMAIEROP-SSDOTTSWSA-N -1 3 393.353 3.495 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)s1 ZINC000519718642 566961988 /nfs/dbraw/zinc/96/19/88/566961988.db2.gz AJJDGPKIRMVCMD-UHFFFAOYSA-N -1 3 391.312 3.164 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(C)C ZINC000429881248 566962955 /nfs/dbraw/zinc/96/29/55/566962955.db2.gz UMTBFJHYRHWPHD-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)nc1 ZINC000656878656 566963252 /nfs/dbraw/zinc/96/32/52/566963252.db2.gz OYTKBGSEADXYKQ-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000681260336 566963560 /nfs/dbraw/zinc/96/35/60/566963560.db2.gz WBAGVVIYGQLYOS-GFCCVEGCSA-N -1 3 383.844 3.221 20 0 GGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nc3ccc(Br)cc3n2C)C1 ZINC000583570528 566963692 /nfs/dbraw/zinc/96/36/92/566963692.db2.gz VNAQTHUOIDYGFN-QGZVFWFLSA-N -1 3 380.286 3.269 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCO1 ZINC000493959961 566963772 /nfs/dbraw/zinc/96/37/72/566963772.db2.gz IFNSJSWRWLMPED-WDEREUQCSA-N -1 3 382.707 3.338 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1 ZINC000564308210 566963914 /nfs/dbraw/zinc/96/39/14/566963914.db2.gz VFVNUBTZECHHEH-KRWDZBQOSA-N -1 3 386.901 3.164 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000429898469 566964167 /nfs/dbraw/zinc/96/41/67/566964167.db2.gz GUSSJSDWFYRMND-UHFFFAOYSA-N -1 3 383.750 3.384 20 0 GGADHM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000429897955 566964838 /nfs/dbraw/zinc/96/48/38/566964838.db2.gz FNZTYGGRGKREMY-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1Cl ZINC000429894412 566964886 /nfs/dbraw/zinc/96/48/86/566964886.db2.gz XLURULYPVWINAG-UHFFFAOYSA-N -1 3 387.292 3.276 20 0 GGADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429910656 566965542 /nfs/dbraw/zinc/96/55/42/566965542.db2.gz TVMKQDNKPCUBIA-NSHDSACASA-N -1 3 395.750 3.255 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1ccc(Cl)cc1Cl ZINC000429904600 566965638 /nfs/dbraw/zinc/96/56/38/566965638.db2.gz AAHGFOATUXDPLS-UHFFFAOYSA-N -1 3 384.178 3.189 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000429906899 566965756 /nfs/dbraw/zinc/96/57/56/566965756.db2.gz XXBBEJOMLPBROQ-VIFPVBQESA-N -1 3 384.242 3.171 20 0 GGADHM COCCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000429904425 566965802 /nfs/dbraw/zinc/96/58/02/566965802.db2.gz QWDALCLEGPFNGB-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493967088 566966231 /nfs/dbraw/zinc/96/62/31/566966231.db2.gz FAFGZFQZOFMNDK-MNOVXSKESA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429913564 566966381 /nfs/dbraw/zinc/96/63/81/566966381.db2.gz HPROUKUWNRITMD-UHFFFAOYSA-N -1 3 383.750 3.384 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCCc2cccs2)cc(C(F)(F)F)c1 ZINC000471610015 566966411 /nfs/dbraw/zinc/96/64/11/566966411.db2.gz LSLSJFCSHPHENJ-UHFFFAOYSA-N -1 3 392.424 3.111 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1(c2ccccc2F)CC1 ZINC000429928730 566967195 /nfs/dbraw/zinc/96/71/95/566967195.db2.gz FMCHNZZSIGBSIP-UHFFFAOYSA-N -1 3 389.228 3.469 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000429933133 566968001 /nfs/dbraw/zinc/96/80/01/566968001.db2.gz LTOQSRCWYHHLLF-CQSZACIVSA-N -1 3 389.257 3.001 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3CCC[C@@H](C(C)C)C3)cc2C1 ZINC000656897443 566968701 /nfs/dbraw/zinc/96/87/01/566968701.db2.gz LOUHRDPFHCFBPM-ZBFHGGJFSA-N -1 3 384.567 3.146 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC[C@@H](C(C)C)C3)cc2C1 ZINC000656897440 566968713 /nfs/dbraw/zinc/96/87/13/566968713.db2.gz LOUHRDPFHCFBPM-GDBMZVCRSA-N -1 3 384.567 3.146 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cs1 ZINC000681314052 566968850 /nfs/dbraw/zinc/96/88/50/566968850.db2.gz MDQHTGPWKCYGJF-VIFPVBQESA-N -1 3 398.897 3.336 20 0 GGADHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656895401 566968988 /nfs/dbraw/zinc/96/89/88/566968988.db2.gz YSDTXCIJMNBIJV-HOCLYGCPSA-N -1 3 384.567 3.290 20 0 GGADHM Cc1cc(OCC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1Cl ZINC000494041663 566969403 /nfs/dbraw/zinc/96/94/03/566969403.db2.gz JNZKFKWYFQDELO-UHFFFAOYSA-N -1 3 386.832 3.177 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1)C1CCCC1 ZINC000656896949 566969520 /nfs/dbraw/zinc/96/95/20/566969520.db2.gz JTYRKXXULWDVHI-IAGOWNOFSA-N -1 3 380.535 3.357 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc(Cl)cc1 ZINC000429939619 566969533 /nfs/dbraw/zinc/96/95/33/566969533.db2.gz HJLRAGMWAZEYGV-UHFFFAOYSA-N -1 3 379.645 3.494 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)cc1F ZINC000544596747 566970439 /nfs/dbraw/zinc/97/04/39/566970439.db2.gz WUDHHLDILWSUOK-OAHLLOKOSA-N -1 3 375.824 3.080 20 0 GGADHM O=c1cc(CSc2nnc(-c3cccc(Br)c3)o2)occ1[O-] ZINC000494110504 566970659 /nfs/dbraw/zinc/97/06/59/566970659.db2.gz LNKFXCLYAQEDHS-UHFFFAOYSA-N -1 3 381.207 3.450 20 0 GGADHM C[C@H]1CCC[C@@H](NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000471692032 566970838 /nfs/dbraw/zinc/97/08/38/566970838.db2.gz FXWYTQOIICWZBP-GXFFZTMASA-N -1 3 378.416 3.385 20 0 GGADHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000544597791 566970880 /nfs/dbraw/zinc/97/08/80/566970880.db2.gz CCQMVJFYGIYHDK-UHFFFAOYSA-N -1 3 381.295 3.243 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC[C@H]3CCCC[C@H]3C)cc2C1 ZINC000656905007 566970976 /nfs/dbraw/zinc/97/09/76/566970976.db2.gz VOAQHYILHITOMZ-UKRRQHHQSA-N -1 3 384.567 3.147 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000544596626 566971284 /nfs/dbraw/zinc/97/12/84/566971284.db2.gz VTQLAZYEOPEWFN-CYBMUJFWSA-N -1 3 394.251 3.153 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1cc(F)ccc1F ZINC000429966222 566971704 /nfs/dbraw/zinc/97/17/04/566971704.db2.gz PILRSSKDCZZMJH-UHFFFAOYSA-N -1 3 381.180 3.119 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@H]1c1ccncc1 ZINC000429980071 566972208 /nfs/dbraw/zinc/97/22/08/566972208.db2.gz NWZXJPURTGSVNS-OAHLLOKOSA-N -1 3 386.253 3.283 20 0 GGADHM Cc1csc(C(C)(C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)n1 ZINC000429975842 566972265 /nfs/dbraw/zinc/97/22/65/566972265.db2.gz SYEAZHILILVEJS-UHFFFAOYSA-N -1 3 394.298 3.340 20 0 GGADHM C[C@H](O)CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CCCCC1 ZINC000429976388 566972487 /nfs/dbraw/zinc/97/24/87/566972487.db2.gz SSRYPOXNCLUPFP-LBPRGKRZSA-N -1 3 395.301 3.066 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000519817655 566972649 /nfs/dbraw/zinc/97/26/49/566972649.db2.gz GDOROQMQUSIIGT-AWEZNQCLSA-N -1 3 381.881 3.274 20 0 GGADHM C[C@@H](O)CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CCCCC1 ZINC000429976386 566973101 /nfs/dbraw/zinc/97/31/01/566973101.db2.gz SSRYPOXNCLUPFP-GFCCVEGCSA-N -1 3 395.301 3.066 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCCc2occc21 ZINC000429980868 566973140 /nfs/dbraw/zinc/97/31/40/566973140.db2.gz DALDWJSHSLKXJI-ZDUSSCGKSA-N -1 3 375.226 3.311 20 0 GGADHM COc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1Br ZINC000471736584 566973999 /nfs/dbraw/zinc/97/39/99/566973999.db2.gz MYKPSBKFZJWURH-UHFFFAOYSA-N -1 3 399.266 3.082 20 0 GGADHM C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1=CCN(C)CC1 ZINC000544637311 566974215 /nfs/dbraw/zinc/97/42/15/566974215.db2.gz OZFNRSFWZYBQBA-LLVKDONJSA-N -1 3 377.901 3.052 20 0 GGADHM C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1=CCN(C)CC1 ZINC000544637312 566974315 /nfs/dbraw/zinc/97/43/15/566974315.db2.gz OZFNRSFWZYBQBA-NSHDSACASA-N -1 3 377.901 3.052 20 0 GGADHM CC(C)CN(CCN(C)C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000544638947 566977003 /nfs/dbraw/zinc/97/70/03/566977003.db2.gz VRNXNHIWEAILEJ-UHFFFAOYSA-N -1 3 381.933 3.332 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000471793652 566977551 /nfs/dbraw/zinc/97/75/51/566977551.db2.gz PCCOYSXSQXAAQW-HIFRSBDPSA-N -1 3 391.530 3.112 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000471786781 566978025 /nfs/dbraw/zinc/97/80/25/566978025.db2.gz KYFPQQYHKXFOOY-CQSZACIVSA-N -1 3 397.909 3.212 20 0 GGADHM CCc1cc(=O)[n-]c(CN(CCOC)Cc2ccc(Br)s2)n1 ZINC000494244374 566978247 /nfs/dbraw/zinc/97/82/47/566978247.db2.gz ILOBHFMTLCGGIG-UHFFFAOYSA-N -1 3 386.315 3.217 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000656936518 566978413 /nfs/dbraw/zinc/97/84/13/566978413.db2.gz LXIOZKBHRCKADU-SSDOTTSWSA-N -1 3 388.205 3.063 20 0 GGADHM O=S(=O)(Cc1ccc(Br)cc1Cl)c1nc(C2CC2)n[n-]1 ZINC000519931459 566979189 /nfs/dbraw/zinc/97/91/89/566979189.db2.gz VNWQXQLPWZBNSV-UHFFFAOYSA-N -1 3 376.663 3.072 20 0 GGADHM O=S(=O)(Cc1ccc(Br)cc1Cl)c1nnc(C2CC2)[n-]1 ZINC000519931459 566979198 /nfs/dbraw/zinc/97/91/98/566979198.db2.gz VNWQXQLPWZBNSV-UHFFFAOYSA-N -1 3 376.663 3.072 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(F)(F)F ZINC000544668414 566979657 /nfs/dbraw/zinc/97/96/57/566979657.db2.gz PGPQCGMIERDVHU-CQSZACIVSA-N -1 3 378.416 3.217 20 0 GGADHM O=S(=O)([N-]CCCOCC(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000519928643 566979871 /nfs/dbraw/zinc/97/98/71/566979871.db2.gz XGHRVBMADNVCCR-UHFFFAOYSA-N -1 3 380.413 3.057 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C3CCC(C(C)C)CC3)cc2C1 ZINC000656938279 566980030 /nfs/dbraw/zinc/98/00/30/566980030.db2.gz WSRUFDHWASZEPK-UHFFFAOYSA-N -1 3 384.567 3.146 20 0 GGADHM CC[C@@H](C)Oc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccn1 ZINC000430094974 566981127 /nfs/dbraw/zinc/98/11/27/566981127.db2.gz BPOHRRJTWKJRIK-LLVKDONJSA-N -1 3 389.253 3.343 20 0 GGADHM CC[C@H](C)Oc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccn1 ZINC000430094975 566981141 /nfs/dbraw/zinc/98/11/41/566981141.db2.gz BPOHRRJTWKJRIK-NSHDSACASA-N -1 3 389.253 3.343 20 0 GGADHM COc1ccc(Cl)cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430094918 566982060 /nfs/dbraw/zinc/98/20/60/566982060.db2.gz MFGFPNQYNVPXHO-UHFFFAOYSA-N -1 3 380.629 3.433 20 0 GGADHM Cc1ccsc1CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471878122 566982113 /nfs/dbraw/zinc/98/21/13/566982113.db2.gz QPGSAWSDIQWKAL-UHFFFAOYSA-N -1 3 392.424 3.377 20 0 GGADHM CCOc1c(F)cccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430093970 566982212 /nfs/dbraw/zinc/98/22/12/566982212.db2.gz JGVUBGSJVODXRN-UHFFFAOYSA-N -1 3 378.201 3.309 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C)C1 ZINC000656949845 566982497 /nfs/dbraw/zinc/98/24/97/566982497.db2.gz VBESCRBLIZOCGN-YPMHNXCESA-N -1 3 392.315 3.084 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000471886788 566983044 /nfs/dbraw/zinc/98/30/44/566983044.db2.gz UFYOEYFMKZZXKQ-LLVKDONJSA-N -1 3 376.400 3.163 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000656953276 566983130 /nfs/dbraw/zinc/98/31/30/566983130.db2.gz IZHQGURCQSLOJE-ZDUSSCGKSA-N -1 3 392.315 3.085 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC3(C)CCCCCC3)cc2C1 ZINC000656955298 566983215 /nfs/dbraw/zinc/98/32/15/566983215.db2.gz XLHFXAVZXIDDOQ-UHFFFAOYSA-N -1 3 384.567 3.292 20 0 GGADHM CC(C)[C@@H]1CCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471886470 566983340 /nfs/dbraw/zinc/98/33/40/566983340.db2.gz SJBAHQZKSDBUCX-AWEZNQCLSA-N -1 3 378.416 3.338 20 0 GGADHM CC(C)[C@H]1CCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471886471 566983381 /nfs/dbraw/zinc/98/33/81/566983381.db2.gz SJBAHQZKSDBUCX-CQSZACIVSA-N -1 3 378.416 3.338 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc(Cl)c(C)c3)cc2C1 ZINC000656958099 566984800 /nfs/dbraw/zinc/98/48/00/566984800.db2.gz CFQMWFLTAYSEFG-UHFFFAOYSA-N -1 3 398.937 3.093 20 0 GGADHM O=C(C[C@@H](n1cccn1)C(F)(F)F)NCc1ccc([O-])c(Br)c1 ZINC000612642225 566985315 /nfs/dbraw/zinc/98/53/15/566985315.db2.gz DVSLARNANNQCDZ-GFCCVEGCSA-N -1 3 392.175 3.161 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000564552094 566985277 /nfs/dbraw/zinc/98/52/77/566985277.db2.gz ODPWVXURNCQNLG-UHFFFAOYSA-N -1 3 385.379 3.468 20 0 GGADHM CC(C)N(CC1CC1)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000520146170 566986199 /nfs/dbraw/zinc/98/61/99/566986199.db2.gz JCYWLECLXIYNAF-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F)C1CCCC1 ZINC000656963736 566986372 /nfs/dbraw/zinc/98/63/72/566986372.db2.gz CTYOOBXGBAIEMU-HOTGVXAUSA-N -1 3 379.444 3.457 20 0 GGADHM Cc1ccc(S(=O)(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)cc1Cl ZINC000564567573 566986997 /nfs/dbraw/zinc/98/69/97/566986997.db2.gz LVYPYRNVHWJRTN-UHFFFAOYSA-N -1 3 397.287 3.320 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)CCCC1 ZINC000564553630 566987454 /nfs/dbraw/zinc/98/74/54/566987454.db2.gz XLICLMWORBLIIN-UHFFFAOYSA-N -1 3 379.400 3.267 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(CC)CCOC1 ZINC000656971973 566987352 /nfs/dbraw/zinc/98/73/52/566987352.db2.gz AUJILQZVCXDXHA-HNNXBMFYSA-N -1 3 392.315 3.085 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)CC3CCCCC3)cc2C1 ZINC000656975770 566987432 /nfs/dbraw/zinc/98/74/32/566987432.db2.gz WJNGLOTXLGUFKH-CYBMUJFWSA-N -1 3 384.567 3.290 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F ZINC000494320966 566987397 /nfs/dbraw/zinc/98/73/97/566987397.db2.gz XMKOXLKUGNNNEK-NSHDSACASA-N -1 3 387.395 3.250 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000656976923 566987758 /nfs/dbraw/zinc/98/77/58/566987758.db2.gz RBDHTBWZISBFMZ-NSHDSACASA-N -1 3 394.356 3.269 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)s1 ZINC000520156993 566987750 /nfs/dbraw/zinc/98/77/50/566987750.db2.gz QIUSLTJHUIOKLA-UHFFFAOYSA-N -1 3 393.317 3.170 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(CC)CCOC1 ZINC000656971974 566987854 /nfs/dbraw/zinc/98/78/54/566987854.db2.gz AUJILQZVCXDXHA-OAHLLOKOSA-N -1 3 392.315 3.085 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2Cn2ccnc2)sc1Cl ZINC000564577527 566989209 /nfs/dbraw/zinc/98/92/09/566989209.db2.gz QPMJLLJPNAQWLD-UHFFFAOYSA-N -1 3 381.910 3.433 20 0 GGADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC[C@@H]2CCCO2)c1 ZINC000583853362 566989319 /nfs/dbraw/zinc/98/93/19/566989319.db2.gz GWXFADRGSSRQSG-INIZCTEOSA-N -1 3 381.519 3.401 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)ccc1[O-] ZINC000430140402 566989643 /nfs/dbraw/zinc/98/96/43/566989643.db2.gz TZHPWIRNXZUTON-AWEZNQCLSA-N -1 3 378.266 3.044 20 0 GGADHM O=C(C[C@H]1CCOc2ccccc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430138194 566989656 /nfs/dbraw/zinc/98/96/56/566989656.db2.gz HLVXGYZUNONDJA-GFCCVEGCSA-N -1 3 386.249 3.414 20 0 GGADHM CCCN(CC(F)F)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471953929 566989868 /nfs/dbraw/zinc/98/98/68/566989868.db2.gz NQZPDIFMWFUHPS-UHFFFAOYSA-N -1 3 388.358 3.194 20 0 GGADHM O=C(C[C@@H]1CCOc2ccccc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430138195 566989980 /nfs/dbraw/zinc/98/99/80/566989980.db2.gz HLVXGYZUNONDJA-LBPRGKRZSA-N -1 3 386.249 3.414 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C(=O)c1ccccc1 ZINC000471969127 566990890 /nfs/dbraw/zinc/99/08/90/566990890.db2.gz YEBARORVVOIXLJ-UHFFFAOYSA-N -1 3 388.196 3.222 20 0 GGADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544749631 566991028 /nfs/dbraw/zinc/99/10/28/566991028.db2.gz HUDRUGQQMWDHEV-UHFFFAOYSA-N -1 3 389.271 3.095 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000564606702 566992418 /nfs/dbraw/zinc/99/24/18/566992418.db2.gz YXBSTHJZFFEBMW-JTQLQIEISA-N -1 3 375.343 3.299 20 0 GGADHM Cc1nccn1CCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000583878938 566992597 /nfs/dbraw/zinc/99/25/97/566992597.db2.gz MAPVOYMDICACMD-UHFFFAOYSA-N -1 3 389.253 3.028 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000430148596 566992685 /nfs/dbraw/zinc/99/26/85/566992685.db2.gz LLMMTBPYCVFBBZ-UHFFFAOYSA-N -1 3 399.248 3.120 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)c1cccc(Cl)c1 ZINC000656992900 566993185 /nfs/dbraw/zinc/99/31/85/566993185.db2.gz GZKQYJWCGXYXDA-SJORKVTESA-N -1 3 375.918 3.152 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CCCCO ZINC000657000748 566994026 /nfs/dbraw/zinc/99/40/26/566994026.db2.gz AQAVHNLIWALVKI-GFCCVEGCSA-N -1 3 394.331 3.067 20 0 GGADHM CC(C)OC(=O)CC[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000472036176 566996404 /nfs/dbraw/zinc/99/64/04/566996404.db2.gz BQECYSGVMCMRIH-LLVKDONJSA-N -1 3 387.274 3.074 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c(Cl)c1 ZINC000564680734 566997383 /nfs/dbraw/zinc/99/73/83/566997383.db2.gz CITBFMVRFKLFOS-UHFFFAOYSA-N -1 3 375.805 3.306 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1)C1CCCC1 ZINC000657007665 566997974 /nfs/dbraw/zinc/99/79/74/566997974.db2.gz KJZDPCRXTAXAPF-RDJZCZTQSA-N -1 3 387.567 3.076 20 0 GGADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000494411325 566998380 /nfs/dbraw/zinc/99/83/80/566998380.db2.gz BEMMUZCONPJBAF-SJKOYZFVSA-N -1 3 378.266 3.244 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000657019378 566998913 /nfs/dbraw/zinc/99/89/13/566998913.db2.gz ZVGDKMGPEMFUIR-RKDXNWHRSA-N -1 3 384.242 3.156 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2Br)ccc1[O-] ZINC000430181721 566999556 /nfs/dbraw/zinc/99/95/56/566999556.db2.gz UTIUQHAEIPZGFQ-ZDUSSCGKSA-N -1 3 378.266 3.044 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)cn1 ZINC000657019572 566999829 /nfs/dbraw/zinc/99/98/29/566999829.db2.gz CGFBDVAEVITACS-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1C1CC1 ZINC000681688374 566999864 /nfs/dbraw/zinc/99/98/64/566999864.db2.gz LRLNNAZLZGXHGU-UHFFFAOYSA-N -1 3 389.308 3.324 20 0 GGADHM C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000472093196 567000007 /nfs/dbraw/zinc/00/00/07/567000007.db2.gz IPKXUDACTOOIFM-ZDUSSCGKSA-N -1 3 391.530 3.257 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cs1 ZINC000520387556 567000898 /nfs/dbraw/zinc/00/08/98/567000898.db2.gz VLCYMBBTZMSYOU-VIFPVBQESA-N -1 3 399.925 3.283 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cs1 ZINC000520387555 567000951 /nfs/dbraw/zinc/00/09/51/567000951.db2.gz VLCYMBBTZMSYOU-SECBINFHSA-N -1 3 399.925 3.283 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-]CC(=O)c1c(Cl)cccc1Cl ZINC000657028303 567001124 /nfs/dbraw/zinc/00/11/24/567001124.db2.gz FKZQQVVUKNZBNP-UHFFFAOYSA-N -1 3 393.317 3.103 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000520382014 567001082 /nfs/dbraw/zinc/00/10/82/567001082.db2.gz RFIIDSATUZHWDK-JTQLQIEISA-N -1 3 395.893 3.255 20 0 GGADHM CCc1cc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC000564752268 567003885 /nfs/dbraw/zinc/00/38/85/567003885.db2.gz JJPBYINVIKXJNU-UHFFFAOYSA-N -1 3 381.881 3.202 20 0 GGADHM COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1csc(=O)[n-]1 ZINC000472162284 567005454 /nfs/dbraw/zinc/00/54/54/567005454.db2.gz XUHRGYYEXXZCLP-UHFFFAOYSA-N -1 3 389.260 3.013 20 0 GGADHM CSCC[C@@H](C)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472158854 567005513 /nfs/dbraw/zinc/00/55/13/567005513.db2.gz QQCQWDSYDNGIJI-SNVBAGLBSA-N -1 3 398.472 3.291 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000520507973 567008399 /nfs/dbraw/zinc/00/83/99/567008399.db2.gz WBKGTQDAAMZOBU-GJZGRUSLSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000520507973 567008406 /nfs/dbraw/zinc/00/84/06/567008406.db2.gz WBKGTQDAAMZOBU-GJZGRUSLSA-N -1 3 384.237 3.371 20 0 GGADHM CCC(C)(C)[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000584053287 567008641 /nfs/dbraw/zinc/00/86/41/567008641.db2.gz FRCUQJDOARILER-GFCCVEGCSA-N -1 3 379.213 3.409 20 0 GGADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000657060477 567008754 /nfs/dbraw/zinc/00/87/54/567008754.db2.gz GDJHJLKDPUAIMJ-SNVBAGLBSA-N -1 3 395.750 3.254 20 0 GGADHM Cc1csc(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)c1 ZINC000452728173 567009392 /nfs/dbraw/zinc/00/93/92/567009392.db2.gz AGMRIWCFAHHYTG-UHFFFAOYSA-N -1 3 392.424 3.377 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1ccc(Cl)cc1Cl ZINC000657070116 567010189 /nfs/dbraw/zinc/01/01/89/567010189.db2.gz FTLGYOAOSREJHK-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM CCSCC[C@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472210400 567010312 /nfs/dbraw/zinc/01/03/12/567010312.db2.gz ZGVLWESTDPNYKO-JTQLQIEISA-N -1 3 398.472 3.338 20 0 GGADHM COc1ccc(CN2CCN(c3nc(C)cs3)CC2)c(Br)c1[O-] ZINC000544943734 567010586 /nfs/dbraw/zinc/01/05/86/567010586.db2.gz UIGJVQSKDVEVHK-UHFFFAOYSA-N -1 3 398.326 3.250 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H](c1ccccc1)C1CCC1 ZINC000520535748 567010689 /nfs/dbraw/zinc/01/06/89/567010689.db2.gz UXPXMEUREXDRHN-QGZVFWFLSA-N -1 3 398.937 3.337 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCN(CC(F)F)CC1 ZINC000452746551 567011054 /nfs/dbraw/zinc/01/10/54/567011054.db2.gz GIVDTYZHZKNKDB-UHFFFAOYSA-N -1 3 377.229 3.379 20 0 GGADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cn1 ZINC000544949352 567011005 /nfs/dbraw/zinc/01/10/05/567011005.db2.gz FCSSPIKDOSFMNK-NSHDSACASA-N -1 3 378.841 3.133 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1csc(-c2ccc(Cl)cc2)n1 ZINC000494595319 567011891 /nfs/dbraw/zinc/01/18/91/567011891.db2.gz MMCDRERQZZYKKZ-FZMZJTMJSA-N -1 3 386.926 3.293 20 0 GGADHM Cc1cnccc1C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000494605798 567011917 /nfs/dbraw/zinc/01/19/17/567011917.db2.gz VIHUIJKFZQSYFL-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000520568556 567011865 /nfs/dbraw/zinc/01/18/65/567011865.db2.gz XTVLXLUGOJOOPH-UHFFFAOYSA-N -1 3 375.211 3.076 20 0 GGADHM CC1(C)CCC[C@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472255384 567012369 /nfs/dbraw/zinc/01/23/69/567012369.db2.gz GLETXMVPXLUVBF-CYBMUJFWSA-N -1 3 378.416 3.385 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C1 ZINC000452750389 567012695 /nfs/dbraw/zinc/01/26/95/567012695.db2.gz FMQIMOHYDZYNAJ-NWDGAFQWSA-N -1 3 383.286 3.343 20 0 GGADHM COc1cccc(OC)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000657080298 567012916 /nfs/dbraw/zinc/01/29/16/567012916.db2.gz XWIDORKZPSYNTL-UHFFFAOYSA-N -1 3 381.397 3.263 20 0 GGADHM CC[C@H](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000657080644 567013094 /nfs/dbraw/zinc/01/30/94/567013094.db2.gz CBJHOILSBDNURO-UONOGXRCSA-N -1 3 375.918 3.470 20 0 GGADHM CC1(C)CCC[C@@H]1NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472255386 567013237 /nfs/dbraw/zinc/01/32/37/567013237.db2.gz GLETXMVPXLUVBF-ZDUSSCGKSA-N -1 3 378.416 3.385 20 0 GGADHM Cc1nc(C)c(Cc2nc(CCc3ccccc3Br)no2)c(=O)[n-]1 ZINC000545026596 567013523 /nfs/dbraw/zinc/01/35/23/567013523.db2.gz GHCVUNAHARWMIE-UHFFFAOYSA-N -1 3 389.253 3.321 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2c3ccccc3sc2C(=O)OC)s1 ZINC000613116357 567014232 /nfs/dbraw/zinc/01/42/32/567014232.db2.gz RCEFWQJFDAAZJQ-UHFFFAOYSA-N -1 3 396.515 3.185 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000494650093 567015548 /nfs/dbraw/zinc/01/55/48/567015548.db2.gz RQPUWJLOOQLKHR-GJZGRUSLSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000494650093 567015555 /nfs/dbraw/zinc/01/55/55/567015555.db2.gz RQPUWJLOOQLKHR-GJZGRUSLSA-N -1 3 384.237 3.371 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccc(OC)c1 ZINC000657108016 567015686 /nfs/dbraw/zinc/01/56/86/567015686.db2.gz MRRMSHQQNGXLMD-KRWDZBQOSA-N -1 3 387.860 3.295 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1OC)c1cccc(OC)c1 ZINC000657108621 567015704 /nfs/dbraw/zinc/01/57/04/567015704.db2.gz HRQMICVQGRPFTF-OAHLLOKOSA-N -1 3 385.869 3.023 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2CCN(Cc3ccncc3)CC2)sc1Cl ZINC000657108125 567015819 /nfs/dbraw/zinc/01/58/19/567015819.db2.gz QKICFXOPVFUXLV-UHFFFAOYSA-N -1 3 399.969 3.295 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1cccc(OC)c1 ZINC000657108945 567015853 /nfs/dbraw/zinc/01/58/53/567015853.db2.gz OILFUCOBXGHIGJ-CYBMUJFWSA-N -1 3 375.899 3.385 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c(F)cc1F ZINC000520631266 567016091 /nfs/dbraw/zinc/01/60/91/567016091.db2.gz XEHAXNSBXBZDFJ-HNNXBMFYSA-N -1 3 375.824 3.329 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1cccc(OC)c1 ZINC000657107656 567016107 /nfs/dbraw/zinc/01/61/07/567016107.db2.gz DKCVCZICSFPLHG-HOCLYGCPSA-N -1 3 377.453 3.128 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1cccc(OC)c1 ZINC000657107654 567016396 /nfs/dbraw/zinc/01/63/96/567016396.db2.gz DKCVCZICSFPLHG-GOEBONIOSA-N -1 3 377.453 3.128 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1OC)c1cccc(OC)c1 ZINC000657108620 567016421 /nfs/dbraw/zinc/01/64/21/567016421.db2.gz HRQMICVQGRPFTF-HNNXBMFYSA-N -1 3 385.869 3.023 20 0 GGADHM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)s1 ZINC000520678350 567016941 /nfs/dbraw/zinc/01/69/41/567016941.db2.gz AAZRBMOGRVOGNW-UHFFFAOYSA-N -1 3 393.334 3.004 20 0 GGADHM CCc1cccc(-c2nc(Cc3cc(Br)c[nH]c3=O)no2)c1[O-] ZINC000545055988 567016943 /nfs/dbraw/zinc/01/69/43/567016943.db2.gz VGELFMDRUJOZOD-UHFFFAOYSA-N -1 3 376.210 3.459 20 0 GGADHM CCCc1nnc([N-]C(=O)c2cnc3ncc(Br)cc3c2)s1 ZINC000681967268 567017346 /nfs/dbraw/zinc/01/73/46/567017346.db2.gz YPMYHRIDUFQXDM-UHFFFAOYSA-N -1 3 378.255 3.449 20 0 GGADHM C[C@H]1CC[C@H](N(C)C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000430468425 567018023 /nfs/dbraw/zinc/01/80/23/567018023.db2.gz GBKGMGKRPREWOU-RYUDHWBXSA-N -1 3 393.336 3.309 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C)C1CCCCC1 ZINC000472317669 567018534 /nfs/dbraw/zinc/01/85/34/567018534.db2.gz QQZRPEDLBLOARL-CHWSQXEVSA-N -1 3 391.530 3.112 20 0 GGADHM O=S(=O)([N-]CCNc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000472319277 567018633 /nfs/dbraw/zinc/01/86/33/567018633.db2.gz MATGUXZOUFKILN-UHFFFAOYSA-N -1 3 394.909 3.249 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)n1 ZINC000584169981 567018792 /nfs/dbraw/zinc/01/87/92/567018792.db2.gz UBGQZIBDAHSDMT-UHFFFAOYSA-N -1 3 395.731 3.487 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[C@H](C)C1CCCCC1 ZINC000472317671 567019093 /nfs/dbraw/zinc/01/90/93/567019093.db2.gz QQZRPEDLBLOARL-QWHCGFSZSA-N -1 3 391.530 3.112 20 0 GGADHM CCO[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@@H]1C ZINC000452821374 567019408 /nfs/dbraw/zinc/01/94/08/567019408.db2.gz IMVHDIBKKHHOMM-ZBEGNZNMSA-N -1 3 393.281 3.178 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000472346120 567020203 /nfs/dbraw/zinc/02/02/03/567020203.db2.gz WRCPSEMDNDGPET-LCHIKPRUSA-N -1 3 387.498 3.238 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000472346118 567020533 /nfs/dbraw/zinc/02/05/33/567020533.db2.gz WRCPSEMDNDGPET-ICBMNTSNSA-N -1 3 387.498 3.238 20 0 GGADHM CSC[C@H]1CCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472345704 567020657 /nfs/dbraw/zinc/02/06/57/567020657.db2.gz FKTGNIRADPZUAU-CYBMUJFWSA-N -1 3 396.456 3.045 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](CO)C2)cc1Cl ZINC000584190124 567020579 /nfs/dbraw/zinc/02/05/79/567020579.db2.gz KWAXDYRVKGHBPF-WDEREUQCSA-N -1 3 382.309 3.079 20 0 GGADHM O=S(=O)([N-]Cc1noc(C(F)(F)F)n1)c1c(Cl)ccc2ccccc21 ZINC000584199924 567020771 /nfs/dbraw/zinc/02/07/71/567020771.db2.gz DQCOQRLPXCRQLQ-UHFFFAOYSA-N -1 3 391.758 3.374 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Cl)cn1)c1cccc(Cl)c1Cl ZINC000472330094 567020915 /nfs/dbraw/zinc/02/09/15/567020915.db2.gz UZQCDPDGCPOAHT-UHFFFAOYSA-N -1 3 381.668 3.399 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)c(Cl)cc1F ZINC000472342718 567020937 /nfs/dbraw/zinc/02/09/37/567020937.db2.gz ZOODOTMXOQDWRQ-UHFFFAOYSA-N -1 3 379.844 3.452 20 0 GGADHM C[C@@H]1OCC[C@]1(C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430567070 567021372 /nfs/dbraw/zinc/02/13/72/567021372.db2.gz INZNOGPKESNRHU-PWJLMRLQSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430567070 567021377 /nfs/dbraw/zinc/02/13/77/567021377.db2.gz INZNOGPKESNRHU-PWJLMRLQSA-N -1 3 399.672 3.241 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@H]1CCCOCC1 ZINC000584208479 567021896 /nfs/dbraw/zinc/02/18/96/567021896.db2.gz LHGLLGWQSZNVSM-JTQLQIEISA-N -1 3 382.233 3.155 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000545150532 567022062 /nfs/dbraw/zinc/02/20/62/567022062.db2.gz GQUUVNPTKJTFQZ-UHFFFAOYSA-N -1 3 384.248 3.115 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000545150532 567022069 /nfs/dbraw/zinc/02/20/69/567022069.db2.gz GQUUVNPTKJTFQZ-UHFFFAOYSA-N -1 3 384.248 3.115 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1cccc(C)c1 ZINC000520740532 567022103 /nfs/dbraw/zinc/02/21/03/567022103.db2.gz SKUHACCOTAAUTO-CYBMUJFWSA-N -1 3 387.910 3.020 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000657134592 567022246 /nfs/dbraw/zinc/02/22/46/567022246.db2.gz NCCJYIYMQGERKC-UHFFFAOYSA-N -1 3 394.331 3.331 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)s1 ZINC000520738191 567022197 /nfs/dbraw/zinc/02/21/97/567022197.db2.gz IYNFKIOMBQCSAY-UHFFFAOYSA-N -1 3 394.499 3.137 20 0 GGADHM COC[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000430585755 567022509 /nfs/dbraw/zinc/02/25/09/567022509.db2.gz RBAFVLUVVWLFQY-CYBMUJFWSA-N -1 3 399.672 3.099 20 0 GGADHM COC[C@@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CC1 ZINC000430585755 567022515 /nfs/dbraw/zinc/02/25/15/567022515.db2.gz RBAFVLUVVWLFQY-CYBMUJFWSA-N -1 3 399.672 3.099 20 0 GGADHM CSCCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430589104 567022844 /nfs/dbraw/zinc/02/28/44/567022844.db2.gz CCINFWCXSZLPJH-UHFFFAOYSA-N -1 3 389.702 3.379 20 0 GGADHM CSCCN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430589104 567022848 /nfs/dbraw/zinc/02/28/48/567022848.db2.gz CCINFWCXSZLPJH-UHFFFAOYSA-N -1 3 389.702 3.379 20 0 GGADHM CC(C)OCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430585048 567023261 /nfs/dbraw/zinc/02/32/61/567023261.db2.gz VVUCIANPHRHAOR-UHFFFAOYSA-N -1 3 387.661 3.099 20 0 GGADHM CC(C)OCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430585048 567023267 /nfs/dbraw/zinc/02/32/67/567023267.db2.gz VVUCIANPHRHAOR-UHFFFAOYSA-N -1 3 387.661 3.099 20 0 GGADHM C[C@@H]1COCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430587359 567023375 /nfs/dbraw/zinc/02/33/75/567023375.db2.gz VSSJAPCFWCZKIM-VIFPVBQESA-N -1 3 399.672 3.053 20 0 GGADHM C[C@@H]1COCCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000430587359 567023380 /nfs/dbraw/zinc/02/33/80/567023380.db2.gz VSSJAPCFWCZKIM-VIFPVBQESA-N -1 3 399.672 3.053 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cs1 ZINC000452848231 567023400 /nfs/dbraw/zinc/02/34/00/567023400.db2.gz NSPUZSBGFCVQNJ-GFCCVEGCSA-N -1 3 380.311 3.389 20 0 GGADHM O=C(CCOc1ccccc1I)Nc1ccccc1[O-] ZINC000494811516 567023657 /nfs/dbraw/zinc/02/36/57/567023657.db2.gz LLYQDYHPCALSNO-UHFFFAOYSA-N -1 3 383.185 3.404 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(Br)s1 ZINC000584239296 567024214 /nfs/dbraw/zinc/02/42/14/567024214.db2.gz PFMSRBDGFHSTFP-UHFFFAOYSA-N -1 3 387.324 3.263 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3c(C4CC4)cnn3C)s2)cs1 ZINC000657151470 567025058 /nfs/dbraw/zinc/02/50/58/567025058.db2.gz KUMVYMLXQFMRGP-UHFFFAOYSA-N -1 3 394.547 3.269 20 0 GGADHM CCN=c1[n-]c(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cs1 ZINC000494821425 567025133 /nfs/dbraw/zinc/02/51/33/567025133.db2.gz HEBGKRDBOARTAA-SECBINFHSA-N -1 3 384.299 3.259 20 0 GGADHM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000657152695 567025493 /nfs/dbraw/zinc/02/54/93/567025493.db2.gz FWTACUMEMRCERV-UHFFFAOYSA-N -1 3 378.256 3.222 20 0 GGADHM COCc1csc(C[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000657150767 567025664 /nfs/dbraw/zinc/02/56/64/567025664.db2.gz NNUBTYQMLVTGBS-UHFFFAOYSA-N -1 3 382.326 3.197 20 0 GGADHM Cc1ncc(S(N)(=O)=O)cc1C(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000520836050 567026856 /nfs/dbraw/zinc/02/68/56/567026856.db2.gz FKJDYYNPZCJPMS-UHFFFAOYSA-N -1 3 399.925 3.444 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)s1 ZINC000545184143 567028086 /nfs/dbraw/zinc/02/80/86/567028086.db2.gz KBKNJFMRGCMZEK-VXGBXAGGSA-N -1 3 387.324 3.302 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000584282502 567029110 /nfs/dbraw/zinc/02/91/10/567029110.db2.gz UVCOKCVSSCYAQK-ZBEGNZNMSA-N -1 3 385.844 3.308 20 0 GGADHM CCc1sc(C(=O)N=c2[n-]n(C)cc2Br)cc1Br ZINC000565005847 567029362 /nfs/dbraw/zinc/02/93/62/567029362.db2.gz AAQWBVQLLNJUNS-UHFFFAOYSA-N -1 3 393.104 3.243 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1nc2c(s1)CCC2 ZINC000584280583 567029436 /nfs/dbraw/zinc/02/94/36/567029436.db2.gz WOHHDQODBVMBHM-MRVPVSSYSA-N -1 3 377.413 3.085 20 0 GGADHM C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C(C)(F)F ZINC000452883608 567029554 /nfs/dbraw/zinc/02/95/54/567029554.db2.gz YSQXMOWCPCEYBM-SECBINFHSA-N -1 3 394.490 3.062 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[nH]cn1 ZINC000545212611 567030019 /nfs/dbraw/zinc/03/00/19/567030019.db2.gz LAPRFPZTNFFPML-GFCCVEGCSA-N -1 3 378.454 3.028 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CN1c1ccccc1Cl ZINC000520895679 567030968 /nfs/dbraw/zinc/03/09/68/567030968.db2.gz QISNLFYSFUVFCU-SECBINFHSA-N -1 3 391.301 3.139 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1sccc1Br ZINC000584310244 567031281 /nfs/dbraw/zinc/03/12/81/567031281.db2.gz FQXUNVAXBZDDQD-UHFFFAOYSA-N -1 3 382.251 3.408 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1 ZINC000494881815 567031836 /nfs/dbraw/zinc/03/18/36/567031836.db2.gz HXCPPDMVPMUDIV-UHFFFAOYSA-N -1 3 378.212 3.151 20 0 GGADHM C[C@H](CC(F)(F)F)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472506222 567032545 /nfs/dbraw/zinc/03/25/45/567032545.db2.gz XHSWFXWJFJDHIH-SSDOTTSWSA-N -1 3 392.321 3.148 20 0 GGADHM Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000584345999 567034592 /nfs/dbraw/zinc/03/45/92/567034592.db2.gz OAEXLBBFJFXSFD-HNNXBMFYSA-N -1 3 380.282 3.301 20 0 GGADHM Cc1cc(C)cc(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000584345999 567034596 /nfs/dbraw/zinc/03/45/96/567034596.db2.gz OAEXLBBFJFXSFD-HNNXBMFYSA-N -1 3 380.282 3.301 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)s1 ZINC000657196755 567035043 /nfs/dbraw/zinc/03/50/43/567035043.db2.gz WOEZLLUVPYLUII-DAXOMENPSA-N -1 3 378.519 3.170 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Cl)s1 ZINC000657191384 567035295 /nfs/dbraw/zinc/03/52/95/567035295.db2.gz DYVFTFQHUSTWJZ-RIEGTJTDSA-N -1 3 398.937 3.433 20 0 GGADHM C[C@H]1CCC[C@H]1CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000545301923 567036191 /nfs/dbraw/zinc/03/61/91/567036191.db2.gz YKPUYPUUSYBKGT-RYUDHWBXSA-N -1 3 393.336 3.214 20 0 GGADHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cn1 ZINC000545290548 567036240 /nfs/dbraw/zinc/03/62/40/567036240.db2.gz DYJLYEMCMJXXER-UHFFFAOYSA-N -1 3 381.807 3.306 20 0 GGADHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000545291645 567037008 /nfs/dbraw/zinc/03/70/08/567037008.db2.gz ILOCYPMCNWLYRM-UHFFFAOYSA-N -1 3 398.735 3.111 20 0 GGADHM O=C(c1csc(=O)[n-]1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000495003047 567037953 /nfs/dbraw/zinc/03/79/53/567037953.db2.gz GIOHJGCGFUCVON-GFCCVEGCSA-N -1 3 394.802 3.110 20 0 GGADHM O=C(c1csc(=O)[n-]1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000495003048 567037968 /nfs/dbraw/zinc/03/79/68/567037968.db2.gz GIOHJGCGFUCVON-LBPRGKRZSA-N -1 3 394.802 3.110 20 0 GGADHM CSCCCCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472585499 567039038 /nfs/dbraw/zinc/03/90/38/567039038.db2.gz KIUQIBYFXOXZNV-UHFFFAOYSA-N -1 3 398.472 3.340 20 0 GGADHM C[C@@H](CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(F)(F)F ZINC000472586205 567039163 /nfs/dbraw/zinc/03/91/63/567039163.db2.gz NZKMTCCLCRBPSI-ZETCQYMHSA-N -1 3 392.321 3.005 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000565108067 567039654 /nfs/dbraw/zinc/03/96/54/567039654.db2.gz YWQFCAFCDHPOHX-INIZCTEOSA-N -1 3 394.265 3.019 20 0 GGADHM Cc1cc(N2[N-]C(=O)[C@@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)nc(C)n1 ZINC000634592042 567040469 /nfs/dbraw/zinc/04/04/69/567040469.db2.gz WAEPRJQDTRZGFB-QGZVFWFLSA-N -1 3 379.247 3.126 20 0 GGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000472628063 567043497 /nfs/dbraw/zinc/04/34/97/567043497.db2.gz QLWBYDVSVJSUAS-GFCCVEGCSA-N -1 3 395.750 3.254 20 0 GGADHM O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1csc(=O)[n-]1 ZINC000584444576 567043935 /nfs/dbraw/zinc/04/39/35/567043935.db2.gz LNAQUIRSSJVGJT-UHFFFAOYSA-N -1 3 397.294 3.089 20 0 GGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000521169398 567045127 /nfs/dbraw/zinc/04/51/27/567045127.db2.gz RKAKQCKHYLKSMU-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM Cc1ccc(SC[C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000472701394 567046501 /nfs/dbraw/zinc/04/65/01/567046501.db2.gz HCTDXKVUUYHPHH-CQSZACIVSA-N -1 3 378.519 3.277 20 0 GGADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1ccc(Br)o1 ZINC000545388032 567047080 /nfs/dbraw/zinc/04/70/80/567047080.db2.gz LBSHUEOTZIZMSV-CQSZACIVSA-N -1 3 399.310 3.158 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000545386102 567047411 /nfs/dbraw/zinc/04/74/11/567047411.db2.gz DZWLXELLNDARFS-MRVPVSSYSA-N -1 3 378.219 3.229 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCSC[C@H]1C1CC1 ZINC000584513565 567049314 /nfs/dbraw/zinc/04/93/14/567049314.db2.gz PZZPWBBIRYEKLT-HNNXBMFYSA-N -1 3 393.306 3.258 20 0 GGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000613616800 567049956 /nfs/dbraw/zinc/04/99/56/567049956.db2.gz STMIVHVCGUABNF-CYBMUJFWSA-N -1 3 379.503 3.015 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000682486203 567050226 /nfs/dbraw/zinc/05/02/26/567050226.db2.gz PGAUGOQZCQOZSI-ZYHUDNBSSA-N -1 3 383.844 3.220 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)s1 ZINC000431066819 567050560 /nfs/dbraw/zinc/05/05/60/567050560.db2.gz OFVPFRATHFFILB-MRVPVSSYSA-N -1 3 384.870 3.194 20 0 GGADHM Cc1cc(OC[C@@H](O)CN2CCSC[C@@H]2C(=O)[O-])c(C(C)C)cc1Cl ZINC000565252755 567051558 /nfs/dbraw/zinc/05/15/58/567051558.db2.gz CXOUUSSSJSDFIX-XJKSGUPXSA-N -1 3 387.929 3.014 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C)ccc2F)N(C)C)cc1 ZINC000565258762 567051704 /nfs/dbraw/zinc/05/17/04/567051704.db2.gz MYVZAIZVZPCRBR-QGZVFWFLSA-N -1 3 382.526 3.437 20 0 GGADHM O=C([O-])CN(Cc1ccc(I)cc1Cl)C1CCC1 ZINC000565254316 567052130 /nfs/dbraw/zinc/05/21/30/567052130.db2.gz NNFAKHLRDKJUSP-UHFFFAOYSA-N -1 3 379.625 3.384 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)c2ccccc21 ZINC000545464343 567053090 /nfs/dbraw/zinc/05/30/90/567053090.db2.gz CROSXLBXMYHSKP-CYBMUJFWSA-N -1 3 384.226 3.194 20 0 GGADHM CSC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000565284303 567053321 /nfs/dbraw/zinc/05/33/21/567053321.db2.gz AZFUYSILVZSKFD-UHFFFAOYSA-N -1 3 381.295 3.306 20 0 GGADHM O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cc([O-])ccc1Cl ZINC000495285300 567055867 /nfs/dbraw/zinc/05/58/67/567055867.db2.gz NDNURUXDIDWPRN-VIFPVBQESA-N -1 3 383.206 3.373 20 0 GGADHM CCOC[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000584574711 567056211 /nfs/dbraw/zinc/05/62/11/567056211.db2.gz FKAXHZLIEARTJZ-ZDUSSCGKSA-N -1 3 393.281 3.322 20 0 GGADHM CSc1ccc(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)cc1 ZINC000584586315 567057582 /nfs/dbraw/zinc/05/75/82/567057582.db2.gz UBTWJOZRAXRCEU-ZDUSSCGKSA-N -1 3 398.322 3.406 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccs1 ZINC000521376300 567057871 /nfs/dbraw/zinc/05/78/71/567057871.db2.gz AGSPVKHHDNVKAZ-CQSZACIVSA-N -1 3 388.917 3.484 20 0 GGADHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000495400142 567059205 /nfs/dbraw/zinc/05/92/05/567059205.db2.gz UYQFCLKANCTBQX-AWEZNQCLSA-N -1 3 386.926 3.337 20 0 GGADHM Cn1nc2c(c1S(=O)(=O)[N-]c1ccc(F)cc1Br)CCCC2 ZINC000634787263 567059784 /nfs/dbraw/zinc/05/97/84/567059784.db2.gz QXRJSVFVLOQVEX-UHFFFAOYSA-N -1 3 388.262 3.001 20 0 GGADHM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccccc2CC(F)(F)F)CCOC1 ZINC000634789361 567060091 /nfs/dbraw/zinc/06/00/91/567060091.db2.gz KFOMUYIRRSYTBW-OAHLLOKOSA-N -1 3 381.416 3.117 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(Br)c(C)c2)no1 ZINC000545529756 567060227 /nfs/dbraw/zinc/06/02/27/567060227.db2.gz UOBQICAMCVWKPE-UHFFFAOYSA-N -1 3 388.287 3.027 20 0 GGADHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000657470503 567060329 /nfs/dbraw/zinc/06/03/29/567060329.db2.gz BOTFTLMAUFJQHJ-HNNXBMFYSA-N -1 3 384.860 3.025 20 0 GGADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000634787291 567060741 /nfs/dbraw/zinc/06/07/41/567060741.db2.gz SANGNMAHTCUACC-OAHLLOKOSA-N -1 3 392.315 3.083 20 0 GGADHM COc1ccc(CN2CCC[C@H](c3ccnn3C)C2)c(Br)c1[O-] ZINC000545549959 567061191 /nfs/dbraw/zinc/06/11/91/567061191.db2.gz PWSCVJSCMQGJOR-LBPRGKRZSA-N -1 3 380.286 3.276 20 0 GGADHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000657470507 567061321 /nfs/dbraw/zinc/06/13/21/567061321.db2.gz BOTFTLMAUFJQHJ-OAHLLOKOSA-N -1 3 384.860 3.025 20 0 GGADHM Cc1ncc(CN[C@H](C)c2ccc(F)c(I)c2)c(=O)[n-]1 ZINC000453190297 567061463 /nfs/dbraw/zinc/06/14/63/567061463.db2.gz FODMUENNRQJJRY-MRVPVSSYSA-N -1 3 387.196 3.085 20 0 GGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1F ZINC000584693235 567061572 /nfs/dbraw/zinc/06/15/72/567061572.db2.gz RMXOUKIPILRAFJ-UHFFFAOYSA-N -1 3 391.779 3.214 20 0 GGADHM CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(OC)c([O-])c2Br)C1 ZINC000545547426 567061702 /nfs/dbraw/zinc/06/17/02/567061702.db2.gz DLZBHRVRNVQXTH-CQSZACIVSA-N -1 3 399.329 3.292 20 0 GGADHM COc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)c(Br)c1[O-] ZINC000545549956 567061805 /nfs/dbraw/zinc/06/18/05/567061805.db2.gz PWSCVJSCMQGJOR-GFCCVEGCSA-N -1 3 380.286 3.276 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c1Br ZINC000634792024 567062557 /nfs/dbraw/zinc/06/25/57/567062557.db2.gz YLYGENNNJMWPLL-OAHLLOKOSA-N -1 3 392.315 3.083 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc3[nH]ccc32)no1)c1ccc(Cl)s1 ZINC000545566133 567063026 /nfs/dbraw/zinc/06/30/26/567063026.db2.gz GQTPZAFSISRJIB-UHFFFAOYSA-N -1 3 394.865 3.411 20 0 GGADHM O=C(NC1CC1)c1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000521571006 567067544 /nfs/dbraw/zinc/06/75/44/567067544.db2.gz QVHFKKJWHGLIBY-UHFFFAOYSA-N -1 3 375.266 3.337 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCS1 ZINC000473231437 567068558 /nfs/dbraw/zinc/06/85/58/567068558.db2.gz CBLICQJJMMHPSE-JTQLQIEISA-N -1 3 396.456 3.045 20 0 GGADHM Cc1ccc(Br)cc1CS(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000584768943 567069008 /nfs/dbraw/zinc/06/90/08/567069008.db2.gz MQAJDQQAJUQJQZ-UHFFFAOYSA-N -1 3 397.294 3.246 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCS1 ZINC000473231438 567069051 /nfs/dbraw/zinc/06/90/51/567069051.db2.gz CBLICQJJMMHPSE-SNVBAGLBSA-N -1 3 396.456 3.045 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCNc2ncnc3sccc32)sc1Cl ZINC000682723907 567069577 /nfs/dbraw/zinc/06/95/77/567069577.db2.gz SLWSZJFQTZOLKP-UHFFFAOYSA-N -1 3 388.927 3.105 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](CN1CCCCC1)c1ccccc1 ZINC000682727652 567069800 /nfs/dbraw/zinc/06/98/00/567069800.db2.gz VSAJASGRMRYGFM-MRXNPFEDSA-N -1 3 380.535 3.262 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cc(Br)ccc1F ZINC000431272088 567070229 /nfs/dbraw/zinc/07/02/29/567070229.db2.gz UTZOEGPGBGKWCL-UHFFFAOYSA-N -1 3 386.242 3.097 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1ccc(F)cc1C(F)(F)F ZINC000431289414 567072224 /nfs/dbraw/zinc/07/22/24/567072224.db2.gz XLFXUIIYEPJXHA-UHFFFAOYSA-N -1 3 375.343 3.353 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc2nn[n-]c21 ZINC000682821525 567073930 /nfs/dbraw/zinc/07/39/30/567073930.db2.gz OLTUWWHQHFREGZ-LLVKDONJSA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc2[n-]nnc21 ZINC000682821525 567073936 /nfs/dbraw/zinc/07/39/36/567073936.db2.gz OLTUWWHQHFREGZ-LLVKDONJSA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc2n[n-]nc21 ZINC000682821525 567073940 /nfs/dbraw/zinc/07/39/40/567073940.db2.gz OLTUWWHQHFREGZ-LLVKDONJSA-N -1 3 376.247 3.273 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CCc2ccco2)no1 ZINC000545778228 567075860 /nfs/dbraw/zinc/07/58/60/567075860.db2.gz HKSPNHAISACAAJ-LLVKDONJSA-N -1 3 381.841 3.141 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)(C)C)s1 ZINC000565531777 567076298 /nfs/dbraw/zinc/07/62/98/567076298.db2.gz MWPZBNGVWIMZIJ-AWEZNQCLSA-N -1 3 385.486 3.306 20 0 GGADHM Cc1nc2ccc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)cc2s1 ZINC000431366679 567076676 /nfs/dbraw/zinc/07/66/76/567076676.db2.gz ZFDMQAKFYMEFJX-UHFFFAOYSA-N -1 3 379.438 3.368 20 0 GGADHM CC(C)CN(Cc1ccccc1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000521756055 567077266 /nfs/dbraw/zinc/07/72/66/567077266.db2.gz YRPSAVDVNBNGAL-HNNXBMFYSA-N -1 3 380.535 3.100 20 0 GGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000521753117 567077603 /nfs/dbraw/zinc/07/76/03/567077603.db2.gz GVSDDCCJOUUAOR-HNNXBMFYSA-N -1 3 380.535 3.244 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(OCCOC)c(C)c1)C(F)(F)F ZINC000521764564 567077849 /nfs/dbraw/zinc/07/78/49/567077849.db2.gz HBLCWUAIMNIZPB-IAQYHMDHSA-N -1 3 383.432 3.276 20 0 GGADHM CCCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@H](CC)c1ccccc1 ZINC000521759317 567077965 /nfs/dbraw/zinc/07/79/65/567077965.db2.gz HSOAWKYKSUNRHV-MRXNPFEDSA-N -1 3 380.535 3.416 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OCCOC)c(C)c1)C(F)(F)F ZINC000521764563 567078057 /nfs/dbraw/zinc/07/80/57/567078057.db2.gz HBLCWUAIMNIZPB-ABAIWWIYSA-N -1 3 383.432 3.276 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000565592275 567080579 /nfs/dbraw/zinc/08/05/79/567080579.db2.gz OBICBOBJBRVOPE-WCQYABFASA-N -1 3 381.828 3.177 20 0 GGADHM Cc1nc(C)c(Cc2nc(Cc3ccc(Br)c(F)c3)no2)c(=O)[n-]1 ZINC000545849311 567080944 /nfs/dbraw/zinc/08/09/44/567080944.db2.gz FDVSFBNNNMYKRN-UHFFFAOYSA-N -1 3 393.216 3.265 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000545859637 567081562 /nfs/dbraw/zinc/08/15/62/567081562.db2.gz UBPQKRVPTVAAEJ-OAHLLOKOSA-N -1 3 381.416 3.111 20 0 GGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000565586455 567081692 /nfs/dbraw/zinc/08/16/92/567081692.db2.gz MTASLVGXIWKWCQ-OAHLLOKOSA-N -1 3 392.830 3.339 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(-c2ccccc2)[nH]n1 ZINC000431448209 567082003 /nfs/dbraw/zinc/08/20/03/567082003.db2.gz KGPLWYLMODQAFB-UHFFFAOYSA-N -1 3 382.221 3.161 20 0 GGADHM CSc1ccccc1CN(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000473473500 567082959 /nfs/dbraw/zinc/08/29/59/567082959.db2.gz WAVLQXASTQZOBN-UHFFFAOYSA-N -1 3 382.482 3.191 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cnn2c1OCCC2)c1c(Cl)cccc1Cl ZINC000521838508 567083300 /nfs/dbraw/zinc/08/33/00/567083300.db2.gz DIBJVLAUITVACQ-JTQLQIEISA-N -1 3 390.292 3.054 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C2CCN([C@H](C)c3ccccc3)CC2)s1 ZINC000545891031 567085463 /nfs/dbraw/zinc/08/54/63/567085463.db2.gz MLQCZFHAUJVYQC-CQSZACIVSA-N -1 3 379.551 3.209 20 0 GGADHM C[C@@H]1CN(Cc2csc(NC(=O)c3cc([O-])ccc3Cl)n2)C[C@H](C)O1 ZINC000431510897 567086019 /nfs/dbraw/zinc/08/60/19/567086019.db2.gz IQVZCPDWXXYBMR-PHIMTYICSA-N -1 3 381.885 3.364 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO[C@@H]1C1CC1 ZINC000545927284 567089042 /nfs/dbraw/zinc/08/90/42/567089042.db2.gz RDXYNRQNMHXKFS-CABCVRRESA-N -1 3 392.290 3.072 20 0 GGADHM CCc1cccc(C(=O)N(CCO)Cc2ccc(Br)s2)c1[O-] ZINC000682992660 567089008 /nfs/dbraw/zinc/08/90/08/567089008.db2.gz GQDNYDPBSVHWQU-UHFFFAOYSA-N -1 3 384.295 3.413 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CC[C@@H]4CCC[C@@H]4C3)cc2N1 ZINC000565691033 567089993 /nfs/dbraw/zinc/08/99/93/567089993.db2.gz DJHBEUQZWAVTHA-OUCADQQQSA-N -1 3 382.913 3.472 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](C)OCC(C)C)c(F)cc1F ZINC000521970732 567090117 /nfs/dbraw/zinc/09/01/17/567090117.db2.gz UNTJPCROLGFMCK-NSHDSACASA-N -1 3 378.441 3.116 20 0 GGADHM CN(CC1CC1)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000565692847 567090055 /nfs/dbraw/zinc/09/00/55/567090055.db2.gz DIWUVFYRHDGGNR-HNNXBMFYSA-N -1 3 388.917 3.286 20 0 GGADHM CC(=O)NC1CCC([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000585808890 567091227 /nfs/dbraw/zinc/09/12/27/567091227.db2.gz KEKZDCKDWPKCEE-UHFFFAOYSA-N -1 3 393.336 3.336 20 0 GGADHM COc1c(Br)cc(CN(C)CCC(=O)[O-])cc1Br ZINC000565704599 567091763 /nfs/dbraw/zinc/09/17/63/567091763.db2.gz IVGUWABLHCLNHL-UHFFFAOYSA-N -1 3 381.064 3.127 20 0 GGADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(C)(C)C(C)(C)C)c1OC ZINC000431591683 567094738 /nfs/dbraw/zinc/09/47/38/567094738.db2.gz GQXAUQLUIXXOSI-UHFFFAOYSA-N -1 3 390.933 3.059 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1F ZINC000522021001 567095371 /nfs/dbraw/zinc/09/53/71/567095371.db2.gz MISOIJYOMCFFPS-UHFFFAOYSA-N -1 3 376.331 3.005 20 0 GGADHM COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ncccc1[O-] ZINC000683139192 567096276 /nfs/dbraw/zinc/09/62/76/567096276.db2.gz LEDDTKWIPZELAX-UHFFFAOYSA-N -1 3 379.210 3.160 20 0 GGADHM CSc1ccc([O-])c(C(=O)NCCCCn2cc(Br)cn2)c1 ZINC000614236578 567096671 /nfs/dbraw/zinc/09/66/71/567096671.db2.gz AWYPJBZJYRFSRA-UHFFFAOYSA-N -1 3 384.299 3.283 20 0 GGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000522055741 567096781 /nfs/dbraw/zinc/09/67/81/567096781.db2.gz FNLKMAUMUDHZDJ-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM COc1ccc(CN[C@@H](CO)c2ccc(F)cc2F)c(Br)c1[O-] ZINC000657794311 567097011 /nfs/dbraw/zinc/09/70/11/567097011.db2.gz XFEIYRKCEXJLGI-ZDUSSCGKSA-N -1 3 388.208 3.265 20 0 GGADHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000431623447 567097392 /nfs/dbraw/zinc/09/73/92/567097392.db2.gz SMBKAASMFMHAJK-LLVKDONJSA-N -1 3 386.901 3.225 20 0 GGADHM Cc1cc(NC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)sn1 ZINC000473708182 567097875 /nfs/dbraw/zinc/09/78/75/567097875.db2.gz BKYBBSSDMRRXKU-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2ncc(Br)cc2Cl)s1 ZINC000683141444 567098329 /nfs/dbraw/zinc/09/83/29/567098329.db2.gz OOQPQDJARSDYEF-UHFFFAOYSA-N -1 3 396.719 3.079 20 0 GGADHM Cc1cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(F)cc1Br ZINC000497452917 567099542 /nfs/dbraw/zinc/09/95/42/567099542.db2.gz YMEIIHBFTJXEQR-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(F)cc1Br ZINC000497452917 567099551 /nfs/dbraw/zinc/09/95/51/567099551.db2.gz YMEIIHBFTJXEQR-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(F)cc1Br ZINC000497452917 567099559 /nfs/dbraw/zinc/09/95/59/567099559.db2.gz YMEIIHBFTJXEQR-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000683195344 567104369 /nfs/dbraw/zinc/10/43/69/567104369.db2.gz JGCHILVMWVEICG-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(CN[C@@H](CO)Cc2ccc(C)c(C)c2)c(Br)c1[O-] ZINC000453639711 567100414 /nfs/dbraw/zinc/10/04/14/567100414.db2.gz WIYFIOPZZQZHLE-MRXNPFEDSA-N -1 3 394.309 3.473 20 0 GGADHM CN(Cc1cscn1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522149905 567101152 /nfs/dbraw/zinc/10/11/52/567101152.db2.gz NITJNTFDRVLMMY-UHFFFAOYSA-N -1 3 378.251 3.019 20 0 GGADHM COc1cc(C[NH2+]C[C@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1[O-] ZINC000683172842 567101417 /nfs/dbraw/zinc/10/14/17/567101417.db2.gz YVWKQBCWGMDKDS-AWEZNQCLSA-N -1 3 394.265 3.196 20 0 GGADHM O=C([O-])[C@H](NCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000683173814 567101588 /nfs/dbraw/zinc/10/15/88/567101588.db2.gz KPKAXEUMWRECRN-MRXNPFEDSA-N -1 3 378.222 3.136 20 0 GGADHM O=C(CSCc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000497486837 567101939 /nfs/dbraw/zinc/10/19/39/567101939.db2.gz CIAVJEWZQCEEMQ-UHFFFAOYSA-N -1 3 395.204 3.458 20 0 GGADHM O=C(CSCc1ccc(Br)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000497486837 567101944 /nfs/dbraw/zinc/10/19/44/567101944.db2.gz CIAVJEWZQCEEMQ-UHFFFAOYSA-N -1 3 395.204 3.458 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(Cl)c1Cl ZINC000683185465 567102587 /nfs/dbraw/zinc/10/25/87/567102587.db2.gz QLMLJFPXBGQWCS-UHFFFAOYSA-N -1 3 387.288 3.407 20 0 GGADHM CC[C@H]1CN(C)CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000614343419 567103393 /nfs/dbraw/zinc/10/33/93/567103393.db2.gz VIQAHGFJZSWMDH-LBPRGKRZSA-N -1 3 392.297 3.259 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@]12CCCO2 ZINC000546075692 567104212 /nfs/dbraw/zinc/10/42/12/567104212.db2.gz NYLINEOBBVLZGL-BZUAXINKSA-N -1 3 394.320 3.139 20 0 GGADHM COc1ncccc1CN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000565838504 567104939 /nfs/dbraw/zinc/10/49/39/567104939.db2.gz OJRAMYKDKJKXNE-JKSUJKDBSA-N -1 3 391.265 3.153 20 0 GGADHM O=C(CSCc1ccc(Br)cc1)N=c1cc2ccccn2[n-]1 ZINC000587483985 567105197 /nfs/dbraw/zinc/10/51/97/567105197.db2.gz RNCJRMPULHYUGB-UHFFFAOYSA-N -1 3 376.279 3.391 20 0 GGADHM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]2CCCC[C@H]12 ZINC000522214417 567106922 /nfs/dbraw/zinc/10/69/22/567106922.db2.gz NCRMSIPNFUEWTH-JHJVBQTASA-N -1 3 390.958 3.107 20 0 GGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473855994 567108290 /nfs/dbraw/zinc/10/82/90/567108290.db2.gz UDCLIRJCNAZIQU-NSHDSACASA-N -1 3 375.899 3.464 20 0 GGADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473855993 567108479 /nfs/dbraw/zinc/10/84/79/567108479.db2.gz UDCLIRJCNAZIQU-LLVKDONJSA-N -1 3 375.899 3.464 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473853832 567108509 /nfs/dbraw/zinc/10/85/09/567108509.db2.gz JGGGQJMIGBZJJN-JTQLQIEISA-N -1 3 381.300 3.428 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)oc1C ZINC000431804626 567108619 /nfs/dbraw/zinc/10/86/19/567108619.db2.gz LCMBSIPFYSRNKS-CYBMUJFWSA-N -1 3 385.438 3.029 20 0 GGADHM CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000431804474 567108818 /nfs/dbraw/zinc/10/88/18/567108818.db2.gz JYXCSFCQOCCRFG-UHFFFAOYSA-N -1 3 381.201 3.433 20 0 GGADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCOCC1 ZINC000683262046 567109014 /nfs/dbraw/zinc/10/90/14/567109014.db2.gz WAISOITZBGBPPF-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM CN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CCOCC1 ZINC000683262046 567109023 /nfs/dbraw/zinc/10/90/23/567109023.db2.gz WAISOITZBGBPPF-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM COC[C@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000683260729 567109266 /nfs/dbraw/zinc/10/92/66/567109266.db2.gz CKROWIXTHRONJJ-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM COC[C@H]1CCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000683260729 567109274 /nfs/dbraw/zinc/10/92/74/567109274.db2.gz CKROWIXTHRONJJ-SNVBAGLBSA-N -1 3 399.672 3.195 20 0 GGADHM C[C@@H]1COCCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000683262148 567109542 /nfs/dbraw/zinc/10/95/42/567109542.db2.gz WMCFBAOAWLIGFF-SECBINFHSA-N -1 3 399.672 3.195 20 0 GGADHM C[C@@H]1COCCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000683262148 567109547 /nfs/dbraw/zinc/10/95/47/567109547.db2.gz WMCFBAOAWLIGFF-SECBINFHSA-N -1 3 399.672 3.195 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CC(N)=O)c2cccc(Cl)c2)sc1Cl ZINC000473861989 567109626 /nfs/dbraw/zinc/10/96/26/567109626.db2.gz XYGVATOKKMRSAZ-LLVKDONJSA-N -1 3 393.317 3.258 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C2(N3CCOCC3)CCCC2)sc1Cl ZINC000473865158 567109652 /nfs/dbraw/zinc/10/96/52/567109652.db2.gz WEZNVZSHLSLLAM-ZDUSSCGKSA-N -1 3 392.974 3.022 20 0 GGADHM O=C(CC1CCN(CC(F)F)CC1)NCc1ccc([O-])c(Br)c1 ZINC000635712321 567109696 /nfs/dbraw/zinc/10/96/96/567109696.db2.gz PJPVDCQVFOINSV-UHFFFAOYSA-N -1 3 391.256 3.138 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2c(Br)ccc(F)c2C1 ZINC000565901292 567109766 /nfs/dbraw/zinc/10/97/66/567109766.db2.gz JPTUWGAIWAWANJ-UHFFFAOYSA-N -1 3 392.228 3.160 20 0 GGADHM COc1ccc(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000546164577 567110359 /nfs/dbraw/zinc/11/03/59/567110359.db2.gz FAALEEZTLTZZLS-UHFFFAOYSA-N -1 3 398.640 3.316 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2cc3c(s2)CCCC3)ccc1F ZINC000522270887 567110411 /nfs/dbraw/zinc/11/04/11/567110411.db2.gz JREQDWJVCDAPGC-UHFFFAOYSA-N -1 3 382.482 3.068 20 0 GGADHM CC(C)[C@H](C(=O)Nc1ccc(Br)cc1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000522274650 567111365 /nfs/dbraw/zinc/11/13/65/567111365.db2.gz SRIAJIQEPUBBND-XHBSWPGZSA-N -1 3 385.302 3.227 20 0 GGADHM O=C1CN(Cc2ccccc2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431861252 567111775 /nfs/dbraw/zinc/11/17/75/567111775.db2.gz XVHFKTBPQLHAJV-UHFFFAOYSA-N -1 3 375.222 3.119 20 0 GGADHM COc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)c(Br)c1[O-] ZINC000546178413 567112792 /nfs/dbraw/zinc/11/27/92/567112792.db2.gz OIBAPHMYSZGODK-UHFFFAOYSA-N -1 3 387.318 3.194 20 0 GGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c1O ZINC000588097595 567113629 /nfs/dbraw/zinc/11/36/29/567113629.db2.gz WKDMTZFYVXRVTD-LLVKDONJSA-N -1 3 382.825 3.393 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnc([C@H]3CCCO3)s2)c1[O-] ZINC000588097595 567113634 /nfs/dbraw/zinc/11/36/34/567113634.db2.gz WKDMTZFYVXRVTD-LLVKDONJSA-N -1 3 382.825 3.393 20 0 GGADHM CC[S@](=O)c1ccccc1C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588100865 567113667 /nfs/dbraw/zinc/11/36/67/567113667.db2.gz NWNNIGDYONYXCM-VWLOTQADSA-N -1 3 381.837 3.212 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000546197434 567113855 /nfs/dbraw/zinc/11/38/55/567113855.db2.gz NVSHTPOIFNEGOZ-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(F)cccc1F ZINC000522373004 567113965 /nfs/dbraw/zinc/11/39/65/567113965.db2.gz BXYIDXSCFBUGAB-ZDUSSCGKSA-N -1 3 392.830 3.339 20 0 GGADHM Cn1cc(Br)c(=NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[n-]1 ZINC000565952462 567114311 /nfs/dbraw/zinc/11/43/11/567114311.db2.gz WKWDCRPAURCACW-GHMZBOCLSA-N -1 3 388.187 3.366 20 0 GGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000497627291 567114549 /nfs/dbraw/zinc/11/45/49/567114549.db2.gz HYCVEGYWCCCSTK-AWEZNQCLSA-N -1 3 397.656 3.107 20 0 GGADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000497627292 567114635 /nfs/dbraw/zinc/11/46/35/567114635.db2.gz HYCVEGYWCCCSTK-CQSZACIVSA-N -1 3 397.656 3.107 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(-n3cccn3)cc2)sc1Cl ZINC000473909659 567114758 /nfs/dbraw/zinc/11/47/58/567114758.db2.gz DAMONLMYYVDTIN-UHFFFAOYSA-N -1 3 381.910 3.417 20 0 GGADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc2n(n1)CCCO2 ZINC000683336774 567115028 /nfs/dbraw/zinc/11/50/28/567115028.db2.gz YJKZVZWZSHBVGR-UHFFFAOYSA-N -1 3 375.841 3.014 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Cn3cccn3)cc2)sc1Cl ZINC000473920233 567115841 /nfs/dbraw/zinc/11/58/41/567115841.db2.gz NUWBJOOEJSNHLC-UHFFFAOYSA-N -1 3 381.910 3.433 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000546238458 567115787 /nfs/dbraw/zinc/11/57/87/567115787.db2.gz ZNYGZWLZQQEPKM-UHFFFAOYSA-N -1 3 378.281 3.187 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(CSc3ccc(Cl)cc3)no2)c1 ZINC000546235347 567116003 /nfs/dbraw/zinc/11/60/03/567116003.db2.gz HMZPNCITYILXKY-UHFFFAOYSA-N -1 3 396.881 3.449 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccc(Cl)c1 ZINC000431921295 567116703 /nfs/dbraw/zinc/11/67/03/567116703.db2.gz IMNUFUSHRVJLFX-CYBMUJFWSA-N -1 3 391.251 3.028 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1 ZINC000546253186 567116913 /nfs/dbraw/zinc/11/69/13/567116913.db2.gz MDKQQIRTCQIDMM-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@H](C)C2)s1 ZINC000473941619 567117223 /nfs/dbraw/zinc/11/72/23/567117223.db2.gz BDYOEPVVJBPXSY-QWRGUYRKSA-N -1 3 395.388 3.218 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431906553 567117587 /nfs/dbraw/zinc/11/75/87/567117587.db2.gz YZVVKELYIVNKHP-LBPRGKRZSA-N -1 3 377.853 3.353 20 0 GGADHM COc1ccc(CN(CCO)Cc2ccc(C)cc2)c(Br)c1[O-] ZINC000546256113 567118012 /nfs/dbraw/zinc/11/80/12/567118012.db2.gz JMOVQDKBGGTIMK-UHFFFAOYSA-N -1 3 380.282 3.466 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)sc1Cl ZINC000473942641 567118087 /nfs/dbraw/zinc/11/80/87/567118087.db2.gz FDUGQUOTNKFJMS-ZDUSSCGKSA-N -1 3 390.958 3.312 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccccc1Cl ZINC000497708420 567118997 /nfs/dbraw/zinc/11/89/97/567118997.db2.gz JJLLCRDJEXVQHR-UHFFFAOYSA-N -1 3 380.853 3.094 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)nc2ccccc12 ZINC000588173744 567119032 /nfs/dbraw/zinc/11/90/32/567119032.db2.gz ATCSWCDRCGNXBI-UHFFFAOYSA-N -1 3 398.307 3.241 20 0 GGADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000473950878 567119098 /nfs/dbraw/zinc/11/90/98/567119098.db2.gz IXECNOZYBVEOFI-ZETCQYMHSA-N -1 3 381.260 3.414 20 0 GGADHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473952158 567119444 /nfs/dbraw/zinc/11/94/44/567119444.db2.gz QKQYSKWUTPSYNG-UHFFFAOYSA-N -1 3 394.299 3.469 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000683378123 567119647 /nfs/dbraw/zinc/11/96/47/567119647.db2.gz GHWWXCCODCKUPX-UHFFFAOYSA-N -1 3 379.243 3.184 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000588173057 567119753 /nfs/dbraw/zinc/11/97/53/567119753.db2.gz IWCCRSJXGFCSKM-KOLCDFICSA-N -1 3 382.707 3.338 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000497717387 567119976 /nfs/dbraw/zinc/11/99/76/567119976.db2.gz PNDIHTDUCGQZTD-LLVKDONJSA-N -1 3 378.475 3.207 20 0 GGADHM COC(=O)C1(N(C)Cc2ccc(OC)c([O-])c2Br)CCCCC1 ZINC000546268831 567120547 /nfs/dbraw/zinc/12/05/47/567120547.db2.gz HYPDDOFCNTUELP-UHFFFAOYSA-N -1 3 386.286 3.471 20 0 GGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000546269147 567121188 /nfs/dbraw/zinc/12/11/88/567121188.db2.gz OURQVBBHLDBYAH-GFCCVEGCSA-N -1 3 386.926 3.174 20 0 GGADHM Cc1cc(Br)ccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000588218298 567122047 /nfs/dbraw/zinc/12/20/47/567122047.db2.gz ZPNLRULRBUUCIO-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM Cc1cncc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000546312492 567122400 /nfs/dbraw/zinc/12/24/00/567122400.db2.gz JLMQWTSPXZIXOB-LLVKDONJSA-N -1 3 378.841 3.133 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c1Cl ZINC000614599007 567124185 /nfs/dbraw/zinc/12/41/85/567124185.db2.gz XXZDOJOMNBBIRO-LBPRGKRZSA-N -1 3 377.293 3.476 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn3c(n2)CCCC3)c1Cl ZINC000614601677 567124801 /nfs/dbraw/zinc/12/48/01/567124801.db2.gz OHZSCAWOAZJJGD-UHFFFAOYSA-N -1 3 388.320 3.356 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)c1Cl ZINC000614599006 567124998 /nfs/dbraw/zinc/12/49/98/567124998.db2.gz XXZDOJOMNBBIRO-GFCCVEGCSA-N -1 3 377.293 3.476 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)oc1C ZINC000432030323 567125384 /nfs/dbraw/zinc/12/53/84/567125384.db2.gz DGXBUKDOTLGLJL-CYBMUJFWSA-N -1 3 385.438 3.029 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)oc1C ZINC000432030324 567125711 /nfs/dbraw/zinc/12/57/11/567125711.db2.gz DGXBUKDOTLGLJL-ZDUSSCGKSA-N -1 3 385.438 3.029 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000614608262 567125893 /nfs/dbraw/zinc/12/58/93/567125893.db2.gz SKNNUAKIOITCKF-BXUZGUMPSA-N -1 3 394.306 3.462 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Br)c(C)c2F)n1 ZINC000636110285 567126111 /nfs/dbraw/zinc/12/61/11/567126111.db2.gz JWNZGYWWDYEPBM-UHFFFAOYSA-N -1 3 382.233 3.366 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000636110086 567126522 /nfs/dbraw/zinc/12/65/22/567126522.db2.gz AMBVPWDBZHDZSC-UONOGXRCSA-N -1 3 390.281 3.408 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Oc2ccccc2Br)n1 ZINC000636115088 567126567 /nfs/dbraw/zinc/12/65/67/567126567.db2.gz NJHMVNOPIXIFHP-LLVKDONJSA-N -1 3 394.269 3.072 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cccc(Br)c2)n1 ZINC000636115463 567126716 /nfs/dbraw/zinc/12/67/16/567126716.db2.gz ZDLFLPZWDXCOCX-UHFFFAOYSA-N -1 3 378.270 3.237 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC000614614087 567127095 /nfs/dbraw/zinc/12/70/95/567127095.db2.gz PWNIYRBZVCKFLH-VIFPVBQESA-N -1 3 391.242 3.156 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cc(F)ccc2Br)n1 ZINC000636109702 567127139 /nfs/dbraw/zinc/12/71/39/567127139.db2.gz GESVSHQVDATKEJ-UHFFFAOYSA-N -1 3 396.260 3.376 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3cc(Br)sc3[nH]2)n1 ZINC000636113612 567127248 /nfs/dbraw/zinc/12/72/48/567127248.db2.gz DPOLYWKCPPQKAV-UHFFFAOYSA-N -1 3 395.282 3.461 20 0 GGADHM CSc1nnc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC000522722503 567127847 /nfs/dbraw/zinc/12/78/47/567127847.db2.gz GQULAICFGCGDEG-UHFFFAOYSA-N -1 3 378.845 3.191 20 0 GGADHM CSc1n[n-]c(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000522722503 567127855 /nfs/dbraw/zinc/12/78/55/567127855.db2.gz GQULAICFGCGDEG-UHFFFAOYSA-N -1 3 378.845 3.191 20 0 GGADHM CSc1nc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n[n-]1 ZINC000522722503 567127860 /nfs/dbraw/zinc/12/78/60/567127860.db2.gz GQULAICFGCGDEG-UHFFFAOYSA-N -1 3 378.845 3.191 20 0 GGADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432046773 567127883 /nfs/dbraw/zinc/12/78/83/567127883.db2.gz FTKQPOCUGKBIMA-UHFFFAOYSA-N -1 3 383.853 3.369 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1ccc(Cl)c(Cl)c1 ZINC000522751988 567128670 /nfs/dbraw/zinc/12/86/70/567128670.db2.gz NKFMGAZCIDNDJR-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432072659 567128818 /nfs/dbraw/zinc/12/88/18/567128818.db2.gz BECKDJSRDAFHPV-UHFFFAOYSA-N -1 3 376.821 3.185 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1C ZINC000432061396 567128970 /nfs/dbraw/zinc/12/89/70/567128970.db2.gz ILQBAQSBALWQKY-UHFFFAOYSA-N -1 3 381.837 3.438 20 0 GGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(I)c1 ZINC000497864324 567129552 /nfs/dbraw/zinc/12/95/52/567129552.db2.gz RIBIULIGPJSPCQ-UHFFFAOYSA-N -1 3 389.196 3.356 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000432077794 567130931 /nfs/dbraw/zinc/13/09/31/567130931.db2.gz JZSIOTXPNLQESO-UHFFFAOYSA-N -1 3 381.837 3.287 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H](O)C(F)(F)F ZINC000497933084 567132572 /nfs/dbraw/zinc/13/25/72/567132572.db2.gz FLYDWMQIBGBECH-WDEREUQCSA-N -1 3 380.215 3.115 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000497932960 567132640 /nfs/dbraw/zinc/13/26/40/567132640.db2.gz AMOACFLZCKNEMR-MNOVXSKESA-N -1 3 380.215 3.115 20 0 GGADHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cs1 ZINC000497941185 567133276 /nfs/dbraw/zinc/13/32/76/567133276.db2.gz WOMIOXWVIHQXKM-UHFFFAOYSA-N -1 3 378.441 3.379 20 0 GGADHM COCC[C@@]1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOC1 ZINC000683548780 567133914 /nfs/dbraw/zinc/13/39/14/567133914.db2.gz ZUILDBVPFJWDSX-OAHLLOKOSA-N -1 3 375.899 3.029 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(SC)cc2Cl)no1 ZINC000546506709 567134397 /nfs/dbraw/zinc/13/43/97/567134397.db2.gz WPRDTJOQOOZROO-UHFFFAOYSA-N -1 3 375.903 3.331 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@H](O)C(F)(F)F ZINC000497950981 567135093 /nfs/dbraw/zinc/13/50/93/567135093.db2.gz OCSXKSUAMVFYGP-JSGCOSHPSA-N -1 3 381.803 3.473 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CCCC(F)(F)F)ccc1Br ZINC000474108676 567135601 /nfs/dbraw/zinc/13/56/01/567135601.db2.gz YIYJLEXFSJRDNR-UHFFFAOYSA-N -1 3 376.194 3.079 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000497949437 567135639 /nfs/dbraw/zinc/13/56/39/567135639.db2.gz DXNDPMLJHOCVEB-ZJUUUORDSA-N -1 3 399.740 3.339 20 0 GGADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc2n(n1)CCCO2 ZINC000432179980 567136351 /nfs/dbraw/zinc/13/63/51/567136351.db2.gz ZZNQJAIFPYWMDZ-UHFFFAOYSA-N -1 3 379.804 3.229 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c1 ZINC000474122297 567136830 /nfs/dbraw/zinc/13/68/30/567136830.db2.gz HDGLVSLIZVLMGP-UHFFFAOYSA-N -1 3 396.306 3.151 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H](O)C(F)(F)F ZINC000497969205 567137322 /nfs/dbraw/zinc/13/73/22/567137322.db2.gz QXKIGUIPITXWPN-PSASIEDQSA-N -1 3 399.740 3.339 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c1 ZINC000474117896 567137567 /nfs/dbraw/zinc/13/75/67/567137567.db2.gz XXPLJWSHZFIUQR-CYBMUJFWSA-N -1 3 396.306 3.466 20 0 GGADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283880 567137989 /nfs/dbraw/zinc/13/79/89/567137989.db2.gz DVFICVMPACRARS-ZDUSSCGKSA-N -1 3 390.281 3.364 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000474130945 567138599 /nfs/dbraw/zinc/13/85/99/567138599.db2.gz HHJAPLUYFLDDLX-RYUDHWBXSA-N -1 3 384.548 3.207 20 0 GGADHM O=c1cc(-c2noc([C@H]3C[C@]34CCc3cc(Br)ccc34)n2)nc[n-]1 ZINC000566217712 567138745 /nfs/dbraw/zinc/13/87/45/567138745.db2.gz VIXQPGHHSOQHHE-PXAZEXFGSA-N -1 3 385.221 3.366 20 0 GGADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1Cl)c1ccccc1 ZINC000497980958 567139292 /nfs/dbraw/zinc/13/92/92/567139292.db2.gz DCOKIZOBXPRPGZ-CXAGYDPISA-N -1 3 381.881 3.477 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)CCc3cc(Cl)cs3)cc2)NC(=O)[N-]C1=O ZINC000522951920 567139818 /nfs/dbraw/zinc/13/98/18/567139818.db2.gz VIULLMBSYJGZQU-KRWDZBQOSA-N -1 3 377.853 3.027 20 0 GGADHM C[C@@]1(c2ccc(CNCc3csc(Cl)c3Cl)cc2)NC(=O)[N-]C1=O ZINC000432236705 567139940 /nfs/dbraw/zinc/13/99/40/567139940.db2.gz WNCFYYZDWHEFCQ-INIZCTEOSA-N -1 3 384.288 3.399 20 0 GGADHM CC1=CCN(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000546576122 567139953 /nfs/dbraw/zinc/13/99/53/567139953.db2.gz SVYXQHLOOBTHLA-UHFFFAOYSA-N -1 3 393.734 3.033 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000683629729 567140591 /nfs/dbraw/zinc/14/05/91/567140591.db2.gz CCUIQFPGPHFTLM-SNVBAGLBSA-N -1 3 379.185 3.358 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000588845508 567140701 /nfs/dbraw/zinc/14/07/01/567140701.db2.gz AYLFKZNUKGLADT-UHFFFAOYSA-N -1 3 389.342 3.282 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)c(Cl)c1Cl)c1cccs1 ZINC000432256174 567141487 /nfs/dbraw/zinc/14/14/87/567141487.db2.gz RUUHUUFDBDRTQD-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM C[C@@H](NC(=O)CCc1cc(Cl)cs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823664 567141525 /nfs/dbraw/zinc/14/15/25/567141525.db2.gz RJLDQZFCSBVJAN-WDEREUQCSA-N -1 3 381.885 3.214 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2noc(C)n2)c2ccc(Cl)cc2)s1 ZINC000546597999 567141552 /nfs/dbraw/zinc/14/15/52/567141552.db2.gz KVDJHKMWPNOFLJ-AWEZNQCLSA-N -1 3 398.897 3.118 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1sccc1Br)N1CCCC[C@@H]1C ZINC000614799220 567141903 /nfs/dbraw/zinc/14/19/03/567141903.db2.gz HZFFFFFTGHJMBY-WDEREUQCSA-N -1 3 381.361 3.052 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)s1 ZINC000546598005 567141992 /nfs/dbraw/zinc/14/19/92/567141992.db2.gz KVDJHKMWPNOFLJ-CQSZACIVSA-N -1 3 398.897 3.118 20 0 GGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)c(F)c1 ZINC000636319047 567142482 /nfs/dbraw/zinc/14/24/82/567142482.db2.gz KHCYLXZEEDCNSE-UHFFFAOYSA-N -1 3 380.217 3.281 20 0 GGADHM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000474173744 567143258 /nfs/dbraw/zinc/14/32/58/567143258.db2.gz JRZMLMGZZZTQLK-SNVBAGLBSA-N -1 3 398.834 3.037 20 0 GGADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000498021753 567143743 /nfs/dbraw/zinc/14/37/43/567143743.db2.gz HTBWATTVCPPTDV-UHFFFAOYSA-N -1 3 399.295 3.405 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000474188626 567144775 /nfs/dbraw/zinc/14/47/75/567144775.db2.gz IDZZSBHXHUBCPF-HNNXBMFYSA-N -1 3 390.864 3.034 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO[C@H]1C1CC1 ZINC000546633668 567144876 /nfs/dbraw/zinc/14/48/76/567144876.db2.gz HRWQJAWXZHKTTH-GJZGRUSLSA-N -1 3 392.290 3.072 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1cccc(Cl)c1F ZINC000432280483 567145441 /nfs/dbraw/zinc/14/54/41/567145441.db2.gz QVHBKUGXIZAZFF-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)sc1Cl ZINC000432284772 567145945 /nfs/dbraw/zinc/14/59/45/567145945.db2.gz RHRMNAAOGIUZKA-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1C(=O)OC(C)C ZINC000588944761 567146060 /nfs/dbraw/zinc/14/60/60/567146060.db2.gz LXZXLRLABMJMSX-UHFFFAOYSA-N -1 3 382.869 3.140 20 0 GGADHM Cc1c2cc(Br)ccc2sc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614915495 567146245 /nfs/dbraw/zinc/14/62/45/567146245.db2.gz XELMNMWANZTEMH-UHFFFAOYSA-N -1 3 394.294 3.358 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOCc2ccccc2)s1 ZINC000474201295 567146626 /nfs/dbraw/zinc/14/66/26/567146626.db2.gz XBNBOSABFXGJRA-UHFFFAOYSA-N -1 3 390.324 3.314 20 0 GGADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000432302306 567147061 /nfs/dbraw/zinc/14/70/61/567147061.db2.gz ZOHBREJJOUWVMR-UHFFFAOYSA-N -1 3 391.331 3.106 20 0 GGADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000636356425 567147145 /nfs/dbraw/zinc/14/71/45/567147145.db2.gz XBJJLTMAROGCBS-LBPRGKRZSA-N -1 3 380.857 3.479 20 0 GGADHM COc1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(OC)n1 ZINC000683708325 567147516 /nfs/dbraw/zinc/14/75/16/567147516.db2.gz DQAUKLSHGCIHBS-UHFFFAOYSA-N -1 3 377.249 3.348 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636360416 567147999 /nfs/dbraw/zinc/14/79/99/567147999.db2.gz WFCBSPKUWMVJKT-JTQLQIEISA-N -1 3 399.270 3.116 20 0 GGADHM COc1nc(C)c(Br)cc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636360417 567148767 /nfs/dbraw/zinc/14/87/67/567148767.db2.gz WFCBSPKUWMVJKT-SNVBAGLBSA-N -1 3 399.270 3.116 20 0 GGADHM CCC[C@H](C)S(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000566333579 567149857 /nfs/dbraw/zinc/14/98/57/567149857.db2.gz IFBIFQRQVCWFLH-JTQLQIEISA-N -1 3 388.287 3.107 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Br)ccc2Cl)o1 ZINC000498073796 567149945 /nfs/dbraw/zinc/14/99/45/567149945.db2.gz NYFKTXBTXJDQGP-UHFFFAOYSA-N -1 3 378.631 3.351 20 0 GGADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc2nc(SCCO)oc2c1 ZINC000498081955 567150331 /nfs/dbraw/zinc/15/03/31/567150331.db2.gz IIIZSPUXOORMCV-UHFFFAOYSA-N -1 3 384.866 3.366 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@@H]1c1ccccc1 ZINC000546715565 567150689 /nfs/dbraw/zinc/15/06/89/567150689.db2.gz KQOUJRNZQBBKRL-CQSZACIVSA-N -1 3 398.937 3.434 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000546715405 567151124 /nfs/dbraw/zinc/15/11/24/567151124.db2.gz IFTSHIGDWDTBIC-GDBMZVCRSA-N -1 3 378.519 3.169 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000683760874 567151599 /nfs/dbraw/zinc/15/15/99/567151599.db2.gz UDJDXEIQBWQEQK-NSHDSACASA-N -1 3 375.780 3.039 20 0 GGADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000683759395 567152059 /nfs/dbraw/zinc/15/20/59/567152059.db2.gz PLNHCDCIBUSQKC-UHFFFAOYSA-N -1 3 385.869 3.105 20 0 GGADHM N=c1nc(N2CCN(CCCCc3ccc(Cl)c(Cl)c3)CC2)s[n-]1 ZINC000474266679 567152359 /nfs/dbraw/zinc/15/23/59/567152359.db2.gz NQDRPTWCRFKZFH-UHFFFAOYSA-N -1 3 386.352 3.402 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc2cnccc2c1)c1ccc(Cl)s1 ZINC000683773528 567153087 /nfs/dbraw/zinc/15/30/87/567153087.db2.gz GAZAWNXKSJOABR-UHFFFAOYSA-N -1 3 381.910 3.018 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1CC(OCc2ccccc2)C1 ZINC000683761296 567153219 /nfs/dbraw/zinc/15/32/19/567153219.db2.gz ZDZCOYAQOIRWCA-UHFFFAOYSA-N -1 3 381.881 3.375 20 0 GGADHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000432362086 567153430 /nfs/dbraw/zinc/15/34/30/567153430.db2.gz HNCRYMPAXLNWSE-UHFFFAOYSA-N -1 3 381.837 3.271 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n(C2CCN(C)CC2)n1 ZINC000432360575 567153491 /nfs/dbraw/zinc/15/34/91/567153491.db2.gz WEOVWAWUMSDRMI-UHFFFAOYSA-N -1 3 386.880 3.052 20 0 GGADHM CCC(CC)c1nnc([N-]C(=O)c2cc3ncc(Br)cn3n2)s1 ZINC000636493755 567153955 /nfs/dbraw/zinc/15/39/55/567153955.db2.gz ILVDTEZWBOZLPD-UHFFFAOYSA-N -1 3 395.286 3.499 20 0 GGADHM CCCCCc1nnc([N-]C(=O)c2cc3ncc(Br)cn3n2)s1 ZINC000636493258 567154090 /nfs/dbraw/zinc/15/40/90/567154090.db2.gz PPDBZIHWFWTNNY-UHFFFAOYSA-N -1 3 395.286 3.328 20 0 GGADHM O=S(=O)([N-]CCOc1ncc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000474296082 567156242 /nfs/dbraw/zinc/15/62/42/567156242.db2.gz UMMZVCVYSQXBKH-UHFFFAOYSA-N -1 3 383.203 3.024 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(F)cc1F ZINC000523417220 567157367 /nfs/dbraw/zinc/15/73/67/567157367.db2.gz VKCLDMZHYRSMSG-LBPRGKRZSA-N -1 3 375.418 3.243 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)cc1 ZINC000523418510 567157648 /nfs/dbraw/zinc/15/76/48/567157648.db2.gz WVVFCKMXCFVYPS-INIZCTEOSA-N -1 3 388.555 3.182 20 0 GGADHM COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(Br)c1 ZINC000589136567 567158616 /nfs/dbraw/zinc/15/86/16/567158616.db2.gz ZGXQJQQUYFPHON-UHFFFAOYSA-N -1 3 399.266 3.082 20 0 GGADHM COc1cc(OC)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000566450876 567159651 /nfs/dbraw/zinc/15/96/51/567159651.db2.gz LPSDEHVEUVTMPE-UHFFFAOYSA-N -1 3 394.225 3.092 20 0 GGADHM COCCC(C)(C)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000546782250 567159880 /nfs/dbraw/zinc/15/98/80/567159880.db2.gz MKGHIFVDISJAOM-UHFFFAOYSA-N -1 3 385.507 3.029 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546801173 567161430 /nfs/dbraw/zinc/16/14/30/567161430.db2.gz BETAOIWORPRNFM-VXGBXAGGSA-N -1 3 393.347 3.077 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546801172 567161475 /nfs/dbraw/zinc/16/14/75/567161475.db2.gz BETAOIWORPRNFM-TXEJJXNPSA-N -1 3 393.347 3.077 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1nccs1 ZINC000523566374 567161946 /nfs/dbraw/zinc/16/19/46/567161946.db2.gz VDCKKTFCENVTBK-INIZCTEOSA-N -1 3 399.925 3.285 20 0 GGADHM CCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474366305 567162140 /nfs/dbraw/zinc/16/21/40/567162140.db2.gz ASZIEVIIUKCQRD-ZDUSSCGKSA-N -1 3 379.309 3.208 20 0 GGADHM CCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474366304 567162184 /nfs/dbraw/zinc/16/21/84/567162184.db2.gz ASZIEVIIUKCQRD-CYBMUJFWSA-N -1 3 379.309 3.208 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615128183 567162304 /nfs/dbraw/zinc/16/23/04/567162304.db2.gz NFMQEVSCGLXUNF-LBPRGKRZSA-N -1 3 397.656 3.497 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1cc2cccc(F)c2o1 ZINC000474369377 567163577 /nfs/dbraw/zinc/16/35/77/567163577.db2.gz ANUYPNPMJFJEPU-SECBINFHSA-N -1 3 383.422 3.460 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000546823248 567163629 /nfs/dbraw/zinc/16/36/29/567163629.db2.gz HUNWDECQIUCBBF-UHFFFAOYSA-N -1 3 388.265 3.392 20 0 GGADHM Cc1cc(Br)cn2cc(CCNC(=O)c3ccc([O-])c(C)c3)nc12 ZINC000546823907 567163670 /nfs/dbraw/zinc/16/36/70/567163670.db2.gz RINFCTMVEUTDJG-UHFFFAOYSA-N -1 3 388.265 3.392 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)c2cccs2)CCN1c1ccc(Cl)cc1Cl ZINC000474374770 567163646 /nfs/dbraw/zinc/16/36/46/567163646.db2.gz KEMKIGCWTBSEEC-LLVKDONJSA-N -1 3 391.301 3.139 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)CC2CCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000474367816 567163798 /nfs/dbraw/zinc/16/37/98/567163798.db2.gz FVZAERHNBLCHMQ-AWEZNQCLSA-N -1 3 391.320 3.208 20 0 GGADHM COCCOCCS(=O)(=O)[N-]c1ccc(Cl)cc1Nc1ccccc1 ZINC000432495806 567164095 /nfs/dbraw/zinc/16/40/95/567164095.db2.gz SBPBMTMKPVIPHC-UHFFFAOYSA-N -1 3 384.885 3.488 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cccs2)CCN1c1ccc(Cl)cc1Cl ZINC000474374771 567164337 /nfs/dbraw/zinc/16/43/37/567164337.db2.gz KEMKIGCWTBSEEC-NSHDSACASA-N -1 3 391.301 3.139 20 0 GGADHM C[C@@H]1CC=C(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC1 ZINC000454331203 567164398 /nfs/dbraw/zinc/16/43/98/567164398.db2.gz AASSFKOWOIRSLV-LLVKDONJSA-N -1 3 376.400 3.212 20 0 GGADHM CCSc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cn1 ZINC000566534000 567164500 /nfs/dbraw/zinc/16/45/00/567164500.db2.gz KMBANZZEKQXTEP-UHFFFAOYSA-N -1 3 376.463 3.282 20 0 GGADHM COc1c(Cl)cc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1Cl ZINC000566534549 567165084 /nfs/dbraw/zinc/16/50/84/567165084.db2.gz KDJIVMMFLSQTME-UHFFFAOYSA-N -1 3 382.187 3.323 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccccn1 ZINC000566539183 567165170 /nfs/dbraw/zinc/16/51/70/567165170.db2.gz WPAZCSSFLQQXFN-HAQNSBGRSA-N -1 3 385.258 3.208 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@H]1CCCO1 ZINC000683954706 567165377 /nfs/dbraw/zinc/16/53/77/567165377.db2.gz LENWKNOVCKUQTJ-QWHCGFSZSA-N -1 3 382.309 3.083 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000474379152 567165508 /nfs/dbraw/zinc/16/55/08/567165508.db2.gz YJWBJNBWOLYBPM-UHFFFAOYSA-N -1 3 378.372 3.404 20 0 GGADHM CC(C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474379675 567165524 /nfs/dbraw/zinc/16/55/24/567165524.db2.gz ZSFNQBNQKUIWAU-CYBMUJFWSA-N -1 3 379.309 3.064 20 0 GGADHM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1(C)C ZINC000474378636 567165537 /nfs/dbraw/zinc/16/55/37/567165537.db2.gz RJZDXDOKARZEND-MLGOLLRUSA-N -1 3 396.336 3.146 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cncc(F)c1 ZINC000474380209 567165616 /nfs/dbraw/zinc/16/56/16/567165616.db2.gz YSJZEPVUESKHLJ-GFCCVEGCSA-N -1 3 390.267 3.085 20 0 GGADHM CCn1cccc(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1=O ZINC000683950761 567165669 /nfs/dbraw/zinc/16/56/69/567165669.db2.gz QLSXITRPAHIWHK-UHFFFAOYSA-N -1 3 389.304 3.270 20 0 GGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474375940 567165630 /nfs/dbraw/zinc/16/56/30/567165630.db2.gz LVMHTVNFZZAFOE-ZWNOBZJWSA-N -1 3 379.309 3.064 20 0 GGADHM CCN(Cc1ccncc1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000523650380 567165743 /nfs/dbraw/zinc/16/57/43/567165743.db2.gz CKRICVFJDZVSFL-UHFFFAOYSA-N -1 3 386.249 3.348 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)s1 ZINC000474387781 567167041 /nfs/dbraw/zinc/16/70/41/567167041.db2.gz IAENELADWMEPRS-SECBINFHSA-N -1 3 383.422 3.460 20 0 GGADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523694614 567168115 /nfs/dbraw/zinc/16/81/15/567168115.db2.gz CWKDEQWJCNFGLN-VIFPVBQESA-N -1 3 382.898 3.075 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)OC ZINC000546888709 567168254 /nfs/dbraw/zinc/16/82/54/567168254.db2.gz JNKFNDAOQDMYSY-LLVKDONJSA-N -1 3 384.281 3.012 20 0 GGADHM COCc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[n-]1 ZINC000474395388 567168732 /nfs/dbraw/zinc/16/87/32/567168732.db2.gz WKIXEUBROKGDTO-UHFFFAOYSA-N -1 3 380.779 3.354 20 0 GGADHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1sccc1Br ZINC000615205623 567169009 /nfs/dbraw/zinc/16/90/09/567169009.db2.gz RUMDPLHUBXQRDO-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM COc1cc(Br)cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000498341952 567169360 /nfs/dbraw/zinc/16/93/60/567169360.db2.gz CZZWBXJYRRGKOK-UHFFFAOYSA-N -1 3 399.266 3.082 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(F)cccc1F ZINC000523733700 567169374 /nfs/dbraw/zinc/16/93/74/567169374.db2.gz KTEUYYVYCISEHN-CQSZACIVSA-N -1 3 392.830 3.339 20 0 GGADHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(C)C ZINC000523735325 567169713 /nfs/dbraw/zinc/16/97/13/567169713.db2.gz GRSNUZOAVMWXFL-CQSZACIVSA-N -1 3 384.299 3.223 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC)cc2)c1 ZINC000546903190 567169910 /nfs/dbraw/zinc/16/99/10/567169910.db2.gz CCJIOLWYTPCUTC-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cncc(N2CCCC2)n1 ZINC000636923651 567171156 /nfs/dbraw/zinc/17/11/56/567171156.db2.gz OFXSIOBRIVGTFM-UHFFFAOYSA-N -1 3 383.196 3.370 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@H](C)Cn2cccn2)c1Cl ZINC000615244905 567171851 /nfs/dbraw/zinc/17/18/51/567171851.db2.gz XHSKFVXRMZYYCR-SNVBAGLBSA-N -1 3 376.309 3.421 20 0 GGADHM COc1ccc(CNc2ccc(Br)cn2)c(Br)c1[O-] ZINC000546912944 567172306 /nfs/dbraw/zinc/17/23/06/567172306.db2.gz PFPDKECCHUOFAX-UHFFFAOYSA-N -1 3 388.059 3.355 20 0 GGADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000615252726 567173047 /nfs/dbraw/zinc/17/30/47/567173047.db2.gz HGYRGZIJKVQGIF-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)n1 ZINC000589301989 567173949 /nfs/dbraw/zinc/17/39/49/567173949.db2.gz APNGGIQOFILNBR-UHFFFAOYSA-N -1 3 380.294 3.408 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)s1 ZINC000615269893 567175285 /nfs/dbraw/zinc/17/52/85/567175285.db2.gz JMNMYDJFSHJWQW-UHFFFAOYSA-N -1 3 394.543 3.120 20 0 GGADHM COCC[C@H](Cc1ccco1)NCc1ccc(OC)c([O-])c1Br ZINC000546962941 567175627 /nfs/dbraw/zinc/17/56/27/567175627.db2.gz OFZXBGFVMVKSDU-CYBMUJFWSA-N -1 3 384.270 3.494 20 0 GGADHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000615275625 567175760 /nfs/dbraw/zinc/17/57/60/567175760.db2.gz PAWLKIDDSJETDF-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COc1ccc(CN(C)CC(=O)Nc2ccccc2)c(Br)c1[O-] ZINC000546976305 567177156 /nfs/dbraw/zinc/17/71/56/567177156.db2.gz DEBZFYXGXWIWBO-UHFFFAOYSA-N -1 3 379.254 3.234 20 0 GGADHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000615303933 567177424 /nfs/dbraw/zinc/17/74/24/567177424.db2.gz UGDAQFHCJXLCIN-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1csc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000684100694 567178776 /nfs/dbraw/zinc/17/87/76/567178776.db2.gz FGBOMELMASPEAE-CQSZACIVSA-N -1 3 394.440 3.277 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cs1 ZINC000684106055 567179270 /nfs/dbraw/zinc/17/92/70/567179270.db2.gz OUTPAVQLJWCUFX-INIZCTEOSA-N -1 3 396.925 3.047 20 0 GGADHM O=C(CCOc1ccccc1Br)Nc1cccc(-c2nnn[n-]2)c1 ZINC000615345990 567180533 /nfs/dbraw/zinc/18/05/33/567180533.db2.gz MCVJEBKDQOSBAL-UHFFFAOYSA-N -1 3 388.225 3.037 20 0 GGADHM O=C(CCOc1ccccc1Br)Nc1cccc(-c2nn[n-]n2)c1 ZINC000615345990 567180536 /nfs/dbraw/zinc/18/05/36/567180536.db2.gz MCVJEBKDQOSBAL-UHFFFAOYSA-N -1 3 388.225 3.037 20 0 GGADHM COC(=O)c1cnc(SCC(=O)Nc2nc(-c3cccs3)cs2)[n-]1 ZINC000432674582 567180621 /nfs/dbraw/zinc/18/06/21/567180621.db2.gz CBFLOFGBOIPQOA-UHFFFAOYSA-N -1 3 380.476 3.112 20 0 GGADHM O=S(=O)([N-]Cc1nc(CC2CCCCC2)no1)c1ccc(Cl)s1 ZINC000547069773 567181223 /nfs/dbraw/zinc/18/12/23/567181223.db2.gz XMJIMYNTKLVEIG-UHFFFAOYSA-N -1 3 375.903 3.386 20 0 GGADHM Cc1nc(C)c(Cc2nc(Cc3ccc(F)c(Br)c3)no2)c(=O)[n-]1 ZINC000547084967 567183527 /nfs/dbraw/zinc/18/35/27/567183527.db2.gz KNIDVUUILWFEKU-UHFFFAOYSA-N -1 3 393.216 3.265 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC000615406685 567183470 /nfs/dbraw/zinc/18/34/70/567183470.db2.gz WPMRPXGORCYFNC-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCC(C)(C)c1ccccc1 ZINC000615443990 567184257 /nfs/dbraw/zinc/18/42/57/567184257.db2.gz LMWYOCKWKOOPSX-UHFFFAOYSA-N -1 3 381.519 3.489 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000615445736 567184971 /nfs/dbraw/zinc/18/49/71/567184971.db2.gz XIGDWBMVXRMVDQ-UHFFFAOYSA-N -1 3 383.466 3.340 20 0 GGADHM Cn1nccc1Cc1noc(-c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000547130567 567185227 /nfs/dbraw/zinc/18/52/27/567185227.db2.gz QFKOFUOEYWZZAE-UHFFFAOYSA-N -1 3 385.225 3.214 20 0 GGADHM Cn1nccc1Cc1noc(-c2[n-]nc(-c3ccccc3)c2Br)n1 ZINC000547130567 567185234 /nfs/dbraw/zinc/18/52/34/567185234.db2.gz QFKOFUOEYWZZAE-UHFFFAOYSA-N -1 3 385.225 3.214 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000524189045 567186235 /nfs/dbraw/zinc/18/62/35/567186235.db2.gz SKMCGAXMDXLEEP-ZDUSSCGKSA-N -1 3 387.910 3.488 20 0 GGADHM Cc1cc(Br)ccc1Cc1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000547177935 567188239 /nfs/dbraw/zinc/18/82/39/567188239.db2.gz NLQKZWROAOVLCG-UHFFFAOYSA-N -1 3 389.253 3.435 20 0 GGADHM C[C@H](OCCC[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000524235832 567188505 /nfs/dbraw/zinc/18/85/05/567188505.db2.gz QOCZFOSOGMBHDD-ZDUSSCGKSA-N -1 3 399.310 3.290 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)oc2C)c(Br)c1 ZINC000566770027 567188859 /nfs/dbraw/zinc/18/88/59/567188859.db2.gz CHCBQFRKYLSJOO-UHFFFAOYSA-N -1 3 388.239 3.246 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)cc1Cl ZINC000432775677 567188950 /nfs/dbraw/zinc/18/89/50/567188950.db2.gz WBLACBATGPXLET-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM CN(C)C(=O)c1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000566784270 567190147 /nfs/dbraw/zinc/19/01/47/567190147.db2.gz QBQOBSDMSZAAJK-DOTOQJQBSA-N -1 3 378.881 3.340 20 0 GGADHM C[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)c1c(Cl)cccc1Cl ZINC000589696030 567190442 /nfs/dbraw/zinc/19/04/42/567190442.db2.gz YBWPOWUWMZKEGL-NSHDSACASA-N -1 3 381.259 3.349 20 0 GGADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc([C@H]3CCCCS3)no2)ccc1F ZINC000547225359 567191149 /nfs/dbraw/zinc/19/11/49/567191149.db2.gz JQFBURNFPVMNHR-CYBMUJFWSA-N -1 3 383.470 3.275 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)cs1 ZINC000524312569 567191588 /nfs/dbraw/zinc/19/15/88/567191588.db2.gz ZKBFXFLJSGUKAN-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000524313785 567191792 /nfs/dbraw/zinc/19/17/92/567191792.db2.gz MCDSUBYOFVDBRJ-UHFFFAOYSA-N -1 3 395.750 3.113 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C)c3ccccc3n2)c1 ZINC000524290672 567191950 /nfs/dbraw/zinc/19/19/50/567191950.db2.gz ISDBVDGNKUISCJ-UHFFFAOYSA-N -1 3 377.853 3.079 20 0 GGADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1ccc(Br)c(F)c1 ZINC000566818721 567192561 /nfs/dbraw/zinc/19/25/61/567192561.db2.gz BPZBDSYBRYPKDQ-JTQLQIEISA-N -1 3 386.242 3.043 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000524312953 567192773 /nfs/dbraw/zinc/19/27/73/567192773.db2.gz SQLAFDZPUSXFBI-LLVKDONJSA-N -1 3 395.750 3.113 20 0 GGADHM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000432787043 567192913 /nfs/dbraw/zinc/19/29/13/567192913.db2.gz QVSBCLCUIBDWPJ-KZULUSFZSA-N -1 3 388.265 3.012 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(-c3cscn3)c2)no1 ZINC000547263085 567194471 /nfs/dbraw/zinc/19/44/71/567194471.db2.gz HAEXUJHVHYUGHI-UHFFFAOYSA-N -1 3 378.479 3.080 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000684275186 567196137 /nfs/dbraw/zinc/19/61/37/567196137.db2.gz QJLAWDOKFDSZFH-AWEZNQCLSA-N -1 3 376.400 3.092 20 0 GGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000474770582 567197651 /nfs/dbraw/zinc/19/76/51/567197651.db2.gz GBLMDNALIFEMCM-UHFFFAOYSA-N -1 3 385.203 3.076 20 0 GGADHM CC(C)CCOCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589889239 567197990 /nfs/dbraw/zinc/19/79/90/567197990.db2.gz KHUNLBROUMPOEX-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000589919392 567198124 /nfs/dbraw/zinc/19/81/24/567198124.db2.gz RAYZTUVHPXVLMT-ZDUSSCGKSA-N -1 3 375.437 3.276 20 0 GGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cc1c(Cl)cccc1Cl ZINC000474779947 567198782 /nfs/dbraw/zinc/19/87/82/567198782.db2.gz ZIWDDYFATBWTNJ-UHFFFAOYSA-N -1 3 385.203 3.076 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3cc(C)cc(C)n3)nc(=O)c2c1C ZINC000615683549 567199452 /nfs/dbraw/zinc/19/94/52/567199452.db2.gz RXGGDAABSIPZGM-UHFFFAOYSA-N -1 3 375.475 3.384 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000566883708 567199526 /nfs/dbraw/zinc/19/95/26/567199526.db2.gz LEIYBPYJJBWQBX-OAHLLOKOSA-N -1 3 389.926 3.448 20 0 GGADHM CCOc1cc(Br)c(F)cc1[N-]C(=O)c1cc(C(=O)OC)no1 ZINC000589981081 567200879 /nfs/dbraw/zinc/20/08/79/567200879.db2.gz BCOXRAPVQDTUHQ-UHFFFAOYSA-N -1 3 387.161 3.014 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)sc1Br ZINC000547340484 567201986 /nfs/dbraw/zinc/20/19/86/567201986.db2.gz UPNJPBKMUKIQKI-JSGCOSHPSA-N -1 3 394.356 3.303 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c(Cl)c1Cl ZINC000547340956 567203495 /nfs/dbraw/zinc/20/34/95/567203495.db2.gz ZJURVWKVJWVPNX-CVEARBPZSA-N -1 3 394.320 3.486 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000547343361 567203547 /nfs/dbraw/zinc/20/35/47/567203547.db2.gz GSOYZUPMRWPDPW-CABCVRRESA-N -1 3 381.391 3.328 20 0 GGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590047902 567203655 /nfs/dbraw/zinc/20/36/55/567203655.db2.gz KYWNEQKPJIBEEV-CHWSQXEVSA-N -1 3 392.974 3.401 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CN(C)C[C@@H]2c2ccccc2)c(Cl)cc1F ZINC000498848261 567204684 /nfs/dbraw/zinc/20/46/84/567204684.db2.gz CDMNENDIGPKDNX-PBHICJAKSA-N -1 3 382.888 3.164 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000566950852 567204897 /nfs/dbraw/zinc/20/48/97/567204897.db2.gz YOJWXPJAGYTHMR-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(I)ccc1F ZINC000474860077 567205216 /nfs/dbraw/zinc/20/52/16/567205216.db2.gz NZYKKFUQHXMXKG-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(I)ccc1F ZINC000474860077 567205219 /nfs/dbraw/zinc/20/52/19/567205219.db2.gz NZYKKFUQHXMXKG-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(I)ccc1F ZINC000474860077 567205220 /nfs/dbraw/zinc/20/52/20/567205220.db2.gz NZYKKFUQHXMXKG-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000590071249 567205344 /nfs/dbraw/zinc/20/53/44/567205344.db2.gz UMAAZORBXLNWOG-CZUORRHYSA-N -1 3 380.535 3.245 20 0 GGADHM Cc1cnccc1C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000474878822 567206860 /nfs/dbraw/zinc/20/68/60/567206860.db2.gz ACJGNLKGQUVODT-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 ZINC000524711401 567209746 /nfs/dbraw/zinc/20/97/46/567209746.db2.gz VQIPKGHJQKUZKT-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)sc1Br ZINC000498905866 567210260 /nfs/dbraw/zinc/21/02/60/567210260.db2.gz DTKFCIRQMOCORD-LLVKDONJSA-N -1 3 386.292 3.425 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)c2ccccc21 ZINC000498910578 567211467 /nfs/dbraw/zinc/21/14/67/567211467.db2.gz ZXOHOKAXLJXJMN-ZDUSSCGKSA-N -1 3 384.226 3.194 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1cccs1 ZINC000590153385 567212204 /nfs/dbraw/zinc/21/22/04/567212204.db2.gz YHLNNGWHTNRTHN-ZDUSSCGKSA-N -1 3 389.445 3.410 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1cc(F)ccc1F ZINC000524869917 567218151 /nfs/dbraw/zinc/21/81/51/567218151.db2.gz COAFLHWFMDCFBZ-LBPRGKRZSA-N -1 3 375.418 3.243 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nnc3n2CCCC3)c1Cl ZINC000684591694 567219237 /nfs/dbraw/zinc/21/92/37/567219237.db2.gz YXHJBKMSMXVLMD-UHFFFAOYSA-N -1 3 389.308 3.017 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000499047634 567221331 /nfs/dbraw/zinc/22/13/31/567221331.db2.gz AUBFZTIDKPPKLO-UHFFFAOYSA-N -1 3 395.278 3.418 20 0 GGADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(F)c(F)cc1Br ZINC000433104526 567222501 /nfs/dbraw/zinc/22/25/01/567222501.db2.gz XQADVZZOKNSBLI-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000433108856 567224232 /nfs/dbraw/zinc/22/42/32/567224232.db2.gz BCAXFMRXWNGPAC-UHFFFAOYSA-N -1 3 382.869 3.375 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000590393950 567224567 /nfs/dbraw/zinc/22/45/67/567224567.db2.gz OHRBXROPENHXEG-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM COc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1O ZINC000684658207 567225049 /nfs/dbraw/zinc/22/50/49/567225049.db2.gz WYMFWQXAVORVNE-UHFFFAOYSA-N -1 3 376.261 3.229 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cs1 ZINC000684656937 567225755 /nfs/dbraw/zinc/22/57/55/567225755.db2.gz DAEKVIYIWHBRFL-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000433128273 567225810 /nfs/dbraw/zinc/22/58/10/567225810.db2.gz ABZFKFKEWGDQON-UHFFFAOYSA-N -1 3 391.873 3.133 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000499114181 567226076 /nfs/dbraw/zinc/22/60/76/567226076.db2.gz MGQHIJWVOMEJEH-LBPRGKRZSA-N -1 3 385.265 3.473 20 0 GGADHM O=C([O-])[C@@H]1CN(CCOCC(F)(F)C(F)F)C[C@H]1c1ccc(Cl)cc1 ZINC000659796597 567226266 /nfs/dbraw/zinc/22/62/66/567226266.db2.gz GCNFPRHJEZBKOT-QWHCGFSZSA-N -1 3 383.769 3.357 20 0 GGADHM O=C([O-])[C@]12CN(Cc3cc4c(c(Br)c3)OCO4)C[C@H]1CCCC2 ZINC000659799723 567226399 /nfs/dbraw/zinc/22/63/99/567226399.db2.gz NFYQBLZXCHQEFM-SJKOYZFVSA-N -1 3 382.254 3.255 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660152 567226544 /nfs/dbraw/zinc/22/65/44/567226544.db2.gz QPLVEKPWHUUEDF-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccnn1C ZINC000684661531 567226972 /nfs/dbraw/zinc/22/69/72/567226972.db2.gz XIULJIZAXRDJOP-GFCCVEGCSA-N -1 3 376.309 3.445 20 0 GGADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000433159478 567227583 /nfs/dbraw/zinc/22/75/83/567227583.db2.gz LZUJNLKYPHFSOU-UHFFFAOYSA-N -1 3 380.832 3.228 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c[nH]c2ccc(Br)cc12 ZINC000590498711 567228433 /nfs/dbraw/zinc/22/84/33/567228433.db2.gz KNGDSKINKBEKSL-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1c[nH]c2ccc(Br)cc12 ZINC000590498711 567228437 /nfs/dbraw/zinc/22/84/37/567228437.db2.gz KNGDSKINKBEKSL-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1c[nH]c2ccc(Br)cc12 ZINC000590498711 567228444 /nfs/dbraw/zinc/22/84/44/567228444.db2.gz KNGDSKINKBEKSL-UHFFFAOYSA-N -1 3 383.209 3.363 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000567223674 567228672 /nfs/dbraw/zinc/22/86/72/567228672.db2.gz SUGXXKOEWBOHEF-JOCHJYFZSA-N -1 3 379.837 3.298 20 0 GGADHM COC(C)(C)C[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525167446 567230449 /nfs/dbraw/zinc/23/04/49/567230449.db2.gz GBNMYSLKWNMPBD-JTQLQIEISA-N -1 3 381.270 3.224 20 0 GGADHM CCC(CC)[C@@H](C(=O)Nc1ccc(Br)cc1[O-])N1CCOCC1 ZINC000525161406 567231041 /nfs/dbraw/zinc/23/10/41/567231041.db2.gz HRVUCCPUNMQUMH-INIZCTEOSA-N -1 3 385.302 3.230 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000567264595 567231897 /nfs/dbraw/zinc/23/18/97/567231897.db2.gz DULQIIRJSKBORO-RKDXNWHRSA-N -1 3 384.242 3.156 20 0 GGADHM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557745 567231975 /nfs/dbraw/zinc/23/19/75/567231975.db2.gz IBYCGPPZZRVKSX-UHFFFAOYSA-N -1 3 375.837 3.477 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2csc(C)n2)c(Cl)c1Cl ZINC000525184173 567232410 /nfs/dbraw/zinc/23/24/10/567232410.db2.gz UFOPETXQSMYCHW-UHFFFAOYSA-N -1 3 381.306 3.288 20 0 GGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590592252 567233758 /nfs/dbraw/zinc/23/37/58/567233758.db2.gz RGLBLTZJBXMZKT-NEPJUHHUSA-N -1 3 378.947 3.155 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCC(C)(C)C)c(Br)c1 ZINC000525189487 567234130 /nfs/dbraw/zinc/23/41/30/567234130.db2.gz ISOATSXRGPILCV-UHFFFAOYSA-N -1 3 392.315 3.340 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000590592255 567234152 /nfs/dbraw/zinc/23/41/52/567234152.db2.gz RGLBLTZJBXMZKT-VXGBXAGGSA-N -1 3 378.947 3.155 20 0 GGADHM CN1CCC(n2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)n2)CC1 ZINC000567293321 567234962 /nfs/dbraw/zinc/23/49/62/567234962.db2.gz GPFXCJMUHZCMJT-UHFFFAOYSA-N -1 3 394.444 3.031 20 0 GGADHM COc1cc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)ccc1Br ZINC000499275596 567235447 /nfs/dbraw/zinc/23/54/47/567235447.db2.gz VDSKJBXCUYNWMV-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)s1 ZINC000684764433 567235658 /nfs/dbraw/zinc/23/56/58/567235658.db2.gz RVBJTQPPRARPCY-DAXOMENPSA-N -1 3 378.519 3.170 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)s1 ZINC000684763197 567235698 /nfs/dbraw/zinc/23/56/98/567235698.db2.gz XAGFUOHVZYEIIY-WKPIXPDZSA-N -1 3 398.937 3.433 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)c[nH]1 ZINC000684765078 567235833 /nfs/dbraw/zinc/23/58/33/567235833.db2.gz UHGGHXRJVZDUQT-QWHCGFSZSA-N -1 3 384.299 3.130 20 0 GGADHM CCc1nc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)cn1CC1CC1 ZINC000659916306 567237778 /nfs/dbraw/zinc/23/77/78/567237778.db2.gz XUZCRODOYNZNPA-INIZCTEOSA-N -1 3 380.539 3.050 20 0 GGADHM CCc1nc(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)cn1CC1CC1 ZINC000659911092 567238834 /nfs/dbraw/zinc/23/88/34/567238834.db2.gz CIJQZXKZHONHRT-UHFFFAOYSA-N -1 3 382.555 3.142 20 0 GGADHM CC1=CCCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000684799529 567238926 /nfs/dbraw/zinc/23/89/26/567238926.db2.gz LRWWNOXVQFPLKK-UHFFFAOYSA-N -1 3 382.532 3.080 20 0 GGADHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)CCOC1 ZINC000659922945 567240641 /nfs/dbraw/zinc/24/06/41/567240641.db2.gz QUWAORYGSDRSIO-MLGOLLRUSA-N -1 3 379.881 3.044 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cc(F)cc2nn[n-]c21 ZINC000433342786 567244243 /nfs/dbraw/zinc/24/42/43/567244243.db2.gz KODZVSIPKXFXAY-CYBMUJFWSA-N -1 3 375.201 3.277 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cc(F)cc2[n-]nnc21 ZINC000433342786 567244246 /nfs/dbraw/zinc/24/42/46/567244246.db2.gz KODZVSIPKXFXAY-CYBMUJFWSA-N -1 3 375.201 3.277 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cc(F)cc2n[n-]nc21 ZINC000433342786 567244251 /nfs/dbraw/zinc/24/42/51/567244251.db2.gz KODZVSIPKXFXAY-CYBMUJFWSA-N -1 3 375.201 3.277 20 0 GGADHM FC(F)(F)c1nsc([N-]c2ccc3nc(N4CCOCC4)sc3c2)n1 ZINC000547762853 567244595 /nfs/dbraw/zinc/24/45/95/567244595.db2.gz FRXHLDPXIORQJT-UHFFFAOYSA-N -1 3 387.412 3.169 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCCO1 ZINC000684916266 567244789 /nfs/dbraw/zinc/24/47/89/567244789.db2.gz QVPYITKMJAGDPS-BXKDBHETSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1ccc(Cl)cc1Br ZINC000684912707 567245194 /nfs/dbraw/zinc/24/51/94/567245194.db2.gz VHLUAQDCFDPQEL-UHFFFAOYSA-N -1 3 396.734 3.324 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000684911193 567245250 /nfs/dbraw/zinc/24/52/50/567245250.db2.gz DWIOVSZQHVCJTR-TVQRCGJNSA-N -1 3 398.834 3.086 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCO[C@@H]1C1CC1 ZINC000684917281 567245354 /nfs/dbraw/zinc/24/53/54/567245354.db2.gz NKLXKGFZEJGYTM-ZIAGYGMSSA-N -1 3 394.718 3.338 20 0 GGADHM CC1(C)CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000475399555 567245399 /nfs/dbraw/zinc/24/53/99/567245399.db2.gz BWSSZZGUUQFEOS-CYBMUJFWSA-N -1 3 378.416 3.292 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3cccc(C)c3n2C)c1 ZINC000475400880 567245539 /nfs/dbraw/zinc/24/55/39/567245539.db2.gz MLYMXGURLSTLFL-UHFFFAOYSA-N -1 3 379.869 3.022 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000684908525 567245947 /nfs/dbraw/zinc/24/59/47/567245947.db2.gz HNSOHEJLFRSOPY-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000547793205 567247296 /nfs/dbraw/zinc/24/72/96/567247296.db2.gz LGFRYJLAWOMGHV-ZDUSSCGKSA-N -1 3 377.853 3.326 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000590792029 567248397 /nfs/dbraw/zinc/24/83/97/567248397.db2.gz QIRQQIJPSKSNOW-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1C ZINC000590793993 567248444 /nfs/dbraw/zinc/24/84/44/567248444.db2.gz HHFSZWWXGARKIG-UHFFFAOYSA-N -1 3 379.379 3.156 20 0 GGADHM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3nnc(SCCO)[n-]3)cc2C1 ZINC000475457580 567249608 /nfs/dbraw/zinc/24/96/08/567249608.db2.gz IBATYVUEQSDIEM-LLVKDONJSA-N -1 3 380.539 3.354 20 0 GGADHM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3nc(SCCO)n[n-]3)cc2C1 ZINC000475457580 567249623 /nfs/dbraw/zinc/24/96/23/567249623.db2.gz IBATYVUEQSDIEM-LLVKDONJSA-N -1 3 380.539 3.354 20 0 GGADHM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3n[n-]c(SCCO)n3)cc2C1 ZINC000475457580 567249628 /nfs/dbraw/zinc/24/96/28/567249628.db2.gz IBATYVUEQSDIEM-LLVKDONJSA-N -1 3 380.539 3.354 20 0 GGADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000475445394 567249912 /nfs/dbraw/zinc/24/99/12/567249912.db2.gz YKORODJSWQAKTD-SSDOTTSWSA-N -1 3 393.321 3.315 20 0 GGADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000475445394 567249920 /nfs/dbraw/zinc/24/99/20/567249920.db2.gz YKORODJSWQAKTD-SSDOTTSWSA-N -1 3 393.321 3.315 20 0 GGADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000475445394 567249926 /nfs/dbraw/zinc/24/99/26/567249926.db2.gz YKORODJSWQAKTD-SSDOTTSWSA-N -1 3 393.321 3.315 20 0 GGADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000475445397 567250286 /nfs/dbraw/zinc/25/02/86/567250286.db2.gz YKORODJSWQAKTD-ZETCQYMHSA-N -1 3 393.321 3.315 20 0 GGADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000475445397 567250291 /nfs/dbraw/zinc/25/02/91/567250291.db2.gz YKORODJSWQAKTD-ZETCQYMHSA-N -1 3 393.321 3.315 20 0 GGADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000475445397 567250294 /nfs/dbraw/zinc/25/02/94/567250294.db2.gz YKORODJSWQAKTD-ZETCQYMHSA-N -1 3 393.321 3.315 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(F)ccc2Br)C[C@H](C)O1 ZINC000567489517 567251640 /nfs/dbraw/zinc/25/16/40/567251640.db2.gz CUFLVMRJXDLAPW-ZSBIGDGJSA-N -1 3 394.306 3.460 20 0 GGADHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OCC ZINC000433475935 567251861 /nfs/dbraw/zinc/25/18/61/567251861.db2.gz VRNRJOJCJBRLNX-JTQLQIEISA-N -1 3 385.379 3.102 20 0 GGADHM COc1ccc(CNCCNC(=O)CC2CCCCC2)c(Br)c1[O-] ZINC000567492986 567252021 /nfs/dbraw/zinc/25/20/21/567252021.db2.gz CLENHRPRTJZUQR-UHFFFAOYSA-N -1 3 399.329 3.340 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)C1CCCC1 ZINC000660054033 567252279 /nfs/dbraw/zinc/25/22/79/567252279.db2.gz NBPVBJXPKFPOBE-CYBMUJFWSA-N -1 3 380.279 3.072 20 0 GGADHM CSC[C@@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000455248782 567252391 /nfs/dbraw/zinc/25/23/91/567252391.db2.gz QCTUYGNMWZNNKS-LLVKDONJSA-N -1 3 383.315 3.126 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1CCCO1 ZINC000433458583 567252437 /nfs/dbraw/zinc/25/24/37/567252437.db2.gz ULXPBONQIJRRGT-OLZOCXBDSA-N -1 3 375.899 3.027 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCCOC2)c1Cl ZINC000660051284 567252787 /nfs/dbraw/zinc/25/27/87/567252787.db2.gz AIIFTFYGLNRWTR-MRXNPFEDSA-N -1 3 396.336 3.148 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1C[C@@H]2CCCC[C@@H]21 ZINC000616731454 567253528 /nfs/dbraw/zinc/25/35/28/567253528.db2.gz MCKYZVKIWSEPQE-FZMZJTMJSA-N -1 3 391.320 3.063 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cc(F)cc2nn[n-]c21 ZINC000433477815 567253741 /nfs/dbraw/zinc/25/37/41/567253741.db2.gz OEZXHPWBNHYXEA-UHFFFAOYSA-N -1 3 375.201 3.279 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cc(F)cc2[n-]nnc21 ZINC000433477815 567253750 /nfs/dbraw/zinc/25/37/50/567253750.db2.gz OEZXHPWBNHYXEA-UHFFFAOYSA-N -1 3 375.201 3.279 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000433477815 567253760 /nfs/dbraw/zinc/25/37/60/567253760.db2.gz OEZXHPWBNHYXEA-UHFFFAOYSA-N -1 3 375.201 3.279 20 0 GGADHM C[C@@]12CN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000455254161 567253827 /nfs/dbraw/zinc/25/38/27/567253827.db2.gz WNEJANZRXHLLJD-XHUUTOEUSA-N -1 3 387.281 3.195 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616728342 567254025 /nfs/dbraw/zinc/25/40/25/567254025.db2.gz YNRULFDNMDBSKJ-JSGCOSHPSA-N -1 3 396.559 3.303 20 0 GGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000660061870 567253988 /nfs/dbraw/zinc/25/39/88/567253988.db2.gz DDJQJPTURDZENC-HNNXBMFYSA-N -1 3 396.336 3.153 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000455255775 567254218 /nfs/dbraw/zinc/25/42/18/567254218.db2.gz ZMWOLXQEXXEAFQ-ZBFHGGJFSA-N -1 3 375.270 3.171 20 0 GGADHM O=S(=O)(CCc1ccccc1F)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000660061923 567254203 /nfs/dbraw/zinc/25/42/03/567254203.db2.gz FLNHJQGIDAJOQC-OAHLLOKOSA-N -1 3 392.279 3.328 20 0 GGADHM O=S(=O)([N-]CCNCc1cscc1Cl)c1ccc(Cl)cc1F ZINC000685042568 567254736 /nfs/dbraw/zinc/25/47/36/567254736.db2.gz DPAJOFAFNVZLFM-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000567530921 567254906 /nfs/dbraw/zinc/25/49/06/567254906.db2.gz RTURWXDBLXOGPN-UHFFFAOYSA-N -1 3 375.780 3.135 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000567538311 567255412 /nfs/dbraw/zinc/25/54/12/567255412.db2.gz PCLRKUBGVCWUHA-UHFFFAOYSA-N -1 3 389.901 3.281 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000660064033 567255446 /nfs/dbraw/zinc/25/54/46/567255446.db2.gz ZECVYCZQBOQUGE-JTQLQIEISA-N -1 3 381.306 3.024 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000660063326 567256113 /nfs/dbraw/zinc/25/61/13/567256113.db2.gz SLQZIVDUXFSLPK-BXUZGUMPSA-N -1 3 384.325 3.007 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](OC)[C@H](C)CC)c(F)cc1F ZINC000475535289 567256431 /nfs/dbraw/zinc/25/64/31/567256431.db2.gz GCWOAVDASLORRA-MEBBXXQBSA-N -1 3 378.441 3.116 20 0 GGADHM Cc1c(NCc2cc([O-])ccc2Br)cccc1N1C(=O)CNC1=O ZINC000475566217 567257775 /nfs/dbraw/zinc/25/77/75/567257775.db2.gz SJBFTYBSFLZDRR-UHFFFAOYSA-N -1 3 390.237 3.131 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ncccn1 ZINC000567572096 567257966 /nfs/dbraw/zinc/25/79/66/567257966.db2.gz SQTSRGUCEUZCCD-UHFFFAOYSA-N -1 3 379.791 3.362 20 0 GGADHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(Br)cc3F)nc2c1 ZINC000475571447 567257888 /nfs/dbraw/zinc/25/78/88/567257888.db2.gz MSJSZDNUGDUUQP-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM Cc1ccc(NCc2cc([O-])ccc2Br)cc1N1C(=O)CNC1=O ZINC000475557073 567258075 /nfs/dbraw/zinc/25/80/75/567258075.db2.gz WIJZKIQFZASWBT-UHFFFAOYSA-N -1 3 390.237 3.131 20 0 GGADHM CC(C)(Oc1ccc(Br)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616822948 567258599 /nfs/dbraw/zinc/25/85/99/567258599.db2.gz FBINOHOMBDOPNL-AWEZNQCLSA-N -1 3 394.269 3.242 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1[nH]c2ccccc2c1Br ZINC000616826705 567258734 /nfs/dbraw/zinc/25/87/34/567258734.db2.gz QABCJYBBNWNZAC-GFCCVEGCSA-N -1 3 375.226 3.179 20 0 GGADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)n1 ZINC000475577844 567259148 /nfs/dbraw/zinc/25/91/48/567259148.db2.gz IQJWNQBQQBYRGZ-SECBINFHSA-N -1 3 396.266 3.333 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)Cc1cccs1 ZINC000525698161 567259185 /nfs/dbraw/zinc/25/91/85/567259185.db2.gz NKQSTGUAJNRDEN-NSHDSACASA-N -1 3 398.937 3.443 20 0 GGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC1 ZINC000525702021 567259500 /nfs/dbraw/zinc/25/95/00/567259500.db2.gz NTPMGDATQKTECH-UHFFFAOYSA-N -1 3 379.400 3.037 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)Cc1cccs1 ZINC000525698160 567259858 /nfs/dbraw/zinc/25/98/58/567259858.db2.gz NKQSTGUAJNRDEN-LLVKDONJSA-N -1 3 398.937 3.443 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000590983363 567259979 /nfs/dbraw/zinc/25/99/79/567259979.db2.gz HEQVJKYZZWVSPS-QWHCGFSZSA-N -1 3 392.253 3.400 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000590983363 567259984 /nfs/dbraw/zinc/25/99/84/567259984.db2.gz HEQVJKYZZWVSPS-QWHCGFSZSA-N -1 3 392.253 3.400 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)OC)c(Cl)c2)cc1 ZINC000433604000 567261375 /nfs/dbraw/zinc/26/13/75/567261375.db2.gz MANLETDNYHIAAS-UHFFFAOYSA-N -1 3 383.853 3.255 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000433613422 567261739 /nfs/dbraw/zinc/26/17/39/567261739.db2.gz WCTYEBOCUWRBSQ-UHFFFAOYSA-N -1 3 380.413 3.136 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](c1ccc(SC)cc1)N(C)C ZINC000567630642 567262661 /nfs/dbraw/zinc/26/26/61/567262661.db2.gz FTBWQSKCLKADNA-AWEZNQCLSA-N -1 3 386.564 3.060 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c2ccccc2)s1 ZINC000433616607 567262649 /nfs/dbraw/zinc/26/26/49/567262649.db2.gz LEBIEWMORDDGTM-HNNXBMFYSA-N -1 3 382.507 3.121 20 0 GGADHM NC(=O)[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1ccccc1 ZINC000433629099 567262703 /nfs/dbraw/zinc/26/27/03/567262703.db2.gz RRJBDTZYDRXNED-HNNXBMFYSA-N -1 3 380.878 3.060 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000499650456 567262874 /nfs/dbraw/zinc/26/28/74/567262874.db2.gz UELRPJFSVZIIDQ-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@H]12)c1cc(Br)sc1Cl ZINC000433625296 567263034 /nfs/dbraw/zinc/26/30/34/567263034.db2.gz LBRNVKCMBVNQQG-RKDXNWHRSA-N -1 3 399.763 3.069 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c2ccccc2)s1 ZINC000433616608 567263154 /nfs/dbraw/zinc/26/31/54/567263154.db2.gz LEBIEWMORDDGTM-OAHLLOKOSA-N -1 3 382.507 3.121 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000499641080 567263190 /nfs/dbraw/zinc/26/31/90/567263190.db2.gz JYHNGYAIQMQBEA-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc(Br)sc1Cl ZINC000433633326 567263422 /nfs/dbraw/zinc/26/34/22/567263422.db2.gz DYGCTBALFIKLFJ-UHFFFAOYSA-N -1 3 399.763 3.069 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)c1 ZINC000499652545 567263546 /nfs/dbraw/zinc/26/35/46/567263546.db2.gz ZZVIPPZABIOMAK-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cocn1 ZINC000591104166 567263834 /nfs/dbraw/zinc/26/38/34/567263834.db2.gz CNJPZUSDBTVZJU-UHFFFAOYSA-N -1 3 377.809 3.381 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)c(Br)c1 ZINC000499674260 567264304 /nfs/dbraw/zinc/26/43/04/567264304.db2.gz INVBPJBNZPFYFJ-ZWNOBZJWSA-N -1 3 390.299 3.093 20 0 GGADHM CCCCN(C)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433656143 567264760 /nfs/dbraw/zinc/26/47/60/567264760.db2.gz KGYMXGWZYGLCJX-UHFFFAOYSA-N -1 3 389.768 3.174 20 0 GGADHM CC(C)CO[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000525755981 567264581 /nfs/dbraw/zinc/26/45/81/567264581.db2.gz NKWWPQDWMMKNQT-SECBINFHSA-N -1 3 385.237 3.373 20 0 GGADHM C[C@@H]1CCN(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000525819553 567265889 /nfs/dbraw/zinc/26/58/89/567265889.db2.gz TXONMBDRCZNROZ-GFCCVEGCSA-N -1 3 385.942 3.084 20 0 GGADHM CC(C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(F)(F)F ZINC000525797184 567265986 /nfs/dbraw/zinc/26/59/86/567265986.db2.gz TXUFFHMWFNLVAX-MRVPVSSYSA-N -1 3 379.385 3.081 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)sc1Br ZINC000433668215 567266125 /nfs/dbraw/zinc/26/61/25/567266125.db2.gz WUJMLEYKTCANBG-SNVBAGLBSA-N -1 3 375.313 3.124 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)s1 ZINC000499690736 567266554 /nfs/dbraw/zinc/26/65/54/567266554.db2.gz BOBIOIBOQMRUTL-APPDUMDISA-N -1 3 398.937 3.251 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)sc1Br ZINC000433668214 567266631 /nfs/dbraw/zinc/26/66/31/567266631.db2.gz WUJMLEYKTCANBG-JTQLQIEISA-N -1 3 375.313 3.124 20 0 GGADHM CC(C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(F)(F)F ZINC000525797185 567266754 /nfs/dbraw/zinc/26/67/54/567266754.db2.gz TXUFFHMWFNLVAX-QMMMGPOBSA-N -1 3 379.385 3.081 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000499743203 567269404 /nfs/dbraw/zinc/26/94/04/567269404.db2.gz BWOQRPWBICJMPY-MGPLVRAMSA-N -1 3 385.894 3.402 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000499743209 567269459 /nfs/dbraw/zinc/26/94/59/567269459.db2.gz BWOQRPWBICJMPY-QLJPJBMISA-N -1 3 385.894 3.402 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000499733027 567269542 /nfs/dbraw/zinc/26/95/42/567269542.db2.gz JQIREKIQBQLXNY-LLVKDONJSA-N -1 3 379.400 3.106 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)oc1C ZINC000499740250 567269928 /nfs/dbraw/zinc/26/99/28/567269928.db2.gz FIMMUCTUXBTJMO-BTDLBPIBSA-N -1 3 383.853 3.242 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cn1 ZINC000685365275 567270200 /nfs/dbraw/zinc/27/02/00/567270200.db2.gz KGYPZSNCAZIWBU-UHFFFAOYSA-N -1 3 385.232 3.014 20 0 GGADHM C=Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000567718659 567270638 /nfs/dbraw/zinc/27/06/38/567270638.db2.gz MOWMLLAAJLUTRY-UHFFFAOYSA-N -1 3 399.299 3.345 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1oc2c(cc(Br)cc2C)c1C ZINC000547979113 567271096 /nfs/dbraw/zinc/27/10/96/567271096.db2.gz WGCZDPJAXKVNAL-LBPRGKRZSA-N -1 3 392.253 3.054 20 0 GGADHM O=C(C[C@@H]1C=CCCC1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000547975034 567271734 /nfs/dbraw/zinc/27/17/34/567271734.db2.gz KMVAMTBPAOFUSR-GFCCVEGCSA-N -1 3 376.400 3.212 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1ccccn1 ZINC000591324582 567274197 /nfs/dbraw/zinc/27/41/97/567274197.db2.gz NBNKCOWGENTCCH-CQSZACIVSA-N -1 3 382.869 3.341 20 0 GGADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000433818611 567274335 /nfs/dbraw/zinc/27/43/35/567274335.db2.gz FZORAFJCTZXSFV-LLVKDONJSA-N -1 3 386.564 3.475 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCc2ccc(C)cc21 ZINC000591324656 567274566 /nfs/dbraw/zinc/27/45/66/567274566.db2.gz IESOAOJZFNWFNZ-HNNXBMFYSA-N -1 3 379.865 3.401 20 0 GGADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1Cl ZINC000548026644 567274763 /nfs/dbraw/zinc/27/47/63/567274763.db2.gz CSVVASPFYVSOSR-UHFFFAOYSA-N -1 3 396.881 3.415 20 0 GGADHM CS(=O)(=O)Nc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1Cl ZINC000548026644 567274767 /nfs/dbraw/zinc/27/47/67/567274767.db2.gz CSVVASPFYVSOSR-UHFFFAOYSA-N -1 3 396.881 3.415 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(CC2CC2)C1)c1c(Cl)ccc(F)c1F ZINC000660177879 567274682 /nfs/dbraw/zinc/27/46/82/567274682.db2.gz BSGUNKGFSSZDEE-GFCCVEGCSA-N -1 3 378.872 3.019 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000591325738 567275090 /nfs/dbraw/zinc/27/50/90/567275090.db2.gz UVOQMDYNDZZBOC-MAUKXSAKSA-N -1 3 379.865 3.135 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN(CC2CC2)C1)c1c(Cl)ccc(F)c1F ZINC000660177881 567275460 /nfs/dbraw/zinc/27/54/60/567275460.db2.gz BSGUNKGFSSZDEE-LBPRGKRZSA-N -1 3 378.872 3.019 20 0 GGADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000567771600 567275428 /nfs/dbraw/zinc/27/54/28/567275428.db2.gz LLSJTAUPXMXCOR-NSHDSACASA-N -1 3 398.834 3.037 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)C(C)C ZINC000567783018 567277554 /nfs/dbraw/zinc/27/75/54/567277554.db2.gz JOJXGRTVXSMKSZ-CYBMUJFWSA-N -1 3 384.723 3.193 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCCN1C1CCCCC1 ZINC000525950787 567278020 /nfs/dbraw/zinc/27/80/20/567278020.db2.gz AJKTWAAZIFNGSJ-QGZVFWFLSA-N -1 3 384.929 3.083 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)c1 ZINC000660193785 567278079 /nfs/dbraw/zinc/27/80/79/567278079.db2.gz MLKWOJWFSROXEY-UHFFFAOYSA-N -1 3 394.802 3.379 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000525967760 567278820 /nfs/dbraw/zinc/27/88/20/567278820.db2.gz ROFYWLVISZLSPM-GUTXKFCHSA-N -1 3 376.254 3.188 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCO[C@H]1c1ccccc1 ZINC000548077002 567278988 /nfs/dbraw/zinc/27/89/88/567278988.db2.gz FTUFGMWVPXUIEE-YJBOKZPZSA-N -1 3 376.250 3.344 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Br)cc2)c(F)c1 ZINC000591390006 567280040 /nfs/dbraw/zinc/28/00/40/567280040.db2.gz OUSSQDHHEXNQGL-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)no1 ZINC000660193961 567280493 /nfs/dbraw/zinc/28/04/93/567280493.db2.gz OURIQMYSPNDSGK-UHFFFAOYSA-N -1 3 377.388 3.006 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CC2)cc1Cl ZINC000591391125 567280504 /nfs/dbraw/zinc/28/05/04/567280504.db2.gz VSXYJKMNEFEUGQ-UHFFFAOYSA-N -1 3 382.844 3.405 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)c1nc(C)cs1 ZINC000591399045 567281018 /nfs/dbraw/zinc/28/10/18/567281018.db2.gz OBGLEUFMMXKDKF-JQWIXIFHSA-N -1 3 387.552 3.140 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)c1nc(C)cs1 ZINC000591399047 567281168 /nfs/dbraw/zinc/28/11/68/567281168.db2.gz OBGLEUFMMXKDKF-ZYHUDNBSSA-N -1 3 387.552 3.140 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c2ncccc12)c1nc(C)cs1 ZINC000591399217 567281625 /nfs/dbraw/zinc/28/16/25/567281625.db2.gz ZFCBFWBNNVYJIU-ZDUSSCGKSA-N -1 3 377.491 3.438 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000548123931 567281932 /nfs/dbraw/zinc/28/19/32/567281932.db2.gz KTQSSFIUXOXPCK-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM Cc1c2cccc(Br)c2oc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000526016351 567283540 /nfs/dbraw/zinc/28/35/40/567283540.db2.gz NVPFXVUHPJSAHL-UHFFFAOYSA-N -1 3 388.221 3.198 20 0 GGADHM CCn1ncc2cc(C(=O)Nc3ccc(Br)cc3[O-])c(C)nc21 ZINC000567886977 567286267 /nfs/dbraw/zinc/28/62/67/567286267.db2.gz LRANGRRLHPZBSW-UHFFFAOYSA-N -1 3 375.226 3.480 20 0 GGADHM Cc1ccc(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000567891713 567286554 /nfs/dbraw/zinc/28/65/54/567286554.db2.gz QONFWFFRMBWKDV-HNNXBMFYSA-N -1 3 380.282 3.301 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C3CC3)C(C)(C)CO)s2)cs1 ZINC000685607843 567287124 /nfs/dbraw/zinc/28/71/24/567287124.db2.gz AXMAOTXNKUDHJM-HNNXBMFYSA-N -1 3 386.564 3.255 20 0 GGADHM Cc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1I ZINC000499980791 567288598 /nfs/dbraw/zinc/28/85/98/567288598.db2.gz RUGBEWPLKLEWPA-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1I ZINC000499980791 567288604 /nfs/dbraw/zinc/28/86/04/567288604.db2.gz RUGBEWPLKLEWPA-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1I ZINC000499980791 567288612 /nfs/dbraw/zinc/28/86/12/567288612.db2.gz RUGBEWPLKLEWPA-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM CC1=C(C)C[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000567927721 567290702 /nfs/dbraw/zinc/29/07/02/567290702.db2.gz OANACFCDKZEADW-CYBMUJFWSA-N -1 3 388.892 3.010 20 0 GGADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000567932727 567291979 /nfs/dbraw/zinc/29/19/79/567291979.db2.gz UVQMOYFZUQOMAP-VIFPVBQESA-N -1 3 390.203 3.441 20 0 GGADHM COc1ccc(OCCCS(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000591683612 567292680 /nfs/dbraw/zinc/29/26/80/567292680.db2.gz NWAIDKFHRYRLCQ-UHFFFAOYSA-N -1 3 375.368 3.323 20 0 GGADHM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000500036367 567293442 /nfs/dbraw/zinc/29/34/42/567293442.db2.gz IDJFKXNRZNHYSJ-LLVKDONJSA-N -1 3 382.482 3.410 20 0 GGADHM CC(C)Nc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617251036 567293517 /nfs/dbraw/zinc/29/35/17/567293517.db2.gz DIURTZWFEHAYBE-UHFFFAOYSA-N -1 3 387.914 3.139 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nnc2ccccn21 ZINC000434103608 567294072 /nfs/dbraw/zinc/29/40/72/567294072.db2.gz ZRSPJJAUFPAPOR-CYBMUJFWSA-N -1 3 382.848 3.342 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCC1 ZINC000685751953 567294938 /nfs/dbraw/zinc/29/49/38/567294938.db2.gz MQLXJVRLHBEFIJ-UHFFFAOYSA-N -1 3 398.834 3.038 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1cccc2nn[n-]c21 ZINC000526119306 567295220 /nfs/dbraw/zinc/29/52/20/567295220.db2.gz MCRFFBKITGMQGI-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1cccc2[n-]nnc21 ZINC000526119306 567295224 /nfs/dbraw/zinc/29/52/24/567295224.db2.gz MCRFFBKITGMQGI-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1cccc2n[n-]nc21 ZINC000526119306 567295230 /nfs/dbraw/zinc/29/52/30/567295230.db2.gz MCRFFBKITGMQGI-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)cc1Cl ZINC000591813798 567298381 /nfs/dbraw/zinc/29/83/81/567298381.db2.gz LYDPHWGQMQHKCR-UHFFFAOYSA-N -1 3 394.251 3.498 20 0 GGADHM CCCSc1nc(=NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)s[n-]1 ZINC000476153944 567300135 /nfs/dbraw/zinc/30/01/35/567300135.db2.gz NIDYDAFPPRRPAC-TZMCWYRMSA-N -1 3 379.555 3.275 20 0 GGADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500125693 567300145 /nfs/dbraw/zinc/30/01/45/567300145.db2.gz UYUNGPANLIAXBT-CYBMUJFWSA-N -1 3 393.322 3.131 20 0 GGADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500125694 567300175 /nfs/dbraw/zinc/30/01/75/567300175.db2.gz UYUNGPANLIAXBT-ZDUSSCGKSA-N -1 3 393.322 3.131 20 0 GGADHM Cc1ccc(F)c(Br)c1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000455747446 567301116 /nfs/dbraw/zinc/30/11/16/567301116.db2.gz IIUCAYPXJFKSLN-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1ccc(F)c(Br)c1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000455747446 567301120 /nfs/dbraw/zinc/30/11/20/567301120.db2.gz IIUCAYPXJFKSLN-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1ccc(F)c(Br)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000455747446 567301125 /nfs/dbraw/zinc/30/11/25/567301125.db2.gz IIUCAYPXJFKSLN-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(Br)c(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1Cl ZINC000434257652 567302293 /nfs/dbraw/zinc/30/22/93/567302293.db2.gz AVXCWQBGNJNJIE-UHFFFAOYSA-N -1 3 385.649 3.225 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCNC(=O)[C@H]1c1c(F)cccc1Cl ZINC000500139484 567302388 /nfs/dbraw/zinc/30/23/88/567302388.db2.gz QWFZDAIWLNXPHY-OAHLLOKOSA-N -1 3 383.206 3.151 20 0 GGADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000548283293 567303890 /nfs/dbraw/zinc/30/38/90/567303890.db2.gz DEHAUHSBTAMRSS-UHFFFAOYSA-N -1 3 375.837 3.096 20 0 GGADHM Cn1[n-]c(=NC(=O)CCc2nc3cc(Cl)ccc3s2)cc1OC(F)F ZINC000548291819 567304011 /nfs/dbraw/zinc/30/40/11/567304011.db2.gz RZIVZFCMAOLPGE-UHFFFAOYSA-N -1 3 386.811 3.278 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000685846021 567304501 /nfs/dbraw/zinc/30/45/01/567304501.db2.gz RXVOGFCUGQOBAL-VIFPVBQESA-N -1 3 393.317 3.211 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC2(CCC2)CC1 ZINC000685854553 567304609 /nfs/dbraw/zinc/30/46/09/567304609.db2.gz IHSLKHJNLIBUFP-UHFFFAOYSA-N -1 3 391.320 3.064 20 0 GGADHM O=C(NC1CCC(C(=O)Nc2cc(Br)ccc2[O-])CC1)C1CC1 ZINC000527002808 567304702 /nfs/dbraw/zinc/30/47/02/567304702.db2.gz QVVIMIAXAJEXQO-UHFFFAOYSA-N -1 3 381.270 3.178 20 0 GGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476201342 567305161 /nfs/dbraw/zinc/30/51/61/567305161.db2.gz WNSLVSIDODPLOF-WDEREUQCSA-N -1 3 380.279 3.072 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)nc2cccc(Cl)c21 ZINC000476220122 567305925 /nfs/dbraw/zinc/30/59/25/567305925.db2.gz RMTOBCVYZFFAIE-UHFFFAOYSA-N -1 3 389.786 3.123 20 0 GGADHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000500189507 567306631 /nfs/dbraw/zinc/30/66/31/567306631.db2.gz SNZFBSDZRSNMCW-UHFFFAOYSA-N -1 3 382.825 3.082 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1OC ZINC000476280412 567312095 /nfs/dbraw/zinc/31/20/95/567312095.db2.gz CCBCCXJJJQHEKJ-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C)c(I)c1)C(C)C ZINC000592350561 567330763 /nfs/dbraw/zinc/33/07/63/567330763.db2.gz SDYIOYVBLNNQFR-CYBMUJFWSA-N -1 3 397.278 3.012 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])NCc1cc(F)cc2c1OCOC2 ZINC000548402272 567313722 /nfs/dbraw/zinc/31/37/22/567313722.db2.gz NLVQSXUAYAFRIS-UHFFFAOYSA-N -1 3 396.212 3.019 20 0 GGADHM COC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C1CCCCC1 ZINC000548405281 567313775 /nfs/dbraw/zinc/31/37/75/567313775.db2.gz JJXOJXIYDMGBQC-HNNXBMFYSA-N -1 3 398.297 3.325 20 0 GGADHM FC(F)(F)CN1CC[C@H](CN=c2ncc3scc(Br)c3[n-]2)C1 ZINC000568241758 567314119 /nfs/dbraw/zinc/31/41/19/567314119.db2.gz YGVHJFKEFSRHNA-MRVPVSSYSA-N -1 3 395.248 3.172 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc2nn[n-]c21 ZINC000527112439 567315608 /nfs/dbraw/zinc/31/56/08/567315608.db2.gz ZOKKUVUXNWHJSV-SNVBAGLBSA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc2[n-]nnc21 ZINC000527112439 567315615 /nfs/dbraw/zinc/31/56/15/567315615.db2.gz ZOKKUVUXNWHJSV-SNVBAGLBSA-N -1 3 376.247 3.273 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc2n[n-]nc21 ZINC000527112439 567315620 /nfs/dbraw/zinc/31/56/20/567315620.db2.gz ZOKKUVUXNWHJSV-SNVBAGLBSA-N -1 3 376.247 3.273 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c(Br)c1)C(F)(F)F ZINC000548473666 567318629 /nfs/dbraw/zinc/31/86/29/567318629.db2.gz BPMFECAUCYUOHK-NSHDSACASA-N -1 3 390.221 3.467 20 0 GGADHM O=C(c1csc(=O)[n-]1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000527183932 567319164 /nfs/dbraw/zinc/31/91/64/567319164.db2.gz OKIXYVXJNNLOJZ-UHFFFAOYSA-N -1 3 382.283 3.328 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@@H]1C ZINC000500431806 567320319 /nfs/dbraw/zinc/32/03/19/567320319.db2.gz ZDJWQSMEQDOBFV-GJZGRUSLSA-N -1 3 379.551 3.351 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500426016 567320391 /nfs/dbraw/zinc/32/03/91/567320391.db2.gz YFQSHOXCANLKBD-UHFFFAOYSA-N -1 3 385.923 3.441 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)N(C)C1CC1 ZINC000500423388 567320491 /nfs/dbraw/zinc/32/04/91/567320491.db2.gz SOLKLCBIFBRQMU-NSHDSACASA-N -1 3 385.942 3.225 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)N(C)C1CC1 ZINC000500423387 567320747 /nfs/dbraw/zinc/32/07/47/567320747.db2.gz SOLKLCBIFBRQMU-LLVKDONJSA-N -1 3 385.942 3.225 20 0 GGADHM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500424706 567321281 /nfs/dbraw/zinc/32/12/81/567321281.db2.gz MDBGMHOPUWUIAC-LLVKDONJSA-N -1 3 382.898 3.027 20 0 GGADHM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500426305 567321317 /nfs/dbraw/zinc/32/13/17/567321317.db2.gz OBKVPNJFWATKKT-LLVKDONJSA-N -1 3 382.898 3.027 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000500449359 567322805 /nfs/dbraw/zinc/32/28/05/567322805.db2.gz ZCVHXMAYXCVJIJ-UHFFFAOYSA-N -1 3 395.893 3.346 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c(F)c1 ZINC000476427648 567322765 /nfs/dbraw/zinc/32/27/65/567322765.db2.gz ZYMLLXILLBSBBN-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCCC1 ZINC000500442886 567323176 /nfs/dbraw/zinc/32/31/76/567323176.db2.gz WLQUXCFMBJFXIH-UHFFFAOYSA-N -1 3 379.551 3.353 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC000476420342 567323349 /nfs/dbraw/zinc/32/33/49/567323349.db2.gz VOOYOWVTQPNQRQ-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1cccc(Cl)c1Cl ZINC000434752428 567323884 /nfs/dbraw/zinc/32/38/84/567323884.db2.gz BEBWENLFJVWPOB-UHFFFAOYSA-N -1 3 384.178 3.189 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCCN1C1CC1)c1ccc(F)cc1C(F)(F)F ZINC000434756897 567325517 /nfs/dbraw/zinc/32/55/17/567325517.db2.gz DPORXMYUPPPWSF-CYBMUJFWSA-N -1 3 380.407 3.140 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c(Cl)c1Cl ZINC000434758453 567325573 /nfs/dbraw/zinc/32/55/73/567325573.db2.gz STHHDWWWNHTWPF-LBPRGKRZSA-N -1 3 393.336 3.297 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c(Cl)c1Cl ZINC000434758452 567325945 /nfs/dbraw/zinc/32/59/45/567325945.db2.gz STHHDWWWNHTWPF-GFCCVEGCSA-N -1 3 393.336 3.297 20 0 GGADHM CC[C@H](C)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000617634907 567326860 /nfs/dbraw/zinc/32/68/60/567326860.db2.gz DDFAWAPXZXHFKN-LBPRGKRZSA-N -1 3 386.564 3.454 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCCCN3C3CC3)s2)cs1 ZINC000434774189 567327313 /nfs/dbraw/zinc/32/73/13/567327313.db2.gz KBRIDFCBJWZKMH-CQSZACIVSA-N -1 3 397.591 3.475 20 0 GGADHM CCCSc1nc(=NC(=O)NC[C@@H](c2cccs2)N2CCCC2)s[n-]1 ZINC000476484459 567327609 /nfs/dbraw/zinc/32/76/09/567327609.db2.gz SDRFCTPDCLOIQJ-LBPRGKRZSA-N -1 3 397.595 3.482 20 0 GGADHM Cc1ccc(Br)cc1-c1n[n-]c(=NC[C@H]2CCCN(C)C2)s1 ZINC000527294181 567328124 /nfs/dbraw/zinc/32/81/24/567328124.db2.gz MEJBZVDALWOYHD-GFCCVEGCSA-N -1 3 381.343 3.452 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1cn2c(n1)SCC2 ZINC000527292387 567328181 /nfs/dbraw/zinc/32/81/81/567328181.db2.gz GAKGKWUAWXXOKH-UHFFFAOYSA-N -1 3 397.909 3.218 20 0 GGADHM O=C(N[C@@H]1CC[C@H](F)C1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000568434010 567328484 /nfs/dbraw/zinc/32/84/84/567328484.db2.gz JZAGSGMHSBWWIJ-GXTWGEPZSA-N -1 3 388.530 3.370 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)c2ccccc21 ZINC000476499224 567328680 /nfs/dbraw/zinc/32/86/80/567328680.db2.gz HSGHPPISGVVEIX-CYBMUJFWSA-N -1 3 384.226 3.194 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C)cc1 ZINC000500528989 567329035 /nfs/dbraw/zinc/32/90/35/567329035.db2.gz GPFWWZHOYAJFPD-AWEZNQCLSA-N -1 3 385.844 3.023 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C(C)(C)O1 ZINC000476505022 567329944 /nfs/dbraw/zinc/32/99/44/567329944.db2.gz JVNNSSYAZPNBSF-GFCCVEGCSA-N -1 3 380.279 3.213 20 0 GGADHM Cc1nc2ccc(Br)cn2c1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000568462926 567330470 /nfs/dbraw/zinc/33/04/70/567330470.db2.gz OJHAHBBNSXZYDE-UHFFFAOYSA-N -1 3 396.208 3.394 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(I)ccc1C)C(C)C ZINC000592352853 567331144 /nfs/dbraw/zinc/33/11/44/567331144.db2.gz GAEOJNRNBTUEEO-CYBMUJFWSA-N -1 3 397.278 3.012 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1)C(C)C ZINC000592350889 567331310 /nfs/dbraw/zinc/33/13/10/567331310.db2.gz RNXXZUAODLOWNG-HJPURHCSSA-N -1 3 375.556 3.147 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000500597092 567333066 /nfs/dbraw/zinc/33/30/66/567333066.db2.gz BSTVGJPSAMKKDU-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000476542257 567333133 /nfs/dbraw/zinc/33/31/33/567333133.db2.gz HUMQVOQKYUAHIN-UHFFFAOYSA-N -1 3 379.865 3.180 20 0 GGADHM O=S(=O)([N-]CCCOc1ccccc1)c1cc(Br)ccc1F ZINC000500651850 567335587 /nfs/dbraw/zinc/33/55/87/567335587.db2.gz XMJLMXYCLCHFSQ-UHFFFAOYSA-N -1 3 388.258 3.336 20 0 GGADHM CCOc1ccc(Cl)c([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)c1 ZINC000456055291 567335667 /nfs/dbraw/zinc/33/56/67/567335667.db2.gz YIRABQHQIGONMH-UHFFFAOYSA-N -1 3 388.898 3.303 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1)c1cc(F)ccc1Br ZINC000434957722 567335872 /nfs/dbraw/zinc/33/58/72/567335872.db2.gz HZDHSBUFIIYGNV-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]CC[C@H](C)c3ccccc3)cnc2c1Cl ZINC000500644203 567335919 /nfs/dbraw/zinc/33/59/19/567335919.db2.gz QYUNKYOKDXRGTD-LBPRGKRZSA-N -1 3 378.885 3.163 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1)c1cc(Br)ccc1F ZINC000500638872 567335963 /nfs/dbraw/zinc/33/59/63/567335963.db2.gz KTMAQFGUEMTKDS-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM O=S(=O)([N-]CCCOc1ccccc1)c1cc(F)ccc1Br ZINC000434947591 567336030 /nfs/dbraw/zinc/33/60/30/567336030.db2.gz PNNMNJHMDIFCTI-UHFFFAOYSA-N -1 3 388.258 3.336 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@H]1C ZINC000500666177 567337013 /nfs/dbraw/zinc/33/70/13/567337013.db2.gz JPYNGNYUACLDNP-VXGBXAGGSA-N -1 3 393.322 3.129 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@@H]1C ZINC000500666173 567337162 /nfs/dbraw/zinc/33/71/62/567337162.db2.gz JPYNGNYUACLDNP-NWDGAFQWSA-N -1 3 393.322 3.129 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@H]1C ZINC000500666170 567337195 /nfs/dbraw/zinc/33/71/95/567337195.db2.gz JPYNGNYUACLDNP-NEPJUHHUSA-N -1 3 393.322 3.129 20 0 GGADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000568557240 567337337 /nfs/dbraw/zinc/33/73/37/567337337.db2.gz QLBDTZODJQMWFB-UHFFFAOYSA-N -1 3 388.276 3.281 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]Cc1noc(-c2cccs2)n1 ZINC000568547105 567338057 /nfs/dbraw/zinc/33/80/57/567338057.db2.gz RNDUMEZMBJARGH-UHFFFAOYSA-N -1 3 387.845 3.210 20 0 GGADHM Cc1c(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000476600296 567338732 /nfs/dbraw/zinc/33/87/32/567338732.db2.gz PESIBOCCROQRLR-VIFPVBQESA-N -1 3 381.807 3.311 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H]3CCc4c3cccc4Cl)cnc2c1Cl ZINC000500677225 567338768 /nfs/dbraw/zinc/33/87/68/567338768.db2.gz IRVSJYDZZIVVCN-AWEZNQCLSA-N -1 3 397.287 3.310 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]CCCc3ccc(Cl)cc3)cnc2c1Cl ZINC000500674311 567338839 /nfs/dbraw/zinc/33/88/39/567338839.db2.gz ZWDPKBNIAANRAW-UHFFFAOYSA-N -1 3 399.303 3.256 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cc1Br)c1cncc(Cl)c1 ZINC000548622455 567339240 /nfs/dbraw/zinc/33/92/40/567339240.db2.gz OMUZXJRQRGQION-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]Cc3ccc(C(C)C)cc3)cnc2c1Cl ZINC000500693688 567339865 /nfs/dbraw/zinc/33/98/65/567339865.db2.gz IGDMYMZDHMHMLZ-UHFFFAOYSA-N -1 3 378.885 3.293 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1Oc1ccccc1 ZINC000476637173 567341393 /nfs/dbraw/zinc/34/13/93/567341393.db2.gz VQALKRULLGMELC-ZENOOKHLSA-N -1 3 387.910 3.305 20 0 GGADHM O=c1cc(CN[C@@H](c2cncc(Br)c2)C2CC2)nc(C2CC2)[n-]1 ZINC000568601540 567341689 /nfs/dbraw/zinc/34/16/89/567341689.db2.gz ZNGKYQWRMPFZNR-MRXNPFEDSA-N -1 3 375.270 3.458 20 0 GGADHM COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2cc(C)ccc2[O-])c1 ZINC000456105884 567341729 /nfs/dbraw/zinc/34/17/29/567341729.db2.gz NQJGLFLDIQCFHY-MRXNPFEDSA-N -1 3 394.265 3.277 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1Oc1ccccc1 ZINC000476637171 567341737 /nfs/dbraw/zinc/34/17/37/567341737.db2.gz VQALKRULLGMELC-XJKCOSOUSA-N -1 3 387.910 3.305 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc3cc(Br)ccc3[nH]2)[n-]1 ZINC000617873522 567342487 /nfs/dbraw/zinc/34/24/87/567342487.db2.gz APFYMBIPOVWZTJ-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2cc3cc(Br)ccc3[nH]2)c[n-]1 ZINC000617873522 567342494 /nfs/dbraw/zinc/34/24/94/567342494.db2.gz APFYMBIPOVWZTJ-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2cccc(C)c2[O-])c1 ZINC000456110042 567342753 /nfs/dbraw/zinc/34/27/53/567342753.db2.gz ZDFXFAQNCSUKNX-MRXNPFEDSA-N -1 3 394.265 3.277 20 0 GGADHM COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2cccc(C)c2[O-])c1 ZINC000456110039 567342817 /nfs/dbraw/zinc/34/28/17/567342817.db2.gz ZDFXFAQNCSUKNX-INIZCTEOSA-N -1 3 394.265 3.277 20 0 GGADHM O=S(=O)([N-]CC1(Cc2ccccc2)CC1)c1ccc(Br)cn1 ZINC000435130926 567343726 /nfs/dbraw/zinc/34/37/26/567343726.db2.gz WVYZLPZLVUPEFZ-UHFFFAOYSA-N -1 3 381.295 3.145 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[n-]c(=O)n1 ZINC000476706807 567344980 /nfs/dbraw/zinc/34/49/80/567344980.db2.gz YIQMYPRBJUJIGW-GFCCVEGCSA-N -1 3 382.247 3.481 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1 ZINC000500788620 567344867 /nfs/dbraw/zinc/34/48/67/567344867.db2.gz TXEIVGSXXZMAHF-UHFFFAOYSA-N -1 3 382.913 3.391 20 0 GGADHM CN(Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000568641325 567345242 /nfs/dbraw/zinc/34/52/42/567345242.db2.gz JVFAMZNDSBDAIU-MRXNPFEDSA-N -1 3 394.265 3.019 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]CCSc3ccc(C)cc3)cnc2c1Cl ZINC000500817717 567346844 /nfs/dbraw/zinc/34/68/44/567346844.db2.gz MOKMVIFEQVUHDU-UHFFFAOYSA-N -1 3 396.925 3.070 20 0 GGADHM Cn1c(CN(C2CC2)C2(C(=O)[O-])CCC2)nc2ccc(Br)cc21 ZINC000568648304 567346885 /nfs/dbraw/zinc/34/68/85/567346885.db2.gz FUNXUSHWNSNLIS-UHFFFAOYSA-N -1 3 378.270 3.308 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1cc(F)ccc1Br ZINC000435209384 567348088 /nfs/dbraw/zinc/34/80/88/567348088.db2.gz WPCQHMIQMVKBJL-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000617965260 567348331 /nfs/dbraw/zinc/34/83/31/567348331.db2.gz BDMIITHTWYFGOC-UHFFFAOYSA-N -1 3 380.231 3.270 20 0 GGADHM CC(C)(COc1ncc(Cl)cc1Cl)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000435215960 567348935 /nfs/dbraw/zinc/34/89/35/567348935.db2.gz LALVEQFYIYVZMQ-UHFFFAOYSA-N -1 3 394.255 3.058 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)c(Cl)c1Cl ZINC000435221463 567349216 /nfs/dbraw/zinc/34/92/16/567349216.db2.gz YDBISBGNUNAAAX-QMMMGPOBSA-N -1 3 384.281 3.011 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C12CCC2 ZINC000435221916 567350004 /nfs/dbraw/zinc/35/00/04/567350004.db2.gz FALWXLGANDBYDI-UONOGXRCSA-N -1 3 392.290 3.214 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1cc(F)ccc1Br ZINC000435223122 567350607 /nfs/dbraw/zinc/35/06/07/567350607.db2.gz QICBZGQXEGOCEK-IUODEOHRSA-N -1 3 384.270 3.498 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1cc(F)ccc1Br ZINC000435223124 567350854 /nfs/dbraw/zinc/35/08/54/567350854.db2.gz QICBZGQXEGOCEK-WFASDCNBSA-N -1 3 384.270 3.498 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000500924583 567352587 /nfs/dbraw/zinc/35/25/87/567352587.db2.gz POOGFZAIOZDMCS-UHFFFAOYSA-N -1 3 389.237 3.136 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(F)c(Br)cc2Cl)cc1OC(F)F ZINC000476869305 567354178 /nfs/dbraw/zinc/35/41/78/567354178.db2.gz LVCTVAMJEJKWAF-UHFFFAOYSA-N -1 3 398.566 3.251 20 0 GGADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1F ZINC000568764152 567354687 /nfs/dbraw/zinc/35/46/87/567354687.db2.gz UXTBNIYPCUWQFD-QMMMGPOBSA-N -1 3 380.217 3.452 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)cc1Cl ZINC000568792571 567356021 /nfs/dbraw/zinc/35/60/21/567356021.db2.gz RQQBQHDWFDKEPV-UHFFFAOYSA-N -1 3 391.276 3.347 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C[C@@H](C)Sc3ccccc3)cnc2c1Cl ZINC000500953827 567356152 /nfs/dbraw/zinc/35/61/52/567356152.db2.gz LWWWCFAVKHYUSK-LLVKDONJSA-N -1 3 396.925 3.150 20 0 GGADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000501012319 567358709 /nfs/dbraw/zinc/35/87/09/567358709.db2.gz WRISQLILINEIDQ-STQMWFEESA-N -1 3 388.946 3.034 20 0 GGADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3cccc(Cl)c3F)C2)c1 ZINC000476931810 567358808 /nfs/dbraw/zinc/35/88/08/567358808.db2.gz JOTQCBOAOISORR-GFCCVEGCSA-N -1 3 384.860 3.045 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000501012312 567358892 /nfs/dbraw/zinc/35/88/92/567358892.db2.gz WRISQLILINEIDQ-CHWSQXEVSA-N -1 3 388.946 3.034 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CO)CC3CCCC3)s2)cs1 ZINC000548887051 567358821 /nfs/dbraw/zinc/35/88/21/567358821.db2.gz UCQLYOKILWPCFN-CYBMUJFWSA-N -1 3 386.564 3.400 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c1 ZINC000618180272 567359993 /nfs/dbraw/zinc/35/99/93/567359993.db2.gz XPMBRICXDJANRH-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM COc1ccccc1[C@H](CNC(=O)c1cc([O-])cc(Br)c1)N(C)C ZINC000527681255 567360337 /nfs/dbraw/zinc/36/03/37/567360337.db2.gz JAFLYGXMLLLWGN-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM COc1ccc(CN(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640290084 567361754 /nfs/dbraw/zinc/36/17/54/567361754.db2.gz KMVJGVVHUUUSNG-UHFFFAOYSA-N -1 3 376.766 3.193 20 0 GGADHM COCCN(Cc1cccs1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292889 567362338 /nfs/dbraw/zinc/36/23/38/567362338.db2.gz PSVOKJHLLWEYFY-UHFFFAOYSA-N -1 3 396.822 3.263 20 0 GGADHM CC(C)n1cc([C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cn1 ZINC000640293022 567362595 /nfs/dbraw/zinc/36/25/95/567362595.db2.gz RDTYJEFRKVNYDA-SECBINFHSA-N -1 3 378.786 3.181 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000640291927 567362754 /nfs/dbraw/zinc/36/27/54/567362754.db2.gz GYASIXGPTMOBJD-SSDOTTSWSA-N -1 3 381.811 3.422 20 0 GGADHM C[C@H](Cc1ccccc1F)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292494 567362992 /nfs/dbraw/zinc/36/29/92/567362992.db2.gz LXWZPJSEUSUFEW-SECBINFHSA-N -1 3 378.757 3.413 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCCOc1ccccc1 ZINC000640292643 567363059 /nfs/dbraw/zinc/36/30/59/567363059.db2.gz NGAYCGSNOVJDHP-UHFFFAOYSA-N -1 3 376.766 3.111 20 0 GGADHM CCc1nc([C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000640291930 567363427 /nfs/dbraw/zinc/36/34/27/567363427.db2.gz GYASIXGPTMOBJD-ZETCQYMHSA-N -1 3 381.811 3.422 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1(c2cccc(F)c2)CC1 ZINC000640292320 567363561 /nfs/dbraw/zinc/36/35/61/567363561.db2.gz JTMYURKHNNNSSG-UHFFFAOYSA-N -1 3 376.741 3.471 20 0 GGADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000435431563 567363815 /nfs/dbraw/zinc/36/38/15/567363815.db2.gz DVBKECKOAGYHGT-LLVKDONJSA-N -1 3 395.750 3.254 20 0 GGADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000548984473 567363959 /nfs/dbraw/zinc/36/39/59/567363959.db2.gz NYAVRIHURPZQGS-OAHLLOKOSA-N -1 3 392.830 3.339 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640295183 567364176 /nfs/dbraw/zinc/36/41/76/567364176.db2.gz QLPBDKJCTPYXNO-QWRGUYRKSA-N -1 3 382.814 3.188 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1F ZINC000568911536 567364426 /nfs/dbraw/zinc/36/44/26/567364426.db2.gz NKKKBRXVIAVHHP-GFCCVEGCSA-N -1 3 382.482 3.162 20 0 GGADHM CCC(CC)[C@H](CCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)OC ZINC000640294954 567364616 /nfs/dbraw/zinc/36/46/16/567364616.db2.gz MWABENDVRGFKCP-LBPRGKRZSA-N -1 3 384.830 3.484 20 0 GGADHM C[C@H](CCc1cccn1C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640294881 567364677 /nfs/dbraw/zinc/36/46/77/567364677.db2.gz MRFRSZRYGILIKC-SNVBAGLBSA-N -1 3 377.798 3.002 20 0 GGADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000548976762 567365074 /nfs/dbraw/zinc/36/50/74/567365074.db2.gz FWUJPMGCBZLNOE-GHMZBOCLSA-N -1 3 394.306 3.460 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCOc1ccccc1Cl ZINC000640295201 567364989 /nfs/dbraw/zinc/36/49/89/567364989.db2.gz QSCWMZZNNUDJIU-UHFFFAOYSA-N -1 3 397.184 3.375 20 0 GGADHM COC1CCC(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640296468 567365110 /nfs/dbraw/zinc/36/51/10/567365110.db2.gz NDUYVSADVPCUTQ-UHFFFAOYSA-N -1 3 382.814 3.238 20 0 GGADHM C[C@H]1CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC2(CCCC2)O1 ZINC000640304065 567365768 /nfs/dbraw/zinc/36/57/68/567365768.db2.gz ZYFJJPNTZYKXAK-JTQLQIEISA-N -1 3 380.798 3.086 20 0 GGADHM C[C@]12CN(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000640298402 567365989 /nfs/dbraw/zinc/36/59/89/567365989.db2.gz NJABOZRFBOLSKS-DZHLUBAWSA-N -1 3 376.810 3.421 20 0 GGADHM CCCN(CCN1CCCCCC1)C(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000568913131 567366248 /nfs/dbraw/zinc/36/62/48/567366248.db2.gz OYZMZOWFDBSVLT-UHFFFAOYSA-N -1 3 379.452 3.099 20 0 GGADHM C[C@H](NC(=O)N=c1[n-]n(C)cc1Br)c1ccccc1OC(F)F ZINC000640308619 567366431 /nfs/dbraw/zinc/36/64/31/567366431.db2.gz QKWYPIUZAFQSGR-QMMMGPOBSA-N -1 3 389.200 3.089 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Cl)c1)c1cncc(Br)c1 ZINC000435434186 567366541 /nfs/dbraw/zinc/36/65/41/567366541.db2.gz RIEVUVQVIGKGND-UONOGXRCSA-N -1 3 387.686 3.332 20 0 GGADHM CCC[C@@]1(COC)CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640301898 567366945 /nfs/dbraw/zinc/36/69/45/567366945.db2.gz MCYKPQXFPYWBTK-AWEZNQCLSA-N -1 3 382.814 3.334 20 0 GGADHM COCCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@H](C)C1 ZINC000640301337 567367087 /nfs/dbraw/zinc/36/70/87/567367087.db2.gz GXHJTCCGVXOBLE-WDEREUQCSA-N -1 3 382.814 3.190 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)s1 ZINC000592822627 567367137 /nfs/dbraw/zinc/36/71/37/567367137.db2.gz YTJAOUUTBHIPJW-WBMJQRKESA-N -1 3 378.519 3.219 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(Cl)cc1F ZINC000592823404 567367153 /nfs/dbraw/zinc/36/71/53/567367153.db2.gz KUSXSGXVMDKNCO-GFCCVEGCSA-N -1 3 390.814 3.315 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)[n-]1 ZINC000640309143 567367579 /nfs/dbraw/zinc/36/75/79/567367579.db2.gz GSVGASCGQGWVCU-IUCAKERBSA-N -1 3 383.212 3.095 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640311125 567367634 /nfs/dbraw/zinc/36/76/34/567367634.db2.gz ZTFJEUXEISXZHE-HZMBPMFUSA-N -1 3 381.249 3.359 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000501137377 567367670 /nfs/dbraw/zinc/36/76/70/567367670.db2.gz FUSKGFAHRIDPNZ-LBPRGKRZSA-N -1 3 378.252 3.014 20 0 GGADHM Cn1cc(Br)c(=NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)[n-]1 ZINC000640310810 567367760 /nfs/dbraw/zinc/36/77/60/567367760.db2.gz DBMCFYWWPNJRPS-DTWKUNHWSA-N -1 3 383.212 3.095 20 0 GGADHM C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2Br)CC[C@H]1c1ccccc1 ZINC000640310644 567367866 /nfs/dbraw/zinc/36/78/66/567367866.db2.gz RLKCULUFTLOJAZ-GXTWGEPZSA-N -1 3 377.286 3.262 20 0 GGADHM C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2Br)CC[C@@H]1c1ccccc1 ZINC000640310646 567367946 /nfs/dbraw/zinc/36/79/46/567367946.db2.gz RLKCULUFTLOJAZ-OCCSQVGLSA-N -1 3 377.286 3.262 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000435440598 567368162 /nfs/dbraw/zinc/36/81/62/567368162.db2.gz YAEJLHNGEXATSH-LDYMZIIASA-N -1 3 389.857 3.162 20 0 GGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640309281 567368356 /nfs/dbraw/zinc/36/83/56/567368356.db2.gz XTJVGJGJHHQYKU-SECBINFHSA-N -1 3 394.298 3.439 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640310556 567368773 /nfs/dbraw/zinc/36/87/73/567368773.db2.gz QSRMRRLUVMHEDQ-OCCSQVGLSA-N -1 3 377.286 3.090 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)[n-]1 ZINC000640308678 567368836 /nfs/dbraw/zinc/36/88/36/567368836.db2.gz KKXZOBKDBHBMQD-UHFFFAOYSA-N -1 3 393.260 3.455 20 0 GGADHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000549027692 567368932 /nfs/dbraw/zinc/36/89/32/567368932.db2.gz DIGKDTPUZSCTJV-LLVKDONJSA-N -1 3 378.256 3.222 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000501160538 567369054 /nfs/dbraw/zinc/36/90/54/567369054.db2.gz BUFCEMFBWPZLBW-ZDUSSCGKSA-N -1 3 378.252 3.014 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)CC2(C)C)s1 ZINC000549035361 567369086 /nfs/dbraw/zinc/36/90/86/567369086.db2.gz NVBSTPXGUVEMFT-INIZCTEOSA-N -1 3 379.551 3.031 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000501157371 567369104 /nfs/dbraw/zinc/36/91/04/567369104.db2.gz XOMCBZXNBYCKEI-AWEZNQCLSA-N -1 3 378.252 3.014 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)[n-]1 ZINC000640314282 567369612 /nfs/dbraw/zinc/36/96/12/567369612.db2.gz DXRFQSDLZCPJGZ-FMKPAKJESA-N -1 3 389.297 3.405 20 0 GGADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)N=c3[n-]n(C)cc3Br)C2)cc1 ZINC000640313971 567369781 /nfs/dbraw/zinc/36/97/81/567369781.db2.gz XSWMRLOYIPANAX-TZMCWYRMSA-N -1 3 377.286 3.323 20 0 GGADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)N=c3[n-]n(C)cc3Br)C2)cc1 ZINC000640313968 567369888 /nfs/dbraw/zinc/36/98/88/567369888.db2.gz XSWMRLOYIPANAX-GXTWGEPZSA-N -1 3 377.286 3.323 20 0 GGADHM CCN(Cc1c[nH]c2ccccc12)C(=O)N=c1[n-]n(C)cc1Br ZINC000640313578 567370155 /nfs/dbraw/zinc/37/01/55/567370155.db2.gz NSVLWYFJUWNEDB-UHFFFAOYSA-N -1 3 376.258 3.140 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)[n-]1 ZINC000640314467 567370331 /nfs/dbraw/zinc/37/03/31/567370331.db2.gz AUUOHINFGLCOFT-CQSZACIVSA-N -1 3 375.270 3.364 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1CCCCO1 ZINC000435470116 567370878 /nfs/dbraw/zinc/37/08/78/567370878.db2.gz NDMWPNJYOJWDMQ-CYBMUJFWSA-N -1 3 384.661 3.422 20 0 GGADHM CCN(C(=O)N=c1[n-]n(C)cc1Br)[C@@H](C)Cc1ccc(OC)cc1 ZINC000640324217 567370950 /nfs/dbraw/zinc/37/09/50/567370950.db2.gz CJAHRCVHIACUGL-LBPRGKRZSA-N -1 3 395.301 3.098 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)[n-]1 ZINC000640324213 567371023 /nfs/dbraw/zinc/37/10/23/567371023.db2.gz CHZAXPOIBYFNAL-AWEZNQCLSA-N -1 3 377.286 3.091 20 0 GGADHM Cc1ccc(C[C@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000640327819 567371041 /nfs/dbraw/zinc/37/10/41/567371041.db2.gz TYWXANHUQICWON-CQSZACIVSA-N -1 3 377.286 3.152 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)c3cccc(F)c3F)cnc2c1Cl ZINC000501191459 567371021 /nfs/dbraw/zinc/37/10/21/567371021.db2.gz ICAHMAPHWJIHPB-MRVPVSSYSA-N -1 3 386.811 3.009 20 0 GGADHM C[C@H](CSc1ccccc1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640319129 567371132 /nfs/dbraw/zinc/37/11/32/567371132.db2.gz WMXBBRGNPGAIMD-LLVKDONJSA-N -1 3 383.315 3.249 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000501188639 567371519 /nfs/dbraw/zinc/37/15/19/567371519.db2.gz VBKOTPSUZNVYSB-GFCCVEGCSA-N -1 3 378.252 3.014 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H](O)Cc1ccccc1Cl ZINC000477122998 567372556 /nfs/dbraw/zinc/37/25/56/567372556.db2.gz QKALBWNSCSFJLN-HNNXBMFYSA-N -1 3 384.657 3.028 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1cncc(Cl)c1 ZINC000569023741 567373443 /nfs/dbraw/zinc/37/34/43/567373443.db2.gz WTWIBHBAMRDTMI-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C)no1 ZINC000477135713 567374280 /nfs/dbraw/zinc/37/42/80/567374280.db2.gz IIVHODFQVVUOEF-UHFFFAOYSA-N -1 3 377.853 3.485 20 0 GGADHM CN(C)c1ccccc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000477138625 567374476 /nfs/dbraw/zinc/37/44/76/567374476.db2.gz ODBORAMYBPFSBC-UHFFFAOYSA-N -1 3 387.274 3.133 20 0 GGADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618342010 567374866 /nfs/dbraw/zinc/37/48/66/567374866.db2.gz RVURQURGIZTYLC-CYBMUJFWSA-N -1 3 382.247 3.172 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1F ZINC000435582312 567375845 /nfs/dbraw/zinc/37/58/45/567375845.db2.gz CQPHKWOIHXKQEV-GOEBONIOSA-N -1 3 383.828 3.100 20 0 GGADHM Cn1ncc2ccc(C[N-]S(=O)(=O)c3cc(Cl)sc3Cl)cc21 ZINC000569060114 567376196 /nfs/dbraw/zinc/37/61/96/567376196.db2.gz KIFKDTSJHZMBIQ-UHFFFAOYSA-N -1 3 376.290 3.420 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Br)c(F)c1 ZINC000477161153 567376382 /nfs/dbraw/zinc/37/63/82/567376382.db2.gz CYWHJEHPIXSVRK-APHBMKBZSA-N -1 3 382.254 3.205 20 0 GGADHM CC(C)C(C)(C)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000569069985 567376999 /nfs/dbraw/zinc/37/69/99/567376999.db2.gz UHEIOBSGIGBVHE-UHFFFAOYSA-N -1 3 381.420 3.083 20 0 GGADHM COc1ccc(CNc2cccc3c2OCC(=O)N3)c(Br)c1[O-] ZINC000569054880 567377231 /nfs/dbraw/zinc/37/72/31/567377231.db2.gz QFZOFLUEBKXASB-UHFFFAOYSA-N -1 3 379.210 3.106 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)COc2ccc(Cl)c(F)c2)ccc1F ZINC000549171898 567377322 /nfs/dbraw/zinc/37/73/22/567377322.db2.gz RZZLAVMDVBYWHX-UHFFFAOYSA-N -1 3 390.795 3.007 20 0 GGADHM C[C@H]1CCN(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)C1 ZINC000477168706 567377487 /nfs/dbraw/zinc/37/74/87/567377487.db2.gz XPBKMSLGQBSTNI-JTQLQIEISA-N -1 3 382.873 3.266 20 0 GGADHM CCSCc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000456476032 567378057 /nfs/dbraw/zinc/37/80/57/567378057.db2.gz RQFZSHZHQUUKGH-UHFFFAOYSA-N -1 3 384.548 3.308 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c(C)o1 ZINC000435602028 567378512 /nfs/dbraw/zinc/37/85/12/567378512.db2.gz AYCALGSSDHCGLR-GXFFZTMASA-N -1 3 387.816 3.002 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000435597111 567378631 /nfs/dbraw/zinc/37/86/31/567378631.db2.gz KKYHFJZVVGBCRR-GXFFZTMASA-N -1 3 389.857 3.162 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)sc1C ZINC000477184309 567378755 /nfs/dbraw/zinc/37/87/55/567378755.db2.gz CQCDUDGDXKTFBB-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Br)sc2C)c1 ZINC000435627481 567379578 /nfs/dbraw/zinc/37/95/78/567379578.db2.gz NRBWEJFJVBOXCM-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM CN(C)c1nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc(=O)[n-]1 ZINC000549237211 567380937 /nfs/dbraw/zinc/38/09/37/567380937.db2.gz XNAFJJRURPPULP-UHFFFAOYSA-N -1 3 381.263 3.360 20 0 GGADHM CN(C)C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)cc1 ZINC000549233539 567381011 /nfs/dbraw/zinc/38/10/11/567381011.db2.gz BYOPEUZSOCXLCE-CYBMUJFWSA-N -1 3 381.933 3.335 20 0 GGADHM Cc1cc(C(=O)NC[C@H](CO)Cc2ccc(C)c(Br)c2)ccc1[O-] ZINC000456490321 567381615 /nfs/dbraw/zinc/38/16/15/567381615.db2.gz KPQXZADZQFPHRM-OAHLLOKOSA-N -1 3 392.293 3.353 20 0 GGADHM COc1cccc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)c1[O-] ZINC000618362519 567381607 /nfs/dbraw/zinc/38/16/07/567381607.db2.gz HWDIKYCBNMTHTA-HNNXBMFYSA-N -1 3 392.249 3.377 20 0 GGADHM COc1ccc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)c([O-])c1 ZINC000618362674 567381702 /nfs/dbraw/zinc/38/17/02/567381702.db2.gz KXGAQBPVCRLRHQ-INIZCTEOSA-N -1 3 392.249 3.377 20 0 GGADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000435638996 567381937 /nfs/dbraw/zinc/38/19/37/567381937.db2.gz SSYQMTZTBSDTOF-UHFFFAOYSA-N -1 3 391.237 3.163 20 0 GGADHM CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000501329930 567382040 /nfs/dbraw/zinc/38/20/40/567382040.db2.gz GMJUFBHQZVOANR-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM COc1cc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)ccc1[O-] ZINC000618364373 567383154 /nfs/dbraw/zinc/38/31/54/567383154.db2.gz HJDURCCNKVLTST-OAHLLOKOSA-N -1 3 392.249 3.377 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])n(C2CCOCC2)n1 ZINC000527933247 567385057 /nfs/dbraw/zinc/38/50/57/567385057.db2.gz OZEBEYPTFYMUJF-UHFFFAOYSA-N -1 3 380.242 3.263 20 0 GGADHM O=S(=O)([N-][C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1cc(F)cc(F)c1 ZINC000501407084 567385105 /nfs/dbraw/zinc/38/51/05/567385105.db2.gz QCLXMTSTWUKOJW-QGZVFWFLSA-N -1 3 387.835 3.298 20 0 GGADHM O=C(NCCCNCc1c(F)ccc(Br)c1F)c1cccc([O-])c1 ZINC000501400030 567385220 /nfs/dbraw/zinc/38/52/20/567385220.db2.gz NKVCWINFQZZQMB-UHFFFAOYSA-N -1 3 399.235 3.343 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000549325678 567385360 /nfs/dbraw/zinc/38/53/60/567385360.db2.gz HXPHKKZSCPDPKF-ZDUSSCGKSA-N -1 3 379.379 3.254 20 0 GGADHM O=c1cc(CN2CCOC[C@@H]2c2ccc(Br)cc2)nc(C2CC2)[n-]1 ZINC000661643809 567386014 /nfs/dbraw/zinc/38/60/14/567386014.db2.gz LOSQEURVBWNWFQ-MRXNPFEDSA-N -1 3 390.281 3.396 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000549339986 567386609 /nfs/dbraw/zinc/38/66/09/567386609.db2.gz PGNFEVPHJGDWRD-MRVPVSSYSA-N -1 3 396.460 3.232 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)C[C@H](C)CC)c1 ZINC000501413113 567387051 /nfs/dbraw/zinc/38/70/51/567387051.db2.gz BRSIZYYJPJOQMF-NEPJUHHUSA-N -1 3 375.462 3.114 20 0 GGADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C)C[C@H](C)CC)c1 ZINC000501413122 567387510 /nfs/dbraw/zinc/38/75/10/567387510.db2.gz BRSIZYYJPJOQMF-VXGBXAGGSA-N -1 3 375.462 3.114 20 0 GGADHM CC(C)(F)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000618407742 567387658 /nfs/dbraw/zinc/38/76/58/567387658.db2.gz IFECIUUPCXWPQE-UHFFFAOYSA-N -1 3 390.527 3.156 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C ZINC000549377671 567387723 /nfs/dbraw/zinc/38/77/23/567387723.db2.gz NDEZEKKOJZCGGL-CQSZACIVSA-N -1 3 377.453 3.410 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1ccc2c(c1)OCO2 ZINC000477316417 567388538 /nfs/dbraw/zinc/38/85/38/567388538.db2.gz TXZUCHSHOYFKRY-UHFFFAOYSA-N -1 3 392.177 3.257 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)s1 ZINC000618449016 567388831 /nfs/dbraw/zinc/38/88/31/567388831.db2.gz CIBKCWJEULLJBS-UONOGXRCSA-N -1 3 380.535 3.245 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)s1 ZINC000618449017 567389001 /nfs/dbraw/zinc/38/90/01/567389001.db2.gz CIBKCWJEULLJBS-ZIAGYGMSSA-N -1 3 380.535 3.245 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)s1 ZINC000618454335 567389824 /nfs/dbraw/zinc/38/98/24/567389824.db2.gz VLZOVXXRMAARRZ-CYBMUJFWSA-N -1 3 398.575 3.406 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(F)cc1C(F)(F)F ZINC000501457173 567389947 /nfs/dbraw/zinc/38/99/47/567389947.db2.gz WFPBZBHTHNBWTJ-NXEZZACHSA-N -1 3 377.306 3.283 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)s1 ZINC000618451660 567390549 /nfs/dbraw/zinc/39/05/49/567390549.db2.gz YXROTKXSQNWNFY-FZMZJTMJSA-N -1 3 396.559 3.461 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(C(F)(F)F)cc1F ZINC000501457132 567390567 /nfs/dbraw/zinc/39/05/67/567390567.db2.gz VYDMIYFHLSMXCZ-NXEZZACHSA-N -1 3 377.306 3.283 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)cc1Cl ZINC000501472324 567391054 /nfs/dbraw/zinc/39/10/54/567391054.db2.gz DOJZIKWPIMXTEP-NXEZZACHSA-N -1 3 390.235 3.441 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C)c1cccc(Cl)c1 ZINC000569267124 567391358 /nfs/dbraw/zinc/39/13/58/567391358.db2.gz VSTNOFASRXEDLO-INIZCTEOSA-N -1 3 385.917 3.400 20 0 GGADHM O=C(Nc1ccccc1CN1CCOCC1)c1cc([O-])cc(Br)c1 ZINC000528082591 567392700 /nfs/dbraw/zinc/39/27/00/567392700.db2.gz FUOFXJJJDKDQAK-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1cc(F)cc(F)c1 ZINC000549508265 567393708 /nfs/dbraw/zinc/39/37/08/567393708.db2.gz MQTUCYMKJUENKV-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC(F)(F)C[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000549521983 567395353 /nfs/dbraw/zinc/39/53/53/567395353.db2.gz DFYPURGQDSFQJF-UHFFFAOYSA-N -1 3 382.148 3.401 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CC12CCCC2 ZINC000477463200 567396694 /nfs/dbraw/zinc/39/66/94/567396694.db2.gz VKRJMLVFHDGKTK-NSHDSACASA-N -1 3 386.876 3.439 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000477463248 567396734 /nfs/dbraw/zinc/39/67/34/567396734.db2.gz HGSFOBDYCLSXJE-PIGZYNQJSA-N -1 3 398.937 3.120 20 0 GGADHM O=C([N-]c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)c1ccc(Cl)o1 ZINC000477461833 567396802 /nfs/dbraw/zinc/39/68/02/567396802.db2.gz PTAZZDQCDVTGAU-UHFFFAOYSA-N -1 3 393.223 3.419 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCC3)c1 ZINC000593204568 567397167 /nfs/dbraw/zinc/39/71/67/567397167.db2.gz ZAEQEZDCXFBPBM-DEOSSOPVSA-N -1 3 399.921 3.344 20 0 GGADHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000549555456 567397441 /nfs/dbraw/zinc/39/74/41/567397441.db2.gz GHEARFNDZDLPNK-YGRLFVJLSA-N -1 3 396.734 3.073 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)[n-]c(=O)n1 ZINC000435963415 567397691 /nfs/dbraw/zinc/39/76/91/567397691.db2.gz JCAJZGCTKLTRFH-CQSZACIVSA-N -1 3 380.217 3.370 20 0 GGADHM O=C(NCCc1cc(Cl)ccc1Br)c1ccc2n[n-]nc2c1 ZINC000435963891 567398002 /nfs/dbraw/zinc/39/80/02/567398002.db2.gz JRJLRUZRDOQJJM-UHFFFAOYSA-N -1 3 379.645 3.346 20 0 GGADHM O=C(NCCN1CCc2sccc2C1)c1cc([O-])cc(Br)c1 ZINC000528145138 567398240 /nfs/dbraw/zinc/39/82/40/567398240.db2.gz GKWZSQDLOAFAQV-UHFFFAOYSA-N -1 3 381.295 3.004 20 0 GGADHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000569379602 567401357 /nfs/dbraw/zinc/40/13/57/567401357.db2.gz JWBQPKBNMBXPPL-UHFFFAOYSA-N -1 3 383.432 3.283 20 0 GGADHM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000501679038 567401685 /nfs/dbraw/zinc/40/16/85/567401685.db2.gz JNKZXSVYWJOHBR-LLVKDONJSA-N -1 3 381.420 3.035 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1-c1ccc(Br)cc1 ZINC000640944176 567402994 /nfs/dbraw/zinc/40/29/94/567402994.db2.gz ZNXJJRWFSMCGJA-MCIONIFRSA-N -1 3 376.254 3.076 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1ccc(Br)cc1 ZINC000640943612 567403090 /nfs/dbraw/zinc/40/30/90/567403090.db2.gz RIGIOIKRIBEIPY-ZLKJLUDKSA-N -1 3 388.265 3.123 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1ccc(Br)cc1 ZINC000640943601 567403215 /nfs/dbraw/zinc/40/32/15/567403215.db2.gz RIGIOIKRIBEIPY-GDLCADMTSA-N -1 3 388.265 3.123 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCOCC3)c1-c1ccc(Br)cc1 ZINC000640942766 567403262 /nfs/dbraw/zinc/40/32/62/567403262.db2.gz NEWMZJGYWVRUBX-CQSZACIVSA-N -1 3 390.281 3.325 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000593301076 567405076 /nfs/dbraw/zinc/40/50/76/567405076.db2.gz IXXWDTQQKTZKNV-UHFFFAOYSA-N -1 3 397.953 3.369 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC(F)(F)F ZINC000569454888 567405480 /nfs/dbraw/zinc/40/54/80/567405480.db2.gz FQKMZDQCFIYLAH-MRVPVSSYSA-N -1 3 384.807 3.092 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000569452040 567405529 /nfs/dbraw/zinc/40/55/29/567405529.db2.gz QEFKAFHIWLFYQY-UKRRQHHQSA-N -1 3 383.286 3.255 20 0 GGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2cc([O-])cc(Br)c2)o1 ZINC000528277660 567407282 /nfs/dbraw/zinc/40/72/82/567407282.db2.gz KLKRVBCDDPACHR-UHFFFAOYSA-N -1 3 381.270 3.260 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cn1C ZINC000436155999 567409217 /nfs/dbraw/zinc/40/92/17/567409217.db2.gz RATGYBXIVDNOJB-UHFFFAOYSA-N -1 3 386.857 3.053 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000436183644 567412746 /nfs/dbraw/zinc/41/27/46/567412746.db2.gz JJMQQOFYTWPAQC-LLVKDONJSA-N -1 3 394.287 3.316 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000436190404 567413939 /nfs/dbraw/zinc/41/39/39/567413939.db2.gz MWVORBALJBIZDG-AWEZNQCLSA-N -1 3 388.258 3.254 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCCC2(C)C)sc1Br ZINC000549872032 567414942 /nfs/dbraw/zinc/41/49/42/567414942.db2.gz COEXUFPRJVHPFU-CYBMUJFWSA-N -1 3 382.345 3.039 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000549865246 567415222 /nfs/dbraw/zinc/41/52/22/567415222.db2.gz PZFHLIDXUKZONK-UHFFFAOYSA-N -1 3 379.265 3.339 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000549865416 567415632 /nfs/dbraw/zinc/41/56/32/567415632.db2.gz IXLHRQOITJCIFV-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM Cn1c(CC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nc2ccc(F)cc21 ZINC000549864936 567415667 /nfs/dbraw/zinc/41/56/67/567415667.db2.gz MSKSGGCKQGCTTD-UHFFFAOYSA-N -1 3 385.823 3.026 20 0 GGADHM O=C([O-])CC1(NCc2coc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000662213144 567417190 /nfs/dbraw/zinc/41/71/90/567417190.db2.gz UOZYNFXOAIVJPA-UHFFFAOYSA-N -1 3 395.253 3.218 20 0 GGADHM CC1CCC(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000502069035 567417596 /nfs/dbraw/zinc/41/75/96/567417596.db2.gz QHMDMGHJUHSREK-UHFFFAOYSA-N -1 3 378.947 3.012 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)C1CCCCC1)c1cc(F)ccc1Br ZINC000549915035 567418195 /nfs/dbraw/zinc/41/81/95/567418195.db2.gz NLYRPJCZJQCRAC-GFCCVEGCSA-N -1 3 394.306 3.055 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1cc(C)cc(C)c1 ZINC000569615643 567418617 /nfs/dbraw/zinc/41/86/17/567418617.db2.gz RZRSRVQMOHOINJ-KRWDZBQOSA-N -1 3 381.881 3.291 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CC1 ZINC000569629146 567418772 /nfs/dbraw/zinc/41/87/72/567418772.db2.gz BSCASOPBSDHKAH-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM CC[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1)C1CC1 ZINC000618866366 567418874 /nfs/dbraw/zinc/41/88/74/567418874.db2.gz NIQUYUCEQHUEGP-CYBMUJFWSA-N -1 3 384.548 3.207 20 0 GGADHM C[C@H]1CCC[C@H](CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000502089136 567419293 /nfs/dbraw/zinc/41/92/93/567419293.db2.gz HDBLMCHJOBTGNB-RYUDHWBXSA-N -1 3 378.947 3.012 20 0 GGADHM COc1cccc(N2CC[C@@H](NC(=O)c3cc([O-])cc(Br)c3)C2)c1 ZINC000528402156 567419699 /nfs/dbraw/zinc/41/96/99/567419699.db2.gz COAFWYXTXXMHBV-CQSZACIVSA-N -1 3 391.265 3.172 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cc(I)ccc2C)on1 ZINC000477827061 567421593 /nfs/dbraw/zinc/42/15/93/567421593.db2.gz TWGRIOZYGZYODR-SNVBAGLBSA-N -1 3 385.205 3.335 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000477825983 567422034 /nfs/dbraw/zinc/42/20/34/567422034.db2.gz YRXYHHGLMFOPIH-LLVKDONJSA-N -1 3 382.869 3.375 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC(C)(C)Cc3oc(C)cc32)c1 ZINC000502199378 567422295 /nfs/dbraw/zinc/42/22/95/567422295.db2.gz XXJALANKIHYBRQ-ZDUSSCGKSA-N -1 3 383.491 3.428 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)c1 ZINC000502184125 567422634 /nfs/dbraw/zinc/42/26/34/567422634.db2.gz GYNJTXIAPVKAFD-UHFFFAOYSA-N -1 3 393.408 3.075 20 0 GGADHM Cc1ncc(CNC(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000569665749 567422989 /nfs/dbraw/zinc/42/29/89/567422989.db2.gz JZPITNHAGMLHHY-IINYFYTJSA-N -1 3 381.263 3.400 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000502177191 567423188 /nfs/dbraw/zinc/42/31/88/567423188.db2.gz WNTGPLBEULGVSR-VIFPVBQESA-N -1 3 391.417 3.176 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)OC)c1 ZINC000528447932 567423228 /nfs/dbraw/zinc/42/32/28/567423228.db2.gz IWRIEQXNJSYPLK-MRXNPFEDSA-N -1 3 385.869 3.023 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)[n-]1 ZINC000618920465 567423256 /nfs/dbraw/zinc/42/32/56/567423256.db2.gz XDSKRAVNMDVJMB-VIFPVBQESA-N -1 3 398.282 3.468 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)c[n-]1 ZINC000618920465 567423259 /nfs/dbraw/zinc/42/32/59/567423259.db2.gz XDSKRAVNMDVJMB-VIFPVBQESA-N -1 3 398.282 3.468 20 0 GGADHM COc1cncc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c1 ZINC000549989666 567423414 /nfs/dbraw/zinc/42/34/14/567423414.db2.gz CMOVEEZGMKKJHY-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM CCC[C@H](OCC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000528438942 567423458 /nfs/dbraw/zinc/42/34/58/567423458.db2.gz SNRVUEHGEKRIFY-ZDUSSCGKSA-N -1 3 382.404 3.221 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)C(C)C)c1 ZINC000502208831 567423848 /nfs/dbraw/zinc/42/38/48/567423848.db2.gz QENFTZBKUFSTRA-MRXNPFEDSA-N -1 3 383.491 3.219 20 0 GGADHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502237307 567425167 /nfs/dbraw/zinc/42/51/67/567425167.db2.gz FYLRJDUFUCRUEV-UHFFFAOYSA-N -1 3 388.276 3.032 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000569705240 567425299 /nfs/dbraw/zinc/42/52/99/567425299.db2.gz LQIBEKNRGPFDCY-MQMHXKEQSA-N -1 3 385.283 3.278 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000502255156 567425460 /nfs/dbraw/zinc/42/54/60/567425460.db2.gz MTZPMYGFGCAORO-CQSZACIVSA-N -1 3 397.909 3.073 20 0 GGADHM CC[C@H](CO)NC(=O)c1ccc(NCc2cc([O-])ccc2Br)cc1 ZINC000550064494 567426280 /nfs/dbraw/zinc/42/62/80/567426280.db2.gz MRFBNHREIYCLML-CQSZACIVSA-N -1 3 393.281 3.268 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3s2)cn1C ZINC000528468488 567428053 /nfs/dbraw/zinc/42/80/53/567428053.db2.gz BGSITFKJGQAXBI-UHFFFAOYSA-N -1 3 378.523 3.367 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)cc1 ZINC000550111485 567428186 /nfs/dbraw/zinc/42/81/86/567428186.db2.gz SRCPIMVGAXGGTC-UHFFFAOYSA-N -1 3 387.244 3.096 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cccc2ccsc21 ZINC000593617237 567428145 /nfs/dbraw/zinc/42/81/45/567428145.db2.gz TUOPEKXTWGNLIK-LBPRGKRZSA-N -1 3 395.424 3.205 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1O ZINC000436491301 567428259 /nfs/dbraw/zinc/42/82/59/567428259.db2.gz WLHDEAPAKLVUOQ-UHFFFAOYSA-N -1 3 394.207 3.426 20 0 GGADHM O=C(NCCc1ccc(F)c(Br)c1)c1c[n-]nc1-c1ccccn1 ZINC000569746271 567428428 /nfs/dbraw/zinc/42/84/28/567428428.db2.gz FVFVXELVIBHIHV-UHFFFAOYSA-N -1 3 389.228 3.346 20 0 GGADHM CSc1ccsc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436483128 567428467 /nfs/dbraw/zinc/42/84/67/567428467.db2.gz CSPNBIHSEQWPAX-UHFFFAOYSA-N -1 3 376.503 3.210 20 0 GGADHM COc1cc(C)cc(C(=O)Nc2ccc(I)c(C)n2)c1[O-] ZINC000436486058 567428527 /nfs/dbraw/zinc/42/85/27/567428527.db2.gz MOBNRNMBPIWRKJ-UHFFFAOYSA-N -1 3 398.200 3.270 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000619005017 567429349 /nfs/dbraw/zinc/42/93/49/567429349.db2.gz DVKZYPOKWBJGFI-UHFFFAOYSA-N -1 3 394.356 3.412 20 0 GGADHM CN(C)CCOc1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436529963 567431660 /nfs/dbraw/zinc/43/16/60/567431660.db2.gz BAZLUMLYAHIRPD-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM COc1cc(CNC(=O)c2cc(C)ccc2[O-])cc(Br)c1OC ZINC000436532193 567431747 /nfs/dbraw/zinc/43/17/47/567431747.db2.gz GNFOQJZZRVJMGH-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1Br ZINC000436512155 567432059 /nfs/dbraw/zinc/43/20/59/567432059.db2.gz MCXKQGBBOJEICE-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM CN(C)Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000478028281 567432560 /nfs/dbraw/zinc/43/25/60/567432560.db2.gz MGXCIDCFXKOCDX-UHFFFAOYSA-N -1 3 381.885 3.025 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000569797973 567432672 /nfs/dbraw/zinc/43/26/72/567432672.db2.gz APTNRBQGQNYDEQ-STQMWFEESA-N -1 3 378.519 3.170 20 0 GGADHM CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000436537078 567432792 /nfs/dbraw/zinc/43/27/92/567432792.db2.gz FMVNJKKCPATHCG-UHFFFAOYSA-N -1 3 395.272 3.498 20 0 GGADHM [O-]c1ccc(-c2noc(-c3cc(Cn4cc(Br)cn4)on3)n2)cc1 ZINC000436536472 567432934 /nfs/dbraw/zinc/43/29/34/567432934.db2.gz VPQAUHGXAXICRN-UHFFFAOYSA-N -1 3 388.181 3.105 20 0 GGADHM COc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c([O-])c1 ZINC000436549713 567433204 /nfs/dbraw/zinc/43/32/04/567433204.db2.gz VPESNESGDMVPEQ-GFCCVEGCSA-N -1 3 391.265 3.172 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000502435058 567434337 /nfs/dbraw/zinc/43/43/37/567434337.db2.gz BFLDTXSVTJBCEY-INIZCTEOSA-N -1 3 379.869 3.084 20 0 GGADHM O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[O-] ZINC000436551354 567434509 /nfs/dbraw/zinc/43/45/09/567434509.db2.gz NLGNQQBIUIXJDV-ZDUSSCGKSA-N -1 3 375.266 3.411 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCN1C ZINC000502455133 567435399 /nfs/dbraw/zinc/43/53/99/567435399.db2.gz BUUMYTJRAKMHMP-WCBMZHEXSA-N -1 3 399.713 3.003 20 0 GGADHM Cc1cc2sc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)nc2cc1F ZINC000478079285 567435436 /nfs/dbraw/zinc/43/54/36/567435436.db2.gz GGDFOBYXABKPCN-UHFFFAOYSA-N -1 3 399.494 3.308 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)nc1C ZINC000502444047 567435666 /nfs/dbraw/zinc/43/56/66/567435666.db2.gz MASHHGNAIZOXJQ-UHFFFAOYSA-N -1 3 375.416 3.141 20 0 GGADHM CC(C)OCCN1CCC(NC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000436577141 567436926 /nfs/dbraw/zinc/43/69/26/567436926.db2.gz SZEXPUIPQALAHM-UHFFFAOYSA-N -1 3 375.296 3.318 20 0 GGADHM CC(C)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)C(=O)OC(C)(C)C ZINC000569851697 567437476 /nfs/dbraw/zinc/43/74/76/567437476.db2.gz RBAQAAOZKVMEGN-AWEZNQCLSA-N -1 3 386.286 3.385 20 0 GGADHM CC(C)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)C(=O)OC(C)(C)C ZINC000569851699 567437920 /nfs/dbraw/zinc/43/79/20/567437920.db2.gz RBAQAAOZKVMEGN-CQSZACIVSA-N -1 3 386.286 3.385 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N(C)C)c(F)c1 ZINC000478146508 567437953 /nfs/dbraw/zinc/43/79/53/567437953.db2.gz HSNWDCKEPVJQDF-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)s2)c(F)c1 ZINC000478146254 567438042 /nfs/dbraw/zinc/43/80/42/567438042.db2.gz HCKQRUHWLACMMZ-UHFFFAOYSA-N -1 3 394.287 3.179 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cc(C)ccc1C ZINC000528563717 567438342 /nfs/dbraw/zinc/43/83/42/567438342.db2.gz DSLMQGFNYWRQMA-CYBMUJFWSA-N -1 3 375.416 3.485 20 0 GGADHM Cc1ccc(C(=O)NCCCNC(=O)c2cccc(Br)c2)c([O-])c1 ZINC000436624390 567439030 /nfs/dbraw/zinc/43/90/30/567439030.db2.gz JQQVLLZJGAYVBC-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(-c3csc(C)n3)o2)c(F)c1 ZINC000478149556 567439512 /nfs/dbraw/zinc/43/95/12/567439512.db2.gz ZIAQJMGTTKOEEM-UHFFFAOYSA-N -1 3 382.438 3.338 20 0 GGADHM COc1ccc(CNCc2ncn(-c3ccccc3)n2)c(Br)c1[O-] ZINC000550312864 567440416 /nfs/dbraw/zinc/44/04/16/567440416.db2.gz TVOJDJUHNGCUNF-UHFFFAOYSA-N -1 3 389.253 3.034 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2F)c([O-])c1 ZINC000436635019 567440435 /nfs/dbraw/zinc/44/04/35/567440435.db2.gz OJMSTWWPLIXHSP-UHFFFAOYSA-N -1 3 395.228 3.361 20 0 GGADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1OCCCO ZINC000436650247 567440524 /nfs/dbraw/zinc/44/05/24/567440524.db2.gz VRLOGTJWQQKBEH-LBPRGKRZSA-N -1 3 394.265 3.407 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000478183400 567441175 /nfs/dbraw/zinc/44/11/75/567441175.db2.gz WMKZUHDKJVOYFX-HNNXBMFYSA-N -1 3 384.498 3.011 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000569900496 567442043 /nfs/dbraw/zinc/44/20/43/567442043.db2.gz WCDSMVPCNSSEKM-KCJUWKMLSA-N -1 3 376.265 3.183 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2sccc2Cl)c(O[C@H]2CCOC2)c1 ZINC000569899989 567442320 /nfs/dbraw/zinc/44/23/20/567442320.db2.gz UQLWYGBYJFLDRS-ZDUSSCGKSA-N -1 3 387.910 3.356 20 0 GGADHM Cc1ccc(C[N-]S(=O)(=O)c2sccc2Cl)c(O[C@@H]2CCOC2)c1 ZINC000569899988 567442497 /nfs/dbraw/zinc/44/24/97/567442497.db2.gz UQLWYGBYJFLDRS-CYBMUJFWSA-N -1 3 387.910 3.356 20 0 GGADHM C[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000436683600 567442519 /nfs/dbraw/zinc/44/25/19/567442519.db2.gz VIVWWOGUESXVEL-NSHDSACASA-N -1 3 381.259 3.349 20 0 GGADHM COc1cc(-c2noc(-c3cncc(I)c3)n2)ccc1[O-] ZINC000436684110 567442866 /nfs/dbraw/zinc/44/28/66/567442866.db2.gz XQOMQDXMEOEOTR-UHFFFAOYSA-N -1 3 395.156 3.117 20 0 GGADHM COc1cccc(C(=O)Nc2cc(OC)c(Br)c(OC)c2)c1[O-] ZINC000436692259 567444034 /nfs/dbraw/zinc/44/40/34/567444034.db2.gz WIQOKXSBYZJCDU-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM COc1ccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c([O-])c1 ZINC000436714877 567445181 /nfs/dbraw/zinc/44/51/81/567445181.db2.gz HBGQGAWDUJCFGO-HNNXBMFYSA-N -1 3 380.238 3.017 20 0 GGADHM COc1cccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c1[O-] ZINC000436713618 567445392 /nfs/dbraw/zinc/44/53/92/567445392.db2.gz CMPLGKOPGFEXOK-AWEZNQCLSA-N -1 3 380.238 3.017 20 0 GGADHM CC(C)CN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000502601362 567445742 /nfs/dbraw/zinc/44/57/42/567445742.db2.gz SDZUOWRLOUEBRR-UHFFFAOYSA-N -1 3 381.885 3.409 20 0 GGADHM CCN(CC1CCC1)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000478278684 567445923 /nfs/dbraw/zinc/44/59/23/567445923.db2.gz JRJLKGWDSAETRD-UHFFFAOYSA-N -1 3 378.416 3.339 20 0 GGADHM CN(Cc1ccccc1)C1CN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436716973 567445988 /nfs/dbraw/zinc/44/59/88/567445988.db2.gz UVNSBBIXFLKDEJ-UHFFFAOYSA-N -1 3 375.266 3.111 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000436739829 567447013 /nfs/dbraw/zinc/44/70/13/567447013.db2.gz XLOFWJLIJZONFL-MRVPVSSYSA-N -1 3 393.412 3.160 20 0 GGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000436728758 567447265 /nfs/dbraw/zinc/44/72/65/567447265.db2.gz CODWMYJQBZFXJK-HNNXBMFYSA-N -1 3 377.282 3.057 20 0 GGADHM CCc1ccc(C(=O)N(CCO)Cc2cccc(Br)c2)c([O-])c1 ZINC000436731738 567447694 /nfs/dbraw/zinc/44/76/94/567447694.db2.gz AOCHCWPSCKWKAR-UHFFFAOYSA-N -1 3 378.266 3.352 20 0 GGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000436730100 567447910 /nfs/dbraw/zinc/44/79/10/567447910.db2.gz JJFYNDHCOMISFE-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM COc1ccc(Br)c(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436749331 567448946 /nfs/dbraw/zinc/44/89/46/567448946.db2.gz JRIJIELZYDMPLB-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1cc(F)cc(Cl)c1 ZINC000478364664 567449556 /nfs/dbraw/zinc/44/95/56/567449556.db2.gz CEOZJNPYYJAYLI-UHFFFAOYSA-N -1 3 392.786 3.064 20 0 GGADHM COc1ccccc1[C@H](CNC(=O)c1ccc(Br)cc1[O-])N(C)C ZINC000436754708 567449956 /nfs/dbraw/zinc/44/99/56/567449956.db2.gz JDQQOMXVFUUYKA-HNNXBMFYSA-N -1 3 393.281 3.196 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2ccc(Sc3nncs3)c(Cl)c2)CC1 ZINC000641683776 567450116 /nfs/dbraw/zinc/45/01/16/567450116.db2.gz UZFYUKZCTNTGHL-UHFFFAOYSA-N -1 3 391.927 3.263 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000641683740 567450483 /nfs/dbraw/zinc/45/04/83/567450483.db2.gz OUMWKGBTRMGHEB-DLBZAZTESA-N -1 3 382.507 3.421 20 0 GGADHM COC(=O)c1sc([N-]C(=O)c2scc3c2OCCO3)nc1C(C)(C)C ZINC000593988330 567450559 /nfs/dbraw/zinc/45/05/59/567450559.db2.gz GAZGVOBLTTTZEP-UHFFFAOYSA-N -1 3 382.463 3.312 20 0 GGADHM O=S(=O)(CCc1ccc2c(c1)CCO2)Nc1cccc([O-])c1Br ZINC000641691303 567450772 /nfs/dbraw/zinc/45/07/72/567450772.db2.gz MIASBVQKRVKFLY-UHFFFAOYSA-N -1 3 398.278 3.074 20 0 GGADHM O=C(c1cc(Cl)sc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773832 567451152 /nfs/dbraw/zinc/45/11/52/567451152.db2.gz QXDQXNSFGIXZTR-UHFFFAOYSA-N -1 3 385.272 3.359 20 0 GGADHM COc1ccc(NC(=O)c2cccc(OC)c2[O-])c(I)c1 ZINC000436793369 567452982 /nfs/dbraw/zinc/45/29/82/567452982.db2.gz QPPAYYZDHOMBDF-UHFFFAOYSA-N -1 3 399.184 3.266 20 0 GGADHM Cc1cccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c1[O-] ZINC000436788425 567453106 /nfs/dbraw/zinc/45/31/06/567453106.db2.gz YYLHKPIAUFYNIM-UHFFFAOYSA-N -1 3 375.266 3.426 20 0 GGADHM COc1ccc(NC(=O)c2cc(OC)ccc2[O-])c(I)c1 ZINC000436795190 567453213 /nfs/dbraw/zinc/45/32/13/567453213.db2.gz YDARIHIVRQVXNK-UHFFFAOYSA-N -1 3 399.184 3.266 20 0 GGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cc2c(cc1Br)OCCO2 ZINC000436808931 567453962 /nfs/dbraw/zinc/45/39/62/567453962.db2.gz MTLULPTWJIUVJL-VIFPVBQESA-N -1 3 394.221 3.123 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc(Br)cc3cccnc32)[n-]1 ZINC000619449652 567454348 /nfs/dbraw/zinc/45/43/48/567454348.db2.gz PYOLBZUFUMDXPQ-UHFFFAOYSA-N -1 3 389.209 3.149 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2cc(Br)cc3cccnc32)c[n-]1 ZINC000619449652 567454355 /nfs/dbraw/zinc/45/43/55/567454355.db2.gz PYOLBZUFUMDXPQ-UHFFFAOYSA-N -1 3 389.209 3.149 20 0 GGADHM CCSc1ccc([C@@H](C)NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1 ZINC000502817532 567454791 /nfs/dbraw/zinc/45/47/91/567454791.db2.gz KVWQBPOAWHBXOS-GFCCVEGCSA-N -1 3 379.507 3.056 20 0 GGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cc2c(cc1Br)OCCO2 ZINC000436808930 567454934 /nfs/dbraw/zinc/45/49/34/567454934.db2.gz MTLULPTWJIUVJL-SECBINFHSA-N -1 3 394.221 3.123 20 0 GGADHM COc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1Br ZINC000570055904 567455562 /nfs/dbraw/zinc/45/55/62/567455562.db2.gz JSGMTWXXTIUYLS-UHFFFAOYSA-N -1 3 394.225 3.092 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cccc(OC)c2[O-])c1 ZINC000436844443 567455534 /nfs/dbraw/zinc/45/55/34/567455534.db2.gz NJHHHJFEBIELBJ-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cccs1 ZINC000619474755 567457478 /nfs/dbraw/zinc/45/74/78/567457478.db2.gz BCWBLSXHPFPUBU-CYBMUJFWSA-N -1 3 391.873 3.264 20 0 GGADHM CN1CC[C@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000436857868 567459173 /nfs/dbraw/zinc/45/91/73/567459173.db2.gz LRPCEYAIYATBOV-HOTGVXAUSA-N -1 3 393.256 3.469 20 0 GGADHM CN1CC[C@@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000436857867 567459252 /nfs/dbraw/zinc/45/92/52/567459252.db2.gz LRPCEYAIYATBOV-CVEARBPZSA-N -1 3 393.256 3.469 20 0 GGADHM CN(C)[C@@H](CNC(=O)c1cc(F)cc(Br)c1[O-])c1ccccc1 ZINC000436853588 567459722 /nfs/dbraw/zinc/45/97/22/567459722.db2.gz QZRPZACLEIQFRT-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCOCC(F)(F)F)c1Cl ZINC000641914129 567460098 /nfs/dbraw/zinc/46/00/98/567460098.db2.gz LBHPQURNYHEAGG-UHFFFAOYSA-N -1 3 380.215 3.467 20 0 GGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000570130819 567460490 /nfs/dbraw/zinc/46/04/90/567460490.db2.gz XYKBBSSJKVANGE-UHFFFAOYSA-N -1 3 385.820 3.251 20 0 GGADHM Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1F ZINC000570132890 567460504 /nfs/dbraw/zinc/46/05/04/567460504.db2.gz BXQXBRGLGYQSMX-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000641948247 567460748 /nfs/dbraw/zinc/46/07/48/567460748.db2.gz MTLQTPKNMQRXJF-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM O=S(=O)([N-]CCOCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000641914286 567460858 /nfs/dbraw/zinc/46/08/58/567460858.db2.gz ZWKSXKQUWSQBKW-UHFFFAOYSA-N -1 3 385.713 3.216 20 0 GGADHM CN(C)C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)c2ccccc2O1 ZINC000528828504 567461596 /nfs/dbraw/zinc/46/15/96/567461596.db2.gz AXYSMRRQWOBVQN-HNNXBMFYSA-N -1 3 391.265 3.124 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cnc(C)s1 ZINC000619522242 567462270 /nfs/dbraw/zinc/46/22/70/567462270.db2.gz SKQNNDWNTPGWIF-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM Cc1cccc([C@H]2C(=O)NCCN2Cc2cc([O-])ccc2Br)c1 ZINC000570176472 567462794 /nfs/dbraw/zinc/46/27/94/567462794.db2.gz OYDUPURCZOPTDT-KRWDZBQOSA-N -1 3 375.266 3.136 20 0 GGADHM C[C@@H]1CC[C@@H](CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)O1 ZINC000457389848 567463264 /nfs/dbraw/zinc/46/32/64/567463264.db2.gz YHOCIZWBVXTBKV-SCZZXKLOSA-N -1 3 399.672 3.241 20 0 GGADHM C[C@@H]1CC[C@@H](CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])O1 ZINC000457389848 567463269 /nfs/dbraw/zinc/46/32/69/567463269.db2.gz YHOCIZWBVXTBKV-SCZZXKLOSA-N -1 3 399.672 3.241 20 0 GGADHM Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000550802494 567463759 /nfs/dbraw/zinc/46/37/59/567463759.db2.gz FEYPVYUDUSXWDD-UHFFFAOYSA-N -1 3 377.809 3.422 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000641983498 567463921 /nfs/dbraw/zinc/46/39/21/567463921.db2.gz URESNTJZZGEGQS-ZETOZRRWSA-N -1 3 393.336 3.213 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC2([S@](C)=O)CCC2)c1Cl ZINC000619550413 567465090 /nfs/dbraw/zinc/46/50/90/567465090.db2.gz ZWSNGTZNQLHAGA-NRFANRHFSA-N -1 3 384.350 3.190 20 0 GGADHM C[C@H](CN1CCCCC1)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436911814 567465352 /nfs/dbraw/zinc/46/53/52/567465352.db2.gz RECWZXVIZLBZLP-SNVBAGLBSA-N -1 3 375.694 3.412 20 0 GGADHM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc([O-])cc(Br)c1 ZINC000528885842 567465658 /nfs/dbraw/zinc/46/56/58/567465658.db2.gz MBNKOTRUABRBAF-MRXNPFEDSA-N -1 3 376.250 3.398 20 0 GGADHM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc([O-])cc(Br)c1 ZINC000528883293 567465737 /nfs/dbraw/zinc/46/57/37/567465737.db2.gz SPXHCNMXXYFREY-UHFFFAOYSA-N -1 3 392.175 3.179 20 0 GGADHM Cc1ccc([C@@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000642047191 567465807 /nfs/dbraw/zinc/46/58/07/567465807.db2.gz PFWQPIFVVOQAKC-OAHLLOKOSA-N -1 3 380.535 3.253 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1c(Cl)cccc1Cl ZINC000642038698 567466385 /nfs/dbraw/zinc/46/63/85/567466385.db2.gz JCQGXECELNZEPK-UHFFFAOYSA-N -1 3 393.317 3.040 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)CCCC1 ZINC000570210938 567466498 /nfs/dbraw/zinc/46/64/98/567466498.db2.gz NYAPVBFNGLTOCH-UHFFFAOYSA-N -1 3 397.827 3.417 20 0 GGADHM O=c1[nH]c(Cc2cc3c(cc2Br)OCO3)nc2ccc([O-])cc12 ZINC000436926440 567467107 /nfs/dbraw/zinc/46/71/07/567467107.db2.gz LKUHBIWJZDNUEE-UHFFFAOYSA-N -1 3 375.178 3.123 20 0 GGADHM COC(=O)[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(Br)cc1 ZINC000436923986 567467164 /nfs/dbraw/zinc/46/71/64/567467164.db2.gz DOLWSKPYKKBYAJ-OAHLLOKOSA-N -1 3 378.222 3.107 20 0 GGADHM Cc1nc(N2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)sc1C ZINC000528891394 567467134 /nfs/dbraw/zinc/46/71/34/567467134.db2.gz LOLKBWAJPUFLJT-UHFFFAOYSA-N -1 3 396.310 3.190 20 0 GGADHM O=C(NCCc1c[nH]c2cccc(Br)c12)c1c([O-])cccc1O ZINC000436927199 567467228 /nfs/dbraw/zinc/46/72/28/567467228.db2.gz NBVQUJMDEMSZHK-UHFFFAOYSA-N -1 3 375.222 3.314 20 0 GGADHM COc1cc(-c2noc([C@@H]3CCCc4nccn43)n2)cc(Br)c1[O-] ZINC000436953856 567468170 /nfs/dbraw/zinc/46/81/70/567468170.db2.gz CEXVAIIPBRIFIP-NSHDSACASA-N -1 3 391.225 3.336 20 0 GGADHM CCc1ccc([O-])c(-c2nc(Cc3cc(Br)c[nH]c3=O)no2)c1 ZINC000436949851 567468747 /nfs/dbraw/zinc/46/87/47/567468747.db2.gz SNQNHEIKBWPWEA-UHFFFAOYSA-N -1 3 376.210 3.459 20 0 GGADHM COc1cc(-c2noc([C@H]3CCCc4nccn43)n2)cc(Br)c1[O-] ZINC000436953855 567469213 /nfs/dbraw/zinc/46/92/13/567469213.db2.gz CEXVAIIPBRIFIP-LLVKDONJSA-N -1 3 391.225 3.336 20 0 GGADHM COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cccc(C)c1[O-] ZINC000436970425 567470027 /nfs/dbraw/zinc/47/00/27/567470027.db2.gz LDGLWHJMIQVNGC-UHFFFAOYSA-N -1 3 392.249 3.279 20 0 GGADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)NC[C@H]1CCN1C1CCCCC1 ZINC000528933058 567470269 /nfs/dbraw/zinc/47/02/69/567470269.db2.gz DRRJVWZUDPFDKS-CQSZACIVSA-N -1 3 377.539 3.217 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)c(F)c1 ZINC000642191489 567470613 /nfs/dbraw/zinc/47/06/13/567470613.db2.gz RQKLHEBTMPCZOM-UHFFFAOYSA-N -1 3 382.482 3.163 20 0 GGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000551007277 567472339 /nfs/dbraw/zinc/47/23/39/567472339.db2.gz FIRGUIIXKPFKCB-SNVBAGLBSA-N -1 3 395.834 3.478 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2)s1 ZINC000619664509 567473000 /nfs/dbraw/zinc/47/30/00/567473000.db2.gz RYFJGHONGYMEBX-NWDGAFQWSA-N -1 3 384.498 3.166 20 0 GGADHM COc1ccc([O-])c(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000436998526 567473699 /nfs/dbraw/zinc/47/36/99/567473699.db2.gz KGRVIGUJKMOJLU-UHFFFAOYSA-N -1 3 380.809 3.078 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)no1 ZINC000570318893 567474392 /nfs/dbraw/zinc/47/43/92/567474392.db2.gz FKPBHZJEOVTMIB-HNNXBMFYSA-N -1 3 386.539 3.213 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000642323305 567474483 /nfs/dbraw/zinc/47/44/83/567474483.db2.gz DZAKLYWPGPETIC-NSHDSACASA-N -1 3 375.222 3.146 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000642323224 567474516 /nfs/dbraw/zinc/47/45/16/567474516.db2.gz WGAMOLDDONKZFB-SNVBAGLBSA-N -1 3 393.212 3.285 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])NC(=O)c1ccccc1 ZINC000642323676 567474859 /nfs/dbraw/zinc/47/48/59/567474859.db2.gz JRPOHPMCEVISMR-NSHDSACASA-N -1 3 377.238 3.302 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000503229824 567474963 /nfs/dbraw/zinc/47/49/63/567474963.db2.gz DBLKJPHVNSOYIP-JTQLQIEISA-N -1 3 396.715 3.176 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)s1 ZINC000503220978 567475393 /nfs/dbraw/zinc/47/53/93/567475393.db2.gz RUJYKSOICOQHDC-UHFFFAOYSA-N -1 3 392.325 3.007 20 0 GGADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000642331636 567476415 /nfs/dbraw/zinc/47/64/15/567476415.db2.gz QUGFOOHTULLOGA-NSHDSACASA-N -1 3 382.869 3.117 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)N(C)C)c1 ZINC000551085496 567477301 /nfs/dbraw/zinc/47/73/01/567477301.db2.gz ZMTUUDTXYBDVSE-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(Cl)c(C)c2)nc1C ZINC000594464075 567477846 /nfs/dbraw/zinc/47/78/46/567477846.db2.gz UKBUGAQIHYXZPF-UHFFFAOYSA-N -1 3 388.898 3.069 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000594477429 567479475 /nfs/dbraw/zinc/47/94/75/567479475.db2.gz MHRSPDNSHDDJPH-SECBINFHSA-N -1 3 385.379 3.101 20 0 GGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000503297514 567480242 /nfs/dbraw/zinc/48/02/42/567480242.db2.gz PYFIMJXARJXZDE-UHFFFAOYSA-N -1 3 377.217 3.174 20 0 GGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000503297514 567480244 /nfs/dbraw/zinc/48/02/44/567480244.db2.gz PYFIMJXARJXZDE-UHFFFAOYSA-N -1 3 377.217 3.174 20 0 GGADHM CN(CCc1ccc(Br)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503297514 567480251 /nfs/dbraw/zinc/48/02/51/567480251.db2.gz PYFIMJXARJXZDE-UHFFFAOYSA-N -1 3 377.217 3.174 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000642515880 567480711 /nfs/dbraw/zinc/48/07/11/567480711.db2.gz VZVOEDZEMPOJCJ-UHFFFAOYSA-N -1 3 384.851 3.369 20 0 GGADHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000642523573 567480804 /nfs/dbraw/zinc/48/08/04/567480804.db2.gz TWJFBVXZAMNYQJ-NSHDSACASA-N -1 3 384.851 3.369 20 0 GGADHM C[C@@](O)(C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1)C(F)(F)F ZINC000529047308 567480975 /nfs/dbraw/zinc/48/09/75/567480975.db2.gz JIOQWTGOOTURMI-CQSZACIVSA-N -1 3 396.203 3.320 20 0 GGADHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000551138455 567481788 /nfs/dbraw/zinc/48/17/88/567481788.db2.gz WMZCFZXZXNLHND-HNNXBMFYSA-N -1 3 385.844 3.452 20 0 GGADHM O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc([O-])cc(Br)c1 ZINC000529056018 567482413 /nfs/dbraw/zinc/48/24/13/567482413.db2.gz MWVQPTHLZJXZBM-UHFFFAOYSA-N -1 3 391.265 3.110 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000551148756 567483119 /nfs/dbraw/zinc/48/31/19/567483119.db2.gz OMTFGOIPPLTYBN-UHFFFAOYSA-N -1 3 390.933 3.155 20 0 GGADHM Cc1cc(NC(=O)COc2ccc3c([O-])coc3c2)ccc1Br ZINC000642608924 567483701 /nfs/dbraw/zinc/48/37/01/567483701.db2.gz VBBSMZZEMLZLQR-UHFFFAOYSA-N -1 3 376.206 3.350 20 0 GGADHM Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)cc2occ([O-])c21 ZINC000642610140 567483745 /nfs/dbraw/zinc/48/37/45/567483745.db2.gz XBICYQAYFKSYMK-UHFFFAOYSA-N -1 3 394.196 3.489 20 0 GGADHM CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc([O-])cc(Br)c2)cn1 ZINC000529091038 567485045 /nfs/dbraw/zinc/48/50/45/567485045.db2.gz NLZPAAMWGOJYMU-JKSUJKDBSA-N -1 3 394.269 3.021 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2c(Br)cccc2C1 ZINC000503462590 567486878 /nfs/dbraw/zinc/48/68/78/567486878.db2.gz OQDBGUXDEFADJF-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2c(Br)cccc2C1 ZINC000503462590 567486883 /nfs/dbraw/zinc/48/68/83/567486883.db2.gz OQDBGUXDEFADJF-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2c(Br)cccc2C1 ZINC000503462590 567486889 /nfs/dbraw/zinc/48/68/89/567486889.db2.gz OQDBGUXDEFADJF-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437284255 567486927 /nfs/dbraw/zinc/48/69/27/567486927.db2.gz JQUIAMVGHDJKBY-XJKSGUPXSA-N -1 3 379.243 3.101 20 0 GGADHM O=S(=O)([N-]CCc1nc2cc(Cl)ccc2s1)c1cn2c(n1)CCCC2 ZINC000503476794 567487335 /nfs/dbraw/zinc/48/73/35/567487335.db2.gz PGJDSGULHCXJML-UHFFFAOYSA-N -1 3 396.925 3.004 20 0 GGADHM C[C@@H]1C[C@H](C)[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000503462759 567487385 /nfs/dbraw/zinc/48/73/85/567487385.db2.gz DQVYNTQZQUMJRF-IQMYEBEASA-N -1 3 382.233 3.152 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)CSC)c(F)cc1F ZINC000503468963 567487460 /nfs/dbraw/zinc/48/74/60/567487460.db2.gz USABTVOXSBTSLC-UHFFFAOYSA-N -1 3 380.482 3.444 20 0 GGADHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000503462765 567487467 /nfs/dbraw/zinc/48/74/67/567487467.db2.gz DQVYNTQZQUMJRF-XWRVAKJBSA-N -1 3 382.233 3.152 20 0 GGADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cnc(C2CC2)nc1 ZINC000642881030 567488467 /nfs/dbraw/zinc/48/84/67/567488467.db2.gz LNATXSDRMWKVPH-UHFFFAOYSA-N -1 3 382.283 3.101 20 0 GGADHM COc1ccc(-c2nc(C)c(C(=O)Nc3nnc(SC)[n-]3)s2)c(F)c1 ZINC000503485329 567488989 /nfs/dbraw/zinc/48/89/89/567488989.db2.gz FXSQTWOKHWEDGY-UHFFFAOYSA-N -1 3 379.442 3.359 20 0 GGADHM COc1ccc(-c2nc(C)c(C(=O)Nc3nc(SC)n[n-]3)s2)c(F)c1 ZINC000503485329 567488993 /nfs/dbraw/zinc/48/89/93/567488993.db2.gz FXSQTWOKHWEDGY-UHFFFAOYSA-N -1 3 379.442 3.359 20 0 GGADHM COc1cc([N-]S(=O)(=O)CCOC(C)C)c(Cl)cc1Br ZINC000663262486 567489012 /nfs/dbraw/zinc/48/90/12/567489012.db2.gz SACGWKVMEYTRQM-UHFFFAOYSA-N -1 3 386.695 3.278 20 0 GGADHM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000529138170 567489021 /nfs/dbraw/zinc/48/90/21/567489021.db2.gz KAQREGAFZFGCDI-MRXNPFEDSA-N -1 3 378.266 3.484 20 0 GGADHM COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000529137578 567489039 /nfs/dbraw/zinc/48/90/39/567489039.db2.gz KAQREGAFZFGCDI-INIZCTEOSA-N -1 3 378.266 3.484 20 0 GGADHM O=S(=O)(CCc1ccccc1Br)[N-]c1ccc2c[nH]nc2c1 ZINC000642817482 567489326 /nfs/dbraw/zinc/48/93/26/567489326.db2.gz QJAGYLHHAAPIJX-UHFFFAOYSA-N -1 3 380.267 3.310 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000437299084 567489904 /nfs/dbraw/zinc/48/99/04/567489904.db2.gz QHEWCSKHPOTYNT-IUODEOHRSA-N -1 3 382.844 3.137 20 0 GGADHM CSCCCCC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000478915259 567490494 /nfs/dbraw/zinc/49/04/94/567490494.db2.gz JDQXXOUKAJBWAT-UHFFFAOYSA-N -1 3 394.356 3.196 20 0 GGADHM COc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)cc(OC)c1Br ZINC000503528706 567491350 /nfs/dbraw/zinc/49/13/50/567491350.db2.gz HPJWLFXMLUOOEO-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM COc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)cc(OC)c1Br ZINC000503528706 567491351 /nfs/dbraw/zinc/49/13/51/567491351.db2.gz HPJWLFXMLUOOEO-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM COc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)cc(OC)c1Br ZINC000503528706 567491352 /nfs/dbraw/zinc/49/13/52/567491352.db2.gz HPJWLFXMLUOOEO-UHFFFAOYSA-N -1 3 395.188 3.129 20 0 GGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000503517472 567491788 /nfs/dbraw/zinc/49/17/88/567491788.db2.gz FOTKMXFPZPPMPR-VIFPVBQESA-N -1 3 389.228 3.447 20 0 GGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000503517472 567491793 /nfs/dbraw/zinc/49/17/93/567491793.db2.gz FOTKMXFPZPPMPR-VIFPVBQESA-N -1 3 389.228 3.447 20 0 GGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503517472 567491799 /nfs/dbraw/zinc/49/17/99/567491799.db2.gz FOTKMXFPZPPMPR-VIFPVBQESA-N -1 3 389.228 3.447 20 0 GGADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(Br)c2)cs1 ZINC000437332044 567492333 /nfs/dbraw/zinc/49/23/33/567492333.db2.gz YRSZERJYLYMBJS-SECBINFHSA-N -1 3 391.312 3.092 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(C)C)c1 ZINC000437323080 567492752 /nfs/dbraw/zinc/49/27/52/567492752.db2.gz JWLOKFWWNUNDEC-HNNXBMFYSA-N -1 3 385.482 3.219 20 0 GGADHM CCc1nc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)cn1CC1CC1 ZINC000663298400 567493010 /nfs/dbraw/zinc/49/30/10/567493010.db2.gz NAMAKWLDASCUDG-UHFFFAOYSA-N -1 3 377.363 3.213 20 0 GGADHM O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc([O-])cc(Br)c1 ZINC000529168985 567493934 /nfs/dbraw/zinc/49/39/34/567493934.db2.gz SQWSQGSXSPGRCG-SJLPKXTDSA-N -1 3 394.240 3.190 20 0 GGADHM O=C(CCCCCc1cccs1)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437347083 567494231 /nfs/dbraw/zinc/49/42/31/567494231.db2.gz ZJPHNRVCQWTHNA-UHFFFAOYSA-N -1 3 386.564 3.007 20 0 GGADHM CC(C)C[C@H]1CCCCCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437435351 567496125 /nfs/dbraw/zinc/49/61/25/567496125.db2.gz PNLBEIJFFLFHJZ-OAHLLOKOSA-N -1 3 387.571 3.027 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000529196250 567496508 /nfs/dbraw/zinc/49/65/08/567496508.db2.gz VINCVAQYZAYRAK-AWEZNQCLSA-N -1 3 395.228 3.372 20 0 GGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000570577133 567496525 /nfs/dbraw/zinc/49/65/25/567496525.db2.gz TVUNGJQPIGFVQE-ZUCKAHLUSA-N -1 3 396.281 3.296 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cc(F)ccc1F)c1ccc(C(F)(F)F)s1 ZINC000643196364 567496615 /nfs/dbraw/zinc/49/66/15/567496615.db2.gz AEJSFACJXQCDPL-JTQLQIEISA-N -1 3 387.351 3.057 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(Oc2ncccc2F)CC1 ZINC000529191261 567496700 /nfs/dbraw/zinc/49/67/00/567496700.db2.gz DXNKIAJIOGGWCR-UHFFFAOYSA-N -1 3 395.228 3.372 20 0 GGADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643189559 567496757 /nfs/dbraw/zinc/49/67/57/567496757.db2.gz XZOCCMBFOAVMIA-UHFFFAOYSA-N -1 3 380.413 3.428 20 0 GGADHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643197150 567496838 /nfs/dbraw/zinc/49/68/38/567496838.db2.gz RICDJHJCXLVDPR-ZYHUDNBSSA-N -1 3 379.425 3.210 20 0 GGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000570577132 567496842 /nfs/dbraw/zinc/49/68/42/567496842.db2.gz TVUNGJQPIGFVQE-PPHDSNJXSA-N -1 3 396.281 3.296 20 0 GGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000570577130 567497103 /nfs/dbraw/zinc/49/71/03/567497103.db2.gz TVUNGJQPIGFVQE-BNLOLNQZSA-N -1 3 396.281 3.296 20 0 GGADHM Cc1cccc([C@H]2C(=O)NCCN2Cc2cccc([O-])c2Br)c1 ZINC000570582561 567497317 /nfs/dbraw/zinc/49/73/17/567497317.db2.gz AKFVSYZHSQEOAK-KRWDZBQOSA-N -1 3 375.266 3.136 20 0 GGADHM O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479044714 567497893 /nfs/dbraw/zinc/49/78/93/567497893.db2.gz ORCDHFYBNQRPGU-CQSZACIVSA-N -1 3 379.185 3.087 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c(F)c1 ZINC000620141950 567498966 /nfs/dbraw/zinc/49/89/66/567498966.db2.gz NZVWMVNRIGYBIA-UHFFFAOYSA-N -1 3 378.450 3.477 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)s1 ZINC000620141957 567499379 /nfs/dbraw/zinc/49/93/79/567499379.db2.gz QMSZDMDUEMDSSU-UHFFFAOYSA-N -1 3 394.543 3.120 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643209105 567499612 /nfs/dbraw/zinc/49/96/12/567499612.db2.gz JRPRFIGNXLPGAM-LBPRGKRZSA-N -1 3 382.860 3.094 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl)C1CCCC1 ZINC000594695557 567499929 /nfs/dbraw/zinc/49/99/29/567499929.db2.gz TUQPESBAXVZPKV-WAIKUNEKSA-N -1 3 393.958 3.165 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1OC(F)F ZINC000643211002 567499901 /nfs/dbraw/zinc/49/99/01/567499901.db2.gz SZNLCXUDMBSBEC-GDLCADMTSA-N -1 3 393.839 3.177 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(SC)ccc2Cl)cn1C ZINC000594699012 567500535 /nfs/dbraw/zinc/50/05/35/567500535.db2.gz GSDDCINSNOEUNA-UHFFFAOYSA-N -1 3 388.898 3.378 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(C)nc(C)c1 ZINC000643215527 567500994 /nfs/dbraw/zinc/50/09/94/567500994.db2.gz REDRMYDQXLRDSK-UHFFFAOYSA-N -1 3 399.310 3.338 20 0 GGADHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)cc1 ZINC000551386476 567502212 /nfs/dbraw/zinc/50/22/12/567502212.db2.gz PVKPFVRSMAJEGI-UHFFFAOYSA-N -1 3 383.445 3.437 20 0 GGADHM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1cc(Cl)cc(Cl)c1 ZINC000570651874 567502314 /nfs/dbraw/zinc/50/23/14/567502314.db2.gz QSZPBNWLYKXQSM-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570646307 567502521 /nfs/dbraw/zinc/50/25/21/567502521.db2.gz GZCRPECOWHVYBH-VHSXEESVSA-N -1 3 382.707 3.338 20 0 GGADHM CO[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000620169698 567502826 /nfs/dbraw/zinc/50/28/26/567502826.db2.gz SSASQQTZJXPQKB-QGZVFWFLSA-N -1 3 393.281 3.226 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccco1 ZINC000503730641 567503005 /nfs/dbraw/zinc/50/30/05/567503005.db2.gz AIHSKOIROUZGAB-ZDUSSCGKSA-N -1 3 379.356 3.234 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)n(C2CCN(C)CC2)n1 ZINC000551390344 567503326 /nfs/dbraw/zinc/50/33/26/567503326.db2.gz XWNFDZORLRDAKW-UHFFFAOYSA-N -1 3 386.880 3.052 20 0 GGADHM Cc1ccc(CS(=O)(=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000570662907 567503647 /nfs/dbraw/zinc/50/36/47/567503647.db2.gz REXYLIGMLHHWRB-UHFFFAOYSA-N -1 3 397.294 3.246 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccco1 ZINC000503735063 567503583 /nfs/dbraw/zinc/50/35/83/567503583.db2.gz YRHGAPRMTGANPD-LBPRGKRZSA-N -1 3 392.246 3.237 20 0 GGADHM CCOC(=O)c1cnc(C)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000503735119 567503641 /nfs/dbraw/zinc/50/36/41/567503641.db2.gz MAAYOBVOGRVBDL-UHFFFAOYSA-N -1 3 379.210 3.287 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000570669373 567503894 /nfs/dbraw/zinc/50/38/94/567503894.db2.gz RUQZLZHADKLMIP-OCCSQVGLSA-N -1 3 399.925 3.370 20 0 GGADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ncc(C)cc1Br ZINC000643276269 567504117 /nfs/dbraw/zinc/50/41/17/567504117.db2.gz ORLIZYJMVBFIRL-AWEZNQCLSA-N -1 3 399.310 3.152 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000570689192 567504739 /nfs/dbraw/zinc/50/47/39/567504739.db2.gz JHGNPAMWNBCLMT-KRWDZBQOSA-N -1 3 395.253 3.027 20 0 GGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cc(Cl)sc3Cl)nc12 ZINC000503742457 567505128 /nfs/dbraw/zinc/50/51/28/567505128.db2.gz UVKAWALSPWBPMX-UHFFFAOYSA-N -1 3 376.290 3.490 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCOc2cc(Cl)ccc21)c1cn2c(n1)CCCC2 ZINC000503771442 567505560 /nfs/dbraw/zinc/50/55/60/567505560.db2.gz IHCYIJOUSIXTKA-CQSZACIVSA-N -1 3 381.885 3.065 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c[nH]1 ZINC000479130356 567505842 /nfs/dbraw/zinc/50/58/42/567505842.db2.gz DDGWZTSMKBNYTC-UHFFFAOYSA-N -1 3 393.646 3.018 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)c(F)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000503791205 567507051 /nfs/dbraw/zinc/50/70/51/567507051.db2.gz MHKIWZFCXJCZEL-UHFFFAOYSA-N -1 3 384.301 3.039 20 0 GGADHM Cn1nccc1C=Cc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000551437208 567507007 /nfs/dbraw/zinc/50/70/07/567507007.db2.gz LCETVSQPHYWRRM-WAYWQWQTSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1nccc1C=Cc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000551437208 567507012 /nfs/dbraw/zinc/50/70/12/567507012.db2.gz LCETVSQPHYWRRM-WAYWQWQTSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1nccc1C=Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551437208 567507020 /nfs/dbraw/zinc/50/70/20/567507020.db2.gz LCETVSQPHYWRRM-WAYWQWQTSA-N -1 3 398.224 3.188 20 0 GGADHM O=C1[N-]C(=O)c2cc(NCc3nc(-c4cccc(Br)c4)c[nH]3)ccc21 ZINC000551451324 567507520 /nfs/dbraw/zinc/50/75/20/567507520.db2.gz IAXFWNBZSGQNBB-UHFFFAOYSA-N -1 3 397.232 3.335 20 0 GGADHM Cn1nccc1C=Cc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000551437207 567507646 /nfs/dbraw/zinc/50/76/46/567507646.db2.gz LCETVSQPHYWRRM-AATRIKPKSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1nccc1C=Cc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000551437207 567507649 /nfs/dbraw/zinc/50/76/49/567507649.db2.gz LCETVSQPHYWRRM-AATRIKPKSA-N -1 3 398.224 3.188 20 0 GGADHM Cn1nccc1C=Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551437207 567507653 /nfs/dbraw/zinc/50/76/53/567507653.db2.gz LCETVSQPHYWRRM-AATRIKPKSA-N -1 3 398.224 3.188 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1Cl ZINC000479143002 567507885 /nfs/dbraw/zinc/50/78/85/567507885.db2.gz SGJVFUOZFJTJBT-CYBMUJFWSA-N -1 3 384.807 3.308 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C(F)(F)F)nc1C ZINC000503856405 567509574 /nfs/dbraw/zinc/50/95/74/567509574.db2.gz GAVWLVWAUZHGDG-LLVKDONJSA-N -1 3 375.416 3.140 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C)c1ccco1 ZINC000503848841 567509790 /nfs/dbraw/zinc/50/97/90/567509790.db2.gz VYNYDFPYIOHOOT-ZDUSSCGKSA-N -1 3 388.283 3.407 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1 ZINC000479153066 567510141 /nfs/dbraw/zinc/51/01/41/567510141.db2.gz SIHJDUHTSHRTHL-OAHLLOKOSA-N -1 3 381.416 3.111 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000594770739 567510687 /nfs/dbraw/zinc/51/06/87/567510687.db2.gz RTAOEBYUQXIRQG-HNNXBMFYSA-N -1 3 397.953 3.226 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1C)c1ccco1 ZINC000503881877 567510756 /nfs/dbraw/zinc/51/07/56/567510756.db2.gz DLEORNDWKJZJLG-SNVBAGLBSA-N -1 3 394.312 3.468 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccco1 ZINC000503887412 567511342 /nfs/dbraw/zinc/51/13/42/567511342.db2.gz VQVMJNJDCBTBRJ-LBPRGKRZSA-N -1 3 381.347 3.494 20 0 GGADHM COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ncccc1[O-] ZINC000570763311 567511366 /nfs/dbraw/zinc/51/13/66/567511366.db2.gz HIWYPGJYAWAQEC-UHFFFAOYSA-N -1 3 377.853 3.089 20 0 GGADHM C[C@@]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)(C1CC1)C(F)(F)F ZINC000479167948 567511585 /nfs/dbraw/zinc/51/15/85/567511585.db2.gz RDKZTDABFLNLBP-LLVKDONJSA-N -1 3 392.321 3.032 20 0 GGADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C1(C(=O)C2CC2)CC1 ZINC000570771447 567512234 /nfs/dbraw/zinc/51/22/34/567512234.db2.gz PEHFUTCQMJNSKE-UHFFFAOYSA-N -1 3 392.228 3.098 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000594774894 567512262 /nfs/dbraw/zinc/51/22/62/567512262.db2.gz HDJZWHRAAOBNIU-NSHDSACASA-N -1 3 383.728 3.409 20 0 GGADHM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)CCOCC(F)(F)F)c2)n1 ZINC000570768488 567512462 /nfs/dbraw/zinc/51/24/62/567512462.db2.gz SVKVBEIQCFJOQU-UHFFFAOYSA-N -1 3 378.372 3.279 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)N1CCc2sccc2C1 ZINC000551518990 567513049 /nfs/dbraw/zinc/51/30/49/567513049.db2.gz RAODPZFHVZXJOB-LLVKDONJSA-N -1 3 388.917 3.266 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000620336858 567513479 /nfs/dbraw/zinc/51/34/79/567513479.db2.gz XISYMSRIQIJXSM-JTQLQIEISA-N -1 3 395.893 3.255 20 0 GGADHM CC1(C)CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](C(F)(F)F)O1 ZINC000529418662 567514247 /nfs/dbraw/zinc/51/42/47/567514247.db2.gz PKHHSCWJBAZCRD-LLVKDONJSA-N -1 3 382.176 3.337 20 0 GGADHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000479214980 567514800 /nfs/dbraw/zinc/51/48/00/567514800.db2.gz WVZGPMVJCMPOMF-VIFPVBQESA-N -1 3 385.379 3.243 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3ncc(Cl)s3)[n-]c(=O)c21 ZINC000479204885 567514957 /nfs/dbraw/zinc/51/49/57/567514957.db2.gz KFWIWSKWTWQEBJ-UHFFFAOYSA-N -1 3 382.854 3.228 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000529437739 567515613 /nfs/dbraw/zinc/51/56/13/567515613.db2.gz QPDQHTQTEQNUOB-GJZGRUSLSA-N -1 3 387.277 3.363 20 0 GGADHM Cn1cc([C@@H]2CN(C(=O)c3cc([O-])cc(Br)c3)CC2(C)C)cn1 ZINC000529431674 567515657 /nfs/dbraw/zinc/51/56/57/567515657.db2.gz GIYMGRBTWCNWAZ-HNNXBMFYSA-N -1 3 378.270 3.154 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c[nH]1 ZINC000479229465 567515756 /nfs/dbraw/zinc/51/57/56/567515756.db2.gz YYBKKNSBKWROJR-UHFFFAOYSA-N -1 3 393.646 3.018 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)c1ccc(Cl)cc1 ZINC000479229926 567516548 /nfs/dbraw/zinc/51/65/48/567516548.db2.gz SCDSGDUBEKCCQK-HNNXBMFYSA-N -1 3 385.844 3.370 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1Br ZINC000479234384 567517477 /nfs/dbraw/zinc/51/74/77/567517477.db2.gz ABBHWUQYMVXROI-UHFFFAOYSA-N -1 3 388.262 3.230 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCC1(CSC)CC1 ZINC000594819904 567517693 /nfs/dbraw/zinc/51/76/93/567517693.db2.gz MTJLMHRQHAGLID-UHFFFAOYSA-N -1 3 394.356 3.269 20 0 GGADHM CSCC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000594822147 567518432 /nfs/dbraw/zinc/51/84/32/567518432.db2.gz ZVEKVGCUFUTZLM-UHFFFAOYSA-N -1 3 382.320 3.400 20 0 GGADHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000479252358 567518934 /nfs/dbraw/zinc/51/89/34/567518934.db2.gz REQIXQRBVRKQIA-LBPRGKRZSA-N -1 3 382.507 3.209 20 0 GGADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(Cn3cc(Br)cn3)no2)c1 ZINC000570856118 567519668 /nfs/dbraw/zinc/51/96/68/567519668.db2.gz VZYHPXYZDTYBBJ-UHFFFAOYSA-N -1 3 389.131 3.468 20 0 GGADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(Br)ccc1F)OCO2 ZINC000479262784 567519964 /nfs/dbraw/zinc/51/99/64/567519964.db2.gz WFLRVFFPBSHHSV-UHFFFAOYSA-N -1 3 388.214 3.426 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc([O-])cc(Br)c1 ZINC000529480302 567520581 /nfs/dbraw/zinc/52/05/81/567520581.db2.gz CPNPXOZJCOBMRK-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000570881010 567521084 /nfs/dbraw/zinc/52/10/84/567521084.db2.gz ORGGCGJAFNSLBQ-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2Br)nc1C ZINC000479291440 567521895 /nfs/dbraw/zinc/52/18/95/567521895.db2.gz XFJWQVCNCZYERT-UHFFFAOYSA-N -1 3 376.251 3.222 20 0 GGADHM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1C ZINC000479281722 567522090 /nfs/dbraw/zinc/52/20/90/567522090.db2.gz NITCECHEQUHLPB-CQSZACIVSA-N -1 3 381.519 3.252 20 0 GGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1Br ZINC000479287984 567522150 /nfs/dbraw/zinc/52/21/50/567522150.db2.gz SRSZVVYCPBWPBE-UHFFFAOYSA-N -1 3 376.251 3.475 20 0 GGADHM CC(C)(CO)[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccnc1 ZINC000529518623 567522384 /nfs/dbraw/zinc/52/23/84/567522384.db2.gz LDKKBQJCDKMZPP-OAHLLOKOSA-N -1 3 379.254 3.039 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529520378 567524395 /nfs/dbraw/zinc/52/43/95/567524395.db2.gz PAWFKYCLMNKFLV-HOSYDEDBSA-N -1 3 382.283 3.249 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3ncc(C)cc3C)nc(=O)c2c1C ZINC000594917627 567525506 /nfs/dbraw/zinc/52/55/06/567525506.db2.gz RUNHHWYNYUINRY-UHFFFAOYSA-N -1 3 375.475 3.384 20 0 GGADHM CCC[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438352142 567526280 /nfs/dbraw/zinc/52/62/80/567526280.db2.gz HIDUOHIHTXYSFT-LLVKDONJSA-N -1 3 381.420 3.227 20 0 GGADHM CCC[C@H](CC)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438352144 567527093 /nfs/dbraw/zinc/52/70/93/567527093.db2.gz HIDUOHIHTXYSFT-NSHDSACASA-N -1 3 381.420 3.227 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccc2c(n1)CCCC2 ZINC000571028570 567531324 /nfs/dbraw/zinc/53/13/24/567531324.db2.gz ZBVIORHTABGYGV-UHFFFAOYSA-N -1 3 390.281 3.428 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1OC(F)F ZINC000571036109 567531945 /nfs/dbraw/zinc/53/19/45/567531945.db2.gz XTALRXRDTRLXCT-IJLUTSLNSA-N -1 3 381.828 3.177 20 0 GGADHM CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC(C)(C)C1 ZINC000458216724 567533063 /nfs/dbraw/zinc/53/30/63/567533063.db2.gz VGQUKQLZUAYUHE-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(Br)cc1[O-] ZINC000458221646 567533680 /nfs/dbraw/zinc/53/36/80/567533680.db2.gz KJHVJICDBVVOQA-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM COc1cc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)cc(OC)c1[O-] ZINC000551763094 567534617 /nfs/dbraw/zinc/53/46/17/567534617.db2.gz KZTQEYHPLLBZFP-UHFFFAOYSA-N -1 3 392.209 3.301 20 0 GGADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1cncc(Br)c1 ZINC000504509069 567537493 /nfs/dbraw/zinc/53/74/93/567537493.db2.gz IEUGIPLNTZWETM-AWEZNQCLSA-N -1 3 383.267 3.036 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644177990 567538233 /nfs/dbraw/zinc/53/82/33/567538233.db2.gz VUHJVRZSUJUDJT-QMMMGPOBSA-N -1 3 382.335 3.369 20 0 GGADHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000504540532 567538325 /nfs/dbraw/zinc/53/83/25/567538325.db2.gz WUNQCEGINRRWBM-GFCCVEGCSA-N -1 3 386.926 3.215 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccncc1 ZINC000644189271 567539749 /nfs/dbraw/zinc/53/97/49/567539749.db2.gz NKZNJHDFWCUXCP-JTQLQIEISA-N -1 3 378.347 3.201 20 0 GGADHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000479495407 567539978 /nfs/dbraw/zinc/53/99/78/567539978.db2.gz GUAVOVYKSXIXAX-LLVKDONJSA-N -1 3 375.899 3.404 20 0 GGADHM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000479504745 567539988 /nfs/dbraw/zinc/53/99/88/567539988.db2.gz YHVDPNASUSWFJQ-LBPRGKRZSA-N -1 3 387.860 3.481 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCOCCC(C)C ZINC000620752408 567540637 /nfs/dbraw/zinc/54/06/37/567540637.db2.gz DXPHZZZJTYRYBP-UHFFFAOYSA-N -1 3 394.331 3.189 20 0 GGADHM CC(C)CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000504577736 567541368 /nfs/dbraw/zinc/54/13/68/567541368.db2.gz NBDHHJVKQHBESU-UHFFFAOYSA-N -1 3 392.974 3.497 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1F ZINC000504575755 567541611 /nfs/dbraw/zinc/54/16/11/567541611.db2.gz RJWHOQOUSBKXBZ-UHFFFAOYSA-N -1 3 384.860 3.213 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)s1 ZINC000644230418 567542562 /nfs/dbraw/zinc/54/25/62/567542562.db2.gz RQYDMXBGNNRMQS-AAEUAGOBSA-N -1 3 394.509 3.439 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC000644273929 567544553 /nfs/dbraw/zinc/54/45/53/567544553.db2.gz FCVLSOHZNLXHKM-PRHODGIISA-N -1 3 389.848 3.186 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1OC(F)F ZINC000571192733 567545102 /nfs/dbraw/zinc/54/51/02/567545102.db2.gz UDTAFEOTCJMQAH-LLVKDONJSA-N -1 3 379.400 3.055 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000571206983 567545171 /nfs/dbraw/zinc/54/51/71/567545171.db2.gz XRKUPYILTMCIFR-UHFFFAOYSA-N -1 3 379.459 3.322 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)s1 ZINC000479578221 567546077 /nfs/dbraw/zinc/54/60/77/567546077.db2.gz LKOBBNUEPCVSQH-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000644277762 567546273 /nfs/dbraw/zinc/54/62/73/567546273.db2.gz KTFQBSLQPODJRN-SMDDNHRTSA-N -1 3 385.835 3.417 20 0 GGADHM Cc1ccc(Br)cc1CN1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000571219326 567546487 /nfs/dbraw/zinc/54/64/87/567546487.db2.gz CUDUCQGSFHDVMN-IRXDYDNUSA-N -1 3 382.298 3.459 20 0 GGADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000644277592 567546660 /nfs/dbraw/zinc/54/66/60/567546660.db2.gz KTFQBSLQPODJRN-BXUZGUMPSA-N -1 3 385.835 3.417 20 0 GGADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000571248794 567547367 /nfs/dbraw/zinc/54/73/67/567547367.db2.gz WFPZSMADAZWQTP-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC000644323715 567547266 /nfs/dbraw/zinc/54/72/66/567547266.db2.gz JOWVCRFFMLFJTE-UHFFFAOYSA-N -1 3 377.491 3.265 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](c3nccn3C)C3CC3)s2)cs1 ZINC000551987537 567548229 /nfs/dbraw/zinc/54/82/29/567548229.db2.gz PFUMKXISTGLEER-OAHLLOKOSA-N -1 3 394.547 3.343 20 0 GGADHM CC(C)N1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000438896016 567551501 /nfs/dbraw/zinc/55/15/01/567551501.db2.gz QOSYUVFJEQREBY-UHFFFAOYSA-N -1 3 375.694 3.364 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1c(Cl)ccc2ccccc21 ZINC000438893780 567551957 /nfs/dbraw/zinc/55/19/57/567551957.db2.gz DCRHOEVNCXRKKZ-MRXNPFEDSA-N -1 3 375.877 3.375 20 0 GGADHM CCOC(=O)c1sc([N-]C(=O)c2cc(C3CC3)no2)nc1C(F)(F)F ZINC000571289008 567552032 /nfs/dbraw/zinc/55/20/32/567552032.db2.gz MGIUMGKHBICMCQ-UHFFFAOYSA-N -1 3 375.328 3.456 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(Br)ccc2C)s1 ZINC000438885717 567552035 /nfs/dbraw/zinc/55/20/35/567552035.db2.gz KLYJCRNRNHFKHK-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM COc1cccc2c1C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000458552583 567553134 /nfs/dbraw/zinc/55/31/34/567553134.db2.gz NCRCPRXWQCROCA-ZDUSSCGKSA-N -1 3 391.265 3.130 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000552060651 567554177 /nfs/dbraw/zinc/55/41/77/567554177.db2.gz CCDJJHROGYQPTB-QMMMGPOBSA-N -1 3 376.176 3.430 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000571342280 567554345 /nfs/dbraw/zinc/55/43/45/567554345.db2.gz ZFKYZFDNLNLFAA-MRVPVSSYSA-N -1 3 384.205 3.230 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000571342280 567554351 /nfs/dbraw/zinc/55/43/51/567554351.db2.gz ZFKYZFDNLNLFAA-MRVPVSSYSA-N -1 3 384.205 3.230 20 0 GGADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H](CO)C(C)C ZINC000458558479 567554490 /nfs/dbraw/zinc/55/44/90/567554490.db2.gz UKIMEBOTAIBITQ-XJKSGUPXSA-N -1 3 387.318 3.243 20 0 GGADHM COc1cc(C(=O)N=c2[nH][n-]cc2Br)ccc1OC1CCCC1 ZINC000552060574 567555132 /nfs/dbraw/zinc/55/51/32/567555132.db2.gz AXAKWQZVCKLYST-UHFFFAOYSA-N -1 3 380.242 3.176 20 0 GGADHM COC(=O)c1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C)CC=CCC1 ZINC000595339353 567556268 /nfs/dbraw/zinc/55/62/68/567556268.db2.gz YAJVCUZWJOPJPG-OAHLLOKOSA-N -1 3 388.283 3.013 20 0 GGADHM CN(C[C@H]1CC1(C)C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000621051495 567556466 /nfs/dbraw/zinc/55/64/66/567556466.db2.gz BVFZTWCGSGKXJC-GFCCVEGCSA-N -1 3 398.575 3.406 20 0 GGADHM O=C(CCc1ccc(Br)cc1F)Nc1nnc(-c2ccccn2)[n-]1 ZINC000621038234 567556491 /nfs/dbraw/zinc/55/64/91/567556491.db2.gz AMEWFINAWZOZGT-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1ccc(Br)cc1F)Nc1nc(-c2ccccn2)n[n-]1 ZINC000621038234 567556501 /nfs/dbraw/zinc/55/65/01/567556501.db2.gz AMEWFINAWZOZGT-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1ccc(Br)cc1F)Nc1n[n-]c(-c2ccccn2)n1 ZINC000621038234 567556503 /nfs/dbraw/zinc/55/65/03/567556503.db2.gz AMEWFINAWZOZGT-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM CCSC1(C[N-]S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000595349014 567556888 /nfs/dbraw/zinc/55/68/88/567556888.db2.gz SEKWJCNVDRRHSU-UHFFFAOYSA-N -1 3 380.329 3.022 20 0 GGADHM CC(C)CCc1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000505064867 567557070 /nfs/dbraw/zinc/55/70/70/567557070.db2.gz IPYRHZWOAXKYLZ-UHFFFAOYSA-N -1 3 392.308 3.486 20 0 GGADHM Cc1ncc(CNC(=O)c2sc3ccccc3c2Br)c(=O)[n-]1 ZINC000571369625 567557999 /nfs/dbraw/zinc/55/79/99/567557999.db2.gz WLTBYZSRZBBJBU-UHFFFAOYSA-N -1 3 378.251 3.398 20 0 GGADHM CN(Cc1ccc(F)cc1Br)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000505105297 567558469 /nfs/dbraw/zinc/55/84/69/567558469.db2.gz RNWLRRNBCJZTLO-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM CN(Cc1ccc(F)cc1Br)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000505105297 567558471 /nfs/dbraw/zinc/55/84/71/567558471.db2.gz RNWLRRNBCJZTLO-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM CN(Cc1ccc(F)cc1Br)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000505105297 567558472 /nfs/dbraw/zinc/55/84/72/567558472.db2.gz RNWLRRNBCJZTLO-UHFFFAOYSA-N -1 3 381.180 3.271 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000621116731 567560715 /nfs/dbraw/zinc/56/07/15/567560715.db2.gz YJGFPXSWQNVZEH-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000621116731 567560723 /nfs/dbraw/zinc/56/07/23/567560723.db2.gz YJGFPXSWQNVZEH-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CCCC1)c1cnn2c1OCCC2 ZINC000571416170 567560752 /nfs/dbraw/zinc/56/07/52/567560752.db2.gz CJUGRYRRJNYKEP-UHFFFAOYSA-N -1 3 381.885 3.067 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc(F)cc2nn[n-]c21 ZINC000505130120 567561083 /nfs/dbraw/zinc/56/10/83/567561083.db2.gz PIRHYUDPJZCURB-LBPRGKRZSA-N -1 3 393.241 3.436 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc(F)cc2[n-]nnc21 ZINC000505130120 567561086 /nfs/dbraw/zinc/56/10/86/567561086.db2.gz PIRHYUDPJZCURB-LBPRGKRZSA-N -1 3 393.241 3.436 20 0 GGADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc(F)cc2n[n-]nc21 ZINC000505130120 567561090 /nfs/dbraw/zinc/56/10/90/567561090.db2.gz PIRHYUDPJZCURB-LBPRGKRZSA-N -1 3 393.241 3.436 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000505131204 567561758 /nfs/dbraw/zinc/56/17/58/567561758.db2.gz YABBWVVSELXPQA-VIFPVBQESA-N -1 3 393.317 3.211 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc2c(cc1Cl)CCC2 ZINC000530020351 567561712 /nfs/dbraw/zinc/56/17/12/567561712.db2.gz WWRGBUYITRNQAL-JTQLQIEISA-N -1 3 384.910 3.196 20 0 GGADHM Ic1ccccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000571470759 567564623 /nfs/dbraw/zinc/56/46/23/567564623.db2.gz NMJFKPKXDCXDRN-UHFFFAOYSA-N -1 3 389.156 3.280 20 0 GGADHM Cn1[n-]c(=NC(=O)c2cc(F)c(Br)c(Cl)c2)cc1OC(F)F ZINC000552160187 567565160 /nfs/dbraw/zinc/56/51/60/567565160.db2.gz BPGQIWKOUDVIOZ-UHFFFAOYSA-N -1 3 398.566 3.251 20 0 GGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3cccc(Br)c3F)cn21 ZINC000571479984 567566852 /nfs/dbraw/zinc/56/68/52/567566852.db2.gz VVYOUHYKIJTISL-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000479910580 567567929 /nfs/dbraw/zinc/56/79/29/567567929.db2.gz CUUXHMLTAHLOJU-GUYCJALGSA-N -1 3 385.917 3.247 20 0 GGADHM O=C(Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1)C1CN(CC(F)(F)F)C1 ZINC000505275942 567568267 /nfs/dbraw/zinc/56/82/67/567568267.db2.gz YQROWZBTSZLXDH-UHFFFAOYSA-N -1 3 394.184 3.211 20 0 GGADHM O=S(=O)([N-][C@@H](Cc1nnc[nH]1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000439191605 567570435 /nfs/dbraw/zinc/57/04/35/567570435.db2.gz RGSPEJGJICTTPW-ZDUSSCGKSA-N -1 3 397.287 3.374 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccc(C)o1 ZINC000479950419 567571548 /nfs/dbraw/zinc/57/15/48/567571548.db2.gz QWFBGKUDQXROMF-OAHLLOKOSA-N -1 3 387.885 3.447 20 0 GGADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000479967684 567571770 /nfs/dbraw/zinc/57/17/70/567571770.db2.gz UKKHYMACJQRVCX-PRHODGIISA-N -1 3 385.237 3.373 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000571557018 567572076 /nfs/dbraw/zinc/57/20/76/567572076.db2.gz SPVJTKHAAIITPW-MSOLQXFVSA-N -1 3 387.929 3.152 20 0 GGADHM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1cc(C(F)(F)F)ccc1F ZINC000439201693 567572405 /nfs/dbraw/zinc/57/24/05/567572405.db2.gz LALDIHQLNDQVEX-CQSZACIVSA-N -1 3 385.379 3.056 20 0 GGADHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000479991155 567572911 /nfs/dbraw/zinc/57/29/11/567572911.db2.gz UKYOSAXZIGOCED-BMIGLBTASA-N -1 3 375.277 3.443 20 0 GGADHM COc1cc(CN(C)Cc2nc3ccsc3c(=O)[n-]2)c(Br)cn1 ZINC000621279090 567573293 /nfs/dbraw/zinc/57/32/93/567573293.db2.gz IEBWOSJPJDHWBX-UHFFFAOYSA-N -1 3 395.282 3.195 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc4c(cc3Cl)CCC4)cc12 ZINC000530144479 567573864 /nfs/dbraw/zinc/57/38/64/567573864.db2.gz IEHWACGVSKJOGM-UHFFFAOYSA-N -1 3 376.869 3.220 20 0 GGADHM O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000571591670 567575241 /nfs/dbraw/zinc/57/52/41/567575241.db2.gz IDASYBSNFNAYOP-UHFFFAOYSA-N -1 3 393.081 3.085 20 0 GGADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530155836 567576152 /nfs/dbraw/zinc/57/61/52/567576152.db2.gz KSRKTRWCRKWYIY-UHFFFAOYSA-N -1 3 376.865 3.285 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)cc3c2N1CC3 ZINC000530155702 567576851 /nfs/dbraw/zinc/57/68/51/567576851.db2.gz IBFDDVWBISZVJY-UHFFFAOYSA-N -1 3 398.271 3.025 20 0 GGADHM C[C@@H]1OCCC[C@@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000480046422 567577089 /nfs/dbraw/zinc/57/70/89/567577089.db2.gz QPQBVRLCWUKGIB-ZANVPECISA-N -1 3 382.233 3.154 20 0 GGADHM COC1(CC(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1 ZINC000480048625 567577158 /nfs/dbraw/zinc/57/71/58/567577158.db2.gz YIMYHSVRAHLWHL-UHFFFAOYSA-N -1 3 382.233 3.298 20 0 GGADHM C[C@H]1OCCC[C@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000480046414 567577298 /nfs/dbraw/zinc/57/72/98/567577298.db2.gz QPQBVRLCWUKGIB-NOZJJQNGSA-N -1 3 382.233 3.154 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C(F)(F)F ZINC000664619420 567578610 /nfs/dbraw/zinc/57/86/10/567578610.db2.gz PUWLWCHERHPRAZ-RXMQYKEDSA-N -1 3 378.656 3.244 20 0 GGADHM CCCC[C@@H](C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C(C)C ZINC000621343275 567579384 /nfs/dbraw/zinc/57/93/84/567579384.db2.gz AHJAREAKUCZFPQ-MRXNPFEDSA-N -1 3 386.583 3.480 20 0 GGADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cnn(Cc2ccccc2)c1 ZINC000480101733 567580535 /nfs/dbraw/zinc/58/05/35/567580535.db2.gz ZEUZEEUZTZJCFY-UHFFFAOYSA-N -1 3 383.260 3.434 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000571677093 567581028 /nfs/dbraw/zinc/58/10/28/567581028.db2.gz KAHMUPRRELRBAP-VFZGTOFNSA-N -1 3 386.242 3.389 20 0 GGADHM CN(CCCN(C)C(=O)c1ccc(Br)cc1[O-])Cc1ccncc1 ZINC000552360585 567582410 /nfs/dbraw/zinc/58/24/10/567582410.db2.gz KSTDZTOPPAGUMV-UHFFFAOYSA-N -1 3 392.297 3.144 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(OC)n1 ZINC000571690778 567582417 /nfs/dbraw/zinc/58/24/17/567582417.db2.gz LZAIAXOCBRRVAL-UHFFFAOYSA-N -1 3 391.276 3.193 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccsc1Cl ZINC000571727289 567585481 /nfs/dbraw/zinc/58/54/81/567585481.db2.gz DLFMKWHKGSIKRC-UHFFFAOYSA-N -1 3 398.815 3.337 20 0 GGADHM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000595847901 567586976 /nfs/dbraw/zinc/58/69/76/567586976.db2.gz IREHCLQFCUZMOR-WMLDXEAASA-N -1 3 399.285 3.076 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2Br)c(F)c1 ZINC000480194734 567587483 /nfs/dbraw/zinc/58/74/83/567587483.db2.gz IVYKYUFLAPXTCB-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cncc(Br)c1 ZINC000480230037 567589981 /nfs/dbraw/zinc/58/99/81/567589981.db2.gz BVCMTGLYTYVUGN-UHFFFAOYSA-N -1 3 383.054 3.347 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1CCC[C@@H](O)C1 ZINC000439500363 567590413 /nfs/dbraw/zinc/59/04/13/567590413.db2.gz QLJOSQQBFQLDSQ-MWLCHTKSSA-N -1 3 398.688 3.404 20 0 GGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000530296132 567590858 /nfs/dbraw/zinc/59/08/58/567590858.db2.gz UBLYSJWCESBYDP-UHFFFAOYSA-N -1 3 378.259 3.496 20 0 GGADHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc([O-])ccc1Br ZINC000505682620 567591936 /nfs/dbraw/zinc/59/19/36/567591936.db2.gz GJILYBXOQVCIAU-UHFFFAOYSA-N -1 3 395.272 3.432 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439561994 567593157 /nfs/dbraw/zinc/59/31/57/567593157.db2.gz JVIZUPCAHBZFDB-UHFFFAOYSA-N -1 3 381.866 3.110 20 0 GGADHM Cc1cc(S(=O)(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)sc1C ZINC000571847363 567593677 /nfs/dbraw/zinc/59/36/77/567593677.db2.gz BDLDMYDUWRNSCP-UHFFFAOYSA-N -1 3 382.898 3.037 20 0 GGADHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000530347111 567595128 /nfs/dbraw/zinc/59/51/28/567595128.db2.gz ZDAFANDJFXOFCA-LURJTMIESA-N -1 3 380.779 3.089 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000571870027 567595196 /nfs/dbraw/zinc/59/51/96/567595196.db2.gz YVVCWNQRDKJCFM-QLJPJBMISA-N -1 3 398.278 3.258 20 0 GGADHM CC(C)CC(CC(C)C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505770994 567595517 /nfs/dbraw/zinc/59/55/17/567595517.db2.gz JZMZKNFUWMQOCB-UHFFFAOYSA-N -1 3 380.963 3.257 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000571870024 567595632 /nfs/dbraw/zinc/59/56/32/567595632.db2.gz YVVCWNQRDKJCFM-HWPZZCPQSA-N -1 3 398.278 3.258 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000439651054 567597251 /nfs/dbraw/zinc/59/72/51/567597251.db2.gz RGXBISBXXOXXOI-FZMZJTMJSA-N -1 3 380.432 3.084 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1C ZINC000530385539 567598227 /nfs/dbraw/zinc/59/82/27/567598227.db2.gz XUVTWHMJUKUXAM-UHFFFAOYSA-N -1 3 380.272 3.444 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1F ZINC000552604010 567598883 /nfs/dbraw/zinc/59/88/83/567598883.db2.gz LNYBATUHGOMGOX-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM O=C([O-])[C@H](CC1CC1)NCc1cc(Cl)ccc1I ZINC000596020911 567599174 /nfs/dbraw/zinc/59/91/74/567599174.db2.gz MZEQFJHNWBLHLW-LBPRGKRZSA-N -1 3 379.625 3.288 20 0 GGADHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000480384218 567600176 /nfs/dbraw/zinc/60/01/76/567600176.db2.gz DADOKBADGZWIQK-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000480383853 567600269 /nfs/dbraw/zinc/60/02/69/567600269.db2.gz CQHNYUVZQFNWFI-OAHLLOKOSA-N -1 3 382.888 3.280 20 0 GGADHM CCCC[C@@H](CC)CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439762449 567600727 /nfs/dbraw/zinc/60/07/27/567600727.db2.gz BJVFHIWZCXYMDW-CQSZACIVSA-N -1 3 387.512 3.044 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480407684 567601006 /nfs/dbraw/zinc/60/10/06/567601006.db2.gz IEWUAJZMLDNBJY-JTQLQIEISA-N -1 3 383.844 3.077 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1F ZINC000480398406 567601283 /nfs/dbraw/zinc/60/12/83/567601283.db2.gz UMZWANRCUJSKIQ-OAHLLOKOSA-N -1 3 382.888 3.280 20 0 GGADHM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1cccc(Cl)c1Cl ZINC000480419099 567602036 /nfs/dbraw/zinc/60/20/36/567602036.db2.gz ZSJIWKBSPFHNTL-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530438512 567603144 /nfs/dbraw/zinc/60/31/44/567603144.db2.gz NPJVDZIVZPYQRM-NSHDSACASA-N -1 3 394.251 3.153 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(Br)cc3C2)c1 ZINC000552695044 567603386 /nfs/dbraw/zinc/60/33/86/567603386.db2.gz NMQOHSHMGLQRIN-UHFFFAOYSA-N -1 3 389.249 3.312 20 0 GGADHM Cc1c(S(=O)(=O)[N-]CC2(C(F)F)CC2)cnn1-c1ccc(Cl)cc1 ZINC000480425591 567603400 /nfs/dbraw/zinc/60/34/00/567603400.db2.gz KBMIYYNLKWCPKP-UHFFFAOYSA-N -1 3 375.828 3.158 20 0 GGADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000480431994 567604673 /nfs/dbraw/zinc/60/46/73/567604673.db2.gz AKHMZDCAWBOQJJ-NSHDSACASA-N -1 3 395.855 3.079 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2SC(C)C)ccc1F ZINC000552727220 567604741 /nfs/dbraw/zinc/60/47/41/567604741.db2.gz PZEAKUXMISFHHM-UHFFFAOYSA-N -1 3 382.482 3.487 20 0 GGADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000480431992 567604763 /nfs/dbraw/zinc/60/47/63/567604763.db2.gz AKHMZDCAWBOQJJ-LLVKDONJSA-N -1 3 395.855 3.079 20 0 GGADHM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000480437861 567604848 /nfs/dbraw/zinc/60/48/48/567604848.db2.gz LWVDJKUXDJKPKY-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(Br)c2)s1 ZINC000645094396 567605445 /nfs/dbraw/zinc/60/54/45/567605445.db2.gz JRNJCVXSLGMENY-SSDOTTSWSA-N -1 3 379.276 3.393 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000645105749 567605938 /nfs/dbraw/zinc/60/59/38/567605938.db2.gz FRMQUSZUPQTVGA-LLVKDONJSA-N -1 3 391.251 3.028 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C)n2)cc1Cl ZINC000480450659 567606060 /nfs/dbraw/zinc/60/60/60/567606060.db2.gz VYPUUQFMHOVVKD-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)c(F)c1 ZINC000530480472 567606098 /nfs/dbraw/zinc/60/60/98/567606098.db2.gz ZSHIIPFQEMADGR-GFCCVEGCSA-N -1 3 383.466 3.071 20 0 GGADHM COc1cc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)ccc1[O-] ZINC000480447574 567606178 /nfs/dbraw/zinc/60/61/78/567606178.db2.gz KRZFODJCUCNECA-NVXWUHKLSA-N -1 3 382.243 3.438 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000506002616 567606383 /nfs/dbraw/zinc/60/63/83/567606383.db2.gz ORKCDRWJIMSYLC-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000506002616 567606389 /nfs/dbraw/zinc/60/63/89/567606389.db2.gz ORKCDRWJIMSYLC-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM Cc1ccc(I)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000506002616 567606390 /nfs/dbraw/zinc/60/63/90/567606390.db2.gz ORKCDRWJIMSYLC-UHFFFAOYSA-N -1 3 396.163 3.262 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2nc3ccc(Br)cc3n2CC)cs1 ZINC000552779411 567607768 /nfs/dbraw/zinc/60/77/68/567607768.db2.gz WZYNGTXWGVMSFW-UHFFFAOYSA-N -1 3 394.298 3.381 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)c(Cl)cc1F ZINC000439960664 567609346 /nfs/dbraw/zinc/60/93/46/567609346.db2.gz GPSNBBDAIMNWFG-UHFFFAOYSA-N -1 3 386.210 3.390 20 0 GGADHM Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1cccc([O-])c1Cl ZINC000645181636 567609511 /nfs/dbraw/zinc/60/95/11/567609511.db2.gz CMPJKHJGQRXBGW-UHFFFAOYSA-N -1 3 389.304 3.076 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(Cl)cccc2n1 ZINC000552787701 567609745 /nfs/dbraw/zinc/60/97/45/567609745.db2.gz VEVGPUMDROBKGX-JTQLQIEISA-N -1 3 395.893 3.255 20 0 GGADHM COc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1Cl ZINC000506112069 567610929 /nfs/dbraw/zinc/61/09/29/567610929.db2.gz IQOKNMPKFNCCJE-UHFFFAOYSA-N -1 3 380.629 3.433 20 0 GGADHM O=C(c1ccccc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459286924 567611550 /nfs/dbraw/zinc/61/15/50/567611550.db2.gz YQZPKATVUCIXFO-UHFFFAOYSA-N -1 3 375.266 3.113 20 0 GGADHM CN1C(=O)C[C@@H](C(=O)Nc2ncccc2[O-])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000480577798 567612445 /nfs/dbraw/zinc/61/24/45/567612445.db2.gz MUOJCRQFVSQIKT-BMIGLBTASA-N -1 3 380.231 3.252 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1cccc(F)c1Br ZINC000572098174 567612421 /nfs/dbraw/zinc/61/24/21/567612421.db2.gz SOKMIMOUEFULQM-UHFFFAOYSA-N -1 3 398.232 3.368 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1cccc(F)c1Br ZINC000572098174 567612423 /nfs/dbraw/zinc/61/24/23/567612423.db2.gz SOKMIMOUEFULQM-UHFFFAOYSA-N -1 3 398.232 3.368 20 0 GGADHM O=c1cc(CN2CCO[C@@H](c3ccc(Br)cc3)C2)nc(C2CC2)[n-]1 ZINC000459292996 567613522 /nfs/dbraw/zinc/61/35/22/567613522.db2.gz DYHAYKORBCAYKC-MRXNPFEDSA-N -1 3 390.281 3.396 20 0 GGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1Br ZINC000480916363 567642653 /nfs/dbraw/zinc/64/26/53/567642653.db2.gz ZDRFYABBRHMSBA-QMMMGPOBSA-N -1 3 390.221 3.467 20 0 GGADHM O=c1cc(CN2CCO[C@@H](c3cccc(Br)c3)C2)nc(C2CC2)[n-]1 ZINC000459317916 567614138 /nfs/dbraw/zinc/61/41/38/567614138.db2.gz BMZJRDLUSQNHNR-MRXNPFEDSA-N -1 3 390.281 3.396 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](C)CCCOC)c(F)cc1F ZINC000480599337 567614451 /nfs/dbraw/zinc/61/44/51/567614451.db2.gz YLOMFCCJTAFIFK-NSHDSACASA-N -1 3 378.441 3.118 20 0 GGADHM CN(Cc1cccc([O-])c1Br)C[C@H](O)COCc1ccccc1 ZINC000459324041 567615433 /nfs/dbraw/zinc/61/54/33/567615433.db2.gz KEEOSXIZGDCYNQ-INIZCTEOSA-N -1 3 380.282 3.164 20 0 GGADHM O=C(Nc1cccc(I)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000572126028 567615488 /nfs/dbraw/zinc/61/54/88/567615488.db2.gz TVMMXYXWMJYTHQ-UHFFFAOYSA-N -1 3 381.095 3.285 20 0 GGADHM O=C(Nc1cccc(I)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000572126028 567615492 /nfs/dbraw/zinc/61/54/92/567615492.db2.gz TVMMXYXWMJYTHQ-UHFFFAOYSA-N -1 3 381.095 3.285 20 0 GGADHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083181 567615790 /nfs/dbraw/zinc/61/57/90/567615790.db2.gz SLWSNBGOYPSIIX-NWDGAFQWSA-N -1 3 382.423 3.243 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000459352076 567616557 /nfs/dbraw/zinc/61/65/57/567616557.db2.gz LFELXAGUKRHXLF-UHFFFAOYSA-N -1 3 393.563 3.346 20 0 GGADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)CCCSC ZINC000440127451 567617103 /nfs/dbraw/zinc/61/71/03/567617103.db2.gz TZINKKOCOUGLIE-UHFFFAOYSA-N -1 3 386.539 3.198 20 0 GGADHM C[C@@H](c1cccnc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459340218 567617290 /nfs/dbraw/zinc/61/72/90/567617290.db2.gz FFXUUAFCCUBXNY-AWEZNQCLSA-N -1 3 376.298 3.429 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)s1 ZINC000506256383 567618192 /nfs/dbraw/zinc/61/81/92/567618192.db2.gz XEXPYDYIWCJIRV-QMMMGPOBSA-N -1 3 378.928 3.139 20 0 GGADHM CN(C)C(=O)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000506262324 567618413 /nfs/dbraw/zinc/61/84/13/567618413.db2.gz DLIRRSXZSMQZBT-UHFFFAOYSA-N -1 3 393.317 3.235 20 0 GGADHM CN(Cc1cccc([O-])c1Br)C1CCN(c2cccnn2)CC1 ZINC000459357856 567618614 /nfs/dbraw/zinc/61/86/14/567618614.db2.gz WPIODKMGWRFGMS-UHFFFAOYSA-N -1 3 377.286 3.046 20 0 GGADHM C[C@H]1CN(c2ccc(CNCc3cccc([O-])c3Br)cn2)CCO1 ZINC000459382672 567619949 /nfs/dbraw/zinc/61/99/49/567619949.db2.gz WUUQOZPADBOMMQ-ZDUSSCGKSA-N -1 3 392.297 3.065 20 0 GGADHM [O-]c1cccc(CNC2CCN(Cc3ccccn3)CC2)c1Br ZINC000459395748 567620160 /nfs/dbraw/zinc/62/01/60/567620160.db2.gz UYKDYUVQCIMHSD-UHFFFAOYSA-N -1 3 376.298 3.304 20 0 GGADHM [O-]c1cccc(CNC[C@H](c2ccccc2)N2CCOCC2)c1Br ZINC000459395173 567620259 /nfs/dbraw/zinc/62/02/59/567620259.db2.gz UYMICLMNTNSHSP-QGZVFWFLSA-N -1 3 391.309 3.318 20 0 GGADHM CN(C)C(=O)C[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459381019 567620378 /nfs/dbraw/zinc/62/03/78/567620378.db2.gz BXBSRIRHPVETOD-HNNXBMFYSA-N -1 3 377.282 3.464 20 0 GGADHM CSc1nc(NC(=O)c2ccc(Br)cc2Br)n[n-]1 ZINC000507282328 567673235 /nfs/dbraw/zinc/67/32/35/567673235.db2.gz JJWUNDUBAGURGU-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC(F)F)c(F)c1 ZINC000480708798 567622569 /nfs/dbraw/zinc/62/25/69/567622569.db2.gz UHAWCCJMNOMCRJ-UHFFFAOYSA-N -1 3 375.368 3.223 20 0 GGADHM [O-]c1cccc(CNCCc2cc(F)cc3c2OCOC3)c1Br ZINC000459406819 567622656 /nfs/dbraw/zinc/62/26/56/567622656.db2.gz LNOHCZRDMGOVIE-UHFFFAOYSA-N -1 3 382.229 3.493 20 0 GGADHM CCc1[n-][nH]c(=NC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1C ZINC000480698910 567622935 /nfs/dbraw/zinc/62/29/35/567622935.db2.gz DAUJSDFDXJVDCX-UHFFFAOYSA-N -1 3 379.251 3.261 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1cc(Br)ccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000530777714 567623311 /nfs/dbraw/zinc/62/33/11/567623311.db2.gz OWCYBTCKECJYTP-OZVIIMIRSA-N -1 3 385.302 3.227 20 0 GGADHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000480713495 567623655 /nfs/dbraw/zinc/62/36/55/567623655.db2.gz WAZLCOICFGPKGI-UHFFFAOYSA-N -1 3 380.647 3.183 20 0 GGADHM Cc1c(CC(=O)Nc2cc(Br)ccc2[O-])nnn1-c1ccccc1 ZINC000530777650 567623783 /nfs/dbraw/zinc/62/37/83/567623783.db2.gz JYEOACFNEDTJIG-UHFFFAOYSA-N -1 3 387.237 3.225 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)s1 ZINC000480735414 567624668 /nfs/dbraw/zinc/62/46/68/567624668.db2.gz FLQDQPOCJDWBRX-SECBINFHSA-N -1 3 398.344 3.218 20 0 GGADHM CC(C)Nc1ccc(F)cc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000530820398 567624848 /nfs/dbraw/zinc/62/48/48/567624848.db2.gz BEUJUAFRDWCUAG-UHFFFAOYSA-N -1 3 385.486 3.015 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1c(F)cc(Br)cc1F ZINC000530794538 567624943 /nfs/dbraw/zinc/62/49/43/567624943.db2.gz MQAJVDHUNKGZMF-UHFFFAOYSA-N -1 3 388.168 3.188 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1c(F)cc(Br)cc1F ZINC000530794538 567624949 /nfs/dbraw/zinc/62/49/49/567624949.db2.gz MQAJVDHUNKGZMF-UHFFFAOYSA-N -1 3 388.168 3.188 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)N2CCc3sccc3C2)c(F)cc1F ZINC000440384187 567625051 /nfs/dbraw/zinc/62/50/51/567625051.db2.gz PZXUECLNKADQHE-LBPRGKRZSA-N -1 3 386.489 3.060 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1nnc(-c2cccs2)o1 ZINC000506421457 567625081 /nfs/dbraw/zinc/62/50/81/567625081.db2.gz KELVBYMWGVNEKC-MRVPVSSYSA-N -1 3 378.435 3.242 20 0 GGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000480728543 567625069 /nfs/dbraw/zinc/62/50/69/567625069.db2.gz QFDMACHUIFBGFA-JTQLQIEISA-N -1 3 385.379 3.243 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(-c3cccs3)o2)ccc1F ZINC000553075181 567625301 /nfs/dbraw/zinc/62/53/01/567625301.db2.gz XYLMTMNEAZIGMY-UHFFFAOYSA-N -1 3 380.422 3.308 20 0 GGADHM CCO[C@H](CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000530819438 567625558 /nfs/dbraw/zinc/62/55/58/567625558.db2.gz SKNMQBYBNOCXGO-QGZVFWFLSA-N -1 3 395.297 3.472 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(Cl)cccc2n1 ZINC000553081416 567625870 /nfs/dbraw/zinc/62/58/70/567625870.db2.gz PMKMTNXBTHSTBU-UHFFFAOYSA-N -1 3 395.893 3.257 20 0 GGADHM [O-]c1cccc(CNc2cccnc2N2CCC(O)CC2)c1Br ZINC000459448454 567625957 /nfs/dbraw/zinc/62/59/57/567625957.db2.gz HSIGMNUVRIHEEB-UHFFFAOYSA-N -1 3 378.270 3.123 20 0 GGADHM [O-]c1cccc(CNCc2cc(F)ccc2N2CCOCC2)c1Br ZINC000459445914 567625966 /nfs/dbraw/zinc/62/59/66/567625966.db2.gz ODRYUVWGJCPRSP-UHFFFAOYSA-N -1 3 395.272 3.420 20 0 GGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000480735763 567626281 /nfs/dbraw/zinc/62/62/81/567626281.db2.gz AAPDLKYGROWJFS-SNVBAGLBSA-N -1 3 385.379 3.243 20 0 GGADHM O=S(=O)(NCc1ncccc1[O-])c1cc(Cl)ccc1OCCC1CC1 ZINC000480740295 567626446 /nfs/dbraw/zinc/62/64/46/567626446.db2.gz KUXACGPZWIOGAT-UHFFFAOYSA-N -1 3 382.869 3.098 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n1 ZINC000645449743 567626606 /nfs/dbraw/zinc/62/66/06/567626606.db2.gz NLIZHRBAJNWKAJ-UHFFFAOYSA-N -1 3 386.804 3.482 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000480747517 567627495 /nfs/dbraw/zinc/62/74/95/567627495.db2.gz IPIAAEFUKDMDGK-UHFFFAOYSA-N -1 3 387.910 3.408 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)cc1Cl ZINC000480747361 567627654 /nfs/dbraw/zinc/62/76/54/567627654.db2.gz SXKWWFBTJIGSCI-SNVBAGLBSA-N -1 3 398.308 3.401 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1OC(F)F ZINC000645459940 567627843 /nfs/dbraw/zinc/62/78/43/567627843.db2.gz XAIRCBQUJXPFPY-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Br)s2)CCCCC1 ZINC000530856977 567628431 /nfs/dbraw/zinc/62/84/31/567628431.db2.gz YTCFGMJRTKKGRS-UHFFFAOYSA-N -1 3 396.328 3.055 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc23)o1 ZINC000480766400 567628487 /nfs/dbraw/zinc/62/84/87/567628487.db2.gz FHEYUYDCBDTFDU-UHFFFAOYSA-N -1 3 385.850 3.413 20 0 GGADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)Cc1ccccc1 ZINC000480757339 567628500 /nfs/dbraw/zinc/62/85/00/567628500.db2.gz QLADNYRQYDMHIX-UGSOOPFHSA-N -1 3 385.888 3.387 20 0 GGADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000480757939 567628782 /nfs/dbraw/zinc/62/87/82/567628782.db2.gz RIUKCQJYHJUBEE-CYBMUJFWSA-N -1 3 382.507 3.209 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)o1 ZINC000480759307 567629045 /nfs/dbraw/zinc/62/90/45/567629045.db2.gz PCVFMARZFOWZDE-UHFFFAOYSA-N -1 3 398.487 3.038 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(OC(F)F)c1 ZINC000645471848 567629220 /nfs/dbraw/zinc/62/92/20/567629220.db2.gz DVDSLHWSLLKUPV-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM C[C@H](c1ccccc1)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000553139155 567629169 /nfs/dbraw/zinc/62/91/69/567629169.db2.gz CRGBPKIREKCZGZ-GFCCVEGCSA-N -1 3 398.937 3.432 20 0 GGADHM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cccc([O-])c1Br ZINC000459493751 567629495 /nfs/dbraw/zinc/62/94/95/567629495.db2.gz PULIGUWPVFTFHK-GUYCJALGSA-N -1 3 380.286 3.125 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@@H]1CC12CCOCC2 ZINC000530897083 567629738 /nfs/dbraw/zinc/62/97/38/567629738.db2.gz YXTNUTBKLJYSOF-NSHDSACASA-N -1 3 395.232 3.129 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@H]1CC12CCOCC2 ZINC000530897076 567630260 /nfs/dbraw/zinc/63/02/60/567630260.db2.gz YXTNUTBKLJYSOF-LLVKDONJSA-N -1 3 395.232 3.129 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000480778348 567631022 /nfs/dbraw/zinc/63/10/22/567631022.db2.gz KBWJMHGQCOYOCM-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccc1 ZINC000480783190 567631145 /nfs/dbraw/zinc/63/11/45/567631145.db2.gz BONABUWAZNZURV-ACJLOTCBSA-N -1 3 385.888 3.387 20 0 GGADHM COC(=O)[C@@](C)(CNCc1cccc([O-])c1Br)c1ccccc1 ZINC000459496769 567631166 /nfs/dbraw/zinc/63/11/66/567631166.db2.gz PWQDEDRYHZLYJS-SFHVURJKSA-N -1 3 378.266 3.375 20 0 GGADHM O=S(=O)([N-]CCN1CC=CCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000480785733 567631227 /nfs/dbraw/zinc/63/12/27/567631227.db2.gz ISPYGEMOYRTESU-UHFFFAOYSA-N -1 3 384.929 3.059 20 0 GGADHM CCOc1cc(CNCc2ccc(S(C)(=O)=O)s2)cc(Cl)c1[O-] ZINC000459498633 567631296 /nfs/dbraw/zinc/63/12/96/567631296.db2.gz VRLQTYSBHXSEBN-UHFFFAOYSA-N -1 3 375.899 3.199 20 0 GGADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1ccccc1 ZINC000480785491 567631455 /nfs/dbraw/zinc/63/14/55/567631455.db2.gz IEBIREUNMLPPRH-ACJLOTCBSA-N -1 3 385.888 3.387 20 0 GGADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000506552696 567631479 /nfs/dbraw/zinc/63/14/79/567631479.db2.gz MUPGTMOERCDKHV-UHFFFAOYSA-N -1 3 387.816 3.465 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000572333043 567631718 /nfs/dbraw/zinc/63/17/18/567631718.db2.gz VGHMXTDBKFTQPW-GDLCADMTSA-N -1 3 392.290 3.070 20 0 GGADHM Cc1ccc(CNCc2cccc([O-])c2Br)cc1S(C)(=O)=O ZINC000459508981 567632001 /nfs/dbraw/zinc/63/20/01/567632001.db2.gz NOLBAMJAPYEZQN-UHFFFAOYSA-N -1 3 384.295 3.156 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)on1 ZINC000645491986 567632280 /nfs/dbraw/zinc/63/22/80/567632280.db2.gz MHGNOUPRYNHAEQ-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)s1 ZINC000530956142 567632475 /nfs/dbraw/zinc/63/24/75/567632475.db2.gz VGHFTSUPEFHTRP-UHFFFAOYSA-N -1 3 393.559 3.480 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)sc1Br ZINC000530956909 567632618 /nfs/dbraw/zinc/63/26/18/567632618.db2.gz TTYRCVOCBMRGDF-UHFFFAOYSA-N -1 3 388.308 3.232 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000622043087 567633319 /nfs/dbraw/zinc/63/33/19/567633319.db2.gz RKQSNTZSNZTJAI-SECBINFHSA-N -1 3 379.791 3.497 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2nccc(C)n2)c(Cl)c1Cl ZINC000622041682 567633391 /nfs/dbraw/zinc/63/33/91/567633391.db2.gz GYOPAUSFBONNBT-SECBINFHSA-N -1 3 376.265 3.140 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000622041577 567633507 /nfs/dbraw/zinc/63/35/07/567633507.db2.gz DLQJRFGLKPQZRR-VIFPVBQESA-N -1 3 379.791 3.497 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000622042514 567633848 /nfs/dbraw/zinc/63/38/48/567633848.db2.gz BECLKZCRDRAPOC-SECBINFHSA-N -1 3 379.791 3.497 20 0 GGADHM CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2cccc([O-])c2Br)C1 ZINC000459537606 567633850 /nfs/dbraw/zinc/63/38/50/567633850.db2.gz ROEIFFSYCGBWPB-WCQYABFASA-N -1 3 395.219 3.186 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccnn1CCc1ccccc1)C(F)(F)F ZINC000622040111 567633924 /nfs/dbraw/zinc/63/39/24/567633924.db2.gz GBNZSJANTQCLFM-HNNXBMFYSA-N -1 3 375.416 3.135 20 0 GGADHM CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2cccc([O-])c2Br)C1 ZINC000459537607 567634069 /nfs/dbraw/zinc/63/40/69/567634069.db2.gz ROEIFFSYCGBWPB-YPMHNXCESA-N -1 3 395.219 3.186 20 0 GGADHM CC[C@@H](CO)NC(=O)c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459523015 567634595 /nfs/dbraw/zinc/63/45/95/567634595.db2.gz FPHAZBXRSQXQOD-AWEZNQCLSA-N -1 3 393.281 3.268 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2 ZINC000645513677 567634959 /nfs/dbraw/zinc/63/49/59/567634959.db2.gz KSCIEBKLLORHQT-UHFFFAOYSA-N -1 3 384.498 3.081 20 0 GGADHM CCCCCN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000506643966 567634993 /nfs/dbraw/zinc/63/49/93/567634993.db2.gz XBCGQTZMJGSILA-UHFFFAOYSA-N -1 3 395.978 3.290 20 0 GGADHM COC[C@@]1(CNCc2cccc([O-])c2Br)OCCc2ccccc21 ZINC000459556528 567635521 /nfs/dbraw/zinc/63/55/21/567635521.db2.gz BLAJRPQSUULREX-LJQANCHMSA-N -1 3 392.293 3.359 20 0 GGADHM CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCCC1 ZINC000506641459 567635673 /nfs/dbraw/zinc/63/56/73/567635673.db2.gz CHAXSEWXSDTHLN-UHFFFAOYSA-N -1 3 393.962 3.044 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc3cc(Cl)ccc3s2)o1 ZINC000506637083 567635828 /nfs/dbraw/zinc/63/58/28/567635828.db2.gz RJQFWGJPZZCBAO-UHFFFAOYSA-N -1 3 385.854 3.045 20 0 GGADHM CC(C)CN(CC(C)C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000506649830 567635960 /nfs/dbraw/zinc/63/59/60/567635960.db2.gz CSRLLXMYRNOUQP-UHFFFAOYSA-N -1 3 395.978 3.003 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000530998393 567635983 /nfs/dbraw/zinc/63/59/83/567635983.db2.gz HXXSPMAOOBKGIQ-CQSZACIVSA-N -1 3 398.472 3.044 20 0 GGADHM CCN(Cc1ccccn1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000530987770 567636117 /nfs/dbraw/zinc/63/61/17/567636117.db2.gz COGDIACXUIURKC-UHFFFAOYSA-N -1 3 386.249 3.348 20 0 GGADHM Cc1ccc(NCc2cccc([O-])c2Br)cc1S(=O)(=O)N(C)C ZINC000459544832 567636274 /nfs/dbraw/zinc/63/62/74/567636274.db2.gz OSUBVPCQNHBUQV-UHFFFAOYSA-N -1 3 399.310 3.326 20 0 GGADHM CCOc1cc(CNc2ccc(C)c(S(=O)(=O)NC)c2)cc(Cl)c1[O-] ZINC000459544666 567636472 /nfs/dbraw/zinc/63/64/72/567636472.db2.gz NQZYUTHAJQLPBD-UHFFFAOYSA-N -1 3 384.885 3.273 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000506660843 567637186 /nfs/dbraw/zinc/63/71/86/567637186.db2.gz LIMMGWPSSKCGHQ-UHFFFAOYSA-N -1 3 381.410 3.237 20 0 GGADHM O=C(Cc1cc(F)cc2c1OCOC2)Nc1cc(Br)ccc1[O-] ZINC000531015099 567637138 /nfs/dbraw/zinc/63/71/38/567637138.db2.gz BNLHALVDCCPVQK-UHFFFAOYSA-N -1 3 382.185 3.342 20 0 GGADHM Cc1c(NCc2cccc([O-])c2Br)cccc1S(=O)(=O)N(C)C ZINC000459562821 567637541 /nfs/dbraw/zinc/63/75/41/567637541.db2.gz PSXIZGIECMQCDF-UHFFFAOYSA-N -1 3 399.310 3.326 20 0 GGADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000553238752 567638186 /nfs/dbraw/zinc/63/81/86/567638186.db2.gz IKOYSHYHPBEYES-CABZTGNLSA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c(Br)c1 ZINC000480870323 567638032 /nfs/dbraw/zinc/63/80/32/567638032.db2.gz GVCWQKPNLYUVHZ-SSDOTTSWSA-N -1 3 376.194 3.077 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3cnccn3)nc(=O)c2c1C ZINC000531066479 567639127 /nfs/dbraw/zinc/63/91/27/567639127.db2.gz OCQPXQXBCCSYMI-VIFPVBQESA-N -1 3 376.463 3.113 20 0 GGADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000572445027 567639519 /nfs/dbraw/zinc/63/95/19/567639519.db2.gz PSRSWYGLPSMVJT-UHFFFAOYSA-N -1 3 392.706 3.358 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000572457465 567640746 /nfs/dbraw/zinc/64/07/46/567640746.db2.gz LEIZRLNJRSUZMD-UHFFFAOYSA-N -1 3 381.881 3.333 20 0 GGADHM CCC(O)(CC)C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645557310 567640884 /nfs/dbraw/zinc/64/08/84/567640884.db2.gz XBIIPWOOFPVUGM-UHFFFAOYSA-N -1 3 384.723 3.073 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000645561472 567640924 /nfs/dbraw/zinc/64/09/24/567640924.db2.gz RAPIHKVZGUWVLH-BIMULSAOSA-N -1 3 399.818 3.330 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645561501 567641412 /nfs/dbraw/zinc/64/14/12/567641412.db2.gz SLTLTUAOTDWLAG-KOLCDFICSA-N -1 3 387.807 3.068 20 0 GGADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645563994 567641441 /nfs/dbraw/zinc/64/14/41/567641441.db2.gz SMKLGNSBVQXXNA-UHFFFAOYSA-N -1 3 389.823 3.316 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645561500 567641495 /nfs/dbraw/zinc/64/14/95/567641495.db2.gz SLTLTUAOTDWLAG-GXSJLCMTSA-N -1 3 387.807 3.068 20 0 GGADHM O=C(CNC(=O)c1cc([O-])ccc1Cl)Nc1ccc(Br)cc1 ZINC000572471142 567642268 /nfs/dbraw/zinc/64/22/68/567642268.db2.gz GWQDPEUYXLSPPA-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@H](c1ccccc1)N(C)C ZINC000480926849 567642327 /nfs/dbraw/zinc/64/23/27/567642327.db2.gz JMGYUOOBSDABEE-IAQYHMDHSA-N -1 3 387.299 3.012 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3Cc4ccccc4O3)s2)cs1 ZINC000480923218 567642683 /nfs/dbraw/zinc/64/26/83/567642683.db2.gz CVDNIVZSTDURGN-ZDUSSCGKSA-N -1 3 392.527 3.462 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(N(C)C)nc3)s2)cs1 ZINC000480924526 567643101 /nfs/dbraw/zinc/64/31/01/567643101.db2.gz CWIMWFZEFZDUDA-UHFFFAOYSA-N -1 3 394.547 3.120 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)Nc3ccccc3)C2)sc1Cl ZINC000572499399 567643629 /nfs/dbraw/zinc/64/36/29/567643629.db2.gz BPIVZWOPCRDFSY-CYBMUJFWSA-N -1 3 399.925 3.295 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000531190459 567644937 /nfs/dbraw/zinc/64/49/37/567644937.db2.gz KBTVUJJLNMJCBL-UHFFFAOYSA-N -1 3 399.925 3.203 20 0 GGADHM O=C(CC[C@H]1CCOC1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000531193902 567644950 /nfs/dbraw/zinc/64/49/50/567644950.db2.gz KXSQEQHBEXUHGT-JTQLQIEISA-N -1 3 382.233 3.155 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(NC(N)=O)c2)c1Cl ZINC000531177820 567645044 /nfs/dbraw/zinc/64/50/44/567645044.db2.gz OTKIEDNNVXCILJ-UHFFFAOYSA-N -1 3 388.276 3.271 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645603344 567645085 /nfs/dbraw/zinc/64/50/85/567645085.db2.gz XLLMFBVMWNZGNC-ZJUUUORDSA-N -1 3 387.807 3.332 20 0 GGADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645603342 567645134 /nfs/dbraw/zinc/64/51/34/567645134.db2.gz XLLMFBVMWNZGNC-UWVGGRQHSA-N -1 3 387.807 3.332 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)CCCO1 ZINC000645595483 567645649 /nfs/dbraw/zinc/64/56/49/567645649.db2.gz PZOBIPVFXNHHDS-ZDUSSCGKSA-N -1 3 382.707 3.091 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]Cc1csc(CCc2ccccc2)n1)C(C)C ZINC000645594910 567645692 /nfs/dbraw/zinc/64/56/92/567645692.db2.gz ZHAIUMXDEYLPAJ-QGZVFWFLSA-N -1 3 382.551 3.019 20 0 GGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ncccc1Br ZINC000506830353 567646190 /nfs/dbraw/zinc/64/61/90/567646190.db2.gz LXVDTUYNYSUCKE-UHFFFAOYSA-N -1 3 375.675 3.482 20 0 GGADHM O=S(=O)([N-]c1cccc(N2CCN(CC3CC3)CC2)c1)c1ccsc1 ZINC000506830132 567646234 /nfs/dbraw/zinc/64/62/34/567646234.db2.gz JRCJGVOBZYWCHZ-UHFFFAOYSA-N -1 3 377.535 3.081 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)sc1Br ZINC000531195077 567646527 /nfs/dbraw/zinc/64/65/27/567646527.db2.gz NTVYWERRFXTDPJ-MVWJERBFSA-N -1 3 394.356 3.301 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1OC(F)(F)F ZINC000645610137 567646534 /nfs/dbraw/zinc/64/65/34/567646534.db2.gz PZOPBMRJNVFSFH-SNVBAGLBSA-N -1 3 395.790 3.318 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)ccc1OC(F)(F)F ZINC000645606338 567647498 /nfs/dbraw/zinc/64/74/98/567647498.db2.gz RFDPNSKTORPUKY-QJPTWQEYSA-N -1 3 399.818 3.475 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(C(F)(F)F)cn1 ZINC000480976118 567647916 /nfs/dbraw/zinc/64/79/16/567647916.db2.gz DPDWHFRYCVVUIC-CABZTGNLSA-N -1 3 378.322 3.213 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1c(Cl)ccc2ccccc21 ZINC000531241509 567648002 /nfs/dbraw/zinc/64/80/02/567648002.db2.gz OEXANBZTDDOIEB-GFCCVEGCSA-N -1 3 392.830 3.408 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(OC)CCC(C)CC1 ZINC000480974750 567647999 /nfs/dbraw/zinc/64/79/99/567647999.db2.gz BFKHXRQRHLGEFY-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645629686 567648514 /nfs/dbraw/zinc/64/85/14/567648514.db2.gz HUUDRMHGVFJNSF-UHFFFAOYSA-N -1 3 394.802 3.463 20 0 GGADHM COCC1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000666003605 567648663 /nfs/dbraw/zinc/64/86/63/567648663.db2.gz TXBMTMSTJDQWRQ-UHFFFAOYSA-N -1 3 393.281 3.226 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1ccc(C(F)(F)F)cn1 ZINC000480991349 567649001 /nfs/dbraw/zinc/64/90/01/567649001.db2.gz MKSPWGOUIBKBDG-UHFFFAOYSA-N -1 3 382.310 3.180 20 0 GGADHM O=C(NCCc1cc(Br)ccc1F)c1c[n-]nc1-c1ccccn1 ZINC000572566710 567649603 /nfs/dbraw/zinc/64/96/03/567649603.db2.gz ZQDKACIKPIFYCQ-UHFFFAOYSA-N -1 3 389.228 3.346 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1C1CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645634624 567650187 /nfs/dbraw/zinc/65/01/87/567650187.db2.gz TYTRWGKOBPUPSN-ZWNOBZJWSA-N -1 3 385.791 3.084 20 0 GGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000645637474 567650208 /nfs/dbraw/zinc/65/02/08/567650208.db2.gz RISFSUVIURWBSD-VHSXEESVSA-N -1 3 387.807 3.332 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000480993015 567650492 /nfs/dbraw/zinc/65/04/92/567650492.db2.gz PUDMQAYJLUMKFO-UHFFFAOYSA-N -1 3 388.536 3.190 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1F ZINC000481004320 567650502 /nfs/dbraw/zinc/65/05/02/567650502.db2.gz LUUPQLABTMKELP-VIFPVBQESA-N -1 3 380.338 3.461 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1F ZINC000481004317 567650731 /nfs/dbraw/zinc/65/07/31/567650731.db2.gz LUUPQLABTMKELP-SECBINFHSA-N -1 3 380.338 3.461 20 0 GGADHM CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCOCC1 ZINC000531301643 567651385 /nfs/dbraw/zinc/65/13/85/567651385.db2.gz PYLFBPQDKAQPLV-AWEZNQCLSA-N -1 3 393.281 3.226 20 0 GGADHM COc1cccc2c1C[C@@H](NCc1ccc(OC)c([O-])c1Br)C2 ZINC000459698765 567651500 /nfs/dbraw/zinc/65/15/00/567651500.db2.gz LHJCASDUSUZGBX-ZDUSSCGKSA-N -1 3 378.266 3.429 20 0 GGADHM CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCOCC1 ZINC000531301644 567652242 /nfs/dbraw/zinc/65/22/42/567652242.db2.gz PYLFBPQDKAQPLV-CQSZACIVSA-N -1 3 393.281 3.226 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000645658967 567652572 /nfs/dbraw/zinc/65/25/72/567652572.db2.gz UDZLHHJKJSMMQF-ZDUSSCGKSA-N -1 3 377.359 3.459 20 0 GGADHM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000531326747 567653039 /nfs/dbraw/zinc/65/30/39/567653039.db2.gz MPOLNAIEUIBIAZ-ZDUSSCGKSA-N -1 3 386.290 3.216 20 0 GGADHM CCc1ccc([C@@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C(C)C)cc1 ZINC000553435222 567653762 /nfs/dbraw/zinc/65/37/62/567653762.db2.gz MVBLRTBSLDWGQR-INIZCTEOSA-N -1 3 381.523 3.340 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)c1 ZINC000531332894 567653828 /nfs/dbraw/zinc/65/38/28/567653828.db2.gz IQFHXCNGKQFZCT-JTQLQIEISA-N -1 3 390.324 3.429 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1OC(F)(F)F ZINC000645660382 567653989 /nfs/dbraw/zinc/65/39/89/567653989.db2.gz QSAMWRLBXYHJNS-GXSJLCMTSA-N -1 3 387.807 3.068 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1cc(Br)ccc1Cl ZINC000481058106 567654455 /nfs/dbraw/zinc/65/44/55/567654455.db2.gz KXSMUUYSTCHALA-LLVKDONJSA-N -1 3 390.690 3.182 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2sccc2Br)c(F)c1 ZINC000481066495 567655525 /nfs/dbraw/zinc/65/55/25/567655525.db2.gz BUTJZCRPCNPELN-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM O=C1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CN1C1CCCCC1 ZINC000481070533 567656157 /nfs/dbraw/zinc/65/61/57/567656157.db2.gz LDQQUDAAMCRTAY-LLVKDONJSA-N -1 3 391.320 3.205 20 0 GGADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000531380555 567656576 /nfs/dbraw/zinc/65/65/76/567656576.db2.gz KOURKQCAEOGHFV-RYUDHWBXSA-N -1 3 375.512 3.181 20 0 GGADHM CCCC[C@H](CCC)CNC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000441233370 567657368 /nfs/dbraw/zinc/65/73/68/567657368.db2.gz OQPVZAHCUNIFMO-ZDUSSCGKSA-N -1 3 375.560 3.062 20 0 GGADHM CC[C@H](C)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553484973 567657911 /nfs/dbraw/zinc/65/79/11/567657911.db2.gz PRVFUHMJCPNBFQ-QWRGUYRKSA-N -1 3 396.340 3.006 20 0 GGADHM CCCC[C@@H](CCC)CNC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000441233369 567658054 /nfs/dbraw/zinc/65/80/54/567658054.db2.gz OQPVZAHCUNIFMO-CYBMUJFWSA-N -1 3 375.560 3.062 20 0 GGADHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645711704 567658283 /nfs/dbraw/zinc/65/82/83/567658283.db2.gz WWEZUCQUOXBYRP-IONNQARKSA-N -1 3 375.821 3.268 20 0 GGADHM O=S(=O)([N-]CC1(O)CCCCCC1)c1c(F)cccc1OC(F)(F)F ZINC000553493650 567659421 /nfs/dbraw/zinc/65/94/21/567659421.db2.gz PXTUIJFUMSGECD-UHFFFAOYSA-N -1 3 385.379 3.088 20 0 GGADHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645744811 567662402 /nfs/dbraw/zinc/66/24/02/567662402.db2.gz ZQUMMOTZULSHPQ-QMMMGPOBSA-N -1 3 375.796 3.066 20 0 GGADHM CCC(CC)[C@H](C(=O)Nc1cc(Br)ccc1[O-])N1CCOCC1 ZINC000531492676 567662346 /nfs/dbraw/zinc/66/23/46/567662346.db2.gz LXOIGPZNNBEALC-MRXNPFEDSA-N -1 3 385.302 3.230 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Br)cn1 ZINC000481206176 567662417 /nfs/dbraw/zinc/66/24/17/567662417.db2.gz JKBDGDVDMUDOKM-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000645747381 567662576 /nfs/dbraw/zinc/66/25/76/567662576.db2.gz AMWKGCJGDRLJLH-NSHDSACASA-N -1 3 375.343 3.217 20 0 GGADHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645749359 567663228 /nfs/dbraw/zinc/66/32/28/567663228.db2.gz TVPHAGNBONYSQZ-UHFFFAOYSA-N -1 3 389.823 3.314 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481220762 567663387 /nfs/dbraw/zinc/66/33/87/567663387.db2.gz LNFYUZXDEXUTNM-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM COc1cc(OC)c(C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000531492808 567663606 /nfs/dbraw/zinc/66/36/06/567663606.db2.gz RXLJNFMIXUZDCD-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)C2)c(OC)cc1Br ZINC000481219079 567663666 /nfs/dbraw/zinc/66/36/66/567663666.db2.gz NLUABQNUTBVYSG-GHMZBOCLSA-N -1 3 392.315 3.181 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000481237683 567664041 /nfs/dbraw/zinc/66/40/41/567664041.db2.gz CEJQCFIYQCOEPC-INIZCTEOSA-N -1 3 387.929 3.348 20 0 GGADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000481241635 567664575 /nfs/dbraw/zinc/66/45/75/567664575.db2.gz LHOOPZJPTNXTHF-KFWWJZLASA-N -1 3 387.929 3.470 20 0 GGADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CC1 ZINC000645751168 567664788 /nfs/dbraw/zinc/66/47/88/567664788.db2.gz UWRJSBIIDOAQQP-ISVAXAHUSA-N -1 3 387.807 3.330 20 0 GGADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000481233456 567664921 /nfs/dbraw/zinc/66/49/21/567664921.db2.gz LENYBJAJCLJEAF-ZIAGYGMSSA-N -1 3 386.583 3.167 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H](C)O1 ZINC000645760989 567665017 /nfs/dbraw/zinc/66/50/17/567665017.db2.gz SDSKXVVCOSOZTN-BBBLOLIVSA-N -1 3 387.807 3.330 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000481248722 567665383 /nfs/dbraw/zinc/66/53/83/567665383.db2.gz YSVXRNJSVUCAOT-TZMCWYRMSA-N -1 3 383.466 3.288 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000666329446 567666211 /nfs/dbraw/zinc/66/62/11/567666211.db2.gz NHGUVHBNUJRTLQ-OCCSQVGLSA-N -1 3 381.270 3.274 20 0 GGADHM CSc1ncc(Cl)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)n1 ZINC000531567177 567666246 /nfs/dbraw/zinc/66/62/46/567666246.db2.gz OCLUKQPZRZIVRU-UHFFFAOYSA-N -1 3 381.795 3.194 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1 ZINC000481260635 567666723 /nfs/dbraw/zinc/66/67/23/567666723.db2.gz OIJKAFOIKICSAQ-LSDHHAIUSA-N -1 3 375.343 3.401 20 0 GGADHM O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1cc([O-])ccc1Cl ZINC000507207113 567666822 /nfs/dbraw/zinc/66/68/22/567666822.db2.gz CWMDVRAAZMRGBC-OAHLLOKOSA-N -1 3 376.909 3.393 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 ZINC000481259351 567667110 /nfs/dbraw/zinc/66/71/10/567667110.db2.gz ZTRVIBOFKAZFMV-SWLSCSKDSA-N -1 3 375.343 3.401 20 0 GGADHM O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1cc([O-])ccc1Cl ZINC000507207112 567667215 /nfs/dbraw/zinc/66/72/15/567667215.db2.gz CWMDVRAAZMRGBC-HNNXBMFYSA-N -1 3 376.909 3.393 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000481259512 567667387 /nfs/dbraw/zinc/66/73/87/567667387.db2.gz NNIMJVWYJTUKLG-JSGCOSHPSA-N -1 3 383.466 3.288 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Br)cn1 ZINC000481268559 567667971 /nfs/dbraw/zinc/66/79/71/567667971.db2.gz MVNSUOCFYBXJEZ-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Br)cn1 ZINC000481268558 567668152 /nfs/dbraw/zinc/66/81/52/567668152.db2.gz MVNSUOCFYBXJEZ-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)s1 ZINC000645792391 567669086 /nfs/dbraw/zinc/66/90/86/567669086.db2.gz SVPZGNAWQOEXSQ-UHFFFAOYSA-N -1 3 384.910 3.005 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3C)CC2)s1 ZINC000645793459 567669248 /nfs/dbraw/zinc/66/92/48/567669248.db2.gz MUZSZVKPKXHGAR-ZDUSSCGKSA-N -1 3 378.519 3.221 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000441553154 567669775 /nfs/dbraw/zinc/66/97/75/567669775.db2.gz RYJOLEOOXJFDLZ-UHFFFAOYSA-N -1 3 376.865 3.418 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2NC2CC2)[n-]1 ZINC000572860237 567671424 /nfs/dbraw/zinc/67/14/24/567671424.db2.gz QWZJAQZAGCUEDN-UHFFFAOYSA-N -1 3 378.226 3.390 20 0 GGADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCC(C)(C)C)cc1F ZINC000645820992 567671572 /nfs/dbraw/zinc/67/15/72/567671572.db2.gz HMAFLMVBSFDWSD-UHFFFAOYSA-N -1 3 394.534 3.033 20 0 GGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)CO2 ZINC000531657210 567671859 /nfs/dbraw/zinc/67/18/59/567671859.db2.gz ROKIDZKFBJHNRV-AWEZNQCLSA-N -1 3 386.242 3.309 20 0 GGADHM CCC[C@H](C)S(=O)(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000572887138 567673004 /nfs/dbraw/zinc/67/30/04/567673004.db2.gz JZSHJSZFQBHZDJ-JTQLQIEISA-N -1 3 388.287 3.107 20 0 GGADHM CSc1nnc(NC(=O)c2ccc(Br)cc2Br)[n-]1 ZINC000507282328 567673231 /nfs/dbraw/zinc/67/32/31/567673231.db2.gz JJWUNDUBAGURGU-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM CSc1n[n-]c(NC(=O)c2ccc(Br)cc2Br)n1 ZINC000507282328 567673233 /nfs/dbraw/zinc/67/32/33/567673233.db2.gz JJWUNDUBAGURGU-UHFFFAOYSA-N -1 3 392.076 3.304 20 0 GGADHM Cc1ncsc1[N-]C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000572895367 567673456 /nfs/dbraw/zinc/67/34/56/567673456.db2.gz UXIBFUADAVCLCW-UHFFFAOYSA-N -1 3 399.544 3.305 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000507294444 567673596 /nfs/dbraw/zinc/67/35/96/567673596.db2.gz GSGXMLMLZBIAJV-SECBINFHSA-N -1 3 381.841 3.050 20 0 GGADHM CC(C)n1cc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000531702867 567674049 /nfs/dbraw/zinc/67/40/49/567674049.db2.gz XRGHZLSWUNVDIQ-NSHDSACASA-N -1 3 381.274 3.493 20 0 GGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000481367908 567675229 /nfs/dbraw/zinc/67/52/29/567675229.db2.gz CUQLQLARNUNTSP-STQMWFEESA-N -1 3 377.915 3.079 20 0 GGADHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000507326884 567675161 /nfs/dbraw/zinc/67/51/61/567675161.db2.gz ADSXQMBXRWGEDN-LLVKDONJSA-N -1 3 395.388 3.299 20 0 GGADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000481367906 567675572 /nfs/dbraw/zinc/67/55/72/567675572.db2.gz CUQLQLARNUNTSP-OLZOCXBDSA-N -1 3 377.915 3.079 20 0 GGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000481442587 567677448 /nfs/dbraw/zinc/67/74/48/567677448.db2.gz IWPMCRFHJILIHI-MEDUHNTESA-N -1 3 385.844 3.308 20 0 GGADHM O=C(Nc1nc(CN2CCCCCC2)cs1)c1csc(=NC2CC2)[n-]1 ZINC000531765689 567677525 /nfs/dbraw/zinc/67/75/25/567677525.db2.gz RXDIVNZSJFLQKE-UHFFFAOYSA-N -1 3 377.539 3.224 20 0 GGADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000481451002 567678537 /nfs/dbraw/zinc/67/85/37/567678537.db2.gz JXHVSDKDBGPWDT-ZBEGNZNMSA-N -1 3 385.844 3.308 20 0 GGADHM O=S(=O)([N-]CCc1cccc(OCC(F)(F)F)c1)c1ccccc1F ZINC000481463462 567679401 /nfs/dbraw/zinc/67/94/01/567679401.db2.gz HFNDLSWBBXIMNW-UHFFFAOYSA-N -1 3 377.359 3.288 20 0 GGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000481455333 567679553 /nfs/dbraw/zinc/67/95/53/567679553.db2.gz SRTVZIYDXXNXDK-MEDUHNTESA-N -1 3 385.844 3.308 20 0 GGADHM CC(C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)OCO2 ZINC000481452355 567679848 /nfs/dbraw/zinc/67/98/48/567679848.db2.gz KGUPEDOWJFAIHA-UHFFFAOYSA-N -1 3 392.249 3.477 20 0 GGADHM CN(C)C(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000481481045 567680531 /nfs/dbraw/zinc/68/05/31/567680531.db2.gz UJTQCSQGHHIQKA-UHFFFAOYSA-N -1 3 392.253 3.178 20 0 GGADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000481474408 567681070 /nfs/dbraw/zinc/68/10/70/567681070.db2.gz JWSXGZFSHXZLJV-NSHDSACASA-N -1 3 382.295 3.054 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481490638 567682090 /nfs/dbraw/zinc/68/20/90/567682090.db2.gz IQOGFABPXBPKKH-CYBMUJFWSA-N -1 3 378.252 3.453 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 ZINC000481490547 567682432 /nfs/dbraw/zinc/68/24/32/567682432.db2.gz JRMGFXIGIINORI-CYBMUJFWSA-N -1 3 382.215 3.284 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000442135884 567682939 /nfs/dbraw/zinc/68/29/39/567682939.db2.gz YOQMTOCVBBVOGE-VIFPVBQESA-N -1 3 380.869 3.309 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)c1ccc(F)cc1F ZINC000481497615 567683104 /nfs/dbraw/zinc/68/31/04/567683104.db2.gz ISTQEPYTZNNTPP-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000507515772 567683810 /nfs/dbraw/zinc/68/38/10/567683810.db2.gz GRSQPISNSWGPCK-UHFFFAOYSA-N -1 3 379.400 3.001 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481502627 567683920 /nfs/dbraw/zinc/68/39/20/567683920.db2.gz PXFXWYQWVHOFBH-SNVBAGLBSA-N -1 3 382.290 3.075 20 0 GGADHM Cc1cc(Br)c(F)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481524394 567684348 /nfs/dbraw/zinc/68/43/48/567684348.db2.gz XOYXCEWTXLZSLL-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(Br)c(F)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481524394 567684353 /nfs/dbraw/zinc/68/43/53/567684353.db2.gz XOYXCEWTXLZSLL-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM Cc1cc(Br)c(F)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481524394 567684355 /nfs/dbraw/zinc/68/43/55/567684355.db2.gz XOYXCEWTXLZSLL-UHFFFAOYSA-N -1 3 396.142 3.355 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000481512877 567685393 /nfs/dbraw/zinc/68/53/93/567685393.db2.gz XHYSSUYQXYLGMW-LLVKDONJSA-N -1 3 385.816 3.432 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000507532400 567685450 /nfs/dbraw/zinc/68/54/50/567685450.db2.gz NPOCJQQJXFORKB-UHFFFAOYSA-N -1 3 379.136 3.155 20 0 GGADHM COc1cc(C)c(Br)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000507532400 567685456 /nfs/dbraw/zinc/68/54/56/567685456.db2.gz NPOCJQQJXFORKB-UHFFFAOYSA-N -1 3 379.136 3.155 20 0 GGADHM CCc1cc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)ccc1[O-] ZINC000553801120 567686109 /nfs/dbraw/zinc/68/61/09/567686109.db2.gz DLYHHRQTENVTMU-HNNXBMFYSA-N -1 3 382.229 3.320 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc21 ZINC000442237063 567687271 /nfs/dbraw/zinc/68/72/71/567687271.db2.gz NNCHLCIKTZGMGT-UHFFFAOYSA-N -1 3 386.807 3.328 20 0 GGADHM COC(=O)c1nc[n-]c1NC(=O)CCCCOc1ccc(Br)cc1 ZINC000573101146 567687516 /nfs/dbraw/zinc/68/75/16/567687516.db2.gz IMJWGBKNKJMGEA-UHFFFAOYSA-N -1 3 396.241 3.147 20 0 GGADHM COC(=O)c1[n-]cnc1NC(=O)CCCCOc1ccc(Br)cc1 ZINC000573101146 567687520 /nfs/dbraw/zinc/68/75/20/567687520.db2.gz IMJWGBKNKJMGEA-UHFFFAOYSA-N -1 3 396.241 3.147 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cc1OC ZINC000507581394 567687738 /nfs/dbraw/zinc/68/77/38/567687738.db2.gz JFDJEUBHRRGKKK-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481567012 567687910 /nfs/dbraw/zinc/68/79/10/567687910.db2.gz CBFRTWZUOQENKU-RYUDHWBXSA-N -1 3 383.466 3.288 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481567007 567688084 /nfs/dbraw/zinc/68/80/84/567688084.db2.gz CBFRTWZUOQENKU-NWDGAFQWSA-N -1 3 383.466 3.288 20 0 GGADHM C[C@@H](NC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1=CCN(C)CC1 ZINC000481561100 567688406 /nfs/dbraw/zinc/68/84/06/567688406.db2.gz XBKDGUXYCKWGAO-LLVKDONJSA-N -1 3 377.901 3.052 20 0 GGADHM COc1ccccc1S(=O)(=O)[N-]c1ccc2nccnc2c1Br ZINC000507584024 567688838 /nfs/dbraw/zinc/68/88/38/567688838.db2.gz QNATXVKFMZZVGR-UHFFFAOYSA-N -1 3 394.250 3.202 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c(Cl)cc1F ZINC000507598729 567688884 /nfs/dbraw/zinc/68/88/84/567688884.db2.gz WAAVPUIPMWNXDJ-UHFFFAOYSA-N -1 3 391.873 3.300 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1Cl ZINC000460453028 567689400 /nfs/dbraw/zinc/68/94/00/567689400.db2.gz SETIRGGYLXOEBH-UHFFFAOYSA-N -1 3 386.832 3.258 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(N2CCOCC2)cc1F)c1ccccc1Cl ZINC000507600212 567689582 /nfs/dbraw/zinc/68/95/82/567689582.db2.gz LQDHRFHSWMEGPS-UHFFFAOYSA-N -1 3 388.823 3.256 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)Cc3ccncc3)s2)cs1 ZINC000531956659 567690270 /nfs/dbraw/zinc/69/02/70/567690270.db2.gz NCGLFCGETHUFLV-LLVKDONJSA-N -1 3 379.532 3.485 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1)c1c(F)cccc1OC(F)(F)F ZINC000553849087 567690502 /nfs/dbraw/zinc/69/05/02/567690502.db2.gz ADSNLTJREPRZFN-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(=O)n(C)c1 ZINC000481589288 567690552 /nfs/dbraw/zinc/69/05/52/567690552.db2.gz ZPQUAAKFLHPBSZ-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM O=c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c[nH]1 ZINC000573146447 567690817 /nfs/dbraw/zinc/69/08/17/567690817.db2.gz FDRLJGAJGCSYPA-UHFFFAOYSA-N -1 3 397.172 3.369 20 0 GGADHM CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(OC)c([O-])c1Br ZINC000597243856 567690818 /nfs/dbraw/zinc/69/08/18/567690818.db2.gz ZCIGQWXFVFBJAK-GUYCJALGSA-N -1 3 386.286 3.375 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c(Cl)cc1F ZINC000507612691 567690780 /nfs/dbraw/zinc/69/07/80/567690780.db2.gz HGPVTOFWEUAMKG-UHFFFAOYSA-N -1 3 395.836 3.131 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Br)c1ccco1 ZINC000553860462 567692280 /nfs/dbraw/zinc/69/22/80/567692280.db2.gz GIWGYUOVAARULT-CQSZACIVSA-N -1 3 388.283 3.239 20 0 GGADHM CC(C)CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC1 ZINC000442413697 567692388 /nfs/dbraw/zinc/69/23/88/567692388.db2.gz CKWGVFYEAGAWMV-UHFFFAOYSA-N -1 3 378.416 3.292 20 0 GGADHM O=S(=O)([N-]c1ccc(OCCCO)cc1)c1ccc(Br)cc1 ZINC000507644071 567692730 /nfs/dbraw/zinc/69/27/30/567692730.db2.gz KCFGWFAARCIBIW-UHFFFAOYSA-N -1 3 386.267 3.011 20 0 GGADHM COc1cccc(CCC(=O)NCc2ccc([O-])c(Br)c2)c1OC ZINC000532019576 567693672 /nfs/dbraw/zinc/69/36/72/567693672.db2.gz NIGLDJDXMJZBNS-UHFFFAOYSA-N -1 3 394.265 3.421 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nccn1-c1ccccc1 ZINC000460588611 567694167 /nfs/dbraw/zinc/69/41/67/567694167.db2.gz WNGAMVBMFCQHLR-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)cc1OC ZINC000553884385 567695028 /nfs/dbraw/zinc/69/50/28/567695028.db2.gz WSAILUQWVAQSPC-UHFFFAOYSA-N -1 3 377.796 3.114 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1Br ZINC000553905768 567697259 /nfs/dbraw/zinc/69/72/59/567697259.db2.gz OCBCFMZMXRXVBO-VFZGTOFNSA-N -1 3 386.242 3.389 20 0 GGADHM O=C(CNC(=O)c1ccc([O-])cc1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000532102875 567697165 /nfs/dbraw/zinc/69/71/65/567697165.db2.gz DDNHFDOXSAUQNX-UHFFFAOYSA-N -1 3 379.243 3.234 20 0 GGADHM O=S(=O)([N-]CCNc1ccccn1)c1cc(C(F)(F)F)ccc1Cl ZINC000532087981 567697582 /nfs/dbraw/zinc/69/75/82/567697582.db2.gz BKNGSZMJMKMPTJ-UHFFFAOYSA-N -1 3 379.791 3.144 20 0 GGADHM Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(Br)c2[O-])o1 ZINC000532103246 567697792 /nfs/dbraw/zinc/69/77/92/567697792.db2.gz RCUUZALUBAKVRD-UHFFFAOYSA-N -1 3 381.270 3.260 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000553905465 567697881 /nfs/dbraw/zinc/69/78/81/567697881.db2.gz PPZRWNJKESIRGT-CHWSQXEVSA-N -1 3 393.958 3.175 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CCSc3ccccc32)ccc1F ZINC000460681714 567698591 /nfs/dbraw/zinc/69/85/91/567698591.db2.gz XVOBIETXFJODDY-ZDUSSCGKSA-N -1 3 380.466 3.415 20 0 GGADHM O=C([N-]c1nnc(C2CC2)s1)c1cc(Br)cc2c1OCCO2 ZINC000666726908 567699442 /nfs/dbraw/zinc/69/94/42/567699442.db2.gz OQNKKOYISZGPJZ-UHFFFAOYSA-N -1 3 382.239 3.202 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccc3occc3c2)CC1)c1cccs1 ZINC000573248548 567699528 /nfs/dbraw/zinc/69/95/28/567699528.db2.gz XLWIBQIJERZANU-UHFFFAOYSA-N -1 3 376.503 3.437 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC(C)C)ccc2Cl)cn1 ZINC000442630904 567699821 /nfs/dbraw/zinc/69/98/21/567699821.db2.gz XGDPYNVIBYMILR-UHFFFAOYSA-N -1 3 384.841 3.110 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCc1c(F)ccc(Br)c1F ZINC000507717549 567701234 /nfs/dbraw/zinc/70/12/34/567701234.db2.gz ZSTBCCMOGJCIDQ-UHFFFAOYSA-N -1 3 394.241 3.353 20 0 GGADHM CC(C)(CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000646245103 567701665 /nfs/dbraw/zinc/70/16/65/567701665.db2.gz AINQVMFRQVBUBZ-UHFFFAOYSA-N -1 3 393.336 3.214 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000442734076 567702972 /nfs/dbraw/zinc/70/29/72/567702972.db2.gz DYCNOPZKAFYIES-GHMZBOCLSA-N -1 3 399.456 3.490 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1C ZINC000442746519 567703822 /nfs/dbraw/zinc/70/38/22/567703822.db2.gz SFMJJFYIATZTLZ-ABAIWWIYSA-N -1 3 379.503 3.445 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)C(C)(C)c1ccccc1 ZINC000442745242 567703959 /nfs/dbraw/zinc/70/39/59/567703959.db2.gz OOQQGTCWVJDFOP-CYBMUJFWSA-N -1 3 381.519 3.488 20 0 GGADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1c(F)cncc1F ZINC000554000731 567704349 /nfs/dbraw/zinc/70/43/49/567704349.db2.gz KAYOVGWTFKZNGZ-QMMMGPOBSA-N -1 3 386.196 3.388 20 0 GGADHM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(C)C ZINC000442746815 567705134 /nfs/dbraw/zinc/70/51/34/567705134.db2.gz HVPJXJURACLQHH-OLZOCXBDSA-N -1 3 389.539 3.105 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1 ZINC000442755271 567705442 /nfs/dbraw/zinc/70/54/42/567705442.db2.gz XNNIZXRIODPXMU-GJZGRUSLSA-N -1 3 379.503 3.458 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000442751668 567705532 /nfs/dbraw/zinc/70/55/32/567705532.db2.gz IDMFXRDISTZAFS-CYBMUJFWSA-N -1 3 381.475 3.035 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000442751670 567705806 /nfs/dbraw/zinc/70/58/06/567705806.db2.gz IDMFXRDISTZAFS-ZDUSSCGKSA-N -1 3 381.475 3.035 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1C ZINC000442758222 567706854 /nfs/dbraw/zinc/70/68/54/567706854.db2.gz OMNGYPUKNJJWAY-UHFFFAOYSA-N -1 3 381.519 3.451 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(C)cc1 ZINC000442770541 567707790 /nfs/dbraw/zinc/70/77/90/567707790.db2.gz XVUVBKCYSARXFZ-UHFFFAOYSA-N -1 3 381.519 3.408 20 0 GGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c1 ZINC000646339811 567708461 /nfs/dbraw/zinc/70/84/61/567708461.db2.gz FKGOZSXRHXRROO-ZDUSSCGKSA-N -1 3 377.238 3.152 20 0 GGADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)CCO1 ZINC000442771499 567708506 /nfs/dbraw/zinc/70/85/06/567708506.db2.gz SECWNCNWQRNXKE-ZIAGYGMSSA-N -1 3 389.539 3.105 20 0 GGADHM Cc1ccc(N=c2[n-]nc(SC[C@H](O)CN(C)C3CC3)s2)cc1Cl ZINC000573378178 567708596 /nfs/dbraw/zinc/70/85/96/567708596.db2.gz WNHOOWSZCUTDFR-CYBMUJFWSA-N -1 3 384.958 3.213 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ncc(-c2cccc(C)c2)s1 ZINC000554109748 567709420 /nfs/dbraw/zinc/70/94/20/567709420.db2.gz HFGBZCABQBOPHZ-DOMZBBRYSA-N -1 3 381.523 3.021 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000460904391 567709465 /nfs/dbraw/zinc/70/94/65/567709465.db2.gz RLCPGYCJPMSFGI-SNVBAGLBSA-N -1 3 389.905 3.055 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000460920787 567710461 /nfs/dbraw/zinc/71/04/61/567710461.db2.gz FWDJANMCBOJNQK-DOMZBBRYSA-N -1 3 390.889 3.307 20 0 GGADHM Cc1cccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c1[O-] ZINC000646344291 567710729 /nfs/dbraw/zinc/71/07/29/567710729.db2.gz YMAJITSSNZRECX-ZDUSSCGKSA-N -1 3 377.238 3.152 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(SCCOC)cc2)s1 ZINC000460939043 567711008 /nfs/dbraw/zinc/71/10/08/567711008.db2.gz MJIBYSSDOSICIU-LBPRGKRZSA-N -1 3 386.564 3.484 20 0 GGADHM O=S(=O)([N-][C@H](CCO)C1CCOCC1)c1cc2cc(Cl)ccc2s1 ZINC000460922858 567711186 /nfs/dbraw/zinc/71/11/86/567711186.db2.gz KJGYHPJREOQNEA-CQSZACIVSA-N -1 3 389.926 3.011 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)c(F)cc1F ZINC000573408148 567711469 /nfs/dbraw/zinc/71/14/69/567711469.db2.gz PTKKLWWWCQJREZ-OAHLLOKOSA-N -1 3 375.462 3.373 20 0 GGADHM CCCN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)[C@@H]1CCN(C)C1 ZINC000646363961 567712204 /nfs/dbraw/zinc/71/22/04/567712204.db2.gz VHKXUPBGTMBXOS-CQSZACIVSA-N -1 3 379.917 3.228 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccccc1CSC)c1ccccc1 ZINC000507874301 567712325 /nfs/dbraw/zinc/71/23/25/567712325.db2.gz CDVCUINSBHFAOX-INIZCTEOSA-N -1 3 379.503 3.248 20 0 GGADHM CC(C)c1nc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cs1 ZINC000442854382 567712410 /nfs/dbraw/zinc/71/24/10/567712410.db2.gz AKRBWJVQRRZHMG-NSHDSACASA-N -1 3 389.493 3.174 20 0 GGADHM Cc1nc(C)c([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000442862990 567712714 /nfs/dbraw/zinc/71/27/14/567712714.db2.gz PUIWXSKBVAKIIJ-SECBINFHSA-N -1 3 391.921 3.182 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000442850098 567712766 /nfs/dbraw/zinc/71/27/66/567712766.db2.gz VAJXPNQUFZRCBF-GFCCVEGCSA-N -1 3 392.279 3.262 20 0 GGADHM Cc1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)ccc1S(C)(=O)=O ZINC000507888815 567713061 /nfs/dbraw/zinc/71/30/61/567713061.db2.gz NTRBVMWUSZDYHZ-UHFFFAOYSA-N -1 3 387.910 3.036 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)nc1C ZINC000507886282 567713419 /nfs/dbraw/zinc/71/34/19/567713419.db2.gz GWTXBMPMXIKLOZ-ZDUSSCGKSA-N -1 3 379.379 3.323 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c2ccccc2)s1 ZINC000460961865 567713630 /nfs/dbraw/zinc/71/36/30/567713630.db2.gz WJOYZELITORDRB-CQSZACIVSA-N -1 3 382.507 3.067 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(Cl)cn1 ZINC000442869261 567713787 /nfs/dbraw/zinc/71/37/87/567713787.db2.gz PEGKFEDAPPVFCG-JTQLQIEISA-N -1 3 392.283 3.157 20 0 GGADHM CCC[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000442877451 567713799 /nfs/dbraw/zinc/71/37/99/567713799.db2.gz UNKQYDLTHPHSFK-MRXNPFEDSA-N -1 3 385.892 3.283 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F)c1ccccc1 ZINC000507889563 567713798 /nfs/dbraw/zinc/71/37/98/567713798.db2.gz PDUUYMMXZUPYFC-LBPRGKRZSA-N -1 3 389.807 3.317 20 0 GGADHM Cc1cc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)[n-]c(=O)n1 ZINC000532408727 567713870 /nfs/dbraw/zinc/71/38/70/567713870.db2.gz JTLAEWPEALMBBN-UHFFFAOYSA-N -1 3 376.254 3.057 20 0 GGADHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000623489199 567714064 /nfs/dbraw/zinc/71/40/64/567714064.db2.gz UOHKSAOMTJKSSV-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)cn1 ZINC000507908746 567714476 /nfs/dbraw/zinc/71/44/76/567714476.db2.gz NWHIIWSJONJQNP-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM CCC[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000442877449 567714837 /nfs/dbraw/zinc/71/48/37/567714837.db2.gz UNKQYDLTHPHSFK-INIZCTEOSA-N -1 3 385.892 3.283 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(F)c1F ZINC000442866769 567714864 /nfs/dbraw/zinc/71/48/64/567714864.db2.gz XAOACYJCLZYGCF-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM Cc1ccc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000442866299 567714994 /nfs/dbraw/zinc/71/49/94/567714994.db2.gz HUYFBGKKTCIURV-NSHDSACASA-N -1 3 376.906 3.478 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccsc2)c(I)c1 ZINC000507908900 567715044 /nfs/dbraw/zinc/71/50/44/567715044.db2.gz OFYNOYQUYYBBGJ-UHFFFAOYSA-N -1 3 395.243 3.162 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(SC)c1C)c1ccccc1 ZINC000507902333 567715099 /nfs/dbraw/zinc/71/50/99/567715099.db2.gz MTJAVDJNPKCZKS-HNNXBMFYSA-N -1 3 379.503 3.415 20 0 GGADHM CCN(CCN1CCCCCC1)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000554177695 567715324 /nfs/dbraw/zinc/71/53/24/567715324.db2.gz WCAJQLLGRDZOAN-UHFFFAOYSA-N -1 3 379.555 3.418 20 0 GGADHM Cc1sc(Br)c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1C ZINC000507925481 567716012 /nfs/dbraw/zinc/71/60/12/567716012.db2.gz UPBLPBFRZFLUGN-UHFFFAOYSA-N -1 3 380.214 3.137 20 0 GGADHM Cc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000442903428 567716224 /nfs/dbraw/zinc/71/62/24/567716224.db2.gz PQAORJVBTMRLRH-VIFPVBQESA-N -1 3 397.913 3.238 20 0 GGADHM Cc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000442903428 567716229 /nfs/dbraw/zinc/71/62/29/567716229.db2.gz PQAORJVBTMRLRH-VIFPVBQESA-N -1 3 397.913 3.238 20 0 GGADHM Cn1cnc(-c2ccc([N-]S(=O)(=O)CCc3cccc(Cl)c3)cc2)n1 ZINC000507919805 567716311 /nfs/dbraw/zinc/71/63/11/567716311.db2.gz SQKFLGZVJDOSMO-UHFFFAOYSA-N -1 3 376.869 3.120 20 0 GGADHM CC1([N-]S(=O)(=O)c2cc(F)ccc2Br)Cc2ccccc2C1 ZINC000507922978 567716359 /nfs/dbraw/zinc/71/63/59/567716359.db2.gz SBOXUNZZFOEYLW-UHFFFAOYSA-N -1 3 384.270 3.424 20 0 GGADHM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000507923293 567716506 /nfs/dbraw/zinc/71/65/06/567716506.db2.gz WVRPDUZVJDEHEQ-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(Br)s2)c1 ZINC000461033301 567716943 /nfs/dbraw/zinc/71/69/43/567716943.db2.gz JTERHPDDFKTAJT-UHFFFAOYSA-N -1 3 389.296 3.443 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000442918819 567717209 /nfs/dbraw/zinc/71/72/09/567717209.db2.gz KOLRUKQLAQRTJR-GFCCVEGCSA-N -1 3 383.886 3.011 20 0 GGADHM CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000442918819 567717216 /nfs/dbraw/zinc/71/72/16/567717216.db2.gz KOLRUKQLAQRTJR-GFCCVEGCSA-N -1 3 383.886 3.011 20 0 GGADHM Cn1cc(-c2ncccc2[N-]S(=O)(=O)CCc2cccc(Cl)c2)cn1 ZINC000507948484 567717414 /nfs/dbraw/zinc/71/74/14/567717414.db2.gz CDFWGQVKPHJFTJ-UHFFFAOYSA-N -1 3 376.869 3.120 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000442908619 567717795 /nfs/dbraw/zinc/71/77/95/567717795.db2.gz PIYFEKAAOYJHOR-UHFFFAOYSA-N -1 3 385.532 3.304 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC(C)(C)C2)cc1 ZINC000507940415 567717835 /nfs/dbraw/zinc/71/78/35/567717835.db2.gz YCBNVESBXVOBOD-OAHLLOKOSA-N -1 3 388.555 3.085 20 0 GGADHM CN(CCc1cccc(Br)c1)Cc1c([O-])nnn1-c1ccccc1 ZINC000461042400 567718083 /nfs/dbraw/zinc/71/80/83/567718083.db2.gz ATUVZDAMWQMYNP-UHFFFAOYSA-N -1 3 387.281 3.410 20 0 GGADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1Cl)c1ccccc1 ZINC000507963143 567719894 /nfs/dbraw/zinc/71/98/94/567719894.db2.gz BNLKRIKOTFCEOY-LLVKDONJSA-N -1 3 389.807 3.317 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1[O-] ZINC000442960530 567720021 /nfs/dbraw/zinc/72/00/21/567720021.db2.gz AALCVLJQIBAIPK-AWEZNQCLSA-N -1 3 391.265 3.172 20 0 GGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000507964939 567719979 /nfs/dbraw/zinc/71/99/79/567719979.db2.gz AHHONCZSMATEBP-UHFFFAOYSA-N -1 3 380.832 3.249 20 0 GGADHM CSc1nc2nc(C)c(CC(=O)Nc3c([O-])cccc3Cl)c(C)n2n1 ZINC000646489740 567720242 /nfs/dbraw/zinc/72/02/42/567720242.db2.gz MVZOBKDWCQMYDT-UHFFFAOYSA-N -1 3 377.857 3.003 20 0 GGADHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1F ZINC000507987244 567721072 /nfs/dbraw/zinc/72/10/72/567721072.db2.gz RJPWGZFLDVJDIP-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM O=S(=O)(CCc1ccccc1Br)[N-]c1ncccc1Cl ZINC000461113553 567721467 /nfs/dbraw/zinc/72/14/67/567721467.db2.gz PJPWHQBLHLWJOS-UHFFFAOYSA-N -1 3 375.675 3.482 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000461110568 567721513 /nfs/dbraw/zinc/72/15/13/567721513.db2.gz FZBQJXNUDOVEPP-HSZRJFAPSA-N -1 3 393.864 3.439 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)ccc1[O-] ZINC000442981798 567721596 /nfs/dbraw/zinc/72/15/96/567721596.db2.gz VTBWOLXNELKRJO-ZDUSSCGKSA-N -1 3 391.265 3.172 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c(F)c1 ZINC000461115392 567722562 /nfs/dbraw/zinc/72/25/62/567722562.db2.gz XCZILPVKWFASFB-QHCPKHFHSA-N -1 3 391.873 3.167 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2cc(C)ccc21 ZINC000443007487 567723342 /nfs/dbraw/zinc/72/33/42/567723342.db2.gz OTDSVHJSSFNXGG-INIZCTEOSA-N -1 3 379.865 3.401 20 0 GGADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc4c(c3)ncn4C)CCCC2)n1 ZINC000532564599 567723512 /nfs/dbraw/zinc/72/35/12/567723512.db2.gz CWQHLDVWGAHVRW-UHFFFAOYSA-N -1 3 376.507 3.086 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000443020850 567724173 /nfs/dbraw/zinc/72/41/73/567724173.db2.gz SFTWRACGWBZSSS-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000532605766 567724367 /nfs/dbraw/zinc/72/43/67/567724367.db2.gz WLNHYBYTNIOXHX-HNNXBMFYSA-N -1 3 375.368 3.286 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000443023144 567724489 /nfs/dbraw/zinc/72/44/89/567724489.db2.gz LMXRJJZHFCRVAP-LBPRGKRZSA-N -1 3 383.491 3.361 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443023611 567724612 /nfs/dbraw/zinc/72/46/12/567724612.db2.gz MCDUUTOVTWVUAK-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443023611 567724618 /nfs/dbraw/zinc/72/46/18/567724618.db2.gz MCDUUTOVTWVUAK-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM COc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)ccc1Cl ZINC000461226796 567725621 /nfs/dbraw/zinc/72/56/21/567725621.db2.gz AXOKUFXUMWCMEI-UHFFFAOYSA-N -1 3 377.231 3.472 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000443038284 567725876 /nfs/dbraw/zinc/72/58/76/567725876.db2.gz ODNSYGKIIIYTKM-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000461237842 567725991 /nfs/dbraw/zinc/72/59/91/567725991.db2.gz YUDHGMGLOBFBCC-UHFFFAOYSA-N -1 3 375.215 3.032 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(OC)cc1 ZINC000443037713 567726010 /nfs/dbraw/zinc/72/60/10/567726010.db2.gz NZEQLDRZXMHUGZ-LLVKDONJSA-N -1 3 383.853 3.175 20 0 GGADHM Cc1cc(Br)oc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461233662 567726262 /nfs/dbraw/zinc/72/62/62/567726262.db2.gz ONMIOEDYIOISOZ-UHFFFAOYSA-N -1 3 395.644 3.474 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(Br)o1 ZINC000461232512 567726304 /nfs/dbraw/zinc/72/63/04/567726304.db2.gz CUHQFOHTNFTPCN-UHFFFAOYSA-N -1 3 381.617 3.165 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@]1(C)CCCc2ccccc21 ZINC000508074199 567726428 /nfs/dbraw/zinc/72/64/28/567726428.db2.gz NYPMDZUPTQEBAM-SFHVURJKSA-N -1 3 379.503 3.373 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1cc(Cl)ccc1Cl ZINC000443037448 567726484 /nfs/dbraw/zinc/72/64/84/567726484.db2.gz NWDKKFKJHSZLJL-SSDOTTSWSA-N -1 3 395.289 3.276 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccc(Br)cc1Cl ZINC000554416269 567727297 /nfs/dbraw/zinc/72/72/97/567727297.db2.gz JZCTWRVSXCEILL-UHFFFAOYSA-N -1 3 379.645 3.494 20 0 GGADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)NC)c1Br ZINC000508088715 567727802 /nfs/dbraw/zinc/72/78/02/567727802.db2.gz KYXNQNWCJWRCJC-UHFFFAOYSA-N -1 3 397.294 3.172 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C(=O)OC)cc2Cl)cn1 ZINC000508089973 567727885 /nfs/dbraw/zinc/72/78/85/567727885.db2.gz SLDHIHOEWKYVRN-UHFFFAOYSA-N -1 3 384.841 3.030 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000443078536 567728452 /nfs/dbraw/zinc/72/84/52/567728452.db2.gz NZNXPUJZOUHEAP-CYBMUJFWSA-N -1 3 379.865 3.135 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)no1 ZINC000508100132 567728732 /nfs/dbraw/zinc/72/87/32/567728732.db2.gz MMWGESSCHVMWHI-UHFFFAOYSA-N -1 3 383.779 3.264 20 0 GGADHM CS(=O)(=O)N1CCCc2cc(C(=O)Nc3c([O-])cccc3Cl)ccc21 ZINC000573671226 567728687 /nfs/dbraw/zinc/72/86/87/567728687.db2.gz UJJUNBLUYOKKCA-UHFFFAOYSA-N -1 3 380.853 3.010 20 0 GGADHM Cc1noc2ncc([N-]S(=O)(=O)CCc3ccccc3Br)cc12 ZINC000461332828 567729664 /nfs/dbraw/zinc/72/96/64/567729664.db2.gz PTTCEATWMSAJGQ-UHFFFAOYSA-N -1 3 396.266 3.278 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1CCSCC1 ZINC000443084916 567729814 /nfs/dbraw/zinc/72/98/14/567729814.db2.gz JIYVFMGFYXQOMS-UHFFFAOYSA-N -1 3 385.532 3.109 20 0 GGADHM CC[C@H](C)CCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000597978013 567730342 /nfs/dbraw/zinc/73/03/42/567730342.db2.gz NKVVNODZUHSRHX-JTQLQIEISA-N -1 3 398.244 3.299 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000443095981 567731465 /nfs/dbraw/zinc/73/14/65/567731465.db2.gz SNHWEBPBMASKJL-UHFFFAOYSA-N -1 3 383.466 3.073 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000443108922 567732413 /nfs/dbraw/zinc/73/24/13/567732413.db2.gz KLRZBDITWYYPDZ-CYBMUJFWSA-N -1 3 383.878 3.252 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1Cl ZINC000443106620 567732425 /nfs/dbraw/zinc/73/24/25/567732425.db2.gz YKULTQXKHYMDOL-ZETCQYMHSA-N -1 3 395.289 3.276 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1cccc2ccccc21 ZINC000443108973 567732552 /nfs/dbraw/zinc/73/25/52/567732552.db2.gz OJKVYDQZQOMIFK-NSHDSACASA-N -1 3 376.459 3.122 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccc(C(C)(C)C)cc1 ZINC000443105235 567732564 /nfs/dbraw/zinc/73/25/64/567732564.db2.gz GFCNKPXDNNRDLL-UHFFFAOYSA-N -1 3 381.519 3.353 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000443108566 567732746 /nfs/dbraw/zinc/73/27/46/567732746.db2.gz NFYTVVQMRBIIFC-CYBMUJFWSA-N -1 3 381.450 3.128 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000443103995 567732832 /nfs/dbraw/zinc/73/28/32/567732832.db2.gz SWKSLYUTZSIZAN-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000443108924 567732972 /nfs/dbraw/zinc/73/29/72/567732972.db2.gz KLRZBDITWYYPDZ-ZDUSSCGKSA-N -1 3 383.878 3.252 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000532761309 567733104 /nfs/dbraw/zinc/73/31/04/567733104.db2.gz GPCFJPSLHYRNIH-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000554525355 567733094 /nfs/dbraw/zinc/73/30/94/567733094.db2.gz UDBCWVQDRNAWKB-LBPRGKRZSA-N -1 3 385.265 3.497 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)COc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000532774791 567734182 /nfs/dbraw/zinc/73/41/82/567734182.db2.gz MMBFDBBODZHTBG-CQSZACIVSA-N -1 3 397.905 3.273 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1CO)c1csc(-c2ccc(Cl)cc2)n1 ZINC000532775103 567734406 /nfs/dbraw/zinc/73/44/06/567734406.db2.gz COVZMSZFIJITNT-UHFFFAOYSA-N -1 3 394.905 3.434 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000532783318 567734532 /nfs/dbraw/zinc/73/45/32/567734532.db2.gz VRNDDANIJAOXCC-UHFFFAOYSA-N -1 3 398.859 3.488 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1OC(C)C ZINC000532775681 567734867 /nfs/dbraw/zinc/73/48/67/567734867.db2.gz CBZLXVBAUMLODV-LBPRGKRZSA-N -1 3 383.491 3.361 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443147306 567735038 /nfs/dbraw/zinc/73/50/38/567735038.db2.gz OYRPDGRUOYYVSA-HNNXBMFYSA-N -1 3 394.905 3.475 20 0 GGADHM COCC1(S(=O)(=O)[N-]Cc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000573773837 567735104 /nfs/dbraw/zinc/73/51/04/567735104.db2.gz YAWYJJRTHXYZNX-UHFFFAOYSA-N -1 3 378.475 3.155 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(Cl)c2)s1 ZINC000461423050 567735272 /nfs/dbraw/zinc/73/52/72/567735272.db2.gz KDGFCLREUYZVFI-UHFFFAOYSA-N -1 3 389.930 3.100 20 0 GGADHM COc1cc(C(=O)NCc2cc(Br)cc3c2OCC3)ccc1[O-] ZINC000443135714 567735332 /nfs/dbraw/zinc/73/53/32/567735332.db2.gz YEYXUZGMNWLQTF-UHFFFAOYSA-N -1 3 378.222 3.028 20 0 GGADHM CC(C)c1cc(C(=O)[N-]c2ccc(Br)cc2S(C)(=O)=O)on1 ZINC000508189376 567736025 /nfs/dbraw/zinc/73/60/25/567736025.db2.gz KOJMFHFKEBWDDU-UHFFFAOYSA-N -1 3 387.255 3.216 20 0 GGADHM C[C@@H]1CCCC[C@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000532790305 567736197 /nfs/dbraw/zinc/73/61/97/567736197.db2.gz KWTBQPFVKFKLOW-NEPJUHHUSA-N -1 3 378.947 3.012 20 0 GGADHM CCCC[C@@H](C)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000461425421 567736569 /nfs/dbraw/zinc/73/65/69/567736569.db2.gz NQMKSMBMDRIKOF-GFCCVEGCSA-N -1 3 380.432 3.021 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1cccc(F)c1 ZINC000461473018 567737956 /nfs/dbraw/zinc/73/79/56/567737956.db2.gz ZEUXOGRLXMFARA-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)ccc1C ZINC000508220090 567738436 /nfs/dbraw/zinc/73/84/36/567738436.db2.gz DMTIQLVZFLXVBN-OAHLLOKOSA-N -1 3 379.400 3.181 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2cnc(C)s2)c(-c2ccccc2)s1 ZINC000443209753 567739828 /nfs/dbraw/zinc/73/98/28/567739828.db2.gz GYCPUVONKXSWJI-UHFFFAOYSA-N -1 3 395.531 3.200 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1csc(-c2ccccc2)n1 ZINC000532866041 567740034 /nfs/dbraw/zinc/74/00/34/567740034.db2.gz HRAISNPJXALJBZ-WMLDXEAASA-N -1 3 396.559 3.143 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 ZINC000443213996 567740047 /nfs/dbraw/zinc/74/00/47/567740047.db2.gz LRBHECPVWCJUSO-CQSZACIVSA-N -1 3 399.299 3.357 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCCCc2ccccc21 ZINC000461572468 567740085 /nfs/dbraw/zinc/74/00/85/567740085.db2.gz HXOMDWMPSMDDTM-CQSZACIVSA-N -1 3 378.519 3.175 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)s1 ZINC000443208771 567740204 /nfs/dbraw/zinc/74/02/04/567740204.db2.gz PKJPUBWRGULHNM-LBPRGKRZSA-N -1 3 388.308 3.490 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)c(C)o1 ZINC000532855466 567740264 /nfs/dbraw/zinc/74/02/64/567740264.db2.gz RYLWYLRMTPTPOJ-QMMMGPOBSA-N -1 3 375.805 3.207 20 0 GGADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000532854450 567740429 /nfs/dbraw/zinc/74/04/29/567740429.db2.gz YFGFGCIGOCFHLJ-UHFFFAOYSA-N -1 3 380.775 3.155 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)N1CCCCC1=O ZINC000554670312 567740729 /nfs/dbraw/zinc/74/07/29/567740729.db2.gz CLQBSAWWMTYEPZ-LLVKDONJSA-N -1 3 384.885 3.074 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C)N1CCCCC1=O ZINC000554670313 567740759 /nfs/dbraw/zinc/74/07/59/567740759.db2.gz CLQBSAWWMTYEPZ-NSHDSACASA-N -1 3 384.885 3.074 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2cccs2)c(-c2ccccc2)s1 ZINC000443227329 567741057 /nfs/dbraw/zinc/74/10/57/567741057.db2.gz OTWJRKASSAQTGI-UHFFFAOYSA-N -1 3 380.516 3.497 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC[C@H](C)c1ccc(OC)cc1 ZINC000443235536 567742139 /nfs/dbraw/zinc/74/21/39/567742139.db2.gz CLYXKLBBKUXIIG-LBPRGKRZSA-N -1 3 383.491 3.015 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000443241239 567742407 /nfs/dbraw/zinc/74/24/07/567742407.db2.gz ALDYYCVNMKNNEK-CZUORRHYSA-N -1 3 379.865 3.036 20 0 GGADHM CN(C)c1c(Cl)cccc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000508318984 567743422 /nfs/dbraw/zinc/74/34/22/567743422.db2.gz ORGDXSHGPRSHBC-UHFFFAOYSA-N -1 3 385.848 3.169 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CO)c3ccc(F)cc3)s2)cs1 ZINC000443262441 567743466 /nfs/dbraw/zinc/74/34/66/567743466.db2.gz KHGFSWWSYULUEM-ZDUSSCGKSA-N -1 3 398.506 3.331 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1cc(F)ccc1Br ZINC000443263504 567743787 /nfs/dbraw/zinc/74/37/87/567743787.db2.gz CDRPFJJVHZNDME-UHFFFAOYSA-N -1 3 388.258 3.205 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1cc(C(F)(F)F)ccc1F ZINC000443264737 567743856 /nfs/dbraw/zinc/74/38/56/567743856.db2.gz FCPNLDNCBHWNHK-UHFFFAOYSA-N -1 3 377.359 3.461 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)Cc1cccs1 ZINC000443255191 567743922 /nfs/dbraw/zinc/74/39/22/567743922.db2.gz XVEIQCVXDSHMRB-NSHDSACASA-N -1 3 387.910 3.345 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c1Cl ZINC000443262045 567743998 /nfs/dbraw/zinc/74/39/98/567743998.db2.gz HBXNWIWFIDMGDE-CYBMUJFWSA-N -1 3 378.252 3.453 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000554707278 567743978 /nfs/dbraw/zinc/74/39/78/567743978.db2.gz HDALXXRRKVZKHV-ZBEGNZNMSA-N -1 3 382.279 3.391 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000554707116 567744443 /nfs/dbraw/zinc/74/44/43/567744443.db2.gz DFFZEEIUVXIWNF-MEDUHNTESA-N -1 3 382.279 3.391 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000554707117 567744546 /nfs/dbraw/zinc/74/45/46/567744546.db2.gz DFFZEEIUVXIWNF-ZBEGNZNMSA-N -1 3 382.279 3.391 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](CO)c1cccc(F)c1 ZINC000443272857 567745000 /nfs/dbraw/zinc/74/50/00/567745000.db2.gz UKZMIJHYHHATBO-HNNXBMFYSA-N -1 3 378.252 3.286 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1Cl ZINC000443269273 567745090 /nfs/dbraw/zinc/74/50/90/567745090.db2.gz QCVLSCRWVOJTMI-GFCCVEGCSA-N -1 3 382.215 3.284 20 0 GGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000443275555 567745293 /nfs/dbraw/zinc/74/52/93/567745293.db2.gz PROSDUKHGCDBID-UHFFFAOYSA-N -1 3 384.361 3.429 20 0 GGADHM CC(C)[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCO1 ZINC000554722743 567745472 /nfs/dbraw/zinc/74/54/72/567745472.db2.gz ZHYMDPHNMCHMKZ-QGZVFWFLSA-N -1 3 393.281 3.178 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Cl)NCCCNC(=O)c1cccc([O-])c1 ZINC000508384601 567745726 /nfs/dbraw/zinc/74/57/26/567745726.db2.gz UTLDFEOQHYEAFZ-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443301655 567745929 /nfs/dbraw/zinc/74/59/29/567745929.db2.gz NARPPVXNXLCLPX-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM CC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1[O-] ZINC000573942807 567746679 /nfs/dbraw/zinc/74/66/79/567746679.db2.gz BFVHCTWINPPWTM-UHFFFAOYSA-N -1 3 381.169 3.452 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1cc(F)ccc1Br ZINC000443312806 567747338 /nfs/dbraw/zinc/74/73/38/567747338.db2.gz HHWXJHDNAJJACV-AWEZNQCLSA-N -1 3 394.306 3.198 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2cc(C)ncc2C)cnn1-c1ccc(Cl)cc1 ZINC000533009542 567747613 /nfs/dbraw/zinc/74/76/13/567747613.db2.gz AZKIBVJSOJZEBS-UHFFFAOYSA-N -1 3 376.869 3.069 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000443324976 567748315 /nfs/dbraw/zinc/74/83/15/567748315.db2.gz ZIDZMGIBIZULMN-UHFFFAOYSA-N -1 3 384.361 3.286 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)CC1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000461792598 567748458 /nfs/dbraw/zinc/74/84/58/567748458.db2.gz WVMOFVZCBLCFDG-GFCCVEGCSA-N -1 3 383.407 3.312 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)CC1CCCC1)c1cc(F)ccc1Br ZINC000461792838 567748909 /nfs/dbraw/zinc/74/89/09/567748909.db2.gz ZXNRLEPPJUYDQG-GFCCVEGCSA-N -1 3 394.306 3.055 20 0 GGADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cn1 ZINC000554793008 567748920 /nfs/dbraw/zinc/74/89/20/567748920.db2.gz FUPNIGDOTDLZEI-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C)cc2F)N(C)C)cc1 ZINC000573976128 567748991 /nfs/dbraw/zinc/74/89/91/567748991.db2.gz WYYPSDJFGBCCGT-QGZVFWFLSA-N -1 3 382.526 3.437 20 0 GGADHM CC[C@@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000598232917 567749180 /nfs/dbraw/zinc/74/91/80/567749180.db2.gz JRBMJMORJNGQIX-CYBMUJFWSA-N -1 3 396.228 3.051 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000443342221 567749205 /nfs/dbraw/zinc/74/92/05/567749205.db2.gz DAIXSWNQRGUENB-AWEZNQCLSA-N -1 3 386.470 3.135 20 0 GGADHM O=C(N=c1ccn(CC(F)(F)F)[nH]1)c1cc2cc(Br)sc2[n-]1 ZINC000646925698 567749403 /nfs/dbraw/zinc/74/94/03/567749403.db2.gz TVRBWZYAXYSJKY-UHFFFAOYSA-N -1 3 393.188 3.425 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)s1 ZINC000443334308 567749766 /nfs/dbraw/zinc/74/97/66/567749766.db2.gz LOOFMLPWWYCTKJ-LLVKDONJSA-N -1 3 384.361 3.142 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(C)(C)C ZINC000443340603 567750177 /nfs/dbraw/zinc/75/01/77/567750177.db2.gz ANZBNXWEXMNKBW-OAHLLOKOSA-N -1 3 382.507 3.304 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000443348192 567750579 /nfs/dbraw/zinc/75/05/79/567750579.db2.gz ZVIBPPRKPPZDDR-AAEUAGOBSA-N -1 3 379.400 3.120 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000443348200 567751085 /nfs/dbraw/zinc/75/10/85/567751085.db2.gz ZVIBPPRKPPZDDR-WCQYABFASA-N -1 3 379.400 3.120 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000443348196 567751133 /nfs/dbraw/zinc/75/11/33/567751133.db2.gz ZVIBPPRKPPZDDR-DGCLKSJQSA-N -1 3 379.400 3.120 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C ZINC000461860550 567751230 /nfs/dbraw/zinc/75/12/30/567751230.db2.gz VBVRCFFSJMWRBK-RDBSUJKOSA-N -1 3 375.918 3.468 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC[C@H]1O ZINC000443354458 567751295 /nfs/dbraw/zinc/75/12/95/567751295.db2.gz ISBRSOCPRRDQCW-ZIAGYGMSSA-N -1 3 396.734 3.322 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](CO)Cc2c(F)cccc2Cl)c1 ZINC000443345146 567751447 /nfs/dbraw/zinc/75/14/47/567751447.db2.gz QWFBDJFIGQHHLQ-GFCCVEGCSA-N -1 3 389.851 3.056 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)sc1Br ZINC000533095190 567751446 /nfs/dbraw/zinc/75/14/46/567751446.db2.gz SPTQYOVGGIIMMA-LBPRGKRZSA-N -1 3 390.324 3.139 20 0 GGADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cc(Br)ccc1Cl ZINC000443375309 567751981 /nfs/dbraw/zinc/75/19/81/567751981.db2.gz SDATYMSTOZTOMY-ZDUSSCGKSA-N -1 3 396.734 3.322 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)c(Cl)c1Cl ZINC000443376297 567752084 /nfs/dbraw/zinc/75/20/84/567752084.db2.gz WLEFLCUSJQDQKB-NSHDSACASA-N -1 3 382.309 3.222 20 0 GGADHM Cc1csc([C@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000623982165 567752583 /nfs/dbraw/zinc/75/25/83/567752583.db2.gz GYRXJNXQBBVWTB-JTQLQIEISA-N -1 3 394.349 3.387 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)s1 ZINC000443386129 567753403 /nfs/dbraw/zinc/75/34/03/567753403.db2.gz MMMOBDPCLJYNOS-LBPRGKRZSA-N -1 3 382.345 3.039 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000443380720 567753706 /nfs/dbraw/zinc/75/37/06/567753706.db2.gz IKZREXQNLMULFD-SNVBAGLBSA-N -1 3 388.258 3.203 20 0 GGADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000443391636 567753836 /nfs/dbraw/zinc/75/38/36/567753836.db2.gz VIGVSWIKZVMPPI-SECBINFHSA-N -1 3 376.297 3.126 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)sc1Br ZINC000443387438 567753973 /nfs/dbraw/zinc/75/39/73/567753973.db2.gz OCBGFNNZJYCNLB-JTQLQIEISA-N -1 3 390.324 3.434 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000443394655 567753989 /nfs/dbraw/zinc/75/39/89/567753989.db2.gz ZMYKCGONZIJIHV-JTQLQIEISA-N -1 3 377.359 3.460 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1csc(-c2ccccc2)n1 ZINC000533149876 567754986 /nfs/dbraw/zinc/75/49/86/567754986.db2.gz VRVJANJYGQIEJV-BMFZPTHFSA-N -1 3 376.503 3.046 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(Br)c1)c1cncc(Cl)c1 ZINC000533174287 567755908 /nfs/dbraw/zinc/75/59/08/567755908.db2.gz XAAKCMLZWQWDQF-KGLIPLIRSA-N -1 3 387.686 3.332 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Br)c1cncc(Cl)c1 ZINC000533176592 567756177 /nfs/dbraw/zinc/75/61/77/567756177.db2.gz NNUNCIUFTXPXHM-CQSZACIVSA-N -1 3 387.686 3.463 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Br)c1cncc(Cl)c1 ZINC000533176591 567756982 /nfs/dbraw/zinc/75/69/82/567756982.db2.gz NNUNCIUFTXPXHM-AWEZNQCLSA-N -1 3 387.686 3.463 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)c(C)o1 ZINC000533174663 567756807 /nfs/dbraw/zinc/75/68/07/567756807.db2.gz YTBUPJGECLHGCG-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)Cc2cc(Br)ccc2F)s1 ZINC000533178813 567756876 /nfs/dbraw/zinc/75/68/76/567756876.db2.gz GUEWYHFWCOOSEM-MRVPVSSYSA-N -1 3 393.303 3.263 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2cccc(COCC(F)(F)F)c2)s1 ZINC000533175635 567756951 /nfs/dbraw/zinc/75/69/51/567756951.db2.gz KGBNBDDITSTWOH-UHFFFAOYSA-N -1 3 380.413 3.009 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1cncc(Cl)c1 ZINC000533174531 567756974 /nfs/dbraw/zinc/75/69/74/567756974.db2.gz OOMKKBVNCOCTAV-UHFFFAOYSA-N -1 3 380.775 3.111 20 0 GGADHM CO[C@@](C)(C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C1CC1 ZINC000462025438 567759722 /nfs/dbraw/zinc/75/97/22/567759722.db2.gz FFHKDZAKSTXLBZ-MRXNPFEDSA-N -1 3 382.233 3.154 20 0 GGADHM CC1(C)C[C@@]1(C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000598385505 567760363 /nfs/dbraw/zinc/76/03/63/567760363.db2.gz KBVRUQZJBOGKFS-MRXNPFEDSA-N -1 3 396.228 3.051 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cc(Br)ccc2C)no1 ZINC000508667178 567760631 /nfs/dbraw/zinc/76/06/31/567760631.db2.gz RTEUEDGPUHCSNY-UHFFFAOYSA-N -1 3 388.287 3.027 20 0 GGADHM [O-]c1c(Br)cc(CN(CCCO)C2CC2)cc1Br ZINC000667630339 567760952 /nfs/dbraw/zinc/76/09/52/567760952.db2.gz AODDJZAYHPLOFB-UHFFFAOYSA-N -1 3 379.092 3.264 20 0 GGADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(C)c1Br)CO2 ZINC000533253153 567761031 /nfs/dbraw/zinc/76/10/31/567761031.db2.gz HGGLHDOFFGMJAZ-CYBMUJFWSA-N -1 3 382.279 3.478 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1)C(C)C ZINC000647125870 567761731 /nfs/dbraw/zinc/76/17/31/567761731.db2.gz CNKZXBBZVJVBMB-INIZCTEOSA-N -1 3 392.974 3.306 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000647123320 567761753 /nfs/dbraw/zinc/76/17/53/567761753.db2.gz NHTOFLMSKLRXLV-UHFFFAOYSA-N -1 3 387.816 3.450 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1)C(C)C ZINC000647123261 567761840 /nfs/dbraw/zinc/76/18/40/567761840.db2.gz IZNZJRFMZWBIHY-OAHLLOKOSA-N -1 3 382.507 3.413 20 0 GGADHM O=S(=O)([N-]CCc1ccc2c[nH]nc2c1)c1ccc(C(F)(F)F)s1 ZINC000462052593 567762024 /nfs/dbraw/zinc/76/20/24/567762024.db2.gz ABOJKSBGLNIDSL-UHFFFAOYSA-N -1 3 375.397 3.164 20 0 GGADHM Cc1ccc(SCC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000574196785 567762630 /nfs/dbraw/zinc/76/26/30/567762630.db2.gz FUXVOLJKVBIWJI-UHFFFAOYSA-N -1 3 387.324 3.223 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1 ZINC000647129238 567762572 /nfs/dbraw/zinc/76/25/72/567762572.db2.gz LWGCGJLUCZADGB-OAHLLOKOSA-N -1 3 376.906 3.491 20 0 GGADHM COc1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)cc1Br ZINC000555018053 567762714 /nfs/dbraw/zinc/76/27/14/567762714.db2.gz CRKOSBVDYXEWMR-UHFFFAOYSA-N -1 3 387.237 3.173 20 0 GGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000574193226 567763116 /nfs/dbraw/zinc/76/31/16/567763116.db2.gz JDEVISPOPIIMGZ-AWEZNQCLSA-N -1 3 378.252 3.286 20 0 GGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462059759 567763369 /nfs/dbraw/zinc/76/33/69/567763369.db2.gz OBZKSFFFZRIOPI-UHFFFAOYSA-N -1 3 385.429 3.167 20 0 GGADHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462057697 567763469 /nfs/dbraw/zinc/76/34/69/567763469.db2.gz NCAVPRXOVACICI-UHFFFAOYSA-N -1 3 381.445 3.104 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000443510204 567764106 /nfs/dbraw/zinc/76/41/06/567764106.db2.gz PARXJVGQOAWFHI-UHFFFAOYSA-N -1 3 396.184 3.051 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCN(c3cc(Cl)ccc3C)C2)s1 ZINC000574221719 567764163 /nfs/dbraw/zinc/76/41/63/567764163.db2.gz IKRICMOGVYOMPY-ZDUSSCGKSA-N -1 3 385.942 3.218 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c(C)cn1 ZINC000533330887 567764522 /nfs/dbraw/zinc/76/45/22/567764522.db2.gz WBSVJMWSFQAWMY-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM COC[C@H](C)[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000462065540 567764858 /nfs/dbraw/zinc/76/48/58/567764858.db2.gz AYMICMINSXDJPG-IUCAKERBSA-N -1 3 385.237 3.230 20 0 GGADHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000508759047 567764910 /nfs/dbraw/zinc/76/49/10/567764910.db2.gz MRGQJUPABGWNBR-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM COC[C@@H](C)[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000462065538 567765054 /nfs/dbraw/zinc/76/50/54/567765054.db2.gz AYMICMINSXDJPG-BDAKNGLRSA-N -1 3 385.237 3.230 20 0 GGADHM [O-]c1ccc(CNCc2cn(-c3ccccc3Br)nn2)cc1F ZINC000574244222 567766547 /nfs/dbraw/zinc/76/65/47/567766547.db2.gz XOMYBPXWMJRTHC-UHFFFAOYSA-N -1 3 377.217 3.164 20 0 GGADHM COc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)c([O-])c1 ZINC000443555226 567767152 /nfs/dbraw/zinc/76/71/52/567767152.db2.gz CTXMJEUXLKRBTC-VIFPVBQESA-N -1 3 383.231 3.465 20 0 GGADHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508809267 567767918 /nfs/dbraw/zinc/76/79/18/567767918.db2.gz CMYOBIQGNYUYCT-UHFFFAOYSA-N -1 3 381.807 3.232 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1ccc(C(F)(F)F)s1 ZINC000462084018 567768132 /nfs/dbraw/zinc/76/81/32/567768132.db2.gz LBSNBPMKQCHWMH-UHFFFAOYSA-N -1 3 391.440 3.241 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)s1 ZINC000624210034 567768305 /nfs/dbraw/zinc/76/83/05/567768305.db2.gz TUIZCJRXIHGYAQ-KBPBESRZSA-N -1 3 380.535 3.417 20 0 GGADHM C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000462083590 567768780 /nfs/dbraw/zinc/76/87/80/567768780.db2.gz IIYTWHUWIQQGMD-HNNXBMFYSA-N -1 3 393.452 3.287 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462080698 567768794 /nfs/dbraw/zinc/76/87/94/567768794.db2.gz XKQFOKOMYDLLIQ-ZANVPECISA-N -1 3 385.429 3.167 20 0 GGADHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462080697 567768832 /nfs/dbraw/zinc/76/88/32/567768832.db2.gz XKQFOKOMYDLLIQ-TVQRCGJNSA-N -1 3 385.429 3.167 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1ccc(C(F)(F)F)s1 ZINC000462085678 567768863 /nfs/dbraw/zinc/76/88/63/567768863.db2.gz SAYOKUHVRAXPRP-UHFFFAOYSA-N -1 3 387.408 3.431 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])Nc1cccc(F)c1-c1nc[nH]n1 ZINC000508836906 567768998 /nfs/dbraw/zinc/76/89/98/567768998.db2.gz FIXMLQXUBVCXET-UHFFFAOYSA-N -1 3 391.200 3.260 20 0 GGADHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CC2 ZINC000462092456 567769519 /nfs/dbraw/zinc/76/95/19/567769519.db2.gz XEFMJIAITTXREK-NSHDSACASA-N -1 3 393.456 3.380 20 0 GGADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000462092532 567769973 /nfs/dbraw/zinc/76/99/73/567769973.db2.gz JOMIDJLPVIDISZ-UHFFFAOYSA-N -1 3 392.424 3.246 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Nc1ccc(Cl)cc1 ZINC000462094324 567770750 /nfs/dbraw/zinc/77/07/50/567770750.db2.gz QQTJHIXBIZTLSN-UHFFFAOYSA-N -1 3 398.815 3.337 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000443686255 567770807 /nfs/dbraw/zinc/77/08/07/567770807.db2.gz PNTXXYJJFDGQSQ-NSHDSACASA-N -1 3 379.791 3.289 20 0 GGADHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1ccc(C(F)(F)F)s1 ZINC000462096553 567771005 /nfs/dbraw/zinc/77/10/05/567771005.db2.gz JSHRMFGEHHNBGX-UHFFFAOYSA-N -1 3 389.424 3.485 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)ccc1=O ZINC000555139326 567771783 /nfs/dbraw/zinc/77/17/83/567771783.db2.gz BOLQIVXLJCUMHQ-UHFFFAOYSA-N -1 3 391.674 3.085 20 0 GGADHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508871776 567771905 /nfs/dbraw/zinc/77/19/05/567771905.db2.gz DXFQEQQZGODGPM-LLVKDONJSA-N -1 3 387.807 3.225 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC ZINC000508873598 567771957 /nfs/dbraw/zinc/77/19/57/567771957.db2.gz OXQAGBFWASVWOZ-QPUJVOFHSA-N -1 3 387.807 3.225 20 0 GGADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000443720866 567772342 /nfs/dbraw/zinc/77/23/42/567772342.db2.gz FSIDOAVFJOQTER-GFCCVEGCSA-N -1 3 385.532 3.384 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1OC ZINC000462104989 567772311 /nfs/dbraw/zinc/77/23/11/567772311.db2.gz NDFSYBKYKZHKNU-UHFFFAOYSA-N -1 3 395.424 3.305 20 0 GGADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462105394 567772515 /nfs/dbraw/zinc/77/25/15/567772515.db2.gz TXLXPOKHXJRUIB-LBPRGKRZSA-N -1 3 379.425 3.211 20 0 GGADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443743767 567773545 /nfs/dbraw/zinc/77/35/45/567773545.db2.gz JRUPVIXPSKPXLX-RNCFNFMXSA-N -1 3 384.723 3.178 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000574339574 567773520 /nfs/dbraw/zinc/77/35/20/567773520.db2.gz JUEVQLXDADRYQN-MWLCHTKSSA-N -1 3 384.242 3.156 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@H](O)Cc1ccccc1 ZINC000462108631 567773614 /nfs/dbraw/zinc/77/36/14/567773614.db2.gz GKUJRRPIEILWNQ-ZYHUDNBSSA-N -1 3 379.425 3.037 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2ccccc2)no1 ZINC000598536561 567773661 /nfs/dbraw/zinc/77/36/61/567773661.db2.gz ZIHOUHKBNCHWAA-LBPRGKRZSA-N -1 3 377.853 3.353 20 0 GGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443744143 567773726 /nfs/dbraw/zinc/77/37/26/567773726.db2.gz KXEOKFAQRYARJA-CYBMUJFWSA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)oc1C ZINC000574367378 567774384 /nfs/dbraw/zinc/77/43/84/567774384.db2.gz WAALDVICIPKEHU-SNVBAGLBSA-N -1 3 375.855 3.055 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000533547495 567774561 /nfs/dbraw/zinc/77/45/61/567774561.db2.gz YQHHUHVVEBBTHT-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1ccc(Br)c(Cl)c1 ZINC000443768487 567774818 /nfs/dbraw/zinc/77/48/18/567774818.db2.gz CVQLYNVVCYXHFQ-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443764554 567774902 /nfs/dbraw/zinc/77/49/02/567774902.db2.gz MKSKYQVSARJXLD-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1ccc(Br)c(Cl)c1 ZINC000443762364 567774997 /nfs/dbraw/zinc/77/49/97/567774997.db2.gz WCNQRFAFNOJCBR-LBPRGKRZSA-N -1 3 390.690 3.182 20 0 GGADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443770324 567775105 /nfs/dbraw/zinc/77/51/05/567775105.db2.gz JOFORWVSHJTVDR-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)o1 ZINC000533554872 567775262 /nfs/dbraw/zinc/77/52/62/567775262.db2.gz AAZRDZIXISWNRN-UHFFFAOYSA-N -1 3 377.443 3.273 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1ccc(C(F)(F)F)s1 ZINC000555224480 567775485 /nfs/dbraw/zinc/77/54/85/567775485.db2.gz OJRQMCPTCDQGKT-UHFFFAOYSA-N -1 3 393.408 3.407 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000533553711 567775578 /nfs/dbraw/zinc/77/55/78/567775578.db2.gz YMSKSBZFDVPZGS-UHFFFAOYSA-N -1 3 379.503 3.402 20 0 GGADHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000533553113 567775683 /nfs/dbraw/zinc/77/56/83/567775683.db2.gz QZJXFHAVHRMSTA-HNNXBMFYSA-N -1 3 390.288 3.155 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790794 567775866 /nfs/dbraw/zinc/77/58/66/567775866.db2.gz PLISJRDCRSYZAU-ZJUUUORDSA-N -1 3 393.734 3.006 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1nc(-c2ccccc2)cs1 ZINC000443773047 567776121 /nfs/dbraw/zinc/77/61/21/567776121.db2.gz OXPAVZUHDOLPIH-SNVBAGLBSA-N -1 3 394.909 3.480 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000443789555 567776136 /nfs/dbraw/zinc/77/61/36/567776136.db2.gz YWBZEBMZNBQGNY-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1ccc(Br)c(Cl)c1 ZINC000443792321 567776205 /nfs/dbraw/zinc/77/62/05/567776205.db2.gz RLHQJNKRMHXBAL-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000533579627 567776426 /nfs/dbraw/zinc/77/64/26/567776426.db2.gz LNCCXEYIDBEZDB-ZIAGYGMSSA-N -1 3 384.299 3.061 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000533579625 567776584 /nfs/dbraw/zinc/77/65/84/567776584.db2.gz LNCCXEYIDBEZDB-KGLIPLIRSA-N -1 3 384.299 3.061 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)o1 ZINC000533633554 567778526 /nfs/dbraw/zinc/77/85/26/567778526.db2.gz OSGZCKFNRUCDAD-WDEREUQCSA-N -1 3 383.388 3.022 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)o1 ZINC000533633552 567778592 /nfs/dbraw/zinc/77/85/92/567778592.db2.gz OSGZCKFNRUCDAD-MNOVXSKESA-N -1 3 383.388 3.022 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@@H]3CCO[C@@H]3C)nc(=O)c2c1C ZINC000533625822 567778848 /nfs/dbraw/zinc/77/88/48/567778848.db2.gz ULEVHPKMVIJKKX-OUAUKWLOSA-N -1 3 382.507 3.441 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)o1 ZINC000533633553 567778909 /nfs/dbraw/zinc/77/89/09/567778909.db2.gz OSGZCKFNRUCDAD-QWRGUYRKSA-N -1 3 383.388 3.022 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000533635174 567779563 /nfs/dbraw/zinc/77/95/63/567779563.db2.gz NSMNCYGPIOAQMQ-CQSZACIVSA-N -1 3 375.903 3.026 20 0 GGADHM CCOc1cc(CCC[N-]S(=O)(=O)c2cncc(Cl)c2)ccc1OC ZINC000533639278 567779811 /nfs/dbraw/zinc/77/98/11/567779811.db2.gz YPYAGSLQLVYFKO-UHFFFAOYSA-N -1 3 384.885 3.053 20 0 GGADHM COCCOC[C@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000667881721 567780428 /nfs/dbraw/zinc/78/04/28/567780428.db2.gz ADAPBIATGVDHNG-VIFPVBQESA-N -1 3 397.107 3.058 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1c2ccccc2O[C@@H]1C ZINC000574479929 567781256 /nfs/dbraw/zinc/78/12/56/567781256.db2.gz AABQSDKMNNEOGF-QLJPJBMISA-N -1 3 398.278 3.258 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2cnc(C)s2)c1OC1CCCC1 ZINC000555410702 567782362 /nfs/dbraw/zinc/78/23/62/567782362.db2.gz HKXVEDAYBUDTNC-UHFFFAOYSA-N -1 3 382.507 3.260 20 0 GGADHM NC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000555421204 567782892 /nfs/dbraw/zinc/78/28/92/567782892.db2.gz GGSHNMKSQHVUNP-ZDUSSCGKSA-N -1 3 391.251 3.028 20 0 GGADHM C[C@](O)(CC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC1 ZINC000533705150 567783251 /nfs/dbraw/zinc/78/32/51/567783251.db2.gz OTXRLIVKTCAWQC-INIZCTEOSA-N -1 3 398.688 3.404 20 0 GGADHM O=c1cc(-c2noc(CCCCOc3ccc(Br)cc3)n2)nc[n-]1 ZINC000647417597 567783929 /nfs/dbraw/zinc/78/39/29/567783929.db2.gz ARTYPSJOUFUNJK-UHFFFAOYSA-N -1 3 391.225 3.396 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc2n[n-]nc2c1 ZINC000533716297 567784179 /nfs/dbraw/zinc/78/41/79/567784179.db2.gz GWHNOJMOGHUZAI-SECBINFHSA-N -1 3 377.217 3.221 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cc(F)cc(Cl)c1 ZINC000533709607 567784440 /nfs/dbraw/zinc/78/44/40/567784440.db2.gz GDSBAFSYKRWAIJ-UHFFFAOYSA-N -1 3 382.888 3.422 20 0 GGADHM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000555457183 567784991 /nfs/dbraw/zinc/78/49/91/567784991.db2.gz QTORAVYFHVIWET-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000574549785 567785429 /nfs/dbraw/zinc/78/54/29/567785429.db2.gz DZJCGTDSNKKNHW-UHFFFAOYSA-N -1 3 391.873 3.464 20 0 GGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000444029574 567785563 /nfs/dbraw/zinc/78/55/63/567785563.db2.gz IYMGCIWTHAOVQK-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM O=C([O-])C1(CNCc2cc(C(F)(F)F)ccc2Br)CCOCC1 ZINC000647465197 567786757 /nfs/dbraw/zinc/78/67/57/567786757.db2.gz YKVNKCANDDDLRD-UHFFFAOYSA-N -1 3 396.203 3.439 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000533800080 567787157 /nfs/dbraw/zinc/78/71/57/567787157.db2.gz KKOSQAUGKHRUIF-SECBINFHSA-N -1 3 387.832 3.455 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c1 ZINC000555530078 567787229 /nfs/dbraw/zinc/78/72/29/567787229.db2.gz JYSVDZBDYHXSGZ-UHFFFAOYSA-N -1 3 387.244 3.096 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(F)cc1 ZINC000444063275 567787685 /nfs/dbraw/zinc/78/76/85/567787685.db2.gz DWXFAATYUDHELD-AWEZNQCLSA-N -1 3 383.466 3.130 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C2(C)CCCC2)c(OC)cc1Br ZINC000444063352 567787790 /nfs/dbraw/zinc/78/77/90/567787790.db2.gz QGTCVSGEJYECCE-UHFFFAOYSA-N -1 3 378.288 3.077 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CCC(C)(C)C)c(OC)cc1Br ZINC000444058012 567788106 /nfs/dbraw/zinc/78/81/06/567788106.db2.gz MWHNQFDIYYNZAT-UHFFFAOYSA-N -1 3 380.304 3.181 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c(OC)cc1Br ZINC000444059893 567788196 /nfs/dbraw/zinc/78/81/96/567788196.db2.gz SYZMMODLNWTOSM-GHMZBOCLSA-N -1 3 392.315 3.323 20 0 GGADHM COc1cc2c(cc1C[N-]S(=O)(=O)c1ccccc1SC)O[C@H](C)C2 ZINC000444068020 567788693 /nfs/dbraw/zinc/78/86/93/567788693.db2.gz AYYNVMJHUKPWSW-GFCCVEGCSA-N -1 3 379.503 3.219 20 0 GGADHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000444070630 567788895 /nfs/dbraw/zinc/78/88/95/567788895.db2.gz DISUXKOLKSFDAW-OAHLLOKOSA-N -1 3 379.503 3.381 20 0 GGADHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444069599 567789127 /nfs/dbraw/zinc/78/91/27/567789127.db2.gz IYDONMMPAIVVHZ-VIFPVBQESA-N -1 3 385.379 3.243 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cs1 ZINC000444074361 567789842 /nfs/dbraw/zinc/78/98/42/567789842.db2.gz HVDMUUXMXYPZOU-UHFFFAOYSA-N -1 3 382.404 3.384 20 0 GGADHM COC(=O)CN(C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000533832437 567789923 /nfs/dbraw/zinc/78/99/23/567789923.db2.gz DUQATVNIZZMKOC-UHFFFAOYSA-N -1 3 377.853 3.322 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CC12CCOCC2)c1cccc(Cl)c1Br ZINC000555582702 567790041 /nfs/dbraw/zinc/79/00/41/567790041.db2.gz OFAWXPAFZRQXBW-JTQLQIEISA-N -1 3 394.718 3.198 20 0 GGADHM COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000444073427 567790274 /nfs/dbraw/zinc/79/02/74/567790274.db2.gz GSIJLSKDPMOCBA-UHFFFAOYSA-N -1 3 381.519 3.221 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccccc2Br)s1 ZINC000533853977 567790614 /nfs/dbraw/zinc/79/06/14/567790614.db2.gz UJVHIXGXHDXUPI-UHFFFAOYSA-N -1 3 375.313 3.428 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1nnc2n1CCCCC2 ZINC000444084370 567791503 /nfs/dbraw/zinc/79/15/03/567791503.db2.gz MOISYIFCOVGCBD-CYBMUJFWSA-N -1 3 380.539 3.156 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1C ZINC000444084428 567791539 /nfs/dbraw/zinc/79/15/39/567791539.db2.gz MZFJWAYDMJVPEF-UHFFFAOYSA-N -1 3 382.404 3.439 20 0 GGADHM Cn1cccc1S(=O)(=O)[N-]c1ccc(SCCN2CCCCC2)cc1 ZINC000574691826 567792751 /nfs/dbraw/zinc/79/27/51/567792751.db2.gz SUORBLSPFBKRQU-UHFFFAOYSA-N -1 3 379.551 3.404 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](C)Sc1ccccc1 ZINC000533914425 567792927 /nfs/dbraw/zinc/79/29/27/567792927.db2.gz KHBJCLPTSRBRFW-GFCCVEGCSA-N -1 3 383.466 3.071 20 0 GGADHM CC(C)Cn1nccc1CN[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000647646852 567794833 /nfs/dbraw/zinc/79/48/33/567794833.db2.gz QNRMCIJAELOMJI-MRXNPFEDSA-N -1 3 380.286 3.087 20 0 GGADHM CC(C)Cn1nccc1CN[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC000647647019 567795792 /nfs/dbraw/zinc/79/57/92/567795792.db2.gz ZQBXNVFNVDXQNU-INIZCTEOSA-N -1 3 380.286 3.087 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)cc(Br)c1)c1ccco1 ZINC000444189745 567796238 /nfs/dbraw/zinc/79/62/38/567796238.db2.gz FWRPCEJQGFNBKI-AWEZNQCLSA-N -1 3 388.283 3.407 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1C ZINC000444200289 567796349 /nfs/dbraw/zinc/79/63/49/567796349.db2.gz XCKABUYAJDSJAA-UHFFFAOYSA-N -1 3 396.822 3.089 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(C)o1 ZINC000534005108 567796987 /nfs/dbraw/zinc/79/69/87/567796987.db2.gz DRSNVCVYPUSESI-UHFFFAOYSA-N -1 3 382.791 3.485 20 0 GGADHM COc1cnc([N-]C(=O)c2cnc(-c3ncccn3)s2)c(Br)c1 ZINC000574793303 567797001 /nfs/dbraw/zinc/79/70/01/567797001.db2.gz IDRMBSWBMVDIQQ-UHFFFAOYSA-N -1 3 392.238 3.019 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000668111929 567797137 /nfs/dbraw/zinc/79/71/37/567797137.db2.gz WFMLHPSLVYNIRS-WMLDXEAASA-N -1 3 378.881 3.062 20 0 GGADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1cc(F)cc(Cl)c1 ZINC000444227373 567798348 /nfs/dbraw/zinc/79/83/48/567798348.db2.gz VHANLKOJFPYWLG-UHFFFAOYSA-N -1 3 388.814 3.032 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)c(F)cc1Br ZINC000668149678 567798385 /nfs/dbraw/zinc/79/83/85/567798385.db2.gz WUHSRNZGTFKYFZ-LLVKDONJSA-N -1 3 387.274 3.374 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C)C2)c(Br)c1 ZINC000444216521 567798504 /nfs/dbraw/zinc/79/85/04/567798504.db2.gz CMLQBKHHYGMMPN-JQWIXIFHSA-N -1 3 390.299 3.093 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F ZINC000444225061 567798511 /nfs/dbraw/zinc/79/85/11/567798511.db2.gz PEPINXACWYVCPH-RNCFNFMXSA-N -1 3 389.798 3.241 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CC1 ZINC000574798307 567798583 /nfs/dbraw/zinc/79/85/83/567798583.db2.gz HGDXKAKQRTUJHX-ZDUSSCGKSA-N -1 3 396.734 3.178 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)cc2F)c1C ZINC000574811661 567798728 /nfs/dbraw/zinc/79/87/28/567798728.db2.gz PTTHRRDCALZJGU-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000534084577 567799344 /nfs/dbraw/zinc/79/93/44/567799344.db2.gz VVDIBFZYJWDXSC-SECBINFHSA-N -1 3 387.807 3.226 20 0 GGADHM CC(C)[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000574830858 567799691 /nfs/dbraw/zinc/79/96/91/567799691.db2.gz SOORKLUKYZBSHO-LBPRGKRZSA-N -1 3 375.281 3.359 20 0 GGADHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000534084579 567799707 /nfs/dbraw/zinc/79/97/07/567799707.db2.gz VVDIBFZYJWDXSC-VIFPVBQESA-N -1 3 387.807 3.226 20 0 GGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000574847682 567800609 /nfs/dbraw/zinc/80/06/09/567800609.db2.gz XGZJKJSLCWIQAR-ZDUSSCGKSA-N -1 3 381.416 3.048 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891197 567802774 /nfs/dbraw/zinc/80/27/74/567802774.db2.gz MJYHTRAQVWDADY-JGVFFNPUSA-N -1 3 382.433 3.438 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Br)s2)c(=O)[n-]1 ZINC000444359800 567802862 /nfs/dbraw/zinc/80/28/62/567802862.db2.gz CGOWOUVHZZMQOV-VIFPVBQESA-N -1 3 384.299 3.433 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C)c(C)n1 ZINC000668250664 567803926 /nfs/dbraw/zinc/80/39/26/567803926.db2.gz OXKNKKCKSCQNKR-UHFFFAOYSA-N -1 3 399.310 3.338 20 0 GGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000534237831 567804357 /nfs/dbraw/zinc/80/43/57/567804357.db2.gz PSUPBHSVTUZYIB-UHFFFAOYSA-N -1 3 379.331 3.060 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(CN(C)C)c(F)c2)c(Cl)cc1F ZINC000534237547 567804400 /nfs/dbraw/zinc/80/44/00/567804400.db2.gz VHFTUYDOOBHRJY-UHFFFAOYSA-N -1 3 388.867 3.467 20 0 GGADHM O=S(=O)([N-]CCO[C@@H]1CCCCO1)c1cc2cc(Cl)ccc2s1 ZINC000647885193 567805006 /nfs/dbraw/zinc/80/50/06/567805006.db2.gz JPJUXFJAZYLMPE-CQSZACIVSA-N -1 3 375.899 3.376 20 0 GGADHM O=S(=O)([N-]CCO[C@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000647885028 567805326 /nfs/dbraw/zinc/80/53/26/567805326.db2.gz AAEGROBRPLWKKU-ZDUSSCGKSA-N -1 3 387.807 3.180 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1cccs1 ZINC000647891212 567805332 /nfs/dbraw/zinc/80/53/32/567805332.db2.gz RGBPFKMDAQWXAA-CQSZACIVSA-N -1 3 393.559 3.453 20 0 GGADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1n[nH]cc1Br ZINC000574950106 567805382 /nfs/dbraw/zinc/80/53/82/567805382.db2.gz PQEKDAWHBSNHSM-UHFFFAOYSA-N -1 3 384.177 3.133 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1csnc1-c1ccccc1 ZINC000647904986 567805695 /nfs/dbraw/zinc/80/56/95/567805695.db2.gz ZQUIRQKTUIDEBD-UHFFFAOYSA-N -1 3 380.535 3.421 20 0 GGADHM C[C@H](O)CN(Cc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000668298516 567805918 /nfs/dbraw/zinc/80/59/18/567805918.db2.gz BASAKAUTAHHGPT-QMMMGPOBSA-N -1 3 379.092 3.262 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)CCC1=O ZINC000534276026 567806119 /nfs/dbraw/zinc/80/61/19/567806119.db2.gz AJOAADNVFWNJFR-BDAKNGLRSA-N -1 3 395.232 3.317 20 0 GGADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000647901278 567806149 /nfs/dbraw/zinc/80/61/49/567806149.db2.gz ZSJXFENMLAXYHY-AWEZNQCLSA-N -1 3 375.519 3.448 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000647901279 567806161 /nfs/dbraw/zinc/80/61/61/567806161.db2.gz ZSJXFENMLAXYHY-CQSZACIVSA-N -1 3 375.519 3.448 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000534301468 567806400 /nfs/dbraw/zinc/80/64/00/567806400.db2.gz QMWORDPJQLYRAG-JTQLQIEISA-N -1 3 394.269 3.475 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000534301468 567806404 /nfs/dbraw/zinc/80/64/04/567806404.db2.gz QMWORDPJQLYRAG-JTQLQIEISA-N -1 3 394.269 3.475 20 0 GGADHM CCOC(=O)c1cnc(C)c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000534309785 567807738 /nfs/dbraw/zinc/80/77/38/567807738.db2.gz MAGFUEMBRQYRRY-UHFFFAOYSA-N -1 3 379.210 3.287 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(Cl)cc2)c(F)c1 ZINC000575022421 567809130 /nfs/dbraw/zinc/80/91/30/567809130.db2.gz VLACZNMBYAGNCG-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1n[nH]cc1Br ZINC000599211867 567810103 /nfs/dbraw/zinc/81/01/03/567810103.db2.gz FHWFSOZMHPWNPT-UHFFFAOYSA-N -1 3 399.097 3.099 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccco1 ZINC000534408902 567810537 /nfs/dbraw/zinc/81/05/37/567810537.db2.gz DSYKQRBCCXBZFF-LBPRGKRZSA-N -1 3 383.853 3.117 20 0 GGADHM COc1ccc(COCCC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000534424098 567811379 /nfs/dbraw/zinc/81/13/79/567811379.db2.gz QOKPEJJWXQQICG-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM C[C@H](OCC1CC1)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000599268879 567812030 /nfs/dbraw/zinc/81/20/30/567812030.db2.gz JAASGCDEIZUVJB-QMMMGPOBSA-N -1 3 383.221 3.127 20 0 GGADHM CC(C)CSCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000534464033 567812948 /nfs/dbraw/zinc/81/29/48/567812948.db2.gz SSUYIUNJXXNIGR-UHFFFAOYSA-N -1 3 383.311 3.410 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2cc3c(c(Cl)c2)OCO3)[n-]1 ZINC000534499952 567813345 /nfs/dbraw/zinc/81/33/45/567813345.db2.gz JRLYXZBXTNOOJL-RUZDIDTESA-N -1 3 394.758 3.032 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cc3c(c(Cl)c2)OCO3)[n-]1 ZINC000534499953 567813384 /nfs/dbraw/zinc/81/33/84/567813384.db2.gz JRLYXZBXTNOOJL-VWLOTQADSA-N -1 3 394.758 3.032 20 0 GGADHM COC(=O)c1ccccc1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000534662088 567815669 /nfs/dbraw/zinc/81/56/69/567815669.db2.gz FNGWBGSVWNEAFR-UHFFFAOYSA-N -1 3 392.249 3.190 20 0 GGADHM O=S(=O)([N-]CCOc1cccc(C(F)(F)F)n1)c1ccc(F)cc1Cl ZINC000534652193 567815686 /nfs/dbraw/zinc/81/56/86/567815686.db2.gz WIMIBFBOSCPGSF-UHFFFAOYSA-N -1 3 398.765 3.250 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Br)cc2cccnc21 ZINC000534648980 567815804 /nfs/dbraw/zinc/81/58/04/567815804.db2.gz NOFPGROCDBOLDQ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Br)cc2cccnc21 ZINC000534648980 567815805 /nfs/dbraw/zinc/81/58/05/567815805.db2.gz NOFPGROCDBOLDQ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000648228379 567815931 /nfs/dbraw/zinc/81/59/31/567815931.db2.gz QLGKYFNUHHCNGR-DZGCQCFKSA-N -1 3 384.567 3.090 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000048230328 570223737 /nfs/dbraw/zinc/22/37/37/570223737.db2.gz LCHXPXKJXTXLMQ-ZIAGYGMSSA-N -1 3 394.468 3.249 20 0 GGADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC([C@@H](O)c3ccccc3)CC1)c2=O ZINC000048252761 570226858 /nfs/dbraw/zinc/22/68/58/570226858.db2.gz GKJGHPSTGKOLFH-NRFANRHFSA-N -1 3 392.455 3.123 20 0 GGADHM C[C@H](SCc1ccccc1)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000053284712 570253964 /nfs/dbraw/zinc/25/39/64/570253964.db2.gz RGQOVLCTPRFPPM-RBZFPXEDSA-N -1 3 383.473 3.002 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c1C ZINC000010762083 570292703 /nfs/dbraw/zinc/29/27/03/570292703.db2.gz PPVPSAURONDPHS-UHFFFAOYSA-N -1 3 387.549 3.473 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000021923344 570299245 /nfs/dbraw/zinc/29/92/45/570299245.db2.gz FUGUOSOGTJHVCO-UHFFFAOYSA-N -1 3 392.868 3.129 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ncccc3O)cc2)cc1C ZINC000022265347 570311602 /nfs/dbraw/zinc/31/16/02/570311602.db2.gz HVPPTZRAHXWEAZ-UHFFFAOYSA-N -1 3 397.456 3.457 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000023078722 570343071 /nfs/dbraw/zinc/34/30/71/570343071.db2.gz BISYMDAPBHVCGT-QAPCUYQASA-N -1 3 392.496 3.020 20 0 GGADHM O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000024746043 570391047 /nfs/dbraw/zinc/39/10/47/570391047.db2.gz CXRVYLZQOYRZHG-CQSZACIVSA-N -1 3 394.880 3.050 20 0 GGADHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccc(C)cc3C)cc(C3CC3)nc21 ZINC000024749127 570391238 /nfs/dbraw/zinc/39/12/38/570391238.db2.gz IRMMJNLYHPQOHU-UHFFFAOYSA-N -1 3 392.459 3.241 20 0 GGADHM C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000024767982 570392528 /nfs/dbraw/zinc/39/25/28/570392528.db2.gz HGKFTTKBAQAZTJ-AWEZNQCLSA-N -1 3 386.423 3.176 20 0 GGADHM O=C(COC(=O)c1ccc([O-])cc1O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000005148439 570427748 /nfs/dbraw/zinc/42/77/48/570427748.db2.gz HMRCINAEVGQOTR-UHFFFAOYSA-N -1 3 399.399 3.325 20 0 GGADHM O=C(OCC(=O)N(Cc1ccccc1)c1ccccc1)c1ccc([O-])cc1O ZINC000011872182 570442291 /nfs/dbraw/zinc/44/22/91/570442291.db2.gz WDXKQDFVMVLJSZ-UHFFFAOYSA-N -1 3 377.396 3.488 20 0 GGADHM Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([O-])c1 ZINC000006509897 570461936 /nfs/dbraw/zinc/46/19/36/570461936.db2.gz RTGDKRSUECVKCL-UHFFFAOYSA-N -1 3 388.489 3.056 20 0 GGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)Nc3ccc4c(c3)CCC4)nc2n1 ZINC000006549393 570472579 /nfs/dbraw/zinc/47/25/79/570472579.db2.gz LQCRTBOCVZCWQK-UHFFFAOYSA-N -1 3 380.473 3.154 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000072311925 570560658 /nfs/dbraw/zinc/56/06/58/570560658.db2.gz MTTCHXNVDSOBMM-UHFFFAOYSA-N -1 3 381.407 3.144 20 0 GGADHM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000064865642 570570711 /nfs/dbraw/zinc/57/07/11/570570711.db2.gz UPZLCVJTVQBIHZ-WBVHZDCISA-N -1 3 392.546 3.395 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000036392878 570676222 /nfs/dbraw/zinc/67/62/22/570676222.db2.gz SUTKORZHPCCRBR-MRXNPFEDSA-N -1 3 397.834 3.420 20 0 GGADHM CCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000012630930 570693369 /nfs/dbraw/zinc/69/33/69/570693369.db2.gz BTPLFUOTRXHWDA-UHFFFAOYSA-N -1 3 376.478 3.286 20 0 GGADHM CC(C)N(C)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1F ZINC000057996736 570706262 /nfs/dbraw/zinc/70/62/62/570706262.db2.gz UUGLEOIQMFMYKK-UHFFFAOYSA-N -1 3 379.457 3.294 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000058173374 570715465 /nfs/dbraw/zinc/71/54/65/570715465.db2.gz OALHOFLNRFIFOZ-GOSISDBHSA-N -1 3 376.453 3.045 20 0 GGADHM CC(C)COc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000058306545 570725904 /nfs/dbraw/zinc/72/59/04/570725904.db2.gz ZRFJYPUUDUMQKQ-UHFFFAOYSA-N -1 3 376.840 3.449 20 0 GGADHM CC(C)c1noc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000032788794 570810457 /nfs/dbraw/zinc/81/04/57/570810457.db2.gz ZZLVNYSBGGQTIU-LLVKDONJSA-N -1 3 382.449 3.469 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCCCSc1ccccc1 ZINC000032794820 570814984 /nfs/dbraw/zinc/81/49/84/570814984.db2.gz DPRVXMIWNIMRGE-UHFFFAOYSA-N -1 3 388.518 3.308 20 0 GGADHM Cc1nc2ccccc2nc1SCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012525926 570830738 /nfs/dbraw/zinc/83/07/38/570830738.db2.gz VMSXCIOJJWVOBR-UHFFFAOYSA-N -1 3 387.486 3.285 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000012525908 570830870 /nfs/dbraw/zinc/83/08/70/570830870.db2.gz WZQZIWZJQNCYKL-QGZVFWFLSA-N -1 3 388.489 3.013 20 0 GGADHM O=C(CSc1nc2n[nH]cc2c(=O)[n-]1)Nc1ccccc1-c1ccccc1 ZINC000012535683 570835439 /nfs/dbraw/zinc/83/54/39/570835439.db2.gz FEWRGSQKFXKHHG-UHFFFAOYSA-N -1 3 377.429 3.044 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)COC(=O)c2cc3ccccc3s2)cc1 ZINC000012552219 570855430 /nfs/dbraw/zinc/85/54/30/570855430.db2.gz LYVNADCOSQXWOD-UHFFFAOYSA-N -1 3 389.454 3.313 20 0 GGADHM CSCC[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000170612794 570870454 /nfs/dbraw/zinc/87/04/54/570870454.db2.gz MGNNDDLVTVUHRQ-HNNXBMFYSA-N -1 3 387.427 3.246 20 0 GGADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000012605588 570888305 /nfs/dbraw/zinc/88/83/05/570888305.db2.gz MWCARQYQTUTIHS-UHFFFAOYSA-N -1 3 385.489 3.281 20 0 GGADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012736181 570978648 /nfs/dbraw/zinc/97/86/48/570978648.db2.gz NTCILYLTUTZQTI-UHFFFAOYSA-N -1 3 390.896 3.489 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000083996776 570989969 /nfs/dbraw/zinc/98/99/69/570989969.db2.gz UUTSDTVIWZBGLM-MRXNPFEDSA-N -1 3 379.382 3.312 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OCC(=O)[N-]c3cc(C(C)(C)C)no3)n[nH]2)cc1 ZINC000011494510 571049091 /nfs/dbraw/zinc/04/90/91/571049091.db2.gz XXCDIDBLQYLBEK-UHFFFAOYSA-N -1 3 382.420 3.466 20 0 GGADHM CCC[C@H](CC1CCCCC1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736423127 598825671 /nfs/dbraw/zinc/82/56/71/598825671.db2.gz RWJFHLFDHSEQEA-MRXNPFEDSA-N -1 3 385.516 3.177 20 0 GGADHM CCC[C@H](CC1CCCCC1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736423127 598825672 /nfs/dbraw/zinc/82/56/72/598825672.db2.gz RWJFHLFDHSEQEA-MRXNPFEDSA-N -1 3 385.516 3.177 20 0 GGADHM C[C@]1(c2ccccc2)CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736228668 598826787 /nfs/dbraw/zinc/82/67/87/598826787.db2.gz IMIAVDZXCGSTAE-QFIPXVFZSA-N -1 3 375.476 3.380 20 0 GGADHM C[C@]1(c2ccccc2)CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736228668 598826789 /nfs/dbraw/zinc/82/67/89/598826789.db2.gz IMIAVDZXCGSTAE-QFIPXVFZSA-N -1 3 375.476 3.380 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)c1ccc2ccccc2c1 ZINC000737524549 598826869 /nfs/dbraw/zinc/82/68/69/598826869.db2.gz MZELXKXFEONNJT-UHFFFAOYSA-N -1 3 395.426 3.470 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)c1ccc2ccccc2c1 ZINC000737524549 598826871 /nfs/dbraw/zinc/82/68/71/598826871.db2.gz MZELXKXFEONNJT-UHFFFAOYSA-N -1 3 395.426 3.470 20 0 GGADHM Cc1sc(NC(=O)c2cccc(OCC(F)(F)F)n2)c(-c2nnn[n-]2)c1C ZINC000737565654 598830144 /nfs/dbraw/zinc/83/01/44/598830144.db2.gz VNRIOPWBOPYGQL-UHFFFAOYSA-N -1 3 398.370 3.133 20 0 GGADHM Cc1sc(NC(=O)c2cccc(OCC(F)(F)F)n2)c(-c2nn[n-]n2)c1C ZINC000737565654 598830146 /nfs/dbraw/zinc/83/01/46/598830146.db2.gz VNRIOPWBOPYGQL-UHFFFAOYSA-N -1 3 398.370 3.133 20 0 GGADHM Cc1csc(-c2cccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737449389 598830159 /nfs/dbraw/zinc/83/01/59/598830159.db2.gz XIPVQFKOYQVZJX-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM Cc1csc(-c2cccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737449389 598830160 /nfs/dbraw/zinc/83/01/60/598830160.db2.gz XIPVQFKOYQVZJX-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736819591 598830886 /nfs/dbraw/zinc/83/08/86/598830886.db2.gz FBBFCAPJTNCBHQ-UHFFFAOYSA-N -1 3 380.839 3.203 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736819591 598830888 /nfs/dbraw/zinc/83/08/88/598830888.db2.gz FBBFCAPJTNCBHQ-UHFFFAOYSA-N -1 3 380.839 3.203 20 0 GGADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cn1 ZINC000737313720 598834421 /nfs/dbraw/zinc/83/44/21/598834421.db2.gz ZZDGZYSSSVJTFC-UHFFFAOYSA-N -1 3 376.445 3.229 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC2(CC2)c2ccccc21 ZINC000735733284 598834829 /nfs/dbraw/zinc/83/48/29/598834829.db2.gz HEPGRBKSSVAMMQ-IBGZPJMESA-N -1 3 389.459 3.349 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC2(CC2)c2ccccc21 ZINC000735733284 598834830 /nfs/dbraw/zinc/83/48/30/598834830.db2.gz HEPGRBKSSVAMMQ-IBGZPJMESA-N -1 3 389.459 3.349 20 0 GGADHM O=C(CCc1cccnc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737860705 598835094 /nfs/dbraw/zinc/83/50/94/598835094.db2.gz NIQVFPIBCMAVMY-UHFFFAOYSA-N -1 3 390.472 3.239 20 0 GGADHM CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736394721 598838655 /nfs/dbraw/zinc/83/86/55/598838655.db2.gz DNTAWKIZFODPSM-RHSMWYFYSA-N -1 3 380.452 3.029 20 0 GGADHM CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736394721 598838656 /nfs/dbraw/zinc/83/86/56/598838656.db2.gz DNTAWKIZFODPSM-RHSMWYFYSA-N -1 3 380.452 3.029 20 0 GGADHM Cc1nc(SCC(=O)NC2C[C@@H](C)C[C@H](C)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737481970 598838719 /nfs/dbraw/zinc/83/87/19/598838719.db2.gz DCSWVGDVRKWHOB-QWRGUYRKSA-N -1 3 388.541 3.220 20 0 GGADHM Cc1nc(SCC(=O)NC2C[C@@H](C)C[C@H](C)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737481970 598838720 /nfs/dbraw/zinc/83/87/20/598838720.db2.gz DCSWVGDVRKWHOB-QWRGUYRKSA-N -1 3 388.541 3.220 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C=Cc2ccccc2)c1C ZINC000737503224 598840252 /nfs/dbraw/zinc/84/02/52/598840252.db2.gz MVADLDFWHZKKBY-MDWZMJQESA-N -1 3 385.431 3.321 20 0 GGADHM O=C(OCc1ccc(OCc2cccnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738236357 598843509 /nfs/dbraw/zinc/84/35/09/598843509.db2.gz VUYZFGWCAAEZJK-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(OCc1ccc(OCc2cccnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738236357 598843511 /nfs/dbraw/zinc/84/35/11/598843511.db2.gz VUYZFGWCAAEZJK-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM CC(C)c1cnc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000735931998 598844211 /nfs/dbraw/zinc/84/42/11/598844211.db2.gz IZQIZIDQVMXDSF-UHFFFAOYSA-N -1 3 385.424 3.271 20 0 GGADHM CC(C)c1cnc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000735931998 598844212 /nfs/dbraw/zinc/84/42/12/598844212.db2.gz IZQIZIDQVMXDSF-UHFFFAOYSA-N -1 3 385.424 3.271 20 0 GGADHM O=C(OCc1ccc(OCc2cccnc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738234924 598844544 /nfs/dbraw/zinc/84/45/44/598844544.db2.gz ICENFZPEHANKNF-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1cccnc1 ZINC000736157811 598844817 /nfs/dbraw/zinc/84/48/17/598844817.db2.gz NBSLXJWNZMKILS-CYBMUJFWSA-N -1 3 388.387 3.367 20 0 GGADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1cccnc1 ZINC000736157811 598844818 /nfs/dbraw/zinc/84/48/18/598844818.db2.gz NBSLXJWNZMKILS-CYBMUJFWSA-N -1 3 388.387 3.367 20 0 GGADHM CCN(C(=O)CCCc1nc(C2CC2)no1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504199 598846383 /nfs/dbraw/zinc/84/63/83/598846383.db2.gz BJMCARRTJKRKQQ-CYBMUJFWSA-N -1 3 395.467 3.060 20 0 GGADHM CCN(C(=O)CCCc1nc(C2CC2)no1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504199 598846384 /nfs/dbraw/zinc/84/63/84/598846384.db2.gz BJMCARRTJKRKQQ-CYBMUJFWSA-N -1 3 395.467 3.060 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736172714 598847905 /nfs/dbraw/zinc/84/79/05/598847905.db2.gz BXJAGTIKBZITPH-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736172714 598847906 /nfs/dbraw/zinc/84/79/06/598847906.db2.gz BXJAGTIKBZITPH-JTQLQIEISA-N -1 3 376.775 3.170 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736173441 598847940 /nfs/dbraw/zinc/84/79/40/598847940.db2.gz HNCOBDAKCXBBSL-SECBINFHSA-N -1 3 394.765 3.309 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736173441 598847942 /nfs/dbraw/zinc/84/79/42/598847942.db2.gz HNCOBDAKCXBBSL-SECBINFHSA-N -1 3 394.765 3.309 20 0 GGADHM CCC[C@@H](CC1CCCC1)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736421548 598848973 /nfs/dbraw/zinc/84/89/73/598848973.db2.gz BQWPINNGCBZEBG-SFHVURJKSA-N -1 3 399.495 3.023 20 0 GGADHM CCC[C@@H](CC1CCCC1)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736421548 598848974 /nfs/dbraw/zinc/84/89/74/598848974.db2.gz BQWPINNGCBZEBG-SFHVURJKSA-N -1 3 399.495 3.023 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)Cc1ccc(Cl)cc1 ZINC000737526254 598850122 /nfs/dbraw/zinc/85/01/22/598850122.db2.gz ZIRRLMNUFULPGT-UHFFFAOYSA-N -1 3 394.870 3.177 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)Cc1ccc(Cl)cc1 ZINC000737526254 598850123 /nfs/dbraw/zinc/85/01/23/598850123.db2.gz ZIRRLMNUFULPGT-UHFFFAOYSA-N -1 3 394.870 3.177 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000736604186 598850165 /nfs/dbraw/zinc/85/01/65/598850165.db2.gz UECRHBSAXWTTRV-UHFFFAOYSA-N -1 3 397.395 3.088 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000736604186 598850167 /nfs/dbraw/zinc/85/01/67/598850167.db2.gz UECRHBSAXWTTRV-UHFFFAOYSA-N -1 3 397.395 3.088 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCC[C@@H]1c1cccs1 ZINC000737526091 598850261 /nfs/dbraw/zinc/85/02/61/598850261.db2.gz VVKYGBTZIXOGGI-MRXNPFEDSA-N -1 3 392.492 3.290 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCC[C@@H]1c1cccs1 ZINC000737526091 598850263 /nfs/dbraw/zinc/85/02/63/598850263.db2.gz VVKYGBTZIXOGGI-MRXNPFEDSA-N -1 3 392.492 3.290 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@H](C)C1 ZINC000736243521 598852104 /nfs/dbraw/zinc/85/21/04/598852104.db2.gz VWZJZTRFJLNJNC-FOGDFJRCSA-N -1 3 380.399 3.414 20 0 GGADHM C[C@@H]1CC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@H](C)C1 ZINC000736243521 598852106 /nfs/dbraw/zinc/85/21/06/598852106.db2.gz VWZJZTRFJLNJNC-FOGDFJRCSA-N -1 3 380.399 3.414 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000738161587 598853604 /nfs/dbraw/zinc/85/36/04/598853604.db2.gz GRQRVLYVMMDLDB-HNNXBMFYSA-N -1 3 382.399 3.081 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000738161587 598853606 /nfs/dbraw/zinc/85/36/06/598853606.db2.gz GRQRVLYVMMDLDB-HNNXBMFYSA-N -1 3 382.399 3.081 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccc(C(C)C)cc1 ZINC000736902002 598858221 /nfs/dbraw/zinc/85/82/21/598858221.db2.gz QFYBEECVBOVTHH-IBGZPJMESA-N -1 3 379.464 3.336 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccc(C(C)C)cc1 ZINC000736902002 598858222 /nfs/dbraw/zinc/85/82/22/598858222.db2.gz QFYBEECVBOVTHH-IBGZPJMESA-N -1 3 379.464 3.336 20 0 GGADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736123325 598865665 /nfs/dbraw/zinc/86/56/65/598865665.db2.gz BSNWIEQABVCIHU-ZDUSSCGKSA-N -1 3 381.436 3.347 20 0 GGADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736123325 598865667 /nfs/dbraw/zinc/86/56/67/598865667.db2.gz BSNWIEQABVCIHU-ZDUSSCGKSA-N -1 3 381.436 3.347 20 0 GGADHM CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736326236 598867178 /nfs/dbraw/zinc/86/71/78/598867178.db2.gz HMJBWDLXWFDIQB-NSHDSACASA-N -1 3 376.413 3.287 20 0 GGADHM CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736326236 598867180 /nfs/dbraw/zinc/86/71/80/598867180.db2.gz HMJBWDLXWFDIQB-NSHDSACASA-N -1 3 376.413 3.287 20 0 GGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737316837 598867880 /nfs/dbraw/zinc/86/78/80/598867880.db2.gz GWUYWHKSLOXDCI-UHFFFAOYSA-N -1 3 376.413 3.205 20 0 GGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737316837 598867881 /nfs/dbraw/zinc/86/78/81/598867881.db2.gz GWUYWHKSLOXDCI-UHFFFAOYSA-N -1 3 376.413 3.205 20 0 GGADHM CCOC[C@H]1CCCN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC000736610191 598869879 /nfs/dbraw/zinc/86/98/79/598869879.db2.gz IDFLISNAFXRODW-HNNXBMFYSA-N -1 3 391.479 3.229 20 0 GGADHM CCOC[C@H]1CCCN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC000736610191 598869882 /nfs/dbraw/zinc/86/98/82/598869882.db2.gz IDFLISNAFXRODW-HNNXBMFYSA-N -1 3 391.479 3.229 20 0 GGADHM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000735798488 598870170 /nfs/dbraw/zinc/87/01/70/598870170.db2.gz FCZRBLQMLPNXEP-CYBMUJFWSA-N -1 3 395.485 3.133 20 0 GGADHM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000735798488 598870171 /nfs/dbraw/zinc/87/01/71/598870171.db2.gz FCZRBLQMLPNXEP-CYBMUJFWSA-N -1 3 395.485 3.133 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735652922 598876385 /nfs/dbraw/zinc/87/63/85/598876385.db2.gz YKAUVSJOAUBJPH-UHFFFAOYSA-N -1 3 380.452 3.365 20 0 GGADHM CC(C)(C)c1cccc(OCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735652922 598876386 /nfs/dbraw/zinc/87/63/86/598876386.db2.gz YKAUVSJOAUBJPH-UHFFFAOYSA-N -1 3 380.452 3.365 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Oc1ccccc1 ZINC000735905260 598879125 /nfs/dbraw/zinc/87/91/25/598879125.db2.gz HZIAPBYQNKUGNX-AWEZNQCLSA-N -1 3 396.451 3.243 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Oc1ccccc1 ZINC000735905260 598879126 /nfs/dbraw/zinc/87/91/26/598879126.db2.gz HZIAPBYQNKUGNX-AWEZNQCLSA-N -1 3 396.451 3.243 20 0 GGADHM COC(=O)[C@H](NCC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898047 598881809 /nfs/dbraw/zinc/88/18/09/598881809.db2.gz SRLGBKNCEDCMHY-QGZVFWFLSA-N -1 3 399.882 3.302 20 0 GGADHM COC(=O)[C@H](NCC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898047 598881810 /nfs/dbraw/zinc/88/18/10/598881810.db2.gz SRLGBKNCEDCMHY-QGZVFWFLSA-N -1 3 399.882 3.302 20 0 GGADHM CC[C@H](C)Oc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736323527 598882059 /nfs/dbraw/zinc/88/20/59/598882059.db2.gz AWKGRDGQOUZPNV-UGSOOPFHSA-N -1 3 381.436 3.370 20 0 GGADHM CC[C@H](C)Oc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736323527 598882060 /nfs/dbraw/zinc/88/20/60/598882060.db2.gz AWKGRDGQOUZPNV-UGSOOPFHSA-N -1 3 381.436 3.370 20 0 GGADHM COc1ccccc1C(C)=CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737143581 598883676 /nfs/dbraw/zinc/88/36/76/598883676.db2.gz WLAPJIPBAWPYCH-ATGUSINASA-N -1 3 394.431 3.289 20 0 GGADHM COc1ccccc1C(C)=CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737143581 598883677 /nfs/dbraw/zinc/88/36/77/598883677.db2.gz WLAPJIPBAWPYCH-ATGUSINASA-N -1 3 394.431 3.289 20 0 GGADHM COC(=O)[C@@H](NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897537 598884445 /nfs/dbraw/zinc/88/44/45/598884445.db2.gz RNHYWEPEGHCDBJ-KRWDZBQOSA-N -1 3 397.866 3.056 20 0 GGADHM COC(=O)[C@@H](NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897537 598884447 /nfs/dbraw/zinc/88/44/47/598884447.db2.gz RNHYWEPEGHCDBJ-KRWDZBQOSA-N -1 3 397.866 3.056 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2cccc(F)c2)CCC1 ZINC000736038995 598886216 /nfs/dbraw/zinc/88/62/16/598886216.db2.gz YMAOGAOVBXYJTJ-CQSZACIVSA-N -1 3 396.422 3.438 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2cccc(F)c2)CCC1 ZINC000736038995 598886217 /nfs/dbraw/zinc/88/62/17/598886217.db2.gz YMAOGAOVBXYJTJ-CQSZACIVSA-N -1 3 396.422 3.438 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCOc1ccccc1 ZINC000736037671 598887159 /nfs/dbraw/zinc/88/71/59/598887159.db2.gz NNGDVAKLAMWQPC-HNNXBMFYSA-N -1 3 382.420 3.036 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCOc1ccccc1 ZINC000736037671 598887160 /nfs/dbraw/zinc/88/71/60/598887160.db2.gz NNGDVAKLAMWQPC-HNNXBMFYSA-N -1 3 382.420 3.036 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCOc1ccccc1 ZINC000736037672 598887215 /nfs/dbraw/zinc/88/72/15/598887215.db2.gz NNGDVAKLAMWQPC-OAHLLOKOSA-N -1 3 382.420 3.036 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCOc1ccccc1 ZINC000736037672 598887217 /nfs/dbraw/zinc/88/72/17/598887217.db2.gz NNGDVAKLAMWQPC-OAHLLOKOSA-N -1 3 382.420 3.036 20 0 GGADHM C[C@H]1CC(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000736222884 598888371 /nfs/dbraw/zinc/88/83/71/598888371.db2.gz GZLKAQTXGJTUHI-ZIAGYGMSSA-N -1 3 388.541 3.224 20 0 GGADHM C[C@H]1CC(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000736222884 598888373 /nfs/dbraw/zinc/88/83/73/598888373.db2.gz GZLKAQTXGJTUHI-ZIAGYGMSSA-N -1 3 388.541 3.224 20 0 GGADHM Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737199850 598889439 /nfs/dbraw/zinc/88/94/39/598889439.db2.gz PSNFXZHOQJOXBG-ZDUSSCGKSA-N -1 3 391.431 3.210 20 0 GGADHM Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737199850 598889440 /nfs/dbraw/zinc/88/94/40/598889440.db2.gz PSNFXZHOQJOXBG-ZDUSSCGKSA-N -1 3 391.431 3.210 20 0 GGADHM C[C@H](NC(=O)N1CCc2c(Cl)cccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114575 598889521 /nfs/dbraw/zinc/88/95/21/598889521.db2.gz UTSUBYUXFBWLEO-LBPRGKRZSA-N -1 3 382.855 3.349 20 0 GGADHM C[C@H](NC(=O)N1CCc2c(Cl)cccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114575 598889523 /nfs/dbraw/zinc/88/95/23/598889523.db2.gz UTSUBYUXFBWLEO-LBPRGKRZSA-N -1 3 382.855 3.349 20 0 GGADHM C[C@H](NC(=O)NCc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116192 598889609 /nfs/dbraw/zinc/88/96/09/598889609.db2.gz DMEIPJJEYXCQAQ-AWEZNQCLSA-N -1 3 392.463 3.216 20 0 GGADHM C[C@H](NC(=O)NCc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116192 598889611 /nfs/dbraw/zinc/88/96/11/598889611.db2.gz DMEIPJJEYXCQAQ-AWEZNQCLSA-N -1 3 392.463 3.216 20 0 GGADHM COc1cccc2cc(C(=O)O[C@H](C)COc3cccc(-c4nnn[n-]4)c3)oc21 ZINC000737142150 598889850 /nfs/dbraw/zinc/88/98/50/598889850.db2.gz HQRXQIMISCKPGN-GFCCVEGCSA-N -1 3 394.387 3.246 20 0 GGADHM COc1cccc2cc(C(=O)O[C@H](C)COc3cccc(-c4nn[n-]n4)c3)oc21 ZINC000737142150 598889851 /nfs/dbraw/zinc/88/98/51/598889851.db2.gz HQRXQIMISCKPGN-GFCCVEGCSA-N -1 3 394.387 3.246 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000738151603 598889952 /nfs/dbraw/zinc/88/99/52/598889952.db2.gz MTUJVORADCOFCM-OAHLLOKOSA-N -1 3 397.414 3.241 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000738151603 598889953 /nfs/dbraw/zinc/88/99/53/598889953.db2.gz MTUJVORADCOFCM-OAHLLOKOSA-N -1 3 397.414 3.241 20 0 GGADHM Cc1cccc(CSCC(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737397075 598890536 /nfs/dbraw/zinc/89/05/36/598890536.db2.gz SHIQDOFTNNGLAU-OAHLLOKOSA-N -1 3 398.488 3.419 20 0 GGADHM Cc1cccc(CSCC(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737397075 598890538 /nfs/dbraw/zinc/89/05/38/598890538.db2.gz SHIQDOFTNNGLAU-OAHLLOKOSA-N -1 3 398.488 3.419 20 0 GGADHM O=C(Cc1cccc(O)c1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737969649 598892626 /nfs/dbraw/zinc/89/26/26/598892626.db2.gz QOCFKCOCMYMBEC-UHFFFAOYSA-N -1 3 391.456 3.160 20 0 GGADHM COC(=O)[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897880 598893301 /nfs/dbraw/zinc/89/33/01/598893301.db2.gz HYOXATDCHBRKMG-QGZVFWFLSA-N -1 3 394.431 3.235 20 0 GGADHM COC(=O)[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897880 598893302 /nfs/dbraw/zinc/89/33/02/598893302.db2.gz HYOXATDCHBRKMG-QGZVFWFLSA-N -1 3 394.431 3.235 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1csc2cncn21 ZINC000738250196 598894012 /nfs/dbraw/zinc/89/40/12/598894012.db2.gz FBUCAEFXPABWRS-UHFFFAOYSA-N -1 3 388.412 3.462 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1csc2cncn21 ZINC000738250196 598894013 /nfs/dbraw/zinc/89/40/13/598894013.db2.gz FBUCAEFXPABWRS-UHFFFAOYSA-N -1 3 388.412 3.462 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894305 598898824 /nfs/dbraw/zinc/89/88/24/598898824.db2.gz BVYLRPVNGFUTQB-FZKQIMNGSA-N -1 3 386.452 3.231 20 0 GGADHM COC(=O)[C@H](OC(=O)C[C@@H](C)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894305 598898825 /nfs/dbraw/zinc/89/88/25/598898825.db2.gz BVYLRPVNGFUTQB-FZKQIMNGSA-N -1 3 386.452 3.231 20 0 GGADHM CC[C@@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736328726 598901487 /nfs/dbraw/zinc/90/14/87/598901487.db2.gz YDOLXIHWUADQDY-OLZOCXBDSA-N -1 3 382.493 3.324 20 0 GGADHM CC[C@@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736328726 598901488 /nfs/dbraw/zinc/90/14/88/598901488.db2.gz YDOLXIHWUADQDY-OLZOCXBDSA-N -1 3 382.493 3.324 20 0 GGADHM CS[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000737170981 598903921 /nfs/dbraw/zinc/90/39/21/598903921.db2.gz MHTZCBGCXGALHQ-KRWDZBQOSA-N -1 3 379.445 3.267 20 0 GGADHM CS[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000737170981 598903922 /nfs/dbraw/zinc/90/39/22/598903922.db2.gz MHTZCBGCXGALHQ-KRWDZBQOSA-N -1 3 379.445 3.267 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736348390 598904665 /nfs/dbraw/zinc/90/46/65/598904665.db2.gz ANOPKPIMBCCKQU-SFHVURJKSA-N -1 3 385.512 3.448 20 0 GGADHM CC[C@@H](CC1CCCC1)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736348390 598904666 /nfs/dbraw/zinc/90/46/66/598904666.db2.gz ANOPKPIMBCCKQU-SFHVURJKSA-N -1 3 385.512 3.448 20 0 GGADHM COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000736974201 598905054 /nfs/dbraw/zinc/90/50/54/598905054.db2.gz YGJHRDHGJGHQKX-CQSZACIVSA-N -1 3 394.435 3.159 20 0 GGADHM COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000736974201 598905056 /nfs/dbraw/zinc/90/50/56/598905056.db2.gz YGJHRDHGJGHQKX-CQSZACIVSA-N -1 3 394.435 3.159 20 0 GGADHM Cc1cccc2c1CCCN2C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737409118 598909111 /nfs/dbraw/zinc/90/91/11/598909111.db2.gz NHSWZXWQNSLKNG-FQEVSTJZSA-N -1 3 388.475 3.123 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737188930 598911553 /nfs/dbraw/zinc/91/15/53/598911553.db2.gz AFCPURXBJCVQEX-CYBMUJFWSA-N -1 3 383.477 3.015 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737188930 598911555 /nfs/dbraw/zinc/91/15/55/598911555.db2.gz AFCPURXBJCVQEX-CYBMUJFWSA-N -1 3 383.477 3.015 20 0 GGADHM CC[C@H](OC)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736382122 598912177 /nfs/dbraw/zinc/91/21/77/598912177.db2.gz KOCCZXUHCVJIFT-KRWDZBQOSA-N -1 3 385.855 3.478 20 0 GGADHM CC[C@H](OC)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736382122 598912178 /nfs/dbraw/zinc/91/21/78/598912178.db2.gz KOCCZXUHCVJIFT-KRWDZBQOSA-N -1 3 385.855 3.478 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737932860 598913958 /nfs/dbraw/zinc/91/39/58/598913958.db2.gz RILFGDRJTPXWJN-HXUWFJFHSA-N -1 3 383.521 3.449 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737932860 598913960 /nfs/dbraw/zinc/91/39/60/598913960.db2.gz RILFGDRJTPXWJN-HXUWFJFHSA-N -1 3 383.521 3.449 20 0 GGADHM O=C(Cc1ccc(Br)s1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737955373 598922676 /nfs/dbraw/zinc/92/26/76/598922676.db2.gz FKBGWMMDOSOZAT-UHFFFAOYSA-N -1 3 397.229 3.116 20 0 GGADHM O=C(Cc1ccc(Br)s1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737955373 598922677 /nfs/dbraw/zinc/92/26/77/598922677.db2.gz FKBGWMMDOSOZAT-UHFFFAOYSA-N -1 3 397.229 3.116 20 0 GGADHM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737332990 598924943 /nfs/dbraw/zinc/92/49/43/598924943.db2.gz ZLOUEGIEQWEEOE-APWZRJJASA-N -1 3 378.432 3.433 20 0 GGADHM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737332990 598924944 /nfs/dbraw/zinc/92/49/44/598924944.db2.gz ZLOUEGIEQWEEOE-APWZRJJASA-N -1 3 378.432 3.433 20 0 GGADHM CCCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736472495 598927715 /nfs/dbraw/zinc/92/77/15/598927715.db2.gz PBYUNLLQFYBFFX-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CCCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736472495 598927716 /nfs/dbraw/zinc/92/77/16/598927716.db2.gz PBYUNLLQFYBFFX-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736331109 598931972 /nfs/dbraw/zinc/93/19/72/598931972.db2.gz OWKKWEDWBPUFFW-SPLOXXLWSA-N -1 3 379.464 3.061 20 0 GGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736331109 598931973 /nfs/dbraw/zinc/93/19/73/598931973.db2.gz OWKKWEDWBPUFFW-SPLOXXLWSA-N -1 3 379.464 3.061 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=COCC1 ZINC000737271388 598933629 /nfs/dbraw/zinc/93/36/29/598933629.db2.gz USGVUBMEPXLPAI-UHFFFAOYSA-N -1 3 379.395 3.152 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=COCC1 ZINC000737271388 598933631 /nfs/dbraw/zinc/93/36/31/598933631.db2.gz USGVUBMEPXLPAI-UHFFFAOYSA-N -1 3 379.395 3.152 20 0 GGADHM CCOC(=O)c1nnc2ccccc2c1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736605999 598936596 /nfs/dbraw/zinc/93/65/96/598936596.db2.gz UBNRLPCNKVWRNU-GFCCVEGCSA-N -1 3 389.419 3.160 20 0 GGADHM CCOC(=O)c1nnc2ccccc2c1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736605999 598936597 /nfs/dbraw/zinc/93/65/97/598936597.db2.gz UBNRLPCNKVWRNU-GFCCVEGCSA-N -1 3 389.419 3.160 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000737241094 598939733 /nfs/dbraw/zinc/93/97/33/598939733.db2.gz PHKWXFYDVLEZCQ-UHFFFAOYSA-N -1 3 379.399 3.327 20 0 GGADHM CC[C@@H]1CCC[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736397328 598942266 /nfs/dbraw/zinc/94/22/66/598942266.db2.gz TVSDHGPVVJDMKY-HUUCEWRRSA-N -1 3 388.541 3.364 20 0 GGADHM CC[C@@H]1CCC[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736397328 598942268 /nfs/dbraw/zinc/94/22/68/598942268.db2.gz TVSDHGPVVJDMKY-HUUCEWRRSA-N -1 3 388.541 3.364 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000736467397 598945419 /nfs/dbraw/zinc/94/54/19/598945419.db2.gz DUZKXBXQUMKKDD-MSOLQXFVSA-N -1 3 385.512 3.242 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000736467397 598945420 /nfs/dbraw/zinc/94/54/20/598945420.db2.gz DUZKXBXQUMKKDD-MSOLQXFVSA-N -1 3 385.512 3.242 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCC2 ZINC000736617376 598945516 /nfs/dbraw/zinc/94/55/16/598945516.db2.gz RLOBZCOWEXVYEM-WFJXPABVSA-N -1 3 381.480 3.076 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCC2 ZINC000736617376 598945517 /nfs/dbraw/zinc/94/55/17/598945517.db2.gz RLOBZCOWEXVYEM-WFJXPABVSA-N -1 3 381.480 3.076 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1OCC1CC1 ZINC000737796923 598945824 /nfs/dbraw/zinc/94/58/24/598945824.db2.gz CFEMLTMOEIQOOH-YFHOEESVSA-N -1 3 379.395 3.447 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1OCC1CC1 ZINC000737796923 598945825 /nfs/dbraw/zinc/94/58/25/598945825.db2.gz CFEMLTMOEIQOOH-YFHOEESVSA-N -1 3 379.395 3.447 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000737296506 598956285 /nfs/dbraw/zinc/95/62/85/598956285.db2.gz JBCODDQXICJCOZ-KRWDZBQOSA-N -1 3 397.504 3.134 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000737296506 598956287 /nfs/dbraw/zinc/95/62/87/598956287.db2.gz JBCODDQXICJCOZ-KRWDZBQOSA-N -1 3 397.504 3.134 20 0 GGADHM C[C@@]1(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCc2ccccc21 ZINC000736222050 598966262 /nfs/dbraw/zinc/96/62/62/598966262.db2.gz DAINOHAVTDQJLL-HXUWFJFHSA-N -1 3 380.427 3.057 20 0 GGADHM C[C@@]1(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCc2ccccc21 ZINC000736222050 598966264 /nfs/dbraw/zinc/96/62/64/598966264.db2.gz DAINOHAVTDQJLL-HXUWFJFHSA-N -1 3 380.427 3.057 20 0 GGADHM Cc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000737357321 598967058 /nfs/dbraw/zinc/96/70/58/598967058.db2.gz OTAUUIDXLFYSGK-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM Cc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000737357321 598967060 /nfs/dbraw/zinc/96/70/60/598967060.db2.gz OTAUUIDXLFYSGK-UHFFFAOYSA-N -1 3 388.378 3.440 20 0 GGADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736287167 598970571 /nfs/dbraw/zinc/97/05/71/598970571.db2.gz DZTSAVLCYVFQTG-XHDPSFHLSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736287167 598970574 /nfs/dbraw/zinc/97/05/74/598970574.db2.gz DZTSAVLCYVFQTG-XHDPSFHLSA-N -1 3 392.891 3.260 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C)s1 ZINC000736509353 598970699 /nfs/dbraw/zinc/97/06/99/598970699.db2.gz VMJXRDMFPMHASL-GFCCVEGCSA-N -1 3 377.495 3.008 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C)s1 ZINC000736509353 598970701 /nfs/dbraw/zinc/97/07/01/598970701.db2.gz VMJXRDMFPMHASL-GFCCVEGCSA-N -1 3 377.495 3.008 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000736507511 598971053 /nfs/dbraw/zinc/97/10/53/598971053.db2.gz DSWNEUWRQLEIHV-AWEZNQCLSA-N -1 3 397.504 3.127 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000736507511 598971054 /nfs/dbraw/zinc/97/10/54/598971054.db2.gz DSWNEUWRQLEIHV-AWEZNQCLSA-N -1 3 397.504 3.127 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(OCC2CC2)cc1 ZINC000737033059 598979145 /nfs/dbraw/zinc/97/91/45/598979145.db2.gz RNQDWKGIJBMZQL-UHFFFAOYSA-N -1 3 382.420 3.122 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(OCC2CC2)cc1 ZINC000737033059 598979147 /nfs/dbraw/zinc/97/91/47/598979147.db2.gz RNQDWKGIJBMZQL-UHFFFAOYSA-N -1 3 382.420 3.122 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)C1(c2cccc(F)c2)CC1 ZINC000738085402 598983738 /nfs/dbraw/zinc/98/37/38/598983738.db2.gz IBEIYLWZSOZOAD-UHFFFAOYSA-N -1 3 397.479 3.087 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)C1(c2cccc(F)c2)CC1 ZINC000738085402 598983739 /nfs/dbraw/zinc/98/37/39/598983739.db2.gz IBEIYLWZSOZOAD-UHFFFAOYSA-N -1 3 397.479 3.087 20 0 GGADHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)Cc1c(F)cccc1F ZINC000736536492 598983835 /nfs/dbraw/zinc/98/38/35/598983835.db2.gz JYJOSPCWDZNCEH-UHFFFAOYSA-N -1 3 389.406 3.054 20 0 GGADHM Cc1ccc(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000737360504 598984094 /nfs/dbraw/zinc/98/40/94/598984094.db2.gz PQGFKVVPMVGDHI-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000736478919 598989205 /nfs/dbraw/zinc/98/92/05/598989205.db2.gz GGNSICAHVGMWKF-UHFFFAOYSA-N -1 3 392.438 3.468 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000736478919 598989207 /nfs/dbraw/zinc/98/92/07/598989207.db2.gz GGNSICAHVGMWKF-UHFFFAOYSA-N -1 3 392.438 3.468 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)Cc1ccc2ccccc2c1 ZINC000737220628 598995495 /nfs/dbraw/zinc/99/54/95/598995495.db2.gz GAFVZGRJWSZUQW-UHFFFAOYSA-N -1 3 393.472 3.149 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)Cc1ccc2ccccc2c1 ZINC000737220628 598995498 /nfs/dbraw/zinc/99/54/98/598995498.db2.gz GAFVZGRJWSZUQW-UHFFFAOYSA-N -1 3 393.472 3.149 20 0 GGADHM O=C(NC1CCSCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738033453 599001064 /nfs/dbraw/zinc/00/10/64/599001064.db2.gz BBCYXVHMWUYZTP-UHFFFAOYSA-N -1 3 395.488 3.071 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000737224205 599006730 /nfs/dbraw/zinc/00/67/30/599006730.db2.gz OUVYKZHCKVLTTJ-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000737224205 599006731 /nfs/dbraw/zinc/00/67/31/599006731.db2.gz OUVYKZHCKVLTTJ-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737089853 599008958 /nfs/dbraw/zinc/00/89/58/599008958.db2.gz XQYIDWCNLHCZAR-UHFFFAOYSA-N -1 3 394.479 3.001 20 0 GGADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737089853 599008960 /nfs/dbraw/zinc/00/89/60/599008960.db2.gz XQYIDWCNLHCZAR-UHFFFAOYSA-N -1 3 394.479 3.001 20 0 GGADHM Cc1ccnc(-c2cccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737437880 599009289 /nfs/dbraw/zinc/00/92/89/599009289.db2.gz SJSIYOBYABPNQI-UHFFFAOYSA-N -1 3 385.431 3.203 20 0 GGADHM Cc1ccnc(-c2cccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737437880 599009291 /nfs/dbraw/zinc/00/92/91/599009291.db2.gz SJSIYOBYABPNQI-UHFFFAOYSA-N -1 3 385.431 3.203 20 0 GGADHM Cc1cccnc1[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737435974 599009322 /nfs/dbraw/zinc/00/93/22/599009322.db2.gz PHGLQRSKSKPAOD-SFHVURJKSA-N -1 3 396.520 3.317 20 0 GGADHM Cc1cccnc1[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737435974 599009324 /nfs/dbraw/zinc/00/93/24/599009324.db2.gz PHGLQRSKSKPAOD-SFHVURJKSA-N -1 3 396.520 3.317 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737436026 599009444 /nfs/dbraw/zinc/00/94/44/599009444.db2.gz QAJLLNNWLATFAD-QGZVFWFLSA-N -1 3 382.493 3.176 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737436026 599009445 /nfs/dbraw/zinc/00/94/45/599009445.db2.gz QAJLLNNWLATFAD-QGZVFWFLSA-N -1 3 382.493 3.176 20 0 GGADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc(-c4nnn[n-]4)c3)s2)c1 ZINC000737252572 599010256 /nfs/dbraw/zinc/01/02/56/599010256.db2.gz JCOXNYVKQQOXAT-UHFFFAOYSA-N -1 3 377.433 3.254 20 0 GGADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc(-c4nn[n-]n4)c3)s2)c1 ZINC000737252572 599010257 /nfs/dbraw/zinc/01/02/57/599010257.db2.gz JCOXNYVKQQOXAT-UHFFFAOYSA-N -1 3 377.433 3.254 20 0 GGADHM CCN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1cccnc1 ZINC000736505822 599015319 /nfs/dbraw/zinc/01/53/19/599015319.db2.gz SIOCLDQUHITXGF-CQSZACIVSA-N -1 3 382.493 3.105 20 0 GGADHM CCN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1cccnc1 ZINC000736505822 599015321 /nfs/dbraw/zinc/01/53/21/599015321.db2.gz SIOCLDQUHITXGF-CQSZACIVSA-N -1 3 382.493 3.105 20 0 GGADHM NC(=O)[C@H](Sc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739151 599011857 /nfs/dbraw/zinc/01/18/57/599011857.db2.gz IJZWDFOMEIQREB-CYBMUJFWSA-N -1 3 379.367 3.204 20 0 GGADHM NC(=O)[C@H](Sc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739151 599011859 /nfs/dbraw/zinc/01/18/59/599011859.db2.gz IJZWDFOMEIQREB-CYBMUJFWSA-N -1 3 379.367 3.204 20 0 GGADHM NC(=O)[C@H](Sc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739160 599011977 /nfs/dbraw/zinc/01/19/77/599011977.db2.gz IPSMTLVTELTHOZ-GFCCVEGCSA-N -1 3 380.260 3.492 20 0 GGADHM NC(=O)[C@H](Sc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739160 599011979 /nfs/dbraw/zinc/01/19/79/599011979.db2.gz IPSMTLVTELTHOZ-GFCCVEGCSA-N -1 3 380.260 3.492 20 0 GGADHM C[C@@H]1CCC[C@H](CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736252000 599016739 /nfs/dbraw/zinc/01/67/39/599016739.db2.gz PAQKZISCRQLREY-GPMSIDNRSA-N -1 3 382.512 3.168 20 0 GGADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000736228603 599019374 /nfs/dbraw/zinc/01/93/74/599019374.db2.gz OKFQDQBILUILRR-OLZOCXBDSA-N -1 3 379.424 3.316 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](CCCO)c1ccccc1 ZINC000738150563 599019917 /nfs/dbraw/zinc/01/99/17/599019917.db2.gz AIQZTALHPBJKQL-INIZCTEOSA-N -1 3 386.843 3.155 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](CCCO)c1ccccc1 ZINC000738150563 599019918 /nfs/dbraw/zinc/01/99/18/599019918.db2.gz AIQZTALHPBJKQL-INIZCTEOSA-N -1 3 386.843 3.155 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735922110 599026193 /nfs/dbraw/zinc/02/61/93/599026193.db2.gz CNFODKNCKQSJON-MSOLQXFVSA-N -1 3 392.463 3.144 20 0 GGADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735922110 599026195 /nfs/dbraw/zinc/02/61/95/599026195.db2.gz CNFODKNCKQSJON-MSOLQXFVSA-N -1 3 392.463 3.144 20 0 GGADHM Cc1cc(Br)ccc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000737230905 599026736 /nfs/dbraw/zinc/02/67/36/599026736.db2.gz KKRAXADUZBJKSV-UHFFFAOYSA-N -1 3 379.239 3.356 20 0 GGADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc(OC)c1 ZINC000736381043 599027595 /nfs/dbraw/zinc/02/75/95/599027595.db2.gz GZNYUCOTKAZUPA-CXAGYDPISA-N -1 3 382.420 3.337 20 0 GGADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc(OC)c1 ZINC000736381043 599027596 /nfs/dbraw/zinc/02/75/96/599027596.db2.gz GZNYUCOTKAZUPA-CXAGYDPISA-N -1 3 382.420 3.337 20 0 GGADHM Cc1[nH]nc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1C ZINC000737203508 599029748 /nfs/dbraw/zinc/02/97/48/599029748.db2.gz UQQOENHOHKSGPO-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1nccs1 ZINC000737941835 599029995 /nfs/dbraw/zinc/02/99/95/599029995.db2.gz FCXKVBHHTNUXED-AWEZNQCLSA-N -1 3 386.506 3.169 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1nccs1 ZINC000737941835 599029997 /nfs/dbraw/zinc/02/99/97/599029997.db2.gz FCXKVBHHTNUXED-AWEZNQCLSA-N -1 3 386.506 3.169 20 0 GGADHM CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)c1cccnc1 ZINC000736742565 599033127 /nfs/dbraw/zinc/03/31/27/599033127.db2.gz OPHULGPVDMJCQF-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)c1cccnc1 ZINC000736742565 599033129 /nfs/dbraw/zinc/03/31/29/599033129.db2.gz OPHULGPVDMJCQF-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM Cc1ccccc1[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000822350494 599035881 /nfs/dbraw/zinc/03/58/81/599035881.db2.gz DLHADCPZDCFBTI-CQSZACIVSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccccc1[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000822350494 599035884 /nfs/dbraw/zinc/03/58/84/599035884.db2.gz DLHADCPZDCFBTI-CQSZACIVSA-N -1 3 390.369 3.167 20 0 GGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000738207206 599035811 /nfs/dbraw/zinc/03/58/11/599035811.db2.gz FIXQUEWLBWAIAI-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000738207206 599035815 /nfs/dbraw/zinc/03/58/15/599035815.db2.gz FIXQUEWLBWAIAI-UHFFFAOYSA-N -1 3 379.811 3.017 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccccc2N2CCCC2)n1 ZINC000737636973 599048185 /nfs/dbraw/zinc/04/81/85/599048185.db2.gz WNHPFWWDHIIIKC-UHFFFAOYSA-N -1 3 389.385 3.493 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccccc2N2CCCC2)n1 ZINC000737636973 599048188 /nfs/dbraw/zinc/04/81/88/599048188.db2.gz WNHPFWWDHIIIKC-UHFFFAOYSA-N -1 3 389.385 3.493 20 0 GGADHM CN(C)c1ccc(N2CCC(Nc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821589704 599052753 /nfs/dbraw/zinc/05/27/53/599052753.db2.gz ZJKGZNPISOGZQZ-UHFFFAOYSA-N -1 3 381.459 3.153 20 0 GGADHM CN(C)c1ccc(N2CCC(Nc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821589704 599052756 /nfs/dbraw/zinc/05/27/56/599052756.db2.gz ZJKGZNPISOGZQZ-UHFFFAOYSA-N -1 3 381.459 3.153 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCOC4(CCCCC4)C3)c2c1 ZINC000822753137 599055978 /nfs/dbraw/zinc/05/59/78/599055978.db2.gz GIVBUBZPCLFNFM-UHFFFAOYSA-N -1 3 386.406 3.233 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCOC4(CCCCC4)C3)c2c1 ZINC000822753137 599055981 /nfs/dbraw/zinc/05/59/81/599055981.db2.gz GIVBUBZPCLFNFM-UHFFFAOYSA-N -1 3 386.406 3.233 20 0 GGADHM Cc1cccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000822328204 599057403 /nfs/dbraw/zinc/05/74/03/599057403.db2.gz MWHNFKZRXHPSSE-NSHDSACASA-N -1 3 378.358 3.468 20 0 GGADHM Cc1cccc(O[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000822328204 599057405 /nfs/dbraw/zinc/05/74/05/599057405.db2.gz MWHNFKZRXHPSSE-NSHDSACASA-N -1 3 378.358 3.468 20 0 GGADHM Clc1ccc(-c2noc(CNc3ncc(-c4nnn[n-]4)cc3Cl)n2)cc1 ZINC000737570383 599059855 /nfs/dbraw/zinc/05/98/55/599059855.db2.gz GKJOOQDPSRZMRX-UHFFFAOYSA-N -1 3 389.206 3.231 20 0 GGADHM Clc1ccc(-c2noc(CNc3ncc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000737570383 599059858 /nfs/dbraw/zinc/05/98/58/599059858.db2.gz GKJOOQDPSRZMRX-UHFFFAOYSA-N -1 3 389.206 3.231 20 0 GGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735498089 599062844 /nfs/dbraw/zinc/06/28/44/599062844.db2.gz FNGUORLONUOENS-LLVKDONJSA-N -1 3 385.424 3.328 20 0 GGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735498089 599062846 /nfs/dbraw/zinc/06/28/46/599062846.db2.gz FNGUORLONUOENS-LLVKDONJSA-N -1 3 385.424 3.328 20 0 GGADHM C[C@@H](CNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736190646 599065070 /nfs/dbraw/zinc/06/50/70/599065070.db2.gz GEZGWBVOLBLIPW-STQMWFEESA-N -1 3 385.468 3.406 20 0 GGADHM C[C@@H](CNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736190646 599065073 /nfs/dbraw/zinc/06/50/73/599065073.db2.gz GEZGWBVOLBLIPW-STQMWFEESA-N -1 3 385.468 3.406 20 0 GGADHM Cn1cc(-c2cccc(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c2)cn1 ZINC000737591472 599071420 /nfs/dbraw/zinc/07/14/20/599071420.db2.gz FTSCIEDNWKPOOY-UHFFFAOYSA-N -1 3 390.451 3.076 20 0 GGADHM Cn1cc(-c2cccc(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c2)cn1 ZINC000737591472 599071425 /nfs/dbraw/zinc/07/14/25/599071425.db2.gz FTSCIEDNWKPOOY-UHFFFAOYSA-N -1 3 390.451 3.076 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000736997470 599071963 /nfs/dbraw/zinc/07/19/63/599071963.db2.gz PHTTZESXRLTSBC-MOPGFXCFSA-N -1 3 383.496 3.058 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000736997470 599071966 /nfs/dbraw/zinc/07/19/66/599071966.db2.gz PHTTZESXRLTSBC-MOPGFXCFSA-N -1 3 383.496 3.058 20 0 GGADHM CCc1ccc(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000736683423 599075166 /nfs/dbraw/zinc/07/51/66/599075166.db2.gz QXAJAYSEJLQCOV-UHFFFAOYSA-N -1 3 391.475 3.042 20 0 GGADHM CCc1ccc(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000736683423 599075168 /nfs/dbraw/zinc/07/51/68/599075168.db2.gz QXAJAYSEJLQCOV-UHFFFAOYSA-N -1 3 391.475 3.042 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@H]1OCCc2sccc21 ZINC000822204143 599075433 /nfs/dbraw/zinc/07/54/33/599075433.db2.gz FZWCXMOJFWSZNT-OAHLLOKOSA-N -1 3 396.451 3.072 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@H]1OCCc2sccc21 ZINC000822204143 599075436 /nfs/dbraw/zinc/07/54/36/599075436.db2.gz FZWCXMOJFWSZNT-OAHLLOKOSA-N -1 3 396.451 3.072 20 0 GGADHM O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737786739 599075745 /nfs/dbraw/zinc/07/57/45/599075745.db2.gz VSDOLFIYLUYLTH-VQTJNVASSA-N -1 3 395.507 3.453 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000736700780 599078440 /nfs/dbraw/zinc/07/84/40/599078440.db2.gz WNDNEWCPUSHZKI-OEYXZAGESA-N -1 3 382.493 3.427 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000736700780 599078444 /nfs/dbraw/zinc/07/84/44/599078444.db2.gz WNDNEWCPUSHZKI-OEYXZAGESA-N -1 3 382.493 3.427 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000738194634 599078925 /nfs/dbraw/zinc/07/89/25/599078925.db2.gz GATVOYXESGRBKZ-IRXDYDNUSA-N -1 3 377.452 3.207 20 0 GGADHM O=C1OCCN1c1cccc2c1CCN(c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000823551231 599081590 /nfs/dbraw/zinc/08/15/90/599081590.db2.gz JSBIXLUUMNNDLV-UHFFFAOYSA-N -1 3 396.838 3.039 20 0 GGADHM O=C1OCCN1c1cccc2c1CCN(c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000823551231 599081593 /nfs/dbraw/zinc/08/15/93/599081593.db2.gz JSBIXLUUMNNDLV-UHFFFAOYSA-N -1 3 396.838 3.039 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@@H]1C ZINC000736265373 599082019 /nfs/dbraw/zinc/08/20/19/599082019.db2.gz IUFPAVCETWFPOD-ZIAGYGMSSA-N -1 3 381.436 3.299 20 0 GGADHM C[C@@H](CCC1CCCCC1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735983937 599082103 /nfs/dbraw/zinc/08/21/03/599082103.db2.gz AHFPJYSKUUCAJH-AWEZNQCLSA-N -1 3 377.514 3.035 20 0 GGADHM C[C@@H](CCC1CCCCC1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735983937 599082105 /nfs/dbraw/zinc/08/21/05/599082105.db2.gz AHFPJYSKUUCAJH-AWEZNQCLSA-N -1 3 377.514 3.035 20 0 GGADHM NC(=O)[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739382 599086019 /nfs/dbraw/zinc/08/60/19/599086019.db2.gz YPVTUBDCNLUAKG-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM NC(=O)[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739382 599086022 /nfs/dbraw/zinc/08/60/22/599086022.db2.gz YPVTUBDCNLUAKG-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM CC(C)(NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000735678331 599086131 /nfs/dbraw/zinc/08/61/31/599086131.db2.gz ODBWZAWGDHADCR-UHFFFAOYSA-N -1 3 377.448 3.364 20 0 GGADHM CC(C)(NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000735678331 599086134 /nfs/dbraw/zinc/08/61/34/599086134.db2.gz ODBWZAWGDHADCR-UHFFFAOYSA-N -1 3 377.448 3.364 20 0 GGADHM CC[C@](C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000736315301 599088830 /nfs/dbraw/zinc/08/88/30/599088830.db2.gz OVNCYRKKBXPAQL-KRWDZBQOSA-N -1 3 388.522 3.165 20 0 GGADHM CC[C@](C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cs1 ZINC000736315301 599088833 /nfs/dbraw/zinc/08/88/33/599088833.db2.gz OVNCYRKKBXPAQL-KRWDZBQOSA-N -1 3 388.522 3.165 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736235355 599090099 /nfs/dbraw/zinc/09/00/99/599090099.db2.gz NQAQWQXIKAYBAA-SPYBWZPUSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736235355 599090102 /nfs/dbraw/zinc/09/01/02/599090102.db2.gz NQAQWQXIKAYBAA-SPYBWZPUSA-N -1 3 377.448 3.039 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000735736013 599092982 /nfs/dbraw/zinc/09/29/82/599092982.db2.gz RFXYQUINWTZCMR-XQBPLPMBSA-N -1 3 391.475 3.117 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000735736013 599092984 /nfs/dbraw/zinc/09/29/84/599092984.db2.gz RFXYQUINWTZCMR-XQBPLPMBSA-N -1 3 391.475 3.117 20 0 GGADHM C[C@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000736007422 599095066 /nfs/dbraw/zinc/09/50/66/599095066.db2.gz AUOXBLLKLFPGTM-HNNXBMFYSA-N -1 3 399.520 3.472 20 0 GGADHM C[C@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000736007422 599095068 /nfs/dbraw/zinc/09/50/68/599095068.db2.gz AUOXBLLKLFPGTM-HNNXBMFYSA-N -1 3 399.520 3.472 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000737273217 599091592 /nfs/dbraw/zinc/09/15/92/599091592.db2.gz ZCQAOYHOCNBAAB-CQSZACIVSA-N -1 3 381.436 3.368 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737031695 599096661 /nfs/dbraw/zinc/09/66/61/599096661.db2.gz BUYLCWVBQCIKSN-IRXDYDNUSA-N -1 3 399.495 3.119 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737031695 599096664 /nfs/dbraw/zinc/09/66/64/599096664.db2.gz BUYLCWVBQCIKSN-IRXDYDNUSA-N -1 3 399.495 3.119 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2sccc2-c2nnn[n-]2)C12CCCCC2 ZINC000736612443 599097111 /nfs/dbraw/zinc/09/71/11/599097111.db2.gz OYVXAQAXZQHEDL-ZIAGYGMSSA-N -1 3 375.498 3.128 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2sccc2-c2nn[n-]n2)C12CCCCC2 ZINC000736612443 599097115 /nfs/dbraw/zinc/09/71/15/599097115.db2.gz OYVXAQAXZQHEDL-ZIAGYGMSSA-N -1 3 375.498 3.128 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000735733988 599105967 /nfs/dbraw/zinc/10/59/67/599105967.db2.gz DTPNCJXIZBTQBM-KRWDZBQOSA-N -1 3 397.483 3.221 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000735733988 599105970 /nfs/dbraw/zinc/10/59/70/599105970.db2.gz DTPNCJXIZBTQBM-KRWDZBQOSA-N -1 3 397.483 3.221 20 0 GGADHM COc1ccc(C[C@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)cc1 ZINC000737086317 599106761 /nfs/dbraw/zinc/10/67/61/599106761.db2.gz HODOUTQULSTOAN-CQSZACIVSA-N -1 3 383.477 3.032 20 0 GGADHM COc1ccc(C[C@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)cc1 ZINC000737086317 599106762 /nfs/dbraw/zinc/10/67/62/599106762.db2.gz HODOUTQULSTOAN-CQSZACIVSA-N -1 3 383.477 3.032 20 0 GGADHM COCCN(C(=O)CCCOc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987690 599115564 /nfs/dbraw/zinc/11/55/64/599115564.db2.gz FLQDSGBYULHOAP-UHFFFAOYSA-N -1 3 395.463 3.014 20 0 GGADHM COCCN(C(=O)CCCOc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987690 599115566 /nfs/dbraw/zinc/11/55/66/599115566.db2.gz FLQDSGBYULHOAP-UHFFFAOYSA-N -1 3 395.463 3.014 20 0 GGADHM CCCCOC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736460458 599116745 /nfs/dbraw/zinc/11/67/45/599116745.db2.gz HTOSMHYYYOXIOD-AWEZNQCLSA-N -1 3 394.431 3.422 20 0 GGADHM CCCCOC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736460458 599116748 /nfs/dbraw/zinc/11/67/48/599116748.db2.gz HTOSMHYYYOXIOD-AWEZNQCLSA-N -1 3 394.431 3.422 20 0 GGADHM COc1ccccc1[C@@H](C)S[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821882887 599128050 /nfs/dbraw/zinc/12/80/50/599128050.db2.gz NAJGLTCFKROCLS-ACJLOTCBSA-N -1 3 395.488 3.475 20 0 GGADHM COc1ccccc1[C@@H](C)S[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821882887 599128053 /nfs/dbraw/zinc/12/80/53/599128053.db2.gz NAJGLTCFKROCLS-ACJLOTCBSA-N -1 3 395.488 3.475 20 0 GGADHM O=C(O[C@@H]1CCCCC1=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738212015 599131118 /nfs/dbraw/zinc/13/11/18/599131118.db2.gz BHWCATOIYORQBW-LJQANCHMSA-N -1 3 392.415 3.114 20 0 GGADHM O=C(O[C@@H]1CCCCC1=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738212015 599131121 /nfs/dbraw/zinc/13/11/21/599131121.db2.gz BHWCATOIYORQBW-LJQANCHMSA-N -1 3 392.415 3.114 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000463306678 599133675 /nfs/dbraw/zinc/13/36/75/599133675.db2.gz WBMCBEBVRGKXPI-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000463306678 599133678 /nfs/dbraw/zinc/13/36/78/599133678.db2.gz WBMCBEBVRGKXPI-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000820206731 599136650 /nfs/dbraw/zinc/13/66/50/599136650.db2.gz YBACNKAAEQUZQE-LLVKDONJSA-N -1 3 395.492 3.429 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000820206731 599136655 /nfs/dbraw/zinc/13/66/55/599136655.db2.gz YBACNKAAEQUZQE-LLVKDONJSA-N -1 3 395.492 3.429 20 0 GGADHM CCCOc1ccc(CCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821134429 599137509 /nfs/dbraw/zinc/13/75/09/599137509.db2.gz UGBWZAYMUZIQDY-OAHLLOKOSA-N -1 3 379.464 3.466 20 0 GGADHM CCCOc1ccc(CCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821134429 599137512 /nfs/dbraw/zinc/13/75/12/599137512.db2.gz UGBWZAYMUZIQDY-OAHLLOKOSA-N -1 3 379.464 3.466 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821612566 599140130 /nfs/dbraw/zinc/14/01/30/599140130.db2.gz ZPKIZOBRYVLUSC-HJWRWDBZSA-N -1 3 382.493 3.293 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821612566 599140132 /nfs/dbraw/zinc/14/01/32/599140132.db2.gz ZPKIZOBRYVLUSC-HJWRWDBZSA-N -1 3 382.493 3.293 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233383 599140236 /nfs/dbraw/zinc/14/02/36/599140236.db2.gz NUYRULICFFOKQW-UXHICEINSA-N -1 3 391.475 3.301 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233383 599140238 /nfs/dbraw/zinc/14/02/38/599140238.db2.gz NUYRULICFFOKQW-UXHICEINSA-N -1 3 391.475 3.301 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000737060004 599145144 /nfs/dbraw/zinc/14/51/44/599145144.db2.gz ZDHBFTTUVUONKA-BBRMVZONSA-N -1 3 378.436 3.285 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000737060004 599145147 /nfs/dbraw/zinc/14/51/47/599145147.db2.gz ZDHBFTTUVUONKA-BBRMVZONSA-N -1 3 378.436 3.285 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000737290819 599146380 /nfs/dbraw/zinc/14/63/80/599146380.db2.gz GLWAKSHTOYUKQH-GOSISDBHSA-N -1 3 391.479 3.308 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000737290819 599146383 /nfs/dbraw/zinc/14/63/83/599146383.db2.gz GLWAKSHTOYUKQH-GOSISDBHSA-N -1 3 391.479 3.308 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000737291216 599146441 /nfs/dbraw/zinc/14/64/41/599146441.db2.gz JHKJMDYTFACZRB-IBGZPJMESA-N -1 3 392.463 3.465 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000737291216 599146443 /nfs/dbraw/zinc/14/64/43/599146443.db2.gz JHKJMDYTFACZRB-IBGZPJMESA-N -1 3 392.463 3.465 20 0 GGADHM O=C(OCc1nccs1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738244849 599153038 /nfs/dbraw/zinc/15/30/38/599153038.db2.gz KZAAUFOCYSEMEX-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H]1CCc2ccccc21 ZINC000736038781 599155952 /nfs/dbraw/zinc/15/59/52/599155952.db2.gz XSCRKAFFNPYETI-GOEBONIOSA-N -1 3 378.432 3.297 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H]1CCc2ccccc21 ZINC000736038781 599155955 /nfs/dbraw/zinc/15/59/55/599155955.db2.gz XSCRKAFFNPYETI-GOEBONIOSA-N -1 3 378.432 3.297 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000821765935 599155982 /nfs/dbraw/zinc/15/59/82/599155982.db2.gz NGMPVMOORMCXLW-CQSZACIVSA-N -1 3 398.854 3.136 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000821765935 599155984 /nfs/dbraw/zinc/15/59/84/599155984.db2.gz NGMPVMOORMCXLW-CQSZACIVSA-N -1 3 398.854 3.136 20 0 GGADHM COc1ccc(-c2nc3cc(Br)ccc3n2C)cc1-c1nnn[n-]1 ZINC000821731579 599156145 /nfs/dbraw/zinc/15/61/45/599156145.db2.gz FDRVOJBGFWSOBR-UHFFFAOYSA-N -1 3 385.225 3.192 20 0 GGADHM COc1ccc(-c2nc3cc(Br)ccc3n2C)cc1-c1nn[n-]n1 ZINC000821731579 599156147 /nfs/dbraw/zinc/15/61/47/599156147.db2.gz FDRVOJBGFWSOBR-UHFFFAOYSA-N -1 3 385.225 3.192 20 0 GGADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821001184 599158034 /nfs/dbraw/zinc/15/80/34/599158034.db2.gz PQYFPOZCGJCLKW-IFXJQAMLSA-N -1 3 392.463 3.250 20 0 GGADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821001186 599158038 /nfs/dbraw/zinc/15/80/38/599158038.db2.gz PQYFPOZCGJCLKW-LIRRHRJNSA-N -1 3 392.463 3.250 20 0 GGADHM Cn1c2ccccc2nc1SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737594585 599158199 /nfs/dbraw/zinc/15/81/99/599158199.db2.gz ZXTOVIDXEYABSN-UHFFFAOYSA-N -1 3 390.432 3.096 20 0 GGADHM Cn1c2ccccc2nc1SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737594585 599158200 /nfs/dbraw/zinc/15/82/00/599158200.db2.gz ZXTOVIDXEYABSN-UHFFFAOYSA-N -1 3 390.432 3.096 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735655378 599159871 /nfs/dbraw/zinc/15/98/71/599159871.db2.gz NJTICVHUHQQADT-NEPJUHHUSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735655378 599159872 /nfs/dbraw/zinc/15/98/72/599159872.db2.gz NJTICVHUHQQADT-NEPJUHHUSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000735655384 599159911 /nfs/dbraw/zinc/15/99/11/599159911.db2.gz NJTICVHUHQQADT-VXGBXAGGSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000735655384 599159912 /nfs/dbraw/zinc/15/99/12/599159912.db2.gz NJTICVHUHQQADT-VXGBXAGGSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735655380 599159916 /nfs/dbraw/zinc/15/99/16/599159916.db2.gz NJTICVHUHQQADT-NWDGAFQWSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735655380 599159918 /nfs/dbraw/zinc/15/99/18/599159918.db2.gz NJTICVHUHQQADT-NWDGAFQWSA-N -1 3 386.406 3.444 20 0 GGADHM c1cc2c(ncnc2SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC000738451762 599161338 /nfs/dbraw/zinc/16/13/38/599161338.db2.gz JUGUMOVPMDUEOX-UHFFFAOYSA-N -1 3 394.445 3.214 20 0 GGADHM c1cc2c(ncnc2SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000738451762 599161341 /nfs/dbraw/zinc/16/13/41/599161341.db2.gz JUGUMOVPMDUEOX-UHFFFAOYSA-N -1 3 394.445 3.214 20 0 GGADHM O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737787128 599161550 /nfs/dbraw/zinc/16/15/50/599161550.db2.gz WWRBDJKJNUIIPY-HZPDHXFCSA-N -1 3 395.413 3.440 20 0 GGADHM O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737787128 599161552 /nfs/dbraw/zinc/16/15/52/599161552.db2.gz WWRBDJKJNUIIPY-HZPDHXFCSA-N -1 3 395.413 3.440 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1(c2nccs2)CCCC1 ZINC000737941834 599165626 /nfs/dbraw/zinc/16/56/26/599165626.db2.gz FCNPWTJFGRIIMT-UHFFFAOYSA-N -1 3 386.506 3.001 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1(c2nccs2)CCCC1 ZINC000737941834 599165628 /nfs/dbraw/zinc/16/56/28/599165628.db2.gz FCNPWTJFGRIIMT-UHFFFAOYSA-N -1 3 386.506 3.001 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cnc(-c2ccccc2F)s1 ZINC000823242224 599167887 /nfs/dbraw/zinc/16/78/87/599167887.db2.gz RTJGOKAUUKCTCJ-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cnc(-c2ccccc2F)s1 ZINC000823242224 599167888 /nfs/dbraw/zinc/16/78/88/599167888.db2.gz RTJGOKAUUKCTCJ-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM c1ccc2c(c1)CC(SCc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)=N2 ZINC000738405423 599168690 /nfs/dbraw/zinc/16/86/90/599168690.db2.gz PBZGECHLBNWVSC-UHFFFAOYSA-N -1 3 375.417 3.436 20 0 GGADHM c1ccc2c(c1)CC(SCc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)=N2 ZINC000738405423 599168691 /nfs/dbraw/zinc/16/86/91/599168691.db2.gz PBZGECHLBNWVSC-UHFFFAOYSA-N -1 3 375.417 3.436 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000823235178 599169993 /nfs/dbraw/zinc/16/99/93/599169993.db2.gz SJBAPVUURFJTHY-LJQANCHMSA-N -1 3 395.438 3.323 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000823235178 599169996 /nfs/dbraw/zinc/16/99/96/599169996.db2.gz SJBAPVUURFJTHY-LJQANCHMSA-N -1 3 395.438 3.323 20 0 GGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737499440 599171110 /nfs/dbraw/zinc/17/11/10/599171110.db2.gz LJGPFKHPZYMQHD-MRXNPFEDSA-N -1 3 394.389 3.281 20 0 GGADHM Cc1ncc2c(n1)CCC[C@H]2Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737499440 599171113 /nfs/dbraw/zinc/17/11/13/599171113.db2.gz LJGPFKHPZYMQHD-MRXNPFEDSA-N -1 3 394.389 3.281 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1csc(-c2ccc(F)cc2)n1 ZINC000823241940 599172633 /nfs/dbraw/zinc/17/26/33/599172633.db2.gz LGJMRZMHQASNSC-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1csc(-c2ccc(F)cc2)n1 ZINC000823241940 599172637 /nfs/dbraw/zinc/17/26/37/599172637.db2.gz LGJMRZMHQASNSC-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000736025124 599174937 /nfs/dbraw/zinc/17/49/37/599174937.db2.gz ISPGOMZNHKUALG-NSHDSACASA-N -1 3 388.884 3.274 20 0 GGADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000736025124 599174939 /nfs/dbraw/zinc/17/49/39/599174939.db2.gz ISPGOMZNHKUALG-NSHDSACASA-N -1 3 388.884 3.274 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822194153 599176223 /nfs/dbraw/zinc/17/62/23/599176223.db2.gz KYZLMSMYJFWTAU-UHFFFAOYSA-N -1 3 383.427 3.016 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822194153 599176225 /nfs/dbraw/zinc/17/62/25/599176225.db2.gz KYZLMSMYJFWTAU-UHFFFAOYSA-N -1 3 383.427 3.016 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822554217 599177281 /nfs/dbraw/zinc/17/72/81/599177281.db2.gz WYSBJGVXKJIRMJ-UHFFFAOYSA-N -1 3 396.357 3.038 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822554217 599177283 /nfs/dbraw/zinc/17/72/83/599177283.db2.gz WYSBJGVXKJIRMJ-UHFFFAOYSA-N -1 3 396.357 3.038 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccc(F)cc2)o1 ZINC000823241653 599179812 /nfs/dbraw/zinc/17/98/12/599179812.db2.gz AOOHUDHAWITWOV-UHFFFAOYSA-N -1 3 381.342 3.335 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccc(F)cc2)o1 ZINC000823241653 599179813 /nfs/dbraw/zinc/17/98/13/599179813.db2.gz AOOHUDHAWITWOV-UHFFFAOYSA-N -1 3 381.342 3.335 20 0 GGADHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735651370 599180496 /nfs/dbraw/zinc/18/04/96/599180496.db2.gz SPDAGOUTFXCFLV-KRWDZBQOSA-N -1 3 380.452 3.019 20 0 GGADHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735651370 599180498 /nfs/dbraw/zinc/18/04/98/599180498.db2.gz SPDAGOUTFXCFLV-KRWDZBQOSA-N -1 3 380.452 3.019 20 0 GGADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2n1 ZINC000736739841 599188874 /nfs/dbraw/zinc/18/88/74/599188874.db2.gz UUQYJNRMPAATCV-UHFFFAOYSA-N -1 3 376.445 3.170 20 0 GGADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2n1 ZINC000736739841 599188877 /nfs/dbraw/zinc/18/88/77/599188877.db2.gz UUQYJNRMPAATCV-UHFFFAOYSA-N -1 3 376.445 3.170 20 0 GGADHM CO[C@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736958376 599189110 /nfs/dbraw/zinc/18/91/10/599189110.db2.gz SDOADACGEVYPIU-CYBMUJFWSA-N -1 3 385.855 3.478 20 0 GGADHM CO[C@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736958376 599189114 /nfs/dbraw/zinc/18/91/14/599189114.db2.gz SDOADACGEVYPIU-CYBMUJFWSA-N -1 3 385.855 3.478 20 0 GGADHM CS[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000821949909 599186184 /nfs/dbraw/zinc/18/61/84/599186184.db2.gz JOOAXKDZPQIBFF-GXTWGEPZSA-N -1 3 399.476 3.053 20 0 GGADHM CS[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000821949909 599186185 /nfs/dbraw/zinc/18/61/85/599186185.db2.gz JOOAXKDZPQIBFF-GXTWGEPZSA-N -1 3 399.476 3.053 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccccc2-c2nc(C)no2)c1-c1nnn[n-]1 ZINC000736676906 599186430 /nfs/dbraw/zinc/18/64/30/599186430.db2.gz VCLFPHBWOKCDAQ-UHFFFAOYSA-N -1 3 395.448 3.410 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccccc2-c2nc(C)no2)c1-c1nn[n-]n1 ZINC000736676906 599186432 /nfs/dbraw/zinc/18/64/32/599186432.db2.gz VCLFPHBWOKCDAQ-UHFFFAOYSA-N -1 3 395.448 3.410 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000820740997 599187455 /nfs/dbraw/zinc/18/74/55/599187455.db2.gz AWKYYYHUUGHZBM-ZIAGYGMSSA-N -1 3 379.489 3.500 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820740997 599187458 /nfs/dbraw/zinc/18/74/58/599187458.db2.gz AWKYYYHUUGHZBM-ZIAGYGMSSA-N -1 3 379.489 3.500 20 0 GGADHM O=C([C@H]1CCOC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737791535 599190512 /nfs/dbraw/zinc/19/05/12/599190512.db2.gz LIVSOWXNERPFLP-AWEZNQCLSA-N -1 3 383.839 3.090 20 0 GGADHM O=C([C@H]1CCOC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737791535 599190514 /nfs/dbraw/zinc/19/05/14/599190514.db2.gz LIVSOWXNERPFLP-AWEZNQCLSA-N -1 3 383.839 3.090 20 0 GGADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737336415 599191009 /nfs/dbraw/zinc/19/10/09/599191009.db2.gz CKAHYRKAMJGOGR-UHFFFAOYSA-N -1 3 376.464 3.092 20 0 GGADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737336415 599191011 /nfs/dbraw/zinc/19/10/11/599191011.db2.gz CKAHYRKAMJGOGR-UHFFFAOYSA-N -1 3 376.464 3.092 20 0 GGADHM C[C@H](CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820262493 599193011 /nfs/dbraw/zinc/19/30/11/599193011.db2.gz XBLMXDZKKQSEBM-CQSZACIVSA-N -1 3 399.545 3.397 20 0 GGADHM C[C@H](CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820262493 599193014 /nfs/dbraw/zinc/19/30/14/599193014.db2.gz XBLMXDZKKQSEBM-CQSZACIVSA-N -1 3 399.545 3.397 20 0 GGADHM Cc1ccc(OC2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000737364538 599194050 /nfs/dbraw/zinc/19/40/50/599194050.db2.gz LLSVOJBCGJFGPI-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM Cc1ccc(OC2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000737364538 599194052 /nfs/dbraw/zinc/19/40/52/599194052.db2.gz LLSVOJBCGJFGPI-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737351174 599195163 /nfs/dbraw/zinc/19/51/63/599195163.db2.gz KJEFEULDOQNGGL-HNNXBMFYSA-N -1 3 376.464 3.266 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737351174 599195166 /nfs/dbraw/zinc/19/51/66/599195166.db2.gz KJEFEULDOQNGGL-HNNXBMFYSA-N -1 3 376.464 3.266 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737352868 599195309 /nfs/dbraw/zinc/19/53/09/599195309.db2.gz STHCWFJOWKMHHS-UHFFFAOYSA-N -1 3 376.464 3.048 20 0 GGADHM Cc1ccc(N2CCCC2)c(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737352868 599195314 /nfs/dbraw/zinc/19/53/14/599195314.db2.gz STHCWFJOWKMHHS-UHFFFAOYSA-N -1 3 376.464 3.048 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc(-n2cccn2)c1 ZINC000738209107 599196315 /nfs/dbraw/zinc/19/63/15/599196315.db2.gz MAEBGWVCQOSFHB-UHFFFAOYSA-N -1 3 391.460 3.245 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc(-n2cccn2)c1 ZINC000738209107 599196319 /nfs/dbraw/zinc/19/63/19/599196319.db2.gz MAEBGWVCQOSFHB-UHFFFAOYSA-N -1 3 391.460 3.245 20 0 GGADHM CC(C)c1ccc(CCCNC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924825 599196353 /nfs/dbraw/zinc/19/63/53/599196353.db2.gz VPLULGMKWVCKCC-UHFFFAOYSA-N -1 3 379.464 3.118 20 0 GGADHM CC(C)c1ccc(CCCNC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924825 599196356 /nfs/dbraw/zinc/19/63/56/599196356.db2.gz VPLULGMKWVCKCC-UHFFFAOYSA-N -1 3 379.464 3.118 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737994506 599198103 /nfs/dbraw/zinc/19/81/03/599198103.db2.gz BVAMJOXBNBCUKB-INIZCTEOSA-N -1 3 376.445 3.037 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737994506 599198106 /nfs/dbraw/zinc/19/81/06/599198106.db2.gz BVAMJOXBNBCUKB-INIZCTEOSA-N -1 3 376.445 3.037 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000737851379 599198408 /nfs/dbraw/zinc/19/84/08/599198408.db2.gz GYNAFUYEOHMYSJ-UHFFFAOYSA-N -1 3 379.439 3.172 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000737851379 599198410 /nfs/dbraw/zinc/19/84/10/599198410.db2.gz GYNAFUYEOHMYSJ-UHFFFAOYSA-N -1 3 379.439 3.172 20 0 GGADHM CCCCCC[C@H](CC)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736447767 599194393 /nfs/dbraw/zinc/19/43/93/599194393.db2.gz UEYKZXIYDBVITG-INIZCTEOSA-N -1 3 399.543 3.343 20 0 GGADHM CCCCCC[C@H](CC)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736447767 599194396 /nfs/dbraw/zinc/19/43/96/599194396.db2.gz UEYKZXIYDBVITG-INIZCTEOSA-N -1 3 399.543 3.343 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000736674553 599194633 /nfs/dbraw/zinc/19/46/33/599194633.db2.gz DIFXDYRATBNCNU-UHFFFAOYSA-N -1 3 379.449 3.237 20 0 GGADHM CCc1c(C)sc(NC(=O)c2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000736674553 599194635 /nfs/dbraw/zinc/19/46/35/599194635.db2.gz DIFXDYRATBNCNU-UHFFFAOYSA-N -1 3 379.449 3.237 20 0 GGADHM CCC(CC)(CNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)SC ZINC000820887869 599199372 /nfs/dbraw/zinc/19/93/72/599199372.db2.gz VOUZDIORJCAXGR-MRXNPFEDSA-N -1 3 391.541 3.308 20 0 GGADHM CCC(CC)(CNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)SC ZINC000820887869 599199373 /nfs/dbraw/zinc/19/93/73/599199373.db2.gz VOUZDIORJCAXGR-MRXNPFEDSA-N -1 3 391.541 3.308 20 0 GGADHM CN(C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC000736741041 599201804 /nfs/dbraw/zinc/20/18/04/599201804.db2.gz LJNDADXUGXOOPU-AWEZNQCLSA-N -1 3 399.838 3.173 20 0 GGADHM CN(C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC000736741041 599201805 /nfs/dbraw/zinc/20/18/05/599201805.db2.gz LJNDADXUGXOOPU-AWEZNQCLSA-N -1 3 399.838 3.173 20 0 GGADHM CC1(C)CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820596439 599204059 /nfs/dbraw/zinc/20/40/59/599204059.db2.gz PPRPSMYNCHZAKF-UHFFFAOYSA-N -1 3 377.448 3.318 20 0 GGADHM C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2cc(Cl)ccc2O1 ZINC000820733651 599204591 /nfs/dbraw/zinc/20/45/91/599204591.db2.gz HSTVBKDTFNKYBD-PWWFUAJNSA-N -1 3 381.823 3.347 20 0 GGADHM C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2cc(Cl)ccc2O1 ZINC000820733651 599204594 /nfs/dbraw/zinc/20/45/94/599204594.db2.gz HSTVBKDTFNKYBD-PWWFUAJNSA-N -1 3 381.823 3.347 20 0 GGADHM C[C@@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2cc(Cl)ccc2O1 ZINC000820735015 599204673 /nfs/dbraw/zinc/20/46/73/599204673.db2.gz PLAJZCSRIJTJIJ-GFCCVEGCSA-N -1 3 383.839 3.267 20 0 GGADHM C[C@@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2cc(Cl)ccc2O1 ZINC000820735015 599204677 /nfs/dbraw/zinc/20/46/77/599204677.db2.gz PLAJZCSRIJTJIJ-GFCCVEGCSA-N -1 3 383.839 3.267 20 0 GGADHM COCCN(C(=O)c1ccc(CC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989035 599204936 /nfs/dbraw/zinc/20/49/36/599204936.db2.gz UOWMEEUOWNNIQX-UHFFFAOYSA-N -1 3 379.464 3.358 20 0 GGADHM COCCN(C(=O)c1ccc(CC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989035 599204937 /nfs/dbraw/zinc/20/49/37/599204937.db2.gz UOWMEEUOWNNIQX-UHFFFAOYSA-N -1 3 379.464 3.358 20 0 GGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000822236416 599205332 /nfs/dbraw/zinc/20/53/32/599205332.db2.gz YNPXQQXOXAMZCA-INIZCTEOSA-N -1 3 397.504 3.101 20 0 GGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000822236416 599205333 /nfs/dbraw/zinc/20/53/33/599205333.db2.gz YNPXQQXOXAMZCA-INIZCTEOSA-N -1 3 397.504 3.101 20 0 GGADHM COCCN(C(=O)c1cc(C)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988404 599205541 /nfs/dbraw/zinc/20/55/41/599205541.db2.gz LYSSHWLYXGNONU-UHFFFAOYSA-N -1 3 388.431 3.017 20 0 GGADHM COCCN(C(=O)c1cc(C)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988404 599205542 /nfs/dbraw/zinc/20/55/42/599205542.db2.gz LYSSHWLYXGNONU-UHFFFAOYSA-N -1 3 388.431 3.017 20 0 GGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1sccc1-c1nnn[n-]1 ZINC000823375820 599202727 /nfs/dbraw/zinc/20/27/27/599202727.db2.gz LBMOJNOVEAPGHX-UHFFFAOYSA-N -1 3 385.840 3.079 20 0 GGADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1sccc1-c1nn[n-]n1 ZINC000823375820 599202729 /nfs/dbraw/zinc/20/27/29/599202729.db2.gz LBMOJNOVEAPGHX-UHFFFAOYSA-N -1 3 385.840 3.079 20 0 GGADHM CCc1ccc([C@H](C)C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736685617 599202798 /nfs/dbraw/zinc/20/27/98/599202798.db2.gz HXKVUTDAMXRQNT-HNNXBMFYSA-N -1 3 379.464 3.212 20 0 GGADHM CCc1ccc([C@H](C)C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736685617 599202801 /nfs/dbraw/zinc/20/28/01/599202801.db2.gz HXKVUTDAMXRQNT-HNNXBMFYSA-N -1 3 379.464 3.212 20 0 GGADHM Cc1cc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)ncn1 ZINC000737275419 599207024 /nfs/dbraw/zinc/20/70/24/599207024.db2.gz UXISYFZIARCEFU-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM Cc1cc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)ncn1 ZINC000737275419 599207026 /nfs/dbraw/zinc/20/70/26/599207026.db2.gz UXISYFZIARCEFU-UHFFFAOYSA-N -1 3 389.444 3.369 20 0 GGADHM C[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000736123895 599208418 /nfs/dbraw/zinc/20/84/18/599208418.db2.gz RWVFBKIRVLKSRH-UONOGXRCSA-N -1 3 395.488 3.173 20 0 GGADHM C[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000736123895 599208420 /nfs/dbraw/zinc/20/84/20/599208420.db2.gz RWVFBKIRVLKSRH-UONOGXRCSA-N -1 3 395.488 3.173 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736350639 599210046 /nfs/dbraw/zinc/21/00/46/599210046.db2.gz MEZYOSBZUKVZNW-MAUKXSAKSA-N -1 3 379.464 3.114 20 0 GGADHM CC[C@@H](C)[C@@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736319498 599211664 /nfs/dbraw/zinc/21/16/64/599211664.db2.gz LQWGTBQSBNATTO-DNVCBOLYSA-N -1 3 379.464 3.192 20 0 GGADHM CC(C)C[C@@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735758253 599218755 /nfs/dbraw/zinc/21/87/55/599218755.db2.gz YUWUTHDAGVVVGV-LJQANCHMSA-N -1 3 379.464 3.192 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738160826 599220365 /nfs/dbraw/zinc/22/03/65/599220365.db2.gz CLUWGXIERKDDDZ-UHFFFAOYSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738160826 599220367 /nfs/dbraw/zinc/22/03/67/599220367.db2.gz CLUWGXIERKDDDZ-UHFFFAOYSA-N -1 3 384.390 3.384 20 0 GGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821480935 599220571 /nfs/dbraw/zinc/22/05/71/599220571.db2.gz GGHSCRYIGXXBOB-RDTXWAMCSA-N -1 3 395.463 3.401 20 0 GGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821480935 599220575 /nfs/dbraw/zinc/22/05/75/599220575.db2.gz GGHSCRYIGXXBOB-RDTXWAMCSA-N -1 3 395.463 3.401 20 0 GGADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821481762 599220881 /nfs/dbraw/zinc/22/08/81/599220881.db2.gz NGGCTYDMXGOIDW-RDTXWAMCSA-N -1 3 394.479 3.434 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)Nc1ccc2c(c1)OCO2 ZINC000735874579 599221367 /nfs/dbraw/zinc/22/13/67/599221367.db2.gz RECNODGOOVQALM-UHFFFAOYSA-N -1 3 396.476 3.203 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)Nc1ccc2c(c1)OCO2 ZINC000735874579 599221370 /nfs/dbraw/zinc/22/13/70/599221370.db2.gz RECNODGOOVQALM-UHFFFAOYSA-N -1 3 396.476 3.203 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000736183137 599222136 /nfs/dbraw/zinc/22/21/36/599222136.db2.gz RNNJUGGEZDOGSB-SOLBZPMBSA-N -1 3 391.475 3.286 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000736183137 599222137 /nfs/dbraw/zinc/22/21/37/599222137.db2.gz RNNJUGGEZDOGSB-SOLBZPMBSA-N -1 3 391.475 3.286 20 0 GGADHM C[C@@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000736281962 599222583 /nfs/dbraw/zinc/22/25/83/599222583.db2.gz VMVKSNXMSNKSHC-OXQOHEQNSA-N -1 3 375.476 3.452 20 0 GGADHM C[C@@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736281962 599222586 /nfs/dbraw/zinc/22/25/86/599222586.db2.gz VMVKSNXMSNKSHC-OXQOHEQNSA-N -1 3 375.476 3.452 20 0 GGADHM CN(CC1CCCCC1)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000821596343 599223354 /nfs/dbraw/zinc/22/33/54/599223354.db2.gz HKZRIUFEDCTJAB-UHFFFAOYSA-N -1 3 377.489 3.278 20 0 GGADHM CN(CC1CCCCC1)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000821596343 599223357 /nfs/dbraw/zinc/22/33/57/599223357.db2.gz HKZRIUFEDCTJAB-UHFFFAOYSA-N -1 3 377.489 3.278 20 0 GGADHM CC(C)Oc1ccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735912461 599223594 /nfs/dbraw/zinc/22/35/94/599223594.db2.gz DIOHSCJQFGBGQO-LJQANCHMSA-N -1 3 393.447 3.228 20 0 GGADHM O=C(CCSCc1cccc(F)c1F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822974267 599224182 /nfs/dbraw/zinc/22/41/82/599224182.db2.gz DTHXXEVLUZXVTP-UHFFFAOYSA-N -1 3 375.404 3.407 20 0 GGADHM O=C(CCSCc1cccc(F)c1F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822974267 599224184 /nfs/dbraw/zinc/22/41/84/599224184.db2.gz DTHXXEVLUZXVTP-UHFFFAOYSA-N -1 3 375.404 3.407 20 0 GGADHM Cc1ccccc1[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000737421512 599224392 /nfs/dbraw/zinc/22/43/92/599224392.db2.gz JTWMKBUEXVRSOA-ZKASZLPCSA-N -1 3 389.459 3.177 20 0 GGADHM Cc1ccccc1[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H](C)CO1 ZINC000737421512 599224393 /nfs/dbraw/zinc/22/43/93/599224393.db2.gz JTWMKBUEXVRSOA-ZKASZLPCSA-N -1 3 389.459 3.177 20 0 GGADHM c1ccc(-c2nnc(CSCCOc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823766578 599224874 /nfs/dbraw/zinc/22/48/74/599224874.db2.gz FKAKVRCHDMNEER-UHFFFAOYSA-N -1 3 380.433 3.229 20 0 GGADHM c1ccc(-c2nnc(CSCCOc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823766578 599224876 /nfs/dbraw/zinc/22/48/76/599224876.db2.gz FKAKVRCHDMNEER-UHFFFAOYSA-N -1 3 380.433 3.229 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC[C@H]1CCc2ccccc2C1 ZINC000737931158 599225118 /nfs/dbraw/zinc/22/51/18/599225118.db2.gz FRHPWYZLDVUXBX-INIZCTEOSA-N -1 3 393.516 3.021 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCc2ccccc2C1 ZINC000737931158 599225120 /nfs/dbraw/zinc/22/51/20/599225120.db2.gz FRHPWYZLDVUXBX-INIZCTEOSA-N -1 3 393.516 3.021 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)N(C1CC1)C1CCCC1 ZINC000823060911 599225250 /nfs/dbraw/zinc/22/52/50/599225250.db2.gz OFDGDZWGKZIXAA-UHFFFAOYSA-N -1 3 375.473 3.173 20 0 GGADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC000823060911 599225253 /nfs/dbraw/zinc/22/52/53/599225253.db2.gz OFDGDZWGKZIXAA-UHFFFAOYSA-N -1 3 375.473 3.173 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(Br)cc1 ZINC000737800060 599225417 /nfs/dbraw/zinc/22/54/17/599225417.db2.gz KEFJYBQXWAELBH-YFHOEESVSA-N -1 3 398.264 3.001 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccc(Br)cc1 ZINC000737800060 599225418 /nfs/dbraw/zinc/22/54/18/599225418.db2.gz KEFJYBQXWAELBH-YFHOEESVSA-N -1 3 398.264 3.001 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1sc(C)nc1C ZINC000821702011 599226208 /nfs/dbraw/zinc/22/62/08/599226208.db2.gz DQEHILGRRHKTNE-UHFFFAOYSA-N -1 3 377.495 3.261 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1sc(C)nc1C ZINC000821702011 599226211 /nfs/dbraw/zinc/22/62/11/599226211.db2.gz DQEHILGRRHKTNE-UHFFFAOYSA-N -1 3 377.495 3.261 20 0 GGADHM O=C([O-])N1CCC[C@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000739927773 599860812 /nfs/dbraw/zinc/86/08/12/599860812.db2.gz RJIUUAYQZCIDRT-NSHDSACASA-N -1 3 379.201 3.283 20 0 GGADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)ccc1Cl ZINC000823567886 599232121 /nfs/dbraw/zinc/23/21/21/599232121.db2.gz WUQOECSKLZREBC-UHFFFAOYSA-N -1 3 383.260 3.289 20 0 GGADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Cl)ccc1Cl ZINC000823567886 599232122 /nfs/dbraw/zinc/23/21/22/599232122.db2.gz WUQOECSKLZREBC-UHFFFAOYSA-N -1 3 383.260 3.289 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736353653 599232663 /nfs/dbraw/zinc/23/26/63/599232663.db2.gz PEYOQAIAONAKRP-AEFFLSMTSA-N -1 3 393.491 3.422 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736353653 599232665 /nfs/dbraw/zinc/23/26/65/599232665.db2.gz PEYOQAIAONAKRP-AEFFLSMTSA-N -1 3 393.491 3.422 20 0 GGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823140385 607263425 /nfs/dbraw/zinc/26/34/25/607263425.db2.gz UUDVOCBGWUSSFM-AWEZNQCLSA-N -1 3 389.246 3.450 20 0 GGADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823140385 607263426 /nfs/dbraw/zinc/26/34/26/607263426.db2.gz UUDVOCBGWUSSFM-AWEZNQCLSA-N -1 3 389.246 3.450 20 0 GGADHM CCC(CC)n1ccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820897473 607264191 /nfs/dbraw/zinc/26/41/91/607264191.db2.gz GFQCKNQKMUWEAA-UHFFFAOYSA-N -1 3 384.440 3.050 20 0 GGADHM C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397571 607264211 /nfs/dbraw/zinc/26/42/11/607264211.db2.gz QNVCGSMMHHDMMV-LLVKDONJSA-N -1 3 391.353 3.299 20 0 GGADHM C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397571 607264212 /nfs/dbraw/zinc/26/42/12/607264212.db2.gz QNVCGSMMHHDMMV-LLVKDONJSA-N -1 3 391.353 3.299 20 0 GGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(CC(F)(F)F)c1ccccc1 ZINC000823498730 607264214 /nfs/dbraw/zinc/26/42/14/607264214.db2.gz ZLOXXOOVDKOJME-UHFFFAOYSA-N -1 3 382.733 3.124 20 0 GGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(CC(F)(F)F)c1ccccc1 ZINC000823498730 607264215 /nfs/dbraw/zinc/26/42/15/607264215.db2.gz ZLOXXOOVDKOJME-UHFFFAOYSA-N -1 3 382.733 3.124 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823426627 607265187 /nfs/dbraw/zinc/26/51/87/607265187.db2.gz MJURTXNKTASKIY-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823426627 607265188 /nfs/dbraw/zinc/26/51/88/607265188.db2.gz MJURTXNKTASKIY-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM CCCC[C@@H](CC)CC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736439049 599228582 /nfs/dbraw/zinc/22/85/82/599228582.db2.gz MDCKESOUOUOIKK-OAHLLOKOSA-N -1 3 388.491 3.261 20 0 GGADHM CCCC[C@@H](CC)CC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736439049 599228585 /nfs/dbraw/zinc/22/85/85/599228585.db2.gz MDCKESOUOUOIKK-OAHLLOKOSA-N -1 3 388.491 3.261 20 0 GGADHM CC[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000736408852 599228682 /nfs/dbraw/zinc/22/86/82/599228682.db2.gz KJYWYZPCYULVJO-MRXNPFEDSA-N -1 3 395.488 3.304 20 0 GGADHM CC[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736408852 599228685 /nfs/dbraw/zinc/22/86/85/599228685.db2.gz KJYWYZPCYULVJO-MRXNPFEDSA-N -1 3 395.488 3.304 20 0 GGADHM CC[C@@H](NC(=S)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccs1 ZINC000820919984 599228687 /nfs/dbraw/zinc/22/86/87/599228687.db2.gz INHMZHLFCNZARV-CYBMUJFWSA-N -1 3 376.486 3.183 20 0 GGADHM CC[C@@H](NC(=S)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccs1 ZINC000820919984 599228690 /nfs/dbraw/zinc/22/86/90/599228690.db2.gz INHMZHLFCNZARV-CYBMUJFWSA-N -1 3 376.486 3.183 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000823303046 607265793 /nfs/dbraw/zinc/26/57/93/607265793.db2.gz CPRLWPPSTZMPKO-UHFFFAOYSA-N -1 3 398.810 3.060 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000823303046 607265794 /nfs/dbraw/zinc/26/57/94/607265794.db2.gz CPRLWPPSTZMPKO-UHFFFAOYSA-N -1 3 398.810 3.060 20 0 GGADHM Cc1c(NC(=O)c2cccc(OCc3cscn3)c2)cccc1-c1nnn[n-]1 ZINC000822110167 607268045 /nfs/dbraw/zinc/26/80/45/607268045.db2.gz YJXSNFFWSHECIY-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1c(NC(=O)c2cccc(OCc3cscn3)c2)cccc1-c1nn[n-]n1 ZINC000822110167 607268046 /nfs/dbraw/zinc/26/80/46/607268046.db2.gz YJXSNFFWSHECIY-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM Cc1nc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)sc1C ZINC000822444283 599239416 /nfs/dbraw/zinc/23/94/16/599239416.db2.gz KGIFAMNGZYGIFF-UHFFFAOYSA-N -1 3 379.902 3.080 20 0 GGADHM Cc1nc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)sc1C ZINC000822444283 599239417 /nfs/dbraw/zinc/23/94/17/599239417.db2.gz KGIFAMNGZYGIFF-UHFFFAOYSA-N -1 3 379.902 3.080 20 0 GGADHM Cc1c(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822065933 607269741 /nfs/dbraw/zinc/26/97/41/607269741.db2.gz BWEWGXJMJLZIHF-UHFFFAOYSA-N -1 3 388.472 3.197 20 0 GGADHM Cc1c(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822065933 607269742 /nfs/dbraw/zinc/26/97/42/607269742.db2.gz BWEWGXJMJLZIHF-UHFFFAOYSA-N -1 3 388.472 3.197 20 0 GGADHM CC(C)C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735769926 599240805 /nfs/dbraw/zinc/24/08/05/599240805.db2.gz JLOUPZWVUCYXNM-HNNXBMFYSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735769926 599240807 /nfs/dbraw/zinc/24/08/07/599240807.db2.gz JLOUPZWVUCYXNM-HNNXBMFYSA-N -1 3 396.451 3.188 20 0 GGADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c2)n1 ZINC000822198957 607270035 /nfs/dbraw/zinc/27/00/35/607270035.db2.gz QAXYLZVQZYAQRL-UHFFFAOYSA-N -1 3 387.447 3.289 20 0 GGADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c2)n1 ZINC000822198957 607270036 /nfs/dbraw/zinc/27/00/36/607270036.db2.gz QAXYLZVQZYAQRL-UHFFFAOYSA-N -1 3 387.447 3.289 20 0 GGADHM CC(C)[C@@H]1CCCCN1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735747139 599243429 /nfs/dbraw/zinc/24/34/29/599243429.db2.gz BTFPHMRRCLKRNN-KRWDZBQOSA-N -1 3 388.541 3.320 20 0 GGADHM CC(C)[C@@H]1CCCCN1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735747139 599243430 /nfs/dbraw/zinc/24/34/30/599243430.db2.gz BTFPHMRRCLKRNN-KRWDZBQOSA-N -1 3 388.541 3.320 20 0 GGADHM Cc1c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cccc1-c1nnn[n-]1 ZINC000822115770 607269059 /nfs/dbraw/zinc/26/90/59/607269059.db2.gz IVYBGZVIMGHVMB-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cccc1-c1nn[n-]n1 ZINC000822115770 607269060 /nfs/dbraw/zinc/26/90/60/607269060.db2.gz IVYBGZVIMGHVMB-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000736482310 599244318 /nfs/dbraw/zinc/24/43/18/599244318.db2.gz ZASKOQAVGCYFKV-IRXDYDNUSA-N -1 3 388.541 3.463 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000736482310 599244320 /nfs/dbraw/zinc/24/43/20/599244320.db2.gz ZASKOQAVGCYFKV-IRXDYDNUSA-N -1 3 388.541 3.463 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000823238905 599244560 /nfs/dbraw/zinc/24/45/60/599244560.db2.gz SYMHWRCWBFBBAU-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000823238905 599244562 /nfs/dbraw/zinc/24/45/62/599244562.db2.gz SYMHWRCWBFBBAU-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000823216062 599244951 /nfs/dbraw/zinc/24/49/51/599244951.db2.gz XSMKEFOQDBBVKO-UHFFFAOYSA-N -1 3 392.341 3.086 20 0 GGADHM Cc1c(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822044522 607272842 /nfs/dbraw/zinc/27/28/42/607272842.db2.gz KPRKHOVRSWRJIO-QGZVFWFLSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1c(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822044522 607272843 /nfs/dbraw/zinc/27/28/43/607272843.db2.gz KPRKHOVRSWRJIO-QGZVFWFLSA-N -1 3 392.463 3.017 20 0 GGADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(C)nn(C)c1C ZINC000820921253 599246855 /nfs/dbraw/zinc/24/68/55/599246855.db2.gz XNEZKLWDNSKBLM-AWEZNQCLSA-N -1 3 388.863 3.143 20 0 GGADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)nn(C)c1C ZINC000820921253 599246858 /nfs/dbraw/zinc/24/68/58/599246858.db2.gz XNEZKLWDNSKBLM-AWEZNQCLSA-N -1 3 388.863 3.143 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736233701 599247025 /nfs/dbraw/zinc/24/70/25/599247025.db2.gz GSWMQIWKUISLRR-LWLIDHTLSA-N -1 3 396.882 3.446 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821347571 599247326 /nfs/dbraw/zinc/24/73/26/599247326.db2.gz YIJAPOJLSDBKJC-NSHDSACASA-N -1 3 387.469 3.085 20 0 GGADHM CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821347571 599247327 /nfs/dbraw/zinc/24/73/27/599247327.db2.gz YIJAPOJLSDBKJC-NSHDSACASA-N -1 3 387.469 3.085 20 0 GGADHM C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820287815 599249129 /nfs/dbraw/zinc/24/91/29/599249129.db2.gz QISQFHZCMFMWAF-LBPRGKRZSA-N -1 3 386.843 3.247 20 0 GGADHM C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820287815 599249132 /nfs/dbraw/zinc/24/91/32/599249132.db2.gz QISQFHZCMFMWAF-LBPRGKRZSA-N -1 3 386.843 3.247 20 0 GGADHM CCc1ccc([C@H](COC)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000821481771 599249694 /nfs/dbraw/zinc/24/96/94/599249694.db2.gz NQIVECSFABCNES-AWEZNQCLSA-N -1 3 390.831 3.185 20 0 GGADHM CCc1ccc([C@H](COC)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000821481771 599249696 /nfs/dbraw/zinc/24/96/96/599249696.db2.gz NQIVECSFABCNES-AWEZNQCLSA-N -1 3 390.831 3.185 20 0 GGADHM COc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000737103915 599251484 /nfs/dbraw/zinc/25/14/84/599251484.db2.gz KYVHGOPGJKQBPE-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cccc1-c1nnn[n-]1 ZINC000822089955 607280606 /nfs/dbraw/zinc/28/06/06/607280606.db2.gz HYAKAGDIKQQYSZ-HNNXBMFYSA-N -1 3 395.442 3.105 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cccc1-c1nn[n-]n1 ZINC000822089955 607280607 /nfs/dbraw/zinc/28/06/07/607280607.db2.gz HYAKAGDIKQQYSZ-HNNXBMFYSA-N -1 3 395.442 3.105 20 0 GGADHM COc1cc(C)c([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000821708105 607281239 /nfs/dbraw/zinc/28/12/39/607281239.db2.gz KIEBPLKRTSKFPN-ZDUSSCGKSA-N -1 3 396.451 3.383 20 0 GGADHM COc1cc(C)c([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000821708105 607281240 /nfs/dbraw/zinc/28/12/40/607281240.db2.gz KIEBPLKRTSKFPN-ZDUSSCGKSA-N -1 3 396.451 3.383 20 0 GGADHM Cc1ccc(C)c(N2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)c1 ZINC000822231711 607281922 /nfs/dbraw/zinc/28/19/22/607281922.db2.gz DXWIIKROOQGFMK-UHFFFAOYSA-N -1 3 391.479 3.146 20 0 GGADHM Cc1ccc(C)c(N2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)c1 ZINC000822231711 607281923 /nfs/dbraw/zinc/28/19/23/607281923.db2.gz DXWIIKROOQGFMK-UHFFFAOYSA-N -1 3 391.479 3.146 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cccc1-c1nnn[n-]1 ZINC000822083767 607282251 /nfs/dbraw/zinc/28/22/51/607282251.db2.gz DQWCKQZIXRZMGM-AWEZNQCLSA-N -1 3 382.428 3.051 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cccc1-c1nn[n-]n1 ZINC000822083767 607282252 /nfs/dbraw/zinc/28/22/52/607282252.db2.gz DQWCKQZIXRZMGM-AWEZNQCLSA-N -1 3 382.428 3.051 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)cccc1-c1nnn[n-]1 ZINC000822075634 607288170 /nfs/dbraw/zinc/28/81/70/607288170.db2.gz GPFLCCUUQVPTIN-UHFFFAOYSA-N -1 3 397.386 3.314 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)cccc1-c1nn[n-]n1 ZINC000822075634 607288171 /nfs/dbraw/zinc/28/81/71/607288171.db2.gz GPFLCCUUQVPTIN-UHFFFAOYSA-N -1 3 397.386 3.314 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CCN1Cc1ccccc1 ZINC000818101771 597323195 /nfs/dbraw/zinc/32/31/95/597323195.db2.gz IBSJDOOBTWOYMC-KRWDZBQOSA-N -1 3 381.476 3.442 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819818035 599256599 /nfs/dbraw/zinc/25/65/99/599256599.db2.gz OSOFTHQRJDAMOE-JTQLQIEISA-N -1 3 399.842 3.361 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819818035 599256600 /nfs/dbraw/zinc/25/66/00/599256600.db2.gz OSOFTHQRJDAMOE-JTQLQIEISA-N -1 3 399.842 3.361 20 0 GGADHM Cc1c(NC(=O)NCc2ccccc2OC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822102874 607289276 /nfs/dbraw/zinc/28/92/76/607289276.db2.gz DVIZDYPAMKJSLA-UHFFFAOYSA-N -1 3 392.341 3.395 20 0 GGADHM Cc1c(NC(=O)NCc2ccccc2OC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822102874 607289277 /nfs/dbraw/zinc/28/92/77/607289277.db2.gz DVIZDYPAMKJSLA-UHFFFAOYSA-N -1 3 392.341 3.395 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)Nc3cccc(-c4nnn[n-]4)c3C)co2)cc1 ZINC000822213998 607285998 /nfs/dbraw/zinc/28/59/98/607285998.db2.gz KXMFGHKPVCHLLS-UHFFFAOYSA-N -1 3 389.419 3.460 20 0 GGADHM Cc1ccc(-c2nc(CNC(=O)Nc3cccc(-c4nn[n-]n4)c3C)co2)cc1 ZINC000822213998 607285999 /nfs/dbraw/zinc/28/59/99/607285999.db2.gz KXMFGHKPVCHLLS-UHFFFAOYSA-N -1 3 389.419 3.460 20 0 GGADHM Cc1c(NC(=O)N[C@@H](COCC(C)C)c2ccco2)cccc1-c1nnn[n-]1 ZINC000822091940 607286808 /nfs/dbraw/zinc/28/68/08/607286808.db2.gz VCADBJJCNWKIAD-INIZCTEOSA-N -1 3 384.440 3.304 20 0 GGADHM Cc1c(NC(=O)N[C@@H](COCC(C)C)c2ccco2)cccc1-c1nn[n-]n1 ZINC000822091940 607286809 /nfs/dbraw/zinc/28/68/09/607286809.db2.gz VCADBJJCNWKIAD-INIZCTEOSA-N -1 3 384.440 3.304 20 0 GGADHM COCCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H](C)c1ccccc1 ZINC000821688782 607287021 /nfs/dbraw/zinc/28/70/21/607287021.db2.gz ZUXCRJSVKNBFJF-HNNXBMFYSA-N -1 3 380.452 3.417 20 0 GGADHM COCCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H](C)c1ccccc1 ZINC000821688782 607287022 /nfs/dbraw/zinc/28/70/22/607287022.db2.gz ZUXCRJSVKNBFJF-HNNXBMFYSA-N -1 3 380.452 3.417 20 0 GGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821492153 607287092 /nfs/dbraw/zinc/28/70/92/607287092.db2.gz INCAQTNZZSBPTP-KRWDZBQOSA-N -1 3 378.436 3.383 20 0 GGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821492153 607287093 /nfs/dbraw/zinc/28/70/93/607287093.db2.gz INCAQTNZZSBPTP-KRWDZBQOSA-N -1 3 378.436 3.383 20 0 GGADHM Cc1c(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cccc1-c1nnn[n-]1 ZINC000822091094 607287241 /nfs/dbraw/zinc/28/72/41/607287241.db2.gz NTDXQRFVTVNYFV-UHFFFAOYSA-N -1 3 391.410 3.386 20 0 GGADHM Cc1c(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cccc1-c1nn[n-]n1 ZINC000822091094 607287242 /nfs/dbraw/zinc/28/72/42/607287242.db2.gz NTDXQRFVTVNYFV-UHFFFAOYSA-N -1 3 391.410 3.386 20 0 GGADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccncc1 ZINC000820920418 599262610 /nfs/dbraw/zinc/26/26/10/599262610.db2.gz PSFNPNWKYGHJDJ-HNNXBMFYSA-N -1 3 381.440 3.322 20 0 GGADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccncc1 ZINC000820920418 599262614 /nfs/dbraw/zinc/26/26/14/599262614.db2.gz PSFNPNWKYGHJDJ-HNNXBMFYSA-N -1 3 381.440 3.322 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084537 607291676 /nfs/dbraw/zinc/29/16/76/607291676.db2.gz MIUMHACPSBFJET-INIZCTEOSA-N -1 3 377.452 3.284 20 0 GGADHM Cc1c(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084537 607291677 /nfs/dbraw/zinc/29/16/77/607291677.db2.gz MIUMHACPSBFJET-INIZCTEOSA-N -1 3 377.452 3.284 20 0 GGADHM COCCN(Cc1ccc(C)cc1C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821690459 607292206 /nfs/dbraw/zinc/29/22/06/607292206.db2.gz MSTRBZWBBGJFAB-UHFFFAOYSA-N -1 3 394.479 3.472 20 0 GGADHM COCCN(Cc1ccc(C)cc1C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821690459 607292207 /nfs/dbraw/zinc/29/22/07/607292207.db2.gz MSTRBZWBBGJFAB-UHFFFAOYSA-N -1 3 394.479 3.472 20 0 GGADHM Cc1cc(OC(C)C)ccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822210509 599258717 /nfs/dbraw/zinc/25/87/17/599258717.db2.gz FNSNTJIKTGJLID-UHFFFAOYSA-N -1 3 384.415 3.423 20 0 GGADHM Cc1cc(OC(C)C)ccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822210509 599258719 /nfs/dbraw/zinc/25/87/19/599258719.db2.gz FNSNTJIKTGJLID-UHFFFAOYSA-N -1 3 384.415 3.423 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000820524811 607293550 /nfs/dbraw/zinc/29/35/50/607293550.db2.gz AFYGRHLDCAABQI-SCLBCKFNSA-N -1 3 377.448 3.173 20 0 GGADHM Cc1c(NC(=O)c2ccc(Br)cc2F)cccc1-c1nnn[n-]1 ZINC000822108463 607294148 /nfs/dbraw/zinc/29/41/48/607294148.db2.gz JRWKLTZJWCWLII-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1c(NC(=O)c2ccc(Br)cc2F)cccc1-c1nn[n-]n1 ZINC000822108463 607294149 /nfs/dbraw/zinc/29/41/49/607294149.db2.gz JRWKLTZJWCWLII-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1c(NC(=O)c2c(F)cc(Br)cc2F)cccc1-c1nnn[n-]1 ZINC000822104647 607294234 /nfs/dbraw/zinc/29/42/34/607294234.db2.gz PKAPDMADYYGLGY-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1c(NC(=O)c2c(F)cc(Br)cc2F)cccc1-c1nn[n-]n1 ZINC000822104647 607294235 /nfs/dbraw/zinc/29/42/35/607294235.db2.gz PKAPDMADYYGLGY-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1c(NC(=O)CSc2ccc(C(F)(F)F)cn2)cccc1-c1nnn[n-]1 ZINC000822075394 607294272 /nfs/dbraw/zinc/29/42/72/607294272.db2.gz DMHDCGKOJJZWPA-UHFFFAOYSA-N -1 3 394.382 3.320 20 0 GGADHM Cc1c(NC(=O)CSc2ccc(C(F)(F)F)cn2)cccc1-c1nn[n-]n1 ZINC000822075394 607294273 /nfs/dbraw/zinc/29/42/73/607294273.db2.gz DMHDCGKOJJZWPA-UHFFFAOYSA-N -1 3 394.382 3.320 20 0 GGADHM Cc1c(NC(=O)c2cccc(OCc3cccnc3)c2)cccc1-c1nnn[n-]1 ZINC000822109024 607295947 /nfs/dbraw/zinc/29/59/47/607295947.db2.gz OUEANHVKPWCEQX-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1c(NC(=O)c2cccc(OCc3cccnc3)c2)cccc1-c1nn[n-]n1 ZINC000822109024 607295948 /nfs/dbraw/zinc/29/59/48/607295948.db2.gz OUEANHVKPWCEQX-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1c(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cccc1-c1nnn[n-]1 ZINC000822116295 607296124 /nfs/dbraw/zinc/29/61/24/607296124.db2.gz PDXHACGCTRZBHV-UHFFFAOYSA-N -1 3 385.431 3.491 20 0 GGADHM Cc1c(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cccc1-c1nn[n-]n1 ZINC000822116295 607296125 /nfs/dbraw/zinc/29/61/25/607296125.db2.gz PDXHACGCTRZBHV-UHFFFAOYSA-N -1 3 385.431 3.491 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2NCCSc1ccccc1 ZINC000737661628 599260113 /nfs/dbraw/zinc/26/01/13/599260113.db2.gz ZRTZOTJLODCPLQ-UHFFFAOYSA-N -1 3 384.415 3.319 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2NCCSc1ccccc1 ZINC000737661628 599260115 /nfs/dbraw/zinc/26/01/15/599260115.db2.gz ZRTZOTJLODCPLQ-UHFFFAOYSA-N -1 3 384.415 3.319 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737504300 599260290 /nfs/dbraw/zinc/26/02/90/599260290.db2.gz RUYYHJNNJDYMLC-UHFFFAOYSA-N -1 3 396.458 3.251 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737504300 599260292 /nfs/dbraw/zinc/26/02/92/599260292.db2.gz RUYYHJNNJDYMLC-UHFFFAOYSA-N -1 3 396.458 3.251 20 0 GGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820697071 607298769 /nfs/dbraw/zinc/29/87/69/607298769.db2.gz DTQXXQRPPYKFQZ-PBHICJAKSA-N -1 3 384.484 3.013 20 0 GGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820697071 607298770 /nfs/dbraw/zinc/29/87/70/607298770.db2.gz DTQXXQRPPYKFQZ-PBHICJAKSA-N -1 3 384.484 3.013 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)Nc1ccc2[nH]ccc2c1 ZINC000822955214 607299194 /nfs/dbraw/zinc/29/91/94/607299194.db2.gz MLMYFJWZHDUTDR-UHFFFAOYSA-N -1 3 389.419 3.096 20 0 GGADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)Nc1ccc2[nH]ccc2c1 ZINC000822955214 607299195 /nfs/dbraw/zinc/29/91/95/607299195.db2.gz MLMYFJWZHDUTDR-UHFFFAOYSA-N -1 3 389.419 3.096 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822225326 607299259 /nfs/dbraw/zinc/29/92/59/607299259.db2.gz YNSDNIKQXSKPDF-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822225326 607299260 /nfs/dbraw/zinc/29/92/60/607299260.db2.gz YNSDNIKQXSKPDF-UHFFFAOYSA-N -1 3 393.632 3.238 20 0 GGADHM CC(C)[C@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820017491 607299420 /nfs/dbraw/zinc/29/94/20/607299420.db2.gz YIULBYYKGNNVGX-AWEZNQCLSA-N -1 3 384.484 3.011 20 0 GGADHM CC(C)[C@H](C)N(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820017491 607299421 /nfs/dbraw/zinc/29/94/21/607299421.db2.gz YIULBYYKGNNVGX-AWEZNQCLSA-N -1 3 384.484 3.011 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000820152425 599260909 /nfs/dbraw/zinc/26/09/09/599260909.db2.gz XOQFUSGWWHKSEJ-VXGBXAGGSA-N -1 3 376.486 3.012 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000820152425 599260910 /nfs/dbraw/zinc/26/09/10/599260910.db2.gz XOQFUSGWWHKSEJ-VXGBXAGGSA-N -1 3 376.486 3.012 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000822352450 599261027 /nfs/dbraw/zinc/26/10/27/599261027.db2.gz ZSLJVEOOXNUKQA-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000822352450 599261029 /nfs/dbraw/zinc/26/10/29/599261029.db2.gz ZSLJVEOOXNUKQA-DNVCBOLYSA-N -1 3 392.463 3.019 20 0 GGADHM CN(Cc1cnn(-c2ccccc2)c1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736829447 599261222 /nfs/dbraw/zinc/26/12/22/599261222.db2.gz DQCBYVITGWBKKL-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM CN(Cc1cnn(-c2ccccc2)c1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736829447 599261225 /nfs/dbraw/zinc/26/12/25/599261225.db2.gz DQCBYVITGWBKKL-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823299019 607301207 /nfs/dbraw/zinc/30/12/07/607301207.db2.gz CWMAUCKYJRDKHU-UHFFFAOYSA-N -1 3 386.696 3.325 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823299019 607301208 /nfs/dbraw/zinc/30/12/08/607301208.db2.gz CWMAUCKYJRDKHU-UHFFFAOYSA-N -1 3 386.696 3.325 20 0 GGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822350643 607301686 /nfs/dbraw/zinc/30/16/86/607301686.db2.gz FULLFUFXFOIHRN-OCCSQVGLSA-N -1 3 382.855 3.242 20 0 GGADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822350643 607301687 /nfs/dbraw/zinc/30/16/87/607301687.db2.gz FULLFUFXFOIHRN-OCCSQVGLSA-N -1 3 382.855 3.242 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCc3ccn(C4CCCC4)n3)c2c1 ZINC000822581127 607307203 /nfs/dbraw/zinc/30/72/03/607307203.db2.gz BNJAKZLWHGAGLX-UHFFFAOYSA-N -1 3 394.870 3.414 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCc3ccn(C4CCCC4)n3)c2c1 ZINC000822581127 607307204 /nfs/dbraw/zinc/30/72/04/607307204.db2.gz BNJAKZLWHGAGLX-UHFFFAOYSA-N -1 3 394.870 3.414 20 0 GGADHM FC(F)(F)COc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000822718860 607309393 /nfs/dbraw/zinc/30/93/93/607309393.db2.gz SAIVNGXBLZYCEZ-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM FC(F)(F)COc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000822718860 607309394 /nfs/dbraw/zinc/30/93/94/607309394.db2.gz SAIVNGXBLZYCEZ-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM CC[C@@H](C)Sc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(C)c1 ZINC000820881960 607314868 /nfs/dbraw/zinc/31/48/68/607314868.db2.gz GIGDJQXIQUYHHP-KGLIPLIRSA-N -1 3 398.540 3.416 20 0 GGADHM CC[C@@H](C)Sc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(C)c1 ZINC000820881960 607314869 /nfs/dbraw/zinc/31/48/69/607314869.db2.gz GIGDJQXIQUYHHP-KGLIPLIRSA-N -1 3 398.540 3.416 20 0 GGADHM Cc1cccc(F)c1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000822308922 599265366 /nfs/dbraw/zinc/26/53/66/599265366.db2.gz KRHPKFVMGOSLOK-UHFFFAOYSA-N -1 3 384.415 3.423 20 0 GGADHM Cc1cccc(F)c1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000822308922 599265370 /nfs/dbraw/zinc/26/53/70/599265370.db2.gz KRHPKFVMGOSLOK-UHFFFAOYSA-N -1 3 384.415 3.423 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCOC1 ZINC000820380323 599266106 /nfs/dbraw/zinc/26/61/06/599266106.db2.gz QGRSUCRBMMKMFS-HIFRSBDPSA-N -1 3 394.435 3.206 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCOC1 ZINC000820380323 599266109 /nfs/dbraw/zinc/26/61/09/599266109.db2.gz QGRSUCRBMMKMFS-HIFRSBDPSA-N -1 3 394.435 3.206 20 0 GGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000822736190 607304875 /nfs/dbraw/zinc/30/48/75/607304875.db2.gz ADCCMEZLQXTSGP-LBPRGKRZSA-N -1 3 377.420 3.392 20 0 GGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000822736190 607304876 /nfs/dbraw/zinc/30/48/76/607304876.db2.gz ADCCMEZLQXTSGP-LBPRGKRZSA-N -1 3 377.420 3.392 20 0 GGADHM COc1ccc(CNc2ccc(-n3cccn3)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000821821462 607316244 /nfs/dbraw/zinc/31/62/44/607316244.db2.gz GZSLYTXVESUYEQ-UHFFFAOYSA-N -1 3 381.827 3.327 20 0 GGADHM COc1ccc(CNc2ccc(-n3cccn3)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000821821462 607316245 /nfs/dbraw/zinc/31/62/45/607316245.db2.gz GZSLYTXVESUYEQ-UHFFFAOYSA-N -1 3 381.827 3.327 20 0 GGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822783142 607317167 /nfs/dbraw/zinc/31/71/67/607317167.db2.gz XFLQJQDOYIICTA-CYBMUJFWSA-N -1 3 375.429 3.237 20 0 GGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822783142 607317168 /nfs/dbraw/zinc/31/71/68/607317168.db2.gz XFLQJQDOYIICTA-CYBMUJFWSA-N -1 3 375.429 3.237 20 0 GGADHM COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000821684042 599268278 /nfs/dbraw/zinc/26/82/78/599268278.db2.gz QQWAEEOUVLUMBZ-GOSISDBHSA-N -1 3 396.451 3.452 20 0 GGADHM COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000821684042 599268279 /nfs/dbraw/zinc/26/82/79/599268279.db2.gz QQWAEEOUVLUMBZ-GOSISDBHSA-N -1 3 396.451 3.452 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000822217849 599269994 /nfs/dbraw/zinc/26/99/94/599269994.db2.gz PNFXKJLDMURTST-UGSOOPFHSA-N -1 3 396.426 3.308 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000822217849 599269997 /nfs/dbraw/zinc/26/99/97/599269997.db2.gz PNFXKJLDMURTST-UGSOOPFHSA-N -1 3 396.426 3.308 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCCCC(=O)OC(C)(C)C ZINC000822220311 599270725 /nfs/dbraw/zinc/27/07/25/599270725.db2.gz LPUJQBUCKJUTOU-UHFFFAOYSA-N -1 3 388.472 3.199 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCCCC(=O)OC(C)(C)C ZINC000822220311 599270728 /nfs/dbraw/zinc/27/07/28/599270728.db2.gz LPUJQBUCKJUTOU-UHFFFAOYSA-N -1 3 388.472 3.199 20 0 GGADHM CCn1ncc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821568418 599271797 /nfs/dbraw/zinc/27/17/97/599271797.db2.gz SWJYHRUDMHNSHG-GFCCVEGCSA-N -1 3 376.424 3.119 20 0 GGADHM CCn1ncc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821568418 599271799 /nfs/dbraw/zinc/27/17/99/599271799.db2.gz SWJYHRUDMHNSHG-GFCCVEGCSA-N -1 3 376.424 3.119 20 0 GGADHM CCCCS(=O)(=O)Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821077548 607318077 /nfs/dbraw/zinc/31/80/77/607318077.db2.gz LACWXCYDBGKHMV-UHFFFAOYSA-N -1 3 386.481 3.021 20 0 GGADHM CCCCS(=O)(=O)Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821077548 607318078 /nfs/dbraw/zinc/31/80/78/607318078.db2.gz LACWXCYDBGKHMV-UHFFFAOYSA-N -1 3 386.481 3.021 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000736487096 599275095 /nfs/dbraw/zinc/27/50/95/599275095.db2.gz BUFLYMHYDLMWFD-CQSZACIVSA-N -1 3 380.452 3.403 20 0 GGADHM C[C@@H](N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736127028 599275871 /nfs/dbraw/zinc/27/58/71/599275871.db2.gz QEYZHUGRFPXULK-RFAUZJTJSA-N -1 3 391.262 3.051 20 0 GGADHM C[C@@H](N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736127028 599275873 /nfs/dbraw/zinc/27/58/73/599275873.db2.gz QEYZHUGRFPXULK-RFAUZJTJSA-N -1 3 391.262 3.051 20 0 GGADHM CO[C@H](C)COC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000821674199 607320114 /nfs/dbraw/zinc/32/01/14/607320114.db2.gz WTMRMVWCUGHPJN-CYBMUJFWSA-N -1 3 384.461 3.351 20 0 GGADHM CC(C)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCS1 ZINC000820044903 599276448 /nfs/dbraw/zinc/27/64/48/599276448.db2.gz ISCLCBXIXXPWSZ-CYBMUJFWSA-N -1 3 398.439 3.073 20 0 GGADHM CC(C)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCS1 ZINC000820044903 599276449 /nfs/dbraw/zinc/27/64/49/599276449.db2.gz ISCLCBXIXXPWSZ-CYBMUJFWSA-N -1 3 398.439 3.073 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccccc1OC ZINC000736487565 599276535 /nfs/dbraw/zinc/27/65/35/599276535.db2.gz HXOGHALYZCVLIX-UHFFFAOYSA-N -1 3 380.452 3.269 20 0 GGADHM CO[C@H](C)COC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000821674199 607320115 /nfs/dbraw/zinc/32/01/15/607320115.db2.gz WTMRMVWCUGHPJN-CYBMUJFWSA-N -1 3 384.461 3.351 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000737290211 599278338 /nfs/dbraw/zinc/27/83/38/599278338.db2.gz CYBMYWZATSOLFT-KRWDZBQOSA-N -1 3 380.477 3.497 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000737290211 599278339 /nfs/dbraw/zinc/27/83/39/599278339.db2.gz CYBMYWZATSOLFT-KRWDZBQOSA-N -1 3 380.477 3.497 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(NC(=O)CC)c1 ZINC000736488919 599278961 /nfs/dbraw/zinc/27/89/61/599278961.db2.gz UQXGLDFWSNNQJZ-UHFFFAOYSA-N -1 3 393.451 3.289 20 0 GGADHM CO[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000821676717 599279854 /nfs/dbraw/zinc/27/98/54/599279854.db2.gz GDNBZNGNTVKEMJ-HNNXBMFYSA-N -1 3 390.806 3.168 20 0 GGADHM CO[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000821676717 599279855 /nfs/dbraw/zinc/27/98/55/599279855.db2.gz GDNBZNGNTVKEMJ-HNNXBMFYSA-N -1 3 390.806 3.168 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000735874971 599280063 /nfs/dbraw/zinc/28/00/63/599280063.db2.gz XGGIGUVIKFDNGS-MUUNZHRXSA-N -1 3 398.492 3.047 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000735874971 599280065 /nfs/dbraw/zinc/28/00/65/599280065.db2.gz XGGIGUVIKFDNGS-MUUNZHRXSA-N -1 3 398.492 3.047 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000823109123 607320592 /nfs/dbraw/zinc/32/05/92/607320592.db2.gz YYNCZKSSQXJRBE-UHFFFAOYSA-N -1 3 395.426 3.387 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000823109123 607320593 /nfs/dbraw/zinc/32/05/93/607320593.db2.gz YYNCZKSSQXJRBE-UHFFFAOYSA-N -1 3 395.426 3.387 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Br)c(F)c1 ZINC000823246544 599287201 /nfs/dbraw/zinc/28/72/01/599287201.db2.gz TWVDCPIUGAMXIH-UHFFFAOYSA-N -1 3 391.204 3.090 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Br)c(F)c1 ZINC000823246544 599287203 /nfs/dbraw/zinc/28/72/03/599287203.db2.gz TWVDCPIUGAMXIH-UHFFFAOYSA-N -1 3 391.204 3.090 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821798860 599287329 /nfs/dbraw/zinc/28/73/29/599287329.db2.gz QMJSAUCKVRJSPR-UHFFFAOYSA-N -1 3 392.341 3.216 20 0 GGADHM COc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821798860 599287331 /nfs/dbraw/zinc/28/73/31/599287331.db2.gz QMJSAUCKVRJSPR-UHFFFAOYSA-N -1 3 392.341 3.216 20 0 GGADHM Cc1ccc([C@H]2CCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)o1 ZINC000737329452 599288826 /nfs/dbraw/zinc/28/88/26/599288826.db2.gz GSXDOFWAPBRNOE-OAHLLOKOSA-N -1 3 377.408 3.155 20 0 GGADHM Cc1ccc([C@H]2CCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)o1 ZINC000737329452 599288829 /nfs/dbraw/zinc/28/88/29/599288829.db2.gz GSXDOFWAPBRNOE-OAHLLOKOSA-N -1 3 377.408 3.155 20 0 GGADHM C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192920 599289711 /nfs/dbraw/zinc/28/97/11/599289711.db2.gz NNFXFAORESVFNN-ZDUSSCGKSA-N -1 3 380.477 3.351 20 0 GGADHM C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192920 599289714 /nfs/dbraw/zinc/28/97/14/599289714.db2.gz NNFXFAORESVFNN-ZDUSSCGKSA-N -1 3 380.477 3.351 20 0 GGADHM Cc1c(NC(=O)c2sc(N3CCCC3)nc2Cl)cccc1-c1nnn[n-]1 ZINC000822116378 607321295 /nfs/dbraw/zinc/32/12/95/607321295.db2.gz QWXKMZWLEQDGSK-UHFFFAOYSA-N -1 3 389.872 3.138 20 0 GGADHM Cc1c(NC(=O)c2sc(N3CCCC3)nc2Cl)cccc1-c1nn[n-]n1 ZINC000822116378 607321296 /nfs/dbraw/zinc/32/12/96/607321296.db2.gz QWXKMZWLEQDGSK-UHFFFAOYSA-N -1 3 389.872 3.138 20 0 GGADHM Cc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c(Br)n1 ZINC000822255358 607326094 /nfs/dbraw/zinc/32/60/94/607326094.db2.gz ZOTRKHXWPJVRJS-UHFFFAOYSA-N -1 3 390.270 3.142 20 0 GGADHM Cc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c(Br)n1 ZINC000822255358 607326095 /nfs/dbraw/zinc/32/60/95/607326095.db2.gz ZOTRKHXWPJVRJS-UHFFFAOYSA-N -1 3 390.270 3.142 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000822718524 607328910 /nfs/dbraw/zinc/32/89/10/607328910.db2.gz LNVFPFHWTBCQED-UHFFFAOYSA-N -1 3 385.353 3.366 20 0 GGADHM c1ccc2c(c1)nc(N[C@H]1CCOC3(CCSCC3)C1)cc2-c1nnn[n-]1 ZINC000823791441 607331376 /nfs/dbraw/zinc/33/13/76/607331376.db2.gz CUBLYIRWUJYXEV-ZDUSSCGKSA-N -1 3 382.493 3.272 20 0 GGADHM c1ccc2c(c1)nc(N[C@H]1CCOC3(CCSCC3)C1)cc2-c1nn[n-]n1 ZINC000823791441 607331377 /nfs/dbraw/zinc/33/13/77/607331377.db2.gz CUBLYIRWUJYXEV-ZDUSSCGKSA-N -1 3 382.493 3.272 20 0 GGADHM Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@@H](C(=O)[O-])C(C)C)cs2)c1 ZINC000821075820 598188702 /nfs/dbraw/zinc/18/87/02/598188702.db2.gz IDYBTLAVKJPUSL-GOSISDBHSA-N -1 3 375.494 3.140 20 0 GGADHM CN(C(=O)c1ccncc1)c1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000820524387 598204055 /nfs/dbraw/zinc/20/40/55/598204055.db2.gz WGQWTCAIFDTODC-UHFFFAOYSA-N -1 3 375.428 3.346 20 0 GGADHM O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737956007 598235398 /nfs/dbraw/zinc/23/53/98/598235398.db2.gz RZQOJFMSCAXCOI-UHFFFAOYSA-N -1 3 397.866 3.133 20 0 GGADHM O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737956007 598235399 /nfs/dbraw/zinc/23/53/99/598235399.db2.gz RZQOJFMSCAXCOI-UHFFFAOYSA-N -1 3 397.866 3.133 20 0 GGADHM Cc1cc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)sc1C ZINC000737233467 598236086 /nfs/dbraw/zinc/23/60/86/598236086.db2.gz GBZPVXCWOSGTND-UHFFFAOYSA-N -1 3 383.477 3.229 20 0 GGADHM Cc1cc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)sc1C ZINC000737233467 598236087 /nfs/dbraw/zinc/23/60/87/598236087.db2.gz GBZPVXCWOSGTND-UHFFFAOYSA-N -1 3 383.477 3.229 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1(C)C ZINC000735679788 598236108 /nfs/dbraw/zinc/23/61/08/598236108.db2.gz NPKNIHRECZMZCW-RTBURBONSA-N -1 3 395.507 3.475 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1(C)C ZINC000735679788 598236109 /nfs/dbraw/zinc/23/61/09/598236109.db2.gz NPKNIHRECZMZCW-RTBURBONSA-N -1 3 395.507 3.475 20 0 GGADHM O=C(Nc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1)c1ccco1 ZINC000738160963 598236773 /nfs/dbraw/zinc/23/67/73/598236773.db2.gz XDVMAQHIYCDXTK-UHFFFAOYSA-N -1 3 378.367 3.463 20 0 GGADHM Cc1cc(C)n(-c2ccc(CCNc3ccc(-c4nn[n-]n4)cc3F)cc2)n1 ZINC000737255271 598238215 /nfs/dbraw/zinc/23/82/15/598238215.db2.gz FBACPQWAVWEYRM-UHFFFAOYSA-N -1 3 377.427 3.463 20 0 GGADHM O=C(c1ccc(C(F)F)cc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738258575 598238789 /nfs/dbraw/zinc/23/87/89/598238789.db2.gz QGEHBCPDVPWGBN-UHFFFAOYSA-N -1 3 399.401 3.488 20 0 GGADHM O=C(c1ccc(C(F)F)cc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738258575 598238791 /nfs/dbraw/zinc/23/87/91/598238791.db2.gz QGEHBCPDVPWGBN-UHFFFAOYSA-N -1 3 399.401 3.488 20 0 GGADHM O=C(CCc1ccccc1)N1CCC(Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737856677 598240319 /nfs/dbraw/zinc/24/03/19/598240319.db2.gz BUSWMHXLKJZXPZ-UHFFFAOYSA-N -1 3 394.454 3.042 20 0 GGADHM COc1ccc(C)cc1C1(CNc2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000737075154 598241630 /nfs/dbraw/zinc/24/16/30/598241630.db2.gz DIXAVVGRMPBUDW-UHFFFAOYSA-N -1 3 397.454 3.483 20 0 GGADHM O=C(Nc1cccc(F)c1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738182643 598244471 /nfs/dbraw/zinc/24/44/71/598244471.db2.gz GYEZBAPNXWFYTF-UHFFFAOYSA-N -1 3 384.390 3.000 20 0 GGADHM Fc1ccc(CC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000737651527 598245903 /nfs/dbraw/zinc/24/59/03/598245903.db2.gz UZTVJZIBSBTZKM-UHFFFAOYSA-N -1 3 378.455 3.349 20 0 GGADHM Fc1ccc(CC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1 ZINC000737651527 598245904 /nfs/dbraw/zinc/24/59/04/598245904.db2.gz UZTVJZIBSBTZKM-UHFFFAOYSA-N -1 3 378.455 3.349 20 0 GGADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736137407 598246284 /nfs/dbraw/zinc/24/62/84/598246284.db2.gz MBYARAZRQRAWAJ-QWHCGFSZSA-N -1 3 390.463 3.453 20 0 GGADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736137407 598246285 /nfs/dbraw/zinc/24/62/85/598246285.db2.gz MBYARAZRQRAWAJ-QWHCGFSZSA-N -1 3 390.463 3.453 20 0 GGADHM COc1ccc(CCNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1OC(F)F ZINC000737090437 598246949 /nfs/dbraw/zinc/24/69/49/598246949.db2.gz OJKNBEXSDCRDKV-UHFFFAOYSA-N -1 3 390.394 3.143 20 0 GGADHM COc1ccc(CCNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1OC(F)F ZINC000737090437 598246950 /nfs/dbraw/zinc/24/69/50/598246950.db2.gz OJKNBEXSDCRDKV-UHFFFAOYSA-N -1 3 390.394 3.143 20 0 GGADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ncccc1-c1nnn[n-]1 ZINC000736797411 598248191 /nfs/dbraw/zinc/24/81/91/598248191.db2.gz HUTQOVVZRFALNV-UHFFFAOYSA-N -1 3 379.399 3.125 20 0 GGADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ncccc1-c1nn[n-]n1 ZINC000736797411 598248192 /nfs/dbraw/zinc/24/81/92/598248192.db2.gz HUTQOVVZRFALNV-UHFFFAOYSA-N -1 3 379.399 3.125 20 0 GGADHM O=C(CNc1cccc(-c2cccs2)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737900192 598250507 /nfs/dbraw/zinc/25/05/07/598250507.db2.gz WQIDIBRDPSUIHU-UHFFFAOYSA-N -1 3 390.472 3.324 20 0 GGADHM O=C(CNc1cccc(-c2cccs2)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737900192 598250508 /nfs/dbraw/zinc/25/05/08/598250508.db2.gz WQIDIBRDPSUIHU-UHFFFAOYSA-N -1 3 390.472 3.324 20 0 GGADHM C[C@H](c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736200024 598255646 /nfs/dbraw/zinc/25/56/46/598255646.db2.gz QVHDDDIQKIJFRG-GFCCVEGCSA-N -1 3 388.397 3.167 20 0 GGADHM C[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)n1cccc1 ZINC000735978631 598256693 /nfs/dbraw/zinc/25/66/93/598256693.db2.gz YEOPFZUAANYAQT-ZDUSSCGKSA-N -1 3 393.476 3.305 20 0 GGADHM C[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)n1cccc1 ZINC000735978631 598256694 /nfs/dbraw/zinc/25/66/94/598256694.db2.gz YEOPFZUAANYAQT-ZDUSSCGKSA-N -1 3 393.476 3.305 20 0 GGADHM CC(C)N(Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000735873463 598257319 /nfs/dbraw/zinc/25/73/19/598257319.db2.gz AMNSEPVJLVZFEP-UHFFFAOYSA-N -1 3 396.470 3.257 20 0 GGADHM CC(C)N(Cc1cc(-c2nn[n-]n2)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000735873463 598257321 /nfs/dbraw/zinc/25/73/21/598257321.db2.gz AMNSEPVJLVZFEP-UHFFFAOYSA-N -1 3 396.470 3.257 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000735873542 598257550 /nfs/dbraw/zinc/25/75/50/598257550.db2.gz GIYLAWRPHAKGTK-UHFFFAOYSA-N -1 3 396.470 3.257 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000735873542 598257551 /nfs/dbraw/zinc/25/75/51/598257551.db2.gz GIYLAWRPHAKGTK-UHFFFAOYSA-N -1 3 396.470 3.257 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)n1cccc1 ZINC000735977861 598259817 /nfs/dbraw/zinc/25/98/17/598259817.db2.gz SAJJAWMNDHECMA-AWEZNQCLSA-N -1 3 389.419 3.445 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)n1cccc1 ZINC000735977861 598259819 /nfs/dbraw/zinc/25/98/19/598259819.db2.gz SAJJAWMNDHECMA-AWEZNQCLSA-N -1 3 389.419 3.445 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736538393 598263961 /nfs/dbraw/zinc/26/39/61/598263961.db2.gz VZDRXMJSICHJFJ-UHFFFAOYSA-N -1 3 386.378 3.460 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736538393 598263962 /nfs/dbraw/zinc/26/39/62/598263962.db2.gz VZDRXMJSICHJFJ-UHFFFAOYSA-N -1 3 386.378 3.460 20 0 GGADHM CC(C)(C)c1csc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000735655482 598264565 /nfs/dbraw/zinc/26/45/65/598264565.db2.gz AICRPZXBNIKAOO-UHFFFAOYSA-N -1 3 375.433 3.082 20 0 GGADHM CC(C)(C)c1csc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000735655482 598264566 /nfs/dbraw/zinc/26/45/66/598264566.db2.gz AICRPZXBNIKAOO-UHFFFAOYSA-N -1 3 375.433 3.082 20 0 GGADHM COC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736962310 598267862 /nfs/dbraw/zinc/26/78/62/598267862.db2.gz OLBAHXHIMRTLOB-UHFFFAOYSA-N -1 3 394.435 3.302 20 0 GGADHM COC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736962310 598267863 /nfs/dbraw/zinc/26/78/63/598267863.db2.gz OLBAHXHIMRTLOB-UHFFFAOYSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(NCc1cccnc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738123047 598268038 /nfs/dbraw/zinc/26/80/38/598268038.db2.gz DNCUUURMGFGDCM-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N[C@@H]1CCCC[C@H]1O ZINC000738182336 598268644 /nfs/dbraw/zinc/26/86/44/598268644.db2.gz DOLNALLMEGTWRE-QZTJIDSGSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N[C@@H]1CCCC[C@H]1O ZINC000738182336 598268645 /nfs/dbraw/zinc/26/86/45/598268645.db2.gz DOLNALLMEGTWRE-QZTJIDSGSA-N -1 3 394.435 3.084 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 ZINC000737240271 598271094 /nfs/dbraw/zinc/27/10/94/598271094.db2.gz JHDXWBLYLJWUBD-LBPRGKRZSA-N -1 3 386.456 3.445 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 ZINC000737240271 598271095 /nfs/dbraw/zinc/27/10/95/598271095.db2.gz JHDXWBLYLJWUBD-LBPRGKRZSA-N -1 3 386.456 3.445 20 0 GGADHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000737077237 598271118 /nfs/dbraw/zinc/27/11/18/598271118.db2.gz QBZISGULOMUWSF-ZDUSSCGKSA-N -1 3 398.492 3.315 20 0 GGADHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000737077237 598271119 /nfs/dbraw/zinc/27/11/19/598271119.db2.gz QBZISGULOMUWSF-ZDUSSCGKSA-N -1 3 398.492 3.315 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cc(Cl)sc1Cl ZINC000737222266 598274206 /nfs/dbraw/zinc/27/42/06/598274206.db2.gz VUSIYJJXFHZQGW-UHFFFAOYSA-N -1 3 391.261 3.311 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cc(Cl)sc1Cl ZINC000737222266 598274208 /nfs/dbraw/zinc/27/42/08/598274208.db2.gz VUSIYJJXFHZQGW-UHFFFAOYSA-N -1 3 391.261 3.311 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)C=Cc1ccc(Cl)cc1 ZINC000737222407 598274505 /nfs/dbraw/zinc/27/45/05/598274505.db2.gz YDIQQTCXHACBPX-CMDGGOBGSA-N -1 3 376.825 3.208 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)C=Cc1ccc(Cl)cc1 ZINC000737222407 598274506 /nfs/dbraw/zinc/27/45/06/598274506.db2.gz YDIQQTCXHACBPX-CMDGGOBGSA-N -1 3 376.825 3.208 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000735489492 598275644 /nfs/dbraw/zinc/27/56/44/598275644.db2.gz ZVJKSBLTLSCHPU-UHFFFAOYSA-N -1 3 382.428 3.026 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000735489492 598275645 /nfs/dbraw/zinc/27/56/45/598275645.db2.gz ZVJKSBLTLSCHPU-UHFFFAOYSA-N -1 3 382.428 3.026 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cocn1 ZINC000737271352 598277773 /nfs/dbraw/zinc/27/77/73/598277773.db2.gz TXOLUHVSGIYMJR-UHFFFAOYSA-N -1 3 378.367 3.149 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cocn1 ZINC000737271352 598277775 /nfs/dbraw/zinc/27/77/75/598277775.db2.gz TXOLUHVSGIYMJR-UHFFFAOYSA-N -1 3 378.367 3.149 20 0 GGADHM CCOCc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736627409 598278343 /nfs/dbraw/zinc/27/83/43/598278343.db2.gz VANUYTONXUKVPS-UHFFFAOYSA-N -1 3 397.483 3.281 20 0 GGADHM CCOCc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736627409 598278345 /nfs/dbraw/zinc/27/83/45/598278345.db2.gz VANUYTONXUKVPS-UHFFFAOYSA-N -1 3 397.483 3.281 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000735661689 598279399 /nfs/dbraw/zinc/27/93/99/598279399.db2.gz WYRBLHVXYITEGH-MRXNPFEDSA-N -1 3 395.467 3.498 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000735661689 598279401 /nfs/dbraw/zinc/27/94/01/598279401.db2.gz WYRBLHVXYITEGH-MRXNPFEDSA-N -1 3 395.467 3.498 20 0 GGADHM CN(C(=O)c1sccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741882 598280033 /nfs/dbraw/zinc/28/00/33/598280033.db2.gz VKOZCZICJKCVLA-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM CN(C(=O)c1sccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741882 598280035 /nfs/dbraw/zinc/28/00/35/598280035.db2.gz VKOZCZICJKCVLA-UHFFFAOYSA-N -1 3 382.218 3.106 20 0 GGADHM Cc1nc(C(F)(F)F)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737471466 598280940 /nfs/dbraw/zinc/28/09/40/598280940.db2.gz RAQLEKZRPTWEFX-UHFFFAOYSA-N -1 3 380.305 3.005 20 0 GGADHM Cc1nc(C(F)(F)F)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737471466 598280941 /nfs/dbraw/zinc/28/09/41/598280941.db2.gz RAQLEKZRPTWEFX-UHFFFAOYSA-N -1 3 380.305 3.005 20 0 GGADHM COc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737086573 598281946 /nfs/dbraw/zinc/28/19/46/598281946.db2.gz HQNHDFMHSJSMKQ-UHFFFAOYSA-N -1 3 389.818 3.263 20 0 GGADHM COc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737086573 598281947 /nfs/dbraw/zinc/28/19/47/598281947.db2.gz HQNHDFMHSJSMKQ-UHFFFAOYSA-N -1 3 389.818 3.263 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738102042 598282785 /nfs/dbraw/zinc/28/27/85/598282785.db2.gz PMRFZAZYACDRLJ-UHFFFAOYSA-N -1 3 394.454 3.170 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738102042 598282786 /nfs/dbraw/zinc/28/27/86/598282786.db2.gz PMRFZAZYACDRLJ-UHFFFAOYSA-N -1 3 394.454 3.170 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736332440 598288671 /nfs/dbraw/zinc/28/86/71/598288671.db2.gz NBFGYKIJKNLKHE-LLVKDONJSA-N -1 3 379.848 3.074 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736332440 598288673 /nfs/dbraw/zinc/28/86/73/598288673.db2.gz NBFGYKIJKNLKHE-LLVKDONJSA-N -1 3 379.848 3.074 20 0 GGADHM C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736147618 598289179 /nfs/dbraw/zinc/28/91/79/598289179.db2.gz DEHNYHVEFOUVHY-KBPBESRZSA-N -1 3 385.468 3.343 20 0 GGADHM C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736147618 598289181 /nfs/dbraw/zinc/28/91/81/598289181.db2.gz DEHNYHVEFOUVHY-KBPBESRZSA-N -1 3 385.468 3.343 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737966871 598290118 /nfs/dbraw/zinc/29/01/18/598290118.db2.gz JRYHZQSEZITKIR-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737966871 598290120 /nfs/dbraw/zinc/29/01/20/598290120.db2.gz JRYHZQSEZITKIR-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(C(F)(F)F)c1 ZINC000738330540 598290816 /nfs/dbraw/zinc/29/08/16/598290816.db2.gz QYNXZRDGSUQCAM-UHFFFAOYSA-N -1 3 382.367 3.001 20 0 GGADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(C(F)(F)F)c1 ZINC000738330540 598290817 /nfs/dbraw/zinc/29/08/17/598290817.db2.gz QYNXZRDGSUQCAM-UHFFFAOYSA-N -1 3 382.367 3.001 20 0 GGADHM O=S(=O)(Cc1csc(C2CCCC2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000738328523 598290961 /nfs/dbraw/zinc/29/09/61/598290961.db2.gz DOEGIJLYQDIDAO-UHFFFAOYSA-N -1 3 389.506 3.096 20 0 GGADHM O=S(=O)(Cc1csc(C2CCCC2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738328523 598290962 /nfs/dbraw/zinc/29/09/62/598290962.db2.gz DOEGIJLYQDIDAO-UHFFFAOYSA-N -1 3 389.506 3.096 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc2ncccc2c1 ZINC000737936506 598293973 /nfs/dbraw/zinc/29/39/73/598293973.db2.gz RPQMJXUYPGFWFY-UHFFFAOYSA-N -1 3 391.456 3.392 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCc1ccc2ncccc2c1 ZINC000737936506 598293974 /nfs/dbraw/zinc/29/39/74/598293974.db2.gz RPQMJXUYPGFWFY-UHFFFAOYSA-N -1 3 391.456 3.392 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC(n2ccnc2)CC1 ZINC000738279437 598297725 /nfs/dbraw/zinc/29/77/25/598297725.db2.gz RXBWGDOSBVBWTP-UHFFFAOYSA-N -1 3 399.458 3.208 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC(n2ccnc2)CC1 ZINC000738279437 598297727 /nfs/dbraw/zinc/29/77/27/598297727.db2.gz RXBWGDOSBVBWTP-UHFFFAOYSA-N -1 3 399.458 3.208 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000737803094 598297822 /nfs/dbraw/zinc/29/78/22/598297822.db2.gz RJMZAYNNHWWDJF-FMIVXFBMSA-N -1 3 398.430 3.181 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000737803094 598297825 /nfs/dbraw/zinc/29/78/25/598297825.db2.gz RJMZAYNNHWWDJF-FMIVXFBMSA-N -1 3 398.430 3.181 20 0 GGADHM C[C@H](OC(=O)C1CCCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736152434 598302062 /nfs/dbraw/zinc/30/20/62/598302062.db2.gz OCYUOFXAKZNFOO-NSHDSACASA-N -1 3 391.859 3.361 20 0 GGADHM C[C@H](OC(=O)C1CCCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736152434 598302064 /nfs/dbraw/zinc/30/20/64/598302064.db2.gz OCYUOFXAKZNFOO-NSHDSACASA-N -1 3 391.859 3.361 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC2CCCC2)cc1 ZINC000738101003 598302582 /nfs/dbraw/zinc/30/25/82/598302582.db2.gz CNKQWXSKQLULET-UHFFFAOYSA-N -1 3 381.411 3.257 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC2CCCC2)cc1 ZINC000738101003 598302584 /nfs/dbraw/zinc/30/25/84/598302584.db2.gz CNKQWXSKQLULET-UHFFFAOYSA-N -1 3 381.411 3.257 20 0 GGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736193961 598302681 /nfs/dbraw/zinc/30/26/81/598302681.db2.gz VQJRGAJFURBRSD-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736193961 598302682 /nfs/dbraw/zinc/30/26/82/598302682.db2.gz VQJRGAJFURBRSD-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM Cc1cc2occ(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)c2cc1C ZINC000737283073 598304906 /nfs/dbraw/zinc/30/49/06/598304906.db2.gz ASUZSBSGLJHAAJ-UHFFFAOYSA-N -1 3 379.395 3.228 20 0 GGADHM Cc1cc2occ(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)c2cc1C ZINC000737283073 598304908 /nfs/dbraw/zinc/30/49/08/598304908.db2.gz ASUZSBSGLJHAAJ-UHFFFAOYSA-N -1 3 379.395 3.228 20 0 GGADHM C[C@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cnc2ccccc2c1 ZINC000736155719 598306401 /nfs/dbraw/zinc/30/64/01/598306401.db2.gz PESXTBOGWOMPTR-ZDUSSCGKSA-N -1 3 375.388 3.098 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCc2cccc(Cl)c21 ZINC000736184821 598307813 /nfs/dbraw/zinc/30/78/13/598307813.db2.gz NZIMDKAYSRXYAS-LBPRGKRZSA-N -1 3 383.839 3.267 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCc2cccc(Cl)c21 ZINC000736184821 598307815 /nfs/dbraw/zinc/30/78/15/598307815.db2.gz NZIMDKAYSRXYAS-LBPRGKRZSA-N -1 3 383.839 3.267 20 0 GGADHM Cc1ccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)cc1F ZINC000737314413 598308355 /nfs/dbraw/zinc/30/83/55/598308355.db2.gz CTHMWMBUZALNFN-UHFFFAOYSA-N -1 3 393.378 3.098 20 0 GGADHM Cc1ccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)cc1F ZINC000737314413 598308357 /nfs/dbraw/zinc/30/83/57/598308357.db2.gz CTHMWMBUZALNFN-UHFFFAOYSA-N -1 3 393.378 3.098 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000738102597 598309640 /nfs/dbraw/zinc/30/96/40/598309640.db2.gz RLSJRCHYZNALPS-UHFFFAOYSA-N -1 3 390.422 3.296 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000738102597 598309642 /nfs/dbraw/zinc/30/96/42/598309642.db2.gz RLSJRCHYZNALPS-UHFFFAOYSA-N -1 3 390.422 3.296 20 0 GGADHM CCCN(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(F)(F)F ZINC000736472392 598310413 /nfs/dbraw/zinc/31/04/13/598310413.db2.gz VUVUXOHHVSSKAL-UHFFFAOYSA-N -1 3 390.797 3.123 20 0 GGADHM CCCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(F)(F)F ZINC000736472392 598310415 /nfs/dbraw/zinc/31/04/15/598310415.db2.gz VUVUXOHHVSSKAL-UHFFFAOYSA-N -1 3 390.797 3.123 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1nc(Cl)ccc1Cl ZINC000736186847 598311277 /nfs/dbraw/zinc/31/12/77/598311277.db2.gz DTXJQSWDZWKBSM-VIFPVBQESA-N -1 3 394.218 3.079 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1nc(Cl)ccc1Cl ZINC000736186847 598311278 /nfs/dbraw/zinc/31/12/78/598311278.db2.gz DTXJQSWDZWKBSM-VIFPVBQESA-N -1 3 394.218 3.079 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736183910 598311348 /nfs/dbraw/zinc/31/13/48/598311348.db2.gz UMEVPQDTFFSRFX-JTQLQIEISA-N -1 3 375.791 3.090 20 0 GGADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736183910 598311349 /nfs/dbraw/zinc/31/13/49/598311349.db2.gz UMEVPQDTFFSRFX-JTQLQIEISA-N -1 3 375.791 3.090 20 0 GGADHM Nc1nc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC000737776497 598313897 /nfs/dbraw/zinc/31/38/97/598313897.db2.gz PAVGQTUUZHWKGR-UHFFFAOYSA-N -1 3 393.476 3.094 20 0 GGADHM c1cn(-c2ccccc2)nc1CSCCOc1ccccc1-c1nnn[n-]1 ZINC000738425194 598314404 /nfs/dbraw/zinc/31/44/04/598314404.db2.gz LUCOJSMCMBIWPI-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM c1cn(-c2ccccc2)nc1CSCCOc1ccccc1-c1nn[n-]n1 ZINC000738425194 598314406 /nfs/dbraw/zinc/31/44/06/598314406.db2.gz LUCOJSMCMBIWPI-UHFFFAOYSA-N -1 3 378.461 3.365 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CSc2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735627068 598315574 /nfs/dbraw/zinc/31/55/74/598315574.db2.gz MHTBXIVPWQKNCM-UHFFFAOYSA-N -1 3 376.486 3.001 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CSc2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735627068 598315576 /nfs/dbraw/zinc/31/55/76/598315576.db2.gz MHTBXIVPWQKNCM-UHFFFAOYSA-N -1 3 376.486 3.001 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000738409595 598316318 /nfs/dbraw/zinc/31/63/18/598316318.db2.gz TVHSQRVLKVDICS-UHFFFAOYSA-N -1 3 399.911 3.039 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000738409595 598316320 /nfs/dbraw/zinc/31/63/20/598316320.db2.gz TVHSQRVLKVDICS-UHFFFAOYSA-N -1 3 399.911 3.039 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1C(F)(F)F ZINC000738100702 598316537 /nfs/dbraw/zinc/31/65/37/598316537.db2.gz QIAUSNCYWJXHIM-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1C(F)(F)F ZINC000738100702 598316539 /nfs/dbraw/zinc/31/65/39/598316539.db2.gz QIAUSNCYWJXHIM-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM CC(C)(C)c1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735648463 598318493 /nfs/dbraw/zinc/31/84/93/598318493.db2.gz GEAHZULCGHDFFV-UHFFFAOYSA-N -1 3 382.443 3.303 20 0 GGADHM CC(C)(C)c1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735648463 598318495 /nfs/dbraw/zinc/31/84/95/598318495.db2.gz GEAHZULCGHDFFV-UHFFFAOYSA-N -1 3 382.443 3.303 20 0 GGADHM Cc1cccc(OCCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737409161 598318894 /nfs/dbraw/zinc/31/88/94/598318894.db2.gz BGJCPEKDZVBMCG-UHFFFAOYSA-N -1 3 388.884 3.194 20 0 GGADHM Cc1cccc(OCCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737409161 598318896 /nfs/dbraw/zinc/31/88/96/598318896.db2.gz BGJCPEKDZVBMCG-UHFFFAOYSA-N -1 3 388.884 3.194 20 0 GGADHM CO[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736961210 598319093 /nfs/dbraw/zinc/31/90/93/598319093.db2.gz KBALSYXPUUMZNI-OAHLLOKOSA-N -1 3 388.884 3.194 20 0 GGADHM CO[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736961210 598319094 /nfs/dbraw/zinc/31/90/94/598319094.db2.gz KBALSYXPUUMZNI-OAHLLOKOSA-N -1 3 388.884 3.194 20 0 GGADHM O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738103363 598319587 /nfs/dbraw/zinc/31/95/87/598319587.db2.gz JINMSHYRYPFJLL-UHFFFAOYSA-N -1 3 394.332 3.024 20 0 GGADHM O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738103363 598319589 /nfs/dbraw/zinc/31/95/89/598319589.db2.gz JINMSHYRYPFJLL-UHFFFAOYSA-N -1 3 394.332 3.024 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]1c1ccccn1 ZINC000738401791 598323199 /nfs/dbraw/zinc/32/31/99/598323199.db2.gz UIRMKYTXGZXQNI-HNNXBMFYSA-N -1 3 385.884 3.449 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]1c1ccccn1 ZINC000738401791 598323201 /nfs/dbraw/zinc/32/32/01/598323201.db2.gz UIRMKYTXGZXQNI-HNNXBMFYSA-N -1 3 385.884 3.449 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC000738293440 598326356 /nfs/dbraw/zinc/32/63/56/598326356.db2.gz WGXXBGHHMGQNLN-UHFFFAOYSA-N -1 3 387.399 3.242 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC000738293440 598326358 /nfs/dbraw/zinc/32/63/58/598326358.db2.gz WGXXBGHHMGQNLN-UHFFFAOYSA-N -1 3 387.399 3.242 20 0 GGADHM O=C(NC1CCCCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738022650 598326412 /nfs/dbraw/zinc/32/64/12/598326412.db2.gz FCZMRACVPQATCY-UHFFFAOYSA-N -1 3 381.436 3.491 20 0 GGADHM O=C(NC1CCCCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738022650 598326413 /nfs/dbraw/zinc/32/64/13/598326413.db2.gz FCZMRACVPQATCY-UHFFFAOYSA-N -1 3 381.436 3.491 20 0 GGADHM Cc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737424727 598328316 /nfs/dbraw/zinc/32/83/16/598328316.db2.gz WAMXEWIKJUOMRS-INIZCTEOSA-N -1 3 380.427 3.013 20 0 GGADHM Cc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737424727 598328317 /nfs/dbraw/zinc/32/83/17/598328317.db2.gz WAMXEWIKJUOMRS-INIZCTEOSA-N -1 3 380.427 3.013 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCCc1ccccc1C(F)(F)F ZINC000737918538 598332114 /nfs/dbraw/zinc/33/21/14/598332114.db2.gz JGIFWUYPYQZACP-UHFFFAOYSA-N -1 3 392.337 3.050 20 0 GGADHM CO[C@@H](C)CCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736958247 598333396 /nfs/dbraw/zinc/33/33/96/598333396.db2.gz PIQLSLDFZSMVST-AWEZNQCLSA-N -1 3 397.504 3.314 20 0 GGADHM CO[C@@H](C)CCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736958247 598333397 /nfs/dbraw/zinc/33/33/97/598333397.db2.gz PIQLSLDFZSMVST-AWEZNQCLSA-N -1 3 397.504 3.314 20 0 GGADHM CCC(=O)c1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820843390 607350693 /nfs/dbraw/zinc/35/06/93/607350693.db2.gz XJETXOFJBSAUMC-UHFFFAOYSA-N -1 3 381.461 3.331 20 0 GGADHM CCC(=O)c1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820843390 607350695 /nfs/dbraw/zinc/35/06/95/607350695.db2.gz XJETXOFJBSAUMC-UHFFFAOYSA-N -1 3 381.461 3.331 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(SC(F)F)nc1 ZINC000823065917 607351270 /nfs/dbraw/zinc/35/12/70/607351270.db2.gz FDEVPJHPWCHBTO-UHFFFAOYSA-N -1 3 394.432 3.307 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(SC(F)F)nc1 ZINC000823065917 607351272 /nfs/dbraw/zinc/35/12/72/607351272.db2.gz FDEVPJHPWCHBTO-UHFFFAOYSA-N -1 3 394.432 3.307 20 0 GGADHM COc1cccc(N2CC[C@@H](CNc3c(F)cc(-c4nnn[n-]4)cc3F)C2)c1 ZINC000737140137 598352878 /nfs/dbraw/zinc/35/28/78/598352878.db2.gz PHWHYTROYRTZCS-LBPRGKRZSA-N -1 3 386.406 3.092 20 0 GGADHM COc1cccc(N2CC[C@@H](CNc3c(F)cc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000737140137 598352879 /nfs/dbraw/zinc/35/28/79/598352879.db2.gz PHWHYTROYRTZCS-LBPRGKRZSA-N -1 3 386.406 3.092 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737100346 598354092 /nfs/dbraw/zinc/35/40/92/598354092.db2.gz VKMOPZBIFGWUQC-CYBMUJFWSA-N -1 3 388.834 3.359 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737098358 598354181 /nfs/dbraw/zinc/35/41/81/598354181.db2.gz BYOAWOURXVPJAR-GFCCVEGCSA-N -1 3 388.834 3.359 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737098358 598354182 /nfs/dbraw/zinc/35/41/82/598354182.db2.gz BYOAWOURXVPJAR-GFCCVEGCSA-N -1 3 388.834 3.359 20 0 GGADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820220464 607353493 /nfs/dbraw/zinc/35/34/93/607353493.db2.gz VNQPAFBNYCXCCF-GTNSWQLSSA-N -1 3 398.854 3.376 20 0 GGADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820220464 607353495 /nfs/dbraw/zinc/35/34/95/607353495.db2.gz VNQPAFBNYCXCCF-GTNSWQLSSA-N -1 3 398.854 3.376 20 0 GGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000569704968 598357857 /nfs/dbraw/zinc/35/78/57/598357857.db2.gz XQOVIDOMLKJOOA-SFHVURJKSA-N -1 3 379.464 3.464 20 0 GGADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000569704968 598357859 /nfs/dbraw/zinc/35/78/59/598357859.db2.gz XQOVIDOMLKJOOA-SFHVURJKSA-N -1 3 379.464 3.464 20 0 GGADHM Cc1cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)sc1-c1cccc(Cl)c1 ZINC000737244077 598358287 /nfs/dbraw/zinc/35/82/87/598358287.db2.gz YDCGUDUBCQZYNO-UHFFFAOYSA-N -1 3 385.840 3.024 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000738151527 598358577 /nfs/dbraw/zinc/35/85/77/598358577.db2.gz LFMNLVXZSXSXFK-CABCVRRESA-N -1 3 399.252 3.307 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000738151527 598358579 /nfs/dbraw/zinc/35/85/79/598358579.db2.gz LFMNLVXZSXSXFK-CABCVRRESA-N -1 3 399.252 3.307 20 0 GGADHM O=C(CSc1nnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737954384 598359537 /nfs/dbraw/zinc/35/95/37/598359537.db2.gz YFFGSANRWQBXOF-UHFFFAOYSA-N -1 3 380.458 3.360 20 0 GGADHM O=C(CSc1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737954384 598359539 /nfs/dbraw/zinc/35/95/39/598359539.db2.gz YFFGSANRWQBXOF-UHFFFAOYSA-N -1 3 380.458 3.360 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(O)cc2)n1 ZINC000738232460 598360240 /nfs/dbraw/zinc/36/02/40/598360240.db2.gz QWKSWWUHVKJRLK-UHFFFAOYSA-N -1 3 379.401 3.053 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(O)cc2)n1 ZINC000738232460 598360241 /nfs/dbraw/zinc/36/02/41/598360241.db2.gz QWKSWWUHVKJRLK-UHFFFAOYSA-N -1 3 379.401 3.053 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000736167815 598361695 /nfs/dbraw/zinc/36/16/95/598361695.db2.gz GLZMXZJQVVHXAI-WMZOPIPTSA-N -1 3 391.475 3.115 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000736167806 598361795 /nfs/dbraw/zinc/36/17/95/598361795.db2.gz GLZMXZJQVVHXAI-AEFFLSMTSA-N -1 3 391.475 3.115 20 0 GGADHM Cc1c(NC(=O)Cc2cc(Br)ccc2F)cccc1-c1nnn[n-]1 ZINC000822075791 607349017 /nfs/dbraw/zinc/34/90/17/607349017.db2.gz ITYYOKXWDYZPTF-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113244 598362105 /nfs/dbraw/zinc/36/21/05/598362105.db2.gz LSYFNTXYUZSHSU-ZOCIIQOWSA-N -1 3 392.463 3.147 20 0 GGADHM C[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113244 598362106 /nfs/dbraw/zinc/36/21/06/598362106.db2.gz LSYFNTXYUZSHSU-ZOCIIQOWSA-N -1 3 392.463 3.147 20 0 GGADHM Cc1c(NC(=O)Cc2cc(Br)ccc2F)cccc1-c1nn[n-]n1 ZINC000822075791 607349019 /nfs/dbraw/zinc/34/90/19/607349019.db2.gz ITYYOKXWDYZPTF-UHFFFAOYSA-N -1 3 390.216 3.258 20 0 GGADHM CC1(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCOCC1 ZINC000736200730 598364673 /nfs/dbraw/zinc/36/46/73/598364673.db2.gz BJVDGNYMDJTYDS-UHFFFAOYSA-N -1 3 393.447 3.201 20 0 GGADHM CC1(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCOCC1 ZINC000736200730 598364675 /nfs/dbraw/zinc/36/46/75/598364675.db2.gz BJVDGNYMDJTYDS-UHFFFAOYSA-N -1 3 393.447 3.201 20 0 GGADHM CC(C)(C)c1nc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000735656616 598364731 /nfs/dbraw/zinc/36/47/31/598364731.db2.gz KNJKDYPVIHAJBX-UHFFFAOYSA-N -1 3 376.873 3.455 20 0 GGADHM CC(C)(C)c1nc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000735656616 598364732 /nfs/dbraw/zinc/36/47/32/598364732.db2.gz KNJKDYPVIHAJBX-UHFFFAOYSA-N -1 3 376.873 3.455 20 0 GGADHM C[C@H](NC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736124275 598364918 /nfs/dbraw/zinc/36/49/18/598364918.db2.gz GNRSTYYXFJCPKA-ZDUSSCGKSA-N -1 3 379.468 3.139 20 0 GGADHM C[C@H](NC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736124275 598364919 /nfs/dbraw/zinc/36/49/19/598364919.db2.gz GNRSTYYXFJCPKA-ZDUSSCGKSA-N -1 3 379.468 3.139 20 0 GGADHM Cc1cccc(CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000737391482 598365504 /nfs/dbraw/zinc/36/55/04/598365504.db2.gz BZIKUPXMDAVHGA-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1cccc(CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000737391482 598365505 /nfs/dbraw/zinc/36/55/05/598365505.db2.gz BZIKUPXMDAVHGA-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737511773 598369198 /nfs/dbraw/zinc/36/91/98/598369198.db2.gz OAYVJQAFTGAQKY-CQSZACIVSA-N -1 3 375.839 3.038 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737511773 598369200 /nfs/dbraw/zinc/36/92/00/598369200.db2.gz OAYVJQAFTGAQKY-CQSZACIVSA-N -1 3 375.839 3.038 20 0 GGADHM COc1cc2nc(C)sc2cc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737055522 598369623 /nfs/dbraw/zinc/36/96/23/598369623.db2.gz ONTWIIWUCUMGSB-UHFFFAOYSA-N -1 3 381.421 3.437 20 0 GGADHM COc1cc2nc(C)sc2cc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737055522 598369624 /nfs/dbraw/zinc/36/96/24/598369624.db2.gz ONTWIIWUCUMGSB-UHFFFAOYSA-N -1 3 381.421 3.437 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736153739 598371121 /nfs/dbraw/zinc/37/11/21/598371121.db2.gz ZDORUNODOGJYQH-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736153739 598371123 /nfs/dbraw/zinc/37/11/23/598371123.db2.gz ZDORUNODOGJYQH-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM Cn1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(C2CCCCC2)n1 ZINC000737604723 598371185 /nfs/dbraw/zinc/37/11/85/598371185.db2.gz KGYZURCXBLAMLT-UHFFFAOYSA-N -1 3 384.415 3.144 20 0 GGADHM Cn1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(C2CCCCC2)n1 ZINC000737604723 598371187 /nfs/dbraw/zinc/37/11/87/598371187.db2.gz KGYZURCXBLAMLT-UHFFFAOYSA-N -1 3 384.415 3.144 20 0 GGADHM COc1ccc(NC(=S)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737103959 598378833 /nfs/dbraw/zinc/37/88/33/598378833.db2.gz MNBPIJUPDZZSSS-UHFFFAOYSA-N -1 3 383.481 3.130 20 0 GGADHM COc1ccc(NC(=S)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737103959 598378834 /nfs/dbraw/zinc/37/88/34/598378834.db2.gz MNBPIJUPDZZSSS-UHFFFAOYSA-N -1 3 383.481 3.130 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC000588837866 598379324 /nfs/dbraw/zinc/37/93/24/598379324.db2.gz QVCSNMATVUTYBO-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC000588837866 598379325 /nfs/dbraw/zinc/37/93/25/598379325.db2.gz QVCSNMATVUTYBO-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM Cc1cccc(C2(CNC(=O)COc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737391120 598381657 /nfs/dbraw/zinc/38/16/57/598381657.db2.gz YLACGVWOQZBAHQ-UHFFFAOYSA-N -1 3 391.475 3.182 20 0 GGADHM Cc1cccc(C2(CNC(=O)COc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737391120 598381659 /nfs/dbraw/zinc/38/16/59/598381659.db2.gz YLACGVWOQZBAHQ-UHFFFAOYSA-N -1 3 391.475 3.182 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000737896761 598383653 /nfs/dbraw/zinc/38/36/53/598383653.db2.gz YJLBBJOCQGCJSN-MOPGFXCFSA-N -1 3 376.464 3.121 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821082752 607355645 /nfs/dbraw/zinc/35/56/45/607355645.db2.gz NDUBJMQVFUCYGD-UHFFFAOYSA-N -1 3 392.463 3.380 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821082752 607355647 /nfs/dbraw/zinc/35/56/47/607355647.db2.gz NDUBJMQVFUCYGD-UHFFFAOYSA-N -1 3 392.463 3.380 20 0 GGADHM CN(Cc1ccc(Br)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736816455 598386178 /nfs/dbraw/zinc/38/61/78/598386178.db2.gz HVOSFZFTRLYMCL-UHFFFAOYSA-N -1 3 379.649 3.314 20 0 GGADHM CN(Cc1ccc(Br)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736816455 598386180 /nfs/dbraw/zinc/38/61/80/598386180.db2.gz HVOSFZFTRLYMCL-UHFFFAOYSA-N -1 3 379.649 3.314 20 0 GGADHM Fc1cc([C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)c(Cl)cc1Cl ZINC000737644796 598388399 /nfs/dbraw/zinc/38/83/99/598388399.db2.gz MDYQOYSAVOZUDN-AWEZNQCLSA-N -1 3 395.225 3.286 20 0 GGADHM Fc1cc([C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)c(Cl)cc1Cl ZINC000737644796 598388400 /nfs/dbraw/zinc/38/84/00/598388400.db2.gz MDYQOYSAVOZUDN-AWEZNQCLSA-N -1 3 395.225 3.286 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000735625917 598388975 /nfs/dbraw/zinc/38/89/75/598388975.db2.gz HRITUICTSVLQLF-LLVKDONJSA-N -1 3 394.426 3.204 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000735625917 598388977 /nfs/dbraw/zinc/38/89/77/598388977.db2.gz HRITUICTSVLQLF-LLVKDONJSA-N -1 3 394.426 3.204 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000735625883 598388981 /nfs/dbraw/zinc/38/89/81/598388981.db2.gz GRBVGVOETOMYDN-LBPRGKRZSA-N -1 3 376.436 3.065 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000735624874 598389115 /nfs/dbraw/zinc/38/91/15/598389115.db2.gz BRYVFFRCPHHZBX-GFCCVEGCSA-N -1 3 376.436 3.065 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000735624874 598389117 /nfs/dbraw/zinc/38/91/17/598389117.db2.gz BRYVFFRCPHHZBX-GFCCVEGCSA-N -1 3 376.436 3.065 20 0 GGADHM CCCCNC(=O)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736460652 598389356 /nfs/dbraw/zinc/38/93/56/598389356.db2.gz JHKQWWOPYPARDU-UHFFFAOYSA-N -1 3 385.859 3.057 20 0 GGADHM CCCCNC(=O)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736460652 598389358 /nfs/dbraw/zinc/38/93/58/598389358.db2.gz JHKQWWOPYPARDU-UHFFFAOYSA-N -1 3 385.859 3.057 20 0 GGADHM O=C(NCCOc1ccccc1C(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738086381 598390329 /nfs/dbraw/zinc/39/03/29/598390329.db2.gz XDXSLVHXIMVVLT-UHFFFAOYSA-N -1 3 392.341 3.086 20 0 GGADHM O=C(NCCOc1ccccc1C(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738086381 598390331 /nfs/dbraw/zinc/39/03/31/598390331.db2.gz XDXSLVHXIMVVLT-UHFFFAOYSA-N -1 3 392.341 3.086 20 0 GGADHM CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1C)c1ccc(Cl)cc1 ZINC000736355798 598394440 /nfs/dbraw/zinc/39/44/40/598394440.db2.gz BFADIXVQEVFEHA-INIZCTEOSA-N -1 3 385.855 3.475 20 0 GGADHM CO[C@@](C)(C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000736956360 598394503 /nfs/dbraw/zinc/39/45/03/598394503.db2.gz HOKUMTUBJXZWEN-LJQANCHMSA-N -1 3 383.477 3.307 20 0 GGADHM CO[C@@](C)(C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000736956360 598394504 /nfs/dbraw/zinc/39/45/04/598394504.db2.gz HOKUMTUBJXZWEN-LJQANCHMSA-N -1 3 383.477 3.307 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCc1ccc(C(C)C)cc1 ZINC000737221535 598394939 /nfs/dbraw/zinc/39/49/39/598394939.db2.gz MAMONIBIZZALDX-UHFFFAOYSA-N -1 3 379.464 3.036 20 0 GGADHM COc1ccccc1C/C(C)=C/C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152932 598395995 /nfs/dbraw/zinc/39/59/95/598395995.db2.gz MYDCQUCYKTYRTR-BUYIWHAFSA-N -1 3 377.448 3.242 20 0 GGADHM COc1ccccc1C/C(C)=C/C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152932 598395997 /nfs/dbraw/zinc/39/59/97/598395997.db2.gz MYDCQUCYKTYRTR-BUYIWHAFSA-N -1 3 377.448 3.242 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000737057726 598397409 /nfs/dbraw/zinc/39/74/09/598397409.db2.gz ILXIRSMMDXSFSV-UHFFFAOYSA-N -1 3 381.436 3.091 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000737057726 598397410 /nfs/dbraw/zinc/39/74/10/598397410.db2.gz ILXIRSMMDXSFSV-UHFFFAOYSA-N -1 3 381.436 3.091 20 0 GGADHM Cc1nc(-c2ccc(OCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000737463286 598403681 /nfs/dbraw/zinc/40/36/81/598403681.db2.gz PNTVGNVGYOZTGB-UHFFFAOYSA-N -1 3 392.444 3.316 20 0 GGADHM Cc1nc(-c2ccc(OCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000737463286 598403682 /nfs/dbraw/zinc/40/36/82/598403682.db2.gz PNTVGNVGYOZTGB-UHFFFAOYSA-N -1 3 392.444 3.316 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)N(CC(F)F)C1CC1 ZINC000738272372 598404467 /nfs/dbraw/zinc/40/44/67/598404467.db2.gz BOHBPXBETLFUBJ-UHFFFAOYSA-N -1 3 399.401 3.315 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N(CC(F)F)C1CC1 ZINC000738272372 598404469 /nfs/dbraw/zinc/40/44/69/598404469.db2.gz BOHBPXBETLFUBJ-UHFFFAOYSA-N -1 3 399.401 3.315 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1N1CCCCC1 ZINC000738100493 598413481 /nfs/dbraw/zinc/41/34/81/598413481.db2.gz NPCUUJWIOXITRY-UHFFFAOYSA-N -1 3 395.442 3.318 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1N1CCCCC1 ZINC000738100493 598413482 /nfs/dbraw/zinc/41/34/82/598413482.db2.gz NPCUUJWIOXITRY-UHFFFAOYSA-N -1 3 395.442 3.318 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cccc(OCC(F)(F)F)c1 ZINC000737803116 598414456 /nfs/dbraw/zinc/41/44/56/598414456.db2.gz ROWGDKDJAAYEBZ-CMDGGOBGSA-N -1 3 390.321 3.427 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cccc(OCC(F)(F)F)c1 ZINC000737803116 598414458 /nfs/dbraw/zinc/41/44/58/598414458.db2.gz ROWGDKDJAAYEBZ-CMDGGOBGSA-N -1 3 390.321 3.427 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)Cc1ccc(F)cc1Cl ZINC000735564480 598417752 /nfs/dbraw/zinc/41/77/52/598417752.db2.gz XIXYIQXJVXTECI-LLVKDONJSA-N -1 3 388.834 3.118 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)Cc1ccc(F)cc1Cl ZINC000735564480 598417754 /nfs/dbraw/zinc/41/77/54/598417754.db2.gz XIXYIQXJVXTECI-LLVKDONJSA-N -1 3 388.834 3.118 20 0 GGADHM CSc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cn1 ZINC000737191680 598418567 /nfs/dbraw/zinc/41/85/67/598418567.db2.gz TZGDMALMGZWHKA-MRXNPFEDSA-N -1 3 384.465 3.026 20 0 GGADHM CSc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cn1 ZINC000737191680 598418569 /nfs/dbraw/zinc/41/85/69/598418569.db2.gz TZGDMALMGZWHKA-MRXNPFEDSA-N -1 3 384.465 3.026 20 0 GGADHM Cc1cccc(N(C)C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737397088 598418730 /nfs/dbraw/zinc/41/87/30/598418730.db2.gz SOHLYQZOVKLLLR-UHFFFAOYSA-N -1 3 382.493 3.250 20 0 GGADHM Cc1cccc(N(C)C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737397088 598418731 /nfs/dbraw/zinc/41/87/31/598418731.db2.gz SOHLYQZOVKLLLR-UHFFFAOYSA-N -1 3 382.493 3.250 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1ccccc1-c1nnn[n-]1 ZINC000737853862 598420212 /nfs/dbraw/zinc/42/02/12/598420212.db2.gz WBTLAPBUJCVZFM-UHFFFAOYSA-N -1 3 378.255 3.262 20 0 GGADHM O=C(CCc1cc(Br)cs1)Nc1ccccc1-c1nn[n-]n1 ZINC000737853862 598420214 /nfs/dbraw/zinc/42/02/14/598420214.db2.gz WBTLAPBUJCVZFM-UHFFFAOYSA-N -1 3 378.255 3.262 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)Cc1ccccc1OC ZINC000736638249 598420720 /nfs/dbraw/zinc/42/07/20/598420720.db2.gz YXRLFPIKTIONKW-CQSZACIVSA-N -1 3 395.463 3.481 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)Cc1ccccc1OC ZINC000736638249 598420722 /nfs/dbraw/zinc/42/07/22/598420722.db2.gz YXRLFPIKTIONKW-CQSZACIVSA-N -1 3 395.463 3.481 20 0 GGADHM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c1 ZINC000737395971 598420915 /nfs/dbraw/zinc/42/09/15/598420915.db2.gz DDFWMIVPIRLRSI-UHFFFAOYSA-N -1 3 397.382 3.019 20 0 GGADHM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737395971 598420917 /nfs/dbraw/zinc/42/09/17/598420917.db2.gz DDFWMIVPIRLRSI-UHFFFAOYSA-N -1 3 397.382 3.019 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737153130 598421187 /nfs/dbraw/zinc/42/11/87/598421187.db2.gz QNTFGWSABJZCPS-OAHLLOKOSA-N -1 3 379.464 3.103 20 0 GGADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737153130 598421189 /nfs/dbraw/zinc/42/11/89/598421189.db2.gz QNTFGWSABJZCPS-OAHLLOKOSA-N -1 3 379.464 3.103 20 0 GGADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000736122342 598422687 /nfs/dbraw/zinc/42/26/87/598422687.db2.gz IUBHUINFRGGULL-GFCCVEGCSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000736122342 598422689 /nfs/dbraw/zinc/42/26/89/598422689.db2.gz IUBHUINFRGGULL-GFCCVEGCSA-N -1 3 376.445 3.481 20 0 GGADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737815699 598422868 /nfs/dbraw/zinc/42/28/68/598422868.db2.gz ZZBPWNBPLQQFBF-CQSZACIVSA-N -1 3 388.431 3.414 20 0 GGADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737815699 598422870 /nfs/dbraw/zinc/42/28/70/598422870.db2.gz ZZBPWNBPLQQFBF-CQSZACIVSA-N -1 3 388.431 3.414 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000737933175 598423592 /nfs/dbraw/zinc/42/35/92/598423592.db2.gz UMURYSBJHJZARN-INIZCTEOSA-N -1 3 397.479 3.255 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000737933175 598423594 /nfs/dbraw/zinc/42/35/94/598423594.db2.gz UMURYSBJHJZARN-INIZCTEOSA-N -1 3 397.479 3.255 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736188069 598426040 /nfs/dbraw/zinc/42/60/40/598426040.db2.gz KWOHBBOEOPSLMK-NSHDSACASA-N -1 3 392.337 3.396 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736188069 598426042 /nfs/dbraw/zinc/42/60/42/598426042.db2.gz KWOHBBOEOPSLMK-NSHDSACASA-N -1 3 392.337 3.396 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCc2occc21 ZINC000735874692 598427891 /nfs/dbraw/zinc/42/78/91/598427891.db2.gz MFDOXTMGTQMIQO-KRWDZBQOSA-N -1 3 380.452 3.457 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCc2occc21 ZINC000735874692 598427893 /nfs/dbraw/zinc/42/78/93/598427893.db2.gz MFDOXTMGTQMIQO-KRWDZBQOSA-N -1 3 380.452 3.457 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)CCc1ccco1 ZINC000735993886 598427986 /nfs/dbraw/zinc/42/79/86/598427986.db2.gz UTYGWKXCWHEIBR-OAHLLOKOSA-N -1 3 382.468 3.401 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)CCc1ccco1 ZINC000735993886 598427988 /nfs/dbraw/zinc/42/79/88/598427988.db2.gz UTYGWKXCWHEIBR-OAHLLOKOSA-N -1 3 382.468 3.401 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOc1ccc(F)cc1 ZINC000735875604 598428090 /nfs/dbraw/zinc/42/80/90/598428090.db2.gz WONPHQAZMMHBAC-UHFFFAOYSA-N -1 3 398.442 3.005 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOc1ccc(F)cc1 ZINC000735875604 598428091 /nfs/dbraw/zinc/42/80/91/598428091.db2.gz WONPHQAZMMHBAC-UHFFFAOYSA-N -1 3 398.442 3.005 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000735660199 598428315 /nfs/dbraw/zinc/42/83/15/598428315.db2.gz JMAHOLLKIXZWKP-UHFFFAOYSA-N -1 3 385.497 3.465 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000735660199 598428316 /nfs/dbraw/zinc/42/83/16/598428316.db2.gz JMAHOLLKIXZWKP-UHFFFAOYSA-N -1 3 385.497 3.465 20 0 GGADHM Cc1ccc(OCCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737366869 598428494 /nfs/dbraw/zinc/42/84/94/598428494.db2.gz VTQXWYNKUIPGQQ-UHFFFAOYSA-N -1 3 394.479 3.174 20 0 GGADHM Cc1ccc(OCCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737366869 598428496 /nfs/dbraw/zinc/42/84/96/598428496.db2.gz VTQXWYNKUIPGQQ-UHFFFAOYSA-N -1 3 394.479 3.174 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000736056864 598429892 /nfs/dbraw/zinc/42/98/92/598429892.db2.gz RUKNTPBGTQCAIS-OAHLLOKOSA-N -1 3 394.479 3.124 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000736056864 598429894 /nfs/dbraw/zinc/42/98/94/598429894.db2.gz RUKNTPBGTQCAIS-OAHLLOKOSA-N -1 3 394.479 3.124 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115431 598430006 /nfs/dbraw/zinc/43/00/06/598430006.db2.gz XXHCVDAYYUKXOI-CZUORRHYSA-N -1 3 380.427 3.266 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115431 598430007 /nfs/dbraw/zinc/43/00/07/598430007.db2.gz XXHCVDAYYUKXOI-CZUORRHYSA-N -1 3 380.427 3.266 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000736056863 598430029 /nfs/dbraw/zinc/43/00/29/598430029.db2.gz RUKNTPBGTQCAIS-HNNXBMFYSA-N -1 3 394.479 3.124 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000736056863 598430030 /nfs/dbraw/zinc/43/00/30/598430030.db2.gz RUKNTPBGTQCAIS-HNNXBMFYSA-N -1 3 394.479 3.124 20 0 GGADHM Cc1oc(NC(=O)COC(=O)c2ccccc2C(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000822548294 607354881 /nfs/dbraw/zinc/35/48/81/607354881.db2.gz HMTOGNZSSQXSAQ-UHFFFAOYSA-N -1 3 397.435 3.170 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000822217306 607354916 /nfs/dbraw/zinc/35/49/16/607354916.db2.gz AROIBDJHRHYLCH-ACJLOTCBSA-N -1 3 378.436 3.031 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000822217306 607354917 /nfs/dbraw/zinc/35/49/17/607354917.db2.gz AROIBDJHRHYLCH-ACJLOTCBSA-N -1 3 378.436 3.031 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCc1cnc2ccccc2c1 ZINC000737937043 598434072 /nfs/dbraw/zinc/43/40/72/598434072.db2.gz YVPHNQHPAHFCEB-UHFFFAOYSA-N -1 3 391.456 3.392 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCc1cnc2ccccc2c1 ZINC000737937043 598434074 /nfs/dbraw/zinc/43/40/74/598434074.db2.gz YVPHNQHPAHFCEB-UHFFFAOYSA-N -1 3 391.456 3.392 20 0 GGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738146144 598437815 /nfs/dbraw/zinc/43/78/15/598437815.db2.gz QITZNQUWEWUCRT-UHFFFAOYSA-N -1 3 383.843 3.158 20 0 GGADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738146144 598437816 /nfs/dbraw/zinc/43/78/16/598437816.db2.gz QITZNQUWEWUCRT-UHFFFAOYSA-N -1 3 383.843 3.158 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccccc2-c2nnn[n-]2)o1 ZINC000737152608 598439960 /nfs/dbraw/zinc/43/99/60/598439960.db2.gz MJEBPVCHRLMJJC-UHFFFAOYSA-N -1 3 380.433 3.141 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2ccccc2-c2nn[n-]n2)o1 ZINC000737152608 598439961 /nfs/dbraw/zinc/43/99/61/598439961.db2.gz MJEBPVCHRLMJJC-UHFFFAOYSA-N -1 3 380.433 3.141 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc2c(c1)OCCCO2 ZINC000737296784 598440027 /nfs/dbraw/zinc/44/00/27/598440027.db2.gz OWOLOSDOFWLVHM-UHFFFAOYSA-N -1 3 382.449 3.145 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc2c(c1)OCCCO2 ZINC000737296784 598440029 /nfs/dbraw/zinc/44/00/29/598440029.db2.gz OWOLOSDOFWLVHM-UHFFFAOYSA-N -1 3 382.449 3.145 20 0 GGADHM CCCN1Cc2cccc(NC(=S)Nc3ccccc3-c3nnn[n-]3)c2C1 ZINC000736482293 598441154 /nfs/dbraw/zinc/44/11/54/598441154.db2.gz VYUHHOFVXVKTEC-UHFFFAOYSA-N -1 3 379.493 3.401 20 0 GGADHM CCCN1Cc2cccc(NC(=S)Nc3ccccc3-c3nn[n-]n3)c2C1 ZINC000736482293 598441156 /nfs/dbraw/zinc/44/11/56/598441156.db2.gz VYUHHOFVXVKTEC-UHFFFAOYSA-N -1 3 379.493 3.401 20 0 GGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736198477 598441766 /nfs/dbraw/zinc/44/17/66/598441766.db2.gz JNMFITPSELEYOU-SECBINFHSA-N -1 3 377.235 3.402 20 0 GGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736198477 598441768 /nfs/dbraw/zinc/44/17/68/598441768.db2.gz JNMFITPSELEYOU-SECBINFHSA-N -1 3 377.235 3.402 20 0 GGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737361091 598444960 /nfs/dbraw/zinc/44/49/60/598444960.db2.gz SCDRZBLLDGVHOB-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737361091 598444962 /nfs/dbraw/zinc/44/49/62/598444962.db2.gz SCDRZBLLDGVHOB-UHFFFAOYSA-N -1 3 399.414 3.075 20 0 GGADHM Cc1cccc(Oc2ncccc2NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1C ZINC000737411000 598446981 /nfs/dbraw/zinc/44/69/81/598446981.db2.gz ICPOAJYZDCQTFX-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1cccc(Oc2ncccc2NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1C ZINC000737411000 598446983 /nfs/dbraw/zinc/44/69/83/598446983.db2.gz ICPOAJYZDCQTFX-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737464749 598447118 /nfs/dbraw/zinc/44/71/18/598447118.db2.gz XAJMFQCXGQJKMK-NSHDSACASA-N -1 3 391.460 3.185 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737464749 598447119 /nfs/dbraw/zinc/44/71/19/598447119.db2.gz XAJMFQCXGQJKMK-NSHDSACASA-N -1 3 391.460 3.185 20 0 GGADHM COc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000737073441 598447220 /nfs/dbraw/zinc/44/72/20/598447220.db2.gz QLYSLUYHBJOWEJ-ZDUSSCGKSA-N -1 3 381.436 3.405 20 0 GGADHM COc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000737073441 598447222 /nfs/dbraw/zinc/44/72/22/598447222.db2.gz QLYSLUYHBJOWEJ-ZDUSSCGKSA-N -1 3 381.436 3.405 20 0 GGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736828090 598447376 /nfs/dbraw/zinc/44/73/76/598447376.db2.gz KSWIYXNSZRPHRT-UHFFFAOYSA-N -1 3 385.431 3.150 20 0 GGADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736828090 598447377 /nfs/dbraw/zinc/44/73/77/598447377.db2.gz KSWIYXNSZRPHRT-UHFFFAOYSA-N -1 3 385.431 3.150 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000736181766 598449971 /nfs/dbraw/zinc/44/99/71/598449971.db2.gz ADBLSGRIUFBLCW-LBPRGKRZSA-N -1 3 385.855 3.339 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000736181766 598449972 /nfs/dbraw/zinc/44/99/72/598449972.db2.gz ADBLSGRIUFBLCW-LBPRGKRZSA-N -1 3 385.855 3.339 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000736170645 598449987 /nfs/dbraw/zinc/44/99/87/598449987.db2.gz RCOPKVFSIVCXLB-LBPRGKRZSA-N -1 3 385.855 3.339 20 0 GGADHM COC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736956246 598452807 /nfs/dbraw/zinc/45/28/07/598452807.db2.gz FMSUKLXVRKUOPQ-UHFFFAOYSA-N -1 3 381.436 3.118 20 0 GGADHM COC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736956246 598452808 /nfs/dbraw/zinc/45/28/08/598452808.db2.gz FMSUKLXVRKUOPQ-UHFFFAOYSA-N -1 3 381.436 3.118 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)sc2C)s1 ZINC000737287701 598454508 /nfs/dbraw/zinc/45/45/08/598454508.db2.gz IJLGGRWWLJDBJG-UHFFFAOYSA-N -1 3 383.462 3.316 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)sc2C)s1 ZINC000737287701 598454509 /nfs/dbraw/zinc/45/45/09/598454509.db2.gz IJLGGRWWLJDBJG-UHFFFAOYSA-N -1 3 383.462 3.316 20 0 GGADHM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000737997488 598456110 /nfs/dbraw/zinc/45/61/10/598456110.db2.gz WHRSCFQDJFHQAG-QGZVFWFLSA-N -1 3 391.456 3.478 20 0 GGADHM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000737997488 598456112 /nfs/dbraw/zinc/45/61/12/598456112.db2.gz WHRSCFQDJFHQAG-QGZVFWFLSA-N -1 3 391.456 3.478 20 0 GGADHM Fc1ccc([C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737651378 598458184 /nfs/dbraw/zinc/45/81/84/598458184.db2.gz UDBDZTPIPHCHBV-HNNXBMFYSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1ccc([C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737651378 598458186 /nfs/dbraw/zinc/45/81/86/598458186.db2.gz UDBDZTPIPHCHBV-HNNXBMFYSA-N -1 3 377.782 3.376 20 0 GGADHM Clc1ccc([C@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737571006 598458261 /nfs/dbraw/zinc/45/82/61/598458261.db2.gz PMRNVIVQOHVCIA-CQSZACIVSA-N -1 3 377.235 3.146 20 0 GGADHM Clc1ccc([C@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737571006 598458263 /nfs/dbraw/zinc/45/82/63/598458263.db2.gz PMRNVIVQOHVCIA-CQSZACIVSA-N -1 3 377.235 3.146 20 0 GGADHM O=C(NCCSCc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000738085837 598460564 /nfs/dbraw/zinc/46/05/64/598460564.db2.gz NRMCOJFYYLRFIB-UHFFFAOYSA-N -1 3 390.472 3.078 20 0 GGADHM O=C(NCCSCc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000738085837 598460566 /nfs/dbraw/zinc/46/05/66/598460566.db2.gz NRMCOJFYYLRFIB-UHFFFAOYSA-N -1 3 390.472 3.078 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1)Cc1ccccc1F ZINC000738261212 598462583 /nfs/dbraw/zinc/46/25/83/598462583.db2.gz KKEAPLFWHKECFY-UHFFFAOYSA-N -1 3 388.406 3.243 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1)Cc1ccccc1F ZINC000738261212 598462585 /nfs/dbraw/zinc/46/25/85/598462585.db2.gz KKEAPLFWHKECFY-UHFFFAOYSA-N -1 3 388.406 3.243 20 0 GGADHM C[C@H](NS(=O)(=O)C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736131832 598464285 /nfs/dbraw/zinc/46/42/85/598464285.db2.gz SMPQYPYOYQJYRE-WEHUKYGOSA-N -1 3 389.868 3.171 20 0 GGADHM C[C@H](NS(=O)(=O)C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736131832 598464287 /nfs/dbraw/zinc/46/42/87/598464287.db2.gz SMPQYPYOYQJYRE-WEHUKYGOSA-N -1 3 389.868 3.171 20 0 GGADHM CC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000735496005 598467448 /nfs/dbraw/zinc/46/74/48/598467448.db2.gz RWXRSJFEYIQHGQ-UHFFFAOYSA-N -1 3 376.420 3.266 20 0 GGADHM CC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000735496005 598467450 /nfs/dbraw/zinc/46/74/50/598467450.db2.gz RWXRSJFEYIQHGQ-UHFFFAOYSA-N -1 3 376.420 3.266 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738152453 598468837 /nfs/dbraw/zinc/46/88/37/598468837.db2.gz UEGRRCPODGYESO-MRXNPFEDSA-N -1 3 392.419 3.007 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738152453 598468838 /nfs/dbraw/zinc/46/88/38/598468838.db2.gz UEGRRCPODGYESO-MRXNPFEDSA-N -1 3 392.419 3.007 20 0 GGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)c(Cl)nc1Cl ZINC000738236229 598474123 /nfs/dbraw/zinc/47/41/23/598474123.db2.gz FUSSXEDOBGRTCB-UHFFFAOYSA-N -1 3 386.145 3.204 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)c(Cl)nc1Cl ZINC000738236229 598474125 /nfs/dbraw/zinc/47/41/25/598474125.db2.gz FUSSXEDOBGRTCB-UHFFFAOYSA-N -1 3 386.145 3.204 20 0 GGADHM O=C(Nc1ccc(F)c(F)c1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738165724 598475636 /nfs/dbraw/zinc/47/56/36/598475636.db2.gz NAYWEPFYPQLHIZ-UHFFFAOYSA-N -1 3 388.353 3.481 20 0 GGADHM O=C(Nc1ccc(F)c(F)c1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738165724 598475637 /nfs/dbraw/zinc/47/56/37/598475637.db2.gz NAYWEPFYPQLHIZ-UHFFFAOYSA-N -1 3 388.353 3.481 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000736280844 598476258 /nfs/dbraw/zinc/47/62/58/598476258.db2.gz PLWXHGHGACRMLS-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000736280844 598476259 /nfs/dbraw/zinc/47/62/59/598476259.db2.gz PLWXHGHGACRMLS-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM COCc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737017866 598476309 /nfs/dbraw/zinc/47/63/09/598476309.db2.gz SRMGWRJSFJWPNU-UHFFFAOYSA-N -1 3 378.436 3.210 20 0 GGADHM COCc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737017866 598476311 /nfs/dbraw/zinc/47/63/11/598476311.db2.gz SRMGWRJSFJWPNU-UHFFFAOYSA-N -1 3 378.436 3.210 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H]1CCCc2sccc21 ZINC000820286395 607358204 /nfs/dbraw/zinc/35/82/04/607358204.db2.gz AVJRCWPLKOYMLC-WBMJQRKESA-N -1 3 384.461 3.359 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H]1CCCc2sccc21 ZINC000820286395 607358206 /nfs/dbraw/zinc/35/82/06/607358206.db2.gz AVJRCWPLKOYMLC-WBMJQRKESA-N -1 3 384.461 3.359 20 0 GGADHM COc1cccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737126062 598478132 /nfs/dbraw/zinc/47/81/32/598478132.db2.gz KTEMZVREXPLKON-AWEZNQCLSA-N -1 3 392.463 3.311 20 0 GGADHM COc1cccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737126062 598478133 /nfs/dbraw/zinc/47/81/33/598478133.db2.gz KTEMZVREXPLKON-AWEZNQCLSA-N -1 3 392.463 3.311 20 0 GGADHM O=C(NCc1cc2ccccc2o1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738101780 598478859 /nfs/dbraw/zinc/47/88/59/598478859.db2.gz LSRXUORLBNQWRY-UHFFFAOYSA-N -1 3 388.431 3.487 20 0 GGADHM O=C(NCc1cc2ccccc2o1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738101780 598478861 /nfs/dbraw/zinc/47/88/61/598478861.db2.gz LSRXUORLBNQWRY-UHFFFAOYSA-N -1 3 388.431 3.487 20 0 GGADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000737338232 598479829 /nfs/dbraw/zinc/47/98/29/598479829.db2.gz XYVSAWURQLYVRF-UHFFFAOYSA-N -1 3 390.491 3.400 20 0 GGADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000737338232 598479830 /nfs/dbraw/zinc/47/98/30/598479830.db2.gz XYVSAWURQLYVRF-UHFFFAOYSA-N -1 3 390.491 3.400 20 0 GGADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C2CCCCC2)cc1 ZINC000737908218 598480265 /nfs/dbraw/zinc/48/02/65/598480265.db2.gz JMZVUXMROOLVQM-UHFFFAOYSA-N -1 3 391.431 3.349 20 0 GGADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C2CCCCC2)cc1 ZINC000737908218 598480267 /nfs/dbraw/zinc/48/02/67/598480267.db2.gz JMZVUXMROOLVQM-UHFFFAOYSA-N -1 3 391.431 3.349 20 0 GGADHM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738020311 598480618 /nfs/dbraw/zinc/48/06/18/598480618.db2.gz NEMHYCKOERJZPW-OALUTQOASA-N -1 3 392.438 3.236 20 0 GGADHM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738020311 598480620 /nfs/dbraw/zinc/48/06/20/598480620.db2.gz NEMHYCKOERJZPW-OALUTQOASA-N -1 3 392.438 3.236 20 0 GGADHM COCCn1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000737016096 598481790 /nfs/dbraw/zinc/48/17/90/598481790.db2.gz IXUXYYLXOZSGAY-CQSZACIVSA-N -1 3 391.431 3.386 20 0 GGADHM COCCn1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000737016096 598481792 /nfs/dbraw/zinc/48/17/92/598481792.db2.gz IXUXYYLXOZSGAY-CQSZACIVSA-N -1 3 391.431 3.386 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737546001 598483354 /nfs/dbraw/zinc/48/33/54/598483354.db2.gz AZGJMAXKAHWTLM-NSHDSACASA-N -1 3 379.376 3.270 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737546001 598483355 /nfs/dbraw/zinc/48/33/55/598483355.db2.gz AZGJMAXKAHWTLM-NSHDSACASA-N -1 3 379.376 3.270 20 0 GGADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738075460 598484370 /nfs/dbraw/zinc/48/43/70/598484370.db2.gz JVQFSFJOUBOVJR-UHFFFAOYSA-N -1 3 379.399 3.241 20 0 GGADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738075460 598484372 /nfs/dbraw/zinc/48/43/72/598484372.db2.gz JVQFSFJOUBOVJR-UHFFFAOYSA-N -1 3 379.399 3.241 20 0 GGADHM Cc1nc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000737469910 598484528 /nfs/dbraw/zinc/48/45/28/598484528.db2.gz DWOVMZVWMLARDR-LBPRGKRZSA-N -1 3 385.497 3.313 20 0 GGADHM Cc1nc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000737469910 598484529 /nfs/dbraw/zinc/48/45/29/598484529.db2.gz DWOVMZVWMLARDR-LBPRGKRZSA-N -1 3 385.497 3.313 20 0 GGADHM C[C@H](OC(=O)CSc1nc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155415 598487644 /nfs/dbraw/zinc/48/76/44/598487644.db2.gz MVFRGQHYNIRIBX-NSHDSACASA-N -1 3 381.417 3.404 20 0 GGADHM C[C@H](OC(=O)CSc1nc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155415 598487646 /nfs/dbraw/zinc/48/76/46/598487646.db2.gz MVFRGQHYNIRIBX-NSHDSACASA-N -1 3 381.417 3.404 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000735660990 598489448 /nfs/dbraw/zinc/48/94/48/598489448.db2.gz GTTGPYWTQDCSNX-UHFFFAOYSA-N -1 3 380.239 3.377 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000735660990 598489450 /nfs/dbraw/zinc/48/94/50/598489450.db2.gz GTTGPYWTQDCSNX-UHFFFAOYSA-N -1 3 380.239 3.377 20 0 GGADHM C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158843 598490683 /nfs/dbraw/zinc/49/06/83/598490683.db2.gz SMPLYPHAUFXURR-JTQLQIEISA-N -1 3 393.325 3.121 20 0 GGADHM C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158843 598490685 /nfs/dbraw/zinc/49/06/85/598490685.db2.gz SMPLYPHAUFXURR-JTQLQIEISA-N -1 3 393.325 3.121 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c3c2CCCC3)cc1 ZINC000519433886 598493273 /nfs/dbraw/zinc/49/32/73/598493273.db2.gz HHRHKQXKNVVBNV-UHFFFAOYSA-N -1 3 399.458 3.492 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c3c2CCCC3)cc1 ZINC000519433886 598493274 /nfs/dbraw/zinc/49/32/74/598493274.db2.gz HHRHKQXKNVVBNV-UHFFFAOYSA-N -1 3 399.458 3.492 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738261210 598495441 /nfs/dbraw/zinc/49/54/41/598495441.db2.gz KILAJGHODGUBQW-HXUWFJFHSA-N -1 3 382.427 3.050 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738261210 598495442 /nfs/dbraw/zinc/49/54/42/598495442.db2.gz KILAJGHODGUBQW-HXUWFJFHSA-N -1 3 382.427 3.050 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738261209 598495751 /nfs/dbraw/zinc/49/57/51/598495751.db2.gz KILAJGHODGUBQW-FQEVSTJZSA-N -1 3 382.427 3.050 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738261209 598495752 /nfs/dbraw/zinc/49/57/52/598495752.db2.gz KILAJGHODGUBQW-FQEVSTJZSA-N -1 3 382.427 3.050 20 0 GGADHM CC(C)(C)c1noc(-c2ccccc2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735656184 598496375 /nfs/dbraw/zinc/49/63/75/598496375.db2.gz WHAUGYSFUYFQKW-UHFFFAOYSA-N -1 3 390.403 3.433 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000736182924 598503549 /nfs/dbraw/zinc/50/35/49/598503549.db2.gz HRWYMPAMVMZADY-CYBMUJFWSA-N -1 3 396.426 3.012 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000736182924 598503550 /nfs/dbraw/zinc/50/35/50/598503550.db2.gz HRWYMPAMVMZADY-CYBMUJFWSA-N -1 3 396.426 3.012 20 0 GGADHM COc1cccc(C2(CNc3nnc(C)c(C)c3-c3nnn[n-]3)CCCC2)c1 ZINC000737125317 598503755 /nfs/dbraw/zinc/50/37/55/598503755.db2.gz BFBBABDQCXWMIL-UHFFFAOYSA-N -1 3 379.468 3.206 20 0 GGADHM COc1cccc(C2(CNc3nnc(C)c(C)c3-c3nn[n-]n3)CCCC2)c1 ZINC000737125317 598503756 /nfs/dbraw/zinc/50/37/56/598503756.db2.gz BFBBABDQCXWMIL-UHFFFAOYSA-N -1 3 379.468 3.206 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC(Oc2ccccc2)C1 ZINC000738280010 598511465 /nfs/dbraw/zinc/51/14/65/598511465.db2.gz ZTJVILZXOBBOBD-UHFFFAOYSA-N -1 3 397.438 3.437 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC(Oc2ccccc2)C1 ZINC000738280010 598511467 /nfs/dbraw/zinc/51/14/67/598511467.db2.gz ZTJVILZXOBBOBD-UHFFFAOYSA-N -1 3 397.438 3.437 20 0 GGADHM Cc1ncsc1COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737503559 598511690 /nfs/dbraw/zinc/51/16/90/598511690.db2.gz NYKROUBMRAXLSS-UHFFFAOYSA-N -1 3 397.416 3.161 20 0 GGADHM Cc1ncsc1COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737503559 598511691 /nfs/dbraw/zinc/51/16/91/598511691.db2.gz NYKROUBMRAXLSS-UHFFFAOYSA-N -1 3 397.416 3.161 20 0 GGADHM CCSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cn1 ZINC000736664743 598514109 /nfs/dbraw/zinc/51/41/09/598514109.db2.gz DDORBJGWKWDBAS-UHFFFAOYSA-N -1 3 384.465 3.413 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000736675287 598515535 /nfs/dbraw/zinc/51/55/35/598515535.db2.gz JLKCCCPEDQVMTE-UHFFFAOYSA-N -1 3 379.392 3.095 20 0 GGADHM CCc1c(C)sc(NC(=O)COc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000736675287 598515536 /nfs/dbraw/zinc/51/55/36/598515536.db2.gz JLKCCCPEDQVMTE-UHFFFAOYSA-N -1 3 379.392 3.095 20 0 GGADHM CCN(CC)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000736529399 598515678 /nfs/dbraw/zinc/51/56/78/598515678.db2.gz KJZKDVKKIFWRSG-UHFFFAOYSA-N -1 3 382.443 3.470 20 0 GGADHM CCN(CC)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000736529399 598515679 /nfs/dbraw/zinc/51/56/79/598515679.db2.gz KJZKDVKKIFWRSG-UHFFFAOYSA-N -1 3 382.443 3.470 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736425134 598518097 /nfs/dbraw/zinc/51/80/97/598518097.db2.gz BQPSHJRETDYARV-WBVHZDCISA-N -1 3 379.464 3.162 20 0 GGADHM CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736425134 598518099 /nfs/dbraw/zinc/51/80/99/598518099.db2.gz BQPSHJRETDYARV-WBVHZDCISA-N -1 3 379.464 3.162 20 0 GGADHM CCc1c(C)sc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000736669417 598518565 /nfs/dbraw/zinc/51/85/65/598518565.db2.gz HMVIDDSNVISBBH-HNNXBMFYSA-N -1 3 398.492 3.005 20 0 GGADHM CCc1c(C)sc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000736669417 598518566 /nfs/dbraw/zinc/51/85/66/598518566.db2.gz HMVIDDSNVISBBH-HNNXBMFYSA-N -1 3 398.492 3.005 20 0 GGADHM COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737149095 598520362 /nfs/dbraw/zinc/52/03/62/598520362.db2.gz WGJXCRIZYODYED-RDTXWAMCSA-N -1 3 393.447 3.006 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CC1CC1)C1CCCCC1 ZINC000442956326 598525701 /nfs/dbraw/zinc/52/57/01/598525701.db2.gz IMFKZDJOYGRXQL-UHFFFAOYSA-N -1 3 395.916 3.254 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CC1CC1)C1CCCCC1 ZINC000442956326 598525702 /nfs/dbraw/zinc/52/57/02/598525702.db2.gz IMFKZDJOYGRXQL-UHFFFAOYSA-N -1 3 395.916 3.254 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1c[nH]nc1C1CCCCC1 ZINC000738233712 598532005 /nfs/dbraw/zinc/53/20/05/598532005.db2.gz GKGYMAUIQFHWNS-UHFFFAOYSA-N -1 3 391.435 3.247 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1c[nH]nc1C1CCCCC1 ZINC000738233712 598532006 /nfs/dbraw/zinc/53/20/06/598532006.db2.gz GKGYMAUIQFHWNS-UHFFFAOYSA-N -1 3 391.435 3.247 20 0 GGADHM Nc1nc(S[C@@H]2C=CCCC2)c(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1 ZINC000737776020 598532831 /nfs/dbraw/zinc/53/28/31/598532831.db2.gz GOKMOEORDQOQMO-CYBMUJFWSA-N -1 3 393.476 3.297 20 0 GGADHM Nc1nc(S[C@@H]2C=CCCC2)c(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1 ZINC000737776020 598532832 /nfs/dbraw/zinc/53/28/32/598532832.db2.gz GOKMOEORDQOQMO-CYBMUJFWSA-N -1 3 393.476 3.297 20 0 GGADHM CCc1ccc([C@@H](C)C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736684623 598533399 /nfs/dbraw/zinc/53/33/99/598533399.db2.gz BFQMDDRUDJIJPN-ZIAGYGMSSA-N -1 3 393.447 3.103 20 0 GGADHM CCc1ccc([C@@H](C)C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736684623 598533401 /nfs/dbraw/zinc/53/34/01/598533401.db2.gz BFQMDDRUDJIJPN-ZIAGYGMSSA-N -1 3 393.447 3.103 20 0 GGADHM COc1cccc(C2(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737130963 598533563 /nfs/dbraw/zinc/53/35/63/598533563.db2.gz ZZQVOEOCJPDXJK-UHFFFAOYSA-N -1 3 391.475 3.346 20 0 GGADHM COc1cccc(C2(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737130963 598533564 /nfs/dbraw/zinc/53/35/64/598533564.db2.gz ZZQVOEOCJPDXJK-UHFFFAOYSA-N -1 3 391.475 3.346 20 0 GGADHM COc1cccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737137188 598537721 /nfs/dbraw/zinc/53/77/21/598537721.db2.gz BWYTVFCHILKWSB-UHFFFAOYSA-N -1 3 391.387 3.300 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737336202 598540927 /nfs/dbraw/zinc/54/09/27/598540927.db2.gz YUXKWFKSMZSZBL-JKSUJKDBSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737336202 598540928 /nfs/dbraw/zinc/54/09/28/598540928.db2.gz YUXKWFKSMZSZBL-JKSUJKDBSA-N -1 3 378.480 3.475 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736171196 598541409 /nfs/dbraw/zinc/54/14/09/598541409.db2.gz UMORECMAOMSCFB-LSDHHAIUSA-N -1 3 379.464 3.117 20 0 GGADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736615390 598541565 /nfs/dbraw/zinc/54/15/65/598541565.db2.gz XSBQXPAKRSXQIE-MJGOQNOKSA-N -1 3 393.447 3.118 20 0 GGADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736615390 598541567 /nfs/dbraw/zinc/54/15/67/598541567.db2.gz XSBQXPAKRSXQIE-MJGOQNOKSA-N -1 3 393.447 3.118 20 0 GGADHM CC(C)COCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735836756 598542836 /nfs/dbraw/zinc/54/28/36/598542836.db2.gz DMUFJIRFFSSKHB-UHFFFAOYSA-N -1 3 395.463 3.447 20 0 GGADHM CC(C)COCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735836756 598542839 /nfs/dbraw/zinc/54/28/39/598542839.db2.gz DMUFJIRFFSSKHB-UHFFFAOYSA-N -1 3 395.463 3.447 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1cccn1C ZINC000737281450 598543019 /nfs/dbraw/zinc/54/30/19/598543019.db2.gz ZCMMDBZOZRRCTO-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1cccn1C ZINC000737281450 598543020 /nfs/dbraw/zinc/54/30/20/598543020.db2.gz ZCMMDBZOZRRCTO-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM Cc1ccc(CN(C)C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)s1 ZINC000737337464 598543056 /nfs/dbraw/zinc/54/30/56/598543056.db2.gz NIGCXDSLXOMGJZ-KRWDZBQOSA-N -1 3 385.493 3.299 20 0 GGADHM Cc1ccc(CN(C)C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)s1 ZINC000737337464 598543057 /nfs/dbraw/zinc/54/30/57/598543057.db2.gz NIGCXDSLXOMGJZ-KRWDZBQOSA-N -1 3 385.493 3.299 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000737921914 598546783 /nfs/dbraw/zinc/54/67/83/598546783.db2.gz ZGJGIMMTUUXDRV-UHFFFAOYSA-N -1 3 396.426 3.014 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000737921914 598546785 /nfs/dbraw/zinc/54/67/85/598546785.db2.gz ZGJGIMMTUUXDRV-UHFFFAOYSA-N -1 3 396.426 3.014 20 0 GGADHM Fc1cc(OCc2cc3c(c(Br)c2)OCO3)ccc1-c1nnn[n-]1 ZINC000737652760 598547109 /nfs/dbraw/zinc/54/71/09/598547109.db2.gz OVHSGCGLEBZYBE-UHFFFAOYSA-N -1 3 393.172 3.076 20 0 GGADHM Fc1cc(OCc2cc3c(c(Br)c2)OCO3)ccc1-c1nn[n-]n1 ZINC000737652760 598547111 /nfs/dbraw/zinc/54/71/11/598547111.db2.gz OVHSGCGLEBZYBE-UHFFFAOYSA-N -1 3 393.172 3.076 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(OC(F)F)cc1 ZINC000738146784 598547268 /nfs/dbraw/zinc/54/72/68/598547268.db2.gz RCBICMJATPIPSP-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(OC(F)F)cc1 ZINC000738146784 598547271 /nfs/dbraw/zinc/54/72/71/598547271.db2.gz RCBICMJATPIPSP-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000736504189 598547554 /nfs/dbraw/zinc/54/75/54/598547554.db2.gz AYVGMLFORMAEIX-LBPRGKRZSA-N -1 3 387.390 3.133 20 0 GGADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000736504189 598547556 /nfs/dbraw/zinc/54/75/56/598547556.db2.gz AYVGMLFORMAEIX-LBPRGKRZSA-N -1 3 387.390 3.133 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)NCC1(c2ccccc2)CCCC1 ZINC000737918342 598547932 /nfs/dbraw/zinc/54/79/32/598547932.db2.gz BJFAJJOCMLJGTG-UHFFFAOYSA-N -1 3 395.438 3.013 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)NCC1(c2ccccc2)CCCC1 ZINC000737918342 598547934 /nfs/dbraw/zinc/54/79/34/598547934.db2.gz BJFAJJOCMLJGTG-UHFFFAOYSA-N -1 3 395.438 3.013 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1F ZINC000737023815 598552316 /nfs/dbraw/zinc/55/23/16/598552316.db2.gz DYAQKUVXANSJCD-VIFPVBQESA-N -1 3 376.775 3.377 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1F ZINC000737023815 598552318 /nfs/dbraw/zinc/55/23/18/598552318.db2.gz DYAQKUVXANSJCD-VIFPVBQESA-N -1 3 376.775 3.377 20 0 GGADHM C[C@H](C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1F ZINC000735517506 598552651 /nfs/dbraw/zinc/55/26/51/598552651.db2.gz BMHKKQPGCBYYTG-AWEZNQCLSA-N -1 3 395.438 3.179 20 0 GGADHM C[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1F ZINC000735517506 598552652 /nfs/dbraw/zinc/55/26/52/598552652.db2.gz BMHKKQPGCBYYTG-AWEZNQCLSA-N -1 3 395.438 3.179 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1n[nH]c2c1CCC2 ZINC000738171150 598557343 /nfs/dbraw/zinc/55/73/43/598557343.db2.gz CQPYFSJQNUUEKL-UHFFFAOYSA-N -1 3 387.403 3.123 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1n[nH]c2c1CCC2 ZINC000738171150 598557344 /nfs/dbraw/zinc/55/73/44/598557344.db2.gz CQPYFSJQNUUEKL-UHFFFAOYSA-N -1 3 387.403 3.123 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)c(F)c1)c1cc(Cl)ccc1Cl ZINC000738337863 598559088 /nfs/dbraw/zinc/55/90/88/598559088.db2.gz AKLXHOPKESVNIQ-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)c(F)c1)c1cc(Cl)ccc1Cl ZINC000738337863 598559090 /nfs/dbraw/zinc/55/90/90/598559090.db2.gz AKLXHOPKESVNIQ-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736323248 598559643 /nfs/dbraw/zinc/55/96/43/598559643.db2.gz CXIHOOMXABMAMD-ZIAGYGMSSA-N -1 3 380.452 3.374 20 0 GGADHM CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736323248 598559644 /nfs/dbraw/zinc/55/96/44/598559644.db2.gz CXIHOOMXABMAMD-ZIAGYGMSSA-N -1 3 380.452 3.374 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccs1 ZINC000736116154 598559877 /nfs/dbraw/zinc/55/98/77/598559877.db2.gz DDSVXEBOGZWUKX-MRVPVSSYSA-N -1 3 380.380 3.412 20 0 GGADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccs1 ZINC000736116154 598559878 /nfs/dbraw/zinc/55/98/78/598559878.db2.gz DDSVXEBOGZWUKX-MRVPVSSYSA-N -1 3 380.380 3.412 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C)c(OC)c1 ZINC000736627775 598560242 /nfs/dbraw/zinc/56/02/42/598560242.db2.gz MZAZPCMFSCGMFB-UHFFFAOYSA-N -1 3 388.811 3.455 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C)c(OC)c1 ZINC000736627775 598560243 /nfs/dbraw/zinc/56/02/43/598560243.db2.gz MZAZPCMFSCGMFB-UHFFFAOYSA-N -1 3 388.811 3.455 20 0 GGADHM C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736268189 598560376 /nfs/dbraw/zinc/56/03/76/598560376.db2.gz DDVBQNZHWNJTEW-CMPLNLGQSA-N -1 3 380.399 3.416 20 0 GGADHM C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736268189 598560379 /nfs/dbraw/zinc/56/03/79/598560379.db2.gz DDVBQNZHWNJTEW-CMPLNLGQSA-N -1 3 380.399 3.416 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820391125 607360792 /nfs/dbraw/zinc/36/07/92/607360792.db2.gz NKFQTJCESCTVKH-CPFSXVBKSA-N -1 3 398.275 3.087 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820391125 607360794 /nfs/dbraw/zinc/36/07/94/607360794.db2.gz NKFQTJCESCTVKH-CPFSXVBKSA-N -1 3 398.275 3.087 20 0 GGADHM O=C(NCc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738102749 598561201 /nfs/dbraw/zinc/56/12/01/598561201.db2.gz BWPGWSZFYOSQAE-UHFFFAOYSA-N -1 3 394.769 3.443 20 0 GGADHM O=C(NCc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738102749 598561202 /nfs/dbraw/zinc/56/12/02/598561202.db2.gz BWPGWSZFYOSQAE-UHFFFAOYSA-N -1 3 394.769 3.443 20 0 GGADHM CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736440711 598564832 /nfs/dbraw/zinc/56/48/32/598564832.db2.gz FUTZLYCTYQQVDE-GOSISDBHSA-N -1 3 392.463 3.243 20 0 GGADHM CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736440711 598564833 /nfs/dbraw/zinc/56/48/33/598564833.db2.gz FUTZLYCTYQQVDE-GOSISDBHSA-N -1 3 392.463 3.243 20 0 GGADHM Cc1cnc(-c2cccc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737445924 598565922 /nfs/dbraw/zinc/56/59/22/598565922.db2.gz LSMPRFAXUQHWHZ-UHFFFAOYSA-N -1 3 389.419 3.494 20 0 GGADHM Cc1cnc(-c2cccc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737445924 598565923 /nfs/dbraw/zinc/56/59/23/598565923.db2.gz LSMPRFAXUQHWHZ-UHFFFAOYSA-N -1 3 389.419 3.494 20 0 GGADHM C[C@@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1ccccc1Br ZINC000736137037 598566068 /nfs/dbraw/zinc/56/60/68/598566068.db2.gz JVXSMIPIUIPXFW-SNVBAGLBSA-N -1 3 384.241 3.450 20 0 GGADHM C[C@@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1ccccc1Br ZINC000736137037 598566069 /nfs/dbraw/zinc/56/60/69/598566069.db2.gz JVXSMIPIUIPXFW-SNVBAGLBSA-N -1 3 384.241 3.450 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737355160 598570505 /nfs/dbraw/zinc/57/05/05/598570505.db2.gz AQULNUQPZPELQM-QGZVFWFLSA-N -1 3 382.855 3.436 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737216296 598570532 /nfs/dbraw/zinc/57/05/32/598570532.db2.gz QNMIDWFTQFIIAR-KRWDZBQOSA-N -1 3 382.855 3.436 20 0 GGADHM CSc1ccc(Cl)c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230823 607358734 /nfs/dbraw/zinc/35/87/34/607358734.db2.gz KZAPXYOTAVMTCI-UHFFFAOYSA-N -1 3 388.836 3.282 20 0 GGADHM CSc1ccc(Cl)c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230823 607358736 /nfs/dbraw/zinc/35/87/36/607358736.db2.gz KZAPXYOTAVMTCI-UHFFFAOYSA-N -1 3 388.836 3.282 20 0 GGADHM O=C(OCCCc1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738219340 598571370 /nfs/dbraw/zinc/57/13/70/598571370.db2.gz CPGWRDKVGUQBLT-LJQANCHMSA-N -1 3 377.448 3.012 20 0 GGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736330019 598571888 /nfs/dbraw/zinc/57/18/88/598571888.db2.gz VSTQKWITDODUHP-GFCCVEGCSA-N -1 3 376.424 3.143 20 0 GGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736330019 598571889 /nfs/dbraw/zinc/57/18/89/598571889.db2.gz VSTQKWITDODUHP-GFCCVEGCSA-N -1 3 376.424 3.143 20 0 GGADHM CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736683480 598576037 /nfs/dbraw/zinc/57/60/37/598576037.db2.gz DPNQFILJDCWASY-FOIQADDNSA-N -1 3 390.491 3.275 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737422960 598576354 /nfs/dbraw/zinc/57/63/54/598576354.db2.gz PTEMKJRSWQSSLH-KXBFYZLASA-N -1 3 376.464 3.021 20 0 GGADHM Cc1cc(C)c(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737245540 598577356 /nfs/dbraw/zinc/57/73/56/598577356.db2.gz FBGKLPRTIMKFJQ-HXUWFJFHSA-N -1 3 390.491 3.077 20 0 GGADHM O=C(NCc1cccc2ccccc21)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738115272 598577777 /nfs/dbraw/zinc/57/77/77/598577777.db2.gz ASMUNMSUWFCZCU-OAQYLSRUSA-N -1 3 398.470 3.305 20 0 GGADHM CCCCNC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736456197 598578516 /nfs/dbraw/zinc/57/85/16/598578516.db2.gz FFNFBKVOZFDYBM-LBPRGKRZSA-N -1 3 396.417 3.018 20 0 GGADHM CCCCNC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736456197 598578517 /nfs/dbraw/zinc/57/85/17/598578517.db2.gz FFNFBKVOZFDYBM-LBPRGKRZSA-N -1 3 396.417 3.018 20 0 GGADHM COC(=O)c1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)C2 ZINC000736950237 598580300 /nfs/dbraw/zinc/58/03/00/598580300.db2.gz ZAKUERPMRNVXHN-UHFFFAOYSA-N -1 3 389.337 3.192 20 0 GGADHM COC(=O)c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)C2 ZINC000736950237 598580301 /nfs/dbraw/zinc/58/03/01/598580301.db2.gz ZAKUERPMRNVXHN-UHFFFAOYSA-N -1 3 389.337 3.192 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736190666 598583435 /nfs/dbraw/zinc/58/34/35/598583435.db2.gz XBNIBZMXPSZETD-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736190666 598583436 /nfs/dbraw/zinc/58/34/36/598583436.db2.gz XBNIBZMXPSZETD-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2)n1 ZINC000737257228 598583656 /nfs/dbraw/zinc/58/36/56/598583656.db2.gz RGYXIIHLLCSLFY-UHFFFAOYSA-N -1 3 391.410 3.120 20 0 GGADHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2)n1 ZINC000737257228 598583658 /nfs/dbraw/zinc/58/36/58/598583658.db2.gz RGYXIIHLLCSLFY-UHFFFAOYSA-N -1 3 391.410 3.120 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccnc(Oc2ccccc2)c1 ZINC000738164983 598584091 /nfs/dbraw/zinc/58/40/91/598584091.db2.gz AKKTWOXXAXHFDR-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccnc(Oc2ccccc2)c1 ZINC000738164983 598584093 /nfs/dbraw/zinc/58/40/93/598584093.db2.gz AKKTWOXXAXHFDR-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CC(C)Oc1ncc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000735914396 598584516 /nfs/dbraw/zinc/58/45/16/598584516.db2.gz RPRYKRBZVNFFSH-UHFFFAOYSA-N -1 3 376.779 3.094 20 0 GGADHM CC(C)Oc1ncc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000735914396 598584518 /nfs/dbraw/zinc/58/45/18/598584518.db2.gz RPRYKRBZVNFFSH-UHFFFAOYSA-N -1 3 376.779 3.094 20 0 GGADHM O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737919866 598585220 /nfs/dbraw/zinc/58/52/20/598585220.db2.gz YUUGTTQYZIGFFN-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737919866 598585222 /nfs/dbraw/zinc/58/52/22/598585222.db2.gz YUUGTTQYZIGFFN-UHFFFAOYSA-N -1 3 381.289 3.042 20 0 GGADHM O=C(CCOc1ccc(F)cc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737849004 598585363 /nfs/dbraw/zinc/58/53/63/598585363.db2.gz VVJRPRXTGHOOBO-UHFFFAOYSA-N -1 3 379.754 3.206 20 0 GGADHM O=C(CCOc1ccc(F)cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737849004 598585364 /nfs/dbraw/zinc/58/53/64/598585364.db2.gz VVJRPRXTGHOOBO-UHFFFAOYSA-N -1 3 379.754 3.206 20 0 GGADHM O=C1[C@H](Sc2ccnc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738297131 598585516 /nfs/dbraw/zinc/58/55/16/598585516.db2.gz PQXWNXYFXLABGF-GOSISDBHSA-N -1 3 388.456 3.313 20 0 GGADHM O=C1[C@H](Sc2ccnc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738297131 598585517 /nfs/dbraw/zinc/58/55/17/598585517.db2.gz PQXWNXYFXLABGF-GOSISDBHSA-N -1 3 388.456 3.313 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000738166632 598585782 /nfs/dbraw/zinc/58/57/82/598585782.db2.gz KUCFTOXIDZNFEK-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000738166632 598585784 /nfs/dbraw/zinc/58/57/84/598585784.db2.gz KUCFTOXIDZNFEK-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccnc1SC(F)(F)F ZINC000738165981 598585894 /nfs/dbraw/zinc/58/58/94/598585894.db2.gz NXWXZCHJNZHQEJ-UHFFFAOYSA-N -1 3 384.318 3.265 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccnc1SC(F)(F)F ZINC000738165981 598585895 /nfs/dbraw/zinc/58/58/95/598585895.db2.gz NXWXZCHJNZHQEJ-UHFFFAOYSA-N -1 3 384.318 3.265 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCCCCC2)nc1 ZINC000738167283 598586788 /nfs/dbraw/zinc/58/67/88/598586788.db2.gz QJHVNKAHEHZFJE-UHFFFAOYSA-N -1 3 381.415 3.034 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCCCCC2)nc1 ZINC000738167283 598586789 /nfs/dbraw/zinc/58/67/89/598586789.db2.gz QJHVNKAHEHZFJE-UHFFFAOYSA-N -1 3 381.415 3.034 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCc1ccccc1F ZINC000735732977 598587590 /nfs/dbraw/zinc/58/75/90/598587590.db2.gz DIWMXZGYJQQAIG-LJQANCHMSA-N -1 3 397.454 3.110 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCc1ccccc1F ZINC000735732977 598587593 /nfs/dbraw/zinc/58/75/93/598587593.db2.gz DIWMXZGYJQQAIG-LJQANCHMSA-N -1 3 397.454 3.110 20 0 GGADHM COc1ccc2nc(C)c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2c1 ZINC000737120172 598587667 /nfs/dbraw/zinc/58/76/67/598587667.db2.gz LAEFDJOYSOTDTA-UHFFFAOYSA-N -1 3 378.367 3.123 20 0 GGADHM COc1ccc2nc(C)c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2c1 ZINC000737120172 598587668 /nfs/dbraw/zinc/58/76/68/598587668.db2.gz LAEFDJOYSOTDTA-UHFFFAOYSA-N -1 3 378.367 3.123 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(OCc2cscn2)c1 ZINC000738167288 598588563 /nfs/dbraw/zinc/58/85/63/598588563.db2.gz QOXKTJATJGFSLX-UHFFFAOYSA-N -1 3 396.407 3.294 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(OCc2cscn2)c1 ZINC000738167288 598588565 /nfs/dbraw/zinc/58/85/65/598588565.db2.gz QOXKTJATJGFSLX-UHFFFAOYSA-N -1 3 396.407 3.294 20 0 GGADHM O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737946583 598589991 /nfs/dbraw/zinc/58/99/91/598589991.db2.gz IPRVHCNDVKTORU-UHFFFAOYSA-N -1 3 398.345 3.150 20 0 GGADHM O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737946583 598589992 /nfs/dbraw/zinc/58/99/92/598589992.db2.gz IPRVHCNDVKTORU-UHFFFAOYSA-N -1 3 398.345 3.150 20 0 GGADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21)c1ccccn1 ZINC000736139914 598591850 /nfs/dbraw/zinc/59/18/50/598591850.db2.gz RVDQJGXJOCOHDA-SNVBAGLBSA-N -1 3 383.362 3.006 20 0 GGADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21)c1ccccn1 ZINC000736139914 598591851 /nfs/dbraw/zinc/59/18/51/598591851.db2.gz RVDQJGXJOCOHDA-SNVBAGLBSA-N -1 3 383.362 3.006 20 0 GGADHM CCC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C1CCCCC1 ZINC000736430569 598593293 /nfs/dbraw/zinc/59/32/93/598593293.db2.gz XWMIMESGFZPIIF-INIZCTEOSA-N -1 3 387.484 3.119 20 0 GGADHM CCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C1CCCCC1 ZINC000736430569 598593295 /nfs/dbraw/zinc/59/32/95/598593295.db2.gz XWMIMESGFZPIIF-INIZCTEOSA-N -1 3 387.484 3.119 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)c1cccnc1 ZINC000738171179 598594366 /nfs/dbraw/zinc/59/43/66/598594366.db2.gz FDNRLKSFYAGHIS-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)c1cccnc1 ZINC000738171179 598594368 /nfs/dbraw/zinc/59/43/68/598594368.db2.gz FDNRLKSFYAGHIS-UHFFFAOYSA-N -1 3 390.378 3.232 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)n1Cc1ccccn1 ZINC000737237992 598600875 /nfs/dbraw/zinc/60/08/75/598600875.db2.gz GGNCRXVRVZKKTF-UHFFFAOYSA-N -1 3 391.410 3.120 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)n1Cc1ccccn1 ZINC000737237992 598600876 /nfs/dbraw/zinc/60/08/76/598600876.db2.gz GGNCRXVRVZKKTF-UHFFFAOYSA-N -1 3 391.410 3.120 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)n1-c1nccs1 ZINC000737238341 598600993 /nfs/dbraw/zinc/60/09/93/598600993.db2.gz LIDOGXYKMVHIKN-UHFFFAOYSA-N -1 3 383.412 3.122 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)n1-c1nccs1 ZINC000737238341 598600994 /nfs/dbraw/zinc/60/09/94/598600994.db2.gz LIDOGXYKMVHIKN-UHFFFAOYSA-N -1 3 383.412 3.122 20 0 GGADHM c1cc(COc2cccc(Nc3ncnc4c3CCC4)c2)cc(-c2nnn[n-]2)c1 ZINC000738420011 598601199 /nfs/dbraw/zinc/60/11/99/598601199.db2.gz VSHGZUKUHFWSFV-UHFFFAOYSA-N -1 3 385.431 3.468 20 0 GGADHM c1cc(COc2cccc(Nc3ncnc4c3CCC4)c2)cc(-c2nn[n-]n2)c1 ZINC000738420011 598601201 /nfs/dbraw/zinc/60/12/01/598601201.db2.gz VSHGZUKUHFWSFV-UHFFFAOYSA-N -1 3 385.431 3.468 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)s2)cs1 ZINC000737462930 598606314 /nfs/dbraw/zinc/60/63/14/598606314.db2.gz AWGJGCMUQBRAAM-UHFFFAOYSA-N -1 3 382.474 3.290 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)s2)cs1 ZINC000737462930 598606315 /nfs/dbraw/zinc/60/63/15/598606315.db2.gz AWGJGCMUQBRAAM-UHFFFAOYSA-N -1 3 382.474 3.290 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737925618 598609564 /nfs/dbraw/zinc/60/95/64/598609564.db2.gz WDTZEPCKANOPAA-MJGOQNOKSA-N -1 3 391.475 3.163 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737925618 598609566 /nfs/dbraw/zinc/60/95/66/598609566.db2.gz WDTZEPCKANOPAA-MJGOQNOKSA-N -1 3 391.475 3.163 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737960371 598609584 /nfs/dbraw/zinc/60/95/84/598609584.db2.gz FGIQSZDSSKPHEY-UXHICEINSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737960371 598609586 /nfs/dbraw/zinc/60/95/86/598609586.db2.gz FGIQSZDSSKPHEY-UXHICEINSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(COC(=O)c1ccc(-c2ccccc2F)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416219 607362776 /nfs/dbraw/zinc/36/27/76/607362776.db2.gz OGAQTGBCFVHKAC-UHFFFAOYSA-N -1 3 392.346 3.306 20 0 GGADHM O=C(COC(=O)c1ccc(-c2ccccc2F)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416219 607362777 /nfs/dbraw/zinc/36/27/77/607362777.db2.gz OGAQTGBCFVHKAC-UHFFFAOYSA-N -1 3 392.346 3.306 20 0 GGADHM O=C(OCc1ccc(Cl)s1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738232129 598621189 /nfs/dbraw/zinc/62/11/89/598621189.db2.gz PLNLBIUKAUUXAR-CQSZACIVSA-N -1 3 389.868 3.294 20 0 GGADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736554983 598626079 /nfs/dbraw/zinc/62/60/79/598626079.db2.gz IFISXIOYXGBZHI-UHFFFAOYSA-N -1 3 376.342 3.338 20 0 GGADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736554983 598626080 /nfs/dbraw/zinc/62/60/80/598626080.db2.gz IFISXIOYXGBZHI-UHFFFAOYSA-N -1 3 376.342 3.338 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737201100 598626082 /nfs/dbraw/zinc/62/60/82/598626082.db2.gz YSOXXKMGBAJZMP-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737201100 598626083 /nfs/dbraw/zinc/62/60/83/598626083.db2.gz YSOXXKMGBAJZMP-UHFFFAOYSA-N -1 3 379.399 3.160 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000738166673 598626975 /nfs/dbraw/zinc/62/69/75/598626975.db2.gz LMXRNDPTLNZATN-OAHLLOKOSA-N -1 3 386.362 3.180 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000738166673 598626976 /nfs/dbraw/zinc/62/69/76/598626976.db2.gz LMXRNDPTLNZATN-OAHLLOKOSA-N -1 3 386.362 3.180 20 0 GGADHM O=C(NCCOc1cccc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738085688 598628303 /nfs/dbraw/zinc/62/83/03/598628303.db2.gz LFSIVDLWBHLNOZ-UHFFFAOYSA-N -1 3 392.394 3.360 20 0 GGADHM O=C(NCCOc1cccc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738085688 598628305 /nfs/dbraw/zinc/62/83/05/598628305.db2.gz LFSIVDLWBHLNOZ-UHFFFAOYSA-N -1 3 392.394 3.360 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737154008 598628314 /nfs/dbraw/zinc/62/83/14/598628314.db2.gz WZFYGZXNTSNQFU-HNNXBMFYSA-N -1 3 396.426 3.253 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737154008 598628316 /nfs/dbraw/zinc/62/83/16/598628316.db2.gz WZFYGZXNTSNQFU-HNNXBMFYSA-N -1 3 396.426 3.253 20 0 GGADHM COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737128379 598631384 /nfs/dbraw/zinc/63/13/84/598631384.db2.gz DIBLIEYGVJTUCJ-KRWDZBQOSA-N -1 3 382.399 3.383 20 0 GGADHM COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737128379 598631386 /nfs/dbraw/zinc/63/13/86/598631386.db2.gz DIBLIEYGVJTUCJ-KRWDZBQOSA-N -1 3 382.399 3.383 20 0 GGADHM CC(C)CNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735835726 598633629 /nfs/dbraw/zinc/63/36/29/598633629.db2.gz LZPGBXVRPUCUTB-UHFFFAOYSA-N -1 3 384.415 3.362 20 0 GGADHM CC(C)CNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735835726 598633631 /nfs/dbraw/zinc/63/36/31/598633631.db2.gz LZPGBXVRPUCUTB-UHFFFAOYSA-N -1 3 384.415 3.362 20 0 GGADHM FC(F)(F)COc1ncccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737627886 598633682 /nfs/dbraw/zinc/63/36/82/598633682.db2.gz REJZJJIQIVCNSX-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM FC(F)(F)COc1ncccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737627886 598633684 /nfs/dbraw/zinc/63/36/84/598633684.db2.gz REJZJJIQIVCNSX-UHFFFAOYSA-N -1 3 384.749 3.468 20 0 GGADHM CN(CC1CC1)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736793891 598634033 /nfs/dbraw/zinc/63/40/33/598634033.db2.gz NQLPLVWXDWACAP-UHFFFAOYSA-N -1 3 396.426 3.459 20 0 GGADHM CN(CC1CC1)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736793891 598634036 /nfs/dbraw/zinc/63/40/36/598634036.db2.gz NQLPLVWXDWACAP-UHFFFAOYSA-N -1 3 396.426 3.459 20 0 GGADHM O=C(NCC1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000738045767 598634175 /nfs/dbraw/zinc/63/41/75/598634175.db2.gz QTKFRANGZBXARH-UHFFFAOYSA-N -1 3 382.399 3.116 20 0 GGADHM O=C(NCC1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000738045767 598634177 /nfs/dbraw/zinc/63/41/77/598634177.db2.gz QTKFRANGZBXARH-UHFFFAOYSA-N -1 3 382.399 3.116 20 0 GGADHM O=C(Nc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC000738183750 598635636 /nfs/dbraw/zinc/63/56/36/598635636.db2.gz NBZZIKJUJXRZCK-QGZVFWFLSA-N -1 3 398.854 3.250 20 0 GGADHM O=C(Nc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC000738183750 598635638 /nfs/dbraw/zinc/63/56/38/598635638.db2.gz NBZZIKJUJXRZCK-QGZVFWFLSA-N -1 3 398.854 3.250 20 0 GGADHM O=C(Nc1ccccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738189233 598645812 /nfs/dbraw/zinc/64/58/12/598645812.db2.gz DFMRBHBCVHKJMT-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738189233 598645813 /nfs/dbraw/zinc/64/58/13/598645813.db2.gz DFMRBHBCVHKJMT-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCCc1ccccc1 ZINC000737832727 598645821 /nfs/dbraw/zinc/64/58/21/598645821.db2.gz KSXOYPDRLRJVHH-UHFFFAOYSA-N -1 3 379.464 3.165 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCCc1ccccc1 ZINC000737832727 598645822 /nfs/dbraw/zinc/64/58/22/598645822.db2.gz KSXOYPDRLRJVHH-UHFFFAOYSA-N -1 3 379.464 3.165 20 0 GGADHM COc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737090434 598646742 /nfs/dbraw/zinc/64/67/42/598646742.db2.gz OGCRWCANOVEEKO-UHFFFAOYSA-N -1 3 395.463 3.083 20 0 GGADHM COc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737090434 598646743 /nfs/dbraw/zinc/64/67/43/598646743.db2.gz OGCRWCANOVEEKO-UHFFFAOYSA-N -1 3 395.463 3.083 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1nc2c(s1)CCCC2 ZINC000737840694 598647615 /nfs/dbraw/zinc/64/76/15/598647615.db2.gz DRKCKILWRMFRNS-UHFFFAOYSA-N -1 3 398.492 3.390 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1nc2c(s1)CCCC2 ZINC000737840694 598647616 /nfs/dbraw/zinc/64/76/16/598647616.db2.gz DRKCKILWRMFRNS-UHFFFAOYSA-N -1 3 398.492 3.390 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000737832273 598648520 /nfs/dbraw/zinc/64/85/20/598648520.db2.gz IEQJKASSAFUFMK-CQSZACIVSA-N -1 3 397.401 3.217 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000737832273 598648522 /nfs/dbraw/zinc/64/85/22/598648522.db2.gz IEQJKASSAFUFMK-CQSZACIVSA-N -1 3 397.401 3.217 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCOc2ccccc21 ZINC000737833462 598649285 /nfs/dbraw/zinc/64/92/85/598649285.db2.gz SHTDJSXMWOYAJM-GOSISDBHSA-N -1 3 393.447 3.056 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCOc2ccccc21 ZINC000737833462 598649287 /nfs/dbraw/zinc/64/92/87/598649287.db2.gz SHTDJSXMWOYAJM-GOSISDBHSA-N -1 3 393.447 3.056 20 0 GGADHM COc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737073078 598650292 /nfs/dbraw/zinc/65/02/92/598650292.db2.gz PJKARLAWJRWYPP-HNNXBMFYSA-N -1 3 395.463 3.302 20 0 GGADHM COc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737073078 598650294 /nfs/dbraw/zinc/65/02/94/598650294.db2.gz PJKARLAWJRWYPP-HNNXBMFYSA-N -1 3 395.463 3.302 20 0 GGADHM C[C@H](Cc1ccco1)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736065617 598650868 /nfs/dbraw/zinc/65/08/68/598650868.db2.gz FLCGLBMKEWXGPD-CYBMUJFWSA-N -1 3 390.403 3.008 20 0 GGADHM C[C@H](Cc1ccco1)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736065617 598650870 /nfs/dbraw/zinc/65/08/70/598650870.db2.gz FLCGLBMKEWXGPD-CYBMUJFWSA-N -1 3 390.403 3.008 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccco1)c1ccccc1 ZINC000737944244 598651052 /nfs/dbraw/zinc/65/10/52/598651052.db2.gz YULFMBLSHIZHGF-IBGZPJMESA-N -1 3 391.456 3.458 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccco1)c1ccccc1 ZINC000737944244 598651053 /nfs/dbraw/zinc/65/10/53/598651053.db2.gz YULFMBLSHIZHGF-IBGZPJMESA-N -1 3 391.456 3.458 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000735963963 598651097 /nfs/dbraw/zinc/65/10/97/598651097.db2.gz SHJMRJXCXHFWJU-ZDUSSCGKSA-N -1 3 390.447 3.457 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000735963963 598651098 /nfs/dbraw/zinc/65/10/98/598651098.db2.gz SHJMRJXCXHFWJU-ZDUSSCGKSA-N -1 3 390.447 3.457 20 0 GGADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC ZINC000736501175 598651728 /nfs/dbraw/zinc/65/17/28/598651728.db2.gz ADTYOBVGJSCRLB-UHFFFAOYSA-N -1 3 395.463 3.478 20 0 GGADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000736501175 598651729 /nfs/dbraw/zinc/65/17/29/598651729.db2.gz ADTYOBVGJSCRLB-UHFFFAOYSA-N -1 3 395.463 3.478 20 0 GGADHM Cc1cccc([C@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)N2CCOCC2)c1 ZINC000737388687 598651897 /nfs/dbraw/zinc/65/18/97/598651897.db2.gz LGDSABDARNEOQK-IBGZPJMESA-N -1 3 398.898 3.314 20 0 GGADHM Cc1cccc([C@H](CNc2ccc(-c3nn[n-]n3)c(Cl)c2)N2CCOCC2)c1 ZINC000737388687 598651899 /nfs/dbraw/zinc/65/18/99/598651899.db2.gz LGDSABDARNEOQK-IBGZPJMESA-N -1 3 398.898 3.314 20 0 GGADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737823491 598653693 /nfs/dbraw/zinc/65/36/93/598653693.db2.gz HPKJREPWZWZFJH-INIZCTEOSA-N -1 3 394.435 3.342 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCc2cc(F)c(F)cc21 ZINC000737832758 598654017 /nfs/dbraw/zinc/65/40/17/598654017.db2.gz LKUBZTWCSJIPLC-UHFFFAOYSA-N -1 3 399.401 3.283 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCc2cc(F)c(F)cc21 ZINC000737832758 598654019 /nfs/dbraw/zinc/65/40/19/598654019.db2.gz LKUBZTWCSJIPLC-UHFFFAOYSA-N -1 3 399.401 3.283 20 0 GGADHM C[C@@H](c1ccccn1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736204906 598655843 /nfs/dbraw/zinc/65/58/43/598655843.db2.gz SUZIDCDCBBMWTH-HNNXBMFYSA-N -1 3 380.452 3.030 20 0 GGADHM C[C@@H](c1ccccn1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736204906 598655845 /nfs/dbraw/zinc/65/58/45/598655845.db2.gz SUZIDCDCBBMWTH-HNNXBMFYSA-N -1 3 380.452 3.030 20 0 GGADHM O=C(NC[C@@H]1CC=CCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738046276 598655911 /nfs/dbraw/zinc/65/59/11/598655911.db2.gz UOPDKOVKZDGXEM-CQSZACIVSA-N -1 3 376.420 3.140 20 0 GGADHM O=C(NC[C@@H]1CC=CCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738046276 598655912 /nfs/dbraw/zinc/65/59/12/598655912.db2.gz UOPDKOVKZDGXEM-CQSZACIVSA-N -1 3 376.420 3.140 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736264573 598656091 /nfs/dbraw/zinc/65/60/91/598656091.db2.gz GBODHFPKAHJFQS-CQSZACIVSA-N -1 3 378.436 3.316 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736264573 598656093 /nfs/dbraw/zinc/65/60/93/598656093.db2.gz GBODHFPKAHJFQS-CQSZACIVSA-N -1 3 378.436 3.316 20 0 GGADHM COCCCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736980237 598656977 /nfs/dbraw/zinc/65/69/77/598656977.db2.gz YFSZYAJMOQAADP-UHFFFAOYSA-N -1 3 381.436 3.206 20 0 GGADHM COCCCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736980237 598656979 /nfs/dbraw/zinc/65/69/79/598656979.db2.gz YFSZYAJMOQAADP-UHFFFAOYSA-N -1 3 381.436 3.206 20 0 GGADHM CC(C)n1cc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cn1 ZINC000735960415 598657514 /nfs/dbraw/zinc/65/75/14/598657514.db2.gz IEYYBODTOCCCOJ-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM CC(C)n1cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cn1 ZINC000735960415 598657516 /nfs/dbraw/zinc/65/75/16/598657516.db2.gz IEYYBODTOCCCOJ-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738150193 598658498 /nfs/dbraw/zinc/65/84/98/598658498.db2.gz BLEOATNAOGGHCH-GHMZBOCLSA-N -1 3 375.219 3.311 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738150193 598658500 /nfs/dbraw/zinc/65/85/00/598658500.db2.gz BLEOATNAOGGHCH-GHMZBOCLSA-N -1 3 375.219 3.311 20 0 GGADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737977719 598658989 /nfs/dbraw/zinc/65/89/89/598658989.db2.gz IFYWCMVLDOFUNQ-UHFFFAOYSA-N -1 3 397.851 3.220 20 0 GGADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737977719 598658990 /nfs/dbraw/zinc/65/89/90/598658990.db2.gz IFYWCMVLDOFUNQ-UHFFFAOYSA-N -1 3 397.851 3.220 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000736184942 598659688 /nfs/dbraw/zinc/65/96/88/598659688.db2.gz PXSMWPXNYBGHET-CYBMUJFWSA-N -1 3 399.882 3.425 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000736184942 598659689 /nfs/dbraw/zinc/65/96/89/598659689.db2.gz PXSMWPXNYBGHET-CYBMUJFWSA-N -1 3 399.882 3.425 20 0 GGADHM CC(C)(Cc1ccccc1Cl)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735670915 598659827 /nfs/dbraw/zinc/65/98/27/598659827.db2.gz HERWDHRFUNAYES-UHFFFAOYSA-N -1 3 385.855 3.036 20 0 GGADHM CC(C)(Cc1ccccc1Cl)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735670915 598659829 /nfs/dbraw/zinc/65/98/29/598659829.db2.gz HERWDHRFUNAYES-UHFFFAOYSA-N -1 3 385.855 3.036 20 0 GGADHM CC(C)(C)n1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000735662154 598664475 /nfs/dbraw/zinc/66/44/75/598664475.db2.gz RIQILGUJWCQIIV-UHFFFAOYSA-N -1 3 383.456 3.006 20 0 GGADHM CC(C)(C)n1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735662154 598664477 /nfs/dbraw/zinc/66/44/77/598664477.db2.gz RIQILGUJWCQIIV-UHFFFAOYSA-N -1 3 383.456 3.006 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1Cc2ccccc2C1 ZINC000738270049 598665661 /nfs/dbraw/zinc/66/56/61/598665661.db2.gz OHCFUIOWZNMKJY-UHFFFAOYSA-N -1 3 384.399 3.210 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1Cc2ccccc2C1 ZINC000738270049 598665663 /nfs/dbraw/zinc/66/56/63/598665663.db2.gz OHCFUIOWZNMKJY-UHFFFAOYSA-N -1 3 384.399 3.210 20 0 GGADHM CCc1nc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000736704638 598665919 /nfs/dbraw/zinc/66/59/19/598665919.db2.gz ACGRKOVBXDVICD-UHFFFAOYSA-N -1 3 380.433 3.301 20 0 GGADHM CCc1nc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000736704638 598665920 /nfs/dbraw/zinc/66/59/20/598665920.db2.gz ACGRKOVBXDVICD-UHFFFAOYSA-N -1 3 380.433 3.301 20 0 GGADHM CCn1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000736722234 598665937 /nfs/dbraw/zinc/66/59/37/598665937.db2.gz JCCIELOJQFDDEO-UHFFFAOYSA-N -1 3 375.392 3.128 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CC1 ZINC000738274713 598669614 /nfs/dbraw/zinc/66/96/14/598669614.db2.gz WXQXHAMQVOYOTQ-HXUWFJFHSA-N -1 3 389.459 3.460 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CC1 ZINC000738274713 598669616 /nfs/dbraw/zinc/66/96/16/598669616.db2.gz WXQXHAMQVOYOTQ-HXUWFJFHSA-N -1 3 389.459 3.460 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1NC(=O)C(C)(C)C ZINC000737361715 598669765 /nfs/dbraw/zinc/66/97/65/598669765.db2.gz YCXVASRJEMUHMX-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)C(C)(C)C ZINC000737361715 598669767 /nfs/dbraw/zinc/66/97/67/598669767.db2.gz YCXVASRJEMUHMX-UHFFFAOYSA-N -1 3 378.436 3.412 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC[C@H](n2ccnc2)C1 ZINC000738278752 598670790 /nfs/dbraw/zinc/67/07/90/598670790.db2.gz NJDJSZZAHDCDJN-INIZCTEOSA-N -1 3 399.458 3.208 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC[C@H](n2ccnc2)C1 ZINC000738278752 598670792 /nfs/dbraw/zinc/67/07/92/598670792.db2.gz NJDJSZZAHDCDJN-INIZCTEOSA-N -1 3 399.458 3.208 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000736055537 598671882 /nfs/dbraw/zinc/67/18/82/598671882.db2.gz GMIKDDFEIDNVGV-VIFPVBQESA-N -1 3 381.383 3.308 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000736055537 598671884 /nfs/dbraw/zinc/67/18/84/598671884.db2.gz GMIKDDFEIDNVGV-VIFPVBQESA-N -1 3 381.383 3.308 20 0 GGADHM Fc1ccc(CN2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c(Cl)c1 ZINC000737646875 598676887 /nfs/dbraw/zinc/67/68/87/598676887.db2.gz AOURWFRSNLTLOR-HNNXBMFYSA-N -1 3 387.850 3.131 20 0 GGADHM Fc1ccc(CN2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c(Cl)c1 ZINC000737646877 598677250 /nfs/dbraw/zinc/67/72/50/598677250.db2.gz AOURWFRSNLTLOR-OAHLLOKOSA-N -1 3 387.850 3.131 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000737240310 598678654 /nfs/dbraw/zinc/67/86/54/598678654.db2.gz JNRUKCFEWYWITL-CYBMUJFWSA-N -1 3 379.251 3.331 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000737240310 598678656 /nfs/dbraw/zinc/67/86/56/598678656.db2.gz JNRUKCFEWYWITL-CYBMUJFWSA-N -1 3 379.251 3.331 20 0 GGADHM CCCN(Cc1nccn1CC(F)(F)F)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736480156 598680139 /nfs/dbraw/zinc/68/01/39/598680139.db2.gz LHFBAQVQWWGCNS-UHFFFAOYSA-N -1 3 379.390 3.038 20 0 GGADHM C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736199765 598691250 /nfs/dbraw/zinc/69/12/50/598691250.db2.gz AFPACVDXFGEFQL-JTQLQIEISA-N -1 3 395.847 3.041 20 0 GGADHM CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735798986 598691340 /nfs/dbraw/zinc/69/13/40/598691340.db2.gz IIYSVPZPPJFXET-CQSZACIVSA-N -1 3 395.485 3.133 20 0 GGADHM CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735798986 598691342 /nfs/dbraw/zinc/69/13/42/598691342.db2.gz IIYSVPZPPJFXET-CQSZACIVSA-N -1 3 395.485 3.133 20 0 GGADHM CCc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nnn[n-]3)c[nH]c21 ZINC000736695836 598695909 /nfs/dbraw/zinc/69/59/09/598695909.db2.gz PWPWWXGVQPJLCT-KHPPLWFESA-N -1 3 386.459 3.283 20 0 GGADHM CCc1cccc2c(CCNC(=O)C=Cc3ccccc3-c3nn[n-]n3)c[nH]c21 ZINC000736695836 598695911 /nfs/dbraw/zinc/69/59/11/598695911.db2.gz PWPWWXGVQPJLCT-KHPPLWFESA-N -1 3 386.459 3.283 20 0 GGADHM COc1ccc(NC(=O)CCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737102796 598696587 /nfs/dbraw/zinc/69/65/87/598696587.db2.gz PBIBVWSMBGZQGO-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM COc1ccc(NC(=O)CCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737102796 598696589 /nfs/dbraw/zinc/69/65/89/598696589.db2.gz PBIBVWSMBGZQGO-UHFFFAOYSA-N -1 3 387.440 3.276 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cc2)n1 ZINC000737256711 598701724 /nfs/dbraw/zinc/70/17/24/598701724.db2.gz PJEFXHSYDHFXBW-UHFFFAOYSA-N -1 3 392.394 3.165 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cc2)n1 ZINC000737256711 598701726 /nfs/dbraw/zinc/70/17/26/598701726.db2.gz PJEFXHSYDHFXBW-UHFFFAOYSA-N -1 3 392.394 3.165 20 0 GGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737319801 598701863 /nfs/dbraw/zinc/70/18/63/598701863.db2.gz KOAYDVQFWHLIEA-UHFFFAOYSA-N -1 3 382.395 3.329 20 0 GGADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737319801 598701865 /nfs/dbraw/zinc/70/18/65/598701865.db2.gz KOAYDVQFWHLIEA-UHFFFAOYSA-N -1 3 382.395 3.329 20 0 GGADHM CC(C)(C)c1ccc(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735652188 598702255 /nfs/dbraw/zinc/70/22/55/598702255.db2.gz DNUOZVRCOGVMCW-UHFFFAOYSA-N -1 3 384.411 3.426 20 0 GGADHM CC(C)(C)c1ccc(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735652188 598702256 /nfs/dbraw/zinc/70/22/56/598702256.db2.gz DNUOZVRCOGVMCW-UHFFFAOYSA-N -1 3 384.411 3.426 20 0 GGADHM O=C(CSCc1ccc(F)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737936586 598702359 /nfs/dbraw/zinc/70/23/59/598702359.db2.gz SZRBIJFCSOVUMO-UHFFFAOYSA-N -1 3 376.388 3.122 20 0 GGADHM O=C(CSCc1ccc(F)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737936586 598702361 /nfs/dbraw/zinc/70/23/61/598702361.db2.gz SZRBIJFCSOVUMO-UHFFFAOYSA-N -1 3 376.388 3.122 20 0 GGADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737559881 598702366 /nfs/dbraw/zinc/70/23/66/598702366.db2.gz BTSFDHQMLPAJAG-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737559881 598702368 /nfs/dbraw/zinc/70/23/68/598702368.db2.gz BTSFDHQMLPAJAG-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737966986 598703590 /nfs/dbraw/zinc/70/35/90/598703590.db2.gz PDDUEPSRYKMORY-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737966986 598703591 /nfs/dbraw/zinc/70/35/91/598703591.db2.gz PDDUEPSRYKMORY-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737795900 598703647 /nfs/dbraw/zinc/70/36/47/598703647.db2.gz CKNOAXOYAMJWKG-MDZDMXLPSA-N -1 3 375.363 3.311 20 0 GGADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737795900 598703648 /nfs/dbraw/zinc/70/36/48/598703648.db2.gz CKNOAXOYAMJWKG-MDZDMXLPSA-N -1 3 375.363 3.311 20 0 GGADHM CCc1noc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)n1 ZINC000736713432 598703963 /nfs/dbraw/zinc/70/39/63/598703963.db2.gz OXTCYFWVGSSWDF-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM CCc1noc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)n1 ZINC000736713432 598703964 /nfs/dbraw/zinc/70/39/64/598703964.db2.gz OXTCYFWVGSSWDF-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736187856 598706198 /nfs/dbraw/zinc/70/61/98/598706198.db2.gz JTJYWGDUDVPVDZ-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736187856 598706199 /nfs/dbraw/zinc/70/61/99/598706199.db2.gz JTJYWGDUDVPVDZ-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737916110 598706687 /nfs/dbraw/zinc/70/66/87/598706687.db2.gz KFOXSTNMPAKBLI-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(COc1cc(Cl)ccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737916110 598706689 /nfs/dbraw/zinc/70/66/89/598706689.db2.gz KFOXSTNMPAKBLI-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736177774 598707044 /nfs/dbraw/zinc/70/70/44/598707044.db2.gz UWKOIJZMZYFQQX-GFCCVEGCSA-N -1 3 382.395 3.005 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736177774 598707045 /nfs/dbraw/zinc/70/70/45/598707045.db2.gz UWKOIJZMZYFQQX-GFCCVEGCSA-N -1 3 382.395 3.005 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736177775 598707297 /nfs/dbraw/zinc/70/72/97/598707297.db2.gz UWKOIJZMZYFQQX-LBPRGKRZSA-N -1 3 382.395 3.005 20 0 GGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736177775 598707299 /nfs/dbraw/zinc/70/72/99/598707299.db2.gz UWKOIJZMZYFQQX-LBPRGKRZSA-N -1 3 382.395 3.005 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc(Cc2ccccc2)n1 ZINC000738234380 598708349 /nfs/dbraw/zinc/70/83/49/598708349.db2.gz DZDZBJNLPRFBAS-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc(Cc2ccccc2)n1 ZINC000738234380 598708350 /nfs/dbraw/zinc/70/83/50/598708350.db2.gz DZDZBJNLPRFBAS-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(O[C@@H]1CCCCC1=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738216289 598712772 /nfs/dbraw/zinc/71/27/72/598712772.db2.gz XFPHQBPYTIZRHH-GOSISDBHSA-N -1 3 378.388 3.328 20 0 GGADHM O=C(O[C@@H]1CCCCC1=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738216289 598712774 /nfs/dbraw/zinc/71/27/74/598712774.db2.gz XFPHQBPYTIZRHH-GOSISDBHSA-N -1 3 378.388 3.328 20 0 GGADHM O=c1[nH]c2ccccc2cc1CSCCOc1ccccc1-c1nnn[n-]1 ZINC000738371999 598713348 /nfs/dbraw/zinc/71/33/48/598713348.db2.gz MIYYPIOCHXLLNZ-UHFFFAOYSA-N -1 3 379.445 3.433 20 0 GGADHM O=c1[nH]c2ccccc2cc1CSCCOc1ccccc1-c1nn[n-]n1 ZINC000738371999 598713350 /nfs/dbraw/zinc/71/33/50/598713350.db2.gz MIYYPIOCHXLLNZ-UHFFFAOYSA-N -1 3 379.445 3.433 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC(=O)c1ccc(Cl)s1 ZINC000737946885 598714079 /nfs/dbraw/zinc/71/40/79/598714079.db2.gz IHWXXBMHYFYTIK-UHFFFAOYSA-N -1 3 394.865 3.100 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC(=O)c1ccc(Cl)s1 ZINC000737946885 598714080 /nfs/dbraw/zinc/71/40/80/598714080.db2.gz IHWXXBMHYFYTIK-UHFFFAOYSA-N -1 3 394.865 3.100 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCOc1ccccc1Cl ZINC000737949226 598714558 /nfs/dbraw/zinc/71/45/58/598714558.db2.gz YAHLCMQSFLYJRL-UHFFFAOYSA-N -1 3 390.852 3.234 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCOc1ccccc1Cl ZINC000737949226 598714559 /nfs/dbraw/zinc/71/45/59/598714559.db2.gz YAHLCMQSFLYJRL-UHFFFAOYSA-N -1 3 390.852 3.234 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cccc(OC(F)F)c1 ZINC000737948319 598714722 /nfs/dbraw/zinc/71/47/22/598714722.db2.gz UCVSGIXHBKNZCU-UHFFFAOYSA-N -1 3 392.387 3.304 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cccc(OC(F)F)c1 ZINC000737948319 598714724 /nfs/dbraw/zinc/71/47/24/598714724.db2.gz UCVSGIXHBKNZCU-UHFFFAOYSA-N -1 3 392.387 3.304 20 0 GGADHM CCCc1nc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736495933 598714971 /nfs/dbraw/zinc/71/49/71/598714971.db2.gz WFOLAXUMNYETEK-UHFFFAOYSA-N -1 3 375.479 3.111 20 0 GGADHM CCCc1nc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736495933 598714973 /nfs/dbraw/zinc/71/49/73/598714973.db2.gz WFOLAXUMNYETEK-UHFFFAOYSA-N -1 3 375.479 3.111 20 0 GGADHM Cc1ccc(C(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737309243 598715629 /nfs/dbraw/zinc/71/56/29/598715629.db2.gz RXBUYGJEWKIFCT-UHFFFAOYSA-N -1 3 382.445 3.002 20 0 GGADHM Cc1ccc(C(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737309243 598715631 /nfs/dbraw/zinc/71/56/31/598715631.db2.gz RXBUYGJEWKIFCT-UHFFFAOYSA-N -1 3 382.445 3.002 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735931967 598716392 /nfs/dbraw/zinc/71/63/92/598716392.db2.gz HNHIHOSYVHTPMU-UHFFFAOYSA-N -1 3 398.442 3.007 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735931967 598716394 /nfs/dbraw/zinc/71/63/94/598716394.db2.gz HNHIHOSYVHTPMU-UHFFFAOYSA-N -1 3 398.442 3.007 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(Cl)nc(NC)c1 ZINC000736480199 598718000 /nfs/dbraw/zinc/71/80/00/598718000.db2.gz LRLBNFFZKSFDFC-UHFFFAOYSA-N -1 3 385.859 3.009 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(Cl)nc(NC)c1 ZINC000736480199 598718002 /nfs/dbraw/zinc/71/80/02/598718002.db2.gz LRLBNFFZKSFDFC-UHFFFAOYSA-N -1 3 385.859 3.009 20 0 GGADHM Cc1sc2nc([C@@H](C)Sc3ccc(-c4nnn[n-]4)cn3)nc(N)c2c1C ZINC000737564889 598718818 /nfs/dbraw/zinc/71/88/18/598718818.db2.gz UDUZCKKGXXWVPM-SECBINFHSA-N -1 3 384.494 3.319 20 0 GGADHM Cc1sc2nc([C@@H](C)Sc3ccc(-c4nn[n-]n4)cn3)nc(N)c2c1C ZINC000737564889 598718820 /nfs/dbraw/zinc/71/88/20/598718820.db2.gz UDUZCKKGXXWVPM-SECBINFHSA-N -1 3 384.494 3.319 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cccc(F)c1F ZINC000737840638 598726238 /nfs/dbraw/zinc/72/62/38/598726238.db2.gz BFFBIXWLDHFZBQ-UHFFFAOYSA-N -1 3 388.374 3.437 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cccc(F)c1F ZINC000737840638 598726240 /nfs/dbraw/zinc/72/62/40/598726240.db2.gz BFFBIXWLDHFZBQ-UHFFFAOYSA-N -1 3 388.374 3.437 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cccnc1Cl ZINC000737841511 598726290 /nfs/dbraw/zinc/72/62/90/598726290.db2.gz KAAHTAMPDDZNOH-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cccnc1Cl ZINC000737841511 598726292 /nfs/dbraw/zinc/72/62/92/598726292.db2.gz KAAHTAMPDDZNOH-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)nc1 ZINC000737841576 598726925 /nfs/dbraw/zinc/72/69/25/598726925.db2.gz NLLUQCIYGUSJRA-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)nc1 ZINC000737841576 598726927 /nfs/dbraw/zinc/72/69/27/598726927.db2.gz NLLUQCIYGUSJRA-UHFFFAOYSA-N -1 3 387.827 3.208 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000737024519 598735343 /nfs/dbraw/zinc/73/53/43/598735343.db2.gz JACJKUZPJIIJOQ-UHFFFAOYSA-N -1 3 397.822 3.467 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000737024519 598735345 /nfs/dbraw/zinc/73/53/45/598735345.db2.gz JACJKUZPJIIJOQ-UHFFFAOYSA-N -1 3 397.822 3.467 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000736635011 598736211 /nfs/dbraw/zinc/73/62/11/598736211.db2.gz QBTZKLALVOKXEE-UHFFFAOYSA-N -1 3 382.405 3.234 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000736634582 598736370 /nfs/dbraw/zinc/73/63/70/598736370.db2.gz MGRYVRZQKZZTFJ-UHFFFAOYSA-N -1 3 397.197 3.359 20 0 GGADHM CC[C@H](CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC000736331321 598737411 /nfs/dbraw/zinc/73/74/11/598737411.db2.gz JBXLMDZSAKKTJB-QGZVFWFLSA-N -1 3 390.491 3.099 20 0 GGADHM CC[C@H](CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000736331321 598737412 /nfs/dbraw/zinc/73/74/12/598737412.db2.gz JBXLMDZSAKKTJB-QGZVFWFLSA-N -1 3 390.491 3.099 20 0 GGADHM CN(C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1)C(=O)OC(C)(C)C ZINC000736795598 598745917 /nfs/dbraw/zinc/74/59/17/598745917.db2.gz WIMDYABAOGGKNN-ZDUSSCGKSA-N -1 3 390.463 3.089 20 0 GGADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1(C)C ZINC000735680309 598746422 /nfs/dbraw/zinc/74/64/22/598746422.db2.gz TWELTPMTHPPJHR-RTBURBONSA-N -1 3 395.507 3.475 20 0 GGADHM O=C(C=Cc1cccs1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737806057 598747290 /nfs/dbraw/zinc/74/72/90/598747290.db2.gz LEUAGTNSCWMFDW-BQYQJAHWSA-N -1 3 381.461 3.011 20 0 GGADHM O=C(/C=C/C1CCOCC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737796189 598754046 /nfs/dbraw/zinc/75/40/46/598754046.db2.gz MWVAHBROXQVTAH-ZHACJKMWSA-N -1 3 389.459 3.383 20 0 GGADHM O=C(/C=C/C1CCOCC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737796189 598754048 /nfs/dbraw/zinc/75/40/48/598754048.db2.gz MWVAHBROXQVTAH-ZHACJKMWSA-N -1 3 389.459 3.383 20 0 GGADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCS1 ZINC000736290886 598754678 /nfs/dbraw/zinc/75/46/78/598754678.db2.gz KIIKRDOQZJEEIZ-AWEZNQCLSA-N -1 3 395.488 3.023 20 0 GGADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCS1 ZINC000736290886 598754679 /nfs/dbraw/zinc/75/46/79/598754679.db2.gz KIIKRDOQZJEEIZ-AWEZNQCLSA-N -1 3 395.488 3.023 20 0 GGADHM O=C(COC(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416522 607366196 /nfs/dbraw/zinc/36/61/96/607366196.db2.gz CQXCUKVASZFWFW-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM O=C(COC(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416522 607366198 /nfs/dbraw/zinc/36/61/98/607366198.db2.gz CQXCUKVASZFWFW-UHFFFAOYSA-N -1 3 391.412 3.030 20 0 GGADHM CC(=O)OCCCCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000735498337 598761118 /nfs/dbraw/zinc/76/11/18/598761118.db2.gz ZBCHKRLTJAZZAL-UHFFFAOYSA-N -1 3 375.376 3.024 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000736179384 598761397 /nfs/dbraw/zinc/76/13/97/598761397.db2.gz DHNQEVIHOIHGAR-MRXNPFEDSA-N -1 3 391.475 3.115 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000736179384 598761399 /nfs/dbraw/zinc/76/13/99/598761399.db2.gz DHNQEVIHOIHGAR-MRXNPFEDSA-N -1 3 391.475 3.115 20 0 GGADHM COc1cc(-c2nc(CSc3ccc(-c4nnn[n-]4)cn3)cs2)ccc1O ZINC000737024974 598762030 /nfs/dbraw/zinc/76/20/30/598762030.db2.gz JOMUKKAYDHQYDT-UHFFFAOYSA-N -1 3 398.473 3.392 20 0 GGADHM COc1cc(-c2nc(CSc3ccc(-c4nn[n-]n4)cn3)cs2)ccc1O ZINC000737024974 598762031 /nfs/dbraw/zinc/76/20/31/598762031.db2.gz JOMUKKAYDHQYDT-UHFFFAOYSA-N -1 3 398.473 3.392 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736187937 598762640 /nfs/dbraw/zinc/76/26/40/598762640.db2.gz KSPIVWZXMZXQPX-JTQLQIEISA-N -1 3 389.209 3.002 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736187937 598762641 /nfs/dbraw/zinc/76/26/41/598762641.db2.gz KSPIVWZXMZXQPX-JTQLQIEISA-N -1 3 389.209 3.002 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000737424111 598764862 /nfs/dbraw/zinc/76/48/62/598764862.db2.gz VKWYCAMYXIETCP-LIRRHRJNSA-N -1 3 377.448 3.210 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000737424111 598764865 /nfs/dbraw/zinc/76/48/65/598764865.db2.gz VKWYCAMYXIETCP-LIRRHRJNSA-N -1 3 377.448 3.210 20 0 GGADHM Clc1ccccc1[C@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)CCO1 ZINC000737585067 598765460 /nfs/dbraw/zinc/76/54/60/598765460.db2.gz XWRNYGJVNNZNIC-GOSISDBHSA-N -1 3 394.866 3.346 20 0 GGADHM Clc1ccccc1[C@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)CCO1 ZINC000737585067 598765461 /nfs/dbraw/zinc/76/54/61/598765461.db2.gz XWRNYGJVNNZNIC-GOSISDBHSA-N -1 3 394.866 3.346 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000736636521 598766047 /nfs/dbraw/zinc/76/60/47/598766047.db2.gz LMBQOAFIVYSSCJ-ZDUSSCGKSA-N -1 3 379.420 3.113 20 0 GGADHM CC1(C)C[C@@H]1CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736210787 598769091 /nfs/dbraw/zinc/76/90/91/598769091.db2.gz IOCFGTOWEOGXFV-MRXNPFEDSA-N -1 3 377.448 3.222 20 0 GGADHM CC1(C)C[C@@H]1CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736210787 598769092 /nfs/dbraw/zinc/76/90/92/598769092.db2.gz IOCFGTOWEOGXFV-MRXNPFEDSA-N -1 3 377.448 3.222 20 0 GGADHM CN(CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000736801531 598770268 /nfs/dbraw/zinc/77/02/68/598770268.db2.gz XUYPCXPVOCSGDZ-UHFFFAOYSA-N -1 3 381.390 3.241 20 0 GGADHM CN(CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000736801531 598770269 /nfs/dbraw/zinc/77/02/69/598770269.db2.gz XUYPCXPVOCSGDZ-UHFFFAOYSA-N -1 3 381.390 3.241 20 0 GGADHM Cc1ccccc1[C@@H](O)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737420116 598773660 /nfs/dbraw/zinc/77/36/60/598773660.db2.gz IJDCVQQZUUSFGO-SFHVURJKSA-N -1 3 399.458 3.430 20 0 GGADHM Cc1ccccc1[C@@H](O)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737420116 598773661 /nfs/dbraw/zinc/77/36/61/598773661.db2.gz IJDCVQQZUUSFGO-SFHVURJKSA-N -1 3 399.458 3.430 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)OCCCOc3ccc(-c4nn[n-]n4)cc3)c21 ZINC000737408444 598779754 /nfs/dbraw/zinc/77/97/54/598779754.db2.gz MLZHTPYFTPRXCI-UHFFFAOYSA-N -1 3 391.431 3.211 20 0 GGADHM Cc1ccccc1[C@H](O)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737419596 598779951 /nfs/dbraw/zinc/77/99/51/598779951.db2.gz DWIPNVKGKGMFBW-OAQYLSRUSA-N -1 3 399.454 3.306 20 0 GGADHM Cc1ccccc1[C@H](O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737419596 598779953 /nfs/dbraw/zinc/77/99/53/598779953.db2.gz DWIPNVKGKGMFBW-OAQYLSRUSA-N -1 3 399.454 3.306 20 0 GGADHM CCC(=CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736303513 598780267 /nfs/dbraw/zinc/78/02/67/598780267.db2.gz IGNNROAMTWCMAA-RHIYTYFCSA-N -1 3 391.431 3.231 20 0 GGADHM CCC(=CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736303513 598780269 /nfs/dbraw/zinc/78/02/69/598780269.db2.gz IGNNROAMTWCMAA-RHIYTYFCSA-N -1 3 391.431 3.231 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)[C@H]1C ZINC000736257898 598781904 /nfs/dbraw/zinc/78/19/04/598781904.db2.gz DNTMLFIREMYFDO-VCBZYWHSSA-N -1 3 398.511 3.244 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000736111603 598783373 /nfs/dbraw/zinc/78/33/73/598783373.db2.gz MRAMLACMUNGORR-HNNXBMFYSA-N -1 3 396.499 3.325 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000736111603 598783374 /nfs/dbraw/zinc/78/33/74/598783374.db2.gz MRAMLACMUNGORR-HNNXBMFYSA-N -1 3 396.499 3.325 20 0 GGADHM C[C@@H]1CCC[C@H](CNC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736252060 598783911 /nfs/dbraw/zinc/78/39/11/598783911.db2.gz PFLMHXHTADERDR-CVEARBPZSA-N -1 3 398.511 3.246 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736470519 598786962 /nfs/dbraw/zinc/78/69/62/598786962.db2.gz JLVMALGHVQSTRG-UHFFFAOYSA-N -1 3 393.447 3.096 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736470519 598786963 /nfs/dbraw/zinc/78/69/63/598786963.db2.gz JLVMALGHVQSTRG-UHFFFAOYSA-N -1 3 393.447 3.096 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000735830048 598789741 /nfs/dbraw/zinc/78/97/41/598789741.db2.gz AUAULMWFVJRRBH-QFBILLFUSA-N -1 3 385.512 3.447 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000735830048 598789742 /nfs/dbraw/zinc/78/97/42/598789742.db2.gz AUAULMWFVJRRBH-QFBILLFUSA-N -1 3 385.512 3.447 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC/C=C\c1ccccc1 ZINC000735733965 598791065 /nfs/dbraw/zinc/79/10/65/598791065.db2.gz DLDHDTRAOYMJTM-POGDKVGISA-N -1 3 377.448 3.100 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC/C=C\c1ccccc1 ZINC000735733965 598791066 /nfs/dbraw/zinc/79/10/66/598791066.db2.gz DLDHDTRAOYMJTM-POGDKVGISA-N -1 3 377.448 3.100 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736425617 598794272 /nfs/dbraw/zinc/79/42/72/598794272.db2.gz VVZOEJQLSVLNOU-OLZOCXBDSA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736425617 598794274 /nfs/dbraw/zinc/79/42/74/598794274.db2.gz VVZOEJQLSVLNOU-OLZOCXBDSA-N -1 3 376.892 3.041 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737852586 598794465 /nfs/dbraw/zinc/79/44/65/598794465.db2.gz OOTUIORBZPEMAX-GOSISDBHSA-N -1 3 383.402 3.441 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737852586 598794466 /nfs/dbraw/zinc/79/44/66/598794466.db2.gz OOTUIORBZPEMAX-GOSISDBHSA-N -1 3 383.402 3.441 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736747670 598795287 /nfs/dbraw/zinc/79/52/87/598795287.db2.gz FXKHUXCWOYFHSC-ZDUSSCGKSA-N -1 3 392.891 3.356 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736747670 598795289 /nfs/dbraw/zinc/79/52/89/598795289.db2.gz FXKHUXCWOYFHSC-ZDUSSCGKSA-N -1 3 392.891 3.356 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735734586 598796474 /nfs/dbraw/zinc/79/64/74/598796474.db2.gz HBUUQZLXPXBDRY-GOSISDBHSA-N -1 3 385.493 3.026 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735734586 598796475 /nfs/dbraw/zinc/79/64/75/598796475.db2.gz HBUUQZLXPXBDRY-GOSISDBHSA-N -1 3 385.493 3.026 20 0 GGADHM COc1cccc(C[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737129857 598798989 /nfs/dbraw/zinc/79/89/89/598798989.db2.gz MKBQLIXVGJKQDL-CYBMUJFWSA-N -1 3 397.483 3.185 20 0 GGADHM COc1cccc(C[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737129857 598798990 /nfs/dbraw/zinc/79/89/90/598798990.db2.gz MKBQLIXVGJKQDL-CYBMUJFWSA-N -1 3 397.483 3.185 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738115989 598801443 /nfs/dbraw/zinc/80/14/43/598801443.db2.gz FHUCMCHXRDWWKH-SFHVURJKSA-N -1 3 380.427 3.346 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738115989 598801444 /nfs/dbraw/zinc/80/14/44/598801444.db2.gz FHUCMCHXRDWWKH-SFHVURJKSA-N -1 3 380.427 3.346 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738101698 598801482 /nfs/dbraw/zinc/80/14/82/598801482.db2.gz LBNZQHSUADYTBW-GOSISDBHSA-N -1 3 380.427 3.346 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738101698 598801484 /nfs/dbraw/zinc/80/14/84/598801484.db2.gz LBNZQHSUADYTBW-GOSISDBHSA-N -1 3 380.427 3.346 20 0 GGADHM CC(C)CCC[C@@H](C)NC(=O)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735798024 598801523 /nfs/dbraw/zinc/80/15/23/598801523.db2.gz UJCLDIVQAXVDHN-OAHLLOKOSA-N -1 3 381.484 3.061 20 0 GGADHM CC(C)CCC[C@@H](C)NC(=O)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735798024 598801524 /nfs/dbraw/zinc/80/15/24/598801524.db2.gz UJCLDIVQAXVDHN-OAHLLOKOSA-N -1 3 381.484 3.061 20 0 GGADHM CC(C)n1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)n1 ZINC000735961110 598803659 /nfs/dbraw/zinc/80/36/59/598803659.db2.gz MIDXCGIKEHFXSM-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM CC(C)n1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)n1 ZINC000735961110 598803660 /nfs/dbraw/zinc/80/36/60/598803660.db2.gz MIDXCGIKEHFXSM-UHFFFAOYSA-N -1 3 390.407 3.084 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000737056279 598804105 /nfs/dbraw/zinc/80/41/05/598804105.db2.gz BMDSMSLXOFRRSK-SECBINFHSA-N -1 3 391.790 3.074 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000737056279 598804107 /nfs/dbraw/zinc/80/41/07/598804107.db2.gz BMDSMSLXOFRRSK-SECBINFHSA-N -1 3 391.790 3.074 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736171130 598805792 /nfs/dbraw/zinc/80/57/92/598805792.db2.gz ZWOXULQPYDSPOM-ZDUSSCGKSA-N -1 3 379.420 3.062 20 0 GGADHM O=C(Cc1c(F)cccc1Cl)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737952807 598806802 /nfs/dbraw/zinc/80/68/02/598806802.db2.gz BQGPMNKZDZZMIE-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1F ZINC000738194653 598809111 /nfs/dbraw/zinc/80/91/11/598809111.db2.gz GOSWZMKCDBTPNU-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM c1cc(CN(Cc2cn3ccccc3c2-c2nnn[n-]2)Cc2ccccc2)n[nH]1 ZINC000738432422 598810762 /nfs/dbraw/zinc/81/07/62/598810762.db2.gz GWUKJQZKXWBKIL-UHFFFAOYSA-N -1 3 384.447 3.045 20 0 GGADHM c1cc(CN(Cc2cn3ccccc3c2-c2nn[n-]n2)Cc2ccccc2)n[nH]1 ZINC000738432422 598810763 /nfs/dbraw/zinc/81/07/63/598810763.db2.gz GWUKJQZKXWBKIL-UHFFFAOYSA-N -1 3 384.447 3.045 20 0 GGADHM O=C(NCCCOc1cccc2cccnc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738075872 598815429 /nfs/dbraw/zinc/81/54/29/598815429.db2.gz MRQQWKXKJHEDEY-UHFFFAOYSA-N -1 3 389.419 3.006 20 0 GGADHM O=C(NCCCOc1cccc2cccnc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738075872 598815431 /nfs/dbraw/zinc/81/54/31/598815431.db2.gz MRQQWKXKJHEDEY-UHFFFAOYSA-N -1 3 389.419 3.006 20 0 GGADHM C[C@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117170 598816793 /nfs/dbraw/zinc/81/67/93/598816793.db2.gz DTVXSVPRWMVITH-ZDUSSCGKSA-N -1 3 376.395 3.288 20 0 GGADHM C[C@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117170 598816794 /nfs/dbraw/zinc/81/67/94/598816794.db2.gz DTVXSVPRWMVITH-ZDUSSCGKSA-N -1 3 376.395 3.288 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000736818694 598817647 /nfs/dbraw/zinc/81/76/47/598817647.db2.gz VGKKIZOOGITTCO-UHFFFAOYSA-N -1 3 376.395 3.069 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000736818694 598817649 /nfs/dbraw/zinc/81/76/49/598817649.db2.gz VGKKIZOOGITTCO-UHFFFAOYSA-N -1 3 376.395 3.069 20 0 GGADHM CCN(C(=O)[C@H](C)n1cnc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503266 598818732 /nfs/dbraw/zinc/81/87/32/598818732.db2.gz UZJBHPZVLHPBIT-CABCVRRESA-N -1 3 389.463 3.387 20 0 GGADHM CCN(C(=O)[C@H](C)n1cnc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503266 598818734 /nfs/dbraw/zinc/81/87/34/598818734.db2.gz UZJBHPZVLHPBIT-CABCVRRESA-N -1 3 389.463 3.387 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1COc2ccccc21 ZINC000736627068 598821749 /nfs/dbraw/zinc/82/17/49/598821749.db2.gz JCTNAPSMOQOXIF-GFCCVEGCSA-N -1 3 386.795 3.000 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1COc2ccccc21 ZINC000736627068 598821750 /nfs/dbraw/zinc/82/17/50/598821750.db2.gz JCTNAPSMOQOXIF-GFCCVEGCSA-N -1 3 386.795 3.000 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000737062896 598822685 /nfs/dbraw/zinc/82/26/85/598822685.db2.gz SZMMDTCDBHAUQM-UHFFFAOYSA-N -1 3 378.436 3.118 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000737062896 598822686 /nfs/dbraw/zinc/82/26/86/598822686.db2.gz SZMMDTCDBHAUQM-UHFFFAOYSA-N -1 3 378.436 3.118 20 0 GGADHM O=C(NC[C@H]1CC1(Cl)Cl)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823170758 599292913 /nfs/dbraw/zinc/29/29/13/599292913.db2.gz HVNFTHWHARFJCM-ZCFIWIBFSA-N -1 3 395.172 3.201 20 0 GGADHM O=C(NC[C@H]1CC1(Cl)Cl)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823170758 599292915 /nfs/dbraw/zinc/29/29/15/599292915.db2.gz HVNFTHWHARFJCM-ZCFIWIBFSA-N -1 3 395.172 3.201 20 0 GGADHM CC(C)CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820076142 599293421 /nfs/dbraw/zinc/29/34/21/599293421.db2.gz CMABKWAZNMMNLL-UHFFFAOYSA-N -1 3 386.378 3.070 20 0 GGADHM CC(C)CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820076142 599293423 /nfs/dbraw/zinc/29/34/23/599293423.db2.gz CMABKWAZNMMNLL-UHFFFAOYSA-N -1 3 386.378 3.070 20 0 GGADHM Cc1c(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)oc2c1c(C)ccc2C ZINC000737327164 599293707 /nfs/dbraw/zinc/29/37/07/599293707.db2.gz WHDGNBCKBOSNHV-UHFFFAOYSA-N -1 3 395.448 3.093 20 0 GGADHM Cc1c(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)oc2c1c(C)ccc2C ZINC000737327164 599293709 /nfs/dbraw/zinc/29/37/09/599293709.db2.gz WHDGNBCKBOSNHV-UHFFFAOYSA-N -1 3 395.448 3.093 20 0 GGADHM CN(Cc1cccc(O)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821614818 599294339 /nfs/dbraw/zinc/29/43/39/599294339.db2.gz WALOKDFQKCHJLV-UHFFFAOYSA-N -1 3 392.341 3.255 20 0 GGADHM CN(Cc1cccc(O)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821614818 599294341 /nfs/dbraw/zinc/29/43/41/599294341.db2.gz WALOKDFQKCHJLV-UHFFFAOYSA-N -1 3 392.341 3.255 20 0 GGADHM CCc1nc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000821509321 599294548 /nfs/dbraw/zinc/29/45/48/599294548.db2.gz FSOLEVJCHOXHDQ-UHFFFAOYSA-N -1 3 397.386 3.226 20 0 GGADHM CCc1nc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000821509321 599294549 /nfs/dbraw/zinc/29/45/49/599294549.db2.gz FSOLEVJCHOXHDQ-UHFFFAOYSA-N -1 3 397.386 3.226 20 0 GGADHM CC(C)Cn1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cn1 ZINC000820108899 599296331 /nfs/dbraw/zinc/29/63/31/599296331.db2.gz TWXKTDDJDKDNLT-UHFFFAOYSA-N -1 3 382.472 3.162 20 0 GGADHM CC(C)Cn1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cn1 ZINC000820108899 599296334 /nfs/dbraw/zinc/29/63/34/599296334.db2.gz TWXKTDDJDKDNLT-UHFFFAOYSA-N -1 3 382.472 3.162 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1CCCOCC1 ZINC000823356409 599298332 /nfs/dbraw/zinc/29/83/32/599298332.db2.gz LLICIWUCSVBUOW-UHFFFAOYSA-N -1 3 398.398 3.052 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1CCCOCC1 ZINC000823356409 599298334 /nfs/dbraw/zinc/29/83/34/599298334.db2.gz LLICIWUCSVBUOW-UHFFFAOYSA-N -1 3 398.398 3.052 20 0 GGADHM C[C@H]1SCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@@H]1C ZINC000736305120 599301009 /nfs/dbraw/zinc/30/10/09/599301009.db2.gz XBBAAYWGURGLJG-CHWSQXEVSA-N -1 3 399.476 3.005 20 0 GGADHM COc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000737055304 599305639 /nfs/dbraw/zinc/30/56/39/599305639.db2.gz CZVORDKIRVTDQZ-UHFFFAOYSA-N -1 3 392.444 3.275 20 0 GGADHM COc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000737055304 599305641 /nfs/dbraw/zinc/30/56/41/599305641.db2.gz CZVORDKIRVTDQZ-UHFFFAOYSA-N -1 3 392.444 3.275 20 0 GGADHM CCOc1ccccc1OCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736654904 599307295 /nfs/dbraw/zinc/30/72/95/599307295.db2.gz MWENWSDIAKIRQL-UHFFFAOYSA-N -1 3 381.436 3.087 20 0 GGADHM CCOc1ccccc1OCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736654904 599307298 /nfs/dbraw/zinc/30/72/98/599307298.db2.gz MWENWSDIAKIRQL-UHFFFAOYSA-N -1 3 381.436 3.087 20 0 GGADHM CN(C(=O)c1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000736749208 599308107 /nfs/dbraw/zinc/30/81/07/599308107.db2.gz NVPXXXRKWPOAKM-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM CN(C(=O)c1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000736749208 599308109 /nfs/dbraw/zinc/30/81/09/599308109.db2.gz NVPXXXRKWPOAKM-UHFFFAOYSA-N -1 3 376.189 3.045 20 0 GGADHM COc1cccc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000821854432 599308707 /nfs/dbraw/zinc/30/87/07/599308707.db2.gz JMYKWVSTYMMDNE-UHFFFAOYSA-N -1 3 392.419 3.327 20 0 GGADHM COc1cccc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000821854432 599308709 /nfs/dbraw/zinc/30/87/09/599308709.db2.gz JMYKWVSTYMMDNE-UHFFFAOYSA-N -1 3 392.419 3.327 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119317 599312866 /nfs/dbraw/zinc/31/28/66/599312866.db2.gz XMWMGNJCKFQZRZ-GFCCVEGCSA-N -1 3 376.445 3.481 20 0 GGADHM C[C@@H](NC(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119317 599312868 /nfs/dbraw/zinc/31/28/68/599312868.db2.gz XMWMGNJCKFQZRZ-GFCCVEGCSA-N -1 3 376.445 3.481 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1ccc(-n2cccn2)cc1 ZINC000821752978 607368153 /nfs/dbraw/zinc/36/81/53/607368153.db2.gz XJORYBIWLHIWHN-UHFFFAOYSA-N -1 3 378.461 3.494 20 0 GGADHM COc1cc(CNc2cccc(Cl)c2-c2nnn[n-]2)cc(OC)c1OC ZINC000821716677 599316195 /nfs/dbraw/zinc/31/61/95/599316195.db2.gz DWLSPTHPMOWXNV-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1cc(CNc2cccc(Cl)c2-c2nn[n-]n2)cc(OC)c1OC ZINC000821716677 599316198 /nfs/dbraw/zinc/31/61/98/599316198.db2.gz DWLSPTHPMOWXNV-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM Cc1ccc2nc(CS[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc(=O)n2c1 ZINC000737373073 599326389 /nfs/dbraw/zinc/32/63/89/599326389.db2.gz BSAGBVNIYUFZBH-ZDUSSCGKSA-N -1 3 378.461 3.177 20 0 GGADHM Cc1ccc2nc(CS[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc(=O)n2c1 ZINC000737373073 599326391 /nfs/dbraw/zinc/32/63/91/599326391.db2.gz BSAGBVNIYUFZBH-ZDUSSCGKSA-N -1 3 378.461 3.177 20 0 GGADHM COc1cccc(CNC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737130595 599329567 /nfs/dbraw/zinc/32/95/67/599329567.db2.gz HTUUIJRLCJRWLZ-UONOGXRCSA-N -1 3 397.504 3.374 20 0 GGADHM COc1cccc(CNC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737130595 599329569 /nfs/dbraw/zinc/32/95/69/599329569.db2.gz HTUUIJRLCJRWLZ-UONOGXRCSA-N -1 3 397.504 3.374 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000822505846 599330098 /nfs/dbraw/zinc/33/00/98/599330098.db2.gz XWBYGSSVDYUMOU-AUUYWEPGSA-N -1 3 386.463 3.084 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000822505846 599330101 /nfs/dbraw/zinc/33/01/01/599330101.db2.gz XWBYGSSVDYUMOU-AUUYWEPGSA-N -1 3 386.463 3.084 20 0 GGADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccccc1 ZINC000736189596 599330134 /nfs/dbraw/zinc/33/01/34/599330134.db2.gz QBCZPCOXKCOBGH-GJZGRUSLSA-N -1 3 381.505 3.408 20 0 GGADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccccc1 ZINC000736189596 599330136 /nfs/dbraw/zinc/33/01/36/599330136.db2.gz QBCZPCOXKCOBGH-GJZGRUSLSA-N -1 3 381.505 3.408 20 0 GGADHM Cc1ccc(Oc2ccc(NCCOc3cccc(-c4nnn[n-]4)c3)cc2)nn1 ZINC000737365148 599330186 /nfs/dbraw/zinc/33/01/86/599330186.db2.gz FHOSLKSJRSWWPG-UHFFFAOYSA-N -1 3 389.419 3.248 20 0 GGADHM Cc1ccc(Oc2ccc(NCCOc3cccc(-c4nn[n-]n4)c3)cc2)nn1 ZINC000737365148 599330189 /nfs/dbraw/zinc/33/01/89/599330189.db2.gz FHOSLKSJRSWWPG-UHFFFAOYSA-N -1 3 389.419 3.248 20 0 GGADHM COc1ccc(OC)c(NC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737108744 599331157 /nfs/dbraw/zinc/33/11/57/599331157.db2.gz BCDXDVLITPNLKI-LBPRGKRZSA-N -1 3 399.476 3.317 20 0 GGADHM COc1ccc(OC)c(NC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737108744 599331160 /nfs/dbraw/zinc/33/11/60/599331160.db2.gz BCDXDVLITPNLKI-LBPRGKRZSA-N -1 3 399.476 3.317 20 0 GGADHM COC(=O)c1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736947496 599331412 /nfs/dbraw/zinc/33/14/12/599331412.db2.gz MNMUPFKOIKWKNF-LBPRGKRZSA-N -1 3 397.460 3.086 20 0 GGADHM COC(=O)c1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736947496 599331415 /nfs/dbraw/zinc/33/14/15/599331415.db2.gz MNMUPFKOIKWKNF-LBPRGKRZSA-N -1 3 397.460 3.086 20 0 GGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000737356510 599332947 /nfs/dbraw/zinc/33/29/47/599332947.db2.gz HHZPRKNKTXZVGA-UHFFFAOYSA-N -1 3 394.332 3.384 20 0 GGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000737356510 599332950 /nfs/dbraw/zinc/33/29/50/599332950.db2.gz HHZPRKNKTXZVGA-UHFFFAOYSA-N -1 3 394.332 3.384 20 0 GGADHM O=C(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1cc(F)cc(F)c1 ZINC000737895138 599334381 /nfs/dbraw/zinc/33/43/81/599334381.db2.gz MOAXBBMAOPKGJG-UHFFFAOYSA-N -1 3 398.295 3.214 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1cc(F)cc(F)c1 ZINC000737895138 599334383 /nfs/dbraw/zinc/33/43/83/599334383.db2.gz MOAXBBMAOPKGJG-UHFFFAOYSA-N -1 3 398.295 3.214 20 0 GGADHM CN(C1CCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821592817 599340774 /nfs/dbraw/zinc/34/07/74/599340774.db2.gz WRXDNSHDGDTMTA-UHFFFAOYSA-N -1 3 383.905 3.254 20 0 GGADHM CC(C)(C)c1ccccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000819957994 599341044 /nfs/dbraw/zinc/34/10/44/599341044.db2.gz FYMOEOAWTMMNFQ-UHFFFAOYSA-N -1 3 376.413 3.071 20 0 GGADHM CC(C)(C)c1ccccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000819957994 599341046 /nfs/dbraw/zinc/34/10/46/599341046.db2.gz FYMOEOAWTMMNFQ-UHFFFAOYSA-N -1 3 376.413 3.071 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000736169316 599341533 /nfs/dbraw/zinc/34/15/33/599341533.db2.gz MSAYOJHCGBACKH-LBPRGKRZSA-N -1 3 392.444 3.396 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000820191926 599344550 /nfs/dbraw/zinc/34/45/50/599344550.db2.gz AUMLNBUZAFMFBD-UHFFFAOYSA-N -1 3 397.504 3.277 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000820191926 599344553 /nfs/dbraw/zinc/34/45/53/599344553.db2.gz AUMLNBUZAFMFBD-UHFFFAOYSA-N -1 3 397.504 3.277 20 0 GGADHM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820859991 599344598 /nfs/dbraw/zinc/34/45/98/599344598.db2.gz HSBZETRTPKINPS-FZMZJTMJSA-N -1 3 383.905 3.109 20 0 GGADHM CSc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000821983870 599345338 /nfs/dbraw/zinc/34/53/38/599345338.db2.gz KAYXDKKOVOFYOG-UHFFFAOYSA-N -1 3 395.897 3.067 20 0 GGADHM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299172 599348496 /nfs/dbraw/zinc/34/84/96/599348496.db2.gz AHMNZZMYWLXPKO-SFHVURJKSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299172 599348498 /nfs/dbraw/zinc/34/84/98/599348498.db2.gz AHMNZZMYWLXPKO-SFHVURJKSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299384 599348639 /nfs/dbraw/zinc/34/86/39/599348639.db2.gz HESUEDVYKMVCMR-SFHVURJKSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299384 599348642 /nfs/dbraw/zinc/34/86/42/599348642.db2.gz HESUEDVYKMVCMR-SFHVURJKSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233499 599349710 /nfs/dbraw/zinc/34/97/10/599349710.db2.gz QEBFGHQIGDHSOD-SFHVURJKSA-N -1 3 383.477 3.091 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233499 599349713 /nfs/dbraw/zinc/34/97/13/599349713.db2.gz QEBFGHQIGDHSOD-SFHVURJKSA-N -1 3 383.477 3.091 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233432 599350135 /nfs/dbraw/zinc/35/01/35/599350135.db2.gz OSDQUFTWRBGHBQ-SFHVURJKSA-N -1 3 383.477 3.091 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233432 599350137 /nfs/dbraw/zinc/35/01/37/599350137.db2.gz OSDQUFTWRBGHBQ-SFHVURJKSA-N -1 3 383.477 3.091 20 0 GGADHM CC(C)[C@H](CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824192547 607370928 /nfs/dbraw/zinc/37/09/28/607370928.db2.gz KODHOSXXPAQZST-SFHVURJKSA-N -1 3 378.432 3.423 20 0 GGADHM CC(C)[C@H](CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824192547 607370929 /nfs/dbraw/zinc/37/09/29/607370929.db2.gz KODHOSXXPAQZST-SFHVURJKSA-N -1 3 378.432 3.423 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(NC(=O)C(C)C)ccc1C ZINC000821731951 607371256 /nfs/dbraw/zinc/37/12/56/607371256.db2.gz JDVIVOLRZPOIAQ-UHFFFAOYSA-N -1 3 380.452 3.390 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(NC(=O)C(C)C)ccc1C ZINC000821731951 607371258 /nfs/dbraw/zinc/37/12/58/607371258.db2.gz JDVIVOLRZPOIAQ-UHFFFAOYSA-N -1 3 380.452 3.390 20 0 GGADHM O=C(Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1)c1ccco1 ZINC000738187536 599364511 /nfs/dbraw/zinc/36/45/11/599364511.db2.gz VRAXHMWKXVWBBT-UHFFFAOYSA-N -1 3 379.351 3.430 20 0 GGADHM O=C(Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1)c1ccco1 ZINC000738187536 599364514 /nfs/dbraw/zinc/36/45/14/599364514.db2.gz VRAXHMWKXVWBBT-UHFFFAOYSA-N -1 3 379.351 3.430 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000737895127 599366548 /nfs/dbraw/zinc/36/65/48/599366548.db2.gz MLQYHYFWCSGCRZ-UHFFFAOYSA-N -1 3 377.433 3.041 20 0 GGADHM Cc1cccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299916 599373465 /nfs/dbraw/zinc/37/34/65/599373465.db2.gz ZEDKPSZNAUQXAH-LJQANCHMSA-N -1 3 397.504 3.399 20 0 GGADHM Cc1cccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299916 599373469 /nfs/dbraw/zinc/37/34/69/599373469.db2.gz ZEDKPSZNAUQXAH-LJQANCHMSA-N -1 3 397.504 3.399 20 0 GGADHM O=C(N[C@@H]1CC=CCC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738020959 599381513 /nfs/dbraw/zinc/38/15/13/599381513.db2.gz OYHVSIHYCPDJNN-QGZVFWFLSA-N -1 3 375.432 3.284 20 0 GGADHM O=C(N[C@@H]1CC=CCC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738020959 599381516 /nfs/dbraw/zinc/38/15/16/599381516.db2.gz OYHVSIHYCPDJNN-QGZVFWFLSA-N -1 3 375.432 3.284 20 0 GGADHM O=C(N[C@@H]1CC=CCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738018678 599381776 /nfs/dbraw/zinc/38/17/76/599381776.db2.gz DOAWRNPBPCEAOR-QGZVFWFLSA-N -1 3 375.432 3.284 20 0 GGADHM O=C(N[C@@H]1CC=CCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738018678 599381779 /nfs/dbraw/zinc/38/17/79/599381779.db2.gz DOAWRNPBPCEAOR-QGZVFWFLSA-N -1 3 375.432 3.284 20 0 GGADHM CSCC[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737180712 599383179 /nfs/dbraw/zinc/38/31/79/599383179.db2.gz HWHNDBIBRSPJDG-AWEZNQCLSA-N -1 3 397.504 3.317 20 0 GGADHM CCC(CC)(CN[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887472 599384334 /nfs/dbraw/zinc/38/43/34/599384334.db2.gz DTMPFNQSIPBZEU-IBGZPJMESA-N -1 3 393.491 3.428 20 0 GGADHM CCC(CC)(CN[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887472 599384338 /nfs/dbraw/zinc/38/43/38/599384338.db2.gz DTMPFNQSIPBZEU-IBGZPJMESA-N -1 3 393.491 3.428 20 0 GGADHM CC(C)CNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820093519 599385901 /nfs/dbraw/zinc/38/59/01/599385901.db2.gz XZZRYOVEUHXRIP-ZDUSSCGKSA-N -1 3 398.442 3.371 20 0 GGADHM CC(C)CNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820093519 599385903 /nfs/dbraw/zinc/38/59/03/599385903.db2.gz XZZRYOVEUHXRIP-ZDUSSCGKSA-N -1 3 398.442 3.371 20 0 GGADHM COc1cc(C)c(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737040374 599397237 /nfs/dbraw/zinc/39/72/37/599397237.db2.gz OUSZDXFWSATCES-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM COc1cc(C)c(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737040374 599397241 /nfs/dbraw/zinc/39/72/41/599397241.db2.gz OUSZDXFWSATCES-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM CC(C)c1ccc(CCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192535 599398502 /nfs/dbraw/zinc/39/85/02/599398502.db2.gz RZAZZIBYKNXZLY-UHFFFAOYSA-N -1 3 382.443 3.171 20 0 GGADHM CC(C)c1ccc(CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192535 599398505 /nfs/dbraw/zinc/39/85/05/599398505.db2.gz RZAZZIBYKNXZLY-UHFFFAOYSA-N -1 3 382.443 3.171 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358639 599403962 /nfs/dbraw/zinc/40/39/62/599403962.db2.gz OIFUQFZYNDZQGL-MLGOLLRUSA-N -1 3 380.477 3.464 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358639 599403963 /nfs/dbraw/zinc/40/39/63/599403963.db2.gz OIFUQFZYNDZQGL-MLGOLLRUSA-N -1 3 380.477 3.464 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357563 599404020 /nfs/dbraw/zinc/40/40/20/599404020.db2.gz HQMIMALXOKVYAB-KSSFIOAISA-N -1 3 376.464 3.347 20 0 GGADHM C[C@H](NC(=O)NC[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357563 599404022 /nfs/dbraw/zinc/40/40/22/599404022.db2.gz HQMIMALXOKVYAB-KSSFIOAISA-N -1 3 376.464 3.347 20 0 GGADHM Cc1ccc(CSCCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822240140 599404318 /nfs/dbraw/zinc/40/43/18/599404318.db2.gz UHOYLZITXQMBFO-OAHLLOKOSA-N -1 3 396.520 3.469 20 0 GGADHM Cc1ccc(CSCCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822240140 599404321 /nfs/dbraw/zinc/40/43/21/599404321.db2.gz UHOYLZITXQMBFO-OAHLLOKOSA-N -1 3 396.520 3.469 20 0 GGADHM CC[C@@H](C)C[C@@H](C)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000820869019 599404425 /nfs/dbraw/zinc/40/44/25/599404425.db2.gz DUBMFUGSHWLMJX-ZIAGYGMSSA-N -1 3 376.530 3.224 20 0 GGADHM CC[C@@H](C)C[C@@H](C)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000820869019 599404428 /nfs/dbraw/zinc/40/44/28/599404428.db2.gz DUBMFUGSHWLMJX-ZIAGYGMSSA-N -1 3 376.530 3.224 20 0 GGADHM CC[C@H](C)C[C@H](C)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000820869008 599404518 /nfs/dbraw/zinc/40/45/18/599404518.db2.gz DUBMFUGSHWLMJX-KBPBESRZSA-N -1 3 376.530 3.224 20 0 GGADHM CC[C@H](C)C[C@H](C)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000820869008 599404520 /nfs/dbraw/zinc/40/45/20/599404520.db2.gz DUBMFUGSHWLMJX-KBPBESRZSA-N -1 3 376.530 3.224 20 0 GGADHM c1cnn(Cc2ccc(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)cc2)c1 ZINC000738433981 599405632 /nfs/dbraw/zinc/40/56/32/599405632.db2.gz XZHNNLOTQLDSNG-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM c1cnn(Cc2ccc(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)cc2)c1 ZINC000738433981 599405637 /nfs/dbraw/zinc/40/56/37/599405637.db2.gz XZHNNLOTQLDSNG-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM CN(CCCOc1ccc(F)cc1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736798145 599407373 /nfs/dbraw/zinc/40/73/73/599407373.db2.gz QYEVAYORLWLORN-UHFFFAOYSA-N -1 3 378.411 3.459 20 0 GGADHM CN(CCCOc1ccc(F)cc1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736798145 599407376 /nfs/dbraw/zinc/40/73/76/599407376.db2.gz QYEVAYORLWLORN-UHFFFAOYSA-N -1 3 378.411 3.459 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821824973 599409815 /nfs/dbraw/zinc/40/98/15/599409815.db2.gz RSKGIBVMXOJHDE-NSHDSACASA-N -1 3 386.843 3.089 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821824973 599409818 /nfs/dbraw/zinc/40/98/18/599409818.db2.gz RSKGIBVMXOJHDE-NSHDSACASA-N -1 3 386.843 3.089 20 0 GGADHM COc1ccc(CNCc2ccc(F)cc2Br)cc1-c1nnn[n-]1 ZINC000821818523 599412743 /nfs/dbraw/zinc/41/27/43/599412743.db2.gz VEUPWZBIKIRGFG-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM CC(C)Oc1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820173401 607375000 /nfs/dbraw/zinc/37/50/00/607375000.db2.gz DGVIIFSWGJGDBL-ZHACJKMWSA-N -1 3 385.449 3.067 20 0 GGADHM CC(C)Oc1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000820173401 607375002 /nfs/dbraw/zinc/37/50/02/607375002.db2.gz DGVIIFSWGJGDBL-ZHACJKMWSA-N -1 3 385.449 3.067 20 0 GGADHM Cc1ccc(N2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000737352621 599414618 /nfs/dbraw/zinc/41/46/18/599414618.db2.gz QTMJBGGNNUVESS-UHFFFAOYSA-N -1 3 385.475 3.440 20 0 GGADHM Cc1ccc(N2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000737352621 599414619 /nfs/dbraw/zinc/41/46/19/599414619.db2.gz QTMJBGGNNUVESS-UHFFFAOYSA-N -1 3 385.475 3.440 20 0 GGADHM CC(C)Oc1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820173400 607375348 /nfs/dbraw/zinc/37/53/48/607375348.db2.gz DGVIIFSWGJGDBL-KHPPLWFESA-N -1 3 385.449 3.067 20 0 GGADHM CC(C)Oc1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000820173400 607375350 /nfs/dbraw/zinc/37/53/50/607375350.db2.gz DGVIIFSWGJGDBL-KHPPLWFESA-N -1 3 385.449 3.067 20 0 GGADHM Fc1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)ccc1-n1ccnc1 ZINC000737645030 599416370 /nfs/dbraw/zinc/41/63/70/599416370.db2.gz OEKYZHPHDVDBOR-UHFFFAOYSA-N -1 3 386.394 3.352 20 0 GGADHM Fc1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)ccc1-n1ccnc1 ZINC000737645030 599416373 /nfs/dbraw/zinc/41/63/73/599416373.db2.gz OEKYZHPHDVDBOR-UHFFFAOYSA-N -1 3 386.394 3.352 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820020492 599416649 /nfs/dbraw/zinc/41/66/49/599416649.db2.gz HXUSJTYYJXEKSX-SFHVURJKSA-N -1 3 382.443 3.072 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820020492 599416653 /nfs/dbraw/zinc/41/66/53/599416653.db2.gz HXUSJTYYJXEKSX-SFHVURJKSA-N -1 3 382.443 3.072 20 0 GGADHM C[C@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820741432 599417659 /nfs/dbraw/zinc/41/76/59/599417659.db2.gz DCVUXNJSEOFZOT-KXBFYZLASA-N -1 3 376.464 3.202 20 0 GGADHM C[C@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820741432 599417662 /nfs/dbraw/zinc/41/76/62/599417662.db2.gz DCVUXNJSEOFZOT-KXBFYZLASA-N -1 3 376.464 3.202 20 0 GGADHM CC(C)(C)OC(=O)NCC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735635550 599421705 /nfs/dbraw/zinc/42/17/05/599421705.db2.gz FWRUKKUDFDCCAZ-UHFFFAOYSA-N -1 3 392.891 3.261 20 0 GGADHM CC(C)(C)OC(=O)NCC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000735635550 599421706 /nfs/dbraw/zinc/42/17/06/599421706.db2.gz FWRUKKUDFDCCAZ-UHFFFAOYSA-N -1 3 392.891 3.261 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)c(Cl)c1 ZINC000820365539 599422351 /nfs/dbraw/zinc/42/23/51/599422351.db2.gz KUBCLBLJXFGZCW-SECBINFHSA-N -1 3 392.797 3.359 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)c(Cl)c1 ZINC000820365539 599422353 /nfs/dbraw/zinc/42/23/53/599422353.db2.gz KUBCLBLJXFGZCW-SECBINFHSA-N -1 3 392.797 3.359 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824412872 607376658 /nfs/dbraw/zinc/37/66/58/607376658.db2.gz GYVLXZILMJGRCL-CYBMUJFWSA-N -1 3 382.395 3.001 20 0 GGADHM C[C@H](CCc1ccccc1F)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824412872 607376660 /nfs/dbraw/zinc/37/66/60/607376660.db2.gz GYVLXZILMJGRCL-CYBMUJFWSA-N -1 3 382.395 3.001 20 0 GGADHM Cc1csc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000737451907 599429141 /nfs/dbraw/zinc/42/91/41/599429141.db2.gz FWDOEBNUYKWQKY-NSHDSACASA-N -1 3 375.889 3.000 20 0 GGADHM Cc1csc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000737451907 599429143 /nfs/dbraw/zinc/42/91/43/599429143.db2.gz FWDOEBNUYKWQKY-NSHDSACASA-N -1 3 375.889 3.000 20 0 GGADHM COc1ccc(C[C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737089096 599431474 /nfs/dbraw/zinc/43/14/74/599431474.db2.gz UISPVIMYQJJYJB-ZDUSSCGKSA-N -1 3 390.447 3.475 20 0 GGADHM COc1ccc(C[C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737089096 599431476 /nfs/dbraw/zinc/43/14/76/599431476.db2.gz UISPVIMYQJJYJB-ZDUSSCGKSA-N -1 3 390.447 3.475 20 0 GGADHM COc1cc(OC)c(CCNc2cc(Cl)ccc2-c2nnn[n-]2)c(OC)c1 ZINC000737050207 599433703 /nfs/dbraw/zinc/43/37/03/599433703.db2.gz BKEVQXDZRMEEMN-UHFFFAOYSA-N -1 3 389.843 3.201 20 0 GGADHM COc1cc(OC)c(CCNc2cc(Cl)ccc2-c2nn[n-]n2)c(OC)c1 ZINC000737050207 599433704 /nfs/dbraw/zinc/43/37/04/599433704.db2.gz BKEVQXDZRMEEMN-UHFFFAOYSA-N -1 3 389.843 3.201 20 0 GGADHM O=C(COC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416053 607378545 /nfs/dbraw/zinc/37/85/45/607378545.db2.gz GBVITFOEIVOXED-UHFFFAOYSA-N -1 3 393.790 3.108 20 0 GGADHM O=C(COC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416053 607378546 /nfs/dbraw/zinc/37/85/46/607378546.db2.gz GBVITFOEIVOXED-UHFFFAOYSA-N -1 3 393.790 3.108 20 0 GGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC ZINC000820920212 599439456 /nfs/dbraw/zinc/43/94/56/599439456.db2.gz NBAZQHSVDBPHCX-GUYCJALGSA-N -1 3 380.452 3.387 20 0 GGADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000820920212 599439460 /nfs/dbraw/zinc/43/94/60/599439460.db2.gz NBAZQHSVDBPHCX-GUYCJALGSA-N -1 3 380.452 3.387 20 0 GGADHM CC(=O)N(Cc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1)C1CC1 ZINC000735461902 599440085 /nfs/dbraw/zinc/44/00/85/599440085.db2.gz TUGYCLLVTRESCK-UHFFFAOYSA-N -1 3 383.843 3.170 20 0 GGADHM CC(=O)N(Cc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1)C1CC1 ZINC000735461902 599440087 /nfs/dbraw/zinc/44/00/87/599440087.db2.gz TUGYCLLVTRESCK-UHFFFAOYSA-N -1 3 383.843 3.170 20 0 GGADHM CCC[C@H](C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821014717 599444932 /nfs/dbraw/zinc/44/49/32/599444932.db2.gz KENXLRCEMYYZRQ-GUYCJALGSA-N -1 3 394.483 3.101 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822351247 599452518 /nfs/dbraw/zinc/45/25/18/599452518.db2.gz MUFVZKBQYJVPJK-LJQANCHMSA-N -1 3 392.463 3.004 20 0 GGADHM O=C(COC(=O)C1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826414896 607379944 /nfs/dbraw/zinc/37/99/44/607379944.db2.gz LCISDLHPMACTMV-UHFFFAOYSA-N -1 3 376.416 3.006 20 0 GGADHM O=C(COC(=O)C1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826414896 607379945 /nfs/dbraw/zinc/37/99/45/607379945.db2.gz LCISDLHPMACTMV-UHFFFAOYSA-N -1 3 376.416 3.006 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736959767 599453582 /nfs/dbraw/zinc/45/35/82/599453582.db2.gz DIBHJVROSQQWBM-ZBEGNZNMSA-N -1 3 386.843 3.418 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736959767 599453584 /nfs/dbraw/zinc/45/35/84/599453584.db2.gz DIBHJVROSQQWBM-ZBEGNZNMSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196364 599456607 /nfs/dbraw/zinc/45/66/07/599456607.db2.gz GSEQQPZNFBLAAA-JKSUJKDBSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196364 599456608 /nfs/dbraw/zinc/45/66/08/599456608.db2.gz GSEQQPZNFBLAAA-JKSUJKDBSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1ccccc1C1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000822351764 599460118 /nfs/dbraw/zinc/46/01/18/599460118.db2.gz QFOKLYLNCZZPKJ-UHFFFAOYSA-N -1 3 394.454 3.403 20 0 GGADHM Cc1ccccc1C1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000822351764 599460121 /nfs/dbraw/zinc/46/01/21/599460121.db2.gz QFOKLYLNCZZPKJ-UHFFFAOYSA-N -1 3 394.454 3.403 20 0 GGADHM Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822238740 599460730 /nfs/dbraw/zinc/46/07/30/599460730.db2.gz SFOWBVVRNCJIKB-UHFFFAOYSA-N -1 3 378.480 3.057 20 0 GGADHM Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822238740 599460732 /nfs/dbraw/zinc/46/07/32/599460732.db2.gz SFOWBVVRNCJIKB-UHFFFAOYSA-N -1 3 378.480 3.057 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820668300 599460762 /nfs/dbraw/zinc/46/07/62/599460762.db2.gz RHXZZOPQSLOPQS-SGTLLEGYSA-N -1 3 398.417 3.438 20 0 GGADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820668300 599460764 /nfs/dbraw/zinc/46/07/64/599460764.db2.gz RHXZZOPQSLOPQS-SGTLLEGYSA-N -1 3 398.417 3.438 20 0 GGADHM OC1CCN(c2ccc(NCc3cccc(Cl)c3)cc2-c2nnn[n-]2)CC1 ZINC000823706955 599461021 /nfs/dbraw/zinc/46/10/21/599461021.db2.gz SGABXVQZRUYTRM-UHFFFAOYSA-N -1 3 384.871 3.093 20 0 GGADHM OC1CCN(c2ccc(NCc3cccc(Cl)c3)cc2-c2nn[n-]n2)CC1 ZINC000823706955 599461023 /nfs/dbraw/zinc/46/10/23/599461023.db2.gz SGABXVQZRUYTRM-UHFFFAOYSA-N -1 3 384.871 3.093 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822350731 599461406 /nfs/dbraw/zinc/46/14/06/599461406.db2.gz GHIHMMHVKIESAU-GOSISDBHSA-N -1 3 380.427 3.361 20 0 GGADHM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822350731 599461407 /nfs/dbraw/zinc/46/14/07/599461407.db2.gz GHIHMMHVKIESAU-GOSISDBHSA-N -1 3 380.427 3.361 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823233250 599461859 /nfs/dbraw/zinc/46/18/59/599461859.db2.gz FHNCNBZGLLXIHA-UHFFFAOYSA-N -1 3 398.417 3.267 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823233250 599461862 /nfs/dbraw/zinc/46/18/62/599461862.db2.gz FHNCNBZGLLXIHA-UHFFFAOYSA-N -1 3 398.417 3.267 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824450295 607380577 /nfs/dbraw/zinc/38/05/77/607380577.db2.gz ULZNVWITWIKNRO-CQSZACIVSA-N -1 3 396.472 3.162 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824450295 607380578 /nfs/dbraw/zinc/38/05/78/607380578.db2.gz ULZNVWITWIKNRO-CQSZACIVSA-N -1 3 396.472 3.162 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1c1cccc(F)c1 ZINC000823233725 599464223 /nfs/dbraw/zinc/46/42/23/599464223.db2.gz HVAMETLKZCSIKO-KRWDZBQOSA-N -1 3 384.390 3.192 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1c1cccc(F)c1 ZINC000823233725 599464224 /nfs/dbraw/zinc/46/42/24/599464224.db2.gz HVAMETLKZCSIKO-KRWDZBQOSA-N -1 3 384.390 3.192 20 0 GGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000822351963 599464395 /nfs/dbraw/zinc/46/43/95/599464395.db2.gz SGGWTCSAGFEDAF-YOEHRIQHSA-N -1 3 394.454 3.402 20 0 GGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000822351963 599464396 /nfs/dbraw/zinc/46/43/96/599464396.db2.gz SGGWTCSAGFEDAF-YOEHRIQHSA-N -1 3 394.454 3.402 20 0 GGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)c1ccccn1 ZINC000736741975 599465574 /nfs/dbraw/zinc/46/55/74/599465574.db2.gz JYRAMXFLQYCEHT-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)c1ccccn1 ZINC000736741975 599465575 /nfs/dbraw/zinc/46/55/75/599465575.db2.gz JYRAMXFLQYCEHT-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Oc2nccs2)c1 ZINC000736821405 599466136 /nfs/dbraw/zinc/46/61/36/599466136.db2.gz FKHKILZRHJBVFM-UHFFFAOYSA-N -1 3 392.444 3.388 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Oc2nccs2)c1 ZINC000736821405 599466137 /nfs/dbraw/zinc/46/61/37/599466137.db2.gz FKHKILZRHJBVFM-UHFFFAOYSA-N -1 3 392.444 3.388 20 0 GGADHM C[C@H](NC(=O)NCc1cc2c(s1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820364923 599473977 /nfs/dbraw/zinc/47/39/77/599473977.db2.gz GQYZZFZBSGEUSR-LBPRGKRZSA-N -1 3 382.493 3.367 20 0 GGADHM C[C@H](NC(=O)NCc1cc2c(s1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820364923 599473978 /nfs/dbraw/zinc/47/39/78/599473978.db2.gz GQYZZFZBSGEUSR-LBPRGKRZSA-N -1 3 382.493 3.367 20 0 GGADHM CN(CCCOc1ccc(F)cc1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821600456 599474288 /nfs/dbraw/zinc/47/42/88/599474288.db2.gz NHTUXNXXIYJNQO-UHFFFAOYSA-N -1 3 378.411 3.459 20 0 GGADHM CN(CCCOc1ccc(F)cc1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821600456 599474292 /nfs/dbraw/zinc/47/42/92/599474292.db2.gz NHTUXNXXIYJNQO-UHFFFAOYSA-N -1 3 378.411 3.459 20 0 GGADHM O=C1CCCN1Cc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000823530069 599475536 /nfs/dbraw/zinc/47/55/36/599475536.db2.gz BQGMLHLDGNOKGC-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM O=C1CCCN1Cc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000823530069 599475537 /nfs/dbraw/zinc/47/55/37/599475537.db2.gz BQGMLHLDGNOKGC-UHFFFAOYSA-N -1 3 382.855 3.255 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC2CCOCC2)cc1 ZINC000737641136 599475771 /nfs/dbraw/zinc/47/57/71/599475771.db2.gz SGDOLPWYDAZGJT-UHFFFAOYSA-N -1 3 383.427 3.423 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCC2CCOCC2)cc1 ZINC000737641136 599475773 /nfs/dbraw/zinc/47/57/73/599475773.db2.gz SGDOLPWYDAZGJT-UHFFFAOYSA-N -1 3 383.427 3.423 20 0 GGADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339277 599476645 /nfs/dbraw/zinc/47/66/45/599476645.db2.gz BATHCKLDMQZPAB-SNVBAGLBSA-N -1 3 376.873 3.484 20 0 GGADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339277 599476647 /nfs/dbraw/zinc/47/66/47/599476647.db2.gz BATHCKLDMQZPAB-SNVBAGLBSA-N -1 3 376.873 3.484 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348126 599477848 /nfs/dbraw/zinc/47/78/48/599477848.db2.gz ACWSULYGNMMVPC-LIRRHRJNSA-N -1 3 394.454 3.484 20 0 GGADHM C[C@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348126 599477850 /nfs/dbraw/zinc/47/78/50/599477850.db2.gz ACWSULYGNMMVPC-LIRRHRJNSA-N -1 3 394.454 3.484 20 0 GGADHM Cc1oc(NC(=O)CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737553970 599478316 /nfs/dbraw/zinc/47/83/16/599478316.db2.gz YQZVOXWCHZONOO-XHDPSFHLSA-N -1 3 398.442 3.032 20 0 GGADHM CC(C)Oc1ncccc1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000820178177 599479813 /nfs/dbraw/zinc/47/98/13/599479813.db2.gz JLQMQVJMOAQELZ-UHFFFAOYSA-N -1 3 395.854 3.285 20 0 GGADHM CC(C)Oc1ncccc1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000820178177 599479816 /nfs/dbraw/zinc/47/98/16/599479816.db2.gz JLQMQVJMOAQELZ-UHFFFAOYSA-N -1 3 395.854 3.285 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000737300451 599481283 /nfs/dbraw/zinc/48/12/83/599481283.db2.gz YBOBSWFBSQQCNQ-OAHLLOKOSA-N -1 3 387.465 3.074 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000737300451 599481285 /nfs/dbraw/zinc/48/12/85/599481285.db2.gz YBOBSWFBSQQCNQ-OAHLLOKOSA-N -1 3 387.465 3.074 20 0 GGADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000820921528 599481324 /nfs/dbraw/zinc/48/13/24/599481324.db2.gz ZCGMMVKHDGFLBP-SWLSCSKDSA-N -1 3 390.451 3.255 20 0 GGADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC000820921528 599481326 /nfs/dbraw/zinc/48/13/26/599481326.db2.gz ZCGMMVKHDGFLBP-SWLSCSKDSA-N -1 3 390.451 3.255 20 0 GGADHM CCC(=O)Nc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)c1 ZINC000820838317 599481723 /nfs/dbraw/zinc/48/17/23/599481723.db2.gz SFMJOTQQLXCIKR-UHFFFAOYSA-N -1 3 387.447 3.106 20 0 GGADHM CCC(=O)Nc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)c1 ZINC000820838317 599481725 /nfs/dbraw/zinc/48/17/25/599481725.db2.gz SFMJOTQQLXCIKR-UHFFFAOYSA-N -1 3 387.447 3.106 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821889982 599482635 /nfs/dbraw/zinc/48/26/35/599482635.db2.gz IRZZNHJYPHZMHI-CABCVRRESA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821889982 599482638 /nfs/dbraw/zinc/48/26/38/599482638.db2.gz IRZZNHJYPHZMHI-CABCVRRESA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821778054 599483843 /nfs/dbraw/zinc/48/38/43/599483843.db2.gz SNUXKYJUFSFYKJ-ZIAGYGMSSA-N -1 3 380.452 3.339 20 0 GGADHM COc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821778054 599483845 /nfs/dbraw/zinc/48/38/45/599483845.db2.gz SNUXKYJUFSFYKJ-ZIAGYGMSSA-N -1 3 380.452 3.339 20 0 GGADHM COc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821778053 599484070 /nfs/dbraw/zinc/48/40/70/599484070.db2.gz SNUXKYJUFSFYKJ-UONOGXRCSA-N -1 3 380.452 3.339 20 0 GGADHM COc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821778053 599484072 /nfs/dbraw/zinc/48/40/72/599484072.db2.gz SNUXKYJUFSFYKJ-UONOGXRCSA-N -1 3 380.452 3.339 20 0 GGADHM C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375200 599484137 /nfs/dbraw/zinc/48/41/37/599484137.db2.gz ZWGBFYGZCQVEDM-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375200 599484140 /nfs/dbraw/zinc/48/41/40/599484140.db2.gz ZWGBFYGZCQVEDM-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC(F)(F)F ZINC000820087288 599485061 /nfs/dbraw/zinc/48/50/61/599485061.db2.gz OWLGZYJOFMZDMM-UHFFFAOYSA-N -1 3 384.406 3.377 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC(F)(F)F ZINC000820087288 599485063 /nfs/dbraw/zinc/48/50/63/599485063.db2.gz OWLGZYJOFMZDMM-UHFFFAOYSA-N -1 3 384.406 3.377 20 0 GGADHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)c1OC ZINC000821869035 599485435 /nfs/dbraw/zinc/48/54/35/599485435.db2.gz ZBJMCLRGBWPPJK-UHFFFAOYSA-N -1 3 390.447 3.083 20 0 GGADHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)c1OC ZINC000821869035 599485437 /nfs/dbraw/zinc/48/54/37/599485437.db2.gz ZBJMCLRGBWPPJK-UHFFFAOYSA-N -1 3 390.447 3.083 20 0 GGADHM C[C@H](NC(=O)N1CCc2cccc(F)c2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351424 599485972 /nfs/dbraw/zinc/48/59/72/599485972.db2.gz OOQOANXSFYTSRV-STQMWFEESA-N -1 3 380.427 3.396 20 0 GGADHM C[C@H](NC(=O)N1CCc2cccc(F)c2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351424 599485973 /nfs/dbraw/zinc/48/59/73/599485973.db2.gz OOQOANXSFYTSRV-STQMWFEESA-N -1 3 380.427 3.396 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342428 599486041 /nfs/dbraw/zinc/48/60/41/599486041.db2.gz UGFRBPRTJRTCDU-WBVHZDCISA-N -1 3 376.464 3.202 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342428 599486043 /nfs/dbraw/zinc/48/60/43/599486043.db2.gz UGFRBPRTJRTCDU-WBVHZDCISA-N -1 3 376.464 3.202 20 0 GGADHM Cc1ccc2nc(CNc3c(-c4nnn[n-]4)cnc4c(C)cc(C)cc43)cn2c1 ZINC000822196849 599488110 /nfs/dbraw/zinc/48/81/10/599488110.db2.gz YSTINMVQWXHOQJ-UHFFFAOYSA-N -1 3 384.447 3.022 20 0 GGADHM Cc1ccc2nc(CNc3c(-c4nn[n-]n4)cnc4c(C)cc(C)cc43)cn2c1 ZINC000822196849 599488113 /nfs/dbraw/zinc/48/81/13/599488113.db2.gz YSTINMVQWXHOQJ-UHFFFAOYSA-N -1 3 384.447 3.022 20 0 GGADHM Cc1ccn2cc(CNc3c(-c4nnn[n-]4)cnc4ccc(Cl)cc43)nc2c1 ZINC000822374309 599491232 /nfs/dbraw/zinc/49/12/32/599491232.db2.gz QHIVZVVLEWIZFX-UHFFFAOYSA-N -1 3 390.838 3.058 20 0 GGADHM Cc1ccn2cc(CNc3c(-c4nn[n-]n4)cnc4ccc(Cl)cc43)nc2c1 ZINC000822374309 599491233 /nfs/dbraw/zinc/49/12/33/599491233.db2.gz QHIVZVVLEWIZFX-UHFFFAOYSA-N -1 3 390.838 3.058 20 0 GGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736238502 599492207 /nfs/dbraw/zinc/49/22/07/599492207.db2.gz ZJFRVUWHMPPNMT-GUYCJALGSA-N -1 3 380.427 3.093 20 0 GGADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736238502 599492209 /nfs/dbraw/zinc/49/22/09/599492209.db2.gz ZJFRVUWHMPPNMT-GUYCJALGSA-N -1 3 380.427 3.093 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCc1ccc2ccccc2n1 ZINC000822335342 599501489 /nfs/dbraw/zinc/50/14/89/599501489.db2.gz JZGDBRKPHPFMMT-UHFFFAOYSA-N -1 3 381.443 3.348 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCc1ccc2ccccc2n1 ZINC000822335342 599501491 /nfs/dbraw/zinc/50/14/91/599501491.db2.gz JZGDBRKPHPFMMT-UHFFFAOYSA-N -1 3 381.443 3.348 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000737064662 599501540 /nfs/dbraw/zinc/50/15/40/599501540.db2.gz XUNQBZXWUQOHPA-UHFFFAOYSA-N -1 3 387.469 3.005 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000737064662 599501542 /nfs/dbraw/zinc/50/15/42/599501542.db2.gz XUNQBZXWUQOHPA-UHFFFAOYSA-N -1 3 387.469 3.005 20 0 GGADHM Cc1nc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000737468426 599502458 /nfs/dbraw/zinc/50/24/58/599502458.db2.gz ZXBADZXGHSKLPC-LLVKDONJSA-N -1 3 385.497 3.236 20 0 GGADHM Cc1nc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737468426 599502461 /nfs/dbraw/zinc/50/24/61/599502461.db2.gz ZXBADZXGHSKLPC-LLVKDONJSA-N -1 3 385.497 3.236 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397056 599504723 /nfs/dbraw/zinc/50/47/23/599504723.db2.gz LHCJXZBDUJMRDE-CYBMUJFWSA-N -1 3 376.395 3.288 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397056 599504726 /nfs/dbraw/zinc/50/47/26/599504726.db2.gz LHCJXZBDUJMRDE-CYBMUJFWSA-N -1 3 376.395 3.288 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)no1 ZINC000820203128 599508300 /nfs/dbraw/zinc/50/83/00/599508300.db2.gz QAUKRVOBCRJRRN-JTQLQIEISA-N -1 3 375.383 3.035 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)no1 ZINC000820203128 599508301 /nfs/dbraw/zinc/50/83/01/599508301.db2.gz QAUKRVOBCRJRRN-JTQLQIEISA-N -1 3 375.383 3.035 20 0 GGADHM Cc1nn(C)c(C)c1CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822491513 599512049 /nfs/dbraw/zinc/51/20/49/599512049.db2.gz BPTWSGMLILTTKL-UHFFFAOYSA-N -1 3 382.859 3.055 20 0 GGADHM Cc1nn(C)c(C)c1CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822491513 599512050 /nfs/dbraw/zinc/51/20/50/599512050.db2.gz BPTWSGMLILTTKL-UHFFFAOYSA-N -1 3 382.859 3.055 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335534 599514025 /nfs/dbraw/zinc/51/40/25/599514025.db2.gz ZLRKVPLZYRWLOP-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335534 599514028 /nfs/dbraw/zinc/51/40/28/599514028.db2.gz ZLRKVPLZYRWLOP-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820326829 599514238 /nfs/dbraw/zinc/51/42/38/599514238.db2.gz AKFMUKSDJZTRKY-NSHDSACASA-N -1 3 390.369 3.175 20 0 GGADHM C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820326829 599514240 /nfs/dbraw/zinc/51/42/40/599514240.db2.gz AKFMUKSDJZTRKY-NSHDSACASA-N -1 3 390.369 3.175 20 0 GGADHM COc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1Br ZINC000821821653 599516279 /nfs/dbraw/zinc/51/62/79/599516279.db2.gz PNIDCPFACVECBZ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1Br ZINC000821821653 599516280 /nfs/dbraw/zinc/51/62/80/599516280.db2.gz PNIDCPFACVECBZ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCc3ccc4c(c3)CCO4)c2c1 ZINC000822581725 599517019 /nfs/dbraw/zinc/51/70/19/599517019.db2.gz MBZVXLVOAXJSGL-UHFFFAOYSA-N -1 3 378.823 3.037 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCc3ccc4c(c3)CCO4)c2c1 ZINC000822581725 599517023 /nfs/dbraw/zinc/51/70/23/599517023.db2.gz MBZVXLVOAXJSGL-UHFFFAOYSA-N -1 3 378.823 3.037 20 0 GGADHM COc1ccc2oc(C)c(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000821854152 599520095 /nfs/dbraw/zinc/52/00/95/599520095.db2.gz GRRJOPVKXUNKKV-LLVKDONJSA-N -1 3 377.404 3.421 20 0 GGADHM COc1ccc2oc(C)c(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000821854152 599520098 /nfs/dbraw/zinc/52/00/98/599520098.db2.gz GRRJOPVKXUNKKV-LLVKDONJSA-N -1 3 377.404 3.421 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CCCC2)nc1 ZINC000737628558 599521193 /nfs/dbraw/zinc/52/11/93/599521193.db2.gz XLRVGIGJEJFGAI-UHFFFAOYSA-N -1 3 389.385 3.493 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000822332300 599521391 /nfs/dbraw/zinc/52/13/91/599521391.db2.gz NFMFWJDMLAVCQL-UHFFFAOYSA-N -1 3 394.479 3.281 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000822332300 599521392 /nfs/dbraw/zinc/52/13/92/599521392.db2.gz NFMFWJDMLAVCQL-UHFFFAOYSA-N -1 3 394.479 3.281 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](CNc2ccccn2)C1 ZINC000737627320 599523228 /nfs/dbraw/zinc/52/32/28/599523228.db2.gz PMMAJBKUKZXIDI-GFCCVEGCSA-N -1 3 389.385 3.219 20 0 GGADHM O=C(CC1CCCCC1)NCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737820438 599523319 /nfs/dbraw/zinc/52/33/19/599523319.db2.gz JQSQUNHSOLTKIN-UHFFFAOYSA-N -1 3 396.417 3.384 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821891206 599524248 /nfs/dbraw/zinc/52/42/48/599524248.db2.gz XDIZUTFRNZCHED-GJZGRUSLSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821891206 599524249 /nfs/dbraw/zinc/52/42/49/599524249.db2.gz XDIZUTFRNZCHED-GJZGRUSLSA-N -1 3 379.464 3.321 20 0 GGADHM COc1cccc2c1OC[C@@H](Nc1ccc(-c3nn[n-]n3)cc1C(F)(F)F)C2 ZINC000737143461 599525445 /nfs/dbraw/zinc/52/54/45/599525445.db2.gz RJAZMOYAPSMKQJ-LBPRGKRZSA-N -1 3 391.353 3.310 20 0 GGADHM CN(C[C@@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1)C(=O)OC(C)(C)C ZINC000821597983 599526334 /nfs/dbraw/zinc/52/63/34/599526334.db2.gz NDHHHIYYDOZHTE-LBPRGKRZSA-N -1 3 392.891 3.213 20 0 GGADHM CN(C[C@@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1)C(=O)OC(C)(C)C ZINC000821597983 599526336 /nfs/dbraw/zinc/52/63/36/599526336.db2.gz NDHHHIYYDOZHTE-LBPRGKRZSA-N -1 3 392.891 3.213 20 0 GGADHM Cc1cc(Br)oc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822160290 599527258 /nfs/dbraw/zinc/52/72/58/599527258.db2.gz GPASLJWKWXEHPA-VIFPVBQESA-N -1 3 376.214 3.022 20 0 GGADHM Cc1cc(Br)oc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822160290 599527261 /nfs/dbraw/zinc/52/72/61/599527261.db2.gz GPASLJWKWXEHPA-VIFPVBQESA-N -1 3 376.214 3.022 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822224996 599532407 /nfs/dbraw/zinc/53/24/07/599532407.db2.gz IXGMFEPHGYUIOM-OAHLLOKOSA-N -1 3 377.448 3.324 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822224996 599532410 /nfs/dbraw/zinc/53/24/10/599532410.db2.gz IXGMFEPHGYUIOM-OAHLLOKOSA-N -1 3 377.448 3.324 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820536437 599532537 /nfs/dbraw/zinc/53/25/37/599532537.db2.gz UACNEFOOHPFREF-UONOGXRCSA-N -1 3 377.448 3.000 20 0 GGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820536437 599532540 /nfs/dbraw/zinc/53/25/40/599532540.db2.gz UACNEFOOHPFREF-UONOGXRCSA-N -1 3 377.448 3.000 20 0 GGADHM C[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392560 599534552 /nfs/dbraw/zinc/53/45/52/599534552.db2.gz VYAYLHABTVPZQS-VIFPVBQESA-N -1 3 399.505 3.095 20 0 GGADHM C[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392560 599534556 /nfs/dbraw/zinc/53/45/56/599534556.db2.gz VYAYLHABTVPZQS-VIFPVBQESA-N -1 3 399.505 3.095 20 0 GGADHM C[C@H](NC(=O)c1ccn(-c2ccccc2Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404155 599534669 /nfs/dbraw/zinc/53/46/69/599534669.db2.gz QFZLKRNRJUXAAX-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM C[C@H](NC(=O)c1ccn(-c2ccccc2Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404155 599534670 /nfs/dbraw/zinc/53/46/70/599534670.db2.gz QFZLKRNRJUXAAX-LBPRGKRZSA-N -1 3 393.838 3.197 20 0 GGADHM Cc1cc(N2CCC[C@@H](Nc3cc(Cl)ccc3-c3nn[n-]n3)C2)nc(C)n1 ZINC000822207357 599535222 /nfs/dbraw/zinc/53/52/22/599535222.db2.gz SWLLGNFDEFJVOZ-CQSZACIVSA-N -1 3 384.875 3.008 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000822335739 607382837 /nfs/dbraw/zinc/38/28/37/607382837.db2.gz LGTKDHIRBIIFGJ-UGSOOPFHSA-N -1 3 392.438 3.208 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000822335739 607382839 /nfs/dbraw/zinc/38/28/39/607382839.db2.gz LGTKDHIRBIIFGJ-UGSOOPFHSA-N -1 3 392.438 3.208 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccccc1F ZINC000737025146 599540004 /nfs/dbraw/zinc/54/00/04/599540004.db2.gz MAFOQAVXWSZTQQ-JTQLQIEISA-N -1 3 390.802 3.452 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccccc1F ZINC000737025146 599540007 /nfs/dbraw/zinc/54/00/07/599540007.db2.gz MAFOQAVXWSZTQQ-JTQLQIEISA-N -1 3 390.802 3.452 20 0 GGADHM COc1ccccc1[C@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737147536 599540336 /nfs/dbraw/zinc/54/03/36/599540336.db2.gz MMZYJBOUYWJUNI-ZDUSSCGKSA-N -1 3 380.477 3.062 20 0 GGADHM COc1ccccc1[C@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737147536 599540338 /nfs/dbraw/zinc/54/03/38/599540338.db2.gz MMZYJBOUYWJUNI-ZDUSSCGKSA-N -1 3 380.477 3.062 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736059890 599541930 /nfs/dbraw/zinc/54/19/30/599541930.db2.gz XRNHCQGSOHEWBA-AWEZNQCLSA-N -1 3 399.495 3.234 20 0 GGADHM C[C@@H](Cc1ccccc1F)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736059890 599541932 /nfs/dbraw/zinc/54/19/32/599541932.db2.gz XRNHCQGSOHEWBA-AWEZNQCLSA-N -1 3 399.495 3.234 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000736638033 599543857 /nfs/dbraw/zinc/54/38/57/599543857.db2.gz WWGKCCLTBQTAPN-UHFFFAOYSA-N -1 3 396.432 3.163 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335166 599544499 /nfs/dbraw/zinc/54/44/99/599544499.db2.gz UZMFKCVAKGXYCN-JTQLQIEISA-N -1 3 375.404 3.114 20 0 GGADHM C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335166 599544502 /nfs/dbraw/zinc/54/45/02/599544502.db2.gz UZMFKCVAKGXYCN-JTQLQIEISA-N -1 3 375.404 3.114 20 0 GGADHM CC(=O)N1CCCCC[C@H]1C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819796328 599546848 /nfs/dbraw/zinc/54/68/48/599546848.db2.gz FEQUFODAJSGURU-SFHVURJKSA-N -1 3 386.475 3.013 20 0 GGADHM CC(=O)N1CCCCC[C@H]1C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819796328 599546850 /nfs/dbraw/zinc/54/68/50/599546850.db2.gz FEQUFODAJSGURU-SFHVURJKSA-N -1 3 386.475 3.013 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000736167391 599547397 /nfs/dbraw/zinc/54/73/97/599547397.db2.gz FRDNGXQNAFGGPF-LBPRGKRZSA-N -1 3 385.855 3.339 20 0 GGADHM CCN(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCC1 ZINC000736509024 599548159 /nfs/dbraw/zinc/54/81/59/599548159.db2.gz QMDAUKHQSXNJQZ-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CCN(C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCC1 ZINC000736509024 599548161 /nfs/dbraw/zinc/54/81/61/599548161.db2.gz QMDAUKHQSXNJQZ-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737420096 599548739 /nfs/dbraw/zinc/54/87/39/599548739.db2.gz IEEGYWYQLVUXHQ-LZLYRXPVSA-N -1 3 391.475 3.347 20 0 GGADHM CSC(C)(C)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821950073 599548869 /nfs/dbraw/zinc/54/88/69/599548869.db2.gz KKAUUFPIDYJGSD-UHFFFAOYSA-N -1 3 397.504 3.317 20 0 GGADHM CSC(C)(C)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821950073 599548871 /nfs/dbraw/zinc/54/88/71/599548871.db2.gz KKAUUFPIDYJGSD-UHFFFAOYSA-N -1 3 397.504 3.317 20 0 GGADHM Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320279 599550943 /nfs/dbraw/zinc/55/09/43/599550943.db2.gz JVBHKZQFINZHCR-OXJNMPFZSA-N -1 3 390.491 3.064 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000819976629 599554121 /nfs/dbraw/zinc/55/41/21/599554121.db2.gz ZSIAKBQMDMHEIK-MRXNPFEDSA-N -1 3 395.467 3.029 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000819976629 599554123 /nfs/dbraw/zinc/55/41/23/599554123.db2.gz ZSIAKBQMDMHEIK-MRXNPFEDSA-N -1 3 395.467 3.029 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NC[C@H]3OCCc4ccccc43)c2c1 ZINC000822582403 599556064 /nfs/dbraw/zinc/55/60/64/599556064.db2.gz SJQPJDTWSWDEPF-GOSISDBHSA-N -1 3 392.850 3.216 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NC[C@H]3OCCc4ccccc43)c2c1 ZINC000822582403 599556066 /nfs/dbraw/zinc/55/60/66/599556066.db2.gz SJQPJDTWSWDEPF-GOSISDBHSA-N -1 3 392.850 3.216 20 0 GGADHM COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737078117 599556317 /nfs/dbraw/zinc/55/63/17/599556317.db2.gz UGPFEPQWBCLTNI-LLVKDONJSA-N -1 3 386.843 3.276 20 0 GGADHM COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737078117 599556318 /nfs/dbraw/zinc/55/63/18/599556318.db2.gz UGPFEPQWBCLTNI-LLVKDONJSA-N -1 3 386.843 3.276 20 0 GGADHM C[C@H]1CSCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736291526 599556427 /nfs/dbraw/zinc/55/64/27/599556427.db2.gz BSQBFXRAMVTBHC-AWEZNQCLSA-N -1 3 395.488 3.023 20 0 GGADHM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821457455 599557447 /nfs/dbraw/zinc/55/74/47/599557447.db2.gz WWJQPKHZYGFCMH-GFCCVEGCSA-N -1 3 379.534 3.419 20 0 GGADHM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821457455 599557449 /nfs/dbraw/zinc/55/74/49/599557449.db2.gz WWJQPKHZYGFCMH-GFCCVEGCSA-N -1 3 379.534 3.419 20 0 GGADHM Cc1ncc(CCNc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)s1 ZINC000822467068 607383908 /nfs/dbraw/zinc/38/39/08/607383908.db2.gz HAKZBAVOZGTGEM-UHFFFAOYSA-N -1 3 389.847 3.049 20 0 GGADHM Cc1ncc(CCNc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)s1 ZINC000822467068 607383909 /nfs/dbraw/zinc/38/39/09/607383909.db2.gz HAKZBAVOZGTGEM-UHFFFAOYSA-N -1 3 389.847 3.049 20 0 GGADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000821948669 599561959 /nfs/dbraw/zinc/56/19/59/599561959.db2.gz DLIWNJAKJUGFCE-NXEZZACHSA-N -1 3 376.436 3.201 20 0 GGADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000821948669 599561962 /nfs/dbraw/zinc/56/19/62/599561962.db2.gz DLIWNJAKJUGFCE-NXEZZACHSA-N -1 3 376.436 3.201 20 0 GGADHM CC(C)OCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735896874 599562141 /nfs/dbraw/zinc/56/21/41/599562141.db2.gz YCIAWRFRNSQTQY-UHFFFAOYSA-N -1 3 380.452 3.155 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CSc2ccccc21 ZINC000822775320 599562379 /nfs/dbraw/zinc/56/23/79/599562379.db2.gz VSCFZZUAZWCSEL-CYBMUJFWSA-N -1 3 382.399 3.374 20 0 GGADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CSc2ccccc21 ZINC000822775320 599562381 /nfs/dbraw/zinc/56/23/81/599562381.db2.gz VSCFZZUAZWCSEL-CYBMUJFWSA-N -1 3 382.399 3.374 20 0 GGADHM CS[C@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000821948679 599562385 /nfs/dbraw/zinc/56/23/85/599562385.db2.gz DLIWNJAKJUGFCE-UWVGGRQHSA-N -1 3 376.436 3.201 20 0 GGADHM CS[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000821948679 599562387 /nfs/dbraw/zinc/56/23/87/599562387.db2.gz DLIWNJAKJUGFCE-UWVGGRQHSA-N -1 3 376.436 3.201 20 0 GGADHM O=C(NOCc1ccccc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738139833 599563596 /nfs/dbraw/zinc/56/35/96/599563596.db2.gz QRCBABBMLSNBJX-UHFFFAOYSA-N -1 3 386.415 3.472 20 0 GGADHM Fc1cccc(N2CCc3sc(Br)cc3C2)c1-c1nnn[n-]1 ZINC000822791645 607384138 /nfs/dbraw/zinc/38/41/38/607384138.db2.gz KIKIHWRXVHOSDE-UHFFFAOYSA-N -1 3 380.246 3.393 20 0 GGADHM Fc1cccc(N2CCc3sc(Br)cc3C2)c1-c1nn[n-]n1 ZINC000822791645 607384140 /nfs/dbraw/zinc/38/41/40/607384140.db2.gz KIKIHWRXVHOSDE-UHFFFAOYSA-N -1 3 380.246 3.393 20 0 GGADHM Cc1ncc(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737491471 599565654 /nfs/dbraw/zinc/56/56/54/599565654.db2.gz JSXLOSOYLPVMHX-UHFFFAOYSA-N -1 3 391.460 3.305 20 0 GGADHM CC(C)N(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1cccc(F)c1 ZINC000820120646 599566156 /nfs/dbraw/zinc/56/61/56/599566156.db2.gz HMEBPWMLFMQSCW-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM CC(C)N(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1cccc(F)c1 ZINC000820120646 599566158 /nfs/dbraw/zinc/56/61/58/599566158.db2.gz HMEBPWMLFMQSCW-UHFFFAOYSA-N -1 3 393.426 3.466 20 0 GGADHM CC(C)CCOCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735818713 599566674 /nfs/dbraw/zinc/56/66/74/599566674.db2.gz CLJJRKVJXFZBHA-UHFFFAOYSA-N -1 3 394.479 3.403 20 0 GGADHM C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC(C)(C)O1 ZINC000736289081 599566963 /nfs/dbraw/zinc/56/69/63/599566963.db2.gz CNOODHHWMZIVQL-CQSZACIVSA-N -1 3 392.463 3.250 20 0 GGADHM O=C(N[C@H]1COc2ccccc21)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738037427 599567908 /nfs/dbraw/zinc/56/79/08/599567908.db2.gz VEOFTUHGGGRVCR-IBGZPJMESA-N -1 3 398.426 3.474 20 0 GGADHM CC[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H](C)O1 ZINC000736407843 599568872 /nfs/dbraw/zinc/56/88/72/599568872.db2.gz HNDICZQRWTWKLL-KUHUBIRLSA-N -1 3 392.463 3.250 20 0 GGADHM C[C@@H]1c2ccc(F)cc2CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820827241 599576046 /nfs/dbraw/zinc/57/60/46/599576046.db2.gz QVUQIXKWADITKQ-GFCCVEGCSA-N -1 3 391.410 3.175 20 0 GGADHM C[C@@H]1c2ccc(F)cc2CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820827241 599576049 /nfs/dbraw/zinc/57/60/49/599576049.db2.gz QVUQIXKWADITKQ-GFCCVEGCSA-N -1 3 391.410 3.175 20 0 GGADHM COc1ccc(C[C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000821790020 599591710 /nfs/dbraw/zinc/59/17/10/599591710.db2.gz FGAMXIIYSZDFNF-INIZCTEOSA-N -1 3 390.491 3.218 20 0 GGADHM COc1ccc(C[C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)cc1 ZINC000821790020 599591714 /nfs/dbraw/zinc/59/17/14/599591714.db2.gz FGAMXIIYSZDFNF-INIZCTEOSA-N -1 3 390.491 3.218 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737328766 599597461 /nfs/dbraw/zinc/59/74/61/599597461.db2.gz HMGZATSDSRAQHX-BEFAXECRSA-N -1 3 397.504 3.337 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737328766 599597463 /nfs/dbraw/zinc/59/74/63/599597463.db2.gz HMGZATSDSRAQHX-BEFAXECRSA-N -1 3 397.504 3.337 20 0 GGADHM C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736138172 599604130 /nfs/dbraw/zinc/60/41/30/599604130.db2.gz ONGXANFHRIOWOZ-NSHDSACASA-N -1 3 382.855 3.448 20 0 GGADHM C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736138172 599604131 /nfs/dbraw/zinc/60/41/31/599604131.db2.gz ONGXANFHRIOWOZ-NSHDSACASA-N -1 3 382.855 3.448 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000736329965 599605296 /nfs/dbraw/zinc/60/52/96/599605296.db2.gz BKKUOBCFAOKZEX-OAHLLOKOSA-N -1 3 393.447 3.241 20 0 GGADHM CC[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000736329965 599605298 /nfs/dbraw/zinc/60/52/98/599605298.db2.gz BKKUOBCFAOKZEX-OAHLLOKOSA-N -1 3 393.447 3.241 20 0 GGADHM Cc1cccc(C)c1COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737389545 599605738 /nfs/dbraw/zinc/60/57/38/599605738.db2.gz KGNMBMCHYABPSF-IBGZPJMESA-N -1 3 377.448 3.196 20 0 GGADHM CC[C@H](COC)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736355346 599609495 /nfs/dbraw/zinc/60/94/95/599609495.db2.gz ZOXOPTNEIXKCEM-CQSZACIVSA-N -1 3 382.424 3.206 20 0 GGADHM CC[C@H](COC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736355346 599609496 /nfs/dbraw/zinc/60/94/96/599609496.db2.gz ZOXOPTNEIXKCEM-CQSZACIVSA-N -1 3 382.424 3.206 20 0 GGADHM CC[C@@H](COC)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736353645 599609703 /nfs/dbraw/zinc/60/97/03/599609703.db2.gz OZZWLCYTMOKOQU-ZDUSSCGKSA-N -1 3 382.424 3.206 20 0 GGADHM CC[C@@H](COC)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736353645 599609705 /nfs/dbraw/zinc/60/97/05/599609705.db2.gz OZZWLCYTMOKOQU-ZDUSSCGKSA-N -1 3 382.424 3.206 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000737062369 599610364 /nfs/dbraw/zinc/61/03/64/599610364.db2.gz KAWCKUYFFFNLDT-RDJZCZTQSA-N -1 3 392.463 3.408 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000737062369 599610365 /nfs/dbraw/zinc/61/03/65/599610365.db2.gz KAWCKUYFFFNLDT-RDJZCZTQSA-N -1 3 392.463 3.408 20 0 GGADHM Cc1cn2cc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)ccc2n1 ZINC000737444886 599612066 /nfs/dbraw/zinc/61/20/66/599612066.db2.gz BYGSGDRSVLPOKR-UHFFFAOYSA-N -1 3 388.435 3.019 20 0 GGADHM Cc1cn2cc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)ccc2n1 ZINC000737444886 599612068 /nfs/dbraw/zinc/61/20/68/599612068.db2.gz BYGSGDRSVLPOKR-UHFFFAOYSA-N -1 3 388.435 3.019 20 0 GGADHM C[C@H](C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)c1cccs1 ZINC000735572123 599616817 /nfs/dbraw/zinc/61/68/17/599616817.db2.gz RRFMRFLKMVSRAS-LBPRGKRZSA-N -1 3 395.444 3.202 20 0 GGADHM C[C@H](C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)c1cccs1 ZINC000735572123 599616819 /nfs/dbraw/zinc/61/68/19/599616819.db2.gz RRFMRFLKMVSRAS-LBPRGKRZSA-N -1 3 395.444 3.202 20 0 GGADHM C[C@H](C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccsc1 ZINC000735571383 599617285 /nfs/dbraw/zinc/61/72/85/599617285.db2.gz CIBPPMZWEYQMKU-LBPRGKRZSA-N -1 3 395.444 3.202 20 0 GGADHM C[C@H](C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccsc1 ZINC000735571383 599617287 /nfs/dbraw/zinc/61/72/87/599617287.db2.gz CIBPPMZWEYQMKU-LBPRGKRZSA-N -1 3 395.444 3.202 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)Cc1ccccc1F ZINC000736036884 599617390 /nfs/dbraw/zinc/61/73/90/599617390.db2.gz IRKFBNVTXVBTEC-ZIAGYGMSSA-N -1 3 384.411 3.195 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)Cc1ccccc1F ZINC000736036884 599617392 /nfs/dbraw/zinc/61/73/92/599617392.db2.gz IRKFBNVTXVBTEC-ZIAGYGMSSA-N -1 3 384.411 3.195 20 0 GGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000735839139 599618925 /nfs/dbraw/zinc/61/89/25/599618925.db2.gz LKDDZVJEMJKMPN-IAOVAPTHSA-N -1 3 388.468 3.017 20 0 GGADHM CC(C)CO[C@@H]1C[C@@H](OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000735839139 599618926 /nfs/dbraw/zinc/61/89/26/599618926.db2.gz LKDDZVJEMJKMPN-IAOVAPTHSA-N -1 3 388.468 3.017 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821389600 599620746 /nfs/dbraw/zinc/62/07/46/599620746.db2.gz PPYGRBLOYFOWGO-JTSKRJEESA-N -1 3 390.443 3.465 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000821389600 599620747 /nfs/dbraw/zinc/62/07/47/599620747.db2.gz PPYGRBLOYFOWGO-JTSKRJEESA-N -1 3 390.443 3.465 20 0 GGADHM C[C@H](OC(=O)c1ccnc(OCC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820519336 599621502 /nfs/dbraw/zinc/62/15/02/599621502.db2.gz RUMYTUHVRSCUFQ-JTQLQIEISA-N -1 3 393.325 3.121 20 0 GGADHM C[C@H](OC(=O)c1ccnc(OCC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820519336 599621503 /nfs/dbraw/zinc/62/15/03/599621503.db2.gz RUMYTUHVRSCUFQ-JTQLQIEISA-N -1 3 393.325 3.121 20 0 GGADHM Cc1ccc([C@@H](C)C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)o1 ZINC000822227751 599621742 /nfs/dbraw/zinc/62/17/42/599621742.db2.gz UQJWBQWWLRAUSA-CYBMUJFWSA-N -1 3 393.403 3.042 20 0 GGADHM Cc1ccc([C@@H](C)C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)o1 ZINC000822227751 599621743 /nfs/dbraw/zinc/62/17/43/599621743.db2.gz UQJWBQWWLRAUSA-CYBMUJFWSA-N -1 3 393.403 3.042 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819946558 599625924 /nfs/dbraw/zinc/62/59/24/599625924.db2.gz OBKRGWULJPKSLN-UHFFFAOYSA-N -1 3 381.392 3.433 20 0 GGADHM CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819946558 599625925 /nfs/dbraw/zinc/62/59/25/599625925.db2.gz OBKRGWULJPKSLN-UHFFFAOYSA-N -1 3 381.392 3.433 20 0 GGADHM O=C(Nc1ccccc1COC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000823431524 599626866 /nfs/dbraw/zinc/62/68/66/599626866.db2.gz QFWJVOOUXSTKIG-UHFFFAOYSA-N -1 3 389.371 3.069 20 0 GGADHM O=C(Nc1ccccc1COC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823431524 599626867 /nfs/dbraw/zinc/62/68/67/599626867.db2.gz QFWJVOOUXSTKIG-UHFFFAOYSA-N -1 3 389.371 3.069 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)O1 ZINC000820728382 599628375 /nfs/dbraw/zinc/62/83/75/599628375.db2.gz VLFJBQJBKVXLMD-IJLUTSLNSA-N -1 3 375.498 3.339 20 0 GGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)O1 ZINC000820728382 599628376 /nfs/dbraw/zinc/62/83/76/599628376.db2.gz VLFJBQJBKVXLMD-IJLUTSLNSA-N -1 3 375.498 3.339 20 0 GGADHM COc1ccc(-c2ncc(C(=O)Nc3sccc3-c3nnn[n-]3)s2)cc1 ZINC000821732920 599629569 /nfs/dbraw/zinc/62/95/69/599629569.db2.gz XGAKZWUKGFULDQ-UHFFFAOYSA-N -1 3 384.446 3.313 20 0 GGADHM COc1ccc(-c2ncc(C(=O)Nc3sccc3-c3nn[n-]n3)s2)cc1 ZINC000821732920 599629570 /nfs/dbraw/zinc/62/95/70/599629570.db2.gz XGAKZWUKGFULDQ-UHFFFAOYSA-N -1 3 384.446 3.313 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000821389192 599629653 /nfs/dbraw/zinc/62/96/53/599629653.db2.gz IHFWZKIWBUCAPK-PWSUYJOCSA-N -1 3 380.832 3.172 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000821389192 599629654 /nfs/dbraw/zinc/62/96/54/599629654.db2.gz IHFWZKIWBUCAPK-PWSUYJOCSA-N -1 3 380.832 3.172 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)CC1CCC1 ZINC000821389526 599629725 /nfs/dbraw/zinc/62/97/25/599629725.db2.gz MYVMXFZZTHYLDM-UHFFFAOYSA-N -1 3 381.230 3.124 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)CC1CCC1 ZINC000821389526 599629726 /nfs/dbraw/zinc/62/97/26/599629726.db2.gz MYVMXFZZTHYLDM-UHFFFAOYSA-N -1 3 381.230 3.124 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cc(F)ccc1F ZINC000821389350 599629728 /nfs/dbraw/zinc/62/97/28/599629728.db2.gz JRWOXYXAFUOOSJ-UHFFFAOYSA-N -1 3 394.765 3.345 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cc(F)ccc1F ZINC000821389350 599629729 /nfs/dbraw/zinc/62/97/29/599629729.db2.gz JRWOXYXAFUOOSJ-UHFFFAOYSA-N -1 3 394.765 3.345 20 0 GGADHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc2cc(C(F)(F)F)ccc21 ZINC000822595769 599631455 /nfs/dbraw/zinc/63/14/55/599631455.db2.gz DEOJZMDCVJMAJB-UHFFFAOYSA-N -1 3 387.325 3.025 20 0 GGADHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc2cc(C(F)(F)F)ccc21 ZINC000822595769 599631456 /nfs/dbraw/zinc/63/14/56/599631456.db2.gz DEOJZMDCVJMAJB-UHFFFAOYSA-N -1 3 387.325 3.025 20 0 GGADHM COc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821790896 599631936 /nfs/dbraw/zinc/63/19/36/599631936.db2.gz WDAUHWFGRXLXLU-UHFFFAOYSA-N -1 3 391.353 3.465 20 0 GGADHM COc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821790896 599631937 /nfs/dbraw/zinc/63/19/37/599631937.db2.gz WDAUHWFGRXLXLU-UHFFFAOYSA-N -1 3 391.353 3.465 20 0 GGADHM COc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821862379 599632754 /nfs/dbraw/zinc/63/27/54/599632754.db2.gz AEOIYKUCKRCDNB-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM COc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821862379 599632755 /nfs/dbraw/zinc/63/27/55/599632755.db2.gz AEOIYKUCKRCDNB-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM CC(C)(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000819958813 599633318 /nfs/dbraw/zinc/63/33/18/599633318.db2.gz QRZHWWQSGDZTLJ-UHFFFAOYSA-N -1 3 380.330 3.423 20 0 GGADHM CC(C)(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000819958813 599633319 /nfs/dbraw/zinc/63/33/19/599633319.db2.gz QRZHWWQSGDZTLJ-UHFFFAOYSA-N -1 3 380.330 3.423 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820703584 599633838 /nfs/dbraw/zinc/63/38/38/599633838.db2.gz IBDYGMGEDOXUMO-HZMBPMFUSA-N -1 3 383.374 3.419 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820703584 599633839 /nfs/dbraw/zinc/63/38/39/599633839.db2.gz IBDYGMGEDOXUMO-HZMBPMFUSA-N -1 3 383.374 3.419 20 0 GGADHM O=C(COc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823040286 599633886 /nfs/dbraw/zinc/63/38/86/599633886.db2.gz GYIZQZMCCGUHDU-UHFFFAOYSA-N -1 3 399.279 3.181 20 0 GGADHM O=C(COc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823040286 599633887 /nfs/dbraw/zinc/63/38/87/599633887.db2.gz GYIZQZMCCGUHDU-UHFFFAOYSA-N -1 3 399.279 3.181 20 0 GGADHM O=C(Cn1ccc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823122618 599634089 /nfs/dbraw/zinc/63/40/89/599634089.db2.gz FPOYQQRUBBVXKL-UHFFFAOYSA-N -1 3 386.337 3.479 20 0 GGADHM O=C(Cn1ccc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823122618 599634090 /nfs/dbraw/zinc/63/40/90/599634090.db2.gz FPOYQQRUBBVXKL-UHFFFAOYSA-N -1 3 386.337 3.479 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cc(F)cc1F ZINC000823060902 599634781 /nfs/dbraw/zinc/63/47/81/599634781.db2.gz NSSWPEFOIZTRPH-UHFFFAOYSA-N -1 3 379.367 3.156 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cc(F)cc1F ZINC000823060902 599634782 /nfs/dbraw/zinc/63/47/82/599634782.db2.gz NSSWPEFOIZTRPH-UHFFFAOYSA-N -1 3 379.367 3.156 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000826252457 607386421 /nfs/dbraw/zinc/38/64/21/607386421.db2.gz DHUONOFNEYJYTF-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000826252457 607386423 /nfs/dbraw/zinc/38/64/23/607386423.db2.gz DHUONOFNEYJYTF-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM CC[C@](C)(NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1nc(C)cs1 ZINC000820853304 599645408 /nfs/dbraw/zinc/64/54/08/599645408.db2.gz LCMJLCKQTPMQAT-SFHVURJKSA-N -1 3 396.480 3.097 20 0 GGADHM CC[C@](C)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1nc(C)cs1 ZINC000820853304 599645409 /nfs/dbraw/zinc/64/54/09/599645409.db2.gz LCMJLCKQTPMQAT-SFHVURJKSA-N -1 3 396.480 3.097 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2CC(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233612 599645761 /nfs/dbraw/zinc/64/57/61/599645761.db2.gz RWLNTHABXAUZAQ-SUMWQHHRSA-N -1 3 380.452 3.180 20 0 GGADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820498194 599647854 /nfs/dbraw/zinc/64/78/54/599647854.db2.gz ZHUAMCXVVHLWRM-AWEZNQCLSA-N -1 3 394.431 3.184 20 0 GGADHM CC(C)CCc1nc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820081720 599647928 /nfs/dbraw/zinc/64/79/28/599647928.db2.gz SEEHHTGULGQEKH-UHFFFAOYSA-N -1 3 387.465 3.034 20 0 GGADHM CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1(C)C ZINC000820005158 599650016 /nfs/dbraw/zinc/65/00/16/599650016.db2.gz KVAZCGUEVMFGSO-ZBFHGGJFSA-N -1 3 394.435 3.198 20 0 GGADHM CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1(C)C ZINC000820005158 599650017 /nfs/dbraw/zinc/65/00/17/599650017.db2.gz KVAZCGUEVMFGSO-ZBFHGGJFSA-N -1 3 394.435 3.198 20 0 GGADHM CO[C@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C ZINC000821676895 599654543 /nfs/dbraw/zinc/65/45/43/599654543.db2.gz JPZYSAAIMPMXHP-GOSISDBHSA-N -1 3 394.479 3.401 20 0 GGADHM C[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)CC(C)(C)C ZINC000820225245 599657810 /nfs/dbraw/zinc/65/78/10/599657810.db2.gz DZWSMKMSNPQWRF-LBPRGKRZSA-N -1 3 384.440 3.422 20 0 GGADHM C[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)CC(C)(C)C ZINC000820225245 599657811 /nfs/dbraw/zinc/65/78/11/599657811.db2.gz DZWSMKMSNPQWRF-LBPRGKRZSA-N -1 3 384.440 3.422 20 0 GGADHM CCCc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821138495 599658696 /nfs/dbraw/zinc/65/86/96/599658696.db2.gz ANTZRRNGZPNETE-UHFFFAOYSA-N -1 3 390.403 3.226 20 0 GGADHM CCCc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821138495 599658697 /nfs/dbraw/zinc/65/86/97/599658697.db2.gz ANTZRRNGZPNETE-UHFFFAOYSA-N -1 3 390.403 3.226 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820697393 599658741 /nfs/dbraw/zinc/65/87/41/599658741.db2.gz GSFBXDSMTFMZHM-CHWSQXEVSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820697393 599658742 /nfs/dbraw/zinc/65/87/42/599658742.db2.gz GSFBXDSMTFMZHM-CHWSQXEVSA-N -1 3 382.424 3.176 20 0 GGADHM Cc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000822395072 599660264 /nfs/dbraw/zinc/66/02/64/599660264.db2.gz RAEITQLFDWPQCI-UHFFFAOYSA-N -1 3 377.360 3.312 20 0 GGADHM Cc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000822395072 599660265 /nfs/dbraw/zinc/66/02/65/599660265.db2.gz RAEITQLFDWPQCI-UHFFFAOYSA-N -1 3 377.360 3.312 20 0 GGADHM Cc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000822227349 599660301 /nfs/dbraw/zinc/66/03/01/599660301.db2.gz FVLJVVGVACOLLT-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000822227349 599660302 /nfs/dbraw/zinc/66/03/02/599660302.db2.gz FVLJVVGVACOLLT-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820901313 599661364 /nfs/dbraw/zinc/66/13/64/599661364.db2.gz AWMLPTKSWKKWQT-DZGCQCFKSA-N -1 3 385.468 3.343 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820901313 599661365 /nfs/dbraw/zinc/66/13/65/599661365.db2.gz AWMLPTKSWKKWQT-DZGCQCFKSA-N -1 3 385.468 3.343 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820232117 599661517 /nfs/dbraw/zinc/66/15/17/599661517.db2.gz DKYGLUUYPNCKFG-LBPRGKRZSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820232117 599661518 /nfs/dbraw/zinc/66/15/18/599661518.db2.gz DKYGLUUYPNCKFG-LBPRGKRZSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@H](OC(=O)C(C)(C)Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820481696 599662092 /nfs/dbraw/zinc/66/20/92/599662092.db2.gz YKYOHXMNVAVTDY-AWEZNQCLSA-N -1 3 393.447 3.006 20 0 GGADHM C[C@H](OC(=O)C(C)(C)Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820481696 599662093 /nfs/dbraw/zinc/66/20/93/599662093.db2.gz YKYOHXMNVAVTDY-AWEZNQCLSA-N -1 3 393.447 3.006 20 0 GGADHM Cc1ccc(-c2nc(CNC(=S)Nc3ccccc3-c3nnn[n-]3)co2)cc1 ZINC000822214136 599664168 /nfs/dbraw/zinc/66/41/68/599664168.db2.gz QPKBULUBEAEUPW-UHFFFAOYSA-N -1 3 391.460 3.317 20 0 GGADHM Cc1ccc(-c2nc(CNC(=S)Nc3ccccc3-c3nn[n-]n3)co2)cc1 ZINC000822214136 599664169 /nfs/dbraw/zinc/66/41/69/599664169.db2.gz QPKBULUBEAEUPW-UHFFFAOYSA-N -1 3 391.460 3.317 20 0 GGADHM C[C@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820481722 599665036 /nfs/dbraw/zinc/66/50/36/599665036.db2.gz ZCQSPXRQKFOWPU-RYUDHWBXSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820481722 599665037 /nfs/dbraw/zinc/66/50/37/599665037.db2.gz ZCQSPXRQKFOWPU-RYUDHWBXSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820481715 599665192 /nfs/dbraw/zinc/66/51/92/599665192.db2.gz ZBGZEIPPWQQAOX-NWDGAFQWSA-N -1 3 399.838 3.194 20 0 GGADHM C[C@@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820481715 599665193 /nfs/dbraw/zinc/66/51/93/599665193.db2.gz ZBGZEIPPWQQAOX-NWDGAFQWSA-N -1 3 399.838 3.194 20 0 GGADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823410208 599665749 /nfs/dbraw/zinc/66/57/49/599665749.db2.gz RRTBAUDBRQWSFC-UHFFFAOYSA-N -1 3 393.378 3.237 20 0 GGADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000823410208 599665750 /nfs/dbraw/zinc/66/57/50/599665750.db2.gz RRTBAUDBRQWSFC-UHFFFAOYSA-N -1 3 393.378 3.237 20 0 GGADHM CCO[C@H](C)c1ncc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)s1 ZINC000821347202 599667223 /nfs/dbraw/zinc/66/72/23/599667223.db2.gz STMZLAJOXODAPX-LLVKDONJSA-N -1 3 398.448 3.030 20 0 GGADHM CCO[C@H](C)c1ncc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)s1 ZINC000821347202 599667224 /nfs/dbraw/zinc/66/72/24/599667224.db2.gz STMZLAJOXODAPX-LLVKDONJSA-N -1 3 398.448 3.030 20 0 GGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822233278 599668444 /nfs/dbraw/zinc/66/84/44/599668444.db2.gz LPUYXXAMSQQXOI-CXAGYDPISA-N -1 3 380.452 3.451 20 0 GGADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233278 599668445 /nfs/dbraw/zinc/66/84/45/599668445.db2.gz LPUYXXAMSQQXOI-CXAGYDPISA-N -1 3 380.452 3.451 20 0 GGADHM CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820486366 599669015 /nfs/dbraw/zinc/66/90/15/599669015.db2.gz ARGKBUWDSJBDAO-KBXCAEBGSA-N -1 3 393.447 3.177 20 0 GGADHM CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820486366 599669016 /nfs/dbraw/zinc/66/90/16/599669016.db2.gz ARGKBUWDSJBDAO-KBXCAEBGSA-N -1 3 393.447 3.177 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000823032106 599671093 /nfs/dbraw/zinc/67/10/93/599671093.db2.gz NAGNIWIAOBYLNF-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000823032106 599671094 /nfs/dbraw/zinc/67/10/94/599671094.db2.gz NAGNIWIAOBYLNF-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM C[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820743069 599674018 /nfs/dbraw/zinc/67/40/18/599674018.db2.gz QALFSMNLUSNLMF-KDOFPFPSSA-N -1 3 394.454 3.341 20 0 GGADHM C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820743069 599674019 /nfs/dbraw/zinc/67/40/19/599674019.db2.gz QALFSMNLUSNLMF-KDOFPFPSSA-N -1 3 394.454 3.341 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC[C@H]1Cc1ccccc1 ZINC000823233691 599679211 /nfs/dbraw/zinc/67/92/11/599679211.db2.gz HPEMMHQIEKESKF-SFHVURJKSA-N -1 3 394.454 3.313 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC[C@H]1Cc1ccccc1 ZINC000823233691 599679212 /nfs/dbraw/zinc/67/92/12/599679212.db2.gz HPEMMHQIEKESKF-SFHVURJKSA-N -1 3 394.454 3.313 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000822410132 599681569 /nfs/dbraw/zinc/68/15/69/599681569.db2.gz XKDPNDCXSKUYAO-CZUORRHYSA-N -1 3 397.508 3.282 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000822410132 599681570 /nfs/dbraw/zinc/68/15/70/599681570.db2.gz XKDPNDCXSKUYAO-CZUORRHYSA-N -1 3 397.508 3.282 20 0 GGADHM O=C(OC[C@H]1CCCS1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823396996 599685148 /nfs/dbraw/zinc/68/51/48/599685148.db2.gz QHBKKNNLKWSNEV-OAHLLOKOSA-N -1 3 386.433 3.091 20 0 GGADHM O=C(OC[C@H]1CCCS1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823401070 599685166 /nfs/dbraw/zinc/68/51/66/599685166.db2.gz OIXVTXNBBINNBP-QGZVFWFLSA-N -1 3 396.472 3.498 20 0 GGADHM O=C(OC[C@H]1CCCS1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823401070 599685167 /nfs/dbraw/zinc/68/51/67/599685167.db2.gz OIXVTXNBBINNBP-QGZVFWFLSA-N -1 3 396.472 3.498 20 0 GGADHM Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(I)c1 ZINC000822262962 599690013 /nfs/dbraw/zinc/69/00/13/599690013.db2.gz HCIBYNDIRICXRJ-UHFFFAOYSA-N -1 3 392.200 3.359 20 0 GGADHM Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(I)c1 ZINC000822262962 599690014 /nfs/dbraw/zinc/69/00/14/599690014.db2.gz HCIBYNDIRICXRJ-UHFFFAOYSA-N -1 3 392.200 3.359 20 0 GGADHM CCN(C(=O)c1cc(-c2ccccn2)no1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154342 599692173 /nfs/dbraw/zinc/69/21/73/599692173.db2.gz MFBLOXORNUTLFK-CYBMUJFWSA-N -1 3 389.419 3.140 20 0 GGADHM CCN(C(=O)c1cc(-c2ccccn2)no1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154342 599692174 /nfs/dbraw/zinc/69/21/74/599692174.db2.gz MFBLOXORNUTLFK-CYBMUJFWSA-N -1 3 389.419 3.140 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823488426 599692592 /nfs/dbraw/zinc/69/25/92/599692592.db2.gz MJSFDWOPZBGUQL-UHFFFAOYSA-N -1 3 385.427 3.061 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823488426 599692593 /nfs/dbraw/zinc/69/25/93/599692593.db2.gz MJSFDWOPZBGUQL-UHFFFAOYSA-N -1 3 385.427 3.061 20 0 GGADHM CO[C@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000821676899 599693685 /nfs/dbraw/zinc/69/36/85/599693685.db2.gz JSGKRLWRRWHIIW-GOSISDBHSA-N -1 3 396.451 3.452 20 0 GGADHM CO[C@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000821676899 599693686 /nfs/dbraw/zinc/69/36/86/599693686.db2.gz JSGKRLWRRWHIIW-GOSISDBHSA-N -1 3 396.451 3.452 20 0 GGADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1 ZINC000820220796 599696271 /nfs/dbraw/zinc/69/62/71/599696271.db2.gz XXOFTEJDIUPDDY-CHWSQXEVSA-N -1 3 381.411 3.092 20 0 GGADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1 ZINC000820220796 599696272 /nfs/dbraw/zinc/69/62/72/599696272.db2.gz XXOFTEJDIUPDDY-CHWSQXEVSA-N -1 3 381.411 3.092 20 0 GGADHM Cc1nc(C)c(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000822427376 599699982 /nfs/dbraw/zinc/69/99/82/599699982.db2.gz LKGHMQBDSCCKCB-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM Cc1nc(C)c(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000822427376 599699983 /nfs/dbraw/zinc/69/99/83/599699983.db2.gz LKGHMQBDSCCKCB-UHFFFAOYSA-N -1 3 390.403 3.303 20 0 GGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820656669 607387362 /nfs/dbraw/zinc/38/73/62/607387362.db2.gz GTPCHGGAZYWBJT-NWDGAFQWSA-N -1 3 392.891 3.402 20 0 GGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820656669 607387364 /nfs/dbraw/zinc/38/73/64/607387364.db2.gz GTPCHGGAZYWBJT-NWDGAFQWSA-N -1 3 392.891 3.402 20 0 GGADHM CCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000590437726 599702526 /nfs/dbraw/zinc/70/25/26/599702526.db2.gz IZTZGVKQLDJQGM-LJQANCHMSA-N -1 3 381.476 3.297 20 0 GGADHM Cc1[nH]c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738159526 599704270 /nfs/dbraw/zinc/70/42/70/599704270.db2.gz LTISCCOCYWUXTD-UHFFFAOYSA-N -1 3 383.492 3.110 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1nc(-c2ccccc2)no1 ZINC000826251086 607388623 /nfs/dbraw/zinc/38/86/23/607388623.db2.gz DWMVPYCOEPOCGU-GFCCVEGCSA-N -1 3 376.376 3.143 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1nc(-c2ccccc2)no1 ZINC000826251086 607388626 /nfs/dbraw/zinc/38/86/26/607388626.db2.gz DWMVPYCOEPOCGU-GFCCVEGCSA-N -1 3 376.376 3.143 20 0 GGADHM O=C([O-])Nc1cc(NC(=O)NCC2(N3CCSCC3)CCCC2)ccc1F ZINC000740008882 599717870 /nfs/dbraw/zinc/71/78/70/599717870.db2.gz SBEJJPLVNMBYPW-UHFFFAOYSA-N -1 3 396.488 3.399 20 0 GGADHM O=C([O-])COc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000659754398 599741634 /nfs/dbraw/zinc/74/16/34/599741634.db2.gz PCAJJYPTFUKVBQ-FQEVSTJZSA-N -1 3 382.460 3.107 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826316383 607391446 /nfs/dbraw/zinc/39/14/46/607391446.db2.gz MJQXSZQNSUMKRF-ZIAGYGMSSA-N -1 3 379.445 3.336 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826316383 607391448 /nfs/dbraw/zinc/39/14/48/607391448.db2.gz MJQXSZQNSUMKRF-ZIAGYGMSSA-N -1 3 379.445 3.336 20 0 GGADHM COc1c(Cl)cccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826166998 607392619 /nfs/dbraw/zinc/39/26/19/607392619.db2.gz LKCDJGJLUHUYIQ-UHFFFAOYSA-N -1 3 384.827 3.340 20 0 GGADHM COc1c(Cl)cccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826166998 607392621 /nfs/dbraw/zinc/39/26/21/607392621.db2.gz LKCDJGJLUHUYIQ-UHFFFAOYSA-N -1 3 384.827 3.340 20 0 GGADHM Cc1cc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc(C)c1OCC(=O)[O-] ZINC000738387150 599776461 /nfs/dbraw/zinc/77/64/61/599776461.db2.gz CRUUVGRNACGQIL-IBGZPJMESA-N -1 3 397.393 3.307 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](c2ccccc2)C2CCC2)cc(C(=O)[O-])c1 ZINC000737667359 599793179 /nfs/dbraw/zinc/79/31/79/599793179.db2.gz QDICEUWQFNDEKM-HXUWFJFHSA-N -1 3 396.443 3.241 20 0 GGADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000740161852 599793748 /nfs/dbraw/zinc/79/37/48/599793748.db2.gz TWEIPBCCGOXVIC-QGZVFWFLSA-N -1 3 391.414 3.282 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1-c1nnn[n-]1 ZINC000820169628 607398926 /nfs/dbraw/zinc/39/89/26/607398926.db2.gz LAHQUZZRVBKSAQ-UHFFFAOYSA-N -1 3 385.449 3.040 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1-c1nn[n-]n1 ZINC000820169628 607398928 /nfs/dbraw/zinc/39/89/28/607398928.db2.gz LAHQUZZRVBKSAQ-UHFFFAOYSA-N -1 3 385.449 3.040 20 0 GGADHM CCOc1ccccc1OCC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821437116 607399178 /nfs/dbraw/zinc/39/91/78/607399178.db2.gz JDOMFUZGIJWOMN-UHFFFAOYSA-N -1 3 397.435 3.070 20 0 GGADHM CCOc1ccccc1OCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821437116 607399179 /nfs/dbraw/zinc/39/91/79/607399179.db2.gz JDOMFUZGIJWOMN-UHFFFAOYSA-N -1 3 397.435 3.070 20 0 GGADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821858022 607399532 /nfs/dbraw/zinc/39/95/32/607399532.db2.gz CIECOHGKTRYNAG-CYBMUJFWSA-N -1 3 381.436 3.405 20 0 GGADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821858022 607399534 /nfs/dbraw/zinc/39/95/34/607399534.db2.gz CIECOHGKTRYNAG-CYBMUJFWSA-N -1 3 381.436 3.405 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2)CC1 ZINC000736473803 599843408 /nfs/dbraw/zinc/84/34/08/599843408.db2.gz IVZWPSQIIUTWLH-UHFFFAOYSA-N -1 3 385.439 3.307 20 0 GGADHM COc1ccc([C@@H](NCc2cccc(C(=O)N3CCCCC3)c2)C(=O)[O-])cc1 ZINC000737969154 599858882 /nfs/dbraw/zinc/85/88/82/599858882.db2.gz ITVUQSOONVXGKM-HXUWFJFHSA-N -1 3 382.460 3.237 20 0 GGADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000738928952 599860048 /nfs/dbraw/zinc/86/00/48/599860048.db2.gz VZVMVTJDSQASMI-INIZCTEOSA-N -1 3 376.888 3.434 20 0 GGADHM O=C([O-])N1CCC[C@@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000739927766 599860712 /nfs/dbraw/zinc/86/07/12/599860712.db2.gz RJIUUAYQZCIDRT-LLVKDONJSA-N -1 3 379.201 3.283 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826231094 607402275 /nfs/dbraw/zinc/40/22/75/607402275.db2.gz XBJUBRYWNLIEQW-CYBMUJFWSA-N -1 3 384.461 3.408 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826231094 607402276 /nfs/dbraw/zinc/40/22/76/607402276.db2.gz XBJUBRYWNLIEQW-CYBMUJFWSA-N -1 3 384.461 3.408 20 0 GGADHM COc1ccc([C@H](NCc2cc(=O)oc3cc4c(cc23)CCC4)C(=O)[O-])cc1 ZINC000737972323 599862627 /nfs/dbraw/zinc/86/26/27/599862627.db2.gz NQUFHQLOBJBDCG-NRFANRHFSA-N -1 3 379.412 3.206 20 0 GGADHM Cc1ccc(F)c(OCC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822241159 607402480 /nfs/dbraw/zinc/40/24/80/607402480.db2.gz MSNMDXHEKFQRFS-UHFFFAOYSA-N -1 3 385.399 3.119 20 0 GGADHM Cc1ccc(F)c(OCC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822241159 607402482 /nfs/dbraw/zinc/40/24/82/607402482.db2.gz MSNMDXHEKFQRFS-UHFFFAOYSA-N -1 3 385.399 3.119 20 0 GGADHM COc1cc(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1C ZINC000821711739 607402574 /nfs/dbraw/zinc/40/25/74/607402574.db2.gz AAKCBTGFFMGJQS-UHFFFAOYSA-N -1 3 381.436 3.152 20 0 GGADHM COc1cc(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1C ZINC000821711739 607402575 /nfs/dbraw/zinc/40/25/75/607402575.db2.gz AAKCBTGFFMGJQS-UHFFFAOYSA-N -1 3 381.436 3.152 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1c(F)cccc1-n1cccn1 ZINC000826251688 607402668 /nfs/dbraw/zinc/40/26/68/607402668.db2.gz XSLUEQVIPWSZIT-CYBMUJFWSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1c(F)cccc1-n1cccn1 ZINC000826251688 607402670 /nfs/dbraw/zinc/40/26/70/607402670.db2.gz XSLUEQVIPWSZIT-CYBMUJFWSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cn(C)c2ccccc12 ZINC000826252971 607403771 /nfs/dbraw/zinc/40/37/71/607403771.db2.gz AWOQVVMRTYJFLP-UHFFFAOYSA-N -1 3 375.432 3.343 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cn(C)c2ccccc12 ZINC000826252971 607403774 /nfs/dbraw/zinc/40/37/74/607403774.db2.gz AWOQVVMRTYJFLP-UHFFFAOYSA-N -1 3 375.432 3.343 20 0 GGADHM O=C([O-])c1coc(COC(=O)C2CCN(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000740268404 599884250 /nfs/dbraw/zinc/88/42/50/599884250.db2.gz SXWZEYAMTVYJFI-GFCCVEGCSA-N -1 3 398.198 3.381 20 0 GGADHM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822329126 607405527 /nfs/dbraw/zinc/40/55/27/607405527.db2.gz YVAGLZBTBALDLU-HOTGVXAUSA-N -1 3 383.477 3.357 20 0 GGADHM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822329126 607405528 /nfs/dbraw/zinc/40/55/28/607405528.db2.gz YVAGLZBTBALDLU-HOTGVXAUSA-N -1 3 383.477 3.357 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1(Cc2ccccc2)CC1 ZINC000823065902 607405607 /nfs/dbraw/zinc/40/56/07/607405607.db2.gz DTMNHEKNKIUXNH-UHFFFAOYSA-N -1 3 379.489 3.098 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1(Cc2ccccc2)CC1 ZINC000823065902 607405609 /nfs/dbraw/zinc/40/56/09/607405609.db2.gz DTMNHEKNKIUXNH-UHFFFAOYSA-N -1 3 379.489 3.098 20 0 GGADHM CN(C(=O)Nc1cccc(NC(=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000737328427 599904862 /nfs/dbraw/zinc/90/48/62/599904862.db2.gz HUVHZPJBYKHYMO-UHFFFAOYSA-N -1 3 397.479 3.342 20 0 GGADHM C=CC(=O)Nc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000819729542 607406071 /nfs/dbraw/zinc/40/60/71/607406071.db2.gz IUEUFDUJQOZDNI-UHFFFAOYSA-N -1 3 392.419 3.031 20 0 GGADHM C=CC(=O)Nc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000819729542 607406072 /nfs/dbraw/zinc/40/60/72/607406072.db2.gz IUEUFDUJQOZDNI-UHFFFAOYSA-N -1 3 392.419 3.031 20 0 GGADHM CC(=O)c1ccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000819834194 607406545 /nfs/dbraw/zinc/40/65/45/607406545.db2.gz NXIODHSXRGUEKG-UHFFFAOYSA-N -1 3 379.420 3.038 20 0 GGADHM CC(=O)c1ccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000819834194 607406547 /nfs/dbraw/zinc/40/65/47/607406547.db2.gz NXIODHSXRGUEKG-UHFFFAOYSA-N -1 3 379.420 3.038 20 0 GGADHM CC(C)Oc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cn1 ZINC000820155356 607406558 /nfs/dbraw/zinc/40/65/58/607406558.db2.gz OWPZRVJZPVASBC-UHFFFAOYSA-N -1 3 382.424 3.088 20 0 GGADHM CC(C)Oc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cn1 ZINC000820155356 607406560 /nfs/dbraw/zinc/40/65/60/607406560.db2.gz OWPZRVJZPVASBC-UHFFFAOYSA-N -1 3 382.424 3.088 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000826254499 607408465 /nfs/dbraw/zinc/40/84/65/607408465.db2.gz OSUXGZPLZMSECP-ACJLOTCBSA-N -1 3 391.431 3.127 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000826254499 607408466 /nfs/dbraw/zinc/40/84/66/607408466.db2.gz OSUXGZPLZMSECP-ACJLOTCBSA-N -1 3 391.431 3.127 20 0 GGADHM C[C@H](CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579238 599950007 /nfs/dbraw/zinc/95/00/07/599950007.db2.gz RWGNMSWXNDQEGB-BFUOFWGJSA-N -1 3 390.480 3.278 20 0 GGADHM Cc1ccc([C@H](NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570307 599951658 /nfs/dbraw/zinc/95/16/58/599951658.db2.gz YYFNBSKFUDFDEY-QRWLVFNGSA-N -1 3 386.517 3.447 20 0 GGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCCN(c2cccnn2)CC1 ZINC000738715229 599957255 /nfs/dbraw/zinc/95/72/55/599957255.db2.gz VJFBXBYLPIBCOH-UHFFFAOYSA-N -1 3 386.452 3.241 20 0 GGADHM COCc1c2ccccc2oc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821695181 607409947 /nfs/dbraw/zinc/40/99/47/607409947.db2.gz MVZRBABGNQBVIJ-UHFFFAOYSA-N -1 3 394.387 3.125 20 0 GGADHM COCc1c2ccccc2oc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821695181 607409948 /nfs/dbraw/zinc/40/99/48/607409948.db2.gz MVZRBABGNQBVIJ-UHFFFAOYSA-N -1 3 394.387 3.125 20 0 GGADHM Cc1ccc(C)c(OCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826285114 607415954 /nfs/dbraw/zinc/41/59/54/607415954.db2.gz PQNHPGQYVDXMQO-UHFFFAOYSA-N -1 3 377.448 3.058 20 0 GGADHM Cc1ccc(C)c(OCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826285114 607415955 /nfs/dbraw/zinc/41/59/55/607415955.db2.gz PQNHPGQYVDXMQO-UHFFFAOYSA-N -1 3 377.448 3.058 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCOc1cccc(C)c1C ZINC000821741381 607411692 /nfs/dbraw/zinc/41/16/92/607411692.db2.gz LPIJUYATMYTPHV-UHFFFAOYSA-N -1 3 382.420 3.004 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCOc1cccc(C)c1C ZINC000821741381 607411693 /nfs/dbraw/zinc/41/16/93/607411693.db2.gz LPIJUYATMYTPHV-UHFFFAOYSA-N -1 3 382.420 3.004 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C2 ZINC000740204343 600016616 /nfs/dbraw/zinc/01/66/16/600016616.db2.gz SWGFPVCLTPHXGV-HXUWFJFHSA-N -1 3 379.460 3.247 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722299 600018976 /nfs/dbraw/zinc/01/89/76/600018976.db2.gz BUNXSLXPJYJLCQ-MGPUTAFESA-N -1 3 379.460 3.246 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)SCc1ccccc1 ZINC000821737550 607413521 /nfs/dbraw/zinc/41/35/21/607413521.db2.gz XSDVHNUUVAYENR-CYBMUJFWSA-N -1 3 384.461 3.240 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)SCc1ccccc1 ZINC000821737550 607413522 /nfs/dbraw/zinc/41/35/22/607413522.db2.gz XSDVHNUUVAYENR-CYBMUJFWSA-N -1 3 384.461 3.240 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000737358473 600020922 /nfs/dbraw/zinc/02/09/22/600020922.db2.gz NBXUSILJJFALJA-SFHVURJKSA-N -1 3 387.505 3.429 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000737994390 600024350 /nfs/dbraw/zinc/02/43/50/600024350.db2.gz GNMJDHPQVPBJOX-SFHVURJKSA-N -1 3 399.491 3.130 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000737994387 600024480 /nfs/dbraw/zinc/02/44/80/600024480.db2.gz GNMJDHPQVPBJOX-GOSISDBHSA-N -1 3 399.491 3.130 20 0 GGADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670995 600036049 /nfs/dbraw/zinc/03/60/49/600036049.db2.gz PEKUNUSJTGUSRG-PZJWPPBQSA-N -1 3 378.472 3.460 20 0 GGADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670989 600036258 /nfs/dbraw/zinc/03/62/58/600036258.db2.gz PEKUNUSJTGUSRG-CTNGQTDRSA-N -1 3 378.472 3.460 20 0 GGADHM CC[C@H](C)N(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000736883900 600036807 /nfs/dbraw/zinc/03/68/07/600036807.db2.gz PMEUEBGPZUDYTG-UWJYYQICSA-N -1 3 380.488 3.325 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000736388734 600048138 /nfs/dbraw/zinc/04/81/38/600048138.db2.gz DJYJVJZDBZNHCJ-HXUWFJFHSA-N -1 3 384.432 3.081 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000738533256 600049135 /nfs/dbraw/zinc/04/91/35/600049135.db2.gz RRBKGVYJUQCNFD-OAQYLSRUSA-N -1 3 398.459 3.390 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826230888 607416194 /nfs/dbraw/zinc/41/61/94/607416194.db2.gz NVSXZJILWKLDLM-CYBMUJFWSA-N -1 3 395.488 3.161 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826230888 607416196 /nfs/dbraw/zinc/41/61/96/607416196.db2.gz NVSXZJILWKLDLM-CYBMUJFWSA-N -1 3 395.488 3.161 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000821736072 607417617 /nfs/dbraw/zinc/41/76/17/607417617.db2.gz AADSHLNBDYDJET-ZIAGYGMSSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000821736072 607417619 /nfs/dbraw/zinc/41/76/19/607417619.db2.gz AADSHLNBDYDJET-ZIAGYGMSSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)CCOc1ccccc1 ZINC000821736729 607417683 /nfs/dbraw/zinc/41/76/83/607417683.db2.gz NCHOGGWAMWEJJV-AWEZNQCLSA-N -1 3 382.420 3.024 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)CCOc1ccccc1 ZINC000821736729 607417685 /nfs/dbraw/zinc/41/76/85/607417685.db2.gz NCHOGGWAMWEJJV-AWEZNQCLSA-N -1 3 382.420 3.024 20 0 GGADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000738956601 600077513 /nfs/dbraw/zinc/07/75/13/600077513.db2.gz CDUNDUMRGNCFLP-AWEZNQCLSA-N -1 3 389.427 3.459 20 0 GGADHM Cc1cc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000738382441 600077861 /nfs/dbraw/zinc/07/78/61/600077861.db2.gz IBLKFKHTIMUZHK-CQSZACIVSA-N -1 3 389.427 3.459 20 0 GGADHM C[C@@](NCc1ccc2c(c1)OCCO2)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665662 600079003 /nfs/dbraw/zinc/07/90/03/600079003.db2.gz XKGJCRRRODKRGO-SFHVURJKSA-N -1 3 392.249 3.310 20 0 GGADHM O=C(CSc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826420802 607418187 /nfs/dbraw/zinc/41/81/87/607418187.db2.gz CXGMRUQJIDLXRZ-UHFFFAOYSA-N -1 3 385.880 3.418 20 0 GGADHM O=C(CSc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826420802 607418188 /nfs/dbraw/zinc/41/81/88/607418188.db2.gz CXGMRUQJIDLXRZ-UHFFFAOYSA-N -1 3 385.880 3.418 20 0 GGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000740077697 600091549 /nfs/dbraw/zinc/09/15/49/600091549.db2.gz GPKGBBOLSWXJCF-UHFFFAOYSA-N -1 3 390.480 3.156 20 0 GGADHM Cc1ccnc(NC[C@H]2CCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)c1 ZINC000738797500 600094693 /nfs/dbraw/zinc/09/46/93/600094693.db2.gz ASBACQYTBHPHRS-DLBZAZTESA-N -1 3 396.491 3.158 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824754720 607418949 /nfs/dbraw/zinc/41/89/49/607418949.db2.gz JRTOCNVDCIJCGL-GFCCVEGCSA-N -1 3 383.839 3.093 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824754720 607418951 /nfs/dbraw/zinc/41/89/51/607418951.db2.gz JRTOCNVDCIJCGL-GFCCVEGCSA-N -1 3 383.839 3.093 20 0 GGADHM Cc1cccc(NC[C@H]2CCN([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738736892 600094933 /nfs/dbraw/zinc/09/49/33/600094933.db2.gz YWDQLLPOCMJCFD-IAGOWNOFSA-N -1 3 396.491 3.158 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H](CNc3cc(C)ccn3)C2)c(C)c1C(=O)[O-] ZINC000738798949 600095908 /nfs/dbraw/zinc/09/59/08/600095908.db2.gz VWYJCQWGEYAVGE-HZPDHXFCSA-N -1 3 384.480 3.038 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821736980 607419652 /nfs/dbraw/zinc/41/96/52/607419652.db2.gz PSHYXWSQULSXPP-VIFPVBQESA-N -1 3 378.841 3.437 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821736980 607419654 /nfs/dbraw/zinc/41/96/54/607419654.db2.gz PSHYXWSQULSXPP-VIFPVBQESA-N -1 3 378.841 3.437 20 0 GGADHM COc1cccc([C@H](C)CC(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821859420 607420441 /nfs/dbraw/zinc/42/04/41/607420441.db2.gz OEXGRTNNZCFLRO-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM COc1cccc([C@H](C)CC(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821859420 607420442 /nfs/dbraw/zinc/42/04/42/607420442.db2.gz OEXGRTNNZCFLRO-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC000737668981 600117257 /nfs/dbraw/zinc/11/72/57/600117257.db2.gz ZHLCSBLKBSBDLX-LJQANCHMSA-N -1 3 384.432 3.097 20 0 GGADHM CC(C)[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000736390962 600119168 /nfs/dbraw/zinc/11/91/68/600119168.db2.gz XXMOUSSAVSGZSZ-PZJWPPBQSA-N -1 3 384.451 3.151 20 0 GGADHM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821961524 607426785 /nfs/dbraw/zinc/42/67/85/607426785.db2.gz KATZULSLFLWFEJ-GFCCVEGCSA-N -1 3 378.502 3.259 20 0 GGADHM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821961524 607426786 /nfs/dbraw/zinc/42/67/86/607426786.db2.gz KATZULSLFLWFEJ-GFCCVEGCSA-N -1 3 378.502 3.259 20 0 GGADHM CCCN(C)c1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825307531 607422508 /nfs/dbraw/zinc/42/25/08/607422508.db2.gz CVVUTOPYCDOBAF-UHFFFAOYSA-N -1 3 376.464 3.132 20 0 GGADHM CCCN(C)c1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825307531 607422510 /nfs/dbraw/zinc/42/25/10/607422510.db2.gz CVVUTOPYCDOBAF-UHFFFAOYSA-N -1 3 376.464 3.132 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2ccc(Cl)cc2n1 ZINC000826428283 607422982 /nfs/dbraw/zinc/42/29/82/607422982.db2.gz VZUFNCLQWJQPKY-UHFFFAOYSA-N -1 3 390.834 3.487 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2ccc(Cl)cc2n1 ZINC000826428283 607422983 /nfs/dbraw/zinc/42/29/83/607422983.db2.gz VZUFNCLQWJQPKY-UHFFFAOYSA-N -1 3 390.834 3.487 20 0 GGADHM C[C@H](CN(C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571102 600143721 /nfs/dbraw/zinc/14/37/21/600143721.db2.gz IGNORIHGGZEMBG-IERDGZPVSA-N -1 3 393.487 3.457 20 0 GGADHM Cc1cc(CNCc2cccc(N3CCOC3=O)c2)cc(C)c1OCC(=O)[O-] ZINC000738393749 600156402 /nfs/dbraw/zinc/15/64/02/600156402.db2.gz YCRDZMKTLBMQHX-UHFFFAOYSA-N -1 3 384.432 3.013 20 0 GGADHM COc1ccc([C@H](C)CC(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821777611 607420922 /nfs/dbraw/zinc/42/09/22/607420922.db2.gz JKIIXMDPRHZFGZ-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM COc1ccc([C@H](C)CC(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821777611 607420923 /nfs/dbraw/zinc/42/09/23/607420923.db2.gz JKIIXMDPRHZFGZ-CYBMUJFWSA-N -1 3 382.420 3.121 20 0 GGADHM CCc1cccc2c(CC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c[nH]c21 ZINC000825722904 607426877 /nfs/dbraw/zinc/42/68/77/607426877.db2.gz NOJVQSTYTQMQKV-UHFFFAOYSA-N -1 3 386.459 3.258 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000820165986 607427421 /nfs/dbraw/zinc/42/74/21/607427421.db2.gz UGQSEPSCWZXTFB-RDJZCZTQSA-N -1 3 378.436 3.332 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000820165986 607427422 /nfs/dbraw/zinc/42/74/22/607427422.db2.gz UGQSEPSCWZXTFB-RDJZCZTQSA-N -1 3 378.436 3.332 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000820164714 607427440 /nfs/dbraw/zinc/42/74/40/607427440.db2.gz KUYDQHUYPLXYEG-DOTOQJQBSA-N -1 3 396.426 3.471 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000820164714 607427441 /nfs/dbraw/zinc/42/74/41/607427441.db2.gz KUYDQHUYPLXYEG-DOTOQJQBSA-N -1 3 396.426 3.471 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NC[C@H]2Cc3ccccc32)cc1-c1nnn[n-]1 ZINC000820169672 607427703 /nfs/dbraw/zinc/42/77/03/607427703.db2.gz NGCRGKUWYZJBGZ-CQSZACIVSA-N -1 3 378.436 3.115 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NC[C@H]2Cc3ccccc32)cc1-c1nn[n-]n1 ZINC000820169672 607427705 /nfs/dbraw/zinc/42/77/05/607427705.db2.gz NGCRGKUWYZJBGZ-CQSZACIVSA-N -1 3 378.436 3.115 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc([C@@H](C)O)cc2)cc1-c1nnn[n-]1 ZINC000820168822 607427913 /nfs/dbraw/zinc/42/79/13/607427913.db2.gz BJNNRIYMLUHKEB-CYBMUJFWSA-N -1 3 396.451 3.029 20 0 GGADHM CC(C)Oc1ccc(NC(=O)NCc2ccc([C@@H](C)O)cc2)cc1-c1nn[n-]n1 ZINC000820168822 607427914 /nfs/dbraw/zinc/42/79/14/607427914.db2.gz BJNNRIYMLUHKEB-CYBMUJFWSA-N -1 3 396.451 3.029 20 0 GGADHM CC(C)Oc1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000820169123 607429695 /nfs/dbraw/zinc/42/96/95/607429695.db2.gz GHQMFFSAENORSA-UHFFFAOYSA-N -1 3 384.444 3.249 20 0 GGADHM CC(C)Oc1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000820169123 607429696 /nfs/dbraw/zinc/42/96/96/607429696.db2.gz GHQMFFSAENORSA-UHFFFAOYSA-N -1 3 384.444 3.249 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821207884 607430243 /nfs/dbraw/zinc/43/02/43/607430243.db2.gz WZVLIBIGLVJSDA-UHFFFAOYSA-N -1 3 386.378 3.460 20 0 GGADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821207884 607430244 /nfs/dbraw/zinc/43/02/44/607430244.db2.gz WZVLIBIGLVJSDA-UHFFFAOYSA-N -1 3 386.378 3.460 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000263578121 600231474 /nfs/dbraw/zinc/23/14/74/600231474.db2.gz SHPYCHVUKHWQAL-OAHLLOKOSA-N -1 3 383.366 3.275 20 0 GGADHM CCOc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)ccc1OCC(=O)[O-] ZINC000737185936 600261043 /nfs/dbraw/zinc/26/10/43/600261043.db2.gz FIHKWJMXZJJKED-UHFFFAOYSA-N -1 3 386.448 3.171 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000568061332 600262335 /nfs/dbraw/zinc/26/23/35/600262335.db2.gz CAYAVOQYHGHYRX-YJBOKZPZSA-N -1 3 384.451 3.093 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000574863085 600263246 /nfs/dbraw/zinc/26/32/46/600263246.db2.gz FGHDJEWFLWAGDH-CLCXKQKWSA-N -1 3 384.451 3.407 20 0 GGADHM CCc1cccc2c(CC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c[nH]c21 ZINC000825722904 607426876 /nfs/dbraw/zinc/42/68/76/607426876.db2.gz NOJVQSTYTQMQKV-UHFFFAOYSA-N -1 3 386.459 3.258 20 0 GGADHM CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825467 607433716 /nfs/dbraw/zinc/43/37/16/607433716.db2.gz CZYSEOKMAGVBDF-UHFFFAOYSA-N -1 3 380.795 3.452 20 0 GGADHM CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825467 607433719 /nfs/dbraw/zinc/43/37/19/607433719.db2.gz CZYSEOKMAGVBDF-UHFFFAOYSA-N -1 3 380.795 3.452 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCCCC[C@H]1c1ccco1 ZINC000737861230 600274176 /nfs/dbraw/zinc/27/41/76/600274176.db2.gz BHBKZYJFJZJQBA-SJORKVTESA-N -1 3 389.448 3.343 20 0 GGADHM CN(C)[C@@H](CNC(=O)CSc1nc2ccc(C(=O)[O-])cc2o1)c1ccccc1 ZINC000737358478 600276676 /nfs/dbraw/zinc/27/66/76/600276676.db2.gz NEYAYBQMVHGIFR-INIZCTEOSA-N -1 3 399.472 3.037 20 0 GGADHM O=C([O-])NCc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000739991503 600279898 /nfs/dbraw/zinc/27/98/98/600279898.db2.gz IVXWSZWABYFIDZ-UHFFFAOYSA-N -1 3 398.532 3.405 20 0 GGADHM Cc1nc(-c2ccc(Br)cc2)nn1CN1CCCC[C@H]1CC(=O)[O-] ZINC000738827012 600280670 /nfs/dbraw/zinc/28/06/70/600280670.db2.gz DSYXJQIIIUNBKJ-HNNXBMFYSA-N -1 3 393.285 3.303 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC000820164897 607434754 /nfs/dbraw/zinc/43/47/54/607434754.db2.gz NCIAUVRBMWCTEG-HNNXBMFYSA-N -1 3 396.455 3.136 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC000820164897 607434755 /nfs/dbraw/zinc/43/47/55/607434755.db2.gz NCIAUVRBMWCTEG-HNNXBMFYSA-N -1 3 396.455 3.136 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812646 607434955 /nfs/dbraw/zinc/43/49/55/607434955.db2.gz QBABIMVIVFTLNC-HOTGVXAUSA-N -1 3 398.264 3.396 20 0 GGADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812646 607434956 /nfs/dbraw/zinc/43/49/56/607434956.db2.gz QBABIMVIVFTLNC-HOTGVXAUSA-N -1 3 398.264 3.396 20 0 GGADHM C[C@H]1CCc2c(sc3nc(CCN4CCC(CC(=O)[O-])CC4)nc(N)c32)C1 ZINC000736800106 600291996 /nfs/dbraw/zinc/29/19/96/600291996.db2.gz BTQQRIDFMIOFGT-LBPRGKRZSA-N -1 3 388.537 3.128 20 0 GGADHM C[C@@H]1CCc2c(sc3nc(CCN4CCC(CC(=O)[O-])CC4)nc(N)c32)C1 ZINC000736800102 600292192 /nfs/dbraw/zinc/29/21/92/600292192.db2.gz BTQQRIDFMIOFGT-GFCCVEGCSA-N -1 3 388.537 3.128 20 0 GGADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc2ccccc2[nH]c1=O ZINC000736824084 600295391 /nfs/dbraw/zinc/29/53/91/600295391.db2.gz NGUFFRCAWHWYGL-HNNXBMFYSA-N -1 3 377.444 3.349 20 0 GGADHM CN(Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000737477615 600305151 /nfs/dbraw/zinc/30/51/51/600305151.db2.gz IMCNAGXPLPJREB-SFHVURJKSA-N -1 3 382.464 3.042 20 0 GGADHM COc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000737957017 600321149 /nfs/dbraw/zinc/32/11/49/600321149.db2.gz IHEWKOMYNNONBQ-LJQANCHMSA-N -1 3 383.448 3.352 20 0 GGADHM CN(Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC000737480763 600340554 /nfs/dbraw/zinc/34/05/54/600340554.db2.gz SRSICFKRKSTTEY-UHFFFAOYSA-N -1 3 396.491 3.366 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737084945 600344824 /nfs/dbraw/zinc/34/48/24/600344824.db2.gz GLOUWDHRLBOKET-CVEARBPZSA-N -1 3 379.526 3.027 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000736798271 600348496 /nfs/dbraw/zinc/34/84/96/600348496.db2.gz UUFMZVPGZMDKTI-UXHICEINSA-N -1 3 399.535 3.356 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000739987808 600349979 /nfs/dbraw/zinc/34/99/79/600349979.db2.gz FXGXILMPMFHPHJ-IBGZPJMESA-N -1 3 382.464 3.240 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725257 600350310 /nfs/dbraw/zinc/35/03/10/600350310.db2.gz UALWOKZHFSKRHL-HNAYVOBHSA-N -1 3 382.464 3.411 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000739988998 600353954 /nfs/dbraw/zinc/35/39/54/600353954.db2.gz YCYUDVWGOBQGSF-INIZCTEOSA-N -1 3 388.493 3.474 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)N(C)C)cc1 ZINC000737259312 600356464 /nfs/dbraw/zinc/35/64/64/600356464.db2.gz OLBUUHNOQRWNLO-IBGZPJMESA-N -1 3 384.480 3.441 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000739988010 600357200 /nfs/dbraw/zinc/35/72/00/600357200.db2.gz JHSZIPVAPPHZFM-LJQANCHMSA-N -1 3 382.464 3.240 20 0 GGADHM COc1ccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000262922070 600361736 /nfs/dbraw/zinc/36/17/36/600361736.db2.gz FQGOVBHINNZPBF-HXUWFJFHSA-N -1 3 397.475 3.030 20 0 GGADHM CN(C(=O)c1cnc(-c2ccccc2F)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833306 607439110 /nfs/dbraw/zinc/43/91/10/607439110.db2.gz FTFGIRQQVKJEAT-UHFFFAOYSA-N -1 3 380.408 3.406 20 0 GGADHM CN(C(=O)c1cnc(-c2ccccc2F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833306 607439111 /nfs/dbraw/zinc/43/91/11/607439111.db2.gz FTFGIRQQVKJEAT-UHFFFAOYSA-N -1 3 380.408 3.406 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212538 607439475 /nfs/dbraw/zinc/43/94/75/607439475.db2.gz UEVMPAADUDQAIF-MRXNPFEDSA-N -1 3 377.448 3.348 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212538 607439477 /nfs/dbraw/zinc/43/94/77/607439477.db2.gz UEVMPAADUDQAIF-MRXNPFEDSA-N -1 3 377.448 3.348 20 0 GGADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)C(=O)[O-] ZINC000736571164 600374872 /nfs/dbraw/zinc/37/48/72/600374872.db2.gz JBZKEWGXHSJIDO-CABCVRRESA-N -1 3 387.505 3.353 20 0 GGADHM CN(C(=O)CN(Cc1ccccc1)CC1CCOCC1)c1ccccc1C(=O)[O-] ZINC000737324276 600375139 /nfs/dbraw/zinc/37/51/39/600375139.db2.gz NCTMKIILZMXEFT-UHFFFAOYSA-N -1 3 396.487 3.276 20 0 GGADHM C[C@H]1CCCN(C(=O)C2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000736788635 600400323 /nfs/dbraw/zinc/40/03/23/600400323.db2.gz FSYRCFXQVCESDD-KSSFIOAISA-N -1 3 378.900 3.436 20 0 GGADHM Cc1occc1C(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000738984093 600404915 /nfs/dbraw/zinc/40/49/15/600404915.db2.gz DZJOGIJSLZJCTL-QGZVFWFLSA-N -1 3 376.840 3.262 20 0 GGADHM C[C@@](CO)(NCCOc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000736606516 600411004 /nfs/dbraw/zinc/41/10/04/600411004.db2.gz GIUVTBDZMLIYDN-SFHVURJKSA-N -1 3 383.366 3.280 20 0 GGADHM NC(=O)c1ccc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)cc1 ZINC000739176555 600412882 /nfs/dbraw/zinc/41/28/82/600412882.db2.gz HVMCTJGIPPHKBN-UHFFFAOYSA-N -1 3 395.484 3.021 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000824228102 607442702 /nfs/dbraw/zinc/44/27/02/607442702.db2.gz FDIFPGCLGLXZSY-UHFFFAOYSA-N -1 3 396.426 3.267 20 0 GGADHM CC(C)CC(=O)Nc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824228102 607442703 /nfs/dbraw/zinc/44/27/03/607442703.db2.gz FDIFPGCLGLXZSY-UHFFFAOYSA-N -1 3 396.426 3.267 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(F)cc1 ZINC000739483341 600426735 /nfs/dbraw/zinc/42/67/35/600426735.db2.gz DZCVNXAAEOSNDC-IBGZPJMESA-N -1 3 379.391 3.389 20 0 GGADHM O=C([O-])[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(Cl)c1 ZINC000739484086 600429621 /nfs/dbraw/zinc/42/96/21/600429621.db2.gz PKVMCRWSEKQWAV-QZTJIDSGSA-N -1 3 388.851 3.373 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000736465937 600446288 /nfs/dbraw/zinc/44/62/88/600446288.db2.gz PAELLXRJNBCMAA-NRFANRHFSA-N -1 3 380.488 3.346 20 0 GGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000739285378 600449873 /nfs/dbraw/zinc/44/98/73/600449873.db2.gz GZCOOFBEUOCULB-NFBKMPQASA-N -1 3 395.503 3.102 20 0 GGADHM Cc1cc(CN[C@H]2CCCN(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000738389164 600451304 /nfs/dbraw/zinc/45/13/04/600451304.db2.gz OFMJQTQAUPDZGL-IBGZPJMESA-N -1 3 382.460 3.052 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736722816 600457056 /nfs/dbraw/zinc/45/70/56/600457056.db2.gz DVXCJZLQJYOBCU-UZLBHIALSA-N -1 3 396.491 3.454 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000740017761 600457529 /nfs/dbraw/zinc/45/75/29/600457529.db2.gz LOOSUQQUMAHXJW-FQEVSTJZSA-N -1 3 396.491 3.283 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000826254354 607445551 /nfs/dbraw/zinc/44/55/51/607445551.db2.gz HMUMOUZAZHNLEW-UHFFFAOYSA-N -1 3 392.463 3.163 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000826254354 607445553 /nfs/dbraw/zinc/44/55/53/607445553.db2.gz HMUMOUZAZHNLEW-UHFFFAOYSA-N -1 3 392.463 3.163 20 0 GGADHM CCc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C(=O)[O-])cc2OC)o1 ZINC000737259617 600462537 /nfs/dbraw/zinc/46/25/37/600462537.db2.gz VIFLWMMNUNNESK-WBVHZDCISA-N -1 3 389.448 3.126 20 0 GGADHM CSc1cccc(N(C(=O)CCSCC(=O)[O-])C2CCN(C)CC2)c1 ZINC000738215483 600480001 /nfs/dbraw/zinc/48/00/01/600480001.db2.gz ZEZPULVOAKGNCB-UHFFFAOYSA-N -1 3 382.551 3.044 20 0 GGADHM CC[C@H](Oc1cccc(C)c1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825160425 607446930 /nfs/dbraw/zinc/44/69/30/607446930.db2.gz ZVWDKKDMWWBSDB-SFHVURJKSA-N -1 3 377.448 3.138 20 0 GGADHM CC[C@H](Oc1cccc(C)c1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825160425 607446931 /nfs/dbraw/zinc/44/69/31/607446931.db2.gz ZVWDKKDMWWBSDB-SFHVURJKSA-N -1 3 377.448 3.138 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1c[nH]nc1-c1ccccc1 ZINC000823061078 607446966 /nfs/dbraw/zinc/44/69/66/607446966.db2.gz VBIFFAUBRQPEKZ-UHFFFAOYSA-N -1 3 391.460 3.129 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1c[nH]nc1-c1ccccc1 ZINC000823061078 607446969 /nfs/dbraw/zinc/44/69/69/607446969.db2.gz VBIFFAUBRQPEKZ-UHFFFAOYSA-N -1 3 391.460 3.129 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000262970075 600486550 /nfs/dbraw/zinc/48/65/50/600486550.db2.gz JUNVAQSAZGWRON-HZPDHXFCSA-N -1 3 379.526 3.027 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820160468 607447276 /nfs/dbraw/zinc/44/72/76/607447276.db2.gz KWBTULLHEDKFLO-QKKBWIMNSA-N -1 3 395.463 3.147 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820160468 607447278 /nfs/dbraw/zinc/44/72/78/607447278.db2.gz KWBTULLHEDKFLO-QKKBWIMNSA-N -1 3 395.463 3.147 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1nc(-c2ccccc2)cs1 ZINC000826429143 607447546 /nfs/dbraw/zinc/44/75/46/607447546.db2.gz VFBNLULAEXEZCB-UHFFFAOYSA-N -1 3 388.456 3.409 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1nc(-c2ccccc2)cs1 ZINC000826429143 607447547 /nfs/dbraw/zinc/44/75/47/607447547.db2.gz VFBNLULAEXEZCB-UHFFFAOYSA-N -1 3 388.456 3.409 20 0 GGADHM C[C@@H]1SCCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000572609380 600490104 /nfs/dbraw/zinc/49/01/04/600490104.db2.gz NSNLDCCGXZUMPC-QSFXBCCZSA-N -1 3 387.501 3.303 20 0 GGADHM CC(C)Oc1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824324642 607447910 /nfs/dbraw/zinc/44/79/10/607447910.db2.gz SUMNYZQEJNZTJF-UHFFFAOYSA-N -1 3 392.463 3.142 20 0 GGADHM CC(C)Oc1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824324642 607447911 /nfs/dbraw/zinc/44/79/11/607447911.db2.gz SUMNYZQEJNZTJF-UHFFFAOYSA-N -1 3 392.463 3.142 20 0 GGADHM CN(C)CCN(CC1CCCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737371075 600499008 /nfs/dbraw/zinc/49/90/08/600499008.db2.gz XFFPRXVCIILGKU-UHFFFAOYSA-N -1 3 390.528 3.473 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738708154 600499206 /nfs/dbraw/zinc/49/92/06/600499206.db2.gz IJYXUFIVDZSPHJ-UHFFFAOYSA-N -1 3 398.507 3.401 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826430089 607449322 /nfs/dbraw/zinc/44/93/22/607449322.db2.gz TVBFZZLMNPFKNI-ZIAGYGMSSA-N -1 3 394.401 3.276 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826430089 607449323 /nfs/dbraw/zinc/44/93/23/607449323.db2.gz TVBFZZLMNPFKNI-ZIAGYGMSSA-N -1 3 394.401 3.276 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737367574 600515268 /nfs/dbraw/zinc/51/52/68/600515268.db2.gz NZWOEZQOTCCIHB-UHFFFAOYSA-N -1 3 376.844 3.029 20 0 GGADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1OC ZINC000825133760 607449830 /nfs/dbraw/zinc/44/98/30/607449830.db2.gz PMDWALCUOTXQPE-QGZVFWFLSA-N -1 3 392.463 3.315 20 0 GGADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1OC ZINC000825133760 607449832 /nfs/dbraw/zinc/44/98/32/607449832.db2.gz PMDWALCUOTXQPE-QGZVFWFLSA-N -1 3 392.463 3.315 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000738407297 600524119 /nfs/dbraw/zinc/52/41/19/600524119.db2.gz SOHNQMNLFKBILH-UHFFFAOYSA-N -1 3 397.519 3.439 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000821613475 607452474 /nfs/dbraw/zinc/45/24/74/607452474.db2.gz OUZXBRFJAZQAMY-UHFFFAOYSA-N -1 3 396.760 3.206 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000821613475 607452476 /nfs/dbraw/zinc/45/24/76/607452476.db2.gz OUZXBRFJAZQAMY-UHFFFAOYSA-N -1 3 396.760 3.206 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736392199 600545883 /nfs/dbraw/zinc/54/58/83/600545883.db2.gz TZGVIUAPCNVYBE-RBBKRZOGSA-N -1 3 380.488 3.354 20 0 GGADHM O=C([O-])c1ccc(CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000739430597 600559303 /nfs/dbraw/zinc/55/93/03/600559303.db2.gz RYBMHSFKUJFVRD-NRFANRHFSA-N -1 3 395.503 3.454 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000738707713 600559560 /nfs/dbraw/zinc/55/95/60/600559560.db2.gz CUQLQJNZOGPJKE-UHFFFAOYSA-N -1 3 383.492 3.009 20 0 GGADHM O=C(NCc1cc2c(s1)CCCC2)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826440264 607454229 /nfs/dbraw/zinc/45/42/29/607454229.db2.gz GJYWAXXALFFJNI-UHFFFAOYSA-N -1 3 394.504 3.296 20 0 GGADHM O=C(NCc1cc2c(s1)CCCC2)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826440264 607454230 /nfs/dbraw/zinc/45/42/30/607454230.db2.gz GJYWAXXALFFJNI-UHFFFAOYSA-N -1 3 394.504 3.296 20 0 GGADHM O=C([O-])[C@H]1CC12CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000739528849 600566734 /nfs/dbraw/zinc/56/67/34/600566734.db2.gz ZJELAOTVZXWPJU-RTBURBONSA-N -1 3 385.508 3.110 20 0 GGADHM O=C([O-])[C@H]1CC12CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000739528844 600566883 /nfs/dbraw/zinc/56/68/83/600566883.db2.gz ZJELAOTVZXWPJU-MOPGFXCFSA-N -1 3 385.508 3.110 20 0 GGADHM O=C(N[C@H]1CCc2cc(Cl)ccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826431827 607454495 /nfs/dbraw/zinc/45/44/95/607454495.db2.gz LLFBKRHSYPXEHC-KRWDZBQOSA-N -1 3 394.866 3.496 20 0 GGADHM O=C(N[C@H]1CCc2cc(Cl)ccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826431827 607454497 /nfs/dbraw/zinc/45/44/97/607454497.db2.gz LLFBKRHSYPXEHC-KRWDZBQOSA-N -1 3 394.866 3.496 20 0 GGADHM O=C([O-])c1n[nH]c2ccc(NC(=O)NC[C@H](c3ccccc3)N3CCCC3)cc21 ZINC000739403935 600569550 /nfs/dbraw/zinc/56/95/50/600569550.db2.gz JZJSLNVTMHMFSQ-GOSISDBHSA-N -1 3 393.447 3.220 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)COc1cccc(OCC(C)C)c1 ZINC000822217369 607454844 /nfs/dbraw/zinc/45/48/44/607454844.db2.gz CEKGJBWYFGGAEK-UHFFFAOYSA-N -1 3 381.436 3.227 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cccc(OCC(C)C)c1 ZINC000822217369 607454846 /nfs/dbraw/zinc/45/48/46/607454846.db2.gz CEKGJBWYFGGAEK-UHFFFAOYSA-N -1 3 381.436 3.227 20 0 GGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC000824157467 607455325 /nfs/dbraw/zinc/45/53/25/607455325.db2.gz GOUYEAPRNUMHHE-UHFFFAOYSA-N -1 3 394.454 3.272 20 0 GGADHM CC(C)(CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC000824157467 607455328 /nfs/dbraw/zinc/45/53/28/607455328.db2.gz GOUYEAPRNUMHHE-UHFFFAOYSA-N -1 3 394.454 3.272 20 0 GGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823548339 607455928 /nfs/dbraw/zinc/45/59/28/607455928.db2.gz WLGHITNPMNYDQE-QPEQYQDCSA-N -1 3 387.733 3.143 20 0 GGADHM O=C1OC(c2c(F)cccc2Cl)=NC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823548339 607455929 /nfs/dbraw/zinc/45/59/29/607455929.db2.gz WLGHITNPMNYDQE-QPEQYQDCSA-N -1 3 387.733 3.143 20 0 GGADHM O=C([O-])Nc1ccccc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000740045729 600592410 /nfs/dbraw/zinc/59/24/10/600592410.db2.gz KILSSONQPGQPJB-UHFFFAOYSA-N -1 3 377.510 3.258 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000736475026 600593425 /nfs/dbraw/zinc/59/34/25/600593425.db2.gz RNAFHCCRORRHFP-NRFANRHFSA-N -1 3 395.503 3.115 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000736475028 600593466 /nfs/dbraw/zinc/59/34/66/600593466.db2.gz RNAFHCCRORRHFP-OAQYLSRUSA-N -1 3 395.503 3.115 20 0 GGADHM C[C@H](CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)Cc1cccs1 ZINC000824422430 607456830 /nfs/dbraw/zinc/45/68/30/607456830.db2.gz ZSZLEJQHHHSCJI-ZDUSSCGKSA-N -1 3 382.493 3.095 20 0 GGADHM C[C@H](CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)Cc1cccs1 ZINC000824422430 607456831 /nfs/dbraw/zinc/45/68/31/607456831.db2.gz ZSZLEJQHHHSCJI-ZDUSSCGKSA-N -1 3 382.493 3.095 20 0 GGADHM COC1CCC(N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC000737734102 600629039 /nfs/dbraw/zinc/62/90/39/600629039.db2.gz NYHTVBFKGAQNAB-IYXRBSQSSA-N -1 3 394.537 3.399 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CCN(C3CCC(C)CC3)CC2)c(C)c1C(=O)[O-] ZINC000738237252 600631536 /nfs/dbraw/zinc/63/15/36/600631536.db2.gz SIUJQYXLMPUVKQ-BLDCVEFLSA-N -1 3 375.513 3.097 20 0 GGADHM O=C([O-])c1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000666574515 600639684 /nfs/dbraw/zinc/63/96/84/600639684.db2.gz XUHYDIVXAQSYHI-INIZCTEOSA-N -1 3 378.350 3.299 20 0 GGADHM O=C([O-])Nc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1F ZINC000740007618 600666307 /nfs/dbraw/zinc/66/63/07/600666307.db2.gz XKYZXBXRQLELSO-UHFFFAOYSA-N -1 3 386.427 3.066 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C)cc3C(=O)[O-])CC2)c1 ZINC000738732856 600669432 /nfs/dbraw/zinc/66/94/32/600669432.db2.gz NHQGAQJJAARGDP-UHFFFAOYSA-N -1 3 381.476 3.152 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736814286 600692503 /nfs/dbraw/zinc/69/25/03/600692503.db2.gz JVXXEUFXXBCCKJ-SFHVURJKSA-N -1 3 380.488 3.440 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(-n2cccn2)c1 ZINC000827727229 600693668 /nfs/dbraw/zinc/69/36/68/600693668.db2.gz HGMRXGIEBSBNPR-SUMWQHHRSA-N -1 3 396.472 3.088 20 0 GGADHM CCCN1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000737029631 600706197 /nfs/dbraw/zinc/70/61/97/600706197.db2.gz CQQZCMGUQJTUFY-UHFFFAOYSA-N -1 3 378.270 3.228 20 0 GGADHM O=C([O-])c1cc(N2CCN3CCCC[C@@H]3C2)c2cc(Br)ccc2n1 ZINC000740080654 600707635 /nfs/dbraw/zinc/70/76/35/600707635.db2.gz GDPWABLYUUFTSG-CYBMUJFWSA-N -1 3 390.281 3.370 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000738532910 600720727 /nfs/dbraw/zinc/72/07/27/600720727.db2.gz PFAVUJVIYAKPMP-SFHVURJKSA-N -1 3 395.503 3.228 20 0 GGADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738929053 600728704 /nfs/dbraw/zinc/72/87/04/600728704.db2.gz WLNUCWXSCCTFPV-QGZVFWFLSA-N -1 3 376.888 3.434 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736812442 600729193 /nfs/dbraw/zinc/72/91/93/600729193.db2.gz ACNRVJFFXAGZRV-GOSISDBHSA-N -1 3 395.503 3.233 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736812444 600729241 /nfs/dbraw/zinc/72/92/41/600729241.db2.gz ACNRVJFFXAGZRV-SFHVURJKSA-N -1 3 395.503 3.233 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736814770 600742261 /nfs/dbraw/zinc/74/22/61/600742261.db2.gz LPUDUDPMSIWLMN-KRWDZBQOSA-N -1 3 397.475 3.278 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000832367538 600746800 /nfs/dbraw/zinc/74/68/00/600746800.db2.gz HPQBKHYXBDUBSA-UGSOOPFHSA-N -1 3 378.831 3.482 20 0 GGADHM Cc1ccc(N2CCC[C@@H](N[C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)nn1 ZINC000832937717 600749018 /nfs/dbraw/zinc/74/90/18/600749018.db2.gz BECLCQFNVPMZGK-DYVFJYSZSA-N -1 3 395.290 3.476 20 0 GGADHM O=C([O-])[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1F ZINC000833165552 600749034 /nfs/dbraw/zinc/74/90/34/600749034.db2.gz KPJMJCCNVFMSJY-INIZCTEOSA-N -1 3 375.787 3.487 20 0 GGADHM O=C([O-])[C@@H](N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1F ZINC000833166042 600751848 /nfs/dbraw/zinc/75/18/48/600751848.db2.gz FFIFCZYUIOJUMG-SJCJKPOMSA-N -1 3 380.366 3.421 20 0 GGADHM O=C([O-])[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1cccc(Cl)c1 ZINC000833167826 600761610 /nfs/dbraw/zinc/76/16/10/600761610.db2.gz QHJLHPPIBZPAGY-SOAMZJECSA-N -1 3 384.863 3.212 20 0 GGADHM C[C@](O)(c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1)C(F)(F)F ZINC000820468697 607467793 /nfs/dbraw/zinc/46/77/93/607467793.db2.gz VYTVWEPDWXNQIL-INIZCTEOSA-N -1 3 382.317 3.355 20 0 GGADHM C[C@](O)(c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1)C(F)(F)F ZINC000820468697 607467794 /nfs/dbraw/zinc/46/77/94/607467794.db2.gz VYTVWEPDWXNQIL-INIZCTEOSA-N -1 3 382.317 3.355 20 0 GGADHM Cc1ccc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000184997939 600779316 /nfs/dbraw/zinc/77/93/16/600779316.db2.gz HYJAUVUCZRUPMY-HNNXBMFYSA-N -1 3 390.505 3.101 20 0 GGADHM O[C@H](CN(Cc1ccccc1)c1ncccc1-c1nnn[n-]1)c1ccsc1 ZINC000823675811 607468864 /nfs/dbraw/zinc/46/88/64/607468864.db2.gz ZTGQILXUMXFVIG-QGZVFWFLSA-N -1 3 378.461 3.063 20 0 GGADHM O[C@H](CN(Cc1ccccc1)c1ncccc1-c1nn[n-]n1)c1ccsc1 ZINC000823675811 607468865 /nfs/dbraw/zinc/46/88/65/607468865.db2.gz ZTGQILXUMXFVIG-QGZVFWFLSA-N -1 3 378.461 3.063 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)o1 ZINC000740123209 600795823 /nfs/dbraw/zinc/79/58/23/600795823.db2.gz CCPSMBLONPTKPC-UHFFFAOYSA-N -1 3 382.460 3.381 20 0 GGADHM CC[C@H]1CCc2ccccc2N1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825204794 607469310 /nfs/dbraw/zinc/46/93/10/607469310.db2.gz SFGIQVIAYUVSNA-HNNXBMFYSA-N -1 3 380.452 3.246 20 0 GGADHM O=C([O-])c1ccc(OCCN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000833321587 600819871 /nfs/dbraw/zinc/81/98/71/600819871.db2.gz IVRLZJOQSWRQGJ-IRXDYDNUSA-N -1 3 386.879 3.485 20 0 GGADHM COc1ccc(CCCN(C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832300096 600820014 /nfs/dbraw/zinc/82/00/14/600820014.db2.gz YOLLUXBSKBEQEE-QGZVFWFLSA-N -1 3 388.489 3.125 20 0 GGADHM Cc1nc(C)n(C[C@@H]2CCCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000832995323 600827294 /nfs/dbraw/zinc/82/72/94/600827294.db2.gz CZTQVLCWSGRIHB-OAHLLOKOSA-N -1 3 392.887 3.038 20 0 GGADHM COc1ccc(-c2nc(CN(CCC(=O)[O-])C3CCOCC3)cs2)cc1 ZINC000566620046 600858848 /nfs/dbraw/zinc/85/88/48/600858848.db2.gz YSPVPIQPNFKEKA-UHFFFAOYSA-N -1 3 376.478 3.274 20 0 GGADHM O=C([O-])CCN(CC(=O)N(Cc1ccccc1)c1ccccc1)C1CCOCC1 ZINC000565774795 600858937 /nfs/dbraw/zinc/85/89/37/600858937.db2.gz RVVAFTHZARDNRO-UHFFFAOYSA-N -1 3 396.487 3.176 20 0 GGADHM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000828213598 600894934 /nfs/dbraw/zinc/89/49/34/600894934.db2.gz ASWOHDFGARQLNN-ZOWXZIJZSA-N -1 3 388.386 3.090 20 0 GGADHM O=C(Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1)c1ccco1 ZINC000823350178 607476014 /nfs/dbraw/zinc/47/60/14/607476014.db2.gz BYZABRQHSFXIRX-UHFFFAOYSA-N -1 3 378.367 3.463 20 0 GGADHM O=C(Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1)c1ccco1 ZINC000823350178 607476016 /nfs/dbraw/zinc/47/60/16/607476016.db2.gz BYZABRQHSFXIRX-UHFFFAOYSA-N -1 3 378.367 3.463 20 0 GGADHM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000833186526 600916751 /nfs/dbraw/zinc/91/67/51/600916751.db2.gz MVJDQZRKKBSRHI-IRXDYDNUSA-N -1 3 376.522 3.107 20 0 GGADHM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828279422 600961735 /nfs/dbraw/zinc/96/17/35/600961735.db2.gz ZZYZMBAXMKJIIJ-GOSISDBHSA-N -1 3 380.488 3.440 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000736713975 600969998 /nfs/dbraw/zinc/96/99/98/600969998.db2.gz FKKZQHFDXCAHQP-RYUDHWBXSA-N -1 3 387.354 3.429 20 0 GGADHM CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000737007370 600973876 /nfs/dbraw/zinc/97/38/76/600973876.db2.gz GEBIWFCSRLCZTQ-RBUKOAKNSA-N -1 3 394.556 3.150 20 0 GGADHM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC3(C2)CCCCC3)cc(C(=O)[O-])c1 ZINC000737659843 600975836 /nfs/dbraw/zinc/97/58/36/600975836.db2.gz KDQIURFNVVSNGY-AWEZNQCLSA-N -1 3 388.464 3.155 20 0 GGADHM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830472730 600984209 /nfs/dbraw/zinc/98/42/09/600984209.db2.gz YTCKNGRMYFMBOT-OAQYLSRUSA-N -1 3 380.488 3.440 20 0 GGADHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000826875871 600991795 /nfs/dbraw/zinc/99/17/95/600991795.db2.gz KXKUCQOMXAFOLR-UHFFFAOYSA-N -1 3 376.453 3.099 20 0 GGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000833174109 600992890 /nfs/dbraw/zinc/99/28/90/600992890.db2.gz ZXUXFPONOSTGOJ-HXUWFJFHSA-N -1 3 382.435 3.253 20 0 GGADHM Fc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccn2)cc1 ZINC000822765972 607479826 /nfs/dbraw/zinc/47/98/26/607479826.db2.gz CSSGXQLPRIZBGG-IBGZPJMESA-N -1 3 378.386 3.419 20 0 GGADHM Fc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccn2)cc1 ZINC000822765972 607479828 /nfs/dbraw/zinc/47/98/28/607479828.db2.gz CSSGXQLPRIZBGG-IBGZPJMESA-N -1 3 378.386 3.419 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(C)c2)CC1 ZINC000424477074 600998257 /nfs/dbraw/zinc/99/82/57/600998257.db2.gz VEJHVNZVMJCZAW-QGZVFWFLSA-N -1 3 390.528 3.005 20 0 GGADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000833172996 601014737 /nfs/dbraw/zinc/01/47/37/601014737.db2.gz YUPVXLQWCWKSJS-WMLDXEAASA-N -1 3 387.307 3.306 20 0 GGADHM C[C@H]1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828276386 601017847 /nfs/dbraw/zinc/01/78/47/601017847.db2.gz BRJUZODJNVTVSS-KRWDZBQOSA-N -1 3 397.475 3.278 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](N(C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843029 601041860 /nfs/dbraw/zinc/04/18/60/601041860.db2.gz OUIRFONKVGQCEO-FUHWJXTLSA-N -1 3 383.492 3.107 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](N(C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843057 601042219 /nfs/dbraw/zinc/04/22/19/601042219.db2.gz OUIRFONKVGQCEO-WMZOPIPTSA-N -1 3 383.492 3.107 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832842788 601047589 /nfs/dbraw/zinc/04/75/89/601047589.db2.gz JKNCDHHJLGYTFD-MAUKXSAKSA-N -1 3 397.519 3.497 20 0 GGADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832842789 601047773 /nfs/dbraw/zinc/04/77/73/601047773.db2.gz JKNCDHHJLGYTFD-QAPCUYQASA-N -1 3 397.519 3.497 20 0 GGADHM O=C([O-])[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000738480031 601081734 /nfs/dbraw/zinc/08/17/34/601081734.db2.gz UCBSTRCFQPTXQI-ICSRJNTNSA-N -1 3 384.451 3.022 20 0 GGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823705409 607487886 /nfs/dbraw/zinc/48/78/86/607487886.db2.gz GTBXKFDVBURAFP-RTBURBONSA-N -1 3 383.427 3.300 20 0 GGADHM O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823705409 607487888 /nfs/dbraw/zinc/48/78/88/607487888.db2.gz GTBXKFDVBURAFP-RTBURBONSA-N -1 3 383.427 3.300 20 0 GGADHM CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830499849 601131011 /nfs/dbraw/zinc/13/10/11/601131011.db2.gz GPIGLXZJPHUURJ-HXUWFJFHSA-N -1 3 381.476 3.442 20 0 GGADHM Cc1ccc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1C(=O)[O-] ZINC000832944588 601138923 /nfs/dbraw/zinc/13/89/23/601138923.db2.gz HXJDXRXUIVGVAJ-UHFFFAOYSA-N -1 3 396.491 3.259 20 0 GGADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000828295832 601147662 /nfs/dbraw/zinc/14/76/62/601147662.db2.gz QTGUONQINCVHDK-SFHVURJKSA-N -1 3 395.503 3.233 20 0 GGADHM CN(CC(=O)[O-])C(=O)CCN(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830693015 601184426 /nfs/dbraw/zinc/18/44/26/601184426.db2.gz XIFSLRNQAXRVCJ-HXUWFJFHSA-N -1 3 392.858 3.433 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000826055221 601201812 /nfs/dbraw/zinc/20/18/12/601201812.db2.gz WZNGGIDNHFTNML-SJKOYZFVSA-N -1 3 391.265 3.439 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000826052420 601203668 /nfs/dbraw/zinc/20/36/68/601203668.db2.gz GKXZKAPGVCSFNR-YVEFUNNKSA-N -1 3 391.265 3.439 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000826051861 601204903 /nfs/dbraw/zinc/20/49/03/601204903.db2.gz DHDXNLWCEIFMMX-SJCJKPOMSA-N -1 3 378.375 3.278 20 0 GGADHM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccccc1-n1cccn1 ZINC000827727738 601222763 /nfs/dbraw/zinc/22/27/63/601222763.db2.gz MOBJYQXXABFQJP-BBRMVZONSA-N -1 3 396.472 3.088 20 0 GGADHM CCN1CCN(Cc2ccc(CNc3nc(Cl)c(C(=O)[O-])s3)cc2)CC1 ZINC000829776090 601248527 /nfs/dbraw/zinc/24/85/27/601248527.db2.gz HCHZAOAVUCAEKD-UHFFFAOYSA-N -1 3 394.928 3.244 20 0 GGADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824811863 607498506 /nfs/dbraw/zinc/49/85/06/607498506.db2.gz FUUKZRMDNKBMKD-KRWDZBQOSA-N -1 3 384.871 3.267 20 0 GGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1c(F)cc(F)cc1F ZINC000820549792 607498854 /nfs/dbraw/zinc/49/88/54/607498854.db2.gz RHQUVLNTBWYMSX-ZJUUUORDSA-N -1 3 392.337 3.356 20 0 GGADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1c(F)cc(F)cc1F ZINC000820549792 607498856 /nfs/dbraw/zinc/49/88/56/607498856.db2.gz RHQUVLNTBWYMSX-ZJUUUORDSA-N -1 3 392.337 3.356 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Br)c(Cl)c1 ZINC000823103293 607503209 /nfs/dbraw/zinc/50/32/09/607503209.db2.gz DGBIHYBKHGEEII-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Br)c(Cl)c1 ZINC000823103293 607503210 /nfs/dbraw/zinc/50/32/10/607503210.db2.gz DGBIHYBKHGEEII-UHFFFAOYSA-N -1 3 392.644 3.464 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN(C)Cc1cc2ccccc2o1 ZINC000831917192 601306357 /nfs/dbraw/zinc/30/63/57/601306357.db2.gz GDZQGHUYNAWCJQ-MRXNPFEDSA-N -1 3 385.416 3.011 20 0 GGADHM CC(C)OCCN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000827027654 601309094 /nfs/dbraw/zinc/30/90/94/601309094.db2.gz VCUQDZAQYCMJFT-UHFFFAOYSA-N -1 3 383.876 3.049 20 0 GGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCN(C2CCOCC2)CC1 ZINC000833347362 601309100 /nfs/dbraw/zinc/30/91/00/601309100.db2.gz AEBXSBWELYDMEE-UHFFFAOYSA-N -1 3 378.469 3.035 20 0 GGADHM O=C([O-])c1cn(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)c2ccccc12 ZINC000833119909 601343776 /nfs/dbraw/zinc/34/37/76/601343776.db2.gz MZQYDALNUQDNRA-SFHVURJKSA-N -1 3 397.500 3.354 20 0 GGADHM CC(C)c1cccc(NC(=O)CONC(=N)COc2cccc(C(=O)[O-])c2)c1 ZINC000827134409 601352991 /nfs/dbraw/zinc/35/29/91/601352991.db2.gz YBLJPXXIKMUPJO-UHFFFAOYSA-N -1 3 385.420 3.024 20 0 GGADHM O=C([O-])[C@H](N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000833167448 601370643 /nfs/dbraw/zinc/37/06/43/601370643.db2.gz NCFFSLZYIHIXIF-WMLDXEAASA-N -1 3 378.350 3.226 20 0 GGADHM O=C([O-])[C@@H](N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000833167446 601370649 /nfs/dbraw/zinc/37/06/49/601370649.db2.gz NCFFSLZYIHIXIF-PBHICJAKSA-N -1 3 378.350 3.226 20 0 GGADHM CCOc1ccc(-c2nc(COC(=O)c3cc(-c4nnn[n-]4)cs3)co2)cc1 ZINC000821400126 607504109 /nfs/dbraw/zinc/50/41/09/607504109.db2.gz FIBCQSLSIPISHW-UHFFFAOYSA-N -1 3 397.416 3.339 20 0 GGADHM CCOc1ccc(-c2nc(COC(=O)c3cc(-c4nn[n-]n4)cs3)co2)cc1 ZINC000821400126 607504111 /nfs/dbraw/zinc/50/41/11/607504111.db2.gz FIBCQSLSIPISHW-UHFFFAOYSA-N -1 3 397.416 3.339 20 0 GGADHM CCC(CC)(CC(=O)[O-])NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000828796263 601377751 /nfs/dbraw/zinc/37/77/51/601377751.db2.gz FHOMHEJRHHSHME-UHFFFAOYSA-N -1 3 377.554 3.149 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000830362801 601413549 /nfs/dbraw/zinc/41/35/49/601413549.db2.gz IIDVPAMZDPINBE-UHFFFAOYSA-N -1 3 391.855 3.439 20 0 GGADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819782016 607506845 /nfs/dbraw/zinc/50/68/45/607506845.db2.gz HQWYMRHDFWJTMU-UHFFFAOYSA-N -1 3 394.435 3.388 20 0 GGADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819782016 607506847 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3.198 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000263093632 601519612 /nfs/dbraw/zinc/51/96/12/601519612.db2.gz ALWXZXFVTCGIFD-DJKXOVBDSA-N -1 3 386.879 3.198 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828420348 601527002 /nfs/dbraw/zinc/52/70/02/601527002.db2.gz CHCMNWUTDHGMOD-KKZNHRDASA-N -1 3 378.778 3.338 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421446 601529859 /nfs/dbraw/zinc/52/98/59/601529859.db2.gz FSORZJDXVRJCOV-YCPHGPKFSA-N -1 3 388.464 3.098 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832310734 601533501 /nfs/dbraw/zinc/53/35/01/601533501.db2.gz GBFABMYWILNESP-UHFFFAOYSA-N -1 3 386.448 3.089 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863215 601535898 /nfs/dbraw/zinc/53/58/98/601535898.db2.gz LFEAIQHBHHHONM-PXNSSMCTSA-N -1 3 396.487 3.332 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000422584788 601537691 /nfs/dbraw/zinc/53/76/91/601537691.db2.gz AORGBDFHYDSTJR-LXGCGDOSSA-N -1 3 386.879 3.198 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000422584787 601537819 /nfs/dbraw/zinc/53/78/19/601537819.db2.gz AORGBDFHYDSTJR-DJKXOVBDSA-N -1 3 386.879 3.198 20 0 GGADHM Cc1ccc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)c(N2CCOCC2)c1 ZINC000832933447 601566872 /nfs/dbraw/zinc/56/68/72/601566872.db2.gz CETUVZWNQMWHDB-UHFFFAOYSA-N -1 3 398.503 3.202 20 0 GGADHM CO[C@H](C)c1nc(CN2CCCN(Cc3cccc(C(=O)[O-])c3)CC2)cs1 ZINC000820697001 601610695 /nfs/dbraw/zinc/61/06/95/601610695.db2.gz OWZGIXSAWLHEQM-OAHLLOKOSA-N -1 3 389.521 3.257 20 0 GGADHM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827460743 601628622 /nfs/dbraw/zinc/62/86/22/601628622.db2.gz AMNZCPDTDUZEMT-KRWDZBQOSA-N -1 3 386.467 3.247 20 0 GGADHM O=C([O-])c1ccc(CCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000833102963 601630784 /nfs/dbraw/zinc/63/07/84/601630784.db2.gz YXTCYLBYTHDQBR-UHFFFAOYSA-N -1 3 396.487 3.160 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCCN(Cc2nccn2C(C)C)CC1 ZINC000833032954 601631107 /nfs/dbraw/zinc/63/11/07/601631107.db2.gz QSZPVVKVAYGKBO-UHFFFAOYSA-N -1 3 376.526 3.240 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000826055038 601650008 /nfs/dbraw/zinc/65/00/08/601650008.db2.gz UVPJGBZGESZVQQ-WBMJQRKESA-N -1 3 383.416 3.235 20 0 GGADHM C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000827581982 601650394 /nfs/dbraw/zinc/65/03/94/601650394.db2.gz WBTDUNCPGMVVHH-LAPQFRIASA-N -1 3 390.430 3.064 20 0 GGADHM COc1ccc(Cl)cc1CNC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832368116 601651055 /nfs/dbraw/zinc/65/10/55/601651055.db2.gz UARLBBZIDODQBS-DJJJIMSYSA-N -1 3 390.867 3.016 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000826045200 601652893 /nfs/dbraw/zinc/65/28/93/601652893.db2.gz QKHDVGXBSKGSDE-YJYMSZOUSA-N -1 3 392.858 3.489 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000826045633 601657363 /nfs/dbraw/zinc/65/73/63/601657363.db2.gz VOBFWXXNSXEENH-QRQCRPRQSA-N -1 3 391.471 3.104 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000830923500 601702270 /nfs/dbraw/zinc/70/22/70/601702270.db2.gz LFWSADXURZZAJZ-UHFFFAOYSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827585883 601727603 /nfs/dbraw/zinc/72/76/03/601727603.db2.gz CIWSKBUCZRGNPF-SBUREZEXSA-N -1 3 398.478 3.240 20 0 GGADHM C[C@H](Cc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827593022 601727907 /nfs/dbraw/zinc/72/79/07/601727907.db2.gz YVAYCXHXCBZLIN-JPYJTQIMSA-N -1 3 380.488 3.101 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@H]2CSc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC000833128986 601729802 /nfs/dbraw/zinc/72/98/02/601729802.db2.gz QLQFIUVCCCWCDX-AVRDEDQJSA-N -1 3 396.512 3.112 20 0 GGADHM O=C(CSc1ccccc1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833116121 601730012 /nfs/dbraw/zinc/73/00/12/601730012.db2.gz LVRXLIBMFQUNKI-NRFANRHFSA-N -1 3 384.501 3.014 20 0 GGADHM CSCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832770749 601731155 /nfs/dbraw/zinc/73/11/55/601731155.db2.gz DQTONWDFUPAERU-QFIPXVFZSA-N -1 3 398.528 3.399 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cc(Cl)c(Cl)[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128959 601731546 /nfs/dbraw/zinc/73/15/46/601731546.db2.gz PVWWJOLWLFWCGO-SFHVURJKSA-N -1 3 396.274 3.171 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc3ccccc3n2)CCCN(Cc2ccccc2)C1 ZINC000833128443 601731552 /nfs/dbraw/zinc/73/15/52/601731552.db2.gz GNIIKDVSRHQWBM-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc3ccccc3n2)CCCN(Cc2ccccc2)C1 ZINC000833128441 601731755 /nfs/dbraw/zinc/73/17/55/601731755.db2.gz GNIIKDVSRHQWBM-HSZRJFAPSA-N -1 3 389.455 3.084 20 0 GGADHM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC000825995041 601732620 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O=C([O-])[C@@]1(NC(=O)C2(Cc3ccccc3)CC2)CCCN(Cc2ccccc2)C1 ZINC000833128209 601741567 /nfs/dbraw/zinc/74/15/67/601741567.db2.gz BEGBXUHHKRIKQT-XMMPIXPASA-N -1 3 392.499 3.245 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cc3c(cccc3F)[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128611 601777066 /nfs/dbraw/zinc/77/70/66/601777066.db2.gz JXMWYZJMXOCMSZ-QFIPXVFZSA-N -1 3 395.434 3.156 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2cccc3cc[nH]c32)CCCN(Cc2ccccc2)C1 ZINC000833128686 601778086 /nfs/dbraw/zinc/77/80/86/601778086.db2.gz LRUINGGBKIEUPE-JOCHJYFZSA-N -1 3 377.444 3.017 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc3cc[nH]c32)CCCN(Cc2ccccc2)C1 ZINC000833128688 601778120 /nfs/dbraw/zinc/77/81/20/601778120.db2.gz LRUINGGBKIEUPE-QFIPXVFZSA-N -1 3 377.444 3.017 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc3[nH]ccc32)CCCN(Cc2ccccc2)C1 ZINC000833128502 601778279 /nfs/dbraw/zinc/77/82/79/601778279.db2.gz IDHNTEMPBZRUDV-QFIPXVFZSA-N -1 3 377.444 3.017 20 0 GGADHM Cc1ccc(CNC(=O)C2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1F ZINC000832932626 601807925 /nfs/dbraw/zinc/80/79/25/601807925.db2.gz RSKJDBXDVDDQCW-UHFFFAOYSA-N -1 3 390.480 3.422 20 0 GGADHM CC[C@H](C)[C@H](NCc1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000828740721 601832221 /nfs/dbraw/zinc/83/22/21/601832221.db2.gz WRHOLDPBMAFLEZ-YWZLYKJASA-N -1 3 398.507 3.456 20 0 GGADHM CN(C(=O)[C@H](Cc1ccccc1)NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000830518472 601834406 /nfs/dbraw/zinc/83/44/06/601834406.db2.gz CPOYWILKNUDNDT-IBGZPJMESA-N -1 3 377.444 3.077 20 0 GGADHM O=C([O-])CCC1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000662218723 601842655 /nfs/dbraw/zinc/84/26/55/601842655.db2.gz TXKOTXKKDWJBHY-QGZVFWFLSA-N -1 3 396.434 3.360 20 0 GGADHM O=C([O-])CCC1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000662218722 601842791 /nfs/dbraw/zinc/84/27/91/601842791.db2.gz TXKOTXKKDWJBHY-KRWDZBQOSA-N -1 3 396.434 3.360 20 0 GGADHM CC(C)C1CCC(N2CCN(CC(=O)Nc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000826727363 601843534 /nfs/dbraw/zinc/84/35/34/601843534.db2.gz MUYRTGOXCQYBGM-UHFFFAOYSA-N -1 3 387.524 3.156 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)c1ccsc1 ZINC000666516340 601849330 /nfs/dbraw/zinc/84/93/30/601849330.db2.gz LWOJJSGDYHGHHG-KRWDZBQOSA-N -1 3 375.494 3.329 20 0 GGADHM O=C([O-])c1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1F ZINC000833098971 601849922 /nfs/dbraw/zinc/84/99/22/601849922.db2.gz VWINBDSZMLANDO-UHFFFAOYSA-N -1 3 385.439 3.065 20 0 GGADHM C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000827742016 601852400 /nfs/dbraw/zinc/85/24/00/601852400.db2.gz ZRLWMILCILYBNR-LBPRGKRZSA-N -1 3 399.871 3.329 20 0 GGADHM C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000827741674 601852411 /nfs/dbraw/zinc/85/24/11/601852411.db2.gz PQHCIFDHDJDMRC-ZDUSSCGKSA-N -1 3 381.881 3.190 20 0 GGADHM Cc1ccc(C)c([C@@H](C)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c1 ZINC000832926468 601853329 /nfs/dbraw/zinc/85/33/29/601853329.db2.gz VLYDTLYJOWFZDF-MRXNPFEDSA-N -1 3 375.490 3.154 20 0 GGADHM COc1cc(-c2noc(CNc3cccc(-c4nnn[n-]4)c3C)n2)ccc1C ZINC000826176521 607530590 /nfs/dbraw/zinc/53/05/90/607530590.db2.gz STEZSWGGJBXJFX-UHFFFAOYSA-N -1 3 377.408 3.154 20 0 GGADHM COc1cc(-c2noc(CNc3cccc(-c4nn[n-]n4)c3C)n2)ccc1C ZINC000826176521 607530591 /nfs/dbraw/zinc/53/05/91/607530591.db2.gz STEZSWGGJBXJFX-UHFFFAOYSA-N -1 3 377.408 3.154 20 0 GGADHM O=C([O-])c1cccc(N2CC(=O)N(CN3CCC[C@@H]3C3CCCCC3)C2=O)c1 ZINC000833330626 601876660 /nfs/dbraw/zinc/87/66/60/601876660.db2.gz XNJHDKRZDKTRKL-GOSISDBHSA-N -1 3 385.464 3.156 20 0 GGADHM COc1cccc(NC(=O)CCN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832561940 601902020 /nfs/dbraw/zinc/90/20/20/601902020.db2.gz HGUXQXCSJNZUAW-GOSISDBHSA-N -1 3 396.365 3.199 20 0 GGADHM CN(CCC(=O)Nc1ccc(F)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727055 601902430 /nfs/dbraw/zinc/90/24/30/601902430.db2.gz HQUYBNIBCNXWKG-QGZVFWFLSA-N -1 3 384.329 3.329 20 0 GGADHM CCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825444653 607533115 /nfs/dbraw/zinc/53/31/15/607533115.db2.gz QDVAUDDSJXZCBZ-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM CCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825444653 607533117 /nfs/dbraw/zinc/53/31/17/607533117.db2.gz QDVAUDDSJXZCBZ-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826021807 601917476 /nfs/dbraw/zinc/91/74/76/601917476.db2.gz SYPHVNZSCGPLPE-VLIAUNLRSA-N -1 3 388.464 3.242 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000828178035 601930682 /nfs/dbraw/zinc/93/06/82/601930682.db2.gz YZVOAJWBHIAJSD-MGPUTAFESA-N -1 3 379.460 3.073 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000263215252 601937994 /nfs/dbraw/zinc/93/79/94/601937994.db2.gz XIJBSLRRKMMROW-PZJWPPBQSA-N -1 3 386.879 3.342 20 0 GGADHM COc1ccc(CS[C@H](C)c2cn(-c3ccccc3)nn2)cc1-c1nnn[n-]1 ZINC000826207621 607535510 /nfs/dbraw/zinc/53/55/10/607535510.db2.gz VTHJHTLMWINJKC-CYBMUJFWSA-N -1 3 393.476 3.450 20 0 GGADHM COc1ccc(CS[C@H](C)c2cn(-c3ccccc3)nn2)cc1-c1nn[n-]n1 ZINC000826207621 607535512 /nfs/dbraw/zinc/53/55/12/607535512.db2.gz VTHJHTLMWINJKC-CYBMUJFWSA-N -1 3 393.476 3.450 20 0 GGADHM CN1CCC(NC(=S)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CC1 ZINC000830927943 601954293 /nfs/dbraw/zinc/95/42/93/601954293.db2.gz FQNZWMJDFCQQLO-UHFFFAOYSA-N -1 3 399.516 3.344 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC[C@@H](C)c1ccccc1 ZINC000826158635 607532445 /nfs/dbraw/zinc/53/24/45/607532445.db2.gz WUUQMJPNZOHFDG-QGZVFWFLSA-N -1 3 393.491 3.426 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC[C@@H](C)c1ccccc1 ZINC000826158635 607532446 /nfs/dbraw/zinc/53/24/46/607532446.db2.gz WUUQMJPNZOHFDG-QGZVFWFLSA-N -1 3 393.491 3.426 20 0 GGADHM O=C([O-])[C@@H](NCCNC(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000833141352 601973940 /nfs/dbraw/zinc/97/39/40/601973940.db2.gz VHGRPMCSRWOJQG-HNNXBMFYSA-N -1 3 385.222 3.278 20 0 GGADHM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2cc3ccccc3s2)cc1 ZINC000833263101 601976295 /nfs/dbraw/zinc/97/62/95/601976295.db2.gz HASBLJYSPXRHRF-UHFFFAOYSA-N -1 3 389.498 3.191 20 0 GGADHM COc1cc(Br)cc(OC)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826176988 607537605 /nfs/dbraw/zinc/53/76/05/607537605.db2.gz MVSLUWGHMZXYMS-UHFFFAOYSA-N -1 3 391.225 3.225 20 0 GGADHM COc1cc(Br)cc(OC)c1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826176988 607537606 /nfs/dbraw/zinc/53/76/06/607537606.db2.gz MVSLUWGHMZXYMS-UHFFFAOYSA-N -1 3 391.225 3.225 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC000828168094 602023348 /nfs/dbraw/zinc/02/33/48/602023348.db2.gz MHAGKGQSDOVTDT-AEFFLSMTSA-N -1 3 391.471 3.119 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc(Cl)c2F)CCCN(Cc2ccccc2)C1 ZINC000833128628 602033849 /nfs/dbraw/zinc/03/38/49/602033849.db2.gz KJPDECFJERPCDV-FQEVSTJZSA-N -1 3 390.842 3.328 20 0 GGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000833137497 602035321 /nfs/dbraw/zinc/03/53/21/602035321.db2.gz APIFEUDPSMQNNN-LRDDRELGSA-N -1 3 385.291 3.357 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828178040 602039288 /nfs/dbraw/zinc/03/92/88/602039288.db2.gz ZAUTWLXSKURISR-OXQOHEQNSA-N -1 3 381.476 3.488 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176829 602041658 /nfs/dbraw/zinc/04/16/58/602041658.db2.gz LCOFQUCAQNMIKM-DNVCBOLYSA-N -1 3 382.464 3.239 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176833 602041898 /nfs/dbraw/zinc/04/18/98/602041898.db2.gz LCOFQUCAQNMIKM-KXBFYZLASA-N -1 3 382.464 3.239 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176827 602041973 /nfs/dbraw/zinc/04/19/73/602041973.db2.gz LCOFQUCAQNMIKM-BEFAXECRSA-N -1 3 382.464 3.239 20 0 GGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000833170715 602044611 /nfs/dbraw/zinc/04/46/11/602044611.db2.gz JARWNLORDVTUTG-SJORKVTESA-N -1 3 387.307 3.306 20 0 GGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000833170712 602044632 /nfs/dbraw/zinc/04/46/32/602044632.db2.gz JARWNLORDVTUTG-DLBZAZTESA-N -1 3 387.307 3.306 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863255 602049373 /nfs/dbraw/zinc/04/93/73/602049373.db2.gz MJAWOKPOUKBQAH-YLJYHZDGSA-N -1 3 396.487 3.160 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)c2cccs2)CC1 ZINC000263142455 602055561 /nfs/dbraw/zinc/05/55/61/602055561.db2.gz ZXPDCZAJXYCZQF-KXBFYZLASA-N -1 3 379.526 3.027 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826300930 607545452 /nfs/dbraw/zinc/54/54/52/607545452.db2.gz LQPPVPQQGGXRSO-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826300930 607545454 /nfs/dbraw/zinc/54/54/54/607545454.db2.gz LQPPVPQQGGXRSO-LBPRGKRZSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000826282987 607545557 /nfs/dbraw/zinc/54/55/57/607545557.db2.gz HRMYIYWYSCJACZ-OAHLLOKOSA-N -1 3 385.493 3.174 20 0 GGADHM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000826282987 607545558 /nfs/dbraw/zinc/54/55/58/607545558.db2.gz HRMYIYWYSCJACZ-OAHLLOKOSA-N -1 3 385.493 3.174 20 0 GGADHM COC[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000826151175 607549900 /nfs/dbraw/zinc/54/99/00/607549900.db2.gz VLMNLFBJCXGPIF-QGZVFWFLSA-N -1 3 395.488 3.173 20 0 GGADHM COC[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000826151175 607549901 /nfs/dbraw/zinc/54/99/01/607549901.db2.gz VLMNLFBJCXGPIF-QGZVFWFLSA-N -1 3 395.488 3.173 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826474629 607550967 /nfs/dbraw/zinc/55/09/67/607550967.db2.gz YGLBHSPPHRJUSU-CVEARBPZSA-N -1 3 389.459 3.032 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826474629 607550969 /nfs/dbraw/zinc/55/09/69/607550969.db2.gz YGLBHSPPHRJUSU-CVEARBPZSA-N -1 3 389.459 3.032 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826474632 607551151 /nfs/dbraw/zinc/55/11/51/607551151.db2.gz YGLBHSPPHRJUSU-JKSUJKDBSA-N -1 3 389.459 3.032 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826474632 607551152 /nfs/dbraw/zinc/55/11/52/607551152.db2.gz YGLBHSPPHRJUSU-JKSUJKDBSA-N -1 3 389.459 3.032 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccc(NC(=O)C(C)C)cc2)C(=O)[O-])c1 ZINC000832058284 602165947 /nfs/dbraw/zinc/16/59/47/602165947.db2.gz YCPQTCOQIVNZAR-LJQANCHMSA-N -1 3 386.448 3.214 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(OC)c(OC)c2)C(=O)[O-])c1 ZINC000832048995 602166539 /nfs/dbraw/zinc/16/65/39/602166539.db2.gz CEQMALNHHDHNKR-CWTRNNRKSA-N -1 3 375.421 3.198 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc3c(c2)CCC(=O)N3)C(=O)[O-])c1 ZINC000832049871 602166717 /nfs/dbraw/zinc/16/67/17/602166717.db2.gz KVDUEXFCELHYEE-MPBGBICISA-N -1 3 384.432 3.065 20 0 GGADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)C(=O)[O-])c1 ZINC000832049868 602166809 /nfs/dbraw/zinc/16/68/09/602166809.db2.gz KVDUEXFCELHYEE-FKIZINRSSA-N -1 3 384.432 3.065 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccc(N3CCCCCC3)nc2)C(=O)[O-])c1 ZINC000832056883 602167320 /nfs/dbraw/zinc/16/73/20/602167320.db2.gz JTOWUZHLWHUHNL-NRFANRHFSA-N -1 3 399.491 3.395 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccc(N3CCC(C)CC3)nc2)C(=O)[O-])c1 ZINC000832057566 602167353 /nfs/dbraw/zinc/16/73/53/602167353.db2.gz QCWVNODGAKWQNP-NRFANRHFSA-N -1 3 399.491 3.251 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@@H]2CCCc3c2cnn3C(C)(C)C)C(=O)[O-])c1 ZINC000832048861 602173740 /nfs/dbraw/zinc/17/37/40/602173740.db2.gz BLDARYMMQJZOCI-MJGOQNOKSA-N -1 3 387.480 3.448 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825042903 607548581 /nfs/dbraw/zinc/54/85/81/607548581.db2.gz BVLDZARGURNOFK-UHFFFAOYSA-N -1 3 394.479 3.406 20 0 GGADHM CCC(C)(C)NC(=O)c1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825042903 607548582 /nfs/dbraw/zinc/54/85/82/607548582.db2.gz BVLDZARGURNOFK-UHFFFAOYSA-N -1 3 394.479 3.406 20 0 GGADHM COc1ccc([C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccc(F)cc2)cc1 ZINC000826189118 607549125 /nfs/dbraw/zinc/54/91/25/607549125.db2.gz NWQAIVBBRGMZNJ-FQEVSTJZSA-N -1 3 390.422 3.289 20 0 GGADHM Cc1ccc(NC(=O)Cc2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000832943896 602228859 /nfs/dbraw/zinc/22/88/59/602228859.db2.gz MPBRYHNJXPHSRC-QGZVFWFLSA-N -1 3 375.494 3.222 20 0 GGADHM Cc1oc(NC(=O)COC(=O)CC[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826342705 607553624 /nfs/dbraw/zinc/55/36/24/607553624.db2.gz WRQHZOOVDBPPCA-LBPRGKRZSA-N -1 3 397.435 3.142 20 0 GGADHM O=C(NCc1ccc(Sc2ccccc2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826442286 607553816 /nfs/dbraw/zinc/55/38/16/607553816.db2.gz POAPDRNLXXANSU-UHFFFAOYSA-N -1 3 376.445 3.276 20 0 GGADHM O=C(NCc1ccc(Sc2ccccc2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826442286 607553817 /nfs/dbraw/zinc/55/38/17/607553817.db2.gz POAPDRNLXXANSU-UHFFFAOYSA-N -1 3 376.445 3.276 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000826199011 607558188 /nfs/dbraw/zinc/55/81/88/607558188.db2.gz OQQYYDACVAHNCQ-SECBINFHSA-N -1 3 392.872 3.151 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000826199011 607558191 /nfs/dbraw/zinc/55/81/91/607558191.db2.gz OQQYYDACVAHNCQ-SECBINFHSA-N -1 3 392.872 3.151 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C[C@H](O)C(C)C)cc1 ZINC000826176161 607558333 /nfs/dbraw/zinc/55/83/33/607558333.db2.gz DUTRCPQPZSBWGK-INIZCTEOSA-N -1 3 397.435 3.013 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C[C@H](O)C(C)C)cc1 ZINC000826176161 607558336 /nfs/dbraw/zinc/55/83/36/607558336.db2.gz DUTRCPQPZSBWGK-INIZCTEOSA-N -1 3 397.435 3.013 20 0 GGADHM CC1CCN([C@@H](CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)c2cccs2)CC1 ZINC000828285205 602365061 /nfs/dbraw/zinc/36/50/61/602365061.db2.gz LOISXVLCOFVWQN-INIZCTEOSA-N -1 3 390.509 3.380 20 0 GGADHM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830500149 602365334 /nfs/dbraw/zinc/36/53/34/602365334.db2.gz LWERWSUGSZRWGS-HXUWFJFHSA-N -1 3 381.476 3.442 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)N1CCc2ccccc2C1 ZINC000828884690 602375721 /nfs/dbraw/zinc/37/57/21/602375721.db2.gz YYLOXSWENLZENO-KRWDZBQOSA-N -1 3 385.439 3.482 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830604057 602381927 /nfs/dbraw/zinc/38/19/27/602381927.db2.gz FFNQNWOHKRAEFZ-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2)CC1 ZINC000826966377 602403166 /nfs/dbraw/zinc/40/31/66/602403166.db2.gz PUUYPSDSXWFIGT-UHFFFAOYSA-N -1 3 385.439 3.307 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825783034 607565487 /nfs/dbraw/zinc/56/54/87/607565487.db2.gz ZDRQNADQIHNVNM-HNNXBMFYSA-N -1 3 383.431 3.335 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825783034 607565489 /nfs/dbraw/zinc/56/54/89/607565489.db2.gz ZDRQNADQIHNVNM-HNNXBMFYSA-N -1 3 383.431 3.335 20 0 GGADHM COc1ccc(CNC(=O)N2CCC3(CCCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826197899 607574373 /nfs/dbraw/zinc/57/43/73/607574373.db2.gz GMHIOBKOJQNWSE-UHFFFAOYSA-N -1 3 384.484 3.131 20 0 GGADHM COc1ccc(CNC(=O)N2CCC3(CCCCC3)CC2)cc1-c1nn[n-]n1 ZINC000826197899 607574376 /nfs/dbraw/zinc/57/43/76/607574376.db2.gz GMHIOBKOJQNWSE-UHFFFAOYSA-N -1 3 384.484 3.131 20 0 GGADHM CCCN(Cc1ccccc1F)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825323105 607576391 /nfs/dbraw/zinc/57/63/91/607576391.db2.gz OMTXUFVYTQDPJK-UHFFFAOYSA-N -1 3 398.442 3.136 20 0 GGADHM CCCN(Cc1ccccc1F)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825323105 607576392 /nfs/dbraw/zinc/57/63/92/607576392.db2.gz OMTXUFVYTQDPJK-UHFFFAOYSA-N -1 3 398.442 3.136 20 0 GGADHM O=S(=O)(Oc1ccc(Cl)cc1F)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826493365 607579413 /nfs/dbraw/zinc/57/94/13/607579413.db2.gz HKQUHYYYNRXNIT-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000737330867 602668756 /nfs/dbraw/zinc/66/87/56/602668756.db2.gz UMHOVBSMNMGYHW-UHFFFAOYSA-N -1 3 397.479 3.342 20 0 GGADHM CCC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825028495 607580199 /nfs/dbraw/zinc/58/01/99/607580199.db2.gz IKJLFIKFPVCXJE-SEYXRHQNSA-N -1 3 381.411 3.471 20 0 GGADHM CCC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825028495 607580201 /nfs/dbraw/zinc/58/02/01/607580201.db2.gz IKJLFIKFPVCXJE-SEYXRHQNSA-N -1 3 381.411 3.471 20 0 GGADHM COc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826196257 607580920 /nfs/dbraw/zinc/58/09/20/607580920.db2.gz VWWRZMANPFLUKH-ROUUACIJSA-N -1 3 391.475 3.419 20 0 GGADHM COc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826196257 607580922 /nfs/dbraw/zinc/58/09/22/607580922.db2.gz VWWRZMANPFLUKH-ROUUACIJSA-N -1 3 391.475 3.419 20 0 GGADHM COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826196258 607581089 /nfs/dbraw/zinc/58/10/89/607581089.db2.gz VWWRZMANPFLUKH-ZWKOTPCHSA-N -1 3 391.475 3.419 20 0 GGADHM COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826196258 607581091 /nfs/dbraw/zinc/58/10/91/607581091.db2.gz VWWRZMANPFLUKH-ZWKOTPCHSA-N -1 3 391.475 3.419 20 0 GGADHM Cc1c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000826284414 607588187 /nfs/dbraw/zinc/58/81/87/607588187.db2.gz SLUIXKZMMVSPQQ-UHFFFAOYSA-N -1 3 387.447 3.159 20 0 GGADHM Cc1c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000826284414 607588190 /nfs/dbraw/zinc/58/81/90/607588190.db2.gz SLUIXKZMMVSPQQ-UHFFFAOYSA-N -1 3 387.447 3.159 20 0 GGADHM COc1ccc(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826195667 607589315 /nfs/dbraw/zinc/58/93/15/607589315.db2.gz BMVPFLYHNDCMGL-UHFFFAOYSA-N -1 3 399.882 3.414 20 0 GGADHM COc1ccc(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826195667 607589317 /nfs/dbraw/zinc/58/93/17/607589317.db2.gz BMVPFLYHNDCMGL-UHFFFAOYSA-N -1 3 399.882 3.414 20 0 GGADHM COc1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cc1-c1nnn[n-]1 ZINC000826200670 607586095 /nfs/dbraw/zinc/58/60/95/607586095.db2.gz CEJIOKAZMKAPJH-UHFFFAOYSA-N -1 3 383.477 3.136 20 0 GGADHM COc1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cc1-c1nn[n-]n1 ZINC000826200670 607586096 /nfs/dbraw/zinc/58/60/96/607586096.db2.gz CEJIOKAZMKAPJH-UHFFFAOYSA-N -1 3 383.477 3.136 20 0 GGADHM COc1ccc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1-c1nnn[n-]1 ZINC000826196163 607592128 /nfs/dbraw/zinc/59/21/28/607592128.db2.gz RYQVOLBYZSTOHY-UBWJNLJSSA-N -1 3 395.507 3.488 20 0 GGADHM COc1ccc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1-c1nn[n-]n1 ZINC000826196163 607592130 /nfs/dbraw/zinc/59/21/30/607592130.db2.gz RYQVOLBYZSTOHY-UBWJNLJSSA-N -1 3 395.507 3.488 20 0 GGADHM COc1ccc(COC(=O)CCC(=O)c2cc(C)ccc2C)cc1-c1nnn[n-]1 ZINC000826205055 607593306 /nfs/dbraw/zinc/59/33/06/607593306.db2.gz IPUSUBJOYRZJJR-UHFFFAOYSA-N -1 3 394.431 3.198 20 0 GGADHM COc1ccc(COC(=O)CCC(=O)c2cc(C)ccc2C)cc1-c1nn[n-]n1 ZINC000826205055 607593308 /nfs/dbraw/zinc/59/33/08/607593308.db2.gz IPUSUBJOYRZJJR-UHFFFAOYSA-N -1 3 394.431 3.198 20 0 GGADHM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826298696 607611645 /nfs/dbraw/zinc/61/16/45/607611645.db2.gz DNBQNNHPSBLZQF-UHFFFAOYSA-N -1 3 391.884 3.432 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(CN[C@H]3CCCN(C(=O)[O-])C3)c2)cc1 ZINC000737932368 603246646 /nfs/dbraw/zinc/24/66/46/603246646.db2.gz RUUXNVKVYOAGFI-SFHVURJKSA-N -1 3 383.448 3.180 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000825971478 607621656 /nfs/dbraw/zinc/62/16/56/607621656.db2.gz HYTQNLLBVYCJOK-UHFFFAOYSA-N -1 3 398.377 3.275 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000825971478 607621657 /nfs/dbraw/zinc/62/16/57/607621657.db2.gz HYTQNLLBVYCJOK-UHFFFAOYSA-N -1 3 398.377 3.275 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826197121 607624694 /nfs/dbraw/zinc/62/46/94/607624694.db2.gz ALAXQDPBTZHUJG-GOSISDBHSA-N -1 3 392.463 3.094 20 0 GGADHM COc1ccc(CNC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826197121 607624695 /nfs/dbraw/zinc/62/46/95/607624695.db2.gz ALAXQDPBTZHUJG-GOSISDBHSA-N -1 3 392.463 3.094 20 0 GGADHM COc1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1-c1nnn[n-]1 ZINC000826201108 607628412 /nfs/dbraw/zinc/62/84/12/607628412.db2.gz YLPDSVSTTJWYGI-UHFFFAOYSA-N -1 3 378.219 3.112 20 0 GGADHM COc1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1-c1nn[n-]n1 ZINC000826201108 607628414 /nfs/dbraw/zinc/62/84/14/607628414.db2.gz YLPDSVSTTJWYGI-UHFFFAOYSA-N -1 3 378.219 3.112 20 0 GGADHM O=C1[C@H](N2CC[C@@H]2c2ccc(Cl)cc2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477268 607638277 /nfs/dbraw/zinc/63/82/77/607638277.db2.gz YSURLNLXPRLALT-QZTJIDSGSA-N -1 3 394.866 3.072 20 0 GGADHM O=C1[C@H](N2CC[C@@H]2c2ccc(Cl)cc2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477268 607638278 /nfs/dbraw/zinc/63/82/78/607638278.db2.gz YSURLNLXPRLALT-QZTJIDSGSA-N -1 3 394.866 3.072 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@H]2c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1C ZINC000826341391 607638416 /nfs/dbraw/zinc/63/84/16/607638416.db2.gz GMVKYKGGVQTSOU-AWEZNQCLSA-N -1 3 386.843 3.115 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826286176 607645513 /nfs/dbraw/zinc/64/55/13/607645513.db2.gz ULVLAPKRHHZKQS-KRWDZBQOSA-N -1 3 383.477 3.091 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826286176 607645514 /nfs/dbraw/zinc/64/55/14/607645514.db2.gz ULVLAPKRHHZKQS-KRWDZBQOSA-N -1 3 383.477 3.091 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000826244952 607653306 /nfs/dbraw/zinc/65/33/06/607653306.db2.gz IVDUMQMOQWHJBO-UHFFFAOYSA-N -1 3 387.447 3.071 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000826244952 607653307 /nfs/dbraw/zinc/65/33/07/607653307.db2.gz IVDUMQMOQWHJBO-UHFFFAOYSA-N -1 3 387.447 3.071 20 0 GGADHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826210965 607651473 /nfs/dbraw/zinc/65/14/73/607651473.db2.gz KWDSJYARYXSAMP-SFHVURJKSA-N -1 3 393.447 3.170 20 0 GGADHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826210965 607651475 /nfs/dbraw/zinc/65/14/75/607651475.db2.gz KWDSJYARYXSAMP-SFHVURJKSA-N -1 3 393.447 3.170 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1sccc1C ZINC000826158349 607661359 /nfs/dbraw/zinc/66/13/59/607661359.db2.gz LTDBPNVMQNYGNC-UHFFFAOYSA-N -1 3 399.520 3.235 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1sccc1C ZINC000826158349 607661361 /nfs/dbraw/zinc/66/13/61/607661361.db2.gz LTDBPNVMQNYGNC-UHFFFAOYSA-N -1 3 399.520 3.235 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000826248322 607664881 /nfs/dbraw/zinc/66/48/81/607664881.db2.gz DLVXGZDHSPZNSE-UHFFFAOYSA-N -1 3 391.353 3.003 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000826248322 607664883 /nfs/dbraw/zinc/66/48/83/607664883.db2.gz DLVXGZDHSPZNSE-UHFFFAOYSA-N -1 3 391.353 3.003 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000826250269 607667505 /nfs/dbraw/zinc/66/75/05/607667505.db2.gz SJJYICAUKHHAHF-UHFFFAOYSA-N -1 3 384.390 3.306 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000826250269 607667509 /nfs/dbraw/zinc/66/75/09/607667509.db2.gz SJJYICAUKHHAHF-UHFFFAOYSA-N -1 3 384.390 3.306 20 0 GGADHM COCCCCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826156040 607669889 /nfs/dbraw/zinc/66/98/89/607669889.db2.gz NKLQYDBZBTWKMY-UHFFFAOYSA-N -1 3 379.464 3.244 20 0 GGADHM COCCCCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826156040 607669890 /nfs/dbraw/zinc/66/98/90/607669890.db2.gz NKLQYDBZBTWKMY-UHFFFAOYSA-N -1 3 379.464 3.244 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1ccc(Br)cc1F ZINC000826243352 607669967 /nfs/dbraw/zinc/66/99/67/607669967.db2.gz FFYOPSWAWDGGAY-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1ccc(Br)cc1F ZINC000826243352 607669968 /nfs/dbraw/zinc/66/99/68/607669968.db2.gz FFYOPSWAWDGGAY-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000826248523 607670409 /nfs/dbraw/zinc/67/04/09/607670409.db2.gz MOCUPAYLFPKKTQ-IEBWSBKVSA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000826248523 607670410 /nfs/dbraw/zinc/67/04/10/607670410.db2.gz MOCUPAYLFPKKTQ-IEBWSBKVSA-N -1 3 377.448 3.073 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000826247795 607670436 /nfs/dbraw/zinc/67/04/36/607670436.db2.gz OHWIFCFHGZIZGB-INIZCTEOSA-N -1 3 398.264 3.355 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000826247795 607670439 /nfs/dbraw/zinc/67/04/39/607670439.db2.gz OHWIFCFHGZIZGB-INIZCTEOSA-N -1 3 398.264 3.355 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000826246880 607678375 /nfs/dbraw/zinc/67/83/75/607678375.db2.gz ODUYVHPVKKJFGC-HOCLYGCPSA-N -1 3 387.365 3.480 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000826246880 607678377 /nfs/dbraw/zinc/67/83/77/607678377.db2.gz ODUYVHPVKKJFGC-HOCLYGCPSA-N -1 3 387.365 3.480 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000826249180 607678644 /nfs/dbraw/zinc/67/86/44/607678644.db2.gz PGHIODRYPGBMBX-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000826249180 607678645 /nfs/dbraw/zinc/67/86/45/607678645.db2.gz PGHIODRYPGBMBX-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000826250221 607680754 /nfs/dbraw/zinc/68/07/54/607680754.db2.gz QAHFUEUBAWIMSU-UHFFFAOYSA-N -1 3 386.419 3.090 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826268354 607681410 /nfs/dbraw/zinc/68/14/10/607681410.db2.gz TZNDXZDGTSYMOF-ZIAGYGMSSA-N -1 3 382.443 3.115 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826268354 607681412 /nfs/dbraw/zinc/68/14/12/607681412.db2.gz TZNDXZDGTSYMOF-ZIAGYGMSSA-N -1 3 382.443 3.115 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000826245605 607684697 /nfs/dbraw/zinc/68/46/97/607684697.db2.gz CMUBBZADZCGUOV-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000826245605 607684699 /nfs/dbraw/zinc/68/46/99/607684699.db2.gz CMUBBZADZCGUOV-QGZVFWFLSA-N -1 3 383.839 3.042 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000826247002 607684834 /nfs/dbraw/zinc/68/48/34/607684834.db2.gz QYWNBEYILBGEQH-MRXNPFEDSA-N -1 3 376.445 3.151 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000826247002 607684836 /nfs/dbraw/zinc/68/48/36/607684836.db2.gz QYWNBEYILBGEQH-MRXNPFEDSA-N -1 3 376.445 3.151 20 0 GGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826220857 607685054 /nfs/dbraw/zinc/68/50/54/607685054.db2.gz DADSGOIFMQDYHA-CYBMUJFWSA-N -1 3 397.504 3.342 20 0 GGADHM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826220857 607685056 /nfs/dbraw/zinc/68/50/56/607685056.db2.gz DADSGOIFMQDYHA-CYBMUJFWSA-N -1 3 397.504 3.342 20 0 GGADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000825479197 604330084 /nfs/dbraw/zinc/33/00/84/604330084.db2.gz LDGFHQYEQXGFQY-GOEBONIOSA-N -1 3 380.510 3.196 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000825479195 604330113 /nfs/dbraw/zinc/33/01/13/604330113.db2.gz LDGFHQYEQXGFQY-GDBMZVCRSA-N -1 3 380.510 3.196 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccc(OCC(C)C)cc1 ZINC000826248644 607686672 /nfs/dbraw/zinc/68/66/72/607686672.db2.gz QVVNJMQPUBXUIY-UHFFFAOYSA-N -1 3 379.464 3.182 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccc(OCC(C)C)cc1 ZINC000826248644 607686674 /nfs/dbraw/zinc/68/66/74/607686674.db2.gz QVVNJMQPUBXUIY-UHFFFAOYSA-N -1 3 379.464 3.182 20 0 GGADHM O=C1[C@@H](Nc2cccc3ccsc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477563 607688284 /nfs/dbraw/zinc/68/82/84/607688284.db2.gz GRWGIXXLXUMTBV-INIZCTEOSA-N -1 3 376.445 3.299 20 0 GGADHM O=C1[C@@H](Nc2cccc3ccsc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477563 607688285 /nfs/dbraw/zinc/68/82/85/607688285.db2.gz GRWGIXXLXUMTBV-INIZCTEOSA-N -1 3 376.445 3.299 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000826088826 604374745 /nfs/dbraw/zinc/37/47/45/604374745.db2.gz CDTJMHBDYNSNDQ-VQTJNVASSA-N -1 3 395.503 3.262 20 0 GGADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455457 607689857 /nfs/dbraw/zinc/68/98/57/607689857.db2.gz OXXFUSBBCXGQOS-UHFFFAOYSA-N -1 3 377.433 3.134 20 0 GGADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455457 607689859 /nfs/dbraw/zinc/68/98/59/607689859.db2.gz OXXFUSBBCXGQOS-UHFFFAOYSA-N -1 3 377.433 3.134 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000826248440 607690075 /nfs/dbraw/zinc/69/00/75/607690075.db2.gz JANAPGFQTAYRTB-FQEVSTJZSA-N -1 3 391.475 3.389 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000826248440 607690077 /nfs/dbraw/zinc/69/00/77/607690077.db2.gz JANAPGFQTAYRTB-FQEVSTJZSA-N -1 3 391.475 3.389 20 0 GGADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)cs1 ZINC000826322377 607691900 /nfs/dbraw/zinc/69/19/00/607691900.db2.gz KBNVFSAKMBLJNQ-SNVBAGLBSA-N -1 3 379.449 3.118 20 0 GGADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)cs1 ZINC000826322377 607691902 /nfs/dbraw/zinc/69/19/02/607691902.db2.gz KBNVFSAKMBLJNQ-SNVBAGLBSA-N -1 3 379.449 3.118 20 0 GGADHM CN(C)C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830596259 604458035 /nfs/dbraw/zinc/45/80/35/604458035.db2.gz GTSVVAZJZGVSGW-RTBURBONSA-N -1 3 383.492 3.441 20 0 GGADHM CN(C)C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830596254 604458188 /nfs/dbraw/zinc/45/81/88/604458188.db2.gz GTSVVAZJZGVSGW-OALUTQOASA-N -1 3 383.492 3.441 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC000582791268 604460819 /nfs/dbraw/zinc/46/08/19/604460819.db2.gz SIRBSXZDQUPFPB-CXAGYDPISA-N -1 3 389.452 3.216 20 0 GGADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@H](c3noc(C(C)C)n3)C2)c1 ZINC000582791271 604461049 /nfs/dbraw/zinc/46/10/49/604461049.db2.gz SIRBSXZDQUPFPB-GUYCJALGSA-N -1 3 389.452 3.216 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC000833500358 604470679 /nfs/dbraw/zinc/47/06/79/604470679.db2.gz XICIJJNCWDLPQM-UHFFFAOYSA-N -1 3 381.476 3.096 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN([C@@H](C(=O)[O-])c1ccccc1F)CC2 ZINC000583327522 604473185 /nfs/dbraw/zinc/47/31/85/604473185.db2.gz RKLFFKZAWMGCMM-GOSISDBHSA-N -1 3 389.423 3.078 20 0 GGADHM CCOc1ccc([C@H](C)NC(=O)CNC2(C(=O)[O-])CCCCCC2)cc1OC ZINC000833664581 604481934 /nfs/dbraw/zinc/48/19/34/604481934.db2.gz YHGHFZTUPZJXQU-HNNXBMFYSA-N -1 3 392.496 3.038 20 0 GGADHM CC(C)(NCCOc1ccc(C(=O)[O-])cc1Cl)C(=O)Nc1ccccc1 ZINC000826630557 604485685 /nfs/dbraw/zinc/48/56/85/604485685.db2.gz JOAIJHRXCMFBEW-UHFFFAOYSA-N -1 3 376.840 3.424 20 0 GGADHM COc1ccccc1C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC000826219899 607700007 /nfs/dbraw/zinc/70/00/07/607700007.db2.gz VETJOPLSGSFEMC-GOSISDBHSA-N -1 3 379.464 3.181 20 0 GGADHM COc1ccccc1C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)C ZINC000826219899 607700010 /nfs/dbraw/zinc/70/00/10/607700010.db2.gz VETJOPLSGSFEMC-GOSISDBHSA-N -1 3 379.464 3.181 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830608802 604511419 /nfs/dbraw/zinc/51/14/19/604511419.db2.gz JOCVHUQRPAAFQB-UHFFFAOYSA-N -1 3 383.420 3.320 20 0 GGADHM CC(C)c1ccc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1 ZINC000824347645 607700346 /nfs/dbraw/zinc/70/03/46/607700346.db2.gz IWPGWKIJASWSRO-UHFFFAOYSA-N -1 3 380.452 3.002 20 0 GGADHM CC(C)c1ccc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1 ZINC000824347645 607700348 /nfs/dbraw/zinc/70/03/48/607700348.db2.gz IWPGWKIJASWSRO-UHFFFAOYSA-N -1 3 380.452 3.002 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)[C@@H](C)CO2)c1 ZINC000826285428 607696695 /nfs/dbraw/zinc/69/66/95/607696695.db2.gz ZQYQOGCXXRXVCF-JXFKEZNVSA-N -1 3 391.475 3.394 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)[C@@H](C)CO2)c1 ZINC000826285428 607696696 /nfs/dbraw/zinc/69/66/96/607696696.db2.gz ZQYQOGCXXRXVCF-JXFKEZNVSA-N -1 3 391.475 3.394 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830609250 604532428 /nfs/dbraw/zinc/53/24/28/604532428.db2.gz ZYKVFDLFCCRTHM-IBGZPJMESA-N -1 3 398.507 3.007 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824480615 607697814 /nfs/dbraw/zinc/69/78/14/607697814.db2.gz ZCROSGWEARSHGP-LLVKDONJSA-N -1 3 391.353 3.185 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824480615 607697815 /nfs/dbraw/zinc/69/78/15/607697815.db2.gz ZCROSGWEARSHGP-LLVKDONJSA-N -1 3 391.353 3.185 20 0 GGADHM CCc1nnc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c2)o1 ZINC000825762501 607698069 /nfs/dbraw/zinc/69/80/69/607698069.db2.gz CULUQEJBWOOOSY-UHFFFAOYSA-N -1 3 375.392 3.040 20 0 GGADHM CCc1nnc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2)o1 ZINC000825762501 607698072 /nfs/dbraw/zinc/69/80/72/607698072.db2.gz CULUQEJBWOOOSY-UHFFFAOYSA-N -1 3 375.392 3.040 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550671 604559892 /nfs/dbraw/zinc/55/98/92/604559892.db2.gz YFEGQXKQGWVGFN-JXFKEZNVSA-N -1 3 381.476 3.062 20 0 GGADHM CCCCCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1OC ZINC000825275940 607699180 /nfs/dbraw/zinc/69/91/80/607699180.db2.gz IVLRJALJXCYLDZ-ZDUSSCGKSA-N -1 3 398.467 3.263 20 0 GGADHM CCCCCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1OC ZINC000825275940 607699182 /nfs/dbraw/zinc/69/91/82/607699182.db2.gz IVLRJALJXCYLDZ-ZDUSSCGKSA-N -1 3 398.467 3.263 20 0 GGADHM O=C([O-])c1cccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000821550380 604586733 /nfs/dbraw/zinc/58/67/33/604586733.db2.gz BOTKFZHPAITIGY-LJQANCHMSA-N -1 3 390.443 3.281 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1nc(C(F)(F)F)cs1 ZINC000826401626 607703020 /nfs/dbraw/zinc/70/30/20/607703020.db2.gz CQWLHTQFGISDGB-AATRIKPKSA-N -1 3 381.339 3.099 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1nc(C(F)(F)F)cs1 ZINC000826401626 607703022 /nfs/dbraw/zinc/70/30/22/607703022.db2.gz CQWLHTQFGISDGB-AATRIKPKSA-N -1 3 381.339 3.099 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439245 604615222 /nfs/dbraw/zinc/61/52/22/604615222.db2.gz LOLLKOWHGQXRBZ-DLBZAZTESA-N -1 3 377.485 3.467 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439246 604615332 /nfs/dbraw/zinc/61/53/32/604615332.db2.gz LOLLKOWHGQXRBZ-IAGOWNOFSA-N -1 3 377.485 3.467 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000826249000 607703342 /nfs/dbraw/zinc/70/33/42/607703342.db2.gz HCTXYZIWJSPIIJ-UHFFFAOYSA-N -1 3 390.472 3.271 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000826249000 607703344 /nfs/dbraw/zinc/70/33/44/607703344.db2.gz HCTXYZIWJSPIIJ-UHFFFAOYSA-N -1 3 390.472 3.271 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(NC(=O)CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833541189 604639696 /nfs/dbraw/zinc/63/96/96/604639696.db2.gz MJQOTISGLZEAFH-MRXNPFEDSA-N -1 3 388.508 3.199 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833544439 604647177 /nfs/dbraw/zinc/64/71/77/604647177.db2.gz XQKGOXZEANNRSN-RVKKMQEKSA-N -1 3 392.496 3.274 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833636727 604653717 /nfs/dbraw/zinc/65/37/17/604653717.db2.gz BRYZUZBUFBQCSM-LJQANCHMSA-N -1 3 391.855 3.209 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000826246375 607710451 /nfs/dbraw/zinc/71/04/51/607710451.db2.gz CEKXWUNPXUYEOF-MRXNPFEDSA-N -1 3 381.411 3.346 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000826246375 607710453 /nfs/dbraw/zinc/71/04/53/607710453.db2.gz CEKXWUNPXUYEOF-MRXNPFEDSA-N -1 3 381.411 3.346 20 0 GGADHM C[C@@H](C1CC1)N(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515185 604662816 /nfs/dbraw/zinc/66/28/16/604662816.db2.gz AYTGMZVKVMVQOP-HTAPYJJXSA-N -1 3 392.499 3.325 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000826245577 607707366 /nfs/dbraw/zinc/70/73/66/607707366.db2.gz BPGCOYNKCIBQRA-UHFFFAOYSA-N -1 3 389.337 3.233 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000826245577 607707367 /nfs/dbraw/zinc/70/73/67/607707367.db2.gz BPGCOYNKCIBQRA-UHFFFAOYSA-N -1 3 389.337 3.233 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cnc2ccc(Br)cn12 ZINC000263496613 604679169 /nfs/dbraw/zinc/67/91/69/604679169.db2.gz JUQRETGMKRAFKY-GLQYFDAESA-N -1 3 378.270 3.315 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1)C(=O)[O-] ZINC000833541210 604680572 /nfs/dbraw/zinc/68/05/72/604680572.db2.gz MLOAYLJHSUESIK-OXJNMPFZSA-N -1 3 377.481 3.089 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1)C(=O)[O-] ZINC000833541207 604680977 /nfs/dbraw/zinc/68/09/77/604680977.db2.gz MLOAYLJHSUESIK-JXFKEZNVSA-N -1 3 377.481 3.089 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544513 604682807 /nfs/dbraw/zinc/68/28/07/604682807.db2.gz ZDIIZFWWIPXYCY-NVXWUHKLSA-N -1 3 392.496 3.370 20 0 GGADHM O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000833312462 604741384 /nfs/dbraw/zinc/74/13/84/604741384.db2.gz UNECEZSSHPIHJL-HNNXBMFYSA-N -1 3 396.472 3.342 20 0 GGADHM C[C@@H](CN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449658 604742888 /nfs/dbraw/zinc/74/28/88/604742888.db2.gz NIZYTTJWOUUHRE-YCRPNKLZSA-N -1 3 398.528 3.407 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264347 604744087 /nfs/dbraw/zinc/74/40/87/604744087.db2.gz ABIMNFNWTVFVMD-JXFKEZNVSA-N -1 3 388.508 3.324 20 0 GGADHM Brc1ccc(OCc2nc(C3CCCC3)no2)c(-c2nnn[n-]2)c1 ZINC000823831940 607712528 /nfs/dbraw/zinc/71/25/28/607712528.db2.gz GQMJRAWWWLMFAP-UHFFFAOYSA-N -1 3 391.229 3.249 20 0 GGADHM Brc1ccc(OCc2nc(C3CCCC3)no2)c(-c2nn[n-]n2)c1 ZINC000823831940 607712530 /nfs/dbraw/zinc/71/25/30/607712530.db2.gz GQMJRAWWWLMFAP-UHFFFAOYSA-N -1 3 391.229 3.249 20 0 GGADHM C[C@H]1CN([C@H](CNCc2ccc(C(=O)[O-])cc2F)c2cccs2)CCO1 ZINC000833619096 604757265 /nfs/dbraw/zinc/75/72/65/604757265.db2.gz AWTQIJNLMGZDBQ-SUMWQHHRSA-N -1 3 378.469 3.137 20 0 GGADHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000833770501 604761873 /nfs/dbraw/zinc/76/18/73/604761873.db2.gz HUINEMYJSSVRKP-LJQANCHMSA-N -1 3 377.387 3.415 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000826004610 604768879 /nfs/dbraw/zinc/76/88/79/604768879.db2.gz DKYOVRCJNVPHNB-HRAATJIYSA-N -1 3 395.503 3.293 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000826004612 604768967 /nfs/dbraw/zinc/76/89/67/604768967.db2.gz DKYOVRCJNVPHNB-IIBYNOLFSA-N -1 3 395.503 3.293 20 0 GGADHM C[C@]1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569865 604817444 /nfs/dbraw/zinc/81/74/44/604817444.db2.gz PRRSXZJLJMUUOA-UZLBHIALSA-N -1 3 387.505 3.196 20 0 GGADHM C[C@]1(NCc2csc(CC(=O)Nc3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833571439 604820739 /nfs/dbraw/zinc/82/07/39/604820739.db2.gz ZCBSVFAPEXMMRS-UZLBHIALSA-N -1 3 387.505 3.447 20 0 GGADHM C[C@H](OC(=O)C=C1CCC(C)(C)CC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824716061 607719813 /nfs/dbraw/zinc/71/98/13/607719813.db2.gz WJCDDZWJPVOOLR-ZDUSSCGKSA-N -1 3 383.452 3.264 20 0 GGADHM C[C@H](OC(=O)C=C1CCC(C)(C)CC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824716061 607719815 /nfs/dbraw/zinc/71/98/15/607719815.db2.gz WJCDDZWJPVOOLR-ZDUSSCGKSA-N -1 3 383.452 3.264 20 0 GGADHM CCCN(C(=O)c1cccs1)C1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833651273 604921292 /nfs/dbraw/zinc/92/12/92/604921292.db2.gz IXVWBQOTUYXDHO-SFHVURJKSA-N -1 3 387.505 3.286 20 0 GGADHM O=C([O-])c1n[nH]c2ccc(NC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)cc21 ZINC000833769408 604922559 /nfs/dbraw/zinc/92/25/59/604922559.db2.gz BFJZREFNWUDDRY-MRXNPFEDSA-N -1 3 393.447 3.047 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CN1Cc1ccccc1 ZINC000833599316 604926560 /nfs/dbraw/zinc/92/65/60/604926560.db2.gz DBXVGWXPPQRZMK-CZUORRHYSA-N -1 3 393.447 3.046 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825075522 607723498 /nfs/dbraw/zinc/72/34/98/607723498.db2.gz PBUJLTFRJQFCGP-CQSZACIVSA-N -1 3 381.436 3.199 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825075522 607723500 /nfs/dbraw/zinc/72/35/00/607723500.db2.gz PBUJLTFRJQFCGP-CQSZACIVSA-N -1 3 381.436 3.199 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833407322 604931922 /nfs/dbraw/zinc/93/19/22/604931922.db2.gz BJVHSXXPDMRIKP-QWHCGFSZSA-N -1 3 384.423 3.438 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409928 604937426 /nfs/dbraw/zinc/93/74/26/604937426.db2.gz SWEQTSLJRKIUOY-IRXDYDNUSA-N -1 3 387.524 3.437 20 0 GGADHM CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833505461 604938328 /nfs/dbraw/zinc/93/83/28/604938328.db2.gz KPQZVDBZAQKHRB-IBGZPJMESA-N -1 3 390.524 3.051 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000833417563 604942988 /nfs/dbraw/zinc/94/29/88/604942988.db2.gz VAWAFBMTFLHBHG-BLLLJJGKSA-N -1 3 382.863 3.407 20 0 GGADHM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833746262 604946797 /nfs/dbraw/zinc/94/67/97/604946797.db2.gz WEDVZIHKDFLPML-QGZVFWFLSA-N -1 3 387.524 3.357 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC000833419960 604952551 /nfs/dbraw/zinc/95/25/51/604952551.db2.gz LFZFYALVDJABCA-GFCCVEGCSA-N -1 3 380.286 3.420 20 0 GGADHM Cc1cc(C)cc(OCc2noc(CN3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)n2)c1 ZINC000263573729 604963134 /nfs/dbraw/zinc/96/31/34/604963134.db2.gz MSWMKCTYDOBROK-NJAFHUGGSA-N -1 3 385.464 3.483 20 0 GGADHM Cc1cc(C)cc(OCc2noc(CN3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])n2)c1 ZINC000263573730 604963335 /nfs/dbraw/zinc/96/33/35/604963335.db2.gz MSWMKCTYDOBROK-NXHRZFHOSA-N -1 3 385.464 3.483 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(COc2ccc(F)cc2)no1 ZINC000248562493 604963360 /nfs/dbraw/zinc/96/33/60/604963360.db2.gz OBNYROXPBYASKG-MAZHCROVSA-N -1 3 375.400 3.005 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000827949670 604968818 /nfs/dbraw/zinc/96/88/18/604968818.db2.gz MHNOMGDEHZZKEV-ZFWWWQNUSA-N -1 3 388.493 3.117 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000833600226 604970120 /nfs/dbraw/zinc/97/01/20/604970120.db2.gz KGKRJJMKZADPPB-HOCLYGCPSA-N -1 3 378.469 3.141 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000833415181 604974257 /nfs/dbraw/zinc/97/42/57/604974257.db2.gz PYUNHENTRLPXHL-HOTGVXAUSA-N -1 3 393.553 3.417 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000833413697 604975566 /nfs/dbraw/zinc/97/55/66/604975566.db2.gz FILYEJQKEQWARP-RTBURBONSA-N -1 3 387.524 3.356 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000833414193 604978053 /nfs/dbraw/zinc/97/80/53/604978053.db2.gz ITTOPDAZYBZFHT-MOPGFXCFSA-N -1 3 387.524 3.183 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000833549989 604979744 /nfs/dbraw/zinc/97/97/44/604979744.db2.gz UCHPJQPLEIIWSF-NZSAHSFTSA-N -1 3 387.524 3.354 20 0 GGADHM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1c(Cl)cccc1Cl ZINC000824157170 607726353 /nfs/dbraw/zinc/72/63/53/607726353.db2.gz BRZQOBKQASOHDD-UHFFFAOYSA-N -1 3 379.251 3.209 20 0 GGADHM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c(Cl)cccc1Cl ZINC000824157170 607726355 /nfs/dbraw/zinc/72/63/55/607726355.db2.gz BRZQOBKQASOHDD-UHFFFAOYSA-N -1 3 379.251 3.209 20 0 GGADHM C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833547727 604986560 /nfs/dbraw/zinc/98/65/60/604986560.db2.gz INFWOWSOXRKBNS-QRWLVFNGSA-N -1 3 382.460 3.157 20 0 GGADHM C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833547728 604986829 /nfs/dbraw/zinc/98/68/29/604986829.db2.gz INFWOWSOXRKBNS-YWZLYKJASA-N -1 3 382.460 3.157 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CN1Cc1ccccc1 ZINC000833601542 604988268 /nfs/dbraw/zinc/98/82/68/604988268.db2.gz VYCJMOIQLBFIKY-BHIYHBOVSA-N -1 3 387.524 3.182 20 0 GGADHM O=C([O-])c1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1F ZINC000833309304 604994526 /nfs/dbraw/zinc/99/45/26/604994526.db2.gz FHLRDQLZDIBBJY-UHFFFAOYSA-N -1 3 384.451 3.305 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccnc1 ZINC000833164558 604996442 /nfs/dbraw/zinc/99/64/42/604996442.db2.gz BDLQMPKMUOOCLR-INIZCTEOSA-N -1 3 376.338 3.202 20 0 GGADHM O=C([O-])[C@@H](NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1cccnc1 ZINC000833170614 604996980 /nfs/dbraw/zinc/99/69/80/604996980.db2.gz ZIHWAFMNKBUVDM-QFIPXVFZSA-N -1 3 399.454 3.304 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccnc1 ZINC000833157580 604998483 /nfs/dbraw/zinc/99/84/83/604998483.db2.gz DRJMGRGVXITZSI-LJQANCHMSA-N -1 3 379.391 3.389 20 0 GGADHM O=C([O-])[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccnc1 ZINC000833169019 604998786 /nfs/dbraw/zinc/99/87/86/604998786.db2.gz BOVWHTFUEHQCRW-NRFANRHFSA-N -1 3 385.427 3.245 20 0 GGADHM CCc1ccc([C@H](C)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)s1 ZINC000833670613 605004227 /nfs/dbraw/zinc/00/42/27/605004227.db2.gz OSEKEAMXXCTQOU-ZDUSSCGKSA-N -1 3 381.519 3.161 20 0 GGADHM Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)cc1C ZINC000826262509 607731614 /nfs/dbraw/zinc/73/16/14/607731614.db2.gz QWZMRSXSCNTOLP-UHFFFAOYSA-N -1 3 379.449 3.496 20 0 GGADHM Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)cc1C ZINC000826262509 607731615 /nfs/dbraw/zinc/73/16/15/607731615.db2.gz QWZMRSXSCNTOLP-UHFFFAOYSA-N -1 3 379.449 3.496 20 0 GGADHM C[C@]1(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CCCC[C@H]1C(=O)[O-] ZINC000833569236 605062800 /nfs/dbraw/zinc/06/28/00/605062800.db2.gz KQFTWCXUUGXPIB-SJCJKPOMSA-N -1 3 383.370 3.477 20 0 GGADHM C[C@@]1(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC000833569237 605062876 /nfs/dbraw/zinc/06/28/76/605062876.db2.gz KQFTWCXUUGXPIB-SJKOYZFVSA-N -1 3 383.370 3.477 20 0 GGADHM C[C@@]1(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CCCC[C@H]1C(=O)[O-] ZINC000833569238 605063072 /nfs/dbraw/zinc/06/30/72/605063072.db2.gz KQFTWCXUUGXPIB-YVEFUNNKSA-N -1 3 383.370 3.477 20 0 GGADHM C[C@@H]1CN([C@@H](CNCc2ccc(C(=O)[O-])o2)c2c(F)cccc2Cl)CCO1 ZINC000833625779 605074174 /nfs/dbraw/zinc/07/41/74/605074174.db2.gz MXGQRVIOUFKODH-WBMJQRKESA-N -1 3 396.846 3.322 20 0 GGADHM C[C@@H]1CN([C@H](CNCc2ccoc2C(=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000833625003 605074972 /nfs/dbraw/zinc/07/49/72/605074972.db2.gz MQRMMHNRMPFHAM-MLGOLLRUSA-N -1 3 396.846 3.322 20 0 GGADHM O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826506714 607732677 /nfs/dbraw/zinc/73/26/77/607732677.db2.gz ALMUWZLYDCMQAC-CZUORRHYSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826506714 607732679 /nfs/dbraw/zinc/73/26/79/607732679.db2.gz ALMUWZLYDCMQAC-CZUORRHYSA-N -1 3 393.344 3.337 20 0 GGADHM CC[C@H](NCc1cc(C(=O)[O-])sc1C)c1ccccc1OCC(=O)N(C)C ZINC000833643765 605079769 /nfs/dbraw/zinc/07/97/69/605079769.db2.gz GNLVIZZPHMADSP-INIZCTEOSA-N -1 3 390.505 3.463 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000826304300 607733577 /nfs/dbraw/zinc/73/35/77/607733577.db2.gz GFPBCIPGYWOYEX-SWLSCSKDSA-N -1 3 380.477 3.131 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000826304300 607733578 /nfs/dbraw/zinc/73/35/78/607733578.db2.gz GFPBCIPGYWOYEX-SWLSCSKDSA-N -1 3 380.477 3.131 20 0 GGADHM C[C@H](Oc1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1)C(=O)[O-] ZINC000833539108 605089963 /nfs/dbraw/zinc/08/99/63/605089963.db2.gz FXAJASRTKWIECU-SCLBCKFNSA-N -1 3 383.366 3.078 20 0 GGADHM C[C@@H](Oc1ccc(CNC(C)(C)C(=O)NCC2CCCCC2)cc1)C(=O)[O-] ZINC000833538285 605117260 /nfs/dbraw/zinc/11/72/60/605117260.db2.gz CFTMPBHNBHDFSB-OAHLLOKOSA-N -1 3 376.497 3.103 20 0 GGADHM CC(C)CCOc1ccc([C@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833483583 605121330 /nfs/dbraw/zinc/12/13/30/605121330.db2.gz CYXFTDNCVGPRKA-DLBZAZTESA-N -1 3 390.524 3.474 20 0 GGADHM CC(C)CCOc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833483585 605121715 /nfs/dbraw/zinc/12/17/15/605121715.db2.gz CYXFTDNCVGPRKA-IRXDYDNUSA-N -1 3 390.524 3.474 20 0 GGADHM COc1ccc([C@@H](Nc2ncccc2-c2nnn[n-]2)c2ccccc2OC)cc1 ZINC000826189460 607735873 /nfs/dbraw/zinc/73/58/73/607735873.db2.gz WCSZXAADWGLMPJ-LJQANCHMSA-N -1 3 388.431 3.480 20 0 GGADHM COc1ccc([C@@H](Nc2ncccc2-c2nn[n-]n2)c2ccccc2OC)cc1 ZINC000826189460 607735874 /nfs/dbraw/zinc/73/58/74/607735874.db2.gz WCSZXAADWGLMPJ-LJQANCHMSA-N -1 3 388.431 3.480 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](C)c2cc(C)cc(C)c2)cc(C(=O)[O-])c1 ZINC000833715642 605136429 /nfs/dbraw/zinc/13/64/29/605136429.db2.gz XPKCAFGSPLZDLK-CQSZACIVSA-N -1 3 384.432 3.078 20 0 GGADHM CN(C(=O)CN[C@@H](c1ccccc1)C1CCOCC1)c1ccccc1C(=O)[O-] ZINC000833685970 605140498 /nfs/dbraw/zinc/14/04/98/605140498.db2.gz NZMMHIQDPDIJPY-NRFANRHFSA-N -1 3 382.460 3.105 20 0 GGADHM CC(C)COc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833490438 605173337 /nfs/dbraw/zinc/17/33/37/605173337.db2.gz IHGCTIIZAURDSV-CVEARBPZSA-N -1 3 376.497 3.084 20 0 GGADHM CN(C(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686543 605174130 /nfs/dbraw/zinc/17/41/30/605174130.db2.gz YYPKGCDFTWRUIH-VQIMIIECSA-N -1 3 382.460 3.105 20 0 GGADHM CN(C(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686542 605174315 /nfs/dbraw/zinc/17/43/15/605174315.db2.gz YYPKGCDFTWRUIH-QFBILLFUSA-N -1 3 382.460 3.105 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000833412368 605175220 /nfs/dbraw/zinc/17/52/20/605175220.db2.gz JQMVGGRXPQJZMN-PXNSSMCTSA-N -1 3 382.460 3.068 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccccc1 ZINC000833415913 605175667 /nfs/dbraw/zinc/17/56/67/605175667.db2.gz YONWOQJDUHEUEN-FQEVSTJZSA-N -1 3 380.488 3.276 20 0 GGADHM CC(C)c1nnc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000833512402 605179128 /nfs/dbraw/zinc/17/91/28/605179128.db2.gz UUUITKHOKUAGEM-CQSZACIVSA-N -1 3 376.482 3.042 20 0 GGADHM CC(C)c1nnc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000833512401 605179325 /nfs/dbraw/zinc/17/93/25/605179325.db2.gz UUUITKHOKUAGEM-AWEZNQCLSA-N -1 3 376.482 3.042 20 0 GGADHM CC(C)Cc1nnc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000833493865 605181291 /nfs/dbraw/zinc/18/12/91/605181291.db2.gz OAMHZAJFSCMARH-MRXNPFEDSA-N -1 3 390.509 3.117 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000833415996 605183693 /nfs/dbraw/zinc/18/36/93/605183693.db2.gz ZBOIJQZUWWVRNZ-GDBMZVCRSA-N -1 3 386.414 3.229 20 0 GGADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCOC(c1ccccc1)c1ccccc1 ZINC000833629802 605195017 /nfs/dbraw/zinc/19/50/17/605195017.db2.gz ZZILJFOKTOCLCF-IBGZPJMESA-N -1 3 382.504 3.273 20 0 GGADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000833628713 605198066 /nfs/dbraw/zinc/19/80/66/605198066.db2.gz ODSLAGLYPBOKRU-SFHVURJKSA-N -1 3 384.476 3.339 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCOc2ccccc2C(=O)[O-])C1 ZINC000833442051 605206476 /nfs/dbraw/zinc/20/64/76/605206476.db2.gz MHWYPQUOOVXQIW-HNNXBMFYSA-N -1 3 378.469 3.000 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccccc1C(=O)[O-] ZINC000833600680 605218536 /nfs/dbraw/zinc/21/85/36/605218536.db2.gz MSTDHPWZRFWOJR-CABCVRRESA-N -1 3 378.469 3.141 20 0 GGADHM CC(C)CNC(=O)C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833487138 605259963 /nfs/dbraw/zinc/25/99/63/605259963.db2.gz FGHULAPGXURXBP-MRXNPFEDSA-N -1 3 386.414 3.315 20 0 GGADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)ccc1OC ZINC000833712349 605260771 /nfs/dbraw/zinc/26/07/71/605260771.db2.gz FQLPUPUJHLQBQK-INIZCTEOSA-N -1 3 397.349 3.416 20 0 GGADHM CCO[C@@H]1C[C@H](O)C12CCN([C@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC000833659623 605266830 /nfs/dbraw/zinc/26/68/30/605266830.db2.gz DDQVDRQOVDYUAJ-XHSDSOJGSA-N -1 3 387.398 3.083 20 0 GGADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000824401302 607745433 /nfs/dbraw/zinc/74/54/33/607745433.db2.gz PTGRLCAHSYBKLS-JTQLQIEISA-N -1 3 378.358 3.137 20 0 GGADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000824401302 607745434 /nfs/dbraw/zinc/74/54/34/607745434.db2.gz PTGRLCAHSYBKLS-JTQLQIEISA-N -1 3 378.358 3.137 20 0 GGADHM CN(C[C@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000833693445 605295428 /nfs/dbraw/zinc/29/54/28/605295428.db2.gz XTVRKNCNZOATSP-QGZVFWFLSA-N -1 3 392.496 3.229 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000833614604 605297318 /nfs/dbraw/zinc/29/73/18/605297318.db2.gz QIKBGFXVMLWNDF-MAUKXSAKSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833599326 605299154 /nfs/dbraw/zinc/29/91/54/605299154.db2.gz DGMHBAPQLORHTH-GOEBONIOSA-N -1 3 378.469 3.028 20 0 GGADHM CC(C)N1C(=O)C[C@H](NCc2ccc(C(=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833499385 605312969 /nfs/dbraw/zinc/31/29/69/605312969.db2.gz GGWZHFRMSVTAIV-FUHWJXTLSA-N -1 3 393.846 3.346 20 0 GGADHM CCCN(C(=O)c1cccs1)C1CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)CC1 ZINC000833651692 605358830 /nfs/dbraw/zinc/35/88/30/605358830.db2.gz WDOOGMKLYJTUKX-MRXNPFEDSA-N -1 3 392.521 3.212 20 0 GGADHM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833649642 605361782 /nfs/dbraw/zinc/36/17/82/605361782.db2.gz RYVCCBMDQBOERV-PVUWLOKVSA-N -1 3 384.879 3.478 20 0 GGADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583609 605369062 /nfs/dbraw/zinc/36/90/62/605369062.db2.gz JEGMVPHUZGGJJC-WDEREUQCSA-N -1 3 376.400 3.489 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826470611 607752503 /nfs/dbraw/zinc/75/25/03/607752503.db2.gz WSJIRMQKSSBQQB-UONOGXRCSA-N -1 3 387.465 3.030 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826470611 607752504 /nfs/dbraw/zinc/75/25/04/607752504.db2.gz WSJIRMQKSSBQQB-UONOGXRCSA-N -1 3 387.465 3.030 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000826470788 607753113 /nfs/dbraw/zinc/75/31/13/607753113.db2.gz CURLBDJDBSIYNQ-UHFFFAOYSA-N -1 3 390.369 3.233 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000826470788 607753114 /nfs/dbraw/zinc/75/31/14/607753114.db2.gz CURLBDJDBSIYNQ-UHFFFAOYSA-N -1 3 390.369 3.233 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000833405312 605424646 /nfs/dbraw/zinc/42/46/46/605424646.db2.gz YYYZRCCHKJHYRY-XJKSGUPXSA-N -1 3 398.425 3.206 20 0 GGADHM CC[C@@H](CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825081069 607755180 /nfs/dbraw/zinc/75/51/80/607755180.db2.gz FKWOUKDMYXCTPC-HNNXBMFYSA-N -1 3 395.463 3.084 20 0 GGADHM CC[C@@H](CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825081069 607755181 /nfs/dbraw/zinc/75/51/81/607755181.db2.gz FKWOUKDMYXCTPC-HNNXBMFYSA-N -1 3 395.463 3.084 20 0 GGADHM C[C@]1(NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CCO[C@@H]1C1CC1 ZINC000833568111 605446525 /nfs/dbraw/zinc/44/65/25/605446525.db2.gz DPAKWSWFNOJPLY-WBVHZDCISA-N -1 3 387.263 3.177 20 0 GGADHM C[C@]1(NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CCO[C@H]1C1CC1 ZINC000833568110 605446529 /nfs/dbraw/zinc/44/65/29/605446529.db2.gz DPAKWSWFNOJPLY-RDJZCZTQSA-N -1 3 387.263 3.177 20 0 GGADHM C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824390971 607757390 /nfs/dbraw/zinc/75/73/90/607757390.db2.gz FUHIJDHZQLMOJJ-RNCFNFMXSA-N -1 3 392.872 3.215 20 0 GGADHM O=C(NCC1([C@H](O)c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826433398 607758023 /nfs/dbraw/zinc/75/80/23/607758023.db2.gz FCEDVXHAQSEIFT-MRXNPFEDSA-N -1 3 398.854 3.155 20 0 GGADHM O=C(NCC1([C@H](O)c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826433398 607758024 /nfs/dbraw/zinc/75/80/24/607758024.db2.gz FCEDVXHAQSEIFT-MRXNPFEDSA-N -1 3 398.854 3.155 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000825523496 607759093 /nfs/dbraw/zinc/75/90/93/607759093.db2.gz QRRLZKDCTDFWCV-ZDUSSCGKSA-N -1 3 394.435 3.252 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000825523496 607759094 /nfs/dbraw/zinc/75/90/94/607759094.db2.gz QRRLZKDCTDFWCV-ZDUSSCGKSA-N -1 3 394.435 3.252 20 0 GGADHM CCOc1ccc(C[C@@H](CNCc2c(Cl)nc(Cl)n2C)C(=O)[O-])cc1 ZINC000833664502 605519924 /nfs/dbraw/zinc/51/99/24/605519924.db2.gz UPIARHSKOFJMJA-LBPRGKRZSA-N -1 3 386.279 3.159 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CSc2ccccc2)cc1-c1nnn[n-]1 ZINC000825532865 607760495 /nfs/dbraw/zinc/76/04/95/607760495.db2.gz YNQHRCRPIOOTDG-UHFFFAOYSA-N -1 3 398.448 3.166 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CSc2ccccc2)cc1-c1nn[n-]n1 ZINC000825532865 607760496 /nfs/dbraw/zinc/76/04/96/607760496.db2.gz YNQHRCRPIOOTDG-UHFFFAOYSA-N -1 3 398.448 3.166 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](SCC)C(C)C)cc1-c1nnn[n-]1 ZINC000825532357 607760837 /nfs/dbraw/zinc/76/08/37/607760837.db2.gz SRXWRIHAOXTDRB-CQSZACIVSA-N -1 3 392.485 3.151 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](SCC)C(C)C)cc1-c1nn[n-]n1 ZINC000825532357 607760838 /nfs/dbraw/zinc/76/08/38/607760838.db2.gz SRXWRIHAOXTDRB-CQSZACIVSA-N -1 3 392.485 3.151 20 0 GGADHM C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824390971 607757389 /nfs/dbraw/zinc/75/73/89/607757389.db2.gz FUHIJDHZQLMOJJ-RNCFNFMXSA-N -1 3 392.872 3.215 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)NCC2(C3CC3)CCC2)c1-c1nnn[n-]1 ZINC000826231481 607763075 /nfs/dbraw/zinc/76/30/75/607763075.db2.gz NHSIBJXGDCYZMC-UHFFFAOYSA-N -1 3 384.509 3.171 20 0 GGADHM CS[C@@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826225856 607764281 /nfs/dbraw/zinc/76/42/81/607764281.db2.gz MHKPCEPBVMCACF-ZDUSSCGKSA-N -1 3 383.477 3.449 20 0 GGADHM CS[C@@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826225856 607764282 /nfs/dbraw/zinc/76/42/82/607764282.db2.gz MHKPCEPBVMCACF-ZDUSSCGKSA-N -1 3 383.477 3.449 20 0 GGADHM CS[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826225493 607764460 /nfs/dbraw/zinc/76/44/60/607764460.db2.gz DDEDKPUXHINWMN-GFCCVEGCSA-N -1 3 385.518 3.499 20 0 GGADHM CS[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826225493 607764461 /nfs/dbraw/zinc/76/44/61/607764461.db2.gz DDEDKPUXHINWMN-GFCCVEGCSA-N -1 3 385.518 3.499 20 0 GGADHM CC(C)Oc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000824319400 607764587 /nfs/dbraw/zinc/76/45/87/607764587.db2.gz OSIKWXGNAMKYRK-UHFFFAOYSA-N -1 3 387.831 3.024 20 0 GGADHM CC(C)Oc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000824319400 607764588 /nfs/dbraw/zinc/76/45/88/607764588.db2.gz OSIKWXGNAMKYRK-UHFFFAOYSA-N -1 3 387.831 3.024 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cc1-c1nnn[n-]1 ZINC000825532291 607765327 /nfs/dbraw/zinc/76/53/27/607765327.db2.gz REUVWBMJHPLUNC-LLVKDONJSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cc1-c1nn[n-]n1 ZINC000825532291 607765328 /nfs/dbraw/zinc/76/53/28/607765328.db2.gz REUVWBMJHPLUNC-LLVKDONJSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)C[C@@H](C)CC)cc1-c1nnn[n-]1 ZINC000825539495 607765599 /nfs/dbraw/zinc/76/55/99/607765599.db2.gz PWECTOGULIGEJQ-NWDGAFQWSA-N -1 3 389.460 3.381 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)C[C@@H](C)CC)cc1-c1nn[n-]n1 ZINC000825539495 607765600 /nfs/dbraw/zinc/76/56/00/607765600.db2.gz PWECTOGULIGEJQ-NWDGAFQWSA-N -1 3 389.460 3.381 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)CCC(C)C)cc1-c1nnn[n-]1 ZINC000825538447 607766089 /nfs/dbraw/zinc/76/60/89/607766089.db2.gz HJZPCTRMSUYVCF-GFCCVEGCSA-N -1 3 389.460 3.381 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)CCC(C)C)cc1-c1nn[n-]n1 ZINC000825538447 607766090 /nfs/dbraw/zinc/76/60/90/607766090.db2.gz HJZPCTRMSUYVCF-GFCCVEGCSA-N -1 3 389.460 3.381 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2CC)cc1-c1nnn[n-]1 ZINC000825539971 607766307 /nfs/dbraw/zinc/76/63/07/607766307.db2.gz UCIIKHFQWCSORO-AAEUAGOBSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2CC)cc1-c1nn[n-]n1 ZINC000825539971 607766308 /nfs/dbraw/zinc/76/63/08/607766308.db2.gz UCIIKHFQWCSORO-AAEUAGOBSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC)cc1-c1nnn[n-]1 ZINC000825539917 607766485 /nfs/dbraw/zinc/76/64/85/607766485.db2.gz RUITWGIDJBPYMN-BXUZGUMPSA-N -1 3 387.444 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC)cc1-c1nn[n-]n1 ZINC000825539917 607766486 /nfs/dbraw/zinc/76/64/86/607766486.db2.gz RUITWGIDJBPYMN-BXUZGUMPSA-N -1 3 387.444 3.135 20 0 GGADHM CCCC1(CNC(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)CC1 ZINC000825248709 607766804 /nfs/dbraw/zinc/76/68/04/607766804.db2.gz XNOKPRIPRQTLIX-UHFFFAOYSA-N -1 3 387.444 3.137 20 0 GGADHM CCCC1(CNC(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)CC1 ZINC000825248709 607766805 /nfs/dbraw/zinc/76/68/05/607766805.db2.gz XNOKPRIPRQTLIX-UHFFFAOYSA-N -1 3 387.444 3.137 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(CC(C)C)C2CC2)cc1-c1nnn[n-]1 ZINC000825532655 607766861 /nfs/dbraw/zinc/76/68/61/607766861.db2.gz WNXGZHNLVOSRDC-UHFFFAOYSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N(CC(C)C)C2CC2)cc1-c1nn[n-]n1 ZINC000825532655 607766862 /nfs/dbraw/zinc/76/68/62/607766862.db2.gz WNXGZHNLVOSRDC-UHFFFAOYSA-N -1 3 387.444 3.087 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)NCC2(C)CCCC2)cc1-c1nnn[n-]1 ZINC000825538214 607766989 /nfs/dbraw/zinc/76/69/89/607766989.db2.gz CMPVZGFZWXOVBW-UHFFFAOYSA-N -1 3 387.444 3.137 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)NCC2(C)CCCC2)cc1-c1nn[n-]n1 ZINC000825538214 607766990 /nfs/dbraw/zinc/76/69/90/607766990.db2.gz CMPVZGFZWXOVBW-UHFFFAOYSA-N -1 3 387.444 3.137 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC[C@H](C)CC2)cc1-c1nnn[n-]1 ZINC000825540226 607767203 /nfs/dbraw/zinc/76/72/03/607767203.db2.gz WBSCNZUQTBVELX-HAQNSBGRSA-N -1 3 387.444 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC[C@H](C)CC2)cc1-c1nn[n-]n1 ZINC000825540226 607767204 /nfs/dbraw/zinc/76/72/04/607767204.db2.gz WBSCNZUQTBVELX-HAQNSBGRSA-N -1 3 387.444 3.135 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](CC)C2)cc1-c1nnn[n-]1 ZINC000825540241 607767442 /nfs/dbraw/zinc/76/74/42/607767442.db2.gz WILKPRYVVAOEGR-LBPRGKRZSA-N -1 3 387.444 3.089 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](CC)C2)cc1-c1nn[n-]n1 ZINC000825540241 607767443 /nfs/dbraw/zinc/76/74/43/607767443.db2.gz WILKPRYVVAOEGR-LBPRGKRZSA-N -1 3 387.444 3.089 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccsc21 ZINC000826438440 607768600 /nfs/dbraw/zinc/76/86/00/607768600.db2.gz CJQGIPZDNLJFFZ-UHFFFAOYSA-N -1 3 380.433 3.282 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1CC1(Cl)Cl ZINC000826459374 607769825 /nfs/dbraw/zinc/76/98/25/607769825.db2.gz HKEWMIYPAPIZFH-SECBINFHSA-N -1 3 381.248 3.123 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1CC1(Cl)Cl ZINC000826459374 607769826 /nfs/dbraw/zinc/76/98/26/607769826.db2.gz HKEWMIYPAPIZFH-SECBINFHSA-N -1 3 381.248 3.123 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccnc(Cl)c1 ZINC000826460331 607771608 /nfs/dbraw/zinc/77/16/08/607771608.db2.gz XZPJHFGWDYHBFX-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccnc(Cl)c1 ZINC000826460331 607771609 /nfs/dbraw/zinc/77/16/09/607771609.db2.gz XZPJHFGWDYHBFX-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1=CCCCO1 ZINC000823355895 606029121 /nfs/dbraw/zinc/02/91/21/606029121.db2.gz FMLNMHXCCLBRIK-UHFFFAOYSA-N -1 3 381.367 3.431 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1=CCCCO1 ZINC000823355895 606029126 /nfs/dbraw/zinc/02/91/26/606029126.db2.gz FMLNMHXCCLBRIK-UHFFFAOYSA-N -1 3 381.367 3.431 20 0 GGADHM CC[C@@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820989276 606029881 /nfs/dbraw/zinc/02/98/81/606029881.db2.gz PPHVWEGREZOWDQ-OXQOHEQNSA-N -1 3 390.491 3.321 20 0 GGADHM O=C1CCCN1c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823530439 606031561 /nfs/dbraw/zinc/03/15/61/606031561.db2.gz JSWQWOZLAHEKNT-UHFFFAOYSA-N -1 3 385.431 3.154 20 0 GGADHM O=C1CCCN1c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823530439 606031565 /nfs/dbraw/zinc/03/15/65/606031565.db2.gz JSWQWOZLAHEKNT-UHFFFAOYSA-N -1 3 385.431 3.154 20 0 GGADHM CCCNC(=O)c1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000821118774 606046779 /nfs/dbraw/zinc/04/67/79/606046779.db2.gz QQICKJWUCUQMJZ-UHFFFAOYSA-N -1 3 387.447 3.167 20 0 GGADHM CCCNC(=O)c1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000821118774 606046782 /nfs/dbraw/zinc/04/67/82/606046782.db2.gz QQICKJWUCUQMJZ-UHFFFAOYSA-N -1 3 387.447 3.167 20 0 GGADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccnc1 ZINC000819877563 606051824 /nfs/dbraw/zinc/05/18/24/606051824.db2.gz YINMFXJNLFAMQH-NSHDSACASA-N -1 3 377.433 3.127 20 0 GGADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccnc1 ZINC000819877563 606051831 /nfs/dbraw/zinc/05/18/31/606051831.db2.gz YINMFXJNLFAMQH-NSHDSACASA-N -1 3 377.433 3.127 20 0 GGADHM Fc1ccc(N2CC[C@@H](CNc3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000822779559 606057185 /nfs/dbraw/zinc/05/71/85/606057185.db2.gz XADBKYGEZXFKQQ-AWEZNQCLSA-N -1 3 389.438 3.492 20 0 GGADHM Fc1ccc(N2CC[C@@H](CNc3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000822779559 606057191 /nfs/dbraw/zinc/05/71/91/606057191.db2.gz XADBKYGEZXFKQQ-AWEZNQCLSA-N -1 3 389.438 3.492 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)no1 ZINC000820202698 606065746 /nfs/dbraw/zinc/06/57/46/606065746.db2.gz JYAUVFYGWAKIRK-AWEZNQCLSA-N -1 3 390.451 3.305 20 0 GGADHM CC(C)c1nc([C@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)no1 ZINC000820202698 606065750 /nfs/dbraw/zinc/06/57/50/606065750.db2.gz JYAUVFYGWAKIRK-AWEZNQCLSA-N -1 3 390.451 3.305 20 0 GGADHM CCc1nc2ccccc2n1CCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821509581 606067333 /nfs/dbraw/zinc/06/73/33/606067333.db2.gz JPSNSTFEVCIONS-UHFFFAOYSA-N -1 3 384.447 3.439 20 0 GGADHM CCc1nc2ccccc2n1CCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821509581 606067338 /nfs/dbraw/zinc/06/73/38/606067338.db2.gz JPSNSTFEVCIONS-UHFFFAOYSA-N -1 3 384.447 3.439 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](C(=O)OC(C)(C)C)C3)c2c1 ZINC000822195508 606101853 /nfs/dbraw/zinc/10/18/53/606101853.db2.gz UFGXEBIEXJSNPD-CQSZACIVSA-N -1 3 394.479 3.200 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC[C@@H](C(=O)OC(C)(C)C)C3)c2c1 ZINC000822195508 606101857 /nfs/dbraw/zinc/10/18/57/606101857.db2.gz UFGXEBIEXJSNPD-CQSZACIVSA-N -1 3 394.479 3.200 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1Cc2ccccc2[C@H]1C ZINC000820031141 606103148 /nfs/dbraw/zinc/10/31/48/606103148.db2.gz AIZFVLLHMHJGBY-KUHUBIRLSA-N -1 3 377.448 3.374 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1Cc2ccccc2[C@H]1C ZINC000820031141 606103151 /nfs/dbraw/zinc/10/31/51/606103151.db2.gz AIZFVLLHMHJGBY-KUHUBIRLSA-N -1 3 377.448 3.374 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820642818 606104080 /nfs/dbraw/zinc/10/40/80/606104080.db2.gz LVESYLVHVZHBLL-JXFKEZNVSA-N -1 3 375.476 3.279 20 0 GGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820642818 606104082 /nfs/dbraw/zinc/10/40/82/606104082.db2.gz LVESYLVHVZHBLL-JXFKEZNVSA-N -1 3 375.476 3.279 20 0 GGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821882609 606104867 /nfs/dbraw/zinc/10/48/67/606104867.db2.gz FRBNFKHBOLEKJC-SFHVURJKSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821882609 606104869 /nfs/dbraw/zinc/10/48/69/606104869.db2.gz FRBNFKHBOLEKJC-SFHVURJKSA-N -1 3 379.464 3.321 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1cccc(OC(F)(F)F)c1 ZINC000823078622 606106330 /nfs/dbraw/zinc/10/63/30/606106330.db2.gz PLDSEAOANRHWJB-UHFFFAOYSA-N -1 3 378.310 3.051 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1cccc(OC(F)(F)F)c1 ZINC000823078622 606106333 /nfs/dbraw/zinc/10/63/33/606106333.db2.gz PLDSEAOANRHWJB-UHFFFAOYSA-N -1 3 378.310 3.051 20 0 GGADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2cccs2)c(-c2nnn[n-]2)c1C ZINC000822558105 606107904 /nfs/dbraw/zinc/10/79/04/606107904.db2.gz MSZNTIGTJMUOFO-SNVBAGLBSA-N -1 3 376.511 3.238 20 0 GGADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2cccs2)c(-c2nn[n-]n2)c1C ZINC000822558105 606107905 /nfs/dbraw/zinc/10/79/05/606107905.db2.gz MSZNTIGTJMUOFO-SNVBAGLBSA-N -1 3 376.511 3.238 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c2)o1 ZINC000822505615 606108756 /nfs/dbraw/zinc/10/87/56/606108756.db2.gz OQSWAGOTUBVDRU-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c2)o1 ZINC000822505615 606108757 /nfs/dbraw/zinc/10/87/57/606108757.db2.gz OQSWAGOTUBVDRU-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccc2n[nH]cc2c1 ZINC000823350750 606109012 /nfs/dbraw/zinc/10/90/12/606109012.db2.gz ZXHSBFQMBSIXGD-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@@H](C)Oc3ccc(C)cc32)c(-c2nnn[n-]2)c1C ZINC000822279565 606115878 /nfs/dbraw/zinc/11/58/78/606115878.db2.gz AVFHVRMOETZHDL-LLVKDONJSA-N -1 3 398.492 3.079 20 0 GGADHM Cc1sc(NC(=O)CN2C[C@@H](C)Oc3ccc(C)cc32)c(-c2nn[n-]n2)c1C ZINC000822279565 606115881 /nfs/dbraw/zinc/11/58/81/606115881.db2.gz AVFHVRMOETZHDL-LLVKDONJSA-N -1 3 398.492 3.079 20 0 GGADHM COc1ncc(C)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821911178 606116271 /nfs/dbraw/zinc/11/62/71/606116271.db2.gz OKUSLXKDSRFPGH-UHFFFAOYSA-N -1 3 381.440 3.021 20 0 GGADHM COc1ncc(C)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821911178 606116272 /nfs/dbraw/zinc/11/62/72/606116272.db2.gz OKUSLXKDSRFPGH-UHFFFAOYSA-N -1 3 381.440 3.021 20 0 GGADHM O=C(CC1CCCCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822941337 606128767 /nfs/dbraw/zinc/12/87/67/606128767.db2.gz VBJCRNZQKILZPU-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM O=C(CC1CCCCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822941337 606128768 /nfs/dbraw/zinc/12/87/68/606128768.db2.gz VBJCRNZQKILZPU-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM Cc1csc([C@H](OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)n1 ZINC000822408302 606128992 /nfs/dbraw/zinc/12/89/92/606128992.db2.gz AIDWDHQRDLKODJ-ZDUSSCGKSA-N -1 3 397.382 3.411 20 0 GGADHM Cc1csc([C@H](OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)n1 ZINC000822408302 606128993 /nfs/dbraw/zinc/12/89/93/606128993.db2.gz AIDWDHQRDLKODJ-ZDUSSCGKSA-N -1 3 397.382 3.411 20 0 GGADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000820494962 606135226 /nfs/dbraw/zinc/13/52/26/606135226.db2.gz DOFBTMFJGCOUGL-JTQLQIEISA-N -1 3 392.337 3.454 20 0 GGADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000820494962 606135228 /nfs/dbraw/zinc/13/52/28/606135228.db2.gz DOFBTMFJGCOUGL-JTQLQIEISA-N -1 3 392.337 3.454 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820496088 606145627 /nfs/dbraw/zinc/14/56/27/606145627.db2.gz LMKVZVVROQEBDW-KYGZHNPESA-N -1 3 394.475 3.126 20 0 GGADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820496088 606145629 /nfs/dbraw/zinc/14/56/29/606145629.db2.gz LMKVZVVROQEBDW-KYGZHNPESA-N -1 3 394.475 3.126 20 0 GGADHM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822193352 606146679 /nfs/dbraw/zinc/14/66/79/606146679.db2.gz ULFUKEOIPCWHNP-OAHLLOKOSA-N -1 3 378.432 3.149 20 0 GGADHM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822193352 606146681 /nfs/dbraw/zinc/14/66/81/606146681.db2.gz ULFUKEOIPCWHNP-OAHLLOKOSA-N -1 3 378.432 3.149 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1OCC(F)(F)F ZINC000823111511 606147006 /nfs/dbraw/zinc/14/70/06/606147006.db2.gz LEKNYXMTRHUXNX-UHFFFAOYSA-N -1 3 392.337 3.094 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1OCC(F)(F)F ZINC000823111511 606147008 /nfs/dbraw/zinc/14/70/08/606147008.db2.gz LEKNYXMTRHUXNX-UHFFFAOYSA-N -1 3 392.337 3.094 20 0 GGADHM Cc1sc(NC(=O)C2CC(OCc3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822556499 606147932 /nfs/dbraw/zinc/14/79/32/606147932.db2.gz CJGUZZIWSJQAKD-UHFFFAOYSA-N -1 3 383.477 3.479 20 0 GGADHM Cc1sc(NC(=O)C2CC(OCc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000822556499 606147934 /nfs/dbraw/zinc/14/79/34/606147934.db2.gz CJGUZZIWSJQAKD-UHFFFAOYSA-N -1 3 383.477 3.479 20 0 GGADHM COCCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C1CCCC1 ZINC000821688415 606152590 /nfs/dbraw/zinc/15/25/90/606152590.db2.gz KHSNJMPDATUXJQ-UHFFFAOYSA-N -1 3 388.472 3.077 20 0 GGADHM COCCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C1CCCC1 ZINC000821688415 606152592 /nfs/dbraw/zinc/15/25/92/606152592.db2.gz KHSNJMPDATUXJQ-UHFFFAOYSA-N -1 3 388.472 3.077 20 0 GGADHM O=C(C/C=C/c1ccc(F)cc1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822945404 606152685 /nfs/dbraw/zinc/15/26/85/606152685.db2.gz DGCAWUKBOXHBJF-OWOJBTEDSA-N -1 3 389.394 3.234 20 0 GGADHM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820043525 606153044 /nfs/dbraw/zinc/15/30/44/606153044.db2.gz ANFXGKYZSOLBBY-YGRLFVJLSA-N -1 3 398.389 3.068 20 0 GGADHM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820043525 606153045 /nfs/dbraw/zinc/15/30/45/606153045.db2.gz ANFXGKYZSOLBBY-YGRLFVJLSA-N -1 3 398.389 3.068 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823299026 606154288 /nfs/dbraw/zinc/15/42/88/606154288.db2.gz DEDZMZBHZVLFLM-VXGBXAGGSA-N -1 3 378.383 3.122 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823299026 606154290 /nfs/dbraw/zinc/15/42/90/606154290.db2.gz DEDZMZBHZVLFLM-VXGBXAGGSA-N -1 3 378.383 3.122 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(F)c(F)c1F ZINC000823299418 606156069 /nfs/dbraw/zinc/15/60/69/606156069.db2.gz WNZYLEQSSUEEHE-UHFFFAOYSA-N -1 3 385.252 3.138 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)c(F)c1F ZINC000823299418 606156071 /nfs/dbraw/zinc/15/60/71/606156071.db2.gz WNZYLEQSSUEEHE-UHFFFAOYSA-N -1 3 385.252 3.138 20 0 GGADHM CC[C@H]1CCCCN1C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820981922 606157145 /nfs/dbraw/zinc/15/71/45/606157145.db2.gz XKZSDEAOILTHRO-LBPRGKRZSA-N -1 3 382.390 3.089 20 0 GGADHM CC[C@H]1CCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820981922 606157148 /nfs/dbraw/zinc/15/71/48/606157148.db2.gz XKZSDEAOILTHRO-LBPRGKRZSA-N -1 3 382.390 3.089 20 0 GGADHM CC(C)n1cc2cc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)ccc2n1 ZINC000820215172 606160580 /nfs/dbraw/zinc/16/05/80/606160580.db2.gz UJXORCPBIJTXEW-UHFFFAOYSA-N -1 3 394.414 3.258 20 0 GGADHM CC(C)n1cc2cc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)ccc2n1 ZINC000820215172 606160582 /nfs/dbraw/zinc/16/05/82/606160582.db2.gz UJXORCPBIJTXEW-UHFFFAOYSA-N -1 3 394.414 3.258 20 0 GGADHM CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821616690 606162069 /nfs/dbraw/zinc/16/20/69/606162069.db2.gz CBHDMQIUIPVJQX-UHFFFAOYSA-N -1 3 387.444 3.005 20 0 GGADHM CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821616690 606162071 /nfs/dbraw/zinc/16/20/71/606162071.db2.gz CBHDMQIUIPVJQX-UHFFFAOYSA-N -1 3 387.444 3.005 20 0 GGADHM Cc1nnc(-c2ccc(NC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000822505967 606162331 /nfs/dbraw/zinc/16/23/31/606162331.db2.gz ZQQPHTQGEPZPHX-LLVKDONJSA-N -1 3 390.407 3.108 20 0 GGADHM Cc1nnc(-c2ccc(NC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000822505967 606162332 /nfs/dbraw/zinc/16/23/32/606162332.db2.gz ZQQPHTQGEPZPHX-LLVKDONJSA-N -1 3 390.407 3.108 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821827431 606164727 /nfs/dbraw/zinc/16/47/27/606164727.db2.gz AFGQHIRZVOVJJN-UHFFFAOYSA-N -1 3 390.806 3.109 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821827431 606164728 /nfs/dbraw/zinc/16/47/28/606164728.db2.gz AFGQHIRZVOVJJN-UHFFFAOYSA-N -1 3 390.806 3.109 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820455442 606173258 /nfs/dbraw/zinc/17/32/58/606173258.db2.gz IPPUXCSIHYJFFA-CQSZACIVSA-N -1 3 380.452 3.326 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820455442 606173259 /nfs/dbraw/zinc/17/32/59/606173259.db2.gz IPPUXCSIHYJFFA-CQSZACIVSA-N -1 3 380.452 3.326 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820456316 606173436 /nfs/dbraw/zinc/17/34/36/606173436.db2.gz SIFFJIAFZOMOCV-CQSZACIVSA-N -1 3 380.452 3.326 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820456316 606173438 /nfs/dbraw/zinc/17/34/38/606173438.db2.gz SIFFJIAFZOMOCV-CQSZACIVSA-N -1 3 380.452 3.326 20 0 GGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000822728985 606174994 /nfs/dbraw/zinc/17/49/94/606174994.db2.gz PUVKNMKBGNHORA-UHFFFAOYSA-N -1 3 377.326 3.269 20 0 GGADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000822728985 606174995 /nfs/dbraw/zinc/17/49/95/606174995.db2.gz PUVKNMKBGNHORA-UHFFFAOYSA-N -1 3 377.326 3.269 20 0 GGADHM COc1cccc(CNc2ccc(Br)cc2-c2nnn[n-]2)c1OC ZINC000821867333 606175574 /nfs/dbraw/zinc/17/55/74/606175574.db2.gz CIIKAPYWOBPCIU-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cccc(CNc2ccc(Br)cc2-c2nn[n-]n2)c1OC ZINC000821867333 606175575 /nfs/dbraw/zinc/17/55/75/606175575.db2.gz CIIKAPYWOBPCIU-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM CCN(CC)C(=O)c1cccc(OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000821175798 606176784 /nfs/dbraw/zinc/17/67/84/606176784.db2.gz WDWAWOXSAILBHL-UHFFFAOYSA-N -1 3 390.447 3.180 20 0 GGADHM CCN(CC)C(=O)c1cccc(OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000821175798 606176785 /nfs/dbraw/zinc/17/67/85/606176785.db2.gz WDWAWOXSAILBHL-UHFFFAOYSA-N -1 3 390.447 3.180 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000822136114 606177370 /nfs/dbraw/zinc/17/73/70/606177370.db2.gz JDEJDWPFCKNLLK-INIZCTEOSA-N -1 3 391.475 3.381 20 0 GGADHM Cc1ccc(-c2nc(C[S@@](=O)Cc3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000822213780 606180393 /nfs/dbraw/zinc/18/03/93/606180393.db2.gz ALJFUWRBEBAGCL-MHZLTWQESA-N -1 3 379.445 3.279 20 0 GGADHM Cc1ccc(-c2nc(C[S@@](=O)Cc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000822213780 606180394 /nfs/dbraw/zinc/18/03/94/606180394.db2.gz ALJFUWRBEBAGCL-MHZLTWQESA-N -1 3 379.445 3.279 20 0 GGADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC000820512069 606181620 /nfs/dbraw/zinc/18/16/20/606181620.db2.gz GGRWXPKRWDGYKX-GOEBONIOSA-N -1 3 394.431 3.028 20 0 GGADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC000820512069 606181621 /nfs/dbraw/zinc/18/16/21/606181621.db2.gz GGRWXPKRWDGYKX-GOEBONIOSA-N -1 3 394.431 3.028 20 0 GGADHM C[C@@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCOC1 ZINC000820512057 606181625 /nfs/dbraw/zinc/18/16/25/606181625.db2.gz GDSVLIMBGOSYEZ-RDTXWAMCSA-N -1 3 394.431 3.028 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ncccc1OC(C)C ZINC000820087370 606184465 /nfs/dbraw/zinc/18/44/65/606184465.db2.gz QGXHIIQOSBHITC-UHFFFAOYSA-N -1 3 394.479 3.347 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ncccc1OC(C)C ZINC000820087370 606184468 /nfs/dbraw/zinc/18/44/68/606184468.db2.gz QGXHIIQOSBHITC-UHFFFAOYSA-N -1 3 394.479 3.347 20 0 GGADHM COCCCOc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821688205 606188938 /nfs/dbraw/zinc/18/89/38/606188938.db2.gz BXJXDLPMDMCTML-UHFFFAOYSA-N -1 3 399.476 3.013 20 0 GGADHM COCCCOc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821688205 606188940 /nfs/dbraw/zinc/18/89/40/606188940.db2.gz BXJXDLPMDMCTML-UHFFFAOYSA-N -1 3 399.476 3.013 20 0 GGADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820819130 606190895 /nfs/dbraw/zinc/19/08/95/606190895.db2.gz FPGJIZKSUAPWIV-OLZOCXBDSA-N -1 3 381.461 3.161 20 0 GGADHM CC(C)=C(C)C(=O)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820004790 606192200 /nfs/dbraw/zinc/19/22/00/606192200.db2.gz CDNAJCCZJOREPA-UHFFFAOYSA-N -1 3 389.481 3.035 20 0 GGADHM CC(C)=C(C)C(=O)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820004790 606192201 /nfs/dbraw/zinc/19/22/01/606192201.db2.gz CDNAJCCZJOREPA-UHFFFAOYSA-N -1 3 389.481 3.035 20 0 GGADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348860 606193781 /nfs/dbraw/zinc/19/37/81/606193781.db2.gz GQILYHUHNIIINL-LLVKDONJSA-N -1 3 386.406 3.440 20 0 GGADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348860 606193782 /nfs/dbraw/zinc/19/37/82/606193782.db2.gz GQILYHUHNIIINL-LLVKDONJSA-N -1 3 386.406 3.440 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCSC2(CCCCC2)C1 ZINC000823332512 606194577 /nfs/dbraw/zinc/19/45/77/606194577.db2.gz OEGMAZCRWAEKJM-UHFFFAOYSA-N -1 3 376.461 3.289 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCSC2(CCCCC2)C1 ZINC000823332512 606194579 /nfs/dbraw/zinc/19/45/79/606194579.db2.gz OEGMAZCRWAEKJM-UHFFFAOYSA-N -1 3 376.461 3.289 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000823359758 606194668 /nfs/dbraw/zinc/19/46/68/606194668.db2.gz SBFLIMUAXKOCGE-GJZGRUSLSA-N -1 3 384.465 3.048 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000823359758 606194669 /nfs/dbraw/zinc/19/46/69/606194669.db2.gz SBFLIMUAXKOCGE-GJZGRUSLSA-N -1 3 384.465 3.048 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000822352405 606195779 /nfs/dbraw/zinc/19/57/79/606195779.db2.gz YUAFZBKQPRYFET-QGZVFWFLSA-N -1 3 392.463 3.017 20 0 GGADHM Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000822352405 606195780 /nfs/dbraw/zinc/19/57/80/606195780.db2.gz YUAFZBKQPRYFET-QGZVFWFLSA-N -1 3 392.463 3.017 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820727619 606198466 /nfs/dbraw/zinc/19/84/66/606198466.db2.gz NAHSVSYNNFPMAI-BBATYDOGSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820727619 606198467 /nfs/dbraw/zinc/19/84/67/606198467.db2.gz NAHSVSYNNFPMAI-BBATYDOGSA-N -1 3 398.417 3.268 20 0 GGADHM Clc1cccc(N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)c1 ZINC000822586107 606200248 /nfs/dbraw/zinc/20/02/48/606200248.db2.gz SCGCWTVIOIKSHT-LBPRGKRZSA-N -1 3 376.251 3.259 20 0 GGADHM Clc1cccc(N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)c1 ZINC000822586107 606200250 /nfs/dbraw/zinc/20/02/50/606200250.db2.gz SCGCWTVIOIKSHT-LBPRGKRZSA-N -1 3 376.251 3.259 20 0 GGADHM O[C@H](C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000823672901 606201121 /nfs/dbraw/zinc/20/11/21/606201121.db2.gz HTKDLBWHQPAKDN-WCQYABFASA-N -1 3 376.873 3.069 20 0 GGADHM O[C@H](C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000823672901 606201123 /nfs/dbraw/zinc/20/11/23/606201123.db2.gz HTKDLBWHQPAKDN-WCQYABFASA-N -1 3 376.873 3.069 20 0 GGADHM Cc1ccccc1[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000822350510 606202101 /nfs/dbraw/zinc/20/21/01/606202101.db2.gz DNUZYJNUXMFVKF-GOSISDBHSA-N -1 3 399.520 3.382 20 0 GGADHM Cc1ccccc1[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000822350510 606202103 /nfs/dbraw/zinc/20/21/03/606202103.db2.gz DNUZYJNUXMFVKF-GOSISDBHSA-N -1 3 399.520 3.382 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000822655809 606209528 /nfs/dbraw/zinc/20/95/28/606209528.db2.gz YPRVMSWAPATEGK-UHFFFAOYSA-N -1 3 391.869 3.296 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000822655809 606209530 /nfs/dbraw/zinc/20/95/30/606209530.db2.gz YPRVMSWAPATEGK-UHFFFAOYSA-N -1 3 391.869 3.296 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821828420 606213745 /nfs/dbraw/zinc/21/37/45/606213745.db2.gz VSRJZEOXNULOOW-UHFFFAOYSA-N -1 3 394.460 3.122 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821828420 606213747 /nfs/dbraw/zinc/21/37/47/606213747.db2.gz VSRJZEOXNULOOW-UHFFFAOYSA-N -1 3 394.460 3.122 20 0 GGADHM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821618019 606221384 /nfs/dbraw/zinc/22/13/84/606221384.db2.gz MHTCJISJFAOKDO-UHFFFAOYSA-N -1 3 387.369 3.409 20 0 GGADHM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821618019 606221385 /nfs/dbraw/zinc/22/13/85/606221385.db2.gz MHTCJISJFAOKDO-UHFFFAOYSA-N -1 3 387.369 3.409 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1occc1Br ZINC000819976611 606232252 /nfs/dbraw/zinc/23/22/52/606232252.db2.gz ZDJKNCXYAYNLCQ-UHFFFAOYSA-N -1 3 379.218 3.031 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1occc1Br ZINC000819976611 606232254 /nfs/dbraw/zinc/23/22/54/606232254.db2.gz ZDJKNCXYAYNLCQ-UHFFFAOYSA-N -1 3 379.218 3.031 20 0 GGADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c(-c2nc3ccccc3[nH]2)c1 ZINC000822254181 606236258 /nfs/dbraw/zinc/23/62/58/606236258.db2.gz BZDZPDCUVGERAB-UHFFFAOYSA-N -1 3 398.430 3.309 20 0 GGADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c(-c2nc3ccccc3[nH]2)c1 ZINC000822254181 606236260 /nfs/dbraw/zinc/23/62/60/606236260.db2.gz BZDZPDCUVGERAB-UHFFFAOYSA-N -1 3 398.430 3.309 20 0 GGADHM CCc1nc(Cl)c(C)c(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821509584 606239619 /nfs/dbraw/zinc/23/96/19/606239619.db2.gz JQHGIJVQISYMJL-UHFFFAOYSA-N -1 3 399.886 3.229 20 0 GGADHM O=C1[C@@H](Nc2cc(Cl)ccc2Cl)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823514221 606242628 /nfs/dbraw/zinc/24/26/28/606242628.db2.gz XSVPTSNSDIRCQX-AWEZNQCLSA-N -1 3 389.246 3.391 20 0 GGADHM O=C1[C@@H](Nc2cc(Cl)ccc2Cl)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823514221 606242630 /nfs/dbraw/zinc/24/26/30/606242630.db2.gz XSVPTSNSDIRCQX-AWEZNQCLSA-N -1 3 389.246 3.391 20 0 GGADHM O=C1[C@@H](Nc2cccc3ccccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512182 606242823 /nfs/dbraw/zinc/24/28/23/606242823.db2.gz LYAFUWPZCUTLHJ-INIZCTEOSA-N -1 3 376.445 3.299 20 0 GGADHM O=C1[C@@H](Nc2cccc3ccccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512182 606242824 /nfs/dbraw/zinc/24/28/24/606242824.db2.gz LYAFUWPZCUTLHJ-INIZCTEOSA-N -1 3 376.445 3.299 20 0 GGADHM CCCCOc1ccc(C2=NC(=Cc3cc(-c4nnn[n-]4)cs3)C(=O)O2)cc1 ZINC000821077940 606243880 /nfs/dbraw/zinc/24/38/80/606243880.db2.gz XVELXHMGBRPDIB-MHWRWJLKSA-N -1 3 395.444 3.452 20 0 GGADHM CCCCOc1ccc(C2=NC(=Cc3cc(-c4nn[n-]n4)cs3)C(=O)O2)cc1 ZINC000821077940 606243882 /nfs/dbraw/zinc/24/38/82/606243882.db2.gz XVELXHMGBRPDIB-MHWRWJLKSA-N -1 3 395.444 3.452 20 0 GGADHM CCCCOc1ccccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821077834 606248002 /nfs/dbraw/zinc/24/80/02/606248002.db2.gz VXXXLMKQHNGJSH-SFHVURJKSA-N -1 3 392.463 3.263 20 0 GGADHM CCCCOc1ccccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821077834 606248004 /nfs/dbraw/zinc/24/80/04/606248004.db2.gz VXXXLMKQHNGJSH-SFHVURJKSA-N -1 3 392.463 3.263 20 0 GGADHM O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000823368382 606252273 /nfs/dbraw/zinc/25/22/73/606252273.db2.gz VRTVEKHTMPKDQV-UHFFFAOYSA-N -1 3 388.391 3.091 20 0 GGADHM O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000823368382 606252274 /nfs/dbraw/zinc/25/22/74/606252274.db2.gz VRTVEKHTMPKDQV-UHFFFAOYSA-N -1 3 388.391 3.091 20 0 GGADHM O=C(Nc1cccc(Cl)n1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823363382 606259904 /nfs/dbraw/zinc/25/99/04/606259904.db2.gz AMYUGLSKYVPKNA-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM O=C(Nc1cccc(Cl)n1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823363382 606259905 /nfs/dbraw/zinc/25/99/05/606259905.db2.gz AMYUGLSKYVPKNA-UHFFFAOYSA-N -1 3 396.794 3.339 20 0 GGADHM Cc1sc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1-c1ccc(Cl)cc1 ZINC000822553044 606262390 /nfs/dbraw/zinc/26/23/90/606262390.db2.gz HNHHBPBFGBEBHU-UHFFFAOYSA-N -1 3 399.867 3.210 20 0 GGADHM Cc1sc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1-c1ccc(Cl)cc1 ZINC000822553044 606262392 /nfs/dbraw/zinc/26/23/92/606262392.db2.gz HNHHBPBFGBEBHU-UHFFFAOYSA-N -1 3 399.867 3.210 20 0 GGADHM O=C(Nc1cccc(COCCc2ccccc2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823363895 606264483 /nfs/dbraw/zinc/26/44/83/606264483.db2.gz QMZRNBFYUXIJIS-UHFFFAOYSA-N -1 3 388.431 3.206 20 0 GGADHM O=C(Nc1cccc(COCCc2ccccc2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823363895 606264484 /nfs/dbraw/zinc/26/44/84/606264484.db2.gz QMZRNBFYUXIJIS-UHFFFAOYSA-N -1 3 388.431 3.206 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822986685 606267506 /nfs/dbraw/zinc/26/75/06/606267506.db2.gz KOXCBXPRZPGGOQ-UHFFFAOYSA-N -1 3 378.367 3.232 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822986685 606267507 /nfs/dbraw/zinc/26/75/07/606267507.db2.gz KOXCBXPRZPGGOQ-UHFFFAOYSA-N -1 3 378.367 3.232 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820549540 606271521 /nfs/dbraw/zinc/27/15/21/606271521.db2.gz ORMUGZYSQIWMRZ-VIFPVBQESA-N -1 3 395.316 3.431 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820549540 606271523 /nfs/dbraw/zinc/27/15/23/606271523.db2.gz ORMUGZYSQIWMRZ-VIFPVBQESA-N -1 3 395.316 3.431 20 0 GGADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822303740 606275738 /nfs/dbraw/zinc/27/57/38/606275738.db2.gz HNXZFIPDGLTOIG-UHFFFAOYSA-N -1 3 399.458 3.116 20 0 GGADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822303740 606275739 /nfs/dbraw/zinc/27/57/39/606275739.db2.gz HNXZFIPDGLTOIG-UHFFFAOYSA-N -1 3 399.458 3.116 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000820027004 606279426 /nfs/dbraw/zinc/27/94/26/606279426.db2.gz PDXJUIXUGNCISI-AWEZNQCLSA-N -1 3 378.358 3.341 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000820027004 606279428 /nfs/dbraw/zinc/27/94/28/606279428.db2.gz PDXJUIXUGNCISI-AWEZNQCLSA-N -1 3 378.358 3.341 20 0 GGADHM C[C@]1(CCc2ccccc2)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612385 606281040 /nfs/dbraw/zinc/28/10/40/606281040.db2.gz CTKBDBGRAWEHNZ-QFIPXVFZSA-N -1 3 391.475 3.117 20 0 GGADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC000819965418 606286500 /nfs/dbraw/zinc/28/65/00/606286500.db2.gz GBJOVGVNDCRAKA-CYBMUJFWSA-N -1 3 385.497 3.316 20 0 GGADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC000819965418 606286502 /nfs/dbraw/zinc/28/65/02/606286502.db2.gz GBJOVGVNDCRAKA-CYBMUJFWSA-N -1 3 385.497 3.316 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820211780 606288272 /nfs/dbraw/zinc/28/82/72/606288272.db2.gz XGARVWVEJNZMTG-QGZVFWFLSA-N -1 3 390.451 3.103 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820211780 606288275 /nfs/dbraw/zinc/28/82/75/606288275.db2.gz XGARVWVEJNZMTG-QGZVFWFLSA-N -1 3 390.451 3.103 20 0 GGADHM Cc1cc(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)sn1 ZINC000822209735 606298123 /nfs/dbraw/zinc/29/81/23/606298123.db2.gz UMKYURZMKPDNSD-UHFFFAOYSA-N -1 3 392.444 3.463 20 0 GGADHM COC(=O)[C@@H](Nc1ccc2oc(C(C)C)nc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644995 606300484 /nfs/dbraw/zinc/30/04/84/606300484.db2.gz OJIXNYMDLXMSQR-KRWDZBQOSA-N -1 3 392.419 3.458 20 0 GGADHM COC(=O)[C@@H](Nc1ccc2oc(C(C)C)nc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644995 606300485 /nfs/dbraw/zinc/30/04/85/606300485.db2.gz OJIXNYMDLXMSQR-KRWDZBQOSA-N -1 3 392.419 3.458 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OCC(F)F)cc1 ZINC000823066122 606301406 /nfs/dbraw/zinc/30/14/06/606301406.db2.gz MQZIXSAYXPOZCX-UHFFFAOYSA-N -1 3 391.403 3.241 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OCC(F)F)cc1 ZINC000823066122 606301407 /nfs/dbraw/zinc/30/14/07/606301407.db2.gz MQZIXSAYXPOZCX-UHFFFAOYSA-N -1 3 391.403 3.241 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641295 606301560 /nfs/dbraw/zinc/30/15/60/606301560.db2.gz ZOLOWQJTYWFXOU-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641295 606301562 /nfs/dbraw/zinc/30/15/62/606301562.db2.gz ZOLOWQJTYWFXOU-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM CC[C@@H](C)Oc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820876174 606302919 /nfs/dbraw/zinc/30/29/19/606302919.db2.gz MRKZXICHNICTAD-WBMJQRKESA-N -1 3 398.492 3.323 20 0 GGADHM CC[C@@H](C)Oc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000820876174 606302921 /nfs/dbraw/zinc/30/29/21/606302921.db2.gz MRKZXICHNICTAD-WBMJQRKESA-N -1 3 398.492 3.323 20 0 GGADHM CC[C@H](C)Oc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820875847 606302975 /nfs/dbraw/zinc/30/29/75/606302975.db2.gz HIUGWCNLHQDYPN-SCLBCKFNSA-N -1 3 381.436 3.370 20 0 GGADHM CC[C@H](C)Oc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820875847 606302976 /nfs/dbraw/zinc/30/29/76/606302976.db2.gz HIUGWCNLHQDYPN-SCLBCKFNSA-N -1 3 381.436 3.370 20 0 GGADHM CC[C@H](C)Oc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820876171 606303059 /nfs/dbraw/zinc/30/30/59/606303059.db2.gz MRKZXICHNICTAD-BLLLJJGKSA-N -1 3 398.492 3.323 20 0 GGADHM CC[C@H](C)Oc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000820876171 606303061 /nfs/dbraw/zinc/30/30/61/606303061.db2.gz MRKZXICHNICTAD-BLLLJJGKSA-N -1 3 398.492 3.323 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641216 606303528 /nfs/dbraw/zinc/30/35/28/606303528.db2.gz YIKDJKJKPSKUPJ-HWPZZCPQSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641216 606303530 /nfs/dbraw/zinc/30/35/30/606303530.db2.gz YIKDJKJKPSKUPJ-HWPZZCPQSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644722 606303976 /nfs/dbraw/zinc/30/39/76/606303976.db2.gz HJZLFMOAMCAOJJ-LJQANCHMSA-N -1 3 393.447 3.120 20 0 GGADHM COC(=O)[C@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644722 606303978 /nfs/dbraw/zinc/30/39/78/606303978.db2.gz HJZLFMOAMCAOJJ-LJQANCHMSA-N -1 3 393.447 3.120 20 0 GGADHM COC(=O)[C@H](NCCCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821643238 606305357 /nfs/dbraw/zinc/30/53/57/606305357.db2.gz YRYNLOHQHRDFOB-LJQANCHMSA-N -1 3 379.464 3.083 20 0 GGADHM COC(=O)[C@H](NCCCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821643238 606305358 /nfs/dbraw/zinc/30/53/58/606305358.db2.gz YRYNLOHQHRDFOB-LJQANCHMSA-N -1 3 379.464 3.083 20 0 GGADHM c1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1OCc1nc(C2CC2)no1 ZINC000823762034 606307629 /nfs/dbraw/zinc/30/76/29/606307629.db2.gz FVQGUQOUOLOSGE-UHFFFAOYSA-N -1 3 376.376 3.498 20 0 GGADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1OCc1nc(C2CC2)no1 ZINC000823762034 606307631 /nfs/dbraw/zinc/30/76/31/606307631.db2.gz FVQGUQOUOLOSGE-UHFFFAOYSA-N -1 3 376.376 3.498 20 0 GGADHM CC(=O)[C@@H](C)S[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819781973 606311770 /nfs/dbraw/zinc/31/17/70/606311770.db2.gz GDQPXTNMYKRSKR-MNOVXSKESA-N -1 3 393.538 3.235 20 0 GGADHM CC(=O)[C@@H](C)S[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000819781973 606311771 /nfs/dbraw/zinc/31/17/71/606311771.db2.gz GDQPXTNMYKRSKR-MNOVXSKESA-N -1 3 393.538 3.235 20 0 GGADHM O=C1[C@H](Sc2cc(F)ccc2F)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512698 606312015 /nfs/dbraw/zinc/31/20/15/606312015.db2.gz QXISWBUTECHBLK-LLVKDONJSA-N -1 3 379.417 3.104 20 0 GGADHM O=C1[C@H](Sc2cc(F)ccc2F)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512698 606312017 /nfs/dbraw/zinc/31/20/17/606312017.db2.gz QXISWBUTECHBLK-LLVKDONJSA-N -1 3 379.417 3.104 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccc2ccccc2c1 ZINC000821650609 606314143 /nfs/dbraw/zinc/31/41/43/606314143.db2.gz VMFYPYKOZKTIAH-HXUWFJFHSA-N -1 3 387.443 3.366 20 0 GGADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccc2ccccc2c1 ZINC000821650609 606314145 /nfs/dbraw/zinc/31/41/45/606314145.db2.gz VMFYPYKOZKTIAH-HXUWFJFHSA-N -1 3 387.443 3.366 20 0 GGADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000821154153 606322163 /nfs/dbraw/zinc/32/21/63/606322163.db2.gz KLNZDSLOOUYIDP-LJQANCHMSA-N -1 3 387.447 3.150 20 0 GGADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000821154153 606322164 /nfs/dbraw/zinc/32/21/64/606322164.db2.gz KLNZDSLOOUYIDP-LJQANCHMSA-N -1 3 387.447 3.150 20 0 GGADHM CCS[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821454487 606325022 /nfs/dbraw/zinc/32/50/22/606325022.db2.gz GISNBSRIGRQCHD-SJORKVTESA-N -1 3 389.525 3.206 20 0 GGADHM CCS[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821454487 606325024 /nfs/dbraw/zinc/32/50/24/606325024.db2.gz GISNBSRIGRQCHD-SJORKVTESA-N -1 3 389.525 3.206 20 0 GGADHM O=S(=O)(CCSc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561388 606330161 /nfs/dbraw/zinc/33/01/61/606330161.db2.gz DPNSPLRPFZLNMT-UHFFFAOYSA-N -1 3 380.882 3.086 20 0 GGADHM O=S(=O)(CCSc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561388 606330163 /nfs/dbraw/zinc/33/01/63/606330163.db2.gz DPNSPLRPFZLNMT-UHFFFAOYSA-N -1 3 380.882 3.086 20 0 GGADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000821652160 606331268 /nfs/dbraw/zinc/33/12/68/606331268.db2.gz NAZBXBLBDNHIDT-YSSFQJQWSA-N -1 3 391.475 3.206 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000821105206 606335447 /nfs/dbraw/zinc/33/54/47/606335447.db2.gz YUUPUGCQWBJXDE-UHFFFAOYSA-N -1 3 393.344 3.476 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000821105206 606335448 /nfs/dbraw/zinc/33/54/48/606335448.db2.gz YUUPUGCQWBJXDE-UHFFFAOYSA-N -1 3 393.344 3.476 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000819976152 606335575 /nfs/dbraw/zinc/33/55/75/606335575.db2.gz OPAWMVNMUFWZDK-UHFFFAOYSA-N -1 3 382.399 3.490 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000819976152 606335577 /nfs/dbraw/zinc/33/55/77/606335577.db2.gz OPAWMVNMUFWZDK-UHFFFAOYSA-N -1 3 382.399 3.490 20 0 GGADHM C[C@@]1(CCc2ccccc2)CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820613040 606337698 /nfs/dbraw/zinc/33/76/98/606337698.db2.gz QXDIZGQRSNREPS-HXUWFJFHSA-N -1 3 396.520 3.212 20 0 GGADHM CC(C)[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccnc1 ZINC000820020811 606342217 /nfs/dbraw/zinc/34/22/17/606342217.db2.gz KJCSIWQEQAABIJ-HNNXBMFYSA-N -1 3 385.859 3.476 20 0 GGADHM CC(C)[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccnc1 ZINC000820020811 606342219 /nfs/dbraw/zinc/34/22/19/606342219.db2.gz KJCSIWQEQAABIJ-HNNXBMFYSA-N -1 3 385.859 3.476 20 0 GGADHM CCC(CC)(CO)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820887695 606344360 /nfs/dbraw/zinc/34/43/60/606344360.db2.gz MFJSSUJWJUXFBO-UHFFFAOYSA-N -1 3 396.451 3.332 20 0 GGADHM CCC(CC)(CO)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820887695 606344361 /nfs/dbraw/zinc/34/43/61/606344361.db2.gz MFJSSUJWJUXFBO-UHFFFAOYSA-N -1 3 396.451 3.332 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820818664 606344490 /nfs/dbraw/zinc/34/44/90/606344490.db2.gz ALQURICWYJAZEY-WDEREUQCSA-N -1 3 395.444 3.217 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820818664 606344492 /nfs/dbraw/zinc/34/44/92/606344492.db2.gz ALQURICWYJAZEY-WDEREUQCSA-N -1 3 395.444 3.217 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820818663 606344656 /nfs/dbraw/zinc/34/46/56/606344656.db2.gz ALQURICWYJAZEY-QWRGUYRKSA-N -1 3 395.444 3.217 20 0 GGADHM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820818663 606344658 /nfs/dbraw/zinc/34/46/58/606344658.db2.gz ALQURICWYJAZEY-QWRGUYRKSA-N -1 3 395.444 3.217 20 0 GGADHM COc1ccc(CCCN(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821790807 606347499 /nfs/dbraw/zinc/34/74/99/606347499.db2.gz UUZSDAMQCMYCFO-UHFFFAOYSA-N -1 3 384.415 3.111 20 0 GGADHM COc1ccc(CCCN(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821790807 606347501 /nfs/dbraw/zinc/34/75/01/606347501.db2.gz UUZSDAMQCMYCFO-UHFFFAOYSA-N -1 3 384.415 3.111 20 0 GGADHM CSc1nc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c2ccccn21 ZINC000821988746 606348051 /nfs/dbraw/zinc/34/80/51/606348051.db2.gz GPPWYRXQRPXAFV-NSHDSACASA-N -1 3 380.433 3.154 20 0 GGADHM CSc1nc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c2ccccn21 ZINC000821988746 606348052 /nfs/dbraw/zinc/34/80/52/606348052.db2.gz GPPWYRXQRPXAFV-NSHDSACASA-N -1 3 380.433 3.154 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823343670 606348288 /nfs/dbraw/zinc/34/82/88/606348288.db2.gz DFWKJWPBSPUIGK-CRAIPNDOSA-N -1 3 396.426 3.126 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823343670 606348290 /nfs/dbraw/zinc/34/82/90/606348290.db2.gz DFWKJWPBSPUIGK-CRAIPNDOSA-N -1 3 396.426 3.126 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000823343673 606348441 /nfs/dbraw/zinc/34/84/41/606348441.db2.gz DFWKJWPBSPUIGK-YJBOKZPZSA-N -1 3 396.426 3.126 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000823343673 606348443 /nfs/dbraw/zinc/34/84/43/606348443.db2.gz DFWKJWPBSPUIGK-YJBOKZPZSA-N -1 3 396.426 3.126 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821890097 606349485 /nfs/dbraw/zinc/34/94/85/606349485.db2.gz JTXPTMUZVOHWET-HNNXBMFYSA-N -1 3 396.426 3.253 20 0 GGADHM COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821890097 606349487 /nfs/dbraw/zinc/34/94/87/606349487.db2.gz JTXPTMUZVOHWET-HNNXBMFYSA-N -1 3 396.426 3.253 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000823344025 606349993 /nfs/dbraw/zinc/34/99/93/606349993.db2.gz OEGNMTDUWYNBLH-SFHVURJKSA-N -1 3 389.394 3.312 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000823344025 606349995 /nfs/dbraw/zinc/34/99/95/606349995.db2.gz OEGNMTDUWYNBLH-SFHVURJKSA-N -1 3 389.394 3.312 20 0 GGADHM Cc1nc(C(C)(C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)sc1C ZINC000822423473 606356389 /nfs/dbraw/zinc/35/63/89/606356389.db2.gz LHJJZZBNJTVATL-UHFFFAOYSA-N -1 3 375.433 3.136 20 0 GGADHM Cc1nc(C(C)(C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)sc1C ZINC000822423473 606356390 /nfs/dbraw/zinc/35/63/90/606356390.db2.gz LHJJZZBNJTVATL-UHFFFAOYSA-N -1 3 375.433 3.136 20 0 GGADHM C[C@@H](OC(=O)Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502126 606356443 /nfs/dbraw/zinc/35/64/43/606356443.db2.gz NMOWHOBFFBCEMM-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM C[C@@H](OC(=O)Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502126 606356445 /nfs/dbraw/zinc/35/64/45/606356445.db2.gz NMOWHOBFFBCEMM-LLVKDONJSA-N -1 3 387.237 3.476 20 0 GGADHM CC[C@](C)(NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000820853004 606356866 /nfs/dbraw/zinc/35/68/66/606356866.db2.gz IXLYSBOVJHHPIU-INIZCTEOSA-N -1 3 375.433 3.218 20 0 GGADHM CC[C@](C)(NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000820853004 606356867 /nfs/dbraw/zinc/35/68/67/606356867.db2.gz IXLYSBOVJHHPIU-INIZCTEOSA-N -1 3 375.433 3.218 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820908298 606356948 /nfs/dbraw/zinc/35/69/48/606356948.db2.gz KJDBIRYXCWKCKG-LBPRGKRZSA-N -1 3 388.378 3.124 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820908298 606356950 /nfs/dbraw/zinc/35/69/50/606356950.db2.gz KJDBIRYXCWKCKG-LBPRGKRZSA-N -1 3 388.378 3.124 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488534 606357776 /nfs/dbraw/zinc/35/77/76/606357776.db2.gz OZVQNVWVVKTNAX-ZLIFDBKOSA-N -1 3 392.415 3.046 20 0 GGADHM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488534 606357778 /nfs/dbraw/zinc/35/77/78/606357778.db2.gz OZVQNVWVVKTNAX-ZLIFDBKOSA-N -1 3 392.415 3.046 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C12CCCC2 ZINC000821358642 606357779 /nfs/dbraw/zinc/35/77/79/606357779.db2.gz JRLKEAGHBLWDQL-HOTGVXAUSA-N -1 3 388.447 3.207 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C12CCCC2 ZINC000821358642 606357781 /nfs/dbraw/zinc/35/77/81/606357781.db2.gz JRLKEAGHBLWDQL-HOTGVXAUSA-N -1 3 388.447 3.207 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502113 606358337 /nfs/dbraw/zinc/35/83/37/606358337.db2.gz NJEPWHKGWPNYDS-GFCCVEGCSA-N -1 3 392.444 3.232 20 0 GGADHM C[C@@H](OC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502113 606358339 /nfs/dbraw/zinc/35/83/39/606358339.db2.gz NJEPWHKGWPNYDS-GFCCVEGCSA-N -1 3 392.444 3.232 20 0 GGADHM C[C@@H](OC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512928 606359522 /nfs/dbraw/zinc/35/95/22/606359522.db2.gz PRCRRJJBRLRFNY-CYBMUJFWSA-N -1 3 391.431 3.158 20 0 GGADHM C[C@@H](OC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512928 606359524 /nfs/dbraw/zinc/35/95/24/606359524.db2.gz PRCRRJJBRLRFNY-CYBMUJFWSA-N -1 3 391.431 3.158 20 0 GGADHM C[C@H](OCC1CC1)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820519130 606360654 /nfs/dbraw/zinc/36/06/54/606360654.db2.gz PRVKHWDFBMYVRI-ZDUSSCGKSA-N -1 3 380.404 3.380 20 0 GGADHM C[C@H](OCC1CC1)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820519130 606360656 /nfs/dbraw/zinc/36/06/56/606360656.db2.gz PRVKHWDFBMYVRI-ZDUSSCGKSA-N -1 3 380.404 3.380 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2[C@H]1C ZINC000820033400 606360844 /nfs/dbraw/zinc/36/08/44/606360844.db2.gz UWZBLSNLVCWMLJ-QRWLVFNGSA-N -1 3 391.475 3.416 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2[C@H]1C ZINC000820033400 606360845 /nfs/dbraw/zinc/36/08/45/606360845.db2.gz UWZBLSNLVCWMLJ-QRWLVFNGSA-N -1 3 391.475 3.416 20 0 GGADHM CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000820359616 606362063 /nfs/dbraw/zinc/36/20/63/606362063.db2.gz UCLLJSYNQLTINT-RDTXWAMCSA-N -1 3 379.468 3.062 20 0 GGADHM CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000820359616 606362064 /nfs/dbraw/zinc/36/20/64/606362064.db2.gz UCLLJSYNQLTINT-RDTXWAMCSA-N -1 3 379.468 3.062 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820938729 606362486 /nfs/dbraw/zinc/36/24/86/606362486.db2.gz MRCSNOFCIDFIAP-OAHLLOKOSA-N -1 3 389.818 3.133 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820938729 606362488 /nfs/dbraw/zinc/36/24/88/606362488.db2.gz MRCSNOFCIDFIAP-OAHLLOKOSA-N -1 3 389.818 3.133 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000823215781 606363562 /nfs/dbraw/zinc/36/35/62/606363562.db2.gz UHRHMEPFCINXQV-UHFFFAOYSA-N -1 3 391.387 3.061 20 0 GGADHM COC(=O)[C@H](OC(=O)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821648209 606366119 /nfs/dbraw/zinc/36/61/19/606366119.db2.gz DQTNUUYYBDSYEF-GOSISDBHSA-N -1 3 388.383 3.091 20 0 GGADHM COC(=O)[C@H](OC(=O)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821648209 606366120 /nfs/dbraw/zinc/36/61/20/606366120.db2.gz DQTNUUYYBDSYEF-GOSISDBHSA-N -1 3 388.383 3.091 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000820220525 606371355 /nfs/dbraw/zinc/37/13/55/606371355.db2.gz WCQZSFHNWLOHRV-NSHDSACASA-N -1 3 375.473 3.029 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC000820220525 606371358 /nfs/dbraw/zinc/37/13/58/606371358.db2.gz WCQZSFHNWLOHRV-NSHDSACASA-N -1 3 375.473 3.029 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1C2CCC1CC2 ZINC000819877215 606373071 /nfs/dbraw/zinc/37/30/71/606373071.db2.gz RDFWIABBHGTZQB-PNESKVBLSA-N -1 3 386.525 3.151 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1(C)C ZINC000821360413 606380259 /nfs/dbraw/zinc/38/02/59/606380259.db2.gz RELSACMECKRLHS-UONOGXRCSA-N -1 3 378.864 3.187 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000821360413 606380260 /nfs/dbraw/zinc/38/02/60/606380260.db2.gz RELSACMECKRLHS-UONOGXRCSA-N -1 3 378.864 3.187 20 0 GGADHM C[C@@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488701 606399220 /nfs/dbraw/zinc/39/92/20/606399220.db2.gz SDBZHHUTDRNZDR-GFCCVEGCSA-N -1 3 395.394 3.029 20 0 GGADHM C[C@@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488701 606399221 /nfs/dbraw/zinc/39/92/21/606399221.db2.gz SDBZHHUTDRNZDR-GFCCVEGCSA-N -1 3 395.394 3.029 20 0 GGADHM COc1ccc2nc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)ccc2c1 ZINC000821854568 606413490 /nfs/dbraw/zinc/41/34/90/606413490.db2.gz NFJMCNPYRSDAQD-UHFFFAOYSA-N -1 3 394.822 3.354 20 0 GGADHM COc1ccc2nc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)ccc2c1 ZINC000821854568 606413491 /nfs/dbraw/zinc/41/34/91/606413491.db2.gz NFJMCNPYRSDAQD-UHFFFAOYSA-N -1 3 394.822 3.354 20 0 GGADHM C[C@H](N[C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820402754 606415062 /nfs/dbraw/zinc/41/50/62/606415062.db2.gz FTAWWPBRRJJEIN-QWRGUYRKSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@H](N[C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820402754 606415064 /nfs/dbraw/zinc/41/50/64/606415064.db2.gz FTAWWPBRRJJEIN-QWRGUYRKSA-N -1 3 388.834 3.337 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820047405 606415107 /nfs/dbraw/zinc/41/51/07/606415107.db2.gz YPHIBCBOFXLYGI-XHDPSFHLSA-N -1 3 394.932 3.258 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820047405 606415109 /nfs/dbraw/zinc/41/51/09/606415109.db2.gz YPHIBCBOFXLYGI-XHDPSFHLSA-N -1 3 394.932 3.258 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820047403 606415576 /nfs/dbraw/zinc/41/55/76/606415576.db2.gz YPHIBCBOFXLYGI-IAQYHMDHSA-N -1 3 394.932 3.258 20 0 GGADHM CC(C)[C@H]1OCCC[C@@H]1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820047403 606415577 /nfs/dbraw/zinc/41/55/77/606415577.db2.gz YPHIBCBOFXLYGI-IAQYHMDHSA-N -1 3 394.932 3.258 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1(CC)CC ZINC000821360871 606416210 /nfs/dbraw/zinc/41/62/10/606416210.db2.gz STMXDCWADUXGKC-HZPDHXFCSA-N -1 3 388.541 3.479 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1(CC)CC ZINC000821360871 606416212 /nfs/dbraw/zinc/41/62/12/606416212.db2.gz STMXDCWADUXGKC-HZPDHXFCSA-N -1 3 388.541 3.479 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640712 606416515 /nfs/dbraw/zinc/41/65/15/606416515.db2.gz NJQLPQRETZXEPH-QFYYESIMSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640712 606416516 /nfs/dbraw/zinc/41/65/16/606416516.db2.gz NJQLPQRETZXEPH-QFYYESIMSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640710 606416778 /nfs/dbraw/zinc/41/67/78/606416778.db2.gz NJQLPQRETZXEPH-HWPZZCPQSA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640710 606416779 /nfs/dbraw/zinc/41/67/79/606416779.db2.gz NJQLPQRETZXEPH-HWPZZCPQSA-N -1 3 389.818 3.224 20 0 GGADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](O)c1c(F)cccc1F ZINC000820926318 606419498 /nfs/dbraw/zinc/41/94/98/606419498.db2.gz QVRASXGYSSOXQL-OCCSQVGLSA-N -1 3 380.786 3.117 20 0 GGADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](O)c1c(F)cccc1F ZINC000820926318 606419499 /nfs/dbraw/zinc/41/94/99/606419499.db2.gz QVRASXGYSSOXQL-OCCSQVGLSA-N -1 3 380.786 3.117 20 0 GGADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1noc(Cc2ccccc2)n1 ZINC000820462283 606430116 /nfs/dbraw/zinc/43/01/16/606430116.db2.gz WYCFNZDAWHKDNX-JTQLQIEISA-N -1 3 382.815 3.062 20 0 GGADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1noc(Cc2ccccc2)n1 ZINC000820462283 606430118 /nfs/dbraw/zinc/43/01/18/606430118.db2.gz WYCFNZDAWHKDNX-JTQLQIEISA-N -1 3 382.815 3.062 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCCCC2)no1 ZINC000820329767 606439190 /nfs/dbraw/zinc/43/91/90/606439190.db2.gz ZUGGQGUYVZXYIS-CYBMUJFWSA-N -1 3 395.467 3.107 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CCCCC2)no1 ZINC000820329767 606439192 /nfs/dbraw/zinc/43/91/92/606439192.db2.gz ZUGGQGUYVZXYIS-CYBMUJFWSA-N -1 3 395.467 3.107 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc(C2CCCCC2)no1 ZINC000820322723 606439660 /nfs/dbraw/zinc/43/96/60/606439660.db2.gz UULYFUYIUPVCPV-YLSINNKHSA-N -1 3 393.451 3.188 20 0 GGADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc(C2CCCCC2)no1 ZINC000820322723 606439661 /nfs/dbraw/zinc/43/96/61/606439661.db2.gz UULYFUYIUPVCPV-YLSINNKHSA-N -1 3 393.451 3.188 20 0 GGADHM Cc1ccc([C@H](CN2CCOCC2)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000822230795 606444267 /nfs/dbraw/zinc/44/42/67/606444267.db2.gz QMVHDVFUWARTQF-IBGZPJMESA-N -1 3 398.898 3.314 20 0 GGADHM Cc1ccc([C@H](CN2CCOCC2)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000822230795 606444269 /nfs/dbraw/zinc/44/42/69/606444269.db2.gz QMVHDVFUWARTQF-IBGZPJMESA-N -1 3 398.898 3.314 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000820519320 606447782 /nfs/dbraw/zinc/44/77/82/606447782.db2.gz RNDGCHUPHHNBIJ-AWEZNQCLSA-N -1 3 395.438 3.179 20 0 GGADHM CCC1(CNC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000820962040 606448573 /nfs/dbraw/zinc/44/85/73/606448573.db2.gz GFFLMJXPFGRARR-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM CCC1(CNC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000820962040 606448574 /nfs/dbraw/zinc/44/85/74/606448574.db2.gz GFFLMJXPFGRARR-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000820519105 606448865 /nfs/dbraw/zinc/44/88/65/606448865.db2.gz PIFBCGGMNHHXPP-CQSZACIVSA-N -1 3 395.438 3.179 20 0 GGADHM NC(=O)c1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)ccc1F ZINC000822879599 606448951 /nfs/dbraw/zinc/44/89/51/606448951.db2.gz FIRZIYXWJWBIFB-UHFFFAOYSA-N -1 3 388.406 3.384 20 0 GGADHM NC(=O)c1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)ccc1F ZINC000822879599 606448953 /nfs/dbraw/zinc/44/89/53/606448953.db2.gz FIRZIYXWJWBIFB-UHFFFAOYSA-N -1 3 388.406 3.384 20 0 GGADHM COC(=O)c1ccc(OC(C)C)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821669444 606451903 /nfs/dbraw/zinc/45/19/03/606451903.db2.gz MCFYRSOIWSLUQX-UHFFFAOYSA-N -1 3 385.399 3.192 20 0 GGADHM COC(=O)c1ccc(OC(C)C)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821669444 606451904 /nfs/dbraw/zinc/45/19/04/606451904.db2.gz MCFYRSOIWSLUQX-UHFFFAOYSA-N -1 3 385.399 3.192 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821941825 606460658 /nfs/dbraw/zinc/46/06/58/606460658.db2.gz JWNICZJCTAGUKV-RUZDIDTESA-N -1 3 379.848 3.150 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821941825 606460659 /nfs/dbraw/zinc/46/06/59/606460659.db2.gz JWNICZJCTAGUKV-RUZDIDTESA-N -1 3 379.848 3.150 20 0 GGADHM COc1ccc(Br)cc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821769731 606463217 /nfs/dbraw/zinc/46/32/17/606463217.db2.gz KFIRHDSYCCVHKU-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM COc1ccc(Br)cc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821769731 606463219 /nfs/dbraw/zinc/46/32/19/606463219.db2.gz KFIRHDSYCCVHKU-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM O=C(Nc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1)c1ccsc1 ZINC000823350443 606465167 /nfs/dbraw/zinc/46/51/67/606465167.db2.gz NFVRNFHXQDABQU-UHFFFAOYSA-N -1 3 397.441 3.461 20 0 GGADHM O=C(Nc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1)c1ccsc1 ZINC000823350443 606465168 /nfs/dbraw/zinc/46/51/68/606465168.db2.gz NFVRNFHXQDABQU-UHFFFAOYSA-N -1 3 397.441 3.461 20 0 GGADHM C[C@@H]1CN(Cc2cccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)c2)C[C@H](C)O1 ZINC000820759031 606466389 /nfs/dbraw/zinc/46/63/89/606466389.db2.gz GZIMBAHDJVTFGL-BETUJISGSA-N -1 3 399.886 3.268 20 0 GGADHM C[C@@H]1CN(Cc2cccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)c2)C[C@H](C)O1 ZINC000820759031 606466390 /nfs/dbraw/zinc/46/63/90/606466390.db2.gz GZIMBAHDJVTFGL-BETUJISGSA-N -1 3 399.886 3.268 20 0 GGADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2cc(Cl)ccc2n1C ZINC000820508833 606468430 /nfs/dbraw/zinc/46/84/30/606468430.db2.gz YOZIMOIJYZLVOU-QMMMGPOBSA-N -1 3 388.840 3.386 20 0 GGADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2cc(Cl)ccc2n1C ZINC000820508833 606468432 /nfs/dbraw/zinc/46/84/32/606468432.db2.gz YOZIMOIJYZLVOU-QMMMGPOBSA-N -1 3 388.840 3.386 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C1CCCC1)C(F)(F)F ZINC000820524805 606470289 /nfs/dbraw/zinc/47/02/89/606470289.db2.gz AASRBSHBYAMJGT-QMTHXVAHSA-N -1 3 384.358 3.298 20 0 GGADHM COc1cc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)cc(Cl)c1OC ZINC000821702949 606470576 /nfs/dbraw/zinc/47/05/76/606470576.db2.gz IMCBFZVHJCOCMC-UHFFFAOYSA-N -1 3 390.812 3.316 20 0 GGADHM COc1cc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)cc(Cl)c1OC ZINC000821702949 606470578 /nfs/dbraw/zinc/47/05/78/606470578.db2.gz IMCBFZVHJCOCMC-UHFFFAOYSA-N -1 3 390.812 3.316 20 0 GGADHM COC(=O)[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642146 606472828 /nfs/dbraw/zinc/47/28/28/606472828.db2.gz FAOGBEAUIZXDIH-TUKIKUTGSA-N -1 3 397.401 3.039 20 0 GGADHM COC(=O)[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642146 606472829 /nfs/dbraw/zinc/47/28/29/606472829.db2.gz FAOGBEAUIZXDIH-TUKIKUTGSA-N -1 3 397.401 3.039 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)[C@@H](C)CO2)c1 ZINC000822231826 606475624 /nfs/dbraw/zinc/47/56/24/606475624.db2.gz IQLDRTPHMVOWMW-GUYCJALGSA-N -1 3 384.871 3.498 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)[C@@H](C)CO2)c1 ZINC000822231826 606475626 /nfs/dbraw/zinc/47/56/26/606475626.db2.gz IQLDRTPHMVOWMW-GUYCJALGSA-N -1 3 384.871 3.498 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)[C@H](C)CO2)c1 ZINC000822231825 606475927 /nfs/dbraw/zinc/47/59/27/606475927.db2.gz IQLDRTPHMVOWMW-DYVFJYSZSA-N -1 3 384.871 3.498 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)[C@H](C)CO2)c1 ZINC000822231825 606475929 /nfs/dbraw/zinc/47/59/29/606475929.db2.gz IQLDRTPHMVOWMW-DYVFJYSZSA-N -1 3 384.871 3.498 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000821794259 606480458 /nfs/dbraw/zinc/48/04/58/606480458.db2.gz DVBZFJZDJMZTAH-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000821794259 606480460 /nfs/dbraw/zinc/48/04/60/606480460.db2.gz DVBZFJZDJMZTAH-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000822731429 606482817 /nfs/dbraw/zinc/48/28/17/606482817.db2.gz DAKIORYNGOJCJF-KRWDZBQOSA-N -1 3 387.390 3.042 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000822731429 606482818 /nfs/dbraw/zinc/48/28/18/606482818.db2.gz DAKIORYNGOJCJF-KRWDZBQOSA-N -1 3 387.390 3.042 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)s2)cs1 ZINC000822418709 606485938 /nfs/dbraw/zinc/48/59/38/606485938.db2.gz FFFOWTAHPGHZDM-UHFFFAOYSA-N -1 3 388.503 3.352 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)s2)cs1 ZINC000822418709 606485939 /nfs/dbraw/zinc/48/59/39/606485939.db2.gz FFFOWTAHPGHZDM-UHFFFAOYSA-N -1 3 388.503 3.352 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(C(F)(F)F)c1 ZINC000819818219 606486415 /nfs/dbraw/zinc/48/64/15/606486415.db2.gz SFRZBKAFESSIDV-UHFFFAOYSA-N -1 3 396.354 3.158 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(C(F)(F)F)c1 ZINC000819818219 606486417 /nfs/dbraw/zinc/48/64/17/606486417.db2.gz SFRZBKAFESSIDV-UHFFFAOYSA-N -1 3 396.354 3.158 20 0 GGADHM CCCCOC(=O)c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821072047 606486943 /nfs/dbraw/zinc/48/69/43/606486943.db2.gz QDGGGCIGCUIEAU-UHFFFAOYSA-N -1 3 379.420 3.005 20 0 GGADHM CCCCOC(=O)c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821072047 606486945 /nfs/dbraw/zinc/48/69/45/606486945.db2.gz QDGGGCIGCUIEAU-UHFFFAOYSA-N -1 3 379.420 3.005 20 0 GGADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821615857 606487188 /nfs/dbraw/zinc/48/71/88/606487188.db2.gz RJZSHAUKLAYCDB-UHFFFAOYSA-N -1 3 383.355 3.099 20 0 GGADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821615857 606487189 /nfs/dbraw/zinc/48/71/89/606487189.db2.gz RJZSHAUKLAYCDB-UHFFFAOYSA-N -1 3 383.355 3.099 20 0 GGADHM CC[C@@H](O)CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccccc1 ZINC000820933524 606487230 /nfs/dbraw/zinc/48/72/30/606487230.db2.gz WMFKJVBSGAXJMV-MRXNPFEDSA-N -1 3 389.406 3.246 20 0 GGADHM CC[C@@H](O)CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccccc1 ZINC000820933524 606487232 /nfs/dbraw/zinc/48/72/32/606487232.db2.gz WMFKJVBSGAXJMV-MRXNPFEDSA-N -1 3 389.406 3.246 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000823104381 606489660 /nfs/dbraw/zinc/48/96/60/606489660.db2.gz VVWRXTRTEFKMPX-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000823104381 606489662 /nfs/dbraw/zinc/48/96/62/606489662.db2.gz VVWRXTRTEFKMPX-UHFFFAOYSA-N -1 3 379.754 3.303 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000820333977 606493011 /nfs/dbraw/zinc/49/30/11/606493011.db2.gz HZVVDTRMMYNNCA-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820333977 606493013 /nfs/dbraw/zinc/49/30/13/606493013.db2.gz HZVVDTRMMYNNCA-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1OC(F)F ZINC000820919986 606493222 /nfs/dbraw/zinc/49/32/22/606493222.db2.gz IPEVENSAVPDXEQ-LLVKDONJSA-N -1 3 379.392 3.411 20 0 GGADHM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1OC(F)F ZINC000820919986 606493223 /nfs/dbraw/zinc/49/32/23/606493223.db2.gz IPEVENSAVPDXEQ-LLVKDONJSA-N -1 3 379.392 3.411 20 0 GGADHM CN(Cc1cc(Br)cs1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821607508 606494414 /nfs/dbraw/zinc/49/44/14/606494414.db2.gz RNBPZWNEWLOZHL-UHFFFAOYSA-N -1 3 384.284 3.024 20 0 GGADHM CN(Cc1cc(Br)cs1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821607508 606494415 /nfs/dbraw/zinc/49/44/15/606494415.db2.gz RNBPZWNEWLOZHL-UHFFFAOYSA-N -1 3 384.284 3.024 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000823104555 606496227 /nfs/dbraw/zinc/49/62/27/606496227.db2.gz ZGLXTTFRGBTLJL-UHFFFAOYSA-N -1 3 395.426 3.387 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000823104555 606496228 /nfs/dbraw/zinc/49/62/28/606496228.db2.gz ZGLXTTFRGBTLJL-UHFFFAOYSA-N -1 3 395.426 3.387 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000822418954 606496974 /nfs/dbraw/zinc/49/69/74/606496974.db2.gz KFRBXUZQHMUNSS-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000822418954 606496976 /nfs/dbraw/zinc/49/69/76/606496976.db2.gz KFRBXUZQHMUNSS-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823350153 606497757 /nfs/dbraw/zinc/49/77/57/606497757.db2.gz AWMNSOFQUYSGPG-UHFFFAOYSA-N -1 3 388.359 3.330 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823350153 606497759 /nfs/dbraw/zinc/49/77/59/606497759.db2.gz AWMNSOFQUYSGPG-UHFFFAOYSA-N -1 3 388.359 3.330 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000821674955 606498208 /nfs/dbraw/zinc/49/82/08/606498208.db2.gz ACMOKLNTLXSYID-MRVPVSSYSA-N -1 3 378.845 3.245 20 0 GGADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000821674955 606498210 /nfs/dbraw/zinc/49/82/10/606498210.db2.gz ACMOKLNTLXSYID-MRVPVSSYSA-N -1 3 378.845 3.245 20 0 GGADHM COc1cc(Cl)c(Cl)cc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821717289 606505606 /nfs/dbraw/zinc/50/56/06/606505606.db2.gz NCRRIFSJZYYJRA-UHFFFAOYSA-N -1 3 392.246 3.454 20 0 GGADHM COc1cc(Cl)c(Cl)cc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821717289 606505608 /nfs/dbraw/zinc/50/56/08/606505608.db2.gz NCRRIFSJZYYJRA-UHFFFAOYSA-N -1 3 392.246 3.454 20 0 GGADHM CCOc1ccc(Br)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821417387 606506143 /nfs/dbraw/zinc/50/61/43/606506143.db2.gz MQPZFSGSWAXWIS-UHFFFAOYSA-N -1 3 394.254 3.342 20 0 GGADHM CCOc1ccc(Br)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821417387 606506144 /nfs/dbraw/zinc/50/61/44/606506144.db2.gz MQPZFSGSWAXWIS-UHFFFAOYSA-N -1 3 394.254 3.342 20 0 GGADHM COc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OC1CCCC1 ZINC000821798835 606507600 /nfs/dbraw/zinc/50/76/00/606507600.db2.gz PGSJLMONFYULRN-UHFFFAOYSA-N -1 3 399.476 3.188 20 0 GGADHM COc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OC1CCCC1 ZINC000821798835 606507602 /nfs/dbraw/zinc/50/76/02/606507602.db2.gz PGSJLMONFYULRN-UHFFFAOYSA-N -1 3 399.476 3.188 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000820675520 606508179 /nfs/dbraw/zinc/50/81/79/606508179.db2.gz JYOMVUOTYJWOLQ-SCLBCKFNSA-N -1 3 377.448 3.317 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000820675520 606508181 /nfs/dbraw/zinc/50/81/81/606508181.db2.gz JYOMVUOTYJWOLQ-SCLBCKFNSA-N -1 3 377.448 3.317 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000820675519 606508234 /nfs/dbraw/zinc/50/82/34/606508234.db2.gz JYOMVUOTYJWOLQ-FZKQIMNGSA-N -1 3 377.448 3.317 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000820675519 606508237 /nfs/dbraw/zinc/50/82/37/606508237.db2.gz JYOMVUOTYJWOLQ-FZKQIMNGSA-N -1 3 377.448 3.317 20 0 GGADHM Cc1nc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)sc1-c1ccccc1 ZINC000822449704 606508859 /nfs/dbraw/zinc/50/88/59/606508859.db2.gz KYCMOZSPSKZMKP-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM Cc1nc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)sc1-c1ccccc1 ZINC000822449704 606508860 /nfs/dbraw/zinc/50/88/60/606508860.db2.gz KYCMOZSPSKZMKP-UHFFFAOYSA-N -1 3 376.445 3.480 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821690635 606509571 /nfs/dbraw/zinc/50/95/71/606509571.db2.gz SMMMLOXAVJFTJI-UHFFFAOYSA-N -1 3 395.847 3.010 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821690635 606509573 /nfs/dbraw/zinc/50/95/73/606509573.db2.gz SMMMLOXAVJFTJI-UHFFFAOYSA-N -1 3 395.847 3.010 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823249820 606509941 /nfs/dbraw/zinc/50/99/41/606509941.db2.gz LANYCKBJFCSAAE-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823249820 606509943 /nfs/dbraw/zinc/50/99/43/606509943.db2.gz LANYCKBJFCSAAE-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822242511 606511150 /nfs/dbraw/zinc/51/11/50/606511150.db2.gz NIKOQBXTQFKBQP-UHFFFAOYSA-N -1 3 384.465 3.474 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822242511 606511152 /nfs/dbraw/zinc/51/11/52/606511152.db2.gz NIKOQBXTQFKBQP-UHFFFAOYSA-N -1 3 384.465 3.474 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000821858970 606511193 /nfs/dbraw/zinc/51/11/93/606511193.db2.gz KACZOHBTMQJZFN-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM COc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000821858970 606511194 /nfs/dbraw/zinc/51/11/94/606511194.db2.gz KACZOHBTMQJZFN-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000823092768 606512200 /nfs/dbraw/zinc/51/22/00/606512200.db2.gz KHLUJWIJWVAZLT-UHFFFAOYSA-N -1 3 379.439 3.177 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000823092768 606512201 /nfs/dbraw/zinc/51/22/01/606512201.db2.gz KHLUJWIJWVAZLT-UHFFFAOYSA-N -1 3 379.439 3.177 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1OCC(F)(F)F ZINC000822208464 606514665 /nfs/dbraw/zinc/51/46/65/606514665.db2.gz SXRJSGIHOQULJJ-UHFFFAOYSA-N -1 3 383.355 3.430 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1OCC(F)(F)F ZINC000822208464 606514666 /nfs/dbraw/zinc/51/46/66/606514666.db2.gz SXRJSGIHOQULJJ-UHFFFAOYSA-N -1 3 383.355 3.430 20 0 GGADHM Cc1cccc2[nH]c(COC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)cc21 ZINC000822332458 606517240 /nfs/dbraw/zinc/51/72/40/606517240.db2.gz QASPRUZEMAZNTL-CYBMUJFWSA-N -1 3 377.404 3.167 20 0 GGADHM Cc1cccc2[nH]c(COC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)cc21 ZINC000822332458 606517242 /nfs/dbraw/zinc/51/72/42/606517242.db2.gz QASPRUZEMAZNTL-CYBMUJFWSA-N -1 3 377.404 3.167 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822233649 606521984 /nfs/dbraw/zinc/52/19/84/606521984.db2.gz SKLZSEDZWFSUHZ-YOEHRIQHSA-N -1 3 383.477 3.134 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822233649 606521985 /nfs/dbraw/zinc/52/19/85/606521985.db2.gz SKLZSEDZWFSUHZ-YOEHRIQHSA-N -1 3 383.477 3.134 20 0 GGADHM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823358877 606526746 /nfs/dbraw/zinc/52/67/46/606526746.db2.gz HDCKAWJHSLPWLB-UHFFFAOYSA-N -1 3 391.460 3.449 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823246524 606528092 /nfs/dbraw/zinc/52/80/92/606528092.db2.gz SSQLNZDCZJXSNY-GXTWGEPZSA-N -1 3 382.390 3.035 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823246524 606528094 /nfs/dbraw/zinc/52/80/94/606528094.db2.gz SSQLNZDCZJXSNY-GXTWGEPZSA-N -1 3 382.390 3.035 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823257287 606530337 /nfs/dbraw/zinc/53/03/37/606530337.db2.gz HGJYDMVSMAMSAA-OCCSQVGLSA-N -1 3 382.390 3.035 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823257287 606530338 /nfs/dbraw/zinc/53/03/38/606530338.db2.gz HGJYDMVSMAMSAA-OCCSQVGLSA-N -1 3 382.390 3.035 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823257288 606530457 /nfs/dbraw/zinc/53/04/57/606530457.db2.gz HGJYDMVSMAMSAA-TZMCWYRMSA-N -1 3 382.390 3.035 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823257288 606530458 /nfs/dbraw/zinc/53/04/58/606530458.db2.gz HGJYDMVSMAMSAA-TZMCWYRMSA-N -1 3 382.390 3.035 20 0 GGADHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4nnn[n-]4)s3)s2)c(C)c1 ZINC000822213832 606536098 /nfs/dbraw/zinc/53/60/98/606536098.db2.gz CKLFJDIOMOSSAG-UHFFFAOYSA-N -1 3 383.462 3.316 20 0 GGADHM CC[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)Oc1ccccc1Cl ZINC000820907142 606536739 /nfs/dbraw/zinc/53/67/39/606536739.db2.gz CFFACSXCDAGVLA-NSHDSACASA-N -1 3 377.857 3.169 20 0 GGADHM CC[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)Oc1ccccc1Cl ZINC000820907142 606536741 /nfs/dbraw/zinc/53/67/41/606536741.db2.gz CFFACSXCDAGVLA-NSHDSACASA-N -1 3 377.857 3.169 20 0 GGADHM COc1ccc(N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C2CC2)cc1 ZINC000821827507 606542861 /nfs/dbraw/zinc/54/28/61/606542861.db2.gz DHECLAXFIKCBKU-AWEZNQCLSA-N -1 3 377.448 3.250 20 0 GGADHM COc1ccc(N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C2CC2)cc1 ZINC000821827507 606542863 /nfs/dbraw/zinc/54/28/63/606542863.db2.gz DHECLAXFIKCBKU-AWEZNQCLSA-N -1 3 377.448 3.250 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1OCc1cscn1 ZINC000823108956 606543226 /nfs/dbraw/zinc/54/32/26/606543226.db2.gz UJHKURGMVRNDEW-UHFFFAOYSA-N -1 3 392.444 3.083 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1OCc1cscn1 ZINC000823108956 606543228 /nfs/dbraw/zinc/54/32/28/606543228.db2.gz UJHKURGMVRNDEW-UHFFFAOYSA-N -1 3 392.444 3.083 20 0 GGADHM CC(C)(C)c1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)n(C(C)(C)C)n1 ZINC000819958095 606546543 /nfs/dbraw/zinc/54/65/43/606546543.db2.gz HYCKKCJFPMOTLS-UHFFFAOYSA-N -1 3 381.484 3.297 20 0 GGADHM CC(C)(C)c1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC000819958095 606546545 /nfs/dbraw/zinc/54/65/45/606546545.db2.gz HYCKKCJFPMOTLS-UHFFFAOYSA-N -1 3 381.484 3.297 20 0 GGADHM C[C@@H](N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1(C)CC1 ZINC000820307309 606552574 /nfs/dbraw/zinc/55/25/74/606552574.db2.gz KQGFDNCIYZVCQK-CYBMUJFWSA-N -1 3 378.436 3.315 20 0 GGADHM C[C@@H](N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1(C)CC1 ZINC000820307309 606552576 /nfs/dbraw/zinc/55/25/76/606552576.db2.gz KQGFDNCIYZVCQK-CYBMUJFWSA-N -1 3 378.436 3.315 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822978412 606554316 /nfs/dbraw/zinc/55/43/16/606554316.db2.gz KDEFZWKWYALGLC-DZGCQCFKSA-N -1 3 381.402 3.284 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822978412 606554317 /nfs/dbraw/zinc/55/43/17/606554317.db2.gz KDEFZWKWYALGLC-DZGCQCFKSA-N -1 3 381.402 3.284 20 0 GGADHM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823357275 606559104 /nfs/dbraw/zinc/55/91/04/606559104.db2.gz SSQGILVBGYQIIH-UHFFFAOYSA-N -1 3 388.416 3.119 20 0 GGADHM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823357275 606559105 /nfs/dbraw/zinc/55/91/05/606559105.db2.gz SSQGILVBGYQIIH-UHFFFAOYSA-N -1 3 388.416 3.119 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCc1nc(C2CCCCC2)cs1 ZINC000823098842 606559350 /nfs/dbraw/zinc/55/93/50/606559350.db2.gz SOCPPHRWJYNWSJ-UHFFFAOYSA-N -1 3 396.520 3.272 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCc1nc(C2CCCCC2)cs1 ZINC000823098842 606559352 /nfs/dbraw/zinc/55/93/52/606559352.db2.gz SOCPPHRWJYNWSJ-UHFFFAOYSA-N -1 3 396.520 3.272 20 0 GGADHM Nc1ccc(Cl)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822907629 606559471 /nfs/dbraw/zinc/55/94/71/606559471.db2.gz WIAXDYRRRMSDJN-UHFFFAOYSA-N -1 3 395.753 3.061 20 0 GGADHM Nc1ccc(Cl)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822907629 606559472 /nfs/dbraw/zinc/55/94/72/606559472.db2.gz WIAXDYRRRMSDJN-UHFFFAOYSA-N -1 3 395.753 3.061 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000823421564 606559953 /nfs/dbraw/zinc/55/99/53/606559953.db2.gz CLPJVNPWMUPZRI-HNNXBMFYSA-N -1 3 386.358 3.241 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000823421564 606559955 /nfs/dbraw/zinc/55/99/55/606559955.db2.gz CLPJVNPWMUPZRI-HNNXBMFYSA-N -1 3 386.358 3.241 20 0 GGADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000819772690 606561336 /nfs/dbraw/zinc/56/13/36/606561336.db2.gz JGNDRUJXWAKUIR-OUKQBFOZSA-N -1 3 389.394 3.234 20 0 GGADHM CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820506949 606568236 /nfs/dbraw/zinc/56/82/36/606568236.db2.gz DXHULEHHKNXXGQ-LLVKDONJSA-N -1 3 385.449 3.236 20 0 GGADHM CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820506949 606568238 /nfs/dbraw/zinc/56/82/38/606568238.db2.gz DXHULEHHKNXXGQ-LLVKDONJSA-N -1 3 385.449 3.236 20 0 GGADHM CCC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC1 ZINC000820962798 606573164 /nfs/dbraw/zinc/57/31/64/606573164.db2.gz ZHWKZTLPCYNLBW-UHFFFAOYSA-N -1 3 379.424 3.366 20 0 GGADHM CCC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC1 ZINC000820962798 606573166 /nfs/dbraw/zinc/57/31/66/606573166.db2.gz ZHWKZTLPCYNLBW-UHFFFAOYSA-N -1 3 379.424 3.366 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)[C@H](C)CO2)c1 ZINC000822231926 606574690 /nfs/dbraw/zinc/57/46/90/606574690.db2.gz MXHSJYQPDGRARA-UZLBHIALSA-N -1 3 391.475 3.015 20 0 GGADHM Cc1ccc(C)c([C@@H]2CN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)[C@H](C)CO2)c1 ZINC000822231926 606574691 /nfs/dbraw/zinc/57/46/91/606574691.db2.gz MXHSJYQPDGRARA-UZLBHIALSA-N -1 3 391.475 3.015 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1c(F)cccc1OC(F)F ZINC000822220035 606575432 /nfs/dbraw/zinc/57/54/32/606575432.db2.gz AIUVMFBRNWQPPU-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1c(F)cccc1OC(F)F ZINC000822220035 606575434 /nfs/dbraw/zinc/57/54/34/606575434.db2.gz AIUVMFBRNWQPPU-UHFFFAOYSA-N -1 3 392.341 3.237 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000822217885 606575527 /nfs/dbraw/zinc/57/55/27/606575527.db2.gz QNPRDKZQBKBVMQ-GOSISDBHSA-N -1 3 392.463 3.041 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000822217885 606575529 /nfs/dbraw/zinc/57/55/29/606575529.db2.gz QNPRDKZQBKBVMQ-GOSISDBHSA-N -1 3 392.463 3.041 20 0 GGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823176093 606576963 /nfs/dbraw/zinc/57/69/63/606576963.db2.gz PWSACWNFKXXJEE-VHSXEESVSA-N -1 3 386.353 3.496 20 0 GGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823176093 606576965 /nfs/dbraw/zinc/57/69/65/606576965.db2.gz PWSACWNFKXXJEE-VHSXEESVSA-N -1 3 386.353 3.496 20 0 GGADHM COC[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821685147 606578462 /nfs/dbraw/zinc/57/84/62/606578462.db2.gz VMOKWIIYFJKMFL-INIZCTEOSA-N -1 3 394.435 3.302 20 0 GGADHM COC[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821685147 606578464 /nfs/dbraw/zinc/57/84/64/606578464.db2.gz VMOKWIIYFJKMFL-INIZCTEOSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@@H](NC(=O)c1c(F)cccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820385415 606578539 /nfs/dbraw/zinc/57/85/39/606578539.db2.gz ROQMEAZCJMDWJF-SECBINFHSA-N -1 3 390.216 3.259 20 0 GGADHM C[C@@H](NC(=O)c1c(F)cccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820385415 606578540 /nfs/dbraw/zinc/57/85/40/606578540.db2.gz ROQMEAZCJMDWJF-SECBINFHSA-N -1 3 390.216 3.259 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820380391 606578691 /nfs/dbraw/zinc/57/86/91/606578691.db2.gz RSNLKFLIBVHJCJ-PSVSLLHZSA-N -1 3 382.399 3.081 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820380391 606578692 /nfs/dbraw/zinc/57/86/92/606578692.db2.gz RSNLKFLIBVHJCJ-PSVSLLHZSA-N -1 3 382.399 3.081 20 0 GGADHM Cc1ccccc1CC1CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822356434 606588623 /nfs/dbraw/zinc/58/86/23/606588623.db2.gz SCFBPPSFYXIXMQ-OAHLLOKOSA-N -1 3 376.464 3.120 20 0 GGADHM Cc1ccccc1CC1CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822356434 606588625 /nfs/dbraw/zinc/58/86/25/606588625.db2.gz SCFBPPSFYXIXMQ-OAHLLOKOSA-N -1 3 376.464 3.120 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820697938 606592893 /nfs/dbraw/zinc/59/28/93/606592893.db2.gz OFYBPAPGTMBMSC-HZPDHXFCSA-N -1 3 382.512 3.168 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820697938 606592894 /nfs/dbraw/zinc/59/28/94/606592894.db2.gz OFYBPAPGTMBMSC-HZPDHXFCSA-N -1 3 382.512 3.168 20 0 GGADHM C[C@@H](O)CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000820473573 606594984 /nfs/dbraw/zinc/59/49/84/606594984.db2.gz GTYZDEFPFZTSHY-GFCCVEGCSA-N -1 3 390.390 3.361 20 0 GGADHM C[C@@H](O)CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000820473573 606594986 /nfs/dbraw/zinc/59/49/86/606594986.db2.gz GTYZDEFPFZTSHY-GFCCVEGCSA-N -1 3 390.390 3.361 20 0 GGADHM COc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1OC ZINC000821720198 606596384 /nfs/dbraw/zinc/59/63/84/606596384.db2.gz OWLBAIWSSSJKMZ-UHFFFAOYSA-N -1 3 395.341 3.237 20 0 GGADHM COc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1OC ZINC000821720198 606596385 /nfs/dbraw/zinc/59/63/85/606596385.db2.gz OWLBAIWSSSJKMZ-UHFFFAOYSA-N -1 3 395.341 3.237 20 0 GGADHM CC(C)(C)NC(=O)CCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819923294 606597983 /nfs/dbraw/zinc/59/79/83/606597983.db2.gz YQWKQTJXOICRKI-UHFFFAOYSA-N -1 3 385.440 3.006 20 0 GGADHM CC(C)(C)NC(=O)CCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819923294 606597985 /nfs/dbraw/zinc/59/79/85/606597985.db2.gz YQWKQTJXOICRKI-UHFFFAOYSA-N -1 3 385.440 3.006 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cc(Cl)ccc1F ZINC000821309282 606599953 /nfs/dbraw/zinc/59/99/53/606599953.db2.gz LTSLSBXJUXWIFD-UHFFFAOYSA-N -1 3 389.822 3.142 20 0 GGADHM C[C@@H](NC(=O)NC[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820364670 606601854 /nfs/dbraw/zinc/60/18/54/606601854.db2.gz DFGOIUHQNIIHPX-FZKQIMNGSA-N -1 3 394.504 3.258 20 0 GGADHM C[C@@H](NC(=O)NC[C@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820364670 606601855 /nfs/dbraw/zinc/60/18/55/606601855.db2.gz DFGOIUHQNIIHPX-FZKQIMNGSA-N -1 3 394.504 3.258 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1cccc(OC)c1 ZINC000821406894 606602168 /nfs/dbraw/zinc/60/21/68/606602168.db2.gz LNCDAUQZURWWET-ZDUSSCGKSA-N -1 3 381.436 3.406 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1cccc(OC)c1 ZINC000821406894 606602170 /nfs/dbraw/zinc/60/21/70/606602170.db2.gz LNCDAUQZURWWET-ZDUSSCGKSA-N -1 3 381.436 3.406 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)Cc1ccncc1 ZINC000820086791 606602981 /nfs/dbraw/zinc/60/29/81/606602981.db2.gz FORXYRIMCDOQRY-MRXNPFEDSA-N -1 3 393.495 3.061 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)Cc1ccncc1 ZINC000820086791 606602982 /nfs/dbraw/zinc/60/29/82/606602982.db2.gz FORXYRIMCDOQRY-MRXNPFEDSA-N -1 3 393.495 3.061 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000821612124 606604127 /nfs/dbraw/zinc/60/41/27/606604127.db2.gz JYBBCPLIQWYDAX-SFHVURJKSA-N -1 3 394.504 3.039 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000821612124 606604128 /nfs/dbraw/zinc/60/41/28/606604128.db2.gz JYBBCPLIQWYDAX-SFHVURJKSA-N -1 3 394.504 3.039 20 0 GGADHM CC[C@H](CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC000820907763 606607080 /nfs/dbraw/zinc/60/70/80/606607080.db2.gz GUWGIABHOAGZOW-QGZVFWFLSA-N -1 3 398.442 3.005 20 0 GGADHM CC[C@H](CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC000820907763 606607082 /nfs/dbraw/zinc/60/70/82/606607082.db2.gz GUWGIABHOAGZOW-QGZVFWFLSA-N -1 3 398.442 3.005 20 0 GGADHM CC[C@@H](CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC000820907762 606607144 /nfs/dbraw/zinc/60/71/44/606607144.db2.gz GUWGIABHOAGZOW-KRWDZBQOSA-N -1 3 398.442 3.005 20 0 GGADHM CC[C@@H](CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC000820907762 606607146 /nfs/dbraw/zinc/60/71/46/606607146.db2.gz GUWGIABHOAGZOW-KRWDZBQOSA-N -1 3 398.442 3.005 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823087099 606607157 /nfs/dbraw/zinc/60/71/57/606607157.db2.gz GLBSFQJCESDHII-HSZRJFAPSA-N -1 3 387.487 3.306 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823087099 606607158 /nfs/dbraw/zinc/60/71/58/606607158.db2.gz GLBSFQJCESDHII-HSZRJFAPSA-N -1 3 387.487 3.306 20 0 GGADHM COCCN(C(=O)C/C=C/c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688170 606622724 /nfs/dbraw/zinc/62/27/24/606622724.db2.gz AYEXPFIZNOGQJV-ONEGZZNKSA-N -1 3 377.448 3.258 20 0 GGADHM COCCN(C(=O)C/C=C/c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688170 606622725 /nfs/dbraw/zinc/62/27/25/606622725.db2.gz AYEXPFIZNOGQJV-ONEGZZNKSA-N -1 3 377.448 3.258 20 0 GGADHM CCCC[C@H](CCC)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821040768 606625507 /nfs/dbraw/zinc/62/55/07/606625507.db2.gz RDOBEYIQDHVDED-LBPRGKRZSA-N -1 3 392.891 3.181 20 0 GGADHM CCCC[C@H](CCC)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821040768 606625508 /nfs/dbraw/zinc/62/55/08/606625508.db2.gz RDOBEYIQDHVDED-LBPRGKRZSA-N -1 3 392.891 3.181 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820390855 606625662 /nfs/dbraw/zinc/62/56/62/606625662.db2.gz LXFDGKKQGKGNGH-SNVBAGLBSA-N -1 3 377.326 3.256 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820390855 606625663 /nfs/dbraw/zinc/62/56/63/606625663.db2.gz LXFDGKKQGKGNGH-SNVBAGLBSA-N -1 3 377.326 3.256 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000822627534 606625885 /nfs/dbraw/zinc/62/58/85/606625885.db2.gz OJUNAWWOIKOJPE-JYBLJSLWSA-N -1 3 376.464 3.303 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000822627534 606625886 /nfs/dbraw/zinc/62/58/86/606625886.db2.gz OJUNAWWOIKOJPE-JYBLJSLWSA-N -1 3 376.464 3.303 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000822627535 606626127 /nfs/dbraw/zinc/62/61/27/606626127.db2.gz OJUNAWWOIKOJPE-YUIUBULTSA-N -1 3 376.464 3.303 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000822627535 606626129 /nfs/dbraw/zinc/62/61/29/606626129.db2.gz OJUNAWWOIKOJPE-YUIUBULTSA-N -1 3 376.464 3.303 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1ncccc1C ZINC000822212027 606627194 /nfs/dbraw/zinc/62/71/94/606627194.db2.gz ZFJKJWZLDZIGNB-UHFFFAOYSA-N -1 3 387.403 3.318 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC000819866718 606627710 /nfs/dbraw/zinc/62/77/10/606627710.db2.gz PADFUHYPJZHZHC-CYBMUJFWSA-N -1 3 389.419 3.135 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000819866718 606627713 /nfs/dbraw/zinc/62/77/13/606627713.db2.gz PADFUHYPJZHZHC-CYBMUJFWSA-N -1 3 389.419 3.135 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cnn(C)c1 ZINC000819866479 606627838 /nfs/dbraw/zinc/62/78/38/606627838.db2.gz NKLQSERPLCFJLO-ZDUSSCGKSA-N -1 3 389.419 3.135 20 0 GGADHM CC1(C(=O)Nc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000820576956 606627931 /nfs/dbraw/zinc/62/79/31/606627931.db2.gz DSIYKCYMJFKMCO-UHFFFAOYSA-N -1 3 387.494 3.139 20 0 GGADHM CC1(C(=O)Nc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000820576956 606627933 /nfs/dbraw/zinc/62/79/33/606627933.db2.gz DSIYKCYMJFKMCO-UHFFFAOYSA-N -1 3 387.494 3.139 20 0 GGADHM Cc1[nH]c(=O)c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1-c1ccccc1 ZINC000822010101 606628243 /nfs/dbraw/zinc/62/82/43/606628243.db2.gz NKEDDZIUOCZFTR-UHFFFAOYSA-N -1 3 386.415 3.219 20 0 GGADHM Cc1[nH]c(=O)c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1-c1ccccc1 ZINC000822010101 606628245 /nfs/dbraw/zinc/62/82/45/606628245.db2.gz NKEDDZIUOCZFTR-UHFFFAOYSA-N -1 3 386.415 3.219 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@@H](c4ccco4)C3)c2c1 ZINC000822582513 606633566 /nfs/dbraw/zinc/63/35/66/606633566.db2.gz VOYGLBKDVAZAGU-MRXNPFEDSA-N -1 3 382.811 3.239 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@@H](c4ccco4)C3)c2c1 ZINC000822582513 606633567 /nfs/dbraw/zinc/63/35/67/606633567.db2.gz VOYGLBKDVAZAGU-MRXNPFEDSA-N -1 3 382.811 3.239 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@H](c4ccco4)C3)c2c1 ZINC000822582511 606633691 /nfs/dbraw/zinc/63/36/91/606633691.db2.gz VOYGLBKDVAZAGU-INIZCTEOSA-N -1 3 382.811 3.239 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@H](c4ccco4)C3)c2c1 ZINC000822582511 606633692 /nfs/dbraw/zinc/63/36/92/606633692.db2.gz VOYGLBKDVAZAGU-INIZCTEOSA-N -1 3 382.811 3.239 20 0 GGADHM COC(C)(C)c1noc(-c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000821674160 606637941 /nfs/dbraw/zinc/63/79/41/606637941.db2.gz VXKWLWVMESJFLJ-UHFFFAOYSA-N -1 3 392.419 3.377 20 0 GGADHM COC(C)(C)c1noc(-c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000821674160 606637942 /nfs/dbraw/zinc/63/79/42/606637942.db2.gz VXKWLWVMESJFLJ-UHFFFAOYSA-N -1 3 392.419 3.377 20 0 GGADHM Cc1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cnc1Cl ZINC000822207190 606640285 /nfs/dbraw/zinc/64/02/85/606640285.db2.gz NRBXAQSGELDPQC-OAHLLOKOSA-N -1 3 386.843 3.266 20 0 GGADHM Cc1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cnc1Cl ZINC000822207190 606640286 /nfs/dbraw/zinc/64/02/86/606640286.db2.gz NRBXAQSGELDPQC-OAHLLOKOSA-N -1 3 386.843 3.266 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC(Cc2ccccc2Cl)C1 ZINC000823061152 606641773 /nfs/dbraw/zinc/64/17/73/606641773.db2.gz XZYUSRIYJIFYEB-UHFFFAOYSA-N -1 3 399.907 3.313 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC(Cc2ccccc2Cl)C1 ZINC000823061152 606641774 /nfs/dbraw/zinc/64/17/74/606641774.db2.gz XZYUSRIYJIFYEB-UHFFFAOYSA-N -1 3 399.907 3.313 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000822217438 606642156 /nfs/dbraw/zinc/64/21/56/606642156.db2.gz DTUYNEIGGXLZKH-LJQANCHMSA-N -1 3 392.463 3.079 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000822217438 606642157 /nfs/dbraw/zinc/64/21/57/606642157.db2.gz DTUYNEIGGXLZKH-LJQANCHMSA-N -1 3 392.463 3.079 20 0 GGADHM Cc1sc(CCNc2nnc(C)c(C)c2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000822515504 606644289 /nfs/dbraw/zinc/64/42/89/606644289.db2.gz NITLTLATXHCYSM-UHFFFAOYSA-N -1 3 392.492 3.360 20 0 GGADHM Cc1sc(CCNc2nnc(C)c(C)c2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000822515504 606644290 /nfs/dbraw/zinc/64/42/90/606644290.db2.gz NITLTLATXHCYSM-UHFFFAOYSA-N -1 3 392.492 3.360 20 0 GGADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(Cl)c2)no1 ZINC000822444245 606656705 /nfs/dbraw/zinc/65/67/05/606656705.db2.gz IMMGGIBGBQZALO-UHFFFAOYSA-N -1 3 397.826 3.403 20 0 GGADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(Cl)c2)no1 ZINC000822444245 606656706 /nfs/dbraw/zinc/65/67/06/606656706.db2.gz IMMGGIBGBQZALO-UHFFFAOYSA-N -1 3 397.826 3.403 20 0 GGADHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822477094 606657604 /nfs/dbraw/zinc/65/76/04/606657604.db2.gz GCXDQCZNVBLYEJ-SAAWKEMMSA-N -1 3 399.458 3.251 20 0 GGADHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000822477094 606657605 /nfs/dbraw/zinc/65/76/05/606657605.db2.gz GCXDQCZNVBLYEJ-SAAWKEMMSA-N -1 3 399.458 3.251 20 0 GGADHM O=Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)cs1 ZINC000823551449 606660137 /nfs/dbraw/zinc/66/01/37/606660137.db2.gz RBRPSGNMJSRXGL-UHFFFAOYSA-N -1 3 392.400 3.180 20 0 GGADHM O=Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)cs1 ZINC000823551449 606660138 /nfs/dbraw/zinc/66/01/38/606660138.db2.gz RBRPSGNMJSRXGL-UHFFFAOYSA-N -1 3 392.400 3.180 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2cccc(F)c2)o1 ZINC000820156029 606660348 /nfs/dbraw/zinc/66/03/48/606660348.db2.gz ZVTXEBWVXULJTE-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(F)c2)o1 ZINC000820156029 606660349 /nfs/dbraw/zinc/66/03/49/606660349.db2.gz ZVTXEBWVXULJTE-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CCCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(C)(C)C ZINC000821082339 606660538 /nfs/dbraw/zinc/66/05/38/606660538.db2.gz IYQXXEUOGULTRA-UHFFFAOYSA-N -1 3 376.530 3.316 20 0 GGADHM CCCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(C)(C)C ZINC000821082339 606660539 /nfs/dbraw/zinc/66/05/39/606660539.db2.gz IYQXXEUOGULTRA-UHFFFAOYSA-N -1 3 376.530 3.316 20 0 GGADHM COc1ccc2nc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)sc2c1 ZINC000821854169 606663005 /nfs/dbraw/zinc/66/30/05/606663005.db2.gz HCISJTQRVXEGCM-UHFFFAOYSA-N -1 3 388.359 3.016 20 0 GGADHM COc1ccc2nc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)sc2c1 ZINC000821854169 606663006 /nfs/dbraw/zinc/66/30/06/606663006.db2.gz HCISJTQRVXEGCM-UHFFFAOYSA-N -1 3 388.359 3.016 20 0 GGADHM O=C(Oc1ccc(Br)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823449790 606663352 /nfs/dbraw/zinc/66/33/52/606663352.db2.gz CRPPMIMEAUJXFJ-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM O=C(Oc1ccc(Br)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823449790 606663353 /nfs/dbraw/zinc/66/33/53/606663353.db2.gz CRPPMIMEAUJXFJ-UHFFFAOYSA-N -1 3 381.136 3.127 20 0 GGADHM O=C(Oc1ccc(F)cc1Br)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823453830 606665947 /nfs/dbraw/zinc/66/59/47/606665947.db2.gz AZSSZJPUBOOGAS-UHFFFAOYSA-N -1 3 399.126 3.266 20 0 GGADHM O=C(Oc1ccc(F)cc1Br)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823453830 606665948 /nfs/dbraw/zinc/66/59/48/606665948.db2.gz AZSSZJPUBOOGAS-UHFFFAOYSA-N -1 3 399.126 3.266 20 0 GGADHM O=C(Oc1ccc(Br)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823450267 606665965 /nfs/dbraw/zinc/66/59/65/606665965.db2.gz MLJOHOCASAWMGY-UHFFFAOYSA-N -1 3 399.126 3.266 20 0 GGADHM O=C(Oc1ccc(Br)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823450267 606665966 /nfs/dbraw/zinc/66/59/66/606665966.db2.gz MLJOHOCASAWMGY-UHFFFAOYSA-N -1 3 399.126 3.266 20 0 GGADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000820025656 606666590 /nfs/dbraw/zinc/66/65/90/606666590.db2.gz AWVWGEDOINXFJC-MRXNPFEDSA-N -1 3 375.354 3.411 20 0 GGADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000820025656 606666591 /nfs/dbraw/zinc/66/65/91/606666591.db2.gz AWVWGEDOINXFJC-MRXNPFEDSA-N -1 3 375.354 3.411 20 0 GGADHM O=C(Nc1ncc(Cc2ccccc2)s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823382953 606666602 /nfs/dbraw/zinc/66/66/02/606666602.db2.gz HSBNEDKKAXHYKI-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1ncc(Cc2ccccc2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823382953 606666603 /nfs/dbraw/zinc/66/66/03/606666603.db2.gz HSBNEDKKAXHYKI-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(OC)c(OC)cc1C ZINC000821104510 606667627 /nfs/dbraw/zinc/66/76/27/606667627.db2.gz GWGLSQZXJZISMC-UHFFFAOYSA-N -1 3 395.463 3.245 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(OC)c(OC)cc1C ZINC000821104510 606667628 /nfs/dbraw/zinc/66/76/28/606667628.db2.gz GWGLSQZXJZISMC-UHFFFAOYSA-N -1 3 395.463 3.245 20 0 GGADHM CCCN(Cc1ccc(F)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821109949 606667780 /nfs/dbraw/zinc/66/77/80/606667780.db2.gz UAEKBEJNXXOOFW-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM CCCN(Cc1ccc(F)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821109949 606667781 /nfs/dbraw/zinc/66/77/81/606667781.db2.gz UAEKBEJNXXOOFW-UHFFFAOYSA-N -1 3 375.354 3.336 20 0 GGADHM Cc1nccc(-c2cccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000822471877 606669789 /nfs/dbraw/zinc/66/97/89/606669789.db2.gz LUWPVOFSDBSAGX-UHFFFAOYSA-N -1 3 393.357 3.163 20 0 GGADHM Cc1nccc(-c2cccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000822471877 606669790 /nfs/dbraw/zinc/66/97/90/606669790.db2.gz LUWPVOFSDBSAGX-UHFFFAOYSA-N -1 3 393.357 3.163 20 0 GGADHM O=C(C[C@@H]1CCCCO1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822941048 606669915 /nfs/dbraw/zinc/66/99/15/606669915.db2.gz OEHGEIWPMIWSLC-IBGZPJMESA-N -1 3 393.447 3.343 20 0 GGADHM O=C(C[C@@H]1CCCCO1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822941048 606669916 /nfs/dbraw/zinc/66/99/16/606669916.db2.gz OEHGEIWPMIWSLC-IBGZPJMESA-N -1 3 393.447 3.343 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCSc1ccccn1 ZINC000820117078 606670104 /nfs/dbraw/zinc/67/01/04/606670104.db2.gz UALWWXNTDOVNPY-UHFFFAOYSA-N -1 3 382.493 3.181 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCSc1ccccn1 ZINC000820117078 606670105 /nfs/dbraw/zinc/67/01/05/606670105.db2.gz UALWWXNTDOVNPY-UHFFFAOYSA-N -1 3 382.493 3.181 20 0 GGADHM Cc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n(-c2ccccc2F)n1 ZINC000822208509 606672093 /nfs/dbraw/zinc/67/20/93/606672093.db2.gz VUHHJINQGGPFOY-UHFFFAOYSA-N -1 3 399.336 3.030 20 0 GGADHM Cc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n(-c2ccccc2F)n1 ZINC000822208509 606672094 /nfs/dbraw/zinc/67/20/94/606672094.db2.gz VUHHJINQGGPFOY-UHFFFAOYSA-N -1 3 399.336 3.030 20 0 GGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCc2c(F)cc(F)cc21 ZINC000823454759 606672616 /nfs/dbraw/zinc/67/26/16/606672616.db2.gz SVOQGYZHZCTBKU-UHFFFAOYSA-N -1 3 377.301 3.016 20 0 GGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCc2c(F)cc(F)cc21 ZINC000823454759 606672617 /nfs/dbraw/zinc/67/26/17/606672617.db2.gz SVOQGYZHZCTBKU-UHFFFAOYSA-N -1 3 377.301 3.016 20 0 GGADHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823175157 606674147 /nfs/dbraw/zinc/67/41/47/606674147.db2.gz BCEXKJFIKKHUGE-FZKQIMNGSA-N -1 3 399.401 3.043 20 0 GGADHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823175157 606674148 /nfs/dbraw/zinc/67/41/48/606674148.db2.gz BCEXKJFIKKHUGE-FZKQIMNGSA-N -1 3 399.401 3.043 20 0 GGADHM CN(C(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000821571068 606676839 /nfs/dbraw/zinc/67/68/39/606676839.db2.gz YLJKPNKUAHDDEO-UHFFFAOYSA-N -1 3 378.411 3.093 20 0 GGADHM CN(C(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000821571068 606676840 /nfs/dbraw/zinc/67/68/40/606676840.db2.gz YLJKPNKUAHDDEO-UHFFFAOYSA-N -1 3 378.411 3.093 20 0 GGADHM O=C(Nc1c(F)cccc1N1CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823289671 606677121 /nfs/dbraw/zinc/67/71/21/606677121.db2.gz MHXLHRIIGRZLEB-UHFFFAOYSA-N -1 3 388.353 3.137 20 0 GGADHM O=C(Nc1c(F)cccc1N1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823289671 606677122 /nfs/dbraw/zinc/67/71/22/606677122.db2.gz MHXLHRIIGRZLEB-UHFFFAOYSA-N -1 3 388.353 3.137 20 0 GGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823170784 606677337 /nfs/dbraw/zinc/67/73/37/606677337.db2.gz IEGYYILQQKHYDW-UHFFFAOYSA-N -1 3 389.793 3.260 20 0 GGADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823170784 606677338 /nfs/dbraw/zinc/67/73/38/606677338.db2.gz IEGYYILQQKHYDW-UHFFFAOYSA-N -1 3 389.793 3.260 20 0 GGADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)COC1 ZINC000820945830 606683413 /nfs/dbraw/zinc/68/34/13/606683413.db2.gz XIPGTPCIPAWJNC-UHFFFAOYSA-N -1 3 383.383 3.163 20 0 GGADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)COC1 ZINC000820945830 606683414 /nfs/dbraw/zinc/68/34/14/606683414.db2.gz XIPGTPCIPAWJNC-UHFFFAOYSA-N -1 3 383.383 3.163 20 0 GGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000820384661 606684814 /nfs/dbraw/zinc/68/48/14/606684814.db2.gz KEEYYJKEFGRBBU-SSDOTTSWSA-N -1 3 381.745 3.428 20 0 GGADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000820384661 606684815 /nfs/dbraw/zinc/68/48/15/606684815.db2.gz KEEYYJKEFGRBBU-SSDOTTSWSA-N -1 3 381.745 3.428 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000820384662 606684823 /nfs/dbraw/zinc/68/48/23/606684823.db2.gz KEEYYJKEFGRBBU-ZETCQYMHSA-N -1 3 381.745 3.428 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000820384662 606684824 /nfs/dbraw/zinc/68/48/24/606684824.db2.gz KEEYYJKEFGRBBU-ZETCQYMHSA-N -1 3 381.745 3.428 20 0 GGADHM CC[C@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)Oc1cccc(C)c1 ZINC000820907823 606685818 /nfs/dbraw/zinc/68/58/18/606685818.db2.gz HMZYSPMMSNBLTD-CYBMUJFWSA-N -1 3 387.390 3.041 20 0 GGADHM CC[C@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Oc1cccc(C)c1 ZINC000820907823 606685819 /nfs/dbraw/zinc/68/58/19/606685819.db2.gz HMZYSPMMSNBLTD-CYBMUJFWSA-N -1 3 387.390 3.041 20 0 GGADHM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820488404 606686260 /nfs/dbraw/zinc/68/62/60/606686260.db2.gz NRQQDZWCPLXGCN-XIKOKIGWSA-N -1 3 399.401 3.418 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ncc(-c2ccccc2)o1 ZINC000820386506 606686345 /nfs/dbraw/zinc/68/63/45/606686345.db2.gz ZVJQENVVCFZWBG-JTQLQIEISA-N -1 3 396.357 3.291 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ncc(-c2ccccc2)o1 ZINC000820386506 606686346 /nfs/dbraw/zinc/68/63/46/606686346.db2.gz ZVJQENVVCFZWBG-JTQLQIEISA-N -1 3 396.357 3.291 20 0 GGADHM C[C@@]1(CNC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000820618843 606688184 /nfs/dbraw/zinc/68/81/84/606688184.db2.gz QFKLXRTWZOOOQF-FQEVSTJZSA-N -1 3 395.488 3.317 20 0 GGADHM C[C@@]1(CNC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000820618843 606688185 /nfs/dbraw/zinc/68/81/85/606688185.db2.gz QFKLXRTWZOOOQF-FQEVSTJZSA-N -1 3 395.488 3.317 20 0 GGADHM CSCc1cc(F)ccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821969619 606688513 /nfs/dbraw/zinc/68/85/13/606688513.db2.gz BMYUHXBIXRWLTI-CLFYSBASSA-N -1 3 383.452 3.198 20 0 GGADHM CSCc1cc(F)ccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821969619 606688514 /nfs/dbraw/zinc/68/85/14/606688514.db2.gz BMYUHXBIXRWLTI-CLFYSBASSA-N -1 3 383.452 3.198 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820989563 606689724 /nfs/dbraw/zinc/68/97/24/606689724.db2.gz WGGRGQKPAJZBHC-OAHLLOKOSA-N -1 3 377.448 3.318 20 0 GGADHM CC[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820989563 606689725 /nfs/dbraw/zinc/68/97/25/606689725.db2.gz WGGRGQKPAJZBHC-OAHLLOKOSA-N -1 3 377.448 3.318 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823066042 606690476 /nfs/dbraw/zinc/69/04/76/606690476.db2.gz JRBCSEPJNAGTIC-OAHLLOKOSA-N -1 3 383.452 3.114 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823066042 606690477 /nfs/dbraw/zinc/69/04/77/606690477.db2.gz JRBCSEPJNAGTIC-OAHLLOKOSA-N -1 3 383.452 3.114 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823060707 606690692 /nfs/dbraw/zinc/69/06/92/606690692.db2.gz IIEKBKQDHINKTN-KRWDZBQOSA-N -1 3 397.479 3.255 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823060707 606690693 /nfs/dbraw/zinc/69/06/93/606690693.db2.gz IIEKBKQDHINKTN-KRWDZBQOSA-N -1 3 397.479 3.255 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820320976 606691859 /nfs/dbraw/zinc/69/18/59/606691859.db2.gz AKXHZPRZXQTIOC-LPQFERQCSA-N -1 3 388.475 3.358 20 0 GGADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820320976 606691860 /nfs/dbraw/zinc/69/18/60/606691860.db2.gz AKXHZPRZXQTIOC-LPQFERQCSA-N -1 3 388.475 3.358 20 0 GGADHM COc1ccc(F)c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821828296 606692124 /nfs/dbraw/zinc/69/21/24/606692124.db2.gz RVSIJPUSEGTVJG-UHFFFAOYSA-N -1 3 385.399 3.202 20 0 GGADHM COc1ccc(F)c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821828296 606692125 /nfs/dbraw/zinc/69/21/25/606692125.db2.gz RVSIJPUSEGTVJG-UHFFFAOYSA-N -1 3 385.399 3.202 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823043747 606693709 /nfs/dbraw/zinc/69/37/09/606693709.db2.gz ICQQLTZEINSKLR-HXUWFJFHSA-N -1 3 395.438 3.432 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823043747 606693710 /nfs/dbraw/zinc/69/37/10/606693710.db2.gz ICQQLTZEINSKLR-HXUWFJFHSA-N -1 3 395.438 3.432 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCCC2)c1 ZINC000820379401 606695527 /nfs/dbraw/zinc/69/55/27/606695527.db2.gz CHANVVLEXFBCEU-CQSZACIVSA-N -1 3 377.452 3.350 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCCC2)c1 ZINC000820379401 606695528 /nfs/dbraw/zinc/69/55/28/606695528.db2.gz CHANVVLEXFBCEU-CQSZACIVSA-N -1 3 377.452 3.350 20 0 GGADHM CO[C@@H](C)c1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000821674254 606702440 /nfs/dbraw/zinc/70/24/40/606702440.db2.gz YNKJDMZDUOHDRA-LBPRGKRZSA-N -1 3 377.408 3.236 20 0 GGADHM CO[C@@H](C)c1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000821674254 606702442 /nfs/dbraw/zinc/70/24/42/606702442.db2.gz YNKJDMZDUOHDRA-LBPRGKRZSA-N -1 3 377.408 3.236 20 0 GGADHM c1ccc(OCC2CC2)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823791279 606706424 /nfs/dbraw/zinc/70/64/24/606706424.db2.gz AJZIJPLOVAAZOB-UHFFFAOYSA-N -1 3 389.419 3.318 20 0 GGADHM c1ccc(OCC2CC2)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000823791279 606706425 /nfs/dbraw/zinc/70/64/25/606706425.db2.gz AJZIJPLOVAAZOB-UHFFFAOYSA-N -1 3 389.419 3.318 20 0 GGADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCN1c1c(F)cccc1F ZINC000823512723 606706855 /nfs/dbraw/zinc/70/68/55/606706855.db2.gz RBGFJKSMUWMTKA-CQSZACIVSA-N -1 3 391.378 3.182 20 0 GGADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCN1c1c(F)cccc1F ZINC000823512723 606706857 /nfs/dbraw/zinc/70/68/57/606706857.db2.gz RBGFJKSMUWMTKA-CQSZACIVSA-N -1 3 391.378 3.182 20 0 GGADHM O=S(=O)(Nc1cc(-c2nnn[n-]2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000823583564 606713094 /nfs/dbraw/zinc/71/30/94/606713094.db2.gz UNOALNNKSLNLAW-UHFFFAOYSA-N -1 3 389.868 3.200 20 0 GGADHM O=S(=O)(Nc1cc(-c2nn[n-]n2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000823583564 606713096 /nfs/dbraw/zinc/71/30/96/606713096.db2.gz UNOALNNKSLNLAW-UHFFFAOYSA-N -1 3 389.868 3.200 20 0 GGADHM COCCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCC1 ZINC000821686891 606721234 /nfs/dbraw/zinc/72/12/34/606721234.db2.gz DKZOYAMNYRVUKC-UHFFFAOYSA-N -1 3 390.850 3.248 20 0 GGADHM COCCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCC1 ZINC000821686891 606721235 /nfs/dbraw/zinc/72/12/35/606721235.db2.gz DKZOYAMNYRVUKC-UHFFFAOYSA-N -1 3 390.850 3.248 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000819946811 606722754 /nfs/dbraw/zinc/72/27/54/606722754.db2.gz RRICNTSQSOSGAQ-UHFFFAOYSA-N -1 3 399.430 3.038 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000819928490 606724301 /nfs/dbraw/zinc/72/43/01/606724301.db2.gz RDIHBKWKGKTZJL-CQSZACIVSA-N -1 3 394.479 3.363 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000819928490 606724303 /nfs/dbraw/zinc/72/43/03/606724303.db2.gz RDIHBKWKGKTZJL-CQSZACIVSA-N -1 3 394.479 3.363 20 0 GGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)c(OC[C@H]2CCOC2)c1 ZINC000822238583 606726584 /nfs/dbraw/zinc/72/65/84/606726584.db2.gz MXLHTOBPYKGOLS-AWEZNQCLSA-N -1 3 383.427 3.342 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000819945946 606728781 /nfs/dbraw/zinc/72/87/81/606728781.db2.gz IDFCTULNIPFHNA-UHFFFAOYSA-N -1 3 381.440 3.263 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(CCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000819945946 606728784 /nfs/dbraw/zinc/72/87/84/606728784.db2.gz IDFCTULNIPFHNA-UHFFFAOYSA-N -1 3 381.440 3.263 20 0 GGADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1)c1cc2ccccc2o1 ZINC000823151030 606732032 /nfs/dbraw/zinc/73/20/32/606732032.db2.gz VXYCCXKHVDKMEX-INIZCTEOSA-N -1 3 388.431 3.012 20 0 GGADHM Cc1cc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)c(Cl)cc1F ZINC000822211471 606736727 /nfs/dbraw/zinc/73/67/27/606736727.db2.gz AEOBXASOXFTHPD-UHFFFAOYSA-N -1 3 382.804 3.044 20 0 GGADHM Cc1cc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)c(Cl)cc1F ZINC000822211471 606736728 /nfs/dbraw/zinc/73/67/28/606736728.db2.gz AEOBXASOXFTHPD-UHFFFAOYSA-N -1 3 382.804 3.044 20 0 GGADHM CC(C)c1cccc(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820192584 606737558 /nfs/dbraw/zinc/73/75/58/606737558.db2.gz VDZDLWTYOZRMTJ-IBGZPJMESA-N -1 3 392.463 3.097 20 0 GGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000820583266 606745069 /nfs/dbraw/zinc/74/50/69/606745069.db2.gz BSANNGVQIXLGFV-WFTPILKQSA-N -1 3 375.432 3.299 20 0 GGADHM CC1(C)C[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820583266 606745072 /nfs/dbraw/zinc/74/50/72/606745072.db2.gz BSANNGVQIXLGFV-WFTPILKQSA-N -1 3 375.432 3.299 20 0 GGADHM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000443022699 606746001 /nfs/dbraw/zinc/74/60/01/606746001.db2.gz QMOZDLTXBKNCOF-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000443022699 606746003 /nfs/dbraw/zinc/74/60/03/606746003.db2.gz QMOZDLTXBKNCOF-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1sccc1-c1nnn[n-]1 ZINC000823139918 606748385 /nfs/dbraw/zinc/74/83/85/606748385.db2.gz NUZCDKYUFATAPM-HNNXBMFYSA-N -1 3 396.863 3.496 20 0 GGADHM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1sccc1-c1nn[n-]n1 ZINC000823139918 606748386 /nfs/dbraw/zinc/74/83/86/606748386.db2.gz NUZCDKYUFATAPM-HNNXBMFYSA-N -1 3 396.863 3.496 20 0 GGADHM CC[C@H](C)c1ccc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000820882402 606753832 /nfs/dbraw/zinc/75/38/32/606753832.db2.gz QPVZPJSABROQON-NSHDSACASA-N -1 3 385.449 3.237 20 0 GGADHM CC[C@H](C)c1ccc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000820882402 606753833 /nfs/dbraw/zinc/75/38/33/606753833.db2.gz QPVZPJSABROQON-NSHDSACASA-N -1 3 385.449 3.237 20 0 GGADHM COC(=O)[C@@H](OC(=O)C1(CC(C)C)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646979 606755368 /nfs/dbraw/zinc/75/53/68/606755368.db2.gz RJTBRHHIRVVUMF-INIZCTEOSA-N -1 3 386.452 3.231 20 0 GGADHM COC(=O)[C@@H](OC(=O)C1(CC(C)C)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646979 606755370 /nfs/dbraw/zinc/75/53/70/606755370.db2.gz RJTBRHHIRVVUMF-INIZCTEOSA-N -1 3 386.452 3.231 20 0 GGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1I ZINC000822254214 606755559 /nfs/dbraw/zinc/75/55/59/606755559.db2.gz DNZGJMJNOZVUQE-UHFFFAOYSA-N -1 3 391.216 3.392 20 0 GGADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1I ZINC000822254214 606755560 /nfs/dbraw/zinc/75/55/60/606755560.db2.gz DNZGJMJNOZVUQE-UHFFFAOYSA-N -1 3 391.216 3.392 20 0 GGADHM CC(C)[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)c1ccccc1 ZINC000820028423 606758142 /nfs/dbraw/zinc/75/81/42/606758142.db2.gz YZCHUBFZNKSOQY-KRWDZBQOSA-N -1 3 386.358 3.209 20 0 GGADHM CC(C)[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)c1ccccc1 ZINC000820028423 606758143 /nfs/dbraw/zinc/75/81/43/606758143.db2.gz YZCHUBFZNKSOQY-KRWDZBQOSA-N -1 3 386.358 3.209 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1ccc2sccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648211 606762677 /nfs/dbraw/zinc/76/26/77/606762677.db2.gz DSEJGCAHWNHUKI-INIZCTEOSA-N -1 3 394.412 3.153 20 0 GGADHM COC(=O)[C@@H](OC(=O)c1ccc2sccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648211 606762678 /nfs/dbraw/zinc/76/26/78/606762678.db2.gz DSEJGCAHWNHUKI-INIZCTEOSA-N -1 3 394.412 3.153 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(OCC(F)(F)F)nc1 ZINC000821394130 606768892 /nfs/dbraw/zinc/76/88/92/606768892.db2.gz HJQWSVYCOGCNQX-UHFFFAOYSA-N -1 3 395.341 3.181 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(OCC(F)(F)F)nc1 ZINC000821394130 606768893 /nfs/dbraw/zinc/76/88/93/606768893.db2.gz HJQWSVYCOGCNQX-UHFFFAOYSA-N -1 3 395.341 3.181 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822437166 606772113 /nfs/dbraw/zinc/77/21/13/606772113.db2.gz XFUFHPWTDWBGEW-UHFFFAOYSA-N -1 3 385.497 3.494 20 0 GGADHM Cc1nc(CC(C)C)c(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822437166 606772114 /nfs/dbraw/zinc/77/21/14/606772114.db2.gz XFUFHPWTDWBGEW-UHFFFAOYSA-N -1 3 385.497 3.494 20 0 GGADHM O=C(CN1CCC(=Cc2ccccc2F)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822992283 606772895 /nfs/dbraw/zinc/77/28/95/606772895.db2.gz LGJBGVGZODFMEC-UHFFFAOYSA-N -1 3 392.438 3.124 20 0 GGADHM O=C(CN1CCC(=Cc2ccccc2F)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822992283 606772896 /nfs/dbraw/zinc/77/28/96/606772896.db2.gz LGJBGVGZODFMEC-UHFFFAOYSA-N -1 3 392.438 3.124 20 0 GGADHM COC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000821669379 606776299 /nfs/dbraw/zinc/77/62/99/606776299.db2.gz JAYIMSZGTMYVNA-UHFFFAOYSA-N -1 3 393.325 3.006 20 0 GGADHM COC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000821669379 606776300 /nfs/dbraw/zinc/77/63/00/606776300.db2.gz JAYIMSZGTMYVNA-UHFFFAOYSA-N -1 3 393.325 3.006 20 0 GGADHM FC(F)COc1ccccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822731985 606777072 /nfs/dbraw/zinc/77/70/72/606777072.db2.gz HCQWCFRKRGGULS-UHFFFAOYSA-N -1 3 376.392 3.320 20 0 GGADHM FC(F)COc1ccccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822731985 606777073 /nfs/dbraw/zinc/77/70/73/606777073.db2.gz HCQWCFRKRGGULS-UHFFFAOYSA-N -1 3 376.392 3.320 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822239953 606781093 /nfs/dbraw/zinc/78/10/93/606781093.db2.gz MBHCSQCVSXZQMH-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822239953 606781094 /nfs/dbraw/zinc/78/10/94/606781094.db2.gz MBHCSQCVSXZQMH-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCc2nccs2)cc1 ZINC000822144181 606785918 /nfs/dbraw/zinc/78/59/18/606785918.db2.gz KTRBCCXXKOEQJW-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCc2nccs2)cc1 ZINC000822144181 606785920 /nfs/dbraw/zinc/78/59/20/606785920.db2.gz KTRBCCXXKOEQJW-UHFFFAOYSA-N -1 3 392.444 3.354 20 0 GGADHM COCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821685989 606789554 /nfs/dbraw/zinc/78/95/54/606789554.db2.gz XHQAGTRPAQUWQG-AWEZNQCLSA-N -1 3 381.436 3.122 20 0 GGADHM COCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821685989 606789556 /nfs/dbraw/zinc/78/95/56/606789556.db2.gz XHQAGTRPAQUWQG-AWEZNQCLSA-N -1 3 381.436 3.122 20 0 GGADHM Clc1ccc(-c2nnn[n-]2)c(Oc2cc(-c3ccccc3)nc3ncnn32)c1 ZINC000822573632 606789812 /nfs/dbraw/zinc/78/98/12/606789812.db2.gz CMFSFHITAIFVDW-UHFFFAOYSA-N -1 3 390.794 3.417 20 0 GGADHM Clc1ccc(-c2nn[n-]n2)c(Oc2cc(-c3ccccc3)nc3ncnn32)c1 ZINC000822573632 606789814 /nfs/dbraw/zinc/78/98/14/606789814.db2.gz CMFSFHITAIFVDW-UHFFFAOYSA-N -1 3 390.794 3.417 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000822135556 606791165 /nfs/dbraw/zinc/79/11/65/606791165.db2.gz DJJYLMOGBJXIMI-GOSISDBHSA-N -1 3 393.447 3.218 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000822135556 606791167 /nfs/dbraw/zinc/79/11/67/606791167.db2.gz DJJYLMOGBJXIMI-GOSISDBHSA-N -1 3 393.447 3.218 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230744 606793565 /nfs/dbraw/zinc/79/35/65/606793565.db2.gz PAKRCJFKCYFCLT-GOSISDBHSA-N -1 3 383.477 3.009 20 0 GGADHM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230744 606793567 /nfs/dbraw/zinc/79/35/67/606793567.db2.gz PAKRCJFKCYFCLT-GOSISDBHSA-N -1 3 383.477 3.009 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821978942 606794548 /nfs/dbraw/zinc/79/45/48/606794548.db2.gz NVFPYXBSOZNXRX-ZDUSSCGKSA-N -1 3 382.493 3.457 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821978942 606794550 /nfs/dbraw/zinc/79/45/50/606794550.db2.gz NVFPYXBSOZNXRX-ZDUSSCGKSA-N -1 3 382.493 3.457 20 0 GGADHM CCC[C@@](C)(O)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821009402 606796255 /nfs/dbraw/zinc/79/62/55/606796255.db2.gz QSHMWOHYLDDKFS-OAQYLSRUSA-N -1 3 395.463 3.248 20 0 GGADHM CCC[C@@](C)(O)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821009402 606796257 /nfs/dbraw/zinc/79/62/57/606796257.db2.gz QSHMWOHYLDDKFS-OAQYLSRUSA-N -1 3 395.463 3.248 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821979791 606799254 /nfs/dbraw/zinc/79/92/54/606799254.db2.gz XJQUKEMWGXCQLJ-UHFFFAOYSA-N -1 3 382.493 3.239 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821979791 606799256 /nfs/dbraw/zinc/79/92/56/606799256.db2.gz XJQUKEMWGXCQLJ-UHFFFAOYSA-N -1 3 382.493 3.239 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821979344 606799260 /nfs/dbraw/zinc/79/92/60/606799260.db2.gz RCQIOKGFIURSIZ-UHFFFAOYSA-N -1 3 386.456 3.036 20 0 GGADHM CSc1cc(C)ccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821979344 606799262 /nfs/dbraw/zinc/79/92/62/606799262.db2.gz RCQIOKGFIURSIZ-UHFFFAOYSA-N -1 3 386.456 3.036 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820359367 606799669 /nfs/dbraw/zinc/79/96/69/606799669.db2.gz SIJRLGNTQGDRDS-MEBBXXQBSA-N -1 3 384.827 3.014 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820359367 606799671 /nfs/dbraw/zinc/79/96/71/606799671.db2.gz SIJRLGNTQGDRDS-MEBBXXQBSA-N -1 3 384.827 3.014 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc2c(c1)COC2 ZINC000820032325 606802276 /nfs/dbraw/zinc/80/22/76/606802276.db2.gz MCLLQKZLHVJFBR-IBGZPJMESA-N -1 3 394.431 3.044 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc2c(c1)COC2 ZINC000820032325 606802278 /nfs/dbraw/zinc/80/22/78/606802278.db2.gz MCLLQKZLHVJFBR-IBGZPJMESA-N -1 3 394.431 3.044 20 0 GGADHM Cc1ccc(OC(F)F)c(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822259141 606802359 /nfs/dbraw/zinc/80/23/59/606802359.db2.gz NOHVGDSBMVIWDN-VQHVLOKHSA-N -1 3 385.374 3.106 20 0 GGADHM Cc1ccc(OC(F)F)c(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822259141 606802361 /nfs/dbraw/zinc/80/23/61/606802361.db2.gz NOHVGDSBMVIWDN-VQHVLOKHSA-N -1 3 385.374 3.106 20 0 GGADHM O=C(OC[C@@H]1CCSC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823400702 606802406 /nfs/dbraw/zinc/80/24/06/606802406.db2.gz IJQNYXMLMICSGY-AWEZNQCLSA-N -1 3 396.472 3.356 20 0 GGADHM O=C(OC[C@@H]1CCSC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823400702 606802408 /nfs/dbraw/zinc/80/24/08/606802408.db2.gz IJQNYXMLMICSGY-AWEZNQCLSA-N -1 3 396.472 3.356 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822983147 606804711 /nfs/dbraw/zinc/80/47/11/606804711.db2.gz LHRKBNXNWFOGPZ-MRXNPFEDSA-N -1 3 396.882 3.166 20 0 GGADHM O=C(CCc1ccccc1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822983147 606804713 /nfs/dbraw/zinc/80/47/13/606804713.db2.gz LHRKBNXNWFOGPZ-MRXNPFEDSA-N -1 3 396.882 3.166 20 0 GGADHM C[C@H](NC(=O)Nc1ccccc1OCC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820379542 606807114 /nfs/dbraw/zinc/80/71/14/606807114.db2.gz CSNFOLQCSBBQEU-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM C[C@H](NC(=O)Nc1ccccc1OCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820379542 606807116 /nfs/dbraw/zinc/80/71/16/606807116.db2.gz CSNFOLQCSBBQEU-NSHDSACASA-N -1 3 388.378 3.393 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)cc1 ZINC000819805068 606809018 /nfs/dbraw/zinc/80/90/18/606809018.db2.gz YKHAFNJBHFWZOU-KRWDZBQOSA-N -1 3 398.854 3.035 20 0 GGADHM CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)cc1 ZINC000819805068 606809020 /nfs/dbraw/zinc/80/90/20/606809020.db2.gz YKHAFNJBHFWZOU-KRWDZBQOSA-N -1 3 398.854 3.035 20 0 GGADHM COc1ccccc1N1CC[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000821899426 606809319 /nfs/dbraw/zinc/80/93/19/606809319.db2.gz YMALZIDBUJQZAE-CQSZACIVSA-N -1 3 387.447 3.114 20 0 GGADHM COc1ccccc1N1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000821899426 606809320 /nfs/dbraw/zinc/80/93/20/606809320.db2.gz YMALZIDBUJQZAE-CQSZACIVSA-N -1 3 387.447 3.114 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC1CCSCC1 ZINC000821389173 606809569 /nfs/dbraw/zinc/80/95/69/606809569.db2.gz HWCJHLNSTXTZQF-UHFFFAOYSA-N -1 3 382.873 3.358 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC1CCSCC1 ZINC000821389173 606809571 /nfs/dbraw/zinc/80/95/71/606809571.db2.gz HWCJHLNSTXTZQF-UHFFFAOYSA-N -1 3 382.873 3.358 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823175511 606810298 /nfs/dbraw/zinc/81/02/98/606810298.db2.gz KLLCQYQGAQFPFP-KRWDZBQOSA-N -1 3 380.477 3.236 20 0 GGADHM O=C(CCc1nc(C2CCCC2)no1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822986368 606810318 /nfs/dbraw/zinc/81/03/18/606810318.db2.gz FLUHZEBRDCDRLQ-UHFFFAOYSA-N -1 3 399.480 3.029 20 0 GGADHM O=C(CCc1nc(C2CCCC2)no1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822986368 606810319 /nfs/dbraw/zinc/81/03/19/606810319.db2.gz FLUHZEBRDCDRLQ-UHFFFAOYSA-N -1 3 399.480 3.029 20 0 GGADHM CCOc1cc(C)ccc1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821395241 606812412 /nfs/dbraw/zinc/81/24/12/606812412.db2.gz UDBHUMPSEYXGLY-UHFFFAOYSA-N -1 3 397.504 3.123 20 0 GGADHM CCOc1cc(C)ccc1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821395241 606812414 /nfs/dbraw/zinc/81/24/14/606812414.db2.gz UDBHUMPSEYXGLY-UHFFFAOYSA-N -1 3 397.504 3.123 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823088710 606815035 /nfs/dbraw/zinc/81/50/35/606815035.db2.gz ZYBYQMPSGTXHAZ-QGZVFWFLSA-N -1 3 388.431 3.304 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823088710 606815037 /nfs/dbraw/zinc/81/50/37/606815037.db2.gz ZYBYQMPSGTXHAZ-QGZVFWFLSA-N -1 3 388.431 3.304 20 0 GGADHM COc1ccc2c(c1)N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000821849819 606826956 /nfs/dbraw/zinc/82/69/56/606826956.db2.gz RMYOIEQKIYWBML-UHFFFAOYSA-N -1 3 395.488 3.337 20 0 GGADHM COc1ccc2c(c1)N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000821849819 606826958 /nfs/dbraw/zinc/82/69/58/606826958.db2.gz RMYOIEQKIYWBML-UHFFFAOYSA-N -1 3 395.488 3.337 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000819899041 606827653 /nfs/dbraw/zinc/82/76/53/606827653.db2.gz MOMMFQNLQFZUMV-INIZCTEOSA-N -1 3 388.472 3.383 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000819899041 606827654 /nfs/dbraw/zinc/82/76/54/606827654.db2.gz MOMMFQNLQFZUMV-INIZCTEOSA-N -1 3 388.472 3.383 20 0 GGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820696716 606828350 /nfs/dbraw/zinc/82/83/50/606828350.db2.gz BMLHDHCDYRBHOV-BLLLJJGKSA-N -1 3 377.489 3.276 20 0 GGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820696716 606828351 /nfs/dbraw/zinc/82/83/51/606828351.db2.gz BMLHDHCDYRBHOV-BLLLJJGKSA-N -1 3 377.489 3.276 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OC[C@@H]2CCCO2)cc1 ZINC000822145560 606830595 /nfs/dbraw/zinc/83/05/95/606830595.db2.gz RSHZAKDSSWCLOH-KRWDZBQOSA-N -1 3 380.404 3.303 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OC[C@@H]2CCCO2)cc1 ZINC000822145560 606830596 /nfs/dbraw/zinc/83/05/96/606830596.db2.gz RSHZAKDSSWCLOH-KRWDZBQOSA-N -1 3 380.404 3.303 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821616831 606835841 /nfs/dbraw/zinc/83/58/41/606835841.db2.gz JZYHEGGWRNCIBW-UHFFFAOYSA-N -1 3 390.476 3.086 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821616831 606835843 /nfs/dbraw/zinc/83/58/43/606835843.db2.gz JZYHEGGWRNCIBW-UHFFFAOYSA-N -1 3 390.476 3.086 20 0 GGADHM Cn1c(SCCCOc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000822604384 606836067 /nfs/dbraw/zinc/83/60/67/606836067.db2.gz DUVPPDXFWJBWQE-UHFFFAOYSA-N -1 3 393.476 3.223 20 0 GGADHM Cn1c(SCCCOc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000822604384 606836069 /nfs/dbraw/zinc/83/60/69/606836069.db2.gz DUVPPDXFWJBWQE-UHFFFAOYSA-N -1 3 393.476 3.223 20 0 GGADHM CCN(CC)C(=O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821175794 606839238 /nfs/dbraw/zinc/83/92/38/606839238.db2.gz WDCDFQYZOBGQSY-UHFFFAOYSA-N -1 3 395.463 3.197 20 0 GGADHM CCN(CC)C(=O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821175794 606839240 /nfs/dbraw/zinc/83/92/40/606839240.db2.gz WDCDFQYZOBGQSY-UHFFFAOYSA-N -1 3 395.463 3.197 20 0 GGADHM CCOC(=O)Nc1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821334100 606839486 /nfs/dbraw/zinc/83/94/86/606839486.db2.gz IOLLZVWYHYZJBY-UHFFFAOYSA-N -1 3 383.408 3.283 20 0 GGADHM CCOC(=O)Nc1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821334100 606839487 /nfs/dbraw/zinc/83/94/87/606839487.db2.gz IOLLZVWYHYZJBY-UHFFFAOYSA-N -1 3 383.408 3.283 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820704500 606842642 /nfs/dbraw/zinc/84/26/42/606842642.db2.gz OLSGXEJQELQRHJ-PBHICJAKSA-N -1 3 389.525 3.064 20 0 GGADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820704500 606842644 /nfs/dbraw/zinc/84/26/44/606842644.db2.gz OLSGXEJQELQRHJ-PBHICJAKSA-N -1 3 389.525 3.064 20 0 GGADHM Cc1cccc(-n2ccnc2SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822284093 606847727 /nfs/dbraw/zinc/84/77/27/606847727.db2.gz JJVPIQCMZLMSES-GOSISDBHSA-N -1 3 392.488 3.495 20 0 GGADHM Cc1cccc(-n2ccnc2SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822284093 606847728 /nfs/dbraw/zinc/84/77/28/606847728.db2.gz JJVPIQCMZLMSES-GOSISDBHSA-N -1 3 392.488 3.495 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820972283 606847861 /nfs/dbraw/zinc/84/78/61/606847861.db2.gz MDGWHNTVSFOWNM-WCQYABFASA-N -1 3 375.498 3.483 20 0 GGADHM CC[C@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820972283 606847863 /nfs/dbraw/zinc/84/78/63/606847863.db2.gz MDGWHNTVSFOWNM-WCQYABFASA-N -1 3 375.498 3.483 20 0 GGADHM COC(=O)c1ccc(CSCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821669559 606849618 /nfs/dbraw/zinc/84/96/18/606849618.db2.gz RLJMLUREPXEAFN-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM COC(=O)c1ccc(CSCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821669559 606849620 /nfs/dbraw/zinc/84/96/20/606849620.db2.gz RLJMLUREPXEAFN-UHFFFAOYSA-N -1 3 376.388 3.365 20 0 GGADHM O=C(NC1(C(F)(F)F)CC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823140195 606850149 /nfs/dbraw/zinc/85/01/49/606850149.db2.gz RINLMTMDRFTFBF-UHFFFAOYSA-N -1 3 389.337 3.484 20 0 GGADHM O=C(NC1(C(F)(F)F)CC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823140195 606850151 /nfs/dbraw/zinc/85/01/51/606850151.db2.gz RINLMTMDRFTFBF-UHFFFAOYSA-N -1 3 389.337 3.484 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000820549493 606850805 /nfs/dbraw/zinc/85/08/05/606850805.db2.gz NSFWLTDKERLKBR-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000820549493 606850807 /nfs/dbraw/zinc/85/08/07/606850807.db2.gz NSFWLTDKERLKBR-JTQLQIEISA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000820549494 606850855 /nfs/dbraw/zinc/85/08/55/606850855.db2.gz NSFWLTDKERLKBR-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000820549494 606850857 /nfs/dbraw/zinc/85/08/57/606850857.db2.gz NSFWLTDKERLKBR-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823257255 606863593 /nfs/dbraw/zinc/86/35/93/606863593.db2.gz GIQWPXRUVJTVCM-QGZVFWFLSA-N -1 3 390.447 3.112 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823257255 606863594 /nfs/dbraw/zinc/86/35/94/606863594.db2.gz GIQWPXRUVJTVCM-QGZVFWFLSA-N -1 3 390.447 3.112 20 0 GGADHM OCC1CCN(c2ccc(Cl)cc2NCc2ccccc2-c2nnn[n-]2)CC1 ZINC000823714656 606865921 /nfs/dbraw/zinc/86/59/21/606865921.db2.gz NULTXMVQVZRLGW-UHFFFAOYSA-N -1 3 398.898 3.341 20 0 GGADHM OCC1CCN(c2ccc(Cl)cc2NCc2ccccc2-c2nn[n-]n2)CC1 ZINC000823714656 606865923 /nfs/dbraw/zinc/86/59/23/606865923.db2.gz NULTXMVQVZRLGW-UHFFFAOYSA-N -1 3 398.898 3.341 20 0 GGADHM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC000820601389 606867112 /nfs/dbraw/zinc/86/71/12/606867112.db2.gz JMKPPUVUIRAVHD-UHFFFAOYSA-N -1 3 389.868 3.007 20 0 GGADHM CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC000820601389 606867114 /nfs/dbraw/zinc/86/71/14/606867114.db2.gz JMKPPUVUIRAVHD-UHFFFAOYSA-N -1 3 389.868 3.007 20 0 GGADHM O=c1c2ccccc2nc(SCC2CC2)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823664727 606867949 /nfs/dbraw/zinc/86/79/49/606867949.db2.gz DDRMLBAOLVUASF-UHFFFAOYSA-N -1 3 376.445 3.068 20 0 GGADHM O=c1c2ccccc2nc(SCC2CC2)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823664727 606867952 /nfs/dbraw/zinc/86/79/52/606867952.db2.gz DDRMLBAOLVUASF-UHFFFAOYSA-N -1 3 376.445 3.068 20 0 GGADHM CC1(C)c2cc(C(=O)CSc3cccc(-c4nnn[n-]4)c3)ccc2NC1=O ZINC000820577112 606868829 /nfs/dbraw/zinc/86/88/29/606868829.db2.gz KNELAGQHOJCGRA-UHFFFAOYSA-N -1 3 379.445 3.071 20 0 GGADHM CC1(C)c2cc(C(=O)CSc3cccc(-c4nn[n-]n4)c3)ccc2NC1=O ZINC000820577112 606868831 /nfs/dbraw/zinc/86/88/31/606868831.db2.gz KNELAGQHOJCGRA-UHFFFAOYSA-N -1 3 379.445 3.071 20 0 GGADHM CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000443008827 606869782 /nfs/dbraw/zinc/86/97/82/606869782.db2.gz HYHQFGZRSFVWRC-UHFFFAOYSA-N -1 3 391.884 3.469 20 0 GGADHM CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000443008827 606869784 /nfs/dbraw/zinc/86/97/84/606869784.db2.gz HYHQFGZRSFVWRC-UHFFFAOYSA-N -1 3 391.884 3.469 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)COC/C=C\c1ccccc1 ZINC000820152063 606871514 /nfs/dbraw/zinc/87/15/14/606871514.db2.gz SHDGPBJATZDOBC-TWGQIWQCSA-N -1 3 393.447 3.322 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)COC/C=C\c1ccccc1 ZINC000820152063 606871515 /nfs/dbraw/zinc/87/15/15/606871515.db2.gz SHDGPBJATZDOBC-TWGQIWQCSA-N -1 3 393.447 3.322 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822211772 606871963 /nfs/dbraw/zinc/87/19/63/606871963.db2.gz NZAJLTTUCOGZLL-ACJLOTCBSA-N -1 3 379.420 3.473 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822211772 606871965 /nfs/dbraw/zinc/87/19/65/606871965.db2.gz NZAJLTTUCOGZLL-ACJLOTCBSA-N -1 3 379.420 3.473 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1ccn(C)c1 ZINC000822211803 606874087 /nfs/dbraw/zinc/87/40/87/606874087.db2.gz OYASPSOURAUUAT-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1ccn(C)c1 ZINC000822211803 606874088 /nfs/dbraw/zinc/87/40/88/606874088.db2.gz OYASPSOURAUUAT-UHFFFAOYSA-N -1 3 388.431 3.345 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H]1CCCCC1(C)C ZINC000821701116 606874742 /nfs/dbraw/zinc/87/47/42/606874742.db2.gz BRFMKULIIQFPIR-KRWDZBQOSA-N -1 3 387.484 3.119 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H]1CCCCC1(C)C ZINC000821701116 606874743 /nfs/dbraw/zinc/87/47/43/606874743.db2.gz BRFMKULIIQFPIR-KRWDZBQOSA-N -1 3 387.484 3.119 20 0 GGADHM COCc1nnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000821696443 606874922 /nfs/dbraw/zinc/87/49/22/606874922.db2.gz DBICLXOMXSSZBM-UHFFFAOYSA-N -1 3 385.478 3.205 20 0 GGADHM Clc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000822568698 606875984 /nfs/dbraw/zinc/87/59/84/606875984.db2.gz WQNCOXYIWNIWBT-LLVKDONJSA-N -1 3 376.251 3.259 20 0 GGADHM Clc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000822568698 606875985 /nfs/dbraw/zinc/87/59/85/606875985.db2.gz WQNCOXYIWNIWBT-LLVKDONJSA-N -1 3 376.251 3.259 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822206149 606877084 /nfs/dbraw/zinc/87/70/84/606877084.db2.gz VYTQQAULJIUWSS-KUHUBIRLSA-N -1 3 395.438 3.415 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822206149 606877086 /nfs/dbraw/zinc/87/70/86/606877086.db2.gz VYTQQAULJIUWSS-KUHUBIRLSA-N -1 3 395.438 3.415 20 0 GGADHM COC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000821669992 606877276 /nfs/dbraw/zinc/87/72/76/606877276.db2.gz IBPFOYOBIVZAEW-UHFFFAOYSA-N -1 3 377.326 3.284 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000822929173 606879915 /nfs/dbraw/zinc/87/99/15/606879915.db2.gz QWFCVTVWQSMHSU-LENZSSGSSA-N -1 3 387.443 3.443 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000822929173 606879917 /nfs/dbraw/zinc/87/99/17/606879917.db2.gz QWFCVTVWQSMHSU-LENZSSGSSA-N -1 3 387.443 3.443 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821617017 606880297 /nfs/dbraw/zinc/88/02/97/606880297.db2.gz SLZBCQJCGVUIPG-UHFFFAOYSA-N -1 3 382.431 3.441 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821617017 606880299 /nfs/dbraw/zinc/88/02/99/606880299.db2.gz SLZBCQJCGVUIPG-UHFFFAOYSA-N -1 3 382.431 3.441 20 0 GGADHM CN(CCCOc1cccc(-c2nn[n-]n2)c1)Cc1nc2c(s1)CCCC2 ZINC000821600194 606908284 /nfs/dbraw/zinc/90/82/84/606908284.db2.gz BLJQGRVVNLEVSB-UHFFFAOYSA-N -1 3 384.509 3.103 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1Br ZINC000823246606 606910586 /nfs/dbraw/zinc/91/05/86/606910586.db2.gz WYJBMPHBXGNMLT-UHFFFAOYSA-N -1 3 391.204 3.090 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1Br ZINC000823246606 606910588 /nfs/dbraw/zinc/91/05/88/606910588.db2.gz WYJBMPHBXGNMLT-UHFFFAOYSA-N -1 3 391.204 3.090 20 0 GGADHM C[C@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456162 606920021 /nfs/dbraw/zinc/92/00/21/606920021.db2.gz QVLMIRDSKCESTI-LBPRGKRZSA-N -1 3 386.481 3.007 20 0 GGADHM C[C@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456162 606920023 /nfs/dbraw/zinc/92/00/23/606920023.db2.gz QVLMIRDSKCESTI-LBPRGKRZSA-N -1 3 386.481 3.007 20 0 GGADHM CCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000821065161 606920346 /nfs/dbraw/zinc/92/03/46/606920346.db2.gz FXFRAWKTHNFAOZ-UHFFFAOYSA-N -1 3 396.417 3.018 20 0 GGADHM CCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000821065161 606920347 /nfs/dbraw/zinc/92/03/47/606920347.db2.gz FXFRAWKTHNFAOZ-UHFFFAOYSA-N -1 3 396.417 3.018 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(Cl)c1F ZINC000820294586 606922361 /nfs/dbraw/zinc/92/23/61/606922361.db2.gz UZUYSTFXBMDVCM-SNVBAGLBSA-N -1 3 376.775 3.284 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(Cl)c1F ZINC000820294586 606922362 /nfs/dbraw/zinc/92/23/62/606922362.db2.gz UZUYSTFXBMDVCM-SNVBAGLBSA-N -1 3 376.775 3.284 20 0 GGADHM CCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000821170797 606922439 /nfs/dbraw/zinc/92/24/39/606922439.db2.gz WXQKHYFDGFKHHC-INIZCTEOSA-N -1 3 388.269 3.189 20 0 GGADHM CCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000821170797 606922441 /nfs/dbraw/zinc/92/24/41/606922441.db2.gz WXQKHYFDGFKHHC-INIZCTEOSA-N -1 3 388.269 3.189 20 0 GGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000822718718 606922960 /nfs/dbraw/zinc/92/29/60/606922960.db2.gz PPTUVAZEPSOHIS-SNVBAGLBSA-N -1 3 395.307 3.433 20 0 GGADHM FC(F)(F)CO[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000822718718 606922962 /nfs/dbraw/zinc/92/29/62/606922962.db2.gz PPTUVAZEPSOHIS-SNVBAGLBSA-N -1 3 395.307 3.433 20 0 GGADHM CCc1nnc(N[C@@H]2CCCc3cc(OC)ccc32)c(-c2nnn[n-]2)c1CC ZINC000821529688 606925744 /nfs/dbraw/zinc/92/57/44/606925744.db2.gz YVNRINBBYOUDKH-QGZVFWFLSA-N -1 3 379.468 3.280 20 0 GGADHM CCc1nnc(N[C@@H]2CCCc3cc(OC)ccc32)c(-c2nn[n-]n2)c1CC ZINC000821529688 606925746 /nfs/dbraw/zinc/92/57/46/606925746.db2.gz YVNRINBBYOUDKH-QGZVFWFLSA-N -1 3 379.468 3.280 20 0 GGADHM Fc1ccc(CNc2cccc(I)c2)cc1-c1nnn[n-]1 ZINC000822772184 606927986 /nfs/dbraw/zinc/92/79/86/606927986.db2.gz SGIDSCOXVQLKQN-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Fc1ccc(CNc2cccc(I)c2)cc1-c1nn[n-]n1 ZINC000822772184 606927987 /nfs/dbraw/zinc/92/79/87/606927987.db2.gz SGIDSCOXVQLKQN-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Cc1c(NCc2ccc(F)c(-c3nnn[n-]3)c2)cccc1C(=O)N1CCCC1 ZINC000822121301 606929315 /nfs/dbraw/zinc/92/93/15/606929315.db2.gz DCGATWUZRVTWKI-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM Cc1c(NCc2ccc(F)c(-c3nn[n-]n3)c2)cccc1C(=O)N1CCCC1 ZINC000822121301 606929316 /nfs/dbraw/zinc/92/93/16/606929316.db2.gz DCGATWUZRVTWKI-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM C[C@@H](NC(=O)NCc1csc(-c2ccco2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820374064 606931468 /nfs/dbraw/zinc/93/14/68/606931468.db2.gz MGGUULRXFBVGOM-LLVKDONJSA-N -1 3 395.448 3.144 20 0 GGADHM C[C@@H](NC(=O)NCc1csc(-c2ccco2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820374064 606931469 /nfs/dbraw/zinc/93/14/69/606931469.db2.gz MGGUULRXFBVGOM-LLVKDONJSA-N -1 3 395.448 3.144 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000821104464 606932554 /nfs/dbraw/zinc/93/25/54/606932554.db2.gz DXJLFJSRXGLPKA-GOSISDBHSA-N -1 3 392.463 3.230 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000821104464 606932556 /nfs/dbraw/zinc/93/25/56/606932556.db2.gz DXJLFJSRXGLPKA-GOSISDBHSA-N -1 3 392.463 3.230 20 0 GGADHM O=C(CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)Nc1ccccc1 ZINC000822968856 606936542 /nfs/dbraw/zinc/93/65/42/606936542.db2.gz CKGARAZMNBMUBT-UHFFFAOYSA-N -1 3 376.342 3.326 20 0 GGADHM O=C(CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)Nc1ccccc1 ZINC000822968856 606936543 /nfs/dbraw/zinc/93/65/43/606936543.db2.gz CKGARAZMNBMUBT-UHFFFAOYSA-N -1 3 376.342 3.326 20 0 GGADHM FC(F)(F)c1ccc(NCc2cccc(-n3cncn3)c2)c(-c2nnn[n-]2)c1 ZINC000822728410 606937734 /nfs/dbraw/zinc/93/77/34/606937734.db2.gz IGZLYYDCTUYRCS-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM FC(F)(F)c1ccc(NCc2cccc(-n3cncn3)c2)c(-c2nn[n-]n2)c1 ZINC000822728410 606937735 /nfs/dbraw/zinc/93/77/35/606937735.db2.gz IGZLYYDCTUYRCS-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM CO[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821675743 606939674 /nfs/dbraw/zinc/93/96/74/606939674.db2.gz SGKOLFYIFJASPE-DVQDXYAYSA-N -1 3 383.839 3.037 20 0 GGADHM CO[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821675743 606939675 /nfs/dbraw/zinc/93/96/75/606939675.db2.gz SGKOLFYIFJASPE-DVQDXYAYSA-N -1 3 383.839 3.037 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000819922005 606941086 /nfs/dbraw/zinc/94/10/86/606941086.db2.gz DMKGMYNWTQYXSK-JTQLQIEISA-N -1 3 383.374 3.054 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000819922005 606941088 /nfs/dbraw/zinc/94/10/88/606941088.db2.gz DMKGMYNWTQYXSK-JTQLQIEISA-N -1 3 383.374 3.054 20 0 GGADHM Cc1cccn2cc(CCNc3ccc(C(F)(F)F)cc3-c3nnn[n-]3)nc12 ZINC000822366127 606942097 /nfs/dbraw/zinc/94/20/97/606942097.db2.gz CIHWIEGQFSVCRN-UHFFFAOYSA-N -1 3 387.369 3.496 20 0 GGADHM Cc1cccn2cc(CCNc3ccc(C(F)(F)F)cc3-c3nn[n-]n3)nc12 ZINC000822366127 606942099 /nfs/dbraw/zinc/94/20/99/606942099.db2.gz CIHWIEGQFSVCRN-UHFFFAOYSA-N -1 3 387.369 3.496 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCc2cc(Br)cc(F)c21 ZINC000823498493 606945741 /nfs/dbraw/zinc/94/57/41/606945741.db2.gz RQFCMKSFKUUPLX-UHFFFAOYSA-N -1 3 394.229 3.033 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCc2cc(Br)cc(F)c21 ZINC000823498493 606945743 /nfs/dbraw/zinc/94/57/43/606945743.db2.gz RQFCMKSFKUUPLX-UHFFFAOYSA-N -1 3 394.229 3.033 20 0 GGADHM CCc1nnc(N2CC(Cc3ccccc3Cl)C2)c(-c2nnn[n-]2)c1CC ZINC000821522660 606946451 /nfs/dbraw/zinc/94/64/51/606946451.db2.gz NCKHBNGHIAFYQH-UHFFFAOYSA-N -1 3 383.887 3.114 20 0 GGADHM CCc1nnc(N2CC(Cc3ccccc3Cl)C2)c(-c2nn[n-]n2)c1CC ZINC000821522660 606946452 /nfs/dbraw/zinc/94/64/52/606946452.db2.gz NCKHBNGHIAFYQH-UHFFFAOYSA-N -1 3 383.887 3.114 20 0 GGADHM CC(C)[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC(C)(C)C ZINC000820184002 606947544 /nfs/dbraw/zinc/94/75/44/606947544.db2.gz RWJBKXWIGDMTSV-CYBMUJFWSA-N -1 3 394.863 3.008 20 0 GGADHM CC(C)[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC(C)(C)C ZINC000820184002 606947545 /nfs/dbraw/zinc/94/75/45/606947545.db2.gz RWJBKXWIGDMTSV-CYBMUJFWSA-N -1 3 394.863 3.008 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCC2 ZINC000821357270 606947559 /nfs/dbraw/zinc/94/75/59/606947559.db2.gz BRMDUBFZIUJCNL-GJZGRUSLSA-N -1 3 390.875 3.332 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC000821357270 606947561 /nfs/dbraw/zinc/94/75/61/606947561.db2.gz BRMDUBFZIUJCNL-GJZGRUSLSA-N -1 3 390.875 3.332 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)OCCCOc3cccc(-c4nnn[n-]4)c3)c21 ZINC000822331365 606948397 /nfs/dbraw/zinc/94/83/97/606948397.db2.gz FZIGTVKHUJIMOY-UHFFFAOYSA-N -1 3 391.431 3.211 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)OCCCOc3cccc(-c4nn[n-]n4)c3)c21 ZINC000822331365 606948399 /nfs/dbraw/zinc/94/83/99/606948399.db2.gz FZIGTVKHUJIMOY-UHFFFAOYSA-N -1 3 391.431 3.211 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCOC2(C1)CCCCCC2 ZINC000823303919 606948813 /nfs/dbraw/zinc/94/88/13/606948813.db2.gz YPCQWHIVCLVCCP-UHFFFAOYSA-N -1 3 390.875 3.477 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCOC2(C1)CCCCCC2 ZINC000823303919 606948814 /nfs/dbraw/zinc/94/88/14/606948814.db2.gz YPCQWHIVCLVCCP-UHFFFAOYSA-N -1 3 390.875 3.477 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348501 606952176 /nfs/dbraw/zinc/95/21/76/606952176.db2.gz DIAPEBHUWJOIIO-BEFAXECRSA-N -1 3 391.479 3.214 20 0 GGADHM C[C@@H](NC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348501 606952178 /nfs/dbraw/zinc/95/21/78/606952178.db2.gz DIAPEBHUWJOIIO-BEFAXECRSA-N -1 3 391.479 3.214 20 0 GGADHM C[C@@H](OC(=O)c1ccc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820511928 606953733 /nfs/dbraw/zinc/95/37/33/606953733.db2.gz FRWJSYVSOPSKLH-LLVKDONJSA-N -1 3 399.476 3.410 20 0 GGADHM C[C@@H](OC(=O)c1ccc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820511928 606953735 /nfs/dbraw/zinc/95/37/35/606953735.db2.gz FRWJSYVSOPSKLH-LLVKDONJSA-N -1 3 399.476 3.410 20 0 GGADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823145021 606954401 /nfs/dbraw/zinc/95/44/01/606954401.db2.gz OLUFRUXKYAPJHB-HNNXBMFYSA-N -1 3 399.401 3.363 20 0 GGADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823145021 606954403 /nfs/dbraw/zinc/95/44/03/606954403.db2.gz OLUFRUXKYAPJHB-HNNXBMFYSA-N -1 3 399.401 3.363 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821616908 606955203 /nfs/dbraw/zinc/95/52/03/606955203.db2.gz NHRSGTSPAOAYCZ-UHFFFAOYSA-N -1 3 392.398 3.060 20 0 GGADHM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821616908 606955205 /nfs/dbraw/zinc/95/52/05/606955205.db2.gz NHRSGTSPAOAYCZ-UHFFFAOYSA-N -1 3 392.398 3.060 20 0 GGADHM CC(C)COc1ccc([C@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102670 606957015 /nfs/dbraw/zinc/95/70/15/606957015.db2.gz GHRYDBYIYFELOV-HNNXBMFYSA-N -1 3 395.463 3.158 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820950889 606957722 /nfs/dbraw/zinc/95/77/22/606957722.db2.gz SDYHNBYLTGFQHC-HXUWFJFHSA-N -1 3 381.436 3.301 20 0 GGADHM Cc1ccc(Br)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822224844 606957786 /nfs/dbraw/zinc/95/77/86/606957786.db2.gz CJXKADCRDBTBBR-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM Cc1ccc(Br)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822224844 606957787 /nfs/dbraw/zinc/95/77/87/606957787.db2.gz CJXKADCRDBTBBR-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822402539 606958083 /nfs/dbraw/zinc/95/80/83/606958083.db2.gz DMBDRUPHIGMNQV-UHFFFAOYSA-N -1 3 389.419 3.494 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822402539 606958084 /nfs/dbraw/zinc/95/80/84/606958084.db2.gz DMBDRUPHIGMNQV-UHFFFAOYSA-N -1 3 389.419 3.494 20 0 GGADHM CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821020662 606958879 /nfs/dbraw/zinc/95/88/79/606958879.db2.gz GIGXJBGCVQQUHX-QGZVFWFLSA-N -1 3 386.406 3.486 20 0 GGADHM CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821020662 606958881 /nfs/dbraw/zinc/95/88/81/606958881.db2.gz GIGXJBGCVQQUHX-QGZVFWFLSA-N -1 3 386.406 3.486 20 0 GGADHM Fc1ccc([C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CCO2)cc1Cl ZINC000822766975 606968917 /nfs/dbraw/zinc/96/89/17/606968917.db2.gz REXPWSNKZZOQNC-KRWDZBQOSA-N -1 3 391.809 3.372 20 0 GGADHM Fc1ccc([C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CCO2)cc1Cl ZINC000822766975 606968918 /nfs/dbraw/zinc/96/89/18/606968918.db2.gz REXPWSNKZZOQNC-KRWDZBQOSA-N -1 3 391.809 3.372 20 0 GGADHM CN(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821570771 606973039 /nfs/dbraw/zinc/97/30/39/606973039.db2.gz KJDCZAZAAXEWOA-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM CN(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821570771 606973040 /nfs/dbraw/zinc/97/30/40/606973040.db2.gz KJDCZAZAAXEWOA-UHFFFAOYSA-N -1 3 378.219 3.215 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822534906 606974797 /nfs/dbraw/zinc/97/47/97/606974797.db2.gz BPQRCPXTCSQDHZ-UHFFFAOYSA-N -1 3 380.433 3.097 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822534906 606974800 /nfs/dbraw/zinc/97/48/00/606974800.db2.gz BPQRCPXTCSQDHZ-UHFFFAOYSA-N -1 3 380.433 3.097 20 0 GGADHM CN(C(=O)Cc1csc(-c2cccs2)n1)c1ccccc1-c1nnn[n-]1 ZINC000821572187 606975442 /nfs/dbraw/zinc/97/54/42/606975442.db2.gz VGENMYZYBVQWDW-UHFFFAOYSA-N -1 3 382.474 3.257 20 0 GGADHM CN(C(=O)Cc1csc(-c2cccs2)n1)c1ccccc1-c1nn[n-]n1 ZINC000821572187 606975443 /nfs/dbraw/zinc/97/54/43/606975443.db2.gz VGENMYZYBVQWDW-UHFFFAOYSA-N -1 3 382.474 3.257 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000819996805 606978392 /nfs/dbraw/zinc/97/83/92/606978392.db2.gz JOMPWSDZMQIOJS-SFHVURJKSA-N -1 3 377.448 3.218 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000819996805 606978393 /nfs/dbraw/zinc/97/83/93/606978393.db2.gz JOMPWSDZMQIOJS-SFHVURJKSA-N -1 3 377.448 3.218 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000819996888 606978416 /nfs/dbraw/zinc/97/84/16/606978416.db2.gz MMDOAFXSMQWQKV-UHFFFAOYSA-N -1 3 385.855 3.036 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000819996888 606978417 /nfs/dbraw/zinc/97/84/17/606978417.db2.gz MMDOAFXSMQWQKV-UHFFFAOYSA-N -1 3 385.855 3.036 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1cccc(F)c1F ZINC000821699216 606982203 /nfs/dbraw/zinc/98/22/03/606982203.db2.gz GZNCMVPFMALQET-UHFFFAOYSA-N -1 3 397.179 3.495 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1cccc(F)c1F ZINC000821699216 606982204 /nfs/dbraw/zinc/98/22/04/606982204.db2.gz GZNCMVPFMALQET-UHFFFAOYSA-N -1 3 397.179 3.495 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1cccnc1Cl ZINC000821699374 606982369 /nfs/dbraw/zinc/98/23/69/606982369.db2.gz NXSILKOGHMJOSO-UHFFFAOYSA-N -1 3 396.632 3.265 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1cccnc1Cl ZINC000821699374 606982371 /nfs/dbraw/zinc/98/23/71/606982371.db2.gz NXSILKOGHMJOSO-UHFFFAOYSA-N -1 3 396.632 3.265 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCCOc1ccccc1 ZINC000821699491 606982887 /nfs/dbraw/zinc/98/28/87/606982887.db2.gz SAFFYZLFMVBXDV-UHFFFAOYSA-N -1 3 391.225 3.096 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCCOc1ccccc1 ZINC000821699491 606982888 /nfs/dbraw/zinc/98/28/88/606982888.db2.gz SAFFYZLFMVBXDV-UHFFFAOYSA-N -1 3 391.225 3.096 20 0 GGADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)[C@H]1CCCCO1 ZINC000819981042 606988523 /nfs/dbraw/zinc/98/85/23/606988523.db2.gz LDOULRHIQVJMOX-GOSISDBHSA-N -1 3 398.511 3.136 20 0 GGADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)[C@H]1CCCCO1 ZINC000819981042 606988524 /nfs/dbraw/zinc/98/85/24/606988524.db2.gz LDOULRHIQVJMOX-GOSISDBHSA-N -1 3 398.511 3.136 20 0 GGADHM COc1ccc2c(c1)CCCN2C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821849619 606989520 /nfs/dbraw/zinc/98/95/20/606989520.db2.gz NGRDEZJCNKZCAY-UHFFFAOYSA-N -1 3 393.447 3.012 20 0 GGADHM COc1ccc2c(c1)CCCN2C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821849619 606989521 /nfs/dbraw/zinc/98/95/21/606989521.db2.gz NGRDEZJCNKZCAY-UHFFFAOYSA-N -1 3 393.447 3.012 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000820001586 606990125 /nfs/dbraw/zinc/99/01/25/606990125.db2.gz TYGOCVZBZSAHLB-UHFFFAOYSA-N -1 3 388.431 3.454 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000820001586 606990126 /nfs/dbraw/zinc/99/01/26/606990126.db2.gz TYGOCVZBZSAHLB-UHFFFAOYSA-N -1 3 388.431 3.454 20 0 GGADHM Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822202053 606990214 /nfs/dbraw/zinc/99/02/14/606990214.db2.gz JBGKNHJLYXQQKN-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822202053 606990215 /nfs/dbraw/zinc/99/02/15/606990215.db2.gz JBGKNHJLYXQQKN-UHFFFAOYSA-N -1 3 376.775 3.090 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823111465 606990902 /nfs/dbraw/zinc/99/09/02/606990902.db2.gz JHPBAHXRTAJZFW-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823111465 606990903 /nfs/dbraw/zinc/99/09/03/606990903.db2.gz JHPBAHXRTAJZFW-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O[C@@H](CN1CCc2c(Cl)cc(Cl)cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681256 606991203 /nfs/dbraw/zinc/99/12/03/606991203.db2.gz CITSIOQJDJRLSV-KRWDZBQOSA-N -1 3 390.274 3.265 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000822224938 606992304 /nfs/dbraw/zinc/99/23/04/606992304.db2.gz GRMXZYKVUIEGHC-UHFFFAOYSA-N -1 3 382.395 3.329 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000822224938 606992306 /nfs/dbraw/zinc/99/23/06/606992306.db2.gz GRMXZYKVUIEGHC-UHFFFAOYSA-N -1 3 382.395 3.329 20 0 GGADHM O=C(CSc1ccc(F)c(F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823066183 606992499 /nfs/dbraw/zinc/99/24/99/606992499.db2.gz OMHTUFMMSTVDIO-UHFFFAOYSA-N -1 3 380.351 3.120 20 0 GGADHM O=C(CSc1ccc(F)c(F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823066183 606992501 /nfs/dbraw/zinc/99/25/01/606992501.db2.gz OMHTUFMMSTVDIO-UHFFFAOYSA-N -1 3 380.351 3.120 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820550742 606993181 /nfs/dbraw/zinc/99/31/81/606993181.db2.gz YOCJDJWEIPXCKL-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820550742 606993182 /nfs/dbraw/zinc/99/31/82/606993182.db2.gz YOCJDJWEIPXCKL-SNVBAGLBSA-N -1 3 376.775 3.170 20 0 GGADHM CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821220905 606993904 /nfs/dbraw/zinc/99/39/04/606993904.db2.gz FYWXFKYUWNIWRT-UHFFFAOYSA-N -1 3 395.463 3.081 20 0 GGADHM CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821220905 606993906 /nfs/dbraw/zinc/99/39/06/606993906.db2.gz FYWXFKYUWNIWRT-UHFFFAOYSA-N -1 3 395.463 3.081 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823040275 606993921 /nfs/dbraw/zinc/99/39/21/606993921.db2.gz GERLBGQEQNTKJS-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823040275 606993922 /nfs/dbraw/zinc/99/39/22/606993922.db2.gz GERLBGQEQNTKJS-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000823426141 606994374 /nfs/dbraw/zinc/99/43/74/606994374.db2.gz ABAJUFFFSIEXLX-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000823426141 606994375 /nfs/dbraw/zinc/99/43/75/606994375.db2.gz ABAJUFFFSIEXLX-UHFFFAOYSA-N -1 3 396.300 3.304 20 0 GGADHM CCOc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000821401016 606998114 /nfs/dbraw/zinc/99/81/14/606998114.db2.gz SIQYBUIYILJHJG-UHFFFAOYSA-N -1 3 397.435 3.070 20 0 GGADHM CCOc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000821401016 606998115 /nfs/dbraw/zinc/99/81/15/606998115.db2.gz SIQYBUIYILJHJG-UHFFFAOYSA-N -1 3 397.435 3.070 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823111398 606999185 /nfs/dbraw/zinc/99/91/85/606999185.db2.gz GZZUQXLIOQFQLY-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1cccc(Br)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823111398 606999187 /nfs/dbraw/zinc/99/91/87/606999187.db2.gz GZZUQXLIOQFQLY-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM COc1ccccc1-c1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000821877906 607006770 /nfs/dbraw/zinc/00/67/70/607006770.db2.gz YXBLCOMQCIGDTC-UHFFFAOYSA-N -1 3 384.396 3.357 20 0 GGADHM COc1ccccc1-c1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000821877906 607006772 /nfs/dbraw/zinc/00/67/72/607006772.db2.gz YXBLCOMQCIGDTC-UHFFFAOYSA-N -1 3 384.396 3.357 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823551032 607009284 /nfs/dbraw/zinc/00/92/84/607009284.db2.gz CGWCGPMBMSRFGH-NTUHNPAUSA-N -1 3 387.421 3.304 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823551032 607009286 /nfs/dbraw/zinc/00/92/86/607009286.db2.gz CGWCGPMBMSRFGH-NTUHNPAUSA-N -1 3 387.421 3.304 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000823359630 607010132 /nfs/dbraw/zinc/01/01/32/607010132.db2.gz QXBVISXHVWOVFY-AWEZNQCLSA-N -1 3 376.342 3.162 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000823359630 607010134 /nfs/dbraw/zinc/01/01/34/607010134.db2.gz QXBVISXHVWOVFY-AWEZNQCLSA-N -1 3 376.342 3.162 20 0 GGADHM Cc1c([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnn1-c1ccc(C)cc1 ZINC000822224918 607012918 /nfs/dbraw/zinc/01/29/18/607012918.db2.gz GARIEXTUCXAEMS-CABCVRRESA-N -1 3 388.479 3.476 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822248393 607014000 /nfs/dbraw/zinc/01/40/00/607014000.db2.gz DEUUSQFFOZMSIN-ZDUSSCGKSA-N -1 3 396.476 3.312 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822248393 607014002 /nfs/dbraw/zinc/01/40/02/607014002.db2.gz DEUUSQFFOZMSIN-ZDUSSCGKSA-N -1 3 396.476 3.312 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000820001407 607016654 /nfs/dbraw/zinc/01/66/54/607016654.db2.gz LFHUQEFIIQZPNH-UHFFFAOYSA-N -1 3 389.419 3.053 20 0 GGADHM CSc1cccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821985086 607021039 /nfs/dbraw/zinc/02/10/39/607021039.db2.gz YTFRQLCEVNQBFR-UHFFFAOYSA-N -1 3 383.477 3.409 20 0 GGADHM CSc1cccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821985086 607021041 /nfs/dbraw/zinc/02/10/41/607021041.db2.gz YTFRQLCEVNQBFR-UHFFFAOYSA-N -1 3 383.477 3.409 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000819991276 607022100 /nfs/dbraw/zinc/02/21/00/607022100.db2.gz DLRPEVIYEPKPOA-OAHLLOKOSA-N -1 3 395.438 3.179 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000819991276 607022101 /nfs/dbraw/zinc/02/21/01/607022101.db2.gz DLRPEVIYEPKPOA-OAHLLOKOSA-N -1 3 395.438 3.179 20 0 GGADHM Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)cc1-c1nnn[n-]1 ZINC000822384700 607022466 /nfs/dbraw/zinc/02/24/66/607022466.db2.gz PLKMHNJZAMMVHF-UHFFFAOYSA-N -1 3 385.225 3.442 20 0 GGADHM Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)cc1-c1nn[n-]n1 ZINC000822384700 607022468 /nfs/dbraw/zinc/02/24/68/607022468.db2.gz PLKMHNJZAMMVHF-UHFFFAOYSA-N -1 3 385.225 3.442 20 0 GGADHM Cc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1Cl ZINC000822210793 607024656 /nfs/dbraw/zinc/02/46/56/607024656.db2.gz RHCCMOPWHALXKQ-ZDUSSCGKSA-N -1 3 385.855 3.393 20 0 GGADHM Cc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1Cl ZINC000822210793 607024657 /nfs/dbraw/zinc/02/46/57/607024657.db2.gz RHCCMOPWHALXKQ-ZDUSSCGKSA-N -1 3 385.855 3.393 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000820001537 607028150 /nfs/dbraw/zinc/02/81/50/607028150.db2.gz RJZVZGIMLPXADU-UHFFFAOYSA-N -1 3 393.447 3.452 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000820001537 607028152 /nfs/dbraw/zinc/02/81/52/607028152.db2.gz RJZVZGIMLPXADU-UHFFFAOYSA-N -1 3 393.447 3.452 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000820295084 607028414 /nfs/dbraw/zinc/02/84/14/607028414.db2.gz XRNNPGYWNWOFKJ-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000820295084 607028416 /nfs/dbraw/zinc/02/84/16/607028416.db2.gz XRNNPGYWNWOFKJ-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCOC2(CCCC2)C1 ZINC000822774178 607031822 /nfs/dbraw/zinc/03/18/22/607031822.db2.gz GLTANWHOWIQHSE-UHFFFAOYSA-N -1 3 388.834 3.357 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCOC2(CCCC2)C1 ZINC000822774178 607031823 /nfs/dbraw/zinc/03/18/23/607031823.db2.gz GLTANWHOWIQHSE-UHFFFAOYSA-N -1 3 388.834 3.357 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823359445 607037584 /nfs/dbraw/zinc/03/75/84/607037584.db2.gz OHZXOMKDGPUQEO-SJORKVTESA-N -1 3 396.451 3.360 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823359445 607037587 /nfs/dbraw/zinc/03/75/87/607037587.db2.gz OHZXOMKDGPUQEO-SJORKVTESA-N -1 3 396.451 3.360 20 0 GGADHM Cn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccccc1F ZINC000822604575 607037800 /nfs/dbraw/zinc/03/78/00/607037800.db2.gz HQQBEAJUPFSKIT-UHFFFAOYSA-N -1 3 385.403 3.233 20 0 GGADHM Cn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccccc1F ZINC000822604575 607037802 /nfs/dbraw/zinc/03/78/02/607037802.db2.gz HQQBEAJUPFSKIT-UHFFFAOYSA-N -1 3 385.403 3.233 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)o1 ZINC000821897639 607039938 /nfs/dbraw/zinc/03/99/38/607039938.db2.gz JGTRKWQUNPCYBQ-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)o1 ZINC000821897639 607039939 /nfs/dbraw/zinc/03/99/39/607039939.db2.gz JGTRKWQUNPCYBQ-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1cccc([C@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)c1 ZINC000821863694 607040173 /nfs/dbraw/zinc/04/01/73/607040173.db2.gz MZQMHFFUQXMSFV-LJQANCHMSA-N -1 3 388.431 3.001 20 0 GGADHM COc1cccc([C@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)c1 ZINC000821863694 607040174 /nfs/dbraw/zinc/04/01/74/607040174.db2.gz MZQMHFFUQXMSFV-LJQANCHMSA-N -1 3 388.431 3.001 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000823551096 607040646 /nfs/dbraw/zinc/04/06/46/607040646.db2.gz FEXBSWDWGJXCDG-NTUHNPAUSA-N -1 3 387.421 3.304 20 0 GGADHM O=C1SC(=Cc2cccs2)C(=O)N1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000823551096 607040648 /nfs/dbraw/zinc/04/06/48/607040648.db2.gz FEXBSWDWGJXCDG-NTUHNPAUSA-N -1 3 387.421 3.304 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2c(Cl)cccc2C1 ZINC000819996233 607040940 /nfs/dbraw/zinc/04/09/40/607040940.db2.gz CHUWCHXLJZVSSH-UHFFFAOYSA-N -1 3 397.866 3.262 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c(Cl)cccc2C1 ZINC000819996233 607040941 /nfs/dbraw/zinc/04/09/41/607040941.db2.gz CHUWCHXLJZVSSH-UHFFFAOYSA-N -1 3 397.866 3.262 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000821431307 607041668 /nfs/dbraw/zinc/04/16/68/607041668.db2.gz PCFICESDWGPQFB-KRWDZBQOSA-N -1 3 395.463 3.220 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000821431307 607041669 /nfs/dbraw/zinc/04/16/69/607041669.db2.gz PCFICESDWGPQFB-KRWDZBQOSA-N -1 3 395.463 3.220 20 0 GGADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821127561 607047580 /nfs/dbraw/zinc/04/75/80/607047580.db2.gz IVMMLJQAEMAKRC-UHFFFAOYSA-N -1 3 379.346 3.288 20 0 GGADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821127561 607047582 /nfs/dbraw/zinc/04/75/82/607047582.db2.gz IVMMLJQAEMAKRC-UHFFFAOYSA-N -1 3 379.346 3.288 20 0 GGADHM C[C@@H](CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)Sc1ccccc1 ZINC000820262018 607048592 /nfs/dbraw/zinc/04/85/92/607048592.db2.gz QNOIDEIGBODGPI-AWEZNQCLSA-N -1 3 397.504 3.321 20 0 GGADHM C[C@@H](CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)Sc1ccccc1 ZINC000820262018 607048595 /nfs/dbraw/zinc/04/85/95/607048595.db2.gz QNOIDEIGBODGPI-AWEZNQCLSA-N -1 3 397.504 3.321 20 0 GGADHM CC(C)(C)c1cnc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820001224 607048846 /nfs/dbraw/zinc/04/88/46/607048846.db2.gz FNSAWSYOXNHQPT-UHFFFAOYSA-N -1 3 386.481 3.417 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000822222454 607049381 /nfs/dbraw/zinc/04/93/81/607049381.db2.gz HOSVFMQHOSYLIB-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000822222454 607049383 /nfs/dbraw/zinc/04/93/83/607049383.db2.gz HOSVFMQHOSYLIB-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000819992465 607059947 /nfs/dbraw/zinc/05/99/47/607059947.db2.gz YMOQFCWMMNTNKV-INIZCTEOSA-N -1 3 395.438 3.179 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000819992465 607059949 /nfs/dbraw/zinc/05/99/49/607059949.db2.gz YMOQFCWMMNTNKV-INIZCTEOSA-N -1 3 395.438 3.179 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823111721 607074658 /nfs/dbraw/zinc/07/46/58/607074658.db2.gz LSKNDKDWSLRAJG-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(Cc1cccc(C(F)(F)F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823111721 607074659 /nfs/dbraw/zinc/07/46/59/607074659.db2.gz LSKNDKDWSLRAJG-UHFFFAOYSA-N -1 3 380.301 3.311 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccnc1SC(F)F ZINC000823417737 607074700 /nfs/dbraw/zinc/07/47/00/607074700.db2.gz HEMBJYRCCCXGDM-UHFFFAOYSA-N -1 3 381.339 3.073 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccnc1SC(F)F ZINC000823417737 607074702 /nfs/dbraw/zinc/07/47/02/607074702.db2.gz HEMBJYRCCCXGDM-UHFFFAOYSA-N -1 3 381.339 3.073 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(F)ccc1Br ZINC000823413847 607076874 /nfs/dbraw/zinc/07/68/74/607076874.db2.gz OLVMFBPVFKCYGT-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(F)ccc1Br ZINC000823413847 607076876 /nfs/dbraw/zinc/07/68/76/607076876.db2.gz OLVMFBPVFKCYGT-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM Cc1oc(-c2cccs2)nc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822535360 607079331 /nfs/dbraw/zinc/07/93/31/607079331.db2.gz OLPUKVCRYKCUMG-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1oc(-c2cccs2)nc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822535360 607079332 /nfs/dbraw/zinc/07/93/32/607079332.db2.gz OLPUKVCRYKCUMG-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM CCC(=O)c1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820843407 607079349 /nfs/dbraw/zinc/07/93/49/607079349.db2.gz YHFASIZLKBATAR-UHFFFAOYSA-N -1 3 380.404 3.222 20 0 GGADHM O=C(OC[C@H]1CCCOC1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823396287 607081657 /nfs/dbraw/zinc/08/16/57/607081657.db2.gz HZUDXZIBDNIPDN-HNNXBMFYSA-N -1 3 394.431 3.029 20 0 GGADHM O=C(OC[C@H]1CCCOC1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823396287 607081660 /nfs/dbraw/zinc/08/16/60/607081660.db2.gz HZUDXZIBDNIPDN-HNNXBMFYSA-N -1 3 394.431 3.029 20 0 GGADHM O=C(OC[C@H]1CCCOC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823396423 607081742 /nfs/dbraw/zinc/08/17/42/607081742.db2.gz JIKDCXFFBRPKTL-AWEZNQCLSA-N -1 3 379.420 3.194 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823397513 607082268 /nfs/dbraw/zinc/08/22/68/607082268.db2.gz WRBIXOORHOQWRF-MRXNPFEDSA-N -1 3 394.431 3.029 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823397513 607082270 /nfs/dbraw/zinc/08/22/70/607082270.db2.gz WRBIXOORHOQWRF-MRXNPFEDSA-N -1 3 394.431 3.029 20 0 GGADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000820480462 607082658 /nfs/dbraw/zinc/08/26/58/607082658.db2.gz KOEPHHZSDLKQKI-LBPRGKRZSA-N -1 3 392.419 3.205 20 0 GGADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820818656 607083655 /nfs/dbraw/zinc/08/36/55/607083655.db2.gz AHJKFLNFURVVLA-VIFPVBQESA-N -1 3 391.262 3.272 20 0 GGADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820818656 607083657 /nfs/dbraw/zinc/08/36/57/607083657.db2.gz AHJKFLNFURVVLA-VIFPVBQESA-N -1 3 391.262 3.272 20 0 GGADHM O=C(CNc1cccc(C(F)(F)F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823015017 607084240 /nfs/dbraw/zinc/08/42/40/607084240.db2.gz ZGVPFYOFTIPYIE-UHFFFAOYSA-N -1 3 395.316 3.180 20 0 GGADHM O=C(CNc1cccc(C(F)(F)F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823015017 607084242 /nfs/dbraw/zinc/08/42/42/607084242.db2.gz ZGVPFYOFTIPYIE-UHFFFAOYSA-N -1 3 395.316 3.180 20 0 GGADHM Cc1cccc2c(CCC(=O)OCc3cc(F)ccc3-c3nnn[n-]3)c[nH]c21 ZINC000822332805 607084545 /nfs/dbraw/zinc/08/45/45/607084545.db2.gz TZPWEDOQOZUOFA-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM Cc1cccc2c(CCC(=O)OCc3cc(F)ccc3-c3nn[n-]n3)c[nH]c21 ZINC000822332805 607084547 /nfs/dbraw/zinc/08/45/47/607084547.db2.gz TZPWEDOQOZUOFA-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)C(=O)c1cccc(F)c1 ZINC000820225473 607085345 /nfs/dbraw/zinc/08/53/45/607085345.db2.gz JNWPKCIBBHOQHT-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)C(=O)c1cccc(F)c1 ZINC000820225473 607085346 /nfs/dbraw/zinc/08/53/46/607085346.db2.gz JNWPKCIBBHOQHT-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM Cc1ccc2c(CCC(=O)OCc3cc(F)ccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000822275162 607086281 /nfs/dbraw/zinc/08/62/81/607086281.db2.gz ONQAHLIZJUSOKE-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM Cc1ccc2c(CCC(=O)OCc3cc(F)ccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000822275162 607086282 /nfs/dbraw/zinc/08/62/82/607086282.db2.gz ONQAHLIZJUSOKE-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cncc(-c2ccccc2)c1 ZINC000823417884 607087863 /nfs/dbraw/zinc/08/78/63/607087863.db2.gz LCSXIPGYQZAUKQ-UHFFFAOYSA-N -1 3 375.363 3.425 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cncc(-c2ccccc2)c1 ZINC000823417884 607087865 /nfs/dbraw/zinc/08/78/65/607087865.db2.gz LCSXIPGYQZAUKQ-UHFFFAOYSA-N -1 3 375.363 3.425 20 0 GGADHM CCC(=CC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC ZINC000820832189 607092696 /nfs/dbraw/zinc/09/26/96/607092696.db2.gz IDMMACMIXITMQE-JTQLQIEISA-N -1 3 377.832 3.137 20 0 GGADHM CCC(=CC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC ZINC000820832189 607092697 /nfs/dbraw/zinc/09/26/97/607092697.db2.gz IDMMACMIXITMQE-JTQLQIEISA-N -1 3 377.832 3.137 20 0 GGADHM CCC(=O)c1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000820841602 607093029 /nfs/dbraw/zinc/09/30/29/607093029.db2.gz AMPBYBGJQNYXRU-UHFFFAOYSA-N -1 3 398.394 3.362 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2sc(Cl)cc21 ZINC000823037430 607094536 /nfs/dbraw/zinc/09/45/36/607094536.db2.gz XWGOVZGVLDVGQN-GFCCVEGCSA-N -1 3 376.825 3.191 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380319 607095266 /nfs/dbraw/zinc/09/52/66/607095266.db2.gz QDSAFDXYJQZWIP-LBPRGKRZSA-N -1 3 378.436 3.463 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380319 607095268 /nfs/dbraw/zinc/09/52/68/607095268.db2.gz QDSAFDXYJQZWIP-LBPRGKRZSA-N -1 3 378.436 3.463 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821395234 607095539 /nfs/dbraw/zinc/09/55/39/607095539.db2.gz TXJWKAWMKDNTBH-UHFFFAOYSA-N -1 3 390.806 3.380 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821395234 607095541 /nfs/dbraw/zinc/09/55/41/607095541.db2.gz TXJWKAWMKDNTBH-UHFFFAOYSA-N -1 3 390.806 3.380 20 0 GGADHM Cc1cccc(C)c1CNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000822293734 607095914 /nfs/dbraw/zinc/09/59/14/607095914.db2.gz JSXYVKFBYNBXTQ-UHFFFAOYSA-N -1 3 396.520 3.212 20 0 GGADHM Cc1cccc(C)c1CNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000822293734 607095915 /nfs/dbraw/zinc/09/59/15/607095915.db2.gz JSXYVKFBYNBXTQ-UHFFFAOYSA-N -1 3 396.520 3.212 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913083 607097178 /nfs/dbraw/zinc/09/71/78/607097178.db2.gz CPZHQDITSDMZPL-IBGZPJMESA-N -1 3 378.480 3.420 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913083 607097180 /nfs/dbraw/zinc/09/71/80/607097180.db2.gz CPZHQDITSDMZPL-IBGZPJMESA-N -1 3 378.480 3.420 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000821292912 607099359 /nfs/dbraw/zinc/09/93/59/607099359.db2.gz GXHMPEPOQFHOCW-OLZOCXBDSA-N -1 3 384.390 3.319 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000821294841 607099492 /nfs/dbraw/zinc/09/94/92/607099492.db2.gz YUXKRERIIYBAFO-RYUDHWBXSA-N -1 3 384.390 3.319 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1SCCc2sccc21 ZINC000821292475 607100455 /nfs/dbraw/zinc/10/04/55/607100455.db2.gz BMHJUDYOSTZTLY-HNNXBMFYSA-N -1 3 386.506 3.329 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000821305076 607100962 /nfs/dbraw/zinc/10/09/62/607100962.db2.gz WIHPWJMNPOHVFT-UHFFFAOYSA-N -1 3 388.435 3.045 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1cccc(OC)c1 ZINC000821304286 607101861 /nfs/dbraw/zinc/10/18/61/607101861.db2.gz DYSSBXOJIILYRV-UHFFFAOYSA-N -1 3 384.465 3.038 20 0 GGADHM O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000823440187 607110740 /nfs/dbraw/zinc/11/07/40/607110740.db2.gz GYANSEPLGUJSKW-UHFFFAOYSA-N -1 3 389.293 3.384 20 0 GGADHM O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000823440187 607110743 /nfs/dbraw/zinc/11/07/43/607110743.db2.gz GYANSEPLGUJSKW-UHFFFAOYSA-N -1 3 389.293 3.384 20 0 GGADHM C[C@@H](CNc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820280272 607112344 /nfs/dbraw/zinc/11/23/44/607112344.db2.gz CGGAVRJZJIPJBW-ZDUSSCGKSA-N -1 3 382.472 3.045 20 0 GGADHM C[C@@H](CNc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820280272 607112345 /nfs/dbraw/zinc/11/23/45/607112345.db2.gz CGGAVRJZJIPJBW-ZDUSSCGKSA-N -1 3 382.472 3.045 20 0 GGADHM O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1sccc1-c1nnn[n-]1 ZINC000823440240 607112744 /nfs/dbraw/zinc/11/27/44/607112744.db2.gz JKVXGHAFJHZTJM-UHFFFAOYSA-N -1 3 395.322 3.445 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCCSc1ccccc1Cl ZINC000822659950 607113909 /nfs/dbraw/zinc/11/39/09/607113909.db2.gz SHDLRFMPACNRLS-UHFFFAOYSA-N -1 3 377.857 3.198 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCCSc1ccccc1Cl ZINC000822659950 607113910 /nfs/dbraw/zinc/11/39/10/607113910.db2.gz SHDLRFMPACNRLS-UHFFFAOYSA-N -1 3 377.857 3.198 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822419445 607116576 /nfs/dbraw/zinc/11/65/76/607116576.db2.gz RCQXBRVTRUNGGR-UHFFFAOYSA-N -1 3 390.378 3.128 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822419445 607116578 /nfs/dbraw/zinc/11/65/78/607116578.db2.gz RCQXBRVTRUNGGR-UHFFFAOYSA-N -1 3 390.378 3.128 20 0 GGADHM CCOc1ccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000821427717 607121811 /nfs/dbraw/zinc/12/18/11/607121811.db2.gz YNZOERCDBOVIOU-UHFFFAOYSA-N -1 3 393.856 3.028 20 0 GGADHM Fc1ccc(-c2noc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)n2)cc1F ZINC000822762192 607124047 /nfs/dbraw/zinc/12/40/47/607124047.db2.gz ZYJPDCPYQSYGAJ-UHFFFAOYSA-N -1 3 389.753 3.460 20 0 GGADHM Fc1ccc(-c2noc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)n2)cc1F ZINC000822762192 607124048 /nfs/dbraw/zinc/12/40/48/607124048.db2.gz ZYJPDCPYQSYGAJ-UHFFFAOYSA-N -1 3 389.753 3.460 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000823219034 607127809 /nfs/dbraw/zinc/12/78/09/607127809.db2.gz FPIRBRZJLMXIMW-UHFFFAOYSA-N -1 3 391.859 3.322 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000823219034 607127811 /nfs/dbraw/zinc/12/78/11/607127811.db2.gz FPIRBRZJLMXIMW-UHFFFAOYSA-N -1 3 391.859 3.322 20 0 GGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820299230 607128635 /nfs/dbraw/zinc/12/86/35/607128635.db2.gz FDRNKCJVEJXALV-SECBINFHSA-N -1 3 392.282 3.052 20 0 GGADHM C[C@H](Cc1ccccc1Br)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820299230 607128636 /nfs/dbraw/zinc/12/86/36/607128636.db2.gz FDRNKCJVEJXALV-SECBINFHSA-N -1 3 392.282 3.052 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820231028 607134008 /nfs/dbraw/zinc/13/40/08/607134008.db2.gz AAQXHGFCUUTQNU-CABCVRRESA-N -1 3 377.448 3.079 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820231028 607134010 /nfs/dbraw/zinc/13/40/10/607134010.db2.gz AAQXHGFCUUTQNU-CABCVRRESA-N -1 3 377.448 3.079 20 0 GGADHM C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000820637487 607134349 /nfs/dbraw/zinc/13/43/49/607134349.db2.gz XWUHHIJUHQSSIX-LJQANCHMSA-N -1 3 398.854 3.300 20 0 GGADHM C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000820637487 607134350 /nfs/dbraw/zinc/13/43/50/607134350.db2.gz XWUHHIJUHQSSIX-LJQANCHMSA-N -1 3 398.854 3.300 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820231161 607134433 /nfs/dbraw/zinc/13/44/33/607134433.db2.gz BNHMKOKVTPOSBT-LSDHHAIUSA-N -1 3 392.463 3.155 20 0 GGADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1C(F)(F)F ZINC000820536499 607136250 /nfs/dbraw/zinc/13/62/50/607136250.db2.gz VDQAMEGAQRVXLY-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1C(F)(F)F ZINC000820536499 607136252 /nfs/dbraw/zinc/13/62/52/607136252.db2.gz VDQAMEGAQRVXLY-SECBINFHSA-N -1 3 395.316 3.431 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)NC1CC=CC1 ZINC000823350707 607138545 /nfs/dbraw/zinc/13/85/45/607138545.db2.gz YBORPFOJJLWXHV-UHFFFAOYSA-N -1 3 394.410 3.425 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)NC1CC=CC1 ZINC000823350707 607138547 /nfs/dbraw/zinc/13/85/47/607138547.db2.gz YBORPFOJJLWXHV-UHFFFAOYSA-N -1 3 394.410 3.425 20 0 GGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000820571127 607138754 /nfs/dbraw/zinc/13/87/54/607138754.db2.gz WCMFNRDXEYHWST-AYJWMTRPSA-N -1 3 385.431 3.324 20 0 GGADHM C[C@H](c1ccccc1)n1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000820571127 607138756 /nfs/dbraw/zinc/13/87/56/607138756.db2.gz WCMFNRDXEYHWST-AYJWMTRPSA-N -1 3 385.431 3.324 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821483148 607139799 /nfs/dbraw/zinc/13/97/99/607139799.db2.gz YWNIFPVMRFXJJR-STQMWFEESA-N -1 3 383.427 3.213 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821483148 607139800 /nfs/dbraw/zinc/13/98/00/607139800.db2.gz YWNIFPVMRFXJJR-STQMWFEESA-N -1 3 383.427 3.213 20 0 GGADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1sccc1-c1nnn[n-]1 ZINC000821614892 607140505 /nfs/dbraw/zinc/14/05/05/607140505.db2.gz YSNOKSXSESBODI-UHFFFAOYSA-N -1 3 383.355 3.099 20 0 GGADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1sccc1-c1nn[n-]n1 ZINC000821614892 607140507 /nfs/dbraw/zinc/14/05/07/607140507.db2.gz YSNOKSXSESBODI-UHFFFAOYSA-N -1 3 383.355 3.099 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)/C=C\SCc1ccco1 ZINC000821699436 607142323 /nfs/dbraw/zinc/14/23/23/607142323.db2.gz PPAHAWJOFLXJIR-XQRVVYSFSA-N -1 3 392.824 3.474 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)/C=C\SCc1ccco1 ZINC000821699436 607142324 /nfs/dbraw/zinc/14/23/24/607142324.db2.gz PPAHAWJOFLXJIR-XQRVVYSFSA-N -1 3 392.824 3.474 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cc(F)c(F)cc1F ZINC000821104771 607145443 /nfs/dbraw/zinc/14/54/43/607145443.db2.gz PVPFSWSHLLSPEO-UHFFFAOYSA-N -1 3 389.381 3.265 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cc(F)c(F)cc1F ZINC000821104771 607145445 /nfs/dbraw/zinc/14/54/45/607145445.db2.gz PVPFSWSHLLSPEO-UHFFFAOYSA-N -1 3 389.381 3.265 20 0 GGADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000471031836 607146296 /nfs/dbraw/zinc/14/62/96/607146296.db2.gz OJCIUADRWUKPGL-UHFFFAOYSA-N -1 3 383.481 3.237 20 0 GGADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000471031836 607146297 /nfs/dbraw/zinc/14/62/97/607146297.db2.gz OJCIUADRWUKPGL-UHFFFAOYSA-N -1 3 383.481 3.237 20 0 GGADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000471408088 607146623 /nfs/dbraw/zinc/14/66/23/607146623.db2.gz YNFXHOSEPCIHGF-UHFFFAOYSA-N -1 3 383.481 3.237 20 0 GGADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000471408088 607146625 /nfs/dbraw/zinc/14/66/25/607146625.db2.gz YNFXHOSEPCIHGF-UHFFFAOYSA-N -1 3 383.481 3.237 20 0 GGADHM C[C@H](SCCOc1ccc(-c2nn[n-]n2)cc1)c1cn(-c2ccccc2)nn1 ZINC000820550526 607150359 /nfs/dbraw/zinc/15/03/59/607150359.db2.gz WQBQTIJFSUQAKR-AWEZNQCLSA-N -1 3 393.476 3.321 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000822220118 607150579 /nfs/dbraw/zinc/15/05/79/607150579.db2.gz DRDKLVWQBPEIAI-UHFFFAOYSA-N -1 3 393.447 3.123 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000822220118 607150580 /nfs/dbraw/zinc/15/05/80/607150580.db2.gz DRDKLVWQBPEIAI-UHFFFAOYSA-N -1 3 393.447 3.123 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)COc1ccccc1 ZINC000821699060 607151013 /nfs/dbraw/zinc/15/10/13/607151013.db2.gz AKKBGFWUXGLDCF-LLVKDONJSA-N -1 3 388.811 3.149 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)COc1ccccc1 ZINC000821699060 607151014 /nfs/dbraw/zinc/15/10/14/607151014.db2.gz AKKBGFWUXGLDCF-LLVKDONJSA-N -1 3 388.811 3.149 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H](OCC)C(C)C ZINC000821389588 607152533 /nfs/dbraw/zinc/15/25/33/607152533.db2.gz PHQBWHYRQJZKRS-ZDUSSCGKSA-N -1 3 382.848 3.275 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H](OCC)C(C)C ZINC000821389588 607152534 /nfs/dbraw/zinc/15/25/34/607152534.db2.gz PHQBWHYRQJZKRS-ZDUSSCGKSA-N -1 3 382.848 3.275 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)COc1ccccc1 ZINC000820295069 607153341 /nfs/dbraw/zinc/15/33/41/607153341.db2.gz XOZCPKMMAKDCCB-INIZCTEOSA-N -1 3 379.464 3.319 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)COc1ccccc1 ZINC000820295069 607153343 /nfs/dbraw/zinc/15/33/43/607153343.db2.gz XOZCPKMMAKDCCB-INIZCTEOSA-N -1 3 379.464 3.319 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)COc1ccccc1 ZINC000821100190 607153725 /nfs/dbraw/zinc/15/37/25/607153725.db2.gz VKUWWKLTWFTZQY-MRXNPFEDSA-N -1 3 379.464 3.320 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)COc1ccccc1 ZINC000821100190 607153726 /nfs/dbraw/zinc/15/37/26/607153726.db2.gz VKUWWKLTWFTZQY-MRXNPFEDSA-N -1 3 379.464 3.320 20 0 GGADHM CCO[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)C ZINC000821350836 607154996 /nfs/dbraw/zinc/15/49/96/607154996.db2.gz FCUIUGGDBRKCRP-KRWDZBQOSA-N -1 3 396.451 3.444 20 0 GGADHM CCO[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)C ZINC000821350836 607154998 /nfs/dbraw/zinc/15/49/98/607154998.db2.gz FCUIUGGDBRKCRP-KRWDZBQOSA-N -1 3 396.451 3.444 20 0 GGADHM CC(=O)Oc1ccc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)cc1 ZINC000819827557 607156484 /nfs/dbraw/zinc/15/64/84/607156484.db2.gz SHNSTKDIXSBCGB-UHFFFAOYSA-N -1 3 381.461 3.276 20 0 GGADHM CC(=O)Oc1ccc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)cc1 ZINC000819827557 607156487 /nfs/dbraw/zinc/15/64/87/607156487.db2.gz SHNSTKDIXSBCGB-UHFFFAOYSA-N -1 3 381.461 3.276 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)c1cc(C)c(F)cc1Cl ZINC000821701492 607157123 /nfs/dbraw/zinc/15/71/23/607157123.db2.gz QMBMSUGFYQXAOP-UHFFFAOYSA-N -1 3 376.775 3.238 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)c1cc(C)c(F)cc1Cl ZINC000821701492 607157124 /nfs/dbraw/zinc/15/71/24/607157124.db2.gz QMBMSUGFYQXAOP-UHFFFAOYSA-N -1 3 376.775 3.238 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000822192799 607157176 /nfs/dbraw/zinc/15/71/76/607157176.db2.gz BAYDUMSXRPQYOR-CYBMUJFWSA-N -1 3 378.465 3.313 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000822192799 607157177 /nfs/dbraw/zinc/15/71/77/607157177.db2.gz BAYDUMSXRPQYOR-CYBMUJFWSA-N -1 3 378.465 3.313 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccn(-c2ccccc2Cl)n1 ZINC000822977917 607166888 /nfs/dbraw/zinc/16/68/88/607166888.db2.gz CCNSKZKAMVKTQX-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccn(-c2ccccc2Cl)n1 ZINC000822977917 607166890 /nfs/dbraw/zinc/16/68/90/607166890.db2.gz CCNSKZKAMVKTQX-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823146058 607167807 /nfs/dbraw/zinc/16/78/07/607167807.db2.gz UGVAJAYFTYQCST-JRSKDTKFSA-N -1 3 390.447 3.363 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823146058 607167809 /nfs/dbraw/zinc/16/78/09/607167809.db2.gz UGVAJAYFTYQCST-JRSKDTKFSA-N -1 3 390.447 3.363 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC(F)(F)C1 ZINC000822954935 607168892 /nfs/dbraw/zinc/16/88/92/607168892.db2.gz FZWJJEKAKMHZJW-AWEZNQCLSA-N -1 3 379.411 3.110 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC(F)(F)C1 ZINC000822954935 607168893 /nfs/dbraw/zinc/16/88/93/607168893.db2.gz FZWJJEKAKMHZJW-AWEZNQCLSA-N -1 3 379.411 3.110 20 0 GGADHM C[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCCC2 ZINC000820327601 607171111 /nfs/dbraw/zinc/17/11/11/607171111.db2.gz HRENPLSNGWDKME-ZDUSSCGKSA-N -1 3 395.438 3.141 20 0 GGADHM C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCCC2 ZINC000820327601 607171112 /nfs/dbraw/zinc/17/11/12/607171112.db2.gz HRENPLSNGWDKME-ZDUSSCGKSA-N -1 3 395.438 3.141 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(Cl)c1Cl ZINC000823040961 607171614 /nfs/dbraw/zinc/17/16/14/607171614.db2.gz TXRFDNPQNASVMY-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(Cl)c1Cl ZINC000823040961 607171615 /nfs/dbraw/zinc/17/16/15/607171615.db2.gz TXRFDNPQNASVMY-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)NCC1(c2ccccc2)CCCC1 ZINC000823040488 607171804 /nfs/dbraw/zinc/17/18/04/607171804.db2.gz LRHRHFBUMVEJDU-UHFFFAOYSA-N -1 3 395.438 3.013 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)NCC1(c2ccccc2)CCCC1 ZINC000823040488 607171805 /nfs/dbraw/zinc/17/18/05/607171805.db2.gz LRHRHFBUMVEJDU-UHFFFAOYSA-N -1 3 395.438 3.013 20 0 GGADHM O=C1[C@@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000823514460 607174176 /nfs/dbraw/zinc/17/41/76/607174176.db2.gz ZSGLORPHKQKERV-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM O=C1[C@@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000823514460 607174177 /nfs/dbraw/zinc/17/41/77/607174177.db2.gz ZSGLORPHKQKERV-HNNXBMFYSA-N -1 3 388.353 3.103 20 0 GGADHM FC(F)(F)c1cc(N[C@H]2CCO[C@@]3(CCSC3)C2)ccc1-c1nnn[n-]1 ZINC000822723675 607176526 /nfs/dbraw/zinc/17/65/26/607176526.db2.gz KIRGSSUJCVHVSF-NHYWBVRUSA-N -1 3 385.415 3.352 20 0 GGADHM FC(F)(F)c1cc(N[C@H]2CCO[C@@]3(CCSC3)C2)ccc1-c1nn[n-]n1 ZINC000822723675 607176527 /nfs/dbraw/zinc/17/65/27/607176527.db2.gz KIRGSSUJCVHVSF-NHYWBVRUSA-N -1 3 385.415 3.352 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCCC[C@@H]1CCO ZINC000823493490 607185745 /nfs/dbraw/zinc/18/57/45/607185745.db2.gz OHTGAFGWOSIAEB-QGZVFWFLSA-N -1 3 393.447 3.036 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCC[C@@H]1CCO ZINC000823493490 607185746 /nfs/dbraw/zinc/18/57/46/607185746.db2.gz OHTGAFGWOSIAEB-QGZVFWFLSA-N -1 3 393.447 3.036 20 0 GGADHM CC[C@H](C[C@H](C)CO)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820882551 607186916 /nfs/dbraw/zinc/18/69/16/607186916.db2.gz SYNDAWLHXFMZDA-WMLDXEAASA-N -1 3 395.463 3.186 20 0 GGADHM CC[C@H](C[C@H](C)CO)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820882551 607186917 /nfs/dbraw/zinc/18/69/17/607186917.db2.gz SYNDAWLHXFMZDA-WMLDXEAASA-N -1 3 395.463 3.186 20 0 GGADHM CCCC[C@@H](CC)CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821041049 607187899 /nfs/dbraw/zinc/18/78/99/607187899.db2.gz YHMIWMHTTPMSMN-CQSZACIVSA-N -1 3 381.484 3.480 20 0 GGADHM CCCC[C@@H](CC)CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821041049 607187900 /nfs/dbraw/zinc/18/79/00/607187900.db2.gz YHMIWMHTTPMSMN-CQSZACIVSA-N -1 3 381.484 3.480 20 0 GGADHM CC[C@H](C)N(OC)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820875931 607189034 /nfs/dbraw/zinc/18/90/34/607189034.db2.gz IPXBOYZNDCSFRS-AWEZNQCLSA-N -1 3 381.436 3.248 20 0 GGADHM CC[C@H](C)N(OC)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820875931 607189035 /nfs/dbraw/zinc/18/90/35/607189035.db2.gz IPXBOYZNDCSFRS-AWEZNQCLSA-N -1 3 381.436 3.248 20 0 GGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820665748 607190560 /nfs/dbraw/zinc/19/05/60/607190560.db2.gz GOVKZNOWACFXIR-YGRLFVJLSA-N -1 3 396.838 3.367 20 0 GGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820665748 607190561 /nfs/dbraw/zinc/19/05/61/607190561.db2.gz GOVKZNOWACFXIR-YGRLFVJLSA-N -1 3 396.838 3.367 20 0 GGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820665741 607190824 /nfs/dbraw/zinc/19/08/24/607190824.db2.gz GOVKZNOWACFXIR-HZMBPMFUSA-N -1 3 396.838 3.367 20 0 GGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820665741 607190825 /nfs/dbraw/zinc/19/08/25/607190825.db2.gz GOVKZNOWACFXIR-HZMBPMFUSA-N -1 3 396.838 3.367 20 0 GGADHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822954725 607190902 /nfs/dbraw/zinc/19/09/02/607190902.db2.gz AOAXJHCJINVWCF-CYBMUJFWSA-N -1 3 396.838 3.050 20 0 GGADHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822954725 607190903 /nfs/dbraw/zinc/19/09/03/607190903.db2.gz AOAXJHCJINVWCF-CYBMUJFWSA-N -1 3 396.838 3.050 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2ccc(F)c(F)c2C1 ZINC000823318659 607196053 /nfs/dbraw/zinc/19/60/53/607196053.db2.gz GOYVUTWHLLKPRV-UHFFFAOYSA-N -1 3 390.781 3.389 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccc(F)c(F)c2C1 ZINC000823318659 607196054 /nfs/dbraw/zinc/19/60/54/607196054.db2.gz GOYVUTWHLLKPRV-UHFFFAOYSA-N -1 3 390.781 3.389 20 0 GGADHM Cn1cc([C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C(C)(C)C)cn1 ZINC000822669995 607196628 /nfs/dbraw/zinc/19/66/28/607196628.db2.gz XSPVDJNFJQVWHT-AWEZNQCLSA-N -1 3 388.863 3.163 20 0 GGADHM Cn1cc([C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C(C)(C)C)cn1 ZINC000822669995 607196629 /nfs/dbraw/zinc/19/66/29/607196629.db2.gz XSPVDJNFJQVWHT-AWEZNQCLSA-N -1 3 388.863 3.163 20 0 GGADHM COCCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821690559 607198211 /nfs/dbraw/zinc/19/82/11/607198211.db2.gz PZEILFKTFCIQMO-UHFFFAOYSA-N -1 3 386.843 3.201 20 0 GGADHM COCCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821690559 607198212 /nfs/dbraw/zinc/19/82/12/607198212.db2.gz PZEILFKTFCIQMO-UHFFFAOYSA-N -1 3 386.843 3.201 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Oc1cccc(F)c1 ZINC000820268370 607198689 /nfs/dbraw/zinc/19/86/89/607198689.db2.gz ANXGFXIOHNEJPI-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Oc1cccc(F)c1 ZINC000820268370 607198690 /nfs/dbraw/zinc/19/86/90/607198690.db2.gz ANXGFXIOHNEJPI-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Oc1cccc(F)c1 ZINC000820268371 607198784 /nfs/dbraw/zinc/19/87/84/607198784.db2.gz ANXGFXIOHNEJPI-SNVBAGLBSA-N -1 3 390.806 3.248 20 0 GGADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Oc1cccc(F)c1 ZINC000820268371 607198785 /nfs/dbraw/zinc/19/87/85/607198785.db2.gz ANXGFXIOHNEJPI-SNVBAGLBSA-N -1 3 390.806 3.248 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1CCN(c2ccccc2)CC1 ZINC000823319619 607198897 /nfs/dbraw/zinc/19/88/97/607198897.db2.gz WBCJZQXCOGJDNG-UHFFFAOYSA-N -1 3 397.870 3.311 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1CCN(c2ccccc2)CC1 ZINC000823319619 607198898 /nfs/dbraw/zinc/19/88/98/607198898.db2.gz WBCJZQXCOGJDNG-UHFFFAOYSA-N -1 3 397.870 3.311 20 0 GGADHM COCCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000821686578 607201027 /nfs/dbraw/zinc/20/10/27/607201027.db2.gz WXMRVNPVYWFVSZ-UHFFFAOYSA-N -1 3 378.864 3.239 20 0 GGADHM COCCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000821686578 607201028 /nfs/dbraw/zinc/20/10/28/607201028.db2.gz WXMRVNPVYWFVSZ-UHFFFAOYSA-N -1 3 378.864 3.239 20 0 GGADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000820854502 607201610 /nfs/dbraw/zinc/20/16/10/607201610.db2.gz WJBLXXHLPCRFON-HNNXBMFYSA-N -1 3 377.861 3.424 20 0 GGADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000820854502 607201611 /nfs/dbraw/zinc/20/16/11/607201611.db2.gz WJBLXXHLPCRFON-HNNXBMFYSA-N -1 3 377.861 3.424 20 0 GGADHM CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000821627080 607202502 /nfs/dbraw/zinc/20/25/02/607202502.db2.gz MMHWRJHDLJUHCW-QGZVFWFLSA-N -1 3 397.870 3.041 20 0 GGADHM Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822263319 607203820 /nfs/dbraw/zinc/20/38/20/607203820.db2.gz LWHWFIGNZQNHIY-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822263319 607203821 /nfs/dbraw/zinc/20/38/21/607203821.db2.gz LWHWFIGNZQNHIY-GFCCVEGCSA-N -1 3 386.843 3.418 20 0 GGADHM Cc1ccccc1OCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822366944 607203823 /nfs/dbraw/zinc/20/38/23/607203823.db2.gz XENUSSTYXXKZAO-UHFFFAOYSA-N -1 3 386.843 3.371 20 0 GGADHM Cc1ccccc1OCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822366944 607203824 /nfs/dbraw/zinc/20/38/24/607203824.db2.gz XENUSSTYXXKZAO-UHFFFAOYSA-N -1 3 386.843 3.371 20 0 GGADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823140588 607232209 /nfs/dbraw/zinc/23/22/09/607232209.db2.gz XDUMWYNXIXKYQA-OAHLLOKOSA-N -1 3 380.795 3.028 20 0 GGADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823140588 607232210 /nfs/dbraw/zinc/23/22/10/607232210.db2.gz XDUMWYNXIXKYQA-OAHLLOKOSA-N -1 3 380.795 3.028 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820020637 607233959 /nfs/dbraw/zinc/23/39/59/607233959.db2.gz IZZMBSPIONPNQY-HNNXBMFYSA-N -1 3 388.834 3.051 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820020637 607233960 /nfs/dbraw/zinc/23/39/60/607233960.db2.gz IZZMBSPIONPNQY-HNNXBMFYSA-N -1 3 388.834 3.051 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1nc(C)sc1C ZINC000821389106 607235518 /nfs/dbraw/zinc/23/55/18/607235518.db2.gz GCURLMGCNZAECW-UHFFFAOYSA-N -1 3 393.856 3.140 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1nc(C)sc1C ZINC000821389106 607235519 /nfs/dbraw/zinc/23/55/19/607235519.db2.gz GCURLMGCNZAECW-UHFFFAOYSA-N -1 3 393.856 3.140 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(F)cc1C(F)(F)F ZINC000821699493 607235712 /nfs/dbraw/zinc/23/57/12/607235712.db2.gz SEORKHXHJDFJQS-UHFFFAOYSA-N -1 3 382.273 3.252 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(F)cc1C(F)(F)F ZINC000821699493 607235713 /nfs/dbraw/zinc/23/57/13/607235713.db2.gz SEORKHXHJDFJQS-UHFFFAOYSA-N -1 3 382.273 3.252 20 0 GGADHM Cc1nc(CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c(C)s1 ZINC000822437117 607235746 /nfs/dbraw/zinc/23/57/46/607235746.db2.gz WEKXYTOUFMQPFG-UHFFFAOYSA-N -1 3 397.489 3.245 20 0 GGADHM Cc1nc(CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c(C)s1 ZINC000822437117 607235747 /nfs/dbraw/zinc/23/57/47/607235747.db2.gz WEKXYTOUFMQPFG-UHFFFAOYSA-N -1 3 397.489 3.245 20 0 GGADHM Cc1ccc2c(c1)CCCN2C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822274674 607235827 /nfs/dbraw/zinc/23/58/27/607235827.db2.gz FQVMJYJHTLFYKR-UHFFFAOYSA-N -1 3 377.448 3.312 20 0 GGADHM Cc1ccc2c(c1)CCCN2C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822274674 607235828 /nfs/dbraw/zinc/23/58/28/607235828.db2.gz FQVMJYJHTLFYKR-UHFFFAOYSA-N -1 3 377.448 3.312 20 0 GGADHM Cc1nc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c(C)s1 ZINC000822435816 607237491 /nfs/dbraw/zinc/23/74/91/607237491.db2.gz BPGFEMKMLXDCCC-UHFFFAOYSA-N -1 3 394.460 3.309 20 0 GGADHM Cc1nc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c(C)s1 ZINC000822435816 607237492 /nfs/dbraw/zinc/23/74/92/607237492.db2.gz BPGFEMKMLXDCCC-UHFFFAOYSA-N -1 3 394.460 3.309 20 0 GGADHM COCCN(C(=O)c1ccc(-c2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688977 607238965 /nfs/dbraw/zinc/23/89/65/607238965.db2.gz GHAXZWCPWWZGMQ-UHFFFAOYSA-N -1 3 395.444 3.481 20 0 GGADHM COCCN(C(=O)c1ccc(-c2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688977 607238966 /nfs/dbraw/zinc/23/89/66/607238966.db2.gz GHAXZWCPWWZGMQ-UHFFFAOYSA-N -1 3 395.444 3.481 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822418893 607239274 /nfs/dbraw/zinc/23/92/74/607239274.db2.gz IPCXIRAXYUESST-UHFFFAOYSA-N -1 3 375.367 3.024 20 0 GGADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822418893 607239275 /nfs/dbraw/zinc/23/92/75/607239275.db2.gz IPCXIRAXYUESST-UHFFFAOYSA-N -1 3 375.367 3.024 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(c1ccccn1)C1CCCC1 ZINC000823061058 607240843 /nfs/dbraw/zinc/24/08/43/607240843.db2.gz UKLGUUSJWPIOMH-UHFFFAOYSA-N -1 3 394.504 3.471 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(c1ccccn1)C1CCCC1 ZINC000823061058 607240844 /nfs/dbraw/zinc/24/08/44/607240844.db2.gz UKLGUUSJWPIOMH-UHFFFAOYSA-N -1 3 394.504 3.471 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822501105 607244697 /nfs/dbraw/zinc/24/46/97/607244697.db2.gz WAHWRDMEERDPAL-UHFFFAOYSA-N -1 3 392.394 3.087 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822501105 607244698 /nfs/dbraw/zinc/24/46/98/607244698.db2.gz WAHWRDMEERDPAL-UHFFFAOYSA-N -1 3 392.394 3.087 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cc12 ZINC000820206034 607245812 /nfs/dbraw/zinc/24/58/12/607245812.db2.gz AQXWMAFYROWFGJ-UHFFFAOYSA-N -1 3 386.412 3.297 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cc12 ZINC000820206034 607245813 /nfs/dbraw/zinc/24/58/13/607245813.db2.gz AQXWMAFYROWFGJ-UHFFFAOYSA-N -1 3 386.412 3.297 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233532 607248849 /nfs/dbraw/zinc/24/88/49/607248849.db2.gz QXVKLLJBPARHDM-QAPCUYQASA-N -1 3 382.395 3.388 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233532 607248850 /nfs/dbraw/zinc/24/88/50/607248850.db2.gz QXVKLLJBPARHDM-QAPCUYQASA-N -1 3 382.395 3.388 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822553088 607248929 /nfs/dbraw/zinc/24/89/29/607248929.db2.gz IKEWREJLVVYOFD-UHFFFAOYSA-N -1 3 383.314 3.328 20 0 GGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822553088 607248930 /nfs/dbraw/zinc/24/89/30/607248930.db2.gz IKEWREJLVVYOFD-UHFFFAOYSA-N -1 3 383.314 3.328 20 0 GGADHM Cc1ncc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000826330216 607774046 /nfs/dbraw/zinc/77/40/46/607774046.db2.gz KEOHFGJQICUWFE-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM CCc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000825711882 607776341 /nfs/dbraw/zinc/77/63/41/607776341.db2.gz IAKRRSLCPUONPD-UHFFFAOYSA-N -1 3 396.426 3.316 20 0 GGADHM CCc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000825711882 607776342 /nfs/dbraw/zinc/77/63/42/607776342.db2.gz IAKRRSLCPUONPD-UHFFFAOYSA-N -1 3 396.426 3.316 20 0 GGADHM CN(C(=O)c1cc(OCc2ccccc2)ccn1)c1ccccc1-c1nnn[n-]1 ZINC000825825923 607786581 /nfs/dbraw/zinc/78/65/81/607786581.db2.gz NZCCFBZPTNRFOV-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM CN(C(=O)c1cc(OCc2ccccc2)ccn1)c1ccccc1-c1nn[n-]n1 ZINC000825825923 607786582 /nfs/dbraw/zinc/78/65/82/607786582.db2.gz NZCCFBZPTNRFOV-UHFFFAOYSA-N -1 3 386.415 3.117 20 0 GGADHM CC(C)c1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000824343235 607788714 /nfs/dbraw/zinc/78/87/14/607788714.db2.gz ZVECEFKYMZQHEO-UHFFFAOYSA-N -1 3 387.447 3.452 20 0 GGADHM CC(C)c1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000824343235 607788715 /nfs/dbraw/zinc/78/87/15/607788715.db2.gz ZVECEFKYMZQHEO-UHFFFAOYSA-N -1 3 387.447 3.452 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)cc2F)n1 ZINC000826265407 607791181 /nfs/dbraw/zinc/79/11/81/607791181.db2.gz XVQYQEUYQDYJHK-UHFFFAOYSA-N -1 3 391.410 3.085 20 0 GGADHM Cc1cc(C)n(-c2ccc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)cc2F)n1 ZINC000826265407 607791182 /nfs/dbraw/zinc/79/11/82/607791182.db2.gz XVQYQEUYQDYJHK-UHFFFAOYSA-N -1 3 391.410 3.085 20 0 GGADHM O=C(Cc1ccc(Br)c(F)c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826422185 607791791 /nfs/dbraw/zinc/79/17/91/607791791.db2.gz PHAILHOLKVSTOV-UHFFFAOYSA-N -1 3 395.163 3.056 20 0 GGADHM O=C(Cc1ccc(Br)c(F)c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826422185 607791792 /nfs/dbraw/zinc/79/17/92/607791792.db2.gz PHAILHOLKVSTOV-UHFFFAOYSA-N -1 3 395.163 3.056 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CC1CCCCC1)c1ccccn1 ZINC000826422931 607791808 /nfs/dbraw/zinc/79/18/08/607791808.db2.gz RHXXSFOLXOUJKN-UHFFFAOYSA-N -1 3 376.464 3.418 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CC1CCCCC1)c1ccccn1 ZINC000826422931 607791809 /nfs/dbraw/zinc/79/18/09/607791809.db2.gz RHXXSFOLXOUJKN-UHFFFAOYSA-N -1 3 376.464 3.418 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826289058 607793213 /nfs/dbraw/zinc/79/32/13/607793213.db2.gz IRERWXORJOQJCB-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826289058 607793214 /nfs/dbraw/zinc/79/32/14/607793214.db2.gz IRERWXORJOQJCB-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM CCN(C(=O)c1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385518 607798294 /nfs/dbraw/zinc/79/82/94/607798294.db2.gz JCNKMPVRSVHKCZ-UHFFFAOYSA-N -1 3 391.479 3.165 20 0 GGADHM CCN(C(=O)c1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385518 607798295 /nfs/dbraw/zinc/79/82/95/607798295.db2.gz JCNKMPVRSVHKCZ-UHFFFAOYSA-N -1 3 391.479 3.165 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC000826422123 607802482 /nfs/dbraw/zinc/80/24/82/607802482.db2.gz MUNNDIDBCVAPBC-HXUWFJFHSA-N -1 3 390.443 3.429 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC000826422123 607802483 /nfs/dbraw/zinc/80/24/83/607802483.db2.gz MUNNDIDBCVAPBC-HXUWFJFHSA-N -1 3 390.443 3.429 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826278095 607803306 /nfs/dbraw/zinc/80/33/06/607803306.db2.gz QZYGJAWXSZHOOB-HNAYVOBHSA-N -1 3 392.463 3.465 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826278095 607803307 /nfs/dbraw/zinc/80/33/07/607803307.db2.gz QZYGJAWXSZHOOB-HNAYVOBHSA-N -1 3 392.463 3.465 20 0 GGADHM O=C(NCCC1=CCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826436041 607803389 /nfs/dbraw/zinc/80/33/89/607803389.db2.gz GBTTWJGKEKHMGA-UHFFFAOYSA-N -1 3 376.420 3.284 20 0 GGADHM O=C(NCCC1=CCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826436041 607803390 /nfs/dbraw/zinc/80/33/90/607803390.db2.gz GBTTWJGKEKHMGA-UHFFFAOYSA-N -1 3 376.420 3.284 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826453876 607804360 /nfs/dbraw/zinc/80/43/60/607804360.db2.gz CGZXPHXDFCWIRM-ACJLOTCBSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826453876 607804361 /nfs/dbraw/zinc/80/43/61/607804361.db2.gz CGZXPHXDFCWIRM-ACJLOTCBSA-N -1 3 396.426 3.295 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826289368 607805041 /nfs/dbraw/zinc/80/50/41/607805041.db2.gz XNUGUSXTJBYMFG-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826289368 607805042 /nfs/dbraw/zinc/80/50/42/607805042.db2.gz XNUGUSXTJBYMFG-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824010438 607806628 /nfs/dbraw/zinc/80/66/28/607806628.db2.gz NKQWHFIZUIJIKZ-LLVKDONJSA-N -1 3 380.452 3.320 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824010438 607806629 /nfs/dbraw/zinc/80/66/29/607806629.db2.gz NKQWHFIZUIJIKZ-LLVKDONJSA-N -1 3 380.452 3.320 20 0 GGADHM O=C(c1cccc(COc2ccccc2-c2nnn[n-]2)c1)N1CC2(CC(F)C2)C1 ZINC000826473497 607807693 /nfs/dbraw/zinc/80/76/93/607807693.db2.gz AIUAHRSFVMQZBD-UHFFFAOYSA-N -1 3 393.422 3.020 20 0 GGADHM O=C(c1cccc(COc2ccccc2-c2nn[n-]n2)c1)N1CC2(CC(F)C2)C1 ZINC000826473497 607807694 /nfs/dbraw/zinc/80/76/94/607807694.db2.gz AIUAHRSFVMQZBD-UHFFFAOYSA-N -1 3 393.422 3.020 20 0 GGADHM CCC(CC)(CO)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825089531 607808756 /nfs/dbraw/zinc/80/87/56/607808756.db2.gz IEQCSXJZKUOVBM-UHFFFAOYSA-N -1 3 395.463 3.188 20 0 GGADHM CCC(CC)(CO)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825089531 607808757 /nfs/dbraw/zinc/80/87/57/607808757.db2.gz IEQCSXJZKUOVBM-UHFFFAOYSA-N -1 3 395.463 3.188 20 0 GGADHM c1ccc2c(c1)CC[C@]21CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000826523701 607811613 /nfs/dbraw/zinc/81/16/13/607811613.db2.gz UNKVQPNGEYLCKG-QFIPXVFZSA-N -1 3 384.443 3.093 20 0 GGADHM c1ccc2c(c1)CC[C@]21CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000826523701 607811614 /nfs/dbraw/zinc/81/16/14/607811614.db2.gz UNKVQPNGEYLCKG-QFIPXVFZSA-N -1 3 384.443 3.093 20 0 GGADHM C[C@H](SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824752979 607813624 /nfs/dbraw/zinc/81/36/24/607813624.db2.gz AVQGBLUDOKTZEA-LBPRGKRZSA-N -1 3 392.481 3.274 20 0 GGADHM C[C@H](SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824752979 607813625 /nfs/dbraw/zinc/81/36/25/607813625.db2.gz AVQGBLUDOKTZEA-LBPRGKRZSA-N -1 3 392.481 3.274 20 0 GGADHM O=S(=O)(CCSCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826485628 607814259 /nfs/dbraw/zinc/81/42/59/607814259.db2.gz YDGNVFDQQSMAQN-UHFFFAOYSA-N -1 3 388.518 3.006 20 0 GGADHM O=S(=O)(CCSCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826485628 607814260 /nfs/dbraw/zinc/81/42/60/607814260.db2.gz YDGNVFDQQSMAQN-UHFFFAOYSA-N -1 3 388.518 3.006 20 0 GGADHM O=S(=O)(CCSc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826485346 607815065 /nfs/dbraw/zinc/81/50/65/607815065.db2.gz NBRSCAZGXJOBSP-UHFFFAOYSA-N -1 3 380.882 3.086 20 0 GGADHM O=S(=O)(CCSc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826485346 607815066 /nfs/dbraw/zinc/81/50/66/607815066.db2.gz NBRSCAZGXJOBSP-UHFFFAOYSA-N -1 3 380.882 3.086 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826337926 607817920 /nfs/dbraw/zinc/81/79/20/607817920.db2.gz FUCXVTLHGQWVEE-QMMMGPOBSA-N -1 3 392.366 3.205 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826337926 607817921 /nfs/dbraw/zinc/81/79/21/607817921.db2.gz FUCXVTLHGQWVEE-QMMMGPOBSA-N -1 3 392.366 3.205 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824198958 607823030 /nfs/dbraw/zinc/82/30/30/607823030.db2.gz FNLKQBSJRKTAPQ-LJQANCHMSA-N -1 3 393.491 3.307 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824198958 607823031 /nfs/dbraw/zinc/82/30/31/607823031.db2.gz FNLKQBSJRKTAPQ-LJQANCHMSA-N -1 3 393.491 3.307 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000825012358 607830271 /nfs/dbraw/zinc/83/02/71/607830271.db2.gz HTBVIEXRXSUUJY-KGLIPLIRSA-N -1 3 395.488 3.409 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000825012359 607830473 /nfs/dbraw/zinc/83/04/73/607830473.db2.gz HTBVIEXRXSUUJY-UONOGXRCSA-N -1 3 395.488 3.409 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000825012643 607830512 /nfs/dbraw/zinc/83/05/12/607830512.db2.gz LAEKHRHBBAZBDZ-UONOGXRCSA-N -1 3 395.488 3.409 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000825012643 607830513 /nfs/dbraw/zinc/83/05/13/607830513.db2.gz LAEKHRHBBAZBDZ-UONOGXRCSA-N -1 3 395.488 3.409 20 0 GGADHM COc1ccc(CCNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826192288 607832793 /nfs/dbraw/zinc/83/27/93/607832793.db2.gz HRBYSMHATJPMGH-UHFFFAOYSA-N -1 3 392.246 3.155 20 0 GGADHM COc1ccc(CCNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826192288 607832794 /nfs/dbraw/zinc/83/27/94/607832794.db2.gz HRBYSMHATJPMGH-UHFFFAOYSA-N -1 3 392.246 3.155 20 0 GGADHM COc1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc(OC)c1 ZINC000826180677 607832897 /nfs/dbraw/zinc/83/28/97/607832897.db2.gz RYYLAECCRXNDII-UHFFFAOYSA-N -1 3 394.218 3.443 20 0 GGADHM COc1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc(OC)c1 ZINC000826180677 607832898 /nfs/dbraw/zinc/83/28/98/607832898.db2.gz RYYLAECCRXNDII-UHFFFAOYSA-N -1 3 394.218 3.443 20 0 GGADHM CN(C)c1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825879748 607833380 /nfs/dbraw/zinc/83/33/80/607833380.db2.gz QURQZWCISOBCNF-UHFFFAOYSA-N -1 3 377.235 3.492 20 0 GGADHM CN(C)c1ccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825879748 607833381 /nfs/dbraw/zinc/83/33/81/607833381.db2.gz QURQZWCISOBCNF-UHFFFAOYSA-N -1 3 377.235 3.492 20 0 GGADHM C[C@@H]1COCCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000825006226 607834915 /nfs/dbraw/zinc/83/49/15/607834915.db2.gz GRWXQGORAKUDGN-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM C[C@@H]1COCCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000825006226 607834916 /nfs/dbraw/zinc/83/49/16/607834916.db2.gz GRWXQGORAKUDGN-AWEZNQCLSA-N -1 3 394.435 3.159 20 0 GGADHM CCOC[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825589237 607835081 /nfs/dbraw/zinc/83/50/81/607835081.db2.gz CJWPVFXTBUCKCW-JTQLQIEISA-N -1 3 384.267 3.062 20 0 GGADHM CCOC[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825589237 607835082 /nfs/dbraw/zinc/83/50/82/607835082.db2.gz CJWPVFXTBUCKCW-JTQLQIEISA-N -1 3 384.267 3.062 20 0 GGADHM COCC[C@H](C)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826154606 607837666 /nfs/dbraw/zinc/83/76/66/607837666.db2.gz SYNHBMSXTZIBGP-AWEZNQCLSA-N -1 3 382.420 3.028 20 0 GGADHM COCC[C@H](C)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826154606 607837667 /nfs/dbraw/zinc/83/76/67/607837667.db2.gz SYNHBMSXTZIBGP-AWEZNQCLSA-N -1 3 382.420 3.028 20 0 GGADHM COCC[C@@H](C)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826154866 607837925 /nfs/dbraw/zinc/83/79/25/607837925.db2.gz ZHEIYYOXCFNWGZ-CQSZACIVSA-N -1 3 382.420 3.028 20 0 GGADHM O=C(Nc1ccccc1)C1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826457304 607839935 /nfs/dbraw/zinc/83/99/35/607839935.db2.gz VOWCZNJCHZRANC-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM O=C(Nc1ccccc1)C1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826457304 607839936 /nfs/dbraw/zinc/83/99/36/607839936.db2.gz VOWCZNJCHZRANC-UHFFFAOYSA-N -1 3 399.458 3.270 20 0 GGADHM COc1cc(OC)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(OC)c1 ZINC000826181089 607840629 /nfs/dbraw/zinc/84/06/29/607840629.db2.gz KLQDTOLMNJWZNG-UHFFFAOYSA-N -1 3 392.419 3.053 20 0 GGADHM COc1cc(OC)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(OC)c1 ZINC000826181089 607840630 /nfs/dbraw/zinc/84/06/30/607840630.db2.gz KLQDTOLMNJWZNG-UHFFFAOYSA-N -1 3 392.419 3.053 20 0 GGADHM Cc1csc([C@H]2CN(c3cc(-c4nnn[n-]4)ccc3C(F)(F)F)CCO2)n1 ZINC000826320885 607841372 /nfs/dbraw/zinc/84/13/72/607841372.db2.gz IVIFORWUBOEMTR-CYBMUJFWSA-N -1 3 396.398 3.228 20 0 GGADHM Cc1csc([C@H]2CN(c3cc(-c4nn[n-]n4)ccc3C(F)(F)F)CCO2)n1 ZINC000826320885 607841373 /nfs/dbraw/zinc/84/13/73/607841373.db2.gz IVIFORWUBOEMTR-CYBMUJFWSA-N -1 3 396.398 3.228 20 0 GGADHM Cn1cc(C2CCN(c3cc(-c4nnn[n-]4)ccc3C(F)(F)F)CC2)cn1 ZINC000826359651 607841601 /nfs/dbraw/zinc/84/16/01/607841601.db2.gz MTZOKWSQIKYNDF-UHFFFAOYSA-N -1 3 377.374 3.003 20 0 GGADHM Cn1cc(C2CCN(c3cc(-c4nn[n-]n4)ccc3C(F)(F)F)CC2)cn1 ZINC000826359651 607841602 /nfs/dbraw/zinc/84/16/02/607841602.db2.gz MTZOKWSQIKYNDF-UHFFFAOYSA-N -1 3 377.374 3.003 20 0 GGADHM O[C@@H](COCc1ccccc1F)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826504253 607843183 /nfs/dbraw/zinc/84/31/83/607843183.db2.gz QXMYWIGOSRIPDY-ZDUSSCGKSA-N -1 3 394.859 3.329 20 0 GGADHM O[C@@H](COCc1ccccc1F)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826504253 607843184 /nfs/dbraw/zinc/84/31/84/607843184.db2.gz QXMYWIGOSRIPDY-ZDUSSCGKSA-N -1 3 394.859 3.329 20 0 GGADHM S=C(Nc1nc2ccccc2n1C1CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000826512306 607843369 /nfs/dbraw/zinc/84/33/69/607843369.db2.gz VZRZRSXEIACLHP-UHFFFAOYSA-N -1 3 376.449 3.360 20 0 GGADHM S=C(Nc1nc2ccccc2n1C1CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000826512306 607843370 /nfs/dbraw/zinc/84/33/70/607843370.db2.gz VZRZRSXEIACLHP-UHFFFAOYSA-N -1 3 376.449 3.360 20 0 GGADHM O=CN1CCc2cc(C(=O)CSc3ccc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000826483811 607844970 /nfs/dbraw/zinc/84/49/70/607844970.db2.gz AQPBNSQEBKCVFG-UHFFFAOYSA-N -1 3 399.863 3.014 20 0 GGADHM O=CN1CCc2cc(C(=O)CSc3ccc(-c4nn[n-]n4)cc3Cl)ccc21 ZINC000826483811 607844971 /nfs/dbraw/zinc/84/49/71/607844971.db2.gz AQPBNSQEBKCVFG-UHFFFAOYSA-N -1 3 399.863 3.014 20 0 GGADHM CN(Cn1nc(Cc2cccs2)oc1=S)c1ccccc1-c1nnn[n-]1 ZINC000826004301 607846920 /nfs/dbraw/zinc/84/69/20/607846920.db2.gz RGFCIXZUPNKWRS-UHFFFAOYSA-N -1 3 385.478 3.132 20 0 GGADHM CN(Cn1nc(Cc2cccs2)oc1=S)c1ccccc1-c1nn[n-]n1 ZINC000826004301 607846921 /nfs/dbraw/zinc/84/69/21/607846921.db2.gz RGFCIXZUPNKWRS-UHFFFAOYSA-N -1 3 385.478 3.132 20 0 GGADHM CN(Cn1nc(C2CC2)sc1=S)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826004384 607848820 /nfs/dbraw/zinc/84/88/20/607848820.db2.gz VOIDQVUJTKQQFY-UHFFFAOYSA-N -1 3 379.902 3.479 20 0 GGADHM CN(Cn1nc(C2CC2)sc1=S)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826004384 607848821 /nfs/dbraw/zinc/84/88/21/607848821.db2.gz VOIDQVUJTKQQFY-UHFFFAOYSA-N -1 3 379.902 3.479 20 0 GGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000824662652 607850021 /nfs/dbraw/zinc/85/00/21/607850021.db2.gz OZELASVXFHLVEE-BXKDBHETSA-N -1 3 376.342 3.257 20 0 GGADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000824662652 607850022 /nfs/dbraw/zinc/85/00/22/607850022.db2.gz OZELASVXFHLVEE-BXKDBHETSA-N -1 3 376.342 3.257 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824450700 607850664 /nfs/dbraw/zinc/85/06/64/607850664.db2.gz YHYZHUXGPLWCSR-SECBINFHSA-N -1 3 377.221 3.206 20 0 GGADHM C[C@H](Cc1cc(Br)ccc1F)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824450700 607850665 /nfs/dbraw/zinc/85/06/65/607850665.db2.gz YHYZHUXGPLWCSR-SECBINFHSA-N -1 3 377.221 3.206 20 0 GGADHM Cc1cnccc1CCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826319619 607855936 /nfs/dbraw/zinc/85/59/36/607855936.db2.gz KROBSQZUVVDWIM-UHFFFAOYSA-N -1 3 384.443 3.210 20 0 GGADHM Cc1cnccc1CCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826319619 607855937 /nfs/dbraw/zinc/85/59/37/607855937.db2.gz KROBSQZUVVDWIM-UHFFFAOYSA-N -1 3 384.443 3.210 20 0 GGADHM COc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1-c1ccccn1 ZINC000826188027 607857141 /nfs/dbraw/zinc/85/71/41/607857141.db2.gz LUDSANYVPJBMDE-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM COc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccccn1 ZINC000826188027 607857142 /nfs/dbraw/zinc/85/71/42/607857142.db2.gz LUDSANYVPJBMDE-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C)cc1Br ZINC000826174123 607861241 /nfs/dbraw/zinc/86/12/41/607861241.db2.gz JGWHUGIJYDKYLN-UHFFFAOYSA-N -1 3 389.209 3.165 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C)cc1Br ZINC000826174123 607861242 /nfs/dbraw/zinc/86/12/42/607861242.db2.gz JGWHUGIJYDKYLN-UHFFFAOYSA-N -1 3 389.209 3.165 20 0 GGADHM CCOc1ccccc1N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825654290 607862199 /nfs/dbraw/zinc/86/21/99/607862199.db2.gz VNTQCNVKGLUEAM-UHFFFAOYSA-N -1 3 383.477 3.162 20 0 GGADHM CCOc1ccccc1N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825654290 607862200 /nfs/dbraw/zinc/86/22/00/607862200.db2.gz VNTQCNVKGLUEAM-UHFFFAOYSA-N -1 3 383.477 3.162 20 0 GGADHM CC(C)Oc1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000824332953 607866533 /nfs/dbraw/zinc/86/65/33/607866533.db2.gz BGXFOFLVKGRQNT-UHFFFAOYSA-N -1 3 378.392 3.283 20 0 GGADHM CC(C)Oc1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000824332953 607866534 /nfs/dbraw/zinc/86/65/34/607866534.db2.gz BGXFOFLVKGRQNT-UHFFFAOYSA-N -1 3 378.392 3.283 20 0 GGADHM CC(C)c1cc(=O)oc2cc(OC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000824343170 607870490 /nfs/dbraw/zinc/87/04/90/607870490.db2.gz ZMOULBYPNSJRQR-GOSISDBHSA-N -1 3 392.415 3.209 20 0 GGADHM CC(C)c1cc(=O)oc2cc(OC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000824343170 607870491 /nfs/dbraw/zinc/87/04/91/607870491.db2.gz ZMOULBYPNSJRQR-GOSISDBHSA-N -1 3 392.415 3.209 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1cc(F)ccc1F ZINC000825608976 607872245 /nfs/dbraw/zinc/87/22/45/607872245.db2.gz GAATZHZRNRTVON-AWEZNQCLSA-N -1 3 396.781 3.309 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1cc(F)ccc1F ZINC000825608976 607872246 /nfs/dbraw/zinc/87/22/46/607872246.db2.gz GAATZHZRNRTVON-AWEZNQCLSA-N -1 3 396.781 3.309 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1c(F)cccc1F ZINC000825609530 607872516 /nfs/dbraw/zinc/87/25/16/607872516.db2.gz OQMMHWDAMOHCRA-ZDUSSCGKSA-N -1 3 396.781 3.309 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1c(F)cccc1F ZINC000825609530 607872517 /nfs/dbraw/zinc/87/25/17/607872517.db2.gz OQMMHWDAMOHCRA-ZDUSSCGKSA-N -1 3 396.781 3.309 20 0 GGADHM O[C@@H](COc1cc(Br)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503997 607874653 /nfs/dbraw/zinc/87/46/53/607874653.db2.gz LCFFOVAXHLVLKY-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COc1cc(Br)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503997 607874654 /nfs/dbraw/zinc/87/46/54/607874654.db2.gz LCFFOVAXHLVLKY-ZDUSSCGKSA-N -1 3 395.644 3.395 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccccc1Br ZINC000826255147 607875718 /nfs/dbraw/zinc/87/57/18/607875718.db2.gz NNPGCYADIJJQOC-AWEZNQCLSA-N -1 3 375.226 3.050 20 0 GGADHM Cc1nc(-c2ccc(OC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000826322294 607876575 /nfs/dbraw/zinc/87/65/75/607876575.db2.gz GTNUJOLUQXZUBT-GOSISDBHSA-N -1 3 379.445 3.411 20 0 GGADHM Cc1nc(-c2ccc(OC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000826322294 607876576 /nfs/dbraw/zinc/87/65/76/607876576.db2.gz GTNUJOLUQXZUBT-GOSISDBHSA-N -1 3 379.445 3.411 20 0 GGADHM C[C@@](O)(CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824670338 607885886 /nfs/dbraw/zinc/88/58/86/607885886.db2.gz MDHVREIBSXSJML-HXUWFJFHSA-N -1 3 379.420 3.149 20 0 GGADHM C[C@@](O)(CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824670338 607885887 /nfs/dbraw/zinc/88/58/87/607885887.db2.gz MDHVREIBSXSJML-HXUWFJFHSA-N -1 3 379.420 3.149 20 0 GGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc([S@](C)=O)cc1 ZINC000824650917 607902627 /nfs/dbraw/zinc/90/26/27/607902627.db2.gz WANGODPVOXFEAM-MUDIAHQHSA-N -1 3 378.461 3.325 20 0 GGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc([S@](C)=O)cc1 ZINC000824650917 607902628 /nfs/dbraw/zinc/90/26/28/607902628.db2.gz WANGODPVOXFEAM-MUDIAHQHSA-N -1 3 378.461 3.325 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2ccc(Br)cc21 ZINC000826464540 607909557 /nfs/dbraw/zinc/90/95/57/607909557.db2.gz AZDKUHLVTWHEMU-UHFFFAOYSA-N -1 3 398.220 3.468 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccc(Br)cc21 ZINC000826464540 607909558 /nfs/dbraw/zinc/90/95/58/607909558.db2.gz AZDKUHLVTWHEMU-UHFFFAOYSA-N -1 3 398.220 3.468 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)c1ccnnc1 ZINC000826454972 607929071 /nfs/dbraw/zinc/92/90/71/607929071.db2.gz TVXDICOOWZBLAF-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM FC(F)Oc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826369697 607931529 /nfs/dbraw/zinc/93/15/29/607931529.db2.gz NAHZMZNVPFGNFV-UHFFFAOYSA-N -1 3 388.403 3.228 20 0 GGADHM FC(F)Oc1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826369697 607931530 /nfs/dbraw/zinc/93/15/30/607931530.db2.gz NAHZMZNVPFGNFV-UHFFFAOYSA-N -1 3 388.403 3.228 20 0 GGADHM Fc1cccc2c1CCN(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000826378015 607931573 /nfs/dbraw/zinc/93/15/73/607931573.db2.gz QXQGOQVPRHLLNF-UHFFFAOYSA-N -1 3 388.859 3.414 20 0 GGADHM Fc1cccc2c1CCN(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000826378015 607931574 /nfs/dbraw/zinc/93/15/74/607931574.db2.gz QXQGOQVPRHLLNF-UHFFFAOYSA-N -1 3 388.859 3.414 20 0 GGADHM Cc1cccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1Br ZINC000826295448 607931611 /nfs/dbraw/zinc/93/16/11/607931611.db2.gz IDKMQALKRCIEKP-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM Cc1cccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1Br ZINC000826295448 607931612 /nfs/dbraw/zinc/93/16/12/607931612.db2.gz IDKMQALKRCIEKP-UHFFFAOYSA-N -1 3 386.253 3.210 20 0 GGADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1Br ZINC000826296172 607931676 /nfs/dbraw/zinc/93/16/76/607931676.db2.gz LRPNQNWHMKVCON-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000826296172 607931677 /nfs/dbraw/zinc/93/16/77/607931677.db2.gz LRPNQNWHMKVCON-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM CC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211059 607934841 /nfs/dbraw/zinc/93/48/41/607934841.db2.gz KRFKRGAVKSNRRO-GXTWGEPZSA-N -1 3 390.463 3.135 20 0 GGADHM CC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211059 607934842 /nfs/dbraw/zinc/93/48/42/607934842.db2.gz KRFKRGAVKSNRRO-GXTWGEPZSA-N -1 3 390.463 3.135 20 0 GGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1occc1-c1ccccc1 ZINC000826464488 607943328 /nfs/dbraw/zinc/94/33/28/607943328.db2.gz YHCTXIXYQOWCKM-UHFFFAOYSA-N -1 3 376.372 3.363 20 0 GGADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(Br)c1 ZINC000826281898 607946319 /nfs/dbraw/zinc/94/63/19/607946319.db2.gz OTOVQXRMCOSVJB-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(Br)c1 ZINC000826281898 607946320 /nfs/dbraw/zinc/94/63/20/607946320.db2.gz OTOVQXRMCOSVJB-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826219382 607947354 /nfs/dbraw/zinc/94/73/54/607947354.db2.gz AAHXFMMNECKGJR-AWEZNQCLSA-N -1 3 377.448 3.033 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826219382 607947355 /nfs/dbraw/zinc/94/73/55/607947355.db2.gz AAHXFMMNECKGJR-AWEZNQCLSA-N -1 3 377.448 3.033 20 0 GGADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826284649 607947404 /nfs/dbraw/zinc/94/74/04/607947404.db2.gz ACFLANUIRRZSKV-OALUTQOASA-N -1 3 394.431 3.017 20 0 GGADHM Cc1noc2nc(C(C)C)cc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c12 ZINC000826339958 607951704 /nfs/dbraw/zinc/95/17/04/607951704.db2.gz ARKMCLXTNSJAPN-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1noc2nc(C(C)C)cc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c12 ZINC000826339958 607951705 /nfs/dbraw/zinc/95/17/05/607951705.db2.gz ARKMCLXTNSJAPN-UHFFFAOYSA-N -1 3 389.419 3.038 20 0 GGADHM Cc1ccc(OCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C ZINC000826291930 607952597 /nfs/dbraw/zinc/95/25/97/607952597.db2.gz BKFGWUSXYPXVGP-UHFFFAOYSA-N -1 3 377.448 3.232 20 0 GGADHM Cc1ccc(OCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C ZINC000826291930 607952598 /nfs/dbraw/zinc/95/25/98/607952598.db2.gz BKFGWUSXYPXVGP-UHFFFAOYSA-N -1 3 377.448 3.232 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826263165 607954916 /nfs/dbraw/zinc/95/49/16/607954916.db2.gz NTPQAUNNMMDENR-UHFFFAOYSA-N -1 3 377.448 3.150 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826263165 607954917 /nfs/dbraw/zinc/95/49/17/607954917.db2.gz NTPQAUNNMMDENR-UHFFFAOYSA-N -1 3 377.448 3.150 20 0 GGADHM CN(c1ccccc1)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cn1 ZINC000826011099 607955082 /nfs/dbraw/zinc/95/50/82/607955082.db2.gz WXLFVPYGTSHRFT-UHFFFAOYSA-N -1 3 397.442 3.233 20 0 GGADHM CN(c1ccccc1)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC000826011099 607955083 /nfs/dbraw/zinc/95/50/83/607955083.db2.gz WXLFVPYGTSHRFT-UHFFFAOYSA-N -1 3 397.442 3.233 20 0 GGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457223 607957085 /nfs/dbraw/zinc/95/70/85/607957085.db2.gz RRNBOWHPGWDIKR-UHFFFAOYSA-N -1 3 383.415 3.034 20 0 GGADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457223 607957086 /nfs/dbraw/zinc/95/70/86/607957086.db2.gz RRNBOWHPGWDIKR-UHFFFAOYSA-N -1 3 383.415 3.034 20 0 GGADHM O=C(CN1CCC(=Cc2cccc(F)c2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000826410563 607957706 /nfs/dbraw/zinc/95/77/06/607957706.db2.gz QRMAIICAQCWOMY-UHFFFAOYSA-N -1 3 398.467 3.185 20 0 GGADHM O=C(CN1CCC(=Cc2cccc(F)c2)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000826410563 607957707 /nfs/dbraw/zinc/95/77/07/607957707.db2.gz QRMAIICAQCWOMY-UHFFFAOYSA-N -1 3 398.467 3.185 20 0 GGADHM CN(C(=O)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825829283 607962244 /nfs/dbraw/zinc/96/22/44/607962244.db2.gz BAFYYPQVKUXHOK-UHFFFAOYSA-N -1 3 398.426 3.396 20 0 GGADHM CN(C(=O)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825829283 607962245 /nfs/dbraw/zinc/96/22/45/607962245.db2.gz BAFYYPQVKUXHOK-UHFFFAOYSA-N -1 3 398.426 3.396 20 0 GGADHM OC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826508524 607969490 /nfs/dbraw/zinc/96/94/90/607969490.db2.gz RZRVJZAZBBLAJO-ZDUSSCGKSA-N -1 3 385.296 3.309 20 0 GGADHM OC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000826508524 607969491 /nfs/dbraw/zinc/96/94/91/607969491.db2.gz RZRVJZAZBBLAJO-ZDUSSCGKSA-N -1 3 385.296 3.309 20 0 GGADHM COc1ccc(COc2ccc([C@@](C)(O)C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826207392 607973685 /nfs/dbraw/zinc/97/36/85/607973685.db2.gz MKFLPJQIMWSFJZ-QGZVFWFLSA-N -1 3 394.353 3.224 20 0 GGADHM COc1ccc(COc2ccc([C@@](C)(O)C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826207392 607973686 /nfs/dbraw/zinc/97/36/86/607973686.db2.gz MKFLPJQIMWSFJZ-QGZVFWFLSA-N -1 3 394.353 3.224 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000825782685 607975807 /nfs/dbraw/zinc/97/58/07/607975807.db2.gz LNFDYXDMUCEDDZ-KRWDZBQOSA-N -1 3 390.447 3.461 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000825782685 607975808 /nfs/dbraw/zinc/97/58/08/607975808.db2.gz LNFDYXDMUCEDDZ-KRWDZBQOSA-N -1 3 390.447 3.461 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000824148246 607977065 /nfs/dbraw/zinc/97/70/65/607977065.db2.gz PRZITHAAYRARRR-INIZCTEOSA-N -1 3 380.456 3.091 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000824148246 607977066 /nfs/dbraw/zinc/97/70/66/607977066.db2.gz PRZITHAAYRARRR-INIZCTEOSA-N -1 3 380.456 3.091 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823943131 607980150 /nfs/dbraw/zinc/98/01/50/607980150.db2.gz OIADLVXBDKTLIH-BENRWUELSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823943131 607980151 /nfs/dbraw/zinc/98/01/51/607980151.db2.gz OIADLVXBDKTLIH-BENRWUELSA-N -1 3 382.807 3.350 20 0 GGADHM C[C@@H](NC(=O)N1Cc2ccccc2C(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824489456 607980156 /nfs/dbraw/zinc/98/01/56/607980156.db2.gz LAMQWGMJRVMGEN-CQSZACIVSA-N -1 3 376.464 3.431 20 0 GGADHM C[C@@H](NC(=O)N1Cc2ccccc2C(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824489456 607980157 /nfs/dbraw/zinc/98/01/57/607980157.db2.gz LAMQWGMJRVMGEN-CQSZACIVSA-N -1 3 376.464 3.431 20 0 GGADHM CC(C)Cn1ncc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1C(F)F ZINC000824285050 607980159 /nfs/dbraw/zinc/98/01/59/607980159.db2.gz UZGUQARUBAEIRL-UHFFFAOYSA-N -1 3 394.357 3.153 20 0 GGADHM CC(C)Cn1ncc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1C(F)F ZINC000824285050 607980160 /nfs/dbraw/zinc/98/01/60/607980160.db2.gz UZGUQARUBAEIRL-UHFFFAOYSA-N -1 3 394.357 3.153 20 0 GGADHM COc1ccc(CSCC(=O)Nc2cc(C)cc(C)c2)cc1-c1nnn[n-]1 ZINC000826207452 607983739 /nfs/dbraw/zinc/98/37/39/607983739.db2.gz OMAPTYBVAQACLS-UHFFFAOYSA-N -1 3 383.477 3.364 20 0 GGADHM COc1ccc(CSCC(=O)Nc2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC000826207452 607983740 /nfs/dbraw/zinc/98/37/40/607983740.db2.gz OMAPTYBVAQACLS-UHFFFAOYSA-N -1 3 383.477 3.364 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191340 607992134 /nfs/dbraw/zinc/99/21/34/607992134.db2.gz DDQWKLHPHWZCQO-GJZGRUSLSA-N -1 3 396.447 3.065 20 0 GGADHM COc1ccc(C[C@H](C)C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191340 607992135 /nfs/dbraw/zinc/99/21/35/607992135.db2.gz DDQWKLHPHWZCQO-GJZGRUSLSA-N -1 3 396.447 3.065 20 0 GGADHM COc1ccc(CNC(=O)C(C)=Cc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826196294 607995866 /nfs/dbraw/zinc/99/58/66/607995866.db2.gz XDKWRZZYFWOPHH-XYOKQWHBSA-N -1 3 383.839 3.248 20 0 GGADHM COc1ccc(CNC(=O)C(C)=Cc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826196294 607995867 /nfs/dbraw/zinc/99/58/67/607995867.db2.gz XDKWRZZYFWOPHH-XYOKQWHBSA-N -1 3 383.839 3.248 20 0 GGADHM CCc1ccc(O)c(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)c1 ZINC000825718239 607999370 /nfs/dbraw/zinc/99/93/70/607999370.db2.gz XENULKKBIVALKL-UHFFFAOYSA-N -1 3 398.492 3.186 20 0 GGADHM CCc1ccc(O)c(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)c1 ZINC000825718239 607999371 /nfs/dbraw/zinc/99/93/71/607999371.db2.gz XENULKKBIVALKL-UHFFFAOYSA-N -1 3 398.492 3.186 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1ccc(Cl)nc1 ZINC000826167474 608000831 /nfs/dbraw/zinc/00/08/31/608000831.db2.gz FZLDMUXXDVXDSZ-HYXAFXHYSA-N -1 3 392.202 3.196 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1ccc(Cl)nc1 ZINC000826167474 608000832 /nfs/dbraw/zinc/00/08/32/608000832.db2.gz FZLDMUXXDVXDSZ-HYXAFXHYSA-N -1 3 392.202 3.196 20 0 GGADHM CC(C)(C)C1=CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000824071613 608003654 /nfs/dbraw/zinc/00/36/54/608003654.db2.gz LGXGKMLTQCVLHW-UHFFFAOYSA-N -1 3 396.495 3.180 20 0 GGADHM CC(C)(C)C1=CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000824071613 608003655 /nfs/dbraw/zinc/00/36/55/608003655.db2.gz LGXGKMLTQCVLHW-UHFFFAOYSA-N -1 3 396.495 3.180 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826273620 608008448 /nfs/dbraw/zinc/00/84/48/608008448.db2.gz NBDQKIAIDICYSF-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826273620 608008449 /nfs/dbraw/zinc/00/84/49/608008449.db2.gz NBDQKIAIDICYSF-UHFFFAOYSA-N -1 3 375.392 3.152 20 0 GGADHM CCc1onc(C)c1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825782286 608009157 /nfs/dbraw/zinc/00/91/57/608009157.db2.gz AVKBUYJLQLTUEM-UHFFFAOYSA-N -1 3 391.391 3.165 20 0 GGADHM CCc1onc(C)c1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825782286 608009158 /nfs/dbraw/zinc/00/91/58/608009158.db2.gz AVKBUYJLQLTUEM-UHFFFAOYSA-N -1 3 391.391 3.165 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000825782991 608009206 /nfs/dbraw/zinc/00/92/06/608009206.db2.gz YIVBYXZYOZLIIK-UHFFFAOYSA-N -1 3 394.391 3.150 20 0 GGADHM Cc1cc([C@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)ccc1F ZINC000826262179 608009434 /nfs/dbraw/zinc/00/94/34/608009434.db2.gz GNZRXRGKNQCGCW-QGZVFWFLSA-N -1 3 387.365 3.474 20 0 GGADHM Cc1cc([C@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)ccc1F ZINC000826262179 608009435 /nfs/dbraw/zinc/00/94/35/608009435.db2.gz GNZRXRGKNQCGCW-QGZVFWFLSA-N -1 3 387.365 3.474 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1nccc(OCc2ccccc2)n1 ZINC000826176554 608015506 /nfs/dbraw/zinc/01/55/06/608015506.db2.gz ULCUYHIFQDDBMG-UHFFFAOYSA-N -1 3 376.376 3.037 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1nccc(OCc2ccccc2)n1 ZINC000826176554 608015507 /nfs/dbraw/zinc/01/55/07/608015507.db2.gz ULCUYHIFQDDBMG-UHFFFAOYSA-N -1 3 376.376 3.037 20 0 GGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000824284139 608022331 /nfs/dbraw/zinc/02/23/31/608022331.db2.gz CHLLJDKXXYNNEP-UHFFFAOYSA-N -1 3 376.371 3.301 20 0 GGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000824284139 608022332 /nfs/dbraw/zinc/02/23/32/608022332.db2.gz CHLLJDKXXYNNEP-UHFFFAOYSA-N -1 3 376.371 3.301 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825080706 608023296 /nfs/dbraw/zinc/02/32/96/608023296.db2.gz BOTZIVGUDFJDLU-OLZOCXBDSA-N -1 3 379.468 3.403 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825080706 608023297 /nfs/dbraw/zinc/02/32/97/608023297.db2.gz BOTZIVGUDFJDLU-OLZOCXBDSA-N -1 3 379.468 3.403 20 0 GGADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826212770 608024502 /nfs/dbraw/zinc/02/45/02/608024502.db2.gz ANXUFCVTQRHNJI-SNVBAGLBSA-N -1 3 385.811 3.034 20 0 GGADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826212770 608024503 /nfs/dbraw/zinc/02/45/03/608024503.db2.gz ANXUFCVTQRHNJI-SNVBAGLBSA-N -1 3 385.811 3.034 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cnc(Cl)s1 ZINC000826406377 608029064 /nfs/dbraw/zinc/02/90/64/608029064.db2.gz UEMDQAUYMWKQHD-UHFFFAOYSA-N -1 3 393.856 3.269 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cnc(Cl)s1 ZINC000826406377 608029065 /nfs/dbraw/zinc/02/90/65/608029065.db2.gz UEMDQAUYMWKQHD-UHFFFAOYSA-N -1 3 393.856 3.269 20 0 GGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C(F)F ZINC000824284435 608031758 /nfs/dbraw/zinc/03/17/58/608031758.db2.gz IMIHZTMGZMDQNG-UHFFFAOYSA-N -1 3 394.361 3.440 20 0 GGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C(F)F ZINC000824284435 608031759 /nfs/dbraw/zinc/03/17/59/608031759.db2.gz IMIHZTMGZMDQNG-UHFFFAOYSA-N -1 3 394.361 3.440 20 0 GGADHM COc1ccc2c(c1)OC[C@H]2CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826213453 608039902 /nfs/dbraw/zinc/03/99/02/608039902.db2.gz XEBMQIZIHAUNGQ-IUODEOHRSA-N -1 3 380.404 3.046 20 0 GGADHM COc1ccc2c(c1)OC[C@H]2CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826213453 608039903 /nfs/dbraw/zinc/03/99/03/608039903.db2.gz XEBMQIZIHAUNGQ-IUODEOHRSA-N -1 3 380.404 3.046 20 0 GGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cc1F ZINC000826203932 608047806 /nfs/dbraw/zinc/04/78/06/608047806.db2.gz NCKMTUSWIMZMSH-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccccc1-n1cccn1 ZINC000823827226 608048330 /nfs/dbraw/zinc/04/83/30/608048330.db2.gz XXTYLNCNBVHCKN-UHFFFAOYSA-N -1 3 396.252 3.427 20 0 GGADHM COc1nc(C)cc(C)c1CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826221369 608048554 /nfs/dbraw/zinc/04/85/54/608048554.db2.gz BHNDPKBVONBFOH-UHFFFAOYSA-N -1 3 389.257 3.262 20 0 GGADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)[C@@H]2CCCO[C@H]21 ZINC000824788979 608050478 /nfs/dbraw/zinc/05/04/78/608050478.db2.gz FALVEQMTQPSPCW-ZLKJLUDKSA-N -1 3 378.274 3.245 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824977918 608050557 /nfs/dbraw/zinc/05/05/57/608050557.db2.gz SWJWLLWQEKAMJZ-LBPRGKRZSA-N -1 3 399.838 3.173 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824977918 608050558 /nfs/dbraw/zinc/05/05/58/608050558.db2.gz SWJWLLWQEKAMJZ-LBPRGKRZSA-N -1 3 399.838 3.173 20 0 GGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)[C@H](O)Cc1ccccc1 ZINC000824651206 608051274 /nfs/dbraw/zinc/05/12/74/608051274.db2.gz XOYFDIICQOQKRP-BDJLRTHQSA-N -1 3 388.269 3.033 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000824324355 608057842 /nfs/dbraw/zinc/05/78/42/608057842.db2.gz LYDKOYDOWWVWMZ-KRWDZBQOSA-N -1 3 393.447 3.410 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000824324355 608057843 /nfs/dbraw/zinc/05/78/43/608057843.db2.gz LYDKOYDOWWVWMZ-KRWDZBQOSA-N -1 3 393.447 3.410 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000826395567 608058612 /nfs/dbraw/zinc/05/86/12/608058612.db2.gz JFMHDBZOKPOCLL-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM Nc1c(Cl)cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000826395567 608058613 /nfs/dbraw/zinc/05/86/13/608058613.db2.gz JFMHDBZOKPOCLL-UHFFFAOYSA-N -1 3 382.182 3.252 20 0 GGADHM COc1cccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1F ZINC000826214701 608059368 /nfs/dbraw/zinc/05/93/68/608059368.db2.gz ULLZZJWXNUTVFR-UHFFFAOYSA-N -1 3 396.407 3.390 20 0 GGADHM COc1cccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1F ZINC000826214701 608059369 /nfs/dbraw/zinc/05/93/69/608059369.db2.gz ULLZZJWXNUTVFR-UHFFFAOYSA-N -1 3 396.407 3.390 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)NC2CCC(F)(F)CC2)c1-c1nnn[n-]1 ZINC000826231204 608060452 /nfs/dbraw/zinc/06/04/52/608060452.db2.gz BOAMVKINLAOICG-UHFFFAOYSA-N -1 3 394.451 3.169 20 0 GGADHM CCCC1CCC(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000825253502 608062102 /nfs/dbraw/zinc/06/21/02/608062102.db2.gz NCFYEDBSEZKSTM-XUJQIHCRSA-N -1 3 398.511 3.309 20 0 GGADHM CCCC1CCC(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825253502 608062103 /nfs/dbraw/zinc/06/21/03/608062103.db2.gz NCFYEDBSEZKSTM-XUJQIHCRSA-N -1 3 398.511 3.309 20 0 GGADHM O=C(NCCCC1CCCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826436390 608062231 /nfs/dbraw/zinc/06/22/31/608062231.db2.gz RNYYKYDZRZUEEV-IBGZPJMESA-N -1 3 398.511 3.310 20 0 GGADHM O=C(NCCCC1CCCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826436390 608062232 /nfs/dbraw/zinc/06/22/32/608062232.db2.gz RNYYKYDZRZUEEV-IBGZPJMESA-N -1 3 398.511 3.310 20 0 GGADHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000824280442 608062420 /nfs/dbraw/zinc/06/24/20/608062420.db2.gz NYAGNMGDDVQMHP-GFCCVEGCSA-N -1 3 397.508 3.110 20 0 GGADHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000824280442 608062421 /nfs/dbraw/zinc/06/24/21/608062421.db2.gz NYAGNMGDDVQMHP-GFCCVEGCSA-N -1 3 397.508 3.110 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825254473 608062501 /nfs/dbraw/zinc/06/25/01/608062501.db2.gz RYLRZZALVIZTEE-ATZDWAIDSA-N -1 3 398.511 3.309 20 0 GGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825254473 608062502 /nfs/dbraw/zinc/06/25/02/608062502.db2.gz RYLRZZALVIZTEE-ATZDWAIDSA-N -1 3 398.511 3.309 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825159167 608062644 /nfs/dbraw/zinc/06/26/44/608062644.db2.gz KMNKOCLVSUFTMK-SFHVURJKSA-N -1 3 395.463 3.002 20 0 GGADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825159167 608062645 /nfs/dbraw/zinc/06/26/45/608062645.db2.gz KMNKOCLVSUFTMK-SFHVURJKSA-N -1 3 395.463 3.002 20 0 GGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824876109 608064188 /nfs/dbraw/zinc/06/41/88/608064188.db2.gz QEMZPYVLYCKZED-FHLIZLRMSA-N -1 3 398.511 3.164 20 0 GGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824876109 608064189 /nfs/dbraw/zinc/06/41/89/608064189.db2.gz QEMZPYVLYCKZED-FHLIZLRMSA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)CC1(CNC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CCC1 ZINC000824235020 608065275 /nfs/dbraw/zinc/06/52/75/608065275.db2.gz APXMJOXINXYOID-GOSISDBHSA-N -1 3 398.511 3.166 20 0 GGADHM CC(C)CC1(CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CCC1 ZINC000824235020 608065276 /nfs/dbraw/zinc/06/52/76/608065276.db2.gz APXMJOXINXYOID-GOSISDBHSA-N -1 3 398.511 3.166 20 0 GGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824777056 608069580 /nfs/dbraw/zinc/06/95/80/608069580.db2.gz HFWFRMZQIPQNKG-CZUORRHYSA-N -1 3 382.468 3.287 20 0 GGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824777056 608069581 /nfs/dbraw/zinc/06/95/81/608069581.db2.gz HFWFRMZQIPQNKG-CZUORRHYSA-N -1 3 382.468 3.287 20 0 GGADHM COc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826205599 608072450 /nfs/dbraw/zinc/07/24/50/608072450.db2.gz CBYVCIFPVNEJCR-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM COc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826205599 608072451 /nfs/dbraw/zinc/07/24/51/608072451.db2.gz CBYVCIFPVNEJCR-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM COc1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1F ZINC000826214534 608072527 /nfs/dbraw/zinc/07/25/27/608072527.db2.gz OJTGHKLIHMOZNB-UHFFFAOYSA-N -1 3 396.407 3.390 20 0 GGADHM COc1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1F ZINC000826214534 608072528 /nfs/dbraw/zinc/07/25/28/608072528.db2.gz OJTGHKLIHMOZNB-UHFFFAOYSA-N -1 3 396.407 3.390 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000825972195 608072624 /nfs/dbraw/zinc/07/26/24/608072624.db2.gz WIQTVWVLFGTZBZ-UHFFFAOYSA-N -1 3 398.417 3.018 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000825972195 608072625 /nfs/dbraw/zinc/07/26/25/608072625.db2.gz WIQTVWVLFGTZBZ-UHFFFAOYSA-N -1 3 398.417 3.018 20 0 GGADHM CSc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826230697 608072633 /nfs/dbraw/zinc/07/26/33/608072633.db2.gz GACKOPOMONLKEG-KRWDZBQOSA-N -1 3 396.476 3.194 20 0 GGADHM CSc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826230697 608072634 /nfs/dbraw/zinc/07/26/34/608072634.db2.gz GACKOPOMONLKEG-KRWDZBQOSA-N -1 3 396.476 3.194 20 0 GGADHM CCc1cccc(C)c1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825717805 608072644 /nfs/dbraw/zinc/07/26/44/608072644.db2.gz QDVUNHFHDCWNRL-GOSISDBHSA-N -1 3 392.463 3.343 20 0 GGADHM CCc1cccc(C)c1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825717805 608072645 /nfs/dbraw/zinc/07/26/45/608072645.db2.gz QDVUNHFHDCWNRL-GOSISDBHSA-N -1 3 392.463 3.343 20 0 GGADHM Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826291207 608072746 /nfs/dbraw/zinc/07/27/46/608072746.db2.gz URUKMGOUCRGAFG-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826291207 608072747 /nfs/dbraw/zinc/07/27/47/608072747.db2.gz URUKMGOUCRGAFG-QGZVFWFLSA-N -1 3 398.854 3.434 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000824177653 608073538 /nfs/dbraw/zinc/07/35/38/608073538.db2.gz HZWBLWGFEKEGDO-UHFFFAOYSA-N -1 3 376.775 3.422 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000824177653 608073539 /nfs/dbraw/zinc/07/35/39/608073539.db2.gz HZWBLWGFEKEGDO-UHFFFAOYSA-N -1 3 376.775 3.422 20 0 GGADHM C[C@H]1CC[C@H](COC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)O1 ZINC000824909458 608077041 /nfs/dbraw/zinc/07/70/41/608077041.db2.gz UBIHGIZJNHNUGV-KBXCAEBGSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@H]1CC[C@H](COC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)O1 ZINC000824909458 608077042 /nfs/dbraw/zinc/07/70/42/608077042.db2.gz UBIHGIZJNHNUGV-KBXCAEBGSA-N -1 3 394.431 3.170 20 0 GGADHM O=C(COc1ccc(Cl)c(F)c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826417725 608078396 /nfs/dbraw/zinc/07/83/96/608078396.db2.gz BSICYCTWMUWIAE-UHFFFAOYSA-N -1 3 393.831 3.227 20 0 GGADHM O=C(COc1ccc(Cl)c(F)c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826417725 608078397 /nfs/dbraw/zinc/07/83/97/608078397.db2.gz BSICYCTWMUWIAE-UHFFFAOYSA-N -1 3 393.831 3.227 20 0 GGADHM Cc1ccc(CCCC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826287631 608081064 /nfs/dbraw/zinc/08/10/64/608081064.db2.gz WURKPUGSESCFLH-HXUWFJFHSA-N -1 3 391.475 3.098 20 0 GGADHM Cc1ccc(CCCC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826287631 608081065 /nfs/dbraw/zinc/08/10/65/608081065.db2.gz WURKPUGSESCFLH-HXUWFJFHSA-N -1 3 391.475 3.098 20 0 GGADHM CC[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825126423 608084037 /nfs/dbraw/zinc/08/40/37/608084037.db2.gz HYQVVADIDTUGJG-XLIONFOSSA-N -1 3 391.475 3.036 20 0 GGADHM CC[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825126423 608084038 /nfs/dbraw/zinc/08/40/38/608084038.db2.gz HYQVVADIDTUGJG-XLIONFOSSA-N -1 3 391.475 3.036 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2N1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824222838 608087594 /nfs/dbraw/zinc/08/75/94/608087594.db2.gz CWNKPTNTMLYLCQ-HNNXBMFYSA-N -1 3 382.493 3.344 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2N1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824222838 608087595 /nfs/dbraw/zinc/08/75/95/608087595.db2.gz CWNKPTNTMLYLCQ-HNNXBMFYSA-N -1 3 382.493 3.344 20 0 GGADHM CCC1(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCOCC1 ZINC000825176183 608090121 /nfs/dbraw/zinc/09/01/21/608090121.db2.gz JICJYGGWRFEYPC-UHFFFAOYSA-N -1 3 392.463 3.299 20 0 GGADHM COc1ccc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826208234 608097326 /nfs/dbraw/zinc/09/73/26/608097326.db2.gz AFAWNLSGDIQSED-UHFFFAOYSA-N -1 3 381.827 3.144 20 0 GGADHM COc1ccc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826208234 608097327 /nfs/dbraw/zinc/09/73/27/608097327.db2.gz AFAWNLSGDIQSED-UHFFFAOYSA-N -1 3 381.827 3.144 20 0 GGADHM CC(C)(C)OC(=O)N1CC(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000824103675 608098392 /nfs/dbraw/zinc/09/83/92/608098392.db2.gz GWGUHFVRFLLGKQ-UHFFFAOYSA-N -1 3 398.389 3.164 20 0 GGADHM CC(C)(C)OC(=O)N1CC(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824103675 608098393 /nfs/dbraw/zinc/09/83/93/608098393.db2.gz GWGUHFVRFLLGKQ-UHFFFAOYSA-N -1 3 398.389 3.164 20 0 GGADHM CC[C@@H](C)n1ncc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825081660 608102622 /nfs/dbraw/zinc/10/26/22/608102622.db2.gz LPEVFLRGDGVADW-OLZOCXBDSA-N -1 3 395.467 3.318 20 0 GGADHM CC[C@@H](C)n1ncc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825081660 608102623 /nfs/dbraw/zinc/10/26/23/608102623.db2.gz LPEVFLRGDGVADW-OLZOCXBDSA-N -1 3 395.467 3.318 20 0 GGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824966603 608107582 /nfs/dbraw/zinc/10/75/82/608107582.db2.gz CFXHMOOFZLSQQL-LIRRHRJNSA-N -1 3 376.464 3.332 20 0 GGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824966603 608107583 /nfs/dbraw/zinc/10/75/83/608107583.db2.gz CFXHMOOFZLSQQL-LIRRHRJNSA-N -1 3 376.464 3.332 20 0 GGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824966601 608107643 /nfs/dbraw/zinc/10/76/43/608107643.db2.gz CFXHMOOFZLSQQL-IFXJQAMLSA-N -1 3 376.464 3.332 20 0 GGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824966601 608107644 /nfs/dbraw/zinc/10/76/44/608107644.db2.gz CFXHMOOFZLSQQL-IFXJQAMLSA-N -1 3 376.464 3.332 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824966602 608107649 /nfs/dbraw/zinc/10/76/49/608107649.db2.gz CFXHMOOFZLSQQL-KUHUBIRLSA-N -1 3 376.464 3.332 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824966602 608107650 /nfs/dbraw/zinc/10/76/50/608107650.db2.gz CFXHMOOFZLSQQL-KUHUBIRLSA-N -1 3 376.464 3.332 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000826262907 608111100 /nfs/dbraw/zinc/11/11/00/608111100.db2.gz CQFNZXOWMVMGDM-OAHLLOKOSA-N -1 3 398.467 3.305 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000826262907 608111101 /nfs/dbraw/zinc/11/11/01/608111101.db2.gz CQFNZXOWMVMGDM-OAHLLOKOSA-N -1 3 398.467 3.305 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N1CC[C@H](C2CC2)C1 ZINC000826460089 608112699 /nfs/dbraw/zinc/11/26/99/608112699.db2.gz MNWFWLCOPNIEIW-HNNXBMFYSA-N -1 3 395.492 3.178 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N1CC[C@H](C2CC2)C1 ZINC000826460089 608112700 /nfs/dbraw/zinc/11/27/00/608112700.db2.gz MNWFWLCOPNIEIW-HNNXBMFYSA-N -1 3 395.492 3.178 20 0 GGADHM Cc1cccc(Cc2cnc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)s2)c1Cl ZINC000826298419 608115087 /nfs/dbraw/zinc/11/50/87/608115087.db2.gz RNFPBGJGBLBEOV-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM Cc1cccc(Cc2cnc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)s2)c1Cl ZINC000826298419 608115088 /nfs/dbraw/zinc/11/50/88/608115088.db2.gz RNFPBGJGBLBEOV-UHFFFAOYSA-N -1 3 399.867 3.456 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1NCc1ccco1 ZINC000825958536 608115801 /nfs/dbraw/zinc/11/58/01/608115801.db2.gz ZWCMLMXCRDKNTN-UHFFFAOYSA-N -1 3 388.431 3.344 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1NCc1ccco1 ZINC000825958536 608115802 /nfs/dbraw/zinc/11/58/02/608115802.db2.gz ZWCMLMXCRDKNTN-UHFFFAOYSA-N -1 3 388.431 3.344 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1NCc1ccccc1 ZINC000826443021 608115804 /nfs/dbraw/zinc/11/58/04/608115804.db2.gz WNOWOYDYGISFKG-UHFFFAOYSA-N -1 3 384.443 3.409 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1NCc1ccccc1 ZINC000826443021 608115805 /nfs/dbraw/zinc/11/58/05/608115805.db2.gz WNOWOYDYGISFKG-UHFFFAOYSA-N -1 3 384.443 3.409 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824071215 608117693 /nfs/dbraw/zinc/11/76/93/608117693.db2.gz GVPSIWLOBRKNKM-RISCZKNCSA-N -1 3 378.864 3.235 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824071215 608117694 /nfs/dbraw/zinc/11/76/94/608117694.db2.gz GVPSIWLOBRKNKM-RISCZKNCSA-N -1 3 378.864 3.235 20 0 GGADHM C[C@H]1OCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000825020872 608119091 /nfs/dbraw/zinc/11/90/91/608119091.db2.gz MQJBOZVDXJMVQK-IAQYHMDHSA-N -1 3 398.398 3.097 20 0 GGADHM C[C@H]1OCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000825020872 608119092 /nfs/dbraw/zinc/11/90/92/608119092.db2.gz MQJBOZVDXJMVQK-IAQYHMDHSA-N -1 3 398.398 3.097 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824071586 608119439 /nfs/dbraw/zinc/11/94/39/608119439.db2.gz KASDPMOJEYDMCL-RISCZKNCSA-N -1 3 378.864 3.235 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824071586 608119440 /nfs/dbraw/zinc/11/94/40/608119440.db2.gz KASDPMOJEYDMCL-RISCZKNCSA-N -1 3 378.864 3.235 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000824391001 608123180 /nfs/dbraw/zinc/12/31/80/608123180.db2.gz FZTOMHQRAMUGJO-ZUZCIYMTSA-N -1 3 384.827 3.007 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000824391001 608123181 /nfs/dbraw/zinc/12/31/81/608123181.db2.gz FZTOMHQRAMUGJO-ZUZCIYMTSA-N -1 3 384.827 3.007 20 0 GGADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824394588 608123242 /nfs/dbraw/zinc/12/32/42/608123242.db2.gz YGDSIVKXSBJPQN-NOZJJQNGSA-N -1 3 378.230 3.146 20 0 GGADHM CCc1cnc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)s1 ZINC000825733312 608133630 /nfs/dbraw/zinc/13/36/30/608133630.db2.gz BRUJJVLSAJVJIJ-UHFFFAOYSA-N -1 3 386.872 3.337 20 0 GGADHM CCc1cnc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)s1 ZINC000825733312 608133631 /nfs/dbraw/zinc/13/36/31/608133631.db2.gz BRUJJVLSAJVJIJ-UHFFFAOYSA-N -1 3 386.872 3.337 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cnc2ccccc2c1 ZINC000826162908 608135579 /nfs/dbraw/zinc/13/55/79/608135579.db2.gz XMFMEWXVCFXJBD-UHFFFAOYSA-N -1 3 376.420 3.052 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)cc1C ZINC000826161359 608137087 /nfs/dbraw/zinc/13/70/87/608137087.db2.gz DKUKTLRWEQXYMK-UHFFFAOYSA-N -1 3 387.827 3.106 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1C ZINC000826161359 608137088 /nfs/dbraw/zinc/13/70/88/608137088.db2.gz DKUKTLRWEQXYMK-UHFFFAOYSA-N -1 3 387.827 3.106 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825125931 608137678 /nfs/dbraw/zinc/13/76/78/608137678.db2.gz FPSBNHIVSLHMBC-INIZCTEOSA-N -1 3 395.463 3.099 20 0 GGADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825125931 608137679 /nfs/dbraw/zinc/13/76/79/608137679.db2.gz FPSBNHIVSLHMBC-INIZCTEOSA-N -1 3 395.463 3.099 20 0 GGADHM CCCCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000825296837 608137852 /nfs/dbraw/zinc/13/78/52/608137852.db2.gz XCDBIWYGIMKCFL-UHFFFAOYSA-N -1 3 395.463 3.487 20 0 GGADHM CCCCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000825296837 608137853 /nfs/dbraw/zinc/13/78/53/608137853.db2.gz XCDBIWYGIMKCFL-UHFFFAOYSA-N -1 3 395.463 3.487 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000826161397 608138046 /nfs/dbraw/zinc/13/80/46/608138046.db2.gz GMSXEFOQMNMJRL-UHFFFAOYSA-N -1 3 397.366 3.030 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000826161397 608138047 /nfs/dbraw/zinc/13/80/47/608138047.db2.gz GMSXEFOQMNMJRL-UHFFFAOYSA-N -1 3 397.366 3.030 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC000826231415 608140773 /nfs/dbraw/zinc/14/07/73/608140773.db2.gz KNAVTPAGAGMLFP-GFCCVEGCSA-N -1 3 384.509 3.289 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000825434537 608154837 /nfs/dbraw/zinc/15/48/37/608154837.db2.gz AIABKIIKKZYDLR-KRWDZBQOSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000825434537 608154838 /nfs/dbraw/zinc/15/48/38/608154838.db2.gz AIABKIIKKZYDLR-KRWDZBQOSA-N -1 3 385.855 3.256 20 0 GGADHM CCN(Cc1ccc2ccccc2c1)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435274 608154985 /nfs/dbraw/zinc/15/49/85/608154985.db2.gz RSUHGMKZWHVNJY-FQEVSTJZSA-N -1 3 386.459 3.068 20 0 GGADHM C[C@@H]1OCC[C@@H]1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825014953 608158372 /nfs/dbraw/zinc/15/83/72/608158372.db2.gz YMAIOVYHZVHINJ-BBRMVZONSA-N -1 3 397.866 3.478 20 0 GGADHM C[C@@H]1OCC[C@@H]1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825014953 608158373 /nfs/dbraw/zinc/15/83/73/608158373.db2.gz YMAIOVYHZVHINJ-BBRMVZONSA-N -1 3 397.866 3.478 20 0 GGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000825021637 608160082 /nfs/dbraw/zinc/16/00/82/608160082.db2.gz RRJBTGQLULIZKT-DGCLKSJQSA-N -1 3 383.383 3.162 20 0 GGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000825021637 608160083 /nfs/dbraw/zinc/16/00/83/608160083.db2.gz RRJBTGQLULIZKT-DGCLKSJQSA-N -1 3 383.383 3.162 20 0 GGADHM Cc1nc([C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)c2ccc(Cl)cc2)no1 ZINC000826324621 608160487 /nfs/dbraw/zinc/16/04/87/608160487.db2.gz YKPWKJHPDRAYTI-INIZCTEOSA-N -1 3 399.817 3.230 20 0 GGADHM Cc1nc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)c2ccc(Cl)cc2)no1 ZINC000826324621 608160489 /nfs/dbraw/zinc/16/04/89/608160489.db2.gz YKPWKJHPDRAYTI-INIZCTEOSA-N -1 3 399.817 3.230 20 0 GGADHM Cc1nc([C@H](NCc2ccc(-c3nnn[n-]3)cc2)c2ccc(Cl)cc2)no1 ZINC000826324371 608160782 /nfs/dbraw/zinc/16/07/82/608160782.db2.gz OIMRRYBGQGMFAR-MRXNPFEDSA-N -1 3 381.827 3.091 20 0 GGADHM Cc1nc([C@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccc(Cl)cc2)no1 ZINC000826324371 608160783 /nfs/dbraw/zinc/16/07/83/608160783.db2.gz OIMRRYBGQGMFAR-MRXNPFEDSA-N -1 3 381.827 3.091 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826438417 608161278 /nfs/dbraw/zinc/16/12/78/608161278.db2.gz BTFIITDGXQDFOF-UHFFFAOYSA-N -1 3 397.866 3.038 20 0 GGADHM Cc1cccc(C2=CCN(C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826296870 608163642 /nfs/dbraw/zinc/16/36/42/608163642.db2.gz MNTALFORAORXMY-INIZCTEOSA-N -1 3 389.459 3.258 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(Cc2ccc(F)cc2)CC1 ZINC000826402030 608164045 /nfs/dbraw/zinc/16/40/45/608164045.db2.gz LOZHIEIIWAFUJA-JXMROGBWSA-N -1 3 377.423 3.158 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(Cc2ccc(F)cc2)CC1 ZINC000826402030 608164046 /nfs/dbraw/zinc/16/40/46/608164046.db2.gz LOZHIEIIWAFUJA-JXMROGBWSA-N -1 3 377.423 3.158 20 0 GGADHM O=C(N[C@H]1CC12CCCCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429222 608165861 /nfs/dbraw/zinc/16/58/61/608165861.db2.gz XBAYPZATXJAIIX-SFHVURJKSA-N -1 3 378.480 3.388 20 0 GGADHM O=C(N[C@H]1CC12CCCCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429222 608165863 /nfs/dbraw/zinc/16/58/63/608165863.db2.gz XBAYPZATXJAIIX-SFHVURJKSA-N -1 3 378.480 3.388 20 0 GGADHM CC[C@@]1(C)COCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825164637 608167223 /nfs/dbraw/zinc/16/72/23/608167223.db2.gz FGPABJUMOOLIPG-NRFANRHFSA-N -1 3 393.447 3.300 20 0 GGADHM CC[C@@]1(C)COCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825164637 608167225 /nfs/dbraw/zinc/16/72/25/608167225.db2.gz FGPABJUMOOLIPG-NRFANRHFSA-N -1 3 393.447 3.300 20 0 GGADHM Cc1cc([C@H]2CN(Cc3cn4ccccc4c3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266517 608172799 /nfs/dbraw/zinc/17/27/99/608172799.db2.gz RCHPHDVRDVQGOJ-LJQANCHMSA-N -1 3 392.438 3.140 20 0 GGADHM Cc1cc([C@H]2CN(Cc3cn4ccccc4c3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266517 608172801 /nfs/dbraw/zinc/17/28/01/608172801.db2.gz RCHPHDVRDVQGOJ-LJQANCHMSA-N -1 3 392.438 3.140 20 0 GGADHM CCn1c(NC(=O)c2cc3occc3s2)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825793435 608174551 /nfs/dbraw/zinc/17/45/51/608174551.db2.gz VDYUOUMTVIQYTN-UHFFFAOYSA-N -1 3 379.405 3.296 20 0 GGADHM CCn1c(NC(=O)c2cc3occc3s2)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825793435 608174552 /nfs/dbraw/zinc/17/45/52/608174552.db2.gz VDYUOUMTVIQYTN-UHFFFAOYSA-N -1 3 379.405 3.296 20 0 GGADHM CCC(=O)c1ccc(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000825034795 608176934 /nfs/dbraw/zinc/17/69/34/608176934.db2.gz QCVNEJQCVHRORH-UHFFFAOYSA-N -1 3 389.419 3.081 20 0 GGADHM CCC(=O)c1ccc(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000825034795 608176935 /nfs/dbraw/zinc/17/69/35/608176935.db2.gz QCVNEJQCVHRORH-UHFFFAOYSA-N -1 3 389.419 3.081 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(C)(C)c1cccc(F)c1 ZINC000825788009 608177266 /nfs/dbraw/zinc/17/72/66/608177266.db2.gz MZVKGQYYYYZLEM-UHFFFAOYSA-N -1 3 393.426 3.292 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(C)(C)c1cccc(F)c1 ZINC000825788009 608177268 /nfs/dbraw/zinc/17/72/68/608177268.db2.gz MZVKGQYYYYZLEM-UHFFFAOYSA-N -1 3 393.426 3.292 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCc1ccc(F)cc1F ZINC000825788652 608177433 /nfs/dbraw/zinc/17/74/33/608177433.db2.gz SYUITFKDGPYQCE-UHFFFAOYSA-N -1 3 397.389 3.086 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCc1ccc(F)cc1F ZINC000825788652 608177434 /nfs/dbraw/zinc/17/74/34/608177434.db2.gz SYUITFKDGPYQCE-UHFFFAOYSA-N -1 3 397.389 3.086 20 0 GGADHM CC[C@H](C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)c1ccccc1 ZINC000825039783 608178029 /nfs/dbraw/zinc/17/80/29/608178029.db2.gz WEEAZNNRLNUNMJ-HNNXBMFYSA-N -1 3 375.436 3.369 20 0 GGADHM CC[C@H](C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)c1ccccc1 ZINC000825039783 608178030 /nfs/dbraw/zinc/17/80/30/608178030.db2.gz WEEAZNNRLNUNMJ-HNNXBMFYSA-N -1 3 375.436 3.369 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C1CCC(F)(F)CC1 ZINC000825787927 608178347 /nfs/dbraw/zinc/17/83/47/608178347.db2.gz MBYSEEPKLGYSLL-UHFFFAOYSA-N -1 3 375.383 3.000 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C1CCC(F)(F)CC1 ZINC000825787927 608178348 /nfs/dbraw/zinc/17/83/48/608178348.db2.gz MBYSEEPKLGYSLL-UHFFFAOYSA-N -1 3 375.383 3.000 20 0 GGADHM Fc1ccccc1-c1nnc2ccc(Sc3ccc(-c4nnn[n-]4)cc3)nn21 ZINC000826378064 608179311 /nfs/dbraw/zinc/17/93/11/608179311.db2.gz SUNCHEUUPGNINK-UHFFFAOYSA-N -1 3 390.407 3.262 20 0 GGADHM Fc1ccccc1-c1nnc2ccc(Sc3ccc(-c4nn[n-]n4)cc3)nn21 ZINC000826378064 608179312 /nfs/dbraw/zinc/17/93/12/608179312.db2.gz SUNCHEUUPGNINK-UHFFFAOYSA-N -1 3 390.407 3.262 20 0 GGADHM O=C(COC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826414808 608181697 /nfs/dbraw/zinc/18/16/97/608181697.db2.gz IRBVLBHXTUYUKS-UHFFFAOYSA-N -1 3 396.834 3.269 20 0 GGADHM O=C(COC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826414808 608181701 /nfs/dbraw/zinc/18/17/01/608181701.db2.gz IRBVLBHXTUYUKS-UHFFFAOYSA-N -1 3 396.834 3.269 20 0 GGADHM C[C@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713907 608182756 /nfs/dbraw/zinc/18/27/56/608182756.db2.gz KZEFAVUFJKZLIW-LBPRGKRZSA-N -1 3 395.394 3.029 20 0 GGADHM C[C@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713907 608182757 /nfs/dbraw/zinc/18/27/57/608182757.db2.gz KZEFAVUFJKZLIW-LBPRGKRZSA-N -1 3 395.394 3.029 20 0 GGADHM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713505 608184858 /nfs/dbraw/zinc/18/48/58/608184858.db2.gz IVNZKGQETQVRRS-CQSZACIVSA-N -1 3 396.422 3.358 20 0 GGADHM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713505 608184860 /nfs/dbraw/zinc/18/48/60/608184860.db2.gz IVNZKGQETQVRRS-CQSZACIVSA-N -1 3 396.422 3.358 20 0 GGADHM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825242085 608185190 /nfs/dbraw/zinc/18/51/90/608185190.db2.gz HZWGPYUETBZLPN-IUODEOHRSA-N -1 3 389.456 3.164 20 0 GGADHM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825242085 608185191 /nfs/dbraw/zinc/18/51/91/608185191.db2.gz HZWGPYUETBZLPN-IUODEOHRSA-N -1 3 389.456 3.164 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000825313303 608188401 /nfs/dbraw/zinc/18/84/01/608188401.db2.gz ACYGVKGYWBWPNV-OXJNMPFZSA-N -1 3 393.491 3.078 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000825313303 608188402 /nfs/dbraw/zinc/18/84/02/608188402.db2.gz ACYGVKGYWBWPNV-OXJNMPFZSA-N -1 3 393.491 3.078 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826289053 608190390 /nfs/dbraw/zinc/19/03/90/608190390.db2.gz IKNOXGBAOWEAEQ-UHFFFAOYSA-N -1 3 393.838 3.149 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826289053 608190391 /nfs/dbraw/zinc/19/03/91/608190391.db2.gz IKNOXGBAOWEAEQ-UHFFFAOYSA-N -1 3 393.838 3.149 20 0 GGADHM Fc1ccccc1-c1nnc2ccc(Sc3cccc(-c4nnn[n-]4)c3)nn21 ZINC000826377721 608191093 /nfs/dbraw/zinc/19/10/93/608191093.db2.gz CROJCJYZYOZHSR-UHFFFAOYSA-N -1 3 390.407 3.262 20 0 GGADHM Fc1ccccc1-c1nnc2ccc(Sc3cccc(-c4nn[n-]n4)c3)nn21 ZINC000826377721 608191094 /nfs/dbraw/zinc/19/10/94/608191094.db2.gz CROJCJYZYOZHSR-UHFFFAOYSA-N -1 3 390.407 3.262 20 0 GGADHM C[C@H](c1ccncc1)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824779807 608191652 /nfs/dbraw/zinc/19/16/52/608191652.db2.gz WUDDZHGAJPIGRJ-SNVBAGLBSA-N -1 3 390.904 3.009 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826443995 608192669 /nfs/dbraw/zinc/19/26/69/608192669.db2.gz MQSGAZKKCIBSJK-DLBZAZTESA-N -1 3 391.479 3.089 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826443995 608192672 /nfs/dbraw/zinc/19/26/72/608192672.db2.gz MQSGAZKKCIBSJK-DLBZAZTESA-N -1 3 391.479 3.089 20 0 GGADHM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271332 608196827 /nfs/dbraw/zinc/19/68/27/608196827.db2.gz NKBMSYBIUPPPFN-KBPBESRZSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271332 608196828 /nfs/dbraw/zinc/19/68/28/608196828.db2.gz NKBMSYBIUPPPFN-KBPBESRZSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826277501 608197151 /nfs/dbraw/zinc/19/71/51/608197151.db2.gz WOJYCUCBYGLMIP-AWEZNQCLSA-N -1 3 378.219 3.154 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826277501 608197153 /nfs/dbraw/zinc/19/71/53/608197153.db2.gz WOJYCUCBYGLMIP-AWEZNQCLSA-N -1 3 378.219 3.154 20 0 GGADHM CCCCNc1ccccc1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825290679 608198607 /nfs/dbraw/zinc/19/86/07/608198607.db2.gz DYKMEYZIOKRSKL-UHFFFAOYSA-N -1 3 380.452 3.017 20 0 GGADHM CCCCNc1ccccc1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825290679 608198609 /nfs/dbraw/zinc/19/86/09/608198609.db2.gz DYKMEYZIOKRSKL-UHFFFAOYSA-N -1 3 380.452 3.017 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1 ZINC000825332313 608200143 /nfs/dbraw/zinc/20/01/43/608200143.db2.gz GTDRRZCMMPCYDW-AUUYWEPGSA-N -1 3 394.479 3.100 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824072195 608206044 /nfs/dbraw/zinc/20/60/44/608206044.db2.gz STGBBYVWJFWYAH-GXFFZTMASA-N -1 3 398.294 3.497 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824072195 608206045 /nfs/dbraw/zinc/20/60/45/608206045.db2.gz STGBBYVWJFWYAH-GXFFZTMASA-N -1 3 398.294 3.497 20 0 GGADHM CCOc1ccc(OCCCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825643998 608208634 /nfs/dbraw/zinc/20/86/34/608208634.db2.gz ZMMDPDKAQSANLM-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM CCOc1ccc(OCCCC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825643998 608208635 /nfs/dbraw/zinc/20/86/35/608208635.db2.gz ZMMDPDKAQSANLM-UHFFFAOYSA-N -1 3 382.420 3.168 20 0 GGADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1OC(F)F ZINC000824522437 608210508 /nfs/dbraw/zinc/21/05/08/608210508.db2.gz SRVSYXOLPCNOJF-MRVPVSSYSA-N -1 3 394.769 3.008 20 0 GGADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1OC(F)F ZINC000824522437 608210510 /nfs/dbraw/zinc/21/05/10/608210510.db2.gz SRVSYXOLPCNOJF-MRVPVSSYSA-N -1 3 394.769 3.008 20 0 GGADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825985894 608223819 /nfs/dbraw/zinc/22/38/19/608223819.db2.gz FCNULWGEZPHFAY-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825985894 608223820 /nfs/dbraw/zinc/22/38/20/608223820.db2.gz FCNULWGEZPHFAY-UHFFFAOYSA-N -1 3 382.431 3.237 20 0 GGADHM c1cc(N2CCCCC2)ncc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826516832 608224322 /nfs/dbraw/zinc/22/43/22/608224322.db2.gz DJXIYOPIPDSZDU-UHFFFAOYSA-N -1 3 386.463 3.412 20 0 GGADHM c1cc(N2CCCCC2)ncc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826516832 608224324 /nfs/dbraw/zinc/22/43/24/608224324.db2.gz DJXIYOPIPDSZDU-UHFFFAOYSA-N -1 3 386.463 3.412 20 0 GGADHM CC(C)c1nc([C@@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)no1 ZINC000824358424 608224962 /nfs/dbraw/zinc/22/49/62/608224962.db2.gz JNQXJPRLPYKOCT-OAHLLOKOSA-N -1 3 390.451 3.305 20 0 GGADHM CC(C)c1nc([C@@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)no1 ZINC000824358424 608224964 /nfs/dbraw/zinc/22/49/64/608224964.db2.gz JNQXJPRLPYKOCT-OAHLLOKOSA-N -1 3 390.451 3.305 20 0 GGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000826264808 608226503 /nfs/dbraw/zinc/22/65/03/608226503.db2.gz BDCVQHWZFANASN-GOSISDBHSA-N -1 3 388.479 3.287 20 0 GGADHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000826264808 608226505 /nfs/dbraw/zinc/22/65/05/608226505.db2.gz BDCVQHWZFANASN-GOSISDBHSA-N -1 3 388.479 3.287 20 0 GGADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2c(c1)CC(=O)N2C ZINC000824657921 608226656 /nfs/dbraw/zinc/22/66/56/608226656.db2.gz SNQPEVADITZIEL-LBPRGKRZSA-N -1 3 385.431 3.107 20 0 GGADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2c(c1)CC(=O)N2C ZINC000824657921 608226658 /nfs/dbraw/zinc/22/66/58/608226658.db2.gz SNQPEVADITZIEL-LBPRGKRZSA-N -1 3 385.431 3.107 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826333652 608227321 /nfs/dbraw/zinc/22/73/21/608227321.db2.gz PTZDPONYBNNHDB-OAHLLOKOSA-N -1 3 394.870 3.452 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826333652 608227323 /nfs/dbraw/zinc/22/73/23/608227323.db2.gz PTZDPONYBNNHDB-OAHLLOKOSA-N -1 3 394.870 3.452 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000824324616 608228047 /nfs/dbraw/zinc/22/80/47/608228047.db2.gz RSBOUGKZGAARER-IBGZPJMESA-N -1 3 390.447 3.348 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000824324616 608228048 /nfs/dbraw/zinc/22/80/48/608228048.db2.gz RSBOUGKZGAARER-IBGZPJMESA-N -1 3 390.447 3.348 20 0 GGADHM C[C@](O)(CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(F)cc1F ZINC000824678850 608228646 /nfs/dbraw/zinc/22/86/46/608228646.db2.gz PQPOPGHSONJPDH-IBGZPJMESA-N -1 3 382.374 3.013 20 0 GGADHM C[C@](O)(CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(F)cc1F ZINC000824678850 608228647 /nfs/dbraw/zinc/22/86/47/608228647.db2.gz PQPOPGHSONJPDH-IBGZPJMESA-N -1 3 382.374 3.013 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824163071 608229527 /nfs/dbraw/zinc/22/95/27/608229527.db2.gz XRVSOXXDHDFBAZ-UHFFFAOYSA-N -1 3 383.456 3.130 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824163071 608229529 /nfs/dbraw/zinc/22/95/29/608229529.db2.gz XRVSOXXDHDFBAZ-UHFFFAOYSA-N -1 3 383.456 3.130 20 0 GGADHM COc1ccccc1O[C@@H](C)CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826220172 608230368 /nfs/dbraw/zinc/23/03/68/608230368.db2.gz FFSOIZGZGIHNPN-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM COc1ccccc1O[C@@H](C)CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826220172 608230370 /nfs/dbraw/zinc/23/03/70/608230370.db2.gz FFSOIZGZGIHNPN-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM FC(F)(F)c1nn(CCCOc2cccc(-c3nnn[n-]3)c2)c2ccncc21 ZINC000826368801 608230871 /nfs/dbraw/zinc/23/08/71/608230871.db2.gz BQIDGFKWRHZEQG-UHFFFAOYSA-N -1 3 389.341 3.099 20 0 GGADHM FC(F)(F)c1nn(CCCOc2cccc(-c3nn[n-]n3)c2)c2ccncc21 ZINC000826368801 608230873 /nfs/dbraw/zinc/23/08/73/608230873.db2.gz BQIDGFKWRHZEQG-UHFFFAOYSA-N -1 3 389.341 3.099 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824100535 608232723 /nfs/dbraw/zinc/23/27/23/608232723.db2.gz UAWBQOSYLJUNPR-CQSZACIVSA-N -1 3 394.479 3.363 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000824100535 608232725 /nfs/dbraw/zinc/23/27/25/608232725.db2.gz UAWBQOSYLJUNPR-CQSZACIVSA-N -1 3 394.479 3.363 20 0 GGADHM c1ccc(-c2nnc(CCNc3ccc4cc(-c5nnn[n-]5)ccc4n3)o2)cc1 ZINC000826519041 608232934 /nfs/dbraw/zinc/23/29/34/608232934.db2.gz HSYITFWISRCCOI-UHFFFAOYSA-N -1 3 384.403 3.120 20 0 GGADHM c1ccc(-c2nnc(CCNc3ccc4cc(-c5nn[n-]n5)ccc4n3)o2)cc1 ZINC000826519041 608232936 /nfs/dbraw/zinc/23/29/36/608232936.db2.gz HSYITFWISRCCOI-UHFFFAOYSA-N -1 3 384.403 3.120 20 0 GGADHM Cc1nc(-c2cc3c(s2)CCN(c2ccc(-c4nnn[n-]4)nc2)C3)cs1 ZINC000826322678 608236916 /nfs/dbraw/zinc/23/69/16/608236916.db2.gz XJCVOOASPWSZCI-UHFFFAOYSA-N -1 3 381.490 3.318 20 0 GGADHM Cc1nc(-c2cc3c(s2)CCN(c2ccc(-c4nn[n-]n4)nc2)C3)cs1 ZINC000826322678 608236917 /nfs/dbraw/zinc/23/69/17/608236917.db2.gz XJCVOOASPWSZCI-UHFFFAOYSA-N -1 3 381.490 3.318 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000826190186 608239928 /nfs/dbraw/zinc/23/99/28/608239928.db2.gz SMTGNQXZPNSEBA-BMLIUANNSA-N -1 3 375.379 3.342 20 0 GGADHM COc1ccc([C@H](OC)[C@@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000826190186 608239930 /nfs/dbraw/zinc/23/99/30/608239930.db2.gz SMTGNQXZPNSEBA-BMLIUANNSA-N -1 3 375.379 3.342 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826456268 608240454 /nfs/dbraw/zinc/24/04/54/608240454.db2.gz WZOYLGBZTOZSMC-SFHVURJKSA-N -1 3 389.394 3.312 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826456268 608240455 /nfs/dbraw/zinc/24/04/55/608240455.db2.gz WZOYLGBZTOZSMC-SFHVURJKSA-N -1 3 389.394 3.312 20 0 GGADHM CCc1ccc(C2=CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825705096 608246489 /nfs/dbraw/zinc/24/64/89/608246489.db2.gz VZUJOJNTOMKNDW-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM CCc1ccc(C2=CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825705096 608246491 /nfs/dbraw/zinc/24/64/91/608246491.db2.gz VZUJOJNTOMKNDW-UHFFFAOYSA-N -1 3 389.459 3.124 20 0 GGADHM COc1ccc2c(c1)CCCCN2C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826212237 608251366 /nfs/dbraw/zinc/25/13/66/608251366.db2.gz KRHNQCVQEBKADZ-UHFFFAOYSA-N -1 3 377.448 3.177 20 0 GGADHM COc1ccc2c(c1)CCCCN2C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826212237 608251368 /nfs/dbraw/zinc/25/13/68/608251368.db2.gz KRHNQCVQEBKADZ-UHFFFAOYSA-N -1 3 377.448 3.177 20 0 GGADHM Cc1cccnc1COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826308229 608253234 /nfs/dbraw/zinc/25/32/34/608253234.db2.gz PHCVFUUHRICZQI-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM Cc1cccnc1COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826308229 608253237 /nfs/dbraw/zinc/25/32/37/608253237.db2.gz PHCVFUUHRICZQI-UHFFFAOYSA-N -1 3 391.387 3.099 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@@H](c1ccccc1)C1CC1 ZINC000826443805 608254787 /nfs/dbraw/zinc/25/47/87/608254787.db2.gz DYBIIQJUKKCAIG-FQEVSTJZSA-N -1 3 399.458 3.067 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@@H](c1ccccc1)C1CC1 ZINC000826443805 608254788 /nfs/dbraw/zinc/25/47/88/608254788.db2.gz DYBIIQJUKKCAIG-FQEVSTJZSA-N -1 3 399.458 3.067 20 0 GGADHM Cn1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826358960 608258734 /nfs/dbraw/zinc/25/87/34/608258734.db2.gz PLUZOKYRMGSTML-UHFFFAOYSA-N -1 3 379.811 3.173 20 0 GGADHM Cn1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826358960 608258735 /nfs/dbraw/zinc/25/87/35/608258735.db2.gz PLUZOKYRMGSTML-UHFFFAOYSA-N -1 3 379.811 3.173 20 0 GGADHM O=C(C=C1CCSCC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826400338 608259704 /nfs/dbraw/zinc/25/97/04/608259704.db2.gz WGTMVEHWFPPSJE-UHFFFAOYSA-N -1 3 398.517 3.306 20 0 GGADHM O=C(C=C1CCSCC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826400338 608259706 /nfs/dbraw/zinc/25/97/06/608259706.db2.gz WGTMVEHWFPPSJE-UHFFFAOYSA-N -1 3 398.517 3.306 20 0 GGADHM CC(C)(C)n1cc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000824152847 608264737 /nfs/dbraw/zinc/26/47/37/608264737.db2.gz PULWXHVNIDYXIT-UHFFFAOYSA-N -1 3 392.467 3.139 20 0 GGADHM CC(C)(C)n1cc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000824152847 608264738 /nfs/dbraw/zinc/26/47/38/608264738.db2.gz PULWXHVNIDYXIT-UHFFFAOYSA-N -1 3 392.467 3.139 20 0 GGADHM Cc1c(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC000826241899 608270217 /nfs/dbraw/zinc/27/02/17/608270217.db2.gz SSWVPNNSKSVSKH-CRAIPNDOSA-N -1 3 378.436 3.074 20 0 GGADHM Cc1c(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC000826241899 608270219 /nfs/dbraw/zinc/27/02/19/608270219.db2.gz SSWVPNNSKSVSKH-CRAIPNDOSA-N -1 3 378.436 3.074 20 0 GGADHM CCCC(=O)Nc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000825224732 608275336 /nfs/dbraw/zinc/27/53/36/608275336.db2.gz CHCCKAKNMXKIMY-UHFFFAOYSA-N -1 3 391.479 3.491 20 0 GGADHM CCCC(=O)Nc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000825224732 608275338 /nfs/dbraw/zinc/27/53/38/608275338.db2.gz CHCCKAKNMXKIMY-UHFFFAOYSA-N -1 3 391.479 3.491 20 0 GGADHM CCCC(=O)Nc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000825225055 608275431 /nfs/dbraw/zinc/27/54/31/608275431.db2.gz KIJPTWDBRDVLDY-UHFFFAOYSA-N -1 3 391.479 3.491 20 0 GGADHM CCCC(=O)Nc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000825225055 608275433 /nfs/dbraw/zinc/27/54/33/608275433.db2.gz KIJPTWDBRDVLDY-UHFFFAOYSA-N -1 3 391.479 3.491 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NCC2(NC(=O)OC(C)(C)C)CCCCC2)n1 ZINC000826275474 608281795 /nfs/dbraw/zinc/28/17/95/608281795.db2.gz ARNKJXJYGILUBG-UHFFFAOYSA-N -1 3 387.488 3.210 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NCC2(NC(=O)OC(C)(C)C)CCCCC2)n1 ZINC000826275474 608281797 /nfs/dbraw/zinc/28/17/97/608281797.db2.gz ARNKJXJYGILUBG-UHFFFAOYSA-N -1 3 387.488 3.210 20 0 GGADHM Cc1nnc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)s1 ZINC000826335418 608290194 /nfs/dbraw/zinc/29/01/94/608290194.db2.gz MHVFPXFLFAXMOF-UHFFFAOYSA-N -1 3 397.439 3.357 20 0 GGADHM Cc1nnc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)s1 ZINC000826335418 608290196 /nfs/dbraw/zinc/29/01/96/608290196.db2.gz MHVFPXFLFAXMOF-UHFFFAOYSA-N -1 3 397.439 3.357 20 0 GGADHM O[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1c(F)cccc1Cl ZINC000826503716 608290225 /nfs/dbraw/zinc/29/02/25/608290225.db2.gz DHDKZDNVBKDJHX-HNNXBMFYSA-N -1 3 388.834 3.079 20 0 GGADHM O[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1c(F)cccc1Cl ZINC000826503716 608290226 /nfs/dbraw/zinc/29/02/26/608290226.db2.gz DHDKZDNVBKDJHX-HNNXBMFYSA-N -1 3 388.834 3.079 20 0 GGADHM Cc1nnc(CSc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)s1 ZINC000826335752 608290382 /nfs/dbraw/zinc/29/03/82/608290382.db2.gz AHEHVXDOSTYCPL-UHFFFAOYSA-N -1 3 397.489 3.463 20 0 GGADHM C[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000824999570 608290770 /nfs/dbraw/zinc/29/07/70/608290770.db2.gz HZMLVJDKQFHFPY-DJJJIMSYSA-N -1 3 394.454 3.246 20 0 GGADHM C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000824999570 608290772 /nfs/dbraw/zinc/29/07/72/608290772.db2.gz HZMLVJDKQFHFPY-DJJJIMSYSA-N -1 3 394.454 3.246 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)Oc2ccccc2Br)n1 ZINC000826275542 608294153 /nfs/dbraw/zinc/29/41/53/608294153.db2.gz CJURIFUFGAMQAK-NSHDSACASA-N -1 3 389.257 3.212 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](C)Oc2ccccc2Br)n1 ZINC000826275542 608294155 /nfs/dbraw/zinc/29/41/55/608294155.db2.gz CJURIFUFGAMQAK-NSHDSACASA-N -1 3 389.257 3.212 20 0 GGADHM Fc1cc(F)c(F)c(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1F ZINC000826372815 608295804 /nfs/dbraw/zinc/29/58/04/608295804.db2.gz MUNBZQWEPHCHNV-UHFFFAOYSA-N -1 3 378.333 3.309 20 0 GGADHM Fc1cc(F)c(F)c(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1F ZINC000826372815 608295806 /nfs/dbraw/zinc/29/58/06/608295806.db2.gz MUNBZQWEPHCHNV-UHFFFAOYSA-N -1 3 378.333 3.309 20 0 GGADHM Cc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)c(OCC(F)(F)F)c1 ZINC000826288694 608295911 /nfs/dbraw/zinc/29/59/11/608295911.db2.gz SERFVOVBYTUKID-UHFFFAOYSA-N -1 3 378.358 3.432 20 0 GGADHM Cc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)c(OCC(F)(F)F)c1 ZINC000826288694 608295912 /nfs/dbraw/zinc/29/59/12/608295912.db2.gz SERFVOVBYTUKID-UHFFFAOYSA-N -1 3 378.358 3.432 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2c1cnn2C(C)(C)C ZINC000825322665 608297808 /nfs/dbraw/zinc/29/78/08/608297808.db2.gz ICOCYFGAURFXIT-UHFFFAOYSA-N -1 3 391.483 3.178 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2c1cnn2C(C)(C)C ZINC000825322665 608297809 /nfs/dbraw/zinc/29/78/09/608297809.db2.gz ICOCYFGAURFXIT-UHFFFAOYSA-N -1 3 391.483 3.178 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826304549 608298523 /nfs/dbraw/zinc/29/85/23/608298523.db2.gz PFHRJROEQYUMMB-JKSUJKDBSA-N -1 3 378.480 3.366 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826304549 608298525 /nfs/dbraw/zinc/29/85/25/608298525.db2.gz PFHRJROEQYUMMB-JKSUJKDBSA-N -1 3 378.480 3.366 20 0 GGADHM C[C@@H](Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000824662102 608299544 /nfs/dbraw/zinc/29/95/44/608299544.db2.gz CIQNVKAVJKFWET-MUDIAHQHSA-N -1 3 382.493 3.051 20 0 GGADHM C[C@@H](Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000824662102 608299545 /nfs/dbraw/zinc/29/95/45/608299545.db2.gz CIQNVKAVJKFWET-MUDIAHQHSA-N -1 3 382.493 3.051 20 0 GGADHM C[C@H](Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000824662100 608299738 /nfs/dbraw/zinc/29/97/38/608299738.db2.gz CIQNVKAVJKFWET-JWNZJDHWSA-N -1 3 382.493 3.051 20 0 GGADHM C[C@H](Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000824662100 608299740 /nfs/dbraw/zinc/29/97/40/608299740.db2.gz CIQNVKAVJKFWET-JWNZJDHWSA-N -1 3 382.493 3.051 20 0 GGADHM Cc1ccsc1CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826316510 608302932 /nfs/dbraw/zinc/30/29/32/608302932.db2.gz QUPKLIWVVLFUEB-UHFFFAOYSA-N -1 3 385.493 3.145 20 0 GGADHM Cc1ccsc1CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826316510 608302934 /nfs/dbraw/zinc/30/29/34/608302934.db2.gz QUPKLIWVVLFUEB-UHFFFAOYSA-N -1 3 385.493 3.145 20 0 GGADHM Cc1scc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826350261 608303292 /nfs/dbraw/zinc/30/32/92/608303292.db2.gz OJMKXMNEECZZGH-UHFFFAOYSA-N -1 3 383.477 3.229 20 0 GGADHM Cc1scc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826350261 608303294 /nfs/dbraw/zinc/30/32/94/608303294.db2.gz OJMKXMNEECZZGH-UHFFFAOYSA-N -1 3 383.477 3.229 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000824906495 608304888 /nfs/dbraw/zinc/30/48/88/608304888.db2.gz CHDKSMMWDAHECK-YJBOKZPZSA-N -1 3 391.475 3.498 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000824906495 608304889 /nfs/dbraw/zinc/30/48/89/608304889.db2.gz CHDKSMMWDAHECK-YJBOKZPZSA-N -1 3 391.475 3.498 20 0 GGADHM Cc1ccc(F)c(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826288903 608305743 /nfs/dbraw/zinc/30/57/43/608305743.db2.gz BJWUOKOQFXTNOU-UHFFFAOYSA-N -1 3 399.401 3.137 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824513618 608310543 /nfs/dbraw/zinc/31/05/43/608310543.db2.gz DHMIPJJRAVPUFE-VHSXEESVSA-N -1 3 378.358 3.136 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824513618 608310545 /nfs/dbraw/zinc/31/05/45/608310545.db2.gz DHMIPJJRAVPUFE-VHSXEESVSA-N -1 3 378.358 3.136 20 0 GGADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000824513785 608310557 /nfs/dbraw/zinc/31/05/57/608310557.db2.gz ILBMJIRJXFOBCH-UWVGGRQHSA-N -1 3 378.358 3.136 20 0 GGADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000824513785 608310559 /nfs/dbraw/zinc/31/05/59/608310559.db2.gz ILBMJIRJXFOBCH-UWVGGRQHSA-N -1 3 378.358 3.136 20 0 GGADHM C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000824480103 608314178 /nfs/dbraw/zinc/31/41/78/608314178.db2.gz SXIFRCBYPAPSRA-LLVKDONJSA-N -1 3 389.431 3.256 20 0 GGADHM C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000824480103 608314180 /nfs/dbraw/zinc/31/41/80/608314180.db2.gz SXIFRCBYPAPSRA-LLVKDONJSA-N -1 3 389.431 3.256 20 0 GGADHM CC(C)c1ccc(C[C@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824450523 608314331 /nfs/dbraw/zinc/31/43/31/608314331.db2.gz XGFOKHTVVCJHOU-HNNXBMFYSA-N -1 3 379.464 3.116 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826420612 608315803 /nfs/dbraw/zinc/31/58/03/608315803.db2.gz UQWSJPBMTJOCRE-QGZVFWFLSA-N -1 3 383.452 3.292 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826420612 608315805 /nfs/dbraw/zinc/31/58/05/608315805.db2.gz UQWSJPBMTJOCRE-QGZVFWFLSA-N -1 3 383.452 3.292 20 0 GGADHM O=C(O[C@@H]1CCC[C@@H]1Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826461678 608319065 /nfs/dbraw/zinc/31/90/65/608319065.db2.gz DAGCWJWTOXYVFV-CXAGYDPISA-N -1 3 383.839 3.483 20 0 GGADHM O=C(O[C@@H]1CCC[C@@H]1Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826461678 608319067 /nfs/dbraw/zinc/31/90/67/608319067.db2.gz DAGCWJWTOXYVFV-CXAGYDPISA-N -1 3 383.839 3.483 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000826170499 608319528 /nfs/dbraw/zinc/31/95/28/608319528.db2.gz CBRZMJJNZRIBDX-UHFFFAOYSA-N -1 3 380.452 3.016 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000826170499 608319531 /nfs/dbraw/zinc/31/95/31/608319531.db2.gz CBRZMJJNZRIBDX-UHFFFAOYSA-N -1 3 380.452 3.016 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(C)c1C(=O)N1CCCC1 ZINC000826170691 608319722 /nfs/dbraw/zinc/31/97/22/608319722.db2.gz LFGHZKUSRGIRTE-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(C)c1C(=O)N1CCCC1 ZINC000826170691 608319724 /nfs/dbraw/zinc/31/97/24/608319724.db2.gz LFGHZKUSRGIRTE-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)c(OC)c(C)c1 ZINC000825793006 608322203 /nfs/dbraw/zinc/32/22/03/608322203.db2.gz IXUJCWYZZSTZEL-UHFFFAOYSA-N -1 3 391.435 3.114 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)c(OC)c(C)c1 ZINC000825793006 608322205 /nfs/dbraw/zinc/32/22/05/608322205.db2.gz IXUJCWYZZSTZEL-UHFFFAOYSA-N -1 3 391.435 3.114 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cnc2ccccn21 ZINC000826441206 608328584 /nfs/dbraw/zinc/32/85/84/608328584.db2.gz TZBXGENDUBRPBN-UHFFFAOYSA-N -1 3 395.426 3.111 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cnc2ccccn21 ZINC000826441206 608328586 /nfs/dbraw/zinc/32/85/86/608328586.db2.gz TZBXGENDUBRPBN-UHFFFAOYSA-N -1 3 395.426 3.111 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824040354 608329268 /nfs/dbraw/zinc/32/92/68/608329268.db2.gz OLBNIKUCYZULCX-NSHDSACASA-N -1 3 375.354 3.348 20 0 GGADHM C[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824040354 608329269 /nfs/dbraw/zinc/32/92/69/608329269.db2.gz OLBNIKUCYZULCX-NSHDSACASA-N -1 3 375.354 3.348 20 0 GGADHM CC(C)CC[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824243997 608331017 /nfs/dbraw/zinc/33/10/17/608331017.db2.gz OXBAPGQSYLZUJK-CXAGYDPISA-N -1 3 395.504 3.030 20 0 GGADHM CC(C)CC[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824243997 608331019 /nfs/dbraw/zinc/33/10/19/608331019.db2.gz OXBAPGQSYLZUJK-CXAGYDPISA-N -1 3 395.504 3.030 20 0 GGADHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1OCC(C)C ZINC000826177664 608333283 /nfs/dbraw/zinc/33/32/83/608333283.db2.gz QAZGCIWEFDAPTG-UHFFFAOYSA-N -1 3 382.420 3.267 20 0 GGADHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(C)C ZINC000826177664 608333284 /nfs/dbraw/zinc/33/32/84/608333284.db2.gz QAZGCIWEFDAPTG-UHFFFAOYSA-N -1 3 382.420 3.267 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cnn1CC(C)C ZINC000826234731 608334906 /nfs/dbraw/zinc/33/49/06/608334906.db2.gz LMSNGMZFYHKSJO-UHFFFAOYSA-N -1 3 383.456 3.067 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cnn1CC(C)C ZINC000826234731 608334908 /nfs/dbraw/zinc/33/49/08/608334908.db2.gz LMSNGMZFYHKSJO-UHFFFAOYSA-N -1 3 383.456 3.067 20 0 GGADHM CCN(C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367955 608341746 /nfs/dbraw/zinc/34/17/46/608341746.db2.gz YHGCTANOTJQCOI-KRWDZBQOSA-N -1 3 396.838 3.066 20 0 GGADHM CCN(C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367955 608341748 /nfs/dbraw/zinc/34/17/48/608341748.db2.gz YHGCTANOTJQCOI-KRWDZBQOSA-N -1 3 396.838 3.066 20 0 GGADHM CCN(C(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362069 608343126 /nfs/dbraw/zinc/34/31/26/608343126.db2.gz IOKZRCWVZYCKGZ-LLVKDONJSA-N -1 3 389.818 3.480 20 0 GGADHM CCN(C(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362069 608343128 /nfs/dbraw/zinc/34/31/28/608343128.db2.gz IOKZRCWVZYCKGZ-LLVKDONJSA-N -1 3 389.818 3.480 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(C)nc2ccccc21 ZINC000826171964 608344093 /nfs/dbraw/zinc/34/40/93/608344093.db2.gz HFRCYBYQWGVMLN-UHFFFAOYSA-N -1 3 375.388 3.089 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(C)nc2ccccc21 ZINC000826171964 608344095 /nfs/dbraw/zinc/34/40/95/608344095.db2.gz HFRCYBYQWGVMLN-UHFFFAOYSA-N -1 3 375.388 3.089 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccc2ccccc2c1 ZINC000826172243 608344595 /nfs/dbraw/zinc/34/45/95/608344595.db2.gz VKDIYRRFCXCHQE-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccc2ccccc2c1 ZINC000826172243 608344596 /nfs/dbraw/zinc/34/45/96/608344596.db2.gz VKDIYRRFCXCHQE-UHFFFAOYSA-N -1 3 390.399 3.151 20 0 GGADHM CCN(C(=O)CSC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371196 608345119 /nfs/dbraw/zinc/34/51/19/608345119.db2.gz DLGGQXLCNVCFJA-ZDUSSCGKSA-N -1 3 395.916 3.175 20 0 GGADHM CCN(C(=O)CSC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371196 608345120 /nfs/dbraw/zinc/34/51/20/608345120.db2.gz DLGGQXLCNVCFJA-ZDUSSCGKSA-N -1 3 395.916 3.175 20 0 GGADHM CCN(C(=O)c1ccc(C(C)=O)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379250 608345471 /nfs/dbraw/zinc/34/54/71/608345471.db2.gz DMHFOLMWTQZJFT-UHFFFAOYSA-N -1 3 375.841 3.451 20 0 GGADHM CCN(C(=O)c1ccc(C(C)=O)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379250 608345474 /nfs/dbraw/zinc/34/54/74/608345474.db2.gz DMHFOLMWTQZJFT-UHFFFAOYSA-N -1 3 375.841 3.451 20 0 GGADHM Cc1ccc2c(c1)CCN2C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826293999 608346031 /nfs/dbraw/zinc/34/60/31/608346031.db2.gz GNWWDGXNVLXZKS-UHFFFAOYSA-N -1 3 394.504 3.181 20 0 GGADHM Cc1ccc2c(c1)CCN2C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826293999 608346033 /nfs/dbraw/zinc/34/60/33/608346033.db2.gz GNWWDGXNVLXZKS-UHFFFAOYSA-N -1 3 394.504 3.181 20 0 GGADHM CCN(C(=O)c1ccc(Cn2cccn2)o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386143 608347435 /nfs/dbraw/zinc/34/74/35/608347435.db2.gz ZBFJVBSMWLMZHN-UHFFFAOYSA-N -1 3 397.826 3.025 20 0 GGADHM CCN(C(=O)c1ccc(Cn2cccn2)o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386143 608347437 /nfs/dbraw/zinc/34/74/37/608347437.db2.gz ZBFJVBSMWLMZHN-UHFFFAOYSA-N -1 3 397.826 3.025 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000824497956 608351198 /nfs/dbraw/zinc/35/11/98/608351198.db2.gz AUWYDKUZYDYNCT-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000824497956 608351200 /nfs/dbraw/zinc/35/12/00/608351200.db2.gz AUWYDKUZYDYNCT-HNNXBMFYSA-N -1 3 399.458 3.489 20 0 GGADHM COc1ccc(OC)c(CN(Cc2ccc(-c3nnn[n-]3)cc2OC)C2CC2)c1 ZINC000826211077 608353708 /nfs/dbraw/zinc/35/37/08/608353708.db2.gz OKUMQKTWABSHPQ-UHFFFAOYSA-N -1 3 395.463 3.057 20 0 GGADHM COc1ccc(OC)c(CN(Cc2ccc(-c3nn[n-]n3)cc2OC)C2CC2)c1 ZINC000826211077 608353710 /nfs/dbraw/zinc/35/37/10/608353710.db2.gz OKUMQKTWABSHPQ-UHFFFAOYSA-N -1 3 395.463 3.057 20 0 GGADHM Cc1ccsc1CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826316719 608355679 /nfs/dbraw/zinc/35/56/79/608355679.db2.gz WSHCLMAIOGQCST-UHFFFAOYSA-N -1 3 382.493 3.153 20 0 GGADHM Cc1ccsc1CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826316719 608355681 /nfs/dbraw/zinc/35/56/81/608355681.db2.gz WSHCLMAIOGQCST-UHFFFAOYSA-N -1 3 382.493 3.153 20 0 GGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826214626 608363748 /nfs/dbraw/zinc/36/37/48/608363748.db2.gz RLRYTDNSUGOCBZ-UKTHLTGXSA-N -1 3 380.404 3.031 20 0 GGADHM COc1cccc(C(C)=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826214626 608363749 /nfs/dbraw/zinc/36/37/49/608363749.db2.gz RLRYTDNSUGOCBZ-UKTHLTGXSA-N -1 3 380.404 3.031 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cc(-c2ccccc2)no1 ZINC000826305486 608366164 /nfs/dbraw/zinc/36/61/64/608366164.db2.gz YGNBWTXJIWKOJO-UHFFFAOYSA-N -1 3 383.415 3.412 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cc(-c2ccccc2)no1 ZINC000826305486 608366165 /nfs/dbraw/zinc/36/61/65/608366165.db2.gz YGNBWTXJIWKOJO-UHFFFAOYSA-N -1 3 383.415 3.412 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000826374843 608377857 /nfs/dbraw/zinc/37/78/57/608377857.db2.gz NXNQVXMGYVCYBA-SNVBAGLBSA-N -1 3 398.833 3.315 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000826374843 608377859 /nfs/dbraw/zinc/37/78/59/608377859.db2.gz NXNQVXMGYVCYBA-SNVBAGLBSA-N -1 3 398.833 3.315 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823967892 608381841 /nfs/dbraw/zinc/38/18/41/608381841.db2.gz SIDRAMJMAXEHLE-CYBMUJFWSA-N -1 3 395.488 3.256 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823967892 608381843 /nfs/dbraw/zinc/38/18/43/608381843.db2.gz SIDRAMJMAXEHLE-CYBMUJFWSA-N -1 3 395.488 3.256 20 0 GGADHM Oc1cccc2c1CC[C@@H]2Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000826511228 608382179 /nfs/dbraw/zinc/38/21/79/608382179.db2.gz HOWJWUFVJVUEIE-INIZCTEOSA-N -1 3 378.823 3.295 20 0 GGADHM Oc1cccc2c1CC[C@@H]2Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000826511228 608382181 /nfs/dbraw/zinc/38/21/81/608382181.db2.gz HOWJWUFVJVUEIE-INIZCTEOSA-N -1 3 378.823 3.295 20 0 GGADHM C[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824952853 608383907 /nfs/dbraw/zinc/38/39/07/608383907.db2.gz BILMUHLPUHPBKY-ZIAGYGMSSA-N -1 3 381.436 3.157 20 0 GGADHM C[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824952853 608383909 /nfs/dbraw/zinc/38/39/09/608383909.db2.gz BILMUHLPUHPBKY-ZIAGYGMSSA-N -1 3 381.436 3.157 20 0 GGADHM Cc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc2n[nH]cc21 ZINC000826269268 608384430 /nfs/dbraw/zinc/38/44/30/608384430.db2.gz GSEYPYDLXOUZBW-SFHVURJKSA-N -1 3 391.435 3.094 20 0 GGADHM Cc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc2n[nH]cc21 ZINC000826269268 608384431 /nfs/dbraw/zinc/38/44/31/608384431.db2.gz GSEYPYDLXOUZBW-SFHVURJKSA-N -1 3 391.435 3.094 20 0 GGADHM Fc1c(CN2CCc3c(Br)cccc3C2)cccc1-c1nnn[n-]1 ZINC000826370962 608389152 /nfs/dbraw/zinc/38/91/52/608389152.db2.gz NEPMBZHVIKLWMG-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1c(CN2CCc3c(Br)cccc3C2)cccc1-c1nn[n-]n1 ZINC000826370962 608389154 /nfs/dbraw/zinc/38/91/54/608389154.db2.gz NEPMBZHVIKLWMG-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Cc1nc(Cc2nnc(SCc3cccc(-c4nnn[n-]4)c3F)o2)cs1 ZINC000826326155 608394839 /nfs/dbraw/zinc/39/48/39/608394839.db2.gz CWGFTRWFUKLWKR-UHFFFAOYSA-N -1 3 389.441 3.037 20 0 GGADHM Cc1nc(Cc2nnc(SCc3cccc(-c4nn[n-]n4)c3F)o2)cs1 ZINC000826326155 608394840 /nfs/dbraw/zinc/39/48/40/608394840.db2.gz CWGFTRWFUKLWKR-UHFFFAOYSA-N -1 3 389.441 3.037 20 0 GGADHM Cc1nc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000826323491 608408677 /nfs/dbraw/zinc/40/86/77/608408677.db2.gz GPLJRHBDLCRHKM-LBPRGKRZSA-N -1 3 395.492 3.192 20 0 GGADHM Cc1nc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000826323491 608408679 /nfs/dbraw/zinc/40/86/79/608408679.db2.gz GPLJRHBDLCRHKM-LBPRGKRZSA-N -1 3 395.492 3.192 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(F)c(F)c1 ZINC000824633050 608424437 /nfs/dbraw/zinc/42/44/37/608424437.db2.gz GSAJYZSDVYVIHU-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)c(F)c1 ZINC000824633050 608424438 /nfs/dbraw/zinc/42/44/38/608424438.db2.gz GSAJYZSDVYVIHU-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(C)cc1 ZINC000825146556 608425954 /nfs/dbraw/zinc/42/59/54/608425954.db2.gz CVUTYHPWMSVREY-QGZVFWFLSA-N -1 3 375.436 3.466 20 0 GGADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(C)cc1 ZINC000825146556 608425955 /nfs/dbraw/zinc/42/59/55/608425955.db2.gz CVUTYHPWMSVREY-QGZVFWFLSA-N -1 3 375.436 3.466 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826328803 608435482 /nfs/dbraw/zinc/43/54/82/608435482.db2.gz DJPSNEHWELNQAY-UHFFFAOYSA-N -1 3 391.406 3.457 20 0 GGADHM Cc1nc2ccccc2c(C)c1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826328803 608435483 /nfs/dbraw/zinc/43/54/83/608435483.db2.gz DJPSNEHWELNQAY-UHFFFAOYSA-N -1 3 391.406 3.457 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826418981 608441610 /nfs/dbraw/zinc/44/16/10/608441610.db2.gz FOVNYBCDBKPBOP-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826418981 608441612 /nfs/dbraw/zinc/44/16/12/608441612.db2.gz FOVNYBCDBKPBOP-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM Cc1oc(-c2cccs2)nc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826340629 608442046 /nfs/dbraw/zinc/44/20/46/608442046.db2.gz FONORRKHJSQMSU-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM Cc1oc(-c2cccs2)nc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826340629 608442048 /nfs/dbraw/zinc/44/20/48/608442048.db2.gz FONORRKHJSQMSU-UHFFFAOYSA-N -1 3 385.380 3.388 20 0 GGADHM CC(=O)c1cccc(OCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824029510 608443871 /nfs/dbraw/zinc/44/38/71/608443871.db2.gz LQKIDEAUBJTLRP-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM CC(=O)c1cccc(OCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824029510 608443872 /nfs/dbraw/zinc/44/38/72/608443872.db2.gz LQKIDEAUBJTLRP-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826219832 608448008 /nfs/dbraw/zinc/44/80/08/608448008.db2.gz RWIXQQIBFLDVMJ-ZDUSSCGKSA-N -1 3 384.411 3.327 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826219832 608448010 /nfs/dbraw/zinc/44/80/10/608448010.db2.gz RWIXQQIBFLDVMJ-ZDUSSCGKSA-N -1 3 384.411 3.327 20 0 GGADHM O=C(Cc1csc(-c2ccoc2)n1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826424143 608450171 /nfs/dbraw/zinc/45/01/71/608450171.db2.gz XSHYJSGSNVNCDT-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM O=C(Cc1csc(-c2ccoc2)n1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826424143 608450173 /nfs/dbraw/zinc/45/01/73/608450173.db2.gz XSHYJSGSNVNCDT-UHFFFAOYSA-N -1 3 385.380 3.008 20 0 GGADHM OC1CCN(c2ccc(NC[C@H]3C[C@H]3c3ccccc3)cc2-c2nnn[n-]2)CC1 ZINC000826507606 608450463 /nfs/dbraw/zinc/45/04/63/608450463.db2.gz RVPBNXKHKKITJC-APWZRJJASA-N -1 3 390.491 3.043 20 0 GGADHM OC1CCN(c2ccc(NC[C@H]3C[C@H]3c3ccccc3)cc2-c2nn[n-]n2)CC1 ZINC000826507606 608450464 /nfs/dbraw/zinc/45/04/64/608450464.db2.gz RVPBNXKHKKITJC-APWZRJJASA-N -1 3 390.491 3.043 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCCCN1Cc1ccccc1 ZINC000826466077 608450668 /nfs/dbraw/zinc/45/06/68/608450668.db2.gz OEDQXHAZFSKHBA-GOSISDBHSA-N -1 3 395.438 3.104 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCCCN1Cc1ccccc1 ZINC000826466077 608450670 /nfs/dbraw/zinc/45/06/70/608450670.db2.gz OEDQXHAZFSKHBA-GOSISDBHSA-N -1 3 395.438 3.104 20 0 GGADHM CCOc1ccccc1[C@H](CC)N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825653643 608458330 /nfs/dbraw/zinc/45/83/30/608458330.db2.gz HFARTAAJVKPRPI-HKUYNNGSSA-N -1 3 395.463 3.220 20 0 GGADHM CCOc1ccccc1[C@H](CC)N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825653643 608458331 /nfs/dbraw/zinc/45/83/31/608458331.db2.gz HFARTAAJVKPRPI-HKUYNNGSSA-N -1 3 395.463 3.220 20 0 GGADHM CCOc1ccccc1[C@@H](CC)N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825653645 608458448 /nfs/dbraw/zinc/45/84/48/608458448.db2.gz HFARTAAJVKPRPI-MJGOQNOKSA-N -1 3 395.463 3.220 20 0 GGADHM CCOc1ccccc1[C@@H](CC)N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825653645 608458450 /nfs/dbraw/zinc/45/84/50/608458450.db2.gz HFARTAAJVKPRPI-MJGOQNOKSA-N -1 3 395.463 3.220 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1OC(F)(F)F ZINC000825958264 608458785 /nfs/dbraw/zinc/45/87/85/608458785.db2.gz PKCQHTZJIKPETJ-UHFFFAOYSA-N -1 3 377.326 3.038 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1OC(F)(F)F ZINC000825958264 608458786 /nfs/dbraw/zinc/45/87/86/608458786.db2.gz PKCQHTZJIKPETJ-UHFFFAOYSA-N -1 3 377.326 3.038 20 0 GGADHM C[C@H](C(=O)c1c[nH]c2ncccc12)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824053127 608459187 /nfs/dbraw/zinc/45/91/87/608459187.db2.gz UZTZPNMIIAJBQH-CQSZACIVSA-N -1 3 399.458 3.104 20 0 GGADHM CCOc1ccc(-c2noc(CN[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000825632095 608461580 /nfs/dbraw/zinc/46/15/80/608461580.db2.gz KTTBABIEMGQGGD-CYBMUJFWSA-N -1 3 391.435 3.166 20 0 GGADHM CCOc1ccc(-c2noc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000825632095 608461581 /nfs/dbraw/zinc/46/15/81/608461581.db2.gz KTTBABIEMGQGGD-CYBMUJFWSA-N -1 3 391.435 3.166 20 0 GGADHM COc1ncc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1Cl ZINC000826222220 608463690 /nfs/dbraw/zinc/46/36/90/608463690.db2.gz OIWBBMBQMQKLED-UHFFFAOYSA-N -1 3 382.855 3.213 20 0 GGADHM CC(=O)c1cccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000824029839 608468503 /nfs/dbraw/zinc/46/85/03/608468503.db2.gz QTTXHHSDRZONCD-UHFFFAOYSA-N -1 3 388.431 3.391 20 0 GGADHM CC(=O)c1cccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000824029839 608468504 /nfs/dbraw/zinc/46/85/04/608468504.db2.gz QTTXHHSDRZONCD-UHFFFAOYSA-N -1 3 388.431 3.391 20 0 GGADHM O=C(Nc1cc(F)c(Br)c(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826451642 608471372 /nfs/dbraw/zinc/47/13/72/608471372.db2.gz PIXOTQYGQRQFDP-UHFFFAOYSA-N -1 3 386.181 3.221 20 0 GGADHM O=C(Nc1cc(F)c(Br)c(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826451642 608471373 /nfs/dbraw/zinc/47/13/73/608471373.db2.gz PIXOTQYGQRQFDP-UHFFFAOYSA-N -1 3 386.181 3.221 20 0 GGADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826146193 608473465 /nfs/dbraw/zinc/47/34/65/608473465.db2.gz RLNUYISDJGTKIR-VQIMIIECSA-N -1 3 393.447 3.204 20 0 GGADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826146193 608473467 /nfs/dbraw/zinc/47/34/67/608473467.db2.gz RLNUYISDJGTKIR-VQIMIIECSA-N -1 3 393.447 3.204 20 0 GGADHM CCc1noc(C)c1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825777305 608473895 /nfs/dbraw/zinc/47/38/95/608473895.db2.gz SUOIDNOWCAOGIL-UHFFFAOYSA-N -1 3 379.424 3.047 20 0 GGADHM CCc1noc(C)c1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825777305 608473897 /nfs/dbraw/zinc/47/38/97/608473897.db2.gz SUOIDNOWCAOGIL-UHFFFAOYSA-N -1 3 379.424 3.047 20 0 GGADHM CC[C@@H](CSC)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825125603 608474783 /nfs/dbraw/zinc/47/47/83/608474783.db2.gz DYKYPJCEKPYQQM-KRWDZBQOSA-N -1 3 397.504 3.317 20 0 GGADHM CN(CC1CCOCC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825914386 608475194 /nfs/dbraw/zinc/47/51/94/608475194.db2.gz CALIHLUFDVWXLJ-UHFFFAOYSA-N -1 3 392.463 3.109 20 0 GGADHM Cc1cnccc1NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826319690 608475663 /nfs/dbraw/zinc/47/56/63/608475663.db2.gz NXSFXTHSJWJNLZ-UHFFFAOYSA-N -1 3 391.460 3.042 20 0 GGADHM CC(C)(C)c1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000824130845 608476218 /nfs/dbraw/zinc/47/62/18/608476218.db2.gz PDVVBUKLQJIQHG-UHFFFAOYSA-N -1 3 378.436 3.082 20 0 GGADHM CC(C)(C)c1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000824130845 608476219 /nfs/dbraw/zinc/47/62/19/608476219.db2.gz PDVVBUKLQJIQHG-UHFFFAOYSA-N -1 3 378.436 3.082 20 0 GGADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824928880 608478293 /nfs/dbraw/zinc/47/82/93/608478293.db2.gz VPVMNHYGLTZREA-HNAYVOBHSA-N -1 3 381.480 3.078 20 0 GGADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824928880 608478296 /nfs/dbraw/zinc/47/82/96/608478296.db2.gz VPVMNHYGLTZREA-HNAYVOBHSA-N -1 3 381.480 3.078 20 0 GGADHM COc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1C ZINC000826177149 608478388 /nfs/dbraw/zinc/47/83/88/608478388.db2.gz UMJMWJPYQDGRNK-UHFFFAOYSA-N -1 3 375.432 3.113 20 0 GGADHM COc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1C ZINC000826177149 608478389 /nfs/dbraw/zinc/47/83/89/608478389.db2.gz UMJMWJPYQDGRNK-UHFFFAOYSA-N -1 3 375.432 3.113 20 0 GGADHM C[C@@H]1CCOCCN1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824962158 608478602 /nfs/dbraw/zinc/47/86/02/608478602.db2.gz PAROSTVEOXEAJE-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@@H]1CCOCCN1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824962158 608478604 /nfs/dbraw/zinc/47/86/04/608478604.db2.gz PAROSTVEOXEAJE-CQSZACIVSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(c1cccc(OC(F)F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474162 608482768 /nfs/dbraw/zinc/48/27/68/608482768.db2.gz DEGLPLNZNZHYTK-UHFFFAOYSA-N -1 3 397.385 3.398 20 0 GGADHM O=C(c1cccc(OC(F)F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474162 608482769 /nfs/dbraw/zinc/48/27/69/608482769.db2.gz DEGLPLNZNZHYTK-UHFFFAOYSA-N -1 3 397.385 3.398 20 0 GGADHM C[C@@H](Oc1cccc(F)c1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824745181 608486050 /nfs/dbraw/zinc/48/60/50/608486050.db2.gz OEJRXMIGHMIMEZ-CQSZACIVSA-N -1 3 393.422 3.089 20 0 GGADHM C[C@@H](Oc1cccc(F)c1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824745181 608486051 /nfs/dbraw/zinc/48/60/51/608486051.db2.gz OEJRXMIGHMIMEZ-CQSZACIVSA-N -1 3 393.422 3.089 20 0 GGADHM COc1cccc([C@@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826214617 608486631 /nfs/dbraw/zinc/48/66/31/608486631.db2.gz RCTBVDLOQCKPJB-OAHLLOKOSA-N -1 3 389.459 3.295 20 0 GGADHM COc1cccc([C@@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826214617 608486633 /nfs/dbraw/zinc/48/66/33/608486633.db2.gz RCTBVDLOQCKPJB-OAHLLOKOSA-N -1 3 389.459 3.295 20 0 GGADHM O=C(c1cc(=O)[nH]c2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470496 608487325 /nfs/dbraw/zinc/48/73/25/608487325.db2.gz RVEDLUDVPRSXDF-UHFFFAOYSA-N -1 3 398.426 3.050 20 0 GGADHM O=C(c1cc(=O)[nH]c2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470496 608487326 /nfs/dbraw/zinc/48/73/26/608487326.db2.gz RVEDLUDVPRSXDF-UHFFFAOYSA-N -1 3 398.426 3.050 20 0 GGADHM C[C@H]1CC(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)O1 ZINC000824891513 608489932 /nfs/dbraw/zinc/48/99/32/608489932.db2.gz APFSWZUVLBELAT-KBPBESRZSA-N -1 3 392.463 3.296 20 0 GGADHM O=C(Nc1ccc(Cl)cn1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826453776 608491864 /nfs/dbraw/zinc/49/18/64/608491864.db2.gz ZEUXWLCAFNDHFW-UHFFFAOYSA-N -1 3 381.827 3.236 20 0 GGADHM O=C(Nc1ccc(Cl)cn1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826453776 608491866 /nfs/dbraw/zinc/49/18/66/608491866.db2.gz ZEUXWLCAFNDHFW-UHFFFAOYSA-N -1 3 381.827 3.236 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1-c1nnn[n-]1 ZINC000825688388 608494145 /nfs/dbraw/zinc/49/41/45/608494145.db2.gz XUEDNXKXUQSLGA-UHFFFAOYSA-N -1 3 398.492 3.190 20 0 GGADHM CCc1c(C)sc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1-c1nn[n-]n1 ZINC000825688388 608494146 /nfs/dbraw/zinc/49/41/46/608494146.db2.gz XUEDNXKXUQSLGA-UHFFFAOYSA-N -1 3 398.492 3.190 20 0 GGADHM FC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000826369173 608499213 /nfs/dbraw/zinc/49/92/13/608499213.db2.gz QPEJWJMXXJNAQT-UHFFFAOYSA-N -1 3 394.426 3.269 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825893000 608500329 /nfs/dbraw/zinc/50/03/29/608500329.db2.gz YOKUNXYSBUYYCB-UHFFFAOYSA-N -1 3 397.291 3.306 20 0 GGADHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825893000 608500332 /nfs/dbraw/zinc/50/03/32/608500332.db2.gz YOKUNXYSBUYYCB-UHFFFAOYSA-N -1 3 397.291 3.306 20 0 GGADHM Cc1cc(C)cc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826264350 608509638 /nfs/dbraw/zinc/50/96/38/608509638.db2.gz LDPITNBOPJRGLD-AWEZNQCLSA-N -1 3 375.436 3.384 20 0 GGADHM Cc1cc(C)cc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000826264350 608509639 /nfs/dbraw/zinc/50/96/39/608509639.db2.gz LDPITNBOPJRGLD-AWEZNQCLSA-N -1 3 375.436 3.384 20 0 GGADHM CC[C@](C)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000825044320 608510465 /nfs/dbraw/zinc/51/04/65/608510465.db2.gz OLEHUEYMCXTVIL-FQEVSTJZSA-N -1 3 375.436 3.332 20 0 GGADHM c1cc(-c2nnn[n-]2)oc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000826523517 608513966 /nfs/dbraw/zinc/51/39/66/608513966.db2.gz PCAJVLUQIQGPLC-UHFFFAOYSA-N -1 3 398.470 3.347 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1OCCOc1ccccc1Br ZINC000826372475 608528916 /nfs/dbraw/zinc/52/89/16/608528916.db2.gz YCGJHXJFZBUVRF-UHFFFAOYSA-N -1 3 379.189 3.226 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1OCCOc1ccccc1Br ZINC000826372475 608528918 /nfs/dbraw/zinc/52/89/18/608528918.db2.gz YCGJHXJFZBUVRF-UHFFFAOYSA-N -1 3 379.189 3.226 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000507402107 608529315 /nfs/dbraw/zinc/52/93/15/608529315.db2.gz JXTPXCMLZPLMKW-UHFFFAOYSA-N -1 3 390.472 3.152 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000507402107 608529316 /nfs/dbraw/zinc/52/93/16/608529316.db2.gz JXTPXCMLZPLMKW-UHFFFAOYSA-N -1 3 390.472 3.152 20 0 GGADHM Fc1ccc(-c2cnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)cc1 ZINC000826373103 608529617 /nfs/dbraw/zinc/52/96/17/608529617.db2.gz ZDIJXJORDXNCSO-UHFFFAOYSA-N -1 3 376.395 3.440 20 0 GGADHM Fc1ccc(-c2cnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)cc1 ZINC000826373103 608529619 /nfs/dbraw/zinc/52/96/19/608529619.db2.gz ZDIJXJORDXNCSO-UHFFFAOYSA-N -1 3 376.395 3.440 20 0 GGADHM C[C@@H](NC(=O)c1csc(-c2ncccc2F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520649 608529679 /nfs/dbraw/zinc/52/96/79/608529679.db2.gz AUGMDZKOAWIVJV-SNVBAGLBSA-N -1 3 395.423 3.015 20 0 GGADHM C[C@@H](NC(=O)c1csc(-c2ncccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520649 608529681 /nfs/dbraw/zinc/52/96/81/608529681.db2.gz AUGMDZKOAWIVJV-SNVBAGLBSA-N -1 3 395.423 3.015 20 0 GGADHM C[C@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000824564131 608534624 /nfs/dbraw/zinc/53/46/24/608534624.db2.gz SAYWWHLLYMSYDN-JTQLQIEISA-N -1 3 391.262 3.463 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc2ccc(C)nc21 ZINC000825609505 608540057 /nfs/dbraw/zinc/54/00/57/608540057.db2.gz OCINPQNEKWNAJP-UHFFFAOYSA-N -1 3 375.388 3.341 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc2ccc(C)nc21 ZINC000825609505 608540059 /nfs/dbraw/zinc/54/00/59/608540059.db2.gz OCINPQNEKWNAJP-UHFFFAOYSA-N -1 3 375.388 3.341 20 0 GGADHM Cn1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC000826366021 608540689 /nfs/dbraw/zinc/54/06/89/608540689.db2.gz OWPUREJUYJCZMB-UHFFFAOYSA-N -1 3 379.811 3.173 20 0 GGADHM Cn1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC000826366021 608540690 /nfs/dbraw/zinc/54/06/90/608540690.db2.gz OWPUREJUYJCZMB-UHFFFAOYSA-N -1 3 379.811 3.173 20 0 GGADHM CCN(C(=O)c1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385906 608545345 /nfs/dbraw/zinc/54/53/45/608545345.db2.gz VGXKIHIWADLEPZ-UHFFFAOYSA-N -1 3 377.326 3.432 20 0 GGADHM CCN(C(=O)c1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385906 608545347 /nfs/dbraw/zinc/54/53/47/608545347.db2.gz VGXKIHIWADLEPZ-UHFFFAOYSA-N -1 3 377.326 3.432 20 0 GGADHM CCCN(Cc1c(Cl)nc(Cl)n1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825318028 608547960 /nfs/dbraw/zinc/54/79/60/608547960.db2.gz GYALLEWEODXNHV-UHFFFAOYSA-N -1 3 380.283 3.319 20 0 GGADHM CCCN(Cc1c(Cl)nc(Cl)n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825318028 608547962 /nfs/dbraw/zinc/54/79/62/608547962.db2.gz GYALLEWEODXNHV-UHFFFAOYSA-N -1 3 380.283 3.319 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826321446 608549611 /nfs/dbraw/zinc/54/96/11/608549611.db2.gz FQSIWCIRSYMFJM-INIZCTEOSA-N -1 3 398.446 3.495 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826321446 608549612 /nfs/dbraw/zinc/54/96/12/608549612.db2.gz FQSIWCIRSYMFJM-INIZCTEOSA-N -1 3 398.446 3.495 20 0 GGADHM Cc1cc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1F ZINC000826262068 608553984 /nfs/dbraw/zinc/55/39/84/608553984.db2.gz DGZFJENTFIUWAK-LBPRGKRZSA-N -1 3 379.399 3.215 20 0 GGADHM Cc1cc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1F ZINC000826262068 608553985 /nfs/dbraw/zinc/55/39/85/608553985.db2.gz DGZFJENTFIUWAK-LBPRGKRZSA-N -1 3 379.399 3.215 20 0 GGADHM CC(C)C[C@@H](C)CC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824228786 608556266 /nfs/dbraw/zinc/55/62/66/608556266.db2.gz KWPJZCMCZAPJBV-ODIFPOPNSA-N -1 3 386.500 3.140 20 0 GGADHM CC(C)C[C@@H](C)CC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824228786 608556268 /nfs/dbraw/zinc/55/62/68/608556268.db2.gz KWPJZCMCZAPJBV-ODIFPOPNSA-N -1 3 386.500 3.140 20 0 GGADHM CC1(C)CCC(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000824797511 608557669 /nfs/dbraw/zinc/55/76/69/608557669.db2.gz ZLOLMENPXWEHGW-UHFFFAOYSA-N -1 3 398.511 3.284 20 0 GGADHM CC1(C)CCC(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000824797511 608557670 /nfs/dbraw/zinc/55/76/70/608557670.db2.gz ZLOLMENPXWEHGW-UHFFFAOYSA-N -1 3 398.511 3.284 20 0 GGADHM c1ccc2oc(NC3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)nc2c1 ZINC000826524376 608559128 /nfs/dbraw/zinc/55/91/28/608559128.db2.gz SKWWCSZJVJXOEN-UHFFFAOYSA-N -1 3 377.408 3.205 20 0 GGADHM c1ccc2oc(NC3CCC(Oc4ccc(-c5nn[n-]n5)cn4)CC3)nc2c1 ZINC000826524376 608559131 /nfs/dbraw/zinc/55/91/31/608559131.db2.gz SKWWCSZJVJXOEN-UHFFFAOYSA-N -1 3 377.408 3.205 20 0 GGADHM O=C(CCC1CCCC1)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826405759 608559302 /nfs/dbraw/zinc/55/93/02/608559302.db2.gz SNEODCQWMPZCMS-UHFFFAOYSA-N -1 3 384.484 3.038 20 0 GGADHM O=C(CCC1CCCC1)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826405759 608559304 /nfs/dbraw/zinc/55/93/04/608559304.db2.gz SNEODCQWMPZCMS-UHFFFAOYSA-N -1 3 384.484 3.038 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826341810 608564694 /nfs/dbraw/zinc/56/46/94/608564694.db2.gz QLCYSYLKBLDPHG-WDEREUQCSA-N -1 3 388.859 3.408 20 0 GGADHM Cc1ccccc1SCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826308284 608570352 /nfs/dbraw/zinc/57/03/52/608570352.db2.gz RWFRUKZIBOOIMJ-UHFFFAOYSA-N -1 3 380.477 3.180 20 0 GGADHM Cc1ccccc1SCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826308284 608570354 /nfs/dbraw/zinc/57/03/54/608570354.db2.gz RWFRUKZIBOOIMJ-UHFFFAOYSA-N -1 3 380.477 3.180 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cccc(Br)c1 ZINC000826459877 608572185 /nfs/dbraw/zinc/57/21/85/608572185.db2.gz CZALUMBWFPDGAF-UHFFFAOYSA-N -1 3 399.252 3.155 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cccc(Br)c1 ZINC000826459877 608572186 /nfs/dbraw/zinc/57/21/86/608572186.db2.gz CZALUMBWFPDGAF-UHFFFAOYSA-N -1 3 399.252 3.155 20 0 GGADHM CCCCC[C@H](CC)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825268788 608580757 /nfs/dbraw/zinc/58/07/57/608580757.db2.gz YJOLLPPYQDQIQB-SFHVURJKSA-N -1 3 384.528 3.117 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cnc(-c2ccccc2)s1 ZINC000824753443 608584039 /nfs/dbraw/zinc/58/40/39/608584039.db2.gz DAZSBTLAUMBFDU-LBPRGKRZSA-N -1 3 392.444 3.396 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cnc(-c2ccccc2)s1 ZINC000824753443 608584041 /nfs/dbraw/zinc/58/40/41/608584041.db2.gz DAZSBTLAUMBFDU-LBPRGKRZSA-N -1 3 392.444 3.396 20 0 GGADHM CCc1nnc(N[C@@H](C)[C@H](OC)c2ccccc2F)c(-c2nnn[n-]2)c1CC ZINC000825767604 608586911 /nfs/dbraw/zinc/58/69/11/608586911.db2.gz MQXDSYCTQKOTJC-GTNSWQLSSA-N -1 3 385.447 3.109 20 0 GGADHM CCc1nnc(N[C@@H](C)[C@H](OC)c2ccccc2F)c(-c2nn[n-]n2)c1CC ZINC000825767604 608586913 /nfs/dbraw/zinc/58/69/13/608586913.db2.gz MQXDSYCTQKOTJC-GTNSWQLSSA-N -1 3 385.447 3.109 20 0 GGADHM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826426855 608588652 /nfs/dbraw/zinc/58/86/52/608588652.db2.gz XXRYJAARQKIZQA-CQSZACIVSA-N -1 3 379.317 3.429 20 0 GGADHM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826426855 608588653 /nfs/dbraw/zinc/58/86/53/608588653.db2.gz XXRYJAARQKIZQA-CQSZACIVSA-N -1 3 379.317 3.429 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826422696 608593125 /nfs/dbraw/zinc/59/31/25/608593125.db2.gz IUWAVFBKMUUSCP-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826422696 608593127 /nfs/dbraw/zinc/59/31/27/608593127.db2.gz IUWAVFBKMUUSCP-INIZCTEOSA-N -1 3 383.839 3.093 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCN(Cc2cscc2Cl)CC1 ZINC000826372013 608639710 /nfs/dbraw/zinc/63/97/10/608639710.db2.gz CSZHNRAZJGPPRT-UHFFFAOYSA-N -1 3 378.864 3.043 20 0 GGADHM COc1ccccc1CN(Cc1cccc(-c2nnn[n-]2)c1F)C[C@H]1CCCO1 ZINC000826219580 608645208 /nfs/dbraw/zinc/64/52/08/608645208.db2.gz ILHNOKSBFOIRSN-QGZVFWFLSA-N -1 3 397.454 3.196 20 0 GGADHM COc1ccccc1CN(Cc1cccc(-c2nn[n-]n2)c1F)C[C@H]1CCCO1 ZINC000826219580 608645210 /nfs/dbraw/zinc/64/52/10/608645210.db2.gz ILHNOKSBFOIRSN-QGZVFWFLSA-N -1 3 397.454 3.196 20 0 GGADHM Cn1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(C(C)(C)C)n1 ZINC000826359183 608667669 /nfs/dbraw/zinc/66/76/69/608667669.db2.gz ZEHNYERDSNLLLL-UHFFFAOYSA-N -1 3 385.497 3.090 20 0 GGADHM Cn1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(C(C)(C)C)n1 ZINC000826359183 608667670 /nfs/dbraw/zinc/66/76/70/608667670.db2.gz ZEHNYERDSNLLLL-UHFFFAOYSA-N -1 3 385.497 3.090 20 0 GGADHM Cc1sc(NC(=O)c2cn(C)nc2-c2cccs2)c(-c2nnn[n-]2)c1C ZINC000826350434 608667885 /nfs/dbraw/zinc/66/78/85/608667885.db2.gz WFNJZHGWGWNUJF-UHFFFAOYSA-N -1 3 385.478 3.259 20 0 GGADHM Cc1sc(NC(=O)c2cn(C)nc2-c2cccs2)c(-c2nn[n-]n2)c1C ZINC000826350434 608667890 /nfs/dbraw/zinc/66/78/90/608667890.db2.gz WFNJZHGWGWNUJF-UHFFFAOYSA-N -1 3 385.478 3.259 20 0 GGADHM COCCn1c2ccccc2nc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000826163803 608669549 /nfs/dbraw/zinc/66/95/49/608669549.db2.gz MDRMKBPEQYQBCX-UHFFFAOYSA-N -1 3 384.440 3.294 20 0 GGADHM COCCn1c2ccccc2nc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000826163803 608669550 /nfs/dbraw/zinc/66/95/50/608669550.db2.gz MDRMKBPEQYQBCX-UHFFFAOYSA-N -1 3 384.440 3.294 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1c(F)cccc1Cl ZINC000824178499 608671205 /nfs/dbraw/zinc/67/12/05/608671205.db2.gz VDKPMSUHXGUJTI-UHFFFAOYSA-N -1 3 376.775 3.422 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1c(F)cccc1Cl ZINC000824178499 608671206 /nfs/dbraw/zinc/67/12/06/608671206.db2.gz VDKPMSUHXGUJTI-UHFFFAOYSA-N -1 3 376.775 3.422 20 0 GGADHM COc1ccc(F)cc1NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826209090 608671888 /nfs/dbraw/zinc/67/18/88/608671888.db2.gz MEFOVLSPAWQONE-KRWDZBQOSA-N -1 3 385.399 3.057 20 0 GGADHM COc1ccc(F)cc1NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826209090 608671890 /nfs/dbraw/zinc/67/18/90/608671890.db2.gz MEFOVLSPAWQONE-KRWDZBQOSA-N -1 3 385.399 3.057 20 0 GGADHM Cn1cc(OC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000826362334 608672376 /nfs/dbraw/zinc/67/23/76/608672376.db2.gz NYFQSXFRCQBZEG-UHFFFAOYSA-N -1 3 396.794 3.265 20 0 GGADHM Cn1cc(OC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826362334 608672379 /nfs/dbraw/zinc/67/23/79/608672379.db2.gz NYFQSXFRCQBZEG-UHFFFAOYSA-N -1 3 396.794 3.265 20 0 GGADHM CN(Cc1ccon1)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825981655 608716669 /nfs/dbraw/zinc/71/66/69/608716669.db2.gz WEBOSMSRMNNVBX-UHFFFAOYSA-N -1 3 376.420 3.066 20 0 GGADHM CN(Cc1ccon1)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825981655 608716671 /nfs/dbraw/zinc/71/66/71/608716671.db2.gz WEBOSMSRMNNVBX-UHFFFAOYSA-N -1 3 376.420 3.066 20 0 GGADHM Cc1cc(Br)cc2c1NC(=O)C2=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826256770 608753969 /nfs/dbraw/zinc/75/39/69/608753969.db2.gz ZJUYTMNTIZDINY-VGOFMYFVSA-N -1 3 382.221 3.430 20 0 GGADHM Cc1cc(Br)cc2c1NC(=O)C2=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826256770 608753972 /nfs/dbraw/zinc/75/39/72/608753972.db2.gz ZJUYTMNTIZDINY-VGOFMYFVSA-N -1 3 382.221 3.430 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824206378 608755395 /nfs/dbraw/zinc/75/53/95/608755395.db2.gz CMVFTBKZRFMARA-QGZVFWFLSA-N -1 3 385.855 3.240 20 0 GGADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824206378 608755396 /nfs/dbraw/zinc/75/53/96/608755396.db2.gz CMVFTBKZRFMARA-QGZVFWFLSA-N -1 3 385.855 3.240 20 0 GGADHM COC[C@@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736968366 608763279 /nfs/dbraw/zinc/76/32/79/608763279.db2.gz GFRMWDUKNAKPIX-LLVKDONJSA-N -1 3 387.827 3.077 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000824892375 608764206 /nfs/dbraw/zinc/76/42/06/608764206.db2.gz HKRIPSSWMLBYDH-UKRRQHHQSA-N -1 3 395.488 3.315 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000824892375 608764211 /nfs/dbraw/zinc/76/42/11/608764211.db2.gz HKRIPSSWMLBYDH-UKRRQHHQSA-N -1 3 395.488 3.315 20 0 GGADHM COC[C@@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826148685 608764344 /nfs/dbraw/zinc/76/43/44/608764344.db2.gz OKVYULQNVBCIME-LLVKDONJSA-N -1 3 387.827 3.077 20 0 GGADHM COC[C@@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826148685 608764346 /nfs/dbraw/zinc/76/43/46/608764346.db2.gz OKVYULQNVBCIME-LLVKDONJSA-N -1 3 387.827 3.077 20 0 GGADHM COc1cc(CNc2cnccc2-c2nnn[n-]2)ccc1OCc1ccccc1 ZINC000826179654 608768810 /nfs/dbraw/zinc/76/88/10/608768810.db2.gz YCJKCAYKOSEDEP-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM COc1cc(CNc2cnccc2-c2nn[n-]n2)ccc1OCc1ccccc1 ZINC000826179654 608768811 /nfs/dbraw/zinc/76/88/11/608768811.db2.gz YCJKCAYKOSEDEP-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM Cc1cc(CN(C)c2cnccc2-c2nnn[n-]2)cc(C)c1OCC(F)(F)F ZINC000826266116 608777427 /nfs/dbraw/zinc/77/74/27/608777427.db2.gz CJUAMVHKCCJJNV-UHFFFAOYSA-N -1 3 392.385 3.456 20 0 GGADHM Cc1cc(CN(C)c2cnccc2-c2nn[n-]n2)cc(C)c1OCC(F)(F)F ZINC000826266116 608777431 /nfs/dbraw/zinc/77/74/31/608777431.db2.gz CJUAMVHKCCJJNV-UHFFFAOYSA-N -1 3 392.385 3.456 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)Nc1cnccc1-c1nnn[n-]1 ZINC000824458697 608790734 /nfs/dbraw/zinc/79/07/34/608790734.db2.gz XPCOSCABVFSMEA-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)Nc1cnccc1-c1nn[n-]n1 ZINC000824458697 608790740 /nfs/dbraw/zinc/79/07/40/608790740.db2.gz XPCOSCABVFSMEA-VIFPVBQESA-N -1 3 377.221 3.206 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCSCC(F)(F)F)c2c1 ZINC000826372847 608800035 /nfs/dbraw/zinc/80/00/35/608800035.db2.gz NYKYGKKKADWZIO-UHFFFAOYSA-N -1 3 390.341 3.401 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCSCC(F)(F)F)c2c1 ZINC000826372847 608800038 /nfs/dbraw/zinc/80/00/38/608800038.db2.gz NYKYGKKKADWZIO-UHFFFAOYSA-N -1 3 390.341 3.401 20 0 GGADHM CC(C)CC1(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CCC1 ZINC000824235811 608810178 /nfs/dbraw/zinc/81/01/78/608810178.db2.gz KKHCYDZAOXEBEP-UHFFFAOYSA-N -1 3 379.468 3.089 20 0 GGADHM CC(C)CC1(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CCC1 ZINC000824235811 608810180 /nfs/dbraw/zinc/81/01/80/608810180.db2.gz KKHCYDZAOXEBEP-UHFFFAOYSA-N -1 3 379.468 3.089 20 0 GGADHM Cc1cc(C)cc(C2=CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264466 608828907 /nfs/dbraw/zinc/82/89/07/608828907.db2.gz PIDISJGTKUVENM-UHFFFAOYSA-N -1 3 389.459 3.178 20 0 GGADHM CN(C(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829687 608841431 /nfs/dbraw/zinc/84/14/31/608841431.db2.gz IXQDXXNCWSSIQZ-UHFFFAOYSA-N -1 3 379.420 3.099 20 0 GGADHM CN(C(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829687 608841433 /nfs/dbraw/zinc/84/14/33/608841433.db2.gz IXQDXXNCWSSIQZ-UHFFFAOYSA-N -1 3 379.420 3.099 20 0 GGADHM O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826507223 608848553 /nfs/dbraw/zinc/84/85/53/608848553.db2.gz KREJJUMMJXIXRV-JSGCOSHPSA-N -1 3 395.410 3.255 20 0 GGADHM O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826507223 608848555 /nfs/dbraw/zinc/84/85/55/608848555.db2.gz KREJJUMMJXIXRV-JSGCOSHPSA-N -1 3 395.410 3.255 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccc(F)c(F)c21 ZINC000826420584 608851216 /nfs/dbraw/zinc/85/12/16/608851216.db2.gz SVNHOYAZNZVOFT-UHFFFAOYSA-N -1 3 387.415 3.216 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc(F)c(F)c21 ZINC000826420584 608851220 /nfs/dbraw/zinc/85/12/20/608851220.db2.gz SVNHOYAZNZVOFT-UHFFFAOYSA-N -1 3 387.415 3.216 20 0 GGADHM CC1(C)Cc2cccc(CN3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)c2O1 ZINC000824812116 608853826 /nfs/dbraw/zinc/85/38/26/608853826.db2.gz JDLFVWFDXBMKKQ-LJQANCHMSA-N -1 3 391.475 3.154 20 0 GGADHM CC1(C)Cc2cccc(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)c2O1 ZINC000824812116 608853829 /nfs/dbraw/zinc/85/38/29/608853829.db2.gz JDLFVWFDXBMKKQ-LJQANCHMSA-N -1 3 391.475 3.154 20 0 GGADHM CCCCOc1ccc(OC)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825296524 608858856 /nfs/dbraw/zinc/85/88/56/608858856.db2.gz MZJGKMNFRMRPHR-UHFFFAOYSA-N -1 3 393.451 3.314 20 0 GGADHM CCCCOc1ccc(OC)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825296524 608858858 /nfs/dbraw/zinc/85/88/58/608858858.db2.gz MZJGKMNFRMRPHR-UHFFFAOYSA-N -1 3 393.451 3.314 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826464593 609136648 /nfs/dbraw/zinc/13/66/48/609136648.db2.gz DQQXROFQBRAHEJ-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826464593 609136650 /nfs/dbraw/zinc/13/66/50/609136650.db2.gz DQQXROFQBRAHEJ-HNNXBMFYSA-N -1 3 382.395 3.257 20 0 GGADHM C[C@H](NCc1nccn1CCc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824633344 609149735 /nfs/dbraw/zinc/14/97/35/609149735.db2.gz LIJUDKCBKXANHB-HNNXBMFYSA-N -1 3 391.454 3.296 20 0 GGADHM C[C@H](NCc1nccn1CCc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824633344 609149737 /nfs/dbraw/zinc/14/97/37/609149737.db2.gz LIJUDKCBKXANHB-HNNXBMFYSA-N -1 3 391.454 3.296 20 0 GGADHM COc1ccc([C@@H](NCc2cc(-c3nnn[n-]3)ccc2OC)C(F)(F)F)cc1 ZINC000826188675 609150141 /nfs/dbraw/zinc/15/01/41/609150141.db2.gz CQJNYODWBOWXOL-MRXNPFEDSA-N -1 3 393.369 3.277 20 0 GGADHM COc1ccc([C@@H](NCc2cc(-c3nn[n-]n3)ccc2OC)C(F)(F)F)cc1 ZINC000826188675 609150142 /nfs/dbraw/zinc/15/01/42/609150142.db2.gz CQJNYODWBOWXOL-MRXNPFEDSA-N -1 3 393.369 3.277 20 0 GGADHM O=C(CN1CCC[C@@H]1/C=C\c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826410371 609150682 /nfs/dbraw/zinc/15/06/82/609150682.db2.gz LDCKGPQKAIMTKN-WHLNPGIBSA-N -1 3 380.477 3.045 20 0 GGADHM O=C(CN1CCC[C@@H]1/C=C\c1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826410371 609150684 /nfs/dbraw/zinc/15/06/84/609150684.db2.gz LDCKGPQKAIMTKN-WHLNPGIBSA-N -1 3 380.477 3.045 20 0 GGADHM O=C(Cc1cccc2cccnc21)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826423477 609155891 /nfs/dbraw/zinc/15/58/91/609155891.db2.gz QOJYQTFVWDBGKY-UHFFFAOYSA-N -1 3 379.807 3.354 20 0 GGADHM O=C(Cc1cccc2cccnc21)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826423477 609155892 /nfs/dbraw/zinc/15/58/92/609155892.db2.gz QOJYQTFVWDBGKY-UHFFFAOYSA-N -1 3 379.807 3.354 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000826185877 609156761 /nfs/dbraw/zinc/15/67/61/609156761.db2.gz WSVYGKUXLAXYKE-KOLCDFICSA-N -1 3 384.362 3.070 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000826185877 609156762 /nfs/dbraw/zinc/15/67/62/609156762.db2.gz WSVYGKUXLAXYKE-KOLCDFICSA-N -1 3 384.362 3.070 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCCC[C@H]3C3CC3)cc2-c2nnn[n-]2)CC1 ZINC000826507079 609168467 /nfs/dbraw/zinc/16/84/67/609168467.db2.gz IINZZDAREODQHO-HKUYNNGSSA-N -1 3 382.512 3.209 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCCC[C@H]3C3CC3)cc2-c2nn[n-]n2)CC1 ZINC000826507079 609168468 /nfs/dbraw/zinc/16/84/68/609168468.db2.gz IINZZDAREODQHO-HKUYNNGSSA-N -1 3 382.512 3.209 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C1CCOCC1 ZINC000823826074 609168995 /nfs/dbraw/zinc/16/89/95/609168995.db2.gz BTUNDOJNYYLSDP-CQSZACIVSA-N -1 3 378.274 3.025 20 0 GGADHM O[C@@]1(c2ccc(F)cc2)CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826506552 609170356 /nfs/dbraw/zinc/17/03/56/609170356.db2.gz WZACFMQNZYZDKR-KRWDZBQOSA-N -1 3 393.344 3.123 20 0 GGADHM O[C@@]1(c2ccc(F)cc2)CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826506552 609170357 /nfs/dbraw/zinc/17/03/57/609170357.db2.gz WZACFMQNZYZDKR-KRWDZBQOSA-N -1 3 393.344 3.123 20 0 GGADHM CN(Cc1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000825953215 609171836 /nfs/dbraw/zinc/17/18/36/609171836.db2.gz AMHULEGMOBZABA-UHFFFAOYSA-N -1 3 388.275 3.334 20 0 GGADHM CN(Cc1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000825953215 609171839 /nfs/dbraw/zinc/17/18/39/609171839.db2.gz AMHULEGMOBZABA-UHFFFAOYSA-N -1 3 388.275 3.334 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000825480498 609177221 /nfs/dbraw/zinc/17/72/21/609177221.db2.gz ADOPYBSRMBMCCF-LBPRGKRZSA-N -1 3 399.886 3.241 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1noc(-c2ccccc2C)n1 ZINC000825480635 609177544 /nfs/dbraw/zinc/17/75/44/609177544.db2.gz DRDSQPFJSAUPTF-UHFFFAOYSA-N -1 3 376.424 3.269 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1noc(Cc2ccccc2C)n1 ZINC000825480831 609178036 /nfs/dbraw/zinc/17/80/36/609178036.db2.gz MXLIEKQWUFVGHQ-UHFFFAOYSA-N -1 3 390.451 3.193 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(C)cc2)o1 ZINC000825480739 609179154 /nfs/dbraw/zinc/17/91/54/609179154.db2.gz INACZDHVLSXQNN-UHFFFAOYSA-N -1 3 376.424 3.269 20 0 GGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263631 609180842 /nfs/dbraw/zinc/18/08/42/609180842.db2.gz KWSAUDWTIHHGDF-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263631 609180844 /nfs/dbraw/zinc/18/08/44/609180844.db2.gz KWSAUDWTIHHGDF-UHFFFAOYSA-N -1 3 387.447 3.254 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826441465 609181076 /nfs/dbraw/zinc/18/10/76/609181076.db2.gz FWXVLBIMVLQYDU-IBWPDUFMSA-N -1 3 392.438 3.393 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826441465 609181078 /nfs/dbraw/zinc/18/10/78/609181078.db2.gz FWXVLBIMVLQYDU-IBWPDUFMSA-N -1 3 392.438 3.393 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826441467 609181353 /nfs/dbraw/zinc/18/13/53/609181353.db2.gz FWXVLBIMVLQYDU-VEGGFIAOSA-N -1 3 392.438 3.393 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826441467 609181355 /nfs/dbraw/zinc/18/13/55/609181355.db2.gz FWXVLBIMVLQYDU-VEGGFIAOSA-N -1 3 392.438 3.393 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(c1cccc(F)c1)C1CCOCC1 ZINC000826243973 609188020 /nfs/dbraw/zinc/18/80/20/609188020.db2.gz CBQCUUFCNQJDSV-UHFFFAOYSA-N -1 3 381.411 3.140 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(c1cccc(F)c1)C1CCOCC1 ZINC000826243973 609188022 /nfs/dbraw/zinc/18/80/22/609188022.db2.gz CBQCUUFCNQJDSV-UHFFFAOYSA-N -1 3 381.411 3.140 20 0 GGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000826469551 609200310 /nfs/dbraw/zinc/20/03/10/609200310.db2.gz KKCGIMNECWNDEI-CQSZACIVSA-N -1 3 377.235 3.479 20 0 GGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000826469551 609200311 /nfs/dbraw/zinc/20/03/11/609200311.db2.gz KKCGIMNECWNDEI-CQSZACIVSA-N -1 3 377.235 3.479 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000826397514 609211442 /nfs/dbraw/zinc/21/14/42/609211442.db2.gz FTACHJQMRBNFOS-NHCUHLMSSA-N -1 3 399.454 3.417 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000826397514 609211443 /nfs/dbraw/zinc/21/14/43/609211443.db2.gz FTACHJQMRBNFOS-NHCUHLMSSA-N -1 3 399.454 3.417 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccsc1)c1ccccc1 ZINC000826396745 609220036 /nfs/dbraw/zinc/22/00/36/609220036.db2.gz JUQICHCAKACSIM-GOSISDBHSA-N -1 3 391.456 3.195 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccsc1)c1ccccc1 ZINC000826396745 609220037 /nfs/dbraw/zinc/22/00/37/609220037.db2.gz JUQICHCAKACSIM-GOSISDBHSA-N -1 3 391.456 3.195 20 0 GGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427765 609225140 /nfs/dbraw/zinc/22/51/40/609225140.db2.gz ZUFHWSDVFKCGOP-MSOLQXFVSA-N -1 3 397.866 3.211 20 0 GGADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427765 609225143 /nfs/dbraw/zinc/22/51/43/609225143.db2.gz ZUFHWSDVFKCGOP-MSOLQXFVSA-N -1 3 397.866 3.211 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826430147 609231748 /nfs/dbraw/zinc/23/17/48/609231748.db2.gz VIULQVXEFFJMOH-TZMCWYRMSA-N -1 3 390.369 3.280 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826430147 609231749 /nfs/dbraw/zinc/23/17/49/609231749.db2.gz VIULQVXEFFJMOH-TZMCWYRMSA-N -1 3 390.369 3.280 20 0 GGADHM Cc1cccc(-c2ccc(CNC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000826295738 609233648 /nfs/dbraw/zinc/23/36/48/609233648.db2.gz VZBLUMIEWAFFNX-OAQYLSRUSA-N -1 3 399.454 3.192 20 0 GGADHM Cc1cccc(-c2ccc(CNC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000826295738 609233650 /nfs/dbraw/zinc/23/36/50/609233650.db2.gz VZBLUMIEWAFFNX-OAQYLSRUSA-N -1 3 399.454 3.192 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826297937 609233857 /nfs/dbraw/zinc/23/38/57/609233857.db2.gz XPJZEOIZYUULQP-PMACEKPBSA-N -1 3 391.475 3.352 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826297937 609233858 /nfs/dbraw/zinc/23/38/58/609233858.db2.gz XPJZEOIZYUULQP-PMACEKPBSA-N -1 3 391.475 3.352 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)nn1-c1cccc(Cl)c1 ZINC000826260241 609234214 /nfs/dbraw/zinc/23/42/14/609234214.db2.gz CQIOGVJPWZOMJS-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)nn1-c1cccc(Cl)c1 ZINC000826260241 609234216 /nfs/dbraw/zinc/23/42/16/609234216.db2.gz CQIOGVJPWZOMJS-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)nn1-c1cccc(Cl)c1 ZINC000826257643 609235891 /nfs/dbraw/zinc/23/58/91/609235891.db2.gz KEPGZNKBUIBTEG-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)nn1-c1cccc(Cl)c1 ZINC000826257643 609235892 /nfs/dbraw/zinc/23/58/92/609235892.db2.gz KEPGZNKBUIBTEG-UHFFFAOYSA-N -1 3 393.838 3.291 20 0 GGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1NC(C)=O ZINC000826210455 609237765 /nfs/dbraw/zinc/23/77/65/609237765.db2.gz SHHUFWAZOQFEBB-KRWDZBQOSA-N -1 3 378.436 3.323 20 0 GGADHM COc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1NC(C)=O ZINC000826210455 609237766 /nfs/dbraw/zinc/23/77/66/609237766.db2.gz SHHUFWAZOQFEBB-KRWDZBQOSA-N -1 3 378.436 3.323 20 0 GGADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000825812659 609239631 /nfs/dbraw/zinc/23/96/31/609239631.db2.gz QGWKAZZEPKLKFZ-HXUWFJFHSA-N -1 3 385.427 3.230 20 0 GGADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000825812659 609239632 /nfs/dbraw/zinc/23/96/32/609239632.db2.gz QGWKAZZEPKLKFZ-HXUWFJFHSA-N -1 3 385.427 3.230 20 0 GGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000824655387 609239985 /nfs/dbraw/zinc/23/99/85/609239985.db2.gz CKVXIHOANFJFFX-JKSUJKDBSA-N -1 3 392.507 3.432 20 0 GGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000824655387 609239987 /nfs/dbraw/zinc/23/99/87/609239987.db2.gz CKVXIHOANFJFFX-JKSUJKDBSA-N -1 3 392.507 3.432 20 0 GGADHM Cc1ccccc1[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000826305984 609240940 /nfs/dbraw/zinc/24/09/40/609240940.db2.gz NLRQBWIRLQTTTQ-HNNXBMFYSA-N -1 3 378.480 3.309 20 0 GGADHM Cc1ccccc1[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000826305984 609240941 /nfs/dbraw/zinc/24/09/41/609240941.db2.gz NLRQBWIRLQTTTQ-HNNXBMFYSA-N -1 3 378.480 3.309 20 0 GGADHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)nn1-c1ccccc1Cl ZINC000826271025 609244516 /nfs/dbraw/zinc/24/45/16/609244516.db2.gz YPRNIJNJWFFHIW-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)nn1-c1ccccc1Cl ZINC000826271025 609244518 /nfs/dbraw/zinc/24/45/18/609244518.db2.gz YPRNIJNJWFFHIW-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826428539 609250313 /nfs/dbraw/zinc/25/03/13/609250313.db2.gz DVEPIYIODVWMGE-KRWDZBQOSA-N -1 3 397.866 3.139 20 0 GGADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826428539 609250314 /nfs/dbraw/zinc/25/03/14/609250314.db2.gz DVEPIYIODVWMGE-KRWDZBQOSA-N -1 3 397.866 3.139 20 0 GGADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(Cl)c1 ZINC000826270637 609253855 /nfs/dbraw/zinc/25/38/55/609253855.db2.gz IUSDTDSZBDUZGQ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(Cl)c1 ZINC000826270637 609253857 /nfs/dbraw/zinc/25/38/57/609253857.db2.gz IUSDTDSZBDUZGQ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(N(CC)CC)cc1 ZINC000825626545 609258596 /nfs/dbraw/zinc/25/85/96/609258596.db2.gz MKCBWTUEKYITIL-UHFFFAOYSA-N -1 3 380.452 3.364 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(N(CC)CC)cc1 ZINC000825626545 609258598 /nfs/dbraw/zinc/25/85/98/609258598.db2.gz MKCBWTUEKYITIL-UHFFFAOYSA-N -1 3 380.452 3.364 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1 ZINC000826255053 609262773 /nfs/dbraw/zinc/26/27/73/609262773.db2.gz JSEPZGFFSPEJSC-UHFFFAOYSA-N -1 3 395.463 3.247 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1 ZINC000826255053 609262775 /nfs/dbraw/zinc/26/27/75/609262775.db2.gz JSEPZGFFSPEJSC-UHFFFAOYSA-N -1 3 395.463 3.247 20 0 GGADHM CCCc1nnc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000825351788 609265560 /nfs/dbraw/zinc/26/55/60/609265560.db2.gz JBMNSMWWZRBOTO-UHFFFAOYSA-N -1 3 391.435 3.393 20 0 GGADHM CCCc1nnc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000825351788 609265562 /nfs/dbraw/zinc/26/55/62/609265562.db2.gz JBMNSMWWZRBOTO-UHFFFAOYSA-N -1 3 391.435 3.393 20 0 GGADHM Cc1ccc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826288495 609267769 /nfs/dbraw/zinc/26/77/69/609267769.db2.gz JLNGYYMPLGCZJX-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1ccc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826288495 609267770 /nfs/dbraw/zinc/26/77/70/609267770.db2.gz JLNGYYMPLGCZJX-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM CCN(C(=O)C=Cc1ccc(OC)c(O)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367223 609268448 /nfs/dbraw/zinc/26/84/48/609268448.db2.gz LJTOAIWURSSUOQ-NFEOESJKSA-N -1 3 393.447 3.204 20 0 GGADHM CCN(C(=O)C=Cc1ccc(OC)c(O)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367223 609268449 /nfs/dbraw/zinc/26/84/49/609268449.db2.gz LJTOAIWURSSUOQ-NFEOESJKSA-N -1 3 393.447 3.204 20 0 GGADHM Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826328960 609269580 /nfs/dbraw/zinc/26/95/80/609269580.db2.gz KZFGRISJWNYYSX-SNVBAGLBSA-N -1 3 379.449 3.224 20 0 GGADHM Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826328960 609269582 /nfs/dbraw/zinc/26/95/82/609269582.db2.gz KZFGRISJWNYYSX-SNVBAGLBSA-N -1 3 379.449 3.224 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824237789 609271529 /nfs/dbraw/zinc/27/15/29/609271529.db2.gz WHRCTKYCLIFQIN-OLZOCXBDSA-N -1 3 378.864 3.235 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824237789 609271530 /nfs/dbraw/zinc/27/15/30/609271530.db2.gz WHRCTKYCLIFQIN-OLZOCXBDSA-N -1 3 378.864 3.235 20 0 GGADHM C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662529 609273153 /nfs/dbraw/zinc/27/31/53/609273153.db2.gz MHBDMMXCWQTANH-NSHDSACASA-N -1 3 391.414 3.167 20 0 GGADHM C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662529 609273155 /nfs/dbraw/zinc/27/31/55/609273155.db2.gz MHBDMMXCWQTANH-NSHDSACASA-N -1 3 391.414 3.167 20 0 GGADHM CC(C)(C)[C@H]1NC(=O)N(c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1=O ZINC000824078792 609275900 /nfs/dbraw/zinc/27/59/00/609275900.db2.gz KKOPLNIKEYNJAT-INIZCTEOSA-N -1 3 392.419 3.130 20 0 GGADHM CC(C)(C)[C@H]1NC(=O)N(c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1=O ZINC000824078792 609275901 /nfs/dbraw/zinc/27/59/01/609275901.db2.gz KKOPLNIKEYNJAT-INIZCTEOSA-N -1 3 392.419 3.130 20 0 GGADHM CCCC[C@@H]1NC(=O)N(c2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1=O ZINC000825267764 609276114 /nfs/dbraw/zinc/27/61/14/609276114.db2.gz NAVCQJPTBREWEB-KRWDZBQOSA-N -1 3 392.419 3.274 20 0 GGADHM CCCC[C@@H]1NC(=O)N(c2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1=O ZINC000825267764 609276116 /nfs/dbraw/zinc/27/61/16/609276116.db2.gz NAVCQJPTBREWEB-KRWDZBQOSA-N -1 3 392.419 3.274 20 0 GGADHM C[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655723 609276362 /nfs/dbraw/zinc/27/63/62/609276362.db2.gz FASURVYOFQZSSY-ZDUSSCGKSA-N -1 3 376.420 3.083 20 0 GGADHM C[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655723 609276363 /nfs/dbraw/zinc/27/63/63/609276363.db2.gz FASURVYOFQZSSY-ZDUSSCGKSA-N -1 3 376.420 3.083 20 0 GGADHM COc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(Cl)c1 ZINC000826203741 609277567 /nfs/dbraw/zinc/27/75/67/609277567.db2.gz DLNNTTRCEYBKNN-UHFFFAOYSA-N -1 3 399.817 3.466 20 0 GGADHM COc1ccc(C)cc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826190122 609278747 /nfs/dbraw/zinc/27/87/47/609278747.db2.gz PXVAMJRIXRQFHE-UHFFFAOYSA-N -1 3 379.399 3.121 20 0 GGADHM Fc1cccc(-n2ccc(NCc3cccc4cccnc43)n2)c1-c1nnn[n-]1 ZINC000826376374 609279437 /nfs/dbraw/zinc/27/94/37/609279437.db2.gz ATGGJZXOZLLNBD-UHFFFAOYSA-N -1 3 386.394 3.352 20 0 GGADHM Cc1nnc(-c2cccc(N[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)c2)n1C ZINC000826335246 609280466 /nfs/dbraw/zinc/28/04/66/609280466.db2.gz FDPPGUMGKZAJMI-LLVKDONJSA-N -1 3 378.415 3.283 20 0 GGADHM Cc1nnc(-c2cccc(N[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)c2)n1C ZINC000826335246 609280468 /nfs/dbraw/zinc/28/04/68/609280468.db2.gz FDPPGUMGKZAJMI-LLVKDONJSA-N -1 3 378.415 3.283 20 0 GGADHM Cc1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cnn1C1CCCCC1 ZINC000826234094 609282197 /nfs/dbraw/zinc/28/21/97/609282197.db2.gz IAZUWIXEMWHHLD-UHFFFAOYSA-N -1 3 391.479 3.296 20 0 GGADHM Cc1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cnn1C1CCCCC1 ZINC000826234094 609282201 /nfs/dbraw/zinc/28/22/01/609282201.db2.gz IAZUWIXEMWHHLD-UHFFFAOYSA-N -1 3 391.479 3.296 20 0 GGADHM Cc1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cnn1C1CCCCC1 ZINC000826234356 609282341 /nfs/dbraw/zinc/28/23/41/609282341.db2.gz SBISVPUEEVGFGE-UHFFFAOYSA-N -1 3 377.452 3.080 20 0 GGADHM Cc1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cnn1C1CCCCC1 ZINC000826234356 609282343 /nfs/dbraw/zinc/28/23/43/609282343.db2.gz SBISVPUEEVGFGE-UHFFFAOYSA-N -1 3 377.452 3.080 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CCO1 ZINC000824236029 609282843 /nfs/dbraw/zinc/28/28/43/609282843.db2.gz LSOJHMDNRZGSRP-PKOBYXMFSA-N -1 3 398.511 3.134 20 0 GGADHM CC(C)C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CCO1 ZINC000824236029 609282844 /nfs/dbraw/zinc/28/28/44/609282844.db2.gz LSOJHMDNRZGSRP-PKOBYXMFSA-N -1 3 398.511 3.134 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)COc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000824136230 609283441 /nfs/dbraw/zinc/28/34/41/609283441.db2.gz NDIWXWCWWOXYKK-UHFFFAOYSA-N -1 3 391.475 3.128 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)COc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000824136230 609283443 /nfs/dbraw/zinc/28/34/43/609283443.db2.gz NDIWXWCWWOXYKK-UHFFFAOYSA-N -1 3 391.475 3.128 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC000824757231 609283558 /nfs/dbraw/zinc/28/35/58/609283558.db2.gz UTVWXEKROHFAON-QWRGUYRKSA-N -1 3 385.449 3.272 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC000824757231 609283559 /nfs/dbraw/zinc/28/35/59/609283559.db2.gz UTVWXEKROHFAON-QWRGUYRKSA-N -1 3 385.449 3.272 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1nc(C2CC2)cs1 ZINC000824713707 609285710 /nfs/dbraw/zinc/28/57/10/609285710.db2.gz KDPNRZMAWFCNIN-ZETCQYMHSA-N -1 3 377.376 3.397 20 0 GGADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nc(C2CC2)cs1 ZINC000824713707 609285712 /nfs/dbraw/zinc/28/57/12/609285712.db2.gz KDPNRZMAWFCNIN-ZETCQYMHSA-N -1 3 377.376 3.397 20 0 GGADHM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459988 609288047 /nfs/dbraw/zinc/28/80/47/609288047.db2.gz ISILSCSUKYDNNK-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459988 609288048 /nfs/dbraw/zinc/28/80/48/609288048.db2.gz ISILSCSUKYDNNK-UHFFFAOYSA-N -1 3 383.824 3.291 20 0 GGADHM O=C(NCc1ccc(OC2CCCC2)nc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826442017 609289048 /nfs/dbraw/zinc/28/90/48/609289048.db2.gz GAENZLCWLCLINL-UHFFFAOYSA-N -1 3 398.854 3.167 20 0 GGADHM O=C(NCc1ccc(OC2CCCC2)nc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826442017 609289050 /nfs/dbraw/zinc/28/90/50/609289050.db2.gz GAENZLCWLCLINL-UHFFFAOYSA-N -1 3 398.854 3.167 20 0 GGADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825429217 609289635 /nfs/dbraw/zinc/28/96/35/609289635.db2.gz YOGWESRFJDPXTH-UHFFFAOYSA-N -1 3 377.782 3.461 20 0 GGADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825429217 609289636 /nfs/dbraw/zinc/28/96/36/609289636.db2.gz YOGWESRFJDPXTH-UHFFFAOYSA-N -1 3 377.782 3.461 20 0 GGADHM C[C@H]1CC(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C[C@H](C)C1 ZINC000824875390 609290595 /nfs/dbraw/zinc/29/05/95/609290595.db2.gz MHUZDGOIJLMNLQ-VXGBXAGGSA-N -1 3 383.431 3.202 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc(C)c1F ZINC000826260539 609291128 /nfs/dbraw/zinc/29/11/28/609291128.db2.gz SVUHGVWWTCBEIG-UHFFFAOYSA-N -1 3 395.373 3.200 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544207702 609292825 /nfs/dbraw/zinc/29/28/25/609292825.db2.gz QAQIFBBKSCHENW-MRXNPFEDSA-N -1 3 391.479 3.312 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544207702 609292827 /nfs/dbraw/zinc/29/28/27/609292827.db2.gz QAQIFBBKSCHENW-MRXNPFEDSA-N -1 3 391.479 3.312 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc(C(F)F)cc1 ZINC000826458608 609293234 /nfs/dbraw/zinc/29/32/34/609293234.db2.gz XXZFFIJGDVIEOZ-UHFFFAOYSA-N -1 3 399.336 3.381 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC[C@@H](OC(F)F)C1 ZINC000826474240 609293244 /nfs/dbraw/zinc/29/32/44/609293244.db2.gz HVGRQJVSSGDXPF-CYBMUJFWSA-N -1 3 399.401 3.378 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC[C@@H](OC(F)F)C1 ZINC000826474240 609293246 /nfs/dbraw/zinc/29/32/46/609293246.db2.gz HVGRQJVSSGDXPF-CYBMUJFWSA-N -1 3 399.401 3.378 20 0 GGADHM CC1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824783011 609295420 /nfs/dbraw/zinc/29/54/20/609295420.db2.gz BJPIDFYIGCGXJU-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM CC1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824783011 609295422 /nfs/dbraw/zinc/29/54/22/609295422.db2.gz BJPIDFYIGCGXJU-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM CC1(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCCCCC1 ZINC000824784561 609295518 /nfs/dbraw/zinc/29/55/18/609295518.db2.gz WMSIGGIGXKYZJK-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM CC1(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCCCCC1 ZINC000824784561 609295520 /nfs/dbraw/zinc/29/55/20/609295520.db2.gz WMSIGGIGXKYZJK-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000826267587 609295771 /nfs/dbraw/zinc/29/57/71/609295771.db2.gz LZNGXFXZIIXLBW-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000826267587 609295773 /nfs/dbraw/zinc/29/57/73/609295773.db2.gz LZNGXFXZIIXLBW-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823999912 609297670 /nfs/dbraw/zinc/29/76/70/609297670.db2.gz MSPDWRYQKWYVLG-UHFFFAOYSA-N -1 3 391.218 3.384 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823999912 609297672 /nfs/dbraw/zinc/29/76/72/609297672.db2.gz MSPDWRYQKWYVLG-UHFFFAOYSA-N -1 3 391.218 3.384 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2CCC=CO2)cc1 ZINC000826176135 609298571 /nfs/dbraw/zinc/29/85/71/609298571.db2.gz CJXDKUCATZFNBJ-KRWDZBQOSA-N -1 3 393.403 3.299 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CCC=CO2)cc1 ZINC000826176135 609298573 /nfs/dbraw/zinc/29/85/73/609298573.db2.gz CJXDKUCATZFNBJ-KRWDZBQOSA-N -1 3 393.403 3.299 20 0 GGADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825782288 609299983 /nfs/dbraw/zinc/29/99/83/609299983.db2.gz AYLSNGRPELTZGU-LLVKDONJSA-N -1 3 395.854 3.381 20 0 GGADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825782288 609299984 /nfs/dbraw/zinc/29/99/84/609299984.db2.gz AYLSNGRPELTZGU-LLVKDONJSA-N -1 3 395.854 3.381 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826473243 609301882 /nfs/dbraw/zinc/30/18/82/609301882.db2.gz PVGAZKJKQDDPFY-QAPCUYQASA-N -1 3 397.866 3.248 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826473243 609301884 /nfs/dbraw/zinc/30/18/84/609301884.db2.gz PVGAZKJKQDDPFY-QAPCUYQASA-N -1 3 397.866 3.248 20 0 GGADHM CCn1c(CSc2nnc(C)c(C)c2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC000825789076 609304175 /nfs/dbraw/zinc/30/41/75/609304175.db2.gz VWIUTTOUGWDOIG-UHFFFAOYSA-N -1 3 384.444 3.075 20 0 GGADHM CCn1c(CSc2nnc(C)c(C)c2-c2nn[n-]n2)nc2cc(F)ccc21 ZINC000825789076 609304176 /nfs/dbraw/zinc/30/41/76/609304176.db2.gz VWIUTTOUGWDOIG-UHFFFAOYSA-N -1 3 384.444 3.075 20 0 GGADHM CC[C@@H](C)n1nc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1C ZINC000825081123 609305305 /nfs/dbraw/zinc/30/53/05/609305305.db2.gz GNLINXDWNWANFI-SECBINFHSA-N -1 3 390.831 3.224 20 0 GGADHM CC[C@@H](C)n1nc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1C ZINC000825081123 609305307 /nfs/dbraw/zinc/30/53/07/609305307.db2.gz GNLINXDWNWANFI-SECBINFHSA-N -1 3 390.831 3.224 20 0 GGADHM Cc1nnc(SCc2cc(F)ccc2Br)c(-c2nnn[n-]2)c1C ZINC000826337080 609306202 /nfs/dbraw/zinc/30/62/02/609306202.db2.gz BBXSLWXWWFAZLX-UHFFFAOYSA-N -1 3 395.261 3.467 20 0 GGADHM Cc1nnc(SCc2cc(F)ccc2Br)c(-c2nn[n-]n2)c1C ZINC000826337080 609306205 /nfs/dbraw/zinc/30/62/05/609306205.db2.gz BBXSLWXWWFAZLX-UHFFFAOYSA-N -1 3 395.261 3.467 20 0 GGADHM O=C(NCCc1ccco1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826440067 609306896 /nfs/dbraw/zinc/30/68/96/609306896.db2.gz XGUYCUPLNGDJRE-UHFFFAOYSA-N -1 3 375.388 3.225 20 0 GGADHM O=C(NCCc1ccco1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826440067 609306897 /nfs/dbraw/zinc/30/68/97/609306897.db2.gz XGUYCUPLNGDJRE-UHFFFAOYSA-N -1 3 375.388 3.225 20 0 GGADHM Cc1nnc(SCCCOc2cccc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826336620 609306986 /nfs/dbraw/zinc/30/69/86/609306986.db2.gz GKOHDFZREUPFLD-UHFFFAOYSA-N -1 3 376.873 3.488 20 0 GGADHM Cc1nnc(SCCCOc2cccc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826336620 609306987 /nfs/dbraw/zinc/30/69/87/609306987.db2.gz GKOHDFZREUPFLD-UHFFFAOYSA-N -1 3 376.873 3.488 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](F)Cc1ccccc1 ZINC000825605221 609307040 /nfs/dbraw/zinc/30/70/40/609307040.db2.gz RTNVTGVZQGQGNP-CQSZACIVSA-N -1 3 390.802 3.405 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](F)Cc1ccccc1 ZINC000825605221 609307043 /nfs/dbraw/zinc/30/70/43/609307043.db2.gz RTNVTGVZQGQGNP-CQSZACIVSA-N -1 3 390.802 3.405 20 0 GGADHM Cc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(-c2nnn[n-]2)c1C ZINC000826336628 609308316 /nfs/dbraw/zinc/30/83/16/609308316.db2.gz GTYXSKGYYOGXMR-UHFFFAOYSA-N -1 3 384.509 3.151 20 0 GGADHM Cc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(-c2nn[n-]n2)c1C ZINC000826336628 609308317 /nfs/dbraw/zinc/30/83/17/609308317.db2.gz GTYXSKGYYOGXMR-UHFFFAOYSA-N -1 3 384.509 3.151 20 0 GGADHM CCn1c(CSc2nnc(C)c(C)c2-c2nnn[n-]2)nc2c1cccc2F ZINC000825787871 609308346 /nfs/dbraw/zinc/30/83/46/609308346.db2.gz LJZJTINGMWJEIL-UHFFFAOYSA-N -1 3 384.444 3.075 20 0 GGADHM CCn1c(CSc2nnc(C)c(C)c2-c2nn[n-]n2)nc2c1cccc2F ZINC000825787871 609308347 /nfs/dbraw/zinc/30/83/47/609308347.db2.gz LJZJTINGMWJEIL-UHFFFAOYSA-N -1 3 384.444 3.075 20 0 GGADHM COCCC[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826155279 609313043 /nfs/dbraw/zinc/31/30/43/609313043.db2.gz LHSBKFHMDGFNKY-INIZCTEOSA-N -1 3 379.464 3.463 20 0 GGADHM COCCC[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826155279 609313045 /nfs/dbraw/zinc/31/30/45/609313045.db2.gz LHSBKFHMDGFNKY-INIZCTEOSA-N -1 3 379.464 3.463 20 0 GGADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1csc(-c2cccc3ccccc32)n1 ZINC000826459198 609318352 /nfs/dbraw/zinc/31/83/52/609318352.db2.gz ZATYNZRPJYKJTD-UHFFFAOYSA-N -1 3 399.439 3.213 20 0 GGADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1csc(-c2cccc3ccccc32)n1 ZINC000826459198 609318355 /nfs/dbraw/zinc/31/83/55/609318355.db2.gz ZATYNZRPJYKJTD-UHFFFAOYSA-N -1 3 399.439 3.213 20 0 GGADHM Fc1cccc(-n2ccc(NC[C@@H]3C[C@H]3c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826376960 609320648 /nfs/dbraw/zinc/32/06/48/609320648.db2.gz ZDHSWGVZOCFSDK-GJZGRUSLSA-N -1 3 375.411 3.407 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000824746526 609323425 /nfs/dbraw/zinc/32/34/25/609323425.db2.gz VSNRVFOAWRLKCI-GWCFXTLKSA-N -1 3 385.390 3.117 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000824746526 609323426 /nfs/dbraw/zinc/32/34/26/609323426.db2.gz VSNRVFOAWRLKCI-GWCFXTLKSA-N -1 3 385.390 3.117 20 0 GGADHM C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824520925 609328781 /nfs/dbraw/zinc/32/87/81/609328781.db2.gz GEBNNLSHJCBPHM-CQSZACIVSA-N -1 3 393.447 3.204 20 0 GGADHM C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824520925 609328782 /nfs/dbraw/zinc/32/87/82/609328782.db2.gz GEBNNLSHJCBPHM-CQSZACIVSA-N -1 3 393.447 3.204 20 0 GGADHM CCc1noc(CSCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000825777255 609328884 /nfs/dbraw/zinc/32/88/84/609328884.db2.gz RGVFTRILKLHIFF-UHFFFAOYSA-N -1 3 381.259 3.008 20 0 GGADHM CCc1noc(CSCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000825777255 609328885 /nfs/dbraw/zinc/32/88/85/609328885.db2.gz RGVFTRILKLHIFF-UHFFFAOYSA-N -1 3 381.259 3.008 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(-c2ccccc2)nc1 ZINC000826256405 609329590 /nfs/dbraw/zinc/32/95/90/609329590.db2.gz ICCNJBJSXXQPHG-UHFFFAOYSA-N -1 3 393.428 3.005 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(-c2ccccc2)nc1 ZINC000826256405 609329592 /nfs/dbraw/zinc/32/95/92/609329592.db2.gz ICCNJBJSXXQPHG-UHFFFAOYSA-N -1 3 393.428 3.005 20 0 GGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825107806 609331013 /nfs/dbraw/zinc/33/10/13/609331013.db2.gz RODJFNYERPTQQV-DOTOQJQBSA-N -1 3 389.525 3.059 20 0 GGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825107806 609331014 /nfs/dbraw/zinc/33/10/14/609331014.db2.gz RODJFNYERPTQQV-DOTOQJQBSA-N -1 3 389.525 3.059 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCCOc2c(F)cccc21 ZINC000826401776 609334401 /nfs/dbraw/zinc/33/44/01/609334401.db2.gz GMEHXHLHNJDCOS-DVQDXYAYSA-N -1 3 379.395 3.049 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCCOc2c(F)cccc21 ZINC000826401776 609334403 /nfs/dbraw/zinc/33/44/03/609334403.db2.gz GMEHXHLHNJDCOS-DVQDXYAYSA-N -1 3 379.395 3.049 20 0 GGADHM CCOc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825654020 609337162 /nfs/dbraw/zinc/33/71/62/609337162.db2.gz MTYVIKSXYXVJPZ-UHFFFAOYSA-N -1 3 375.436 3.278 20 0 GGADHM CCOc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825654020 609337163 /nfs/dbraw/zinc/33/71/63/609337163.db2.gz MTYVIKSXYXVJPZ-UHFFFAOYSA-N -1 3 375.436 3.278 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1noc(-c2ccccc2)n1 ZINC000824529524 609339459 /nfs/dbraw/zinc/33/94/59/609339459.db2.gz GTLXAIWCQRYNFU-RYUDHWBXSA-N -1 3 379.399 3.468 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1noc(-c2ccccc2)n1 ZINC000824529524 609339460 /nfs/dbraw/zinc/33/94/60/609339460.db2.gz GTLXAIWCQRYNFU-RYUDHWBXSA-N -1 3 379.399 3.468 20 0 GGADHM Cn1cc(CNc2ccn(-c3ccccc3)n2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362524 609342553 /nfs/dbraw/zinc/34/25/53/609342553.db2.gz WLQXWPULCNQMJE-UHFFFAOYSA-N -1 3 397.446 3.065 20 0 GGADHM Cn1cc(CNc2ccn(-c3ccccc3)n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362524 609342554 /nfs/dbraw/zinc/34/25/54/609342554.db2.gz WLQXWPULCNQMJE-UHFFFAOYSA-N -1 3 397.446 3.065 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)[C@H]1CC12CCCC2 ZINC000826464967 609349074 /nfs/dbraw/zinc/34/90/74/609349074.db2.gz TWJRQPBBVYXQIP-GFCCVEGCSA-N -1 3 377.242 3.253 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)[C@H]1CC12CCCC2 ZINC000826464967 609349075 /nfs/dbraw/zinc/34/90/75/609349075.db2.gz TWJRQPBBVYXQIP-GFCCVEGCSA-N -1 3 377.242 3.253 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826418083 609350360 /nfs/dbraw/zinc/35/03/60/609350360.db2.gz QOBSCRPGFFKQMT-IBGZPJMESA-N -1 3 377.448 3.293 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826418083 609350362 /nfs/dbraw/zinc/35/03/62/609350362.db2.gz QOBSCRPGFFKQMT-IBGZPJMESA-N -1 3 377.448 3.293 20 0 GGADHM Cc1noc([C@@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826338136 609351918 /nfs/dbraw/zinc/35/19/18/609351918.db2.gz LXEVVSMOUQEHMS-LLVKDONJSA-N -1 3 392.375 3.268 20 0 GGADHM Cc1noc([C@@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826338136 609351920 /nfs/dbraw/zinc/35/19/20/609351920.db2.gz LXEVVSMOUQEHMS-LLVKDONJSA-N -1 3 392.375 3.268 20 0 GGADHM O=C(O[C@H]1CCCCC1=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462218 609354882 /nfs/dbraw/zinc/35/48/82/609354882.db2.gz RKFRRTJTVTYSNC-SFHVURJKSA-N -1 3 378.388 3.328 20 0 GGADHM O=C(O[C@H]1CCCCC1=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462218 609354885 /nfs/dbraw/zinc/35/48/85/609354885.db2.gz RKFRRTJTVTYSNC-SFHVURJKSA-N -1 3 378.388 3.328 20 0 GGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000826426395 609357462 /nfs/dbraw/zinc/35/74/62/609357462.db2.gz MDCKOXWHCPFLMW-GFCCVEGCSA-N -1 3 381.383 3.222 20 0 GGADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000826426395 609357464 /nfs/dbraw/zinc/35/74/64/609357464.db2.gz MDCKOXWHCPFLMW-GFCCVEGCSA-N -1 3 381.383 3.222 20 0 GGADHM CC(C)N(Cc1ccccn1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824297701 609358255 /nfs/dbraw/zinc/35/82/55/609358255.db2.gz ZGURCXUIYHGMJH-UHFFFAOYSA-N -1 3 387.285 3.435 20 0 GGADHM CC(C)N(Cc1ccccn1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824297701 609358257 /nfs/dbraw/zinc/35/82/57/609358257.db2.gz ZGURCXUIYHGMJH-UHFFFAOYSA-N -1 3 387.285 3.435 20 0 GGADHM CCN(CCC(F)(F)F)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825419663 609359406 /nfs/dbraw/zinc/35/94/06/609359406.db2.gz QSRGEOYSWKCBLZ-UHFFFAOYSA-N -1 3 378.196 3.404 20 0 GGADHM CCN(CCC(F)(F)F)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825419663 609359407 /nfs/dbraw/zinc/35/94/07/609359407.db2.gz QSRGEOYSWKCBLZ-UHFFFAOYSA-N -1 3 378.196 3.404 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N[C@H]1CC12CCCCC2 ZINC000826458484 609360132 /nfs/dbraw/zinc/36/01/32/609360132.db2.gz ROAJHEQYDSPZBH-AWEZNQCLSA-N -1 3 396.430 3.036 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1 ZINC000824928870 609360465 /nfs/dbraw/zinc/36/04/65/609360465.db2.gz VNSFQAGQXJLHMY-CHWSQXEVSA-N -1 3 398.446 3.234 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1ccccn1 ZINC000823821560 609362282 /nfs/dbraw/zinc/36/22/82/609362282.db2.gz WSSLOPSBBCDBFH-MRXNPFEDSA-N -1 3 385.269 3.361 20 0 GGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824937293 609363023 /nfs/dbraw/zinc/36/30/23/609363023.db2.gz PEOZCEKEEJTBOK-TZMCWYRMSA-N -1 3 398.446 3.234 20 0 GGADHM CCC[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1 ZINC000825252150 609363043 /nfs/dbraw/zinc/36/30/43/609363043.db2.gz HAYIZEYLJOYBBT-ZDUSSCGKSA-N -1 3 398.446 3.236 20 0 GGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824937291 609363231 /nfs/dbraw/zinc/36/32/31/609363231.db2.gz PEOZCEKEEJTBOK-OCCSQVGLSA-N -1 3 398.446 3.234 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N(C1CC1)C1CCCC1 ZINC000826458161 609364445 /nfs/dbraw/zinc/36/44/45/609364445.db2.gz FWEXRLACIFXSGR-UHFFFAOYSA-N -1 3 396.430 3.130 20 0 GGADHM CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000824338008 609364965 /nfs/dbraw/zinc/36/49/65/609364965.db2.gz MMKOHYRNQYZDSZ-JKSUJKDBSA-N -1 3 376.482 3.242 20 0 GGADHM CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000824338008 609364967 /nfs/dbraw/zinc/36/49/67/609364967.db2.gz MMKOHYRNQYZDSZ-JKSUJKDBSA-N -1 3 376.482 3.242 20 0 GGADHM C[C@@H](c1nc2ccccc2o1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824777033 609365861 /nfs/dbraw/zinc/36/58/61/609365861.db2.gz GYPUMBYSTVOZSL-SCLBCKFNSA-N -1 3 376.420 3.142 20 0 GGADHM C[C@@H](c1nc2ccccc2o1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824777033 609365864 /nfs/dbraw/zinc/36/58/64/609365864.db2.gz GYPUMBYSTVOZSL-SCLBCKFNSA-N -1 3 376.420 3.142 20 0 GGADHM Fc1cccc2c1CN(Cc1ccc(-c3nnn[n-]3)cc1Br)CC2 ZINC000826377984 609367836 /nfs/dbraw/zinc/36/78/36/609367836.db2.gz PSHYFZZCWIIWQJ-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM Fc1cccc2c1CN(Cc1ccc(-c3nn[n-]n3)cc1Br)CC2 ZINC000826377984 609367841 /nfs/dbraw/zinc/36/78/41/609367841.db2.gz PSHYFZZCWIIWQJ-UHFFFAOYSA-N -1 3 388.244 3.327 20 0 GGADHM CC[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCO1 ZINC000825184283 609370394 /nfs/dbraw/zinc/37/03/94/609370394.db2.gz RRTGEHVDTGJQMZ-NEPJUHHUSA-N -1 3 375.498 3.341 20 0 GGADHM CC[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCO1 ZINC000825184283 609370396 /nfs/dbraw/zinc/37/03/96/609370396.db2.gz RRTGEHVDTGJQMZ-NEPJUHHUSA-N -1 3 375.498 3.341 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000825605192 609373384 /nfs/dbraw/zinc/37/33/84/609373384.db2.gz REEYJLLAAMJXJX-AAEUAGOBSA-N -1 3 394.859 3.420 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000825605192 609373386 /nfs/dbraw/zinc/37/33/86/609373386.db2.gz REEYJLLAAMJXJX-AAEUAGOBSA-N -1 3 394.859 3.420 20 0 GGADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CCCSCC1 ZINC000826474504 609374494 /nfs/dbraw/zinc/37/44/94/609374494.db2.gz SLBHEVOAVPTJRZ-UHFFFAOYSA-N -1 3 381.461 3.238 20 0 GGADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CCCSCC1 ZINC000826474504 609374496 /nfs/dbraw/zinc/37/44/96/609374496.db2.gz SLBHEVOAVPTJRZ-UHFFFAOYSA-N -1 3 381.461 3.238 20 0 GGADHM CCN(C[C@H]1CCOC1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825417127 609375895 /nfs/dbraw/zinc/37/58/95/609375895.db2.gz OPHGXTILUDZNMT-OAHLLOKOSA-N -1 3 393.447 3.158 20 0 GGADHM CCN(C[C@H]1CCOC1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825417127 609375898 /nfs/dbraw/zinc/37/58/98/609375898.db2.gz OPHGXTILUDZNMT-OAHLLOKOSA-N -1 3 393.447 3.158 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnn(CC(C)C)c1 ZINC000824255455 609377905 /nfs/dbraw/zinc/37/79/05/609377905.db2.gz KJCPFOHEVKWNEP-UHFFFAOYSA-N -1 3 381.484 3.018 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnn(CC(C)C)c1 ZINC000824255455 609377907 /nfs/dbraw/zinc/37/79/07/609377907.db2.gz KJCPFOHEVKWNEP-UHFFFAOYSA-N -1 3 381.484 3.018 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C[C@@H]1F ZINC000824948313 609378796 /nfs/dbraw/zinc/37/87/96/609378796.db2.gz TWVJJDPKMQRGBR-WBMJQRKESA-N -1 3 397.414 3.266 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000824974758 609378804 /nfs/dbraw/zinc/37/88/04/609378804.db2.gz FMJJPDMPGCPSKB-CQSZACIVSA-N -1 3 393.447 3.299 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000824974758 609378805 /nfs/dbraw/zinc/37/88/05/609378805.db2.gz FMJJPDMPGCPSKB-CQSZACIVSA-N -1 3 393.447 3.299 20 0 GGADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000825183364 609379837 /nfs/dbraw/zinc/37/98/37/609379837.db2.gz OEHLVDZCDNRWAB-JQWIXIFHSA-N -1 3 381.383 3.002 20 0 GGADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000825183364 609379840 /nfs/dbraw/zinc/37/98/40/609379840.db2.gz OEHLVDZCDNRWAB-JQWIXIFHSA-N -1 3 381.383 3.002 20 0 GGADHM CC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000825200359 609381637 /nfs/dbraw/zinc/38/16/37/609381637.db2.gz ARFBCJSHWBTJBF-LSDHHAIUSA-N -1 3 393.447 3.299 20 0 GGADHM CC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000825200359 609381638 /nfs/dbraw/zinc/38/16/38/609381638.db2.gz ARFBCJSHWBTJBF-LSDHHAIUSA-N -1 3 393.447 3.299 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H]1CCCOc2c(F)cccc21 ZINC000826454089 609382448 /nfs/dbraw/zinc/38/24/48/609382448.db2.gz JISGMQIQARYZBF-AWEZNQCLSA-N -1 3 386.362 3.180 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H]1CCCOc2c(F)cccc21 ZINC000826454089 609382449 /nfs/dbraw/zinc/38/24/49/609382449.db2.gz JISGMQIQARYZBF-AWEZNQCLSA-N -1 3 386.362 3.180 20 0 GGADHM COc1cccc2[nH]cc(CCNC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c21 ZINC000826217688 609382477 /nfs/dbraw/zinc/38/24/77/609382477.db2.gz XZCXYIFZCOTIIU-UHFFFAOYSA-N -1 3 391.435 3.029 20 0 GGADHM COc1cccc2[nH]cc(CCNC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c21 ZINC000826217688 609382479 /nfs/dbraw/zinc/38/24/79/609382479.db2.gz XZCXYIFZCOTIIU-UHFFFAOYSA-N -1 3 391.435 3.029 20 0 GGADHM C[C@@H](Cn1cccn1)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824466775 609385598 /nfs/dbraw/zinc/38/55/98/609385598.db2.gz YRWPIEBAPWBIHL-AWEZNQCLSA-N -1 3 390.403 3.101 20 0 GGADHM C[C@@H](Cn1cccn1)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824466775 609385600 /nfs/dbraw/zinc/38/56/00/609385600.db2.gz YRWPIEBAPWBIHL-AWEZNQCLSA-N -1 3 390.403 3.101 20 0 GGADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000824723011 609385919 /nfs/dbraw/zinc/38/59/19/609385919.db2.gz MCXYMIKYWMJATJ-KBPBESRZSA-N -1 3 380.404 3.241 20 0 GGADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000824723011 609385923 /nfs/dbraw/zinc/38/59/23/609385923.db2.gz MCXYMIKYWMJATJ-KBPBESRZSA-N -1 3 380.404 3.241 20 0 GGADHM CCCN(CC(C)(C)O)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825307579 609386604 /nfs/dbraw/zinc/38/66/04/609386604.db2.gz FXWVXBHAPPZMKW-UHFFFAOYSA-N -1 3 395.463 3.282 20 0 GGADHM CCCN(CC(C)(C)O)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825307579 609386605 /nfs/dbraw/zinc/38/66/05/609386605.db2.gz FXWVXBHAPPZMKW-UHFFFAOYSA-N -1 3 395.463 3.282 20 0 GGADHM C[C@H]1C[C@H](COC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCO1 ZINC000824886077 609390712 /nfs/dbraw/zinc/39/07/12/609390712.db2.gz VPXJSQSOJUQJQH-UONOGXRCSA-N -1 3 398.419 3.011 20 0 GGADHM C[C@H]1C[C@@H](COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCO1 ZINC000824886305 609390719 /nfs/dbraw/zinc/39/07/19/609390719.db2.gz WYWYLRTUFRLZJF-KBPBESRZSA-N -1 3 395.419 3.026 20 0 GGADHM C[C@H]1C[C@@H](COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCO1 ZINC000824886305 609390721 /nfs/dbraw/zinc/39/07/21/609390721.db2.gz WYWYLRTUFRLZJF-KBPBESRZSA-N -1 3 395.419 3.026 20 0 GGADHM CCC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825252824 609392155 /nfs/dbraw/zinc/39/21/55/609392155.db2.gz KKMAZFOCFKTOSC-OAHLLOKOSA-N -1 3 393.447 3.300 20 0 GGADHM CCC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825252824 609392156 /nfs/dbraw/zinc/39/21/56/609392156.db2.gz KKMAZFOCFKTOSC-OAHLLOKOSA-N -1 3 393.447 3.300 20 0 GGADHM Cc1cncc(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826319861 609393525 /nfs/dbraw/zinc/39/35/25/609393525.db2.gz WNVMGWJNROXAEN-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cncc(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826319861 609393528 /nfs/dbraw/zinc/39/35/28/609393528.db2.gz WNVMGWJNROXAEN-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM CC(C)[C@@H]1C[C@@H](CC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824216538 609401166 /nfs/dbraw/zinc/40/11/66/609401166.db2.gz SZOVMALFJWRLCR-YJBOKZPZSA-N -1 3 388.468 3.020 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826412914 609401880 /nfs/dbraw/zinc/40/18/80/609401880.db2.gz JBPGUEQHWQMMNI-IBGZPJMESA-N -1 3 376.464 3.326 20 0 GGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826428902 609401936 /nfs/dbraw/zinc/40/19/36/609401936.db2.gz OOKLYCSDYPIBRI-OAHLLOKOSA-N -1 3 398.829 3.420 20 0 GGADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826428902 609401939 /nfs/dbraw/zinc/40/19/39/609401939.db2.gz OOKLYCSDYPIBRI-OAHLLOKOSA-N -1 3 398.829 3.420 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000824490362 609412322 /nfs/dbraw/zinc/41/23/22/609412322.db2.gz ONBILXXGUVFCSM-ZDUSSCGKSA-N -1 3 383.431 3.082 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000824490362 609412324 /nfs/dbraw/zinc/41/23/24/609412324.db2.gz ONBILXXGUVFCSM-ZDUSSCGKSA-N -1 3 383.431 3.082 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccnc(SC(C)(C)C)c1 ZINC000826174372 609418299 /nfs/dbraw/zinc/41/82/99/609418299.db2.gz UKJZJRBNIKTPHX-UHFFFAOYSA-N -1 3 385.449 3.380 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccnc(SC(C)(C)C)c1 ZINC000826174372 609418301 /nfs/dbraw/zinc/41/83/01/609418301.db2.gz UKJZJRBNIKTPHX-UHFFFAOYSA-N -1 3 385.449 3.380 20 0 GGADHM O=C1[C@@H](Sc2ccc(F)c(F)c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478061 609419949 /nfs/dbraw/zinc/41/99/49/609419949.db2.gz SWNHMMXHKNZXST-INIZCTEOSA-N -1 3 387.415 3.433 20 0 GGADHM O=C1[C@@H](Sc2ccc(F)c(F)c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478061 609419951 /nfs/dbraw/zinc/41/99/51/609419951.db2.gz SWNHMMXHKNZXST-INIZCTEOSA-N -1 3 387.415 3.433 20 0 GGADHM O=C1[C@@H](Sc2ccc(F)cc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478318 609420267 /nfs/dbraw/zinc/42/02/67/609420267.db2.gz YZUXDAZCIDKAES-INIZCTEOSA-N -1 3 387.415 3.433 20 0 GGADHM O=C1[C@@H](Sc2ccc(F)cc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478318 609420269 /nfs/dbraw/zinc/42/02/69/609420269.db2.gz YZUXDAZCIDKAES-INIZCTEOSA-N -1 3 387.415 3.433 20 0 GGADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)n1 ZINC000826265793 609423503 /nfs/dbraw/zinc/42/35/03/609423503.db2.gz NHQUIUROQIJYRR-UHFFFAOYSA-N -1 3 392.448 3.005 20 0 GGADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)n1 ZINC000826265793 609423504 /nfs/dbraw/zinc/42/35/04/609423504.db2.gz NHQUIUROQIJYRR-UHFFFAOYSA-N -1 3 392.448 3.005 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826441932 609440238 /nfs/dbraw/zinc/44/02/38/609440238.db2.gz BTEGMHPREGXIKO-MRXNPFEDSA-N -1 3 394.454 3.485 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826441932 609440241 /nfs/dbraw/zinc/44/02/41/609440241.db2.gz BTEGMHPREGXIKO-MRXNPFEDSA-N -1 3 394.454 3.485 20 0 GGADHM C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824669734 609441441 /nfs/dbraw/zinc/44/14/41/609441441.db2.gz HIVXWJWJWPQXFT-CYBMUJFWSA-N -1 3 397.446 3.384 20 0 GGADHM C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824669734 609441443 /nfs/dbraw/zinc/44/14/43/609441443.db2.gz HIVXWJWJWPQXFT-CYBMUJFWSA-N -1 3 397.446 3.384 20 0 GGADHM COc1cccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)c1 ZINC000826217666 609441529 /nfs/dbraw/zinc/44/15/29/609441529.db2.gz XFNLTNRAPMEHFI-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM COc1cccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)c1 ZINC000826217666 609441532 /nfs/dbraw/zinc/44/15/32/609441532.db2.gz XFNLTNRAPMEHFI-UHFFFAOYSA-N -1 3 376.376 3.248 20 0 GGADHM Cc1sc(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826349408 609442804 /nfs/dbraw/zinc/44/28/04/609442804.db2.gz HDBIYNKTUBTNNS-UHFFFAOYSA-N -1 3 397.439 3.337 20 0 GGADHM Cc1sc(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c(-c2nn[n-]n2)c1C ZINC000826349408 609442805 /nfs/dbraw/zinc/44/28/05/609442805.db2.gz HDBIYNKTUBTNNS-UHFFFAOYSA-N -1 3 397.439 3.337 20 0 GGADHM COc1cc(F)c(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826180245 609444503 /nfs/dbraw/zinc/44/45/03/609444503.db2.gz ZDSZNHQOFKOZDQ-UHFFFAOYSA-N -1 3 397.389 3.166 20 0 GGADHM COc1cc(F)c(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826180245 609444506 /nfs/dbraw/zinc/44/45/06/609444506.db2.gz ZDSZNHQOFKOZDQ-UHFFFAOYSA-N -1 3 397.389 3.166 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000826111679 609450740 /nfs/dbraw/zinc/45/07/40/609450740.db2.gz JTPDNFLGGVWIIB-YJYMSZOUSA-N -1 3 377.448 3.136 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000826111679 609450742 /nfs/dbraw/zinc/45/07/42/609450742.db2.gz JTPDNFLGGVWIIB-YJYMSZOUSA-N -1 3 377.448 3.136 20 0 GGADHM FC(F)(F)c1cc(SCc2nnc3n2CCCC3)ccc1-c1nnn[n-]1 ZINC000826368719 609451026 /nfs/dbraw/zinc/45/10/26/609451026.db2.gz ZKXYSZANFIEEPK-UHFFFAOYSA-N -1 3 381.387 3.106 20 0 GGADHM FC(F)(F)c1cc(SCc2nnc3n2CCCC3)ccc1-c1nn[n-]n1 ZINC000826368719 609451027 /nfs/dbraw/zinc/45/10/27/609451027.db2.gz ZKXYSZANFIEEPK-UHFFFAOYSA-N -1 3 381.387 3.106 20 0 GGADHM CC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)COC1 ZINC000824783462 609452362 /nfs/dbraw/zinc/45/23/62/609452362.db2.gz GYRGIYXQNOXXHH-UHFFFAOYSA-N -1 3 385.811 3.287 20 0 GGADHM CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)COC1 ZINC000824783462 609452365 /nfs/dbraw/zinc/45/23/65/609452365.db2.gz GYRGIYXQNOXXHH-UHFFFAOYSA-N -1 3 385.811 3.287 20 0 GGADHM C[C@H]1COc2ccccc2CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825006225 609454339 /nfs/dbraw/zinc/45/43/39/609454339.db2.gz GQRJIBDGRQAGDZ-ZDUSSCGKSA-N -1 3 395.467 3.238 20 0 GGADHM C[C@H]1COc2ccccc2CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825006225 609454342 /nfs/dbraw/zinc/45/43/42/609454342.db2.gz GQRJIBDGRQAGDZ-ZDUSSCGKSA-N -1 3 395.467 3.238 20 0 GGADHM FC(F)(F)Oc1ccccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826368640 609458125 /nfs/dbraw/zinc/45/81/25/609458125.db2.gz XLNQDMKDSKPOIE-UHFFFAOYSA-N -1 3 375.314 3.025 20 0 GGADHM FC(F)(F)Oc1ccccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826368640 609458128 /nfs/dbraw/zinc/45/81/28/609458128.db2.gz XLNQDMKDSKPOIE-UHFFFAOYSA-N -1 3 375.314 3.025 20 0 GGADHM Cc1cc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)oc2c(Br)c1 ZINC000826256688 609459601 /nfs/dbraw/zinc/45/96/01/609459601.db2.gz WFGJTUNHDYGCRO-UHFFFAOYSA-N -1 3 399.208 3.331 20 0 GGADHM Cc1cc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)oc2c(Br)c1 ZINC000826256688 609459603 /nfs/dbraw/zinc/45/96/03/609459603.db2.gz WFGJTUNHDYGCRO-UHFFFAOYSA-N -1 3 399.208 3.331 20 0 GGADHM FC(F)(F)COc1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000826367914 609462144 /nfs/dbraw/zinc/46/21/44/609462144.db2.gz UHEUDGXZZDEEPN-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM FC(F)(F)COc1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000826367914 609462146 /nfs/dbraw/zinc/46/21/46/609462146.db2.gz UHEUDGXZZDEEPN-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM FC(F)(F)c1cccc(OCCNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000826368892 609462355 /nfs/dbraw/zinc/46/23/55/609462355.db2.gz FJHDORSHPXZZNS-UHFFFAOYSA-N -1 3 389.341 3.024 20 0 GGADHM FC(F)(F)c1cccc(OCCNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000826368892 609462357 /nfs/dbraw/zinc/46/23/57/609462357.db2.gz FJHDORSHPXZZNS-UHFFFAOYSA-N -1 3 389.341 3.024 20 0 GGADHM Brc1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000823832430 609463364 /nfs/dbraw/zinc/46/33/64/609463364.db2.gz NZAXZFKTQHLNGG-CYBMUJFWSA-N -1 3 396.252 3.376 20 0 GGADHM Brc1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000823832430 609463367 /nfs/dbraw/zinc/46/33/67/609463367.db2.gz NZAXZFKTQHLNGG-CYBMUJFWSA-N -1 3 396.252 3.376 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000825631460 609476465 /nfs/dbraw/zinc/47/64/65/609476465.db2.gz AERDRCGRUQGEDN-SFHVURJKSA-N -1 3 395.463 3.435 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000825631460 609476468 /nfs/dbraw/zinc/47/64/68/609476468.db2.gz AERDRCGRUQGEDN-SFHVURJKSA-N -1 3 395.463 3.435 20 0 GGADHM OCCOc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(C(F)(F)F)c1 ZINC000826510167 609479753 /nfs/dbraw/zinc/47/97/53/609479753.db2.gz AUCCUHJKBICYHI-UHFFFAOYSA-N -1 3 397.332 3.008 20 0 GGADHM OCCOc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(C(F)(F)F)c1 ZINC000826510167 609479756 /nfs/dbraw/zinc/47/97/56/609479756.db2.gz AUCCUHJKBICYHI-UHFFFAOYSA-N -1 3 397.332 3.008 20 0 GGADHM CO[C@H]1Cc2ccc(NCc3ccc(-c4nnn[n-]4)cc3OC(F)F)cc2C1 ZINC000826147250 609480961 /nfs/dbraw/zinc/48/09/61/609480961.db2.gz QWWPNLKTZUOZSK-INIZCTEOSA-N -1 3 387.390 3.194 20 0 GGADHM CO[C@H]1Cc2ccc(NCc3ccc(-c4nn[n-]n4)cc3OC(F)F)cc2C1 ZINC000826147250 609480963 /nfs/dbraw/zinc/48/09/63/609480963.db2.gz QWWPNLKTZUOZSK-INIZCTEOSA-N -1 3 387.390 3.194 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1Br ZINC000826186393 609481386 /nfs/dbraw/zinc/48/13/86/609481386.db2.gz QSIIKDAILUKJAV-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1Br ZINC000826186393 609481388 /nfs/dbraw/zinc/48/13/88/609481388.db2.gz QSIIKDAILUKJAV-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000826186079 609481430 /nfs/dbraw/zinc/48/14/30/609481430.db2.gz DCJICVXJLFSTKP-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000826186079 609481432 /nfs/dbraw/zinc/48/14/32/609481432.db2.gz DCJICVXJLFSTKP-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826315201 609481551 /nfs/dbraw/zinc/48/15/51/609481551.db2.gz BRXSYBAGDLSRKZ-CMDGGOBGSA-N -1 3 376.464 3.268 20 0 GGADHM Cc1ccncc1C=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826315201 609481552 /nfs/dbraw/zinc/48/15/52/609481552.db2.gz BRXSYBAGDLSRKZ-CMDGGOBGSA-N -1 3 376.464 3.268 20 0 GGADHM COc1cc(Br)cc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826176831 609482158 /nfs/dbraw/zinc/48/21/58/609482158.db2.gz GFPOAHKZUIQWTJ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(Br)cc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826176831 609482162 /nfs/dbraw/zinc/48/21/62/609482162.db2.gz GFPOAHKZUIQWTJ-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM CCn1cc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)cn1 ZINC000825799274 609482716 /nfs/dbraw/zinc/48/27/16/609482716.db2.gz HMFFORAHZFBXFY-UHFFFAOYSA-N -1 3 393.426 3.413 20 0 GGADHM CCn1cc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)cn1 ZINC000825799274 609482719 /nfs/dbraw/zinc/48/27/19/609482719.db2.gz HMFFORAHZFBXFY-UHFFFAOYSA-N -1 3 393.426 3.413 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1c(C(C)C)nc2sc(C)nn12 ZINC000826186526 609483571 /nfs/dbraw/zinc/48/35/71/609483571.db2.gz XCJYLQWUZBUNAC-UHFFFAOYSA-N -1 3 384.469 3.023 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1c(C(C)C)nc2sc(C)nn12 ZINC000826186526 609483573 /nfs/dbraw/zinc/48/35/73/609483573.db2.gz XCJYLQWUZBUNAC-UHFFFAOYSA-N -1 3 384.469 3.023 20 0 GGADHM Cc1ccnn1-c1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826315297 609484508 /nfs/dbraw/zinc/48/45/08/609484508.db2.gz FPSCQGHOSLTBST-UHFFFAOYSA-N -1 3 375.436 3.242 20 0 GGADHM Cc1ccnn1-c1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826315297 609484510 /nfs/dbraw/zinc/48/45/10/609484510.db2.gz FPSCQGHOSLTBST-UHFFFAOYSA-N -1 3 375.436 3.242 20 0 GGADHM Cc1ccnn1-c1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826315863 609484516 /nfs/dbraw/zinc/48/45/16/609484516.db2.gz WWBJITURDWBMIB-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM Cc1ccnn1-c1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826315863 609484518 /nfs/dbraw/zinc/48/45/18/609484518.db2.gz WWBJITURDWBMIB-UHFFFAOYSA-N -1 3 399.418 3.023 20 0 GGADHM CCOC(=O)Nc1ccc(NC[C@H]2CCOc3ccccc32)cc1-c1nnn[n-]1 ZINC000825552754 609487315 /nfs/dbraw/zinc/48/73/15/609487315.db2.gz DMNOTLHXEPKSTM-CYBMUJFWSA-N -1 3 394.435 3.413 20 0 GGADHM CCOC(=O)Nc1ccc(NC[C@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000825552754 609487317 /nfs/dbraw/zinc/48/73/17/609487317.db2.gz DMNOTLHXEPKSTM-CYBMUJFWSA-N -1 3 394.435 3.413 20 0 GGADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000826389333 609489611 /nfs/dbraw/zinc/48/96/11/609489611.db2.gz VRKWQAQALBTDDV-AWEZNQCLSA-N -1 3 393.394 3.074 20 0 GGADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000826389333 609489613 /nfs/dbraw/zinc/48/96/13/609489613.db2.gz VRKWQAQALBTDDV-AWEZNQCLSA-N -1 3 393.394 3.074 20 0 GGADHM COCc1noc([C@H](C)Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826165736 609490185 /nfs/dbraw/zinc/49/01/85/609490185.db2.gz IEJBMSMLMBATJZ-ZETCQYMHSA-N -1 3 386.359 3.268 20 0 GGADHM COCc1noc([C@H](C)Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826165736 609490187 /nfs/dbraw/zinc/49/01/87/609490187.db2.gz IEJBMSMLMBATJZ-ZETCQYMHSA-N -1 3 386.359 3.268 20 0 GGADHM CC(C)Oc1ccc(NCc2ccccc2N2CCOCC2)cc1-c1nnn[n-]1 ZINC000824329222 609492063 /nfs/dbraw/zinc/49/20/63/609492063.db2.gz LUJMTARNBSSQCZ-UHFFFAOYSA-N -1 3 394.479 3.103 20 0 GGADHM CC(C)Oc1ccc(NCc2ccccc2N2CCOCC2)cc1-c1nn[n-]n1 ZINC000824329222 609492065 /nfs/dbraw/zinc/49/20/65/609492065.db2.gz LUJMTARNBSSQCZ-UHFFFAOYSA-N -1 3 394.479 3.103 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)c1ccc(F)cn1 ZINC000826460865 609493599 /nfs/dbraw/zinc/49/35/99/609493599.db2.gz VTCDSDMGTJTHPL-UHFFFAOYSA-N -1 3 392.419 3.480 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)c1ccc(F)cn1 ZINC000826460865 609493600 /nfs/dbraw/zinc/49/36/00/609493600.db2.gz VTCDSDMGTJTHPL-UHFFFAOYSA-N -1 3 392.419 3.480 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1Cl ZINC000826161561 609496860 /nfs/dbraw/zinc/49/68/60/609496860.db2.gz OHBZHPXWTLFLCA-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1Cl ZINC000826161561 609496861 /nfs/dbraw/zinc/49/68/61/609496861.db2.gz OHBZHPXWTLFLCA-UHFFFAOYSA-N -1 3 388.815 3.189 20 0 GGADHM COCc1noc([C@@H](C)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000826165830 609506714 /nfs/dbraw/zinc/50/67/14/609506714.db2.gz LQAHUQGFHRLFIB-GFCCVEGCSA-N -1 3 393.407 3.362 20 0 GGADHM COCc1noc([C@H](C)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826166032 609506732 /nfs/dbraw/zinc/50/67/32/609506732.db2.gz SUKQWNSDBCSNCY-LBPRGKRZSA-N -1 3 393.407 3.362 20 0 GGADHM COCc1noc([C@H](C)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826166032 609506734 /nfs/dbraw/zinc/50/67/34/609506734.db2.gz SUKQWNSDBCSNCY-LBPRGKRZSA-N -1 3 393.407 3.362 20 0 GGADHM Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258139 609510452 /nfs/dbraw/zinc/51/04/52/609510452.db2.gz BFJBRDQHOQXUND-AWEZNQCLSA-N -1 3 399.458 3.342 20 0 GGADHM Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258139 609510454 /nfs/dbraw/zinc/51/04/54/609510454.db2.gz BFJBRDQHOQXUND-AWEZNQCLSA-N -1 3 399.458 3.342 20 0 GGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2F)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260616 609511556 /nfs/dbraw/zinc/51/15/56/609511556.db2.gz XGHPTISSAIVARO-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2F)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260616 609511558 /nfs/dbraw/zinc/51/15/58/609511558.db2.gz XGHPTISSAIVARO-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)N2CCCc3cc(C)ccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826293940 609511638 /nfs/dbraw/zinc/51/16/38/609511638.db2.gz FLIDGAUXOYOILK-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM Cc1cc(C(=O)N2CCCc3cc(C)ccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826293940 609511639 /nfs/dbraw/zinc/51/16/39/609511639.db2.gz FLIDGAUXOYOILK-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM Cc1cc(C(=O)N(C(C)C)C2CCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256833 609520517 /nfs/dbraw/zinc/52/05/17/609520517.db2.gz BSHLXTYSOREIHS-UHFFFAOYSA-N -1 3 379.468 3.154 20 0 GGADHM Cc1cc(C(=O)N(C(C)C)C2CCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256833 609520518 /nfs/dbraw/zinc/52/05/18/609520518.db2.gz BSHLXTYSOREIHS-UHFFFAOYSA-N -1 3 379.468 3.154 20 0 GGADHM Cc1cc(C(=O)N(C2CC2)C2CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257714 609521970 /nfs/dbraw/zinc/52/19/70/609521970.db2.gz MSNVNLFWNWKUOS-UHFFFAOYSA-N -1 3 391.479 3.298 20 0 GGADHM Cc1cc(C(=O)N(C2CC2)C2CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257714 609521971 /nfs/dbraw/zinc/52/19/71/609521971.db2.gz MSNVNLFWNWKUOS-UHFFFAOYSA-N -1 3 391.479 3.298 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000825972293 609522119 /nfs/dbraw/zinc/52/21/19/609522119.db2.gz ZMWFNHMGAIGJPV-IBGZPJMESA-N -1 3 377.448 3.033 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000825972293 609522121 /nfs/dbraw/zinc/52/21/21/609522121.db2.gz ZMWFNHMGAIGJPV-IBGZPJMESA-N -1 3 377.448 3.033 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826237736 609522477 /nfs/dbraw/zinc/52/24/77/609522477.db2.gz JSUBBQVQFNQNAC-CQSZACIVSA-N -1 3 398.854 3.336 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826237736 609522478 /nfs/dbraw/zinc/52/24/78/609522478.db2.gz JSUBBQVQFNQNAC-CQSZACIVSA-N -1 3 398.854 3.336 20 0 GGADHM CCN(c1ccccc1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825443208 609523758 /nfs/dbraw/zinc/52/37/58/609523758.db2.gz ABOVNNHTIMDOKU-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM CCN(c1ccccc1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825443208 609523759 /nfs/dbraw/zinc/52/37/59/609523759.db2.gz ABOVNNHTIMDOKU-UHFFFAOYSA-N -1 3 377.857 3.044 20 0 GGADHM Cc1c(Cl)cnc(N2CCC(c3nc4ccccc4[nH]3)CC2)c1-c1nnn[n-]1 ZINC000826237944 609526495 /nfs/dbraw/zinc/52/64/95/609526495.db2.gz RBBBIIWGZAKCTP-UHFFFAOYSA-N -1 3 394.870 3.484 20 0 GGADHM Cc1c(Cl)cnc(N2CCC(c3nc4ccccc4[nH]3)CC2)c1-c1nn[n-]n1 ZINC000826237944 609526497 /nfs/dbraw/zinc/52/64/97/609526497.db2.gz RBBBIIWGZAKCTP-UHFFFAOYSA-N -1 3 394.870 3.484 20 0 GGADHM Cc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257735 609528038 /nfs/dbraw/zinc/52/80/38/609528038.db2.gz NKOQMFZIEYHABH-AWEZNQCLSA-N -1 3 379.468 3.010 20 0 GGADHM Cc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257735 609528040 /nfs/dbraw/zinc/52/80/40/609528040.db2.gz NKOQMFZIEYHABH-AWEZNQCLSA-N -1 3 379.468 3.010 20 0 GGADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCO1 ZINC000825181048 609529956 /nfs/dbraw/zinc/52/99/56/609529956.db2.gz BVYKMFLQULONOZ-HOCLYGCPSA-N -1 3 394.435 3.198 20 0 GGADHM CC(C)c1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000824353095 609534058 /nfs/dbraw/zinc/53/40/58/609534058.db2.gz XQHWEGQNUIEIJB-UHFFFAOYSA-N -1 3 378.841 3.411 20 0 GGADHM CC(C)c1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824353095 609534059 /nfs/dbraw/zinc/53/40/59/609534059.db2.gz XQHWEGQNUIEIJB-UHFFFAOYSA-N -1 3 378.841 3.411 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000824641415 609534210 /nfs/dbraw/zinc/53/42/10/609534210.db2.gz VZARVWFEWSXEDK-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1Cl ZINC000824641415 609534212 /nfs/dbraw/zinc/53/42/12/609534212.db2.gz VZARVWFEWSXEDK-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM CSc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826230930 609534911 /nfs/dbraw/zinc/53/49/11/609534911.db2.gz PGOAOUFEBYXQBC-UHFFFAOYSA-N -1 3 382.854 3.010 20 0 GGADHM CSc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826230930 609534914 /nfs/dbraw/zinc/53/49/14/609534914.db2.gz PGOAOUFEBYXQBC-UHFFFAOYSA-N -1 3 382.854 3.010 20 0 GGADHM CC(C)Oc1c(F)cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000824314517 609538663 /nfs/dbraw/zinc/53/86/63/609538663.db2.gz CRSCUWOUKSBSLR-UHFFFAOYSA-N -1 3 395.316 3.463 20 0 GGADHM CC(C)Oc1c(F)cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000824314517 609538665 /nfs/dbraw/zinc/53/86/65/609538665.db2.gz CRSCUWOUKSBSLR-UHFFFAOYSA-N -1 3 395.316 3.463 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)[C@H]2CCCC[C@H]12 ZINC000824962131 609538788 /nfs/dbraw/zinc/53/87/88/609538788.db2.gz OPIYJJURMAOTRQ-KYOSRNDESA-N -1 3 395.916 3.109 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)[C@H]2CCCC[C@H]12 ZINC000824962131 609538790 /nfs/dbraw/zinc/53/87/90/609538790.db2.gz OPIYJJURMAOTRQ-KYOSRNDESA-N -1 3 395.916 3.109 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)[C@H]2CCCC[C@@H]12 ZINC000824962134 609538936 /nfs/dbraw/zinc/53/89/36/609538936.db2.gz OPIYJJURMAOTRQ-ZLDLUXBVSA-N -1 3 395.916 3.109 20 0 GGADHM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)[C@H]2CCCC[C@@H]12 ZINC000824962134 609538939 /nfs/dbraw/zinc/53/89/39/609538939.db2.gz OPIYJJURMAOTRQ-ZLDLUXBVSA-N -1 3 395.916 3.109 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826455033 609539310 /nfs/dbraw/zinc/53/93/10/609539310.db2.gz WLKMBKXXCOWMLV-KZNAEPCWSA-N -1 3 377.404 3.023 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826455033 609539311 /nfs/dbraw/zinc/53/93/11/609539311.db2.gz WLKMBKXXCOWMLV-KZNAEPCWSA-N -1 3 377.404 3.023 20 0 GGADHM Cc1nccn1-c1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1F ZINC000826240196 609539508 /nfs/dbraw/zinc/53/95/08/609539508.db2.gz IEVIAUDEVMOKLB-UHFFFAOYSA-N -1 3 398.833 3.469 20 0 GGADHM Cc1nccn1-c1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1F ZINC000826240196 609539510 /nfs/dbraw/zinc/53/95/10/609539510.db2.gz IEVIAUDEVMOKLB-UHFFFAOYSA-N -1 3 398.833 3.469 20 0 GGADHM CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825059565 609547439 /nfs/dbraw/zinc/54/74/39/609547439.db2.gz HAEXGZDQNFTRHU-RISCZKNCSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825059565 609547441 /nfs/dbraw/zinc/54/74/41/609547441.db2.gz HAEXGZDQNFTRHU-RISCZKNCSA-N -1 3 383.905 3.109 20 0 GGADHM COc1ccc(C[C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000826191752 609549786 /nfs/dbraw/zinc/54/97/86/609549786.db2.gz OXYVMTKOPUYYOY-JTQLQIEISA-N -1 3 388.859 3.284 20 0 GGADHM COc1ccc(C[C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000826191752 609549790 /nfs/dbraw/zinc/54/97/90/609549790.db2.gz OXYVMTKOPUYYOY-JTQLQIEISA-N -1 3 388.859 3.284 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826333800 609549829 /nfs/dbraw/zinc/54/98/29/609549829.db2.gz VSVTZAVOMJYHTC-NSHDSACASA-N -1 3 393.282 3.260 20 0 GGADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826333800 609549832 /nfs/dbraw/zinc/54/98/32/609549832.db2.gz VSVTZAVOMJYHTC-NSHDSACASA-N -1 3 393.282 3.260 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000826262276 609556486 /nfs/dbraw/zinc/55/64/86/609556486.db2.gz KIWLMCTVZKVBCV-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000826262276 609556489 /nfs/dbraw/zinc/55/64/89/609556489.db2.gz KIWLMCTVZKVBCV-SNVBAGLBSA-N -1 3 395.847 3.007 20 0 GGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000825252230 609558008 /nfs/dbraw/zinc/55/80/08/609558008.db2.gz HLVHZINLUNQFLT-NWDGAFQWSA-N -1 3 381.383 3.002 20 0 GGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000825252230 609558010 /nfs/dbraw/zinc/55/80/10/609558010.db2.gz HLVHZINLUNQFLT-NWDGAFQWSA-N -1 3 381.383 3.002 20 0 GGADHM CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000825252228 609558356 /nfs/dbraw/zinc/55/83/56/609558356.db2.gz HLVHZINLUNQFLT-NEPJUHHUSA-N -1 3 381.383 3.002 20 0 GGADHM CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000825252228 609558358 /nfs/dbraw/zinc/55/83/58/609558358.db2.gz HLVHZINLUNQFLT-NEPJUHHUSA-N -1 3 381.383 3.002 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCO1 ZINC000825183823 609562429 /nfs/dbraw/zinc/56/24/29/609562429.db2.gz PYJDFWDISNPBDW-HZPDHXFCSA-N -1 3 397.504 3.417 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259140 609567813 /nfs/dbraw/zinc/56/78/13/609567813.db2.gz JDTZWDGJSUWIDZ-HLLBOEOZSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259140 609567816 /nfs/dbraw/zinc/56/78/16/609567816.db2.gz JDTZWDGJSUWIDZ-HLLBOEOZSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259575 609568107 /nfs/dbraw/zinc/56/81/07/609568107.db2.gz WTGLEPBSODTTNE-MSOLQXFVSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259575 609568108 /nfs/dbraw/zinc/56/81/08/609568108.db2.gz WTGLEPBSODTTNE-MSOLQXFVSA-N -1 3 391.479 3.059 20 0 GGADHM Cc1ccn(-c2ccccc2CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826308634 609578637 /nfs/dbraw/zinc/57/86/37/609578637.db2.gz IQFHEEWARBYYKQ-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM Cc1ccn(-c2ccccc2CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826308634 609578640 /nfs/dbraw/zinc/57/86/40/609578640.db2.gz IQFHEEWARBYYKQ-UHFFFAOYSA-N -1 3 380.843 3.330 20 0 GGADHM Cc1cc(C(=O)N2CCCc3c(C)cccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826305090 609580601 /nfs/dbraw/zinc/58/06/01/609580601.db2.gz KBXGYUOBQFBKJW-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM Cc1cc(C(=O)N2CCCc3c(C)cccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826305090 609580602 /nfs/dbraw/zinc/58/06/02/609580602.db2.gz KBXGYUOBQFBKJW-UHFFFAOYSA-N -1 3 399.458 3.262 20 0 GGADHM CCc1ccc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000825712664 609580629 /nfs/dbraw/zinc/58/06/29/609580629.db2.gz ULTKLWNIYYSWHT-UHFFFAOYSA-N -1 3 391.410 3.315 20 0 GGADHM CCc1ccc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000825712664 609580630 /nfs/dbraw/zinc/58/06/30/609580630.db2.gz ULTKLWNIYYSWHT-UHFFFAOYSA-N -1 3 391.410 3.315 20 0 GGADHM C[C@@H]1CC(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H](C)C1 ZINC000824875260 609582450 /nfs/dbraw/zinc/58/24/50/609582450.db2.gz KFYIEDHPRBAIGU-DIOPXHOYSA-N -1 3 398.511 3.140 20 0 GGADHM C[C@@H]1CC(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)C[C@@H](C)C1 ZINC000824875260 609582451 /nfs/dbraw/zinc/58/24/51/609582451.db2.gz KFYIEDHPRBAIGU-DIOPXHOYSA-N -1 3 398.511 3.140 20 0 GGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826459820 609584856 /nfs/dbraw/zinc/58/48/56/609584856.db2.gz AMBJOYHMNMAFRH-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1nc(Cc2ccccc2)cs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826459820 609584859 /nfs/dbraw/zinc/58/48/59/609584859.db2.gz AMBJOYHMNMAFRH-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824492473 609592602 /nfs/dbraw/zinc/59/26/02/609592602.db2.gz ZISVHAFQRVDGSY-SUNKGSAMSA-N -1 3 382.390 3.300 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824492473 609592603 /nfs/dbraw/zinc/59/26/03/609592603.db2.gz ZISVHAFQRVDGSY-SUNKGSAMSA-N -1 3 382.390 3.300 20 0 GGADHM Cc1cc(C(=O)N(CC2CC2)c2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258023 609594261 /nfs/dbraw/zinc/59/42/61/609594261.db2.gz XBPZSJQYYDALGM-UHFFFAOYSA-N -1 3 399.458 3.418 20 0 GGADHM Cc1cc(C(=O)N(CC2CC2)c2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258023 609594263 /nfs/dbraw/zinc/59/42/63/609594263.db2.gz XBPZSJQYYDALGM-UHFFFAOYSA-N -1 3 399.458 3.418 20 0 GGADHM Cc1c(Cl)cnc(NCC2(NC(=O)OC(C)(C)C)CCC2)c1-c1nnn[n-]1 ZINC000826239430 609594404 /nfs/dbraw/zinc/59/44/04/609594404.db2.gz HMRZJGFMIKXNRK-UHFFFAOYSA-N -1 3 393.879 3.083 20 0 GGADHM Cc1c(Cl)cnc(NCC2(NC(=O)OC(C)(C)C)CCC2)c1-c1nn[n-]n1 ZINC000826239430 609594407 /nfs/dbraw/zinc/59/44/07/609594407.db2.gz HMRZJGFMIKXNRK-UHFFFAOYSA-N -1 3 393.879 3.083 20 0 GGADHM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cnc1N1CCCC[C@@H]1C ZINC000826270868 609598862 /nfs/dbraw/zinc/59/88/62/609598862.db2.gz RSBYQWIWYWMMGG-AWEZNQCLSA-N -1 3 377.452 3.201 20 0 GGADHM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cnc1N1CCCC[C@@H]1C ZINC000826270868 609598865 /nfs/dbraw/zinc/59/88/65/609598865.db2.gz RSBYQWIWYWMMGG-AWEZNQCLSA-N -1 3 377.452 3.201 20 0 GGADHM CO[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1 ZINC000826166531 609600160 /nfs/dbraw/zinc/60/01/60/609600160.db2.gz OXBWJQKOHHLWMD-MRXNPFEDSA-N -1 3 392.444 3.316 20 0 GGADHM CO[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1 ZINC000826166531 609600162 /nfs/dbraw/zinc/60/01/62/609600162.db2.gz OXBWJQKOHHLWMD-MRXNPFEDSA-N -1 3 392.444 3.316 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(-c3nnn[n-]3)cc1)[C@H](C)C2 ZINC000826294122 609601263 /nfs/dbraw/zinc/60/12/63/609601263.db2.gz JJIUVVLBRQTTHF-VLIAUNLRSA-N -1 3 393.516 3.458 20 0 GGADHM Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(-c3nn[n-]n3)cc1)[C@H](C)C2 ZINC000826294122 609601266 /nfs/dbraw/zinc/60/12/66/609601266.db2.gz JJIUVVLBRQTTHF-VLIAUNLRSA-N -1 3 393.516 3.458 20 0 GGADHM CC[C@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)c2cccc(Cl)c2O1 ZINC000825201592 609602488 /nfs/dbraw/zinc/60/24/88/609602488.db2.gz HCUSGCISYGJJIU-VIFPVBQESA-N -1 3 375.841 3.399 20 0 GGADHM CC[C@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)c2cccc(Cl)c2O1 ZINC000825201592 609602490 /nfs/dbraw/zinc/60/24/90/609602490.db2.gz HCUSGCISYGJJIU-VIFPVBQESA-N -1 3 375.841 3.399 20 0 GGADHM Brc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000823827202 609604129 /nfs/dbraw/zinc/60/41/29/609604129.db2.gz XHQCQMDFPKVAQX-JTQLQIEISA-N -1 3 377.271 3.427 20 0 GGADHM Brc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000823827202 609604130 /nfs/dbraw/zinc/60/41/30/609604130.db2.gz XHQCQMDFPKVAQX-JTQLQIEISA-N -1 3 377.271 3.427 20 0 GGADHM Brc1ccc([C@H]2CCCN2c2ncccc2-c2nnn[n-]2)s1 ZINC000823827205 609604177 /nfs/dbraw/zinc/60/41/77/609604177.db2.gz XIARLMMPCGGDJO-SNVBAGLBSA-N -1 3 377.271 3.427 20 0 GGADHM Brc1ccc([C@H]2CCCN2c2ncccc2-c2nn[n-]n2)s1 ZINC000823827205 609604178 /nfs/dbraw/zinc/60/41/78/609604178.db2.gz XIARLMMPCGGDJO-SNVBAGLBSA-N -1 3 377.271 3.427 20 0 GGADHM Brc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000823827192 609604425 /nfs/dbraw/zinc/60/44/25/609604425.db2.gz WVNDQFAULKZCAR-NSHDSACASA-N -1 3 377.271 3.427 20 0 GGADHM Brc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000823827192 609604427 /nfs/dbraw/zinc/60/44/27/609604427.db2.gz WVNDQFAULKZCAR-NSHDSACASA-N -1 3 377.271 3.427 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824488724 609605883 /nfs/dbraw/zinc/60/58/83/609605883.db2.gz HRQQXKGGCURULY-SUNKGSAMSA-N -1 3 382.390 3.300 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824488724 609605885 /nfs/dbraw/zinc/60/58/85/609605885.db2.gz HRQQXKGGCURULY-SUNKGSAMSA-N -1 3 382.390 3.300 20 0 GGADHM CCCCCN(CCCOC)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825272146 609606508 /nfs/dbraw/zinc/60/65/08/609606508.db2.gz WQGQFAVVKGEMQW-UHFFFAOYSA-N -1 3 391.520 3.484 20 0 GGADHM CCCCCN(CCCOC)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825272146 609606511 /nfs/dbraw/zinc/60/65/11/609606511.db2.gz WQGQFAVVKGEMQW-UHFFFAOYSA-N -1 3 391.520 3.484 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826417430 609606864 /nfs/dbraw/zinc/60/68/64/609606864.db2.gz QQZWQPYXLZGSOS-UHFFFAOYSA-N -1 3 395.753 3.139 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncccc1-c1ccccc1 ZINC000824739654 609608353 /nfs/dbraw/zinc/60/83/53/609608353.db2.gz YUVQJDHDXKHTHD-AWEZNQCLSA-N -1 3 386.415 3.335 20 0 GGADHM Fc1cccc([C@H](NCCOc2ccccc2-c2nnn[n-]2)C(F)(F)F)c1F ZINC000826376932 609608738 /nfs/dbraw/zinc/60/87/38/609608738.db2.gz YMLNKSLZSJDNSC-HNNXBMFYSA-N -1 3 399.323 3.417 20 0 GGADHM Fc1cccc([C@H](NCCOc2ccccc2-c2nn[n-]n2)C(F)(F)F)c1F ZINC000826376932 609608740 /nfs/dbraw/zinc/60/87/40/609608740.db2.gz YMLNKSLZSJDNSC-HNNXBMFYSA-N -1 3 399.323 3.417 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ncccc1C(F)(F)F ZINC000826465368 609613677 /nfs/dbraw/zinc/61/36/77/609613677.db2.gz JXFUYCFCZQWHOD-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ncccc1C(F)(F)F ZINC000826465368 609613678 /nfs/dbraw/zinc/61/36/78/609613678.db2.gz JXFUYCFCZQWHOD-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)c21 ZINC000826217540 609614292 /nfs/dbraw/zinc/61/42/92/609614292.db2.gz REYTYTFHXGLDJV-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)c21 ZINC000826217540 609614293 /nfs/dbraw/zinc/61/42/93/609614293.db2.gz REYTYTFHXGLDJV-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM O=C(Cc1c[nH]c2cc(F)ccc12)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826421518 609614668 /nfs/dbraw/zinc/61/46/68/609614668.db2.gz LZSZREHWMNMBLT-UHFFFAOYSA-N -1 3 385.786 3.426 20 0 GGADHM O=C(Cc1c[nH]c2cc(F)ccc12)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826421518 609614670 /nfs/dbraw/zinc/61/46/70/609614670.db2.gz LZSZREHWMNMBLT-UHFFFAOYSA-N -1 3 385.786 3.426 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccnc1N1CCCCC1 ZINC000826465675 609617989 /nfs/dbraw/zinc/61/79/89/609617989.db2.gz WUDVRXBSKVULNU-UHFFFAOYSA-N -1 3 398.854 3.262 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccnc1N1CCCCC1 ZINC000826465675 609617991 /nfs/dbraw/zinc/61/79/91/609617991.db2.gz WUDVRXBSKVULNU-UHFFFAOYSA-N -1 3 398.854 3.262 20 0 GGADHM COc1cccc(SCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826217320 609618764 /nfs/dbraw/zinc/61/87/64/609618764.db2.gz HUPFCDRFFCIIGU-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM COc1cccc(SCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826217320 609618766 /nfs/dbraw/zinc/61/87/66/609618766.db2.gz HUPFCDRFFCIIGU-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM O=C(COc1ccc(F)cc1Cl)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826418150 609619357 /nfs/dbraw/zinc/61/93/57/609619357.db2.gz SLUTZWCAVKBUOH-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(COc1ccc(F)cc1Cl)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826418150 609619358 /nfs/dbraw/zinc/61/93/58/609619358.db2.gz SLUTZWCAVKBUOH-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(NCC[C@H]1CCCCO1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826436472 609620641 /nfs/dbraw/zinc/62/06/41/609620641.db2.gz VBNXRDSXZWKEBC-QGZVFWFLSA-N -1 3 393.447 3.348 20 0 GGADHM O=C(NCC[C@H]1CCCCO1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826436472 609620642 /nfs/dbraw/zinc/62/06/42/609620642.db2.gz VBNXRDSXZWKEBC-QGZVFWFLSA-N -1 3 393.447 3.348 20 0 GGADHM CN(C)[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000825851085 609622569 /nfs/dbraw/zinc/62/25/69/609622569.db2.gz UIVDHDMCVIYBOB-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM CN(C)[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000825851085 609622571 /nfs/dbraw/zinc/62/25/71/609622571.db2.gz UIVDHDMCVIYBOB-MRXNPFEDSA-N -1 3 389.818 3.005 20 0 GGADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000824714421 609633605 /nfs/dbraw/zinc/63/36/05/609633605.db2.gz MIHMHUKSQOZFOC-MEBBXXQBSA-N -1 3 392.337 3.223 20 0 GGADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000824714421 609633607 /nfs/dbraw/zinc/63/36/07/609633607.db2.gz MIHMHUKSQOZFOC-MEBBXXQBSA-N -1 3 392.337 3.223 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2cc(Br)ccc2F)[n-]n1 ZINC000543762417 650923003 /nfs/dbraw/zinc/92/30/03/650923003.db2.gz SPBXDOQDNMIDAA-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2cc(Br)ccc2F)n[n-]1 ZINC000543762417 650923007 /nfs/dbraw/zinc/92/30/07/650923007.db2.gz SPBXDOQDNMIDAA-UHFFFAOYSA-N -1 3 384.205 3.059 20 0 GGADHM COC(=O)c1ccoc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000053020221 1406262641 /nfs/dbraw/zinc/26/26/41/1406262641.db2.gz SOPLAJCCUUZYGC-UHFFFAOYSA-N -1 3 392.839 3.276 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ccoc1 ZINC000053020912 1406263370 /nfs/dbraw/zinc/26/33/70/1406263370.db2.gz GXHSVJCAEOHUJB-UHFFFAOYSA-N -1 3 388.420 3.458 20 0 GGADHM CC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000053058566 1406278718 /nfs/dbraw/zinc/27/87/18/1406278718.db2.gz ZHTVJKZLIBSKRZ-CYBMUJFWSA-N -1 3 379.457 3.359 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)nc3C(F)(F)F)c2)n1 ZINC000053060916 1406280285 /nfs/dbraw/zinc/28/02/85/1406280285.db2.gz XDZYPPHVQQTYIY-UHFFFAOYSA-N -1 3 391.353 3.004 20 0 GGADHM CC(C)(C)CCNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000053210793 1406327067 /nfs/dbraw/zinc/32/70/67/1406327067.db2.gz LHOPHKWGLCVVLE-UHFFFAOYSA-N -1 3 385.493 3.166 20 0 GGADHM COc1cc([C@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1OC1CCCC1 ZINC000053483961 1406413203 /nfs/dbraw/zinc/41/32/03/1406413203.db2.gz WGUBUNVXAKETDK-ZDUSSCGKSA-N -1 3 399.491 3.137 20 0 GGADHM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000053721420 1406489869 /nfs/dbraw/zinc/48/98/69/1406489869.db2.gz MCUXXQMPHUCPMF-OAHLLOKOSA-N -1 3 375.428 3.019 20 0 GGADHM Cc1cc(O[C@H](C)C(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1C(C)C ZINC000053742773 1406498697 /nfs/dbraw/zinc/49/86/97/1406498697.db2.gz JLRWFMYBLDCVRM-MRXNPFEDSA-N -1 3 384.476 3.138 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000053741178 1406498751 /nfs/dbraw/zinc/49/87/51/1406498751.db2.gz QWWKJOFVYQVCNM-UHFFFAOYSA-N -1 3 394.452 3.173 20 0 GGADHM CCOc1ccc(-c2csc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000053827499 1406526294 /nfs/dbraw/zinc/52/62/94/1406526294.db2.gz KQGWDZYWWKFACB-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM CCCc1ccc(C(=O)Cc2nc(=O)c3c(C)c(C(=O)NC)sc3[n-]2)cc1 ZINC000053844330 1406531182 /nfs/dbraw/zinc/53/11/82/1406531182.db2.gz LJWVPVBSGRMFKQ-UHFFFAOYSA-N -1 3 383.473 3.031 20 0 GGADHM O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc2c(cc1[O-])OCO2 ZINC000053998177 1406582878 /nfs/dbraw/zinc/58/28/78/1406582878.db2.gz APYLWCPOOGDEFU-UHFFFAOYSA-N -1 3 398.802 3.237 20 0 GGADHM CC(C)(C)OC(=O)N(CCCNC(=O)c1c[n-]c2ccccc2c1=O)C1CC1 ZINC000054080583 1406610118 /nfs/dbraw/zinc/61/01/18/1406610118.db2.gz LGNCOUTXFXVBTN-UHFFFAOYSA-N -1 3 385.464 3.048 20 0 GGADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)o1 ZINC000054113872 1406620877 /nfs/dbraw/zinc/62/08/77/1406620877.db2.gz STUXXCRJQPKUBC-UHFFFAOYSA-N -1 3 394.460 3.198 20 0 GGADHM COc1cccc(C(=O)NNC(=O)c2ccccc2-c2ccccc2C#N)c1[O-] ZINC000054144464 1406631694 /nfs/dbraw/zinc/63/16/94/1406631694.db2.gz QWONCFRFCMJAHA-UHFFFAOYSA-N -1 3 387.395 3.014 20 0 GGADHM Cc1nccn1C[C@H](C)CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000054625280 1406789653 /nfs/dbraw/zinc/78/96/53/1406789653.db2.gz ZSKIEFPLPINNPV-OAHLLOKOSA-N -1 3 398.536 3.264 20 0 GGADHM Cc1nccn1C[C@@H](C)CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000054625281 1406790374 /nfs/dbraw/zinc/79/03/74/1406790374.db2.gz ZSKIEFPLPINNPV-HNNXBMFYSA-N -1 3 398.536 3.264 20 0 GGADHM CN(CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)Cc1ccccc1 ZINC000054761881 1406820243 /nfs/dbraw/zinc/82/02/43/1406820243.db2.gz PWAORTKEAWJLTQ-UHFFFAOYSA-N -1 3 395.503 3.129 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000054910638 1406848773 /nfs/dbraw/zinc/84/87/73/1406848773.db2.gz WCUPDLODWVANNA-UHFFFAOYSA-N -1 3 387.241 3.003 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(OC)cc2)cc1OC ZINC000054984328 1406865655 /nfs/dbraw/zinc/86/56/55/1406865655.db2.gz BCQIFKHGLCMRKD-UHFFFAOYSA-N -1 3 395.506 3.274 20 0 GGADHM CC[C@@H](C)C(=O)Nc1cccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000055007570 1406869168 /nfs/dbraw/zinc/86/91/68/1406869168.db2.gz LKOKWUPFIGUOGX-RMENWYJGSA-N -1 3 377.444 3.072 20 0 GGADHM O=C(c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1)N1CCCCC1 ZINC000055010366 1406869763 /nfs/dbraw/zinc/86/97/63/1406869763.db2.gz OGOYKJRJSOPTSZ-RGEXLXHISA-N -1 3 375.428 3.036 20 0 GGADHM CC(C)NC(=O)c1ccc(Cl)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000055008301 1406869804 /nfs/dbraw/zinc/86/98/04/1406869804.db2.gz ONYUONXRLSXGSV-MHWRWJLKSA-N -1 3 383.835 3.201 20 0 GGADHM O=C1[N-]C(=O)/C(=C\NCc2ccc(OCc3ccccn3)cc2)c2ccccc21 ZINC000055010193 1406869951 /nfs/dbraw/zinc/86/99/51/1406869951.db2.gz RFVRVDDCCOESDC-STZFKDTASA-N -1 3 385.423 3.061 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1F ZINC000055114887 1406888494 /nfs/dbraw/zinc/88/84/94/1406888494.db2.gz ISKIMGUTXUXFKR-GOSISDBHSA-N -1 3 388.464 3.050 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000055162880 1406897007 /nfs/dbraw/zinc/89/70/07/1406897007.db2.gz OZHGTKCAVVOTRC-UHFFFAOYSA-N -1 3 396.365 3.360 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000055267622 1406917488 /nfs/dbraw/zinc/91/74/88/1406917488.db2.gz FDUUWASZPYJSEJ-CYBMUJFWSA-N -1 3 387.461 3.305 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 ZINC000055283928 1406919590 /nfs/dbraw/zinc/91/95/90/1406919590.db2.gz SLZBXXWPDFAUKZ-UHFFFAOYSA-N -1 3 382.338 3.222 20 0 GGADHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000055320388 1406929733 /nfs/dbraw/zinc/92/97/33/1406929733.db2.gz GVFHIZBOWSZVBP-UHFFFAOYSA-N -1 3 396.896 3.125 20 0 GGADHM COc1ccccc1CC(=O)N[N-]C(=O)c1cccnc1Sc1ccccc1 ZINC000055352772 1406937707 /nfs/dbraw/zinc/93/77/07/1406937707.db2.gz RZESYMLOFXAJLF-UHFFFAOYSA-N -1 3 393.468 3.245 20 0 GGADHM Cc1cccc(C)c1OCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000055399767 1406949156 /nfs/dbraw/zinc/94/91/56/1406949156.db2.gz VNNRKTDHHRAARJ-LJQANCHMSA-N -1 3 396.487 3.199 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(N)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000005094676 1398414016 /nfs/dbraw/zinc/41/40/16/1398414016.db2.gz FDGXVXYSWOKCBQ-QMMMGPOBSA-N -1 3 388.405 3.010 20 0 GGADHM O=S(=O)([N-]c1ccccc1I)c1ccc(Cl)nc1 ZINC000005126396 1398415942 /nfs/dbraw/zinc/41/59/42/1398415942.db2.gz WLWBRQMPSHZVPQ-UHFFFAOYSA-N -1 3 394.621 3.140 20 0 GGADHM COc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(Cl)c1[O-] ZINC000005156014 1398417484 /nfs/dbraw/zinc/41/74/84/1398417484.db2.gz XAIVHJKTIVXRDS-RUDMXATFSA-N -1 3 395.864 3.201 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1N1CCCCC1=O ZINC000005330234 1398435322 /nfs/dbraw/zinc/43/53/22/1398435322.db2.gz YPEVUJIZHFVYMZ-UHFFFAOYSA-N -1 3 392.452 3.460 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)COc3ccccc3F)nc(=O)c2c1C ZINC000005989586 1398499331 /nfs/dbraw/zinc/49/93/31/1398499331.db2.gz RLKAEVJSSZVFNA-SNVBAGLBSA-N -1 3 376.409 3.424 20 0 GGADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000006063319 1398524750 /nfs/dbraw/zinc/52/47/50/1398524750.db2.gz RCQAVTHPLXBHFP-UHFFFAOYSA-N -1 3 375.380 3.419 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nnc(-c4ccncc4)n3C)cc(=O)oc12 ZINC000006137682 1398534214 /nfs/dbraw/zinc/53/42/14/1398534214.db2.gz BKKDTWYQBWOZSB-UHFFFAOYSA-N -1 3 380.429 3.290 20 0 GGADHM O=C([N-]NC(=O)c1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006337234 1398543892 /nfs/dbraw/zinc/54/38/92/1398543892.db2.gz BNDBQYWUVJLWQO-UHFFFAOYSA-N -1 3 398.600 3.086 20 0 GGADHM O=C(COC(=O)c1ccc(COc2ccccc2)cc1)[N-]C(=O)c1cccs1 ZINC000007047503 1398589411 /nfs/dbraw/zinc/58/94/11/1398589411.db2.gz UKOMLDBEWJYLFY-UHFFFAOYSA-N -1 3 395.436 3.441 20 0 GGADHM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000007109521 1398599648 /nfs/dbraw/zinc/59/96/48/1398599648.db2.gz ZZBGWLOKQJUUQA-UHFFFAOYSA-N -1 3 399.438 3.258 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccc(F)c(F)c1 ZINC000007217813 1398631658 /nfs/dbraw/zinc/63/16/58/1398631658.db2.gz FQYCRBHRLNNEEM-UHFFFAOYSA-N -1 3 395.214 3.189 20 0 GGADHM O=c1[n-]nc(SCc2nc(-c3ccsc3)no2)n1CCc1ccccc1 ZINC000007301227 1398650581 /nfs/dbraw/zinc/65/05/81/1398650581.db2.gz JENQKKNCIMOZRT-UHFFFAOYSA-N -1 3 385.474 3.218 20 0 GGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000007385631 1398666709 /nfs/dbraw/zinc/66/67/09/1398666709.db2.gz IHHPPHNGNALVDH-UHFFFAOYSA-N -1 3 380.779 3.071 20 0 GGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2[nH]1 ZINC000007486124 1398688923 /nfs/dbraw/zinc/68/89/23/1398688923.db2.gz JNFVWOYIRSQSCK-UHFFFAOYSA-N -1 3 395.440 3.236 20 0 GGADHM O=S(=O)([N-]C[C@H]1COC2(CCCCC2)O1)c1cc(Cl)ccc1Cl ZINC000007595543 1398710868 /nfs/dbraw/zinc/71/08/68/1398710868.db2.gz IKYQPWAMYLSVJI-LBPRGKRZSA-N -1 3 380.293 3.348 20 0 GGADHM Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000007618777 1398713697 /nfs/dbraw/zinc/71/36/97/1398713697.db2.gz ZZTSOJPYWMOADT-UHFFFAOYSA-N -1 3 386.454 3.293 20 0 GGADHM Cc1occc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000055474224 1406975675 /nfs/dbraw/zinc/97/56/75/1406975675.db2.gz JRULBCUTSDXWKX-UHFFFAOYSA-N -1 3 391.424 3.128 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3COc4ccccc4O3)nc(=O)c2c1C ZINC000008012309 1398791461 /nfs/dbraw/zinc/79/14/61/1398791461.db2.gz MVXFPUBMTABVMC-HZMBPMFUSA-N -1 3 386.429 3.046 20 0 GGADHM CCOCCCNC(=O)Cc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000055491073 1406980939 /nfs/dbraw/zinc/98/09/39/1406980939.db2.gz OWPFNXOPZKXAPM-UHFFFAOYSA-N -1 3 391.518 3.107 20 0 GGADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2[nH]1 ZINC000008588801 1398841076 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GGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000024581089 1399645751 /nfs/dbraw/zinc/64/57/51/1399645751.db2.gz NRJNRYCHILVMTN-HNNXBMFYSA-N -1 3 376.445 3.454 20 0 GGADHM O=C([N-]NC(=O)C1(c2ccc(Br)cc2)CCC1)c1ccccc1F ZINC000024765358 1399668403 /nfs/dbraw/zinc/66/84/03/1399668403.db2.gz AFLLTJWPENZQBL-UHFFFAOYSA-N -1 3 391.240 3.471 20 0 GGADHM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2[n-]c1=S ZINC000024810412 1399674922 /nfs/dbraw/zinc/67/49/22/1399674922.db2.gz VWIOKRFVSVIVGX-UHFFFAOYSA-N -1 3 394.500 3.185 20 0 GGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024865411 1399682073 /nfs/dbraw/zinc/68/20/73/1399682073.db2.gz JVGOYDRJVPZAGQ-LBPRGKRZSA-N -1 3 394.443 3.239 20 0 GGADHM Cc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000024891125 1399686944 /nfs/dbraw/zinc/68/69/44/1399686944.db2.gz HHVORHNPPUMIOV-UHFFFAOYSA-N -1 3 389.477 3.102 20 0 GGADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024894318 1399687633 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GGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027682524 1400075794 /nfs/dbraw/zinc/07/57/94/1400075794.db2.gz YORXICAWJDIRIR-CYBMUJFWSA-N -1 3 383.835 3.425 20 0 GGADHM CCOc1c(Cl)cc(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1OC ZINC000027687130 1400076967 /nfs/dbraw/zinc/07/69/67/1400076967.db2.gz AFYBCAMGPWWAKF-UHFFFAOYSA-N -1 3 399.834 3.370 20 0 GGADHM O=C(Cc1coc2cc3c(cc12)CCC3)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027686831 1400077215 /nfs/dbraw/zinc/07/72/15/1400077215.db2.gz JSNYOJNMQDXSKJ-UHFFFAOYSA-N -1 3 385.423 3.473 20 0 GGADHM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000028021442 1400119264 /nfs/dbraw/zinc/11/92/64/1400119264.db2.gz JGNMEMVCSIMGAH-UHFFFAOYSA-N -1 3 388.474 3.137 20 0 GGADHM CCOc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1OCC ZINC000028020794 1400119423 /nfs/dbraw/zinc/11/94/23/1400119423.db2.gz HCRNOBUJBNPCCA-UHFFFAOYSA-N -1 3 378.450 3.108 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000028040798 1400121576 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GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)cc2C[C@@H]1C ZINC000028678981 1400184277 /nfs/dbraw/zinc/18/42/77/1400184277.db2.gz QUVABJDVKWRUCA-NSHDSACASA-N -1 3 396.415 3.386 20 0 GGADHM CN(C)c1nc([O-])c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000028757087 1400192838 /nfs/dbraw/zinc/19/28/38/1400192838.db2.gz NJOWAGNMRAYUQU-SNVBAGLBSA-N -1 3 379.791 3.247 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(Br)cc2)cc1 ZINC000029008174 1400224596 /nfs/dbraw/zinc/22/45/96/1400224596.db2.gz ROOUJAKVXIUCFD-UHFFFAOYSA-N -1 3 384.251 3.178 20 0 GGADHM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029048365 1400229614 /nfs/dbraw/zinc/22/96/14/1400229614.db2.gz QRIQPEHGCHOKAA-UHFFFAOYSA-N -1 3 376.478 3.190 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000029047722 1400229745 /nfs/dbraw/zinc/22/97/45/1400229745.db2.gz MAFWZPGCHFZKPM-UHFFFAOYSA-N -1 3 399.476 3.265 20 0 GGADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000029047603 1400229797 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377.238 3.312 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)n3ccnc3)cc2)cc1 ZINC000045031768 1404040076 /nfs/dbraw/zinc/04/00/76/1404040076.db2.gz NSUCGUBKPSTQJF-HNNXBMFYSA-N -1 3 384.461 3.192 20 0 GGADHM CC[C@@H](C)NC(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000045101757 1404054744 /nfs/dbraw/zinc/05/47/44/1404054744.db2.gz JUAPSORIWVVVSY-CZUORRHYSA-N -1 3 399.520 3.140 20 0 GGADHM Cc1noc([C@@H](C)Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000045104505 1404055323 /nfs/dbraw/zinc/05/53/23/1404055323.db2.gz XCIUKIVLSQTOKG-MRVPVSSYSA-N -1 3 388.840 3.307 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000045150103 1404063807 /nfs/dbraw/zinc/06/38/07/1404063807.db2.gz GPQWISZYZVGJGD-HXUWFJFHSA-N -1 3 381.476 3.257 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])N[C@H]1CCSc2ccc(Cl)cc21 ZINC000045269950 1404089170 /nfs/dbraw/zinc/08/91/70/1404089170.db2.gz AGDJNZQYXHVOBK-ZDUSSCGKSA-N -1 3 377.853 3.227 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccs2)ccc1F ZINC000045314544 1404097435 /nfs/dbraw/zinc/09/74/35/1404097435.db2.gz AYHIAQRMXTWLAJ-HNNXBMFYSA-N -1 3 394.493 3.329 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)ccc1F ZINC000045341711 1404101724 /nfs/dbraw/zinc/10/17/24/1404101724.db2.gz DAHMGIBUGPXLIR-UHFFFAOYSA-N -1 3 393.827 3.067 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1F ZINC000045342034 1404102615 /nfs/dbraw/zinc/10/26/15/1404102615.db2.gz IOUKYPRDXBQSPF-LJQANCHMSA-N -1 3 388.464 3.171 20 0 GGADHM O=C(NCc1coc(-c2cccs2)n1)N[N-]C(=O)c1ccccc1Cl ZINC000045345601 1404102998 /nfs/dbraw/zinc/10/29/98/1404102998.db2.gz FKQFJPSPHWJGJN-UHFFFAOYSA-N -1 3 376.825 3.201 20 0 GGADHM CC(C)(C)c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)no1 ZINC000045516803 1404136583 /nfs/dbraw/zinc/13/65/83/1404136583.db2.gz DSFZGNDPBBUIRZ-UHFFFAOYSA-N -1 3 382.449 3.082 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000045744564 1404192580 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CC(C)Oc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000045996836 1404266906 /nfs/dbraw/zinc/26/69/06/1404266906.db2.gz VPWHGFYRTBZESM-UHFFFAOYSA-N -1 3 392.452 3.306 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1F ZINC000045996976 1404267334 /nfs/dbraw/zinc/26/73/34/1404267334.db2.gz OSMODUFYDMNMQM-UHFFFAOYSA-N -1 3 392.452 3.330 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C(=O)OC)c3)c2)n1 ZINC000046067278 1404287929 /nfs/dbraw/zinc/28/79/29/1404287929.db2.gz OREBIJLCHRBLKT-UHFFFAOYSA-N -1 3 377.400 3.038 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COCc3ccc(OC)cc3)c2)n1 ZINC000046067045 1404288218 /nfs/dbraw/zinc/28/82/18/1404288218.db2.gz LYNWIVMXDOETRU-UHFFFAOYSA-N -1 3 393.443 3.163 20 0 GGADHM CC(C)(C)c1nnc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)o1 ZINC000046084276 1404292946 /nfs/dbraw/zinc/29/29/46/1404292946.db2.gz ZNGOKLGGRKNMJU-UHFFFAOYSA-N -1 3 382.449 3.082 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1F ZINC000046112821 1404300620 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390.480 3.317 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cc(F)ccc32)ccc1F ZINC000046295197 1404355082 /nfs/dbraw/zinc/35/50/82/1404355082.db2.gz FRDDCNOHPROFCQ-UHFFFAOYSA-N -1 3 392.427 3.022 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1C(N)=O ZINC000046302988 1404356651 /nfs/dbraw/zinc/35/66/51/1404356651.db2.gz QIQAQYLWBGPVIR-UHFFFAOYSA-N -1 3 387.505 3.131 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2OCc2ccccc2Cl)n1 ZINC000046363419 1404385081 /nfs/dbraw/zinc/38/50/81/1404385081.db2.gz UJRGLPDJYJJVAH-UHFFFAOYSA-N -1 3 384.823 3.475 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)n1 ZINC000046365333 1404385534 /nfs/dbraw/zinc/38/55/34/1404385534.db2.gz SVORFDGXNXQFSI-UHFFFAOYSA-N -1 3 376.416 3.090 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)n1 ZINC000046364426 1404385630 /nfs/dbraw/zinc/38/56/30/1404385630.db2.gz KXZYXFDJWUCYNM-UHFFFAOYSA-N -1 3 375.841 3.327 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccc(SCc3csc(C)n3)cc2)n1 ZINC000046364797 1404385699 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20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(=O)c1ccc[nH]1 ZINC000046452009 1404423141 /nfs/dbraw/zinc/42/31/41/1404423141.db2.gz YLAGLPIFMTVXOA-LJQANCHMSA-N -1 3 392.411 3.008 20 0 GGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCCOC)c2)cc1 ZINC000046454941 1404424399 /nfs/dbraw/zinc/42/43/99/1404424399.db2.gz ILJAYXNQKBSQRA-UHFFFAOYSA-N -1 3 379.478 3.474 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000046650239 1404533032 /nfs/dbraw/zinc/53/30/32/1404533032.db2.gz DSMWQYSBGKVWQJ-CYBMUJFWSA-N -1 3 386.408 3.087 20 0 GGADHM CC[C@@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccccc1OC(F)F ZINC000046684604 1404551145 /nfs/dbraw/zinc/55/11/45/1404551145.db2.gz IBQZTVJIEGPQMK-CYBMUJFWSA-N -1 3 379.363 3.089 20 0 GGADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1OC ZINC000046687397 1404552908 /nfs/dbraw/zinc/55/29/08/1404552908.db2.gz UHFVFPMAKCDBOZ-LJQANCHMSA-N -1 3 397.475 3.020 20 0 GGADHM O=C([N-]NC(=O)c1cc(F)cc(Br)c1)c1ccc2ccccc2n1 ZINC000046811166 1404597975 /nfs/dbraw/zinc/59/79/75/1404597975.db2.gz IWIZBPAXWXTASZ-UHFFFAOYSA-N -1 3 388.196 3.211 20 0 GGADHM NC(=O)c1cc(-c2csc([N-]C(=O)c3cc(-c4ccccc4)no3)n2)c[nH]1 ZINC000046812167 1404599048 /nfs/dbraw/zinc/59/90/48/1404599048.db2.gz WQTFLVXSKNMKCV-UHFFFAOYSA-N -1 3 379.401 3.144 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1SC(F)F ZINC000046853855 1404613274 /nfs/dbraw/zinc/61/32/74/1404613274.db2.gz WHUQCYLVLSBFHU-UHFFFAOYSA-N -1 3 381.404 3.258 20 0 GGADHM CC(C)[C@H](CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000047043012 1404685881 /nfs/dbraw/zinc/68/58/81/1404685881.db2.gz SCUZNEDQEUDBGI-NRFANRHFSA-N -1 3 395.503 3.299 20 0 GGADHM O=C(NCC1(c2ccccc2)CCCCC1)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000046987227 1404662394 /nfs/dbraw/zinc/66/23/94/1404662394.db2.gz LFFWECVXDZBNEI-UHFFFAOYSA-N -1 3 396.447 3.441 20 0 GGADHM O=C(NCc1cc(Br)cs1)N[N-]C(=O)c1ccccc1Cl ZINC000047041426 1404686052 /nfs/dbraw/zinc/68/60/52/1404686052.db2.gz AKPNAQDPWXBLEK-UHFFFAOYSA-N -1 3 388.674 3.308 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)n1 ZINC000047089780 1404702761 /nfs/dbraw/zinc/70/27/61/1404702761.db2.gz BOTZEIOQTQWRET-UHFFFAOYSA-N -1 3 396.451 3.244 20 0 GGADHM O=C(NCc1ccc(COc2ccccc2)cc1)NNC(=O)c1ccccc1[O-] ZINC000047094980 1404705692 /nfs/dbraw/zinc/70/56/92/1404705692.db2.gz YBVUWQQHRPSMDB-UHFFFAOYSA-N -1 3 391.427 3.115 20 0 GGADHM C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000047156564 1404725917 /nfs/dbraw/zinc/72/59/17/1404725917.db2.gz QRFRWTPEKDDAIJ-JTQLQIEISA-N -1 3 391.320 3.449 20 0 GGADHM O[C@H](CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1)c1cccs1 ZINC000826502637 1425727145 /nfs/dbraw/zinc/72/71/45/1425727145.db2.gz HNEAUQPKBWBIEJ-MRXNPFEDSA-N -1 3 381.461 3.257 20 0 GGADHM O=C(Nc1ccccc1F)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268160 1404777430 /nfs/dbraw/zinc/77/74/30/1404777430.db2.gz BGWLQCKGUXVRIO-UHFFFAOYSA-N -1 3 377.372 3.346 20 0 GGADHM O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268341 1404777866 /nfs/dbraw/zinc/77/78/66/1404777866.db2.gz PHYWXUYXXDWXOG-UHFFFAOYSA-N -1 3 395.362 3.485 20 0 GGADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000047281637 1404785171 /nfs/dbraw/zinc/78/51/71/1404785171.db2.gz BHXPNGNCLRVGOF-LJQANCHMSA-N -1 3 384.432 3.484 20 0 GGADHM O=C(Nc1nc2ccccc2[nH]1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047295277 1404792394 /nfs/dbraw/zinc/79/23/94/1404792394.db2.gz KDMRSYOVLQIHNQ-UHFFFAOYSA-N -1 3 399.407 3.083 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000047328139 1404807473 /nfs/dbraw/zinc/80/74/73/1404807473.db2.gz HPOPVUGDJOHBSZ-UHFFFAOYSA-N -1 3 388.880 3.056 20 0 GGADHM COc1ccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c([O-])c1 ZINC000047427306 1404834006 /nfs/dbraw/zinc/83/40/06/1404834006.db2.gz ZHAXKVOBZBHTIM-UHFFFAOYSA-N -1 3 389.521 3.113 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000047436852 1404835847 /nfs/dbraw/zinc/83/58/47/1404835847.db2.gz LTICMCIZUQPRAJ-UHFFFAOYSA-N -1 3 388.371 3.144 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC000047436852 1404835850 /nfs/dbraw/zinc/83/58/50/1404835850.db2.gz LTICMCIZUQPRAJ-UHFFFAOYSA-N -1 3 388.371 3.144 20 0 GGADHM C[C@@H](C1CC1)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000047449549 1404840825 /nfs/dbraw/zinc/84/08/25/1404840825.db2.gz NZYAWQZOWLJKDS-LBPRGKRZSA-N -1 3 382.501 3.306 20 0 GGADHM O=C(NCCNC(=O)c1cccc(Oc2ccccc2)c1)c1ccc([O-])cc1 ZINC000047545183 1404864357 /nfs/dbraw/zinc/86/43/57/1404864357.db2.gz DLZKFUFUDAUKEJ-UHFFFAOYSA-N -1 3 376.412 3.344 20 0 GGADHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCc2ccccc2)c(Cl)c1 ZINC000047543910 1404864443 /nfs/dbraw/zinc/86/44/43/1404864443.db2.gz HXVTUOBCCHPXBF-UHFFFAOYSA-N -1 3 384.841 3.133 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(O)c1 ZINC000047682738 1404892679 /nfs/dbraw/zinc/89/26/79/1404892679.db2.gz YHHLNANANAOBJI-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn(-c4ccccc4)nn3)nc(=O)c2c1C ZINC000047767470 1404934733 /nfs/dbraw/zinc/93/47/33/1404934733.db2.gz LJPFBNIYIHBJCD-NSHDSACASA-N -1 3 395.444 3.100 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc4n(c(=O)c3c2)CCC4)c(C)c1 ZINC000047906450 1404991152 /nfs/dbraw/zinc/99/11/52/1404991152.db2.gz QPDSVZVMWRYMSH-UHFFFAOYSA-N -1 3 383.473 3.069 20 0 GGADHM O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048030695 1405029298 /nfs/dbraw/zinc/02/92/98/1405029298.db2.gz LUMDCEKVIWAMET-OAHLLOKOSA-N -1 3 385.489 3.361 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000048170238 1405084116 /nfs/dbraw/zinc/08/41/16/1405084116.db2.gz YKWXAZBHOUBBAQ-UHFFFAOYSA-N -1 3 394.221 3.164 20 0 GGADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2F)C[C@H](C)O1 ZINC000048230189 1405106614 /nfs/dbraw/zinc/10/66/14/1405106614.db2.gz ZNVHNSCRBXCXOI-BETUJISGSA-N -1 3 382.432 3.379 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000048244523 1405111574 /nfs/dbraw/zinc/11/15/74/1405111574.db2.gz BCVPDSZCUUHRJG-UHFFFAOYSA-N -1 3 384.404 3.132 20 0 GGADHM CCOc1ccccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048246131 1405112753 /nfs/dbraw/zinc/11/27/53/1405112753.db2.gz FCMSFKMFQWRVLM-UHFFFAOYSA-N -1 3 392.477 3.253 20 0 GGADHM O=C(CCCOCCc1ccccc1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000048314205 1405141823 /nfs/dbraw/zinc/14/18/23/1405141823.db2.gz MVIRNXNYMGEFNA-UHFFFAOYSA-N -1 3 377.444 3.035 20 0 GGADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N2CCCC2)cc1 ZINC000048439832 1405190976 /nfs/dbraw/zinc/19/09/76/1405190976.db2.gz ZVYFKGXKFLRGNZ-GOSISDBHSA-N -1 3 396.459 3.089 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c([O-])c1 ZINC000048474521 1405199350 /nfs/dbraw/zinc/19/93/50/1405199350.db2.gz MMNZNBVCWCBNGA-UHFFFAOYSA-N -1 3 378.476 3.121 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)c2)n1 ZINC000049303118 1405362814 /nfs/dbraw/zinc/36/28/14/1405362814.db2.gz PDVCZMNOLSBRKJ-RBZFPXEDSA-N -1 3 391.427 3.166 20 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/nfs/dbraw/zinc/59/68/71/1405596871.db2.gz NADUPWNGJNDCTI-UHFFFAOYSA-N -1 3 388.489 3.317 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050534276 1405597215 /nfs/dbraw/zinc/59/72/15/1405597215.db2.gz DGYNJOMAXZQBSE-UHFFFAOYSA-N -1 3 388.489 3.399 20 0 GGADHM COc1cc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1[O-] ZINC000050665762 1405621556 /nfs/dbraw/zinc/62/15/56/1405621556.db2.gz LMMSQHWXHJBLHJ-DJWKRKHSSA-N -1 3 389.205 3.229 20 0 GGADHM CCCOc1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000175363269 1427707494 /nfs/dbraw/zinc/70/74/94/1427707494.db2.gz SXVKYKDYNKNDAW-UHFFFAOYSA-N -1 3 396.487 3.098 20 0 GGADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000051237781 1405751898 /nfs/dbraw/zinc/75/18/98/1405751898.db2.gz YZQVXSQFTFNNEM-HNAYVOBHSA-N -1 3 393.443 3.202 20 0 GGADHM O=C(Nc1cccc2c[nH]nc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000051261561 1405757557 /nfs/dbraw/zinc/75/75/57/1405757557.db2.gz JJTUTCGLDFXRTJ-UHFFFAOYSA-N -1 3 399.407 3.083 20 0 GGADHM O=C(NCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1)c1cccs1 ZINC000051266121 1405760710 /nfs/dbraw/zinc/76/07/10/1405760710.db2.gz FJZUSBSURJCBLA-UHFFFAOYSA-N -1 3 395.366 3.067 20 0 GGADHM O=C(NCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1)c1cccs1 ZINC000051266121 1405760716 /nfs/dbraw/zinc/76/07/16/1405760716.db2.gz FJZUSBSURJCBLA-UHFFFAOYSA-N -1 3 395.366 3.067 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000051265451 1405760844 /nfs/dbraw/zinc/76/08/44/1405760844.db2.gz CGSVJMBKKCUHRF-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000051265451 1405760845 /nfs/dbraw/zinc/76/08/45/1405760845.db2.gz CGSVJMBKKCUHRF-UHFFFAOYSA-N -1 3 399.336 3.324 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c(=O)[n-]1 ZINC000051380044 1405800766 /nfs/dbraw/zinc/80/07/66/1405800766.db2.gz TUOATHRLRYIRLO-UHFFFAOYSA-N -1 3 392.843 3.484 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(OC(F)F)c1 ZINC000051486820 1405818974 /nfs/dbraw/zinc/81/89/74/1405818974.db2.gz ONQYOYJWVOBOKK-UHFFFAOYSA-N -1 3 376.359 3.141 20 0 GGADHM COC(=O)c1cccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000051543037 1405829289 /nfs/dbraw/zinc/82/92/89/1405829289.db2.gz ODHHECSPUFZBQV-JTQLQIEISA-N -1 3 386.429 3.306 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)COc3cccc(C#N)c3)nc(=O)c2c1C ZINC000051805664 1405868682 /nfs/dbraw/zinc/86/86/82/1405868682.db2.gz IMTJNOOBLVARNL-LLVKDONJSA-N -1 3 383.429 3.156 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1 ZINC000052025154 1405904246 /nfs/dbraw/zinc/90/42/46/1405904246.db2.gz HHGJQLFRUYVFSW-UHFFFAOYSA-N -1 3 397.518 3.209 20 0 GGADHM c1ccc(-c2ccccc2CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000826519100 1428062995 /nfs/dbraw/zinc/06/29/95/1428062995.db2.gz KEFGKVKBTJBKQG-UHFFFAOYSA-N -1 3 397.486 3.251 20 0 GGADHM c1ccc(-c2ccccc2CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC000826519100 1428063001 /nfs/dbraw/zinc/06/30/01/1428063001.db2.gz KEFGKVKBTJBKQG-UHFFFAOYSA-N -1 3 397.486 3.251 20 0 GGADHM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000052327820 1406020968 /nfs/dbraw/zinc/02/09/68/1406020968.db2.gz RBIKFAWKZIMMMU-UHFFFAOYSA-N -1 3 382.460 3.122 20 0 GGADHM C[C@@H](N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000052448628 1406053462 /nfs/dbraw/zinc/05/34/62/1406053462.db2.gz LPPGMZNLZNWXAX-GFCCVEGCSA-N -1 3 381.473 3.461 20 0 GGADHM CCc1cc2c(CN(C)CC(=O)N(C)C3CCCCC3)cc(=O)oc2cc1[O-] ZINC000052675227 1406114676 /nfs/dbraw/zinc/11/46/76/1406114676.db2.gz QWZQDFHXYPFLHF-UHFFFAOYSA-N -1 3 386.492 3.284 20 0 GGADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)n1 ZINC000052779223 1406166302 /nfs/dbraw/zinc/16/63/02/1406166302.db2.gz NHIYFRPMGZKDMM-GFCCVEGCSA-N -1 3 386.839 3.270 20 0 GGADHM COc1ccccc1-c1n[n-]c(NC(=O)COc2cc(C)ccc2C(C)C)n1 ZINC000052778703 1406166722 /nfs/dbraw/zinc/16/67/22/1406166722.db2.gz FAVYHXVHAFWRPP-UHFFFAOYSA-N -1 3 380.448 3.352 20 0 GGADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)n1 ZINC000052779226 1406167238 /nfs/dbraw/zinc/16/72/38/1406167238.db2.gz PVGXPAHUKUFLRG-LBPRGKRZSA-N -1 3 386.839 3.270 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3OC)n[n-]2)cc1 ZINC000052779244 1406168142 /nfs/dbraw/zinc/16/81/42/1406168142.db2.gz HCOHJPUBQDGIRU-GFCCVEGCSA-N -1 3 384.461 3.030 20 0 GGADHM COc1ccc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3OC)n[n-]2)cc1 ZINC000052779243 1406168272 /nfs/dbraw/zinc/16/82/72/1406168272.db2.gz HCOHJPUBQDGIRU-LBPRGKRZSA-N -1 3 384.461 3.030 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1Cl)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056804272 1407438633 /nfs/dbraw/zinc/43/86/33/1407438633.db2.gz DLLAKJPJBGDQMC-AWEZNQCLSA-N -1 3 380.231 3.461 20 0 GGADHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000176313419 1428238767 /nfs/dbraw/zinc/23/87/67/1428238767.db2.gz RUJHVPKVFFVHCP-MOPGFXCFSA-N -1 3 382.508 3.400 20 0 GGADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000056835768 1407448674 /nfs/dbraw/zinc/44/86/74/1407448674.db2.gz RRHJIAKIPNIECY-LLVKDONJSA-N -1 3 399.344 3.256 20 0 GGADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H](C)COc2ccccc2C(F)(F)F)n1 ZINC000056835701 1407448735 /nfs/dbraw/zinc/44/87/35/1407448735.db2.gz PIVDKUPCCNBQKU-GFCCVEGCSA-N -1 3 383.374 3.206 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cccnc2SCc2ccc(F)cc2)n1 ZINC000056887256 1407465432 /nfs/dbraw/zinc/46/54/32/1407465432.db2.gz GUKDCLIOVHBTMC-UHFFFAOYSA-N -1 3 385.424 3.069 20 0 GGADHM O=C(NCCOc1cccc(Cl)c1Cl)N[N-]C(=O)c1ccccc1F ZINC000056907892 1407472742 /nfs/dbraw/zinc/47/27/42/1407472742.db2.gz PPMXRNIDIBMFHJ-UHFFFAOYSA-N -1 3 386.210 3.156 20 0 GGADHM C[C@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000056932419 1407477245 /nfs/dbraw/zinc/47/72/45/1407477245.db2.gz LGQBLVWCZHMCOE-GFCCVEGCSA-N -1 3 391.468 3.358 20 0 GGADHM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000057012640 1407499798 /nfs/dbraw/zinc/49/97/98/1407499798.db2.gz OHNHPXRSRYZGJW-FQEVSTJZSA-N -1 3 385.485 3.068 20 0 GGADHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000057026267 1407504025 /nfs/dbraw/zinc/50/40/25/1407504025.db2.gz MZLBPFWLEIOQLV-UHFFFAOYSA-N -1 3 379.393 3.022 20 0 GGADHM O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2cc1[O-] ZINC000057028309 1407504582 /nfs/dbraw/zinc/50/45/82/1407504582.db2.gz BNHQYUVOFCRNCI-UHFFFAOYSA-N -1 3 385.763 3.182 20 0 GGADHM CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000057035219 1407505172 /nfs/dbraw/zinc/50/51/72/1407505172.db2.gz KKFZRZGLJWKRHO-CYBMUJFWSA-N -1 3 379.457 3.217 20 0 GGADHM COC(=O)c1ccsc1N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1=O ZINC000176321919 1428244057 /nfs/dbraw/zinc/24/40/57/1428244057.db2.gz PBCKBNKNYXEBTC-VDLQQMNMSA-N -1 3 378.837 3.118 20 0 GGADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000057122515 1407526547 /nfs/dbraw/zinc/52/65/47/1407526547.db2.gz IOFJYYAZKZDLBB-UHFFFAOYSA-N -1 3 376.434 3.015 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OC)cc2)cc1 ZINC000057125405 1407528991 /nfs/dbraw/zinc/52/89/91/1407528991.db2.gz SDDVGIYEFZAJTE-UHFFFAOYSA-N -1 3 378.450 3.479 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000176325590 1428245361 /nfs/dbraw/zinc/24/53/61/1428245361.db2.gz YWSACJADDIHCBZ-SANMLTNESA-N -1 3 395.912 3.160 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057154599 1407538125 /nfs/dbraw/zinc/53/81/25/1407538125.db2.gz ACLYFFKYVXLKDT-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057154599 1407538130 /nfs/dbraw/zinc/53/81/30/1407538130.db2.gz ACLYFFKYVXLKDT-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1Cl)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000057197496 1407553648 /nfs/dbraw/zinc/55/36/48/1407553648.db2.gz BVYYRPVVQIBEAJ-SJORKVTESA-N -1 3 391.830 3.343 20 0 GGADHM COc1ccc(CCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000057200306 1407553666 /nfs/dbraw/zinc/55/36/66/1407553666.db2.gz NDIFUMBPRIAICM-UHFFFAOYSA-N -1 3 376.478 3.418 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(=O)[n-]1 ZINC000057272890 1407575937 /nfs/dbraw/zinc/57/59/37/1407575937.db2.gz TZNZLVWRTZPHOJ-UHFFFAOYSA-N -1 3 384.823 3.409 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)[C@@H]1C ZINC000057467971 1407628530 /nfs/dbraw/zinc/62/85/30/1407628530.db2.gz WXAHPNLJYNLVGU-RULNRJAQSA-N -1 3 386.265 3.357 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3nc(C)c(Cl)c3C)c2)n1 ZINC000057496150 1407636787 /nfs/dbraw/zinc/63/67/87/1407636787.db2.gz RPZYSDCQUJUICD-UHFFFAOYSA-N -1 3 385.855 3.105 20 0 GGADHM CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000057496709 1407636939 /nfs/dbraw/zinc/63/69/39/1407636939.db2.gz STXFQMDIZZYZSU-SFHVURJKSA-N -1 3 396.491 3.119 20 0 GGADHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057586366 1407659589 /nfs/dbraw/zinc/65/95/89/1407659589.db2.gz IDIUTHKGKOUSRQ-SKDRFNHKSA-N -1 3 388.493 3.360 20 0 GGADHM COc1ccc(C(C)(C)CNC(=O)N[N-]C(=O)c2ccccc2Cl)cc1 ZINC000057635955 1407672839 /nfs/dbraw/zinc/67/28/39/1407672839.db2.gz YNAQRSRINDZAOD-UHFFFAOYSA-N -1 3 375.856 3.270 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccn3)c2)cc1 ZINC000057681312 1407684023 /nfs/dbraw/zinc/68/40/23/1407684023.db2.gz ASRYMYYZFHIKJJ-UHFFFAOYSA-N -1 3 397.456 3.452 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000057772457 1407714088 /nfs/dbraw/zinc/71/40/88/1407714088.db2.gz SZGOQJKRLILEFS-UHFFFAOYSA-N -1 3 375.472 3.268 20 0 GGADHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc3c2CC[C@@H](C)C3)C1=O ZINC000057812769 1407724175 /nfs/dbraw/zinc/72/41/75/1407724175.db2.gz FFOYINBVOOZJOA-LRTDBIEQSA-N -1 3 397.500 3.375 20 0 GGADHM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000058567425 1407845759 /nfs/dbraw/zinc/84/57/59/1407845759.db2.gz XMVGDWPZIVEKPV-UHFFFAOYSA-N -1 3 375.428 3.453 20 0 GGADHM CC(C)(C)OC(=O)N(CCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000058914528 1407898492 /nfs/dbraw/zinc/89/84/92/1407898492.db2.gz ARVPXEWIDJNEQB-UHFFFAOYSA-N -1 3 394.946 3.469 20 0 GGADHM Cc1csc([C@](O)(CC(=O)Nc2n[n-]c(-c3ccco3)n2)C(F)(F)F)n1 ZINC000058988555 1407908683 /nfs/dbraw/zinc/90/86/83/1407908683.db2.gz MEPBODOQCUVSDF-CYBMUJFWSA-N -1 3 387.343 3.258 20 0 GGADHM COCCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000059012282 1407913011 /nfs/dbraw/zinc/91/30/11/1407913011.db2.gz KHTJBPUNULIMDD-UHFFFAOYSA-N -1 3 394.468 3.173 20 0 GGADHM CC(C)(C)c1ccc(OCCCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000059024385 1407913830 /nfs/dbraw/zinc/91/38/30/1407913830.db2.gz GVNXHKIWAXLYQY-UHFFFAOYSA-N -1 3 398.503 3.395 20 0 GGADHM COc1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)c([O-])c1 ZINC000059782417 1407925720 /nfs/dbraw/zinc/92/57/20/1407925720.db2.gz ULJVFOMWCPJWBG-LJQANCHMSA-N -1 3 384.476 3.366 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c(C)o1 ZINC000060319158 1407952399 /nfs/dbraw/zinc/95/23/99/1407952399.db2.gz AMEWGLNKGASCRV-CQSZACIVSA-N -1 3 380.448 3.160 20 0 GGADHM CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000060358604 1407960045 /nfs/dbraw/zinc/96/00/45/1407960045.db2.gz UARFZVJAJNPMFB-UHFFFAOYSA-N -1 3 380.488 3.314 20 0 GGADHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000060381057 1407965961 /nfs/dbraw/zinc/96/59/61/1407965961.db2.gz ZKOQGRLEUPXLHD-UHFFFAOYSA-N -1 3 389.456 3.109 20 0 GGADHM O=c1[n-]nc(SCc2csc(Nc3ccccc3)n2)n1C[C@H]1CCCO1 ZINC000060384753 1407967568 /nfs/dbraw/zinc/96/75/68/1407967568.db2.gz QXGQHXTZRHJNIJ-CQSZACIVSA-N -1 3 389.506 3.243 20 0 GGADHM O=C(NCCNC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1 ZINC000060433188 1407976196 /nfs/dbraw/zinc/97/61/96/1407976196.db2.gz ISTUPBUALJGIMM-UHFFFAOYSA-N -1 3 384.288 3.415 20 0 GGADHM O=C(NCc1sccc1Br)N[N-]C(=O)c1ccccc1Cl ZINC000060591049 1408008472 /nfs/dbraw/zinc/00/84/72/1408008472.db2.gz KLJZYVBIBMZXJH-UHFFFAOYSA-N -1 3 388.674 3.308 20 0 GGADHM Cc1ccc(NC(=O)C[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000060614665 1408012176 /nfs/dbraw/zinc/01/21/76/1408012176.db2.gz DWSCFFWDJZBOFB-HNNXBMFYSA-N -1 3 392.452 3.443 20 0 GGADHM Cc1oc(-c2cccs2)nc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000060626290 1408014178 /nfs/dbraw/zinc/01/41/78/1408014178.db2.gz BSDOLCFTZILGEL-UHFFFAOYSA-N -1 3 397.456 3.015 20 0 GGADHM Cc1cc(C)c(CCNC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c(C)c1 ZINC000061142815 1408082317 /nfs/dbraw/zinc/08/23/17/1408082317.db2.gz NJBUMYXJJNCYNR-UHFFFAOYSA-N -1 3 381.432 3.111 20 0 GGADHM Cc1cc(C)c(CCNC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c(C)c1 ZINC000061142815 1408082330 /nfs/dbraw/zinc/08/23/30/1408082330.db2.gz NJBUMYXJJNCYNR-UHFFFAOYSA-N -1 3 381.432 3.111 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000061142672 1408082796 /nfs/dbraw/zinc/08/27/96/1408082796.db2.gz LIFHNMGTIJDWFT-UHFFFAOYSA-N -1 3 397.431 3.145 20 0 GGADHM CC(C)c1ccc(OCCNC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000061142672 1408082803 /nfs/dbraw/zinc/08/28/03/1408082803.db2.gz LIFHNMGTIJDWFT-UHFFFAOYSA-N -1 3 397.431 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GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000063442976 1408355315 /nfs/dbraw/zinc/35/53/15/1408355315.db2.gz QOOXEVNOEQXMTF-UHFFFAOYSA-N -1 3 393.461 3.410 20 0 GGADHM CCOc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c([N+](=O)[O-])cc1OC ZINC000063446887 1408355753 /nfs/dbraw/zinc/35/57/53/1408355753.db2.gz OWIFAVRGJNKMRI-UHFFFAOYSA-N -1 3 379.300 3.302 20 0 GGADHM O=C(NCc1cccc2ccccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000063797475 1408414156 /nfs/dbraw/zinc/41/41/56/1408414156.db2.gz BMVQKBXCUZJXNN-UHFFFAOYSA-N -1 3 389.455 3.213 20 0 GGADHM O=C(COc1ccc2ccc(=O)oc2c1)Nc1cc(Br)ccc1[O-] ZINC000176431282 1428317546 /nfs/dbraw/zinc/31/75/46/1428317546.db2.gz IHNBTUAIZMUOAM-UHFFFAOYSA-N -1 3 390.189 3.279 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(NC4CC4)nc3)nc(=O)c2c1C ZINC000063989544 1408461939 /nfs/dbraw/zinc/46/19/39/1408461939.db2.gz LLHLNCYDQJXUEY-SNVBAGLBSA-N -1 3 384.461 3.489 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2c(C)oc3ccc(OC)cc32)o1 ZINC000064049254 1408474521 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393.834 3.011 20 0 GGADHM CC(C)OCc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000064534044 1408575562 /nfs/dbraw/zinc/57/55/62/1408575562.db2.gz OJVDGBRUFIVRTR-UHFFFAOYSA-N -1 3 397.475 3.307 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1 ZINC000064751988 1408608015 /nfs/dbraw/zinc/60/80/15/1408608015.db2.gz ZBNGQNYJKHFIBB-UHFFFAOYSA-N -1 3 383.448 3.265 20 0 GGADHM Cc1ccccc1NCCC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000064835654 1408618988 /nfs/dbraw/zinc/61/89/88/1408618988.db2.gz WBQXBOAXRKSHOK-UHFFFAOYSA-N -1 3 394.244 3.160 20 0 GGADHM CCCCNC(=O)N[N-]C(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 ZINC000064883433 1408625940 /nfs/dbraw/zinc/62/59/40/1408625940.db2.gz MJHPMAPONGGNPM-UHFFFAOYSA-N -1 3 389.887 3.456 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)c(C)c1 ZINC000064938106 1408629432 /nfs/dbraw/zinc/62/94/32/1408629432.db2.gz CTOJIXAGCIZHTK-CQSZACIVSA-N -1 3 392.477 3.086 20 0 GGADHM Cc1c2cccc(C)c2oc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000065054716 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3 395.438 3.131 20 0 GGADHM CC(=O)Nc1nc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)cs1 ZINC000065514657 1408682036 /nfs/dbraw/zinc/68/20/36/1408682036.db2.gz QHDWOQOLIIXBOO-UHFFFAOYSA-N -1 3 378.417 3.292 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCOc2ccccc2C)cc1OC ZINC000065658747 1408707044 /nfs/dbraw/zinc/70/70/44/1408707044.db2.gz YPPALNSLDBPOFZ-UHFFFAOYSA-N -1 3 392.477 3.173 20 0 GGADHM CCCCC1CCC(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065675771 1408709433 /nfs/dbraw/zinc/70/94/33/1408709433.db2.gz NFOGOLCXVVKGEK-OOHWJJMZSA-N -1 3 399.557 3.071 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccc(F)cc3)CCCCC2)c(=O)[n-]1 ZINC000065688326 1408712201 /nfs/dbraw/zinc/71/22/01/1408712201.db2.gz MPMXQLQRKOTXLA-UHFFFAOYSA-N -1 3 385.483 3.477 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000065736676 1408721597 /nfs/dbraw/zinc/72/15/97/1408721597.db2.gz MWSXQVPIXHDCDT-HXUWFJFHSA-N -1 3 388.471 3.267 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C2CCC(C)CC2)cc1OC 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COc1ccccc1C1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCCC1 ZINC000065819855 1408735450 /nfs/dbraw/zinc/73/54/50/1408735450.db2.gz QTGFQFGGXOEWEM-UHFFFAOYSA-N -1 3 393.443 3.212 20 0 GGADHM N#Cc1ccc(OCC(=O)N[N-]C(=O)c2sccc2-c2ccc(F)cc2)cc1 ZINC000065834833 1408738474 /nfs/dbraw/zinc/73/84/74/1408738474.db2.gz VEMXRZCESJKHRW-UHFFFAOYSA-N -1 3 395.415 3.266 20 0 GGADHM Cc1cc(C)cc(N(C)C(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000065861922 1408743890 /nfs/dbraw/zinc/74/38/90/1408743890.db2.gz PGRUXSOCAISJCC-UHFFFAOYSA-N -1 3 390.505 3.495 20 0 GGADHM CC(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000065913237 1408753125 /nfs/dbraw/zinc/75/31/25/1408753125.db2.gz ZSIKRWDLMWCDSF-UHFFFAOYSA-N -1 3 379.309 3.162 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2ccc(F)c(F)c2)ccc1F ZINC000066292591 1408805823 /nfs/dbraw/zinc/80/58/23/1408805823.db2.gz QFURQKPQMHJAFE-UHFFFAOYSA-N -1 3 398.406 3.235 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CCCC[C@H]1C ZINC000066415514 1408833780 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ZINC000067950655 1409262746 /nfs/dbraw/zinc/26/27/46/1409262746.db2.gz HVKNRQSEKFZWME-UHFFFAOYSA-N -1 3 377.274 3.436 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c(=O)[n-]1 ZINC000068011222 1409276119 /nfs/dbraw/zinc/27/61/19/1409276119.db2.gz UCIIFRIZWSZDON-UHFFFAOYSA-N -1 3 389.868 3.130 20 0 GGADHM CC(C)(C)c1nsc([N-]C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)n1 ZINC000068072534 1409290595 /nfs/dbraw/zinc/29/05/95/1409290595.db2.gz RSFOEDQJGZCFSP-UHFFFAOYSA-N -1 3 393.412 3.381 20 0 GGADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2c(c1)COC2 ZINC000068075905 1409292036 /nfs/dbraw/zinc/29/20/36/1409292036.db2.gz ZJQFFUINKKAEFB-SFHVURJKSA-N -1 3 375.446 3.075 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1 ZINC000068226763 1409334613 /nfs/dbraw/zinc/33/46/13/1409334613.db2.gz LUJZDLOJIGTVQU-UHFFFAOYSA-N -1 3 398.440 3.387 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c(=O)[n-]1 ZINC000068277357 1409350168 /nfs/dbraw/zinc/35/01/68/1409350168.db2.gz IXXDBAFVCSRTAY-UHFFFAOYSA-N -1 3 398.850 3.195 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)c2ccccn2)cc1OC ZINC000068369564 1409382053 /nfs/dbraw/zinc/38/20/53/1409382053.db2.gz QSLOMABPJAQSTJ-ZDUSSCGKSA-N -1 3 392.481 3.077 20 0 GGADHM Cc1cc2c[nH]nc2c(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)c1 ZINC000068423872 1409398290 /nfs/dbraw/zinc/39/82/90/1409398290.db2.gz HEIPIRNLWQWLGF-UHFFFAOYSA-N -1 3 382.493 3.480 20 0 GGADHM CCN(C)[C@H](C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1)c1ccccc1 ZINC000068453060 1409407569 /nfs/dbraw/zinc/40/75/69/1409407569.db2.gz OQWJUEQNRFDBRK-KRWDZBQOSA-N -1 3 387.553 3.360 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3C[C@H](C)OC(C)(C)C3)nc(=O)c2c1C ZINC000068477741 1409412282 /nfs/dbraw/zinc/41/22/82/1409412282.db2.gz QGGXRDGFBQTNQH-CMPLNLGQSA-N -1 3 393.509 3.030 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000068564154 1409440185 /nfs/dbraw/zinc/44/01/85/1409440185.db2.gz BKWFMFFKMUZAIY-VQIMIIECSA-N -1 3 380.492 3.254 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc(COC)c2)cc1OC ZINC000068603158 1409449095 /nfs/dbraw/zinc/44/90/95/1409449095.db2.gz YJVCAWYJGOZZDW-UHFFFAOYSA-N -1 3 393.465 3.247 20 0 GGADHM CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1OC(F)F ZINC000068606989 1409449728 /nfs/dbraw/zinc/44/97/28/1409449728.db2.gz ILBWRQFRYRURBG-CQSZACIVSA-N -1 3 389.358 3.444 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4ccccc4Cl)CC3)nc2)n1 ZINC000068621768 1409450869 /nfs/dbraw/zinc/45/08/69/1409450869.db2.gz CQXQTKJAMRSMJA-UHFFFAOYSA-N -1 3 395.894 3.374 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1OC ZINC000068630944 1409451684 /nfs/dbraw/zinc/45/16/84/1409451684.db2.gz RCFNXDLVZLTFMZ-AWEZNQCLSA-N -1 3 393.465 3.249 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(N2CCCC2=O)c1 ZINC000068661459 1409460756 /nfs/dbraw/zinc/46/07/56/1409460756.db2.gz BNQIXEZBJOLJEA-AWEZNQCLSA-N -1 3 375.428 3.146 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N4CCCC4)nc3)nc2)n1 ZINC000068663029 1409462169 /nfs/dbraw/zinc/46/21/69/1409462169.db2.gz XTLBHCHGGFYYKM-UHFFFAOYSA-N -1 3 376.464 3.002 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(N4CCCC4=O)c3)nc2)n1 ZINC000068665819 1409463258 /nfs/dbraw/zinc/46/32/58/1409463258.db2.gz DFBMXAFAEFKRPB-UHFFFAOYSA-N -1 3 389.459 3.133 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC)c(OC)c3OC)nc2)n1 ZINC000068668184 1409463738 /nfs/dbraw/zinc/46/37/38/1409463738.db2.gz HUYHDNKQPHZDPT-UHFFFAOYSA-N -1 3 396.447 3.032 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc4c(c3)CCC4)nc2)n1 ZINC000068669412 1409464370 /nfs/dbraw/zinc/46/43/70/1409464370.db2.gz BLDMPXLOXQKBHS-UHFFFAOYSA-N -1 3 376.460 3.374 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)nc2)n1 ZINC000068692897 1409470697 /nfs/dbraw/zinc/47/06/97/1409470697.db2.gz QAKYJWVJNIACGD-UHFFFAOYSA-N -1 3 395.894 3.374 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4cccc(F)c4)C3)nc2)n1 ZINC000068699367 1409471408 /nfs/dbraw/zinc/47/14/08/1409471408.db2.gz GJINOAXNQAJCMD-SFHVURJKSA-N -1 3 380.423 3.111 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccccc4F)C3)nc2)n1 ZINC000068699339 1409471542 /nfs/dbraw/zinc/47/15/42/1409471542.db2.gz XMHVUQLUUSUGDV-GOSISDBHSA-N -1 3 380.423 3.111 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(-c2ccncc2)no1 ZINC000068909586 1409522172 /nfs/dbraw/zinc/52/21/72/1409522172.db2.gz CUZIOMMHSXSKPZ-INIZCTEOSA-N -1 3 390.440 3.087 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000068953360 1409531545 /nfs/dbraw/zinc/53/15/45/1409531545.db2.gz CFXCQSZQPPSNJQ-AWEZNQCLSA-N -1 3 385.464 3.048 20 0 GGADHM c1ccc2c(c1)nc(-c1ccncc1)nc2NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068974214 1409536002 /nfs/dbraw/zinc/53/60/02/1409536002.db2.gz IUFGKFIHYOYHMI-UHFFFAOYSA-N -1 3 380.415 3.484 20 0 GGADHM c1ccc2c(c1)nc(-c1ccncc1)nc2NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068974214 1409536008 /nfs/dbraw/zinc/53/60/08/1409536008.db2.gz IUFGKFIHYOYHMI-UHFFFAOYSA-N -1 3 380.415 3.484 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)N2CCCC2)c1 ZINC000069098799 1409564602 /nfs/dbraw/zinc/56/46/02/1409564602.db2.gz HMZCIGJKGZXDMW-SFHVURJKSA-N -1 3 396.459 3.089 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000069298241 1409609255 /nfs/dbraw/zinc/60/92/55/1409609255.db2.gz BIXNQGJKTRZICO-CHWSQXEVSA-N -1 3 389.418 3.251 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000069298238 1409609337 /nfs/dbraw/zinc/60/93/37/1409609337.db2.gz BIXNQGJKTRZICO-OLZOCXBDSA-N -1 3 389.418 3.251 20 0 GGADHM O=S(=O)(Cc1nc(-c2ccsc2)no1)c1nnc(CCC2CCCC2)[n-]1 ZINC000069300413 1409609703 /nfs/dbraw/zinc/60/97/03/1409609703.db2.gz QMIGCHNTQLWEKO-UHFFFAOYSA-N -1 3 393.494 3.013 20 0 GGADHM O=S(=O)(Cc1nc(-c2ccsc2)no1)c1nc(CCC2CCCC2)n[n-]1 ZINC000069300413 1409609710 /nfs/dbraw/zinc/60/97/10/1409609710.db2.gz QMIGCHNTQLWEKO-UHFFFAOYSA-N -1 3 393.494 3.013 20 0 GGADHM CC(C)N(C)c1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000069347018 1409619839 /nfs/dbraw/zinc/61/98/39/1409619839.db2.gz 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CCCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1OC ZINC000091924397 1410092954 /nfs/dbraw/zinc/09/29/54/1410092954.db2.gz ROHSQCYPYNOJDR-UHFFFAOYSA-N -1 3 384.476 3.148 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000092092264 1410107275 /nfs/dbraw/zinc/10/72/75/1410107275.db2.gz MPALZPODYXHBOQ-RHSMWYFYSA-N -1 3 393.409 3.401 20 0 GGADHM Cc1cc2cccnc2c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000092146720 1410112368 /nfs/dbraw/zinc/11/23/68/1410112368.db2.gz CZJAWDKGMXLFMU-UHFFFAOYSA-N -1 3 390.443 3.239 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)nc3C(C)(C)C)c2)n1 ZINC000092453377 1410158187 /nfs/dbraw/zinc/15/81/87/1410158187.db2.gz GOMPDDNANJGDSG-UHFFFAOYSA-N -1 3 379.464 3.283 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c(Cl)n1 ZINC000093908736 1410282891 /nfs/dbraw/zinc/28/28/91/1410282891.db2.gz JIXNTWNPLWSYDB-UHFFFAOYSA-N -1 3 392.220 3.414 20 0 GGADHM CCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000093920045 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20 0 GGADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094137223 1410307564 /nfs/dbraw/zinc/30/75/64/1410307564.db2.gz YJELWQYIKLIBHP-MRXNPFEDSA-N -1 3 389.517 3.073 20 0 GGADHM C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000094138900 1410308014 /nfs/dbraw/zinc/30/80/14/1410308014.db2.gz KZIKZQXIAGQVRA-OAHLLOKOSA-N -1 3 387.501 3.021 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000097272310 1410363027 /nfs/dbraw/zinc/36/30/27/1410363027.db2.gz GJZZODXESBLCND-UHFFFAOYSA-N -1 3 387.867 3.275 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000098033870 1410399043 /nfs/dbraw/zinc/39/90/43/1410399043.db2.gz DBGVNZCVBXXMCV-GOSISDBHSA-N -1 3 399.878 3.201 20 0 GGADHM CCC(=O)N1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000101649628 1410485673 /nfs/dbraw/zinc/48/56/73/1410485673.db2.gz GDIDUUAYYUNYFJ-UHFFFAOYSA-N -1 3 380.488 3.262 20 0 GGADHM CC(=O)N(C)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000101658120 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3.376 20 0 GGADHM Cc1oc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)cc1S(=O)(=O)N(C)C ZINC000176845273 1428498415 /nfs/dbraw/zinc/49/84/15/1428498415.db2.gz NEGRNVFUVAXAOF-UHFFFAOYSA-N -1 3 398.506 3.381 20 0 GGADHM Cc1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000176858385 1428503401 /nfs/dbraw/zinc/50/34/01/1428503401.db2.gz UGZDTFYJVGHPSE-CQSZACIVSA-N -1 3 383.366 3.231 20 0 GGADHM CC[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cccc(Br)c1 ZINC000102710770 1410706751 /nfs/dbraw/zinc/70/67/51/1410706751.db2.gz WPIXPZADISRRJZ-HNNXBMFYSA-N -1 3 379.254 3.386 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)c(=O)[n-]1 ZINC000102727046 1410713862 /nfs/dbraw/zinc/71/38/62/1410713862.db2.gz COSZOYFWVCKUSC-UHFFFAOYSA-N -1 3 381.436 3.131 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)s1 ZINC000102735766 1410718311 /nfs/dbraw/zinc/71/83/11/1410718311.db2.gz LFPFKSYXTBEEBT-UHFFFAOYSA-N -1 3 384.498 3.155 20 0 GGADHM CCOCCCn1c2ccccc2[nH]c1=NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000102747451 1410722303 /nfs/dbraw/zinc/72/23/03/1410722303.db2.gz GBXNWBVTIZWWRC-SAPNQHFASA-N -1 3 390.443 3.186 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)c1ccccc1 ZINC000102808113 1410771741 /nfs/dbraw/zinc/77/17/41/1410771741.db2.gz KKZNZALGLGPOJD-KRWDZBQOSA-N -1 3 395.503 3.226 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1F ZINC000102878047 1410803206 /nfs/dbraw/zinc/80/32/06/1410803206.db2.gz KXXZTAWYFHEACR-INIZCTEOSA-N -1 3 382.501 3.307 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c(=O)[n-]1 ZINC000103112624 1410828659 /nfs/dbraw/zinc/82/86/59/1410828659.db2.gz PTIXDOJZKDJXBQ-UHFFFAOYSA-N -1 3 399.397 3.425 20 0 GGADHM COCCSc1ccc([C@@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000103425449 1410855932 /nfs/dbraw/zinc/85/59/32/1410855932.db2.gz CDGPCHKAQCIVDJ-NFECSFHCSA-N -1 3 382.485 3.387 20 0 GGADHM COc1cccc(CN(Cc2nc(=O)c3sccc3[n-]2)C2CCC(O)CC2)c1 ZINC000103479797 1410862018 /nfs/dbraw/zinc/86/20/18/1410862018.db2.gz FQURLIKHJHVYGN-UHFFFAOYSA-N -1 3 399.516 3.299 20 0 GGADHM COc1ccc(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c([O-])c1 ZINC000103532594 1410866682 /nfs/dbraw/zinc/86/66/82/1410866682.db2.gz YGWMLNXVDOJXRG-CYBMUJFWSA-N -1 3 376.403 3.198 20 0 GGADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000104053880 1410883162 /nfs/dbraw/zinc/88/31/62/1410883162.db2.gz IYBBZFYHBMPBHF-UHFFFAOYSA-N -1 3 378.375 3.297 20 0 GGADHM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000104390285 1410894436 /nfs/dbraw/zinc/89/44/36/1410894436.db2.gz SMDDCKRONHZJOI-MRXNPFEDSA-N -1 3 396.422 3.020 20 0 GGADHM CC(C)C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000104728944 1410946388 /nfs/dbraw/zinc/94/63/88/1410946388.db2.gz NCWYOSQKGGSRDJ-IJEWVQPXSA-N -1 3 390.867 3.350 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)cc1Cl ZINC000104733793 1410949998 /nfs/dbraw/zinc/94/99/98/1410949998.db2.gz CFOIGBJDQKXLIG-UHFFFAOYSA-N -1 3 396.871 3.448 20 0 GGADHM 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Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CN2C(=O)CSC2=O)cc1 ZINC000110167727 1411835317 /nfs/dbraw/zinc/83/53/17/1411835317.db2.gz PFCNARLYSGQRLH-UHFFFAOYSA-N -1 3 394.449 3.130 20 0 GGADHM O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000110225396 1411838808 /nfs/dbraw/zinc/83/88/08/1411838808.db2.gz AHTSRNXVMFQYRV-GOSISDBHSA-N -1 3 378.472 3.114 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000110558523 1411857322 /nfs/dbraw/zinc/85/73/22/1411857322.db2.gz SJYNJYPKGVRUQN-NSHDSACASA-N -1 3 381.398 3.086 20 0 GGADHM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000110823178 1411872221 /nfs/dbraw/zinc/87/22/21/1411872221.db2.gz LXRPQDMKUWZPJR-UHFFFAOYSA-N -1 3 381.457 3.203 20 0 GGADHM Cc1nc(C)c(CC(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)c(=O)[n-]1 ZINC000110964632 1411879355 /nfs/dbraw/zinc/87/93/55/1411879355.db2.gz MKDPNWFPDJLWHA-UHFFFAOYSA-N -1 3 383.448 3.054 20 0 GGADHM C[C@@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1ccccc1Cl ZINC000111180196 1411893923 /nfs/dbraw/zinc/89/39/23/1411893923.db2.gz HMMMYDQCLNRVLX-CQSZACIVSA-N -1 3 376.840 3.034 20 0 GGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000111537467 1411988739 /nfs/dbraw/zinc/98/87/39/1411988739.db2.gz OZDXIQNQODTFCJ-AZUAARDMSA-N -1 3 393.487 3.196 20 0 GGADHM COc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1OCC(F)(F)F ZINC000111563034 1411991971 /nfs/dbraw/zinc/99/19/71/1411991971.db2.gz HZAQOCWQLWAODG-UHFFFAOYSA-N -1 3 393.321 3.125 20 0 GGADHM O=C(NCCNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000111569153 1411992705 /nfs/dbraw/zinc/99/27/05/1411992705.db2.gz PGCUVYYQWKJPAS-DLBZAZTESA-N -1 3 392.377 3.061 20 0 GGADHM O=C(Nc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1)c1ccccc1 ZINC000111569496 1411993489 /nfs/dbraw/zinc/99/34/89/1411993489.db2.gz XTPGQILLMXIXSI-UHFFFAOYSA-N -1 3 384.395 3.428 20 0 GGADHM O=C(NCCNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000111569148 1411993569 /nfs/dbraw/zinc/99/35/69/1411993569.db2.gz PGCUVYYQWKJPAS-IRXDYDNUSA-N -1 3 392.377 3.061 20 0 GGADHM CC[C@@H](C)[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2[nH]1 ZINC000111575016 1411994804 /nfs/dbraw/zinc/99/48/04/1411994804.db2.gz ZRXDDHAYHDTCMU-PXAZEXFGSA-N -1 3 375.432 3.317 20 0 GGADHM CC[C@H](C)[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2[nH]1 ZINC000111575022 1411995370 /nfs/dbraw/zinc/99/53/70/1411995370.db2.gz ZRXDDHAYHDTCMU-YVEFUNNKSA-N -1 3 375.432 3.317 20 0 GGADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1N1CCSCC1 ZINC000111592066 1411998380 /nfs/dbraw/zinc/99/83/80/1411998380.db2.gz CYBLDOPARLMIEB-UHFFFAOYSA-N -1 3 380.473 3.037 20 0 GGADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000111598642 1411999320 /nfs/dbraw/zinc/99/93/20/1411999320.db2.gz CQEKBYHVHKSDMM-UHFFFAOYSA-N -1 3 376.441 3.285 20 0 GGADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1nnc2ccccc2c1[O-] ZINC000111614248 1412002498 /nfs/dbraw/zinc/00/24/98/1412002498.db2.gz WDEDZHIQXNMCQQ-UHFFFAOYSA-N -1 3 397.862 3.055 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1nnc2ccccc2c1[O-] ZINC000111616022 1412002617 /nfs/dbraw/zinc/00/26/17/1412002617.db2.gz CUHDXBAEGMKRKX-UHFFFAOYSA-N -1 3 389.814 3.004 20 0 GGADHM O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1nnc2ccccc2c1[O-] ZINC000111618924 1412002726 /nfs/dbraw/zinc/00/27/26/1412002726.db2.gz HLBRQFPYOJJGLC-UHFFFAOYSA-N -1 3 397.797 3.213 20 0 GGADHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1nnc2ccccc2c1[O-] ZINC000111617958 1412002779 /nfs/dbraw/zinc/00/27/79/1412002779.db2.gz FGKLNITZGXNKPB-UHFFFAOYSA-N -1 3 384.395 3.172 20 0 GGADHM O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1c[n-]c2ccccc2c1=O ZINC000111639902 1412005523 /nfs/dbraw/zinc/00/55/23/1412005523.db2.gz QBCZPYSTYWQQSI-MRXNPFEDSA-N -1 3 377.227 3.298 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000111641363 1412006156 /nfs/dbraw/zinc/00/61/56/1412006156.db2.gz LBPQKYUQESHHCP-MRXNPFEDSA-N -1 3 383.231 3.121 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000177177017 1428615705 /nfs/dbraw/zinc/61/57/05/1428615705.db2.gz RHTQGLDICUOXDS-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177180149 1428617820 /nfs/dbraw/zinc/61/78/20/1428617820.db2.gz BNKRMRMWUWHFGZ-ZDUSSCGKSA-N -1 3 384.461 3.023 20 0 GGADHM Cc1cc2oc(=O)cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c2cc1C ZINC000177181467 1428618190 /nfs/dbraw/zinc/61/81/90/1428618190.db2.gz CNPOGSIUABOROX-UHFFFAOYSA-N -1 3 392.455 3.073 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)ccc1F ZINC000111994880 1412063996 /nfs/dbraw/zinc/06/39/96/1412063996.db2.gz KAYIJAKOZUSOEF-HNNXBMFYSA-N -1 3 378.469 3.328 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1F ZINC000111994744 1412064163 /nfs/dbraw/zinc/06/41/63/1412064163.db2.gz ZVCVMCFBPJNOME-HNNXBMFYSA-N -1 3 378.469 3.328 20 0 GGADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)N1CCOCC1 ZINC000111994965 1412064578 /nfs/dbraw/zinc/06/45/78/1412064578.db2.gz LDNLMARNRLZOIX-INIZCTEOSA-N -1 3 386.517 3.369 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000112020231 1412068521 /nfs/dbraw/zinc/06/85/21/1412068521.db2.gz LBYJDQZVOBJWTB-UHFFFAOYSA-N -1 3 384.480 3.251 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000112116344 1412078381 /nfs/dbraw/zinc/07/83/81/1412078381.db2.gz DFZGARPMYPUYME-UHFFFAOYSA-N -1 3 378.432 3.468 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2cc(-c3ccc(C)cc3)no2)cc1OC ZINC000112336282 1412132594 /nfs/dbraw/zinc/13/25/94/1412132594.db2.gz NTKVCBUYKYBFPQ-UHFFFAOYSA-N -1 3 382.416 3.458 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2coc(-c3cccc(F)c3)n2)cc1OC ZINC000112336395 1412132708 /nfs/dbraw/zinc/13/27/08/1412132708.db2.gz VTTYRNNCUWGWMI-UHFFFAOYSA-N -1 3 386.379 3.288 20 0 GGADHM CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000112393314 1412138907 /nfs/dbraw/zinc/13/89/07/1412138907.db2.gz VADBZSMBVJZWIJ-OAHLLOKOSA-N -1 3 392.908 3.465 20 0 GGADHM Cc1ccc(CNC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1F ZINC000112677020 1412190046 /nfs/dbraw/zinc/19/00/46/1412190046.db2.gz KCWZZWGJRNBRLZ-UHFFFAOYSA-N -1 3 380.419 3.194 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC(F)F)c2)cc1 ZINC000112900442 1412232844 /nfs/dbraw/zinc/23/28/44/1412232844.db2.gz QVOMJXSWAUWKOU-UHFFFAOYSA-N -1 3 382.432 3.441 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000177222577 1428639131 /nfs/dbraw/zinc/63/91/31/1428639131.db2.gz YAMMKVNRSRFAQO-KBPBESRZSA-N -1 3 390.480 3.188 20 0 GGADHM COc1cccc(CNC(=O)c2nnc3ccccc3c2[O-])c1OC1CCCC1 ZINC000113443840 1412306481 /nfs/dbraw/zinc/30/64/81/1412306481.db2.gz IZHPGRKQQOWCBJ-UHFFFAOYSA-N -1 3 393.443 3.183 20 0 GGADHM C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccnc1 ZINC000113474482 1412308881 /nfs/dbraw/zinc/30/88/81/1412308881.db2.gz LXCZNVHBCSZXES-LBPRGKRZSA-N -1 3 380.441 3.216 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccccc2Cl)no1 ZINC000113734348 1412338814 /nfs/dbraw/zinc/33/88/14/1412338814.db2.gz UYDRDUQQLVXQSJ-UHFFFAOYSA-N -1 3 379.807 3.435 20 0 GGADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1 ZINC000114054098 1412377662 /nfs/dbraw/zinc/37/76/62/1412377662.db2.gz PJQUIRZTHBLYTP-UHFFFAOYSA-N -1 3 390.505 3.424 20 0 GGADHM CN1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000114072923 1412379381 /nfs/dbraw/zinc/37/93/81/1412379381.db2.gz LPEVLOOKHHEMCK-KRWDZBQOSA-N -1 3 393.896 3.174 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2cccs2)ccc1F ZINC000114306462 1412408654 /nfs/dbraw/zinc/40/86/54/1412408654.db2.gz LLHOOEADSQWGKM-UHFFFAOYSA-N -1 3 398.525 3.282 20 0 GGADHM COc1ccc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826194222 1428648338 /nfs/dbraw/zinc/64/83/38/1428648338.db2.gz FTVYOZVSTLDGSD-QGZVFWFLSA-N -1 3 395.438 3.252 20 0 GGADHM COc1ccc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194222 1428648341 /nfs/dbraw/zinc/64/83/41/1428648341.db2.gz FTVYOZVSTLDGSD-QGZVFWFLSA-N -1 3 395.438 3.252 20 0 GGADHM Cc1noc(COc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)n1 ZINC000114424132 1412432207 /nfs/dbraw/zinc/43/22/07/1412432207.db2.gz AZMVHNHXWQXAIX-UHFFFAOYSA-N -1 3 376.372 3.051 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncoc3[C@H]3CCCO3)c2)n1 ZINC000115032183 1412572308 /nfs/dbraw/zinc/57/23/08/1412572308.db2.gz IOVPYHGPKUDZIO-OAHLLOKOSA-N -1 3 380.404 3.091 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)CC2CC2)ccc1F ZINC000115250502 1412619996 /nfs/dbraw/zinc/61/99/96/1412619996.db2.gz DQJLVSPUWSPLEB-UHFFFAOYSA-N -1 3 382.501 3.165 20 0 GGADHM COc1ccc(CN[C@H](C)c2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000821806070 1428666877 /nfs/dbraw/zinc/66/68/77/1428666877.db2.gz ZOWSDNWSDLZSFX-LLVKDONJSA-N -1 3 375.379 3.328 20 0 GGADHM COc1ccc(CN[C@H](C)c2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821806070 1428666887 /nfs/dbraw/zinc/66/68/87/1428666887.db2.gz ZOWSDNWSDLZSFX-LLVKDONJSA-N -1 3 375.379 3.328 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)c(=O)[n-]1 ZINC000115473751 1412685239 /nfs/dbraw/zinc/68/52/39/1412685239.db2.gz XBIWIZSEQRSBLB-UHFFFAOYSA-N -1 3 378.432 3.372 20 0 GGADHM CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(-c4ccco4)[n-]n3)ccc21 ZINC000115647035 1412744010 /nfs/dbraw/zinc/74/40/10/1412744010.db2.gz IDDDMYXMYQBFNT-LBPRGKRZSA-N -1 3 393.399 3.007 20 0 GGADHM CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(-c4ccco4)n[n-]3)ccc21 ZINC000115647035 1412744023 /nfs/dbraw/zinc/74/40/23/1412744023.db2.gz IDDDMYXMYQBFNT-LBPRGKRZSA-N -1 3 393.399 3.007 20 0 GGADHM CC(C)c1ccc(CCNC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000115646678 1412744170 /nfs/dbraw/zinc/74/41/70/1412744170.db2.gz OFEKYJQOKBLYTR-UHFFFAOYSA-N -1 3 381.432 3.309 20 0 GGADHM CC(C)c1ccc(CCNC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000115646678 1412744174 /nfs/dbraw/zinc/74/41/74/1412744174.db2.gz OFEKYJQOKBLYTR-UHFFFAOYSA-N -1 3 381.432 3.309 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1OC ZINC000115659795 1412750807 /nfs/dbraw/zinc/75/08/07/1412750807.db2.gz OCEMZAOBVFCZKM-KPKJPENVSA-N -1 3 390.461 3.117 20 0 GGADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3nnc4ccccc4c3[O-])s2)c1 ZINC000115722072 1412773223 /nfs/dbraw/zinc/77/32/23/1412773223.db2.gz FLWQKYCEEXVAEK-UHFFFAOYSA-N -1 3 377.429 3.311 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c(=O)[n-]1 ZINC000116030596 1412823098 /nfs/dbraw/zinc/82/30/98/1412823098.db2.gz KMADNXRNDWCVDX-HHHXNRCGSA-N -1 3 389.521 3.005 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c(=O)[n-]1 ZINC000177302318 1428678708 /nfs/dbraw/zinc/67/87/08/1428678708.db2.gz NKVFRZMJIJNULF-SNVBAGLBSA-N -1 3 383.370 3.095 20 0 GGADHM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000116159792 1412838667 /nfs/dbraw/zinc/83/86/67/1412838667.db2.gz LNKCFTIWUYNFOS-RUZDIDTESA-N -1 3 393.530 3.470 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)C)[nH]3)cc2)cc1 ZINC000116306792 1412848840 /nfs/dbraw/zinc/84/88/40/1412848840.db2.gz FDWMWKUMASLUNM-UHFFFAOYSA-N -1 3 399.476 3.290 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c([O-])c1 ZINC000116651588 1412891553 /nfs/dbraw/zinc/89/15/53/1412891553.db2.gz DZRKSKPNTXWDDS-UHFFFAOYSA-N -1 3 382.247 3.348 20 0 GGADHM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000116708627 1412899911 /nfs/dbraw/zinc/89/99/11/1412899911.db2.gz PDWOHZMNCWHPPM-UHFFFAOYSA-N -1 3 395.383 3.366 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c([O-])c1 ZINC000116774065 1412922665 /nfs/dbraw/zinc/92/26/65/1412922665.db2.gz CYRUUYGMGUOOHQ-UHFFFAOYSA-N -1 3 383.448 3.054 20 0 GGADHM O=S(=O)([N-]CCCNc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1F ZINC000117074704 1412994396 /nfs/dbraw/zinc/99/43/96/1412994396.db2.gz DZOSFKYSIGEFDX-UHFFFAOYSA-N -1 3 395.353 3.159 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)c(C)c1C ZINC000117227812 1413014162 /nfs/dbraw/zinc/01/41/62/1413014162.db2.gz ASDKYBZVZZDODN-UHFFFAOYSA-N -1 3 398.488 3.318 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)c(C)c1C ZINC000117228340 1413015389 /nfs/dbraw/zinc/01/53/89/1413015389.db2.gz CLVPTPVPXPGOEG-UHFFFAOYSA-N -1 3 376.478 3.123 20 0 GGADHM CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000117952815 1413092666 /nfs/dbraw/zinc/09/26/66/1413092666.db2.gz ZPSCAVXDXQOCPT-GOSISDBHSA-N -1 3 378.432 3.005 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000117987788 1413095185 /nfs/dbraw/zinc/09/51/85/1413095185.db2.gz GXGZGICYMOTSHO-FQEVSTJZSA-N -1 3 395.503 3.250 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N(CCc1ccccc1)Cc1ccncc1 ZINC000118325688 1413150446 /nfs/dbraw/zinc/15/04/46/1413150446.db2.gz AWRLCEASVHUHMP-UHFFFAOYSA-N -1 3 384.439 3.203 20 0 GGADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118330133 1413151134 /nfs/dbraw/zinc/15/11/34/1413151134.db2.gz CEZKTKWQUSAYIS-UHFFFAOYSA-N -1 3 387.823 3.244 20 0 GGADHM C[C@@H](NCCSCc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C ZINC000824605543 1428710316 /nfs/dbraw/zinc/71/03/16/1428710316.db2.gz JVJHOVHURCIUML-CQSZACIVSA-N -1 3 393.520 3.337 20 0 GGADHM C[C@@H](NCCSCc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C ZINC000824605543 1428710321 /nfs/dbraw/zinc/71/03/21/1428710321.db2.gz JVJHOVHURCIUML-CQSZACIVSA-N -1 3 393.520 3.337 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000118951898 1413271718 /nfs/dbraw/zinc/27/17/18/1413271718.db2.gz UHCLSBYUJURGPL-OAHLLOKOSA-N -1 3 377.359 3.031 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)nc3-c3cccs3)nc21 ZINC000119002499 1413300329 /nfs/dbraw/zinc/30/03/29/1413300329.db2.gz WBQQXGNGAVNHOC-UHFFFAOYSA-N -1 3 381.417 3.064 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(CC(C)C)c3C3CC3)nc21 ZINC000119002813 1413300835 /nfs/dbraw/zinc/30/08/35/1413300835.db2.gz WXQQISUNPBJJNH-UHFFFAOYSA-N -1 3 381.436 3.332 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OC3CCCC3)c2)ccc1F ZINC000177403234 1428720742 /nfs/dbraw/zinc/72/07/42/1428720742.db2.gz LTDPLSNHNZYPLX-UHFFFAOYSA-N -1 3 392.452 3.308 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c(C)o1 ZINC000119214109 1413377436 /nfs/dbraw/zinc/37/74/36/1413377436.db2.gz DCSUKFJIYMZWSY-UZLBHIALSA-N -1 3 388.489 3.038 20 0 GGADHM COC(=O)c1sc2[n-]c(CN([C@@H](C)c3ccco3)C3CC3)nc(=O)c2c1C ZINC000119232088 1413383559 /nfs/dbraw/zinc/38/35/59/1413383559.db2.gz LVVNCUJHBYXFSM-NSHDSACASA-N -1 3 387.461 3.398 20 0 GGADHM COc1ccc(C(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000119231552 1413383635 /nfs/dbraw/zinc/38/36/35/1413383635.db2.gz IJXPJWUCNCARLF-OAHLLOKOSA-N -1 3 392.337 3.057 20 0 GGADHM COc1ccccc1-c1csc(NC(=O)c2cnc3c(cnn3C)c2[O-])n1 ZINC000119235444 1413384709 /nfs/dbraw/zinc/38/47/09/1413384709.db2.gz RXKRWQQWJNOIQA-UHFFFAOYSA-N -1 3 381.417 3.058 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)ccc1F ZINC000177407809 1428722651 /nfs/dbraw/zinc/72/26/51/1428722651.db2.gz LFDRGPQXDIXSSR-GFCCVEGCSA-N -1 3 390.436 3.313 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119245435 1413387794 /nfs/dbraw/zinc/38/77/94/1413387794.db2.gz INSIKWZQILHDEB-UHFFFAOYSA-N -1 3 381.436 3.219 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC2(CCOCC2)C1 ZINC000119283930 1413398907 /nfs/dbraw/zinc/39/89/07/1413398907.db2.gz XENREYKZFAFYTL-UHFFFAOYSA-N -1 3 381.472 3.199 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3F)c(C)c2)CC1 ZINC000119369045 1413426280 /nfs/dbraw/zinc/42/62/80/1413426280.db2.gz NJAFVRQFUSIMKZ-UHFFFAOYSA-N -1 3 377.485 3.077 20 0 GGADHM COc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000821818697 1428727742 /nfs/dbraw/zinc/72/77/42/1428727742.db2.gz YLYOLZMJRSVYEO-UHFFFAOYSA-N -1 3 393.369 3.106 20 0 GGADHM COc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000821818697 1428727755 /nfs/dbraw/zinc/72/77/55/1428727755.db2.gz YLYOLZMJRSVYEO-UHFFFAOYSA-N -1 3 393.369 3.106 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1F ZINC000119438260 1413446747 /nfs/dbraw/zinc/44/67/47/1413446747.db2.gz RVGVTVSKAXXUMK-UHFFFAOYSA-N -1 3 386.395 3.433 20 0 GGADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000119476980 1413460620 /nfs/dbraw/zinc/46/06/20/1413460620.db2.gz LESFIJKXWDIACB-CQSZACIVSA-N -1 3 377.359 3.165 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)ccc1F ZINC000177424143 1428730479 /nfs/dbraw/zinc/73/04/79/1428730479.db2.gz QGYHOMZHESHNSX-CYBMUJFWSA-N -1 3 394.468 3.012 20 0 GGADHM C[C@@H](CSCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000119602044 1413499998 /nfs/dbraw/zinc/49/99/98/1413499998.db2.gz RJPXDOJOFMAWOS-KRWDZBQOSA-N -1 3 398.528 3.246 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2oc3ccccc3c2C)ccc1F ZINC000177429208 1428733428 /nfs/dbraw/zinc/73/34/28/1428733428.db2.gz MEKPAANMGDUWOY-LBPRGKRZSA-N -1 3 390.436 3.279 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1F ZINC000177436200 1428736791 /nfs/dbraw/zinc/73/67/91/1428736791.db2.gz WWEKYMRDWCWAEY-UHFFFAOYSA-N -1 3 378.469 3.308 20 0 GGADHM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000177437823 1428736853 /nfs/dbraw/zinc/73/68/53/1428736853.db2.gz ZIVWZIVFRRVGBZ-LBPRGKRZSA-N -1 3 380.441 3.163 20 0 GGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1 ZINC000119763023 1413559731 /nfs/dbraw/zinc/55/97/31/1413559731.db2.gz CSUGDEPDWWDFQY-LBPRGKRZSA-N -1 3 375.429 3.116 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000119771512 1413563725 /nfs/dbraw/zinc/56/37/25/1413563725.db2.gz QTHKJWIUTXZNLS-YLJYHZDGSA-N -1 3 396.487 3.105 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1F ZINC000119778036 1413565090 /nfs/dbraw/zinc/56/50/90/1413565090.db2.gz MUOBQOPXMRPXOR-OAHLLOKOSA-N -1 3 396.242 3.458 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1F ZINC000177443207 1428739094 /nfs/dbraw/zinc/73/90/94/1428739094.db2.gz BBZVEJBLVFGTIQ-UHFFFAOYSA-N -1 3 394.321 3.144 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)ccc1F ZINC000177431934 1428734804 /nfs/dbraw/zinc/73/48/04/1428734804.db2.gz CULPTSUZDDHLKK-NSHDSACASA-N -1 3 384.860 3.220 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000119943501 1413626505 /nfs/dbraw/zinc/62/65/05/1413626505.db2.gz UICPIJQBYCQKGE-UHFFFAOYSA-N -1 3 391.265 3.295 20 0 GGADHM CC(C)Oc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000120022707 1413657003 /nfs/dbraw/zinc/65/70/03/1413657003.db2.gz JXMDKNQJLPNGPW-CYBMUJFWSA-N -1 3 375.899 3.201 20 0 GGADHM CC(C)Oc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000120048136 1413667157 /nfs/dbraw/zinc/66/71/57/1413667157.db2.gz JRHHROPISWDIIV-MRXNPFEDSA-N -1 3 387.860 3.278 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000120048268 1413667407 /nfs/dbraw/zinc/66/74/07/1413667407.db2.gz JRHHROPISWDIIV-INIZCTEOSA-N -1 3 387.860 3.278 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000120050244 1413668089 /nfs/dbraw/zinc/66/80/89/1413668089.db2.gz CRAFBYWDXSGORN-HNNXBMFYSA-N -1 3 387.860 3.278 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000120132294 1413700757 /nfs/dbraw/zinc/70/07/57/1413700757.db2.gz BODBOPPPRUKZNQ-MOPGFXCFSA-N -1 3 384.863 3.134 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCn3cccn3)cc2)cc1 ZINC000120282564 1413766723 /nfs/dbraw/zinc/76/67/23/1413766723.db2.gz DODKBFLKGVPLFV-UHFFFAOYSA-N -1 3 384.461 3.021 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccncc4)on3)c2)n1 ZINC000120311719 1413779279 /nfs/dbraw/zinc/77/92/79/1413779279.db2.gz QDAQYPLPTXCLNQ-UHFFFAOYSA-N -1 3 387.399 3.302 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)ccc1F ZINC000177477159 1428759030 /nfs/dbraw/zinc/75/90/30/1428759030.db2.gz OAMGQUTYRWNTKR-GOSISDBHSA-N -1 3 378.469 3.203 20 0 GGADHM CSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000120546677 1413840654 /nfs/dbraw/zinc/84/06/54/1413840654.db2.gz GJICISRRFHKYTD-CYBMUJFWSA-N -1 3 396.509 3.498 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000120806615 1413909305 /nfs/dbraw/zinc/90/93/05/1413909305.db2.gz VKOLCFGXDAHKIF-UKRRQHHQSA-N -1 3 395.297 3.457 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)ccc1F ZINC000177490631 1428765633 /nfs/dbraw/zinc/76/56/33/1428765633.db2.gz QIFDYGZTGVMZGA-VIFPVBQESA-N -1 3 388.823 3.017 20 0 GGADHM CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000120847525 1413925151 /nfs/dbraw/zinc/92/51/51/1413925151.db2.gz QFVYNPUURNHVPA-AWEZNQCLSA-N -1 3 376.453 3.499 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1)c1cc(Br)ccc1Cl ZINC000120854155 1413927265 /nfs/dbraw/zinc/92/72/65/1413927265.db2.gz ZIPZXHJXKARFCP-ZDUSSCGKSA-N -1 3 390.686 3.114 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)ccc1F ZINC000177491966 1428766565 /nfs/dbraw/zinc/76/65/65/1428766565.db2.gz AQECYZBBXISTPO-ZBFHGGJFSA-N -1 3 390.480 3.060 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1ccc(Br)s1 ZINC000120915047 1413946552 /nfs/dbraw/zinc/94/65/52/1413946552.db2.gz HFEADJFAWVPYHR-JTQLQIEISA-N -1 3 396.715 3.176 20 0 GGADHM COc1ccccc1C[C@H]1CCC[C@H]1OC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000120915164 1413946657 /nfs/dbraw/zinc/94/66/57/1413946657.db2.gz FDYAKNXGVHFETA-YLJYHZDGSA-N -1 3 384.476 3.283 20 0 GGADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]C[C@@H](O)c1ccccc1Cl ZINC000120920738 1413949229 /nfs/dbraw/zinc/94/92/29/1413949229.db2.gz HHOCTTYPEBGBDX-GOSISDBHSA-N -1 3 392.864 3.148 20 0 GGADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)[nH]2)cc1 ZINC000120947676 1413956784 /nfs/dbraw/zinc/95/67/84/1413956784.db2.gz NALLARATEQFJDZ-UHFFFAOYSA-N -1 3 399.476 3.290 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)no1 ZINC000120975762 1413965155 /nfs/dbraw/zinc/96/51/55/1413965155.db2.gz UBDQCCINRJXJIW-UHFFFAOYSA-N -1 3 389.408 3.484 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000120993114 1413971031 /nfs/dbraw/zinc/97/10/31/1413971031.db2.gz PPUAPRWRVRVLNF-VIFPVBQESA-N -1 3 393.415 3.209 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000121008738 1413975468 /nfs/dbraw/zinc/97/54/68/1413975468.db2.gz VBLNQAOJKRWORE-UHFFFAOYSA-N -1 3 392.386 3.017 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)ccc1F ZINC000177500266 1428771333 /nfs/dbraw/zinc/77/13/33/1428771333.db2.gz RHAKWIZUJDCYRB-YVEFUNNKSA-N -1 3 394.443 3.096 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)ccc1F ZINC000177500280 1428771367 /nfs/dbraw/zinc/77/13/67/1428771367.db2.gz RHAKWIZUJDCYRB-PXAZEXFGSA-N -1 3 394.443 3.096 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177500737 1428771426 /nfs/dbraw/zinc/77/14/26/1428771426.db2.gz GNEFAHGKLKBSKL-KRWDZBQOSA-N -1 3 392.496 3.136 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccsc2)sc1Br ZINC000121135051 1414020236 /nfs/dbraw/zinc/02/02/36/1414020236.db2.gz UQPOTGCZKQDNBH-GFCCVEGCSA-N -1 3 396.353 3.067 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)c2ccsc2)sc1Br ZINC000121134896 1414020421 /nfs/dbraw/zinc/02/04/21/1414020421.db2.gz UQPOTGCZKQDNBH-LBPRGKRZSA-N -1 3 396.353 3.067 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000121136812 1414021105 /nfs/dbraw/zinc/02/11/05/1414021105.db2.gz IFVZVERVUPFBGW-CYBMUJFWSA-N -1 3 383.388 3.092 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)c(C)c1 ZINC000121202366 1414042512 /nfs/dbraw/zinc/04/25/12/1414042512.db2.gz DTDQSDVGHZJLSW-UHFFFAOYSA-N -1 3 384.461 3.009 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000121218652 1414047588 /nfs/dbraw/zinc/04/75/88/1414047588.db2.gz XUSGKVNCGLHIGL-IBGZPJMESA-N -1 3 390.411 3.436 20 0 GGADHM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000121222859 1414048766 /nfs/dbraw/zinc/04/87/66/1414048766.db2.gz XNOSOAIWPCWPFW-UHFFFAOYSA-N -1 3 390.505 3.201 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1 ZINC000121227187 1414050326 /nfs/dbraw/zinc/05/03/26/1414050326.db2.gz WNIQYPYVCNFUQW-UHFFFAOYSA-N -1 3 376.434 3.347 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1 ZINC000121236144 1414053853 /nfs/dbraw/zinc/05/38/53/1414053853.db2.gz UAYIDNUZHNJWEH-IBGZPJMESA-N -1 3 390.411 3.436 20 0 GGADHM CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000121273492 1414066882 /nfs/dbraw/zinc/06/68/82/1414066882.db2.gz ZLSXKHPWLSDGEF-HXUWFJFHSA-N -1 3 381.476 3.257 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)ccc1F ZINC000177503521 1428773051 /nfs/dbraw/zinc/77/30/51/1428773051.db2.gz GWIYEHUPZDIRRI-UHFFFAOYSA-N -1 3 390.358 3.091 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c(=O)[n-]1 ZINC000121285335 1414071165 /nfs/dbraw/zinc/07/11/65/1414071165.db2.gz KCGDDGSHHUAAIL-UHFFFAOYSA-N -1 3 393.491 3.326 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)ccc1F ZINC000177518434 1428779504 /nfs/dbraw/zinc/77/95/04/1428779504.db2.gz IQUIPZBLFSOOSC-SECBINFHSA-N -1 3 388.823 3.017 20 0 GGADHM CC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000121454513 1414130551 /nfs/dbraw/zinc/13/05/51/1414130551.db2.gz QGHMQJRCVCOQMC-SFHVURJKSA-N -1 3 382.460 3.275 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(CN4CCOC4=O)cc3)c[n-]c12 ZINC000121456851 1414131942 /nfs/dbraw/zinc/13/19/42/1414131942.db2.gz MTELPILUCJFDPP-UHFFFAOYSA-N -1 3 395.390 3.180 20 0 GGADHM Cc1c(I)cccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000121480438 1414143034 /nfs/dbraw/zinc/14/30/34/1414143034.db2.gz JJZVVAIMVFEEMI-LBPRGKRZSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1c(I)cccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000121480438 1414143049 /nfs/dbraw/zinc/14/30/49/1414143049.db2.gz JJZVVAIMVFEEMI-LBPRGKRZSA-N -1 3 376.194 3.179 20 0 GGADHM Cc1nc(-c2cccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)c2)n[nH]1 ZINC000121493442 1414148543 /nfs/dbraw/zinc/14/85/43/1414148543.db2.gz BNIYOEXWVZXNQS-UHFFFAOYSA-N -1 3 377.379 3.321 20 0 GGADHM CCCNC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000121569357 1414181699 /nfs/dbraw/zinc/18/16/99/1414181699.db2.gz RNUQTQICTVLSEF-UHFFFAOYSA-N -1 3 381.407 3.368 20 0 GGADHM CC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1OC(F)F ZINC000121641295 1414209670 /nfs/dbraw/zinc/20/96/70/1414209670.db2.gz PDJZRCYUEHPEBQ-HNNXBMFYSA-N -1 3 379.407 3.188 20 0 GGADHM Cc1ccc(C(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c([O-])c1 ZINC000121700533 1414228841 /nfs/dbraw/zinc/22/88/41/1414228841.db2.gz KKDVNNWPMRSYBN-UHFFFAOYSA-N -1 3 398.894 3.350 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000737637654 1428792890 /nfs/dbraw/zinc/79/28/90/1428792890.db2.gz BAQCWUSGUKXVBP-UHFFFAOYSA-N -1 3 377.427 3.262 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000737637654 1428792895 /nfs/dbraw/zinc/79/28/95/1428792895.db2.gz BAQCWUSGUKXVBP-UHFFFAOYSA-N -1 3 377.427 3.262 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C)c1 ZINC000121825496 1414270110 /nfs/dbraw/zinc/27/01/10/1414270110.db2.gz STGSNNKWZAVSDS-UHFFFAOYSA-N -1 3 382.432 3.115 20 0 GGADHM C[C@]1(C(=O)Nc2cc(Br)ccc2[O-])Cc2ccccc2C(=O)O1 ZINC000121873167 1414286333 /nfs/dbraw/zinc/28/63/33/1414286333.db2.gz NZGVDCFTINAAPF-QGZVFWFLSA-N -1 3 376.206 3.265 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)cc1F ZINC000121900616 1414299422 /nfs/dbraw/zinc/29/94/22/1414299422.db2.gz DYWVTXZLOVCXIH-UHFFFAOYSA-N -1 3 394.443 3.490 20 0 GGADHM Cc1ccc(CNC(=O)N[N-]C(=O)c2ccc(F)cc2Br)s1 ZINC000121905543 1414301354 /nfs/dbraw/zinc/30/13/54/1414301354.db2.gz XNVNRFKWAKPYMV-UHFFFAOYSA-N -1 3 386.246 3.102 20 0 GGADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C)o1 ZINC000121907094 1414302257 /nfs/dbraw/zinc/30/22/57/1414302257.db2.gz VMRXOUZQWFNWEH-HNNXBMFYSA-N -1 3 395.374 3.240 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)nc2)cc1F ZINC000121925729 1414309769 /nfs/dbraw/zinc/30/97/69/1414309769.db2.gz LDFJTDAASFSTLR-UHFFFAOYSA-N -1 3 396.337 3.088 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCc3nccn3C)c2)cc1 ZINC000122038978 1414345534 /nfs/dbraw/zinc/34/55/34/1414345534.db2.gz MOJBHDATFZAYEC-UHFFFAOYSA-N -1 3 399.472 3.195 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000122066194 1414353424 /nfs/dbraw/zinc/35/34/24/1414353424.db2.gz IGEOPHPPCKPTQK-ZDUSSCGKSA-N -1 3 398.846 3.155 20 0 GGADHM Cc1ccc2c(c1)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)CC2 ZINC000122086275 1414359389 /nfs/dbraw/zinc/35/93/89/1414359389.db2.gz CZVNQJKZUPMRNV-UHFFFAOYSA-N -1 3 376.453 3.024 20 0 GGADHM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000122094862 1414361410 /nfs/dbraw/zinc/36/14/10/1414361410.db2.gz AGLOGCUHGOKCHY-ZDUSSCGKSA-N -1 3 393.484 3.131 20 0 GGADHM CC(C)N(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC000820115998 1428801942 /nfs/dbraw/zinc/80/19/42/1428801942.db2.gz DNCWIRFIURMMQH-UHFFFAOYSA-N -1 3 382.443 3.245 20 0 GGADHM CC(C)N(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000820115998 1428801945 /nfs/dbraw/zinc/80/19/45/1428801945.db2.gz DNCWIRFIURMMQH-UHFFFAOYSA-N -1 3 382.443 3.245 20 0 GGADHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)C1 ZINC000122103655 1414364005 /nfs/dbraw/zinc/36/40/05/1414364005.db2.gz WZOZBQSNNODDBY-CQSZACIVSA-N -1 3 396.459 3.087 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCc2nnc(-c3ccc(Br)o3)o2)cc1 ZINC000177580258 1428802124 /nfs/dbraw/zinc/80/21/24/1428802124.db2.gz WKZJJXXCPAYSMD-UHFFFAOYSA-N -1 3 392.209 3.191 20 0 GGADHM COc1cccc(CN(C)C(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000177597040 1428806371 /nfs/dbraw/zinc/80/63/71/1428806371.db2.gz ZNNIEBACMNBNRE-UHFFFAOYSA-N -1 3 392.455 3.097 20 0 GGADHM COc1ccc(CN(C)C(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000177597120 1428806430 /nfs/dbraw/zinc/80/64/30/1428806430.db2.gz NJFQHCANOCOUGK-UHFFFAOYSA-N -1 3 392.455 3.097 20 0 GGADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N[C@H]1CCOc2ccccc21 ZINC000177597293 1428806530 /nfs/dbraw/zinc/80/65/30/1428806530.db2.gz VKZOTNKAFNOHLQ-FQEVSTJZSA-N -1 3 390.439 3.070 20 0 GGADHM CC(=O)Nc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cs1 ZINC000122286746 1414412071 /nfs/dbraw/zinc/41/20/71/1414412071.db2.gz GDKVLZXJXFPUBR-UHFFFAOYSA-N -1 3 384.465 3.436 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000122399579 1414447191 /nfs/dbraw/zinc/44/71/91/1414447191.db2.gz YLBNRLRDIBZGJD-NSHDSACASA-N -1 3 382.445 3.360 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000122409998 1414450807 /nfs/dbraw/zinc/45/08/07/1414450807.db2.gz KFJKZCZDCKSOEA-LBPRGKRZSA-N -1 3 393.415 3.287 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)cc1F ZINC000122412888 1414451261 /nfs/dbraw/zinc/45/12/61/1414451261.db2.gz UOKWWYZHAHMHTK-GFCCVEGCSA-N -1 3 393.415 3.287 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000177614377 1428811128 /nfs/dbraw/zinc/81/11/28/1428811128.db2.gz SRIWYOZYJOLWKI-NRFANRHFSA-N -1 3 389.499 3.462 20 0 GGADHM O=C(c1cnc(-c2ccccc2)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000122577824 1414506619 /nfs/dbraw/zinc/50/66/19/1414506619.db2.gz KFNBDIDGPSJSEO-UHFFFAOYSA-N -1 3 393.468 3.114 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000122606335 1414514790 /nfs/dbraw/zinc/51/47/90/1414514790.db2.gz GPJCNSIDXFQUSW-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000122687557 1414538602 /nfs/dbraw/zinc/53/86/02/1414538602.db2.gz ZTNPURZLJFFHLL-GJZGRUSLSA-N -1 3 384.398 3.045 20 0 GGADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000122743529 1414553997 /nfs/dbraw/zinc/55/39/97/1414553997.db2.gz WHLKMJYQGREABL-HZMBPMFUSA-N -1 3 375.277 3.179 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000122782958 1414563856 /nfs/dbraw/zinc/56/38/56/1414563856.db2.gz DKGSTVDAZKYCOT-ZDUSSCGKSA-N -1 3 398.413 3.181 20 0 GGADHM CCc1nn(C)c(CC)c1CN(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825755379 1428818534 /nfs/dbraw/zinc/81/85/34/1428818534.db2.gz WPIHXHDONXSGRV-UHFFFAOYSA-N -1 3 381.528 3.383 20 0 GGADHM CCc1nn(C)c(CC)c1CN(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825755379 1428818540 /nfs/dbraw/zinc/81/85/40/1428818540.db2.gz WPIHXHDONXSGRV-UHFFFAOYSA-N -1 3 381.528 3.383 20 0 GGADHM CNC(=O)c1sc2[n-]c(Cn3c4ccccc4nc3C(C)C)nc(=O)c2c1C ZINC000122803804 1414569326 /nfs/dbraw/zinc/56/93/26/1414569326.db2.gz OXSFXKFQVCQJMG-UHFFFAOYSA-N -1 3 395.488 3.174 20 0 GGADHM CC(C)(C)OC(=O)N[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000122856337 1414581268 /nfs/dbraw/zinc/58/12/68/1414581268.db2.gz HXJWMZNRDQKXNG-CYBMUJFWSA-N -1 3 392.880 3.061 20 0 GGADHM c1coc([C@H](CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)N2CCCC2)c1 ZINC000826526050 1428820908 /nfs/dbraw/zinc/82/09/08/1428820908.db2.gz JEKUXVUFKYKZEE-KRWDZBQOSA-N -1 3 375.436 3.257 20 0 GGADHM c1coc([C@H](CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)N2CCCC2)c1 ZINC000826526050 1428820914 /nfs/dbraw/zinc/82/09/14/1428820914.db2.gz JEKUXVUFKYKZEE-KRWDZBQOSA-N -1 3 375.436 3.257 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)ccc1F ZINC000177654444 1428823895 /nfs/dbraw/zinc/82/38/95/1428823895.db2.gz OYLNGAAENSEACY-UHFFFAOYSA-N -1 3 396.415 3.057 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3COc4ccc(F)cc4C3)c2)n1 ZINC000123073336 1414634128 /nfs/dbraw/zinc/63/41/28/1414634128.db2.gz KRAJKTUESSVNAB-HNNXBMFYSA-N -1 3 393.418 3.328 20 0 GGADHM O=S(=O)([N-]CC[C@@H](O)c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000123179908 1414661764 /nfs/dbraw/zinc/66/17/64/1414661764.db2.gz JLTFTMGHUVJHJV-CQSZACIVSA-N -1 3 377.359 3.247 20 0 GGADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3cccc4c3COC4=O)cc2[nH]1 ZINC000123250354 1414678425 /nfs/dbraw/zinc/67/84/25/1414678425.db2.gz ATUOBOFWXLOUBT-UHFFFAOYSA-N -1 3 385.445 3.377 20 0 GGADHM Cc1cc(-c2nnn(Cc3nc(=O)c4c5c(sc4[n-]3)CCCC5)n2)ccc1F ZINC000123265561 1414682212 /nfs/dbraw/zinc/68/22/12/1414682212.db2.gz CLJQBFXSOFGFGI-UHFFFAOYSA-N -1 3 396.451 3.013 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC(F)F)c(C)o1 ZINC000177673991 1428830354 /nfs/dbraw/zinc/83/03/54/1428830354.db2.gz NSBGWUIFPHVZPL-UHFFFAOYSA-N -1 3 376.406 3.063 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000123400304 1414717016 /nfs/dbraw/zinc/71/70/16/1414717016.db2.gz KNTQIQRUEAPDGU-VQIMIIECSA-N -1 3 386.448 3.452 20 0 GGADHM C[C@H]1c2ccccc2CN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820827663 1428837412 /nfs/dbraw/zinc/83/74/12/1428837412.db2.gz VNVBQIZCVCCNII-LBPRGKRZSA-N -1 3 382.855 3.426 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)nc1Cl ZINC000123646621 1414802953 /nfs/dbraw/zinc/80/29/53/1414802953.db2.gz NCDKYNPLTNWOKW-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2)sc1Br ZINC000123669829 1414806772 /nfs/dbraw/zinc/80/67/72/1414806772.db2.gz KFSWSXINSXMKHA-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000123725536 1414816097 /nfs/dbraw/zinc/81/60/97/1414816097.db2.gz OASSMEJMNGASDH-UHFFFAOYSA-N -1 3 377.828 3.053 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c(=O)[n-]1 ZINC000123782225 1414824112 /nfs/dbraw/zinc/82/41/12/1414824112.db2.gz GNXFBDSHRDMTOX-UHFFFAOYSA-N -1 3 389.761 3.162 20 0 GGADHM O=c1[n-]c(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)nc2c3ccccc3oc21 ZINC000123857751 1414836230 /nfs/dbraw/zinc/83/62/30/1414836230.db2.gz NLTKPOWDXRGTCA-KGLIPLIRSA-N -1 3 385.489 3.156 20 0 GGADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000123857872 1414836257 /nfs/dbraw/zinc/83/62/57/1414836257.db2.gz GXYDVAMENJTNIX-BONVTDFDSA-N -1 3 375.824 3.409 20 0 GGADHM Cc1cncc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000123869938 1414839674 /nfs/dbraw/zinc/83/96/74/1414839674.db2.gz OSEYVUUTJLFQNQ-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000123907616 1414847302 /nfs/dbraw/zinc/84/73/02/1414847302.db2.gz FPKUTECIQQDDHK-ZUZCIYMTSA-N -1 3 375.824 3.409 20 0 GGADHM O=c1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cccn1Cc1ccccc1 ZINC000123992743 1414864496 /nfs/dbraw/zinc/86/44/96/1414864496.db2.gz CAMLZSYYQSIPEL-UHFFFAOYSA-N -1 3 392.839 3.490 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](O)c1ccccc1F ZINC000124055162 1414877491 /nfs/dbraw/zinc/87/74/91/1414877491.db2.gz NILXNGHWSRLBAG-GDBMZVCRSA-N -1 3 375.824 3.409 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc3oc(C(F)(F)F)nc32)c(=O)[n-]1 ZINC000124206548 1414908072 /nfs/dbraw/zinc/90/80/72/1414908072.db2.gz MXPZFKKALODADV-UHFFFAOYSA-N -1 3 380.326 3.118 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000124310657 1414935590 /nfs/dbraw/zinc/93/55/90/1414935590.db2.gz CCCGDMLSELVITA-UHFFFAOYSA-N -1 3 377.194 3.364 20 0 GGADHM O=C(c1occc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000124557907 1414993564 /nfs/dbraw/zinc/99/35/64/1414993564.db2.gz ZMUONFAVLQZOCR-UHFFFAOYSA-N -1 3 394.402 3.390 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000124837736 1415055534 /nfs/dbraw/zinc/05/55/34/1415055534.db2.gz YLGGPJFBTOZVLF-ZDUSSCGKSA-N -1 3 375.469 3.482 20 0 GGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000124968507 1415083063 /nfs/dbraw/zinc/08/30/63/1415083063.db2.gz COKXMBRPRWTLKM-UHFFFAOYSA-N -1 3 379.457 3.149 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 ZINC000125155655 1415120228 /nfs/dbraw/zinc/12/02/28/1415120228.db2.gz BJDIBLYCDAQQFX-UHFFFAOYSA-N -1 3 386.429 3.024 20 0 GGADHM Cc1cccc2c(=O)n(CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cnc12 ZINC000125253366 1415142597 /nfs/dbraw/zinc/14/25/97/1415142597.db2.gz HEMGJYOGKWQLHN-UHFFFAOYSA-N -1 3 391.349 3.458 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n[n-]2)o1 ZINC000177823145 1428865218 /nfs/dbraw/zinc/86/52/18/1428865218.db2.gz WTUACCHWFQJKLR-CQSZACIVSA-N -1 3 397.410 3.003 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000125356480 1415173864 /nfs/dbraw/zinc/17/38/64/1415173864.db2.gz GVISDGWLYZZFMP-UHFFFAOYSA-N -1 3 385.386 3.277 20 0 GGADHM Cc1cccc2c1N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)CC2 ZINC000125509217 1415216915 /nfs/dbraw/zinc/21/69/15/1415216915.db2.gz YRJPCAQXRICNNK-UHFFFAOYSA-N -1 3 376.453 3.024 20 0 GGADHM OCCCN(Cc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCCc2ccccc21 ZINC000826509649 1428878254 /nfs/dbraw/zinc/87/82/54/1428878254.db2.gz CFDRMUVOKGAGSV-IBGZPJMESA-N -1 3 381.455 3.268 20 0 GGADHM OCCCN(Cc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCCc2ccccc21 ZINC000826509649 1428878262 /nfs/dbraw/zinc/87/82/62/1428878262.db2.gz CFDRMUVOKGAGSV-IBGZPJMESA-N -1 3 381.455 3.268 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000125569676 1415228413 /nfs/dbraw/zinc/22/84/13/1415228413.db2.gz LOKBQNYCDASYGM-NSHDSACASA-N -1 3 381.448 3.476 20 0 GGADHM CC(C)N(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000125676016 1415252056 /nfs/dbraw/zinc/25/20/56/1415252056.db2.gz GZFVWJQKNRTEMI-UHFFFAOYSA-N -1 3 395.912 3.420 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2N(C)C2CCCC2)c(C)o1 ZINC000125699616 1415257524 /nfs/dbraw/zinc/25/75/24/1415257524.db2.gz AYYNQKVBXKWOEL-UHFFFAOYSA-N -1 3 391.493 3.127 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000125712142 1415259590 /nfs/dbraw/zinc/25/95/90/1415259590.db2.gz GCFNPNJZXPGDDV-LBPRGKRZSA-N -1 3 399.438 3.003 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000125714755 1415260516 /nfs/dbraw/zinc/26/05/16/1415260516.db2.gz ZIJKGVNTBMNWTG-GFCCVEGCSA-N -1 3 399.438 3.003 20 0 GGADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2c([O-])cccc2O)CC1)c1ccccc1 ZINC000125756529 1415271450 /nfs/dbraw/zinc/27/14/50/1415271450.db2.gz QJCHBEZUSLWLRE-QGZVFWFLSA-N -1 3 382.460 3.012 20 0 GGADHM Cn1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(-c2cccs2)n1 ZINC000826360691 1428891138 /nfs/dbraw/zinc/89/11/38/1428891138.db2.gz UMOZDXRGWXTFGY-UHFFFAOYSA-N -1 3 391.504 3.493 20 0 GGADHM Cn1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(-c2cccs2)n1 ZINC000826360691 1428891142 /nfs/dbraw/zinc/89/11/42/1428891142.db2.gz UMOZDXRGWXTFGY-UHFFFAOYSA-N -1 3 391.504 3.493 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000125853679 1415297391 /nfs/dbraw/zinc/29/73/91/1415297391.db2.gz SUWAFUDWVVDHPR-UHFFFAOYSA-N -1 3 378.476 3.090 20 0 GGADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000125874520 1415302369 /nfs/dbraw/zinc/30/23/69/1415302369.db2.gz OIHGTLRORHRNMC-VIFPVBQESA-N -1 3 377.322 3.472 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000126019633 1415337830 /nfs/dbraw/zinc/33/78/30/1415337830.db2.gz AWSLAIHPWIUYCY-UHFFFAOYSA-N -1 3 382.126 3.223 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)cc(OC)c1[O-] ZINC000126032124 1415340175 /nfs/dbraw/zinc/34/01/75/1415340175.db2.gz AKYQWBFTYPJVFT-AWEZNQCLSA-N -1 3 381.432 3.145 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3(C)CCC3)c2)cc1 ZINC000126085172 1415353910 /nfs/dbraw/zinc/35/39/10/1415353910.db2.gz BNPLPNLJJNMOIN-UHFFFAOYSA-N -1 3 388.489 3.477 20 0 GGADHM CN(C)C(=O)c1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccn1 ZINC000126094299 1415356689 /nfs/dbraw/zinc/35/66/89/1415356689.db2.gz QOOQNFYEXOCBPM-UHFFFAOYSA-N -1 3 375.428 3.332 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000126121054 1415362567 /nfs/dbraw/zinc/36/25/67/1415362567.db2.gz SLBLCJIDGMLZQR-UHFFFAOYSA-N -1 3 383.835 3.260 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H](O)c1ccccc1Cl ZINC000126190322 1415380885 /nfs/dbraw/zinc/38/08/85/1415380885.db2.gz CVEILNLERRUHRI-HNNXBMFYSA-N -1 3 399.672 3.341 20 0 GGADHM CC(C)(C)c1ccc(NNC(=O)NCc2ccc([O-])c(Br)c2)nn1 ZINC000126257424 1415395750 /nfs/dbraw/zinc/39/57/50/1415395750.db2.gz AAZMLTUGKGUCKH-UHFFFAOYSA-N -1 3 394.273 3.069 20 0 GGADHM C[C@@H](O)c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178040271 1428951737 /nfs/dbraw/zinc/95/17/37/1428951737.db2.gz ZGGPNBAEDPUZRT-LLVKDONJSA-N -1 3 379.254 3.207 20 0 GGADHM Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826330804 1428955436 /nfs/dbraw/zinc/95/54/36/1428955436.db2.gz ISZAJLNBQJMXOX-CYBMUJFWSA-N -1 3 377.427 3.351 20 0 GGADHM Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826330804 1428955439 /nfs/dbraw/zinc/95/54/39/1428955439.db2.gz ISZAJLNBQJMXOX-CYBMUJFWSA-N -1 3 377.427 3.351 20 0 GGADHM CS(=O)(=O)Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000126949623 1415616521 /nfs/dbraw/zinc/61/65/21/1415616521.db2.gz YGRGSQTXJJKLPQ-VCHYOVAHSA-N -1 3 382.279 3.318 20 0 GGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)s1 ZINC000126982377 1415624943 /nfs/dbraw/zinc/62/49/43/1415624943.db2.gz JKCVQYVFCJVWLI-LBPRGKRZSA-N -1 3 398.525 3.243 20 0 GGADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3nc(C4CC4)n[n-]3)cs2)cc1 ZINC000127143954 1415670365 /nfs/dbraw/zinc/67/03/65/1415670365.db2.gz WJSBQNAPBPHPLV-UHFFFAOYSA-N -1 3 390.490 3.178 20 0 GGADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3nnc(C4CC4)[n-]3)cs2)cc1 ZINC000127143954 1415670373 /nfs/dbraw/zinc/67/03/73/1415670373.db2.gz WJSBQNAPBPHPLV-UHFFFAOYSA-N -1 3 390.490 3.178 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1OC ZINC000127202351 1415685140 /nfs/dbraw/zinc/68/51/40/1415685140.db2.gz GSVZNZZRPGARIZ-UHFFFAOYSA-N -1 3 388.367 3.126 20 0 GGADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc2ccccc2o1 ZINC000178115387 1428988406 /nfs/dbraw/zinc/98/84/06/1428988406.db2.gz QGPZETFQYAZWHO-HNNXBMFYSA-N -1 3 378.428 3.227 20 0 GGADHM CC[C@H](C)C(=O)Nc1cccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000127470324 1415791648 /nfs/dbraw/zinc/79/16/48/1415791648.db2.gz LKOKWUPFIGUOGX-ITRAFESCSA-N -1 3 377.444 3.072 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000127570515 1415811598 /nfs/dbraw/zinc/81/15/98/1415811598.db2.gz LMBDRQOKWMZTCH-CQSZACIVSA-N -1 3 392.459 3.206 20 0 GGADHM CCC1(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000178155206 1429001970 /nfs/dbraw/zinc/00/19/70/1429001970.db2.gz ZNWAQGZRDZIWTG-UHFFFAOYSA-N -1 3 391.320 3.354 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)O[N-]C(=O)Cc1ccc(C)cc1 ZINC000178160356 1429002993 /nfs/dbraw/zinc/00/29/93/1429002993.db2.gz ZRABPJZTVQSSFT-CYBMUJFWSA-N -1 3 376.840 3.275 20 0 GGADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000178162551 1429003951 /nfs/dbraw/zinc/00/39/51/1429003951.db2.gz NLYPGZDKPHWSSP-ZDUSSCGKSA-N -1 3 378.375 3.214 20 0 GGADHM C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127765798 1415846482 /nfs/dbraw/zinc/84/64/82/1415846482.db2.gz KEKJVLSTCHSLOX-KRWDZBQOSA-N -1 3 392.499 3.260 20 0 GGADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000127775810 1415848342 /nfs/dbraw/zinc/84/83/42/1415848342.db2.gz NJTYHSMGEWEKEQ-LJQANCHMSA-N -1 3 389.879 3.380 20 0 GGADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCCc1cccs1 ZINC000178175448 1429007682 /nfs/dbraw/zinc/00/76/82/1429007682.db2.gz IAOOOHGTTLABRG-HNNXBMFYSA-N -1 3 382.485 3.239 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C)cc2C[C@H]1C ZINC000127822102 1415857124 /nfs/dbraw/zinc/85/71/24/1415857124.db2.gz IFUUERBOFJZRGM-CQSZACIVSA-N -1 3 387.505 3.159 20 0 GGADHM COc1ccc(-c2nc([N-]C(=O)c3cc(F)c(F)c(F)c3F)n[nH]2)c(OC)c1 ZINC000127848385 1415862575 /nfs/dbraw/zinc/86/25/75/1415862575.db2.gz GRQPBYKRRGZSEE-UHFFFAOYSA-N -1 3 396.300 3.298 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1F ZINC000178184659 1429011836 /nfs/dbraw/zinc/01/18/36/1429011836.db2.gz IAPQLYKDGXPWNI-UHFFFAOYSA-N -1 3 396.415 3.152 20 0 GGADHM COc1ccc(N(CCc2ccccc2)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000127907224 1415873882 /nfs/dbraw/zinc/87/38/82/1415873882.db2.gz XLNHUWADWDAFND-UHFFFAOYSA-N -1 3 391.471 3.214 20 0 GGADHM Cc1cccc2c1CCN2C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000127926724 1415877060 /nfs/dbraw/zinc/87/70/60/1415877060.db2.gz AABQRZFXOHSNTD-UHFFFAOYSA-N -1 3 388.489 3.113 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000128080038 1415907100 /nfs/dbraw/zinc/90/71/00/1415907100.db2.gz PYPUPHFTCYHUQV-MSOLQXFVSA-N -1 3 384.863 3.134 20 0 GGADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1n[n-]c(-c2ccco2)n1 ZINC000128093601 1415910931 /nfs/dbraw/zinc/91/09/31/1415910931.db2.gz NHOAFKOWQNMVFE-UHFFFAOYSA-N -1 3 384.783 3.339 20 0 GGADHM COCCCOc1cc(C)ccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000128191695 1415935361 /nfs/dbraw/zinc/93/53/61/1415935361.db2.gz OUYDORSIZCOHRA-UHFFFAOYSA-N -1 3 376.428 3.254 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000128211075 1415940259 /nfs/dbraw/zinc/94/02/59/1415940259.db2.gz YMMSFOTVNXMSKA-UHFFFAOYSA-N -1 3 378.425 3.005 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000128217185 1415942242 /nfs/dbraw/zinc/94/22/42/1415942242.db2.gz AWZMIUNZWNPBQV-INIZCTEOSA-N -1 3 380.375 3.330 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)c(F)cc1F ZINC000128237215 1415945584 /nfs/dbraw/zinc/94/55/84/1415945584.db2.gz UCXZXJUBLUTIEV-NSHDSACASA-N -1 3 379.388 3.363 20 0 GGADHM Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cccc([O-])c1F ZINC000128290365 1415955352 /nfs/dbraw/zinc/95/53/52/1415955352.db2.gz DHXBRZWAIAOZRS-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1n[nH]c2c1CCCC2 ZINC000128321279 1415962236 /nfs/dbraw/zinc/96/22/36/1415962236.db2.gz AXCQZTXRYNUWOU-GFCCVEGCSA-N -1 3 386.839 3.220 20 0 GGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cnn(C)c3)n2)cc1 ZINC000128555435 1416011889 /nfs/dbraw/zinc/01/18/89/1416011889.db2.gz TVZBTTOKDOUWHV-HNNXBMFYSA-N -1 3 379.445 3.067 20 0 GGADHM COc1ccc2cccc(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2c1 ZINC000128637813 1416031091 /nfs/dbraw/zinc/03/10/91/1416031091.db2.gz FQAVVDHBOXJQFM-UHFFFAOYSA-N -1 3 384.457 3.401 20 0 GGADHM O=C(Nc1ccc(Cl)cc1)c1nccnc1C(=O)Nc1cccc([O-])c1F ZINC000128679296 1416040481 /nfs/dbraw/zinc/04/04/81/1416040481.db2.gz RVNIETAABYZNNR-UHFFFAOYSA-N -1 3 386.770 3.479 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000178313340 1429050195 /nfs/dbraw/zinc/05/01/95/1429050195.db2.gz YJRWFPAFGNUPFY-UHFFFAOYSA-N -1 3 376.478 3.413 20 0 GGADHM CN1C(=O)C[C@H](C(=O)Nc2cccc([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000128702677 1416047028 /nfs/dbraw/zinc/04/70/28/1416047028.db2.gz RPHNTLDUEHAOLT-DYZYQPBXSA-N -1 3 380.778 3.482 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000178329056 1429052754 /nfs/dbraw/zinc/05/27/54/1429052754.db2.gz AESIWDKWMIQTEW-UHFFFAOYSA-N -1 3 398.843 3.222 20 0 GGADHM O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000128805131 1416072803 /nfs/dbraw/zinc/07/28/03/1416072803.db2.gz GWOTYMVZSROJBN-HNNXBMFYSA-N -1 3 386.423 3.178 20 0 GGADHM OC1(CN(Cc2ccccc2)Cc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000823696246 1429057081 /nfs/dbraw/zinc/05/70/81/1429057081.db2.gz BFBJYELDJYHPSQ-UHFFFAOYSA-N -1 3 381.455 3.313 20 0 GGADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cn(Cc2cccc(F)c2)nn1 ZINC000129104000 1416145966 /nfs/dbraw/zinc/14/59/66/1416145966.db2.gz SOVJWBFEZGNCHJ-UHFFFAOYSA-N -1 3 394.435 3.160 20 0 GGADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178399930 1429070076 /nfs/dbraw/zinc/07/00/76/1429070076.db2.gz ICTXIWAUEMFLCY-BXKDBHETSA-N -1 3 393.267 3.318 20 0 GGADHM O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000129181690 1416164715 /nfs/dbraw/zinc/16/47/15/1416164715.db2.gz LDTKTQNITKBFAK-UHFFFAOYSA-N -1 3 375.780 3.223 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000129194808 1416168477 /nfs/dbraw/zinc/16/84/77/1416168477.db2.gz ZLBQNNDBBHHKTK-NHYWBVRUSA-N -1 3 391.386 3.115 20 0 GGADHM CCOc1cc(Br)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000129202572 1416169530 /nfs/dbraw/zinc/16/95/30/1416169530.db2.gz OMMYKZCMFJWNAF-UHFFFAOYSA-N -1 3 388.221 3.337 20 0 GGADHM C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129233172 1416176069 /nfs/dbraw/zinc/17/60/69/1416176069.db2.gz PZSOVCHHMLKLOU-CYBMUJFWSA-N -1 3 392.452 3.347 20 0 GGADHM Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000129258380 1416181233 /nfs/dbraw/zinc/18/12/33/1416181233.db2.gz HAXPDLURBMKJMS-UHFFFAOYSA-N -1 3 396.468 3.219 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)(C)CO)cc1F ZINC000129349602 1416195005 /nfs/dbraw/zinc/19/50/05/1416195005.db2.gz MUFLONLOYOQHLN-HNNXBMFYSA-N -1 3 383.460 3.354 20 0 GGADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000129413122 1416205627 /nfs/dbraw/zinc/20/56/27/1416205627.db2.gz YCBMPBHIZPHYMQ-UHFFFAOYSA-N -1 3 398.843 3.222 20 0 GGADHM NC(=O)NCCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129492777 1416218516 /nfs/dbraw/zinc/21/85/16/1416218516.db2.gz FSRQGXFAPXEFCB-UHFFFAOYSA-N -1 3 384.461 3.446 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000129505055 1416219729 /nfs/dbraw/zinc/21/97/29/1416219729.db2.gz SDLMRDKNONNUNU-VQIMIIECSA-N -1 3 376.403 3.468 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000129504815 1416219838 /nfs/dbraw/zinc/21/98/38/1416219838.db2.gz SDLMRDKNONNUNU-LPHOPBHVSA-N -1 3 376.403 3.468 20 0 GGADHM Cn1nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)ccc1=O ZINC000129507954 1416220100 /nfs/dbraw/zinc/22/01/00/1416220100.db2.gz KNCYWXAGGMTCII-UHFFFAOYSA-N -1 3 378.413 3.015 20 0 GGADHM NC(=O)c1c[nH]c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000129506821 1416220289 /nfs/dbraw/zinc/22/02/89/1416220289.db2.gz QVPGNMPUTKQALR-UHFFFAOYSA-N -1 3 378.413 3.348 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000129707274 1416251752 /nfs/dbraw/zinc/25/17/52/1416251752.db2.gz FWCABFLYGKTDFZ-ZDUSSCGKSA-N -1 3 394.349 3.376 20 0 GGADHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc(Cl)c(F)c2)C1=O ZINC000129952650 1416290366 /nfs/dbraw/zinc/29/03/66/1416290366.db2.gz IFSRALHXFSWPDG-IBGZPJMESA-N -1 3 389.814 3.067 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)c(=O)[n-]1 ZINC000129992824 1416298353 /nfs/dbraw/zinc/29/83/53/1416298353.db2.gz YUROPTKBVKZDGV-QFIPXVFZSA-N -1 3 387.483 3.298 20 0 GGADHM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000129994338 1416298461 /nfs/dbraw/zinc/29/84/61/1416298461.db2.gz JFFWVWJIXLEBHG-OAHLLOKOSA-N -1 3 391.353 3.128 20 0 GGADHM Cc1nc(C)c(CC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)c(=O)[n-]1 ZINC000129993026 1416298574 /nfs/dbraw/zinc/29/85/74/1416298574.db2.gz YUROPTKBVKZDGV-JOCHJYFZSA-N -1 3 387.483 3.298 20 0 GGADHM O=C([N-]NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(F)cc1Br ZINC000130144057 1416326396 /nfs/dbraw/zinc/32/63/96/1416326396.db2.gz ZHRYBJQIPLCXJB-UHFFFAOYSA-N -1 3 394.175 3.283 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2cc3ccccc3o2)ccc1F ZINC000130161624 1416330181 /nfs/dbraw/zinc/33/01/81/1416330181.db2.gz LGKWNPKVBBHOTB-UHFFFAOYSA-N -1 3 390.436 3.189 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)c2)cc1Cl ZINC000130323203 1416358102 /nfs/dbraw/zinc/35/81/02/1416358102.db2.gz QHUCJTCPHPGWIZ-INIZCTEOSA-N -1 3 394.818 3.495 20 0 GGADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C1CCC1 ZINC000130346509 1416362299 /nfs/dbraw/zinc/36/22/99/1416362299.db2.gz AXLSCQLGDCXVHT-VIFPVBQESA-N -1 3 391.320 3.353 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000178492189 1429089661 /nfs/dbraw/zinc/08/96/61/1429089661.db2.gz WQRPSHOMEJRZRT-UHFFFAOYSA-N -1 3 391.342 3.110 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2o1 ZINC000178499704 1429091046 /nfs/dbraw/zinc/09/10/46/1429091046.db2.gz QMBMCFSUUKAGIL-NSHDSACASA-N -1 3 377.393 3.398 20 0 GGADHM Cc1nccn1CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000130465733 1416382530 /nfs/dbraw/zinc/38/25/30/1416382530.db2.gz ZCDSLUAIKUBPLG-UHFFFAOYSA-N -1 3 398.488 3.411 20 0 GGADHM COc1ccccc1[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccn1 ZINC000130535983 1416395327 /nfs/dbraw/zinc/39/53/27/1416395327.db2.gz BFMMUDSNWKOXGI-TVADFSRQSA-N -1 3 385.423 3.080 20 0 GGADHM COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000130542451 1416396223 /nfs/dbraw/zinc/39/62/23/1416396223.db2.gz FFPKMYJHTOBMNO-UHFFFAOYSA-N -1 3 388.367 3.338 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000178507079 1429093620 /nfs/dbraw/zinc/09/36/20/1429093620.db2.gz YJLPYVWYLZPJCK-UHFFFAOYSA-N -1 3 397.424 3.445 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(=O)[n-]1 ZINC000130747860 1416441699 /nfs/dbraw/zinc/44/16/99/1416441699.db2.gz UPVHVXRYOMFFSW-OAHLLOKOSA-N -1 3 385.361 3.268 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)N2C[C@@H](C)c3ccccc32)cc1 ZINC000130757081 1416444070 /nfs/dbraw/zinc/44/40/70/1416444070.db2.gz BIICHLBHFMQNIX-OAHLLOKOSA-N -1 3 388.489 3.366 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000130916145 1416480336 /nfs/dbraw/zinc/48/03/36/1416480336.db2.gz XDJHHRYRTMUANO-UHFFFAOYSA-N -1 3 396.878 3.189 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000130917948 1416480956 /nfs/dbraw/zinc/48/09/56/1416480956.db2.gz DYVDGHBHRAJNHV-QWRGUYRKSA-N -1 3 381.398 3.256 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000130952909 1416486922 /nfs/dbraw/zinc/48/69/22/1416486922.db2.gz PDJYQCFJHXUHFI-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(N4CCCCCC4)nc3)nc21 ZINC000130978283 1416490749 /nfs/dbraw/zinc/49/07/49/1416490749.db2.gz FJESVYDVEAAXEY-UHFFFAOYSA-N -1 3 393.447 3.377 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000130986599 1416491821 /nfs/dbraw/zinc/49/18/21/1416491821.db2.gz DCESCJZXGCZMBT-INIZCTEOSA-N -1 3 392.459 3.270 20 0 GGADHM Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccc([O-])cc4)CC3)o2)cc1 ZINC000131045035 1416500470 /nfs/dbraw/zinc/50/04/70/1416500470.db2.gz HCUWMUNMMGWBSJ-MRXNPFEDSA-N -1 3 392.459 3.270 20 0 GGADHM CC(C)(C)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000131055228 1416502124 /nfs/dbraw/zinc/50/21/24/1416502124.db2.gz WGTGQVSCLFKJRK-UHFFFAOYSA-N -1 3 395.503 3.086 20 0 GGADHM COc1cccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1[O-] ZINC000131064851 1416503453 /nfs/dbraw/zinc/50/34/53/1416503453.db2.gz BQFXNEWPBLKHQQ-UHFFFAOYSA-N -1 3 382.338 3.254 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c(=O)[n-]1 ZINC000131071753 1416504792 /nfs/dbraw/zinc/50/47/92/1416504792.db2.gz UAOXJAKMBFIEIO-OAHLLOKOSA-N -1 3 389.883 3.043 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C(=O)NC(C)C)cc3)c2)n1 ZINC000131159942 1416517881 /nfs/dbraw/zinc/51/78/81/1416517881.db2.gz GSHJEMOWEFIJNO-UHFFFAOYSA-N -1 3 391.427 3.103 20 0 GGADHM CCc1cccc(Oc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cn2)c1 ZINC000131230390 1416526876 /nfs/dbraw/zinc/52/68/76/1416526876.db2.gz KRGJXECHPUUSSS-UHFFFAOYSA-N -1 3 378.432 3.318 20 0 GGADHM CN(CCC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000131292429 1416535764 /nfs/dbraw/zinc/53/57/64/1416535764.db2.gz PCXQTTLDDNUFNL-UHFFFAOYSA-N -1 3 376.453 3.499 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c(=O)[n-]1 ZINC000131310214 1416538198 /nfs/dbraw/zinc/53/81/98/1416538198.db2.gz SHOCGEABBNTFOM-UHFFFAOYSA-N -1 3 378.432 3.372 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000131421137 1416555230 /nfs/dbraw/zinc/55/52/30/1416555230.db2.gz YVQXVITZXKQQPA-YLJYHZDGSA-N -1 3 391.471 3.432 20 0 GGADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000131456792 1416560750 /nfs/dbraw/zinc/56/07/50/1416560750.db2.gz SSMIWNJTXAIRSX-UHFFFAOYSA-N -1 3 386.473 3.062 20 0 GGADHM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000131495417 1416566737 /nfs/dbraw/zinc/56/67/37/1416566737.db2.gz LRYNERULZBYXTF-UHFFFAOYSA-N -1 3 386.477 3.472 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)ccc1OC ZINC000131619310 1416585766 /nfs/dbraw/zinc/58/57/66/1416585766.db2.gz GLDQQUXDRRFNJS-UHFFFAOYSA-N -1 3 376.478 3.139 20 0 GGADHM Cc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cnn1-c1cc(C)ccc1C ZINC000131641977 1416589236 /nfs/dbraw/zinc/58/92/36/1416589236.db2.gz MBDFZVCNFQWCOB-UHFFFAOYSA-N -1 3 398.488 3.421 20 0 GGADHM Cc1cccc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c2ccccn2)c1 ZINC000131779714 1416619004 /nfs/dbraw/zinc/61/90/04/1416619004.db2.gz SFAJXYHVUARSDR-IBGZPJMESA-N -1 3 386.411 3.185 20 0 GGADHM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1c[n-]c2ccccc2c1=O ZINC000131877109 1416640012 /nfs/dbraw/zinc/64/00/12/1416640012.db2.gz MGSWSYSSXIZBSK-HNNXBMFYSA-N -1 3 377.227 3.298 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000132000967 1416671053 /nfs/dbraw/zinc/67/10/53/1416671053.db2.gz RMQBXAHWQVWFOJ-AWEZNQCLSA-N -1 3 394.493 3.252 20 0 GGADHM O=C(NC[C@H]1CCCS1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000132001160 1416671251 /nfs/dbraw/zinc/67/12/51/1416671251.db2.gz RMQBXAHWQVWFOJ-CQSZACIVSA-N -1 3 394.493 3.252 20 0 GGADHM CCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000132038673 1416680162 /nfs/dbraw/zinc/68/01/62/1416680162.db2.gz KCJZRSQBDCWWBZ-MOPGFXCFSA-N -1 3 389.540 3.296 20 0 GGADHM C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@H]1C ZINC000132115567 1416699443 /nfs/dbraw/zinc/69/94/43/1416699443.db2.gz QZLHZSILSHKNOW-QWHCGFSZSA-N -1 3 379.457 3.073 20 0 GGADHM C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@H]1C ZINC000132115392 1416699666 /nfs/dbraw/zinc/69/96/66/1416699666.db2.gz QZLHZSILSHKNOW-CHWSQXEVSA-N -1 3 379.457 3.073 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000132168193 1416710694 /nfs/dbraw/zinc/71/06/94/1416710694.db2.gz OZSFUFZIMFTELO-HXUWFJFHSA-N -1 3 381.863 3.488 20 0 GGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C)cc21 ZINC000132265482 1416726447 /nfs/dbraw/zinc/72/64/47/1416726447.db2.gz SMOODRYWAKMWIM-UHFFFAOYSA-N -1 3 387.505 3.161 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)[nH]n1 ZINC000132564490 1416785465 /nfs/dbraw/zinc/78/54/65/1416785465.db2.gz KUTOQLFFXZFFDV-UHFFFAOYSA-N -1 3 384.461 3.009 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC(C)(C)C ZINC000132639839 1416797806 /nfs/dbraw/zinc/79/78/06/1416797806.db2.gz SZENWOVZYVBMGD-INIZCTEOSA-N -1 3 378.494 3.021 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc3c(c1)C(=O)[N-]C3=O)CCC2 ZINC000132695752 1416804836 /nfs/dbraw/zinc/80/48/36/1416804836.db2.gz LZQRXRXZOZVBLT-AWEZNQCLSA-N -1 3 384.461 3.130 20 0 GGADHM CCC(CC)NC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2[O-])c2ccccc2O1 ZINC000132703949 1416806148 /nfs/dbraw/zinc/80/61/48/1416806148.db2.gz XRQXCPKHJAVSLJ-HXUWFJFHSA-N -1 3 382.460 3.413 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000132717637 1416807683 /nfs/dbraw/zinc/80/76/83/1416807683.db2.gz HJMQRPZXWPFWFN-UHFFFAOYSA-N -1 3 384.451 3.262 20 0 GGADHM CCCCCn1nc(C(=O)NCc2ccc([O-])c(F)c2)c2ccccc2c1=O ZINC000132727430 1416808713 /nfs/dbraw/zinc/80/87/13/1416808713.db2.gz IAHZWDADXJUCSA-UHFFFAOYSA-N -1 3 383.423 3.361 20 0 GGADHM O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCc1ccc([O-])c(F)c1 ZINC000132748317 1416810854 /nfs/dbraw/zinc/81/08/54/1416810854.db2.gz HBVDVHMLUUBIBQ-UHFFFAOYSA-N -1 3 386.404 3.242 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c(=O)[n-]1 ZINC000132776476 1416813561 /nfs/dbraw/zinc/81/35/61/1416813561.db2.gz FNFYBARNFHISQD-UHFFFAOYSA-N -1 3 390.443 3.129 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132809773 1416817858 /nfs/dbraw/zinc/81/78/58/1416817858.db2.gz MYBCKAGNUPYPBP-KRWDZBQOSA-N -1 3 388.439 3.284 20 0 GGADHM CCOc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000132864861 1416824863 /nfs/dbraw/zinc/82/48/63/1416824863.db2.gz XMNLPPYLHWNWGM-IBGZPJMESA-N -1 3 388.439 3.001 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000133003112 1416840731 /nfs/dbraw/zinc/84/07/31/1416840731.db2.gz FCJLVIFIBQNBHI-OAHLLOKOSA-N -1 3 390.842 3.353 20 0 GGADHM O=c1[n-]c(SCCc2ccc3c(c2)CCO3)nc2c1cnn2-c1ccccc1 ZINC000133006210 1416841221 /nfs/dbraw/zinc/84/12/21/1416841221.db2.gz RJZWTCBVZOCXKS-UHFFFAOYSA-N -1 3 390.468 3.379 20 0 GGADHM CC[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N(C)C ZINC000133054348 1416846598 /nfs/dbraw/zinc/84/65/98/1416846598.db2.gz OACFXDMMAJJMSL-QGZVFWFLSA-N -1 3 395.912 3.420 20 0 GGADHM CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N(C)C ZINC000133054129 1416846760 /nfs/dbraw/zinc/84/67/60/1416846760.db2.gz OACFXDMMAJJMSL-KRWDZBQOSA-N -1 3 395.912 3.420 20 0 GGADHM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([O-])c(F)c2)NC(=S)N1 ZINC000133085371 1416850290 /nfs/dbraw/zinc/85/02/90/1416850290.db2.gz DNIBHAYXPILMSX-INIZCTEOSA-N -1 3 375.400 3.102 20 0 GGADHM Cc1sc2ncn([N-]C(=O)c3ccc(F)cc3Br)c(=O)c2c1C ZINC000133189822 1416862590 /nfs/dbraw/zinc/86/25/90/1416862590.db2.gz HQRDWJVNBDCTEE-UHFFFAOYSA-N -1 3 396.241 3.360 20 0 GGADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000133229428 1416867515 /nfs/dbraw/zinc/86/75/15/1416867515.db2.gz TVGWDMJNVUTXIK-UHFFFAOYSA-N -1 3 387.798 3.216 20 0 GGADHM Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133230635 1416867550 /nfs/dbraw/zinc/86/75/50/1416867550.db2.gz RLHIXBLCKUFGEP-ZDUSSCGKSA-N -1 3 376.453 3.216 20 0 GGADHM Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133230854 1416867561 /nfs/dbraw/zinc/86/75/61/1416867561.db2.gz RLHIXBLCKUFGEP-CYBMUJFWSA-N -1 3 376.453 3.216 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000133279844 1416873855 /nfs/dbraw/zinc/87/38/55/1416873855.db2.gz IKSZSJVIMFHJFB-HUUCEWRRSA-N -1 3 388.489 3.304 20 0 GGADHM Cc1nc(C)c(CC(=O)OCc2nc(-c3c(F)cccc3F)cs2)c(=O)[n-]1 ZINC000133473082 1416893086 /nfs/dbraw/zinc/89/30/86/1416893086.db2.gz FYPZPLVQGVJXAB-UHFFFAOYSA-N -1 3 391.399 3.074 20 0 GGADHM CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000133487254 1416894709 /nfs/dbraw/zinc/89/47/09/1416894709.db2.gz CGEWAWLAMMXDQU-INIZCTEOSA-N -1 3 390.505 3.259 20 0 GGADHM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000178671692 1429134913 /nfs/dbraw/zinc/13/49/13/1429134913.db2.gz YSJOGQJMBJCGAX-ZDUSSCGKSA-N -1 3 376.261 3.014 20 0 GGADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000133537038 1416899388 /nfs/dbraw/zinc/89/93/88/1416899388.db2.gz GKMNFTZAZOXFOD-UHFFFAOYSA-N -1 3 383.416 3.056 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc(COCc3ccccc3)cc2)c(=O)[n-]1 ZINC000133786676 1416963579 /nfs/dbraw/zinc/96/35/79/1416963579.db2.gz ALPJHSUUULOMPU-UHFFFAOYSA-N -1 3 377.444 3.285 20 0 GGADHM CC(=O)c1csc([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC000133844042 1416975583 /nfs/dbraw/zinc/97/55/83/1416975583.db2.gz QMRIUSXQGCPQJI-UHFFFAOYSA-N -1 3 399.329 3.337 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc(OC)c1[O-] ZINC000134061939 1417016633 /nfs/dbraw/zinc/01/66/33/1417016633.db2.gz LZMLOOBMDZYEKQ-CQSZACIVSA-N -1 3 376.840 3.072 20 0 GGADHM Cc1cccc([C@@H](CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)NC(N)=O)c1 ZINC000134097431 1417021876 /nfs/dbraw/zinc/02/18/76/1417021876.db2.gz FXQGHYDZJDNJKY-CQSZACIVSA-N -1 3 381.354 3.458 20 0 GGADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000134099501 1417022557 /nfs/dbraw/zinc/02/25/57/1417022557.db2.gz LBJIISAKLHMSLK-UHFFFAOYSA-N -1 3 394.468 3.128 20 0 GGADHM Cn1c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2nc1C(C)(C)C ZINC000134223209 1417040147 /nfs/dbraw/zinc/04/01/47/1417040147.db2.gz VWRZYIBROAANTQ-UHFFFAOYSA-N -1 3 391.431 3.398 20 0 GGADHM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000134221732 1417040367 /nfs/dbraw/zinc/04/03/67/1417040367.db2.gz RULISSTWFVWPGY-LBPRGKRZSA-N -1 3 387.402 3.427 20 0 GGADHM CSCC[C@@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000134362752 1417061147 /nfs/dbraw/zinc/06/11/47/1417061147.db2.gz UQRFQRIAZDBSET-GFCCVEGCSA-N -1 3 390.546 3.116 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000134387979 1417063815 /nfs/dbraw/zinc/06/38/15/1417063815.db2.gz QTDJNRBPFVWQOS-ZDUSSCGKSA-N -1 3 391.830 3.152 20 0 GGADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1 ZINC000134455855 1417070519 /nfs/dbraw/zinc/07/05/19/1417070519.db2.gz HOCPHNRRRZEVGD-LLVKDONJSA-N -1 3 394.880 3.447 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C3CC3)cc2)cc1 ZINC000134463843 1417072476 /nfs/dbraw/zinc/07/24/76/1417072476.db2.gz WHHRXRHQJBAPFT-UHFFFAOYSA-N -1 3 388.489 3.397 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C1CC1 ZINC000134687438 1417112436 /nfs/dbraw/zinc/11/24/36/1417112436.db2.gz JYFMYQOYNRRYHG-OAHLLOKOSA-N -1 3 396.491 3.035 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000134710158 1417115540 /nfs/dbraw/zinc/11/55/40/1417115540.db2.gz KPQRGYDQAMCYRT-KRWDZBQOSA-N -1 3 379.453 3.328 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000823673123 1429160779 /nfs/dbraw/zinc/16/07/79/1429160779.db2.gz IPIZRGVERHBSPB-IBGZPJMESA-N -1 3 393.422 3.335 20 0 GGADHM O[C@@H](CN(Cc1ccccc1)Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000823673123 1429160785 /nfs/dbraw/zinc/16/07/85/1429160785.db2.gz IPIZRGVERHBSPB-IBGZPJMESA-N -1 3 393.422 3.335 20 0 GGADHM CCc1cccc(C(=O)N2CCC(Nc3cccc(C(=O)OC)c3)CC2)c1[O-] ZINC000135023692 1417163798 /nfs/dbraw/zinc/16/37/98/1417163798.db2.gz YZDCNNHQMKUNLH-UHFFFAOYSA-N -1 3 382.460 3.458 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc(OC)c1[O-] ZINC000135258569 1417198728 /nfs/dbraw/zinc/19/87/28/1417198728.db2.gz WFURCQTVNBDNPV-GFCCVEGCSA-N -1 3 394.830 3.211 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1F ZINC000135510981 1417231258 /nfs/dbraw/zinc/23/12/58/1417231258.db2.gz KCLJRDUXSYBRLD-UHFFFAOYSA-N -1 3 399.350 3.227 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1C ZINC000135518509 1417232528 /nfs/dbraw/zinc/23/25/28/1417232528.db2.gz LGXSGVMQHUZDIQ-UHFFFAOYSA-N -1 3 395.387 3.396 20 0 GGADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178781956 1429169095 /nfs/dbraw/zinc/16/90/95/1429169095.db2.gz BUFKHRNCBGFXFV-BDAKNGLRSA-N -1 3 381.306 3.240 20 0 GGADHM Cc1c[nH]c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)n1 ZINC000135680621 1417257244 /nfs/dbraw/zinc/25/72/44/1417257244.db2.gz VDLVFAWBTASKJU-UHFFFAOYSA-N -1 3 384.461 3.388 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCO[C@@](C)(CC)C3)nc(=O)c2c1C ZINC000135694732 1417259243 /nfs/dbraw/zinc/25/92/43/1417259243.db2.gz JEIWCBGPFCZDGY-BUXKBTBVSA-N -1 3 393.509 3.032 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000135791032 1417268937 /nfs/dbraw/zinc/26/89/37/1417268937.db2.gz DYIMDVNNNSZOAZ-ZDUSSCGKSA-N -1 3 375.432 3.345 20 0 GGADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000135790994 1417269266 /nfs/dbraw/zinc/26/92/66/1417269266.db2.gz DYIMDVNNNSZOAZ-CYBMUJFWSA-N -1 3 375.432 3.345 20 0 GGADHM CCN(CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000135932958 1417279174 /nfs/dbraw/zinc/27/91/74/1417279174.db2.gz RSDZBBQWWJSYLT-UHFFFAOYSA-N -1 3 387.505 3.219 20 0 GGADHM O=C(c1cncc(-c2ccccc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000136130993 1417294056 /nfs/dbraw/zinc/29/40/56/1417294056.db2.gz IBXXDEJCSWOMDR-UHFFFAOYSA-N -1 3 387.439 3.052 20 0 GGADHM CCc1cc2c(CN(C)Cc3ccc([S@@](C)=O)cc3)cc(=O)oc2cc1[O-] ZINC000178800649 1429174371 /nfs/dbraw/zinc/17/43/71/1429174371.db2.gz GACHUVBDUVWWQY-HHHXNRCGSA-N -1 3 385.485 3.430 20 0 GGADHM COc1ccc(-c2nnc([N-]C(=O)c3c(C)nn4c3nc(C)cc4C)s2)cc1 ZINC000136385017 1417312930 /nfs/dbraw/zinc/31/29/30/1417312930.db2.gz LCGXOJCJXLEFDC-UHFFFAOYSA-N -1 3 394.460 3.434 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000136452571 1417317775 /nfs/dbraw/zinc/31/77/75/1417317775.db2.gz XCDXIJNDINRPSN-ZDUSSCGKSA-N -1 3 376.428 3.227 20 0 GGADHM CC(=O)N(Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)C1CC1 ZINC000136983775 1417360407 /nfs/dbraw/zinc/36/04/07/1417360407.db2.gz YDVQFGYGBWGGPO-UHFFFAOYSA-N -1 3 375.428 3.291 20 0 GGADHM CCC[C@@H]1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000137048452 1417364993 /nfs/dbraw/zinc/36/49/93/1417364993.db2.gz UDYHBHXSLYZFIU-GFCCVEGCSA-N -1 3 386.464 3.058 20 0 GGADHM COc1ccc(N(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000137781105 1417394687 /nfs/dbraw/zinc/39/46/87/1417394687.db2.gz DKGWMFWKOWFBLH-UHFFFAOYSA-N -1 3 398.850 3.008 20 0 GGADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 ZINC000138445240 1417416019 /nfs/dbraw/zinc/41/60/19/1417416019.db2.gz CCQFMGMBJYHBLM-UHFFFAOYSA-N -1 3 387.461 3.158 20 0 GGADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000139284966 1417455188 /nfs/dbraw/zinc/45/51/88/1417455188.db2.gz XYZYLDCKRLVJBU-UHFFFAOYSA-N -1 3 388.489 3.495 20 0 GGADHM CCN(CC)Cc1nc(C2([N-]S(=O)(=O)c3ccc(C)s3)CCCC2)no1 ZINC000139440255 1417460070 /nfs/dbraw/zinc/46/00/70/1417460070.db2.gz WEEKOOKCTJXKFT-UHFFFAOYSA-N -1 3 398.554 3.029 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3n[nH]c4ccccc34)nc(=O)c2c1C ZINC000140277746 1417496260 /nfs/dbraw/zinc/49/62/60/1417496260.db2.gz XKMQHFYZOVJCKQ-JTQLQIEISA-N -1 3 382.445 3.325 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3cccc(C)n3)nc(=O)c2c1C ZINC000140283306 1417496439 /nfs/dbraw/zinc/49/64/39/1417496439.db2.gz LRQMUIPWJDBVPF-CQSZACIVSA-N -1 3 398.488 3.120 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3cccc(C)n3)nc(=O)c2c1C ZINC000140283138 1417496680 /nfs/dbraw/zinc/49/66/80/1417496680.db2.gz LRQMUIPWJDBVPF-AWEZNQCLSA-N -1 3 398.488 3.120 20 0 GGADHM COc1ccc2cc(CN(C)C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)ccc2c1 ZINC000144821571 1417673343 /nfs/dbraw/zinc/67/33/43/1417673343.db2.gz KAILIQNHYUWJAN-UHFFFAOYSA-N -1 3 389.411 3.396 20 0 GGADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(NC4CC4)nc3)nc(=O)c2c1C ZINC000145748004 1417699926 /nfs/dbraw/zinc/69/99/26/1417699926.db2.gz LLHLNCYDQJXUEY-JTQLQIEISA-N -1 3 384.461 3.489 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NNc2ccccc2Cl)cc1OC ZINC000146213141 1417712213 /nfs/dbraw/zinc/71/22/13/1417712213.db2.gz WINMFOAQCIPBCB-UHFFFAOYSA-N -1 3 398.872 3.259 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000146697595 1417728466 /nfs/dbraw/zinc/72/84/66/1417728466.db2.gz ZIXXXBOJJSFRIX-UHFFFAOYSA-N -1 3 383.429 3.498 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000146930769 1417735311 /nfs/dbraw/zinc/73/53/11/1417735311.db2.gz GGELTQIDVVJVIY-KRWDZBQOSA-N -1 3 395.371 3.041 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1cnc(Cl)c(Cl)c1 ZINC000147527795 1417748905 /nfs/dbraw/zinc/74/89/05/1417748905.db2.gz RFYMUCWBYNXIHO-UHFFFAOYSA-N -1 3 383.054 3.347 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(F)c(C)c2)cc1OC ZINC000147738267 1417753110 /nfs/dbraw/zinc/75/31/10/1417753110.db2.gz QNSULDAJASIECA-UHFFFAOYSA-N -1 3 395.456 3.226 20 0 GGADHM COC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000149140050 1417772883 /nfs/dbraw/zinc/77/28/83/1417772883.db2.gz LZYUQWUBHKXUOW-HNNXBMFYSA-N -1 3 390.505 3.117 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)C[C@H](C)c2nccs2)c1-c1nnn[n-]1 ZINC000826332373 1429215989 /nfs/dbraw/zinc/21/59/89/1429215989.db2.gz RVXCMYSRJPSYPC-ZDUSSCGKSA-N -1 3 394.508 3.053 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)C[C@H](C)c2nccs2)c1-c1nn[n-]n1 ZINC000826332373 1429215996 /nfs/dbraw/zinc/21/59/96/1429215996.db2.gz RVXCMYSRJPSYPC-ZDUSSCGKSA-N -1 3 394.508 3.053 20 0 GGADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000150792938 1417807748 /nfs/dbraw/zinc/80/77/48/1417807748.db2.gz XQLFCELNYZQQTI-UHFFFAOYSA-N -1 3 398.488 3.333 20 0 GGADHM CN(C(=O)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1)c1ccccc1 ZINC000150847372 1417819682 /nfs/dbraw/zinc/81/96/82/1417819682.db2.gz BVYMNRPAQWVOJK-LJQANCHMSA-N -1 3 388.489 3.274 20 0 GGADHM O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000150847820 1417819726 /nfs/dbraw/zinc/81/97/26/1417819726.db2.gz VXYWYXJKNSVSOF-GOSISDBHSA-N -1 3 392.452 3.389 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150851066 1417820498 /nfs/dbraw/zinc/82/04/98/1417820498.db2.gz JIJWCEYWZUSVLZ-QAPCUYQASA-N -1 3 394.537 3.178 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150851094 1417820571 /nfs/dbraw/zinc/82/05/71/1417820571.db2.gz JIJWCEYWZUSVLZ-CRAIPNDOSA-N -1 3 394.537 3.178 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCCC3)CC2)ccc1F ZINC000150898241 1417830429 /nfs/dbraw/zinc/83/04/29/1417830429.db2.gz AFFQKIFSCZTXTD-UHFFFAOYSA-N -1 3 382.501 3.309 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC2(CCCC2)CC1 ZINC000150930885 1417838225 /nfs/dbraw/zinc/83/82/25/1417838225.db2.gz GTWAMMQLKHOZFN-UHFFFAOYSA-N -1 3 380.485 3.063 20 0 GGADHM CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000151045702 1417861384 /nfs/dbraw/zinc/86/13/84/1417861384.db2.gz JKHXFEKCOLSDHI-LJQANCHMSA-N -1 3 394.475 3.063 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)N(C)C ZINC000151082309 1417869051 /nfs/dbraw/zinc/86/90/51/1417869051.db2.gz UCAJFWGPONURGO-SFHVURJKSA-N -1 3 375.494 3.075 20 0 GGADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178905470 1429216463 /nfs/dbraw/zinc/21/64/63/1429216463.db2.gz PGHFXDVARIUTEY-MRVPVSSYSA-N -1 3 379.290 3.390 20 0 GGADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178905456 1429216578 /nfs/dbraw/zinc/21/65/78/1429216578.db2.gz PGHFXDVARIUTEY-QMMMGPOBSA-N -1 3 379.290 3.390 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(N3CCCC3)n2Cc2ccco2)n1 ZINC000151375724 1417941265 /nfs/dbraw/zinc/94/12/65/1417941265.db2.gz FDKSNRAGIRNKSS-CYBMUJFWSA-N -1 3 386.481 3.177 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000151388695 1417945442 /nfs/dbraw/zinc/94/54/42/1417945442.db2.gz KCOUZIHSMDYCKW-LJQANCHMSA-N -1 3 384.476 3.252 20 0 GGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[N-]C(=O)CCOc1ccccc1 ZINC000151550881 1418022099 /nfs/dbraw/zinc/02/20/99/1418022099.db2.gz JHTUAMSQSFNPRR-AWEZNQCLSA-N -1 3 392.402 3.001 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1ncc(-c2ccccc2)o1 ZINC000151574202 1418029231 /nfs/dbraw/zinc/02/92/31/1418029231.db2.gz RHSFZKJVAUMKTK-CYBMUJFWSA-N -1 3 386.429 3.152 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151600389 1418036449 /nfs/dbraw/zinc/03/64/49/1418036449.db2.gz WMKRGXYKPYUWPN-CYBMUJFWSA-N -1 3 399.285 3.170 20 0 GGADHM CN(Cc1cc(Br)cn1C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000151603774 1418037945 /nfs/dbraw/zinc/03/79/45/1418037945.db2.gz VGJOWCSOBZXUAG-UHFFFAOYSA-N -1 3 377.238 3.232 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(Cl)nc1Cl ZINC000178971176 1429231382 /nfs/dbraw/zinc/23/13/82/1429231382.db2.gz PKUWLFKTMXAEBL-WQAKAFBOSA-N -1 3 377.293 3.014 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(Cl)nc1Cl ZINC000178971157 1429231420 /nfs/dbraw/zinc/23/14/20/1429231420.db2.gz PKUWLFKTMXAEBL-BIMULSAOSA-N -1 3 377.293 3.014 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000178975886 1429232596 /nfs/dbraw/zinc/23/25/96/1429232596.db2.gz FZBUPQWOXNGCIJ-MRXNPFEDSA-N -1 3 389.320 3.353 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C=C3CCC3)c2)cc1 ZINC000151803299 1418090347 /nfs/dbraw/zinc/09/03/47/1418090347.db2.gz UIDPGCCZDBQFGG-UHFFFAOYSA-N -1 3 386.473 3.223 20 0 GGADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000152143863 1418156876 /nfs/dbraw/zinc/15/68/76/1418156876.db2.gz XWKBRRMIYNGMCT-GOSISDBHSA-N -1 3 375.490 3.059 20 0 GGADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179050240 1429250479 /nfs/dbraw/zinc/25/04/79/1429250479.db2.gz LXQVHCDQBAGFKV-UHFFFAOYSA-N -1 3 386.864 3.054 20 0 GGADHM O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179052676 1429250860 /nfs/dbraw/zinc/25/08/60/1429250860.db2.gz QRYBCVFCZIQSHS-UHFFFAOYSA-N -1 3 395.846 3.201 20 0 GGADHM O=C(c1ccccc1OCc1ccccc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000179066331 1429254208 /nfs/dbraw/zinc/25/42/08/1429254208.db2.gz VVQAUOBXRPQXOH-UHFFFAOYSA-N -1 3 395.846 3.201 20 0 GGADHM O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179093646 1429260546 /nfs/dbraw/zinc/26/05/46/1429260546.db2.gz FXXYSOFEQFKPKX-UHFFFAOYSA-N -1 3 398.422 3.290 20 0 GGADHM O=C(c1cccnc1SCC1CCCCC1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179095667 1429261446 /nfs/dbraw/zinc/26/14/46/1429261446.db2.gz OAUGOQFNFLDCRN-UHFFFAOYSA-N -1 3 384.505 3.036 20 0 GGADHM C/C(=C\c1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179134083 1429273194 /nfs/dbraw/zinc/27/31/94/1429273194.db2.gz JJGVTYCSWVPXDT-FYWRMAATSA-N -1 3 384.863 3.434 20 0 GGADHM CCc1ccc([C@H]2CCCN2CCC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000736682873 1429280628 /nfs/dbraw/zinc/28/06/28/1429280628.db2.gz BPFXSCLIJTWKGR-CQSZACIVSA-N -1 3 386.481 3.249 20 0 GGADHM CCc1ccc([C@H]2CCCN2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000736682873 1429280633 /nfs/dbraw/zinc/28/06/33/1429280633.db2.gz BPFXSCLIJTWKGR-CQSZACIVSA-N -1 3 386.481 3.249 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(Cl)nc1Cl ZINC000179307555 1429323575 /nfs/dbraw/zinc/32/35/75/1429323575.db2.gz QBTIIXLAGLXAHZ-SNVBAGLBSA-N -1 3 399.658 3.193 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@@H]1C ZINC000179310184 1429323893 /nfs/dbraw/zinc/32/38/93/1429323893.db2.gz VICGGHQFGXOOGS-SGTLLEGYSA-N -1 3 377.437 3.214 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2CCC(C)C)c(-c2nn[n-]n2)c1C ZINC000822558008 1429344202 /nfs/dbraw/zinc/34/42/02/1429344202.db2.gz LKONGYCRXZREHY-CQSZACIVSA-N -1 3 376.530 3.384 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2CCC(C)C)c(-c2nnn[n-]2)c1C ZINC000822558008 1429344205 /nfs/dbraw/zinc/34/42/05/1429344205.db2.gz LKONGYCRXZREHY-CQSZACIVSA-N -1 3 376.530 3.384 20 0 GGADHM Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)s1 ZINC000826261918 1429347245 /nfs/dbraw/zinc/34/72/45/1429347245.db2.gz XZMHVGMOLHZKOB-FZKQIMNGSA-N -1 3 396.520 3.391 20 0 GGADHM Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)s1 ZINC000826261918 1429347248 /nfs/dbraw/zinc/34/72/48/1429347248.db2.gz XZMHVGMOLHZKOB-FZKQIMNGSA-N -1 3 396.520 3.391 20 0 GGADHM O[C@H](CNC1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503118 1429358673 /nfs/dbraw/zinc/35/86/73/1429358673.db2.gz QYCPEYBPVTVXRG-GOSISDBHSA-N -1 3 385.418 3.237 20 0 GGADHM O[C@H](CNC1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503118 1429358680 /nfs/dbraw/zinc/35/86/80/1429358680.db2.gz QYCPEYBPVTVXRG-GOSISDBHSA-N -1 3 385.418 3.237 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)c(F)c2)c1 ZINC000179401055 1429359822 /nfs/dbraw/zinc/35/98/22/1429359822.db2.gz WCKVJXUKNZBHNO-UHFFFAOYSA-N -1 3 383.379 3.318 20 0 GGADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1CCO[C@H]1CCCCO1 ZINC000179458516 1429383870 /nfs/dbraw/zinc/38/38/70/1429383870.db2.gz IAIOPUXRKQPDTL-KRWDZBQOSA-N -1 3 379.844 3.346 20 0 GGADHM CC(C)[C@@H](NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824555957 1429420217 /nfs/dbraw/zinc/42/02/17/1429420217.db2.gz YWBYWZKBOPNAAU-FOIQADDNSA-N -1 3 378.480 3.031 20 0 GGADHM CC(C)[C@@H](NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824555957 1429420222 /nfs/dbraw/zinc/42/02/22/1429420222.db2.gz YWBYWZKBOPNAAU-FOIQADDNSA-N -1 3 378.480 3.031 20 0 GGADHM COc1cc(C)ccc1OC1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853385 1429433927 /nfs/dbraw/zinc/43/39/27/1429433927.db2.gz OQWDSTRSJRBTCR-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM COc1cc(C)ccc1OC1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139853385 1429433931 /nfs/dbraw/zinc/43/39/31/1429433931.db2.gz OQWDSTRSJRBTCR-UHFFFAOYSA-N -1 3 379.464 3.227 20 0 GGADHM Cc1ccc(O)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000179602195 1429466049 /nfs/dbraw/zinc/46/60/49/1429466049.db2.gz QBWRUOVCSSNNKV-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM COc1ccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000826202490 1429477586 /nfs/dbraw/zinc/47/75/86/1429477586.db2.gz BPGJXPJNDXVPBU-UHFFFAOYSA-N -1 3 395.463 3.120 20 0 GGADHM COc1ccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000826202490 1429477590 /nfs/dbraw/zinc/47/75/90/1429477590.db2.gz BPGJXPJNDXVPBU-UHFFFAOYSA-N -1 3 395.463 3.120 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000179628696 1429478581 /nfs/dbraw/zinc/47/85/81/1429478581.db2.gz JKPVFLACHUYVDN-IIBYNOLFSA-N -1 3 393.487 3.183 20 0 GGADHM C[C@H](NCCNc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824599426 1429482071 /nfs/dbraw/zinc/48/20/71/1429482071.db2.gz ONRFKEKQRNWGFS-ZDUSSCGKSA-N -1 3 377.427 3.317 20 0 GGADHM C[C@H](NCCNc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824599426 1429482074 /nfs/dbraw/zinc/48/20/74/1429482074.db2.gz ONRFKEKQRNWGFS-ZDUSSCGKSA-N -1 3 377.427 3.317 20 0 GGADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1Cl ZINC000179640641 1429485534 /nfs/dbraw/zinc/48/55/34/1429485534.db2.gz UDQMYDHPEMBZLX-UHFFFAOYSA-N -1 3 389.260 3.202 20 0 GGADHM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000179651000 1429489988 /nfs/dbraw/zinc/48/99/88/1429489988.db2.gz WHRLRTABASKHNP-OAHLLOKOSA-N -1 3 376.453 3.330 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000737201432 1429518447 /nfs/dbraw/zinc/51/84/47/1429518447.db2.gz FAXAFUWMCYUMRG-STQMWFEESA-N -1 3 385.516 3.069 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000737201432 1429518452 /nfs/dbraw/zinc/51/84/52/1429518452.db2.gz FAXAFUWMCYUMRG-STQMWFEESA-N -1 3 385.516 3.069 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000152308085 1422068694 /nfs/dbraw/zinc/06/86/94/1422068694.db2.gz AQFUNEOSDSDEOB-LLVKDONJSA-N -1 3 399.790 3.053 20 0 GGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000179728840 1429525752 /nfs/dbraw/zinc/52/57/52/1429525752.db2.gz NFDMDOOFKJLDSC-UHFFFAOYSA-N -1 3 388.489 3.397 20 0 GGADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000179728413 1429525865 /nfs/dbraw/zinc/52/58/65/1429525865.db2.gz CWZYGAKAANZRMF-UHFFFAOYSA-N -1 3 376.478 3.333 20 0 GGADHM COc1cc(CCC(=O)[N-]OCc2cccnc2)ccc1OCC(F)(F)F ZINC000152351858 1422080581 /nfs/dbraw/zinc/08/05/81/1422080581.db2.gz FNHFZWTYGSKIOO-UHFFFAOYSA-N -1 3 384.354 3.212 20 0 GGADHM O=S(=O)([N-]C[C@H]1CSCCS1)c1ccc(Cl)cc1C(F)(F)F ZINC000152659840 1422194756 /nfs/dbraw/zinc/19/47/56/1422194756.db2.gz FEZOWOVZLCAIBZ-VIFPVBQESA-N -1 3 391.889 3.486 20 0 GGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccc(Cn2ccccc2=O)o1 ZINC000152664805 1422196895 /nfs/dbraw/zinc/19/68/95/1422196895.db2.gz LBHYYYQVJCIDSR-VQHVLOKHSA-N -1 3 394.412 3.357 20 0 GGADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152668984 1422201288 /nfs/dbraw/zinc/20/12/88/1422201288.db2.gz VYQHDFWJTFHUCZ-HZPDHXFCSA-N -1 3 388.464 3.499 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1ccco1 ZINC000152717600 1422223369 /nfs/dbraw/zinc/22/33/69/1422223369.db2.gz BODZRIPSKUYBJF-IBGZPJMESA-N -1 3 389.477 3.209 20 0 GGADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000152745718 1422234414 /nfs/dbraw/zinc/23/44/14/1422234414.db2.gz TVMBRCSHZFBFHH-ZFWWWQNUSA-N -1 3 398.475 3.104 20 0 GGADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000152745605 1422234508 /nfs/dbraw/zinc/23/45/08/1422234508.db2.gz TVMBRCSHZFBFHH-DZGCQCFKSA-N -1 3 398.475 3.104 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c([O-])c1 ZINC000152782520 1422246239 /nfs/dbraw/zinc/24/62/39/1422246239.db2.gz JAXIUHUDELMUSA-UHFFFAOYSA-N -1 3 388.374 3.273 20 0 GGADHM O=C(Nc1cc(F)cc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000153033574 1422334531 /nfs/dbraw/zinc/33/45/31/1422334531.db2.gz OUWCKHBREFABQQ-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c(C)o1 ZINC000153063311 1422343765 /nfs/dbraw/zinc/34/37/65/1422343765.db2.gz OLNAJZOIEVWSFI-LLVKDONJSA-N -1 3 399.538 3.218 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c(C)o1 ZINC000153063413 1422343957 /nfs/dbraw/zinc/34/39/57/1422343957.db2.gz OLNAJZOIEVWSFI-NSHDSACASA-N -1 3 399.538 3.218 20 0 GGADHM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000153100885 1422356879 /nfs/dbraw/zinc/35/68/79/1422356879.db2.gz LQWWUCHZHYNKSN-ISBHARSQSA-N -1 3 382.460 3.129 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cccc(F)c1F ZINC000153150172 1422373091 /nfs/dbraw/zinc/37/30/91/1422373091.db2.gz HFPGZGGXJCEHSD-GFCCVEGCSA-N -1 3 398.413 3.229 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000153248937 1422417660 /nfs/dbraw/zinc/41/76/60/1422417660.db2.gz PUCHXHQCYRYOID-ZDUSSCGKSA-N -1 3 376.526 3.427 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)c[n-]c12 ZINC000153281651 1422437331 /nfs/dbraw/zinc/43/73/31/1422437331.db2.gz PFFYCHPIPUIPBA-INIZCTEOSA-N -1 3 382.391 3.396 20 0 GGADHM O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000153437971 1422537165 /nfs/dbraw/zinc/53/71/65/1422537165.db2.gz SBOJSTLXIUQXRM-UHFFFAOYSA-N -1 3 375.780 3.223 20 0 GGADHM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153473662 1422557416 /nfs/dbraw/zinc/55/74/16/1422557416.db2.gz UILABCBJXSOCBH-KRWDZBQOSA-N -1 3 389.814 3.352 20 0 GGADHM O=C(COc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000153474987 1422557521 /nfs/dbraw/zinc/55/75/21/1422557521.db2.gz MUFHTBUMKYYCFY-CQSZACIVSA-N -1 3 388.851 3.302 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000153483912 1422563314 /nfs/dbraw/zinc/56/33/14/1422563314.db2.gz BPETZNSJMYETQC-ZDUSSCGKSA-N -1 3 398.850 3.413 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000153584466 1422633984 /nfs/dbraw/zinc/63/39/84/1422633984.db2.gz QUDBSYSXDHDAIH-UHFFFAOYSA-N -1 3 394.880 3.473 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)[N-]OCC(C)C)C1 ZINC000153632968 1422661470 /nfs/dbraw/zinc/66/14/70/1422661470.db2.gz CEIIGSOLTQMCIF-CQSZACIVSA-N -1 3 397.313 3.314 20 0 GGADHM Cc1cc([C@H](N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262322 1429576812 /nfs/dbraw/zinc/57/68/12/1429576812.db2.gz LTJFLMRRWQVOGY-ORAYPTAESA-N -1 3 394.454 3.382 20 0 GGADHM Cc1cc([C@H](N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262322 1429576815 /nfs/dbraw/zinc/57/68/15/1429576815.db2.gz LTJFLMRRWQVOGY-ORAYPTAESA-N -1 3 394.454 3.382 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](NC(=O)OC(C)(C)C)C3CC3)nc2)n1 ZINC000153660223 1422684881 /nfs/dbraw/zinc/68/48/81/1422684881.db2.gz GDJYCSYLQUGXLK-MRXNPFEDSA-N -1 3 399.495 3.110 20 0 GGADHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153670832 1422695831 /nfs/dbraw/zinc/69/58/31/1422695831.db2.gz XTYAUGFNYLNLBY-MRXNPFEDSA-N -1 3 378.350 3.323 20 0 GGADHM COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000153674662 1422697319 /nfs/dbraw/zinc/69/73/19/1422697319.db2.gz SPYRXRZLYGCTHN-MRXNPFEDSA-N -1 3 396.365 3.106 20 0 GGADHM O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCC3)Nc1ccc(Cl)cc1[O-] ZINC000153683331 1422700428 /nfs/dbraw/zinc/70/04/28/1422700428.db2.gz SUUHCFJIZSEBSW-UHFFFAOYSA-N -1 3 389.864 3.404 20 0 GGADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCc1ccccc1F ZINC000153715948 1422718522 /nfs/dbraw/zinc/71/85/22/1422718522.db2.gz NWMLCLNQLYRBOU-OAHLLOKOSA-N -1 3 380.419 3.274 20 0 GGADHM C[C@@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569650 1429580477 /nfs/dbraw/zinc/58/04/77/1429580477.db2.gz JKGNCOWTIFUCAH-HWPZZCPQSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824569650 1429580482 /nfs/dbraw/zinc/58/04/82/1429580482.db2.gz JKGNCOWTIFUCAH-HWPZZCPQSA-N -1 3 395.360 3.409 20 0 GGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cccc(C(=O)N4CCCC4)n3)n2)s1 ZINC000153921837 1422811440 /nfs/dbraw/zinc/81/14/40/1422811440.db2.gz DEHPQAGAJYMSOB-UHFFFAOYSA-N -1 3 399.501 3.458 20 0 GGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)c2)cc1 ZINC000153924566 1422811806 /nfs/dbraw/zinc/81/18/06/1422811806.db2.gz ZVFHPZILASKJBO-UHFFFAOYSA-N -1 3 390.505 3.107 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000153953143 1422816440 /nfs/dbraw/zinc/81/64/40/1422816440.db2.gz MJBCLKKDMICZBF-UHFFFAOYSA-N -1 3 399.900 3.482 20 0 GGADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000153956558 1422816920 /nfs/dbraw/zinc/81/69/20/1422816920.db2.gz GPKCQKIQZYTPFM-UHFFFAOYSA-N -1 3 390.530 3.239 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1F ZINC000153957806 1422816980 /nfs/dbraw/zinc/81/69/80/1422816980.db2.gz YBGBCHGCOFLTRM-UHFFFAOYSA-N -1 3 396.509 3.184 20 0 GGADHM O=C(CSCC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000154020304 1422827018 /nfs/dbraw/zinc/82/70/18/1422827018.db2.gz YXBTYRDFAODSGY-CYBMUJFWSA-N -1 3 396.862 3.422 20 0 GGADHM CCc1onc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000154083482 1422837970 /nfs/dbraw/zinc/83/79/70/1422837970.db2.gz VDHUVHCQYRVIBP-UHFFFAOYSA-N -1 3 397.884 3.236 20 0 GGADHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000154399646 1422883746 /nfs/dbraw/zinc/88/37/46/1422883746.db2.gz JHOZHFXPXAAQCF-UHFFFAOYSA-N -1 3 379.803 3.221 20 0 GGADHM Cc1cc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)n(C(C)(C)C)n1 ZINC000154563369 1422932007 /nfs/dbraw/zinc/93/20/07/1422932007.db2.gz CNVVHLWAFLEBGD-UHFFFAOYSA-N -1 3 394.475 3.329 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2ncc(-c3ccccc3F)o2)cc1OC ZINC000154564009 1422933621 /nfs/dbraw/zinc/93/36/21/1422933621.db2.gz FUVOMKXTLMDXSC-UHFFFAOYSA-N -1 3 386.379 3.288 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC000179848114 1429608778 /nfs/dbraw/zinc/60/87/78/1429608778.db2.gz OIMZMLNCFKZDRJ-UHFFFAOYSA-N -1 3 393.234 3.043 20 0 GGADHM CCOC(=O)CC[C@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000154860636 1423057832 /nfs/dbraw/zinc/05/78/32/1423057832.db2.gz DHJFHTNWYXBFOP-CQSZACIVSA-N -1 3 375.498 3.015 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(F)cc3)n2)c1 ZINC000179851959 1429609652 /nfs/dbraw/zinc/60/96/52/1429609652.db2.gz BZNBLYFJIKHLGJ-GOSISDBHSA-N -1 3 392.390 3.290 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c(=O)[n-]1 ZINC000154947266 1423087970 /nfs/dbraw/zinc/08/79/70/1423087970.db2.gz PLMBSIJNJKJVDO-UHFFFAOYSA-N -1 3 394.431 3.112 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c(=O)[n-]1 ZINC000154995218 1423103492 /nfs/dbraw/zinc/10/34/92/1423103492.db2.gz UYCAVMNZFYRHSJ-FQEVSTJZSA-N -1 3 379.435 3.169 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2ccc3cc(Br)ccc3c2)c(=O)[n-]1 ZINC000155012088 1423113702 /nfs/dbraw/zinc/11/37/02/1423113702.db2.gz QXKZPKJEJWTGCF-UHFFFAOYSA-N -1 3 386.249 3.484 20 0 GGADHM CC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cc(F)ccc1F ZINC000155020167 1423120231 /nfs/dbraw/zinc/12/02/31/1423120231.db2.gz VRBMVDMBGUOXCK-GOSISDBHSA-N -1 3 398.413 3.229 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C(F)(F)F)nc3)c2)n1 ZINC000155057333 1423138807 /nfs/dbraw/zinc/13/88/07/1423138807.db2.gz GITDRXLVEGGERU-UHFFFAOYSA-N -1 3 389.337 3.060 20 0 GGADHM C[C@@H]1CSCCN1Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825012316 1423235042 /nfs/dbraw/zinc/23/50/42/1423235042.db2.gz GXQUMLQVZGRDIT-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM C[C@@H]1CSCCN1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825012316 1423235048 /nfs/dbraw/zinc/23/50/48/1423235048.db2.gz GXQUMLQVZGRDIT-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2cc(-c3ccccc3)no2)[n-]1 ZINC000155277847 1423295170 /nfs/dbraw/zinc/29/51/70/1423295170.db2.gz MVSPOIWYNKUYJJ-SANMLTNESA-N -1 3 383.351 3.305 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2coc(-c3ccccc3)n2)[n-]1 ZINC000155343403 1423325092 /nfs/dbraw/zinc/32/50/92/1423325092.db2.gz UFTLEBTZCUAHEA-SANMLTNESA-N -1 3 383.351 3.305 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2cc(-c3ccccc3)on2)[n-]1 ZINC000155343586 1423325805 /nfs/dbraw/zinc/32/58/05/1423325805.db2.gz YWXCCGJQQHSBBJ-SANMLTNESA-N -1 3 383.351 3.305 20 0 GGADHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000155350526 1423327901 /nfs/dbraw/zinc/32/79/01/1423327901.db2.gz SVZNLPDTOKPMAD-UHFFFAOYSA-N -1 3 389.761 3.258 20 0 GGADHM CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001139854500 1423384789 /nfs/dbraw/zinc/38/47/89/1423384789.db2.gz LTPVFULCDLSUBI-SFHVURJKSA-N -1 3 398.511 3.231 20 0 GGADHM CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001139854500 1423384794 /nfs/dbraw/zinc/38/47/94/1423384794.db2.gz LTPVFULCDLSUBI-SFHVURJKSA-N -1 3 398.511 3.231 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000826182441 1423461149 /nfs/dbraw/zinc/46/11/49/1423461149.db2.gz JTQOQFCSCFZARA-FQEVSTJZSA-N -1 3 393.491 3.099 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000826182441 1423461155 /nfs/dbraw/zinc/46/11/55/1423461155.db2.gz JTQOQFCSCFZARA-FQEVSTJZSA-N -1 3 393.491 3.099 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCc2cccc(-c3ccccc3)c2)c(=O)[n-]1 ZINC000155759005 1423521996 /nfs/dbraw/zinc/52/19/96/1423521996.db2.gz WCUIXXWHOYFEFW-UHFFFAOYSA-N -1 3 375.472 3.345 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822229677 1423534485 /nfs/dbraw/zinc/53/44/85/1423534485.db2.gz ZESPGMMZCBWHIR-BBRMVZONSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@H](C)N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822229677 1423534488 /nfs/dbraw/zinc/53/44/88/1423534488.db2.gz ZESPGMMZCBWHIR-BBRMVZONSA-N -1 3 382.493 3.001 20 0 GGADHM NC(=O)N1CCC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179936061 1429651049 /nfs/dbraw/zinc/65/10/49/1429651049.db2.gz OTAOZPZTKBUZLG-LBPRGKRZSA-N -1 3 396.472 3.398 20 0 GGADHM O=C(COc1ccccc1)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000155911832 1423591368 /nfs/dbraw/zinc/59/13/68/1423591368.db2.gz JBIFUCYLQVYPLY-AWEZNQCLSA-N -1 3 388.851 3.302 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC1(O)CCCCC1 ZINC000155919787 1423594380 /nfs/dbraw/zinc/59/43/80/1423594380.db2.gz YRALCNONTJWJJR-UHFFFAOYSA-N -1 3 394.415 3.101 20 0 GGADHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179946274 1429656000 /nfs/dbraw/zinc/65/60/00/1429656000.db2.gz CUEOXQHRIFFPIT-QWRGUYRKSA-N -1 3 399.987 3.298 20 0 GGADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179946258 1429656106 /nfs/dbraw/zinc/65/61/06/1429656106.db2.gz CUEOXQHRIFFPIT-MNOVXSKESA-N -1 3 399.987 3.298 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccn(CCc4ccncc4)n3)c[n-]c12 ZINC000155977687 1423617032 /nfs/dbraw/zinc/61/70/32/1423617032.db2.gz KMKTVYDSAGYTCE-UHFFFAOYSA-N -1 3 391.406 3.062 20 0 GGADHM COc1ccc(-c2nsc([N-]C(=O)c3cnc(C(F)(F)F)nc3)n2)cc1 ZINC000155992973 1423625297 /nfs/dbraw/zinc/62/52/97/1423625297.db2.gz XOTZTNXCIPBCRO-UHFFFAOYSA-N -1 3 381.339 3.275 20 0 GGADHM COc1cccc(Cc2nnc([N-]C(=O)c3cnc(C(F)(F)F)nc3)s2)c1 ZINC000156065169 1423657106 /nfs/dbraw/zinc/65/71/06/1423657106.db2.gz RLXZJBDPKBHLGH-UHFFFAOYSA-N -1 3 395.366 3.199 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547461 1423663081 /nfs/dbraw/zinc/66/30/81/1423663081.db2.gz OOXODIQPTFUAEQ-FZKQIMNGSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccc(Cl)c1 ZINC000824547461 1423663086 /nfs/dbraw/zinc/66/30/86/1423663086.db2.gz OOXODIQPTFUAEQ-FZKQIMNGSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CCCCC1 ZINC000179961468 1429664695 /nfs/dbraw/zinc/66/46/95/1429664695.db2.gz MDQDNHCTUUZGCP-SECBINFHSA-N -1 3 385.960 3.052 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000156191340 1423716528 /nfs/dbraw/zinc/71/65/28/1423716528.db2.gz SXSHCKCAEIGDEX-UHFFFAOYSA-N -1 3 376.478 3.265 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1F ZINC000156190939 1423716616 /nfs/dbraw/zinc/71/66/16/1423716616.db2.gz KATAROKAIKQWOA-UHFFFAOYSA-N -1 3 380.441 3.096 20 0 GGADHM O=C(N[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1)c1ccccc1 ZINC000156219881 1423732914 /nfs/dbraw/zinc/73/29/14/1423732914.db2.gz YHPSJCDZTSZKFW-HXUWFJFHSA-N -1 3 378.403 3.319 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000156223528 1423733488 /nfs/dbraw/zinc/73/34/88/1423733488.db2.gz QSRXIAOWQLZZTA-AWEZNQCLSA-N -1 3 389.402 3.231 20 0 GGADHM O=C(/C=C/c1ccc(I)o1)NCc1ccc([O-])c(F)c1 ZINC000156232114 1423736542 /nfs/dbraw/zinc/73/65/42/1423736542.db2.gz DIRVGALVNGNIPH-ZZXKWVIFSA-N -1 3 387.148 3.059 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CCC1 ZINC000179970979 1429668541 /nfs/dbraw/zinc/66/85/41/1429668541.db2.gz MWRKQEHLLQVDKJ-NSHDSACASA-N -1 3 399.987 3.442 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736698440 1423764469 /nfs/dbraw/zinc/76/44/69/1423764469.db2.gz FHWBQOFTPQHABU-CYBMUJFWSA-N -1 3 399.524 3.216 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736698440 1423764470 /nfs/dbraw/zinc/76/44/70/1423764470.db2.gz FHWBQOFTPQHABU-CYBMUJFWSA-N -1 3 399.524 3.216 20 0 GGADHM c1cncc(-c2cccc(CN(Cc3ccnc(-c4nnn[n-]4)c3)C3CC3)c2)c1 ZINC000826525314 1423793252 /nfs/dbraw/zinc/79/32/52/1423793252.db2.gz FHZAMNIIIFNFDS-UHFFFAOYSA-N -1 3 383.459 3.488 20 0 GGADHM c1cncc(-c2cccc(CN(Cc3ccnc(-c4nn[n-]n4)c3)C3CC3)c2)c1 ZINC000826525314 1423793255 /nfs/dbraw/zinc/79/32/55/1423793255.db2.gz FHZAMNIIIFNFDS-UHFFFAOYSA-N -1 3 383.459 3.488 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(F)c3)CC2)ccc1F ZINC000156585763 1423832630 /nfs/dbraw/zinc/83/26/30/1423832630.db2.gz PXRRRADMMGZUIA-UHFFFAOYSA-N -1 3 394.443 3.071 20 0 GGADHM Cc1noc(-c2ccc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)n1 ZINC000156598361 1423834249 /nfs/dbraw/zinc/83/42/49/1423834249.db2.gz HJLJJPNRYUWKGB-UHFFFAOYSA-N -1 3 388.383 3.323 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Cl ZINC000156743023 1423857780 /nfs/dbraw/zinc/85/77/80/1423857780.db2.gz VCSDHUGSPWZFMH-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000156807674 1423867723 /nfs/dbraw/zinc/86/77/23/1423867723.db2.gz DCSFHGRSPZIMNW-HNNXBMFYSA-N -1 3 386.879 3.209 20 0 GGADHM CCc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000156805583 1423867808 /nfs/dbraw/zinc/86/78/08/1423867808.db2.gz OHJGGMDSJKGVKF-UHFFFAOYSA-N -1 3 378.428 3.299 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000156807830 1423868350 /nfs/dbraw/zinc/86/83/50/1423868350.db2.gz DCSFHGRSPZIMNW-OAHLLOKOSA-N -1 3 386.879 3.209 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3COc4ccc(F)cc4C3)c2)n1 ZINC000156834699 1423872588 /nfs/dbraw/zinc/87/25/88/1423872588.db2.gz TTWFUDNWPSTAJT-HNNXBMFYSA-N -1 3 380.375 3.041 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(OCC(F)F)nc3)c2)n1 ZINC000156834977 1423872679 /nfs/dbraw/zinc/87/26/79/1423872679.db2.gz YVCWVGIHVQULDA-UHFFFAOYSA-N -1 3 387.342 3.003 20 0 GGADHM O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1c[n-]c2ccccc2c1=O ZINC000157028722 1423906468 /nfs/dbraw/zinc/90/64/68/1423906468.db2.gz OCHMOGZWJABVIQ-UHFFFAOYSA-N -1 3 399.332 3.380 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CC1 ZINC000157125336 1423931798 /nfs/dbraw/zinc/93/17/98/1423931798.db2.gz UCDLQOBVHKZYLO-UHFFFAOYSA-N -1 3 397.855 3.276 20 0 GGADHM COCC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000157137219 1423934401 /nfs/dbraw/zinc/93/44/01/1423934401.db2.gz DMZPAZGGAQUEKA-UHFFFAOYSA-N -1 3 376.478 3.407 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)C(C)(C)c1ccccc1 ZINC000157171508 1423944257 /nfs/dbraw/zinc/94/42/57/1423944257.db2.gz COPOEYXNLUZQTD-ZDUSSCGKSA-N -1 3 379.453 3.257 20 0 GGADHM O=C(c1ccco1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000157251068 1423966902 /nfs/dbraw/zinc/96/69/02/1423966902.db2.gz OPSIPTRAEAUQRH-UHFFFAOYSA-N -1 3 392.411 3.376 20 0 GGADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000157300488 1423978830 /nfs/dbraw/zinc/97/88/30/1423978830.db2.gz POFOAKHASLILDA-UHFFFAOYSA-N -1 3 382.811 3.219 20 0 GGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000157346075 1423990401 /nfs/dbraw/zinc/99/04/01/1423990401.db2.gz SXQSXSOJMPRJEF-UHFFFAOYSA-N -1 3 399.819 3.487 20 0 GGADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000157443739 1424012881 /nfs/dbraw/zinc/01/28/81/1424012881.db2.gz AQQCDKLVIJWQBV-GOSISDBHSA-N -1 3 389.879 3.380 20 0 GGADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1C(=O)N(C)C ZINC000157466842 1424017401 /nfs/dbraw/zinc/01/74/01/1424017401.db2.gz HJZXMUXPWGZLAA-UHFFFAOYSA-N -1 3 381.407 3.238 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000157543246 1424034434 /nfs/dbraw/zinc/03/44/34/1424034434.db2.gz NYASCSLLBGFSNX-UHFFFAOYSA-N -1 3 399.397 3.283 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000157582978 1424042626 /nfs/dbraw/zinc/04/26/26/1424042626.db2.gz BUNHLWLFUWESNN-UHFFFAOYSA-N -1 3 394.474 3.278 20 0 GGADHM CCc1ccc([C@@H](NCC(=O)Nc2sccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000736684392 1424062053 /nfs/dbraw/zinc/06/20/53/1424062053.db2.gz GZPKAYIAWVLWRT-KRWDZBQOSA-N -1 3 384.509 3.416 20 0 GGADHM CCc1ccc([C@@H](NCC(=O)Nc2sccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000736684392 1424062057 /nfs/dbraw/zinc/06/20/57/1424062057.db2.gz GZPKAYIAWVLWRT-KRWDZBQOSA-N -1 3 384.509 3.416 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000157766537 1424083241 /nfs/dbraw/zinc/08/32/41/1424083241.db2.gz PQSIXZRFMDKRQG-UHFFFAOYSA-N -1 3 395.503 3.232 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccccn4)n3)nc21 ZINC000157781642 1424087018 /nfs/dbraw/zinc/08/70/18/1424087018.db2.gz KWDITUIAOSWRIJ-UHFFFAOYSA-N -1 3 379.401 3.120 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C4CC4)nc4onc(C)c43)nc21 ZINC000157794515 1424090018 /nfs/dbraw/zinc/09/00/18/1424090018.db2.gz YNETUYRKIZCXGE-UHFFFAOYSA-N -1 3 391.387 3.324 20 0 GGADHM CCCC[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)on1 ZINC000821043391 1424114465 /nfs/dbraw/zinc/11/44/65/1424114465.db2.gz OPSMWYMCRMUGRX-BBRMVZONSA-N -1 3 383.456 3.011 20 0 GGADHM CCCC[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)on1 ZINC000821043391 1424114474 /nfs/dbraw/zinc/11/44/74/1424114474.db2.gz OPSMWYMCRMUGRX-BBRMVZONSA-N -1 3 383.456 3.011 20 0 GGADHM CCc1cc2c(CN3CCOC[C@@H]3CC(=O)c3ccco3)cc(=O)oc2cc1[O-] ZINC000158138234 1424176124 /nfs/dbraw/zinc/17/61/24/1424176124.db2.gz RYXJTFXPBWXEOX-INIZCTEOSA-N -1 3 397.427 3.128 20 0 GGADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000158150615 1424180267 /nfs/dbraw/zinc/18/02/67/1424180267.db2.gz IHTXUDUTEONEBA-RKDXNWHRSA-N -1 3 396.353 3.363 20 0 GGADHM CCN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC(C)(C)O ZINC000158163036 1424183926 /nfs/dbraw/zinc/18/39/26/1424183926.db2.gz XNZTWIAIYSARGV-UHFFFAOYSA-N -1 3 375.469 3.384 20 0 GGADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158223264 1424200664 /nfs/dbraw/zinc/20/06/64/1424200664.db2.gz WPAYOBPWVHCLGE-KCJUWKMLSA-N -1 3 381.306 3.240 20 0 GGADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158223533 1424200757 /nfs/dbraw/zinc/20/07/57/1424200757.db2.gz WPAYOBPWVHCLGE-LDYMZIIASA-N -1 3 381.306 3.240 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000180042364 1429709925 /nfs/dbraw/zinc/70/99/25/1429709925.db2.gz VUMHYJNXJOESJD-QWRGUYRKSA-N -1 3 383.286 3.291 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)nc21 ZINC000158401503 1424245963 /nfs/dbraw/zinc/24/59/63/1424245963.db2.gz HCNAJUXFTPZXCR-UHFFFAOYSA-N -1 3 393.378 3.235 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(F)cc4)CCOCC3)nc21 ZINC000158416679 1424249054 /nfs/dbraw/zinc/24/90/54/1424249054.db2.gz IRPMXYJJKKBSHS-UHFFFAOYSA-N -1 3 397.406 3.176 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)c1 ZINC000158465278 1424264218 /nfs/dbraw/zinc/26/42/18/1424264218.db2.gz WQQSKWQAEGHZOY-HNNXBMFYSA-N -1 3 388.489 3.305 20 0 GGADHM COc1cc(CN(C)Cc2ccccc2-c2nn[n-]n2)c(SC)cc1OC ZINC000737046029 1424264712 /nfs/dbraw/zinc/26/47/12/1424264712.db2.gz YVTRAMDFYGOJEY-UHFFFAOYSA-N -1 3 385.493 3.238 20 0 GGADHM COc1cc(CN(C)Cc2ccccc2-c2nnn[n-]2)c(SC)cc1OC ZINC000737046029 1424264718 /nfs/dbraw/zinc/26/47/18/1424264718.db2.gz YVTRAMDFYGOJEY-UHFFFAOYSA-N -1 3 385.493 3.238 20 0 GGADHM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000158633067 1424305527 /nfs/dbraw/zinc/30/55/27/1424305527.db2.gz QBHHLSQLLCAKNI-UHFFFAOYSA-N -1 3 385.427 3.314 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1 ZINC000158765097 1424337129 /nfs/dbraw/zinc/33/71/29/1424337129.db2.gz OJDMCMGMGBLDRE-UHFFFAOYSA-N -1 3 396.534 3.015 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1cnc(Cl)c(Cl)c1 ZINC000158797987 1424344607 /nfs/dbraw/zinc/34/46/07/1424344607.db2.gz YKEKCUOKSVNHRD-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000158801429 1424346446 /nfs/dbraw/zinc/34/64/46/1424346446.db2.gz SXOXYLYEFMFFGW-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=C(C[C@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826405159 1424347134 /nfs/dbraw/zinc/34/71/34/1424347134.db2.gz WYJHCLCHGUYQDQ-MRXNPFEDSA-N -1 3 383.402 3.382 20 0 GGADHM C[C@@H](NCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000824600230 1424349509 /nfs/dbraw/zinc/34/95/09/1424349509.db2.gz YLGSLFIJEKZZLI-GFCCVEGCSA-N -1 3 388.269 3.359 20 0 GGADHM C[C@@H](NCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824600230 1424349514 /nfs/dbraw/zinc/34/95/14/1424349514.db2.gz YLGSLFIJEKZZLI-GFCCVEGCSA-N -1 3 388.269 3.359 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341708 1424353169 /nfs/dbraw/zinc/35/31/69/1424353169.db2.gz OEFNXWXMDDCMHZ-INIZCTEOSA-N -1 3 380.452 3.146 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826341708 1424353177 /nfs/dbraw/zinc/35/31/77/1424353177.db2.gz OEFNXWXMDDCMHZ-INIZCTEOSA-N -1 3 380.452 3.146 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)OCCCO2)c1cnc(Cl)c(Cl)c1 ZINC000158860714 1424358625 /nfs/dbraw/zinc/35/86/25/1424358625.db2.gz UQCGWWKFEHBRAZ-UHFFFAOYSA-N -1 3 389.260 3.028 20 0 GGADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000158859148 1424358806 /nfs/dbraw/zinc/35/88/06/1424358806.db2.gz VTAFLZNBGAEEQR-UHFFFAOYSA-N -1 3 380.322 3.455 20 0 GGADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccncc2)no1 ZINC000158869064 1424360883 /nfs/dbraw/zinc/36/08/83/1424360883.db2.gz IUKQITMFWSQAIV-MRXNPFEDSA-N -1 3 385.399 3.173 20 0 GGADHM CCC[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000180065138 1429721174 /nfs/dbraw/zinc/72/11/74/1429721174.db2.gz LWBPYRIWUXFZKT-LEWJYISDSA-N -1 3 396.487 3.281 20 0 GGADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1cc(Br)ccc1Cl ZINC000180761539 1430024472 /nfs/dbraw/zinc/02/44/72/1430024472.db2.gz MLQLYGJCSNZWKW-NSHDSACASA-N -1 3 382.707 3.340 20 0 GGADHM Cc1cncc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000180075249 1429725690 /nfs/dbraw/zinc/72/56/90/1429725690.db2.gz MJNZKKDQYGDJDM-OAQYLSRUSA-N -1 3 389.455 3.273 20 0 GGADHM COc1ccc(NCc2cnn(-c3ccc(F)cc3)c2)cc1[N-]S(C)(=O)=O ZINC000158952161 1424380183 /nfs/dbraw/zinc/38/01/83/1424380183.db2.gz RTYQBSUGAMFKHM-UHFFFAOYSA-N -1 3 390.440 3.004 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000159085846 1424413659 /nfs/dbraw/zinc/41/36/59/1424413659.db2.gz OWSXINXEQGQFEV-CQSZACIVSA-N -1 3 397.500 3.350 20 0 GGADHM CCOc1ccc(Cl)cc1CCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000159239805 1424454595 /nfs/dbraw/zinc/45/45/95/1424454595.db2.gz SRPGJGFXBKWEAU-UHFFFAOYSA-N -1 3 391.899 3.400 20 0 GGADHM CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000159272579 1424467910 /nfs/dbraw/zinc/46/79/10/1424467910.db2.gz PFKHBSZQAKBLPW-UHFFFAOYSA-N -1 3 392.463 3.423 20 0 GGADHM CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000159272579 1424467920 /nfs/dbraw/zinc/46/79/20/1424467920.db2.gz PFKHBSZQAKBLPW-UHFFFAOYSA-N -1 3 392.463 3.423 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC000159301048 1424477738 /nfs/dbraw/zinc/47/77/38/1424477738.db2.gz HSAQBHFQUDYXMC-LBPRGKRZSA-N -1 3 381.668 3.054 20 0 GGADHM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000159503182 1424507884 /nfs/dbraw/zinc/50/78/84/1424507884.db2.gz ONGKXRRYZTVHQX-ZDUSSCGKSA-N -1 3 376.261 3.014 20 0 GGADHM COCc1cc([C@H](C)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1OC ZINC000826164124 1424527835 /nfs/dbraw/zinc/52/78/35/1424527835.db2.gz BOYLULRDGVDNEJ-AWEZNQCLSA-N -1 3 379.464 3.362 20 0 GGADHM COCc1cc([C@H](C)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1OC ZINC000826164124 1424527839 /nfs/dbraw/zinc/52/78/39/1424527839.db2.gz BOYLULRDGVDNEJ-AWEZNQCLSA-N -1 3 379.464 3.362 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000159748177 1424532269 /nfs/dbraw/zinc/53/22/69/1424532269.db2.gz IWUVCGKONHTBJO-OAHLLOKOSA-N -1 3 399.672 3.341 20 0 GGADHM CCc1nc2ccccc2n1CCN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825749249 1429734578 /nfs/dbraw/zinc/73/45/78/1429734578.db2.gz AJPLNQHFKSLWTP-ZDUSSCGKSA-N -1 3 379.443 3.269 20 0 GGADHM CCc1nc2ccccc2n1CCN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825749249 1429734584 /nfs/dbraw/zinc/73/45/84/1429734584.db2.gz AJPLNQHFKSLWTP-ZDUSSCGKSA-N -1 3 379.443 3.269 20 0 GGADHM C[C@H](CC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl)c1ccncc1 ZINC000160432713 1424604026 /nfs/dbraw/zinc/60/40/26/1424604026.db2.gz WASSTGBWLOHLBC-SNVBAGLBSA-N -1 3 396.672 3.452 20 0 GGADHM CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736829000 1424608094 /nfs/dbraw/zinc/60/80/94/1424608094.db2.gz UOCCCXHRERVNNC-UHFFFAOYSA-N -1 3 399.458 3.146 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cc(Cl)ccc2C)c1 ZINC000160524120 1424611123 /nfs/dbraw/zinc/61/11/23/1424611123.db2.gz LXZURQJFVZAQGK-UHFFFAOYSA-N -1 3 397.656 3.494 20 0 GGADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2)n[nH]1 ZINC000160683237 1424626581 /nfs/dbraw/zinc/62/65/81/1424626581.db2.gz HZAGFRAETARKKH-UHFFFAOYSA-N -1 3 397.412 3.418 20 0 GGADHM COc1ccc(Br)cc1C(=O)CCC(=O)[N-]OCc1cccnc1 ZINC000160849921 1424638967 /nfs/dbraw/zinc/63/89/67/1424638967.db2.gz QQWVPWJNTDYKKU-UHFFFAOYSA-N -1 3 393.237 3.064 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1Cl ZINC000161574510 1424714995 /nfs/dbraw/zinc/71/49/95/1424714995.db2.gz SFRVGBRZVGOTFZ-UHFFFAOYSA-N -1 3 392.868 3.157 20 0 GGADHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000161582563 1424717486 /nfs/dbraw/zinc/71/74/86/1424717486.db2.gz ZMNJBVZMTAKYJC-UHFFFAOYSA-N -1 3 392.868 3.157 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1F ZINC000161586698 1424718096 /nfs/dbraw/zinc/71/80/96/1424718096.db2.gz FPYGENXGRGHPKO-AWEZNQCLSA-N -1 3 395.349 3.304 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCc2ccc(Cl)cc21 ZINC000161593957 1424719777 /nfs/dbraw/zinc/71/97/77/1424719777.db2.gz MSYXDLKDELYUQO-UHFFFAOYSA-N -1 3 394.862 3.316 20 0 GGADHM CCN1CCc2nc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)sc2C1 ZINC000161617679 1424725574 /nfs/dbraw/zinc/72/55/74/1424725574.db2.gz YVIMMBSHLYAHIP-UHFFFAOYSA-N -1 3 386.452 3.062 20 0 GGADHM CCOC(=O)c1sc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)nc1C ZINC000161639045 1424730640 /nfs/dbraw/zinc/73/06/40/1424730640.db2.gz KUSYCZBAAGSDDT-UHFFFAOYSA-N -1 3 389.408 3.170 20 0 GGADHM Cc1cccc2c1[n-]cc(C(=O)Nc1nc(-c3c[nH]c(C(N)=O)c3)cs1)c2=O ZINC000161753635 1424757240 /nfs/dbraw/zinc/75/72/40/1424757240.db2.gz LNAGUVDXSUMBGG-UHFFFAOYSA-N -1 3 393.428 3.052 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822345805 1424769047 /nfs/dbraw/zinc/76/90/47/1424769047.db2.gz RZJUCEDKTPMOMK-PMPSAXMXSA-N -1 3 378.480 3.092 20 0 GGADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822345805 1424769052 /nfs/dbraw/zinc/76/90/52/1424769052.db2.gz RZJUCEDKTPMOMK-PMPSAXMXSA-N -1 3 378.480 3.092 20 0 GGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(N4CCC(O)CC4)cc3)c[n-]c12 ZINC000162108818 1424816701 /nfs/dbraw/zinc/81/67/01/1424816701.db2.gz RNAHUPYIOQNLJN-UHFFFAOYSA-N -1 3 377.444 3.462 20 0 GGADHM COc1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000162183136 1424824281 /nfs/dbraw/zinc/82/42/81/1424824281.db2.gz YAXAARCNYYIBLG-FQEVSTJZSA-N -1 3 378.428 3.456 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@@]1(O)CCc2ccccc21 ZINC000162229352 1424828756 /nfs/dbraw/zinc/82/87/56/1424828756.db2.gz PIKYBIKBOSZQBO-KRWDZBQOSA-N -1 3 386.300 3.247 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000162327449 1424838229 /nfs/dbraw/zinc/83/82/29/1424838229.db2.gz OIBQEIHNWZZXHS-KRWDZBQOSA-N -1 3 392.496 3.217 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Nc4cnn(C)c4)c3)nc21 ZINC000162447544 1424852992 /nfs/dbraw/zinc/85/29/92/1424852992.db2.gz XAKBDXPDWVJZFE-UHFFFAOYSA-N -1 3 390.403 3.079 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)cc3OC(F)F)nc21 ZINC000162448504 1424853687 /nfs/dbraw/zinc/85/36/87/1424853687.db2.gz PPZMZIDHMWXKJQ-UHFFFAOYSA-N -1 3 379.294 3.342 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)C(=O)c3cccc(F)c3)nc21 ZINC000162458900 1424855347 /nfs/dbraw/zinc/85/53/47/1424855347.db2.gz RHODEHHBYFSDSH-NSHDSACASA-N -1 3 383.379 3.336 20 0 GGADHM CCN(c1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cn1)C(C)C ZINC000162472396 1424856148 /nfs/dbraw/zinc/85/61/48/1424856148.db2.gz DYFVIDIFPNHVPB-UHFFFAOYSA-N -1 3 381.436 3.232 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(CC(C)C)c3C(F)F)nc21 ZINC000162500236 1424859451 /nfs/dbraw/zinc/85/94/51/1424859451.db2.gz WWOXEHITONRBIP-UHFFFAOYSA-N -1 3 391.378 3.392 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(-c4ccccn4)nc3C)nc21 ZINC000162529512 1424862265 /nfs/dbraw/zinc/86/22/65/1424862265.db2.gz SJKQDUZPXASHKZ-UHFFFAOYSA-N -1 3 393.428 3.429 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)nc3Br)nc21 ZINC000162527610 1424862300 /nfs/dbraw/zinc/86/23/00/1424862300.db2.gz UBJBXTBEBTVKEE-UHFFFAOYSA-N -1 3 389.209 3.068 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)C(F)(F)c3ccc(OC)cc3)nc21 ZINC000162535175 1424863626 /nfs/dbraw/zinc/86/36/26/1424863626.db2.gz HDBUDQJGQFJEQF-UHFFFAOYSA-N -1 3 375.331 3.089 20 0 GGADHM CCCC[C@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)on1 ZINC000821043392 1424868069 /nfs/dbraw/zinc/86/80/69/1424868069.db2.gz OPSMWYMCRMUGRX-CJNGLKHVSA-N -1 3 383.456 3.011 20 0 GGADHM CCCC[C@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)on1 ZINC000821043392 1424868075 /nfs/dbraw/zinc/86/80/75/1424868075.db2.gz OPSMWYMCRMUGRX-CJNGLKHVSA-N -1 3 383.456 3.011 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000162676209 1424878582 /nfs/dbraw/zinc/87/85/82/1424878582.db2.gz MNDUJPLFUMUPJH-INIZCTEOSA-N -1 3 378.432 3.328 20 0 GGADHM COc1cc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)cc(OC)c1[O-] ZINC000162678788 1424879124 /nfs/dbraw/zinc/87/91/24/1424879124.db2.gz FWCQBXHCWUHFSX-UHFFFAOYSA-N -1 3 382.416 3.345 20 0 GGADHM C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736132973 1424891020 /nfs/dbraw/zinc/89/10/20/1424891020.db2.gz QUZCZVPRHCTMKZ-IFXJQAMLSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736132973 1424891029 /nfs/dbraw/zinc/89/10/29/1424891029.db2.gz QUZCZVPRHCTMKZ-IFXJQAMLSA-N -1 3 376.464 3.325 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000162830896 1424894315 /nfs/dbraw/zinc/89/43/15/1424894315.db2.gz LESHVFCENRUWDB-CQSZACIVSA-N -1 3 378.444 3.185 20 0 GGADHM O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1ccc([O-])cc1F ZINC000162842799 1424895650 /nfs/dbraw/zinc/89/56/50/1424895650.db2.gz VVKPIMWLUOFJKO-UHFFFAOYSA-N -1 3 383.423 3.071 20 0 GGADHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[N-]OCCC(F)(F)F ZINC000162865448 1424897987 /nfs/dbraw/zinc/89/79/87/1424897987.db2.gz OCJCZGPFGLECRP-UHFFFAOYSA-N -1 3 380.370 3.432 20 0 GGADHM C[C@H](N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccc2ccccc21 ZINC000736129680 1424927830 /nfs/dbraw/zinc/92/78/30/1424927830.db2.gz FAEORJXHBHGZPC-BTYIYWSLSA-N -1 3 398.470 3.476 20 0 GGADHM C[C@H](N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccc2ccccc21 ZINC000736129680 1424927837 /nfs/dbraw/zinc/92/78/37/1424927837.db2.gz FAEORJXHBHGZPC-BTYIYWSLSA-N -1 3 398.470 3.476 20 0 GGADHM CCCC[C@@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825266371 1424969939 /nfs/dbraw/zinc/96/99/39/1424969939.db2.gz FIHUXIHJNWGSOJ-LJQANCHMSA-N -1 3 394.479 3.335 20 0 GGADHM CCCC[C@@H](NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825266371 1424969943 /nfs/dbraw/zinc/96/99/43/1424969943.db2.gz FIHUXIHJNWGSOJ-LJQANCHMSA-N -1 3 394.479 3.335 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2nnc(C(F)F)n2c1 ZINC000163282356 1424973250 /nfs/dbraw/zinc/97/32/50/1424973250.db2.gz UQRVTXXEAWBXSM-UHFFFAOYSA-N -1 3 383.152 3.387 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820668469 1424979882 /nfs/dbraw/zinc/97/98/82/1424979882.db2.gz SYCMKNUGOSQFCJ-KSSFIOAISA-N -1 3 387.447 3.295 20 0 GGADHM C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820668469 1424979886 /nfs/dbraw/zinc/97/98/86/1424979886.db2.gz SYCMKNUGOSQFCJ-KSSFIOAISA-N -1 3 387.447 3.295 20 0 GGADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163394758 1424989907 /nfs/dbraw/zinc/98/99/07/1424989907.db2.gz RQSRLPUVOYSWDJ-SCZZXKLOSA-N -1 3 384.401 3.176 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000163392912 1424989921 /nfs/dbraw/zinc/98/99/21/1424989921.db2.gz JKVOXGUOIGTCFP-HNNXBMFYSA-N -1 3 395.349 3.137 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000163403997 1424993086 /nfs/dbraw/zinc/99/30/86/1424993086.db2.gz MCPUPPCOJZLKTF-OAHLLOKOSA-N -1 3 396.242 3.425 20 0 GGADHM O[C@@H](CNCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000823681286 1425005503 /nfs/dbraw/zinc/00/55/03/1425005503.db2.gz DBPWSGMBFVKGPR-HNNXBMFYSA-N -1 3 382.226 3.136 20 0 GGADHM O[C@@H](CNCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000823681286 1425005515 /nfs/dbraw/zinc/00/55/15/1425005515.db2.gz DBPWSGMBFVKGPR-HNNXBMFYSA-N -1 3 382.226 3.136 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])c2)n1 ZINC000163501735 1425008123 /nfs/dbraw/zinc/00/81/23/1425008123.db2.gz HTNRDTZSNQSZLM-UHFFFAOYSA-N -1 3 379.416 3.423 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](O)c1c(Cl)cccc1Cl ZINC000163567379 1425019274 /nfs/dbraw/zinc/01/92/74/1425019274.db2.gz KEWMEVSOZPOMDT-AWEZNQCLSA-N -1 3 396.242 3.425 20 0 GGADHM CCN1CCN(Cc2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000825459842 1425025153 /nfs/dbraw/zinc/02/51/53/1425025153.db2.gz ORYJXNLTTNKSTJ-QGZVFWFLSA-N -1 3 391.523 3.177 20 0 GGADHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)NCc1ccc([O-])c(F)c1)CC3 ZINC000163637763 1425028117 /nfs/dbraw/zinc/02/81/17/1425028117.db2.gz BYUXDMMWRPQSSO-UHFFFAOYSA-N -1 3 397.406 3.067 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163642724 1425028418 /nfs/dbraw/zinc/02/84/18/1425028418.db2.gz CYQHNLKLSVFLTP-UHFFFAOYSA-N -1 3 377.847 3.212 20 0 GGADHM COc1ccc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)cc1OC(F)F ZINC000163650652 1425029247 /nfs/dbraw/zinc/02/92/47/1425029247.db2.gz MPFYKCRETHRLSP-UHFFFAOYSA-N -1 3 384.354 3.483 20 0 GGADHM O=C(Nc1ccccc1)NC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163702001 1425036023 /nfs/dbraw/zinc/03/60/23/1425036023.db2.gz DNRNGEGKOZITLV-UHFFFAOYSA-N -1 3 386.427 3.027 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000163726362 1425038236 /nfs/dbraw/zinc/03/82/36/1425038236.db2.gz USUYGGZYSBKRJM-UHFFFAOYSA-N -1 3 385.423 3.116 20 0 GGADHM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163750252 1425040426 /nfs/dbraw/zinc/04/04/26/1425040426.db2.gz XMSKBYKOXGKCRP-ZDUSSCGKSA-N -1 3 393.409 3.398 20 0 GGADHM CCCn1nc(C)c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1C ZINC000163858932 1425051765 /nfs/dbraw/zinc/05/17/65/1425051765.db2.gz ZGTNDOKVBKCQHV-UHFFFAOYSA-N -1 3 379.464 3.475 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555954 1425056515 /nfs/dbraw/zinc/05/65/15/1425056515.db2.gz YUTISZPAJZLDGV-SMDDNHRTSA-N -1 3 388.397 3.214 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555954 1425056526 /nfs/dbraw/zinc/05/65/26/1425056526.db2.gz YUTISZPAJZLDGV-SMDDNHRTSA-N -1 3 388.397 3.214 20 0 GGADHM OCCCN(Cc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCCc2ccccc21 ZINC000826509650 1425085905 /nfs/dbraw/zinc/08/59/05/1425085905.db2.gz CFDRMUVOKGAGSV-LJQANCHMSA-N -1 3 381.455 3.268 20 0 GGADHM OCCCN(Cc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCCc2ccccc21 ZINC000826509650 1425085914 /nfs/dbraw/zinc/08/59/14/1425085914.db2.gz CFDRMUVOKGAGSV-LJQANCHMSA-N -1 3 381.455 3.268 20 0 GGADHM Fc1ccc(C2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1F ZINC000826374155 1425096996 /nfs/dbraw/zinc/09/69/96/1425096996.db2.gz NRLWRBHSQFCVND-UHFFFAOYSA-N -1 3 395.417 3.172 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820413817 1425116600 /nfs/dbraw/zinc/11/66/00/1425116600.db2.gz VYYAXSLVJRJNQB-RDBSUJKOSA-N -1 3 398.898 3.437 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820413817 1425116607 /nfs/dbraw/zinc/11/66/07/1425116607.db2.gz VYYAXSLVJRJNQB-RDBSUJKOSA-N -1 3 398.898 3.437 20 0 GGADHM C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736132972 1425116695 /nfs/dbraw/zinc/11/66/95/1425116695.db2.gz QUZCZVPRHCTMKZ-AUUYWEPGSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736132972 1425116701 /nfs/dbraw/zinc/11/67/01/1425116701.db2.gz QUZCZVPRHCTMKZ-AUUYWEPGSA-N -1 3 376.464 3.325 20 0 GGADHM Cc1ccc(C)c(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000164600969 1425127089 /nfs/dbraw/zinc/12/70/89/1425127089.db2.gz GFRZQZBPOKEZBV-UHFFFAOYSA-N -1 3 380.231 3.010 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)c(C)o1 ZINC000165046043 1425159240 /nfs/dbraw/zinc/15/92/40/1425159240.db2.gz VFDOJSQRBPWCFI-GOSISDBHSA-N -1 3 394.468 3.297 20 0 GGADHM Cc1ccc(OC2CCN(CCOc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737365407 1425169599 /nfs/dbraw/zinc/16/95/99/1425169599.db2.gz RCCNCJSQIXDTCQ-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM Cc1ccc(OC2CCN(CCOc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737365407 1425169609 /nfs/dbraw/zinc/16/96/09/1425169609.db2.gz RCCNCJSQIXDTCQ-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM O=S(=O)([N-]N=c1nc[nH]c2ccsc21)c1ccc(Cl)c(Cl)c1 ZINC000165429419 1425178428 /nfs/dbraw/zinc/17/84/28/1425178428.db2.gz DICNAGKRURKSLJ-UHFFFAOYSA-N -1 3 375.262 3.304 20 0 GGADHM CC(C)(C)C[C@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824085868 1425191551 /nfs/dbraw/zinc/19/15/51/1425191551.db2.gz HMGZPHGXDKVXAX-IBGZPJMESA-N -1 3 392.507 3.250 20 0 GGADHM CC(C)(C)C[C@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824085868 1425191560 /nfs/dbraw/zinc/19/15/60/1425191560.db2.gz HMGZPHGXDKVXAX-IBGZPJMESA-N -1 3 392.507 3.250 20 0 GGADHM Cc1c(Cl)cnc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1-c1nn[n-]n1 ZINC000826239116 1425206202 /nfs/dbraw/zinc/20/62/02/1425206202.db2.gz YCYAOAQWVPLCDK-ZDUSSCGKSA-N -1 3 398.902 3.256 20 0 GGADHM Cc1c(Cl)cnc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1-c1nnn[n-]1 ZINC000826239116 1425206207 /nfs/dbraw/zinc/20/62/07/1425206207.db2.gz YCYAOAQWVPLCDK-ZDUSSCGKSA-N -1 3 398.902 3.256 20 0 GGADHM Fc1ccccc1COC1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826378746 1425238709 /nfs/dbraw/zinc/23/87/09/1425238709.db2.gz YNRRMNQOZGBNAP-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582624 1425240553 /nfs/dbraw/zinc/24/05/53/1425240553.db2.gz MDTKEPGJUPGOJC-MSOLQXFVSA-N -1 3 395.511 3.074 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)C12CCCCC2 ZINC000825582624 1425240557 /nfs/dbraw/zinc/24/05/57/1425240557.db2.gz MDTKEPGJUPGOJC-MSOLQXFVSA-N -1 3 395.511 3.074 20 0 GGADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c(F)cccc1Cl ZINC000169877725 1425260420 /nfs/dbraw/zinc/26/04/20/1425260420.db2.gz GUUDMZQFNTWJGL-UHFFFAOYSA-N -1 3 376.815 3.219 20 0 GGADHM C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820432617 1425318499 /nfs/dbraw/zinc/31/84/99/1425318499.db2.gz QZODROUWVCQZJD-OAHLLOKOSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432617 1425318501 /nfs/dbraw/zinc/31/85/01/1425318501.db2.gz QZODROUWVCQZJD-OAHLLOKOSA-N -1 3 399.458 3.365 20 0 GGADHM Clc1ccc(N2CC[C@H](NCc3ccc(-c4nn[n-]n4)o3)C2)cc1Cl ZINC000826351850 1425335928 /nfs/dbraw/zinc/33/59/28/1425335928.db2.gz DBJDRCWOJSAKSI-JTQLQIEISA-N -1 3 379.251 3.135 20 0 GGADHM Clc1ccc(N2CC[C@H](NCc3ccc(-c4nnn[n-]4)o3)C2)cc1Cl ZINC000826351850 1425335936 /nfs/dbraw/zinc/33/59/36/1425335936.db2.gz DBJDRCWOJSAKSI-JTQLQIEISA-N -1 3 379.251 3.135 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCSc3c(F)cccc32)c([O-])c1 ZINC000170826115 1425356199 /nfs/dbraw/zinc/35/61/99/1425356199.db2.gz WFKKCFJWNKBXLG-INIZCTEOSA-N -1 3 388.464 3.313 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCSc3c(F)cccc32)c([O-])c1 ZINC000170826112 1425356328 /nfs/dbraw/zinc/35/63/28/1425356328.db2.gz WFKKCFJWNKBXLG-MRXNPFEDSA-N -1 3 388.464 3.313 20 0 GGADHM CCCOCc1ccccc1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000170827416 1425357060 /nfs/dbraw/zinc/35/70/60/1425357060.db2.gz QOBFGSAMGBJGEH-UHFFFAOYSA-N -1 3 384.476 3.064 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2nccs2)c2ccccc2)c([O-])c1 ZINC000170902235 1425385887 /nfs/dbraw/zinc/38/58/87/1425385887.db2.gz RANVTHXEWLABFE-LJQANCHMSA-N -1 3 395.484 3.183 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2nccs2)c2ccccc2)c([O-])c1 ZINC000170902233 1425386224 /nfs/dbraw/zinc/38/62/24/1425386224.db2.gz RANVTHXEWLABFE-IBGZPJMESA-N -1 3 395.484 3.183 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000170933148 1425399704 /nfs/dbraw/zinc/39/97/04/1425399704.db2.gz QRGZXLQAHCFCRR-UHFFFAOYSA-N -1 3 389.408 3.484 20 0 GGADHM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000171104706 1425484571 /nfs/dbraw/zinc/48/45/71/1425484571.db2.gz ONCRFXPUXJORIO-INIZCTEOSA-N -1 3 397.406 3.034 20 0 GGADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819914550 1425484605 /nfs/dbraw/zinc/48/46/05/1425484605.db2.gz WTIFNSLPVAFXKG-UHFFFAOYSA-N -1 3 391.907 3.106 20 0 GGADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000819914550 1425484606 /nfs/dbraw/zinc/48/46/06/1425484606.db2.gz WTIFNSLPVAFXKG-UHFFFAOYSA-N -1 3 391.907 3.106 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139855020 1425508183 /nfs/dbraw/zinc/50/81/83/1425508183.db2.gz RLQXOTUAYXANBO-JQHSSLGASA-N -1 3 383.496 3.342 20 0 GGADHM O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737892725 1425525254 /nfs/dbraw/zinc/52/52/54/1425525254.db2.gz ZVOLIMCECICZEE-SFHVURJKSA-N -1 3 382.855 3.200 20 0 GGADHM O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737892725 1425525260 /nfs/dbraw/zinc/52/52/60/1425525260.db2.gz ZVOLIMCECICZEE-SFHVURJKSA-N -1 3 382.855 3.200 20 0 GGADHM CCCN1Cc2cccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])c2C1 ZINC000171187505 1425530137 /nfs/dbraw/zinc/53/01/37/1425530137.db2.gz HEGYKGSBUFJCPH-UHFFFAOYSA-N -1 3 381.476 3.185 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCCOC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000171291200 1425597528 /nfs/dbraw/zinc/59/75/28/1425597528.db2.gz ZZMXHRFARUZZQG-AWEZNQCLSA-N -1 3 392.452 3.300 20 0 GGADHM CC[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825132604 1425597747 /nfs/dbraw/zinc/59/77/47/1425597747.db2.gz BNORAAFEPCXUNC-ACJLOTCBSA-N -1 3 398.898 3.438 20 0 GGADHM CC[C@H](NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825132604 1425597755 /nfs/dbraw/zinc/59/77/55/1425597755.db2.gz BNORAAFEPCXUNC-ACJLOTCBSA-N -1 3 398.898 3.438 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CCCOC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000171291191 1425597795 /nfs/dbraw/zinc/59/77/95/1425597795.db2.gz ZZMXHRFARUZZQG-CQSZACIVSA-N -1 3 392.452 3.300 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825669032 1425623054 /nfs/dbraw/zinc/62/30/54/1425623054.db2.gz OQAKTIQYDKOUBV-KBPBESRZSA-N -1 3 385.493 3.072 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825669032 1425623066 /nfs/dbraw/zinc/62/30/66/1425623066.db2.gz OQAKTIQYDKOUBV-KBPBESRZSA-N -1 3 385.493 3.072 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000171339179 1425625520 /nfs/dbraw/zinc/62/55/20/1425625520.db2.gz PITRIEZUVJDCRC-GOSISDBHSA-N -1 3 387.461 3.362 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000171339175 1425625774 /nfs/dbraw/zinc/62/57/74/1425625774.db2.gz PITRIEZUVJDCRC-SFHVURJKSA-N -1 3 387.461 3.362 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)CCOc1ccccc1-c1nn[n-]n1)CCC2 ZINC000821510042 1425641107 /nfs/dbraw/zinc/64/11/07/1425641107.db2.gz UDZWDXPXGAGOEW-HNNXBMFYSA-N -1 3 384.509 3.274 20 0 GGADHM CCc1nc2c(s1)[C@@H](N(C)CCOc1ccccc1-c1nnn[n-]1)CCC2 ZINC000821510042 1425641113 /nfs/dbraw/zinc/64/11/13/1425641113.db2.gz UDZWDXPXGAGOEW-HNNXBMFYSA-N -1 3 384.509 3.274 20 0 GGADHM O=C(Nc1cccc(C(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000171395107 1425659541 /nfs/dbraw/zinc/65/95/41/1425659541.db2.gz DFBUUTZDNKUTCU-UHFFFAOYSA-N -1 3 375.375 3.320 20 0 GGADHM Cc1cc(C)cc([C@@H](O)CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822196451 1425662026 /nfs/dbraw/zinc/66/20/26/1425662026.db2.gz KBFGRPWMULINNF-NRFANRHFSA-N -1 3 393.491 3.060 20 0 GGADHM Cc1cc(C)cc([C@@H](O)CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822196451 1425662029 /nfs/dbraw/zinc/66/20/29/1425662029.db2.gz KBFGRPWMULINNF-NRFANRHFSA-N -1 3 393.491 3.060 20 0 GGADHM COc1ccccc1SC[C@@H](C)CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000171519664 1425712188 /nfs/dbraw/zinc/71/21/88/1425712188.db2.gz OVIYTCAEVXXLSS-IQGJIOQQSA-N -1 3 382.485 3.324 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1-c1nnn[n-]1 ZINC000824329205 1425770678 /nfs/dbraw/zinc/77/06/78/1425770678.db2.gz LEOOYBWTGNZNCE-UHFFFAOYSA-N -1 3 398.433 3.483 20 0 GGADHM CC(C)Oc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1-c1nn[n-]n1 ZINC000824329205 1425770682 /nfs/dbraw/zinc/77/06/82/1425770682.db2.gz LEOOYBWTGNZNCE-UHFFFAOYSA-N -1 3 398.433 3.483 20 0 GGADHM Cc1c([C@H](C)NC(=O)c2nnc3ccccc3c2[O-])cnn1-c1ccc(F)cc1 ZINC000171766384 1425814952 /nfs/dbraw/zinc/81/49/52/1425814952.db2.gz YKROTNHTLQULAO-LBPRGKRZSA-N -1 3 391.406 3.047 20 0 GGADHM O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1nnc2ccccc2c1[O-] ZINC000171869384 1425839084 /nfs/dbraw/zinc/83/90/84/1425839084.db2.gz CCFHJTMINRNZBI-SFHVURJKSA-N -1 3 385.427 3.298 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@H](C)NC(=O)OC(C)(C)C)nc2)n1 ZINC000171945464 1425858639 /nfs/dbraw/zinc/85/86/39/1425858639.db2.gz YBFBGXMKEADFOM-ZDUSSCGKSA-N -1 3 387.484 3.110 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OCC4CC4)cc3)ccc21 ZINC000171955878 1425861067 /nfs/dbraw/zinc/86/10/67/1425861067.db2.gz GSYVJZQRKFZBBC-UHFFFAOYSA-N -1 3 386.473 3.185 20 0 GGADHM Fc1ccc(CN2CCC(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737646845 1425882452 /nfs/dbraw/zinc/88/24/52/1425882452.db2.gz AFTXRUOJEORCMI-UHFFFAOYSA-N -1 3 387.850 3.131 20 0 GGADHM Fc1ccc(CN2CCC(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737646845 1425882461 /nfs/dbraw/zinc/88/24/61/1425882461.db2.gz AFTXRUOJEORCMI-UHFFFAOYSA-N -1 3 387.850 3.131 20 0 GGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000172197975 1425942840 /nfs/dbraw/zinc/94/28/40/1425942840.db2.gz XFBPYBPHMZVIHE-UHFFFAOYSA-N -1 3 389.864 3.391 20 0 GGADHM Cc1cc([C@@H](C)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)s1 ZINC000826261462 1425945834 /nfs/dbraw/zinc/94/58/34/1425945834.db2.gz GGLCKAHHVIVFSZ-SJKOYZFVSA-N -1 3 382.493 3.001 20 0 GGADHM CCc1ccc([C@@H]2CCCN2CCC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000736682872 1425960456 /nfs/dbraw/zinc/96/04/56/1425960456.db2.gz BPFXSCLIJTWKGR-AWEZNQCLSA-N -1 3 386.481 3.249 20 0 GGADHM CCc1ccc([C@@H]2CCCN2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000736682872 1425960461 /nfs/dbraw/zinc/96/04/61/1425960461.db2.gz BPFXSCLIJTWKGR-AWEZNQCLSA-N -1 3 386.481 3.249 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c(-c2nn[n-]n2)c1C ZINC000826349248 1425961162 /nfs/dbraw/zinc/96/11/62/1425961162.db2.gz ASLULZMFRBISNQ-KRWDZBQOSA-N -1 3 384.509 3.470 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826349248 1425961166 /nfs/dbraw/zinc/96/11/66/1425961166.db2.gz ASLULZMFRBISNQ-KRWDZBQOSA-N -1 3 384.509 3.470 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3sc(Br)cc3C2)n1 ZINC000822192976 1425962556 /nfs/dbraw/zinc/96/25/56/1425962556.db2.gz HNAYZPOUHSIGKX-UHFFFAOYSA-N -1 3 391.298 3.265 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3sc(Br)cc3C2)n1 ZINC000822192976 1425962560 /nfs/dbraw/zinc/96/25/60/1425962560.db2.gz HNAYZPOUHSIGKX-UHFFFAOYSA-N -1 3 391.298 3.265 20 0 GGADHM C[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555946 1425977041 /nfs/dbraw/zinc/97/70/41/1425977041.db2.gz YUTISZPAJZLDGV-FZMZJTMJSA-N -1 3 388.397 3.214 20 0 GGADHM C[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555946 1425977047 /nfs/dbraw/zinc/97/70/47/1425977047.db2.gz YUTISZPAJZLDGV-FZMZJTMJSA-N -1 3 388.397 3.214 20 0 GGADHM CSc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821984396 1426004222 /nfs/dbraw/zinc/00/42/22/1426004222.db2.gz PKTXLMFZVBHKIQ-STQMWFEESA-N -1 3 382.493 3.266 20 0 GGADHM CSc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821984396 1426004226 /nfs/dbraw/zinc/00/42/26/1426004226.db2.gz PKTXLMFZVBHKIQ-STQMWFEESA-N -1 3 382.493 3.266 20 0 GGADHM CN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000825914615 1426012429 /nfs/dbraw/zinc/01/24/29/1426012429.db2.gz LTNUHMAXFHVYQE-UHFFFAOYSA-N -1 3 388.834 3.120 20 0 GGADHM CN(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000825914615 1426012435 /nfs/dbraw/zinc/01/24/35/1426012435.db2.gz LTNUHMAXFHVYQE-UHFFFAOYSA-N -1 3 388.834 3.120 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000819877488 1426014910 /nfs/dbraw/zinc/01/49/10/1426014910.db2.gz WWPIEWQBQNOJBB-BFYDXBDKSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000819877488 1426014919 /nfs/dbraw/zinc/01/49/19/1426014919.db2.gz WWPIEWQBQNOJBB-BFYDXBDKSA-N -1 3 376.464 3.072 20 0 GGADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000172366539 1426016345 /nfs/dbraw/zinc/01/63/45/1426016345.db2.gz GVQLKRMSMDXSKJ-RLFYNMQTSA-N -1 3 394.537 3.034 20 0 GGADHM CCN(CC1CC1)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825416864 1426016778 /nfs/dbraw/zinc/01/67/78/1426016778.db2.gz MZQQZBBYTZLTFQ-LBPRGKRZSA-N -1 3 388.541 3.256 20 0 GGADHM CCN(CC1CC1)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825416864 1426016788 /nfs/dbraw/zinc/01/67/88/1426016788.db2.gz MZQQZBBYTZLTFQ-LBPRGKRZSA-N -1 3 388.541 3.256 20 0 GGADHM C[C@H](C(=O)OC(C)(C)C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172527545 1426071391 /nfs/dbraw/zinc/07/13/91/1426071391.db2.gz MSFOQFMWXLXCHA-GFCCVEGCSA-N -1 3 382.888 3.426 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000737558537 1426072896 /nfs/dbraw/zinc/07/28/96/1426072896.db2.gz MZBISOVXAXIZLX-MRXNPFEDSA-N -1 3 383.887 3.382 20 0 GGADHM Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000172551721 1426083420 /nfs/dbraw/zinc/08/34/20/1426083420.db2.gz SPVZZGSVWQLMGZ-UHFFFAOYSA-N -1 3 382.439 3.457 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820642747 1426098906 /nfs/dbraw/zinc/09/89/06/1426098906.db2.gz LGEUDJMSFXAIDJ-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820642747 1426098914 /nfs/dbraw/zinc/09/89/14/1426098914.db2.gz LGEUDJMSFXAIDJ-KDOFPFPSSA-N -1 3 387.447 3.295 20 0 GGADHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735693763 1426106571 /nfs/dbraw/zinc/10/65/71/1426106571.db2.gz LYVJEDXETFOISV-LJQANCHMSA-N -1 3 392.479 3.035 20 0 GGADHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735693763 1426106576 /nfs/dbraw/zinc/10/65/76/1426106576.db2.gz LYVJEDXETFOISV-LJQANCHMSA-N -1 3 392.479 3.035 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cnc(Cl)c(Cl)c1 ZINC000172600780 1426107622 /nfs/dbraw/zinc/10/76/22/1426107622.db2.gz DJSBBQGOJUDCLF-GFCCVEGCSA-N -1 3 377.224 3.330 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000172599659 1426107832 /nfs/dbraw/zinc/10/78/32/1426107832.db2.gz UAVBPARXURWFJH-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COc1ccc(C(=O)C2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000172625854 1426117877 /nfs/dbraw/zinc/11/78/77/1426117877.db2.gz SXRUJLJOSQZECC-UHFFFAOYSA-N -1 3 386.423 3.344 20 0 GGADHM COc1cccc([C@H](C)N2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000172627173 1426118785 /nfs/dbraw/zinc/11/87/85/1426118785.db2.gz SRWFQWVUDDLOAR-HNNXBMFYSA-N -1 3 387.455 3.128 20 0 GGADHM CC(C)c1cnc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000172673140 1426136999 /nfs/dbraw/zinc/13/69/99/1426136999.db2.gz ZOCLXAIWMWORLQ-UHFFFAOYSA-N -1 3 383.470 3.099 20 0 GGADHM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819914190 1426163837 /nfs/dbraw/zinc/16/38/37/1426163837.db2.gz OEHMYIUNANNNCI-UHFFFAOYSA-N -1 3 382.443 3.245 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172813474 1426200713 /nfs/dbraw/zinc/20/07/13/1426200713.db2.gz GNDCGZWIIQTJFZ-UHFFFAOYSA-N -1 3 394.471 3.141 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1 ZINC000736368207 1426201742 /nfs/dbraw/zinc/20/17/42/1426201742.db2.gz ATKATIICOINRLB-IUODEOHRSA-N -1 3 396.520 3.485 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1 ZINC000736368207 1426201748 /nfs/dbraw/zinc/20/17/48/1426201748.db2.gz ATKATIICOINRLB-IUODEOHRSA-N -1 3 396.520 3.485 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Cc3c(C)nn(C)c3C)c2)n1 ZINC000172818848 1426203104 /nfs/dbraw/zinc/20/31/04/1426203104.db2.gz RIEKZWPBRFRVDN-ZDUSSCGKSA-N -1 3 393.491 3.167 20 0 GGADHM CC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000825139183 1426232125 /nfs/dbraw/zinc/23/21/25/1426232125.db2.gz CSFCCMVQIJQKER-AJPKGMEUSA-N -1 3 391.397 3.447 20 0 GGADHM Cc1nccc(-c2cccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)c2)n1 ZINC000172884905 1426238654 /nfs/dbraw/zinc/23/86/54/1426238654.db2.gz BVVACKORVQNJLP-UHFFFAOYSA-N -1 3 387.436 3.412 20 0 GGADHM O=S(=O)([N-]Nc1c(F)cc(F)cc1Br)c1ccccc1F ZINC000172900566 1426246558 /nfs/dbraw/zinc/24/65/58/1426246558.db2.gz DOAQMXFOURPLKA-UHFFFAOYSA-N -1 3 381.173 3.172 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1 ZINC000173002760 1426303887 /nfs/dbraw/zinc/30/38/87/1426303887.db2.gz XGLUFBZNFXPRHG-RYUDHWBXSA-N -1 3 391.390 3.411 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1 ZINC000173002770 1426304101 /nfs/dbraw/zinc/30/41/01/1426304101.db2.gz XGLUFBZNFXPRHG-NEPJUHHUSA-N -1 3 391.390 3.411 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1 ZINC000173002756 1426304173 /nfs/dbraw/zinc/30/41/73/1426304173.db2.gz XGLUFBZNFXPRHG-NWDGAFQWSA-N -1 3 391.390 3.411 20 0 GGADHM COCc1cc(C(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)no1 ZINC000173037006 1426318270 /nfs/dbraw/zinc/31/82/70/1426318270.db2.gz PZTCVGASBBRVSQ-UHFFFAOYSA-N -1 3 385.399 3.197 20 0 GGADHM O=C(Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1)OCC(F)(F)F ZINC000173039298 1426318752 /nfs/dbraw/zinc/31/87/52/1426318752.db2.gz IFNALBMLNDPOLH-UHFFFAOYSA-N -1 3 395.297 3.428 20 0 GGADHM FC(F)(F)COCc1cccc(CNCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826367885 1426332832 /nfs/dbraw/zinc/33/28/32/1426332832.db2.gz RUVXWWOZXGINMI-UHFFFAOYSA-N -1 3 383.399 3.297 20 0 GGADHM FC(F)(F)COCc1cccc(CNCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826367885 1426332838 /nfs/dbraw/zinc/33/28/38/1426332838.db2.gz RUVXWWOZXGINMI-UHFFFAOYSA-N -1 3 383.399 3.297 20 0 GGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cn(Cc4cccs4)nn3)s2)cc1 ZINC000173138884 1426360918 /nfs/dbraw/zinc/36/09/18/1426360918.db2.gz RBNUPRCPYQRMKD-UHFFFAOYSA-N -1 3 396.501 3.391 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3C)c2)cc1 ZINC000173153907 1426368021 /nfs/dbraw/zinc/36/80/21/1426368021.db2.gz HAMLYEDKSSKCNE-OAHLLOKOSA-N -1 3 388.489 3.429 20 0 GGADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nc1 ZINC000173220309 1426401539 /nfs/dbraw/zinc/40/15/39/1426401539.db2.gz LMNZFONYPWNJCC-UHFFFAOYSA-N -1 3 388.836 3.216 20 0 GGADHM CCCC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438571 1426402931 /nfs/dbraw/zinc/40/29/31/1426402931.db2.gz NZJNCBORFAMTAK-BBRMVZONSA-N -1 3 383.456 3.011 20 0 GGADHM CCCC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438571 1426402933 /nfs/dbraw/zinc/40/29/33/1426402933.db2.gz NZJNCBORFAMTAK-BBRMVZONSA-N -1 3 383.456 3.011 20 0 GGADHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853981 1426457921 /nfs/dbraw/zinc/45/79/21/1426457921.db2.gz QUIYRLNQMIBUIE-UHOSZYNNSA-N -1 3 396.539 3.162 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001139094694 1426459612 /nfs/dbraw/zinc/45/96/12/1426459612.db2.gz GGCLBTDJBAAKNJ-UHFFFAOYSA-N -1 3 398.511 3.090 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001139094694 1426459614 /nfs/dbraw/zinc/45/96/14/1426459614.db2.gz GGCLBTDJBAAKNJ-UHFFFAOYSA-N -1 3 398.511 3.090 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2cccc(F)c2)CCCN1c1ccccc1Cl ZINC000173331299 1426512407 /nfs/dbraw/zinc/51/24/07/1426512407.db2.gz XWGLYFDUWWRWJH-MRXNPFEDSA-N -1 3 396.871 3.094 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000825012759 1426526488 /nfs/dbraw/zinc/52/64/88/1426526488.db2.gz LHHUBFHIPVSSBN-CQSZACIVSA-N -1 3 380.521 3.344 20 0 GGADHM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825012759 1426526491 /nfs/dbraw/zinc/52/64/91/1426526491.db2.gz LHHUBFHIPVSSBN-CQSZACIVSA-N -1 3 380.521 3.344 20 0 GGADHM c1ccc(-c2noc(CCN3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)cc1 ZINC000823868351 1426529082 /nfs/dbraw/zinc/52/90/82/1426529082.db2.gz XLXGRPAZQOHLGW-UHFFFAOYSA-N -1 3 399.458 3.249 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)o1 ZINC000173353213 1426529647 /nfs/dbraw/zinc/52/96/47/1426529647.db2.gz RXPTXMGHCYFZRP-SFHVURJKSA-N -1 3 390.461 3.471 20 0 GGADHM COC1CCC(N(C)Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826146383 1426605302 /nfs/dbraw/zinc/60/53/02/1426605302.db2.gz VEBBGAPGCBOOEM-UHFFFAOYSA-N -1 3 380.290 3.019 20 0 GGADHM COC1CCC(N(C)Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000826146383 1426605304 /nfs/dbraw/zinc/60/53/04/1426605304.db2.gz VEBBGAPGCBOOEM-UHFFFAOYSA-N -1 3 380.290 3.019 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000173478062 1426652355 /nfs/dbraw/zinc/65/23/55/1426652355.db2.gz YQISCIPBLOFUJT-IIBYNOLFSA-N -1 3 377.444 3.129 20 0 GGADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000173478079 1426652422 /nfs/dbraw/zinc/65/24/22/1426652422.db2.gz YQISCIPBLOFUJT-IERDGZPVSA-N -1 3 377.444 3.129 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)on1 ZINC000173493459 1426664982 /nfs/dbraw/zinc/66/49/82/1426664982.db2.gz CFALULIFMQZVPZ-UHFFFAOYSA-N -1 3 380.466 3.218 20 0 GGADHM Cc1ccccc1CN1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000822362426 1426707767 /nfs/dbraw/zinc/70/77/67/1426707767.db2.gz SKOATKHWBNURDZ-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1ccccc1CN1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000822362426 1426707769 /nfs/dbraw/zinc/70/77/69/1426707769.db2.gz SKOATKHWBNURDZ-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000173554681 1426726698 /nfs/dbraw/zinc/72/66/98/1426726698.db2.gz RWTOELNKCINXAT-SFHVURJKSA-N -1 3 391.471 3.095 20 0 GGADHM CCc1nc2ccccc2n1CCN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825749243 1426727274 /nfs/dbraw/zinc/72/72/74/1426727274.db2.gz AJPLNQHFKSLWTP-CYBMUJFWSA-N -1 3 379.443 3.269 20 0 GGADHM CCc1nc2ccccc2n1CCN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825749243 1426727276 /nfs/dbraw/zinc/72/72/76/1426727276.db2.gz AJPLNQHFKSLWTP-CYBMUJFWSA-N -1 3 379.443 3.269 20 0 GGADHM O[C@H](CN1CCc2cc(-c3ccccc3)oc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682430 1426769821 /nfs/dbraw/zinc/76/98/21/1426769821.db2.gz PZXMDLSKSAVTRQ-LJQANCHMSA-N -1 3 387.443 3.218 20 0 GGADHM O[C@H](CN1CCc2cc(-c3ccccc3)oc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682430 1426769826 /nfs/dbraw/zinc/76/98/26/1426769826.db2.gz PZXMDLSKSAVTRQ-LJQANCHMSA-N -1 3 387.443 3.218 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820432884 1426770533 /nfs/dbraw/zinc/77/05/33/1426770533.db2.gz TTZDKVGMHUZVKC-AWEZNQCLSA-N -1 3 376.464 3.456 20 0 GGADHM C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432884 1426770540 /nfs/dbraw/zinc/77/05/40/1426770540.db2.gz TTZDKVGMHUZVKC-AWEZNQCLSA-N -1 3 376.464 3.456 20 0 GGADHM O[C@@H](CNC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681214 1426783132 /nfs/dbraw/zinc/78/31/32/1426783132.db2.gz BTOOSCKLROIJHP-INIZCTEOSA-N -1 3 389.381 3.198 20 0 GGADHM CC[C@H]1CN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c2ccccc2O1 ZINC000173612014 1426787716 /nfs/dbraw/zinc/78/77/16/1426787716.db2.gz ALMWNIBFZARRPJ-LBPRGKRZSA-N -1 3 399.472 3.257 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000820758739 1426797386 /nfs/dbraw/zinc/79/73/86/1426797386.db2.gz CJKCCKOLGQMFSI-CHWSQXEVSA-N -1 3 398.433 3.187 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000820758739 1426797389 /nfs/dbraw/zinc/79/73/89/1426797389.db2.gz CJKCCKOLGQMFSI-CHWSQXEVSA-N -1 3 398.433 3.187 20 0 GGADHM CCC[C@H]1[C@H](C)CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000173708844 1426828122 /nfs/dbraw/zinc/82/81/22/1426828122.db2.gz GUOHVELVSWSIOU-YPMHNXCESA-N -1 3 377.510 3.480 20 0 GGADHM CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000173708857 1426828149 /nfs/dbraw/zinc/82/81/49/1426828149.db2.gz GUOHVELVSWSIOU-WCQYABFASA-N -1 3 377.510 3.480 20 0 GGADHM CC[C@@H](NCc1cccc(C(=O)OC)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000825149183 1426846015 /nfs/dbraw/zinc/84/60/15/1426846015.db2.gz WNMLQHYDLIBYFN-MRXNPFEDSA-N -1 3 387.390 3.172 20 0 GGADHM CN(C)C(=O)Cn1cnc([N-]C(=O)c2cc3sc4ccccc4c3s2)n1 ZINC000173782525 1426849967 /nfs/dbraw/zinc/84/99/67/1426849967.db2.gz WSBOVXGSCAGJGL-UHFFFAOYSA-N -1 3 385.474 3.048 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000173807455 1426856846 /nfs/dbraw/zinc/85/68/46/1426856846.db2.gz AIOBBPIONFWDJF-CYBMUJFWSA-N -1 3 379.240 3.194 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000173807440 1426856964 /nfs/dbraw/zinc/85/69/64/1426856964.db2.gz AIOBBPIONFWDJF-ZDUSSCGKSA-N -1 3 379.240 3.194 20 0 GGADHM CCOc1cc(CNCc2ccc(-c3nn[n-]n3)s2)ccc1OC(F)F ZINC000821395583 1426881470 /nfs/dbraw/zinc/88/14/70/1426881470.db2.gz ZZHMVNFKWSUUHS-UHFFFAOYSA-N -1 3 381.408 3.218 20 0 GGADHM CCOc1cc(CNCc2ccc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000821395583 1426881483 /nfs/dbraw/zinc/88/14/83/1426881483.db2.gz ZZHMVNFKWSUUHS-UHFFFAOYSA-N -1 3 381.408 3.218 20 0 GGADHM Clc1cccc(CN2CCCC[C@H]2CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737575315 1426882481 /nfs/dbraw/zinc/88/24/81/1426882481.db2.gz QSWKMLMXSIKDOP-INIZCTEOSA-N -1 3 383.887 3.382 20 0 GGADHM Clc1cccc(CN2CCCC[C@H]2CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737575315 1426882503 /nfs/dbraw/zinc/88/25/03/1426882503.db2.gz QSWKMLMXSIKDOP-INIZCTEOSA-N -1 3 383.887 3.382 20 0 GGADHM c1ccc2c(c1)CC[C@@H](CN1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)C2 ZINC000826513794 1426887214 /nfs/dbraw/zinc/88/72/14/1426887214.db2.gz WHSLRUKTDTYZEF-IERDGZPVSA-N -1 3 375.476 3.045 20 0 GGADHM c1ccc2c(c1)CC[C@@H](CN1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513794 1426887218 /nfs/dbraw/zinc/88/72/18/1426887218.db2.gz WHSLRUKTDTYZEF-IERDGZPVSA-N -1 3 375.476 3.045 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c(F)c1 ZINC000174005485 1426939123 /nfs/dbraw/zinc/93/91/23/1426939123.db2.gz JIRQWLKCWQKAQY-UHFFFAOYSA-N -1 3 397.447 3.094 20 0 GGADHM C[C@H](c1cc(Cl)ccc1Cl)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824763617 1426945581 /nfs/dbraw/zinc/94/55/81/1426945581.db2.gz OBHADJFXICJRLR-SECBINFHSA-N -1 3 395.298 3.104 20 0 GGADHM C[C@H](c1cc(Cl)ccc1Cl)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824763617 1426945585 /nfs/dbraw/zinc/94/55/85/1426945585.db2.gz OBHADJFXICJRLR-SECBINFHSA-N -1 3 395.298 3.104 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(C)ccc3C)n2)c1 ZINC000174033703 1426957292 /nfs/dbraw/zinc/95/72/92/1426957292.db2.gz USVFKQWKLPIHLG-CQSZACIVSA-N -1 3 387.461 3.402 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3C)n2)c1 ZINC000174034528 1426957746 /nfs/dbraw/zinc/95/77/46/1426957746.db2.gz TUMJFRLKQOCKTA-AWEZNQCLSA-N -1 3 387.461 3.234 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3CCCCC3)n2)c1 ZINC000174034558 1426957876 /nfs/dbraw/zinc/95/78/76/1426957876.db2.gz JMJYUBUHUPYZOW-ZDUSSCGKSA-N -1 3 379.482 3.306 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)Cc1cccc(F)c1 ZINC000174063968 1426982624 /nfs/dbraw/zinc/98/26/24/1426982624.db2.gz YKGYOONLIJTOOB-MRXNPFEDSA-N -1 3 384.451 3.085 20 0 GGADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000822757866 1426993275 /nfs/dbraw/zinc/99/32/75/1426993275.db2.gz GQNFKOXUBZSNLE-JTQLQIEISA-N -1 3 395.364 3.127 20 0 GGADHM COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826188628 1426996235 /nfs/dbraw/zinc/99/62/35/1426996235.db2.gz BRLSKMXPIVTPSS-WTOJCKNJSA-N -1 3 385.443 3.441 20 0 GGADHM COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826188628 1426996238 /nfs/dbraw/zinc/99/62/38/1426996238.db2.gz BRLSKMXPIVTPSS-WTOJCKNJSA-N -1 3 385.443 3.441 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232964 1427019704 /nfs/dbraw/zinc/01/97/04/1427019704.db2.gz DQNICBWLDUJAHQ-KEYYUXOJSA-N -1 3 394.454 3.211 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232964 1427019713 /nfs/dbraw/zinc/01/97/13/1427019713.db2.gz DQNICBWLDUJAHQ-KEYYUXOJSA-N -1 3 394.454 3.211 20 0 GGADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)NCc1cc(F)cc(F)c1 ZINC000174152356 1427022350 /nfs/dbraw/zinc/02/23/50/1427022350.db2.gz LLHDVBFUMGGCRR-UHFFFAOYSA-N -1 3 384.382 3.025 20 0 GGADHM Cc1ccc(F)cc1CN1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826289511 1427047121 /nfs/dbraw/zinc/04/71/21/1427047121.db2.gz CXKOIDHCTWZESV-UHFFFAOYSA-N -1 3 394.454 3.165 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000174208970 1427052131 /nfs/dbraw/zinc/05/21/31/1427052131.db2.gz SBOYQQFDFBJMGA-UHFFFAOYSA-N -1 3 377.322 3.453 20 0 GGADHM Clc1cccc(CN2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737576073 1427063207 /nfs/dbraw/zinc/06/32/07/1427063207.db2.gz SZRVTWRMOPRUGP-QGZVFWFLSA-N -1 3 383.887 3.382 20 0 GGADHM Cc1ccc2ccccc2c1CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822280412 1427066269 /nfs/dbraw/zinc/06/62/69/1427066269.db2.gz MQHZSDPWPYAYND-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1ccc2ccccc2c1CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822280412 1427066274 /nfs/dbraw/zinc/06/62/74/1427066274.db2.gz MQHZSDPWPYAYND-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1c([O-])ccc2c(CNc3cccc(N4CCCNC4=O)c3)cc(=O)oc12 ZINC000174279551 1427081935 /nfs/dbraw/zinc/08/19/35/1427081935.db2.gz QSCODIYFCGNVQA-UHFFFAOYSA-N -1 3 379.416 3.339 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1F ZINC000174295735 1427089682 /nfs/dbraw/zinc/08/96/82/1427089682.db2.gz NXWYYEQXACDXFN-CJNGLKHVSA-N -1 3 382.501 3.307 20 0 GGADHM CN(Cc1cccc(Br)c1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821613298 1427144508 /nfs/dbraw/zinc/14/45/08/1427144508.db2.gz HHPVQWFECUXKNE-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM CN(Cc1cccc(Br)c1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821613298 1427144510 /nfs/dbraw/zinc/14/45/10/1427144510.db2.gz HHPVQWFECUXKNE-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736276586 1427152399 /nfs/dbraw/zinc/15/23/99/1427152399.db2.gz ZVWBVCMYWPIOAV-OXQOHEQNSA-N -1 3 385.512 3.305 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736276586 1427152401 /nfs/dbraw/zinc/15/24/01/1427152401.db2.gz ZVWBVCMYWPIOAV-OXQOHEQNSA-N -1 3 385.512 3.305 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000825143998 1427161713 /nfs/dbraw/zinc/16/17/13/1427161713.db2.gz XIXHDOZRABHFSA-QGZVFWFLSA-N -1 3 386.406 3.214 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000825143998 1427161715 /nfs/dbraw/zinc/16/17/15/1427161715.db2.gz XIXHDOZRABHFSA-QGZVFWFLSA-N -1 3 386.406 3.214 20 0 GGADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])s1 ZINC000174522474 1427201895 /nfs/dbraw/zinc/20/18/95/1427201895.db2.gz VGSSLGKVAWTHRZ-CQSZACIVSA-N -1 3 389.521 3.367 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])s1 ZINC000174522483 1427201964 /nfs/dbraw/zinc/20/19/64/1427201964.db2.gz VGSSLGKVAWTHRZ-AWEZNQCLSA-N -1 3 389.521 3.367 20 0 GGADHM COc1ccc(COCCN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826206780 1427211347 /nfs/dbraw/zinc/21/13/47/1427211347.db2.gz KXMZQLAEVWPRTF-UHFFFAOYSA-N -1 3 391.475 3.181 20 0 GGADHM COc1ccc(COCCN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826206780 1427211355 /nfs/dbraw/zinc/21/13/55/1427211355.db2.gz KXMZQLAEVWPRTF-UHFFFAOYSA-N -1 3 391.475 3.181 20 0 GGADHM CCO[C@H](C)c1nc(CN2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cs1 ZINC000174548095 1427217711 /nfs/dbraw/zinc/21/77/11/1427217711.db2.gz FGQBXLVTASZXMJ-OAHLLOKOSA-N -1 3 389.521 3.213 20 0 GGADHM Cc1ccc(-n2[n-]c(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc2=O)cc1 ZINC000174553680 1427221248 /nfs/dbraw/zinc/22/12/48/1427221248.db2.gz CAWGARMYFNOBHD-OAQYLSRUSA-N -1 3 390.487 3.041 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(F)F)c2)cc1 ZINC000174557422 1427222926 /nfs/dbraw/zinc/22/29/26/1427222926.db2.gz JGZWLKMACIZGSU-UHFFFAOYSA-N -1 3 398.431 3.189 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(F)F)ccc2C)cc1 ZINC000174566872 1427227820 /nfs/dbraw/zinc/22/78/20/1427227820.db2.gz GQYIZRIVPNFMRU-UHFFFAOYSA-N -1 3 398.431 3.189 20 0 GGADHM Cc1ccccc1OCCN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737431194 1427234418 /nfs/dbraw/zinc/23/44/18/1427234418.db2.gz FYQVCMZSUDBBKO-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM Cc1ccccc1OCCN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737431194 1427234424 /nfs/dbraw/zinc/23/44/24/1427234424.db2.gz FYQVCMZSUDBBKO-UHFFFAOYSA-N -1 3 379.464 3.097 20 0 GGADHM Cc1csc([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)n1 ZINC000174606166 1427257059 /nfs/dbraw/zinc/25/70/59/1427257059.db2.gz DTTNMFJYWLPKKE-DOTOQJQBSA-N -1 3 399.516 3.168 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)n1 ZINC000174606128 1427257359 /nfs/dbraw/zinc/25/73/59/1427257359.db2.gz DTTNMFJYWLPKKE-WBVHZDCISA-N -1 3 399.516 3.168 20 0 GGADHM CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000174608118 1427259282 /nfs/dbraw/zinc/25/92/82/1427259282.db2.gz JMKQZFOQTZEFJO-FQEVSTJZSA-N -1 3 390.439 3.102 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094814 1427282799 /nfs/dbraw/zinc/28/27/99/1427282799.db2.gz IQUOZLXKPSASAC-BZSNNMDCSA-N -1 3 383.496 3.342 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094814 1427282802 /nfs/dbraw/zinc/28/28/02/1427282802.db2.gz IQUOZLXKPSASAC-BZSNNMDCSA-N -1 3 383.496 3.342 20 0 GGADHM O=C(CCN1CCC[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737844732 1427308545 /nfs/dbraw/zinc/30/85/45/1427308545.db2.gz VOQCYBYCTSLSDR-GOSISDBHSA-N -1 3 398.417 3.311 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)ccc1C ZINC000174742142 1427343440 /nfs/dbraw/zinc/34/34/40/1427343440.db2.gz GXRSABFYHFOZLD-UHFFFAOYSA-N -1 3 396.881 3.412 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCCc4ccccc43)nc(=O)c2c1C ZINC000174803159 1427377646 /nfs/dbraw/zinc/37/76/46/1427377646.db2.gz USBSCMKKMZFNFD-UHFFFAOYSA-N -1 3 383.473 3.423 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174875651 1427422016 /nfs/dbraw/zinc/42/20/16/1427422016.db2.gz IWUYDBJWYYNWMI-UHFFFAOYSA-N -1 3 380.441 3.123 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1cccc(CN2CCSCC2)c1 ZINC000737559427 1427425026 /nfs/dbraw/zinc/42/50/26/1427425026.db2.gz XCVHPCNSZVQFDP-UHFFFAOYSA-N -1 3 387.900 3.208 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1cccc(CN2CCSCC2)c1 ZINC000737559427 1427425032 /nfs/dbraw/zinc/42/50/32/1427425032.db2.gz XCVHPCNSZVQFDP-UHFFFAOYSA-N -1 3 387.900 3.208 20 0 GGADHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1C ZINC000174885907 1427427559 /nfs/dbraw/zinc/42/75/59/1427427559.db2.gz YWJJULFFWJJFHN-UHFFFAOYSA-N -1 3 380.441 3.123 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H](C)c1ccccc1 ZINC000174889407 1427429046 /nfs/dbraw/zinc/42/90/46/1427429046.db2.gz HHZJBSNGIWFETN-IAGOWNOFSA-N -1 3 381.476 3.052 20 0 GGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174889453 1427429096 /nfs/dbraw/zinc/42/90/96/1427429096.db2.gz HHZJBSNGIWFETN-IRXDYDNUSA-N -1 3 381.476 3.052 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000738178233 1427477766 /nfs/dbraw/zinc/47/77/66/1427477766.db2.gz HVOLZLYDKSLGSL-LJQANCHMSA-N -1 3 391.479 3.215 20 0 GGADHM CN(C)Cc1ccnc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000174989726 1427482545 /nfs/dbraw/zinc/48/25/45/1427482545.db2.gz SQLKZSNXARDDIW-UHFFFAOYSA-N -1 3 388.522 3.155 20 0 GGADHM COCCCOc1cc(C)ccc1CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826157523 1427485229 /nfs/dbraw/zinc/48/52/29/1427485229.db2.gz YUZRLHZTFOJEMS-MRXNPFEDSA-N -1 3 381.480 3.441 20 0 GGADHM COCCCOc1cc(C)ccc1CN[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826157523 1427485230 /nfs/dbraw/zinc/48/52/30/1427485230.db2.gz YUZRLHZTFOJEMS-MRXNPFEDSA-N -1 3 381.480 3.441 20 0 GGADHM C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486733 1427508457 /nfs/dbraw/zinc/50/84/57/1427508457.db2.gz CNVTUOABVQDTTR-MRXNPFEDSA-N -1 3 391.475 3.383 20 0 GGADHM C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486733 1427508463 /nfs/dbraw/zinc/50/84/63/1427508463.db2.gz CNVTUOABVQDTTR-MRXNPFEDSA-N -1 3 391.475 3.383 20 0 GGADHM O=C(NCC1CC1)C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000175068762 1427529560 /nfs/dbraw/zinc/52/95/60/1427529560.db2.gz XWBVTQQHRHRXBO-UHFFFAOYSA-N -1 3 391.320 3.111 20 0 GGADHM CNC(=O)c1ccc(CNCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826068680 1427561023 /nfs/dbraw/zinc/56/10/23/1427561023.db2.gz WGHFBQCHWYMZTK-UHFFFAOYSA-N -1 3 398.470 3.183 20 0 GGADHM CNC(=O)c1ccc(CNCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826068680 1427561026 /nfs/dbraw/zinc/56/10/26/1427561026.db2.gz WGHFBQCHWYMZTK-UHFFFAOYSA-N -1 3 398.470 3.183 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000735560270 1427588777 /nfs/dbraw/zinc/58/87/77/1427588777.db2.gz DFCBLZOLXSEFNU-HIFRSBDPSA-N -1 3 396.882 3.337 20 0 GGADHM CC(C)(C)Oc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000175192139 1427592086 /nfs/dbraw/zinc/59/20/86/1427592086.db2.gz WQZAMPAJBPRFIU-UHFFFAOYSA-N -1 3 382.460 3.168 20 0 GGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCSC2(CCCCC2)C1 ZINC000175281709 1427645953 /nfs/dbraw/zinc/64/59/53/1427645953.db2.gz DZHAOEPCVFBCFM-QGZVFWFLSA-N -1 3 388.533 3.275 20 0 GGADHM CC(C)=CCOc1cccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000175304908 1427664098 /nfs/dbraw/zinc/66/40/98/1427664098.db2.gz AUEDOBDJFRVMSF-UHFFFAOYSA-N -1 3 394.471 3.335 20 0 GGADHM Cc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1C ZINC000175304970 1427664855 /nfs/dbraw/zinc/66/48/55/1427664855.db2.gz WNZDQGHSXXJGEG-UHFFFAOYSA-N -1 3 377.444 3.089 20 0 GGADHM CN(CCNc1nc2ccccc2cc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000821602441 1427677281 /nfs/dbraw/zinc/67/72/81/1427677281.db2.gz CAJGPAMGHWMMGA-UHFFFAOYSA-N -1 3 377.427 3.098 20 0 GGADHM CN(CCNc1nc2ccccc2cc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821602441 1427677284 /nfs/dbraw/zinc/67/72/84/1427677284.db2.gz CAJGPAMGHWMMGA-UHFFFAOYSA-N -1 3 377.427 3.098 20 0 GGADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826369678 1427679656 /nfs/dbraw/zinc/67/96/56/1427679656.db2.gz MIABIEXHRSQWMZ-KGLIPLIRSA-N -1 3 393.438 3.107 20 0 GGADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826369678 1427679657 /nfs/dbraw/zinc/67/96/57/1427679657.db2.gz MIABIEXHRSQWMZ-KGLIPLIRSA-N -1 3 393.438 3.107 20 0 GGADHM Fc1cccc(CC2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)c1 ZINC000826376520 1427697918 /nfs/dbraw/zinc/69/79/18/1427697918.db2.gz HOXJGZWAICCZLZ-UHFFFAOYSA-N -1 3 391.454 3.108 20 0 GGADHM Fc1cccc(CC2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)c1 ZINC000826376520 1427697921 /nfs/dbraw/zinc/69/79/21/1427697921.db2.gz HOXJGZWAICCZLZ-UHFFFAOYSA-N -1 3 391.454 3.108 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825323078 1427700896 /nfs/dbraw/zinc/70/08/96/1427700896.db2.gz NXNIDUQIHGNASL-QGZVFWFLSA-N -1 3 392.507 3.265 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825323078 1427700898 /nfs/dbraw/zinc/70/08/98/1427700898.db2.gz NXNIDUQIHGNASL-QGZVFWFLSA-N -1 3 392.507 3.265 20 0 GGADHM Clc1ccc2oc(C3CCN(Cc4ccnc(-c5nnn[n-]5)c4)CC3)nc2c1 ZINC000826353044 1427714798 /nfs/dbraw/zinc/71/47/98/1427714798.db2.gz YWMGYRGQNDMREJ-UHFFFAOYSA-N -1 3 395.854 3.436 20 0 GGADHM Clc1ccc2oc(C3CCN(Cc4ccnc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000826353044 1427714801 /nfs/dbraw/zinc/71/48/01/1427714801.db2.gz YWMGYRGQNDMREJ-UHFFFAOYSA-N -1 3 395.854 3.436 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000738387992 1427726769 /nfs/dbraw/zinc/72/67/69/1427726769.db2.gz RATLGFNAOXEKBL-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738387992 1427726772 /nfs/dbraw/zinc/72/67/72/1427726772.db2.gz RATLGFNAOXEKBL-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM C[C@H](NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824598816 1427727464 /nfs/dbraw/zinc/72/74/64/1427727464.db2.gz JKTQDPDSBWCBMW-VIFPVBQESA-N -1 3 396.257 3.470 20 0 GGADHM C[C@H](NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824598816 1427727465 /nfs/dbraw/zinc/72/74/65/1427727465.db2.gz JKTQDPDSBWCBMW-VIFPVBQESA-N -1 3 396.257 3.470 20 0 GGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000175441573 1427757125 /nfs/dbraw/zinc/75/71/25/1427757125.db2.gz KJFHSRBGKLEZOZ-OAHLLOKOSA-N -1 3 380.444 3.157 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1ccc(Br)s1 ZINC000175443640 1427757189 /nfs/dbraw/zinc/75/71/89/1427757189.db2.gz KJRPOMJKDFQWHK-RISCZKNCSA-N -1 3 388.308 3.319 20 0 GGADHM COc1ccc2sc(C(=O)NCCNC(=O)c3ccc([O-])cc3)c(C)c2c1 ZINC000175485770 1427782211 /nfs/dbraw/zinc/78/22/11/1427782211.db2.gz ACXKFFRGRAPIOS-UHFFFAOYSA-N -1 3 384.457 3.084 20 0 GGADHM Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000175487321 1427783163 /nfs/dbraw/zinc/78/31/63/1427783163.db2.gz QNSOFGGBTFGWJU-UHFFFAOYSA-N -1 3 399.834 3.169 20 0 GGADHM O=C(CCc1ccoc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175549817 1427812079 /nfs/dbraw/zinc/81/20/79/1427812079.db2.gz SERQXHUVYKSOKO-UHFFFAOYSA-N -1 3 376.840 3.449 20 0 GGADHM O=C(NC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000175551886 1427812478 /nfs/dbraw/zinc/81/24/78/1427812478.db2.gz FUYCQHAIOHNCBR-KRWDZBQOSA-N -1 3 385.439 3.025 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c(C)o1 ZINC000175571241 1427818731 /nfs/dbraw/zinc/81/87/31/1427818731.db2.gz HCSQGZBOZNPPGS-UHFFFAOYSA-N -1 3 391.449 3.187 20 0 GGADHM Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3cc(Cl)ccc3[O-])cc12 ZINC000175615583 1427832632 /nfs/dbraw/zinc/83/26/32/1427832632.db2.gz WPLRXPYVKUVMNU-VIFPVBQESA-N -1 3 392.868 3.059 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737891225 1427848180 /nfs/dbraw/zinc/84/81/80/1427848180.db2.gz IXZSPEJYILNJHY-FQEVSTJZSA-N -1 3 376.464 3.326 20 0 GGADHM O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737891225 1427848187 /nfs/dbraw/zinc/84/81/87/1427848187.db2.gz IXZSPEJYILNJHY-FQEVSTJZSA-N -1 3 376.464 3.326 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c(C)o1 ZINC000175674493 1427852654 /nfs/dbraw/zinc/85/26/54/1427852654.db2.gz NEJAVSYXRMFJTR-MRXNPFEDSA-N -1 3 382.457 3.152 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC(F)F)ccc1F ZINC000175696530 1427861637 /nfs/dbraw/zinc/86/16/37/1427861637.db2.gz CPKPNQBKSIORDI-UHFFFAOYSA-N -1 3 390.408 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(Cc2ccccc2)no1 ZINC000175704833 1427865100 /nfs/dbraw/zinc/86/51/00/1427865100.db2.gz FOUPQYSTYJCKSN-CQSZACIVSA-N -1 3 383.473 3.189 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1nc(Cc2ccccc2)no1 ZINC000175706378 1427865621 /nfs/dbraw/zinc/86/56/21/1427865621.db2.gz UVPVMSRIXLDOLP-CQSZACIVSA-N -1 3 394.456 3.248 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000175718304 1427868756 /nfs/dbraw/zinc/86/87/56/1427868756.db2.gz CMQXJENUYNEPHB-MRXNPFEDSA-N -1 3 396.871 3.365 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000175767522 1427885445 /nfs/dbraw/zinc/88/54/45/1427885445.db2.gz JMWUWSFDGCIIJE-UHFFFAOYSA-N -1 3 398.850 3.184 20 0 GGADHM C[C@@H](OCC1CC1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768838 1427886089 /nfs/dbraw/zinc/88/60/89/1427886089.db2.gz INWJRICXNMYRDG-GFCCVEGCSA-N -1 3 380.872 3.038 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(CCC(F)(F)F)cc3)ccc2N1 ZINC000175777037 1427889106 /nfs/dbraw/zinc/88/91/06/1427889106.db2.gz RLPAZPAGWNDBNG-UHFFFAOYSA-N -1 3 384.379 3.477 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)(F)F)c(F)cc1F ZINC000175783912 1427891389 /nfs/dbraw/zinc/89/13/89/1427891389.db2.gz QMUMHJXILNMEEZ-UHFFFAOYSA-N -1 3 396.337 3.088 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)nc2)c(F)cc1F ZINC000175785005 1427891985 /nfs/dbraw/zinc/89/19/85/1427891985.db2.gz CQZJATAGLJBIED-UHFFFAOYSA-N -1 3 396.337 3.088 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCOC3=O)c2)c(F)cc1F ZINC000175789625 1427893566 /nfs/dbraw/zinc/89/35/66/1427893566.db2.gz KSGBXSYZQJPQLH-GFCCVEGCSA-N -1 3 396.415 3.269 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cc(C(C)C)ccc32)c(C)o1 ZINC000175798028 1427896628 /nfs/dbraw/zinc/89/66/28/1427896628.db2.gz QAFHOZKRIUIDOX-UHFFFAOYSA-N -1 3 376.478 3.213 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c(C)o1 ZINC000175830437 1427916758 /nfs/dbraw/zinc/91/67/58/1427916758.db2.gz OKTOOYAQEUTQGJ-UHFFFAOYSA-N -1 3 389.433 3.020 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)oc1C ZINC000175834294 1427918558 /nfs/dbraw/zinc/91/85/58/1427918558.db2.gz QLIVWWAZCDGOQF-LLVKDONJSA-N -1 3 390.417 3.069 20 0 GGADHM CN(Cc1cccc(OCc2ccccn2)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825981372 1427932969 /nfs/dbraw/zinc/93/29/69/1427932969.db2.gz RAOZHRASNDPHMG-UHFFFAOYSA-N -1 3 386.459 3.473 20 0 GGADHM CN(Cc1cccc(OCc2ccccn2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825981372 1427932973 /nfs/dbraw/zinc/93/29/73/1427932973.db2.gz RAOZHRASNDPHMG-UHFFFAOYSA-N -1 3 386.459 3.473 20 0 GGADHM COCCCOc1cc(C)ccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687627 1427955264 /nfs/dbraw/zinc/95/52/64/1427955264.db2.gz HZUUZLMRGCCTST-MRXNPFEDSA-N -1 3 381.480 3.441 20 0 GGADHM CS(=O)(=O)C1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000175941260 1427986388 /nfs/dbraw/zinc/98/63/88/1427986388.db2.gz UHBOSOVVWDVOKT-UHFFFAOYSA-N -1 3 387.501 3.069 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC(F)F)c2)c(C)o1 ZINC000175966684 1428002739 /nfs/dbraw/zinc/00/27/39/1428002739.db2.gz DHIGDRPSSSEZPB-UHFFFAOYSA-N -1 3 376.406 3.063 20 0 GGADHM Cc1nc(C)c(CCC(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2C)c(=O)[n-]1 ZINC000176049782 1428050083 /nfs/dbraw/zinc/05/00/83/1428050083.db2.gz MAKNGMYHFDWZPR-LLVKDONJSA-N -1 3 388.855 3.164 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Nc3ccccc3)c2)c(C)o1 ZINC000176062072 1428060362 /nfs/dbraw/zinc/06/03/62/1428060362.db2.gz ZPGHWPKWRHKRRW-UHFFFAOYSA-N -1 3 385.445 3.492 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2C)c(C)o1 ZINC000176064719 1428062596 /nfs/dbraw/zinc/06/25/96/1428062596.db2.gz DQBDEVVQJJAAPF-KRWDZBQOSA-N -1 3 378.494 3.322 20 0 GGADHM CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000176094333 1428079529 /nfs/dbraw/zinc/07/95/29/1428079529.db2.gz FXNWYVBGKKJQHP-UHFFFAOYSA-N -1 3 384.343 3.156 20 0 GGADHM CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000176094333 1428079539 /nfs/dbraw/zinc/07/95/39/1428079539.db2.gz FXNWYVBGKKJQHP-UHFFFAOYSA-N -1 3 384.343 3.156 20 0 GGADHM CCOCCOc1cc(C)ccc1CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825605328 1428081208 /nfs/dbraw/zinc/08/12/08/1428081208.db2.gz VELRHXBSEXYTMD-MRXNPFEDSA-N -1 3 381.480 3.441 20 0 GGADHM CCOCCOc1cc(C)ccc1CN[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825605328 1428081218 /nfs/dbraw/zinc/08/12/18/1428081218.db2.gz VELRHXBSEXYTMD-MRXNPFEDSA-N -1 3 381.480 3.441 20 0 GGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000176110078 1428088501 /nfs/dbraw/zinc/08/85/01/1428088501.db2.gz BTWPNGHBHIMAKJ-SFHVURJKSA-N -1 3 395.503 3.108 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)c(C)o1 ZINC000176120949 1428095821 /nfs/dbraw/zinc/09/58/21/1428095821.db2.gz BZOXWAZZBLJNFZ-HNNXBMFYSA-N -1 3 380.466 3.155 20 0 GGADHM CSc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983436 1428109030 /nfs/dbraw/zinc/10/90/30/1428109030.db2.gz HNGVXDRSEZUNBB-STQMWFEESA-N -1 3 382.493 3.266 20 0 GGADHM CSc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983436 1428109035 /nfs/dbraw/zinc/10/90/35/1428109035.db2.gz HNGVXDRSEZUNBB-STQMWFEESA-N -1 3 382.493 3.266 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(NC3CCCC3)c2)c(C)o1 ZINC000176142334 1428114146 /nfs/dbraw/zinc/11/41/46/1428114146.db2.gz CHNNDWXMDITRBU-UHFFFAOYSA-N -1 3 377.466 3.103 20 0 GGADHM Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000826283703 1428115238 /nfs/dbraw/zinc/11/52/38/1428115238.db2.gz YENOZFCKBUCJMR-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000826283703 1428115241 /nfs/dbraw/zinc/11/52/41/1428115241.db2.gz YENOZFCKBUCJMR-CYBMUJFWSA-N -1 3 384.871 3.426 20 0 GGADHM COc1cccc(Cl)c1CNC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737132390 1428121723 /nfs/dbraw/zinc/12/17/23/1428121723.db2.gz LPWITEYXIPWIDV-UHFFFAOYSA-N -1 3 398.898 3.287 20 0 GGADHM COc1cccc(Cl)c1CNC1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737132390 1428121731 /nfs/dbraw/zinc/12/17/31/1428121731.db2.gz LPWITEYXIPWIDV-UHFFFAOYSA-N -1 3 398.898 3.287 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)c(C)o1 ZINC000176155245 1428124842 /nfs/dbraw/zinc/12/48/42/1428124842.db2.gz XGHHUUIFDDUTEP-AWEZNQCLSA-N -1 3 390.505 3.500 20 0 GGADHM COc1ccccc1[C@@H]1CCCCN1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737146648 1428136881 /nfs/dbraw/zinc/13/68/81/1428136881.db2.gz IOTMPYFRDYNAEN-IBGZPJMESA-N -1 3 379.464 3.481 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC[C@H]1c1ccccc1 ZINC000176212350 1428171462 /nfs/dbraw/zinc/17/14/62/1428171462.db2.gz WEFQLSGEAMMNOM-NVXWUHKLSA-N -1 3 390.505 3.152 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000176234710 1428182827 /nfs/dbraw/zinc/18/28/27/1428182827.db2.gz CLSXZFFJMWXQNC-UHFFFAOYSA-N -1 3 396.535 3.112 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000176250102 1428195838 /nfs/dbraw/zinc/19/58/38/1428195838.db2.gz LNXKWNAYLNBNMG-QGZVFWFLSA-N -1 3 392.521 3.288 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(F)c(F)c1 ZINC000180183752 1429788401 /nfs/dbraw/zinc/78/84/01/1429788401.db2.gz QFVIRDIPVAECPB-NSHDSACASA-N -1 3 397.230 3.333 20 0 GGADHM CC(C)(C)C[C@@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180186096 1429789885 /nfs/dbraw/zinc/78/98/85/1429789885.db2.gz MMTYKZPHVURERM-ICSRJNTNSA-N -1 3 398.503 3.167 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C2CCCCC2)C(F)(F)F)c(C)o1 ZINC000180222210 1429806573 /nfs/dbraw/zinc/80/65/73/1429806573.db2.gz VGJJYWYXIJZUQB-CYBMUJFWSA-N -1 3 383.388 3.164 20 0 GGADHM Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822323253 1429834028 /nfs/dbraw/zinc/83/40/28/1429834028.db2.gz BJYLRVNGGJNYLC-CYBMUJFWSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822323253 1429834034 /nfs/dbraw/zinc/83/40/34/1429834034.db2.gz BJYLRVNGGJNYLC-CYBMUJFWSA-N -1 3 382.443 3.130 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180332321 1429837845 /nfs/dbraw/zinc/83/78/45/1429837845.db2.gz SVWKKNGJZOLPKB-UHFFFAOYSA-N -1 3 381.783 3.482 20 0 GGADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000180350565 1429842903 /nfs/dbraw/zinc/84/29/03/1429842903.db2.gz WDCMOQUGNMUCQK-MRXNPFEDSA-N -1 3 388.345 3.470 20 0 GGADHM Cc1cc(NC(=O)NN=c2ccc(Cl)n[n-]2)nn1-c1cccc(Cl)c1 ZINC000180398047 1429856771 /nfs/dbraw/zinc/85/67/71/1429856771.db2.gz QSNSXISQXWYJJQ-UHFFFAOYSA-N -1 3 378.223 3.426 20 0 GGADHM CN(CCCc1cc(-c2ccccc2)no1)CC(=O)[N-]OCc1ccccc1 ZINC000180462332 1429875102 /nfs/dbraw/zinc/87/51/02/1429875102.db2.gz WDBSLXKJBKWGHK-UHFFFAOYSA-N -1 3 379.460 3.454 20 0 GGADHM O=C([N-]NC(=S)Nc1ccccn1)c1cccc(Br)c1Cl ZINC000180484966 1429880319 /nfs/dbraw/zinc/88/03/19/1429880319.db2.gz QUPACFGNBUDJHZ-UHFFFAOYSA-N -1 3 385.674 3.129 20 0 GGADHM COc1cc([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821708356 1429882023 /nfs/dbraw/zinc/88/20/23/1429882023.db2.gz NUPZVRBIXUKPIB-STQMWFEESA-N -1 3 383.452 3.304 20 0 GGADHM COc1cc([C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821708356 1429882029 /nfs/dbraw/zinc/88/20/29/1429882029.db2.gz NUPZVRBIXUKPIB-STQMWFEESA-N -1 3 383.452 3.304 20 0 GGADHM O=C(NNc1ccncc1)c1cc(Br)c([O-])c(Br)c1 ZINC000180510876 1429886164 /nfs/dbraw/zinc/88/61/64/1429886164.db2.gz YLPHLVVSVKBLIY-UHFFFAOYSA-N -1 3 387.031 3.069 20 0 GGADHM O=C(CNC1(c2ccc(Br)cc2)CC1)[N-]OCc1ccccc1 ZINC000180521553 1429888562 /nfs/dbraw/zinc/88/85/62/1429888562.db2.gz HTKVLWYSRYEUKW-UHFFFAOYSA-N -1 3 375.266 3.276 20 0 GGADHM C[C@H](NCCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000826232312 1429921867 /nfs/dbraw/zinc/92/18/67/1429921867.db2.gz ZCKXTLMBRIUIER-JTQLQIEISA-N -1 3 376.873 3.261 20 0 GGADHM C[C@H](NCCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000826232312 1429921868 /nfs/dbraw/zinc/92/18/68/1429921868.db2.gz ZCKXTLMBRIUIER-JTQLQIEISA-N -1 3 376.873 3.261 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821701918 1429954966 /nfs/dbraw/zinc/95/49/66/1429954966.db2.gz AIZDFIXTSDMJCO-RDTXWAMCSA-N -1 3 397.454 3.476 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821701918 1429954969 /nfs/dbraw/zinc/95/49/69/1429954969.db2.gz AIZDFIXTSDMJCO-RDTXWAMCSA-N -1 3 397.454 3.476 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(C)c1 ZINC000822228627 1429980468 /nfs/dbraw/zinc/98/04/68/1429980468.db2.gz ASURFFLOHKHBLE-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(C)c1 ZINC000822228627 1429980472 /nfs/dbraw/zinc/98/04/72/1429980472.db2.gz ASURFFLOHKHBLE-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000180776442 1430033112 /nfs/dbraw/zinc/03/31/12/1430033112.db2.gz MSHNOHYMHXEGGN-UHFFFAOYSA-N -1 3 398.438 3.047 20 0 GGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000824991493 1430038249 /nfs/dbraw/zinc/03/82/49/1430038249.db2.gz BNGYVGMWYHRHOR-OAHLLOKOSA-N -1 3 385.475 3.387 20 0 GGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000824991493 1430038253 /nfs/dbraw/zinc/03/82/53/1430038253.db2.gz BNGYVGMWYHRHOR-OAHLLOKOSA-N -1 3 385.475 3.387 20 0 GGADHM CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824348049 1430050863 /nfs/dbraw/zinc/05/08/63/1430050863.db2.gz XWNCJPVDEHHSFQ-OAHLLOKOSA-N -1 3 399.520 3.115 20 0 GGADHM CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348049 1430050866 /nfs/dbraw/zinc/05/08/66/1430050866.db2.gz XWNCJPVDEHHSFQ-OAHLLOKOSA-N -1 3 399.520 3.115 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1ccc3c(c1)C(=O)[N-]C3=O)CC2 ZINC000180816512 1430055877 /nfs/dbraw/zinc/05/58/77/1430055877.db2.gz SETLIPRIXWTUOO-UHFFFAOYSA-N -1 3 377.444 3.458 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000180851456 1430069825 /nfs/dbraw/zinc/06/98/25/1430069825.db2.gz PYXSSYPOXJSQHE-ZDUSSCGKSA-N -1 3 383.379 3.307 20 0 GGADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000180851330 1430069988 /nfs/dbraw/zinc/06/99/88/1430069988.db2.gz DATDHNMLXHGEHZ-OAHLLOKOSA-N -1 3 378.222 3.074 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1[O-] ZINC000180886884 1430089792 /nfs/dbraw/zinc/08/97/92/1430089792.db2.gz ZVUIMPBGMYKGGW-GFCCVEGCSA-N -1 3 399.369 3.102 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)[n-]n1 ZINC000180929821 1430120605 /nfs/dbraw/zinc/12/06/05/1430120605.db2.gz QULPEGJACQAOIG-UHFFFAOYSA-N -1 3 397.435 3.331 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)n[n-]1 ZINC000180929821 1430120609 /nfs/dbraw/zinc/12/06/09/1430120609.db2.gz QULPEGJACQAOIG-UHFFFAOYSA-N -1 3 397.435 3.331 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)[n-]n1 ZINC000180929694 1430120752 /nfs/dbraw/zinc/12/07/52/1430120752.db2.gz KVYSVTMYENQCFU-UHFFFAOYSA-N -1 3 390.346 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n[n-]1 ZINC000180929694 1430120754 /nfs/dbraw/zinc/12/07/54/1430120754.db2.gz KVYSVTMYENQCFU-UHFFFAOYSA-N -1 3 390.346 3.091 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2NC1=O ZINC000821000584 1430125845 /nfs/dbraw/zinc/12/58/45/1430125845.db2.gz GTWQDLQJRHBDRN-VBHSOAQHSA-N -1 3 392.463 3.388 20 0 GGADHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2NC1=O ZINC000821000584 1430125848 /nfs/dbraw/zinc/12/58/48/1430125848.db2.gz GTWQDLQJRHBDRN-VBHSOAQHSA-N -1 3 392.463 3.388 20 0 GGADHM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000180966372 1430140746 /nfs/dbraw/zinc/14/07/46/1430140746.db2.gz UYSDLBLKCIHCKH-UHFFFAOYSA-N -1 3 385.370 3.091 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000180973281 1430144941 /nfs/dbraw/zinc/14/49/41/1430144941.db2.gz HIMCTQAICCSRRL-UHFFFAOYSA-N -1 3 397.953 3.393 20 0 GGADHM CC[C@H](CSC)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000180977549 1430148279 /nfs/dbraw/zinc/14/82/79/1430148279.db2.gz OPZUOYAXNZBRKE-CYBMUJFWSA-N -1 3 390.546 3.116 20 0 GGADHM C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471997 1430165546 /nfs/dbraw/zinc/16/55/46/1430165546.db2.gz TZEUVGUECGRMBK-OAHLLOKOSA-N -1 3 390.491 3.195 20 0 GGADHM C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471997 1430165551 /nfs/dbraw/zinc/16/55/51/1430165551.db2.gz TZEUVGUECGRMBK-OAHLLOKOSA-N -1 3 390.491 3.195 20 0 GGADHM CN(C)[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(F)cc1 ZINC000825848306 1430173715 /nfs/dbraw/zinc/17/37/15/1430173715.db2.gz CBUQATHUIIFUKS-SFHVURJKSA-N -1 3 377.427 3.269 20 0 GGADHM CN(C)[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(F)cc1 ZINC000825848306 1430173720 /nfs/dbraw/zinc/17/37/20/1430173720.db2.gz CBUQATHUIIFUKS-SFHVURJKSA-N -1 3 377.427 3.269 20 0 GGADHM COc1cc(CNCc2cc(-c3nn[n-]n3)cs2)ccc1OCC(F)(F)F ZINC000821717205 1430176241 /nfs/dbraw/zinc/17/62/41/1430176241.db2.gz KYEDFRWNLWRXLZ-UHFFFAOYSA-N -1 3 399.398 3.168 20 0 GGADHM COc1cc(CNCc2cc(-c3nnn[n-]3)cs2)ccc1OCC(F)(F)F ZINC000821717205 1430176246 /nfs/dbraw/zinc/17/62/46/1430176246.db2.gz KYEDFRWNLWRXLZ-UHFFFAOYSA-N -1 3 399.398 3.168 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)cn1 ZINC000181054400 1430188263 /nfs/dbraw/zinc/18/82/63/1430188263.db2.gz RXZFAGCIAPFKDW-UHFFFAOYSA-N -1 3 375.494 3.185 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000822190827 1430204146 /nfs/dbraw/zinc/20/41/46/1430204146.db2.gz BSJFHOYHWOUBQV-OAHLLOKOSA-N -1 3 397.914 3.415 20 0 GGADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1-c1ccccc1Cl ZINC000181102320 1430211039 /nfs/dbraw/zinc/21/10/39/1430211039.db2.gz SESDFYRGHFOYII-CYBMUJFWSA-N -1 3 379.807 3.190 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1COC2(CCCCC2)O1 ZINC000181116029 1430215880 /nfs/dbraw/zinc/21/58/80/1430215880.db2.gz USRDJELRRFPIJZ-ZDUSSCGKSA-N -1 3 399.285 3.030 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1Cl ZINC000181133491 1430221033 /nfs/dbraw/zinc/22/10/33/1430221033.db2.gz PWZFBTFXFBJSAY-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c(C)c1F ZINC000181146575 1430226139 /nfs/dbraw/zinc/22/61/39/1430226139.db2.gz DKGTVLCKOVIUPW-UHFFFAOYSA-N -1 3 378.425 3.218 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)c(C)c1F ZINC000181148653 1430227211 /nfs/dbraw/zinc/22/72/11/1430227211.db2.gz GCLMMLXDYXQTAY-ZDUSSCGKSA-N -1 3 394.468 3.169 20 0 GGADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3C)ccc2[nH]1 ZINC000181156997 1430231131 /nfs/dbraw/zinc/23/11/31/1430231131.db2.gz HLWNSDJOHLHOET-UHFFFAOYSA-N -1 3 390.436 3.347 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000181200260 1430246284 /nfs/dbraw/zinc/24/62/84/1430246284.db2.gz BWGUPKBVMMCGQZ-NSHDSACASA-N -1 3 381.398 3.086 20 0 GGADHM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000181344144 1430278420 /nfs/dbraw/zinc/27/84/20/1430278420.db2.gz AOWQFSZNIYBXEP-OAHLLOKOSA-N -1 3 383.276 3.235 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@H]1CCCCO1 ZINC000181371884 1430283878 /nfs/dbraw/zinc/28/38/78/1430283878.db2.gz QSHXUAROEOUSGK-RTWAWAEBSA-N -1 3 396.487 3.329 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000181397275 1430288299 /nfs/dbraw/zinc/28/82/99/1430288299.db2.gz MDUTXPFPMWODEQ-CYBMUJFWSA-N -1 3 399.275 3.274 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000181397257 1430288498 /nfs/dbraw/zinc/28/84/98/1430288498.db2.gz MDUTXPFPMWODEQ-ZDUSSCGKSA-N -1 3 399.275 3.274 20 0 GGADHM C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1cccc(N2CCCC2=O)c1 ZINC000181420289 1430294419 /nfs/dbraw/zinc/29/44/19/1430294419.db2.gz VAFQKEQAZGBBDU-AWEZNQCLSA-N -1 3 378.428 3.476 20 0 GGADHM CN(Cc1ccccc1)Cc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000181482693 1430308359 /nfs/dbraw/zinc/30/83/59/1430308359.db2.gz FRMXAGHMCOKTTN-NRFANRHFSA-N -1 3 375.472 3.263 20 0 GGADHM COCCn1ccc2ccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc21 ZINC000181490884 1430309768 /nfs/dbraw/zinc/30/97/68/1430309768.db2.gz ZBZHMMRDMOGUGK-UHFFFAOYSA-N -1 3 395.459 3.060 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(Cc3ccccc3)CCCC2)c(C)o1 ZINC000181558488 1430320127 /nfs/dbraw/zinc/32/01/27/1430320127.db2.gz UWHZPLXHYAZAHB-UHFFFAOYSA-N -1 3 390.505 3.029 20 0 GGADHM CN(Cc1ccccc1)Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000181579790 1430322878 /nfs/dbraw/zinc/32/28/78/1430322878.db2.gz CLNDJUPKVRXEEI-UHFFFAOYSA-N -1 3 386.517 3.321 20 0 GGADHM O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc([O-])cc1 ZINC000181660572 1430337053 /nfs/dbraw/zinc/33/70/53/1430337053.db2.gz DXXKUKRNJHCRHJ-UHFFFAOYSA-N -1 3 386.757 3.224 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(F)c1)c1ccc(OCC(F)F)cc1 ZINC000181679684 1430340550 /nfs/dbraw/zinc/34/05/50/1430340550.db2.gz AAIYFJNJKNUJLJ-UHFFFAOYSA-N -1 3 397.378 3.456 20 0 GGADHM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc21 ZINC000181706066 1430344365 /nfs/dbraw/zinc/34/43/65/1430344365.db2.gz VZCVDLXCEGYDKM-UHFFFAOYSA-N -1 3 396.415 3.040 20 0 GGADHM O=S(=O)([N-]Cc1nccn1CCCc1ccccc1)c1ccc(F)cc1F ZINC000181716536 1430346142 /nfs/dbraw/zinc/34/61/42/1430346142.db2.gz UHUKHLKIMUJHKX-UHFFFAOYSA-N -1 3 391.443 3.273 20 0 GGADHM Cc1nn(C(C)(C)C)cc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000181720088 1430347149 /nfs/dbraw/zinc/34/71/49/1430347149.db2.gz MILCWKZTIIYARM-OAHLLOKOSA-N -1 3 394.475 3.328 20 0 GGADHM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181738234 1430350393 /nfs/dbraw/zinc/35/03/93/1430350393.db2.gz KSNQTHXSKGSPJP-UHFFFAOYSA-N -1 3 394.403 3.020 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[n-]n1 ZINC000181756333 1430353336 /nfs/dbraw/zinc/35/33/36/1430353336.db2.gz GIULKQUYSHVSKV-UHFFFAOYSA-N -1 3 384.436 3.057 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n[n-]1 ZINC000181756333 1430353338 /nfs/dbraw/zinc/35/33/38/1430353338.db2.gz GIULKQUYSHVSKV-UHFFFAOYSA-N -1 3 384.436 3.057 20 0 GGADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccccc2-n2nccc2C)cc1 ZINC000181786842 1430360060 /nfs/dbraw/zinc/36/00/60/1430360060.db2.gz GVVKMCGYSSDWGU-UHFFFAOYSA-N -1 3 387.461 3.010 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)c(=O)[n-]1 ZINC000181826626 1430368348 /nfs/dbraw/zinc/36/83/48/1430368348.db2.gz GIJNZKJOPRZXKZ-UHFFFAOYSA-N -1 3 390.434 3.227 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181867214 1430374464 /nfs/dbraw/zinc/37/44/64/1430374464.db2.gz BCQHGPIBUSQWKA-UHFFFAOYSA-N -1 3 388.729 3.041 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)SCC(=O)Nc3ccc(C)cc3)n[n-]2)o1 ZINC000181875916 1430375830 /nfs/dbraw/zinc/37/58/30/1430375830.db2.gz SROCTJMQLKQUAT-CYBMUJFWSA-N -1 3 399.476 3.380 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)n[n-]2)o1 ZINC000181878748 1430376451 /nfs/dbraw/zinc/37/64/51/1430376451.db2.gz AYYANSGGUCVRSL-INIZCTEOSA-N -1 3 381.436 3.075 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)n[n-]2)o1 ZINC000181883532 1430377440 /nfs/dbraw/zinc/37/74/40/1430377440.db2.gz ZJNBDBNAPAPYAU-CJNGLKHVSA-N -1 3 399.838 3.185 20 0 GGADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1Cc1ccccc1 ZINC000181887471 1430378087 /nfs/dbraw/zinc/37/80/87/1430378087.db2.gz INPQUBXENOILCS-UHFFFAOYSA-N -1 3 376.420 3.433 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000181963016 1430389190 /nfs/dbraw/zinc/38/91/90/1430389190.db2.gz KZCKNSZSWHZFDS-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3cccc(F)c3F)nc(=O)c2c1C ZINC000181981642 1430391779 /nfs/dbraw/zinc/39/17/79/1430391779.db2.gz SAEFSHHTRYBZBL-VIFPVBQESA-N -1 3 393.415 3.209 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c(=O)[n-]1 ZINC000182009480 1430395691 /nfs/dbraw/zinc/39/56/91/1430395691.db2.gz ZIFVNTIRVBXSFP-UHFFFAOYSA-N -1 3 389.415 3.161 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000182080237 1430407713 /nfs/dbraw/zinc/40/77/13/1430407713.db2.gz QXPOTLLQKNGUGR-WCQYABFASA-N -1 3 376.544 3.143 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000182090242 1430410048 /nfs/dbraw/zinc/41/00/48/1430410048.db2.gz HZEMXPVTJQKGII-SECBINFHSA-N -1 3 388.365 3.467 20 0 GGADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cccc(C(=O)N2CCCC2)n1 ZINC000182121704 1430415571 /nfs/dbraw/zinc/41/55/71/1430415571.db2.gz IGRMUYBAPJKLFL-UHFFFAOYSA-N -1 3 385.474 3.150 20 0 GGADHM O=C([N-]NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1Cl ZINC000182203259 1430429456 /nfs/dbraw/zinc/42/94/56/1430429456.db2.gz XDCZYWWKROHZSH-UHFFFAOYSA-N -1 3 398.600 3.086 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000182284051 1430442329 /nfs/dbraw/zinc/44/23/29/1430442329.db2.gz GBSSWTRVWWCATF-CYBMUJFWSA-N -1 3 383.379 3.307 20 0 GGADHM O=C(NC[C@H]1CCCCN1Cc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000182385128 1430456878 /nfs/dbraw/zinc/45/68/78/1430456878.db2.gz CFEFFGKFOVLYHY-GOSISDBHSA-N -1 3 392.455 3.283 20 0 GGADHM CC[C@@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000182388525 1430457787 /nfs/dbraw/zinc/45/77/87/1430457787.db2.gz SBAIVGSZGMUJGU-CMPLNLGQSA-N -1 3 394.415 3.221 20 0 GGADHM CCOc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000182406945 1430462095 /nfs/dbraw/zinc/46/20/95/1430462095.db2.gz GBTISDMIZYYYNR-UHFFFAOYSA-N -1 3 388.851 3.043 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(F)c(Br)c1 ZINC000182471010 1430473194 /nfs/dbraw/zinc/47/31/94/1430473194.db2.gz JFIVPYPEXPEERT-UHFFFAOYSA-N -1 3 393.212 3.303 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000182532852 1430485126 /nfs/dbraw/zinc/48/51/26/1430485126.db2.gz CHGLXEAVOFTHKE-UHFFFAOYSA-N -1 3 378.542 3.327 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4cccc(OC)c34)nc21 ZINC000182576985 1430496454 /nfs/dbraw/zinc/49/64/54/1430496454.db2.gz QZHBMUBKHCOEOE-UHFFFAOYSA-N -1 3 378.388 3.021 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOCC2(CCOCC2)C1 ZINC000182636838 1430507093 /nfs/dbraw/zinc/50/70/93/1430507093.db2.gz ZFMXWKOUMKGYNS-UHFFFAOYSA-N -1 3 381.472 3.252 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1[N-]S(C)(=O)=O ZINC000182728382 1430528219 /nfs/dbraw/zinc/52/82/19/1430528219.db2.gz STUKCGVRNRGSLT-LBPRGKRZSA-N -1 3 379.438 3.456 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1ccc(F)cc1F ZINC000182741727 1430531106 /nfs/dbraw/zinc/53/11/06/1430531106.db2.gz CXSPHPBQYQZKGO-UHFFFAOYSA-N -1 3 388.143 3.333 20 0 GGADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc2n[n-]nc21 ZINC000182751482 1430533282 /nfs/dbraw/zinc/53/32/82/1430533282.db2.gz IHMIPSIXWMCIOT-UHFFFAOYSA-N -1 3 395.426 3.136 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Br)c(C)c2)c([O-])c1 ZINC000182751824 1430533396 /nfs/dbraw/zinc/53/33/96/1430533396.db2.gz SWNHUTUKYOXPGH-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(F)cc2Cl)o1 ZINC000182752637 1430533648 /nfs/dbraw/zinc/53/36/48/1430533648.db2.gz UASWKACADYHPBJ-UHFFFAOYSA-N -1 3 382.823 3.380 20 0 GGADHM O=C(Nc1c(F)cc(Cl)cc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000182789319 1430540088 /nfs/dbraw/zinc/54/00/88/1430540088.db2.gz BLIVQZZERMJLHM-UHFFFAOYSA-N -1 3 395.793 3.314 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(C)cc2Br)c([O-])c1 ZINC000182817272 1430545824 /nfs/dbraw/zinc/54/58/24/1430545824.db2.gz KKIVDFYUJWZYIL-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccncc1 ZINC000182840638 1430551382 /nfs/dbraw/zinc/55/13/82/1430551382.db2.gz XMDSVAYFIDCHRJ-KRWDZBQOSA-N -1 3 380.404 3.217 20 0 GGADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000182844190 1430552489 /nfs/dbraw/zinc/55/24/89/1430552489.db2.gz IPIUFSUHXWZJQV-UHFFFAOYSA-N -1 3 388.489 3.316 20 0 GGADHM CC(C)(O)[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182856100 1430554714 /nfs/dbraw/zinc/55/47/14/1430554714.db2.gz QBSXSNFYQPLULD-VQTJNVASSA-N -1 3 396.487 3.015 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2OC(F)F)c([O-])c1 ZINC000182875059 1430559092 /nfs/dbraw/zinc/55/90/92/1430559092.db2.gz USMVSKDLQGVVDW-UHFFFAOYSA-N -1 3 382.338 3.200 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccccn1 ZINC000182925604 1430573487 /nfs/dbraw/zinc/57/34/87/1430573487.db2.gz OHXVKBWCXNTJTD-NRFANRHFSA-N -1 3 389.455 3.007 20 0 GGADHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000182932859 1430575077 /nfs/dbraw/zinc/57/50/77/1430575077.db2.gz KDUVMFGJWXQRIK-UHFFFAOYSA-N -1 3 379.710 3.359 20 0 GGADHM Cc1cccc(O)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000183020058 1430593889 /nfs/dbraw/zinc/59/38/89/1430593889.db2.gz QSHZVILZMJQPLA-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)c1ccco1 ZINC000183029525 1430596332 /nfs/dbraw/zinc/59/63/32/1430596332.db2.gz DEHITUGNOUOBBV-KRWDZBQOSA-N -1 3 388.445 3.057 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183037655 1430598338 /nfs/dbraw/zinc/59/83/38/1430598338.db2.gz WHBGCQVIMYTTAX-UHFFFAOYSA-N -1 3 386.349 3.293 20 0 GGADHM Cc1cnc([C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000183054068 1430601013 /nfs/dbraw/zinc/60/10/13/1430601013.db2.gz BATBAZNCPQBIDP-SNVBAGLBSA-N -1 3 386.433 3.197 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)c3ccccc32)ccc1F ZINC000183167708 1430636711 /nfs/dbraw/zinc/63/67/11/1430636711.db2.gz TZFSSEUABLCOSM-ZDUSSCGKSA-N -1 3 376.453 3.278 20 0 GGADHM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1nnc2ccccc2c1[O-] ZINC000183234036 1430655295 /nfs/dbraw/zinc/65/52/95/1430655295.db2.gz GDMIZNUBONOHNH-UHFFFAOYSA-N -1 3 384.386 3.444 20 0 GGADHM CCCn1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000183259317 1430662292 /nfs/dbraw/zinc/66/22/92/1430662292.db2.gz RZRDOJOQQJTRML-UHFFFAOYSA-N -1 3 390.871 3.143 20 0 GGADHM Cc1c(C#N)cccc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000183276689 1430667548 /nfs/dbraw/zinc/66/75/48/1430667548.db2.gz GJPNIVPMRRPACV-UHFFFAOYSA-N -1 3 391.200 3.235 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)[n-]n1 ZINC000183278430 1430668186 /nfs/dbraw/zinc/66/81/86/1430668186.db2.gz IYKVUNHMODEYPQ-UHFFFAOYSA-N -1 3 399.353 3.348 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)n[n-]1 ZINC000183278430 1430668189 /nfs/dbraw/zinc/66/81/89/1430668189.db2.gz IYKVUNHMODEYPQ-UHFFFAOYSA-N -1 3 399.353 3.348 20 0 GGADHM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(=O)OCC)n[n-]3)c12 ZINC000183285455 1430669844 /nfs/dbraw/zinc/66/98/44/1430669844.db2.gz QRMKOIWTBGIUJX-UHFFFAOYSA-N -1 3 383.408 3.205 20 0 GGADHM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(=O)OCC)[n-]n3)c12 ZINC000183285455 1430669850 /nfs/dbraw/zinc/66/98/50/1430669850.db2.gz QRMKOIWTBGIUJX-UHFFFAOYSA-N -1 3 383.408 3.205 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)[n-]n1 ZINC000183287673 1430670208 /nfs/dbraw/zinc/67/02/08/1430670208.db2.gz KLVUEONJUPDIDT-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)n[n-]1 ZINC000183287673 1430670210 /nfs/dbraw/zinc/67/02/10/1430670210.db2.gz KLVUEONJUPDIDT-UHFFFAOYSA-N -1 3 393.325 3.043 20 0 GGADHM O=C(NNC(=O)c1ccccc1[O-])Nc1ccc(Br)c(Cl)c1 ZINC000183318597 1430678117 /nfs/dbraw/zinc/67/81/17/1430678117.db2.gz YXPMENRLMDBNON-UHFFFAOYSA-N -1 3 384.617 3.275 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOC1CCCC1 ZINC000183321620 1430678946 /nfs/dbraw/zinc/67/89/46/1430678946.db2.gz IDNVVNXSSJCHQV-OAQYLSRUSA-N -1 3 396.487 3.329 20 0 GGADHM O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000183328968 1430680752 /nfs/dbraw/zinc/68/07/52/1430680752.db2.gz FOXSHKMDYYSUJK-UHFFFAOYSA-N -1 3 385.427 3.183 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cccc(O)c1 ZINC000183333469 1430681041 /nfs/dbraw/zinc/68/10/41/1430681041.db2.gz ZTRUIVZCMKGRDK-OAQYLSRUSA-N -1 3 390.439 3.275 20 0 GGADHM O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000183345555 1430683636 /nfs/dbraw/zinc/68/36/36/1430683636.db2.gz CBZHVMOFESAUHW-UHFFFAOYSA-N -1 3 376.376 3.125 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC(C3CC3)C3CC3)cs2)c1 ZINC000183351996 1430685881 /nfs/dbraw/zinc/68/58/81/1430685881.db2.gz UBHVSKMPIBOMLF-UHFFFAOYSA-N -1 3 385.489 3.257 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000183383133 1430696537 /nfs/dbraw/zinc/69/65/37/1430696537.db2.gz HLPATPYNQUMKCG-UHFFFAOYSA-N -1 3 395.390 3.279 20 0 GGADHM CCN(CC(C)C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183391919 1430699251 /nfs/dbraw/zinc/69/92/51/1430699251.db2.gz LKFMOJOZJRRQRO-UHFFFAOYSA-N -1 3 375.494 3.456 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc3n[n-]nc32)C1 ZINC000183400651 1430701687 /nfs/dbraw/zinc/70/16/87/1430701687.db2.gz ZZPDRPDINFEROB-OKILXGFUSA-N -1 3 377.448 3.328 20 0 GGADHM Cc1cnc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)s1 ZINC000183435562 1430711140 /nfs/dbraw/zinc/71/11/40/1430711140.db2.gz FWJUMGYTODDTGT-UHFFFAOYSA-N -1 3 388.474 3.356 20 0 GGADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(C)(C)O1 ZINC000183435397 1430711286 /nfs/dbraw/zinc/71/12/86/1430711286.db2.gz GEVMJCRYLSCIEU-OXQOHEQNSA-N -1 3 396.487 3.279 20 0 GGADHM COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc3n[n-]nc32)c1 ZINC000183526640 1430735057 /nfs/dbraw/zinc/73/50/57/1430735057.db2.gz GHCUUNSVZKKNCE-UHFFFAOYSA-N -1 3 387.399 3.471 20 0 GGADHM CC(C)OCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000183550330 1430740491 /nfs/dbraw/zinc/74/04/91/1430740491.db2.gz PQEYMRPXDZFLRB-UHFFFAOYSA-N -1 3 382.888 3.428 20 0 GGADHM O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cccc2n[n-]nc21 ZINC000183593454 1430749740 /nfs/dbraw/zinc/74/97/40/1430749740.db2.gz NEBIBOBYIXZOCE-UHFFFAOYSA-N -1 3 382.427 3.286 20 0 GGADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000183655857 1430765043 /nfs/dbraw/zinc/76/50/43/1430765043.db2.gz IGBNEQJSFXYJBD-DNVCBOLYSA-N -1 3 384.501 3.217 20 0 GGADHM Cc1cccnc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183665441 1430767041 /nfs/dbraw/zinc/76/70/41/1430767041.db2.gz HPFUXEQHCDXQQL-FQEVSTJZSA-N -1 3 389.455 3.273 20 0 GGADHM CN(C[C@@H]1CCCOC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183716627 1430779782 /nfs/dbraw/zinc/77/97/82/1430779782.db2.gz NXQFYKMSQRHTLD-UWJYYQICSA-N -1 3 396.487 3.138 20 0 GGADHM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000183732474 1430783207 /nfs/dbraw/zinc/78/32/07/1430783207.db2.gz QXUXXHLLOOBYDW-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000183738414 1430784049 /nfs/dbraw/zinc/78/40/49/1430784049.db2.gz ROKKCTILCZXZMK-QGZVFWFLSA-N -1 3 381.457 3.373 20 0 GGADHM CC[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H](C)O1 ZINC000183761533 1430788636 /nfs/dbraw/zinc/78/86/36/1430788636.db2.gz DSEFAKKDHZKPJL-DQLDELGASA-N -1 3 396.487 3.279 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 ZINC000183784388 1430793008 /nfs/dbraw/zinc/79/30/08/1430793008.db2.gz RWEQSHNRGVELGA-AWEZNQCLSA-N -1 3 395.695 3.228 20 0 GGADHM CCc1ccc2c(c1)[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCO2 ZINC000183786390 1430793848 /nfs/dbraw/zinc/79/38/48/1430793848.db2.gz GHAPUXZGQTYDDA-HXUWFJFHSA-N -1 3 380.444 3.425 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(Cl)c1 ZINC000183790428 1430794543 /nfs/dbraw/zinc/79/45/43/1430794543.db2.gz LTRUCIZQFFVORQ-HNNXBMFYSA-N -1 3 378.252 3.319 20 0 GGADHM CCc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n(C)n1 ZINC000183818453 1430800611 /nfs/dbraw/zinc/80/06/11/1430800611.db2.gz PEDSJPVHLBXTLJ-IBGZPJMESA-N -1 3 392.459 3.188 20 0 GGADHM CC(C)(C)C[C@@H](O)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183828542 1430801920 /nfs/dbraw/zinc/80/19/20/1430801920.db2.gz ACFMZRIALIVSNB-UXHICEINSA-N -1 3 398.503 3.167 20 0 GGADHM CC(C)(C)C[C@@H](O)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183828572 1430801935 /nfs/dbraw/zinc/80/19/35/1430801935.db2.gz ACFMZRIALIVSNB-WOJBJXKFSA-N -1 3 398.503 3.167 20 0 GGADHM CC(C)(C)C[C@H](O)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183828527 1430801980 /nfs/dbraw/zinc/80/19/80/1430801980.db2.gz ACFMZRIALIVSNB-PMACEKPBSA-N -1 3 398.503 3.167 20 0 GGADHM CC(C)(C)C[C@H](O)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183828562 1430801995 /nfs/dbraw/zinc/80/19/95/1430801995.db2.gz ACFMZRIALIVSNB-VQTJNVASSA-N -1 3 398.503 3.167 20 0 GGADHM COc1cc(C(=O)[N-]c2sc3c(c2C(N)=O)-c2ccccc2CCC3)on1 ZINC000183832099 1430802445 /nfs/dbraw/zinc/80/24/45/1430802445.db2.gz XSOIOTZTQWZXSN-UHFFFAOYSA-N -1 3 383.429 3.252 20 0 GGADHM C[C@@H]1CSCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183905011 1430811374 /nfs/dbraw/zinc/81/13/74/1430811374.db2.gz QKLVXEQTFQKIIA-DNVCBOLYSA-N -1 3 384.501 3.217 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc2ccccc2n1 ZINC000183981309 1430822786 /nfs/dbraw/zinc/82/27/86/1430822786.db2.gz GPXGKDQBEQXFLC-STQMWFEESA-N -1 3 385.345 3.217 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc2ccccc2n1 ZINC000183981276 1430822955 /nfs/dbraw/zinc/82/29/55/1430822955.db2.gz GPXGKDQBEQXFLC-OLZOCXBDSA-N -1 3 385.345 3.217 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000184019390 1430829867 /nfs/dbraw/zinc/82/98/67/1430829867.db2.gz AFEKVCMWEXOMMU-AWEZNQCLSA-N -1 3 388.414 3.115 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c(Cl)n1 ZINC000184051163 1430834360 /nfs/dbraw/zinc/83/43/60/1430834360.db2.gz BGAMHNLCRJJANV-UHFFFAOYSA-N -1 3 375.233 3.269 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC(F)F)C(C)C)cs2)c1 ZINC000184052512 1430834720 /nfs/dbraw/zinc/83/47/20/1430834720.db2.gz QFZTYYZMGFKKTI-UHFFFAOYSA-N -1 3 397.447 3.454 20 0 GGADHM CCOC[C@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000184120886 1430843919 /nfs/dbraw/zinc/84/39/19/1430843919.db2.gz AMNAWXUGWRKPPH-LAUBAEHRSA-N -1 3 396.487 3.138 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cc(Br)ccc2C)c([O-])c1 ZINC000184134777 1430845813 /nfs/dbraw/zinc/84/58/13/1430845813.db2.gz DZZRAUCXPGUNCV-UHFFFAOYSA-N -1 3 378.226 3.238 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(Br)cc1Cl)Nc1ccncc1F ZINC000184175555 1430851047 /nfs/dbraw/zinc/85/10/47/1430851047.db2.gz YNVKKHZYARHNBV-UHFFFAOYSA-N -1 3 387.596 3.103 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCCS1 ZINC000184176418 1430851114 /nfs/dbraw/zinc/85/11/14/1430851114.db2.gz GNIFIJWYZWEHMX-RBUKOAKNSA-N -1 3 384.501 3.265 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000184183004 1430852462 /nfs/dbraw/zinc/85/24/62/1430852462.db2.gz AEBXEWKHEUMEJV-CQSZACIVSA-N -1 3 389.452 3.289 20 0 GGADHM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184190692 1430853726 /nfs/dbraw/zinc/85/37/26/1430853726.db2.gz RFQKHIHAHBDBNU-HXUWFJFHSA-N -1 3 390.487 3.315 20 0 GGADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC000184206115 1430856157 /nfs/dbraw/zinc/85/61/57/1430856157.db2.gz ALUMOPWSYHWQPN-HRAATJIYSA-N -1 3 396.487 3.185 20 0 GGADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC000184206079 1430856227 /nfs/dbraw/zinc/85/62/27/1430856227.db2.gz ALUMOPWSYHWQPN-KKSFZXQISA-N -1 3 396.487 3.185 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(F)nc1 ZINC000184221494 1430858325 /nfs/dbraw/zinc/85/83/25/1430858325.db2.gz NULJOUVFHYNGQW-GOSISDBHSA-N -1 3 379.391 3.426 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1F ZINC000184235217 1430860288 /nfs/dbraw/zinc/86/02/88/1430860288.db2.gz BARPIPWSOOETGL-HNNXBMFYSA-N -1 3 399.513 3.063 20 0 GGADHM CCOC(=O)C(C)(C)n1cc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)cn1 ZINC000184243497 1430861402 /nfs/dbraw/zinc/86/14/02/1430861402.db2.gz JGEHNHWITRGQKA-CMDGGOBGSA-N -1 3 397.884 3.247 20 0 GGADHM CCc1ncc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000184249600 1430862266 /nfs/dbraw/zinc/86/22/66/1430862266.db2.gz SWPIIUMCBZCLFW-LJQANCHMSA-N -1 3 390.443 3.245 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1ccc(F)c(C)c1 ZINC000184254672 1430863083 /nfs/dbraw/zinc/86/30/83/1430863083.db2.gz OHJSIUJOEWPRKG-OAGJVSPASA-N -1 3 381.400 3.078 20 0 GGADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000184286514 1430868459 /nfs/dbraw/zinc/86/84/59/1430868459.db2.gz IQRMMMNELUCVQZ-ZDUSSCGKSA-N -1 3 396.353 3.120 20 0 GGADHM CCC(CC)(CO)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184297383 1430870034 /nfs/dbraw/zinc/87/00/34/1430870034.db2.gz RKKQFEZHAYNPCQ-FQEVSTJZSA-N -1 3 398.503 3.168 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1c(C)oc2ccccc21 ZINC000184328559 1430873721 /nfs/dbraw/zinc/87/37/21/1430873721.db2.gz CYWSSZLYZXXADZ-UHFFFAOYSA-N -1 3 377.393 3.145 20 0 GGADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@H]1CCSC1 ZINC000184357879 1430877772 /nfs/dbraw/zinc/87/77/72/1430877772.db2.gz ITANUSQHKCFRRU-HKUYNNGSSA-N -1 3 384.501 3.217 20 0 GGADHM Cc1nc(-c2ccccc2)sc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000184468902 1430891127 /nfs/dbraw/zinc/89/11/27/1430891127.db2.gz NDNALHLJYSOOTG-UHFFFAOYSA-N -1 3 396.472 3.376 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000184576737 1430908220 /nfs/dbraw/zinc/90/82/20/1430908220.db2.gz LSVVAJATUIMEGP-UHFFFAOYSA-N -1 3 380.246 3.322 20 0 GGADHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)ccc1Br ZINC000184620050 1430921433 /nfs/dbraw/zinc/92/14/33/1430921433.db2.gz OUODRDAQZWKCID-UHFFFAOYSA-N -1 3 391.174 3.003 20 0 GGADHM Cc1ccc(C#N)cc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000184658236 1430932522 /nfs/dbraw/zinc/93/25/22/1430932522.db2.gz BHVBFKZHGUTTSO-UHFFFAOYSA-N -1 3 391.200 3.235 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cn1 ZINC000184671702 1430937915 /nfs/dbraw/zinc/93/79/15/1430937915.db2.gz IDMMAEZMOADEKR-UHFFFAOYSA-N -1 3 385.811 3.332 20 0 GGADHM O=C1[N-]C(=O)/C(=C/NCc2cc3cc(Br)ccc3[nH]2)c2ccccc21 ZINC000184747113 1430964299 /nfs/dbraw/zinc/96/42/99/1430964299.db2.gz MGNYCUFVBFOCDJ-MHWRWJLKSA-N -1 3 396.244 3.331 20 0 GGADHM COc1cc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc(OC)c1OC ZINC000184753760 1430966901 /nfs/dbraw/zinc/96/69/01/1430966901.db2.gz LLALFQNYNIFCDL-UHFFFAOYSA-N -1 3 392.883 3.394 20 0 GGADHM O=C(NN=c1cccn[n-]1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000184791702 1430978782 /nfs/dbraw/zinc/97/87/82/1430978782.db2.gz HHZANMMGYLOJOE-UHFFFAOYSA-N -1 3 380.191 3.107 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c([O-])c1 ZINC000184803066 1430982622 /nfs/dbraw/zinc/98/26/22/1430982622.db2.gz NJERVTZDQIABNB-UHFFFAOYSA-N -1 3 385.811 3.006 20 0 GGADHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000184852022 1431003467 /nfs/dbraw/zinc/00/34/67/1431003467.db2.gz RJASAFIHTCQOCQ-UHFFFAOYSA-N -1 3 396.465 3.127 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccn2)C2CC2)c1 ZINC000184914277 1431019888 /nfs/dbraw/zinc/01/98/88/1431019888.db2.gz DHFXKBDCRKREBC-UHFFFAOYSA-N -1 3 392.415 3.141 20 0 GGADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C2=Cc3ccccc3OCC2)o1 ZINC000184921214 1431022065 /nfs/dbraw/zinc/02/20/65/1431022065.db2.gz HHDMPOUJOLAZPP-QGZVFWFLSA-N -1 3 377.462 3.273 20 0 GGADHM O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000184930386 1431024368 /nfs/dbraw/zinc/02/43/68/1431024368.db2.gz ORLCVUMIEQPWBL-UHFFFAOYSA-N -1 3 397.862 3.266 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2OC(F)(F)F)c([O-])c1 ZINC000184933697 1431025084 /nfs/dbraw/zinc/02/50/84/1431025084.db2.gz LJZFHAAFVXDQKC-UHFFFAOYSA-N -1 3 382.338 3.358 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)c(C)o1 ZINC000185015925 1431042555 /nfs/dbraw/zinc/04/25/55/1431042555.db2.gz NYZYQCRTMFSBDU-DNVCBOLYSA-N -1 3 390.505 3.186 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000185125112 1431066811 /nfs/dbraw/zinc/06/68/11/1431066811.db2.gz IKTQPZNYXIGZDU-KRWDZBQOSA-N -1 3 394.537 3.147 20 0 GGADHM CC[C@H](CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000185154806 1431073479 /nfs/dbraw/zinc/07/34/79/1431073479.db2.gz RQDPTQRPGFBFGO-OAHLLOKOSA-N -1 3 392.496 3.390 20 0 GGADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185190536 1431081152 /nfs/dbraw/zinc/08/11/52/1431081152.db2.gz ZRWHDQOOSGBASA-UHFFFAOYSA-N -1 3 395.843 3.463 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cn1 ZINC000185331672 1431117460 /nfs/dbraw/zinc/11/74/60/1431117460.db2.gz QWCVDODMPKWRNI-UHFFFAOYSA-N -1 3 399.838 3.119 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Nc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000185346131 1431121280 /nfs/dbraw/zinc/12/12/80/1431121280.db2.gz JUMCYTIXOJPKFW-UHFFFAOYSA-N -1 3 377.756 3.140 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000185529401 1431164755 /nfs/dbraw/zinc/16/47/55/1431164755.db2.gz OYMSKUSFGZCTGK-CRAIPNDOSA-N -1 3 395.390 3.366 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000185529439 1431164761 /nfs/dbraw/zinc/16/47/61/1431164761.db2.gz OYMSKUSFGZCTGK-MAUKXSAKSA-N -1 3 395.390 3.366 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000185729549 1431217420 /nfs/dbraw/zinc/21/74/20/1431217420.db2.gz BBATUPGRJIJDRN-NKAIQICCSA-N -1 3 395.846 3.264 20 0 GGADHM COC(=O)[C@@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1ccc(F)c(C)c1 ZINC000185756085 1431226275 /nfs/dbraw/zinc/22/62/75/1431226275.db2.gz KEIJUVIYPIEBHW-IBGZPJMESA-N -1 3 385.391 3.258 20 0 GGADHM O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1nnc2ccccc2c1[O-] ZINC000185763806 1431228054 /nfs/dbraw/zinc/22/80/54/1431228054.db2.gz LOFCNFVHBDECAY-HXUWFJFHSA-N -1 3 385.423 3.054 20 0 GGADHM COc1ccc2c(c1)nc(CNCc1cccc(Br)c1[O-])n2C ZINC000185831050 1431245790 /nfs/dbraw/zinc/24/57/90/1431245790.db2.gz KRCGBLQBVHHVBR-UHFFFAOYSA-N -1 3 376.254 3.340 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c(C)o1 ZINC000185879766 1431260589 /nfs/dbraw/zinc/26/05/89/1431260589.db2.gz DXBIDIAJIOSMGX-UHFFFAOYSA-N -1 3 396.896 3.169 20 0 GGADHM CCc1cc2c(CN3CCC(C(=O)C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000186002343 1431309061 /nfs/dbraw/zinc/30/90/61/1431309061.db2.gz QTJDCZMBLWRAPW-UHFFFAOYSA-N -1 3 383.366 3.404 20 0 GGADHM CC(C)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1F ZINC000186022141 1431313144 /nfs/dbraw/zinc/31/31/44/1431313144.db2.gz SEPUBCFLCHVNQL-UHFFFAOYSA-N -1 3 375.787 3.420 20 0 GGADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCC2=CCCCCC2)c(Cl)s1 ZINC000186035851 1431316443 /nfs/dbraw/zinc/31/64/43/1431316443.db2.gz KKEDZISDOMQJJE-UHFFFAOYSA-N -1 3 397.971 3.364 20 0 GGADHM Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[N-]OCC(N)=O ZINC000186054441 1431320443 /nfs/dbraw/zinc/32/04/43/1431320443.db2.gz BRFLXKNGXQXKRP-UHFFFAOYSA-N -1 3 399.426 3.270 20 0 GGADHM COc1cc(C)c(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1F ZINC000186061882 1431321888 /nfs/dbraw/zinc/32/18/88/1431321888.db2.gz PBUPSGRGMMIFJF-UHFFFAOYSA-N -1 3 396.422 3.168 20 0 GGADHM CSCCCCCNC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000186161463 1431344488 /nfs/dbraw/zinc/34/44/88/1431344488.db2.gz VRWLALTYRGDUDG-UHFFFAOYSA-N -1 3 392.294 3.066 20 0 GGADHM CCCCOc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000186171644 1431346411 /nfs/dbraw/zinc/34/64/11/1431346411.db2.gz ZGXNGZIEMPWPRK-UHFFFAOYSA-N -1 3 390.867 3.384 20 0 GGADHM O=C(c1ccccc1OC(F)F)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186173640 1431346821 /nfs/dbraw/zinc/34/68/21/1431346821.db2.gz NFRIIXNITOPJFY-UHFFFAOYSA-N -1 3 380.366 3.091 20 0 GGADHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cc1OC(F)F ZINC000186200426 1431351062 /nfs/dbraw/zinc/35/10/62/1431351062.db2.gz UQIGUODIZWFDSG-CYBMUJFWSA-N -1 3 384.342 3.136 20 0 GGADHM C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4cc([O-])cc(F)c4)CC3)cc2NC1=O ZINC000186210023 1431353077 /nfs/dbraw/zinc/35/30/77/1431353077.db2.gz IYMCPJUHKAABPX-ZDUSSCGKSA-N -1 3 398.434 3.346 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)no1 ZINC000186222407 1431355706 /nfs/dbraw/zinc/35/57/06/1431355706.db2.gz KNVGJYVKWVNPTK-UHFFFAOYSA-N -1 3 392.399 3.487 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)c1ccsc1)c1cc(Br)ccc1Cl ZINC000186269357 1431366997 /nfs/dbraw/zinc/36/69/97/1431366997.db2.gz BDNXJVZXKDDBSF-LLVKDONJSA-N -1 3 396.715 3.176 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCc3ccccc32)c1 ZINC000186283737 1431371336 /nfs/dbraw/zinc/37/13/36/1431371336.db2.gz CQEBLYAOIMZHDE-OAHLLOKOSA-N -1 3 391.427 3.401 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000186291571 1431373181 /nfs/dbraw/zinc/37/31/81/1431373181.db2.gz LLXZFMHGESOKGX-UHFFFAOYSA-N -1 3 391.427 3.446 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1OC(F)(F)F ZINC000186315072 1431379893 /nfs/dbraw/zinc/37/98/93/1431379893.db2.gz SLETYAWGGVXVMY-UHFFFAOYSA-N -1 3 380.322 3.300 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)cc1Cl ZINC000186338589 1431386667 /nfs/dbraw/zinc/38/66/67/1431386667.db2.gz CXEOJXASMVHRFP-UHFFFAOYSA-N -1 3 396.871 3.491 20 0 GGADHM COc1ccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000186397146 1431400158 /nfs/dbraw/zinc/40/01/58/1431400158.db2.gz SWTLUBGUFCEXKZ-UHFFFAOYSA-N -1 3 382.189 3.063 20 0 GGADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(OC(F)F)c3cccnc13)c2[O-] ZINC000186401893 1431402683 /nfs/dbraw/zinc/40/26/83/1431402683.db2.gz BKMAJOLOGYUHOV-UHFFFAOYSA-N -1 3 385.330 3.076 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2nccs2)c1 ZINC000186425933 1431414794 /nfs/dbraw/zinc/41/47/94/1431414794.db2.gz RZIXHTQFCOTZHP-UHFFFAOYSA-N -1 3 386.433 3.063 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000186490457 1431434905 /nfs/dbraw/zinc/43/49/05/1431434905.db2.gz AJMPTMKKNINBBT-SFHVURJKSA-N -1 3 395.406 3.214 20 0 GGADHM Cn1cc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccc(F)cc2)cn1 ZINC000186494430 1431436174 /nfs/dbraw/zinc/43/61/74/1431436174.db2.gz OMBYHNYPGILNQJ-KRWDZBQOSA-N -1 3 399.369 3.044 20 0 GGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1nnc2ccccc2c1[O-] ZINC000186532757 1431447762 /nfs/dbraw/zinc/44/77/62/1431447762.db2.gz RPCYOFFTEGCRKP-UHFFFAOYSA-N -1 3 397.232 3.097 20 0 GGADHM CC(C)(C)CC(=O)N[N-]C(=O)c1cc(Br)ccc1Br ZINC000186591344 1431462743 /nfs/dbraw/zinc/46/27/43/1431462743.db2.gz CVJKUNDHIKFOAZ-UHFFFAOYSA-N -1 3 392.091 3.409 20 0 GGADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1Br ZINC000186617498 1431470260 /nfs/dbraw/zinc/47/02/60/1431470260.db2.gz QERIIDRHPPBEEP-UHFFFAOYSA-N -1 3 392.618 3.207 20 0 GGADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)Cc2ccccc2F)c1Br ZINC000186618061 1431470944 /nfs/dbraw/zinc/47/09/44/1431470944.db2.gz CRQIESACOGEYHD-UHFFFAOYSA-N -1 3 389.202 3.438 20 0 GGADHM N#CCOc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC000186647196 1431479978 /nfs/dbraw/zinc/47/99/78/1431479978.db2.gz PYIQZIIRWBLOMU-UHFFFAOYSA-N -1 3 393.212 3.281 20 0 GGADHM CCOc1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc(Cl)c1[O-] ZINC000186647960 1431479733 /nfs/dbraw/zinc/47/97/33/1431479733.db2.gz QVDYQOMHPJQFGD-UHFFFAOYSA-N -1 3 389.883 3.234 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N(CC(C)C)C(C)C)[n-]c1-c1ccccc1 ZINC000186835552 1431533266 /nfs/dbraw/zinc/53/32/66/1431533266.db2.gz SFMMSJGQOBIJHG-UHFFFAOYSA-N -1 3 377.510 3.052 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(CC(C)C)C(C)C)nc1-c1ccccc1 ZINC000186835552 1431533271 /nfs/dbraw/zinc/53/32/71/1431533271.db2.gz SFMMSJGQOBIJHG-UHFFFAOYSA-N -1 3 377.510 3.052 20 0 GGADHM COc1cccc(NC(=O)CCS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)c1 ZINC000186836373 1431533696 /nfs/dbraw/zinc/53/36/96/1431533696.db2.gz LINQEIHUXZKZOR-UHFFFAOYSA-N -1 3 399.472 3.196 20 0 GGADHM COc1cccc(NC(=O)CCS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)c1 ZINC000186836373 1431533705 /nfs/dbraw/zinc/53/37/05/1431533705.db2.gz LINQEIHUXZKZOR-UHFFFAOYSA-N -1 3 399.472 3.196 20 0 GGADHM COc1ccc(C)cc1NC(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186839384 1431535439 /nfs/dbraw/zinc/53/54/39/1431535439.db2.gz ZJECMKHKBJTPTG-UHFFFAOYSA-N -1 3 399.472 3.115 20 0 GGADHM COc1ccc(C)cc1NC(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186839384 1431535449 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GGADHM Cc1[n-]c(S(=O)(=O)Cc2cc(F)cc3c2OCOC3)nc1-c1ccccc1 ZINC000186846168 1431537297 /nfs/dbraw/zinc/53/72/97/1431537297.db2.gz STLZLLWCJDVIFM-UHFFFAOYSA-N -1 3 388.420 3.365 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N(C)C2CCCCC2)[n-]c1-c1ccccc1 ZINC000186845735 1431537339 /nfs/dbraw/zinc/53/73/39/1431537339.db2.gz ZHUOPQQNKBCFGJ-OAHLLOKOSA-N -1 3 389.521 3.338 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2)[n-]c1-c1ccccc1 ZINC000186844603 1431537410 /nfs/dbraw/zinc/53/74/10/1431537410.db2.gz MGDGXSLMZHJRDB-UHFFFAOYSA-N -1 3 389.864 3.451 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000186844603 1431537413 /nfs/dbraw/zinc/53/74/13/1431537413.db2.gz MGDGXSLMZHJRDB-UHFFFAOYSA-N -1 3 389.864 3.451 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N2c3ccccc3C[C@H]2C)[n-]c1-c1ccccc1 ZINC000186845342 1431537685 /nfs/dbraw/zinc/53/76/85/1431537685.db2.gz GYCYYMQNVPGKTM-CQSZACIVSA-N -1 3 395.484 3.137 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N2c3ccccc3C[C@H]2C)nc1-c1ccccc1 ZINC000186845342 1431537687 /nfs/dbraw/zinc/53/76/87/1431537687.db2.gz GYCYYMQNVPGKTM-CQSZACIVSA-N -1 3 395.484 3.137 20 0 GGADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccccc3)no2)[n-]c1-c1ccccc1 ZINC000186846689 1431538559 /nfs/dbraw/zinc/53/85/59/1431538559.db2.gz MQUNGQJVMMRZBK-UHFFFAOYSA-N -1 3 380.429 3.409 20 0 GGADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccccc3)no2)nc1-c1ccccc1 ZINC000186846689 1431538568 /nfs/dbraw/zinc/53/85/68/1431538568.db2.gz MQUNGQJVMMRZBK-UHFFFAOYSA-N -1 3 380.429 3.409 20 0 GGADHM CCOc1ccccc1NC(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186848615 1431539346 /nfs/dbraw/zinc/53/93/46/1431539346.db2.gz PGRAUUHBGIMNPS-UHFFFAOYSA-N -1 3 399.472 3.196 20 0 GGADHM CCOc1ccccc1NC(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186848615 1431539348 /nfs/dbraw/zinc/53/93/48/1431539348.db2.gz PGRAUUHBGIMNPS-UHFFFAOYSA-N -1 3 399.472 3.196 20 0 GGADHM CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186856192 1431542444 /nfs/dbraw/zinc/54/24/44/1431542444.db2.gz SVGPRIYXBRZONM-RDJZCZTQSA-N 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ZINC000187055243 1431600757 /nfs/dbraw/zinc/60/07/57/1431600757.db2.gz YSOLNKBWOVRXRG-QGZVFWFLSA-N -1 3 376.478 3.037 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000187074728 1431606415 /nfs/dbraw/zinc/60/64/15/1431606415.db2.gz YMAALFGSKPKXII-UHFFFAOYSA-N -1 3 386.473 3.185 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)ccc2N1CC1CC1 ZINC000187074854 1431606591 /nfs/dbraw/zinc/60/65/91/1431606591.db2.gz GJZKQRADRXKKMU-UHFFFAOYSA-N -1 3 398.484 3.112 20 0 GGADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000187099820 1431615252 /nfs/dbraw/zinc/61/52/52/1431615252.db2.gz JYUZZTCLYSNYSW-SJKOYZFVSA-N -1 3 383.835 3.179 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)c2)c(C)c1 ZINC000187115190 1431620184 /nfs/dbraw/zinc/62/01/84/1431620184.db2.gz ZLSWTJOHNSSMES-UHFFFAOYSA-N -1 3 390.505 3.027 20 0 GGADHM COC(=O)c1coc(C(=O)[N-]c2sc3c(c2C(=O)c2cccnc2)CCC3)c1 ZINC000187131895 1431626043 /nfs/dbraw/zinc/62/60/43/1431626043.db2.gz KGNDQTNBUZNDKK-UHFFFAOYSA-N -1 3 396.424 3.495 20 0 GGADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187132438 1431626144 /nfs/dbraw/zinc/62/61/44/1431626144.db2.gz FXUQWMBGKYYHCQ-UHFFFAOYSA-N -1 3 382.489 3.314 20 0 GGADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000187158091 1431633607 /nfs/dbraw/zinc/63/36/07/1431633607.db2.gz NGZAUOXQIHDZIM-UHFFFAOYSA-N -1 3 380.779 3.071 20 0 GGADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)n1 ZINC000187159514 1431634266 /nfs/dbraw/zinc/63/42/66/1431634266.db2.gz LJVDMPDQVWGGPP-UHFFFAOYSA-N -1 3 388.518 3.376 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3cncs3)cc2)cc1 ZINC000187320695 1431695523 /nfs/dbraw/zinc/69/55/23/1431695523.db2.gz LOAKLCPGNSKVKV-UHFFFAOYSA-N -1 3 387.486 3.434 20 0 GGADHM O=C1[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccccc1C(F)(F)F ZINC000187375867 1431713302 /nfs/dbraw/zinc/71/33/02/1431713302.db2.gz VSQHRUPSEPWWPU-AWEZNQCLSA-N -1 3 395.337 3.214 20 0 GGADHM Cc1cc(Br)cc(NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000187480604 1431744541 /nfs/dbraw/zinc/74/45/41/1431744541.db2.gz KFKWNYIGDLAAER-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC000187517533 1431753774 /nfs/dbraw/zinc/75/37/74/1431753774.db2.gz DSXNRVOYPHILGK-UHFFFAOYSA-N -1 3 377.448 3.407 20 0 GGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000187581330 1431772506 /nfs/dbraw/zinc/77/25/06/1431772506.db2.gz UAQSIIPZWFBFGF-HNNXBMFYSA-N -1 3 388.489 3.074 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1noc(-c2ccccc2)n1 ZINC000187652592 1431788925 /nfs/dbraw/zinc/78/89/25/1431788925.db2.gz UTXDWXOKIRIPQR-CQSZACIVSA-N -1 3 392.415 3.150 20 0 GGADHM O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cccc2n[n-]nc21 ZINC000187799863 1431813708 /nfs/dbraw/zinc/81/37/08/1431813708.db2.gz CTOSEOLPVGCEHN-UHFFFAOYSA-N -1 3 384.399 3.437 20 0 GGADHM O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000187802569 1431814173 /nfs/dbraw/zinc/81/41/73/1431814173.db2.gz FUQQGPMBULHCPG-UHFFFAOYSA-N -1 3 383.839 3.490 20 0 GGADHM O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC000187888288 1431824505 /nfs/dbraw/zinc/82/45/05/1431824505.db2.gz HTYKOTWBRGSMKF-UHFFFAOYSA-N -1 3 398.488 3.458 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3C)nc2)sc1Cl ZINC000187983508 1431833411 /nfs/dbraw/zinc/83/34/11/1431833411.db2.gz ZYSUFZJPGSHLRI-UHFFFAOYSA-N -1 3 382.898 3.078 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000188100053 1431846503 /nfs/dbraw/zinc/84/65/03/1431846503.db2.gz RZJBVBBKAOAUHF-OQLLNIDSSA-N -1 3 384.819 3.083 20 0 GGADHM COc1cccc(Oc2ncccc2CNC(=O)c2cccc3n[n-]nc32)c1 ZINC000188129341 1431850569 /nfs/dbraw/zinc/85/05/69/1431850569.db2.gz CWBPVWKGOHVBHX-UHFFFAOYSA-N -1 3 375.388 3.084 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3cc(F)ccc3Cl)[n-]c(=O)c21 ZINC000188195344 1431859405 /nfs/dbraw/zinc/85/94/05/1431859405.db2.gz WBMNVCDGXGCZOJ-UHFFFAOYSA-N -1 3 393.827 3.498 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCc1ccc(Br)s1 ZINC000188289829 1431869946 /nfs/dbraw/zinc/86/99/46/1431869946.db2.gz MWUGNTLFPHNFNG-FMIVXFBMSA-N -1 3 377.263 3.482 20 0 GGADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000188313215 1431872088 /nfs/dbraw/zinc/87/20/88/1431872088.db2.gz SKDJFYOQDSFPMG-UHFFFAOYSA-N -1 3 393.447 3.235 20 0 GGADHM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000188328414 1431873669 /nfs/dbraw/zinc/87/36/69/1431873669.db2.gz PCSREDKYDUWNJD-GXYBQNOFSA-N -1 3 383.492 3.234 20 0 GGADHM C=CC[C@@H](C(=O)NN=c1[n-]c(Br)cn2ccnc12)c1ccccc1 ZINC000188366757 1431877603 /nfs/dbraw/zinc/87/76/03/1431877603.db2.gz SQUIQUJPEQMJJI-CYBMUJFWSA-N -1 3 386.253 3.295 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)n1 ZINC000188420804 1431882808 /nfs/dbraw/zinc/88/28/08/1431882808.db2.gz HSMKCBYMVOCLOT-UHFFFAOYSA-N -1 3 386.843 3.205 20 0 GGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188597689 1431898720 /nfs/dbraw/zinc/89/87/20/1431898720.db2.gz JJNMMOHHPNXROF-XOBRGWDASA-N -1 3 380.448 3.013 20 0 GGADHM CCc1ccc(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn43)CC2)c([O-])c1 ZINC000188607760 1431899649 /nfs/dbraw/zinc/89/96/49/1431899649.db2.gz FDRCRSNQGCYVRW-UHFFFAOYSA-N -1 3 392.503 3.177 20 0 GGADHM Cc1oc(-c2ccccc2)c(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1C ZINC000188773706 1431969151 /nfs/dbraw/zinc/96/91/51/1431969151.db2.gz SJJJKLORJDYFNG-UHFFFAOYSA-N -1 3 378.428 3.429 20 0 GGADHM CCc1ccc(C(=O)N(C)CCN(C)C(=O)c2ccc(CC)cc2O)c([O-])c1 ZINC000188842877 1431995366 /nfs/dbraw/zinc/99/53/66/1431995366.db2.gz HOVOSPHRMNNMLV-UHFFFAOYSA-N -1 3 384.476 3.067 20 0 GGADHM C[C@](O)(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000188854145 1431999294 /nfs/dbraw/zinc/99/92/94/1431999294.db2.gz IUMSJMHGBVVSIX-INIZCTEOSA-N -1 3 391.386 3.421 20 0 GGADHM C[C@](O)(CC[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000188857533 1431999634 /nfs/dbraw/zinc/99/96/34/1431999634.db2.gz UGYRZYAZPSBXLO-AWEZNQCLSA-N -1 3 390.324 3.087 20 0 GGADHM COC(=O)[C@](C)(NC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)c(Cl)c1 ZINC000188867119 1432001346 /nfs/dbraw/zinc/00/13/46/1432001346.db2.gz YPJUXDCFETUXPG-QGZVFWFLSA-N -1 3 393.230 3.083 20 0 GGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCS2(=O)=O)cc1 ZINC000188926631 1432010637 /nfs/dbraw/zinc/01/06/37/1432010637.db2.gz XPPIUGZHEXBQLN-UHFFFAOYSA-N -1 3 394.518 3.151 20 0 GGADHM O=C(NN=c1ccc(C(F)(F)F)n[n-]1)c1cc(Br)ncc1Cl ZINC000188960652 1432016946 /nfs/dbraw/zinc/01/69/46/1432016946.db2.gz RZBGCDLXXUJQIW-UHFFFAOYSA-N -1 3 396.554 3.063 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3cc(Cl)ccc3F)[n-]c(=O)c21 ZINC000188979883 1432021131 /nfs/dbraw/zinc/02/11/31/1432021131.db2.gz DHKXBVQNVIVHSA-UHFFFAOYSA-N -1 3 393.827 3.498 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)[n-]n1 ZINC000189019844 1432027753 /nfs/dbraw/zinc/02/77/53/1432027753.db2.gz DXMGGCUSYZWRMH-UHFFFAOYSA-N -1 3 385.317 3.415 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)n[n-]1 ZINC000189019844 1432027759 /nfs/dbraw/zinc/02/77/59/1432027759.db2.gz DXMGGCUSYZWRMH-UHFFFAOYSA-N -1 3 385.317 3.415 20 0 GGADHM Cc1ccc(CC(=O)[N-]O[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000189266283 1432074960 /nfs/dbraw/zinc/07/49/60/1432074960.db2.gz GKRLSYOZVAVUFI-LJQANCHMSA-N -1 3 388.414 3.055 20 0 GGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3COC)cc1 ZINC000189279116 1432077360 /nfs/dbraw/zinc/07/73/60/1432077360.db2.gz YGVQBNQZUCZLRH-UHFFFAOYSA-N -1 3 388.489 3.323 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000189285840 1432078444 /nfs/dbraw/zinc/07/84/44/1432078444.db2.gz ZDPPYKVBVYACAU-LLVKDONJSA-N -1 3 381.398 3.258 20 0 GGADHM CC[C@]1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000189337890 1432089088 /nfs/dbraw/zinc/08/90/88/1432089088.db2.gz XVRYHMFHOVESDP-NZQKXSOJSA-N -1 3 396.487 3.281 20 0 GGADHM COc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)ccc1F ZINC000189464177 1432121023 /nfs/dbraw/zinc/12/10/23/1432121023.db2.gz QGVPGLSBHTYGNJ-UHFFFAOYSA-N -1 3 398.431 3.303 20 0 GGADHM O=C(CCCOc1ccc(Cl)cc1Cl)N[N-]C(=O)c1c[nH]nc1C1CC1 ZINC000189997771 1432301556 /nfs/dbraw/zinc/30/15/56/1432301556.db2.gz CIACXRKLVHLEGH-UHFFFAOYSA-N -1 3 397.262 3.214 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000190009417 1432304086 /nfs/dbraw/zinc/30/40/86/1432304086.db2.gz HPKNCNDSKUKCDH-UHFFFAOYSA-N -1 3 382.460 3.169 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)c1csc(Cl)c1 ZINC000190015218 1432305455 /nfs/dbraw/zinc/30/54/55/1432305455.db2.gz DJXAVWOABVCZNT-UHFFFAOYSA-N -1 3 377.622 3.378 20 0 GGADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c([O-])c1 ZINC000190049514 1432311197 /nfs/dbraw/zinc/31/11/97/1432311197.db2.gz ZCWCEMFUGMIMIF-UHFFFAOYSA-N -1 3 386.448 3.199 20 0 GGADHM Cc1ccn(C)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000190114039 1432321984 /nfs/dbraw/zinc/32/19/84/1432321984.db2.gz PSJIUBXBPBFTEP-UHFFFAOYSA-N -1 3 375.856 3.183 20 0 GGADHM COc1ccccc1-c1nc(C2CCN(C(=O)c3ccccc3[O-])CC2)no1 ZINC000190198677 1432339100 /nfs/dbraw/zinc/33/91/00/1432339100.db2.gz HJCQSPLXLUUSIR-UHFFFAOYSA-N -1 3 379.416 3.471 20 0 GGADHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(OCCCC)cc2[O-])C1 ZINC000190235714 1432346503 /nfs/dbraw/zinc/34/65/03/1432346503.db2.gz LJOUCEKVJVAVKO-INIZCTEOSA-N -1 3 376.497 3.340 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CNC(=O)CCC)C2)c([O-])c1 ZINC000190261959 1432350410 /nfs/dbraw/zinc/35/04/10/1432350410.db2.gz PPOOVFZIHZRUKE-MRXNPFEDSA-N -1 3 376.497 3.340 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)c([O-])c1 ZINC000190290480 1432354088 /nfs/dbraw/zinc/35/40/88/1432354088.db2.gz DFZZXWWYCRMSHW-UHFFFAOYSA-N -1 3 387.480 3.134 20 0 GGADHM CCOc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1Br ZINC000190365650 1432367804 /nfs/dbraw/zinc/36/78/04/1432367804.db2.gz ZOLSQXNSZRMPGF-UHFFFAOYSA-N -1 3 388.221 3.337 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)cc1 ZINC000190373303 1432369062 /nfs/dbraw/zinc/36/90/62/1432369062.db2.gz MLYMNPUQDPXLNG-UHFFFAOYSA-N -1 3 384.461 3.330 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1 ZINC000190380585 1432370350 /nfs/dbraw/zinc/37/03/50/1432370350.db2.gz QKUFJGWGEBFCEW-UHFFFAOYSA-N -1 3 385.445 3.077 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c([O-])c1 ZINC000190432393 1432380853 /nfs/dbraw/zinc/38/08/53/1432380853.db2.gz KBLIEAXSBOAZAW-UHFFFAOYSA-N -1 3 392.393 3.229 20 0 GGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c([O-])c1 ZINC000190696255 1432445512 /nfs/dbraw/zinc/44/55/12/1432445512.db2.gz YVSKCFHSTZUVGS-UHFFFAOYSA-N -1 3 390.842 3.345 20 0 GGADHM CCCCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c([O-])c1 ZINC000190828681 1432497299 /nfs/dbraw/zinc/49/72/99/1432497299.db2.gz HJDZWECYALYBQJ-BEFAXECRSA-N -1 3 386.492 3.187 20 0 GGADHM CCCCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c([O-])c1 ZINC000190828693 1432497585 /nfs/dbraw/zinc/49/75/85/1432497585.db2.gz HJDZWECYALYBQJ-HNAYVOBHSA-N -1 3 386.492 3.187 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2cc(Br)c(F)cc2C)c([O-])c1 ZINC000190884832 1432518634 /nfs/dbraw/zinc/51/86/34/1432518634.db2.gz KOGLCDWLLQTPJB-UHFFFAOYSA-N -1 3 396.216 3.377 20 0 GGADHM O=S(=O)(CCNCc1c([O-])ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000190888981 1432519991 /nfs/dbraw/zinc/51/99/91/1432519991.db2.gz QKLIKALUASKQLX-UHFFFAOYSA-N -1 3 378.252 3.402 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000190988429 1432544393 /nfs/dbraw/zinc/54/43/93/1432544393.db2.gz FMRVVEICMAYWBB-UHFFFAOYSA-N -1 3 396.484 3.022 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2csc(Cl)c2)c1 ZINC000191057010 1432559137 /nfs/dbraw/zinc/55/91/37/1432559137.db2.gz CYRZIWCQAVBLCF-UHFFFAOYSA-N -1 3 389.658 3.247 20 0 GGADHM CCc1cc2c(CN3CCSC[C@H]3c3cnn(C)c3)cc(=O)oc2cc1[O-] ZINC000191175045 1432582767 /nfs/dbraw/zinc/58/27/67/1432582767.db2.gz RNRMYBBCFRPRMC-KRWDZBQOSA-N -1 3 385.489 3.085 20 0 GGADHM Cc1cc(F)c(Br)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000191174961 1432583003 /nfs/dbraw/zinc/58/30/03/1432583003.db2.gz WLFSOPNSIKKFNJ-UHFFFAOYSA-N -1 3 376.185 3.385 20 0 GGADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc4c(cc3Cl)CCC4=O)cc12 ZINC000191229241 1432597388 /nfs/dbraw/zinc/59/73/88/1432597388.db2.gz ZEEZMRLHQZLSNN-UHFFFAOYSA-N -1 3 391.836 3.368 20 0 GGADHM [O-]c1ccc(Cl)c(F)c1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000191274605 1432617485 /nfs/dbraw/zinc/61/74/85/1432617485.db2.gz BYRJNYFSXVADFU-UHFFFAOYSA-N -1 3 384.801 3.271 20 0 GGADHM C[C@H]1CSCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000191290335 1432622322 /nfs/dbraw/zinc/62/23/22/1432622322.db2.gz KSVHSCTVMPOASR-UZLBHIALSA-N -1 3 398.528 3.465 20 0 GGADHM C[C@@H]1CCN(Cc2c([O-])ccc3cc(Br)ccc32)CCS1(=O)=O ZINC000191306759 1432627480 /nfs/dbraw/zinc/62/74/80/1432627480.db2.gz PHHJMMRAEUUFMP-GFCCVEGCSA-N -1 3 398.322 3.317 20 0 GGADHM CC[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000191444534 1432662838 /nfs/dbraw/zinc/66/28/38/1432662838.db2.gz KEKWPRGKIZAFFT-CQSZACIVSA-N -1 3 386.477 3.321 20 0 GGADHM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000191566728 1432684579 /nfs/dbraw/zinc/68/45/79/1432684579.db2.gz PWQJYAVWSVQPQA-UHFFFAOYSA-N -1 3 379.394 3.104 20 0 GGADHM Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000191798852 1432727834 /nfs/dbraw/zinc/72/78/34/1432727834.db2.gz MDYUEXLVSGXIBD-CYBMUJFWSA-N -1 3 398.290 3.423 20 0 GGADHM Cc1ccc(CN2CC[C@@H](NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1 ZINC000191809455 1432730366 /nfs/dbraw/zinc/73/03/66/1432730366.db2.gz FYTHLKUWEFAHTL-MRXNPFEDSA-N -1 3 389.839 3.153 20 0 GGADHM Cc1ccc(CN2CC[C@H](NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1 ZINC000191809444 1432730374 /nfs/dbraw/zinc/73/03/74/1432730374.db2.gz FYTHLKUWEFAHTL-INIZCTEOSA-N -1 3 389.839 3.153 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000191831067 1432734245 /nfs/dbraw/zinc/73/42/45/1432734245.db2.gz SXVSGWUTNXTFTF-NSHDSACASA-N -1 3 393.871 3.025 20 0 GGADHM CO[C@@](C)(C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000191874983 1432744628 /nfs/dbraw/zinc/74/46/28/1432744628.db2.gz ZTZUJFULIQIPTE-QGZVFWFLSA-N -1 3 385.222 3.455 20 0 GGADHM CN(CC(=O)Nc1cc(Br)ccc1[O-])C(=O)OCc1ccccc1 ZINC000191876204 1432744899 /nfs/dbraw/zinc/74/48/99/1432744899.db2.gz AHJUXFFOOBRBGK-UHFFFAOYSA-N -1 3 393.237 3.362 20 0 GGADHM Cc1ccc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(Cl)c1 ZINC000191951161 1432765153 /nfs/dbraw/zinc/76/51/53/1432765153.db2.gz KXNLSMWKUDTELM-HXUWFJFHSA-N -1 3 385.851 3.237 20 0 GGADHM CCCCc1nc(NC(=O)Cn2c(C)nc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000191963620 1432768275 /nfs/dbraw/zinc/76/82/75/1432768275.db2.gz INPPTLANKPKHGW-UHFFFAOYSA-N -1 3 383.452 3.226 20 0 GGADHM CCCCc1nc(NC(=O)c2ccc(-n3cncn3)cc2C)c(C(=O)OCC)[n-]1 ZINC000191963396 1432768727 /nfs/dbraw/zinc/76/87/27/1432768727.db2.gz DGPPOHJWBXPCFD-UHFFFAOYSA-N -1 3 396.451 3.070 20 0 GGADHM CCCCc1nc(NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)c(C(=O)OCC)[n-]1 ZINC000191964811 1432769311 /nfs/dbraw/zinc/76/93/11/1432769311.db2.gz VVQGVXMLBRASPB-LBPRGKRZSA-N -1 3 389.500 3.097 20 0 GGADHM COCCOc1ccc(CC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000192035928 1432783557 /nfs/dbraw/zinc/78/35/57/1432783557.db2.gz XDOSIHSNAFVNCE-UHFFFAOYSA-N -1 3 397.258 3.022 20 0 GGADHM CCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1cccc(C)c1 ZINC000192149770 1432808241 /nfs/dbraw/zinc/80/82/41/1432808241.db2.gz NDJUKTZUHMRNFC-UHFFFAOYSA-N -1 3 379.464 3.015 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC(c3noc(-c4ccccc4OC)n3)CC2)n1 ZINC000192343751 1432834439 /nfs/dbraw/zinc/83/44/39/1432834439.db2.gz ISSSWSYFNJKCDV-UHFFFAOYSA-N -1 3 395.463 3.183 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2ccc(C)cc2Cl)c1 ZINC000192346370 1432834699 /nfs/dbraw/zinc/83/46/99/1432834699.db2.gz QFZFTIDHPMWNKJ-UHFFFAOYSA-N -1 3 397.656 3.494 20 0 GGADHM COc1ccc(N[C@H]2CCc3c(cccc3OC)C2)cc1[N-]S(C)(=O)=O ZINC000192447166 1432845814 /nfs/dbraw/zinc/84/58/14/1432845814.db2.gz TXFGQHGXLCWEHX-AWEZNQCLSA-N -1 3 376.478 3.045 20 0 GGADHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1Cc1ccc(F)cc1 ZINC000192510645 1432852998 /nfs/dbraw/zinc/85/29/98/1432852998.db2.gz JJWHBQSCYSRPDJ-SFHVURJKSA-N -1 3 391.406 3.044 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000192522808 1432854591 /nfs/dbraw/zinc/85/45/91/1432854591.db2.gz UJCNZYWZDCONFV-CYBMUJFWSA-N -1 3 379.794 3.057 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000192531018 1432855676 /nfs/dbraw/zinc/85/56/76/1432855676.db2.gz FVOOJMDKXSGCLI-MRXNPFEDSA-N -1 3 395.532 3.493 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1 ZINC000192543666 1432857534 /nfs/dbraw/zinc/85/75/34/1432857534.db2.gz VZAPWLTXFQJUFY-HNNXBMFYSA-N -1 3 386.471 3.028 20 0 GGADHM COc1ccccc1[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1noc(C)n1 ZINC000192550824 1432858450 /nfs/dbraw/zinc/85/84/50/1432858450.db2.gz YZIXEHZDPHPQHF-OAHLLOKOSA-N -1 3 388.374 3.088 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@H](c3ccccc3Br)C2)n1 ZINC000192563582 1432860452 /nfs/dbraw/zinc/86/04/52/1432860452.db2.gz HXNIGJXRIDSXCX-WFASDCNBSA-N -1 3 378.270 3.388 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000192599641 1432864605 /nfs/dbraw/zinc/86/46/05/1432864605.db2.gz PYXQQOHTCYGJMC-AWEZNQCLSA-N -1 3 393.821 3.447 20 0 GGADHM CCc1nc(C2([N-]S(=O)(=O)c3cccc4c3OC(C)(C)C4)CCCC2)no1 ZINC000192639929 1432869973 /nfs/dbraw/zinc/86/99/73/1432869973.db2.gz ZNPFFQFTARGIKP-UHFFFAOYSA-N -1 3 391.493 3.093 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000192658682 1432872328 /nfs/dbraw/zinc/87/23/28/1432872328.db2.gz BNYIQTFKHPODDC-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000192658682 1432872329 /nfs/dbraw/zinc/87/23/29/1432872329.db2.gz BNYIQTFKHPODDC-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)cc1C ZINC000192713065 1432878674 /nfs/dbraw/zinc/87/86/74/1432878674.db2.gz QEUMLNZYRDVZCS-UHFFFAOYSA-N -1 3 399.476 3.101 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-]CCOc1ccc(C(F)(F)F)cn1 ZINC000192719192 1432879549 /nfs/dbraw/zinc/87/95/49/1432879549.db2.gz BGYJBUPEAGHGMV-UHFFFAOYSA-N -1 3 375.297 3.091 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)c2)n1 ZINC000192788481 1432890929 /nfs/dbraw/zinc/89/09/29/1432890929.db2.gz DZTBHQUUQFRFSO-UHFFFAOYSA-N -1 3 398.507 3.269 20 0 GGADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(O)cc1[O-] ZINC000192857732 1432899693 /nfs/dbraw/zinc/89/96/93/1432899693.db2.gz VUIUXQMXZBCZKR-UHFFFAOYSA-N -1 3 382.338 3.217 20 0 GGADHM O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ncccc1[O-] ZINC000192916086 1432907051 /nfs/dbraw/zinc/90/70/51/1432907051.db2.gz GJYMARBEQZEPDS-UHFFFAOYSA-N -1 3 381.461 3.035 20 0 GGADHM CC(C)c1ccc([C@H](NC(=O)CSc2nc3n[nH]cc3c(=O)[n-]2)C(C)C)cc1 ZINC000192943673 1432911088 /nfs/dbraw/zinc/91/10/88/1432911088.db2.gz WFBFPINPEBDGQU-QGZVFWFLSA-N -1 3 399.520 3.375 20 0 GGADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000192959775 1432913288 /nfs/dbraw/zinc/91/32/88/1432913288.db2.gz OXCONIOKNFMHKL-UHFFFAOYSA-N -1 3 387.823 3.040 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000193195124 1432955781 /nfs/dbraw/zinc/95/57/81/1432955781.db2.gz SYZSYNDLOAXMTR-CYBMUJFWSA-N -1 3 375.469 3.482 20 0 GGADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000193226273 1432962344 /nfs/dbraw/zinc/96/23/44/1432962344.db2.gz IQCIRDIXQLUDER-IBGZPJMESA-N -1 3 381.476 3.401 20 0 GGADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(O)cc1[O-] ZINC000193226924 1432962556 /nfs/dbraw/zinc/96/25/56/1432962556.db2.gz MPVKZVNBXQFDEU-UHFFFAOYSA-N -1 3 382.338 3.006 20 0 GGADHM C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193255203 1432968259 /nfs/dbraw/zinc/96/82/59/1432968259.db2.gz UOYXVCYECYPSPE-JTQLQIEISA-N -1 3 396.274 3.477 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)c(Cl)n1 ZINC000193333952 1432981149 /nfs/dbraw/zinc/98/11/49/1432981149.db2.gz UOLGCLCOCLMUMW-UHFFFAOYSA-N -1 3 389.864 3.054 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193334255 1432981193 /nfs/dbraw/zinc/98/11/93/1432981193.db2.gz LGJDAIMSPWIPOS-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc(O)cc1[O-] ZINC000193460716 1433003201 /nfs/dbraw/zinc/00/32/01/1433003201.db2.gz IBGCVIRHFZTJPH-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2)c1 ZINC000193460721 1433003273 /nfs/dbraw/zinc/00/32/73/1433003273.db2.gz YREZOCULCTWAJJ-UHFFFAOYSA-N -1 3 383.379 3.053 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccccc3)CC2)c1 ZINC000193469922 1433004689 /nfs/dbraw/zinc/00/46/89/1433004689.db2.gz UPZQIJWJIAZIFT-UHFFFAOYSA-N -1 3 391.427 3.403 20 0 GGADHM COC(=O)c1cnc(SCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)[n-]1 ZINC000193536106 1433016167 /nfs/dbraw/zinc/01/61/67/1433016167.db2.gz ITYHJZFCDOZFGN-MRVPVSSYSA-N -1 3 389.506 3.200 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[n-]1 ZINC000193548972 1433018297 /nfs/dbraw/zinc/01/82/97/1433018297.db2.gz HXJXSHBBPYWRAF-KRWDZBQOSA-N -1 3 395.484 3.389 20 0 GGADHM O=C(CCc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000193553462 1433018828 /nfs/dbraw/zinc/01/88/28/1433018828.db2.gz WQBZRWZLBWDJHK-UHFFFAOYSA-N -1 3 388.467 3.463 20 0 GGADHM CCOc1ccc([C@@H]2CCCN2C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000193601781 1433026934 /nfs/dbraw/zinc/02/69/34/1433026934.db2.gz TYLKMNLTHNCNRU-NRFANRHFSA-N -1 3 396.487 3.348 20 0 GGADHM O=C(NCC(F)(F)F)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000193617466 1433029760 /nfs/dbraw/zinc/02/97/60/1433029760.db2.gz OMNNJKODGSIHPG-UHFFFAOYSA-N -1 3 389.333 3.073 20 0 GGADHM O=S(=O)([N-]C1CCN(CCc2ccccc2)CC1)c1c(F)cc(F)cc1F ZINC000193705537 1433044054 /nfs/dbraw/zinc/04/40/54/1433044054.db2.gz XALBUTGOMNFVKC-UHFFFAOYSA-N -1 3 398.450 3.089 20 0 GGADHM CCCCN(CCCC)C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000193781407 1433058109 /nfs/dbraw/zinc/05/81/09/1433058109.db2.gz NZLRUILSKOSNFJ-UHFFFAOYSA-N -1 3 398.507 3.367 20 0 GGADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)c3cccc1c23 ZINC000193819992 1433066681 /nfs/dbraw/zinc/06/66/81/1433066681.db2.gz TYYSWBCOBJJOOO-UHFFFAOYSA-N -1 3 387.348 3.254 20 0 GGADHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000194145822 1433126460 /nfs/dbraw/zinc/12/64/60/1433126460.db2.gz AQEVAPNNLOEKTP-UHFFFAOYSA-N -1 3 377.433 3.254 20 0 GGADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000194171506 1433131410 /nfs/dbraw/zinc/13/14/10/1433131410.db2.gz KRRXWFHIDBCDBW-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000194259967 1433151155 /nfs/dbraw/zinc/15/11/55/1433151155.db2.gz RZMDNXIJUDSXOH-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM O=C(Cc1cccc(Cl)c1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000194323548 1433161518 /nfs/dbraw/zinc/16/15/18/1433161518.db2.gz AFYPDKWOJRDMTQ-UHFFFAOYSA-N -1 3 393.270 3.226 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000194592919 1433202755 /nfs/dbraw/zinc/20/27/55/1433202755.db2.gz UFEZZBVCYDZIJV-UHFFFAOYSA-N -1 3 396.472 3.431 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](C)c3ccccn3)nc(=O)c2c1C ZINC000194716738 1433219006 /nfs/dbraw/zinc/21/90/06/1433219006.db2.gz KFLRVJFBPPIVOL-NWDGAFQWSA-N -1 3 386.477 3.277 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@H](C)c3ccccn3)nc(=O)c2c1C ZINC000194716766 1433219163 /nfs/dbraw/zinc/21/91/63/1433219163.db2.gz KFLRVJFBPPIVOL-VXGBXAGGSA-N -1 3 386.477 3.277 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)c(C)c1 ZINC000194728953 1433221173 /nfs/dbraw/zinc/22/11/73/1433221173.db2.gz WJNTUKUWIKTYCL-UHFFFAOYSA-N -1 3 388.489 3.317 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000194733490 1433221718 /nfs/dbraw/zinc/22/17/18/1433221718.db2.gz SQPSZDSWFVZDNT-UHFFFAOYSA-N -1 3 390.852 3.078 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000194745451 1433223422 /nfs/dbraw/zinc/22/34/22/1433223422.db2.gz LTSALLHHNCXDIU-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000194745451 1433223424 /nfs/dbraw/zinc/22/34/24/1433223424.db2.gz LTSALLHHNCXDIU-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ncc(-c2ccccc2)o1 ZINC000194783616 1433231318 /nfs/dbraw/zinc/23/13/18/1433231318.db2.gz UUKUFKVANKFTAM-NSHDSACASA-N -1 3 386.458 3.386 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)ccc1N1CCCC1 ZINC000194791418 1433233337 /nfs/dbraw/zinc/23/33/37/1433233337.db2.gz CWCIQKHYMOCKJY-UHFFFAOYSA-N -1 3 387.505 3.098 20 0 GGADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000194799768 1433235465 /nfs/dbraw/zinc/23/54/65/1433235465.db2.gz GPSDFRJEWWLBBU-UHFFFAOYSA-N -1 3 394.403 3.003 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1F ZINC000194909843 1433262554 /nfs/dbraw/zinc/26/25/54/1433262554.db2.gz HAKYMCMYRBIIEV-QGZVFWFLSA-N -1 3 391.424 3.363 20 0 GGADHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000194943699 1433269832 /nfs/dbraw/zinc/26/98/32/1433269832.db2.gz UAQZHBFBAYJXTE-UHFFFAOYSA-N -1 3 393.165 3.436 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)N3CCc4ccccc43)c2)n1 ZINC000194956868 1433272455 /nfs/dbraw/zinc/27/24/55/1433272455.db2.gz ONPJUSOVWDLDNV-OAHLLOKOSA-N -1 3 388.471 3.389 20 0 GGADHM COc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000194990296 1433277727 /nfs/dbraw/zinc/27/77/27/1433277727.db2.gz OCYFVNKWRONMMY-UHFFFAOYSA-N -1 3 394.468 3.472 20 0 GGADHM CCCCOCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000195126770 1433296356 /nfs/dbraw/zinc/29/63/56/1433296356.db2.gz VIIIBNBSFGJGCY-UHFFFAOYSA-N -1 3 394.468 3.173 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)cc1F ZINC000195172132 1433302581 /nfs/dbraw/zinc/30/25/81/1433302581.db2.gz PDWQOYFOOCYAJM-UHFFFAOYSA-N -1 3 396.509 3.497 20 0 GGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1C(=O)N(C)C(C)C ZINC000195213387 1433308029 /nfs/dbraw/zinc/30/80/29/1433308029.db2.gz WXNJRAQIWCWJSA-XDHOZWIPSA-N -1 3 377.444 3.198 20 0 GGADHM C/C(=C\C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000195253236 1433312148 /nfs/dbraw/zinc/31/21/48/1433312148.db2.gz BEVUEOKHHGTFGD-OUKQBFOZSA-N -1 3 392.377 3.361 20 0 GGADHM O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(O)cc1[O-] ZINC000195267168 1433313682 /nfs/dbraw/zinc/31/36/82/1433313682.db2.gz XPEQNLAHEWMDHC-UHFFFAOYSA-N -1 3 377.322 3.232 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c(=O)[n-]1 ZINC000195326858 1433319523 /nfs/dbraw/zinc/31/95/23/1433319523.db2.gz LICDGHYRAMTPQX-LJQANCHMSA-N -1 3 391.475 3.080 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCc2csc3ccccc23)c1 ZINC000195669284 1433344276 /nfs/dbraw/zinc/34/42/76/1433344276.db2.gz JSXWQPNFVUPUPL-UHFFFAOYSA-N -1 3 393.461 3.348 20 0 GGADHM COc1cc(/C=C2/NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1[O-] ZINC000206315729 1433353742 /nfs/dbraw/zinc/35/37/42/1433353742.db2.gz MABACSVLYQLDJP-KPKJPENVSA-N -1 3 378.812 3.456 20 0 GGADHM CC(=O)N(c1nc(C=C2SC(=O)[N-]C2=O)cs1)c1ccc(F)cc1F ZINC000211364892 1433357282 /nfs/dbraw/zinc/35/72/82/1433357282.db2.gz FLOGMBTXEMGONS-LFYBBSHMSA-N -1 3 381.385 3.430 20 0 GGADHM COc1ccc2cc(/C=C\C(=O)OCC(=O)[N-]C(=O)c3cccs3)ccc2c1 ZINC000213987981 1433360802 /nfs/dbraw/zinc/36/08/02/1433360802.db2.gz HPGOZNNGBMZDPM-UITAMQMPSA-N -1 3 395.436 3.423 20 0 GGADHM O=C(NNC(=O)C1(c2ccc(Br)cc2)CCC1)c1ccccc1[O-] ZINC000219140019 1433365286 /nfs/dbraw/zinc/36/52/86/1433365286.db2.gz BBDZHLLXWWOEMU-UHFFFAOYSA-N -1 3 389.249 3.038 20 0 GGADHM Cc1cc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)c(C)n1C ZINC000222032941 1433366168 /nfs/dbraw/zinc/36/61/68/1433366168.db2.gz JMZFMJSZCWJNNY-SXGWCWSVSA-N -1 3 378.457 3.488 20 0 GGADHM O=C(NC1(c2ccccc2)CCC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000247733980 1433748248 /nfs/dbraw/zinc/74/82/48/1433748248.db2.gz JEYHHPOXELGOCQ-UHFFFAOYSA-N -1 3 388.464 3.076 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H](C)O1 ZINC000248417074 1433801087 /nfs/dbraw/zinc/80/10/87/1433801087.db2.gz QQXPLIFJFDCGMQ-NNNWTRQLSA-N -1 3 396.487 3.326 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000248532147 1433807303 /nfs/dbraw/zinc/80/73/03/1433807303.db2.gz YGZGJDYXLWXCTL-PWIZWCRZSA-N -1 3 389.411 3.009 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000248613464 1433811365 /nfs/dbraw/zinc/81/13/65/1433811365.db2.gz YEMAVXUDIAZIAT-ZULIPRJHSA-N -1 3 388.483 3.282 20 0 GGADHM [O-]C(c1ccccc1)=C1[C@H](c2ccsc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000249253012 1433839657 /nfs/dbraw/zinc/83/96/57/1433839657.db2.gz ZFFYCPHHYMMIRM-HUBLWGQQSA-N -1 3 386.420 3.017 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](OC)C3)nc(=O)c2c1C ZINC000253540739 1433868383 /nfs/dbraw/zinc/86/83/83/1433868383.db2.gz SLBGPCLKUUUJAV-VXGBXAGGSA-N -1 3 379.482 3.054 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H](C)O[C@H](CC)C3)nc(=O)c2c1C ZINC000253542210 1433868395 /nfs/dbraw/zinc/86/83/95/1433868395.db2.gz CJIUADLUYPAPKW-KGYLQXTDSA-N -1 3 393.509 3.442 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCO[C@@H](C)C3)nc(=O)c2c1C ZINC000253540716 1433868423 /nfs/dbraw/zinc/86/84/23/1433868423.db2.gz HAHNJRZVYVNUJC-CMPLNLGQSA-N -1 3 379.482 3.054 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCO[C@H](CC)C3)nc(=O)c2c1C ZINC000253604741 1433870098 /nfs/dbraw/zinc/87/00/98/1433870098.db2.gz WSPYOLQLMGDGAJ-VXGBXAGGSA-N -1 3 379.482 3.054 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H](C)OC(C)(C)C3)nc(=O)c2c1C ZINC000253613262 1433870598 /nfs/dbraw/zinc/87/05/98/1433870598.db2.gz QGGXRDGFBQTNQH-PWSUYJOCSA-N -1 3 393.509 3.442 20 0 GGADHM COc1cc(C=NNC(=O)CNc2ccc(C)cc2)cc(Br)c1[O-] ZINC000254556840 1433871543 /nfs/dbraw/zinc/87/15/43/1433871543.db2.gz RFGGVNLKDUVCHI-UHFFFAOYSA-N -1 3 392.253 3.034 20 0 GGADHM CCOc1cccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1OC(F)F ZINC000254939348 1433872543 /nfs/dbraw/zinc/87/25/43/1433872543.db2.gz GHQPXJBFRQSPHK-PTNGSMBKSA-N -1 3 388.370 3.087 20 0 GGADHM O=C1[N-]C(=O)/C(=C\NCc2ccccc2OCC(F)(F)F)c2ccccc21 ZINC000255148199 1433877562 /nfs/dbraw/zinc/87/75/62/1433877562.db2.gz FPNKHAGVTXBCDY-GDNBJRDFSA-N -1 3 376.334 3.028 20 0 GGADHM C/C(=C/C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000255326508 1433880470 /nfs/dbraw/zinc/88/04/70/1433880470.db2.gz OZMSSYIOWQRKLP-SQFISAMPSA-N -1 3 384.863 3.434 20 0 GGADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000255360091 1433881224 /nfs/dbraw/zinc/88/12/24/1433881224.db2.gz VXYVSJNXCHBQRL-SNGWPZLWSA-N -1 3 389.370 3.166 20 0 GGADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cn(Cc2cccc(F)c2)nn1 ZINC000255386735 1433881928 /nfs/dbraw/zinc/88/19/28/1433881928.db2.gz CUTGUTQJSDVKCA-SREVYHEPSA-N -1 3 396.407 3.333 20 0 GGADHM Cc1ccc(NCC(=O)NN=Cc2cc(Br)ccc2[O-])c(C)c1 ZINC000257350832 1433895070 /nfs/dbraw/zinc/89/50/70/1433895070.db2.gz ALPOZBXUAUAIPI-UHFFFAOYSA-N -1 3 376.254 3.334 20 0 GGADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000261435605 1433896186 /nfs/dbraw/zinc/89/61/86/1433896186.db2.gz DVEGEUVBIXTREX-ZDUSSCGKSA-N -1 3 381.839 3.389 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C4(N)CCC4)no3)cc2)cc1C ZINC000261617489 1433897399 /nfs/dbraw/zinc/89/73/99/1433897399.db2.gz BKKACYKDXVXCIK-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C4(N)CCC4)no3)c2)c1 ZINC000261657419 1433898353 /nfs/dbraw/zinc/89/83/53/1433898353.db2.gz FJAHWBXRCVZGOX-UHFFFAOYSA-N -1 3 384.461 3.184 20 0 GGADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(-c2nc(C3(N)CCC3)no2)c1 ZINC000261703742 1433899607 /nfs/dbraw/zinc/89/96/07/1433899607.db2.gz IHLAXJNVZRPJLE-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262076299 1433926035 /nfs/dbraw/zinc/92/60/35/1433926035.db2.gz DNPGXCYVIPTBNM-WTOJCKNJSA-N -1 3 380.872 3.171 20 0 GGADHM Cc1ccc([C@H](NC(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2cccs2)cc1 ZINC000262088156 1433926619 /nfs/dbraw/zinc/92/66/19/1433926619.db2.gz GBSGIRMSSOJJAK-RBDMOPTHSA-N -1 3 398.528 3.449 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000262871754 1433962899 /nfs/dbraw/zinc/96/28/99/1433962899.db2.gz DAMPJYSDGKEMKH-SFHVURJKSA-N -1 3 389.883 3.176 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2ccccc2)CC1 ZINC000263023890 1433978080 /nfs/dbraw/zinc/97/80/80/1433978080.db2.gz OTQKTGPFLKKBEA-MIZPHKNDSA-N -1 3 399.535 3.356 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000263101525 1433985418 /nfs/dbraw/zinc/98/54/18/1433985418.db2.gz BAAMIRMEKUNDHI-XLIONFOSSA-N -1 3 380.488 3.277 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000263113094 1433986810 /nfs/dbraw/zinc/98/68/10/1433986810.db2.gz BVDXAIRMYBEIOL-QMMLZNLJSA-N -1 3 380.488 3.129 20 0 GGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263367193 1434004054 /nfs/dbraw/zinc/00/40/54/1434004054.db2.gz UGDWEQFPJRKMJR-QAPCUYQASA-N -1 3 388.552 3.302 20 0 GGADHM COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263386193 1434004713 /nfs/dbraw/zinc/00/47/13/1434004713.db2.gz YCBSXYWDOCTJKW-KNBMTAEXSA-N -1 3 382.460 3.418 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc(OC)c1OCC(F)F ZINC000263395527 1434005256 /nfs/dbraw/zinc/00/52/56/1434005256.db2.gz GMOWWOXFSMPXRX-QGZVFWFLSA-N -1 3 381.375 3.263 20 0 GGADHM CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cccc(C(=O)[O-])c2)cn1 ZINC000263406416 1434005693 /nfs/dbraw/zinc/00/56/93/1434005693.db2.gz JZNZPQLVADMXGE-OAQYLSRUSA-N -1 3 379.460 3.337 20 0 GGADHM COc1ccc(-c2ccccc2C)cc1CN(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263430295 1434006406 /nfs/dbraw/zinc/00/64/06/1434006406.db2.gz RVNCYTAMCQGGAZ-MRXNPFEDSA-N -1 3 384.476 3.082 20 0 GGADHM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000263452047 1434006905 /nfs/dbraw/zinc/00/69/05/1434006905.db2.gz AURRZRUPDVWBQJ-UHFFFAOYSA-N -1 3 379.526 3.043 20 0 GGADHM COC(=O)c1ccccc1-c1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)o1 ZINC000263521857 1434011152 /nfs/dbraw/zinc/01/11/52/1434011152.db2.gz RHARNRQVOAAUSM-HUUCEWRRSA-N -1 3 397.349 3.428 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2cccc(Br)c2C)CC1 ZINC000263565236 1434013388 /nfs/dbraw/zinc/01/33/88/1434013388.db2.gz FJJPKWHGSNKSBK-INIZCTEOSA-N -1 3 397.313 3.045 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000263863681 1434043042 /nfs/dbraw/zinc/04/30/42/1434043042.db2.gz UOIIZGGZOIBEDO-IYBDPMFKSA-N -1 3 390.505 3.247 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N([C@H](C)C2CC2)C2CC2)cc1OC ZINC000263885986 1434045583 /nfs/dbraw/zinc/04/55/83/1434045583.db2.gz DIAYXNUUOXJZKO-GFCCVEGCSA-N -1 3 381.498 3.252 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000264357449 1434101736 /nfs/dbraw/zinc/10/17/36/1434101736.db2.gz AAGXXUGIZOXRJV-INIZCTEOSA-N -1 3 392.434 3.250 20 0 GGADHM COc1ccc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000264394610 1434106733 /nfs/dbraw/zinc/10/67/33/1434106733.db2.gz FLKZCUQCPUQIAA-ZDUSSCGKSA-N -1 3 378.469 3.166 20 0 GGADHM CCc1cc2c(CN[C@@H](C(=O)OC)c3ccc(OC)cc3)cc(=O)oc2cc1[O-] ZINC000264513058 1434122440 /nfs/dbraw/zinc/12/24/40/1434122440.db2.gz STGGLJBRAIUDTE-OAQYLSRUSA-N -1 3 397.427 3.074 20 0 GGADHM CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)on1 ZINC000265062868 1434179961 /nfs/dbraw/zinc/17/99/61/1434179961.db2.gz PXDZLHGYCSZPAF-UHFFFAOYSA-N -1 3 391.371 3.441 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)c(C)c1C ZINC000265328002 1434219418 /nfs/dbraw/zinc/21/94/18/1434219418.db2.gz XQLWJKHFIKBQOY-UHFFFAOYSA-N -1 3 378.450 3.080 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000265478246 1434238047 /nfs/dbraw/zinc/23/80/47/1434238047.db2.gz DDYXDIXYAIQQMK-WOJBJXKFSA-N -1 3 391.489 3.316 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1 ZINC000265613969 1434250573 /nfs/dbraw/zinc/25/05/73/1434250573.db2.gz IAOCKLUDVHHUTH-UHFFFAOYSA-N -1 3 377.462 3.362 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000265731355 1434261014 /nfs/dbraw/zinc/26/10/14/1434261014.db2.gz RVERWSYKNHXZNZ-KRWDZBQOSA-N -1 3 390.461 3.004 20 0 GGADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000265846745 1434271946 /nfs/dbraw/zinc/27/19/46/1434271946.db2.gz VKMXGKBZFKOEOD-GOSISDBHSA-N -1 3 388.439 3.431 20 0 GGADHM COc1ccc([O-])c(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 ZINC000265914953 1434282180 /nfs/dbraw/zinc/28/21/80/1434282180.db2.gz ABAJDZYNXRRGAU-LBPRGKRZSA-N -1 3 388.851 3.277 20 0 GGADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2cccc(C)c2)n1 ZINC000266253727 1434313879 /nfs/dbraw/zinc/31/38/79/1434313879.db2.gz CFLKCQPIUBTZCG-AWEZNQCLSA-N -1 3 387.461 3.234 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1N1CCOC1=O ZINC000266514930 1434345486 /nfs/dbraw/zinc/34/54/86/1434345486.db2.gz BYMLOCXIENSNBW-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)cc1C ZINC000266561782 1434349739 /nfs/dbraw/zinc/34/97/39/1434349739.db2.gz JQGONEJETXPNGE-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C ZINC000266730725 1434368562 /nfs/dbraw/zinc/36/85/62/1434368562.db2.gz NVCYRPYFFCEOQX-UHFFFAOYSA-N -1 3 391.489 3.284 20 0 GGADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000266823551 1434379054 /nfs/dbraw/zinc/37/90/54/1434379054.db2.gz GFLGYIAFCVNKCL-NSHDSACASA-N -1 3 399.476 3.044 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000266975590 1434394729 /nfs/dbraw/zinc/39/47/29/1434394729.db2.gz CYSSROCGPHVGQT-CQSZACIVSA-N -1 3 375.450 3.023 20 0 GGADHM Cc1nnc2n1C[C@@H](CNC(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000267025183 1434399861 /nfs/dbraw/zinc/39/98/61/1434399861.db2.gz RNDUCGRRTKFKFR-OAHLLOKOSA-N -1 3 378.432 3.077 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000267058274 1434404054 /nfs/dbraw/zinc/40/40/54/1434404054.db2.gz XARVXVCHUZJQRU-AWEZNQCLSA-N -1 3 375.450 3.023 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000267061848 1434404274 /nfs/dbraw/zinc/40/42/74/1434404274.db2.gz HCWJKZPGVDNTOB-HUUCEWRRSA-N -1 3 389.477 3.147 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccncc2F)CC1 ZINC000267132619 1434409459 /nfs/dbraw/zinc/40/94/59/1434409459.db2.gz FWYFRVJXYRXEIO-UHFFFAOYSA-N -1 3 377.803 3.071 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc[nH]c2=S)CC1 ZINC000267136248 1434409997 /nfs/dbraw/zinc/40/99/97/1434409997.db2.gz XNSOUCBKDNRRCH-UHFFFAOYSA-N -1 3 391.880 3.220 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ncc(C)s2)cc1OC ZINC000267335911 1434423737 /nfs/dbraw/zinc/42/37/37/1434423737.db2.gz BXUFBITTZVHPLJ-NSHDSACASA-N -1 3 398.510 3.104 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2csc(CCc3ccccc3)n2)c(=O)[n-]1 ZINC000267712648 1434457558 /nfs/dbraw/zinc/45/75/58/1434457558.db2.gz RBVSZVWAVCCHGX-UHFFFAOYSA-N -1 3 396.516 3.290 20 0 GGADHM CC[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000268196210 1434501016 /nfs/dbraw/zinc/50/10/16/1434501016.db2.gz FPLBYSKGLDJNHC-YOEHRIQHSA-N -1 3 380.872 3.180 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000268287514 1434508743 /nfs/dbraw/zinc/50/87/43/1434508743.db2.gz QZXCFGOLOBXILE-UKRRQHHQSA-N -1 3 395.475 3.366 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(CN3CCOCC3)nc3ccccc32)n1 ZINC000268391104 1434518432 /nfs/dbraw/zinc/51/84/32/1434518432.db2.gz ZCTFGFBLYMNOPN-CQSZACIVSA-N -1 3 397.504 3.119 20 0 GGADHM COc1cccc(C=C2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)c1 ZINC000268410087 1434519949 /nfs/dbraw/zinc/51/99/49/1434519949.db2.gz ANYNXRSMNUCCCZ-UHFFFAOYSA-N -1 3 381.476 3.446 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccc(OC)cc2OC)n1 ZINC000268577305 1434535979 /nfs/dbraw/zinc/53/59/79/1434535979.db2.gz JLJFCDUNIPIHIL-LLVKDONJSA-N -1 3 377.466 3.022 20 0 GGADHM Cc1nnc([C@@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)[nH]1 ZINC000268586747 1434537034 /nfs/dbraw/zinc/53/70/34/1434537034.db2.gz ODNXGPVMGHHJTR-GOSISDBHSA-N -1 3 376.460 3.429 20 0 GGADHM CSCCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000268617672 1434540529 /nfs/dbraw/zinc/54/05/29/1434540529.db2.gz JBJJOAVFLDQVRL-UHFFFAOYSA-N -1 3 399.516 3.288 20 0 GGADHM COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000268969665 1434577085 /nfs/dbraw/zinc/57/70/85/1434577085.db2.gz GDBZWSXTNHGZAZ-QWHCGFSZSA-N -1 3 386.477 3.261 20 0 GGADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C)n1C ZINC000269090517 1434590754 /nfs/dbraw/zinc/59/07/54/1434590754.db2.gz HCDULJZGWZEKOF-UHFFFAOYSA-N -1 3 389.883 3.492 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CSc3ccncc3)nc(=O)c2c1C ZINC000269404603 1434639641 /nfs/dbraw/zinc/63/96/41/1434639641.db2.gz HGGSTRNJCGGKHZ-UHFFFAOYSA-N -1 3 391.474 3.196 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000269696128 1434669863 /nfs/dbraw/zinc/66/98/63/1434669863.db2.gz LGFYCXGIHWKWFW-LBPRGKRZSA-N -1 3 399.438 3.003 20 0 GGADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000269892598 1434684781 /nfs/dbraw/zinc/68/47/81/1434684781.db2.gz BMWUTMLBYQCTQP-AWEZNQCLSA-N -1 3 386.448 3.289 20 0 GGADHM COc1cc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1[O-] ZINC000269895942 1434684869 /nfs/dbraw/zinc/68/48/69/1434684869.db2.gz CPKRPQMACWLYIJ-UHFFFAOYSA-N -1 3 386.448 3.045 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc(OC)c1[O-] ZINC000269943165 1434688714 /nfs/dbraw/zinc/68/87/14/1434688714.db2.gz NYLBGXIUJFSGFJ-HNNXBMFYSA-N -1 3 385.416 3.158 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1[O-] ZINC000269953617 1434689745 /nfs/dbraw/zinc/68/97/45/1434689745.db2.gz QOVXXFUOIYKNSE-LBPRGKRZSA-N -1 3 384.432 3.249 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)s1 ZINC000269962483 1434690649 /nfs/dbraw/zinc/69/06/49/1434690649.db2.gz JFQYQQDAOQGPFL-UGSOOPFHSA-N -1 3 396.534 3.055 20 0 GGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000269976547 1434691371 /nfs/dbraw/zinc/69/13/71/1434691371.db2.gz XLKTZTVVDIKRFZ-HNNXBMFYSA-N -1 3 387.432 3.404 20 0 GGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000269980444 1434691605 /nfs/dbraw/zinc/69/16/05/1434691605.db2.gz YMDWWCZKHHGNIO-UHFFFAOYSA-N -1 3 399.491 3.183 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c1 ZINC000270038079 1434695404 /nfs/dbraw/zinc/69/54/04/1434695404.db2.gz JHPCASKZIWWPFJ-UHFFFAOYSA-N -1 3 399.516 3.460 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000270051284 1434697140 /nfs/dbraw/zinc/69/71/40/1434697140.db2.gz NEXHBAXXLFCQSD-GFCCVEGCSA-N -1 3 396.447 3.126 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)ccc1OC(C)C ZINC000270085057 1434701127 /nfs/dbraw/zinc/70/11/27/1434701127.db2.gz RRJMYBMYRSXVSX-UHFFFAOYSA-N -1 3 389.477 3.024 20 0 GGADHM C[C@H](Sc1ncccc1C(=O)Nc1cc(F)ccc1[O-])C(=O)N1CCCC1 ZINC000270393107 1434729824 /nfs/dbraw/zinc/72/98/24/1434729824.db2.gz STVOXMNZVGAYJM-LBPRGKRZSA-N -1 3 389.452 3.282 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCc3ccsc3C2)cc1OC ZINC000270468440 1434736112 /nfs/dbraw/zinc/73/61/12/1434736112.db2.gz MNWUZYJCKRHSJA-UHFFFAOYSA-N -1 3 395.506 3.109 20 0 GGADHM O=C(NCCNC(=O)c1ccccc1CCC(F)(F)F)c1ccc([O-])cc1 ZINC000270519226 1434740677 /nfs/dbraw/zinc/74/06/77/1434740677.db2.gz RAZIHAHKVHNEQZ-UHFFFAOYSA-N -1 3 380.366 3.047 20 0 GGADHM O=C(Nc1ccccc1OCC1CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000270668421 1434759295 /nfs/dbraw/zinc/75/92/95/1434759295.db2.gz OVXFYOPZLWUOCG-UHFFFAOYSA-N -1 3 395.459 3.171 20 0 GGADHM COc1cc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc(OC)c1[O-] ZINC000270687722 1434762221 /nfs/dbraw/zinc/76/22/21/1434762221.db2.gz JBXKOTUPUNSLAH-UHFFFAOYSA-N -1 3 392.839 3.130 20 0 GGADHM COc1c(C)ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000270718500 1434766090 /nfs/dbraw/zinc/76/60/90/1434766090.db2.gz MOYVQVQBKHCKEE-UHFFFAOYSA-N -1 3 383.448 3.008 20 0 GGADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000270789911 1434775082 /nfs/dbraw/zinc/77/50/82/1434775082.db2.gz LJSMZSQVQHNICL-UHFFFAOYSA-N -1 3 391.468 3.339 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000270906260 1434786769 /nfs/dbraw/zinc/78/67/69/1434786769.db2.gz AMEVIMDUWZTNRC-AWEZNQCLSA-N -1 3 396.532 3.050 20 0 GGADHM COc1ccc(C[C@@H](C)CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000270936520 1434789135 /nfs/dbraw/zinc/78/91/35/1434789135.db2.gz MNLOLSCEFMWUNS-CYBMUJFWSA-N -1 3 389.448 3.035 20 0 GGADHM CCc1cccnc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000270968890 1434791867 /nfs/dbraw/zinc/79/18/67/1434791867.db2.gz PJDRAQYHYKORIF-UHFFFAOYSA-N -1 3 387.867 3.494 20 0 GGADHM COc1cc(C)c([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000270973622 1434792293 /nfs/dbraw/zinc/79/22/93/1434792293.db2.gz HSUVRCQLPQAOBE-LBPRGKRZSA-N -1 3 375.421 3.226 20 0 GGADHM COc1cc(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc(OC)c1[O-] ZINC000271019398 1434796366 /nfs/dbraw/zinc/79/63/66/1434796366.db2.gz NQPLSPPHPFHFOL-UHFFFAOYSA-N -1 3 399.365 3.418 20 0 GGADHM CCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C1CC1 ZINC000271183654 1434806755 /nfs/dbraw/zinc/80/67/55/1434806755.db2.gz DENVVXABRJVCCQ-UHFFFAOYSA-N -1 3 384.432 3.286 20 0 GGADHM C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000271211745 1434808423 /nfs/dbraw/zinc/80/84/23/1434808423.db2.gz BGFXIQYPBANWCY-AWEZNQCLSA-N -1 3 389.473 3.222 20 0 GGADHM CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000271224219 1434809245 /nfs/dbraw/zinc/80/92/45/1434809245.db2.gz DHLOCBZKEBZIOW-CQSZACIVSA-N -1 3 377.462 3.080 20 0 GGADHM CCCC(O)(CCC)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271233330 1434809852 /nfs/dbraw/zinc/80/98/52/1434809852.db2.gz BSAMFRSENZHEFY-UHFFFAOYSA-N -1 3 389.452 3.002 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1N1CCOC1=O ZINC000271321669 1434816016 /nfs/dbraw/zinc/81/60/16/1434816016.db2.gz OZFZUKCGVAYDKD-UHFFFAOYSA-N -1 3 388.445 3.077 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C12CCC2 ZINC000271325829 1434816356 /nfs/dbraw/zinc/81/63/56/1434816356.db2.gz YGNIXYLADQNLRR-QZTJIDSGSA-N -1 3 399.447 3.018 20 0 GGADHM CCO[C@@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C12CCC2 ZINC000271325839 1434816408 /nfs/dbraw/zinc/81/64/08/1434816408.db2.gz YGNIXYLADQNLRR-ZWKOTPCHSA-N -1 3 399.447 3.018 20 0 GGADHM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271357431 1434818763 /nfs/dbraw/zinc/81/87/63/1434818763.db2.gz XLCGIPANZWVIOO-UHFFFAOYSA-N -1 3 388.445 3.077 20 0 GGADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000271404875 1434822435 /nfs/dbraw/zinc/82/24/35/1434822435.db2.gz WKCYEKHXEGEDEG-UHFFFAOYSA-N -1 3 388.489 3.316 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc(OC)c1[O-] ZINC000271637590 1434840965 /nfs/dbraw/zinc/84/09/65/1434840965.db2.gz DKRMLKRIIUIWAN-KSSFIOAISA-N -1 3 395.814 3.462 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000271993271 1434864256 /nfs/dbraw/zinc/86/42/56/1434864256.db2.gz RSMXNMYQYJHZJJ-QZTJIDSGSA-N -1 3 398.507 3.195 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000271994082 1434864489 /nfs/dbraw/zinc/86/44/89/1434864489.db2.gz RSMXNMYQYJHZJJ-ZWKOTPCHSA-N -1 3 398.507 3.195 20 0 GGADHM COCCOc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000272104257 1434872361 /nfs/dbraw/zinc/87/23/61/1434872361.db2.gz PIILMOVAPOFEFO-AWEZNQCLSA-N -1 3 394.493 3.265 20 0 GGADHM COc1ccc(OC)c([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000272142485 1434874488 /nfs/dbraw/zinc/87/44/88/1434874488.db2.gz WPSJCISKQVWAOM-GFCCVEGCSA-N -1 3 380.466 3.257 20 0 GGADHM CCC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCOCC1 ZINC000272296594 1434885116 /nfs/dbraw/zinc/88/51/16/1434885116.db2.gz HVWBNIUZNOQJNA-UHFFFAOYSA-N -1 3 394.899 3.430 20 0 GGADHM C[C@@H]1C[C@H](CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000272525487 1434904251 /nfs/dbraw/zinc/90/42/51/1434904251.db2.gz IJMDDCNYTARKRF-LZJOCLMNSA-N -1 3 396.487 3.185 20 0 GGADHM CC(C)(CCCO)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272543585 1434906099 /nfs/dbraw/zinc/90/60/99/1434906099.db2.gz KYQMLISSYGACIK-HXUWFJFHSA-N -1 3 398.503 3.168 20 0 GGADHM COC(=O)c1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[nH]1 ZINC000272738035 1434927160 /nfs/dbraw/zinc/92/71/60/1434927160.db2.gz KGDLMYMWHYLDSH-UHFFFAOYSA-N -1 3 391.855 3.011 20 0 GGADHM COCc1nsc([N-]C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)n1 ZINC000273026426 1434951796 /nfs/dbraw/zinc/95/17/96/1434951796.db2.gz BHSLMHMJCJIURL-UHFFFAOYSA-N -1 3 397.382 3.450 20 0 GGADHM O=C([N-][C@@H]1CCCN(Cc2ccccn2)C1=O)C(F)(F)c1cccc(Cl)c1 ZINC000273146574 1434966424 /nfs/dbraw/zinc/96/64/24/1434966424.db2.gz LAWOWHGSXKPCDK-MRXNPFEDSA-N -1 3 393.821 3.134 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000273194378 1434971202 /nfs/dbraw/zinc/97/12/02/1434971202.db2.gz HOMKHCSTURDLNN-ZDUSSCGKSA-N -1 3 393.490 3.297 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000273194375 1434971204 /nfs/dbraw/zinc/97/12/04/1434971204.db2.gz HOMKHCSTURDLNN-CYBMUJFWSA-N -1 3 393.490 3.297 20 0 GGADHM O=C(c1cccnc1SCC1CCCCC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000273213673 1434972877 /nfs/dbraw/zinc/97/28/77/1434972877.db2.gz KBOJWNYIFVEQAQ-UHFFFAOYSA-N -1 3 384.505 3.448 20 0 GGADHM CC(C)Oc1ccc(-c2nc(C(=O)N3CCc4c(=O)[n-]cnc4C3)cs2)cc1 ZINC000273228182 1434973864 /nfs/dbraw/zinc/97/38/64/1434973864.db2.gz MBCTUDXFOUTAIA-UHFFFAOYSA-N -1 3 396.472 3.291 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273420718 1434987877 /nfs/dbraw/zinc/98/78/77/1434987877.db2.gz HCXOUERKEGHMAY-JKSUJKDBSA-N -1 3 375.396 3.199 20 0 GGADHM CC[C@H](CSC)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273469771 1434990678 /nfs/dbraw/zinc/99/06/78/1434990678.db2.gz HZOYIELEDLNENQ-CYBMUJFWSA-N -1 3 377.466 3.155 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000273496261 1434992290 /nfs/dbraw/zinc/99/22/90/1434992290.db2.gz PKNVEPGRPVKBPT-MRXNPFEDSA-N -1 3 387.436 3.017 20 0 GGADHM COc1cc(C(=O)N(CCCO)Cc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000273506756 1434993097 /nfs/dbraw/zinc/99/30/97/1434993097.db2.gz KPLOQFMOWYHWEZ-UHFFFAOYSA-N -1 3 379.840 3.088 20 0 GGADHM COCC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccco1 ZINC000273505687 1434993117 /nfs/dbraw/zinc/99/31/17/1434993117.db2.gz RUPJTYGEGSHACX-MRXNPFEDSA-N -1 3 399.403 3.042 20 0 GGADHM COCC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccco1 ZINC000273505683 1434993155 /nfs/dbraw/zinc/99/31/55/1434993155.db2.gz RUPJTYGEGSHACX-INIZCTEOSA-N -1 3 399.403 3.042 20 0 GGADHM CSCc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000273635430 1435001186 /nfs/dbraw/zinc/00/11/86/1435001186.db2.gz SADPLHZFHWOYMM-UHFFFAOYSA-N -1 3 385.489 3.245 20 0 GGADHM COc1cc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)cc(OC)c1[O-] ZINC000273815860 1435017635 /nfs/dbraw/zinc/01/76/35/1435017635.db2.gz BVDLQXZXHXITGB-UHFFFAOYSA-N -1 3 390.411 3.038 20 0 GGADHM COc1cc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc(OC)c1[O-] ZINC000273879698 1435024492 /nfs/dbraw/zinc/02/44/92/1435024492.db2.gz SBOGHXSGQQGKPN-KRWDZBQOSA-N -1 3 387.432 3.222 20 0 GGADHM COc1cc(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)cc(OC)c1[O-] ZINC000273982878 1435034374 /nfs/dbraw/zinc/03/43/74/1435034374.db2.gz UXKZVCONTDDZAM-INIZCTEOSA-N -1 3 395.415 3.041 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC3(C2)CCCCC3)cc1OC ZINC000274038891 1435038993 /nfs/dbraw/zinc/03/89/93/1435038993.db2.gz XPIKFPPVRRCANW-UHFFFAOYSA-N -1 3 381.498 3.255 20 0 GGADHM O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1c([O-])cccc1O ZINC000274470044 1435073268 /nfs/dbraw/zinc/07/32/68/1435073268.db2.gz MVTDSJIPZSQSRA-UHFFFAOYSA-N -1 3 378.432 3.259 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1(Cc2ccccc2)CC1 ZINC000274716480 1435087471 /nfs/dbraw/zinc/08/74/71/1435087471.db2.gz GOUTXUOCJHFPJI-UHFFFAOYSA-N -1 3 388.471 3.377 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000274780204 1435091850 /nfs/dbraw/zinc/09/18/50/1435091850.db2.gz YZQKIXHRHHPMDA-GOSISDBHSA-N -1 3 392.814 3.357 20 0 GGADHM CSCCCCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000274815618 1435094970 /nfs/dbraw/zinc/09/49/70/1435094970.db2.gz FMARAEMVLLVHQC-UHFFFAOYSA-N -1 3 377.466 3.204 20 0 GGADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274822023 1435095374 /nfs/dbraw/zinc/09/53/74/1435095374.db2.gz KCBIPEGDUCCFQA-SFHVURJKSA-N -1 3 391.468 3.291 20 0 GGADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274822023 1435095376 /nfs/dbraw/zinc/09/53/76/1435095376.db2.gz KCBIPEGDUCCFQA-SFHVURJKSA-N -1 3 391.468 3.291 20 0 GGADHM CS(=O)(=O)CCCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000274902007 1435102266 /nfs/dbraw/zinc/10/22/66/1435102266.db2.gz HDQIIGWGVARHPC-UHFFFAOYSA-N -1 3 377.462 3.129 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000274902174 1435102550 /nfs/dbraw/zinc/10/25/50/1435102550.db2.gz PVMOWLCUICLALA-HNNXBMFYSA-N -1 3 394.859 3.326 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC([O-])=NO[C@@H]2CCCCO2)C1 ZINC000274910583 1435103008 /nfs/dbraw/zinc/10/30/08/1435103008.db2.gz NCHFBAYAASPULB-RVKKMQEKSA-N -1 3 375.469 3.384 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000274910583 1435103009 /nfs/dbraw/zinc/10/30/09/1435103009.db2.gz NCHFBAYAASPULB-RVKKMQEKSA-N -1 3 375.469 3.384 20 0 GGADHM COCCOc1ccc(Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000274967008 1435106614 /nfs/dbraw/zinc/10/66/14/1435106614.db2.gz HSRFFPFOLZZBGQ-UHFFFAOYSA-N -1 3 386.404 3.075 20 0 GGADHM COc1cc(-c2nc(-c3ccc(N4CCCC4=O)cc3)no2)cc(OC)c1[O-] ZINC000274970810 1435106814 /nfs/dbraw/zinc/10/68/14/1435106814.db2.gz IFTJEEXNEVCZTJ-UHFFFAOYSA-N -1 3 381.388 3.253 20 0 GGADHM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000275233393 1435124881 /nfs/dbraw/zinc/12/48/81/1435124881.db2.gz FFOIEIRFDUSECS-BBRMVZONSA-N -1 3 385.361 3.053 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)CC1(O)CCCCCC1 ZINC000275264298 1435126837 /nfs/dbraw/zinc/12/68/37/1435126837.db2.gz OWBRXZLUJAJUMA-UHFFFAOYSA-N -1 3 398.507 3.029 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)cc1OC ZINC000275605416 1435152180 /nfs/dbraw/zinc/15/21/80/1435152180.db2.gz FKIBIQWYEXHPLO-JSGCOSHPSA-N -1 3 396.509 3.037 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@H](C)CC[C@@H]3CC)c2)n1 ZINC000275932269 1435180683 /nfs/dbraw/zinc/18/06/83/1435180683.db2.gz ADAKXTXKLCQGCI-DYVFJYSZSA-N -1 3 382.464 3.140 20 0 GGADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000276036004 1435186982 /nfs/dbraw/zinc/18/69/82/1435186982.db2.gz WURJXWPTCKAEPA-UHFFFAOYSA-N -1 3 397.784 3.471 20 0 GGADHM CCCOc1ccc(C(=O)CCC(=O)[N-]OC[C@@H]2CCOC2)cc1OCCC ZINC000276257030 1435200369 /nfs/dbraw/zinc/20/03/69/1435200369.db2.gz IDNUQEKLMUWYPL-MRXNPFEDSA-N -1 3 393.480 3.311 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000276395370 1435209127 /nfs/dbraw/zinc/20/91/27/1435209127.db2.gz VSHYLQXTLJLHPO-AWEZNQCLSA-N -1 3 394.397 3.285 20 0 GGADHM CCCCc1nc(NC(=O)c2ccc(F)c(NC(C)=O)c2)c(C(=O)OCC)[n-]1 ZINC000276746282 1435229591 /nfs/dbraw/zinc/22/95/91/1435229591.db2.gz FOINNUXCEOCBGI-UHFFFAOYSA-N -1 3 390.415 3.279 20 0 GGADHM CCCCc1nc(NC(=O)c2csc([C@@H]3CCCO3)n2)c(C(=O)OCC)[n-]1 ZINC000276891356 1435240677 /nfs/dbraw/zinc/24/06/77/1435240677.db2.gz NCEAHWYFKHZSKB-LBPRGKRZSA-N -1 3 392.481 3.489 20 0 GGADHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000276909870 1435242102 /nfs/dbraw/zinc/24/21/02/1435242102.db2.gz OVFHPEKOWQUSIS-AWEZNQCLSA-N -1 3 393.440 3.211 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC1CC(F)(F)C1 ZINC000277057545 1435257493 /nfs/dbraw/zinc/25/74/93/1435257493.db2.gz RATACZSJTUYVDJ-UHFFFAOYSA-N -1 3 398.406 3.462 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c(=O)[n-]1 ZINC000277243594 1435284202 /nfs/dbraw/zinc/28/42/02/1435284202.db2.gz YTJNUWXUDZKRPH-UHFFFAOYSA-N -1 3 387.455 3.079 20 0 GGADHM COc1cccc(CSC[C@H](NCc2cc(OC)ccc2OC)C(=O)[O-])c1 ZINC000277319485 1435293624 /nfs/dbraw/zinc/29/36/24/1435293624.db2.gz NVTDKBAIEYYKTD-SFHVURJKSA-N -1 3 391.489 3.189 20 0 GGADHM O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cc([O-])ccc1Cl ZINC000277373585 1435299759 /nfs/dbraw/zinc/29/97/59/1435299759.db2.gz JDFOUJUSIZWYOC-UHFFFAOYSA-N -1 3 376.815 3.219 20 0 GGADHM O=C([O-])c1ccc(N2CCC(NCc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000277380402 1435300320 /nfs/dbraw/zinc/30/03/20/1435300320.db2.gz QUEYDGOSGWONRH-UHFFFAOYSA-N -1 3 376.460 3.329 20 0 GGADHM COCCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000277406340 1435302348 /nfs/dbraw/zinc/30/23/48/1435302348.db2.gz SDVQXCPPZRYANC-SFHVURJKSA-N -1 3 389.448 3.035 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)[n-]1 ZINC000277518861 1435310032 /nfs/dbraw/zinc/31/00/32/1435310032.db2.gz COLMRJTYKYCKRK-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n[n-]1 ZINC000277518861 1435310035 /nfs/dbraw/zinc/31/00/35/1435310035.db2.gz COLMRJTYKYCKRK-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000277560581 1435313001 /nfs/dbraw/zinc/31/30/01/1435313001.db2.gz RODRICKBHLRGDY-UHFFFAOYSA-N -1 3 396.896 3.468 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)[n-]1 ZINC000277562553 1435313044 /nfs/dbraw/zinc/31/30/44/1435313044.db2.gz AKAAQFXBKNAKKW-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n[n-]1 ZINC000277562553 1435313045 /nfs/dbraw/zinc/31/30/45/1435313045.db2.gz AKAAQFXBKNAKKW-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCC[C@@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277587577 1435314821 /nfs/dbraw/zinc/31/48/21/1435314821.db2.gz CXVDPABUMZGAKS-QGZVFWFLSA-N -1 3 384.480 3.271 20 0 GGADHM CCC[C@@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277587577 1435314822 /nfs/dbraw/zinc/31/48/22/1435314822.db2.gz CXVDPABUMZGAKS-QGZVFWFLSA-N -1 3 384.480 3.271 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3)CC2)[n-]1 ZINC000277592533 1435314907 /nfs/dbraw/zinc/31/49/07/1435314907.db2.gz DLHGSOVKBCKXKV-CYBMUJFWSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3)CC2)n[n-]1 ZINC000277592533 1435314910 /nfs/dbraw/zinc/31/49/10/1435314910.db2.gz DLHGSOVKBCKXKV-CYBMUJFWSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)[n-]1 ZINC000277590609 1435315017 /nfs/dbraw/zinc/31/50/17/1435315017.db2.gz DFFAJCSYVOZZRR-UHFFFAOYSA-N -1 3 394.431 3.261 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)n[n-]1 ZINC000277590609 1435315020 /nfs/dbraw/zinc/31/50/20/1435315020.db2.gz DFFAJCSYVOZZRR-UHFFFAOYSA-N -1 3 394.431 3.261 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)[n-]1 ZINC000277607175 1435316058 /nfs/dbraw/zinc/31/60/58/1435316058.db2.gz FMNFBHNSRNQAGU-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n[n-]1 ZINC000277607175 1435316059 /nfs/dbraw/zinc/31/60/59/1435316059.db2.gz FMNFBHNSRNQAGU-UHFFFAOYSA-N -1 3 397.262 3.308 20 0 GGADHM Cc1cccc2c1CN(C(=O)CCc1c(C)nc(-c3ccncc3)[n-]c1=O)CC2 ZINC000277610407 1435316241 /nfs/dbraw/zinc/31/62/41/1435316241.db2.gz QUSFIWGFFOBNRQ-UHFFFAOYSA-N -1 3 388.471 3.379 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](CC)c3ccccc3)CC2)[n-]1 ZINC000277616052 1435316575 /nfs/dbraw/zinc/31/65/75/1435316575.db2.gz BILJLKDUWFRMEY-INIZCTEOSA-N -1 3 385.468 3.022 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](CC)c3ccccc3)CC2)n[n-]1 ZINC000277616052 1435316577 /nfs/dbraw/zinc/31/65/77/1435316577.db2.gz BILJLKDUWFRMEY-INIZCTEOSA-N -1 3 385.468 3.022 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](CC)c3ccccc3)CC2)[n-]1 ZINC000277616058 1435316587 /nfs/dbraw/zinc/31/65/87/1435316587.db2.gz BILJLKDUWFRMEY-MRXNPFEDSA-N -1 3 385.468 3.022 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](CC)c3ccccc3)CC2)n[n-]1 ZINC000277616058 1435316590 /nfs/dbraw/zinc/31/65/90/1435316590.db2.gz BILJLKDUWFRMEY-MRXNPFEDSA-N -1 3 385.468 3.022 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)[n-]1 ZINC000277615843 1435316667 /nfs/dbraw/zinc/31/66/67/1435316667.db2.gz GCFBRTBVVRMBAO-UHFFFAOYSA-N -1 3 387.484 3.000 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)n[n-]1 ZINC000277615843 1435316669 /nfs/dbraw/zinc/31/66/69/1435316669.db2.gz GCFBRTBVVRMBAO-UHFFFAOYSA-N -1 3 387.484 3.000 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](C)c3cccc(F)c3)CC2)[n-]1 ZINC000277692039 1435322301 /nfs/dbraw/zinc/32/23/01/1435322301.db2.gz LHNKQODFYKRGND-ZDUSSCGKSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](C)c3cccc(F)c3)CC2)n[n-]1 ZINC000277692039 1435322302 /nfs/dbraw/zinc/32/23/02/1435322302.db2.gz LHNKQODFYKRGND-ZDUSSCGKSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)[n-]1 ZINC000277753478 1435327185 /nfs/dbraw/zinc/32/71/85/1435327185.db2.gz PSBKCPWMZQUEKK-GFCCVEGCSA-N -1 3 390.871 3.145 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)n[n-]1 ZINC000277753478 1435327186 /nfs/dbraw/zinc/32/71/86/1435327186.db2.gz PSBKCPWMZQUEKK-GFCCVEGCSA-N -1 3 390.871 3.145 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](CC)c3ccc(F)cc3)CC2)[n-]1 ZINC000277785330 1435330133 /nfs/dbraw/zinc/33/01/33/1435330133.db2.gz SDBKOAWXARWZFP-MRXNPFEDSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](CC)c3ccc(F)cc3)CC2)n[n-]1 ZINC000277785330 1435330134 /nfs/dbraw/zinc/33/01/34/1435330134.db2.gz SDBKOAWXARWZFP-MRXNPFEDSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)[n-]1 ZINC000277804540 1435332296 /nfs/dbraw/zinc/33/22/96/1435332296.db2.gz OWTWDCGTPAMADY-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)n[n-]1 ZINC000277804540 1435332299 /nfs/dbraw/zinc/33/22/99/1435332299.db2.gz OWTWDCGTPAMADY-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)[n-]1 ZINC000277873178 1435338117 /nfs/dbraw/zinc/33/81/17/1435338117.db2.gz MNFOQYYCPYARAM-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n[n-]1 ZINC000277873178 1435338119 /nfs/dbraw/zinc/33/81/19/1435338119.db2.gz MNFOQYYCPYARAM-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM COc1ccc(CCNC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000277873170 1435338201 /nfs/dbraw/zinc/33/82/01/1435338201.db2.gz IFLLVIYUXVVLJY-UHFFFAOYSA-N -1 3 395.459 3.476 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCc3ccc(Cl)s3)CC2)[n-]1 ZINC000277882073 1435338873 /nfs/dbraw/zinc/33/88/73/1435338873.db2.gz ZGQRNYOLDXKSLV-UHFFFAOYSA-N -1 3 396.900 3.035 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)CCc3ccc(Cl)s3)CC2)n[n-]1 ZINC000277882073 1435338875 /nfs/dbraw/zinc/33/88/75/1435338875.db2.gz ZGQRNYOLDXKSLV-UHFFFAOYSA-N -1 3 396.900 3.035 20 0 GGADHM CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000278112869 1435360850 /nfs/dbraw/zinc/36/08/50/1435360850.db2.gz REHVMNISFWGJEJ-SMDDNHRTSA-N -1 3 394.415 3.077 20 0 GGADHM CC[C@@H](NC(=O)Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1)c1ccccc1 ZINC000278145384 1435364062 /nfs/dbraw/zinc/36/40/62/1435364062.db2.gz INUGFFRGVDCXAN-OAHLLOKOSA-N -1 3 397.431 3.269 20 0 GGADHM CC(C)(C)OC(=O)NCc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278154639 1435364767 /nfs/dbraw/zinc/36/47/67/1435364767.db2.gz SYVDEKMSHRIZKS-LBPRGKRZSA-N -1 3 387.358 3.089 20 0 GGADHM O=C1NC2(CCCC2)C(=O)N1CCc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000278157800 1435364964 /nfs/dbraw/zinc/36/49/64/1435364964.db2.gz MSTXWYDYANEZTL-UHFFFAOYSA-N -1 3 392.415 3.003 20 0 GGADHM CCc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1Cc1ccc(F)cc1 ZINC000278333497 1435381042 /nfs/dbraw/zinc/38/10/42/1435381042.db2.gz XGABKMNCZAJBHD-UHFFFAOYSA-N -1 3 382.371 3.069 20 0 GGADHM COc1ccccc1-c1noc([C@@H](C)[N-]C(=O)C(F)(F)c2ncccc2C)n1 ZINC000278346363 1435382235 /nfs/dbraw/zinc/38/22/35/1435382235.db2.gz MODZSGRQCQCVGF-GFCCVEGCSA-N -1 3 388.374 3.418 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCn3c(cc4c3cccc4Cl)C2)c(=O)[n-]1 ZINC000278538838 1435398223 /nfs/dbraw/zinc/39/82/23/1435398223.db2.gz NPRSIBWFIQPHJL-UHFFFAOYSA-N -1 3 384.867 3.382 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1C ZINC000278594319 1435403393 /nfs/dbraw/zinc/40/33/93/1435403393.db2.gz FKJKFMTUNHSISH-UHFFFAOYSA-N -1 3 389.477 3.262 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(c4cc(C)cc(C)c4)CC3)CC2)[n-]1 ZINC000278652820 1435410495 /nfs/dbraw/zinc/41/04/95/1435410495.db2.gz HLXJGECGTAFDSN-UHFFFAOYSA-N -1 3 396.491 3.036 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C3(c4cc(C)cc(C)c4)CC3)CC2)n[n-]1 ZINC000278652820 1435410498 /nfs/dbraw/zinc/41/04/98/1435410498.db2.gz HLXJGECGTAFDSN-UHFFFAOYSA-N -1 3 396.491 3.036 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000278711640 1435416482 /nfs/dbraw/zinc/41/64/82/1435416482.db2.gz WTYSMIUFURMPCJ-UHFFFAOYSA-N -1 3 384.398 3.045 20 0 GGADHM COc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000278758961 1435420824 /nfs/dbraw/zinc/42/08/24/1435420824.db2.gz OKKQETWRUZUBEG-UHFFFAOYSA-N -1 3 389.839 3.044 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](C)c3ccccc3C)CC2)[n-]1 ZINC000278821842 1435426881 /nfs/dbraw/zinc/42/68/81/1435426881.db2.gz PTEFEFJKINFAOF-HNNXBMFYSA-N -1 3 384.480 3.190 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](C)c3ccccc3C)CC2)n[n-]1 ZINC000278821842 1435426885 /nfs/dbraw/zinc/42/68/85/1435426885.db2.gz PTEFEFJKINFAOF-HNNXBMFYSA-N -1 3 384.480 3.190 20 0 GGADHM CCS(=O)(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000278965646 1435446528 /nfs/dbraw/zinc/44/65/28/1435446528.db2.gz ZVZSWOIFCMUSBC-UHFFFAOYSA-N -1 3 389.473 3.224 20 0 GGADHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000278974531 1435447645 /nfs/dbraw/zinc/44/76/45/1435447645.db2.gz OVFWNWBGAWCQNL-QGZVFWFLSA-N -1 3 376.840 3.464 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)c(C(C)=O)c2)cc1OC ZINC000279041614 1435454895 /nfs/dbraw/zinc/45/48/95/1435454895.db2.gz QJECUFXEOOBMNC-UHFFFAOYSA-N -1 3 390.461 3.220 20 0 GGADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1c[nH]c2ccccc21 ZINC000279187736 1435468989 /nfs/dbraw/zinc/46/89/89/1435468989.db2.gz MQQXTRLWDGHJJA-INIZCTEOSA-N -1 3 391.471 3.352 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCSC1 ZINC000279251784 1435477622 /nfs/dbraw/zinc/47/76/22/1435477622.db2.gz RZRLIPQFESPJPV-KXBFYZLASA-N -1 3 384.501 3.123 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000279368717 1435491720 /nfs/dbraw/zinc/49/17/20/1435491720.db2.gz FJACAEXJTDPMIV-UHFFFAOYSA-N -1 3 390.480 3.229 20 0 GGADHM CCc1cncc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000279523363 1435509406 /nfs/dbraw/zinc/50/94/06/1435509406.db2.gz RPUGTJQRWMWHIU-UHFFFAOYSA-N -1 3 387.867 3.494 20 0 GGADHM Cc1ccc([C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccccn2)cc1 ZINC000279642151 1435523098 /nfs/dbraw/zinc/52/30/98/1435523098.db2.gz ISQSYGHMUYBKNY-NRFANRHFSA-N -1 3 376.460 3.341 20 0 GGADHM C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000279710309 1435533709 /nfs/dbraw/zinc/53/37/09/1435533709.db2.gz ASKGGIJIXYGWTD-OCCSQVGLSA-N -1 3 392.883 3.228 20 0 GGADHM COC1(CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CCC(C)CC1 ZINC000279752859 1435538394 /nfs/dbraw/zinc/53/83/94/1435538394.db2.gz CVMAXJNGCPLQNW-UHFFFAOYSA-N -1 3 398.507 3.197 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000279764594 1435539942 /nfs/dbraw/zinc/53/99/42/1435539942.db2.gz GDZYTRITIDBLNA-LJQANCHMSA-N -1 3 392.434 3.428 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cnc(C(C)C)nc1 ZINC000280018766 1435577717 /nfs/dbraw/zinc/57/77/17/1435577717.db2.gz UEMWBROBUNUHGI-UHFFFAOYSA-N -1 3 378.436 3.037 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)[n-]1 ZINC000280142238 1435598715 /nfs/dbraw/zinc/59/87/15/1435598715.db2.gz QIUVHBNWXYOUEX-UHFFFAOYSA-N -1 3 394.834 3.102 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)n[n-]1 ZINC000280142238 1435598718 /nfs/dbraw/zinc/59/87/18/1435598718.db2.gz QIUVHBNWXYOUEX-UHFFFAOYSA-N -1 3 394.834 3.102 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)ccc1OC(C)C ZINC000280305022 1435631260 /nfs/dbraw/zinc/63/12/60/1435631260.db2.gz NXQUJMHDFCAJAY-CQSZACIVSA-N -1 3 379.482 3.200 20 0 GGADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000280457225 1435663876 /nfs/dbraw/zinc/66/38/76/1435663876.db2.gz GVDDHYNHELCACR-UWVGGRQHSA-N -1 3 392.399 3.021 20 0 GGADHM CCCc1nnc([N-]C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)s1 ZINC000280599794 1435686079 /nfs/dbraw/zinc/68/60/79/1435686079.db2.gz NZPWLJUTGKCYPA-UHFFFAOYSA-N -1 3 397.526 3.267 20 0 GGADHM CSc1nc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)n[n-]1 ZINC000280657596 1435699348 /nfs/dbraw/zinc/69/93/48/1435699348.db2.gz OGEFQTLOLZCXBY-UHFFFAOYSA-N -1 3 377.470 3.445 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCN(CC(F)F)CC3)c2)n1 ZINC000280766894 1435716930 /nfs/dbraw/zinc/71/69/30/1435716930.db2.gz BMLLWAPAVKLKPE-UHFFFAOYSA-N -1 3 390.434 3.327 20 0 GGADHM COc1cccc([C@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCCC2)c1 ZINC000280868216 1435733027 /nfs/dbraw/zinc/73/30/27/1435733027.db2.gz YBSCWMBIOSXASH-INIZCTEOSA-N -1 3 376.403 3.246 20 0 GGADHM Cc1ccccc1C[C@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000280873220 1435734317 /nfs/dbraw/zinc/73/43/17/1435734317.db2.gz BSZVAJBMLKHJTI-AWEZNQCLSA-N -1 3 385.430 3.026 20 0 GGADHM O=C([O-])[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000280990657 1435752411 /nfs/dbraw/zinc/75/24/11/1435752411.db2.gz KWCJDHXOMHVDKX-QFYYESIMSA-N -1 3 390.789 3.484 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1ccncc1OCC(F)(F)F ZINC000280997243 1435753450 /nfs/dbraw/zinc/75/34/50/1435753450.db2.gz AHWAAESUAGMBHA-UHFFFAOYSA-N -1 3 375.297 3.134 20 0 GGADHM O=C([N-]CC1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1)C(F)(F)F ZINC000281116187 1435777326 /nfs/dbraw/zinc/77/73/26/1435777326.db2.gz XPROUHGOCYBINM-INIZCTEOSA-N -1 3 383.414 3.238 20 0 GGADHM COc1cccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1OC(F)F ZINC000281117910 1435778259 /nfs/dbraw/zinc/77/82/59/1435778259.db2.gz BXTMKSFAVZCGIH-UHFFFAOYSA-N -1 3 396.356 3.187 20 0 GGADHM COc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Cl)c1OC ZINC000281213614 1435797641 /nfs/dbraw/zinc/79/76/41/1435797641.db2.gz JWTJBRZEJXYALN-UHFFFAOYSA-N -1 3 394.821 3.248 20 0 GGADHM C[C@H](c1nc(-c2ccccc2)no1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281296753 1435802908 /nfs/dbraw/zinc/80/29/08/1435802908.db2.gz JRGRMSDEUKGALG-GFCCVEGCSA-N -1 3 382.386 3.188 20 0 GGADHM O=C([N-]CC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1)C(F)(F)F ZINC000281299124 1435803024 /nfs/dbraw/zinc/80/30/24/1435803024.db2.gz POUBRNWSWOTZQY-UHFFFAOYSA-N -1 3 384.320 3.318 20 0 GGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281576914 1435814217 /nfs/dbraw/zinc/81/42/17/1435814217.db2.gz BDEJBEWTEHJZFE-MRXNPFEDSA-N -1 3 386.414 3.070 20 0 GGADHM O=C(CCc1c[nH]c2ccccc12)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281616842 1435815815 /nfs/dbraw/zinc/81/58/15/1435815815.db2.gz FMAXHZIOIAHHJG-UHFFFAOYSA-N -1 3 381.398 3.018 20 0 GGADHM O=C(CCCc1c[nH]c2ccccc12)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281621449 1435816019 /nfs/dbraw/zinc/81/60/19/1435816019.db2.gz FUXVFLGQIYTGTE-UHFFFAOYSA-N -1 3 395.425 3.408 20 0 GGADHM CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000281697895 1435818791 /nfs/dbraw/zinc/81/87/91/1435818791.db2.gz LUVIKUIMQFDZFF-OAHLLOKOSA-N -1 3 376.844 3.127 20 0 GGADHM CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000281705357 1435818965 /nfs/dbraw/zinc/81/89/65/1435818965.db2.gz WDYAQESGKXFKJA-UHFFFAOYSA-N -1 3 384.823 3.252 20 0 GGADHM O=C([N-]CC1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1)C(F)(F)F ZINC000281727098 1435819713 /nfs/dbraw/zinc/81/97/13/1435819713.db2.gz NUHHXZVMVQJMKY-UHFFFAOYSA-N -1 3 387.789 3.352 20 0 GGADHM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@H](C)c1ccccc1 ZINC000281726989 1435819757 /nfs/dbraw/zinc/81/97/57/1435819757.db2.gz CMZJPEUMDIRVOV-UONOGXRCSA-N -1 3 385.430 3.279 20 0 GGADHM Cc1cccc2c(CCC(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)c[nH]c21 ZINC000281742313 1435820286 /nfs/dbraw/zinc/82/02/86/1435820286.db2.gz OXEUBNVSIYIYEQ-UHFFFAOYSA-N -1 3 395.425 3.326 20 0 GGADHM CC[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000281777723 1435821628 /nfs/dbraw/zinc/82/16/28/1435821628.db2.gz UWSAAHUYHIZMEK-NHCUHLMSSA-N -1 3 396.487 3.281 20 0 GGADHM CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281792969 1435822305 /nfs/dbraw/zinc/82/23/05/1435822305.db2.gz IALZELOBYUTNKD-INIZCTEOSA-N -1 3 385.430 3.108 20 0 GGADHM CC[C@@H](Sc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281800714 1435822477 /nfs/dbraw/zinc/82/24/77/1435822477.db2.gz SWWRRLBWTYAZHI-OAHLLOKOSA-N -1 3 388.455 3.474 20 0 GGADHM O=C(C[C@H]1CCc2ccccc2C1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281800742 1435822491 /nfs/dbraw/zinc/82/24/91/1435822491.db2.gz SWXRZPILKJXBQV-HNNXBMFYSA-N -1 3 382.426 3.099 20 0 GGADHM CC1(c2ccccc2)CC(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000281871256 1435824848 /nfs/dbraw/zinc/82/48/48/1435824848.db2.gz NMZBNLFKWHMIDM-UHFFFAOYSA-N -1 3 397.441 3.207 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCN(C)C3=O)cc2C)cc1C ZINC000281873334 1435825025 /nfs/dbraw/zinc/82/50/25/1435825025.db2.gz CJTUIVPEZNJARX-IBGZPJMESA-N -1 3 388.489 3.022 20 0 GGADHM C[C@@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)Cc1cccs1 ZINC000281912514 1435826540 /nfs/dbraw/zinc/82/65/40/1435826540.db2.gz QKESIWOWGXBFMO-GFCCVEGCSA-N -1 3 391.459 3.027 20 0 GGADHM CCCCNc1ccccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281936320 1435827458 /nfs/dbraw/zinc/82/74/58/1435827458.db2.gz IMXYBBOWKIHQJY-UHFFFAOYSA-N -1 3 385.430 3.429 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000281935005 1435827461 /nfs/dbraw/zinc/82/74/61/1435827461.db2.gz BNWOXUAFIMQZOI-AWEZNQCLSA-N -1 3 390.434 3.427 20 0 GGADHM Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1C(=O)N1CCCCC1 ZINC000281969018 1435828938 /nfs/dbraw/zinc/82/89/38/1435828938.db2.gz FEGSJXCXUBOFHR-UHFFFAOYSA-N -1 3 381.411 3.284 20 0 GGADHM CC1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2)CC1 ZINC000282002383 1435830588 /nfs/dbraw/zinc/83/05/88/1435830588.db2.gz IXIQBYDFKJBCEY-UHFFFAOYSA-N -1 3 381.411 3.221 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC000282029813 1435831740 /nfs/dbraw/zinc/83/17/40/1435831740.db2.gz KCJWJPPSXYVVIF-LBPRGKRZSA-N -1 3 393.390 3.496 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(C)c(Cl)cc3C)CC2)[n-]1 ZINC000282040732 1435832146 /nfs/dbraw/zinc/83/21/46/1435832146.db2.gz YNSWXEDYAKZHKE-UHFFFAOYSA-N -1 3 390.871 3.271 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(C)c(Cl)cc3C)CC2)n[n-]1 ZINC000282040732 1435832148 /nfs/dbraw/zinc/83/21/48/1435832148.db2.gz YNSWXEDYAKZHKE-UHFFFAOYSA-N -1 3 390.871 3.271 20 0 GGADHM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000282273681 1435841243 /nfs/dbraw/zinc/84/12/43/1435841243.db2.gz DKKMKDIHAUCKQA-XWCIJXRUSA-N -1 3 380.872 3.036 20 0 GGADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000282331595 1435843337 /nfs/dbraw/zinc/84/33/37/1435843337.db2.gz UTZQHUDCAKMYCT-UHFFFAOYSA-N -1 3 381.411 3.330 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC23CCOCC3)c1 ZINC000282389465 1435845485 /nfs/dbraw/zinc/84/54/85/1435845485.db2.gz GZTFUVPZMODMHF-SFHVURJKSA-N -1 3 399.447 3.020 20 0 GGADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000282634716 1435854547 /nfs/dbraw/zinc/85/45/47/1435854547.db2.gz YXQYESSOTAEZMS-RBZFPXEDSA-N -1 3 398.438 3.152 20 0 GGADHM CCOc1cc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)ccc1OC ZINC000282902258 1435865351 /nfs/dbraw/zinc/86/53/51/1435865351.db2.gz YWQNVGCNKXWINZ-UHFFFAOYSA-N -1 3 380.466 3.086 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283105268 1435874693 /nfs/dbraw/zinc/87/46/93/1435874693.db2.gz PPENQBAAGPEGDR-UHFFFAOYSA-N -1 3 399.545 3.128 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(=O)[n-]1 ZINC000283482468 1435891888 /nfs/dbraw/zinc/89/18/88/1435891888.db2.gz CHEARPSURQBDRK-UHFFFAOYSA-N -1 3 394.397 3.248 20 0 GGADHM CC(C)(C(=O)N1CCc2nc[n-]c(=O)c2C1)c1csc(-c2cccs2)n1 ZINC000283615695 1435897944 /nfs/dbraw/zinc/89/79/44/1435897944.db2.gz UVTSHSUKZYHPIN-UHFFFAOYSA-N -1 3 386.502 3.230 20 0 GGADHM CCn1c(-c2ccccc2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000283750598 1435915646 /nfs/dbraw/zinc/91/56/46/1435915646.db2.gz KPKRRSYNMMCFBC-UHFFFAOYSA-N -1 3 395.429 3.168 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCc2nc3cc(Cl)ccc3s2)c(=O)[n-]1 ZINC000283888514 1435945264 /nfs/dbraw/zinc/94/52/64/1435945264.db2.gz DHPSAFRTFUHCDW-UHFFFAOYSA-N -1 3 390.896 3.354 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc2CC1 ZINC000284023361 1435974640 /nfs/dbraw/zinc/97/46/40/1435974640.db2.gz VZJBMZXQMIDBRY-UHFFFAOYSA-N -1 3 396.871 3.227 20 0 GGADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000284384654 1436017630 /nfs/dbraw/zinc/01/76/30/1436017630.db2.gz SEMRARFYOHPDRG-ZDUSSCGKSA-N -1 3 397.903 3.378 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000284384653 1436017649 /nfs/dbraw/zinc/01/76/49/1436017649.db2.gz SEMRARFYOHPDRG-CYBMUJFWSA-N -1 3 397.903 3.378 20 0 GGADHM COc1c(Cl)cc(Cl)cc1CNCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821698423 1441433108 /nfs/dbraw/zinc/43/31/08/1441433108.db2.gz JPQROIFVPSTYJI-UHFFFAOYSA-N -1 3 394.262 3.351 20 0 GGADHM COc1c(Cl)cc(Cl)cc1CNCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000821698423 1441433111 /nfs/dbraw/zinc/43/31/11/1441433111.db2.gz JPQROIFVPSTYJI-UHFFFAOYSA-N -1 3 394.262 3.351 20 0 GGADHM C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736129703 1441510617 /nfs/dbraw/zinc/51/06/17/1441510617.db2.gz FGQDFVDCTCKUTB-IFXJQAMLSA-N -1 3 376.464 3.325 20 0 GGADHM C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736129703 1441510621 /nfs/dbraw/zinc/51/06/21/1441510621.db2.gz FGQDFVDCTCKUTB-IFXJQAMLSA-N -1 3 376.464 3.325 20 0 GGADHM Clc1ccccc1C[C@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826353232 1441524461 /nfs/dbraw/zinc/52/44/61/1441524461.db2.gz HBUXKLAPXWVFIN-MRXNPFEDSA-N -1 3 393.882 3.375 20 0 GGADHM Clc1ccccc1C[C@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826353232 1441524464 /nfs/dbraw/zinc/52/44/64/1441524464.db2.gz HBUXKLAPXWVFIN-MRXNPFEDSA-N -1 3 393.882 3.375 20 0 GGADHM C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471996 1441524972 /nfs/dbraw/zinc/52/49/72/1441524972.db2.gz TZEUVGUECGRMBK-HNNXBMFYSA-N -1 3 390.491 3.195 20 0 GGADHM C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471996 1441524973 /nfs/dbraw/zinc/52/49/73/1441524973.db2.gz TZEUVGUECGRMBK-HNNXBMFYSA-N -1 3 390.491 3.195 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3)[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822541589 1441540658 /nfs/dbraw/zinc/54/06/58/1441540658.db2.gz OJCHMUXXIMXNHW-ZQIUZPCESA-N -1 3 394.479 3.282 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@H](c1cccs1)N(C)C ZINC000737264578 1441542968 /nfs/dbraw/zinc/54/29/68/1441542968.db2.gz SWRBTGUGUXLAGV-OAHLLOKOSA-N -1 3 397.483 3.061 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@H](c1cccs1)N(C)C ZINC000737264578 1441542969 /nfs/dbraw/zinc/54/29/69/1441542969.db2.gz SWRBTGUGUXLAGV-OAHLLOKOSA-N -1 3 397.483 3.061 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822199770 1441605857 /nfs/dbraw/zinc/60/58/57/1441605857.db2.gz HCEBHFHUVIFIJS-UHFFFAOYSA-N -1 3 386.550 3.398 20 0 GGADHM CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736761888 1441651411 /nfs/dbraw/zinc/65/14/11/1441651411.db2.gz VXMMOVQNNOLGMK-CYBMUJFWSA-N -1 3 395.364 3.134 20 0 GGADHM CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736761888 1441651413 /nfs/dbraw/zinc/65/14/13/1441651413.db2.gz VXMMOVQNNOLGMK-CYBMUJFWSA-N -1 3 395.364 3.134 20 0 GGADHM O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737892007 1441665285 /nfs/dbraw/zinc/66/52/85/1441665285.db2.gz QKJGEQXLTVQQRZ-MRXNPFEDSA-N -1 3 386.456 3.137 20 0 GGADHM O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737892007 1441665288 /nfs/dbraw/zinc/66/52/88/1441665288.db2.gz QKJGEQXLTVQQRZ-MRXNPFEDSA-N -1 3 386.456 3.137 20 0 GGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000824993389 1441690402 /nfs/dbraw/zinc/69/04/02/1441690402.db2.gz QKWYLYPMVZTRSN-BTYIYWSLSA-N -1 3 385.475 3.460 20 0 GGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000824993389 1441690405 /nfs/dbraw/zinc/69/04/05/1441690405.db2.gz QKWYLYPMVZTRSN-BTYIYWSLSA-N -1 3 385.475 3.460 20 0 GGADHM O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)Nc1sccc1-c1nn[n-]n1 ZINC000737890617 1441721701 /nfs/dbraw/zinc/72/17/01/1441721701.db2.gz BKFYVGHOCQTODX-OAHLLOKOSA-N -1 3 388.884 3.261 20 0 GGADHM CC(C)(C)[C@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735597181 1441744159 /nfs/dbraw/zinc/74/41/59/1441744159.db2.gz NDEAXEWBGOAGKX-WMZOPIPTSA-N -1 3 382.512 3.120 20 0 GGADHM CC(C)(C)[C@H]1CCCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597181 1441744161 /nfs/dbraw/zinc/74/41/61/1441744161.db2.gz NDEAXEWBGOAGKX-WMZOPIPTSA-N -1 3 382.512 3.120 20 0 GGADHM Cc1cccc(C)c1OCCN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737390132 1441772037 /nfs/dbraw/zinc/77/20/37/1441772037.db2.gz PNLDTOJCXOPHEW-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM Cc1cccc(C)c1OCCN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737390132 1441772041 /nfs/dbraw/zinc/77/20/41/1441772041.db2.gz PNLDTOJCXOPHEW-UHFFFAOYSA-N -1 3 393.491 3.406 20 0 GGADHM CCC[C@@H](NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825242291 1441821161 /nfs/dbraw/zinc/82/11/61/1441821161.db2.gz NIQTXJKSOAUSGW-DNVCBOLYSA-N -1 3 378.480 3.175 20 0 GGADHM CCC[C@@H](NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825242291 1441821164 /nfs/dbraw/zinc/82/11/64/1441821164.db2.gz NIQTXJKSOAUSGW-DNVCBOLYSA-N -1 3 378.480 3.175 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000822190826 1441835239 /nfs/dbraw/zinc/83/52/39/1441835239.db2.gz BSJFHOYHWOUBQV-HNNXBMFYSA-N -1 3 397.914 3.415 20 0 GGADHM CC(C)n1ncc2cc(CN[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cnc21 ZINC000824378049 1441851918 /nfs/dbraw/zinc/85/19/18/1441851918.db2.gz XEAFXYTZAXSYJD-LJQANCHMSA-N -1 3 388.479 3.360 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000822015139 1441902982 /nfs/dbraw/zinc/90/29/82/1441902982.db2.gz FBLWAVJMWWEVAS-INIZCTEOSA-N -1 3 399.543 3.317 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000822015139 1441902986 /nfs/dbraw/zinc/90/29/86/1441902986.db2.gz FBLWAVJMWWEVAS-INIZCTEOSA-N -1 3 399.543 3.317 20 0 GGADHM c1ccc2c(c1)-c1ccccc1C2N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826523728 1441912277 /nfs/dbraw/zinc/91/22/77/1441912277.db2.gz WECZICAEXYKXCR-UHFFFAOYSA-N -1 3 395.470 3.154 20 0 GGADHM c1ccc2c(c1)-c1ccccc1C2N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826523728 1441912279 /nfs/dbraw/zinc/91/22/79/1441912279.db2.gz WECZICAEXYKXCR-UHFFFAOYSA-N -1 3 395.470 3.154 20 0 GGADHM C[C@@H](COc1ccc(F)cc1F)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824441349 1441917830 /nfs/dbraw/zinc/91/78/30/1441917830.db2.gz OWIXNHURHLINND-QWRGUYRKSA-N -1 3 377.370 3.402 20 0 GGADHM C[C@@H](COc1ccc(F)cc1F)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824441349 1441917832 /nfs/dbraw/zinc/91/78/32/1441917832.db2.gz OWIXNHURHLINND-QWRGUYRKSA-N -1 3 377.370 3.402 20 0 GGADHM CCCN(C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825301886 1441970686 /nfs/dbraw/zinc/97/06/86/1441970686.db2.gz RTXWEADYCOJCSN-OAHLLOKOSA-N -1 3 378.480 3.053 20 0 GGADHM CCCN(C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825301886 1441970690 /nfs/dbraw/zinc/97/06/90/1441970690.db2.gz RTXWEADYCOJCSN-OAHLLOKOSA-N -1 3 378.480 3.053 20 0 GGADHM C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824961876 1441977395 /nfs/dbraw/zinc/97/73/95/1441977395.db2.gz KGHHSOLBNAKJFR-MRXNPFEDSA-N -1 3 377.496 3.349 20 0 GGADHM C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824961876 1441977397 /nfs/dbraw/zinc/97/73/97/1441977397.db2.gz KGHHSOLBNAKJFR-MRXNPFEDSA-N -1 3 377.496 3.349 20 0 GGADHM CCCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001139852943 1441993914 /nfs/dbraw/zinc/99/39/14/1441993914.db2.gz BMAIGLSEMBNIFQ-INIZCTEOSA-N -1 3 378.480 3.414 20 0 GGADHM C[C@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(C(C)(C)C)cc1 ZINC000824563403 1442009771 /nfs/dbraw/zinc/00/97/71/1442009771.db2.gz NTDOZOGUKVNIOW-HNNXBMFYSA-N -1 3 392.507 3.131 20 0 GGADHM C[C@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(C(C)(C)C)cc1 ZINC000824563403 1442009774 /nfs/dbraw/zinc/00/97/74/1442009774.db2.gz NTDOZOGUKVNIOW-HNNXBMFYSA-N -1 3 392.507 3.131 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825668724 1442070014 /nfs/dbraw/zinc/07/00/14/1442070014.db2.gz JBOFZVZVTLOJJG-UONOGXRCSA-N -1 3 385.493 3.072 20 0 GGADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825668724 1442070016 /nfs/dbraw/zinc/07/00/16/1442070016.db2.gz JBOFZVZVTLOJJG-UONOGXRCSA-N -1 3 385.493 3.072 20 0 GGADHM Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822242145 1442135856 /nfs/dbraw/zinc/13/58/56/1442135856.db2.gz BNUPKQZATOWWAN-AWEZNQCLSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822242145 1442135860 /nfs/dbraw/zinc/13/58/60/1442135860.db2.gz BNUPKQZATOWWAN-AWEZNQCLSA-N -1 3 382.443 3.130 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824554201 1442162249 /nfs/dbraw/zinc/16/22/49/1442162249.db2.gz NMSZTAXRYVHFSX-XOBRGWDASA-N -1 3 396.470 3.170 20 0 GGADHM CC(C)[C@H](NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824554201 1442162255 /nfs/dbraw/zinc/16/22/55/1442162255.db2.gz NMSZTAXRYVHFSX-XOBRGWDASA-N -1 3 396.470 3.170 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC2(CCCC2)C1 ZINC000819877273 1442168802 /nfs/dbraw/zinc/16/88/02/1442168802.db2.gz RYKOYIQPOYTLMK-LBPRGKRZSA-N -1 3 386.525 3.010 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000737033401 1442179401 /nfs/dbraw/zinc/17/94/01/1442179401.db2.gz VBXZZEYXOBXSNQ-QGZVFWFLSA-N -1 3 383.427 3.230 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000737033401 1442179409 /nfs/dbraw/zinc/17/94/09/1442179409.db2.gz VBXZZEYXOBXSNQ-QGZVFWFLSA-N -1 3 383.427 3.230 20 0 GGADHM CCCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825307917 1442250034 /nfs/dbraw/zinc/25/00/34/1442250034.db2.gz RBUAHBSAFPKOJV-LBPRGKRZSA-N -1 3 376.530 3.256 20 0 GGADHM CCCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825307917 1442250038 /nfs/dbraw/zinc/25/00/38/1442250038.db2.gz RBUAHBSAFPKOJV-LBPRGKRZSA-N -1 3 376.530 3.256 20 0 GGADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821618926 1442282155 /nfs/dbraw/zinc/28/21/55/1442282155.db2.gz BPBSEXDNWWNAMX-MRXNPFEDSA-N -1 3 383.887 3.016 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@H]2CCOC2)c1 ZINC000826288459 1442319303 /nfs/dbraw/zinc/31/93/03/1442319303.db2.gz IACQNFKRBZWUAI-SJORKVTESA-N -1 3 393.491 3.441 20 0 GGADHM Cc1ccc(CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@H]2CCOC2)c1 ZINC000826288459 1442319307 /nfs/dbraw/zinc/31/93/07/1442319307.db2.gz IACQNFKRBZWUAI-SJORKVTESA-N -1 3 393.491 3.441 20 0 GGADHM CCCN1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736480298 1442368480 /nfs/dbraw/zinc/36/84/80/1442368480.db2.gz KAHNSFUWRAMJSQ-INIZCTEOSA-N -1 3 396.520 3.086 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1F)C[C@H](O)c1ccc(F)cc1 ZINC000735832331 1442403271 /nfs/dbraw/zinc/40/32/71/1442403271.db2.gz ZTJDBJLILGAVOY-IBGZPJMESA-N -1 3 387.434 3.337 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1F)C[C@H](O)c1ccc(F)cc1 ZINC000735832331 1442403274 /nfs/dbraw/zinc/40/32/74/1442403274.db2.gz ZTJDBJLILGAVOY-IBGZPJMESA-N -1 3 387.434 3.337 20 0 GGADHM Cc1ccc(NC(=O)C[C@@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000826290568 1442427075 /nfs/dbraw/zinc/42/70/75/1442427075.db2.gz QMPNRQOYUCELHM-CQSZACIVSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1ccc(NC(=O)C[C@@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000826290568 1442427078 /nfs/dbraw/zinc/42/70/78/1442427078.db2.gz QMPNRQOYUCELHM-CQSZACIVSA-N -1 3 382.443 3.130 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826341656 1442432113 /nfs/dbraw/zinc/43/21/13/1442432113.db2.gz MSUHEZDZJAOPJQ-SJKOYZFVSA-N -1 3 380.452 3.144 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826341656 1442432116 /nfs/dbraw/zinc/43/21/16/1442432116.db2.gz MSUHEZDZJAOPJQ-SJKOYZFVSA-N -1 3 380.452 3.144 20 0 GGADHM COc1cccc([C@H](C)N2CCN([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737120439 1442453151 /nfs/dbraw/zinc/45/31/51/1442453151.db2.gz AHGJOQWAZLFONE-IRXDYDNUSA-N -1 3 392.507 3.315 20 0 GGADHM COc1cccc([C@H](C)N2CCN([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737120439 1442453155 /nfs/dbraw/zinc/45/31/55/1442453155.db2.gz AHGJOQWAZLFONE-IRXDYDNUSA-N -1 3 392.507 3.315 20 0 GGADHM CCN1CCN(Cc2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000825460479 1442470757 /nfs/dbraw/zinc/47/07/57/1442470757.db2.gz YFQGOWKCAOCLHW-QGZVFWFLSA-N -1 3 391.523 3.177 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820402392 1442472258 /nfs/dbraw/zinc/47/22/58/1442472258.db2.gz DERWAIIXRKPNEP-KGLIPLIRSA-N -1 3 394.504 3.045 20 0 GGADHM c1ccc([C@@H]2CSCCN2CCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738428205 1442479880 /nfs/dbraw/zinc/47/98/80/1442479880.db2.gz MDYUEPPVXAXDKQ-IBGZPJMESA-N -1 3 381.505 3.426 20 0 GGADHM c1ccc([C@@H]2CSCCN2CCCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738428205 1442479883 /nfs/dbraw/zinc/47/98/83/1442479883.db2.gz MDYUEPPVXAXDKQ-IBGZPJMESA-N -1 3 381.505 3.426 20 0 GGADHM COc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000821777760 1442492817 /nfs/dbraw/zinc/49/28/17/1442492817.db2.gz MFVHREBQKUVHMV-CHWSQXEVSA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821777760 1442492818 /nfs/dbraw/zinc/49/28/18/1442492818.db2.gz MFVHREBQKUVHMV-CHWSQXEVSA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000826184077 1443065282 /nfs/dbraw/zinc/06/52/82/1443065282.db2.gz KBFSQGBWFNHKTD-XIKOKIGWSA-N -1 3 387.871 3.395 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000826184077 1443065284 /nfs/dbraw/zinc/06/52/84/1443065284.db2.gz KBFSQGBWFNHKTD-XIKOKIGWSA-N -1 3 387.871 3.395 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820414064 1443148861 /nfs/dbraw/zinc/14/88/61/1443148861.db2.gz WZISBAKGWFCLPI-KBPBESRZSA-N -1 3 387.447 3.093 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820414064 1443148864 /nfs/dbraw/zinc/14/88/64/1443148864.db2.gz WZISBAKGWFCLPI-KBPBESRZSA-N -1 3 387.447 3.093 20 0 GGADHM CC(C)(C)[C@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824072192 1443205140 /nfs/dbraw/zinc/20/51/40/1443205140.db2.gz STBYWQBUYLJPGJ-GOSISDBHSA-N -1 3 399.520 3.017 20 0 GGADHM CC(C)(C)[C@H](NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824072192 1443205145 /nfs/dbraw/zinc/20/51/45/1443205145.db2.gz STBYWQBUYLJPGJ-GOSISDBHSA-N -1 3 399.520 3.017 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000822220178 1443237825 /nfs/dbraw/zinc/23/78/25/1443237825.db2.gz HFJVTFCOTSRUQJ-KRWDZBQOSA-N -1 3 399.886 3.253 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000822220178 1443237829 /nfs/dbraw/zinc/23/78/29/1443237829.db2.gz HFJVTFCOTSRUQJ-KRWDZBQOSA-N -1 3 399.886 3.253 20 0 GGADHM CCN(C(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000825372364 1443263555 /nfs/dbraw/zinc/26/35/55/1443263555.db2.gz WFPOQPZVHRCRAR-CABCVRRESA-N -1 3 396.470 3.266 20 0 GGADHM CCN(C(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000825372364 1443263561 /nfs/dbraw/zinc/26/35/61/1443263561.db2.gz WFPOQPZVHRCRAR-CABCVRRESA-N -1 3 396.470 3.266 20 0 GGADHM C[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569032 1443280995 /nfs/dbraw/zinc/28/09/95/1443280995.db2.gz FYLLXUWGXBCJAK-QFYYESIMSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824569032 1443280997 /nfs/dbraw/zinc/28/09/97/1443280997.db2.gz FYLLXUWGXBCJAK-QFYYESIMSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736269988 1443321791 /nfs/dbraw/zinc/32/17/91/1443321791.db2.gz IBBUEXZYXOBVPF-UZLBHIALSA-N -1 3 385.512 3.305 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736269988 1443321799 /nfs/dbraw/zinc/32/17/99/1443321799.db2.gz IBBUEXZYXOBVPF-UZLBHIALSA-N -1 3 385.512 3.305 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)Cc1cc2ccccc2o1 ZINC000821702366 1443347184 /nfs/dbraw/zinc/34/71/84/1443347184.db2.gz QZFPAYHGZUWJIJ-UHFFFAOYSA-N -1 3 379.420 3.132 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)Cc1cc2ccccc2o1 ZINC000821702366 1443347188 /nfs/dbraw/zinc/34/71/88/1443347188.db2.gz QZFPAYHGZUWJIJ-UHFFFAOYSA-N -1 3 379.420 3.132 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611934 1443383413 /nfs/dbraw/zinc/38/34/13/1443383413.db2.gz GAWZIDCTFWRRJX-CQSZACIVSA-N -1 3 394.454 3.093 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824611934 1443383417 /nfs/dbraw/zinc/38/34/17/1443383417.db2.gz GAWZIDCTFWRRJX-CQSZACIVSA-N -1 3 394.454 3.093 20 0 GGADHM C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611932 1443438934 /nfs/dbraw/zinc/43/89/34/1443438934.db2.gz GAWZIDCTFWRRJX-AWEZNQCLSA-N -1 3 394.454 3.093 20 0 GGADHM C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824611932 1443438935 /nfs/dbraw/zinc/43/89/35/1443438935.db2.gz GAWZIDCTFWRRJX-AWEZNQCLSA-N -1 3 394.454 3.093 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)C[C@@H]1CC=CCC1 ZINC000824052143 1443492253 /nfs/dbraw/zinc/49/22/53/1443492253.db2.gz LOTPZECMNXCYND-QWHCGFSZSA-N -1 3 386.525 3.032 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)C[C@@H]1CC=CCC1 ZINC000824052143 1443492254 /nfs/dbraw/zinc/49/22/54/1443492254.db2.gz LOTPZECMNXCYND-QWHCGFSZSA-N -1 3 386.525 3.032 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000736331520 1443573400 /nfs/dbraw/zinc/57/34/00/1443573400.db2.gz QAZDRUJNZJXXJB-VXGBXAGGSA-N -1 3 376.892 3.358 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000736331520 1443573406 /nfs/dbraw/zinc/57/34/06/1443573406.db2.gz QAZDRUJNZJXXJB-VXGBXAGGSA-N -1 3 376.892 3.358 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824528486 1443584059 /nfs/dbraw/zinc/58/40/59/1443584059.db2.gz AIYZZCKRSFTPFU-CVEARBPZSA-N -1 3 392.507 3.440 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824528486 1443584061 /nfs/dbraw/zinc/58/40/61/1443584061.db2.gz AIYZZCKRSFTPFU-CVEARBPZSA-N -1 3 392.507 3.440 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820413814 1443596721 /nfs/dbraw/zinc/59/67/21/1443596721.db2.gz VYYAXSLVJRJNQB-MCIONIFRSA-N -1 3 398.898 3.437 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820413814 1443596724 /nfs/dbraw/zinc/59/67/24/1443596724.db2.gz VYYAXSLVJRJNQB-MCIONIFRSA-N -1 3 398.898 3.437 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000736697751 1443597400 /nfs/dbraw/zinc/59/74/00/1443597400.db2.gz AYXLZUQUHRAJER-ZDUSSCGKSA-N -1 3 399.524 3.216 20 0 GGADHM CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000736697751 1443597402 /nfs/dbraw/zinc/59/74/02/1443597402.db2.gz AYXLZUQUHRAJER-ZDUSSCGKSA-N -1 3 399.524 3.216 20 0 GGADHM C[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569033 1443642152 /nfs/dbraw/zinc/64/21/52/1443642152.db2.gz FYLLXUWGXBCJAK-QLJPJBMISA-N -1 3 395.360 3.409 20 0 GGADHM C[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824569033 1443642154 /nfs/dbraw/zinc/64/21/54/1443642154.db2.gz FYLLXUWGXBCJAK-QLJPJBMISA-N -1 3 395.360 3.409 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(CN2CCSCC2)c1 ZINC000822743784 1443642695 /nfs/dbraw/zinc/64/26/95/1443642695.db2.gz FVKFUFDPEOLXAN-UHFFFAOYSA-N -1 3 384.484 3.167 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(CN2CCSCC2)c1 ZINC000822743784 1443642700 /nfs/dbraw/zinc/64/27/00/1443642700.db2.gz FVKFUFDPEOLXAN-UHFFFAOYSA-N -1 3 384.484 3.167 20 0 GGADHM C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577141 1443658759 /nfs/dbraw/zinc/65/87/59/1443658759.db2.gz HGPKTDBPKRAVQP-GXTWGEPZSA-N -1 3 390.463 3.056 20 0 GGADHM C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577141 1443658761 /nfs/dbraw/zinc/65/87/61/1443658761.db2.gz HGPKTDBPKRAVQP-GXTWGEPZSA-N -1 3 390.463 3.056 20 0 GGADHM c1ccc(OC2CCCC2)c(CNCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823786713 1443668137 /nfs/dbraw/zinc/66/81/37/1443668137.db2.gz CIVXKHOFBDEYLX-UHFFFAOYSA-N -1 3 379.464 3.357 20 0 GGADHM c1ccc(OC2CCCC2)c(CNCCOc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823786713 1443668140 /nfs/dbraw/zinc/66/81/40/1443668140.db2.gz CIVXKHOFBDEYLX-UHFFFAOYSA-N -1 3 379.464 3.357 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2C)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826305694 1443690356 /nfs/dbraw/zinc/69/03/56/1443690356.db2.gz GEYAJUGECBWYLK-GOSISDBHSA-N -1 3 380.452 3.064 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826305694 1443690357 /nfs/dbraw/zinc/69/03/57/1443690357.db2.gz GEYAJUGECBWYLK-GOSISDBHSA-N -1 3 380.452 3.064 20 0 GGADHM Cc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000822238641 1443716162 /nfs/dbraw/zinc/71/61/62/1443716162.db2.gz PDOHDUNEBHMSML-IAGOWNOFSA-N -1 3 393.491 3.441 20 0 GGADHM Fc1ccccc1CC1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826378461 1443739764 /nfs/dbraw/zinc/73/97/64/1443739764.db2.gz LDMFUIAPJHYIDB-UHFFFAOYSA-N -1 3 391.454 3.108 20 0 GGADHM Fc1ccccc1CC1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826378461 1443739765 /nfs/dbraw/zinc/73/97/65/1443739765.db2.gz LDMFUIAPJHYIDB-UHFFFAOYSA-N -1 3 391.454 3.108 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736233909 1443781942 /nfs/dbraw/zinc/78/19/42/1443781942.db2.gz HDTZGXKELCCMLT-HLLBOEOZSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736233909 1443781946 /nfs/dbraw/zinc/78/19/46/1443781946.db2.gz HDTZGXKELCCMLT-HLLBOEOZSA-N -1 3 376.464 3.072 20 0 GGADHM COc1cc(C)c(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1OC ZINC000826178241 1443784582 /nfs/dbraw/zinc/78/45/82/1443784582.db2.gz PIOKAOAZNDGJGV-UHFFFAOYSA-N -1 3 391.475 3.482 20 0 GGADHM COc1cc(C)c(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1OC ZINC000826178241 1443784586 /nfs/dbraw/zinc/78/45/86/1443784586.db2.gz PIOKAOAZNDGJGV-UHFFFAOYSA-N -1 3 391.475 3.482 20 0 GGADHM CO[C@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000826147099 1443840283 /nfs/dbraw/zinc/84/02/83/1443840283.db2.gz NOQVEHYPQFBBEH-IBGZPJMESA-N -1 3 379.464 3.057 20 0 GGADHM CO[C@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826147099 1443840288 /nfs/dbraw/zinc/84/02/88/1443840288.db2.gz NOQVEHYPQFBBEH-IBGZPJMESA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@@H]2CCCC[C@H]12 ZINC000820727926 1443979221 /nfs/dbraw/zinc/97/92/21/1443979221.db2.gz QTSJTTCZJJCMNA-KBRIMQKVSA-N -1 3 379.468 3.317 20 0 GGADHM O=C(C[C@@H]1CCCN1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822946592 1443983546 /nfs/dbraw/zinc/98/35/46/1443983546.db2.gz YVYXFNGXGYMVML-INIZCTEOSA-N -1 3 397.504 3.435 20 0 GGADHM O=C(C[C@@H]1CCCN1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000822946592 1443983549 /nfs/dbraw/zinc/98/35/49/1443983549.db2.gz YVYXFNGXGYMVML-INIZCTEOSA-N -1 3 397.504 3.435 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822229678 1443994151 /nfs/dbraw/zinc/99/41/51/1443994151.db2.gz ZESPGMMZCBWHIR-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822229678 1443994154 /nfs/dbraw/zinc/99/41/54/1443994154.db2.gz ZESPGMMZCBWHIR-CJNGLKHVSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)c1C ZINC000737387927 1444007023 /nfs/dbraw/zinc/00/70/23/1444007023.db2.gz BUJGETSQEDVOJF-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM Cc1cccc(C2(O)CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)c1C ZINC000737387927 1444007025 /nfs/dbraw/zinc/00/70/25/1444007025.db2.gz BUJGETSQEDVOJF-UHFFFAOYSA-N -1 3 381.455 3.106 20 0 GGADHM CCO[C@@H]1CCCN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000821369206 1446086232 /nfs/dbraw/zinc/08/62/32/1446086232.db2.gz XRVJBBXPLAXBQO-OAQYLSRUSA-N -1 3 393.491 3.447 20 0 GGADHM CCO[C@@H]1CCCN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000821369206 1446086242 /nfs/dbraw/zinc/08/62/42/1446086242.db2.gz XRVJBBXPLAXBQO-OAQYLSRUSA-N -1 3 393.491 3.447 20 0 GGADHM CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736535906 1446101560 /nfs/dbraw/zinc/10/15/60/1446101560.db2.gz YBOOMCUSCVKRCU-HNAYVOBHSA-N -1 3 392.463 3.275 20 0 GGADHM CCCCOc1ccc([C@@H](C)NCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000825290662 1446158391 /nfs/dbraw/zinc/15/83/91/1446158391.db2.gz DHOMLOLXWUIZHQ-CQSZACIVSA-N -1 3 382.468 3.300 20 0 GGADHM CCCCOc1ccc([C@@H](C)NCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000825290662 1446158393 /nfs/dbraw/zinc/15/83/93/1446158393.db2.gz DHOMLOLXWUIZHQ-CQSZACIVSA-N -1 3 382.468 3.300 20 0 GGADHM CC1(C)CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824807243 1446164323 /nfs/dbraw/zinc/16/43/23/1446164323.db2.gz GWPDYIJKELSRPW-UHFFFAOYSA-N -1 3 382.493 3.050 20 0 GGADHM C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432997 1446177178 /nfs/dbraw/zinc/17/71/78/1446177178.db2.gz UUWAIORAYKTXMY-MRXNPFEDSA-N -1 3 377.496 3.493 20 0 GGADHM C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820432997 1446177182 /nfs/dbraw/zinc/17/71/82/1446177182.db2.gz UUWAIORAYKTXMY-MRXNPFEDSA-N -1 3 377.496 3.493 20 0 GGADHM C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820642325 1446208801 /nfs/dbraw/zinc/20/88/01/1446208801.db2.gz IAEIEMSEWJYABM-BBRMVZONSA-N -1 3 396.882 3.337 20 0 GGADHM Cc1cc(C)cc([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264372 1446209947 /nfs/dbraw/zinc/20/99/47/1446209947.db2.gz LZAYQTDWSZYLOR-IRXDYDNUSA-N -1 3 390.491 3.300 20 0 GGADHM Cc1cc(C)cc([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264372 1446209952 /nfs/dbraw/zinc/20/99/52/1446209952.db2.gz LZAYQTDWSZYLOR-IRXDYDNUSA-N -1 3 390.491 3.300 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822199871 1446217181 /nfs/dbraw/zinc/21/71/81/1446217181.db2.gz KWDJWZFWJCKYCR-UHFFFAOYSA-N -1 3 398.511 3.475 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822199871 1446217183 /nfs/dbraw/zinc/21/71/83/1446217183.db2.gz KWDJWZFWJCKYCR-UHFFFAOYSA-N -1 3 398.511 3.475 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000826182197 1446283607 /nfs/dbraw/zinc/28/36/07/1446283607.db2.gz CSCDFOSZRBAAHY-UHFFFAOYSA-N -1 3 385.512 3.435 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000826182197 1446283611 /nfs/dbraw/zinc/28/36/11/1446283611.db2.gz CSCDFOSZRBAAHY-UHFFFAOYSA-N -1 3 385.512 3.435 20 0 GGADHM C[C@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824563385 1446286737 /nfs/dbraw/zinc/28/67/37/1446286737.db2.gz NOELPTKNAMLNGL-NSHDSACASA-N -1 3 390.369 3.175 20 0 GGADHM C[C@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824563385 1446286738 /nfs/dbraw/zinc/28/67/38/1446286738.db2.gz NOELPTKNAMLNGL-NSHDSACASA-N -1 3 390.369 3.175 20 0 GGADHM Brc1cccc2c1OCC[C@H]2NCc1cccc(-c2nn[n-]n2)c1 ZINC000819688161 1446292719 /nfs/dbraw/zinc/29/27/19/1446292719.db2.gz DWYQFOSQZJYPQR-OAHLLOKOSA-N -1 3 386.253 3.243 20 0 GGADHM Cc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000826283642 1446309674 /nfs/dbraw/zinc/30/96/74/1446309674.db2.gz WPVWJIYBRROHGV-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000826283642 1446309680 /nfs/dbraw/zinc/30/96/80/1446309680.db2.gz WPVWJIYBRROHGV-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Fc1ccc(-c2ccc(CNCCOc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822753608 1446327552 /nfs/dbraw/zinc/32/75/52/1446327552.db2.gz PEZOOLSYLWRVTK-UHFFFAOYSA-N -1 3 379.395 3.434 20 0 GGADHM Fc1ccc(-c2ccc(CNCCOc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822753608 1446327556 /nfs/dbraw/zinc/32/75/56/1446327556.db2.gz PEZOOLSYLWRVTK-UHFFFAOYSA-N -1 3 379.395 3.434 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000822205767 1446377723 /nfs/dbraw/zinc/37/77/23/1446377723.db2.gz HTJIZPCKKSIBKX-KSSFIOAISA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000822205767 1446377725 /nfs/dbraw/zinc/37/77/25/1446377725.db2.gz HTJIZPCKKSIBKX-KSSFIOAISA-N -1 3 394.454 3.160 20 0 GGADHM C[C@H](NCc1cnc2cnccn12)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824627344 1446395232 /nfs/dbraw/zinc/39/52/32/1446395232.db2.gz XHEQWNJUJURZLO-HNNXBMFYSA-N -1 3 396.458 3.427 20 0 GGADHM C[C@H](NCc1cnc2cnccn12)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824627344 1446395235 /nfs/dbraw/zinc/39/52/35/1446395235.db2.gz XHEQWNJUJURZLO-HNNXBMFYSA-N -1 3 396.458 3.427 20 0 GGADHM COc1ccccc1COC1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826220108 1446422980 /nfs/dbraw/zinc/42/29/80/1446422980.db2.gz CCQZQGPXJXLUBR-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM COc1ccccc1COC1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826220108 1446422984 /nfs/dbraw/zinc/42/29/84/1446422984.db2.gz CCQZQGPXJXLUBR-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM CC(C)(C)C[C@@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824087303 1446428790 /nfs/dbraw/zinc/42/87/90/1446428790.db2.gz SNTQJTKFAVLSML-LJQANCHMSA-N -1 3 392.507 3.250 20 0 GGADHM CC(C)(C)C[C@@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824087303 1446428795 /nfs/dbraw/zinc/42/87/95/1446428795.db2.gz SNTQJTKFAVLSML-LJQANCHMSA-N -1 3 392.507 3.250 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000824528450 1446436398 /nfs/dbraw/zinc/43/63/98/1446436398.db2.gz AASDAMJAVFTZGL-GRDNDAEWSA-N -1 3 396.520 3.331 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000824528450 1446436402 /nfs/dbraw/zinc/43/64/02/1446436402.db2.gz AASDAMJAVFTZGL-GRDNDAEWSA-N -1 3 396.520 3.331 20 0 GGADHM Cc1cc(C)cc(C2=CCN(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264420 1446444236 /nfs/dbraw/zinc/44/42/36/1446444236.db2.gz NXQQQQIOESIGRL-NRFANRHFSA-N -1 3 375.476 3.306 20 0 GGADHM COc1ccc(CNCc2ccccc2N2CCCCC2)cc1-c1nnn[n-]1 ZINC000826202925 1446532156 /nfs/dbraw/zinc/53/21/56/1446532156.db2.gz SPJUTMJRPQCEAE-UHFFFAOYSA-N -1 3 378.480 3.155 20 0 GGADHM COc1ccc(CNCc2ccccc2N2CCCCC2)cc1-c1nn[n-]n1 ZINC000826202925 1446532160 /nfs/dbraw/zinc/53/21/60/1446532160.db2.gz SPJUTMJRPQCEAE-UHFFFAOYSA-N -1 3 378.480 3.155 20 0 GGADHM O[C@@H](CN1CCCC[C@@H]1c1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683061 1446548510 /nfs/dbraw/zinc/54/85/10/1446548510.db2.gz XTBWGFQIEZJKMZ-MSOLQXFVSA-N -1 3 390.447 3.269 20 0 GGADHM C[C@H](c1cccc(F)c1)N1CCN([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824763821 1446553891 /nfs/dbraw/zinc/55/38/91/1446553891.db2.gz PJAOIVAQKMAZTE-JKSUJKDBSA-N -1 3 380.471 3.446 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC(COc2ccccc2)CC1 ZINC000826182443 1446594582 /nfs/dbraw/zinc/59/45/82/1446594582.db2.gz JTVJSSCLPWZHNR-UHFFFAOYSA-N -1 3 379.464 3.166 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCC(COc2ccccc2)CC1 ZINC000826182443 1446594585 /nfs/dbraw/zinc/59/45/85/1446594585.db2.gz JTVJSSCLPWZHNR-UHFFFAOYSA-N -1 3 379.464 3.166 20 0 GGADHM O[C@@H](CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)cc1 ZINC000826510928 1446601715 /nfs/dbraw/zinc/60/17/15/1446601715.db2.gz SCADTRIMHLYZJL-IBGZPJMESA-N -1 3 399.882 3.097 20 0 GGADHM O[C@@H](CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000826510928 1446601718 /nfs/dbraw/zinc/60/17/18/1446601718.db2.gz SCADTRIMHLYZJL-IBGZPJMESA-N -1 3 399.882 3.097 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCCN(C2CCCC2)CC1 ZINC000823826773 1446692731 /nfs/dbraw/zinc/69/27/31/1446692731.db2.gz OMXYFIXKULETQN-UHFFFAOYSA-N -1 3 391.317 3.084 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1N1CCCN(C2CCCC2)CC1 ZINC000823826773 1446692732 /nfs/dbraw/zinc/69/27/32/1446692732.db2.gz OMXYFIXKULETQN-UHFFFAOYSA-N -1 3 391.317 3.084 20 0 GGADHM CC(C)Oc1ccc([C@H](O)CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824324802 1446751515 /nfs/dbraw/zinc/75/15/15/1446751515.db2.gz VZWGZPHYHPFRFB-BFUOFWGJSA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1ccc([C@H](O)CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824324802 1446751519 /nfs/dbraw/zinc/75/15/19/1446751519.db2.gz VZWGZPHYHPFRFB-BFUOFWGJSA-N -1 3 385.443 3.177 20 0 GGADHM C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)[C@@H]2CCCC[C@H]12 ZINC000820728613 1446785569 /nfs/dbraw/zinc/78/55/69/1446785569.db2.gz XJSNJXFSFMAVEW-KBRIMQKVSA-N -1 3 379.468 3.317 20 0 GGADHM COc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826202476 1446815952 /nfs/dbraw/zinc/81/59/52/1446815952.db2.gz AZWLBKVYTUDRRQ-UHFFFAOYSA-N -1 3 379.342 3.064 20 0 GGADHM COc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826202476 1446815955 /nfs/dbraw/zinc/81/59/55/1446815955.db2.gz AZWLBKVYTUDRRQ-UHFFFAOYSA-N -1 3 379.342 3.064 20 0 GGADHM C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736238452 1446876220 /nfs/dbraw/zinc/87/62/20/1446876220.db2.gz ZEBTWTOCIGXABO-HIFRSBDPSA-N -1 3 396.882 3.337 20 0 GGADHM Cc1cccc(C(C)(C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826296332 1446925246 /nfs/dbraw/zinc/92/52/46/1446925246.db2.gz RZDIXJVESSYJHD-UHFFFAOYSA-N -1 3 384.871 3.292 20 0 GGADHM Cc1cccc(C(C)(C)NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826296332 1446925265 /nfs/dbraw/zinc/92/52/65/1446925265.db2.gz RZDIXJVESSYJHD-UHFFFAOYSA-N -1 3 384.871 3.292 20 0 GGADHM CC(C)CN(CC[S@](=O)c1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735827467 1446971111 /nfs/dbraw/zinc/97/11/11/1446971111.db2.gz NZAYJRDUWLSLPQ-MHZLTWQESA-N -1 3 383.521 3.133 20 0 GGADHM CC(C)CN(CC[S@](=O)c1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735827467 1446971113 /nfs/dbraw/zinc/97/11/13/1446971113.db2.gz NZAYJRDUWLSLPQ-MHZLTWQESA-N -1 3 383.521 3.133 20 0 GGADHM CCc1ccc([C@H]2CCCN2Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)o1 ZINC000825703940 1446996209 /nfs/dbraw/zinc/99/62/09/1446996209.db2.gz AHABGPGKOSJMDO-MRXNPFEDSA-N -1 3 381.436 3.146 20 0 GGADHM CCc1ccc([C@H]2CCCN2Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)o1 ZINC000825703940 1446996211 /nfs/dbraw/zinc/99/62/11/1446996211.db2.gz AHABGPGKOSJMDO-MRXNPFEDSA-N -1 3 381.436 3.146 20 0 GGADHM COc1ccc(CNCc2cc(F)cc(Br)c2)cc1-c1nn[n-]n1 ZINC000821818648 1446996420 /nfs/dbraw/zinc/99/64/20/1446996420.db2.gz WJDRWWJXJSOZHW-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM COc1ccc(CNCc2cc(F)cc(Br)c2)cc1-c1nnn[n-]1 ZINC000821818648 1446996424 /nfs/dbraw/zinc/99/64/24/1446996424.db2.gz WJDRWWJXJSOZHW-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM CC[C@H](NCCOc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(F)cc1F ZINC000825141777 1447069392 /nfs/dbraw/zinc/06/93/92/1447069392.db2.gz PDMQPJADSGLIIA-INIZCTEOSA-N -1 3 389.406 3.273 20 0 GGADHM CC[C@H](NCCOc1ccc(-c2nnn[n-]2)cc1OC)c1ccc(F)cc1F ZINC000825141777 1447069398 /nfs/dbraw/zinc/06/93/98/1447069398.db2.gz PDMQPJADSGLIIA-INIZCTEOSA-N -1 3 389.406 3.273 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H](C)c1ccccc1 ZINC000824632535 1447161990 /nfs/dbraw/zinc/16/19/90/1447161990.db2.gz BBNKGIFBBPRMRQ-UONOGXRCSA-N -1 3 375.436 3.199 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H](C)c1ccccc1 ZINC000824632535 1447161994 /nfs/dbraw/zinc/16/19/94/1447161994.db2.gz BBNKGIFBBPRMRQ-UONOGXRCSA-N -1 3 375.436 3.199 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(Cc3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC000826368927 1447162210 /nfs/dbraw/zinc/16/22/10/1447162210.db2.gz GHDYPKZEFHEYBS-NSHDSACASA-N -1 3 395.414 3.117 20 0 GGADHM FC(F)(F)c1csc([C@H]2CCCN(Cc3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC000826368927 1447162212 /nfs/dbraw/zinc/16/22/12/1447162212.db2.gz GHDYPKZEFHEYBS-NSHDSACASA-N -1 3 395.414 3.117 20 0 GGADHM COc1ccc(CN2CC=C(c3cnc4[nH]cccc3-4)CC2)cc1-c1nn[n-]n1 ZINC000826193493 1447305756 /nfs/dbraw/zinc/30/57/56/1447305756.db2.gz FHXXNOLUWQJEHL-UHFFFAOYSA-N -1 3 387.447 3.041 20 0 GGADHM COc1ccc(CN2CC=C(c3cnc4[nH]cccc3-4)CC2)cc1-c1nnn[n-]1 ZINC000826193493 1447305759 /nfs/dbraw/zinc/30/57/59/1447305759.db2.gz FHXXNOLUWQJEHL-UHFFFAOYSA-N -1 3 387.447 3.041 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826169995 1447336321 /nfs/dbraw/zinc/33/63/21/1447336321.db2.gz LNWSKQXMMCUGSQ-BEFAXECRSA-N -1 3 379.464 3.133 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826169995 1447336328 /nfs/dbraw/zinc/33/63/28/1447336328.db2.gz LNWSKQXMMCUGSQ-BEFAXECRSA-N -1 3 379.464 3.133 20 0 GGADHM Fc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000822767140 1447343786 /nfs/dbraw/zinc/34/37/86/1447343786.db2.gz XYKFSQGBJPQXNN-UHFFFAOYSA-N -1 3 381.455 3.230 20 0 GGADHM Fc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000822767140 1447343789 /nfs/dbraw/zinc/34/37/89/1447343789.db2.gz XYKFSQGBJPQXNN-UHFFFAOYSA-N -1 3 381.455 3.230 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000826283297 1449020793 /nfs/dbraw/zinc/02/07/93/1449020793.db2.gz OCHKMIPZMLHHGI-KBPBESRZSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000826283297 1449020796 /nfs/dbraw/zinc/02/07/96/1449020796.db2.gz OCHKMIPZMLHHGI-KBPBESRZSA-N -1 3 382.468 3.371 20 0 GGADHM COc1ccc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826194221 1449057345 /nfs/dbraw/zinc/05/73/45/1449057345.db2.gz FTVYOZVSTLDGSD-KRWDZBQOSA-N -1 3 395.438 3.252 20 0 GGADHM COc1ccc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194221 1449057351 /nfs/dbraw/zinc/05/73/51/1449057351.db2.gz FTVYOZVSTLDGSD-KRWDZBQOSA-N -1 3 395.438 3.252 20 0 GGADHM C[C@@H](NCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000824599763 1449079315 /nfs/dbraw/zinc/07/93/15/1449079315.db2.gz RVVGFZFWKRCPEB-GFCCVEGCSA-N -1 3 375.379 3.198 20 0 GGADHM C[C@@H](NCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000824599763 1449079322 /nfs/dbraw/zinc/07/93/22/1449079322.db2.gz RVVGFZFWKRCPEB-GFCCVEGCSA-N -1 3 375.379 3.198 20 0 GGADHM C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824617327 1449088545 /nfs/dbraw/zinc/08/85/45/1449088545.db2.gz GQTFPQAXJQSVTA-OAHLLOKOSA-N -1 3 398.470 3.483 20 0 GGADHM C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824617327 1449088551 /nfs/dbraw/zinc/08/85/51/1449088551.db2.gz GQTFPQAXJQSVTA-OAHLLOKOSA-N -1 3 398.470 3.483 20 0 GGADHM CCOc1ccc(C2=CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825638113 1449133723 /nfs/dbraw/zinc/13/37/23/1449133723.db2.gz FWQURYGPLKTKFC-NRFANRHFSA-N -1 3 391.475 3.088 20 0 GGADHM CCOc1ccc(C2=CCN(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825638113 1449133727 /nfs/dbraw/zinc/13/37/27/1449133727.db2.gz FWQURYGPLKTKFC-NRFANRHFSA-N -1 3 391.475 3.088 20 0 GGADHM C[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569652 1449143768 /nfs/dbraw/zinc/14/37/68/1449143768.db2.gz JKGNCOWTIFUCAH-MGPLVRAMSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824569652 1449143775 /nfs/dbraw/zinc/14/37/75/1449143775.db2.gz JKGNCOWTIFUCAH-MGPLVRAMSA-N -1 3 395.360 3.409 20 0 GGADHM CCN1CCN(c2ccccc2N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825465977 1449192037 /nfs/dbraw/zinc/19/20/37/1449192037.db2.gz VBYXKEJLLHRRFP-INIZCTEOSA-N -1 3 377.496 3.182 20 0 GGADHM CCN1CCN(c2ccccc2N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825465977 1449192039 /nfs/dbraw/zinc/19/20/39/1449192039.db2.gz VBYXKEJLLHRRFP-INIZCTEOSA-N -1 3 377.496 3.182 20 0 GGADHM CCc1ccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825704935 1449225344 /nfs/dbraw/zinc/22/53/44/1449225344.db2.gz QUOSEJADBAWAHR-GFCCVEGCSA-N -1 3 384.509 3.397 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000826401973 1449488878 /nfs/dbraw/zinc/48/88/78/1449488878.db2.gz KEHRMULHIDMWFU-SYGIOELKSA-N -1 3 389.459 3.088 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000826401973 1449488882 /nfs/dbraw/zinc/48/88/82/1449488882.db2.gz KEHRMULHIDMWFU-SYGIOELKSA-N -1 3 389.459 3.088 20 0 GGADHM O=C(C[C@H]1CCCN1CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000826404628 1449557285 /nfs/dbraw/zinc/55/72/85/1449557285.db2.gz HIRXWHCHBDCEFY-GOSISDBHSA-N -1 3 395.438 3.122 20 0 GGADHM O=C(C[C@H]1CCCN1CCOc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000826404628 1449557286 /nfs/dbraw/zinc/55/72/86/1449557286.db2.gz HIRXWHCHBDCEFY-GOSISDBHSA-N -1 3 395.438 3.122 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN[C@H](C)c1ccc(F)cc1Cl ZINC000826176647 1449593442 /nfs/dbraw/zinc/59/34/42/1449593442.db2.gz XVXVQTXMARIQET-LLVKDONJSA-N -1 3 391.834 3.397 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN[C@H](C)c1ccc(F)cc1Cl ZINC000826176647 1449593449 /nfs/dbraw/zinc/59/34/49/1449593449.db2.gz XVXVQTXMARIQET-LLVKDONJSA-N -1 3 391.834 3.397 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820412981 1449607661 /nfs/dbraw/zinc/60/76/61/1449607661.db2.gz NTLVIUSLRKPXKP-DYVFJYSZSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820412981 1449607670 /nfs/dbraw/zinc/60/76/70/1449607670.db2.gz NTLVIUSLRKPXKP-DYVFJYSZSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949530 1449615559 /nfs/dbraw/zinc/61/55/59/1449615559.db2.gz YALWXQTVNFXFEE-JSGCOSHPSA-N -1 3 392.529 3.053 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949530 1449615564 /nfs/dbraw/zinc/61/55/64/1449615564.db2.gz YALWXQTVNFXFEE-JSGCOSHPSA-N -1 3 392.529 3.053 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825043669 1449630514 /nfs/dbraw/zinc/63/05/14/1449630514.db2.gz IWGNIRJTXXKHFD-SFHVURJKSA-N -1 3 390.850 3.392 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826505787 1449704959 /nfs/dbraw/zinc/70/49/59/1449704959.db2.gz FNOKNAVHGXVMSC-DOTOQJQBSA-N -1 3 389.381 3.193 20 0 GGADHM CN(C)[C@H](CNc1ccc(Br)cc1-c1nn[n-]n1)c1cccs1 ZINC000736758836 1449722678 /nfs/dbraw/zinc/72/26/78/1449722678.db2.gz IWHPOGFQLKISQN-CYBMUJFWSA-N -1 3 393.314 3.406 20 0 GGADHM CN(C)[C@H](CNc1ccc(Br)cc1-c1nnn[n-]1)c1cccs1 ZINC000736758836 1449722683 /nfs/dbraw/zinc/72/26/83/1449722683.db2.gz IWHPOGFQLKISQN-CYBMUJFWSA-N -1 3 393.314 3.406 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736771751 1449734016 /nfs/dbraw/zinc/73/40/16/1449734016.db2.gz QCZJFURTXZODHK-UHFFFAOYSA-N -1 3 380.383 3.066 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736771751 1449734021 /nfs/dbraw/zinc/73/40/21/1449734021.db2.gz QCZJFURTXZODHK-UHFFFAOYSA-N -1 3 380.383 3.066 20 0 GGADHM CCCC[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438575 1449781484 /nfs/dbraw/zinc/78/14/84/1449781484.db2.gz NZJNCBORFAMTAK-CZUORRHYSA-N -1 3 383.456 3.011 20 0 GGADHM CCCC[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438575 1449781487 /nfs/dbraw/zinc/78/14/87/1449781487.db2.gz NZJNCBORFAMTAK-CZUORRHYSA-N -1 3 383.456 3.011 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000826212165 1449807070 /nfs/dbraw/zinc/80/70/70/1449807070.db2.gz IJWKKCCIUHPXEU-LJQANCHMSA-N -1 3 379.464 3.393 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000826212165 1449807077 /nfs/dbraw/zinc/80/70/77/1449807077.db2.gz IJWKKCCIUHPXEU-LJQANCHMSA-N -1 3 379.464 3.393 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000821795145 1449816912 /nfs/dbraw/zinc/81/69/12/1449816912.db2.gz VDFBMVIAIXUNGG-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM COc1ccc(CN(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000821795145 1449816918 /nfs/dbraw/zinc/81/69/18/1449816918.db2.gz VDFBMVIAIXUNGG-UHFFFAOYSA-N -1 3 393.369 3.248 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820225286 1449883244 /nfs/dbraw/zinc/88/32/44/1449883244.db2.gz FRGWBPDJYYQANI-LLVKDONJSA-N -1 3 388.834 3.166 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820225286 1449883248 /nfs/dbraw/zinc/88/32/48/1449883248.db2.gz FRGWBPDJYYQANI-LLVKDONJSA-N -1 3 388.834 3.166 20 0 GGADHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)Cc1ccc(Cl)s1 ZINC000736536746 1449948263 /nfs/dbraw/zinc/94/82/63/1449948263.db2.gz NNAGSYWMXMTYIQ-UHFFFAOYSA-N -1 3 393.900 3.491 20 0 GGADHM O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737892006 1449948938 /nfs/dbraw/zinc/94/89/38/1449948938.db2.gz QKJGEQXLTVQQRZ-INIZCTEOSA-N -1 3 386.456 3.137 20 0 GGADHM O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737892006 1449948941 /nfs/dbraw/zinc/94/89/41/1449948941.db2.gz QKJGEQXLTVQQRZ-INIZCTEOSA-N -1 3 386.456 3.137 20 0 GGADHM COc1cc(CN2CC[C@H]3C[C@H]32)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826179151 1449996433 /nfs/dbraw/zinc/99/64/33/1449996433.db2.gz BDDLZLWQHPLLCP-FUHWJXTLSA-N -1 3 377.448 3.049 20 0 GGADHM COc1cc(CN2CC[C@H]3C[C@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826179151 1449996435 /nfs/dbraw/zinc/99/64/35/1449996435.db2.gz BDDLZLWQHPLLCP-FUHWJXTLSA-N -1 3 377.448 3.049 20 0 GGADHM Cc1cccc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826296318 1450062267 /nfs/dbraw/zinc/06/22/67/1450062267.db2.gz RMCVWGQIYBEORG-OXQOHEQNSA-N -1 3 390.491 3.330 20 0 GGADHM Cc1cccc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826296318 1450062272 /nfs/dbraw/zinc/06/22/72/1450062272.db2.gz RMCVWGQIYBEORG-OXQOHEQNSA-N -1 3 390.491 3.330 20 0 GGADHM C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824537233 1450086577 /nfs/dbraw/zinc/08/65/77/1450086577.db2.gz CLKGISVWHXGHAJ-AFAVFJNCSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824537233 1450086581 /nfs/dbraw/zinc/08/65/81/1450086581.db2.gz CLKGISVWHXGHAJ-AFAVFJNCSA-N -1 3 391.397 3.052 20 0 GGADHM C[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820431112 1450104618 /nfs/dbraw/zinc/10/46/18/1450104618.db2.gz APUUPKXZJMQNLX-HNNXBMFYSA-N -1 3 399.458 3.365 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSc2ccccc21 ZINC000820411238 1450107653 /nfs/dbraw/zinc/10/76/53/1450107653.db2.gz HLARZKFSKNFGBU-ZIAGYGMSSA-N -1 3 394.504 3.045 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSc2ccccc21 ZINC000820411238 1450107656 /nfs/dbraw/zinc/10/76/56/1450107656.db2.gz HLARZKFSKNFGBU-ZIAGYGMSSA-N -1 3 394.504 3.045 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](CC2CC2)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341709 1450109100 /nfs/dbraw/zinc/10/91/00/1450109100.db2.gz OEFNXWXMDDCMHZ-MRXNPFEDSA-N -1 3 380.452 3.146 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](CC2CC2)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826341709 1450109105 /nfs/dbraw/zinc/10/91/05/1450109105.db2.gz OEFNXWXMDDCMHZ-MRXNPFEDSA-N -1 3 380.452 3.146 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000826373589 1450123279 /nfs/dbraw/zinc/12/32/79/1450123279.db2.gz RSTDSGTVXCGNTR-FQEVSTJZSA-N -1 3 380.471 3.323 20 0 GGADHM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738192639 1450219363 /nfs/dbraw/zinc/21/93/63/1450219363.db2.gz UFNQLOKCJSTUDQ-OAQYLSRUSA-N -1 3 398.470 3.206 20 0 GGADHM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738192639 1450219367 /nfs/dbraw/zinc/21/93/67/1450219367.db2.gz UFNQLOKCJSTUDQ-OAQYLSRUSA-N -1 3 398.470 3.206 20 0 GGADHM Cc1cc2oc(=O)cc(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2cc1C ZINC000822212902 1450234501 /nfs/dbraw/zinc/23/45/01/1450234501.db2.gz MBKXWFQAALOKSD-CQSZACIVSA-N -1 3 375.432 3.441 20 0 GGADHM Cc1cc2oc(=O)cc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2cc1C ZINC000822212902 1450234506 /nfs/dbraw/zinc/23/45/06/1450234506.db2.gz MBKXWFQAALOKSD-CQSZACIVSA-N -1 3 375.432 3.441 20 0 GGADHM c1ccc(OCCOCCN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000823867755 1450247244 /nfs/dbraw/zinc/24/72/44/1450247244.db2.gz GTFHVKDZKJXAGT-UHFFFAOYSA-N -1 3 391.475 3.051 20 0 GGADHM c1ccc(OCCOCCN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823867755 1450247246 /nfs/dbraw/zinc/24/72/46/1450247246.db2.gz GTFHVKDZKJXAGT-UHFFFAOYSA-N -1 3 391.475 3.051 20 0 GGADHM C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820727020 1450258153 /nfs/dbraw/zinc/25/81/53/1450258153.db2.gz FOUHMGFTZNEAIV-MRXNPFEDSA-N -1 3 377.496 3.349 20 0 GGADHM C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820727020 1450258154 /nfs/dbraw/zinc/25/81/54/1450258154.db2.gz FOUHMGFTZNEAIV-MRXNPFEDSA-N -1 3 377.496 3.349 20 0 GGADHM Cc1cncc(CNCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826319555 1450341973 /nfs/dbraw/zinc/34/19/73/1450341973.db2.gz IEFAWQPYHDCRCP-UHFFFAOYSA-N -1 3 386.459 3.439 20 0 GGADHM C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824963216 1450382251 /nfs/dbraw/zinc/38/22/51/1450382251.db2.gz ZPIHXDGQXOWUSM-OAHLLOKOSA-N -1 3 395.486 3.488 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825141385 1450383508 /nfs/dbraw/zinc/38/35/08/1450383508.db2.gz OAGNEBBEQPSWIY-MLGOLLRUSA-N -1 3 398.467 3.153 20 0 GGADHM CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825141385 1450383510 /nfs/dbraw/zinc/38/35/10/1450383510.db2.gz OAGNEBBEQPSWIY-MLGOLLRUSA-N -1 3 398.467 3.153 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000735560271 1450433567 /nfs/dbraw/zinc/43/35/67/1450433567.db2.gz DFCBLZOLXSEFNU-UKRRQHHQSA-N -1 3 396.882 3.337 20 0 GGADHM CN(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccsc1 ZINC000736761018 1450456388 /nfs/dbraw/zinc/45/63/88/1450456388.db2.gz SQPTTWFTRGVYOE-NSHDSACASA-N -1 3 383.403 3.057 20 0 GGADHM C[C@@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000824564140 1450468440 /nfs/dbraw/zinc/46/84/40/1450468440.db2.gz SKFNXPYQCHBBDP-OAHLLOKOSA-N -1 3 399.458 3.218 20 0 GGADHM CC[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000825139194 1450471159 /nfs/dbraw/zinc/47/11/59/1450471159.db2.gz CVTCRUTTYJWQDM-RTBURBONSA-N -1 3 394.454 3.242 20 0 GGADHM CC[C@@H](N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(F)cc1 ZINC000825139194 1450471162 /nfs/dbraw/zinc/47/11/62/1450471162.db2.gz CVTCRUTTYJWQDM-RTBURBONSA-N -1 3 394.454 3.242 20 0 GGADHM CC[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000825038703 1450513776 /nfs/dbraw/zinc/51/37/76/1450513776.db2.gz GKLVNGGOCRDPCC-LIRRHRJNSA-N -1 3 378.480 3.051 20 0 GGADHM CC[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000825038703 1450513780 /nfs/dbraw/zinc/51/37/80/1450513780.db2.gz GKLVNGGOCRDPCC-LIRRHRJNSA-N -1 3 378.480 3.051 20 0 GGADHM CN(C[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908493 1450524256 /nfs/dbraw/zinc/52/42/56/1450524256.db2.gz IORIGPPOEVAXSR-CYBMUJFWSA-N -1 3 392.529 3.007 20 0 GGADHM CN(C[C@H]1CCCN(Cc2cc(-c3nnn[n-]3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908493 1450524258 /nfs/dbraw/zinc/52/42/58/1450524258.db2.gz IORIGPPOEVAXSR-CYBMUJFWSA-N -1 3 392.529 3.007 20 0 GGADHM CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]21 ZINC001164887059 721464357 /nfs/dbraw/zinc/46/43/57/721464357.db2.gz BOKXQOJPJHBNDW-WDEREUQCSA-N -1 3 390.887 3.047 20 0 GGADHM CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001165008751 721725852 /nfs/dbraw/zinc/72/58/52/721725852.db2.gz PLVNZZLGPPUCDC-HNNXBMFYSA-N -1 3 390.887 3.191 20 0 GGADHM Cc1nnc([C@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)o1 ZINC000737520390 945089277 /nfs/dbraw/zinc/08/92/77/945089277.db2.gz HKNKKGLLGIFJHJ-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM Cc1nnc([C@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)o1 ZINC000737520390 945089286 /nfs/dbraw/zinc/08/92/86/945089286.db2.gz HKNKKGLLGIFJHJ-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM Cc1noc([C@@H](C)OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737537858 945091914 /nfs/dbraw/zinc/09/19/14/945091914.db2.gz MGPJDWUFNDXBFC-LLVKDONJSA-N -1 3 392.375 3.268 20 0 GGADHM Cc1noc([C@@H](C)OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737537858 945091918 /nfs/dbraw/zinc/09/19/18/945091918.db2.gz MGPJDWUFNDXBFC-LLVKDONJSA-N -1 3 392.375 3.268 20 0 GGADHM Cc1sc(NC(=O)c2cnc(-c3ccncc3)s2)c(-c2nnn[n-]2)c1C ZINC000737560781 945095700 /nfs/dbraw/zinc/09/57/00/945095700.db2.gz CCFCECNWQYFIHF-UHFFFAOYSA-N -1 3 383.462 3.316 20 0 GGADHM Cc1sc(NC(=O)c2cnc(-c3ccncc3)s2)c(-c2nn[n-]n2)c1C ZINC000737560781 945095708 /nfs/dbraw/zinc/09/57/08/945095708.db2.gz CCFCECNWQYFIHF-UHFFFAOYSA-N -1 3 383.462 3.316 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c(-c2nnn[n-]2)c1C ZINC000737559895 945096906 /nfs/dbraw/zinc/09/69/06/945096906.db2.gz CJQCMBDKGDNXOT-ORAYPTAESA-N -1 3 381.461 3.224 20 0 GGADHM Cc1sc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c(-c2nn[n-]n2)c1C ZINC000737559895 945096916 /nfs/dbraw/zinc/09/69/16/945096916.db2.gz CJQCMBDKGDNXOT-ORAYPTAESA-N -1 3 381.461 3.224 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc(Br)cs1 ZINC000737803105 945126994 /nfs/dbraw/zinc/12/69/94/945126994.db2.gz RMSZMFZFMCPEGL-WAYWQWQTSA-N -1 3 391.250 3.447 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cc(Br)cs1 ZINC000737803105 945126999 /nfs/dbraw/zinc/12/69/99/945126999.db2.gz RMSZMFZFMCPEGL-WAYWQWQTSA-N -1 3 391.250 3.447 20 0 GGADHM O=C(CCCc1ccccn1)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737835031 945134424 /nfs/dbraw/zinc/13/44/24/945134424.db2.gz DWLLMLSJANSFTJ-UHFFFAOYSA-N -1 3 391.460 3.347 20 0 GGADHM O=C(CCCc1ccccn1)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737835031 945134427 /nfs/dbraw/zinc/13/44/27/945134427.db2.gz DWLLMLSJANSFTJ-UHFFFAOYSA-N -1 3 391.460 3.347 20 0 GGADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000737946600 945164473 /nfs/dbraw/zinc/16/44/73/945164473.db2.gz JJQZRPJBYLPRAD-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000737946600 945164482 /nfs/dbraw/zinc/16/44/82/945164482.db2.gz JJQZRPJBYLPRAD-UHFFFAOYSA-N -1 3 395.366 3.496 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCCC[C@H]1c1ccncc1 ZINC000738100492 945188400 /nfs/dbraw/zinc/18/84/00/945188400.db2.gz NNUJSEUWDOAWCE-SFHVURJKSA-N -1 3 395.442 3.228 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCCC[C@H]1c1ccncc1 ZINC000738100492 945188406 /nfs/dbraw/zinc/18/84/06/945188406.db2.gz NNUJSEUWDOAWCE-SFHVURJKSA-N -1 3 395.442 3.228 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738100502 945188801 /nfs/dbraw/zinc/18/88/01/945188801.db2.gz NWHBZKJYGHRYLO-GOSISDBHSA-N -1 3 394.454 3.313 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738100502 945188824 /nfs/dbraw/zinc/18/88/24/945188824.db2.gz NWHBZKJYGHRYLO-GOSISDBHSA-N -1 3 394.454 3.313 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)c2cccs2)CC1 ZINC000780346279 939108047 /nfs/dbraw/zinc/10/80/47/939108047.db2.gz ULMFJKOOSGWVSM-HNAYVOBHSA-N -1 3 379.526 3.074 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N(C)C)cc1 ZINC000780358297 939109269 /nfs/dbraw/zinc/10/92/69/939109269.db2.gz GLPJXYBVDXKMLQ-RBUKOAKNSA-N -1 3 375.513 3.184 20 0 GGADHM O=C([O-])[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000780359942 939109988 /nfs/dbraw/zinc/10/99/88/939109988.db2.gz NTYRKVIHXDJWBN-DOTOQJQBSA-N -1 3 379.526 3.218 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cccc(OC)c1 ZINC000780374415 939112189 /nfs/dbraw/zinc/11/21/89/939112189.db2.gz OHHNEWXOZMWIAP-PMACEKPBSA-N -1 3 399.491 3.203 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccsc1 ZINC000780404392 939117414 /nfs/dbraw/zinc/11/74/14/939117414.db2.gz XMTFTRPJPKQJDE-IRXDYDNUSA-N -1 3 381.542 3.464 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000780494901 939128574 /nfs/dbraw/zinc/12/85/74/939128574.db2.gz MOEYTSHUFJWAQD-UXHICEINSA-N -1 3 381.476 3.257 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780494197 939128817 /nfs/dbraw/zinc/12/88/17/939128817.db2.gz HLMVKZALYJYYOV-WOJBJXKFSA-N -1 3 387.524 3.465 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000780494900 939128910 /nfs/dbraw/zinc/12/89/10/939128910.db2.gz MOEYTSHUFJWAQD-PMACEKPBSA-N -1 3 381.476 3.257 20 0 GGADHM CCC1CCC(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)(C(=O)[O-])CC1 ZINC000390428443 939134824 /nfs/dbraw/zinc/13/48/24/939134824.db2.gz NQGRLLWYNHFUCO-ZGGTZUKQSA-N -1 3 375.513 3.230 20 0 GGADHM COc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC000900330596 939275114 /nfs/dbraw/zinc/27/51/14/939275114.db2.gz RPIZYUHWPWQZDQ-QFIPXVFZSA-N -1 3 397.475 3.245 20 0 GGADHM COc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC000900330595 939275214 /nfs/dbraw/zinc/27/52/14/939275214.db2.gz RPIZYUHWPWQZDQ-JOCHJYFZSA-N -1 3 397.475 3.245 20 0 GGADHM CCOc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000908619866 939302295 /nfs/dbraw/zinc/30/22/95/939302295.db2.gz OXFGNXKLNMKULL-JOCHJYFZSA-N -1 3 397.475 3.326 20 0 GGADHM Cc1cc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1F ZINC000908622709 939302307 /nfs/dbraw/zinc/30/23/07/939302307.db2.gz XULSATYRDWZJFG-OAQYLSRUSA-N -1 3 385.439 3.375 20 0 GGADHM Cc1cc(F)cc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908620795 939302384 /nfs/dbraw/zinc/30/23/84/939302384.db2.gz OJPDGCRNVIJMHZ-NRFANRHFSA-N -1 3 385.439 3.375 20 0 GGADHM CCOc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908617068 939302461 /nfs/dbraw/zinc/30/24/61/939302461.db2.gz GHNQAIJYNGHWGI-JOCHJYFZSA-N -1 3 397.475 3.326 20 0 GGADHM CCc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000908621070 939302484 /nfs/dbraw/zinc/30/24/84/939302484.db2.gz PXRSYISYTXNUJS-QFIPXVFZSA-N -1 3 381.476 3.490 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Nc2ccc3[nH]ccc3c2)CCCN(Cc2ccccc2)C1 ZINC000908618241 939302510 /nfs/dbraw/zinc/30/25/10/939302510.db2.gz FSQQYRLAWDOJFP-JOCHJYFZSA-N -1 3 392.459 3.409 20 0 GGADHM CCc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908619452 939302676 /nfs/dbraw/zinc/30/26/76/939302676.db2.gz KOBSDLAUVAMDEW-JOCHJYFZSA-N -1 3 381.476 3.490 20 0 GGADHM O=C([O-])[C@]1(NC(=O)Nc2ccc(F)c(F)c2)CCCN(Cc2ccccc2)C1 ZINC000908622303 939302836 /nfs/dbraw/zinc/30/28/36/939302836.db2.gz ZAUBKWUHTPCXBW-FQEVSTJZSA-N -1 3 389.402 3.206 20 0 GGADHM Cc1nc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)sc1C ZINC000908638545 939303730 /nfs/dbraw/zinc/30/37/30/939303730.db2.gz OSFXIJIMAAPHJS-IBGZPJMESA-N -1 3 388.493 3.001 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCc2ccccc21 ZINC000908750161 939310664 /nfs/dbraw/zinc/31/06/64/939310664.db2.gz BICJJUQRKMMWNQ-NZQKXSOJSA-N -1 3 393.487 3.049 20 0 GGADHM O=C([O-])[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1cccs1 ZINC000908750761 939311536 /nfs/dbraw/zinc/31/15/36/939311536.db2.gz IFHIZPWDKNTAQN-SWLSCSKDSA-N -1 3 379.507 3.072 20 0 GGADHM C[C@](NC(=O)NC[C@H](c1cccs1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908751119 939311707 /nfs/dbraw/zinc/31/17/07/939311707.db2.gz JYVSIHKEVOAFSW-OXQOHEQNSA-N -1 3 387.505 3.184 20 0 GGADHM C[C@@](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908752376 939311878 /nfs/dbraw/zinc/31/18/78/939311878.db2.gz QBFJJORVOJVRKI-KNQAVFIVSA-N -1 3 381.476 3.123 20 0 GGADHM O=C([O-])C1(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCCCC1 ZINC000908752945 939312094 /nfs/dbraw/zinc/31/20/94/939312094.db2.gz UAMFBUVRNUFFIE-HNNXBMFYSA-N -1 3 379.526 3.362 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccs2)N(C)C)cc1 ZINC000908753735 939312628 /nfs/dbraw/zinc/31/26/28/939312628.db2.gz OXRRGWADVOWCMY-DOTOQJQBSA-N -1 3 375.494 3.038 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000908755357 939313124 /nfs/dbraw/zinc/31/31/24/939313124.db2.gz XELLOUKNWGMAGR-KNQAVFIVSA-N -1 3 383.492 3.151 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908757273 939314087 /nfs/dbraw/zinc/31/40/87/939314087.db2.gz SEAFHZNMXABTRS-WOJBJXKFSA-N -1 3 381.476 3.003 20 0 GGADHM CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCCC1)N1CCc2ccccc2C1 ZINC000908808035 939323823 /nfs/dbraw/zinc/32/38/23/939323823.db2.gz XHAUKIMNAYUCBO-UHFFFAOYSA-N -1 3 387.524 3.300 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccsc1 ZINC000908807053 939324066 /nfs/dbraw/zinc/32/40/66/939324066.db2.gz SIUOGQJQZNSIER-IAGOWNOFSA-N -1 3 393.484 3.395 20 0 GGADHM CC[C@H](CNC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)N1CCc2ccccc2C1 ZINC000908808514 939324128 /nfs/dbraw/zinc/32/41/28/939324128.db2.gz AUUIUWCPBUKAIY-ZWDAVXSWSA-N -1 3 387.524 3.156 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000908807045 939324327 /nfs/dbraw/zinc/32/43/27/939324327.db2.gz SHBHVIPKHDOZMD-FXAWDEMLSA-N -1 3 389.521 3.430 20 0 GGADHM CC[C@H](CNC(=O)NC1(C(=O)[O-])CCCCCC1)N1CCc2ccccc2C1 ZINC000908810613 939324819 /nfs/dbraw/zinc/32/48/19/939324819.db2.gz HKXHNRDZXIFHFY-LJQANCHMSA-N -1 3 387.524 3.300 20 0 GGADHM CC[C@@H](CNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)N1CCc2ccccc2C1 ZINC000908809677 939324852 /nfs/dbraw/zinc/32/48/52/939324852.db2.gz OPYRQLAPVMUNBU-REWPJTCUSA-N -1 3 395.503 3.123 20 0 GGADHM Cc1cc(C)cc([C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908847396 939334931 /nfs/dbraw/zinc/33/49/31/939334931.db2.gz PAYVDNDKWMIJDM-LEWJYISDSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1ccc([C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908846823 939334977 /nfs/dbraw/zinc/33/49/77/939334977.db2.gz DCQPGFQJWJPLDL-NHCUHLMSSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908846825 939334990 /nfs/dbraw/zinc/33/49/90/939334990.db2.gz DCQPGFQJWJPLDL-SFTDATJTSA-N -1 3 395.503 3.393 20 0 GGADHM CC[C@](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908846876 939335179 /nfs/dbraw/zinc/33/51/79/939335179.db2.gz FIRXWJMBBCKSAZ-NFBKMPQASA-N -1 3 395.503 3.340 20 0 GGADHM CC[C@@](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908846879 939335230 /nfs/dbraw/zinc/33/52/30/939335230.db2.gz FIRXWJMBBCKSAZ-REWPJTCUSA-N -1 3 395.503 3.340 20 0 GGADHM CC[C@@](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908846878 939335337 /nfs/dbraw/zinc/33/53/37/939335337.db2.gz FIRXWJMBBCKSAZ-OFNKIYASSA-N -1 3 395.503 3.340 20 0 GGADHM CCC1CCC(NC(=O)NCC2(N3CCSCC3)CCCC2)(C(=O)[O-])CC1 ZINC000908849702 939335558 /nfs/dbraw/zinc/33/55/58/939335558.db2.gz SKJIEZAVCDMDRN-UHFFFAOYSA-N -1 3 397.585 3.071 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908847678 939335879 /nfs/dbraw/zinc/33/58/79/939335879.db2.gz RTZCBTYSVBLDPW-CTNGQTDRSA-N -1 3 395.503 3.393 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000908884632 939345156 /nfs/dbraw/zinc/34/51/56/939345156.db2.gz LTRYHPXVUXGIDC-ALKREAHSSA-N -1 3 385.439 3.086 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000908884636 939345378 /nfs/dbraw/zinc/34/53/78/939345378.db2.gz LTRYHPXVUXGIDC-SIXWZSSISA-N -1 3 385.439 3.086 20 0 GGADHM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2F)N2CCCC2)cc1 ZINC000908902082 939348120 /nfs/dbraw/zinc/34/81/20/939348120.db2.gz UFYRCXPBRJLKJB-PMACEKPBSA-N -1 3 399.466 3.396 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CCc2ccccc21 ZINC000908975086 939363320 /nfs/dbraw/zinc/36/33/20/939363320.db2.gz OXOMTEMKEXOFDT-QHCPKHFHSA-N -1 3 378.472 3.329 20 0 GGADHM Cc1ccc([C@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1C ZINC000908990824 939366923 /nfs/dbraw/zinc/36/69/23/939366923.db2.gz VPGFBPUTYDMVTE-XLIONFOSSA-N -1 3 383.492 3.249 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])c1C ZINC000908989100 939367085 /nfs/dbraw/zinc/36/70/85/939367085.db2.gz NACDHINKNDELGY-OXJNMPFZSA-N -1 3 383.492 3.249 20 0 GGADHM CCC1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)(C(=O)[O-])CC1 ZINC000908996569 939368302 /nfs/dbraw/zinc/36/83/02/939368302.db2.gz GHMHMZYBHRMWOT-OZWAEMERSA-N -1 3 387.524 3.374 20 0 GGADHM CC[C@](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908998434 939369251 /nfs/dbraw/zinc/36/92/51/939369251.db2.gz RKXTZFQTJLGFEN-NFBKMPQASA-N -1 3 395.503 3.340 20 0 GGADHM Cc1ccc([C@@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])cc1C ZINC000908999470 939369311 /nfs/dbraw/zinc/36/93/11/939369311.db2.gz ZBGJFGQJDIGFHA-NHCUHLMSSA-N -1 3 395.503 3.393 20 0 GGADHM Cc1cc([C@@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908998416 939369556 /nfs/dbraw/zinc/36/95/56/939369556.db2.gz QXTGXPDVHFKWCR-UYAOXDASSA-N -1 3 399.466 3.224 20 0 GGADHM CCC1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)(C(=O)[O-])CC1 ZINC000909000819 939369710 /nfs/dbraw/zinc/36/97/10/939369710.db2.gz DOHZLVGDQWFGKU-FDHNLUJUSA-N -1 3 387.524 3.372 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C(=O)[O-])cc1C ZINC000909000801 939369799 /nfs/dbraw/zinc/36/97/99/939369799.db2.gz CZVBRDKPDPWTCS-WMQCIHAUSA-N -1 3 395.503 3.391 20 0 GGADHM C[C@@H]1[C@@H](NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)CCN1Cc1ccccc1 ZINC000909001412 939369807 /nfs/dbraw/zinc/36/98/07/939369807.db2.gz KXCLPJMUPXDIFM-LSTHTHJFSA-N -1 3 387.524 3.372 20 0 GGADHM CCC1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)(C(=O)[O-])CC1 ZINC000909066510 939375753 /nfs/dbraw/zinc/37/57/53/939375753.db2.gz IHMKYZIYJXPOMM-BTARREFKSA-N -1 3 387.524 3.230 20 0 GGADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[O-])c1C ZINC000909066380 939375841 /nfs/dbraw/zinc/37/58/41/939375841.db2.gz FZUOYEHSFOVVKD-HBGVWJBISA-N -1 3 395.503 3.249 20 0 GGADHM CCC1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)(C(=O)[O-])CC1 ZINC000909066520 939375921 /nfs/dbraw/zinc/37/59/21/939375921.db2.gz IHMKYZIYJXPOMM-JPNCZVRGSA-N -1 3 387.524 3.230 20 0 GGADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[O-])c1 ZINC000909069288 939376410 /nfs/dbraw/zinc/37/64/10/939376410.db2.gz NQXAMIIEKCBBKN-QMMLZNLJSA-N -1 3 395.503 3.249 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](C(=O)[O-])C1CCCCCC1 ZINC000909070030 939376566 /nfs/dbraw/zinc/37/65/66/939376566.db2.gz PRCPWBPCVAEAME-UXPWSPDFSA-N -1 3 387.524 3.230 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[O-])cc1C ZINC000909070861 939377134 /nfs/dbraw/zinc/37/71/34/939377134.db2.gz VWJLJVJARVIJGN-UIFIKXQLSA-N -1 3 395.503 3.249 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[O-])ccc1F ZINC000909071432 939377203 /nfs/dbraw/zinc/37/72/03/939377203.db2.gz YDOXKBJOJZWBPN-BEVDRBHNSA-N -1 3 399.466 3.080 20 0 GGADHM Cc1cc([C@H](NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000909095135 939379909 /nfs/dbraw/zinc/37/99/09/939379909.db2.gz RYGVBXUAIBAAFH-ZTNFWEORSA-N -1 3 399.466 3.222 20 0 GGADHM CCC1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000909094215 939380286 /nfs/dbraw/zinc/38/02/86/939380286.db2.gz HOUZBAPEOBVEQT-JPNCZVRGSA-N -1 3 387.524 3.372 20 0 GGADHM Cc1ccc([C@H](NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000909095940 939381296 /nfs/dbraw/zinc/38/12/96/939381296.db2.gz ZLRSYIYOCBQUSJ-UIFIKXQLSA-N -1 3 395.503 3.391 20 0 GGADHM O=C([O-])[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccc2c(c1)CCO2 ZINC000909790742 939728345 /nfs/dbraw/zinc/72/83/45/939728345.db2.gz BXGZKKBSKPGJEN-OAQYLSRUSA-N -1 3 394.471 3.163 20 0 GGADHM C[C@H]1CC[C@@](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])CC1 ZINC000909949746 939746687 /nfs/dbraw/zinc/74/66/87/939746687.db2.gz JRRTVMBVNJLVTL-WJPUGNRLSA-N -1 3 376.472 3.187 20 0 GGADHM CCCCCCN(C)CC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000909953082 939747229 /nfs/dbraw/zinc/74/72/29/939747229.db2.gz CUBACYMPZSEGBT-INIZCTEOSA-N -1 3 385.302 3.203 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000910378611 939754612 /nfs/dbraw/zinc/75/46/12/939754612.db2.gz BQLYBEIRDFDNFT-MRXNPFEDSA-N -1 3 380.366 3.323 20 0 GGADHM CN(C)Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000911064172 939769990 /nfs/dbraw/zinc/76/99/90/939769990.db2.gz UHFLPFQMXSHQEX-MRXNPFEDSA-N -1 3 380.366 3.323 20 0 GGADHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc(C)c1F ZINC001123275595 939818912 /nfs/dbraw/zinc/81/89/12/939818912.db2.gz SFPWLNBODGKBEH-QFIPXVFZSA-N -1 3 384.451 3.292 20 0 GGADHM CCc1ccc(F)cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123277734 939819773 /nfs/dbraw/zinc/81/97/73/939819773.db2.gz NLTRDRVRTLUISL-JOCHJYFZSA-N -1 3 384.451 3.237 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc3cnccc3c2)CCCN(Cc2ccccc2)C1 ZINC001123377758 939823118 /nfs/dbraw/zinc/82/31/18/939823118.db2.gz CVOMEIGFDIKYQQ-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CCCN(Cc2ccccc2)C1 ZINC001123379498 939824389 /nfs/dbraw/zinc/82/43/89/939824389.db2.gz XJYASJLKBZUAGA-UGKGYDQZSA-N -1 3 398.890 3.215 20 0 GGADHM CC[C@@](NC(=O)NC[C@@H]1CCN1C(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000656585977 939845213 /nfs/dbraw/zinc/84/52/13/939845213.db2.gz HXRKGLCFRWXCDK-KXBFYZLASA-N -1 3 381.904 3.202 20 0 GGADHM O=C([O-])[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCC1 ZINC000663105447 939855395 /nfs/dbraw/zinc/85/53/95/939855395.db2.gz RDRHYVZLACXHFV-GOSISDBHSA-N -1 3 376.522 3.107 20 0 GGADHM O=C([O-])[C@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCC1 ZINC000663105448 939855408 /nfs/dbraw/zinc/85/54/08/939855408.db2.gz RDRHYVZLACXHFV-SFHVURJKSA-N -1 3 376.522 3.107 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)[C@H](C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000663109036 939855963 /nfs/dbraw/zinc/85/59/63/939855963.db2.gz BJYUWKNQEJGFFK-JKSUJKDBSA-N -1 3 386.414 3.315 20 0 GGADHM C[C@](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)(C(=O)[O-])c1ccccc1 ZINC000663140801 939857320 /nfs/dbraw/zinc/85/73/20/939857320.db2.gz HYGVENSOYHZODW-HTAPYJJXSA-N -1 3 384.451 3.154 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1Cc2ccccc2[C@@H]1C ZINC000819876412 945303106 /nfs/dbraw/zinc/30/31/06/945303106.db2.gz HBESVUVRXJLBFT-RYUDHWBXSA-N -1 3 394.504 3.321 20 0 GGADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1Cc2ccccc2[C@@H]1C ZINC000819876412 945303111 /nfs/dbraw/zinc/30/31/11/945303111.db2.gz HBESVUVRXJLBFT-RYUDHWBXSA-N -1 3 394.504 3.321 20 0 GGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819928826 945314142 /nfs/dbraw/zinc/31/41/42/945314142.db2.gz YFXKJHZFXLKREW-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819928826 945314153 /nfs/dbraw/zinc/31/41/53/945314153.db2.gz YFXKJHZFXLKREW-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM CC(C)C(=O)Nc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820011683 945328432 /nfs/dbraw/zinc/32/84/32/945328432.db2.gz OGWMWDDMEBUAKO-UHFFFAOYSA-N -1 3 381.436 3.309 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820020479 945330634 /nfs/dbraw/zinc/33/06/34/945330634.db2.gz HUAYENSFMHTYKN-IBGZPJMESA-N -1 3 396.470 3.415 20 0 GGADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820020479 945330644 /nfs/dbraw/zinc/33/06/44/945330644.db2.gz HUAYENSFMHTYKN-IBGZPJMESA-N -1 3 396.470 3.415 20 0 GGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820122091 945357450 /nfs/dbraw/zinc/35/74/50/945357450.db2.gz ZQFKXCBUPJWEFJ-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820122091 945357459 /nfs/dbraw/zinc/35/74/59/945357459.db2.gz ZQFKXCBUPJWEFJ-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM CN(C)C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001610894510 970779560 /nfs/dbraw/zinc/77/95/60/970779560.db2.gz WUFYLEJIUWHNLZ-QGZVFWFLSA-N -1 3 375.856 3.392 20 0 GGADHM Cc1c(-c2cc(CN3CCC(c4ccccc4C(=O)[O-])CC3)on2)cnn1C ZINC001611118642 970896796 /nfs/dbraw/zinc/89/67/96/970896796.db2.gz KEKPVJOSOQAVKA-UHFFFAOYSA-N -1 3 380.448 3.461 20 0 GGADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000323585898 971019332 /nfs/dbraw/zinc/01/93/32/971019332.db2.gz CNNLQZAFRZDRJX-NSHDSACASA-N -1 3 384.274 3.014 20 0 GGADHM CC(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000442982620 944634508 /nfs/dbraw/zinc/63/45/08/944634508.db2.gz JWHKBUCLBCMSBX-UHFFFAOYSA-N -1 3 391.884 3.122 20 0 GGADHM CC(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000442982620 944634516 /nfs/dbraw/zinc/63/45/16/944634516.db2.gz JWHKBUCLBCMSBX-UHFFFAOYSA-N -1 3 391.884 3.122 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC1CCCC1 ZINC000543282630 944638034 /nfs/dbraw/zinc/63/80/34/944638034.db2.gz RBOONSDNDCDFQD-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OC1CCCC1 ZINC000543282630 944638040 /nfs/dbraw/zinc/63/80/40/944638040.db2.gz RBOONSDNDCDFQD-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735667054 944686534 /nfs/dbraw/zinc/68/65/34/944686534.db2.gz VLQBKLNLSDPPKJ-UHFFFAOYSA-N -1 3 382.443 3.216 20 0 GGADHM CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735667054 944686537 /nfs/dbraw/zinc/68/65/37/944686537.db2.gz VLQBKLNLSDPPKJ-UHFFFAOYSA-N -1 3 382.443 3.216 20 0 GGADHM CC(C)(CNC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000735670420 944689003 /nfs/dbraw/zinc/68/90/03/944689003.db2.gz PGDGKCGCPWYWJQ-UHFFFAOYSA-N -1 3 379.848 3.428 20 0 GGADHM CC(C)(CNC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000735670420 944689011 /nfs/dbraw/zinc/68/90/11/944689011.db2.gz PGDGKCGCPWYWJQ-UHFFFAOYSA-N -1 3 379.848 3.428 20 0 GGADHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735942415 944728610 /nfs/dbraw/zinc/72/86/10/944728610.db2.gz IQXHIZJGUJDGHN-UHFFFAOYSA-N -1 3 380.239 3.283 20 0 GGADHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735942415 944728615 /nfs/dbraw/zinc/72/86/15/944728615.db2.gz IQXHIZJGUJDGHN-UHFFFAOYSA-N -1 3 380.239 3.283 20 0 GGADHM C[C@@H](CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735986830 944729500 /nfs/dbraw/zinc/72/95/00/944729500.db2.gz QFLIZRQNMNTRQS-OXJNMPFZSA-N -1 3 390.491 3.146 20 0 GGADHM CC[C@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736374903 944812592 /nfs/dbraw/zinc/81/25/92/944812592.db2.gz GJZCWZXHFJFHDU-ZDUSSCGKSA-N -1 3 375.498 3.483 20 0 GGADHM CC[C@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736374903 944812595 /nfs/dbraw/zinc/81/25/95/944812595.db2.gz GJZCWZXHFJFHDU-ZDUSSCGKSA-N -1 3 375.498 3.483 20 0 GGADHM CCCOC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000736489412 944833850 /nfs/dbraw/zinc/83/38/50/944833850.db2.gz ZJDYSNLOURVIRJ-MRVPVSSYSA-N -1 3 375.376 3.023 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCc2cccc(OC)c2)n1 ZINC000736603318 944853551 /nfs/dbraw/zinc/85/35/51/944853551.db2.gz NQXODAZQZLHLGT-UHFFFAOYSA-N -1 3 399.476 3.172 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCc2cccc(OC)c2)n1 ZINC000736603318 944853562 /nfs/dbraw/zinc/85/35/62/944853562.db2.gz NQXODAZQZLHLGT-UHFFFAOYSA-N -1 3 399.476 3.172 20 0 GGADHM CN(Cc1cc[nH]n1)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736814164 944894351 /nfs/dbraw/zinc/89/43/51/944894351.db2.gz ORWQEKOJUQLKJT-UHFFFAOYSA-N -1 3 390.407 3.046 20 0 GGADHM COc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cc1OC ZINC000737103704 944958978 /nfs/dbraw/zinc/95/89/78/944958978.db2.gz SFMMYZQNKMNNPF-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM COc1ccc(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cc1OC ZINC000737103704 944958983 /nfs/dbraw/zinc/95/89/83/944958983.db2.gz SFMMYZQNKMNNPF-NSHDSACASA-N -1 3 385.449 3.003 20 0 GGADHM COc1cccc2c1OC[C@@H](Nc1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)C2 ZINC000737142287 944967509 /nfs/dbraw/zinc/96/75/09/944967509.db2.gz JYSZEOHPDYLRMI-LBPRGKRZSA-N -1 3 391.353 3.310 20 0 GGADHM COc1cccc2c1OC[C@@H](Nc1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)C2 ZINC000737142287 944967520 /nfs/dbraw/zinc/96/75/20/944967520.db2.gz JYSZEOHPDYLRMI-LBPRGKRZSA-N -1 3 391.353 3.310 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)C1 ZINC000737173168 944976550 /nfs/dbraw/zinc/97/65/50/944976550.db2.gz XHJAKIVOBHCFCR-SJORKVTESA-N -1 3 388.541 3.461 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)C1 ZINC000737173168 944976554 /nfs/dbraw/zinc/97/65/54/944976554.db2.gz XHJAKIVOBHCFCR-SJORKVTESA-N -1 3 388.541 3.461 20 0 GGADHM Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737253087 945019046 /nfs/dbraw/zinc/01/90/46/945019046.db2.gz PVHXSTGUYYENNK-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737253087 945019054 /nfs/dbraw/zinc/01/90/54/945019054.db2.gz PVHXSTGUYYENNK-LBPRGKRZSA-N -1 3 399.838 3.321 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)c1ccc2ccccc2c1 ZINC000737296805 945031934 /nfs/dbraw/zinc/03/19/34/945031934.db2.gz QCUPDNUAKPNDKD-UHFFFAOYSA-N -1 3 379.445 3.153 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)c1ccc2ccccc2c1 ZINC000737296805 945031943 /nfs/dbraw/zinc/03/19/43/945031943.db2.gz QCUPDNUAKPNDKD-UHFFFAOYSA-N -1 3 379.445 3.153 20 0 GGADHM C[C@H](NC(=O)N1CC(Cc2ccccc2Cl)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341356 945418609 /nfs/dbraw/zinc/41/86/09/945418609.db2.gz QFCFGWVUCACVBS-ZDUSSCGKSA-N -1 3 396.882 3.465 20 0 GGADHM C[C@H](NC(=O)N1CC(Cc2ccccc2Cl)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341356 945418615 /nfs/dbraw/zinc/41/86/15/945418615.db2.gz QFCFGWVUCACVBS-ZDUSSCGKSA-N -1 3 396.882 3.465 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820365997 945432501 /nfs/dbraw/zinc/43/25/01/945432501.db2.gz MSAQTHLGMBPPBK-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820365997 945432507 /nfs/dbraw/zinc/43/25/07/945432507.db2.gz MSAQTHLGMBPPBK-OAHLLOKOSA-N -1 3 399.458 3.489 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820461487 945457004 /nfs/dbraw/zinc/45/70/04/945457004.db2.gz KXFNBWJVMOQFDC-AWEZNQCLSA-N -1 3 380.452 3.326 20 0 GGADHM CC(C)N(C)C(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820461487 945457017 /nfs/dbraw/zinc/45/70/17/945457017.db2.gz KXFNBWJVMOQFDC-AWEZNQCLSA-N -1 3 380.452 3.326 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513027 945472165 /nfs/dbraw/zinc/47/21/65/945472165.db2.gz SIKBXSZKICHEFE-LBPRGKRZSA-N -1 3 392.419 3.069 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513027 945472176 /nfs/dbraw/zinc/47/21/76/945472176.db2.gz SIKBXSZKICHEFE-LBPRGKRZSA-N -1 3 392.419 3.069 20 0 GGADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1nc2cc(Cl)ccc2n1C ZINC000820518580 945472606 /nfs/dbraw/zinc/47/26/06/945472606.db2.gz HDCQJPWQLKINBH-MRVPVSSYSA-N -1 3 388.840 3.386 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)O1 ZINC000820690443 945526353 /nfs/dbraw/zinc/52/63/53/945526353.db2.gz LYRYRVNCXGRIJL-BBRMVZONSA-N -1 3 394.435 3.340 20 0 GGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)O1 ZINC000820690443 945526363 /nfs/dbraw/zinc/52/63/63/945526363.db2.gz LYRYRVNCXGRIJL-BBRMVZONSA-N -1 3 394.435 3.340 20 0 GGADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820993964 945605884 /nfs/dbraw/zinc/60/58/84/945605884.db2.gz CYWZEPVKJIPHKW-BEFAXECRSA-N -1 3 397.504 3.071 20 0 GGADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820993964 945605890 /nfs/dbraw/zinc/60/58/90/945605890.db2.gz CYWZEPVKJIPHKW-BEFAXECRSA-N -1 3 397.504 3.071 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1csc(C)n1 ZINC000821118281 945638585 /nfs/dbraw/zinc/63/85/85/945638585.db2.gz KMGSHNWSZLRWFN-UHFFFAOYSA-N -1 3 385.497 3.415 20 0 GGADHM CCCc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821142556 945642706 /nfs/dbraw/zinc/64/27/06/945642706.db2.gz JXFPKWKMZZKYJL-UHFFFAOYSA-N -1 3 378.841 3.240 20 0 GGADHM CCCc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821142556 945642709 /nfs/dbraw/zinc/64/27/09/945642709.db2.gz JXFPKWKMZZKYJL-UHFFFAOYSA-N -1 3 378.841 3.240 20 0 GGADHM CCOC[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000821367738 945684219 /nfs/dbraw/zinc/68/42/19/945684219.db2.gz MXSRFYMOBXUPKK-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM CCOC[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821367738 945684226 /nfs/dbraw/zinc/68/42/26/945684226.db2.gz MXSRFYMOBXUPKK-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM CN(Cc1cc2ccccc2o1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821608475 945741960 /nfs/dbraw/zinc/74/19/60/945741960.db2.gz IVRPGBSYSPNZTK-UHFFFAOYSA-N -1 3 379.445 3.364 20 0 GGADHM CN(Cc1cc2ccccc2o1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821608475 945741965 /nfs/dbraw/zinc/74/19/65/945741965.db2.gz IVRPGBSYSPNZTK-UHFFFAOYSA-N -1 3 379.445 3.364 20 0 GGADHM CO[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821677735 945796065 /nfs/dbraw/zinc/79/60/65/945796065.db2.gz DBOZAHIHCYBYHS-MSOLQXFVSA-N -1 3 377.448 3.077 20 0 GGADHM CO[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821677735 945796068 /nfs/dbraw/zinc/79/60/68/945796068.db2.gz DBOZAHIHCYBYHS-MSOLQXFVSA-N -1 3 377.448 3.077 20 0 GGADHM CSc1ccc(-c2nsc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821979711 945911644 /nfs/dbraw/zinc/91/16/44/945911644.db2.gz VHOAEMRHIBVQGK-UHFFFAOYSA-N -1 3 395.473 3.359 20 0 GGADHM CSc1ccc(-c2nsc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821979711 945911652 /nfs/dbraw/zinc/91/16/52/945911652.db2.gz VHOAEMRHIBVQGK-UHFFFAOYSA-N -1 3 395.473 3.359 20 0 GGADHM CSc1ccc(-c2nsc(NC(=O)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821979734 945912604 /nfs/dbraw/zinc/91/26/04/945912604.db2.gz VTCSDWLRVOCOFT-UHFFFAOYSA-N -1 3 395.473 3.359 20 0 GGADHM CSc1ccc(-c2nsc(NC(=O)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821979734 945912608 /nfs/dbraw/zinc/91/26/08/945912608.db2.gz VTCSDWLRVOCOFT-UHFFFAOYSA-N -1 3 395.473 3.359 20 0 GGADHM Cc1c(NC(=O)CN(Cc2cccnc2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822066544 945960212 /nfs/dbraw/zinc/96/02/12/945960212.db2.gz FZXHTDXVFQFCIC-UHFFFAOYSA-N -1 3 399.458 3.215 20 0 GGADHM Cc1c(NC(=O)CN(Cc2cccnc2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822066544 945960221 /nfs/dbraw/zinc/96/02/21/945960221.db2.gz FZXHTDXVFQFCIC-UHFFFAOYSA-N -1 3 399.458 3.215 20 0 GGADHM Cc1cc(F)ccc1N(CCC1OCCCO1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822205773 945990150 /nfs/dbraw/zinc/99/01/50/945990150.db2.gz IDMMBXFWZLAYMB-UHFFFAOYSA-N -1 3 397.454 3.474 20 0 GGADHM Cc1cc(F)ccc1N(CCC1OCCCO1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822205773 945990156 /nfs/dbraw/zinc/99/01/56/945990156.db2.gz IDMMBXFWZLAYMB-UHFFFAOYSA-N -1 3 397.454 3.474 20 0 GGADHM Cc1ccc(/C=C/CC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233495 946017762 /nfs/dbraw/zinc/01/77/62/946017762.db2.gz QDDVHQXKFUIFPM-LLYBFZRZSA-N -1 3 391.431 3.149 20 0 GGADHM Cc1ccc(/C=C/CC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233495 946017777 /nfs/dbraw/zinc/01/77/77/946017777.db2.gz QDDVHQXKFUIFPM-LLYBFZRZSA-N -1 3 391.431 3.149 20 0 GGADHM Cc1sc(NC(=O)CN(CCc2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822558289 946127296 /nfs/dbraw/zinc/12/72/96/946127296.db2.gz NVWMSXPTFBNCMQ-UHFFFAOYSA-N -1 3 396.520 3.191 20 0 GGADHM Cc1sc(NC(=O)CN(CCc2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000822558289 946127328 /nfs/dbraw/zinc/12/73/28/946127328.db2.gz NVWMSXPTFBNCMQ-UHFFFAOYSA-N -1 3 396.520 3.191 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000822655453 946147774 /nfs/dbraw/zinc/14/77/74/946147774.db2.gz JQTGYTUXSYQFQX-UHFFFAOYSA-N -1 3 395.810 3.298 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000822655453 946147781 /nfs/dbraw/zinc/14/77/81/946147781.db2.gz JQTGYTUXSYQFQX-UHFFFAOYSA-N -1 3 395.810 3.298 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCC1CCSCC1 ZINC000822955302 946234041 /nfs/dbraw/zinc/23/40/41/946234041.db2.gz PGQWKWIUHBAAKO-UHFFFAOYSA-N -1 3 376.482 3.102 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCC1CCSCC1 ZINC000822955302 946234050 /nfs/dbraw/zinc/23/40/50/946234050.db2.gz PGQWKWIUHBAAKO-UHFFFAOYSA-N -1 3 376.482 3.102 20 0 GGADHM O=C(CNc1ccccc1CCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823013956 946267016 /nfs/dbraw/zinc/26/70/16/946267016.db2.gz DBSKGRKVSHAPTB-UHFFFAOYSA-N -1 3 390.369 3.412 20 0 GGADHM O=C(CNc1ccccc1CCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823013956 946267027 /nfs/dbraw/zinc/26/70/27/946267027.db2.gz DBSKGRKVSHAPTB-UHFFFAOYSA-N -1 3 390.369 3.412 20 0 GGADHM O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823066090 946300270 /nfs/dbraw/zinc/30/02/70/946300270.db2.gz LKQLVYNBGGQDEY-UHFFFAOYSA-N -1 3 398.345 3.150 20 0 GGADHM O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823066090 946300280 /nfs/dbraw/zinc/30/02/80/946300280.db2.gz LKQLVYNBGGQDEY-UHFFFAOYSA-N -1 3 398.345 3.150 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000823235818 946354172 /nfs/dbraw/zinc/35/41/72/946354172.db2.gz YJXALSFFUDLQQT-HNAYVOBHSA-N -1 3 394.454 3.216 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000823235818 946354184 /nfs/dbraw/zinc/35/41/84/946354184.db2.gz YJXALSFFUDLQQT-HNAYVOBHSA-N -1 3 394.454 3.216 20 0 GGADHM O=C(NCc1ccccc1)C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000823261591 946360998 /nfs/dbraw/zinc/36/09/98/946360998.db2.gz OWICCLDYWFYCSP-UHFFFAOYSA-N -1 3 396.882 3.053 20 0 GGADHM O=C(NCc1ccccc1)C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000823261591 946361009 /nfs/dbraw/zinc/36/10/09/946361009.db2.gz OWICCLDYWFYCSP-UHFFFAOYSA-N -1 3 396.882 3.053 20 0 GGADHM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823299299 946408499 /nfs/dbraw/zinc/40/84/99/946408499.db2.gz QQFJOARCJNYPKL-UHFFFAOYSA-N -1 3 386.847 3.013 20 0 GGADHM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823299299 946408502 /nfs/dbraw/zinc/40/85/02/946408502.db2.gz QQFJOARCJNYPKL-UHFFFAOYSA-N -1 3 386.847 3.013 20 0 GGADHM O=C(Nc1ccc(OC2CCCC2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823350521 946415525 /nfs/dbraw/zinc/41/55/25/946415525.db2.gz QHDNDCZDXZDGQT-UHFFFAOYSA-N -1 3 384.827 3.489 20 0 GGADHM O=C(Nc1ccc(OC2CCCC2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823350521 946415534 /nfs/dbraw/zinc/41/55/34/946415534.db2.gz QHDNDCZDXZDGQT-UHFFFAOYSA-N -1 3 384.827 3.489 20 0 GGADHM O=[S@](Cc1csc(Br)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823615030 946454996 /nfs/dbraw/zinc/45/49/96/946454996.db2.gz YGXWQXJUAWAPNR-NRFANRHFSA-N -1 3 383.296 3.140 20 0 GGADHM O=[S@](Cc1csc(Br)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823615030 946455002 /nfs/dbraw/zinc/45/50/02/946455002.db2.gz YGXWQXJUAWAPNR-NRFANRHFSA-N -1 3 383.296 3.140 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](Cc2ccncc2)C1 ZINC000823826827 946486297 /nfs/dbraw/zinc/48/62/97/946486297.db2.gz PLKIOJDJRZAJDP-CYBMUJFWSA-N -1 3 385.269 3.093 20 0 GGADHM Brc1cccc2c1CC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000823832447 946489304 /nfs/dbraw/zinc/48/93/04/946489304.db2.gz OTRZTLGXPAINJB-CYBMUJFWSA-N -1 3 396.252 3.376 20 0 GGADHM Brc1cccc2c1CC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000823832447 946489311 /nfs/dbraw/zinc/48/93/11/946489311.db2.gz OTRZTLGXPAINJB-CYBMUJFWSA-N -1 3 396.252 3.376 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2cccnc2OC2CCCC2)c1 ZINC000824014248 946547526 /nfs/dbraw/zinc/54/75/26/946547526.db2.gz GJFCMACRFYAMKR-UHFFFAOYSA-N -1 3 378.436 3.398 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCc2cccnc2OC2CCCC2)c1 ZINC000824014248 946547534 /nfs/dbraw/zinc/54/75/34/946547534.db2.gz GJFCMACRFYAMKR-UHFFFAOYSA-N -1 3 378.436 3.398 20 0 GGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000824014937 946552831 /nfs/dbraw/zinc/55/28/31/946552831.db2.gz OTMWTCXVMRJASN-UHFFFAOYSA-N -1 3 376.464 3.013 20 0 GGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000824014937 946552838 /nfs/dbraw/zinc/55/28/38/946552838.db2.gz OTMWTCXVMRJASN-UHFFFAOYSA-N -1 3 376.464 3.013 20 0 GGADHM CC(C)(C)SCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824124278 946598321 /nfs/dbraw/zinc/59/83/21/946598321.db2.gz SCFASVAROBRFFP-UHFFFAOYSA-N -1 3 391.888 3.176 20 0 GGADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824192853 946612167 /nfs/dbraw/zinc/61/21/67/946612167.db2.gz MZISUSNBRIAXGR-NSHDSACASA-N -1 3 388.863 3.214 20 0 GGADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824192853 946612170 /nfs/dbraw/zinc/61/21/70/946612170.db2.gz MZISUSNBRIAXGR-NSHDSACASA-N -1 3 388.863 3.214 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824222819 946625379 /nfs/dbraw/zinc/62/53/79/946625379.db2.gz CACSKCCPTHLHPI-IBGZPJMESA-N -1 3 377.448 3.316 20 0 GGADHM CC(C)[C@@H]1CCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824222819 946625385 /nfs/dbraw/zinc/62/53/85/946625385.db2.gz CACSKCCPTHLHPI-IBGZPJMESA-N -1 3 377.448 3.316 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824225776 946626953 /nfs/dbraw/zinc/62/69/53/946626953.db2.gz VULIGUXGTYDUBY-LJQANCHMSA-N -1 3 377.448 3.316 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824225776 946626959 /nfs/dbraw/zinc/62/69/59/946626959.db2.gz VULIGUXGTYDUBY-LJQANCHMSA-N -1 3 377.448 3.316 20 0 GGADHM Brc1cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1-c1nnn[n-]1 ZINC001573279033 946629221 /nfs/dbraw/zinc/62/92/21/946629221.db2.gz BGIXPVHRYJVEQQ-GHJWDPDVSA-N -1 3 383.253 3.022 20 0 GGADHM Brc1cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1-c1nn[n-]n1 ZINC001573279033 946629228 /nfs/dbraw/zinc/62/92/28/946629228.db2.gz BGIXPVHRYJVEQQ-GHJWDPDVSA-N -1 3 383.253 3.022 20 0 GGADHM Brc1cnc(N[C@H](Cc2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC001573279112 946630927 /nfs/dbraw/zinc/63/09/27/946630927.db2.gz CPEQBRAIFVXDDF-OAHLLOKOSA-N -1 3 385.269 3.457 20 0 GGADHM Brc1cnc(N[C@H](Cc2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC001573279112 946630935 /nfs/dbraw/zinc/63/09/35/946630935.db2.gz CPEQBRAIFVXDDF-OAHLLOKOSA-N -1 3 385.269 3.457 20 0 GGADHM Brc1cnc(NCCCSc2ccccn2)cc1-c1nnn[n-]1 ZINC001573279227 946634384 /nfs/dbraw/zinc/63/43/84/946634384.db2.gz DNWKBXZEDCNKFO-UHFFFAOYSA-N -1 3 392.286 3.014 20 0 GGADHM Brc1cnc(NCCCSc2ccccn2)cc1-c1nn[n-]n1 ZINC001573279227 946634390 /nfs/dbraw/zinc/63/43/90/946634390.db2.gz DNWKBXZEDCNKFO-UHFFFAOYSA-N -1 3 392.286 3.014 20 0 GGADHM Brc1cc(N2CCC(c3ccccn3)CC2)ccc1-c1nnn[n-]1 ZINC001573279248 946635359 /nfs/dbraw/zinc/63/53/59/946635359.db2.gz FHGIYZVJLBJIHZ-UHFFFAOYSA-N -1 3 385.269 3.408 20 0 GGADHM Brc1cc(N2CCC(c3ccccn3)CC2)ccc1-c1nn[n-]n1 ZINC001573279248 946635364 /nfs/dbraw/zinc/63/53/64/946635364.db2.gz FHGIYZVJLBJIHZ-UHFFFAOYSA-N -1 3 385.269 3.408 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000824292911 946646994 /nfs/dbraw/zinc/64/69/94/946646994.db2.gz DIDNKGZGVYMRBF-UHFFFAOYSA-N -1 3 391.479 3.302 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000824292911 946647003 /nfs/dbraw/zinc/64/70/03/946647003.db2.gz DIDNKGZGVYMRBF-UHFFFAOYSA-N -1 3 391.479 3.302 20 0 GGADHM Brc1cc(N2CCCC[C@H]([C@@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001573280028 946651862 /nfs/dbraw/zinc/65/18/62/946651862.db2.gz OGHOEOLYDPUAIS-QWHCGFSZSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1cc(N2CCCC[C@H]([C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001573280028 946651872 /nfs/dbraw/zinc/65/18/72/946651872.db2.gz OGHOEOLYDPUAIS-QWHCGFSZSA-N -1 3 392.301 3.272 20 0 GGADHM Brc1ccc2c(c1)N(CCc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC001573280366 946659429 /nfs/dbraw/zinc/65/94/29/946659429.db2.gz VEELZMQRPUQBFW-UHFFFAOYSA-N -1 3 386.253 3.071 20 0 GGADHM Brc1ccc2c(c1)N(CCc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC001573280366 946659434 /nfs/dbraw/zinc/65/94/34/946659434.db2.gz VEELZMQRPUQBFW-UHFFFAOYSA-N -1 3 386.253 3.071 20 0 GGADHM Brc1ccc(-c2nnn[n-]2)c(N[C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC001573280540 946663090 /nfs/dbraw/zinc/66/30/90/946663090.db2.gz UDSJQFLXJBOSJP-IAQYHMDHSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1ccc(-c2nn[n-]n2)c(N[C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC001573280540 946663096 /nfs/dbraw/zinc/66/30/96/946663096.db2.gz UDSJQFLXJBOSJP-IAQYHMDHSA-N -1 3 378.274 3.246 20 0 GGADHM Brc1cc(NCCc2nc3ccccc3o2)ccc1-c1nnn[n-]1 ZINC001573280668 946665467 /nfs/dbraw/zinc/66/54/67/946665467.db2.gz VUGVQILEWSJDCJ-UHFFFAOYSA-N -1 3 385.225 3.425 20 0 GGADHM Brc1cc(NCCc2nc3ccccc3o2)ccc1-c1nn[n-]n1 ZINC001573280668 946665471 /nfs/dbraw/zinc/66/54/71/946665471.db2.gz VUGVQILEWSJDCJ-UHFFFAOYSA-N -1 3 385.225 3.425 20 0 GGADHM Brc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)cn1)CSC2 ZINC001573280698 946665712 /nfs/dbraw/zinc/66/57/12/946665712.db2.gz YOUGWWLPDRFELF-CYBMUJFWSA-N -1 3 389.282 3.424 20 0 GGADHM Brc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)cn1)CSC2 ZINC001573280698 946665715 /nfs/dbraw/zinc/66/57/15/946665715.db2.gz YOUGWWLPDRFELF-CYBMUJFWSA-N -1 3 389.282 3.424 20 0 GGADHM Brc1ccc(CC2(CNc3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC001573280708 946667996 /nfs/dbraw/zinc/66/79/96/946667996.db2.gz YWDFVCIVGUJMCH-UHFFFAOYSA-N -1 3 385.269 3.459 20 0 GGADHM Brc1ccc(CC2(CNc3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC001573280708 946668000 /nfs/dbraw/zinc/66/80/00/946668000.db2.gz YWDFVCIVGUJMCH-UHFFFAOYSA-N -1 3 385.269 3.459 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)CCCO)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824400914 946682866 /nfs/dbraw/zinc/68/28/66/946682866.db2.gz MLNPQWIWICFYKE-LSDHHAIUSA-N -1 3 394.479 3.055 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)CCCO)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824400914 946682871 /nfs/dbraw/zinc/68/28/71/946682871.db2.gz MLNPQWIWICFYKE-LSDHHAIUSA-N -1 3 394.479 3.055 20 0 GGADHM C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470270 946722247 /nfs/dbraw/zinc/72/22/47/946722247.db2.gz HHFZJMJFKZDXPE-FZKQIMNGSA-N -1 3 379.464 3.118 20 0 GGADHM C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470270 946722257 /nfs/dbraw/zinc/72/22/57/946722257.db2.gz HHFZJMJFKZDXPE-FZKQIMNGSA-N -1 3 379.464 3.118 20 0 GGADHM C[C@H](NC(=O)C1CCC(=O)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472384 946724617 /nfs/dbraw/zinc/72/46/17/946724617.db2.gz VRMOKDBWSAHUNY-AWEZNQCLSA-N -1 3 389.459 3.470 20 0 GGADHM C[C@H](NC(=O)C1CCC(=O)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472384 946724624 /nfs/dbraw/zinc/72/46/24/946724624.db2.gz VRMOKDBWSAHUNY-AWEZNQCLSA-N -1 3 389.459 3.470 20 0 GGADHM C[C@@H](NC(=O)C=Cc1cnn(C)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480330 946732647 /nfs/dbraw/zinc/73/26/47/946732647.db2.gz VOSINOHQSWUTND-KDHUCADRSA-N -1 3 399.458 3.158 20 0 GGADHM C[C@@H](NC(=O)C=Cc1cnn(C)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480330 946732655 /nfs/dbraw/zinc/73/26/55/946732655.db2.gz VOSINOHQSWUTND-KDHUCADRSA-N -1 3 399.458 3.158 20 0 GGADHM C[C@@H](NC(=O)NCc1cocn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500207 946746167 /nfs/dbraw/zinc/74/61/67/946746167.db2.gz VBWKKNIMLVZPSN-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@@H](NC(=O)NCc1cocn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500207 946746180 /nfs/dbraw/zinc/74/61/80/946746180.db2.gz VBWKKNIMLVZPSN-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514530 946757417 /nfs/dbraw/zinc/75/74/17/946757417.db2.gz NXJVRVXMLDNWDU-MRVPVSSYSA-N -1 3 377.235 3.247 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514530 946757443 /nfs/dbraw/zinc/75/74/43/946757443.db2.gz NXJVRVXMLDNWDU-MRVPVSSYSA-N -1 3 377.235 3.247 20 0 GGADHM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824529578 946765038 /nfs/dbraw/zinc/76/50/38/946765038.db2.gz HDMVDQJWPVXIBE-KGLIPLIRSA-N -1 3 375.436 3.252 20 0 GGADHM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824529578 946765044 /nfs/dbraw/zinc/76/50/44/946765044.db2.gz HDMVDQJWPVXIBE-KGLIPLIRSA-N -1 3 375.436 3.252 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824537250 946772913 /nfs/dbraw/zinc/77/29/13/946772913.db2.gz CQAZLRMFRFYUSN-SCLBCKFNSA-N -1 3 377.427 3.180 20 0 GGADHM C[C@H](N[C@@H](c1nccn1C)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824537250 946772921 /nfs/dbraw/zinc/77/29/21/946772921.db2.gz CQAZLRMFRFYUSN-SCLBCKFNSA-N -1 3 377.427 3.180 20 0 GGADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573542714 946800703 /nfs/dbraw/zinc/80/07/03/946800703.db2.gz MIOGOVMEZVASFP-LLVKDONJSA-N -1 3 398.854 3.296 20 0 GGADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573542714 946800718 /nfs/dbraw/zinc/80/07/18/946800718.db2.gz MIOGOVMEZVASFP-LLVKDONJSA-N -1 3 398.854 3.296 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)c1 ZINC001573546918 946820442 /nfs/dbraw/zinc/82/04/42/946820442.db2.gz BPDKETKBQHPECR-UHFFFAOYSA-N -1 3 396.838 3.072 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)c1 ZINC001573546918 946820451 /nfs/dbraw/zinc/82/04/51/946820451.db2.gz BPDKETKBQHPECR-UHFFFAOYSA-N -1 3 396.838 3.072 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573547765 946840512 /nfs/dbraw/zinc/84/05/12/946840512.db2.gz TUUIPXAXAZGFCG-NSHDSACASA-N -1 3 398.854 3.296 20 0 GGADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573547765 946840527 /nfs/dbraw/zinc/84/05/27/946840527.db2.gz TUUIPXAXAZGFCG-NSHDSACASA-N -1 3 398.854 3.296 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001573551073 946869626 /nfs/dbraw/zinc/86/96/26/946869626.db2.gz GKBXKDWEYDRXPK-KGLIPLIRSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001573551073 946869638 /nfs/dbraw/zinc/86/96/38/946869638.db2.gz GKBXKDWEYDRXPK-KGLIPLIRSA-N -1 3 383.358 3.090 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC001573551747 946871488 /nfs/dbraw/zinc/87/14/88/946871488.db2.gz KATLLIFKJFTMOC-LBPRGKRZSA-N -1 3 399.838 3.437 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC001573551747 946871497 /nfs/dbraw/zinc/87/14/97/946871497.db2.gz KATLLIFKJFTMOC-LBPRGKRZSA-N -1 3 399.838 3.437 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCc1cncc2ccccc21 ZINC001573551861 946874633 /nfs/dbraw/zinc/87/46/33/946874633.db2.gz KWPYQIWIPGZUSD-UHFFFAOYSA-N -1 3 386.415 3.189 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCc1cncc2ccccc21 ZINC001573551861 946874646 /nfs/dbraw/zinc/87/46/46/946874646.db2.gz KWPYQIWIPGZUSD-UHFFFAOYSA-N -1 3 386.415 3.189 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001573552529 946877510 /nfs/dbraw/zinc/87/75/10/946877510.db2.gz QGWPPKVRTKLKRK-VVFCZOMOSA-N -1 3 399.495 3.485 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001573552529 946877526 /nfs/dbraw/zinc/87/75/26/946877526.db2.gz QGWPPKVRTKLKRK-VVFCZOMOSA-N -1 3 399.495 3.485 20 0 GGADHM C[C@](O)(CNc1ccc(Br)cc1-c1nnn[n-]1)c1ccsc1 ZINC000824678035 946893639 /nfs/dbraw/zinc/89/36/39/946893639.db2.gz KDBSYIOAXWMBTO-AWEZNQCLSA-N -1 3 380.271 3.010 20 0 GGADHM C[C@](O)(CNc1ccc(Br)cc1-c1nn[n-]n1)c1ccsc1 ZINC000824678035 946893646 /nfs/dbraw/zinc/89/36/46/946893646.db2.gz KDBSYIOAXWMBTO-AWEZNQCLSA-N -1 3 380.271 3.010 20 0 GGADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC001573554361 946898278 /nfs/dbraw/zinc/89/82/78/946898278.db2.gz RTWHVQCQQBURKA-UHFFFAOYSA-N -1 3 379.420 3.356 20 0 GGADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC001573554361 946898285 /nfs/dbraw/zinc/89/82/85/946898285.db2.gz RTWHVQCQQBURKA-UHFFFAOYSA-N -1 3 379.420 3.356 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000824728806 946914704 /nfs/dbraw/zinc/91/47/04/946914704.db2.gz HWMHVLKZTUDDMC-SNVBAGLBSA-N -1 3 375.791 3.090 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000824727557 946914796 /nfs/dbraw/zinc/91/47/96/946914796.db2.gz BKRZJOHXXFVZTH-ZBEGNZNMSA-N -1 3 399.451 3.126 20 0 GGADHM CC(=O)c1ccc(CCNc2cc(Br)ccc2-c2nnn[n-]2)cc1 ZINC001573556207 946924828 /nfs/dbraw/zinc/92/48/28/946924828.db2.gz MAUSJQINWLKWRD-UHFFFAOYSA-N -1 3 386.253 3.486 20 0 GGADHM CC(=O)c1ccc(CCNc2cc(Br)ccc2-c2nn[n-]n2)cc1 ZINC001573556207 946924838 /nfs/dbraw/zinc/92/48/38/946924838.db2.gz MAUSJQINWLKWRD-UHFFFAOYSA-N -1 3 386.253 3.486 20 0 GGADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573556691 946928765 /nfs/dbraw/zinc/92/87/65/946928765.db2.gz VELXJDPBRCSLSI-UHFFFAOYSA-N -1 3 398.426 3.311 20 0 GGADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573556691 946928772 /nfs/dbraw/zinc/92/87/72/946928772.db2.gz VELXJDPBRCSLSI-UHFFFAOYSA-N -1 3 398.426 3.311 20 0 GGADHM CC1(NC(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CCCC1 ZINC000824829409 946947044 /nfs/dbraw/zinc/94/70/44/946947044.db2.gz DLKCSSVDHFEJIZ-UHFFFAOYSA-N -1 3 386.847 3.160 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000824876281 946969986 /nfs/dbraw/zinc/96/99/86/946969986.db2.gz RNJFJCBVILRTSE-UKRRQHHQSA-N -1 3 380.404 3.380 20 0 GGADHM C[C@@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000824876281 946969991 /nfs/dbraw/zinc/96/99/91/946969991.db2.gz RNJFJCBVILRTSE-UKRRQHHQSA-N -1 3 380.404 3.380 20 0 GGADHM C[C@H]1COc2ccccc2CN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000825012219 947042244 /nfs/dbraw/zinc/04/22/44/947042244.db2.gz FGFMYOZGGOLXCM-JTQLQIEISA-N -1 3 376.342 3.068 20 0 GGADHM C[C@H]1COc2ccccc2CN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000825012219 947042258 /nfs/dbraw/zinc/04/22/58/947042258.db2.gz FGFMYOZGGOLXCM-JTQLQIEISA-N -1 3 376.342 3.068 20 0 GGADHM CCC(CC)n1nc(C)cc1C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825113657 947080201 /nfs/dbraw/zinc/08/02/01/947080201.db2.gz DHZGPAYLJOPANP-UHFFFAOYSA-N -1 3 384.440 3.098 20 0 GGADHM CCC(CC)n1nc(C)cc1C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825113657 947080209 /nfs/dbraw/zinc/08/02/09/947080209.db2.gz DHZGPAYLJOPANP-UHFFFAOYSA-N -1 3 384.440 3.098 20 0 GGADHM CC[C@@H](CCO)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825115203 947085783 /nfs/dbraw/zinc/08/57/83/947085783.db2.gz VKWFIXJWJITQAV-KUHUBIRLSA-N -1 3 394.479 3.055 20 0 GGADHM CC[C@@H](CCO)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825115203 947085795 /nfs/dbraw/zinc/08/57/95/947085795.db2.gz VKWFIXJWJITQAV-KUHUBIRLSA-N -1 3 394.479 3.055 20 0 GGADHM CC[C@@H]1C[C@H](OC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCO1 ZINC000825184251 947112780 /nfs/dbraw/zinc/11/27/80/947112780.db2.gz ROILOGLAJSHECZ-ZIAGYGMSSA-N -1 3 398.419 3.153 20 0 GGADHM CC[C@@H]1C[C@H](OC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCO1 ZINC000825184251 947112788 /nfs/dbraw/zinc/11/27/88/947112788.db2.gz ROILOGLAJSHECZ-ZIAGYGMSSA-N -1 3 398.419 3.153 20 0 GGADHM CC[C@@H]1C[C@@H](OC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCO1 ZINC000825184247 947113270 /nfs/dbraw/zinc/11/32/70/947113270.db2.gz ROILOGLAJSHECZ-KGLIPLIRSA-N -1 3 398.419 3.153 20 0 GGADHM CC[C@@H]1C[C@@H](OC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCO1 ZINC000825184247 947113277 /nfs/dbraw/zinc/11/32/77/947113277.db2.gz ROILOGLAJSHECZ-KGLIPLIRSA-N -1 3 398.419 3.153 20 0 GGADHM CCCc1c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000825348448 947160895 /nfs/dbraw/zinc/16/08/95/947160895.db2.gz LGAQLSIRSRGJIC-UHFFFAOYSA-N -1 3 387.447 3.186 20 0 GGADHM CCCc1c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000825348448 947160899 /nfs/dbraw/zinc/16/08/99/947160899.db2.gz LGAQLSIRSRGJIC-UHFFFAOYSA-N -1 3 387.447 3.186 20 0 GGADHM CCN(C(=O)Cc1ccc(Cl)nc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376065 947168832 /nfs/dbraw/zinc/16/88/32/947168832.db2.gz BZRRWXGYGFTOBJ-UHFFFAOYSA-N -1 3 391.262 3.473 20 0 GGADHM CCN(C(=O)Cc1ccc(Cl)nc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376065 947168834 /nfs/dbraw/zinc/16/88/34/947168834.db2.gz BZRRWXGYGFTOBJ-UHFFFAOYSA-N -1 3 391.262 3.473 20 0 GGADHM CCN(C(=O)c1ccc(N(C)C)c(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385830 947172302 /nfs/dbraw/zinc/17/23/02/947172302.db2.gz SZIUEBUFOKTJOZ-UHFFFAOYSA-N -1 3 388.834 3.392 20 0 GGADHM CCN(C(=O)c1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385830 947172310 /nfs/dbraw/zinc/17/23/10/947172310.db2.gz SZIUEBUFOKTJOZ-UHFFFAOYSA-N -1 3 388.834 3.392 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CSCC(F)(F)F ZINC000825609895 947257420 /nfs/dbraw/zinc/25/74/20/947257420.db2.gz UKGMLFMEFLUINT-UHFFFAOYSA-N -1 3 396.778 3.120 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CSCC(F)(F)F ZINC000825609895 947257429 /nfs/dbraw/zinc/25/74/29/947257429.db2.gz UKGMLFMEFLUINT-UHFFFAOYSA-N -1 3 396.778 3.120 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000825625727 947262531 /nfs/dbraw/zinc/26/25/31/947262531.db2.gz CKLCZJSKLNKINM-CYBMUJFWSA-N -1 3 396.451 3.103 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000825625727 947262543 /nfs/dbraw/zinc/26/25/43/947262543.db2.gz CKLCZJSKLNKINM-CYBMUJFWSA-N -1 3 396.451 3.103 20 0 GGADHM CCOc1ccc(C2=CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000825639485 947267016 /nfs/dbraw/zinc/26/70/16/947267016.db2.gz XOVDLRXAEGLVGL-UHFFFAOYSA-N -1 3 387.447 3.207 20 0 GGADHM CCOc1ccc(C2=CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000825639485 947267028 /nfs/dbraw/zinc/26/70/28/947267028.db2.gz XOVDLRXAEGLVGL-UHFFFAOYSA-N -1 3 387.447 3.207 20 0 GGADHM CCOc1cccc(CNc2nccc(C)c2-c2nnn[n-]2)c1OC(F)F ZINC000825648770 947271860 /nfs/dbraw/zinc/27/18/60/947271860.db2.gz BFLUWOSYECMAEN-UHFFFAOYSA-N -1 3 376.367 3.182 20 0 GGADHM CCOc1cccc(CNc2nccc(C)c2-c2nn[n-]n2)c1OC(F)F ZINC000825648770 947271864 /nfs/dbraw/zinc/27/18/64/947271864.db2.gz BFLUWOSYECMAEN-UHFFFAOYSA-N -1 3 376.367 3.182 20 0 GGADHM CCc1n[nH]cc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825679746 947287367 /nfs/dbraw/zinc/28/73/67/947287367.db2.gz CYZQOTRTEDWPLS-ZDUSSCGKSA-N -1 3 387.447 3.310 20 0 GGADHM CCc1n[nH]cc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825679746 947287379 /nfs/dbraw/zinc/28/73/79/947287379.db2.gz CYZQOTRTEDWPLS-ZDUSSCGKSA-N -1 3 387.447 3.310 20 0 GGADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n2ncnc2n1 ZINC000825700309 947292181 /nfs/dbraw/zinc/29/21/81/947292181.db2.gz ADBQRTKDROBJPQ-UHFFFAOYSA-N -1 3 392.370 3.037 20 0 GGADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n2ncnc2n1 ZINC000825700309 947292189 /nfs/dbraw/zinc/29/21/89/947292189.db2.gz ADBQRTKDROBJPQ-UHFFFAOYSA-N -1 3 392.370 3.037 20 0 GGADHM CCc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1F ZINC000825711525 947298713 /nfs/dbraw/zinc/29/87/13/947298713.db2.gz DOQKOORCQVSPPX-SFHVURJKSA-N -1 3 396.426 3.174 20 0 GGADHM CCc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1F ZINC000825711525 947298727 /nfs/dbraw/zinc/29/87/27/947298727.db2.gz DOQKOORCQVSPPX-SFHVURJKSA-N -1 3 396.426 3.174 20 0 GGADHM CCc1noc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000825776363 947327581 /nfs/dbraw/zinc/32/75/81/947327581.db2.gz HCUNEXKOYPWLRP-CYBMUJFWSA-N -1 3 375.436 3.330 20 0 GGADHM CCc1noc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825776363 947327591 /nfs/dbraw/zinc/32/75/91/947327591.db2.gz HCUNEXKOYPWLRP-CYBMUJFWSA-N -1 3 375.436 3.330 20 0 GGADHM CCn1c(C)nnc1CN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825782606 947327669 /nfs/dbraw/zinc/32/76/69/947327669.db2.gz IURDVZRPOMFZCS-CQSZACIVSA-N -1 3 388.479 3.304 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000825787990 947331316 /nfs/dbraw/zinc/33/13/16/947331316.db2.gz MNHLRUWPDWHDBW-CQSZACIVSA-N -1 3 389.463 3.362 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000825787990 947331330 /nfs/dbraw/zinc/33/13/30/947331330.db2.gz MNHLRUWPDWHDBW-CQSZACIVSA-N -1 3 389.463 3.362 20 0 GGADHM CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825966111 947387223 /nfs/dbraw/zinc/38/72/23/947387223.db2.gz OLDLQMUPAFYPAR-UHFFFAOYSA-N -1 3 399.520 3.126 20 0 GGADHM CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825966111 947387233 /nfs/dbraw/zinc/38/72/33/947387233.db2.gz OLDLQMUPAFYPAR-UHFFFAOYSA-N -1 3 399.520 3.126 20 0 GGADHM CN(Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1F ZINC000825966210 947388561 /nfs/dbraw/zinc/38/85/61/947388561.db2.gz SVFXCQZIWIOYFH-UHFFFAOYSA-N -1 3 395.417 3.177 20 0 GGADHM CN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1F ZINC000825966210 947388573 /nfs/dbraw/zinc/38/85/73/947388573.db2.gz SVFXCQZIWIOYFH-UHFFFAOYSA-N -1 3 395.417 3.177 20 0 GGADHM CN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1F ZINC000825980698 947391331 /nfs/dbraw/zinc/39/13/31/947391331.db2.gz HBGNWVQCNALPRS-UHFFFAOYSA-N -1 3 377.427 3.038 20 0 GGADHM COC(=O)[C@@H](N[C@@H](c1ccc(F)c(C)c1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112190 947435622 /nfs/dbraw/zinc/43/56/22/947435622.db2.gz UPCIFVCAVUWKRC-MOPGFXCFSA-N -1 3 395.438 3.269 20 0 GGADHM COC(=O)[C@@H](N[C@@H](c1ccc(F)c(C)c1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112190 947435626 /nfs/dbraw/zinc/43/56/26/947435626.db2.gz UPCIFVCAVUWKRC-MOPGFXCFSA-N -1 3 395.438 3.269 20 0 GGADHM COC(=O)[C@@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117203 947438411 /nfs/dbraw/zinc/43/84/11/947438411.db2.gz JCWBEFKAOQLPFB-SZEUEKNRSA-N -1 3 392.415 3.036 20 0 GGADHM COC(=O)[C@@H](OC(=O)C(C)=Cc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117203 947438420 /nfs/dbraw/zinc/43/84/20/947438420.db2.gz JCWBEFKAOQLPFB-SZEUEKNRSA-N -1 3 392.415 3.036 20 0 GGADHM COC[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826148489 947477677 /nfs/dbraw/zinc/47/76/77/947477677.db2.gz KDGPIMILFKNTBX-HUUCEWRRSA-N -1 3 379.464 3.384 20 0 GGADHM COC[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826148489 947477683 /nfs/dbraw/zinc/47/76/83/947477683.db2.gz KDGPIMILFKNTBX-HUUCEWRRSA-N -1 3 379.464 3.384 20 0 GGADHM COCCC[C@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826155249 947489127 /nfs/dbraw/zinc/48/91/27/947489127.db2.gz KOSLNFFDNGKDLX-ZDUSSCGKSA-N -1 3 385.493 3.274 20 0 GGADHM COCCCN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826156074 947492340 /nfs/dbraw/zinc/49/23/40/947492340.db2.gz OJYLTMNMEXUVAZ-OAHLLOKOSA-N -1 3 394.479 3.273 20 0 GGADHM COCCCN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826156074 947492350 /nfs/dbraw/zinc/49/23/50/947492350.db2.gz OJYLTMNMEXUVAZ-OAHLLOKOSA-N -1 3 394.479 3.273 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000826162343 947511290 /nfs/dbraw/zinc/51/12/90/947511290.db2.gz XQOXLVDGWMYCKV-NSHDSACASA-N -1 3 375.379 3.343 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000826162343 947511301 /nfs/dbraw/zinc/51/13/01/947511301.db2.gz XQOXLVDGWMYCKV-NSHDSACASA-N -1 3 375.379 3.343 20 0 GGADHM COCc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826165102 947519819 /nfs/dbraw/zinc/51/98/19/947519819.db2.gz FRJGXOYZKXQFGF-UHFFFAOYSA-N -1 3 398.473 3.450 20 0 GGADHM COCc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826165102 947519829 /nfs/dbraw/zinc/51/98/29/947519829.db2.gz FRJGXOYZKXQFGF-UHFFFAOYSA-N -1 3 398.473 3.450 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCOc1cccc(Cl)c1 ZINC000826171154 947534583 /nfs/dbraw/zinc/53/45/83/947534583.db2.gz FFBNYDVVTWBIFM-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCOc1cccc(Cl)c1 ZINC000826171154 947534591 /nfs/dbraw/zinc/53/45/91/947534591.db2.gz FFBNYDVVTWBIFM-UHFFFAOYSA-N -1 3 388.811 3.041 20 0 GGADHM COc1cc(Br)ccc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826176760 947547540 /nfs/dbraw/zinc/54/75/40/947547540.db2.gz CBAWUXFQCLVDNT-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1cc(Br)ccc1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826176760 947547553 /nfs/dbraw/zinc/54/75/53/947547553.db2.gz CBAWUXFQCLVDNT-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM C[C@H](C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1)N1CCc2ccccc21 ZINC001573608075 947556951 /nfs/dbraw/zinc/55/69/51/947556951.db2.gz VTCCWPCZEQGXPV-OAHLLOKOSA-N -1 3 388.475 3.203 20 0 GGADHM C[C@H](C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1)N1CCc2ccccc21 ZINC001573608075 947556955 /nfs/dbraw/zinc/55/69/55/947556955.db2.gz VTCCWPCZEQGXPV-OAHLLOKOSA-N -1 3 388.475 3.203 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826186353 947572051 /nfs/dbraw/zinc/57/20/51/947572051.db2.gz OQZDIQYXZMKOSO-UHFFFAOYSA-N -1 3 381.440 3.138 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000826186353 947572056 /nfs/dbraw/zinc/57/20/56/947572056.db2.gz OQZDIQYXZMKOSO-UHFFFAOYSA-N -1 3 381.440 3.138 20 0 GGADHM COc1ccc(COC(=O)[C@H]2CCc3c2cccc3Cl)cc1-c1nnn[n-]1 ZINC000826204940 947604612 /nfs/dbraw/zinc/60/46/12/947604612.db2.gz DQXXSGFAXGIRNT-AWEZNQCLSA-N -1 3 384.823 3.302 20 0 GGADHM COc1ccc(COC(=O)[C@H]2CCc3c2cccc3Cl)cc1-c1nn[n-]n1 ZINC000826204940 947604622 /nfs/dbraw/zinc/60/46/22/947604622.db2.gz DQXXSGFAXGIRNT-AWEZNQCLSA-N -1 3 384.823 3.302 20 0 GGADHM COc1cccc(C=C2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)c1 ZINC000826215238 947629177 /nfs/dbraw/zinc/62/91/77/947629177.db2.gz JWGXYJBHIRAKGC-UHFFFAOYSA-N -1 3 387.447 3.207 20 0 GGADHM COc1cccc(C=C2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)c1 ZINC000826215238 947629184 /nfs/dbraw/zinc/62/91/84/947629184.db2.gz JWGXYJBHIRAKGC-UHFFFAOYSA-N -1 3 387.447 3.207 20 0 GGADHM COc1cccc([C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)c2ccncc2)c1 ZINC000826215450 947631801 /nfs/dbraw/zinc/63/18/01/947631801.db2.gz PEVTZWXEYVRGBK-KRWDZBQOSA-N -1 3 393.428 3.278 20 0 GGADHM COc1cccc([C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccncc2)c1 ZINC000826215450 947631814 /nfs/dbraw/zinc/63/18/14/947631814.db2.gz PEVTZWXEYVRGBK-KRWDZBQOSA-N -1 3 393.428 3.278 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)c21 ZINC000826217436 947638785 /nfs/dbraw/zinc/63/87/85/947638785.db2.gz LWXFRAHDVLTPPD-UHFFFAOYSA-N -1 3 394.460 3.088 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)c21 ZINC000826217436 947638789 /nfs/dbraw/zinc/63/87/89/947638789.db2.gz LWXFRAHDVLTPPD-UHFFFAOYSA-N -1 3 394.460 3.088 20 0 GGADHM COc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826220034 947651094 /nfs/dbraw/zinc/65/10/94/947651094.db2.gz AASNXPDSDFVUDR-UHFFFAOYSA-N -1 3 381.827 3.327 20 0 GGADHM COc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826220034 947651107 /nfs/dbraw/zinc/65/11/07/947651107.db2.gz AASNXPDSDFVUDR-UHFFFAOYSA-N -1 3 381.827 3.327 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1cccs1 ZINC001573363904 947715627 /nfs/dbraw/zinc/71/56/27/947715627.db2.gz OHKJMOOVLUJEEH-LWMMSDEHSA-N -1 3 380.477 3.490 20 0 GGADHM CC(=CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1cccs1 ZINC001573363904 947715633 /nfs/dbraw/zinc/71/56/33/947715633.db2.gz OHKJMOOVLUJEEH-LWMMSDEHSA-N -1 3 380.477 3.490 20 0 GGADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001573364136 947720087 /nfs/dbraw/zinc/72/00/87/947720087.db2.gz GONXYCJBSCPOOA-YRNVUSSQSA-N -1 3 396.838 3.030 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826244795 947722171 /nfs/dbraw/zinc/72/21/71/947722171.db2.gz DHGHSHCMEXCSIH-KRWDZBQOSA-N -1 3 379.468 3.273 20 0 GGADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826244795 947722174 /nfs/dbraw/zinc/72/21/74/947722174.db2.gz DHGHSHCMEXCSIH-KRWDZBQOSA-N -1 3 379.468 3.273 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001573364956 947726006 /nfs/dbraw/zinc/72/60/06/947726006.db2.gz KONKPQIMPSMOHT-NTMALXAHSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001573364956 947726013 /nfs/dbraw/zinc/72/60/13/947726013.db2.gz KONKPQIMPSMOHT-NTMALXAHSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1ccccn1)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001573365560 947731411 /nfs/dbraw/zinc/73/14/11/947731411.db2.gz MMMAWEHTXNRVAX-MDZDMXLPSA-N -1 3 390.325 3.202 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001573365590 947732166 /nfs/dbraw/zinc/73/21/66/947732166.db2.gz MQHLFXDSBUSTRP-JXMROGBWSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=Cc1cccnc1)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001573365590 947732177 /nfs/dbraw/zinc/73/21/77/947732177.db2.gz MQHLFXDSBUSTRP-JXMROGBWSA-N -1 3 385.225 3.066 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(Cl)c1 ZINC001573365842 947735245 /nfs/dbraw/zinc/73/52/45/947735245.db2.gz UNLXNLFCAZFDBM-IKPBFSQCSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(Cl)c1 ZINC001573365842 947735257 /nfs/dbraw/zinc/73/52/57/947735257.db2.gz UNLXNLFCAZFDBM-IKPBFSQCSA-N -1 3 379.851 3.207 20 0 GGADHM CC(=CC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1ccco1 ZINC001573366736 947745540 /nfs/dbraw/zinc/74/55/40/947745540.db2.gz XUUFAXBDWGCDOB-HQPKTYMTSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=CC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1ccco1 ZINC001573366736 947745556 /nfs/dbraw/zinc/74/55/56/947745556.db2.gz XUUFAXBDWGCDOB-HQPKTYMTSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=CC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1ccco1 ZINC001573366741 947745811 /nfs/dbraw/zinc/74/58/11/947745811.db2.gz XUUFAXBDWGCDOB-WKTRQSJXSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=CC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1ccco1 ZINC001573366741 947745821 /nfs/dbraw/zinc/74/58/21/947745821.db2.gz XUUFAXBDWGCDOB-WKTRQSJXSA-N -1 3 377.326 3.283 20 0 GGADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573366916 947749659 /nfs/dbraw/zinc/74/96/59/947749659.db2.gz VFTDDEIWJXMLET-UHFFFAOYSA-N -1 3 394.435 3.388 20 0 GGADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573366916 947749667 /nfs/dbraw/zinc/74/96/67/947749667.db2.gz VFTDDEIWJXMLET-UHFFFAOYSA-N -1 3 394.435 3.388 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)ccc1F ZINC000826260294 947752715 /nfs/dbraw/zinc/75/27/15/947752715.db2.gz GSONPVBHCMJGJZ-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)ccc1F ZINC000826260294 947752727 /nfs/dbraw/zinc/75/27/27/947752727.db2.gz GSONPVBHCMJGJZ-UHFFFAOYSA-N -1 3 397.801 3.406 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)nn1C1CCCCC1 ZINC000826261774 947757552 /nfs/dbraw/zinc/75/75/52/947757552.db2.gz RHWVMLIYAWYKIR-UHFFFAOYSA-N -1 3 384.415 3.373 20 0 GGADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)nn1C1CCCCC1 ZINC000826261774 947757560 /nfs/dbraw/zinc/75/75/60/947757560.db2.gz RHWVMLIYAWYKIR-UHFFFAOYSA-N -1 3 384.415 3.373 20 0 GGADHM Cc1cc(F)ccc1COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826268544 947775722 /nfs/dbraw/zinc/77/57/22/947775722.db2.gz BUSWTNSIVBWSTG-GOSISDBHSA-N -1 3 381.411 3.026 20 0 GGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)nn1-c1cccc(F)c1 ZINC000826269378 947777768 /nfs/dbraw/zinc/77/77/68/947777768.db2.gz JTFCPGNGEFSJKU-KTKRTIGZSA-N -1 3 389.394 3.152 20 0 GGADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)nn1-c1cccc(F)c1 ZINC000826269378 947777773 /nfs/dbraw/zinc/77/77/73/947777773.db2.gz JTFCPGNGEFSJKU-KTKRTIGZSA-N -1 3 389.394 3.152 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000826274821 947795419 /nfs/dbraw/zinc/79/54/19/947795419.db2.gz GFABDTMCYGYKCZ-OAHLLOKOSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000826274821 947795427 /nfs/dbraw/zinc/79/54/27/947795427.db2.gz GFABDTMCYGYKCZ-OAHLLOKOSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)s1 ZINC000826282455 947812652 /nfs/dbraw/zinc/81/26/52/947812652.db2.gz PELHSDXPPVGVHZ-UHFFFAOYSA-N -1 3 385.840 3.328 20 0 GGADHM Cc1ccc([C@H]2CCN(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826286357 947828054 /nfs/dbraw/zinc/82/80/54/947828054.db2.gz ZHKGQQDZDYBRIV-BEFAXECRSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1ccc([C@H]2CCN(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826286357 947828059 /nfs/dbraw/zinc/82/80/59/947828059.db2.gz ZHKGQQDZDYBRIV-BEFAXECRSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826288313 947839512 /nfs/dbraw/zinc/83/95/12/947839512.db2.gz ATNJCBLTDOXZTM-KRWDZBQOSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(Cl)c(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826288313 947839515 /nfs/dbraw/zinc/83/95/15/947839515.db2.gz ATNJCBLTDOXZTM-KRWDZBQOSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1ccc(OCCOc2ccccc2-c2nnn[n-]2)c(C(=O)NCC(C)C)c1 ZINC000826292212 947848566 /nfs/dbraw/zinc/84/85/66/947848566.db2.gz LROPGVILGWDULU-UHFFFAOYSA-N -1 3 395.463 3.019 20 0 GGADHM Cc1ccc(OCCOc2ccccc2-c2nn[n-]n2)c(C(=O)NCC(C)C)c1 ZINC000826292212 947848574 /nfs/dbraw/zinc/84/85/74/947848574.db2.gz LROPGVILGWDULU-UHFFFAOYSA-N -1 3 395.463 3.019 20 0 GGADHM Cc1cccc(O)c1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826300376 947872017 /nfs/dbraw/zinc/87/20/17/947872017.db2.gz SFKUDORCVMTEAT-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1cccc(O)c1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826300376 947872023 /nfs/dbraw/zinc/87/20/23/947872023.db2.gz SFKUDORCVMTEAT-UHFFFAOYSA-N -1 3 388.387 3.320 20 0 GGADHM Cc1ccnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nnn[n-]1 ZINC000826310333 947895088 /nfs/dbraw/zinc/89/50/88/947895088.db2.gz SGLOFIGGQVJYHP-JTQLQIEISA-N -1 3 395.414 3.429 20 0 GGADHM Cc1ccnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nn[n-]n1 ZINC000826310333 947895097 /nfs/dbraw/zinc/89/50/97/947895097.db2.gz SGLOFIGGQVJYHP-JTQLQIEISA-N -1 3 395.414 3.429 20 0 GGADHM Cc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)c1-c1nnn[n-]1 ZINC000826310570 947896886 /nfs/dbraw/zinc/89/68/86/947896886.db2.gz ZTDJNZRHMIFZJF-UHFFFAOYSA-N -1 3 388.435 3.004 20 0 GGADHM Cc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)c1-c1nn[n-]n1 ZINC000826310570 947896897 /nfs/dbraw/zinc/89/68/97/947896897.db2.gz ZTDJNZRHMIFZJF-UHFFFAOYSA-N -1 3 388.435 3.004 20 0 GGADHM Cc1ccnc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1-c1nnn[n-]1 ZINC000826311812 947904974 /nfs/dbraw/zinc/90/49/74/947904974.db2.gz OHXWEITXAXRYDV-AWEZNQCLSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccnc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1-c1nn[n-]n1 ZINC000826311812 947904978 /nfs/dbraw/zinc/90/49/78/947904978.db2.gz OHXWEITXAXRYDV-AWEZNQCLSA-N -1 3 390.369 3.167 20 0 GGADHM Cc1ccnc(NC2CCN(c3nc4ccccc4s3)CC2)c1-c1nnn[n-]1 ZINC000826312676 947907648 /nfs/dbraw/zinc/90/76/48/947907648.db2.gz LJINCWACCCSAPV-UHFFFAOYSA-N -1 3 392.492 3.261 20 0 GGADHM Cc1ccnc(NC2CCN(c3nc4ccccc4s3)CC2)c1-c1nn[n-]n1 ZINC000826312676 947907654 /nfs/dbraw/zinc/90/76/54/947907654.db2.gz LJINCWACCCSAPV-UHFFFAOYSA-N -1 3 392.492 3.261 20 0 GGADHM Cc1cncc(C(=O)OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3C)CC2)c1 ZINC000826318868 947931362 /nfs/dbraw/zinc/93/13/62/947931362.db2.gz DFMQXVLADCFOBZ-UHFFFAOYSA-N -1 3 392.463 3.459 20 0 GGADHM Cc1nc2ncnn2c(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000826329467 947958544 /nfs/dbraw/zinc/95/85/44/947958544.db2.gz FGFIZDWTCTUHAV-UHFFFAOYSA-N -1 3 392.370 3.091 20 0 GGADHM Cc1nc2ncnn2c(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000826329467 947958551 /nfs/dbraw/zinc/95/85/51/947958551.db2.gz FGFIZDWTCTUHAV-UHFFFAOYSA-N -1 3 392.370 3.091 20 0 GGADHM Cc1nn(-c2ccccc2)c(CN(C)Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826332436 947964583 /nfs/dbraw/zinc/96/45/83/947964583.db2.gz UKLUJHKPAAQRIW-UHFFFAOYSA-N -1 3 377.427 3.132 20 0 GGADHM Cc1nnc2ccc(N[C@@H](C)c3ccc(-c4cccc(-c5nnn[n-]5)c4)cc3)nn12 ZINC000826337288 947971926 /nfs/dbraw/zinc/97/19/26/947971926.db2.gz JETLGWVMKYVWQD-ZDUSSCGKSA-N -1 3 397.446 3.453 20 0 GGADHM Cc1nnc2ccc(N[C@@H](C)c3ccc(-c4cccc(-c5nn[n-]n5)c4)cc3)nn12 ZINC000826337288 947971940 /nfs/dbraw/zinc/97/19/40/947971940.db2.gz JETLGWVMKYVWQD-ZDUSSCGKSA-N -1 3 397.446 3.453 20 0 GGADHM C[C@@H](C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656149 947986296 /nfs/dbraw/zinc/98/62/96/947986296.db2.gz CGWHIGYAHOANTI-MEBBXXQBSA-N -1 3 391.353 3.096 20 0 GGADHM C[C@@H](C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F)c1cccc(O)c1 ZINC001573656149 947986306 /nfs/dbraw/zinc/98/63/06/947986306.db2.gz CGWHIGYAHOANTI-MEBBXXQBSA-N -1 3 391.353 3.096 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1NCC1CCCCC1 ZINC000826358166 948112965 /nfs/dbraw/zinc/11/29/65/948112965.db2.gz IHSWRKSZAWICTK-UHFFFAOYSA-N -1 3 379.468 3.450 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1NCC1CCCCC1 ZINC000826358166 948112968 /nfs/dbraw/zinc/11/29/68/948112968.db2.gz IHSWRKSZAWICTK-UHFFFAOYSA-N -1 3 379.468 3.450 20 0 GGADHM Cn1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(-c2ccccc2)n1 ZINC000826361857 948133481 /nfs/dbraw/zinc/13/34/81/948133481.db2.gz SFSFTHZJHJXYFF-UHFFFAOYSA-N -1 3 382.431 3.428 20 0 GGADHM Cn1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(-c2ccccc2)n1 ZINC000826361857 948133485 /nfs/dbraw/zinc/13/34/85/948133485.db2.gz SFSFTHZJHJXYFF-UHFFFAOYSA-N -1 3 382.431 3.428 20 0 GGADHM C[C@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc2ccccc2c1 ZINC001573677357 948136132 /nfs/dbraw/zinc/13/61/32/948136132.db2.gz CSQFIOJZXJENST-QKKBWIMNSA-N -1 3 383.455 3.407 20 0 GGADHM C[C@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc2ccccc2c1 ZINC001573677357 948136138 /nfs/dbraw/zinc/13/61/38/948136138.db2.gz CSQFIOJZXJENST-QKKBWIMNSA-N -1 3 383.455 3.407 20 0 GGADHM FC(F)(F)c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826368438 948147865 /nfs/dbraw/zinc/14/78/65/948147865.db2.gz PPDCXJNIBMOSKJ-INIZCTEOSA-N -1 3 375.354 3.463 20 0 GGADHM Fc1cc(F)c(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826372122 948156471 /nfs/dbraw/zinc/15/64/71/948156471.db2.gz IRUIXRVNBKDAFT-UHFFFAOYSA-N -1 3 389.381 3.327 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](Cc4ccncc4)C3)c2c1 ZINC000826373034 948158679 /nfs/dbraw/zinc/15/86/79/948158679.db2.gz XIOFSWOXHPFSPY-CYBMUJFWSA-N -1 3 393.401 3.157 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](Cc4ccncc4)C3)c2c1 ZINC000826373034 948158686 /nfs/dbraw/zinc/15/86/86/948158686.db2.gz XIOFSWOXHPFSPY-CYBMUJFWSA-N -1 3 393.401 3.157 20 0 GGADHM Fc1cccc([C@@H](Nc2nc3ccccn3c2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826376894 948166621 /nfs/dbraw/zinc/16/66/21/948166621.db2.gz XFIBSDNNGNGYIE-QGZVFWFLSA-N -1 3 386.394 3.250 20 0 GGADHM Fc1cccc([C@@H](Nc2nc3ccccn3c2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826376894 948166625 /nfs/dbraw/zinc/16/66/25/948166625.db2.gz XFIBSDNNGNGYIE-QGZVFWFLSA-N -1 3 386.394 3.250 20 0 GGADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826404077 948231079 /nfs/dbraw/zinc/23/10/79/948231079.db2.gz NNSLUZJREHHKGN-UHFFFAOYSA-N -1 3 385.365 3.381 20 0 GGADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826404077 948231086 /nfs/dbraw/zinc/23/10/86/948231086.db2.gz NNSLUZJREHHKGN-UHFFFAOYSA-N -1 3 385.365 3.381 20 0 GGADHM O=C(CCCC(F)(F)F)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826405285 948232762 /nfs/dbraw/zinc/23/27/62/948232762.db2.gz ALYAFEYQMMXXHE-UHFFFAOYSA-N -1 3 399.764 3.377 20 0 GGADHM O=C(CCCC(F)(F)F)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826405285 948232773 /nfs/dbraw/zinc/23/27/73/948232773.db2.gz ALYAFEYQMMXXHE-UHFFFAOYSA-N -1 3 399.764 3.377 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NCCCc1ccccc1 ZINC000826421075 948264813 /nfs/dbraw/zinc/26/48/13/948264813.db2.gz QNHROJJVFUXKLG-UHFFFAOYSA-N -1 3 387.896 3.361 20 0 GGADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NCCCc1ccccc1 ZINC000826421075 948264819 /nfs/dbraw/zinc/26/48/19/948264819.db2.gz QNHROJJVFUXKLG-UHFFFAOYSA-N -1 3 387.896 3.361 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cncc(Cl)c1Cl ZINC000826421248 948267943 /nfs/dbraw/zinc/26/79/43/948267943.db2.gz YVINMPWCYJCPFI-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cncc(Cl)c1Cl ZINC000826421248 948267951 /nfs/dbraw/zinc/26/79/51/948267951.db2.gz YVINMPWCYJCPFI-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826422227 948269331 /nfs/dbraw/zinc/26/93/31/948269331.db2.gz RDCDNDSXXMVHRL-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826422227 948269342 /nfs/dbraw/zinc/26/93/42/948269342.db2.gz RDCDNDSXXMVHRL-MRXNPFEDSA-N -1 3 383.839 3.093 20 0 GGADHM O=C(Cc1cccc(F)c1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826423578 948271409 /nfs/dbraw/zinc/27/14/09/948271409.db2.gz WGIWXTBXYIVNPL-UHFFFAOYSA-N -1 3 397.801 3.026 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826440902 948300700 /nfs/dbraw/zinc/30/07/00/948300700.db2.gz FKJYSEDTODCFKW-INIZCTEOSA-N -1 3 398.854 3.233 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826440902 948300710 /nfs/dbraw/zinc/30/07/10/948300710.db2.gz FKJYSEDTODCFKW-INIZCTEOSA-N -1 3 398.854 3.233 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1coc(-c2ccccc2Cl)n1 ZINC000826442835 948304567 /nfs/dbraw/zinc/30/45/67/948304567.db2.gz MQCBHFAIRJWQOY-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1coc(-c2ccccc2Cl)n1 ZINC000826442835 948304578 /nfs/dbraw/zinc/30/45/78/948304578.db2.gz MQCBHFAIRJWQOY-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CC=C(c2ccccc2)C1 ZINC000826451548 948317547 /nfs/dbraw/zinc/31/75/47/948317547.db2.gz LHMJGWGBMLLBKW-UHFFFAOYSA-N -1 3 398.373 3.399 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CC=C(c2ccccc2)C1 ZINC000826451548 948317557 /nfs/dbraw/zinc/31/75/57/948317557.db2.gz LHMJGWGBMLLBKW-UHFFFAOYSA-N -1 3 398.373 3.399 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@H]1CCCCS1 ZINC000826455528 948329207 /nfs/dbraw/zinc/32/92/07/948329207.db2.gz SCASZCLEIPAEEK-OAHLLOKOSA-N -1 3 382.449 3.278 20 0 GGADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)N1CCC[C@@H]1C1CC1 ZINC000826457807 948333741 /nfs/dbraw/zinc/33/37/41/948333741.db2.gz QRVGXOXCPDNFDD-CQSZACIVSA-N -1 3 398.858 3.112 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1ccccc1F ZINC000826458569 948342011 /nfs/dbraw/zinc/34/20/11/948342011.db2.gz VRPUDLWERXIKKB-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1ccccc1F ZINC000826458569 948342014 /nfs/dbraw/zinc/34/20/14/948342014.db2.gz VRPUDLWERXIKKB-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1cnc2c(c1)CCCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826459639 948342856 /nfs/dbraw/zinc/34/28/56/948342856.db2.gz RZAGFBLHQVHYKM-UHFFFAOYSA-N -1 3 389.463 3.337 20 0 GGADHM O=C(Nc1cnc2c(c1)CCCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826459639 948342864 /nfs/dbraw/zinc/34/28/64/948342864.db2.gz RZAGFBLHQVHYKM-UHFFFAOYSA-N -1 3 389.463 3.337 20 0 GGADHM O=C(OC(c1ccccc1F)c1ccccc1F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462162 948349702 /nfs/dbraw/zinc/34/97/02/948349702.db2.gz PYIZGEIJLSTDON-UHFFFAOYSA-N -1 3 381.342 3.419 20 0 GGADHM O=C(OC(c1ccccc1F)c1ccccc1F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462162 948349710 /nfs/dbraw/zinc/34/97/10/948349710.db2.gz PYIZGEIJLSTDON-UHFFFAOYSA-N -1 3 381.342 3.419 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826472596 948368959 /nfs/dbraw/zinc/36/89/59/948368959.db2.gz PLISEIWEPABDPN-XVJNWHFHSA-N -1 3 380.477 3.421 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826472596 948368968 /nfs/dbraw/zinc/36/89/68/948368968.db2.gz PLISEIWEPABDPN-XVJNWHFHSA-N -1 3 380.477 3.421 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC(CCCO)CC1 ZINC000826474103 948373209 /nfs/dbraw/zinc/37/32/09/948373209.db2.gz AHUJEKSVSFJCFU-UHFFFAOYSA-N -1 3 391.475 3.158 20 0 GGADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC(CCCO)CC1 ZINC000826474103 948373213 /nfs/dbraw/zinc/37/32/13/948373213.db2.gz AHUJEKSVSFJCFU-UHFFFAOYSA-N -1 3 391.475 3.158 20 0 GGADHM O[C@@H](CN[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503230 948421952 /nfs/dbraw/zinc/42/19/52/948421952.db2.gz TYDKMPMRKDINOX-DZGCQCFKSA-N -1 3 399.323 3.072 20 0 GGADHM O[C@@H](CN[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503230 948421957 /nfs/dbraw/zinc/42/19/57/948421957.db2.gz TYDKMPMRKDINOX-DZGCQCFKSA-N -1 3 399.323 3.072 20 0 GGADHM O[C@@]1(Cc2cccc(Cl)c2)CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000826506027 948424773 /nfs/dbraw/zinc/42/47/73/948424773.db2.gz LFTYGNGBODMRCZ-GOSISDBHSA-N -1 3 390.274 3.357 20 0 GGADHM O[C@@]1(Cc2cccc(Cl)c2)CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000826506027 948424778 /nfs/dbraw/zinc/42/47/78/948424778.db2.gz LFTYGNGBODMRCZ-GOSISDBHSA-N -1 3 390.274 3.357 20 0 GGADHM c1csc(-c2cnc(CN3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)o2)c1 ZINC000826513457 948437077 /nfs/dbraw/zinc/43/70/77/948437077.db2.gz LXSRDWBXMIUKMF-MRXNPFEDSA-N -1 3 394.460 3.157 20 0 GGADHM c1csc(-c2cnc(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)o2)c1 ZINC000826513457 948437081 /nfs/dbraw/zinc/43/70/81/948437081.db2.gz LXSRDWBXMIUKMF-MRXNPFEDSA-N -1 3 394.460 3.157 20 0 GGADHM c1cn(CCCn2c3ccccc3nc2NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826516280 948441798 /nfs/dbraw/zinc/44/17/98/948441798.db2.gz DZIRYXFHTLAFLU-UHFFFAOYSA-N -1 3 399.462 3.115 20 0 GGADHM c1cc2nc(N[C@H]3CCOC4(CCSCC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518106 948445806 /nfs/dbraw/zinc/44/58/06/948445806.db2.gz BYJNDEIZTDCASQ-HNNXBMFYSA-N -1 3 382.493 3.272 20 0 GGADHM c1cc2nc(N[C@H]3CCOC4(CCSCC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518106 948445811 /nfs/dbraw/zinc/44/58/11/948445811.db2.gz BYJNDEIZTDCASQ-HNNXBMFYSA-N -1 3 382.493 3.272 20 0 GGADHM c1cn(CCCC2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cn1 ZINC000826523159 948457327 /nfs/dbraw/zinc/45/73/27/948457327.db2.gz CQJQNWXWOFHRAP-UHFFFAOYSA-N -1 3 388.479 3.308 20 0 GGADHM c1cn(CCCC2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cn1 ZINC000826523159 948457334 /nfs/dbraw/zinc/45/73/34/948457334.db2.gz CQJQNWXWOFHRAP-UHFFFAOYSA-N -1 3 388.479 3.308 20 0 GGADHM CCC[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001212163512 948494055 /nfs/dbraw/zinc/49/40/55/948494055.db2.gz YMXVFDULYJMOKN-STQMWFEESA-N -1 3 397.932 3.405 20 0 GGADHM CCC[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001212163512 948494063 /nfs/dbraw/zinc/49/40/63/948494063.db2.gz YMXVFDULYJMOKN-STQMWFEESA-N -1 3 397.932 3.405 20 0 GGADHM CCC[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001212163511 948494414 /nfs/dbraw/zinc/49/44/14/948494414.db2.gz YMXVFDULYJMOKN-QWHCGFSZSA-N -1 3 397.932 3.405 20 0 GGADHM CCC[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001212163511 948494419 /nfs/dbraw/zinc/49/44/19/948494419.db2.gz YMXVFDULYJMOKN-QWHCGFSZSA-N -1 3 397.932 3.405 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cnc(Cc2ccc(F)cc2)s1 ZINC001275483024 948496578 /nfs/dbraw/zinc/49/65/78/948496578.db2.gz GBBWNRUWHOIXGF-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cnc(Cc2ccc(F)cc2)s1 ZINC001275483024 948496581 /nfs/dbraw/zinc/49/65/81/948496581.db2.gz GBBWNRUWHOIXGF-UHFFFAOYSA-N -1 3 398.398 3.445 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528093416 948541614 /nfs/dbraw/zinc/54/16/14/948541614.db2.gz IYCKVOJFOGDROG-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528093416 948541620 /nfs/dbraw/zinc/54/16/20/948541620.db2.gz IYCKVOJFOGDROG-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Br)cc1F ZINC001528506991 948544217 /nfs/dbraw/zinc/54/42/17/948544217.db2.gz UVSHZGVCKNDQJW-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Br)cc1F ZINC001528506991 948544224 /nfs/dbraw/zinc/54/42/24/948544224.db2.gz UVSHZGVCKNDQJW-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccn1Cc1ccccc1 ZINC001535492068 948546772 /nfs/dbraw/zinc/54/67/72/948546772.db2.gz KJOUFPFCYPEABJ-UHFFFAOYSA-N -1 3 376.395 3.416 20 0 GGADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccn1Cc1ccccc1 ZINC001535492068 948546778 /nfs/dbraw/zinc/54/67/78/948546778.db2.gz KJOUFPFCYPEABJ-UHFFFAOYSA-N -1 3 376.395 3.416 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(C(=O)OC(C)(C)C)c1 ZINC001544666440 948553768 /nfs/dbraw/zinc/55/37/68/948553768.db2.gz XQVAMVBXIWSGGW-UHFFFAOYSA-N -1 3 379.420 3.383 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(C(=O)OC(C)(C)C)c1 ZINC001544666440 948553774 /nfs/dbraw/zinc/55/37/74/948553774.db2.gz XQVAMVBXIWSGGW-UHFFFAOYSA-N -1 3 379.420 3.383 20 0 GGADHM Cc1cccnc1Oc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001542944801 948553825 /nfs/dbraw/zinc/55/38/25/948553825.db2.gz LRCWNFYYEDBCCY-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM Cc1cccnc1Oc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001542944801 948553831 /nfs/dbraw/zinc/55/38/31/948553831.db2.gz LRCWNFYYEDBCCY-UHFFFAOYSA-N -1 3 386.415 3.292 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC001573731734 948594225 /nfs/dbraw/zinc/59/42/25/948594225.db2.gz YEDWGJWRCHGZAJ-JTQLQIEISA-N -1 3 393.344 3.445 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC001573731734 948594230 /nfs/dbraw/zinc/59/42/30/948594230.db2.gz YEDWGJWRCHGZAJ-JTQLQIEISA-N -1 3 393.344 3.445 20 0 GGADHM CC(C)c1ccc(OCC(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001574416636 948754929 /nfs/dbraw/zinc/75/49/29/948754929.db2.gz ACYVABVXCLRPHJ-UHFFFAOYSA-N -1 3 379.464 3.420 20 0 GGADHM CC(C)c1ccc(OCC(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001574416636 948754937 /nfs/dbraw/zinc/75/49/37/948754937.db2.gz ACYVABVXCLRPHJ-UHFFFAOYSA-N -1 3 379.464 3.420 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cnccn1 ZINC001573755143 948755728 /nfs/dbraw/zinc/75/57/28/948755728.db2.gz BBSUOEAYYXURBB-CYBMUJFWSA-N -1 3 387.403 3.191 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cnccn1 ZINC001573755143 948755743 /nfs/dbraw/zinc/75/57/43/948755743.db2.gz BBSUOEAYYXURBB-CYBMUJFWSA-N -1 3 387.403 3.191 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1nc2ccccc2[nH]1 ZINC001574078517 948757944 /nfs/dbraw/zinc/75/79/44/948757944.db2.gz DJXCGUIPSZSPLY-MRXNPFEDSA-N -1 3 379.399 3.009 20 0 GGADHM CC(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1nc2ccccc2[nH]1 ZINC001574078517 948757954 /nfs/dbraw/zinc/75/79/54/948757954.db2.gz DJXCGUIPSZSPLY-MRXNPFEDSA-N -1 3 379.399 3.009 20 0 GGADHM CC(C)c1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC001574416831 948762377 /nfs/dbraw/zinc/76/23/77/948762377.db2.gz JSPDULRXMBLTNN-UHFFFAOYSA-N -1 3 394.454 3.092 20 0 GGADHM CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC001574417060 948763378 /nfs/dbraw/zinc/76/33/78/948763378.db2.gz KKHVBSYOGMXRGX-LJQANCHMSA-N -1 3 397.504 3.346 20 0 GGADHM CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC001574417060 948763392 /nfs/dbraw/zinc/76/33/92/948763392.db2.gz KKHVBSYOGMXRGX-LJQANCHMSA-N -1 3 397.504 3.346 20 0 GGADHM CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(C=O)c1 ZINC001574417480 948770252 /nfs/dbraw/zinc/77/02/52/948770252.db2.gz OPXHFPYKRQOOGF-UHFFFAOYSA-N -1 3 399.838 3.474 20 0 GGADHM CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c(C=O)c1 ZINC001574417480 948770265 /nfs/dbraw/zinc/77/02/65/948770265.db2.gz OPXHFPYKRQOOGF-UHFFFAOYSA-N -1 3 399.838 3.474 20 0 GGADHM CC(C)c1ccc2c(c1)CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)C2 ZINC001574418514 948777820 /nfs/dbraw/zinc/77/78/20/948777820.db2.gz XPLITCIEGJWGOZ-UHFFFAOYSA-N -1 3 382.493 3.048 20 0 GGADHM CC(C)c1ccc2c(c1)CCN(CC(=O)Nc1sccc1-c1nn[n-]n1)C2 ZINC001574418514 948777830 /nfs/dbraw/zinc/77/78/30/948777830.db2.gz XPLITCIEGJWGOZ-UHFFFAOYSA-N -1 3 382.493 3.048 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC001573755789 948782205 /nfs/dbraw/zinc/78/22/05/948782205.db2.gz IJUHJTJOZCKETE-DYVFJYSZSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC001573755789 948782221 /nfs/dbraw/zinc/78/22/21/948782221.db2.gz IJUHJTJOZCKETE-DYVFJYSZSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCCO1 ZINC001573755836 948786047 /nfs/dbraw/zinc/78/60/47/948786047.db2.gz JIHBPXVGMMKZAO-AUUYWEPGSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1CCCO1 ZINC001573755836 948786060 /nfs/dbraw/zinc/78/60/60/948786060.db2.gz JIHBPXVGMMKZAO-AUUYWEPGSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CCCO1 ZINC001573755839 948787853 /nfs/dbraw/zinc/78/78/53/948787853.db2.gz JIHBPXVGMMKZAO-LIRRHRJNSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1CCCO1 ZINC001573755839 948787860 /nfs/dbraw/zinc/78/78/60/948787860.db2.gz JIHBPXVGMMKZAO-LIRRHRJNSA-N -1 3 393.447 3.199 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2c1cccc2F ZINC001573756586 948819949 /nfs/dbraw/zinc/81/99/49/948819949.db2.gz TYNQXQPSTPDWNC-SNVBAGLBSA-N -1 3 386.818 3.049 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2c1cccc2F ZINC001573756586 948819967 /nfs/dbraw/zinc/81/99/67/948819967.db2.gz TYNQXQPSTPDWNC-SNVBAGLBSA-N -1 3 386.818 3.049 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001573756849 948825885 /nfs/dbraw/zinc/82/58/85/948825885.db2.gz UOJVSRGVGHZDSN-VFNWGFHPSA-N -1 3 394.454 3.155 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001573756849 948825904 /nfs/dbraw/zinc/82/59/04/948825904.db2.gz UOJVSRGVGHZDSN-VFNWGFHPSA-N -1 3 394.454 3.155 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001573756847 948826568 /nfs/dbraw/zinc/82/65/68/948826568.db2.gz UOJVSRGVGHZDSN-BTYIYWSLSA-N -1 3 394.454 3.155 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001573756847 948826583 /nfs/dbraw/zinc/82/65/83/948826583.db2.gz UOJVSRGVGHZDSN-BTYIYWSLSA-N -1 3 394.454 3.155 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCO1 ZINC001573757168 948828232 /nfs/dbraw/zinc/82/82/32/948828232.db2.gz YBTYFCKQTHIAMD-ACJLOTCBSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCO1 ZINC001573757168 948828248 /nfs/dbraw/zinc/82/82/48/948828248.db2.gz YBTYFCKQTHIAMD-ACJLOTCBSA-N -1 3 379.420 3.413 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccncc1 ZINC001573757188 948828588 /nfs/dbraw/zinc/82/85/88/948828588.db2.gz YFSQBNALWOBBGB-CYBMUJFWSA-N -1 3 387.403 3.191 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccncc1 ZINC001573757188 948828604 /nfs/dbraw/zinc/82/86/04/948828604.db2.gz YFSQBNALWOBBGB-CYBMUJFWSA-N -1 3 387.403 3.191 20 0 GGADHM CC(C)c1cnc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC001574424076 948840759 /nfs/dbraw/zinc/84/07/59/948840759.db2.gz DRXBEDKYKXLTCN-UHFFFAOYSA-N -1 3 399.480 3.194 20 0 GGADHM CC(C)c1cnc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC001574424076 948840778 /nfs/dbraw/zinc/84/07/78/948840778.db2.gz DRXBEDKYKXLTCN-UHFFFAOYSA-N -1 3 399.480 3.194 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(OC2CC2)cc1 ZINC001574082091 948847868 /nfs/dbraw/zinc/84/78/68/948847868.db2.gz AELBVPAGYVSWDD-LJQANCHMSA-N -1 3 394.431 3.417 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(OC2CC2)cc1 ZINC001574082091 948847883 /nfs/dbraw/zinc/84/78/83/948847883.db2.gz AELBVPAGYVSWDD-LJQANCHMSA-N -1 3 394.431 3.417 20 0 GGADHM CC(C)(C(=O)COc1nc2c(cc1-c1nnn[n-]1)CCCCC2)c1ccccc1 ZINC001573762282 948850261 /nfs/dbraw/zinc/85/02/61/948850261.db2.gz ROXYYNPAMRXLTE-UHFFFAOYSA-N -1 3 391.475 3.456 20 0 GGADHM CC(C)(C(=O)COc1nc2c(cc1-c1nn[n-]n1)CCCCC2)c1ccccc1 ZINC001573762282 948850283 /nfs/dbraw/zinc/85/02/83/948850283.db2.gz ROXYYNPAMRXLTE-UHFFFAOYSA-N -1 3 391.475 3.456 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001574082420 948857080 /nfs/dbraw/zinc/85/70/80/948857080.db2.gz DHUZKZASBXJVTC-YVWKXTFCSA-N -1 3 391.475 3.190 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001574082420 948857086 /nfs/dbraw/zinc/85/70/86/948857086.db2.gz DHUZKZASBXJVTC-YVWKXTFCSA-N -1 3 391.475 3.190 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCc2c1cccc2F ZINC001574082970 948866933 /nfs/dbraw/zinc/86/69/33/948866933.db2.gz MGCKFJAUJWNYMG-HKUYNNGSSA-N -1 3 395.438 3.213 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCc2c1cccc2F ZINC001574082970 948866949 /nfs/dbraw/zinc/86/69/49/948866949.db2.gz MGCKFJAUJWNYMG-HKUYNNGSSA-N -1 3 395.438 3.213 20 0 GGADHM CC(C)c1nc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2)cs1 ZINC001574425809 948885514 /nfs/dbraw/zinc/88/55/14/948885514.db2.gz NZZMSWIGNYBJPA-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1nc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)c2)cs1 ZINC001574425809 948885523 /nfs/dbraw/zinc/88/55/23/948885523.db2.gz NZZMSWIGNYBJPA-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001574427385 948902737 /nfs/dbraw/zinc/90/27/37/948902737.db2.gz DHMJRAJQFDIMIZ-UHFFFAOYSA-N -1 3 378.223 3.339 20 0 GGADHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001574427385 948902749 /nfs/dbraw/zinc/90/27/49/948902749.db2.gz DHMJRAJQFDIMIZ-UHFFFAOYSA-N -1 3 378.223 3.339 20 0 GGADHM CC[C@](O)(CCC(F)(F)F)CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001589572792 948919140 /nfs/dbraw/zinc/91/91/40/948919140.db2.gz HDYSSUJPYVHSPW-KRWDZBQOSA-N -1 3 392.418 3.154 20 0 GGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001574088853 948937043 /nfs/dbraw/zinc/93/70/43/948937043.db2.gz FKMUFKOBUZDBAG-CEXWTWQISA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001574088853 948937049 /nfs/dbraw/zinc/93/70/49/948937049.db2.gz FKMUFKOBUZDBAG-CEXWTWQISA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001574088855 948939060 /nfs/dbraw/zinc/93/90/60/948939060.db2.gz FKMUFKOBUZDBAG-QRVBRYPASA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001574088855 948939073 /nfs/dbraw/zinc/93/90/73/948939073.db2.gz FKMUFKOBUZDBAG-QRVBRYPASA-N -1 3 398.511 3.164 20 0 GGADHM CC(C)c1nccn1CCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001574433603 948961000 /nfs/dbraw/zinc/96/10/00/948961000.db2.gz YRSSCWOCJGPSSV-UHFFFAOYSA-N -1 3 376.262 3.061 20 0 GGADHM CC(C)(C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1Cl ZINC001573773597 948985701 /nfs/dbraw/zinc/98/57/01/948985701.db2.gz MVXMHPAAKMKUIV-HNNXBMFYSA-N -1 3 381.867 3.081 20 0 GGADHM CC(C)(C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1Cl ZINC001573773597 948985705 /nfs/dbraw/zinc/98/57/05/948985705.db2.gz MVXMHPAAKMKUIV-HNNXBMFYSA-N -1 3 381.867 3.081 20 0 GGADHM C[C@@H](SCc1ncc(-c2nnn[n-]2)cn1)c1cccc(Br)c1 ZINC001575502333 949021587 /nfs/dbraw/zinc/02/15/87/949021587.db2.gz KLKALXZNFHCBFG-SECBINFHSA-N -1 3 377.271 3.414 20 0 GGADHM C[C@@H](SCc1ncc(-c2nn[n-]n2)cn1)c1cccc(Br)c1 ZINC001575502333 949021606 /nfs/dbraw/zinc/02/16/06/949021606.db2.gz KLKALXZNFHCBFG-SECBINFHSA-N -1 3 377.271 3.414 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001575502573 949028137 /nfs/dbraw/zinc/02/81/37/949028137.db2.gz HISXXYWLFUOKBP-SNVBAGLBSA-N -1 3 393.344 3.456 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001575502573 949028153 /nfs/dbraw/zinc/02/81/53/949028153.db2.gz HISXXYWLFUOKBP-SNVBAGLBSA-N -1 3 393.344 3.456 20 0 GGADHM C[C@H](CCO)C1(CNc2cc(Br)ccc2-c2nnn[n-]2)CCC1 ZINC001574692965 949044285 /nfs/dbraw/zinc/04/42/85/949044285.db2.gz FAWZYQZQOMVYSQ-LLVKDONJSA-N -1 3 380.290 3.230 20 0 GGADHM C[C@H](CCO)C1(CNc2cc(Br)ccc2-c2nn[n-]n2)CCC1 ZINC001574692965 949044303 /nfs/dbraw/zinc/04/43/03/949044303.db2.gz FAWZYQZQOMVYSQ-LLVKDONJSA-N -1 3 380.290 3.230 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccn(-c2ccccc2F)n1 ZINC001575509456 949112117 /nfs/dbraw/zinc/11/21/17/949112117.db2.gz CHCYZEMZNXIGAM-AWEZNQCLSA-N -1 3 377.427 3.385 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(-c2ccccn2)s1 ZINC001575510198 949120852 /nfs/dbraw/zinc/12/08/52/949120852.db2.gz GVTFYQHOXRHMMP-GFCCVEGCSA-N -1 3 391.460 3.218 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(-c2ccccn2)s1 ZINC001575510198 949120871 /nfs/dbraw/zinc/12/08/71/949120871.db2.gz GVTFYQHOXRHMMP-GFCCVEGCSA-N -1 3 391.460 3.218 20 0 GGADHM CC(C)(C(=O)NCc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573782529 949124137 /nfs/dbraw/zinc/12/41/37/949124137.db2.gz BTLGWLOAAODABB-UHFFFAOYSA-N -1 3 388.431 3.116 20 0 GGADHM CC(C)(C(=O)NCc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573782529 949124142 /nfs/dbraw/zinc/12/41/42/949124142.db2.gz BTLGWLOAAODABB-UHFFFAOYSA-N -1 3 388.431 3.116 20 0 GGADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001575511610 949128132 /nfs/dbraw/zinc/12/81/32/949128132.db2.gz KNBDVIVGVBYHBW-AWEZNQCLSA-N -1 3 397.504 3.127 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001575511610 949128145 /nfs/dbraw/zinc/12/81/45/949128145.db2.gz KNBDVIVGVBYHBW-AWEZNQCLSA-N -1 3 397.504 3.127 20 0 GGADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1nnc(-c2cccc(F)c2)o1 ZINC001575511537 949128547 /nfs/dbraw/zinc/12/85/47/949128547.db2.gz JYTNQXKHVKUBNL-LBPRGKRZSA-N -1 3 379.399 3.249 20 0 GGADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ncoc1CCC(F)(F)F ZINC001575513231 949146254 /nfs/dbraw/zinc/14/62/54/949146254.db2.gz QVAJHAVRRAAHKU-SNVBAGLBSA-N -1 3 394.357 3.183 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ncoc1CCC(F)(F)F ZINC001575513231 949146267 /nfs/dbraw/zinc/14/62/67/949146267.db2.gz QVAJHAVRRAAHKU-SNVBAGLBSA-N -1 3 394.357 3.183 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001574098503 949161460 /nfs/dbraw/zinc/16/14/60/949161460.db2.gz BDKLUFPYJBCZFM-KKSFZXQISA-N -1 3 391.475 3.321 20 0 GGADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001574098503 949161467 /nfs/dbraw/zinc/16/14/67/949161467.db2.gz BDKLUFPYJBCZFM-KKSFZXQISA-N -1 3 391.475 3.321 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574098770 949165895 /nfs/dbraw/zinc/16/58/95/949165895.db2.gz FGDYJFULENWSNL-WIYYLYMNSA-N -1 3 375.476 3.485 20 0 GGADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574098770 949165908 /nfs/dbraw/zinc/16/59/08/949165908.db2.gz FGDYJFULENWSNL-WIYYLYMNSA-N -1 3 375.476 3.485 20 0 GGADHM C[C@@H](C(=O)Nc1cccc2ncccc21)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602795686 971557537 /nfs/dbraw/zinc/55/75/37/971557537.db2.gz LJWRIXLALWYGLH-ZYSHUDEJSA-N -1 3 389.455 3.362 20 0 GGADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccn(-c2cccc(F)c2)n1 ZINC001575514700 949170349 /nfs/dbraw/zinc/17/03/49/949170349.db2.gz XRCVRCPVZLGGBB-CQSZACIVSA-N -1 3 377.427 3.385 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c2ccccc21 ZINC001574099216 949173539 /nfs/dbraw/zinc/17/35/39/949173539.db2.gz KDBXQEUGLHKHRZ-MJGOQNOKSA-N -1 3 388.475 3.303 20 0 GGADHM CC(C)[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c2ccccc21 ZINC001574099216 949173548 /nfs/dbraw/zinc/17/35/48/949173548.db2.gz KDBXQEUGLHKHRZ-MJGOQNOKSA-N -1 3 388.475 3.303 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N(C)CCCC(=O)[O-] ZINC001602795979 971558369 /nfs/dbraw/zinc/55/83/69/971558369.db2.gz QKKZXBRREMOUMW-AWEZNQCLSA-N -1 3 376.453 3.242 20 0 GGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575514884 949176352 /nfs/dbraw/zinc/17/63/52/949176352.db2.gz ZHRYNRNBQNZHHN-SECBINFHSA-N -1 3 377.235 3.402 20 0 GGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575514884 949176362 /nfs/dbraw/zinc/17/63/62/949176362.db2.gz ZHRYNRNBQNZHHN-SECBINFHSA-N -1 3 377.235 3.402 20 0 GGADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001574099704 949181704 /nfs/dbraw/zinc/18/17/04/949181704.db2.gz NVDAQEQXPSACKS-MRXNPFEDSA-N -1 3 382.855 3.311 20 0 GGADHM CC(C)[C@H]1N(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC12CCCC2 ZINC001574099919 949186374 /nfs/dbraw/zinc/18/63/74/949186374.db2.gz QNAGBOZADGJTRM-RBUKOAKNSA-N -1 3 394.523 3.263 20 0 GGADHM CC(C)[C@@H]1CCc2nc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001574099931 949189568 /nfs/dbraw/zinc/18/95/68/949189568.db2.gz RHBRVAKXSDDKMR-CQSZACIVSA-N -1 3 397.508 3.406 20 0 GGADHM CC(C)[C@@H]1CCc2nc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001574099931 949189575 /nfs/dbraw/zinc/18/95/75/949189575.db2.gz RHBRVAKXSDDKMR-CQSZACIVSA-N -1 3 397.508 3.406 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574099929 949189665 /nfs/dbraw/zinc/18/96/65/949189665.db2.gz REZXSVSGXYEANJ-MRXNPFEDSA-N -1 3 379.424 3.316 20 0 GGADHM CC(C)[C@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574099929 949189672 /nfs/dbraw/zinc/18/96/72/949189672.db2.gz REZXSVSGXYEANJ-MRXNPFEDSA-N -1 3 379.424 3.316 20 0 GGADHM CC(C)(C(=O)Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788200 949195649 /nfs/dbraw/zinc/19/56/49/949195649.db2.gz IFHOVTGLNHRTQJ-UHFFFAOYSA-N -1 3 399.838 3.208 20 0 GGADHM CC(C)(C(=O)Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788200 949195665 /nfs/dbraw/zinc/19/56/65/949195665.db2.gz IFHOVTGLNHRTQJ-UHFFFAOYSA-N -1 3 399.838 3.208 20 0 GGADHM CC(C)(C(=O)Nc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788527 949202100 /nfs/dbraw/zinc/20/21/00/949202100.db2.gz LJQQAWCMNDUZBM-UHFFFAOYSA-N -1 3 387.447 3.028 20 0 GGADHM CC(C)(C(=O)Nc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788527 949202121 /nfs/dbraw/zinc/20/21/21/949202121.db2.gz LJQQAWCMNDUZBM-UHFFFAOYSA-N -1 3 387.447 3.028 20 0 GGADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001575517698 949237377 /nfs/dbraw/zinc/23/73/77/949237377.db2.gz YDYBCVUEFCWZKJ-DNVCBOLYSA-N -1 3 376.464 3.073 20 0 GGADHM C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575857666 949271796 /nfs/dbraw/zinc/27/17/96/949271796.db2.gz TVULHRVGEHLBOL-KRWDZBQOSA-N -1 3 390.369 3.365 20 0 GGADHM C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575857666 949271819 /nfs/dbraw/zinc/27/18/19/949271819.db2.gz TVULHRVGEHLBOL-KRWDZBQOSA-N -1 3 390.369 3.365 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)[C@@H]1C ZINC001576153103 949273045 /nfs/dbraw/zinc/27/30/45/949273045.db2.gz LVPNATOWZRFZIE-IOASZLSFSA-N -1 3 380.452 3.324 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)[C@@H]1C ZINC001576153103 949273065 /nfs/dbraw/zinc/27/30/65/949273065.db2.gz LVPNATOWZRFZIE-IOASZLSFSA-N -1 3 380.452 3.324 20 0 GGADHM C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575857748 949276125 /nfs/dbraw/zinc/27/61/25/949276125.db2.gz VBFKBUXXLFJWMN-LJQANCHMSA-N -1 3 382.493 3.192 20 0 GGADHM CC(C)c1scnc1C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001574453020 949279363 /nfs/dbraw/zinc/27/93/63/949279363.db2.gz VWVBMXOWQLCVQA-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM CC(C)c1scnc1C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001574453020 949279382 /nfs/dbraw/zinc/27/93/82/949279382.db2.gz VWVBMXOWQLCVQA-UHFFFAOYSA-N -1 3 393.270 3.461 20 0 GGADHM C[C@]12CCN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)C[C@H]1C2(Cl)Cl ZINC001575861548 949325249 /nfs/dbraw/zinc/32/52/49/949325249.db2.gz TZVBWXHIYFIYNP-CFAJVAMVSA-N -1 3 392.290 3.013 20 0 GGADHM C[C@]12CCN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)C[C@H]1C2(Cl)Cl ZINC001575861548 949325271 /nfs/dbraw/zinc/32/52/71/949325271.db2.gz TZVBWXHIYFIYNP-CFAJVAMVSA-N -1 3 392.290 3.013 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)s1 ZINC001595230906 949344706 /nfs/dbraw/zinc/34/47/06/949344706.db2.gz PNQHAOJLHHWETF-IBGZPJMESA-N -1 3 394.496 3.464 20 0 GGADHM O=C([O-])c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)s1 ZINC001595230957 949344750 /nfs/dbraw/zinc/34/47/50/949344750.db2.gz QKTLJJYUSBNYDB-UHFFFAOYSA-N -1 3 384.251 3.270 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)O1 ZINC001576155851 949421734 /nfs/dbraw/zinc/42/17/34/949421734.db2.gz VMNVGVPLGFEPIA-OCCSQVGLSA-N -1 3 388.472 3.123 20 0 GGADHM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)O1 ZINC001576155851 949421747 /nfs/dbraw/zinc/42/17/47/949421747.db2.gz VMNVGVPLGFEPIA-OCCSQVGLSA-N -1 3 388.472 3.123 20 0 GGADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575869388 949471672 /nfs/dbraw/zinc/47/16/72/949471672.db2.gz QKOAYSGUOUNEKV-JHJVBQTASA-N -1 3 392.529 3.146 20 0 GGADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575869388 949471685 /nfs/dbraw/zinc/47/16/85/949471685.db2.gz QKOAYSGUOUNEKV-JHJVBQTASA-N -1 3 392.529 3.146 20 0 GGADHM C[C@@H]1[C@H](C)N(Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001575869389 949472424 /nfs/dbraw/zinc/47/24/24/949472424.db2.gz QKOAYSGUOUNEKV-RWMBFGLXSA-N -1 3 392.529 3.146 20 0 GGADHM C[C@@H]1[C@H](C)N(Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001575869389 949472432 /nfs/dbraw/zinc/47/24/32/949472432.db2.gz QKOAYSGUOUNEKV-RWMBFGLXSA-N -1 3 392.529 3.146 20 0 GGADHM O=C([O-])c1cccc(CN2CCC[C@H](c3ncc(Br)cn3)C2)c1 ZINC001595242141 949476676 /nfs/dbraw/zinc/47/66/76/949476676.db2.gz IUDSZHFCUOYJCT-AWEZNQCLSA-N -1 3 376.254 3.317 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576167531 949609427 /nfs/dbraw/zinc/60/94/27/949609427.db2.gz QAIZHFYOQODATO-FZKQIMNGSA-N -1 3 384.484 3.461 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576167531 949609443 /nfs/dbraw/zinc/60/94/43/949609443.db2.gz QAIZHFYOQODATO-FZKQIMNGSA-N -1 3 384.484 3.461 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576167530 949609859 /nfs/dbraw/zinc/60/98/59/949609859.db2.gz QAIZHFYOQODATO-ACJLOTCBSA-N -1 3 384.484 3.461 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576167530 949609873 /nfs/dbraw/zinc/60/98/73/949609873.db2.gz QAIZHFYOQODATO-ACJLOTCBSA-N -1 3 384.484 3.461 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001595257453 949630860 /nfs/dbraw/zinc/63/08/60/949630860.db2.gz HOBHNKRHLICBBQ-HXUWFJFHSA-N -1 3 391.414 3.487 20 0 GGADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001574481961 949814094 /nfs/dbraw/zinc/81/40/94/949814094.db2.gz XZRMCKUUFPGYAQ-OXJNMPFZSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001574481961 949814115 /nfs/dbraw/zinc/81/41/15/949814115.db2.gz XZRMCKUUFPGYAQ-OXJNMPFZSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001574481962 949815866 /nfs/dbraw/zinc/81/58/66/949815866.db2.gz XZRMCKUUFPGYAQ-OXQOHEQNSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001574481962 949815896 /nfs/dbraw/zinc/81/58/96/949815896.db2.gz XZRMCKUUFPGYAQ-OXQOHEQNSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@@H]1CCCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576177674 949853720 /nfs/dbraw/zinc/85/37/20/949853720.db2.gz AIANIMGRDALDFP-XOKHGSTOSA-N -1 3 396.474 3.282 20 0 GGADHM C[C@@H]1CCCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001576177674 949853741 /nfs/dbraw/zinc/85/37/41/949853741.db2.gz AIANIMGRDALDFP-XOKHGSTOSA-N -1 3 396.474 3.282 20 0 GGADHM CC(C)C[C@@H](CCO)CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001574142997 949886671 /nfs/dbraw/zinc/88/66/71/949886671.db2.gz DQKMVKKJIGINRL-SNVBAGLBSA-N -1 3 375.370 3.481 20 0 GGADHM CC(C)C[C@@H](CCO)CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001574142997 949886694 /nfs/dbraw/zinc/88/66/94/949886694.db2.gz DQKMVKKJIGINRL-SNVBAGLBSA-N -1 3 375.370 3.481 20 0 GGADHM CC(C)(C)[C@H]1CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)CCO1 ZINC001573825649 949889763 /nfs/dbraw/zinc/88/97/63/949889763.db2.gz AIHLLINJARFNRQ-MRXNPFEDSA-N -1 3 395.467 3.090 20 0 GGADHM CC(C)(C)[C@H]1CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)CCO1 ZINC001573825649 949889785 /nfs/dbraw/zinc/88/97/85/949889785.db2.gz AIHLLINJARFNRQ-MRXNPFEDSA-N -1 3 395.467 3.090 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573827214 949915788 /nfs/dbraw/zinc/91/57/88/949915788.db2.gz KZLPSLORJCQALZ-MLGOLLRUSA-N -1 3 395.504 3.137 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573827214 949915803 /nfs/dbraw/zinc/91/58/03/949915803.db2.gz KZLPSLORJCQALZ-MLGOLLRUSA-N -1 3 395.504 3.137 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000237139213 949953139 /nfs/dbraw/zinc/95/31/39/949953139.db2.gz RNFIDJJEMZFXCI-UHFFFAOYSA-N -1 3 395.434 3.129 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000237149525 949953752 /nfs/dbraw/zinc/95/37/52/949953752.db2.gz ZLUVGZCUKNJYKM-UHFFFAOYSA-N -1 3 396.443 3.100 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573829530 949961125 /nfs/dbraw/zinc/96/11/25/949961125.db2.gz ZYAIBLYHKINFJW-SJORKVTESA-N -1 3 393.495 3.387 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573829530 949961142 /nfs/dbraw/zinc/96/11/42/949961142.db2.gz ZYAIBLYHKINFJW-SJORKVTESA-N -1 3 393.495 3.387 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1Cc1cccs1 ZINC001576182113 950039809 /nfs/dbraw/zinc/03/98/09/950039809.db2.gz YAQWJZZZXWXYAR-ZDUSSCGKSA-N -1 3 392.492 3.224 20 0 GGADHM C[C@H]1CCCN1c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1Cc1cccs1 ZINC001576182113 950039830 /nfs/dbraw/zinc/03/98/30/950039830.db2.gz YAQWJZZZXWXYAR-ZDUSSCGKSA-N -1 3 392.492 3.224 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)co1 ZINC001573850268 950267225 /nfs/dbraw/zinc/26/72/25/950267225.db2.gz IDUOYIXERFLNMC-SNAWJCMRSA-N -1 3 399.382 3.206 20 0 GGADHM CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)co1 ZINC001573850268 950267242 /nfs/dbraw/zinc/26/72/42/950267242.db2.gz IDUOYIXERFLNMC-SNAWJCMRSA-N -1 3 399.382 3.206 20 0 GGADHM CC(C)(C)OC(=O)[C@](C)(NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573850265 950271306 /nfs/dbraw/zinc/27/13/06/950271306.db2.gz IDIDYOUPRWHKPA-JOCHJYFZSA-N -1 3 393.491 3.256 20 0 GGADHM CC(C)(C)OC(=O)[C@](C)(NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573850265 950271328 /nfs/dbraw/zinc/27/13/28/950271328.db2.gz IDIDYOUPRWHKPA-JOCHJYFZSA-N -1 3 393.491 3.256 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)[C@H]1c1ccccc1 ZINC001576192901 950271637 /nfs/dbraw/zinc/27/16/37/950271637.db2.gz RFJQIJVSSRUEBN-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@H]1c1ccccc1 ZINC001576192901 950271651 /nfs/dbraw/zinc/27/16/51/950271651.db2.gz RFJQIJVSSRUEBN-FZKQIMNGSA-N -1 3 380.427 3.299 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573850376 950274531 /nfs/dbraw/zinc/27/45/31/950274531.db2.gz JBOJDMGHWNMPJO-GFCCVEGCSA-N -1 3 378.864 3.006 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573850376 950274549 /nfs/dbraw/zinc/27/45/49/950274549.db2.gz JBOJDMGHWNMPJO-GFCCVEGCSA-N -1 3 378.864 3.006 20 0 GGADHM CC(C)(C)OC(=O)C1(NCc2ccc(-c3nnn[n-]3)s2)CCCCCC1 ZINC001573850278 950274885 /nfs/dbraw/zinc/27/48/85/950274885.db2.gz IPKACSPFQSKGBG-UHFFFAOYSA-N -1 3 377.514 3.453 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573850379 950275229 /nfs/dbraw/zinc/27/52/29/950275229.db2.gz JBOJDMGHWNMPJO-LBPRGKRZSA-N -1 3 378.864 3.006 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573850379 950275249 /nfs/dbraw/zinc/27/52/49/950275249.db2.gz JBOJDMGHWNMPJO-LBPRGKRZSA-N -1 3 378.864 3.006 20 0 GGADHM CC(C)(C)OC(=O)CC[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573850788 950278255 /nfs/dbraw/zinc/27/82/55/950278255.db2.gz MLYMLHDWDGPKLK-CYBMUJFWSA-N -1 3 375.448 3.344 20 0 GGADHM CC(C)(C)OC(=O)CC[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573850788 950278265 /nfs/dbraw/zinc/27/82/65/950278265.db2.gz MLYMLHDWDGPKLK-CYBMUJFWSA-N -1 3 375.448 3.344 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC001573852381 950307829 /nfs/dbraw/zinc/30/78/29/950307829.db2.gz GHOPPMYRUZZGEK-CQSZACIVSA-N -1 3 388.447 3.350 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC001573852381 950307848 /nfs/dbraw/zinc/30/78/48/950307848.db2.gz GHOPPMYRUZZGEK-CQSZACIVSA-N -1 3 388.447 3.350 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)C1CC1 ZINC001573853128 950318832 /nfs/dbraw/zinc/31/88/32/950318832.db2.gz LMZFANUVLILSTM-UHFFFAOYSA-N -1 3 398.467 3.082 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)C1CC1 ZINC001573853128 950318856 /nfs/dbraw/zinc/31/88/56/950318856.db2.gz LMZFANUVLILSTM-UHFFFAOYSA-N -1 3 398.467 3.082 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263310638 950362105 /nfs/dbraw/zinc/36/21/05/950362105.db2.gz HXMMKDPPMDMRMD-ZTQAJYAQSA-N -1 3 376.472 3.216 20 0 GGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000263322859 950368998 /nfs/dbraw/zinc/36/89/98/950368998.db2.gz JXNPFCUAWUNKQI-LDBYXDLTSA-N -1 3 398.528 3.265 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263361110 950401046 /nfs/dbraw/zinc/40/10/46/950401046.db2.gz RXWBJAGAPBCSDT-POAQFYNOSA-N -1 3 388.508 3.182 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000263367653 950407830 /nfs/dbraw/zinc/40/78/30/950407830.db2.gz UIEYRSQXISAHNH-OGWOLHLISA-N -1 3 398.425 3.010 20 0 GGADHM CSc1ccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000263373550 950415852 /nfs/dbraw/zinc/41/58/52/950415852.db2.gz NTFWENSBZKNVOB-GOSISDBHSA-N -1 3 387.505 3.209 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001573860339 950422149 /nfs/dbraw/zinc/42/21/49/950422149.db2.gz GMKJFUFNHZLHCK-UHFFFAOYSA-N -1 3 393.879 3.165 20 0 GGADHM CC(C)(C)OC(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001573860339 950422162 /nfs/dbraw/zinc/42/21/62/950422162.db2.gz GMKJFUFNHZLHCK-UHFFFAOYSA-N -1 3 393.879 3.165 20 0 GGADHM CC(C)C[C@@H](NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001574163429 950425545 /nfs/dbraw/zinc/42/55/45/950425545.db2.gz UQMIOXOGLJASLH-LJQANCHMSA-N -1 3 378.480 3.496 20 0 GGADHM CC(C)C[C@@H](NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001574163429 950425556 /nfs/dbraw/zinc/42/55/56/950425556.db2.gz UQMIOXOGLJASLH-LJQANCHMSA-N -1 3 378.480 3.496 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263398858 950436753 /nfs/dbraw/zinc/43/67/53/950436753.db2.gz RUAKIDYGXROVAM-WBVHZDCISA-N -1 3 381.904 3.229 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC001573861587 950447956 /nfs/dbraw/zinc/44/79/56/950447956.db2.gz BTMNYQGSIHBABX-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC001573861587 950447967 /nfs/dbraw/zinc/44/79/67/950447967.db2.gz BTMNYQGSIHBABX-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM O=C([O-])c1cccc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000263441698 950465797 /nfs/dbraw/zinc/46/57/97/950465797.db2.gz WQZDYXROUIAUKQ-OAHLLOKOSA-N -1 3 378.350 3.299 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)nc1 ZINC001573862645 950471690 /nfs/dbraw/zinc/47/16/90/950471690.db2.gz ZPANNLDBAJWYRS-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)nc1 ZINC001573862645 950471706 /nfs/dbraw/zinc/47/17/06/950471706.db2.gz ZPANNLDBAJWYRS-UHFFFAOYSA-N -1 3 399.386 3.000 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)c3ccsc32)C1 ZINC001573863512 950480236 /nfs/dbraw/zinc/48/02/36/950480236.db2.gz KMIDBDWGECSKHI-NSHDSACASA-N -1 3 386.481 3.035 20 0 GGADHM CC(C)(C)OC(=O)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)c3ccsc32)C1 ZINC001573863512 950480250 /nfs/dbraw/zinc/48/02/50/950480250.db2.gz KMIDBDWGECSKHI-NSHDSACASA-N -1 3 386.481 3.035 20 0 GGADHM CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000263504163 950496279 /nfs/dbraw/zinc/49/62/79/950496279.db2.gz WMNTZOYNOFXHNM-FQEVSTJZSA-N -1 3 381.476 3.191 20 0 GGADHM CC(C)C[C@]1(CO)CCCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001574168359 950511108 /nfs/dbraw/zinc/51/11/08/950511108.db2.gz VLDVBEWVZXVHLC-NRFANRHFSA-N -1 3 397.523 3.078 20 0 GGADHM CC(C)C[C@]1(CO)CCCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001574168359 950511121 /nfs/dbraw/zinc/51/11/21/950511121.db2.gz VLDVBEWVZXVHLC-NRFANRHFSA-N -1 3 397.523 3.078 20 0 GGADHM CC(C)(C)OC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001573873039 950634913 /nfs/dbraw/zinc/63/49/13/950634913.db2.gz CWCGAJFECFCIKB-GFCCVEGCSA-N -1 3 380.290 3.413 20 0 GGADHM CC(C)(C)OC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001573873039 950634924 /nfs/dbraw/zinc/63/49/24/950634924.db2.gz CWCGAJFECFCIKB-GFCCVEGCSA-N -1 3 380.290 3.413 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC001573873361 950645751 /nfs/dbraw/zinc/64/57/51/950645751.db2.gz KXQRQJUETOQRHT-NVXWUHKLSA-N -1 3 381.436 3.197 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC001573873361 950645768 /nfs/dbraw/zinc/64/57/68/950645768.db2.gz KXQRQJUETOQRHT-NVXWUHKLSA-N -1 3 381.436 3.197 20 0 GGADHM CC1(C)C=Cc2cccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)c2O1 ZINC001575623905 950656148 /nfs/dbraw/zinc/65/61/48/950656148.db2.gz LNSBIHKYLSAIJQ-UHFFFAOYSA-N -1 3 382.811 3.352 20 0 GGADHM CC1(C)C=Cc2cccc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)c2O1 ZINC001575623905 950656165 /nfs/dbraw/zinc/65/61/65/950656165.db2.gz LNSBIHKYLSAIJQ-UHFFFAOYSA-N -1 3 382.811 3.352 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cccc3[nH]ncc32)cc1-c1nnn[n-]1 ZINC001573876295 950666455 /nfs/dbraw/zinc/66/64/55/950666455.db2.gz KAQQGTUWWVTOTL-UHFFFAOYSA-N -1 3 377.408 3.173 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2cccc3[nH]ncc32)cc1-c1nn[n-]n1 ZINC001573876295 950666466 /nfs/dbraw/zinc/66/64/66/950666466.db2.gz KAQQGTUWWVTOTL-UHFFFAOYSA-N -1 3 377.408 3.173 20 0 GGADHM CC(C)(C)Oc1ccccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001573876523 950674523 /nfs/dbraw/zinc/67/45/23/950674523.db2.gz PBXVDNJKJUBLAX-UHFFFAOYSA-N -1 3 380.452 3.043 20 0 GGADHM CC(C)(C)Oc1ccccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001573876523 950674534 /nfs/dbraw/zinc/67/45/34/950674534.db2.gz PBXVDNJKJUBLAX-UHFFFAOYSA-N -1 3 380.452 3.043 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC001576214522 950675222 /nfs/dbraw/zinc/67/52/22/950675222.db2.gz BKTWKDGZNWQYQC-NWDGAFQWSA-N -1 3 382.493 3.265 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC001576214522 950675227 /nfs/dbraw/zinc/67/52/27/950675227.db2.gz BKTWKDGZNWQYQC-NWDGAFQWSA-N -1 3 382.493 3.265 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccc3cccnc3n2)cc1-c1nnn[n-]1 ZINC001573876737 950680657 /nfs/dbraw/zinc/68/06/57/950680657.db2.gz UHUBLHNIZPQVGA-UHFFFAOYSA-N -1 3 389.419 3.240 20 0 GGADHM CC(C)(C)Oc1ccc(NC(=O)c2ccc3cccnc3n2)cc1-c1nn[n-]n1 ZINC001573876737 950680665 /nfs/dbraw/zinc/68/06/65/950680665.db2.gz UHUBLHNIZPQVGA-UHFFFAOYSA-N -1 3 389.419 3.240 20 0 GGADHM C[C@@H]1CCc2c(sc3ncn(CCc4ccc(-c5nnn[n-]5)cc4)c(=O)c23)C1 ZINC001576214745 950682745 /nfs/dbraw/zinc/68/27/45/950682745.db2.gz BZMLBELGQDXYNE-GFCCVEGCSA-N -1 3 392.488 3.006 20 0 GGADHM C[C@@H]1CCc2c(sc3ncn(CCc4ccc(-c5nn[n-]n5)cc4)c(=O)c23)C1 ZINC001576214745 950682753 /nfs/dbraw/zinc/68/27/53/950682753.db2.gz BZMLBELGQDXYNE-GFCCVEGCSA-N -1 3 392.488 3.006 20 0 GGADHM C[C@H]1CCc2c(sc3ncn(CCc4ccc(-c5nnn[n-]5)cc4)c(=O)c23)C1 ZINC001576214747 950684302 /nfs/dbraw/zinc/68/43/02/950684302.db2.gz BZMLBELGQDXYNE-LBPRGKRZSA-N -1 3 392.488 3.006 20 0 GGADHM C[C@H]1CCc2c(sc3ncn(CCc4ccc(-c5nn[n-]n5)cc4)c(=O)c23)C1 ZINC001576214747 950684316 /nfs/dbraw/zinc/68/43/16/950684316.db2.gz BZMLBELGQDXYNE-LBPRGKRZSA-N -1 3 392.488 3.006 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)C[C@@H]3CC(C)(C)CO3)c2-c2nnn[n-]2)C1 ZINC001576215203 950692021 /nfs/dbraw/zinc/69/20/21/950692021.db2.gz DQVAFMFFAWLZNK-WDEREUQCSA-N -1 3 375.498 3.197 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)C[C@@H]3CC(C)(C)CO3)c2-c2nn[n-]n2)C1 ZINC001576215203 950692034 /nfs/dbraw/zinc/69/20/34/950692034.db2.gz DQVAFMFFAWLZNK-WDEREUQCSA-N -1 3 375.498 3.197 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)[C@@H]1CCCO1 ZINC001574519757 950694732 /nfs/dbraw/zinc/69/47/32/950694732.db2.gz HXZMTGKPBKGRNP-DYVFJYSZSA-N -1 3 394.435 3.198 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)[C@@H]1CCCO1 ZINC001574519757 950694747 /nfs/dbraw/zinc/69/47/47/950694747.db2.gz HXZMTGKPBKGRNP-DYVFJYSZSA-N -1 3 394.435 3.198 20 0 GGADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001576215824 950711117 /nfs/dbraw/zinc/71/11/17/950711117.db2.gz GJUCNXHLSSYYBU-PIGZYNQJSA-N -1 3 395.467 3.072 20 0 GGADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001576215824 950711128 /nfs/dbraw/zinc/71/11/28/950711128.db2.gz GJUCNXHLSSYYBU-PIGZYNQJSA-N -1 3 395.467 3.072 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1c(F)cccc1F ZINC001576215837 950713599 /nfs/dbraw/zinc/71/35/99/950713599.db2.gz GPKXUMBAMJVSAQ-GHMZBOCLSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1c(F)cccc1F ZINC001576215837 950713607 /nfs/dbraw/zinc/71/36/07/950713607.db2.gz GPKXUMBAMJVSAQ-GHMZBOCLSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3cccc4cccnc43)c(-c3nnn[n-]3)cc2C1 ZINC001576216266 950728966 /nfs/dbraw/zinc/72/89/66/950728966.db2.gz HKBUYCYWMYJPHY-LBPRGKRZSA-N -1 3 385.431 3.187 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)c3cccc4cccnc43)c(-c3nn[n-]n3)cc2C1 ZINC001576216266 950728978 /nfs/dbraw/zinc/72/89/78/950728978.db2.gz HKBUYCYWMYJPHY-LBPRGKRZSA-N -1 3 385.431 3.187 20 0 GGADHM CC(C)(C)c1cc(NC(=O)Cc2ccco2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573879751 950732803 /nfs/dbraw/zinc/73/28/03/950732803.db2.gz KUIDUWKNZOWPKA-UHFFFAOYSA-N -1 3 391.435 3.124 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)n1ccnc1 ZINC001574520602 950737502 /nfs/dbraw/zinc/73/75/02/950737502.db2.gz VHIFONGMEGBCFE-AWEZNQCLSA-N -1 3 389.419 3.445 20 0 GGADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574520602 950737513 /nfs/dbraw/zinc/73/75/13/950737513.db2.gz VHIFONGMEGBCFE-AWEZNQCLSA-N -1 3 389.419 3.445 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216445 950737517 /nfs/dbraw/zinc/73/75/17/950737517.db2.gz JJUBKRGMQOFQLI-GHMZBOCLSA-N -1 3 398.417 3.407 20 0 GGADHM C[C@@H](C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1ccc(F)c(F)c1 ZINC001576216445 950737526 /nfs/dbraw/zinc/73/75/26/950737526.db2.gz JJUBKRGMQOFQLI-GHMZBOCLSA-N -1 3 398.417 3.407 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001573880405 950746525 /nfs/dbraw/zinc/74/65/25/950746525.db2.gz ZMQQSGXMPYKFBA-RKDXNWHRSA-N -1 3 383.221 3.356 20 0 GGADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001573880405 950746537 /nfs/dbraw/zinc/74/65/37/950746537.db2.gz ZMQQSGXMPYKFBA-RKDXNWHRSA-N -1 3 383.221 3.356 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)C[C@@]3(C)CC3(Cl)Cl)c(-c3nnn[n-]3)cc2C1 ZINC001576217349 950757814 /nfs/dbraw/zinc/75/78/14/950757814.db2.gz NCSJMADAWNHDTG-FVMDXXJSSA-N -1 3 395.294 3.299 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)C[C@@]3(C)CC3(Cl)Cl)c(-c3nn[n-]n3)cc2C1 ZINC001576217349 950757830 /nfs/dbraw/zinc/75/78/30/950757830.db2.gz NCSJMADAWNHDTG-FVMDXXJSSA-N -1 3 395.294 3.299 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)C[C@]3(C)CC3(Cl)Cl)c(-c3nnn[n-]3)cc2C1 ZINC001576217353 950759374 /nfs/dbraw/zinc/75/93/74/950759374.db2.gz NCSJMADAWNHDTG-XXFAHNHDSA-N -1 3 395.294 3.299 20 0 GGADHM C[C@H]1CCc2nc(NC(=O)C[C@]3(C)CC3(Cl)Cl)c(-c3nn[n-]n3)cc2C1 ZINC001576217353 950759382 /nfs/dbraw/zinc/75/93/82/950759382.db2.gz NCSJMADAWNHDTG-XXFAHNHDSA-N -1 3 395.294 3.299 20 0 GGADHM CC(C)(C)c1cccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC001573881998 950762194 /nfs/dbraw/zinc/76/21/94/950762194.db2.gz NFBPUQLXIQEDHI-UHFFFAOYSA-N -1 3 390.491 3.127 20 0 GGADHM CC(C)(C)c1cccc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC001573881998 950762209 /nfs/dbraw/zinc/76/22/09/950762209.db2.gz NFBPUQLXIQEDHI-UHFFFAOYSA-N -1 3 390.491 3.127 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000312605306 950763237 /nfs/dbraw/zinc/76/32/37/950763237.db2.gz YVBZNKIPLXJCTP-OALUTQOASA-N -1 3 375.513 3.039 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)CCCc3cccs3)c(-c3nnn[n-]3)cc2C1 ZINC001576217714 950768485 /nfs/dbraw/zinc/76/84/85/950768485.db2.gz NZVUIZBADAWERJ-GFCCVEGCSA-N -1 3 382.493 3.409 20 0 GGADHM C[C@@H]1CCc2nc(NC(=O)CCCc3cccs3)c(-c3nn[n-]n3)cc2C1 ZINC001576217714 950768495 /nfs/dbraw/zinc/76/84/95/950768495.db2.gz NZVUIZBADAWERJ-GFCCVEGCSA-N -1 3 382.493 3.409 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC001573882111 950769608 /nfs/dbraw/zinc/76/96/08/950769608.db2.gz SHWWSCGJJAWTPN-UHFFFAOYSA-N -1 3 394.403 3.210 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC001573882111 950769626 /nfs/dbraw/zinc/76/96/26/950769626.db2.gz SHWWSCGJJAWTPN-UHFFFAOYSA-N -1 3 394.403 3.210 20 0 GGADHM CC(C)CCC1CCN(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001574183940 950772917 /nfs/dbraw/zinc/77/29/17/950772917.db2.gz CAUVDWXEGFFNGM-IBGZPJMESA-N -1 3 382.512 3.192 20 0 GGADHM CC(C)CCC1CCN(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001574183940 950772931 /nfs/dbraw/zinc/77/29/31/950772931.db2.gz CAUVDWXEGFFNGM-IBGZPJMESA-N -1 3 382.512 3.192 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)c3ncc4n3CCCC4)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576217963 950779569 /nfs/dbraw/zinc/77/95/69/950779569.db2.gz PQTWDFHCJSDTTD-GHMZBOCLSA-N -1 3 397.508 3.399 20 0 GGADHM C[C@@H]1CCc2sc(NC(=O)c3ncc4n3CCCC4)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576217963 950779576 /nfs/dbraw/zinc/77/95/76/950779576.db2.gz PQTWDFHCJSDTTD-GHMZBOCLSA-N -1 3 397.508 3.399 20 0 GGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2 ZINC001576218290 950783537 /nfs/dbraw/zinc/78/35/37/950783537.db2.gz QCFKRIVTVAAZIQ-ZIAGYGMSSA-N -1 3 398.511 3.453 20 0 GGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2 ZINC001576218290 950783546 /nfs/dbraw/zinc/78/35/46/950783546.db2.gz QCFKRIVTVAAZIQ-ZIAGYGMSSA-N -1 3 398.511 3.453 20 0 GGADHM CC(C)(C)c1nc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2)co1 ZINC001573884238 950792604 /nfs/dbraw/zinc/79/26/04/950792604.db2.gz BNZITDOICZOPDQ-UHFFFAOYSA-N -1 3 391.229 3.167 20 0 GGADHM CC(C)(C)c1nc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)c2)co1 ZINC001573884238 950792619 /nfs/dbraw/zinc/79/26/19/950792619.db2.gz BNZITDOICZOPDQ-UHFFFAOYSA-N -1 3 391.229 3.167 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576220167 950826220 /nfs/dbraw/zinc/82/62/20/950826220.db2.gz VXVLDVADZSXBLM-BBATYDOGSA-N -1 3 398.417 3.268 20 0 GGADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576220167 950826251 /nfs/dbraw/zinc/82/62/51/950826251.db2.gz VXVLDVADZSXBLM-BBATYDOGSA-N -1 3 398.417 3.268 20 0 GGADHM CC(C)(C)c1csc(NC(=O)c2ccc(-n3ccnn3)cc2)c1-c1nnn[n-]1 ZINC001573885485 950827024 /nfs/dbraw/zinc/82/70/24/950827024.db2.gz YBERJHDHYGHMPB-UHFFFAOYSA-N -1 3 394.464 3.059 20 0 GGADHM CC(C)(C)c1csc(NC(=O)c2ccc(-n3ccnn3)cc2)c1-c1nn[n-]n1 ZINC001573885485 950827045 /nfs/dbraw/zinc/82/70/45/950827045.db2.gz YBERJHDHYGHMPB-UHFFFAOYSA-N -1 3 394.464 3.059 20 0 GGADHM CC1(C)C[C@H](CNc2ccc(-c3nnn[n-]3)c(Br)c2F)CCO1 ZINC001575638379 950828103 /nfs/dbraw/zinc/82/81/03/950828103.db2.gz AQIGOJMIWHCNEY-SECBINFHSA-N -1 3 384.253 3.385 20 0 GGADHM CC1(C)C[C@H](CNc2ccc(-c3nn[n-]n3)c(Br)c2F)CCO1 ZINC001575638379 950828128 /nfs/dbraw/zinc/82/81/28/950828128.db2.gz AQIGOJMIWHCNEY-SECBINFHSA-N -1 3 384.253 3.385 20 0 GGADHM C[C@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nnn[n-]2)C[C@H](C)CC3)[C@H]1c1ccccc1 ZINC001576220351 950830910 /nfs/dbraw/zinc/83/09/10/950830910.db2.gz XFPBGNZANBQXHV-YTFOQLDISA-N -1 3 388.475 3.375 20 0 GGADHM C[C@H]1[C@@H](C(=O)Nc2nc3c(cc2-c2nn[n-]n2)C[C@H](C)CC3)[C@H]1c1ccccc1 ZINC001576220351 950830936 /nfs/dbraw/zinc/83/09/36/950830936.db2.gz XFPBGNZANBQXHV-YTFOQLDISA-N -1 3 388.475 3.375 20 0 GGADHM CC(C)(C)n1c2ccccc2nc1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001573887632 950851413 /nfs/dbraw/zinc/85/14/13/950851413.db2.gz GLELJEUZVUHDAR-UHFFFAOYSA-N -1 3 396.842 3.272 20 0 GGADHM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)cc2F)CO1 ZINC001575639199 950855740 /nfs/dbraw/zinc/85/57/40/950855740.db2.gz PJPFJXJLEFVLSM-MRXNPFEDSA-N -1 3 395.438 3.216 20 0 GGADHM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)cc2F)CO1 ZINC001575639199 950855759 /nfs/dbraw/zinc/85/57/59/950855759.db2.gz PJPFJXJLEFVLSM-MRXNPFEDSA-N -1 3 395.438 3.216 20 0 GGADHM CC1(C)C[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCS1 ZINC001575639885 950882156 /nfs/dbraw/zinc/88/21/56/950882156.db2.gz CKIAFSJGEPYXLP-SNVBAGLBSA-N -1 3 398.439 3.264 20 0 GGADHM CC1(C)C[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCS1 ZINC001575639885 950882171 /nfs/dbraw/zinc/88/21/71/950882171.db2.gz CKIAFSJGEPYXLP-SNVBAGLBSA-N -1 3 398.439 3.264 20 0 GGADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2c(C(=O)[O-])cnn2C)CC1 ZINC001590378824 950944116 /nfs/dbraw/zinc/94/41/16/950944116.db2.gz XZYQZXMRIPJMNE-SFHVURJKSA-N -1 3 399.491 3.067 20 0 GGADHM CC1(C)C[C@@]1(C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001575642725 950952284 /nfs/dbraw/zinc/95/22/84/950952284.db2.gz WFWPEWKILMZBEU-OAQYLSRUSA-N -1 3 377.448 3.364 20 0 GGADHM CC1(C)C[C@@]1(C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001575642725 950952298 /nfs/dbraw/zinc/95/22/98/950952298.db2.gz WFWPEWKILMZBEU-OAQYLSRUSA-N -1 3 377.448 3.364 20 0 GGADHM CC1(C)C[C@]1(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001575642992 950955218 /nfs/dbraw/zinc/95/52/18/950955218.db2.gz WZOJEGAPUMMUHL-FQEVSTJZSA-N -1 3 379.489 3.400 20 0 GGADHM CC1(C)C[C@]1(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001575642992 950955235 /nfs/dbraw/zinc/95/52/35/950955235.db2.gz WZOJEGAPUMMUHL-FQEVSTJZSA-N -1 3 379.489 3.400 20 0 GGADHM CC(C)CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccoc1 ZINC001574195611 951000625 /nfs/dbraw/zinc/00/06/25/951000625.db2.gz UWJNMTJNJYRTKY-UHFFFAOYSA-N -1 3 392.467 3.249 20 0 GGADHM CC(C)CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccoc1 ZINC001574195611 951000647 /nfs/dbraw/zinc/00/06/47/951000647.db2.gz UWJNMTJNJYRTKY-UHFFFAOYSA-N -1 3 392.467 3.249 20 0 GGADHM CC(C)CCCNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001574195656 951004712 /nfs/dbraw/zinc/00/47/12/951004712.db2.gz WBGAPZDMYDZQRO-UHFFFAOYSA-N -1 3 388.863 3.264 20 0 GGADHM CC(C)(CCNC(=O)c1cccc(-c2nnn[n-]2)c1Br)C1CC1 ZINC001573900510 951004908 /nfs/dbraw/zinc/00/49/08/951004908.db2.gz ABBYUXATQOMDBK-UHFFFAOYSA-N -1 3 378.274 3.185 20 0 GGADHM CC(C)(CCNC(=O)c1cccc(-c2nn[n-]n2)c1Br)C1CC1 ZINC001573900510 951004932 /nfs/dbraw/zinc/00/49/32/951004932.db2.gz ABBYUXATQOMDBK-UHFFFAOYSA-N -1 3 378.274 3.185 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC001594992848 951048183 /nfs/dbraw/zinc/04/81/83/951048183.db2.gz BZOQNACGFMMYIA-PGRDOPGGSA-N -1 3 392.499 3.347 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC001594992846 951048914 /nfs/dbraw/zinc/04/89/14/951048914.db2.gz BZOQNACGFMMYIA-AVRDEDQJSA-N -1 3 392.499 3.347 20 0 GGADHM CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1C ZINC001591427104 951142633 /nfs/dbraw/zinc/14/26/33/951142633.db2.gz ZWHQFKCFOYUJNO-WCQYABFASA-N -1 3 396.509 3.380 20 0 GGADHM CC(C)C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000379421362 951165286 /nfs/dbraw/zinc/16/52/86/951165286.db2.gz KWGUYMCJEAXLJO-OALUTQOASA-N -1 3 375.513 3.087 20 0 GGADHM CCO[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C12CCCC2 ZINC001591761724 951203646 /nfs/dbraw/zinc/20/36/46/951203646.db2.gz JTLXCGMHSYLNDM-KBAYOESNSA-N -1 3 376.497 3.408 20 0 GGADHM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001595008973 951238566 /nfs/dbraw/zinc/23/85/66/951238566.db2.gz ZFZZXVDLEDMBRC-MSOLQXFVSA-N -1 3 394.462 3.390 20 0 GGADHM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001595008976 951238654 /nfs/dbraw/zinc/23/86/54/951238654.db2.gz ZFZZXVDLEDMBRC-ZWKOTPCHSA-N -1 3 394.462 3.390 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000397975680 951578154 /nfs/dbraw/zinc/57/81/54/951578154.db2.gz VNXCMRSANQHCOH-GOSISDBHSA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2CCOc1ccccc1C(=O)[O-] ZINC001602889822 971797345 /nfs/dbraw/zinc/79/73/45/971797345.db2.gz SLZZUBTZAJMBFB-IRXDYDNUSA-N -1 3 390.480 3.237 20 0 GGADHM O=C([O-])Cc1ccccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001595136418 952055528 /nfs/dbraw/zinc/05/55/28/952055528.db2.gz QBARJGNGTWSCSV-UHFFFAOYSA-N -1 3 399.413 3.241 20 0 GGADHM C[C@H](CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575137365 952137417 /nfs/dbraw/zinc/13/74/17/952137417.db2.gz XFXLUBJDLXMYPK-CYBMUJFWSA-N -1 3 397.504 3.363 20 0 GGADHM C[C@H](CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575137365 952137418 /nfs/dbraw/zinc/13/74/18/952137418.db2.gz XFXLUBJDLXMYPK-CYBMUJFWSA-N -1 3 397.504 3.363 20 0 GGADHM O=C([O-])[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1c1ccccc1 ZINC001595191119 952283334 /nfs/dbraw/zinc/28/33/34/952283334.db2.gz BGRZPVSRYIPZPK-ZWKOTPCHSA-N -1 3 383.398 3.451 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC001595192264 952288701 /nfs/dbraw/zinc/28/87/01/952288701.db2.gz FHROMWOYFPAZGE-INIZCTEOSA-N -1 3 382.441 3.324 20 0 GGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Br)Oc1ccccc1F ZINC001575165568 952309771 /nfs/dbraw/zinc/30/97/71/952309771.db2.gz PHHMGVLGEWKQMC-SECBINFHSA-N -1 3 393.220 3.043 20 0 GGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Br)Oc1ccccc1F ZINC001575165568 952309775 /nfs/dbraw/zinc/30/97/75/952309775.db2.gz PHHMGVLGEWKQMC-SECBINFHSA-N -1 3 393.220 3.043 20 0 GGADHM C[C@@H](COCC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC001575177288 952401326 /nfs/dbraw/zinc/40/13/26/952401326.db2.gz LBJKQAXYAKTQDA-AWEZNQCLSA-N -1 3 388.431 3.174 20 0 GGADHM C[C@@H](COCC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC001575177288 952401330 /nfs/dbraw/zinc/40/13/30/952401330.db2.gz LBJKQAXYAKTQDA-AWEZNQCLSA-N -1 3 388.431 3.174 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575177659 952402798 /nfs/dbraw/zinc/40/27/98/952402798.db2.gz MBTIWEJSTLNQTJ-HZPDHXFCSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575177659 952402799 /nfs/dbraw/zinc/40/27/99/952402799.db2.gz MBTIWEJSTLNQTJ-HZPDHXFCSA-N -1 3 385.512 3.147 20 0 GGADHM C[C@H](COCC(F)(F)F)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001575178340 952406914 /nfs/dbraw/zinc/40/69/14/952406914.db2.gz OQHMLYZPMWTJLR-SSDOTTSWSA-N -1 3 380.168 3.009 20 0 GGADHM C[C@H](COCC(F)(F)F)Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001575178340 952406917 /nfs/dbraw/zinc/40/69/17/952406917.db2.gz OQHMLYZPMWTJLR-SSDOTTSWSA-N -1 3 380.168 3.009 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575179047 952409831 /nfs/dbraw/zinc/40/98/31/952409831.db2.gz SJVBGCFNLDALSR-KUHUBIRLSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@H](COCC1CCCCC1)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575179047 952409835 /nfs/dbraw/zinc/40/98/35/952409835.db2.gz SJVBGCFNLDALSR-KUHUBIRLSA-N -1 3 398.511 3.139 20 0 GGADHM C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575187167 952438121 /nfs/dbraw/zinc/43/81/21/952438121.db2.gz AAYQAZFZRJDIHA-ZNZDAUKMSA-N -1 3 379.439 3.199 20 0 GGADHM C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575187167 952438125 /nfs/dbraw/zinc/43/81/25/952438125.db2.gz AAYQAZFZRJDIHA-ZNZDAUKMSA-N -1 3 379.439 3.199 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001575187656 952443506 /nfs/dbraw/zinc/44/35/06/952443506.db2.gz DPWBQKVXWZLUAI-NSHDSACASA-N -1 3 399.838 3.109 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001575187656 952443510 /nfs/dbraw/zinc/44/35/10/952443510.db2.gz DPWBQKVXWZLUAI-NSHDSACASA-N -1 3 399.838 3.109 20 0 GGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCO2 ZINC001575188961 952451445 /nfs/dbraw/zinc/45/14/45/952451445.db2.gz LLMDLXONEBWBTO-UONOGXRCSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@@H](OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCO2 ZINC001575188961 952451447 /nfs/dbraw/zinc/45/14/47/952451447.db2.gz LLMDLXONEBWBTO-UONOGXRCSA-N -1 3 378.432 3.285 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001575189266 952453871 /nfs/dbraw/zinc/45/38/71/952453871.db2.gz NFHBBEYJPSOKSB-CWFSZBLJSA-N -1 3 375.476 3.498 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001575189266 952453877 /nfs/dbraw/zinc/45/38/77/952453877.db2.gz NFHBBEYJPSOKSB-CWFSZBLJSA-N -1 3 375.476 3.498 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001575190900 952464309 /nfs/dbraw/zinc/46/43/09/952464309.db2.gz UREFZSDNDJQERN-VMDGZTHMSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001575190900 952464313 /nfs/dbraw/zinc/46/43/13/952464313.db2.gz UREFZSDNDJQERN-VMDGZTHMSA-N -1 3 379.439 3.187 20 0 GGADHM C[C@H](Cc1cccc(Br)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575191038 952464824 /nfs/dbraw/zinc/46/48/24/952464824.db2.gz WGLVRFRJXCMDTL-SECBINFHSA-N -1 3 377.221 3.206 20 0 GGADHM C[C@H](Cc1cccc(Br)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575191038 952464826 /nfs/dbraw/zinc/46/48/26/952464826.db2.gz WGLVRFRJXCMDTL-SECBINFHSA-N -1 3 377.221 3.206 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N=c1ccccn1Cc1ccccc1 ZINC001575191560 952467151 /nfs/dbraw/zinc/46/71/51/952467151.db2.gz XUAAHSNWGDVEEN-KRWDZBQOSA-N -1 3 398.470 3.023 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N=c1ccccn1Cc1ccccc1 ZINC001575191560 952467156 /nfs/dbraw/zinc/46/71/56/952467156.db2.gz XUAAHSNWGDVEEN-KRWDZBQOSA-N -1 3 398.470 3.023 20 0 GGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001575191753 952468278 /nfs/dbraw/zinc/46/82/78/952468278.db2.gz ZBJXIYDEBOEBPB-GFCCVEGCSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001575191753 952468287 /nfs/dbraw/zinc/46/82/87/952468287.db2.gz ZBJXIYDEBOEBPB-GFCCVEGCSA-N -1 3 384.871 3.403 20 0 GGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC001575191885 952469496 /nfs/dbraw/zinc/46/94/96/952469496.db2.gz ZMIMNYHRKPTRCX-JTQLQIEISA-N -1 3 391.353 3.425 20 0 GGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC001575191885 952469504 /nfs/dbraw/zinc/46/95/04/952469504.db2.gz ZMIMNYHRKPTRCX-JTQLQIEISA-N -1 3 391.353 3.425 20 0 GGADHM C[C@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001575201126 952500386 /nfs/dbraw/zinc/50/03/86/952500386.db2.gz HFWNPTDIKCLADK-LLVKDONJSA-N -1 3 390.900 3.354 20 0 GGADHM C[C@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001575201126 952500390 /nfs/dbraw/zinc/50/03/90/952500390.db2.gz HFWNPTDIKCLADK-LLVKDONJSA-N -1 3 390.900 3.354 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424262063 953441932 /nfs/dbraw/zinc/44/19/32/953441932.db2.gz PYQNPIZXWBOYFK-AEFFLSMTSA-N -1 3 376.497 3.372 20 0 GGADHM O=C([O-])c1ccc(Br)c(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC001594751459 953442110 /nfs/dbraw/zinc/44/21/10/953442110.db2.gz HEERUSWJDCINIW-ZDUSSCGKSA-N -1 3 396.285 3.286 20 0 GGADHM O=C([O-])c1ccc(Br)c(NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC001594751458 953443001 /nfs/dbraw/zinc/44/30/01/953443001.db2.gz HEERUSWJDCINIW-CYBMUJFWSA-N -1 3 396.285 3.286 20 0 GGADHM CCC(CC)(CNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)C(=O)[O-] ZINC000424423935 953482731 /nfs/dbraw/zinc/48/27/31/953482731.db2.gz IOZZWJMLWOAWLS-UHFFFAOYSA-N -1 3 381.561 3.419 20 0 GGADHM CC(C)C[C@H](CNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)C(=O)[O-] ZINC000424429240 953485218 /nfs/dbraw/zinc/48/52/18/953485218.db2.gz ZHZJMCUSSRJEDV-JLAWEPINSA-N -1 3 381.561 3.275 20 0 GGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000426822124 953495512 /nfs/dbraw/zinc/49/55/12/953495512.db2.gz ZYVWDULHPWMNTC-KRWDZBQOSA-N -1 3 391.258 3.360 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000532711702 953565512 /nfs/dbraw/zinc/56/55/12/953565512.db2.gz HUMYUNVRDQMHAM-SFHVURJKSA-N -1 3 396.487 3.069 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000569971028 953651905 /nfs/dbraw/zinc/65/19/05/953651905.db2.gz BSSXARQKIZDEOQ-HIFRSBDPSA-N -1 3 398.425 3.382 20 0 GGADHM C[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000577750684 953695668 /nfs/dbraw/zinc/69/56/68/953695668.db2.gz RGFRFODYWISCNV-FYINFDKHSA-N -1 3 398.528 3.265 20 0 GGADHM C[C@@H]1CN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000629494987 953825953 /nfs/dbraw/zinc/82/59/53/953825953.db2.gz GFXUGNYRCUKMCL-OLMNPRSZSA-N -1 3 378.488 3.462 20 0 GGADHM C[C@H]1CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@H]1C(=O)[O-] ZINC000629502933 953831700 /nfs/dbraw/zinc/83/17/00/953831700.db2.gz SZTWLCCIHIMTFV-SUMWQHHRSA-N -1 3 398.425 3.239 20 0 GGADHM C[C@@H]1CN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@H]1C(=O)[O-] ZINC000629502929 953833748 /nfs/dbraw/zinc/83/37/48/953833748.db2.gz SZTWLCCIHIMTFV-CXAGYDPISA-N -1 3 398.425 3.239 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635019922 953874154 /nfs/dbraw/zinc/87/41/54/953874154.db2.gz FIIQXGAJECBQJX-OPAMFIHVSA-N -1 3 398.459 3.229 20 0 GGADHM CCc1ccc([C@H](CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000652083947 954038531 /nfs/dbraw/zinc/03/85/31/954038531.db2.gz SFNSWOXNFXMWQS-REWPJTCUSA-N -1 3 397.519 3.193 20 0 GGADHM CN(C)[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccsc1 ZINC001593692747 954053767 /nfs/dbraw/zinc/05/37/67/954053767.db2.gz GEWAHJRFFICJMQ-RHSMWYFYSA-N -1 3 377.510 3.035 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602974074 971981872 /nfs/dbraw/zinc/98/18/72/971981872.db2.gz DQIYAEUXTOQYCX-FQEVSTJZSA-N -1 3 384.476 3.036 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001593695902 954075444 /nfs/dbraw/zinc/07/54/44/954075444.db2.gz UVOBLZWPIJGJBY-HNNXBMFYSA-N -1 3 396.369 3.223 20 0 GGADHM CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC001589353444 954104758 /nfs/dbraw/zinc/10/47/58/954104758.db2.gz QSDBDPUPBMGXPU-OWCLPIDISA-N -1 3 379.526 3.074 20 0 GGADHM CC(C)[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000655859460 954241550 /nfs/dbraw/zinc/24/15/50/954241550.db2.gz LBMRWXUQVUQCSG-JKSUJKDBSA-N -1 3 381.542 3.177 20 0 GGADHM CCCN(C)[C@H](CNC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000655877171 954262766 /nfs/dbraw/zinc/26/27/66/954262766.db2.gz XRPAOFRRFXYWCS-DLBZAZTESA-N -1 3 383.920 3.379 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000655877174 954263693 /nfs/dbraw/zinc/26/36/93/954263693.db2.gz XRPAOFRRFXYWCS-SJORKVTESA-N -1 3 383.920 3.379 20 0 GGADHM C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879348 954264238 /nfs/dbraw/zinc/26/42/38/954264238.db2.gz PRGVFOIFQFIXRL-WAARBJQMSA-N -1 3 387.524 3.084 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655903959 954285910 /nfs/dbraw/zinc/28/59/10/954285910.db2.gz GABBEHZHCWGEMI-NZSAHSFTSA-N -1 3 389.540 3.204 20 0 GGADHM C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907131 954290276 /nfs/dbraw/zinc/29/02/76/954290276.db2.gz HJGXNIXCVJHFEU-NZSAHSFTSA-N -1 3 387.524 3.039 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)CC(=O)[O-] ZINC000659417785 954342985 /nfs/dbraw/zinc/34/29/85/954342985.db2.gz RYEVXCPPRHOXJQ-PMACEKPBSA-N -1 3 389.540 3.429 20 0 GGADHM CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000659755066 954357140 /nfs/dbraw/zinc/35/71/40/954357140.db2.gz VFJANRFJOYDQDH-PXNSSMCTSA-N -1 3 396.487 3.448 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC[C@@H]1C(=O)[O-] ZINC001589395471 954363728 /nfs/dbraw/zinc/36/37/28/954363728.db2.gz IYIASGZQDCYOIZ-PIPMEXSNSA-N -1 3 392.499 3.203 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221305 954389980 /nfs/dbraw/zinc/38/99/80/954389980.db2.gz FCQOSRAKLOBPDP-INIZCTEOSA-N -1 3 388.851 3.361 20 0 GGADHM O=C([O-])[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)Cc2ccccc21 ZINC000662221234 954390634 /nfs/dbraw/zinc/39/06/34/954390634.db2.gz CWHDCZROVJOETO-HNNXBMFYSA-N -1 3 376.815 3.492 20 0 GGADHM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1c(C(=O)[O-])cnn1C ZINC001593751087 954410916 /nfs/dbraw/zinc/41/09/16/954410916.db2.gz FGSGNLNGDRCHCM-UHFFFAOYSA-N -1 3 399.470 3.492 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001589400556 954422608 /nfs/dbraw/zinc/42/26/08/954422608.db2.gz DCHGLUGXIYAMLM-KRWDZBQOSA-N -1 3 381.476 3.300 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3cccc(C(=O)[O-])c3)C2)O1 ZINC001589400856 954426258 /nfs/dbraw/zinc/42/62/58/954426258.db2.gz IQNJXGAIHSSFRM-FDDCHVKYSA-N -1 3 380.488 3.250 20 0 GGADHM O=C([O-])C1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCCCCC1 ZINC000663105925 954494039 /nfs/dbraw/zinc/49/40/39/954494039.db2.gz WLRUUIPGPFCSDA-UHFFFAOYSA-N -1 3 382.570 3.280 20 0 GGADHM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000663114660 954507199 /nfs/dbraw/zinc/50/71/99/954507199.db2.gz NJNDTYSFSPVZNA-QGZVFWFLSA-N -1 3 396.915 3.046 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562531 954560636 /nfs/dbraw/zinc/56/06/36/954560636.db2.gz LLRJDWLQXXPYOI-QGZVFWFLSA-N -1 3 381.476 3.191 20 0 GGADHM CCN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000666563150 954560865 /nfs/dbraw/zinc/56/08/65/954560865.db2.gz UQPRITHAVUCZRK-HXUWFJFHSA-N -1 3 381.476 3.191 20 0 GGADHM O=C([O-])[C@H]1C[C@@H](NCc2cnc3ccc(Br)cn23)c2ccccc21 ZINC001594899288 954606486 /nfs/dbraw/zinc/60/64/86/954606486.db2.gz CSSYCZOZRDDQRC-JKSUJKDBSA-N -1 3 386.249 3.500 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@@H]3C[C@H](O)c3ccco3)o2)C1 ZINC001594914373 954728482 /nfs/dbraw/zinc/72/84/82/954728482.db2.gz GEKDCQDCDMMJEM-NUJGCVRESA-N -1 3 388.464 3.262 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H]3CSc4ccccc4O3)o2)C1 ZINC001594914776 954734971 /nfs/dbraw/zinc/73/49/71/954734971.db2.gz INHTVNWZRMFCOH-GOEBONIOSA-N -1 3 388.489 3.224 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCOc3ccc(F)cc3F)o2)C1 ZINC001594915415 954744105 /nfs/dbraw/zinc/74/41/05/954744105.db2.gz CRZOOTQMFLTEQL-ZDUSSCGKSA-N -1 3 380.391 3.027 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@@](O)(c4ccccc4)C3)o2)C1 ZINC001594915696 954749707 /nfs/dbraw/zinc/74/97/07/954749707.db2.gz KNKGGSVQGWCXFT-VGSWGCGISA-N -1 3 384.476 3.064 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@](O)(c4ccccc4)C3)o2)C1 ZINC001594915695 954749864 /nfs/dbraw/zinc/74/98/64/954749864.db2.gz KNKGGSVQGWCXFT-VGOFRKELSA-N -1 3 384.476 3.064 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCOc3cccc(Cl)c3)o2)C1 ZINC001594916527 954758982 /nfs/dbraw/zinc/75/89/82/954758982.db2.gz MYEVWRMXBAFNOD-CQSZACIVSA-N -1 3 378.856 3.403 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCSCCC(F)(F)F)o2)C1 ZINC001594917654 954774550 /nfs/dbraw/zinc/77/45/50/954774550.db2.gz VXCBVCFTHBTJBX-LBPRGKRZSA-N -1 3 380.432 3.356 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC3CC(OCc4ccccc4)C3)o2)C1 ZINC001594917830 954776346 /nfs/dbraw/zinc/77/63/46/954776346.db2.gz QGESXMPGCZIJBW-PGYGNJIDSA-N -1 3 384.476 3.418 20 0 GGADHM CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589462500 954863595 /nfs/dbraw/zinc/86/35/95/954863595.db2.gz GNMPYLPTASEOIW-HNONPPJISA-N -1 3 385.464 3.321 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@@](O)(c4ccccc4)C3)o2)CC1 ZINC001594939498 954870817 /nfs/dbraw/zinc/87/08/17/954870817.db2.gz WVUSXTBYWMESLT-QFIPXVFZSA-N -1 3 384.476 3.064 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CNC[C@@]3(c4ccccc4)CCCO3)o2)CC1 ZINC001594940037 954876098 /nfs/dbraw/zinc/87/60/98/954876098.db2.gz SHUXENUCICFWNB-JOCHJYFZSA-N -1 3 384.476 3.376 20 0 GGADHM COC(=O)C1CC2(C1)CN(CCc1cccc(Cl)c1Cl)C[C@@H]2C(=O)[O-] ZINC001593823357 955062634 /nfs/dbraw/zinc/06/26/34/955062634.db2.gz DBHZXIWDNNHSKG-YNAXMUEKSA-N -1 3 386.275 3.122 20 0 GGADHM COC(=O)C1CC2(C1)CN(CCc1cccc(Cl)c1Cl)C[C@H]2C(=O)[O-] ZINC001593823356 955062696 /nfs/dbraw/zinc/06/26/96/955062696.db2.gz DBHZXIWDNNHSKG-XYEKJYRLSA-N -1 3 386.275 3.122 20 0 GGADHM CC[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001589551772 955221754 /nfs/dbraw/zinc/22/17/54/955221754.db2.gz DPKAOVOITBEWJP-HUUCEWRRSA-N -1 3 380.485 3.038 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000836692330 955557305 /nfs/dbraw/zinc/55/73/05/955557305.db2.gz GCVJFLQIIMLGAM-ZDUSSCGKSA-N -1 3 383.370 3.316 20 0 GGADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)cc1Br ZINC001593879783 955698182 /nfs/dbraw/zinc/69/81/82/955698182.db2.gz RKFVOAHYHKNBHC-INIZCTEOSA-N -1 3 392.249 3.460 20 0 GGADHM C[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1ccc(F)cc1 ZINC001589066715 955752242 /nfs/dbraw/zinc/75/22/42/955752242.db2.gz NQPWZVAQPASVRT-GJZGRUSLSA-N -1 3 376.428 3.277 20 0 GGADHM COc1ccc([C@H](CNC(=O)NCc2ccccc2C(=O)[O-])N2CCCC2)cc1 ZINC000874382018 956121118 /nfs/dbraw/zinc/12/11/18/956121118.db2.gz HPPLQDDXXZCULN-FQEVSTJZSA-N -1 3 397.475 3.030 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NCc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC000874383804 956123821 /nfs/dbraw/zinc/12/38/21/956123821.db2.gz KQOUOZLEMKABTR-FQEVSTJZSA-N -1 3 399.491 3.276 20 0 GGADHM CC[C@H](CNC(=O)NCc1ccccc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000874386712 956129725 /nfs/dbraw/zinc/12/97/25/956129725.db2.gz DZGCYYUPFSUCML-LJQANCHMSA-N -1 3 381.476 3.021 20 0 GGADHM C[C@@H](NCC1(O)CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001589126478 956162160 /nfs/dbraw/zinc/16/21/60/956162160.db2.gz DFPGTELMWYTVSZ-SBTGLGLWSA-N -1 3 380.794 3.410 20 0 GGADHM C[C@H](NCC1(O)CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001589126479 956162658 /nfs/dbraw/zinc/16/26/58/956162658.db2.gz DFPGTELMWYTVSZ-YLTRJXTNSA-N -1 3 380.794 3.410 20 0 GGADHM CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410434 956184574 /nfs/dbraw/zinc/18/45/74/956184574.db2.gz ULIHXJSXBSFJDL-UHFFFAOYSA-N -1 3 383.492 3.091 20 0 GGADHM CCOC(=O)c1csc(CC2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)n1 ZINC000883411417 956239578 /nfs/dbraw/zinc/23/95/78/956239578.db2.gz XXRQNUPLEULJEB-UHFFFAOYSA-N -1 3 388.489 3.473 20 0 GGADHM CO[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccc(F)cc1 ZINC001593940972 956273043 /nfs/dbraw/zinc/27/30/43/956273043.db2.gz WJEGCNCVSWTYOX-YJBOKZPZSA-N -1 3 376.428 3.197 20 0 GGADHM CC1CCN([C@H](CNC(=O)C2(C(=O)[O-])CCSCC2)c2cccs2)CC1 ZINC000901797009 956472017 /nfs/dbraw/zinc/47/20/17/956472017.db2.gz XRRNIXRXACKQBF-OAHLLOKOSA-N -1 3 396.578 3.235 20 0 GGADHM CC1CCN([C@@H](CNC(=O)C2(C(=O)[O-])CCSCC2)c2cccs2)CC1 ZINC000901797008 956472466 /nfs/dbraw/zinc/47/24/66/956472466.db2.gz XRRNIXRXACKQBF-HNNXBMFYSA-N -1 3 396.578 3.235 20 0 GGADHM CC1CCN([C@H](CNC(=O)C2(C(=O)[O-])CCSCC2)c2ccccc2)CC1 ZINC000901918236 956539389 /nfs/dbraw/zinc/53/93/89/956539389.db2.gz WYLDIMJOSUPMPQ-GOSISDBHSA-N -1 3 390.549 3.174 20 0 GGADHM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000901922812 956545667 /nfs/dbraw/zinc/54/56/67/956545667.db2.gz WTUIVHDIRBPCKN-VURMDHGXSA-N -1 3 386.473 3.221 20 0 GGADHM CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000901950875 956563891 /nfs/dbraw/zinc/56/38/91/956563891.db2.gz RQDLXYSPDOVWTK-BZUAXINKSA-N -1 3 386.414 3.315 20 0 GGADHM CC1(C)CN(C2(CNC(=O)Nc3ccccc3C(=O)[O-])CCCCC2)CCO1 ZINC001589231427 956824437 /nfs/dbraw/zinc/82/44/37/956824437.db2.gz LXWPZDBEEUIXIX-UHFFFAOYSA-N -1 3 389.496 3.320 20 0 GGADHM COC(=O)C1CC2(C1)CN([C@H](C)c1ccccc1Br)C[C@H]2C(=O)[O-] ZINC000903415889 956844274 /nfs/dbraw/zinc/84/42/74/956844274.db2.gz MACRGPYORAMICG-YEJSZODPSA-N -1 3 396.281 3.096 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000903683270 956861318 /nfs/dbraw/zinc/86/13/18/956861318.db2.gz INQDIPJKPCDVOD-GFCCVEGCSA-N -1 3 398.406 3.356 20 0 GGADHM O=C([O-])c1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000903683271 956862312 /nfs/dbraw/zinc/86/23/12/956862312.db2.gz INQDIPJKPCDVOD-LBPRGKRZSA-N -1 3 398.406 3.356 20 0 GGADHM C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000903685492 956865826 /nfs/dbraw/zinc/86/58/26/956865826.db2.gz UPYIHPRCXHNGDX-CYBMUJFWSA-N -1 3 394.518 3.179 20 0 GGADHM O=C([O-])c1ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)s1 ZINC000903685641 956865851 /nfs/dbraw/zinc/86/58/51/956865851.db2.gz WSJMKBSTUWVDFR-HNNXBMFYSA-N -1 3 380.416 3.005 20 0 GGADHM O=C([O-])C1CCC(NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000903694094 956876175 /nfs/dbraw/zinc/87/61/75/956876175.db2.gz PJSSWHVAVCKMKA-UHFFFAOYSA-N -1 3 378.270 3.368 20 0 GGADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@@H]3C[C@H](O)c3ccco3)o2)CC1 ZINC000904196406 956924456 /nfs/dbraw/zinc/92/44/56/956924456.db2.gz YPHNTVQBZHLJHF-AEFFLSMTSA-N -1 3 388.464 3.262 20 0 GGADHM C[C@@]1(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)OCCc2sccc21 ZINC000904240691 956935926 /nfs/dbraw/zinc/93/59/26/956935926.db2.gz KMKPGHIRNIKVAH-FQEVSTJZSA-N -1 3 390.505 3.220 20 0 GGADHM C[C@]1(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)OCCc2ccccc21 ZINC001589247231 956940764 /nfs/dbraw/zinc/94/07/64/956940764.db2.gz RQXUTAFIYBOGSZ-JOCHJYFZSA-N -1 3 384.476 3.158 20 0 GGADHM CN(c1ccccc1)[C@H]1CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904254074 956945146 /nfs/dbraw/zinc/94/51/46/956945146.db2.gz UWYMNACBSJZCFY-IBGZPJMESA-N -1 3 383.492 3.291 20 0 GGADHM O=C([O-])CCc1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000909510992 957026491 /nfs/dbraw/zinc/02/64/91/957026491.db2.gz OXKGBLGDCVKFOK-UHFFFAOYSA-N -1 3 396.487 3.160 20 0 GGADHM Cc1cc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)cc1I ZINC000923249500 957106774 /nfs/dbraw/zinc/10/67/74/957106774.db2.gz MTXAOPQUHJMNIC-QMTHXVAHSA-N -1 3 387.261 3.451 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)N2CCCC2)cc1 ZINC001121809981 957207019 /nfs/dbraw/zinc/20/70/19/957207019.db2.gz BQZIVOAWZOLEPI-UYAOXDASSA-N -1 3 387.524 3.418 20 0 GGADHM CCc1ccc([C@H](CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001121810117 957207523 /nfs/dbraw/zinc/20/75/23/957207523.db2.gz QYQPJGUVWJKMHZ-RTWAWAEBSA-N -1 3 395.503 3.245 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001121898323 957226330 /nfs/dbraw/zinc/22/63/30/957226330.db2.gz WZBFSROZYXBERU-BSIFCXSSSA-N -1 3 393.487 3.043 20 0 GGADHM O=C([O-])[C@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC001121918634 957233186 /nfs/dbraw/zinc/23/31/86/957233186.db2.gz NUCJZFASLPYCRW-OKZBNKHCSA-N -1 3 399.516 3.497 20 0 GGADHM O=C([O-])c1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)s1 ZINC001574802839 957844205 /nfs/dbraw/zinc/84/42/05/957844205.db2.gz QVKBWJFJXJZETF-UHFFFAOYSA-N -1 3 398.282 3.053 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001339721593 957869825 /nfs/dbraw/zinc/86/98/25/957869825.db2.gz ABKAABNAIYODMR-YSGRDPCXSA-N -1 3 381.476 3.119 20 0 GGADHM O=C([O-])[C@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)Cc2ccccc21 ZINC001341224373 957949861 /nfs/dbraw/zinc/94/98/61/957949861.db2.gz FQFZZVNCXMGOBZ-LEWJYISDSA-N -1 3 393.487 3.217 20 0 GGADHM O=C([O-])[C@H]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)c2ccccc21 ZINC001341227165 957949902 /nfs/dbraw/zinc/94/99/02/957949902.db2.gz YSSSDKIRLUYARH-SFTDATJTSA-N -1 3 393.487 3.047 20 0 GGADHM C[C@@H]1[C@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001353015837 958136587 /nfs/dbraw/zinc/13/65/87/958136587.db2.gz RBJMWYKCAJVMHI-MAODMQOUSA-N -1 3 393.487 3.043 20 0 GGADHM CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001353155803 958151260 /nfs/dbraw/zinc/15/12/60/958151260.db2.gz MRNUDKDVGXDXCA-IOMROCGXSA-N -1 3 393.487 3.216 20 0 GGADHM C[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)N(C)Cc1ccccc1 ZINC001357173242 958190228 /nfs/dbraw/zinc/19/02/28/958190228.db2.gz OASGJBNLUZTJOZ-YSGRDPCXSA-N -1 3 381.476 3.119 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)C2=O)c1 ZINC001549035732 958245709 /nfs/dbraw/zinc/24/57/09/958245709.db2.gz FKNFPPLDTGFQRX-NSHGMRRFSA-N -1 3 396.462 3.430 20 0 GGADHM COc1ccc([C@@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N2CCCC2)cc1 ZINC001594081315 958270096 /nfs/dbraw/zinc/27/00/96/958270096.db2.gz ZZWXUTQGGAQRRX-HXUWFJFHSA-N -1 3 397.475 3.281 20 0 GGADHM COc1ccc(C[C@H]2CCN2Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594089101 958340832 /nfs/dbraw/zinc/34/08/32/958340832.db2.gz KKUDREARDSNDIJ-QZTJIDSGSA-N -1 3 384.476 3.406 20 0 GGADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@@H](c1ccccc1)N(C)C ZINC001603227041 972343971 /nfs/dbraw/zinc/34/39/71/972343971.db2.gz DZGZBXXVMILRAO-DVWBAYGPSA-N -1 3 395.503 3.188 20 0 GGADHM C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@H](c1ccccc1)N(C)C ZINC001603227044 972343977 /nfs/dbraw/zinc/34/39/77/972343977.db2.gz DZGZBXXVMILRAO-UMSONDCASA-N -1 3 395.503 3.188 20 0 GGADHM COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001594128305 958647625 /nfs/dbraw/zinc/64/76/25/958647625.db2.gz LHCVXWQSZDSSJL-UHFFFAOYSA-N -1 3 389.427 3.128 20 0 GGADHM COc1cccc(CN2CCC(NC(=O)c3cc(C)cc(C(=O)[O-])c3)CC2)c1 ZINC001594128521 958649778 /nfs/dbraw/zinc/64/97/78/958649778.db2.gz UCUJNQBYUQKJMY-UHFFFAOYSA-N -1 3 382.460 3.096 20 0 GGADHM COc1nsc(CNC[C@](C)(C(=O)[O-])c2ccccc2)c1Br ZINC001594160806 958888546 /nfs/dbraw/zinc/88/85/46/958888546.db2.gz BQOZFKHVAVAOIH-HNNXBMFYSA-N -1 3 385.283 3.046 20 0 GGADHM C[C@H](C(=O)N1CCSc2ccccc21)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588550920 959015800 /nfs/dbraw/zinc/01/58/00/959015800.db2.gz HMPKDHHWQKZRGA-BPQIPLTHSA-N -1 3 396.512 3.314 20 0 GGADHM CC(C)C[C@@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509489 959082654 /nfs/dbraw/zinc/08/26/54/959082654.db2.gz JDHUIKIHWKPFJO-DLBZAZTESA-N -1 3 382.451 3.007 20 0 GGADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509494 959083144 /nfs/dbraw/zinc/08/31/44/959083144.db2.gz JDHUIKIHWKPFJO-IRXDYDNUSA-N -1 3 382.451 3.007 20 0 GGADHM CC(C)N(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001573543647 959196053 /nfs/dbraw/zinc/19/60/53/959196053.db2.gz JYDHZOMWWGXLDL-HXUWFJFHSA-N -1 3 396.487 3.275 20 0 GGADHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594434715 959216057 /nfs/dbraw/zinc/21/60/57/959216057.db2.gz QHHMTTZIALCAJM-IPMKNSEASA-N -1 3 396.491 3.078 20 0 GGADHM CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000178902396 959433317 /nfs/dbraw/zinc/43/33/17/959433317.db2.gz QAYOUYOHLJFKNU-HXUWFJFHSA-N -1 3 396.487 3.021 20 0 GGADHM CC(C)([C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001588625294 959569995 /nfs/dbraw/zinc/56/99/95/959569995.db2.gz JEGAAONNEBJDGG-CPUCHLNUSA-N -1 3 380.435 3.107 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001588658813 960427260 /nfs/dbraw/zinc/42/72/60/960427260.db2.gz JMUUEOUJYWAUEJ-MRXNPFEDSA-N -1 3 387.249 3.298 20 0 GGADHM CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588669574 960500170 /nfs/dbraw/zinc/50/01/70/960500170.db2.gz MDWJHAIOWRATGS-UHFFFAOYSA-N -1 3 394.512 3.428 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CC[C@@H]21 ZINC001238234891 960631937 /nfs/dbraw/zinc/63/19/37/960631937.db2.gz ZEMCNFIQOOPQIH-PBHICJAKSA-N -1 3 378.444 3.355 20 0 GGADHM CC[C@H](C)N[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccco1 ZINC001573776105 960681418 /nfs/dbraw/zinc/68/14/18/960681418.db2.gz HLXTTWPOGGDSDR-KANFNMMFSA-N -1 3 399.491 3.219 20 0 GGADHM Cc1c2cc(Br)ccc2sc1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC001574296068 960694851 /nfs/dbraw/zinc/69/48/51/960694851.db2.gz CBAAPWBJUFVOOX-UHFFFAOYSA-N -1 3 399.310 3.061 20 0 GGADHM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC001573785735 960736214 /nfs/dbraw/zinc/73/62/14/960736214.db2.gz XNKYPEVJQZCDJE-SFHVURJKSA-N -1 3 398.507 3.468 20 0 GGADHM COc1cc(CN[C@@](C)(C(=O)[O-])c2ccccc2)cc(OC)c1OCC(F)F ZINC001262157964 960793483 /nfs/dbraw/zinc/79/34/83/960793483.db2.gz UHAYXJVYZISKFN-HXUWFJFHSA-N -1 3 395.402 3.437 20 0 GGADHM Cc1cc(C)c(CCNC(=O)CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(C)c1 ZINC001574322796 960835172 /nfs/dbraw/zinc/83/51/72/960835172.db2.gz VLODXJGIEYSTAT-FCHUYYIVSA-N -1 3 394.515 3.071 20 0 GGADHM O=C([O-])c1ccccc1CCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001262181824 960840379 /nfs/dbraw/zinc/84/03/79/960840379.db2.gz ZCXJCEJBZSHKRK-UHFFFAOYSA-N -1 3 398.425 3.239 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccsc1 ZINC001263061129 960858809 /nfs/dbraw/zinc/85/88/09/960858809.db2.gz HPOPSTFXFOWXRU-NVXWUHKLSA-N -1 3 381.542 3.417 20 0 GGADHM CC(C)(C)OC(=O)N[C@H]1CN(CCC2(C(=O)[O-])CCC2)CC[C@@H]1C(F)(F)F ZINC001588707393 960868388 /nfs/dbraw/zinc/86/83/88/960868388.db2.gz CYALAWREDGTONB-STQMWFEESA-N -1 3 394.434 3.409 20 0 GGADHM O=C([O-])[C@]1(NC(=O)[C@@H]2CCc3cc(F)ccc32)CCCN(Cc2ccccc2)C1 ZINC001263629716 960876686 /nfs/dbraw/zinc/87/66/86/960876686.db2.gz MAANNVGHTSOGRI-OFNKIYASSA-N -1 3 396.462 3.091 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263629093 960877312 /nfs/dbraw/zinc/87/73/12/960877312.db2.gz QRKHFXRLUWKHPO-NRFANRHFSA-N -1 3 386.879 3.498 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)Cc2ccc(Cl)s2)CCCN(Cc2ccccc2)C1 ZINC001263630059 960879205 /nfs/dbraw/zinc/87/92/05/960879205.db2.gz YYLKAHZXAOVMSN-LJQANCHMSA-N -1 3 392.908 3.180 20 0 GGADHM CC(C)(C)OC(=O)NCC12CCC(CC1)N2CCOc1ccccc1C(=O)[O-] ZINC001588714010 960933795 /nfs/dbraw/zinc/93/37/95/960933795.db2.gz BCNGFNLLXLDFRO-UHFFFAOYSA-N -1 3 390.480 3.285 20 0 GGADHM CCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C[C@@H](O)c1ccc(C)cc1 ZINC001573881785 961283173 /nfs/dbraw/zinc/28/31/73/961283173.db2.gz YHNBNZHLRXJBRN-AZUAARDMSA-N -1 3 386.492 3.445 20 0 GGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cccc3c[nH]nc31)CC2 ZINC001331968183 961447197 /nfs/dbraw/zinc/44/71/97/961447197.db2.gz ZGIUKHXLMGSWGR-QGZVFWFLSA-N -1 3 381.432 3.154 20 0 GGADHM CCOC(=O)c1sc2ccccc2c1CN1CCN(CCCC(=O)[O-])CC1 ZINC001573908474 961469359 /nfs/dbraw/zinc/46/93/59/961469359.db2.gz QBYUQBKGFUWFHX-UHFFFAOYSA-N -1 3 390.505 3.060 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588815362 961568093 /nfs/dbraw/zinc/56/80/93/961568093.db2.gz NPTUMHQRDVMXME-HXUWFJFHSA-N -1 3 384.476 3.036 20 0 GGADHM CC(C)[C@H](CNC(=O)NCCNC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588825693 961673759 /nfs/dbraw/zinc/67/37/59/961673759.db2.gz WQRNNWHGUKQGRW-IBGZPJMESA-N -1 3 383.492 3.022 20 0 GGADHM CC(C)[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(=O)OC(C)(C)C ZINC001588830518 961709481 /nfs/dbraw/zinc/70/94/81/961709481.db2.gz GEHSIYLFLYZVQH-NVXWUHKLSA-N -1 3 394.512 3.284 20 0 GGADHM CCCN1CCCC[C@@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001334980452 961865210 /nfs/dbraw/zinc/86/52/10/961865210.db2.gz UIJGULCNZNQSFM-PZJWPPBQSA-N -1 3 382.504 3.464 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000262893571 961967604 /nfs/dbraw/zinc/96/76/04/961967604.db2.gz CEXDJQBXPGUHQY-FQEVSTJZSA-N -1 3 381.476 3.239 20 0 GGADHM CC(C)C[C@H](CNCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001588858151 961973946 /nfs/dbraw/zinc/97/39/46/961973946.db2.gz HZEUPJUPAHFMPM-CYBMUJFWSA-N -1 3 397.541 3.273 20 0 GGADHM O=C([O-])c1ccccc1OCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001574557048 961996894 /nfs/dbraw/zinc/99/68/94/961996894.db2.gz YHCCUHJJAUKZME-KRWDZBQOSA-N -1 3 390.480 3.287 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC001574584617 962106602 /nfs/dbraw/zinc/10/66/02/962106602.db2.gz AKEMCYKYJIAVKB-ROUUACIJSA-N -1 3 388.414 3.086 20 0 GGADHM CC(C)(CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001341353035 962131867 /nfs/dbraw/zinc/13/18/67/962131867.db2.gz JIBCHLAKKLNPGP-QGZVFWFLSA-N -1 3 387.524 3.110 20 0 GGADHM CC[C@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001343020943 962153862 /nfs/dbraw/zinc/15/38/62/962153862.db2.gz LMGYLXIVLNDSBA-FXAWDEMLSA-N -1 3 387.524 3.110 20 0 GGADHM CC[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001344485362 962176070 /nfs/dbraw/zinc/17/60/70/962176070.db2.gz QUAMFZCYZSHEDP-OFNKIYASSA-N -1 3 380.488 3.416 20 0 GGADHM Cc1ccc2[nH]c(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cc2c1 ZINC001344473282 962177366 /nfs/dbraw/zinc/17/73/66/962177366.db2.gz NLQODGDMEVRIGV-QHCPKHFHSA-N -1 3 391.471 3.326 20 0 GGADHM CC(C)(CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)CC(F)F ZINC001344512690 962184065 /nfs/dbraw/zinc/18/40/65/962184065.db2.gz USHQMLKERWLFQA-HXUWFJFHSA-N -1 3 382.451 3.294 20 0 GGADHM O=C([O-])c1cc(C2CCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CC2)no1 ZINC001345132958 962237179 /nfs/dbraw/zinc/23/71/79/962237179.db2.gz HZNBFZGOBCBASZ-LJQANCHMSA-N -1 3 397.475 3.134 20 0 GGADHM O=C([O-])CC1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCC1 ZINC001345145754 962246095 /nfs/dbraw/zinc/24/60/95/962246095.db2.gz TZGNGIPSPGLSTE-QGZVFWFLSA-N -1 3 376.472 3.189 20 0 GGADHM C/C(=C/C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345729334 962274921 /nfs/dbraw/zinc/27/49/21/962274921.db2.gz JUYVCBGISNIJGV-NTOIIUQRSA-N -1 3 378.472 3.326 20 0 GGADHM CC(C)N(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001588912142 962323298 /nfs/dbraw/zinc/32/32/98/962323298.db2.gz BOYDBMGVHDDSOG-FQEVSTJZSA-N -1 3 396.487 3.275 20 0 GGADHM COC(=O)c1ccc(CN[C@H](Cc2ccccc2)C(=O)[O-])c(Br)c1 ZINC001574087248 962331044 /nfs/dbraw/zinc/33/10/44/962331044.db2.gz ISIGXCXGQDQVOX-MRXNPFEDSA-N -1 3 392.249 3.021 20 0 GGADHM Cc1ccc(SCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001347495195 962389161 /nfs/dbraw/zinc/38/91/61/962389161.db2.gz AORCMFVYNGPTCM-QFIPXVFZSA-N -1 3 398.528 3.323 20 0 GGADHM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347496175 962390267 /nfs/dbraw/zinc/39/02/67/962390267.db2.gz PKQVDOKSXODCCH-IOUNIBQOSA-N -1 3 396.462 3.465 20 0 GGADHM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC001574648599 962406031 /nfs/dbraw/zinc/40/60/31/962406031.db2.gz WDMFGGBXNLIFBH-QGZVFWFLSA-N -1 3 384.501 3.313 20 0 GGADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCNc3ccc4ccccc4n3)o2)C1 ZINC001574652086 962445999 /nfs/dbraw/zinc/44/59/99/962445999.db2.gz UHTZJWQWWDCSTB-QGZVFWFLSA-N -1 3 394.475 3.331 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN(CCCO)[C@@H]3CCc4ccccc43)o2)C1 ZINC001574652495 962453831 /nfs/dbraw/zinc/45/38/31/962453831.db2.gz ZENWJWQPQFIFRN-GHTZIAJQSA-N -1 3 398.503 3.453 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263371852 962529456 /nfs/dbraw/zinc/52/94/56/962529456.db2.gz NEEJTOXDSMPHTC-APWZRJJASA-N -1 3 381.904 3.229 20 0 GGADHM CCCN(C)[C@@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263371853 962530958 /nfs/dbraw/zinc/53/09/58/962530958.db2.gz NEEJTOXDSMPHTC-LPHOPBHVSA-N -1 3 381.904 3.229 20 0 GGADHM C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263380246 962537949 /nfs/dbraw/zinc/53/79/49/962537949.db2.gz BKOWZIWESGOTIS-HNNXBMFYSA-N -1 3 388.489 3.118 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)Cc2ccccc21 ZINC001356607221 962742946 /nfs/dbraw/zinc/74/29/46/962742946.db2.gz DRVAYLLGOLOVBF-TZIWHRDSSA-N -1 3 393.487 3.045 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)nc1 ZINC001517332287 962765841 /nfs/dbraw/zinc/76/58/41/962765841.db2.gz KOOUPPLEZBJMHH-QFIPXVFZSA-N -1 3 381.476 3.054 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)nc1 ZINC001517332285 962767510 /nfs/dbraw/zinc/76/75/10/962767510.db2.gz KOOUPPLEZBJMHH-JOCHJYFZSA-N -1 3 381.476 3.054 20 0 GGADHM Cc1ccccc1C[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001520151218 962813359 /nfs/dbraw/zinc/81/33/59/962813359.db2.gz NVEHNFNSQVTSRJ-CYFREDJKSA-N -1 3 394.515 3.409 20 0 GGADHM COc1cc(CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc(C(F)(F)F)c1 ZINC001574182179 962816938 /nfs/dbraw/zinc/81/69/38/962816938.db2.gz RAEIDSYJSSPVMT-ZIAGYGMSSA-N -1 3 397.397 3.138 20 0 GGADHM C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)[C@@H](c1ccccc1)N(C)C ZINC001521158342 962861376 /nfs/dbraw/zinc/86/13/76/962861376.db2.gz LHIZTCXDGWATFW-BEVDRBHNSA-N -1 3 381.476 3.071 20 0 GGADHM O=C([O-])[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC001549036256 962929661 /nfs/dbraw/zinc/92/96/61/962929661.db2.gz JUDLSKCQXTYYGR-QRVBRYPASA-N -1 3 384.863 3.246 20 0 GGADHM COc1ccnc(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1OC ZINC001549226529 962959418 /nfs/dbraw/zinc/95/94/18/962959418.db2.gz UNOVVOSDNWZVOP-LSDHHAIUSA-N -1 3 376.840 3.052 20 0 GGADHM O=C([O-])c1c(F)cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000312441996 963563305 /nfs/dbraw/zinc/56/33/05/963563305.db2.gz BQTWPFXBKLFCSK-CYBMUJFWSA-N -1 3 375.375 3.059 20 0 GGADHM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000263225411 967863789 /nfs/dbraw/zinc/86/37/89/967863789.db2.gz ZXURUGSEUPJYTP-SJLPKXTDSA-N -1 3 376.472 3.141 20 0 GGADHM O=C([O-])c1cccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000263406720 967889359 /nfs/dbraw/zinc/88/93/59/967889359.db2.gz KCDCOIMJTOEZHF-KRWDZBQOSA-N -1 3 390.386 3.271 20 0 GGADHM CC(C)C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000388560061 968155493 /nfs/dbraw/zinc/15/54/93/968155493.db2.gz ZIFODUUCYTYZCE-OALUTQOASA-N -1 3 375.513 3.039 20 0 GGADHM CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000388560063 968155773 /nfs/dbraw/zinc/15/57/73/968155773.db2.gz ZIFODUUCYTYZCE-RTBURBONSA-N -1 3 375.513 3.039 20 0 GGADHM CCC(CC)(CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)C(=O)[O-] ZINC000424400882 968362064 /nfs/dbraw/zinc/36/20/64/968362064.db2.gz WIARHYPTAAQXPG-INIZCTEOSA-N -1 3 381.542 3.201 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000532880886 968400486 /nfs/dbraw/zinc/40/04/86/968400486.db2.gz CYHASLCYKONDFV-KSFYIVLOSA-N -1 3 398.528 3.409 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC000563077263 968414939 /nfs/dbraw/zinc/41/49/39/968414939.db2.gz FZZLMGLOLBOMHE-DBVUQKKJSA-N -1 3 389.540 3.240 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC000563077265 968415063 /nfs/dbraw/zinc/41/50/63/968415063.db2.gz FZZLMGLOLBOMHE-VDGAXYAQSA-N -1 3 389.540 3.240 20 0 GGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000563123778 968415257 /nfs/dbraw/zinc/41/52/57/968415257.db2.gz GKVAZHJCHXEZQB-XLIONFOSSA-N -1 3 396.487 3.067 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000563123781 968415415 /nfs/dbraw/zinc/41/54/15/968415415.db2.gz GKVAZHJCHXEZQB-YLJYHZDGSA-N -1 3 396.487 3.067 20 0 GGADHM COC[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000575995296 968459204 /nfs/dbraw/zinc/45/92/04/968459204.db2.gz KCFIQARAIMPFEY-QGZVFWFLSA-N -1 3 384.354 3.284 20 0 GGADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000581949111 968475951 /nfs/dbraw/zinc/47/59/51/968475951.db2.gz OHOAYACTSUHSJE-GTNSWQLSSA-N -1 3 399.369 3.240 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c2cccs2)CC1 ZINC000626744960 968514553 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ICEJSAJRTZOQGY-VNHYZAJKSA-N -1 3 390.402 3.170 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC(C4CCOCC4)CC3)o2)C1 ZINC001605998554 973077906 /nfs/dbraw/zinc/07/79/06/973077906.db2.gz MJQKHKHWPFESSG-SFHVURJKSA-N -1 3 376.497 3.219 20 0 GGADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H](c3ccco3)N3CCCC3)o2)C1 ZINC001605999500 973086849 /nfs/dbraw/zinc/08/68/49/973086849.db2.gz UHUCABPFZCZBER-WMZOPIPTSA-N -1 3 387.480 3.100 20 0 GGADHM COC(=O)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)[O-])c(Br)c1 ZINC001604390946 973120843 /nfs/dbraw/zinc/12/08/43/973120843.db2.gz ISIGXCXGQDQVOX-INIZCTEOSA-N -1 3 392.249 3.021 20 0 GGADHM Cc1csc([C@@H]2CCN(Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380031 973335334 /nfs/dbraw/zinc/33/53/34/973335334.db2.gz ARCGJGLWXCCBAG-CABCVRRESA-N -1 3 375.494 3.335 20 0 GGADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605428942 973466901 /nfs/dbraw/zinc/46/69/01/973466901.db2.gz SIPVQOOZRDKTCY-JMARDNNUSA-N -1 3 389.883 3.336 20 0 GGADHM O=C([O-])CN1CC[C@H](N[C@@H](CCCCc2ccccc2)c2ccccc2)C1=O ZINC001606243968 973522020 /nfs/dbraw/zinc/52/20/20/973522020.db2.gz PGGJVWJLPJSUAN-SFTDATJTSA-N -1 3 380.488 3.416 20 0 GGADHM Cc1sc(C(=O)[O-])cc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404197196 973709009 /nfs/dbraw/zinc/70/90/09/973709009.db2.gz GEIRGONQNXRAOQ-MOPGFXCFSA-N -1 3 386.517 3.230 20 0 GGADHM O=C([O-])[C@@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC001606435030 973887082 /nfs/dbraw/zinc/88/70/82/973887082.db2.gz YAXSPCXOSQEEOT-BTELXILVSA-N -1 3 376.305 3.144 20 0 GGADHM NC(=O)COc1ccc(-c2ccc(CNCc3ccc(C(=O)[O-])s3)cc2)cc1 ZINC001605631901 973979771 /nfs/dbraw/zinc/97/97/71/973979771.db2.gz QJNGXLPROHIBRB-UHFFFAOYSA-N -1 3 396.468 3.267 20 0 GGADHM CCCC[C@@](C)(N[C@@H]1CCN(CC(=O)[O-])C1=O)c1cccc(Br)c1 ZINC001603640914 973986324 /nfs/dbraw/zinc/98/63/24/973986324.db2.gz LVYJLOZWLMTOMT-CRAIPNDOSA-N -1 3 397.313 3.130 20 0 GGADHM COc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC001604772450 973991807 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20 0 GGADHM CO[C@@H]1CCN(Cc2c(C)cc(C)nc2OCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000514798195 974292670 /nfs/dbraw/zinc/29/26/70/974292670.db2.gz GZEBOJHOHWUJPE-QUCCMNQESA-N -1 3 384.476 3.341 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C12CCC2 ZINC001603825689 974320923 /nfs/dbraw/zinc/32/09/23/974320923.db2.gz JPTOQQBMIQBHMT-KBAYOESNSA-N -1 3 376.497 3.360 20 0 GGADHM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000518991666 974326683 /nfs/dbraw/zinc/32/66/83/974326683.db2.gz WASVYHJWHTXONP-QGZVFWFLSA-N -1 3 379.378 3.365 20 0 GGADHM C[C@H](c1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1)C(F)(F)F ZINC000563290129 974529812 /nfs/dbraw/zinc/52/98/12/974529812.db2.gz QMZBUJIJLUOAFC-DOMZBBRYSA-N -1 3 382.386 3.479 20 0 GGADHM O=C([O-])c1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000566362821 974610810 /nfs/dbraw/zinc/61/08/10/974610810.db2.gz WVOQBNWMTLAUKO-GDBMZVCRSA-N -1 3 387.398 3.179 20 0 GGADHM COc1ccc([C@H](CNc2nc(C(=O)[O-])c(C)s2)N2CCCCC2)cc1 ZINC000567980825 974651354 /nfs/dbraw/zinc/65/13/54/974651354.db2.gz OOIZWDRVNNUTGH-INIZCTEOSA-N -1 3 375.494 3.219 20 0 GGADHM COc1ccc([C@@H](CNc2nc(C(=O)[O-])c(C)s2)N2CCCCC2)cc1 ZINC000567980826 974651381 /nfs/dbraw/zinc/65/13/81/974651381.db2.gz OOIZWDRVNNUTGH-MRXNPFEDSA-N -1 3 375.494 3.219 20 0 GGADHM COc1cc(-c2noc(CN3CC[C@@](C(=O)[O-])(c4ccccc4)C3)n2)ccc1C ZINC000568073873 974660709 /nfs/dbraw/zinc/66/07/09/974660709.db2.gz PAZBJDVHABZKJT-QFIPXVFZSA-N -1 3 393.443 3.282 20 0 GGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000571571469 974732706 /nfs/dbraw/zinc/73/27/06/974732706.db2.gz SZQAXAZOHDOPCZ-YOEHRIQHSA-N -1 3 396.270 3.245 20 0 GGADHM Cc1ccc(S(=O)(=O)c2ccc(CN(CC(=O)[O-])CC(C)C)cc2)cc1 ZINC000572127500 974742071 /nfs/dbraw/zinc/74/20/71/974742071.db2.gz GZGMJOJMUGABLX-UHFFFAOYSA-N -1 3 375.490 3.370 20 0 GGADHM CC[C@H](c1ccccc1)N(CCOc1cccc(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000574652625 974786943 /nfs/dbraw/zinc/78/69/43/974786943.db2.gz TVUGVVUYFWHAJD-LJQANCHMSA-N -1 3 391.489 3.007 20 0 GGADHM CC[C@H](c1ccccc1)N(CCCS(=O)(=O)c1ccccc1)CC(=O)[O-] ZINC000576173871 974810337 /nfs/dbraw/zinc/81/03/37/974810337.db2.gz FIJJBFFQUQZYRE-LJQANCHMSA-N -1 3 375.490 3.388 20 0 GGADHM CCc1ccc([C@@H]2CCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000576481000 974816109 /nfs/dbraw/zinc/81/61/09/974816109.db2.gz YCBQZNCVFGMQNB-HRAATJIYSA-N -1 3 380.488 3.441 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)nc1 ZINC000576642567 974819477 /nfs/dbraw/zinc/81/94/77/974819477.db2.gz FZFVPRNCRLOITO-HNNXBMFYSA-N -1 3 382.395 3.349 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000579365063 974875183 /nfs/dbraw/zinc/87/51/83/974875183.db2.gz KWRHHSUJNCRHRW-MRXNPFEDSA-N -1 3 398.478 3.483 20 0 GGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000579484905 974877072 /nfs/dbraw/zinc/87/70/72/974877072.db2.gz XSTGJGLJAATIOO-SFHVURJKSA-N -1 3 380.366 3.500 20 0 GGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000579484895 974877196 /nfs/dbraw/zinc/87/71/96/974877196.db2.gz XSTGJGLJAATIOO-GOSISDBHSA-N -1 3 380.366 3.500 20 0 GGADHM O=C([O-])c1cn([C@@H]2CCCN(CCCOc3cccc(C(F)(F)F)c3)C2)nn1 ZINC000579723469 974881970 /nfs/dbraw/zinc/88/19/70/974881970.db2.gz JJGHRMREZRHJDZ-CQSZACIVSA-N -1 3 398.385 3.101 20 0 GGADHM COc1ccccc1[C@@H](CNc1nc(C(=O)[O-])c(C)s1)N1CCCCC1 ZINC000580315313 974891564 /nfs/dbraw/zinc/89/15/64/974891564.db2.gz BWRHNPLBUZUACS-OAHLLOKOSA-N -1 3 375.494 3.219 20 0 GGADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582551582 974928104 /nfs/dbraw/zinc/92/81/04/974928104.db2.gz JLYFYVZNCNZMRF-WCQYABFASA-N -1 3 384.358 3.273 20 0 GGADHM CC1(C)CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000584785896 974958906 /nfs/dbraw/zinc/95/89/06/974958906.db2.gz SQDJWNXJWYLATQ-UKRRQHHQSA-N -1 3 375.387 3.035 20 0 GGADHM CC1(C)CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000584785897 974958971 /nfs/dbraw/zinc/95/89/71/974958971.db2.gz SQDJWNXJWYLATQ-ZFWWWQNUSA-N -1 3 375.387 3.035 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2cccs2)CC1 ZINC000626744958 975067710 /nfs/dbraw/zinc/06/77/10/975067710.db2.gz PRFZQIIGFMTAIX-GVDBMIGSSA-N -1 3 393.553 3.273 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000629364131 975084071 /nfs/dbraw/zinc/08/40/71/975084071.db2.gz SIPJTTUARVBKOX-UHFFFAOYSA-N -1 3 397.397 3.341 20 0 GGADHM CCOc1ccc(OCCN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000629367515 975085294 /nfs/dbraw/zinc/08/52/94/975085294.db2.gz NEODZVWEYSGTEH-UHFFFAOYSA-N -1 3 376.478 3.498 20 0 GGADHM Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)c2c1 ZINC000630226703 975174727 /nfs/dbraw/zinc/17/47/27/975174727.db2.gz DGKLZNALABZMCX-UHFFFAOYSA-N -1 3 381.476 3.042 20 0 GGADHM O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)s1 ZINC000630246356 975192830 /nfs/dbraw/zinc/19/28/30/975192830.db2.gz VULCVSJECYVEDK-QGZVFWFLSA-N -1 3 399.516 3.212 20 0 GGADHM O=C(CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)N[C@@H](c1ccccc1)C1CC1 ZINC000647369356 975358942 /nfs/dbraw/zinc/35/89/42/975358942.db2.gz KYRUVWGQZLBUIR-VWPQPMDRSA-N -1 3 378.472 3.054 20 0 GGADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCCn1ccnc1C)CC2 ZINC000652452761 975538453 /nfs/dbraw/zinc/53/84/53/975538453.db2.gz OSPRMXRDKXRTQM-SFHVURJKSA-N -1 3 387.480 3.063 20 0 GGADHM CC(C)OCCN1CCC(Nc2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001591724703 975672062 /nfs/dbraw/zinc/67/20/62/975672062.db2.gz GMMOEMQJPMMYJZ-UHFFFAOYSA-N -1 3 375.391 3.100 20 0 GGADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656764346 975694423 /nfs/dbraw/zinc/69/44/23/975694423.db2.gz XMAMUGZXMGXQIU-HKUYNNGSSA-N -1 3 388.489 3.027 20 0 GGADHM CC(C)Oc1c(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cccc1C(=O)[O-] ZINC001591746477 975784891 /nfs/dbraw/zinc/78/48/91/975784891.db2.gz IBYRXZFASQTNDA-QGZVFWFLSA-N -1 3 399.491 3.466 20 0 GGADHM CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659753462 975862623 /nfs/dbraw/zinc/86/26/23/975862623.db2.gz LQHSVNSJXXGNSM-XLIONFOSSA-N -1 3 396.487 3.448 20 0 GGADHM CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001591772665 975906733 /nfs/dbraw/zinc/90/67/33/975906733.db2.gz HOGKITLGCAKIPH-SCTDSRPQSA-N -1 3 376.497 3.084 20 0 GGADHM Cc1nn(C)c2ncc(CN[C@@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cc12 ZINC000663261568 975939319 /nfs/dbraw/zinc/93/93/19/975939319.db2.gz LJKJNZZRLBNWMR-OAHLLOKOSA-N -1 3 378.354 3.211 20 0 GGADHM CC(C)Oc1cccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC001591792327 975998332 /nfs/dbraw/zinc/99/83/32/975998332.db2.gz XZOKNWSDDKXMOG-GOSISDBHSA-N -1 3 392.496 3.370 20 0 GGADHM CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001591828488 976086922 /nfs/dbraw/zinc/08/69/22/976086922.db2.gz QUKYIHJNWCAMET-GFCCVEGCSA-N -1 3 385.917 3.321 20 0 GGADHM CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC001591829691 976094996 /nfs/dbraw/zinc/09/49/96/976094996.db2.gz YJJQVLAECJEPSI-OAHLLOKOSA-N -1 3 393.553 3.439 20 0 GGADHM CC(C)[C@@H](CO)NCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001591833157 976105388 /nfs/dbraw/zinc/10/53/88/976105388.db2.gz OYULNHFZDPJFFS-CQSZACIVSA-N -1 3 396.896 3.312 20 0 GGADHM CC(C)[C@H](NC(=O)CNC1(c2ccc(Br)cc2)CCCC1)C(=O)[O-] ZINC001591872013 976215274 /nfs/dbraw/zinc/21/52/74/976215274.db2.gz KVFLNSQLKBXYTG-INIZCTEOSA-N -1 3 397.313 3.033 20 0 GGADHM CC(C)c1[nH]c(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1C(=O)[O-] ZINC001591915752 976360073 /nfs/dbraw/zinc/36/00/73/976360073.db2.gz DKTHSJOGTJTHJC-QGZVFWFLSA-N -1 3 391.899 3.485 20 0 GGADHM CC(C)c1ccc([C@@H](NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949522 976507457 /nfs/dbraw/zinc/50/74/57/976507457.db2.gz WEQUHTVSLMMRMJ-MOPGFXCFSA-N -1 3 375.513 3.165 20 0 GGADHM CC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001591987801 976612097 /nfs/dbraw/zinc/61/20/97/976612097.db2.gz PXCHIZDKNFVUGJ-KSFYIVLOSA-N -1 3 388.508 3.295 20 0 GGADHM CC(C)n1cnnc1[C@H]1CCCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001592148086 977007277 /nfs/dbraw/zinc/00/72/77/977007277.db2.gz AYTQINCMYHQGLR-HKMNZKMDSA-N -1 3 384.480 3.215 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cc(Cl)cc2c1OCC2 ZINC001592268101 977520049 /nfs/dbraw/zinc/52/00/49/977520049.db2.gz JOXRGBKGVSHALT-GFCCVEGCSA-N -1 3 388.851 3.480 20 0 GGADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(OC(C)(C)C)nc1 ZINC001592268606 977524097 /nfs/dbraw/zinc/52/40/97/977524097.db2.gz NTLZSEARMWDTCB-AWEZNQCLSA-N -1 3 385.464 3.464 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cc2ccccc2[nH]c1=O ZINC001592270668 977539019 /nfs/dbraw/zinc/53/90/19/977539019.db2.gz ZUFFCTSMJYTMNQ-CYBMUJFWSA-N -1 3 379.416 3.146 20 0 GGADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC001592271356 977542938 /nfs/dbraw/zinc/54/29/38/977542938.db2.gz ZUZWCUCWXGKLQY-HUUCEWRRSA-N -1 3 384.480 3.449 20 0 GGADHM C[C@@](CC(=O)[O-])(NCc1ccc(I)cc1)c1cccnc1 ZINC001592328849 977749113 /nfs/dbraw/zinc/74/91/13/977749113.db2.gz NTGNPFVDAHDWNE-INIZCTEOSA-N -1 3 396.228 3.166 20 0 GGADHM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001592382114 977923469 /nfs/dbraw/zinc/92/34/69/977923469.db2.gz XRNRAOKHOMQODW-ORAYPTAESA-N -1 3 382.451 3.497 20 0 GGADHM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001592382113 977923806 /nfs/dbraw/zinc/92/38/06/977923806.db2.gz XRNRAOKHOMQODW-DJJJIMSYSA-N -1 3 382.451 3.497 20 0 GGADHM C[C@](CCF)([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C(=O)[O-] ZINC001592507701 978328139 /nfs/dbraw/zinc/32/81/39/978328139.db2.gz VJLMVQFWQWRITP-GOSISDBHSA-N -1 3 375.425 3.356 20 0 GGADHM Cc1cc(C(=O)[O-])c(NC(=O)CCCN2CCN(c3ccccc3)CC2)s1 ZINC000738205274 978500565 /nfs/dbraw/zinc/50/05/65/978500565.db2.gz LAHMUDWJFDABAZ-UHFFFAOYSA-N -1 3 387.505 3.296 20 0 GGADHM C[C@@H](CN(C)CCOc1ccc(C(=O)[O-])cc1Cl)NC(=O)OC(C)(C)C ZINC001592584451 978502644 /nfs/dbraw/zinc/50/26/44/978502644.db2.gz AYBYGZNMZQRHAF-LBPRGKRZSA-N -1 3 386.876 3.262 20 0 GGADHM CCC1CCC(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)(C(=O)[O-])CC1 ZINC000829112500 978994031 /nfs/dbraw/zinc/99/40/31/978994031.db2.gz MDFHANGMPSOXKA-UHFFFAOYSA-N -1 3 397.401 3.194 20 0 GGADHM CN(C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830582193 979019990 /nfs/dbraw/zinc/01/99/90/979019990.db2.gz ZLNRQYZELNBBRU-OALUTQOASA-N -1 3 383.492 3.441 20 0 GGADHM CN(C)[C@@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000830582196 979020074 /nfs/dbraw/zinc/02/00/74/979020074.db2.gz ZLNRQYZELNBBRU-RBUKOAKNSA-N -1 3 383.492 3.441 20 0 GGADHM O=C([O-])C1CC[NH+](CCCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000833137325 979091258 /nfs/dbraw/zinc/09/12/58/979091258.db2.gz FLAMMRZUYVLKNL-UHFFFAOYSA-N -1 3 398.459 3.101 20 0 GGADHM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833392653 979177537 /nfs/dbraw/zinc/17/75/37/979177537.db2.gz DHQYTWUSRFCCDE-OAQYLSRUSA-N -1 3 388.508 3.153 20 0 GGADHM C[C@@H](CN[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC001592706792 979179354 /nfs/dbraw/zinc/17/93/54/979179354.db2.gz NDEXMXOXFHAYJK-GWCFXTLKSA-N -1 3 392.374 3.214 20 0 GGADHM CC[C@@H](CC(F)(F)F)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001595039869 979218352 /nfs/dbraw/zinc/21/83/52/979218352.db2.gz WMVOOBKIJNFPQE-MAUKXSAKSA-N -1 3 386.414 3.201 20 0 GGADHM C[C@](CO)(Cc1ccccc1F)NCc1cc(C(=O)[O-])ccc1Br ZINC001592734544 979261996 /nfs/dbraw/zinc/26/19/96/979261996.db2.gz XXPNVYCXXIVXCG-GOSISDBHSA-N -1 3 396.256 3.370 20 0 GGADHM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001595049369 979271636 /nfs/dbraw/zinc/27/16/36/979271636.db2.gz AZLHEYZECMWJLB-INIZCTEOSA-N -1 3 382.451 3.294 20 0 GGADHM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000841771698 979308118 /nfs/dbraw/zinc/30/81/18/979308118.db2.gz WSJKQEFHFBFWAD-SFHVURJKSA-N -1 3 382.435 3.325 20 0 GGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000846243203 979419709 /nfs/dbraw/zinc/41/97/09/979419709.db2.gz DEUAZAUKWFDCGU-DLBZAZTESA-N -1 3 398.297 3.235 20 0 GGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000846243205 979420105 /nfs/dbraw/zinc/42/01/05/979420105.db2.gz DEUAZAUKWFDCGU-IRXDYDNUSA-N -1 3 398.297 3.235 20 0 GGADHM CCC(CC)[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cccs1 ZINC001595106565 979433967 /nfs/dbraw/zinc/43/39/67/979433967.db2.gz RCWKGPKCGFKTIK-INIZCTEOSA-N -1 3 381.542 3.416 20 0 GGADHM CCC(CC)[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1 ZINC001595107109 979438005 /nfs/dbraw/zinc/43/80/05/979438005.db2.gz ZJRMRFNUDGIZLH-SFHVURJKSA-N -1 3 375.513 3.354 20 0 GGADHM CCC(CC)[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001595109020 979439588 /nfs/dbraw/zinc/43/95/88/979439588.db2.gz BWZIZRZPQKTFDN-GOSISDBHSA-N -1 3 375.494 3.476 20 0 GGADHM O=C([O-])[C@H]1c2ccccc2CCN1C[C@@H](O)c1ccccc1Br ZINC000846275693 979443326 /nfs/dbraw/zinc/44/33/26/979443326.db2.gz UAFRBHWUTFYJLG-IAGOWNOFSA-N -1 3 376.250 3.167 20 0 GGADHM CCC(CC)CN(CC)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595111809 979460612 /nfs/dbraw/zinc/46/06/12/979460612.db2.gz XLTNNEZLKPURRM-UHFFFAOYSA-N -1 3 384.498 3.238 20 0 GGADHM C[C@@H](CN1CCC(n2cc(C(=O)[O-])nn2)CC1)c1cccc(Br)c1 ZINC000859815901 979646004 /nfs/dbraw/zinc/64/60/04/979646004.db2.gz YWVZHTKKDSLFNP-LBPRGKRZSA-N -1 3 393.285 3.179 20 0 GGADHM CC[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)N1CCc2ccccc2C1 ZINC001595152567 979647635 /nfs/dbraw/zinc/64/76/35/979647635.db2.gz MGGGNRJEDQHZJB-KRWDZBQOSA-N -1 3 385.439 3.482 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC000863310684 979659267 /nfs/dbraw/zinc/65/92/67/979659267.db2.gz NOMIFFIJMSWEEG-HNNXBMFYSA-N -1 3 376.478 3.268 20 0 GGADHM C[C@@H](Cc1ccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1)C(=O)[O-] ZINC001592868177 979718616 /nfs/dbraw/zinc/71/86/16/979718616.db2.gz VVDSSMQHHVBANT-JXFKEZNVSA-N -1 3 383.492 3.244 20 0 GGADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001592926071 979947189 /nfs/dbraw/zinc/94/71/89/979947189.db2.gz NSWCPXKTCGBOJQ-QFIPXVFZSA-N -1 3 395.507 3.059 20 0 GGADHM COc1ccc([C@@H](NCc2cc(OC)c(OC)cc2SC)C(=O)[O-])cc1 ZINC000871883644 979983711 /nfs/dbraw/zinc/98/37/11/979983711.db2.gz UCCBGPLITLRFER-GOSISDBHSA-N -1 3 377.462 3.350 20 0 GGADHM COc1ccccc1COC1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000901437851 980286529 /nfs/dbraw/zinc/28/65/29/980286529.db2.gz IYAVPBGMRCDKAS-UHFFFAOYSA-N -1 3 385.460 3.340 20 0 GGADHM C[C@H](NC(=O)CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001593026140 980287177 /nfs/dbraw/zinc/28/71/77/980287177.db2.gz RFFQWXZASPQOMV-BTYIYWSLSA-N -1 3 386.879 3.246 20 0 GGADHM O=C([O-])COc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000901439668 980288492 /nfs/dbraw/zinc/28/84/92/980288492.db2.gz WLCKKHIUXHAFMI-UHFFFAOYSA-N -1 3 383.370 3.202 20 0 GGADHM Cc1oc(C(=O)[O-])cc1CNCCC(=O)Nc1ccc(Br)cc1C ZINC000901444690 980292053 /nfs/dbraw/zinc/29/20/53/980292053.db2.gz ZYJLQDRTKSGZSX-UHFFFAOYSA-N -1 3 395.253 3.476 20 0 GGADHM CC[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1OCC(=O)NC ZINC001595277497 980306025 /nfs/dbraw/zinc/30/60/25/980306025.db2.gz VYDSMPDUBPXNAW-APWZRJJASA-N -1 3 390.867 3.331 20 0 GGADHM COc1cc(Br)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(OC)c1 ZINC000901501087 980319654 /nfs/dbraw/zinc/31/96/54/980319654.db2.gz RPGIQAHCSIIFEE-ZDUSSCGKSA-N -1 3 384.270 3.153 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595282113 980341034 /nfs/dbraw/zinc/34/10/34/980341034.db2.gz UXMQEOPFNCJQIZ-LIRRHRJNSA-N -1 3 390.505 3.437 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2c(c1)CCO2 ZINC000901527251 980353778 /nfs/dbraw/zinc/35/37/78/980353778.db2.gz CKLWFPUTXYIMOI-PZJWPPBQSA-N -1 3 383.444 3.095 20 0 GGADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901682025 980446379 /nfs/dbraw/zinc/44/63/79/980446379.db2.gz OGEFERSLJTYSMQ-FQEVSTJZSA-N -1 3 385.508 3.312 20 0 GGADHM CCOCCCN(Cc1cn2ccc(Br)cc2n1)C[C@@H](C)C(=O)[O-] ZINC000901682751 980447602 /nfs/dbraw/zinc/44/76/02/980447602.db2.gz UBSNCUGADQRNLC-CYBMUJFWSA-N -1 3 398.301 3.046 20 0 GGADHM O=C([O-])CC1(NCc2ncc(Br)cc2Br)CCCC1 ZINC000901685972 980449340 /nfs/dbraw/zinc/44/93/40/980449340.db2.gz BUYOXCVXGNKROR-UHFFFAOYSA-N -1 3 392.091 3.484 20 0 GGADHM COc1ccc([C@H](NCc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])cc1Cl ZINC000901846343 980569606 /nfs/dbraw/zinc/56/96/06/980569606.db2.gz BSXMIKMWJOEFGO-APWZRJJASA-N -1 3 391.851 3.432 20 0 GGADHM COc1ccc([C@H](NCc2cc(OC)c3c(c2)OCCO3)C(=O)[O-])cc1Cl ZINC000901846986 980570175 /nfs/dbraw/zinc/57/01/75/980570175.db2.gz DWRJGOXSRHIAQW-KRWDZBQOSA-N -1 3 393.823 3.044 20 0 GGADHM COc1ccc([C@@H](NCc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc1Cl ZINC000901848115 980571895 /nfs/dbraw/zinc/57/18/95/980571895.db2.gz LOHGYIZHWQLFEY-QGZVFWFLSA-N -1 3 395.839 3.290 20 0 GGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc2c1OCO2 ZINC000901848749 980573749 /nfs/dbraw/zinc/57/37/49/980573749.db2.gz NUPISHWOCRHWQT-MRXNPFEDSA-N -1 3 379.796 3.001 20 0 GGADHM C[C@@H](NCc1ncc(Br)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901871688 980584010 /nfs/dbraw/zinc/58/40/10/980584010.db2.gz FXHFPKGAWSOAGH-BXUZGUMPSA-N -1 3 381.245 3.405 20 0 GGADHM O=C([O-])[C@]12CN(Cc3cn(-c4ccc(F)cc4Cl)nn3)C[C@H]1CCCC2 ZINC000901912882 980625180 /nfs/dbraw/zinc/62/51/80/980625180.db2.gz XEHFRMAHNPZHKS-KZULUSFZSA-N -1 3 378.835 3.137 20 0 GGADHM COc1ccc(-c2nc(CN[C@H](C[C@H]3CCCOC3)C(=O)[O-])cs2)cc1 ZINC000901928777 980633966 /nfs/dbraw/zinc/63/39/66/980633966.db2.gz NPWYGMZJDKFEKX-CXAGYDPISA-N -1 3 376.478 3.178 20 0 GGADHM C[C@](CC(=O)[O-])(NCc1ncc(Br)cc1Br)C1CC1 ZINC000901949421 980645457 /nfs/dbraw/zinc/64/54/57/980645457.db2.gz FJFVEFQAWHKCES-CYBMUJFWSA-N -1 3 392.091 3.340 20 0 GGADHM C[C@@H](CN(Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1)C(=O)[O-] ZINC000901993938 980673834 /nfs/dbraw/zinc/67/38/34/980673834.db2.gz PFGSICROONLHMH-LBPRGKRZSA-N -1 3 378.270 3.320 20 0 GGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000902007067 980684801 /nfs/dbraw/zinc/68/48/01/980684801.db2.gz JHBWVUOJZPLQBX-ZENOOKHLSA-N -1 3 396.281 3.296 20 0 GGADHM CO[C@@H]1CCN(Cc2ccnc3c(Br)cccc23)[C@@H](C(=O)[O-])C1 ZINC000902029609 980699526 /nfs/dbraw/zinc/69/95/26/980699526.db2.gz MOGILAQYUAWZDF-IUODEOHRSA-N -1 3 379.254 3.061 20 0 GGADHM CO[C@H]1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@H](C(=O)[O-])C1 ZINC000902035223 980706365 /nfs/dbraw/zinc/70/63/65/980706365.db2.gz SDVXUJRKBJGVJL-IRXDYDNUSA-N -1 3 397.397 3.014 20 0 GGADHM CCNC(=O)c1ccc(CNCc2ccc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC000902102306 980735207 /nfs/dbraw/zinc/73/52/07/980735207.db2.gz AMMOSZHSIBNJMQ-UHFFFAOYSA-N -1 3 380.366 3.443 20 0 GGADHM CC[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccccc1OCC(=O)N(C)C ZINC000902118440 980743599 /nfs/dbraw/zinc/74/35/99/980743599.db2.gz JRZYZVUVBCPUBB-MRXNPFEDSA-N -1 3 376.478 3.154 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(OCCc2ccccc2)CC1 ZINC000902155089 980760681 /nfs/dbraw/zinc/76/06/81/980760681.db2.gz WBWGLIUXKMMEGE-UHFFFAOYSA-N -1 3 385.508 3.198 20 0 GGADHM CCCCNC(=O)C1(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)CCCCC1 ZINC000902210567 980784729 /nfs/dbraw/zinc/78/47/29/980784729.db2.gz MXZMCAAUYGTOSB-MRXNPFEDSA-N -1 3 376.497 3.247 20 0 GGADHM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)CCc1ccc(Br)cc1 ZINC000902219124 980787436 /nfs/dbraw/zinc/78/74/36/980787436.db2.gz LWUVFFITJSVJDW-UHFFFAOYSA-N -1 3 394.313 3.412 20 0 GGADHM CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC001595369067 980834349 /nfs/dbraw/zinc/83/43/49/980834349.db2.gz SYHSHNONQWHEDS-NRFANRHFSA-N -1 3 393.528 3.309 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1Cl ZINC000902386668 980865764 /nfs/dbraw/zinc/86/57/64/980865764.db2.gz BVVZUACJVDJPGR-SUMDDJOVSA-N -1 3 384.863 3.285 20 0 GGADHM CCC1(CC)[C@@H](NCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@@H]1OC ZINC001595372996 980868680 /nfs/dbraw/zinc/86/86/80/980868680.db2.gz AOLGXPDRVGCEDH-GJZGRUSLSA-N -1 3 394.537 3.447 20 0 GGADHM CCO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)[C@@H]1SC ZINC000902568684 980937470 /nfs/dbraw/zinc/93/74/70/980937470.db2.gz XKOLGEABGQZRJQ-GHYVTOPFSA-N -1 3 379.400 3.210 20 0 GGADHM COc1ccc2c(c1)C[C@@H](CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1)O2 ZINC000903602191 980983722 /nfs/dbraw/zinc/98/37/22/980983722.db2.gz PHVPRVKLKGSPGU-INIZCTEOSA-N -1 3 377.387 3.254 20 0 GGADHM Cc1nc(CC2CCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)no1 ZINC000903630598 981006186 /nfs/dbraw/zinc/00/61/86/981006186.db2.gz FYCLOQJCKYFQRW-INIZCTEOSA-N -1 3 383.370 3.477 20 0 GGADHM CCOC(=O)c1sc([C@@H]2CCN(Cc3ccc(C(=O)[O-])s3)C2)nc1C ZINC000903693625 981015408 /nfs/dbraw/zinc/01/54/08/981015408.db2.gz INMNOHXFTNCTDC-LLVKDONJSA-N -1 3 380.491 3.377 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)Cc1cncc(C(=O)[O-])c1 ZINC000903894087 981024641 /nfs/dbraw/zinc/02/46/41/981024641.db2.gz NZNAQPSKOAYTKW-UHFFFAOYSA-N -1 3 379.254 3.443 20 0 GGADHM O=C([O-])c1cnc([C@@H]2CCN(C[C@@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924036 981041009 /nfs/dbraw/zinc/04/10/09/981041009.db2.gz HASUHFAFQLBONJ-ZWNOBZJWSA-N -1 3 386.395 3.383 20 0 GGADHM O=C([O-])c1cccc(OCCN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000903944920 981070323 /nfs/dbraw/zinc/07/03/23/981070323.db2.gz PWDNEFKVXAFABP-CYBMUJFWSA-N -1 3 381.354 3.062 20 0 GGADHM COc1cc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)ccc1OC(F)F ZINC000903945031 981071226 /nfs/dbraw/zinc/07/12/26/981071226.db2.gz UOEMZOFCBIWSCS-RRFJBIMHSA-N -1 3 385.407 3.141 20 0 GGADHM O=C([O-])[C@H](NCc1cccc2c1CCOC2)c1cccc(Br)c1 ZINC000904000474 981079469 /nfs/dbraw/zinc/07/94/69/981079469.db2.gz TUDSLCRJWMYGSB-QGZVFWFLSA-N -1 3 376.250 3.437 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CN[C@@H](C(=O)[O-])c1cc(F)ccc1F)CC(F)F ZINC000904000435 981079652 /nfs/dbraw/zinc/07/96/52/981079652.db2.gz RESBICKMXFTIFC-QMTHXVAHSA-N -1 3 394.365 3.229 20 0 GGADHM Cc1nn(C)c(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1Cl ZINC000904031629 981082827 /nfs/dbraw/zinc/08/28/27/981082827.db2.gz JLKKVJMDDZQWBU-LBPRGKRZSA-N -1 3 391.777 3.066 20 0 GGADHM CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595445264 981091740 /nfs/dbraw/zinc/09/17/40/981091740.db2.gz XVMKKAGAVMGZHF-SUMWQHHRSA-N -1 3 376.453 3.011 20 0 GGADHM CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595445259 981092257 /nfs/dbraw/zinc/09/22/57/981092257.db2.gz XVMKKAGAVMGZHF-DYVFJYSZSA-N -1 3 376.453 3.011 20 0 GGADHM O=C([O-])c1cnc(CCNCc2cccc(F)c2OCC(F)(F)F)s1 ZINC000905730708 981129189 /nfs/dbraw/zinc/12/91/89/981129189.db2.gz OZYMYRKMJFKFDE-UHFFFAOYSA-N -1 3 378.347 3.254 20 0 GGADHM O=C([O-])c1cnc([C@@H]2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)s1 ZINC000905739116 981132501 /nfs/dbraw/zinc/13/25/01/981132501.db2.gz LRKKJRFPSNFVCQ-OAHLLOKOSA-N -1 3 386.452 3.215 20 0 GGADHM Cn1c(CNCCc2ncc(C(=O)[O-])s2)nc2cc(C(F)(F)F)ccc21 ZINC000905740322 981133663 /nfs/dbraw/zinc/13/36/63/981133663.db2.gz HSXJQAZBLUSXOL-UHFFFAOYSA-N -1 3 384.383 3.079 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775260 981149608 /nfs/dbraw/zinc/14/96/08/981149608.db2.gz LNJSCGPPKMDOQH-JSGCOSHPSA-N -1 3 395.381 3.337 20 0 GGADHM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC000907557238 981188046 /nfs/dbraw/zinc/18/80/46/981188046.db2.gz CLKUZGSWTBJQQI-GBXCKJPGSA-N -1 3 392.499 3.198 20 0 GGADHM CC(C)(CNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC000907557241 981188932 /nfs/dbraw/zinc/18/89/32/981188932.db2.gz CLKUZGSWTBJQQI-YKSBVNFPSA-N -1 3 392.499 3.198 20 0 GGADHM CC[C@H]1CN(C)CCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001595483801 981214820 /nfs/dbraw/zinc/21/48/20/981214820.db2.gz RDKZHEGQEKBMAD-ZDUSSCGKSA-N -1 3 397.306 3.403 20 0 GGADHM O=C([O-])[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000907791864 981220465 /nfs/dbraw/zinc/22/04/65/981220465.db2.gz YEIRZFIBDIZQOH-ZRCGQRJVSA-N -1 3 378.472 3.198 20 0 GGADHM CCc1ccc([C@H](CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)N(C)C)cc1 ZINC000907789697 981220487 /nfs/dbraw/zinc/22/04/87/981220487.db2.gz HXVJKBFGCDFFAB-ZRCGQRJVSA-N -1 3 380.488 3.226 20 0 GGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CCN1Cc1ccccc1 ZINC001595484449 981221904 /nfs/dbraw/zinc/22/19/04/981221904.db2.gz QWUPELGTGHXNEL-NHCUHLMSSA-N -1 3 396.487 3.195 20 0 GGADHM O=C([O-])[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000907801361 981223985 /nfs/dbraw/zinc/22/39/85/981223985.db2.gz XXEFAAKMQZFCKU-PQNGQFLHSA-N -1 3 392.499 3.416 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)[C@@]3(C(=O)[O-])C[C@@H]3c3ccccc3)c2)CC1 ZINC000907843390 981232261 /nfs/dbraw/zinc/23/22/61/981232261.db2.gz YEBKKUUKWDPOMV-NFBKMPQASA-N -1 3 393.487 3.026 20 0 GGADHM CCN1CCN(c2cccc(NC(=O)[C@@]3(C(=O)[O-])C[C@H]3c3ccccc3)c2)CC1 ZINC000907843391 981232353 /nfs/dbraw/zinc/23/23/53/981232353.db2.gz YEBKKUUKWDPOMV-NZQKXSOJSA-N -1 3 393.487 3.026 20 0 GGADHM O=C([O-])c1cccc2c1CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000907985793 981251813 /nfs/dbraw/zinc/25/18/13/981251813.db2.gz XIAPRAAESDOQKU-INIZCTEOSA-N -1 3 382.435 3.325 20 0 GGADHM CCCN(C(=O)c1cccc(C(=O)[O-])n1)C1CCN(Cc2ccccc2)CC1 ZINC000908091270 981260025 /nfs/dbraw/zinc/26/00/25/981260025.db2.gz KWKARKVQBINVHA-UHFFFAOYSA-N -1 3 381.476 3.297 20 0 GGADHM CCCN(C(=O)c1ccnc(C(=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000908090816 981260053 /nfs/dbraw/zinc/26/00/53/981260053.db2.gz DZKXABYPXWHKJX-UHFFFAOYSA-N -1 3 381.476 3.297 20 0 GGADHM CCCN(C(=O)c1cc(C(=O)[O-])ccn1)C1CCN(Cc2ccccc2)CC1 ZINC000908090487 981260268 /nfs/dbraw/zinc/26/02/68/981260268.db2.gz CGIWCNLXEABPLO-UHFFFAOYSA-N -1 3 381.476 3.297 20 0 GGADHM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908229059 981284938 /nfs/dbraw/zinc/28/49/38/981284938.db2.gz KXKMVRHIPVOBQJ-PZJWPPBQSA-N -1 3 398.478 3.240 20 0 GGADHM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000908379684 981311589 /nfs/dbraw/zinc/31/15/89/981311589.db2.gz YISPEPHHYULPSI-GJYPPUQNSA-N -1 3 398.425 3.201 20 0 GGADHM CC[C@@H](CNC(=O)c1ccccc1CCC(=O)[O-])N1CCc2ccccc2C1 ZINC000908720477 981346892 /nfs/dbraw/zinc/34/68/92/981346892.db2.gz MCJYFWRKEUQKLR-FQEVSTJZSA-N -1 3 380.488 3.271 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595529376 981362637 /nfs/dbraw/zinc/36/26/37/981362637.db2.gz OXJIONSEZIMILX-DYVFJYSZSA-N -1 3 386.414 3.459 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000908896015 981383556 /nfs/dbraw/zinc/38/35/56/981383556.db2.gz QSHLTWPTALTOHO-OAQYLSRUSA-N -1 3 378.472 3.324 20 0 GGADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000908899644 981385702 /nfs/dbraw/zinc/38/57/02/981385702.db2.gz WRJGKIRSMFMLFE-GOSISDBHSA-N -1 3 397.475 3.418 20 0 GGADHM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908900793 981385788 /nfs/dbraw/zinc/38/57/88/981385788.db2.gz LQJLQDMAJTUGIC-IBGZPJMESA-N -1 3 384.451 3.151 20 0 GGADHM O=C([O-])CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000909005369 981400637 /nfs/dbraw/zinc/40/06/37/981400637.db2.gz UQGZEXDAUYXNNW-KRWDZBQOSA-N -1 3 376.472 3.284 20 0 GGADHM O=C([O-])[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)Cc2ccccc21 ZINC000909423590 981490741 /nfs/dbraw/zinc/49/07/41/981490741.db2.gz JKMGHOILFGODTG-OAQYLSRUSA-N -1 3 378.472 3.497 20 0 GGADHM O=C([O-])c1ccc(OCCNC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000909441038 981493132 /nfs/dbraw/zinc/49/31/32/981493132.db2.gz VMNBKBJUKLURLJ-UHFFFAOYSA-N -1 3 382.460 3.180 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000909453604 981495980 /nfs/dbraw/zinc/49/59/80/981495980.db2.gz DJBXXMOJNRRSRW-UHFFFAOYSA-N -1 3 378.428 3.391 20 0 GGADHM COc1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)ccc1C(=O)[O-] ZINC000909730812 981583982 /nfs/dbraw/zinc/58/39/82/981583982.db2.gz HCQDGZXIPWMAHH-HNNXBMFYSA-N -1 3 386.423 3.383 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000909732417 981586047 /nfs/dbraw/zinc/58/60/47/981586047.db2.gz YLPHDWQSRCLXTM-UHFFFAOYSA-N -1 3 397.475 3.176 20 0 GGADHM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001594740651 981604179 /nfs/dbraw/zinc/60/41/79/981604179.db2.gz PVADHKFPCRLANH-LEWJYISDSA-N -1 3 395.503 3.186 20 0 GGADHM C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000909787706 981624142 /nfs/dbraw/zinc/62/41/42/981624142.db2.gz DRIXKVHZWQIDSH-MRXNPFEDSA-N -1 3 382.460 3.237 20 0 GGADHM C[C@@H](C(=O)N(CC(=O)[O-])Cc1cccc(Br)c1)N1CCCCCC1 ZINC000909806755 981634083 /nfs/dbraw/zinc/63/40/83/981634083.db2.gz PUSQAYGYNLWQTA-AWEZNQCLSA-N -1 3 397.313 3.127 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3cccc([C@@H](C)C(=O)[O-])c3)cc2)CC1 ZINC000909833673 981651560 /nfs/dbraw/zinc/65/15/60/981651560.db2.gz IORRHRTWDAPGGQ-MRXNPFEDSA-N -1 3 381.476 3.269 20 0 GGADHM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000909834288 981652110 /nfs/dbraw/zinc/65/21/10/981652110.db2.gz MKSXXYJGMYSQLT-GOSISDBHSA-N -1 3 395.503 3.416 20 0 GGADHM CCC[C@@]1(CO)CCCN1Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC001595618364 981665210 /nfs/dbraw/zinc/66/52/10/981665210.db2.gz UFAHWGGJHCHYMY-KRWDZBQOSA-N -1 3 386.286 3.283 20 0 GGADHM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000909864088 981688984 /nfs/dbraw/zinc/68/89/84/981688984.db2.gz YFNGZVYAIKFLJQ-HSZRJFAPSA-N -1 3 378.472 3.151 20 0 GGADHM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000909868426 981691247 /nfs/dbraw/zinc/69/12/47/981691247.db2.gz HQTRYHNFOJWAFH-GOSISDBHSA-N -1 3 396.462 3.321 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000909870042 981692671 /nfs/dbraw/zinc/69/26/71/981692671.db2.gz VRMOLRJCGLURFO-UHFFFAOYSA-N -1 3 378.428 3.391 20 0 GGADHM O=C([O-])c1occc1CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000909962620 981715862 /nfs/dbraw/zinc/71/58/62/981715862.db2.gz NWXGIXBLYPHNLE-GOSISDBHSA-N -1 3 396.365 3.049 20 0 GGADHM O=C([O-])[C@]12CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C[C@H]1CCCC2 ZINC000910151497 981766624 /nfs/dbraw/zinc/76/66/24/981766624.db2.gz GHIXZXIGVFEDGQ-JBYIUTFZSA-N -1 3 388.483 3.141 20 0 GGADHM C[C@@H]1CN(CCCCNc2nc(C(F)(F)F)ccc2C(=O)[O-])C[C@H](C)O1 ZINC000910286805 981841875 /nfs/dbraw/zinc/84/18/75/981841875.db2.gz DLSWTWZHFYPVKF-TXEJJXNPSA-N -1 3 375.391 3.100 20 0 GGADHM CCC(C)(C)N1CCN(C(=O)Nc2cccc(C(=O)[O-])c2Br)CC1 ZINC001594804448 981902098 /nfs/dbraw/zinc/90/20/98/981902098.db2.gz IETBBWUHVBBIFB-UHFFFAOYSA-N -1 3 398.301 3.485 20 0 GGADHM C[C@@H]1CN(CCC(=O)[O-])CCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC000910454464 981939906 /nfs/dbraw/zinc/93/99/06/981939906.db2.gz DECRQFQDCNIDEI-MRXNPFEDSA-N -1 3 376.460 3.282 20 0 GGADHM Cc1nc2sc3c(c2c(N2CCN(CCC(=O)[O-])C[C@@H]2C)n1)CC[C@@H](C)C3 ZINC000910459347 981943884 /nfs/dbraw/zinc/94/38/84/981943884.db2.gz YEZADTRTEIPFAP-OLZOCXBDSA-N -1 3 388.537 3.110 20 0 GGADHM CCCCCC[C@@](O)(CN1CCN(c2ccc3ccccc3n2)CC1)C(=O)[O-] ZINC001595696269 982225722 /nfs/dbraw/zinc/22/57/22/982225722.db2.gz DZEVCTGYEVHFBQ-JOCHJYFZSA-N -1 3 385.508 3.143 20 0 GGADHM Cc1cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc(C(=O)[O-])c1 ZINC000911074342 982227484 /nfs/dbraw/zinc/22/74/84/982227484.db2.gz WPNSPCYCQJBMRN-UHFFFAOYSA-N -1 3 381.476 3.234 20 0 GGADHM CCCCCC[C@](O)(CN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1)C(=O)[O-] ZINC001595696442 982228896 /nfs/dbraw/zinc/22/88/96/982228896.db2.gz IMBIBSZXYODLQK-YADHBBJMSA-N -1 3 389.492 3.273 20 0 GGADHM CCCCCC[C@@](O)(CN1CCC[C@]2(CC(=O)c3ccccc3O2)C1)C(=O)[O-] ZINC001595696439 982229055 /nfs/dbraw/zinc/22/90/55/982229055.db2.gz IMBIBSZXYODLQK-FCHUYYIVSA-N -1 3 389.492 3.273 20 0 GGADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C1CC1 ZINC001594880885 982232025 /nfs/dbraw/zinc/23/20/25/982232025.db2.gz GPSDCCONOFRYDH-OLZOCXBDSA-N -1 3 376.453 3.009 20 0 GGADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C1CC1 ZINC001594880884 982232212 /nfs/dbraw/zinc/23/22/12/982232212.db2.gz GPSDCCONOFRYDH-CHWSQXEVSA-N -1 3 376.453 3.009 20 0 GGADHM C[C@H](Sc1ccccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(=O)[O-] ZINC000911105329 982239816 /nfs/dbraw/zinc/23/98/16/982239816.db2.gz USRZUKZFIVGBOP-DOTOQJQBSA-N -1 3 386.517 3.155 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cccc(OC)c1 ZINC000911133092 982253020 /nfs/dbraw/zinc/25/30/20/982253020.db2.gz TYSIURNIXQXRKH-KSEUIEODSA-N -1 3 386.448 3.199 20 0 GGADHM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000911165422 982263981 /nfs/dbraw/zinc/26/39/81/982263981.db2.gz JSDVERZSYIBOKA-NRFANRHFSA-N -1 3 380.488 3.440 20 0 GGADHM O=C([O-])c1cn(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c2ccccc12 ZINC000911221171 982290613 /nfs/dbraw/zinc/29/06/13/982290613.db2.gz QOHGAOHOHBCVCZ-SFHVURJKSA-N -1 3 391.471 3.120 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911239320 982307668 /nfs/dbraw/zinc/30/76/68/982307668.db2.gz ZFBPONVQNWVVCM-UHFFFAOYSA-N -1 3 378.831 3.381 20 0 GGADHM CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911240222 982309792 /nfs/dbraw/zinc/30/97/92/982309792.db2.gz UNBVUTGOHPQTJV-KRWDZBQOSA-N -1 3 385.439 3.046 20 0 GGADHM O=C([O-])C1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC2(CCC2)C1 ZINC000911323062 982346531 /nfs/dbraw/zinc/34/65/31/982346531.db2.gz PKGSRIUGEZEWSC-UHFFFAOYSA-N -1 3 388.533 3.252 20 0 GGADHM CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911324084 982347917 /nfs/dbraw/zinc/34/79/17/982347917.db2.gz RUVYKSQMNFJICU-LUJNMSEFSA-N -1 3 398.459 3.210 20 0 GGADHM CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911324082 982348698 /nfs/dbraw/zinc/34/86/98/982348698.db2.gz RUVYKSQMNFJICU-DPCFLFMUSA-N -1 3 398.459 3.210 20 0 GGADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN(C)CC(C)(C)C ZINC000911329319 982353656 /nfs/dbraw/zinc/35/36/56/982353656.db2.gz OBRAEUVFYCIBBF-OAHLLOKOSA-N -1 3 387.480 3.441 20 0 GGADHM O=C([O-])CCc1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000911329881 982353857 /nfs/dbraw/zinc/35/38/57/982353857.db2.gz PRVBBUZZMVADTL-UHFFFAOYSA-N -1 3 396.487 3.160 20 0 GGADHM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000911330910 982355145 /nfs/dbraw/zinc/35/51/45/982355145.db2.gz UALUXARULYMDMU-UHFFFAOYSA-N -1 3 382.460 3.150 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1 ZINC000911342898 982368053 /nfs/dbraw/zinc/36/80/53/982368053.db2.gz HYQYBNBQQCLBMQ-UHFFFAOYSA-N -1 3 393.487 3.307 20 0 GGADHM CCCCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ncsc2C1 ZINC001595741079 982400142 /nfs/dbraw/zinc/40/01/42/982400142.db2.gz BDNBOUWQKRQHAB-INIZCTEOSA-N -1 3 387.505 3.439 20 0 GGADHM C[C@H]1[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCN1Cc1ccccc1 ZINC000911384541 982407098 /nfs/dbraw/zinc/40/70/98/982407098.db2.gz CZUNGALDEHMBJE-JXFKEZNVSA-N -1 3 391.471 3.119 20 0 GGADHM CCCN(CCN1CCCCC1)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911422932 982426113 /nfs/dbraw/zinc/42/61/13/982426113.db2.gz FAYYNIMOJCLXNT-UHFFFAOYSA-N -1 3 397.313 3.485 20 0 GGADHM CCCCNC(=O)[C@@H]1CCCN([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756065 982453496 /nfs/dbraw/zinc/45/34/96/982453496.db2.gz QOTLWQNHQSTYMU-CJNGLKHVSA-N -1 3 397.313 3.203 20 0 GGADHM CC1(C)CN(C(=O)CCSCC(=O)[O-])C(C)(C)CN1Cc1ccccc1 ZINC000911501124 982459288 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379.460 3.216 20 0 GGADHM C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000911547710 982492274 /nfs/dbraw/zinc/49/22/74/982492274.db2.gz YJYRPUYSGUNVFS-QKKBWIMNSA-N -1 3 379.460 3.216 20 0 GGADHM CCCCO[C@@H]1C[C@@H](N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1(C)C ZINC001595770734 982511668 /nfs/dbraw/zinc/51/16/68/982511668.db2.gz MGKWYMBQERRXIS-RRFJBIMHSA-N -1 3 380.510 3.125 20 0 GGADHM CCCCO[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1(C)C ZINC001595770732 982512327 /nfs/dbraw/zinc/51/23/27/982512327.db2.gz MGKWYMBQERRXIS-QLFBSQMISA-N -1 3 380.510 3.125 20 0 GGADHM CS[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@@H]1N(C)C ZINC000911602663 982534540 /nfs/dbraw/zinc/53/45/40/982534540.db2.gz KICJCLASGVQBTG-OALUTQOASA-N -1 3 384.501 3.169 20 0 GGADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931822 982570459 /nfs/dbraw/zinc/57/04/59/982570459.db2.gz XJKJPCBXHMMULT-IERDGZPVSA-N -1 3 384.524 3.159 20 0 GGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000911653451 982583909 /nfs/dbraw/zinc/58/39/09/982583909.db2.gz CTGIDCSEFDBNPA-HXUWFJFHSA-N -1 3 382.460 3.269 20 0 GGADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000911653450 982584235 /nfs/dbraw/zinc/58/42/35/982584235.db2.gz CTGIDCSEFDBNPA-FQEVSTJZSA-N -1 3 382.460 3.269 20 0 GGADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000911656306 982586344 /nfs/dbraw/zinc/58/63/44/982586344.db2.gz WZGZMVXBYSVHTR-OAQYLSRUSA-N -1 3 396.487 3.279 20 0 GGADHM Cc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1C(=O)[O-] ZINC000911669877 982596308 /nfs/dbraw/zinc/59/63/08/982596308.db2.gz OZXFGNDJKFMJRT-UHFFFAOYSA-N -1 3 384.398 3.228 20 0 GGADHM O=C([O-])c1ccccc1CCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000911689757 982602384 /nfs/dbraw/zinc/60/23/84/982602384.db2.gz PTOQOXDLXSSVCZ-UHFFFAOYSA-N -1 3 389.455 3.214 20 0 GGADHM CC(C)Oc1c(NC(=O)CC2(N3CCOCC3)CCCC2)cccc1C(=O)[O-] ZINC000911738729 982621293 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399.495 3.027 20 0 GGADHM CCCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)[C@H]1CCN(C)C1 ZINC001595823310 982697686 /nfs/dbraw/zinc/69/76/86/982697686.db2.gz TYEFYLQSVASKEK-HNNXBMFYSA-N -1 3 385.464 3.251 20 0 GGADHM CCCN(C)[C@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001595837041 982745530 /nfs/dbraw/zinc/74/55/30/982745530.db2.gz RIDWGXPSDMBMNU-QGZVFWFLSA-N -1 3 375.856 3.246 20 0 GGADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595837097 982746328 /nfs/dbraw/zinc/74/63/28/982746328.db2.gz UQJWPYMXIDCFIG-IAGOWNOFSA-N -1 3 381.904 3.372 20 0 GGADHM CC[C@H](C)N1CCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)CC1 ZINC001594987817 982827841 /nfs/dbraw/zinc/82/78/41/982827841.db2.gz SNSUGFPIXFQXSG-LBPRGKRZSA-N -1 3 385.302 3.072 20 0 GGADHM O=C([O-])[C@@H]1CN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1C1CC1 ZINC000923528629 982856661 /nfs/dbraw/zinc/85/66/61/982856661.db2.gz GVAJTWCFMVIEOZ-VQTJNVASSA-N -1 3 385.508 3.048 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923532185 982864271 /nfs/dbraw/zinc/86/42/71/982864271.db2.gz NXBQMDNNZYNTIE-FPMFFAJLSA-N -1 3 380.872 3.027 20 0 GGADHM CCCN(CCNCc1ccccc1O[C@@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001595882013 982891864 /nfs/dbraw/zinc/89/18/64/982891864.db2.gz BAHASZSTNIBPAC-HNNXBMFYSA-N -1 3 380.485 3.275 20 0 GGADHM COc1ccc(-c2n[nH]cc2CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001119536800 982983628 /nfs/dbraw/zinc/98/36/28/982983628.db2.gz RAKHFULDXDVXJV-OCCSQVGLSA-N -1 3 383.370 3.170 20 0 GGADHM CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596208373 983598004 /nfs/dbraw/zinc/59/80/04/983598004.db2.gz SQSBZWBJQWUGAU-FQEVSTJZSA-N -1 3 395.503 3.228 20 0 GGADHM CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001596228957 983620789 /nfs/dbraw/zinc/62/07/89/983620789.db2.gz YONUEBPHYKSCAJ-WMZOPIPTSA-N -1 3 383.492 3.361 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001596235220 983628652 /nfs/dbraw/zinc/62/86/52/983628652.db2.gz FTGCZSQNWINBEG-AWEZNQCLSA-N -1 3 390.377 3.147 20 0 GGADHM CCN(CC)C(=O)c1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001596251875 983656684 /nfs/dbraw/zinc/65/66/84/983656684.db2.gz PYDFVGYUBCBKPY-UHFFFAOYSA-N -1 3 383.492 3.294 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccsc1 ZINC001596254686 983664418 /nfs/dbraw/zinc/66/44/18/983664418.db2.gz XNQYALSHYKPWQR-AAEUAGOBSA-N -1 3 396.538 3.346 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccsc1 ZINC001596254689 983664599 /nfs/dbraw/zinc/66/45/99/983664599.db2.gz XNQYALSHYKPWQR-YPMHNXCESA-N -1 3 396.538 3.346 20 0 GGADHM CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001596277228 983697916 /nfs/dbraw/zinc/69/79/16/983697916.db2.gz BQTYCRWPQXBBSX-UHFFFAOYSA-N -1 3 376.478 3.336 20 0 GGADHM CCN(CCC(=O)[O-])CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001596314427 983742757 /nfs/dbraw/zinc/74/27/57/983742757.db2.gz QQCRAQBVTMBNSY-IBGZPJMESA-N -1 3 393.487 3.213 20 0 GGADHM CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001596326564 983759792 /nfs/dbraw/zinc/75/97/92/983759792.db2.gz HHSBRVZIDMCHIS-UHFFFAOYSA-N -1 3 390.505 3.035 20 0 GGADHM CCN(CCCN1CCCC1)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001596327276 983762580 /nfs/dbraw/zinc/76/25/80/983762580.db2.gz WHUDKCVTFMXFSX-UHFFFAOYSA-N -1 3 390.505 3.035 20 0 GGADHM CCN(Cc1cc(C(=O)[O-])no1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001596356228 983824667 /nfs/dbraw/zinc/82/46/67/983824667.db2.gz MNYYURGKYOZWIN-UHFFFAOYSA-N -1 3 387.484 3.086 20 0 GGADHM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)CC1CCN(c2ccccn2)CC1 ZINC001596377502 983885623 /nfs/dbraw/zinc/88/56/23/983885623.db2.gz BRNVTEXONSTCQD-UHFFFAOYSA-N -1 3 393.491 3.395 20 0 GGADHM CCN1CC[C@@H](N(C)S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C[C@H]1C ZINC001596407220 983975861 /nfs/dbraw/zinc/97/58/61/983975861.db2.gz BGXCUAWMIXPFTA-RHSMWYFYSA-N -1 3 390.505 3.031 20 0 GGADHM CCNC(=O)C[C@@H]1CCCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC001596456746 984164585 /nfs/dbraw/zinc/16/45/85/984164585.db2.gz ABMYIQINQOEVHH-AWEZNQCLSA-N -1 3 383.286 3.028 20 0 GGADHM CCOC(=O)[C@@]1(C(C)C)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001596551132 984411855 /nfs/dbraw/zinc/41/18/55/984411855.db2.gz FSLDKZPFEVDDPX-IBGZPJMESA-N -1 3 383.872 3.328 20 0 GGADHM CCOC(=O)N1CCC([C@@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001596644117 984647807 /nfs/dbraw/zinc/64/78/07/984647807.db2.gz FQEATAORYGLMKW-BZNIZROVSA-N -1 3 386.851 3.451 20 0 GGADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001599890755 984690957 /nfs/dbraw/zinc/69/09/57/984690957.db2.gz BHNVENWFRAGVOR-GFCCVEGCSA-N -1 3 376.844 3.075 20 0 GGADHM C/C(=C/CN1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959410 984724193 /nfs/dbraw/zinc/72/41/93/984724193.db2.gz YJQSTHRIQKMILQ-JUPNIWIKSA-N -1 3 380.407 3.042 20 0 GGADHM CCOC(=O)c1cc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)[nH]c1C ZINC001596707792 984918910 /nfs/dbraw/zinc/91/89/10/984918910.db2.gz ZMPCYUOBOANOCK-OAHLLOKOSA-N -1 3 384.354 3.434 20 0 GGADHM CCOC(=O)c1ccn(-c2cccc(CNCc3ccc(C(=O)[O-])c(F)c3)c2)n1 ZINC001596731699 985000754 /nfs/dbraw/zinc/00/07/54/985000754.db2.gz CRCQZWBBEMTPDC-UHFFFAOYSA-N -1 3 397.406 3.176 20 0 GGADHM CCOC(=O)c1ccn(-c2cccc(CN[C@H](C(=O)[O-])c3ccsc3)c2)n1 ZINC001596731741 985002377 /nfs/dbraw/zinc/00/23/77/985002377.db2.gz FZSOTLSCXNPMDM-KRWDZBQOSA-N -1 3 385.445 3.026 20 0 GGADHM CCOC(=O)c1cnn(C2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001596740653 985052382 /nfs/dbraw/zinc/05/23/82/985052382.db2.gz UXGYNSXINCDQSE-QGZVFWFLSA-N -1 3 391.855 3.176 20 0 GGADHM CCOC(=O)c1sc([C@H]2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756586 985136024 /nfs/dbraw/zinc/13/60/24/985136024.db2.gz WICLGASOCDPZLQ-RYUDHWBXSA-N -1 3 378.450 3.470 20 0 GGADHM CCOC(=O)c1sc([C@@H]2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756584 985136480 /nfs/dbraw/zinc/13/64/80/985136480.db2.gz WICLGASOCDPZLQ-NWDGAFQWSA-N -1 3 378.450 3.470 20 0 GGADHM C[C@@H]1CN(CCN(C)[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC001599929582 985285037 /nfs/dbraw/zinc/28/50/37/985285037.db2.gz FXQGEJVTCCNXRZ-OZVIIMIRSA-N -1 3 375.296 3.160 20 0 GGADHM C[C@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001599937396 985412500 /nfs/dbraw/zinc/41/25/00/985412500.db2.gz OPCCJONVDLGLGD-ATVPRXPUSA-N -1 3 385.382 3.413 20 0 GGADHM CC(=O)NCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001589146131 985463479 /nfs/dbraw/zinc/46/34/79/985463479.db2.gz VFXYPSNSARTBOP-QGZVFWFLSA-N -1 3 380.366 3.257 20 0 GGADHM CCO[C@@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCCC2 ZINC001596833885 985471876 /nfs/dbraw/zinc/47/18/76/985471876.db2.gz RNGKICJYKOFISV-UONOGXRCSA-N -1 3 380.510 3.329 20 0 GGADHM Cc1[nH]c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)cc1C(=O)[O-] ZINC001599961837 985796858 /nfs/dbraw/zinc/79/68/58/985796858.db2.gz JQJJJPCVSGZDLP-GUTXKFCHSA-N -1 3 379.501 3.393 20 0 GGADHM Cc1[nH]c(CN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C(=O)[O-] ZINC001599964326 985869094 /nfs/dbraw/zinc/86/90/94/985869094.db2.gz XYIDSQJEFDFJFC-MRXNPFEDSA-N -1 3 391.512 3.490 20 0 GGADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001589249366 985869838 /nfs/dbraw/zinc/86/98/38/985869838.db2.gz PWNRYBNHGBDSJQ-YEWWUXTCSA-N -1 3 384.476 3.327 20 0 GGADHM C[C@@H]1CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532100 986129120 /nfs/dbraw/zinc/12/91/20/986129120.db2.gz TYXXQMVWMQJFQG-VSRDTVRMSA-N -1 3 380.488 3.370 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542935 986190882 /nfs/dbraw/zinc/19/08/82/986190882.db2.gz WGTIXAFJYBYKCK-SJCJKPOMSA-N -1 3 389.402 3.305 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542934 986191308 /nfs/dbraw/zinc/19/13/08/986191308.db2.gz WGTIXAFJYBYKCK-PXAZEXFGSA-N -1 3 389.402 3.305 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542937 986191642 /nfs/dbraw/zinc/19/16/42/986191642.db2.gz WGTIXAFJYBYKCK-YVEFUNNKSA-N -1 3 389.402 3.305 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN([C@@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543908 986195526 /nfs/dbraw/zinc/19/55/26/986195526.db2.gz CPTRPAKDJYVSJX-OAOOKAIFSA-N -1 3 398.478 3.317 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543821 986196185 /nfs/dbraw/zinc/19/61/85/986196185.db2.gz BQJXAXLODJATCW-GAJHUEQPSA-N -1 3 398.478 3.389 20 0 GGADHM C[C@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)CN1C ZINC001594547059 986220040 /nfs/dbraw/zinc/22/00/40/986220040.db2.gz DVIJAOZPBMAZOS-RYUDHWBXSA-N -1 3 397.306 3.402 20 0 GGADHM C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594548413 986238195 /nfs/dbraw/zinc/23/81/95/986238195.db2.gz ULBACGZACXSVJD-HOTGVXAUSA-N -1 3 378.476 3.356 20 0 GGADHM CCO[C@H]1CCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001596986272 986246188 /nfs/dbraw/zinc/24/61/88/986246188.db2.gz IGMIUDPDZYPHEQ-HNNXBMFYSA-N -1 3 375.421 3.176 20 0 GGADHM CCO[C@]12CCC[C@@]1(NCc1ccc(C(=O)[O-])c(Br)c1)CCO2 ZINC001596986688 986253718 /nfs/dbraw/zinc/25/37/18/986253718.db2.gz FMGBVMPAJQCYOS-SJORKVTESA-N -1 3 384.270 3.313 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001589349106 986298650 /nfs/dbraw/zinc/29/86/50/986298650.db2.gz FCXKFONAVRCQFI-OAHLLOKOSA-N -1 3 392.927 3.306 20 0 GGADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349331 986299524 /nfs/dbraw/zinc/29/95/24/986299524.db2.gz GDMATJSWCFLUIY-CJNGLKHVSA-N -1 3 398.425 3.206 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC001594570642 986394346 /nfs/dbraw/zinc/39/43/46/986394346.db2.gz SQNMNGXLENIKTP-QRWLVFNGSA-N -1 3 388.895 3.152 20 0 GGADHM CCOc1cc(CN[C@@H]2C[C@]2(C)OC)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597035905 986473377 /nfs/dbraw/zinc/47/33/77/986473377.db2.gz PSVPJIHYAHRGNP-QUCCMNQESA-N -1 3 375.421 3.223 20 0 GGADHM CCOc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)cc(Br)c1O ZINC001597036223 986475853 /nfs/dbraw/zinc/47/58/53/986475853.db2.gz XJZBONYQIAEEPN-UHFFFAOYSA-N -1 3 397.269 3.188 20 0 GGADHM CCOc1ccc([C@H](O)C2CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)cc1 ZINC001597075015 986604381 /nfs/dbraw/zinc/60/43/81/986604381.db2.gz ZASPRJURYDGPNJ-QHCPKHFHSA-N -1 3 399.487 3.494 20 0 GGADHM C[C@H](C(=O)NCc1ccccc1CC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC001589415450 986646205 /nfs/dbraw/zinc/64/62/05/986646205.db2.gz MTQIEWXRQWFBST-GOSISDBHSA-N -1 3 394.515 3.273 20 0 GGADHM CCOc1ccc(C[C@H](CNCc2ccc(C(=O)[O-])cc2F)C(=O)OC)cc1 ZINC001597094779 986683033 /nfs/dbraw/zinc/68/30/33/986683033.db2.gz HRHPTUMYGKORQF-QGZVFWFLSA-N -1 3 389.423 3.044 20 0 GGADHM C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589438114 986761071 /nfs/dbraw/zinc/76/10/71/986761071.db2.gz KCACZVIGAODPOB-VXGBXAGGSA-N -1 3 398.406 3.158 20 0 GGADHM C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589438111 986761123 /nfs/dbraw/zinc/76/11/23/986761123.db2.gz KCACZVIGAODPOB-NWDGAFQWSA-N -1 3 398.406 3.158 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001589440554 986788154 /nfs/dbraw/zinc/78/81/54/986788154.db2.gz YPUDRLSRVPSAHR-IIDMSEBBSA-N -1 3 399.516 3.496 20 0 GGADHM C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589445794 986815615 /nfs/dbraw/zinc/81/56/15/986815615.db2.gz WVEIGCJYZAKYCG-HJPURHCSSA-N -1 3 389.455 3.290 20 0 GGADHM C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589445796 986816373 /nfs/dbraw/zinc/81/63/73/986816373.db2.gz WVEIGCJYZAKYCG-QMHKHESXSA-N -1 3 389.455 3.290 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597172503 987003939 /nfs/dbraw/zinc/00/39/39/987003939.db2.gz FQPMFUUTUXDHDU-SJLPKXTDSA-N -1 3 390.524 3.475 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001597173027 987011440 /nfs/dbraw/zinc/01/14/40/987011440.db2.gz MBVQRMYSSLNIIG-KYHPRHEASA-N -1 3 376.497 3.226 20 0 GGADHM CCOc1ccccc1[C@H](CC)NC(=O)CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001597173025 987012042 /nfs/dbraw/zinc/01/20/42/987012042.db2.gz MBVQRMYSSLNIIG-DFGXFYAUSA-N -1 3 376.497 3.226 20 0 GGADHM CCS(=O)(=O)CCCCCN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001597209777 987125755 /nfs/dbraw/zinc/12/57/55/987125755.db2.gz JIQGEGBKXYPPOK-DLBZAZTESA-N -1 3 387.929 3.045 20 0 GGADHM CC[C@H](C(=O)Nc1ccc(C)cc1)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001594735913 987272183 /nfs/dbraw/zinc/27/21/83/987272183.db2.gz QTWNPMPSHKYTRH-XUVXKRRUSA-N -1 3 382.460 3.218 20 0 GGADHM CC[C@@H]1[C@@H](NCc2ccccc2O[C@@H](C)C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001597310974 987433177 /nfs/dbraw/zinc/43/31/77/987433177.db2.gz KQVKZTXJHBGCLG-BHYGNILZSA-N -1 3 392.496 3.416 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616198 987476240 /nfs/dbraw/zinc/47/62/40/987476240.db2.gz MYAKGVYUEAYFEU-ZIAGYGMSSA-N -1 3 398.425 3.200 20 0 GGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616196 987476338 /nfs/dbraw/zinc/47/63/38/987476338.db2.gz MYAKGVYUEAYFEU-KGLIPLIRSA-N -1 3 398.425 3.200 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC001589622744 987506597 /nfs/dbraw/zinc/50/65/97/987506597.db2.gz JFODCZRIHYVCOW-LJQANCHMSA-N -1 3 387.524 3.498 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC001589627724 987523007 /nfs/dbraw/zinc/52/30/07/987523007.db2.gz ITZWWCVWOYVNHP-UHFFFAOYSA-N -1 3 381.476 3.290 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001589627898 987525958 /nfs/dbraw/zinc/52/59/58/987525958.db2.gz TZSNWWFGJYESFB-UHFFFAOYSA-N -1 3 378.231 3.145 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC1 ZINC001589627991 987527284 /nfs/dbraw/zinc/52/72/84/987527284.db2.gz ZFXJVNAZYYDKDN-UHFFFAOYSA-N -1 3 387.402 3.194 20 0 GGADHM CC(C)(C(=O)[O-])N1CCN(Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC001589631301 987538018 /nfs/dbraw/zinc/53/80/18/987538018.db2.gz JAFFTVLODLMLSH-UHFFFAOYSA-N -1 3 397.397 3.341 20 0 GGADHM CCc1[nH]c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c(C)c1C(=O)[O-] ZINC001597367619 987543992 /nfs/dbraw/zinc/54/39/92/987543992.db2.gz XYGXORYWBYEEJY-CQSZACIVSA-N -1 3 375.494 3.212 20 0 GGADHM CCc1[nH]c(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1C(=O)OC ZINC001597392578 987625521 /nfs/dbraw/zinc/62/55/21/987625521.db2.gz UDCTXJZEOABHTL-OAHLLOKOSA-N -1 3 384.354 3.298 20 0 GGADHM CCc1[nH]c(CN[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1C(=O)OC ZINC001597392881 987629105 /nfs/dbraw/zinc/62/91/05/987629105.db2.gz ZNVJUEZGWMHYDQ-IBGZPJMESA-N -1 3 378.856 3.497 20 0 GGADHM CCc1[nH]c(CNCc2ccc(I)c(C)c2)cc1C(=O)[O-] ZINC001597395694 987649338 /nfs/dbraw/zinc/64/93/38/987649338.db2.gz ZQFGIJQTZONOCH-UHFFFAOYSA-N -1 3 398.244 3.478 20 0 GGADHM CC(C)([C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001589682250 987718535 /nfs/dbraw/zinc/71/85/35/987718535.db2.gz SHWDUQVGLQQUBE-KRWDZBQOSA-N -1 3 391.418 3.337 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@H](CN2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001589687131 987738669 /nfs/dbraw/zinc/73/86/69/987738669.db2.gz RPTCICNBAUQRIF-CQSZACIVSA-N -1 3 376.472 3.167 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@@H](CN2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001589687130 987738740 /nfs/dbraw/zinc/73/87/40/987738740.db2.gz RPTCICNBAUQRIF-AWEZNQCLSA-N -1 3 376.472 3.167 20 0 GGADHM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001597457340 987872605 /nfs/dbraw/zinc/87/26/05/987872605.db2.gz JFROACWKRBELAO-UHFFFAOYSA-N -1 3 396.491 3.376 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)N(C)C)cc1 ZINC001597512906 988102522 /nfs/dbraw/zinc/10/25/22/988102522.db2.gz HODMQQUJLOZZNI-SFHVURJKSA-N -1 3 395.463 3.248 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2OC)N(C)C)cc1 ZINC001597513023 988103827 /nfs/dbraw/zinc/10/38/27/988103827.db2.gz ITWNGIMJRZWGLE-SFHVURJKSA-N -1 3 385.464 3.380 20 0 GGADHM CCc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)N(C)C)cc1 ZINC001597513573 988112882 /nfs/dbraw/zinc/11/28/82/988112882.db2.gz XPURJIFRRIOGHG-IBGZPJMESA-N -1 3 399.491 3.058 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001589806145 988227531 /nfs/dbraw/zinc/22/75/31/988227531.db2.gz LQXNQOJLSXLYOC-HXUWFJFHSA-N -1 3 376.428 3.002 20 0 GGADHM CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806785 988234244 /nfs/dbraw/zinc/23/42/44/988234244.db2.gz UOWQXSYGYNQPBL-HRAATJIYSA-N -1 3 376.472 3.133 20 0 GGADHM CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806788 988235246 /nfs/dbraw/zinc/23/52/46/988235246.db2.gz UOWQXSYGYNQPBL-KKSFZXQISA-N -1 3 376.472 3.133 20 0 GGADHM CCc1ccc(NC(=O)[C@@H](C)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001597543266 988240165 /nfs/dbraw/zinc/24/01/65/988240165.db2.gz YYPNYNOYKXVOBK-VOBQZIQPSA-N -1 3 382.460 3.082 20 0 GGADHM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(s2)CCNC3)cc1 ZINC001599810717 988329959 /nfs/dbraw/zinc/32/99/59/988329959.db2.gz FYBAODXKNPFELI-CQSZACIVSA-N -1 3 376.503 3.062 20 0 GGADHM CSc1ccc([C@H](CNC(=O)NCc2cc(C)c(C(=O)[O-])o2)N(C)C)cc1 ZINC001599811631 988346191 /nfs/dbraw/zinc/34/61/91/988346191.db2.gz IKSMHZGLOUUNDJ-INIZCTEOSA-N -1 3 391.493 3.110 20 0 GGADHM CSc1ccc([C@H](CNC(=O)c2ccsc2CC(=O)[O-])N(C)C)cc1 ZINC001599811986 988352554 /nfs/dbraw/zinc/35/25/54/988352554.db2.gz NNTDXXKBZNOGNB-HNNXBMFYSA-N -1 3 378.519 3.130 20 0 GGADHM CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNCc1ccc(C(=O)[O-])cc1F)O2 ZINC001589860002 988422195 /nfs/dbraw/zinc/42/21/95/988422195.db2.gz CWPNKWHAVMRVOB-TZQQIIETSA-N -1 3 393.455 3.283 20 0 GGADHM CSc1ccccc1OC[C@@H](O)CN(Cc1ccc(C(=O)[O-])[nH]1)C(C)C ZINC001599825396 988590526 /nfs/dbraw/zinc/59/05/26/988590526.db2.gz WKHKJCYMBWZGFK-HNNXBMFYSA-N -1 3 378.494 3.085 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@H](CCNCc2cc(C(=O)[O-])no2)c2ccccc21 ZINC001589929644 988688148 /nfs/dbraw/zinc/68/81/48/988688148.db2.gz GBCYHZGNHHYPET-ZDUSSCGKSA-N -1 3 387.436 3.391 20 0 GGADHM CC(C)(C)OC(=O)N1CC(OC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)C1 ZINC001589940545 988717778 /nfs/dbraw/zinc/71/77/78/988717778.db2.gz WREWPHMIWJSQGL-UHFFFAOYSA-N -1 3 396.509 3.047 20 0 GGADHM CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)CC2 ZINC001589947031 988735476 /nfs/dbraw/zinc/73/54/76/988735476.db2.gz DOUBSNYDJICVOH-UHFFFAOYSA-N -1 3 389.496 3.423 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cncc(C(=O)[O-])c3)CC2)C1 ZINC001589972034 988806634 /nfs/dbraw/zinc/80/66/34/988806634.db2.gz OWKVNSTYYGFXBK-QGZVFWFLSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972023 988806758 /nfs/dbraw/zinc/80/67/58/988806758.db2.gz OPIYMALPNMANLI-IAGOWNOFSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972079 988808682 /nfs/dbraw/zinc/80/86/82/988808682.db2.gz QTQDVCFQVXIGBX-RHSMWYFYSA-N -1 3 377.485 3.324 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972078 988808957 /nfs/dbraw/zinc/80/89/57/988808957.db2.gz QTQDVCFQVXIGBX-PBHICJAKSA-N -1 3 377.485 3.324 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972208 988811439 /nfs/dbraw/zinc/81/14/39/988811439.db2.gz XCPVDILKZJQYKT-JKSUJKDBSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972205 988811484 /nfs/dbraw/zinc/81/14/84/988811484.db2.gz XCPVDILKZJQYKT-CVEARBPZSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972207 988811921 /nfs/dbraw/zinc/81/19/21/988811921.db2.gz XCPVDILKZJQYKT-HZPDHXFCSA-N -1 3 389.496 3.249 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CN2CCOc3c(cccc3C(=O)[O-])C2)CC1 ZINC001589973447 988816588 /nfs/dbraw/zinc/81/65/88/988816588.db2.gz DTLQJJQVTRHRPI-UHFFFAOYSA-N -1 3 390.480 3.226 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2ccccc2F)C12CCC2 ZINC001589984411 988871370 /nfs/dbraw/zinc/87/13/70/988871370.db2.gz XXIANAFAHFCRCQ-HOTGVXAUSA-N -1 3 378.444 3.473 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001589993648 988907549 /nfs/dbraw/zinc/90/75/49/988907549.db2.gz CURVOXXHKOBPBD-MRXNPFEDSA-N -1 3 378.444 3.403 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(CCN2CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001589996256 988917101 /nfs/dbraw/zinc/91/71/01/988917101.db2.gz WTUGZQGIGOOKFH-UHFFFAOYSA-N -1 3 390.480 3.239 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(/C=C/C(=O)[O-])o3)CCC[C@H]12 ZINC001590004055 988937175 /nfs/dbraw/zinc/93/71/75/988937175.db2.gz NPIJDSIEFVVGBH-VXRMJLTESA-N -1 3 376.453 3.399 20 0 GGADHM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2CCOc2ccccc2C(=O)[O-])C1 ZINC001590006037 988957254 /nfs/dbraw/zinc/95/72/54/988957254.db2.gz ZMSVZNKHZYNYPH-OAQYLSRUSA-N -1 3 390.480 3.239 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011292 988963045 /nfs/dbraw/zinc/96/30/45/988963045.db2.gz CHLXSZQHHSIPSG-LSDHHAIUSA-N -1 3 393.484 3.232 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013698 988977388 /nfs/dbraw/zinc/97/73/88/988977388.db2.gz WRMQEXLDUPANBL-WMLDXEAASA-N -1 3 393.484 3.374 20 0 GGADHM CCc1nn(C)c(CC)c1CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001597716731 988983088 /nfs/dbraw/zinc/98/30/88/988983088.db2.gz UQYJUAMOWQFNGE-UHFFFAOYSA-N -1 3 376.526 3.154 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C/C=C/c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC001590035035 989055589 /nfs/dbraw/zinc/05/55/89/989055589.db2.gz PILIAPNFZHUJPX-JZLODUJNSA-N -1 3 378.444 3.235 20 0 GGADHM CC(C)(C)OC(=O)N1CCCN(C/C=C\c2cccc(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590035034 989055907 /nfs/dbraw/zinc/05/59/07/989055907.db2.gz PILIAPNFZHUJPX-CTEOGUNLSA-N -1 3 378.444 3.235 20 0 GGADHM CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001597735166 989074549 /nfs/dbraw/zinc/07/45/49/989074549.db2.gz NANGMZLHCFLPLE-UWVGGRQHSA-N -1 3 396.900 3.205 20 0 GGADHM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597736250 989086303 /nfs/dbraw/zinc/08/63/03/989086303.db2.gz ZRTSPYHNVAAUEG-RULNRJAQSA-N -1 3 396.900 3.133 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762910 989201727 /nfs/dbraw/zinc/20/17/27/989201727.db2.gz MSZKDZFRZRBGGX-VLIAUNLRSA-N -1 3 378.469 3.419 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001597763177 989203166 /nfs/dbraw/zinc/20/31/66/989203166.db2.gz QIXSQLKJNQOAGM-UHFFFAOYSA-N -1 3 396.443 3.048 20 0 GGADHM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NCc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001590091268 989205778 /nfs/dbraw/zinc/20/57/78/989205778.db2.gz GLJWNJQEDRCPRH-MIMSMNLDSA-N -1 3 376.453 3.257 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001597766135 989208076 /nfs/dbraw/zinc/20/80/76/989208076.db2.gz DQFCLBKYPZPUMF-ICSRJNTNSA-N -1 3 384.476 3.016 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599864678 989226569 /nfs/dbraw/zinc/22/65/69/989226569.db2.gz DBFCGUDDCSEIII-PXAZEXFGSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@@H]1CN(C2CCOCC2)CCN1[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599864862 989229904 /nfs/dbraw/zinc/22/99/04/989229904.db2.gz MXNXTNSEBIAILO-PXAZEXFGSA-N -1 3 387.307 3.304 20 0 GGADHM C[C@@H]1CN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CC(=O)[O-] ZINC001599865348 989242205 /nfs/dbraw/zinc/24/22/05/989242205.db2.gz YKJLTLFTYPIMND-UKRRQHHQSA-N -1 3 390.867 3.259 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(CN2CCC[C@@](C)(C(=O)[O-])C2)on1 ZINC001590112514 989292482 /nfs/dbraw/zinc/29/24/82/989292482.db2.gz KINHMGDCTNCDNG-LJQANCHMSA-N -1 3 381.473 3.121 20 0 GGADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(CN2CCC[C@](C)(C(=O)[O-])C2)on1 ZINC001590112513 989292553 /nfs/dbraw/zinc/29/25/53/989292553.db2.gz KINHMGDCTNCDNG-IBGZPJMESA-N -1 3 381.473 3.121 20 0 GGADHM CCc1oc(C(=O)OC)cc1CN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597791611 989323940 /nfs/dbraw/zinc/32/39/40/989323940.db2.gz SDVHTMMSVCSJIU-LLVKDONJSA-N -1 3 378.450 3.163 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H](CN1CCC2(C[C@H]2C(=O)[O-])CC1)CC(F)(F)F ZINC001590125082 989358159 /nfs/dbraw/zinc/35/81/59/989358159.db2.gz TYRYJOCFRBNARW-NEPJUHHUSA-N -1 3 380.407 3.019 20 0 GGADHM CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(CCOc1ccccc1C(=O)[O-])C2 ZINC001590137557 989386745 /nfs/dbraw/zinc/38/67/45/989386745.db2.gz AXXGHWSWHGDALG-BTYIYWSLSA-N -1 3 390.480 3.143 20 0 GGADHM CCc1oc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1C(=O)[O-] ZINC001597800226 989390979 /nfs/dbraw/zinc/39/09/79/989390979.db2.gz ZAKCFZIZWYKIRR-PZJWPPBQSA-N -1 3 384.476 3.016 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC001590154278 989460113 /nfs/dbraw/zinc/46/01/13/989460113.db2.gz MMUAWUJEYFVGHZ-QGZVFWFLSA-N -1 3 377.485 3.343 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(Cc2oncc2C(=O)[O-])C1 ZINC001590162371 989468731 /nfs/dbraw/zinc/46/87/31/989468731.db2.gz JYLWCMCIUFCLIK-IBGZPJMESA-N -1 3 381.473 3.136 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2CCOc1ccccc1C(=O)[O-] ZINC001590169990 989494387 /nfs/dbraw/zinc/49/43/87/989494387.db2.gz OMCJWURPTAYCFO-VFNWGFHPSA-N -1 3 390.480 3.143 20 0 GGADHM CC(C)(C)OC(=O)NC[C@@]12CN(Cc3ccc(C(=O)[O-])cn3)C[C@@H]1CCCC2 ZINC001590170980 989497397 /nfs/dbraw/zinc/49/73/97/989497397.db2.gz UPFIXPUDPBQLJK-KKSFZXQISA-N -1 3 389.496 3.297 20 0 GGADHM CC(C)(C)OC(=O)NC[C@]12CN(Cc3ccc(C(=O)[O-])cn3)C[C@H]1CCCC2 ZINC001590170978 989497633 /nfs/dbraw/zinc/49/76/33/989497633.db2.gz UPFIXPUDPBQLJK-IIBYNOLFSA-N -1 3 389.496 3.297 20 0 GGADHM CCn1c(CN[C@@](C)(CC)CC(=O)[O-])nc(Br)c1Br ZINC001597853555 989602931 /nfs/dbraw/zinc/60/29/31/989602931.db2.gz MOSMKJFQBHJXKZ-LBPRGKRZSA-N -1 3 397.111 3.161 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001590263046 989654232 /nfs/dbraw/zinc/65/42/32/989654232.db2.gz CPMINTSJNJBJPH-KGLIPLIRSA-N -1 3 388.386 3.430 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c[nH]c(C(=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001590268143 989668733 /nfs/dbraw/zinc/66/87/33/989668733.db2.gz SPIIEHZQOKAUKX-FUHWJXTLSA-N -1 3 385.464 3.206 20 0 GGADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(F)cc2C(=O)[O-])cn1 ZINC001597883053 989717306 /nfs/dbraw/zinc/71/73/06/989717306.db2.gz ZBBCIJPAJCVJER-NRFANRHFSA-N -1 3 397.450 3.476 20 0 GGADHM CC(C)(C)OC(=O)Nc1cnc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cn1 ZINC001590319777 989758097 /nfs/dbraw/zinc/75/80/97/989758097.db2.gz NRKOJDHFHKAELL-ZDUSSCGKSA-N -1 3 378.473 3.146 20 0 GGADHM CC(C)(C)OC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC001590365956 989840958 /nfs/dbraw/zinc/84/09/58/989840958.db2.gz NGSRDXIHEQKLAD-IBGZPJMESA-N -1 3 383.444 3.492 20 0 GGADHM CC(C)(C)c1nnc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC001590574576 990214761 /nfs/dbraw/zinc/21/47/61/990214761.db2.gz HBVMOZNHXUSHKK-AWEZNQCLSA-N -1 3 390.509 3.216 20 0 GGADHM CC(C)(C)c1nnc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC001590574578 990214831 /nfs/dbraw/zinc/21/48/31/990214831.db2.gz HBVMOZNHXUSHKK-CQSZACIVSA-N -1 3 390.509 3.216 20 0 GGADHM CN(C)[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598170611 990700465 /nfs/dbraw/zinc/70/04/65/990700465.db2.gz ODBRSMBKUIFBHY-HNNXBMFYSA-N -1 3 375.856 3.333 20 0 GGADHM CN(C)C[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001598200401 990812910 /nfs/dbraw/zinc/81/29/10/990812910.db2.gz FBSQOGOPWWTDIF-AWEZNQCLSA-N -1 3 381.885 3.202 20 0 GGADHM CN(C)C[C@@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001598200557 990815300 /nfs/dbraw/zinc/81/53/00/990815300.db2.gz LYRRWAZLXWBQCE-GOSISDBHSA-N -1 3 389.883 3.069 20 0 GGADHM CN(C)C[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598200856 990818642 /nfs/dbraw/zinc/81/86/42/990818642.db2.gz SXADTRDJDKRGOC-GOSISDBHSA-N -1 3 389.883 3.183 20 0 GGADHM CN(C)C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598202577 990824910 /nfs/dbraw/zinc/82/49/10/990824910.db2.gz HXRISHCKAZEQDI-KRWDZBQOSA-N -1 3 375.856 3.392 20 0 GGADHM CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598211459 990855845 /nfs/dbraw/zinc/85/58/45/990855845.db2.gz VHTAFYDWUHVMPJ-AWEZNQCLSA-N -1 3 395.887 3.145 20 0 GGADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001598225575 990915899 /nfs/dbraw/zinc/91/58/99/990915899.db2.gz MNHMYOJCGUADDQ-UHFFFAOYSA-N -1 3 391.418 3.301 20 0 GGADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598228810 990923697 /nfs/dbraw/zinc/92/36/97/990923697.db2.gz AWKKDIUDENWPMD-UHFFFAOYSA-N -1 3 391.493 3.193 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598229422 990928062 /nfs/dbraw/zinc/92/80/62/990928062.db2.gz MKAHFAGSVCVXQR-UHFFFAOYSA-N -1 3 394.834 3.168 20 0 GGADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001598229859 990931522 /nfs/dbraw/zinc/93/15/22/990931522.db2.gz ZPQKBSCYXREQMR-UHFFFAOYSA-N -1 3 383.420 3.320 20 0 GGADHM CN(C)CCSc1nc(CC(=O)NC2(CCC(=O)[O-])CCCCC2)cs1 ZINC001598239427 990970407 /nfs/dbraw/zinc/97/04/07/990970407.db2.gz KXFMXECYSXTNAI-UHFFFAOYSA-N -1 3 399.582 3.023 20 0 GGADHM CN(C)Cc1c2ccccc2oc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001598247702 991020347 /nfs/dbraw/zinc/02/03/47/991020347.db2.gz ZYNQUKNXCVMFFN-UHFFFAOYSA-N -1 3 382.416 3.234 20 0 GGADHM CN(C)Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)c2c1OC(F)(F)O2 ZINC001598252506 991033968 /nfs/dbraw/zinc/03/39/68/991033968.db2.gz JICSWPCERKGXRP-UHFFFAOYSA-N -1 3 378.375 3.058 20 0 GGADHM CN(C)Cc1cccc(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)c1 ZINC001598253520 991045373 /nfs/dbraw/zinc/04/53/73/991045373.db2.gz SPPXFFRHINHWPH-UHFFFAOYSA-N -1 3 395.484 3.500 20 0 GGADHM COc1ccccc1-c1ccc([C@@H](C)N[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1 ZINC001599692731 991096228 /nfs/dbraw/zinc/09/62/28/991096228.db2.gz SZUDBRMGAVBOEE-OXQOHEQNSA-N -1 3 396.487 3.479 20 0 GGADHM COc1ccccc1-c1ccc(CN(C(=O)[C@@H](N)CCC(=O)[O-])C(C)C)cc1 ZINC001599692790 991097789 /nfs/dbraw/zinc/09/77/89/991097789.db2.gz UNHQLFQUZNBALA-IBGZPJMESA-N -1 3 384.476 3.291 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001590980404 991131132 /nfs/dbraw/zinc/13/11/32/991131132.db2.gz CQFSMDKJVPOEPD-INIZCTEOSA-N -1 3 390.509 3.048 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001590980577 991132775 /nfs/dbraw/zinc/13/27/75/991132775.db2.gz HTIZNMNPCYDPGR-OAQYLSRUSA-N -1 3 397.519 3.270 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001590980903 991135521 /nfs/dbraw/zinc/13/55/21/991135521.db2.gz MGMNWYNPIACBIN-OALUTQOASA-N -1 3 387.524 3.039 20 0 GGADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590981027 991137113 /nfs/dbraw/zinc/13/71/13/991137113.db2.gz OXLPGIWHPIIQCL-CEXWTWQISA-N -1 3 375.513 3.086 20 0 GGADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001590981602 991143261 /nfs/dbraw/zinc/14/32/61/991143261.db2.gz YJBICZYPLTWQEL-NRFANRHFSA-N -1 3 397.519 3.383 20 0 GGADHM CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001590988610 991186406 /nfs/dbraw/zinc/18/64/06/991186406.db2.gz NNVMOBYSNJJVBK-KRWDZBQOSA-N -1 3 392.496 3.376 20 0 GGADHM CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001590988960 991191662 /nfs/dbraw/zinc/19/16/62/991191662.db2.gz RGEVPESXTXALBV-INIZCTEOSA-N -1 3 392.496 3.376 20 0 GGADHM CC(C)[C@H](NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC001591002157 991262488 /nfs/dbraw/zinc/26/24/88/991262488.db2.gz OROXLLAONDEIGV-LPHOPBHVSA-N -1 3 378.488 3.462 20 0 GGADHM CN(C)c1ccc(CN(CCC(=O)[O-])Cc2cccc(Br)c2)cn1 ZINC001598318084 991311748 /nfs/dbraw/zinc/31/17/48/991311748.db2.gz VKVJLBXLPUEKDE-UHFFFAOYSA-N -1 3 392.297 3.387 20 0 GGADHM CC(C)[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001591025308 991323509 /nfs/dbraw/zinc/32/35/09/991323509.db2.gz ONMRLFWVLAGTEO-INIZCTEOSA-N -1 3 381.885 3.349 20 0 GGADHM CC(C)[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001591025309 991323733 /nfs/dbraw/zinc/32/37/33/991323733.db2.gz ONMRLFWVLAGTEO-MRXNPFEDSA-N -1 3 381.885 3.349 20 0 GGADHM CC(C)[C@H](SCCN(C)Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591051982 991455301 /nfs/dbraw/zinc/45/53/01/991455301.db2.gz LDHYNSDHXXQKPR-IBGZPJMESA-N -1 3 392.565 3.199 20 0 GGADHM CN(CC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1)CC(C)(C)C ZINC001598376653 991568006 /nfs/dbraw/zinc/56/80/06/991568006.db2.gz ZUEROBIXNITUAL-CYBMUJFWSA-N -1 3 391.331 3.073 20 0 GGADHM CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C(C)(C)CC(=O)[O-] ZINC001598391525 991630162 /nfs/dbraw/zinc/63/01/62/991630162.db2.gz JIWJIYOQINFVRN-UHFFFAOYSA-N -1 3 378.856 3.401 20 0 GGADHM CC(C)[C@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001591096452 991687288 /nfs/dbraw/zinc/68/72/88/991687288.db2.gz DSDKDQBTHLXXGZ-OAQYLSRUSA-N -1 3 395.503 3.166 20 0 GGADHM COc1nsc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740303 991840207 /nfs/dbraw/zinc/84/02/07/991840207.db2.gz NMJNAQAUMJKKGF-ZIAGYGMSSA-N -1 3 380.441 3.077 20 0 GGADHM CN(C[C@H]1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1)C(=O)OC(C)(C)C ZINC001598463032 991968084 /nfs/dbraw/zinc/96/80/84/991968084.db2.gz SEMSJJBDGGAHKO-CYBMUJFWSA-N -1 3 377.485 3.279 20 0 GGADHM CN(CC[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])n1)C(=O)OC(C)(C)C ZINC001598472461 992049226 /nfs/dbraw/zinc/04/92/26/992049226.db2.gz RBFGSIRIQHCANS-INIZCTEOSA-N -1 3 377.485 3.391 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591211500 992058112 /nfs/dbraw/zinc/05/81/12/992058112.db2.gz GGLLIFRODOSQID-GJZGRUSLSA-N -1 3 394.537 3.447 20 0 GGADHM CN(CCCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598481139 992152396 /nfs/dbraw/zinc/15/23/96/992152396.db2.gz HRDXXKVDZCMVKJ-AWEZNQCLSA-N -1 3 376.375 3.076 20 0 GGADHM CN(CCCOc1ccc2c(c1)OCO2)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598482154 992171482 /nfs/dbraw/zinc/17/14/82/992171482.db2.gz FDGDDYTVUOXJQB-SFHVURJKSA-N -1 3 397.349 3.359 20 0 GGADHM CS(=O)(=O)c1ccc(-c2nc(CNC3(CC(=O)[O-])CCCC3)cs2)cc1 ZINC001599768487 992213450 /nfs/dbraw/zinc/21/34/50/992213450.db2.gz ZFUWARJVOBKDBC-UHFFFAOYSA-N -1 3 394.518 3.091 20 0 GGADHM CC(C)CN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC001591290034 992236484 /nfs/dbraw/zinc/23/64/84/992236484.db2.gz QNYYTRFIXQJSDZ-OAQYLSRUSA-N -1 3 380.488 3.183 20 0 GGADHM C[S@](=O)[C@H]1CC[C@@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001599775125 992292400 /nfs/dbraw/zinc/29/24/00/992292400.db2.gz JWWVOGVFLMUIJO-RYTUXRKISA-N -1 3 387.501 3.353 20 0 GGADHM C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])[n-]2)cc1 ZINC001598499770 992417900 /nfs/dbraw/zinc/41/79/00/992417900.db2.gz KGFORDQHNSVMKM-UHFFFAOYSA-N -1 3 393.443 3.476 20 0 GGADHM C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])[n-]2)cc1 ZINC001598499770 992417907 /nfs/dbraw/zinc/41/79/07/992417907.db2.gz KGFORDQHNSVMKM-UHFFFAOYSA-N -1 3 393.443 3.476 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC001598513240 992587192 /nfs/dbraw/zinc/58/71/92/992587192.db2.gz PCVPIHXQLOKBEI-UHFFFAOYSA-N -1 3 397.544 3.356 20 0 GGADHM CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)N(C)C)cc1 ZINC001591483890 992606870 /nfs/dbraw/zinc/60/68/70/992606870.db2.gz JPUMMPNPRQQUBX-PWIZWCRZSA-N -1 3 389.540 3.240 20 0 GGADHM CN(C)c1ncc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC001598524266 992699526 /nfs/dbraw/zinc/69/95/26/992699526.db2.gz VCQOOULMOKQKJM-UHFFFAOYSA-N -1 3 379.460 3.396 20 0 GGADHM CN(Cc1ccccc1)C[C@H](O)COc1ccc(C(=O)[O-])cc1Br ZINC001598528517 992748050 /nfs/dbraw/zinc/74/80/50/992748050.db2.gz DAXZOYLEWUMOOA-HNNXBMFYSA-N -1 3 394.265 3.019 20 0 GGADHM CN(Cc1ccccc1CC(=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001598529468 992760924 /nfs/dbraw/zinc/76/09/24/992760924.db2.gz LPLKDOIWTJLRCZ-MRXNPFEDSA-N -1 3 397.393 3.204 20 0 GGADHM CN(Cc1ccnc2c(C(=O)[O-])cccc12)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001598531381 992784770 /nfs/dbraw/zinc/78/47/70/992784770.db2.gz MVQHBGUSNLHRBO-KRWDZBQOSA-N -1 3 391.427 3.390 20 0 GGADHM CC(C)N1CCN(c2ccc(C(=O)O[C@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC001591633309 992935850 /nfs/dbraw/zinc/93/58/50/992935850.db2.gz DZDNKZMBTSPLKT-OAQYLSRUSA-N -1 3 396.487 3.070 20 0 GGADHM CC(C)N1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])CC1 ZINC001591633700 992939362 /nfs/dbraw/zinc/93/93/62/992939362.db2.gz URFIRPDGNKPTLY-UHFFFAOYSA-N -1 3 397.306 3.403 20 0 GGADHM CN1C(=O)Cc2cc(CN[C@@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)ccc21 ZINC001598551402 993007400 /nfs/dbraw/zinc/00/74/00/993007400.db2.gz JEANTXIVYJXJJC-QGZVFWFLSA-N -1 3 378.350 3.140 20 0 GGADHM CN1C(=O)C[C@H](N[C@H](C(=O)[O-])c2cccc(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598552479 993019284 /nfs/dbraw/zinc/01/92/84/993019284.db2.gz ZKBVLVHHFWXHOU-RYQLBKOJSA-N -1 3 394.805 3.306 20 0 GGADHM CN1C[C@@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C(C)(C)C1 ZINC001598567993 993164204 /nfs/dbraw/zinc/16/42/04/993164204.db2.gz MVTVKIJSLCEUNM-QGZVFWFLSA-N -1 3 388.489 3.340 20 0 GGADHM CN1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@H]1c1ccccc1 ZINC001598585075 993370830 /nfs/dbraw/zinc/37/08/30/993370830.db2.gz CPCARNQBOCLEOU-RHSMWYFYSA-N -1 3 375.375 3.230 20 0 GGADHM CN1CC[C@@H](NCc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC001598587148 993400635 /nfs/dbraw/zinc/40/06/35/993400635.db2.gz CRPRRGAONMGHIX-APWZRJJASA-N -1 3 384.867 3.450 20 0 GGADHM CN1CC[C@H](NCc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC001598587149 993401119 /nfs/dbraw/zinc/40/11/19/993401119.db2.gz CRPRRGAONMGHIX-LPHOPBHVSA-N -1 3 384.867 3.450 20 0 GGADHM CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1)[C@H]1CCCN(C)C1 ZINC001598595945 993505819 /nfs/dbraw/zinc/50/58/19/993505819.db2.gz FJTFSVUVZGJIAP-IBGZPJMESA-N -1 3 399.466 3.302 20 0 GGADHM CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1)[C@H]1CCCN(C)C1 ZINC001598596500 993513115 /nfs/dbraw/zinc/51/31/15/993513115.db2.gz NZXZOKLDQBWNFH-SFHVURJKSA-N -1 3 399.466 3.302 20 0 GGADHM CN1CCCC[C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001598600251 993565905 /nfs/dbraw/zinc/56/59/05/993565905.db2.gz GAWCXDAYMYJDIH-HNNXBMFYSA-N -1 3 384.436 3.178 20 0 GGADHM C[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)[C@H](c1ccccc1)N(C)C ZINC001593069800 993613482 /nfs/dbraw/zinc/61/34/82/993613482.db2.gz JDEMBLJURCKCBA-MGPUTAFESA-N -1 3 381.476 3.144 20 0 GGADHM CN1CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)C[C@H](C(=O)[O-])C1 ZINC001598606073 993659705 /nfs/dbraw/zinc/65/97/05/993659705.db2.gz SHRBJMYCWGJJIA-CQSZACIVSA-N -1 3 387.307 3.181 20 0 GGADHM COc1ccc(NC(=O)C[C@H](C)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC001599590197 993670394 /nfs/dbraw/zinc/67/03/94/993670394.db2.gz USTWFMTZCNPVRR-VOJFVSQTSA-N -1 3 378.375 3.106 20 0 GGADHM C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593084590 993689710 /nfs/dbraw/zinc/68/97/10/993689710.db2.gz TWRZQWGWWJCIJJ-DZGCQCFKSA-N -1 3 388.493 3.039 20 0 GGADHM C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593085033 993691904 /nfs/dbraw/zinc/69/19/04/993691904.db2.gz ZLUDBELKSFPART-NEPJUHHUSA-N -1 3 394.522 3.100 20 0 GGADHM C[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)[C@H](c1ccccc1)N(C)C ZINC001593089716 993708912 /nfs/dbraw/zinc/70/89/12/993708912.db2.gz ZXVGREKAMDMSGT-FUHWJXTLSA-N -1 3 375.513 3.402 20 0 GGADHM COc1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(OC)c1 ZINC001599593003 993711755 /nfs/dbraw/zinc/71/17/55/993711755.db2.gz XSDFEJYJSNHYTD-LJQANCHMSA-N -1 3 386.448 3.084 20 0 GGADHM CN1CCN(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001598608715 993724750 /nfs/dbraw/zinc/72/47/50/993724750.db2.gz FGJXJCLOUIGWHV-INIZCTEOSA-N -1 3 387.867 3.487 20 0 GGADHM CN1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)C[C@H](C(=O)[O-])C1 ZINC001598611819 993791081 /nfs/dbraw/zinc/79/10/81/993791081.db2.gz UJDPHUUYIGYSAC-OAHLLOKOSA-N -1 3 388.851 3.221 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC001593114903 993795403 /nfs/dbraw/zinc/79/54/03/993795403.db2.gz FQCWTDSFDGVGRW-YWZLYKJASA-N -1 3 385.464 3.353 20 0 GGADHM CN1CCN(C[C@@H](NCc2cc(C(=O)[O-])ccc2Cl)c2ccccc2)CC1 ZINC001598613903 993841411 /nfs/dbraw/zinc/84/14/11/993841411.db2.gz HJELWHHWDDFNCA-HXUWFJFHSA-N -1 3 387.911 3.117 20 0 GGADHM COc1ccc(OC)c([C@H](O)CN2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC001599602971 993843090 /nfs/dbraw/zinc/84/30/90/993843090.db2.gz DCYSYKGGURKCDH-OAQYLSRUSA-N -1 3 399.487 3.390 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2OCC(=O)[O-])CC1 ZINC001593130572 993872700 /nfs/dbraw/zinc/87/27/00/993872700.db2.gz FCECXKIVARPPQC-HNNXBMFYSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2OCC(=O)[O-])CC1 ZINC001593130574 993873182 /nfs/dbraw/zinc/87/31/82/993873182.db2.gz FCECXKIVARPPQC-OAHLLOKOSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593130659 993873877 /nfs/dbraw/zinc/87/38/77/993873877.db2.gz GDJWNQAMVIQOCS-LSDHHAIUSA-N -1 3 391.512 3.258 20 0 GGADHM Cn1c2ccc(F)cc2c(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598618645 993948209 /nfs/dbraw/zinc/94/82/09/993948209.db2.gz ONZUIFBLCFTPTM-SFHVURJKSA-N -1 3 395.478 3.374 20 0 GGADHM Cn1c2ccc(F)cc2c(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598618644 993949071 /nfs/dbraw/zinc/94/90/71/993949071.db2.gz ONZUIFBLCFTPTM-GOSISDBHSA-N -1 3 395.478 3.374 20 0 GGADHM CN1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC001598618791 993953294 /nfs/dbraw/zinc/95/32/94/993953294.db2.gz VTNXPHTUYCFYNR-ZDKIGPTLSA-N -1 3 380.488 3.022 20 0 GGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194460 994135641 /nfs/dbraw/zinc/13/56/41/994135641.db2.gz HNMQGQGVSGDCRS-IFXJQAMLSA-N -1 3 376.416 3.205 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C(=O)NCc1ccc(Cl)cc1 ZINC001593195782 994150320 /nfs/dbraw/zinc/15/03/20/994150320.db2.gz FPMWPBRVJKWMJE-UONOGXRCSA-N -1 3 390.867 3.159 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001593198463 994171308 /nfs/dbraw/zinc/17/13/08/994171308.db2.gz RISPWEOHVDQUMC-SVMVAKDDSA-N -1 3 398.503 3.090 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc2ncsc2c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593199694 994179929 /nfs/dbraw/zinc/17/99/29/994179929.db2.gz YPPUVDNLJDNRKJ-QWHCGFSZSA-N -1 3 383.473 3.350 20 0 GGADHM C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593211626 994270548 /nfs/dbraw/zinc/27/05/48/994270548.db2.gz ZKYXQHNSQTVKQE-XLQHLMKVSA-N -1 3 378.900 3.338 20 0 GGADHM C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593211625 994270820 /nfs/dbraw/zinc/27/08/20/994270820.db2.gz ZKYXQHNSQTVKQE-RPLLJCPNSA-N -1 3 378.900 3.338 20 0 GGADHM C[C@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001593218291 994283283 /nfs/dbraw/zinc/28/32/83/994283283.db2.gz GUXJUVFKPLFJTC-OFQRWUPVSA-N -1 3 392.500 3.184 20 0 GGADHM C[C@@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001593218288 994283902 /nfs/dbraw/zinc/28/39/02/994283902.db2.gz GUXJUVFKPLFJTC-IIAWOOMASA-N -1 3 392.500 3.184 20 0 GGADHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598643048 994342815 /nfs/dbraw/zinc/34/28/15/994342815.db2.gz WBDFSHWTRZYJST-GDBMZVCRSA-N -1 3 386.414 3.144 20 0 GGADHM C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1OCC(=O)[O-] ZINC001593230016 994356840 /nfs/dbraw/zinc/35/68/40/994356840.db2.gz ASZQFOJDQKFDCZ-KBPBESRZSA-N -1 3 376.403 3.358 20 0 GGADHM COc1cccc(C(=O)[O-])c1CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC001599644108 994399731 /nfs/dbraw/zinc/39/97/31/994399731.db2.gz FMVLUOYFFHOLEG-SFHVURJKSA-N -1 3 383.444 3.244 20 0 GGADHM COc1cccc(C(=O)[O-])c1N(C)C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001599645727 994421545 /nfs/dbraw/zinc/42/15/45/994421545.db2.gz LSWAHEXEEZTOLG-JQWIXIFHSA-N -1 3 375.343 3.104 20 0 GGADHM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cnc(Br)c(C)c2)c1 ZINC001599649749 994479419 /nfs/dbraw/zinc/47/94/19/994479419.db2.gz GRGABMSBSUYJFP-HNNXBMFYSA-N -1 3 379.254 3.419 20 0 GGADHM C[C@@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1OCC(=O)[O-] ZINC001593252883 994510356 /nfs/dbraw/zinc/51/03/56/994510356.db2.gz WEFNNLXISTUPDA-OAHLLOKOSA-N -1 3 390.480 3.368 20 0 GGADHM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC001599652451 994525948 /nfs/dbraw/zinc/52/59/48/994525948.db2.gz LKPNPPABYFHTJN-ZHRRBRCNSA-N -1 3 384.476 3.194 20 0 GGADHM COc1cccc([C@@](C)(CC(=O)[O-])N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC001599653863 994546379 /nfs/dbraw/zinc/54/63/79/994546379.db2.gz ZYUVZQNHJQTLKX-NZQKXSOJSA-N -1 3 396.487 3.166 20 0 GGADHM C[C@H](NCCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593263700 994559786 /nfs/dbraw/zinc/55/97/86/994559786.db2.gz BNDQHDRWWJRNAA-LBPRGKRZSA-N -1 3 381.498 3.449 20 0 GGADHM C[C@@H](NC[C@@H](O)c1cccc(Br)c1)c1ccccc1OCC(=O)[O-] ZINC001593285590 994636170 /nfs/dbraw/zinc/63/61/70/994636170.db2.gz GTQMZJTVPDHPHR-MLGOLLRUSA-N -1 3 394.265 3.297 20 0 GGADHM C[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593288379 994654759 /nfs/dbraw/zinc/65/47/59/994654759.db2.gz HZTYLRZHNRKBMI-AWEZNQCLSA-N -1 3 378.432 3.221 20 0 GGADHM C[C@](NCc1cc2c(c(Br)c1)OCO2)(C(=O)[O-])c1ccc(F)cc1 ZINC001593289755 994666584 /nfs/dbraw/zinc/66/65/84/994666584.db2.gz WYZSNLMUKDMCDF-QGZVFWFLSA-N -1 3 396.212 3.407 20 0 GGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1Br)[C@@H](O)c1ccc(F)cc1 ZINC001593295573 994692625 /nfs/dbraw/zinc/69/26/25/994692625.db2.gz GNBUXRLCUGKIJJ-QLJPJBMISA-N -1 3 382.229 3.498 20 0 GGADHM C[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC001593296205 994694918 /nfs/dbraw/zinc/69/49/18/994694918.db2.gz JWNLYIFKXAIWET-OAHLLOKOSA-N -1 3 379.460 3.183 20 0 GGADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC001593303540 994735175 /nfs/dbraw/zinc/73/51/75/994735175.db2.gz FTUPZBAXBSCJKC-OAHLLOKOSA-N -1 3 386.467 3.265 20 0 GGADHM C[C@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)N1c2ccccc2C[C@H]1C ZINC001593310739 994774211 /nfs/dbraw/zinc/77/42/11/994774211.db2.gz KCFZZGPXHODVBS-CABCVRRESA-N -1 3 389.455 3.389 20 0 GGADHM C[C@H](NCc1cn(-c2ccc(Cl)cc2)nn1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593311185 994779939 /nfs/dbraw/zinc/77/99/39/994779939.db2.gz ODWJESUJXVSJOC-LIRRHRJNSA-N -1 3 384.867 3.342 20 0 GGADHM COc1cccc(NC(=O)CCN2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)c1 ZINC001599679214 994951044 /nfs/dbraw/zinc/95/10/44/994951044.db2.gz WDPNMNBYGXKMHV-SFHVURJKSA-N -1 3 385.464 3.288 20 0 GGADHM COC(=O)C(C)(C)[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001598682956 994959636 /nfs/dbraw/zinc/95/96/36/994959636.db2.gz IRRAIEKKVNMYCH-CQSZACIVSA-N -1 3 383.872 3.328 20 0 GGADHM COC(=O)[C@@H](C)Oc1ccccc1CN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001598690482 995057398 /nfs/dbraw/zinc/05/73/98/995057398.db2.gz JRSVICUEALQILC-CQSZACIVSA-N -1 3 391.851 3.367 20 0 GGADHM C[C@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1cccc(F)c1 ZINC001593411608 995190414 /nfs/dbraw/zinc/19/04/14/995190414.db2.gz PNVKKQSGNPGCCR-KRWDZBQOSA-N -1 3 382.229 3.284 20 0 GGADHM C[C@H](O)[C@@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441469 995295002 /nfs/dbraw/zinc/29/50/02/995295002.db2.gz GVISLHPUFZGREZ-WDEREUQCSA-N -1 3 384.263 3.080 20 0 GGADHM COC(=O)[C@@H]1[C@H](CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740714 995560289 /nfs/dbraw/zinc/56/02/89/995560289.db2.gz GAZBHSFBUHTKLC-KPXOXKRLSA-N -1 3 382.190 3.105 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(O)(Cc3ccccc3F)CC2)cc1)C(=O)[O-] ZINC001593614876 995826986 /nfs/dbraw/zinc/82/69/86/995826986.db2.gz CQOGORGPGDVGES-INIZCTEOSA-N -1 3 387.451 3.247 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(O)(Cc3ccccc3F)CC2)cc1)C(=O)[O-] ZINC001593614877 995827269 /nfs/dbraw/zinc/82/72/69/995827269.db2.gz CQOGORGPGDVGES-MRXNPFEDSA-N -1 3 387.451 3.247 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615387 995832751 /nfs/dbraw/zinc/83/27/51/995832751.db2.gz JBYRENDJCRBYIB-RLFYNMQTSA-N -1 3 377.481 3.338 20 0 GGADHM C[C@H](Oc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1)C(=O)[O-] ZINC001593618496 995858709 /nfs/dbraw/zinc/85/87/09/995858709.db2.gz YNQMVZOTRDHZTC-UWJYYQICSA-N -1 3 399.487 3.159 20 0 GGADHM C[C@H](Oc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1F)C(=O)[O-] ZINC001593623880 995882719 /nfs/dbraw/zinc/88/27/19/995882719.db2.gz AWDFTTYYLHETDC-DLOVCJGASA-N -1 3 393.333 3.364 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(O)(Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC001593644489 995962704 /nfs/dbraw/zinc/96/27/04/995962704.db2.gz KZGDJQBGPFYTRB-INIZCTEOSA-N -1 3 387.451 3.247 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644806 995966384 /nfs/dbraw/zinc/96/63/84/995966384.db2.gz NAMUMWRKKSQKOB-OCCSQVGLSA-N -1 3 395.381 3.337 20 0 GGADHM C[C@H](Oc1ccccc1CN1CCC(c2ncc3n2CCCC3)CC1)C(=O)[O-] ZINC001593645013 995969358 /nfs/dbraw/zinc/96/93/58/995969358.db2.gz OMHQSEOKUOFNTQ-INIZCTEOSA-N -1 3 383.492 3.451 20 0 GGADHM C[C@H](Oc1ccccc1CNC[C@H](c1c(F)cccc1F)N(C)C)C(=O)[O-] ZINC001593645294 995972719 /nfs/dbraw/zinc/97/27/19/995972719.db2.gz IQPIKTWIZVEBSV-SUMWQHHRSA-N -1 3 378.419 3.209 20 0 GGADHM C[C@@H](Oc1ccccc1CN1CCC(OC[C@H]2CCCCO2)CC1)C(=O)[O-] ZINC001593646282 995981727 /nfs/dbraw/zinc/98/17/27/995981727.db2.gz WHQISLFBIARKKN-VQIMIIECSA-N -1 3 377.481 3.089 20 0 GGADHM C[C@H](Oc1ccccc1CNCCOc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001593647801 995992947 /nfs/dbraw/zinc/99/29/47/995992947.db2.gz BCXZRXDUEVTERY-LBPRGKRZSA-N -1 3 384.354 3.121 20 0 GGADHM C[C@H](Oc1ccccc1CNC[C@H](O)c1cccc(Br)c1)C(=O)[O-] ZINC001593649291 996001923 /nfs/dbraw/zinc/00/19/23/996001923.db2.gz RBZODKCLIXEUJA-LRDDRELGSA-N -1 3 394.265 3.124 20 0 GGADHM COC(=O)[C@@H]1CCN(CCSc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC001598798290 996123249 /nfs/dbraw/zinc/12/32/49/996123249.db2.gz DRRDSYBRMVBMIR-MFKMUULPSA-N -1 3 392.304 3.424 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001593690133 996135114 /nfs/dbraw/zinc/13/51/14/996135114.db2.gz NZDLGVVNZZJEAE-MNOVXSKESA-N -1 3 380.242 3.471 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001593690507 996136147 /nfs/dbraw/zinc/13/61/47/996136147.db2.gz RQXNEILQKITXKQ-CQSZACIVSA-N -1 3 396.484 3.435 20 0 GGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001593690506 996136262 /nfs/dbraw/zinc/13/62/62/996136262.db2.gz RQXNEILQKITXKQ-AWEZNQCLSA-N -1 3 396.484 3.435 20 0 GGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593692404 996139106 /nfs/dbraw/zinc/13/91/06/996139106.db2.gz CFAYENPWLFWQBL-CWFSZBLJSA-N -1 3 384.451 3.145 20 0 GGADHM C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccsc1C(=O)[O-] ZINC001593697301 996155211 /nfs/dbraw/zinc/15/52/11/996155211.db2.gz IHBRZDJTFOQNTL-CYBMUJFWSA-N -1 3 394.518 3.179 20 0 GGADHM C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C(=O)[O-])cc1Br ZINC001593704723 996185140 /nfs/dbraw/zinc/18/51/40/996185140.db2.gz ALKGVTFUMPBSMM-PXAZEXFGSA-N -1 3 378.266 3.402 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711700 996213609 /nfs/dbraw/zinc/21/36/09/996213609.db2.gz WWYPOCAUSHLQGE-APWZRJJASA-N -1 3 397.475 3.497 20 0 GGADHM C[C@@H](c1ccccc1F)N1CCC[C@@H](NCc2cc(C(=O)[O-])cs2)C1=O ZINC001593717680 996237022 /nfs/dbraw/zinc/23/70/22/996237022.db2.gz PVZUDOUMOWNHCO-YVEFUNNKSA-N -1 3 376.453 3.427 20 0 GGADHM C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001593725647 996280641 /nfs/dbraw/zinc/28/06/41/996280641.db2.gz ZKEYHIFDQZRFQZ-BYCMXARLSA-N -1 3 385.445 3.365 20 0 GGADHM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001593769888 996457713 /nfs/dbraw/zinc/45/77/13/996457713.db2.gz UXTKUWQMXHIPOO-HSZRJFAPSA-N -1 3 395.503 3.262 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001599379378 996807150 /nfs/dbraw/zinc/80/71/50/996807150.db2.gz GCOQNDYYACMNIE-FZMZJTMJSA-N -1 3 397.830 3.276 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1Cl ZINC001599379952 996818660 /nfs/dbraw/zinc/81/86/60/996818660.db2.gz SAKCUTFKRNFVIW-JSGCOSHPSA-N -1 3 379.840 3.137 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC(c2ccsc2)CC1 ZINC001599380465 996831451 /nfs/dbraw/zinc/83/14/51/996831451.db2.gz IQACARXTSUMABW-KRWDZBQOSA-N -1 3 391.489 3.074 20 0 GGADHM COCOc1ccc(OC)cc1CN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599278122 996845345 /nfs/dbraw/zinc/84/53/45/996845345.db2.gz ZXMMUAXKCCVFDO-CYBMUJFWSA-N -1 3 392.477 3.212 20 0 GGADHM CC1(C)CN(C(=O)Cc2ccc(C(=O)[O-])nc2)C(C)(C)CN1Cc1ccccc1 ZINC001593928454 996872279 /nfs/dbraw/zinc/87/22/79/996872279.db2.gz BAYKRZLQEYEAPL-UHFFFAOYSA-N -1 3 395.503 3.224 20 0 GGADHM COC[C@H](NCc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)[O-] ZINC001599177643 996880809 /nfs/dbraw/zinc/88/08/09/996880809.db2.gz RQTWCEOMERQWKO-IBGZPJMESA-N -1 3 399.422 3.301 20 0 GGADHM COc1ccc(C(=O)[O-])c(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001599490088 996922808 /nfs/dbraw/zinc/92/28/08/996922808.db2.gz SLAFEMJRJVZMOS-MRXNPFEDSA-N -1 3 383.448 3.132 20 0 GGADHM COCc1cc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599285480 996969836 /nfs/dbraw/zinc/96/98/36/996969836.db2.gz HFHLRMIOOHDRHT-MGPUTAFESA-N -1 3 397.475 3.316 20 0 GGADHM COc1cc([C@@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC001599388432 996987399 /nfs/dbraw/zinc/98/73/99/996987399.db2.gz CUHWEDONPMCMKR-CABCVRRESA-N -1 3 384.476 3.211 20 0 GGADHM COc1cc([C@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC001599388438 996987623 /nfs/dbraw/zinc/98/76/23/996987623.db2.gz CUHWEDONPMCMKR-LSDHHAIUSA-N -1 3 384.476 3.211 20 0 GGADHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1OCCO ZINC001599390069 997018363 /nfs/dbraw/zinc/01/83/63/997018363.db2.gz WNQZADUDGFWFBQ-KZULUSFZSA-N -1 3 379.840 3.196 20 0 GGADHM COC1(CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCCCC1 ZINC001599090042 997174604 /nfs/dbraw/zinc/17/46/04/997174604.db2.gz YKMZLODPABDEKD-SFHVURJKSA-N -1 3 380.916 3.433 20 0 GGADHM CC1(C)OCc2cc(CN[C@H]3CCc4cc(C(=O)[O-])ccc4NC3=O)ccc2O1 ZINC001593980891 997196373 /nfs/dbraw/zinc/19/63/73/997196373.db2.gz OJVXATQJOGOCPL-SFHVURJKSA-N -1 3 396.443 3.073 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)[C@H]2C(C)C)C1 ZINC001599094350 997250993 /nfs/dbraw/zinc/25/09/93/997250993.db2.gz LPGMBOQTMMCBCU-YJBOKZPZSA-N -1 3 377.481 3.148 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)[C@@H]2C(C)C)C1 ZINC001599094346 997251595 /nfs/dbraw/zinc/25/15/95/997251595.db2.gz LPGMBOQTMMCBCU-MAUKXSAKSA-N -1 3 377.481 3.148 20 0 GGADHM COC1(OC)CC2(CN(Cc3ccccc3O[C@H](C)C(=O)[O-])[C@@H]2C(C)C)C1 ZINC001599095384 997270512 /nfs/dbraw/zinc/27/05/12/997270512.db2.gz QDNRNEHYLPOVBR-CRAIPNDOSA-N -1 3 377.481 3.148 20 0 GGADHM C[C@]1([C@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)COC(=O)N1 ZINC001593992680 997274774 /nfs/dbraw/zinc/27/47/74/997274774.db2.gz NAPORLUBFGUKHH-NCAQKEMTSA-N -1 3 387.263 3.330 20 0 GGADHM C[C@@]1([C@@H]2CCCN(Cc3ccc(C(=O)[O-])cc3C(F)(F)F)C2)COC(=O)N1 ZINC001593992914 997278231 /nfs/dbraw/zinc/27/82/31/997278231.db2.gz QEFVKOIQGBDSFG-DYVFJYSZSA-N -1 3 386.370 3.114 20 0 GGADHM COc1cc(CN(C)Cc2cc(Br)ccc2C(=O)[O-])ccc1O ZINC001599405372 997287145 /nfs/dbraw/zinc/28/71/45/997287145.db2.gz XXFKEFGTFWFUQI-UHFFFAOYSA-N -1 3 380.238 3.494 20 0 GGADHM COc1cc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC001599405664 997292576 /nfs/dbraw/zinc/29/25/76/997292576.db2.gz GBNMZEHRASFRMO-UHFFFAOYSA-N -1 3 379.840 3.453 20 0 GGADHM C[C@@]1(C2CCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)COC(=O)N1 ZINC001593994254 997292534 /nfs/dbraw/zinc/29/25/34/997292534.db2.gz ONYFLLOGDYALBA-YOEHRIQHSA-N -1 3 386.370 3.042 20 0 GGADHM COc1cc(CN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C2CC2)ccc1OC(F)F ZINC001599406929 997326944 /nfs/dbraw/zinc/32/69/44/997326944.db2.gz OPCBOVMFPHWIPL-RISCZKNCSA-N -1 3 377.334 3.227 20 0 GGADHM COc1cc(CN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)C2CC2)ccc1OC(F)F ZINC001599406930 997327490 /nfs/dbraw/zinc/32/74/90/997327490.db2.gz OPCBOVMFPHWIPL-SMDDNHRTSA-N -1 3 377.334 3.227 20 0 GGADHM COc1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c(Br)cc1C(=O)[O-] ZINC001599407145 997332623 /nfs/dbraw/zinc/33/26/23/997332623.db2.gz OERLCWQHRJQUAR-VXGBXAGGSA-N -1 3 384.270 3.014 20 0 GGADHM COc1cc(CN2CCC23CCOCC3)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407173 997333683 /nfs/dbraw/zinc/33/36/83/997333683.db2.gz IEOVUAFSUFGLCE-UHFFFAOYSA-N -1 3 387.432 3.320 20 0 GGADHM COc1cc(CN2CC[C@H](O)C(C)(C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407515 997348977 /nfs/dbraw/zinc/34/89/77/997348977.db2.gz MTRYOBJBOXCTLI-IBGZPJMESA-N -1 3 389.448 3.158 20 0 GGADHM COc1cc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Br)cc1C(=O)[O-] ZINC001599407986 997363855 /nfs/dbraw/zinc/36/38/55/997363855.db2.gz YQLFELIOSCWMLO-MAZHCROVSA-N -1 3 398.297 3.281 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001599514971 997367521 /nfs/dbraw/zinc/36/75/21/997367521.db2.gz BFWVOQUBUTWUHW-IFXJQAMLSA-N -1 3 385.464 3.308 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001599516203 997391264 /nfs/dbraw/zinc/39/12/64/997391264.db2.gz LUQCIGBPSOTTDH-ZCNNSNEGSA-N -1 3 397.475 3.308 20 0 GGADHM COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001599517297 997413649 /nfs/dbraw/zinc/41/36/49/997413649.db2.gz UKBHMEHWDAUYOU-OAHLLOKOSA-N -1 3 377.466 3.188 20 0 GGADHM COc1cc(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC001599413852 997470215 /nfs/dbraw/zinc/47/02/15/997470215.db2.gz QOKNPVUOKAXVQK-MAUKXSAKSA-N -1 3 397.475 3.028 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001599417806 997540513 /nfs/dbraw/zinc/54/05/13/997540513.db2.gz CYDITZZWFVNWMX-BFUOFWGJSA-N -1 3 380.872 3.172 20 0 GGADHM COc1ccc([C@@H](N[C@@H](C)CC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1O ZINC001599527247 997581688 /nfs/dbraw/zinc/58/16/88/997581688.db2.gz IDRZNELKEMEFCX-BBATYDOGSA-N -1 3 392.839 3.187 20 0 GGADHM C[C@]1(CNCc2oc(Br)cc2C(=O)[O-])OCCc2ccccc21 ZINC001594027775 997581545 /nfs/dbraw/zinc/58/15/45/997581545.db2.gz PQLSSCVBZIBIJW-QGZVFWFLSA-N -1 3 380.238 3.318 20 0 GGADHM COc1ccc([C@@H](NC[C@H](O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1O ZINC001599527755 997592754 /nfs/dbraw/zinc/59/27/54/997592754.db2.gz QGMQBYNZSMMCJU-GOEBONIOSA-N -1 3 386.231 3.157 20 0 GGADHM CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001599322174 997600544 /nfs/dbraw/zinc/60/05/44/997600544.db2.gz KVAFOKSHFAHZDY-IACUBPJLSA-N -1 3 380.510 3.057 20 0 GGADHM C[C@]1(CO)CCCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594030948 997602922 /nfs/dbraw/zinc/60/29/22/997602922.db2.gz ULZAZISVSINTIM-QGZVFWFLSA-N -1 3 384.263 3.224 20 0 GGADHM COc1ccc([C@@H](N[C@H](C)CC(=O)Nc2ccc(C)cc2C)C(=O)[O-])cc1O ZINC001599529186 997618202 /nfs/dbraw/zinc/61/82/02/997618202.db2.gz VLDNOULWHDLUQL-JLTOFOAXSA-N -1 3 386.448 3.150 20 0 GGADHM COc1ccc([C@@H](NCCC(=O)Nc2cccc3ccccc32)C(=O)[O-])cc1O ZINC001599529817 997629854 /nfs/dbraw/zinc/62/98/54/997629854.db2.gz UAYMZJTWYGKDRA-OAQYLSRUSA-N -1 3 394.427 3.298 20 0 GGADHM COc1ccc([C@@H](O)C2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001599530934 997650632 /nfs/dbraw/zinc/65/06/32/997650632.db2.gz BRCWHACJWZYEDN-KSFYIVLOSA-N -1 3 399.487 3.493 20 0 GGADHM COc1ccc([C@H](NCc2ccc(OCc3ccccn3)cc2)C(=O)[O-])cc1O ZINC001599531330 997659030 /nfs/dbraw/zinc/65/90/30/997659030.db2.gz KCDSWYQYJZRKDF-NRFANRHFSA-N -1 3 394.427 3.290 20 0 GGADHM CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001599327478 997689571 /nfs/dbraw/zinc/68/95/71/997689571.db2.gz NCBCEMISSYCLDV-ZACQAIPSSA-N -1 3 376.250 3.477 20 0 GGADHM COC(=O)c1cc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc(C(=O)[O-])c1 ZINC001598930253 997736700 /nfs/dbraw/zinc/73/67/00/997736700.db2.gz KSBJJPAXJYMABI-CYBMUJFWSA-N -1 3 397.406 3.347 20 0 GGADHM COC(=O)c1cc(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc(C(=O)[O-])c1 ZINC001598931248 997761347 /nfs/dbraw/zinc/76/13/47/997761347.db2.gz ICQOPQZCPJJRHF-JOCHJYFZSA-N -1 3 381.428 3.141 20 0 GGADHM COCCCOC1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001599227322 997782881 /nfs/dbraw/zinc/78/28/81/997782881.db2.gz UJUJYJTXYPSYFM-INIZCTEOSA-N -1 3 375.387 3.349 20 0 GGADHM COC(=O)c1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932210 997783944 /nfs/dbraw/zinc/78/39/44/997783944.db2.gz GNMGWBNIXFYALS-IRXDYDNUSA-N -1 3 389.473 3.321 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)C(C)(C)CC(=O)[O-])cc1 ZINC001599539295 997804214 /nfs/dbraw/zinc/80/42/14/997804214.db2.gz RNWHLDAVNXCDKO-SFHVURJKSA-N -1 3 376.497 3.324 20 0 GGADHM COc1cc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599438404 997889619 /nfs/dbraw/zinc/88/96/19/997889619.db2.gz WDUNXUTVBDVCFO-MRXNPFEDSA-N -1 3 391.855 3.471 20 0 GGADHM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001599543965 997891852 /nfs/dbraw/zinc/89/18/52/997891852.db2.gz PSAWNKFOSPJSQA-XSFOEPMVSA-N -1 3 381.428 3.221 20 0 GGADHM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001599543963 997892489 /nfs/dbraw/zinc/89/24/89/997892489.db2.gz PSAWNKFOSPJSQA-LNENJAERSA-N -1 3 381.428 3.221 20 0 GGADHM COc1c(NC(=O)N2CCN(C3CCC(C)CC3)CC2)cccc1C(=O)[O-] ZINC001599340935 997920861 /nfs/dbraw/zinc/92/08/61/997920861.db2.gz VTFTUAYSVUXDLF-UHFFFAOYSA-N -1 3 375.469 3.122 20 0 GGADHM COC(=O)c1cc(NC(=O)CN2CCC[C@@H]2C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598938939 997925206 /nfs/dbraw/zinc/92/52/06/997925206.db2.gz HCISNAREFPZUDA-GOSISDBHSA-N -1 3 388.464 3.155 20 0 GGADHM COc1c(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341191 997925454 /nfs/dbraw/zinc/92/54/54/997925454.db2.gz PYIDWRWIUYJPON-ZBFHGGJFSA-N -1 3 383.448 3.178 20 0 GGADHM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598939429 997936160 /nfs/dbraw/zinc/93/61/60/997936160.db2.gz LAVJXLPSXOFEMS-YJYMSZOUSA-N -1 3 396.443 3.239 20 0 GGADHM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598939426 997936202 /nfs/dbraw/zinc/93/62/02/997936202.db2.gz LAVJXLPSXOFEMS-BFUOFWGJSA-N -1 3 396.443 3.239 20 0 GGADHM COc1cc(N[C@H]2CCCN(Cc3ccc(/C=C/C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443049 997961818 /nfs/dbraw/zinc/96/18/18/997961818.db2.gz MRTUPQHMCKRTNI-KIUWMYQTSA-N -1 3 386.448 3.471 20 0 GGADHM COc1cc(N[C@@H]2CCCN(Cc3ccc(/C=C\C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443052 997961933 /nfs/dbraw/zinc/96/19/33/997961933.db2.gz MRTUPQHMCKRTNI-ZPIQOJFGSA-N -1 3 386.448 3.471 20 0 GGADHM COc1cc(N[C@@H]2CCCN(Cc3ccc(/C=C/C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443051 997962265 /nfs/dbraw/zinc/96/22/65/997962265.db2.gz MRTUPQHMCKRTNI-MVGZEHJDSA-N -1 3 386.448 3.471 20 0 GGADHM COc1ccc(C[C@H](C)CN(C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC001599550428 997997009 /nfs/dbraw/zinc/99/70/09/997997009.db2.gz NGFGHRSGXJOGGH-INIZCTEOSA-N -1 3 384.476 3.167 20 0 GGADHM COc1ccc(C[C@@H](C)CN(C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC001599550431 997997202 /nfs/dbraw/zinc/99/72/02/997997202.db2.gz NGFGHRSGXJOGGH-MRXNPFEDSA-N -1 3 384.476 3.167 20 0 GGADHM COc1cc(Br)c(CN[C@@H](CC(=O)[O-])Cc2ccccc2)cc1O ZINC001599347442 998033275 /nfs/dbraw/zinc/03/32/75/998033275.db2.gz AWAKQMXBMAZHBF-CQSZACIVSA-N -1 3 394.265 3.339 20 0 GGADHM COC(=O)c1cc(NC(=O)c2cccc(CN3CCCCC3)c2)cc(C(=O)[O-])c1 ZINC001598947853 998089320 /nfs/dbraw/zinc/08/93/20/998089320.db2.gz JXADSDYWXWNUMV-UHFFFAOYSA-N -1 3 396.443 3.410 20 0 GGADHM COc1ccc(CCNCc2ccc(C(=O)[O-])cc2Br)c(OC)c1 ZINC001599556299 998097955 /nfs/dbraw/zinc/09/79/55/998097955.db2.gz AFXFJPIKECVQCJ-UHFFFAOYSA-N -1 3 394.265 3.497 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3ncccc3C)CC2)c1 ZINC001599451265 998105708 /nfs/dbraw/zinc/10/57/08/998105708.db2.gz ZDWGZYLOKNUEAT-LJQANCHMSA-N -1 3 386.448 3.076 20 0 GGADHM COc1ccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1Cn1cccn1 ZINC001599560034 998173742 /nfs/dbraw/zinc/17/37/42/998173742.db2.gz BBCKJWBSLAZUTQ-UHFFFAOYSA-N -1 3 396.447 3.006 20 0 GGADHM COc1cc(OC)cc(N2CCCN(Cc3cc(C(=O)[O-])cs3)CC2)c1 ZINC001599455352 998178946 /nfs/dbraw/zinc/17/89/46/998178946.db2.gz YMEYGUVGJUXSQQ-UHFFFAOYSA-N -1 3 376.478 3.176 20 0 GGADHM COc1cc(C(=O)[O-])cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1OC ZINC001599357712 998207330 /nfs/dbraw/zinc/20/73/30/998207330.db2.gz BIXATCHMOXEPBY-MNOVXSKESA-N -1 3 391.342 3.088 20 0 GGADHM COc1cc(C(=O)[O-])cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1OC ZINC001599357713 998207808 /nfs/dbraw/zinc/20/78/08/998207808.db2.gz BIXATCHMOXEPBY-QWRGUYRKSA-N -1 3 391.342 3.088 20 0 GGADHM COc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599562692 998229398 /nfs/dbraw/zinc/22/93/98/998229398.db2.gz ACAWPNDTUFXOSW-JKSUJKDBSA-N -1 3 397.397 3.025 20 0 GGADHM COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1C(=O)[O-] ZINC001599567609 998313118 /nfs/dbraw/zinc/31/31/18/998313118.db2.gz DVRPLKHMDHHZEJ-IBGZPJMESA-N -1 3 397.475 3.030 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567779 998314959 /nfs/dbraw/zinc/31/49/59/998314959.db2.gz MWDCLQHGYLVXGS-CRAIPNDOSA-N -1 3 397.475 3.028 20 0 GGADHM COc1cc2c(cc1CN[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)O[C@H](C)C2 ZINC001599463665 998320155 /nfs/dbraw/zinc/32/01/55/998320155.db2.gz SKTLPTHUZWFQKZ-UONOGXRCSA-N -1 3 398.459 3.224 20 0 GGADHM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001599369891 998393733 /nfs/dbraw/zinc/39/37/33/998393733.db2.gz BXVIIEHCVJPIIK-INIZCTEOSA-N -1 3 397.475 3.379 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C(C)(C)C)C1 ZINC001598965038 998400625 /nfs/dbraw/zinc/40/06/25/998400625.db2.gz GSCLBGOEGLSPRX-ZFWWWQNUSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C(C)C)CC1 ZINC001598965462 998409736 /nfs/dbraw/zinc/40/97/36/998409736.db2.gz OMTBLEMTVAQHPU-GJZGRUSLSA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C(C)C)CC1 ZINC001598965461 998410132 /nfs/dbraw/zinc/41/01/32/998410132.db2.gz OMTBLEMTVAQHPU-CABCVRRESA-N -1 3 390.480 3.257 20 0 GGADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC001598965464 998410535 /nfs/dbraw/zinc/41/05/35/998410535.db2.gz OMTBLEMTVAQHPU-LSDHHAIUSA-N -1 3 390.480 3.257 20 0 GGADHM COc1ccc(-n2c(CN[C@@]3(CC(=O)[O-])CCCOC3)nc3ccccc32)cc1 ZINC001599473600 998490092 /nfs/dbraw/zinc/49/00/92/998490092.db2.gz JWNXSZXXOJRLKG-JOCHJYFZSA-N -1 3 395.459 3.148 20 0 GGADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCc2ccncc2)c1 ZINC001599474694 998509813 /nfs/dbraw/zinc/50/98/13/998509813.db2.gz CWRMYDHVNAGXNJ-INIZCTEOSA-N -1 3 379.254 3.153 20 0 GGADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCc2ccncc2)c1 ZINC001599474695 998509974 /nfs/dbraw/zinc/50/99/74/998509974.db2.gz CWRMYDHVNAGXNJ-MRXNPFEDSA-N -1 3 379.254 3.153 20 0 GGADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCC[C@H]2CCOC2)c1 ZINC001599475390 998522936 /nfs/dbraw/zinc/52/29/36/998522936.db2.gz XSDJAJGYEBXVME-LRDDRELGSA-N -1 3 386.286 3.332 20 0 GGADHM COc1ccc(Cn2nc(C)c(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)c2C)cc1 ZINC001599581002 998530981 /nfs/dbraw/zinc/53/09/81/998530981.db2.gz VAYYTQUATLUUJZ-HXUWFJFHSA-N -1 3 383.492 3.244 20 0 GGADHM COc1ccc(F)cc1-c1cncc(CN2CCSC[C@@H](C(=O)[O-])C2)c1 ZINC001599582162 998549128 /nfs/dbraw/zinc/54/91/28/998549128.db2.gz LFMDZBDLOQSKSW-HNNXBMFYSA-N -1 3 376.453 3.146 20 0 GGADHM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001594162976 998611119 /nfs/dbraw/zinc/61/11/19/998611119.db2.gz WINCOLFENORJRI-WIYYLYMNSA-N -1 3 380.488 3.053 20 0 GGADHM C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001594176590 998679398 /nfs/dbraw/zinc/67/93/98/998679398.db2.gz IUOZEXDLVAZJBO-KURKYZTESA-N -1 3 395.503 3.307 20 0 GGADHM C[C@H]1[C@H](Nc2ccc(N3CCN(C)CC3)c3ccncc23)CC[C@H]1CC(=O)[O-] ZINC001594186549 998721448 /nfs/dbraw/zinc/72/14/48/998721448.db2.gz XBLCVZXYCQJDMT-JTDSTZFVSA-N -1 3 382.508 3.288 20 0 GGADHM C[C@H]1[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCN1Cc1ccccc1 ZINC001594190554 998740433 /nfs/dbraw/zinc/74/04/33/998740433.db2.gz JDRMGVTUZYUGTC-YWZLYKJASA-N -1 3 379.460 3.073 20 0 GGADHM COC(=O)c1cccc([C@@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC001598993276 998756047 /nfs/dbraw/zinc/75/60/47/998756047.db2.gz CXLBFPAATPDIBD-JLTOFOAXSA-N -1 3 396.443 3.077 20 0 GGADHM COC(=O)c1cccc([C@H](C(=O)[O-])N(C)Cc2ccc(OC)c(Cl)c2)c1 ZINC001598998138 998799616 /nfs/dbraw/zinc/79/96/16/998799616.db2.gz XLGSDWPGANWROB-QGZVFWFLSA-N -1 3 377.824 3.393 20 0 GGADHM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC001598998187 998799717 /nfs/dbraw/zinc/79/97/17/998799717.db2.gz XVEJZRXGXZSQKU-LJQANCHMSA-N -1 3 381.428 3.194 20 0 GGADHM COC(=O)c1cnc([C@@H]2CCCN([C@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008710 998877661 /nfs/dbraw/zinc/87/76/61/998877661.db2.gz CATNBTMNQLOPFM-DOMZBBRYSA-N -1 3 378.425 3.074 20 0 GGADHM COC(=O)c1cnc(CC2CCN(Cc3ccccc3CC(=O)[O-])CC2)s1 ZINC001599009106 998882066 /nfs/dbraw/zinc/88/20/66/998882066.db2.gz IZXWKMSBCXTUFS-UHFFFAOYSA-N -1 3 388.489 3.012 20 0 GGADHM COC(=O)c1csc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC001599012330 998909099 /nfs/dbraw/zinc/90/90/99/998909099.db2.gz DQMRGFAOSRFBCM-INIZCTEOSA-N -1 3 398.278 3.387 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001594252225 998971459 /nfs/dbraw/zinc/97/14/59/998971459.db2.gz CCLIXYBUTZCCPN-VQIMIIECSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CN1Cc1ccccc1 ZINC001594252224 998971754 /nfs/dbraw/zinc/97/17/54/998971754.db2.gz CCLIXYBUTZCCPN-QFBILLFUSA-N -1 3 393.487 3.116 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC001594258721 998997307 /nfs/dbraw/zinc/99/73/07/998997307.db2.gz ZDRRGLNKPXMPIA-IUODEOHRSA-N -1 3 389.402 3.448 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC001594258722 998997469 /nfs/dbraw/zinc/99/74/69/998997469.db2.gz ZDRRGLNKPXMPIA-SWLSCSKDSA-N -1 3 389.402 3.448 20 0 GGADHM COC(=O)c1sccc1CN[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001599023926 999002555 /nfs/dbraw/zinc/00/25/55/999002555.db2.gz PTQNOOKBBPYIHH-CYBMUJFWSA-N -1 3 398.278 3.083 20 0 GGADHM CO[C@@H](C(=O)[O-])c1ccccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001599026466 999019524 /nfs/dbraw/zinc/01/95/24/999019524.db2.gz LMMWBSRWHBAVMZ-WIYYLYMNSA-N -1 3 385.460 3.129 20 0 GGADHM CO[C@](C)([C@@H](C)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CC1 ZINC001599035821 999082667 /nfs/dbraw/zinc/08/26/67/999082667.db2.gz REYNHQACXPJIMB-VVVCHXIZSA-N -1 3 389.279 3.423 20 0 GGADHM CO[C@H](C)c1nc(CN2CCCN([C@H](C(=O)[O-])c3ccsc3)CC2)cs1 ZINC001599041410 999120067 /nfs/dbraw/zinc/12/00/67/999120067.db2.gz AGWRYPZCODXIGU-CJNGLKHVSA-N -1 3 395.550 3.246 20 0 GGADHM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1[C@H](C)CC[C@@H]1C ZINC001594300480 999160389 /nfs/dbraw/zinc/16/03/89/999160389.db2.gz SGWMXHXOCDLEHA-OZTPJHRESA-N -1 3 388.386 3.088 20 0 GGADHM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300508 999161146 /nfs/dbraw/zinc/16/11/46/999161146.db2.gz TWELNMNCJFAKMG-IATRGZMQSA-N -1 3 397.313 3.295 20 0 GGADHM C[C@@H]1CC[C@@](NCCS(=O)(=O)C2CCCCC2)(C(=O)[O-])c2ccccc21 ZINC001594321521 999236339 /nfs/dbraw/zinc/23/63/39/999236339.db2.gz SVGRELRUOQHGFR-QRWLVFNGSA-N -1 3 379.522 3.201 20 0 GGADHM C[C@H]1CC[C@](NCCS(=O)(=O)C2CCCCC2)(C(=O)[O-])c2ccccc21 ZINC001594321520 999236474 /nfs/dbraw/zinc/23/64/74/999236474.db2.gz SVGRELRUOQHGFR-MGPUTAFESA-N -1 3 379.522 3.201 20 0 GGADHM C[C@H]1CC[C@@H](NCc2ccccc2OCC(=O)[O-])CN1C(=O)OC(C)(C)C ZINC001594321970 999239314 /nfs/dbraw/zinc/23/93/14/999239314.db2.gz YIQQFMHAAZIMGF-GOEBONIOSA-N -1 3 378.469 3.028 20 0 GGADHM C[C@@H]1CC[C@@](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)(C(=O)[O-])c2ccccc21 ZINC001594324485 999251792 /nfs/dbraw/zinc/25/17/92/999251792.db2.gz ZJKHDCKMLGYBDX-OREJSRFESA-N -1 3 376.472 3.193 20 0 GGADHM C[C@H]1CCCN(Cc2cncc(C(=O)[O-])c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594382740 999443828 /nfs/dbraw/zinc/44/38/28/999443828.db2.gz BECVYJQNSBQGDA-YOEHRIQHSA-N -1 3 377.485 3.295 20 0 GGADHM C[C@@H]1CCCN(CCOc2ccccc2C(=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001594383344 999447721 /nfs/dbraw/zinc/44/77/21/999447721.db2.gz IDLYNJOBRWSLBY-NVXWUHKLSA-N -1 3 392.496 3.389 20 0 GGADHM C[C@H]1CCCN(Cc2cccc(C(=O)[O-])n2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594383831 999451192 /nfs/dbraw/zinc/45/11/92/999451192.db2.gz MAHUCVVOABTGMH-YOEHRIQHSA-N -1 3 377.485 3.295 20 0 GGADHM C[C@H]1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)CCN1Cc1ccccc1 ZINC001594402225 999506463 /nfs/dbraw/zinc/50/64/63/999506463.db2.gz SSCHSUXAESJPHS-SFHVURJKSA-N -1 3 387.524 3.328 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c2ccccc2)CC1 ZINC001594412172 999540255 /nfs/dbraw/zinc/54/02/55/999540255.db2.gz ITMOKGVORGBRSA-MZKRTTBSSA-N -1 3 399.535 3.498 20 0 GGADHM C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C[C@H]1CC(=O)[O-] ZINC001594412652 999542259 /nfs/dbraw/zinc/54/22/59/999542259.db2.gz QMMWHURYXOXRNZ-ZACQAIPSSA-N -1 3 393.553 3.273 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c2ccccc2)CC1 ZINC001594412689 999542447 /nfs/dbraw/zinc/54/24/47/999542447.db2.gz RBSCDSQTRWPKLN-SIKLNZKXSA-N -1 3 387.524 3.356 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CNC(C)(C)[C@H]3CCCCO3)c2C(=O)[O-])C1 ZINC001594443174 999630625 /nfs/dbraw/zinc/63/06/25/999630625.db2.gz ATCPBMYTIHWWRC-IUODEOHRSA-N -1 3 394.537 3.447 20 0 GGADHM C[C@H]1CCc2c(sc(NC(=O)CNC(C)(C)[C@@H]3CCCCO3)c2C(=O)[O-])C1 ZINC001594443177 999630811 /nfs/dbraw/zinc/63/08/11/999630811.db2.gz ATCPBMYTIHWWRC-WFASDCNBSA-N -1 3 394.537 3.447 20 0 GGADHM CC(C)Cc1ncc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])s1 ZINC000277441564 1126079136 /nfs/dbraw/zinc/07/91/36/1126079136.db2.gz UOYNZVDSGUUPFA-INIZCTEOSA-N -1 3 376.478 3.018 20 0 GGADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(Cl)cc1Cl ZINC000426736473 1126084865 /nfs/dbraw/zinc/08/48/65/1126084865.db2.gz JFWAGWRPGUEBGF-KRWDZBQOSA-N -1 3 391.258 3.360 20 0 GGADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(Cl)cc1Cl ZINC000426736474 1126084874 /nfs/dbraw/zinc/08/48/74/1126084874.db2.gz JFWAGWRPGUEBGF-QGZVFWFLSA-N -1 3 391.258 3.360 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1csc(-c2cccs2)n1 ZINC000426774295 1126089703 /nfs/dbraw/zinc/08/97/03/1126089703.db2.gz UDHMGVZKLSDRIE-ZDUSSCGKSA-N -1 3 388.470 3.386 20 0 GGADHM COc1cccc(C[C@H](NCc2cc(Br)cnc2Cl)C(=O)[O-])c1 ZINC000843303772 1126112306 /nfs/dbraw/zinc/11/23/06/1126112306.db2.gz GKNHMSIZLVNHCW-AWEZNQCLSA-N -1 3 399.672 3.292 20 0 GGADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H](Cc1cc[nH]n1)C(=O)[O-] ZINC000900058850 1126128462 /nfs/dbraw/zinc/12/84/62/1126128462.db2.gz HQTJTXADNLVQSN-MRXNPFEDSA-N -1 3 387.871 3.158 20 0 GGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(C(F)(F)F)s1 ZINC000904004535 1126131552 /nfs/dbraw/zinc/13/15/52/1126131552.db2.gz CQTOPFXUQXVSOW-QMMMGPOBSA-N -1 3 387.305 3.225 20 0 GGADHM Cc1nn(C)c(Cl)c1CN[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000904030901 1126132269 /nfs/dbraw/zinc/13/22/69/1126132269.db2.gz DXBBJCNPNZGKAP-ZDUSSCGKSA-N -1 3 391.777 3.066 20 0 GGADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC001116763491 1126145869 /nfs/dbraw/zinc/14/58/69/1126145869.db2.gz XPCQDECCEQFBQC-GFCCVEGCSA-N -1 3 382.169 3.452 20 0 GGADHM COc1cc(-c2ccccc2)ccc1CN[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001116763480 1126145926 /nfs/dbraw/zinc/14/59/26/1126145926.db2.gz XGVYMWPTPLBXFO-SFHVURJKSA-N -1 3 385.851 3.455 20 0 GGADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1csc(-c2ccccn2)n1 ZINC001255787081 1126160044 /nfs/dbraw/zinc/16/00/44/1126160044.db2.gz UZUJKSXWFXSZQI-SFHVURJKSA-N -1 3 378.457 3.472 20 0 GGADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1ccc(-c2cccc(F)c2F)o1 ZINC001321925127 1126171879 /nfs/dbraw/zinc/17/18/79/1126171879.db2.gz PKRHOJUGLDVEFC-AWEZNQCLSA-N -1 3 381.766 3.318 20 0 GGADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1nc2c(s1)CCCC2 ZINC001325666401 1126172825 /nfs/dbraw/zinc/17/28/25/1126172825.db2.gz LKZZBMUBYCKVIV-AWEZNQCLSA-N -1 3 382.432 3.409 20 0 GGADHM Cc1ccc(-c2ncc(CN[C@@H](Cn3cc(Cl)cn3)C(=O)[O-])s2)cc1 ZINC001326322675 1126173117 /nfs/dbraw/zinc/17/31/17/1126173117.db2.gz AKIGXJYREIGYAU-HNNXBMFYSA-N -1 3 376.869 3.211 20 0 GGADHM Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H](Cc1cncs1)C(=O)[O-] ZINC001332270629 1126177075 /nfs/dbraw/zinc/17/70/75/1126177075.db2.gz WBFJDBRLDCOWFL-INIZCTEOSA-N -1 3 390.896 3.135 20 0 GGADHM Cc1cc(CN[C@](C)(CO)Cc2ccc(Br)cc2)oc1C(=O)[O-] ZINC001600205055 1126218420 /nfs/dbraw/zinc/21/84/20/1126218420.db2.gz MJGNJIIKJYGASS-KRWDZBQOSA-N -1 3 382.254 3.132 20 0 GGADHM Cc1ccc(C[C@@H](CO)NCc2oc(Br)cc2C(=O)[O-])cc1C ZINC001600402797 1126218736 /nfs/dbraw/zinc/21/87/36/1126218736.db2.gz SWIDIBLOGICWLA-ZDUSSCGKSA-N -1 3 382.254 3.050 20 0 GGADHM Cc1cccc(C[C@@H](CO)NCc2ccc(C(=O)[O-])cc2Br)c1 ZINC001600529062 1126219365 /nfs/dbraw/zinc/21/93/65/1126219365.db2.gz JZABZNLCPMKDOW-INIZCTEOSA-N -1 3 378.266 3.149 20 0 GGADHM Cc1cccc(C[C@H](CO)NCc2ccc(C(=O)[O-])cc2Br)c1 ZINC001600529064 1126219405 /nfs/dbraw/zinc/21/94/05/1126219405.db2.gz JZABZNLCPMKDOW-MRXNPFEDSA-N -1 3 378.266 3.149 20 0 GGADHM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCc1cccnc1Br ZINC001601656825 1126222808 /nfs/dbraw/zinc/22/28/08/1126222808.db2.gz FPPFLBPEUGRRFV-AWEZNQCLSA-N -1 3 375.222 3.376 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1scnc1Cl ZINC001601660894 1126224948 /nfs/dbraw/zinc/22/49/48/1126224948.db2.gz ZQIRKTRRGLBHBF-SNVBAGLBSA-N -1 3 380.775 3.481 20 0 GGADHM O=C([O-])[C@H](Cc1cncs1)NCc1cccc(Br)c1Cl ZINC001601662642 1126225804 /nfs/dbraw/zinc/22/58/04/1126225804.db2.gz MTCPZLRUXXNSOB-NSHDSACASA-N -1 3 375.675 3.345 20 0 GGADHM C[C@@](Cc1ccc(F)cc1)(NCc1ccn(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001604222651 1126228487 /nfs/dbraw/zinc/22/84/87/1126228487.db2.gz HYDMMTKZXQRPGJ-FQEVSTJZSA-N -1 3 389.377 3.465 20 0 GGADHM C[C@](Cc1ccc(F)cc1)(NCc1ccn(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001604222652 1126228547 /nfs/dbraw/zinc/22/85/47/1126228547.db2.gz HYDMMTKZXQRPGJ-HXUWFJFHSA-N -1 3 389.377 3.465 20 0 GGADHM COc1cccc(C[C@H](NCc2coc(-c3ccccc3OC)n2)C(=O)[O-])c1 ZINC001607322085 1126233465 /nfs/dbraw/zinc/23/34/65/1126233465.db2.gz QWAFQEFEZIWBKL-SFHVURJKSA-N -1 3 382.416 3.144 20 0 GGADHM COc1cccc(OC)c1CN[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001607328293 1126233692 /nfs/dbraw/zinc/23/36/92/1126233692.db2.gz VTAJDXNWRPGMRJ-OAHLLOKOSA-N -1 3 394.265 3.252 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1Br)NCc1cn2cccc(F)c2n1 ZINC001608542736 1126237307 /nfs/dbraw/zinc/23/73/07/1126237307.db2.gz XLXYYWQNPUVGIU-OAHLLOKOSA-N -1 3 392.228 3.021 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccnc3)ccc2C)cc1 ZINC000007777048 221009808 /nfs/dbraw/zinc/00/98/08/221009808.db2.gz WHMAOQUNMILFFW-UHFFFAOYSA-N -1 3 397.456 3.452 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1ccc2c(c1)OCCCO2 ZINC000008877653 221062007 /nfs/dbraw/zinc/06/20/07/221062007.db2.gz ZBWKHJDSLKBRAS-UHFFFAOYSA-N -1 3 397.836 3.073 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000008746374 221053823 /nfs/dbraw/zinc/05/38/23/221053823.db2.gz QITLCLVASCWZLY-MRXNPFEDSA-N -1 3 397.834 3.420 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000008746396 221054232 /nfs/dbraw/zinc/05/42/32/221054232.db2.gz QKGGBDHQLZISOC-INIZCTEOSA-N -1 3 399.369 3.044 20 0 GGADHM O=C(COc1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293400 221100646 /nfs/dbraw/zinc/10/06/46/221100646.db2.gz OAPGZCCTWDUMHJ-UHFFFAOYSA-N -1 3 388.851 3.302 20 0 GGADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000010393803 221102238 /nfs/dbraw/zinc/10/22/38/221102238.db2.gz ZRACKDBSNBJFRF-IBGZPJMESA-N -1 3 388.489 3.434 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000010393871 221102980 /nfs/dbraw/zinc/10/29/80/221102980.db2.gz XHHXCAFZZCUXBO-UHFFFAOYSA-N -1 3 396.852 3.125 20 0 GGADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1OCC ZINC000010493196 221103970 /nfs/dbraw/zinc/10/39/70/221103970.db2.gz ANYNPSJNRNHCFL-UHFFFAOYSA-N -1 3 385.432 3.283 20 0 GGADHM CCn1c2ccccc2nc1NC(=O)c1c[n-]nc1-c1ccc2c(c1)OCCO2 ZINC000010652456 221106561 /nfs/dbraw/zinc/10/65/61/221106561.db2.gz MDVOBZLIDROSMS-UHFFFAOYSA-N -1 3 389.415 3.470 20 0 GGADHM CN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CCCCC1 ZINC000009703976 221089912 /nfs/dbraw/zinc/08/99/12/221089912.db2.gz FSCHEIONSDWRNY-UHFFFAOYSA-N -1 3 397.504 3.404 20 0 GGADHM CNc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000009834246 221092746 /nfs/dbraw/zinc/09/27/46/221092746.db2.gz YXCSBICUCPSIIS-UHFFFAOYSA-N -1 3 377.476 3.430 20 0 GGADHM CC(C)(C)c1nc2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)ccc2[nH]1 ZINC000012520238 221201923 /nfs/dbraw/zinc/20/19/23/221201923.db2.gz UFIPLJVOLUTTAQ-UHFFFAOYSA-N -1 3 386.477 3.484 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ccccn1 ZINC000012633956 221216709 /nfs/dbraw/zinc/21/67/09/221216709.db2.gz RPOXIGSTJPBOSN-UHFFFAOYSA-N -1 3 399.447 3.260 20 0 GGADHM O=c1[n-]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCCc3ccccc3)c12 ZINC000012729139 221222416 /nfs/dbraw/zinc/22/24/16/221222416.db2.gz UWESDPXXRQUDNM-UHFFFAOYSA-N -1 3 380.473 3.027 20 0 GGADHM C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012743488 221223291 /nfs/dbraw/zinc/22/32/91/221223291.db2.gz PEPHMLHKPLSTGE-QGZVFWFLSA-N -1 3 395.503 3.090 20 0 GGADHM C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012743490 221223433 /nfs/dbraw/zinc/22/34/33/221223433.db2.gz PEPHMLHKPLSTGE-KRWDZBQOSA-N -1 3 395.503 3.090 20 0 GGADHM Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000012797489 221233898 /nfs/dbraw/zinc/23/38/98/221233898.db2.gz VACUCXTZEDVCFJ-UHFFFAOYSA-N -1 3 381.476 3.298 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000012759131 221226714 /nfs/dbraw/zinc/22/67/14/221226714.db2.gz BDTGOVOWFKOLIO-UHFFFAOYSA-N -1 3 384.745 3.346 20 0 GGADHM CC(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012773462 221229033 /nfs/dbraw/zinc/22/90/33/221229033.db2.gz GBVBMOADHJYAKN-UHFFFAOYSA-N -1 3 381.432 3.477 20 0 GGADHM CCOC(=O)[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000012773097 221229058 /nfs/dbraw/zinc/22/90/58/221229058.db2.gz IPFWZBQHPYXMOT-GFCCVEGCSA-N -1 3 387.461 3.020 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c(=O)[n-]1 ZINC000012791243 221233115 /nfs/dbraw/zinc/23/31/15/221233115.db2.gz GBVAMMCPDFXLAM-UHFFFAOYSA-N -1 3 387.333 3.038 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1[O-] ZINC000012996340 221254495 /nfs/dbraw/zinc/25/44/95/221254495.db2.gz ASHXSNKMSBKKCQ-UHFFFAOYSA-N -1 3 377.238 3.174 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)cc1 ZINC000013120090 221261779 /nfs/dbraw/zinc/26/17/79/221261779.db2.gz SUUAJPGSUKTZKY-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCSc1ccc(Cl)cc1 ZINC000015423666 221336062 /nfs/dbraw/zinc/33/60/62/221336062.db2.gz MTLFYLRGSULYEH-UHFFFAOYSA-N -1 3 391.923 3.259 20 0 GGADHM C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000015419723 221336148 /nfs/dbraw/zinc/33/61/48/221336148.db2.gz ZBCWILRAOHFRNP-AWEZNQCLSA-N -1 3 376.453 3.499 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)cc1 ZINC000015590741 221337992 /nfs/dbraw/zinc/33/79/92/221337992.db2.gz JSPOKVVGINQNDY-UHFFFAOYSA-N -1 3 376.478 3.190 20 0 GGADHM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC000016124981 221357185 /nfs/dbraw/zinc/35/71/85/221357185.db2.gz DAKZRPYKLQBNSW-UHFFFAOYSA-N -1 3 397.836 3.022 20 0 GGADHM COc1ccc(C(=O)N(C)Cc2cc(Br)ccc2OC)c([O-])c1 ZINC000017957550 221384930 /nfs/dbraw/zinc/38/49/30/221384930.db2.gz HJBMBBVJVXFAEK-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(SC(F)(F)F)cc1 ZINC000018230291 221390920 /nfs/dbraw/zinc/39/09/20/221390920.db2.gz OCDWVJIMKYRZAG-UHFFFAOYSA-N -1 3 387.383 3.198 20 0 GGADHM Cc1sc2ncnc(N3CCC(C(=O)[N-]O[C@H]4CCCCO4)CC3)c2c1C ZINC000065475575 136164059 /nfs/dbraw/zinc/16/40/59/136164059.db2.gz GEOXWWGFWXSKRG-HNNXBMFYSA-N -1 3 390.509 3.099 20 0 GGADHM O=C([O-])CCN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000116391793 136201784 /nfs/dbraw/zinc/20/17/84/136201784.db2.gz HRAJVWHWVGURLD-UHFFFAOYSA-N -1 3 381.192 3.065 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1cccc(Cl)c1F ZINC000056076258 222025684 /nfs/dbraw/zinc/02/56/84/222025684.db2.gz DXELAPAYKVMXOR-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM CC(C)c1nc2cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)ccc2o1 ZINC000056909300 222026927 /nfs/dbraw/zinc/02/69/27/222026927.db2.gz QQKUJNSNMXWNNG-LLVKDONJSA-N -1 3 393.490 3.318 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)s1 ZINC000057021510 222028331 /nfs/dbraw/zinc/02/83/31/222028331.db2.gz CXKSZNRJIVGUID-HNNXBMFYSA-N -1 3 384.910 3.003 20 0 GGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000053541194 222011031 /nfs/dbraw/zinc/01/10/31/222011031.db2.gz KFKQVIQFMIPSOU-CQSZACIVSA-N -1 3 396.534 3.148 20 0 GGADHM O=S(=O)([N-]CCN1CCc2sccc2C1)c1c(Cl)cccc1Cl ZINC000053685950 222012221 /nfs/dbraw/zinc/01/22/21/222012221.db2.gz LXYSBAKZTQNUNK-UHFFFAOYSA-N -1 3 391.345 3.392 20 0 GGADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000055558778 222022092 /nfs/dbraw/zinc/02/20/92/222022092.db2.gz OOTPKIRHMOSRGW-UHFFFAOYSA-N -1 3 396.534 3.401 20 0 GGADHM CCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1 ZINC000055558295 222022774 /nfs/dbraw/zinc/02/27/74/222022774.db2.gz ZGKAUHFPSOPWRK-UHFFFAOYSA-N -1 3 396.534 3.347 20 0 GGADHM Cc1cc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)no1 ZINC000058018743 222037457 /nfs/dbraw/zinc/03/74/57/222037457.db2.gz PWTRGIAWVNFFCR-UHFFFAOYSA-N -1 3 399.472 3.331 20 0 GGADHM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000065223857 222112868 /nfs/dbraw/zinc/11/28/68/222112868.db2.gz AFPTYNSCATVUFO-UHFFFAOYSA-N -1 3 383.429 3.313 20 0 GGADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)n1 ZINC000065514843 222132657 /nfs/dbraw/zinc/13/26/57/222132657.db2.gz BPXWZWHTJRZEIU-GFCCVEGCSA-N -1 3 375.450 3.358 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCN(c4ccc(F)cc4)C3)nc2)n1 ZINC000068691640 222171483 /nfs/dbraw/zinc/17/14/83/222171483.db2.gz LEKFHIXDBGSYIA-HNNXBMFYSA-N -1 3 393.466 3.472 20 0 GGADHM COc1ccccc1[C@@H](CNC(=O)c1cc(Br)ccc1[O-])N(C)C ZINC000069210222 222173647 /nfs/dbraw/zinc/17/36/47/222173647.db2.gz RJMVHBCCIMKTKP-OAHLLOKOSA-N -1 3 393.281 3.196 20 0 GGADHM CN1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000095956558 222364634 /nfs/dbraw/zinc/36/46/34/222364634.db2.gz BWDXCCGLNVSDMZ-QGZVFWFLSA-N -1 3 393.896 3.174 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccncc3)ccc2C)cc1 ZINC000012548578 534188750 /nfs/dbraw/zinc/18/87/50/534188750.db2.gz JRVRPSBVCKWWGB-UHFFFAOYSA-N -1 3 397.456 3.452 20 0 GGADHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000095448000 534266737 /nfs/dbraw/zinc/26/67/37/534266737.db2.gz NYBMWUZWYAWCBV-UHFFFAOYSA-N -1 3 392.452 3.154 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000048332419 525318510 /nfs/dbraw/zinc/31/85/10/525318510.db2.gz JMXOFQKMEPSSHH-QGZVFWFLSA-N -1 3 377.322 3.012 20 0 GGADHM O=C(Nc1nnc2ccccn21)c1n[n-]c(-c2ccccc2)c1Br ZINC000065108025 551185772 /nfs/dbraw/zinc/18/57/72/551185772.db2.gz RDTCRNQIVJMUKD-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM O=C(Nc1nnc2ccccn21)c1[n-]nc(-c2ccccc2)c1Br ZINC000065108025 551185775 /nfs/dbraw/zinc/18/57/75/551185775.db2.gz RDTCRNQIVJMUKD-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000117375075 564226619 /nfs/dbraw/zinc/22/66/19/564226619.db2.gz USRURVNTHGHNAW-RYUDHWBXSA-N -1 3 394.356 3.410 20 0 GGADHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007309290 564235094 /nfs/dbraw/zinc/23/50/94/564235094.db2.gz VPBHZDKCBBEZHX-UHFFFAOYSA-N -1 3 376.297 3.040 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000313467221 565584661 /nfs/dbraw/zinc/58/46/61/565584661.db2.gz FHXUOMDTOCQITA-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000233960815 565933493 /nfs/dbraw/zinc/93/34/93/565933493.db2.gz FELPSINOSIKFQF-GMSGAONNSA-N -1 3 383.105 3.288 20 0 GGADHM CCCSC[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417581140 566163279 /nfs/dbraw/zinc/16/32/79/566163279.db2.gz GYOCXOCXUPVYPL-LBPRGKRZSA-N -1 3 397.253 3.116 20 0 GGADHM O=S(=O)([N-]CCc1cscn1)c1cccc(Cl)c1Br ZINC000493763484 566954001 /nfs/dbraw/zinc/95/40/01/566954001.db2.gz DVOHOVTVEFMKOW-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM Cc1nn2c(nnc2SCc2ccc(Br)cc2Cl)[n-]c1=O ZINC000114860749 564183026 /nfs/dbraw/zinc/18/30/26/564183026.db2.gz LWBSEINVJPEWDF-UHFFFAOYSA-N -1 3 386.662 3.242 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000002456577 564187880 /nfs/dbraw/zinc/18/78/80/564187880.db2.gz XZKIITYKJCUHCN-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)ccc1OC(C)C ZINC000115313082 564190534 /nfs/dbraw/zinc/19/05/34/564190534.db2.gz VUJTZBOKZJYXRM-DEOSSOPVSA-N -1 3 381.519 3.462 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000115507085 564195401 /nfs/dbraw/zinc/19/54/01/564195401.db2.gz XWGPCOXFCDVNBV-LBPRGKRZSA-N -1 3 382.507 3.231 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2C)s1 ZINC000115593219 564196320 /nfs/dbraw/zinc/19/63/20/564196320.db2.gz BECVCDAIPOKVEM-AWEZNQCLSA-N -1 3 380.535 3.083 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nnnn1-c1ccccc1 ZINC000115593682 564196855 /nfs/dbraw/zinc/19/68/55/564196855.db2.gz VQMHOQGVYAXPLT-SNVBAGLBSA-N -1 3 398.275 3.009 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)n[n-]1 ZINC000538683027 564197267 /nfs/dbraw/zinc/19/72/67/564197267.db2.gz KMMQNZOTKVCRAI-UHFFFAOYSA-N -1 3 392.253 3.409 20 0 GGADHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)[n-]n1 ZINC000538683027 564197272 /nfs/dbraw/zinc/19/72/72/564197272.db2.gz KMMQNZOTKVCRAI-UHFFFAOYSA-N -1 3 392.253 3.409 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)CCC2CCCCC2)s1 ZINC000115700818 564197327 /nfs/dbraw/zinc/19/73/27/564197327.db2.gz CICWFYZDVSOBFA-CYBMUJFWSA-N -1 3 387.571 3.204 20 0 GGADHM CC(C)(C)NC(=O)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003536555 564198277 /nfs/dbraw/zinc/19/82/77/564198277.db2.gz JTBGERKGIABRIQ-UHFFFAOYSA-N -1 3 383.474 3.137 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000116357347 564208263 /nfs/dbraw/zinc/20/82/63/564208263.db2.gz ITZWDEYAFSQTGZ-RYUDHWBXSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000116356319 564208684 /nfs/dbraw/zinc/20/86/84/564208684.db2.gz LHIDRFRVJXRPPP-NWDGAFQWSA-N -1 3 393.336 3.355 20 0 GGADHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000116357344 564208733 /nfs/dbraw/zinc/20/87/33/564208733.db2.gz ITZWDEYAFSQTGZ-NEPJUHHUSA-N -1 3 393.336 3.355 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000116378469 564209669 /nfs/dbraw/zinc/20/96/69/564209669.db2.gz XSUGDQOPYQSIJZ-UHFFFAOYSA-N -1 3 381.342 3.489 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nncs3)nc(=O)c2c1C ZINC000004938653 564209623 /nfs/dbraw/zinc/20/96/23/564209623.db2.gz NOWJTWJJIXGBCE-ZETCQYMHSA-N -1 3 382.492 3.175 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1c1ccsc1 ZINC000116463527 564211352 /nfs/dbraw/zinc/21/13/52/564211352.db2.gz YUEHBNUXFARVQH-NSHDSACASA-N -1 3 390.939 3.105 20 0 GGADHM CCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000116979450 564220483 /nfs/dbraw/zinc/22/04/83/564220483.db2.gz HGFCHAQQCQEDIY-UHFFFAOYSA-N -1 3 388.917 3.134 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1[O-] ZINC000116979285 564220695 /nfs/dbraw/zinc/22/06/95/564220695.db2.gz HCMYKURZFKPFKU-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2ccc(Br)o2)c1[O-] ZINC000116979546 564220839 /nfs/dbraw/zinc/22/08/39/564220839.db2.gz MOPNHKYZWOFARU-UHFFFAOYSA-N -1 3 387.617 3.078 20 0 GGADHM Cc1nn2c(nnc2SCC/C=C/c2ccc(Br)cc2)[n-]c1=O ZINC000117111879 564221576 /nfs/dbraw/zinc/22/15/76/564221576.db2.gz BFIXPQNNFIGEJJ-DUXPYHPUSA-N -1 3 392.282 3.491 20 0 GGADHM CN(Cc1ccc(Cl)s1)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117115258 564221762 /nfs/dbraw/zinc/22/17/62/564221762.db2.gz PIIOGPOYQNFGRS-UHFFFAOYSA-N -1 3 379.898 3.332 20 0 GGADHM Cc1ccc2[nH]c(SCC(=O)c3ccc([N-]S(C)(=O)=O)cc3)nc2c1 ZINC000006975457 564229743 /nfs/dbraw/zinc/22/97/43/564229743.db2.gz ZTXZLHDHAGZYBJ-UHFFFAOYSA-N -1 3 375.475 3.218 20 0 GGADHM Cc1ccc2nc(SCC(=O)c3ccc([N-]S(C)(=O)=O)cc3)[nH]c2c1 ZINC000006975457 564229748 /nfs/dbraw/zinc/22/97/48/564229748.db2.gz ZTXZLHDHAGZYBJ-UHFFFAOYSA-N -1 3 375.475 3.218 20 0 GGADHM CCCNc1nnc(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)s1 ZINC000006935277 564230283 /nfs/dbraw/zinc/23/02/83/564230283.db2.gz VZESDYWEKNRJDC-UHFFFAOYSA-N -1 3 395.535 3.461 20 0 GGADHM C[C@@H](Sc1ncnc2sccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007026423 564231175 /nfs/dbraw/zinc/23/11/75/564231175.db2.gz WWZUYMVQFZOGHA-SNVBAGLBSA-N -1 3 393.515 3.426 20 0 GGADHM O=C(COc1ccc(Br)cc1)[N-]c1nncn1Cc1ccccc1 ZINC000117735601 564231249 /nfs/dbraw/zinc/23/12/49/564231249.db2.gz SWDYQWKVTSHQMB-UHFFFAOYSA-N -1 3 387.237 3.106 20 0 GGADHM O=S(=O)([N-]c1ccccc1I)c1ccc(F)c(F)c1 ZINC000007053686 564231781 /nfs/dbraw/zinc/23/17/81/564231781.db2.gz PVUHDCBTEFCKHY-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000007146639 564232644 /nfs/dbraw/zinc/23/26/44/564232644.db2.gz BCZXLCBYTNFHIN-LLVKDONJSA-N -1 3 385.283 3.282 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1OC ZINC000007376181 564236505 /nfs/dbraw/zinc/23/65/05/564236505.db2.gz QGDOOYWAFFRPKN-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM COc1cc(C[N-]S(=O)(=O)c2cc(F)ccc2F)ccc1OC(F)F ZINC000008057949 564245457 /nfs/dbraw/zinc/24/54/57/564245457.db2.gz HZUZEXMSFRXCGY-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM NC(=O)c1csc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c1 ZINC000473393073 564246279 /nfs/dbraw/zinc/24/62/79/564246279.db2.gz HFBXWKICYJISLX-UHFFFAOYSA-N -1 3 382.829 3.410 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccc1C ZINC000008167857 564246878 /nfs/dbraw/zinc/24/68/78/564246878.db2.gz FCFJQIAVRRLZKH-UHFFFAOYSA-N -1 3 384.295 3.287 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]CCc1coc(-c2ccc(C)cc2)n1 ZINC000119042605 564252134 /nfs/dbraw/zinc/25/21/34/564252134.db2.gz VIUJXAQINCXBSS-UHFFFAOYSA-N -1 3 378.475 3.241 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C(=O)c1ccccc1 ZINC000473701149 564252877 /nfs/dbraw/zinc/25/28/77/564252877.db2.gz RISNRRIOEMDDCE-UHFFFAOYSA-N -1 3 389.184 3.195 20 0 GGADHM CCOC(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521383 564253845 /nfs/dbraw/zinc/25/38/45/564253845.db2.gz XPHIZGFEOYNCJV-SECBINFHSA-N -1 3 378.841 3.218 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(F)c2F)cc1OC ZINC000119081045 564254077 /nfs/dbraw/zinc/25/40/77/564254077.db2.gz PFSJMLFWTDWKQP-SECBINFHSA-N -1 3 375.368 3.161 20 0 GGADHM CCCCNC(=O)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010078667 564256081 /nfs/dbraw/zinc/25/60/81/564256081.db2.gz PKZITDGCGZGZAF-UHFFFAOYSA-N -1 3 383.474 3.139 20 0 GGADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC[C@H]1CCCO1 ZINC000010316378 564256850 /nfs/dbraw/zinc/25/68/50/564256850.db2.gz SFDOZQLFZRVNPC-WDEREUQCSA-N -1 3 382.486 3.197 20 0 GGADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000010388788 564257116 /nfs/dbraw/zinc/25/71/16/564257116.db2.gz ZJCZRDSFVUWQFQ-LLVKDONJSA-N -1 3 397.294 3.312 20 0 GGADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ncccn1 ZINC000010428190 564258112 /nfs/dbraw/zinc/25/81/12/564258112.db2.gz SSVWPZKSDPYELF-VIFPVBQESA-N -1 3 376.442 3.330 20 0 GGADHM COC(=O)c1sc2[n-]c(CSc3ncccc3Cl)nc(=O)c2c1C ZINC000011033669 564261756 /nfs/dbraw/zinc/26/17/56/564261756.db2.gz OEAYIMUIRPCLEP-UHFFFAOYSA-N -1 3 381.866 3.420 20 0 GGADHM COc1cc(Br)ccc1CCCNC(=O)c1cccc2nn[n-]c21 ZINC000119243876 564261812 /nfs/dbraw/zinc/26/18/12/564261812.db2.gz XOQKJKUOAPFJCQ-UHFFFAOYSA-N -1 3 389.253 3.092 20 0 GGADHM COc1cc(Br)ccc1CCCNC(=O)c1cccc2[n-]nnc21 ZINC000119243876 564261813 /nfs/dbraw/zinc/26/18/13/564261813.db2.gz XOQKJKUOAPFJCQ-UHFFFAOYSA-N -1 3 389.253 3.092 20 0 GGADHM COc1cc(Br)ccc1CCCNC(=O)c1cccc2n[n-]nc21 ZINC000119243876 564261817 /nfs/dbraw/zinc/26/18/17/564261817.db2.gz XOQKJKUOAPFJCQ-UHFFFAOYSA-N -1 3 389.253 3.092 20 0 GGADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000011427723 564262746 /nfs/dbraw/zinc/26/27/46/564262746.db2.gz XNSIUIMWVMHTKD-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000011717706 564264993 /nfs/dbraw/zinc/26/49/93/564264993.db2.gz RYMBYPKKWUUWSP-OAHLLOKOSA-N -1 3 380.466 3.164 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCc2c1cccc2O ZINC000119305531 564265223 /nfs/dbraw/zinc/26/52/23/564265223.db2.gz RBJRLQXOQVYXKG-AWEZNQCLSA-N -1 3 377.238 3.347 20 0 GGADHM CCNC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000119373134 564268149 /nfs/dbraw/zinc/26/81/49/564268149.db2.gz UDOQKPXUDUOUBM-UHFFFAOYSA-N -1 3 393.317 3.283 20 0 GGADHM Ic1cnc(C[N-]c2nnc(-c3cccs3)o2)s1 ZINC000508688446 564270289 /nfs/dbraw/zinc/27/02/89/564270289.db2.gz XDOPNJZTTVQTSE-UHFFFAOYSA-N -1 3 390.231 3.471 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000119454263 564272389 /nfs/dbraw/zinc/27/23/89/564272389.db2.gz KPFARZZFFYXBCU-KBPBESRZSA-N -1 3 382.507 3.152 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012893962 564272810 /nfs/dbraw/zinc/27/28/10/564272810.db2.gz IGRIMWAPUHPDRL-UHFFFAOYSA-N -1 3 398.264 3.337 20 0 GGADHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119516135 564275179 /nfs/dbraw/zinc/27/51/79/564275179.db2.gz MZWXUPGBCGULRL-LLVKDONJSA-N -1 3 388.536 3.046 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000119541379 564276291 /nfs/dbraw/zinc/27/62/91/564276291.db2.gz UHJIEFIHTUEYCB-OAHLLOKOSA-N -1 3 375.368 3.286 20 0 GGADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C(C)(C)C)no1 ZINC000119612865 564279350 /nfs/dbraw/zinc/27/93/50/564279350.db2.gz ABSHBDQDXYUSOK-VIFPVBQESA-N -1 3 397.273 3.396 20 0 GGADHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000014098602 564279428 /nfs/dbraw/zinc/27/94/28/564279428.db2.gz MPQIKSUZMWJTIZ-TXEJJXNPSA-N -1 3 395.352 3.160 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1ccc(Br)s1 ZINC000014230587 564280957 /nfs/dbraw/zinc/28/09/57/564280957.db2.gz MLIVLYJQYWKYSX-UHFFFAOYSA-N -1 3 398.307 3.175 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1 ZINC000014713331 564283427 /nfs/dbraw/zinc/28/34/27/564283427.db2.gz WFKDEMXABPMRCM-UHFFFAOYSA-N -1 3 375.475 3.381 20 0 GGADHM Cc1nc(-c2ccc(CC[N-]S(=O)(=O)c3c(C)noc3C)cc2)cs1 ZINC000015365986 564286514 /nfs/dbraw/zinc/28/65/14/564286514.db2.gz YLBIHQFRTYBHQM-UHFFFAOYSA-N -1 3 377.491 3.244 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000119833712 564291075 /nfs/dbraw/zinc/29/10/75/564291075.db2.gz ZJSVOHFJJSWPSI-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM CNC(=O)NC(=O)[C@H](C)Sc1nnc([N-]c2c(C)cc(C)cc2Cl)s1 ZINC000016328443 564293264 /nfs/dbraw/zinc/29/32/64/564293264.db2.gz LUDVNFKDGFXTDH-VIFPVBQESA-N -1 3 399.929 3.488 20 0 GGADHM Cc1c(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cccc1C(F)(F)F ZINC000119937493 564295658 /nfs/dbraw/zinc/29/56/58/564295658.db2.gz BTMQIYIMLUKUSD-UHFFFAOYSA-N -1 3 392.424 3.382 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1F ZINC000017522081 564297989 /nfs/dbraw/zinc/29/79/89/564297989.db2.gz AMPREZRTIARCTC-MRXNPFEDSA-N -1 3 379.844 3.281 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1F ZINC000119969815 564298072 /nfs/dbraw/zinc/29/80/72/564298072.db2.gz JZHLMSDABRKMCA-CYBMUJFWSA-N -1 3 386.489 3.217 20 0 GGADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000017521384 564298398 /nfs/dbraw/zinc/29/83/98/564298398.db2.gz FIQLHZKPSUTVSG-INIZCTEOSA-N -1 3 379.844 3.281 20 0 GGADHM COc1cccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2nccn2C)c1 ZINC000017522271 564299375 /nfs/dbraw/zinc/29/93/75/564299375.db2.gz PCGLPSDUXZWTTN-HNNXBMFYSA-N -1 3 397.909 3.212 20 0 GGADHM CSC[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000120040654 564301854 /nfs/dbraw/zinc/30/18/54/564301854.db2.gz YLQQDSLDVHXBJS-LBPRGKRZSA-N -1 3 390.596 3.231 20 0 GGADHM CSC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000120095541 564305118 /nfs/dbraw/zinc/30/51/18/564305118.db2.gz AKYPIMJYZMEHCA-GFCCVEGCSA-N -1 3 382.482 3.108 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC(=O)Nc3ccccc3)s2)cs1 ZINC000120161450 564306805 /nfs/dbraw/zinc/30/68/05/564306805.db2.gz VTZPDWQVZCSJPK-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM COc1ccc(OCC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000021699633 564312147 /nfs/dbraw/zinc/31/21/47/564312147.db2.gz QHCXWRXNGYBLBF-UHFFFAOYSA-N -1 3 375.368 3.071 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(C)c3Br)cc12 ZINC000120338485 564315849 /nfs/dbraw/zinc/31/58/49/564315849.db2.gz LAXBGHNRZYWIFU-UHFFFAOYSA-N -1 3 395.282 3.148 20 0 GGADHM O=c1[n-]c(SC[C@@H]2CCCCO2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000022613934 564318467 /nfs/dbraw/zinc/31/84/67/564318467.db2.gz ZOCGMLGXXWRMBS-ZDUSSCGKSA-N -1 3 376.869 3.423 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2)s1 ZINC000023058160 564322323 /nfs/dbraw/zinc/32/23/23/564322323.db2.gz BGNZHBBTWGRQJR-KRWDZBQOSA-N -1 3 380.535 3.450 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCSCc1ccc(C)cc1 ZINC000023401825 564324501 /nfs/dbraw/zinc/32/45/01/564324501.db2.gz QWYZWLRJNXEEBL-UHFFFAOYSA-N -1 3 385.532 3.055 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000120629288 564329726 /nfs/dbraw/zinc/32/97/26/564329726.db2.gz WTCNUWDNSCUBKO-UHFFFAOYSA-N -1 3 377.846 3.074 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000024485916 564331576 /nfs/dbraw/zinc/33/15/76/564331576.db2.gz SWARHHGCUBLFTM-GFCCVEGCSA-N -1 3 393.408 3.350 20 0 GGADHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000024484567 564331815 /nfs/dbraw/zinc/33/18/15/564331815.db2.gz XXGJUYOFLBJZLH-UHFFFAOYSA-N -1 3 388.272 3.301 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000024485367 564331823 /nfs/dbraw/zinc/33/18/23/564331823.db2.gz CFPRBJIMISIYKE-LBPRGKRZSA-N -1 3 393.408 3.350 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000024485922 564331932 /nfs/dbraw/zinc/33/19/32/564331932.db2.gz SWARHHGCUBLFTM-LBPRGKRZSA-N -1 3 393.408 3.350 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)C[N-]S(=O)(=O)c3cccs3)cc2)cs1 ZINC000024652214 564332484 /nfs/dbraw/zinc/33/24/84/564332484.db2.gz LSXDHUFOZAIRJW-UHFFFAOYSA-N -1 3 393.515 3.097 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000024891478 564334688 /nfs/dbraw/zinc/33/46/88/564334688.db2.gz LMRDQOFYVWAFCE-UHFFFAOYSA-N -1 3 379.488 3.495 20 0 GGADHM COCCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(Br)c1 ZINC000025309582 564336756 /nfs/dbraw/zinc/33/67/56/564336756.db2.gz KTTCEZVHURGPQG-MRXNPFEDSA-N -1 3 377.238 3.368 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000025549664 564339569 /nfs/dbraw/zinc/33/95/69/564339569.db2.gz QCFKFOUINYMUJV-UHFFFAOYSA-N -1 3 396.248 3.400 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2sccc2-n2cccc2)ccc1F ZINC000025670707 564340849 /nfs/dbraw/zinc/34/08/49/564340849.db2.gz OSXIFJFPMJJZDQ-UHFFFAOYSA-N -1 3 379.438 3.302 20 0 GGADHM Cc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C)s1 ZINC000025905513 564342563 /nfs/dbraw/zinc/34/25/63/564342563.db2.gz NVCOQENHSSRZKY-UHFFFAOYSA-N -1 3 384.548 3.010 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000120926168 564343280 /nfs/dbraw/zinc/34/32/80/564343280.db2.gz ACXWWYKJJBIWIY-LLVKDONJSA-N -1 3 386.926 3.120 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000026238668 564344494 /nfs/dbraw/zinc/34/44/94/564344494.db2.gz HEBNREWJNSJNJA-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000026238327 564344624 /nfs/dbraw/zinc/34/46/24/564344624.db2.gz RZZCSWJOOLLCSG-UHFFFAOYSA-N -1 3 377.315 3.432 20 0 GGADHM CC(C)(C)C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000026428747 564346610 /nfs/dbraw/zinc/34/66/10/564346610.db2.gz ZTDGNULWGVWLCG-UHFFFAOYSA-N -1 3 376.869 3.470 20 0 GGADHM CCCCn1nnnc1CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000026473981 564346911 /nfs/dbraw/zinc/34/69/11/564346911.db2.gz ZRYRFYPJDCJBMN-UHFFFAOYSA-N -1 3 379.877 3.116 20 0 GGADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C)ccc3Br)cc12 ZINC000121015686 564347831 /nfs/dbraw/zinc/34/78/31/564347831.db2.gz FPGKEBYVEIITGU-UHFFFAOYSA-N -1 3 395.282 3.148 20 0 GGADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000121025309 564349205 /nfs/dbraw/zinc/34/92/05/564349205.db2.gz UJRPRUSRAIRGJP-UHFFFAOYSA-N -1 3 384.251 3.330 20 0 GGADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000121028742 564349327 /nfs/dbraw/zinc/34/93/27/564349327.db2.gz JUNCNAXYMWXDPQ-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM CCN(Cc1ccc(Cl)s1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000026855184 564350502 /nfs/dbraw/zinc/35/05/02/564350502.db2.gz PTJIIKHGHBJLDH-UHFFFAOYSA-N -1 3 392.955 3.180 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2ncnc3ccsc32)cc1 ZINC000026960564 564351636 /nfs/dbraw/zinc/35/16/36/564351636.db2.gz UPHCERXGKGHLMF-UHFFFAOYSA-N -1 3 379.488 3.038 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccsc1 ZINC000121157722 564355943 /nfs/dbraw/zinc/35/59/43/564355943.db2.gz IJEUXHSTNNHDCI-CQSZACIVSA-N -1 3 379.425 3.094 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000027969842 564358063 /nfs/dbraw/zinc/35/80/63/564358063.db2.gz XLJKPPPDPRRGCO-UWVGGRQHSA-N -1 3 385.379 3.242 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccccc1OC(F)F ZINC000028055292 564359394 /nfs/dbraw/zinc/35/93/94/564359394.db2.gz SIIOSGONAVXTHK-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCC(C)C)c(Br)c1 ZINC000028055682 564359786 /nfs/dbraw/zinc/35/97/86/564359786.db2.gz SWONPKBMLJMRLT-UHFFFAOYSA-N -1 3 392.315 3.340 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCCCC1 ZINC000028649755 564363342 /nfs/dbraw/zinc/36/33/42/564363342.db2.gz VKXNNJNBDAEYOW-UHFFFAOYSA-N -1 3 379.309 3.064 20 0 GGADHM O=S(=O)([N-]CCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000028815219 564364690 /nfs/dbraw/zinc/36/46/90/564364690.db2.gz CRRQCEMRVSKOEZ-UHFFFAOYSA-N -1 3 394.301 3.347 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)NC(c1cccs1)c1cccs1 ZINC000121390635 564366742 /nfs/dbraw/zinc/36/67/42/564366742.db2.gz LLWSWGHELVPAEL-UHFFFAOYSA-N -1 3 398.556 3.055 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000121420738 564368656 /nfs/dbraw/zinc/36/86/56/564368656.db2.gz XUXTWPMKYZFCCX-UHFFFAOYSA-N -1 3 376.438 3.315 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1cccc(Cl)c1Cl ZINC000029393932 564370000 /nfs/dbraw/zinc/37/00/00/564370000.db2.gz XXPXOQPOYJLPHB-UHFFFAOYSA-N -1 3 386.304 3.467 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)cs1 ZINC000029395656 564370081 /nfs/dbraw/zinc/37/00/81/564370081.db2.gz FNBPZLLQXFOMDG-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1 ZINC000029393485 564370091 /nfs/dbraw/zinc/37/00/91/564370091.db2.gz VQHXBUMZXCJMCA-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000121481621 564370436 /nfs/dbraw/zinc/37/04/36/564370436.db2.gz AATUKSJUSKHBFZ-SECBINFHSA-N -1 3 378.397 3.072 20 0 GGADHM O=C(c1cc(Cl)sc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000029688670 564371498 /nfs/dbraw/zinc/37/14/98/564371498.db2.gz FDPHHBPICWPSCJ-UHFFFAOYSA-N -1 3 385.272 3.359 20 0 GGADHM CCCN(CCC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000029896132 564374714 /nfs/dbraw/zinc/37/47/14/564374714.db2.gz IDCPZIJZEOHOIV-LBPRGKRZSA-N -1 3 380.432 3.021 20 0 GGADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cc(Br)ccc1C ZINC000121594266 564376498 /nfs/dbraw/zinc/37/64/98/564376498.db2.gz BGCOXJLMYAGJBU-UHFFFAOYSA-N -1 3 397.250 3.183 20 0 GGADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000030361889 564379683 /nfs/dbraw/zinc/37/96/83/564379683.db2.gz PZMYMLOGRPMOKM-INIZCTEOSA-N -1 3 382.888 3.422 20 0 GGADHM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1c(Cl)cccc1Cl ZINC000030361532 564379970 /nfs/dbraw/zinc/37/99/70/564379970.db2.gz LPURZBAENBAZPK-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000030384055 564379990 /nfs/dbraw/zinc/37/99/90/564379990.db2.gz VDUUQLHDBRCSQJ-NSHDSACASA-N -1 3 387.479 3.189 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cccc(Br)c1C ZINC000121660774 564380322 /nfs/dbraw/zinc/38/03/22/564380322.db2.gz COQUAWLFNZHQFE-UHFFFAOYSA-N -1 3 383.267 3.228 20 0 GGADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1ccc(Cl)s1 ZINC000030431868 564380618 /nfs/dbraw/zinc/38/06/18/564380618.db2.gz PKKCCKDCIBCDLK-UHFFFAOYSA-N -1 3 380.988 3.041 20 0 GGADHM O=S(=O)([N-]CCCOCC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000121658652 564380814 /nfs/dbraw/zinc/38/08/14/564380814.db2.gz FDAOPGDZUKJYEL-UHFFFAOYSA-N -1 3 382.309 3.105 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(F)cc1I ZINC000121759241 564385311 /nfs/dbraw/zinc/38/53/11/564385311.db2.gz SZECOMRZDZLMTC-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(F)cc1I ZINC000121759241 564385315 /nfs/dbraw/zinc/38/53/15/564385315.db2.gz SZECOMRZDZLMTC-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(F)cc1I ZINC000121759241 564385318 /nfs/dbraw/zinc/38/53/18/564385318.db2.gz SZECOMRZDZLMTC-UHFFFAOYSA-N -1 3 398.135 3.061 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)s1 ZINC000031071815 564386136 /nfs/dbraw/zinc/38/61/36/564386136.db2.gz TWYIXIPJHMBGFX-KRWDZBQOSA-N -1 3 384.498 3.199 20 0 GGADHM COc1cc(I)c(Cl)cc1C(=O)[N-]c1nncs1 ZINC000031273416 564388227 /nfs/dbraw/zinc/38/82/27/564388227.db2.gz XAXFPROGJVLJDQ-UHFFFAOYSA-N -1 3 395.609 3.057 20 0 GGADHM CN(CC(=O)Nc1ccc([O-])cc1F)C(=O)c1ccc(Br)s1 ZINC000121844001 564389550 /nfs/dbraw/zinc/38/95/50/564389550.db2.gz HNINFTPDXMYYJC-UHFFFAOYSA-N -1 3 387.230 3.066 20 0 GGADHM CC[C@@H](NC(=O)CSc1nc2nncc-2c(O)[n-]1)c1ccc(Cl)cc1 ZINC000031610810 564390090 /nfs/dbraw/zinc/39/00/90/564390090.db2.gz FKCIZHUKPJNDNO-GFCCVEGCSA-N -1 3 377.857 3.072 20 0 GGADHM CC(C)(C)CCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000031760955 564392906 /nfs/dbraw/zinc/39/29/06/564392906.db2.gz WCVXNMZLORLFHC-UHFFFAOYSA-N -1 3 381.325 3.214 20 0 GGADHM CC(C)c1nnc([N-]C(=O)c2cn(-c3ccccc3Br)nn2)s1 ZINC000031891799 564393519 /nfs/dbraw/zinc/39/35/19/564393519.db2.gz HSOHDKITAGPLEO-UHFFFAOYSA-N -1 3 393.270 3.257 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCSc2ccc(F)cc2)ccc1F ZINC000032001979 564394296 /nfs/dbraw/zinc/39/42/96/564394296.db2.gz NRZFUWMUCDDJSS-UHFFFAOYSA-N -1 3 386.445 3.457 20 0 GGADHM Cc1ccc([C@H]2CCCN2C(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000031940906 564394810 /nfs/dbraw/zinc/39/48/10/564394810.db2.gz WQEYYHKLHVIRQP-MRXNPFEDSA-N -1 3 378.519 3.089 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000031962920 564394864 /nfs/dbraw/zinc/39/48/64/564394864.db2.gz DXECZORMWNZAMR-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000031940992 564395035 /nfs/dbraw/zinc/39/50/35/564395035.db2.gz KCZQXURWMITZKB-HNNXBMFYSA-N -1 3 398.937 3.434 20 0 GGADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000032085283 564395673 /nfs/dbraw/zinc/39/56/73/564395673.db2.gz KPUQCCOQAXJGLH-UHFFFAOYSA-N -1 3 385.482 3.229 20 0 GGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc(Br)s2)c1 ZINC000032411815 564398818 /nfs/dbraw/zinc/39/88/18/564398818.db2.gz GJZAHVFPDAJTGC-UHFFFAOYSA-N -1 3 378.288 3.479 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1cccc(Cl)c1F ZINC000032417999 564399640 /nfs/dbraw/zinc/39/96/40/564399640.db2.gz XQSHLZXGSIFJTN-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1cccc(Cl)c1F ZINC000032416609 564399779 /nfs/dbraw/zinc/39/97/79/564399779.db2.gz ZKSMJZBFGDGLKX-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCC[C@H]1C ZINC000032441072 564400750 /nfs/dbraw/zinc/40/07/50/564400750.db2.gz LQTRLTUKLHBFAA-MNOVXSKESA-N -1 3 381.361 3.052 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(C)c1C(=O)OC)c1nc(C)cs1 ZINC000122139289 564401058 /nfs/dbraw/zinc/40/10/58/564401058.db2.gz ZTHAXICESNVQFM-QGZVFWFLSA-N -1 3 382.507 3.150 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(C)c1C(=O)OC)c1nc(C)cs1 ZINC000122139106 564401064 /nfs/dbraw/zinc/40/10/64/564401064.db2.gz ZTHAXICESNVQFM-KRWDZBQOSA-N -1 3 382.507 3.150 20 0 GGADHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccc(Cl)s3)nc(=O)c2c1C ZINC000032512855 564401855 /nfs/dbraw/zinc/40/18/55/564401855.db2.gz XKZLWEMKQDDDIP-UHFFFAOYSA-N -1 3 397.909 3.427 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1 ZINC000032592178 564402846 /nfs/dbraw/zinc/40/28/46/564402846.db2.gz SBABZYKOJUFINK-UHFFFAOYSA-N -1 3 380.853 3.045 20 0 GGADHM CCCCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@H](C)c1ccccc1 ZINC000122206496 564404141 /nfs/dbraw/zinc/40/41/41/564404141.db2.gz UNQXYSFOKZJVOE-OAHLLOKOSA-N -1 3 380.535 3.416 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000032683388 564404430 /nfs/dbraw/zinc/40/44/30/564404430.db2.gz VUYOZDGAKNJRJD-VIFPVBQESA-N -1 3 393.317 3.211 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c1 ZINC000033560995 564412655 /nfs/dbraw/zinc/41/26/55/564412655.db2.gz CKCFRQXRJRGCFC-UHFFFAOYSA-N -1 3 375.368 3.201 20 0 GGADHM CCCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc(=O)c([O-])co1 ZINC000122399574 564413019 /nfs/dbraw/zinc/41/30/19/564413019.db2.gz VZMLFOVWMGKZIE-UHFFFAOYSA-N -1 3 378.837 3.411 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000122460363 564414859 /nfs/dbraw/zinc/41/48/59/564414859.db2.gz TZEYEDLQTZAFLT-SSDOTTSWSA-N -1 3 379.301 3.463 20 0 GGADHM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2C1=O ZINC000035685661 564415986 /nfs/dbraw/zinc/41/59/86/564415986.db2.gz PKTAWORMNBUPPO-UHFFFAOYSA-N -1 3 385.228 3.020 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000036099757 564416189 /nfs/dbraw/zinc/41/61/89/564416189.db2.gz ITAJJIAFIDWTDF-MRXNPFEDSA-N -1 3 383.901 3.060 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1I)c1ccccc1F ZINC000122525060 564417653 /nfs/dbraw/zinc/41/76/53/564417653.db2.gz REELJEXVAJSVSM-UHFFFAOYSA-N -1 3 395.168 3.370 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2Cl)s1 ZINC000036280049 564417733 /nfs/dbraw/zinc/41/77/33/564417733.db2.gz DEENCTJJYCOHCP-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM O=C(Nc1nncs1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000122546010 564418003 /nfs/dbraw/zinc/41/80/03/564418003.db2.gz UXUFDUUMGLDWQK-UHFFFAOYSA-N -1 3 394.865 3.245 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccc(C)cc1)N(C)C ZINC000038629437 564423035 /nfs/dbraw/zinc/42/30/35/564423035.db2.gz BAQBKJXFHGBYKA-MRXNPFEDSA-N -1 3 382.913 3.238 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1ccccc1Cl)N(C)C ZINC000038630774 564423857 /nfs/dbraw/zinc/42/38/57/564423857.db2.gz IJBZRZXIKWXCJF-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1ccc(Br)s1 ZINC000122932898 564432589 /nfs/dbraw/zinc/43/25/89/564432589.db2.gz MHOPTADSDCNYIB-UHFFFAOYSA-N -1 3 379.326 3.323 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1cc(Cl)ccc1Cl ZINC000041627075 564434750 /nfs/dbraw/zinc/43/47/50/564434750.db2.gz HEDJKKUSSFYLBH-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCCC2)no1 ZINC000041628816 564434756 /nfs/dbraw/zinc/43/47/56/564434756.db2.gz HJAJOXZRIIMAJL-UHFFFAOYSA-N -1 3 375.372 3.145 20 0 GGADHM O=C(Nc1cc2ccc(Br)cn2n1)c1n[n-]nc1-c1ccccc1 ZINC000513733657 564436788 /nfs/dbraw/zinc/43/67/88/564436788.db2.gz RQFJRYAEPLGZHB-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM CCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1S(C)(=O)=O ZINC000123189170 564441392 /nfs/dbraw/zinc/44/13/92/564441392.db2.gz ZIWDEJILTFEFNH-UHFFFAOYSA-N -1 3 398.278 3.373 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000123405897 564448241 /nfs/dbraw/zinc/44/82/41/564448241.db2.gz JSFASYBQWZAMFZ-ZBFHGGJFSA-N -1 3 380.535 3.088 20 0 GGADHM Cc1ccccc1NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000043134796 564453350 /nfs/dbraw/zinc/45/33/50/564453350.db2.gz IBQOFPKDTSTFMF-UHFFFAOYSA-N -1 3 379.507 3.031 20 0 GGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000123724405 564459416 /nfs/dbraw/zinc/45/94/16/564459416.db2.gz VFJSJJVFLAFVFA-BETUJISGSA-N -1 3 398.575 3.406 20 0 GGADHM Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c([O-])c1 ZINC000043732155 564461323 /nfs/dbraw/zinc/46/13/23/564461323.db2.gz CRPVNIXQBBFALX-GFCCVEGCSA-N -1 3 389.249 3.455 20 0 GGADHM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cncc(Br)c1 ZINC000044244795 564464659 /nfs/dbraw/zinc/46/46/59/564464659.db2.gz XJFUANOPBNHCKO-CYBMUJFWSA-N -1 3 385.308 3.360 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)cc1F ZINC000044257212 564465016 /nfs/dbraw/zinc/46/50/16/564465016.db2.gz MYVIXZWYHZHJAR-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1ccc(F)cc1Cl ZINC000044323562 564466637 /nfs/dbraw/zinc/46/66/37/564466637.db2.gz XHUJRBTWNRKOJF-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM O=C(NCc1ccccc1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000124242530 564476063 /nfs/dbraw/zinc/47/60/63/564476063.db2.gz CSCZNWUTLSPHSJ-UHFFFAOYSA-N -1 3 392.527 3.218 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000045204611 564479887 /nfs/dbraw/zinc/47/98/87/564479887.db2.gz MZIBYRNQTDFSHE-NEPJUHHUSA-N -1 3 393.336 3.357 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c([O-])c1 ZINC000045292018 564480466 /nfs/dbraw/zinc/48/04/66/564480466.db2.gz LOJGMPLIDXGBAX-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000124416795 564481596 /nfs/dbraw/zinc/48/15/96/564481596.db2.gz IOIGQLXMMMLWTP-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM Cc1sc2ncnc(SCC(=O)Nc3nnc(C(F)(F)F)[n-]3)c2c1C ZINC000045572022 564485978 /nfs/dbraw/zinc/48/59/78/564485978.db2.gz GEBMCIZMVAOMHW-UHFFFAOYSA-N -1 3 388.400 3.176 20 0 GGADHM Cc1sc2ncnc(SCC(=O)Nc3nc(C(F)(F)F)n[n-]3)c2c1C ZINC000045572022 564485983 /nfs/dbraw/zinc/48/59/83/564485983.db2.gz GEBMCIZMVAOMHW-UHFFFAOYSA-N -1 3 388.400 3.176 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000124589035 564487002 /nfs/dbraw/zinc/48/70/02/564487002.db2.gz WHZIHPYUNQQGNU-WQVCFCJDSA-N -1 3 395.297 3.302 20 0 GGADHM O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc([O-])cc1F ZINC000124616648 564487801 /nfs/dbraw/zinc/48/78/01/564487801.db2.gz CGGAHPBFKOSGAL-UHFFFAOYSA-N -1 3 377.422 3.483 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2ccccc21 ZINC000045670683 564487956 /nfs/dbraw/zinc/48/79/56/564487956.db2.gz KAHNOTRIRPTUSQ-UHFFFAOYSA-N -1 3 399.299 3.251 20 0 GGADHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000045740245 564488457 /nfs/dbraw/zinc/48/84/57/564488457.db2.gz DNMCXANADVDTBB-UHFFFAOYSA-N -1 3 379.309 3.064 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000045809796 564489572 /nfs/dbraw/zinc/48/95/72/564489572.db2.gz ADBAQEAPTWCYOG-SNVBAGLBSA-N -1 3 395.369 3.153 20 0 GGADHM O=S(=O)([N-]Cc1ccoc1)c1cc(Br)ccc1Br ZINC000045814238 564489861 /nfs/dbraw/zinc/48/98/61/564489861.db2.gz ZNJMDTZCKFXNJX-UHFFFAOYSA-N -1 3 395.072 3.283 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C[C@H](C)O)c2ccccc2)c1 ZINC000124715618 564490329 /nfs/dbraw/zinc/49/03/29/564490329.db2.gz NLCLKOLYKFLIEU-ZFWWWQNUSA-N -1 3 383.897 3.182 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCCN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000046038046 564493448 /nfs/dbraw/zinc/49/34/48/564493448.db2.gz MXCTVYLJXQVOQN-RDJZCZTQSA-N -1 3 386.583 3.086 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000046038045 564493551 /nfs/dbraw/zinc/49/35/51/564493551.db2.gz MXCTVYLJXQVOQN-WBVHZDCISA-N -1 3 386.583 3.086 20 0 GGADHM Cc1ccc(NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)cn1 ZINC000124923715 564496921 /nfs/dbraw/zinc/49/69/21/564496921.db2.gz DMHASRRHISJASE-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000124918843 564497586 /nfs/dbraw/zinc/49/75/86/564497586.db2.gz CDPZLGMLUJJMBS-UHFFFAOYSA-N -1 3 394.306 3.463 20 0 GGADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1ccc2nccnc2n1 ZINC000481002086 564500034 /nfs/dbraw/zinc/50/00/34/564500034.db2.gz HYNUVKMVBAJNED-UHFFFAOYSA-N -1 3 386.487 3.482 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCc3c2cccc3Cl)ccc1F ZINC000125057278 564501522 /nfs/dbraw/zinc/50/15/22/564501522.db2.gz PWWJHBBDKGDWGE-HNNXBMFYSA-N -1 3 382.844 3.268 20 0 GGADHM O=S(=O)([N-]C1CC=CC1)c1ccc(Br)cc1Br ZINC000125055222 564501620 /nfs/dbraw/zinc/50/16/20/564501620.db2.gz XGZHVUCDIUHYKW-UHFFFAOYSA-N -1 3 381.089 3.209 20 0 GGADHM C[C@@]1(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000046409086 564502450 /nfs/dbraw/zinc/50/24/50/564502450.db2.gz TWYBNSVIGLBPII-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000046409087 564502541 /nfs/dbraw/zinc/50/25/41/564502541.db2.gz TWYBNSVIGLBPII-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM C[C@]1(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000046409207 564502688 /nfs/dbraw/zinc/50/26/88/564502688.db2.gz TYHMCDQQUJNJKI-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(Cl)cc2cccnc21 ZINC000046487223 564502955 /nfs/dbraw/zinc/50/29/55/564502955.db2.gz KELMJVLWIRCMFX-UHFFFAOYSA-N -1 3 375.837 3.359 20 0 GGADHM O=C(NC[C@@H]1CC=CCC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000125138748 564504660 /nfs/dbraw/zinc/50/46/60/564504660.db2.gz YXTJKWKALLOADT-CYBMUJFWSA-N -1 3 396.559 3.374 20 0 GGADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)oc1C ZINC000046811375 564508299 /nfs/dbraw/zinc/50/82/99/564508299.db2.gz UEXUDLCYWZXRMQ-UHFFFAOYSA-N -1 3 378.233 3.160 20 0 GGADHM Cc1cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1Br ZINC000046851504 564509196 /nfs/dbraw/zinc/50/91/96/564509196.db2.gz RPKSHFBGXOUQMM-UHFFFAOYSA-N -1 3 392.253 3.015 20 0 GGADHM CN(Cc1csc2ccccc12)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000046920257 564510364 /nfs/dbraw/zinc/51/03/64/564510364.db2.gz FGJGKIVFYBKIBE-UHFFFAOYSA-N -1 3 394.543 3.290 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)N(C)C)c1 ZINC000047032897 564512017 /nfs/dbraw/zinc/51/20/17/564512017.db2.gz VATGKHXEUZKGNQ-MRXNPFEDSA-N -1 3 386.876 3.069 20 0 GGADHM C[C@]1(c2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000047167219 564514152 /nfs/dbraw/zinc/51/41/52/564514152.db2.gz FEHVWLVVYBXRMJ-QGZVFWFLSA-N -1 3 378.215 3.300 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Br)cc1 ZINC000047327620 564518214 /nfs/dbraw/zinc/51/82/14/564518214.db2.gz TXLXASUTMASMTK-UHFFFAOYSA-N -1 3 399.248 3.084 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(Br)cc2)n1 ZINC000125546725 564518818 /nfs/dbraw/zinc/51/88/18/564518818.db2.gz BUEMFRYIHMFANP-UHFFFAOYSA-N -1 3 382.283 3.379 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1c(Cl)cccc1Cl ZINC000047407112 564519688 /nfs/dbraw/zinc/51/96/88/564519688.db2.gz DQJNVDUOSDAPGK-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1 ZINC000047417175 564520192 /nfs/dbraw/zinc/52/01/92/564520192.db2.gz PXUOWQJTMCTPNM-UHFFFAOYSA-N -1 3 379.488 3.499 20 0 GGADHM CCc1cnc(S(=O)(=O)Cc2coc(-c3ccc(Br)cc3)n2)[n-]1 ZINC000125682357 564522409 /nfs/dbraw/zinc/52/24/09/564522409.db2.gz UIESXJNWHLPSFG-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)Cc2coc(-c3ccc(Br)cc3)n2)n1 ZINC000125682357 564522415 /nfs/dbraw/zinc/52/24/15/564522415.db2.gz UIESXJNWHLPSFG-UHFFFAOYSA-N -1 3 396.266 3.364 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000125675913 564522893 /nfs/dbraw/zinc/52/28/93/564522893.db2.gz IUFLZKLKPGWZRU-GFCCVEGCSA-N -1 3 385.942 3.300 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Cl)cn1)c1ccccc1C(F)(F)F ZINC000125687714 564523947 /nfs/dbraw/zinc/52/39/47/564523947.db2.gz AXTQBXUZCRZFSV-UHFFFAOYSA-N -1 3 380.775 3.111 20 0 GGADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3ncc(CC)[n-]3)cs2)cc1 ZINC000125752950 564525601 /nfs/dbraw/zinc/52/56/01/564525601.db2.gz RTZIYHXEAMOVOV-UHFFFAOYSA-N -1 3 377.491 3.468 20 0 GGADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3nc(CC)c[n-]3)cs2)cc1 ZINC000125752950 564525604 /nfs/dbraw/zinc/52/56/04/564525604.db2.gz RTZIYHXEAMOVOV-UHFFFAOYSA-N -1 3 377.491 3.468 20 0 GGADHM CCc1cnc(S(=O)(=O)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n-]1 ZINC000125786063 564527144 /nfs/dbraw/zinc/52/71/44/564527144.db2.gz CCBUXTQEUKLJKJ-UHFFFAOYSA-N -1 3 396.683 3.345 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000125786063 564527151 /nfs/dbraw/zinc/52/71/51/564527151.db2.gz CCBUXTQEUKLJKJ-UHFFFAOYSA-N -1 3 396.683 3.345 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000125829015 564527925 /nfs/dbraw/zinc/52/79/25/564527925.db2.gz YVACYKQFLDZARU-BMIGLBTASA-N -1 3 383.466 3.276 20 0 GGADHM Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000125963087 564531862 /nfs/dbraw/zinc/53/18/62/564531862.db2.gz HEIPIGBEAWWLPA-UHFFFAOYSA-N -1 3 398.278 3.266 20 0 GGADHM O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000125980076 564533161 /nfs/dbraw/zinc/53/31/61/564533161.db2.gz WNYYDRGKIFMWGT-UHFFFAOYSA-N -1 3 377.194 3.091 20 0 GGADHM O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc(Br)cc1[O-] ZINC000126011348 564533889 /nfs/dbraw/zinc/53/38/89/564533889.db2.gz DGVGGJXIJNHQFK-UHFFFAOYSA-N -1 3 391.221 3.057 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000126005721 564534047 /nfs/dbraw/zinc/53/40/47/564534047.db2.gz OHJRQLVAZNVKFZ-NSHDSACASA-N -1 3 379.185 3.358 20 0 GGADHM Cc1ccc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c([O-])c1 ZINC000048323674 564536457 /nfs/dbraw/zinc/53/64/57/564536457.db2.gz VIAUYNDJOFQARK-CQSZACIVSA-N -1 3 389.249 3.455 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@@H](c2ccco2)C1 ZINC000126147608 564538716 /nfs/dbraw/zinc/53/87/16/564538716.db2.gz ACQQTZSPPCMQBZ-OAHLLOKOSA-N -1 3 381.226 3.031 20 0 GGADHM Cc1ccc([C@H]2COCCN2C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000126145420 564538875 /nfs/dbraw/zinc/53/88/75/564538875.db2.gz XXIIDHYPHVYYEU-CQSZACIVSA-N -1 3 395.253 3.339 20 0 GGADHM COCCN(Cc1ccco1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126244787 564541617 /nfs/dbraw/zinc/54/16/17/564541617.db2.gz CFOQKEDXATXHDA-UHFFFAOYSA-N -1 3 383.242 3.106 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CN1C1CC1 ZINC000126250513 564541694 /nfs/dbraw/zinc/54/16/94/564541694.db2.gz ATECTYNDZVLCOZ-ONGXEEELSA-N -1 3 393.734 3.006 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000126253526 564543015 /nfs/dbraw/zinc/54/30/15/564543015.db2.gz OAUCVKUVPWTCCL-GXSJLCMTSA-N -1 3 382.835 3.262 20 0 GGADHM O=C(NCCCNc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000126280841 564543458 /nfs/dbraw/zinc/54/34/58/564543458.db2.gz QIZBNBAKUVECJW-UHFFFAOYSA-N -1 3 378.270 3.456 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)s1 ZINC000126296493 564543569 /nfs/dbraw/zinc/54/35/69/564543569.db2.gz MUAYEKDUGJFIMQ-VIFPVBQESA-N -1 3 392.955 3.181 20 0 GGADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000126382343 564547602 /nfs/dbraw/zinc/54/76/02/564547602.db2.gz OVUIXIGWRRNVKQ-NSHDSACASA-N -1 3 386.882 3.304 20 0 GGADHM CCC(CC)[C@H](C[N-]S(=O)(=O)c1sccc1Br)N(C)C ZINC000049061222 564548247 /nfs/dbraw/zinc/54/82/47/564548247.db2.gz LEJMQRPKUJEHLY-LBPRGKRZSA-N -1 3 383.377 3.155 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(Br)cc1Cl ZINC000049334672 564550181 /nfs/dbraw/zinc/55/01/81/564550181.db2.gz XCWZHWDMZMANID-UHFFFAOYSA-N -1 3 379.663 3.186 20 0 GGADHM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126477511 564550415 /nfs/dbraw/zinc/55/04/15/564550415.db2.gz FCXHHWUQGCPNOE-LBPRGKRZSA-N -1 3 387.299 3.185 20 0 GGADHM O=C(CN1C(=O)CCc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000126497532 564551623 /nfs/dbraw/zinc/55/16/23/564551623.db2.gz CMYDLODDKZFNPI-UHFFFAOYSA-N -1 3 375.222 3.073 20 0 GGADHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1cc(Br)ccc1[O-] ZINC000126543830 564553446 /nfs/dbraw/zinc/55/34/46/564553446.db2.gz OGGGFXJDIFEMTD-UHFFFAOYSA-N -1 3 390.237 3.286 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1OC ZINC000050040540 564555633 /nfs/dbraw/zinc/55/56/33/564555633.db2.gz DFRPACLFNRKTND-NSHDSACASA-N -1 3 383.495 3.401 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCN(C(C)C)CC3)c2)s1 ZINC000126955850 564568539 /nfs/dbraw/zinc/56/85/39/564568539.db2.gz JUAHACMWWWJQKZ-UHFFFAOYSA-N -1 3 379.551 3.388 20 0 GGADHM C[C@]1(c2ccc(NC(=O)CCc3ccc(Cl)s3)cc2)NC(=O)[N-]C1=O ZINC000052663744 564575538 /nfs/dbraw/zinc/57/55/38/564575538.db2.gz SYSSBEFTYUCMAS-QGZVFWFLSA-N -1 3 377.853 3.027 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000127267449 564578990 /nfs/dbraw/zinc/57/89/90/564578990.db2.gz GIUQEIGXEJCCQI-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccccc1Cl ZINC000127257935 564579057 /nfs/dbraw/zinc/57/90/57/564579057.db2.gz ZCICTJJGFFWVEP-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000127315972 564579810 /nfs/dbraw/zinc/57/98/10/564579810.db2.gz HZJONOCSHBMRAO-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1N1CCNC1=O ZINC000053500706 564589200 /nfs/dbraw/zinc/58/92/00/564589200.db2.gz BBPWDKJOPNRMPO-UHFFFAOYSA-N -1 3 390.237 3.245 20 0 GGADHM O=C([N-]c1cc(F)c(F)c(F)c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000127659325 564591790 /nfs/dbraw/zinc/59/17/90/564591790.db2.gz WVFWTTRXLHMUIG-UHFFFAOYSA-N -1 3 390.408 3.202 20 0 GGADHM O=C(CCc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742378 564593994 /nfs/dbraw/zinc/59/39/94/564593994.db2.gz MWEMDZCNZNXELZ-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742825 564594049 /nfs/dbraw/zinc/59/40/49/564594049.db2.gz JXACDQKUWBKGES-GFCCVEGCSA-N -1 3 378.881 3.072 20 0 GGADHM CC(C)c1ncc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000127860505 564598921 /nfs/dbraw/zinc/59/89/21/564598921.db2.gz IGJSJLQWQZURLE-UHFFFAOYSA-N -1 3 379.960 3.050 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(Cl)s1 ZINC000128047255 564605435 /nfs/dbraw/zinc/60/54/35/564605435.db2.gz KSAFMZOCMAVEPQ-VIFPVBQESA-N -1 3 378.306 3.007 20 0 GGADHM CCCCCS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000128314683 564614347 /nfs/dbraw/zinc/61/43/47/564614347.db2.gz JQCKMENGDUNFMX-ZDUSSCGKSA-N -1 3 376.404 3.023 20 0 GGADHM CCCCC[C@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000055068594 564614871 /nfs/dbraw/zinc/61/48/71/564614871.db2.gz BASLCUWRNWCARY-AWEZNQCLSA-N -1 3 387.571 3.169 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(Cl)c3cccnc23)s1 ZINC000128335905 564615135 /nfs/dbraw/zinc/61/51/35/564615135.db2.gz ZAVHWJXLDJAXHO-UHFFFAOYSA-N -1 3 376.825 3.098 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(Br)s2)c1 ZINC000055164137 564615231 /nfs/dbraw/zinc/61/52/31/564615231.db2.gz NFCDBNYARUFWJK-UHFFFAOYSA-N -1 3 383.267 3.147 20 0 GGADHM CN(CC[N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000055221815 564617407 /nfs/dbraw/zinc/61/74/07/564617407.db2.gz YYKFMYDJDRWKAU-UHFFFAOYSA-N -1 3 387.274 3.003 20 0 GGADHM O=S(=O)([N-]CCc1cc(F)cc2c1OCOC2)c1cccc(Cl)c1F ZINC000055246190 564617623 /nfs/dbraw/zinc/61/76/23/564617623.db2.gz JMOVPVHZASUUKL-UHFFFAOYSA-N -1 3 389.807 3.006 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCCCC1 ZINC000055257172 564618466 /nfs/dbraw/zinc/61/84/66/564618466.db2.gz ORHXOEBWFBVPMW-UHFFFAOYSA-N -1 3 398.834 3.040 20 0 GGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(F)cc3Br)cn2c1 ZINC000055295956 564619411 /nfs/dbraw/zinc/61/94/11/564619411.db2.gz TVOOFQMEJMQCFW-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM CNC(=O)c1sc2[n-]c(Cc3ccc(Br)cc3)nc(=O)c2c1C ZINC000055502099 564622328 /nfs/dbraw/zinc/62/23/28/564622328.db2.gz YPLWSNHPAFEDIN-UHFFFAOYSA-N -1 3 392.278 3.006 20 0 GGADHM O=C(Cc1nc(=O)c2c([n-]1)sc1c2CCCS1)Nc1ccccc1F ZINC000055502733 564622618 /nfs/dbraw/zinc/62/26/18/564622618.db2.gz SNIIFTXDECMDPA-UHFFFAOYSA-N -1 3 375.450 3.343 20 0 GGADHM Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000055546854 564623415 /nfs/dbraw/zinc/62/34/15/564623415.db2.gz YYHOTXJSFFPAFB-UHFFFAOYSA-N -1 3 382.507 3.093 20 0 GGADHM CNC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1Cl ZINC000055648401 564628387 /nfs/dbraw/zinc/62/83/87/564628387.db2.gz NOJFFTKIOJBEAE-UHFFFAOYSA-N -1 3 382.869 3.126 20 0 GGADHM CC(=O)c1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000128758817 564629577 /nfs/dbraw/zinc/62/95/77/564629577.db2.gz VZELMWNZGJBOSZ-UHFFFAOYSA-N -1 3 376.862 3.134 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)cc1OC ZINC000055676695 564629785 /nfs/dbraw/zinc/62/97/85/564629785.db2.gz DGBXHTHJDJNDSJ-UHFFFAOYSA-N -1 3 384.841 3.116 20 0 GGADHM COC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000128786106 564630027 /nfs/dbraw/zinc/63/00/27/564630027.db2.gz QSJSPFKKKYIUGL-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056059165 564638587 /nfs/dbraw/zinc/63/85/87/564638587.db2.gz XUNHRHOHKNKASJ-SECBINFHSA-N -1 3 378.397 3.072 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1F ZINC000056064123 564639255 /nfs/dbraw/zinc/63/92/55/564639255.db2.gz FEDZKOLANPPAIN-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000056064127 564639726 /nfs/dbraw/zinc/63/97/26/564639726.db2.gz MUINMYJSCWTFFE-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129142521 564639962 /nfs/dbraw/zinc/63/99/62/564639962.db2.gz AREOQBGKWFYASD-OAHLLOKOSA-N -1 3 378.416 3.435 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(OC)c1 ZINC000056122366 564642104 /nfs/dbraw/zinc/64/21/04/564642104.db2.gz OHFDSXMMKNLKFM-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cccc([O-])c1F ZINC000129311701 564645376 /nfs/dbraw/zinc/64/53/76/564645376.db2.gz UJJMLIUDAQRJAU-ZETCQYMHSA-N -1 3 387.230 3.112 20 0 GGADHM Cc1cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000129369862 564646481 /nfs/dbraw/zinc/64/64/81/564646481.db2.gz KXHOWJKXARDTRY-SNVBAGLBSA-N -1 3 392.424 3.381 20 0 GGADHM Cc1cc(O[C@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1Cl ZINC000056409769 564648109 /nfs/dbraw/zinc/64/81/09/564648109.db2.gz OESNQVHSUSIBKA-GFCCVEGCSA-N -1 3 382.869 3.426 20 0 GGADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000129479324 564650231 /nfs/dbraw/zinc/65/02/31/564650231.db2.gz ZTUMQTKREDQAAC-UHFFFAOYSA-N -1 3 380.293 3.394 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000129516116 564651141 /nfs/dbraw/zinc/65/11/41/564651141.db2.gz ZVMICFJVZKNWOR-LBPRGKRZSA-N -1 3 393.212 3.285 20 0 GGADHM CC[C@@H](C)Oc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000057070473 564659119 /nfs/dbraw/zinc/65/91/19/564659119.db2.gz BXZGFTPRBDNUHM-CYBMUJFWSA-N -1 3 382.507 3.233 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000129739390 564659310 /nfs/dbraw/zinc/65/93/10/564659310.db2.gz ZXDQZIZEYWFHSZ-CYBMUJFWSA-N -1 3 380.828 3.339 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000057118714 564661027 /nfs/dbraw/zinc/66/10/27/564661027.db2.gz BLPRZTWQSBWYDS-UHFFFAOYSA-N -1 3 378.841 3.366 20 0 GGADHM CC[C@H]1CCc2nc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)sc2C1 ZINC000057179654 564662321 /nfs/dbraw/zinc/66/23/21/564662321.db2.gz MSWMWVZWTCEFSY-NSHDSACASA-N -1 3 379.507 3.282 20 0 GGADHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1nc(-c2ccccn2)n[n-]1 ZINC000057173000 564662465 /nfs/dbraw/zinc/66/24/65/564662465.db2.gz KRXMWAIGFVMXTJ-UHFFFAOYSA-N -1 3 394.287 3.467 20 0 GGADHM CCC(CC)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cccs1 ZINC000057255320 564664112 /nfs/dbraw/zinc/66/41/12/564664112.db2.gz DXMDYALJTZKVJQ-INIZCTEOSA-N -1 3 386.564 3.382 20 0 GGADHM CC[C@H](C)Oc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000057300490 564665165 /nfs/dbraw/zinc/66/51/65/564665165.db2.gz OMRVDZJRUYIPLI-QWHCGFSZSA-N -1 3 382.507 3.231 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000130026213 564668009 /nfs/dbraw/zinc/66/80/09/564668009.db2.gz MUNOFWRSOVYUBD-CYBMUJFWSA-N -1 3 393.237 3.381 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1n[n-]c(-c2ccccc2)c1Br ZINC000057558486 564669821 /nfs/dbraw/zinc/66/98/21/564669821.db2.gz HGSRGIGEZDBUED-UHFFFAOYSA-N -1 3 397.232 3.335 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1[n-]nc(-c2ccccc2)c1Br ZINC000057558486 564669823 /nfs/dbraw/zinc/66/98/23/564669823.db2.gz HGSRGIGEZDBUED-UHFFFAOYSA-N -1 3 397.232 3.335 20 0 GGADHM Cc1cccc(NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)n1 ZINC000130270250 564675061 /nfs/dbraw/zinc/67/50/61/564675061.db2.gz CDVWFOKZGBTVGQ-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM CCCc1cc(Sc2nnc([N-]CC(F)(F)F)s2)n2ncnc2n1 ZINC000057829463 564675083 /nfs/dbraw/zinc/67/50/83/564675083.db2.gz PANVDTYAQAEZFZ-UHFFFAOYSA-N -1 3 375.405 3.054 20 0 GGADHM O=S(=O)([N-]c1ccccc1F)c1cc2c(cc1Br)OCCO2 ZINC000057819579 564675265 /nfs/dbraw/zinc/67/52/65/564675265.db2.gz YMKOHXPFKJLXMZ-UHFFFAOYSA-N -1 3 388.214 3.160 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000057960883 564678588 /nfs/dbraw/zinc/67/85/88/564678588.db2.gz DUARJCBGATYPHI-UHFFFAOYSA-N -1 3 384.251 3.345 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc([C@@H]2CCCO2)s1 ZINC000130571709 564685865 /nfs/dbraw/zinc/68/58/65/564685865.db2.gz OGGHLYMPQVQFFD-LBPRGKRZSA-N -1 3 383.267 3.393 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000130626829 564688025 /nfs/dbraw/zinc/68/80/25/564688025.db2.gz CZQXZXCNDKLCTD-UHFFFAOYSA-N -1 3 383.363 3.012 20 0 GGADHM COc1cccc([C@H](CNC(=O)c2ccc(Br)cc2[O-])N(C)C)c1 ZINC000060108316 564694784 /nfs/dbraw/zinc/69/47/84/564694784.db2.gz ZXLQRDLBGTWOSM-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)cc1C(=O)N(C)C ZINC000131016587 564698365 /nfs/dbraw/zinc/69/83/65/564698365.db2.gz NPISPFUGVFBBNY-UHFFFAOYSA-N -1 3 382.869 3.160 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(c2cccc(Br)c2)CCC1 ZINC000060510523 564700208 /nfs/dbraw/zinc/70/02/08/564700208.db2.gz YBLUBEFNNABXMJ-UHFFFAOYSA-N -1 3 385.283 3.412 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c(F)cc1F ZINC000131098459 564700409 /nfs/dbraw/zinc/70/04/09/564700409.db2.gz IWSAWFWBILUYMI-UHFFFAOYSA-N -1 3 381.429 3.270 20 0 GGADHM COc1cccc(Cc2nnc([N-]C(=O)c3nc(C)ncc3Cl)s2)c1 ZINC000525643608 564704839 /nfs/dbraw/zinc/70/48/39/564704839.db2.gz RUWIIAFEHWJQLH-UHFFFAOYSA-N -1 3 375.841 3.142 20 0 GGADHM CS[C@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000131295019 564707214 /nfs/dbraw/zinc/70/72/14/564707214.db2.gz IATXQSJKKRVCOF-GFCCVEGCSA-N -1 3 382.482 3.108 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000061632052 564708416 /nfs/dbraw/zinc/70/84/16/564708416.db2.gz ZWDDELMZUYGBHR-KGLIPLIRSA-N -1 3 387.571 3.060 20 0 GGADHM Cc1cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])ccc1Cl ZINC000131526862 564715103 /nfs/dbraw/zinc/71/51/03/564715103.db2.gz QOIJQJTURKIFKX-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccc(Br)cc2)n[n-]1 ZINC000063497613 564717970 /nfs/dbraw/zinc/71/79/70/564717970.db2.gz OCWSBPMHJQEEAB-UHFFFAOYSA-N -1 3 396.248 3.319 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@@H](c3ccc(Br)cc3)C2)on1 ZINC000063580661 564718610 /nfs/dbraw/zinc/71/86/10/564718610.db2.gz BQQGUSVNPGGNSS-IUODEOHRSA-N -1 3 394.269 3.146 20 0 GGADHM CCN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000063646034 564719675 /nfs/dbraw/zinc/71/96/75/564719675.db2.gz AEOZQSKZOKQZIS-UHFFFAOYSA-N -1 3 393.336 3.453 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC000063766199 564722327 /nfs/dbraw/zinc/72/23/27/564722327.db2.gz NNTAHPIGVDKSIT-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000063766162 564722605 /nfs/dbraw/zinc/72/26/05/564722605.db2.gz JRPXXTMEFSDKSZ-UHFFFAOYSA-N -1 3 391.251 3.358 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC(C)(C)C2CCCCC2)s1 ZINC000131810545 564724442 /nfs/dbraw/zinc/72/44/42/564724442.db2.gz CUAZWFZVRKNUSQ-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC[C@@H]1C ZINC000131849004 564726306 /nfs/dbraw/zinc/72/63/06/564726306.db2.gz IIPYCSJOYUSPQN-RYUDHWBXSA-N -1 3 393.336 3.166 20 0 GGADHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000131849200 564726418 /nfs/dbraw/zinc/72/64/18/564726418.db2.gz IIPYCSJOYUSPQN-VXGBXAGGSA-N -1 3 393.336 3.166 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000064374729 564727920 /nfs/dbraw/zinc/72/79/20/564727920.db2.gz RVOWNBADIAPZCV-UHFFFAOYSA-N -1 3 380.853 3.058 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1=O ZINC000131995184 564730523 /nfs/dbraw/zinc/73/05/23/564730523.db2.gz HNGBOSMUSSGLRM-UHFFFAOYSA-N -1 3 380.775 3.341 20 0 GGADHM CCCOc1cc(C)ccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064859834 564736083 /nfs/dbraw/zinc/73/60/83/564736083.db2.gz VZCYIGBLISCETN-ZDUSSCGKSA-N -1 3 382.507 3.151 20 0 GGADHM Cc1ccc([C@H]2CCCN2C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000064856564 564736154 /nfs/dbraw/zinc/73/61/54/564736154.db2.gz GQXBAAPQAPMXSL-GOEBONIOSA-N -1 3 378.519 3.087 20 0 GGADHM COc1ccc(CCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1OC ZINC000064938437 564736630 /nfs/dbraw/zinc/73/66/30/564736630.db2.gz NFMAYDAMNGNJEL-UHFFFAOYSA-N -1 3 387.860 3.407 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1Cl ZINC000132261970 564738198 /nfs/dbraw/zinc/73/81/98/564738198.db2.gz LKRDQXBPCTZJIL-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC[C@@H]1C ZINC000132294530 564738379 /nfs/dbraw/zinc/73/83/79/564738379.db2.gz ZELCYRZEJMTOMV-STQMWFEESA-N -1 3 398.575 3.406 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccs1 ZINC000065012437 564738646 /nfs/dbraw/zinc/73/86/46/564738646.db2.gz GGPIYHMBLNFSJW-UHFFFAOYSA-N -1 3 387.408 3.431 20 0 GGADHM CSc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000132299460 564739523 /nfs/dbraw/zinc/73/95/23/564739523.db2.gz FASCWTAZEDDENV-UHFFFAOYSA-N -1 3 395.278 3.132 20 0 GGADHM Cc1c(Br)cccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000132304966 564739647 /nfs/dbraw/zinc/73/96/47/564739647.db2.gz AHERDCCOZVAGJQ-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM C[C@H](CCc1cccn1C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000132313654 564739937 /nfs/dbraw/zinc/73/99/37/564739937.db2.gz YVZPWCQTTQBUMT-GFCCVEGCSA-N -1 3 380.286 3.314 20 0 GGADHM NC(=O)c1ccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)cc1 ZINC000065215097 564741949 /nfs/dbraw/zinc/74/19/49/564741949.db2.gz GEUKUXKIMLDWFL-UHFFFAOYSA-N -1 3 385.221 3.190 20 0 GGADHM NC(=O)c1ccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)cc1 ZINC000065215097 564741952 /nfs/dbraw/zinc/74/19/52/564741952.db2.gz GEUKUXKIMLDWFL-UHFFFAOYSA-N -1 3 385.221 3.190 20 0 GGADHM O=S(=O)([N-]CCc1cc(Br)ccc1F)c1ccc(F)cc1F ZINC000065277825 564742038 /nfs/dbraw/zinc/74/20/38/564742038.db2.gz ADQRFVHJFUFFJE-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM O=S(=O)([N-]CCc1cc(Br)ccc1F)c1cc(F)cc(F)c1 ZINC000065277754 564742068 /nfs/dbraw/zinc/74/20/68/564742068.db2.gz BDBMGPHZKNFZQQ-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM O=S(=O)([N-]CCn1cnnc1C1CC1)c1cc2cc(Cl)ccc2s1 ZINC000132425797 564742910 /nfs/dbraw/zinc/74/29/10/564742910.db2.gz UCHFJTRYYPCFSD-UHFFFAOYSA-N -1 3 382.898 3.002 20 0 GGADHM Cc1ccc(C(=O)N2CCC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000065626840 564745657 /nfs/dbraw/zinc/74/56/57/564745657.db2.gz LNCYLXFYONYWOS-UHFFFAOYSA-N -1 3 382.844 3.434 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1nnc(C(F)(F)F)[n-]1 ZINC000132582449 564747738 /nfs/dbraw/zinc/74/77/38/564747738.db2.gz DSOBYQMEWAVUSJ-UHFFFAOYSA-N -1 3 388.147 3.249 20 0 GGADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1nc(C(F)(F)F)n[n-]1 ZINC000132582449 564747741 /nfs/dbraw/zinc/74/77/41/564747741.db2.gz DSOBYQMEWAVUSJ-UHFFFAOYSA-N -1 3 388.147 3.249 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000132576060 564747984 /nfs/dbraw/zinc/74/79/84/564747984.db2.gz HWKWNVOHBNEFGI-DZGCQCFKSA-N -1 3 383.828 3.100 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2cccs2)cc1OC ZINC000065751223 564748786 /nfs/dbraw/zinc/74/87/86/564748786.db2.gz HNWGQUWKMCUMJM-UHFFFAOYSA-N -1 3 383.495 3.182 20 0 GGADHM Cn1nc2c(c1NC(=O)c1n[n-]c(-c3ccccc3)c1Br)CCC2 ZINC000065893885 564751651 /nfs/dbraw/zinc/75/16/51/564751651.db2.gz VYISFHHJIOHXAG-UHFFFAOYSA-N -1 3 386.253 3.314 20 0 GGADHM Cn1nc2c(c1NC(=O)c1[n-]nc(-c3ccccc3)c1Br)CCC2 ZINC000065893885 564751655 /nfs/dbraw/zinc/75/16/55/564751655.db2.gz VYISFHHJIOHXAG-UHFFFAOYSA-N -1 3 386.253 3.314 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000065971978 564752615 /nfs/dbraw/zinc/75/26/15/564752615.db2.gz GPKVYXHHSSIONJ-UHFFFAOYSA-N -1 3 392.221 3.085 20 0 GGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)Cc1ccccc1 ZINC000132837340 564754950 /nfs/dbraw/zinc/75/49/50/564754950.db2.gz PUORPMXLFXMGPO-HNNXBMFYSA-N -1 3 377.282 3.057 20 0 GGADHM CN(C)CCOc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000066046982 564755126 /nfs/dbraw/zinc/75/51/26/564755126.db2.gz RETJOZCWQASDBX-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM COc1cccc([C@@H](CNC(=O)c2ccc(Br)c([O-])c2)N(C)C)c1 ZINC000132840450 564755130 /nfs/dbraw/zinc/75/51/30/564755130.db2.gz PSNBVGYLGHTJEX-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132910494 564756812 /nfs/dbraw/zinc/75/68/12/564756812.db2.gz RICLQIJIGNDSCK-VIFPVBQESA-N -1 3 385.222 3.273 20 0 GGADHM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132910675 564756933 /nfs/dbraw/zinc/75/69/33/564756933.db2.gz RICLQIJIGNDSCK-SECBINFHSA-N -1 3 385.222 3.273 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(I)c(F)c1 ZINC000132954193 564757905 /nfs/dbraw/zinc/75/79/05/564757905.db2.gz GODZHPZBUYQOKG-UHFFFAOYSA-N -1 3 389.139 3.205 20 0 GGADHM CC[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000132985709 564759148 /nfs/dbraw/zinc/75/91/48/564759148.db2.gz RXFORLOZIDMQPP-LBPRGKRZSA-N -1 3 384.548 3.160 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2ccc(Br)cc2Cl)c(=O)[n-]1 ZINC000066287315 564760846 /nfs/dbraw/zinc/76/08/46/564760846.db2.gz MIUGUXYORTZWFI-UHFFFAOYSA-N -1 3 398.688 3.052 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000133063258 564761600 /nfs/dbraw/zinc/76/16/00/564761600.db2.gz KWNQJBQMWWXARC-KRWDZBQOSA-N -1 3 380.535 3.320 20 0 GGADHM CSc1ccsc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000133097031 564762684 /nfs/dbraw/zinc/76/26/84/564762684.db2.gz WUUADHVRPSSIQR-UHFFFAOYSA-N -1 3 386.495 3.302 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc(Cl)ccc1F ZINC000133100705 564763176 /nfs/dbraw/zinc/76/31/76/564763176.db2.gz NXZDSHSLHLTKII-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000066337282 564763398 /nfs/dbraw/zinc/76/33/98/564763398.db2.gz YCWSQKIWBOJJKI-UHFFFAOYSA-N -1 3 395.893 3.365 20 0 GGADHM CN(C)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000133203362 564766855 /nfs/dbraw/zinc/76/68/55/564766855.db2.gz MDPFVHLXDMXBGZ-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM Cc1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1Cl ZINC000133303207 564769438 /nfs/dbraw/zinc/76/94/38/564769438.db2.gz HAUYVWSAQTUOAK-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCC(C)(C)C)cc1F ZINC000133397152 564773035 /nfs/dbraw/zinc/77/30/35/564773035.db2.gz FTEPKPFBGRIHCI-UHFFFAOYSA-N -1 3 394.534 3.080 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000133484117 564774961 /nfs/dbraw/zinc/77/49/61/564774961.db2.gz UJRAZPDDUQBRES-UHFFFAOYSA-N -1 3 380.626 3.020 20 0 GGADHM C[C@@]1(c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000133523537 564776733 /nfs/dbraw/zinc/77/67/33/564776733.db2.gz WYALVGGLCJXWTL-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C[C@@H]2CCCCO2)c(F)cc1F ZINC000133553442 564777450 /nfs/dbraw/zinc/77/74/50/564777450.db2.gz ZBHUYWAYTWTLIE-NSHDSACASA-N -1 3 376.425 3.014 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(N(C)C)c1 ZINC000133539886 564777794 /nfs/dbraw/zinc/77/77/94/564777794.db2.gz NFELGCWWJGXWIF-UHFFFAOYSA-N -1 3 399.310 3.002 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)[C@@H]1CCOC1 ZINC000066913255 564778750 /nfs/dbraw/zinc/77/87/50/564778750.db2.gz VXSWXUISWUHDHL-GFCCVEGCSA-N -1 3 380.853 3.116 20 0 GGADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1)C(=O)C2 ZINC000133672656 564782380 /nfs/dbraw/zinc/78/23/80/564782380.db2.gz OKKKOTKLEWFNMW-BONVTDFDSA-N -1 3 376.400 3.238 20 0 GGADHM CCN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000133737048 564784207 /nfs/dbraw/zinc/78/42/07/564784207.db2.gz NVVCNLDNMCSJLR-UHFFFAOYSA-N -1 3 393.962 3.044 20 0 GGADHM O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000067139112 564784687 /nfs/dbraw/zinc/78/46/87/564784687.db2.gz GKNUIPORHQBONV-UHFFFAOYSA-N -1 3 389.260 3.006 20 0 GGADHM CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000067270552 564788071 /nfs/dbraw/zinc/78/80/71/564788071.db2.gz KWGIIJQYWMVRAB-UHFFFAOYSA-N -1 3 385.848 3.169 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)s1 ZINC000067433104 564792542 /nfs/dbraw/zinc/79/25/42/564792542.db2.gz ZGLWLGGVSNELBS-LLVKDONJSA-N -1 3 386.926 3.120 20 0 GGADHM CSc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000134128113 564794445 /nfs/dbraw/zinc/79/44/45/564794445.db2.gz CECPBNFGXSXJGO-UHFFFAOYSA-N -1 3 376.912 3.040 20 0 GGADHM O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2[N-]C(=O)CCC2=O)cc1 ZINC000067778123 564798682 /nfs/dbraw/zinc/79/86/82/564798682.db2.gz FGTGLSSXSCTYGP-UHFFFAOYSA-N -1 3 378.215 3.404 20 0 GGADHM CCCCC1CCC([N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000067879491 564801159 /nfs/dbraw/zinc/80/11/59/564801159.db2.gz DUFFGGKIHMXEMT-UHFFFAOYSA-N -1 3 386.583 3.454 20 0 GGADHM CCCn1c(C)nnc1SCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1 ZINC000134517474 564805334 /nfs/dbraw/zinc/80/53/34/564805334.db2.gz FJQONSBKXAOEMS-UHFFFAOYSA-N -1 3 377.495 3.098 20 0 GGADHM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccn1 ZINC000134522105 564806439 /nfs/dbraw/zinc/80/64/39/564806439.db2.gz BAZOFPCIXWPMJA-UHFFFAOYSA-N -1 3 381.885 3.088 20 0 GGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000068038740 564806694 /nfs/dbraw/zinc/80/66/94/564806694.db2.gz IROWRXUPRBGCBK-UHFFFAOYSA-N -1 3 379.913 3.201 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000068076889 564807793 /nfs/dbraw/zinc/80/77/93/564807793.db2.gz ISHYKGLMXZWDDP-UHFFFAOYSA-N -1 3 375.837 3.357 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c1 ZINC000134615641 564809176 /nfs/dbraw/zinc/80/91/76/564809176.db2.gz MCRDWBMEEUSKIG-GFCCVEGCSA-N -1 3 386.882 3.304 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c1 ZINC000134615617 564809199 /nfs/dbraw/zinc/80/91/99/564809199.db2.gz MCRDWBMEEUSKIG-LBPRGKRZSA-N -1 3 386.882 3.304 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cc(Br)ccc1F ZINC000134643793 564810320 /nfs/dbraw/zinc/81/03/20/564810320.db2.gz YLGGZWRFLZBMBZ-GFCCVEGCSA-N -1 3 392.290 3.358 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1Br ZINC000134651968 564811158 /nfs/dbraw/zinc/81/11/58/564811158.db2.gz DLXJCANVWOZPEW-GFCCVEGCSA-N -1 3 392.290 3.358 20 0 GGADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(OC(F)F)c(Cl)c1 ZINC000134668858 564811620 /nfs/dbraw/zinc/81/16/20/564811620.db2.gz YCECABFCVZWNLT-UHFFFAOYSA-N -1 3 381.759 3.374 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Cl)cn2)c(F)cc1F ZINC000134766558 564814739 /nfs/dbraw/zinc/81/47/39/564814739.db2.gz BBGCCLYQFYWOJR-UHFFFAOYSA-N -1 3 389.811 3.417 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000068383633 564816599 /nfs/dbraw/zinc/81/65/99/564816599.db2.gz APVHWXXWAJCKJK-SWLSCSKDSA-N -1 3 398.937 3.432 20 0 GGADHM CC[C@@H]1CCc2nc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000068385484 564816952 /nfs/dbraw/zinc/81/69/52/564816952.db2.gz FDOWMOJGOSUMMB-GHMZBOCLSA-N -1 3 399.563 3.025 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068382785 564817123 /nfs/dbraw/zinc/81/71/23/564817123.db2.gz SOWGDUIURJWWMA-DGCLKSJQSA-N -1 3 384.548 3.012 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000135048550 564821868 /nfs/dbraw/zinc/82/18/68/564821868.db2.gz MUJFUCJBVBSUSH-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM Cc1ccc(-c2nc(C(=O)[N-]c3sccc3S(C)(=O)=O)cs2)n1C ZINC000135115217 564824227 /nfs/dbraw/zinc/82/42/27/564824227.db2.gz NTITVTBGSRJUOU-UHFFFAOYSA-N -1 3 381.504 3.174 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(F)c1 ZINC000068882990 564828394 /nfs/dbraw/zinc/82/83/94/564828394.db2.gz WSXNFQDKMBHMAA-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000068882718 564828679 /nfs/dbraw/zinc/82/86/79/564828679.db2.gz NMAUSDLTQXJDQJ-UHFFFAOYSA-N -1 3 393.336 3.309 20 0 GGADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3ccc(F)cc3Br)cn21 ZINC000068944117 564830250 /nfs/dbraw/zinc/83/02/50/564830250.db2.gz CVYHWDAFGVGVBK-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM COc1ccccc1OCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000069078984 564832521 /nfs/dbraw/zinc/83/25/21/564832521.db2.gz NBRADGIZJMDFNA-UHFFFAOYSA-N -1 3 376.261 3.359 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)s1 ZINC000069093659 564832553 /nfs/dbraw/zinc/83/25/53/564832553.db2.gz NVCAAEFKZBEAAT-CQSZACIVSA-N -1 3 380.535 3.349 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCC(F)(F)CC1 ZINC000135582404 564835403 /nfs/dbraw/zinc/83/54/03/564835403.db2.gz RFNPDBNNXCHEHR-UHFFFAOYSA-N -1 3 376.400 3.030 20 0 GGADHM CC1CC([N-]S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000135577535 564835673 /nfs/dbraw/zinc/83/56/73/564835673.db2.gz MLWPOXSEFPTTTE-UHFFFAOYSA-N -1 3 383.105 3.288 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000069261347 564835973 /nfs/dbraw/zinc/83/59/73/564835973.db2.gz XNLANJNJGLEBJN-UHFFFAOYSA-N -1 3 377.238 3.244 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)s1 ZINC000069363935 564839168 /nfs/dbraw/zinc/83/91/68/564839168.db2.gz FCJVGXINZFLECL-UKRRQHHQSA-N -1 3 387.571 3.060 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2Cl)c1 ZINC000135969906 564842919 /nfs/dbraw/zinc/84/29/19/564842919.db2.gz RXOJSBOVVBPFCG-UHFFFAOYSA-N -1 3 380.853 3.093 20 0 GGADHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000136133934 564846043 /nfs/dbraw/zinc/84/60/43/564846043.db2.gz JBLHZDUVHCLCLR-GFCCVEGCSA-N -1 3 381.881 3.211 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2sccc2Br)c(OC)c1 ZINC000070141534 564849216 /nfs/dbraw/zinc/84/92/16/564849216.db2.gz MMPMUMQDKXIBGE-UHFFFAOYSA-N -1 3 392.296 3.006 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CC=CCC1 ZINC000070853347 564852258 /nfs/dbraw/zinc/85/22/58/564852258.db2.gz GUHRQSJDGOIPOD-LBPRGKRZSA-N -1 3 391.320 3.134 20 0 GGADHM CSCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000136758144 564854571 /nfs/dbraw/zinc/85/45/71/564854571.db2.gz BCEACVLFLSIKRD-UHFFFAOYSA-N -1 3 382.482 3.109 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000136784348 564855563 /nfs/dbraw/zinc/85/55/63/564855563.db2.gz WDOWGTCGJBJLFM-UWVGGRQHSA-N -1 3 390.889 3.085 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000136791260 564855888 /nfs/dbraw/zinc/85/58/88/564855888.db2.gz ZJIBWKFJDORIOA-VIFPVBQESA-N -1 3 388.823 3.481 20 0 GGADHM O=C(Nc1ccccc1[O-])[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000071858569 564857784 /nfs/dbraw/zinc/85/77/84/564857784.db2.gz RYPLBBYQHRCIDG-LLVKDONJSA-N -1 3 375.222 3.146 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)cc1 ZINC000137187524 564859282 /nfs/dbraw/zinc/85/92/82/564859282.db2.gz YXZOAKRQANIKSO-UHFFFAOYSA-N -1 3 386.470 3.085 20 0 GGADHM CCOC(=O)C1CCC(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000137583847 564863014 /nfs/dbraw/zinc/86/30/14/564863014.db2.gz DPGLHJXHCHOUIH-UHFFFAOYSA-N -1 3 399.285 3.076 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccccc2Br)cc1OC ZINC000078612958 564864023 /nfs/dbraw/zinc/86/40/23/564864023.db2.gz NWXDTCURLBITQA-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000138210789 564864801 /nfs/dbraw/zinc/86/48/01/564864801.db2.gz DRZKBBJYQZZSAI-GHMZBOCLSA-N -1 3 379.309 3.061 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CSCCS1)c1cc(C(F)(F)F)ccc1Cl ZINC000079060848 564867011 /nfs/dbraw/zinc/86/70/11/564867011.db2.gz RJKJNSFLIMXDJC-SECBINFHSA-N -1 3 391.889 3.486 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c(Br)c1 ZINC000089611856 564870553 /nfs/dbraw/zinc/87/05/53/564870553.db2.gz NLQNDTPWOWWTJT-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM CC(C)COc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000142027477 564874260 /nfs/dbraw/zinc/87/42/60/564874260.db2.gz DOTSBRXWVBJLRL-ZDUSSCGKSA-N -1 3 382.507 3.088 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccncc1 ZINC000092264122 564876037 /nfs/dbraw/zinc/87/60/37/564876037.db2.gz XIJHDPFBBPDFQJ-UHFFFAOYSA-N -1 3 375.313 3.162 20 0 GGADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092263125 564876017 /nfs/dbraw/zinc/87/60/17/564876017.db2.gz YJSLZASMRXFSFW-ZDUSSCGKSA-N -1 3 379.379 3.148 20 0 GGADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092263128 564876223 /nfs/dbraw/zinc/87/62/23/564876223.db2.gz YJSLZASMRXFSFW-CYBMUJFWSA-N -1 3 379.379 3.148 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000147836851 564883845 /nfs/dbraw/zinc/88/38/45/564883845.db2.gz PYIZTGFHRBNLAF-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)sc1Br ZINC000149678523 564885890 /nfs/dbraw/zinc/88/58/90/564885890.db2.gz CRWLYXSSMVGSBJ-UHFFFAOYSA-N -1 3 390.280 3.026 20 0 GGADHM [O-]c1ccc(Br)c(CN2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000093416594 564886933 /nfs/dbraw/zinc/88/69/33/564886933.db2.gz RNYKYRZMDXQRKU-UHFFFAOYSA-N -1 3 385.199 3.173 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)sc1Br ZINC000149993914 564887233 /nfs/dbraw/zinc/88/72/33/564887233.db2.gz HWCLDICRRKYEFS-LLVKDONJSA-N -1 3 388.308 3.101 20 0 GGADHM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)cc1 ZINC000150740258 564889472 /nfs/dbraw/zinc/88/94/72/564889472.db2.gz DPMWJUGMHHPFHP-UHFFFAOYSA-N -1 3 389.658 3.002 20 0 GGADHM CCCCN([C@H](C)CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000093907917 564892969 /nfs/dbraw/zinc/89/29/69/564892969.db2.gz JVOMKQQXBUFGHV-CYBMUJFWSA-N -1 3 394.534 3.177 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)CC)cc1F ZINC000093921549 564893946 /nfs/dbraw/zinc/89/39/46/564893946.db2.gz RAMCGZLILLXLIG-OLZOCXBDSA-N -1 3 394.534 3.080 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCC(C)(C)C)cc1F ZINC000093916957 564894010 /nfs/dbraw/zinc/89/40/10/564894010.db2.gz UJCDEKICPULGIL-LBPRGKRZSA-N -1 3 394.534 3.080 20 0 GGADHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000095463059 564898599 /nfs/dbraw/zinc/89/85/99/564898599.db2.gz UWSTVFRTPXUVEG-CYBMUJFWSA-N -1 3 385.835 3.434 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1c(Cl)cccc1Cl ZINC000096383987 564901328 /nfs/dbraw/zinc/90/13/28/564901328.db2.gz FCIYFICKAZCTBO-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM CC(C)c1ncc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000151105809 564905467 /nfs/dbraw/zinc/90/54/67/564905467.db2.gz YWNBLPLOIBKWLP-UHFFFAOYSA-N -1 3 383.470 3.099 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000151125859 564906106 /nfs/dbraw/zinc/90/61/06/564906106.db2.gz YZIAVGSWGSXNEK-HNNXBMFYSA-N -1 3 379.243 3.163 20 0 GGADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1ccc(Br)s1 ZINC000097444506 564907055 /nfs/dbraw/zinc/90/70/55/564907055.db2.gz IEMHMWYOEJYCPG-UHFFFAOYSA-N -1 3 398.307 3.175 20 0 GGADHM Cc1cccc2sc([N-]C(=O)c3nc4ncc(Br)cn4n3)nc21 ZINC000097372117 564907169 /nfs/dbraw/zinc/90/71/69/564907169.db2.gz HMEAGKVHPUJQJK-UHFFFAOYSA-N -1 3 389.238 3.057 20 0 GGADHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1cc(C(F)(F)F)ccc1Cl ZINC000097271887 564907604 /nfs/dbraw/zinc/90/76/04/564907604.db2.gz ODVGGCSQMKMFNG-DZGCQCFKSA-N -1 3 391.798 3.295 20 0 GGADHM COc1ccc(Cl)cc1CC(=O)Nc1nc(-c2ccccc2Cl)n[n-]1 ZINC000097334982 564907691 /nfs/dbraw/zinc/90/76/91/564907691.db2.gz VRMUJFHZGKIBOL-UHFFFAOYSA-N -1 3 377.231 3.390 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000151159668 564908471 /nfs/dbraw/zinc/90/84/71/564908471.db2.gz VLQKBTUHHXVUEH-UHFFFAOYSA-N -1 3 385.486 3.082 20 0 GGADHM CCN(CC)c1nc2sc(C(=O)[N-]c3ncc(C(N)=O)s3)cc2s1 ZINC000098101871 564912095 /nfs/dbraw/zinc/91/20/95/564912095.db2.gz TZIQMIMPQAGGGT-UHFFFAOYSA-N -1 3 381.508 3.012 20 0 GGADHM Cc1cscc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000151278860 564912289 /nfs/dbraw/zinc/91/22/89/564912289.db2.gz COMBQFYERRHLJC-UHFFFAOYSA-N -1 3 388.561 3.108 20 0 GGADHM Cc1ccc([C@H]2CCCCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)o1 ZINC000151328024 564915126 /nfs/dbraw/zinc/91/51/26/564915126.db2.gz MQMOQSSWYOYJIM-CQSZACIVSA-N -1 3 382.507 3.072 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000151480005 564922446 /nfs/dbraw/zinc/92/24/46/564922446.db2.gz AVKUMHNNJNLUAC-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1CCCCCC1 ZINC000101852498 564922939 /nfs/dbraw/zinc/92/29/39/564922939.db2.gz UFZHODMOHLNFTJ-UHFFFAOYSA-N -1 3 378.416 3.436 20 0 GGADHM COc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000151528208 564924257 /nfs/dbraw/zinc/92/42/57/564924257.db2.gz XQLTUYRTJZDQNZ-UHFFFAOYSA-N -1 3 380.238 3.031 20 0 GGADHM COc1ccc2c(c1)C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)CO2 ZINC000151518344 564924355 /nfs/dbraw/zinc/92/43/55/564924355.db2.gz VUSLWFDZEVPYML-ZDUSSCGKSA-N -1 3 392.249 3.031 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)s1 ZINC000151524458 564924460 /nfs/dbraw/zinc/92/44/60/564924460.db2.gz PDHOEIFLMLYQIW-UHFFFAOYSA-N -1 3 398.937 3.048 20 0 GGADHM O=C(CSCC(=O)c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151523561 564924509 /nfs/dbraw/zinc/92/45/09/564924509.db2.gz ARAKAPQOFITKGK-UHFFFAOYSA-N -1 3 394.290 3.387 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(N2CCCC2=O)c1 ZINC000151531040 564925348 /nfs/dbraw/zinc/92/53/48/564925348.db2.gz JYOKTRQXAWVYSC-UHFFFAOYSA-N -1 3 389.249 3.212 20 0 GGADHM CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151544591 564925497 /nfs/dbraw/zinc/92/54/97/564925497.db2.gz DKYHBPGDCRWTLR-LBPRGKRZSA-N -1 3 392.249 3.441 20 0 GGADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151557558 564926081 /nfs/dbraw/zinc/92/60/81/564926081.db2.gz TWVRAMLXAWSBLD-JSGCOSHPSA-N -1 3 397.313 3.056 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cncc(Br)c1 ZINC000151551180 564926092 /nfs/dbraw/zinc/92/60/92/564926092.db2.gz AWFHBFOILVNCCT-UHFFFAOYSA-N -1 3 386.043 3.242 20 0 GGADHM COc1cc(C)ccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151550062 564926119 /nfs/dbraw/zinc/92/61/19/564926119.db2.gz ICRXEYSQTKWBBF-UHFFFAOYSA-N -1 3 380.238 3.167 20 0 GGADHM CC(C)C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)N1CCCCC1=O ZINC000151562468 564926216 /nfs/dbraw/zinc/92/62/16/564926216.db2.gz INXSRGUZVIEREF-HNNXBMFYSA-N -1 3 397.313 3.198 20 0 GGADHM C[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)C1CCCCC1 ZINC000151557278 564926226 /nfs/dbraw/zinc/92/62/26/564926226.db2.gz PXBOHUSCFZZOII-GFCCVEGCSA-N -1 3 397.313 3.246 20 0 GGADHM CCNc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)cs1 ZINC000532020457 564926815 /nfs/dbraw/zinc/92/68/15/564926815.db2.gz CBIRONBGKIBVRT-UHFFFAOYSA-N -1 3 393.270 3.375 20 0 GGADHM Cc1nn(C)c2sc(C(=O)NCc3ccc([O-])c(Br)c3)cc12 ZINC000151568764 564927485 /nfs/dbraw/zinc/92/74/85/564927485.db2.gz WQXOZKYPGPUWKV-UHFFFAOYSA-N -1 3 380.267 3.341 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)cs1 ZINC000102413187 564929281 /nfs/dbraw/zinc/92/92/81/564929281.db2.gz JKCTVIIIIKHZLA-UHFFFAOYSA-N -1 3 393.303 3.128 20 0 GGADHM COc1ncccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000151596889 564929448 /nfs/dbraw/zinc/92/94/48/564929448.db2.gz YAHLRFAJGZFYAS-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000102412000 564929399 /nfs/dbraw/zinc/92/93/99/564929399.db2.gz WQTLNHLEMVYFKW-AWEZNQCLSA-N -1 3 383.901 3.058 20 0 GGADHM COc1ccc2c(c1)C=C(C(=O)NCc1ccc([O-])c(Br)c1)CO2 ZINC000151642885 564930937 /nfs/dbraw/zinc/93/09/37/564930937.db2.gz OBEMDHZUVCVGTP-UHFFFAOYSA-N -1 3 390.233 3.256 20 0 GGADHM O=C(CCc1nc(-c2ccco2)no1)NCc1ccc([O-])c(Br)c1 ZINC000151642402 564931102 /nfs/dbraw/zinc/93/11/02/564931102.db2.gz GPKPMIYZAZAITR-UHFFFAOYSA-N -1 3 392.209 3.047 20 0 GGADHM CN(CC1CCC1)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151662199 564931785 /nfs/dbraw/zinc/93/17/85/564931785.db2.gz ICKKADJSGCSHBR-UHFFFAOYSA-N -1 3 396.228 3.005 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(C)c2ccccc2)s1 ZINC000102777448 564935985 /nfs/dbraw/zinc/93/59/85/564935985.db2.gz AXVAEUUUZUMVAO-CYBMUJFWSA-N -1 3 380.535 3.029 20 0 GGADHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@H]1O)c1ccc(C(F)(F)F)cc1Cl ZINC000151931755 564941964 /nfs/dbraw/zinc/94/19/64/564941964.db2.gz NOLFJNUVYTZFOR-UKRRQHHQSA-N -1 3 391.798 3.295 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Br)cc2)C1)c1cccs1 ZINC000103161456 564943668 /nfs/dbraw/zinc/94/36/68/564943668.db2.gz RPMPMXNBVQNUHT-LBPRGKRZSA-N -1 3 387.324 3.068 20 0 GGADHM C[C@H](SCCCS(C)(=O)=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000103166208 564944581 /nfs/dbraw/zinc/94/45/81/564944581.db2.gz DVLWJXOJHZTZEL-JTQLQIEISA-N -1 3 398.531 3.474 20 0 GGADHM C[C@H]1CCC[C@@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000152223741 564951706 /nfs/dbraw/zinc/95/17/06/564951706.db2.gz LZMXWTHPFSQVCY-AAEUAGOBSA-N -1 3 384.548 3.207 20 0 GGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000152223668 564952121 /nfs/dbraw/zinc/95/21/21/564952121.db2.gz LZMXWTHPFSQVCY-YPMHNXCESA-N -1 3 384.548 3.207 20 0 GGADHM O=S(=O)(Cc1ccon1)[N-]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000152249514 564952139 /nfs/dbraw/zinc/95/21/39/564952139.db2.gz CVPFVGRFVJAGEL-UHFFFAOYSA-N -1 3 387.191 3.202 20 0 GGADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000152315290 564954635 /nfs/dbraw/zinc/95/46/35/564954635.db2.gz RNNMGFZOWDUTRU-UHFFFAOYSA-N -1 3 383.825 3.490 20 0 GGADHM COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(OC)c1 ZINC000152325828 564955157 /nfs/dbraw/zinc/95/51/57/564955157.db2.gz ZQHAOFNDHBCZAZ-UHFFFAOYSA-N -1 3 381.226 3.494 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)ccc1=O ZINC000152317850 564955586 /nfs/dbraw/zinc/95/55/86/564955586.db2.gz CRSYCNIRQUZTPM-UHFFFAOYSA-N -1 3 381.504 3.162 20 0 GGADHM O=S(=O)([N-]CCCO[C@H]1CCOC1)c1cc2cc(Cl)ccc2s1 ZINC000152351541 564955994 /nfs/dbraw/zinc/95/59/94/564955994.db2.gz LSPSIKQOMVKQCP-ZDUSSCGKSA-N -1 3 375.899 3.029 20 0 GGADHM CCC(CC)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000104552637 564956531 /nfs/dbraw/zinc/95/65/31/564956531.db2.gz HLSRJCHJQMUILO-UHFFFAOYSA-N -1 3 386.564 3.454 20 0 GGADHM CCCCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000104634238 564957409 /nfs/dbraw/zinc/95/74/09/564957409.db2.gz AJDWOSWKHHRXIV-JTQLQIEISA-N -1 3 382.404 3.221 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)s2)cc1Cl ZINC000104736093 564958192 /nfs/dbraw/zinc/95/81/92/564958192.db2.gz XLLNEIYWZCQRCF-UHFFFAOYSA-N -1 3 376.862 3.286 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(F)ccc1Br ZINC000105357737 564965225 /nfs/dbraw/zinc/96/52/25/564965225.db2.gz NJVGXOAOZGJNJW-UHFFFAOYSA-N -1 3 387.230 3.059 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000105389691 564966364 /nfs/dbraw/zinc/96/63/64/564966364.db2.gz GDGGGLHVBASWTP-UHFFFAOYSA-N -1 3 375.368 3.320 20 0 GGADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000152728056 564969754 /nfs/dbraw/zinc/96/97/54/564969754.db2.gz RUSZFFPAMPXWMO-AWEZNQCLSA-N -1 3 383.539 3.179 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2sc(C)nc2CC(C)C)s1 ZINC000152717090 564969858 /nfs/dbraw/zinc/96/98/58/564969858.db2.gz VSGRLQDYPYOPJO-UHFFFAOYSA-N -1 3 382.511 3.250 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2csc(C)n2)cc1Cl ZINC000105616866 564969833 /nfs/dbraw/zinc/96/98/33/564969833.db2.gz AZXIXCISGIOISU-UHFFFAOYSA-N -1 3 381.306 3.288 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)on1 ZINC000105723439 564973093 /nfs/dbraw/zinc/97/30/93/564973093.db2.gz RUYFTUJDPATOCY-QMMMGPOBSA-N -1 3 396.774 3.456 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1C(F)(F)F ZINC000152972511 564979517 /nfs/dbraw/zinc/97/95/17/564979517.db2.gz NSARWISODOLRDU-FZMZJTMJSA-N -1 3 381.441 3.038 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(Cl)c1Cl ZINC000152983751 564979964 /nfs/dbraw/zinc/97/99/64/564979964.db2.gz BGIUYGOEZGMUGS-HZMBPMFUSA-N -1 3 382.334 3.326 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1C(F)(F)F ZINC000152972174 564979968 /nfs/dbraw/zinc/97/99/68/564979968.db2.gz NSARWISODOLRDU-BXUZGUMPSA-N -1 3 381.441 3.038 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000152995215 564980862 /nfs/dbraw/zinc/98/08/62/564980862.db2.gz WOCLRZUNPNCBSG-SMDDNHRTSA-N -1 3 399.431 3.178 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1c(Cl)cccc1Cl ZINC000152985885 564980923 /nfs/dbraw/zinc/98/09/23/564980923.db2.gz ZEUIQQALJOORMK-IINYFYTJSA-N -1 3 382.334 3.326 20 0 GGADHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000106356620 564981958 /nfs/dbraw/zinc/98/19/58/564981958.db2.gz PZGCGGDYAUZPRZ-LLVKDONJSA-N -1 3 387.299 3.041 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000153047465 564982579 /nfs/dbraw/zinc/98/25/79/564982579.db2.gz JELMYNQLQARGQE-LLVKDONJSA-N -1 3 386.823 3.261 20 0 GGADHM CCc1n[n-]c(S(=O)(=O)Cc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000153151035 564985833 /nfs/dbraw/zinc/98/58/33/564985833.db2.gz GBJIVJXDJZUALW-UHFFFAOYSA-N -1 3 398.897 3.030 20 0 GGADHM CCc1nnc(S(=O)(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[n-]1 ZINC000153151035 564985835 /nfs/dbraw/zinc/98/58/35/564985835.db2.gz GBJIVJXDJZUALW-UHFFFAOYSA-N -1 3 398.897 3.030 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(C2CCCC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000106891208 564990615 /nfs/dbraw/zinc/99/06/15/564990615.db2.gz UMTUTLSRICFFBC-LBPRGKRZSA-N -1 3 380.407 3.140 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)cs1 ZINC000106893143 564990773 /nfs/dbraw/zinc/99/07/73/564990773.db2.gz AYSRBHZEFKWGPQ-LLVKDONJSA-N -1 3 382.507 3.251 20 0 GGADHM CCCCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000153389585 564992845 /nfs/dbraw/zinc/99/28/45/564992845.db2.gz HLRQCNMTOJVNQA-UHFFFAOYSA-N -1 3 384.217 3.053 20 0 GGADHM Cc1nnc([N-]C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)s1 ZINC000107102385 564995048 /nfs/dbraw/zinc/99/50/48/564995048.db2.gz HLEOXOIRQLISID-UHFFFAOYSA-N -1 3 388.762 3.352 20 0 GGADHM Cc1cnccc1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000107286551 564996950 /nfs/dbraw/zinc/99/69/50/564996950.db2.gz FORDNWVHIJEXMP-UHFFFAOYSA-N -1 3 393.515 3.244 20 0 GGADHM O=c1[n-]c(CN2CCN(c3ccc(F)cc3Cl)CC2)nc2ccsc21 ZINC000153483219 564996955 /nfs/dbraw/zinc/99/69/55/564996955.db2.gz YIAWPYBTQMHFBR-UHFFFAOYSA-N -1 3 378.860 3.099 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000107309742 564998352 /nfs/dbraw/zinc/99/83/52/564998352.db2.gz JUYAVXUINPQOJN-UHFFFAOYSA-N -1 3 382.791 3.485 20 0 GGADHM O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(Cl)cc1[O-] ZINC000153541753 564999786 /nfs/dbraw/zinc/99/97/86/564999786.db2.gz FFDJUQCITDAPAG-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)nc12 ZINC000107598238 565000364 /nfs/dbraw/zinc/00/03/64/565000364.db2.gz XQWPXDODFGGRFE-UHFFFAOYSA-N -1 3 384.288 3.471 20 0 GGADHM O=C(Nc1ccc(Cl)cc1[O-])c1sccc1S(=O)(=O)N1CCCC1 ZINC000153649625 565004698 /nfs/dbraw/zinc/00/46/98/565004698.db2.gz IAQYDOPPGKSYBM-UHFFFAOYSA-N -1 3 386.882 3.144 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153690218 565006157 /nfs/dbraw/zinc/00/61/57/565006157.db2.gz NNHUVTZBDMSJFW-UHFFFAOYSA-N -1 3 382.869 3.328 20 0 GGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153692065 565006539 /nfs/dbraw/zinc/00/65/39/565006539.db2.gz GUULAYXXZNQACU-ZJUUUORDSA-N -1 3 380.304 3.179 20 0 GGADHM C[C@H](NC(=O)c1ccccc1[O-])c1cc2c(cc1Br)OCCO2 ZINC000108230299 565008655 /nfs/dbraw/zinc/00/86/55/565008655.db2.gz CIANSKLENTXKBC-JTQLQIEISA-N -1 3 378.222 3.417 20 0 GGADHM C[C@@H](c1ccccc1F)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153742634 565008787 /nfs/dbraw/zinc/00/87/87/565008787.db2.gz OYHQNCQVNYWXRI-JTQLQIEISA-N -1 3 390.889 3.039 20 0 GGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153756620 565009791 /nfs/dbraw/zinc/00/97/91/565009791.db2.gz VILUSNHGWXLNLU-JTQLQIEISA-N -1 3 380.304 3.323 20 0 GGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153756515 565009873 /nfs/dbraw/zinc/00/98/73/565009873.db2.gz VILUSNHGWXLNLU-SNVBAGLBSA-N -1 3 380.304 3.323 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000153771004 565010587 /nfs/dbraw/zinc/01/05/87/565010587.db2.gz POWDZFRNSYCKKK-ZETCQYMHSA-N -1 3 399.346 3.272 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000108404755 565011062 /nfs/dbraw/zinc/01/10/62/565011062.db2.gz FOJWFMPJCQQXKU-UHFFFAOYSA-N -1 3 382.404 3.439 20 0 GGADHM CCCCN(CC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000153777951 565011037 /nfs/dbraw/zinc/01/10/37/565011037.db2.gz UODUNXLTXAXYGT-UHFFFAOYSA-N -1 3 398.244 3.395 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000108404563 565011144 /nfs/dbraw/zinc/01/11/44/565011144.db2.gz UMQVFASNRIFDRT-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM COC(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000153776574 565011156 /nfs/dbraw/zinc/01/11/56/565011156.db2.gz XYGIQCJYCQEHDB-UHFFFAOYSA-N -1 3 379.210 3.263 20 0 GGADHM O=C(CCCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1[O-] ZINC000108447021 565011762 /nfs/dbraw/zinc/01/17/62/565011762.db2.gz WOVYJOWMMQJODS-UHFFFAOYSA-N -1 3 398.278 3.347 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000108638559 565014862 /nfs/dbraw/zinc/01/48/62/565014862.db2.gz BAFSZYQWMROIPH-UHFFFAOYSA-N -1 3 375.837 3.261 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000108766608 565017282 /nfs/dbraw/zinc/01/72/82/565017282.db2.gz LLBOZRPHBJIBSP-NSHDSACASA-N -1 3 393.515 3.177 20 0 GGADHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000153922473 565017672 /nfs/dbraw/zinc/01/76/72/565017672.db2.gz DKLRGVGINVIWPG-VIFPVBQESA-N -1 3 378.928 3.009 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cnc(C(C)(C)C)s2)s1 ZINC000108986975 565019810 /nfs/dbraw/zinc/01/98/10/565019810.db2.gz GTUUMJSUJZJKIH-UHFFFAOYSA-N -1 3 386.524 3.200 20 0 GGADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000153970897 565020563 /nfs/dbraw/zinc/02/05/63/565020563.db2.gz ISWIUOSVJDVZLY-UHFFFAOYSA-N -1 3 380.510 3.484 20 0 GGADHM C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(O)cc1[O-] ZINC000154240301 565031232 /nfs/dbraw/zinc/03/12/32/565031232.db2.gz PTGLZCOTPQWMKD-DIFFPNOSSA-N -1 3 392.249 3.463 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000154285710 565032870 /nfs/dbraw/zinc/03/28/70/565032870.db2.gz ZLZUJHIHDQUSAS-UHFFFAOYSA-N -1 3 382.507 3.054 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1Cl ZINC000110122268 565036262 /nfs/dbraw/zinc/03/62/62/565036262.db2.gz LVTGZZXUZWQJOX-UHFFFAOYSA-N -1 3 381.816 3.474 20 0 GGADHM COCCS(=O)(=O)[N-]c1ccc(Oc2cccc(Br)c2)nc1 ZINC000154391900 565037112 /nfs/dbraw/zinc/03/71/12/565037112.db2.gz OLOMLYAFIOOODW-UHFFFAOYSA-N -1 3 387.255 3.025 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)C1=Cc2cc(F)ccc2OC1 ZINC000154402207 565037463 /nfs/dbraw/zinc/03/74/63/565037463.db2.gz PFWISLXTECHBOR-UHFFFAOYSA-N -1 3 378.197 3.386 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)c(F)c1 ZINC000154410617 565037732 /nfs/dbraw/zinc/03/77/32/565037732.db2.gz PWMADWGDVWTQHD-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000154416800 565038667 /nfs/dbraw/zinc/03/86/67/565038667.db2.gz NBWBADDKHYUPCG-MRXNPFEDSA-N -1 3 386.905 3.038 20 0 GGADHM Cc1nccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)n1 ZINC000110415915 565040557 /nfs/dbraw/zinc/04/05/57/565040557.db2.gz QXSQIQJJUSGSFN-UHFFFAOYSA-N -1 3 376.239 3.318 20 0 GGADHM CN(C)C(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000154497473 565041679 /nfs/dbraw/zinc/04/16/79/565041679.db2.gz WDQLRNDJPVXMPX-UHFFFAOYSA-N -1 3 392.253 3.178 20 0 GGADHM O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000110591303 565042774 /nfs/dbraw/zinc/04/27/74/565042774.db2.gz VUUGYQLXYSJOSK-UHFFFAOYSA-N -1 3 379.331 3.016 20 0 GGADHM O=C(CN1C(=O)CCc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000110628708 565043202 /nfs/dbraw/zinc/04/32/02/565043202.db2.gz CXMDABBMQNKMJL-UHFFFAOYSA-N -1 3 375.222 3.073 20 0 GGADHM C[C@@H]1CCC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000110711823 565043835 /nfs/dbraw/zinc/04/38/35/565043835.db2.gz WOUOAJSDALHRHF-TXEJJXNPSA-N -1 3 393.336 3.451 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cc(Cl)c[nH]2)c(F)cc1F ZINC000110688387 565044175 /nfs/dbraw/zinc/04/41/75/565044175.db2.gz KQUUMRSQGYLVRT-UHFFFAOYSA-N -1 3 377.800 3.350 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1ncc(-c2ccccc2)o1 ZINC000154598465 565045600 /nfs/dbraw/zinc/04/56/00/565045600.db2.gz ONPADDKBHZFJHZ-JTQLQIEISA-N -1 3 378.841 3.012 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000111158305 565051435 /nfs/dbraw/zinc/05/14/35/565051435.db2.gz SXZARWOGKRUXLK-ZIAGYGMSSA-N -1 3 398.937 3.132 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(c2ccccc2Br)C1)c1cccs1 ZINC000111365346 565053599 /nfs/dbraw/zinc/05/35/99/565053599.db2.gz KMJHKIIFHIQFEZ-NSHDSACASA-N -1 3 387.324 3.068 20 0 GGADHM CS(=O)(=O)C[C@H](NCc1cc([O-])ccc1Br)c1ccccc1 ZINC000154932841 565057286 /nfs/dbraw/zinc/05/72/86/565057286.db2.gz RJGFNXFJFQPQEI-INIZCTEOSA-N -1 3 384.295 3.030 20 0 GGADHM CS(=O)(=O)C[C@@H](NCc1cc([O-])ccc1Br)c1ccccc1 ZINC000154932952 565057308 /nfs/dbraw/zinc/05/73/08/565057308.db2.gz RJGFNXFJFQPQEI-MRXNPFEDSA-N -1 3 384.295 3.030 20 0 GGADHM COc1cc(C(=O)[N-]c2ccc(I)cc2Cl)on1 ZINC000154968371 565058528 /nfs/dbraw/zinc/05/85/28/565058528.db2.gz MMXSKCRDHLCCAB-UHFFFAOYSA-N -1 3 378.553 3.194 20 0 GGADHM O=S(=O)([N-]Cc1nccn1C(F)F)c1ccc(C(F)(F)F)cc1Cl ZINC000154981917 565058914 /nfs/dbraw/zinc/05/89/14/565058914.db2.gz CNWUUABKWLIHSV-UHFFFAOYSA-N -1 3 389.733 3.429 20 0 GGADHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1cccs1 ZINC000155036773 565060122 /nfs/dbraw/zinc/06/01/22/565060122.db2.gz ROVCOCVKAVAZRO-JTQLQIEISA-N -1 3 392.424 3.331 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000112277189 565061778 /nfs/dbraw/zinc/06/17/78/565061778.db2.gz ZDAALINHTPYLFE-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000112277189 565061780 /nfs/dbraw/zinc/06/17/80/565061780.db2.gz ZDAALINHTPYLFE-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000112277189 565061782 /nfs/dbraw/zinc/06/17/82/565061782.db2.gz ZDAALINHTPYLFE-JTQLQIEISA-N -1 3 388.225 3.035 20 0 GGADHM CC(C)CC1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CCC1 ZINC000155134452 565062716 /nfs/dbraw/zinc/06/27/16/565062716.db2.gz NWXIQFZBIDNCFY-UHFFFAOYSA-N -1 3 384.567 3.234 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCc2ccccc2C1 ZINC000112625007 565065000 /nfs/dbraw/zinc/06/50/00/565065000.db2.gz NNSGNCXJAAAQTG-UHFFFAOYSA-N -1 3 383.245 3.489 20 0 GGADHM O=C(NCc1cccc(F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112628750 565065016 /nfs/dbraw/zinc/06/50/16/565065016.db2.gz DVNPUGZNLSUSJQ-UHFFFAOYSA-N -1 3 375.197 3.360 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(Cc1cccnc1)C1CC1 ZINC000112628338 565065031 /nfs/dbraw/zinc/06/50/31/565065031.db2.gz HDIIWKHDHVHRGL-UHFFFAOYSA-N -1 3 398.260 3.490 20 0 GGADHM CCCCOCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112625834 565065041 /nfs/dbraw/zinc/06/50/41/565065041.db2.gz CKVBBYLIVPLFMP-UHFFFAOYSA-N -1 3 381.270 3.227 20 0 GGADHM O=C(NC[C@H]1Cc2ccccc2O1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112629032 565065277 /nfs/dbraw/zinc/06/52/77/565065277.db2.gz AOLDPHWRUHLDAT-CYBMUJFWSA-N -1 3 399.244 3.024 20 0 GGADHM CCCCN(CCOC)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112637977 565065293 /nfs/dbraw/zinc/06/52/93/565065293.db2.gz WLNXTRNRDMYFCV-UHFFFAOYSA-N -1 3 381.270 3.179 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2csc(-c3ccco3)n2)[n-]1 ZINC000155261208 565065471 /nfs/dbraw/zinc/06/54/71/565065471.db2.gz PLSZULVKACAEKG-RUZDIDTESA-N -1 3 389.380 3.366 20 0 GGADHM C[C@H](CC1CC1)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000112690494 565065559 /nfs/dbraw/zinc/06/55/59/565065559.db2.gz HJTULQPGTJPGEG-LLVKDONJSA-N -1 3 384.548 3.207 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2coc(-c3cccs3)n2)[n-]1 ZINC000155279784 565065720 /nfs/dbraw/zinc/06/57/20/565065720.db2.gz IZQYZAKEMLNOAA-VWLOTQADSA-N -1 3 389.380 3.366 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000155295825 565065743 /nfs/dbraw/zinc/06/57/43/565065743.db2.gz CEYJIAKYXUWPST-MRVPVSSYSA-N -1 3 375.281 3.013 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000155295825 565065744 /nfs/dbraw/zinc/06/57/44/565065744.db2.gz CEYJIAKYXUWPST-MRVPVSSYSA-N -1 3 375.281 3.013 20 0 GGADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000155295825 565065745 /nfs/dbraw/zinc/06/57/45/565065745.db2.gz CEYJIAKYXUWPST-MRVPVSSYSA-N -1 3 375.281 3.013 20 0 GGADHM CCO[C@H](C)c1nc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155293258 565065752 /nfs/dbraw/zinc/06/57/52/565065752.db2.gz VDBWTOIDFLXGJU-NRYVIMAVSA-N -1 3 395.428 3.204 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)CCCOc2ccc(F)cc2)[n-]1 ZINC000155322940 565066217 /nfs/dbraw/zinc/06/62/17/565066217.db2.gz OGEFULTUDLKRLS-VWLOTQADSA-N -1 3 378.347 3.058 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)sc2C)sc1C ZINC000155374333 565066684 /nfs/dbraw/zinc/06/66/84/565066684.db2.gz ZFDDMPPGFMJHHB-UHFFFAOYSA-N -1 3 381.342 3.371 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000112863153 565066762 /nfs/dbraw/zinc/06/67/62/565066762.db2.gz YVSNDXRLNISNCT-SNVBAGLBSA-N -1 3 386.832 3.257 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cs1 ZINC000155358762 565066790 /nfs/dbraw/zinc/06/67/90/565066790.db2.gz GJGYGLKOGUZKRB-UHFFFAOYSA-N -1 3 399.847 3.360 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000112863151 565066867 /nfs/dbraw/zinc/06/68/67/565066867.db2.gz YVSNDXRLNISNCT-JTQLQIEISA-N -1 3 386.832 3.257 20 0 GGADHM Cc1cc(C(=O)Nc2nnc(SCCO)[n-]2)sc1-c1ccc(F)cc1 ZINC000155404853 565067239 /nfs/dbraw/zinc/06/72/39/565067239.db2.gz NACWBPAETVSMDC-UHFFFAOYSA-N -1 3 378.454 3.317 20 0 GGADHM Cc1cc(C(=O)Nc2nc(SCCO)n[n-]2)sc1-c1ccc(F)cc1 ZINC000155404853 565067240 /nfs/dbraw/zinc/06/72/40/565067240.db2.gz NACWBPAETVSMDC-UHFFFAOYSA-N -1 3 378.454 3.317 20 0 GGADHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)sc1-c1ccc(F)cc1 ZINC000155404853 565067242 /nfs/dbraw/zinc/06/72/42/565067242.db2.gz NACWBPAETVSMDC-UHFFFAOYSA-N -1 3 378.454 3.317 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(Br)c2)c(=O)[n-]1 ZINC000155464395 565067897 /nfs/dbraw/zinc/06/78/97/565067897.db2.gz UPPZSIWQKLRLPR-UHFFFAOYSA-N -1 3 384.661 3.374 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C2(c3cccs3)CCCCC2)s1 ZINC000155510554 565068550 /nfs/dbraw/zinc/06/85/50/565068550.db2.gz QBZQDLJKQIPSSW-UHFFFAOYSA-N -1 3 398.575 3.236 20 0 GGADHM CS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000155535639 565068610 /nfs/dbraw/zinc/06/86/10/565068610.db2.gz WNTIUYKGJDIZBW-SNVBAGLBSA-N -1 3 386.445 3.456 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)CCCCC1 ZINC000113276041 565068816 /nfs/dbraw/zinc/06/88/16/565068816.db2.gz DQMKTJNQPYBUQS-UHFFFAOYSA-N -1 3 379.400 3.001 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000113286850 565068964 /nfs/dbraw/zinc/06/89/64/565068964.db2.gz ZOURVDWERADYDO-NWDGAFQWSA-N -1 3 393.336 3.202 20 0 GGADHM Cc1noc(-c2cc(S(=O)(=O)[N-]Cc3ccccn3)c(Cl)cc2Cl)n1 ZINC000113743317 565070992 /nfs/dbraw/zinc/07/09/92/565070992.db2.gz IGVVCZVSASQVNI-UHFFFAOYSA-N -1 3 399.259 3.225 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)sc1Br ZINC000155753275 565071360 /nfs/dbraw/zinc/07/13/60/565071360.db2.gz YQSXVHAMNPCHPO-WCQGTBRESA-N -1 3 392.340 3.055 20 0 GGADHM Cc1noc(C)c1[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000113913184 565071539 /nfs/dbraw/zinc/07/15/39/565071539.db2.gz OSXHPOMTHYJBGF-QMMMGPOBSA-N -1 3 390.237 3.386 20 0 GGADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000113946784 565071650 /nfs/dbraw/zinc/07/16/50/565071650.db2.gz MOHKHPDIAAVYSG-SSDOTTSWSA-N -1 3 395.225 3.372 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)s2)cs1 ZINC000155815653 565072039 /nfs/dbraw/zinc/07/20/39/565072039.db2.gz YHGRTBUPVLCJLO-LYRGGWFBSA-N -1 3 396.559 3.416 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCC(C)C)cc1F ZINC000155834454 565072094 /nfs/dbraw/zinc/07/20/94/565072094.db2.gz YXXRHKZGHVAAOX-ZDUSSCGKSA-N -1 3 394.534 3.080 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000114117511 565072551 /nfs/dbraw/zinc/07/25/51/565072551.db2.gz YQPYQMKZQJYDMK-IAQYHMDHSA-N -1 3 381.523 3.021 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000114115585 565072556 /nfs/dbraw/zinc/07/25/56/565072556.db2.gz NWBXPSVPWPXKRE-MEDUHNTESA-N -1 3 381.523 3.021 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000155913758 565072689 /nfs/dbraw/zinc/07/26/89/565072689.db2.gz JLGKVCMVBGZFKW-UHFFFAOYSA-N -1 3 379.768 3.361 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000155952342 565073179 /nfs/dbraw/zinc/07/31/79/565073179.db2.gz DGNSTFZWSPOBDC-UHFFFAOYSA-N -1 3 378.226 3.435 20 0 GGADHM CCCCc1nc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155962483 565073290 /nfs/dbraw/zinc/07/32/90/565073290.db2.gz RCQXUCZYSSHYDJ-UHFFFAOYSA-N -1 3 395.428 3.115 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000156005225 565073698 /nfs/dbraw/zinc/07/36/98/565073698.db2.gz FIPABNAWGDNALI-UHFFFAOYSA-N -1 3 379.301 3.102 20 0 GGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CCc2ccccc2Cl)[n-]1 ZINC000156005573 565073764 /nfs/dbraw/zinc/07/37/64/565073764.db2.gz LKBJQGDSAIJOTK-UHFFFAOYSA-N -1 3 380.775 3.012 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Br)c(Cl)c1 ZINC000156060917 565074551 /nfs/dbraw/zinc/07/45/51/565074551.db2.gz KHXFQXYIBJXFHL-HONMWMINSA-N -1 3 394.718 3.338 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cc2c([nH]c1=O)CCCCC2 ZINC000156070293 565074571 /nfs/dbraw/zinc/07/45/71/565074571.db2.gz BNFSAGLGRVAEDI-UHFFFAOYSA-N -1 3 377.238 3.364 20 0 GGADHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2F)cc1OC ZINC000114496970 565074587 /nfs/dbraw/zinc/07/45/87/565074587.db2.gz JSBWMPVIEUPYLP-VIFPVBQESA-N -1 3 375.368 3.161 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1ccccn1 ZINC000156145120 565075467 /nfs/dbraw/zinc/07/54/67/565075467.db2.gz UCSQGDFQANYPKG-LLVKDONJSA-N -1 3 376.459 3.122 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156178582 565075700 /nfs/dbraw/zinc/07/57/00/565075700.db2.gz DAWACOVYHGTFHK-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nccs1 ZINC000156218890 565075827 /nfs/dbraw/zinc/07/58/27/565075827.db2.gz HJFNCLYYXKRHDO-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000156273110 565076052 /nfs/dbraw/zinc/07/60/52/565076052.db2.gz BLGNERXFEGRSBR-MRVPVSSYSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1ccc(Cl)cc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000156275147 565078513 /nfs/dbraw/zinc/07/85/13/565078513.db2.gz KHFVHUKPZIPIRS-UHFFFAOYSA-N -1 3 380.853 3.146 20 0 GGADHM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000266434557 565079554 /nfs/dbraw/zinc/07/95/54/565079554.db2.gz LKQHDIXOKVWVCN-UHFFFAOYSA-N -1 3 375.368 3.229 20 0 GGADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000156304522 565079632 /nfs/dbraw/zinc/07/96/32/565079632.db2.gz ZWIJCXPXCBGQDB-SECBINFHSA-N -1 3 382.707 3.338 20 0 GGADHM CCSCC[C@@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000266487894 565081539 /nfs/dbraw/zinc/08/15/39/565081539.db2.gz XDCOYAWGBIKXAG-GFCCVEGCSA-N -1 3 389.543 3.110 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000156351302 565081645 /nfs/dbraw/zinc/08/16/45/565081645.db2.gz GZFCDDWBIHIPMR-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM Cc1ccc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)c([O-])c1 ZINC000156353355 565081851 /nfs/dbraw/zinc/08/18/51/565081851.db2.gz UNSKXRBMQYYUFR-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM C[C@@H](CC(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccc(F)c(Br)c1 ZINC000291869907 565082286 /nfs/dbraw/zinc/08/22/86/565082286.db2.gz ICFJLZAGKGMWLK-JTQLQIEISA-N -1 3 394.244 3.162 20 0 GGADHM COCC1CCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)CC1 ZINC000183608944 565082569 /nfs/dbraw/zinc/08/25/69/565082569.db2.gz HNMSIZVXSQAURB-ONEGZZNKSA-N -1 3 384.270 3.062 20 0 GGADHM CCN(C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1)CC(F)(F)F ZINC000156365778 565082579 /nfs/dbraw/zinc/08/25/79/565082579.db2.gz ZHUAHVHRMYOLEQ-LBPRGKRZSA-N -1 3 378.822 3.321 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cccc(C)c2Br)s1 ZINC000156374758 565083098 /nfs/dbraw/zinc/08/30/98/565083098.db2.gz IMOJMPHZUYDBNS-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM CCOC[C@H]1CCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000183620395 565083784 /nfs/dbraw/zinc/08/37/84/565083784.db2.gz XUMBLAMAISKSIB-UZYOAWRESA-N -1 3 398.297 3.452 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2cccc(C)c2Br)s1 ZINC000156432106 565086763 /nfs/dbraw/zinc/08/67/63/565086763.db2.gz CTSAEWGOYYXUSO-UHFFFAOYSA-N -1 3 375.313 3.255 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccnc1N1CCCC1 ZINC000156523225 565092051 /nfs/dbraw/zinc/09/20/51/565092051.db2.gz HNLWDSHUIYIHSB-UHFFFAOYSA-N -1 3 376.254 3.080 20 0 GGADHM O=C(CCSc1ccccc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000156521441 565092575 /nfs/dbraw/zinc/09/25/75/565092575.db2.gz JHLNDUOXPLLIKD-UHFFFAOYSA-N -1 3 378.881 3.074 20 0 GGADHM C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292034010 565093465 /nfs/dbraw/zinc/09/34/65/565093465.db2.gz XAZJYOIQSJORQD-BXUZGUMPSA-N -1 3 392.297 3.115 20 0 GGADHM C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292034013 565093735 /nfs/dbraw/zinc/09/37/35/565093735.db2.gz XAZJYOIQSJORQD-FZMZJTMJSA-N -1 3 392.297 3.115 20 0 GGADHM Cc1nnc(-c2ccccc2C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000156563948 565094730 /nfs/dbraw/zinc/09/47/30/565094730.db2.gz CIDSPKGFVOCBOM-UHFFFAOYSA-N -1 3 388.221 3.443 20 0 GGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000156567173 565095332 /nfs/dbraw/zinc/09/53/32/565095332.db2.gz XTHPQFNAIOBDIR-ZDUSSCGKSA-N -1 3 390.324 3.085 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000156586248 565096150 /nfs/dbraw/zinc/09/61/50/565096150.db2.gz XORQQNCVBQXQSQ-LLVKDONJSA-N -1 3 397.722 3.005 20 0 GGADHM CCc1nnc([N-]C(=O)c2cc(F)c(F)cc2I)s1 ZINC000156599856 565096889 /nfs/dbraw/zinc/09/68/89/565096889.db2.gz GOPAYWSFKBDVEP-UHFFFAOYSA-N -1 3 395.172 3.236 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)Nc1cccc(CN2CCSCC2)c1 ZINC000266959558 565098249 /nfs/dbraw/zinc/09/82/49/565098249.db2.gz HJLHACKCPMZYHV-UHFFFAOYSA-N -1 3 398.604 3.106 20 0 GGADHM O=C(CSc1n[n-]c(=S)s1)Nc1ccccc1CN1CCSCC1 ZINC000266956894 565098566 /nfs/dbraw/zinc/09/85/66/565098566.db2.gz GPVKLXOMLNUGPE-UHFFFAOYSA-N -1 3 398.604 3.106 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000156683309 565100913 /nfs/dbraw/zinc/10/09/13/565100913.db2.gz QIHGOJLXTBQIBS-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM CC(C)c1csc(Cc2nc(=O)c3c4c(sc3[n-]2)CS(=O)(=O)CC4)n1 ZINC000267046442 565102211 /nfs/dbraw/zinc/10/22/11/565102211.db2.gz KNCUOJUNTRHXMB-UHFFFAOYSA-N -1 3 395.531 3.039 20 0 GGADHM CCOC(=O)C(=C([O-])CSc1ncc(C(C)C)n1C)c1nc(C)cs1 ZINC000267044345 565102253 /nfs/dbraw/zinc/10/22/53/565102253.db2.gz NPVJZZVUHWDMMO-CQSZACIVSA-N -1 3 381.523 3.317 20 0 GGADHM Cc1ccc(CN2CCCC2)cc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000156829426 565107465 /nfs/dbraw/zinc/10/74/65/565107465.db2.gz VKMOQAOKJMDFLJ-UHFFFAOYSA-N -1 3 380.564 3.462 20 0 GGADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CS(=O)(=O)c1cccc([O-])c1 ZINC000183988605 565108340 /nfs/dbraw/zinc/10/83/40/565108340.db2.gz DAPKKDZTUMGNGH-UHFFFAOYSA-N -1 3 388.272 3.131 20 0 GGADHM O=S(=O)(Cc1nnc(-c2ccccc2Br)o1)c1cccc([O-])c1 ZINC000183982009 565108519 /nfs/dbraw/zinc/10/85/19/565108519.db2.gz MOQBKMLTROWKHL-UHFFFAOYSA-N -1 3 395.234 3.179 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1Br ZINC000156904536 565110033 /nfs/dbraw/zinc/11/00/33/565110033.db2.gz IURWXWDDGUNIJT-LBPRGKRZSA-N -1 3 392.290 3.358 20 0 GGADHM O=[S@@](Cc1noc(Cc2ccc(Br)cc2)n1)c1cccc([O-])c1 ZINC000184069414 565112417 /nfs/dbraw/zinc/11/24/17/565112417.db2.gz KZSBUYWHIGJPDV-QHCPKHFHSA-N -1 3 393.262 3.436 20 0 GGADHM Cc1ccc(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000184200419 565118110 /nfs/dbraw/zinc/11/81/10/565118110.db2.gz NAQXWPXFCHCNFJ-UHFFFAOYSA-N -1 3 388.258 3.222 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H](CSC)C3)nc(=O)c2c1C ZINC000292480901 565118332 /nfs/dbraw/zinc/11/83/32/565118332.db2.gz SBNQIHFGDFECOC-LLVKDONJSA-N -1 3 381.523 3.067 20 0 GGADHM COC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000157118533 565119859 /nfs/dbraw/zinc/11/98/59/565119859.db2.gz KZDUOUJBDBLGPH-UHFFFAOYSA-N -1 3 397.200 3.402 20 0 GGADHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCC[C@@H](C)C1 ZINC000184208912 565120474 /nfs/dbraw/zinc/12/04/74/565120474.db2.gz AEYKGUWPYDBMHV-KGLIPLIRSA-N -1 3 378.460 3.289 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@@H]1OCCc2sccc21 ZINC000292575727 565123245 /nfs/dbraw/zinc/12/32/45/565123245.db2.gz ZLGUJQDZDASFAS-BZNIZROVSA-N -1 3 380.491 3.008 20 0 GGADHM Cc1nc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000267594256 565123299 /nfs/dbraw/zinc/12/32/99/565123299.db2.gz VHKFPNVFAZCCOK-UHFFFAOYSA-N -1 3 385.486 3.228 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1ccc(Cl)cc1C(F)(F)F ZINC000184264900 565123488 /nfs/dbraw/zinc/12/34/88/565123488.db2.gz MBIQPUURZQECTC-NSHDSACASA-N -1 3 383.775 3.354 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCC1 ZINC000157233188 565124030 /nfs/dbraw/zinc/12/40/30/565124030.db2.gz OAWYIIMLBSNGDS-HNNXBMFYSA-N -1 3 383.466 3.494 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccccc2Br)cs1 ZINC000267636233 565126098 /nfs/dbraw/zinc/12/60/98/565126098.db2.gz PLYVIHAIENHRKT-VIFPVBQESA-N -1 3 391.312 3.092 20 0 GGADHM O=C([N-]OCC1CC1)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000292632365 565126204 /nfs/dbraw/zinc/12/62/04/565126204.db2.gz IUBBCBJMZWHLBJ-UHFFFAOYSA-N -1 3 379.214 3.495 20 0 GGADHM CCC1(C)CN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000292689936 565128976 /nfs/dbraw/zinc/12/89/76/565128976.db2.gz DGDDEABNKUAMTC-UHFFFAOYSA-N -1 3 396.228 3.417 20 0 GGADHM CSc1c(F)cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1F ZINC000184349935 565129054 /nfs/dbraw/zinc/12/90/54/565129054.db2.gz KPACBUWRQVBRLW-QMMMGPOBSA-N -1 3 392.474 3.054 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000184331255 565129079 /nfs/dbraw/zinc/12/90/79/565129079.db2.gz JLWJHZZDVVNVKT-ZDUSSCGKSA-N -1 3 378.441 3.348 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)CC2)s1 ZINC000184326396 565129932 /nfs/dbraw/zinc/12/99/32/565129932.db2.gz ZDLCROWGSWGWCE-HZPDHXFCSA-N -1 3 386.583 3.310 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccnc(OC2CCCCC2)c1 ZINC000157382750 565131159 /nfs/dbraw/zinc/13/11/59/565131159.db2.gz CCHWNGHWZIIZPH-UHFFFAOYSA-N -1 3 382.507 3.342 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000157412793 565131189 /nfs/dbraw/zinc/13/11/89/565131189.db2.gz CCSXTLINDIGVDU-UHFFFAOYSA-N -1 3 382.404 3.405 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000157412793 565131194 /nfs/dbraw/zinc/13/11/94/565131194.db2.gz CCSXTLINDIGVDU-UHFFFAOYSA-N -1 3 382.404 3.405 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1Cl ZINC000157436654 565132783 /nfs/dbraw/zinc/13/27/83/565132783.db2.gz QQOOYCCZVPYKAJ-SNVBAGLBSA-N -1 3 390.267 3.085 20 0 GGADHM CCc1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)o1 ZINC000292765363 565133389 /nfs/dbraw/zinc/13/33/89/565133389.db2.gz SRJWTIVMYUPBTO-UHFFFAOYSA-N -1 3 390.241 3.200 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)ccc1F ZINC000267870551 565133960 /nfs/dbraw/zinc/13/39/60/565133960.db2.gz UMBZELMEGRGQGN-ZDUSSCGKSA-N -1 3 382.379 3.048 20 0 GGADHM O=S(=O)([N-]c1c(F)cccc1F)c1cc(Br)cc2c1OCC2 ZINC000184461715 565135631 /nfs/dbraw/zinc/13/56/31/565135631.db2.gz SNBPGKSMJPOKJI-UHFFFAOYSA-N -1 3 390.205 3.463 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C(C)(F)F)cc1 ZINC000292816351 565135833 /nfs/dbraw/zinc/13/58/33/565135833.db2.gz TYSHCJQPICTNGY-UHFFFAOYSA-N -1 3 375.418 3.125 20 0 GGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000157553296 565136203 /nfs/dbraw/zinc/13/62/03/565136203.db2.gz YEUKKCRKARUVLR-JTQLQIEISA-N -1 3 389.315 3.047 20 0 GGADHM O=C1CCCc2ccc(S(=O)(=O)[N-][C@H](c3nccs3)C(F)(F)F)cc21 ZINC000292839512 565136978 /nfs/dbraw/zinc/13/69/78/565136978.db2.gz PNOMTNCWXGNOMV-CYBMUJFWSA-N -1 3 390.408 3.244 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cn1 ZINC000184500849 565139677 /nfs/dbraw/zinc/13/96/77/565139677.db2.gz YUXBXCCPLCCPDA-UHFFFAOYSA-N -1 3 375.219 3.183 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(N)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000370397774 565140562 /nfs/dbraw/zinc/14/05/62/565140562.db2.gz FJZUCHGLQDFLOZ-SNVBAGLBSA-N -1 3 378.841 3.012 20 0 GGADHM CCCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000184535102 565141648 /nfs/dbraw/zinc/14/16/48/565141648.db2.gz JEPYTODTYJAWQF-UHFFFAOYSA-N -1 3 388.917 3.216 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000157773785 565143750 /nfs/dbraw/zinc/14/37/50/565143750.db2.gz YLYZXDZGDISWCR-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1ccccc1[O-])c1ccc(Br)cc1 ZINC000157757178 565143898 /nfs/dbraw/zinc/14/38/98/565143898.db2.gz RHVCYCWYUPVHIS-OAHLLOKOSA-N -1 3 377.238 3.361 20 0 GGADHM O=C(NCCc1nc2ccccc2[nH]1)NCc1ccc([O-])c(Br)c1 ZINC000157785631 565143926 /nfs/dbraw/zinc/14/39/26/565143926.db2.gz JFIPUAQYBKQSNV-UHFFFAOYSA-N -1 3 389.253 3.073 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000157793485 565144805 /nfs/dbraw/zinc/14/48/05/565144805.db2.gz OYJGCAUPDRDBDW-GJZGRUSLSA-N -1 3 379.503 3.224 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)cc1F ZINC000157823676 565145489 /nfs/dbraw/zinc/14/54/89/565145489.db2.gz GQNYKLKYKAXCQY-LBPRGKRZSA-N -1 3 375.418 3.243 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000292995266 565145940 /nfs/dbraw/zinc/14/59/40/565145940.db2.gz FNXXMZWLICDRQK-UHFFFAOYSA-N -1 3 376.873 3.327 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(Br)cs2)s1 ZINC000157874071 565146680 /nfs/dbraw/zinc/14/66/80/565146680.db2.gz OHBITBVRGXDFQA-UHFFFAOYSA-N -1 3 390.284 3.110 20 0 GGADHM CCCS(=O)(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(F)cc1 ZINC000184611523 565148012 /nfs/dbraw/zinc/14/80/12/565148012.db2.gz AGRDLPZZGCCJLO-UHFFFAOYSA-N -1 3 380.466 3.424 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000157933544 565149101 /nfs/dbraw/zinc/14/91/01/565149101.db2.gz SBBGHEPQYWPLNG-UHFFFAOYSA-N -1 3 375.784 3.218 20 0 GGADHM CSc1cccc(C)c1[N-]C(=O)c1nc2ncc(Br)cn2n1 ZINC000184642725 565149887 /nfs/dbraw/zinc/14/98/87/565149887.db2.gz CGDPSDUOSFMCSR-UHFFFAOYSA-N -1 3 378.255 3.169 20 0 GGADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccncc1Br ZINC000370612197 565151940 /nfs/dbraw/zinc/15/19/40/565151940.db2.gz JTMUNYGNSSSNTQ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccncc1Br ZINC000370612197 565151943 /nfs/dbraw/zinc/15/19/43/565151943.db2.gz JTMUNYGNSSSNTQ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccncc1Br ZINC000370612197 565151948 /nfs/dbraw/zinc/15/19/48/565151948.db2.gz JTMUNYGNSSSNTQ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM CCC[C@@]1(CO)CCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000293142551 565153183 /nfs/dbraw/zinc/15/31/83/565153183.db2.gz WRYLTKGLDQJJSA-SHCNBLLESA-N -1 3 398.297 3.188 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2SC(C)C)s1 ZINC000268455030 565153538 /nfs/dbraw/zinc/15/35/38/565153538.db2.gz GRRZYIAMIDNUBH-UHFFFAOYSA-N -1 3 399.563 3.478 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)C[C@H]2CCCCO2)oc1-c1ccc(Cl)cc1 ZINC000268477983 565153549 /nfs/dbraw/zinc/15/35/49/565153549.db2.gz IOPDUBXOSMWWLT-OAHLLOKOSA-N -1 3 384.885 3.292 20 0 GGADHM COCc1nc(S[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)n[n-]1 ZINC000268498331 565154525 /nfs/dbraw/zinc/15/45/25/565154525.db2.gz REVLXWJPRSQBET-VIFPVBQESA-N -1 3 385.287 3.141 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nc(C(F)(F)F)cs2)CC1)c1cccs1 ZINC000268499446 565155028 /nfs/dbraw/zinc/15/50/28/565155028.db2.gz RYVWBIUYHZIURX-UHFFFAOYSA-N -1 3 397.469 3.171 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(Br)cc1F)c1nccs1 ZINC000184742775 565155495 /nfs/dbraw/zinc/15/54/95/565155495.db2.gz DIDPGYKNUKXBGD-UHFFFAOYSA-N -1 3 379.276 3.258 20 0 GGADHM CSc1ccc([C@H](C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000293221024 565157714 /nfs/dbraw/zinc/15/77/14/565157714.db2.gz VMFYILAKCCQPOM-VIFPVBQESA-N -1 3 379.429 3.200 20 0 GGADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(Br)cc1 ZINC000158248665 565162288 /nfs/dbraw/zinc/16/22/88/565162288.db2.gz LSELCOGAFXTAEL-OAHLLOKOSA-N -1 3 398.278 3.418 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2cccs2)c1 ZINC000158257321 565162502 /nfs/dbraw/zinc/16/25/02/565162502.db2.gz FFKCPEAVWGQMIF-IINYFYTJSA-N -1 3 387.910 3.395 20 0 GGADHM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(Br)cc1 ZINC000158248813 565162704 /nfs/dbraw/zinc/16/27/04/565162704.db2.gz LSELCOGAFXTAEL-HNNXBMFYSA-N -1 3 398.278 3.418 20 0 GGADHM O=S(=O)([N-]c1cccnc1Cl)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184878404 565162691 /nfs/dbraw/zinc/16/26/91/565162691.db2.gz RHLPGQNPHUNDMX-NSHDSACASA-N -1 3 386.832 3.090 20 0 GGADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)C1=Cc2ccccc2OCC1 ZINC000184897451 565163319 /nfs/dbraw/zinc/16/33/19/565163319.db2.gz HPNXXVLNEJVLFB-UHFFFAOYSA-N -1 3 390.408 3.405 20 0 GGADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc3c2N1CCC3 ZINC000184891642 565163623 /nfs/dbraw/zinc/16/36/23/565163623.db2.gz BSXOOIKTNOPQKJ-UHFFFAOYSA-N -1 3 380.828 3.115 20 0 GGADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1ccc(Br)cc1Cl ZINC000158313879 565165898 /nfs/dbraw/zinc/16/58/98/565165898.db2.gz LYJDRWYFKZGGPZ-UHFFFAOYSA-N -1 3 376.659 3.287 20 0 GGADHM CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000184932856 565166348 /nfs/dbraw/zinc/16/63/48/565166348.db2.gz KOXNDJMTKPGOFG-UHFFFAOYSA-N -1 3 390.933 3.027 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000268766428 565166657 /nfs/dbraw/zinc/16/66/57/565166657.db2.gz BXPJDBQQLBEBNB-LLVKDONJSA-N -1 3 376.265 3.081 20 0 GGADHM COC(=O)CCCc1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000184957071 565167511 /nfs/dbraw/zinc/16/75/11/565167511.db2.gz AGBPHACJNRWSEY-UHFFFAOYSA-N -1 3 380.495 3.400 20 0 GGADHM Cc1cc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)[n-]c(=O)n1 ZINC000268890509 565170995 /nfs/dbraw/zinc/17/09/95/565170995.db2.gz SKQOISWMYMURST-AWEZNQCLSA-N -1 3 386.210 3.150 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c(Cl)c1Cl ZINC000158473601 565171118 /nfs/dbraw/zinc/17/11/18/565171118.db2.gz LQWYJOPMJMHAKL-NSHDSACASA-N -1 3 376.261 3.014 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCc4c3cnn4C)s2)cs1 ZINC000268905251 565172079 /nfs/dbraw/zinc/17/20/79/565172079.db2.gz XPXBSKRPALZPAB-GFCCVEGCSA-N -1 3 394.547 3.269 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(Cl)c1Cl ZINC000268938448 565172684 /nfs/dbraw/zinc/17/26/84/565172684.db2.gz AOWFREQUKUCYBM-SNVBAGLBSA-N -1 3 380.293 3.382 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)s1 ZINC000268953938 565173158 /nfs/dbraw/zinc/17/31/58/565173158.db2.gz GFWQTCAOFZMICN-JTQLQIEISA-N -1 3 380.329 3.199 20 0 GGADHM COc1cc(C)c(Br)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000185038656 565173198 /nfs/dbraw/zinc/17/31/98/565173198.db2.gz HZKXHNFSVRTTHT-UHFFFAOYSA-N -1 3 391.225 3.006 20 0 GGADHM COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000158561811 565173397 /nfs/dbraw/zinc/17/33/97/565173397.db2.gz DUZDWRDOMRHCEN-HNNXBMFYSA-N -1 3 390.288 3.404 20 0 GGADHM COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000158571776 565173621 /nfs/dbraw/zinc/17/36/21/565173621.db2.gz BUDQAVZLWUXQQZ-NSHDSACASA-N -1 3 396.317 3.466 20 0 GGADHM COc1cc(/C=C/C(=O)NCC2CC(F)(F)C2)cc(Br)c1[O-] ZINC000293544368 565173968 /nfs/dbraw/zinc/17/39/68/565173968.db2.gz BICKHOYDTPXYCA-NSCUHMNNSA-N -1 3 376.197 3.338 20 0 GGADHM CC(C)S(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000269038191 565176837 /nfs/dbraw/zinc/17/68/37/565176837.db2.gz XXPONPDMYWMTFE-UHFFFAOYSA-N -1 3 393.412 3.077 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000158681500 565177403 /nfs/dbraw/zinc/17/74/03/565177403.db2.gz HWGWJLIFIOQWGN-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Nc1nnc(-c2ccccn2)[n-]1 ZINC000158718202 565178572 /nfs/dbraw/zinc/17/85/72/565178572.db2.gz FMEFHABUWPRGNB-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Nc1nc(-c2ccccn2)n[n-]1 ZINC000158718202 565178577 /nfs/dbraw/zinc/17/85/77/565178577.db2.gz FMEFHABUWPRGNB-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cc(Br)ccc1F)Nc1n[n-]c(-c2ccccn2)n1 ZINC000158718202 565178582 /nfs/dbraw/zinc/17/85/82/565178582.db2.gz FMEFHABUWPRGNB-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3CSCCS3)c2)n1 ZINC000158691906 565178797 /nfs/dbraw/zinc/17/87/97/565178797.db2.gz RHUNQWFZMZOGNP-OAHLLOKOSA-N -1 3 375.519 3.177 20 0 GGADHM O=C(NCC1CCC1)c1c[n-]c2ccc(I)cc2c1=O ZINC000269130203 565179036 /nfs/dbraw/zinc/17/90/36/565179036.db2.gz KWSRRWGBDLIYOL-UHFFFAOYSA-N -1 3 382.201 3.075 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3CSCCS3)c2)n1 ZINC000158692044 565179087 /nfs/dbraw/zinc/17/90/87/565179087.db2.gz RHUNQWFZMZOGNP-HNNXBMFYSA-N -1 3 375.519 3.177 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000158776471 565181211 /nfs/dbraw/zinc/18/12/11/565181211.db2.gz WTFYJDGBMHOFDM-UHFFFAOYSA-N -1 3 378.837 3.086 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000158790400 565182410 /nfs/dbraw/zinc/18/24/10/565182410.db2.gz RLGHKEIOFCTSIK-MRVPVSSYSA-N -1 3 391.262 3.275 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000158803143 565182461 /nfs/dbraw/zinc/18/24/61/565182461.db2.gz RTVVYORFCZGMBH-MRVPVSSYSA-N -1 3 391.262 3.275 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000158803029 565182676 /nfs/dbraw/zinc/18/26/76/565182676.db2.gz RTVVYORFCZGMBH-QMMMGPOBSA-N -1 3 391.262 3.275 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185200037 565185486 /nfs/dbraw/zinc/18/54/86/565185486.db2.gz DIJVYSYBMRPIGN-UHFFFAOYSA-N -1 3 381.816 3.121 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N(CCCO)Cc1ccccc1 ZINC000269308998 565186182 /nfs/dbraw/zinc/18/61/82/565186182.db2.gz JATVLDYLINGGJF-UHFFFAOYSA-N -1 3 393.281 3.249 20 0 GGADHM COc1cc(Cl)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000293839092 565186903 /nfs/dbraw/zinc/18/69/03/565186903.db2.gz WUVAWTYWFZZETC-SNVBAGLBSA-N -1 3 388.898 3.024 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1ccc(F)cc1Cl ZINC000269359469 565187470 /nfs/dbraw/zinc/18/74/70/565187470.db2.gz VGRFEYGGHFCAPI-GFCCVEGCSA-N -1 3 379.906 3.202 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1ccc(Cl)cc1F ZINC000269360421 565187575 /nfs/dbraw/zinc/18/75/75/565187575.db2.gz VNDBDIIHNHKLOJ-LBPRGKRZSA-N -1 3 379.906 3.202 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc(C(C)C)s2)cc1OC ZINC000269453049 565190432 /nfs/dbraw/zinc/19/04/32/565190432.db2.gz UYVXHSYSXPVROH-UHFFFAOYSA-N -1 3 383.495 3.289 20 0 GGADHM CCc1cc(=O)[n-]c(CN[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)n1 ZINC000185285258 565193542 /nfs/dbraw/zinc/19/35/42/565193542.db2.gz QNHKBCHWVHCQFV-KRWDZBQOSA-N -1 3 384.263 3.229 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000269660901 565196825 /nfs/dbraw/zinc/19/68/25/565196825.db2.gz LNEILBPYMIUBEH-UHFFFAOYSA-N -1 3 383.363 3.012 20 0 GGADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000185390446 565199273 /nfs/dbraw/zinc/19/92/73/565199273.db2.gz WHLNLADXQYLFIR-QMMMGPOBSA-N -1 3 391.262 3.275 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(C)sc2Br)s1 ZINC000269783216 565200267 /nfs/dbraw/zinc/20/02/67/565200267.db2.gz GOKGTAYUDSNUQF-UHFFFAOYSA-N -1 3 390.284 3.028 20 0 GGADHM Cc1oc2ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)cc2c1C ZINC000185411118 565200736 /nfs/dbraw/zinc/20/07/36/565200736.db2.gz RSVXVKAGNMANFW-NSHDSACASA-N -1 3 378.475 3.417 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c(Cl)cc1Cl ZINC000269953911 565203524 /nfs/dbraw/zinc/20/35/24/565203524.db2.gz SGVMOPAGLGBKJI-VIFPVBQESA-N -1 3 396.292 3.016 20 0 GGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000270037885 565206918 /nfs/dbraw/zinc/20/69/18/565206918.db2.gz IPUVLICUTFYUQQ-ZDUSSCGKSA-N -1 3 377.491 3.214 20 0 GGADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000270037884 565207203 /nfs/dbraw/zinc/20/72/03/565207203.db2.gz IPUVLICUTFYUQQ-CYBMUJFWSA-N -1 3 377.491 3.214 20 0 GGADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc(Br)cc3F)nc12 ZINC000185580458 565209803 /nfs/dbraw/zinc/20/98/03/565209803.db2.gz FNNZITLQJUPGMR-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccncc1 ZINC000185606201 565210815 /nfs/dbraw/zinc/21/08/15/565210815.db2.gz CQVKFOFDKMNULW-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1cc(F)cc(Cl)c1 ZINC000270180439 565210962 /nfs/dbraw/zinc/21/09/62/565210962.db2.gz MWBBJKCHEAZMBS-CYBMUJFWSA-N -1 3 379.906 3.202 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1cc(F)cc(Cl)c1 ZINC000270180444 565211064 /nfs/dbraw/zinc/21/10/64/565211064.db2.gz MWBBJKCHEAZMBS-ZDUSSCGKSA-N -1 3 379.906 3.202 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270180185 565211169 /nfs/dbraw/zinc/21/11/69/565211169.db2.gz MSNQTWWMSSOBKX-BSNNYGBQSA-N -1 3 387.910 3.126 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270180189 565211239 /nfs/dbraw/zinc/21/12/39/565211239.db2.gz MSNQTWWMSSOBKX-QVQLBTGDSA-N -1 3 387.910 3.126 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270180182 565211277 /nfs/dbraw/zinc/21/12/77/565211277.db2.gz MSNQTWWMSSOBKX-BGJPBQGDSA-N -1 3 387.910 3.126 20 0 GGADHM CC(C)c1nc(C(=O)[N-]c2ncn(C)n2)nn1-c1c(Cl)cccc1Cl ZINC000294434259 565212184 /nfs/dbraw/zinc/21/21/84/565212184.db2.gz GNGFDPOSXLBGKJ-UHFFFAOYSA-N -1 3 380.239 3.078 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC[C@@H]1c1ccco1 ZINC000372022534 565219057 /nfs/dbraw/zinc/21/90/57/565219057.db2.gz XJLRWENQJLHCSP-CYBMUJFWSA-N -1 3 381.226 3.031 20 0 GGADHM Cc1ccc(-c2csc3[n-]c(CSc4ncnn4C)nc(=O)c23)s1 ZINC000185772575 565220449 /nfs/dbraw/zinc/22/04/49/565220449.db2.gz IPVUBAZAKSPKLR-UHFFFAOYSA-N -1 3 375.504 3.442 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000185813258 565222450 /nfs/dbraw/zinc/22/24/50/565222450.db2.gz ALEKIQCJMBNKTA-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000185813278 565223077 /nfs/dbraw/zinc/22/30/77/565223077.db2.gz ALEKIQCJMBNKTA-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 ZINC000270588884 565223788 /nfs/dbraw/zinc/22/37/88/565223788.db2.gz SFEOLVVTUCBVHT-MRVPVSSYSA-N -1 3 380.367 3.126 20 0 GGADHM CC1([N-]S(=O)(=O)c2ccc(Br)cc2Br)CCC1 ZINC000159909221 565224109 /nfs/dbraw/zinc/22/41/09/565224109.db2.gz YUPDKEDQPVOULV-UHFFFAOYSA-N -1 3 383.105 3.433 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)Oc1ccccc1Cl ZINC000185852162 565224879 /nfs/dbraw/zinc/22/48/79/565224879.db2.gz BSGRTCCZHPYBAN-GFCCVEGCSA-N -1 3 380.853 3.368 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)Oc1cccc(Cl)c1 ZINC000185852013 565224949 /nfs/dbraw/zinc/22/49/49/565224949.db2.gz NPDCKKJJAGLMGU-GFCCVEGCSA-N -1 3 380.853 3.368 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(C)(C)C)c1O ZINC000185860480 565225014 /nfs/dbraw/zinc/22/50/14/565225014.db2.gz MRJBRFYFNUAYTI-NSHDSACASA-N -1 3 382.507 3.057 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)Oc1cccc(Cl)c1 ZINC000185852000 565225238 /nfs/dbraw/zinc/22/52/38/565225238.db2.gz NPDCKKJJAGLMGU-LBPRGKRZSA-N -1 3 380.853 3.368 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1noc2ccccc21)c1cccc(Cl)c1 ZINC000185862551 565226626 /nfs/dbraw/zinc/22/66/26/565226626.db2.gz WIIGDNMUIJAURX-QGZVFWFLSA-N -1 3 380.853 3.288 20 0 GGADHM COc1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)c(Br)c1[O-] ZINC000294853206 565231951 /nfs/dbraw/zinc/23/19/51/565231951.db2.gz SEYKHMBVSYOXKM-OAHLLOKOSA-N -1 3 380.286 3.480 20 0 GGADHM CC[C@@H]1Cc2ccccc2CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000186038703 565236399 /nfs/dbraw/zinc/23/63/99/565236399.db2.gz DLZQRTFZCOPMMG-CQSZACIVSA-N -1 3 398.937 3.043 20 0 GGADHM Cc1nc([C@H]([N-]S(=O)(=O)CC2CC(F)(F)C2)c2ccc(Cl)cc2)no1 ZINC000295070678 565243264 /nfs/dbraw/zinc/24/32/64/565243264.db2.gz CMAMJRZNYULBMV-CYBMUJFWSA-N -1 3 391.827 3.086 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000295058316 565243442 /nfs/dbraw/zinc/24/34/42/565243442.db2.gz BOZUYBOCCXZQKY-CQDKDKBSSA-N -1 3 381.391 3.150 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)cc1Cl ZINC000186157625 565243764 /nfs/dbraw/zinc/24/37/64/565243764.db2.gz CMWUKLTYKJHCQT-GFCCVEGCSA-N -1 3 392.880 3.065 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c1 ZINC000186161824 565243805 /nfs/dbraw/zinc/24/38/05/565243805.db2.gz SQKHWQQOYUQZJC-LBPRGKRZSA-N -1 3 392.315 3.085 20 0 GGADHM O=S(=O)([N-]CCCn1ccnc1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186177318 565245154 /nfs/dbraw/zinc/24/51/54/565245154.db2.gz UMUZNRZZXHWJCB-UHFFFAOYSA-N -1 3 383.901 3.084 20 0 GGADHM Cn1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c2ccccc21 ZINC000186187625 565246227 /nfs/dbraw/zinc/24/62/27/565246227.db2.gz BGSZPFNPATVIQV-UHFFFAOYSA-N -1 3 384.288 3.401 20 0 GGADHM COC[C@@H]1CCCCN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000372585266 565246675 /nfs/dbraw/zinc/24/66/75/565246675.db2.gz NIVYOKCEVQOHOU-PSKZRQQASA-N -1 3 398.297 3.452 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186208535 565247058 /nfs/dbraw/zinc/24/70/58/565247058.db2.gz CBCPXVRVQUBUFU-UHFFFAOYSA-N -1 3 376.247 3.227 20 0 GGADHM CC1CC(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000271295956 565247318 /nfs/dbraw/zinc/24/73/18/565247318.db2.gz BBIUEEGMMULRDF-UHFFFAOYSA-N -1 3 382.201 3.073 20 0 GGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000271318598 565247420 /nfs/dbraw/zinc/24/74/20/565247420.db2.gz NWNUXSDLBKMCOU-VIFPVBQESA-N -1 3 382.201 3.027 20 0 GGADHM O=C(c1ccc2n[n-]nc2c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000186212554 565247682 /nfs/dbraw/zinc/24/76/82/565247682.db2.gz BGNWYWYQCGUKCT-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)nc1C)c1ccccc1 ZINC000295156770 565247809 /nfs/dbraw/zinc/24/78/09/565247809.db2.gz GBLQOSFOIUWHOQ-AWEZNQCLSA-N -1 3 385.283 3.282 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000186271890 565251071 /nfs/dbraw/zinc/25/10/71/565251071.db2.gz QADMQXCMLXCCPI-AWEZNQCLSA-N -1 3 375.416 3.164 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(OC)CCCCC2)c1 ZINC000186274929 565251265 /nfs/dbraw/zinc/25/12/65/565251265.db2.gz HUFBDRRFAJRNLA-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM CC(C)c1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000295223599 565253112 /nfs/dbraw/zinc/25/31/12/565253112.db2.gz HRQFSSNDZFFNIL-UHFFFAOYSA-N -1 3 382.795 3.079 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1 ZINC000295255999 565254941 /nfs/dbraw/zinc/25/49/41/565254941.db2.gz QWZVHHCOIZQULK-GFCCVEGCSA-N -1 3 384.527 3.105 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000295256004 565255819 /nfs/dbraw/zinc/25/58/19/565255819.db2.gz QWZVHHCOIZQULK-LBPRGKRZSA-N -1 3 384.527 3.105 20 0 GGADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000186481480 565263261 /nfs/dbraw/zinc/26/32/61/565263261.db2.gz FWQAJJLGZKYUTO-ZETCQYMHSA-N -1 3 381.342 3.358 20 0 GGADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000186468731 565262252 /nfs/dbraw/zinc/26/22/52/565262252.db2.gz FJLRQUMWDPOCPN-UHFFFAOYSA-N -1 3 381.881 3.249 20 0 GGADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1nncn1C ZINC000295396059 565263308 /nfs/dbraw/zinc/26/33/08/565263308.db2.gz VCXBWIPOMMRBOP-GFCCVEGCSA-N -1 3 387.228 3.183 20 0 GGADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000186482311 565263287 /nfs/dbraw/zinc/26/32/87/565263287.db2.gz LABZWDKEQXQGAU-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccccc1Br ZINC000373086436 565268753 /nfs/dbraw/zinc/26/87/53/565268753.db2.gz CBOPPKWFRVPFQJ-UHFFFAOYSA-N -1 3 379.239 3.035 20 0 GGADHM Cc1nn(C)c(C)c1CCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000186649862 565274914 /nfs/dbraw/zinc/27/49/14/565274914.db2.gz GYQVXMOFQJWOBA-UHFFFAOYSA-N -1 3 384.249 3.119 20 0 GGADHM O=S(=O)([N-]C1CCN(C2CCCC2)CC1)c1c(Cl)ccnc1Cl ZINC000272078499 565276016 /nfs/dbraw/zinc/27/60/16/565276016.db2.gz AHDQTPXTBBGTQZ-UHFFFAOYSA-N -1 3 378.325 3.074 20 0 GGADHM COc1cccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1[O-] ZINC000186663558 565276326 /nfs/dbraw/zinc/27/63/26/565276326.db2.gz XFGGYYXIPQWEJU-GDBMZVCRSA-N -1 3 382.243 3.438 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1[C@@H](C)O ZINC000272104224 565276831 /nfs/dbraw/zinc/27/68/31/565276831.db2.gz MDVBVKBSJPQSSZ-SNVBAGLBSA-N -1 3 375.277 3.229 20 0 GGADHM Cc1ncsc1CCS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000295621244 565277283 /nfs/dbraw/zinc/27/72/83/565277283.db2.gz DYMSYHOFSFUTBD-OAHLLOKOSA-N -1 3 379.532 3.160 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1[C@@H](C)O ZINC000272083709 565277491 /nfs/dbraw/zinc/27/74/91/565277491.db2.gz HSNZDLLZOAOXNN-SNVBAGLBSA-N -1 3 375.277 3.229 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)sc1Br ZINC000186693505 565278532 /nfs/dbraw/zinc/27/85/32/565278532.db2.gz HIKRDBAFDCGDNY-QMMMGPOBSA-N -1 3 381.342 3.358 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)(F)F)ccc1Cl ZINC000295672108 565280391 /nfs/dbraw/zinc/28/03/91/565280391.db2.gz XEQJDOLVTMUMTH-UHFFFAOYSA-N -1 3 382.860 3.192 20 0 GGADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000186721918 565280473 /nfs/dbraw/zinc/28/04/73/565280473.db2.gz DXACQJGOIJFYFP-MRVPVSSYSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000186721901 565280673 /nfs/dbraw/zinc/28/06/73/565280673.db2.gz DXACQJGOIJFYFP-QMMMGPOBSA-N -1 3 393.303 3.435 20 0 GGADHM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295668935 565280664 /nfs/dbraw/zinc/28/06/64/565280664.db2.gz BCJSYYDVDKQIOM-UHFFFAOYSA-N -1 3 379.503 3.218 20 0 GGADHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)cc1 ZINC000295685738 565281996 /nfs/dbraw/zinc/28/19/96/565281996.db2.gz CSXWODQHIMMGNM-UHFFFAOYSA-N -1 3 388.898 3.028 20 0 GGADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000373452818 565286450 /nfs/dbraw/zinc/28/64/50/565286450.db2.gz ITZDHCHLAWVYFW-GFCCVEGCSA-N -1 3 386.260 3.399 20 0 GGADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000373452821 565286945 /nfs/dbraw/zinc/28/69/45/565286945.db2.gz ITZDHCHLAWVYFW-LBPRGKRZSA-N -1 3 386.260 3.399 20 0 GGADHM C[C@@H]1CCCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000186873031 565291344 /nfs/dbraw/zinc/29/13/44/565291344.db2.gz VECIUFGTBOSFMP-GFCCVEGCSA-N -1 3 393.336 3.310 20 0 GGADHM COc1cc(/C=C/C(=O)N(C)C[C@@H]2CCCCO2)cc(Br)c1[O-] ZINC000272616824 565291900 /nfs/dbraw/zinc/29/19/00/565291900.db2.gz PNODOIDWAXLGLA-YBJDMEARSA-N -1 3 384.270 3.204 20 0 GGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(F)cc1I ZINC000161772967 565292488 /nfs/dbraw/zinc/29/24/88/565292488.db2.gz QKESUZVVNOZRSA-NSHDSACASA-N -1 3 380.157 3.010 20 0 GGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(F)cc1I ZINC000161772967 565292492 /nfs/dbraw/zinc/29/24/92/565292492.db2.gz QKESUZVVNOZRSA-NSHDSACASA-N -1 3 380.157 3.010 20 0 GGADHM CCC(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186905322 565294217 /nfs/dbraw/zinc/29/42/17/565294217.db2.gz KXWHSVFQTFHLGQ-CQSZACIVSA-N -1 3 375.918 3.470 20 0 GGADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)nc(C(F)(F)F)n1 ZINC000186908066 565295631 /nfs/dbraw/zinc/29/56/31/565295631.db2.gz 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CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000162149296 565306804 /nfs/dbraw/zinc/30/68/04/565306804.db2.gz ADNDGTMDBYKDIV-SNVBAGLBSA-N -1 3 399.713 3.004 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)[C@@H]2CCO[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000296253233 565308867 /nfs/dbraw/zinc/30/88/67/565308867.db2.gz LOQKPDAOCZLKQF-IAQYHMDHSA-N -1 3 384.885 3.290 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)s1 ZINC000187102332 565309740 /nfs/dbraw/zinc/30/97/40/565309740.db2.gz LWGCUPTVMVICMP-KGLIPLIRSA-N -1 3 387.571 3.060 20 0 GGADHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nnc(-c2ccco2)[n-]1 ZINC000162314211 565312659 /nfs/dbraw/zinc/31/26/59/565312659.db2.gz QDDDICBECZVEDI-UHFFFAOYSA-N -1 3 386.209 3.490 20 0 GGADHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nc(-c2ccco2)n[n-]1 ZINC000162314211 565312663 /nfs/dbraw/zinc/31/26/63/565312663.db2.gz QDDDICBECZVEDI-UHFFFAOYSA-N -1 3 386.209 3.490 20 0 GGADHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1n[n-]c(-c2ccco2)n1 ZINC000162314211 565312667 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ZINC000273669407 565329861 /nfs/dbraw/zinc/32/98/61/565329861.db2.gz HKLNXEDESHVYEO-PKNBQFBNSA-N -1 3 381.226 3.001 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cnc(Cl)c(Br)c2)c(=O)[n-]1 ZINC000273659335 565330176 /nfs/dbraw/zinc/33/01/76/565330176.db2.gz XSQBJOSIMQSFRJ-UHFFFAOYSA-N -1 3 385.649 3.181 20 0 GGADHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000162841880 565330159 /nfs/dbraw/zinc/33/01/59/565330159.db2.gz BEEZWCYVEOSORH-IUCAKERBSA-N -1 3 382.707 3.337 20 0 GGADHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000162875056 565330371 /nfs/dbraw/zinc/33/03/71/565330371.db2.gz PWZUKCHHUNCBNZ-IUCAKERBSA-N -1 3 382.707 3.337 20 0 GGADHM CC(C)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000187410658 565330327 /nfs/dbraw/zinc/33/03/27/565330327.db2.gz RTGNIUUXSNNMNP-CQSZACIVSA-N -1 3 387.929 3.470 20 0 GGADHM O=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1nc(C2CC2)n[n-]1 ZINC000187413909 565331508 /nfs/dbraw/zinc/33/15/08/565331508.db2.gz DWUSYSOBPJJIBI-UHFFFAOYSA-N -1 3 380.882 3.433 20 0 GGADHM O=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1nnc(C2CC2)[n-]1 ZINC000187413909 565331512 /nfs/dbraw/zinc/33/15/12/565331512.db2.gz DWUSYSOBPJJIBI-UHFFFAOYSA-N -1 3 380.882 3.433 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)on1 ZINC000162974914 565334077 /nfs/dbraw/zinc/33/40/77/565334077.db2.gz PGMFGWYLKNNPBD-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM COc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)c(Br)c1[O-] ZINC000273792742 565336596 /nfs/dbraw/zinc/33/65/96/565336596.db2.gz VRGLFMCYWYWTIT-GFCCVEGCSA-N -1 3 382.258 3.234 20 0 GGADHM CSc1ccccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000187532774 565339646 /nfs/dbraw/zinc/33/96/46/565339646.db2.gz HYQHHOFLJWKZIS-UHFFFAOYSA-N -1 3 388.308 3.355 20 0 GGADHM CC(C)(CO)ON=C([O-])Nc1ccnc(Oc2ccccc2Br)c1 ZINC000296832490 565340137 /nfs/dbraw/zinc/34/01/37/565340137.db2.gz LJZVYZJZFAPAGT-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM CC(C)(CO)O[N-]C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000296832490 565340140 /nfs/dbraw/zinc/34/01/40/565340140.db2.gz LJZVYZJZFAPAGT-UHFFFAOYSA-N -1 3 396.241 3.460 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(F)cc1Br ZINC000374452776 565340244 /nfs/dbraw/zinc/34/02/44/565340244.db2.gz MVLALTMXHTZUDM-CQSZACIVSA-N -1 3 392.290 3.216 20 0 GGADHM CCn1cc([C@H](C)NC(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)cn1 ZINC000296844125 565340709 /nfs/dbraw/zinc/34/07/09/565340709.db2.gz FPWXDZHRMNGJGW-QRGHLMKCSA-N -1 3 394.269 3.270 20 0 GGADHM COc1ccc(CNCc2ccnc(N3CCCC3)c2)c(Br)c1[O-] ZINC000273863158 565340902 /nfs/dbraw/zinc/34/09/02/565340902.db2.gz VAAHRZSQIBXVQD-UHFFFAOYSA-N -1 3 392.297 3.448 20 0 GGADHM COc1cc(/C=C/C(=O)NCCc2scnc2C)cc(Br)c1[O-] ZINC000296874965 565342613 /nfs/dbraw/zinc/34/26/13/565342613.db2.gz KBXWNRJRYFJSTM-ONEGZZNKSA-N -1 3 397.294 3.300 20 0 GGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3csc(S(C)(=O)=O)c3)s2)cc1 ZINC000163313391 565342933 /nfs/dbraw/zinc/34/29/33/565342933.db2.gz CFWHEBWNACDQDJ-UHFFFAOYSA-N -1 3 393.515 3.155 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000187596455 565344283 /nfs/dbraw/zinc/34/42/83/565344283.db2.gz IZJHTHXMPLJANV-QMMMGPOBSA-N -1 3 388.276 3.473 20 0 GGADHM CC(C)OCCCc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000273911024 565344475 /nfs/dbraw/zinc/34/44/75/565344475.db2.gz OXGJSBQOLQZGQO-LBPRGKRZSA-N -1 3 387.889 3.120 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@H](OC)C(C)(C)C2)cc(Br)c1[O-] ZINC000296938748 565346493 /nfs/dbraw/zinc/34/64/93/565346493.db2.gz IXJRLIDLHSYQNP-NFAHFFEMSA-N -1 3 398.297 3.450 20 0 GGADHM COc1cc(/C=C/C(=O)N2CC[C@H](O)CC(C)(C)C2)cc(Br)c1[O-] ZINC000296994043 565349297 /nfs/dbraw/zinc/34/92/97/565349297.db2.gz PZMIVPUIQGOUIJ-IHVVCDCBSA-N -1 3 398.297 3.186 20 0 GGADHM O=C([O-])[C@]12CCC[C@H]1CN([C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000297003113 565349751 /nfs/dbraw/zinc/34/97/51/565349751.db2.gz PGHUWEARKKYEQI-GYOIFBIXSA-N -1 3 383.275 3.285 20 0 GGADHM O=C(c1cccc2[n-]nnc21)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706868 565350097 /nfs/dbraw/zinc/35/00/97/565350097.db2.gz WAUUUSVCTJDBOW-OAHLLOKOSA-N -1 3 377.231 3.478 20 0 GGADHM O=C(c1cccc2nn[n-]c21)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706868 565350102 /nfs/dbraw/zinc/35/01/02/565350102.db2.gz WAUUUSVCTJDBOW-OAHLLOKOSA-N -1 3 377.231 3.478 20 0 GGADHM O=C(c1cccc2n[n-]nc21)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706868 565350106 /nfs/dbraw/zinc/35/01/06/565350106.db2.gz WAUUUSVCTJDBOW-OAHLLOKOSA-N -1 3 377.231 3.478 20 0 GGADHM O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccc2nn[n-]c21 ZINC000187699593 565350259 /nfs/dbraw/zinc/35/02/59/565350259.db2.gz PUTYAXLEPBGTDV-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccc2[n-]nnc21 ZINC000187699593 565350261 /nfs/dbraw/zinc/35/02/61/565350261.db2.gz PUTYAXLEPBGTDV-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccc2n[n-]nc21 ZINC000187699593 565350263 /nfs/dbraw/zinc/35/02/63/565350263.db2.gz PUTYAXLEPBGTDV-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM O=C([N-]OCC1CC1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000297016326 565350951 /nfs/dbraw/zinc/35/09/51/565350951.db2.gz GUUGSVBTMGAHRJ-UHFFFAOYSA-N -1 3 382.258 3.148 20 0 GGADHM COc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc(OC)c1[O-] ZINC000163847706 565352675 /nfs/dbraw/zinc/35/26/75/565352675.db2.gz ZGYAUUBDYDAMNL-UHFFFAOYSA-N -1 3 376.356 3.157 20 0 GGADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(CSC)c3)no2)c(C)o1 ZINC000274041456 565352841 /nfs/dbraw/zinc/35/28/41/565352841.db2.gz UKUISPCNXLZHEG-UHFFFAOYSA-N -1 3 379.463 3.076 20 0 GGADHM COc1ccc(Br)c(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000164233645 565357976 /nfs/dbraw/zinc/35/79/76/565357976.db2.gz XVAZTEMPTUGWRR-UHFFFAOYSA-N -1 3 391.225 3.325 20 0 GGADHM COc1ccc(Br)c(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000164233645 565357979 /nfs/dbraw/zinc/35/79/79/565357979.db2.gz XVAZTEMPTUGWRR-UHFFFAOYSA-N -1 3 391.225 3.325 20 0 GGADHM COc1ccc(Br)c(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000164233645 565357984 /nfs/dbraw/zinc/35/79/84/565357984.db2.gz XVAZTEMPTUGWRR-UHFFFAOYSA-N -1 3 391.225 3.325 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1Cl ZINC000164654934 565361251 /nfs/dbraw/zinc/36/12/51/565361251.db2.gz CNHAYXSFSSJSQD-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1c(F)cc(Br)cc1F ZINC000164786492 565362381 /nfs/dbraw/zinc/36/23/81/565362381.db2.gz ZZKNXFXSGVGUJC-UHFFFAOYSA-N -1 3 398.616 3.159 20 0 GGADHM Cc1sc2[n-]c(-c3cc(Br)c(C)n(C)c3=O)nc(=O)c2c1C ZINC000274233143 565363182 /nfs/dbraw/zinc/36/31/82/565363182.db2.gz TVQYGGLPFQUIJT-UHFFFAOYSA-N -1 3 380.267 3.450 20 0 GGADHM Cc1c2nc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)sc2ccc1F ZINC000164796055 565363372 /nfs/dbraw/zinc/36/33/72/565363372.db2.gz IPCJAKNQTGBIEZ-VIFPVBQESA-N -1 3 399.494 3.111 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)cc1Cl ZINC000375106197 565369311 /nfs/dbraw/zinc/36/93/11/565369311.db2.gz QPDKLJIWLAKWHN-UHFFFAOYSA-N -1 3 390.292 3.013 20 0 GGADHM Cn1ccnc1[C@@H]1N(C(=O)NCc2ccc([O-])c(Br)c2)CC1(C)C ZINC000297376533 565370034 /nfs/dbraw/zinc/37/00/34/565370034.db2.gz QDKXEXDBRAWACI-AWEZNQCLSA-N -1 3 393.285 3.181 20 0 GGADHM Cc1ccc(NC(=O)C(C)(C)O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000188049283 565373099 /nfs/dbraw/zinc/37/30/99/565373099.db2.gz YTZBZDGGBLYKQR-UHFFFAOYSA-N -1 3 382.869 3.159 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000274600949 565374492 /nfs/dbraw/zinc/37/44/92/565374492.db2.gz DSSDIIDHVUAKID-ZDUSSCGKSA-N -1 3 384.885 3.190 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@](C)(C(N)=O)c2cccc(Cl)c2)sc1Cl ZINC000188085668 565377954 /nfs/dbraw/zinc/37/79/54/565377954.db2.gz KZKUYFCLTVRQNS-CQSZACIVSA-N -1 3 393.317 3.042 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(Br)s1 ZINC000167264147 565378492 /nfs/dbraw/zinc/37/84/92/565378492.db2.gz OGSLQGRJDDRXMJ-WQAKAFBOSA-N -1 3 392.340 3.137 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)sc1Cl ZINC000188098868 565379297 /nfs/dbraw/zinc/37/92/97/565379297.db2.gz JKDSKWOYODTTDG-JTQLQIEISA-N -1 3 392.333 3.316 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccncc2C)sc1Br ZINC000167721265 565379495 /nfs/dbraw/zinc/37/94/95/565379495.db2.gz IBWCIJWHJLXQSL-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000167908528 565380470 /nfs/dbraw/zinc/38/04/70/565380470.db2.gz ZEWJFSZMHDNLMI-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cc(Br)c(F)cc1F ZINC000188141494 565382460 /nfs/dbraw/zinc/38/24/60/565382460.db2.gz VDLMJBFOZPPWNE-UHFFFAOYSA-N -1 3 398.163 3.128 20 0 GGADHM CCCCN(Cc1cc(Cl)c([O-])c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000297754845 565385415 /nfs/dbraw/zinc/38/54/15/565385415.db2.gz LGIYCFRXQCSJQT-AWEZNQCLSA-N -1 3 375.918 3.234 20 0 GGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000170657718 565385805 /nfs/dbraw/zinc/38/58/05/565385805.db2.gz DCPYGKYPPPWQJW-ZDUSSCGKSA-N -1 3 378.475 3.155 20 0 GGADHM O=S(=O)(C[C@H]1CCCO1)[N-]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000170657719 565385898 /nfs/dbraw/zinc/38/58/98/565385898.db2.gz DCPYGKYPPPWQJW-CYBMUJFWSA-N -1 3 378.475 3.155 20 0 GGADHM Cc1cc(C)c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c(Br)c1 ZINC000274994411 565388563 /nfs/dbraw/zinc/38/85/63/565388563.db2.gz FDGCMYSYOVTJJU-UHFFFAOYSA-N -1 3 394.241 3.328 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(NC([O-])=NOC(C)(C)CO)c1C ZINC000297904331 565391443 /nfs/dbraw/zinc/39/14/43/565391443.db2.gz XWCXPHHUFLJNMZ-UHFFFAOYSA-N -1 3 397.273 3.076 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[N-]OC(C)(C)CO)c1C ZINC000297904331 565391446 /nfs/dbraw/zinc/39/14/46/565391446.db2.gz XWCXPHHUFLJNMZ-UHFFFAOYSA-N -1 3 397.273 3.076 20 0 GGADHM CCOc1cc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000297968061 565393805 /nfs/dbraw/zinc/39/38/05/565393805.db2.gz XAYPOHSXSBWPOJ-GOEBONIOSA-N -1 3 375.918 3.232 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1F ZINC000170839417 565394457 /nfs/dbraw/zinc/39/44/57/565394457.db2.gz LCIMEUFGEFYDEJ-UHFFFAOYSA-N -1 3 381.816 3.474 20 0 GGADHM Cn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000275222617 565398010 /nfs/dbraw/zinc/39/80/10/565398010.db2.gz CGXWDFIUVSPILY-WFASDCNBSA-N -1 3 397.909 3.097 20 0 GGADHM O=C(NCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)c1cccs1 ZINC000188398600 565399095 /nfs/dbraw/zinc/39/90/95/565399095.db2.gz WSMFDWDCNXXMGD-UHFFFAOYSA-N -1 3 380.882 3.013 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCOCC(F)(F)F)cc1Cl ZINC000170939753 565399846 /nfs/dbraw/zinc/39/98/46/565399846.db2.gz WBOLDSWLWZDLFK-UHFFFAOYSA-N -1 3 396.214 3.249 20 0 GGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1C ZINC000275263359 565400037 /nfs/dbraw/zinc/40/00/37/565400037.db2.gz SKAGKJZAKGQWDM-UHFFFAOYSA-N -1 3 383.392 3.152 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cc2ccccc2s1 ZINC000170952569 565400738 /nfs/dbraw/zinc/40/07/38/565400738.db2.gz LAAKBTZLRUGLDS-NSHDSACASA-N -1 3 380.516 3.119 20 0 GGADHM Cc1csc(C(=O)NCc2ccc([O-])c(F)c2)c1I ZINC000188451001 565402073 /nfs/dbraw/zinc/40/20/73/565402073.db2.gz MMDRGZWVLFMCNF-UHFFFAOYSA-N -1 3 391.205 3.436 20 0 GGADHM COc1cc(OC)c(NC([O-])=NO[C@@H]2CCCCO2)cc1Br ZINC000275318993 565402311 /nfs/dbraw/zinc/40/23/11/565402311.db2.gz SQSGOUQWTNEYKG-CYBMUJFWSA-N -1 3 375.219 3.046 20 0 GGADHM COc1cc(OC)c(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Br ZINC000275318993 565402314 /nfs/dbraw/zinc/40/23/14/565402314.db2.gz SQSGOUQWTNEYKG-CYBMUJFWSA-N -1 3 375.219 3.046 20 0 GGADHM Cc1cc(NC(=O)c2ccc3n[n-]nc3c2)n(-c2cccc(Br)c2)n1 ZINC000171017145 565402857 /nfs/dbraw/zinc/40/28/57/565402857.db2.gz JLJZPGWMOPMJSR-UHFFFAOYSA-N -1 3 397.236 3.467 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1cc(Cl)ccc1Cl ZINC000171045055 565405497 /nfs/dbraw/zinc/40/54/97/565405497.db2.gz UPWFSHXEXJLAIT-UHFFFAOYSA-N -1 3 392.235 3.478 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1c(Cl)cccc1Cl ZINC000171045025 565405662 /nfs/dbraw/zinc/40/56/62/565405662.db2.gz YWBOZDXRWVGAEZ-UHFFFAOYSA-N -1 3 392.235 3.478 20 0 GGADHM CCc1ccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1 ZINC000188514212 565405912 /nfs/dbraw/zinc/40/59/12/565405912.db2.gz PJJWRLUPKQHBDB-HNNXBMFYSA-N -1 3 379.865 3.209 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCc2nccn2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000275366073 565406082 /nfs/dbraw/zinc/40/60/82/565406082.db2.gz WMJHXFOQZBQQCD-JTQLQIEISA-N -1 3 393.818 3.096 20 0 GGADHM CCC1(CC)CCCN(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CC1 ZINC000188536712 565406750 /nfs/dbraw/zinc/40/67/50/565406750.db2.gz UNBSPRUGYRPPGW-UHFFFAOYSA-N -1 3 387.571 3.158 20 0 GGADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000188553008 565407739 /nfs/dbraw/zinc/40/77/39/565407739.db2.gz HXKFQRRENKARJF-KCJUWKMLSA-N -1 3 377.837 3.163 20 0 GGADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000188545019 565408218 /nfs/dbraw/zinc/40/82/18/565408218.db2.gz LVDPJVAUAXONLF-NOZJJQNGSA-N -1 3 389.798 3.241 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(F)F)cc1 ZINC000298308263 565408373 /nfs/dbraw/zinc/40/83/73/565408373.db2.gz JKVAJFKTDZAFLH-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2c(C)csc2C(=O)OC)c1 ZINC000275432232 565410588 /nfs/dbraw/zinc/41/05/88/565410588.db2.gz OPALGZKJSREOLU-UHFFFAOYSA-N -1 3 385.438 3.028 20 0 GGADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(Br)cc1 ZINC000188595362 565411151 /nfs/dbraw/zinc/41/11/51/565411151.db2.gz TXRMSJJHGRQEEC-UHFFFAOYSA-N -1 3 384.251 3.028 20 0 GGADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000188596321 565411340 /nfs/dbraw/zinc/41/13/40/565411340.db2.gz ATFWJFDPVVQJTA-UHFFFAOYSA-N -1 3 398.278 3.336 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccc1OC(F)F)c1ccco1 ZINC000188652149 565415206 /nfs/dbraw/zinc/41/52/06/565415206.db2.gz OZEVZFFXBCZOEN-UHFFFAOYSA-N -1 3 382.182 3.122 20 0 GGADHM CC(C)(C)c1nc(CC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cs1 ZINC000171186285 565415663 /nfs/dbraw/zinc/41/56/63/565415663.db2.gz RORXGBDSARLSNH-UHFFFAOYSA-N -1 3 385.486 3.132 20 0 GGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000188710375 565418988 /nfs/dbraw/zinc/41/89/88/565418988.db2.gz PAZZDJZPERIFQY-LLVKDONJSA-N -1 3 378.822 3.367 20 0 GGADHM CCOc1cc(CNc2ccc(CNS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000298549911 565420198 /nfs/dbraw/zinc/42/01/98/565420198.db2.gz UMOVLFVSIIZVTL-UHFFFAOYSA-N -1 3 384.885 3.106 20 0 GGADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000275656855 565422137 /nfs/dbraw/zinc/42/21/37/565422137.db2.gz DKSBTAOWNLKNGI-UHFFFAOYSA-N -1 3 389.340 3.416 20 0 GGADHM CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000188782108 565423498 /nfs/dbraw/zinc/42/34/98/565423498.db2.gz VNHXWZSTPYSMMT-UHFFFAOYSA-N -1 3 377.238 3.352 20 0 GGADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccsc3Cl)ccc2O1 ZINC000275697067 565423860 /nfs/dbraw/zinc/42/38/60/565423860.db2.gz JWWQWCSNCWSCNY-ZDUSSCGKSA-N -1 3 387.866 3.069 20 0 GGADHM O=C(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)Nc1cccc(F)c1 ZINC000188823602 565426299 /nfs/dbraw/zinc/42/62/99/565426299.db2.gz VEJQDMPNKJSLHL-UHFFFAOYSA-N -1 3 378.816 3.299 20 0 GGADHM CCOc1cc(CNCc2ccc(CS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000298711826 565426389 /nfs/dbraw/zinc/42/63/89/565426389.db2.gz VDEJUMLEUVAVMR-UHFFFAOYSA-N -1 3 383.897 3.279 20 0 GGADHM Cc1cnccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000188838641 565426473 /nfs/dbraw/zinc/42/64/73/565426473.db2.gz UOVSQBFROMOXLS-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1F ZINC000171344271 565426907 /nfs/dbraw/zinc/42/69/07/565426907.db2.gz VIQPACCNRSIMSQ-UHFFFAOYSA-N -1 3 381.816 3.474 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000171344221 565427365 /nfs/dbraw/zinc/42/73/65/565427365.db2.gz GTBDHWZKAGZFRY-UHFFFAOYSA-N -1 3 377.853 3.473 20 0 GGADHM O=C(NCCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)c1cccs1 ZINC000188863847 565428710 /nfs/dbraw/zinc/42/87/10/565428710.db2.gz HEPQHTYLEOSYJN-UHFFFAOYSA-N -1 3 394.909 3.403 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccccn3)s2)c1 ZINC000171403718 565429474 /nfs/dbraw/zinc/42/94/74/565429474.db2.gz JGNNNFZZRUSABM-UHFFFAOYSA-N -1 3 377.422 3.000 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1cccnc1 ZINC000171415233 565430618 /nfs/dbraw/zinc/43/06/18/565430618.db2.gz LZQQMZBLTZSMOO-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM CC[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N(C)C ZINC000298898139 565433012 /nfs/dbraw/zinc/43/30/12/565433012.db2.gz KNJTXJLNZSWWKT-JTQLQIEISA-N -1 3 380.080 3.196 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000276016355 565433744 /nfs/dbraw/zinc/43/37/44/565433744.db2.gz JYOKLBCLPPPULU-CYBMUJFWSA-N -1 3 387.523 3.003 20 0 GGADHM C[C@@H](C[S@@](C)=O)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000298949421 565435274 /nfs/dbraw/zinc/43/52/74/565435274.db2.gz OMDNRWXRTHUAGJ-UOXLDJKESA-N -1 3 375.519 3.263 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)s1 ZINC000299008209 565436304 /nfs/dbraw/zinc/43/63/04/565436304.db2.gz DXOOXRDPRSWHIV-LLVKDONJSA-N -1 3 386.926 3.120 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000171639155 565440780 /nfs/dbraw/zinc/44/07/80/565440780.db2.gz GDUNTPXDCXFMLT-UHFFFAOYSA-N -1 3 377.315 3.432 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189080214 565442419 /nfs/dbraw/zinc/44/24/19/565442419.db2.gz BYCKXVZJNPKLNR-HUUCEWRRSA-N -1 3 379.503 3.224 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(C)cnc3Cl)cc2)CC1 ZINC000276306466 565443599 /nfs/dbraw/zinc/44/35/99/565443599.db2.gz DQTBKCDWTRZRQI-UHFFFAOYSA-N -1 3 380.853 3.049 20 0 GGADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C)cnc3Cl)cc21 ZINC000276343054 565444793 /nfs/dbraw/zinc/44/47/93/565444793.db2.gz KDDHBBCYIBDGJI-UHFFFAOYSA-N -1 3 379.869 3.143 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)CN3CCCCC3)s2)cs1 ZINC000189125947 565445174 /nfs/dbraw/zinc/44/51/74/565445174.db2.gz QYHFMQRYVOBCKN-GFCCVEGCSA-N -1 3 385.580 3.333 20 0 GGADHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000171711456 565445562 /nfs/dbraw/zinc/44/55/62/565445562.db2.gz OQXCPIKCYIDPJA-UHFFFAOYSA-N -1 3 387.288 3.473 20 0 GGADHM COCCOc1c(Cl)cc(NC(=O)[N-]OC[C@H]2CCOC2)cc1Cl ZINC000276393037 565447504 /nfs/dbraw/zinc/44/75/04/565447504.db2.gz NGFXQWYNFQGIPJ-JTQLQIEISA-N -1 3 379.240 3.108 20 0 GGADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000276416722 565448683 /nfs/dbraw/zinc/44/86/83/565448683.db2.gz YVYMDHJKXAIOJB-GFCCVEGCSA-N -1 3 382.379 3.000 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000276401297 565448701 /nfs/dbraw/zinc/44/87/01/565448701.db2.gz KPXKLTDXKMKAMA-QMMMGPOBSA-N -1 3 399.163 3.437 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000276401297 565448703 /nfs/dbraw/zinc/44/87/03/565448703.db2.gz KPXKLTDXKMKAMA-QMMMGPOBSA-N -1 3 399.163 3.437 20 0 GGADHM CCOC(=O)c1c2c(sc1NC([O-])=NOC[C@@H]1CCOC1)SCCC2 ZINC000276415909 565448827 /nfs/dbraw/zinc/44/88/27/565448827.db2.gz QCYFFCOVKJIOHS-SNVBAGLBSA-N -1 3 386.495 3.053 20 0 GGADHM CCOC(=O)c1c2c(sc1NC(=O)[N-]OC[C@@H]1CCOC1)SCCC2 ZINC000276415909 565448830 /nfs/dbraw/zinc/44/88/30/565448830.db2.gz QCYFFCOVKJIOHS-SNVBAGLBSA-N -1 3 386.495 3.053 20 0 GGADHM CCn1cc(C=C(Cl)c2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cn1 ZINC000171805751 565451921 /nfs/dbraw/zinc/45/19/21/565451921.db2.gz HHPPYMFPPOHSSK-YHYXMXQVSA-N -1 3 378.841 3.033 20 0 GGADHM Cc1noc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000299471473 565452197 /nfs/dbraw/zinc/45/21/97/565452197.db2.gz CALNYZDIPLXANP-UHFFFAOYSA-N -1 3 385.873 3.226 20 0 GGADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[N-]OC[C@H]1CCOC1 ZINC000189240445 565453673 /nfs/dbraw/zinc/45/36/73/565453673.db2.gz FZIZXOPDMDBSCN-LBPRGKRZSA-N -1 3 384.263 3.245 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c1 ZINC000171834429 565453943 /nfs/dbraw/zinc/45/39/43/565453943.db2.gz BFQNKJJYSJUXNN-UHFFFAOYSA-N -1 3 377.796 3.429 20 0 GGADHM CC[C@H](C)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171866626 565455071 /nfs/dbraw/zinc/45/50/71/565455071.db2.gz APZUQMONHUGJPJ-LBPRGKRZSA-N -1 3 386.564 3.406 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)sc1Cl ZINC000276643526 565455306 /nfs/dbraw/zinc/45/53/06/565455306.db2.gz HTHXIBYLKODUKL-UHFFFAOYSA-N -1 3 378.903 3.492 20 0 GGADHM CC[C@@H](C)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171866624 565455509 /nfs/dbraw/zinc/45/55/09/565455509.db2.gz APZUQMONHUGJPJ-GFCCVEGCSA-N -1 3 386.564 3.406 20 0 GGADHM CCOC(=O)CCC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000276644666 565455806 /nfs/dbraw/zinc/45/58/06/565455806.db2.gz ZWQCGSLOYNHICJ-UHFFFAOYSA-N -1 3 383.857 3.042 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1F ZINC000299626505 565456886 /nfs/dbraw/zinc/45/68/86/565456886.db2.gz FUFCKIGIKLOXRE-UHFFFAOYSA-N -1 3 383.470 3.175 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1NC(C)(C)C ZINC000276712349 565457770 /nfs/dbraw/zinc/45/77/70/565457770.db2.gz RHJTUAXCFOVSMP-GFCCVEGCSA-N -1 3 381.523 3.264 20 0 GGADHM COc1c(Cl)cc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)[N-]C2=O)cc1Cl ZINC000299674515 565458829 /nfs/dbraw/zinc/45/88/29/565458829.db2.gz RKGYADUWZWRNGX-XVKPBYJWSA-N -1 3 385.169 3.398 20 0 GGADHM CCCCCc1nnc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000299696722 565458880 /nfs/dbraw/zinc/45/88/80/565458880.db2.gz YJWCIXVFOMSNJF-UHFFFAOYSA-N -1 3 386.474 3.034 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)sc1Cl ZINC000276755325 565459771 /nfs/dbraw/zinc/45/97/71/565459771.db2.gz UCHUFBBDUUMNGV-CWKPULSASA-N -1 3 377.940 3.487 20 0 GGADHM CC[C@H](C)[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171969768 565459817 /nfs/dbraw/zinc/45/98/17/565459817.db2.gz YEKGKZUMSIVKEJ-RYUDHWBXSA-N -1 3 386.564 3.453 20 0 GGADHM CC[C@H](C)[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171969763 565460739 /nfs/dbraw/zinc/46/07/39/565460739.db2.gz YEKGKZUMSIVKEJ-NWDGAFQWSA-N -1 3 386.564 3.453 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)n[nH]1 ZINC000276799619 565460970 /nfs/dbraw/zinc/46/09/70/565460970.db2.gz GFUAMNZCEPLXMH-JGVFFNPUSA-N -1 3 393.332 3.182 20 0 GGADHM O=S(=O)(CCc1ccccc1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000172023022 565463110 /nfs/dbraw/zinc/46/31/10/565463110.db2.gz PODMBNSIYGEBRM-UHFFFAOYSA-N -1 3 377.853 3.052 20 0 GGADHM COc1ccc(CN2CCSC[C@@H]2c2cnn(C)c2)c(Br)c1[O-] ZINC000276838139 565463525 /nfs/dbraw/zinc/46/35/25/565463525.db2.gz SEMDIHPBUKWYIM-CYBMUJFWSA-N -1 3 398.326 3.187 20 0 GGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000172063096 565465100 /nfs/dbraw/zinc/46/51/00/565465100.db2.gz WSKBZHFUKOWBTM-UWVGGRQHSA-N -1 3 389.315 3.047 20 0 GGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000172063088 565465295 /nfs/dbraw/zinc/46/52/95/565465295.db2.gz WSKBZHFUKOWBTM-VHSXEESVSA-N -1 3 389.315 3.047 20 0 GGADHM C[C@H](CC1CCCC1)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000172094528 565465900 /nfs/dbraw/zinc/46/59/00/565465900.db2.gz CEIFQJWDCUASAU-CQSZACIVSA-N -1 3 384.567 3.234 20 0 GGADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)n[nH]1 ZINC000276934911 565467401 /nfs/dbraw/zinc/46/74/01/565467401.db2.gz MTVRADJRCVXMJL-NXEZZACHSA-N -1 3 384.889 3.214 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276937086 565467551 /nfs/dbraw/zinc/46/75/51/565467551.db2.gz BNOCBIAUUFFLSU-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1cc(Br)ccc1Br ZINC000189470103 565467857 /nfs/dbraw/zinc/46/78/57/565467857.db2.gz MHUBTWJYDIKNDX-MRVPVSSYSA-N -1 3 394.063 3.301 20 0 GGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(Br)ccc1Br ZINC000189470103 565467860 /nfs/dbraw/zinc/46/78/60/565467860.db2.gz MHUBTWJYDIKNDX-MRVPVSSYSA-N -1 3 394.063 3.301 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000172160969 565469243 /nfs/dbraw/zinc/46/92/43/565469243.db2.gz NZMLMRLWUREBFF-UHFFFAOYSA-N -1 3 394.396 3.421 20 0 GGADHM Cc1nc(CCNCc2cc(Br)cc3c2OCC3)sc1C(=O)[O-] ZINC000276993580 565470220 /nfs/dbraw/zinc/47/02/20/565470220.db2.gz KEMPLXCMPHJIBL-UHFFFAOYSA-N -1 3 397.294 3.179 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cccc(Cl)c1Br ZINC000277045654 565473371 /nfs/dbraw/zinc/47/33/71/565473371.db2.gz KXQOSNWWSJHTCO-JQWIXIFHSA-N -1 3 394.718 3.338 20 0 GGADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](CC(=O)[O-])CC(C)C ZINC000277091521 565476035 /nfs/dbraw/zinc/47/60/35/565476035.db2.gz XREPJHVFTARMNI-ZDUSSCGKSA-N -1 3 375.918 3.360 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cc(Br)ccc1Cl ZINC000277157425 565478752 /nfs/dbraw/zinc/47/87/52/565478752.db2.gz DBNYMENUWSUONK-AWEZNQCLSA-N -1 3 375.694 3.131 20 0 GGADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cc(Br)ccc1Cl ZINC000277157430 565478924 /nfs/dbraw/zinc/47/89/24/565478924.db2.gz DBNYMENUWSUONK-CQSZACIVSA-N -1 3 375.694 3.131 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)s1 ZINC000277141933 565479047 /nfs/dbraw/zinc/47/90/47/565479047.db2.gz KAJBDQCIIAWMNN-ZCFIWIBFSA-N -1 3 396.719 3.302 20 0 GGADHM O=C(CCc1cc(Cl)cs1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000172354140 565479972 /nfs/dbraw/zinc/47/99/72/565479972.db2.gz FSOPNENLOKHDNA-UHFFFAOYSA-N -1 3 378.881 3.024 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189668902 565481007 /nfs/dbraw/zinc/48/10/07/565481007.db2.gz KGLGJAJXMYRKFT-VHSXEESVSA-N -1 3 385.429 3.243 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000189674792 565481120 /nfs/dbraw/zinc/48/11/20/565481120.db2.gz VQHHUCGFRSVQKP-UHFFFAOYSA-N -1 3 393.408 3.340 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189668966 565481340 /nfs/dbraw/zinc/48/13/40/565481340.db2.gz KGLGJAJXMYRKFT-ZJUUUORDSA-N -1 3 385.429 3.243 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc([C@H]4C[C@]45CCOC5)n3)[n-]2)c1 ZINC000377462958 565481362 /nfs/dbraw/zinc/48/13/62/565481362.db2.gz KZNQRBVRQWOKTB-BZNIZROVSA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@H]4C[C@]45CCOC5)n3)n2)c1 ZINC000377462958 565481368 /nfs/dbraw/zinc/48/13/68/565481368.db2.gz KZNQRBVRQWOKTB-BZNIZROVSA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2nc(-c3noc([C@H]4C[C@]45CCOC5)n3)n[n-]2)c1 ZINC000377462958 565481373 /nfs/dbraw/zinc/48/13/73/565481373.db2.gz KZNQRBVRQWOKTB-BZNIZROVSA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc([C@@H]4C[C@@]45CCOC5)n3)[n-]2)c1 ZINC000377462959 565481651 /nfs/dbraw/zinc/48/16/51/565481651.db2.gz KZNQRBVRQWOKTB-MEDUHNTESA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc([C@@H]4C[C@@]45CCOC5)n3)n2)c1 ZINC000377462959 565481660 /nfs/dbraw/zinc/48/16/60/565481660.db2.gz KZNQRBVRQWOKTB-MEDUHNTESA-N -1 3 388.225 3.178 20 0 GGADHM Brc1cccc(-c2nc(-c3noc([C@@H]4C[C@@]45CCOC5)n3)n[n-]2)c1 ZINC000377462959 565481662 /nfs/dbraw/zinc/48/16/62/565481662.db2.gz KZNQRBVRQWOKTB-MEDUHNTESA-N -1 3 388.225 3.178 20 0 GGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000172367592 565481728 /nfs/dbraw/zinc/48/17/28/565481728.db2.gz BOTZNNROJRUQBU-OAHLLOKOSA-N -1 3 382.869 3.235 20 0 GGADHM O=[S@@](Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1)C1CCCCC1 ZINC000172370057 565481854 /nfs/dbraw/zinc/48/18/54/565481854.db2.gz AGEMWTZWIHWVDS-XDHUDOTRSA-N -1 3 385.551 3.189 20 0 GGADHM COc1cccc(C[C@H](NCc2cc(OC)ccc2Br)C(=O)[O-])c1 ZINC000277220435 565483306 /nfs/dbraw/zinc/48/33/06/565483306.db2.gz HWMPMHXVFQAZQH-KRWDZBQOSA-N -1 3 394.265 3.252 20 0 GGADHM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000189730886 565484440 /nfs/dbraw/zinc/48/44/40/565484440.db2.gz WJKLGWACNQHTAH-UHFFFAOYSA-N -1 3 398.815 3.494 20 0 GGADHM Cn1ncc(Cl)c1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000189732458 565484520 /nfs/dbraw/zinc/48/45/20/565484520.db2.gz MYALJOHQXCHWSK-UHFFFAOYSA-N -1 3 383.279 3.283 20 0 GGADHM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000189731159 565484549 /nfs/dbraw/zinc/48/45/49/565484549.db2.gz ZDAARBUHQDSYDG-UHFFFAOYSA-N -1 3 398.815 3.494 20 0 GGADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(Cl)cc1Br ZINC000277257976 565484561 /nfs/dbraw/zinc/48/45/61/565484561.db2.gz KKZKOEYAPPBMJR-AWEZNQCLSA-N -1 3 375.694 3.131 20 0 GGADHM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1cc(Br)cc2c1OCC2 ZINC000277245798 565484938 /nfs/dbraw/zinc/48/49/38/565484938.db2.gz JOBCHINYFDLETE-MRXNPFEDSA-N -1 3 394.240 3.309 20 0 GGADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000189750046 565485736 /nfs/dbraw/zinc/48/57/36/565485736.db2.gz GJZKZYCWUOASDL-QMMMGPOBSA-N -1 3 399.163 3.437 20 0 GGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000189750046 565485739 /nfs/dbraw/zinc/48/57/39/565485739.db2.gz GJZKZYCWUOASDL-QMMMGPOBSA-N -1 3 399.163 3.437 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1ccccc1 ZINC000189742740 565485868 /nfs/dbraw/zinc/48/58/68/565485868.db2.gz VHPBNRAJVKSDRU-INIZCTEOSA-N -1 3 381.519 3.293 20 0 GGADHM COc1c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c(C)nn1C ZINC000189812866 565489911 /nfs/dbraw/zinc/48/99/11/565489911.db2.gz TVINCKLSFJPPOM-UHFFFAOYSA-N -1 3 377.857 3.085 20 0 GGADHM CSc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000172582975 565492830 /nfs/dbraw/zinc/49/28/30/565492830.db2.gz APQHHCHQXNNNSD-UHFFFAOYSA-N -1 3 380.466 3.241 20 0 GGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1sccc1Br ZINC000277410459 565494877 /nfs/dbraw/zinc/49/48/77/565494877.db2.gz SLDOKUHLJVKMRL-NSHDSACASA-N -1 3 384.251 3.025 20 0 GGADHM COc1cccc(C[C@@H](NCc2cccc(Br)c2OC)C(=O)[O-])c1 ZINC000277498305 565500801 /nfs/dbraw/zinc/50/08/01/565500801.db2.gz XMYIPVCGKNNOQI-MRXNPFEDSA-N -1 3 394.265 3.252 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000190030614 565503217 /nfs/dbraw/zinc/50/32/17/565503217.db2.gz SZGDHCSFIOFTGM-ZDUSSCGKSA-N -1 3 385.894 3.462 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000190033954 565503268 /nfs/dbraw/zinc/50/32/68/565503268.db2.gz XJTZAYPGBOLBDV-UHFFFAOYSA-N -1 3 375.471 3.475 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000190094907 565507683 /nfs/dbraw/zinc/50/76/83/565507683.db2.gz SLYJBCQOQHXWDC-UHFFFAOYSA-N -1 3 386.520 3.047 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)SCC(=O)N2 ZINC000378022280 565509149 /nfs/dbraw/zinc/50/91/49/565509149.db2.gz AWNAZODHHCKLNY-UHFFFAOYSA-N -1 3 393.262 3.129 20 0 GGADHM O=S(=O)([N-]CCNc1nc(-c2ccc(F)cc2)cs1)c1cccs1 ZINC000301758018 565509231 /nfs/dbraw/zinc/50/92/31/565509231.db2.gz FCJYUENWQQJMAV-UHFFFAOYSA-N -1 3 383.495 3.401 20 0 GGADHM O=S(=O)([N-]CCNc1ncnc2sc3c(c21)CCCC3)c1cccs1 ZINC000301772800 565509746 /nfs/dbraw/zinc/50/97/46/565509746.db2.gz KDODCGQGBBLQNB-UHFFFAOYSA-N -1 3 394.547 3.022 20 0 GGADHM O=S(=O)([N-]CCNc1ccnc2cc(F)ccc21)c1ccc(Cl)s1 ZINC000301787301 565510728 /nfs/dbraw/zinc/51/07/28/565510728.db2.gz LSKIFFRTMAMFEX-UHFFFAOYSA-N -1 3 385.873 3.479 20 0 GGADHM C[S@](=O)c1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)cc1 ZINC000190151100 565511907 /nfs/dbraw/zinc/51/19/07/565511907.db2.gz KJLJGDBXVXQBQF-DEOSSOPVSA-N -1 3 379.894 3.459 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000190152699 565512361 /nfs/dbraw/zinc/51/23/61/565512361.db2.gz XQRIRFUVXOBJJH-NSHDSACASA-N -1 3 386.520 3.038 20 0 GGADHM COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1ccccc1[O-] ZINC000190167374 565513275 /nfs/dbraw/zinc/51/32/75/565513275.db2.gz HOXMGSHZZSCZRO-UHFFFAOYSA-N -1 3 392.249 3.360 20 0 GGADHM COCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000277664228 565513713 /nfs/dbraw/zinc/51/37/13/565513713.db2.gz NGLXOANOSHKYMJ-UHFFFAOYSA-N -1 3 379.865 3.459 20 0 GGADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000172979004 565516986 /nfs/dbraw/zinc/51/69/86/565516986.db2.gz MMEUAYDKKIIYQA-AWEZNQCLSA-N -1 3 390.452 3.281 20 0 GGADHM C[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1C ZINC000173001265 565519340 /nfs/dbraw/zinc/51/93/40/565519340.db2.gz PNLIQSHVUSUDJR-RYUDHWBXSA-N -1 3 393.336 3.309 20 0 GGADHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)OC ZINC000381315204 565541703 /nfs/dbraw/zinc/54/17/03/565541703.db2.gz UYZUWISQYLALOT-NOZJJQNGSA-N -1 3 384.723 3.442 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000173072447 565524728 /nfs/dbraw/zinc/52/47/28/565524728.db2.gz WGCGCMREKJFKKV-AWEZNQCLSA-N -1 3 376.400 3.058 20 0 GGADHM CCOc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1Br ZINC000190359877 565525074 /nfs/dbraw/zinc/52/50/74/565525074.db2.gz KJWAGKUMYVGOOJ-UHFFFAOYSA-N -1 3 398.282 3.214 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000190374299 565526429 /nfs/dbraw/zinc/52/64/29/565526429.db2.gz QLIZOEHRLKIKDD-SECBINFHSA-N -1 3 375.418 3.161 20 0 GGADHM O=S(=O)([N-]Cc1cccc(OCC(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000173098992 565527233 /nfs/dbraw/zinc/52/72/33/565527233.db2.gz MDAFBYZZPAQLPE-UHFFFAOYSA-N -1 3 381.322 3.226 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(-c3nnc(SC)s3)no2)cc1 ZINC000277923755 565528925 /nfs/dbraw/zinc/52/89/25/565528925.db2.gz JOYUSFJCDRUKSC-UHFFFAOYSA-N -1 3 397.507 3.129 20 0 GGADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000190422649 565531014 /nfs/dbraw/zinc/53/10/14/565531014.db2.gz IPGZDRZJYWNBGZ-UHFFFAOYSA-N -1 3 384.738 3.128 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cocn3)no2)ccc1Cl ZINC000277961156 565531575 /nfs/dbraw/zinc/53/15/75/565531575.db2.gz RTHNQJGWGUIEFC-UHFFFAOYSA-N -1 3 382.829 3.122 20 0 GGADHM COc1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([O-])c1 ZINC000190440778 565532116 /nfs/dbraw/zinc/53/21/16/565532116.db2.gz ALXARUJDTLVBDR-DLBZAZTESA-N -1 3 382.243 3.438 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000190450461 565533490 /nfs/dbraw/zinc/53/34/90/565533490.db2.gz INZJNTOFEAZPOT-LBPRGKRZSA-N -1 3 387.860 3.371 20 0 GGADHM O=S(=O)([N-]c1c(F)cc(Br)cc1F)c1cn2c(n1)CCCC2 ZINC000378604521 565534897 /nfs/dbraw/zinc/53/48/97/565534897.db2.gz HDHWUHMPXZXCQS-UHFFFAOYSA-N -1 3 392.225 3.061 20 0 GGADHM O=S(=O)([N-]CCc1cccnc1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190495172 565535648 /nfs/dbraw/zinc/53/56/48/565535648.db2.gz ZCLNKFMMUVDGPQ-UHFFFAOYSA-N -1 3 380.897 3.435 20 0 GGADHM CC(C)(c1noc(Cn2cc(Br)c(=O)[n-]c2=O)n1)C1CCCCC1 ZINC000278057938 565536610 /nfs/dbraw/zinc/53/66/10/565536610.db2.gz VMTYRZDVSKRJGC-UHFFFAOYSA-N -1 3 397.273 3.001 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCCO1 ZINC000379225188 565538060 /nfs/dbraw/zinc/53/80/60/565538060.db2.gz LVBQFQFBDMFLHY-JOYOIKCWSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-]CCCn1cccn1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190509198 565538293 /nfs/dbraw/zinc/53/82/93/565538293.db2.gz OCYBISIHBZSANX-UHFFFAOYSA-N -1 3 383.901 3.084 20 0 GGADHM CO[C@@H](CNCc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000378803040 565538560 /nfs/dbraw/zinc/53/85/60/565538560.db2.gz VHUNVEZSROTVOV-LBPRGKRZSA-N -1 3 379.092 3.432 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000380629402 565539688 /nfs/dbraw/zinc/53/96/88/565539688.db2.gz KNRWMTLFQNFUFB-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000278106291 565539991 /nfs/dbraw/zinc/53/99/91/565539991.db2.gz ATALTHUOYGIXBY-UHFFFAOYSA-N -1 3 380.214 3.360 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2SCCc3sccc32)ccc1F ZINC000173251996 565540643 /nfs/dbraw/zinc/54/06/43/565540643.db2.gz UUCLLPBDVRWXMU-AWEZNQCLSA-N -1 3 386.495 3.228 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000381227732 565541244 /nfs/dbraw/zinc/54/12/44/565541244.db2.gz XJFFCXHFERMYPM-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCCO1 ZINC000381804383 565541384 /nfs/dbraw/zinc/54/13/84/565541384.db2.gz QQTSOTYWHSQBRG-BXKDBHETSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCCO1 ZINC000381804385 565541586 /nfs/dbraw/zinc/54/15/86/565541586.db2.gz QQTSOTYWHSQBRG-JOYOIKCWSA-N -1 3 382.707 3.338 20 0 GGADHM COCCSCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000278169349 565542962 /nfs/dbraw/zinc/54/29/62/565542962.db2.gz AZLFQJFLHJUXCS-UHFFFAOYSA-N -1 3 376.507 3.383 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000190574973 565543357 /nfs/dbraw/zinc/54/33/57/565543357.db2.gz DCZPIOXESPMRAZ-UHFFFAOYSA-N -1 3 387.860 3.025 20 0 GGADHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1ccc(Br)cc1Cl ZINC000386163579 565546472 /nfs/dbraw/zinc/54/64/72/565546472.db2.gz LLNNZDWVDYWHRU-ZDUSSCGKSA-N -1 3 396.734 3.322 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)c1nc(C)cs1 ZINC000190625686 565547382 /nfs/dbraw/zinc/54/73/82/565547382.db2.gz CYCSHRKYRVJAPH-CYBMUJFWSA-N -1 3 388.486 3.045 20 0 GGADHM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190688123 565551902 /nfs/dbraw/zinc/55/19/02/565551902.db2.gz KHJTVDOKQWUEOX-UHFFFAOYSA-N -1 3 393.665 3.424 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333933 565551994 /nfs/dbraw/zinc/55/19/94/565551994.db2.gz YHJNZJFYIYQTCE-UOXLDJKESA-N -1 3 376.400 3.111 20 0 GGADHM CCC1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCOCC1 ZINC000389256649 565552889 /nfs/dbraw/zinc/55/28/89/565552889.db2.gz HKNHPRHKMABJRK-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCOC1 ZINC000389195230 565553640 /nfs/dbraw/zinc/55/36/40/565553640.db2.gz OJVAFQGJTWUBIO-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)c1nc(C)cs1 ZINC000173377279 565554192 /nfs/dbraw/zinc/55/41/92/565554192.db2.gz LOTQWZKNUMYGNZ-QGZVFWFLSA-N -1 3 382.507 3.150 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302739267 565554642 /nfs/dbraw/zinc/55/46/42/565554642.db2.gz PZNKKERYCBQYCK-UHFFFAOYSA-N -1 3 396.672 3.166 20 0 GGADHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000390358066 565556164 /nfs/dbraw/zinc/55/61/64/565556164.db2.gz JEVABRSWDHJEGI-CYBMUJFWSA-N -1 3 399.310 3.118 20 0 GGADHM O=C([O-])[C@H]1Cc2ccccc2CN1CCOc1ccc(Br)cc1 ZINC000390690053 565558145 /nfs/dbraw/zinc/55/81/45/565558145.db2.gz PENKICWHCDTADX-QGZVFWFLSA-N -1 3 376.250 3.339 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000190807151 565561073 /nfs/dbraw/zinc/56/10/73/565561073.db2.gz KXBRGYDMSUYKNN-SAZUREKKSA-N -1 3 387.929 3.348 20 0 GGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000173487603 565561111 /nfs/dbraw/zinc/56/11/11/565561111.db2.gz PLGWULABMZJIRH-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000173487603 565561113 /nfs/dbraw/zinc/56/11/13/565561113.db2.gz PLGWULABMZJIRH-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000173487603 565561117 /nfs/dbraw/zinc/56/11/17/565561117.db2.gz PLGWULABMZJIRH-SECBINFHSA-N -1 3 377.198 3.233 20 0 GGADHM CC(C)Nc1ccc(F)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000173516005 565563692 /nfs/dbraw/zinc/56/36/92/565563692.db2.gz JNXHWVWQCPFTRF-LLVKDONJSA-N -1 3 385.486 3.013 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)C ZINC000173522635 565563751 /nfs/dbraw/zinc/56/37/51/565563751.db2.gz GGVPJCLTSSDDGK-HNNXBMFYSA-N -1 3 394.896 3.167 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1ccc(Br)s1 ZINC000173535824 565564393 /nfs/dbraw/zinc/56/43/93/565564393.db2.gz QIEVPBATWNUJTK-GHMZBOCLSA-N -1 3 390.328 3.169 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(Cl)c(C)c1 ZINC000190861691 565564983 /nfs/dbraw/zinc/56/49/83/565564983.db2.gz BBTRKEVWIFHSNI-UHFFFAOYSA-N -1 3 387.860 3.291 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1cc(F)cc(F)c1 ZINC000303027491 565566420 /nfs/dbraw/zinc/56/64/20/565566420.db2.gz WFGRSRSMPBNOCP-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 ZINC000190873505 565567356 /nfs/dbraw/zinc/56/73/56/565567356.db2.gz PJHMIHPHCIZLSU-HNNXBMFYSA-N -1 3 375.849 3.442 20 0 GGADHM CN(CCC1CCCCC1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303110013 565567545 /nfs/dbraw/zinc/56/75/45/565567545.db2.gz KAYIGMFXSYMXNX-UHFFFAOYSA-N -1 3 378.947 3.109 20 0 GGADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2ncc(C)s2)c(C)c1Cl ZINC000278587135 565567655 /nfs/dbraw/zinc/56/76/55/565567655.db2.gz AHFMUORLGYPGEA-MRVPVSSYSA-N -1 3 394.927 3.301 20 0 GGADHM Cc1cccc(C(=O)NCCCNC(=O)c2cccc(Br)c2)c1[O-] ZINC000303118424 565567727 /nfs/dbraw/zinc/56/77/27/565567727.db2.gz MMABFSJBRZHYKO-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000190888289 565568140 /nfs/dbraw/zinc/56/81/40/565568140.db2.gz MERPKRDGAUEYGW-UHFFFAOYSA-N -1 3 391.823 3.122 20 0 GGADHM CC[C@H](C)[C@H](C)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000303175880 565568172 /nfs/dbraw/zinc/56/81/72/565568172.db2.gz CCKOPSFBRILWJN-QWRGUYRKSA-N -1 3 378.947 3.105 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1Cl ZINC000278597050 565568323 /nfs/dbraw/zinc/56/83/23/565568323.db2.gz FPGGJPKGTYIIMM-HSZRJFAPSA-N -1 3 387.910 3.336 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Cl ZINC000303181559 565568711 /nfs/dbraw/zinc/56/87/11/565568711.db2.gz KJSNSNIREPWYHH-MRXNPFEDSA-N -1 3 382.888 3.422 20 0 GGADHM COc1cc(CNC(=O)c2cccc(C)c2[O-])cc(Br)c1OC ZINC000303159449 565568756 /nfs/dbraw/zinc/56/87/56/565568756.db2.gz WZJBZYGGOCCXSA-UHFFFAOYSA-N -1 3 380.238 3.410 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCCC1CCCCC1 ZINC000303162333 565568839 /nfs/dbraw/zinc/56/88/39/565568839.db2.gz XMJYIPIUHJWJET-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000303200413 565568868 /nfs/dbraw/zinc/56/88/68/565568868.db2.gz OBJFTMHLIOVDNM-UHFFFAOYSA-N -1 3 377.359 3.374 20 0 GGADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c([O-])c1 ZINC000303448979 565570351 /nfs/dbraw/zinc/57/03/51/565570351.db2.gz DNQDPWYOVDYLRZ-ZDUSSCGKSA-N -1 3 375.266 3.472 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000303482027 565571265 /nfs/dbraw/zinc/57/12/65/565571265.db2.gz JGSNJRIIVZWHQJ-INIZCTEOSA-N -1 3 380.535 3.238 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCC)CC2CC2)cc1 ZINC000303774593 565573520 /nfs/dbraw/zinc/57/35/20/565573520.db2.gz HQTPCOKXPMLTPX-UHFFFAOYSA-N -1 3 388.555 3.039 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(F)(F)F ZINC000396914423 565574903 /nfs/dbraw/zinc/57/49/03/565574903.db2.gz KBFTVMBWKKZRBX-SSDOTTSWSA-N -1 3 378.185 3.455 20 0 GGADHM CC1CCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000303832429 565575416 /nfs/dbraw/zinc/57/54/16/565575416.db2.gz OWUMBYIIUQLZEZ-UHFFFAOYSA-N -1 3 384.851 3.369 20 0 GGADHM Cc1ccc(Br)cc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000191072617 565580738 /nfs/dbraw/zinc/58/07/38/565580738.db2.gz QHEHNRDXJGUCFR-UHFFFAOYSA-N -1 3 392.297 3.377 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000312717052 565581815 /nfs/dbraw/zinc/58/18/15/565581815.db2.gz DOQXSZFSYMKILG-UHFFFAOYSA-N -1 3 398.264 3.459 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCSCC2)C1 ZINC000278859505 565582222 /nfs/dbraw/zinc/58/22/22/565582222.db2.gz UEFTZCDGPZRTSU-CYBMUJFWSA-N -1 3 391.942 3.072 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000313059197 565583332 /nfs/dbraw/zinc/58/33/32/565583332.db2.gz TXTBPRGEWUXHNS-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C[C@@H](O)c1cccs1 ZINC000278899331 565584327 /nfs/dbraw/zinc/58/43/27/565584327.db2.gz YGFYDNCQTFFOJO-ZYHUDNBSSA-N -1 3 375.899 3.201 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)sc1Br ZINC000313830499 565584688 /nfs/dbraw/zinc/58/46/88/565584688.db2.gz NQMQWWGBXLSDOR-UHFFFAOYSA-N -1 3 375.313 3.309 20 0 GGADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000191175846 565586271 /nfs/dbraw/zinc/58/62/71/565586271.db2.gz SPTMTTNVNPIEBQ-UHFFFAOYSA-N -1 3 380.853 3.045 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)o1 ZINC000314725421 565587135 /nfs/dbraw/zinc/58/71/35/565587135.db2.gz JPBQJYBZYRHYEC-UHFFFAOYSA-N -1 3 393.690 3.440 20 0 GGADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1ccc(Br)o1 ZINC000173801468 565587538 /nfs/dbraw/zinc/58/75/38/565587538.db2.gz UXXGDXSCUZTDPB-UHFFFAOYSA-N -1 3 378.631 3.351 20 0 GGADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1cncc(Br)c1 ZINC000314814873 565588710 /nfs/dbraw/zinc/58/87/10/565588710.db2.gz NZOXKMZTXXOZRF-UHFFFAOYSA-N -1 3 395.200 3.341 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000173805358 565588685 /nfs/dbraw/zinc/58/86/85/565588685.db2.gz ALMCEAQUHOXVON-LLVKDONJSA-N -1 3 394.287 3.316 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000314930671 565589264 /nfs/dbraw/zinc/58/92/64/565589264.db2.gz NRSXERHLXSTBMC-UHFFFAOYSA-N -1 3 380.279 3.216 20 0 GGADHM C[C@@H]1OCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H]1C ZINC000407996235 565589868 /nfs/dbraw/zinc/58/98/68/565589868.db2.gz PRKNDZQCOLPFST-IUCAKERBSA-N -1 3 399.672 3.193 20 0 GGADHM C[C@@H]1OCCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])[C@H]1C ZINC000407996235 565589873 /nfs/dbraw/zinc/58/98/73/565589873.db2.gz PRKNDZQCOLPFST-IUCAKERBSA-N -1 3 399.672 3.193 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000191230317 565590132 /nfs/dbraw/zinc/59/01/32/565590132.db2.gz AUELTBRYBYAXOP-UHFFFAOYSA-N -1 3 378.837 3.228 20 0 GGADHM [O-]c1cccc(CNCCCn2cc(Br)cn2)c1Br ZINC000315767312 565590519 /nfs/dbraw/zinc/59/05/19/565590519.db2.gz UQWUQQLOUYTRHY-UHFFFAOYSA-N -1 3 389.091 3.294 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(F)c1Br ZINC000317005020 565593071 /nfs/dbraw/zinc/59/30/71/565593071.db2.gz PAVKLLWGGQOUPR-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM Cc1sc(CC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)nc1C(C)C ZINC000279106488 565595811 /nfs/dbraw/zinc/59/58/11/565595811.db2.gz ULDUWNCPIWHKSL-UHFFFAOYSA-N -1 3 381.523 3.436 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@@H]2CCO[C@@H]21 ZINC000408181292 565597940 /nfs/dbraw/zinc/59/79/40/565597940.db2.gz BKJBLXAIFAAMKD-BIMULSAOSA-N -1 3 394.718 3.194 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)[C@H]2CCO[C@H]21 ZINC000408181294 565598094 /nfs/dbraw/zinc/59/80/94/565598094.db2.gz BKJBLXAIFAAMKD-OASPWFOLSA-N -1 3 394.718 3.194 20 0 GGADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000173972999 565602832 /nfs/dbraw/zinc/60/28/32/565602832.db2.gz QWALGUFYPLEVTF-UHFFFAOYSA-N -1 3 380.491 3.338 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000173970902 565602926 /nfs/dbraw/zinc/60/29/26/565602926.db2.gz NPDAUWAZQJLFOJ-LBPRGKRZSA-N -1 3 382.869 3.426 20 0 GGADHM O=S(=O)([N-]Cc1nccn1C(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000173964843 565603010 /nfs/dbraw/zinc/60/30/10/565603010.db2.gz VBTSDXXOVKVCHW-UHFFFAOYSA-N -1 3 389.733 3.429 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000173975300 565603253 /nfs/dbraw/zinc/60/32/53/565603253.db2.gz RUTZAROAICTBGZ-UHFFFAOYSA-N -1 3 382.869 3.346 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000173978078 565604084 /nfs/dbraw/zinc/60/40/84/565604084.db2.gz BHBBPTQMCPVEQP-UHFFFAOYSA-N -1 3 381.523 3.302 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000173981451 565604438 /nfs/dbraw/zinc/60/44/38/565604438.db2.gz GNAZPBLAZSXCAU-UHFFFAOYSA-N -1 3 381.807 3.188 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000173982219 565604466 /nfs/dbraw/zinc/60/44/66/565604466.db2.gz MDYPLNTVDSLRIT-UHFFFAOYSA-N -1 3 382.869 3.428 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000173980365 565604529 /nfs/dbraw/zinc/60/45/29/565604529.db2.gz PBFYMQOKXOESTH-UHFFFAOYSA-N -1 3 381.807 3.188 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000173992222 565605758 /nfs/dbraw/zinc/60/57/58/565605758.db2.gz YMFAJSTYQVZFEZ-UHFFFAOYSA-N -1 3 382.291 3.375 20 0 GGADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCO1 ZINC000408387040 565607594 /nfs/dbraw/zinc/60/75/94/565607594.db2.gz VTGOTLQWRYENAU-VIFPVBQESA-N -1 3 399.672 3.195 20 0 GGADHM C[C@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCCO1 ZINC000408387040 565607599 /nfs/dbraw/zinc/60/75/99/565607599.db2.gz VTGOTLQWRYENAU-VIFPVBQESA-N -1 3 399.672 3.195 20 0 GGADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1ccc(Cl)s1 ZINC000174032735 565607808 /nfs/dbraw/zinc/60/78/08/565607808.db2.gz SKCYSMIGRYXWGL-UHFFFAOYSA-N -1 3 376.834 3.398 20 0 GGADHM CCSCC[C@@H](C)N(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000174035254 565609418 /nfs/dbraw/zinc/60/94/18/565609418.db2.gz MGBXIVYRWAWLJN-SNVBAGLBSA-N -1 3 383.539 3.043 20 0 GGADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000174072409 565610014 /nfs/dbraw/zinc/61/00/14/565610014.db2.gz GNNLZFILZRQGCD-SECBINFHSA-N -1 3 382.910 3.248 20 0 GGADHM O=C([O-])c1ccccc1CCNCc1cc(Br)cc2c1OCC2 ZINC000322737825 565610083 /nfs/dbraw/zinc/61/00/83/565610083.db2.gz ZLOZRQCVVGLDSD-UHFFFAOYSA-N -1 3 376.250 3.415 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1nc(C2CCCCC2)no1 ZINC000174066482 565610333 /nfs/dbraw/zinc/61/03/33/565610333.db2.gz SGDNKFFTEALWAK-LLVKDONJSA-N -1 3 384.889 3.346 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000322558981 565610404 /nfs/dbraw/zinc/61/04/04/565610404.db2.gz INAYSAFGKOWFSN-UHFFFAOYSA-N -1 3 375.277 3.297 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2csc3ccccc23)c1 ZINC000409473260 565617074 /nfs/dbraw/zinc/61/70/74/565617074.db2.gz CAJWWHMVXVJWLO-UHFFFAOYSA-N -1 3 381.500 3.270 20 0 GGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)C1(c2cncc(Br)c2)CC1 ZINC000409466051 565617193 /nfs/dbraw/zinc/61/71/93/565617193.db2.gz RCZOATPMFPITTC-UHFFFAOYSA-N -1 3 383.249 3.326 20 0 GGADHM C[C@@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303008 565617448 /nfs/dbraw/zinc/61/74/48/565617448.db2.gz WOBUJCRMWUHCKB-CZUORRHYSA-N -1 3 397.313 3.346 20 0 GGADHM C[C@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303006 565618172 /nfs/dbraw/zinc/61/81/72/565618172.db2.gz WOBUJCRMWUHCKB-BBRMVZONSA-N -1 3 397.313 3.346 20 0 GGADHM Cc1ccc(CCS(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000409481867 565618481 /nfs/dbraw/zinc/61/84/81/565618481.db2.gz BNCYUGGDYGIRFC-UHFFFAOYSA-N -1 3 384.295 3.125 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC ZINC000325087271 565620237 /nfs/dbraw/zinc/62/02/37/565620237.db2.gz IUXZROWXJSLVDE-ZDUSSCGKSA-N -1 3 387.807 3.369 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC(C)(C)C ZINC000325785410 565622447 /nfs/dbraw/zinc/62/24/47/565622447.db2.gz KNLWWVOKAMKFRY-QMMMGPOBSA-N -1 3 387.807 3.367 20 0 GGADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)c(=O)[nH]1 ZINC000409542118 565623123 /nfs/dbraw/zinc/62/31/23/565623123.db2.gz CSGXRODFRQKULF-UHFFFAOYSA-N -1 3 392.188 3.035 20 0 GGADHM O=C(COc1ccccc1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409543432 565623561 /nfs/dbraw/zinc/62/35/61/565623561.db2.gz GSJSTEDGTFVHDM-UHFFFAOYSA-N -1 3 391.200 3.391 20 0 GGADHM Cc1nn(C)c(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)c1Br ZINC000279641186 565624573 /nfs/dbraw/zinc/62/45/73/565624573.db2.gz VTUFYLDNQBHFQZ-CYBMUJFWSA-N -1 3 390.241 3.162 20 0 GGADHM Cc1nn(C)c(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)c1Br ZINC000279641188 565624626 /nfs/dbraw/zinc/62/46/26/565624626.db2.gz VTUFYLDNQBHFQZ-ZDUSSCGKSA-N -1 3 390.241 3.162 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000327046361 565627467 /nfs/dbraw/zinc/62/74/67/565627467.db2.gz OMNMOWBSQAXJQP-CYBMUJFWSA-N -1 3 381.416 3.350 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000174325897 565629119 /nfs/dbraw/zinc/62/91/19/565629119.db2.gz QTLPNHUQVFPKCS-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000174325551 565629680 /nfs/dbraw/zinc/62/96/80/565629680.db2.gz ZUUHGAGVGDDLKK-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000174325695 565629748 /nfs/dbraw/zinc/62/97/48/565629748.db2.gz YXNGFPPLGZRERZ-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000327553233 565632234 /nfs/dbraw/zinc/63/22/34/565632234.db2.gz VEPPHDCEVFCDPM-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM CC[C@@H]1CCCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000279807907 565634879 /nfs/dbraw/zinc/63/48/79/565634879.db2.gz FLQZBEDKIXHSDQ-GDBMZVCRSA-N -1 3 384.567 3.234 20 0 GGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cn2)cc(OC)c1[O-] ZINC000279816123 565635188 /nfs/dbraw/zinc/63/51/88/565635188.db2.gz AAGDGXCOEMQGME-VIFPVBQESA-N -1 3 381.226 3.058 20 0 GGADHM CC[C@H]1CCCC[C@@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000279807910 565635396 /nfs/dbraw/zinc/63/53/96/565635396.db2.gz FLQZBEDKIXHSDQ-HOCLYGCPSA-N -1 3 384.567 3.234 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000328680116 565638424 /nfs/dbraw/zinc/63/84/24/565638424.db2.gz NMTQUFFLPGCJOE-YUSALJHKSA-N -1 3 392.340 3.055 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2nccn2Cc2ccccc2)sc1Cl ZINC000191870587 565638989 /nfs/dbraw/zinc/63/89/89/565638989.db2.gz VLJMWKWHYDQTKK-UHFFFAOYSA-N -1 3 395.937 3.476 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(Cn3ccnc3)c2)sc1Cl ZINC000191877864 565639148 /nfs/dbraw/zinc/63/91/48/565639148.db2.gz QTPCLLHIRVYXFL-UHFFFAOYSA-N -1 3 381.910 3.433 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000174485880 565639804 /nfs/dbraw/zinc/63/98/04/565639804.db2.gz DWJRNCFGWBFHEK-SNVBAGLBSA-N -1 3 399.925 3.281 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CN2CCCC2=O)c2ccccc2)sc1Cl ZINC000191895353 565640482 /nfs/dbraw/zinc/64/04/82/565640482.db2.gz SGMBIASJCWIYCW-AWEZNQCLSA-N -1 3 398.937 3.352 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cccc(Br)c1F ZINC000328805589 565641613 /nfs/dbraw/zinc/64/16/13/565641613.db2.gz LTGFUAKXOLKEPN-CYBMUJFWSA-N -1 3 392.290 3.216 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(Br)c(F)c1 ZINC000328807391 565642083 /nfs/dbraw/zinc/64/20/83/565642083.db2.gz MCEYSEOKRQZCAT-AWEZNQCLSA-N -1 3 392.290 3.216 20 0 GGADHM O=S(=O)([N-][C@H]1COc2cc(F)c(Br)cc21)c1ccccc1F ZINC000409815199 565642263 /nfs/dbraw/zinc/64/22/63/565642263.db2.gz ZLBYWOFLWNSRCQ-LBPRGKRZSA-N -1 3 390.205 3.139 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000409824106 565642360 /nfs/dbraw/zinc/64/23/60/565642360.db2.gz ZPZRIOAGFAOUTN-MRXNPFEDSA-N -1 3 386.926 3.093 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(=O)Nc2cccc3cccnc32)sc1Cl ZINC000191923117 565642994 /nfs/dbraw/zinc/64/29/94/565642994.db2.gz RAQAZTZNFBMOSG-UHFFFAOYSA-N -1 3 395.893 3.175 20 0 GGADHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000191923083 565643079 /nfs/dbraw/zinc/64/30/79/565643079.db2.gz GEWYHTXSVIQCOV-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)[C@H]1c1cccs1 ZINC000328876226 565646082 /nfs/dbraw/zinc/64/60/82/565646082.db2.gz ZRKOZHPPMSQQKB-WBMJQRKESA-N -1 3 385.942 3.158 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCC[C@@H](C(F)(F)F)C3)cnc2c1Cl ZINC000328880534 565646119 /nfs/dbraw/zinc/64/61/19/565646119.db2.gz KRQOVDMFEUTGAL-NXEZZACHSA-N -1 3 396.822 3.091 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCC[C@H](C(F)(F)F)C3)cnc2c1Cl ZINC000328880537 565646262 /nfs/dbraw/zinc/64/62/62/565646262.db2.gz KRQOVDMFEUTGAL-VHSXEESVSA-N -1 3 396.822 3.091 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000174610334 565646693 /nfs/dbraw/zinc/64/66/93/565646693.db2.gz QODVQIGJXVJYDZ-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM O=C(N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000328969354 565648210 /nfs/dbraw/zinc/64/82/10/565648210.db2.gz ULTHCYFMIRICSD-ZDUSSCGKSA-N -1 3 382.247 3.018 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000191998883 565648580 /nfs/dbraw/zinc/64/85/80/565648580.db2.gz IYDFFCBMGFHQDV-ZDUSSCGKSA-N -1 3 378.866 3.097 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409913457 565648886 /nfs/dbraw/zinc/64/88/86/565648886.db2.gz UCDUUEOUVICJPI-UHFFFAOYSA-N -1 3 381.828 3.230 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cc(Br)cs2)CC1 ZINC000174669565 565651368 /nfs/dbraw/zinc/65/13/68/565651368.db2.gz SDRYZAKIRZYOGK-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000192053911 565652754 /nfs/dbraw/zinc/65/27/54/565652754.db2.gz QOFLAZYGBHQZQX-UHFFFAOYSA-N -1 3 397.287 3.489 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)c1nc(C)cs1 ZINC000329118390 565654368 /nfs/dbraw/zinc/65/43/68/565654368.db2.gz JKFIJVFAQVKQIX-OAHLLOKOSA-N -1 3 399.929 3.060 20 0 GGADHM CCCC(O)(CCC)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000174734061 565655122 /nfs/dbraw/zinc/65/51/22/565655122.db2.gz BDCRBGVEQYNLBT-UHFFFAOYSA-N -1 3 395.297 3.352 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174747038 565656464 /nfs/dbraw/zinc/65/64/64/565656464.db2.gz CUZXCUYUAPPXBY-GFCCVEGCSA-N -1 3 378.475 3.071 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174747047 565656540 /nfs/dbraw/zinc/65/65/40/565656540.db2.gz CUZXCUYUAPPXBY-LBPRGKRZSA-N -1 3 378.475 3.071 20 0 GGADHM Cc1ncncc1C(=O)[N-]c1nnc(-c2cc(Br)ccc2F)s1 ZINC000410029625 565659084 /nfs/dbraw/zinc/65/90/84/565659084.db2.gz VFCRHLQDGUCVPS-UHFFFAOYSA-N -1 3 394.229 3.457 20 0 GGADHM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000280266296 565662700 /nfs/dbraw/zinc/66/27/00/565662700.db2.gz OLANRKSAQLJHCO-LBPRGKRZSA-N -1 3 386.926 3.092 20 0 GGADHM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000329352838 565664316 /nfs/dbraw/zinc/66/43/16/565664316.db2.gz XSXPBQXLQCZBSZ-MRXNPFEDSA-N -1 3 395.297 3.301 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000174888740 565664759 /nfs/dbraw/zinc/66/47/59/565664759.db2.gz KZUBTBSEDCDNME-NSHDSACASA-N -1 3 393.212 3.285 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000174883080 565665092 /nfs/dbraw/zinc/66/50/92/565665092.db2.gz RPDAHBQKOHASEV-ZDUSSCGKSA-N -1 3 393.212 3.285 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCN(c2ccccc2Br)C1=O ZINC000174888724 565665189 /nfs/dbraw/zinc/66/51/89/565665189.db2.gz KZUBTBSEDCDNME-LLVKDONJSA-N -1 3 393.212 3.285 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cc1Cl ZINC000280331778 565665925 /nfs/dbraw/zinc/66/59/25/565665925.db2.gz QMNKMBRRODPUAD-LLVKDONJSA-N -1 3 385.873 3.075 20 0 GGADHM CO[C@](C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1F ZINC000192179143 565665962 /nfs/dbraw/zinc/66/59/62/565665962.db2.gz FQOOIDXKMVQVRQ-KRWDZBQOSA-N -1 3 382.229 3.472 20 0 GGADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329407872 565666148 /nfs/dbraw/zinc/66/61/48/565666148.db2.gz CIDBWFCKGFSKRD-KCJUWKMLSA-N -1 3 388.276 3.077 20 0 GGADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329407874 565666167 /nfs/dbraw/zinc/66/61/67/565666167.db2.gz CIDBWFCKGFSKRD-LDYMZIIASA-N -1 3 388.276 3.077 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000192186178 565666674 /nfs/dbraw/zinc/66/66/74/565666674.db2.gz IAGDHJAJVPIILM-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329455769 565666980 /nfs/dbraw/zinc/66/69/80/565666980.db2.gz PXXIRFVXYCJXAM-MRVPVSSYSA-N -1 3 396.881 3.050 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000410146628 565667156 /nfs/dbraw/zinc/66/71/56/565667156.db2.gz AOLVWQAHAKHXOB-QGZVFWFLSA-N -1 3 381.881 3.025 20 0 GGADHM CC[C@H]1C[C@]1([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1cccc(C)c1 ZINC000410166103 565667997 /nfs/dbraw/zinc/66/79/97/565667997.db2.gz PKWRQYFXWOPFRO-SCLBCKFNSA-N -1 3 379.503 3.447 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000410159882 565668253 /nfs/dbraw/zinc/66/82/53/565668253.db2.gz WKIVYVHGORFGJW-UHFFFAOYSA-N -1 3 380.231 3.410 20 0 GGADHM O=S(=O)([N-]C1CCN([C@@H]2CCc3ccc(F)cc32)CC1)c1cccs1 ZINC000174985540 565671148 /nfs/dbraw/zinc/67/11/48/565671148.db2.gz IZAHOOLEDFQMFX-QGZVFWFLSA-N -1 3 380.510 3.317 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)o1 ZINC000174987708 565671429 /nfs/dbraw/zinc/67/14/29/565671429.db2.gz MBTGNABCUVGHEP-UHFFFAOYSA-N -1 3 382.258 3.004 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2nc(C3CC3)cs2)CC1)c1cccs1 ZINC000329615935 565672310 /nfs/dbraw/zinc/67/23/10/565672310.db2.gz DIEHNKINUJYMER-UHFFFAOYSA-N -1 3 383.564 3.025 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1ccc(Cl)c(Br)c1 ZINC000192230195 565672680 /nfs/dbraw/zinc/67/26/80/565672680.db2.gz MKAOBQHDFICEPL-LBPRGKRZSA-N -1 3 394.674 3.098 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)CSc2n[n-]c(=S)s2)N2CCCC2)o1 ZINC000175095427 565678888 /nfs/dbraw/zinc/67/88/88/565678888.db2.gz BTACLYCXJOSILG-LLVKDONJSA-N -1 3 384.552 3.148 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@]12CCCO2 ZINC000329800295 565680338 /nfs/dbraw/zinc/68/03/38/565680338.db2.gz YFAOQGVHTFNCLL-OAGGEKHMSA-N -1 3 394.320 3.139 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@]12CCCO2 ZINC000329800296 565680931 /nfs/dbraw/zinc/68/09/31/565680931.db2.gz YFAOQGVHTFNCLL-XHSDSOJGSA-N -1 3 394.320 3.139 20 0 GGADHM COC(=O)c1cnc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)s1 ZINC000280577331 565680998 /nfs/dbraw/zinc/68/09/98/565680998.db2.gz SMIJSGUVIMRZRW-UHFFFAOYSA-N -1 3 394.503 3.453 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000410372487 565681221 /nfs/dbraw/zinc/68/12/21/565681221.db2.gz NRIFHEHDPALPHK-UHFFFAOYSA-N -1 3 396.749 3.398 20 0 GGADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(OC)c2)c1 ZINC000410389962 565681945 /nfs/dbraw/zinc/68/19/45/565681945.db2.gz WYQZYEWJEPIYGE-UHFFFAOYSA-N -1 3 383.857 3.283 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC([O-])=NOCCSC)cc1Cl ZINC000280580967 565682610 /nfs/dbraw/zinc/68/26/10/565682610.db2.gz RZUPRGKVJDBMPZ-UHFFFAOYSA-N -1 3 389.905 3.003 20 0 GGADHM CCN(CC)C(=O)COc1ccc(NC(=O)[N-]OCCSC)cc1Cl ZINC000280580967 565682614 /nfs/dbraw/zinc/68/26/14/565682614.db2.gz RZUPRGKVJDBMPZ-UHFFFAOYSA-N -1 3 389.905 3.003 20 0 GGADHM Cc1ncccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000175182123 565683638 /nfs/dbraw/zinc/68/36/38/565683638.db2.gz ZCWGZPDMWDGMKK-UHFFFAOYSA-N -1 3 381.885 3.373 20 0 GGADHM Cc1ncccc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000175186957 565683682 /nfs/dbraw/zinc/68/36/82/565683682.db2.gz ZCDFIHZEMLZOII-UHFFFAOYSA-N -1 3 388.276 3.004 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1C(N)=O ZINC000410419720 565684061 /nfs/dbraw/zinc/68/40/61/565684061.db2.gz QEOAHPBWXACVMB-UHFFFAOYSA-N -1 3 377.224 3.341 20 0 GGADHM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc21 ZINC000410425557 565685873 /nfs/dbraw/zinc/68/58/73/565685873.db2.gz XSXATRRTFIJZKB-UHFFFAOYSA-N -1 3 389.235 3.219 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c1 ZINC000175215817 565686141 /nfs/dbraw/zinc/68/61/41/565686141.db2.gz YMWMYJZYPUSQNQ-SNVBAGLBSA-N -1 3 390.324 3.429 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)sc1Cl ZINC000329940502 565686248 /nfs/dbraw/zinc/68/62/48/565686248.db2.gz UNHKCVSRZFMOIR-LLVKDONJSA-N -1 3 381.972 3.433 20 0 GGADHM C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000329979813 565686805 /nfs/dbraw/zinc/68/68/05/565686805.db2.gz KHJSKESQKYIXTI-LLVKDONJSA-N -1 3 396.310 3.130 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1 ZINC000175232945 565686900 /nfs/dbraw/zinc/68/69/00/565686900.db2.gz PIZWWNHMBSOLBQ-LBPRGKRZSA-N -1 3 382.279 3.076 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C2CCCCC2)s1 ZINC000175259719 565687762 /nfs/dbraw/zinc/68/77/62/565687762.db2.gz JICLRKBCPFSWBT-KBPBESRZSA-N -1 3 386.583 3.310 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCOC2CCCC2)c1 ZINC000175250190 565688037 /nfs/dbraw/zinc/68/80/37/565688037.db2.gz XVVWZHRHUBQRCS-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCN(C(C)C)C3)s2)cs1 ZINC000329992224 565688605 /nfs/dbraw/zinc/68/86/05/565688605.db2.gz KHFQGFDCGCVROJ-CYBMUJFWSA-N -1 3 385.580 3.331 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192423151 565689074 /nfs/dbraw/zinc/68/90/74/565689074.db2.gz KMSZBPSXZVMDGH-UHFFFAOYSA-N -1 3 386.210 3.390 20 0 GGADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000175276407 565690724 /nfs/dbraw/zinc/69/07/24/565690724.db2.gz JMJSXACFXSUDNR-JSGCOSHPSA-N -1 3 394.921 3.390 20 0 GGADHM CCc1cc(=O)[n-]c(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000280744061 565692084 /nfs/dbraw/zinc/69/20/84/565692084.db2.gz MSOQYAGZRZINDV-CYBMUJFWSA-N -1 3 375.778 3.240 20 0 GGADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175317697 565693032 /nfs/dbraw/zinc/69/30/32/565693032.db2.gz WNVBGOLBUZCQMT-SNVBAGLBSA-N -1 3 382.345 3.268 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C)o1 ZINC000175349409 565695165 /nfs/dbraw/zinc/69/51/65/565695165.db2.gz KCUTVQUERBHWAX-CYBMUJFWSA-N -1 3 379.356 3.153 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1ccc(Br)c(F)c1 ZINC000330175818 565695789 /nfs/dbraw/zinc/69/57/89/565695789.db2.gz JLIIXPZKBGGOLG-NSHDSACASA-N -1 3 392.290 3.358 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCN4CCCC[C@@H]34)s2)cs1 ZINC000330160817 565696211 /nfs/dbraw/zinc/69/62/11/565696211.db2.gz RJCCWMWILAPDTM-OCCSQVGLSA-N -1 3 383.564 3.085 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1C)c1ccco1 ZINC000175359848 565696374 /nfs/dbraw/zinc/69/63/74/565696374.db2.gz YMDFYZOXHITGEP-CYBMUJFWSA-N -1 3 388.283 3.325 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1Cl ZINC000330189850 565697074 /nfs/dbraw/zinc/69/70/74/565697074.db2.gz VPVSXMMGMQMDEF-LLVKDONJSA-N -1 3 394.718 3.483 20 0 GGADHM Cc1c(Cl)cccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000192593112 565700105 /nfs/dbraw/zinc/70/01/05/565700105.db2.gz QQUCJMONUDUUHK-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Cl)c(Br)c1 ZINC000330303138 565700970 /nfs/dbraw/zinc/70/09/70/565700970.db2.gz JSYLUJUYGADESD-JTQLQIEISA-N -1 3 394.718 3.483 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000330389614 565704259 /nfs/dbraw/zinc/70/42/59/565704259.db2.gz FCZVMHNRQWUFSK-NEPJUHHUSA-N -1 3 377.915 3.079 20 0 GGADHM C[C@@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(Cl)s1 ZINC000175527635 565704866 /nfs/dbraw/zinc/70/48/66/565704866.db2.gz SATLKZNFUPHDAD-XLFHBGCDSA-N -1 3 377.853 3.198 20 0 GGADHM O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1ccc2n[n-]nc2c1 ZINC000192736564 565707791 /nfs/dbraw/zinc/70/77/91/565707791.db2.gz DQYLWKUCSTUNIR-UHFFFAOYSA-N -1 3 397.236 3.218 20 0 GGADHM CC(C)Cc1nc(C(=O)[N-]c2nc3cc(Br)ccn3n2)cs1 ZINC000411053068 565708418 /nfs/dbraw/zinc/70/84/18/565708418.db2.gz XNTQNCJJVMBPFO-UHFFFAOYSA-N -1 3 380.271 3.399 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c(F)c1 ZINC000192780411 565710459 /nfs/dbraw/zinc/71/04/59/565710459.db2.gz OXPCRRFVWZLGEM-UHFFFAOYSA-N -1 3 377.466 3.272 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000330537626 565710871 /nfs/dbraw/zinc/71/08/71/565710871.db2.gz PYXLHGZMYKDEBR-UHFFFAOYSA-N -1 3 382.707 3.340 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000330552531 565712265 /nfs/dbraw/zinc/71/22/65/565712265.db2.gz XYPSBONAFKHBGC-UHFFFAOYSA-N -1 3 384.242 3.314 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2ncc(C)s2)c1 ZINC000175623345 565712631 /nfs/dbraw/zinc/71/26/31/565712631.db2.gz SXCUYOMCIIEESX-SECBINFHSA-N -1 3 391.312 3.262 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000175645015 565713419 /nfs/dbraw/zinc/71/34/19/565713419.db2.gz XHCMMAXPMJZXNW-FLCAKIMKSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000175645049 565713720 /nfs/dbraw/zinc/71/37/20/565713720.db2.gz XHCMMAXPMJZXNW-HJTOQOCKSA-N -1 3 384.350 3.352 20 0 GGADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000175639088 565713812 /nfs/dbraw/zinc/71/38/12/565713812.db2.gz QJIXJTKGGQSMPW-HJTOQOCKSA-N -1 3 384.350 3.352 20 0 GGADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(Br)ccc1[O-] ZINC000175659891 565714535 /nfs/dbraw/zinc/71/45/35/565714535.db2.gz BZKIUICFYWIEKC-UHFFFAOYSA-N -1 3 383.311 3.420 20 0 GGADHM O=S(=O)([N-]C1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1)c1cccs1 ZINC000411135188 565714632 /nfs/dbraw/zinc/71/46/32/565714632.db2.gz HIEYNTPONLHQCI-IRXDYDNUSA-N -1 3 380.510 3.186 20 0 GGADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000330631721 565715771 /nfs/dbraw/zinc/71/57/71/565715771.db2.gz PXLRFBCBBDLKIX-AAEUAGOBSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000330630641 565715849 /nfs/dbraw/zinc/71/58/49/565715849.db2.gz DGIUJLYFTUPOGQ-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000330631993 565715941 /nfs/dbraw/zinc/71/59/41/565715941.db2.gz GZLWSACMBDBQSS-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000330630639 565715984 /nfs/dbraw/zinc/71/59/84/565715984.db2.gz DGIUJLYFTUPOGQ-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1c(F)cccc1Cl ZINC000175693650 565718470 /nfs/dbraw/zinc/71/84/70/565718470.db2.gz FJKMQACZOAUATH-ZJUUUORDSA-N -1 3 390.889 3.085 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H]1CCO[C@@H]1c1cccnc1 ZINC000281227193 565719071 /nfs/dbraw/zinc/71/90/71/565719071.db2.gz RSZYZHABUZLDII-JKSUJKDBSA-N -1 3 387.288 3.338 20 0 GGADHM O=C([N-]c1ccc(I)cn1)c1c(F)c(F)cc(F)c1F ZINC000175744221 565719902 /nfs/dbraw/zinc/71/99/02/565719902.db2.gz ZRSYUPFUSSJEAE-UHFFFAOYSA-N -1 3 396.081 3.495 20 0 GGADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)CCO1 ZINC000330724434 565720593 /nfs/dbraw/zinc/72/05/93/565720593.db2.gz DFKBELJIXHSBMI-ZIAGYGMSSA-N -1 3 391.331 3.106 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000175736232 565720736 /nfs/dbraw/zinc/72/07/36/565720736.db2.gz GJEOTJMTOPCEGB-JTQLQIEISA-N -1 3 379.507 3.148 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000330739025 565721478 /nfs/dbraw/zinc/72/14/78/565721478.db2.gz ZWXRXXULAMZIBL-UHFFFAOYSA-N -1 3 383.388 3.028 20 0 GGADHM NC(=O)C1CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000330751476 565721802 /nfs/dbraw/zinc/72/18/02/565721802.db2.gz IFQRQKKLOFOJKI-UHFFFAOYSA-N -1 3 395.706 3.475 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c(F)cc1F ZINC000175763617 565722864 /nfs/dbraw/zinc/72/28/64/565722864.db2.gz FFNGEXRETPXEGL-UHFFFAOYSA-N -1 3 375.780 3.499 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCO1 ZINC000330818261 565723882 /nfs/dbraw/zinc/72/38/82/565723882.db2.gz MNISQUATIZRPHU-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(Cl)c1 ZINC000175790866 565723844 /nfs/dbraw/zinc/72/38/44/565723844.db2.gz QFEVHQDPUUYTRP-UHFFFAOYSA-N -1 3 388.823 3.152 20 0 GGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330808546 565724135 /nfs/dbraw/zinc/72/41/35/565724135.db2.gz AQKFJXKUMRLZFK-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1cc(F)ccc1Br ZINC000330835874 565724555 /nfs/dbraw/zinc/72/45/55/565724555.db2.gz IHTLFXFZGONFOW-UHFFFAOYSA-N -1 3 394.306 3.199 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330839457 565725063 /nfs/dbraw/zinc/72/50/63/565725063.db2.gz LTBZJSATXQXTDN-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1F ZINC000193027242 565725745 /nfs/dbraw/zinc/72/57/45/565725745.db2.gz VSBKROUKKVKYGH-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c(C)o1 ZINC000175825003 565725851 /nfs/dbraw/zinc/72/58/51/565725851.db2.gz GUXDDYNLCRJMIR-HNNXBMFYSA-N -1 3 382.869 3.127 20 0 GGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1c[nH]c(=O)c(Br)c1 ZINC000175826134 565726283 /nfs/dbraw/zinc/72/62/83/565726283.db2.gz HIFYQXGLLCHFTQ-UHFFFAOYSA-N -1 3 377.116 3.114 20 0 GGADHM CCn1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1Cl ZINC000175828190 565726426 /nfs/dbraw/zinc/72/64/26/565726426.db2.gz FOGHXCPPROSDNR-UHFFFAOYSA-N -1 3 379.251 3.410 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1C(F)(F)F ZINC000330860860 565726675 /nfs/dbraw/zinc/72/66/75/565726675.db2.gz LEYBZUNXZSFNEN-UHFFFAOYSA-N -1 3 391.333 3.404 20 0 GGADHM C[C@H](CNC(=O)C(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F)C(F)(F)F ZINC000411385484 565727618 /nfs/dbraw/zinc/72/76/18/565727618.db2.gz XIZGKLQXBZZMTJ-XCBNKYQSSA-N -1 3 390.711 3.374 20 0 GGADHM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1cccc(Cl)c1Cl ZINC000281401120 565728409 /nfs/dbraw/zinc/72/84/09/565728409.db2.gz DPFFBXPJLJWWCF-UHFFFAOYSA-N -1 3 392.333 3.397 20 0 GGADHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(Cl)c1 ZINC000175853416 565728544 /nfs/dbraw/zinc/72/85/44/565728544.db2.gz YIPOCZYIPSVJKX-CYBMUJFWSA-N -1 3 391.251 3.028 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000193059529 565729278 /nfs/dbraw/zinc/72/92/78/565729278.db2.gz VMUBWSSDIXDAMS-UHFFFAOYSA-N -1 3 398.937 3.261 20 0 GGADHM C[S@@](=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000175872202 565729924 /nfs/dbraw/zinc/72/99/24/565729924.db2.gz GXPIILUIJJMNEN-OAQYLSRUSA-N -1 3 378.302 3.209 20 0 GGADHM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000175874575 565730922 /nfs/dbraw/zinc/73/09/22/565730922.db2.gz OGAXAFPZGWMIRE-DEOSSOPVSA-N -1 3 395.399 3.060 20 0 GGADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccccc2Br)s1 ZINC000175888868 565732517 /nfs/dbraw/zinc/73/25/17/565732517.db2.gz RZLOMDUGULUHGO-UHFFFAOYSA-N -1 3 375.313 3.428 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)sc1Cl ZINC000281525939 565735707 /nfs/dbraw/zinc/73/57/07/565735707.db2.gz MMLTXDHUFBAAFS-UHFFFAOYSA-N -1 3 377.944 3.114 20 0 GGADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000281546084 565735837 /nfs/dbraw/zinc/73/58/37/565735837.db2.gz SLIMDHNEWWCADD-JTQLQIEISA-N -1 3 384.889 3.214 20 0 GGADHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000175968120 565737013 /nfs/dbraw/zinc/73/70/13/565737013.db2.gz RFWVPIIBSSBNIK-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)s1 ZINC000281603594 565739253 /nfs/dbraw/zinc/73/92/53/565739253.db2.gz YKKIFBHVHPINMC-UHFFFAOYSA-N -1 3 377.894 3.248 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1 ZINC000175994017 565740294 /nfs/dbraw/zinc/74/02/94/565740294.db2.gz IPPWCIKKKQKPJO-NSHDSACASA-N -1 3 382.507 3.099 20 0 GGADHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000331190416 565744431 /nfs/dbraw/zinc/74/44/31/565744431.db2.gz WKLXLGZBUZHTTA-NWDGAFQWSA-N -1 3 377.503 3.186 20 0 GGADHM O=C(CCN1CCC[C@H](c2n[n-]c(=O)o2)C1)Nc1c(Cl)cccc1Cl ZINC000411680812 565744895 /nfs/dbraw/zinc/74/48/95/565744895.db2.gz YBDAHZPQBYBJKB-JTQLQIEISA-N -1 3 385.251 3.290 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2Cl)C(C)C)c(C)o1 ZINC000176086252 565748141 /nfs/dbraw/zinc/74/81/41/565748141.db2.gz WAQOPZAMWJQNGM-INIZCTEOSA-N -1 3 384.885 3.277 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1[C@H](C)O ZINC000281806528 565749474 /nfs/dbraw/zinc/74/94/74/565749474.db2.gz VQRILPZLMAEDLI-JTQLQIEISA-N -1 3 375.277 3.229 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000331264757 565750145 /nfs/dbraw/zinc/75/01/45/565750145.db2.gz GQFVFMGSNCXWEQ-RYUDHWBXSA-N -1 3 377.915 3.079 20 0 GGADHM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000331263280 565750279 /nfs/dbraw/zinc/75/02/79/565750279.db2.gz FIVBFOLNIQDTRI-UHFFFAOYSA-N -1 3 397.241 3.189 20 0 GGADHM C[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000281817010 565750722 /nfs/dbraw/zinc/75/07/22/565750722.db2.gz VEXDBFDNKLSMMG-LLVKDONJSA-N -1 3 376.806 3.361 20 0 GGADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)s1 ZINC000176130078 565752404 /nfs/dbraw/zinc/75/24/04/565752404.db2.gz LBXRGQYITPGLNP-GFCCVEGCSA-N -1 3 378.881 3.195 20 0 GGADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c1 ZINC000193447261 565752987 /nfs/dbraw/zinc/75/29/87/565752987.db2.gz BMBXFTZDACTVGB-UHFFFAOYSA-N -1 3 375.233 3.284 20 0 GGADHM CC1=CCCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000281893801 565753441 /nfs/dbraw/zinc/75/34/41/565753441.db2.gz WLUZWDVUSGCMLG-UHFFFAOYSA-N -1 3 394.212 3.337 20 0 GGADHM C[C@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(Cl)s1 ZINC000176147711 565753467 /nfs/dbraw/zinc/75/34/67/565753467.db2.gz HAKQKKBCGUHGEG-LBPRGKRZSA-N -1 3 378.881 3.195 20 0 GGADHM CCOc1cc(CN2CCC(CC(=O)N(C)C)CC2)cc(Br)c1[O-] ZINC000331323147 565754375 /nfs/dbraw/zinc/75/43/75/565754375.db2.gz FNUWXGOQBDDABX-UHFFFAOYSA-N -1 3 399.329 3.244 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCN(CC(F)(F)F)C1 ZINC000176190061 565755897 /nfs/dbraw/zinc/75/58/97/565755897.db2.gz DFCDZJJFHUNWPW-VIFPVBQESA-N -1 3 381.192 3.368 20 0 GGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176184035 565756126 /nfs/dbraw/zinc/75/61/26/565756126.db2.gz JCSGKDKUXOVZMU-UHFFFAOYSA-N -1 3 377.169 3.388 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2ccc(Cl)s2)ccc1F ZINC000193502601 565756271 /nfs/dbraw/zinc/75/62/71/565756271.db2.gz FXIMITRUJGQQDX-UHFFFAOYSA-N -1 3 376.862 3.483 20 0 GGADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176188877 565756353 /nfs/dbraw/zinc/75/63/53/565756353.db2.gz AOIWFHRLIWXTED-UHFFFAOYSA-N -1 3 377.198 3.104 20 0 GGADHM CCOc1cc(CN2CCN(C(=O)C(C)(C)C)CC2)cc(Br)c1[O-] ZINC000331360318 565756482 /nfs/dbraw/zinc/75/64/82/565756482.db2.gz XRHZMKJDLJLUQB-UHFFFAOYSA-N -1 3 399.329 3.244 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CC1CCC1)c1ccccc1 ZINC000176207747 565756834 /nfs/dbraw/zinc/75/68/34/565756834.db2.gz RTRWMQQIRMURBG-CQSZACIVSA-N -1 3 378.519 3.248 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N(CC1CC1)c1ccccc1 ZINC000176206272 565757250 /nfs/dbraw/zinc/75/72/50/565757250.db2.gz MTCNEHHCXKFFBO-UHFFFAOYSA-N -1 3 384.910 3.123 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@@H](c3cccc(Br)c3)C2)on1 ZINC000331394426 565757492 /nfs/dbraw/zinc/75/74/92/565757492.db2.gz KBAWIVOMNWAJIY-IUODEOHRSA-N -1 3 394.269 3.146 20 0 GGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@@H](c3cccc(Br)c3)C2)on1 ZINC000331394427 565757718 /nfs/dbraw/zinc/75/77/18/565757718.db2.gz KBAWIVOMNWAJIY-SWLSCSKDSA-N -1 3 394.269 3.146 20 0 GGADHM C[C@@](O)(CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000281973313 565758742 /nfs/dbraw/zinc/75/87/42/565758742.db2.gz LIRBGFKKFJQBOC-OAHLLOKOSA-N -1 3 380.794 3.009 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000331446473 565759136 /nfs/dbraw/zinc/75/91/36/565759136.db2.gz DIWBWTGTJLUNQO-GUYCJALGSA-N -1 3 386.876 3.352 20 0 GGADHM CCN(CC(F)F)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000331419365 565760063 /nfs/dbraw/zinc/76/00/63/565760063.db2.gz HMAJRWHMJPKTLZ-UHFFFAOYSA-N -1 3 394.509 3.476 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2Br)no1 ZINC000282005433 565760918 /nfs/dbraw/zinc/76/09/18/565760918.db2.gz VQBTVZGZFOKEPP-UHFFFAOYSA-N -1 3 394.678 3.008 20 0 GGADHM CCSc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000176274945 565762321 /nfs/dbraw/zinc/76/23/21/565762321.db2.gz YJMIRQKJNHXEAA-UHFFFAOYSA-N -1 3 378.881 3.317 20 0 GGADHM CN1CCC(N(Cc2ccco2)C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000176295803 565762986 /nfs/dbraw/zinc/76/29/86/565762986.db2.gz DNEOAWUCQRTZKR-UHFFFAOYSA-N -1 3 384.552 3.009 20 0 GGADHM O=C(CCn1c(=O)oc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000176439976 565772288 /nfs/dbraw/zinc/77/22/88/565772288.db2.gz LSESERHHGGWQIZ-UHFFFAOYSA-N -1 3 377.194 3.091 20 0 GGADHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000176439017 565772901 /nfs/dbraw/zinc/77/29/01/565772901.db2.gz APDPUWHTMLASIS-NSHDSACASA-N -1 3 383.286 3.378 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2occc2Br)c1 ZINC000176464189 565775162 /nfs/dbraw/zinc/77/51/62/565775162.db2.gz BBHVAKPVGAVJGT-UHFFFAOYSA-N -1 3 378.631 3.351 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000176465573 565775303 /nfs/dbraw/zinc/77/53/03/565775303.db2.gz WRVMPVIWVFWDEK-UHFFFAOYSA-N -1 3 386.857 3.352 20 0 GGADHM CC(C)OCCS(=O)(=O)[N-]c1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000176467981 565775645 /nfs/dbraw/zinc/77/56/45/565775645.db2.gz HIICCIWFEHPSHQ-UHFFFAOYSA-N -1 3 388.917 3.133 20 0 GGADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(Br)s1 ZINC000282414065 565778332 /nfs/dbraw/zinc/77/83/32/565778332.db2.gz STBQMQIAJTYJPX-JTQLQIEISA-N -1 3 380.329 3.138 20 0 GGADHM Cc1oc(C(=O)[N-]c2nc3c(cccc3C)s2)cc1S(=O)(=O)N(C)C ZINC000176513237 565779195 /nfs/dbraw/zinc/77/91/95/565779195.db2.gz QCZCEBOXRJBXHC-UHFFFAOYSA-N -1 3 379.463 3.009 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)cc1Cl ZINC000282442586 565779479 /nfs/dbraw/zinc/77/94/79/565779479.db2.gz GOCDLFAKSUOAON-CYBMUJFWSA-N -1 3 390.292 3.091 20 0 GGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000176526517 565781698 /nfs/dbraw/zinc/78/16/98/565781698.db2.gz JPIIYYQUOSLMKR-GXTWGEPZSA-N -1 3 398.937 3.084 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000412342263 565782645 /nfs/dbraw/zinc/78/26/45/565782645.db2.gz UEJRNFNDSLXBRX-UHFFFAOYSA-N -1 3 392.150 3.422 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ncnn3C(C)(C)C)s2)cs1 ZINC000282497209 565782847 /nfs/dbraw/zinc/78/28/47/565782847.db2.gz YSUGQUPADVNYRS-UHFFFAOYSA-N -1 3 397.551 3.005 20 0 GGADHM CC(C)(C(=O)N=c1[nH][n-]cc1Br)c1ccc(OC(F)(F)F)cc1 ZINC000412336948 565782873 /nfs/dbraw/zinc/78/28/73/565782873.db2.gz KEJJJLQFCVKGQH-UHFFFAOYSA-N -1 3 392.175 3.409 20 0 GGADHM CN(C)c1nc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc(=O)[n-]1 ZINC000331769751 565782912 /nfs/dbraw/zinc/78/29/12/565782912.db2.gz BWQHDRUHPVXOOP-SNVBAGLBSA-N -1 3 397.298 3.050 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1cc(Br)ccc1Cl ZINC000193966489 565785650 /nfs/dbraw/zinc/78/56/50/565785650.db2.gz DLJPXCHFWWDMOL-UHFFFAOYSA-N -1 3 378.622 3.010 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC000193966264 565786211 /nfs/dbraw/zinc/78/62/11/565786211.db2.gz OAQNOQCWGYCKCB-UHFFFAOYSA-N -1 3 383.844 3.427 20 0 GGADHM Cc1ncc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000176628575 565789130 /nfs/dbraw/zinc/78/91/30/565789130.db2.gz MJCVJZPJZUCECI-UHFFFAOYSA-N -1 3 379.869 3.301 20 0 GGADHM CCOc1cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)cc(Br)c1[O-] ZINC000331909643 565791625 /nfs/dbraw/zinc/79/16/25/565791625.db2.gz INBZXCJIPDXXHR-UKRRQHHQSA-N -1 3 398.297 3.123 20 0 GGADHM CCOc1cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)cc(Br)c1[O-] ZINC000331909645 565791689 /nfs/dbraw/zinc/79/16/89/565791689.db2.gz INBZXCJIPDXXHR-ZFWWWQNUSA-N -1 3 398.297 3.123 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c(Cl)c1Cl ZINC000331940082 565795464 /nfs/dbraw/zinc/79/54/64/565795464.db2.gz MUIOFUGFEDOPGL-LLVKDONJSA-N -1 3 393.336 3.297 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1Br ZINC000282778937 565796362 /nfs/dbraw/zinc/79/63/62/565796362.db2.gz XZYDZAZKPLDYSD-AAEUAGOBSA-N -1 3 394.718 3.338 20 0 GGADHM CCOc1cc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc(Br)c1[O-] ZINC000331975655 565797458 /nfs/dbraw/zinc/79/74/58/565797458.db2.gz XGXHTRNJMOQIEB-DZGCQCFKSA-N -1 3 397.313 3.044 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)sc1Br ZINC000332010653 565799418 /nfs/dbraw/zinc/79/94/18/565799418.db2.gz RICFIAXEZOPDLR-LLVKDONJSA-N -1 3 396.372 3.286 20 0 GGADHM CC(C)CO[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000332018240 565799507 /nfs/dbraw/zinc/79/95/07/565799507.db2.gz RYZFCVHGPIQPGQ-ZDUSSCGKSA-N -1 3 393.281 3.178 20 0 GGADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000194237748 565803893 /nfs/dbraw/zinc/80/38/93/565803893.db2.gz IZFQDURYQLOIAD-UHFFFAOYSA-N -1 3 384.299 3.089 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000176795173 565803914 /nfs/dbraw/zinc/80/39/14/565803914.db2.gz BXPCMQQSSVBZMY-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3cc(Br)cc(C)c3C2)on1 ZINC000332091221 565804948 /nfs/dbraw/zinc/80/49/48/565804948.db2.gz BQQASGJIVHTJAP-GFCCVEGCSA-N -1 3 378.270 3.439 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C2CCN(Cc3ccccc3C)CC2)s1 ZINC000176837410 565806946 /nfs/dbraw/zinc/80/69/46/565806946.db2.gz IFAQSBVTMHLJHB-UHFFFAOYSA-N -1 3 379.551 3.011 20 0 GGADHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cnc(C2OCCO2)s1 ZINC000283049244 565807403 /nfs/dbraw/zinc/80/74/03/565807403.db2.gz NZSLDFMWRJATTB-UHFFFAOYSA-N -1 3 382.463 3.296 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCCO1 ZINC000332128915 565808296 /nfs/dbraw/zinc/80/82/96/565808296.db2.gz JBJHXYNBQCHFEE-SDBXPKJASA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@@H]1CCCO1 ZINC000332128915 565808302 /nfs/dbraw/zinc/80/83/02/565808302.db2.gz JBJHXYNBQCHFEE-SDBXPKJASA-N -1 3 399.672 3.241 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)NCc1ccco1 ZINC000176847358 565808342 /nfs/dbraw/zinc/80/83/42/565808342.db2.gz JOOMZHGAFHQSEA-JTQLQIEISA-N -1 3 398.893 3.131 20 0 GGADHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1cnc(C2OCCO2)s1 ZINC000283074939 565808966 /nfs/dbraw/zinc/80/89/66/565808966.db2.gz POEMBRZSAHFVLX-UHFFFAOYSA-N -1 3 382.463 3.241 20 0 GGADHM CSc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000176872042 565811044 /nfs/dbraw/zinc/81/10/44/565811044.db2.gz VERUZWZWUMSBIF-UHFFFAOYSA-N -1 3 376.912 3.040 20 0 GGADHM Cn1[n-]c(=NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc1OC(F)F ZINC000332164866 565811968 /nfs/dbraw/zinc/81/19/68/565811968.db2.gz RTFXDTSMTROOBD-UHFFFAOYSA-N -1 3 391.205 3.340 20 0 GGADHM CC(=O)N1CCC(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000176905191 565813026 /nfs/dbraw/zinc/81/30/26/565813026.db2.gz ZBXFVOGJJFKHBC-UHFFFAOYSA-N -1 3 386.926 3.092 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2sc(C)nc2C)sc1Br ZINC000176912455 565814152 /nfs/dbraw/zinc/81/41/52/565814152.db2.gz RSZNLKQOKNKBMP-UHFFFAOYSA-N -1 3 395.369 3.413 20 0 GGADHM CN(C[C@@H]1CCCO1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332190906 565814296 /nfs/dbraw/zinc/81/42/96/565814296.db2.gz WWGTXCSZPNOWQS-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM CN(C[C@@H]1CCCO1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332190906 565814300 /nfs/dbraw/zinc/81/43/00/565814300.db2.gz WWGTXCSZPNOWQS-JTQLQIEISA-N -1 3 399.672 3.195 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CSC)cc1Cl ZINC000176930340 565814965 /nfs/dbraw/zinc/81/49/65/565814965.db2.gz CDDPCKWWIGGTPE-ZETCQYMHSA-N -1 3 388.736 3.141 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC=CCC2)cc1Cl ZINC000176930447 565815154 /nfs/dbraw/zinc/81/51/54/565815154.db2.gz WIJRVWPHUPLXRX-SECBINFHSA-N -1 3 380.691 3.498 20 0 GGADHM O=S(=O)([N-]CCCOC1CCOCC1)c1cc2cc(Cl)ccc2s1 ZINC000176937360 565816146 /nfs/dbraw/zinc/81/61/46/565816146.db2.gz OVOKZOOPFRJMHX-UHFFFAOYSA-N -1 3 389.926 3.419 20 0 GGADHM CO[C@H](C)c1nc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cs1 ZINC000176949506 565817618 /nfs/dbraw/zinc/81/76/18/565817618.db2.gz DZZGYBNTFQBNMA-LLVKDONJSA-N -1 3 384.527 3.065 20 0 GGADHM CO[C@H](C)c1nc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cs1 ZINC000176949506 565817619 /nfs/dbraw/zinc/81/76/19/565817619.db2.gz DZZGYBNTFQBNMA-LLVKDONJSA-N -1 3 384.527 3.065 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](O)c1cccc(Br)c1 ZINC000283410281 565817953 /nfs/dbraw/zinc/81/79/53/565817953.db2.gz QWPAKVYBEOUMBT-CYBMUJFWSA-N -1 3 385.208 3.094 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)sc1Br ZINC000176960048 565818324 /nfs/dbraw/zinc/81/83/24/565818324.db2.gz JAVRNDBZHRDIMQ-UHFFFAOYSA-N -1 3 381.342 3.371 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)Cc2cccc(Cl)c2)c(C)c1 ZINC000283469519 565819581 /nfs/dbraw/zinc/81/95/81/565819581.db2.gz GLNJOMDYIGWMNC-UHFFFAOYSA-N -1 3 380.897 3.323 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCCCC1=O ZINC000194600476 565825273 /nfs/dbraw/zinc/82/52/73/565825273.db2.gz QNGZNKCBOCLILV-SNVBAGLBSA-N -1 3 398.834 3.038 20 0 GGADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194611065 565826721 /nfs/dbraw/zinc/82/67/21/565826721.db2.gz WKEAXJZFCJPMAY-VIFPVBQESA-N -1 3 375.315 3.228 20 0 GGADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000194632290 565827650 /nfs/dbraw/zinc/82/76/50/565827650.db2.gz NTSGJPWUOKKPAX-UHFFFAOYSA-N -1 3 384.738 3.128 20 0 GGADHM O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000332338394 565830307 /nfs/dbraw/zinc/83/03/07/565830307.db2.gz RLLRRFAADRPRCX-UHFFFAOYSA-N -1 3 393.818 3.370 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(C[C@H]4CCCO4)n3)[n-]2)c1 ZINC000283832693 565832709 /nfs/dbraw/zinc/83/27/09/565832709.db2.gz JTIYOEGSEPLURC-LLVKDONJSA-N -1 3 376.214 3.006 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(C[C@H]4CCCO4)n3)n2)c1 ZINC000283832693 565832715 /nfs/dbraw/zinc/83/27/15/565832715.db2.gz JTIYOEGSEPLURC-LLVKDONJSA-N -1 3 376.214 3.006 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(C[C@H]4CCCO4)n3)n[n-]2)c1 ZINC000283832693 565832719 /nfs/dbraw/zinc/83/27/19/565832719.db2.gz JTIYOEGSEPLURC-LLVKDONJSA-N -1 3 376.214 3.006 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1cccc(Cl)c1Br ZINC000332369202 565833564 /nfs/dbraw/zinc/83/35/64/565833564.db2.gz VJHVRRWPJHCYPM-GHMZBOCLSA-N -1 3 382.707 3.074 20 0 GGADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1cccc2nsnc21 ZINC000194775734 565836146 /nfs/dbraw/zinc/83/61/46/565836146.db2.gz XDNKPSGPJUXDKS-AWEZNQCLSA-N -1 3 388.499 3.216 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000332434136 565836943 /nfs/dbraw/zinc/83/69/43/565836943.db2.gz BTCGUPCUKSOLMA-LLVKDONJSA-N -1 3 394.306 3.055 20 0 GGADHM Cc1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c([O-])c1C ZINC000332464552 565839417 /nfs/dbraw/zinc/83/94/17/565839417.db2.gz QJNZPMFDFAPCGW-UHFFFAOYSA-N -1 3 378.270 3.445 20 0 GGADHM NC(=O)CC1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000332465048 565839499 /nfs/dbraw/zinc/83/94/99/565839499.db2.gz QGJGWKNMLGLIHZ-UHFFFAOYSA-N -1 3 381.679 3.229 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000332464012 565839511 /nfs/dbraw/zinc/83/95/11/565839511.db2.gz LBVMCUPSIYKHJQ-LLVKDONJSA-N -1 3 394.306 3.055 20 0 GGADHM CO[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1(C)C ZINC000332496280 565840220 /nfs/dbraw/zinc/84/02/20/565840220.db2.gz BXZXTMDIPZMKGK-HNNXBMFYSA-N -1 3 393.281 3.178 20 0 GGADHM CCO[C@H]1C[C@@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000284067489 565840508 /nfs/dbraw/zinc/84/05/08/565840508.db2.gz UNXFNAZAUVYAOG-QWRGUYRKSA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@H]1C[C@@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000284067489 565840512 /nfs/dbraw/zinc/84/05/12/565840512.db2.gz UNXFNAZAUVYAOG-QWRGUYRKSA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@H]1C[C@@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000284067489 565840517 /nfs/dbraw/zinc/84/05/17/565840517.db2.gz UNXFNAZAUVYAOG-QWRGUYRKSA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@@H]1C[C@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000284067481 565840764 /nfs/dbraw/zinc/84/07/64/565840764.db2.gz UNXFNAZAUVYAOG-GHMZBOCLSA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@@H]1C[C@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000284067481 565840771 /nfs/dbraw/zinc/84/07/71/565840771.db2.gz UNXFNAZAUVYAOG-GHMZBOCLSA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@@H]1C[C@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000284067481 565840776 /nfs/dbraw/zinc/84/07/76/565840776.db2.gz UNXFNAZAUVYAOG-GHMZBOCLSA-N -1 3 376.214 3.177 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000332502484 565841354 /nfs/dbraw/zinc/84/13/54/565841354.db2.gz RQTSZVDPJJAJRY-SNVBAGLBSA-N -1 3 381.828 3.215 20 0 GGADHM NC(=O)C[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332517507 565841375 /nfs/dbraw/zinc/84/13/75/565841375.db2.gz KOJWMPCUXYPIGK-NSHDSACASA-N -1 3 392.253 3.211 20 0 GGADHM CCO[C@H]1C[C@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000284067485 565841323 /nfs/dbraw/zinc/84/13/23/565841323.db2.gz UNXFNAZAUVYAOG-MNOVXSKESA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@H]1C[C@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000284067485 565841325 /nfs/dbraw/zinc/84/13/25/565841325.db2.gz UNXFNAZAUVYAOG-MNOVXSKESA-N -1 3 376.214 3.177 20 0 GGADHM CCO[C@H]1C[C@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000284067485 565841327 /nfs/dbraw/zinc/84/13/27/565841327.db2.gz UNXFNAZAUVYAOG-MNOVXSKESA-N -1 3 376.214 3.177 20 0 GGADHM COC1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000332508565 565841718 /nfs/dbraw/zinc/84/17/18/565841718.db2.gz GXGAJVWLBITIJA-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM COC1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CC1 ZINC000332508565 565841726 /nfs/dbraw/zinc/84/17/26/565841726.db2.gz GXGAJVWLBITIJA-UHFFFAOYSA-N -1 3 399.672 3.195 20 0 GGADHM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000332535617 565843168 /nfs/dbraw/zinc/84/31/68/565843168.db2.gz VAJANPFJDCBDCD-AAEUAGOBSA-N -1 3 393.281 3.056 20 0 GGADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCC(F)(F)F)n2)cc1 ZINC000284188525 565845192 /nfs/dbraw/zinc/84/51/92/565845192.db2.gz HCACXTXRGNKWQX-SNVBAGLBSA-N -1 3 377.388 3.232 20 0 GGADHM Cc1noc2ncc(S(=O)(=O)[N-]C[C@H]3CCCC[C@@H]3C(F)(F)F)cc12 ZINC000332567691 565845372 /nfs/dbraw/zinc/84/53/72/565845372.db2.gz UYOCTPUEPPCMNB-MFKMUULPSA-N -1 3 377.388 3.178 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(N2CCCC2)ccn1 ZINC000194894673 565845781 /nfs/dbraw/zinc/84/57/81/565845781.db2.gz YYPXCBZPVJQVIF-UHFFFAOYSA-N -1 3 376.254 3.080 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC=CCC1 ZINC000332599550 565846587 /nfs/dbraw/zinc/84/65/87/565846587.db2.gz MXJNJHJFLWVDPY-INIZCTEOSA-N -1 3 399.310 3.111 20 0 GGADHM NC(=O)C1CCC(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000332627353 565848496 /nfs/dbraw/zinc/84/84/96/565848496.db2.gz SJBRWDLZQNHMAX-UHFFFAOYSA-N -1 3 392.253 3.114 20 0 GGADHM C[C@H]1COCC[C@@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000332670089 565851131 /nfs/dbraw/zinc/85/11/31/565851131.db2.gz PEGVEJTYRZLEPQ-ZANVPECISA-N -1 3 382.233 3.011 20 0 GGADHM C[C@@]1(c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000177456573 565852863 /nfs/dbraw/zinc/85/28/63/565852863.db2.gz SFIQXWFVJJLYOZ-KRWDZBQOSA-N -1 3 378.215 3.300 20 0 GGADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)CCC(F)(F)F)n2)ccc1F ZINC000284452609 565853488 /nfs/dbraw/zinc/85/34/88/565853488.db2.gz XFRPNIPDUSIQJQ-VIFPVBQESA-N -1 3 381.351 3.117 20 0 GGADHM C[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCO1 ZINC000332687991 565853479 /nfs/dbraw/zinc/85/34/79/565853479.db2.gz UMCQGOIFUWUHLR-ZJUUUORDSA-N -1 3 382.233 3.154 20 0 GGADHM C[C@@H]1C[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCO1 ZINC000332687985 565853826 /nfs/dbraw/zinc/85/38/26/565853826.db2.gz UMCQGOIFUWUHLR-NXEZZACHSA-N -1 3 382.233 3.154 20 0 GGADHM C[C@H](CC(F)F)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000413510799 565856936 /nfs/dbraw/zinc/85/69/36/565856936.db2.gz VTNFHDZFGMIYAL-SSDOTTSWSA-N -1 3 384.807 3.150 20 0 GGADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCOC2(CCCC2)C1 ZINC000332886680 565857691 /nfs/dbraw/zinc/85/76/91/565857691.db2.gz QHUBQVIFSZSEKP-UHFFFAOYSA-N -1 3 391.265 3.076 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)Cc1cccc(Br)c1 ZINC000177551094 565858590 /nfs/dbraw/zinc/85/85/90/565858590.db2.gz XQWHNGNNPYMSHR-SNVBAGLBSA-N -1 3 390.324 3.429 20 0 GGADHM O=C(NCc1ccsc1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000195134239 565860639 /nfs/dbraw/zinc/86/06/39/565860639.db2.gz NHYDDMCMOPFHOK-UHFFFAOYSA-N -1 3 398.556 3.280 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1cccc(F)c1 ZINC000195134179 565860941 /nfs/dbraw/zinc/86/09/41/565860941.db2.gz JZDLAMJKAOXGBX-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c(C)o1 ZINC000177626376 565863238 /nfs/dbraw/zinc/86/32/38/565863238.db2.gz JJQIRKLXKZADGB-UHFFFAOYSA-N -1 3 391.276 3.075 20 0 GGADHM O=C(c1cccc([O-])c1)N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000177642837 565864321 /nfs/dbraw/zinc/86/43/21/565864321.db2.gz SAQGZADBALZOIP-UHFFFAOYSA-N -1 3 393.256 3.252 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)sc1Br ZINC000333087368 565864498 /nfs/dbraw/zinc/86/44/98/565864498.db2.gz YQKMWJFSBGPUSH-UHFFFAOYSA-N -1 3 394.356 3.040 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)o1 ZINC000177635532 565864484 /nfs/dbraw/zinc/86/44/84/565864484.db2.gz LGNSWNHVISJSJB-QMMMGPOBSA-N -1 3 391.276 3.294 20 0 GGADHM CC(C)(O)CON=C([O-])Nc1ccc(Br)cc1Br ZINC000284663116 565864833 /nfs/dbraw/zinc/86/48/33/565864833.db2.gz HDFODCGSJWMGAC-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(Br)cc1Br ZINC000284663116 565864836 /nfs/dbraw/zinc/86/48/36/565864836.db2.gz HDFODCGSJWMGAC-UHFFFAOYSA-N -1 3 382.052 3.036 20 0 GGADHM CC1(C)Cc2ccc(C(=O)N3CCSC[C@@H]3c3nccs3)c([O-])c2O1 ZINC000333105889 565865644 /nfs/dbraw/zinc/86/56/44/565865644.db2.gz WIMRMZNOVUFVOT-CYBMUJFWSA-N -1 3 376.503 3.493 20 0 GGADHM CC[C@@H](C)NC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000195205637 565865891 /nfs/dbraw/zinc/86/58/91/565865891.db2.gz GGTUVMKSUKVPKG-SNVBAGLBSA-N -1 3 377.491 3.393 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCC[C@H](C(F)(F)F)C3)cn21 ZINC000333144490 565867892 /nfs/dbraw/zinc/86/78/92/565867892.db2.gz JWYFXRZIMLTSCZ-AGIUHOORSA-N -1 3 379.448 3.427 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CCC[C@@H](C(F)(F)F)C3)cn21 ZINC000333144492 565867901 /nfs/dbraw/zinc/86/79/01/565867901.db2.gz JWYFXRZIMLTSCZ-JHJVBQTASA-N -1 3 379.448 3.427 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCSc4c(F)cccc43)cn21 ZINC000333143028 565868333 /nfs/dbraw/zinc/86/83/33/565868333.db2.gz JQZRNVVLCZLRGF-BXUZGUMPSA-N -1 3 381.498 3.435 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCOc4c(Cl)cccc43)cn21 ZINC000333174494 565868686 /nfs/dbraw/zinc/86/86/86/565868686.db2.gz OJHPKIHJKMLJSO-RISCZKNCSA-N -1 3 381.885 3.236 20 0 GGADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCSc4ccc(F)cc43)cn21 ZINC000333173522 565869250 /nfs/dbraw/zinc/86/92/50/565869250.db2.gz OEHXZMXVNCSFRW-SMDDNHRTSA-N -1 3 381.498 3.435 20 0 GGADHM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1cccc(Cl)c1Cl ZINC000195241308 565869871 /nfs/dbraw/zinc/86/98/71/565869871.db2.gz ZWCBXZOOEGBONA-UHFFFAOYSA-N -1 3 391.242 3.298 20 0 GGADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCCC[C@H]3C(F)(F)F)cn21 ZINC000333184203 565870175 /nfs/dbraw/zinc/87/01/75/565870175.db2.gz QJQGXMGQPVJVNU-JHJVBQTASA-N -1 3 379.448 3.427 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3cccs3)C2)sc1C ZINC000333188859 565870705 /nfs/dbraw/zinc/87/07/05/565870705.db2.gz VBLZELQQAUWVSS-AWEZNQCLSA-N -1 3 385.580 3.012 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)sc1C ZINC000333200498 565871473 /nfs/dbraw/zinc/87/14/73/565871473.db2.gz YXSYTXCYUNZJIP-CXAGYDPISA-N -1 3 379.551 3.091 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)sc1C ZINC000333200499 565871650 /nfs/dbraw/zinc/87/16/50/565871650.db2.gz YXSYTXCYUNZJIP-DYVFJYSZSA-N -1 3 379.551 3.091 20 0 GGADHM CCc1cnc(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)[n-]1 ZINC000177740312 565871824 /nfs/dbraw/zinc/87/18/24/565871824.db2.gz FFJMQYPGDHCXEH-UHFFFAOYSA-N -1 3 395.790 3.057 20 0 GGADHM CCc1c[n-]c(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1 ZINC000177740312 565871828 /nfs/dbraw/zinc/87/18/28/565871828.db2.gz FFJMQYPGDHCXEH-UHFFFAOYSA-N -1 3 395.790 3.057 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3cc(C)sc3C)[n-]c(=O)c21 ZINC000195297181 565874600 /nfs/dbraw/zinc/87/46/00/565874600.db2.gz TYERQSMPDTUOCD-UHFFFAOYSA-N -1 3 375.475 3.384 20 0 GGADHM CS[C@@H](CO)[C@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000228327923 565925162 /nfs/dbraw/zinc/92/51/62/565925162.db2.gz VOGTVUFYMJSKPZ-CPCISQLKSA-N -1 3 399.148 3.119 20 0 GGADHM CCC[C@H](CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000195332077 565876694 /nfs/dbraw/zinc/87/66/94/565876694.db2.gz CTCOLYBARFNOEB-NSHDSACASA-N -1 3 381.325 3.357 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(C(F)(F)F)cc1F ZINC000333370663 565879495 /nfs/dbraw/zinc/87/94/95/565879495.db2.gz WDMRRLNKMDMRNZ-GDLCADMTSA-N -1 3 379.375 3.080 20 0 GGADHM O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)[N-]OCc1ccccc1 ZINC000284992824 565881311 /nfs/dbraw/zinc/88/13/11/565881311.db2.gz YLDXQAAUYKWQEL-GOSISDBHSA-N -1 3 390.281 3.133 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000177919487 565881751 /nfs/dbraw/zinc/88/17/51/565881751.db2.gz KMCHDIPHSDCWTJ-DOMZBBRYSA-N -1 3 378.270 3.388 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000195426906 565882082 /nfs/dbraw/zinc/88/20/82/565882082.db2.gz ZGWOQFHWQRHEIE-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM NC(=O)C1([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)C2CC3CC(C2)CC1C3 ZINC000333450060 565882589 /nfs/dbraw/zinc/88/25/89/565882589.db2.gz XKPACLYGWYYMKF-WOTSWCTKSA-N -1 3 376.469 3.071 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCN1C1CCCCC1 ZINC000333452362 565882913 /nfs/dbraw/zinc/88/29/13/565882913.db2.gz LYZNHYYPCZBEGX-HNNXBMFYSA-N -1 3 388.892 3.081 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cccc2c1OCCO2 ZINC000195443571 565883297 /nfs/dbraw/zinc/88/32/97/565883297.db2.gz AZAZRZQHCWDKQN-UHFFFAOYSA-N -1 3 388.214 3.160 20 0 GGADHM C[C@@]12CCN(C(=O)c3ccccc3[O-])C[C@@H]1C2(Br)Br ZINC000285045919 565884691 /nfs/dbraw/zinc/88/46/91/565884691.db2.gz VHPSFSUZVMIYMT-WCQYABFASA-N -1 3 389.087 3.360 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccnn2C(C)C)sc1Cl ZINC000285092744 565886956 /nfs/dbraw/zinc/88/69/56/565886956.db2.gz PRKCPBCZJUUFGL-FZMZJTMJSA-N -1 3 389.930 3.296 20 0 GGADHM O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc([O-])c(Br)c1 ZINC000178020174 565889703 /nfs/dbraw/zinc/88/97/03/565889703.db2.gz UYPZOHYBXYPECE-UHFFFAOYSA-N -1 3 386.249 3.199 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1F ZINC000333644799 565890549 /nfs/dbraw/zinc/89/05/49/565890549.db2.gz CTIYTHGTXSZXQA-NSHDSACASA-N -1 3 392.290 3.216 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Br)s1 ZINC000333652115 565891658 /nfs/dbraw/zinc/89/16/58/565891658.db2.gz FDEVMGIQKYRUSG-SNVBAGLBSA-N -1 3 380.329 3.138 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cc(Br)ccc1F ZINC000333680803 565892029 /nfs/dbraw/zinc/89/20/29/565892029.db2.gz LGFFHZUBDNUJBV-NSHDSACASA-N -1 3 392.290 3.216 20 0 GGADHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc(Cl)c1Br ZINC000285225366 565895572 /nfs/dbraw/zinc/89/55/72/565895572.db2.gz KHBQJIZMOJNLNM-UHFFFAOYSA-N -1 3 382.645 3.105 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000218981213 565902366 /nfs/dbraw/zinc/90/23/66/565902366.db2.gz HAFDDKZEDHDIRD-DGCLKSJQSA-N -1 3 394.356 3.410 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1nncn1C ZINC000285399026 565904208 /nfs/dbraw/zinc/90/42/08/565904208.db2.gz TZMBQTGPYSDYBO-GFCCVEGCSA-N -1 3 396.822 3.163 20 0 GGADHM CCN1CCN(Cc2cc(Br)c([O-])c(Br)c2)CC1 ZINC000221770127 565904428 /nfs/dbraw/zinc/90/44/28/565904428.db2.gz GATOLYGAXFYQOU-UHFFFAOYSA-N -1 3 378.108 3.055 20 0 GGADHM CC(C)CCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000178191905 565905319 /nfs/dbraw/zinc/90/53/19/565905319.db2.gz HRDTYVJUSNRYRJ-UHFFFAOYSA-N -1 3 398.244 3.299 20 0 GGADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000178191257 565905448 /nfs/dbraw/zinc/90/54/48/565905448.db2.gz ZYGCYRCYKZLXFI-CQSZACIVSA-N -1 3 381.523 3.076 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC2(CCCCC2)C1 ZINC000178270294 565909950 /nfs/dbraw/zinc/90/99/50/565909950.db2.gz YWRZCEXIPVWLQE-UHFFFAOYSA-N -1 3 383.286 3.399 20 0 GGADHM CN(C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C1CCC1 ZINC000285530523 565912789 /nfs/dbraw/zinc/91/27/89/565912789.db2.gz FKWPBVBTDKBZFS-UHFFFAOYSA-N -1 3 377.293 3.059 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000178331658 565913640 /nfs/dbraw/zinc/91/36/40/565913640.db2.gz CJAJWYPMTRRNBB-UHFFFAOYSA-N -1 3 390.230 3.406 20 0 GGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(CSCc3ccco3)no2)CC1 ZINC000348340000 565913656 /nfs/dbraw/zinc/91/36/56/565913656.db2.gz LDOMZGFLPRGRKX-UHFFFAOYSA-N -1 3 385.511 3.094 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)CC1 ZINC000414378182 565918357 /nfs/dbraw/zinc/91/83/57/565918357.db2.gz CIWIHJGBZRJVAW-UHFFFAOYSA-N -1 3 394.262 3.124 20 0 GGADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(F)c1 ZINC000414384851 565921005 /nfs/dbraw/zinc/92/10/05/565921005.db2.gz DDPAPQDVHXIGKY-UHFFFAOYSA-N -1 3 384.498 3.289 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cc(Br)c1[O-] ZINC000285662015 565921014 /nfs/dbraw/zinc/92/10/14/565921014.db2.gz CYOFVEGRRQIQSD-CNBITHIKSA-N -1 3 396.281 3.347 20 0 GGADHM Cn1cccc1S(=O)(=O)[N-]c1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000414387861 565921098 /nfs/dbraw/zinc/92/10/98/565921098.db2.gz ZXNSBIJCPNVXNY-UHFFFAOYSA-N -1 3 381.885 3.105 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000414385238 565921280 /nfs/dbraw/zinc/92/12/80/565921280.db2.gz DZTMOGMFMMPQRK-UHFFFAOYSA-N -1 3 378.878 3.282 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H](C)C2CCCCC2)s1 ZINC000178485939 565922049 /nfs/dbraw/zinc/92/20/49/565922049.db2.gz FNTSJDXKCHOMEO-STQMWFEESA-N -1 3 387.571 3.060 20 0 GGADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(F)c2)cc1 ZINC000414388572 565922413 /nfs/dbraw/zinc/92/24/13/565922413.db2.gz MJXUHQBYXQRJHL-UHFFFAOYSA-N -1 3 384.498 3.289 20 0 GGADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000226824322 565922363 /nfs/dbraw/zinc/92/23/63/565922363.db2.gz PQZNNMAIXTVYLE-MRVPVSSYSA-N -1 3 379.276 3.393 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2Cl)c1 ZINC000414392354 565923277 /nfs/dbraw/zinc/92/32/77/565923277.db2.gz FPBOWBRWSHBVNG-UHFFFAOYSA-N -1 3 387.841 3.175 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000178521215 565923506 /nfs/dbraw/zinc/92/35/06/565923506.db2.gz ICEUOMNRRUUOGP-CQSZACIVSA-N -1 3 383.828 3.232 20 0 GGADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C)c(Br)c(F)c2)CC1 ZINC000414405159 565924069 /nfs/dbraw/zinc/92/40/69/565924069.db2.gz ISWPKHKPIMROOE-UHFFFAOYSA-N -1 3 394.262 3.124 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000178527876 565924112 /nfs/dbraw/zinc/92/41/12/565924112.db2.gz RSTVJSGUGBDEJD-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000228557764 565924326 /nfs/dbraw/zinc/92/43/26/565924326.db2.gz LJVVDUBNMQVMHJ-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000228557759 565925085 /nfs/dbraw/zinc/92/50/85/565925085.db2.gz LJVVDUBNMQVMHJ-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)cs1 ZINC000178542583 565925358 /nfs/dbraw/zinc/92/53/58/565925358.db2.gz HVCNOYWLOKIYKS-SECBINFHSA-N -1 3 388.898 3.185 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000178547903 565926215 /nfs/dbraw/zinc/92/62/15/565926215.db2.gz FIWKMPDWPOZJJQ-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000178566002 565927039 /nfs/dbraw/zinc/92/70/39/565927039.db2.gz AYOYOKQSHFDTMF-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM CSC[C@@](C)(O)CNCc1cc(Br)c([O-])c(Br)c1 ZINC000230151595 565927176 /nfs/dbraw/zinc/92/71/76/565927176.db2.gz QKZYVIBASCTUAM-LBPRGKRZSA-N -1 3 399.148 3.121 20 0 GGADHM CSC[C@](C)(O)CNCc1cc(Br)c([O-])c(Br)c1 ZINC000230151600 565927462 /nfs/dbraw/zinc/92/74/62/565927462.db2.gz QKZYVIBASCTUAM-GFCCVEGCSA-N -1 3 399.148 3.121 20 0 GGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CCc2ccc(Cl)cc2)[n-]1 ZINC000414421634 565927900 /nfs/dbraw/zinc/92/79/00/565927900.db2.gz YSXMCGFWEWUTRB-UHFFFAOYSA-N -1 3 380.775 3.012 20 0 GGADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230610619 565930100 /nfs/dbraw/zinc/93/01/00/565930100.db2.gz WUFPQHQSXCUNMT-QMMMGPOBSA-N -1 3 377.235 3.233 20 0 GGADHM Cc1cccc(OCCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000178627516 565930433 /nfs/dbraw/zinc/93/04/33/565930433.db2.gz YTESAGSPOZJDFY-UHFFFAOYSA-N -1 3 379.254 3.341 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(C(=O)c3ccc(Cl)s3)n2)cc1 ZINC000349932235 565930734 /nfs/dbraw/zinc/93/07/34/565930734.db2.gz XNFIEPJITPUTAR-UHFFFAOYSA-N -1 3 383.838 3.054 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)NCc1ccccc1 ZINC000178687859 565932947 /nfs/dbraw/zinc/93/29/47/565932947.db2.gz PNCGGDNNDRKWOF-ZDUSSCGKSA-N -1 3 380.535 3.029 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)o1 ZINC000234246649 565933790 /nfs/dbraw/zinc/93/37/90/565933790.db2.gz PILMGAHWEXNTNQ-UHFFFAOYSA-N -1 3 379.663 3.131 20 0 GGADHM CC1(C)[C@@H](O)C[C@@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000232771544 565934100 /nfs/dbraw/zinc/93/41/00/565934100.db2.gz XZFLXFKZBSCNFP-QWRGUYRKSA-N -1 3 379.092 3.166 20 0 GGADHM CC[C@@H](C)CN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000178728996 565935365 /nfs/dbraw/zinc/93/53/65/565935365.db2.gz UZSQDAHONLMGCC-SNVBAGLBSA-N -1 3 398.244 3.251 20 0 GGADHM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(F)(F)F ZINC000414458340 565936140 /nfs/dbraw/zinc/93/61/40/565936140.db2.gz UHGZQSQMKZDNNI-CQSZACIVSA-N -1 3 379.400 3.297 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1 ZINC000350452515 565937516 /nfs/dbraw/zinc/93/75/16/565937516.db2.gz HZSWAVNWSPCDPT-UHFFFAOYSA-N -1 3 399.259 3.401 20 0 GGADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000414464906 565937680 /nfs/dbraw/zinc/93/76/80/565937680.db2.gz VPZQZWSCKHXJBO-UHFFFAOYSA-N -1 3 384.299 3.015 20 0 GGADHM [O-]c1c(Br)cc(CNCCOCC2CC2)cc1Br ZINC000236560465 565938278 /nfs/dbraw/zinc/93/82/78/565938278.db2.gz RVYOFZAREZGGRA-UHFFFAOYSA-N -1 3 379.092 3.433 20 0 GGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000414469813 565938741 /nfs/dbraw/zinc/93/87/41/565938741.db2.gz NAXUOPSBAOYOPK-JTQLQIEISA-N -1 3 395.834 3.478 20 0 GGADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000178800071 565938943 /nfs/dbraw/zinc/93/89/43/565938943.db2.gz USRVVDVTQWFNFT-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000414469814 565939236 /nfs/dbraw/zinc/93/92/36/565939236.db2.gz NAXUOPSBAOYOPK-SNVBAGLBSA-N -1 3 395.834 3.478 20 0 GGADHM [O-]c1c(Br)cc(CNCCOCC(F)F)cc1Br ZINC000236586878 565940260 /nfs/dbraw/zinc/94/02/60/565940260.db2.gz VUKNJDVGBVKSJX-UHFFFAOYSA-N -1 3 389.034 3.289 20 0 GGADHM COc1cc(-c2noc([C@@H]3CCc4nccn4C3)n2)cc(Br)c1[O-] ZINC000350783010 565940463 /nfs/dbraw/zinc/94/04/63/565940463.db2.gz UILGHKMMQUYBRQ-SECBINFHSA-N -1 3 391.225 3.140 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000414471397 565940559 /nfs/dbraw/zinc/94/05/59/565940559.db2.gz OYMWGGBAWMOKJD-UHFFFAOYSA-N -1 3 378.878 3.282 20 0 GGADHM Cc1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc(Cl)c1Br ZINC000286093370 565941487 /nfs/dbraw/zinc/94/14/87/565941487.db2.gz NZWGRNLQQQOXKQ-UHFFFAOYSA-N -1 3 382.645 3.105 20 0 GGADHM COc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c(Br)c1[O-] ZINC000414492691 565941630 /nfs/dbraw/zinc/94/16/30/565941630.db2.gz ZZIQQLJZKXGBFX-HUUCEWRRSA-N -1 3 378.266 3.471 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000178847041 565941889 /nfs/dbraw/zinc/94/18/89/565941889.db2.gz DDHGFVIFDQHMIJ-UHFFFAOYSA-N -1 3 388.898 3.105 20 0 GGADHM CSc1cccnc1-c1noc(-c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000350935653 565943588 /nfs/dbraw/zinc/94/35/88/565943588.db2.gz XJMCKNXAKJRDAD-UHFFFAOYSA-N -1 3 380.426 3.031 20 0 GGADHM Cc1noc(C)c1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000351179718 565947828 /nfs/dbraw/zinc/94/78/28/565947828.db2.gz YUTRWHUBPLOYIO-VIFPVBQESA-N -1 3 382.829 3.034 20 0 GGADHM Cc1cccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1Cl ZINC000178997947 565951034 /nfs/dbraw/zinc/95/10/34/565951034.db2.gz ALMOMZXSFPHOCF-UHFFFAOYSA-N -1 3 398.937 3.293 20 0 GGADHM O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000179048485 565954663 /nfs/dbraw/zinc/95/46/63/565954663.db2.gz LPRVVJICQPKFOW-UHFFFAOYSA-N -1 3 380.256 3.490 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(-c2ccc(F)cc2)o1)c1cccs1 ZINC000179087474 565956843 /nfs/dbraw/zinc/95/68/43/565956843.db2.gz OSXRJNUMFIOAFH-UHFFFAOYSA-N -1 3 380.466 3.215 20 0 GGADHM CC(C)(C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C1CCCC1 ZINC000179136684 565959896 /nfs/dbraw/zinc/95/98/96/565959896.db2.gz LTOJBSLIEDHCTF-UHFFFAOYSA-N -1 3 384.567 3.234 20 0 GGADHM CC1(C)CCC[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000179239160 565968135 /nfs/dbraw/zinc/96/81/35/565968135.db2.gz MBFDHHCWSPLHFP-AWEZNQCLSA-N -1 3 384.567 3.234 20 0 GGADHM COc1cc(C(=O)NCCc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000179359557 565976059 /nfs/dbraw/zinc/97/60/59/565976059.db2.gz HNFJMMRBHHLAKT-UHFFFAOYSA-N -1 3 380.238 3.144 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000179454162 565981429 /nfs/dbraw/zinc/98/14/29/565981429.db2.gz UMJLAWPLHIAXMA-MRXNPFEDSA-N -1 3 378.222 3.074 20 0 GGADHM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCc2sccc2C1 ZINC000179485009 565982677 /nfs/dbraw/zinc/98/26/77/565982677.db2.gz MZPQTXCLBWJLHM-LLVKDONJSA-N -1 3 395.322 3.393 20 0 GGADHM CC(C)(O)CON=C([O-])Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000286865400 565983512 /nfs/dbraw/zinc/98/35/12/565983512.db2.gz WLORFROTZVIRDM-UHFFFAOYSA-N -1 3 387.152 3.172 20 0 GGADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000286865400 565983515 /nfs/dbraw/zinc/98/35/15/565983515.db2.gz WLORFROTZVIRDM-UHFFFAOYSA-N -1 3 387.152 3.172 20 0 GGADHM CCc1cccc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)OC)cc2Cl)c1 ZINC000242047937 565984315 /nfs/dbraw/zinc/98/43/15/565984315.db2.gz VRJNOTLVYPGTHX-UHFFFAOYSA-N -1 3 383.853 3.498 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000179556864 565989043 /nfs/dbraw/zinc/98/90/43/565989043.db2.gz WMDOWFVHXPXXED-LBPRGKRZSA-N -1 3 389.249 3.455 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000179556875 565989269 /nfs/dbraw/zinc/98/92/69/565989269.db2.gz WMDOWFVHXPXXED-GFCCVEGCSA-N -1 3 389.249 3.455 20 0 GGADHM Cc1cccc(CCCNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000287039143 565993086 /nfs/dbraw/zinc/99/30/86/565993086.db2.gz SSNYTDCLTBBMPJ-UHFFFAOYSA-N -1 3 378.270 3.290 20 0 GGADHM O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1[O-] ZINC000179637163 565995376 /nfs/dbraw/zinc/99/53/76/565995376.db2.gz RLTPLKHBUNKMCJ-UHFFFAOYSA-N -1 3 379.865 3.337 20 0 GGADHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655132 565996174 /nfs/dbraw/zinc/99/61/74/565996174.db2.gz VNLVKEMOHKRXHP-LLVKDONJSA-N -1 3 387.299 3.041 20 0 GGADHM CC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000179649035 565996415 /nfs/dbraw/zinc/99/64/15/565996415.db2.gz RKDKHVKOZOTQRW-CQSZACIVSA-N -1 3 395.228 3.500 20 0 GGADHM CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655938 565997798 /nfs/dbraw/zinc/99/77/98/565997798.db2.gz FSMBSGHQABMHDX-UHFFFAOYSA-N -1 3 384.251 3.201 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000179728651 566004136 /nfs/dbraw/zinc/00/41/36/566004136.db2.gz FAUIZXRGKOUVFS-UHFFFAOYSA-N -1 3 382.869 3.288 20 0 GGADHM O=c1[n-]c(CN2CCC(n3cc(Br)cn3)CC2)nc2ccsc21 ZINC000363496660 566009100 /nfs/dbraw/zinc/00/91/00/566009100.db2.gz RIHANNOOUGSQMF-UHFFFAOYSA-N -1 3 394.298 3.193 20 0 GGADHM CCN(CC(C)C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179838099 566011920 /nfs/dbraw/zinc/01/19/20/566011920.db2.gz XOTMCQMDCLKHIH-UHFFFAOYSA-N -1 3 398.244 3.251 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc(F)c(F)cc2F)CC1)c1cccs1 ZINC000179873158 566014057 /nfs/dbraw/zinc/01/40/57/566014057.db2.gz GVNSOISMSVSPKD-UHFFFAOYSA-N -1 3 390.452 3.108 20 0 GGADHM CCC[C@H](CC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179875879 566014117 /nfs/dbraw/zinc/01/41/17/566014117.db2.gz PRAYTDBRRJAMSY-NSHDSACASA-N -1 3 398.244 3.441 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000246043878 566014481 /nfs/dbraw/zinc/01/44/81/566014481.db2.gz PEOOWDGGJGEUOP-IAOVAPTHSA-N -1 3 394.290 3.074 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)cc1Cl ZINC000246065546 566014836 /nfs/dbraw/zinc/01/48/36/566014836.db2.gz WZIOINQFXGMRES-ZWKOPEQDSA-N -1 3 380.293 3.238 20 0 GGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)o1 ZINC000179872515 566015124 /nfs/dbraw/zinc/01/51/24/566015124.db2.gz SGDUKXJIQNZHFZ-CZUORRHYSA-N -1 3 380.535 3.407 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C2CCCCCC2)s1 ZINC000179896743 566016426 /nfs/dbraw/zinc/01/64/26/566016426.db2.gz XIYHDIAMBHZZMD-UHFFFAOYSA-N -1 3 386.583 3.454 20 0 GGADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000179908653 566018049 /nfs/dbraw/zinc/01/80/49/566018049.db2.gz MPZJADXBWWXXRZ-UONOGXRCSA-N -1 3 386.583 3.310 20 0 GGADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000179908633 566018221 /nfs/dbraw/zinc/01/82/21/566018221.db2.gz MPZJADXBWWXXRZ-ZIAGYGMSSA-N -1 3 386.583 3.310 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)s1 ZINC000179927617 566019313 /nfs/dbraw/zinc/01/93/13/566019313.db2.gz RIKJISRDAYHMBG-AWEZNQCLSA-N -1 3 384.567 3.088 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C)CCCCC2)s1 ZINC000179919590 566019698 /nfs/dbraw/zinc/01/96/98/566019698.db2.gz LUKTZLZXLPCCOQ-UHFFFAOYSA-N -1 3 386.583 3.454 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1C(F)(F)F ZINC000246229697 566022801 /nfs/dbraw/zinc/02/28/01/566022801.db2.gz FUBUTGFLFJYCMI-NILFDRSVSA-N -1 3 375.412 3.331 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C2CC2)n1 ZINC000246269888 566023740 /nfs/dbraw/zinc/02/37/40/566023740.db2.gz UYMMQYSODYDJGK-JOQOYGCGSA-N -1 3 382.551 3.217 20 0 GGADHM Cc1csc([C@@H]([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C2CC2)n1 ZINC000246269902 566024465 /nfs/dbraw/zinc/02/44/65/566024465.db2.gz UYMMQYSODYDJGK-YEWWUXTCSA-N -1 3 382.551 3.217 20 0 GGADHM Cc1ccc([O-])c(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000180005932 566025086 /nfs/dbraw/zinc/02/50/86/566025086.db2.gz VKXVJDNVIWVOCC-UHFFFAOYSA-N -1 3 382.229 3.237 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(N)cc2)oc1-c1ccc(Cl)cc1 ZINC000363977301 566028620 /nfs/dbraw/zinc/02/86/20/566028620.db2.gz TYIKJDSZAYUBGX-UHFFFAOYSA-N -1 3 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CC(C)c1nc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)cn1C ZINC000416380994 566060583 /nfs/dbraw/zinc/06/05/83/566060583.db2.gz BONSBCAXPQXKFM-HNNXBMFYSA-N -1 3 376.507 3.068 20 0 GGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@H](c1nccs1)c1ccccc1 ZINC000416380745 566060604 /nfs/dbraw/zinc/06/06/04/566060604.db2.gz BITJPXXHGNQNFM-KRWDZBQOSA-N -1 3 380.535 3.359 20 0 GGADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1C ZINC000288198839 566062026 /nfs/dbraw/zinc/06/20/26/566062026.db2.gz KNEHNVJMBLCJOP-UHFFFAOYSA-N -1 3 383.779 3.217 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000416401280 566062220 /nfs/dbraw/zinc/06/22/20/566062220.db2.gz SZTYPFKYDZIMEY-GHMZBOCLSA-N -1 3 377.915 3.079 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000416399872 566062683 /nfs/dbraw/zinc/06/26/83/566062683.db2.gz PPAXWKGBMSZYOI-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000247552476 566062964 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HHAAMUXUGYTKQZ-UHFFFAOYSA-N -1 3 383.629 3.177 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c(F)cc1Br ZINC000416461295 566070460 /nfs/dbraw/zinc/07/04/60/566070460.db2.gz YZHUYKZYPLVXOC-VIFPVBQESA-N -1 3 393.303 3.435 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000416464402 566070654 /nfs/dbraw/zinc/07/06/54/566070654.db2.gz HMIOTRPEFKXBFB-UHFFFAOYSA-N -1 3 379.865 3.180 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000416458877 566070746 /nfs/dbraw/zinc/07/07/46/566070746.db2.gz RFAUBRSEACOMEE-UHFFFAOYSA-N -1 3 382.869 3.044 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCCOC(C)C)c(F)cc1Br ZINC000416456384 566071068 /nfs/dbraw/zinc/07/10/68/566071068.db2.gz LNIAOUGHYJTUGS-UHFFFAOYSA-N -1 3 382.295 3.380 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc3cccc(F)c3o2)s1 ZINC000610220852 566071269 /nfs/dbraw/zinc/07/12/69/566071269.db2.gz RAIAXOBYZBJZFE-UHFFFAOYSA-N -1 3 381.410 3.331 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)c1nccs1 ZINC000416464652 566071510 /nfs/dbraw/zinc/07/15/10/566071510.db2.gz XNAOVUJNYQGZEE-HNNXBMFYSA-N -1 3 388.898 3.187 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)C1 ZINC000416469343 566071577 /nfs/dbraw/zinc/07/15/77/566071577.db2.gz JHHKVEBIMPFJOA-UHFFFAOYSA-N -1 3 394.306 3.380 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CCCCC1 ZINC000416483678 566074143 /nfs/dbraw/zinc/07/41/43/566074143.db2.gz MYTWBBJNQQWOBL-UHFFFAOYSA-N -1 3 389.901 3.002 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180616386 566076529 /nfs/dbraw/zinc/07/65/29/566076529.db2.gz KISMSQGIJMAQBN-UHFFFAOYSA-N -1 3 393.690 3.327 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C1CCC(CSC)CC1 ZINC000416499073 566076801 /nfs/dbraw/zinc/07/68/01/566076801.db2.gz XQEKADPKVUJWGI-UHFFFAOYSA-N -1 3 391.942 3.327 20 0 GGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCC[C@H](C)C1 ZINC000248421277 566077205 /nfs/dbraw/zinc/07/72/05/566077205.db2.gz AEYKGUWPYDBMHV-UONOGXRCSA-N -1 3 378.460 3.289 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)cc1Cl ZINC000416501745 566077429 /nfs/dbraw/zinc/07/74/29/566077429.db2.gz MXDKLZVYQXDZSX-UHFFFAOYSA-N -1 3 384.807 3.151 20 0 GGADHM C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1CN1CCC[C@@H](C)C1 ZINC000248421278 566077578 /nfs/dbraw/zinc/07/75/78/566077578.db2.gz AEYKGUWPYDBMHV-ZIAGYGMSSA-N -1 3 378.460 3.289 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)C ZINC000416505304 566077759 /nfs/dbraw/zinc/07/77/59/566077759.db2.gz AMWLLUUQGQPHIB-LLVKDONJSA-N -1 3 390.933 3.153 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(C)cn2)c(Cl)c1Cl ZINC000416508410 566079385 /nfs/dbraw/zinc/07/93/85/566079385.db2.gz RMXFAAJCRPPAMP-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000416509979 566079405 /nfs/dbraw/zinc/07/94/05/566079405.db2.gz STTFDSIMRBANLE-INIZCTEOSA-N -1 3 381.519 3.329 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)cc1Cl ZINC000416522677 566080495 /nfs/dbraw/zinc/08/04/95/566080495.db2.gz JPJNBGSDNQFFQX-JTQLQIEISA-N -1 3 383.844 3.461 20 0 GGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000416524389 566081633 /nfs/dbraw/zinc/08/16/33/566081633.db2.gz LLGITWIDZVPISR-HNNXBMFYSA-N -1 3 396.336 3.153 20 0 GGADHM O=C(Nc1ccc2nncn2c1)c1n[n-]c(-c2ccccc2)c1Br ZINC000180682159 566082230 /nfs/dbraw/zinc/08/22/30/566082230.db2.gz HOOIVHAFECJFCA-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM O=C(Nc1ccc2nncn2c1)c1[n-]nc(-c2ccccc2)c1Br ZINC000180682159 566082232 /nfs/dbraw/zinc/08/22/32/566082232.db2.gz HOOIVHAFECJFCA-UHFFFAOYSA-N -1 3 383.209 3.134 20 0 GGADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cnc(COC)s1 ZINC000288631528 566083801 /nfs/dbraw/zinc/08/38/01/566083801.db2.gz PJZVFKFCBDVGOA-UHFFFAOYSA-N -1 3 382.463 3.291 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1F ZINC000180731841 566084360 /nfs/dbraw/zinc/08/43/60/566084360.db2.gz LODXVIDABBAEFK-GDBMZVCRSA-N -1 3 375.343 3.052 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc2c(cc1Br)OCO2 ZINC000248614759 566084535 /nfs/dbraw/zinc/08/45/35/566084535.db2.gz ZBXSOJJCPGRSAS-GDLCADMTSA-N -1 3 382.254 3.396 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000416540885 566084653 /nfs/dbraw/zinc/08/46/53/566084653.db2.gz IJXLPSRTEGFXLY-UHFFFAOYSA-N -1 3 382.707 3.338 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)cc1Cl ZINC000416544005 566084801 /nfs/dbraw/zinc/08/48/01/566084801.db2.gz DVKANDOJKUPQRG-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Cl)c(Br)c1 ZINC000248663943 566085211 /nfs/dbraw/zinc/08/52/11/566085211.db2.gz KJUQPICFVFKCFS-ZLKJLUDKSA-N -1 3 394.718 3.338 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000288660059 566085471 /nfs/dbraw/zinc/08/54/71/566085471.db2.gz RTWRQJXYGBQNOX-FZMZJTMJSA-N -1 3 384.548 3.086 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000288660056 566085529 /nfs/dbraw/zinc/08/55/29/566085529.db2.gz RTWRQJXYGBQNOX-BXUZGUMPSA-N -1 3 384.548 3.086 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@H](C)O1 ZINC000248657867 566085813 /nfs/dbraw/zinc/08/58/13/566085813.db2.gz FUCCFGGQSGWDBW-ILWJIGKKSA-N -1 3 382.707 3.337 20 0 GGADHM CN1CCC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000416548825 566086270 /nfs/dbraw/zinc/08/62/70/566086270.db2.gz CAYZKCGXPCFWJD-NSHDSACASA-N -1 3 384.851 3.369 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccn(C)n1 ZINC000416555849 566087384 /nfs/dbraw/zinc/08/73/84/566087384.db2.gz FKPJVUKXEUBGPV-ZETCQYMHSA-N -1 3 396.669 3.015 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1 ZINC000416563835 566088496 /nfs/dbraw/zinc/08/84/96/566088496.db2.gz APFWROSEHNBIKF-JOYOIKCWSA-N -1 3 387.807 3.205 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)s1 ZINC000416574751 566089216 /nfs/dbraw/zinc/08/92/16/566089216.db2.gz ZLQUGADCLCUTGY-VIFPVBQESA-N -1 3 389.882 3.236 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416586538 566090393 /nfs/dbraw/zinc/09/03/93/566090393.db2.gz GIYKQERYSZOAIV-IACUBPJLSA-N -1 3 379.881 3.313 20 0 GGADHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000416581327 566090695 /nfs/dbraw/zinc/09/06/95/566090695.db2.gz SEUZRBUKHYUWOY-RISCZKNCSA-N -1 3 388.308 3.101 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@](C)(OC)C2CC2)c(Cl)c1Cl ZINC000416580901 566090830 /nfs/dbraw/zinc/09/08/30/566090830.db2.gz CTIGSHSCKXNSHF-BJOHPYRUSA-N -1 3 382.309 3.484 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)CC(F)(F)F ZINC000416589731 566091069 /nfs/dbraw/zinc/09/10/69/566091069.db2.gz GHKYWDHVAJPQNW-NSHDSACASA-N -1 3 379.379 3.268 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000416591044 566091111 /nfs/dbraw/zinc/09/11/11/566091111.db2.gz KJDFBDWPAFZXKW-XPTSAGLGSA-N -1 3 380.279 3.070 20 0 GGADHM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000416589134 566091200 /nfs/dbraw/zinc/09/12/00/566091200.db2.gz RPNRXJRNIBNWRC-ZDUSSCGKSA-N -1 3 375.918 3.470 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000416589053 566091562 /nfs/dbraw/zinc/09/15/62/566091562.db2.gz JCNMNKKSYBOPCY-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM COCC1CCC([N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000416592341 566091675 /nfs/dbraw/zinc/09/16/75/566091675.db2.gz MQGQKHLWQSPZPO-UHFFFAOYSA-N -1 3 380.279 3.072 20 0 GGADHM O=S(=O)([N-]Cc1nccc(C(F)(F)F)n1)c1ccc(C(F)(F)F)s1 ZINC000416588745 566091713 /nfs/dbraw/zinc/09/17/13/566091713.db2.gz IUPCQQIQVLCXIK-UHFFFAOYSA-N -1 3 391.318 3.054 20 0 GGADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000416597433 566092312 /nfs/dbraw/zinc/09/23/12/566092312.db2.gz NOKJBLMSPGUYCX-XPTSAGLGSA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br)C1CC1 ZINC000416598375 566092353 /nfs/dbraw/zinc/09/23/53/566092353.db2.gz OJXQODMTSJJYRH-RNCFNFMXSA-N -1 3 382.345 3.301 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@H](C)O1 ZINC000416598155 566092413 /nfs/dbraw/zinc/09/24/13/566092413.db2.gz GQXPVJKBURBHQH-KXUCPTDWSA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000416597435 566092540 /nfs/dbraw/zinc/09/25/40/566092540.db2.gz NOKJBLMSPGUYCX-YMTOWFKASA-N -1 3 380.279 3.070 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br)C1CC1 ZINC000416598377 566092583 /nfs/dbraw/zinc/09/25/83/566092583.db2.gz OJXQODMTSJJYRH-TVQRCGJNSA-N -1 3 382.345 3.301 20 0 GGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)CC(F)(F)F ZINC000416593929 566092594 /nfs/dbraw/zinc/09/25/94/566092594.db2.gz KNCWNGRYFLWMBX-VIFPVBQESA-N -1 3 387.807 3.384 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@H](C)O1 ZINC000416594874 566092784 /nfs/dbraw/zinc/09/27/84/566092784.db2.gz DUSNQSWVNQMRFE-UTLUCORTSA-N -1 3 382.707 3.194 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)c(Cl)c1Cl ZINC000416593794 566093102 /nfs/dbraw/zinc/09/31/02/566093102.db2.gz KAPNHRWBLQTUNF-UHFFFAOYSA-N -1 3 382.309 3.486 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H](C)O1 ZINC000416599203 566094277 /nfs/dbraw/zinc/09/42/77/566094277.db2.gz HMEYYKJPAXLCTE-UTLUCORTSA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@@H](C)O1 ZINC000416608629 566094755 /nfs/dbraw/zinc/09/47/55/566094755.db2.gz RZWZBHHOBSNOKJ-OPRDCNLKSA-N -1 3 382.707 3.194 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@H](C)O1 ZINC000416608628 566094811 /nfs/dbraw/zinc/09/48/11/566094811.db2.gz RZWZBHHOBSNOKJ-KXUCPTDWSA-N -1 3 382.707 3.194 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)c2ccc(F)cc2)c1Cl ZINC000416608931 566094961 /nfs/dbraw/zinc/09/49/61/566094961.db2.gz LFQLKLKKSZVGQW-GFCCVEGCSA-N -1 3 392.279 3.495 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c1 ZINC000416609843 566094996 /nfs/dbraw/zinc/09/49/96/566094996.db2.gz VVCXFAMAOCZDDO-MRVPVSSYSA-N -1 3 390.221 3.325 20 0 GGADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br)C1CC1 ZINC000416606751 566095295 /nfs/dbraw/zinc/09/52/95/566095295.db2.gz XPAZEPZKKLMKSG-LKFCYVNXSA-N -1 3 380.279 3.070 20 0 GGADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@@H](C)O1 ZINC000416608627 566095512 /nfs/dbraw/zinc/09/55/12/566095512.db2.gz RZWZBHHOBSNOKJ-BBBLOLIVSA-N -1 3 382.707 3.194 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H](O)C(C)C ZINC000416617429 566096115 /nfs/dbraw/zinc/09/61/15/566096115.db2.gz IPVGQKMDGGPMQM-MFKMUULPSA-N -1 3 384.723 3.176 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H](O)C(C)C ZINC000416619629 566096343 /nfs/dbraw/zinc/09/63/43/566096343.db2.gz KMCPKVHZXKAUNI-WCQYABFASA-N -1 3 384.723 3.176 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H](O)C(C)C ZINC000416619621 566096410 /nfs/dbraw/zinc/09/64/10/566096410.db2.gz KMCPKVHZXKAUNI-AAEUAGOBSA-N -1 3 384.723 3.176 20 0 GGADHM O=C([N-]CCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000180884886 566097007 /nfs/dbraw/zinc/09/70/07/566097007.db2.gz OTWMPFUJEOXDRV-VIFPVBQESA-N -1 3 389.365 3.410 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H](O)C(C)C ZINC000416621528 566097460 /nfs/dbraw/zinc/09/74/60/566097460.db2.gz LQHCIMBLUQPTAF-WCQYABFASA-N -1 3 384.723 3.176 20 0 GGADHM CN(Cc1cn2c(n1)CCCC2)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000365375893 566097768 /nfs/dbraw/zinc/09/77/68/566097768.db2.gz BEMGSYXQMCLQIS-UHFFFAOYSA-N -1 3 393.285 3.029 20 0 GGADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccnc(C)c2)cc1Br ZINC000180907633 566098831 /nfs/dbraw/zinc/09/88/31/566098831.db2.gz VHQTYCTVMZRLTA-UHFFFAOYSA-N -1 3 398.282 3.220 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1cccnc1 ZINC000416631259 566099159 /nfs/dbraw/zinc/09/91/59/566099159.db2.gz KVOZAYVXHQJQFG-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)[C@@H]1CC1(C)C ZINC000416646208 566099632 /nfs/dbraw/zinc/09/96/32/566099632.db2.gz KWTZPJRFGMWNSE-WCQYABFASA-N -1 3 388.917 3.410 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H](CO)C1)c1cc(Cl)ccc1OCCC1CC1 ZINC000416641725 566099918 /nfs/dbraw/zinc/09/99/18/566099918.db2.gz BYCUHPXZOXOQKU-HOCLYGCPSA-N -1 3 387.929 3.348 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n[n-]1 ZINC000180924321 566100043 /nfs/dbraw/zinc/10/00/43/566100043.db2.gz XMGAWTIQPHYNOX-JTQLQIEISA-N -1 3 396.241 3.063 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)[n-]n1 ZINC000180924321 566100046 /nfs/dbraw/zinc/10/00/46/566100046.db2.gz XMGAWTIQPHYNOX-JTQLQIEISA-N -1 3 396.241 3.063 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000416648631 566101191 /nfs/dbraw/zinc/10/11/91/566101191.db2.gz PATJDRPZPLZRNO-LLVKDONJSA-N -1 3 382.482 3.297 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000365468512 566102907 /nfs/dbraw/zinc/10/29/07/566102907.db2.gz NXXZJSJLBNQODZ-UHFFFAOYSA-N -1 3 397.248 3.037 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC2(CCOCC2)CC1 ZINC000289070372 566104326 /nfs/dbraw/zinc/10/43/26/566104326.db2.gz CZMZCDNUZNZJFG-UHFFFAOYSA-N -1 3 383.286 3.257 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000289093016 566105382 /nfs/dbraw/zinc/10/53/82/566105382.db2.gz FHKYONIXUCLOAQ-AWEZNQCLSA-N -1 3 379.258 3.315 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000289093021 566105445 /nfs/dbraw/zinc/10/54/45/566105445.db2.gz FHKYONIXUCLOAQ-CQSZACIVSA-N -1 3 379.258 3.315 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(Br)c(F)c1 ZINC000181010405 566105468 /nfs/dbraw/zinc/10/54/68/566105468.db2.gz XJKIWIRWLUOVTD-UHFFFAOYSA-N -1 3 399.216 3.497 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)s1 ZINC000289094856 566106089 /nfs/dbraw/zinc/10/60/89/566106089.db2.gz GXSCRJVNXINHHP-GFCCVEGCSA-N -1 3 398.344 3.031 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccccc1Br ZINC000181038773 566108245 /nfs/dbraw/zinc/10/82/45/566108245.db2.gz ARCOTOZGSFBWDR-UHFFFAOYSA-N -1 3 381.226 3.357 20 0 GGADHM Cc1noc([C@@H]2CCCCN2C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000289235252 566112480 /nfs/dbraw/zinc/11/24/80/566112480.db2.gz OVLNISOIGSRFOL-ZDUSSCGKSA-N -1 3 395.257 3.283 20 0 GGADHM O=C(COc1ccc(Br)cc1F)[N-]c1nncn1-c1ccccc1 ZINC000181122197 566116942 /nfs/dbraw/zinc/11/69/42/566116942.db2.gz ABZATNNICCKUQF-UHFFFAOYSA-N -1 3 391.200 3.186 20 0 GGADHM O=c1cc(CNc2ccc(F)cc2I)nc(C2CC2)[n-]1 ZINC000417013778 566119187 /nfs/dbraw/zinc/11/91/87/566119187.db2.gz DKDDRRTYJNCKML-UHFFFAOYSA-N -1 3 385.180 3.415 20 0 GGADHM COC(=O)c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1Br ZINC000417040343 566120286 /nfs/dbraw/zinc/12/02/86/566120286.db2.gz XJHMPNKWJIUTNC-UHFFFAOYSA-N -1 3 378.226 3.221 20 0 GGADHM COC(=O)c1cc(NCc2cc(=O)[n-]c(C3CC3)n2)cc(Br)c1F ZINC000417020127 566120462 /nfs/dbraw/zinc/12/04/62/566120462.db2.gz FORKGTVGVUFOPQ-UHFFFAOYSA-N -1 3 396.216 3.360 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cs1 ZINC000255226656 566121076 /nfs/dbraw/zinc/12/10/76/566121076.db2.gz WLTMNKLIUAEAJF-PLNGDYQASA-N -1 3 381.460 3.019 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C2CC2)n1 ZINC000289418353 566121118 /nfs/dbraw/zinc/12/11/18/566121118.db2.gz HORKTBTZYNXNKC-QGZVFWFLSA-N -1 3 376.503 3.400 20 0 GGADHM Cc1nn2c(nnc2SCC/C=C\c2ccc(Br)cc2)[n-]c1=O ZINC000255538743 566121205 /nfs/dbraw/zinc/12/12/05/566121205.db2.gz BFIXPQNNFIGEJJ-RQOWECAXSA-N -1 3 392.282 3.491 20 0 GGADHM C[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)CC(F)(F)F ZINC000417044281 566121652 /nfs/dbraw/zinc/12/16/52/566121652.db2.gz QBVCTDLAQZUZME-MRVPVSSYSA-N -1 3 379.180 3.229 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2noc(COC(C)C)n2)sc1Cl ZINC000289552755 566128630 /nfs/dbraw/zinc/12/86/30/566128630.db2.gz OICUJLZDLUCJIG-VIFPVBQESA-N -1 3 379.891 3.057 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000181342360 566133655 /nfs/dbraw/zinc/13/36/55/566133655.db2.gz LZXUMNWBFPGAJQ-JTQLQIEISA-N -1 3 395.893 3.255 20 0 GGADHM CCOC(=O)Nc1scnc1C(=O)[N-]c1nc(C2CCOCC2)cs1 ZINC000366082304 566134324 /nfs/dbraw/zinc/13/43/24/566134324.db2.gz GYHYOYQROGHJAK-UHFFFAOYSA-N -1 3 382.467 3.314 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]CCC2CCN(CC(F)(F)F)CC2)c1F ZINC000181354593 566135170 /nfs/dbraw/zinc/13/51/70/566135170.db2.gz SFBKIWRBTGIZHD-UHFFFAOYSA-N -1 3 382.423 3.077 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC12CCOCC2 ZINC000289747294 566138062 /nfs/dbraw/zinc/13/80/62/566138062.db2.gz YNDDCTLFRLRVOZ-MRXNPFEDSA-N -1 3 379.503 3.129 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1cccs1 ZINC000289776965 566139067 /nfs/dbraw/zinc/13/90/67/566139067.db2.gz HVXGXPIEOSJPCE-QGZVFWFLSA-N -1 3 379.503 3.161 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2Cl)no1 ZINC000417259809 566141828 /nfs/dbraw/zinc/14/18/28/566141828.db2.gz IACMJUMMBLLHSL-VIFPVBQESA-N -1 3 382.829 3.034 20 0 GGADHM COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(Br)c1[O-] ZINC000289891997 566145744 /nfs/dbraw/zinc/14/57/44/566145744.db2.gz WMRUDQZKMOQQNY-QWRGUYRKSA-N -1 3 398.219 3.156 20 0 GGADHM C[C@@H](NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262094579 566147174 /nfs/dbraw/zinc/14/71/74/566147174.db2.gz GTURUMRGKRMGEC-SUFBMKPHSA-N -1 3 385.291 3.357 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)nc1)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181592255 566150729 /nfs/dbraw/zinc/15/07/29/566150729.db2.gz CBEHFWDCYWGTKU-GOEBONIOSA-N -1 3 387.288 3.338 20 0 GGADHM O=S(=O)([N-]C[C@@H]1NCCc2ccccc21)c1cc(Cl)sc1Cl ZINC000262526162 566154261 /nfs/dbraw/zinc/15/42/61/566154261.db2.gz OWCIJTBIOCYIOA-NSHDSACASA-N -1 3 377.318 3.220 20 0 GGADHM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1cnn(CC(F)F)c1 ZINC000417557131 566156534 /nfs/dbraw/zinc/15/65/34/566156534.db2.gz ATZRGEOUSJUOSF-ZDUSSCGKSA-N -1 3 378.206 3.241 20 0 GGADHM Cc1csc(CN[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])n1 ZINC000417563018 566158616 /nfs/dbraw/zinc/15/86/16/566158616.db2.gz MWPWWEHCIHFHKT-CYBMUJFWSA-N -1 3 394.294 3.481 20 0 GGADHM O=C([O-])c1ccnc(N2CCC(NCc3cscc3Br)CC2)c1 ZINC000417569401 566159649 /nfs/dbraw/zinc/15/96/49/566159649.db2.gz QXPQFHCTQOMJJA-UHFFFAOYSA-N -1 3 396.310 3.362 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262747418 566160186 /nfs/dbraw/zinc/16/01/86/566160186.db2.gz AQURJUARCYGVEM-VFZGTOFNSA-N -1 3 378.778 3.482 20 0 GGADHM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181711768 566160649 /nfs/dbraw/zinc/16/06/49/566160649.db2.gz HISGXKGKAANOEF-DEOSSOPVSA-N -1 3 389.445 3.010 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cs1 ZINC000290193021 566160988 /nfs/dbraw/zinc/16/09/88/566160988.db2.gz SETCNQHGNBBTNS-UHFFFAOYSA-N -1 3 397.305 3.083 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cs1 ZINC000290180887 566161121 /nfs/dbraw/zinc/16/11/21/566161121.db2.gz QWWCEVTXAOMVFL-UHFFFAOYSA-N -1 3 381.306 3.383 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cs1 ZINC000290197922 566162205 /nfs/dbraw/zinc/16/22/05/566162205.db2.gz SUNGNJXTECJIRI-UHFFFAOYSA-N -1 3 397.305 3.083 20 0 GGADHM C[C@@H](CNCc1cc(Br)ccc1OCc1ccccn1)C(=O)[O-] ZINC000417579452 566162683 /nfs/dbraw/zinc/16/26/83/566162683.db2.gz AOQXRPSXFIUCGH-LBPRGKRZSA-N -1 3 379.254 3.233 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3ccc(Br)cc3[nH]2)n[n-]1 ZINC000181750276 566163410 /nfs/dbraw/zinc/16/34/10/566163410.db2.gz BUZIMFNADYFNLV-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc3ccc(Br)cc3[nH]2)[n-]n1 ZINC000181750276 566163415 /nfs/dbraw/zinc/16/34/15/566163415.db2.gz BUZIMFNADYFNLV-UHFFFAOYSA-N -1 3 377.198 3.083 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000262866398 566163860 /nfs/dbraw/zinc/16/38/60/566163860.db2.gz UPVCOXJIEQTFSP-CXAGYDPISA-N -1 3 397.313 3.298 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2ccc(Br)c(Cl)c2)C(=O)[O-])n1 ZINC000417581643 566163998 /nfs/dbraw/zinc/16/39/98/566163998.db2.gz UBAUCOMEEQRTHV-AWEZNQCLSA-N -1 3 386.677 3.159 20 0 GGADHM COc1cccc(C[C@@H](NCc2ccc(OC)cc2Br)C(=O)[O-])c1 ZINC000417584235 566164928 /nfs/dbraw/zinc/16/49/28/566164928.db2.gz NBUPHFVZNLHUII-QGZVFWFLSA-N -1 3 394.265 3.252 20 0 GGADHM COc1c(Br)cc(Br)cc1CN[C@H](C)[C@@H](C)C(=O)[O-] ZINC000417616006 566166592 /nfs/dbraw/zinc/16/65/92/566166592.db2.gz UUHRXHOXEZARCC-HTQZYQBOSA-N -1 3 395.091 3.419 20 0 GGADHM COCc1nsc([N-]C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)n1 ZINC000290314593 566166794 /nfs/dbraw/zinc/16/67/94/566166794.db2.gz AFMBKYACFMVCHU-UHFFFAOYSA-N -1 3 384.483 3.370 20 0 GGADHM O=C([O-])C[C@@H](CNCc1ccc(I)cc1)C(F)(F)F ZINC000417616124 566167274 /nfs/dbraw/zinc/16/72/74/566167274.db2.gz ATXXSBKXJFRBEO-VIFPVBQESA-N -1 3 387.139 3.034 20 0 GGADHM CC(C)(C)OC(=O)CC[C@@H](NCc1sccc1Br)C(=O)[O-] ZINC000417629056 566168112 /nfs/dbraw/zinc/16/81/12/566168112.db2.gz VEJBOZSYVAPZSA-SNVBAGLBSA-N -1 3 378.288 3.175 20 0 GGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2cc(Br)cc(Br)c2)C1 ZINC000417620006 566168165 /nfs/dbraw/zinc/16/81/65/566168165.db2.gz LDROHQAGPCZTIE-JOYOIKCWSA-N -1 3 375.060 3.331 20 0 GGADHM O=C([O-])COCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000417632365 566168368 /nfs/dbraw/zinc/16/83/68/566168368.db2.gz YNRLXZGVGQCKIZ-UHFFFAOYSA-N -1 3 394.265 3.219 20 0 GGADHM CC(C)C[C@@H](CNCc1ccc(F)cc1I)C(=O)[O-] ZINC000417620458 566168398 /nfs/dbraw/zinc/16/83/98/566168398.db2.gz GCZDPGBTXFMFGP-NSHDSACASA-N -1 3 379.213 3.267 20 0 GGADHM COC[C@@H](NCc1cc(Br)ccc1OCc1ccccc1)C(=O)[O-] ZINC000417622677 566168581 /nfs/dbraw/zinc/16/85/81/566168581.db2.gz ILCRPHNGNXFZMS-MRXNPFEDSA-N -1 3 394.265 3.217 20 0 GGADHM O=C([O-])[C@H]1CC(=O)N(CCNCc2ccc(-c3ccccc3Cl)s2)C1 ZINC000417622362 566168916 /nfs/dbraw/zinc/16/89/16/566168916.db2.gz IJWFHSXRYOKNPR-LBPRGKRZSA-N -1 3 378.881 3.091 20 0 GGADHM Cc1cc(Br)cc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)c1OC(F)F ZINC000417628801 566169043 /nfs/dbraw/zinc/16/90/43/566169043.db2.gz WUBQMBRNNBZUEJ-JOYOIKCWSA-N -1 3 376.197 3.478 20 0 GGADHM C[C@@H](CC(C)(C)NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417638037 566169335 /nfs/dbraw/zinc/16/93/35/566169335.db2.gz OLHUJORCZLHXLB-VIFPVBQESA-N -1 3 379.213 3.409 20 0 GGADHM O=C([O-])[C@@H](Cc1ccccc1Br)NCc1cccc2c1OCCO2 ZINC000417637858 566169454 /nfs/dbraw/zinc/16/94/54/566169454.db2.gz ZJSOVSJCUCHMQY-OAHLLOKOSA-N -1 3 392.249 3.006 20 0 GGADHM CO[C@@H](CNCc1cc(Br)c(C)c(Br)c1)CC(=O)[O-] ZINC000417639651 566169566 /nfs/dbraw/zinc/16/95/66/566169566.db2.gz SZSSLPIEOZGLET-SNVBAGLBSA-N -1 3 395.091 3.099 20 0 GGADHM C[C@H](CC(C)(C)NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417638036 566169648 /nfs/dbraw/zinc/16/96/48/566169648.db2.gz OLHUJORCZLHXLB-SECBINFHSA-N -1 3 379.213 3.409 20 0 GGADHM CO[C@H](CNCc1cc(Br)c(C)c(Br)c1)CC(=O)[O-] ZINC000417639650 566170292 /nfs/dbraw/zinc/17/02/92/566170292.db2.gz SZSSLPIEOZGLET-JTQLQIEISA-N -1 3 395.091 3.099 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1cc(Br)c(Cl)s1)C(=O)[O-] ZINC000417661661 566170543 /nfs/dbraw/zinc/17/05/43/566170543.db2.gz KPNWWZWTLIEFEZ-VIFPVBQESA-N -1 3 398.706 3.439 20 0 GGADHM COc1cccc(C[C@@H](CNCc2ccccc2Br)C(=O)[O-])c1 ZINC000417658341 566170732 /nfs/dbraw/zinc/17/07/32/566170732.db2.gz ZYYSUIBKDFHEKW-HNNXBMFYSA-N -1 3 378.266 3.491 20 0 GGADHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000417667616 566171304 /nfs/dbraw/zinc/17/13/04/566171304.db2.gz UKHKVAOHEPTCBV-LBPRGKRZSA-N -1 3 392.677 3.377 20 0 GGADHM CCOc1ccc(Br)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181927473 566173823 /nfs/dbraw/zinc/17/38/23/566173823.db2.gz ORBZHPAQHGVKIX-UHFFFAOYSA-N -1 3 391.225 3.087 20 0 GGADHM CCc1ccccc1[C@H](N)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000417901988 566180873 /nfs/dbraw/zinc/18/08/73/566180873.db2.gz OTARRQWSUJJLGR-MRXNPFEDSA-N -1 3 392.297 3.216 20 0 GGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000263386782 566183545 /nfs/dbraw/zinc/18/35/45/566183545.db2.gz YETGVANQSHCRIN-TZMCWYRMSA-N -1 3 378.270 3.320 20 0 GGADHM COc1cc(C(=O)NCCNc2cccc(Br)c2)cc(OC)c1[O-] ZINC000182106732 566184577 /nfs/dbraw/zinc/18/45/77/566184577.db2.gz VHCBAQXNYYXJRK-UHFFFAOYSA-N -1 3 395.253 3.014 20 0 GGADHM COc1cc(CN(C)C[C@@H](C)C(=O)[O-])cc(Br)c1OC(F)F ZINC000263467856 566185347 /nfs/dbraw/zinc/18/53/47/566185347.db2.gz DAAYSOILYHJIHY-MRVPVSSYSA-N -1 3 382.201 3.212 20 0 GGADHM Cc1nscc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000182157393 566186829 /nfs/dbraw/zinc/18/68/29/566186829.db2.gz WHHYJZLZOJUJIM-UHFFFAOYSA-N -1 3 379.869 3.301 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cs1 ZINC000367124915 566187061 /nfs/dbraw/zinc/18/70/61/566187061.db2.gz LZPUVPHLILAFRJ-NSHDSACASA-N -1 3 382.507 3.043 20 0 GGADHM Cc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c(Br)n1 ZINC000367197393 566191017 /nfs/dbraw/zinc/19/10/17/566191017.db2.gz SANJFGPTHJOPSF-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c(Br)n1 ZINC000367197393 566191019 /nfs/dbraw/zinc/19/10/19/566191019.db2.gz SANJFGPTHJOPSF-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c(Br)n1 ZINC000367197393 566191021 /nfs/dbraw/zinc/19/10/21/566191021.db2.gz SANJFGPTHJOPSF-UHFFFAOYSA-N -1 3 394.179 3.468 20 0 GGADHM O=C([O-])[C@@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000263578348 566191996 /nfs/dbraw/zinc/19/19/96/566191996.db2.gz SNVWSNLJOWOBEW-CYBMUJFWSA-N -1 3 376.254 3.203 20 0 GGADHM CCc1nc([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)n[nH]1 ZINC000182236695 566192055 /nfs/dbraw/zinc/19/20/55/566192055.db2.gz OFNTWYKRTFGRGA-UHFFFAOYSA-N -1 3 382.207 3.493 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000182271092 566193743 /nfs/dbraw/zinc/19/37/43/566193743.db2.gz FDKWRUJRRWFAAT-INIZCTEOSA-N -1 3 378.222 3.074 20 0 GGADHM Cc1ccc([C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC000290888830 566194825 /nfs/dbraw/zinc/19/48/25/566194825.db2.gz MUHDVOWYDTXGPJ-PXAZEXFGSA-N -1 3 381.881 3.258 20 0 GGADHM O=C([N-]c1nnc2n1CCCC2)c1cc(-c2ccc(Br)cc2)no1 ZINC000613355095 566194765 /nfs/dbraw/zinc/19/47/65/566194765.db2.gz LDQHWNGGEPJLNS-UHFFFAOYSA-N -1 3 388.225 3.284 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290913654 566196027 /nfs/dbraw/zinc/19/60/27/566196027.db2.gz DSECXEYHCJKSFR-GFCCVEGCSA-N -1 3 399.676 3.161 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000290913256 566196078 /nfs/dbraw/zinc/19/60/78/566196078.db2.gz WYKDTFGPQIYDPL-SNVBAGLBSA-N -1 3 378.885 3.281 20 0 GGADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000290914107 566196349 /nfs/dbraw/zinc/19/63/49/566196349.db2.gz ALJDMXSRSUZKBQ-FQOARCPFSA-N -1 3 389.486 3.125 20 0 GGADHM Cn1cc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(-c2ccccc2)n1 ZINC000182326710 566196937 /nfs/dbraw/zinc/19/69/37/566196937.db2.gz QAZHCMVIDLQSPP-UHFFFAOYSA-N -1 3 379.844 3.358 20 0 GGADHM COc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(Br)c1[O-] ZINC000290935199 566197387 /nfs/dbraw/zinc/19/73/87/566197387.db2.gz PHOFRUHZHPHTPB-LBPRGKRZSA-N -1 3 386.677 3.460 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1nnc(-c2ccccn2)[n-]1 ZINC000182335351 566197896 /nfs/dbraw/zinc/19/78/96/566197896.db2.gz QPTQSKZZVRXRLI-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1nc(-c2ccccn2)n[n-]1 ZINC000182335351 566197901 /nfs/dbraw/zinc/19/79/01/566197901.db2.gz QPTQSKZZVRXRLI-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1cc(F)ccc1Br)Nc1n[n-]c(-c2ccccn2)n1 ZINC000182335351 566197907 /nfs/dbraw/zinc/19/79/07/566197907.db2.gz QPTQSKZZVRXRLI-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCOC2)C1)c1cc2cc(Cl)ccc2s1 ZINC000367421318 566201872 /nfs/dbraw/zinc/20/18/72/566201872.db2.gz AKBKINNOSPFDNL-CZUORRHYSA-N -1 3 387.910 3.171 20 0 GGADHM CC(=O)OC(C)(C)c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000291116649 566205862 /nfs/dbraw/zinc/20/58/62/566205862.db2.gz UFJFJULKCDUKKC-UHFFFAOYSA-N -1 3 392.213 3.082 20 0 GGADHM CC(=O)OC(C)(C)c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000291116649 566205867 /nfs/dbraw/zinc/20/58/67/566205867.db2.gz UFJFJULKCDUKKC-UHFFFAOYSA-N -1 3 392.213 3.082 20 0 GGADHM CC(=O)OC(C)(C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000291116649 566205872 /nfs/dbraw/zinc/20/58/72/566205872.db2.gz UFJFJULKCDUKKC-UHFFFAOYSA-N -1 3 392.213 3.082 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000182493801 566207619 /nfs/dbraw/zinc/20/76/19/566207619.db2.gz IQSSDAVGHKCQTO-UHFFFAOYSA-N -1 3 383.407 3.456 20 0 GGADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)no1 ZINC000264211322 566209351 /nfs/dbraw/zinc/20/93/51/566209351.db2.gz SMUQXPPVAXMAOT-UHFFFAOYSA-N -1 3 383.779 3.264 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000264254577 566210029 /nfs/dbraw/zinc/21/00/29/566210029.db2.gz BUPSKEBXERRDNA-GFCCVEGCSA-N -1 3 390.292 3.091 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)cc1Cl ZINC000264254580 566210098 /nfs/dbraw/zinc/21/00/98/566210098.db2.gz BUPSKEBXERRDNA-LBPRGKRZSA-N -1 3 390.292 3.091 20 0 GGADHM CCOc1cc(CN2CCC(N3CCCC3=O)CC2)cc(Br)c1[O-] ZINC000291379152 566218114 /nfs/dbraw/zinc/21/81/14/566218114.db2.gz ASRWXNSUUAKWAC-UHFFFAOYSA-N -1 3 397.313 3.140 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(C)o3)s2)s1 ZINC000182663702 566218345 /nfs/dbraw/zinc/21/83/45/566218345.db2.gz KJRWJXSFGYMXNL-UHFFFAOYSA-N -1 3 396.515 3.216 20 0 GGADHM CCCS(=O)(=O)[N-]c1ccc(-c2nc(Cc3csc(C)n3)no2)cc1 ZINC000264603109 566219752 /nfs/dbraw/zinc/21/97/52/566219752.db2.gz IGCUYFVYRDXDLI-UHFFFAOYSA-N -1 3 378.479 3.244 20 0 GGADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)C2CC2)s1 ZINC000182704026 566220372 /nfs/dbraw/zinc/22/03/72/566220372.db2.gz IIZUHOZQEBKEJD-OAHLLOKOSA-N -1 3 382.555 3.350 20 0 GGADHM Cc1cc(Cl)cnc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000291510647 566222643 /nfs/dbraw/zinc/22/26/43/566222643.db2.gz XFDUTXUJDYJSGY-UHFFFAOYSA-N -1 3 385.898 3.142 20 0 GGADHM O=C(NCc1cc(Br)ccc1OC(F)F)c1cccc2nn[n-]c21 ZINC000182755614 566222691 /nfs/dbraw/zinc/22/26/91/566222691.db2.gz DWIPJNGBXNEURL-UHFFFAOYSA-N -1 3 397.179 3.252 20 0 GGADHM O=C(NCc1cc(Br)ccc1OC(F)F)c1cccc2[n-]nnc21 ZINC000182755614 566222694 /nfs/dbraw/zinc/22/26/94/566222694.db2.gz DWIPJNGBXNEURL-UHFFFAOYSA-N -1 3 397.179 3.252 20 0 GGADHM O=C(NCc1cc(Br)ccc1OC(F)F)c1cccc2n[n-]nc21 ZINC000182755614 566222697 /nfs/dbraw/zinc/22/26/97/566222697.db2.gz DWIPJNGBXNEURL-UHFFFAOYSA-N -1 3 397.179 3.252 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2I)c(C)o1 ZINC000182765705 566223065 /nfs/dbraw/zinc/22/30/65/566223065.db2.gz GQJHPEHULPOQKL-UHFFFAOYSA-N -1 3 377.203 3.302 20 0 GGADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000182807161 566224949 /nfs/dbraw/zinc/22/49/49/566224949.db2.gz DQBQOLGJXHKWLG-VIFPVBQESA-N -1 3 384.723 3.178 20 0 GGADHM COC[C@H](CSc1nc2nncc-2c(O)[n-]1)c1ccc(Br)cc1 ZINC000418814353 566225334 /nfs/dbraw/zinc/22/53/34/566225334.db2.gz GCKOZZDEFUHORM-SNVBAGLBSA-N -1 3 395.282 3.343 20 0 GGADHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1ccc(SC)o1 ZINC000264870274 566226053 /nfs/dbraw/zinc/22/60/53/566226053.db2.gz QRIUEORHDXWFTO-UHFFFAOYSA-N -1 3 382.463 3.160 20 0 GGADHM O=c1[n-]c(SCc2ccc(Br)c3cccnc23)nc2[nH]ncc21 ZINC000182903492 566228708 /nfs/dbraw/zinc/22/87/08/566228708.db2.gz OFASVOIDZCAYII-UHFFFAOYSA-N -1 3 388.250 3.249 20 0 GGADHM Cc1cc(Br)c([O-])c(NC(=O)c2ccnc(OCCN(C)C)c2)c1 ZINC000182906681 566229516 /nfs/dbraw/zinc/22/95/16/566229516.db2.gz VWKQKMYRZDZKJP-UHFFFAOYSA-N -1 3 394.269 3.051 20 0 GGADHM COC(=O)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(Cl)c(F)c1 ZINC000182943440 566230896 /nfs/dbraw/zinc/23/08/96/566230896.db2.gz VLANHJQZYFPESP-INIZCTEOSA-N -1 3 386.206 3.411 20 0 GGADHM Cc1ccc(N(C)C(=O)CCc2c(C)nc(C)[n-]c2=O)c(Br)c1 ZINC000291715389 566231562 /nfs/dbraw/zinc/23/15/62/566231562.db2.gz PNXRLGBIUXEZQQ-UHFFFAOYSA-N -1 3 378.270 3.466 20 0 GGADHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000291716427 566231841 /nfs/dbraw/zinc/23/18/41/566231841.db2.gz PIQMFGTUZFKBQT-UHFFFAOYSA-N -1 3 398.472 3.082 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000419412314 566234127 /nfs/dbraw/zinc/23/41/27/566234127.db2.gz QYMALENFYOHTDS-KGLIPLIRSA-N -1 3 387.571 3.012 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C(F)(F)F)s1 ZINC000291782577 566234550 /nfs/dbraw/zinc/23/45/50/566234550.db2.gz WYAHNVRTDYZNEA-SKDRFNHKSA-N -1 3 387.470 3.100 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1nc(C(F)(F)F)cs1 ZINC000183015415 566234856 /nfs/dbraw/zinc/23/48/56/566234856.db2.gz VBYMCLMVHNQCJS-VIFPVBQESA-N -1 3 394.396 3.320 20 0 GGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000183053173 566236813 /nfs/dbraw/zinc/23/68/13/566236813.db2.gz CSVXZNZGXYTKCN-GFCCVEGCSA-N -1 3 389.249 3.455 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)CCSC)cc1OC ZINC000265473408 566237801 /nfs/dbraw/zinc/23/78/01/566237801.db2.gz LLUSZKFLUKDCCD-GFCCVEGCSA-N -1 3 389.543 3.062 20 0 GGADHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3F)nn2)s1 ZINC000183217763 566240892 /nfs/dbraw/zinc/24/08/92/566240892.db2.gz HKHDGVXKQQAZAF-UHFFFAOYSA-N -1 3 380.836 3.461 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)n[n-]1 ZINC000183279999 566242445 /nfs/dbraw/zinc/24/24/45/566242445.db2.gz DIKDEDURRLXHLR-VXGBXAGGSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)[n-]n1 ZINC000183279999 566242446 /nfs/dbraw/zinc/24/24/46/566242446.db2.gz DIKDEDURRLXHLR-VXGBXAGGSA-N -1 3 378.226 3.091 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000183260753 566242617 /nfs/dbraw/zinc/24/26/17/566242617.db2.gz OOLRITVCOMHTOO-JTQLQIEISA-N -1 3 390.889 3.106 20 0 GGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000183259147 566242696 /nfs/dbraw/zinc/24/26/96/566242696.db2.gz LPXKTODPAZZQDI-LLVKDONJSA-N -1 3 393.212 3.285 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)ccc1F ZINC000183303687 566243458 /nfs/dbraw/zinc/24/34/58/566243458.db2.gz OSXGNNVFZCVFAH-CYBMUJFWSA-N -1 3 384.395 3.430 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)cc1Cl ZINC000183308921 566243812 /nfs/dbraw/zinc/24/38/12/566243812.db2.gz QIORULQZOXZKSG-CQSZACIVSA-N -1 3 392.880 3.062 20 0 GGADHM COc1ccc(CNc2ccc3c(c2)S(=O)(=O)CC3)c(Br)c1[O-] ZINC000419770038 566244183 /nfs/dbraw/zinc/24/41/83/566244183.db2.gz LCOMAYFYZXXHCE-UHFFFAOYSA-N -1 3 398.278 3.105 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cnn(C)c2C)c(Cl)c1Cl ZINC000266074636 566245656 /nfs/dbraw/zinc/24/56/56/566245656.db2.gz APPHGHDXLQTYEH-MRVPVSSYSA-N -1 3 378.281 3.083 20 0 GGADHM COc1cc(/C=C/C(=O)N2CCOCC3(CCC3)C2)cc(Br)c1[O-] ZINC000368832200 566246195 /nfs/dbraw/zinc/24/61/95/566246195.db2.gz COJBCUJHCAWRIU-ONEGZZNKSA-N -1 3 396.281 3.206 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000183408803 566246210 /nfs/dbraw/zinc/24/62/10/566246210.db2.gz JSQBXTGGDAEWCQ-UHFFFAOYSA-N -1 3 394.287 3.179 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000266189075 566246876 /nfs/dbraw/zinc/24/68/76/566246876.db2.gz UINRGBUNIWQIFN-SMDDNHRTSA-N -1 3 384.910 3.042 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)s1 ZINC000368994012 566248671 /nfs/dbraw/zinc/24/86/71/566248671.db2.gz XECXSGRSOXAXOX-AWEZNQCLSA-N -1 3 394.499 3.059 20 0 GGADHM CS(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000534704597 566250974 /nfs/dbraw/zinc/25/09/74/566250974.db2.gz IUAJCZRSHOEAKY-UHFFFAOYSA-N -1 3 383.853 3.247 20 0 GGADHM CO[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000462122380 566251112 /nfs/dbraw/zinc/25/11/12/566251112.db2.gz SXHZKBWLOSCHDK-CYBMUJFWSA-N -1 3 382.707 3.196 20 0 GGADHM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000419932431 566252621 /nfs/dbraw/zinc/25/26/21/566252621.db2.gz DVDAQXKVZMHZKJ-LLVKDONJSA-N -1 3 396.241 3.427 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)cc1Cl)c1ccc(Br)cn1 ZINC000462132733 566253081 /nfs/dbraw/zinc/25/30/81/566253081.db2.gz GQGRGOYXIIOOBG-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1ccc(Cl)c(C)c1 ZINC000462132603 566253712 /nfs/dbraw/zinc/25/37/12/566253712.db2.gz RAWTWLXXKOBRJQ-UHFFFAOYSA-N -1 3 387.910 3.326 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c(Br)c1 ZINC000481812687 566253903 /nfs/dbraw/zinc/25/39/03/566253903.db2.gz HOCPJBZSTQYLFU-UHFFFAOYSA-N -1 3 396.266 3.443 20 0 GGADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2nc(C)cs2)[nH][n-]1 ZINC000444826304 566254708 /nfs/dbraw/zinc/25/47/08/566254708.db2.gz ZNSRROPGYGNDBQ-UHFFFAOYSA-N -1 3 376.869 3.497 20 0 GGADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1ccc(Br)cn1 ZINC000462140622 566254653 /nfs/dbraw/zinc/25/46/53/566254653.db2.gz QANGEVWPZNGHDM-UHFFFAOYSA-N -1 3 387.686 3.465 20 0 GGADHM Cc1ccc(-c2csc3[n-]c(CSc4n[nH]c(CO)n4)nc(=O)c23)s1 ZINC000555865498 566254763 /nfs/dbraw/zinc/25/47/63/566254763.db2.gz BTHUUTSOXFTUPH-UHFFFAOYSA-N -1 3 391.503 3.337 20 0 GGADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccncc3C)ccc2s1 ZINC000481818521 566255237 /nfs/dbraw/zinc/25/52/37/566255237.db2.gz XJPPYMLFMLWROG-UHFFFAOYSA-N -1 3 376.459 3.004 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)cs1 ZINC000462149816 566255669 /nfs/dbraw/zinc/25/56/69/566255669.db2.gz GQMMNEKUNWUQTA-VIFPVBQESA-N -1 3 388.898 3.185 20 0 GGADHM CC[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000462144120 566256159 /nfs/dbraw/zinc/25/61/59/566256159.db2.gz XXEPSGFVVOKSPO-LBPRGKRZSA-N -1 3 378.460 3.283 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000534829545 566257577 /nfs/dbraw/zinc/25/75/77/566257577.db2.gz NJVJURROXSSETG-GFCCVEGCSA-N -1 3 387.832 3.455 20 0 GGADHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000462155997 566257920 /nfs/dbraw/zinc/25/79/20/566257920.db2.gz GAEPXWMAMSSQQV-CQSZACIVSA-N -1 3 383.491 3.363 20 0 GGADHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)s1 ZINC000444893857 566257937 /nfs/dbraw/zinc/25/79/37/566257937.db2.gz HDLPCVHNTJBXMD-LURJTMIESA-N -1 3 395.229 3.150 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ncccc1Cl ZINC000555889759 566258853 /nfs/dbraw/zinc/25/88/53/566258853.db2.gz KRCOTPFPPZVDAU-UHFFFAOYSA-N -1 3 393.774 3.378 20 0 GGADHM O=C(CCC(=O)c1ccc(F)cc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000509071985 566259355 /nfs/dbraw/zinc/25/93/55/566259355.db2.gz SVRRGWNLHOJSRF-UHFFFAOYSA-N -1 3 390.212 3.259 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCN1C ZINC000481902176 566260925 /nfs/dbraw/zinc/26/09/25/566260925.db2.gz GOKIQRWXUSVYGP-ZJUUUORDSA-N -1 3 383.880 3.024 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481893793 566260970 /nfs/dbraw/zinc/26/09/70/566260970.db2.gz UKQZGWXFMQVXFQ-UHFFFAOYSA-N -1 3 385.800 3.001 20 0 GGADHM O=C(CCCc1ccccc1Br)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481900914 566261449 /nfs/dbraw/zinc/26/14/49/566261449.db2.gz ZEUGPXFZEZIXLE-UHFFFAOYSA-N -1 3 391.191 3.225 20 0 GGADHM O=C(CCCc1ccccc1Br)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481900914 566261455 /nfs/dbraw/zinc/26/14/55/566261455.db2.gz ZEUGPXFZEZIXLE-UHFFFAOYSA-N -1 3 391.191 3.225 20 0 GGADHM O=C(CCCc1ccccc1Br)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481900914 566261461 /nfs/dbraw/zinc/26/14/61/566261461.db2.gz ZEUGPXFZEZIXLE-UHFFFAOYSA-N -1 3 391.191 3.225 20 0 GGADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000509076659 566261458 /nfs/dbraw/zinc/26/14/58/566261458.db2.gz XCQBVJSXOOZCBO-ZDUSSCGKSA-N -1 3 377.491 3.377 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000509082327 566261570 /nfs/dbraw/zinc/26/15/70/566261570.db2.gz MAMRCRHUKBUSFZ-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(c1ccsc1)C1CCCCC1 ZINC000555945763 566261641 /nfs/dbraw/zinc/26/16/41/566261641.db2.gz LXQHXUUFTDNHPI-UHFFFAOYSA-N -1 3 383.495 3.176 20 0 GGADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(c1ccsc1)C1CCCCC1 ZINC000555945763 566261649 /nfs/dbraw/zinc/26/16/49/566261649.db2.gz LXQHXUUFTDNHPI-UHFFFAOYSA-N -1 3 383.495 3.176 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc3c(c2)nc(C)n3C2CC2)s1 ZINC000555947045 566261982 /nfs/dbraw/zinc/26/19/82/566261982.db2.gz COSTYTFMSWHATB-UHFFFAOYSA-N -1 3 376.507 3.231 20 0 GGADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481884563 566261989 /nfs/dbraw/zinc/26/19/89/566261989.db2.gz WQDSSEOELTZNDY-UHFFFAOYSA-N -1 3 381.837 3.252 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481906196 566262822 /nfs/dbraw/zinc/26/28/22/566262822.db2.gz RIPDQGQPOBHCDX-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481906196 566262830 /nfs/dbraw/zinc/26/28/30/566262830.db2.gz RIPDQGQPOBHCDX-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481906196 566262836 /nfs/dbraw/zinc/26/28/36/566262836.db2.gz RIPDQGQPOBHCDX-ZCFIWIBFSA-N -1 3 383.157 3.214 20 0 GGADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(F)c(C(F)(F)F)c1 ZINC000481915979 566263525 /nfs/dbraw/zinc/26/35/25/566263525.db2.gz ARXSSFUZVISCCO-UHFFFAOYSA-N -1 3 399.163 3.225 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(OCc2cscn2)c1 ZINC000599426424 566263865 /nfs/dbraw/zinc/26/38/65/566263865.db2.gz UUBUVULOAGLEMT-UHFFFAOYSA-N -1 3 396.412 3.043 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCCN1c1ccccc1F ZINC000534905120 566264095 /nfs/dbraw/zinc/26/40/95/566264095.db2.gz OKKJYFYOPVCDEU-NSHDSACASA-N -1 3 388.873 3.015 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3cccnc3)s2)c1 ZINC000534907588 566264205 /nfs/dbraw/zinc/26/42/05/566264205.db2.gz HNFZMHIYUWECLD-UHFFFAOYSA-N -1 3 377.422 3.000 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCC1 ZINC000575238787 566264524 /nfs/dbraw/zinc/26/45/24/566264524.db2.gz VVIZLNYQQTXSQJ-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481932239 566264429 /nfs/dbraw/zinc/26/44/29/566264429.db2.gz BPRJUYIFYCKZDN-LBPRGKRZSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481932239 566264435 /nfs/dbraw/zinc/26/44/35/566264435.db2.gz BPRJUYIFYCKZDN-LBPRGKRZSA-N -1 3 376.766 3.197 20 0 GGADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481932239 566264444 /nfs/dbraw/zinc/26/44/44/566264444.db2.gz BPRJUYIFYCKZDN-LBPRGKRZSA-N -1 3 376.766 3.197 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2Cl)cc1F ZINC000445043630 566264945 /nfs/dbraw/zinc/26/49/45/566264945.db2.gz YFMNUZBLXDTQIO-VIFPVBQESA-N -1 3 389.807 3.444 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)cc1F ZINC000445029963 566265101 /nfs/dbraw/zinc/26/51/01/566265101.db2.gz DNYREBOBFBDVIX-GFCCVEGCSA-N -1 3 383.466 3.071 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481928579 566265449 /nfs/dbraw/zinc/26/54/49/566265449.db2.gz SAAFHFRLXXCLOS-QMMMGPOBSA-N -1 3 391.191 3.081 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481928579 566265458 /nfs/dbraw/zinc/26/54/58/566265458.db2.gz SAAFHFRLXXCLOS-QMMMGPOBSA-N -1 3 391.191 3.081 20 0 GGADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481928579 566265464 /nfs/dbraw/zinc/26/54/64/566265464.db2.gz SAAFHFRLXXCLOS-QMMMGPOBSA-N -1 3 391.191 3.081 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)cc1F ZINC000445064072 566265906 /nfs/dbraw/zinc/26/59/06/566265906.db2.gz XLYGLIPZTADGDQ-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)cc1F ZINC000445053147 566266369 /nfs/dbraw/zinc/26/63/69/566266369.db2.gz AQDJZIATIQZOBQ-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)cc1F ZINC000445063166 566267035 /nfs/dbraw/zinc/26/70/35/566267035.db2.gz XZOTZSHQEPZCIP-UHFFFAOYSA-N -1 3 383.828 3.233 20 0 GGADHM Cc1cc(OCCCC(=O)NCc2nnc(C(F)(F)F)[n-]2)ccc1Cl ZINC000481934175 566267086 /nfs/dbraw/zinc/26/70/86/566267086.db2.gz SXNOFRGYSGXCQK-UHFFFAOYSA-N -1 3 376.766 3.261 20 0 GGADHM Cc1cc(OCCCC(=O)NCc2n[n-]c(C(F)(F)F)n2)ccc1Cl ZINC000481934175 566267093 /nfs/dbraw/zinc/26/70/93/566267093.db2.gz SXNOFRGYSGXCQK-UHFFFAOYSA-N -1 3 376.766 3.261 20 0 GGADHM Cc1cc(OCCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1Cl ZINC000481934175 566267096 /nfs/dbraw/zinc/26/70/96/566267096.db2.gz SXNOFRGYSGXCQK-UHFFFAOYSA-N -1 3 376.766 3.261 20 0 GGADHM COCCS(=O)(=O)[N-]c1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000534974083 566267280 /nfs/dbraw/zinc/26/72/80/566267280.db2.gz LKACMNFZOCXBIE-UHFFFAOYSA-N -1 3 382.187 3.323 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000509144431 566267649 /nfs/dbraw/zinc/26/76/49/566267649.db2.gz PSEPNTGGMPWNJW-LBPRGKRZSA-N -1 3 379.243 3.163 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000534975178 566267582 /nfs/dbraw/zinc/26/75/82/566267582.db2.gz CLWKFQDSDWIWDS-ZETCQYMHSA-N -1 3 382.795 3.079 20 0 GGADHM CN(CCCNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000481948601 566267666 /nfs/dbraw/zinc/26/76/66/566267666.db2.gz RZRMQYQBGCNKRR-UHFFFAOYSA-N -1 3 392.297 3.480 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cc(O)ccc2Cl)CC1)c1cccs1 ZINC000625053306 566270908 /nfs/dbraw/zinc/27/09/08/566270908.db2.gz VIMQYNJEOUCRJW-UHFFFAOYSA-N -1 3 386.926 3.050 20 0 GGADHM COCCCn1ccc(NC(=O)c2cc3cc(Br)sc3[n-]2)n1 ZINC000668840503 566271391 /nfs/dbraw/zinc/27/13/91/566271391.db2.gz FLIBYKVSDSJAMC-UHFFFAOYSA-N -1 3 383.271 3.477 20 0 GGADHM CSc1cccc(S(=O)(=O)[N-][C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 ZINC000509187410 566272404 /nfs/dbraw/zinc/27/24/04/566272404.db2.gz PKZUEUFNFXOKGP-CQSZACIVSA-N -1 3 393.456 3.341 20 0 GGADHM [O-]c1ccc(Br)c(CN2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000668873976 566272405 /nfs/dbraw/zinc/27/24/05/566272405.db2.gz BKPKCKKBKQUCIH-UHFFFAOYSA-N -1 3 389.297 3.103 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC(C)(C)C)cc1 ZINC000462275222 566273583 /nfs/dbraw/zinc/27/35/83/566273583.db2.gz GDNMBTRPCXSOFC-UHFFFAOYSA-N -1 3 390.571 3.285 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(C)(C)C ZINC000462278992 566274089 /nfs/dbraw/zinc/27/40/89/566274089.db2.gz OAYZVNGKGGZTRY-ZDUSSCGKSA-N -1 3 392.315 3.339 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000625076656 566274287 /nfs/dbraw/zinc/27/42/87/566274287.db2.gz DLXHWTVJWIXUNZ-UHFFFAOYSA-N -1 3 394.306 3.382 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000625093000 566275411 /nfs/dbraw/zinc/27/54/11/566275411.db2.gz ZBXXKOLDFQAKCE-MRVPVSSYSA-N -1 3 379.290 3.360 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1C[C@H](C)O[C@@H](C)C1 ZINC000625100031 566275586 /nfs/dbraw/zinc/27/55/86/566275586.db2.gz JWSHWADIPOVLKS-UWVGGRQHSA-N -1 3 380.279 3.131 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000625100022 566276124 /nfs/dbraw/zinc/27/61/24/566276124.db2.gz JWSHWADIPOVLKS-JGPRNRPPSA-N -1 3 380.279 3.131 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C)CCCC2)c(Br)c1 ZINC000462292662 566276956 /nfs/dbraw/zinc/27/69/56/566276956.db2.gz FMUYAEFQZOBGPZ-UHFFFAOYSA-N -1 3 390.299 3.094 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1nc(C)cs1 ZINC000462291920 566276988 /nfs/dbraw/zinc/27/69/88/566276988.db2.gz GRADZMVHIRTLMU-SNVBAGLBSA-N -1 3 376.301 3.039 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)C)C1 ZINC000625106858 566277356 /nfs/dbraw/zinc/27/73/56/566277356.db2.gz POEAONPCBUJSDW-FZMZJTMJSA-N -1 3 394.306 3.379 20 0 GGADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)s1 ZINC000625118437 566277401 /nfs/dbraw/zinc/27/74/01/566277401.db2.gz IWGIFBTYDPCPCB-SSDOTTSWSA-N -1 3 394.291 3.096 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN(C)CC(F)(F)F)c1Cl ZINC000482015950 566277613 /nfs/dbraw/zinc/27/76/13/566277613.db2.gz GVAHGCMWUSPGMY-UHFFFAOYSA-N -1 3 379.231 3.074 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)c1 ZINC000509213484 566277873 /nfs/dbraw/zinc/27/78/73/566277873.db2.gz VOIPJQYIEPJXHL-UHFFFAOYSA-N -1 3 375.837 3.049 20 0 GGADHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462299786 566278132 /nfs/dbraw/zinc/27/81/32/566278132.db2.gz UDDQIURONNRTLA-UHFFFAOYSA-N -1 3 399.310 3.152 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](C)c2ccc(OC)cc2)s1 ZINC000462301306 566278346 /nfs/dbraw/zinc/27/83/46/566278346.db2.gz VUKOCFXLCMBCLW-GFCCVEGCSA-N -1 3 383.491 3.015 20 0 GGADHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482055052 566278893 /nfs/dbraw/zinc/27/88/93/566278893.db2.gz XFPOSSPIFKZWOV-GJZGRUSLSA-N -1 3 395.301 3.234 20 0 GGADHM CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000648405796 566278933 /nfs/dbraw/zinc/27/89/33/566278933.db2.gz VUAXLEFZTNZHCV-NSHDSACASA-N -1 3 381.527 3.307 20 0 GGADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCOC(C)C ZINC000625123341 566278975 /nfs/dbraw/zinc/27/89/75/566278975.db2.gz RDDPHLFJVGIFDM-UHFFFAOYSA-N -1 3 382.295 3.380 20 0 GGADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1c(F)cncc1F ZINC000482052631 566279227 /nfs/dbraw/zinc/27/92/27/566279227.db2.gz SWISJCLBIMNKFV-MRVPVSSYSA-N -1 3 396.195 3.075 20 0 GGADHM CC(C)O[C@@H]1C[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482053896 566279673 /nfs/dbraw/zinc/27/96/73/566279673.db2.gz VHUITZAROSXDDK-UONOGXRCSA-N -1 3 395.301 3.232 20 0 GGADHM CC(C)O[C@H]1C[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482053894 566279773 /nfs/dbraw/zinc/27/97/73/566279773.db2.gz VHUITZAROSXDDK-KGLIPLIRSA-N -1 3 395.301 3.232 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1nc2c(s1)CCC2 ZINC000575732822 566279881 /nfs/dbraw/zinc/27/98/81/566279881.db2.gz KTZUBMPZYVXOTG-MRVPVSSYSA-N -1 3 392.424 3.412 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCCNc1ccccc1 ZINC000482078219 566280726 /nfs/dbraw/zinc/28/07/26/566280726.db2.gz PUHXZKHPNYMGQC-UHFFFAOYSA-N -1 3 388.269 3.142 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C12CCC2 ZINC000462318962 566281038 /nfs/dbraw/zinc/28/10/38/566281038.db2.gz GERBINVBYLKDHJ-KBPBESRZSA-N -1 3 392.290 3.214 20 0 GGADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000462317507 566281515 /nfs/dbraw/zinc/28/15/15/566281515.db2.gz BQYJXCCDHQENOQ-LBPRGKRZSA-N -1 3 399.310 3.325 20 0 GGADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)N(C)C)c1 ZINC000535157019 566282412 /nfs/dbraw/zinc/28/24/12/566282412.db2.gz XRVJAZOSTQKXRL-QGZVFWFLSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)N2CCCC2)o1 ZINC000535159100 566282430 /nfs/dbraw/zinc/28/24/30/566282430.db2.gz JPLQPLSSAWLXNN-INIZCTEOSA-N -1 3 386.876 3.496 20 0 GGADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000648431239 566282450 /nfs/dbraw/zinc/28/24/50/566282450.db2.gz NKKZPYGDJRHMFS-UFBFGSQYSA-N -1 3 393.818 3.471 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ncsc1C(F)(F)F ZINC000648431804 566282586 /nfs/dbraw/zinc/28/25/86/566282586.db2.gz FGFKNILDXISIDZ-UHFFFAOYSA-N -1 3 378.685 3.248 20 0 GGADHM CO[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482082619 566282623 /nfs/dbraw/zinc/28/26/23/566282623.db2.gz YQOZBIAPZPLVIN-OAHLLOKOSA-N -1 3 389.253 3.028 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCc2cc(F)ccc21 ZINC000482082489 566282893 /nfs/dbraw/zinc/28/28/93/566282893.db2.gz YDZHHJRTEICHQQ-HNNXBMFYSA-N -1 3 389.228 3.467 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H](c1cccnc1)C1CC1 ZINC000482084714 566283230 /nfs/dbraw/zinc/28/32/30/566283230.db2.gz PPRWYBWVYSPZDW-INIZCTEOSA-N -1 3 386.253 3.187 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)N2CCCC2)o1 ZINC000535159101 566283721 /nfs/dbraw/zinc/28/37/21/566283721.db2.gz JPLQPLSSAWLXNN-MRXNPFEDSA-N -1 3 386.876 3.496 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1cccs1 ZINC000575789380 566284322 /nfs/dbraw/zinc/28/43/22/566284322.db2.gz QEMFLUHFOYUVGI-HNNXBMFYSA-N -1 3 382.532 3.396 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC000462327569 566284227 /nfs/dbraw/zinc/28/42/27/566284227.db2.gz OUEVZBFLXWEATH-KBPBESRZSA-N -1 3 381.391 3.471 20 0 GGADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC000462327570 566284283 /nfs/dbraw/zinc/28/42/83/566284283.db2.gz OUEVZBFLXWEATH-KGLIPLIRSA-N -1 3 381.391 3.471 20 0 GGADHM CN(C)[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc(Cl)c1 ZINC000648432344 566284331 /nfs/dbraw/zinc/28/43/31/566284331.db2.gz YSDPCDDNYOGJQY-LBPRGKRZSA-N -1 3 395.212 3.416 20 0 GGADHM COC1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCC1 ZINC000556328676 566284815 /nfs/dbraw/zinc/28/48/15/566284815.db2.gz IOMORJBMXFOFLR-UHFFFAOYSA-N -1 3 376.214 3.310 20 0 GGADHM COC1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCC1 ZINC000556328676 566284821 /nfs/dbraw/zinc/28/48/21/566284821.db2.gz IOMORJBMXFOFLR-UHFFFAOYSA-N -1 3 376.214 3.310 20 0 GGADHM COC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1 ZINC000556328676 566284831 /nfs/dbraw/zinc/28/48/31/566284831.db2.gz IOMORJBMXFOFLR-UHFFFAOYSA-N -1 3 376.214 3.310 20 0 GGADHM COC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482106943 566284816 /nfs/dbraw/zinc/28/48/16/566284816.db2.gz URZKPQZRULHZQD-HNNXBMFYSA-N -1 3 389.253 3.028 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCc2cccc(F)c2C1 ZINC000482110810 566284855 /nfs/dbraw/zinc/28/48/55/566284855.db2.gz BFKPIIPNULASLP-UHFFFAOYSA-N -1 3 389.228 3.248 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C12CCC2 ZINC000462328342 566284953 /nfs/dbraw/zinc/28/49/53/566284953.db2.gz ROQFIMWIOPXGPA-KBPBESRZSA-N -1 3 392.290 3.214 20 0 GGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113541 566285192 /nfs/dbraw/zinc/28/51/92/566285192.db2.gz LJTMXHPVMBBPBR-LDYMZIIASA-N -1 3 391.191 3.323 20 0 GGADHM Cn1cc(Br)c(=NC(=O)C2(c3ccc(Br)cc3)CC2)[n-]1 ZINC000648439101 566285344 /nfs/dbraw/zinc/28/53/44/566285344.db2.gz YTNZBACTUOOMNF-UHFFFAOYSA-N -1 3 399.086 3.037 20 0 GGADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509265320 566285503 /nfs/dbraw/zinc/28/55/03/566285503.db2.gz UYDGGRSKNRIZHR-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM CC(C)COC1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482116477 566285569 /nfs/dbraw/zinc/28/55/69/566285569.db2.gz YZAOLFUFEABJDV-UHFFFAOYSA-N -1 3 395.301 3.188 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1cccs1 ZINC000575789382 566285621 /nfs/dbraw/zinc/28/56/21/566285621.db2.gz QEMFLUHFOYUVGI-OAHLLOKOSA-N -1 3 382.532 3.396 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(F)cc1F ZINC000462335659 566286007 /nfs/dbraw/zinc/28/60/07/566286007.db2.gz PDJUTIDPXXQELM-CYBMUJFWSA-N -1 3 375.418 3.243 20 0 GGADHM COc1cc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1C ZINC000482142917 566286228 /nfs/dbraw/zinc/28/62/28/566286228.db2.gz QOZAAORENHBPFZ-UHFFFAOYSA-N -1 3 389.253 3.157 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CSc2ccccc21 ZINC000482136190 566287127 /nfs/dbraw/zinc/28/71/27/566287127.db2.gz AMVBAXUANMWGOX-CYBMUJFWSA-N -1 3 389.278 3.487 20 0 GGADHM COC(=O)c1cc(Br)cc(C(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000462340484 566287699 /nfs/dbraw/zinc/28/76/99/566287699.db2.gz YBPLHICMYMDLPL-UHFFFAOYSA-N -1 3 380.194 3.202 20 0 GGADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1ccc(Br)cn1 ZINC000462340226 566287857 /nfs/dbraw/zinc/28/78/57/566287857.db2.gz LBIXTXQHWWBIBT-OAHLLOKOSA-N -1 3 381.295 3.144 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cn1)Cc1ccccc1 ZINC000462344113 566288179 /nfs/dbraw/zinc/28/81/79/566288179.db2.gz BUJGBLAEAZLDKQ-UHFFFAOYSA-N -1 3 383.311 3.391 20 0 GGADHM CCCCN(c1ccccc1)S(=O)(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000556350159 566289038 /nfs/dbraw/zinc/28/90/38/566289038.db2.gz UDQFUJHZXAYIGK-UHFFFAOYSA-N -1 3 382.507 3.054 20 0 GGADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc2n[nH]cc2c1 ZINC000482162245 566289042 /nfs/dbraw/zinc/28/90/42/566289042.db2.gz ZEJUDMGOJWWZRF-JTQLQIEISA-N -1 3 399.252 3.278 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1(C)C ZINC000482170736 566289277 /nfs/dbraw/zinc/28/92/77/566289277.db2.gz RQOVVTKBEBVZCM-UONOGXRCSA-N -1 3 395.301 3.186 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCCc1cccc(F)c1 ZINC000482166853 566289314 /nfs/dbraw/zinc/28/93/14/566289314.db2.gz GJXCRXKAEKFNMH-UHFFFAOYSA-N -1 3 391.244 3.412 20 0 GGADHM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599720662 566289605 /nfs/dbraw/zinc/28/96/05/566289605.db2.gz IIVJLACWQILQTF-LBPRGKRZSA-N -1 3 384.270 3.350 20 0 GGADHM O=S(=O)([N-]CC1Cc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000462354429 566289681 /nfs/dbraw/zinc/28/96/81/566289681.db2.gz CUAVPQAXPAKBNU-UHFFFAOYSA-N -1 3 384.270 3.282 20 0 GGADHM CN(Cc1ccccc1F)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482183885 566290208 /nfs/dbraw/zinc/29/02/08/566290208.db2.gz IBGOGMOPIVRRBE-UHFFFAOYSA-N -1 3 377.217 3.322 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccsc2Br)c(F)c1 ZINC000509337444 566291462 /nfs/dbraw/zinc/29/14/62/566291462.db2.gz JZFITAWPOPJVFJ-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420660656 566292422 /nfs/dbraw/zinc/29/24/22/566292422.db2.gz KQGCBYNICWMYCC-ZETCQYMHSA-N -1 3 397.749 3.187 20 0 GGADHM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)cc1 ZINC000420646560 566293080 /nfs/dbraw/zinc/29/30/80/566293080.db2.gz KZMLVYFQRHXTMJ-UHFFFAOYSA-N -1 3 375.368 3.093 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509351754 566293534 /nfs/dbraw/zinc/29/35/34/566293534.db2.gz STSFIVCVBMEBFF-UWVGGRQHSA-N -1 3 382.707 3.338 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420661276 566293799 /nfs/dbraw/zinc/29/37/99/566293799.db2.gz 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ZINC000482231841 566294692 /nfs/dbraw/zinc/29/46/92/566294692.db2.gz XUBKCUGKUZEYBI-NXEZZACHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000482231841 566294702 /nfs/dbraw/zinc/29/47/02/566294702.db2.gz XUBKCUGKUZEYBI-NXEZZACHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000482231841 566294709 /nfs/dbraw/zinc/29/47/09/566294709.db2.gz XUBKCUGKUZEYBI-NXEZZACHSA-N -1 3 389.175 3.006 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)c(Br)c1 ZINC000482218722 566294902 /nfs/dbraw/zinc/29/49/02/566294902.db2.gz VMGVSKIOZVCJBA-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)c(Br)c1 ZINC000482218722 566294908 /nfs/dbraw/zinc/29/49/08/566294908.db2.gz VMGVSKIOZVCJBA-UHFFFAOYSA-N -1 3 383.555 3.169 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)c(Br)c1 ZINC000482218722 566294913 /nfs/dbraw/zinc/29/49/13/566294913.db2.gz VMGVSKIOZVCJBA-UHFFFAOYSA-N -1 3 383.555 3.169 20 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/nfs/dbraw/zinc/30/59/19/566305919.db2.gz QLLBIJAQZMADHA-KRWDZBQOSA-N -1 3 387.860 3.295 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCCCC1 ZINC000462457013 566306076 /nfs/dbraw/zinc/30/60/76/566306076.db2.gz YLOXPAFNYBPECU-UHFFFAOYSA-N -1 3 396.292 3.156 20 0 GGADHM Cc1cc(CCNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1Cl ZINC000462458302 566306494 /nfs/dbraw/zinc/30/64/94/566306494.db2.gz YKXUAVTUNGYNTI-UHFFFAOYSA-N -1 3 384.860 3.132 20 0 GGADHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000535456750 566306555 /nfs/dbraw/zinc/30/65/55/566306555.db2.gz YVKUAJQQSQERCE-IUODEOHRSA-N -1 3 379.400 3.106 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1cc(Cl)ccc1OC(F)F ZINC000420713517 566306563 /nfs/dbraw/zinc/30/65/63/566306563.db2.gz XYCMENYZACOBEZ-RKDXNWHRSA-N -1 3 391.770 3.380 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)c1 ZINC000445725166 566306865 /nfs/dbraw/zinc/30/68/65/566306865.db2.gz OQRHDRDNTBVPPA-CYBMUJFWSA-N -1 3 385.379 3.258 20 0 GGADHM CC[C@@H](CS(=O)(=O)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)OC ZINC000420712487 566307032 /nfs/dbraw/zinc/30/70/32/566307032.db2.gz STRVLIFUCPLJNE-DLBZAZTESA-N -1 3 375.918 3.152 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2ccccc2)s1 ZINC000462469591 566307110 /nfs/dbraw/zinc/30/71/10/566307110.db2.gz BVWAWVGZPYHSLO-UHFFFAOYSA-N -1 3 376.297 3.176 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)cc1 ZINC000462470484 566307345 /nfs/dbraw/zinc/30/73/45/566307345.db2.gz ZPPCZWRFANAWLW-UHFFFAOYSA-N -1 3 390.324 3.349 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000420720921 566307828 /nfs/dbraw/zinc/30/78/28/566307828.db2.gz SWSOQLYGOMHONM-UHFFFAOYSA-N -1 3 387.929 3.492 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OC ZINC000462462611 566308207 /nfs/dbraw/zinc/30/82/07/566308207.db2.gz DPONYSRGZQZHBC-AWEZNQCLSA-N -1 3 384.281 3.012 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)c(Br)c1 ZINC000462476060 566309029 /nfs/dbraw/zinc/30/90/29/566309029.db2.gz RGCHWRYIIVFYBA-GXFFZTMASA-N -1 3 390.299 3.093 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C)c(Br)c1 ZINC000462476061 566309184 /nfs/dbraw/zinc/30/91/84/566309184.db2.gz RGCHWRYIIVFYBA-MFKMUULPSA-N -1 3 390.299 3.093 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c(Br)c1 ZINC000462476059 566309912 /nfs/dbraw/zinc/30/99/12/566309912.db2.gz RGCHWRYIIVFYBA-GWCFXTLKSA-N -1 3 390.299 3.093 20 0 GGADHM CCC[C@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)OCC ZINC000625333235 566310009 /nfs/dbraw/zinc/31/00/09/566310009.db2.gz MTSRQWJXVHKXSP-SNVBAGLBSA-N -1 3 398.294 3.080 20 0 GGADHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000445745410 566310133 /nfs/dbraw/zinc/31/01/33/566310133.db2.gz RZYJFGVIQONMHR-UHFFFAOYSA-N -1 3 399.310 3.152 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(CSC)c1 ZINC000445761944 566310259 /nfs/dbraw/zinc/31/02/59/566310259.db2.gz YYRBDIUBIXJLFD-UHFFFAOYSA-N -1 3 399.921 3.468 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)[C@H]2CCCO[C@H]21 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388.461 3.059 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)s1 ZINC000462494716 566312516 /nfs/dbraw/zinc/31/25/16/566312516.db2.gz HKXYOVZQCFGRNE-UHFFFAOYSA-N -1 3 397.266 3.279 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)nc1 ZINC000420742822 566312639 /nfs/dbraw/zinc/31/26/39/566312639.db2.gz CZERRYQIQFNEQV-UHFFFAOYSA-N -1 3 376.812 3.166 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)o1 ZINC000420739014 566312667 /nfs/dbraw/zinc/31/26/67/566312667.db2.gz YBMZEOQSARNISR-UHFFFAOYSA-N -1 3 380.800 3.279 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c1 ZINC000420744066 566313017 /nfs/dbraw/zinc/31/30/17/566313017.db2.gz XLWJKJDCCUMXKG-GFCCVEGCSA-N -1 3 375.418 3.210 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@H]2CCCO[C@H]21 ZINC000462494072 566312887 /nfs/dbraw/zinc/31/28/87/566312887.db2.gz XHDQNLXHWSOIEY-LERXQTSPSA-N -1 3 381.391 3.326 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)c(F)c1 ZINC000462493836 566313282 /nfs/dbraw/zinc/31/32/82/566313282.db2.gz VYPFUVHQPCQQPF-LRDDRELGSA-N -1 3 384.270 3.498 20 0 GGADHM O=S(=O)([N-]CCN[C@@H]1CCc2c1cccc2F)c1ccc(F)cc1Cl ZINC000509516315 566313325 /nfs/dbraw/zinc/31/33/25/566313325.db2.gz NWJRPGUQOADIHH-MRXNPFEDSA-N -1 3 386.851 3.174 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2ccc(F)cc21)c1ccc(F)cc1Cl ZINC000509521796 566313426 /nfs/dbraw/zinc/31/34/26/566313426.db2.gz GYVFEZSBRHVNKT-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM O=S(=O)([N-]CCN[C@H]1CCc2c1cccc2F)c1ccc(F)cc1Cl ZINC000509516314 566313583 /nfs/dbraw/zinc/31/35/83/566313583.db2.gz NWJRPGUQOADIHH-INIZCTEOSA-N -1 3 386.851 3.174 20 0 GGADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420743205 566313611 /nfs/dbraw/zinc/31/36/11/566313611.db2.gz DPTABHVFPMBVBM-UHFFFAOYSA-N -1 3 382.841 3.227 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)s1 ZINC000420743526 566313661 /nfs/dbraw/zinc/31/36/61/566313661.db2.gz WQOIYQNPANYQJT-AWEZNQCLSA-N -1 3 388.461 3.059 20 0 GGADHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462504281 566313962 /nfs/dbraw/zinc/31/39/62/566313962.db2.gz MTWAYXKGYKNQLS-LBPRGKRZSA-N -1 3 399.310 3.152 20 0 GGADHM O=S(=O)([N-]CCNc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1Cl ZINC000509527766 566314518 /nfs/dbraw/zinc/31/45/18/566314518.db2.gz UCYVGZTWOUDHKS-UHFFFAOYSA-N -1 3 397.781 3.283 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c(Cl)c1Cl ZINC000462505041 566314755 /nfs/dbraw/zinc/31/47/55/566314755.db2.gz PFBXWIIDUWWKNH-LBPRGKRZSA-N -1 3 395.352 3.401 20 0 GGADHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000462515103 566315510 /nfs/dbraw/zinc/31/55/10/566315510.db2.gz SCJWOMLUIJXJEG-UHFFFAOYSA-N -1 3 383.311 3.409 20 0 GGADHM COC1([C@H](C)[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CCOCC1 ZINC000420760124 566315997 /nfs/dbraw/zinc/31/59/97/566315997.db2.gz IWMIHNGUEIRWHO-LBPRGKRZSA-N -1 3 387.885 3.257 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Cl)c1)Oc1cc(F)cc(F)c1 ZINC000509573296 566316231 /nfs/dbraw/zinc/31/62/31/566316231.db2.gz FPFYVQVPVZLMDL-UHFFFAOYSA-N -1 3 376.812 3.149 20 0 GGADHM O=C([O-])c1cnn(C2CCN(CCOc3ccc(Br)cc3)CC2)c1 ZINC000576115152 566316510 /nfs/dbraw/zinc/31/65/10/566316510.db2.gz NFDXTJKQOUWNKK-UHFFFAOYSA-N -1 3 394.269 3.060 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2c(F)cccc2SC)cc1OC ZINC000509577933 566317137 /nfs/dbraw/zinc/31/71/37/566317137.db2.gz DWWYJQHMKVFNRU-UHFFFAOYSA-N -1 3 389.445 3.182 20 0 GGADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nn1 ZINC000420766615 566317302 /nfs/dbraw/zinc/31/73/02/566317302.db2.gz SSFPMKPFIXKKQR-UHFFFAOYSA-N -1 3 376.404 3.091 20 0 GGADHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000445887496 566317464 /nfs/dbraw/zinc/31/74/64/566317464.db2.gz QSVPAYWMMKWJNW-AWEZNQCLSA-N -1 3 378.270 3.463 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000509583631 566317538 /nfs/dbraw/zinc/31/75/38/566317538.db2.gz AAXJVYDZKVHSCW-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000445887497 566317944 /nfs/dbraw/zinc/31/79/44/566317944.db2.gz QSVPAYWMMKWJNW-CQSZACIVSA-N -1 3 378.270 3.463 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1c(F)cccc1SC ZINC000509581171 566318043 /nfs/dbraw/zinc/31/80/43/566318043.db2.gz YVEWLYJFAPSOPQ-UHFFFAOYSA-N -1 3 389.495 3.183 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000576131459 566318447 /nfs/dbraw/zinc/31/84/47/566318447.db2.gz QNHSAFNIGXDVGF-UHFFFAOYSA-N -1 3 376.331 3.005 20 0 GGADHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462545700 566320215 /nfs/dbraw/zinc/32/02/15/566320215.db2.gz CUGIUIZXTUIBIV-MRVPVSSYSA-N -1 3 381.322 3.128 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462543413 566320274 /nfs/dbraw/zinc/32/02/74/566320274.db2.gz TZGAVJZPAGNPLJ-IAQYHMDHSA-N -1 3 394.306 3.462 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCC2)s1 ZINC000535692360 566320605 /nfs/dbraw/zinc/32/06/05/566320605.db2.gz BFCRMMMFCHINKK-UHFFFAOYSA-N -1 3 387.429 3.171 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)c(Cl)c1Cl ZINC000535691464 566320631 /nfs/dbraw/zinc/32/06/31/566320631.db2.gz DZRXGLXDKPMNBM-MRVPVSSYSA-N -1 3 393.296 3.283 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462543412 566320904 /nfs/dbraw/zinc/32/09/04/566320904.db2.gz TZGAVJZPAGNPLJ-ABAIWWIYSA-N -1 3 394.306 3.462 20 0 GGADHM COC[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482610768 566321004 /nfs/dbraw/zinc/32/10/04/566321004.db2.gz DECMMCVWGKJUCM-HNNXBMFYSA-N -1 3 393.281 3.212 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)s1 ZINC000669675403 566321072 /nfs/dbraw/zinc/32/10/72/566321072.db2.gz SJFFOXHBRBISBL-PWSUYJOCSA-N -1 3 380.482 3.049 20 0 GGADHM CC(C)c1nnc(CNC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000482611288 566321347 /nfs/dbraw/zinc/32/13/47/566321347.db2.gz FHAFTOHYEABUFW-UHFFFAOYSA-N -1 3 385.287 3.129 20 0 GGADHM COC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482610771 566321817 /nfs/dbraw/zinc/32/18/17/566321817.db2.gz DECMMCVWGKJUCM-OAHLLOKOSA-N -1 3 393.281 3.212 20 0 GGADHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462554022 566322175 /nfs/dbraw/zinc/32/21/75/566322175.db2.gz UJPIDCJCUGADBW-CYBMUJFWSA-N -1 3 399.310 3.207 20 0 GGADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1Br)CO2 ZINC000535737646 566322189 /nfs/dbraw/zinc/32/21/89/566322189.db2.gz OMGGBIRZFADZFU-AWEZNQCLSA-N -1 3 382.279 3.478 20 0 GGADHM Cc1sc(C[N-]S(=O)(=O)Cc2ccon2)nc1-c1ccc(Cl)cc1 ZINC000462551868 566322186 /nfs/dbraw/zinc/32/21/86/566322186.db2.gz NGGMNLAEIZQQDS-UHFFFAOYSA-N -1 3 383.882 3.380 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1c(F)cccc1F ZINC000462546080 566322461 /nfs/dbraw/zinc/32/24/61/566322461.db2.gz QCGTYXHQHIKHFF-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)c1Cl ZINC000576196571 566322626 /nfs/dbraw/zinc/32/26/26/566322626.db2.gz CSKSMUCGXZTQDS-IUODEOHRSA-N -1 3 378.321 3.377 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCc2cccc(C)n2)c1 ZINC000509637738 566323237 /nfs/dbraw/zinc/32/32/37/566323237.db2.gz WIQDVGSPJUNZHW-UHFFFAOYSA-N -1 3 399.310 3.072 20 0 GGADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000509643667 566324312 /nfs/dbraw/zinc/32/43/12/566324312.db2.gz XWRXLQUEXNWOEG-UHFFFAOYSA-N -1 3 387.274 3.203 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H](C)CC ZINC000462568374 566325071 /nfs/dbraw/zinc/32/50/71/566325071.db2.gz YEFZWLCVFOBHJD-NOZJJQNGSA-N -1 3 385.379 3.101 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cccs1)Oc1cccc(Br)c1 ZINC000462577407 566326683 /nfs/dbraw/zinc/32/66/83/566326683.db2.gz MGRPFKCBDMKILC-SNVBAGLBSA-N -1 3 376.297 3.256 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000462575936 566327503 /nfs/dbraw/zinc/32/75/03/566327503.db2.gz KSTFTEOSAKSZPD-HNNXBMFYSA-N -1 3 388.258 3.254 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1F)Oc1ccc(Br)cc1 ZINC000462586492 566328293 /nfs/dbraw/zinc/32/82/93/566328293.db2.gz BFDDJWWEQKXPAC-LLVKDONJSA-N -1 3 388.258 3.334 20 0 GGADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc2n[n-]nc2c1 ZINC000482715873 566328294 /nfs/dbraw/zinc/32/82/94/566328294.db2.gz ZKUPPCWURNDEAQ-LLVKDONJSA-N -1 3 376.247 3.273 20 0 GGADHM CCCCN(C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@H](C)CC ZINC000600254590 566328394 /nfs/dbraw/zinc/32/83/94/566328394.db2.gz JRTHNKFJXLZKLU-CYBMUJFWSA-N -1 3 376.469 3.060 20 0 GGADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc2n[n-]nc2c1 ZINC000482715874 566328537 /nfs/dbraw/zinc/32/85/37/566328537.db2.gz ZKUPPCWURNDEAQ-NSHDSACASA-N -1 3 376.247 3.273 20 0 GGADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)[C@@H](C)CC ZINC000462585330 566328504 /nfs/dbraw/zinc/32/85/04/566328504.db2.gz UVSXNRNUPLMEPU-FZMZJTMJSA-N -1 3 381.416 3.103 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)[C@@H](C)CC ZINC000462585332 566328732 /nfs/dbraw/zinc/32/87/32/566328732.db2.gz UVSXNRNUPLMEPU-SMDDNHRTSA-N -1 3 381.416 3.103 20 0 GGADHM Cc1ncc(CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c(=O)[n-]1 ZINC000462593129 566329731 /nfs/dbraw/zinc/32/97/31/566329731.db2.gz OUJWGRKQODLQOF-SECBINFHSA-N -1 3 382.233 3.202 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccnc1C ZINC000625501611 566329938 /nfs/dbraw/zinc/32/99/38/566329938.db2.gz GJBQOXGFTYUNMB-UHFFFAOYSA-N -1 3 385.283 3.030 20 0 GGADHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000462591878 566330485 /nfs/dbraw/zinc/33/04/85/566330485.db2.gz MGRRORPWOJUHMP-UHFFFAOYSA-N -1 3 396.925 3.292 20 0 GGADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)CC ZINC000462599181 566330951 /nfs/dbraw/zinc/33/09/51/566330951.db2.gz YEINTRVEWBBJNY-QMTHXVAHSA-N -1 3 382.309 3.391 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c(C)cn1 ZINC000556796058 566332070 /nfs/dbraw/zinc/33/20/70/566332070.db2.gz CKOJLKXUOTWCPB-UHFFFAOYSA-N -1 3 393.665 3.476 20 0 GGADHM CO[C@H](C)c1nsc([N-]C(=O)c2cnc3ncc(Br)cc3c2)n1 ZINC000669852485 566332397 /nfs/dbraw/zinc/33/23/97/566332397.db2.gz ZVSAIGVMMFAHTG-SSDOTTSWSA-N -1 3 394.254 3.204 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2nnc[nH]2)c2ccccc2)sc1Cl ZINC000509736861 566332790 /nfs/dbraw/zinc/33/27/90/566332790.db2.gz UNNYSZDQYCABPK-LBPRGKRZSA-N -1 3 382.898 3.090 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2nc[nH]n2)c2ccccc2)sc1Cl ZINC000509736861 566332794 /nfs/dbraw/zinc/33/27/94/566332794.db2.gz UNNYSZDQYCABPK-LBPRGKRZSA-N -1 3 382.898 3.090 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCCC1 ZINC000625545979 566333890 /nfs/dbraw/zinc/33/38/90/566333890.db2.gz KITGHBKQDHOCDF-UHFFFAOYSA-N -1 3 380.691 3.140 20 0 GGADHM O=S(=O)([N-][C@@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000509726037 566333776 /nfs/dbraw/zinc/33/37/76/566333776.db2.gz DGIKHOROMIEWDU-AWEZNQCLSA-N -1 3 397.287 3.374 20 0 GGADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)C1CCCC1 ZINC000625545099 566333937 /nfs/dbraw/zinc/33/39/37/566333937.db2.gz MGKRQHLEHADOEC-UHFFFAOYSA-N -1 3 394.718 3.281 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)c1 ZINC000625548616 566335236 /nfs/dbraw/zinc/33/52/36/566335236.db2.gz KGHRGYMWDLNPLJ-UHFFFAOYSA-N -1 3 390.292 3.007 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000509772277 566336613 /nfs/dbraw/zinc/33/66/13/566336613.db2.gz PUNWCRBTYCCBAD-QPUJVOFHSA-N -1 3 386.823 3.261 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1ccc(Cl)cc1C(F)(F)F ZINC000535905753 566336634 /nfs/dbraw/zinc/33/66/34/566336634.db2.gz JMWMSHXGIYJJRH-JTQLQIEISA-N -1 3 397.802 3.081 20 0 GGADHM O=C(NC[C@H]1CCCSC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000576329884 566336914 /nfs/dbraw/zinc/33/69/14/566336914.db2.gz ZQRLRTPBNAABRY-SNVBAGLBSA-N -1 3 381.295 3.164 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000535897988 566337272 /nfs/dbraw/zinc/33/72/72/566337272.db2.gz VUNJIQQUPKKDOF-NWDGAFQWSA-N -1 3 382.707 3.338 20 0 GGADHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(Br)cn3)C2)c1 ZINC000576347471 566338171 /nfs/dbraw/zinc/33/81/71/566338171.db2.gz DAEOYLUHNPZTQO-MQMHXKEQSA-N -1 3 397.294 3.077 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000462669015 566338076 /nfs/dbraw/zinc/33/80/76/566338076.db2.gz PRIUASBTWNCQOO-SNVBAGLBSA-N -1 3 387.889 3.210 20 0 GGADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)C2)c1 ZINC000535917335 566338684 /nfs/dbraw/zinc/33/86/84/566338684.db2.gz FEELGQLKQPCSMW-AWEZNQCLSA-N -1 3 384.860 3.045 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccsc1 ZINC000669960374 566338957 /nfs/dbraw/zinc/33/89/57/566338957.db2.gz QUYMTRAVETZKTP-JTQLQIEISA-N -1 3 383.470 3.211 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3sccc3C)n2)c1 ZINC000462675127 566339554 /nfs/dbraw/zinc/33/95/54/566339554.db2.gz ILYDSLRWJKOQAD-NSHDSACASA-N -1 3 379.463 3.155 20 0 GGADHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000462685015 566339570 /nfs/dbraw/zinc/33/95/70/566339570.db2.gz USEFSTOHIHEKCC-GFCCVEGCSA-N -1 3 395.786 3.266 20 0 GGADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000482866003 566339730 /nfs/dbraw/zinc/33/97/30/566339730.db2.gz ZFNFUMSBJCKQHW-UHFFFAOYSA-N -1 3 383.217 3.302 20 0 GGADHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000462677118 566339916 /nfs/dbraw/zinc/33/99/16/566339916.db2.gz DVPCKRIXSJRMGB-UHFFFAOYSA-N -1 3 387.807 3.369 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000625582904 566340443 /nfs/dbraw/zinc/34/04/43/566340443.db2.gz USOCFQLNIPAQSI-NSHDSACASA-N -1 3 390.889 3.106 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3sccc3C)n2)c1 ZINC000462675125 566340593 /nfs/dbraw/zinc/34/05/93/566340593.db2.gz ILYDSLRWJKOQAD-LLVKDONJSA-N -1 3 379.463 3.155 20 0 GGADHM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000576371763 566340690 /nfs/dbraw/zinc/34/06/90/566340690.db2.gz RREBVLOUOOQMAU-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCCC(=O)OC(C)C)c(Cl)c1Cl ZINC000462689858 566341040 /nfs/dbraw/zinc/34/10/40/566341040.db2.gz YUEPGNNAQRMZRY-UHFFFAOYSA-N -1 3 384.281 3.012 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NCc1nc2cc(Cl)ccc2s1 ZINC000482897247 566341221 /nfs/dbraw/zinc/34/12/21/566341221.db2.gz WRRTWEBQOJHSBR-UHFFFAOYSA-N -1 3 390.778 3.086 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NCc1nc2cc(Cl)ccc2s1 ZINC000482897247 566341226 /nfs/dbraw/zinc/34/12/26/566341226.db2.gz WRRTWEBQOJHSBR-UHFFFAOYSA-N -1 3 390.778 3.086 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1nc2cc(Cl)ccc2s1 ZINC000482897247 566341231 /nfs/dbraw/zinc/34/12/31/566341231.db2.gz WRRTWEBQOJHSBR-UHFFFAOYSA-N -1 3 390.778 3.086 20 0 GGADHM O=S(=O)([N-][C@H](c1ccccc1Cl)c1cc(F)ccc1F)c1c[nH]cn1 ZINC000462696930 566341421 /nfs/dbraw/zinc/34/14/21/566341421.db2.gz AEYFJQAHNLUAKU-MRXNPFEDSA-N -1 3 383.807 3.409 20 0 GGADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1occ2c1CCC2 ZINC000509853587 566342083 /nfs/dbraw/zinc/34/20/83/566342083.db2.gz UAGSTBQETYCYPF-UHFFFAOYSA-N -1 3 387.237 3.423 20 0 GGADHM COc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)c([O-])c1 ZINC000446335970 566343030 /nfs/dbraw/zinc/34/30/30/566343030.db2.gz CJGVRQYQMGQILP-LBPRGKRZSA-N -1 3 391.221 3.228 20 0 GGADHM CC(C)(CNC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc(Cl)c1 ZINC000482921612 566342900 /nfs/dbraw/zinc/34/29/00/566342900.db2.gz MDTBDJMKBTZEMZ-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM CC(C)(CNC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000482921612 566342906 /nfs/dbraw/zinc/34/29/06/566342906.db2.gz MDTBDJMKBTZEMZ-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Cl)c1 ZINC000482921612 566342914 /nfs/dbraw/zinc/34/29/14/566342914.db2.gz MDTBDJMKBTZEMZ-UHFFFAOYSA-N -1 3 375.782 3.254 20 0 GGADHM C[C@@]([N-]S(=O)(=O)c1csc2ccccc21)(C(N)=O)c1cccc(Cl)c1 ZINC000509861357 566343046 /nfs/dbraw/zinc/34/30/46/566343046.db2.gz CBMVVLIWSFMUGF-KRWDZBQOSA-N -1 3 394.905 3.234 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000462702288 566343368 /nfs/dbraw/zinc/34/33/68/566343368.db2.gz HFFVXTIBDNNSKZ-LBPRGKRZSA-N -1 3 388.272 3.229 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1CCOC1 ZINC000462701907 566343433 /nfs/dbraw/zinc/34/34/33/566343433.db2.gz HYPZCAYPPZQOPF-SJCJKPOMSA-N -1 3 387.835 3.416 20 0 GGADHM O=S(=O)([N-][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000462701906 566343480 /nfs/dbraw/zinc/34/34/80/566343480.db2.gz HYPZCAYPPZQOPF-PXAZEXFGSA-N -1 3 387.835 3.416 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462700555 566343518 /nfs/dbraw/zinc/34/35/18/566343518.db2.gz IWWGTDUFPCAGMB-BDJLRTHQSA-N -1 3 399.299 3.466 20 0 GGADHM COC(=O)[C@H](CNC(=O)Nc1ccsc1Cl)Cc1ccc([O-])c(F)c1 ZINC000421104332 566344227 /nfs/dbraw/zinc/34/42/27/566344227.db2.gz YNTMFFHURYWIJL-JTQLQIEISA-N -1 3 386.832 3.400 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000462704164 566344524 /nfs/dbraw/zinc/34/45/24/566344524.db2.gz SXTNALFTSWIAMO-OAHLLOKOSA-N -1 3 388.272 3.229 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000462707082 566344920 /nfs/dbraw/zinc/34/49/20/566344920.db2.gz PKQXNXBCSBWVCU-CQSZACIVSA-N -1 3 377.865 3.269 20 0 GGADHM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000509895202 566345563 /nfs/dbraw/zinc/34/55/63/566345563.db2.gz QZTVAQFOCFVMKV-UHFFFAOYSA-N -1 3 385.791 3.123 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000462710840 566345953 /nfs/dbraw/zinc/34/59/53/566345953.db2.gz GVDZDLNXXXKEIN-CYBMUJFWSA-N -1 3 388.272 3.229 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 ZINC000462710179 566346166 /nfs/dbraw/zinc/34/61/66/566346166.db2.gz XSTKOHPOTKYCGE-FZMZJTMJSA-N -1 3 399.299 3.466 20 0 GGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000462712588 566346325 /nfs/dbraw/zinc/34/63/25/566346325.db2.gz XZMDIKSIJRCGOG-MNOVXSKESA-N -1 3 392.315 3.339 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000462709083 566346583 /nfs/dbraw/zinc/34/65/83/566346583.db2.gz XUYFXCSRQNGFPC-AWEZNQCLSA-N -1 3 377.865 3.269 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C1CCCCC1 ZINC000462723398 566347315 /nfs/dbraw/zinc/34/73/15/566347315.db2.gz ATTVZAZGAGFKON-HNNXBMFYSA-N -1 3 389.901 3.139 20 0 GGADHM CCc1ccc([O-])c(C(=O)N(CCO)Cc2ccc(Br)s2)c1 ZINC000482977168 566347500 /nfs/dbraw/zinc/34/75/00/566347500.db2.gz DUFRFALXEKYIPM-UHFFFAOYSA-N -1 3 384.295 3.413 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000462720450 566348065 /nfs/dbraw/zinc/34/80/65/566348065.db2.gz JGGIDJQYASABFX-GFCCVEGCSA-N -1 3 388.272 3.229 20 0 GGADHM C[C@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)c2c([O-])cccc21 ZINC000446417304 566348752 /nfs/dbraw/zinc/34/87/52/566348752.db2.gz FQKDCJRYGORQNA-JTQLQIEISA-N -1 3 377.238 3.338 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000421152255 566349507 /nfs/dbraw/zinc/34/95/07/566349507.db2.gz KSNSICCEWMWJQK-MCMMXHMISA-N -1 3 381.947 3.021 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1)OC ZINC000421152705 566349857 /nfs/dbraw/zinc/34/98/57/566349857.db2.gz LKFAMNBWJADGRW-CQSZACIVSA-N -1 3 377.388 3.058 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCCCC1 ZINC000462731881 566349839 /nfs/dbraw/zinc/34/98/39/566349839.db2.gz YWPMUVPNJSTBQU-CYBMUJFWSA-N -1 3 377.865 3.269 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(C[S@@](=O)C2CCCCC2)c1)OC ZINC000421162684 566350942 /nfs/dbraw/zinc/35/09/42/566350942.db2.gz ZULZQFAOBAPAKQ-MZNJEOGPSA-N -1 3 387.567 3.435 20 0 GGADHM Cc1csc(-c2cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c2)n1 ZINC000576501135 566351761 /nfs/dbraw/zinc/35/17/61/566351761.db2.gz XXFZXYFPCMDXFV-UHFFFAOYSA-N -1 3 380.413 3.439 20 0 GGADHM CCN(CC(=O)N1CCCCCC1)Cc1ccc(OC)c([O-])c1Br ZINC000576506154 566352113 /nfs/dbraw/zinc/35/21/13/566352113.db2.gz PCMBZTCTJPIHKK-UHFFFAOYSA-N -1 3 399.329 3.388 20 0 GGADHM COc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c(Br)c1[O-] ZINC000462790922 566352238 /nfs/dbraw/zinc/35/22/38/566352238.db2.gz WHRWARWSWXIWPN-QKFKETGDSA-N -1 3 398.322 3.373 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)c(C)o1 ZINC000536131144 566353118 /nfs/dbraw/zinc/35/31/18/566353118.db2.gz ZQYSFQJROXHSFA-UHFFFAOYSA-N -1 3 384.262 3.221 20 0 GGADHM C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000509987379 566353757 /nfs/dbraw/zinc/35/37/57/566353757.db2.gz QPLKPWBACTYBAA-SNVBAGLBSA-N -1 3 399.244 3.092 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(C)c2)C2CC2)c1 ZINC000536137831 566353922 /nfs/dbraw/zinc/35/39/22/566353922.db2.gz XNXPCDPIBRNXKY-MRXNPFEDSA-N -1 3 383.466 3.412 20 0 GGADHM O=S(=O)([N-]CCCOC(F)F)c1ccc(Cl)cc1Br ZINC000510585266 566396242 /nfs/dbraw/zinc/39/62/42/566396242.db2.gz UEBTXEYMMOESGN-UHFFFAOYSA-N -1 3 378.622 3.010 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000536130748 566354009 /nfs/dbraw/zinc/35/40/09/566354009.db2.gz TWSOKKHGFLIAPI-GUYCJALGSA-N -1 3 385.869 3.011 20 0 GGADHM CCCCOCCN(C(=O)c1cc(=O)[n-]cn1)c1cccc(Br)c1 ZINC000625713314 566354242 /nfs/dbraw/zinc/35/42/42/566354242.db2.gz XNYOJRSYXFVZAS-UHFFFAOYSA-N -1 3 394.269 3.408 20 0 GGADHM CCc1nc([C@H]2CCCCN2C(=O)c2cc([O-])cc(Br)c2)no1 ZINC000625731466 566354727 /nfs/dbraw/zinc/35/47/27/566354727.db2.gz NFJGXTIJSBFIRF-CYBMUJFWSA-N -1 3 380.242 3.468 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000536154559 566355057 /nfs/dbraw/zinc/35/50/57/566355057.db2.gz HNYFRDIJJUVTPV-UHFFFAOYSA-N -1 3 385.844 3.177 20 0 GGADHM O=C([N-]c1nc2cc(Br)ccn2n1)c1csc([C@@H]2CCCO2)n1 ZINC000576564050 566357492 /nfs/dbraw/zinc/35/74/92/566357492.db2.gz ZFYVCQVLOPSGOC-JTQLQIEISA-N -1 3 394.254 3.052 20 0 GGADHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510021486 566357513 /nfs/dbraw/zinc/35/75/13/566357513.db2.gz SWOFYKZNXQSNMQ-BDAKNGLRSA-N -1 3 387.807 3.225 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1C(F)(F)F ZINC000510013740 566357673 /nfs/dbraw/zinc/35/76/73/566357673.db2.gz KWJFXNMBMMLLGH-NSHDSACASA-N -1 3 383.775 3.354 20 0 GGADHM CC(=O)c1cccc(NC(=O)c2cc(Br)cnc2N(C)C)c1[O-] ZINC000576552166 566357880 /nfs/dbraw/zinc/35/78/80/566357880.db2.gz YQERQABMEZYSDJ-UHFFFAOYSA-N -1 3 378.226 3.071 20 0 GGADHM COc1cnc([N-]C(=O)c2cc(-c3ccccn3)no2)c(Br)c1 ZINC000576573484 566358360 /nfs/dbraw/zinc/35/83/60/566358360.db2.gz YJIOSXRDUGIOJI-UHFFFAOYSA-N -1 3 375.182 3.155 20 0 GGADHM CC[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1N1CCCC1)OC ZINC000421243015 566359564 /nfs/dbraw/zinc/35/95/64/566359564.db2.gz ZIADQPJTIOJVDT-CYBMUJFWSA-N -1 3 391.331 3.216 20 0 GGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557091028 566360541 /nfs/dbraw/zinc/36/05/41/566360541.db2.gz JOLZGHGBYDQVNE-BZNIZROVSA-N -1 3 393.336 3.070 20 0 GGADHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510057749 566360930 /nfs/dbraw/zinc/36/09/30/566360930.db2.gz MHTWNNXRSXVTLK-VIFPVBQESA-N -1 3 387.807 3.226 20 0 GGADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000510066276 566361845 /nfs/dbraw/zinc/36/18/45/566361845.db2.gz WQZZVENXZVOXMB-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[N-]c1nncn1C1CC1 ZINC000557108624 566362160 /nfs/dbraw/zinc/36/21/60/566362160.db2.gz SZOXRDYYXFCUQP-QMMMGPOBSA-N -1 3 385.649 3.435 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1csnn1 ZINC000557101773 566362415 /nfs/dbraw/zinc/36/24/15/566362415.db2.gz AIKKIAGLTNLWHD-SNVBAGLBSA-N -1 3 387.914 3.410 20 0 GGADHM O=C(CC1(O)CCCCC1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000536313439 566363799 /nfs/dbraw/zinc/36/37/99/566363799.db2.gz BGAUUCLNHMXOEU-UHFFFAOYSA-N -1 3 397.248 3.397 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000576625441 566363834 /nfs/dbraw/zinc/36/38/34/566363834.db2.gz IQGRDRMJZLGOOE-ZDUSSCGKSA-N -1 3 385.835 3.434 20 0 GGADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000576629971 566364048 /nfs/dbraw/zinc/36/40/48/566364048.db2.gz LIQUFKJOXIHJTN-UHFFFAOYSA-N -1 3 376.356 3.195 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cs1 ZINC000600787186 566365470 /nfs/dbraw/zinc/36/54/70/566365470.db2.gz OJYXXXLBJPXABB-UWVGGRQHSA-N -1 3 387.552 3.004 20 0 GGADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000600779076 566366063 /nfs/dbraw/zinc/36/60/63/566366063.db2.gz MBEJKBOUWINQRP-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cs1 ZINC000600787189 566366209 /nfs/dbraw/zinc/36/62/09/566366209.db2.gz OJYXXXLBJPXABB-ZJUUUORDSA-N -1 3 387.552 3.004 20 0 GGADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccs1 ZINC000576670274 566367399 /nfs/dbraw/zinc/36/73/99/566367399.db2.gz LLKPAAFDPNXEKI-AWEZNQCLSA-N -1 3 379.425 3.204 20 0 GGADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000557165182 566369302 /nfs/dbraw/zinc/36/93/02/566369302.db2.gz AWCJXXARLOCZAM-DOTOQJQBSA-N -1 3 391.265 3.074 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCOc3ncccc3F)s2)cs1 ZINC000446931213 566371734 /nfs/dbraw/zinc/37/17/34/566371734.db2.gz PVACHHUTZPSCIH-UHFFFAOYSA-N -1 3 399.494 3.071 20 0 GGADHM CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)Cc1nc(=O)n(C)[n-]1 ZINC000483285931 566371930 /nfs/dbraw/zinc/37/19/30/566371930.db2.gz MDPICBFSTPKWSD-UHFFFAOYSA-N -1 3 393.702 3.360 20 0 GGADHM COC(=O)c1c2c(sc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1)CCCC2 ZINC000421423783 566373501 /nfs/dbraw/zinc/37/35/01/566373501.db2.gz IXGRVLGNKLKZQZ-UHFFFAOYSA-N -1 3 399.515 3.131 20 0 GGADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(Cl)c1 ZINC000536458102 566374287 /nfs/dbraw/zinc/37/42/87/566374287.db2.gz CZMCUYNGUCEQKZ-UHFFFAOYSA-N -1 3 375.837 3.049 20 0 GGADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000510305609 566374424 /nfs/dbraw/zinc/37/44/24/566374424.db2.gz GXMHYNAFXNOBFE-ABAIWWIYSA-N -1 3 376.906 3.030 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(C(F)(F)F)cs1 ZINC000510306980 566374521 /nfs/dbraw/zinc/37/45/21/566374521.db2.gz LDMWGQXUTFRVHG-UHFFFAOYSA-N -1 3 394.396 3.104 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000510305613 566374541 /nfs/dbraw/zinc/37/45/41/566374541.db2.gz GXMHYNAFXNOBFE-NHYWBVRUSA-N -1 3 376.906 3.030 20 0 GGADHM CCC[C@H](C)N(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000510371830 566378393 /nfs/dbraw/zinc/37/83/93/566378393.db2.gz DCGKEMWOUBKKMH-NSHDSACASA-N -1 3 396.340 3.102 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)c(Cl)c1Cl ZINC000510383298 566379765 /nfs/dbraw/zinc/37/97/65/566379765.db2.gz WNGRNXSOTCQBQD-CQSZACIVSA-N -1 3 390.292 3.165 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3nnc(C(C)C)[nH]3)s2)cs1 ZINC000536502547 566379769 /nfs/dbraw/zinc/37/97/69/566379769.db2.gz OKARFDCDILQSQC-VIFPVBQESA-N -1 3 397.551 3.461 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000536501300 566379938 /nfs/dbraw/zinc/37/99/38/566379938.db2.gz FRIFWPGDJZJQMW-LURJTMIESA-N -1 3 383.688 3.367 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C1CC1 ZINC000510374918 566379974 /nfs/dbraw/zinc/37/99/74/566379974.db2.gz JETSGMNVEMJSFX-CYBMUJFWSA-N -1 3 377.363 3.008 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)cc1F ZINC000576814227 566380786 /nfs/dbraw/zinc/38/07/86/566380786.db2.gz WUYMGXRHTVCMTH-UHFFFAOYSA-N -1 3 383.466 3.031 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2Cl)ccc1F ZINC000557371848 566381701 /nfs/dbraw/zinc/38/17/01/566381701.db2.gz QPLBMRUKBIKEMP-UHFFFAOYSA-N -1 3 381.816 3.121 20 0 GGADHM CCSCc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000557371706 566381732 /nfs/dbraw/zinc/38/17/32/566381732.db2.gz QHHARWSTIUTBDX-UHFFFAOYSA-N -1 3 382.482 3.239 20 0 GGADHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)c1ccco1 ZINC000510417867 566381760 /nfs/dbraw/zinc/38/17/60/566381760.db2.gz YEJHBJANLZBUJJ-QWRGUYRKSA-N -1 3 391.287 3.043 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](c1nncn1C)C(C)C ZINC000510449317 566382667 /nfs/dbraw/zinc/38/26/67/566382667.db2.gz HCOLPOSQTMKYLM-AWEZNQCLSA-N -1 3 382.873 3.199 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1I ZINC000600943542 566382868 /nfs/dbraw/zinc/38/28/68/566382868.db2.gz DQJNIIUEDPKEJV-PWSUYJOCSA-N -1 3 379.625 3.288 20 0 GGADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1 ZINC000510446944 566382815 /nfs/dbraw/zinc/38/28/15/566382815.db2.gz VJTQHGAVVBKNMO-CMPLNLGQSA-N -1 3 376.400 3.105 20 0 GGADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000510441280 566382994 /nfs/dbraw/zinc/38/29/94/566382994.db2.gz FUYVVADYSPWSLD-CYBMUJFWSA-N -1 3 377.363 3.008 20 0 GGADHM CCOC(=O)c1cc([N-]C(=O)c2ccc(S(C)(=O)=O)s2)c(F)cc1C ZINC000421536161 566383108 /nfs/dbraw/zinc/38/31/08/566383108.db2.gz COUIZLCHKJPCFC-UHFFFAOYSA-N -1 3 385.438 3.028 20 0 GGADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1 ZINC000510446948 566383447 /nfs/dbraw/zinc/38/34/47/566383447.db2.gz VJTQHGAVVBKNMO-ZYHUDNBSSA-N -1 3 376.400 3.105 20 0 GGADHM C[C@@H](O)C[C@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000626091537 566384010 /nfs/dbraw/zinc/38/40/10/566384010.db2.gz ANTLGMHBHWQISF-IUODEOHRSA-N -1 3 378.266 3.439 20 0 GGADHM C[C@H](O)C[C@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000626091538 566384027 /nfs/dbraw/zinc/38/40/27/566384027.db2.gz ANTLGMHBHWQISF-SWLSCSKDSA-N -1 3 378.266 3.439 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000670855141 566384628 /nfs/dbraw/zinc/38/46/28/566384628.db2.gz MEWIJLGCRACGEN-RYUDHWBXSA-N -1 3 393.349 3.073 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000510467921 566385139 /nfs/dbraw/zinc/38/51/39/566385139.db2.gz UQOJNEOJORUHGU-ZDUSSCGKSA-N -1 3 379.265 3.000 20 0 GGADHM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463164011 566387185 /nfs/dbraw/zinc/38/71/85/566387185.db2.gz SOCWBZZYWPWVPK-ONGXEEELSA-N -1 3 385.251 3.301 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000510487461 566387439 /nfs/dbraw/zinc/38/74/39/566387439.db2.gz GRZPNCXCTAFAPV-AAEUAGOBSA-N -1 3 386.926 3.414 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cncc(Cl)c1 ZINC000510492031 566387507 /nfs/dbraw/zinc/38/75/07/566387507.db2.gz XCIAJLQRFVERLA-CQSZACIVSA-N -1 3 395.695 3.444 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000510488817 566388360 /nfs/dbraw/zinc/38/83/60/566388360.db2.gz LVTXASMLUWAQKO-GFCCVEGCSA-N -1 3 396.317 3.466 20 0 GGADHM Cc1nc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)c(Br)s1 ZINC000557476441 566389082 /nfs/dbraw/zinc/38/90/82/566389082.db2.gz SXMHTCJAWLJQFB-UHFFFAOYSA-N -1 3 399.295 3.197 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000447149773 566390547 /nfs/dbraw/zinc/39/05/47/566390547.db2.gz YXXKTQFREMBJJH-JTQLQIEISA-N -1 3 384.885 3.255 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000576937889 566390811 /nfs/dbraw/zinc/39/08/11/566390811.db2.gz BZTBEFFKPQFOIJ-NSHDSACASA-N -1 3 381.391 3.472 20 0 GGADHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000510536211 566391239 /nfs/dbraw/zinc/39/12/39/566391239.db2.gz XHPINDUXOSOPQS-UWVGGRQHSA-N -1 3 382.707 3.053 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000510536812 566392396 /nfs/dbraw/zinc/39/23/96/566392396.db2.gz GGMQMSRDILYXEH-VHSXEESVSA-N -1 3 382.707 3.053 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cs1 ZINC000510550019 566392822 /nfs/dbraw/zinc/39/28/22/566392822.db2.gz RUYWQHZHPCONAE-UHFFFAOYSA-N -1 3 378.929 3.311 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000510536742 566393153 /nfs/dbraw/zinc/39/31/53/566393153.db2.gz FIXAHUIWCHQVBN-VHSXEESVSA-N -1 3 382.707 3.053 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)c(Cl)c2)s1 ZINC000510548849 566393246 /nfs/dbraw/zinc/39/32/46/566393246.db2.gz BRZKNSGXVZYVEJ-CYBMUJFWSA-N -1 3 395.333 3.469 20 0 GGADHM COC(=O)[C@@H]1CCc2sc([N-]C(=O)c3scnc3C(F)(F)F)nc2C1 ZINC000421628339 566393308 /nfs/dbraw/zinc/39/33/08/566393308.db2.gz XUXIOIKEHSPKQE-ZCFIWIBFSA-N -1 3 391.396 3.149 20 0 GGADHM CS(=O)(=O)c1ccccc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000447191470 566393668 /nfs/dbraw/zinc/39/36/68/566393668.db2.gz IJNYFLXDYAYEAQ-UHFFFAOYSA-N -1 3 390.205 3.383 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nnc3ccccn32)c1Cl ZINC000447191070 566394098 /nfs/dbraw/zinc/39/40/98/566394098.db2.gz HWMHAVNSKQTYBO-JTQLQIEISA-N -1 3 385.276 3.384 20 0 GGADHM CC[C@]([N-]S(=O)(=O)c1ccccc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510557477 566394329 /nfs/dbraw/zinc/39/43/29/566394329.db2.gz DYAXEQYMQYKOPW-GOSISDBHSA-N -1 3 381.881 3.405 20 0 GGADHM CCCC1(C[N-]S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)CC1 ZINC000536692034 566394889 /nfs/dbraw/zinc/39/48/89/566394889.db2.gz OYBKSIGZQLJUTJ-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000510553774 566395388 /nfs/dbraw/zinc/39/53/88/566395388.db2.gz OSMKXZGXJJILRK-ZJUUUORDSA-N -1 3 382.707 3.053 20 0 GGADHM COc1ccc(CNC[C@@](C)(CO)Cc2ccccc2)c(Br)c1[O-] ZINC000483631308 566395483 /nfs/dbraw/zinc/39/54/83/566395483.db2.gz BDHSRXWPXVWGTE-IBGZPJMESA-N -1 3 394.309 3.494 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CC2CCC1CC2 ZINC000421679828 566397455 /nfs/dbraw/zinc/39/74/55/566397455.db2.gz OCKUUPOVMBGGGK-UDNWOFFPSA-N -1 3 380.208 3.395 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000577018875 566397552 /nfs/dbraw/zinc/39/75/52/566397552.db2.gz SFFHOFKOUFGIAZ-COPLHBTASA-N -1 3 388.917 3.410 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C1(C(F)(F)F)CCC1 ZINC000421679233 566398256 /nfs/dbraw/zinc/39/82/56/566398256.db2.gz IQKQPVHARNGTPY-UHFFFAOYSA-N -1 3 394.113 3.301 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000463303604 566398919 /nfs/dbraw/zinc/39/89/19/566398919.db2.gz TVFHCBPJXWIVAF-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000463303604 566398921 /nfs/dbraw/zinc/39/89/21/566398921.db2.gz TVFHCBPJXWIVAF-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM COCc1ccccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421680779 566399054 /nfs/dbraw/zinc/39/90/54/566399054.db2.gz DQTDIUIFPIQBRO-UHFFFAOYSA-N -1 3 392.175 3.029 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc2c(c1)CCO2 ZINC000447267084 566399079 /nfs/dbraw/zinc/39/90/79/566399079.db2.gz ZGBNLJWAHBUSPV-UHFFFAOYSA-N -1 3 377.315 3.302 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc2c(c1)COC2 ZINC000447275448 566399088 /nfs/dbraw/zinc/39/90/88/566399088.db2.gz SHVROBJMHFFVLL-UHFFFAOYSA-N -1 3 377.315 3.397 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccncc1F ZINC000510622024 566399606 /nfs/dbraw/zinc/39/96/06/566399606.db2.gz LKRADMITPUSYQV-MRVPVSSYSA-N -1 3 377.210 3.162 20 0 GGADHM CCOc1cccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000421682378 566399932 /nfs/dbraw/zinc/39/99/32/566399932.db2.gz NGDXIFVJVPDNQV-UHFFFAOYSA-N -1 3 392.175 3.281 20 0 GGADHM CCCCS[C@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421683227 566399995 /nfs/dbraw/zinc/39/99/95/566399995.db2.gz SCTGRGRAYWYUNP-MRVPVSSYSA-N -1 3 388.253 3.490 20 0 GGADHM CCOCCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCC1 ZINC000421682236 566400125 /nfs/dbraw/zinc/40/01/25/566400125.db2.gz MBLKODJSXXPFOQ-UHFFFAOYSA-N -1 3 398.223 3.165 20 0 GGADHM CC(C)c1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)s1 ZINC000421684658 566400839 /nfs/dbraw/zinc/40/08/39/566400839.db2.gz YPUPQEDERIBGGL-UHFFFAOYSA-N -1 3 397.220 3.462 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1cc2c(s1)CCC2 ZINC000421684674 566401275 /nfs/dbraw/zinc/40/12/75/566401275.db2.gz YTICZEWMPQBXHY-UHFFFAOYSA-N -1 3 394.216 3.432 20 0 GGADHM FC(F)Cn1ncnc1CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000447290620 566401448 /nfs/dbraw/zinc/40/14/48/566401448.db2.gz PTFVPMTYFFMHMW-UHFFFAOYSA-N -1 3 386.815 3.186 20 0 GGADHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000463341958 566402041 /nfs/dbraw/zinc/40/20/41/566402041.db2.gz ZCPKTTSVKIKDHU-SECBINFHSA-N -1 3 387.458 3.004 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000463341959 566402212 /nfs/dbraw/zinc/40/22/12/566402212.db2.gz ZCPKTTSVKIKDHU-VIFPVBQESA-N -1 3 387.458 3.004 20 0 GGADHM C[C@@H]1C[C@H](C)N(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000536817678 566402711 /nfs/dbraw/zinc/40/27/11/566402711.db2.gz RVJNZOUUINDLIX-ZJUUUORDSA-N -1 3 396.228 3.003 20 0 GGADHM CC1(c2cccc(Br)c2)CCN(C(=O)c2cc(=O)[n-]cn2)CC1 ZINC000626331263 566403059 /nfs/dbraw/zinc/40/30/59/566403059.db2.gz YLBJKDCMIRXCSL-UHFFFAOYSA-N -1 3 376.254 3.139 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(Br)cc1F ZINC000510645841 566403132 /nfs/dbraw/zinc/40/31/32/566403132.db2.gz FNEVKSVHPMUPGQ-SSDOTTSWSA-N -1 3 377.235 3.233 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000536817668 566403403 /nfs/dbraw/zinc/40/34/03/566403403.db2.gz RVJNZOUUINDLIX-NXEZZACHSA-N -1 3 396.228 3.003 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1nc2c(s1)CCC2 ZINC000557637939 566403926 /nfs/dbraw/zinc/40/39/26/566403926.db2.gz QHDBGOMPXFNUFU-MRVPVSSYSA-N -1 3 392.424 3.412 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000510686349 566404725 /nfs/dbraw/zinc/40/47/25/566404725.db2.gz WCNBCHDDRINGJB-INMHGKMJSA-N -1 3 381.519 3.386 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)C1CCC(C(F)(F)F)CC1 ZINC000649913154 566404701 /nfs/dbraw/zinc/40/47/01/566404701.db2.gz WMCMGRVYBTWRDV-HSLLBKHCSA-N -1 3 385.354 3.439 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2F)nc1C ZINC000510693838 566405675 /nfs/dbraw/zinc/40/56/75/566405675.db2.gz TYRPJVWPQJNLMM-SECBINFHSA-N -1 3 390.278 3.153 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000510720312 566406956 /nfs/dbraw/zinc/40/69/56/566406956.db2.gz RVNCZNOAJJIRNB-UHFFFAOYSA-N -1 3 379.301 3.329 20 0 GGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000510719289 566407031 /nfs/dbraw/zinc/40/70/31/566407031.db2.gz JJNPFJNHHVZOOX-VXGBXAGGSA-N -1 3 392.974 3.401 20 0 GGADHM C[C@H]1CCCN(Cc2csc([N-]C(=O)c3ccc(S(C)(=O)=O)s3)n2)C1 ZINC000421751175 566406985 /nfs/dbraw/zinc/40/69/85/566406985.db2.gz XVLCOYAMMIUSNX-NSHDSACASA-N -1 3 399.563 3.092 20 0 GGADHM O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)Cc1cccc(OC(F)F)c1 ZINC000447370202 566407291 /nfs/dbraw/zinc/40/72/91/566407291.db2.gz AJHIMBSREKZJJV-UHFFFAOYSA-N -1 3 385.417 3.250 20 0 GGADHM O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)Cc1cccc(OC(F)F)c1 ZINC000447370202 566407295 /nfs/dbraw/zinc/40/72/95/566407295.db2.gz AJHIMBSREKZJJV-UHFFFAOYSA-N -1 3 385.417 3.250 20 0 GGADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)Cc1cccc(OC(F)F)c1 ZINC000447370202 566407300 /nfs/dbraw/zinc/40/73/00/566407300.db2.gz AJHIMBSREKZJJV-UHFFFAOYSA-N -1 3 385.417 3.250 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)s1 ZINC000510723377 566407657 /nfs/dbraw/zinc/40/76/57/566407657.db2.gz ZZLHAMGJMHUEHV-ARFHVFGLSA-N -1 3 380.535 3.335 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)s1 ZINC000510723379 566407703 /nfs/dbraw/zinc/40/77/03/566407703.db2.gz ZZLHAMGJMHUEHV-OAGGEKHMSA-N -1 3 380.535 3.335 20 0 GGADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000510731821 566408553 /nfs/dbraw/zinc/40/85/53/566408553.db2.gz GNNZVHLGGHLISE-UHFFFAOYSA-N -1 3 391.262 3.407 20 0 GGADHM COc1cc(NC(C)=O)ccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000483968061 566409164 /nfs/dbraw/zinc/40/91/64/566409164.db2.gz AEEQMTPJPKCFDT-UHFFFAOYSA-N -1 3 393.237 3.303 20 0 GGADHM O=S(=O)([N-]CCNc1cnc2ccccc2n1)c1cccc(Cl)c1Cl ZINC000557697040 566409418 /nfs/dbraw/zinc/40/94/18/566409418.db2.gz KVPWLVJZULWHBO-UHFFFAOYSA-N -1 3 397.287 3.327 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000536904591 566410102 /nfs/dbraw/zinc/41/01/02/566410102.db2.gz JQKOFFUINUNJAE-CQSZACIVSA-N -1 3 381.322 3.048 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000536899366 566410654 /nfs/dbraw/zinc/41/06/54/566410654.db2.gz CTDOOTAPPOSZCX-INIZCTEOSA-N -1 3 375.824 3.425 20 0 GGADHM CS[C@@H](C)CCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000536911821 566411623 /nfs/dbraw/zinc/41/16/23/566411623.db2.gz UZHHBRJOAMXCQP-NSHDSACASA-N -1 3 376.519 3.373 20 0 GGADHM COCCCn1c(=O)[n-]nc1SCc1ccc(OC)cc1Br ZINC000421834463 566412424 /nfs/dbraw/zinc/41/24/24/566412424.db2.gz OUBBGBARRHTQTN-UHFFFAOYSA-N -1 3 388.287 3.084 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000510775240 566412700 /nfs/dbraw/zinc/41/27/00/566412700.db2.gz AWKMKEQMTSNOMA-ZUZCIYMTSA-N -1 3 381.523 3.076 20 0 GGADHM COc1ccc(CNc2nc3c(cccc3F)n2C)c(Br)c1[O-] ZINC000463498244 566414229 /nfs/dbraw/zinc/41/42/29/566414229.db2.gz GGQRXLDWAPRKDS-UHFFFAOYSA-N -1 3 380.217 3.223 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)s1 ZINC000650034318 566416833 /nfs/dbraw/zinc/41/68/33/566416833.db2.gz YMIKMBAHQBMFEA-DGCLKSJQSA-N -1 3 396.559 3.113 20 0 GGADHM Cn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(-c2ccoc2)n1 ZINC000447580270 566417496 /nfs/dbraw/zinc/41/74/96/566417496.db2.gz PYMRELRIZOQQOP-UHFFFAOYSA-N -1 3 376.210 3.078 20 0 GGADHM Cc1c(Br)ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])c1F ZINC000447638530 566418852 /nfs/dbraw/zinc/41/88/52/566418852.db2.gz AVVGDJGUTBNIIV-UHFFFAOYSA-N -1 3 379.189 3.136 20 0 GGADHM Cc1ccc([O-])c(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000447632148 566419352 /nfs/dbraw/zinc/41/93/52/566419352.db2.gz FMHCDZJMUBMBAA-UHFFFAOYSA-N -1 3 393.241 3.008 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000577268922 566419362 /nfs/dbraw/zinc/41/93/62/566419362.db2.gz UNXPSRCVXQYXLB-MRVPVSSYSA-N -1 3 377.413 3.085 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000577257210 566419642 /nfs/dbraw/zinc/41/96/42/566419642.db2.gz SEAFGLATMYHGDP-CYBMUJFWSA-N -1 3 376.261 3.014 20 0 GGADHM Cc1ccc([C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C2CC2)cc1 ZINC000510913014 566420506 /nfs/dbraw/zinc/42/05/06/566420506.db2.gz OBUDGIDKEQPJEA-QGZVFWFLSA-N -1 3 398.937 3.256 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)s1 ZINC000463610472 566421087 /nfs/dbraw/zinc/42/10/87/566421087.db2.gz IRFSEAOQWQVDQP-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000463610472 566421090 /nfs/dbraw/zinc/42/10/90/566421090.db2.gz IRFSEAOQWQVDQP-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM Cc1nc(C)c([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000510930123 566421188 /nfs/dbraw/zinc/42/11/88/566421188.db2.gz QXQWIMAUHDPHTJ-SECBINFHSA-N -1 3 391.921 3.182 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CN1C1CC1 ZINC000447646984 566421417 /nfs/dbraw/zinc/42/14/17/566421417.db2.gz WYDWWJWJXFXIQT-ONGXEEELSA-N -1 3 382.835 3.262 20 0 GGADHM COc1c(Br)c(C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000463608650 566421313 /nfs/dbraw/zinc/42/13/13/566421313.db2.gz CTDSZJAUASAOEF-UHFFFAOYSA-N -1 3 394.254 3.260 20 0 GGADHM COc1c(Br)c(C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000463608650 566421318 /nfs/dbraw/zinc/42/13/18/566421318.db2.gz CTDSZJAUASAOEF-UHFFFAOYSA-N -1 3 394.254 3.260 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557811454 566421663 /nfs/dbraw/zinc/42/16/63/566421663.db2.gz CMQMEGWZPAPJFB-FZMZJTMJSA-N -1 3 399.310 3.233 20 0 GGADHM Cc1ccccc1[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)C(C)C ZINC000601744540 566422168 /nfs/dbraw/zinc/42/21/68/566422168.db2.gz DDARAHPULIYHBS-GOSISDBHSA-N -1 3 380.535 3.238 20 0 GGADHM CSc1nnc(NC(=O)CCc2nc3cc(Br)ccc3s2)[n-]1 ZINC000463631319 566422389 /nfs/dbraw/zinc/42/23/89/566422389.db2.gz WVCXPCWZDIMLKM-UHFFFAOYSA-N -1 3 398.311 3.470 20 0 GGADHM CSc1n[n-]c(NC(=O)CCc2nc3cc(Br)ccc3s2)n1 ZINC000463631319 566422395 /nfs/dbraw/zinc/42/23/95/566422395.db2.gz WVCXPCWZDIMLKM-UHFFFAOYSA-N -1 3 398.311 3.470 20 0 GGADHM CSc1nc(NC(=O)CCc2nc3cc(Br)ccc3s2)n[n-]1 ZINC000463631319 566422397 /nfs/dbraw/zinc/42/23/97/566422397.db2.gz WVCXPCWZDIMLKM-UHFFFAOYSA-N -1 3 398.311 3.470 20 0 GGADHM COc1ccccc1[C@H](C)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000510947451 566422950 /nfs/dbraw/zinc/42/29/50/566422950.db2.gz HGMHFGPOGSPVMO-LBPRGKRZSA-N -1 3 386.876 3.117 20 0 GGADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccc(F)c1F ZINC000510957648 566423013 /nfs/dbraw/zinc/42/30/13/566423013.db2.gz IITYXHUIWVJXDP-JTQLQIEISA-N -1 3 392.830 3.386 20 0 GGADHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000510965872 566424389 /nfs/dbraw/zinc/42/43/89/566424389.db2.gz HAIAZQGAVFWXDM-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)s1 ZINC000557832634 566424836 /nfs/dbraw/zinc/42/48/36/566424836.db2.gz AZKGROPFUDIKSQ-LSDHHAIUSA-N -1 3 379.507 3.106 20 0 GGADHM CSc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000537166256 566426406 /nfs/dbraw/zinc/42/64/06/566426406.db2.gz XTZNEZMLJUAVQZ-UHFFFAOYSA-N -1 3 390.939 3.349 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@@H]2C)s1 ZINC000557836157 566427003 /nfs/dbraw/zinc/42/70/03/566427003.db2.gz NOLIOKSFLGVLHP-ZBEGNZNMSA-N -1 3 379.507 3.094 20 0 GGADHM COc1cc(NC(=O)CC[S@](=O)c2ccc([O-])cc2)c(OC)cc1Cl ZINC000463695436 566428062 /nfs/dbraw/zinc/42/80/62/566428062.db2.gz FMQBHHZPIYBKSN-VWLOTQADSA-N -1 3 383.853 3.199 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1c(F)cncc1F ZINC000511035018 566429487 /nfs/dbraw/zinc/42/94/87/566429487.db2.gz YGJYKECJXMMRSL-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1c(F)cncc1F ZINC000511032290 566429632 /nfs/dbraw/zinc/42/96/32/566429632.db2.gz SFYJHITYSBJYAA-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1c(F)cncc1F ZINC000511025335 566429668 /nfs/dbraw/zinc/42/96/68/566429668.db2.gz DJBYKQVPFXWSEA-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000650161287 566429698 /nfs/dbraw/zinc/42/96/98/566429698.db2.gz PIZYCTVIIVDIEP-LLVKDONJSA-N -1 3 381.391 3.472 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1c(F)cncc1F ZINC000511034253 566430039 /nfs/dbraw/zinc/43/00/39/566430039.db2.gz RCLOAHZKMNDIEY-SSDOTTSWSA-N -1 3 395.200 3.301 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1c(F)cncc1F ZINC000511033542 566430111 /nfs/dbraw/zinc/43/01/11/566430111.db2.gz QDOXPHOEFJWZDL-LURJTMIESA-N -1 3 383.239 3.223 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cccc2c1OCCC2 ZINC000650158344 566430475 /nfs/dbraw/zinc/43/04/75/566430475.db2.gz GSVKUMRQLGIWSX-UHFFFAOYSA-N -1 3 381.837 3.237 20 0 GGADHM O=C(CC1CCC1)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000463784097 566433285 /nfs/dbraw/zinc/43/32/85/566433285.db2.gz UXCCHNCHCDGQLY-UHFFFAOYSA-N -1 3 381.217 3.232 20 0 GGADHM CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000511077388 566434034 /nfs/dbraw/zinc/43/40/34/566434034.db2.gz BFQUAICGFHWNSK-ZDUSSCGKSA-N -1 3 386.926 3.337 20 0 GGADHM CC(C)CN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000577426907 566434141 /nfs/dbraw/zinc/43/41/41/566434141.db2.gz MAWPNXOFEZYPJT-UHFFFAOYSA-N -1 3 392.297 3.117 20 0 GGADHM CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000511077385 566434612 /nfs/dbraw/zinc/43/46/12/566434612.db2.gz BFQUAICGFHWNSK-CYBMUJFWSA-N -1 3 386.926 3.337 20 0 GGADHM CCCN(C)[C@H](CNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601985488 566437264 /nfs/dbraw/zinc/43/72/64/566437264.db2.gz ZKRYHTQFIPFCMY-HEHGZKQESA-N -1 3 386.945 3.434 20 0 GGADHM CCCN(C)[C@H](CNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601985482 566437374 /nfs/dbraw/zinc/43/73/74/566437374.db2.gz ZKRYHTQFIPFCMY-DVOMOZLQSA-N -1 3 386.945 3.434 20 0 GGADHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)cc1F ZINC000650205412 566437250 /nfs/dbraw/zinc/43/72/50/566437250.db2.gz ODNZNHGRSNXHCM-UHFFFAOYSA-N -1 3 390.839 3.359 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1cccc(Cl)c1Cl ZINC000447844187 566438068 /nfs/dbraw/zinc/43/80/68/566438068.db2.gz PHQINJAFVCGPGT-UHFFFAOYSA-N -1 3 383.203 3.468 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c1 ZINC000557951406 566438097 /nfs/dbraw/zinc/43/80/97/566438097.db2.gz LFZBXFWKGJKCPB-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C2(c3nc[nH]n3)CCC2)c1Cl ZINC000671685322 566438715 /nfs/dbraw/zinc/43/87/15/566438715.db2.gz YFIRAUALNOEDRS-UHFFFAOYSA-N -1 3 375.281 3.086 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(SCCN2CCCC2)cc1 ZINC000650218147 566439192 /nfs/dbraw/zinc/43/91/92/566439192.db2.gz TULSHPQYUGRLHT-UHFFFAOYSA-N -1 3 381.523 3.280 20 0 GGADHM Cn1c(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)nnc1C1CC1 ZINC000463857017 566439440 /nfs/dbraw/zinc/43/94/40/566439440.db2.gz QDSQIGJOLXGIOI-UHFFFAOYSA-N -1 3 382.898 3.039 20 0 GGADHM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000447867206 566439507 /nfs/dbraw/zinc/43/95/07/566439507.db2.gz VUMHVZYIDFOASP-QGZVFWFLSA-N -1 3 384.498 3.021 20 0 GGADHM COCc1c(Br)cccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577503612 566440911 /nfs/dbraw/zinc/44/09/11/566440911.db2.gz AAGNCRFGWBDZTH-UHFFFAOYSA-N -1 3 378.226 3.221 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000671697470 566441063 /nfs/dbraw/zinc/44/10/63/566441063.db2.gz ORYYYWSDYZAUMF-CYBMUJFWSA-N -1 3 392.308 3.242 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2Cl)nc1C ZINC000537354159 566441089 /nfs/dbraw/zinc/44/10/89/566441089.db2.gz ZYRKYRWQOMRRNP-UHFFFAOYSA-N -1 3 392.308 3.013 20 0 GGADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2)CC1 ZINC000537346785 566441103 /nfs/dbraw/zinc/44/11/03/566441103.db2.gz BXDJGQSFCLAWDO-UHFFFAOYSA-N -1 3 383.828 3.485 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccco1 ZINC000447872364 566441386 /nfs/dbraw/zinc/44/13/86/566441386.db2.gz AKYGVWGVLWJZKH-ZDUSSCGKSA-N -1 3 381.347 3.494 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1nccs1 ZINC000447873895 566442036 /nfs/dbraw/zinc/44/20/36/566442036.db2.gz JJEKCZNJIHDCKN-AWEZNQCLSA-N -1 3 380.413 3.487 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1ccc(Cl)cc1Br ZINC000511190951 566443464 /nfs/dbraw/zinc/44/34/64/566443464.db2.gz OEMPEHJZUZNGTG-LBPRGKRZSA-N -1 3 396.734 3.322 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1c[nH]c2ncccc12 ZINC000511185389 566444321 /nfs/dbraw/zinc/44/43/21/566444321.db2.gz OCNUVNVROZUHEE-UHFFFAOYSA-N -1 3 379.825 3.178 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1ccc(Br)cc1Cl ZINC000511221804 566445138 /nfs/dbraw/zinc/44/51/38/566445138.db2.gz KTKHSPLDFBRQNL-LBPRGKRZSA-N -1 3 396.734 3.322 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2Cl)c1 ZINC000558048800 566445920 /nfs/dbraw/zinc/44/59/20/566445920.db2.gz VOOBNFMQQFCXFI-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1cc(Br)ccc1Cl ZINC000511206517 566445977 /nfs/dbraw/zinc/44/59/77/566445977.db2.gz LKEUTXDYWVVYOG-LBPRGKRZSA-N -1 3 396.734 3.322 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1ccc(C)c(C)c1 ZINC000558082928 566447236 /nfs/dbraw/zinc/44/72/36/566447236.db2.gz IDNUIQGLBSENRU-KRWDZBQOSA-N -1 3 381.881 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CCc1c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cnn1CC(C)C ZINC000511390939 566461426 /nfs/dbraw/zinc/46/14/26/566461426.db2.gz MAMYOGPJKPPQSV-UHFFFAOYSA-N -1 3 390.285 3.186 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)N=c3cc4ccc(Br)cn4[n-]3)c21 ZINC000511389293 566461443 /nfs/dbraw/zinc/46/14/43/566461443.db2.gz BBOWTWWNJZRBMF-UHFFFAOYSA-N -1 3 399.248 3.190 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1F ZINC000672064109 566463816 /nfs/dbraw/zinc/46/38/16/566463816.db2.gz RUTGHDBPZHQDJB-UHFFFAOYSA-N -1 3 381.816 3.121 20 0 GGADHM COc1cccc(OC(F)(F)F)c1C[N-]S(=O)(=O)c1ccccc1F ZINC000511427153 566464049 /nfs/dbraw/zinc/46/40/49/566464049.db2.gz SFWQIYJTCPMRPN-UHFFFAOYSA-N -1 3 379.331 3.211 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)c(F)cc1Br)c1cncc(Cl)c1 ZINC000511425255 566464332 /nfs/dbraw/zinc/46/43/32/566464332.db2.gz AFLFFGVAEGIWJV-UHFFFAOYSA-N -1 3 397.628 3.254 20 0 GGADHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCC[C@H]2C[C@H]21 ZINC000672127159 566465428 /nfs/dbraw/zinc/46/54/28/566465428.db2.gz RXXSXARKUWXKFY-DZGCQCFKSA-N -1 3 382.551 3.374 20 0 GGADHM CCSc1cccc(F)c1[N-]C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000484931958 566465479 /nfs/dbraw/zinc/46/54/79/566465479.db2.gz FKOFPWGVLMECOU-UHFFFAOYSA-N -1 3 382.482 3.440 20 0 GGADHM Cc1nnc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000577800706 566466105 /nfs/dbraw/zinc/46/61/05/566466105.db2.gz DNNNSJBAILEFSZ-UHFFFAOYSA-N -1 3 385.820 3.040 20 0 GGADHM COc1cc(Cl)c(Cl)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000485002219 566467777 /nfs/dbraw/zinc/46/77/77/566467777.db2.gz FKGJTWBFGTXWDV-UHFFFAOYSA-N -1 3 384.145 3.461 20 0 GGADHM COc1cc(Cl)c(Cl)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000485002219 566467780 /nfs/dbraw/zinc/46/77/80/566467780.db2.gz FKGJTWBFGTXWDV-UHFFFAOYSA-N -1 3 384.145 3.461 20 0 GGADHM COc1cc(Cl)c(Cl)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000485002219 566467786 /nfs/dbraw/zinc/46/77/86/566467786.db2.gz FKGJTWBFGTXWDV-UHFFFAOYSA-N -1 3 384.145 3.461 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1 ZINC000464360665 566468869 /nfs/dbraw/zinc/46/88/69/566468869.db2.gz FQHACOIKBMCJOB-ZETCQYMHSA-N -1 3 376.194 3.077 20 0 GGADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000464356879 566469514 /nfs/dbraw/zinc/46/95/14/566469514.db2.gz BNKQYUVUXUALAR-LBPRGKRZSA-N -1 3 380.432 3.178 20 0 GGADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000464365541 566469942 /nfs/dbraw/zinc/46/99/42/566469942.db2.gz OLSFSXXVGOMVNA-QMMMGPOBSA-N -1 3 390.221 3.385 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC000577871198 566470589 /nfs/dbraw/zinc/47/05/89/566470589.db2.gz KYSYXSWUYCSYBH-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM Cc1c(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000464373420 566471238 /nfs/dbraw/zinc/47/12/38/566471238.db2.gz FCRMTNGGJLQHOF-SECBINFHSA-N -1 3 381.807 3.453 20 0 GGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cc1cccc(Cl)c1Cl ZINC000448395273 566473255 /nfs/dbraw/zinc/47/32/55/566473255.db2.gz AWBYFXLZLVEMFJ-UHFFFAOYSA-N -1 3 385.203 3.076 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1c[nH]c2cccc(Br)c12 ZINC000558441632 566473336 /nfs/dbraw/zinc/47/33/36/566473336.db2.gz RAEFTZKVBMSIEK-UHFFFAOYSA-N -1 3 398.282 3.056 20 0 GGADHM CN(Cc1ccoc1)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000511608619 566475767 /nfs/dbraw/zinc/47/57/67/566475767.db2.gz FSQRFRQRSZHJAL-UHFFFAOYSA-N -1 3 396.515 3.153 20 0 GGADHM CCc1[nH]nc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)c1Br ZINC000448540149 566477220 /nfs/dbraw/zinc/47/72/20/566477220.db2.gz ZEUFIZUAJIQMBH-UHFFFAOYSA-N -1 3 379.189 3.203 20 0 GGADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)s1 ZINC000558478814 566477937 /nfs/dbraw/zinc/47/79/37/566477937.db2.gz DUHLXKSSAXHZFC-UHFFFAOYSA-N -1 3 396.563 3.486 20 0 GGADHM CCc1cc(C)nc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000672325137 566479301 /nfs/dbraw/zinc/47/93/01/566479301.db2.gz KILATAZZTUOTAK-UHFFFAOYSA-N -1 3 389.308 3.045 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1CN(CC(=O)[O-])CC1CC1 ZINC000650798328 566479163 /nfs/dbraw/zinc/47/91/63/566479163.db2.gz UXOJCSRCPYSGOO-UHFFFAOYSA-N -1 3 378.270 3.240 20 0 GGADHM O=C(NCc1ccc(Br)c(F)c1)c1c[n-]nc1-c1ccccn1 ZINC000558507745 566481682 /nfs/dbraw/zinc/48/16/82/566481682.db2.gz HKEVASSDDYGBPJ-UHFFFAOYSA-N -1 3 375.201 3.303 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H]2CCO[C@H]21 ZINC000578005882 566482853 /nfs/dbraw/zinc/48/28/53/566482853.db2.gz WWAHPWCZPAWITQ-ZWKOPEQDSA-N -1 3 394.718 3.194 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@H]2CCO[C@H]21 ZINC000578005880 566483247 /nfs/dbraw/zinc/48/32/47/566483247.db2.gz WWAHPWCZPAWITQ-OASPWFOLSA-N -1 3 394.718 3.194 20 0 GGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1c(F)cccc1OC(F)(F)F ZINC000672378843 566484314 /nfs/dbraw/zinc/48/43/14/566484314.db2.gz QYYHXLLMALMCNV-LLVKDONJSA-N -1 3 375.343 3.343 20 0 GGADHM CC[C@H](C)[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OC ZINC000578029330 566484513 /nfs/dbraw/zinc/48/45/13/566484513.db2.gz KWHTXTCUNMPWMM-MGPLVRAMSA-N -1 3 381.270 3.082 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)s1 ZINC000578019788 566484981 /nfs/dbraw/zinc/48/49/81/566484981.db2.gz GFDBKMANJBKDJM-MRXNPFEDSA-N -1 3 379.507 3.311 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(C)cc2I)o1 ZINC000538016042 566487976 /nfs/dbraw/zinc/48/79/76/566487976.db2.gz WYURYZFSZPWVBC-UHFFFAOYSA-N -1 3 395.193 3.441 20 0 GGADHM CCn1cc(CN(C(=O)NCc2ccc([O-])c(Br)c2)C(C)C)cn1 ZINC000650974596 566488679 /nfs/dbraw/zinc/48/86/79/566488679.db2.gz RQFUGXGLMNJFFC-UHFFFAOYSA-N -1 3 395.301 3.491 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000672427720 566488862 /nfs/dbraw/zinc/48/88/62/566488862.db2.gz VJBYUQKEJVFXJY-LLVKDONJSA-N -1 3 394.356 3.269 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc(Br)c(Cl)c1 ZINC000578090674 566489701 /nfs/dbraw/zinc/48/97/01/566489701.db2.gz VWXLEFWLJPOUTF-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2C)s1 ZINC000578090578 566489871 /nfs/dbraw/zinc/48/98/71/566489871.db2.gz QLEYTTPQDMJLNH-HNNXBMFYSA-N -1 3 381.523 3.476 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000672428838 566490045 /nfs/dbraw/zinc/49/00/45/566490045.db2.gz BMWIBGXNISSSDP-NSHDSACASA-N -1 3 378.252 3.187 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)cc(Cl)c1 ZINC000672428350 566490258 /nfs/dbraw/zinc/49/02/58/566490258.db2.gz MZUDIPZGUKWUKC-NSHDSACASA-N -1 3 378.252 3.187 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)ccc1C(F)(F)F ZINC000558589488 566490318 /nfs/dbraw/zinc/49/03/18/566490318.db2.gz SFKJTRRNYKDOAB-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000672429543 566490468 /nfs/dbraw/zinc/49/04/68/566490468.db2.gz UYPYPYMSTMMNMH-LLVKDONJSA-N -1 3 378.252 3.187 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000672428837 566490589 /nfs/dbraw/zinc/49/05/89/566490589.db2.gz BMWIBGXNISSSDP-LLVKDONJSA-N -1 3 378.252 3.187 20 0 GGADHM O=C(N[C@H]1COc2ccccc2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753723 566491285 /nfs/dbraw/zinc/49/12/85/566491285.db2.gz UBBGLTOUAHBTRO-CYBMUJFWSA-N -1 3 399.244 3.024 20 0 GGADHM CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000511846166 566491614 /nfs/dbraw/zinc/49/16/14/566491614.db2.gz CFHKHORUYXSTPY-VHSXEESVSA-N -1 3 392.955 3.397 20 0 GGADHM CCc1cccc(C)c1N=c1[n-]nc(SC[C@H](O)CN(C)C2CC2)s1 ZINC000558596283 566491885 /nfs/dbraw/zinc/49/18/85/566491885.db2.gz HDGHEDHSWIHAFD-OAHLLOKOSA-N -1 3 378.567 3.122 20 0 GGADHM COCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000602752843 566491963 /nfs/dbraw/zinc/49/19/63/566491963.db2.gz DVMSUOAAVAMECV-UHFFFAOYSA-N -1 3 393.281 3.322 20 0 GGADHM C[C@H]1CCC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511904524 566495256 /nfs/dbraw/zinc/49/52/56/566495256.db2.gz VUFOOPDZUPZOOK-QWHCGFSZSA-N -1 3 390.908 3.090 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000538135844 566495377 /nfs/dbraw/zinc/49/53/77/566495377.db2.gz XJUAQOQPSDAYAB-UHFFFAOYSA-N -1 3 377.853 3.473 20 0 GGADHM C[C@@H]1C[C@@]1(NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000558642207 566495527 /nfs/dbraw/zinc/49/55/27/566495527.db2.gz QFSVICNHORWAQX-PXAZEXFGSA-N -1 3 398.937 3.121 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000464666049 566495867 /nfs/dbraw/zinc/49/58/67/566495867.db2.gz GHVUOIQTPIGULL-HNNXBMFYSA-N -1 3 384.567 3.378 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCCC2(C1)CCCCCC2 ZINC000464665227 566496077 /nfs/dbraw/zinc/49/60/77/566496077.db2.gz PMHUGHIFQLLLLF-UHFFFAOYSA-N -1 3 384.567 3.380 20 0 GGADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000485426600 566497295 /nfs/dbraw/zinc/49/72/95/566497295.db2.gz QHAHGLIIBVEWCX-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM C[C@@H](CC1CCCC1)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511914855 566497439 /nfs/dbraw/zinc/49/74/39/566497439.db2.gz RDCMKBTUGCIKEX-LBPRGKRZSA-N -1 3 390.908 3.090 20 0 GGADHM CC1(C)CCC(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000511946763 566498056 /nfs/dbraw/zinc/49/80/56/566498056.db2.gz LPLZFKDWYZARQE-UHFFFAOYSA-N -1 3 390.908 3.090 20 0 GGADHM CCCC[C@@H](CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511946753 566498967 /nfs/dbraw/zinc/49/89/67/566498967.db2.gz LMRWFFUMXAQYLV-GFCCVEGCSA-N -1 3 378.897 3.090 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000578169710 566499040 /nfs/dbraw/zinc/49/90/40/566499040.db2.gz BAZUDKIYPNUMJN-JTQLQIEISA-N -1 3 388.258 3.203 20 0 GGADHM CCSc1cccc(Br)c1[N-]C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000464706154 566500456 /nfs/dbraw/zinc/50/04/56/566500456.db2.gz CGLUDMUROVGRGM-SNVBAGLBSA-N -1 3 397.298 3.366 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000578225705 566503817 /nfs/dbraw/zinc/50/38/17/566503817.db2.gz PDAFNMNVEWIPTG-ZFWWWQNUSA-N -1 3 385.913 3.366 20 0 GGADHM O=C(CCc1nc2cc(Br)ccc2s1)Nc1ccncc1[O-] ZINC000512005508 566504448 /nfs/dbraw/zinc/50/44/48/566504448.db2.gz CPIPNNVFJKMMHQ-UHFFFAOYSA-N -1 3 378.251 3.153 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2csnc2C)c(F)cc1F ZINC000512019676 566505283 /nfs/dbraw/zinc/50/52/83/566505283.db2.gz JBZSRZMZEBSXEE-UHFFFAOYSA-N -1 3 375.422 3.134 20 0 GGADHM O=S(=O)(CCOCC1CC1)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000424062109 566506283 /nfs/dbraw/zinc/50/62/83/566506283.db2.gz GDUDJTGLKYBGHL-UHFFFAOYSA-N -1 3 390.958 3.062 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C(C(C)C)C(C)C)c(OC)cc1Br ZINC000672797420 566507055 /nfs/dbraw/zinc/50/70/55/566507055.db2.gz UYEHWMBCIMNHJJ-UHFFFAOYSA-N -1 3 394.331 3.425 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CC)c(Br)c1 ZINC000512026366 566507169 /nfs/dbraw/zinc/50/71/69/566507169.db2.gz SZQQGNXAEKVFMA-QWRGUYRKSA-N -1 3 392.315 3.339 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(C)c1Cl)c1ccccc1 ZINC000538318642 566507141 /nfs/dbraw/zinc/50/71/41/566507141.db2.gz ZNIIYUCBGFLWLI-DYVFJYSZSA-N -1 3 381.881 3.477 20 0 GGADHM CC(=O)c1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)nc1C ZINC000485523268 566507976 /nfs/dbraw/zinc/50/79/76/566507976.db2.gz VGBZLKAIPVUIDV-UHFFFAOYSA-N -1 3 377.238 3.299 20 0 GGADHM COc1c(Br)cc(CN(C)C[C@@H](C)C(=O)[O-])cc1Br ZINC000578303617 566509812 /nfs/dbraw/zinc/50/98/12/566509812.db2.gz YWKLCVAOWXLREI-MRVPVSSYSA-N -1 3 395.091 3.373 20 0 GGADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(F)cc(Cl)c2)s1 ZINC000464916768 566510185 /nfs/dbraw/zinc/51/01/85/566510185.db2.gz LNKQFSIERWBOPA-UHFFFAOYSA-N -1 3 375.834 3.238 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000578310052 566511008 /nfs/dbraw/zinc/51/10/08/566511008.db2.gz XUWAQLXUEMKIGO-UHFFFAOYSA-N -1 3 396.248 3.265 20 0 GGADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000672889383 566513770 /nfs/dbraw/zinc/51/37/70/566513770.db2.gz CSCAXSQQMNLKBY-UHFFFAOYSA-N -1 3 384.807 3.234 20 0 GGADHM C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C[C@H]1C ZINC000464977982 566513911 /nfs/dbraw/zinc/51/39/11/566513911.db2.gz FNQPOOWVNGDVBS-ZIAGYGMSSA-N -1 3 384.567 3.477 20 0 GGADHM C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C[C@H]1C ZINC000464975388 566514196 /nfs/dbraw/zinc/51/41/96/566514196.db2.gz XUMDLFRWUGADSI-VXGBXAGGSA-N -1 3 384.548 3.016 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc2ncc(Br)cc2c1 ZINC000672896183 566514175 /nfs/dbraw/zinc/51/41/75/566514175.db2.gz JLMHPDUAHIMYIQ-UHFFFAOYSA-N -1 3 376.185 3.167 20 0 GGADHM C[C@H](Cc1cccc(O)c1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000485614524 566514184 /nfs/dbraw/zinc/51/41/84/566514184.db2.gz NRCGLXAOFPXNAX-LLVKDONJSA-N -1 3 379.254 3.291 20 0 GGADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2ccc(Br)cc2C1 ZINC000578346907 566514440 /nfs/dbraw/zinc/51/44/40/566514440.db2.gz FLKAYRMTAZPJFY-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2ccc(Br)cc2C1 ZINC000578346907 566514442 /nfs/dbraw/zinc/51/44/42/566514442.db2.gz FLKAYRMTAZPJFY-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2ccc(Br)cc2C1 ZINC000578346907 566514445 /nfs/dbraw/zinc/51/44/45/566514445.db2.gz FLKAYRMTAZPJFY-UHFFFAOYSA-N -1 3 375.201 3.058 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2cc1Br ZINC000485641549 566515185 /nfs/dbraw/zinc/51/51/85/566515185.db2.gz HALINTFFAMAPAJ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2cc1Br ZINC000485641549 566515190 /nfs/dbraw/zinc/51/51/90/566515190.db2.gz HALINTFFAMAPAJ-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000448962094 566515682 /nfs/dbraw/zinc/51/56/82/566515682.db2.gz OWWXVPCVANEHIW-CYBMUJFWSA-N -1 3 393.256 3.231 20 0 GGADHM CC[C@H]1CCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465026290 566516145 /nfs/dbraw/zinc/51/61/45/566516145.db2.gz AHVGHUZJZPBMMD-SMDDNHRTSA-N -1 3 393.336 3.357 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OC(C)C ZINC000512147649 566516895 /nfs/dbraw/zinc/51/68/95/566516895.db2.gz OTBDPIZJJPJZHU-ZDUSSCGKSA-N -1 3 381.416 3.350 20 0 GGADHM Cc1cc(Br)cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000485670625 566517148 /nfs/dbraw/zinc/51/71/48/566517148.db2.gz WQMKTMUJQQFFSM-UHFFFAOYSA-N -1 3 383.267 3.381 20 0 GGADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)OC(C)C ZINC000512161983 566518441 /nfs/dbraw/zinc/51/84/41/566518441.db2.gz ZSHAVZLEMAIKKK-JTQLQIEISA-N -1 3 398.344 3.155 20 0 GGADHM CC(=O)N(c1nc(CSCCc2nnn[n-]2)cs1)c1cccc(Cl)c1 ZINC000603336586 566519490 /nfs/dbraw/zinc/51/94/90/566519490.db2.gz HGPUZUFEYANLSV-UHFFFAOYSA-N -1 3 394.913 3.470 20 0 GGADHM CC(=O)N(c1nc(CSCCc2nn[n-]n2)cs1)c1cccc(Cl)c1 ZINC000603336586 566519495 /nfs/dbraw/zinc/51/94/95/566519495.db2.gz HGPUZUFEYANLSV-UHFFFAOYSA-N -1 3 394.913 3.470 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccs1 ZINC000512204540 566520104 /nfs/dbraw/zinc/52/01/04/566520104.db2.gz VLQPKSPHNVHBBZ-CQSZACIVSA-N -1 3 390.452 3.320 20 0 GGADHM C[C@H](SCCc1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000603336474 566520418 /nfs/dbraw/zinc/52/04/18/566520418.db2.gz CFNFLBXLWJCCEB-ZETCQYMHSA-N -1 3 379.795 3.175 20 0 GGADHM C[C@H](SCCc1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000603336474 566520425 /nfs/dbraw/zinc/52/04/25/566520425.db2.gz CFNFLBXLWJCCEB-ZETCQYMHSA-N -1 3 379.795 3.175 20 0 GGADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc2c1C ZINC000424210427 566520544 /nfs/dbraw/zinc/52/05/44/566520544.db2.gz DNPJTTAFBQODFO-SECBINFHSA-N -1 3 379.356 3.147 20 0 GGADHM O=C(CSCCc1nnn[n-]1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000603339484 566520611 /nfs/dbraw/zinc/52/06/11/566520611.db2.gz ODWGSRAMLACGET-ZDUSSCGKSA-N -1 3 386.308 3.146 20 0 GGADHM O=C(CSCCc1nn[n-]n1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000603339484 566520617 /nfs/dbraw/zinc/52/06/17/566520617.db2.gz ODWGSRAMLACGET-ZDUSSCGKSA-N -1 3 386.308 3.146 20 0 GGADHM CCCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1 ZINC000465125589 566521667 /nfs/dbraw/zinc/52/16/67/566521667.db2.gz BCBJJJAHWBYRIQ-GFCCVEGCSA-N -1 3 378.947 3.155 20 0 GGADHM Cc1nscc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512287264 566522563 /nfs/dbraw/zinc/52/25/63/566522563.db2.gz GWWBSAMEOFTWTO-UHFFFAOYSA-N -1 3 381.230 3.417 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1 ZINC000651501446 566525901 /nfs/dbraw/zinc/52/59/01/566525901.db2.gz UDIGLIBSPASQNP-UHFFFAOYSA-N -1 3 380.897 3.323 20 0 GGADHM CCSc1nnc([N-]C(=O)c2cc(Br)c(C)nc2OC)s1 ZINC000485772766 566526355 /nfs/dbraw/zinc/52/63/55/566526355.db2.gz VAFYSPAUANHAST-UHFFFAOYSA-N -1 3 389.300 3.377 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCCC2(C)C)c(Cl)c1Cl ZINC000559115541 566526398 /nfs/dbraw/zinc/52/63/98/566526398.db2.gz VNHZBMUJIUKOMU-HNNXBMFYSA-N -1 3 382.309 3.222 20 0 GGADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000559106037 566526496 /nfs/dbraw/zinc/52/64/96/566526496.db2.gz OWHXKQANOAQJPK-UHFFFAOYSA-N -1 3 379.265 3.339 20 0 GGADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000603419766 566526479 /nfs/dbraw/zinc/52/64/79/566526479.db2.gz VVLLFNKWZQZDDP-OBWXTZQISA-N -1 3 387.567 3.433 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC000651511401 566527595 /nfs/dbraw/zinc/52/75/95/566527595.db2.gz GKDQDMCBJZCYGD-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM O=C(CC[C@@H]1CCCO1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512332364 566527692 /nfs/dbraw/zinc/52/76/92/566527692.db2.gz UWKAFWOHVYFANN-ZDUSSCGKSA-N -1 3 382.233 3.298 20 0 GGADHM CCOc1ncccc1C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651511432 566527654 /nfs/dbraw/zinc/52/76/54/566527654.db2.gz HJXMREMBKPGXGU-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM CC(C)COCCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512329734 566527974 /nfs/dbraw/zinc/52/79/74/566527974.db2.gz HUBPHPAUNWZMTH-UHFFFAOYSA-N -1 3 384.249 3.401 20 0 GGADHM O=C(Cc1ccccc1O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512357485 566528290 /nfs/dbraw/zinc/52/82/90/566528290.db2.gz IGXSOZKHKTYLKA-UHFFFAOYSA-N -1 3 390.212 3.287 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc2occc2c1)c1ccc(Cl)cc1F ZINC000512395633 566530485 /nfs/dbraw/zinc/53/04/85/566530485.db2.gz YJOQEPFVPOOKMI-UHFFFAOYSA-N -1 3 382.844 3.293 20 0 GGADHM O=S(=O)([N-]C[C@H]1OCCc2ccccc21)c1ccc(Br)s1 ZINC000603506564 566530493 /nfs/dbraw/zinc/53/04/93/566530493.db2.gz UCOKXZWIGBNKEJ-GFCCVEGCSA-N -1 3 388.308 3.103 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F ZINC000651537177 566530807 /nfs/dbraw/zinc/53/08/07/566530807.db2.gz WSFUIXROFWSZCI-ZETCQYMHSA-N -1 3 396.250 3.065 20 0 GGADHM CSCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000603499259 566531172 /nfs/dbraw/zinc/53/11/72/566531172.db2.gz RWMAKRDBALLIIM-UHFFFAOYSA-N -1 3 384.910 3.234 20 0 GGADHM CSCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000603499137 566531202 /nfs/dbraw/zinc/53/12/02/566531202.db2.gz KHHJEMSCRDZRCB-UHFFFAOYSA-N -1 3 378.519 3.197 20 0 GGADHM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1ccc(Cl)cc1Cl ZINC000559180047 566531602 /nfs/dbraw/zinc/53/16/02/566531602.db2.gz QLIHZZHHGQGDQD-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000578546995 566531655 /nfs/dbraw/zinc/53/16/55/566531655.db2.gz UJKCOEMINAQOOR-UHFFFAOYSA-N -1 3 392.253 3.103 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2sc(Br)cc2C)c1C ZINC000651546739 566532426 /nfs/dbraw/zinc/53/24/26/566532426.db2.gz FHHTYPZJPSIMJU-UHFFFAOYSA-N -1 3 392.344 3.131 20 0 GGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000485842457 566532668 /nfs/dbraw/zinc/53/26/68/566532668.db2.gz IOVYLVNTFYJKER-AWEZNQCLSA-N -1 3 375.266 3.472 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000538753530 566533163 /nfs/dbraw/zinc/53/31/63/566533163.db2.gz SGGMDJSDJWZZRV-UHFFFAOYSA-N -1 3 394.758 3.341 20 0 GGADHM CCOCCC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000578565466 566533260 /nfs/dbraw/zinc/53/32/60/566533260.db2.gz WURZGSSJERMGIR-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1c(C)noc1C ZINC000651559953 566533430 /nfs/dbraw/zinc/53/34/30/566533430.db2.gz NWYTUSGDLVMYGD-MRVPVSSYSA-N -1 3 379.301 3.463 20 0 GGADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1Cl ZINC000578559785 566533633 /nfs/dbraw/zinc/53/36/33/566533633.db2.gz XEYWSPUHYGRLFM-YOEHRIQHSA-N -1 3 386.300 3.438 20 0 GGADHM CCOC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000578569093 566533681 /nfs/dbraw/zinc/53/36/81/566533681.db2.gz VMDVNLZXJDQVCZ-UHFFFAOYSA-N -1 3 393.281 3.370 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000485866508 566533693 /nfs/dbraw/zinc/53/36/93/566533693.db2.gz UXMIFYPELVHIKM-LBPRGKRZSA-N -1 3 383.491 3.088 20 0 GGADHM CCc1noc(C)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000603556833 566534041 /nfs/dbraw/zinc/53/40/41/566534041.db2.gz RXLBMIMMLUPVHA-UHFFFAOYSA-N -1 3 376.214 3.345 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000485854521 566534214 /nfs/dbraw/zinc/53/42/14/566534214.db2.gz ZTAVVUMSAQLJME-UHFFFAOYSA-N -1 3 383.853 3.250 20 0 GGADHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000465502573 566534939 /nfs/dbraw/zinc/53/49/39/566534939.db2.gz RAIGQEFRLJZEGG-UHFFFAOYSA-N -1 3 381.322 3.492 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@](C)(CO)c1ccccc1 ZINC000651570591 566535420 /nfs/dbraw/zinc/53/54/20/566535420.db2.gz HQAPHSDMFICNPK-CQSZACIVSA-N -1 3 390.324 3.005 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000485885599 566535839 /nfs/dbraw/zinc/53/58/39/566535839.db2.gz WYLVMKORYFQWNU-UHFFFAOYSA-N -1 3 398.893 3.190 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)s1 ZINC000485877717 566536248 /nfs/dbraw/zinc/53/62/48/566536248.db2.gz AHJOTHHMSZQEMG-UHFFFAOYSA-N -1 3 398.893 3.190 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503354 566538745 /nfs/dbraw/zinc/53/87/45/566538745.db2.gz JFVPZTXILJGXBY-WDEREUQCSA-N -1 3 381.885 3.214 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502672 566538819 /nfs/dbraw/zinc/53/88/19/566538819.db2.gz FJLYBLHTYJPGNQ-GARJFASQSA-N -1 3 381.885 3.385 20 0 GGADHM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673504917 566539108 /nfs/dbraw/zinc/53/91/08/566539108.db2.gz UBXPCSNYKKXCOL-VHSXEESVSA-N -1 3 382.247 3.487 20 0 GGADHM C[C@@H](NC(=O)c1sccc1Br)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502814 566539231 /nfs/dbraw/zinc/53/92/31/566539231.db2.gz GEWSCVDILMZQKM-RKDXNWHRSA-N -1 3 398.282 3.004 20 0 GGADHM C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508111 566539640 /nfs/dbraw/zinc/53/96/40/566539640.db2.gz OPKHNUOWLINDJR-UWVGGRQHSA-N -1 3 382.247 3.487 20 0 GGADHM O=S(=O)(CCC1CC1)[N-]c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000538839934 566540692 /nfs/dbraw/zinc/54/06/92/566540692.db2.gz HCGBEIRUWFITOW-UHFFFAOYSA-N -1 3 383.466 3.200 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCCCNC(=O)c2cccc(Br)c2)c1 ZINC000512551257 566543189 /nfs/dbraw/zinc/54/31/89/566543189.db2.gz SEDPDIZUIDHRQI-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000651620804 566543407 /nfs/dbraw/zinc/54/34/07/566543407.db2.gz UAZSFTREDOGSSF-MRVPVSSYSA-N -1 3 393.332 3.100 20 0 GGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000603889465 566543651 /nfs/dbraw/zinc/54/36/51/566543651.db2.gz UYRJKBUXRZIVPY-ZDUSSCGKSA-N -1 3 375.881 3.214 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)c1 ZINC000485966230 566544652 /nfs/dbraw/zinc/54/46/52/566544652.db2.gz WSQZGNXGLSEFNA-HNNXBMFYSA-N -1 3 381.450 3.128 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000673584685 566544887 /nfs/dbraw/zinc/54/48/87/566544887.db2.gz PEEADOLMCGGNMX-UHFFFAOYSA-N -1 3 394.331 3.189 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)C)C1 ZINC000651627429 566544899 /nfs/dbraw/zinc/54/48/99/566544899.db2.gz YMEWCUQOIGQQON-QWRGUYRKSA-N -1 3 382.345 3.301 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651627332 566545005 /nfs/dbraw/zinc/54/50/05/566545005.db2.gz VHZRGTYHGKWCLB-UHFFFAOYSA-N -1 3 382.345 3.181 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1sc(Br)cc1C)c1ccco1 ZINC000651634000 566545042 /nfs/dbraw/zinc/54/50/42/566545042.db2.gz KKOFRAINWDZTHW-SNVBAGLBSA-N -1 3 394.312 3.468 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)C)C1 ZINC000651627428 566545317 /nfs/dbraw/zinc/54/53/17/566545317.db2.gz YMEWCUQOIGQQON-MNOVXSKESA-N -1 3 382.345 3.301 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000651644350 566546457 /nfs/dbraw/zinc/54/64/57/566546457.db2.gz OJSOKDIQDBKDNV-MNOVXSKESA-N -1 3 380.329 3.055 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](C)c1nccs1 ZINC000651641574 566546889 /nfs/dbraw/zinc/54/68/89/566546889.db2.gz XHXBWGKWAZPDGR-MRVPVSSYSA-N -1 3 381.342 3.358 20 0 GGADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000578709960 566547503 /nfs/dbraw/zinc/54/75/03/566547503.db2.gz MHHBKDMHOWDBIJ-AWEZNQCLSA-N -1 3 378.252 3.453 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN1Cc1ccccn1 ZINC000673636832 566547952 /nfs/dbraw/zinc/54/79/52/566547952.db2.gz CPHRFUPUNMAVPD-OAHLLOKOSA-N -1 3 376.254 3.153 20 0 GGADHM CCC[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OCC ZINC000628346634 566548477 /nfs/dbraw/zinc/54/84/77/566548477.db2.gz XOJJZZQEDOCTFJ-LBPRGKRZSA-N -1 3 381.270 3.226 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN1Cc1ccccn1 ZINC000673636830 566548670 /nfs/dbraw/zinc/54/86/70/566548670.db2.gz CPHRFUPUNMAVPD-HNNXBMFYSA-N -1 3 376.254 3.153 20 0 GGADHM CCC[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)OCC ZINC000628346633 566549403 /nfs/dbraw/zinc/54/94/03/566549403.db2.gz XOJJZZQEDOCTFJ-GFCCVEGCSA-N -1 3 381.270 3.226 20 0 GGADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000651671202 566550072 /nfs/dbraw/zinc/55/00/72/566550072.db2.gz JWISWHIJXBFGAX-WMLDXEAASA-N -1 3 387.835 3.063 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)s1 ZINC000604016889 566550917 /nfs/dbraw/zinc/55/09/17/566550917.db2.gz AQPIAXRAVAYLOM-UHFFFAOYSA-N -1 3 379.381 3.032 20 0 GGADHM COc1ccc(COCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000538968627 566551302 /nfs/dbraw/zinc/55/13/02/566551302.db2.gz IVSGCRNRSFSYOZ-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(F)cc3Cl)c2c1 ZINC000673697308 566551793 /nfs/dbraw/zinc/55/17/93/566551793.db2.gz WVAQMQSNGOQVSW-UHFFFAOYSA-N -1 3 382.844 3.490 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)c1 ZINC000673696986 566552011 /nfs/dbraw/zinc/55/20/11/566552011.db2.gz MKAMWJKCBBSBGJ-UHFFFAOYSA-N -1 3 375.416 3.079 20 0 GGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000673698967 566552051 /nfs/dbraw/zinc/55/20/51/566552051.db2.gz DXVSBDGDWVMLKU-UHFFFAOYSA-N -1 3 393.799 3.077 20 0 GGADHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000538973701 566551818 /nfs/dbraw/zinc/55/18/18/566551818.db2.gz OXWIWGUZSOWSKH-UHFFFAOYSA-N -1 3 392.308 3.085 20 0 GGADHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cccc(Cl)c3F)c2c1 ZINC000673697434 566552241 /nfs/dbraw/zinc/55/22/41/566552241.db2.gz ZTFUSVUWZPFVJT-UHFFFAOYSA-N -1 3 382.844 3.490 20 0 GGADHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3F)c2c1 ZINC000673696963 566552542 /nfs/dbraw/zinc/55/25/42/566552542.db2.gz KXMBQBNKLGKNQM-UHFFFAOYSA-N -1 3 382.844 3.490 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000512770772 566555313 /nfs/dbraw/zinc/55/53/13/566555313.db2.gz HGSUOBQYUIFYRD-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2sc(Br)cc2C)o1 ZINC000651716299 566555304 /nfs/dbraw/zinc/55/53/04/566555304.db2.gz SQDVXKFHPXZCCP-UHFFFAOYSA-N -1 3 379.301 3.156 20 0 GGADHM COC(=O)[C@](C)([N-]S(=O)(=O)CCCCF)c1ccc(Cl)c(Cl)c1 ZINC000578801738 566556083 /nfs/dbraw/zinc/55/60/83/566556083.db2.gz TUGJEBLJVWLXBB-CQSZACIVSA-N -1 3 386.272 3.051 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(F)c(F)c1 ZINC000486087613 566556499 /nfs/dbraw/zinc/55/64/99/566556499.db2.gz PXCGGXCFXZQNOB-CQSZACIVSA-N -1 3 391.823 3.293 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)(F)F)cc2)c[nH]1 ZINC000673819152 566557215 /nfs/dbraw/zinc/55/72/15/566557215.db2.gz WUPQOEJPEHWBOA-SNVBAGLBSA-N -1 3 377.388 3.471 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1CCOC(C)(C)C1 ZINC000651735277 566557930 /nfs/dbraw/zinc/55/79/30/566557930.db2.gz LGPVUYKCIAWOOT-JTQLQIEISA-N -1 3 382.345 3.303 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1CCC[C@H](F)C1 ZINC000424691991 566558413 /nfs/dbraw/zinc/55/84/13/566558413.db2.gz RMNLAPBZYZLRLG-UWVGGRQHSA-N -1 3 392.855 3.387 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(-c2ncc[nH]2)c1 ZINC000486111611 566558688 /nfs/dbraw/zinc/55/86/88/566558688.db2.gz RZBVVHCVCJKLKD-UHFFFAOYSA-N -1 3 377.853 3.217 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2csc(N(C)C)n2)c1Cl ZINC000673823430 566558830 /nfs/dbraw/zinc/55/88/30/566558830.db2.gz DGSXXVZHDCZMRB-UHFFFAOYSA-N -1 3 380.322 3.303 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cs1 ZINC000466257902 566559614 /nfs/dbraw/zinc/55/96/14/566559614.db2.gz QAVRKUMYANTCGY-UHFFFAOYSA-N -1 3 394.243 3.237 20 0 GGADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1ccc(F)cc1Cl ZINC000486125536 566561139 /nfs/dbraw/zinc/56/11/39/566561139.db2.gz QPNAHTBWQMTABW-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000539118985 566561304 /nfs/dbraw/zinc/56/13/04/566561304.db2.gz CHTOTCYGQGVYJF-UHFFFAOYSA-N -1 3 384.910 3.116 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000539116290 566561320 /nfs/dbraw/zinc/56/13/20/566561320.db2.gz VGDGFCMWQSPHOT-OCCSQVGLSA-N -1 3 376.862 3.053 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000539116289 566561497 /nfs/dbraw/zinc/56/14/97/566561497.db2.gz VGDGFCMWQSPHOT-JSGCOSHPSA-N -1 3 376.862 3.053 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000539116288 566561734 /nfs/dbraw/zinc/56/17/34/566561734.db2.gz VGDGFCMWQSPHOT-GXTWGEPZSA-N -1 3 376.862 3.053 20 0 GGADHM CCOc1c(Cl)cc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000466293119 566563079 /nfs/dbraw/zinc/56/30/79/566563079.db2.gz KFWUBSKYUYOBCL-CYBMUJFWSA-N -1 3 397.324 3.295 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)c[nH]1 ZINC000673885479 566564018 /nfs/dbraw/zinc/56/40/18/566564018.db2.gz YRIPIGAQNKLBQB-UHFFFAOYSA-N -1 3 380.214 3.375 20 0 GGADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000578902373 566564473 /nfs/dbraw/zinc/56/44/73/566564473.db2.gz FTRJNPVERJZXIN-HSZRJFAPSA-N -1 3 397.827 3.437 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)c(F)c1 ZINC000604407260 566564731 /nfs/dbraw/zinc/56/47/31/566564731.db2.gz OJVJKZNDYXGTRU-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM Cc1sc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1Br ZINC000424738569 566564748 /nfs/dbraw/zinc/56/47/48/566564748.db2.gz MXSVEBGLOBAPEW-UHFFFAOYSA-N -1 3 397.294 3.075 20 0 GGADHM O=S(=O)([N-]CCNCc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000512861355 566565063 /nfs/dbraw/zinc/56/50/63/566565063.db2.gz NZMQBDKGJXNDQF-UHFFFAOYSA-N -1 3 377.268 3.201 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1OC(F)F)c1ccccn1 ZINC000559640571 566565436 /nfs/dbraw/zinc/56/54/36/566565436.db2.gz MNBOHTZPQPAWAA-UHFFFAOYSA-N -1 3 383.203 3.468 20 0 GGADHM CCc1cnc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000512889838 566566081 /nfs/dbraw/zinc/56/60/81/566566081.db2.gz HOKHJXQJNBKAEU-UHFFFAOYSA-N -1 3 394.349 3.080 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000512908931 566567415 /nfs/dbraw/zinc/56/74/15/566567415.db2.gz OAUPJSHKHWTZGC-UHFFFAOYSA-N -1 3 377.268 3.201 20 0 GGADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000651850698 566568540 /nfs/dbraw/zinc/56/85/40/566568540.db2.gz JWYSFDIXAZNQQO-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OC ZINC000651849865 566568859 /nfs/dbraw/zinc/56/88/59/566568859.db2.gz GDKHAVWWMAFLTK-CHWSQXEVSA-N -1 3 392.315 3.084 20 0 GGADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000539237260 566569252 /nfs/dbraw/zinc/56/92/52/566569252.db2.gz ZVHWFNOPTKPMMD-UHFFFAOYSA-N -1 3 397.953 3.393 20 0 GGADHM COc1ccc(COCCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000559746877 566569494 /nfs/dbraw/zinc/56/94/94/566569494.db2.gz RNJIWUQYCSRCBR-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1ccc(F)c(F)c1 ZINC000559740453 566569766 /nfs/dbraw/zinc/56/97/66/566569766.db2.gz PNXJAYOQKPVPPX-UHFFFAOYSA-N -1 3 380.185 3.345 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C3CCC3)CC2)s1 ZINC000651871676 566571228 /nfs/dbraw/zinc/57/12/28/566571228.db2.gz YWYCCCCLKSEWBV-UHFFFAOYSA-N -1 3 384.567 3.064 20 0 GGADHM CC[C@@H](CSC)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000539256105 566571106 /nfs/dbraw/zinc/57/11/06/566571106.db2.gz XRSYCZDXKNSPHJ-NSHDSACASA-N -1 3 391.534 3.166 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)COCc1ccccc1 ZINC000486241063 566571500 /nfs/dbraw/zinc/57/15/00/566571500.db2.gz CXPUFFIFWIYWHL-AWEZNQCLSA-N -1 3 383.897 3.480 20 0 GGADHM O=S(=O)([N-]C1(C2CCC2)CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000651871216 566571538 /nfs/dbraw/zinc/57/15/38/566571538.db2.gz DOKXZUCXIVJLNL-ZDUSSCGKSA-N -1 3 385.913 3.366 20 0 GGADHM CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(OC)c([O-])c1Br ZINC000449508333 566571624 /nfs/dbraw/zinc/57/16/24/566571624.db2.gz GUASTDGGWHRVQD-OLZOCXBDSA-N -1 3 386.286 3.375 20 0 GGADHM CC1CCC(N2CCN(C(=O)c3cccc(Br)c3[O-])CC2)CC1 ZINC000604605952 566571960 /nfs/dbraw/zinc/57/19/60/566571960.db2.gz IZJJEUHMWATGSA-UHFFFAOYSA-N -1 3 381.314 3.491 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](CCC(C)C)C(C)(C)C)s1 ZINC000604595264 566572165 /nfs/dbraw/zinc/57/21/65/566572165.db2.gz FUDCFRMQAPUUTG-AWEZNQCLSA-N -1 3 389.587 3.306 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1 ZINC000486257013 566572550 /nfs/dbraw/zinc/57/25/50/566572550.db2.gz YRQVKGYBUFMPHA-UHFFFAOYSA-N -1 3 391.823 3.471 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCn1cnc2ccccc21 ZINC000486265589 566572636 /nfs/dbraw/zinc/57/26/36/566572636.db2.gz HQIRWBUADWPCQG-UHFFFAOYSA-N -1 3 379.869 3.067 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1cccc(F)c1)N(C)C ZINC000486250135 566572765 /nfs/dbraw/zinc/57/27/65/566572765.db2.gz AAMDDDSXTMEKQQ-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000651889179 566573085 /nfs/dbraw/zinc/57/30/85/566573085.db2.gz LCWFBCTVHUHBFU-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM COc1ccc(CNc2cnn([C@H]3CCOC3)c2C)c(Br)c1[O-] ZINC000449538698 566573160 /nfs/dbraw/zinc/57/31/60/566573160.db2.gz UIMGZMBCGDTEMC-LBPRGKRZSA-N -1 3 382.258 3.242 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1cccc(F)c1)N(C)C ZINC000486250136 566573386 /nfs/dbraw/zinc/57/33/86/566573386.db2.gz AAMDDDSXTMEKQQ-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000651886341 566573557 /nfs/dbraw/zinc/57/35/57/566573557.db2.gz SNVKZSUBIZAZHO-VIFPVBQESA-N -1 3 382.707 3.196 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000674046433 566573853 /nfs/dbraw/zinc/57/38/53/566573853.db2.gz ZDVSJGOBOQQDCM-LLVKDONJSA-N -1 3 380.329 3.022 20 0 GGADHM Cn1cc(Br)c(=NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000579012266 566574228 /nfs/dbraw/zinc/57/42/28/566574228.db2.gz YLXREGZNWZFTQP-UHFFFAOYSA-N -1 3 388.187 3.294 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccncc1 ZINC000674073797 566575136 /nfs/dbraw/zinc/57/51/36/566575136.db2.gz YOPHIYXEXUPOTJ-LBPRGKRZSA-N -1 3 399.310 3.152 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-n3cncn3)cc2)c1Cl ZINC000559925949 566576112 /nfs/dbraw/zinc/57/61/12/566576112.db2.gz WKYFPONMZRIAGN-UHFFFAOYSA-N -1 3 397.287 3.361 20 0 GGADHM CC(C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nccs1 ZINC000604751915 566576320 /nfs/dbraw/zinc/57/63/20/566576320.db2.gz BUIPXODSJFIJNB-UHFFFAOYSA-N -1 3 392.278 3.412 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccccn3)C2)c1Cl ZINC000513079198 566577214 /nfs/dbraw/zinc/57/72/14/566577214.db2.gz ADZRVFGZTXIYRQ-GFCCVEGCSA-N -1 3 386.304 3.254 20 0 GGADHM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000466468800 566578574 /nfs/dbraw/zinc/57/85/74/566578574.db2.gz LDKCPIHSFXRUAK-UHFFFAOYSA-N -1 3 394.193 3.242 20 0 GGADHM [O-]c1cc(F)cc(CNc2cnc(N3CCOCC3)c(Br)c2)c1 ZINC000466475157 566578595 /nfs/dbraw/zinc/57/85/95/566578595.db2.gz RYCBABGWDHNDJL-UHFFFAOYSA-N -1 3 382.233 3.138 20 0 GGADHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000539384476 566579045 /nfs/dbraw/zinc/57/90/45/566579045.db2.gz IVYLYAFKKAXCDT-CVEARBPZSA-N -1 3 397.294 3.077 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000513099091 566579096 /nfs/dbraw/zinc/57/90/96/566579096.db2.gz PYWHKQYFPJPJAK-UHFFFAOYSA-N -1 3 379.821 3.351 20 0 GGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000559972180 566579199 /nfs/dbraw/zinc/57/91/99/566579199.db2.gz HJLNQAQFRJPCCH-UHFFFAOYSA-N -1 3 380.853 3.047 20 0 GGADHM CC(C)(C)c1nc(=NC(=O)NC[C@@H](c2cccs2)N2CCCC2)s[n-]1 ZINC000604801148 566579218 /nfs/dbraw/zinc/57/92/18/566579218.db2.gz FFQTYZVKAIPAKR-LBPRGKRZSA-N -1 3 379.555 3.278 20 0 GGADHM CN(CC1(C)COC1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000628682645 566579983 /nfs/dbraw/zinc/57/99/83/566579983.db2.gz NIOAFGTXHWXCLI-UHFFFAOYSA-N -1 3 399.672 3.053 20 0 GGADHM CN(CC1(C)COC1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000628682645 566579994 /nfs/dbraw/zinc/57/99/94/566579994.db2.gz NIOAFGTXHWXCLI-UHFFFAOYSA-N -1 3 399.672 3.053 20 0 GGADHM COc1cc2c(cc1F)[n-]cc(C(=O)NCCc1ccc(Cl)s1)c2=O ZINC000539415170 566580745 /nfs/dbraw/zinc/58/07/45/566580745.db2.gz UCVCXTWMMSXYOO-UHFFFAOYSA-N -1 3 380.828 3.363 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ccc21 ZINC000513132147 566580896 /nfs/dbraw/zinc/58/08/96/566580896.db2.gz PYCRDEQVMJHRBE-MRXNPFEDSA-N -1 3 379.865 3.401 20 0 GGADHM C[C@]1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCCOC1 ZINC000559987754 566581556 /nfs/dbraw/zinc/58/15/56/566581556.db2.gz PQAJTZSGBHWNRL-INIZCTEOSA-N -1 3 390.241 3.352 20 0 GGADHM C[C@]1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCCOC1 ZINC000559987754 566581564 /nfs/dbraw/zinc/58/15/64/566581564.db2.gz PQAJTZSGBHWNRL-INIZCTEOSA-N -1 3 390.241 3.352 20 0 GGADHM C[C@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCOC1 ZINC000559987754 566581572 /nfs/dbraw/zinc/58/15/72/566581572.db2.gz PQAJTZSGBHWNRL-INIZCTEOSA-N -1 3 390.241 3.352 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1C ZINC000513121182 566581593 /nfs/dbraw/zinc/58/15/93/566581593.db2.gz ZWZRIEVZQGXBPW-ZDUSSCGKSA-N -1 3 381.881 3.345 20 0 GGADHM CCCSC[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)C(=O)[O-] ZINC000559982007 566581709 /nfs/dbraw/zinc/58/17/09/566581709.db2.gz ZYEXGHNJUADJNE-OAHLLOKOSA-N -1 3 398.326 3.321 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(CC4CCOCC4)n3)[n-]2)c1 ZINC000559986655 566582012 /nfs/dbraw/zinc/58/20/12/566582012.db2.gz GULUKINKJZLSMJ-UHFFFAOYSA-N -1 3 390.241 3.253 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(CC4CCOCC4)n3)n2)c1 ZINC000559986655 566582017 /nfs/dbraw/zinc/58/20/17/566582017.db2.gz GULUKINKJZLSMJ-UHFFFAOYSA-N -1 3 390.241 3.253 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(CC4CCOCC4)n3)n[n-]2)c1 ZINC000559986655 566582023 /nfs/dbraw/zinc/58/20/23/566582023.db2.gz GULUKINKJZLSMJ-UHFFFAOYSA-N -1 3 390.241 3.253 20 0 GGADHM O=S(=O)(Cc1ccc(Br)cc1)[N-][C@H]1COc2ccc(F)cc21 ZINC000466526614 566583099 /nfs/dbraw/zinc/58/30/99/566583099.db2.gz CAPPDMSJGFDBHA-AWEZNQCLSA-N -1 3 386.242 3.141 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N(C)C ZINC000674283760 566583343 /nfs/dbraw/zinc/58/33/43/566583343.db2.gz FAHJQHFZWNVMAQ-LBPRGKRZSA-N -1 3 381.885 3.029 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)no1 ZINC000560000536 566583896 /nfs/dbraw/zinc/58/38/96/566583896.db2.gz DJCWXCLIAMYFLY-UHFFFAOYSA-N -1 3 381.479 3.308 20 0 GGADHM Cc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c(Br)c1 ZINC000513133495 566584002 /nfs/dbraw/zinc/58/40/02/566584002.db2.gz JNALHCLQOXDYGL-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM O=C(CCn1cccc1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000674325322 566584368 /nfs/dbraw/zinc/58/43/68/566584368.db2.gz ZHKNHACULOPASW-UHFFFAOYSA-N -1 3 378.205 3.204 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1cc(C(F)(F)F)ccc1F ZINC000466548016 566584385 /nfs/dbraw/zinc/58/43/85/566584385.db2.gz KMDFZCYGNBKRIC-LBPRGKRZSA-N -1 3 379.306 3.396 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000513163640 566585417 /nfs/dbraw/zinc/58/54/17/566585417.db2.gz CUWZBBSSDSNPMV-UHFFFAOYSA-N -1 3 389.901 3.144 20 0 GGADHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)co1 ZINC000466566690 566586317 /nfs/dbraw/zinc/58/63/17/566586317.db2.gz LVRDNXNNPLDNTQ-UHFFFAOYSA-N -1 3 381.212 3.228 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000674340822 566586378 /nfs/dbraw/zinc/58/63/78/566586378.db2.gz QMRFSHBQSASVGC-CYBMUJFWSA-N -1 3 385.942 3.218 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1cccc(C(F)(F)F)c1 ZINC000674343289 566586473 /nfs/dbraw/zinc/58/64/73/566586473.db2.gz LLLMQIVSOOGMPI-CYBMUJFWSA-N -1 3 394.440 3.445 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000513175819 566586780 /nfs/dbraw/zinc/58/67/80/566586780.db2.gz LQXJOHFBYLLMFC-UHFFFAOYSA-N -1 3 392.235 3.398 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(C)(C)C ZINC000560029106 566586996 /nfs/dbraw/zinc/58/69/96/566586996.db2.gz QPBUUKUUTHQQSD-CYBMUJFWSA-N -1 3 377.890 3.238 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C1 ZINC000513176212 566587683 /nfs/dbraw/zinc/58/76/83/566587683.db2.gz OSRQZFVASNDWJZ-OLZOCXBDSA-N -1 3 391.942 3.469 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000674346006 566587914 /nfs/dbraw/zinc/58/79/14/566587914.db2.gz FOCBFJNBODYEPW-GFCCVEGCSA-N -1 3 395.750 3.255 20 0 GGADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000674346182 566588356 /nfs/dbraw/zinc/58/83/56/566588356.db2.gz JARVQJFWVAJAJF-LBPRGKRZSA-N -1 3 395.750 3.255 20 0 GGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000560037649 566588911 /nfs/dbraw/zinc/58/89/11/566588911.db2.gz UJRUYXNMSHQYAY-NWDGAFQWSA-N -1 3 390.933 3.153 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000539554703 566589054 /nfs/dbraw/zinc/58/90/54/566589054.db2.gz CCEJHUJZPMIORG-LLVKDONJSA-N -1 3 390.814 3.315 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1C(F)(F)F ZINC000560040808 566590298 /nfs/dbraw/zinc/59/02/98/566590298.db2.gz IXPYLNMQJMDZAN-UHFFFAOYSA-N -1 3 393.305 3.113 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1cc(Cl)ccc1F ZINC000560040753 566590715 /nfs/dbraw/zinc/59/07/15/566590715.db2.gz HYOJBDHMBQHUIY-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccc(Cl)cc1 ZINC000560058818 566591956 /nfs/dbraw/zinc/59/19/56/566591956.db2.gz QTIFCYPDCDFPHK-OAHLLOKOSA-N -1 3 386.901 3.433 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccc(Cl)cc1 ZINC000560058817 566592140 /nfs/dbraw/zinc/59/21/40/566592140.db2.gz QTIFCYPDCDFPHK-HNNXBMFYSA-N -1 3 386.901 3.433 20 0 GGADHM CCOc1ccc(C[N-]S(=O)(=O)c2csc(C(=O)OC)c2)cc1Cl ZINC000560058691 566592505 /nfs/dbraw/zinc/59/25/05/566592505.db2.gz UOQNBMVFMALIIA-UHFFFAOYSA-N -1 3 389.882 3.065 20 0 GGADHM CCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1Cl ZINC000560060427 566592930 /nfs/dbraw/zinc/59/29/30/566592930.db2.gz OQOHPVLXQBQEBL-UHFFFAOYSA-N -1 3 389.882 3.065 20 0 GGADHM Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000486482075 566593146 /nfs/dbraw/zinc/59/31/46/566593146.db2.gz WQLQHPIMTRMQJW-UHFFFAOYSA-N -1 3 393.412 3.403 20 0 GGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000539639320 566593195 /nfs/dbraw/zinc/59/31/95/566593195.db2.gz VJYWNINDGPWPQN-QWHCGFSZSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000539638956 566593532 /nfs/dbraw/zinc/59/35/32/566593532.db2.gz PTZBRUDNUXTAIQ-WDEREUQCSA-N -1 3 382.345 3.383 20 0 GGADHM O=S(=O)([N-]CC1CCN(c2ccncc2)CC1)c1cc(Cl)ccc1F ZINC000560065185 566593624 /nfs/dbraw/zinc/59/36/24/566593624.db2.gz YXPQFHXOCIKBIV-UHFFFAOYSA-N -1 3 383.876 3.069 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2CC(C)(C)CC(C)(C)C2)s1 ZINC000539639506 566593804 /nfs/dbraw/zinc/59/38/04/566593804.db2.gz CSUJIDUKXBRKCQ-UHFFFAOYSA-N -1 3 386.583 3.310 20 0 GGADHM COc1ccc([C@H](CN(C)C)[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000560069554 566594848 /nfs/dbraw/zinc/59/48/48/566594848.db2.gz KVMVAOOVFXSNHX-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cscc2Br)c1 ZINC000513325680 566595380 /nfs/dbraw/zinc/59/53/80/566595380.db2.gz STNQJVSIVDDODQ-UHFFFAOYSA-N -1 3 389.296 3.443 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)ccc1Br ZINC000513319188 566595943 /nfs/dbraw/zinc/59/59/43/566595943.db2.gz MUPXMRNGCQGQJM-UHFFFAOYSA-N -1 3 393.266 3.343 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)c1 ZINC000486540756 566596376 /nfs/dbraw/zinc/59/63/76/566596376.db2.gz PNNNZWGVXHECOF-UHFFFAOYSA-N -1 3 384.841 3.116 20 0 GGADHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1 ZINC000466740211 566596520 /nfs/dbraw/zinc/59/65/20/566596520.db2.gz XVBQWGPQRXJCMQ-CQSZACIVSA-N -1 3 388.316 3.492 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)cc3cccnc32)cs1 ZINC000674492310 566596944 /nfs/dbraw/zinc/59/69/44/566596944.db2.gz WEDAKYVZAPWIIE-LBPRGKRZSA-N -1 3 377.491 3.186 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)s1 ZINC000605164274 566598137 /nfs/dbraw/zinc/59/81/37/566598137.db2.gz UKICAXKNNHSMNC-ZWNOBZJWSA-N -1 3 382.532 3.071 20 0 GGADHM Cc1cccc(CN(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)n1 ZINC000579306175 566598172 /nfs/dbraw/zinc/59/81/72/566598172.db2.gz OZLUOZORBAIAAX-UHFFFAOYSA-N -1 3 386.249 3.266 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1cccc(Cl)c1Cl ZINC000605164499 566598764 /nfs/dbraw/zinc/59/87/64/566598764.db2.gz MOSVQUBDACNEKN-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CSc4ccccc43)cc2N1 ZINC000605163963 566598781 /nfs/dbraw/zinc/59/87/81/566598781.db2.gz BCACQYWVITYUBU-CQSZACIVSA-N -1 3 394.905 3.350 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccc(Cl)cc1 ZINC000579331463 566599361 /nfs/dbraw/zinc/59/93/61/566599361.db2.gz GAPARFBVFOSWCT-HNNXBMFYSA-N -1 3 383.901 3.037 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccc(Cl)cc1 ZINC000579331465 566599891 /nfs/dbraw/zinc/59/98/91/566599891.db2.gz GAPARFBVFOSWCT-OAHLLOKOSA-N -1 3 383.901 3.037 20 0 GGADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486575345 566600883 /nfs/dbraw/zinc/60/08/83/566600883.db2.gz NSIGCRFDTFFKCI-QZTJIDSGSA-N -1 3 381.881 3.366 20 0 GGADHM CC(C)CCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000539768942 566600881 /nfs/dbraw/zinc/60/08/81/566600881.db2.gz ZKGGLKVJUGAIQG-CQSZACIVSA-N -1 3 379.309 3.064 20 0 GGADHM CCOc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000560125179 566601196 /nfs/dbraw/zinc/60/11/96/566601196.db2.gz BMNQKQXYURAQHO-UHFFFAOYSA-N -1 3 382.869 3.040 20 0 GGADHM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cc2)n1 ZINC000605290953 566601354 /nfs/dbraw/zinc/60/13/54/566601354.db2.gz DIBZRWCHPMOCGY-HNNXBMFYSA-N -1 3 379.507 3.165 20 0 GGADHM CC(C)CCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000539768941 566601546 /nfs/dbraw/zinc/60/15/46/566601546.db2.gz ZKGGLKVJUGAIQG-AWEZNQCLSA-N -1 3 379.309 3.064 20 0 GGADHM CC[C@](C)(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)OC ZINC000579348862 566601819 /nfs/dbraw/zinc/60/18/19/566601819.db2.gz LUSZZPGZWROFFW-CYBMUJFWSA-N -1 3 384.723 3.337 20 0 GGADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000605291693 566601816 /nfs/dbraw/zinc/60/18/16/566601816.db2.gz OWKZBJPRMQDJPD-CYBMUJFWSA-N -1 3 385.379 3.024 20 0 GGADHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000486590306 566602311 /nfs/dbraw/zinc/60/23/11/566602311.db2.gz CLYJJCZNAOESGF-UHFFFAOYSA-N -1 3 391.237 3.163 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)s1 ZINC000486592299 566602412 /nfs/dbraw/zinc/60/24/12/566602412.db2.gz HKMTZBAZJHEUTQ-ZDUSSCGKSA-N -1 3 375.519 3.385 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-][C@H]1CCO[C@@H]1C1CC1 ZINC000539804662 566602706 /nfs/dbraw/zinc/60/27/06/566602706.db2.gz JODLFFVYKVXRTQ-UONOGXRCSA-N -1 3 394.718 3.089 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-][C@@H]1CCO[C@H]1C1CC1 ZINC000539804661 566602784 /nfs/dbraw/zinc/60/27/84/566602784.db2.gz JODLFFVYKVXRTQ-KGLIPLIRSA-N -1 3 394.718 3.089 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1c(C)nn(CC)c1C)c1nc(C(F)(F)F)cs1 ZINC000466854322 566603091 /nfs/dbraw/zinc/60/30/91/566603091.db2.gz IAWZDEBGKVWGQT-JTQLQIEISA-N -1 3 396.460 3.425 20 0 GGADHM COc1ccc(CN[C@H](CO)Cc2cccc(C)c2)c(Br)c1[O-] ZINC000466887090 566604123 /nfs/dbraw/zinc/60/41/23/566604123.db2.gz ISIAAOACRZLMOY-HNNXBMFYSA-N -1 3 380.282 3.165 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c(F)c1 ZINC000579382749 566604229 /nfs/dbraw/zinc/60/42/29/566604229.db2.gz PWLOZXBJYCVLHS-QFIPXVFZSA-N -1 3 375.874 3.467 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@](C)(OC)C2(C)C)cc1Cl ZINC000466883208 566604649 /nfs/dbraw/zinc/60/46/49/566604649.db2.gz OMPITJXMNRGQTI-DZGCQCFKSA-N -1 3 382.309 3.484 20 0 GGADHM CCNC(=O)C1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCC1 ZINC000486619067 566604881 /nfs/dbraw/zinc/60/48/81/566604881.db2.gz GPRGFDWXVRCUQA-UHFFFAOYSA-N -1 3 380.897 3.078 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)CC3 ZINC000486628896 566605260 /nfs/dbraw/zinc/60/52/60/566605260.db2.gz MKAYWFSOJOLYGM-ZDUSSCGKSA-N -1 3 375.881 3.361 20 0 GGADHM CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000486644964 566607739 /nfs/dbraw/zinc/60/77/39/566607739.db2.gz JQHLIVAYHBCXEB-LSDHHAIUSA-N -1 3 385.302 3.500 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CCCc3cccs3)cc2N1 ZINC000539858610 566608159 /nfs/dbraw/zinc/60/81/59/566608159.db2.gz BGVOQZHHTJXVJX-UHFFFAOYSA-N -1 3 384.910 3.197 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]CCCc2cccs2)c1 ZINC000539858594 566608529 /nfs/dbraw/zinc/60/85/29/566608529.db2.gz ATBCHLCARRNMTD-UHFFFAOYSA-N -1 3 390.324 3.430 20 0 GGADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 ZINC000486652376 566609638 /nfs/dbraw/zinc/60/96/38/566609638.db2.gz PPVFVHHUEOLDGU-ZJUUUORDSA-N -1 3 376.404 3.377 20 0 GGADHM Cc1cncc([C@@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000579455885 566611142 /nfs/dbraw/zinc/61/11/42/566611142.db2.gz LXYPDUYPBQMUPM-GFCCVEGCSA-N -1 3 388.320 3.326 20 0 GGADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)CCCC1 ZINC000560278355 566614036 /nfs/dbraw/zinc/61/40/36/566614036.db2.gz QHCRHEPQECCHLW-CYBMUJFWSA-N -1 3 381.485 3.386 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496444 566614784 /nfs/dbraw/zinc/61/47/84/566614784.db2.gz VWWYLGAGHUGOHJ-JSGCOSHPSA-N -1 3 376.280 3.310 20 0 GGADHM COc1cc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)ccn1 ZINC000652506385 566614875 /nfs/dbraw/zinc/61/48/75/566614875.db2.gz JFWJFSHWPJBPNJ-JKSUJKDBSA-N -1 3 391.265 3.153 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496443 566614965 /nfs/dbraw/zinc/61/49/65/566614965.db2.gz VWWYLGAGHUGOHJ-GXTWGEPZSA-N -1 3 376.280 3.310 20 0 GGADHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)s1 ZINC000425202682 566615913 /nfs/dbraw/zinc/61/59/13/566615913.db2.gz KXNGBGGRBIPMBH-GFCCVEGCSA-N -1 3 382.507 3.168 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCOC2)C1)c1c(Cl)ccc2ccccc21 ZINC000539950862 566616948 /nfs/dbraw/zinc/61/69/48/566616948.db2.gz QHUCZCHUGVEYAD-KSSFIOAISA-N -1 3 381.881 3.110 20 0 GGADHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000425211655 566617533 /nfs/dbraw/zinc/61/75/33/566617533.db2.gz YKEGSQILXBYHPD-VIFPVBQESA-N -1 3 388.536 3.328 20 0 GGADHM C[C@H]1CN(C)C[C@@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000486738214 566617939 /nfs/dbraw/zinc/61/79/39/566617939.db2.gz QNITUBVUCQCUFS-CABZTGNLSA-N -1 3 397.704 3.051 20 0 GGADHM CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1cc(C)ccc1C ZINC000629109066 566617948 /nfs/dbraw/zinc/61/79/48/566617948.db2.gz BECBHUAOAOJCHT-HOCLYGCPSA-N -1 3 380.535 3.299 20 0 GGADHM C[C@@H](Oc1cccc(Br)c1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000539963139 566618706 /nfs/dbraw/zinc/61/87/06/566618706.db2.gz JLSMNRIHPBWNJX-GFCCVEGCSA-N -1 3 387.237 3.436 20 0 GGADHM C[C@H]1OCC[C@@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000539974948 566618771 /nfs/dbraw/zinc/61/87/71/566618771.db2.gz XIFKYGMCBVEIAO-SCZZXKLOSA-N -1 3 384.661 3.278 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(-c2cc[nH]n2)s1 ZINC000513752886 566620393 /nfs/dbraw/zinc/62/03/93/566620393.db2.gz ZIHQZZATYQPMMD-UHFFFAOYSA-N -1 3 388.250 3.223 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CCCc2c(O)cccc21 ZINC000513733262 566621098 /nfs/dbraw/zinc/62/10/98/566621098.db2.gz OETBRNIPZNZMNX-HNNXBMFYSA-N -1 3 386.249 3.283 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c1Cl ZINC000675026888 566621382 /nfs/dbraw/zinc/62/13/82/566621382.db2.gz SJFQTRYIXSARTL-LBPRGKRZSA-N -1 3 382.309 3.084 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ncsc1C(F)(F)F ZINC000513751271 566621518 /nfs/dbraw/zinc/62/15/18/566621518.db2.gz AGTUELHWVSRQGS-UHFFFAOYSA-N -1 3 391.172 3.246 20 0 GGADHM CS(=O)(=O)Cc1nc(=O)c2c(-c3ccc(Br)cc3)csc2[n-]1 ZINC000513778478 566621970 /nfs/dbraw/zinc/62/19/70/566621970.db2.gz NZAVENNKJONYLK-UHFFFAOYSA-N -1 3 399.291 3.371 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1sc2ccccc2c1Br ZINC000486778662 566621936 /nfs/dbraw/zinc/62/19/36/566621936.db2.gz NBUPXKBFGXXYGJ-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@H](C)CSc1ccccc1 ZINC000652624884 566622640 /nfs/dbraw/zinc/62/26/40/566622640.db2.gz PEOJDUYFURQLKK-ZIAGYGMSSA-N -1 3 398.575 3.054 20 0 GGADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCc1cc(Cl)sc1Cl ZINC000540006319 566622927 /nfs/dbraw/zinc/62/29/27/566622927.db2.gz IAQVXPANKHBBFI-UHFFFAOYSA-N -1 3 398.271 3.177 20 0 GGADHM COCc1nn(C)cc1C(=O)[N-]c1nc(-c2ccc(SC)cc2)ns1 ZINC000449985089 566622987 /nfs/dbraw/zinc/62/29/87/566622987.db2.gz AZPVCQKDZZCSSW-UHFFFAOYSA-N -1 3 375.479 3.059 20 0 GGADHM Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3C)c(=O)[n-]2)c(Cl)c1 ZINC000629216624 566624117 /nfs/dbraw/zinc/62/41/17/566624117.db2.gz HPZNMNSLCGHDSQ-VIFPVBQESA-N -1 3 377.857 3.150 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(Br)c2)c1 ZINC000513793483 566624049 /nfs/dbraw/zinc/62/40/49/566624049.db2.gz YYTWCYRGFVKCII-LBPRGKRZSA-N -1 3 386.315 3.136 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000513791295 566624812 /nfs/dbraw/zinc/62/48/12/566624812.db2.gz MJJUJQJERNCRPB-GFCCVEGCSA-N -1 3 375.416 3.392 20 0 GGADHM COc1ccc([O-])c(C(=O)N2CCN(c3cccc(Br)c3)CC2)c1 ZINC000486821437 566625702 /nfs/dbraw/zinc/62/57/02/566625702.db2.gz RZJGYCWPNXSDHB-UHFFFAOYSA-N -1 3 391.265 3.126 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]CC2(c3ccccc3Br)CC2)c1 ZINC000513798156 566626410 /nfs/dbraw/zinc/62/64/10/566626410.db2.gz VNUOCSNIOLDVPQ-UHFFFAOYSA-N -1 3 398.326 3.237 20 0 GGADHM CC[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H](CC)CO1 ZINC000652765149 566626765 /nfs/dbraw/zinc/62/67/65/566626765.db2.gz WUDKRRUUBRXVNG-STQMWFEESA-N -1 3 393.281 3.320 20 0 GGADHM Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000486833224 566627090 /nfs/dbraw/zinc/62/70/90/566627090.db2.gz AWMIBWVTTWNPSH-UHFFFAOYSA-N -1 3 378.397 3.149 20 0 GGADHM NC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000467115729 566627579 /nfs/dbraw/zinc/62/75/79/566627579.db2.gz IMVPXYOJACEDNJ-ZBFHGGJFSA-N -1 3 380.897 3.206 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1cccc(Cl)c1F ZINC000486840522 566628442 /nfs/dbraw/zinc/62/84/42/566628442.db2.gz BQVCMWDOESVPGU-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)sc1Br ZINC000513835450 566628501 /nfs/dbraw/zinc/62/85/01/566628501.db2.gz NRIRSNZRQJJRHA-LLVKDONJSA-N -1 3 384.361 3.140 20 0 GGADHM CCCN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000606410325 566628590 /nfs/dbraw/zinc/62/85/90/566628590.db2.gz FNRBCDOTZXMTHJ-IINYFYTJSA-N -1 3 386.279 3.281 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)cc1Cl ZINC000513837950 566628787 /nfs/dbraw/zinc/62/87/87/566628787.db2.gz IXYZGVMYSIOBIZ-CQSZACIVSA-N -1 3 384.325 3.323 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)cc1Cl ZINC000513837949 566629170 /nfs/dbraw/zinc/62/91/70/566629170.db2.gz IXYZGVMYSIOBIZ-AWEZNQCLSA-N -1 3 384.325 3.323 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CCCSC1 ZINC000579663349 566629312 /nfs/dbraw/zinc/62/93/12/566629312.db2.gz LCFMGSFWLISIKU-SECBINFHSA-N -1 3 392.905 3.002 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000513841894 566629337 /nfs/dbraw/zinc/62/93/37/566629337.db2.gz XTUDMRSWIWDICK-ZDUSSCGKSA-N -1 3 398.750 3.424 20 0 GGADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1ccc(F)cc1Cl ZINC000486851991 566630015 /nfs/dbraw/zinc/63/00/15/566630015.db2.gz XALUKSHPPTXTLK-UHFFFAOYSA-N -1 3 385.779 3.147 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)c1 ZINC000486854509 566630069 /nfs/dbraw/zinc/63/00/69/566630069.db2.gz CVTYMLUSSSKTLK-UHFFFAOYSA-N -1 3 380.470 3.205 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2cc1Br ZINC000579696255 566630174 /nfs/dbraw/zinc/63/01/74/566630174.db2.gz IDSRXEDYJDCPBC-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2cc1Br ZINC000579696255 566630178 /nfs/dbraw/zinc/63/01/78/566630178.db2.gz IDSRXEDYJDCPBC-UHFFFAOYSA-N -1 3 395.220 3.430 20 0 GGADHM Cc1cc(C(=O)NCCOc2ccc(I)cc2)ccc1[O-] ZINC000513858436 566630529 /nfs/dbraw/zinc/63/05/29/566630529.db2.gz ZRMLIAIVMFRAKA-UHFFFAOYSA-N -1 3 397.212 3.114 20 0 GGADHM O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1csc(=O)[n-]1 ZINC000579686591 566630514 /nfs/dbraw/zinc/63/05/14/566630514.db2.gz FSZFIWVDBHDNNU-UHFFFAOYSA-N -1 3 396.310 3.006 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)c1 ZINC000513849658 566631079 /nfs/dbraw/zinc/63/10/79/566631079.db2.gz CVKVJRADNLWPIF-UHFFFAOYSA-N -1 3 382.433 3.153 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)s1 ZINC000606462889 566632835 /nfs/dbraw/zinc/63/28/35/566632835.db2.gz VQXPEDXUCWVUDL-ZYHUDNBSSA-N -1 3 386.564 3.225 20 0 GGADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000675252439 566634238 /nfs/dbraw/zinc/63/42/38/566634238.db2.gz WCQODWVKWKLNDZ-SECBINFHSA-N -1 3 378.263 3.495 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3c(Cl)cccc3Cl)CC2)on1 ZINC000467214388 566634988 /nfs/dbraw/zinc/63/49/88/566634988.db2.gz FBYJCNAQPQHGML-GFCCVEGCSA-N -1 3 383.279 3.439 20 0 GGADHM CC(=O)c1cccc(NC(=O)c2ccc(I)cc2)c1[O-] ZINC000560550767 566635859 /nfs/dbraw/zinc/63/58/59/566635859.db2.gz NNMIBOAMFRVJAI-UHFFFAOYSA-N -1 3 381.169 3.452 20 0 GGADHM CCOC1(CS(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)CCOCC1 ZINC000629289047 566635857 /nfs/dbraw/zinc/63/58/57/566635857.db2.gz WWUPIPAPRFRJRM-UHFFFAOYSA-N -1 3 398.308 3.329 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ccc(F)c(F)c1 ZINC000540214192 566636325 /nfs/dbraw/zinc/63/63/25/566636325.db2.gz YYISQAKDHOQBMO-OAHLLOKOSA-N -1 3 384.429 3.241 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C1CCOCC1 ZINC000467794458 566668201 /nfs/dbraw/zinc/66/82/01/566668201.db2.gz HZCJUMPWQKYBGI-LBPRGKRZSA-N -1 3 382.345 3.303 20 0 GGADHM CN(C(=O)c1cccc(C(=O)N=c2[nH][n-]cc2Br)c1)c1ccccc1 ZINC000560552864 566636768 /nfs/dbraw/zinc/63/67/68/566636768.db2.gz WLAXHTQOHVYYFJ-UHFFFAOYSA-N -1 3 399.248 3.123 20 0 GGADHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000540212981 566636823 /nfs/dbraw/zinc/63/68/23/566636823.db2.gz GEXKVINQEZPELI-MRVPVSSYSA-N -1 3 390.328 3.211 20 0 GGADHM CCOC1(CS(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)CCOCC1 ZINC000629291534 566637191 /nfs/dbraw/zinc/63/71/91/566637191.db2.gz SZJGXIIXIMLVKP-UHFFFAOYSA-N -1 3 391.917 3.455 20 0 GGADHM CCOC1(CS(=O)(=O)[N-]c2cc(C)cc(Br)c2)CCOCC1 ZINC000629294192 566637461 /nfs/dbraw/zinc/63/74/61/566637461.db2.gz BCVKBLGFKDIABR-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cncc(Cl)c1 ZINC000540217898 566638004 /nfs/dbraw/zinc/63/80/04/566638004.db2.gz ZAMCCVBJWKVZMV-LSDHHAIUSA-N -1 3 391.251 3.336 20 0 GGADHM Cc1ncc(CNC(=O)Nc2cccc3cc(Br)cnc32)c(=O)[n-]1 ZINC000486943201 566638327 /nfs/dbraw/zinc/63/83/27/566638327.db2.gz CZVKYERESUVYKO-UHFFFAOYSA-N -1 3 388.225 3.123 20 0 GGADHM CCOC(=O)c1c([N-]C(=O)c2conc2COC)sc2c1CCSC2 ZINC000425396145 566638430 /nfs/dbraw/zinc/63/84/30/566638430.db2.gz ANACHLXHPXQPCS-UHFFFAOYSA-N -1 3 382.463 3.101 20 0 GGADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2Br)c[nH]1 ZINC000675335920 566638968 /nfs/dbraw/zinc/63/89/68/566638968.db2.gz MDTMGMMWNFBWSQ-LLVKDONJSA-N -1 3 386.315 3.205 20 0 GGADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000675329456 566638995 /nfs/dbraw/zinc/63/89/95/566638995.db2.gz MCRBHKRULRFWNB-VHSXEESVSA-N -1 3 382.707 3.196 20 0 GGADHM CCOC1(CS(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)CCOCC1 ZINC000629295643 566639328 /nfs/dbraw/zinc/63/93/28/566639328.db2.gz NIVGFKNTQFPUNB-UHFFFAOYSA-N -1 3 381.416 3.341 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCN(c2ccccc2)C1 ZINC000450152032 566639908 /nfs/dbraw/zinc/63/99/08/566639908.db2.gz KEGJNUBUUCYLHH-AWEZNQCLSA-N -1 3 375.266 3.297 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000675329457 566639937 /nfs/dbraw/zinc/63/99/37/566639937.db2.gz MCRBHKRULRFWNB-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CC[C@@H]2CCCO2)c(F)cc1F ZINC000560595519 566642029 /nfs/dbraw/zinc/64/20/29/566642029.db2.gz LJADBWMKMWUXMG-NSHDSACASA-N -1 3 376.425 3.014 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)c1 ZINC000487007163 566642060 /nfs/dbraw/zinc/64/20/60/566642060.db2.gz GLJNJVMNVBVGOB-UHFFFAOYSA-N -1 3 384.914 3.281 20 0 GGADHM CC(C)CO[C@@H](C)c1noc(CS(=O)(=O)Cc2cc([O-])ccc2Cl)n1 ZINC000629321848 566642449 /nfs/dbraw/zinc/64/24/49/566642449.db2.gz XLOXEMZLYAFNEW-NSHDSACASA-N -1 3 388.873 3.277 20 0 GGADHM O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccccc1[O-] ZINC000514098463 566643177 /nfs/dbraw/zinc/64/31/77/566643177.db2.gz DQRMQBIRDXGOMR-UHFFFAOYSA-N -1 3 379.239 3.157 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487015327 566643259 /nfs/dbraw/zinc/64/32/59/566643259.db2.gz WNFJXMFMJPCELN-CXAGYDPISA-N -1 3 385.917 3.247 20 0 GGADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cn2cc(C)nc2s1 ZINC000487014378 566643406 /nfs/dbraw/zinc/64/34/06/566643406.db2.gz FAKRJIADEKKZDW-UHFFFAOYSA-N -1 3 376.463 3.007 20 0 GGADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487015330 566643528 /nfs/dbraw/zinc/64/35/28/566643528.db2.gz WNFJXMFMJPCELN-SUMWQHHRSA-N -1 3 385.917 3.247 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487015329 566643586 /nfs/dbraw/zinc/64/35/86/566643586.db2.gz WNFJXMFMJPCELN-GUYCJALGSA-N -1 3 385.917 3.247 20 0 GGADHM CN(CCN1CCCCC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000652992591 566644140 /nfs/dbraw/zinc/64/41/40/566644140.db2.gz VTQIKGJXMIEPFD-UHFFFAOYSA-N -1 3 392.297 3.261 20 0 GGADHM COc1ccc([C@H](CO)CN=c2ncc3scc(Br)c3[n-]2)cc1 ZINC000579853444 566644932 /nfs/dbraw/zinc/64/49/32/566644932.db2.gz PMVVSMQMBDKQEE-NSHDSACASA-N -1 3 394.294 3.072 20 0 GGADHM CC(C)Oc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)ccc1Br ZINC000653026371 566646160 /nfs/dbraw/zinc/64/61/60/566646160.db2.gz HOFTVCYCOZJUII-CQSZACIVSA-N -1 3 394.269 3.485 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000606827511 566646612 /nfs/dbraw/zinc/64/66/12/566646612.db2.gz PONNJUQQKQNMEP-CQSZACIVSA-N -1 3 376.906 3.286 20 0 GGADHM CN(CCN1CCCCC1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000653042504 566647165 /nfs/dbraw/zinc/64/71/65/566647165.db2.gz QSCPCNIYYLPWHS-UHFFFAOYSA-N -1 3 375.694 3.366 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000487089478 566647537 /nfs/dbraw/zinc/64/75/37/566647537.db2.gz VVECEGYFTNIGAN-UHFFFAOYSA-N -1 3 393.843 3.272 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 ZINC000579890131 566648155 /nfs/dbraw/zinc/64/81/55/566648155.db2.gz DMPKMZCNCZLGCB-UHFFFAOYSA-N -1 3 377.853 3.473 20 0 GGADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000579889144 566648218 /nfs/dbraw/zinc/64/82/18/566648218.db2.gz HIUHPFSYHFXMPB-SFYZADRCSA-N -1 3 390.221 3.170 20 0 GGADHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000487118582 566648723 /nfs/dbraw/zinc/64/87/23/566648723.db2.gz BFSDFSVSYFSNMM-XHDPSFHLSA-N -1 3 394.306 3.318 20 0 GGADHM O=S(=O)([N-]C[C@H]1SCCc2ccccc21)c1ccc(Br)cn1 ZINC000487105926 566648742 /nfs/dbraw/zinc/64/87/42/566648742.db2.gz GUOCPJKRINBSPP-CQSZACIVSA-N -1 3 399.335 3.153 20 0 GGADHM Cc1nn(C)c(N2CCC2)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000629353203 566649781 /nfs/dbraw/zinc/64/97/81/566649781.db2.gz NYUVCINRCSPZRL-UHFFFAOYSA-N -1 3 389.308 3.187 20 0 GGADHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000467502341 566650621 /nfs/dbraw/zinc/65/06/21/566650621.db2.gz CFWAYADHCRVUMO-ZANVPECISA-N -1 3 382.835 3.120 20 0 GGADHM CC(C)C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000467500752 566650683 /nfs/dbraw/zinc/65/06/83/566650683.db2.gz GAYYNVOUXKITOE-LBPRGKRZSA-N -1 3 378.947 3.107 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCN1c1ccc(Cl)cc1 ZINC000606908319 566650829 /nfs/dbraw/zinc/65/08/29/566650829.db2.gz NMPQPCJFRJUGHZ-INIZCTEOSA-N -1 3 399.299 3.218 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)c(Cl)c1Cl ZINC000487139120 566651322 /nfs/dbraw/zinc/65/13/22/566651322.db2.gz UVMKNTIIMBLQSF-JTQLQIEISA-N -1 3 375.277 3.307 20 0 GGADHM Cn1c(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)nc2ccc(F)cc21 ZINC000487143392 566652000 /nfs/dbraw/zinc/65/20/00/566652000.db2.gz WIZJXKLDWYAECL-UHFFFAOYSA-N -1 3 385.823 3.026 20 0 GGADHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000487145016 566652149 /nfs/dbraw/zinc/65/21/49/566652149.db2.gz FDRWNKCROMEPKW-MFKMUULPSA-N -1 3 382.345 3.240 20 0 GGADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000579942362 566652452 /nfs/dbraw/zinc/65/24/52/566652452.db2.gz LDOIMLURYVFJJG-GFCCVEGCSA-N -1 3 383.844 3.161 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)cc1Cl ZINC000487154818 566652885 /nfs/dbraw/zinc/65/28/85/566652885.db2.gz PWFMWOLHXDZUQS-JTQLQIEISA-N -1 3 375.277 3.307 20 0 GGADHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000540483483 566653393 /nfs/dbraw/zinc/65/33/93/566653393.db2.gz KJIAYIMRJPOLMF-JDNHERCYSA-N -1 3 377.359 3.298 20 0 GGADHM C[C@H]1CC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000560738056 566653539 /nfs/dbraw/zinc/65/35/39/566653539.db2.gz NANXPOSUFOSBMN-NWDGAFQWSA-N -1 3 393.336 3.214 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3([C@@H](O)C(C)C)CC3)s2)cs1 ZINC000540483753 566653522 /nfs/dbraw/zinc/65/35/22/566653522.db2.gz UAZPMHWUWHSHCK-HNNXBMFYSA-N -1 3 386.564 3.255 20 0 GGADHM C[C@@H]1CC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000560738059 566653960 /nfs/dbraw/zinc/65/39/60/566653960.db2.gz NANXPOSUFOSBMN-VXGBXAGGSA-N -1 3 393.336 3.214 20 0 GGADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNCc2nccs2)cc1 ZINC000675553474 566654038 /nfs/dbraw/zinc/65/40/38/566654038.db2.gz JKOCENXUOVHSSD-UHFFFAOYSA-N -1 3 377.466 3.373 20 0 GGADHM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000540500863 566654660 /nfs/dbraw/zinc/65/46/60/566654660.db2.gz AOMVJXBNMRYICM-UHFFFAOYSA-N -1 3 376.203 3.103 20 0 GGADHM O=C([O-])CN(Cc1ccc(Cl)cc1)C[C@H](O)COc1ccccc1Cl ZINC000579967436 566656031 /nfs/dbraw/zinc/65/60/31/566656031.db2.gz JSIYVUNPWUXXRK-HNNXBMFYSA-N -1 3 384.259 3.320 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1Cl ZINC000675635419 566656246 /nfs/dbraw/zinc/65/62/46/566656246.db2.gz HQYBDXKBPATEDD-CQSZACIVSA-N -1 3 379.787 3.423 20 0 GGADHM CN(CCCN(C)C(=O)c1cc(Br)ccc1[O-])Cc1ccncc1 ZINC000514622471 566656283 /nfs/dbraw/zinc/65/62/83/566656283.db2.gz ZKYCRLNQNCKCHK-UHFFFAOYSA-N -1 3 392.297 3.144 20 0 GGADHM CCc1cc(C(=O)NCC(=O)Nc2cccc(Br)c2)ccc1[O-] ZINC000487217880 566657196 /nfs/dbraw/zinc/65/71/96/566657196.db2.gz TYJFVPLHQBXOKN-UHFFFAOYSA-N -1 3 377.238 3.086 20 0 GGADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2occc2s1 ZINC000607097259 566657302 /nfs/dbraw/zinc/65/73/02/566657302.db2.gz FUCSFEAHJMCKOY-UHFFFAOYSA-N -1 3 380.422 3.326 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000540563247 566659110 /nfs/dbraw/zinc/65/91/10/566659110.db2.gz HWLCNTOMKOLXKL-ZETCQYMHSA-N -1 3 385.645 3.041 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000540563247 566659112 /nfs/dbraw/zinc/65/91/12/566659112.db2.gz HWLCNTOMKOLXKL-ZETCQYMHSA-N -1 3 385.645 3.041 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000540563246 566659701 /nfs/dbraw/zinc/65/97/01/566659701.db2.gz HWLCNTOMKOLXKL-SSDOTTSWSA-N -1 3 385.645 3.041 20 0 GGADHM CC(=O)C[C@@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000540563246 566659703 /nfs/dbraw/zinc/65/97/03/566659703.db2.gz HWLCNTOMKOLXKL-SSDOTTSWSA-N -1 3 385.645 3.041 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2ccc(C(C)C)cc2)s1 ZINC000514656609 566660409 /nfs/dbraw/zinc/66/04/09/566660409.db2.gz XFHLDBSHJVENDU-UHFFFAOYSA-N -1 3 380.535 3.029 20 0 GGADHM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cccc2nn[n-]c21 ZINC000514685551 566661889 /nfs/dbraw/zinc/66/18/89/566661889.db2.gz VUSIZGFDOHBCJB-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cccc2[n-]nnc21 ZINC000514685551 566661893 /nfs/dbraw/zinc/66/18/93/566661893.db2.gz VUSIZGFDOHBCJB-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cccc2n[n-]nc21 ZINC000514685551 566661900 /nfs/dbraw/zinc/66/19/00/566661900.db2.gz VUSIZGFDOHBCJB-UHFFFAOYSA-N -1 3 397.236 3.373 20 0 GGADHM COc1c(Br)cc(Br)cc1CNC(C)(C)C(=O)[O-] ZINC000580055476 566662001 /nfs/dbraw/zinc/66/20/01/566662001.db2.gz UEKKOBAECDBIMK-UHFFFAOYSA-N -1 3 381.064 3.173 20 0 GGADHM O=C([O-])CC[C@@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629488461 566662323 /nfs/dbraw/zinc/66/23/23/566662323.db2.gz NDMXOMGRTWKWFL-LRDDRELGSA-N -1 3 395.297 3.279 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000467760515 566662524 /nfs/dbraw/zinc/66/25/24/566662524.db2.gz YKAGYEVHUUMLEL-UHFFFAOYSA-N -1 3 395.428 3.081 20 0 GGADHM O=S(=O)(Cc1cc(Cl)ccc1Br)[N-][C@@H]1CCO[C@@H]1C1CC1 ZINC000580068980 566663655 /nfs/dbraw/zinc/66/36/55/566663655.db2.gz CMOGEUXVEDSNAG-ZIAGYGMSSA-N -1 3 394.718 3.089 20 0 GGADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1nc(C2CC2)cs1 ZINC000675760743 566663799 /nfs/dbraw/zinc/66/37/99/566663799.db2.gz FCBDBSJLJWYKPA-UHFFFAOYSA-N -1 3 375.475 3.295 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000467771433 566663999 /nfs/dbraw/zinc/66/39/99/566663999.db2.gz NUHKXFNDPFSNKL-UHFFFAOYSA-N -1 3 379.429 3.300 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000467769976 566664323 /nfs/dbraw/zinc/66/43/23/566664323.db2.gz JGIBICZHNPYABM-UHFFFAOYSA-N -1 3 381.322 3.471 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000487350944 566664890 /nfs/dbraw/zinc/66/48/90/566664890.db2.gz APNDYCSQDAQAKU-HNNXBMFYSA-N -1 3 385.869 3.023 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cscc2C)c1 ZINC000487348059 566665024 /nfs/dbraw/zinc/66/50/24/566665024.db2.gz WNIOXQBQPPBTME-UHFFFAOYSA-N -1 3 376.297 3.306 20 0 GGADHM COc1nc(C)cc(C)c1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000675815111 566665420 /nfs/dbraw/zinc/66/54/20/566665420.db2.gz NVLDKGOCKPRBFP-UHFFFAOYSA-N -1 3 394.269 3.175 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(Cl)cccc1OC ZINC000487361674 566666549 /nfs/dbraw/zinc/66/65/49/566666549.db2.gz YCTZMOJAXZWQBW-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM CCOC1CC(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000514747715 566666743 /nfs/dbraw/zinc/66/67/43/566666743.db2.gz XQEXZTMDAVLEEP-UHFFFAOYSA-N -1 3 385.379 3.208 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1ccc(Cl)cc1 ZINC000487364969 566667109 /nfs/dbraw/zinc/66/71/09/566667109.db2.gz KTPZOLMHUGTABS-AWEZNQCLSA-N -1 3 387.860 3.462 20 0 GGADHM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000487363536 566667316 /nfs/dbraw/zinc/66/73/16/566667316.db2.gz XGGBKAWBPVDJHE-UHFFFAOYSA-N -1 3 384.860 3.165 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cscc2C)cc1Cl ZINC000487368761 566667378 /nfs/dbraw/zinc/66/73/78/566667378.db2.gz ZSYLQARKLAYNPN-UHFFFAOYSA-N -1 3 376.862 3.286 20 0 GGADHM C[C@H](CNC(=O)Cc1cncc([O-])c1)Sc1ccc(Br)cc1 ZINC000514738064 566667429 /nfs/dbraw/zinc/66/74/29/566667429.db2.gz DJLCNRZKLAPSIL-LLVKDONJSA-N -1 3 381.295 3.389 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CC2CCCCC2)s1 ZINC000487372621 566667413 /nfs/dbraw/zinc/66/74/13/566667413.db2.gz UQYSRFAQVCUVGB-LLVKDONJSA-N -1 3 375.512 3.181 20 0 GGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000540738061 566668656 /nfs/dbraw/zinc/66/86/56/566668656.db2.gz YMNPUSATWLTMER-NWDGAFQWSA-N -1 3 394.306 3.460 20 0 GGADHM O=S(=O)([N-][C@@H](Cn1cccn1)c1ccccc1)c1cc(F)ccc1Cl ZINC000607362583 566669632 /nfs/dbraw/zinc/66/96/32/566669632.db2.gz AMCWXMKCRGIOKO-INIZCTEOSA-N -1 3 379.844 3.395 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)s1 ZINC000607363851 566669762 /nfs/dbraw/zinc/66/97/62/566669762.db2.gz VJIJDSYIODVIKH-UONOGXRCSA-N -1 3 380.535 3.336 20 0 GGADHM Cc1cc(C)c(NC(=O)c2cnc3c(cnn3C)c2[O-])cc1Br ZINC000487403793 566669914 /nfs/dbraw/zinc/66/99/14/566669914.db2.gz WQULXDVCHGSVJO-UHFFFAOYSA-N -1 3 375.226 3.306 20 0 GGADHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514795666 566670227 /nfs/dbraw/zinc/67/02/27/566670227.db2.gz ATUGKADABSBLTC-SNVBAGLBSA-N -1 3 376.254 3.183 20 0 GGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H](C(F)(F)F)O1 ZINC000676027630 566673226 /nfs/dbraw/zinc/67/32/26/566673226.db2.gz OXPHIXMAPHPHJV-QPUJVOFHSA-N -1 3 397.191 3.016 20 0 GGADHM Cc1nn(-c2ccccc2Br)cc1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000653504186 566673037 /nfs/dbraw/zinc/67/30/37/566673037.db2.gz KGFUYCJVXDEUDA-JSGCOSHPSA-N -1 3 376.254 3.062 20 0 GGADHM CO[C@@H](C[C@@H](NCc1ccc(Br)cc1Cl)C(=O)[O-])C1CC1 ZINC000653507627 566673248 /nfs/dbraw/zinc/67/32/48/566673248.db2.gz MQNLSKVDUBSKNV-KGLIPLIRSA-N -1 3 376.678 3.460 20 0 GGADHM CO[C@H](C[C@@H](NCc1cc(Br)ccc1Cl)C(=O)[O-])C1CC1 ZINC000653507932 566673760 /nfs/dbraw/zinc/67/37/60/566673760.db2.gz VMLJVIALDKRZFK-ZIAGYGMSSA-N -1 3 376.678 3.460 20 0 GGADHM CC1(C)CCc2nc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000561087708 566674476 /nfs/dbraw/zinc/67/44/76/566674476.db2.gz AZPRKTLOORPABS-UHFFFAOYSA-N -1 3 399.563 3.027 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1C ZINC000514883470 566677024 /nfs/dbraw/zinc/67/70/24/566677024.db2.gz CJJMSPMGVPOYRS-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(F)(F)F ZINC000425787219 566677223 /nfs/dbraw/zinc/67/72/23/566677223.db2.gz YVLYNSSKKUSIDD-ZCFIWIBFSA-N -1 3 392.683 3.287 20 0 GGADHM CCC1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000561120509 566678192 /nfs/dbraw/zinc/67/81/92/566678192.db2.gz CPWUVHOEIQSSHP-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(F)(F)F ZINC000540868170 566678700 /nfs/dbraw/zinc/67/87/00/566678700.db2.gz OLQXLGSJURNVBI-CYBMUJFWSA-N -1 3 376.400 3.174 20 0 GGADHM Cc1c(C(=O)N=c2cc3ccccn3[n-]2)cnn1-c1cccc(Br)c1 ZINC000561147904 566679448 /nfs/dbraw/zinc/67/94/48/566679448.db2.gz LNPLEQSFLLJRQM-UHFFFAOYSA-N -1 3 396.248 3.265 20 0 GGADHM CN(C)CCN(CC(=O)[O-])C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000676207282 566679792 /nfs/dbraw/zinc/67/97/92/566679792.db2.gz XLNDKDPMUFZBNH-UHFFFAOYSA-N -1 3 375.277 3.297 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)c1cc(I)ccc1Cl ZINC000561148099 566680029 /nfs/dbraw/zinc/68/00/29/566680029.db2.gz LIYUUUQFPNPRDK-UHFFFAOYSA-N -1 3 397.603 3.267 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000514926801 566680412 /nfs/dbraw/zinc/68/04/12/566680412.db2.gz IIDZEPDSHKTKTA-HUTHGQBESA-N -1 3 380.213 3.475 20 0 GGADHM COc1ccc(Br)cc1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000540919969 566681037 /nfs/dbraw/zinc/68/10/37/566681037.db2.gz FKVZJZSUYLJVHH-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1ccc(Br)cc1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000540919969 566681041 /nfs/dbraw/zinc/68/10/41/566681041.db2.gz FKVZJZSUYLJVHH-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM COc1ccc(Br)cc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000540919969 566681049 /nfs/dbraw/zinc/68/10/49/566681049.db2.gz FKVZJZSUYLJVHH-UHFFFAOYSA-N -1 3 377.198 3.397 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C2(SC)CCC2)c(F)cc1F ZINC000425916413 566681385 /nfs/dbraw/zinc/68/13/85/566681385.db2.gz BEQKIZWWVADHQD-UHFFFAOYSA-N -1 3 378.466 3.341 20 0 GGADHM CCN=c1[n-]c(C(=O)Nc2cccc(CSCCC(=O)OC)c2)cs1 ZINC000425919932 566682250 /nfs/dbraw/zinc/68/22/50/566682250.db2.gz AYVJXYOGIMYIFQ-UHFFFAOYSA-N -1 3 379.507 3.045 20 0 GGADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000540942093 566683147 /nfs/dbraw/zinc/68/31/47/566683147.db2.gz BSOBMHHBFGYGNV-UHFFFAOYSA-N -1 3 381.429 3.103 20 0 GGADHM CN(C)c1cc(Br)cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000580337296 566684355 /nfs/dbraw/zinc/68/43/55/566684355.db2.gz WFNFNAKMCOUEDU-UHFFFAOYSA-N -1 3 376.214 3.146 20 0 GGADHM CN(C)c1cc(Br)cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000580337296 566684365 /nfs/dbraw/zinc/68/43/65/566684365.db2.gz WFNFNAKMCOUEDU-UHFFFAOYSA-N -1 3 376.214 3.146 20 0 GGADHM CN(C)c1cc(Br)cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000580337296 566684372 /nfs/dbraw/zinc/68/43/72/566684372.db2.gz WFNFNAKMCOUEDU-UHFFFAOYSA-N -1 3 376.214 3.146 20 0 GGADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000425977597 566684574 /nfs/dbraw/zinc/68/45/74/566684574.db2.gz VUEMNWBMTXMHFK-UHFFFAOYSA-N -1 3 376.331 3.053 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](c3ccccc3)C3CC3)cnc2c1Cl ZINC000676321853 566684634 /nfs/dbraw/zinc/68/46/34/566684634.db2.gz OZUBFFKWLGIRTH-INIZCTEOSA-N -1 3 376.869 3.121 20 0 GGADHM Cc1sc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)nc1-c1ccccc1 ZINC000676309067 566684842 /nfs/dbraw/zinc/68/48/42/566684842.db2.gz ZXTYPMVFJYEEQV-CQSZACIVSA-N -1 3 381.523 3.021 20 0 GGADHM CCN=c1[n-]c(C(=O)N2CCc3cc(Br)cc(F)c3C2)cs1 ZINC000561221964 566685715 /nfs/dbraw/zinc/68/57/15/566685715.db2.gz VUGXUYBQUAZOBL-UHFFFAOYSA-N -1 3 384.274 3.097 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000515034462 566685902 /nfs/dbraw/zinc/68/59/02/566685902.db2.gz ZFXMGPWUICPCJC-UHFFFAOYSA-N -1 3 386.876 3.491 20 0 GGADHM CCc1cccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)c1CC ZINC000487636893 566685967 /nfs/dbraw/zinc/68/59/67/566685967.db2.gz DBWKMMDHLNQIRO-UHFFFAOYSA-N -1 3 381.523 3.103 20 0 GGADHM Cc1c(Br)cc(C(=O)Nc2nc3cccc(Cl)c3[n-]2)c(=O)n1C ZINC000561229337 566687546 /nfs/dbraw/zinc/68/75/46/566687546.db2.gz LPMRNROVGQAJNT-UHFFFAOYSA-N -1 3 395.644 3.238 20 0 GGADHM CCc1cc(C(=O)N(CCO)Cc2ccc(Br)s2)ccc1[O-] ZINC000487716975 566688476 /nfs/dbraw/zinc/68/84/76/566688476.db2.gz GIDNKKNLKSGUEL-UHFFFAOYSA-N -1 3 384.295 3.413 20 0 GGADHM CC(C)n1nccc1C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000487758021 566690202 /nfs/dbraw/zinc/69/02/02/566690202.db2.gz WPNNNDLKDJRUSV-UHFFFAOYSA-N -1 3 393.220 3.403 20 0 GGADHM COc1cc(C(=O)Nc2ccc(Br)cc2[O-])cc2c1OCCO2 ZINC000515078311 566691038 /nfs/dbraw/zinc/69/10/38/566691038.db2.gz OOSDVDMGOZVNCP-UHFFFAOYSA-N -1 3 380.194 3.187 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2nc(C)cs2)c(Cl)c1Cl ZINC000608019561 566691132 /nfs/dbraw/zinc/69/11/32/566691132.db2.gz JXOZTIOHWUAAMT-UHFFFAOYSA-N -1 3 381.306 3.288 20 0 GGADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)s1 ZINC000487802576 566691307 /nfs/dbraw/zinc/69/13/07/566691307.db2.gz GTPLNMZFNKJSMO-UHFFFAOYSA-N -1 3 378.212 3.342 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000608019599 566691159 /nfs/dbraw/zinc/69/11/59/566691159.db2.gz NVFJIMGYCZDVNQ-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)s1 ZINC000608025471 566692066 /nfs/dbraw/zinc/69/20/66/566692066.db2.gz MFNISWRMOSJGNQ-MRVPVSSYSA-N -1 3 379.301 3.463 20 0 GGADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1ccc(Br)cn1 ZINC000608025126 566692755 /nfs/dbraw/zinc/69/27/55/566692755.db2.gz KEWBHARCUJZSCY-UHFFFAOYSA-N -1 3 388.312 3.048 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)[C@H]2CCCO[C@@H]21 ZINC000676416095 566692852 /nfs/dbraw/zinc/69/28/52/566692852.db2.gz HMVIQBNGOSVOLO-HONMWMINSA-N -1 3 392.290 3.070 20 0 GGADHM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000450644421 566692879 /nfs/dbraw/zinc/69/28/79/566692879.db2.gz KRWYMKWQKYOZKL-NOZJJQNGSA-N -1 3 385.251 3.159 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@H]2CCCO[C@@H]21 ZINC000608033216 566693773 /nfs/dbraw/zinc/69/37/73/566693773.db2.gz SSASGQAARKPIOZ-HONMWMINSA-N -1 3 381.391 3.326 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(Cl)c1Cl ZINC000608033023 566693828 /nfs/dbraw/zinc/69/38/28/566693828.db2.gz NANVSNZNIMRUMW-DFKRKDTASA-N -1 3 394.320 3.484 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]2CCCO[C@@H]21 ZINC000608033215 566693934 /nfs/dbraw/zinc/69/39/34/566693934.db2.gz SSASGQAARKPIOZ-GDLCADMTSA-N -1 3 381.391 3.326 20 0 GGADHM CC(=O)c1ncc(C(=O)[N-]c2cccc(Cl)c2S(=O)(=O)C(C)C)s1 ZINC000653797690 566694878 /nfs/dbraw/zinc/69/48/78/566694878.db2.gz SLONEXGXHNSNBQ-UHFFFAOYSA-N -1 3 386.882 3.434 20 0 GGADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000580449119 566694989 /nfs/dbraw/zinc/69/49/89/566694989.db2.gz GRWRMWYPZSKJNJ-AWEZNQCLSA-N -1 3 380.275 3.422 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2cc([O-])cc(Br)c2)C2CC2)cn1 ZINC000629934496 566695305 /nfs/dbraw/zinc/69/53/05/566695305.db2.gz FVDHNOGOPHMSKV-INIZCTEOSA-N -1 3 377.238 3.439 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)s1 ZINC000608040493 566695504 /nfs/dbraw/zinc/69/55/04/566695504.db2.gz AGNVVDZBPHERSS-OLZOCXBDSA-N -1 3 398.575 3.404 20 0 GGADHM CCO[C@@H](C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1)C1CC1 ZINC000629959730 566696246 /nfs/dbraw/zinc/69/62/46/566696246.db2.gz WZSPRAVRVINYSX-GFCCVEGCSA-N -1 3 383.221 3.127 20 0 GGADHM CCO[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C ZINC000653821842 566696416 /nfs/dbraw/zinc/69/64/16/566696416.db2.gz QELPWRPRPAUNHL-GTNSWQLSSA-N -1 3 393.281 3.178 20 0 GGADHM O[C@H]1CCC[C@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)C1 ZINC000580482255 566696512 /nfs/dbraw/zinc/69/65/12/566696512.db2.gz LKBMBIABIWACOA-JQWIXIFHSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@H]1CCC[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)C1 ZINC000580482255 566696521 /nfs/dbraw/zinc/69/65/21/566696521.db2.gz LKBMBIABIWACOA-JQWIXIFHSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@H]1CCC[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000580482255 566696528 /nfs/dbraw/zinc/69/65/28/566696528.db2.gz LKBMBIABIWACOA-JQWIXIFHSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@@H]1CCC[C@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)C1 ZINC000580482254 566696629 /nfs/dbraw/zinc/69/66/29/566696629.db2.gz LKBMBIABIWACOA-CMPLNLGQSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@@H]1CCC[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)C1 ZINC000580482254 566696633 /nfs/dbraw/zinc/69/66/33/566696633.db2.gz LKBMBIABIWACOA-CMPLNLGQSA-N -1 3 390.241 3.303 20 0 GGADHM O[C@@H]1CCC[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000580482254 566696637 /nfs/dbraw/zinc/69/66/37/566696637.db2.gz LKBMBIABIWACOA-CMPLNLGQSA-N -1 3 390.241 3.303 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3sc(Br)cc3C2)c1 ZINC000676457158 566696727 /nfs/dbraw/zinc/69/67/27/566696727.db2.gz UXMOHCDWGICMJE-UHFFFAOYSA-N -1 3 395.278 3.373 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(OC)c1OC ZINC000515205468 566697280 /nfs/dbraw/zinc/69/72/80/566697280.db2.gz AYPIBZLTEFKZQH-UHFFFAOYSA-N -1 3 382.210 3.433 20 0 GGADHM Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(Br)cc3[O-])cc12 ZINC000515205968 566697366 /nfs/dbraw/zinc/69/73/66/566697366.db2.gz YHKNFILTCVVHCJ-UHFFFAOYSA-N -1 3 375.226 3.306 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000608050899 566697475 /nfs/dbraw/zinc/69/74/75/566697475.db2.gz SJKVOBXSODWOFL-UHFFFAOYSA-N -1 3 376.194 3.079 20 0 GGADHM COC(=O)Cc1occc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000580489599 566697765 /nfs/dbraw/zinc/69/77/65/566697765.db2.gz RCHVPTPYENCVOD-UHFFFAOYSA-N -1 3 375.431 3.250 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)ncn2C)c1nc(C(F)(F)F)cs1 ZINC000580506304 566699188 /nfs/dbraw/zinc/69/91/88/566699188.db2.gz CTJNMADCWMJQIU-QMMMGPOBSA-N -1 3 390.412 3.088 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ncc(C2CCCCC2)s1 ZINC000541131072 566699047 /nfs/dbraw/zinc/69/90/47/566699047.db2.gz HJTYNQZEWNSLHU-UHFFFAOYSA-N -1 3 385.536 3.169 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N(C)C ZINC000515216896 566699265 /nfs/dbraw/zinc/69/92/65/566699265.db2.gz CYRNZCCPSRBSAN-AWEZNQCLSA-N -1 3 386.876 3.069 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N(C)C ZINC000515216897 566699946 /nfs/dbraw/zinc/69/99/46/566699946.db2.gz CYRNZCCPSRBSAN-CQSZACIVSA-N -1 3 386.876 3.069 20 0 GGADHM COC(=O)c1ccc(CSc2[n-]c(=O)nc(C)c2C(=O)OC)cc1Cl ZINC000450741869 566701537 /nfs/dbraw/zinc/70/15/37/566701537.db2.gz YPCYDDBMECSYJE-UHFFFAOYSA-N -1 3 382.825 3.010 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCCOC(C)C ZINC000541188961 566702295 /nfs/dbraw/zinc/70/22/95/566702295.db2.gz ABUDZMLKEBKNRQ-UHFFFAOYSA-N -1 3 385.507 3.171 20 0 GGADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541210884 566703011 /nfs/dbraw/zinc/70/30/11/566703011.db2.gz HIAKKZNNOAXCOZ-JTQLQIEISA-N -1 3 389.702 3.407 20 0 GGADHM O=C1CCOc2ccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCCCC3)cc21 ZINC000515297420 566703105 /nfs/dbraw/zinc/70/31/05/566703105.db2.gz LEZYDZBHKKGOJK-UHFFFAOYSA-N -1 3 377.384 3.195 20 0 GGADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1(C)C ZINC000541212811 566703166 /nfs/dbraw/zinc/70/31/66/566703166.db2.gz MYGFXVPXAVNXIL-RYUDHWBXSA-N -1 3 382.707 3.194 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)cc1OC ZINC000515336680 566705334 /nfs/dbraw/zinc/70/53/34/566705334.db2.gz CDQVNBCNQOZWGR-UHFFFAOYSA-N -1 3 381.841 3.343 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@@H]1CCCCS1 ZINC000541233643 566706516 /nfs/dbraw/zinc/70/65/16/566706516.db2.gz MVVAKFMHFWMWLP-ZDUSSCGKSA-N -1 3 392.905 3.144 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000541247378 566707325 /nfs/dbraw/zinc/70/73/25/566707325.db2.gz WFUCCLGMBPPXIA-UHFFFAOYSA-N -1 3 388.258 3.118 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000561477149 566707622 /nfs/dbraw/zinc/70/76/22/566707622.db2.gz KMOHASLKDXUBHK-CQSZACIVSA-N -1 3 387.914 3.431 20 0 GGADHM COc1ccc(CN(CCO)Cc2cccc(F)c2)c(Br)c1[O-] ZINC000426378349 566708300 /nfs/dbraw/zinc/70/83/00/566708300.db2.gz LLYNOAILYWCFIO-UHFFFAOYSA-N -1 3 384.245 3.297 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)CCC1 ZINC000515374228 566708376 /nfs/dbraw/zinc/70/83/76/566708376.db2.gz AKTTZNAXSIKMSK-UHFFFAOYSA-N -1 3 380.279 3.073 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c1 ZINC000515379365 566708509 /nfs/dbraw/zinc/70/85/09/566708509.db2.gz VPUUJJPJXPRPQQ-WDEREUQCSA-N -1 3 379.295 3.074 20 0 GGADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c1 ZINC000515379363 566708660 /nfs/dbraw/zinc/70/86/60/566708660.db2.gz VPUUJJPJXPRPQQ-MNOVXSKESA-N -1 3 379.295 3.074 20 0 GGADHM COC(=O)c1ccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)[n-]1 ZINC000426410905 566710120 /nfs/dbraw/zinc/71/01/20/566710120.db2.gz KEVYSFJOZBMCLV-UHFFFAOYSA-N -1 3 380.173 3.344 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(O)cc1 ZINC000676844694 566710135 /nfs/dbraw/zinc/71/01/35/566710135.db2.gz WVBMQVOFDBUEFC-UHFFFAOYSA-N -1 3 386.267 3.032 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-][C@H](CO)c1cc(F)ccc1F ZINC000676848355 566711378 /nfs/dbraw/zinc/71/13/78/566711378.db2.gz FGYYDDQSFIIBKE-OAHLLOKOSA-N -1 3 396.242 3.425 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cc(F)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000676848672 566711515 /nfs/dbraw/zinc/71/15/15/566711515.db2.gz JOCIMHZCGNSQPD-CQSZACIVSA-N -1 3 382.215 3.284 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CO)C3CCCCC3)s2)cs1 ZINC000676863798 566712424 /nfs/dbraw/zinc/71/24/24/566712424.db2.gz WDDKGJIKDPYRAH-CYBMUJFWSA-N -1 3 386.564 3.400 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2Cl)s1 ZINC000561513782 566712323 /nfs/dbraw/zinc/71/23/23/566712323.db2.gz JGHMLUBVDFDXMN-ZETCQYMHSA-N -1 3 394.305 3.448 20 0 GGADHM Cc1sc(Br)cc1S(=O)(=O)[N-][C@H](CO)c1ccccc1C ZINC000676862807 566712499 /nfs/dbraw/zinc/71/24/99/566712499.db2.gz UEKCPTVUJANCEB-GFCCVEGCSA-N -1 3 390.324 3.139 20 0 GGADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(F)c(Cl)c1 ZINC000676866024 566712689 /nfs/dbraw/zinc/71/26/89/566712689.db2.gz UNGHWKPFXSUFRI-UHFFFAOYSA-N -1 3 394.649 3.426 20 0 GGADHM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000515452859 566712882 /nfs/dbraw/zinc/71/28/82/566712882.db2.gz HKLIOURJOYIQSK-UHFFFAOYSA-N -1 3 388.198 3.231 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CO)C3CCCCC3)s2)cs1 ZINC000676863807 566713005 /nfs/dbraw/zinc/71/30/05/566713005.db2.gz WDDKGJIKDPYRAH-ZDUSSCGKSA-N -1 3 386.564 3.400 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1Br)c1ccccc1 ZINC000561518488 566713246 /nfs/dbraw/zinc/71/32/46/566713246.db2.gz DIICFPIWBQSESD-MRXNPFEDSA-N -1 3 384.295 3.256 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000676891234 566714310 /nfs/dbraw/zinc/71/43/10/566714310.db2.gz CYNYMEZTLQBZFB-ZJUUUORDSA-N -1 3 382.707 3.196 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000541313197 566715137 /nfs/dbraw/zinc/71/51/37/566715137.db2.gz IAYOLLBYQJPHRJ-OAHLLOKOSA-N -1 3 381.416 3.493 20 0 GGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC000580683178 566715631 /nfs/dbraw/zinc/71/56/31/566715631.db2.gz RECHGZRZJDLGSR-UHFFFAOYSA-N -1 3 383.466 3.454 20 0 GGADHM CC(C)Oc1ccccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000676905260 566716332 /nfs/dbraw/zinc/71/63/32/566716332.db2.gz REEUORGJBYUEPF-UHFFFAOYSA-N -1 3 388.942 3.257 20 0 GGADHM Cc1ncc(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000541328076 566716431 /nfs/dbraw/zinc/71/64/31/566716431.db2.gz MOKRVUPTCXSVLB-UHFFFAOYSA-N -1 3 385.251 3.066 20 0 GGADHM CN(C)Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1F ZINC000561538618 566716969 /nfs/dbraw/zinc/71/69/69/566716969.db2.gz PGYPXVXKJVBPPN-UHFFFAOYSA-N -1 3 392.830 3.297 20 0 GGADHM CC(C)=C[C@H]1[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000676945577 566717065 /nfs/dbraw/zinc/71/70/65/566717065.db2.gz FIBHAJUNXHCUCM-SMDDNHRTSA-N -1 3 390.958 3.034 20 0 GGADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F ZINC000515515955 566717878 /nfs/dbraw/zinc/71/78/78/566717878.db2.gz PPCMLXKZDRTDAA-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)cc1OC ZINC000515517926 566717968 /nfs/dbraw/zinc/71/79/68/566717968.db2.gz YNRRGEMRYCCREC-UHFFFAOYSA-N -1 3 385.482 3.262 20 0 GGADHM Cc1ncc(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)c(=O)[n-]1 ZINC000541338927 566718172 /nfs/dbraw/zinc/71/81/72/566718172.db2.gz QDMZFWVPQAMLFN-NSHDSACASA-N -1 3 393.285 3.074 20 0 GGADHM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(F)c1 ZINC000488247850 566718212 /nfs/dbraw/zinc/71/82/12/566718212.db2.gz LNFBVVRDGQXSQW-UHFFFAOYSA-N -1 3 396.749 3.398 20 0 GGADHM CC[C@H](Cc1ccccc1Br)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000541340192 566718374 /nfs/dbraw/zinc/71/83/74/566718374.db2.gz AVIDMMYKJFZGAN-CQSZACIVSA-N -1 3 393.285 3.074 20 0 GGADHM COCC1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCC1 ZINC000515538108 566719475 /nfs/dbraw/zinc/71/94/75/566719475.db2.gz KKNSHQKTWAVHAX-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM COCC1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCC1 ZINC000515538108 566719479 /nfs/dbraw/zinc/71/94/79/566719479.db2.gz KKNSHQKTWAVHAX-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM COCC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1 ZINC000515538108 566719484 /nfs/dbraw/zinc/71/94/84/566719484.db2.gz KKNSHQKTWAVHAX-UHFFFAOYSA-N -1 3 390.241 3.352 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000561558421 566719983 /nfs/dbraw/zinc/71/99/83/566719983.db2.gz SQCQNMWUTUYPHB-RMLUDKJBSA-N -1 3 376.331 3.040 20 0 GGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000561558420 566720475 /nfs/dbraw/zinc/72/04/75/566720475.db2.gz SQCQNMWUTUYPHB-CLAHSXSESA-N -1 3 376.331 3.040 20 0 GGADHM COCCN(C)CCCN=c1[n-]nc(-c2cc(Br)ccc2C)s1 ZINC000468698732 566721128 /nfs/dbraw/zinc/72/11/28/566721128.db2.gz ONSFPLAZLQQNBM-UHFFFAOYSA-N -1 3 399.358 3.078 20 0 GGADHM O=C([O-])c1ccnc(N2CCC(NCc3sccc3Br)CC2)c1 ZINC000426630730 566721381 /nfs/dbraw/zinc/72/13/81/566721381.db2.gz KRLWBEYULNGMFZ-UHFFFAOYSA-N -1 3 396.310 3.362 20 0 GGADHM O=C([O-])[C@@H](CNCc1ccc(Br)cc1F)Oc1ccc(F)cc1 ZINC000426630803 566721439 /nfs/dbraw/zinc/72/14/39/566721439.db2.gz VUBFPWDIFHHWPF-OAHLLOKOSA-N -1 3 386.192 3.349 20 0 GGADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000515586329 566722214 /nfs/dbraw/zinc/72/22/14/566722214.db2.gz UPBKMXKHMFHTKX-SECBINFHSA-N -1 3 385.208 3.456 20 0 GGADHM COc1ccc(Br)c(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426629304 566722500 /nfs/dbraw/zinc/72/25/00/566722500.db2.gz QAGIOWPLBUJURP-INIZCTEOSA-N -1 3 398.228 3.219 20 0 GGADHM C[C@@H]1C[C@H](N=c2[n-]nc(-c3cc(Br)ccc3F)s2)CCN1C ZINC000468721538 566722804 /nfs/dbraw/zinc/72/28/04/566722804.db2.gz CZFKFUAYDZFQOV-MWLCHTKSSA-N -1 3 385.306 3.423 20 0 GGADHM C[C@H]1C[C@@H](N=c2[n-]nc(-c3cc(Br)ccc3F)s2)CCN1C ZINC000468721539 566723048 /nfs/dbraw/zinc/72/30/48/566723048.db2.gz CZFKFUAYDZFQOV-ONGXEEELSA-N -1 3 385.306 3.423 20 0 GGADHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000541390791 566723510 /nfs/dbraw/zinc/72/35/10/566723510.db2.gz TZWUSRNDFXUMJR-NXEZZACHSA-N -1 3 375.899 3.421 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3cccc(Br)c3)nc(=O)c2c1C ZINC000515610158 566723586 /nfs/dbraw/zinc/72/35/86/566723586.db2.gz YYLLJQSLDHXINC-UHFFFAOYSA-N -1 3 393.262 3.433 20 0 GGADHM COc1cc(C[NH2+]CCc2cccc(C(=O)[O-])c2)cc(Br)c1[O-] ZINC000426671443 566723749 /nfs/dbraw/zinc/72/37/49/566723749.db2.gz MBGHLSPOFDIKDJ-UHFFFAOYSA-N -1 3 380.238 3.194 20 0 GGADHM O=C([O-])c1cccc(CNCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000426695043 566723984 /nfs/dbraw/zinc/72/39/84/566723984.db2.gz HAZLBWKRDBSRGM-UHFFFAOYSA-N -1 3 378.222 3.208 20 0 GGADHM COc1ccc(Br)cc1CNCCc1ccc(OCC(=O)[O-])cc1 ZINC000426671568 566724107 /nfs/dbraw/zinc/72/41/07/566724107.db2.gz MRNMYIYPGTWWPI-UHFFFAOYSA-N -1 3 394.265 3.253 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)s1 ZINC000580802155 566724205 /nfs/dbraw/zinc/72/42/05/566724205.db2.gz NGZBWWMNDBIYKX-UHFFFAOYSA-N -1 3 380.516 3.077 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000580805388 566724320 /nfs/dbraw/zinc/72/43/20/566724320.db2.gz RSADVUKURKFTEQ-NXEZZACHSA-N -1 3 398.834 3.037 20 0 GGADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCC1)c1ccc(Br)cn1 ZINC000677126437 566724673 /nfs/dbraw/zinc/72/46/73/566724673.db2.gz ROOSOJDHHLALPF-UHFFFAOYSA-N -1 3 385.258 3.341 20 0 GGADHM Cc1ncc(CNC(=O)c2cc(C(F)(F)F)ccc2Br)c(=O)[n-]1 ZINC000541457625 566725844 /nfs/dbraw/zinc/72/58/44/566725844.db2.gz LPHKDOUWMIDYKT-UHFFFAOYSA-N -1 3 390.159 3.202 20 0 GGADHM CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1cnc(C)[n-]c1=O ZINC000541458515 566726297 /nfs/dbraw/zinc/72/62/97/566726297.db2.gz JXYKDLHJUXEATM-CYBMUJFWSA-N -1 3 378.270 3.138 20 0 GGADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)cs2)N2CCCC2)cc1 ZINC000450974935 566726698 /nfs/dbraw/zinc/72/66/98/566726698.db2.gz NXUHGRWZVPCLQE-KRWDZBQOSA-N -1 3 380.535 3.181 20 0 GGADHM COc1ccc(CN[C@H](Cc2ccc(F)cc2)C(=O)[O-])c(Br)c1O ZINC000426744857 566726929 /nfs/dbraw/zinc/72/69/29/566726929.db2.gz DVVAULGFEGXMEX-CYBMUJFWSA-N -1 3 398.228 3.088 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2ccc(Cl)c(Br)c2)C(=O)[O-])n1 ZINC000426742807 566727182 /nfs/dbraw/zinc/72/71/82/566727182.db2.gz LENHWQUJOJZBBX-AWEZNQCLSA-N -1 3 386.677 3.159 20 0 GGADHM Cc1cc(C)n(C[C@H](NCc2cc(Br)ccc2Cl)C(=O)[O-])n1 ZINC000426763939 566727280 /nfs/dbraw/zinc/72/72/80/566727280.db2.gz USFYSWZQMUNHBL-AWEZNQCLSA-N -1 3 386.677 3.159 20 0 GGADHM CCOc1cccc(CN[C@@H](Cc2cccc(Br)c2)C(=O)[O-])n1 ZINC000426753094 566727338 /nfs/dbraw/zinc/72/73/38/566727338.db2.gz GTFRIPPZMHVDMZ-HNNXBMFYSA-N -1 3 379.254 3.028 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2)c1ccccc1 ZINC000450973262 566727298 /nfs/dbraw/zinc/72/72/98/566727298.db2.gz SEJPPBGASYPYPD-KRWDZBQOSA-N -1 3 383.853 3.241 20 0 GGADHM Cc1ncc(CNC(=O)Nc2cc(Br)cc(OC(C)C)c2)c(=O)[n-]1 ZINC000541468119 566727463 /nfs/dbraw/zinc/72/74/63/566727463.db2.gz DHDDOTILIYAEPR-UHFFFAOYSA-N -1 3 395.257 3.362 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2)c1ccccc1 ZINC000450973263 566727473 /nfs/dbraw/zinc/72/74/73/566727473.db2.gz SEJPPBGASYPYPD-QGZVFWFLSA-N -1 3 383.853 3.241 20 0 GGADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1sccc1F ZINC000450973773 566727506 /nfs/dbraw/zinc/72/75/06/566727506.db2.gz UGTOEGXPWRWXAL-UHFFFAOYSA-N -1 3 386.539 3.279 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1cccs1 ZINC000450978876 566728282 /nfs/dbraw/zinc/72/82/82/566728282.db2.gz GOHVJFIYLCFVHZ-AWEZNQCLSA-N -1 3 376.906 3.263 20 0 GGADHM COc1cccc(C[C@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000426779271 566728343 /nfs/dbraw/zinc/72/83/43/566728343.db2.gz GAPJJGKKKNBAMK-INIZCTEOSA-N -1 3 382.229 3.382 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C)cs2)N2CCCC2)c1 ZINC000450983800 566728455 /nfs/dbraw/zinc/72/84/55/566728455.db2.gz AVSJOXONTNVYIM-KRWDZBQOSA-N -1 3 380.535 3.181 20 0 GGADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccsc1 ZINC000426783804 566728916 /nfs/dbraw/zinc/72/89/16/566728916.db2.gz NZCWBZHWLYZQGY-CYBMUJFWSA-N -1 3 384.251 3.197 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000450983632 566728868 /nfs/dbraw/zinc/72/88/68/566728868.db2.gz RSTFBIYSTODIOQ-CABCVRRESA-N -1 3 376.469 3.161 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000677168049 566729082 /nfs/dbraw/zinc/72/90/82/566729082.db2.gz WHJRGDVRPAVDGZ-MRXNPFEDSA-N -1 3 395.297 3.064 20 0 GGADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccsc1 ZINC000426783805 566729671 /nfs/dbraw/zinc/72/96/71/566729671.db2.gz NZCWBZHWLYZQGY-ZDUSSCGKSA-N -1 3 384.251 3.197 20 0 GGADHM Cc1nc(C)c(CC(=O)NCCc2ccc(Br)cc2Cl)c(=O)[n-]1 ZINC000561682285 566729830 /nfs/dbraw/zinc/72/98/30/566729830.db2.gz HNPXIWGSRWUMLM-UHFFFAOYSA-N -1 3 398.688 3.116 20 0 GGADHM COc1cccc(C[C@@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000426798730 566731669 /nfs/dbraw/zinc/73/16/69/566731669.db2.gz GCBPSDHEVSXFQX-MRXNPFEDSA-N -1 3 382.229 3.382 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc(OC)c1 ZINC000426811349 566731712 /nfs/dbraw/zinc/73/17/12/566731712.db2.gz MDMOQXLTZUPQOW-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM Cc1ccccc1C[C@@H](CNCc1cc(C)c(Br)cn1)C(=O)[O-] ZINC000630452824 566732091 /nfs/dbraw/zinc/73/20/91/566732091.db2.gz OZHDEIKDFWFINA-HNNXBMFYSA-N -1 3 377.282 3.494 20 0 GGADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1cccs1 ZINC000426814637 566732179 /nfs/dbraw/zinc/73/21/79/566732179.db2.gz ABNHBCMPIDTMHM-CYBMUJFWSA-N -1 3 384.251 3.197 20 0 GGADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000541538058 566732490 /nfs/dbraw/zinc/73/24/90/566732490.db2.gz MBNAHAWQUGWBSR-NWDGAFQWSA-N -1 3 394.306 3.460 20 0 GGADHM O=S(=O)([N-]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1c[nH]cn1 ZINC000468813261 566732412 /nfs/dbraw/zinc/73/24/12/566732412.db2.gz DEXUPKJEPWGTCZ-UHFFFAOYSA-N -1 3 379.791 3.092 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC2CCCCC2)nc1)c1cncc(Cl)c1 ZINC000677238919 566732936 /nfs/dbraw/zinc/73/29/36/566732936.db2.gz JCQBWVSVPXHGBJ-UHFFFAOYSA-N -1 3 381.885 3.320 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cnc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000677240536 566733205 /nfs/dbraw/zinc/73/32/05/566733205.db2.gz GHGRRXAOCUNOQI-LBPRGKRZSA-N -1 3 380.413 3.136 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2cccc(COCc3ccco3)c2)s1 ZINC000677238636 566733256 /nfs/dbraw/zinc/73/32/56/566733256.db2.gz FZEIVVBBJYWKTL-UHFFFAOYSA-N -1 3 378.475 3.240 20 0 GGADHM CCOc1cc(CN[C@H](Cc2ccco2)C(=O)[O-])cc(Br)c1OC ZINC000426816112 566733305 /nfs/dbraw/zinc/73/33/05/566733305.db2.gz NWHHTXCIXFGDHM-CQSZACIVSA-N -1 3 398.253 3.235 20 0 GGADHM Cc1ccccc1C[C@@H](CNCc1ncc(Br)cc1F)C(=O)[O-] ZINC000630453302 566733628 /nfs/dbraw/zinc/73/36/28/566733628.db2.gz ZDACRCXUGNVZOD-ZDUSSCGKSA-N -1 3 381.245 3.325 20 0 GGADHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000677241500 566734327 /nfs/dbraw/zinc/73/43/27/566734327.db2.gz SHFRLZKVPZYODJ-HNNXBMFYSA-N -1 3 390.292 3.309 20 0 GGADHM CSc1cccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000580914009 566734389 /nfs/dbraw/zinc/73/43/89/566734389.db2.gz QOSIWPIXZVRIKW-UHFFFAOYSA-N -1 3 397.547 3.292 20 0 GGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000451006522 566734497 /nfs/dbraw/zinc/73/44/97/566734497.db2.gz VJVIZOMDKNWUSF-GFCCVEGCSA-N -1 3 398.893 3.037 20 0 GGADHM CO[C@@H](CNCc1cc(Br)c(C)cc1Br)CC(=O)[O-] ZINC000630459714 566734626 /nfs/dbraw/zinc/73/46/26/566734626.db2.gz GKHHYTWKRXKEKJ-SNVBAGLBSA-N -1 3 395.091 3.099 20 0 GGADHM O=S(=O)([N-]CCc1nc2ccccc2n1C(F)F)c1cncc(Cl)c1 ZINC000677241969 566734691 /nfs/dbraw/zinc/73/46/91/566734691.db2.gz WXQWVTAHQSYCGR-UHFFFAOYSA-N -1 3 386.811 3.001 20 0 GGADHM COc1cc(CNC[C@H](CC(=O)[O-])C(F)(F)F)c(F)cc1Br ZINC000630460281 566734967 /nfs/dbraw/zinc/73/49/67/566734967.db2.gz JFESXYJOPGYEHN-QMMMGPOBSA-N -1 3 388.155 3.340 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)Cc1cc(Br)ccc1F ZINC000677244149 566734878 /nfs/dbraw/zinc/73/48/78/566734878.db2.gz FUSMGNVLPYKLDC-QMMMGPOBSA-N -1 3 391.262 3.103 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)s1 ZINC000677240878 566735047 /nfs/dbraw/zinc/73/50/47/566735047.db2.gz JDXCKTKATPHXFW-UHFFFAOYSA-N -1 3 379.532 3.172 20 0 GGADHM CO[C@@H](C[C@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-])C1CC1 ZINC000630461792 566735271 /nfs/dbraw/zinc/73/52/71/566735271.db2.gz FGUGDHOQNNEGKO-RYUDHWBXSA-N -1 3 378.213 3.085 20 0 GGADHM CO[C@H](C[C@@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-])C1CC1 ZINC000630461793 566735298 /nfs/dbraw/zinc/73/52/98/566735298.db2.gz FGUGDHOQNNEGKO-VXGBXAGGSA-N -1 3 378.213 3.085 20 0 GGADHM CO[C@H](CNCc1cc(Br)c(C)cc1Br)CC(=O)[O-] ZINC000630459713 566735310 /nfs/dbraw/zinc/73/53/10/566735310.db2.gz GKHHYTWKRXKEKJ-JTQLQIEISA-N -1 3 395.091 3.099 20 0 GGADHM COC1(C[C@H](NCc2ccc(Br)c(F)c2F)C(=O)[O-])CCC1 ZINC000630463160 566735385 /nfs/dbraw/zinc/73/53/85/566735385.db2.gz ZEXCZNBCEQATBD-NSHDSACASA-N -1 3 378.213 3.229 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1ccc(C)c(C)c1 ZINC000468833467 566735610 /nfs/dbraw/zinc/73/56/10/566735610.db2.gz FSGLQESRPJQARB-QGZVFWFLSA-N -1 3 379.503 3.218 20 0 GGADHM O=C([O-])CCC1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000515856457 566735958 /nfs/dbraw/zinc/73/59/58/566735958.db2.gz ULTDZINGUMFEMV-CYBMUJFWSA-N -1 3 376.280 3.310 20 0 GGADHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1cc(F)ccc1Cl ZINC000488646946 566738334 /nfs/dbraw/zinc/73/83/34/566738334.db2.gz REZZZFPZSZNTNV-UHFFFAOYSA-N -1 3 379.844 3.186 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000451032960 566739207 /nfs/dbraw/zinc/73/92/07/566739207.db2.gz RLTDNVWTYHHLKH-JOYOIKCWSA-N -1 3 387.445 3.229 20 0 GGADHM CN(C)C[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000580973295 566739215 /nfs/dbraw/zinc/73/92/15/566739215.db2.gz YUZYEJBMZJCTEZ-HNNXBMFYSA-N -1 3 381.245 3.327 20 0 GGADHM O=C(Cc1cc(F)cc2c1OCOC2)NCc1ccc([O-])c(Br)c1 ZINC000488674464 566739244 /nfs/dbraw/zinc/73/92/44/566739244.db2.gz KWRKSELFLLDRNX-UHFFFAOYSA-N -1 3 396.212 3.019 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCc2sccc2C1 ZINC000488669118 566739391 /nfs/dbraw/zinc/73/93/91/566739391.db2.gz NWPLGOYVLHJYIY-LLVKDONJSA-N -1 3 388.917 3.266 20 0 GGADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC000580974236 566739632 /nfs/dbraw/zinc/73/96/32/566739632.db2.gz FUFDWWSCXYTJHS-BZNIZROVSA-N -1 3 382.279 3.391 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC)[C@@H]1CCCO1 ZINC000677315263 566739817 /nfs/dbraw/zinc/73/98/17/566739817.db2.gz KEAKTFAGNUDSEN-STQMWFEESA-N -1 3 392.315 3.084 20 0 GGADHM CC(C)n1ncc2cc(C(=O)NCc3ccc([O-])c(Br)c3)cnc21 ZINC000488677572 566740172 /nfs/dbraw/zinc/74/01/72/566740172.db2.gz PIZOPGLPTQBVKY-UHFFFAOYSA-N -1 3 389.253 3.410 20 0 GGADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)[nH]c2c1C(=O)CCC2 ZINC000488683418 566740998 /nfs/dbraw/zinc/74/09/98/566740998.db2.gz FVPKVHITHZCCIT-UHFFFAOYSA-N -1 3 377.238 3.240 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(CNc2ccncn2)c1 ZINC000541680132 566741682 /nfs/dbraw/zinc/74/16/82/566741682.db2.gz UJTJEEDPQFJGJP-UHFFFAOYSA-N -1 3 399.248 3.231 20 0 GGADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)c1 ZINC000488701670 566741737 /nfs/dbraw/zinc/74/17/37/566741737.db2.gz YSGAWRIGLGVXSX-ZDUSSCGKSA-N -1 3 384.860 3.045 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccc(Cl)s1 ZINC000451045692 566742830 /nfs/dbraw/zinc/74/28/30/566742830.db2.gz YJMLSBIYBDGVNP-VXNVDRBHSA-N -1 3 393.836 3.266 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cncc(Cl)c2Br)c(=O)[n-]1 ZINC000581004780 566742952 /nfs/dbraw/zinc/74/29/52/566742952.db2.gz UXMSZAACJLAVLL-UHFFFAOYSA-N -1 3 385.649 3.181 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCCN1c1ccccc1 ZINC000427066525 566745040 /nfs/dbraw/zinc/74/50/40/566745040.db2.gz ZSGSJMQFPNIPFB-MRXNPFEDSA-N -1 3 375.266 3.440 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000541761004 566745741 /nfs/dbraw/zinc/74/57/41/566745741.db2.gz OPEWTYXWCQIONH-LLVKDONJSA-N -1 3 383.853 3.164 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)C ZINC000561887285 566745898 /nfs/dbraw/zinc/74/58/98/566745898.db2.gz IJMWVIWJWWYBSX-UKRRQHHQSA-N -1 3 381.416 3.187 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000468939189 566745832 /nfs/dbraw/zinc/74/58/32/566745832.db2.gz MGYNXQOTNAQSSP-UHFFFAOYSA-N -1 3 387.929 3.350 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1F ZINC000541761631 566745910 /nfs/dbraw/zinc/74/59/10/566745910.db2.gz MSZQQFOCXCNXRV-NSHDSACASA-N -1 3 382.215 3.284 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000488756167 566746463 /nfs/dbraw/zinc/74/64/63/566746463.db2.gz AZLHPEJFNWZZLZ-UHFFFAOYSA-N -1 3 385.844 3.464 20 0 GGADHM COc1ccc(CN=c2[n-]nc(SCCN3CCC(C)CC3)s2)cc1 ZINC000427093989 566746615 /nfs/dbraw/zinc/74/66/15/566746615.db2.gz RDQHORYBYOPISR-UHFFFAOYSA-N -1 3 378.567 3.405 20 0 GGADHM COc1cc(NC(=O)CC[S@](=O)c2cccc([O-])c2)c(OC)cc1Cl ZINC000541759707 566746653 /nfs/dbraw/zinc/74/66/53/566746653.db2.gz XBNJKAVMDRENHZ-VWLOTQADSA-N -1 3 383.853 3.199 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC000427100551 566746873 /nfs/dbraw/zinc/74/68/73/566746873.db2.gz LMEUBBBVEUQEHL-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c(F)cc1F ZINC000541762613 566746766 /nfs/dbraw/zinc/74/67/66/566746766.db2.gz GOXCUPDGFTTWHU-CYBMUJFWSA-N -1 3 379.787 3.078 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)cnc1C ZINC000427097689 566746974 /nfs/dbraw/zinc/74/69/74/566746974.db2.gz VQSYONMLNLPNQV-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451066785 566747354 /nfs/dbraw/zinc/74/73/54/566747354.db2.gz XPVYWEXINRSABX-GFCCVEGCSA-N -1 3 378.397 3.236 20 0 GGADHM O=S(=O)([N-][C@H]1COc2ccccc2C1)c1cc(C(F)(F)F)ccc1F ZINC000488791147 566747370 /nfs/dbraw/zinc/74/73/70/566747370.db2.gz BJGSFMNGJWGONU-GFCCVEGCSA-N -1 3 375.343 3.127 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cccc(-c2nccs2)c1 ZINC000516136162 566747705 /nfs/dbraw/zinc/74/77/05/566747705.db2.gz UVDHCPVRKWHOME-UHFFFAOYSA-N -1 3 393.515 3.179 20 0 GGADHM CCOCn1nc(C)c(CC(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000630731353 566748005 /nfs/dbraw/zinc/74/80/05/566748005.db2.gz DACPKRQSLOFOQM-UHFFFAOYSA-N -1 3 382.258 3.143 20 0 GGADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C12CCC2 ZINC000516165761 566748436 /nfs/dbraw/zinc/74/84/36/566748436.db2.gz GZRLJPJVJOGLSM-KBPBESRZSA-N -1 3 384.548 3.416 20 0 GGADHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468959828 566748623 /nfs/dbraw/zinc/74/86/23/566748623.db2.gz NDLZRQVOCGQZLA-ZDUSSCGKSA-N -1 3 383.901 3.082 20 0 GGADHM CC[C@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000451071197 566748625 /nfs/dbraw/zinc/74/86/25/566748625.db2.gz QYMOYXQXCNJHQX-NSHDSACASA-N -1 3 386.926 3.408 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000451070835 566748787 /nfs/dbraw/zinc/74/87/87/566748787.db2.gz ZABDLEFTSTVIQW-GFCCVEGCSA-N -1 3 380.413 3.180 20 0 GGADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1cc(C)cc(C)c1 ZINC000468973457 566748807 /nfs/dbraw/zinc/74/88/07/566748807.db2.gz ODLFQHQVMUQGJK-KRWDZBQOSA-N -1 3 379.503 3.218 20 0 GGADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C12CCC2 ZINC000516165762 566748953 /nfs/dbraw/zinc/74/89/53/566748953.db2.gz GZRLJPJVJOGLSM-KGLIPLIRSA-N -1 3 384.548 3.416 20 0 GGADHM CCOc1cccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451069142 566748963 /nfs/dbraw/zinc/74/89/63/566748963.db2.gz SEPRNYKDMIPJNB-LBPRGKRZSA-N -1 3 380.413 3.432 20 0 GGADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc1Br ZINC000451070720 566749021 /nfs/dbraw/zinc/74/90/21/566749021.db2.gz JKQOMEYXXQJFKY-MRVPVSSYSA-N -1 3 399.257 3.038 20 0 GGADHM CC(C)N1C[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)[C@@H](C)C1 ZINC000541798567 566749048 /nfs/dbraw/zinc/74/90/48/566749048.db2.gz MENXCCOZGSDQFH-FZMZJTMJSA-N -1 3 379.917 3.131 20 0 GGADHM O=S(=O)([N-][C@@H]1COc2ccccc2C1)c1ccc(F)cc1C(F)(F)F ZINC000488799874 566749242 /nfs/dbraw/zinc/74/92/42/566749242.db2.gz XJAHDGCMDIJOLZ-LBPRGKRZSA-N -1 3 375.343 3.127 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000451068918 566749295 /nfs/dbraw/zinc/74/92/95/566749295.db2.gz RIVBSWVWHGQZEM-LBPRGKRZSA-N -1 3 379.507 3.380 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(OC(F)F)c2)CCCCC1 ZINC000427130603 566750173 /nfs/dbraw/zinc/75/01/73/566750173.db2.gz KEGQWBAVQSLYMJ-UHFFFAOYSA-N -1 3 377.409 3.153 20 0 GGADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1ccc(Br)c(F)c1 ZINC000541815839 566751209 /nfs/dbraw/zinc/75/12/09/566751209.db2.gz AUARSNQLQQMIFN-UHFFFAOYSA-N -1 3 394.306 3.199 20 0 GGADHM Cc1ncc(S(N)(=O)=O)cc1C(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000654727315 566751224 /nfs/dbraw/zinc/75/12/24/566751224.db2.gz JPMOZHIBFLNPGG-UHFFFAOYSA-N -1 3 399.925 3.444 20 0 GGADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)c(Br)c1 ZINC000654759642 566751396 /nfs/dbraw/zinc/75/13/96/566751396.db2.gz JYFKBINKTFHMAO-MRVPVSSYSA-N -1 3 380.217 3.452 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](C)C1 ZINC000488852523 566751792 /nfs/dbraw/zinc/75/17/92/566751792.db2.gz KQOFWFUNFZQFGP-RYUDHWBXSA-N -1 3 382.423 3.243 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1C ZINC000488854889 566752254 /nfs/dbraw/zinc/75/22/54/566752254.db2.gz PDJFZJCPSUGHFQ-VXGBXAGGSA-N -1 3 382.423 3.386 20 0 GGADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1C ZINC000451088406 566752267 /nfs/dbraw/zinc/75/22/67/566752267.db2.gz YARROMVTGYXVMF-UHFFFAOYSA-N -1 3 387.910 3.302 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1cc(F)ccc1Cl ZINC000488855635 566752560 /nfs/dbraw/zinc/75/25/60/566752560.db2.gz PLAQQJATEWWLKB-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](C)C1 ZINC000488853211 566752995 /nfs/dbraw/zinc/75/29/95/566752995.db2.gz LSQFWOWGRBOJFI-NEPJUHHUSA-N -1 3 382.423 3.243 20 0 GGADHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F ZINC000541828347 566753089 /nfs/dbraw/zinc/75/30/89/566753089.db2.gz WCSYONSYGVORGC-GFCCVEGCSA-N -1 3 378.416 3.172 20 0 GGADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000427172641 566753479 /nfs/dbraw/zinc/75/34/79/566753479.db2.gz XZBWZNUNTLBKPO-UHFFFAOYSA-N -1 3 392.131 3.230 20 0 GGADHM Cc1c(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2Br)cnn1C ZINC000451089566 566753595 /nfs/dbraw/zinc/75/35/95/566753595.db2.gz RJNPHKGKDVHITD-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1cc(C(F)(F)F)ccc1F ZINC000488864656 566753842 /nfs/dbraw/zinc/75/38/42/566753842.db2.gz XZFYPCUVMIIYBI-GFCCVEGCSA-N -1 3 375.343 3.127 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)c2c(c1)OCCO2)c1cc(F)ccc1Cl ZINC000488861907 566753860 /nfs/dbraw/zinc/75/38/60/566753860.db2.gz YZSCAFRVLCNXSI-UHFFFAOYSA-N -1 3 392.235 3.382 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c(Cl)c1 ZINC000581154723 566753765 /nfs/dbraw/zinc/75/37/65/566753765.db2.gz MWEDHUSFFQXIFX-UHFFFAOYSA-N -1 3 382.747 3.269 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1cc(F)ccc1Cl ZINC000488858628 566754158 /nfs/dbraw/zinc/75/41/58/566754158.db2.gz UWWPJBMFYSFRKK-UHFFFAOYSA-N -1 3 398.765 3.294 20 0 GGADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1ccc(F)cc1C(F)(F)F ZINC000488859421 566754181 /nfs/dbraw/zinc/75/41/81/566754181.db2.gz ONQIFMOGUMIEFX-GFCCVEGCSA-N -1 3 375.343 3.127 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1F)c1ccc(F)cc1C(F)(F)F ZINC000488860794 566754243 /nfs/dbraw/zinc/75/42/43/566754243.db2.gz QYVADMZEUBJJIG-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1cc(F)ccc1Cl ZINC000488860924 566754355 /nfs/dbraw/zinc/75/43/55/566754355.db2.gz XRFMZFMDDBXKHF-UHFFFAOYSA-N -1 3 379.844 3.202 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000488888542 566755515 /nfs/dbraw/zinc/75/55/15/566755515.db2.gz WEYJOSJOUBGPBL-ZDUSSCGKSA-N -1 3 396.431 3.487 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000541867259 566756152 /nfs/dbraw/zinc/75/61/52/566756152.db2.gz KRTYJKAOSYVSLW-UHFFFAOYSA-N -1 3 392.290 3.311 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(OC)ccc2Cl)CCCCC1 ZINC000427210030 566758086 /nfs/dbraw/zinc/75/80/86/566758086.db2.gz GCZHBOFAJSMOEK-UHFFFAOYSA-N -1 3 375.874 3.214 20 0 GGADHM COc1ccc(-c2nc(C)sc2CC(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000630860516 566758197 /nfs/dbraw/zinc/75/81/97/566758197.db2.gz NAYNPMMCZAASPL-UHFFFAOYSA-N -1 3 375.479 3.148 20 0 GGADHM COc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000630860516 566758202 /nfs/dbraw/zinc/75/82/02/566758202.db2.gz NAYNPMMCZAASPL-UHFFFAOYSA-N -1 3 375.479 3.148 20 0 GGADHM COc1ccc(-c2nc(C)sc2CC(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000630860516 566758209 /nfs/dbraw/zinc/75/82/09/566758209.db2.gz NAYNPMMCZAASPL-UHFFFAOYSA-N -1 3 375.479 3.148 20 0 GGADHM COc1cccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000488938743 566758173 /nfs/dbraw/zinc/75/81/73/566758173.db2.gz KTSYWYUYPDIINU-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM O=S1(=O)CCC2(CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)CC1 ZINC000581227811 566758513 /nfs/dbraw/zinc/75/85/13/566758513.db2.gz DGDNDHAKJHCYMG-UHFFFAOYSA-N -1 3 377.428 3.202 20 0 GGADHM CCc1c([N-]C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)onc1C(F)(F)F ZINC000516311199 566758603 /nfs/dbraw/zinc/75/86/03/566758603.db2.gz TYOYXTLUEBXZIP-SECBINFHSA-N -1 3 379.404 3.142 20 0 GGADHM O=S(=O)([N-]Cc1cccc2c1OCO2)c1cc(C(F)(F)F)ccc1F ZINC000488948890 566758749 /nfs/dbraw/zinc/75/87/49/566758749.db2.gz ZWRRUDISRBGMTQ-UHFFFAOYSA-N -1 3 377.315 3.052 20 0 GGADHM CCN(CC)C(=O)C1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC000488948655 566758906 /nfs/dbraw/zinc/75/89/06/566758906.db2.gz YRGIDSWBVMENRA-UHFFFAOYSA-N -1 3 390.908 3.329 20 0 GGADHM CCOCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469091455 566760227 /nfs/dbraw/zinc/76/02/27/566760227.db2.gz XXBLAMNNCLFMSN-UHFFFAOYSA-N -1 3 387.661 3.100 20 0 GGADHM CCOCCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469091455 566760232 /nfs/dbraw/zinc/76/02/32/566760232.db2.gz XXBLAMNNCLFMSN-UHFFFAOYSA-N -1 3 387.661 3.100 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(F)ccc1Cl ZINC000488966823 566760557 /nfs/dbraw/zinc/76/05/57/566760557.db2.gz CSNUGHQMHMGENJ-UHFFFAOYSA-N -1 3 383.807 3.282 20 0 GGADHM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000451112733 566761237 /nfs/dbraw/zinc/76/12/37/566761237.db2.gz HJYCPXLHOXYPHS-UHFFFAOYSA-N -1 3 381.519 3.347 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000427250544 566761298 /nfs/dbraw/zinc/76/12/98/566761298.db2.gz PIPFDIBXWOQBBR-MRXNPFEDSA-N -1 3 388.555 3.085 20 0 GGADHM O=c1[nH]c2ccccc2n1CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000427260265 566761347 /nfs/dbraw/zinc/76/13/47/566761347.db2.gz KYCZHTUVAXHSDY-UHFFFAOYSA-N -1 3 386.260 3.027 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)ccc1Cl ZINC000488981320 566761398 /nfs/dbraw/zinc/76/13/98/566761398.db2.gz WROJPFLELUHCFT-GFCCVEGCSA-N -1 3 386.851 3.423 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)ccc1F ZINC000581257708 566761560 /nfs/dbraw/zinc/76/15/60/566761560.db2.gz MBAMMIGTGWDYPD-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000581260549 566761732 /nfs/dbraw/zinc/76/17/32/566761732.db2.gz BCDMQVDUTPKJGN-UHFFFAOYSA-N -1 3 397.172 3.369 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)ccc1Cl ZINC000488981321 566762122 /nfs/dbraw/zinc/76/21/22/566762122.db2.gz WROJPFLELUHCFT-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM O=c1[nH]c2ccccc2n1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000427282829 566762606 /nfs/dbraw/zinc/76/26/06/566762606.db2.gz VNVDIOYEOLYTIW-UHFFFAOYSA-N -1 3 386.260 3.027 20 0 GGADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000562070399 566762610 /nfs/dbraw/zinc/76/26/10/566762610.db2.gz MBONQHYAOWQTBS-UHFFFAOYSA-N -1 3 393.818 3.298 20 0 GGADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000516428813 566763288 /nfs/dbraw/zinc/76/32/88/566763288.db2.gz BQFRJYMUWONEKJ-JQWIXIFHSA-N -1 3 383.853 3.322 20 0 GGADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2sc(Br)cc2C1 ZINC000654930869 566763496 /nfs/dbraw/zinc/76/34/96/566763496.db2.gz XHKMYQNNGJKEHG-UHFFFAOYSA-N -1 3 380.267 3.082 20 0 GGADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n[nH]1 ZINC000677807572 566763644 /nfs/dbraw/zinc/76/36/44/566763644.db2.gz UXXNHEXWKCXLQC-VIFPVBQESA-N -1 3 377.297 3.330 20 0 GGADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654918931 566763814 /nfs/dbraw/zinc/76/38/14/566763814.db2.gz VIBXEOCJEZUORZ-VIFPVBQESA-N -1 3 394.244 3.322 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n[nH]1 ZINC000677807571 566763788 /nfs/dbraw/zinc/76/37/88/566763788.db2.gz UXXNHEXWKCXLQC-SECBINFHSA-N -1 3 377.297 3.330 20 0 GGADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654918929 566763876 /nfs/dbraw/zinc/76/38/76/566763876.db2.gz VIBXEOCJEZUORZ-SECBINFHSA-N -1 3 394.244 3.322 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000489006224 566764163 /nfs/dbraw/zinc/76/41/63/566764163.db2.gz ZBRGAQIFNNTMKX-GFCCVEGCSA-N -1 3 396.431 3.487 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c1 ZINC000427284394 566764347 /nfs/dbraw/zinc/76/43/47/566764347.db2.gz MBTGXYDDVFKRKV-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM Cc1c(Br)cccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000581282392 566764478 /nfs/dbraw/zinc/76/44/78/566764478.db2.gz IADUQIUDLRKEDM-UHFFFAOYSA-N -1 3 376.194 3.078 20 0 GGADHM O=c1cc(CNc2ccc(I)cc2F)nc(C2CC2)[n-]1 ZINC000516492375 566764470 /nfs/dbraw/zinc/76/44/70/566764470.db2.gz WVMRWFNBKCOREI-UHFFFAOYSA-N -1 3 385.180 3.415 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000469133631 566764596 /nfs/dbraw/zinc/76/45/96/566764596.db2.gz UMQXKCPKPZZFRB-CHWSQXEVSA-N -1 3 393.933 3.236 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000451131761 566764652 /nfs/dbraw/zinc/76/46/52/566764652.db2.gz SVOJBZOXUPARHF-CABCVRRESA-N -1 3 378.485 3.407 20 0 GGADHM Cc1cc(Cc2noc(Cc3c(C)nc(C)[n-]c3=O)n2)ccc1Br ZINC000562119639 566765540 /nfs/dbraw/zinc/76/55/40/566765540.db2.gz KKFWIOYFZFGFDB-UHFFFAOYSA-N -1 3 389.253 3.435 20 0 GGADHM COc1ccccc1OCCN(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000581316370 566766829 /nfs/dbraw/zinc/76/68/29/566766829.db2.gz VCTQDEHUWZVZOE-UHFFFAOYSA-N -1 3 394.265 3.423 20 0 GGADHM CCCNC(=O)C1([N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCCCC1 ZINC000451154675 566766876 /nfs/dbraw/zinc/76/68/76/566766876.db2.gz LZGGMBOBBFFUJI-UHFFFAOYSA-N -1 3 390.908 3.128 20 0 GGADHM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469164961 566767258 /nfs/dbraw/zinc/76/72/58/566767258.db2.gz YETFTSYBAXPUBH-HNNXBMFYSA-N -1 3 375.918 3.348 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000451155950 566767442 /nfs/dbraw/zinc/76/74/42/566767442.db2.gz QFMJPXPQLQZGLS-CQSZACIVSA-N -1 3 378.479 3.177 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)N1CCc2sccc2C1 ZINC000451159773 566767935 /nfs/dbraw/zinc/76/79/35/566767935.db2.gz DVHLCSYNZFEIGC-AWEZNQCLSA-N -1 3 398.575 3.150 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CCCc2ccccc2Cl)ccc1F ZINC000562177877 566768227 /nfs/dbraw/zinc/76/82/27/566768227.db2.gz SQSGSTDHCPIWBE-UHFFFAOYSA-N -1 3 384.860 3.349 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N(CCO)Cc1cccc(Br)c1 ZINC000489089472 566768277 /nfs/dbraw/zinc/76/82/77/566768277.db2.gz RDFGUMVGLGBLAW-UHFFFAOYSA-N -1 3 398.684 3.372 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cs1 ZINC000489082549 566768353 /nfs/dbraw/zinc/76/83/53/566768353.db2.gz MYGJJBHLQKXJSA-UHFFFAOYSA-N -1 3 384.376 3.010 20 0 GGADHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C(=O)OC)cc1 ZINC000451165861 566768729 /nfs/dbraw/zinc/76/87/29/566768729.db2.gz MJLIUYLODFEETD-GFCCVEGCSA-N -1 3 380.491 3.020 20 0 GGADHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469197495 566769909 /nfs/dbraw/zinc/76/99/09/566769909.db2.gz AZADXOMRVDYEKM-DOMZBBRYSA-N -1 3 375.918 3.204 20 0 GGADHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469197523 566770977 /nfs/dbraw/zinc/77/09/77/566770977.db2.gz AZADXOMRVDYEKM-SWLSCSKDSA-N -1 3 375.918 3.204 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000469213812 566771599 /nfs/dbraw/zinc/77/15/99/566771599.db2.gz NKFMREQIUXCCNS-LRDDRELGSA-N -1 3 393.958 3.318 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469233547 566772984 /nfs/dbraw/zinc/77/29/84/566772984.db2.gz OECMPJXCIYGUGC-ZBFHGGJFSA-N 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/nfs/dbraw/zinc/77/52/58/566775258.db2.gz GFHJPKMLMOCJPJ-UHFFFAOYSA-N -1 3 397.154 3.326 20 0 GGADHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1Cl)C(C)C ZINC000451205398 566776570 /nfs/dbraw/zinc/77/65/70/566776570.db2.gz YBJVZTLVHOIPPN-OAHLLOKOSA-N -1 3 382.869 3.197 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(-c3ncc[nH]3)c2)c1 ZINC000542140971 566776590 /nfs/dbraw/zinc/77/65/90/566776590.db2.gz NSSAUQDTYNRBLL-UHFFFAOYSA-N -1 3 377.853 3.217 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc(N2CCCC2)n1 ZINC000516688889 566777414 /nfs/dbraw/zinc/77/74/14/566777414.db2.gz OCWUFPVBZCPIJR-UHFFFAOYSA-N -1 3 383.876 3.261 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000451207613 566777440 /nfs/dbraw/zinc/77/74/40/566777440.db2.gz LIQZZHONVSVZNK-GFCCVEGCSA-N -1 3 388.461 3.215 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000451207614 566777480 /nfs/dbraw/zinc/77/74/80/566777480.db2.gz LIQZZHONVSVZNK-LBPRGKRZSA-N -1 3 388.461 3.215 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)o1 ZINC000609632617 566777559 /nfs/dbraw/zinc/77/75/59/566777559.db2.gz BNQKJKDSVQJREV-UHFFFAOYSA-N -1 3 392.260 3.468 20 0 GGADHM C[C@H](c1ccccc1)N(C(=O)CC[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000581446099 566778136 /nfs/dbraw/zinc/77/81/36/566778136.db2.gz DPXWYRPHIGAFDX-CQSZACIVSA-N -1 3 378.519 3.169 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(F)c2F)s1 ZINC000678040380 566778643 /nfs/dbraw/zinc/77/86/43/566778643.db2.gz GHHYCSXOCZDPIT-ZJUUUORDSA-N -1 3 388.461 3.263 20 0 GGADHM COc1cc(CC(=O)Nc2ccc(Br)cc2[O-])cc(OC)c1O ZINC000516708715 566779201 /nfs/dbraw/zinc/77/92/01/566779201.db2.gz QYQSTKQPCISHAX-UHFFFAOYSA-N -1 3 382.210 3.059 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000542167791 566779769 /nfs/dbraw/zinc/77/97/69/566779769.db2.gz FFNCEPVHUPXGRI-HNNXBMFYSA-N -1 3 376.254 3.325 20 0 GGADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)C1 ZINC000469312638 566780532 /nfs/dbraw/zinc/78/05/32/566780532.db2.gz IWADKLDTGXSVLD-CABCVRRESA-N -1 3 391.530 3.194 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C ZINC000469310646 566780596 /nfs/dbraw/zinc/78/05/96/566780596.db2.gz VSPJKXRYOGTGNU-LRDDRELGSA-N -1 3 393.933 3.093 20 0 GGADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1OC(C)C ZINC000427611522 566783100 /nfs/dbraw/zinc/78/31/00/566783100.db2.gz GJNXBCZSBCUVBH-UHFFFAOYSA-N -1 3 382.507 3.151 20 0 GGADHM COC(=O)CCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000609750249 566783432 /nfs/dbraw/zinc/78/34/32/566783432.db2.gz IRICZDTXXMEWPF-UHFFFAOYSA-N -1 3 378.841 3.220 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2cscc2Cl)CC1)c1cccs1 ZINC000678130281 566783505 /nfs/dbraw/zinc/78/35/05/566783505.db2.gz TWIKOKHAFFATNZ-UHFFFAOYSA-N -1 3 376.956 3.406 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000469349061 566784364 /nfs/dbraw/zinc/78/43/64/566784364.db2.gz ZNTIDBRZNLMONU-LBPRGKRZSA-N -1 3 393.958 3.175 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000469353589 566784479 /nfs/dbraw/zinc/78/44/79/566784479.db2.gz FIQWNOCHDLLASH-CYBMUJFWSA-N -1 3 375.918 3.468 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1 ZINC000542238875 566784882 /nfs/dbraw/zinc/78/48/82/566784882.db2.gz OXLJCRZPZBPFFA-NSHDSACASA-N -1 3 380.329 3.022 20 0 GGADHM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000609796310 566785406 /nfs/dbraw/zinc/78/54/06/566785406.db2.gz NIJZVNONXWKEJJ-DEOSSOPVSA-N -1 3 393.408 3.166 20 0 GGADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451264208 566785583 /nfs/dbraw/zinc/78/55/83/566785583.db2.gz JAZDSLFRNSGHBF-LBPRGKRZSA-N -1 3 387.860 3.375 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451276548 566786460 /nfs/dbraw/zinc/78/64/60/566786460.db2.gz KJNLXQCMKVNENO-UHFFFAOYSA-N -1 3 388.898 3.026 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000542239684 566786670 /nfs/dbraw/zinc/78/66/70/566786670.db2.gz DMWXEGLIFROVHU-MNOVXSKESA-N -1 3 380.279 3.072 20 0 GGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000542239687 566787104 /nfs/dbraw/zinc/78/71/04/566787104.db2.gz DMWXEGLIFROVHU-WDEREUQCSA-N -1 3 380.279 3.072 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCC2CC2)cc1 ZINC000469386098 566787102 /nfs/dbraw/zinc/78/71/02/566787102.db2.gz LPXFFKHHMPOPNL-CQSZACIVSA-N -1 3 388.555 3.085 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CCC1CC1 ZINC000469392120 566787158 /nfs/dbraw/zinc/78/71/58/566787158.db2.gz ZCCRYUQIVICPTI-SECBINFHSA-N -1 3 380.279 3.454 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000469387811 566787319 /nfs/dbraw/zinc/78/73/19/566787319.db2.gz DTVBWVSICMYPFJ-ZIAGYGMSSA-N -1 3 391.530 3.112 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)s1 ZINC000469387806 566787397 /nfs/dbraw/zinc/78/73/97/566787397.db2.gz DTSOZKQXGQXBFQ-AWEZNQCLSA-N -1 3 386.583 3.310 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N=c1[nH][n-]cc1Br ZINC000581564218 566787814 /nfs/dbraw/zinc/78/78/14/566787814.db2.gz CWRXTMUWHNSZGI-ZCFIWIBFSA-N -1 3 379.041 3.307 20 0 GGADHM CCCCC(=O)N1CSC[C@H]1C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000581556600 566788660 /nfs/dbraw/zinc/78/86/60/566788660.db2.gz LXXZQTUULFNBLV-JTQLQIEISA-N -1 3 379.404 3.286 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1Cl ZINC000562394008 566788569 /nfs/dbraw/zinc/78/85/69/566788569.db2.gz ZNMLKIWJSMDBBD-UHFFFAOYSA-N -1 3 387.816 3.086 20 0 GGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000469419194 566788602 /nfs/dbraw/zinc/78/86/02/566788602.db2.gz AHSFRQGFSMVSMV-RYUDHWBXSA-N -1 3 378.416 3.292 20 0 GGADHM CC(C)CCOc1ccccc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000655230112 566789341 /nfs/dbraw/zinc/78/93/41/566789341.db2.gz TVBAYAIAHYWMAS-UHFFFAOYSA-N -1 3 382.507 3.090 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cccc3c(Cl)ccnc32)s1 ZINC000451292543 566790378 /nfs/dbraw/zinc/79/03/78/566790378.db2.gz BPKWZUWTESOSAP-UHFFFAOYSA-N -1 3 382.898 3.342 20 0 GGADHM O=C(CC[C@@H]1CCOC1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000562441554 566792303 /nfs/dbraw/zinc/79/23/03/566792303.db2.gz SBYXFLXVKIZUCQ-SECBINFHSA-N -1 3 383.221 3.129 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@H]1C1CC1 ZINC000542315401 566792631 /nfs/dbraw/zinc/79/26/31/566792631.db2.gz FGVXGJBINHYABS-KBPBESRZSA-N -1 3 394.718 3.338 20 0 GGADHM CO[C@@H]1CCN(Cc2cc(Br)cc3cccnc32)[C@@H](C(=O)[O-])C1 ZINC000516939064 566792906 /nfs/dbraw/zinc/79/29/06/566792906.db2.gz KQYIBMOEUQVODL-HUUCEWRRSA-N -1 3 379.254 3.061 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000451308662 566793153 /nfs/dbraw/zinc/79/31/53/566793153.db2.gz PTGCAJQAPLDHSE-ZDUSSCGKSA-N -1 3 399.456 3.020 20 0 GGADHM COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(Br)c1OC ZINC000516933063 566793368 /nfs/dbraw/zinc/79/33/68/566793368.db2.gz ORPKQQQZBABJGL-ITDIGPHOSA-N -1 3 384.270 3.151 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542313868 566793445 /nfs/dbraw/zinc/79/34/45/566793445.db2.gz HCGMLUBBEHEMEK-LLVKDONJSA-N -1 3 389.290 3.226 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2Cl)s1 ZINC000609899130 566793703 /nfs/dbraw/zinc/79/37/03/566793703.db2.gz VVIVWHIVKRBRMV-MRVPVSSYSA-N -1 3 377.846 3.367 20 0 GGADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489545069 566795394 /nfs/dbraw/zinc/79/53/94/566795394.db2.gz UEZPKLZEQPZOCM-UHFFFAOYSA-N -1 3 387.395 3.191 20 0 GGADHM Cc1cc(F)cc(-n2cc(C(=O)Nc3cc(Br)ccc3[O-])nn2)c1 ZINC000562495420 566796458 /nfs/dbraw/zinc/79/64/58/566796458.db2.gz MPOANIUAPHIENP-UHFFFAOYSA-N -1 3 391.200 3.435 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cnccc2C)cc1Cl ZINC000678358044 566796721 /nfs/dbraw/zinc/79/67/21/566796721.db2.gz RYNIADAWPAKFKL-SNVBAGLBSA-N -1 3 385.848 3.180 20 0 GGADHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000678357197 566797102 /nfs/dbraw/zinc/79/71/02/566797102.db2.gz IIQVCSMFYQJMCF-VIFPVBQESA-N -1 3 391.237 3.470 20 0 GGADHM Cc1ncc(CNC(=O)c2cc3cc(Br)cc(C)c3o2)c(=O)[n-]1 ZINC000542388475 566797831 /nfs/dbraw/zinc/79/78/31/566797831.db2.gz KFKBAXYLVFLRLA-UHFFFAOYSA-N -1 3 376.210 3.238 20 0 GGADHM CCOCCCN(Cc1nc2cc(Br)ccc2[nH]1)C[C@@H](C)C(=O)[O-] ZINC000581672059 566798525 /nfs/dbraw/zinc/79/85/25/566798525.db2.gz SDRFAEIMTSOLHS-GFCCVEGCSA-N -1 3 398.301 3.275 20 0 GGADHM CCOCCCN(Cc1nc2ccc(Br)cc2[nH]1)C[C@@H](C)C(=O)[O-] ZINC000581672059 566798530 /nfs/dbraw/zinc/79/85/30/566798530.db2.gz SDRFAEIMTSOLHS-GFCCVEGCSA-N -1 3 398.301 3.275 20 0 GGADHM CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Cc1cncc([O-])c1 ZINC000655394408 566798677 /nfs/dbraw/zinc/79/86/77/566798677.db2.gz DULZTXSUOUKXGH-AWEZNQCLSA-N -1 3 375.266 3.456 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489633955 566799025 /nfs/dbraw/zinc/79/90/25/566799025.db2.gz CHEQNZWRPQUYKT-MNOVXSKESA-N -1 3 385.379 3.208 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000610005853 566799202 /nfs/dbraw/zinc/79/92/02/566799202.db2.gz HMHDEXQFAYJJKP-ZBFHGGJFSA-N -1 3 379.503 3.224 20 0 GGADHM Cc1ccncc1[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000678420630 566799447 /nfs/dbraw/zinc/79/94/47/566799447.db2.gz AGZQRHXHAMQLIS-LLVKDONJSA-N -1 3 386.249 3.485 20 0 GGADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCSCC1 ZINC000469572523 566799639 /nfs/dbraw/zinc/79/96/39/566799639.db2.gz KDJKRNJSQBDTAT-UHFFFAOYSA-N -1 3 387.686 3.133 20 0 GGADHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CCSCC1 ZINC000469572523 566799644 /nfs/dbraw/zinc/79/96/44/566799644.db2.gz KDJKRNJSQBDTAT-UHFFFAOYSA-N -1 3 387.686 3.133 20 0 GGADHM Cc1cc(C)c(NC(=O)CNC(=O)c2cccc([O-])c2)cc1Br ZINC000427802766 566800193 /nfs/dbraw/zinc/80/01/93/566800193.db2.gz AKMSTZWGXNGQPM-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM O=C(CCCCO)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000678472452 566800435 /nfs/dbraw/zinc/80/04/35/566800435.db2.gz RMRJIXQXHUWOEO-UHFFFAOYSA-N -1 3 382.869 3.242 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C[C@@H](C)n4ccnc43)s2)cs1 ZINC000562551278 566800765 /nfs/dbraw/zinc/80/07/65/566800765.db2.gz RERNBSMXVCIWJG-MWLCHTKSSA-N -1 3 380.520 3.361 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)COCc2ccccc2)c1 ZINC000489656339 566801217 /nfs/dbraw/zinc/80/12/17/566801217.db2.gz VNYDDTUOQCZNNF-AWEZNQCLSA-N -1 3 383.897 3.480 20 0 GGADHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000678448991 566801267 /nfs/dbraw/zinc/80/12/67/566801267.db2.gz GMGNLSYRDDTSDA-LRDDRELGSA-N -1 3 393.281 3.119 20 0 GGADHM COc1cccc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)c1F ZINC000655471515 566801629 /nfs/dbraw/zinc/80/16/29/566801629.db2.gz IBXHYQKEVYZFFA-SNVBAGLBSA-N -1 3 375.368 3.475 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c(OC)cc1Br ZINC000581723565 566802528 /nfs/dbraw/zinc/80/25/28/566802528.db2.gz IVRDBYIYOMSRPO-UWVGGRQHSA-N -1 3 396.278 3.025 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2OC)c1 ZINC000489675580 566802519 /nfs/dbraw/zinc/80/25/19/566802519.db2.gz DIDSVQKYGPHUQJ-UHFFFAOYSA-N -1 3 376.261 3.489 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c(OC)cc1Br ZINC000581723567 566802673 /nfs/dbraw/zinc/80/26/73/566802673.db2.gz IVRDBYIYOMSRPO-ZJUUUORDSA-N -1 3 396.278 3.025 20 0 GGADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489680540 566802640 /nfs/dbraw/zinc/80/26/40/566802640.db2.gz SMTBMILUQVLLDT-ZYHUDNBSSA-N -1 3 385.379 3.206 20 0 GGADHM O=S(=O)([N-]Cc1noc2ccccc21)c1cccc(Br)c1F ZINC000517053046 566802691 /nfs/dbraw/zinc/80/26/91/566802691.db2.gz YXMJIJNIOUPZPV-UHFFFAOYSA-N -1 3 385.214 3.208 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1ccc(Cl)cc1 ZINC000427869375 566802990 /nfs/dbraw/zinc/80/29/90/566802990.db2.gz WHJZAZQWSTXSJA-CXAGYDPISA-N -1 3 381.881 3.277 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C ZINC000542466582 566803197 /nfs/dbraw/zinc/80/31/97/566803197.db2.gz MUMJZVKHVVCIGY-QMMMGPOBSA-N -1 3 398.706 3.111 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000542467207 566803372 /nfs/dbraw/zinc/80/33/72/566803372.db2.gz SCOQOTXXTWSVLX-NEPJUHHUSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1cccnc1OCC(F)F ZINC000451360584 566803581 /nfs/dbraw/zinc/80/35/81/566803581.db2.gz NICCDUQOOIMTDL-UHFFFAOYSA-N -1 3 394.802 3.138 20 0 GGADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542464583 566803858 /nfs/dbraw/zinc/80/38/58/566803858.db2.gz KIIXRNHPPRGZDK-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000542467215 566803868 /nfs/dbraw/zinc/80/38/68/566803868.db2.gz SCOQOTXXTWSVLX-VXGBXAGGSA-N -1 3 382.707 3.338 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000581736743 566804009 /nfs/dbraw/zinc/80/40/09/566804009.db2.gz HDTWNVTUJALCSF-OLZOCXBDSA-N -1 3 391.320 3.205 20 0 GGADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C(C)(C)O1 ZINC000542468696 566804192 /nfs/dbraw/zinc/80/41/92/566804192.db2.gz NHRKZVFDPKWYJM-LLVKDONJSA-N -1 3 380.279 3.213 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000581736742 566804271 /nfs/dbraw/zinc/80/42/71/566804271.db2.gz HDTWNVTUJALCSF-CHWSQXEVSA-N -1 3 391.320 3.205 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)c1 ZINC000610087052 566804371 /nfs/dbraw/zinc/80/43/71/566804371.db2.gz MGYDGKIRYOPAEE-UHFFFAOYSA-N -1 3 385.894 3.198 20 0 GGADHM COCC[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469637792 566804596 /nfs/dbraw/zinc/80/45/96/566804596.db2.gz QBWBOXYPRQBEPV-MRVPVSSYSA-N -1 3 387.661 3.099 20 0 GGADHM COCC[C@@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469637792 566804601 /nfs/dbraw/zinc/80/46/01/566804601.db2.gz QBWBOXYPRQBEPV-MRVPVSSYSA-N -1 3 387.661 3.099 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)N2CCc3ccccc32)c1 ZINC000489710483 566805328 /nfs/dbraw/zinc/80/53/28/566805328.db2.gz DCXCCJQILOCWDM-ZDUSSCGKSA-N -1 3 380.897 3.078 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(C)C ZINC000542487133 566805673 /nfs/dbraw/zinc/80/56/73/566805673.db2.gz XMCKARAJCQYUOO-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM O=S(=O)(Cc1ccc(Br)c(F)c1)[N-]Cc1cnc(C2CC2)o1 ZINC000581767609 566805843 /nfs/dbraw/zinc/80/58/43/566805843.db2.gz YUKBJZNDKOMAAC-UHFFFAOYSA-N -1 3 389.246 3.073 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(c3ccccc3OC)CC2)c1 ZINC000489734581 566806629 /nfs/dbraw/zinc/80/66/29/566806629.db2.gz NVCKZYSYTJYLGN-UHFFFAOYSA-N -1 3 381.881 3.367 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000489743828 566806761 /nfs/dbraw/zinc/80/67/61/566806761.db2.gz UDSMMYCBWCJAJY-KRWDZBQOSA-N -1 3 382.913 3.238 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCN2c3ccccc3C[C@H]2C)c1 ZINC000489763429 566808196 /nfs/dbraw/zinc/80/81/96/566808196.db2.gz FTNTZRQGAAKGBQ-CYBMUJFWSA-N -1 3 380.897 3.078 20 0 GGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000451382896 566808608 /nfs/dbraw/zinc/80/86/08/566808608.db2.gz JCYXTZHDZGRZMI-JTQLQIEISA-N -1 3 381.445 3.472 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1c(C)cccc1C ZINC000451398483 566811173 /nfs/dbraw/zinc/81/11/73/566811173.db2.gz JNCOUCHNFGHUKC-OLZOCXBDSA-N -1 3 381.416 3.168 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)ccc1[O-] ZINC000428050516 566812784 /nfs/dbraw/zinc/81/27/84/566812784.db2.gz AHPPIIGARDBWQE-AWEZNQCLSA-N -1 3 391.265 3.172 20 0 GGADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1ccc(C(F)F)o1 ZINC000631658528 566813395 /nfs/dbraw/zinc/81/33/95/566813395.db2.gz HHKOMZDYAXPCGN-LLVKDONJSA-N -1 3 376.450 3.394 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1[O-] ZINC000428062070 566813551 /nfs/dbraw/zinc/81/35/51/566813551.db2.gz UXLXZNPOLUETIC-OAHLLOKOSA-N -1 3 375.266 3.472 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1cccc(OC(F)(F)F)c1F ZINC000489867901 566814687 /nfs/dbraw/zinc/81/46/87/566814687.db2.gz CVQYSQVJQPXGMO-HTQZYQBOSA-N -1 3 393.305 3.163 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(CNc2ccncn2)c1 ZINC000542652690 566816916 /nfs/dbraw/zinc/81/69/16/566816916.db2.gz XBSTYRIKDIBUSX-UHFFFAOYSA-N -1 3 399.248 3.231 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1ccc(Br)cc1Cl ZINC000562728130 566817461 /nfs/dbraw/zinc/81/74/61/566817461.db2.gz KJLYHKJSKLCEKK-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM COC(=O)C1CCC([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000610262773 566818416 /nfs/dbraw/zinc/81/84/16/566818416.db2.gz JXLRAFLZIXGRMP-UHFFFAOYSA-N -1 3 396.292 3.012 20 0 GGADHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C2CC2)c1 ZINC000562747027 566818397 /nfs/dbraw/zinc/81/83/97/566818397.db2.gz AWVOGBVRDJAJHJ-NSHDSACASA-N -1 3 398.937 3.435 20 0 GGADHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2cc(Cl)sc2Cl)on1 ZINC000562740245 566818804 /nfs/dbraw/zinc/81/88/04/566818804.db2.gz AQBHCOOUWNOVHM-SSDOTTSWSA-N -1 3 383.278 3.293 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CSc2ccc(Br)cc21 ZINC000581979000 566819807 /nfs/dbraw/zinc/81/98/07/566819807.db2.gz IAQQOXKBTWHUTL-NSHDSACASA-N -1 3 389.296 3.179 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc(Br)c2Cl)o1 ZINC000562754489 566820082 /nfs/dbraw/zinc/82/00/82/566820082.db2.gz JUGZICISYIBGRT-UHFFFAOYSA-N -1 3 378.631 3.351 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)N1CCc2sccc2C1 ZINC000631727994 566820446 /nfs/dbraw/zinc/82/04/46/566820446.db2.gz UUTJPTWASMMTEC-JTQLQIEISA-N -1 3 376.450 3.004 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1F ZINC000517344991 566821011 /nfs/dbraw/zinc/82/10/11/566821011.db2.gz RKPVAFQDFJRPJE-GHMZBOCLSA-N -1 3 382.379 3.041 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2ccc(CO)cc2)cc1Cl ZINC000678841602 566821064 /nfs/dbraw/zinc/82/10/64/566821064.db2.gz XKRLUTCVHZQLOB-UHFFFAOYSA-N -1 3 390.288 3.015 20 0 GGADHM COc1cccc([C@@H](CNC(=O)c2cccc(Br)c2[O-])N(C)C)c1 ZINC000517348492 566821129 /nfs/dbraw/zinc/82/11/29/566821129.db2.gz JYVXZESRWMEGFQ-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)ccc1F ZINC000517344993 566821147 /nfs/dbraw/zinc/82/11/47/566821147.db2.gz RKPVAFQDFJRPJE-QWRGUYRKSA-N -1 3 382.379 3.041 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1nc2c(s1)CCC2 ZINC000562783671 566821285 /nfs/dbraw/zinc/82/12/85/566821285.db2.gz DWMJPVSXRCJEMH-SECBINFHSA-N -1 3 387.324 3.434 20 0 GGADHM O=S(=O)([N-][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccs1 ZINC000581994156 566821790 /nfs/dbraw/zinc/82/17/90/566821790.db2.gz CQJUJCJTBIXJRA-OAHLLOKOSA-N -1 3 391.436 3.447 20 0 GGADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489996775 566821891 /nfs/dbraw/zinc/82/18/91/566821891.db2.gz XAIBKPZUZPKYCJ-CYBMUJFWSA-N -1 3 375.437 3.357 20 0 GGADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000489992806 566822036 /nfs/dbraw/zinc/82/20/36/566822036.db2.gz MWDFMSXDVGXNIO-SNVBAGLBSA-N -1 3 383.844 3.077 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccccc1Cl ZINC000451457887 566822588 /nfs/dbraw/zinc/82/25/88/566822588.db2.gz NUXRTPAWGIJTLR-BXKDBHETSA-N -1 3 387.807 3.205 20 0 GGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-][C@@H](C3CCCCC3)C(F)(F)F)cc2[nH]1 ZINC000542755760 566823336 /nfs/dbraw/zinc/82/33/36/566823336.db2.gz PMNDIJAFUWIXEQ-ZDUSSCGKSA-N -1 3 377.388 3.058 20 0 GGADHM O=S(=O)([N-]C1CCOCC1)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC000631774757 566823739 /nfs/dbraw/zinc/82/37/39/566823739.db2.gz FIWJIQPWJIPYIL-UHFFFAOYSA-N -1 3 392.424 3.286 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000542755493 566824220 /nfs/dbraw/zinc/82/42/20/566824220.db2.gz MIQKMKBORACMEP-AWEZNQCLSA-N -1 3 383.432 3.357 20 0 GGADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000610316767 566824145 /nfs/dbraw/zinc/82/41/45/566824145.db2.gz ZQOMIOZXFZRIBQ-JTQLQIEISA-N -1 3 376.931 3.035 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOCC1 ZINC000490011028 566824543 /nfs/dbraw/zinc/82/45/43/566824543.db2.gz JKNUCQVPGZGOQI-UHFFFAOYSA-N -1 3 389.926 3.276 20 0 GGADHM Cc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)c(C)c1 ZINC000655634631 566825397 /nfs/dbraw/zinc/82/53/97/566825397.db2.gz ZHOHSOYTHAEBSC-UHFFFAOYSA-N -1 3 390.839 3.474 20 0 GGADHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000451485285 566826428 /nfs/dbraw/zinc/82/64/28/566826428.db2.gz YIVKHQMEASHGBN-MRVPVSSYSA-N -1 3 375.334 3.488 20 0 GGADHM COc1ccc(-c2nc(Sc3nnc(C)c(C)n3)n[n-]2)cc1Br ZINC000428257530 566826576 /nfs/dbraw/zinc/82/65/76/566826576.db2.gz SXNAFUQFTNEULV-UHFFFAOYSA-N -1 3 393.270 3.196 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000542800136 566826749 /nfs/dbraw/zinc/82/67/49/566826749.db2.gz UFJUUVMNYMZEDL-UHFFFAOYSA-N -1 3 396.925 3.419 20 0 GGADHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000655652221 566826995 /nfs/dbraw/zinc/82/69/95/566826995.db2.gz BOLBNSNSSCRCHJ-SNVBAGLBSA-N -1 3 378.347 3.029 20 0 GGADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)Cc1ccccn1 ZINC000655652665 566827287 /nfs/dbraw/zinc/82/72/87/566827287.db2.gz GLWQNOVLCGSYMG-JTQLQIEISA-N -1 3 375.313 3.124 20 0 GGADHM Cc1cc(NC(=O)c2cnc3c(cnn3C)c2[O-])c(F)cc1Br ZINC000490049402 566827919 /nfs/dbraw/zinc/82/79/19/566827919.db2.gz VYNCVDBZZBIZAC-UHFFFAOYSA-N -1 3 379.189 3.136 20 0 GGADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000451502188 566828941 /nfs/dbraw/zinc/82/89/41/566828941.db2.gz PZVWQUNFEDGGRH-JOYOIKCWSA-N -1 3 388.263 3.382 20 0 GGADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428265896 566829379 /nfs/dbraw/zinc/82/93/79/566829379.db2.gz QQADAPGDYURHQF-ZANVPECISA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1(CO)CCC1 ZINC000490079525 566829475 /nfs/dbraw/zinc/82/94/75/566829475.db2.gz KJAFJJSDGRANOA-AWEZNQCLSA-N -1 3 383.407 3.310 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000451515340 566830351 /nfs/dbraw/zinc/83/03/51/566830351.db2.gz WGORYBQZTRAWLM-MFKMUULPSA-N -1 3 399.456 3.273 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1(CO)CCC1 ZINC000490088705 566830387 /nfs/dbraw/zinc/83/03/87/566830387.db2.gz ITDMZKUWMSHWNL-CQSZACIVSA-N -1 3 394.306 3.054 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1(CO)CCC1 ZINC000490098866 566831068 /nfs/dbraw/zinc/83/10/68/566831068.db2.gz DFUVJVMOWKPWDP-CQSZACIVSA-N -1 3 394.306 3.054 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCCO1 ZINC000679012473 566831130 /nfs/dbraw/zinc/83/11/30/566831130.db2.gz SJEKOCXQRHPUCS-TVQRCGJNSA-N -1 3 382.707 3.338 20 0 GGADHM CSc1ncc(Cl)c(C(=O)[N-]c2ccccc2SCCC(N)=O)n1 ZINC000517566826 566832899 /nfs/dbraw/zinc/83/28/99/566832899.db2.gz RILVSWXPSNJBMS-UHFFFAOYSA-N -1 3 382.898 3.072 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCN4CCCC[C@H]34)s2)cs1 ZINC000655668576 566833278 /nfs/dbraw/zinc/83/32/78/566833278.db2.gz HABNNJAUPXTILJ-UKRRQHHQSA-N -1 3 397.591 3.475 20 0 GGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428371351 566833747 /nfs/dbraw/zinc/83/37/47/566833747.db2.gz WBBIUFLGBLISGE-STQMWFEESA-N -1 3 382.707 3.338 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)s1 ZINC000517599617 566833695 /nfs/dbraw/zinc/83/36/95/566833695.db2.gz DMFQWWBWBVNJSQ-UHFFFAOYSA-N -1 3 383.516 3.138 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1Cl ZINC000655669227 566833788 /nfs/dbraw/zinc/83/37/88/566833788.db2.gz NAEZECZUVFZITA-VXGBXAGGSA-N -1 3 393.336 3.297 20 0 GGADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428371350 566834241 /nfs/dbraw/zinc/83/42/41/566834241.db2.gz WBBIUFLGBLISGE-QWHCGFSZSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)c(Cl)c1Cl ZINC000655669225 566834559 /nfs/dbraw/zinc/83/45/59/566834559.db2.gz NAEZECZUVFZITA-NWDGAFQWSA-N -1 3 393.336 3.297 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCN4CCCC[C@@H]34)s2)cs1 ZINC000655668577 566834729 /nfs/dbraw/zinc/83/47/29/566834729.db2.gz HABNNJAUPXTILJ-ZFWWWQNUSA-N -1 3 397.591 3.475 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1C(F)(F)F ZINC000655669796 566834885 /nfs/dbraw/zinc/83/48/85/566834885.db2.gz RQSTVUICKMMMEN-KGLIPLIRSA-N -1 3 380.407 3.140 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000428394388 566837436 /nfs/dbraw/zinc/83/74/36/566837436.db2.gz UPTYEAGUXPZKAI-GDBMZVCRSA-N -1 3 388.555 3.038 20 0 GGADHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1OC ZINC000631968253 566838103 /nfs/dbraw/zinc/83/81/03/566838103.db2.gz BZFXGIOPZIQFGB-QMMMGPOBSA-N -1 3 379.356 3.413 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@H](C)C2)cc1 ZINC000428394389 566838292 /nfs/dbraw/zinc/83/82/92/566838292.db2.gz UPTYEAGUXPZKAI-GOEBONIOSA-N -1 3 388.555 3.038 20 0 GGADHM O=C(N=c1cc(-c2ccc(I)cc2)[n-][nH]1)c1ccsc1 ZINC000517646327 566838280 /nfs/dbraw/zinc/83/82/80/566838280.db2.gz WICVXXHVMDGRCR-UHFFFAOYSA-N -1 3 395.225 3.417 20 0 GGADHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cscc2Br)cn1 ZINC000631953366 566838656 /nfs/dbraw/zinc/83/86/56/566838656.db2.gz IOZVJNXXACIRHP-VIFPVBQESA-N -1 3 378.317 3.328 20 0 GGADHM O=S(=O)(C[C@H]1CCC(F)(F)C1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000631975498 566838758 /nfs/dbraw/zinc/83/87/58/566838758.db2.gz KRKGZDHHAOHMGN-JTQLQIEISA-N -1 3 391.827 3.245 20 0 GGADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(F)ccc3Br)cn2c1 ZINC000582188459 566838675 /nfs/dbraw/zinc/83/86/75/566838675.db2.gz ILFBNLDPXCXHBA-UHFFFAOYSA-N -1 3 398.257 3.023 20 0 GGADHM O=C(NC1(Cc2ccccc2Br)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582190745 566838855 /nfs/dbraw/zinc/83/88/55/566838855.db2.gz CIKQHNBTSVEIAU-UHFFFAOYSA-N -1 3 388.265 3.327 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1ccc(Cl)c(Br)c1 ZINC000428398547 566839395 /nfs/dbraw/zinc/83/93/95/566839395.db2.gz LNLMDIXFPCSLQZ-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(F)c1 ZINC000679204341 566840685 /nfs/dbraw/zinc/84/06/85/566840685.db2.gz FAQYLIWIKFTMPK-UHFFFAOYSA-N -1 3 378.212 3.287 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000451570268 566840811 /nfs/dbraw/zinc/84/08/11/566840811.db2.gz SWFSGRSGWUYECQ-QWRGUYRKSA-N -1 3 395.390 3.006 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000451570269 566841057 /nfs/dbraw/zinc/84/10/57/566841057.db2.gz SWFSGRSGWUYECQ-WDEREUQCSA-N -1 3 395.390 3.006 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000451570266 566841143 /nfs/dbraw/zinc/84/11/43/566841143.db2.gz SWFSGRSGWUYECQ-GHMZBOCLSA-N -1 3 395.390 3.006 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)sc1Cl ZINC000428409471 566841329 /nfs/dbraw/zinc/84/13/29/566841329.db2.gz VSQXXKOYHCTGHE-BBRMVZONSA-N -1 3 389.901 3.294 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO[C@@H]1C1CC1 ZINC000428414528 566841611 /nfs/dbraw/zinc/84/16/11/566841611.db2.gz VBCHAGCXGZNSSC-ZIAGYGMSSA-N -1 3 394.718 3.338 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(C(C)C)cc2)nc1C ZINC000610549739 566841651 /nfs/dbraw/zinc/84/16/51/566841651.db2.gz KNMGZBOQDBSBAG-UHFFFAOYSA-N -1 3 382.507 3.230 20 0 GGADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000610550238 566841687 /nfs/dbraw/zinc/84/16/87/566841687.db2.gz HSUSGDNIQKFAQX-NJZAAPMLSA-N -1 3 390.596 3.288 20 0 GGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000428410901 566841713 /nfs/dbraw/zinc/84/17/13/566841713.db2.gz GTCJTPGVGCOTIM-ZDUSSCGKSA-N -1 3 375.918 3.470 20 0 GGADHM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1=O ZINC000490318239 566841758 /nfs/dbraw/zinc/84/17/58/566841758.db2.gz DEVWXQXHHIQNDT-UHFFFAOYSA-N -1 3 397.283 3.324 20 0 GGADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000610550237 566841888 /nfs/dbraw/zinc/84/18/88/566841888.db2.gz HSUSGDNIQKFAQX-CORIIIEPSA-N -1 3 390.596 3.288 20 0 GGADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cscc1Br ZINC000632022585 566841955 /nfs/dbraw/zinc/84/19/55/566841955.db2.gz NRMCPXAAVYHYKD-CYBMUJFWSA-N -1 3 390.324 3.303 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000451573117 566841933 /nfs/dbraw/zinc/84/19/33/566841933.db2.gz YJIGFSFZDORHPH-CYBMUJFWSA-N -1 3 395.424 3.205 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C)nc1C ZINC000610549952 566842334 /nfs/dbraw/zinc/84/23/34/566842334.db2.gz XNMKREONGFNRAI-UHFFFAOYSA-N -1 3 388.898 3.069 20 0 GGADHM Cc1noc(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc2)n1 ZINC000428426010 566843557 /nfs/dbraw/zinc/84/35/57/566843557.db2.gz WRKVXAHWFLZCGU-GFCCVEGCSA-N -1 3 383.882 3.355 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1OC)c1nc(C(F)(F)F)cs1 ZINC000632055669 566844683 /nfs/dbraw/zinc/84/46/83/566844683.db2.gz DCZXZAVSHCNVLQ-OUAUKWLOSA-N -1 3 386.461 3.490 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)cs2)c(Cl)c1OC ZINC000451582025 566845105 /nfs/dbraw/zinc/84/51/05/566845105.db2.gz KZUWLQANEQSKHW-UHFFFAOYSA-N -1 3 375.899 3.248 20 0 GGADHM Cc1cc(O[C@H](C)C(=O)N=c2[n-]n(C)cc2Br)ccc1C(C)C ZINC000517745941 566845325 /nfs/dbraw/zinc/84/53/25/566845325.db2.gz ODVKPLFDNLRCFP-GFCCVEGCSA-N -1 3 380.286 3.442 20 0 GGADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)c1ccccc1C ZINC000451581124 566845609 /nfs/dbraw/zinc/84/56/09/566845609.db2.gz JGQFAVJCZFGQCP-ZDUSSCGKSA-N -1 3 381.416 3.034 20 0 GGADHM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000610591184 566845861 /nfs/dbraw/zinc/84/58/61/566845861.db2.gz JSSYUWVCHDBWKP-FQEVSTJZSA-N -1 3 384.331 3.271 20 0 GGADHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000632069142 566846286 /nfs/dbraw/zinc/84/62/86/566846286.db2.gz NUYDMFRZKHIQKM-RKDXNWHRSA-N -1 3 393.353 3.086 20 0 GGADHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000632069141 566846462 /nfs/dbraw/zinc/84/64/62/566846462.db2.gz NUYDMFRZKHIQKM-IUCAKERBSA-N -1 3 393.353 3.086 20 0 GGADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccs1 ZINC000517784038 566847706 /nfs/dbraw/zinc/84/77/06/566847706.db2.gz HJOIECQYCZJPCW-CQSZACIVSA-N -1 3 379.425 3.204 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cscc2Br)cs1 ZINC000632083369 566848019 /nfs/dbraw/zinc/84/80/19/566848019.db2.gz OXCFFPUMUGGRDE-ZETCQYMHSA-N -1 3 397.341 3.153 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CCOCC1 ZINC000543071112 566848844 /nfs/dbraw/zinc/84/88/44/566848844.db2.gz UUOVVISFQRWKBU-LBPRGKRZSA-N -1 3 380.279 3.072 20 0 GGADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CN1C1CC1 ZINC000543067529 566849334 /nfs/dbraw/zinc/84/93/34/566849334.db2.gz QXSPIQRZXVAFKY-ONGXEEELSA-N -1 3 393.734 3.006 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(C2CCSCC2)no1 ZINC000582294759 566849651 /nfs/dbraw/zinc/84/96/51/566849651.db2.gz GQBATWTWJPHACZ-JTQLQIEISA-N -1 3 387.914 3.373 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H]1CSc2ccccc21 ZINC000451609942 566850143 /nfs/dbraw/zinc/85/01/43/566850143.db2.gz DXNVHTJKSGEFGM-LLVKDONJSA-N -1 3 383.516 3.011 20 0 GGADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]CCC(C)(F)F)cc1Cl ZINC000451615200 566850326 /nfs/dbraw/zinc/85/03/26/566850326.db2.gz UZXCKRVTVWPSPJ-UHFFFAOYSA-N -1 3 392.251 3.342 20 0 GGADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)Cc1ccsc1 ZINC000610652919 566850350 /nfs/dbraw/zinc/85/03/50/566850350.db2.gz BLWYEMPJNVJFJQ-UHFFFAOYSA-N -1 3 378.475 3.071 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000451611422 566850520 /nfs/dbraw/zinc/85/05/20/566850520.db2.gz WJFAKFHUCUHECY-UHFFFAOYSA-N -1 3 385.860 3.469 20 0 GGADHM O=S(=O)(C[C@@H]1CCC(F)(F)C1)NCc1ccc([O-])c(Br)c1 ZINC000632115330 566851315 /nfs/dbraw/zinc/85/13/15/566851315.db2.gz ORVIVILLQVNKIQ-SNVBAGLBSA-N -1 3 384.242 3.010 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)c1ccon1 ZINC000563062699 566851456 /nfs/dbraw/zinc/85/14/56/566851456.db2.gz GJVNKYQEZVUGPE-MRVPVSSYSA-N -1 3 379.663 3.271 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cscc2Br)sc1C ZINC000632107435 566851745 /nfs/dbraw/zinc/85/17/45/566851745.db2.gz XNHGRUVLUHMJCM-UHFFFAOYSA-N -1 3 381.342 3.105 20 0 GGADHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451621510 566852128 /nfs/dbraw/zinc/85/21/28/566852128.db2.gz BVMMBIRSPNUCRB-CYBMUJFWSA-N -1 3 375.918 3.206 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]2CCC[C@@H]21 ZINC000428535958 566852500 /nfs/dbraw/zinc/85/25/00/566852500.db2.gz ICMBAGXMABCYAI-RISCZKNCSA-N -1 3 391.320 3.063 20 0 GGADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cscc1Br ZINC000632135131 566853051 /nfs/dbraw/zinc/85/30/51/566853051.db2.gz YCPSWHQHUFTXNO-SSDOTTSWSA-N -1 3 379.301 3.197 20 0 GGADHM CC(C)OCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000543112475 566852976 /nfs/dbraw/zinc/85/29/76/566852976.db2.gz YCADCOBTWDMAIQ-UHFFFAOYSA-N -1 3 381.270 3.226 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1csnc1-c1ccccc1 ZINC000632122160 566853312 /nfs/dbraw/zinc/85/33/12/566853312.db2.gz NCTPVPLFMMUNRS-WMLDXEAASA-N -1 3 396.559 3.143 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@@H](O)Cc1cccc(F)c1 ZINC000451634620 566854138 /nfs/dbraw/zinc/85/41/38/566854138.db2.gz SATPMZMPJUUMPI-ZDUSSCGKSA-N -1 3 392.279 3.156 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2=CCCCC2)cc1 ZINC000451641339 566854334 /nfs/dbraw/zinc/85/43/34/566854334.db2.gz UAVIAXSNJBWMSU-UHFFFAOYSA-N -1 3 386.539 3.007 20 0 GGADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)s1 ZINC000490456397 566854283 /nfs/dbraw/zinc/85/42/83/566854283.db2.gz ZRWQVKDGHSKXEZ-UHFFFAOYSA-N -1 3 394.547 3.306 20 0 GGADHM CCCc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])s1 ZINC000632138854 566854232 /nfs/dbraw/zinc/85/42/32/566854232.db2.gz GSMKPVXLOWATFN-UHFFFAOYSA-N -1 3 380.491 3.198 20 0 GGADHM FC1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCOCC1 ZINC000632135793 566854387 /nfs/dbraw/zinc/85/43/87/566854387.db2.gz FSLBGVDKQVWJMB-UHFFFAOYSA-N -1 3 394.204 3.259 20 0 GGADHM FC1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCOCC1 ZINC000632135793 566854396 /nfs/dbraw/zinc/85/43/96/566854396.db2.gz FSLBGVDKQVWJMB-UHFFFAOYSA-N -1 3 394.204 3.259 20 0 GGADHM FC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCOCC1 ZINC000632135793 566854405 /nfs/dbraw/zinc/85/44/05/566854405.db2.gz FSLBGVDKQVWJMB-UHFFFAOYSA-N -1 3 394.204 3.259 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCC[C@H](C)C2)cc1Cl ZINC000517963526 566856245 /nfs/dbraw/zinc/85/62/45/566856245.db2.gz IWBDEJZHILEUCD-NSHDSACASA-N -1 3 381.325 3.012 20 0 GGADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000451652404 566857395 /nfs/dbraw/zinc/85/73/95/566857395.db2.gz YTLCUFPABULMDU-SSDOTTSWSA-N -1 3 385.351 3.403 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)Cc2cccc(C)c2)sc1Br ZINC000451664016 566858901 /nfs/dbraw/zinc/85/89/01/566858901.db2.gz NUMYCWICSKUXLH-UHFFFAOYSA-N -1 3 375.313 3.142 20 0 GGADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000490508462 566859191 /nfs/dbraw/zinc/85/91/91/566859191.db2.gz DESRUPHWQUCQPF-UHFFFAOYSA-N -1 3 391.262 3.316 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2)c1nc(C)cs1 ZINC000582409352 566859422 /nfs/dbraw/zinc/85/94/22/566859422.db2.gz WWJOWIIRWCREOE-QGZVFWFLSA-N -1 3 380.491 3.020 20 0 GGADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000543169537 566859515 /nfs/dbraw/zinc/85/95/15/566859515.db2.gz RBBPPCRABXJUFJ-JTQLQIEISA-N -1 3 394.312 3.030 20 0 GGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2)c1nc(C)cs1 ZINC000582409351 566859686 /nfs/dbraw/zinc/85/96/86/566859686.db2.gz WWJOWIIRWCREOE-KRWDZBQOSA-N -1 3 380.491 3.020 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)sc1Br ZINC000451673705 566860667 /nfs/dbraw/zinc/86/06/67/566860667.db2.gz VHVBIQQYYSEJQO-UHFFFAOYSA-N -1 3 389.340 3.470 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccn1 ZINC000451672000 566860726 /nfs/dbraw/zinc/86/07/26/566860726.db2.gz NWXZGEZHVDHKHW-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccn1 ZINC000451673953 566860831 /nfs/dbraw/zinc/86/08/31/566860831.db2.gz VUFIRRWZXABCFW-UHFFFAOYSA-N -1 3 387.274 3.239 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)ccc1F ZINC000582437021 566861616 /nfs/dbraw/zinc/86/16/16/566861616.db2.gz VEXMFLVRJNBZQF-STQMWFEESA-N -1 3 382.844 3.129 20 0 GGADHM Brc1cccc(-c2nnc(-c3noc(Cc4cncs4)n3)[n-]2)c1 ZINC000582446913 566863131 /nfs/dbraw/zinc/86/31/31/566863131.db2.gz LKVOXUXAULXKKW-UHFFFAOYSA-N -1 3 389.238 3.332 20 0 GGADHM Brc1cccc(-c2n[n-]c(-c3noc(Cc4cncs4)n3)n2)c1 ZINC000582446913 566863138 /nfs/dbraw/zinc/86/31/38/566863138.db2.gz LKVOXUXAULXKKW-UHFFFAOYSA-N -1 3 389.238 3.332 20 0 GGADHM Brc1cccc(-c2nc(-c3noc(Cc4cncs4)n3)n[n-]2)c1 ZINC000582446913 566863144 /nfs/dbraw/zinc/86/31/44/566863144.db2.gz LKVOXUXAULXKKW-UHFFFAOYSA-N -1 3 389.238 3.332 20 0 GGADHM CCC(CC)N(CC)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000563191288 566863452 /nfs/dbraw/zinc/86/34/52/566863452.db2.gz AWMXWKPIXXSMQL-UHFFFAOYSA-N -1 3 380.432 3.021 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)[C@@H]1OCCc2sccc21 ZINC000490553935 566864294 /nfs/dbraw/zinc/86/42/94/566864294.db2.gz DISUQAKKURHOBN-HWPZZCPQSA-N -1 3 387.910 3.391 20 0 GGADHM CCC(CC)(C[N-]S(=O)(=O)Cc1cc(OC)ccc1Br)OC ZINC000490552296 566864323 /nfs/dbraw/zinc/86/43/23/566864323.db2.gz UPMJLBLYHWJIEZ-UHFFFAOYSA-N -1 3 394.331 3.082 20 0 GGADHM CCCN1C[C@@H](C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1=O ZINC000582480106 566864520 /nfs/dbraw/zinc/86/45/20/566864520.db2.gz JKCSJHWRQRBGQT-LLVKDONJSA-N -1 3 386.926 3.092 20 0 GGADHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc2cccnc12 ZINC000543236208 566864622 /nfs/dbraw/zinc/86/46/22/566864622.db2.gz BCXXZIBMPBMOPB-UHFFFAOYSA-N -1 3 395.937 3.326 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1cccc(Br)c1F ZINC000543226212 566865039 /nfs/dbraw/zinc/86/50/39/566865039.db2.gz MRPBWVJHSLHLJU-UHFFFAOYSA-N -1 3 388.258 3.205 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)[C@H]1OCCc2sccc21 ZINC000490553940 566864919 /nfs/dbraw/zinc/86/49/19/566864919.db2.gz DISUQAKKURHOBN-QLJPJBMISA-N -1 3 387.910 3.391 20 0 GGADHM CCCN1C[C@H](C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1=O ZINC000582480107 566865093 /nfs/dbraw/zinc/86/50/93/566865093.db2.gz JKCSJHWRQRBGQT-NSHDSACASA-N -1 3 386.926 3.092 20 0 GGADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543246075 566865972 /nfs/dbraw/zinc/86/59/72/566865972.db2.gz IURMVKUEVZACDK-ONGXEEELSA-N -1 3 382.707 3.338 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C12CCC(CC1)C2 ZINC000543264806 566867626 /nfs/dbraw/zinc/86/76/26/566867626.db2.gz YWPKFLYWRQUYPM-UHFFFAOYSA-N -1 3 376.400 3.046 20 0 GGADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000451723112 566868357 /nfs/dbraw/zinc/86/83/57/566868357.db2.gz XQIVHUQQIHGWSZ-CYBMUJFWSA-N -1 3 375.918 3.348 20 0 GGADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000451720328 566868675 /nfs/dbraw/zinc/86/86/75/566868675.db2.gz LWZUGIBTYAYPBO-CYBMUJFWSA-N -1 3 375.918 3.348 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)cc2Br)C[C@H](C)O1 ZINC000582499342 566868828 /nfs/dbraw/zinc/86/88/28/566868828.db2.gz RBZSTYWTFLVDHT-ZSBIGDGJSA-N -1 3 394.306 3.460 20 0 GGADHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)c2ccc(Br)cc2n1 ZINC000543315330 566870178 /nfs/dbraw/zinc/87/01/78/566870178.db2.gz ICMKPEMBGURMCF-UHFFFAOYSA-N -1 3 387.237 3.040 20 0 GGADHM CN(C)C(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000518200266 566870377 /nfs/dbraw/zinc/87/03/77/566870377.db2.gz IKYDYDKJOCRPDF-UHFFFAOYSA-N -1 3 385.848 3.051 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCSC1 ZINC000582522236 566870650 /nfs/dbraw/zinc/87/06/50/566870650.db2.gz ZIWFJNOHCBTOLH-VIFPVBQESA-N -1 3 382.429 3.159 20 0 GGADHM Cc1ncc(CNC(=O)CCSc2ccccc2Br)c(=O)[n-]1 ZINC000543311585 566870844 /nfs/dbraw/zinc/87/08/44/566870844.db2.gz MVPWUXZVPVOQOB-UHFFFAOYSA-N -1 3 382.283 3.052 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cncc(Cl)c1 ZINC000451729126 566870864 /nfs/dbraw/zinc/87/08/64/566870864.db2.gz JGONMXINTBAZDX-AWEZNQCLSA-N -1 3 394.802 3.156 20 0 GGADHM O=S(=O)([N-][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000451727882 566870964 /nfs/dbraw/zinc/87/09/64/566870964.db2.gz CLTFANLTBQPQPH-AWEZNQCLSA-N -1 3 377.359 3.247 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)Cc1cccc(Br)c1)c1ccc(C)o1 ZINC000518233975 566871707 /nfs/dbraw/zinc/87/17/07/566871707.db2.gz LJWUGXVDBDHUKT-AWEZNQCLSA-N -1 3 388.283 3.158 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(Cl)c(OCC)c(OC)c2)s1 ZINC000610872131 566872789 /nfs/dbraw/zinc/87/27/89/566872789.db2.gz ZATUFLOOUZKWQB-UHFFFAOYSA-N -1 3 385.829 3.028 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CCO)c2cccc(C(F)(F)F)c2)s1 ZINC000451731960 566873029 /nfs/dbraw/zinc/87/30/29/566873029.db2.gz SDMRZSADVXAOLI-CYBMUJFWSA-N -1 3 394.440 3.181 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C1CCC(CSC)CC1 ZINC000451745948 566873993 /nfs/dbraw/zinc/87/39/93/566873993.db2.gz WQMWHYNZGCHCLI-UHFFFAOYSA-N -1 3 391.530 3.051 20 0 GGADHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000632330538 566875803 /nfs/dbraw/zinc/87/58/03/566875803.db2.gz RFWDOEFBVMUSIW-NEPJUHHUSA-N -1 3 392.424 3.482 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000543395203 566876901 /nfs/dbraw/zinc/87/69/01/566876901.db2.gz SNYLRZHVYWOEGR-GXFFZTMASA-N -1 3 394.306 3.460 20 0 GGADHM COC1CCC(CC[N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000543392870 566877066 /nfs/dbraw/zinc/87/70/66/566877066.db2.gz FSOXHNBNQWWHAS-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000543393876 566877574 /nfs/dbraw/zinc/87/75/74/566877574.db2.gz KLJKVHGUCAYVRM-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1conc1C ZINC000632397774 566881655 /nfs/dbraw/zinc/88/16/55/566881655.db2.gz LQZQYAVJHWSQCX-UHFFFAOYSA-N -1 3 389.271 3.013 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1 ZINC000470550020 566881952 /nfs/dbraw/zinc/88/19/52/566881952.db2.gz SWAQDKQOYWADAY-CQSZACIVSA-N -1 3 387.885 3.259 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]Cc1cc(C)cs1 ZINC000451806555 566883496 /nfs/dbraw/zinc/88/34/96/566883496.db2.gz XEYLXDHZWOJPGR-UHFFFAOYSA-N -1 3 388.898 3.155 20 0 GGADHM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000451798884 566883510 /nfs/dbraw/zinc/88/35/10/566883510.db2.gz DMRNQJJGEYHYOA-UHFFFAOYSA-N -1 3 388.198 3.224 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000611024911 566883688 /nfs/dbraw/zinc/88/36/88/566883688.db2.gz QJMAXVOCFHCCME-WMZOPIPTSA-N -1 3 379.865 3.135 20 0 GGADHM CCOC(=O)c1c([N-]C(=O)c2ncncc2Cl)sc2c1CCSC2 ZINC000428851715 566884105 /nfs/dbraw/zinc/88/41/05/566884105.db2.gz RQSNHSCSPLISFF-UHFFFAOYSA-N -1 3 383.882 3.410 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1ccccn1 ZINC000611017028 566884451 /nfs/dbraw/zinc/88/44/51/566884451.db2.gz DFOBKKXQSCCRKD-HNNXBMFYSA-N -1 3 382.869 3.341 20 0 GGADHM CCN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H](C)Cc1ccsc1 ZINC000428847515 566885186 /nfs/dbraw/zinc/88/51/86/566885186.db2.gz GDHPBESLSMUQJC-GFCCVEGCSA-N -1 3 384.498 3.352 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(Br)c1 ZINC000582699297 566885339 /nfs/dbraw/zinc/88/53/39/566885339.db2.gz JVXRBCCIABWCPJ-UHFFFAOYSA-N -1 3 388.214 3.176 20 0 GGADHM Cc1cc(Br)cc(Cl)c1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490941149 566885786 /nfs/dbraw/zinc/88/57/86/566885786.db2.gz IJGZZZDIRGLPKK-UHFFFAOYSA-N -1 3 394.603 3.420 20 0 GGADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490932980 566886300 /nfs/dbraw/zinc/88/63/00/566886300.db2.gz CTWIUFYCNFABQG-ZETCQYMHSA-N -1 3 380.178 3.156 20 0 GGADHM O=C(Nc1ccc(Br)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000680026280 566886645 /nfs/dbraw/zinc/88/66/45/566886645.db2.gz ZJYRJQCSDWZGPX-UHFFFAOYSA-N -1 3 383.633 3.188 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1ccccn1 ZINC000611079240 566887201 /nfs/dbraw/zinc/88/72/01/566887201.db2.gz UOSDJRRMUFRQFC-HNNXBMFYSA-N -1 3 382.869 3.341 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000611080035 566887497 /nfs/dbraw/zinc/88/74/97/566887497.db2.gz AORBWVPMZZRXMM-AEFFLSMTSA-N -1 3 379.865 3.135 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cccc(OC(F)(F)F)c1F ZINC000451821660 566887528 /nfs/dbraw/zinc/88/75/28/566887528.db2.gz HNYACZFRGVXMSA-QMMMGPOBSA-N -1 3 377.306 3.438 20 0 GGADHM CC[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1c(C)noc1C ZINC000470602626 566887747 /nfs/dbraw/zinc/88/77/47/566887747.db2.gz PWGXVWLIZJTOSG-ZDUSSCGKSA-N -1 3 387.299 3.354 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000632479149 566887886 /nfs/dbraw/zinc/88/78/86/566887886.db2.gz AJYVCUVRRLJFMO-ZETCQYMHSA-N -1 3 385.314 3.207 20 0 GGADHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1OC(F)F ZINC000490956941 566887890 /nfs/dbraw/zinc/88/78/90/566887890.db2.gz UZAYARQWAZOKGF-WDEREUQCSA-N -1 3 376.190 3.492 20 0 GGADHM Cc1ccc(CCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(Br)c1 ZINC000490998627 566888169 /nfs/dbraw/zinc/88/81/69/566888169.db2.gz DNUWHPHQUJZGGN-UHFFFAOYSA-N -1 3 388.212 3.086 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(N)=O ZINC000470614927 566888515 /nfs/dbraw/zinc/88/85/15/566888515.db2.gz XSNKMHJABYHTIU-OCCSQVGLSA-N -1 3 384.885 3.107 20 0 GGADHM Cn1[n-]c(=NC(=O)c2ccc(Br)c(Cl)c2)cc1OC(F)F ZINC000490967770 566888644 /nfs/dbraw/zinc/88/86/44/566888644.db2.gz KEJFHWAHDXAYGJ-UHFFFAOYSA-N -1 3 380.576 3.112 20 0 GGADHM Cn1[n-]c(=NC(=O)c2csc(-c3ccccc3Cl)n2)cc1OC(F)F ZINC000490977286 566888730 /nfs/dbraw/zinc/88/87/30/566888730.db2.gz XFQAGGAKZCCQEY-UHFFFAOYSA-N -1 3 384.795 3.473 20 0 GGADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)n1 ZINC000632465394 566888759 /nfs/dbraw/zinc/88/87/59/566888759.db2.gz CNUXVZHUTVKKGE-SECBINFHSA-N -1 3 390.914 3.416 20 0 GGADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc2n(n1)CCCO2 ZINC000470619731 566888946 /nfs/dbraw/zinc/88/89/46/566888946.db2.gz OQHXYFHKAMZIGF-UHFFFAOYSA-N -1 3 379.804 3.229 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCOC[C@@H]1CCOC1 ZINC000470621403 566888964 /nfs/dbraw/zinc/88/89/64/566888964.db2.gz IILUQZUVDOUFKQ-ZDUSSCGKSA-N -1 3 387.885 3.116 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451828710 566888987 /nfs/dbraw/zinc/88/89/87/566888987.db2.gz WYEKDVJFNQUDRF-GFCCVEGCSA-N -1 3 397.871 3.469 20 0 GGADHM COCCOCCCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470615041 566889127 /nfs/dbraw/zinc/88/91/27/566889127.db2.gz XWYIPAZJNGEKFQ-UHFFFAOYSA-N -1 3 375.874 3.116 20 0 GGADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494303 566889435 /nfs/dbraw/zinc/88/94/35/566889435.db2.gz RNWDYHXSIJUMTH-JGVFFNPUSA-N -1 3 393.332 3.182 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)s1 ZINC000611104648 566889654 /nfs/dbraw/zinc/88/96/54/566889654.db2.gz AHQULHIPBWNVEH-HNNXBMFYSA-N -1 3 382.507 3.121 20 0 GGADHM C[C@H](C(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc(Br)s1 ZINC000491004896 566889832 /nfs/dbraw/zinc/88/98/32/566889832.db2.gz UFXMCOUWNVUVHM-LURJTMIESA-N -1 3 380.214 3.010 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]C[C@@](C)(OC)c1ccccc1 ZINC000451823746 566889831 /nfs/dbraw/zinc/88/98/31/566889831.db2.gz KNYLRELORALUFG-GOSISDBHSA-N -1 3 383.897 3.330 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000632480389 566890426 /nfs/dbraw/zinc/89/04/26/566890426.db2.gz RKGXVLQAPVNMER-LURJTMIESA-N -1 3 389.277 3.147 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000563521594 566890524 /nfs/dbraw/zinc/89/05/24/566890524.db2.gz NWVCGWTVYJGTQE-VDDIYKPWSA-N -1 3 378.263 3.064 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(C)o1 ZINC000611108746 566891190 /nfs/dbraw/zinc/89/11/90/566891190.db2.gz LBWQRUFWLXKWJH-JOYOIKCWSA-N -1 3 387.816 3.002 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1OC ZINC000518575458 566891204 /nfs/dbraw/zinc/89/12/04/566891204.db2.gz XDGNJIYIFJECCV-UHFFFAOYSA-N -1 3 387.816 3.216 20 0 GGADHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C2 ZINC000680097607 566891441 /nfs/dbraw/zinc/89/14/41/566891441.db2.gz LLGSHMVTKCYHLC-AWEZNQCLSA-N -1 3 381.881 3.193 20 0 GGADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000518574168 566891893 /nfs/dbraw/zinc/89/18/93/566891893.db2.gz RHAPVNVUBNGTEF-CQSZACIVSA-N -1 3 375.266 3.159 20 0 GGADHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000451839115 566892721 /nfs/dbraw/zinc/89/27/21/566892721.db2.gz NOWRZWQAYCWNJF-AWEZNQCLSA-N -1 3 381.416 3.101 20 0 GGADHM Cc1cnc(CC[N-]S(=O)(=O)c2cscc2Br)c(C)c1 ZINC000632535811 566893373 /nfs/dbraw/zinc/89/33/73/566893373.db2.gz BLAUDDAAGRZVBE-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CC(C)n1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000632529286 566893565 /nfs/dbraw/zinc/89/35/65/566893565.db2.gz DRFWIZBIXSNAIR-UHFFFAOYSA-N -1 3 382.795 3.010 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)ccc2F)c(Cl)c1OC ZINC000582799208 566894444 /nfs/dbraw/zinc/89/44/44/566894444.db2.gz RIOYYXCADFWYFT-UHFFFAOYSA-N -1 3 387.860 3.326 20 0 GGADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000543624501 566894639 /nfs/dbraw/zinc/89/46/39/566894639.db2.gz QJIHQFCMJVDOFI-CQSZACIVSA-N -1 3 396.242 3.425 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c(=O)[n-]1 ZINC000518613156 566894604 /nfs/dbraw/zinc/89/46/04/566894604.db2.gz SVNABAMEPQVBOU-JKSUJKDBSA-N -1 3 390.281 3.166 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c(=O)[n-]1 ZINC000518613153 566894960 /nfs/dbraw/zinc/89/49/60/566894960.db2.gz SVNABAMEPQVBOU-HOTGVXAUSA-N -1 3 390.281 3.166 20 0 GGADHM O=S(=O)([N-]CCNC/C=C\c1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000543634072 566895184 /nfs/dbraw/zinc/89/51/84/566895184.db2.gz FIIJWDGOBMNIFR-UPHRSURJSA-N -1 3 392.880 3.261 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]([C@@H](CO)C3CC3)C3CC3)s2)cs1 ZINC000451854215 566895499 /nfs/dbraw/zinc/89/54/99/566895499.db2.gz MUNDNHWATBKMOY-SUMWQHHRSA-N -1 3 398.575 3.255 20 0 GGADHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491127713 566895933 /nfs/dbraw/zinc/89/59/33/566895933.db2.gz BLWMLJKUVNZRRM-UHFFFAOYSA-N -1 3 389.901 3.139 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2Br)cn1 ZINC000543656224 566897020 /nfs/dbraw/zinc/89/70/20/566897020.db2.gz AOORAQYYHQGOON-UHFFFAOYSA-N -1 3 387.255 3.052 20 0 GGADHM O=C(C[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1cccc(F)c1F ZINC000632604553 566897326 /nfs/dbraw/zinc/89/73/26/566897326.db2.gz OIDSCGCZSFQKSU-UHFFFAOYSA-N -1 3 385.354 3.188 20 0 GGADHM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491186929 566897660 /nfs/dbraw/zinc/89/76/60/566897660.db2.gz MHSXPWNOSPCXTE-ZDUSSCGKSA-N -1 3 383.901 3.082 20 0 GGADHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000611183284 566898426 /nfs/dbraw/zinc/89/84/26/566898426.db2.gz HBKFOGDTMVYLBL-VIFPVBQESA-N -1 3 390.235 3.085 20 0 GGADHM CC[C@H](Cc1ccccc1Br)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000470760399 566901372 /nfs/dbraw/zinc/90/13/72/566901372.db2.gz PLGBOJMGUYCTNZ-CQSZACIVSA-N -1 3 392.297 3.242 20 0 GGADHM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000518784655 566901645 /nfs/dbraw/zinc/90/16/45/566901645.db2.gz MCTIJEOBWMLPFW-UHFFFAOYSA-N -1 3 382.869 3.375 20 0 GGADHM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000632651533 566902013 /nfs/dbraw/zinc/90/20/13/566902013.db2.gz UADVDILPZUSZAZ-YFKPBYRVSA-N -1 3 382.330 3.018 20 0 GGADHM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000632650079 566902112 /nfs/dbraw/zinc/90/21/12/566902112.db2.gz FEFNOMNJCKZCCY-ZETCQYMHSA-N -1 3 379.276 3.393 20 0 GGADHM C[C@]1(c2ccc(CNCc3c(Cl)cccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000518781992 566902385 /nfs/dbraw/zinc/90/23/85/566902385.db2.gz HFYBWJURFFKUQF-GOSISDBHSA-N -1 3 378.259 3.338 20 0 GGADHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000632650078 566902608 /nfs/dbraw/zinc/90/26/08/566902608.db2.gz FEFNOMNJCKZCCY-SSDOTTSWSA-N -1 3 379.276 3.393 20 0 GGADHM CCOC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCCC1 ZINC000582893184 566903486 /nfs/dbraw/zinc/90/34/86/566903486.db2.gz KOWXOOCZIUEPAJ-UHFFFAOYSA-N -1 3 382.345 3.447 20 0 GGADHM O=c1cc(CN2CCOc3c(Br)cccc3C2)nc(C2CC2)[n-]1 ZINC000656505282 566904942 /nfs/dbraw/zinc/90/49/42/566904942.db2.gz NVYAQGLKARQISQ-UHFFFAOYSA-N -1 3 376.254 3.217 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000518842951 566905637 /nfs/dbraw/zinc/90/56/37/566905637.db2.gz NAUDCRVFKHVFCU-VIFPVBQESA-N -1 3 389.260 3.005 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1 ZINC000518843398 566906065 /nfs/dbraw/zinc/90/60/65/566906065.db2.gz MPNBJPDKOCFOCS-UHFFFAOYSA-N -1 3 384.841 3.116 20 0 GGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000518844478 566906930 /nfs/dbraw/zinc/90/69/30/566906930.db2.gz OLQWCYGHPIQWIT-UHFFFAOYSA-N -1 3 380.853 3.042 20 0 GGADHM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000451918367 566907428 /nfs/dbraw/zinc/90/74/28/566907428.db2.gz PZLBGIREZBZZPJ-ZFWWWQNUSA-N -1 3 386.583 3.023 20 0 GGADHM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000451915784 566907531 /nfs/dbraw/zinc/90/75/31/566907531.db2.gz JDDZYFVFGBJUPS-YCPHGPKFSA-N -1 3 387.929 3.326 20 0 GGADHM O=C(N=c1cc(-c2ccc(I)cc2)[n-][nH]1)c1ccccc1 ZINC000518893760 566907885 /nfs/dbraw/zinc/90/78/85/566907885.db2.gz AZBMUUITCUTQOP-UHFFFAOYSA-N -1 3 389.196 3.356 20 0 GGADHM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491513330 566907908 /nfs/dbraw/zinc/90/79/08/566907908.db2.gz QYWKDCNDAQKYGE-HNNXBMFYSA-N -1 3 375.918 3.348 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CCC1 ZINC000611306426 566909034 /nfs/dbraw/zinc/90/90/34/566909034.db2.gz IYGAWHUXBNMXQP-SECBINFHSA-N -1 3 396.228 3.051 20 0 GGADHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491562393 566910275 /nfs/dbraw/zinc/91/02/75/566910275.db2.gz WMLCXQIHYFUNKC-SWLSCSKDSA-N -1 3 375.918 3.204 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000563715996 566910705 /nfs/dbraw/zinc/91/07/05/566910705.db2.gz NNMJTDXEVFVKDE-KBPBESRZSA-N -1 3 378.519 3.167 20 0 GGADHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491584733 566910701 /nfs/dbraw/zinc/91/07/01/566910701.db2.gz WXXWAWNCQALZTC-HNNXBMFYSA-N -1 3 375.918 3.204 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(OC(C)C)cc1)c1cccs1 ZINC000611340256 566910828 /nfs/dbraw/zinc/91/08/28/566910828.db2.gz WPCYQSYWEFJTGF-OAHLLOKOSA-N -1 3 383.491 3.118 20 0 GGADHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491589765 566910973 /nfs/dbraw/zinc/91/09/73/566910973.db2.gz UDTPTMMOLXXCPW-OAHLLOKOSA-N -1 3 375.918 3.204 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491580573 566911391 /nfs/dbraw/zinc/91/13/91/566911391.db2.gz CPVFZTIRPHJZSB-HOCLYGCPSA-N -1 3 387.929 3.348 20 0 GGADHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491592177 566911586 /nfs/dbraw/zinc/91/15/86/566911586.db2.gz RYCLGENBAFVHEH-TZMCWYRMSA-N -1 3 393.958 3.318 20 0 GGADHM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491592376 566911648 /nfs/dbraw/zinc/91/16/48/566911648.db2.gz UWZGTJKZQVPWJG-JSGCOSHPSA-N -1 3 393.958 3.318 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)c1F ZINC000543801806 566911953 /nfs/dbraw/zinc/91/19/53/566911953.db2.gz RRKGCBZWLZTNRS-UHFFFAOYSA-N -1 3 381.816 3.316 20 0 GGADHM CCn1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)ccc1=O ZINC000491604241 566913209 /nfs/dbraw/zinc/91/32/09/566913209.db2.gz KKAZYOSMHRUPOQ-UHFFFAOYSA-N -1 3 391.674 3.085 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000470885949 566913648 /nfs/dbraw/zinc/91/36/48/566913648.db2.gz JRISTPOMHOWBHL-HNNXBMFYSA-N -1 3 384.567 3.378 20 0 GGADHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000583000584 566913880 /nfs/dbraw/zinc/91/38/80/566913880.db2.gz QWIZDXNOZHFAOR-UHFFFAOYSA-N -1 3 382.536 3.232 20 0 GGADHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491762873 566914290 /nfs/dbraw/zinc/91/42/90/566914290.db2.gz PLURQJFGDWYTDT-ZDUSSCGKSA-N -1 3 375.918 3.206 20 0 GGADHM Cc1cc(Br)c(CS(=O)(=O)c2nc(C3CC3)n[n-]2)cc1Cl ZINC000656554634 566915014 /nfs/dbraw/zinc/91/50/14/566915014.db2.gz QNKIBNQOKUACCN-UHFFFAOYSA-N -1 3 390.690 3.380 20 0 GGADHM Cc1cc(Br)c(CS(=O)(=O)c2nnc(C3CC3)[n-]2)cc1Cl ZINC000656554634 566915020 /nfs/dbraw/zinc/91/50/20/566915020.db2.gz QNKIBNQOKUACCN-UHFFFAOYSA-N -1 3 390.690 3.380 20 0 GGADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1c[nH]cn1 ZINC000680514451 566915343 /nfs/dbraw/zinc/91/53/43/566915343.db2.gz MGPYWCYFFLPVFK-JTQLQIEISA-N -1 3 398.204 3.144 20 0 GGADHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000656556371 566915761 /nfs/dbraw/zinc/91/57/61/566915761.db2.gz UJXMWACJMQRKIU-UHFFFAOYSA-N -1 3 397.806 3.430 20 0 GGADHM CC(C)c1ccnc(N2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000656546905 566915923 /nfs/dbraw/zinc/91/59/23/566915923.db2.gz MVDUBZGFGLHRRK-UHFFFAOYSA-N -1 3 391.313 3.390 20 0 GGADHM COCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451974903 566915830 /nfs/dbraw/zinc/91/58/30/566915830.db2.gz UIDBKRJOCGAGJM-INIZCTEOSA-N -1 3 376.503 3.146 20 0 GGADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000451971968 566915930 /nfs/dbraw/zinc/91/59/30/566915930.db2.gz NRSHSWPAOPLVRN-AMIZOPFISA-N -1 3 382.707 3.194 20 0 GGADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000451966168 566916035 /nfs/dbraw/zinc/91/60/35/566916035.db2.gz DSFRBLWTRQFIFR-SDBXPKJASA-N -1 3 382.707 3.194 20 0 GGADHM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451965535 566916464 /nfs/dbraw/zinc/91/64/64/566916464.db2.gz LBAOERJEUQXRFP-SECBINFHSA-N -1 3 381.807 3.002 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)c(=O)[nH]1 ZINC000491831914 566917710 /nfs/dbraw/zinc/91/77/10/566917710.db2.gz MIAYFJAYXZBJGT-UHFFFAOYSA-N -1 3 377.647 3.312 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000543859866 566918722 /nfs/dbraw/zinc/91/87/22/566918722.db2.gz FXYGKPDAGKLAPV-UHFFFAOYSA-N -1 3 379.196 3.115 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nnc(C2CC2)s1 ZINC000583073673 566919082 /nfs/dbraw/zinc/91/90/82/566919082.db2.gz HDMIGSDUYOYNST-UHFFFAOYSA-N -1 3 378.306 3.342 20 0 GGADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000563814151 566919530 /nfs/dbraw/zinc/91/95/30/566919530.db2.gz OTVBXJOLQXLMBZ-LBPRGKRZSA-N -1 3 380.286 3.442 20 0 GGADHM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000563818738 566919750 /nfs/dbraw/zinc/91/97/50/566919750.db2.gz IFRORTGXZXTFQR-CYBMUJFWSA-N -1 3 389.171 3.361 20 0 GGADHM Cn1nc(CNC(=O)NCc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000680568056 566920179 /nfs/dbraw/zinc/92/01/79/566920179.db2.gz SZSDWDWWZGIDKS-UHFFFAOYSA-N -1 3 389.253 3.041 20 0 GGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000519092467 566920353 /nfs/dbraw/zinc/92/03/53/566920353.db2.gz LENBYXVYEADUKV-LSDHHAIUSA-N -1 3 380.535 3.242 20 0 GGADHM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)[C@H](CC)CCC)c1 ZINC000563814011 566920350 /nfs/dbraw/zinc/92/03/50/566920350.db2.gz FTLCPCUSWMTBRA-OAHLLOKOSA-N -1 3 376.544 3.085 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000491981042 566920426 /nfs/dbraw/zinc/92/04/26/566920426.db2.gz SEZZCESJRMMRTN-OLZOCXBDSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000491981042 566920431 /nfs/dbraw/zinc/92/04/31/566920431.db2.gz SEZZCESJRMMRTN-OLZOCXBDSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000491981042 566920434 /nfs/dbraw/zinc/92/04/34/566920434.db2.gz SEZZCESJRMMRTN-OLZOCXBDSA-N -1 3 384.237 3.371 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2ccc(Sc3nncs3)c(Cl)c2)on1 ZINC000611490236 566920366 /nfs/dbraw/zinc/92/03/66/566920366.db2.gz KWCWGBFXNZDBID-UHFFFAOYSA-N -1 3 396.837 3.370 20 0 GGADHM COC(=O)c1cc(C(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)on1 ZINC000611490339 566920809 /nfs/dbraw/zinc/92/08/09/566920809.db2.gz KHWXMZIWYANNTI-UHFFFAOYSA-N -1 3 378.690 3.308 20 0 GGADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000491981040 566920994 /nfs/dbraw/zinc/92/09/94/566920994.db2.gz SEZZCESJRMMRTN-CHWSQXEVSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000491981040 566920997 /nfs/dbraw/zinc/92/09/97/566920997.db2.gz SEZZCESJRMMRTN-CHWSQXEVSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000491981040 566921000 /nfs/dbraw/zinc/92/10/00/566921000.db2.gz SEZZCESJRMMRTN-CHWSQXEVSA-N -1 3 384.237 3.371 20 0 GGADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cc(Br)ccc1Cl ZINC000452017388 566922626 /nfs/dbraw/zinc/92/26/26/566922626.db2.gz NFIASQZFBHZXPD-SNVBAGLBSA-N -1 3 382.707 3.198 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2)C1CCCCC1 ZINC000656616005 566922866 /nfs/dbraw/zinc/92/28/66/566922866.db2.gz OIKFGRFWUDKMCH-KRWDZBQOSA-N -1 3 389.901 3.448 20 0 GGADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)CCc1ccccc1Cl ZINC000656615634 566922923 /nfs/dbraw/zinc/92/29/23/566922923.db2.gz KQPOQCCYNCPVSK-UHFFFAOYSA-N -1 3 378.881 3.451 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2)C1CCCCC1 ZINC000656616489 566923122 /nfs/dbraw/zinc/92/31/22/566923122.db2.gz WQTHTLKNPJRYDH-MRXNPFEDSA-N -1 3 375.874 3.406 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2)C1CCCC1 ZINC000656616410 566923269 /nfs/dbraw/zinc/92/32/69/566923269.db2.gz VBCCAYVMPBQDJN-QGZVFWFLSA-N -1 3 389.901 3.448 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1n1cccn1 ZINC000452016845 566923197 /nfs/dbraw/zinc/92/31/97/566923197.db2.gz PPSLMJSBPHXEBC-WDMOLILDSA-N -1 3 389.930 3.074 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cc(Cl)ccc1Br ZINC000452010698 566923292 /nfs/dbraw/zinc/92/32/92/566923292.db2.gz BOGSUSMXUIGOJQ-JTQLQIEISA-N -1 3 382.707 3.198 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2)C1CCCCC1 ZINC000656615448 566923453 /nfs/dbraw/zinc/92/34/53/566923453.db2.gz IUCGSNGFMABYRW-HNNXBMFYSA-N -1 3 384.523 3.068 20 0 GGADHM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1n1cccn1 ZINC000452016842 566923311 /nfs/dbraw/zinc/92/33/11/566923311.db2.gz PPSLMJSBPHXEBC-GYSYKLTISA-N -1 3 389.930 3.074 20 0 GGADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1F ZINC000583132572 566924075 /nfs/dbraw/zinc/92/40/75/566924075.db2.gz GHBPEYGZYGVBNV-UHFFFAOYSA-N -1 3 381.376 3.052 20 0 GGADHM COc1ccc(CN2CCc3ccc(O)cc3CC2)c(Br)c1[O-] ZINC000680651381 566924471 /nfs/dbraw/zinc/92/44/71/566924471.db2.gz VGIZKAUBLXANAB-UHFFFAOYSA-N -1 3 378.266 3.470 20 0 GGADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000563864394 566924475 /nfs/dbraw/zinc/92/44/75/566924475.db2.gz DIOAETZKUQIJBC-UHFFFAOYSA-N -1 3 386.876 3.491 20 0 GGADHM Cc1ccncc1[C@H](C)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000563876376 566924599 /nfs/dbraw/zinc/92/45/99/566924599.db2.gz AHXJQNRIUDVERF-LBPRGKRZSA-N -1 3 388.320 3.326 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1ccc(Br)c(Cl)c1 ZINC000452022693 566924871 /nfs/dbraw/zinc/92/48/71/566924871.db2.gz VMRURUJUXURPNS-JTQLQIEISA-N -1 3 382.707 3.198 20 0 GGADHM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000583155147 566924952 /nfs/dbraw/zinc/92/49/52/566924952.db2.gz NCPXDWGLHQDLOF-CHWSQXEVSA-N -1 3 391.320 3.205 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000583155148 566925141 /nfs/dbraw/zinc/92/51/41/566925141.db2.gz NCPXDWGLHQDLOF-OLZOCXBDSA-N -1 3 391.320 3.205 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000583155150 566925211 /nfs/dbraw/zinc/92/52/11/566925211.db2.gz NCPXDWGLHQDLOF-STQMWFEESA-N -1 3 391.320 3.205 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(C(C)(C)c2ccccc2)CC1 ZINC000452036192 566925749 /nfs/dbraw/zinc/92/57/49/566925749.db2.gz PGEUXCUQCRDTMX-UHFFFAOYSA-N -1 3 379.503 3.323 20 0 GGADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccon2)cc1Cl ZINC000543975619 566925986 /nfs/dbraw/zinc/92/59/86/566925986.db2.gz YUIDDZISAVWTHT-ZETCQYMHSA-N -1 3 395.662 3.139 20 0 GGADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1 ZINC000656625137 566926078 /nfs/dbraw/zinc/92/60/78/566926078.db2.gz WNVDPUNHULSWBQ-LBPRGKRZSA-N -1 3 381.416 3.254 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cnc1C)C1CCCCC1 ZINC000656632507 566928040 /nfs/dbraw/zinc/92/80/40/566928040.db2.gz XGSUKPXZSJXQEL-HNNXBMFYSA-N -1 3 391.331 3.490 20 0 GGADHM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000452051226 566928153 /nfs/dbraw/zinc/92/81/53/566928153.db2.gz YNBZMKCCAOILHF-HOTGVXAUSA-N -1 3 386.583 3.312 20 0 GGADHM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1Cl ZINC000563917251 566928316 /nfs/dbraw/zinc/92/83/16/566928316.db2.gz VEDCNCYTKJAVBF-UHFFFAOYSA-N -1 3 391.242 3.298 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC[C@@H]3CCCO3)nc(=O)c2c1C ZINC000492195762 566928479 /nfs/dbraw/zinc/92/84/79/566928479.db2.gz XDBQAVZXEJSVKY-QWRGUYRKSA-N -1 3 382.507 3.443 20 0 GGADHM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000452051228 566928593 /nfs/dbraw/zinc/92/85/93/566928593.db2.gz YNBZMKCCAOILHF-JKSUJKDBSA-N -1 3 386.583 3.312 20 0 GGADHM CC(C)COCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544001950 566928848 /nfs/dbraw/zinc/92/88/48/566928848.db2.gz HYOAOXKCLLFQBA-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@@H]2CCc3ccccc32)no1)c1ccc(Cl)s1 ZINC000680746434 566929230 /nfs/dbraw/zinc/92/92/30/566929230.db2.gz LHTKQIQBKJNBDL-GFCCVEGCSA-N -1 3 395.893 3.341 20 0 GGADHM O=C(Nc1ncccc1[O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000544024530 566929990 /nfs/dbraw/zinc/92/99/90/566929990.db2.gz GRKHZKKYXZKIKN-OAHLLOKOSA-N -1 3 382.247 3.106 20 0 GGADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000452067648 566929948 /nfs/dbraw/zinc/92/99/48/566929948.db2.gz MSSNBBRNSCNTEY-ZIAGYGMSSA-N -1 3 392.315 3.084 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c(F)c1 ZINC000452075505 566932098 /nfs/dbraw/zinc/93/20/98/566932098.db2.gz CANCDMRZJSXASX-MRXNPFEDSA-N -1 3 385.482 3.078 20 0 GGADHM CCCc1nc(C)c(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)s1 ZINC000544082127 566935948 /nfs/dbraw/zinc/93/59/48/566935948.db2.gz RBVDOUMSXACRLH-UHFFFAOYSA-N -1 3 378.479 3.493 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)c1 ZINC000611768740 566936835 /nfs/dbraw/zinc/93/68/35/566936835.db2.gz UXUVCOJFZBOJKT-MRVPVSSYSA-N -1 3 377.846 3.367 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000544099921 566937965 /nfs/dbraw/zinc/93/79/65/566937965.db2.gz KLKDPFSVGDWNIY-QWRGUYRKSA-N -1 3 382.309 3.486 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C ZINC000544099808 566938219 /nfs/dbraw/zinc/93/82/19/566938219.db2.gz CTGOJXWVJIEAGC-CYBMUJFWSA-N -1 3 379.931 3.183 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000680858952 566938487 /nfs/dbraw/zinc/93/84/87/566938487.db2.gz NRVZFIRJAPCUIO-GFCCVEGCSA-N -1 3 385.942 3.164 20 0 GGADHM CS[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000544104575 566938863 /nfs/dbraw/zinc/93/88/63/566938863.db2.gz LONFWKAXDZZFRQ-AWEZNQCLSA-N -1 3 396.937 3.494 20 0 GGADHM O=C(Nc1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cn1)C1CC1 ZINC000656727873 566939350 /nfs/dbraw/zinc/93/93/50/566939350.db2.gz QQZFIGXYQICPHC-UHFFFAOYSA-N -1 3 383.832 3.165 20 0 GGADHM O=S(=O)([N-]Cc1nccc(C(F)F)n1)c1csc(-c2ccccc2)n1 ZINC000519446097 566939678 /nfs/dbraw/zinc/93/96/78/566939678.db2.gz UBNDDHHYWCNVLA-UHFFFAOYSA-N -1 3 382.417 3.016 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(F)cc1F ZINC000519446146 566939710 /nfs/dbraw/zinc/93/97/10/566939710.db2.gz WTGHSCNIUFIZTE-ZDUSSCGKSA-N -1 3 389.449 3.199 20 0 GGADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000656731070 566940528 /nfs/dbraw/zinc/94/05/28/566940528.db2.gz LTFYEUCODXSSNK-NSHDSACASA-N -1 3 385.283 3.244 20 0 GGADHM CC1CCC(O)(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])CC1 ZINC000583328095 566940743 /nfs/dbraw/zinc/94/07/43/566940743.db2.gz SXXXECJITZVQEX-IBFVRDEOSA-N -1 3 382.298 3.202 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000519479672 566941540 /nfs/dbraw/zinc/94/15/40/566941540.db2.gz IPSBYSSSIKABST-SNVBAGLBSA-N -1 3 388.854 3.284 20 0 GGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000519486369 566942521 /nfs/dbraw/zinc/94/25/21/566942521.db2.gz XTMVZXPWRJSLNZ-LBPRGKRZSA-N -1 3 392.315 3.483 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)s1 ZINC000564085846 566942857 /nfs/dbraw/zinc/94/28/57/566942857.db2.gz HFDRDLYXOVIRRU-UHFFFAOYSA-N -1 3 382.507 3.058 20 0 GGADHM CCn1cc(Br)c(=O)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000471293554 566944360 /nfs/dbraw/zinc/94/43/60/566944360.db2.gz UUAFNWGIAAUTDK-UHFFFAOYSA-N -1 3 397.244 3.437 20 0 GGADHM Cn1[n-]c(=NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1OC(F)F ZINC000429665528 566944512 /nfs/dbraw/zinc/94/45/12/566944512.db2.gz ZNTOEKDJHQGLKO-UHFFFAOYSA-N -1 3 391.205 3.340 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1 ZINC000564094094 566945289 /nfs/dbraw/zinc/94/52/89/566945289.db2.gz HGKPHENLINKWKR-ZDUSSCGKSA-N -1 3 378.416 3.290 20 0 GGADHM CCc1nc(CC[N-]S(=O)(=O)c2cccc(Br)c2F)cs1 ZINC000544183087 566946594 /nfs/dbraw/zinc/94/65/94/566946594.db2.gz ASPZJEHWLLGSFZ-UHFFFAOYSA-N -1 3 393.303 3.128 20 0 GGADHM COCC[C@H](Cc1ccco1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000544176741 566947134 /nfs/dbraw/zinc/94/71/34/566947134.db2.gz KJOHREASEULACP-CYBMUJFWSA-N -1 3 397.269 3.195 20 0 GGADHM C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCN(C2CC2)C1 ZINC000452171696 566947110 /nfs/dbraw/zinc/94/71/10/566947110.db2.gz LFLBMSICMGQVON-JTQLQIEISA-N -1 3 387.705 3.364 20 0 GGADHM C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CCN(C2CC2)C1 ZINC000452169871 566947319 /nfs/dbraw/zinc/94/73/19/566947319.db2.gz GPYUTQORUOKKFL-SNVBAGLBSA-N -1 3 387.705 3.364 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)(C)C)s1 ZINC000583398895 566948136 /nfs/dbraw/zinc/94/81/36/566948136.db2.gz OUTHADWCHZIYKS-HNNXBMFYSA-N -1 3 381.523 3.476 20 0 GGADHM O=S(=O)([N-]CCc1ccccn1)c1cccc(Cl)c1Br ZINC000493533191 566949200 /nfs/dbraw/zinc/94/92/00/566949200.db2.gz WQGXQAITRIGRMJ-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000493543881 566949478 /nfs/dbraw/zinc/94/94/78/566949478.db2.gz KFWUUXWMEMEXOR-NXEZZACHSA-N -1 3 399.740 3.339 20 0 GGADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N(C)C ZINC000612024964 566949653 /nfs/dbraw/zinc/94/96/53/566949653.db2.gz MVFUBNXSYMXFSI-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1ncc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)c(=O)[n-]1 ZINC000544262350 566949791 /nfs/dbraw/zinc/94/97/91/566949791.db2.gz OUVPFAIVXURWQZ-UHFFFAOYSA-N -1 3 390.281 3.381 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000471388021 566950504 /nfs/dbraw/zinc/95/05/04/566950504.db2.gz MSCIDVISDWGLGG-NSHDSACASA-N -1 3 381.259 3.176 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c2nccn21 ZINC000583422619 566951166 /nfs/dbraw/zinc/95/11/66/566951166.db2.gz NVESAXPAYXWHBS-LDYMZIIASA-N -1 3 390.690 3.283 20 0 GGADHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493632532 566952772 /nfs/dbraw/zinc/95/27/72/566952772.db2.gz FOXOPRYMSMZBGW-UHFFFAOYSA-N -1 3 375.918 3.347 20 0 GGADHM CN(C)Cc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cc1F ZINC000493678146 566953006 /nfs/dbraw/zinc/95/30/06/566953006.db2.gz KZFHPSHXGCZERV-UHFFFAOYSA-N -1 3 395.272 3.214 20 0 GGADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)s1 ZINC000583437749 566953073 /nfs/dbraw/zinc/95/30/73/566953073.db2.gz CRIYZZNPZHPWEQ-STQMWFEESA-N -1 3 390.546 3.012 20 0 GGADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429816767 566953196 /nfs/dbraw/zinc/95/31/96/566953196.db2.gz HKUWDDAGHNXXCZ-SNVBAGLBSA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)CCOCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493680794 566953541 /nfs/dbraw/zinc/95/35/41/566953541.db2.gz NGFXCZXEXDERHN-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1ccc(Cl)cc1Cl ZINC000429825759 566953878 /nfs/dbraw/zinc/95/38/78/566953878.db2.gz ZAMJQJADYXAQNY-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC[C@@H]1O ZINC000429827587 566953925 /nfs/dbraw/zinc/95/39/25/566953925.db2.gz QVUISZGPORISMQ-KBPBESRZSA-N -1 3 396.734 3.322 20 0 GGADHM O=C(NCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000429829317 566954131 /nfs/dbraw/zinc/95/41/31/566954131.db2.gz PIQLYJDJESFXBL-UHFFFAOYSA-N -1 3 393.317 3.153 20 0 GGADHM COCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493785810 566954443 /nfs/dbraw/zinc/95/44/43/566954443.db2.gz AMDPHUUIRPAPLE-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493740747 566954535 /nfs/dbraw/zinc/95/45/35/566954535.db2.gz VLVXPPQYMSBQMR-LLVKDONJSA-N -1 3 395.750 3.255 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC[C@@H]1O ZINC000429827592 566954791 /nfs/dbraw/zinc/95/47/91/566954791.db2.gz QVUISZGPORISMQ-UONOGXRCSA-N -1 3 396.734 3.322 20 0 GGADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(C)(C)C ZINC000429828108 566954907 /nfs/dbraw/zinc/95/49/07/566954907.db2.gz JLDOGTVAWBSBFN-LBPRGKRZSA-N -1 3 384.723 3.442 20 0 GGADHM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1ccc(Cl)cc1Cl ZINC000429842095 566955588 /nfs/dbraw/zinc/95/55/88/566955588.db2.gz FXOGWCNJRHDUJZ-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM COc1ccc(COCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000429841694 566955594 /nfs/dbraw/zinc/95/55/94/566955594.db2.gz PLRLRWYSRSXPTO-UHFFFAOYSA-N -1 3 390.288 3.497 20 0 GGADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544348616 566955795 /nfs/dbraw/zinc/95/57/95/566955795.db2.gz QTITYZQFOCBZQC-SKDRFNHKSA-N -1 3 382.707 3.196 20 0 GGADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000544352469 566955964 /nfs/dbraw/zinc/95/59/64/566955964.db2.gz FGZWFDFYMOQBCK-CMPLNLGQSA-N -1 3 380.279 3.070 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1cc(Cl)ccc1Br ZINC000429841884 566955934 /nfs/dbraw/zinc/95/59/34/566955934.db2.gz RNKSOECZKXYQRJ-UHFFFAOYSA-N -1 3 390.686 3.073 20 0 GGADHM CS[C@H](C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(C)(C)C ZINC000612143723 566956028 /nfs/dbraw/zinc/95/60/28/566956028.db2.gz HCDWTWNMUOWBPF-GXFFZTMASA-N -1 3 378.585 3.001 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000429833844 566956108 /nfs/dbraw/zinc/95/61/08/566956108.db2.gz UWXHCGCRMKIXKR-ZDUSSCGKSA-N -1 3 388.272 3.229 20 0 GGADHM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl ZINC000429841972 566956624 /nfs/dbraw/zinc/95/66/24/566956624.db2.gz RYADQNWLIWVLNZ-CYBMUJFWSA-N -1 3 399.299 3.357 20 0 GGADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429841190 566956678 /nfs/dbraw/zinc/95/66/78/566956678.db2.gz DMOZBFANKPMYAM-LBPRGKRZSA-N -1 3 384.723 3.178 20 0 GGADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544349072 566957017 /nfs/dbraw/zinc/95/70/17/566957017.db2.gz PMEFZCMDQFRPTB-ZDUSSCGKSA-N -1 3 398.750 3.424 20 0 GGADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493841572 566957125 /nfs/dbraw/zinc/95/71/25/566957125.db2.gz GBFWAVDAAZLCIK-NXEZZACHSA-N -1 3 382.707 3.196 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCOCC1 ZINC000493877387 566957209 /nfs/dbraw/zinc/95/72/09/566957209.db2.gz ZZSPVFJVRWUYSS-SECBINFHSA-N -1 3 382.707 3.196 20 0 GGADHM O=C1NCCN(Cc2cc([O-])ccc2Br)[C@@H]1c1ccccc1Cl ZINC000544369889 566957512 /nfs/dbraw/zinc/95/75/12/566957512.db2.gz SUWWEMGGKMBOPF-MRXNPFEDSA-N -1 3 395.684 3.481 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)c3ccccc3Cl)cc2C1 ZINC000656862869 566957786 /nfs/dbraw/zinc/95/77/86/566957786.db2.gz LQRLPTQBOHZGBK-NSHDSACASA-N -1 3 398.937 3.346 20 0 GGADHM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc([O-])ccc1Cl ZINC000564259429 566958062 /nfs/dbraw/zinc/95/80/62/566958062.db2.gz NBMLSZHNFIXTLD-UHFFFAOYSA-N -1 3 397.656 3.485 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)OC(C)(C)C ZINC000429853887 566957968 /nfs/dbraw/zinc/95/79/68/566957968.db2.gz MRFVEHTUWSMUHD-MRVPVSSYSA-N -1 3 398.706 3.111 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCOC1 ZINC000493888801 566958072 /nfs/dbraw/zinc/95/80/72/566958072.db2.gz PTIYWIQRNQFLFX-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493884233 566958098 /nfs/dbraw/zinc/95/80/98/566958098.db2.gz XDVJMLKUJWOTBS-KOLCDFICSA-N -1 3 382.707 3.196 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000429855914 566958249 /nfs/dbraw/zinc/95/82/49/566958249.db2.gz FWUUOSNGTDQFMA-SECBINFHSA-N -1 3 391.242 3.156 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)c1cc2ccccc2o1 ZINC000544372036 566958174 /nfs/dbraw/zinc/95/81/74/566958174.db2.gz VAOXIHIRQGACAS-SNVBAGLBSA-N -1 3 378.837 3.225 20 0 GGADHM Cc1cc(F)cc(C)c1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000429849390 566958504 /nfs/dbraw/zinc/95/85/04/566958504.db2.gz JYJARLFDAPKIGV-UHFFFAOYSA-N -1 3 388.258 3.389 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCCO1 ZINC000493893264 566958668 /nfs/dbraw/zinc/95/86/68/566958668.db2.gz DQPDYJNCKQXYIQ-MWLCHTKSSA-N -1 3 382.707 3.338 20 0 GGADHM CN(CCc1ccccc1O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000519674202 566958911 /nfs/dbraw/zinc/95/89/11/566958911.db2.gz ZEAVYKWVACTBMH-UHFFFAOYSA-N -1 3 379.254 3.244 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)N1CCCc2ccccc21 ZINC000429864416 566959399 /nfs/dbraw/zinc/95/93/99/566959399.db2.gz IGWMWGWIPFSKEX-UHFFFAOYSA-N -1 3 399.299 3.251 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)cc1Cl ZINC000429861867 566959725 /nfs/dbraw/zinc/95/97/25/566959725.db2.gz XKYNMIZDWLNVQJ-UHFFFAOYSA-N -1 3 392.235 3.478 20 0 GGADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)c(C)o1 ZINC000429865026 566959812 /nfs/dbraw/zinc/95/98/12/566959812.db2.gz XBTLZMLJKGDTCW-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493904018 566959967 /nfs/dbraw/zinc/95/99/67/566959967.db2.gz BZHKHOAIYVPKTO-UWVGGRQHSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-]CCc1nccs1)c1cc(Cl)ccc1Br ZINC000429865946 566960061 /nfs/dbraw/zinc/96/00/61/566960061.db2.gz LTVZNTOAXAUARD-UHFFFAOYSA-N -1 3 381.704 3.080 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493910171 566960385 /nfs/dbraw/zinc/96/03/85/566960385.db2.gz ZHTPSCNVEPXXAT-NOZJJQNGSA-N -1 3 384.723 3.178 20 0 GGADHM C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO[C@@H]1C1CC1 ZINC000493896909 566960832 /nfs/dbraw/zinc/96/08/32/566960832.db2.gz KBNCTVNIIHVIGA-ZIAGYGMSSA-N -1 3 394.718 3.338 20 0 GGADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429870007 566960855 /nfs/dbraw/zinc/96/08/55/566960855.db2.gz HEMFNVDAZNFZLI-CYBMUJFWSA-N -1 3 398.750 3.424 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCCO1 ZINC000429869557 566960869 /nfs/dbraw/zinc/96/08/69/566960869.db2.gz QYODZNIPBRTVRV-BXKDBHETSA-N -1 3 382.707 3.338 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000493917639 566960975 /nfs/dbraw/zinc/96/09/75/566960975.db2.gz SVBAHINNOWSEQT-YJBOKZPZSA-N -1 3 385.913 3.365 20 0 GGADHM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@@H]1C1CC1 ZINC000429876372 566961140 /nfs/dbraw/zinc/96/11/40/566961140.db2.gz GWNNMODFOZUUSP-KGLIPLIRSA-N -1 3 394.718 3.338 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429866966 566961368 /nfs/dbraw/zinc/96/13/68/566961368.db2.gz KZZLSPALRSTPSS-NOZJJQNGSA-N -1 3 384.723 3.178 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(CCC(C)C)CCC(C)C)s1 ZINC000612280559 566961635 /nfs/dbraw/zinc/96/16/35/566961635.db2.gz GXEYVTSKBNJZBR-UHFFFAOYSA-N -1 3 389.587 3.260 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2c(C)cc(C)cc2Cl)s1 ZINC000612276868 566961815 /nfs/dbraw/zinc/96/18/15/566961815.db2.gz TXWSRYSUCDLIKE-UHFFFAOYSA-N -1 3 387.914 3.248 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc3c(c2)OCO3)CC1 ZINC000583548710 566962207 /nfs/dbraw/zinc/96/22/07/566962207.db2.gz BCHZAJGYRKAWEA-UHFFFAOYSA-N -1 3 381.837 3.045 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)OC ZINC000493933170 566962319 /nfs/dbraw/zinc/96/23/19/566962319.db2.gz CWWRXKQIGYNISZ-JTQLQIEISA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-][C@H](CCO)c1ccco1)c1cc(Cl)ccc1Br ZINC000429878280 566962236 /nfs/dbraw/zinc/96/22/36/566962236.db2.gz FVJLNSNSYIADKK-LLVKDONJSA-N -1 3 394.674 3.098 20 0 GGADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000429886154 566962383 /nfs/dbraw/zinc/96/23/83/566962383.db2.gz BEJXZYZYOFHIPT-LBPRGKRZSA-N -1 3 382.869 3.426 20 0 GGADHM O=S(=O)([N-]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccncc1 ZINC000656873002 566962478 /nfs/dbraw/zinc/96/24/78/566962478.db2.gz AGSKNFYXEMEOTA-RKDXNWHRSA-N -1 3 376.322 3.269 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000471578744 566962850 /nfs/dbraw/zinc/96/28/50/566962850.db2.gz RNHBEICLRJCIPA-UHFFFAOYSA-N -1 3 376.331 3.468 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)N(C)C1CC1 ZINC000471593137 566963927 /nfs/dbraw/zinc/96/39/27/566963927.db2.gz IWXJXBCBXCPOCR-QMMMGPOBSA-N -1 3 399.713 3.003 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CN1C1CC1 ZINC000493945223 566963936 /nfs/dbraw/zinc/96/39/36/566963936.db2.gz PCKHEEZLWHRUIW-ZJUUUORDSA-N -1 3 393.734 3.006 20 0 GGADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)N(C)C1CC1 ZINC000471593136 566964236 /nfs/dbraw/zinc/96/42/36/566964236.db2.gz IWXJXBCBXCPOCR-MRVPVSSYSA-N -1 3 399.713 3.003 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CN1C1CC1 ZINC000493945222 566964677 /nfs/dbraw/zinc/96/46/77/566964677.db2.gz PCKHEEZLWHRUIW-VHSXEESVSA-N -1 3 393.734 3.006 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCO1 ZINC000656886412 566965861 /nfs/dbraw/zinc/96/58/61/566965861.db2.gz USPXXTXHWDREJH-ZDUSSCGKSA-N -1 3 392.315 3.085 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000429906898 566965925 /nfs/dbraw/zinc/96/59/25/566965925.db2.gz XXBBEJOMLPBROQ-SECBINFHSA-N -1 3 384.242 3.171 20 0 GGADHM CCC1CCC(C[N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CC1 ZINC000656886754 566966251 /nfs/dbraw/zinc/96/62/51/566966251.db2.gz XUYKOKSIVSOJHJ-UHFFFAOYSA-N -1 3 384.567 3.147 20 0 GGADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCN1C ZINC000471614259 566966395 /nfs/dbraw/zinc/96/63/95/566966395.db2.gz TXUGNVAFRKAGMZ-IUCAKERBSA-N -1 3 399.713 3.003 20 0 GGADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cl)c(F)cc1Br ZINC000583606122 566966590 /nfs/dbraw/zinc/96/65/90/566966590.db2.gz SMFWBWLSONYHMF-LBPRGKRZSA-N -1 3 388.624 3.490 20 0 GGADHM O=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)Nc1ccc(Cl)cc1[O-] ZINC000583605481 566966745 /nfs/dbraw/zinc/96/67/45/566966745.db2.gz HEWZVEKXUBBIOB-UHFFFAOYSA-N -1 3 379.865 3.411 20 0 GGADHM C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCCN1C ZINC000471627697 566967675 /nfs/dbraw/zinc/96/76/75/566967675.db2.gz KKHUCHZIOHQIFE-QPUJVOFHSA-N -1 3 399.713 3.003 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCSc1ccccc1 ZINC000429932137 566968232 /nfs/dbraw/zinc/96/82/32/566968232.db2.gz JXNZBVYXQRPOEQ-UHFFFAOYSA-N -1 3 391.294 3.433 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(CC(C)C)CC(C)C)cc2C1 ZINC000656897484 566968464 /nfs/dbraw/zinc/96/84/64/566968464.db2.gz MUMYNOIPHZXHLR-UHFFFAOYSA-N -1 3 386.583 3.392 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1)C1CCCC1 ZINC000656896948 566968636 /nfs/dbraw/zinc/96/86/36/566968636.db2.gz JTYRKXXULWDVHI-DLBZAZTESA-N -1 3 380.535 3.357 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1ccc(F)cc1 ZINC000429954132 566968685 /nfs/dbraw/zinc/96/86/85/566968685.db2.gz VZJDBGQQLNVMFC-UHFFFAOYSA-N -1 3 377.217 3.022 20 0 GGADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000494056063 566968898 /nfs/dbraw/zinc/96/88/98/566968898.db2.gz YVSRPOLVCJWQQR-SNVBAGLBSA-N -1 3 386.832 3.257 20 0 GGADHM C[C@@]1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCOC1 ZINC000544558892 566968882 /nfs/dbraw/zinc/96/88/82/566968882.db2.gz URNUMFZNTIUDDP-OAHLLOKOSA-N -1 3 384.661 3.280 20 0 GGADHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656895398 566969193 /nfs/dbraw/zinc/96/91/93/566969193.db2.gz YSDTXCIJMNBIJV-GDBMZVCRSA-N -1 3 384.567 3.290 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3CCC[C@H](C(C)C)C3)cc2C1 ZINC000656897442 566969539 /nfs/dbraw/zinc/96/95/39/566969539.db2.gz LOUHRDPFHCFBPM-HOCLYGCPSA-N -1 3 384.567 3.146 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1cc(F)cc(F)c1 ZINC000429949946 566969559 /nfs/dbraw/zinc/96/95/59/566969559.db2.gz YGEZRTZOKCKTSO-UHFFFAOYSA-N -1 3 395.207 3.161 20 0 GGADHM CC[C@@](C)(NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nccs1 ZINC000429950988 566969570 /nfs/dbraw/zinc/96/95/70/566969570.db2.gz UBGWUDNZHAOHBO-OAHLLOKOSA-N -1 3 394.298 3.422 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N(Cc1ccncc1)C1CC1 ZINC000429944233 566969647 /nfs/dbraw/zinc/96/96/47/566969647.db2.gz LCHOPPPOGIIEQW-UHFFFAOYSA-N -1 3 386.253 3.110 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC[C@@H]3CCCC[C@H]3C)cc2C1 ZINC000656905005 566970167 /nfs/dbraw/zinc/97/01/67/566970167.db2.gz VOAQHYILHITOMZ-HIFRSBDPSA-N -1 3 384.567 3.147 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429963730 566971660 /nfs/dbraw/zinc/97/16/60/566971660.db2.gz AQMNLETUTZAVPF-GFCCVEGCSA-N -1 3 397.871 3.469 20 0 GGADHM CC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1c(C)noc1C ZINC000429957243 566971685 /nfs/dbraw/zinc/97/16/85/566971685.db2.gz YMNPSLQCHUJENS-ZDUSSCGKSA-N -1 3 392.257 3.396 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)cc1F ZINC000544596674 566971748 /nfs/dbraw/zinc/97/17/48/566971748.db2.gz WUDHHLDILWSUOK-HNNXBMFYSA-N -1 3 375.824 3.080 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000429978264 566972372 /nfs/dbraw/zinc/97/23/72/566972372.db2.gz WPZOSRWHDBMDQQ-VIFPVBQESA-N -1 3 384.242 3.171 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc(Br)cc2c1OCC2 ZINC000429972666 566972506 /nfs/dbraw/zinc/97/25/06/566972506.db2.gz MDPIFEWBMWHBJO-VIFPVBQESA-N -1 3 396.253 3.098 20 0 GGADHM C[C@@H](CCc1cccn1C)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429976413 566972678 /nfs/dbraw/zinc/97/26/78/566972678.db2.gz VFADFZPQEKHYSA-LBPRGKRZSA-N -1 3 390.285 3.000 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCCc2occc21 ZINC000429980866 566972861 /nfs/dbraw/zinc/97/28/61/566972861.db2.gz DALDWJSHSLKXJI-CYBMUJFWSA-N -1 3 375.226 3.311 20 0 GGADHM CCc1cc(=O)[n-]c(CN(CCOC)Cc2cc(Br)cs2)n1 ZINC000494137545 566973324 /nfs/dbraw/zinc/97/33/24/566973324.db2.gz RVUBJIRMOLIGBP-UHFFFAOYSA-N -1 3 386.315 3.217 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1cccc(F)c1 ZINC000429973438 566973373 /nfs/dbraw/zinc/97/33/73/566973373.db2.gz VZROLLMDFZALKX-UHFFFAOYSA-N -1 3 377.217 3.022 20 0 GGADHM CCCO[C@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000429981720 566973413 /nfs/dbraw/zinc/97/34/13/566973413.db2.gz JHSPCHFBCRZWSY-HNNXBMFYSA-N -1 3 395.301 3.332 20 0 GGADHM CCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCOCC1 ZINC000564435992 566975616 /nfs/dbraw/zinc/97/56/16/566975616.db2.gz RFQQNOJKRCUYCX-UHFFFAOYSA-N -1 3 393.281 3.227 20 0 GGADHM CCOc1nc2cc(C(=O)NCc3nc(C)c(Br)s3)ccc2[n-]1 ZINC000452402315 566976540 /nfs/dbraw/zinc/97/65/40/566976540.db2.gz ZVYYALSNZSKESP-UHFFFAOYSA-N -1 3 395.282 3.419 20 0 GGADHM CCOc1nc2ccc(C(=O)NCc3nc(C)c(Br)s3)cc2[n-]1 ZINC000452402315 566976547 /nfs/dbraw/zinc/97/65/47/566976547.db2.gz ZVYYALSNZSKESP-UHFFFAOYSA-N -1 3 395.282 3.419 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cn1 ZINC000544640061 566976608 /nfs/dbraw/zinc/97/66/08/566976608.db2.gz MSNWFJSPORKFPU-UHFFFAOYSA-N -1 3 384.841 3.096 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C1CCC1 ZINC000656930478 566976990 /nfs/dbraw/zinc/97/69/90/566976990.db2.gz IJCKVYXMGXAJJO-INIZCTEOSA-N -1 3 384.567 3.290 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000430030140 566977482 /nfs/dbraw/zinc/97/74/82/566977482.db2.gz HMCCHYDNVAQALK-DZGCQCFKSA-N -1 3 398.326 3.136 20 0 GGADHM CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(Br)cc1[O-] ZINC000583732925 566978263 /nfs/dbraw/zinc/97/82/63/566978263.db2.gz XCJUJEYYKACJKT-NSHDSACASA-N -1 3 392.315 3.334 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1ccc(C2=CCCC2)cc1 ZINC000564504655 566979708 /nfs/dbraw/zinc/97/97/08/566979708.db2.gz JOPMXDGRXJYGFW-UHFFFAOYSA-N -1 3 376.503 3.024 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCCC1 ZINC000544669414 566979842 /nfs/dbraw/zinc/97/98/42/566979842.db2.gz AFKQREJRHAQESG-UHFFFAOYSA-N -1 3 379.503 3.369 20 0 GGADHM CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H](CC)O1 ZINC000583746767 566979886 /nfs/dbraw/zinc/97/98/86/566979886.db2.gz OGLIGJQIWHFRKF-CHWSQXEVSA-N -1 3 393.281 3.320 20 0 GGADHM COc1cc(Cl)ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430101514 566980887 /nfs/dbraw/zinc/98/08/87/566980887.db2.gz WZMLYNUNSHZEHW-UHFFFAOYSA-N -1 3 380.629 3.433 20 0 GGADHM O=C(N[C@H]1CCCc2cn[nH]c21)c1c([O-])cnc2c(Br)cccc21 ZINC000564513070 566981089 /nfs/dbraw/zinc/98/10/89/566981089.db2.gz HGETWBTZRJBDAL-LBPRGKRZSA-N -1 3 387.237 3.233 20 0 GGADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1OC(F)F ZINC000430102633 566982198 /nfs/dbraw/zinc/98/21/98/566982198.db2.gz JEPPKIWJXAXHFB-UHFFFAOYSA-N -1 3 382.164 3.372 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1cc(F)cc(Cl)c1 ZINC000583770686 566982248 /nfs/dbraw/zinc/98/22/48/566982248.db2.gz PQXWZFFLMRCOOL-JTQLQIEISA-N -1 3 378.252 3.187 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C)C1 ZINC000656949844 566982508 /nfs/dbraw/zinc/98/25/08/566982508.db2.gz VBESCRBLIZOCGN-WCQYABFASA-N -1 3 392.315 3.084 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000471884562 566982901 /nfs/dbraw/zinc/98/29/01/566982901.db2.gz BFNGUSXCQAXNNX-LLVKDONJSA-N -1 3 378.416 3.339 20 0 GGADHM CC(C)O[C@@]1(C(=O)Nc2n[n-]c(-c3cc(Cl)ccc3Cl)n2)CCOC1 ZINC000583793529 566983794 /nfs/dbraw/zinc/98/37/94/566983794.db2.gz OQBNGDBBDRRSKJ-INIZCTEOSA-N -1 3 385.251 3.301 20 0 GGADHM O=C(CCCOc1ccc(F)cc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430105097 566983742 /nfs/dbraw/zinc/98/37/42/566983742.db2.gz WBVUMMMSQMNIOZ-UHFFFAOYSA-N -1 3 392.228 3.456 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(OC)CCC1 ZINC000656957170 566984333 /nfs/dbraw/zinc/98/43/33/566984333.db2.gz REFHGHRFDLBITK-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CCCCC1 ZINC000656961568 566984389 /nfs/dbraw/zinc/98/43/89/566984389.db2.gz YUYPWIAGQDBMFE-UHFFFAOYSA-N -1 3 384.567 3.292 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2nnc3ccc(Br)cn32)s1 ZINC000452470848 566984420 /nfs/dbraw/zinc/98/44/20/566984420.db2.gz VCKGQMYCLDUFJT-QMMMGPOBSA-N -1 3 396.270 3.298 20 0 GGADHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000544714453 566984621 /nfs/dbraw/zinc/98/46/21/566984621.db2.gz FWDLUWZAPGWCGI-GFCCVEGCSA-N -1 3 393.347 3.221 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C ZINC000656956415 566984884 /nfs/dbraw/zinc/98/48/84/566984884.db2.gz OZMPOSHVNCTVMR-XHDPSFHLSA-N -1 3 392.315 3.084 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCC3=CCCCCC3)cc2C1 ZINC000656962476 566986077 /nfs/dbraw/zinc/98/60/77/566986077.db2.gz DTZRAUKPVOBYDZ-UHFFFAOYSA-N -1 3 382.551 3.212 20 0 GGADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)no1 ZINC000656966356 566986462 /nfs/dbraw/zinc/98/64/62/566986462.db2.gz RCNKXAUPANWOQL-UHFFFAOYSA-N -1 3 390.864 3.402 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F)C1CCCC1 ZINC000656963744 566986484 /nfs/dbraw/zinc/98/64/84/566986484.db2.gz CTYOOBXGBAIEMU-JKSUJKDBSA-N -1 3 379.444 3.457 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1Cc1ccccc1 ZINC000520124962 566986428 /nfs/dbraw/zinc/98/64/28/566986428.db2.gz SHMGJHAWVLICJY-HNNXBMFYSA-N -1 3 399.299 3.073 20 0 GGADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F ZINC000494320965 566987059 /nfs/dbraw/zinc/98/70/59/566987059.db2.gz XMKOXLKUGNNNEK-LLVKDONJSA-N -1 3 387.395 3.250 20 0 GGADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000494307368 566987443 /nfs/dbraw/zinc/98/74/43/566987443.db2.gz FJQJZQUIWBENPR-MRVPVSSYSA-N -1 3 375.210 3.244 20 0 GGADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)cc2C1 ZINC000656973155 566987816 /nfs/dbraw/zinc/98/78/16/566987816.db2.gz XJQZNJYXAJYLBK-SNVBAGLBSA-N -1 3 398.472 3.052 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)c2ccc(C)nc2)c1 ZINC000544730205 566988156 /nfs/dbraw/zinc/98/81/56/566988156.db2.gz AUPNBZOFTFRQLT-UHFFFAOYSA-N -1 3 399.310 3.375 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)[C@@]12CCCO2 ZINC000544731288 566988246 /nfs/dbraw/zinc/98/82/46/566988246.db2.gz PBZSSEYVHLCZQF-ZENOOKHLSA-N -1 3 394.320 3.307 20 0 GGADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)c2nccn21 ZINC000583853507 566989067 /nfs/dbraw/zinc/98/90/67/566989067.db2.gz IQXPBTOLFNHURG-SCZZXKLOSA-N -1 3 390.690 3.283 20 0 GGADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)c1 ZINC000494323889 566988832 /nfs/dbraw/zinc/98/88/32/566988832.db2.gz YJCZYEQVLCDOSD-JTQLQIEISA-N -1 3 385.379 3.402 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)[C@]12CCCO2 ZINC000544731286 566988790 /nfs/dbraw/zinc/98/87/90/566988790.db2.gz PBZSSEYVHLCZQF-WOSRLPQWSA-N -1 3 394.320 3.307 20 0 GGADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)s1 ZINC000544728271 566988864 /nfs/dbraw/zinc/98/88/64/566988864.db2.gz TUFMTRGBABGOJO-LURJTMIESA-N -1 3 396.719 3.302 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc(C3CCCCC3)cs2)o1 ZINC000633747374 566989991 /nfs/dbraw/zinc/98/99/91/566989991.db2.gz KVFIWLYGMQKXKN-UHFFFAOYSA-N -1 3 383.495 3.286 20 0 GGADHM O=C(CCc1cc(F)ccc1F)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430144347 566990754 /nfs/dbraw/zinc/99/07/54/566990754.db2.gz HCRCIRREPIRHGR-UHFFFAOYSA-N -1 3 380.192 3.368 20 0 GGADHM CN(Cc1ccc(Br)cc1F)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000633757060 566991328 /nfs/dbraw/zinc/99/13/28/566991328.db2.gz JPLNWCHQIBCTGV-UHFFFAOYSA-N -1 3 380.217 3.233 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(COC)CCC1 ZINC000656984587 566991454 /nfs/dbraw/zinc/99/14/54/566991454.db2.gz NNQYYGOVIDAVRB-UHFFFAOYSA-N -1 3 392.315 3.085 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]C[C@@]1(C)OCCc2sccc21)C1CCCCC1 ZINC000656991717 566992431 /nfs/dbraw/zinc/99/24/31/566992431.db2.gz WNRZXMMFHYOMEG-FUHWJXTLSA-N -1 3 387.567 3.051 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)OCCc2sccc21 ZINC000656991455 566992466 /nfs/dbraw/zinc/99/24/66/566992466.db2.gz VOOKKPQRGGXIQM-INIZCTEOSA-N -1 3 389.901 3.448 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)C(C)(C)O ZINC000656997506 566993928 /nfs/dbraw/zinc/99/39/28/566993928.db2.gz SULWXJZFCRICPH-CQSZACIVSA-N -1 3 394.331 3.066 20 0 GGADHM C[C@@H](Oc1cccc(F)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430161295 566994006 /nfs/dbraw/zinc/99/40/06/566994006.db2.gz HXADNSOSVSGZCC-SNVBAGLBSA-N -1 3 378.201 3.064 20 0 GGADHM CCSc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cn1 ZINC000430159686 566994293 /nfs/dbraw/zinc/99/42/93/566994293.db2.gz DSOLMQPWZIJACP-UHFFFAOYSA-N -1 3 377.267 3.278 20 0 GGADHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Br)OC ZINC000656999571 566994414 /nfs/dbraw/zinc/99/44/14/566994414.db2.gz PGCAWZOMIMUECE-YGRLFVJLSA-N -1 3 382.295 3.069 20 0 GGADHM CCc1nc(C)c(C[N-]S(=O)(=O)Cc2cc(F)ccc2Br)o1 ZINC000656995355 566994765 /nfs/dbraw/zinc/99/47/65/566994765.db2.gz QFYHLZOBLLAQDI-UHFFFAOYSA-N -1 3 391.262 3.067 20 0 GGADHM CCOC(=O)C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Br)cc1 ZINC000472021800 566995207 /nfs/dbraw/zinc/99/52/07/566995207.db2.gz MFCUPPHQRIPYAX-NSHDSACASA-N -1 3 399.266 3.036 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472024548 566995463 /nfs/dbraw/zinc/99/54/63/566995463.db2.gz HGMCSXOOHVUWTR-GHMZBOCLSA-N -1 3 378.416 3.480 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cnccc1C ZINC000657002221 566995873 /nfs/dbraw/zinc/99/58/73/566995873.db2.gz AZMLDFBJTIVJRG-UHFFFAOYSA-N -1 3 399.310 3.420 20 0 GGADHM CCN(CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1)CCC(F)(F)F ZINC000494399662 566997370 /nfs/dbraw/zinc/99/73/70/566997370.db2.gz VFZZVWDUEFSOOZ-UHFFFAOYSA-N -1 3 378.869 3.263 20 0 GGADHM COc1ccc(CNCc2ccc([S@@](C)=O)cc2)c(Br)c1[O-] ZINC000612804380 566997472 /nfs/dbraw/zinc/99/74/72/566997472.db2.gz YWPGJUAUGXHLSF-JOCHJYFZSA-N -1 3 384.295 3.191 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C)O1 ZINC000657009633 566997576 /nfs/dbraw/zinc/99/75/76/566997576.db2.gz QRKAVAHFDAYAPC-YPMHNXCESA-N -1 3 392.315 3.084 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H](C)c1nccs1 ZINC000657012849 566997927 /nfs/dbraw/zinc/99/79/27/566997927.db2.gz JIWSYMNIDOLNGQ-ZETCQYMHSA-N -1 3 395.275 3.093 20 0 GGADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)CCOC ZINC000657012882 566997963 /nfs/dbraw/zinc/99/79/63/566997963.db2.gz KUOVCWFAEUAFEY-GFCCVEGCSA-N -1 3 394.331 3.189 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C1CCCC1 ZINC000657011951 566998144 /nfs/dbraw/zinc/99/81/44/566998144.db2.gz QFHHRBJCFZRWJM-MRXNPFEDSA-N -1 3 384.567 3.290 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)ccc1C ZINC000544838683 566999053 /nfs/dbraw/zinc/99/90/53/566999053.db2.gz FREVUOKOMUTYTO-UHFFFAOYSA-N -1 3 378.416 3.497 20 0 GGADHM CC1(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CCCC1 ZINC000472089651 567000313 /nfs/dbraw/zinc/00/03/13/567000313.db2.gz VNSMBDFAGPVGJW-UHFFFAOYSA-N -1 3 378.416 3.387 20 0 GGADHM CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000472092100 567000367 /nfs/dbraw/zinc/00/03/67/567000367.db2.gz AKXHONZOEXCLIT-CZUORRHYSA-N -1 3 391.530 3.112 20 0 GGADHM CCCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC ZINC000544849612 567000498 /nfs/dbraw/zinc/00/04/98/567000498.db2.gz RWXDQHXMNJKQKR-NSHDSACASA-N -1 3 398.706 3.113 20 0 GGADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000520388689 567000937 /nfs/dbraw/zinc/00/09/37/567000937.db2.gz WOXFLSQEDJLZRB-LLVKDONJSA-N -1 3 381.828 3.321 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000657022461 567000991 /nfs/dbraw/zinc/00/09/91/567000991.db2.gz HDYYTFQIXXHCBN-UHFFFAOYSA-N -1 3 378.263 3.208 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000657022006 567001513 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3 386.304 3.193 20 0 GGADHM O=S(=O)([N-][C@@]12C[C@@H]1CCC2)c1ccc(Br)cc1Br ZINC000657049281 567006734 /nfs/dbraw/zinc/00/67/34/567006734.db2.gz DFIOVYSKDDUEOE-UFBFGSQYSA-N -1 3 395.116 3.433 20 0 GGADHM O=S(=O)([N-][C@@]12C[C@@H]1CCC2)c1cc(Br)ccc1Br ZINC000657055675 567007084 /nfs/dbraw/zinc/00/70/84/567007084.db2.gz XKTRELPQWIGOKH-UFBFGSQYSA-N -1 3 395.116 3.433 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1OC(F)F)c1cc(F)c(F)c(F)c1 ZINC000472202799 567008143 /nfs/dbraw/zinc/00/81/43/567008143.db2.gz BKODHRCAYZCVGO-UHFFFAOYSA-N -1 3 381.322 3.226 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000520507975 567008421 /nfs/dbraw/zinc/00/84/21/567008421.db2.gz WBKGTQDAAMZOBU-LSDHHAIUSA-N -1 3 384.237 3.371 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000520507975 567008429 /nfs/dbraw/zinc/00/84/29/567008429.db2.gz WBKGTQDAAMZOBU-LSDHHAIUSA-N -1 3 384.237 3.371 20 0 GGADHM C[C@@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)[C@H]1C ZINC000472201048 567008379 /nfs/dbraw/zinc/00/83/79/567008379.db2.gz MOUYRQYPAUATSO-MNOVXSKESA-N -1 3 378.416 3.338 20 0 GGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472201050 567008880 /nfs/dbraw/zinc/00/88/80/567008880.db2.gz MOUYRQYPAUATSO-WDEREUQCSA-N -1 3 378.416 3.338 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCN(C(C)(C)C)C3)s2)cs1 ZINC000657063463 567009257 /nfs/dbraw/zinc/00/92/57/567009257.db2.gz XVAHPIYXCZBRGH-LBPRGKRZSA-N -1 3 385.580 3.331 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2)c(Cl)c1Cl ZINC000657063292 567009513 /nfs/dbraw/zinc/00/95/13/567009513.db2.gz WKTGWLUTIWNQHJ-SNVBAGLBSA-N -1 3 381.325 3.153 20 0 GGADHM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CC[C@@H](C2CCOCC2)C1 ZINC000564804219 567009662 /nfs/dbraw/zinc/00/96/62/567009662.db2.gz UYOODAFHJVNUKB-MLGOLLRUSA-N -1 3 386.261 3.462 20 0 GGADHM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CC[C@H](C2CCOCC2)C1 ZINC000564804216 567009796 /nfs/dbraw/zinc/00/97/96/567009796.db2.gz UYOODAFHJVNUKB-LRDDRELGSA-N -1 3 386.261 3.462 20 0 GGADHM O=S(=O)([N-]Cc1nc(CCCc2ccccc2Cl)no1)c1cccs1 ZINC000544973093 567010187 /nfs/dbraw/zinc/01/01/87/567010187.db2.gz SYVXHDUXGQZCGE-UHFFFAOYSA-N -1 3 397.909 3.438 20 0 GGADHM CC1(C)CCCc2sc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)nc21 ZINC000584087066 567010419 /nfs/dbraw/zinc/01/04/19/567010419.db2.gz OEIYZAKLRCWZJI-UHFFFAOYSA-N -1 3 399.563 3.126 20 0 GGADHM O=S(=O)([N-]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1Cl ZINC000520521769 567010545 /nfs/dbraw/zinc/01/05/45/567010545.db2.gz QXUMMELFNBIJAY-UHFFFAOYSA-N -1 3 392.235 3.382 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000452743632 567010661 /nfs/dbraw/zinc/01/06/61/567010661.db2.gz BAVQWUXLMCLJCJ-UHFFFAOYSA-N -1 3 397.313 3.437 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)CCNC(=O)C1CCCCC1 ZINC000452744444 567010823 /nfs/dbraw/zinc/01/08/23/567010823.db2.gz CBUWPIIXVXTVGR-UHFFFAOYSA-N -1 3 383.286 3.488 20 0 GGADHM Cc1c([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cnn1C1CCOCC1 ZINC000564830442 567010867 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COC[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1cccc(OC)c1 ZINC000657108066 567015628 /nfs/dbraw/zinc/01/56/28/567015628.db2.gz ODALSTVOZQGIHA-KRWDZBQOSA-N -1 3 387.860 3.295 20 0 GGADHM CC(=O)N1CCC(CCC(=O)Nc2c([O-])ccc(Br)c2C)CC1 ZINC000452759728 567015640 /nfs/dbraw/zinc/01/56/40/567015640.db2.gz VAVAGBLOEPMJIG-UHFFFAOYSA-N -1 3 383.286 3.440 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1cccc(OC)c1 ZINC000657108067 567015867 /nfs/dbraw/zinc/01/58/67/567015867.db2.gz ODALSTVOZQGIHA-QGZVFWFLSA-N -1 3 387.860 3.295 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1cccc(OC)c1 ZINC000657107658 567015936 /nfs/dbraw/zinc/01/59/36/567015936.db2.gz DKCVCZICSFPLHG-ZBFHGGJFSA-N -1 3 377.453 3.128 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1cccc(OC)c1 ZINC000657108760 567016175 /nfs/dbraw/zinc/01/61/75/567016175.db2.gz LEXRVVITFAPPKY-INIZCTEOSA-N -1 3 385.869 3.023 20 0 GGADHM CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)OC ZINC000520664966 567016915 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20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCC2CCC2)s1 ZINC000657157341 567027790 /nfs/dbraw/zinc/02/77/90/567027790.db2.gz OABCKGRHZPAOTN-UHFFFAOYSA-N -1 3 386.583 3.312 20 0 GGADHM CC(C)c1cc(Br)ccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000545205375 567028979 /nfs/dbraw/zinc/02/89/79/567028979.db2.gz HSTOJARQWDXMKP-UHFFFAOYSA-N -1 3 379.258 3.386 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[nH]cn1 ZINC000545212615 567029522 /nfs/dbraw/zinc/02/95/22/567029522.db2.gz LAPRFPZTNFFPML-LBPRGKRZSA-N -1 3 378.454 3.028 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)s1 ZINC000682084789 567029784 /nfs/dbraw/zinc/02/97/84/567029784.db2.gz REGNGJUNAHJCNJ-GXSJLCMTSA-N -1 3 386.461 3.201 20 0 GGADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000584282501 567029757 /nfs/dbraw/zinc/02/97/57/567029757.db2.gz UVCOKCVSSCYAQK-MEDUHNTESA-N -1 3 385.844 3.308 20 0 GGADHM CN(Cc1cc(Br)ccc1C(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000584296691 567029961 /nfs/dbraw/zinc/02/99/61/567029961.db2.gz DGSHFPAXCJTTFP-CQSZACIVSA-N -1 3 392.249 3.419 20 0 GGADHM O=C(Cc1cncc([O-])c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000584301621 567030793 /nfs/dbraw/zinc/03/07/93/567030793.db2.gz YZJKLQXDDOKBHE-INIZCTEOSA-N -1 3 390.281 3.195 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@H]2CCCCS2)cc(C(F)(F)F)c1 ZINC000472502981 567031165 /nfs/dbraw/zinc/03/11/65/567031165.db2.gz QIJYCRXUTNOADX-CYBMUJFWSA-N -1 3 396.456 3.092 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000613341001 567031597 /nfs/dbraw/zinc/03/15/97/567031597.db2.gz AFVVIIAPRRVMCD-UHFFFAOYSA-N -1 3 399.208 3.470 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000545219153 567031632 /nfs/dbraw/zinc/03/16/32/567031632.db2.gz VSKWZJIXNMYJSR-JKSUJKDBSA-N -1 3 394.320 3.486 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472507325 567032348 /nfs/dbraw/zinc/03/23/48/567032348.db2.gz URDULWSUARVQFO-ZDUSSCGKSA-N -1 3 398.472 3.291 20 0 GGADHM C[C@@]1(c2ccc(CNCc3cccc(Cl)c3Cl)cc2)NC(=O)[N-]C1=O ZINC000520963648 567032383 /nfs/dbraw/zinc/03/23/83/567032383.db2.gz VURQTCBNUYRHNX-SFHVURJKSA-N -1 3 378.259 3.338 20 0 GGADHM CC[C@H](CSC)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472507309 567032816 /nfs/dbraw/zinc/03/28/16/567032816.db2.gz URDULWSUARVQFO-CYBMUJFWSA-N -1 3 398.472 3.291 20 0 GGADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccsc3Cl)cc3c2N1CCC3 ZINC000682152828 567033950 /nfs/dbraw/zinc/03/39/50/567033950.db2.gz YXDHCNZUPOVQBS-UHFFFAOYSA-N -1 3 382.894 3.428 20 0 GGADHM O=S(=O)([N-]CCCSc1ccccc1)c1cncc(Br)c1 ZINC000520984667 567034725 /nfs/dbraw/zinc/03/47/25/567034725.db2.gz CXLSCSKQRFUCKO-UHFFFAOYSA-N -1 3 387.324 3.305 20 0 GGADHM CSc1ccnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000565066568 567035774 /nfs/dbraw/zinc/03/57/74/567035774.db2.gz ACKUHGUBEJABAF-UHFFFAOYSA-N -1 3 378.885 3.413 20 0 GGADHM C[C@H](CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(F)(F)F ZINC000472586199 567039017 /nfs/dbraw/zinc/03/90/17/567039017.db2.gz NZKMTCCLCRBPSI-SSDOTTSWSA-N -1 3 392.321 3.005 20 0 GGADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC3(C2)CCCC3)cc(C(F)(F)F)c1 ZINC000472588661 567039095 /nfs/dbraw/zinc/03/90/95/567039095.db2.gz KGPKYQDAQGMFDS-UHFFFAOYSA-N -1 3 376.400 3.093 20 0 GGADHM Cc1cc(N2[N-]C(=O)[C@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)nc(C)n1 ZINC000634592041 567039704 /nfs/dbraw/zinc/03/97/04/567039704.db2.gz WAEPRJQDTRZGFB-KRWDZBQOSA-N -1 3 379.247 3.126 20 0 GGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000521070964 567039771 /nfs/dbraw/zinc/03/97/71/567039771.db2.gz WFKTUBDFCGGVDV-BBWFWOEESA-N -1 3 382.298 3.448 20 0 GGADHM COc1cnc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(Br)c1 ZINC000584433846 567042346 /nfs/dbraw/zinc/04/23/46/567042346.db2.gz RXCQLNZXWGCPQM-UHFFFAOYSA-N -1 3 375.219 3.101 20 0 GGADHM CC1(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000521138637 567043945 /nfs/dbraw/zinc/04/39/45/567043945.db2.gz SXLGIQBIRPVKSH-UHFFFAOYSA-N -1 3 379.309 3.111 20 0 GGADHM CC(C)(C)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000584442068 567044102 /nfs/dbraw/zinc/04/41/02/567044102.db2.gz SIGLMWTVWKCHDC-AWEZNQCLSA-N -1 3 378.519 3.203 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000584458541 567045356 /nfs/dbraw/zinc/04/53/56/567045356.db2.gz JXCHFXXPTVMFEN-LUYZLQTOSA-N -1 3 385.913 3.222 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)CSc1ccc(C)cc1 ZINC000472696267 567045935 /nfs/dbraw/zinc/04/59/35/567045935.db2.gz YUHITCQHKKYGTK-LBPRGKRZSA-N -1 3 385.532 3.302 20 0 GGADHM CCOc1cc(Br)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565182679 567046369 /nfs/dbraw/zinc/04/63/69/567046369.db2.gz RAGSMPJLSJCCCY-UHFFFAOYSA-N -1 3 378.226 3.473 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CSc2ccc(C)cc2)c(C)o1 ZINC000472697324 567046455 /nfs/dbraw/zinc/04/64/55/567046455.db2.gz GRPNLXFRIPWOQM-GFCCVEGCSA-N -1 3 383.491 3.142 20 0 GGADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)c1 ZINC000634658052 567046808 /nfs/dbraw/zinc/04/68/08/567046808.db2.gz NZRLHIYLSIGCLA-UHFFFAOYSA-N -1 3 381.885 3.346 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)c(C)o1 ZINC000472754064 567049914 /nfs/dbraw/zinc/04/99/14/567049914.db2.gz REOZEHDNBFRQIF-UHFFFAOYSA-N -1 3 389.832 3.381 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000682486201 567050028 /nfs/dbraw/zinc/05/00/28/567050028.db2.gz PGAUGOQZCQOZSI-JQWIXIFHSA-N -1 3 383.844 3.220 20 0 GGADHM CN(C)CCOc1ccc(CNC(=O)c2cccc(Br)c2[O-])cc1 ZINC000521246937 567050219 /nfs/dbraw/zinc/05/02/19/567050219.db2.gz RBIOSJUQFKMCAX-UHFFFAOYSA-N -1 3 393.281 3.025 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)s1 ZINC000431063905 567050871 /nfs/dbraw/zinc/05/08/71/567050871.db2.gz BKKCFRVVLCVTEB-UHFFFAOYSA-N -1 3 379.438 3.256 20 0 GGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)NCCOC)c(Cl)c1 ZINC000521254823 567050975 /nfs/dbraw/zinc/05/09/75/567050975.db2.gz QJVQYGUNEWHBNR-CYBMUJFWSA-N -1 3 376.906 3.037 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)ccc2F)N(C)C)cc1 ZINC000565258757 567051732 /nfs/dbraw/zinc/05/17/32/567051732.db2.gz MYVZAIZVZPCRBR-KRWDZBQOSA-N -1 3 382.526 3.437 20 0 GGADHM Cc1cc(OC[C@H](O)CN2CCSC[C@H]2C(=O)[O-])c(C(C)C)cc1Cl ZINC000565252753 567051916 /nfs/dbraw/zinc/05/19/16/567051916.db2.gz CXOUUSSSJSDFIX-CJNGLKHVSA-N -1 3 387.929 3.014 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000431073007 567051956 /nfs/dbraw/zinc/05/19/56/567051956.db2.gz VEUDMTHKEALFIV-AWEZNQCLSA-N -1 3 385.580 3.265 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)N(C)C)cc1 ZINC000565258755 567052155 /nfs/dbraw/zinc/05/21/55/567052155.db2.gz MPZTXZIYVKGWCU-QGZVFWFLSA-N -1 3 386.489 3.268 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccc(F)cc3)c2)s1 ZINC000431085919 567052317 /nfs/dbraw/zinc/05/23/17/567052317.db2.gz PHSNOHFXYWMXLQ-UHFFFAOYSA-N -1 3 379.438 3.256 20 0 GGADHM COc1ccc(CNC[C@@H](O)CCc2ccccc2)c(Br)c1[O-] ZINC000545470362 567053788 /nfs/dbraw/zinc/05/37/88/567053788.db2.gz KBDTWJHBWBQVAT-HNNXBMFYSA-N -1 3 380.282 3.247 20 0 GGADHM CSc1nnc(NC(=O)CCCCOc2ccc(Br)cc2)[n-]1 ZINC000521298319 567054022 /nfs/dbraw/zinc/05/40/22/567054022.db2.gz ORGCBRVBTUNBOW-UHFFFAOYSA-N -1 3 385.287 3.477 20 0 GGADHM CSc1n[n-]c(NC(=O)CCCCOc2ccc(Br)cc2)n1 ZINC000521298319 567054031 /nfs/dbraw/zinc/05/40/31/567054031.db2.gz ORGCBRVBTUNBOW-UHFFFAOYSA-N -1 3 385.287 3.477 20 0 GGADHM CSc1nc(NC(=O)CCCCOc2ccc(Br)cc2)n[n-]1 ZINC000521298319 567054036 /nfs/dbraw/zinc/05/40/36/567054036.db2.gz ORGCBRVBTUNBOW-UHFFFAOYSA-N -1 3 385.287 3.477 20 0 GGADHM COc1ccc(CNC[C@H](O)CCc2ccccc2)c(Br)c1[O-] ZINC000545470363 567054350 /nfs/dbraw/zinc/05/43/50/567054350.db2.gz KBDTWJHBWBQVAT-OAHLLOKOSA-N -1 3 380.282 3.247 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c1 ZINC000545470974 567054689 /nfs/dbraw/zinc/05/46/89/567054689.db2.gz VHEYENTVALMGDD-CQSZACIVSA-N -1 3 396.262 3.064 20 0 GGADHM CN(C)Cc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000545490795 567056046 /nfs/dbraw/zinc/05/60/46/567056046.db2.gz RFUGAZAOEVHRMU-UHFFFAOYSA-N -1 3 396.228 3.311 20 0 GGADHM CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC000613705499 567057156 /nfs/dbraw/zinc/05/71/56/567057156.db2.gz MHJVCBAMXFQIQX-UHFFFAOYSA-N -1 3 398.282 3.387 20 0 GGADHM CSc1ccc(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)cc1 ZINC000584586314 567058113 /nfs/dbraw/zinc/05/81/13/567058113.db2.gz UBTWJOZRAXRCEU-CYBMUJFWSA-N -1 3 398.322 3.406 20 0 GGADHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000495400143 567058535 /nfs/dbraw/zinc/05/85/35/567058535.db2.gz UYQFCLKANCTBQX-CQSZACIVSA-N -1 3 386.926 3.337 20 0 GGADHM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)CCOC1 ZINC000634789336 567060021 /nfs/dbraw/zinc/06/00/21/567060021.db2.gz JFUSCGOIGGJLMH-OAHLLOKOSA-N -1 3 381.416 3.117 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccnn1C ZINC000682617229 567063751 /nfs/dbraw/zinc/06/37/51/567063751.db2.gz IKYZPWPIDINXLU-AWEZNQCLSA-N -1 3 376.309 3.445 20 0 GGADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c1Cl ZINC000431181208 567064014 /nfs/dbraw/zinc/06/40/14/567064014.db2.gz LICUTFHJKPASTO-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccnn1C ZINC000682617233 567064142 /nfs/dbraw/zinc/06/41/42/567064142.db2.gz IKYZPWPIDINXLU-CQSZACIVSA-N -1 3 376.309 3.445 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC(O)(CC)CC ZINC000682618264 567064245 /nfs/dbraw/zinc/06/42/45/567064245.db2.gz HPPCFAOWDFVDTI-UHFFFAOYSA-N -1 3 394.331 3.067 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnn1C ZINC000682617788 567064352 /nfs/dbraw/zinc/06/43/52/567064352.db2.gz PDCGKSLHVXMIDW-LBPRGKRZSA-N -1 3 376.309 3.445 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@@H]2CCCc3ccccc32)no1)c1cccs1 ZINC000545582461 567064688 /nfs/dbraw/zinc/06/46/88/567064688.db2.gz ZVNHUFRTRVPYEA-CQSZACIVSA-N -1 3 375.475 3.078 20 0 GGADHM CCc1ncncc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000521529401 567065158 /nfs/dbraw/zinc/06/51/58/567065158.db2.gz VYFKZKQVGNRTDN-UHFFFAOYSA-N -1 3 390.216 3.005 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCCCCC2)cc1Cl ZINC000521556553 567065222 /nfs/dbraw/zinc/06/52/22/567065222.db2.gz GXROZECRHJDMDP-UHFFFAOYSA-N -1 3 381.325 3.156 20 0 GGADHM O=S(=O)([N-]Cc1nc([C@H]2CCCc3ccccc32)no1)c1cccs1 ZINC000545582458 567065408 /nfs/dbraw/zinc/06/54/08/567065408.db2.gz ZVNHUFRTRVPYEA-AWEZNQCLSA-N -1 3 375.475 3.078 20 0 GGADHM Cc1nc(C[N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)sc1Br ZINC000521586901 567067097 /nfs/dbraw/zinc/06/70/97/567067097.db2.gz XZCZJDMZPZTATI-NWDGAFQWSA-N -1 3 387.324 3.190 20 0 GGADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1Cl ZINC000521571393 567067759 /nfs/dbraw/zinc/06/77/59/567067759.db2.gz QNPMAPOZWIVQFB-SNVBAGLBSA-N -1 3 380.853 3.423 20 0 GGADHM C[C@@H]1CCSCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473222985 567068749 /nfs/dbraw/zinc/06/87/49/567068749.db2.gz BBXWOSYVPNQZHH-SNVBAGLBSA-N -1 3 396.456 3.045 20 0 GGADHM C[C@H]1CCSCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473222983 567069166 /nfs/dbraw/zinc/06/91/66/567069166.db2.gz BBXWOSYVPNQZHH-JTQLQIEISA-N -1 3 396.456 3.045 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)COc2c(C)cccc2C)sc1Cl ZINC000682726092 567069325 /nfs/dbraw/zinc/06/93/25/567069325.db2.gz RDGPUZFPHBUVKM-ZDUSSCGKSA-N -1 3 389.926 3.045 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CN2CCCCC2)c2ccccc2)s1 ZINC000682724576 567069486 /nfs/dbraw/zinc/06/94/86/567069486.db2.gz BASCGSJHIPDMEV-QGZVFWFLSA-N -1 3 379.551 3.265 20 0 GGADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000682726395 567069668 /nfs/dbraw/zinc/06/96/68/567069668.db2.gz OIAPHFDWGHAJFK-UHFFFAOYSA-N -1 3 375.899 3.466 20 0 GGADHM O=S(=O)([N-][C@@H](CN1CCCCC1)c1ccccc1)c1cncc(Cl)c1 ZINC000682726497 567069731 /nfs/dbraw/zinc/06/97/31/567069731.db2.gz NPVVBIAYPPAGNS-SFHVURJKSA-N -1 3 379.913 3.241 20 0 GGADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cc(C(F)(F)F)ccc1F ZINC000431273655 567070389 /nfs/dbraw/zinc/07/03/89/567070389.db2.gz CLPOMPSGMRNRSB-UHFFFAOYSA-N -1 3 375.343 3.353 20 0 GGADHM C[C@H]1CC[C@@H](N(C)C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000473237407 567070459 /nfs/dbraw/zinc/07/04/59/567070459.db2.gz VXMSJNLMNAXKHD-IINYFYTJSA-N -1 3 378.416 3.338 20 0 GGADHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cs1 ZINC000682730024 567071304 /nfs/dbraw/zinc/07/13/04/567071304.db2.gz KEWKTECRQBQMLU-UHFFFAOYSA-N -1 3 384.285 3.134 20 0 GGADHM CC[C@@]([N-]S(=O)(=O)Cc1cccc(Cl)c1)(C(=O)OC)c1ccccc1 ZINC000584802151 567071954 /nfs/dbraw/zinc/07/19/54/567071954.db2.gz OYPOVOITSQYJHT-SFHVURJKSA-N -1 3 381.881 3.238 20 0 GGADHM CCS(=O)(=O)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000473285611 567072438 /nfs/dbraw/zinc/07/24/38/567072438.db2.gz WTCGSVITEOGTTO-UHFFFAOYSA-N -1 3 385.482 3.026 20 0 GGADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000521647544 567072596 /nfs/dbraw/zinc/07/25/96/567072596.db2.gz DMOIPRQDFSITTF-ZNMIVQPWSA-N -1 3 391.892 3.457 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)s1 ZINC000431311765 567073719 /nfs/dbraw/zinc/07/37/19/567073719.db2.gz ZPORZYSOOCJPOF-UHFFFAOYSA-N -1 3 388.308 3.328 20 0 GGADHM CCOC(=O)c1cc(NCc2ccc(OC)c([O-])c2Br)cn1C ZINC000565509402 567073926 /nfs/dbraw/zinc/07/39/26/567073926.db2.gz XGIOXBLQDCAZEI-UHFFFAOYSA-N -1 3 383.242 3.291 20 0 GGADHM Cc1ccc(CN(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)nc1 ZINC000682815724 567074070 /nfs/dbraw/zinc/07/40/70/567074070.db2.gz IONKWYBFKPHPFT-UHFFFAOYSA-N -1 3 386.249 3.266 20 0 GGADHM COc1ccc(N2C[C@H](NCc3cccc([O-])c3Br)CC2=O)cc1 ZINC000657604685 567074810 /nfs/dbraw/zinc/07/48/10/567074810.db2.gz XZWYINUMWISEEY-CYBMUJFWSA-N -1 3 391.265 3.058 20 0 GGADHM CCc1noc(C)c1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000565557956 567077248 /nfs/dbraw/zinc/07/72/48/567077248.db2.gz ZWNRFPQFBPHFKG-UHFFFAOYSA-N -1 3 390.237 3.079 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)[nH]c1=O ZINC000682871598 567077692 /nfs/dbraw/zinc/07/76/92/567077692.db2.gz BLUQHEKJUZRFJR-UHFFFAOYSA-N -1 3 387.255 3.058 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccncc2Br)ccc1C(F)(F)F ZINC000584872761 567077685 /nfs/dbraw/zinc/07/76/85/567077685.db2.gz WKCGNFMVYJHZPQ-UHFFFAOYSA-N -1 3 395.200 3.394 20 0 GGADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000521767748 567077886 /nfs/dbraw/zinc/07/78/86/567077886.db2.gz VKBVEBSYDVFZCS-UHFFFAOYSA-N -1 3 399.310 3.109 20 0 GGADHM C[C@@]1(c2ccc(CNCc3ccc(Cl)cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000521833159 567081105 /nfs/dbraw/zinc/08/11/05/567081105.db2.gz TYKXGEYMHNEXNC-SFHVURJKSA-N -1 3 378.259 3.338 20 0 GGADHM Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000497113746 567085064 /nfs/dbraw/zinc/08/50/64/567085064.db2.gz IUOFKAALHXZABK-UHFFFAOYSA-N -1 3 392.188 3.035 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000545890513 567085304 /nfs/dbraw/zinc/08/53/04/567085304.db2.gz LTSYLCQBKWTZSX-GOEBONIOSA-N -1 3 379.551 3.037 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CC2CC2)c(Br)c1 ZINC000497212095 567086803 /nfs/dbraw/zinc/08/68/03/567086803.db2.gz BKCSOPRKUOCNFJ-SNVBAGLBSA-N -1 3 390.299 3.093 20 0 GGADHM Cc1cc(C)c(S(=O)(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000431528387 567088358 /nfs/dbraw/zinc/08/83/58/567088358.db2.gz LXVQXOSZDNNGGQ-UHFFFAOYSA-N -1 3 376.297 3.312 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCO[C@@H]1C1CC1 ZINC000545927286 567089016 /nfs/dbraw/zinc/08/90/16/567089016.db2.gz RDXYNRQNMHXKFS-HUUCEWRRSA-N -1 3 392.290 3.072 20 0 GGADHM Cc1cc(Br)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000453557668 567090465 /nfs/dbraw/zinc/09/04/65/567090465.db2.gz BXTXXMWPFORIKM-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)s1 ZINC000585808518 567091562 /nfs/dbraw/zinc/09/15/62/567091562.db2.gz VADRTORVBZXDJO-VIFPVBQESA-N -1 3 390.889 3.216 20 0 GGADHM CN(Cc1ccc(Br)cc1Cl)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000683041015 567093292 /nfs/dbraw/zinc/09/32/92/567093292.db2.gz MDIDAIAMJDWIFV-UHFFFAOYSA-N -1 3 396.676 3.117 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000431590941 567094484 /nfs/dbraw/zinc/09/44/84/567094484.db2.gz XXYHXWHNJXAYFU-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC000431580585 567094687 /nfs/dbraw/zinc/09/46/87/567094687.db2.gz WPUKQWRXLBCAIM-HNNXBMFYSA-N -1 3 379.503 3.315 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C)nc3c(F)c(F)ccc23)s1 ZINC000683077476 567094920 /nfs/dbraw/zinc/09/49/20/567094920.db2.gz KVFXFHWJYFYKIG-UHFFFAOYSA-N -1 3 383.445 3.403 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC000431580586 567094921 /nfs/dbraw/zinc/09/49/21/567094921.db2.gz WPUKQWRXLBCAIM-OAHLLOKOSA-N -1 3 379.503 3.315 20 0 GGADHM O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000522038491 567095056 /nfs/dbraw/zinc/09/50/56/567095056.db2.gz ZZTGNNTXDFKOAD-UHFFFAOYSA-N -1 3 379.243 3.297 20 0 GGADHM COc1ccncc1C[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000431609007 567095835 /nfs/dbraw/zinc/09/58/35/567095835.db2.gz ZKSUVUMDJLIBGF-UHFFFAOYSA-N -1 3 380.775 3.241 20 0 GGADHM CC[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000522053752 567096480 /nfs/dbraw/zinc/09/64/80/567096480.db2.gz IGTMAGQUGCAWGE-LBPRGKRZSA-N -1 3 378.460 3.283 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431615127 567096415 /nfs/dbraw/zinc/09/64/15/567096415.db2.gz UINSHOYRUMTLLH-AWEZNQCLSA-N -1 3 389.807 3.411 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000614250345 567097489 /nfs/dbraw/zinc/09/74/89/567097489.db2.gz AESBFUWTBQBKKG-UHFFFAOYSA-N -1 3 380.535 3.164 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683143653 567097566 /nfs/dbraw/zinc/09/75/66/567097566.db2.gz AWDHCZRFMOBKHS-LLVKDONJSA-N -1 3 395.750 3.255 20 0 GGADHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000431626063 567097836 /nfs/dbraw/zinc/09/78/36/567097836.db2.gz SNVQBKFPYZEFGE-NSHDSACASA-N -1 3 381.325 3.133 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)s1 ZINC000683144509 567098099 /nfs/dbraw/zinc/09/80/99/567098099.db2.gz NBFKPKXQDHAPSY-UWVGGRQHSA-N -1 3 386.461 3.345 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)s1 ZINC000683144510 567098545 /nfs/dbraw/zinc/09/85/45/567098545.db2.gz NBFKPKXQDHAPSY-VHSXEESVSA-N -1 3 386.461 3.345 20 0 GGADHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)cn1 ZINC000522135288 567099381 /nfs/dbraw/zinc/09/93/81/567099381.db2.gz GUIFXDAVTCHDBO-SNVBAGLBSA-N -1 3 390.278 3.405 20 0 GGADHM COCC1(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000565793602 567099408 /nfs/dbraw/zinc/09/94/08/567099408.db2.gz WXSGAQBMZPQNCZ-UHFFFAOYSA-N -1 3 393.281 3.227 20 0 GGADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc(OC)c1 ZINC000683173850 567100768 /nfs/dbraw/zinc/10/07/68/567100768.db2.gz LQBXDPJGYOCGOO-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1nc2c(s1)CCC2 ZINC000683173302 567101436 /nfs/dbraw/zinc/10/14/36/567101436.db2.gz KDVIQSOJBUVZFC-ZDUSSCGKSA-N -1 3 381.295 3.180 20 0 GGADHM COc1ccc(Br)c(CNC[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000683171289 567101544 /nfs/dbraw/zinc/10/15/44/567101544.db2.gz ILASDAVBGORGAN-HNNXBMFYSA-N -1 3 378.266 3.491 20 0 GGADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546070541 567102389 /nfs/dbraw/zinc/10/23/89/567102389.db2.gz BCYWKPQEJWMNHV-QMMMGPOBSA-N -1 3 378.219 3.229 20 0 GGADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@]12CCCO2 ZINC000546075694 567102991 /nfs/dbraw/zinc/10/29/91/567102991.db2.gz NYLINEOBBVLZGL-XHSDSOJGSA-N -1 3 394.320 3.139 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000683196252 567103986 /nfs/dbraw/zinc/10/39/86/567103986.db2.gz YELUITNQQXEVQI-UHFFFAOYSA-N -1 3 396.734 3.465 20 0 GGADHM CS(=O)(=O)[N-]c1cc(NC(=O)c2c(Cl)cncc2Cl)ccc1F ZINC000431736625 567104352 /nfs/dbraw/zinc/10/43/52/567104352.db2.gz OUDSVDJQNHSPLF-UHFFFAOYSA-N -1 3 378.212 3.151 20 0 GGADHM O=C(NCc1cc2c(c(Br)c1)OCO2)c1cc([O-])ccc1Cl ZINC000431747520 567105277 /nfs/dbraw/zinc/10/52/77/567105277.db2.gz ZUQMJURQPTVSNV-UHFFFAOYSA-N -1 3 384.613 3.467 20 0 GGADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093461 567105859 /nfs/dbraw/zinc/10/58/59/567105859.db2.gz CVTMKCHXWJFZKO-GXTWGEPZSA-N -1 3 399.310 3.156 20 0 GGADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(C)c(Cl)s3)C2)c1 ZINC000473856940 567108657 /nfs/dbraw/zinc/10/86/57/567108657.db2.gz MUTLUJJEGHNVCO-LBPRGKRZSA-N -1 3 386.926 3.276 20 0 GGADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)o1 ZINC000497552500 567109698 /nfs/dbraw/zinc/10/96/98/567109698.db2.gz CLKAWJVGBYYQAE-UHFFFAOYSA-N -1 3 384.385 3.337 20 0 GGADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(F)cc1 ZINC000473862735 567109838 /nfs/dbraw/zinc/10/98/38/567109838.db2.gz FKPXWKNDGZIQBD-GFCCVEGCSA-N -1 3 391.873 3.432 20 0 GGADHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c2ccccc21 ZINC000546172157 567110832 /nfs/dbraw/zinc/11/08/32/567110832.db2.gz KRPVIAYWYVKCPM-AWEZNQCLSA-N -1 3 384.226 3.194 20 0 GGADHM Cc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC000565928141 567111582 /nfs/dbraw/zinc/11/15/82/567111582.db2.gz JFVVECOXVZJPDA-UHFFFAOYSA-N -1 3 381.704 3.346 20 0 GGADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccc(Br)c(F)c1 ZINC000546183905 567112707 /nfs/dbraw/zinc/11/27/07/567112707.db2.gz CYTKDTWXBMKQOT-LLVKDONJSA-N -1 3 380.279 3.216 20 0 GGADHM CN1C(=O)N(Cc2ccc([O-])c(Br)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431864975 567113400 /nfs/dbraw/zinc/11/34/00/567113400.db2.gz MICXIGQCXXTNJY-HNNXBMFYSA-N -1 3 389.249 3.160 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1cccs1 ZINC000588110480 567113537 /nfs/dbraw/zinc/11/35/37/567113537.db2.gz UJTXRQIDALUOQX-LBPRGKRZSA-N -1 3 375.418 3.268 20 0 GGADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c1O ZINC000588097596 567113753 /nfs/dbraw/zinc/11/37/53/567113753.db2.gz WKDMTZFYVXRVTD-NSHDSACASA-N -1 3 382.825 3.393 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cnc([C@@H]3CCCO3)s2)c1[O-] ZINC000588097596 567113756 /nfs/dbraw/zinc/11/37/56/567113756.db2.gz WKDMTZFYVXRVTD-NSHDSACASA-N -1 3 382.825 3.393 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCOCC(F)(F)C(F)F)c1[O-] ZINC000588096296 567113968 /nfs/dbraw/zinc/11/39/68/567113968.db2.gz XLNCXBPYQHHGGD-UHFFFAOYSA-N -1 3 387.713 3.078 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(F)cccc1F ZINC000522373003 567114305 /nfs/dbraw/zinc/11/43/05/567114305.db2.gz BXYIDXSCFBUGAB-CYBMUJFWSA-N -1 3 392.830 3.339 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c(C)[nH]nc2C(F)(F)F)c1[O-] ZINC000588100063 567114507 /nfs/dbraw/zinc/11/45/07/567114507.db2.gz MCKJBGJAQCTJLU-UHFFFAOYSA-N -1 3 377.706 3.135 20 0 GGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCSCc2ccccn2)c1[O-] ZINC000588100156 567114579 /nfs/dbraw/zinc/11/45/79/567114579.db2.gz QXUFNDWQDCOYAT-UHFFFAOYSA-N -1 3 380.853 3.489 20 0 GGADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)N(C)C ZINC000473916716 567114689 /nfs/dbraw/zinc/11/46/89/567114689.db2.gz UVNVPJHPFBZUFV-ZDUSSCGKSA-N -1 3 388.942 3.300 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Br)C1CCCCC1 ZINC000473908338 567114695 /nfs/dbraw/zinc/11/46/95/567114695.db2.gz FMALRYJNXHEECJ-ZDUSSCGKSA-N -1 3 395.388 3.299 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)N(C)C)c2ccccc2)sc1Cl ZINC000473912066 567114729 /nfs/dbraw/zinc/11/47/29/567114729.db2.gz MAPTVJUFLUIBLE-ZDUSSCGKSA-N -1 3 386.926 3.208 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)N(C)C)c1 ZINC000473914636 567114793 /nfs/dbraw/zinc/11/47/93/567114793.db2.gz ZPEDXBYDOAZMCS-AWEZNQCLSA-N -1 3 388.942 3.300 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCc2ccn(-c3ccccc3)n2)sc1Cl ZINC000473915905 567114879 /nfs/dbraw/zinc/11/48/79/567114879.db2.gz NLKQAJQVZPQGBK-UHFFFAOYSA-N -1 3 381.910 3.417 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000546244864 567117444 /nfs/dbraw/zinc/11/74/44/567117444.db2.gz FXPDGPOQTWBQPF-UHFFFAOYSA-N -1 3 378.281 3.187 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CN2CCCCC2)c(Cl)c1Cl ZINC000473940632 567117815 /nfs/dbraw/zinc/11/78/15/567117815.db2.gz OXWQINTWXAOMDA-NSHDSACASA-N -1 3 381.325 3.155 20 0 GGADHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000522435134 567118144 /nfs/dbraw/zinc/11/81/44/567118144.db2.gz DRAVPUHMZJOFLJ-LBPRGKRZSA-N -1 3 395.388 3.444 20 0 GGADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000588175132 567118546 /nfs/dbraw/zinc/11/85/46/567118546.db2.gz SDUNDYFHRMYMAY-UHFFFAOYSA-N -1 3 381.295 3.163 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000588173058 567118778 /nfs/dbraw/zinc/11/87/78/567118778.db2.gz IWCCRSJXGFCSKM-MWLCHTKSSA-N -1 3 382.707 3.338 20 0 GGADHM COc1ccc(CN2CCN(Cc3ccco3)CC2)c(Br)c1[O-] ZINC000546256623 567118639 /nfs/dbraw/zinc/11/86/39/567118639.db2.gz QYSIFZPILZLSOJ-UHFFFAOYSA-N -1 3 381.270 3.074 20 0 GGADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000522549063 567119337 /nfs/dbraw/zinc/11/93/37/567119337.db2.gz XUMATJNHFATFNQ-UHFFFAOYSA-N -1 3 399.925 3.203 20 0 GGADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000566011378 567119221 /nfs/dbraw/zinc/11/92/21/567119221.db2.gz RPWDVBXDTDZRTH-LLVKDONJSA-N -1 3 380.286 3.308 20 0 GGADHM COc1ccc(CN2CCCN(CC(F)(F)F)CC2)c(Br)c1[O-] ZINC000546268943 567120408 /nfs/dbraw/zinc/12/04/08/567120408.db2.gz NVZIYDPJKAUGRB-UHFFFAOYSA-N -1 3 397.235 3.233 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)c(Cl)c1 ZINC000522620268 567121378 /nfs/dbraw/zinc/12/13/78/567121378.db2.gz XEDGIKXLAQIOSO-UHFFFAOYSA-N -1 3 392.235 3.478 20 0 GGADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000497775079 567122956 /nfs/dbraw/zinc/12/29/56/567122956.db2.gz XJUSDJUBTIGLJA-BZUAXINKSA-N -1 3 384.567 3.064 20 0 GGADHM Cc1ncc(CNC(=O)Nc2cc3c(cc2Br)CCC3)c(=O)[n-]1 ZINC000566077788 567123902 /nfs/dbraw/zinc/12/39/02/567123902.db2.gz QQNIXUABSNNTSH-UHFFFAOYSA-N -1 3 377.242 3.064 20 0 GGADHM COc1cc(Br)ccc1CCCN1CCSC[C@H]1CC(=O)[O-] ZINC000566073091 567124016 /nfs/dbraw/zinc/12/40/16/567124016.db2.gz CVIGKLPRGBRAKR-CQSZACIVSA-N -1 3 388.327 3.282 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)c2ccc(Br)s2)n1 ZINC000636115904 567126158 /nfs/dbraw/zinc/12/61/58/567126158.db2.gz WCTNQJYMBRFMRQ-SECBINFHSA-N -1 3 384.299 3.470 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)c2ccc(Br)cc2)n1 ZINC000636111759 567126177 /nfs/dbraw/zinc/12/61/77/567126177.db2.gz VPJXCSRXKGHYJH-NSHDSACASA-N -1 3 378.270 3.408 20 0 GGADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1ccc(Cl)cc1F ZINC000614613293 567126123 /nfs/dbraw/zinc/12/61/23/567126123.db2.gz UYELOMJIUGPZRG-UHFFFAOYSA-N -1 3 383.876 3.343 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Oc2cccc(Br)c2)n1 ZINC000636115369 567126403 /nfs/dbraw/zinc/12/64/03/567126403.db2.gz OHJUERQOILJLIF-LLVKDONJSA-N -1 3 394.269 3.072 20 0 GGADHM COc1ccccc1-c1csc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)n1 ZINC000497803443 567126570 /nfs/dbraw/zinc/12/65/70/567126570.db2.gz DLEIZNNUMBOJRM-UHFFFAOYSA-N -1 3 378.431 3.068 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCOc2cccc(Br)c2)n1 ZINC000636112773 567126742 /nfs/dbraw/zinc/12/67/42/567126742.db2.gz DZTLEXGUXWXVRZ-UHFFFAOYSA-N -1 3 394.269 3.074 20 0 GGADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000614608263 567126765 /nfs/dbraw/zinc/12/67/65/567126765.db2.gz SKNNUAKIOITCKF-FZMZJTMJSA-N -1 3 394.306 3.462 20 0 GGADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(SC)ccc2[O-])cc1 ZINC000614610862 567126944 /nfs/dbraw/zinc/12/69/44/567126944.db2.gz MKMZAJPADPHUKP-GFCCVEGCSA-N -1 3 379.503 3.399 20 0 GGADHM CCOC(=O)c1ccc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)o1 ZINC000614629532 567128131 /nfs/dbraw/zinc/12/81/31/567128131.db2.gz CIGBQBNATDJSCN-UHFFFAOYSA-N -1 3 379.825 3.491 20 0 GGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccccc1I ZINC000497861542 567128954 /nfs/dbraw/zinc/12/89/54/567128954.db2.gz YJXZCPXRPOLSHE-UHFFFAOYSA-N -1 3 389.196 3.356 20 0 GGADHM O=C(COc1ccc(F)cc1Br)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497871586 567129570 /nfs/dbraw/zinc/12/95/70/567129570.db2.gz FTTFQMQCPSRSMQ-UHFFFAOYSA-N -1 3 390.212 3.418 20 0 GGADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000614639475 567129698 /nfs/dbraw/zinc/12/96/98/567129698.db2.gz SLZUOUXXILJQQV-UHFFFAOYSA-N -1 3 381.322 3.384 20 0 GGADHM COC(=O)[C@H](NCc1ccc(OC)c([O-])c1Br)c1ccccc1F ZINC000614652537 567130258 /nfs/dbraw/zinc/13/02/58/567130258.db2.gz IPTFPXZUAMRHLQ-OAHLLOKOSA-N -1 3 398.228 3.306 20 0 GGADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc21 ZINC000432080269 567130890 /nfs/dbraw/zinc/13/08/90/567130890.db2.gz NRSGQRSPAOMRMP-UHFFFAOYSA-N -1 3 378.793 3.117 20 0 GGADHM Cc1nc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)sc1C ZINC000683543522 567131747 /nfs/dbraw/zinc/13/17/47/567131747.db2.gz UURKBUZUQVRIKM-UHFFFAOYSA-N -1 3 392.282 3.415 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)[C@@H](O)C(F)(F)F ZINC000497950980 567135950 /nfs/dbraw/zinc/13/59/50/567135950.db2.gz OCSXKSUAMVFYGP-GXTWGEPZSA-N -1 3 381.803 3.473 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1ccc(Br)cn1 ZINC000522892011 567136354 /nfs/dbraw/zinc/13/63/54/567136354.db2.gz LEMSVZBBQZLOKL-ZDUSSCGKSA-N -1 3 381.295 3.243 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H](c1cccs1)C1CC1 ZINC000522905008 567136504 /nfs/dbraw/zinc/13/65/04/567136504.db2.gz CUFSEFCDWNNQED-AWEZNQCLSA-N -1 3 390.939 3.009 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H](c1cccs1)C1CC1 ZINC000522905009 567136609 /nfs/dbraw/zinc/13/66/09/567136609.db2.gz CUFSEFCDWNNQED-CQSZACIVSA-N -1 3 390.939 3.009 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474120433 567136944 /nfs/dbraw/zinc/13/69/44/567136944.db2.gz YCQFRDWGPVCLKQ-ONGXEEELSA-N -1 3 396.228 3.051 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(C)c1ccc(Br)cc1)C2 ZINC000636283597 567136968 /nfs/dbraw/zinc/13/69/68/567136968.db2.gz MMPYEYWWJZHEKQ-UHFFFAOYSA-N -1 3 376.254 3.073 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCCc1ccccc1Br)C2 ZINC000636284834 567137556 /nfs/dbraw/zinc/13/75/56/567137556.db2.gz VFEXJRPOHGLIGG-UHFFFAOYSA-N -1 3 376.254 3.118 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c1 ZINC000474117898 567137639 /nfs/dbraw/zinc/13/76/39/567137639.db2.gz XXPLJWSHZFIUQR-ZDUSSCGKSA-N -1 3 396.306 3.466 20 0 GGADHM C[C@H]1CC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474120424 567137697 /nfs/dbraw/zinc/13/76/97/567137697.db2.gz YCQFRDWGPVCLKQ-GXSJLCMTSA-N -1 3 396.228 3.051 20 0 GGADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCCc1ccc(Br)s1)C2 ZINC000636282058 567138268 /nfs/dbraw/zinc/13/82/68/567138268.db2.gz JMDQPQCLNDPKLI-UHFFFAOYSA-N -1 3 382.283 3.180 20 0 GGADHM O=c1cc(-c2noc([C@@H]3C[C@@]34CCc3cc(Br)ccc34)n2)nc[n-]1 ZINC000566217716 567138917 /nfs/dbraw/zinc/13/89/17/567138917.db2.gz VIXQPGHHSOQHHE-YVEFUNNKSA-N -1 3 385.221 3.366 20 0 GGADHM O=S(=O)([N-][C@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1sccc1Cl ZINC000658391535 567138928 /nfs/dbraw/zinc/13/89/28/567138928.db2.gz MWFZMRYFFSFHJZ-HZMBPMFUSA-N -1 3 392.880 3.104 20 0 GGADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)CC23CCC(CC2)CC3)c(Cl)c1 ZINC000432224273 567139469 /nfs/dbraw/zinc/13/94/69/567139469.db2.gz ULVKETXARIQSPD-UHFFFAOYSA-N -1 3 384.929 3.477 20 0 GGADHM Cc1ccc(CCC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(Br)c1 ZINC000636286462 567139449 /nfs/dbraw/zinc/13/94/49/567139449.db2.gz RSIJVHVSYKPQHM-UHFFFAOYSA-N -1 3 376.254 3.037 20 0 GGADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cc(C)ccc2Br)cc1 ZINC000497980658 567139456 /nfs/dbraw/zinc/13/94/56/567139456.db2.gz BNUKQEQUPXFUJI-INIZCTEOSA-N -1 3 398.322 3.332 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000497979150 567139582 /nfs/dbraw/zinc/13/95/82/567139582.db2.gz RCAOYMRGXASLFR-GHMZBOCLSA-N -1 3 380.215 3.282 20 0 GGADHM CSc1cc(Br)ccc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636294398 567139728 /nfs/dbraw/zinc/13/97/28/567139728.db2.gz TYSOIVLDZACYHF-UHFFFAOYSA-N -1 3 380.267 3.131 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1sccc1Br)N1CCCC[C@H]1C ZINC000614799218 567140202 /nfs/dbraw/zinc/14/02/02/567140202.db2.gz HZFFFFFTGHJMBY-MNOVXSKESA-N -1 3 381.361 3.052 20 0 GGADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(F)cc1F ZINC000588840412 567140449 /nfs/dbraw/zinc/14/04/49/567140449.db2.gz UZIYJFWDZOXXQD-UHFFFAOYSA-N -1 3 377.315 3.490 20 0 GGADHM C[C@@H](NC(=O)c1cscc1Br)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824189 567141007 /nfs/dbraw/zinc/14/10/07/567141007.db2.gz DGASVGFOHLMGIG-RKDXNWHRSA-N -1 3 398.282 3.004 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@@H](O)C(F)(F)F ZINC000497983479 567140978 /nfs/dbraw/zinc/14/09/78/567140978.db2.gz NCXCLMZCIAXRPZ-GXTWGEPZSA-N -1 3 381.803 3.473 20 0 GGADHM Cc1sc(C(=O)[N-]c2nc(-c3cccs3)ns2)cc1CS(C)(=O)=O ZINC000497987039 567141176 /nfs/dbraw/zinc/14/11/76/567141176.db2.gz SZMPBTZFUNHACC-UHFFFAOYSA-N -1 3 399.544 3.433 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)s1 ZINC000546598517 567141409 /nfs/dbraw/zinc/14/14/09/567141409.db2.gz IPAMEECYLWDEAD-MAUKXSAKSA-N -1 3 380.535 3.460 20 0 GGADHM C[C@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000614813017 567141398 /nfs/dbraw/zinc/14/13/98/567141398.db2.gz DNWUCCQWWQWJLO-RYUDHWBXSA-N -1 3 395.388 3.157 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)CC2(C)C)cc1 ZINC000474160797 567142076 /nfs/dbraw/zinc/14/20/76/567142076.db2.gz VOMIRRIKINQNEK-AWEZNQCLSA-N -1 3 388.555 3.038 20 0 GGADHM CC1=C(C)C[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000566252393 567142134 /nfs/dbraw/zinc/14/21/34/567142134.db2.gz BKERANDBMGMEPO-OAHLLOKOSA-N -1 3 382.551 3.154 20 0 GGADHM CC1=C(C)C[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000566252392 567142187 /nfs/dbraw/zinc/14/21/87/567142187.db2.gz BKERANDBMGMEPO-HNNXBMFYSA-N -1 3 382.551 3.154 20 0 GGADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1c(F)cc(Br)cc1F ZINC000636319340 567143052 /nfs/dbraw/zinc/14/30/52/567143052.db2.gz NALNOXTVIULZHX-UHFFFAOYSA-N -1 3 398.207 3.420 20 0 GGADHM Cc1cc(C(=O)N=c2[n-]n(C)cc2Br)ccc1NC(=O)CC(C)C ZINC000566264204 567143671 /nfs/dbraw/zinc/14/36/71/567143671.db2.gz ZALCOISZSAZCGW-UHFFFAOYSA-N -1 3 393.285 3.150 20 0 GGADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1ccc(Cl)cc1F ZINC000432276265 567144188 /nfs/dbraw/zinc/14/41/88/567144188.db2.gz HISHCCFPWHOZIS-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(C(C)(F)F)cc1 ZINC000432279545 567144283 /nfs/dbraw/zinc/14/42/83/567144283.db2.gz HMOAVAPEGGPZEW-UHFFFAOYSA-N -1 3 389.445 3.433 20 0 GGADHM O=S(=O)([N-]CC1(c2ccc(Br)cc2)CCC1)c1cncc(F)c1 ZINC000588905453 567144637 /nfs/dbraw/zinc/14/46/37/567144637.db2.gz PVSXKGNLRIXVAD-UHFFFAOYSA-N -1 3 399.285 3.383 20 0 GGADHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cn1)C1CCCC1 ZINC000474192558 567144655 /nfs/dbraw/zinc/14/46/55/567144655.db2.gz BZGYYRRRMZXTEY-AWEZNQCLSA-N -1 3 391.331 3.108 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000474188627 567144881 /nfs/dbraw/zinc/14/48/81/567144881.db2.gz IDZZSBHXHUBCPF-OAHLLOKOSA-N -1 3 390.864 3.034 20 0 GGADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)ccc2s1 ZINC000588901106 567144968 /nfs/dbraw/zinc/14/49/68/567144968.db2.gz IAWAGJOZNGKCIU-MRVPVSSYSA-N -1 3 381.397 3.307 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)cc1Cl)c1cncc(F)c1 ZINC000588905145 567144982 /nfs/dbraw/zinc/14/49/82/567144982.db2.gz FKCRIKRNTYQNFR-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cn1)C1CCCC1 ZINC000474192559 567144959 /nfs/dbraw/zinc/14/49/59/567144959.db2.gz BZGYYRRRMZXTEY-CQSZACIVSA-N -1 3 391.331 3.108 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)s1 ZINC000546634347 567145162 /nfs/dbraw/zinc/14/51/62/567145162.db2.gz STZYFDMGHICFJG-OCCSQVGLSA-N -1 3 394.356 3.303 20 0 GGADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(c2cccc(Br)c2)CCCC1 ZINC000614922212 567146892 /nfs/dbraw/zinc/14/68/92/567146892.db2.gz OAXZAYAWVIPIPN-UHFFFAOYSA-N -1 3 392.297 3.033 20 0 GGADHM COc1ccc(SC)c(OC)c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636356147 567146937 /nfs/dbraw/zinc/14/69/37/567146937.db2.gz WGTXZMXSSRSSBX-JTQLQIEISA-N -1 3 381.479 3.381 20 0 GGADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000636356423 567147092 /nfs/dbraw/zinc/14/70/92/567147092.db2.gz XBJJLTMAROGCBS-GFCCVEGCSA-N -1 3 380.857 3.479 20 0 GGADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1sc2ccccc2c1Br ZINC000614915053 567147309 /nfs/dbraw/zinc/14/73/09/567147309.db2.gz RBJTZBADDSMKIV-UHFFFAOYSA-N -1 3 380.267 3.050 20 0 GGADHM COc1ccc(-c2csc(C[N-]S(=O)(=O)c3cncc(F)c3)c2)cc1 ZINC000474208937 567148607 /nfs/dbraw/zinc/14/86/07/567148607.db2.gz GWWJAYAXRPILPZ-UHFFFAOYSA-N -1 3 378.450 3.436 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C3(c4ccccc4)CC3)cc2N1 ZINC000523297532 567149605 /nfs/dbraw/zinc/14/96/05/567149605.db2.gz XWYKINLVMIQRRA-UHFFFAOYSA-N -1 3 376.865 3.192 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2CCCO[C@H](C)C2)c1Cl ZINC000432318197 567149679 /nfs/dbraw/zinc/14/96/79/567149679.db2.gz QDDCGWYRZHRWFW-CYBMUJFWSA-N -1 3 395.352 3.081 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNc2ncc(Cl)cc2Br)s1 ZINC000683747585 567150105 /nfs/dbraw/zinc/15/01/05/567150105.db2.gz YPUBQYXBNNPIPT-UHFFFAOYSA-N -1 3 396.719 3.079 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000566329123 567150594 /nfs/dbraw/zinc/15/05/94/567150594.db2.gz YSWVVWUTZIGQLA-NWDGAFQWSA-N -1 3 376.400 3.452 20 0 GGADHM CCc1nnc([N-]C(=O)c2cc(I)ccc2F)s1 ZINC000474243696 567151075 /nfs/dbraw/zinc/15/10/75/567151075.db2.gz CODJVIFNAKJCDQ-UHFFFAOYSA-N -1 3 377.182 3.097 20 0 GGADHM C[C@H]1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000546715662 567151155 /nfs/dbraw/zinc/15/11/55/567151155.db2.gz ZVADTMNDXCMCKM-STQMWFEESA-N -1 3 398.575 3.454 20 0 GGADHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C2 ZINC000683760450 567151856 /nfs/dbraw/zinc/15/18/56/567151856.db2.gz LQUVZSANDUQHMZ-OAHLLOKOSA-N -1 3 381.881 3.193 20 0 GGADHM CCCCN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000523412682 567156045 /nfs/dbraw/zinc/15/60/45/567156045.db2.gz RHSCWIVVPGHYTF-UHFFFAOYSA-N -1 3 388.555 3.182 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCC)CC(C)C)cc1 ZINC000523410956 567156067 /nfs/dbraw/zinc/15/60/67/567156067.db2.gz ISPBWXIZDMPXJC-UHFFFAOYSA-N -1 3 390.571 3.285 20 0 GGADHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000546769794 567156623 /nfs/dbraw/zinc/15/66/23/567156623.db2.gz WVZGLNQJLIEOQP-UHFFFAOYSA-N -1 3 396.209 3.430 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000546783538 567159256 /nfs/dbraw/zinc/15/92/56/567159256.db2.gz FOPZCSFAEBRGKJ-UHFFFAOYSA-N -1 3 382.869 3.044 20 0 GGADHM CC(C)CO[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000523504974 567159603 /nfs/dbraw/zinc/15/96/03/567159603.db2.gz CGFHBACPDZOSRR-SNVBAGLBSA-N -1 3 384.249 3.400 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@]12CCCO2 ZINC000546782802 567159869 /nfs/dbraw/zinc/15/98/69/567159869.db2.gz POKCZOOLMOGYNR-BZUAXINKSA-N -1 3 394.320 3.139 20 0 GGADHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000546781568 567160066 /nfs/dbraw/zinc/16/00/66/567160066.db2.gz PIJLCBKXUCUCBR-STQMWFEESA-N -1 3 375.899 3.027 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@]12CCCO2 ZINC000546782803 567160118 /nfs/dbraw/zinc/16/01/18/567160118.db2.gz POKCZOOLMOGYNR-OAGGEKHMSA-N -1 3 394.320 3.139 20 0 GGADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(Cl)cc2)cn1C ZINC000589166003 567160917 /nfs/dbraw/zinc/16/09/17/567160917.db2.gz JFQOWBVUKKKPLE-GOSISDBHSA-N -1 3 375.881 3.450 20 0 GGADHM CC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1nccs1 ZINC000523566375 567162074 /nfs/dbraw/zinc/16/20/74/567162074.db2.gz VDCKKTFCENVTBK-MRXNPFEDSA-N -1 3 399.925 3.285 20 0 GGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615128180 567162474 /nfs/dbraw/zinc/16/24/74/567162474.db2.gz NFMQEVSCGLXUNF-GFCCVEGCSA-N -1 3 397.656 3.497 20 0 GGADHM C[C@@H]1C[C@H]([N-]c2nc3cc(Cl)cc(Cl)c3o2)C(=O)N1c1cnn(C)c1 ZINC000683932814 567162781 /nfs/dbraw/zinc/16/27/81/567162781.db2.gz MNHLIZHBWRHKSR-OQPBUACISA-N -1 3 380.235 3.474 20 0 GGADHM Cc1nc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CCCC2)cn1C ZINC000589167071 567163507 /nfs/dbraw/zinc/16/35/07/567163507.db2.gz NEPDQUHLAKEBRS-UHFFFAOYSA-N -1 3 398.326 3.239 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1cc2cccc(F)c2o1 ZINC000474369378 567163767 /nfs/dbraw/zinc/16/37/67/567163767.db2.gz ANUYPNPMJFJEPU-VIFPVBQESA-N -1 3 383.422 3.460 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)CC2CCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000474367819 567163951 /nfs/dbraw/zinc/16/39/51/567163951.db2.gz FVZAERHNBLCHMQ-CQSZACIVSA-N -1 3 391.320 3.208 20 0 GGADHM COCc1nc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n[n-]1 ZINC000474383446 567165502 /nfs/dbraw/zinc/16/55/02/567165502.db2.gz BPUCIMRWGKAHGC-UHFFFAOYSA-N -1 3 380.779 3.354 20 0 GGADHM CCCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474380752 567165516 /nfs/dbraw/zinc/16/55/16/567165516.db2.gz VGHGPWMDZLVEPV-CYBMUJFWSA-N -1 3 379.309 3.208 20 0 GGADHM COCc1nc(SCc2nc(-c3ccc(Br)s3)no2)n[n-]1 ZINC000474386809 567166410 /nfs/dbraw/zinc/16/64/10/567166410.db2.gz DPYPVBUDLUNPRC-UHFFFAOYSA-N -1 3 388.272 3.117 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000474386533 567166620 /nfs/dbraw/zinc/16/66/20/567166620.db2.gz CVHCUAHHULVSLA-GFCCVEGCSA-N -1 3 384.723 3.442 20 0 GGADHM CCOC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(C)C ZINC000474385596 567166803 /nfs/dbraw/zinc/16/68/03/567166803.db2.gz UFQFHZJRGWRHQU-CYBMUJFWSA-N -1 3 385.507 3.027 20 0 GGADHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C(=O)OC)c(C)c1 ZINC000474388394 567167074 /nfs/dbraw/zinc/16/70/74/567167074.db2.gz DYBJFUAYQPXIEC-UHFFFAOYSA-N -1 3 383.491 3.110 20 0 GGADHM COCc1nc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n[n-]1 ZINC000474408817 567168475 /nfs/dbraw/zinc/16/84/75/567168475.db2.gz MHMMUNDIBVTOEC-UHFFFAOYSA-N -1 3 375.479 3.114 20 0 GGADHM COCc1nc(S[C@@H](C(=O)N2CCSc3ccccc32)C(C)C)n[n-]1 ZINC000474396254 567168722 /nfs/dbraw/zinc/16/87/22/567168722.db2.gz OYVXRXRNWXQJCZ-OAHLLOKOSA-N -1 3 378.523 3.207 20 0 GGADHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000523735339 567168883 /nfs/dbraw/zinc/16/88/83/567168883.db2.gz HIEVICRJMNICCB-UHFFFAOYSA-N -1 3 388.898 3.084 20 0 GGADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(C)C ZINC000523735324 567169011 /nfs/dbraw/zinc/16/90/11/567169011.db2.gz GRSNUZOAVMWXFL-AWEZNQCLSA-N -1 3 384.299 3.223 20 0 GGADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000546889516 567169743 /nfs/dbraw/zinc/16/97/43/567169743.db2.gz ZVHJSWQRYIAQOM-QMMMGPOBSA-N -1 3 390.221 3.467 20 0 GGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000566601327 567171926 /nfs/dbraw/zinc/17/19/26/567171926.db2.gz PBYVKZYMZKTJFC-UHFFFAOYSA-N -1 3 376.873 3.327 20 0 GGADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(I)c([O-])c1 ZINC000546915249 567172324 /nfs/dbraw/zinc/17/23/24/567172324.db2.gz DRMJKYZNBNZLRL-UHFFFAOYSA-N -1 3 393.131 3.218 20 0 GGADHM CCCCNC(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCCC1 ZINC000523827599 567172714 /nfs/dbraw/zinc/17/27/14/567172714.db2.gz ATNVVFYPYOWDET-UHFFFAOYSA-N -1 3 390.908 3.377 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](c3ccccc3)C(C)C)cnc2c1Cl ZINC000432629750 567173588 /nfs/dbraw/zinc/17/35/88/567173588.db2.gz DSWNXOCUEQQPSQ-MRXNPFEDSA-N -1 3 378.885 3.367 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](c3ccccc3)C(C)C)cnc2c1Cl ZINC000432629741 567173746 /nfs/dbraw/zinc/17/37/46/567173746.db2.gz DSWNXOCUEQQPSQ-INIZCTEOSA-N -1 3 378.885 3.367 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(-c2nc(Cc3c(Cl)cccc3Cl)no2)c1 ZINC000546951394 567173753 /nfs/dbraw/zinc/17/37/53/567173753.db2.gz UWCJRBUOBAWDMA-UHFFFAOYSA-N -1 3 399.259 3.401 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)c3ccccc3Cl)cnc2c1Cl ZINC000432630556 567173844 /nfs/dbraw/zinc/17/38/44/567173844.db2.gz FOVQZEONZBWJSQ-VIFPVBQESA-N -1 3 385.276 3.384 20 0 GGADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1ccc(F)cc1Br ZINC000615274536 567174969 /nfs/dbraw/zinc/17/49/69/567174969.db2.gz AXLBLACFAVNLJC-UHFFFAOYSA-N -1 3 394.212 3.387 20 0 GGADHM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c1 ZINC000432645869 567175967 /nfs/dbraw/zinc/17/59/67/567175967.db2.gz QBKLTIXRHUIJQH-UHFFFAOYSA-N -1 3 390.230 3.412 20 0 GGADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000566655250 567176564 /nfs/dbraw/zinc/17/65/64/567176564.db2.gz OVXOMOXZEWVSDK-UHFFFAOYSA-N -1 3 387.816 3.213 20 0 GGADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589888179 567197271 /nfs/dbraw/zinc/19/72/71/567197271.db2.gz DPZGZAINJFFLRT-MWLCHTKSSA-N -1 3 382.707 3.338 20 0 GGADHM Cc1nc(CS(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)cs1 ZINC000684103208 567178590 /nfs/dbraw/zinc/17/85/90/567178590.db2.gz LYATVJRKGLAVFW-KRWDZBQOSA-N -1 3 377.466 3.195 20 0 GGADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000474575465 567179663 /nfs/dbraw/zinc/17/96/63/567179663.db2.gz MLLOVCSMQBZFMM-LBPRGKRZSA-N -1 3 395.750 3.254 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)cc1OC ZINC000684106258 567179843 /nfs/dbraw/zinc/17/98/43/567179843.db2.gz OUFBMZSSDXGZER-UHFFFAOYSA-N -1 3 375.796 3.367 20 0 GGADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)ccn1 ZINC000432675631 567180713 /nfs/dbraw/zinc/18/07/13/567180713.db2.gz CDCHESUYIUNHBZ-LLVKDONJSA-N -1 3 378.841 3.133 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@H]1C ZINC000589512054 567181041 /nfs/dbraw/zinc/18/10/41/567181041.db2.gz JAFNQNLAKUXYDA-NEPJUHHUSA-N -1 3 378.947 3.107 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000474587161 567181148 /nfs/dbraw/zinc/18/11/48/567181148.db2.gz RQFLPXBQILBZIN-ACJLOTCBSA-N -1 3 382.913 3.318 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1ccccc1 ZINC000566704286 567181827 /nfs/dbraw/zinc/18/18/27/567181827.db2.gz NMZOMSWUPDAZNB-UONOGXRCSA-N -1 3 381.416 3.331 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000524120477 567183285 /nfs/dbraw/zinc/18/32/85/567183285.db2.gz MWXVVEZDKAVDCZ-OAHLLOKOSA-N -1 3 388.555 3.039 20 0 GGADHM Cc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)ccc1[O-] ZINC000498527609 567183369 /nfs/dbraw/zinc/18/33/69/567183369.db2.gz RHPPQVIXOFGFFY-UHFFFAOYSA-N -1 3 395.322 3.483 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C)CC2)cc1 ZINC000524120476 567183745 /nfs/dbraw/zinc/18/37/45/567183745.db2.gz MWXVVEZDKAVDCZ-HNNXBMFYSA-N -1 3 388.555 3.039 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cccc(Br)c1 ZINC000615406574 567183678 /nfs/dbraw/zinc/18/36/78/567183678.db2.gz QADSEQKIPZGMFB-UHFFFAOYSA-N -1 3 397.294 3.392 20 0 GGADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1F ZINC000589559573 567183955 /nfs/dbraw/zinc/18/39/55/567183955.db2.gz QQZHYAFYLRVIPF-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM Cc1cc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)nn1C ZINC000524136336 567185459 /nfs/dbraw/zinc/18/54/59/567185459.db2.gz VQHDXNKPFWKHKX-UHFFFAOYSA-N -1 3 394.660 3.209 20 0 GGADHM CCc1c([N-]C(=O)COc2ccc(Br)cn2)onc1C(F)(F)F ZINC000637242554 567186495 /nfs/dbraw/zinc/18/64/95/567186495.db2.gz DMFQMKDTCPNVAT-UHFFFAOYSA-N -1 3 394.147 3.431 20 0 GGADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2c[nH]c3ccc(Cl)cc23)no1 ZINC000547160488 567186493 /nfs/dbraw/zinc/18/64/93/567186493.db2.gz JANYFUFIXIHWAP-UHFFFAOYSA-N -1 3 382.873 3.015 20 0 GGADHM Cc1cc(C)c2c(c1)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC000524172501 567187475 /nfs/dbraw/zinc/18/74/75/567187475.db2.gz OCIOHTZHMQPOTM-UHFFFAOYSA-N -1 3 398.937 3.276 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCSC3)cc2)cc1 ZINC000474665436 567188057 /nfs/dbraw/zinc/18/80/57/567188057.db2.gz XFFYKRNEPKNIGR-CQSZACIVSA-N -1 3 376.503 3.487 20 0 GGADHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000589629860 567188192 /nfs/dbraw/zinc/18/81/92/567188192.db2.gz RKSFFOWIBGLMSI-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM COc1ccc(COCCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000589622321 567188235 /nfs/dbraw/zinc/18/82/35/567188235.db2.gz OTPVZEORDBYCGJ-UHFFFAOYSA-N -1 3 387.860 3.373 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCSC3)cc2)cc1 ZINC000474665435 567188349 /nfs/dbraw/zinc/18/83/49/567188349.db2.gz XFFYKRNEPKNIGR-AWEZNQCLSA-N -1 3 376.503 3.487 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)cc1)c1cc(F)cc(F)c1 ZINC000524224855 567188372 /nfs/dbraw/zinc/18/83/72/567188372.db2.gz PNDJNDXZYICWGX-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)sc1Cl ZINC000566772540 567189178 /nfs/dbraw/zinc/18/91/78/567189178.db2.gz BLJOEKJKWDOUCS-CQSZACIVSA-N -1 3 398.937 3.098 20 0 GGADHM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000524235830 567189155 /nfs/dbraw/zinc/18/91/55/567189155.db2.gz QOCZFOSOGMBHDD-CYBMUJFWSA-N -1 3 399.310 3.290 20 0 GGADHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000589632121 567189952 /nfs/dbraw/zinc/18/99/52/567189952.db2.gz GLLWMTDLXHKUMF-UHFFFAOYSA-N -1 3 375.277 3.492 20 0 GGADHM COc1cc(Br)ccc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000547198487 567189885 /nfs/dbraw/zinc/18/98/85/567189885.db2.gz TWCZNJVZDTXZNT-UHFFFAOYSA-N -1 3 391.225 3.211 20 0 GGADHM CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)[n-]1 ZINC000589692015 567190394 /nfs/dbraw/zinc/19/03/94/567190394.db2.gz MYKNKTCBQUHLQP-ZCFIWIBFSA-N -1 3 391.678 3.349 20 0 GGADHM CSc1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 ZINC000589692015 567190400 /nfs/dbraw/zinc/19/04/00/567190400.db2.gz MYKNKTCBQUHLQP-ZCFIWIBFSA-N -1 3 391.678 3.349 20 0 GGADHM CSc1nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n[n-]1 ZINC000589692015 567190405 /nfs/dbraw/zinc/19/04/05/567190405.db2.gz MYKNKTCBQUHLQP-ZCFIWIBFSA-N -1 3 391.678 3.349 20 0 GGADHM Cc1nnc(-c2ccccc2C(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000432783506 567190421 /nfs/dbraw/zinc/19/04/21/567190421.db2.gz BWJWOQKTUXXAND-UHFFFAOYSA-N -1 3 398.220 3.129 20 0 GGADHM CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)[n-]1 ZINC000589692014 567190593 /nfs/dbraw/zinc/19/05/93/567190593.db2.gz MYKNKTCBQUHLQP-LURJTMIESA-N -1 3 391.678 3.349 20 0 GGADHM CSc1n[n-]c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 ZINC000589692014 567190600 /nfs/dbraw/zinc/19/06/00/567190600.db2.gz MYKNKTCBQUHLQP-LURJTMIESA-N -1 3 391.678 3.349 20 0 GGADHM CSc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n[n-]1 ZINC000589692014 567190605 /nfs/dbraw/zinc/19/06/05/567190605.db2.gz MYKNKTCBQUHLQP-LURJTMIESA-N -1 3 391.678 3.349 20 0 GGADHM CSc1nnc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)[n-]1 ZINC000589692018 567191144 /nfs/dbraw/zinc/19/11/44/567191144.db2.gz NFDQYKOLABYPKM-UHFFFAOYSA-N -1 3 380.524 3.187 20 0 GGADHM CSc1n[n-]c(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)n1 ZINC000589692018 567191145 /nfs/dbraw/zinc/19/11/45/567191145.db2.gz NFDQYKOLABYPKM-UHFFFAOYSA-N -1 3 380.524 3.187 20 0 GGADHM CSc1nc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)n[n-]1 ZINC000589692018 567191153 /nfs/dbraw/zinc/19/11/53/567191153.db2.gz NFDQYKOLABYPKM-UHFFFAOYSA-N -1 3 380.524 3.187 20 0 GGADHM CC1CCC([N-]S(=O)(=O)Cc2nc(CCCc3ccsc3)no2)CC1 ZINC000547219878 567191252 /nfs/dbraw/zinc/19/12/52/567191252.db2.gz IXWDVBHTXDGNPK-UHFFFAOYSA-N -1 3 383.539 3.305 20 0 GGADHM C[C@H](c1ccccc1)[C@](C)(O)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000432787047 567192009 /nfs/dbraw/zinc/19/20/09/567192009.db2.gz QVSBCLCUIBDWPJ-XIKOKIGWSA-N -1 3 388.265 3.012 20 0 GGADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000566815654 567192301 /nfs/dbraw/zinc/19/23/01/567192301.db2.gz IZRIJUGYRKGHFO-CQSZACIVSA-N -1 3 394.244 3.255 20 0 GGADHM COc1ccc(CN(C)Cc2cn3c(n2)CCCC3)c(Br)c1[O-] ZINC000432788872 567192619 /nfs/dbraw/zinc/19/26/19/567192619.db2.gz NENDJKUQBKPTTL-UHFFFAOYSA-N -1 3 380.286 3.328 20 0 GGADHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC ZINC000524312637 567192718 /nfs/dbraw/zinc/19/27/18/567192718.db2.gz AALBCLSGTYLQAY-CYBMUJFWSA-N -1 3 398.706 3.113 20 0 GGADHM Cn1ccc([C@H]([N-]S(=O)(=O)c2ccccc2F)c2ccc(Cl)cc2)n1 ZINC000547241722 567193447 /nfs/dbraw/zinc/19/34/47/567193447.db2.gz SANQRJNWQQECPB-QGZVFWFLSA-N -1 3 379.844 3.281 20 0 GGADHM CSc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)co1 ZINC000637369859 567193443 /nfs/dbraw/zinc/19/34/43/567193443.db2.gz XTXWCCTVQJCKKN-UHFFFAOYSA-N -1 3 384.177 3.197 20 0 GGADHM COC(=O)c1nsc([N-]C(=O)c2oc3ccc(Br)cc3c2C)n1 ZINC000589826110 567194238 /nfs/dbraw/zinc/19/42/38/567194238.db2.gz WGQPXRJFWHAEGH-UHFFFAOYSA-N -1 3 396.222 3.394 20 0 GGADHM Cc1cccc(CO[C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000637376096 567195063 /nfs/dbraw/zinc/19/50/63/567195063.db2.gz GSIBWKMMYNBMGC-LLVKDONJSA-N -1 3 375.778 3.373 20 0 GGADHM Cc1nc([C@H]2CCOC2)sc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000637376233 567195108 /nfs/dbraw/zinc/19/51/08/567195108.db2.gz JFVMWBBRQXPOOL-QMMMGPOBSA-N -1 3 394.806 3.042 20 0 GGADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000637376232 567195213 /nfs/dbraw/zinc/19/52/13/567195213.db2.gz JFVMWBBRQXPOOL-MRVPVSSYSA-N -1 3 394.806 3.042 20 0 GGADHM COc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc(OC)c1[O-] ZINC000547271740 567195240 /nfs/dbraw/zinc/19/52/40/567195240.db2.gz XOATVNBMCOZUFA-KGLIPLIRSA-N -1 3 392.249 3.458 20 0 GGADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589888177 567197194 /nfs/dbraw/zinc/19/71/94/567197194.db2.gz DPZGZAINJFFLRT-KOLCDFICSA-N -1 3 382.707 3.338 20 0 GGADHM CCN(CC)C(=O)C1([N-]S(=O)(=O)Cc2ccccc2Cl)CCCCC1 ZINC000524408298 567197695 /nfs/dbraw/zinc/19/76/95/567197695.db2.gz SZDHEOOOQREZQX-UHFFFAOYSA-N -1 3 386.945 3.331 20 0 GGADHM COCCCn1cc(C)c(=NC(=O)c2cc3cc(Br)sc3[n-]2)[nH]1 ZINC000615677897 567198453 /nfs/dbraw/zinc/19/84/53/567198453.db2.gz NZRKJANIXIIYIC-UHFFFAOYSA-N -1 3 397.298 3.208 20 0 GGADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000474778378 567198897 /nfs/dbraw/zinc/19/88/97/567198897.db2.gz XCNDSXXYFDTAOE-UHFFFAOYSA-N -1 3 389.166 3.286 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000524445353 567199214 /nfs/dbraw/zinc/19/92/14/567199214.db2.gz ZZEQZHAAABGDII-UHFFFAOYSA-N -1 3 380.293 3.289 20 0 GGADHM CCN(CC)CC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000524417622 567199468 /nfs/dbraw/zinc/19/94/68/567199468.db2.gz JATUFHBQUYATTM-UHFFFAOYSA-N -1 3 385.693 3.195 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cc(F)ccc1OC(F)F ZINC000566908199 567201773 /nfs/dbraw/zinc/20/17/73/567201773.db2.gz DXRZEIBNBULSOL-CQSZACIVSA-N -1 3 379.400 3.055 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)c(Cl)c1Cl ZINC000547340957 567202881 /nfs/dbraw/zinc/20/28/81/567202881.db2.gz ZJURVWKVJWVPNX-HOTGVXAUSA-N -1 3 394.320 3.486 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc(C(=O)OC)c2C)cc1 ZINC000547340924 567203556 /nfs/dbraw/zinc/20/35/56/567203556.db2.gz SPSJQXPEGTWNSD-UHFFFAOYSA-N -1 3 383.853 3.382 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c(Cl)c1Cl ZINC000547340959 567203564 /nfs/dbraw/zinc/20/35/64/567203564.db2.gz ZJURVWKVJWVPNX-JKSUJKDBSA-N -1 3 394.320 3.486 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CN(C)C[C@H]2c2ccccc2)c(Cl)cc1F ZINC000498848265 567204946 /nfs/dbraw/zinc/20/49/46/567204946.db2.gz CDMNENDIGPKDNX-WMLDXEAASA-N -1 3 382.888 3.164 20 0 GGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000590071248 567206099 /nfs/dbraw/zinc/20/60/99/567206099.db2.gz UMAAZORBXLNWOG-CJNGLKHVSA-N -1 3 380.535 3.245 20 0 GGADHM CC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(F)F ZINC000454858068 567207235 /nfs/dbraw/zinc/20/72/35/567207235.db2.gz QPGUQDAWIGEZNM-NSHDSACASA-N -1 3 381.420 3.068 20 0 GGADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)CC23CCC(CC2)CC3)nc1C ZINC000590086355 567207590 /nfs/dbraw/zinc/20/75/90/567207590.db2.gz FUZMSRVSQHISEN-UHFFFAOYSA-N -1 3 386.539 3.018 20 0 GGADHM CCCc1nc(=NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)s[n-]1 ZINC000567002072 567209052 /nfs/dbraw/zinc/20/90/52/567209052.db2.gz WZTNDLRBXRSFQJ-SWLSCSKDSA-N -1 3 379.555 3.179 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccncc2Br)cc1Cl ZINC000432955013 567209157 /nfs/dbraw/zinc/20/91/57/567209157.db2.gz KPNWFJJRFAEECW-UHFFFAOYSA-N -1 3 391.674 3.037 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(CCC3CC3)no2)cc(C(F)(F)F)c1 ZINC000566999478 567209266 /nfs/dbraw/zinc/20/92/66/567209266.db2.gz GZYOWWKRCCQSSC-UHFFFAOYSA-N -1 3 375.372 3.470 20 0 GGADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000432958057 567209505 /nfs/dbraw/zinc/20/95/05/567209505.db2.gz FQTTUCSXUUEWDU-UHFFFAOYSA-N -1 3 376.507 3.064 20 0 GGADHM O=S(=O)(C[C@H]1CCOC1)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000547471485 567210849 /nfs/dbraw/zinc/21/08/49/567210849.db2.gz QKOLGTVOQQHLMN-LBPRGKRZSA-N -1 3 378.475 3.012 20 0 GGADHM O=S(=O)(C[C@@H]1CCOC1)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000547471484 567211658 /nfs/dbraw/zinc/21/16/58/567211658.db2.gz QKOLGTVOQQHLMN-GFCCVEGCSA-N -1 3 378.475 3.012 20 0 GGADHM CN1C[C@@H](c2ccccc2)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000498908804 567212089 /nfs/dbraw/zinc/21/20/89/567212089.db2.gz UNNHMUIQRHLURW-XJKSGUPXSA-N -1 3 385.316 3.370 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)s1 ZINC000547474075 567213661 /nfs/dbraw/zinc/21/36/61/567213661.db2.gz LNMXTMQYZDVWAH-UHFFFAOYSA-N -1 3 398.307 3.241 20 0 GGADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)n1 ZINC000567077771 567215494 /nfs/dbraw/zinc/21/54/94/567215494.db2.gz IDQJLUOPXZQFLN-ZDUSSCGKSA-N -1 3 382.507 3.365 20 0 GGADHM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc2c(c1)CCO2 ZINC000615955079 567215862 /nfs/dbraw/zinc/21/58/62/567215862.db2.gz JICZVSIQXPDINK-UHFFFAOYSA-N -1 3 391.499 3.425 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)OCCc2sccc21 ZINC000567087736 567217236 /nfs/dbraw/zinc/21/72/36/567217236.db2.gz CXUCEJGJSFWHAB-INIZCTEOSA-N -1 3 389.901 3.448 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000524872750 567218269 /nfs/dbraw/zinc/21/82/69/567218269.db2.gz YAEJLHNGEXATSH-GZMMTYOYSA-N -1 3 389.857 3.162 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c1Cl ZINC000684590281 567218762 /nfs/dbraw/zinc/21/87/62/567218762.db2.gz INEIGTFXPJOYED-UHFFFAOYSA-N -1 3 376.265 3.349 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCC(=O)NC(C)(C)C)c1Cl ZINC000590300921 567218995 /nfs/dbraw/zinc/21/89/95/567218995.db2.gz QTBYVQKNTWFFHE-UHFFFAOYSA-N -1 3 381.325 3.193 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(C)(C)c1ccccc1 ZINC000590299339 567219039 /nfs/dbraw/zinc/21/90/39/567219039.db2.gz QLKBVBAENSXMFG-GFCCVEGCSA-N -1 3 383.311 3.489 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c(Br)c1 ZINC000684608438 567221195 /nfs/dbraw/zinc/22/11/95/567221195.db2.gz PAGRTVKJBBLFPJ-UHFFFAOYSA-N -1 3 391.674 3.037 20 0 GGADHM CCOc1cc(Br)c(F)cc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000590402900 567223910 /nfs/dbraw/zinc/22/39/10/567223910.db2.gz RQRXFHJGHSPHIY-UHFFFAOYSA-N -1 3 385.189 3.354 20 0 GGADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1cccs1 ZINC000616068410 567223954 /nfs/dbraw/zinc/22/39/54/567223954.db2.gz HTHYRSDZIYKNMJ-VIFPVBQESA-N -1 3 379.912 3.354 20 0 GGADHM O=C(COc1ccc(Br)cc1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000590404914 567224005 /nfs/dbraw/zinc/22/40/05/567224005.db2.gz STNFNHHBVIAXQQ-UHFFFAOYSA-N -1 3 391.200 3.391 20 0 GGADHM Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000684657803 567225157 /nfs/dbraw/zinc/22/51/57/567225157.db2.gz UMKKWJQILDFUDT-UHFFFAOYSA-N -1 3 395.731 3.388 20 0 GGADHM Cn1c(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)nc2ccc(Br)cc21 ZINC000659800852 567225829 /nfs/dbraw/zinc/22/58/29/567225829.db2.gz ZBYIZZAFSCVNFR-SGTLLEGYSA-N -1 3 392.297 3.413 20 0 GGADHM O=C([O-])[C@H](c1ccccc1Br)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000659796296 567226547 /nfs/dbraw/zinc/22/65/47/567226547.db2.gz KHCJWQLHOCETOY-UAGQMJEPSA-N -1 3 382.298 3.448 20 0 GGADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccnn1C ZINC000684661532 567226565 /nfs/dbraw/zinc/22/65/65/567226565.db2.gz XIULJIZAXRDJOP-LBPRGKRZSA-N -1 3 376.309 3.445 20 0 GGADHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660716 567226915 /nfs/dbraw/zinc/22/69/15/567226915.db2.gz VVHYYAZPCUJRJL-GFCCVEGCSA-N -1 3 395.750 3.255 20 0 GGADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000433162852 567227400 /nfs/dbraw/zinc/22/74/00/567227400.db2.gz NFLROTPCPKSKGH-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000433161155 567227994 /nfs/dbraw/zinc/22/79/94/567227994.db2.gz XBYOBFRXCAEUSY-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000433169852 567228899 /nfs/dbraw/zinc/22/88/99/567228899.db2.gz YTWKZAMHJBMCRT-UHFFFAOYSA-N -1 3 391.873 3.382 20 0 GGADHM COC(=O)[C@@H](NCc1ccc(OC)c([O-])c1Br)c1cccs1 ZINC000475155825 567229311 /nfs/dbraw/zinc/22/93/11/567229311.db2.gz LBSMWHRRJGNQJP-ZDUSSCGKSA-N -1 3 386.267 3.229 20 0 GGADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567230553 567229332 /nfs/dbraw/zinc/22/93/32/567229332.db2.gz LWLOJZDPPWSUPO-RHSMWYFYSA-N -1 3 393.281 3.368 20 0 GGADHM CN(Cc1cccc(Br)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000499188642 567229436 /nfs/dbraw/zinc/22/94/36/567229436.db2.gz HXJFAAYUXFXEDN-UHFFFAOYSA-N -1 3 397.294 3.093 20 0 GGADHM CCOC(=O)c1nnc([N-]C(=O)c2cn(C)nc2-c2ccc(Cl)s2)s1 ZINC000616166506 567230513 /nfs/dbraw/zinc/23/05/13/567230513.db2.gz YGNFLGZMWADHTQ-UHFFFAOYSA-N -1 3 397.869 3.083 20 0 GGADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)N(C)C)cc1 ZINC000567254060 567231986 /nfs/dbraw/zinc/23/19/86/567231986.db2.gz ZIMGCBSHAKKLST-MRXNPFEDSA-N -1 3 385.942 3.038 20 0 GGADHM O=C(Nc1ccc(Br)cc1[O-])c1csc(-c2cnccn2)n1 ZINC000590570369 567232499 /nfs/dbraw/zinc/23/24/99/567232499.db2.gz QDGWBXFYJYEICZ-UHFFFAOYSA-N -1 3 377.223 3.321 20 0 GGADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2sc(C)cc2Br)c1C ZINC000525175800 567232613 /nfs/dbraw/zinc/23/26/13/567232613.db2.gz NEYHWVLHAMXNQI-UHFFFAOYSA-N -1 3 392.344 3.131 20 0 GGADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])n1nnc(-c2ccccc2)n1 ZINC000525192020 567234292 /nfs/dbraw/zinc/23/42/92/567234292.db2.gz WIDSXNULDMEJBQ-SNVBAGLBSA-N -1 3 388.225 3.008 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)s1 ZINC000590609808 567235083 /nfs/dbraw/zinc/23/50/83/567235083.db2.gz RVBJTQPPRARPCY-UWTIGNOOSA-N -1 3 378.519 3.170 20 0 GGADHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)cc1 ZINC000684764455 567235546 /nfs/dbraw/zinc/23/55/46/567235546.db2.gz KONHDZZQCSFJKP-GFCCVEGCSA-N -1 3 398.575 3.188 20 0 GGADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000590610901 567235633 /nfs/dbraw/zinc/23/56/33/567235633.db2.gz KWCWLYCXHVOKHO-LBPRGKRZSA-N -1 3 388.272 3.284 20 0 GGADHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC000590611380 567235761 /nfs/dbraw/zinc/23/57/61/567235761.db2.gz XTGZVZRONVJPNL-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)s1 ZINC000684764279 567235805 /nfs/dbraw/zinc/23/58/05/567235805.db2.gz JOWYRYOHPUDPDS-WKPIXPDZSA-N -1 3 398.937 3.433 20 0 GGADHM COc1ccc(CNCc2ncnn2-c2ccccc2)c(Br)c1[O-] ZINC000475271856 567236471 /nfs/dbraw/zinc/23/64/71/567236471.db2.gz YJIDSLJPMBVPOH-UHFFFAOYSA-N -1 3 389.253 3.034 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000567322755 567236625 /nfs/dbraw/zinc/23/66/25/567236625.db2.gz WZNJTLSHPHKDAA-SECBINFHSA-N -1 3 398.308 3.401 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000659919230 567238513 /nfs/dbraw/zinc/23/85/13/567238513.db2.gz BAJHZLUAZCRCKE-SECBINFHSA-N -1 3 383.392 3.313 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(C)C2CCC(C(C)C)CC2)s1 ZINC000433280051 567238896 /nfs/dbraw/zinc/23/88/96/567238896.db2.gz AKQPBNFSLUSBFF-UHFFFAOYSA-N -1 3 387.571 3.012 20 0 GGADHM CC(C)C[C@@H]1CCCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000525265924 567239672 /nfs/dbraw/zinc/23/96/72/567239672.db2.gz WPICWYGVPYZSSP-ZDUSSCGKSA-N -1 3 392.974 3.497 20 0 GGADHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)CCOC1 ZINC000659922943 567240762 /nfs/dbraw/zinc/24/07/62/567240762.db2.gz QUWAORYGSDRSIO-BLLLJJGKSA-N -1 3 379.881 3.044 20 0 GGADHM CO[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)(C)C ZINC000525286946 567241774 /nfs/dbraw/zinc/24/17/74/567241774.db2.gz ZVYHHSSHMDBUPZ-OAHLLOKOSA-N -1 3 381.270 3.082 20 0 GGADHM CO[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)(C)C ZINC000525286945 567242313 /nfs/dbraw/zinc/24/23/13/567242313.db2.gz ZVYHHSSHMDBUPZ-HNNXBMFYSA-N -1 3 381.270 3.082 20 0 GGADHM C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547742902 567242827 /nfs/dbraw/zinc/24/28/27/567242827.db2.gz OTONRTKOZSLJER-WCQYABFASA-N -1 3 393.281 3.056 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[n-]1 ZINC000590746248 567243313 /nfs/dbraw/zinc/24/33/13/567243313.db2.gz YXPWEHXVCGKNRU-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c[n-]1 ZINC000590746248 567243319 /nfs/dbraw/zinc/24/33/19/567243319.db2.gz YXPWEHXVCGKNRU-NWDGAFQWSA-N -1 3 378.226 3.091 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1cc(F)cc2nn[n-]c21 ZINC000433343682 567243601 /nfs/dbraw/zinc/24/36/01/567243601.db2.gz NUDUMBLNIWQMNS-UHFFFAOYSA-N -1 3 395.207 3.361 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1cc(F)cc2[n-]nnc21 ZINC000433343682 567243608 /nfs/dbraw/zinc/24/36/08/567243608.db2.gz NUDUMBLNIWQMNS-UHFFFAOYSA-N -1 3 395.207 3.361 20 0 GGADHM O=C(NCCCc1ccc(Br)cc1F)c1cc(F)cc2n[n-]nc21 ZINC000433343682 567243616 /nfs/dbraw/zinc/24/36/16/567243616.db2.gz NUDUMBLNIWQMNS-UHFFFAOYSA-N -1 3 395.207 3.361 20 0 GGADHM CCn1cccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1=O ZINC000433341117 567244554 /nfs/dbraw/zinc/24/45/54/567244554.db2.gz DYNJCYPZJUHSNX-UHFFFAOYSA-N -1 3 394.802 3.019 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1ccc(Cl)cc1Br ZINC000684913666 567244851 /nfs/dbraw/zinc/24/48/51/567244851.db2.gz NYTSSUAPMJFRFB-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM C/C=C/c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000499407656 567244870 /nfs/dbraw/zinc/24/48/70/567244870.db2.gz VVKFOFMQKWFNGS-NSCUHMNNSA-N -1 3 389.249 3.443 20 0 GGADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000684911191 567244983 /nfs/dbraw/zinc/24/49/83/567244983.db2.gz DWIOVSZQHVCJTR-RNCFNFMXSA-N -1 3 398.834 3.086 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000684914577 567245796 /nfs/dbraw/zinc/24/57/96/567245796.db2.gz ARMVFLUMQACXGA-UHFFFAOYSA-N -1 3 396.734 3.465 20 0 GGADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1ccc(F)cc1Cl ZINC000433370187 567246104 /nfs/dbraw/zinc/24/61/04/567246104.db2.gz DDCQCCRGLRJPQZ-UHFFFAOYSA-N -1 3 383.872 3.314 20 0 GGADHM CO[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Cc1ccccc1 ZINC000455206955 567246501 /nfs/dbraw/zinc/24/65/01/567246501.db2.gz IGJDLLGNZQSUSX-HNNXBMFYSA-N -1 3 393.281 3.212 20 0 GGADHM CCCN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000660027324 567248784 /nfs/dbraw/zinc/24/87/84/567248784.db2.gz NTTKTJVNBKMPKJ-JTQLQIEISA-N -1 3 399.713 3.004 20 0 GGADHM CCCC[C@H](CCC)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433431136 567249390 /nfs/dbraw/zinc/24/93/90/567249390.db2.gz RBINICFETIDMNU-ZDUSSCGKSA-N -1 3 394.534 3.082 20 0 GGADHM COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nnc(SC)[n-]1 ZINC000525455115 567249836 /nfs/dbraw/zinc/24/98/36/567249836.db2.gz GZSVTNAYXMZXMZ-LLVKDONJSA-N -1 3 399.314 3.123 20 0 GGADHM COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc(SC)n[n-]1 ZINC000525455115 567249842 /nfs/dbraw/zinc/24/98/42/567249842.db2.gz GZSVTNAYXMZXMZ-LLVKDONJSA-N -1 3 399.314 3.123 20 0 GGADHM COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1n[n-]c(SC)n1 ZINC000525455115 567249849 /nfs/dbraw/zinc/24/98/49/567249849.db2.gz GZSVTNAYXMZXMZ-LLVKDONJSA-N -1 3 399.314 3.123 20 0 GGADHM COc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)c(Br)c1[O-] ZINC000567470846 567250251 /nfs/dbraw/zinc/25/02/51/567250251.db2.gz RXTBYTLOLGTAKJ-CQSZACIVSA-N -1 3 397.313 3.140 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000433445233 567251238 /nfs/dbraw/zinc/25/12/38/567251238.db2.gz XYLMWYYAYBISBN-LSDHHAIUSA-N -1 3 383.828 3.100 20 0 GGADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)C[C@H](C)O1 ZINC000567489516 567251426 /nfs/dbraw/zinc/25/14/26/567251426.db2.gz CUFLVMRJXDLAPW-QWRGUYRKSA-N -1 3 394.306 3.460 20 0 GGADHM O=C(CCC1CC1)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000525490301 567251871 /nfs/dbraw/zinc/25/18/71/567251871.db2.gz OKTNENMCDKMRSH-UHFFFAOYSA-N -1 3 381.217 3.232 20 0 GGADHM C[C@H](NCc1cc([O-])ccc1Br)C(=O)N1Cc2ccccc2C1 ZINC000475488088 567251914 /nfs/dbraw/zinc/25/19/14/567251914.db2.gz QKXUEMKKIHSHGZ-LBPRGKRZSA-N -1 3 375.266 3.175 20 0 GGADHM C[C@]12CCN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C[C@H]1C2(F)F ZINC000455250560 567252148 /nfs/dbraw/zinc/25/21/48/567252148.db2.gz SAMFPHLZVQKCEG-RISCZKNCSA-N -1 3 385.212 3.028 20 0 GGADHM CSC[C@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000455248785 567252294 /nfs/dbraw/zinc/25/22/94/567252294.db2.gz QCTUYGNMWZNNKS-NSHDSACASA-N -1 3 383.315 3.126 20 0 GGADHM CC1(CC(F)(F)F)CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000455242069 567252355 /nfs/dbraw/zinc/25/23/55/567252355.db2.gz GMJGTYMRTFUSSO-UHFFFAOYSA-N -1 3 391.191 3.325 20 0 GGADHM CCC[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OCC ZINC000433475285 567252475 /nfs/dbraw/zinc/25/24/75/567252475.db2.gz QDNRZKXJHRQICB-JTQLQIEISA-N -1 3 398.344 3.077 20 0 GGADHM CNC(=O)CC1(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCCCC1 ZINC000660048250 567252481 /nfs/dbraw/zinc/25/24/81/567252481.db2.gz BGYUMLPMBIEXBP-UHFFFAOYSA-N -1 3 378.947 3.075 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c(C)cn1 ZINC000685005285 567253386 /nfs/dbraw/zinc/25/33/86/567253386.db2.gz BOKCSIIVQIUPDE-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM CC(C)CN(C(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000475500982 567253364 /nfs/dbraw/zinc/25/33/64/567253364.db2.gz IFHRZWBECJQDIU-UHFFFAOYSA-N -1 3 386.926 3.369 20 0 GGADHM CCN1CCC([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000499500147 567253547 /nfs/dbraw/zinc/25/35/47/567253547.db2.gz BWMIHQUAZNGVJQ-UHFFFAOYSA-N -1 3 385.942 3.226 20 0 GGADHM O=S(=O)(CCc1ccccc1F)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000660061922 567254067 /nfs/dbraw/zinc/25/40/67/567254067.db2.gz FLNHJQGIDAJOQC-HNNXBMFYSA-N -1 3 392.279 3.328 20 0 GGADHM O=S(=O)(CCOCC1CCCC1)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000660061871 567254189 /nfs/dbraw/zinc/25/41/89/567254189.db2.gz DDJQJPTURDZENC-OAHLLOKOSA-N -1 3 396.336 3.153 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CC(C)C)CC2)cc1 ZINC000660065867 567255465 /nfs/dbraw/zinc/25/54/65/567255465.db2.gz MKZYLMZBTLYJCU-UHFFFAOYSA-N -1 3 388.555 3.085 20 0 GGADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000660063331 567255580 /nfs/dbraw/zinc/25/55/80/567255580.db2.gz SLQZIVDUXFSLPK-RISCZKNCSA-N -1 3 384.325 3.007 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CCCSC2)c(F)cc1F ZINC000567558538 567256830 /nfs/dbraw/zinc/25/68/30/567256830.db2.gz FIPHOPRTJSWIHQ-JTQLQIEISA-N -1 3 378.466 3.198 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(C)nc2)s1 ZINC000525687690 567258317 /nfs/dbraw/zinc/25/83/17/567258317.db2.gz GRXIFKPZKIPEHP-UHFFFAOYSA-N -1 3 375.313 3.043 20 0 GGADHM CNC(=O)c1cccc([N-]C(=O)c2c(C)noc2C(F)F)c1Br ZINC000685177950 567259656 /nfs/dbraw/zinc/25/96/56/567259656.db2.gz YGSHWDHSGXXXSV-UHFFFAOYSA-N -1 3 388.168 3.295 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3C[C@H]3C3CCCCC3)cc2N1 ZINC000525698231 567260189 /nfs/dbraw/zinc/26/01/89/567260189.db2.gz HGWZPBSRGNWOFM-XJKSGUPXSA-N -1 3 382.913 3.472 20 0 GGADHM CCc1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 ZINC000525721127 567261590 /nfs/dbraw/zinc/26/15/90/567261590.db2.gz QRCACZNJOCILKB-UHFFFAOYSA-N -1 3 385.536 3.194 20 0 GGADHM Cc1ccc([O-])c(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000499625031 567261718 /nfs/dbraw/zinc/26/17/18/567261718.db2.gz IHHLNWPDMQPXFU-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000433614385 567261702 /nfs/dbraw/zinc/26/17/02/567261702.db2.gz CVWRYEILQJYPAL-INIZCTEOSA-N -1 3 382.507 3.207 20 0 GGADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000433605003 567261797 /nfs/dbraw/zinc/26/17/97/567261797.db2.gz RODCWVLUSAEWEW-UHFFFAOYSA-N -1 3 383.853 3.309 20 0 GGADHM Cc1ncc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)s1 ZINC000499629975 567261849 /nfs/dbraw/zinc/26/18/49/567261849.db2.gz FMGKPBHOTSVHPD-UHFFFAOYSA-N -1 3 378.255 3.106 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-]C[C@H](c1ccc(SC)cc1)N(C)C ZINC000567630643 567262797 /nfs/dbraw/zinc/26/27/97/567262797.db2.gz FTBWQSKCLKADNA-CQSZACIVSA-N -1 3 386.564 3.060 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccn(C(C)C)n2)cc1Cl ZINC000567651151 567263561 /nfs/dbraw/zinc/26/35/61/567263561.db2.gz IDXRZQCXKGXFSY-UHFFFAOYSA-N -1 3 378.281 3.258 20 0 GGADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c1 ZINC000499672022 567264060 /nfs/dbraw/zinc/26/40/60/567264060.db2.gz CGTJPRCLBKDMEC-JTQLQIEISA-N -1 3 381.828 3.230 20 0 GGADHM O=C(NCc1n[nH]cc1Br)c1cc(Cc2ccccc2)ccc1[O-] ZINC000591091030 567264477 /nfs/dbraw/zinc/26/44/77/567264477.db2.gz UGTFPGOWSGLVKY-UHFFFAOYSA-N -1 3 386.249 3.399 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)c(Br)c1 ZINC000499674256 567264598 /nfs/dbraw/zinc/26/45/98/567264598.db2.gz INVBPJBNZPFYFJ-GXFFZTMASA-N -1 3 390.299 3.093 20 0 GGADHM COCC1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000499674612 567264868 /nfs/dbraw/zinc/26/48/68/567264868.db2.gz IHABAFRYJUCFSE-UHFFFAOYSA-N -1 3 382.707 3.198 20 0 GGADHM CN(C)[C@@]1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSC1 ZINC000433659132 567265859 /nfs/dbraw/zinc/26/58/59/567265859.db2.gz JJUCRWWRMUYJDJ-OAHLLOKOSA-N -1 3 390.983 3.270 20 0 GGADHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000433683458 567266218 /nfs/dbraw/zinc/26/62/18/567266218.db2.gz DLGFLSKNGKLHKR-UHFFFAOYSA-N -1 3 398.344 3.219 20 0 GGADHM CCc1ccc([O-])c(C(=O)NCC(=O)Nc2ccc(Br)cc2)c1 ZINC000499722223 567267891 /nfs/dbraw/zinc/26/78/91/567267891.db2.gz CPANGEJOFRCVTD-UHFFFAOYSA-N -1 3 377.238 3.086 20 0 GGADHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000433733657 567269102 /nfs/dbraw/zinc/26/91/02/567269102.db2.gz QLZLBVJYFBSZRU-UHFFFAOYSA-N -1 3 398.706 3.113 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)oc1C ZINC000499740254 567269770 /nfs/dbraw/zinc/26/97/70/567269770.db2.gz FIMMUCTUXBTJMO-QGHHPUGFSA-N -1 3 383.853 3.242 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)cc1OC ZINC000499731719 567269809 /nfs/dbraw/zinc/26/98/09/567269809.db2.gz FUZXNTDULWWHBP-JTQLQIEISA-N -1 3 383.844 3.461 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C)o1 ZINC000499744665 567270636 /nfs/dbraw/zinc/27/06/36/567270636.db2.gz VQBROTQPTGOEHC-DYZYQPBXSA-N -1 3 383.853 3.242 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000499751032 567271241 /nfs/dbraw/zinc/27/12/41/567271241.db2.gz TUFPIDAFNBPKTE-JTQLQIEISA-N -1 3 381.828 3.230 20 0 GGADHM C[C@@H]1C[C@@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CO1 ZINC000685384318 567271290 /nfs/dbraw/zinc/27/12/90/567271290.db2.gz IOWDZNVYDATEOQ-PSASIEDQSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1C[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CO1 ZINC000685384318 567271296 /nfs/dbraw/zinc/27/12/96/567271296.db2.gz IOWDZNVYDATEOQ-PSASIEDQSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@@H]1C[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CO1 ZINC000685384318 567271304 /nfs/dbraw/zinc/27/13/04/567271304.db2.gz IOWDZNVYDATEOQ-PSASIEDQSA-N -1 3 376.214 3.177 20 0 GGADHM O=C(Nc1ccc([O-])cc1Cl)c1sccc1S(=O)(=O)N1CCCC1 ZINC000616941984 567271865 /nfs/dbraw/zinc/27/18/65/567271865.db2.gz LPLGDQBKBDZNGZ-UHFFFAOYSA-N -1 3 386.882 3.144 20 0 GGADHM C[C@H]1C[C@H](c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CO1 ZINC000685384321 567272054 /nfs/dbraw/zinc/27/20/54/567272054.db2.gz IOWDZNVYDATEOQ-WPRPVWTQSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1C[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CO1 ZINC000685384321 567272058 /nfs/dbraw/zinc/27/20/58/567272058.db2.gz IOWDZNVYDATEOQ-WPRPVWTQSA-N -1 3 376.214 3.177 20 0 GGADHM C[C@H]1C[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CO1 ZINC000685384321 567272062 /nfs/dbraw/zinc/27/20/62/567272062.db2.gz IOWDZNVYDATEOQ-WPRPVWTQSA-N -1 3 376.214 3.177 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000525869630 567272546 /nfs/dbraw/zinc/27/25/46/567272546.db2.gz QNRJVMFMOXANIT-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000525869630 567272553 /nfs/dbraw/zinc/27/25/53/567272553.db2.gz QNRJVMFMOXANIT-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000525869630 567272556 /nfs/dbraw/zinc/27/25/56/567272556.db2.gz QNRJVMFMOXANIT-UHFFFAOYSA-N -1 3 375.226 3.001 20 0 GGADHM CC(C)c1ccc(C(C)(C)NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000591300108 567272590 /nfs/dbraw/zinc/27/25/90/567272590.db2.gz CERLYTRWDAGFKH-UHFFFAOYSA-N -1 3 380.535 3.201 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1cc(Br)ccc1Cl ZINC000475757032 567273347 /nfs/dbraw/zinc/27/33/47/567273347.db2.gz IUKAYYKEUODSOM-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)sc1Br ZINC000433818742 567273810 /nfs/dbraw/zinc/27/38/10/567273810.db2.gz GQRSJXBIATYMRV-UHFFFAOYSA-N -1 3 389.340 3.364 20 0 GGADHM COc1cc(C[NH2+]C2(C(=O)[O-])CCC(F)(F)CC2)cc(Br)c1[O-] ZINC000567754424 567274236 /nfs/dbraw/zinc/27/42/36/567274236.db2.gz XSFLOCMPQQWNDV-UHFFFAOYSA-N -1 3 394.212 3.286 20 0 GGADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000433818613 567274277 /nfs/dbraw/zinc/27/42/77/567274277.db2.gz FZORAFJCTZXSFV-NSHDSACASA-N -1 3 386.564 3.475 20 0 GGADHM O=S(=O)([N-]CCc1ccncc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000475765793 567274333 /nfs/dbraw/zinc/27/43/33/567274333.db2.gz GPXYPXOTQIPWAD-UHFFFAOYSA-N -1 3 379.894 3.380 20 0 GGADHM COCCOCCCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433826550 567275355 /nfs/dbraw/zinc/27/53/55/567275355.db2.gz PQWDXLFNVCNJJD-UHFFFAOYSA-N -1 3 377.915 3.276 20 0 GGADHM O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1csc(=O)[n-]1 ZINC000525926234 567275358 /nfs/dbraw/zinc/27/53/58/567275358.db2.gz ACYWHEKRKPFVPD-UHFFFAOYSA-N -1 3 396.310 3.006 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000475785177 567275528 /nfs/dbraw/zinc/27/55/28/567275528.db2.gz CPKBXIHIJUKQAU-UHFFFAOYSA-N -1 3 393.958 3.177 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1ccc(Br)cc1F ZINC000475778713 567275967 /nfs/dbraw/zinc/27/59/67/567275967.db2.gz IARKEAGLGZYBCJ-ZDUSSCGKSA-N -1 3 386.242 3.260 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1nc2ccccc2s1)[C@H]1CCCN(C2CCC2)C1 ZINC000567781296 567276913 /nfs/dbraw/zinc/27/69/13/567276913.db2.gz BCZJOBOKRGABCB-KBPBESRZSA-N -1 3 379.551 3.228 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2cc(Br)ccc2F)s1 ZINC000433837707 567277496 /nfs/dbraw/zinc/27/74/96/567277496.db2.gz VMLHECHKTXZTCE-UHFFFAOYSA-N -1 3 393.303 3.183 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H](F)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000567774615 567277377 /nfs/dbraw/zinc/27/73/77/567277377.db2.gz ORLLYVYMJSUARC-AEGPPILISA-N -1 3 391.892 3.314 20 0 GGADHM CCc1nccn1C[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000548077122 567278290 /nfs/dbraw/zinc/27/82/90/567278290.db2.gz XIWPAGUYIQPHGC-OAHLLOKOSA-N -1 3 392.297 3.147 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)s1 ZINC000591393982 567280462 /nfs/dbraw/zinc/28/04/62/567280462.db2.gz KRYXBHDAEFJCQL-NSHDSACASA-N -1 3 382.482 3.052 20 0 GGADHM Cc1nnc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1C1CC1 ZINC000567819677 567280511 /nfs/dbraw/zinc/28/05/11/567280511.db2.gz LEVIRZZKDMIBRH-UHFFFAOYSA-N -1 3 376.869 3.207 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1ccc(Br)cc1F ZINC000475816718 567280821 /nfs/dbraw/zinc/28/08/21/567280821.db2.gz ZSQBKXJBXFQJMU-UHFFFAOYSA-N -1 3 388.258 3.205 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1scnc1C ZINC000591395330 567281762 /nfs/dbraw/zinc/28/17/62/567281762.db2.gz PFRNQGITESMMDF-UHFFFAOYSA-N -1 3 391.312 3.091 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000499907120 567282704 /nfs/dbraw/zinc/28/27/04/567282704.db2.gz GQNFGXHONOPTBF-UHFFFAOYSA-N -1 3 393.216 3.140 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000499907120 567282707 /nfs/dbraw/zinc/28/27/07/567282707.db2.gz GQNFGXHONOPTBF-UHFFFAOYSA-N -1 3 393.216 3.140 20 0 GGADHM COc1ccc(Br)cc1CN(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000499907120 567282710 /nfs/dbraw/zinc/28/27/10/567282710.db2.gz GQNFGXHONOPTBF-UHFFFAOYSA-N -1 3 393.216 3.140 20 0 GGADHM CN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000499937427 567285370 /nfs/dbraw/zinc/28/53/70/567285370.db2.gz HDJDIYTVLOPOGD-UHFFFAOYSA-N -1 3 393.216 3.011 20 0 GGADHM CN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000499937427 567285378 /nfs/dbraw/zinc/28/53/78/567285378.db2.gz HDJDIYTVLOPOGD-UHFFFAOYSA-N -1 3 393.216 3.011 20 0 GGADHM CN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000499937427 567285382 /nfs/dbraw/zinc/28/53/82/567285382.db2.gz HDJDIYTVLOPOGD-UHFFFAOYSA-N -1 3 393.216 3.011 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1[O-] ZINC000499935041 567285605 /nfs/dbraw/zinc/28/56/05/567285605.db2.gz TZQGDKJWTQACMH-OAHLLOKOSA-N -1 3 375.266 3.472 20 0 GGADHM O=C([N-]c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)c1ccoc1Cl ZINC000433979019 567285520 /nfs/dbraw/zinc/28/55/20/567285520.db2.gz AGJVZNRXXIZYBJ-UHFFFAOYSA-N -1 3 393.223 3.419 20 0 GGADHM COc1ncc(Br)cc1CN(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000660293759 567285636 /nfs/dbraw/zinc/28/56/36/567285636.db2.gz NMPHQPMUMFNUAP-UHFFFAOYSA-N -1 3 395.282 3.195 20 0 GGADHM O=S(=O)([N-]CCc1cn2c(n1)SCC2)c1cc2cc(Cl)ccc2s1 ZINC000526050924 567286208 /nfs/dbraw/zinc/28/62/08/567286208.db2.gz QLPXXVGYKIASIB-UHFFFAOYSA-N -1 3 399.950 3.378 20 0 GGADHM COc1ncccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000685608364 567286722 /nfs/dbraw/zinc/28/67/22/567286722.db2.gz ZCGJBUPEPYTPSB-UHFFFAOYSA-N -1 3 394.802 3.283 20 0 GGADHM COc1ncccc1CC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000685608445 567287165 /nfs/dbraw/zinc/28/71/65/567287165.db2.gz HSDJGWUYRGJQQZ-UHFFFAOYSA-N -1 3 380.853 3.319 20 0 GGADHM Cc1cc(C(=O)NCCCNC(=O)c2cccc(Br)c2)ccc1[O-] ZINC000499969840 567287392 /nfs/dbraw/zinc/28/73/92/567287392.db2.gz RAUWKZNTIZVHIN-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)c1 ZINC000685602878 567287585 /nfs/dbraw/zinc/28/75/85/567287585.db2.gz FHUHEECNJNZQDG-INIZCTEOSA-N -1 3 387.910 3.177 20 0 GGADHM COCc1nc(C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)cs1 ZINC000685602843 567287596 /nfs/dbraw/zinc/28/75/96/567287596.db2.gz PJDLNZFLDLFOFH-UHFFFAOYSA-N -1 3 386.882 3.476 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C3CC3)C(C)(C)CO)s2)cs1 ZINC000685607854 567287607 /nfs/dbraw/zinc/28/76/07/567287607.db2.gz AXMAOTXNKUDHJM-OAHLLOKOSA-N -1 3 386.564 3.255 20 0 GGADHM CC1=C(C)C[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000567927722 567289833 /nfs/dbraw/zinc/28/98/33/567289833.db2.gz OANACFCDKZEADW-ZDUSSCGKSA-N -1 3 388.892 3.010 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2NC(C)C)c(C)o1 ZINC000617250337 567293587 /nfs/dbraw/zinc/29/35/87/567293587.db2.gz MNQNQJJFYGJAKM-UHFFFAOYSA-N -1 3 385.873 3.222 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nnc2ccccn21 ZINC000434101505 567293919 /nfs/dbraw/zinc/29/39/19/567293919.db2.gz ICSXHMHLFQJPLC-CYBMUJFWSA-N -1 3 382.848 3.342 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nnc2ccccn21 ZINC000434102411 567294305 /nfs/dbraw/zinc/29/43/05/567294305.db2.gz AQZCSXLVRGBRFX-GFCCVEGCSA-N -1 3 382.848 3.342 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nnc2ccccn21 ZINC000434102412 567294333 /nfs/dbraw/zinc/29/43/33/567294333.db2.gz AQZCSXLVRGBRFX-LBPRGKRZSA-N -1 3 382.848 3.342 20 0 GGADHM CSc1cc(Cl)ccc1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000617252075 567294438 /nfs/dbraw/zinc/29/44/38/567294438.db2.gz IPIZXLQAABLLPQ-UHFFFAOYSA-N -1 3 388.898 3.466 20 0 GGADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nnc2ccccn21 ZINC000434100781 567294505 /nfs/dbraw/zinc/29/45/05/567294505.db2.gz XICVFYAGPNIPFS-CYBMUJFWSA-N -1 3 382.848 3.342 20 0 GGADHM CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nnc2ccccn21 ZINC000434100782 567294586 /nfs/dbraw/zinc/29/45/86/567294586.db2.gz XICVFYAGPNIPFS-ZDUSSCGKSA-N -1 3 382.848 3.342 20 0 GGADHM COc1cc(Br)cc(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000567973143 567295233 /nfs/dbraw/zinc/29/52/33/567295233.db2.gz YCVKYCQGSMLRAK-UHFFFAOYSA-N -1 3 376.194 3.079 20 0 GGADHM CC1(C)CC(CNC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000526929593 567297833 /nfs/dbraw/zinc/29/78/33/567297833.db2.gz FRJXWYFTRVDNKD-UHFFFAOYSA-N -1 3 378.416 3.243 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1Cl ZINC000639274327 567300011 /nfs/dbraw/zinc/30/00/11/567300011.db2.gz IMJPYIMEUQJIHO-UHFFFAOYSA-N -1 3 379.290 3.362 20 0 GGADHM CCCSc1nc(=NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)s[n-]1 ZINC000476125954 567300000 /nfs/dbraw/zinc/30/00/00/567300000.db2.gz ALALSQHOQPYWCO-NWDGAFQWSA-N -1 3 383.543 3.306 20 0 GGADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000476142732 567300029 /nfs/dbraw/zinc/30/00/29/567300029.db2.gz JNSKCAOXPDQXNW-MEBBXXQBSA-N -1 3 382.309 3.347 20 0 GGADHM CCCSc1nc(=NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)s[n-]1 ZINC000476125972 567300274 /nfs/dbraw/zinc/30/02/74/567300274.db2.gz ALALSQHOQPYWCO-RYUDHWBXSA-N -1 3 383.543 3.306 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000591817258 567300339 /nfs/dbraw/zinc/30/03/39/567300339.db2.gz BBZBUNFFKUBDIG-VXGBXAGGSA-N -1 3 378.460 3.139 20 0 GGADHM COC(=O)[C@](C)([N-]S(=O)(=O)CCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000476173987 567302183 /nfs/dbraw/zinc/30/21/83/567302183.db2.gz ZXUUKIQUPMJADU-OAHLLOKOSA-N -1 3 380.293 3.101 20 0 GGADHM COC(=O)[C@](C)([N-]S(=O)(=O)CCC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000476162880 567302216 /nfs/dbraw/zinc/30/22/16/567302216.db2.gz TVWNMUAHJUGTHS-OAHLLOKOSA-N -1 3 382.309 3.347 20 0 GGADHM CSc1ccccc1S(=O)(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000568085092 567302971 /nfs/dbraw/zinc/30/29/71/567302971.db2.gz IXJWZMZIVOLIIM-UHFFFAOYSA-N -1 3 394.909 3.080 20 0 GGADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO[C@@H]1C1CC1 ZINC000476187735 567303414 /nfs/dbraw/zinc/30/34/14/567303414.db2.gz GWOGKGJDUKZZBS-HUUCEWRRSA-N -1 3 392.290 3.072 20 0 GGADHM COc1cc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000500167262 567304366 /nfs/dbraw/zinc/30/43/66/567304366.db2.gz XTDOMLPDVKPWDU-JTQLQIEISA-N -1 3 380.242 3.119 20 0 GGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476201338 567304513 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COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)c1 ZINC000685900185 567308918 /nfs/dbraw/zinc/30/89/18/567308918.db2.gz UWIHLKGOOOEGGV-UHFFFAOYSA-N -1 3 380.897 3.275 20 0 GGADHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000527059458 567309237 /nfs/dbraw/zinc/30/92/37/567309237.db2.gz ZHLCHYZKESPUFO-RXMQYKEDSA-N -1 3 381.672 3.377 20 0 GGADHM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000685902152 567309528 /nfs/dbraw/zinc/30/95/28/567309528.db2.gz FPGQRFQNJINPIK-UHFFFAOYSA-N -1 3 378.347 3.369 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C ZINC000592038525 567309817 /nfs/dbraw/zinc/30/98/17/567309817.db2.gz BQEDLNBRIOZAQW-UHFFFAOYSA-N -1 3 375.462 3.013 20 0 GGADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000685916311 567310148 /nfs/dbraw/zinc/31/01/48/567310148.db2.gz JSTUIRVTJYIPGB-UHFFFAOYSA-N -1 3 380.466 3.024 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2OC)cc1Cl ZINC000548368435 567310830 /nfs/dbraw/zinc/31/08/30/567310830.db2.gz 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/nfs/dbraw/zinc/32/21/58/567322158.db2.gz OPEQTCYFTPJCSV-UHFFFAOYSA-N -1 3 381.270 3.178 20 0 GGADHM O=S(=O)([N-]CCCn1cccn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500448437 567322565 /nfs/dbraw/zinc/32/25/65/567322565.db2.gz UWBGHMHQBVZEDZ-UHFFFAOYSA-N -1 3 382.898 3.029 20 0 GGADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000568357809 567323268 /nfs/dbraw/zinc/32/32/68/567323268.db2.gz VCAAWQDIYDVYAB-UHFFFAOYSA-N -1 3 395.297 3.487 20 0 GGADHM COc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(Br)c1OC ZINC000660745323 567323517 /nfs/dbraw/zinc/32/35/17/567323517.db2.gz CTQAJLKRUOLXQS-UHFFFAOYSA-N -1 3 396.285 3.295 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000476421939 567323573 /nfs/dbraw/zinc/32/35/73/567323573.db2.gz IRIMFTHKBJJCIO-MRXNPFEDSA-N -1 3 393.958 3.319 20 0 GGADHM Cc1ccc(NC(=O)CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000660748824 567323909 /nfs/dbraw/zinc/32/39/09/567323909.db2.gz RNURITFURZUODR-UHFFFAOYSA-N -1 3 393.285 3.025 20 0 GGADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000476433797 567324087 /nfs/dbraw/zinc/32/40/87/567324087.db2.gz NOTLHCDBUGKIDG-UHFFFAOYSA-N -1 3 375.324 3.157 20 0 GGADHM CC[C@@H]1CCCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000476445878 567324348 /nfs/dbraw/zinc/32/43/48/567324348.db2.gz GJKYQOMLOOITBX-VXGBXAGGSA-N -1 3 378.947 3.012 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc3cc(Br)ccc3o2)n1 ZINC000660750194 567324389 /nfs/dbraw/zinc/32/43/89/567324389.db2.gz YNRZYQGHFGVLTD-UHFFFAOYSA-N -1 3 377.242 3.419 20 0 GGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000476436433 567324546 /nfs/dbraw/zinc/32/45/46/567324546.db2.gz RANQUCGNDJZJCH-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000660746902 567324788 /nfs/dbraw/zinc/32/47/88/567324788.db2.gz NLPFTWHFSPWXDK-LLVKDONJSA-N -1 3 386.279 3.062 20 0 GGADHM CC[C@H]1CCCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000476445877 567325005 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Cc1cc(Br)cc(C)c1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568408114 567327712 /nfs/dbraw/zinc/32/77/12/567327712.db2.gz DATBUKSDJBKEHK-UHFFFAOYSA-N -1 3 376.254 3.369 20 0 GGADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000527291720 567327960 /nfs/dbraw/zinc/32/79/60/567327960.db2.gz YHENZYABMDNRSW-UHFFFAOYSA-N -1 3 382.251 3.310 20 0 GGADHM CC(=O)c1cccc(NC(=O)c2ccccc2I)c1[O-] ZINC000568424664 567327883 /nfs/dbraw/zinc/32/78/83/567327883.db2.gz FEMLCSLMOPOJSA-UHFFFAOYSA-N -1 3 381.169 3.452 20 0 GGADHM O=C(N[C@H]1CC[C@H](F)C1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000568434011 567328887 /nfs/dbraw/zinc/32/88/87/567328887.db2.gz JZAGSGMHSBWWIJ-JSGCOSHPSA-N -1 3 388.530 3.370 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)cc1Cl ZINC000434779922 567329071 /nfs/dbraw/zinc/32/90/71/567329071.db2.gz WOORNORNFYMPQN-GFCCVEGCSA-N -1 3 393.336 3.297 20 0 GGADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476505796 567329596 /nfs/dbraw/zinc/32/95/96/567329596.db2.gz FNIYMJNKEJZPHU-STQMWFEESA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476504714 567329802 /nfs/dbraw/zinc/32/98/02/567329802.db2.gz KEXBUZPXSHLGIF-FZMZJTMJSA-N -1 3 394.306 3.460 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476504716 567329907 /nfs/dbraw/zinc/32/99/07/567329907.db2.gz KEXBUZPXSHLGIF-SMDDNHRTSA-N -1 3 394.306 3.460 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(C)cc1 ZINC000500557974 567330360 /nfs/dbraw/zinc/33/03/60/567330360.db2.gz KKWOJSZQCFQPNF-CQSZACIVSA-N -1 3 385.844 3.023 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(C)cc1 ZINC000500557970 567330521 /nfs/dbraw/zinc/33/05/21/567330521.db2.gz KKWOJSZQCFQPNF-AWEZNQCLSA-N -1 3 385.844 3.023 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)Nc1ccc(C2CCC2)cc1 ZINC000568463695 567330877 /nfs/dbraw/zinc/33/08/77/567330877.db2.gz BIJJINCLSXUEGW-UHFFFAOYSA-N -1 3 379.507 3.116 20 0 GGADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(C)cc1 ZINC000500556163 567331020 /nfs/dbraw/zinc/33/10/20/567331020.db2.gz FQRLYLZFEWBFGO-CYBMUJFWSA-N -1 3 385.844 3.023 20 0 GGADHM COCc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500598499 567333185 /nfs/dbraw/zinc/33/31/85/567333185.db2.gz HXJMXNIDGCIVFU-UHFFFAOYSA-N -1 3 388.258 3.213 20 0 GGADHM CC(C)(C)OC(=O)Cn1cc(NCc2cccc([O-])c2Br)cn1 ZINC000592368836 567334245 /nfs/dbraw/zinc/33/42/45/567334245.db2.gz ZIMWOTGZMXFEMU-UHFFFAOYSA-N -1 3 382.258 3.305 20 0 GGADHM O=S(=O)([N-]CCc1ccccc1F)c1cc(F)ccc1Br ZINC000434954398 567335774 /nfs/dbraw/zinc/33/57/74/567335774.db2.gz HYJLWLUSYDIGNU-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]CC[C@@H](C)c3ccccc3)cnc2c1Cl ZINC000500644201 567336318 /nfs/dbraw/zinc/33/63/18/567336318.db2.gz QYUNKYOKDXRGTD-GFCCVEGCSA-N -1 3 378.885 3.163 20 0 GGADHM O=S(=O)([N-]CCc1cccc(F)c1)c1cc(F)ccc1Br ZINC000434958579 567336426 /nfs/dbraw/zinc/33/64/26/567336426.db2.gz GGNRNMPTPLNEEF-UHFFFAOYSA-N -1 3 376.222 3.248 20 0 GGADHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1cncc([O-])c1 ZINC000568533227 567336705 /nfs/dbraw/zinc/33/67/05/567336705.db2.gz OTKRXFONDOCPEW-UHFFFAOYSA-N -1 3 375.266 3.282 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@@H]1C ZINC000500666175 567336719 /nfs/dbraw/zinc/33/67/19/567336719.db2.gz JPYNGNYUACLDNP-RYUDHWBXSA-N -1 3 393.322 3.129 20 0 GGADHM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000434957569 567336775 /nfs/dbraw/zinc/33/67/75/567336775.db2.gz GGRKVXJRTWNOLQ-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)c1ccccc1 ZINC000500681339 567338441 /nfs/dbraw/zinc/33/84/41/567338441.db2.gz RLPSJQQMUGHXCJ-ZDUSSCGKSA-N -1 3 378.885 3.163 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCc4c3cccc4Cl)cnc2c1Cl ZINC000500677227 567338532 /nfs/dbraw/zinc/33/85/32/567338532.db2.gz IRVSJYDZZIVVCN-CQSZACIVSA-N -1 3 397.287 3.310 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]2CC)cc1 ZINC000476604216 567339051 /nfs/dbraw/zinc/33/90/51/567339051.db2.gz UCZGDMHGWBQMQC-WMLDXEAASA-N -1 3 388.555 3.038 20 0 GGADHM Cc1noc(C)c1[N-]C(=O)c1cc(I)c(F)cc1F ZINC000435018606 567339168 /nfs/dbraw/zinc/33/91/68/567339168.db2.gz YDYIPLYOXTVOIX-UHFFFAOYSA-N -1 3 378.116 3.427 20 0 GGADHM CSCC[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000592461076 567341161 /nfs/dbraw/zinc/34/11/61/567341161.db2.gz OZWYSKKDPZAOML-LLVKDONJSA-N -1 3 384.242 3.346 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CN2CCCCCC2)s1 ZINC000476630995 567341206 /nfs/dbraw/zinc/34/12/06/567341206.db2.gz JPZQSRCZVQMHAJ-NSHDSACASA-N -1 3 395.388 3.362 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)s1 ZINC000476639925 567341279 /nfs/dbraw/zinc/34/12/79/567341279.db2.gz VBWDWFLEQKEGGC-UHFFFAOYSA-N -1 3 383.491 3.145 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)[n-]1 ZINC000617875947 567342826 /nfs/dbraw/zinc/34/28/26/567342826.db2.gz BBHRSROJPQGHDM-UHFFFAOYSA-N -1 3 395.188 3.222 20 0 GGADHM CCOC(=O)c1nc(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)c[n-]1 ZINC000617875947 567342828 /nfs/dbraw/zinc/34/28/28/567342828.db2.gz BBHRSROJPQGHDM-UHFFFAOYSA-N -1 3 395.188 3.222 20 0 GGADHM COc1ncc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c(C)c1Br ZINC000617894213 567342847 /nfs/dbraw/zinc/34/28/47/567342847.db2.gz YFBGQJBIUUOAEB-UHFFFAOYSA-N -1 3 379.136 3.155 20 0 GGADHM COc1ncc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c(C)c1Br ZINC000617894213 567342850 /nfs/dbraw/zinc/34/28/50/567342850.db2.gz YFBGQJBIUUOAEB-UHFFFAOYSA-N -1 3 379.136 3.155 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCc2nccn2C1 ZINC000548710630 567343183 /nfs/dbraw/zinc/34/31/83/567343183.db2.gz HOGJZXBLSKYRQR-GFCCVEGCSA-N -1 3 379.869 3.132 20 0 GGADHM CSc1nc(=NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)s[n-]1 ZINC000476670491 567344239 /nfs/dbraw/zinc/34/42/39/567344239.db2.gz ZCSCFNJOZJUNEI-LBPRGKRZSA-N -1 3 397.595 3.338 20 0 GGADHM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(Br)cc1[O-] ZINC000548733040 567345859 /nfs/dbraw/zinc/34/58/59/567345859.db2.gz BKIIMRQDRNJHGS-ZDUSSCGKSA-N -1 3 393.285 3.063 20 0 GGADHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435205699 567346653 /nfs/dbraw/zinc/34/66/53/567346653.db2.gz CXZXEQUAEXOEIK-UHFFFAOYSA-N -1 3 388.258 3.254 20 0 GGADHM CS(=O)(=O)c1cccc(Cl)c1C(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000476768517 567347926 /nfs/dbraw/zinc/34/79/26/567347926.db2.gz VSPXUIVUPJMBDF-UHFFFAOYSA-N -1 3 394.758 3.115 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)Oc1ccccc1 ZINC000435213013 567347966 /nfs/dbraw/zinc/34/79/66/567347966.db2.gz KIRCOSGOMZIPBM-NSHDSACASA-N -1 3 388.258 3.334 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC(C)(C)C ZINC000435209369 567348542 /nfs/dbraw/zinc/34/85/42/567348542.db2.gz WLJMCCKPYMTCFI-QMMMGPOBSA-N -1 3 398.706 3.111 20 0 GGADHM O=S(=O)([N-]CC1Cc2ccccc2C1)c1cc(F)ccc1Br ZINC000435217503 567348962 /nfs/dbraw/zinc/34/89/62/567348962.db2.gz PTARKCNTEJZYJI-UHFFFAOYSA-N -1 3 384.270 3.282 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(F)ccc1Br ZINC000435219900 567348995 /nfs/dbraw/zinc/34/89/95/567348995.db2.gz JFSZKGWQMXRWBH-APHBMKBZSA-N -1 3 382.254 3.205 20 0 GGADHM CCOc1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435220969 567349084 /nfs/dbraw/zinc/34/90/84/567349084.db2.gz UVTFNPFVAMLECR-UHFFFAOYSA-N -1 3 388.258 3.465 20 0 GGADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C12CCC2 ZINC000435221917 567349136 /nfs/dbraw/zinc/34/91/36/567349136.db2.gz FALWXLGANDBYDI-ZIAGYGMSSA-N -1 3 392.290 3.214 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1cc(F)ccc1Br ZINC000435223123 567350812 /nfs/dbraw/zinc/35/08/12/567350812.db2.gz QICBZGQXEGOCEK-SWLSCSKDSA-N -1 3 384.270 3.498 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1cc(Cl)ccc1Br ZINC000435227550 567350824 /nfs/dbraw/zinc/35/08/24/567350824.db2.gz UOTXQPRQCJTOIF-UHFFFAOYSA-N -1 3 393.690 3.228 20 0 GGADHM O=S(=O)([N-]CCc1cc(Cl)ccc1Br)c1cncc(F)c1 ZINC000435225783 567351167 /nfs/dbraw/zinc/35/11/67/567351167.db2.gz LIMGWNKXGGIXTP-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM CCC1(CC)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000500880611 567351373 /nfs/dbraw/zinc/35/13/73/567351373.db2.gz MHKUBIANNJIQNG-UHFFFAOYSA-N -1 3 378.519 3.131 20 0 GGADHM COC(=O)c1nc([N-]C(=O)c2ncc(Br)s2)sc1C1CC1 ZINC000618023713 567352255 /nfs/dbraw/zinc/35/22/55/567352255.db2.gz PVJFGMFTGALXHV-UHFFFAOYSA-N -1 3 388.268 3.278 20 0 GGADHM CCc1ccc([O-])c(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000500928525 567354616 /nfs/dbraw/zinc/35/46/16/567354616.db2.gz VTAPOBQWYHVQLP-LBPRGKRZSA-N -1 3 384.259 3.431 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H](C)c3cccc(C)c3)cnc2c1Cl ZINC000500948911 567354720 /nfs/dbraw/zinc/35/47/20/567354720.db2.gz XMIXVQPHXSXILM-LBPRGKRZSA-N -1 3 378.885 3.082 20 0 GGADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCC(F)(F)C3)cc2N1 ZINC000548841353 567355044 /nfs/dbraw/zinc/35/50/44/567355044.db2.gz LIVSXLJULLUCBD-JTQLQIEISA-N -1 3 392.855 3.329 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C(C)(C)c3cccc(F)c3)cnc2c1Cl ZINC000500957021 567355696 /nfs/dbraw/zinc/35/56/96/567355696.db2.gz ZUQIIYOAJGFUOI-UHFFFAOYSA-N -1 3 382.848 3.044 20 0 GGADHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H](C)Sc3ccccc3)cnc2c1Cl ZINC000500953828 567355707 /nfs/dbraw/zinc/35/57/07/567355707.db2.gz LWWWCFAVKHYUSK-NSHDSACASA-N -1 3 396.925 3.150 20 0 GGADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1C[C@H](C(=O)[O-])C1 ZINC000568782731 567356237 /nfs/dbraw/zinc/35/62/37/567356237.db2.gz YYUBFLOBEPHAFE-MQMHXKEQSA-N -1 3 378.270 3.204 20 0 GGADHM Cc1ccc(C(=O)N2CCN(Cc3cc([O-])ccc3Br)CC2)cc1 ZINC000501007925 567358956 /nfs/dbraw/zinc/35/89/56/567358956.db2.gz ZYCXJYYWIRIORA-UHFFFAOYSA-N -1 3 389.293 3.421 20 0 GGADHM COc1ccccc1[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)N(C)C ZINC000527681257 567360518 /nfs/dbraw/zinc/36/05/18/567360518.db2.gz JAFLYGXMLLLWGN-MRXNPFEDSA-N -1 3 393.281 3.196 20 0 GGADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)cc3F)C2)c1 ZINC000476961123 567361006 /nfs/dbraw/zinc/36/10/06/567361006.db2.gz YQDSMQYLELVRFO-ZDUSSCGKSA-N -1 3 384.860 3.045 20 0 GGADHM CN(C)[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccs1 ZINC000640290584 567361598 /nfs/dbraw/zinc/36/15/98/567361598.db2.gz PUXOETQRMSUQAB-JTQLQIEISA-N -1 3 395.838 3.007 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)on1 ZINC000640292443 567362404 /nfs/dbraw/zinc/36/24/04/567362404.db2.gz KZYPSGPIDHMUHM-JTQLQIEISA-N -1 3 377.754 3.186 20 0 GGADHM O=S(=O)([N-]C1CCN(CC2CC2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435427489 567362609 /nfs/dbraw/zinc/36/26/09/567362609.db2.gz NAGFYOTWFOYRAO-UHFFFAOYSA-N -1 3 381.300 3.285 20 0 GGADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000435427704 567362967 /nfs/dbraw/zinc/36/29/67/567362967.db2.gz NZGOXUSVPYDHSM-LSDHHAIUSA-N -1 3 397.294 3.077 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCOc1ccc(Cl)cc1 ZINC000640292251 567363022 /nfs/dbraw/zinc/36/30/22/567363022.db2.gz INQOQQNKCMSONT-UHFFFAOYSA-N -1 3 397.184 3.375 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCc1cc(F)cc(F)c1 ZINC000640293319 567363156 /nfs/dbraw/zinc/36/31/56/567363156.db2.gz UPODSJJMUMKYHX-UHFFFAOYSA-N -1 3 382.720 3.163 20 0 GGADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292519 567363279 /nfs/dbraw/zinc/36/32/79/567363279.db2.gz MBTCWVNCONTNLQ-PWSUYJOCSA-N -1 3 382.814 3.238 20 0 GGADHM CCc1nc(CN(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000640293169 567363310 /nfs/dbraw/zinc/36/33/10/567363310.db2.gz TVULQURWCLWXCM-UHFFFAOYSA-N -1 3 381.811 3.204 20 0 GGADHM CN(CCc1ccc(Br)cc1)Cc1c([O-])nnn1-c1ccccc1 ZINC000592803369 567363804 /nfs/dbraw/zinc/36/38/04/567363804.db2.gz WUAUKEPAIUIOKS-UHFFFAOYSA-N -1 3 387.281 3.410 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1COc2ccc(Cl)cc21 ZINC000640294865 567363870 /nfs/dbraw/zinc/36/38/70/567363870.db2.gz LXMVDKKIJILJPO-SNVBAGLBSA-N -1 3 395.168 3.429 20 0 GGADHM CC(C)O[C@@H]1C[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000640296532 567363917 /nfs/dbraw/zinc/36/39/17/567363917.db2.gz OFICHCQGKHYXKS-WDEREUQCSA-N -1 3 382.814 3.234 20 0 GGADHM CCc1cnccc1[C@@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295695 567364539 /nfs/dbraw/zinc/36/45/39/567364539.db2.gz AZLGWBWJGRVIPT-SECBINFHSA-N -1 3 375.782 3.361 20 0 GGADHM CC(C)C[C@H]1C[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640295899 567364574 /nfs/dbraw/zinc/36/45/74/567364574.db2.gz GUWCMWCNWJZBBK-MNOVXSKESA-N -1 3 382.814 3.236 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(Br)cn1 ZINC000435431469 567364736 /nfs/dbraw/zinc/36/47/36/567364736.db2.gz IQMXIPLOLIPPMS-QWHCGFSZSA-N -1 3 387.686 3.332 20 0 GGADHM CC[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1c(C)noc1C ZINC000640296769 567364707 /nfs/dbraw/zinc/36/47/07/567364707.db2.gz QGZRYEYUGBIDNE-SNVBAGLBSA-N -1 3 379.770 3.398 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)s1 ZINC000592820114 567365120 /nfs/dbraw/zinc/36/51/20/567365120.db2.gz IVPIHLKNAIJPQI-MEBBXXQBSA-N -1 3 382.482 3.050 20 0 GGADHM Cc1csc([C@H](C)CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000640295693 567365087 /nfs/dbraw/zinc/36/50/87/567365087.db2.gz AXYCJTORZWRMEA-SSDOTTSWSA-N -1 3 381.811 3.211 20 0 GGADHM Cc1cnc([C@@H](C)CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000640296086 567365119 /nfs/dbraw/zinc/36/51/19/567365119.db2.gz JZFVAVXQMQBRGK-ZETCQYMHSA-N -1 3 381.811 3.211 20 0 GGADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000592819759 567365324 /nfs/dbraw/zinc/36/53/24/567365324.db2.gz UBUVYVAOOHUOMB-UHFFFAOYSA-N -1 3 381.322 3.341 20 0 GGADHM C[C@@H](NC(=O)N=c1[n-]n(C)cc1Br)c1cccc(OC(F)F)c1 ZINC000640308306 567365628 /nfs/dbraw/zinc/36/56/28/567365628.db2.gz NYUJYMSQOOJMRB-MRVPVSSYSA-N -1 3 389.200 3.089 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@H](OC2CCC2)C1 ZINC000640297929 567365719 /nfs/dbraw/zinc/36/57/19/567365719.db2.gz AJXOIAQXIBOJGD-NSHDSACASA-N -1 3 380.798 3.086 20 0 GGADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[nH]1 ZINC000435435105 567365720 /nfs/dbraw/zinc/36/57/20/567365720.db2.gz WXBWEHVYTKJEHQ-SSDOTTSWSA-N -1 3 381.260 3.414 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000640303162 567365946 /nfs/dbraw/zinc/36/59/46/567365946.db2.gz XVLWWFXONQZWII-LLVKDONJSA-N -1 3 376.770 3.003 20 0 GGADHM COc1cccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1C ZINC000640304039 567366087 /nfs/dbraw/zinc/36/60/87/567366087.db2.gz YYKYIBDXYREJMK-UHFFFAOYSA-N -1 3 376.766 3.159 20 0 GGADHM COCCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@@H](C)C1 ZINC000640301331 567366159 /nfs/dbraw/zinc/36/61/59/567366159.db2.gz GXHJTCCGVXOBLE-GHMZBOCLSA-N -1 3 382.814 3.190 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@H]1CCC2(CCCC2)O1 ZINC000640304024 567366239 /nfs/dbraw/zinc/36/62/39/567366239.db2.gz YHLAYAZBVQSJAU-SNVBAGLBSA-N -1 3 380.798 3.134 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CC=C(c3ccc(F)cc3)CC2)[n-]1 ZINC000640308271 567366313 /nfs/dbraw/zinc/36/63/13/567366313.db2.gz NFHBKPIYBIQMAO-UHFFFAOYSA-N -1 3 379.233 3.065 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1cc(F)ccc1Cl ZINC000592823724 567366487 /nfs/dbraw/zinc/36/64/87/567366487.db2.gz BJHAXWWEWFOXJQ-GFCCVEGCSA-N -1 3 390.814 3.315 20 0 GGADHM CO[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCCCC1 ZINC000640303274 567366696 /nfs/dbraw/zinc/36/66/96/567366696.db2.gz SDIQNSXHYSJOFB-LBPRGKRZSA-N -1 3 382.814 3.238 20 0 GGADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC(Cc2ccsc2)C1 ZINC000640303294 567366712 /nfs/dbraw/zinc/36/67/12/567366712.db2.gz SUIYJOXJYRIWSQ-UHFFFAOYSA-N -1 3 378.807 3.289 20 0 GGADHM CN(Cc1ccccc1C(F)(F)F)C(=O)N=c1[n-]n(C)cc1Br ZINC000640307911 567366829 /nfs/dbraw/zinc/36/68/29/567366829.db2.gz JMKKHKLFYJAYKF-UHFFFAOYSA-N -1 3 391.191 3.287 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)cc1Cl ZINC000592821581 567366978 /nfs/dbraw/zinc/36/69/78/567366978.db2.gz CAXBVIWMFUMMHE-LLVKDONJSA-N -1 3 393.336 3.297 20 0 GGADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640309528 567367539 /nfs/dbraw/zinc/36/75/39/567367539.db2.gz JWOFQRYCCBXBSZ-STQMWFEESA-N -1 3 377.286 3.323 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(Cc3ccccc3)CC2)[n-]1 ZINC000640309750 567367737 /nfs/dbraw/zinc/36/77/37/567367737.db2.gz PNJPREJWLWQOFF-UHFFFAOYSA-N -1 3 377.286 3.091 20 0 GGADHM Cc1cccc(NC2CCN(C(=O)N=c3[n-]n(C)cc3Br)CC2)c1 ZINC000640309242 567367964 /nfs/dbraw/zinc/36/79/64/567367964.db2.gz HVGVBHOKBJWRNI-UHFFFAOYSA-N -1 3 392.301 3.021 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640309891 567368225 /nfs/dbraw/zinc/36/82/25/567368225.db2.gz LLNPOUBGNHGVJK-JTQLQIEISA-N -1 3 385.693 3.353 20 0 GGADHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435440677 567368294 /nfs/dbraw/zinc/36/82/94/567368294.db2.gz YTZZHVQWWBOYRM-UHFFFAOYSA-N -1 3 394.299 3.469 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(c3ccccc3F)CC2)[n-]1 ZINC000640310571 567368591 /nfs/dbraw/zinc/36/85/91/567368591.db2.gz QVCTXEQHBBHEOL-UHFFFAOYSA-N -1 3 381.249 3.155 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC(Cc3cccc(F)c3)CC2)[n-]1 ZINC000640310302 567368712 /nfs/dbraw/zinc/36/87/12/567368712.db2.gz WTZDFCKSMZLQLQ-UHFFFAOYSA-N -1 3 395.276 3.230 20 0 GGADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640308962 567368722 /nfs/dbraw/zinc/36/87/22/567368722.db2.gz GLSBHBFTMZUNAH-PWSUYJOCSA-N -1 3 381.249 3.154 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1cccc(F)c1F ZINC000501155521 567369116 /nfs/dbraw/zinc/36/91/16/567369116.db2.gz OSHHZYCFVTYTKM-QMMMGPOBSA-N -1 3 377.210 3.162 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)[n-]1 ZINC000640314284 567369415 /nfs/dbraw/zinc/36/94/15/567369415.db2.gz DXRFQSDLZCPJGZ-LZWOXQAQSA-N -1 3 389.297 3.405 20 0 GGADHM NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435445639 567369462 /nfs/dbraw/zinc/36/94/62/567369462.db2.gz XKPFRKCIFHHGNL-UHFFFAOYSA-N -1 3 392.239 3.102 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)[n-]1 ZINC000640314283 567369567 /nfs/dbraw/zinc/36/95/67/567369567.db2.gz DXRFQSDLZCPJGZ-IIAWOOMASA-N -1 3 389.297 3.405 20 0 GGADHM CCOc1cc(Cl)ccc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000501143358 567369657 /nfs/dbraw/zinc/36/96/57/567369657.db2.gz SJIPOPZANRDDNM-UHFFFAOYSA-N -1 3 382.869 3.040 20 0 GGADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)[n-]1 ZINC000640316393 567369910 /nfs/dbraw/zinc/36/99/10/567369910.db2.gz GMOWOLDUUVSFHK-KRWDZBQOSA-N -1 3 395.276 3.373 20 0 GGADHM C[C@@H]1CCCC[C@@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000549050944 567370477 /nfs/dbraw/zinc/37/04/77/567370477.db2.gz DTIHSXZYIDBACE-CHWSQXEVSA-N -1 3 390.908 3.090 20 0 GGADHM C[C@H]1CCCC[C@H]1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000549050947 567370799 /nfs/dbraw/zinc/37/07/99/567370799.db2.gz DTIHSXZYIDBACE-STQMWFEESA-N -1 3 390.908 3.090 20 0 GGADHM O=S(=O)([N-][C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000501188641 567371269 /nfs/dbraw/zinc/37/12/69/567371269.db2.gz VBKOTPSUZNVYSB-LBPRGKRZSA-N -1 3 378.252 3.014 20 0 GGADHM Cc1ccccc1C1CCN(C(=O)N=c2[n-]n(C)cc2Br)CC1 ZINC000640328459 567371447 /nfs/dbraw/zinc/37/14/47/567371447.db2.gz WQYQYRVEUFFRSY-UHFFFAOYSA-N -1 3 377.286 3.324 20 0 GGADHM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1ccc(F)c(F)c1 ZINC000549078902 567372053 /nfs/dbraw/zinc/37/20/53/567372053.db2.gz NWQBIJHWPCPPQT-UHFFFAOYSA-N -1 3 381.429 3.004 20 0 GGADHM COC(=O)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000477119564 567372600 /nfs/dbraw/zinc/37/26/00/567372600.db2.gz KGUMAUUOQFVEOR-UHFFFAOYSA-N -1 3 382.185 3.010 20 0 GGADHM O=C(NCc1ccnc(N2CCCC2)c1)c1cc([O-])cc(Br)c1 ZINC000527778938 567373974 /nfs/dbraw/zinc/37/39/74/567373974.db2.gz IPBHYHLNBFOHRD-UHFFFAOYSA-N -1 3 376.254 3.080 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3csc(C)n3)o2)s1 ZINC000477131162 567374122 /nfs/dbraw/zinc/37/41/22/567374122.db2.gz DVKUWRMCIYCHAR-UHFFFAOYSA-N -1 3 398.487 3.038 20 0 GGADHM COC[C@]1(NCc2cccc([O-])c2Br)COc2ccccc2C1 ZINC000527797207 567375292 /nfs/dbraw/zinc/37/52/92/567375292.db2.gz ADNRUISKKNXUHR-SFHVURJKSA-N -1 3 378.266 3.265 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)cc1Cl ZINC000592986973 567375711 /nfs/dbraw/zinc/37/57/11/567375711.db2.gz SIIXDQUPXZIBEV-UHFFFAOYSA-N -1 3 375.805 3.306 20 0 GGADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(Br)cn1 ZINC000435582179 567375966 /nfs/dbraw/zinc/37/59/66/567375966.db2.gz BNIYGCISDZLULH-YEORSEQZSA-N -1 3 385.258 3.208 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)cn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000477166750 567376395 /nfs/dbraw/zinc/37/63/95/567376395.db2.gz WAHGZKXRNVIZSX-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(Br)ccc1F ZINC000477155617 567376736 /nfs/dbraw/zinc/37/67/36/567376736.db2.gz ZDUMCXWRKSPGMX-UHOFOFEASA-N -1 3 382.254 3.205 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435591002 567376872 /nfs/dbraw/zinc/37/68/72/567376872.db2.gz BHJUIOUUHWHYJP-CTYIDZIISA-N -1 3 379.865 3.351 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000435601205 567378280 /nfs/dbraw/zinc/37/82/80/567378280.db2.gz KKFVUGYWKDLGMT-QWHCGFSZSA-N -1 3 383.853 3.116 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(SC)cc1 ZINC000435595743 567378337 /nfs/dbraw/zinc/37/83/37/567378337.db2.gz FJPGDZPFGPPGGN-UHFFFAOYSA-N -1 3 399.921 3.370 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435598029 567378533 /nfs/dbraw/zinc/37/85/33/567378533.db2.gz MSWLZMPFRONFTB-CTYIDZIISA-N -1 3 379.865 3.351 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000435597420 567378647 /nfs/dbraw/zinc/37/86/47/567378647.db2.gz JKDRIBKYGKFHAL-GXTWGEPZSA-N -1 3 385.844 3.331 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3ccc(Br)cc3)CC2)n1 ZINC000661576308 567380472 /nfs/dbraw/zinc/38/04/72/567380472.db2.gz KAFLDHDTBVVNJX-CYBMUJFWSA-N -1 3 377.286 3.136 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCCN1C1CCCCC1)c1ccc(Br)o1 ZINC000435631664 567381993 /nfs/dbraw/zinc/38/19/93/567381993.db2.gz GIVIEXPNBQQKPZ-ZDUSSCGKSA-N -1 3 391.331 3.118 20 0 GGADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc(Br)s2)C[C@H](C)O1 ZINC000549254708 567382143 /nfs/dbraw/zinc/38/21/43/567382143.db2.gz GULMCLLTHQENAW-UWVGGRQHSA-N -1 3 382.345 3.383 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000435678365 567383245 /nfs/dbraw/zinc/38/32/45/567383245.db2.gz OUWSBSFSPCAEQO-MRVPVSSYSA-N -1 3 386.342 3.451 20 0 GGADHM CCC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)COC1 ZINC000456495990 567383966 /nfs/dbraw/zinc/38/39/66/567383966.db2.gz XISBGJRWRAFJMD-UHFFFAOYSA-N -1 3 399.672 3.100 20 0 GGADHM CCC1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])COC1 ZINC000456495990 567383975 /nfs/dbraw/zinc/38/39/75/567383975.db2.gz XISBGJRWRAFJMD-UHFFFAOYSA-N -1 3 399.672 3.100 20 0 GGADHM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc([O-])cc(Br)c1 ZINC000527939066 567384893 /nfs/dbraw/zinc/38/48/93/567384893.db2.gz MQQPVVVTVKQMCY-ZDUSSCGKSA-N -1 3 375.266 3.411 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000549339994 567386469 /nfs/dbraw/zinc/38/64/69/567386469.db2.gz PGNFEVPHJGDWRD-QMMMGPOBSA-N -1 3 396.460 3.232 20 0 GGADHM O=C(NCc1ccc(N2CCCCC2)nc1)c1cc([O-])cc(Br)c1 ZINC000528001406 567387740 /nfs/dbraw/zinc/38/77/40/567387740.db2.gz JJDQLFCUZANKKY-UHFFFAOYSA-N -1 3 390.281 3.470 20 0 GGADHM Cn1ccc(S(=O)(=O)[N-]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000569217343 567388694 /nfs/dbraw/zinc/38/86/94/567388694.db2.gz DRVQLXLOUKBBFO-UHFFFAOYSA-N -1 3 379.791 3.060 20 0 GGADHM O=C(Cc1cncc([O-])c1)NCC1(c2ccccc2Br)CCC1 ZINC000569238761 567389625 /nfs/dbraw/zinc/38/96/25/567389625.db2.gz OYSXMMUYLRHVRX-UHFFFAOYSA-N -1 3 375.266 3.330 20 0 GGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)c1ccccc1 ZINC000618450406 567389600 /nfs/dbraw/zinc/38/96/00/567389600.db2.gz DKGOQZXODHRAHB-HIFRSBDPSA-N -1 3 380.535 3.417 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)s1 ZINC000618458188 567390012 /nfs/dbraw/zinc/39/00/12/567390012.db2.gz QAQAPWJCWXAHMM-KPZWWZAWSA-N -1 3 378.519 3.375 20 0 GGADHM C[C@H]1C[C@@]1([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000549425884 567391124 /nfs/dbraw/zinc/39/11/24/567391124.db2.gz OOMVYMFGFCKCRK-XPTSAGLGSA-N -1 3 393.818 3.306 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)s1 ZINC000618458871 567391422 /nfs/dbraw/zinc/39/14/22/567391422.db2.gz JJSCWWSHZYEMLY-CYBMUJFWSA-N -1 3 380.535 3.201 20 0 GGADHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)s1 ZINC000618459637 567391849 /nfs/dbraw/zinc/39/18/49/567391849.db2.gz UGLXHIIYGBBWES-ZDUSSCGKSA-N -1 3 378.519 3.303 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(Br)c1 ZINC000501472907 567391923 /nfs/dbraw/zinc/39/19/23/567391923.db2.gz FVGVKTLCKUGTPW-GHMZBOCLSA-N -1 3 384.242 3.196 20 0 GGADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(C)c2F)c(Cl)c1OC ZINC000549466576 567392094 /nfs/dbraw/zinc/39/20/94/567392094.db2.gz SRDRYJGUFRZTRG-UHFFFAOYSA-N -1 3 387.860 3.326 20 0 GGADHM CC(C)(C)CCOc1cnccc1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000569285747 567392652 /nfs/dbraw/zinc/39/26/52/567392652.db2.gz ZFIHBSKYSXRLPS-UHFFFAOYSA-N -1 3 383.901 3.424 20 0 GGADHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])[C@@H]1COc2ccccc21 ZINC000477422766 567393433 /nfs/dbraw/zinc/39/34/33/567393433.db2.gz VLNSIVNQIZVWKP-ABAIWWIYSA-N -1 3 376.250 3.378 20 0 GGADHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])[C@H]1COc2ccccc21 ZINC000477422774 567394091 /nfs/dbraw/zinc/39/40/91/567394091.db2.gz VLNSIVNQIZVWKP-XHDPSFHLSA-N -1 3 376.250 3.378 20 0 GGADHM C[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)C(F)(F)F ZINC000477453650 567394798 /nfs/dbraw/zinc/39/47/98/567394798.db2.gz FWYWWDPWVVOUNX-ZCFIWIBFSA-N -1 3 388.770 3.057 20 0 GGADHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1ccc(Cl)c(F)c1 ZINC000549522246 567395424 /nfs/dbraw/zinc/39/54/24/567395424.db2.gz UFCXTCNDJPAZES-UHFFFAOYSA-N -1 3 381.816 3.227 20 0 GGADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1cccc(Cl)c1Br ZINC000569308632 567395319 /nfs/dbraw/zinc/39/53/19/567395319.db2.gz JXWMKRNDODTZEA-UHFFFAOYSA-N -1 3 391.674 3.446 20 0 GGADHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(F)cc2nn[n-]c21 ZINC000501537874 567395441 /nfs/dbraw/zinc/39/54/41/567395441.db2.gz SUMDIWVNFADLFF-UHFFFAOYSA-N -1 3 375.816 3.333 20 0 GGADHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(F)cc2[n-]nnc21 ZINC000501537874 567395449 /nfs/dbraw/zinc/39/54/49/567395449.db2.gz SUMDIWVNFADLFF-UHFFFAOYSA-N -1 3 375.816 3.333 20 0 GGADHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(F)cc2n[n-]nc21 ZINC000501537874 567395456 /nfs/dbraw/zinc/39/54/56/567395456.db2.gz SUMDIWVNFADLFF-UHFFFAOYSA-N -1 3 375.816 3.333 20 0 GGADHM Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000549545601 567396152 /nfs/dbraw/zinc/39/61/52/567396152.db2.gz QZHXSVIKLMSGLE-UHFFFAOYSA-N -1 3 398.275 3.307 20 0 GGADHM Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000549545601 567396154 /nfs/dbraw/zinc/39/61/54/567396154.db2.gz QZHXSVIKLMSGLE-UHFFFAOYSA-N -1 3 398.275 3.307 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000477463246 567396123 /nfs/dbraw/zinc/39/61/23/567396123.db2.gz HGSFOBDYCLSXJE-DIFFPNOSSA-N -1 3 398.937 3.120 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1c[nH]cn1)c1ccc(Br)cc1Cl ZINC000549525875 567396314 /nfs/dbraw/zinc/39/63/14/567396314.db2.gz ZZBNVWFOCRFAGZ-UHFFFAOYSA-N -1 3 392.706 3.082 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000477460990 567396409 /nfs/dbraw/zinc/39/64/09/567396409.db2.gz NVULDFITHDTYFS-CDMJZVDBSA-N -1 3 386.876 3.295 20 0 GGADHM O=S(=O)([N-]C[C@@H](CO)C1CCCCC1)c1ccc(F)cc1Br ZINC000549524321 567396629 /nfs/dbraw/zinc/39/66/29/567396629.db2.gz JOZHSRZVASIJCU-LBPRGKRZSA-N -1 3 394.306 3.055 20 0 GGADHM Cc1nc(C2(NC(=O)c3cc([O-])cc(Br)c3)CCCCC2)no1 ZINC000528134375 567397121 /nfs/dbraw/zinc/39/71/21/567397121.db2.gz XIVLLXOQZJITGM-UHFFFAOYSA-N -1 3 380.242 3.436 20 0 GGADHM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)cc1 ZINC000477481114 567397433 /nfs/dbraw/zinc/39/74/33/567397433.db2.gz ZUXGBVQBITXIDZ-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1cc(Cl)c[nH]1 ZINC000477481471 567397457 /nfs/dbraw/zinc/39/74/57/567397457.db2.gz FISBLFNIPAVCNA-UHFFFAOYSA-N -1 3 392.239 3.154 20 0 GGADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccccc1Br)c1ccccc1 ZINC000477502258 567398821 /nfs/dbraw/zinc/39/88/21/567398821.db2.gz VLMXDGRDMQHLLI-ZDUSSCGKSA-N -1 3 398.278 3.148 20 0 GGADHM Cc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[n-]c(=O)n1 ZINC000435989082 567399177 /nfs/dbraw/zinc/39/91/77/567399177.db2.gz JROLBHPIOVEITP-XYPYZODXSA-N -1 3 380.217 3.068 20 0 GGADHM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528181689 567399340 /nfs/dbraw/zinc/39/93/40/567399340.db2.gz ARKVJNSQQDESTQ-CHWSQXEVSA-N -1 3 397.313 3.312 20 0 GGADHM CCO[C@H](C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1)C1CC1 ZINC000640944149 567402630 /nfs/dbraw/zinc/40/26/30/567402630.db2.gz YXGRYSOHOJFNLQ-HNNXBMFYSA-N -1 3 378.270 3.323 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000528226669 567403196 /nfs/dbraw/zinc/40/31/96/567403196.db2.gz YQSDDLPYEFEUSO-UHFFFAOYSA-N -1 3 395.297 3.019 20 0 GGADHM COC[C@H](C)[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1 ZINC000640943192 567403244 /nfs/dbraw/zinc/40/32/44/567403244.db2.gz JSPCLABYLUJIFI-QWRGUYRKSA-N -1 3 380.286 3.427 20 0 GGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCO[C@H](C)C2)c1-c1ccc(Br)cc1 ZINC000640943253 567403293 /nfs/dbraw/zinc/40/32/93/567403293.db2.gz VMOGZFPAPZAHLH-ZWNOBZJWSA-N -1 3 378.270 3.323 20 0 GGADHM COC[C@H](C)[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1 ZINC000640943193 567403430 /nfs/dbraw/zinc/40/34/30/567403430.db2.gz JSPCLABYLUJIFI-WDEREUQCSA-N -1 3 380.286 3.427 20 0 GGADHM COC(=O)Cc1csc([N-]C(=O)c2c(F)ccc(Br)c2F)n1 ZINC000618641939 567404011 /nfs/dbraw/zinc/40/40/11/567404011.db2.gz VZPOKUDVIMDGPJ-UHFFFAOYSA-N -1 3 391.193 3.152 20 0 GGADHM CC(C)c1nc([C@@H]2COCCN2Cc2cc([O-])ccc2Br)no1 ZINC000501751116 567404963 /nfs/dbraw/zinc/40/49/63/567404963.db2.gz KJTGBHKURFQMKS-AWEZNQCLSA-N -1 3 382.258 3.235 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000569452038 567404978 /nfs/dbraw/zinc/40/49/78/567404978.db2.gz QEFKAFHIWLFYQY-HIFRSBDPSA-N -1 3 383.286 3.255 20 0 GGADHM CCOC(=O)c1cc([N-]C(=O)c2sccc2Cl)cc(S(C)(=O)=O)c1 ZINC000569463602 567406775 /nfs/dbraw/zinc/40/67/75/567406775.db2.gz SAUSPJZUXDCBGG-UHFFFAOYSA-N -1 3 387.866 3.234 20 0 GGADHM Cc1csc([C@@H]2COCCN2C(=O)Cc2ccc(Br)cc2[O-])n1 ZINC000501819570 567407333 /nfs/dbraw/zinc/40/73/33/567407333.db2.gz XUDDYMNTSAAHBD-ZDUSSCGKSA-N -1 3 397.294 3.062 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528317133 567410091 /nfs/dbraw/zinc/41/00/91/567410091.db2.gz PCAGMJSSYRTGLM-STQMWFEESA-N -1 3 397.313 3.312 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000528328013 567411335 /nfs/dbraw/zinc/41/13/35/567411335.db2.gz ORVAYDZRHYJZKD-KRWDZBQOSA-N -1 3 391.265 3.371 20 0 GGADHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000549815768 567411994 /nfs/dbraw/zinc/41/19/94/567411994.db2.gz OCOIOYJVKUQBBY-WBMJQRKESA-N -1 3 393.908 3.027 20 0 GGADHM COC[C@H]([N-]S(=O)(=O)c1sccc1Br)c1ccc(F)cc1 ZINC000436186555 567412026 /nfs/dbraw/zinc/41/20/26/567412026.db2.gz PXSABSJHWZDDPX-LBPRGKRZSA-N -1 3 394.287 3.316 20 0 GGADHM CC(C)OCCCN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000569534604 567412785 /nfs/dbraw/zinc/41/27/85/567412785.db2.gz JPXLLVOINILWFH-UHFFFAOYSA-N -1 3 381.270 3.178 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000436190405 567413372 /nfs/dbraw/zinc/41/33/72/567413372.db2.gz MWVORBALJBIZDG-CQSZACIVSA-N -1 3 388.258 3.254 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCC1 ZINC000549865415 567414705 /nfs/dbraw/zinc/41/47/05/567414705.db2.gz IUVXDPIDEYGEKX-UHFFFAOYSA-N -1 3 382.345 3.304 20 0 GGADHM COCC1(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC1 ZINC000549865674 567415568 /nfs/dbraw/zinc/41/55/68/567415568.db2.gz QTCRGMDAQQMQGU-UHFFFAOYSA-N -1 3 385.379 3.209 20 0 GGADHM O=C(NC[C@H]1CC12CC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000569575395 567415620 /nfs/dbraw/zinc/41/56/20/567415620.db2.gz WLBKVYQQVSQMIR-MRVPVSSYSA-N -1 3 381.657 3.474 20 0 GGADHM O=C(NC[C@H]1CC12CC2)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000569575395 567415627 /nfs/dbraw/zinc/41/56/27/567415627.db2.gz WLBKVYQQVSQMIR-MRVPVSSYSA-N -1 3 381.657 3.474 20 0 GGADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N=c1[n-]n(C)cc1Br ZINC000569578393 567415803 /nfs/dbraw/zinc/41/58/03/567415803.db2.gz JGMXMZUHFNEIFW-QMMMGPOBSA-N -1 3 392.175 3.029 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(SC)CC1 ZINC000619005362 567429571 /nfs/dbraw/zinc/42/95/71/567429571.db2.gz PGWPHPSKLXRIGI-UHFFFAOYSA-N -1 3 380.329 3.022 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)n2cc(COc3cccc(Br)c3)nn2)n1 ZINC000641147175 567416844 /nfs/dbraw/zinc/41/68/44/567416844.db2.gz XPVYWDKVGVOBDY-NSHDSACASA-N -1 3 390.241 3.033 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OCCOC)c(C(C)C)c1)C(F)(F)F ZINC000528377607 567417253 /nfs/dbraw/zinc/41/72/53/567417253.db2.gz WRAMRKHUKDWVTH-HNNXBMFYSA-N -1 3 383.432 3.454 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000569615583 567417921 /nfs/dbraw/zinc/41/79/21/567417921.db2.gz PLDFEFJMXDWKET-VFZGTOFNSA-N -1 3 386.242 3.389 20 0 GGADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)s1 ZINC000549912301 567418088 /nfs/dbraw/zinc/41/80/88/567418088.db2.gz IRDMLRPKBYKOLH-UHFFFAOYSA-N -1 3 394.543 3.120 20 0 GGADHM CC(C)CN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000456786857 567418391 /nfs/dbraw/zinc/41/83/91/567418391.db2.gz PZJWSMPXQZODSC-UHFFFAOYSA-N -1 3 381.885 3.409 20 0 GGADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000569615580 567418729 /nfs/dbraw/zinc/41/87/29/567418729.db2.gz PLDFEFJMXDWKET-BJOHPYRUSA-N -1 3 386.242 3.389 20 0 GGADHM C[C@H](CC1CCCC1)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502090647 567418693 /nfs/dbraw/zinc/41/86/93/567418693.db2.gz KMEMBLPKIIQGFJ-LLVKDONJSA-N -1 3 378.947 3.012 20 0 GGADHM Cc1cc(Cl)cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000502073563 567418754 /nfs/dbraw/zinc/41/87/54/567418754.db2.gz XKZZOOSKMBOOFP-UHFFFAOYSA-N -1 3 393.317 3.072 20 0 GGADHM C[C@@H]1CCC[C@H](CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000502089132 567419130 /nfs/dbraw/zinc/41/91/30/567419130.db2.gz HDBLMCHJOBTGNB-NEPJUHHUSA-N -1 3 378.947 3.012 20 0 GGADHM CC(C)c1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000502077411 567419233 /nfs/dbraw/zinc/41/92/33/567419233.db2.gz LBRWETMYZYLZKH-UHFFFAOYSA-N -1 3 386.926 3.233 20 0 GGADHM O=C(CCC1CCCCC1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502090762 567419325 /nfs/dbraw/zinc/41/93/25/567419325.db2.gz JCCJLJJUHARFRR-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM O=S(=O)([N-]CCNCc1cc(Cl)cc(C(F)(F)F)c1)c1cccs1 ZINC000436306768 567419272 /nfs/dbraw/zinc/41/92/72/567419272.db2.gz IPVAYBOQPKDVBZ-UHFFFAOYSA-N -1 3 398.859 3.488 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C(F)F)cc1 ZINC000502071514 567419357 /nfs/dbraw/zinc/41/93/57/567419357.db2.gz PSLVVDFJIBSFMU-UHFFFAOYSA-N -1 3 394.852 3.047 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2noc3ccccc32)c1 ZINC000569643732 567419848 /nfs/dbraw/zinc/41/98/48/567419848.db2.gz OSUAAOOPSYJGMP-UHFFFAOYSA-N -1 3 397.250 3.077 20 0 GGADHM CSc1cccc([C@H]([N-]S(=O)(=O)C2COC2)c2cc(F)ccc2F)c1 ZINC000569647988 567420289 /nfs/dbraw/zinc/42/02/89/567420289.db2.gz UZKSPUCTPLZHGK-KRWDZBQOSA-N -1 3 385.457 3.094 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]C[C@@H]3CCC[C@@H](F)C3)c(Cl)cc21 ZINC000528420494 567421171 /nfs/dbraw/zinc/42/11/71/567421171.db2.gz KUCUJHQJQVFHON-TZMCWYRMSA-N -1 3 388.892 3.056 20 0 GGADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000502146942 567421699 /nfs/dbraw/zinc/42/16/99/567421699.db2.gz UFJOPMNKSFHCMB-UHFFFAOYSA-N -1 3 383.708 3.068 20 0 GGADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000502146942 567421701 /nfs/dbraw/zinc/42/17/01/567421701.db2.gz UFJOPMNKSFHCMB-UHFFFAOYSA-N -1 3 383.708 3.068 20 0 GGADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000502146942 567421705 /nfs/dbraw/zinc/42/17/05/567421705.db2.gz UFJOPMNKSFHCMB-UHFFFAOYSA-N -1 3 383.708 3.068 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]C[C@H]3CCC[C@H](F)C3)c(Cl)cc21 ZINC000528420489 567421751 /nfs/dbraw/zinc/42/17/51/567421751.db2.gz KUCUJHQJQVFHON-JSGCOSHPSA-N -1 3 388.892 3.056 20 0 GGADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2csc(CC)n2)c(F)c1 ZINC000593545359 567422423 /nfs/dbraw/zinc/42/24/23/567422423.db2.gz NDBODBRKTZAHHF-JTQLQIEISA-N -1 3 386.470 3.061 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c1 ZINC000502195696 567422670 /nfs/dbraw/zinc/42/26/70/567422670.db2.gz OBYPKILFIZNKPN-LBPRGKRZSA-N -1 3 387.479 3.189 20 0 GGADHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)s1 ZINC000436423743 567422855 /nfs/dbraw/zinc/42/28/55/567422855.db2.gz VWLDUYMFALUIIU-YFKPBYRVSA-N -1 3 398.208 3.208 20 0 GGADHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)s1 ZINC000436423743 567422858 /nfs/dbraw/zinc/42/28/58/567422858.db2.gz VWLDUYMFALUIIU-YFKPBYRVSA-N -1 3 398.208 3.208 20 0 GGADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)s1 ZINC000436423743 567422863 /nfs/dbraw/zinc/42/28/63/567422863.db2.gz VWLDUYMFALUIIU-YFKPBYRVSA-N -1 3 398.208 3.208 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]CC(C)(C)c2ccc(Cl)cc2)c1 ZINC000502192115 567422983 /nfs/dbraw/zinc/42/29/83/567422983.db2.gz CSGBVYXXFHSKFU-UHFFFAOYSA-N -1 3 387.910 3.444 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000502177190 567423075 /nfs/dbraw/zinc/42/30/75/567423075.db2.gz WNTGPLBEULGVSR-SECBINFHSA-N -1 3 391.417 3.176 20 0 GGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)s1 ZINC000549987416 567423126 /nfs/dbraw/zinc/42/31/26/567423126.db2.gz NECJNFKRURCNFA-UHFFFAOYSA-N -1 3 376.507 3.105 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)s1 ZINC000477879328 567424480 /nfs/dbraw/zinc/42/44/80/567424480.db2.gz NLXATFRWMPBEMY-CHWSQXEVSA-N -1 3 387.571 3.012 20 0 GGADHM COc1cc(/C=C/c2nc(N(C)C)ncc2Br)cc(OC)c1[O-] ZINC000550011443 567424657 /nfs/dbraw/zinc/42/46/57/567424657.db2.gz HFEKOMAPELLJHL-AATRIKPKSA-N -1 3 380.242 3.198 20 0 GGADHM CCCN(CCN1CCCCCC1)S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000569697883 567424597 /nfs/dbraw/zinc/42/45/97/567424597.db2.gz HTZYSGGCHMBWOR-UHFFFAOYSA-N -1 3 388.555 3.031 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)cc1F ZINC000436475433 567426746 /nfs/dbraw/zinc/42/67/46/567426746.db2.gz GQEMZMOHDBYVHX-UHFFFAOYSA-N -1 3 377.224 3.341 20 0 GGADHM CC(C)[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000502284928 567427002 /nfs/dbraw/zinc/42/70/02/567427002.db2.gz ZKOWTMAAGWBFDA-INIZCTEOSA-N -1 3 381.885 3.234 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)cc1F ZINC000550111412 567427476 /nfs/dbraw/zinc/42/74/76/567427476.db2.gz OQXWHXUEJIBWCY-UHFFFAOYSA-N -1 3 393.223 3.041 20 0 GGADHM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000528488773 567429463 /nfs/dbraw/zinc/42/94/63/567429463.db2.gz JYTSAAMPPASEHE-INIZCTEOSA-N -1 3 380.535 3.074 20 0 GGADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000593624314 567429643 /nfs/dbraw/zinc/42/96/43/567429643.db2.gz VSWBPUWCRDUNIN-TZMCWYRMSA-N -1 3 394.921 3.390 20 0 GGADHM COc1ccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c([O-])c1 ZINC000436522044 567431838 /nfs/dbraw/zinc/43/18/38/567431838.db2.gz QLWOANHAZVCUKD-ZDUSSCGKSA-N -1 3 382.185 3.166 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]Cc2sc(-c3ccccc3)nc2C)nc1C ZINC000502417434 567432288 /nfs/dbraw/zinc/43/22/88/567432288.db2.gz FKYHQMRYKUHBMQ-UHFFFAOYSA-N -1 3 376.507 3.122 20 0 GGADHM Cc1ccc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)c([O-])c1C ZINC000436539165 567432954 /nfs/dbraw/zinc/43/29/54/567432954.db2.gz VUAHXIUQJJTFGH-UHFFFAOYSA-N -1 3 391.265 3.448 20 0 GGADHM COc1ccc(C(=O)NCc2cc(Br)c(OC)c(OC)c2)c([O-])c1 ZINC000436539511 567433075 /nfs/dbraw/zinc/43/30/75/567433075.db2.gz WIHLIHUYNVEXPY-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM COC(=O)[C@@H](NC(=O)c1cccc(C)c1[O-])c1ccc(Br)cc1 ZINC000436540172 567433243 /nfs/dbraw/zinc/43/32/43/567433243.db2.gz QNCQNYKEIJQABE-AWEZNQCLSA-N -1 3 378.222 3.107 20 0 GGADHM COc1ccc(I)c(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436538988 567433368 /nfs/dbraw/zinc/43/33/68/567433368.db2.gz MNWDWAFACCHYIS-UHFFFAOYSA-N -1 3 399.184 3.266 20 0 GGADHM CN(C)Cc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1Cl ZINC000478054004 567433838 /nfs/dbraw/zinc/43/38/38/567433838.db2.gz OFYOQYPXUMWONW-UHFFFAOYSA-N -1 3 381.885 3.025 20 0 GGADHM CCn1cc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CCC2)nc1C ZINC000502438006 567435290 /nfs/dbraw/zinc/43/52/90/567435290.db2.gz PURNDYKRXHMIET-UHFFFAOYSA-N -1 3 398.326 3.332 20 0 GGADHM COC1CCN(C(C)(C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000436554141 567435557 /nfs/dbraw/zinc/43/55/57/567435557.db2.gz IGWQAGVHHUNVBD-UHFFFAOYSA-N -1 3 375.296 3.318 20 0 GGADHM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(F)(F)F)cc2)nc1C ZINC000502436488 567436161 /nfs/dbraw/zinc/43/61/61/567436161.db2.gz JZMQWKMAGCQAEU-LLVKDONJSA-N -1 3 375.416 3.140 20 0 GGADHM [O-]c1cc(CSc2nnc(N3CCOCC3)s2)cc(C(F)(F)F)c1 ZINC000641448209 567436383 /nfs/dbraw/zinc/43/63/83/567436383.db2.gz YEBIHTJFHYPRCM-UHFFFAOYSA-N -1 3 377.413 3.391 20 0 GGADHM CC(=O)c1ccc(C(=O)NCCc2cc(Br)ccc2F)cc1[O-] ZINC000436616638 567438139 /nfs/dbraw/zinc/43/81/39/567438139.db2.gz KBMWWWGHRAYBBL-UHFFFAOYSA-N -1 3 380.213 3.469 20 0 GGADHM CC(=O)c1ccc(C(=O)NCc2cc3c(c(Br)c2)OCO3)cc1[O-] ZINC000436617496 567438484 /nfs/dbraw/zinc/43/84/84/567438484.db2.gz NNSRPESEDFFTMU-UHFFFAOYSA-N -1 3 392.205 3.016 20 0 GGADHM CCc1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)c([O-])c1 ZINC000436607080 567438903 /nfs/dbraw/zinc/43/89/03/567438903.db2.gz RDLPLERQEIUWDP-UHFFFAOYSA-N -1 3 384.295 3.413 20 0 GGADHM C[C@@H]1CC[C@H](CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000478152400 567439703 /nfs/dbraw/zinc/43/97/03/567439703.db2.gz IVOIECWVIYEFLW-NEPJUHHUSA-N -1 3 393.336 3.214 20 0 GGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cc2c(cc1Br)OCCO2 ZINC000436646162 567439901 /nfs/dbraw/zinc/43/99/01/567439901.db2.gz GNFKXZAIEHCKGS-SECBINFHSA-N -1 3 394.221 3.123 20 0 GGADHM C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528584190 567440029 /nfs/dbraw/zinc/44/00/29/567440029.db2.gz UQOZHQZTNXVNCI-ZDUSSCGKSA-N -1 3 390.281 3.069 20 0 GGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1OCCCO ZINC000436650246 567440308 /nfs/dbraw/zinc/44/03/08/567440308.db2.gz VRLOGTJWQQKBEH-GFCCVEGCSA-N -1 3 394.265 3.407 20 0 GGADHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)CCCC1 ZINC000569889596 567440484 /nfs/dbraw/zinc/44/04/84/567440484.db2.gz UNSOQGHJDWEIAR-LBPRGKRZSA-N -1 3 388.555 3.154 20 0 GGADHM O=C(Cc1ccc(Cl)s1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436632523 567440543 /nfs/dbraw/zinc/44/05/43/567440543.db2.gz BJFRZXTXJZJBMH-UHFFFAOYSA-N -1 3 378.881 3.071 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)c(F)c1 ZINC000478175741 567440769 /nfs/dbraw/zinc/44/07/69/567440769.db2.gz RYRCJCJGTQBPBL-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[O-] ZINC000436684547 567441916 /nfs/dbraw/zinc/44/19/16/567441916.db2.gz BZAWKZCKBSIKDK-CYBMUJFWSA-N -1 3 375.266 3.411 20 0 GGADHM CN(C)[C@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000436669984 567442269 /nfs/dbraw/zinc/44/22/69/567442269.db2.gz CHNRNPBHXPELRH-OAHLLOKOSA-N -1 3 381.245 3.327 20 0 GGADHM O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc(O)cc1[O-] ZINC000436669800 567442295 /nfs/dbraw/zinc/44/22/95/567442295.db2.gz OAIFIJWKGPNJKF-UHFFFAOYSA-N -1 3 388.164 3.392 20 0 GGADHM COCCCS(=O)(=O)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000478232034 567443183 /nfs/dbraw/zinc/44/31/83/567443183.db2.gz QZRPGGMJZQYMAG-UHFFFAOYSA-N -1 3 378.475 3.015 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)c([O-])c1 ZINC000436707722 567443547 /nfs/dbraw/zinc/44/35/47/567443547.db2.gz PMRJGVBDIPZRRO-UHFFFAOYSA-N -1 3 377.238 3.222 20 0 GGADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000569915010 567443965 /nfs/dbraw/zinc/44/39/65/567443965.db2.gz UGYHVGJHPJEZGJ-SNVBAGLBSA-N -1 3 381.837 3.251 20 0 GGADHM CN(Cc1ccccc1)C1CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436711623 567444356 /nfs/dbraw/zinc/44/43/56/567444356.db2.gz AUWPBXQFIMJNQU-UHFFFAOYSA-N -1 3 375.266 3.111 20 0 GGADHM Cc1ccc(C(=O)NCCCNC(=O)c2ccc(Br)cc2)c([O-])c1 ZINC000436711447 567444536 /nfs/dbraw/zinc/44/45/36/567444536.db2.gz ICTMWASOEQMWBS-UHFFFAOYSA-N -1 3 391.265 3.013 20 0 GGADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2cccc(Br)c2)[nH][n-]1 ZINC000436693255 567444677 /nfs/dbraw/zinc/44/46/77/567444677.db2.gz RVAXYXZDADNOCB-UHFFFAOYSA-N -1 3 399.248 3.147 20 0 GGADHM O=C([O-])C[C@@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000569939967 567445499 /nfs/dbraw/zinc/44/54/99/567445499.db2.gz FDPHEPDKPSRURX-ZDUSSCGKSA-N -1 3 378.270 3.322 20 0 GGADHM CC(=O)c1sc2[n-]c(CSc3nnc(C(C)C)n3C)nc(=O)c2c1C ZINC000502636148 567445806 /nfs/dbraw/zinc/44/58/06/567445806.db2.gz HCMATJWPQJSBJB-UHFFFAOYSA-N -1 3 377.495 3.040 20 0 GGADHM COc1cccc(C(=O)N[C@H](CCO)c2ccccc2Br)c1[O-] ZINC000436713620 567445973 /nfs/dbraw/zinc/44/59/73/567445973.db2.gz CMPLGKOPGFEXOK-CQSZACIVSA-N -1 3 380.238 3.017 20 0 GGADHM O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc([O-])cc(Br)c1 ZINC000528673985 567447415 /nfs/dbraw/zinc/44/74/15/567447415.db2.gz AVZMAUZLMRTHBY-SFHVURJKSA-N -1 3 376.250 3.109 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2oc3ccccc3c2C)s1 ZINC000436739202 567447493 /nfs/dbraw/zinc/44/74/93/567447493.db2.gz VMXLHCLUPYGBBH-JTQLQIEISA-N -1 3 379.463 3.196 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000436734118 567447624 /nfs/dbraw/zinc/44/76/24/567447624.db2.gz ZMKSXOLEGFFIMS-ZETCQYMHSA-N -1 3 394.305 3.448 20 0 GGADHM Cc1ccc(C(=O)N(CCO)Cc2cccc(Br)c2)c([O-])c1C ZINC000436732042 567447686 /nfs/dbraw/zinc/44/76/86/567447686.db2.gz BRFHVRJXTBNCKM-UHFFFAOYSA-N -1 3 378.266 3.406 20 0 GGADHM COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436733985 567447772 /nfs/dbraw/zinc/44/77/72/567447772.db2.gz JDESKWNENNVCJG-INIZCTEOSA-N -1 3 393.281 3.196 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C2CCC2)cc1 ZINC000478338148 567448153 /nfs/dbraw/zinc/44/81/53/567448153.db2.gz HDBNUZNSBQLECN-UHFFFAOYSA-N -1 3 398.937 3.377 20 0 GGADHM COCCNC(=O)c1ccc([N-]S(=O)(=O)CCC2CCCC2)cc1Cl ZINC000641682659 567448853 /nfs/dbraw/zinc/44/88/53/567448853.db2.gz OTFPXSOICKXUCD-UHFFFAOYSA-N -1 3 388.917 3.038 20 0 GGADHM Brc1ccc(Cc2cnc(N=c3ncnc4[nH][n-]cc3-4)s2)cc1 ZINC000502712813 567449020 /nfs/dbraw/zinc/44/90/20/567449020.db2.gz RFFZYNBNZLRAMC-UHFFFAOYSA-N -1 3 387.266 3.280 20 0 GGADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000570001813 567451520 /nfs/dbraw/zinc/45/15/20/567451520.db2.gz GAIFSLUTJMVBSN-UHFFFAOYSA-N -1 3 378.422 3.175 20 0 GGADHM COc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1Br ZINC000436775550 567451872 /nfs/dbraw/zinc/45/18/72/567451872.db2.gz FORQHMDPLIEDDO-UHFFFAOYSA-N -1 3 396.237 3.111 20 0 GGADHM COCC1(S(=O)(=O)[N-]c2cc(OC)c(Br)cc2Cl)CC1 ZINC000641694574 567452219 /nfs/dbraw/zinc/45/22/19/567452219.db2.gz JEBWJKRZBNRBQG-UHFFFAOYSA-N -1 3 384.679 3.032 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)Cc2cc(Cl)ccc2Br)[n-]1 ZINC000619449105 567453661 /nfs/dbraw/zinc/45/36/61/567453661.db2.gz RWOHPIVOFPRXCO-UHFFFAOYSA-N -1 3 386.633 3.184 20 0 GGADHM CCOC(=O)c1nc(NC(=O)Cc2cc(Cl)ccc2Br)c[n-]1 ZINC000619449105 567453667 /nfs/dbraw/zinc/45/36/67/567453667.db2.gz RWOHPIVOFPRXCO-UHFFFAOYSA-N -1 3 386.633 3.184 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)CCOc2ccc(C)cc2Br)[n-]1 ZINC000619448385 567454425 /nfs/dbraw/zinc/45/44/25/567454425.db2.gz PLUPILWPBAAZBP-UHFFFAOYSA-N -1 3 396.241 3.065 20 0 GGADHM CCOC(=O)c1nc(NC(=O)CCOc2ccc(C)cc2Br)c[n-]1 ZINC000619448385 567454434 /nfs/dbraw/zinc/45/44/34/567454434.db2.gz PLUPILWPBAAZBP-UHFFFAOYSA-N -1 3 396.241 3.065 20 0 GGADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436820643 567454352 /nfs/dbraw/zinc/45/43/52/567454352.db2.gz IBGORJYYNUKTJE-HWPZZCPQSA-N -1 3 380.238 3.366 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)Cc2sc(C)nc2-c2cccs2)[n-]1 ZINC000619449142 567454624 /nfs/dbraw/zinc/45/46/24/567454624.db2.gz UQKUBVOQTVTMQN-UHFFFAOYSA-N -1 3 376.463 3.261 20 0 GGADHM CCOC(=O)c1nc(NC(=O)Cc2sc(C)nc2-c2cccs2)c[n-]1 ZINC000619449142 567454631 /nfs/dbraw/zinc/45/46/31/567454631.db2.gz UQKUBVOQTVTMQN-UHFFFAOYSA-N -1 3 376.463 3.261 20 0 GGADHM CCC(CC)[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccs1 ZINC000502818110 567454714 /nfs/dbraw/zinc/45/47/14/567454714.db2.gz NJLDMCHHTNCRJJ-MRXNPFEDSA-N -1 3 381.523 3.422 20 0 GGADHM COc1c(Cl)cc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1Cl ZINC000502818813 567454893 /nfs/dbraw/zinc/45/48/93/567454893.db2.gz YJGVHAGRVJGCBV-UHFFFAOYSA-N -1 3 390.248 3.021 20 0 GGADHM CCC(CC)[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1cccs1 ZINC000502818109 567454933 /nfs/dbraw/zinc/45/49/33/567454933.db2.gz NJLDMCHHTNCRJJ-INIZCTEOSA-N -1 3 381.523 3.422 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1Br ZINC000570065786 567455497 /nfs/dbraw/zinc/45/54/97/567455497.db2.gz HOKRZKOOMGHEAY-JGPRNRPPSA-N -1 3 380.279 3.131 20 0 GGADHM COc1cc(C(=O)N[C@H](CO)c2c(Cl)cccc2Cl)cc(OC)c1[O-] ZINC000478440292 567456324 /nfs/dbraw/zinc/45/63/24/567456324.db2.gz XCNPRMNYMDKCJQ-GFCCVEGCSA-N -1 3 386.231 3.180 20 0 GGADHM CC(=O)c1sc2[n-]c(CSc3nnc(C(C)(C)C)o3)nc(=O)c2c1C ZINC000502856653 567458121 /nfs/dbraw/zinc/45/81/21/567458121.db2.gz PLIWNVFXEKLOHC-UHFFFAOYSA-N -1 3 378.479 3.468 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)s1 ZINC000570114933 567458674 /nfs/dbraw/zinc/45/86/74/567458674.db2.gz CIHQFQZJIWQKEK-MRVPVSSYSA-N -1 3 379.916 3.246 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccn(C(C)C)n2)sc1Br ZINC000570117472 567460421 /nfs/dbraw/zinc/46/04/21/567460421.db2.gz QLUMCUXJJUDOEK-UHFFFAOYSA-N -1 3 378.317 3.075 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2CCC(O)CC2)cc1 ZINC000550729691 567460423 /nfs/dbraw/zinc/46/04/23/567460423.db2.gz GBNFVLSTCJLYGA-UHFFFAOYSA-N -1 3 391.265 3.368 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(NC(N)=O)cc2)c1Cl ZINC000550734222 567460481 /nfs/dbraw/zinc/46/04/81/567460481.db2.gz FVBDHKSQGCHMFI-UHFFFAOYSA-N -1 3 388.276 3.271 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1cccc(Cl)c1 ZINC000641949337 567460802 /nfs/dbraw/zinc/46/08/02/567460802.db2.gz XVPUALKOROJJFH-UHFFFAOYSA-N -1 3 392.786 3.276 20 0 GGADHM CCc1ccc(-c2nc(Cc3cc(Br)c[nH]c3=O)no2)c([O-])c1 ZINC000436863999 567460832 /nfs/dbraw/zinc/46/08/32/567460832.db2.gz MGWNORLIDMRMJM-UHFFFAOYSA-N -1 3 376.210 3.459 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)cc1F ZINC000550799485 567461559 /nfs/dbraw/zinc/46/15/59/567461559.db2.gz LOBFTMSNBAHCPT-HSZRJFAPSA-N -1 3 391.873 3.167 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000528837037 567461680 /nfs/dbraw/zinc/46/16/80/567461680.db2.gz QOSOISDKGASPSZ-KRWDZBQOSA-N -1 3 394.265 3.405 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(F)(F)F ZINC000570149533 567462098 /nfs/dbraw/zinc/46/20/98/567462098.db2.gz PSFUQZBTRLPRJU-UHFFFAOYSA-N -1 3 377.315 3.432 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000550794051 567462206 /nfs/dbraw/zinc/46/22/06/567462206.db2.gz YSUTUCZKLDGSDS-QFIPXVFZSA-N -1 3 375.874 3.300 20 0 GGADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)o1 ZINC000619528741 567462247 /nfs/dbraw/zinc/46/22/47/567462247.db2.gz YASIGEDRPXYIDV-UHFFFAOYSA-N -1 3 378.233 3.242 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCn2c(nnc2C2CCCC2)C1 ZINC000528860158 567462542 /nfs/dbraw/zinc/46/25/42/567462542.db2.gz CDZVXVLCHOKTDM-UHFFFAOYSA-N -1 3 391.269 3.060 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1cc(Cl)cc(Cl)c1 ZINC000641953092 567462549 /nfs/dbraw/zinc/46/25/49/567462549.db2.gz NICCVLLONJCVCC-UHFFFAOYSA-N -1 3 377.224 3.050 20 0 GGADHM Cc1ccc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c([O-])c1 ZINC000436872130 567462774 /nfs/dbraw/zinc/46/27/74/567462774.db2.gz SLFAXDALZMWKRD-AWEZNQCLSA-N -1 3 378.266 3.044 20 0 GGADHM C[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000641983308 567463593 /nfs/dbraw/zinc/46/35/93/567463593.db2.gz AZEATTDJNSDNCX-JTQLQIEISA-N -1 3 398.834 3.038 20 0 GGADHM C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000641983309 567463828 /nfs/dbraw/zinc/46/38/28/567463828.db2.gz AZEATTDJNSDNCX-SNVBAGLBSA-N -1 3 398.834 3.038 20 0 GGADHM C[C@@H]1CCCN(CCNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000436908373 567464444 /nfs/dbraw/zinc/46/44/44/567464444.db2.gz IRSDKKMDJZVHDG-SNVBAGLBSA-N -1 3 375.694 3.270 20 0 GGADHM CCCCN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000642032769 567465096 /nfs/dbraw/zinc/46/50/96/567465096.db2.gz IQNFELBZHCILSR-UHFFFAOYSA-N -1 3 393.336 3.453 20 0 GGADHM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000619548780 567465266 /nfs/dbraw/zinc/46/52/66/567465266.db2.gz XNAYRXBUOGCJDC-QFIPXVFZSA-N -1 3 396.292 3.348 20 0 GGADHM CCn1cc(Br)c(=O)c(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436907395 567465238 /nfs/dbraw/zinc/46/52/38/567465238.db2.gz SLXIVRLDBJRLCD-UHFFFAOYSA-N -1 3 391.265 3.467 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000528888676 567465712 /nfs/dbraw/zinc/46/57/12/567465712.db2.gz LZBMIEDKNATXRR-IBGZPJMESA-N -1 3 388.261 3.469 20 0 GGADHM Cc1ccc([C@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000642047190 567465875 /nfs/dbraw/zinc/46/58/75/567465875.db2.gz PFWQPIFVVOQAKC-HNNXBMFYSA-N -1 3 380.535 3.253 20 0 GGADHM CCN(Cc1ccc(Cl)cc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000642037679 567466075 /nfs/dbraw/zinc/46/60/75/567466075.db2.gz KYBYIBQMSINLQW-UHFFFAOYSA-N -1 3 386.926 3.119 20 0 GGADHM O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436919755 567466198 /nfs/dbraw/zinc/46/61/98/567466198.db2.gz OVLUZODKXZLRST-CYBMUJFWSA-N -1 3 375.730 3.233 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000478559533 567466883 /nfs/dbraw/zinc/46/68/83/567466883.db2.gz HZNNPJQSSRYZNS-CZIWCDLHSA-N -1 3 378.881 3.388 20 0 GGADHM Cc1cc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)ccc1[O-] ZINC000436930650 567467126 /nfs/dbraw/zinc/46/71/26/567467126.db2.gz XJLKNIPDLWEGCY-UHFFFAOYSA-N -1 3 377.238 3.140 20 0 GGADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])n(C2CCOCC2)n1 ZINC000528906645 567467221 /nfs/dbraw/zinc/46/72/21/567467221.db2.gz WBOUCKMMMRWKGE-UHFFFAOYSA-N -1 3 380.242 3.263 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCc3sc(Cl)cc32)c([O-])c1 ZINC000436925590 567467310 /nfs/dbraw/zinc/46/73/10/567467310.db2.gz HHAAZEDEBVRXBQ-CYBMUJFWSA-N -1 3 378.881 3.339 20 0 GGADHM O=c1[nH]c(Cc2cccc(F)c2I)nc2ccc([O-])cc12 ZINC000436926143 567467319 /nfs/dbraw/zinc/46/73/19/567467319.db2.gz KOILIWZEAFTVKV-UHFFFAOYSA-N -1 3 396.159 3.376 20 0 GGADHM COc1cc(C)cc(-c2nc(Cc3cc(Br)c[nH]c3=O)no2)c1[O-] ZINC000436950401 567468612 /nfs/dbraw/zinc/46/86/12/567468612.db2.gz VJNRXLMPXCAYMW-UHFFFAOYSA-N -1 3 392.209 3.213 20 0 GGADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)NC[C@@H]1CCN1C1CCCCC1 ZINC000528933054 567469529 /nfs/dbraw/zinc/46/95/29/567469529.db2.gz DRRJVWZUDPFDKS-AWEZNQCLSA-N -1 3 377.539 3.217 20 0 GGADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(F)cc2nn[n-]c21 ZINC000503137142 567469710 /nfs/dbraw/zinc/46/97/10/567469710.db2.gz KDJDDCNLZXOJBI-UHFFFAOYSA-N -1 3 375.201 3.279 20 0 GGADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(F)cc2[n-]nnc21 ZINC000503137142 567469713 /nfs/dbraw/zinc/46/97/13/567469713.db2.gz KDJDDCNLZXOJBI-UHFFFAOYSA-N -1 3 375.201 3.279 20 0 GGADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000503137142 567469717 /nfs/dbraw/zinc/46/97/17/567469717.db2.gz KDJDDCNLZXOJBI-UHFFFAOYSA-N -1 3 375.201 3.279 20 0 GGADHM COC(=O)c1cnc(SCc2csc(-c3ccc(O)c(OC)c3)n2)[n-]1 ZINC000436957209 567470237 /nfs/dbraw/zinc/47/02/37/567470237.db2.gz WPWYYFFWOFBJOO-UHFFFAOYSA-N -1 3 377.447 3.326 20 0 GGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000642205426 567471828 /nfs/dbraw/zinc/47/18/28/567471828.db2.gz LZLCVWVBNDBYON-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000642205426 567471834 /nfs/dbraw/zinc/47/18/34/567471834.db2.gz LZLCVWVBNDBYON-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000642205426 567471838 /nfs/dbraw/zinc/47/18/38/567471838.db2.gz LZLCVWVBNDBYON-UHFFFAOYSA-N -1 3 399.208 3.265 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000570272988 567472263 /nfs/dbraw/zinc/47/22/63/567472263.db2.gz CDJGMZOBUKTGPX-UHFFFAOYSA-N -1 3 384.248 3.115 20 0 GGADHM CCCCCn1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C)n1 ZINC000503217894 567473495 /nfs/dbraw/zinc/47/34/95/567473495.db2.gz HIZBUXBZNDKBIZ-UHFFFAOYSA-N -1 3 375.416 3.278 20 0 GGADHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)n1 ZINC000503208411 567473984 /nfs/dbraw/zinc/47/39/84/567473984.db2.gz OTKYDNPLYHKQQJ-UHFFFAOYSA-N -1 3 375.416 3.278 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)n2)c1 ZINC000503218058 567474138 /nfs/dbraw/zinc/47/41/38/567474138.db2.gz IVFYFFVJLZIKNX-UHFFFAOYSA-N -1 3 384.885 3.399 20 0 GGADHM CCC(C)(C)OCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000457546343 567474125 /nfs/dbraw/zinc/47/41/25/567474125.db2.gz SSUBQOHEBPYEDE-UHFFFAOYSA-N -1 3 382.404 3.221 20 0 GGADHM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(I)ccc1[O-] ZINC000437003733 567474092 /nfs/dbraw/zinc/47/40/92/567474092.db2.gz PHZRZFAISCONNI-UHFFFAOYSA-N -1 3 393.184 3.434 20 0 GGADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])NC(=O)c1ccccc1 ZINC000642323675 567474943 /nfs/dbraw/zinc/47/49/43/567474943.db2.gz JRPOHPMCEVISMR-LLVKDONJSA-N -1 3 377.238 3.302 20 0 GGADHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000570310930 567475149 /nfs/dbraw/zinc/47/51/49/567475149.db2.gz NJPNZEIPWCMJSE-NSHDSACASA-N -1 3 386.411 3.123 20 0 GGADHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCCC1 ZINC000570331266 567475858 /nfs/dbraw/zinc/47/58/58/567475858.db2.gz YLKUZVHHXFLHMB-UHFFFAOYSA-N -1 3 385.429 3.311 20 0 GGADHM Cc1ncc(CNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000529007396 567476568 /nfs/dbraw/zinc/47/65/68/567476568.db2.gz ABTQCFWETYMWMC-AWEZNQCLSA-N -1 3 384.263 3.173 20 0 GGADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)N(C)C)c1 ZINC000551085495 567476742 /nfs/dbraw/zinc/47/67/42/567476742.db2.gz ZMTUUDTXYBDVSE-INIZCTEOSA-N -1 3 386.876 3.069 20 0 GGADHM CCC(C)(C)OCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000457596585 567476989 /nfs/dbraw/zinc/47/69/89/567476989.db2.gz KXUZIYBKPOWFFW-UHFFFAOYSA-N -1 3 392.880 3.064 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)c1ccncc1 ZINC000594453068 567477240 /nfs/dbraw/zinc/47/72/40/567477240.db2.gz GENRTGBQZJBCMU-CYBMUJFWSA-N -1 3 386.832 3.090 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478701251 567476955 /nfs/dbraw/zinc/47/69/55/567476955.db2.gz HOUFDIYUXABTAN-UFBFGSQYSA-N -1 3 386.823 3.261 20 0 GGADHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000503245896 567477153 /nfs/dbraw/zinc/47/71/53/567477153.db2.gz LMULWUAPPKNIAR-LLVKDONJSA-N -1 3 388.272 3.284 20 0 GGADHM Cc1ncc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)c(C)n1 ZINC000551073903 567477491 /nfs/dbraw/zinc/47/74/91/567477491.db2.gz XQBUOQPRBGRONP-UHFFFAOYSA-N -1 3 398.224 3.358 20 0 GGADHM Cc1ncc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)c(C)n1 ZINC000551073903 567477496 /nfs/dbraw/zinc/47/74/96/567477496.db2.gz XQBUOQPRBGRONP-UHFFFAOYSA-N -1 3 398.224 3.358 20 0 GGADHM Cc1ncc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c(C)n1 ZINC000551073903 567477502 /nfs/dbraw/zinc/47/75/02/567477502.db2.gz XQBUOQPRBGRONP-UHFFFAOYSA-N -1 3 398.224 3.358 20 0 GGADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)CCc2ccccc2)cc1OC ZINC000551115706 567479493 /nfs/dbraw/zinc/47/94/93/567479493.db2.gz LVTRPEYHTAVCLW-UHFFFAOYSA-N -1 3 383.853 3.120 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000642400600 567479638 /nfs/dbraw/zinc/47/96/38/567479638.db2.gz VDNURQPJNHEFQW-AWEZNQCLSA-N -1 3 377.539 3.031 20 0 GGADHM CCSc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N2CCCC2)s1 ZINC000642400601 567479696 /nfs/dbraw/zinc/47/96/96/567479696.db2.gz VDNURQPJNHEFQW-CQSZACIVSA-N -1 3 377.539 3.031 20 0 GGADHM C[C@H](c1nccs1)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529044386 567480720 /nfs/dbraw/zinc/48/07/20/567480720.db2.gz QWKUIFNCSMLNMU-LLVKDONJSA-N -1 3 396.310 3.130 20 0 GGADHM C[C@@H](c1nccs1)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529044388 567480787 /nfs/dbraw/zinc/48/07/87/567480787.db2.gz QWKUIFNCSMLNMU-NSHDSACASA-N -1 3 396.310 3.130 20 0 GGADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000642523572 567481175 /nfs/dbraw/zinc/48/11/75/567481175.db2.gz TWJFBVXZAMNYQJ-LLVKDONJSA-N -1 3 384.851 3.369 20 0 GGADHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)C ZINC000478766388 567482271 /nfs/dbraw/zinc/48/22/71/567482271.db2.gz XEXOURYENITCNN-OAHLLOKOSA-N -1 3 381.416 3.352 20 0 GGADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C(C)C ZINC000551167572 567482538 /nfs/dbraw/zinc/48/25/38/567482538.db2.gz NPPSGSDVKHYJSZ-UHFFFAOYSA-N -1 3 390.933 3.011 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccc(Cl)cc1 ZINC000551167172 567482594 /nfs/dbraw/zinc/48/25/94/567482594.db2.gz INNOAIKBULUETP-OAHLLOKOSA-N -1 3 386.901 3.433 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCC2)s1 ZINC000478778058 567482760 /nfs/dbraw/zinc/48/27/60/567482760.db2.gz ACUYQSAMAWVZRX-UHFFFAOYSA-N -1 3 383.466 3.118 20 0 GGADHM CC(C)(C)OCc1cc(CNC(=O)c2cc([O-])cc(Br)c2)no1 ZINC000529066874 567483355 /nfs/dbraw/zinc/48/33/55/567483355.db2.gz HGTJNIYLOAOOAB-UHFFFAOYSA-N -1 3 383.242 3.388 20 0 GGADHM CC(C)Oc1c(Cl)cccc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503414750 567483434 /nfs/dbraw/zinc/48/34/34/567483434.db2.gz LJMCBRLEHANZAC-UHFFFAOYSA-N -1 3 383.857 3.146 20 0 GGADHM C[C@]1(c2cccc(C(F)(F)F)c2)[N-]C(=O)N(Cc2nnsc2Cl)C1=O ZINC000642611363 567483664 /nfs/dbraw/zinc/48/36/64/567483664.db2.gz UMJNSIBOVQCOEH-CYBMUJFWSA-N -1 3 390.774 3.178 20 0 GGADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000551174502 567483978 /nfs/dbraw/zinc/48/39/78/567483978.db2.gz XFRXBOUODTYXPS-QFIPXVFZSA-N -1 3 379.837 3.298 20 0 GGADHM O=S(=O)([N-][C@H]1CCSc2ccc(Cl)cc21)c1cn2c(n1)CCCC2 ZINC000503438849 567484208 /nfs/dbraw/zinc/48/42/08/567484208.db2.gz UFGBYYVYVZNPGH-ZDUSSCGKSA-N -1 3 383.926 3.388 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)s1 ZINC000478792192 567484459 /nfs/dbraw/zinc/48/44/59/567484459.db2.gz ZOGYHONYTRETGM-LLVKDONJSA-N -1 3 391.440 3.028 20 0 GGADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc(C)s1 ZINC000503428955 567484552 /nfs/dbraw/zinc/48/45/52/567484552.db2.gz FFAZYWZTFSDEFJ-UHFFFAOYSA-N -1 3 394.287 3.445 20 0 GGADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503431156 567484608 /nfs/dbraw/zinc/48/46/08/567484608.db2.gz SLMCPBWBLWJABN-SNVBAGLBSA-N -1 3 398.294 3.080 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)cc1F ZINC000551171260 567484635 /nfs/dbraw/zinc/48/46/35/567484635.db2.gz HDJFNVBRQZGVER-QFIPXVFZSA-N -1 3 375.874 3.467 20 0 GGADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503431155 567484759 /nfs/dbraw/zinc/48/47/59/567484759.db2.gz SLMCPBWBLWJABN-JTQLQIEISA-N -1 3 398.294 3.080 20 0 GGADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000570433639 567484840 /nfs/dbraw/zinc/48/48/40/567484840.db2.gz GCPGYOLRVJBQKY-UHFFFAOYSA-N -1 3 382.869 3.094 20 0 GGADHM Cc1nc(C)c(CC(=O)NC(C)(C)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000478821672 567485809 /nfs/dbraw/zinc/48/58/09/567485809.db2.gz IVVWUGDTWCIQTB-UHFFFAOYSA-N -1 3 378.270 3.156 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000437285417 567486522 /nfs/dbraw/zinc/48/65/22/567486522.db2.gz AJZSCUYXQLIJQX-XHDPSFHLSA-N -1 3 375.211 3.163 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2nc3c(s2)CCC3)ccc1F ZINC000642798357 567487440 /nfs/dbraw/zinc/48/74/40/567487440.db2.gz LNNOFZUSPWILBL-UHFFFAOYSA-N -1 3 383.514 3.460 20 0 GGADHM O=S(=O)([N-]C1(c2ccc(Cl)c(Cl)c2)CC1)c1cn2c(n1)CCCC2 ZINC000503473031 567487599 /nfs/dbraw/zinc/48/75/99/567487599.db2.gz GAGQGSFDLAWMBJ-UHFFFAOYSA-N -1 3 386.304 3.494 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)oc1C ZINC000437288311 567487743 /nfs/dbraw/zinc/48/77/43/567487743.db2.gz MRACBECMBSFMSG-QWRGUYRKSA-N -1 3 383.388 3.022 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000437298107 567488094 /nfs/dbraw/zinc/48/80/94/567488094.db2.gz FGRKSXMCQJFQAJ-KOLCDFICSA-N -1 3 385.429 3.182 20 0 GGADHM COc1cc([N-]S(=O)(=O)CCOCC2CC2)c(Cl)cc1Br ZINC000663261541 567488279 /nfs/dbraw/zinc/48/82/79/567488279.db2.gz KQOWCPXKSAUMNF-UHFFFAOYSA-N -1 3 398.706 3.279 20 0 GGADHM O=S(=O)([N-]C1CC1)c1cc(NCc2nc3c(s2)CCCC3)ccc1F ZINC000642806324 567489190 /nfs/dbraw/zinc/48/91/90/567489190.db2.gz WVQNHDWLTXDYMU-UHFFFAOYSA-N -1 3 381.498 3.214 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CC)CCC2)cc1 ZINC000437302553 567489595 /nfs/dbraw/zinc/48/95/95/567489595.db2.gz HSOCCFTYABGDJS-UHFFFAOYSA-N -1 3 388.555 3.087 20 0 GGADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2sccc2Br)cs1 ZINC000437299299 567489821 /nfs/dbraw/zinc/48/98/21/567489821.db2.gz SEMQXVRKHCCAQF-ZETCQYMHSA-N -1 3 397.341 3.153 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437308645 567489859 /nfs/dbraw/zinc/48/98/59/567489859.db2.gz UBIHBHUNYCMJEU-ZJUUUORDSA-N -1 3 385.429 3.182 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000503508968 567490057 /nfs/dbraw/zinc/49/00/57/567490057.db2.gz MIZWJZQZKJTLAO-UHFFFAOYSA-N -1 3 383.210 3.350 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000503508968 567490059 /nfs/dbraw/zinc/49/00/59/567490059.db2.gz MIZWJZQZKJTLAO-UHFFFAOYSA-N -1 3 383.210 3.350 20 0 GGADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000503508968 567490062 /nfs/dbraw/zinc/49/00/62/567490062.db2.gz MIZWJZQZKJTLAO-UHFFFAOYSA-N -1 3 383.210 3.350 20 0 GGADHM [O-]c1cccnc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000570503921 567491009 /nfs/dbraw/zinc/49/10/09/567491009.db2.gz PGSWHCMBKQYINZ-ZDUSSCGKSA-N -1 3 391.187 3.392 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000503540534 567492767 /nfs/dbraw/zinc/49/27/67/567492767.db2.gz SKLBRIRKBHZAAI-MRXNPFEDSA-N -1 3 379.869 3.084 20 0 GGADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000503540533 567492844 /nfs/dbraw/zinc/49/28/44/567492844.db2.gz SKLBRIRKBHZAAI-INIZCTEOSA-N -1 3 379.869 3.084 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(C)C)s1 ZINC000437336560 567493126 /nfs/dbraw/zinc/49/31/26/567493126.db2.gz HIRSFFYBATVWDJ-AWEZNQCLSA-N -1 3 385.482 3.219 20 0 GGADHM CCC1(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Br)CCC1 ZINC000437334486 567494001 /nfs/dbraw/zinc/49/40/01/567494001.db2.gz VUPARFQQNKIOOB-UHFFFAOYSA-N -1 3 390.299 3.094 20 0 GGADHM CCC[C@]1(C)CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000437387200 567494590 /nfs/dbraw/zinc/49/45/90/567494590.db2.gz TZCJLEHYJQKGLA-OAHLLOKOSA-N -1 3 378.947 3.109 20 0 GGADHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643197148 567495846 /nfs/dbraw/zinc/49/58/46/567495846.db2.gz RICDJHJCXLVDPR-JQWIXIFHSA-N -1 3 379.425 3.210 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1cc(F)ccc1F)c1ccc(C(F)(F)F)s1 ZINC000643196365 567495908 /nfs/dbraw/zinc/49/59/08/567495908.db2.gz AEJSFACJXQCDPL-SNVBAGLBSA-N -1 3 387.351 3.057 20 0 GGADHM CCCN(CC1CCCCC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437410015 567496006 /nfs/dbraw/zinc/49/60/06/567496006.db2.gz LCMHPTZXCAVOTK-UHFFFAOYSA-N -1 3 387.571 3.028 20 0 GGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000570577131 567496319 /nfs/dbraw/zinc/49/63/19/567496319.db2.gz TVUNGJQPIGFVQE-NDGTYSDOSA-N -1 3 396.281 3.296 20 0 GGADHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000643188945 567496371 /nfs/dbraw/zinc/49/63/71/567496371.db2.gz BQJRHYWNLVRQLX-UHFFFAOYSA-N -1 3 398.472 3.082 20 0 GGADHM O=S(=O)([N-]C[C@@H]1OCCc2ccccc21)c1ccc(C(F)(F)F)s1 ZINC000643195218 567496573 /nfs/dbraw/zinc/49/65/73/567496573.db2.gz YTUSNVRYJYCXOJ-LBPRGKRZSA-N -1 3 377.409 3.359 20 0 GGADHM CC(C)CCN(CCC(C)C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437410152 567496750 /nfs/dbraw/zinc/49/67/50/567496750.db2.gz SNWFOCLXCPQFBA-UHFFFAOYSA-N -1 3 389.587 3.130 20 0 GGADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)nc12 ZINC000643199648 567498041 /nfs/dbraw/zinc/49/80/41/567498041.db2.gz VLESYVMTDAGVGS-UHFFFAOYSA-N -1 3 389.424 3.244 20 0 GGADHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000643201201 567498427 /nfs/dbraw/zinc/49/84/27/567498427.db2.gz QZEQGKUVRNLIMG-UHFFFAOYSA-N -1 3 380.413 3.082 20 0 GGADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000643209175 567499192 /nfs/dbraw/zinc/49/91/92/567499192.db2.gz WKVPEXUODQASLU-UHFFFAOYSA-N -1 3 383.844 3.163 20 0 GGADHM O=S(=O)([N-][C@@H]1CCc2cc(O)ccc2C1)c1ccc(C(F)(F)F)s1 ZINC000643207252 567499763 /nfs/dbraw/zinc/49/97/63/567499763.db2.gz PXRTXTGELNACJB-LLVKDONJSA-N -1 3 377.409 3.308 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)CC2)c1Cl ZINC000643216503 567500650 /nfs/dbraw/zinc/50/06/50/567500650.db2.gz GQPURZMEGBBLHU-HAQNSBGRSA-N -1 3 393.336 3.180 20 0 GGADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)C(F)(F)F ZINC000594699634 567500742 /nfs/dbraw/zinc/50/07/42/567500742.db2.gz LWKICSKWUCJTTR-CQSZACIVSA-N -1 3 375.368 3.002 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc3c(cc2Cl)CCC3)s1 ZINC000529294974 567503405 /nfs/dbraw/zinc/50/34/05/567503405.db2.gz ZPHVAPRVCBEETQ-UHFFFAOYSA-N -1 3 399.925 3.120 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)s1 ZINC000570669371 567503569 /nfs/dbraw/zinc/50/35/69/567503569.db2.gz RUQZLZHADKLMIP-GXTWGEPZSA-N -1 3 399.925 3.370 20 0 GGADHM O=S(=O)([N-]CCCOCCOCc1ccccc1)c1ccc(Cl)s1 ZINC000503729215 567503914 /nfs/dbraw/zinc/50/39/14/567503914.db2.gz CVLUUNPCTLPEQP-UHFFFAOYSA-N -1 3 389.926 3.303 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000570669375 567504078 /nfs/dbraw/zinc/50/40/78/567504078.db2.gz RUQZLZHADKLMIP-TZMCWYRMSA-N -1 3 399.925 3.370 20 0 GGADHM CCOc1c(Br)cc(CNC2(C(=O)[O-])CC2)cc1Br ZINC000551420966 567504465 /nfs/dbraw/zinc/50/44/65/567504465.db2.gz PHJGVJIMBOEIFD-UHFFFAOYSA-N -1 3 393.075 3.317 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCOC1 ZINC000503765348 567504549 /nfs/dbraw/zinc/50/45/49/567504549.db2.gz NDUHFHSTGRFYBT-UWVGGRQHSA-N -1 3 382.707 3.196 20 0 GGADHM O=C([N-]c1cnns1)C(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000551433164 567505918 /nfs/dbraw/zinc/50/59/18/567505918.db2.gz JMNBESRDLKEUJP-ZIAGYGMSSA-N -1 3 378.885 3.363 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)c(Br)c1)c1ccco1 ZINC000503785380 567506371 /nfs/dbraw/zinc/50/63/71/567506371.db2.gz GMZIOXUTQBVTOU-AWEZNQCLSA-N -1 3 388.283 3.407 20 0 GGADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c1 ZINC000479129502 567506560 /nfs/dbraw/zinc/50/65/60/567506560.db2.gz MFOBACVDVCBGRC-OAHLLOKOSA-N -1 3 379.400 3.099 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC000503801779 567506957 /nfs/dbraw/zinc/50/69/57/567506957.db2.gz WBGPGFRVXAEOPD-LBPRGKRZSA-N -1 3 375.416 3.392 20 0 GGADHM O=S(=O)([N-]CC1(c2ccc(F)cc2Cl)CC1)c1cn2c(n1)CCCC2 ZINC000503827389 567507699 /nfs/dbraw/zinc/50/76/99/567507699.db2.gz YWDJWRKNUJFFPC-UHFFFAOYSA-N -1 3 383.876 3.022 20 0 GGADHM O=S(=O)([N-]C1(c2c(Cl)cccc2Cl)CC1)c1cn2c(n1)CCCC2 ZINC000503829751 567507778 /nfs/dbraw/zinc/50/77/78/567507778.db2.gz LTFXESQKYMEZMH-UHFFFAOYSA-N -1 3 386.304 3.494 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2)c1ccco1 ZINC000503843615 567508129 /nfs/dbraw/zinc/50/81/29/567508129.db2.gz GITXHUPMSDKCLX-NHYWBVRUSA-N -1 3 385.869 3.313 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000529363990 567509875 /nfs/dbraw/zinc/50/98/75/567509875.db2.gz DJNGRTGBMIAUCM-ZDUSSCGKSA-N -1 3 382.176 3.074 20 0 GGADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000529363989 567509928 /nfs/dbraw/zinc/50/99/28/567509928.db2.gz DJNGRTGBMIAUCM-CYBMUJFWSA-N -1 3 382.176 3.074 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)nc(C)n1 ZINC000551489042 567511451 /nfs/dbraw/zinc/51/14/51/567511451.db2.gz VEIMKUYUSYFTMB-UHFFFAOYSA-N -1 3 394.909 3.349 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1C)c1ccco1 ZINC000503881875 567511549 /nfs/dbraw/zinc/51/15/49/567511549.db2.gz DLEORNDWKJZJLG-JTQLQIEISA-N -1 3 394.312 3.468 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)N2CCCC2)o1 ZINC000551498088 567511714 /nfs/dbraw/zinc/51/17/14/567511714.db2.gz NBSHPBZCWIHMCA-HNNXBMFYSA-N -1 3 386.876 3.496 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000594774893 567511866 /nfs/dbraw/zinc/51/18/66/567511866.db2.gz HDJZWHRAAOBNIU-LLVKDONJSA-N -1 3 383.728 3.409 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000620337519 567513280 /nfs/dbraw/zinc/51/32/80/567513280.db2.gz FUTDNLOEEYPVTI-CZUORRHYSA-N -1 3 378.519 3.025 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000620337518 567513955 /nfs/dbraw/zinc/51/39/55/567513955.db2.gz FUTDNLOEEYPVTI-CJNGLKHVSA-N -1 3 378.519 3.025 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)s1 ZINC000503934769 567514082 /nfs/dbraw/zinc/51/40/82/567514082.db2.gz BGKYMVIACCLMJD-UHFFFAOYSA-N -1 3 383.466 3.074 20 0 GGADHM CC1(c2cccc(CNC(=O)c3cc([O-])cc(Br)c3)c2)OCCO1 ZINC000529420975 567514324 /nfs/dbraw/zinc/51/43/24/567514324.db2.gz GRTFPTNBOFBFNX-UHFFFAOYSA-N -1 3 392.249 3.304 20 0 GGADHM CC1(C)CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](C(F)(F)F)O1 ZINC000529418664 567514372 /nfs/dbraw/zinc/51/43/72/567514372.db2.gz PKHHSCWJBAZCRD-NSHDSACASA-N -1 3 382.176 3.337 20 0 GGADHM O=C(Nc1nnc(C2CCOCC2)s1)c1cc([O-])cc(Br)c1 ZINC000529434595 567515402 /nfs/dbraw/zinc/51/54/02/567515402.db2.gz CHHMPMQLCKEWLE-UHFFFAOYSA-N -1 3 384.255 3.153 20 0 GGADHM Cc1c(NC(=O)c2cc([O-])cc(Br)c2)cnn1C1CCOCC1 ZINC000529435937 567515679 /nfs/dbraw/zinc/51/56/79/567515679.db2.gz VRFGMCOCNQQLLY-UHFFFAOYSA-N -1 3 380.242 3.263 20 0 GGADHM CSCC1(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000594816600 567515795 /nfs/dbraw/zinc/51/57/95/567515795.db2.gz WRVZMUKSYYGLCX-UHFFFAOYSA-N -1 3 382.320 3.400 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)cc1Cl ZINC000479219687 567515915 /nfs/dbraw/zinc/51/59/15/567515915.db2.gz HZPDEIPMYOEBDR-SECBINFHSA-N -1 3 398.308 3.401 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)s1 ZINC000479226962 567516505 /nfs/dbraw/zinc/51/65/05/567516505.db2.gz OLOPMQVAIUCONG-QMMMGPOBSA-N -1 3 398.344 3.218 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)cc1Cl ZINC000479219688 567516530 /nfs/dbraw/zinc/51/65/30/567516530.db2.gz HZPDEIPMYOEBDR-VIFPVBQESA-N -1 3 398.308 3.401 20 0 GGADHM CSCC1(CC[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000594822057 567518035 /nfs/dbraw/zinc/51/80/35/567518035.db2.gz YOTGMWFIKCYNIN-UHFFFAOYSA-N -1 3 388.942 3.036 20 0 GGADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)no1 ZINC000551560984 567518502 /nfs/dbraw/zinc/51/85/02/567518502.db2.gz MLTYLKZVHDVXNM-UHFFFAOYSA-N -1 3 381.479 3.308 20 0 GGADHM Cc1ccc(C[C@H](CO)NC(=O)c2cc([O-])cc(Br)c2)cc1C ZINC000529477437 567518860 /nfs/dbraw/zinc/51/88/60/567518860.db2.gz ZQBVREPWTDGUQQ-MRXNPFEDSA-N -1 3 378.266 3.105 20 0 GGADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000570872030 567518842 /nfs/dbraw/zinc/51/88/42/567518842.db2.gz UXLZCKGFHMZFBZ-UHFFFAOYSA-N -1 3 383.882 3.279 20 0 GGADHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000479252354 567518892 /nfs/dbraw/zinc/51/88/92/567518892.db2.gz REQIXQRBVRKQIA-GFCCVEGCSA-N -1 3 382.507 3.209 20 0 GGADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1Cl ZINC000570859372 567519067 /nfs/dbraw/zinc/51/90/67/567519067.db2.gz ZVKLUOHBDOEXSD-UHFFFAOYSA-N -1 3 375.233 3.323 20 0 GGADHM CC(C)OCCOC1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529466237 567519309 /nfs/dbraw/zinc/51/93/09/567519309.db2.gz IOHXHARRPHKIJT-UHFFFAOYSA-N -1 3 386.286 3.201 20 0 GGADHM CCC1(CC)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000504035609 567519514 /nfs/dbraw/zinc/51/95/14/567519514.db2.gz PNHUWEJQFOEFSV-UHFFFAOYSA-N -1 3 378.416 3.339 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C)c1C ZINC000504056780 567520836 /nfs/dbraw/zinc/52/08/36/567520836.db2.gz HOBMCEVLFUOJEC-UHFFFAOYSA-N -1 3 386.926 3.350 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000479269631 567520901 /nfs/dbraw/zinc/52/09/01/567520901.db2.gz LUADVQGBNUQQEF-UHFFFAOYSA-N -1 3 375.841 3.304 20 0 GGADHM CC(C)CC[C@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000438168605 567521984 /nfs/dbraw/zinc/52/19/84/567521984.db2.gz ULJFPQTVWHXATC-OAHLLOKOSA-N -1 3 387.571 3.027 20 0 GGADHM CC(=O)c1cc(F)ccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000643884048 567522215 /nfs/dbraw/zinc/52/22/15/567522215.db2.gz DHNIZFGGGXLDKZ-UHFFFAOYSA-N -1 3 382.482 3.037 20 0 GGADHM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1cc([O-])cc(Br)c1 ZINC000529506980 567522741 /nfs/dbraw/zinc/52/27/41/567522741.db2.gz MZQYKKLEVBNAEQ-GOSISDBHSA-N -1 3 376.250 3.061 20 0 GGADHM CC(C)(CO)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccnc1 ZINC000529518621 567522770 /nfs/dbraw/zinc/52/27/70/567522770.db2.gz LDKKBQJCDKMZPP-HNNXBMFYSA-N -1 3 379.254 3.039 20 0 GGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000458118680 567523389 /nfs/dbraw/zinc/52/33/89/567523389.db2.gz VEDDVPFTKGAPMR-PBHICJAKSA-N -1 3 398.575 3.453 20 0 GGADHM O=C(NC[C@@H]1CCN1Cc1ccccc1)c1cc([O-])cc(Br)c1 ZINC000529525787 567524351 /nfs/dbraw/zinc/52/43/51/567524351.db2.gz BWRCFPDCRJBGSE-INIZCTEOSA-N -1 3 375.266 3.159 20 0 GGADHM CC[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000570978543 567526422 /nfs/dbraw/zinc/52/64/22/567526422.db2.gz XMZUJQZDIUDLTI-NSHDSACASA-N -1 3 398.834 3.038 20 0 GGADHM COCc1ncc(C(=O)[N-]c2cccc(Cl)c2S(=O)(=O)C(C)C)s1 ZINC000570981543 567526589 /nfs/dbraw/zinc/52/65/89/567526589.db2.gz QLUQSAXAPJXIRU-UHFFFAOYSA-N -1 3 388.898 3.377 20 0 GGADHM CC(C)(C)CCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438338208 567526886 /nfs/dbraw/zinc/52/68/86/567526886.db2.gz OXBYCGKDMOGFBM-UHFFFAOYSA-N -1 3 381.420 3.085 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc2ccc(Cl)cc2n1 ZINC000504277375 567528129 /nfs/dbraw/zinc/52/81/29/567528129.db2.gz SAQJYRYSYNFLIJ-UHFFFAOYSA-N -1 3 395.893 3.257 20 0 GGADHM CCCN(CCC)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438356590 567529279 /nfs/dbraw/zinc/52/92/79/567529279.db2.gz UZOYTAXSXFNGBV-UHFFFAOYSA-N -1 3 381.420 3.181 20 0 GGADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1cncc(C(=O)OC)c1)c1cccs1 ZINC000571004816 567530159 /nfs/dbraw/zinc/53/01/59/567530159.db2.gz PHOJOCPKVSHTPR-INIZCTEOSA-N -1 3 382.507 3.386 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc([O-])ccc1Cl ZINC000551685186 567530298 /nfs/dbraw/zinc/53/02/98/567530298.db2.gz OHSSQRYUPMDPDS-UHFFFAOYSA-N -1 3 383.231 3.466 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1 ZINC000620624590 567530487 /nfs/dbraw/zinc/53/04/87/567530487.db2.gz PHOPEMUMPPQJLY-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1cncc(C(=O)OC)c1)c1cccs1 ZINC000571004817 567530500 /nfs/dbraw/zinc/53/05/00/567530500.db2.gz PHOJOCPKVSHTPR-MRXNPFEDSA-N -1 3 382.507 3.386 20 0 GGADHM CS(=O)(=O)c1cc([N-]C(=O)c2ncc(Br)s2)ccc1Cl ZINC000644078830 567531102 /nfs/dbraw/zinc/53/11/02/567531102.db2.gz ZOKRGAVEZHHMMN-UHFFFAOYSA-N -1 3 395.687 3.215 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 ZINC000620624752 567531328 /nfs/dbraw/zinc/53/13/28/567531328.db2.gz WLLOETZLPTVFTP-LBPRGKRZSA-N -1 3 386.851 3.423 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)ccc1OC(F)F ZINC000571036111 567532022 /nfs/dbraw/zinc/53/20/22/567532022.db2.gz XTALRXRDTRLXCT-TUAOUCFPSA-N -1 3 381.828 3.177 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Cl)ccc1OC(F)F ZINC000571036112 567532043 /nfs/dbraw/zinc/53/20/43/567532043.db2.gz XTALRXRDTRLXCT-UTUOFQBUSA-N -1 3 381.828 3.177 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000438525333 567534321 /nfs/dbraw/zinc/53/43/21/567534321.db2.gz VDPQBZASRFCBOM-AAEUAGOBSA-N -1 3 378.416 3.157 20 0 GGADHM CCC1(CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000438519374 567534907 /nfs/dbraw/zinc/53/49/07/567534907.db2.gz SADWANOVDLVSOC-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000479431254 567535268 /nfs/dbraw/zinc/53/52/68/567535268.db2.gz YIGMESLWRWWWOW-VHSXEESVSA-N -1 3 382.345 3.383 20 0 GGADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1cccc(Br)c1F ZINC000571080908 567536175 /nfs/dbraw/zinc/53/61/75/567536175.db2.gz LMUMLNNZJKRUQT-SNVBAGLBSA-N -1 3 386.242 3.043 20 0 GGADHM COCCOCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000504488220 567537161 /nfs/dbraw/zinc/53/71/61/567537161.db2.gz LETAYVVEDSKEJP-UHFFFAOYSA-N -1 3 389.823 3.080 20 0 GGADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000479457609 567537217 /nfs/dbraw/zinc/53/72/17/567537217.db2.gz OOIYTDIQRXPVPR-BXUZGUMPSA-N -1 3 394.306 3.460 20 0 GGADHM CC[C@@H]1OCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000458289071 567537549 /nfs/dbraw/zinc/53/75/49/567537549.db2.gz LRESERDBWZQHLB-OLZOCXBDSA-N -1 3 399.672 3.241 20 0 GGADHM CC[C@@H]1OCC[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000458289071 567537556 /nfs/dbraw/zinc/53/75/56/567537556.db2.gz LRESERDBWZQHLB-OLZOCXBDSA-N -1 3 399.672 3.241 20 0 GGADHM O=C1CCCN1[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000571106337 567537675 /nfs/dbraw/zinc/53/76/75/567537675.db2.gz GHPLBLPOJWSQRL-RYUDHWBXSA-N -1 3 391.320 3.205 20 0 GGADHM COCCC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000529631434 567538167 /nfs/dbraw/zinc/53/81/67/567538167.db2.gz JHXQEZYVMNFNHB-UHFFFAOYSA-N -1 3 393.281 3.179 20 0 GGADHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000479504744 567540592 /nfs/dbraw/zinc/54/05/92/567540592.db2.gz YHVDPNASUSWFJQ-GFCCVEGCSA-N -1 3 387.860 3.481 20 0 GGADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)s1 ZINC000644230424 567543286 /nfs/dbraw/zinc/54/32/86/567543286.db2.gz RQYDMXBGNNRMQS-YPMHNXCESA-N -1 3 394.509 3.439 20 0 GGADHM Cc1nc([N-]C(=O)c2c(F)cc(Br)cc2F)n(-c2ccccc2)n1 ZINC000479567071 567545015 /nfs/dbraw/zinc/54/50/15/567545015.db2.gz PFBRXMJPILKWOC-UHFFFAOYSA-N -1 3 393.191 3.291 20 0 GGADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2csc3cc(C)ccc23)s1 ZINC000479566714 567545574 /nfs/dbraw/zinc/54/55/74/567545574.db2.gz LVJQJTSJSKEHKP-UHFFFAOYSA-N -1 3 380.516 3.109 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)cn1 ZINC000571232626 567548283 /nfs/dbraw/zinc/54/82/83/567548283.db2.gz XFLJLPMYOMKCEP-UHFFFAOYSA-N -1 3 389.702 3.327 20 0 GGADHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000551986065 567548248 /nfs/dbraw/zinc/54/82/48/567548248.db2.gz WOUAXXIKZAKRGU-HIFRSBDPSA-N -1 3 387.929 3.470 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1c1ccccc1Cl ZINC000571240634 567548352 /nfs/dbraw/zinc/54/83/52/567548352.db2.gz PVNBLSVGJFYWSK-HNNXBMFYSA-N -1 3 399.299 3.218 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1c1ccccc1Cl ZINC000571240636 567548358 /nfs/dbraw/zinc/54/83/58/567548358.db2.gz PVNBLSVGJFYWSK-OAHLLOKOSA-N -1 3 399.299 3.218 20 0 GGADHM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000552017461 567550762 /nfs/dbraw/zinc/55/07/62/567550762.db2.gz IAOSIMHSGVWIAX-UHFFFAOYSA-N -1 3 387.910 3.036 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H](CO)C1CCCCC1 ZINC000458548300 567553635 /nfs/dbraw/zinc/55/36/35/567553635.db2.gz IZFHSEOHRWHSNF-CQSZACIVSA-N -1 3 385.302 3.143 20 0 GGADHM CC(C)CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000438940301 567554416 /nfs/dbraw/zinc/55/44/16/567554416.db2.gz BQDQXDBCLIALNF-GFCCVEGCSA-N -1 3 395.388 3.299 20 0 GGADHM CC(=O)c1cccc(NC(=O)Cc2ccc(I)cc2)c1[O-] ZINC000552069896 567555320 /nfs/dbraw/zinc/55/53/20/567555320.db2.gz PNPYQTNJKWGFJC-UHFFFAOYSA-N -1 3 395.196 3.381 20 0 GGADHM CCSC1(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 ZINC000595349507 567556009 /nfs/dbraw/zinc/55/60/09/567556009.db2.gz ZJDLTWBGJSNOMU-UHFFFAOYSA-N -1 3 398.319 3.161 20 0 GGADHM CCSC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 ZINC000595350245 567556065 /nfs/dbraw/zinc/55/60/65/567556065.db2.gz FTGDIHLYLZJQKY-UHFFFAOYSA-N -1 3 398.319 3.161 20 0 GGADHM CN(C[C@H]1CC1(C)C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000621043794 567556724 /nfs/dbraw/zinc/55/67/24/567556724.db2.gz GCVBISGISYFSHA-GFCCVEGCSA-N -1 3 378.416 3.195 20 0 GGADHM CCSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000595351876 567558138 /nfs/dbraw/zinc/55/81/38/567558138.db2.gz XMFYCCSYEFGULY-GFCCVEGCSA-N -1 3 393.958 3.318 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000621116730 567560599 /nfs/dbraw/zinc/56/05/99/567560599.db2.gz YJGFPXSWQNVZEH-SECBINFHSA-N -1 3 398.275 3.213 20 0 GGADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000621116730 567560606 /nfs/dbraw/zinc/56/06/06/567560606.db2.gz YJGFPXSWQNVZEH-SECBINFHSA-N -1 3 398.275 3.213 20 0 GGADHM COC(=O)c1cccc2nc(NC(=O)c3cscc3Br)[n-]c21 ZINC000552114411 567560928 /nfs/dbraw/zinc/56/09/28/567560928.db2.gz JAVVSUXCPYZGFA-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cscc3Br)nc21 ZINC000552114411 567560930 /nfs/dbraw/zinc/56/09/30/567560930.db2.gz JAVVSUXCPYZGFA-UHFFFAOYSA-N -1 3 380.223 3.426 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H]1c1ccccc1 ZINC000505126477 567561053 /nfs/dbraw/zinc/56/10/53/567561053.db2.gz YWRWHQLKHYRRES-CYBMUJFWSA-N -1 3 384.910 3.044 20 0 GGADHM CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000505136995 567561357 /nfs/dbraw/zinc/56/13/57/567561357.db2.gz VSBGGMVBBNNZTB-UHFFFAOYSA-N -1 3 393.317 3.386 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc2c(cc1Cl)CCC2 ZINC000530020356 567561926 /nfs/dbraw/zinc/56/19/26/567561926.db2.gz WWRGBUYITRNQAL-SNVBAGLBSA-N -1 3 384.910 3.196 20 0 GGADHM CCSc1ccc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000505148389 567562891 /nfs/dbraw/zinc/56/28/91/567562891.db2.gz IAQDUJZPKMFBTJ-LBPRGKRZSA-N -1 3 384.548 3.016 20 0 GGADHM CCSc1ccc([C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000505148836 567563270 /nfs/dbraw/zinc/56/32/70/567563270.db2.gz MYZXXNLQWMNYIY-OLZOCXBDSA-N -1 3 398.575 3.404 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C[C@H](C)O1 ZINC000571472980 567564719 /nfs/dbraw/zinc/56/47/19/567564719.db2.gz YVHLLWOUBQGUGE-ILWJIGKKSA-N -1 3 382.707 3.337 20 0 GGADHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000479910582 567567224 /nfs/dbraw/zinc/56/72/24/567567224.db2.gz CUUXHMLTAHLOJU-SUMWQHHRSA-N -1 3 385.917 3.247 20 0 GGADHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000479910579 567567453 /nfs/dbraw/zinc/56/74/53/567567453.db2.gz CUUXHMLTAHLOJU-DYVFJYSZSA-N -1 3 385.917 3.247 20 0 GGADHM CN1Cc2cccc([N-]S(=O)(=O)Cc3ccccc3Br)c2C1 ZINC000644636684 567567472 /nfs/dbraw/zinc/56/74/72/567567472.db2.gz QMRXVCFPWISJAA-UHFFFAOYSA-N -1 3 381.295 3.336 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2ccn(C(C)C)n2)c(F)cc1Br ZINC000571505698 567568158 /nfs/dbraw/zinc/56/81/58/567568158.db2.gz TXLUHDCYCDAIAY-UHFFFAOYSA-N -1 3 390.278 3.153 20 0 GGADHM Cc1cc(=O)[n-]c(C(C)(C)NCC[S@](=O)c2cc(Cl)ccc2Cl)n1 ZINC000595518647 567568784 /nfs/dbraw/zinc/56/87/84/567568784.db2.gz IYRATMZOESSFHW-DEOSSOPVSA-N -1 3 388.320 3.430 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC(C2CC2)(C2CC2)C1 ZINC000664471059 567570600 /nfs/dbraw/zinc/57/06/00/567570600.db2.gz LRUOJORYBDCWKB-UHFFFAOYSA-N -1 3 395.297 3.255 20 0 GGADHM O=S(=O)([N-][C@H](Cc1nnc[nH]1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000439193344 567570765 /nfs/dbraw/zinc/57/07/65/567570765.db2.gz RKANCEZEMONOPH-CQSZACIVSA-N -1 3 397.287 3.374 20 0 GGADHM O=S(=O)([N-][C@H](Cc1nnc[nH]1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000439191604 567570892 /nfs/dbraw/zinc/57/08/92/567570892.db2.gz RGSPEJGJICTTPW-CYBMUJFWSA-N -1 3 397.287 3.374 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)CCCc2cc(C)sc2C)ccc1F ZINC000552260133 567571250 /nfs/dbraw/zinc/57/12/50/567571250.db2.gz MYYIGSKDRIDRLK-UHFFFAOYSA-N -1 3 384.498 3.374 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1cncs1 ZINC000439204660 567571817 /nfs/dbraw/zinc/57/18/17/567571817.db2.gz RGINXLXPWBBZMQ-LURJTMIESA-N -1 3 383.239 3.223 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000552258919 567571760 /nfs/dbraw/zinc/57/17/60/567571760.db2.gz FOHCIGZRIAYPPZ-UWVGGRQHSA-N -1 3 382.379 3.041 20 0 GGADHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1cc(C(F)(F)F)ccc1F ZINC000439201692 567572196 /nfs/dbraw/zinc/57/21/96/567572196.db2.gz LALDIHQLNDQVEX-AWEZNQCLSA-N -1 3 385.379 3.056 20 0 GGADHM C[C@H](c1ccccc1Br)N(C)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000621278002 567572864 /nfs/dbraw/zinc/57/28/64/567572864.db2.gz WGWGIDSWTNZKAY-SNVBAGLBSA-N -1 3 376.258 3.024 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1Cl ZINC000530135856 567573294 /nfs/dbraw/zinc/57/32/94/567573294.db2.gz ZLIGULOSDJSJHR-UHFFFAOYSA-N -1 3 376.865 3.285 20 0 GGADHM Cc1cc(C[C@@H](C)NC(=O)c2c([O-])cnc3c(Br)cccc32)n[nH]1 ZINC000571575339 567573355 /nfs/dbraw/zinc/57/33/55/567573355.db2.gz BKHFOPGVJNYJQR-SECBINFHSA-N -1 3 389.253 3.095 20 0 GGADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3)c1 ZINC000530144083 567573841 /nfs/dbraw/zinc/57/38/41/567573841.db2.gz BZASIXILJZOXOQ-UHFFFAOYSA-N -1 3 399.921 3.423 20 0 GGADHM CCC[C@@H](C)CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552301175 567574804 /nfs/dbraw/zinc/57/48/04/567574804.db2.gz PWNAJBJXFNAHNM-LLVKDONJSA-N -1 3 381.325 3.214 20 0 GGADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)s1 ZINC000439240109 567574922 /nfs/dbraw/zinc/57/49/22/567574922.db2.gz VSDNFNFPITZURK-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)s1 ZINC000439234309 567574926 /nfs/dbraw/zinc/57/49/26/567574926.db2.gz HPRMSNZQKGOHSZ-UHFFFAOYSA-N -1 3 379.276 3.140 20 0 GGADHM O=C(CCc1ccncc1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439242626 567574948 /nfs/dbraw/zinc/57/49/48/567574948.db2.gz BSAVXOJIOVAVFA-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(C)o1 ZINC000480019320 567576133 /nfs/dbraw/zinc/57/61/33/567576133.db2.gz LSIPYIJSRIETBK-SNVBAGLBSA-N -1 3 394.312 3.468 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1sccc1Br)c1ccc(C)o1 ZINC000480071460 567578728 /nfs/dbraw/zinc/57/87/28/567578728.db2.gz NMRIJHOPYWYLRN-NSHDSACASA-N -1 3 394.312 3.468 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C(F)(F)F ZINC000664619421 567579269 /nfs/dbraw/zinc/57/92/69/567579269.db2.gz PUWLWCHERHPRAZ-YFKPBYRVSA-N -1 3 378.656 3.244 20 0 GGADHM Cc1cnn(C[C@H](NCc2csc3c2cccc3Br)C(=O)[O-])c1 ZINC000571701548 567582501 /nfs/dbraw/zinc/58/25/01/567582501.db2.gz PAKVHAFWYMFOHM-AWEZNQCLSA-N -1 3 394.294 3.412 20 0 GGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000505635755 567588497 /nfs/dbraw/zinc/58/84/97/567588497.db2.gz OLJJTTBCFCNIPZ-NEPJUHHUSA-N -1 3 378.947 3.011 20 0 GGADHM CCSCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000571821073 567591270 /nfs/dbraw/zinc/59/12/70/567591270.db2.gz LZPWMWDYPCRBBR-UHFFFAOYSA-N -1 3 386.308 3.018 20 0 GGADHM CCc1csc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000552483867 567592540 /nfs/dbraw/zinc/59/25/40/567592540.db2.gz QXTWHCIYOGLZSU-UHFFFAOYSA-N -1 3 385.536 3.194 20 0 GGADHM C[C@@H]1C[C@]1(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000505744176 567594318 /nfs/dbraw/zinc/59/43/18/567594318.db2.gz OUMQNKNJBQSGCF-KZULUSFZSA-N -1 3 378.881 3.377 20 0 GGADHM O=C(c1cc(Br)c2ccccc2c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000644957772 567594408 /nfs/dbraw/zinc/59/44/08/567594408.db2.gz ZUSFEOFQCREYBG-UHFFFAOYSA-N -1 3 384.233 3.296 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000505753945 567594771 /nfs/dbraw/zinc/59/47/71/567594771.db2.gz ATIKPYWTUFPCKM-BWACUDIHSA-N -1 3 398.937 3.120 20 0 GGADHM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1C ZINC000571861768 567595106 /nfs/dbraw/zinc/59/51/06/567595106.db2.gz XDTJBIPNZCGAJF-FUHWJXTLSA-N -1 3 379.503 3.005 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(N2C(=O)CCC2=O)c1 ZINC000571866976 567595368 /nfs/dbraw/zinc/59/53/68/567595368.db2.gz VNTBDBXDERYSNM-UHFFFAOYSA-N -1 3 389.205 3.060 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ncc[nH]1 ZINC000552557912 567596840 /nfs/dbraw/zinc/59/68/40/567596840.db2.gz RIXXLPWAYQWTPX-SSDOTTSWSA-N -1 3 395.644 3.158 20 0 GGADHM C[C@@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])c1ncc[nH]1 ZINC000552557912 567596844 /nfs/dbraw/zinc/59/68/44/567596844.db2.gz RIXXLPWAYQWTPX-SSDOTTSWSA-N -1 3 395.644 3.158 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000439651052 567596955 /nfs/dbraw/zinc/59/69/55/567596955.db2.gz RGXBISBXXOXXOI-BXUZGUMPSA-N -1 3 380.432 3.084 20 0 GGADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530385388 567597577 /nfs/dbraw/zinc/59/75/77/567597577.db2.gz BNLFENFULONWQS-GFCCVEGCSA-N -1 3 378.252 3.453 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]CCc2cccc(C)n2)c(Cl)c1Cl ZINC000480390111 567599400 /nfs/dbraw/zinc/59/94/00/567599400.db2.gz QBYCJNNTZXQIPJ-UHFFFAOYSA-N -1 3 375.277 3.226 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000571945825 567600620 /nfs/dbraw/zinc/60/06/20/567600620.db2.gz QGMJMQALAWNWNZ-HTQZYQBOSA-N -1 3 394.337 3.415 20 0 GGADHM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000530432851 567600873 /nfs/dbraw/zinc/60/08/73/567600873.db2.gz BJCNYONUZHRLEP-CQSZACIVSA-N -1 3 380.897 3.030 20 0 GGADHM C[C@H]([N-]C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)C(F)(F)F ZINC000645029450 567601434 /nfs/dbraw/zinc/60/14/34/567601434.db2.gz RKGQMMKMJISKOI-BYPYZUCNSA-N -1 3 391.546 3.247 20 0 GGADHM COC1CCC(C)(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000480393113 567601667 /nfs/dbraw/zinc/60/16/67/567601667.db2.gz LPJZSBGOFKBWKI-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1Cc2ccccc2C1 ZINC000530433113 567601642 /nfs/dbraw/zinc/60/16/42/567601642.db2.gz LLHYDKIMQFVNJX-NSHDSACASA-N -1 3 399.299 3.203 20 0 GGADHM CCCC[C@H](CC)CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439762448 567601704 /nfs/dbraw/zinc/60/17/04/567601704.db2.gz BJVFHIWZCXYMDW-AWEZNQCLSA-N -1 3 387.512 3.044 20 0 GGADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000571967022 567603049 /nfs/dbraw/zinc/60/30/49/567603049.db2.gz IHYOFDXXKWUHCW-UHFFFAOYSA-N -1 3 378.841 3.072 20 0 GGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-][C@H](CO)c1cc(F)ccc1F ZINC000645076348 567603442 /nfs/dbraw/zinc/60/34/42/567603442.db2.gz BROOVZDMAVOQBE-OAHLLOKOSA-N -1 3 377.359 3.055 20 0 GGADHM COCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000571975630 567603463 /nfs/dbraw/zinc/60/34/63/567603463.db2.gz JRHSZSAVPYNTEU-UHFFFAOYSA-N -1 3 393.281 3.227 20 0 GGADHM COC1CCC(C)(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000480428087 567604888 /nfs/dbraw/zinc/60/48/88/567604888.db2.gz POXPNKOSIBBKLE-UHFFFAOYSA-N -1 3 394.306 3.462 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)c(F)c1 ZINC000530480473 567605221 /nfs/dbraw/zinc/60/52/21/567605221.db2.gz ZSHIIPFQEMADGR-LBPRGKRZSA-N -1 3 383.466 3.071 20 0 GGADHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1occc1Br ZINC000552738472 567605700 /nfs/dbraw/zinc/60/57/00/567605700.db2.gz WPVJUELSLNKFDX-UHFFFAOYSA-N -1 3 387.180 3.409 20 0 GGADHM O=S(=O)([N-][C@@H]1CCSC1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000530480561 567605708 /nfs/dbraw/zinc/60/57/08/567605708.db2.gz RBQYHDRBDBOBMS-KGLIPLIRSA-N -1 3 391.942 3.072 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(C(=O)NC3CC3)c2)sc1Cl ZINC000530491118 567607423 /nfs/dbraw/zinc/60/74/23/567607423.db2.gz RNSAABABGCVFBS-UHFFFAOYSA-N -1 3 384.910 3.081 20 0 GGADHM O=C(NCCNCc1cccc([O-])c1Cl)c1cccc(Br)c1 ZINC000645155748 567608282 /nfs/dbraw/zinc/60/82/82/567608282.db2.gz FOOCLLWDHCIYRN-UHFFFAOYSA-N -1 3 383.673 3.328 20 0 GGADHM C[C@@H]1Cc2cc(C(=O)Nc3c([O-])cccc3Cl)ccc2N1S(C)(=O)=O ZINC000552780797 567608454 /nfs/dbraw/zinc/60/84/54/567608454.db2.gz PPIDKSDHBYNZTR-SNVBAGLBSA-N -1 3 380.853 3.009 20 0 GGADHM CCOC(=O)C1([N-]S(=O)(=O)c2cc(C)c(Cl)s2)Cc2ccccc2C1 ZINC000530544398 567609647 /nfs/dbraw/zinc/60/96/47/567609647.db2.gz HMQSOIGSLROGMT-UHFFFAOYSA-N -1 3 399.921 3.089 20 0 GGADHM COc1cc(Cl)cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000506100974 567610660 /nfs/dbraw/zinc/61/06/60/567610660.db2.gz LXLXCSJVOUGTFU-UHFFFAOYSA-N -1 3 380.629 3.433 20 0 GGADHM CC1(C)C(=O)Nc2cc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)ccc21 ZINC000506112400 567610720 /nfs/dbraw/zinc/61/07/20/567610720.db2.gz KYKSOZQANLNHPN-UHFFFAOYSA-N -1 3 399.248 3.001 20 0 GGADHM C[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCc2ccccc21 ZINC000506117313 567610789 /nfs/dbraw/zinc/61/07/89/567610789.db2.gz DCAVFLDKURBYOB-KRWDZBQOSA-N -1 3 398.937 3.048 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000440017270 567611137 /nfs/dbraw/zinc/61/11/37/567611137.db2.gz YHEHZUALIJLKAN-GXFFZTMASA-N -1 3 398.472 3.042 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000440017272 567611553 /nfs/dbraw/zinc/61/15/53/567611553.db2.gz YHEHZUALIJLKAN-ZWNOBZJWSA-N -1 3 398.472 3.042 20 0 GGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000459289187 567611959 /nfs/dbraw/zinc/61/19/59/567611959.db2.gz AAVXWPRVUPEECB-DOTOQJQBSA-N -1 3 380.275 3.457 20 0 GGADHM CN1C(=O)C[C@H](C(=O)Nc2ncccc2[O-])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000480577803 567612286 /nfs/dbraw/zinc/61/22/86/567612286.db2.gz MUOJCRQFVSQIKT-BONVTDFDSA-N -1 3 380.231 3.252 20 0 GGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1cccc(Br)c1 ZINC000530591320 567612717 /nfs/dbraw/zinc/61/27/17/567612717.db2.gz MUKJZHLYQLVBCX-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1cccc(Br)c1 ZINC000530591320 567612723 /nfs/dbraw/zinc/61/27/23/567612723.db2.gz MUKJZHLYQLVBCX-UHFFFAOYSA-N -1 3 380.242 3.229 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC(=O)NC2CCCCC2)c1Cl ZINC000621820369 567613572 /nfs/dbraw/zinc/61/35/72/567613572.db2.gz VVUBAQZTJYYPDW-UHFFFAOYSA-N -1 3 393.336 3.337 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440066826 567614196 /nfs/dbraw/zinc/61/41/96/567614196.db2.gz YLCSIYQLVMBMTI-UHFFFAOYSA-N -1 3 375.158 3.232 20 0 GGADHM O=C(c1cccs1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459313666 567614962 /nfs/dbraw/zinc/61/49/62/567614962.db2.gz UUSDHPGQMGYPKX-UHFFFAOYSA-N -1 3 381.295 3.174 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000530617337 567615008 /nfs/dbraw/zinc/61/50/08/567615008.db2.gz UQJIPQPOGODCMN-HNNXBMFYSA-N -1 3 392.830 3.339 20 0 GGADHM CSc1nsc([N-]C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)n1 ZINC000440072771 567615252 /nfs/dbraw/zinc/61/52/52/567615252.db2.gz OFAOPMQJAVKIHN-UHFFFAOYSA-N -1 3 398.926 3.445 20 0 GGADHM [O-]c1cccc(CN2CCC(CCN3CCOCC3)CC2)c1Br ZINC000459331051 567615313 /nfs/dbraw/zinc/61/53/13/567615313.db2.gz UTFYWVALQPTJPW-UHFFFAOYSA-N -1 3 383.330 3.089 20 0 GGADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)Oc1ccccc1 ZINC000506227982 567616894 /nfs/dbraw/zinc/61/68/94/567616894.db2.gz RPPJQRAPTSBNKJ-NSHDSACASA-N -1 3 388.258 3.334 20 0 GGADHM O=S1(=O)CCCN1c1cccc(NCc2cccc([O-])c2Br)c1 ZINC000459353548 567616929 /nfs/dbraw/zinc/61/69/29/567616929.db2.gz ZPMDRMNEZVNAFI-UHFFFAOYSA-N -1 3 397.294 3.307 20 0 GGADHM O=S1(=O)CCCN1c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459349830 567617001 /nfs/dbraw/zinc/61/70/01/567617001.db2.gz UVKHOKZUXLYTRD-UHFFFAOYSA-N -1 3 397.294 3.307 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000530669421 567617682 /nfs/dbraw/zinc/61/76/82/567617682.db2.gz ZTHFKAMCJUVZPH-HUUCEWRRSA-N -1 3 398.326 3.136 20 0 GGADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000530669420 567618023 /nfs/dbraw/zinc/61/80/23/567618023.db2.gz ZTHFKAMCJUVZPH-GJZGRUSLSA-N -1 3 398.326 3.136 20 0 GGADHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc(F)c[n-]c1=O ZINC000621879946 567618274 /nfs/dbraw/zinc/61/82/74/567618274.db2.gz QGKZAXTVEYBLRB-UHFFFAOYSA-N -1 3 379.229 3.493 20 0 GGADHM Cc1nc([N-]C(=O)COc2cc(Cl)ccc2Cl)n(-c2ccccc2)n1 ZINC000440133498 567618495 /nfs/dbraw/zinc/61/84/95/567618495.db2.gz KTOYGKPWFGZYHT-UHFFFAOYSA-N -1 3 377.231 3.322 20 0 GGADHM Cc1c(Br)cccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480643649 567618684 /nfs/dbraw/zinc/61/86/84/567618684.db2.gz OHRMQYVSVKOPDF-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1c(Br)cccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480643649 567618693 /nfs/dbraw/zinc/61/86/93/567618693.db2.gz OHRMQYVSVKOPDF-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1c(Br)cccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480643649 567618697 /nfs/dbraw/zinc/61/86/97/567618697.db2.gz OHRMQYVSVKOPDF-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000552992529 567618811 /nfs/dbraw/zinc/61/88/11/567618811.db2.gz ZQDKHELZBHWOIQ-QFBILLFUSA-N -1 3 382.261 3.361 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000552963830 567619247 /nfs/dbraw/zinc/61/92/47/567619247.db2.gz YBCURYJRQAGQHI-CYBMUJFWSA-N -1 3 379.787 3.423 20 0 GGADHM Cc1nsc(N2CCCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459379299 567619851 /nfs/dbraw/zinc/61/98/51/567619851.db2.gz RKOCRDSUPWEJHG-UHFFFAOYSA-N -1 3 383.315 3.027 20 0 GGADHM [O-]c1cccc(CN[C@H](CN2CCOCC2)c2ccccc2)c1Br ZINC000459385190 567620143 /nfs/dbraw/zinc/62/01/43/567620143.db2.gz WLXRFRNVSAJSNL-QGZVFWFLSA-N -1 3 391.309 3.318 20 0 GGADHM CN(Cc1cc(Br)cs1)C(=O)c1c[n-]c2ccncc2c1=O ZINC000552997862 567620473 /nfs/dbraw/zinc/62/04/73/567620473.db2.gz FLIRTBWPSKFSRS-UHFFFAOYSA-N -1 3 378.251 3.019 20 0 GGADHM O=C1[C@@H](NCc2cccc([O-])c2Br)CCN1Cc1ccccc1 ZINC000459384616 567620477 /nfs/dbraw/zinc/62/04/77/567620477.db2.gz DLZROOJKCZEECK-HNNXBMFYSA-N -1 3 375.266 3.045 20 0 GGADHM COC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C)c1ccc(Br)cc1 ZINC000530717978 567620744 /nfs/dbraw/zinc/62/07/44/567620744.db2.gz IMMWGYMSUMKXBX-CYBMUJFWSA-N -1 3 392.315 3.019 20 0 GGADHM O=C(N=c1cc2ccccn2[n-]1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000552992530 567620676 /nfs/dbraw/zinc/62/06/76/567620676.db2.gz ZQDKHELZBHWOIQ-VQIMIIECSA-N -1 3 382.261 3.361 20 0 GGADHM C[C@H]1CC2(CN1C(=O)NCc1ccc([O-])c(Br)c1)CCOCC2 ZINC000645373802 567621026 /nfs/dbraw/zinc/62/10/26/567621026.db2.gz SMCFVSMFSFKZGU-LBPRGKRZSA-N -1 3 383.286 3.255 20 0 GGADHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000480692204 567621464 /nfs/dbraw/zinc/62/14/64/567621464.db2.gz HLQAKDOVIUPAGM-MRXNPFEDSA-N -1 3 375.918 3.204 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)c(F)c1 ZINC000480692164 567621643 /nfs/dbraw/zinc/62/16/43/567621643.db2.gz HGTALYZXGWDUPD-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM COC(=O)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1Cl ZINC000459400876 567621801 /nfs/dbraw/zinc/62/18/01/567621801.db2.gz CKBCXJRJISYZNG-HNNXBMFYSA-N -1 3 382.247 3.370 20 0 GGADHM CCc1cc(N2CCC[C@H](NCc3cccc([O-])c3Br)C2)ncn1 ZINC000459409167 567621819 /nfs/dbraw/zinc/62/18/19/567621819.db2.gz XUZDLVGOUUYJSL-HNNXBMFYSA-N -1 3 391.313 3.266 20 0 GGADHM [O-]c1cccc(CNCCCc2nnc3n2CCCCC3)c1Br ZINC000459410578 567622492 /nfs/dbraw/zinc/62/24/92/567622492.db2.gz SLHUOOGUZRYSND-UHFFFAOYSA-N -1 3 379.302 3.195 20 0 GGADHM C[C@@](O)(C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC1 ZINC000553060081 567623174 /nfs/dbraw/zinc/62/31/74/567623174.db2.gz XFRNJFKFPSOCCH-HNNXBMFYSA-N -1 3 384.661 3.014 20 0 GGADHM CC(C)OCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645427235 567623433 /nfs/dbraw/zinc/62/34/33/567623433.db2.gz NPYWUPGZJYRNPM-UHFFFAOYSA-N -1 3 375.796 3.332 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1cc(Br)ccc1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000530777713 567623593 /nfs/dbraw/zinc/62/35/93/567623593.db2.gz OWCYBTCKECJYTP-HSMVNMDESA-N -1 3 385.302 3.227 20 0 GGADHM CCc1cc(N2CCC(NCc3cccc([O-])c3Br)CC2)ncn1 ZINC000459419991 567624030 /nfs/dbraw/zinc/62/40/30/567624030.db2.gz FQCLHYHDYDJNRS-UHFFFAOYSA-N -1 3 391.313 3.266 20 0 GGADHM O=C(NCCc1c[nH]c2ncccc12)NCc1ccc([O-])c(Br)c1 ZINC000506375221 567624391 /nfs/dbraw/zinc/62/43/91/567624391.db2.gz MNKSQLLQTUEFQN-UHFFFAOYSA-N -1 3 389.253 3.073 20 0 GGADHM O=C(c1ccc(Br)c([O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000480732818 567624614 /nfs/dbraw/zinc/62/46/14/567624614.db2.gz BNFQDSFPFFNRGA-UHFFFAOYSA-N -1 3 381.314 3.493 20 0 GGADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccs1 ZINC000480729190 567624782 /nfs/dbraw/zinc/62/47/82/567624782.db2.gz RRLGCXUITRRWAN-JOYOIKCWSA-N -1 3 376.272 3.484 20 0 GGADHM CN(Cc1nccs1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000530827187 567624890 /nfs/dbraw/zinc/62/48/90/567624890.db2.gz IYPGSUPUXNKIRI-UHFFFAOYSA-N -1 3 378.251 3.019 20 0 GGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000480725051 567624861 /nfs/dbraw/zinc/62/48/61/567624861.db2.gz WUTURGORBXUCGG-JTQLQIEISA-N -1 3 385.379 3.243 20 0 GGADHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000480724223 567625039 /nfs/dbraw/zinc/62/50/39/567625039.db2.gz BDCGKFPKGFGOFC-QMMMGPOBSA-N -1 3 389.768 3.173 20 0 GGADHM COc1cc(NCCNCc2cccc([O-])c2Br)cc(OC)c1 ZINC000459446701 567625317 /nfs/dbraw/zinc/62/53/17/567625317.db2.gz JBLQNMNTDGBGDA-UHFFFAOYSA-N -1 3 381.270 3.374 20 0 GGADHM O=S(=O)([N-]CCCOC[C@H]1CCOC1)c1c(Cl)ccc2ccccc21 ZINC000440397405 567625641 /nfs/dbraw/zinc/62/56/41/567625641.db2.gz HZEWUSPAKOWBKF-CQSZACIVSA-N -1 3 383.897 3.215 20 0 GGADHM O=C1CCCCN1CCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440384490 567625915 /nfs/dbraw/zinc/62/59/15/567625915.db2.gz WTOVSIBAMGXABB-UHFFFAOYSA-N -1 3 380.897 3.174 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000480745613 567625958 /nfs/dbraw/zinc/62/59/58/567625958.db2.gz CPEPWXVJHMJDAI-JSGCOSHPSA-N -1 3 383.466 3.288 20 0 GGADHM CC[C@H](CS(=O)(=O)c1ccccc1)NCc1cccc([O-])c1Br ZINC000459457659 567626055 /nfs/dbraw/zinc/62/60/55/567626055.db2.gz XUBBJVPDYIHSLS-CQSZACIVSA-N -1 3 398.322 3.497 20 0 GGADHM CN(C)[C@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)cc1 ZINC000530837840 567626291 /nfs/dbraw/zinc/62/62/91/567626291.db2.gz ALFCLKYBQUEQCY-CYBMUJFWSA-N -1 3 381.933 3.335 20 0 GGADHM O=C(c1cc(F)c[n-]c1=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000621958470 567626503 /nfs/dbraw/zinc/62/65/03/567626503.db2.gz KBPYYJJSFXQLNS-CQSZACIVSA-N -1 3 399.191 3.042 20 0 GGADHM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cccc([O-])c1Br ZINC000459474465 567627315 /nfs/dbraw/zinc/62/73/15/567627315.db2.gz FAWJJZYBCWAYLX-QGZVFWFLSA-N -1 3 375.266 3.136 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)sc1Br ZINC000480749061 567627455 /nfs/dbraw/zinc/62/74/55/567627455.db2.gz IYDYOWPDTSGBKX-JTQLQIEISA-N -1 3 398.344 3.218 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)N1CCCCC1 ZINC000480748595 567627551 /nfs/dbraw/zinc/62/75/51/567627551.db2.gz XPNDINOMVHXNPY-CYBMUJFWSA-N -1 3 380.897 3.173 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)c(Cl)c1Cl ZINC000480748754 567627669 /nfs/dbraw/zinc/62/76/69/567627669.db2.gz MAIUUTSBSKGILZ-JTQLQIEISA-N -1 3 398.308 3.401 20 0 GGADHM [O-]c1cccc(CN2CCC(CCCN3CCOCC3)CC2)c1Br ZINC000459460666 567627730 /nfs/dbraw/zinc/62/77/30/567627730.db2.gz IWPOSRCWOGVXQZ-UHFFFAOYSA-N -1 3 397.357 3.479 20 0 GGADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC)c1ccsc1 ZINC000645469216 567627784 /nfs/dbraw/zinc/62/77/84/567627784.db2.gz MQASKGWBDYOZRB-OAHLLOKOSA-N -1 3 386.514 3.257 20 0 GGADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000480757941 567628963 /nfs/dbraw/zinc/62/89/63/567628963.db2.gz RIUKCQJYHJUBEE-ZDUSSCGKSA-N -1 3 382.507 3.209 20 0 GGADHM Cc1cc(N2CCC(NCc3cccc([O-])c3Br)CC2)nc(C)n1 ZINC000459480822 567629555 /nfs/dbraw/zinc/62/95/55/567629555.db2.gz PMOVWFCVHPDXME-UHFFFAOYSA-N -1 3 391.313 3.320 20 0 GGADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)o1 ZINC000480770483 567629809 /nfs/dbraw/zinc/62/98/09/567629809.db2.gz KYABUIRIBQNVFE-UHFFFAOYSA-N -1 3 379.821 3.351 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(Br)ccc1OC ZINC000506539422 567630094 /nfs/dbraw/zinc/63/00/94/567630094.db2.gz PZTQNBZMHDWSPB-UHFFFAOYSA-N -1 3 399.266 3.341 20 0 GGADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1ccccc1 ZINC000480785494 567630703 /nfs/dbraw/zinc/63/07/03/567630703.db2.gz IEBIREUNMLPPRH-UGSOOPFHSA-N -1 3 385.888 3.387 20 0 GGADHM COC(=O)C[C@@](C)(NCc1cccc([O-])c1Br)c1ccncc1 ZINC000459496079 567630793 /nfs/dbraw/zinc/63/07/93/567630793.db2.gz GHWVUEJCQXFCLZ-QGZVFWFLSA-N -1 3 379.254 3.118 20 0 GGADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506580761 567631168 /nfs/dbraw/zinc/63/11/68/567631168.db2.gz URQMUHRSRUKYDG-UHFFFAOYSA-N -1 3 378.881 3.451 20 0 GGADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccc1 ZINC000480783196 567631395 /nfs/dbraw/zinc/63/13/95/567631395.db2.gz BONABUWAZNZURV-SCLBCKFNSA-N -1 3 385.888 3.387 20 0 GGADHM CCc1[nH]c(C(=O)Nc2cc(Br)ccc2[O-])c(C)c1C(=O)OC ZINC000530916784 567631502 /nfs/dbraw/zinc/63/15/02/567631502.db2.gz NUFPOOALWUAGKL-UHFFFAOYSA-N -1 3 381.226 3.393 20 0 GGADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000480782839 567631483 /nfs/dbraw/zinc/63/14/83/567631483.db2.gz YLNXZBZTKAYIOO-ACJLOTCBSA-N -1 3 385.888 3.387 20 0 GGADHM CN(C)c1n[nH]c([N-]C(=O)c2csc(-c3ccc(Br)s3)n2)n1 ZINC000553173065 567632037 /nfs/dbraw/zinc/63/20/37/567632037.db2.gz UXRVWFWKCAMFII-UHFFFAOYSA-N -1 3 399.299 3.071 20 0 GGADHM CCc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)ccc1[O-] ZINC000553161732 567632083 /nfs/dbraw/zinc/63/20/83/567632083.db2.gz GBSWRAVIFZIOOB-UHFFFAOYSA-N -1 3 391.265 3.394 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)no1 ZINC000645489986 567632305 /nfs/dbraw/zinc/63/23/05/567632305.db2.gz QDKUGSKWSGFKJT-UHFFFAOYSA-N -1 3 379.663 3.019 20 0 GGADHM O=C(c1ccc(NCc2cccc([O-])c2Br)cc1)N1CCOCC1 ZINC000459509977 567632638 /nfs/dbraw/zinc/63/26/38/567632638.db2.gz LFZUVUYESATQTE-UHFFFAOYSA-N -1 3 391.265 3.239 20 0 GGADHM Cc1noc(C)c1C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645491084 567632733 /nfs/dbraw/zinc/63/27/33/567632733.db2.gz WXLYXPNNOWXNEX-UHFFFAOYSA-N -1 3 393.690 3.327 20 0 GGADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n1 ZINC000622042077 567633326 /nfs/dbraw/zinc/63/33/26/567633326.db2.gz QLZJONGLHHKCGH-SECBINFHSA-N -1 3 395.790 3.377 20 0 GGADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)n1 ZINC000622041524 567633419 /nfs/dbraw/zinc/63/34/19/567633419.db2.gz CKHLFLJWOGBCFV-JTQLQIEISA-N -1 3 388.262 3.035 20 0 GGADHM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000553173505 567633410 /nfs/dbraw/zinc/63/34/10/567633410.db2.gz NRDDNHFDASWFDU-GDBMZVCRSA-N -1 3 378.519 3.026 20 0 GGADHM COC(=O)COc1ccc(CN(C)Cc2cccc([O-])c2Br)cc1 ZINC000459538017 567633961 /nfs/dbraw/zinc/63/39/61/567633961.db2.gz RWHQRMMZULLKNO-UHFFFAOYSA-N -1 3 394.265 3.339 20 0 GGADHM O=c1cc(CSc2nc3cc(Br)cnc3[nH]2)nc(C2CC2)[n-]1 ZINC000665685440 567634055 /nfs/dbraw/zinc/63/40/55/567634055.db2.gz CLKDJEUZSIVFBH-UHFFFAOYSA-N -1 3 378.255 3.386 20 0 GGADHM CC(=O)c1sc2[n-]c(CSCCC(=O)OC(C)(C)C)nc(=O)c2c1C ZINC000440592045 567634048 /nfs/dbraw/zinc/63/40/48/567634048.db2.gz DRTGQEAQKVTRIL-UHFFFAOYSA-N -1 3 382.507 3.461 20 0 GGADHM O=S(=O)([N-]C1CCSCC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645506799 567635214 /nfs/dbraw/zinc/63/52/14/567635214.db2.gz BCFDSJWAAYNZPW-UHFFFAOYSA-N -1 3 375.821 3.413 20 0 GGADHM CNC(=O)c1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)ccc1Cl ZINC000506639975 567635873 /nfs/dbraw/zinc/63/58/73/567635873.db2.gz RDJUTSGAJQJTAU-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM O=S(=O)([N-]CCNc1ncnc2sc3ccccc3c21)c1cccs1 ZINC000440637845 567635877 /nfs/dbraw/zinc/63/58/77/567635877.db2.gz MTXBNCHXUCLJJQ-UHFFFAOYSA-N -1 3 390.515 3.296 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cn1 ZINC000506632358 567635878 /nfs/dbraw/zinc/63/58/78/567635878.db2.gz MQLVXTQDBZTCQQ-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM C[C@H](Sc1ccc2c(c1)CCO2)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000665687763 567636191 /nfs/dbraw/zinc/63/61/91/567636191.db2.gz FRMKKXBDYARXEQ-LBPRGKRZSA-N -1 3 377.487 3.357 20 0 GGADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645521474 567637046 /nfs/dbraw/zinc/63/70/46/567637046.db2.gz GSLQZNBQSRUYSJ-UHFFFAOYSA-N -1 3 398.790 3.364 20 0 GGADHM Cc1nc(-c2ccc([N-]S(=O)(=O)CCc3cccc(Cl)c3)cc2)n[nH]1 ZINC000506655611 567637482 /nfs/dbraw/zinc/63/74/82/567637482.db2.gz ULWZRSYUSYOMGD-UHFFFAOYSA-N -1 3 376.869 3.418 20 0 GGADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(=O)[n-]c(C3CC3)n1)CC2 ZINC000572421706 567637906 /nfs/dbraw/zinc/63/79/06/567637906.db2.gz HILQIHAQIIIVSM-UHFFFAOYSA-N -1 3 388.265 3.329 20 0 GGADHM CN(C[C@@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000572413786 567638037 /nfs/dbraw/zinc/63/80/37/567638037.db2.gz URNWDSCBSMGREW-PBHICJAKSA-N -1 3 392.249 3.347 20 0 GGADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000553238753 567638238 /nfs/dbraw/zinc/63/82/38/567638238.db2.gz IKOYSHYHPBEYES-JOYOIKCWSA-N -1 3 382.707 3.196 20 0 GGADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1 ZINC000506674481 567638657 /nfs/dbraw/zinc/63/86/57/567638657.db2.gz HPARBBYEHDNHLS-UHFFFAOYSA-N -1 3 383.853 3.255 20 0 GGADHM CN(C[C@@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000572413787 567638664 /nfs/dbraw/zinc/63/86/64/567638664.db2.gz URNWDSCBSMGREW-RHSMWYFYSA-N -1 3 392.249 3.347 20 0 GGADHM [O-]c1cccc(CNCc2cccc(N3CCOCC3)c2)c1Br ZINC000459586391 567639673 /nfs/dbraw/zinc/63/96/73/567639673.db2.gz JMAAKBNHEVQBOL-UHFFFAOYSA-N -1 3 377.282 3.281 20 0 GGADHM Cc1cc(I)cnc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000440675083 567639618 /nfs/dbraw/zinc/63/96/18/567639618.db2.gz PJUUJTUQBRXYNU-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM Cc1cc(I)cnc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000440675083 567639623 /nfs/dbraw/zinc/63/96/23/567639623.db2.gz PJUUJTUQBRXYNU-UHFFFAOYSA-N -1 3 394.172 3.230 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645563401 567640860 /nfs/dbraw/zinc/64/08/60/567640860.db2.gz AVWJMZKXHKMNSK-ONGXEEELSA-N -1 3 387.807 3.068 20 0 GGADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H]2CCO[C@H]21 ZINC000645561475 567640913 /nfs/dbraw/zinc/64/09/13/567640913.db2.gz RAPIHKVZGUWVLH-ZWKOPEQDSA-N -1 3 399.818 3.330 20 0 GGADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000506732290 567641102 /nfs/dbraw/zinc/64/11/02/567641102.db2.gz WCIDVANGNRPDFQ-UHFFFAOYSA-N -1 3 387.288 3.337 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645563400 567641334 /nfs/dbraw/zinc/64/13/34/567641334.db2.gz AVWJMZKXHKMNSK-MWLCHTKSSA-N -1 3 387.807 3.068 20 0 GGADHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645558312 567641485 /nfs/dbraw/zinc/64/14/85/567641485.db2.gz QOAKDIOJUFLPQR-GFCCVEGCSA-N -1 3 375.796 3.068 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CC[C@H]2c2ccc(Br)cc2)c(=O)[n-]1 ZINC000622180346 567642220 /nfs/dbraw/zinc/64/22/20/567642220.db2.gz HBMVWHLDQNOEFT-INIZCTEOSA-N -1 3 390.281 3.468 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3Cc4ccccc4O3)s2)cs1 ZINC000480923211 567642613 /nfs/dbraw/zinc/64/26/13/567642613.db2.gz CVDNIVZSTDURGN-CYBMUJFWSA-N -1 3 392.527 3.462 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccc(F)c(Br)c1 ZINC000440744807 567642642 /nfs/dbraw/zinc/64/26/42/567642642.db2.gz DXQNFIODTZFGIQ-UHFFFAOYSA-N -1 3 378.157 3.116 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@@H](c1ccccc1)N(C)C ZINC000480926848 567642738 /nfs/dbraw/zinc/64/27/38/567642738.db2.gz JMGYUOOBSDABEE-ABAIWWIYSA-N -1 3 387.299 3.012 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@@H](c1ccccc1)N(C)C ZINC000480926850 567643026 /nfs/dbraw/zinc/64/30/26/567643026.db2.gz JMGYUOOBSDABEE-NHYWBVRUSA-N -1 3 387.299 3.012 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Br)C(=O)N=c1cc2ccccn2[n-]1 ZINC000553316114 567643245 /nfs/dbraw/zinc/64/32/45/567643245.db2.gz GIAFNMMENWJIBO-JTQLQIEISA-N -1 3 378.201 3.064 20 0 GGADHM O=S(=O)([N-][C@H]1CCCSC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645582137 567643627 /nfs/dbraw/zinc/64/36/27/567643627.db2.gz OVJBXYXQSKAFNK-VIFPVBQESA-N -1 3 375.821 3.413 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000645575494 567644035 /nfs/dbraw/zinc/64/40/35/567644035.db2.gz OJRDJBCPCVHPCD-OAHLLOKOSA-N -1 3 386.876 3.069 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(OC)CCC(C)CC1 ZINC000480946432 567644264 /nfs/dbraw/zinc/64/42/64/567644264.db2.gz BLMDODYBMXQYOS-UHFFFAOYSA-N -1 3 389.901 3.000 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000645593580 567644258 /nfs/dbraw/zinc/64/42/58/567644258.db2.gz ZYVYIXIGIDIGTJ-FZMZJTMJSA-N -1 3 387.889 3.041 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000645575493 567644294 /nfs/dbraw/zinc/64/42/94/567644294.db2.gz OJRDJBCPCVHPCD-HNNXBMFYSA-N -1 3 386.876 3.069 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3COc4ccccc4C3)s2)cs1 ZINC000480936741 567644454 /nfs/dbraw/zinc/64/44/54/567644454.db2.gz OLTNPTMOTRAABZ-ZDUSSCGKSA-N -1 3 392.527 3.462 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000645593594 567644445 /nfs/dbraw/zinc/64/44/45/567644445.db2.gz ZYVYIXIGIDIGTJ-RISCZKNCSA-N -1 3 387.889 3.041 20 0 GGADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000506818687 567644834 /nfs/dbraw/zinc/64/48/34/567644834.db2.gz XNHYJMOMKDLDMD-UHFFFAOYSA-N -1 3 376.869 3.214 20 0 GGADHM Cc1nc(C)c(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)o1 ZINC000531189573 567645271 /nfs/dbraw/zinc/64/52/71/567645271.db2.gz SRHUKUKHJPSDSB-UHFFFAOYSA-N -1 3 379.189 3.257 20 0 GGADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)OC ZINC000480948981 567645318 /nfs/dbraw/zinc/64/53/18/567645318.db2.gz GUHKEXNMWPHQOB-LKFCYVNXSA-N -1 3 388.536 3.046 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CCOCC1 ZINC000645603227 567645493 /nfs/dbraw/zinc/64/54/93/567645493.db2.gz HCDRAQDYKJCLOW-SECBINFHSA-N -1 3 387.807 3.332 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c(F)c1 ZINC000480951730 567645666 /nfs/dbraw/zinc/64/56/66/567645666.db2.gz OABMIVQXYBVKOD-UHFFFAOYSA-N -1 3 377.359 3.494 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)ccn1 ZINC000506850184 567646025 /nfs/dbraw/zinc/64/60/25/567646025.db2.gz XEMGDGCCTQAOIR-UHFFFAOYSA-N -1 3 379.638 3.168 20 0 GGADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cncc(Br)c1 ZINC000506831202 567646225 /nfs/dbraw/zinc/64/62/25/567646225.db2.gz AQJBBXYRVZTDKS-UHFFFAOYSA-N -1 3 375.675 3.482 20 0 GGADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1OC(F)(F)F ZINC000645610135 567646489 /nfs/dbraw/zinc/64/64/89/567646489.db2.gz PZOPBMRJNVFSFH-JTQLQIEISA-N -1 3 395.790 3.318 20 0 GGADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)s1 ZINC000531194983 567646747 /nfs/dbraw/zinc/64/67/47/567646747.db2.gz JDFDPTDNGNOWJY-OLZOCXBDSA-N -1 3 387.324 3.357 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1OC(F)(F)F ZINC000645606336 567647057 /nfs/dbraw/zinc/64/70/57/567647057.db2.gz RFDPNSKTORPUKY-IJLUTSLNSA-N -1 3 399.818 3.475 20 0 GGADHM CO[C@H](CS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)c1ccccn1)C(C)C ZINC000645606560 567647417 /nfs/dbraw/zinc/64/74/17/567647417.db2.gz UDTZPUQEGJZWTA-MSOLQXFVSA-N -1 3 382.913 3.415 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)c1ccccn1)C(C)C ZINC000645606563 567647510 /nfs/dbraw/zinc/64/75/10/567647510.db2.gz UDTZPUQEGJZWTA-ZWKOTPCHSA-N -1 3 382.913 3.415 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1c(Cl)ccc2ccccc21 ZINC000531241510 567647670 /nfs/dbraw/zinc/64/76/70/567647670.db2.gz OEXANBZTDDOIEB-LBPRGKRZSA-N -1 3 392.830 3.408 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c(F)c1 ZINC000480979406 567647886 /nfs/dbraw/zinc/64/78/86/567647886.db2.gz LNFUOFDVPXTOOY-UHFFFAOYSA-N -1 3 379.331 3.053 20 0 GGADHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645630203 567648658 /nfs/dbraw/zinc/64/86/58/567648658.db2.gz SHHRVFJCDMSXTI-JGZJWPJOSA-N -1 3 387.807 3.068 20 0 GGADHM CCc1ccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c([O-])c1 ZINC000622439185 567648710 /nfs/dbraw/zinc/64/87/10/567648710.db2.gz AAQAXWGZKHXTEG-LBPRGKRZSA-N -1 3 384.259 3.431 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480985963 567648881 /nfs/dbraw/zinc/64/88/81/567648881.db2.gz FZUPJFIYZZYNOP-UHFFFAOYSA-N -1 3 392.179 3.470 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480985963 567648884 /nfs/dbraw/zinc/64/88/84/567648884.db2.gz FZUPJFIYZZYNOP-UHFFFAOYSA-N -1 3 392.179 3.470 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480985963 567648887 /nfs/dbraw/zinc/64/88/87/567648887.db2.gz FZUPJFIYZZYNOP-UHFFFAOYSA-N -1 3 392.179 3.470 20 0 GGADHM C[C@@H](NCc1ncccc1[O-])c1ccc(Br)cc1OCCCO ZINC000572571916 567649139 /nfs/dbraw/zinc/64/91/39/567649139.db2.gz BIFSPYDBECRFHG-GFCCVEGCSA-N -1 3 381.270 3.162 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2ccc(F)cc21)c1cncc(Br)c1 ZINC000480985308 567649242 /nfs/dbraw/zinc/64/92/42/567649242.db2.gz VSLCUHRBMHUROS-OAHLLOKOSA-N -1 3 385.258 3.339 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)c(C)cn1 ZINC000572557635 567649343 /nfs/dbraw/zinc/64/93/43/567649343.db2.gz ARVNOLZJCRADHO-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000531254181 567649568 /nfs/dbraw/zinc/64/95/68/567649568.db2.gz UKUVCFDUKUEJKG-LLVKDONJSA-N -1 3 375.222 3.146 20 0 GGADHM C[C@@H]1C(=O)Nc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc2N1C ZINC000531253852 567649845 /nfs/dbraw/zinc/64/98/45/567649845.db2.gz LXJNEETXXLNUEP-SECBINFHSA-N -1 3 390.237 3.184 20 0 GGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCOCC1 ZINC000645633583 567649912 /nfs/dbraw/zinc/64/99/12/567649912.db2.gz QUENHKPGFOZFFL-UHFFFAOYSA-N -1 3 387.807 3.476 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000531254074 567650066 /nfs/dbraw/zinc/65/00/66/567650066.db2.gz ASXGEVDYNBJCEB-LLVKDONJSA-N -1 3 381.270 3.274 20 0 GGADHM C[C@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@H](C)O1 ZINC000645635558 567650019 /nfs/dbraw/zinc/65/00/19/567650019.db2.gz XIRHDMQQGLJZSJ-IUCAKERBSA-N -1 3 387.807 3.473 20 0 GGADHM CN1CCC(=O)Nc2cc(C(=O)Nc3ccc(Br)cc3[O-])ccc21 ZINC000531288492 567650713 /nfs/dbraw/zinc/65/07/13/567650713.db2.gz RCMPIRNKVYXVMZ-UHFFFAOYSA-N -1 3 390.237 3.185 20 0 GGADHM COCC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ccc(C)o1 ZINC000645643376 567651005 /nfs/dbraw/zinc/65/10/05/567651005.db2.gz RKYZYHGOFCXQSY-LBPRGKRZSA-N -1 3 378.372 3.058 20 0 GGADHM O=C(C[C@@H]1CCCCO1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000531276774 567651201 /nfs/dbraw/zinc/65/12/01/567651201.db2.gz YYTONXSOMAKDEM-ZDUSSCGKSA-N -1 3 382.233 3.298 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@H]1CCCOC1 ZINC000645645004 567651349 /nfs/dbraw/zinc/65/13/49/567651349.db2.gz RTKLFEYJZVPZBF-ZJUUUORDSA-N -1 3 387.807 3.332 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]Cc2csc(Br)c2)c(F)c1 ZINC000481024721 567653141 /nfs/dbraw/zinc/65/31/41/567653141.db2.gz LSDJKPSJNQVVQK-UHFFFAOYSA-N -1 3 380.260 3.137 20 0 GGADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2cccc(Br)c2)s1 ZINC000553427786 567653829 /nfs/dbraw/zinc/65/38/29/567653829.db2.gz FNSGYJQCPSHYCM-UHFFFAOYSA-N -1 3 390.328 3.044 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000481045491 567654028 /nfs/dbraw/zinc/65/40/28/567654028.db2.gz XTLPCONEZZJYAG-INIZCTEOSA-N -1 3 378.450 3.359 20 0 GGADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)O1 ZINC000507016217 567654039 /nfs/dbraw/zinc/65/40/39/567654039.db2.gz WFMBCYGIUIHQOY-SXMVTHIZSA-N -1 3 383.221 3.125 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)c(F)c1 ZINC000481052663 567654331 /nfs/dbraw/zinc/65/43/31/567654331.db2.gz QMEYJNRAILFITP-JTQLQIEISA-N -1 3 375.368 3.475 20 0 GGADHM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)O1 ZINC000507016214 567654342 /nfs/dbraw/zinc/65/43/42/567654342.db2.gz WFMBCYGIUIHQOY-DNSOKLHBSA-N -1 3 383.221 3.125 20 0 GGADHM CCSCc1cccc(NC(=O)C(=O)[N-]c2sccc2C(=O)OC)c1 ZINC000441152877 567654837 /nfs/dbraw/zinc/65/48/37/567654837.db2.gz IARNZEHSDNAWPS-UHFFFAOYSA-N -1 3 378.475 3.365 20 0 GGADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507014016 567654864 /nfs/dbraw/zinc/65/48/64/567654864.db2.gz SXFXSAPJKDMZEQ-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ncccc2F)c1 ZINC000622762217 567655005 /nfs/dbraw/zinc/65/50/05/567655005.db2.gz VOKHMIJMUMNOMT-UHFFFAOYSA-N -1 3 385.848 3.157 20 0 GGADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000531367698 567655070 /nfs/dbraw/zinc/65/50/70/567655070.db2.gz KRXVQDRULFTUPS-TZMCWYRMSA-N -1 3 388.942 3.177 20 0 GGADHM Cn1ccc(S(=O)(=O)[N-]CC2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000645674525 567655321 /nfs/dbraw/zinc/65/53/21/567655321.db2.gz TXWNHYAESIDGKF-UHFFFAOYSA-N -1 3 393.818 3.102 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000645686737 567655402 /nfs/dbraw/zinc/65/54/02/567655402.db2.gz QXDNDNHWDZGPLJ-SSDOTTSWSA-N -1 3 384.376 3.349 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000645692234 567656675 /nfs/dbraw/zinc/65/66/75/567656675.db2.gz ICJUIPXBGVMNBO-GXFFZTMASA-N -1 3 375.343 3.086 20 0 GGADHM COc1ccc([C@H](CO)CNCc2ccc(OC)c([O-])c2Br)cc1 ZINC000459754229 567657492 /nfs/dbraw/zinc/65/74/92/567657492.db2.gz PRCPIODWQLIBDL-AWEZNQCLSA-N -1 3 396.281 3.038 20 0 GGADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1C(F)(F)F ZINC000481087874 567658641 /nfs/dbraw/zinc/65/86/41/567658641.db2.gz HRVABCPVRWBWCF-LLVKDONJSA-N -1 3 379.791 3.438 20 0 GGADHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645713333 567658752 /nfs/dbraw/zinc/65/87/52/567658752.db2.gz KDFQDCCPSIXRNQ-VHSXEESVSA-N -1 3 387.807 3.190 20 0 GGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)nc1)c1nc(C(F)(F)F)cs1 ZINC000553503299 567659239 /nfs/dbraw/zinc/65/92/39/567659239.db2.gz PVDXJURQKGQACK-JTQLQIEISA-N -1 3 394.444 3.053 20 0 GGADHM O=S(=O)([N-]CCOC[C@H]1CCCO1)c1cc2cc(Cl)ccc2s1 ZINC000531434302 567659616 /nfs/dbraw/zinc/65/96/16/567659616.db2.gz CYRZVLMBBYMGHW-CYBMUJFWSA-N -1 3 375.899 3.029 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(N(C)C)nc1)c1nc(C(F)(F)F)cs1 ZINC000553503300 567660333 /nfs/dbraw/zinc/66/03/33/567660333.db2.gz PVDXJURQKGQACK-SNVBAGLBSA-N -1 3 394.444 3.053 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1cc2cc(Cl)ccc2s1 ZINC000531434330 567660430 /nfs/dbraw/zinc/66/04/30/567660430.db2.gz GNBSMSOBDNMAGA-NSHDSACASA-N -1 3 398.859 3.470 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1cc2cc(Cl)ccc2s1 ZINC000531434329 567660590 /nfs/dbraw/zinc/66/05/90/567660590.db2.gz GNBSMSOBDNMAGA-LLVKDONJSA-N -1 3 398.859 3.470 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)c(Cl)c1Cl ZINC000572712296 567660688 /nfs/dbraw/zinc/66/06/88/567660688.db2.gz NFJLPQOIYWCDAV-RKDXNWHRSA-N -1 3 376.265 3.183 20 0 GGADHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645739299 567660941 /nfs/dbraw/zinc/66/09/41/567660941.db2.gz YLNCKXOXMWBMBL-HZMBPMFUSA-N -1 3 396.734 3.073 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(C)(C)O ZINC000645735063 567661064 /nfs/dbraw/zinc/66/10/64/567661064.db2.gz QCHUUGONNAKESF-LLVKDONJSA-N -1 3 375.796 3.066 20 0 GGADHM O=S(=O)([N-]CCNCc1coc2ccccc12)c1ccc(Cl)cc1F ZINC000441361798 567662066 /nfs/dbraw/zinc/66/20/66/567662066.db2.gz VFNRZKFWXSBLBD-UHFFFAOYSA-N -1 3 382.844 3.293 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000645747380 567662849 /nfs/dbraw/zinc/66/28/49/567662849.db2.gz AMWKGCJGDRLJLH-LLVKDONJSA-N -1 3 375.343 3.217 20 0 GGADHM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1cc(Cl)ccc1OC(F)(F)F ZINC000645745929 567663086 /nfs/dbraw/zinc/66/30/86/567663086.db2.gz DSPKAMVLLJVFFD-GFCCVEGCSA-N -1 3 385.791 3.086 20 0 GGADHM CCC(CC)[C@@H](C(=O)Nc1cc(Br)ccc1[O-])N1CCOCC1 ZINC000531492673 567663304 /nfs/dbraw/zinc/66/33/04/567663304.db2.gz LXOIGPZNNBEALC-INIZCTEOSA-N -1 3 385.302 3.230 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)C1 ZINC000481220182 567663434 /nfs/dbraw/zinc/66/34/34/567663434.db2.gz IYPXQSCMDPKICB-MELADBBJSA-N -1 3 375.918 3.468 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C)C1 ZINC000481220180 567663468 /nfs/dbraw/zinc/66/34/68/567663468.db2.gz IYPXQSCMDPKICB-HZSPNIEDSA-N -1 3 375.918 3.468 20 0 GGADHM Cc1ccc(CC(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)o1 ZINC000572754766 567663486 /nfs/dbraw/zinc/66/34/86/567663486.db2.gz FSOVRWDAOXMFMM-UHFFFAOYSA-N -1 3 378.201 3.483 20 0 GGADHM COC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645754198 567663923 /nfs/dbraw/zinc/66/39/23/567663923.db2.gz QRYDVHNPMINGJD-UHFFFAOYSA-N -1 3 387.807 3.475 20 0 GGADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000645751060 567664006 /nfs/dbraw/zinc/66/40/06/567664006.db2.gz NHTKJIXVEFBPLV-INIZCTEOSA-N -1 3 385.482 3.078 20 0 GGADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)nc1 ZINC000645751579 567664430 /nfs/dbraw/zinc/66/44/30/567664430.db2.gz JWVDPBPSQHJWPZ-UHFFFAOYSA-N -1 3 394.802 3.463 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000553547537 567664522 /nfs/dbraw/zinc/66/45/22/567664522.db2.gz TWYXWPZWQTWJNK-UHFFFAOYSA-N -1 3 383.342 3.240 20 0 GGADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CS1 ZINC000645756815 567664678 /nfs/dbraw/zinc/66/46/78/567664678.db2.gz DYBINWAWQSWNON-VXNVDRBHSA-N -1 3 375.821 3.411 20 0 GGADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000481241637 567664797 /nfs/dbraw/zinc/66/47/97/567664797.db2.gz LHOOPZJPTNXTHF-RBSFLKMASA-N -1 3 387.929 3.470 20 0 GGADHM CN(C)C(=O)c1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1Cl ZINC000666298038 567664753 /nfs/dbraw/zinc/66/47/53/567664753.db2.gz KPLLRDXPTULISU-WMLDXEAASA-N -1 3 378.881 3.340 20 0 GGADHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645758545 567664934 /nfs/dbraw/zinc/66/49/34/567664934.db2.gz RYICTZVKGFNUCW-SECBINFHSA-N -1 3 375.796 3.190 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)c1csnn1 ZINC000645762551 567665295 /nfs/dbraw/zinc/66/52/95/567665295.db2.gz LHQPZEMCUQGZGD-ZETCQYMHSA-N -1 3 396.719 3.135 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Br)cn1 ZINC000481251440 567665550 /nfs/dbraw/zinc/66/55/50/567665550.db2.gz MGYVLPCYLUFYQR-ZETCQYMHSA-N -1 3 395.200 3.301 20 0 GGADHM O=S(=O)([N-]CCCC1(O)CCC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645763287 567665558 /nfs/dbraw/zinc/66/55/58/567665558.db2.gz LFGLFECGXGULIT-UHFFFAOYSA-N -1 3 387.807 3.212 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1cc(Br)ccc1Cl ZINC000553566870 567666669 /nfs/dbraw/zinc/66/66/69/567666669.db2.gz JUYLUKUNFKUTKW-WDEREUQCSA-N -1 3 396.734 3.180 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCN(C(C)(C)C)C1=O ZINC000645781594 567666847 /nfs/dbraw/zinc/66/68/47/567666847.db2.gz AWYJURBVWHCHGG-CYBMUJFWSA-N -1 3 384.885 3.072 20 0 GGADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(F)cc1Br ZINC000553570218 567667050 /nfs/dbraw/zinc/66/70/50/567667050.db2.gz SJXISOBGCBOQSO-UHFFFAOYSA-N -1 3 376.169 3.207 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000481259514 567667123 /nfs/dbraw/zinc/66/71/23/567667123.db2.gz NNIMJVWYJTUKLG-TZMCWYRMSA-N -1 3 383.466 3.288 20 0 GGADHM CCC(CC)N(CC(C)C)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000481259243 567667180 /nfs/dbraw/zinc/66/71/80/567667180.db2.gz PGOGQDGKEOOJHM-UHFFFAOYSA-N -1 3 375.560 3.012 20 0 GGADHM CC(C)CO[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000531577645 567667733 /nfs/dbraw/zinc/66/77/33/567667733.db2.gz ZBWZMXDOHVGTRS-ZDUSSCGKSA-N -1 3 393.281 3.178 20 0 GGADHM O=S(=O)([N-]C1(C2CC2)CC1)c1ccc(Br)cc1Br ZINC000531603052 567668284 /nfs/dbraw/zinc/66/82/84/567668284.db2.gz JJGMNAJGTYUPLO-UHFFFAOYSA-N -1 3 395.116 3.433 20 0 GGADHM COc1cccc(CC[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000441549558 567668407 /nfs/dbraw/zinc/66/84/07/567668407.db2.gz XUUBSVDCCXEPRA-UHFFFAOYSA-N -1 3 382.894 3.479 20 0 GGADHM Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000481307092 567669429 /nfs/dbraw/zinc/66/94/29/567669429.db2.gz JDSVIEJOAVFEOQ-UHFFFAOYSA-N -1 3 393.184 3.434 20 0 GGADHM O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1cc([O-])ccc1Cl ZINC000507241881 567669406 /nfs/dbraw/zinc/66/94/06/567669406.db2.gz BSMZMOMVKMHPBI-GFCCVEGCSA-N -1 3 398.684 3.389 20 0 GGADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000441632983 567670785 /nfs/dbraw/zinc/67/07/85/567670785.db2.gz HWBWRYZAIHWWBL-ZDUSSCGKSA-N -1 3 378.475 3.289 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000572873773 567671309 /nfs/dbraw/zinc/67/13/09/567671309.db2.gz GJUMMFMXERXIEX-UONOGXRCSA-N -1 3 379.881 3.314 20 0 GGADHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441617209 567671631 /nfs/dbraw/zinc/67/16/31/567671631.db2.gz ZJXYCTQYSWFERZ-UHFFFAOYSA-N -1 3 378.784 3.022 20 0 GGADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000572861474 567671751 /nfs/dbraw/zinc/67/17/51/567671751.db2.gz RRTLRXZZXQKNKQ-JTQLQIEISA-N -1 3 395.834 3.478 20 0 GGADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000572873772 567671844 /nfs/dbraw/zinc/67/18/44/567671844.db2.gz GJUMMFMXERXIEX-KGLIPLIRSA-N -1 3 379.881 3.314 20 0 GGADHM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC000531657891 567671853 /nfs/dbraw/zinc/67/18/53/567671853.db2.gz HTAVFEAHCAAKOM-UHFFFAOYSA-N -1 3 388.198 3.231 20 0 GGADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1CCCC[C@H]1OC(F)F 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TTYMNVOONFQVKU-BDJLRTHQSA-N -1 3 385.844 3.308 20 0 GGADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)OCO2 ZINC000481458557 567679168 /nfs/dbraw/zinc/67/91/68/567679168.db2.gz ZMZZWSKVZWGGFQ-SNVBAGLBSA-N -1 3 378.222 3.303 20 0 GGADHM CCCN(CC(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000441968921 567679445 /nfs/dbraw/zinc/67/94/45/567679445.db2.gz LYJUTJOLJQHSNI-UHFFFAOYSA-N -1 3 394.534 3.033 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000481466385 567679963 /nfs/dbraw/zinc/67/99/63/567679963.db2.gz PEXMIIIHADQSRU-YEORSEQZSA-N -1 3 385.894 3.413 20 0 GGADHM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000441989016 567680206 /nfs/dbraw/zinc/68/02/06/567680206.db2.gz GKYGYLTUKUKQQJ-OLZOCXBDSA-N -1 3 394.534 3.079 20 0 GGADHM CC[C@@H]1CC[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000531802654 567680458 /nfs/dbraw/zinc/68/04/58/567680458.db2.gz RALNTHQIFKWYBV-OCCSQVGLSA-N -1 3 382.233 3.296 20 0 GGADHM O=S(=O)(Cc1ccccc1Br)[N-][C@H]1CCO[C@H]1c1ccccc1 ZINC000553767062 567681496 /nfs/dbraw/zinc/68/14/96/567681496.db2.gz BDHVRNMCVSREQC-IRXDYDNUSA-N -1 3 396.306 3.399 20 0 GGADHM CS(=O)(=O)[N-]c1cc(-c2nc(Cc3ccccc3Cl)no2)ccc1F ZINC000553771119 567682267 /nfs/dbraw/zinc/68/22/67/567682267.db2.gz YWIYFPSSESKBFO-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000481495959 567682453 /nfs/dbraw/zinc/68/24/53/567682453.db2.gz WCLWXXJUPKHQFS-LLVKDONJSA-N -1 3 382.295 3.054 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2c([nH]c1=O)CCCC2=O ZINC000573028632 567682729 /nfs/dbraw/zinc/68/27/29/567682729.db2.gz VCCPBDINVIOREM-UHFFFAOYSA-N -1 3 377.194 3.027 20 0 GGADHM Cc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1Br ZINC000481508011 567683018 /nfs/dbraw/zinc/68/30/18/567683018.db2.gz NHUWSPJHYBPRTO-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1Br ZINC000481508011 567683023 /nfs/dbraw/zinc/68/30/23/567683023.db2.gz NHUWSPJHYBPRTO-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1Br ZINC000481508011 567683028 /nfs/dbraw/zinc/68/30/28/567683028.db2.gz NHUWSPJHYBPRTO-UHFFFAOYSA-N -1 3 378.152 3.216 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)sc1Br ZINC000481500096 567683905 /nfs/dbraw/zinc/68/39/05/567683905.db2.gz FFOCWEXTVXQFSC-SNVBAGLBSA-N -1 3 384.361 3.285 20 0 GGADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000553776490 567683975 /nfs/dbraw/zinc/68/39/75/567683975.db2.gz OMTWHAPZLUZEKG-UHFFFAOYSA-N -1 3 385.285 3.481 20 0 GGADHM O=S(=O)(Cc1cccc(F)c1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481512105 567684096 /nfs/dbraw/zinc/68/40/96/567684096.db2.gz VLNONIOXOZFCCN-AWEZNQCLSA-N -1 3 378.252 3.286 20 0 GGADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1 ZINC000507544557 567684535 /nfs/dbraw/zinc/68/45/35/567684535.db2.gz CGUKSBDHUJBUNF-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM CCCCn1c(=O)[n-]nc1SCC(=O)c1cc(OC)c(OC)cc1Cl ZINC000597137552 567685209 /nfs/dbraw/zinc/68/52/09/567685209.db2.gz GWDVNMLXXNZERT-UHFFFAOYSA-N -1 3 385.873 3.429 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)c(C)o1 ZINC000507567862 567685790 /nfs/dbraw/zinc/68/57/90/567685790.db2.gz NZKGOVCZJMSNTL-UHFFFAOYSA-N -1 3 382.239 3.403 20 0 GGADHM O=C(N=c1cc(-c2ccc(I)cc2)[n-][nH]1)[C@H]1CC=CCC1 ZINC000553796535 567686619 /nfs/dbraw/zinc/68/66/19/567686619.db2.gz SFSPEBBOABFZPY-LBPRGKRZSA-N -1 3 393.228 3.398 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c(OC)c1 ZINC000507555251 567686745 /nfs/dbraw/zinc/68/67/45/567686745.db2.gz WPBZASPVTKVXMM-UHFFFAOYSA-N -1 3 387.816 3.384 20 0 GGADHM O=C(N=c1cc(-c2ccc(I)cc2)[n-][nH]1)[C@@H]1CC=CCC1 ZINC000553796534 567686859 /nfs/dbraw/zinc/68/68/59/567686859.db2.gz SFSPEBBOABFZPY-GFCCVEGCSA-N -1 3 393.228 3.398 20 0 GGADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000531910995 567687103 /nfs/dbraw/zinc/68/71/03/567687103.db2.gz AUXKUQIRCGSCEO-UHFFFAOYSA-N -1 3 399.925 3.283 20 0 GGADHM Cc1cc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)[n-]c(=O)n1 ZINC000531901063 567687122 /nfs/dbraw/zinc/68/71/22/567687122.db2.gz BBWKJCMZYNXPRT-UHFFFAOYSA-N -1 3 380.217 3.197 20 0 GGADHM O=S(=O)([N-]c1cnc2n1CCCC2)c1cc(Cl)ccc1OC(F)F ZINC000573104078 567687367 /nfs/dbraw/zinc/68/73/67/567687367.db2.gz ROAWCYFYPJGWAF-UHFFFAOYSA-N -1 3 377.800 3.275 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2Cl)s1 ZINC000553818857 567687523 /nfs/dbraw/zinc/68/75/23/567687523.db2.gz GPUFMBNPMQZUDO-UHFFFAOYSA-N -1 3 387.914 3.011 20 0 GGADHM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 ZINC000531912309 567687867 /nfs/dbraw/zinc/68/78/67/567687867.db2.gz OOZRAGCLYQOTJG-UHFFFAOYSA-N -1 3 388.198 3.231 20 0 GGADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cscc1Br ZINC000573104279 567688530 /nfs/dbraw/zinc/68/85/30/567688530.db2.gz MMVRRSDMGPMNSI-UHFFFAOYSA-N -1 3 375.269 3.394 20 0 GGADHM CCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000531936001 567689033 /nfs/dbraw/zinc/68/90/33/567689033.db2.gz BARDZLVPHWPLQX-UHFFFAOYSA-N -1 3 377.238 3.086 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(=O)n(C)c1 ZINC000481603003 567690562 /nfs/dbraw/zinc/69/05/62/567690562.db2.gz XFJCREGDARUGNJ-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000573131890 567690726 /nfs/dbraw/zinc/69/07/26/567690726.db2.gz ONMSDUBWAXEXAG-VFZGTOFNSA-N -1 3 386.242 3.389 20 0 GGADHM CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(OC)c([O-])c1Br ZINC000597244159 567691431 /nfs/dbraw/zinc/69/14/31/567691431.db2.gz ZCIGQWXFVFBJAK-SUMWQHHRSA-N -1 3 386.286 3.375 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000481612463 567691519 /nfs/dbraw/zinc/69/15/19/567691519.db2.gz UNHPJHHUUJVZMS-RYUDHWBXSA-N -1 3 383.466 3.288 20 0 GGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000553852856 567691710 /nfs/dbraw/zinc/69/17/10/567691710.db2.gz LLSKORDSHZQMCT-WDEREUQCSA-N -1 3 385.379 3.208 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000481613643 567691830 /nfs/dbraw/zinc/69/18/30/567691830.db2.gz OZNOCOLYJRNVRD-AAEUAGOBSA-N -1 3 383.466 3.288 20 0 GGADHM O=S(=O)([N-]c1ccc(OCCCO)cc1)c1ccc(C(F)(F)F)cc1 ZINC000507633618 567692221 /nfs/dbraw/zinc/69/22/21/567692221.db2.gz CMVJORSCFFLLJI-UHFFFAOYSA-N -1 3 375.368 3.267 20 0 GGADHM CCc1cnccc1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553857134 567692365 /nfs/dbraw/zinc/69/23/65/567692365.db2.gz QEGVSFQCSLPPQA-UHFFFAOYSA-N -1 3 378.347 3.160 20 0 GGADHM CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(Br)c1[O-] ZINC000532020472 567693157 /nfs/dbraw/zinc/69/31/57/567693157.db2.gz JCMNLVWPSXVJDC-UHFFFAOYSA-N -1 3 377.282 3.359 20 0 GGADHM O=S(=O)([N-]c1cc(F)c(N2CCOCC2)cc1F)c1cccc(Cl)c1 ZINC000507652935 567693098 /nfs/dbraw/zinc/69/30/98/567693098.db2.gz YQSSOGCPHHSSQE-UHFFFAOYSA-N -1 3 388.823 3.256 20 0 GGADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443301654 567745949 /nfs/dbraw/zinc/74/59/49/567745949.db2.gz NARPPVXNXLCLPX-GFCCVEGCSA-N -1 3 384.723 3.178 20 0 GGADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000553883431 567694165 /nfs/dbraw/zinc/69/41/65/567694165.db2.gz NFXFJYMOLFCYAE-ZNMIVQPWSA-N -1 3 391.892 3.457 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nccn2-c2ccccc2)c1 ZINC000460586192 567694249 /nfs/dbraw/zinc/69/42/49/567694249.db2.gz QTKZMRKZXOSFKJ-UHFFFAOYSA-N -1 3 377.853 3.013 20 0 GGADHM Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(F)cc2Br)c(=O)[n-]1 ZINC000481693467 567696313 /nfs/dbraw/zinc/69/63/13/567696313.db2.gz SNKNTURVLCQOQT-UHFFFAOYSA-N -1 3 396.260 3.292 20 0 GGADHM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000553895693 567697405 /nfs/dbraw/zinc/69/74/05/567697405.db2.gz QUOXJYRLXCMWJQ-CQSZACIVSA-N -1 3 375.918 3.062 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000553909552 567698485 /nfs/dbraw/zinc/69/84/85/567698485.db2.gz TYNAZSZUUCTZLV-QGHHPUGFSA-N -1 3 385.844 3.429 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000553909551 567699040 /nfs/dbraw/zinc/69/90/40/567699040.db2.gz TYNAZSZUUCTZLV-DYZYQPBXSA-N -1 3 385.844 3.429 20 0 GGADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000553909550 567699113 /nfs/dbraw/zinc/69/91/13/567699113.db2.gz TYNAZSZUUCTZLV-BTDLBPIBSA-N -1 3 385.844 3.429 20 0 GGADHM Cn1c(=O)[n-]nc1SCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000532152635 567700681 /nfs/dbraw/zinc/70/06/81/567700681.db2.gz UYMZYOGDCDSHFY-LBPRGKRZSA-N -1 3 387.292 3.283 20 0 GGADHM O=C(N=c1[nH][n-]cc1Br)c1cccnc1Sc1ccccc1 ZINC000646214960 567701812 /nfs/dbraw/zinc/70/18/12/567701812.db2.gz HNRVZPBGISSJAG-UHFFFAOYSA-N -1 3 375.251 3.393 20 0 GGADHM COc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c(Br)c1[O-] ZINC000573291541 567702151 /nfs/dbraw/zinc/70/21/51/567702151.db2.gz SOSOPAZLHKVHDJ-BEFAXECRSA-N -1 3 392.293 3.419 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000442740947 567703725 /nfs/dbraw/zinc/70/37/25/567703725.db2.gz GIVMAKMFCYSWRC-UHFFFAOYSA-N -1 3 391.873 3.157 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000442738364 567704254 /nfs/dbraw/zinc/70/42/54/567704254.db2.gz CKMYMCUVLJHGEQ-UHFFFAOYSA-N -1 3 387.910 3.408 20 0 GGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1c(F)cncc1F ZINC000554000730 567704745 /nfs/dbraw/zinc/70/47/45/567704745.db2.gz KAYOVGWTFKZNGZ-MRVPVSSYSA-N -1 3 386.196 3.388 20 0 GGADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)[n-]1 ZINC000597561749 567704934 /nfs/dbraw/zinc/70/49/34/567704934.db2.gz TWVDLDOVNDHGPQ-UHFFFAOYSA-N -1 3 396.241 3.145 20 0 GGADHM CCOC(=O)c1nc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c[n-]1 ZINC000597561749 567704938 /nfs/dbraw/zinc/70/49/38/567704938.db2.gz TWVDLDOVNDHGPQ-UHFFFAOYSA-N -1 3 396.241 3.145 20 0 GGADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(-c2csnn2)cc1 ZINC000460827119 567704976 /nfs/dbraw/zinc/70/49/76/567704976.db2.gz AGSXNFDLPYZEPM-UHFFFAOYSA-N -1 3 379.438 3.165 20 0 GGADHM O=S(=O)(Cc1cccc(Br)c1)[N-][C@H]1COc2ccc(F)cc21 ZINC000573332553 567706378 /nfs/dbraw/zinc/70/63/78/567706378.db2.gz HZWOLEJRCWEMBB-AWEZNQCLSA-N -1 3 386.242 3.141 20 0 GGADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)C1(CC)CC ZINC000442762340 567706873 /nfs/dbraw/zinc/70/68/73/567706873.db2.gz QOUVUETYUZBGJP-STQMWFEESA-N -1 3 389.539 3.105 20 0 GGADHM CCC(C)(C)CNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000554092843 567708112 /nfs/dbraw/zinc/70/81/12/567708112.db2.gz OOYJLXQOLZIBTP-UHFFFAOYSA-N -1 3 396.340 3.007 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2oc(SC)cc2C)cc1OC ZINC000666865303 567708827 /nfs/dbraw/zinc/70/88/27/567708827.db2.gz KFLXRVOFQGFACD-UHFFFAOYSA-N -1 3 384.479 3.332 20 0 GGADHM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2F)cc1Br ZINC000507828185 567709196 /nfs/dbraw/zinc/70/91/96/567709196.db2.gz GKILHPHLFBJOLA-UHFFFAOYSA-N -1 3 392.221 3.214 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)s1 ZINC000460905709 567709406 /nfs/dbraw/zinc/70/94/06/567709406.db2.gz CEIDJUYBMFWBGG-VIFPVBQESA-N -1 3 398.897 3.448 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC(C)(C)c1cccc(C)c1 ZINC000442806234 567709466 /nfs/dbraw/zinc/70/94/66/567709466.db2.gz BNUWPIAFTSDEPL-UHFFFAOYSA-N -1 3 381.519 3.408 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccccc2)s1 ZINC000460896985 567709488 /nfs/dbraw/zinc/70/94/88/567709488.db2.gz PZWJIVKEMJGLBI-OAHLLOKOSA-N -1 3 382.507 3.067 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)s1 ZINC000460901627 567709667 /nfs/dbraw/zinc/70/96/67/567709667.db2.gz CWQKSAMGJXUJFK-GFCCVEGCSA-N -1 3 375.519 3.331 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000442810032 567709919 /nfs/dbraw/zinc/70/99/19/567709919.db2.gz MMYFHTPDYNGNHB-UHFFFAOYSA-N -1 3 377.846 3.114 20 0 GGADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(C1CCC1)C1CCC1 ZINC000573381192 567709937 /nfs/dbraw/zinc/70/99/37/567709937.db2.gz XEWDEAVDWXBLPI-UHFFFAOYSA-N -1 3 390.958 3.012 20 0 GGADHM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)c1 ZINC000442818279 567710095 /nfs/dbraw/zinc/71/00/95/567710095.db2.gz ZZYWNCACEDYNJJ-LBPRGKRZSA-N -1 3 383.491 3.281 20 0 GGADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2nc3cnccc3s2)n1 ZINC000597654779 567710266 /nfs/dbraw/zinc/71/02/66/567710266.db2.gz VVTMBNGWJSGNCQ-UHFFFAOYSA-N -1 3 376.463 3.241 20 0 GGADHM CCCN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@@H]1CCN(C)C1 ZINC000646356311 567710592 /nfs/dbraw/zinc/71/05/92/567710592.db2.gz GGORYPCZZCHJRF-CQSZACIVSA-N -1 3 379.917 3.228 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)s1 ZINC000460919812 567710748 /nfs/dbraw/zinc/71/07/48/567710748.db2.gz YIDNOAODDQFBKL-UHFFFAOYSA-N -1 3 393.559 3.426 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000460933583 567711096 /nfs/dbraw/zinc/71/10/96/567711096.db2.gz GJHLZOICYFVIGD-NSHDSACASA-N -1 3 379.507 3.094 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)c(F)cc1F ZINC000573408147 567711499 /nfs/dbraw/zinc/71/14/99/567711499.db2.gz PTKKLWWWCQJREZ-HNNXBMFYSA-N -1 3 375.462 3.373 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000460951264 567712060 /nfs/dbraw/zinc/71/20/60/567712060.db2.gz JRBVDGVBEMKOLT-KRWDZBQOSA-N -1 3 382.507 3.152 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000442851430 567712063 /nfs/dbraw/zinc/71/20/63/567712063.db2.gz RFRGIJZHFQAKNZ-GFCCVEGCSA-N -1 3 392.279 3.262 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)s1 ZINC000460952429 567712150 /nfs/dbraw/zinc/71/21/50/567712150.db2.gz BTPMZRZPZRQQLP-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)[C@H](C)CC)c2)s1 ZINC000460948857 567712262 /nfs/dbraw/zinc/71/22/62/567712262.db2.gz ANKPPAMTRJEBQF-GFCCVEGCSA-N -1 3 381.523 3.169 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)CC(C)C)c2)s1 ZINC000460946728 567712395 /nfs/dbraw/zinc/71/23/95/567712395.db2.gz OUXMZKRVVDRFIT-UHFFFAOYSA-N -1 3 381.523 3.169 20 0 GGADHM CC[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cn1 ZINC000442864624 567712628 /nfs/dbraw/zinc/71/26/28/567712628.db2.gz DEOGOCIZVBGYJM-CQSZACIVSA-N -1 3 389.855 3.032 20 0 GGADHM O=C1[C@@H]2c3ccccc3CCN2C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000554143977 567712844 /nfs/dbraw/zinc/71/28/44/567712844.db2.gz CIWHECZUUNKIAA-INIZCTEOSA-N -1 3 387.233 3.216 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(=O)c3cc(Br)ccc3[n-]1)CO2 ZINC000532424035 567715226 /nfs/dbraw/zinc/71/52/26/567715226.db2.gz JIICFXYMGTXVSU-MRXNPFEDSA-N -1 3 399.244 3.463 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000573461081 567715311 /nfs/dbraw/zinc/71/53/11/567715311.db2.gz NKABTQKLYGGABJ-KSSFIOAISA-N -1 3 379.503 3.315 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000442903418 567716186 /nfs/dbraw/zinc/71/61/86/567716186.db2.gz PQAORJVBTMRLRH-SECBINFHSA-N -1 3 397.913 3.238 20 0 GGADHM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000442903418 567716191 /nfs/dbraw/zinc/71/61/91/567716191.db2.gz PQAORJVBTMRLRH-SECBINFHSA-N -1 3 397.913 3.238 20 0 GGADHM COc1ccc(SCC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000461022657 567717034 /nfs/dbraw/zinc/71/70/34/567717034.db2.gz JBZONDDSUOTMJR-UHFFFAOYSA-N -1 3 380.491 3.106 20 0 GGADHM CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000461022618 567717169 /nfs/dbraw/zinc/71/71/69/567717169.db2.gz AGHVUVGKGJJTOD-UHFFFAOYSA-N -1 3 378.947 3.157 20 0 GGADHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000573506429 567717534 /nfs/dbraw/zinc/71/75/34/567717534.db2.gz MDYHVKPTFTUODN-SECBINFHSA-N -1 3 398.319 3.161 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)cn1 ZINC000507933481 567717647 /nfs/dbraw/zinc/71/76/47/567717647.db2.gz IAHJPTFIHFVCNI-UHFFFAOYSA-N -1 3 395.637 3.446 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000442910780 567717688 /nfs/dbraw/zinc/71/76/88/567717688.db2.gz FLWIJFWBDUDLAF-UHFFFAOYSA-N -1 3 379.503 3.243 20 0 GGADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000442911718 567717858 /nfs/dbraw/zinc/71/78/58/567717858.db2.gz HCGMTKUOENYRHS-AWEZNQCLSA-N -1 3 379.503 3.242 20 0 GGADHM COc1cc(F)c(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)cc1OC ZINC000554265044 567717898 /nfs/dbraw/zinc/71/78/98/567717898.db2.gz MOQDLDLCCFMZTD-UHFFFAOYSA-N -1 3 387.860 3.407 20 0 GGADHM CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442940092 567718820 /nfs/dbraw/zinc/71/88/20/567718820.db2.gz KPHPRLJWOQCVBU-ABAIWWIYSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442940092 567718826 /nfs/dbraw/zinc/71/88/26/567718826.db2.gz KPHPRLJWOQCVBU-ABAIWWIYSA-N -1 3 383.905 3.109 20 0 GGADHM CC[C@H](C)N(CC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000597856958 567719045 /nfs/dbraw/zinc/71/90/45/567719045.db2.gz RYDWLGXOWMPEJC-JTQLQIEISA-N -1 3 398.244 3.393 20 0 GGADHM O=S(=O)([N-]C1CCN(Cc2scnc2C2CC2)CC1)c1cccs1 ZINC000573515291 567719211 /nfs/dbraw/zinc/71/92/11/567719211.db2.gz XWDBFNQARYAMRH-UHFFFAOYSA-N -1 3 383.564 3.025 20 0 GGADHM O=S(=O)(CCc1ccccc1Br)[N-]c1nc2ccccc2[nH]1 ZINC000461105719 567719908 /nfs/dbraw/zinc/71/99/08/567719908.db2.gz FSEPFQZYZXRLNT-UHFFFAOYSA-N -1 3 380.267 3.310 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)ccc1[O-] ZINC000442952266 567720641 /nfs/dbraw/zinc/72/06/41/567720641.db2.gz QZDIKLCQQQVJJT-QGZVFWFLSA-N -1 3 392.249 3.377 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3cccc(Cl)c3F)n2)cc1 ZINC000573530070 567720738 /nfs/dbraw/zinc/72/07/38/567720738.db2.gz QOGVXNKUMQHGFI-UHFFFAOYSA-N -1 3 381.816 3.491 20 0 GGADHM CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442984662 567721189 /nfs/dbraw/zinc/72/11/89/567721189.db2.gz AKSMBVIVUBVTCG-UHFFFAOYSA-N -1 3 398.275 3.389 20 0 GGADHM CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442984662 567721195 /nfs/dbraw/zinc/72/11/95/567721195.db2.gz AKSMBVIVUBVTCG-UHFFFAOYSA-N -1 3 398.275 3.389 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)s1 ZINC000573560701 567721594 /nfs/dbraw/zinc/72/15/94/567721594.db2.gz MGMXMMCCJIYIPT-UONOGXRCSA-N -1 3 390.546 3.012 20 0 GGADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000461114834 567721599 /nfs/dbraw/zinc/72/15/99/567721599.db2.gz QZNCPDAKVCUQBK-QFIPXVFZSA-N -1 3 375.874 3.467 20 0 GGADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)s1 ZINC000573560703 567721630 /nfs/dbraw/zinc/72/16/30/567721630.db2.gz MGMXMMCCJIYIPT-ZIAGYGMSSA-N -1 3 390.546 3.012 20 0 GGADHM CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442992478 567722510 /nfs/dbraw/zinc/72/25/10/567722510.db2.gz VRIYQGQQEFUCKP-UHFFFAOYSA-N -1 3 397.913 3.181 20 0 GGADHM CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442992478 567722514 /nfs/dbraw/zinc/72/25/14/567722514.db2.gz VRIYQGQQEFUCKP-UHFFFAOYSA-N -1 3 397.913 3.181 20 0 GGADHM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000508006416 567722613 /nfs/dbraw/zinc/72/26/13/567722613.db2.gz FUSPUBLCQPHAOB-UHFFFAOYSA-N -1 3 393.336 3.358 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ccc21 ZINC000443007488 567723101 /nfs/dbraw/zinc/72/31/01/567723101.db2.gz OTDSVHJSSFNXGG-MRXNPFEDSA-N -1 3 379.865 3.401 20 0 GGADHM Cc1cn(-c2ncccc2F)nc1NCc1cc([O-])ccc1Br ZINC000532566175 567723343 /nfs/dbraw/zinc/72/33/43/567723343.db2.gz UWKXSPZISHOIJF-UHFFFAOYSA-N -1 3 377.217 3.217 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000508030656 567723695 /nfs/dbraw/zinc/72/36/95/567723695.db2.gz PZLYPLUAUGVOLU-UHFFFAOYSA-N -1 3 388.823 3.234 20 0 GGADHM CC(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443023639 567723963 /nfs/dbraw/zinc/72/39/63/567723963.db2.gz MEPWYEMWDOVUAA-GFCCVEGCSA-N -1 3 383.905 3.109 20 0 GGADHM CC(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443023639 567723967 /nfs/dbraw/zinc/72/39/67/567723967.db2.gz MEPWYEMWDOVUAA-GFCCVEGCSA-N -1 3 383.905 3.109 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(F)cc1 ZINC000443014969 567724044 /nfs/dbraw/zinc/72/40/44/567724044.db2.gz DXWVMZUYCIFYCJ-LLVKDONJSA-N -1 3 385.844 3.348 20 0 GGADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)no1 ZINC000532614416 567724117 /nfs/dbraw/zinc/72/41/17/567724117.db2.gz DJCLHPIPMBLAEC-UHFFFAOYSA-N -1 3 399.188 3.243 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(F)c1 ZINC000508066440 567724324 /nfs/dbraw/zinc/72/43/24/567724324.db2.gz BQENOLVVEHAOPU-UHFFFAOYSA-N -1 3 375.780 3.347 20 0 GGADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000532605770 567724394 /nfs/dbraw/zinc/72/43/94/567724394.db2.gz WLNHYBYTNIOXHX-OAHLLOKOSA-N -1 3 375.368 3.286 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000443021915 567724437 /nfs/dbraw/zinc/72/44/37/567724437.db2.gz VECIKAZCNDRDEZ-UHFFFAOYSA-N -1 3 379.434 3.306 20 0 GGADHM CCOc1cc(Br)c(NC(=O)c2cc([O-])cc(=O)[nH]2)cc1OCC ZINC000667095135 567724409 /nfs/dbraw/zinc/72/44/09/567724409.db2.gz QSYJTUULTICHNV-UHFFFAOYSA-N -1 3 397.225 3.305 20 0 GGADHM C[C@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000532614874 567724574 /nfs/dbraw/zinc/72/45/74/567724574.db2.gz HNMQISPJANSFTO-ZDUSSCGKSA-N -1 3 393.281 3.247 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccc(OCC(C)C)c1 ZINC000443015694 567724719 /nfs/dbraw/zinc/72/47/19/567724719.db2.gz SXWGONXGIVBPAT-UHFFFAOYSA-N -1 3 383.491 3.048 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443023614 567724759 /nfs/dbraw/zinc/72/47/59/567724759.db2.gz MCDUUTOVTWVUAK-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443023614 567724763 /nfs/dbraw/zinc/72/47/63/567724763.db2.gz MCDUUTOVTWVUAK-XHDPSFHLSA-N -1 3 383.905 3.109 20 0 GGADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(C)(C)c2ccc(Cl)cc2)s1 ZINC000573589806 567724950 /nfs/dbraw/zinc/72/49/50/567724950.db2.gz NXFSVCULGVQFNG-UHFFFAOYSA-N -1 3 387.914 3.011 20 0 GGADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000508069978 567725210 /nfs/dbraw/zinc/72/52/10/567725210.db2.gz TYVLIGPNOYTWEU-LLVKDONJSA-N -1 3 377.306 3.014 20 0 GGADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(F)c1 ZINC000508073320 567725246 /nfs/dbraw/zinc/72/52/46/567725246.db2.gz JQHYAWPVJWJHBP-UHFFFAOYSA-N -1 3 375.780 3.347 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(C)cn1 ZINC000532619439 567725670 /nfs/dbraw/zinc/72/56/70/567725670.db2.gz IRHKXUXLEQAKLW-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](c2cccs2)C2CC2)ccc1F ZINC000554385047 567725956 /nfs/dbraw/zinc/72/59/56/567725956.db2.gz YJJSTMXRPJOCQJ-HNNXBMFYSA-N -1 3 383.470 3.068 20 0 GGADHM O=S(=O)([N-]CCOc1ncccc1F)c1c(Cl)ccc2ccccc21 ZINC000532618791 567725979 /nfs/dbraw/zinc/72/59/79/567725979.db2.gz CDASEFLJABPOGJ-UHFFFAOYSA-N -1 3 380.828 3.385 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)C(=O)c1ccc(Cl)s1 ZINC000461230423 567725943 /nfs/dbraw/zinc/72/59/43/567725943.db2.gz DCRBWXNUFBZQPT-UHFFFAOYSA-N -1 3 381.244 3.094 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)c2ccccc21 ZINC000443030339 567726001 /nfs/dbraw/zinc/72/60/01/567726001.db2.gz SXLGDYGFBFZYIL-CYBMUJFWSA-N -1 3 380.491 3.021 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1C ZINC000443039622 567726027 /nfs/dbraw/zinc/72/60/27/567726027.db2.gz SSFWDKCIRXTIPT-CYBMUJFWSA-N -1 3 381.881 3.345 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1cc(Cl)cc(Cl)c1 ZINC000443030266 567726397 /nfs/dbraw/zinc/72/63/97/567726397.db2.gz SWDPNEOKQNHMLQ-UHFFFAOYSA-N -1 3 394.301 3.363 20 0 GGADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)COc1ccccc1Cl ZINC000461232024 567726599 /nfs/dbraw/zinc/72/65/99/567726599.db2.gz ZSBHSZAEKZOWOY-UHFFFAOYSA-N -1 3 377.231 3.228 20 0 GGADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]CC(F)(F)c3ccc(Cl)cc3)cc2o1 ZINC000508081319 567726682 /nfs/dbraw/zinc/72/66/82/567726682.db2.gz BYVRIXUYTZAFFY-UHFFFAOYSA-N -1 3 388.779 3.257 20 0 GGADHM CCc1nc(CN2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)cs1 ZINC000667131323 567726831 /nfs/dbraw/zinc/72/68/31/567726831.db2.gz XDCNAJPNGDLJAS-UHFFFAOYSA-N -1 3 377.535 3.091 20 0 GGADHM COc1ccc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1Br ZINC000554420132 567727071 /nfs/dbraw/zinc/72/70/71/567727071.db2.gz FOKGGWHDKKYJDF-NSHDSACASA-N -1 3 389.253 3.410 20 0 GGADHM CC(C)(C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000443049678 567727065 /nfs/dbraw/zinc/72/70/65/567727065.db2.gz YHMQKAVAHYDTMQ-CYBMUJFWSA-N -1 3 379.309 3.064 20 0 GGADHM COc1cc(C(=O)NC(C)(C)COc2ncccc2Br)ccc1[O-] ZINC000443060445 567727834 /nfs/dbraw/zinc/72/78/34/567727834.db2.gz RSLOQUMHSYRTRC-UHFFFAOYSA-N -1 3 395.253 3.146 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c1C ZINC000508086279 567728101 /nfs/dbraw/zinc/72/81/01/567728101.db2.gz BRDNXLWXLZOPTC-UHFFFAOYSA-N -1 3 378.441 3.055 20 0 GGADHM COc1ccc(Br)c(CN(C)C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000554442086 567728334 /nfs/dbraw/zinc/72/83/34/567728334.db2.gz AFPLKKIHYAYFMW-UHFFFAOYSA-N -1 3 389.253 3.191 20 0 GGADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532687192 567728683 /nfs/dbraw/zinc/72/86/83/567728683.db2.gz VBMHZXMQPVWOLU-GFCCVEGCSA-N -1 3 391.265 3.122 20 0 GGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443068357 567728743 /nfs/dbraw/zinc/72/87/43/567728743.db2.gz KMJCZMSVGKCOQT-OAHLLOKOSA-N -1 3 381.881 3.426 20 0 GGADHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443067332 567729032 /nfs/dbraw/zinc/72/90/32/567729032.db2.gz IZJLUWOJOUJGTE-ZDUSSCGKSA-N -1 3 383.491 3.363 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000532695991 567729355 /nfs/dbraw/zinc/72/93/55/567729355.db2.gz METZNNZMCWJPLE-UHFFFAOYSA-N -1 3 395.253 3.206 20 0 GGADHM COCc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1 ZINC000508096443 567729452 /nfs/dbraw/zinc/72/94/52/567729452.db2.gz NIGINGHZCXBUMK-UHFFFAOYSA-N -1 3 391.674 3.445 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000443085788 567730325 /nfs/dbraw/zinc/73/03/25/567730325.db2.gz CZFIMTGZGALVCS-UHFFFAOYSA-N -1 3 385.894 3.197 20 0 GGADHM O=C([N-]c1nnc(C(F)F)s1)c1cccc(F)c1I ZINC000532718897 567730610 /nfs/dbraw/zinc/73/06/10/567730610.db2.gz NOBQMTNCNXTASA-UHFFFAOYSA-N -1 3 399.135 3.472 20 0 GGADHM CC(C)Cn1cc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000461345173 567730788 /nfs/dbraw/zinc/73/07/88/567730788.db2.gz ZLXKRRQYUHMWBK-UHFFFAOYSA-N -1 3 386.315 3.286 20 0 GGADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2SC)c1 ZINC000443093858 567731238 /nfs/dbraw/zinc/73/12/38/567731238.db2.gz ZZVIPPZABIOMAK-NSHDSACASA-N -1 3 383.466 3.374 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000443093608 567731532 /nfs/dbraw/zinc/73/15/32/567731532.db2.gz ANENYOSIHMNXOC-CQSZACIVSA-N -1 3 386.470 3.135 20 0 GGADHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2nnc(C(F)F)s2)n1 ZINC000667174421 567732062 /nfs/dbraw/zinc/73/20/62/567732062.db2.gz KSZBPDUDEJDWQU-UHFFFAOYSA-N -1 3 380.218 3.442 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cc1Cl ZINC000443106618 567732559 /nfs/dbraw/zinc/73/25/59/567732559.db2.gz YKULTQXKHYMDOL-SSDOTTSWSA-N -1 3 395.289 3.276 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@@H]1C ZINC000443109516 567732615 /nfs/dbraw/zinc/73/26/15/567732615.db2.gz PNTIHAXWGUUKGO-SWLSCSKDSA-N -1 3 389.901 3.000 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCc1ccccc1 ZINC000443105844 567732701 /nfs/dbraw/zinc/73/27/01/567732701.db2.gz XGJMQINCQNLJNT-CYBMUJFWSA-N -1 3 381.881 3.426 20 0 GGADHM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cc2c(cc1Cl)OCCO2 ZINC000508129463 567732750 /nfs/dbraw/zinc/73/27/50/567732750.db2.gz AVXCKEGLFJAAKP-UHFFFAOYSA-N -1 3 381.828 3.358 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1 ZINC000508130028 567732876 /nfs/dbraw/zinc/73/28/76/567732876.db2.gz DSFIBBAAQIEOSV-HNNXBMFYSA-N -1 3 381.416 3.255 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000443108569 567732887 /nfs/dbraw/zinc/73/28/87/567732887.db2.gz NFYTVVQMRBIIFC-ZDUSSCGKSA-N -1 3 381.450 3.128 20 0 GGADHM Cc1cc2c(o1)c(C(=O)N1CCc3c(=O)[n-]cnc3C1)ccc2Br ZINC000443120899 567733776 /nfs/dbraw/zinc/73/37/76/567733776.db2.gz BCKTXUIEXRMWRS-UHFFFAOYSA-N -1 3 388.221 3.198 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1Cl)C(C)C ZINC000443117824 567733820 /nfs/dbraw/zinc/73/38/20/567733820.db2.gz OHOMWIIHIPCEEG-ZDUSSCGKSA-N -1 3 388.898 3.259 20 0 GGADHM COC(=O)[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(Cl)cc1Cl ZINC000443125299 567734045 /nfs/dbraw/zinc/73/40/45/567734045.db2.gz FBXCECDMHVBZJL-OAHLLOKOSA-N -1 3 384.215 3.352 20 0 GGADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cncc(Br)c1 ZINC000598027850 567734077 /nfs/dbraw/zinc/73/40/77/567734077.db2.gz HWZAZOYCPCJRQX-UHFFFAOYSA-N -1 3 399.335 3.447 20 0 GGADHM COc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)c(Cl)c1Cl ZINC000532775372 567734886 /nfs/dbraw/zinc/73/48/86/567734886.db2.gz WJBVVWCAIUDFSQ-GFCCVEGCSA-N -1 3 390.288 3.322 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000443135027 567734911 /nfs/dbraw/zinc/73/49/11/567734911.db2.gz QHXVCYMRRMCOHO-MRVPVSSYSA-N -1 3 377.846 3.367 20 0 GGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443143463 567735126 /nfs/dbraw/zinc/73/51/26/567735126.db2.gz CMFNXCKUOGWAKJ-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Br)s1 ZINC000443135318 567735276 /nfs/dbraw/zinc/73/52/76/567735276.db2.gz CQZAIBJFZPUXEC-SSDOTTSWSA-N -1 3 394.250 3.277 20 0 GGADHM CCOC(=O)C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(F)(F)F ZINC000598046785 567735445 /nfs/dbraw/zinc/73/54/45/567735445.db2.gz HOCVUIOBFNVPDV-SECBINFHSA-N -1 3 395.790 3.406 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000508191400 567735661 /nfs/dbraw/zinc/73/56/61/567735661.db2.gz OYAUMTKMLNCKTF-UHFFFAOYSA-N -1 3 377.249 3.344 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2C ZINC000532798493 567735914 /nfs/dbraw/zinc/73/59/14/567735914.db2.gz NJIBPTMCHNEEHW-INIZCTEOSA-N -1 3 379.865 3.401 20 0 GGADHM O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000646697971 567735878 /nfs/dbraw/zinc/73/58/78/567735878.db2.gz JNDRTEDDXGPAMM-WPPNPWJKSA-N -1 3 379.791 3.367 20 0 GGADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443156647 567736384 /nfs/dbraw/zinc/73/63/84/567736384.db2.gz OYBUZFNOZLENFO-RYUDHWBXSA-N -1 3 382.707 3.338 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC000508200668 567736675 /nfs/dbraw/zinc/73/66/75/567736675.db2.gz ZKKNQFFNOLBHIN-UHFFFAOYSA-N -1 3 381.416 3.385 20 0 GGADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cn1 ZINC000573790841 567736615 /nfs/dbraw/zinc/73/66/15/567736615.db2.gz XNULZDACMYJEQP-UHFFFAOYSA-N -1 3 390.690 3.364 20 0 GGADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000508202993 567736962 /nfs/dbraw/zinc/73/69/62/567736962.db2.gz GRMXKUHVGFGZDM-AWEZNQCLSA-N -1 3 383.432 3.487 20 0 GGADHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000443179484 567737695 /nfs/dbraw/zinc/73/76/95/567737695.db2.gz GYUXQEVWXXFEGN-CQSZACIVSA-N -1 3 390.288 3.020 20 0 GGADHM CC[C@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)OC ZINC000461463784 567737899 /nfs/dbraw/zinc/73/78/99/567737899.db2.gz NNCZDKNIQFRDIH-SECBINFHSA-N -1 3 387.661 3.099 20 0 GGADHM CC[C@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])OC ZINC000461463784 567737901 /nfs/dbraw/zinc/73/79/01/567737901.db2.gz NNCZDKNIQFRDIH-SECBINFHSA-N -1 3 387.661 3.099 20 0 GGADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Br ZINC000508222119 567738102 /nfs/dbraw/zinc/73/81/02/567738102.db2.gz MKSPENFQBNNPIN-UHFFFAOYSA-N -1 3 378.679 3.254 20 0 GGADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000508222539 567738381 /nfs/dbraw/zinc/73/83/81/567738381.db2.gz KPWSQOLRPXGDHD-UHFFFAOYSA-N -1 3 382.869 3.205 20 0 GGADHM CC(C)(C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000443199973 567738531 /nfs/dbraw/zinc/73/85/31/567738531.db2.gz SFEOWJGOKQWDQJ-GFCCVEGCSA-N -1 3 379.309 3.064 20 0 GGADHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000443192890 567738588 /nfs/dbraw/zinc/73/85/88/567738588.db2.gz LDSWSHBHDDSZSE-GFCCVEGCSA-N -1 3 390.288 3.020 20 0 GGADHM C[C@@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443191685 567738772 /nfs/dbraw/zinc/73/87/72/567738772.db2.gz AACGROWLMSVVQZ-NSHDSACASA-N -1 3 383.905 3.109 20 0 GGADHM C[C@@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443191685 567738777 /nfs/dbraw/zinc/73/87/77/567738777.db2.gz AACGROWLMSVVQZ-NSHDSACASA-N -1 3 383.905 3.109 20 0 GGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000573828456 567738787 /nfs/dbraw/zinc/73/87/87/567738787.db2.gz SVCQCZZGWVUWMF-VXJOIVPMSA-N -1 3 381.816 3.156 20 0 GGADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1 ZINC000461512101 567739303 /nfs/dbraw/zinc/73/93/03/567739303.db2.gz GLDWOOSZKIIEQX-UHFFFAOYSA-N -1 3 387.230 3.212 20 0 GGADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)N2CCCC2)cc1 ZINC000532853861 567739725 /nfs/dbraw/zinc/73/97/25/567739725.db2.gz BWBCFTQFWFESOU-GOSISDBHSA-N -1 3 379.913 3.159 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)c(C)o1 ZINC000532855464 567739757 /nfs/dbraw/zinc/73/97/57/567739757.db2.gz RYLWYLRMTPTPOJ-MRVPVSSYSA-N -1 3 375.805 3.207 20 0 GGADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1ccc(Br)c(F)c1 ZINC000443209721 567739860 /nfs/dbraw/zinc/73/98/60/567739860.db2.gz TUSDDEWXOINMKW-AWEZNQCLSA-N -1 3 386.242 3.260 20 0 GGADHM CN(Cc1cccc(O)c1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532863488 567739901 /nfs/dbraw/zinc/73/99/01/567739901.db2.gz GXHOPJNIRBVUHW-UHFFFAOYSA-N -1 3 387.233 3.268 20 0 GGADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)N2CCCC2)cc1 ZINC000532853862 567739958 /nfs/dbraw/zinc/73/99/58/567739958.db2.gz BWBCFTQFWFESOU-SFHVURJKSA-N -1 3 379.913 3.159 20 0 GGADHM [O-]c1cccc(CNCC[C@@H](O)COCc2ccccc2)c1Br ZINC000623828417 567740271 /nfs/dbraw/zinc/74/02/71/567740271.db2.gz YBDWEZAZMZEWJR-MRXNPFEDSA-N -1 3 380.282 3.212 20 0 GGADHM O=S(=O)([N-]Cc1cccc(CO)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443218461 567740854 /nfs/dbraw/zinc/74/08/54/567740854.db2.gz FRJKKQOTSRDJQH-UHFFFAOYSA-N -1 3 394.905 3.434 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000532879824 567741688 /nfs/dbraw/zinc/74/16/88/567741688.db2.gz CNFQWDKJMGBRRN-UHFFFAOYSA-N -1 3 381.837 3.045 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000443241231 567742088 /nfs/dbraw/zinc/74/20/88/567742088.db2.gz ALDYYCVNMKNNEK-BBRMVZONSA-N -1 3 379.865 3.036 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC[C@@H](C)c1ccc(OC)cc1 ZINC000443235534 567742118 /nfs/dbraw/zinc/74/21/18/567742118.db2.gz CLYXKLBBKUXIIG-GFCCVEGCSA-N -1 3 383.491 3.015 20 0 GGADHM CCOC(=O)c1nnsc1[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000508298272 567742362 /nfs/dbraw/zinc/74/23/62/567742362.db2.gz IEQDCMOPWQCFMD-SSDOTTSWSA-N -1 3 390.248 3.428 20 0 GGADHM COc1ccc(Br)cc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000573886998 567742763 /nfs/dbraw/zinc/74/27/63/567742763.db2.gz READVNYKCNIZIZ-UHFFFAOYSA-N -1 3 387.237 3.173 20 0 GGADHM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000443239371 567742751 /nfs/dbraw/zinc/74/27/51/567742751.db2.gz XZVQZCXGVNDWDK-AWEZNQCLSA-N -1 3 382.507 3.010 20 0 GGADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@H](CO)c1c(F)cccc1F ZINC000443259806 567743334 /nfs/dbraw/zinc/74/33/34/567743334.db2.gz BHXHBFKBXNFIKG-CQSZACIVSA-N -1 3 396.242 3.425 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CO)c3cccc(F)c3)s2)cs1 ZINC000443264396 567743349 /nfs/dbraw/zinc/74/33/49/567743349.db2.gz QNWVYCYALVIKBG-ZDUSSCGKSA-N -1 3 398.506 3.331 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)cc1Cl ZINC000443260059 567743410 /nfs/dbraw/zinc/74/34/10/567743410.db2.gz GDURUZLPLVJYEJ-CYBMUJFWSA-N -1 3 394.251 3.153 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CO)c3ccc(F)cc3)s2)cs1 ZINC000443262440 567744058 /nfs/dbraw/zinc/74/40/58/567744058.db2.gz KHGFSWWSYULUEM-CYBMUJFWSA-N -1 3 398.506 3.331 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000443244404 567744195 /nfs/dbraw/zinc/74/41/95/567744195.db2.gz HFMDBHAYAXRIFS-NSHDSACASA-N -1 3 385.507 3.170 20 0 GGADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000554710171 567744219 /nfs/dbraw/zinc/74/42/19/567744219.db2.gz AOOMOAIGRRDOHF-UHFFFAOYSA-N -1 3 384.723 3.444 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1Cl ZINC000443269277 567744879 /nfs/dbraw/zinc/74/48/79/567744879.db2.gz QCVLSCRWVOJTMI-LBPRGKRZSA-N -1 3 382.215 3.284 20 0 GGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000443272558 567744903 /nfs/dbraw/zinc/74/49/03/567744903.db2.gz KLFMYRDQJMFZLC-UHFFFAOYSA-N -1 3 382.295 3.198 20 0 GGADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-][C@H](CO)c1c(F)cccc1F ZINC000443274500 567744919 /nfs/dbraw/zinc/74/49/19/567744919.db2.gz QMICHRGWKHCCAV-CQSZACIVSA-N -1 3 396.242 3.425 20 0 GGADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](CO)c1ccc(F)cc1 ZINC000443280449 567744963 /nfs/dbraw/zinc/74/49/63/567744963.db2.gz XFOZNAILCKILKU-HNNXBMFYSA-N -1 3 378.252 3.286 20 0 GGADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000443279113 567745037 /nfs/dbraw/zinc/74/50/37/567745037.db2.gz XQSSXKXLEFCJCH-UHFFFAOYSA-N -1 3 394.331 3.067 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCc2ccc(O)cc2)s1 ZINC000443273545 567745083 /nfs/dbraw/zinc/74/50/83/567745083.db2.gz RPRDADVIIWHBMV-UHFFFAOYSA-N -1 3 390.324 3.436 20 0 GGADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000443268425 567745281 /nfs/dbraw/zinc/74/52/81/567745281.db2.gz WJFCIGYQOHTHJQ-LLVKDONJSA-N -1 3 382.215 3.284 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000443268434 567745467 /nfs/dbraw/zinc/74/54/67/567745467.db2.gz WJFCIGYQOHTHJQ-NSHDSACASA-N -1 3 382.215 3.284 20 0 GGADHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n[nH]1 ZINC000573939997 567746135 /nfs/dbraw/zinc/74/61/35/567746135.db2.gz JEQBVKOAMDAXJA-UHFFFAOYSA-N -1 3 378.885 3.387 20 0 GGADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443299554 567746385 /nfs/dbraw/zinc/74/63/85/567746385.db2.gz RSHYQQMQQYHTFF-NOZJJQNGSA-N -1 3 384.723 3.178 20 0 GGADHM O=C(Cc1c(Cl)cccc1Cl)NCCCNC(=O)c1cccc([O-])c1 ZINC000508384183 567746528 /nfs/dbraw/zinc/74/65/28/567746528.db2.gz TXWVCBZRQNAOCT-UHFFFAOYSA-N -1 3 381.259 3.178 20 0 GGADHM COc1cc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)ccc1[O-] ZINC000443299195 567746562 /nfs/dbraw/zinc/74/65/62/567746562.db2.gz UYTRLMCNCNZFLS-LLVKDONJSA-N -1 3 380.238 3.361 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1C[C@]12CCOC2 ZINC000461756377 567746936 /nfs/dbraw/zinc/74/69/36/567746936.db2.gz VYATVAAYPWIQMS-ZBEGNZNMSA-N -1 3 396.672 3.280 20 0 GGADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1C[C@]12CCOC2 ZINC000461756375 567747435 /nfs/dbraw/zinc/74/74/35/567747435.db2.gz VYATVAAYPWIQMS-BZNIZROVSA-N -1 3 396.672 3.280 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443310087 567747700 /nfs/dbraw/zinc/74/77/00/567747700.db2.gz IBBLAPYIIAPZTR-LLVKDONJSA-N -1 3 398.750 3.426 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)s1 ZINC000461790785 567748275 /nfs/dbraw/zinc/74/82/75/567748275.db2.gz KBIJTEOGHVRNFI-GFCCVEGCSA-N -1 3 396.372 3.286 20 0 GGADHM Cc1nc(C(F)(F)F)sc1C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000461789142 567748556 /nfs/dbraw/zinc/74/85/56/567748556.db2.gz BWBZCWCIAMOOQN-UHFFFAOYSA-N -1 3 388.396 3.453 20 0 GGADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000443322087 567748938 /nfs/dbraw/zinc/74/89/38/567748938.db2.gz RHVBMQBZYLQJGX-KOLCDFICSA-N -1 3 384.723 3.178 20 0 GGADHM O=C(CCOCC(F)F)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000573983864 567748959 /nfs/dbraw/zinc/74/89/59/567748959.db2.gz HBNQLQINNQZJFC-UHFFFAOYSA-N -1 3 392.175 3.011 20 0 GGADHM CC[C@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000598232919 567749614 /nfs/dbraw/zinc/74/96/14/567749614.db2.gz JRBMJMORJNGQIX-ZDUSSCGKSA-N -1 3 396.228 3.051 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)C(C)(C)C ZINC000443342228 567749953 /nfs/dbraw/zinc/74/99/53/567749953.db2.gz DAIXSWNQRGUENB-CQSZACIVSA-N -1 3 386.470 3.135 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)sc1Br ZINC000443343022 567750172 /nfs/dbraw/zinc/75/01/72/567750172.db2.gz OEILEANRZYZTFN-ZWNOBZJWSA-N -1 3 382.345 3.039 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000443342769 567750234 /nfs/dbraw/zinc/75/02/34/567750234.db2.gz FTLOXHZPTIDLNU-SECBINFHSA-N -1 3 389.807 3.444 20 0 GGADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000461875249 567750447 /nfs/dbraw/zinc/75/04/47/567750447.db2.gz AOBLQIGZWKKLKB-LLVKDONJSA-N -1 3 383.491 3.390 20 0 GGADHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000533094160 567750718 /nfs/dbraw/zinc/75/07/18/567750718.db2.gz GTTFASQGQWQQOL-CQSZACIVSA-N -1 3 376.261 3.014 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000443352579 567750694 /nfs/dbraw/zinc/75/06/94/567750694.db2.gz QWAWVJHVUOFGKR-UWVGGRQHSA-N -1 3 385.429 3.182 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1 ZINC000443351909 567750784 /nfs/dbraw/zinc/75/07/84/567750784.db2.gz ONKOTZUELTUUOF-AWEZNQCLSA-N -1 3 379.865 3.449 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)cc1Cl ZINC000443352323 567750798 /nfs/dbraw/zinc/75/07/98/567750798.db2.gz CRPSTQMWPKPRJQ-LSDHHAIUSA-N -1 3 382.309 3.222 20 0 GGADHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C)c(OC)cc1Br ZINC000461841085 567750808 /nfs/dbraw/zinc/75/08/08/567750808.db2.gz PUGNBJRDPMRKGA-QWRGUYRKSA-N -1 3 392.315 3.181 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)s1 ZINC000533094568 567751032 /nfs/dbraw/zinc/75/10/32/567751032.db2.gz GYOSEDADIIKPIN-GFCCVEGCSA-N -1 3 382.345 3.039 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000461877748 567751189 /nfs/dbraw/zinc/75/11/89/567751189.db2.gz UVPJWBJRYYBRMK-LLVKDONJSA-N -1 3 383.466 3.374 20 0 GGADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C ZINC000461860533 567751335 /nfs/dbraw/zinc/75/13/35/567751335.db2.gz VBVRCFFSJMWRBK-IHRRRGAJSA-N -1 3 375.918 3.468 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000443352583 567751418 /nfs/dbraw/zinc/75/14/18/567751418.db2.gz QWAWVJHVUOFGKR-ZJUUUORDSA-N -1 3 385.429 3.182 20 0 GGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574052642 567751695 /nfs/dbraw/zinc/75/16/95/567751695.db2.gz DOCXUIVZZHTLNT-GXFFZTMASA-N -1 3 392.228 3.247 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)s1 ZINC000443360779 567752111 /nfs/dbraw/zinc/75/21/11/567752111.db2.gz SSLWSNWSRNPVRQ-AAEUAGOBSA-N -1 3 382.345 3.039 20 0 GGADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1C)C(C)(C)C ZINC000443375695 567752152 /nfs/dbraw/zinc/75/21/52/567752152.db2.gz OXSYJKCELLXZRB-OAHLLOKOSA-N -1 3 382.507 3.304 20 0 GGADHM CCCOc1cccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000533103541 567752827 /nfs/dbraw/zinc/75/28/27/567752827.db2.gz AIKSFMJOMWAFJI-UHFFFAOYSA-N -1 3 388.942 3.258 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000443387881 567753860 /nfs/dbraw/zinc/75/38/60/567753860.db2.gz OWSUFOYZBRKCIA-JTQLQIEISA-N -1 3 388.258 3.203 20 0 GGADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000443380717 567754140 /nfs/dbraw/zinc/75/41/40/567754140.db2.gz IKZREXQNLMULFD-JTQLQIEISA-N -1 3 388.258 3.203 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c(F)c1 ZINC000624015558 567755179 /nfs/dbraw/zinc/75/51/79/567755179.db2.gz KDFYLEIRCUEWAJ-UHFFFAOYSA-N -1 3 384.860 3.349 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCNC(=O)C(C)(C)C)c1Cl ZINC000624016599 567755390 /nfs/dbraw/zinc/75/53/90/567755390.db2.gz KAWVIIBFMPMFEP-UHFFFAOYSA-N -1 3 381.325 3.051 20 0 GGADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cncc(Cl)c2)cc1OCC ZINC000533176153 567756354 /nfs/dbraw/zinc/75/63/54/567756354.db2.gz PVVUTWRFAYCYBE-UHFFFAOYSA-N -1 3 384.885 3.053 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2cc(Br)ccc2F)s1 ZINC000533178814 567756419 /nfs/dbraw/zinc/75/64/19/567756419.db2.gz GUEWYHFWCOOSEM-QMMMGPOBSA-N -1 3 393.303 3.263 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3cccc(Br)c3)CC2)s1 ZINC000533174426 567756641 /nfs/dbraw/zinc/75/66/41/567756641.db2.gz IMPCJSNJDPTHIJ-UHFFFAOYSA-N -1 3 387.324 3.224 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000533176497 567756669 /nfs/dbraw/zinc/75/66/69/567756669.db2.gz IYXANVGPBDNMED-UHFFFAOYSA-N -1 3 376.869 3.016 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1cncc(Cl)c1 ZINC000533176717 567756829 /nfs/dbraw/zinc/75/68/29/567756829.db2.gz UKIKGPKVLFDUEQ-UHFFFAOYSA-N -1 3 379.638 3.115 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000533176706 567756913 /nfs/dbraw/zinc/75/69/13/567756913.db2.gz SWEJDKNJSZPLDP-VIFPVBQESA-N -1 3 380.413 3.432 20 0 GGADHM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc([O-])cc(Br)c1 ZINC000624071626 567758097 /nfs/dbraw/zinc/75/80/97/567758097.db2.gz GCPRADMRFMKPFR-UHFFFAOYSA-N -1 3 383.286 3.018 20 0 GGADHM O=C(Cc1ccc([O-])cc1Cl)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000508620367 567758169 /nfs/dbraw/zinc/75/81/69/567758169.db2.gz LYQGGOALNQEPOF-MRXNPFEDSA-N -1 3 376.865 3.128 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(=O)n(C)c1 ZINC000443452677 567758277 /nfs/dbraw/zinc/75/82/77/567758277.db2.gz FNYANIMGRXLQIX-UHFFFAOYSA-N -1 3 380.775 3.167 20 0 GGADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCNc2cccc(C)n2)cc1Cl ZINC000443474161 567759775 /nfs/dbraw/zinc/75/97/75/567759775.db2.gz KFMFFZNLIGDBEF-UHFFFAOYSA-N -1 3 390.292 3.096 20 0 GGADHM CC(C)N(C)C[C@@H](C)NC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000554967227 567759815 /nfs/dbraw/zinc/75/98/15/567759815.db2.gz QALORVXVDBGUNX-CYBMUJFWSA-N -1 3 379.555 3.103 20 0 GGADHM C[C@@]1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)OCCc2sccc21 ZINC000554970578 567760357 /nfs/dbraw/zinc/76/03/57/567760357.db2.gz LOWSWMZMNRHHON-INIZCTEOSA-N -1 3 389.901 3.448 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1)C(C)C ZINC000647125930 567760756 /nfs/dbraw/zinc/76/07/56/567760756.db2.gz IPAQKHNTJOOPEG-HNNXBMFYSA-N -1 3 382.507 3.413 20 0 GGADHM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)cc1OCC(F)(F)F ZINC000647123849 567760810 /nfs/dbraw/zinc/76/08/10/567760810.db2.gz AKGIVQATAPSSLD-CQSZACIVSA-N -1 3 385.404 3.049 20 0 GGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)CCS2)C(C)C ZINC000647132756 567762311 /nfs/dbraw/zinc/76/23/11/567762311.db2.gz YQFDGXIDEJEEOR-AWEZNQCLSA-N -1 3 394.509 3.277 20 0 GGADHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1c1ccccc1 ZINC000624141792 567763334 /nfs/dbraw/zinc/76/33/34/567763334.db2.gz LJEHHQVCJWCULT-MRXNPFEDSA-N -1 3 398.937 3.290 20 0 GGADHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cccc(NC2CCCC2)c1 ZINC000555028693 567763754 /nfs/dbraw/zinc/76/37/54/567763754.db2.gz RGBPTBZHEKPQQT-UHFFFAOYSA-N -1 3 379.507 3.020 20 0 GGADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462059353 567763829 /nfs/dbraw/zinc/76/38/29/567763829.db2.gz NNAJFPIKBYQBPT-JTQLQIEISA-N -1 3 383.413 3.286 20 0 GGADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1ccc(C(F)(F)F)s1 ZINC000462066204 567765230 /nfs/dbraw/zinc/76/52/30/567765230.db2.gz GXWIYIJMTJEOOD-SECBINFHSA-N -1 3 399.843 3.475 20 0 GGADHM COC[C@H](C)[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000462065539 567765346 /nfs/dbraw/zinc/76/53/46/567765346.db2.gz AYMICMINSXDJPG-DTWKUNHWSA-N -1 3 385.237 3.230 20 0 GGADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C2CC2)n1 ZINC000462073263 567765961 /nfs/dbraw/zinc/76/59/61/567765961.db2.gz KRASOESQRATGMG-LBPRGKRZSA-N -1 3 377.413 3.295 20 0 GGADHM O=S(=O)([N-]c1cccc(-c2nc([C@@H]3CCCN3)no2)c1)c1cccs1 ZINC000647152506 567766065 /nfs/dbraw/zinc/76/60/65/567766065.db2.gz HIRCPEKKNHZKLL-ZDUSSCGKSA-N -1 3 376.463 3.023 20 0 GGADHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000462074212 567766135 /nfs/dbraw/zinc/76/61/35/567766135.db2.gz KXIIZHVOOHPKMG-JTQLQIEISA-N -1 3 393.408 3.058 20 0 GGADHM COc1ccc(NC(=O)c2ccc(F)c(I)c2)c([O-])c1 ZINC000443561527 567766661 /nfs/dbraw/zinc/76/66/61/567766661.db2.gz TWXVYVNPHDVYFR-UHFFFAOYSA-N -1 3 387.148 3.397 20 0 GGADHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)s1 ZINC000443568444 567766806 /nfs/dbraw/zinc/76/68/06/567766806.db2.gz VWLDUYMFALUIIU-RXMQYKEDSA-N -1 3 398.208 3.208 20 0 GGADHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)s1 ZINC000443568444 567766808 /nfs/dbraw/zinc/76/68/08/567766808.db2.gz VWLDUYMFALUIIU-RXMQYKEDSA-N -1 3 398.208 3.208 20 0 GGADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)s1 ZINC000443568444 567766815 /nfs/dbraw/zinc/76/68/15/567766815.db2.gz VWLDUYMFALUIIU-RXMQYKEDSA-N -1 3 398.208 3.208 20 0 GGADHM COc1ccc(NC(=O)Cc2ccccc2I)c([O-])c1 ZINC000443559337 567767034 /nfs/dbraw/zinc/76/70/34/567767034.db2.gz MXDVFZPKCKNJAG-UHFFFAOYSA-N -1 3 383.185 3.187 20 0 GGADHM COc1ccc(NC(=O)c2csc(I)c2)c([O-])c1 ZINC000443563533 567767139 /nfs/dbraw/zinc/76/71/39/567767139.db2.gz XZKGHWXXUSRZQT-UHFFFAOYSA-N -1 3 375.187 3.319 20 0 GGADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1ccc(C(F)(F)F)s1 ZINC000462075752 567767317 /nfs/dbraw/zinc/76/73/17/567767317.db2.gz SQUGWYBQFBRFRH-UHFFFAOYSA-N -1 3 388.339 3.242 20 0 GGADHM O=S(=O)([N-]C[C@@H](O)CCc1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000462077058 567767364 /nfs/dbraw/zinc/76/73/64/567767364.db2.gz WMINONRLBMBEDP-LBPRGKRZSA-N -1 3 379.425 3.039 20 0 GGADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1ccc(C(F)(F)F)s1 ZINC000462087962 567768437 /nfs/dbraw/zinc/76/84/37/567768437.db2.gz ZYMIATFQBOFZKR-UHFFFAOYSA-N -1 3 387.408 3.431 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccsc1 ZINC000462093474 567769553 /nfs/dbraw/zinc/76/95/53/567769553.db2.gz NLZNEMOUUQKXHC-JTQLQIEISA-N -1 3 384.470 3.410 20 0 GGADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1ccc(C(F)(F)F)s1 ZINC000462089774 567769887 /nfs/dbraw/zinc/76/98/87/567769887.db2.gz IJNYYVLFQHINGN-LLVKDONJSA-N -1 3 394.440 3.475 20 0 GGADHM COc1ccc([O-])c(C(=O)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000533434925 567770200 /nfs/dbraw/zinc/77/02/00/567770200.db2.gz KCBZESWDMQANNJ-UHFFFAOYSA-N -1 3 380.238 3.444 20 0 GGADHM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC1 ZINC000508862163 567770400 /nfs/dbraw/zinc/77/04/00/567770400.db2.gz WDSZBQYWCIHDJV-UHFFFAOYSA-N -1 3 385.791 3.123 20 0 GGADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000462100673 567771095 /nfs/dbraw/zinc/77/10/95/567771095.db2.gz HBIQMEKVNBLHNJ-NSHDSACASA-N -1 3 393.408 3.002 20 0 GGADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC ZINC000508873596 567771322 /nfs/dbraw/zinc/77/13/22/567771322.db2.gz OXQAGBFWASVWOZ-PRHODGIISA-N -1 3 387.807 3.225 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c(C)cn1 ZINC000555140317 567772101 /nfs/dbraw/zinc/77/21/01/567772101.db2.gz VIPDGKSQOHQHMY-UHFFFAOYSA-N -1 3 375.675 3.337 20 0 GGADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462103008 567772217 /nfs/dbraw/zinc/77/22/17/567772217.db2.gz DDDIVMIVSPHMLM-GFCCVEGCSA-N -1 3 379.425 3.303 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000462104267 567772626 /nfs/dbraw/zinc/77/26/26/567772626.db2.gz SPUQOFFNSIBVMJ-CYBMUJFWSA-N -1 3 392.468 3.218 20 0 GGADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443722894 567772836 /nfs/dbraw/zinc/77/28/36/567772836.db2.gz JTIMZDJRDAYOCR-UHFFFAOYSA-N -1 3 389.882 3.065 20 0 GGADHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1ccc(C(F)(F)F)s1 ZINC000462100977 567772819 /nfs/dbraw/zinc/77/28/19/567772819.db2.gz XDZASHYWUNZSII-UHFFFAOYSA-N -1 3 397.371 3.251 20 0 GGADHM O=C(CC1(O)CCCC1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000533513354 567773081 /nfs/dbraw/zinc/77/30/81/567773081.db2.gz WIGBKVYKXCLBNQ-UHFFFAOYSA-N -1 3 382.233 3.034 20 0 GGADHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)(F)F)s1 ZINC000462105878 567773501 /nfs/dbraw/zinc/77/35/01/567773501.db2.gz QGUPTIACEHKXQB-CYBMUJFWSA-N -1 3 390.452 3.320 20 0 GGADHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)(F)F)s1 ZINC000462105879 567773832 /nfs/dbraw/zinc/77/38/32/567773832.db2.gz QGUPTIACEHKXQB-ZDUSSCGKSA-N -1 3 390.452 3.320 20 0 GGADHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000533547485 567773880 /nfs/dbraw/zinc/77/38/80/567773880.db2.gz WCTQSGCUZLFEPX-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443756210 567774742 /nfs/dbraw/zinc/77/47/42/567774742.db2.gz JRJUNLCCTBPGDD-SNVBAGLBSA-N -1 3 389.702 3.407 20 0 GGADHM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1ccc(C(F)(F)F)s1 ZINC000462113857 567774922 /nfs/dbraw/zinc/77/49/22/567774922.db2.gz YJIKCBVRXJHJNI-UHFFFAOYSA-N -1 3 390.452 3.104 20 0 GGADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443777331 567775882 /nfs/dbraw/zinc/77/58/82/567775882.db2.gz YQMUVZZIKQUJCI-LLVKDONJSA-N -1 3 398.750 3.426 20 0 GGADHM O=S(=O)([N-]CCNCc1ccc(Cl)c(F)c1)c1ccc(Cl)s1 ZINC000533562617 567775856 /nfs/dbraw/zinc/77/58/56/567775856.db2.gz LOGYAKYXSSTZKM-UHFFFAOYSA-N -1 3 383.297 3.262 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000533577885 567776670 /nfs/dbraw/zinc/77/66/70/567776670.db2.gz PDGMWWZVRUGXDY-ZWNOBZJWSA-N -1 3 383.853 3.322 20 0 GGADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647270043 567776945 /nfs/dbraw/zinc/77/69/45/567776945.db2.gz KMSQMWFFQQSRKA-UHFFFAOYSA-N -1 3 378.679 3.384 20 0 GGADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000533577883 567776887 /nfs/dbraw/zinc/77/68/87/567776887.db2.gz PDGMWWZVRUGXDY-MFKMUULPSA-N -1 3 383.853 3.322 20 0 GGADHM C[C@H]1CCCN(C(=O)C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)C1 ZINC000555276228 567777083 /nfs/dbraw/zinc/77/70/83/567777083.db2.gz GZFOKAHTOOPQOV-JTQLQIEISA-N -1 3 381.263 3.002 20 0 GGADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(-c2ccccc2)ns1 ZINC000443873334 567778154 /nfs/dbraw/zinc/77/81/54/567778154.db2.gz BYRBRILWRUDRDG-UHFFFAOYSA-N -1 3 393.515 3.374 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CCOCC2)s1 ZINC000533633455 567778578 /nfs/dbraw/zinc/77/85/78/567778578.db2.gz VXMSEFKFYCSLLN-UHFFFAOYSA-N -1 3 386.926 3.132 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Br)cc1)c1cncc(Cl)c1 ZINC000533632944 567778785 /nfs/dbraw/zinc/77/87/85/567778785.db2.gz NLQOUIIGYRPHEH-UHFFFAOYSA-N -1 3 375.675 3.019 20 0 GGADHM O=S(=O)([N-]CCc1cc(Br)ccc1F)c1cncc(Cl)c1 ZINC000533633588 567779022 /nfs/dbraw/zinc/77/90/22/567779022.db2.gz PUYQUFMFFNOEOT-UHFFFAOYSA-N -1 3 393.665 3.158 20 0 GGADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000533633005 567779204 /nfs/dbraw/zinc/77/92/04/567779204.db2.gz QGMNHTRVMKHBFF-HNNXBMFYSA-N -1 3 385.942 3.220 20 0 GGADHM Cc1cc(CNCc2cc(Br)c([O-])c(Br)c2)n[nH]1 ZINC000667874634 567779464 /nfs/dbraw/zinc/77/94/64/567779464.db2.gz LBQDMXFRTMPZDR-UHFFFAOYSA-N -1 3 375.064 3.239 20 0 GGADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000533639157 567779722 /nfs/dbraw/zinc/77/97/22/567779722.db2.gz TURQJWHFVRLLKV-BMIGLBTASA-N -1 3 375.277 3.443 20 0 GGADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000533635044 567779845 /nfs/dbraw/zinc/77/98/45/567779845.db2.gz GRDJPALNPGSIMB-AWEZNQCLSA-N -1 3 379.913 3.239 20 0 GGADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1c2ccccc2O[C@H]1C ZINC000574479927 567780114 /nfs/dbraw/zinc/78/01/14/567780114.db2.gz AABQSDKMNNEOGF-MGPLVRAMSA-N -1 3 398.278 3.258 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F)c1C ZINC000443934810 567780495 /nfs/dbraw/zinc/78/04/95/567780495.db2.gz LWUZJDAAQJCEDH-ISVAXAHUSA-N -1 3 384.420 3.064 20 0 GGADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F)c1C ZINC000443934811 567780553 /nfs/dbraw/zinc/78/05/53/567780553.db2.gz LWUZJDAAQJCEDH-OQPBUACISA-N -1 3 384.420 3.064 20 0 GGADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F ZINC000443924294 567780590 /nfs/dbraw/zinc/78/05/90/567780590.db2.gz DJZNZQIHJBESDR-NHYWBVRUSA-N -1 3 378.416 3.069 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@]3(O)CCCC3(C)C)s2)cs1 ZINC000555380962 567780743 /nfs/dbraw/zinc/78/07/43/567780743.db2.gz NHRQLVKUFFBVJS-MRXNPFEDSA-N -1 3 386.564 3.400 20 0 GGADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000555385495 567780985 /nfs/dbraw/zinc/78/09/85/567780985.db2.gz FXUYNRKJTFKTOC-CQSZACIVSA-N -1 3 396.734 3.322 20 0 GGADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@]3(O)CCCC3(C)C)s2)cs1 ZINC000555380961 567781260 /nfs/dbraw/zinc/78/12/60/567781260.db2.gz NHRQLVKUFFBVJS-INIZCTEOSA-N -1 3 386.564 3.400 20 0 GGADHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000555413576 567782426 /nfs/dbraw/zinc/78/24/26/567782426.db2.gz UCKORCIFQADYLY-UHFFFAOYSA-N -1 3 375.675 3.284 20 0 GGADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)s1 ZINC000555406760 567782609 /nfs/dbraw/zinc/78/26/09/567782609.db2.gz AOWSCXJODHLCTF-UHFFFAOYSA-N -1 3 379.276 3.086 20 0 GGADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)s1 ZINC000555414234 567782879 /nfs/dbraw/zinc/78/28/79/567782879.db2.gz GVNTYRLVWZBNST-UHFFFAOYSA-N -1 3 383.491 3.065 20 0 GGADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)s1 ZINC000555414671 567783042 /nfs/dbraw/zinc/78/30/42/567783042.db2.gz BOQFGKXBEMHFBP-GFCCVEGCSA-N -1 3 396.372 3.286 20 0 GGADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cc(F)cc(Cl)c1 ZINC000533699295 567783140 /nfs/dbraw/zinc/78/31/40/567783140.db2.gz KRAZLFGJZGOPFJ-UHFFFAOYSA-N -1 3 383.857 3.476 20 0 GGADHM Oc1[n-]c(N2CC[C@@H](Sc3ccc(Br)cc3)C2)nc2nncc1-2 ZINC000624474457 567783187 /nfs/dbraw/zinc/78/31/87/567783187.db2.gz ISERTGHWVWGWHP-LLVKDONJSA-N -1 3 392.282 3.192 20 0 GGADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2sc(C)nc2C)N(C)C)cc1 ZINC000555474905 567785892 /nfs/dbraw/zinc/78/58/92/567785892.db2.gz WXVQNMZJTSBFHG-HNNXBMFYSA-N -1 3 385.580 3.063 20 0 GGADHM CC[C@H](NCc1cc(Br)cc(Br)c1OC)C(=O)[O-] ZINC000647466300 567786818 /nfs/dbraw/zinc/78/68/18/567786818.db2.gz RLGTUOIPOALETE-JTQLQIEISA-N -1 3 381.064 3.173 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccsc1 ZINC000444055868 567786788 /nfs/dbraw/zinc/78/67/88/567786788.db2.gz IKBNEIFPZUFVNF-CYBMUJFWSA-N -1 3 396.431 3.487 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccsc1 ZINC000444055871 567787022 /nfs/dbraw/zinc/78/70/22/567787022.db2.gz IKBNEIFPZUFVNF-ZDUSSCGKSA-N -1 3 396.431 3.487 20 0 GGADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000533800081 567787321 /nfs/dbraw/zinc/78/73/21/567787321.db2.gz KKOSQAUGKHRUIF-VIFPVBQESA-N -1 3 387.832 3.455 20 0 GGADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1F ZINC000444070465 567788583 /nfs/dbraw/zinc/78/85/83/567788583.db2.gz ALSYBKIHJOKBRW-UHFFFAOYSA-N -1 3 377.359 3.461 20 0 GGADHM O=C(NC[C@@H]1CC12CC2)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000668016322 567788931 /nfs/dbraw/zinc/78/89/31/567788931.db2.gz IXUXAYFYUYCFQR-ZDUSSCGKSA-N -1 3 382.551 3.279 20 0 GGADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444069980 567788885 /nfs/dbraw/zinc/78/88/85/567788885.db2.gz GNULRMZAAIQVRG-UHFFFAOYSA-N -1 3 380.363 3.436 20 0 GGADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000444074291 567789722 /nfs/dbraw/zinc/78/97/22/567789722.db2.gz RMXLIXYZKFBBBQ-DYVFJYSZSA-N -1 3 379.503 3.237 20 0 GGADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574649662 567790359 /nfs/dbraw/zinc/79/03/59/567790359.db2.gz YNPWRXLWQVQQDH-UHFFFAOYSA-N -1 3 380.217 3.233 20 0 GGADHM CSc1cccc([C@@H]([N-]S(=O)(=O)C2COC2)c2ccc(F)c(F)c2)c1 ZINC000555579337 567790439 /nfs/dbraw/zinc/79/04/39/567790439.db2.gz ARRQDEYFLWHZGZ-QGZVFWFLSA-N -1 3 385.457 3.094 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)oc1C ZINC000574654800 567790762 /nfs/dbraw/zinc/79/07/62/567790762.db2.gz HTCBBURMXXPLDZ-HAQNSBGRSA-N -1 3 383.853 3.253 20 0 GGADHM COCCCOc1cccc(C[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000444085002 567790882 /nfs/dbraw/zinc/79/08/82/567790882.db2.gz ODPJQBAIZJETSE-UHFFFAOYSA-N -1 3 381.519 3.302 20 0 GGADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444077080 567790911 /nfs/dbraw/zinc/79/09/11/567790911.db2.gz WITMQFVTQBPRRF-LLVKDONJSA-N -1 3 378.391 3.483 20 0 GGADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)s1 ZINC000444077832 567791365 /nfs/dbraw/zinc/79/13/65/567791365.db2.gz SNUYNXVNOMQKMI-UHFFFAOYSA-N -1 3 382.404 3.439 20 0 GGADHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444091515 567791911 /nfs/dbraw/zinc/79/19/11/567791911.db2.gz PWQUDCPGHQNKJV-ZYHUDNBSSA-N -1 3 392.315 3.323 20 0 GGADHM COc1cc(S(=O)(=O)[N-]CC2(C)CCCC2)c(OC)cc1Br ZINC000444085192 567792279 /nfs/dbraw/zinc/79/22/79/567792279.db2.gz CWFFJIVENPJPKN-UHFFFAOYSA-N -1 3 392.315 3.325 20 0 GGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(Br)cc1F ZINC000598824232 567792430 /nfs/dbraw/zinc/79/24/30/567792430.db2.gz BVYUHEPILJRCOQ-UHFFFAOYSA-N -1 3 399.216 3.497 20 0 GGADHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ncccn1 ZINC000574721374 567793267 /nfs/dbraw/zinc/79/32/67/567793267.db2.gz SUEUQXZEQKZBFR-UHFFFAOYSA-N -1 3 379.791 3.362 20 0 GGADHM CC(C)C[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000574712832 567793603 /nfs/dbraw/zinc/79/36/03/567793603.db2.gz YKJATSPBECSGQQ-NSHDSACASA-N -1 3 396.340 3.006 20 0 GGADHM CC1(CCS(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000574725316 567793719 /nfs/dbraw/zinc/79/37/19/567793719.db2.gz COSNGXYQEVJPKI-ZDUSSCGKSA-N -1 3 391.320 3.208 20 0 GGADHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cc(C)sn2)c(F)cc1F ZINC000444130772 567794095 /nfs/dbraw/zinc/79/40/95/567794095.db2.gz MJYFOCGQUDOJHY-UHFFFAOYSA-N -1 3 375.422 3.134 20 0 GGADHM O=S(=O)([N-]CCCCn1ccnc1)c1cc(Cl)ccc1Br ZINC000555677028 567794511 /nfs/dbraw/zinc/79/45/11/567794511.db2.gz DKFYPGBSAZLISK-UHFFFAOYSA-N -1 3 392.706 3.058 20 0 GGADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)ccc1N1CCOCC1 ZINC000533964476 567794780 /nfs/dbraw/zinc/79/47/80/567794780.db2.gz UOPMOUKZCJLVLA-UHFFFAOYSA-N -1 3 395.228 3.383 20 0 GGADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ns1 ZINC000444182328 567795564 /nfs/dbraw/zinc/79/55/64/567795564.db2.gz LCHOMAWVPZEWDF-UHFFFAOYSA-N -1 3 379.385 3.094 20 0 GGADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)n1 ZINC000668099078 567795790 /nfs/dbraw/zinc/79/57/90/567795790.db2.gz ZBXSXLMGRWHRKH-UHFFFAOYSA-N -1 3 396.270 3.432 20 0 GGADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCC1 ZINC000444205768 567797207 /nfs/dbraw/zinc/79/72/07/567797207.db2.gz OAMNQNHHZLOECJ-LLVKDONJSA-N -1 3 383.407 3.312 20 0 GGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000574788868 567797301 /nfs/dbraw/zinc/79/73/01/567797301.db2.gz FUYBWAZKDKEIIN-GHMZBOCLSA-N -1 3 376.906 3.410 20 0 GGADHM COc1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C2)c(OC)cc1Br ZINC000444204330 567797665 /nfs/dbraw/zinc/79/76/65/567797665.db2.gz HQWURBYMKJTXQT-JTQLQIEISA-N -1 3 392.315 3.323 20 0 GGADHM C[C@@H](NC(=O)c1ccc(Br)s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000647704538 567798350 /nfs/dbraw/zinc/79/83/50/567798350.db2.gz KRJRZMDCLQPPAX-RKDXNWHRSA-N -1 3 398.282 3.004 20 0 GGADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000668179006 567798836 /nfs/dbraw/zinc/79/88/36/567798836.db2.gz KCYOWRDFLFHCMB-UHFFFAOYSA-N -1 3 394.306 3.259 20 0 GGADHM CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000574815218 567799054 /nfs/dbraw/zinc/79/90/54/567799054.db2.gz QGJFBDONZGJFNE-LBPRGKRZSA-N -1 3 390.571 3.143 20 0 GGADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000534111794 567799715 /nfs/dbraw/zinc/79/97/15/567799715.db2.gz BYSMEJVSPVWVSE-NSHDSACASA-N -1 3 381.259 3.176 20 0 GGADHM O=C([N-]c1nnc2nc[nH]n12)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000647737573 567799853 /nfs/dbraw/zinc/79/98/53/567799853.db2.gz PGUOYQYEGYZVCB-UHFFFAOYSA-N -1 3 380.220 3.135 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000647738039 567799893 /nfs/dbraw/zinc/79/98/93/567799893.db2.gz SBFJTMSYYUMUJF-ZIAGYGMSSA-N -1 3 385.291 3.139 20 0 GGADHM COC(=O)Cc1cccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000574847681 567800368 /nfs/dbraw/zinc/80/03/68/567800368.db2.gz XGZJKJSLCWIQAR-CYBMUJFWSA-N -1 3 381.416 3.048 20 0 GGADHM COc1cc(OC)c(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)cc1Cl ZINC000668189183 567800375 /nfs/dbraw/zinc/80/03/75/567800375.db2.gz KGXXXLFJBJXDGJ-UHFFFAOYSA-N -1 3 375.796 3.367 20 0 GGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)c1Cl ZINC000668230020 567802540 /nfs/dbraw/zinc/80/25/40/567802540.db2.gz ZBFIGKGZXMYVMK-DGCLKSJQSA-N -1 3 391.320 3.042 20 0 GGADHM O=S(=O)([N-]CCCOCC(F)(F)F)c1cc(Cl)ccc1OC(F)F ZINC000574910095 567804292 /nfs/dbraw/zinc/80/42/92/567804292.db2.gz IUGRIXRWVNUAFB-UHFFFAOYSA-N -1 3 397.749 3.189 20 0 GGADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000534242778 567804635 /nfs/dbraw/zinc/80/46/35/567804635.db2.gz GXQKJNFTNHGADW-UHFFFAOYSA-N -1 3 387.429 3.171 20 0 GGADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000534241755 567804842 /nfs/dbraw/zinc/80/48/42/567804842.db2.gz LTMHZWDSTOTCGR-SECBINFHSA-N -1 3 397.913 3.184 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccsc1 ZINC000647895328 567804984 /nfs/dbraw/zinc/80/49/84/567804984.db2.gz QOXXDNKBVHIAEX-HNNXBMFYSA-N -1 3 393.559 3.453 20 0 GGADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCC2 ZINC000668268889 567805000 /nfs/dbraw/zinc/80/50/00/567805000.db2.gz OGKJUAKAEAMWIS-GHMZBOCLSA-N -1 3 380.329 3.055 20 0 GGADHM C[C@@H](O)CN(Cc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000668298515 567805483 /nfs/dbraw/zinc/80/54/83/567805483.db2.gz BASAKAUTAHHGPT-MRVPVSSYSA-N -1 3 379.092 3.262 20 0 GGADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000668341778 567807333 /nfs/dbraw/zinc/80/73/33/567807333.db2.gz ZAZMZCUNQCMIRL-VXGBXAGGSA-N -1 3 386.267 3.275 20 0 GGADHM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000534401436 567809951 /nfs/dbraw/zinc/80/99/51/567809951.db2.gz MJGOTCHELFWFCQ-UHFFFAOYSA-N -1 3 381.475 3.151 20 0 GGADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(F)cc(Cl)c1 ZINC000534424621 567811286 /nfs/dbraw/zinc/81/12/86/567811286.db2.gz WBYGNOZUKZIECQ-UHFFFAOYSA-N -1 3 383.807 3.282 20 0 GGADHM C[C@@H](OCC1CC1)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000599268878 567811587 /nfs/dbraw/zinc/81/15/87/567811587.db2.gz JAASGCDEIZUVJB-MRVPVSSYSA-N -1 3 383.221 3.127 20 0 GGADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000534453214 567812157 /nfs/dbraw/zinc/81/21/57/567812157.db2.gz YWSBOSJXTGTTEF-WDEREUQCSA-N -1 3 378.416 3.243 20 0 GGADHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000534531782 567813559 /nfs/dbraw/zinc/81/35/59/567813559.db2.gz YYZCWVMRMHAYLQ-OAHLLOKOSA-N -1 3 399.285 3.053 20 0 GGADHM CC(C)n1cnc(S(=O)(=O)[N-]C(C)(C)c2ccccc2Br)c1 ZINC000534564955 567814695 /nfs/dbraw/zinc/81/46/95/567814695.db2.gz NYKJTVCIFCIBAO-UHFFFAOYSA-N -1 3 386.315 3.440 20 0 GGADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1ccccc1OC(F)F ZINC000534617542 567814949 /nfs/dbraw/zinc/81/49/49/567814949.db2.gz SBHAGNQEHWCTEB-UHFFFAOYSA-N -1 3 377.752 3.471 20 0 GGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1O ZINC000534603383 567815200 /nfs/dbraw/zinc/81/52/00/567815200.db2.gz JESNRRMLUSHHQF-DOTOQJQBSA-N -1 3 377.849 3.331 20 0 GGADHM O=S(=O)([N-][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000534629530 567815365 /nfs/dbraw/zinc/81/53/65/567815365.db2.gz IJIJCRFLZRWPIR-JTQLQIEISA-N -1 3 385.816 3.432 20 0 GGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)c1Cl ZINC000534629522 567815371 /nfs/dbraw/zinc/81/53/71/567815371.db2.gz ICAVZEHYVUUKDR-UHFFFAOYSA-N -1 3 393.336 3.404 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)c(C)c2)C2CC2)s1 ZINC000534630117 567815428 /nfs/dbraw/zinc/81/54/28/567815428.db2.gz HKKTUOFJCJABCN-INIZCTEOSA-N -1 3 383.466 3.412 20 0 GGADHM CC1(C)CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)(C(N)=O)CC1 ZINC000534628028 567815440 /nfs/dbraw/zinc/81/54/40/567815440.db2.gz CNTQGOHAYFPOGT-UHFFFAOYSA-N -1 3 379.309 3.096 20 0 GGADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000534632326 567815503 /nfs/dbraw/zinc/81/55/03/567815503.db2.gz ZMVSMUMEJNDUPA-UHFFFAOYSA-N -1 3 383.466 3.031 20 0 GGADHM O=C(CSc1nc2ccccc2[nH]1)NCc1ccc([O-])c(Br)c1 ZINC000534663220 567815764 /nfs/dbraw/zinc/81/57/64/567815764.db2.gz XOJHNQPYPJKBTE-UHFFFAOYSA-N -1 3 392.278 3.440 20 0 GGADHM CCc1ccccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048246174 570222997 /nfs/dbraw/zinc/22/29/97/570222997.db2.gz WPDLEUFPPZJUJF-UHFFFAOYSA-N -1 3 376.478 3.417 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000048230323 570223752 /nfs/dbraw/zinc/22/37/52/570223752.db2.gz LCHXPXKJXTXLMQ-OKILXGFUSA-N -1 3 394.468 3.249 20 0 GGADHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)OCc1cccc(C(F)(F)F)c1 ZINC000020892262 570283675 /nfs/dbraw/zinc/28/36/75/570283675.db2.gz UAKNUYHKYIQSFW-MDZDMXLPSA-N -1 3 399.390 3.339 20 0 GGADHM O=c1[n-]c(SCCOc2ccccc2F)nc2c1cnn2-c1ccccc1 ZINC000022312736 570312993 /nfs/dbraw/zinc/31/29/93/570312993.db2.gz VUESLMMVWPIAIH-UHFFFAOYSA-N -1 3 382.420 3.419 20 0 GGADHM CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000023078724 570343081 /nfs/dbraw/zinc/34/30/81/570343081.db2.gz BISYMDAPBHVCGT-YJBOKZPZSA-N -1 3 392.496 3.020 20 0 GGADHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000024484427 570384838 /nfs/dbraw/zinc/38/48/38/570384838.db2.gz RHFFGCMGUDVHJD-UHFFFAOYSA-N -1 3 387.379 3.013 20 0 GGADHM Cc1cc(C)cc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)c1 ZINC000026533622 570426450 /nfs/dbraw/zinc/42/64/50/570426450.db2.gz DIZKGKHEAKCKCK-SFHVURJKSA-N -1 3 378.469 3.384 20 0 GGADHM COCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2CCC1=O ZINC000022688445 570526939 /nfs/dbraw/zinc/52/69/39/570526939.db2.gz SVGISEWKEZHPHL-UHFFFAOYSA-N -1 3 388.489 3.030 20 0 GGADHM CSc1nc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c2ccccn12 ZINC000225432233 570573811 /nfs/dbraw/zinc/57/38/11/570573811.db2.gz RYXROVAZKRJCMX-UHFFFAOYSA-N -1 3 392.440 3.334 20 0 GGADHM CC(C)c1noc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000032788799 570810428 /nfs/dbraw/zinc/81/04/28/570810428.db2.gz ZZLVNYSBGGQTIU-NSHDSACASA-N -1 3 382.449 3.469 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCc4cc(C)ccc43)nc(=O)c2c1C ZINC000007487986 570850964 /nfs/dbraw/zinc/85/09/64/570850964.db2.gz SKCFQYGUVQUWJN-UHFFFAOYSA-N -1 3 383.473 3.341 20 0 GGADHM CCc1nsc(N2CCCN(C(=O)c3c[n-]c4ccc(C)cc4c3=O)CC2)n1 ZINC000170594501 570851885 /nfs/dbraw/zinc/85/18/85/570851885.db2.gz UTZNATHUVCYGPY-UHFFFAOYSA-N -1 3 397.504 3.015 20 0 GGADHM C[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1nc(C(C)(C)C)no1 ZINC000170600271 570858335 /nfs/dbraw/zinc/85/83/35/570858335.db2.gz SDBRSCUBLXXUFQ-QMMMGPOBSA-N -1 3 376.363 3.390 20 0 GGADHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c(=O)[n-]1 ZINC000042364349 570890248 /nfs/dbraw/zinc/89/02/48/570890248.db2.gz ZZUJQSKHZUJJGK-UHFFFAOYSA-N -1 3 379.382 3.139 20 0 GGADHM Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3CC(C)C)c1 ZINC000032032350 570934953 /nfs/dbraw/zinc/93/49/53/570934953.db2.gz KLAUEQWVEBEBCJ-UHFFFAOYSA-N -1 3 392.459 3.179 20 0 GGADHM COc1cccc(CNC(=O)c2sccc2-c2nnn[n-]2)c1OC1CCCC1 ZINC000737133012 598823434 /nfs/dbraw/zinc/82/34/34/598823434.db2.gz VDGCANOFWVEMRB-UHFFFAOYSA-N -1 3 399.476 3.188 20 0 GGADHM COc1cccc(CNC(=O)c2sccc2-c2nn[n-]n2)c1OC1CCCC1 ZINC000737133012 598823436 /nfs/dbraw/zinc/82/34/36/598823436.db2.gz VDGCANOFWVEMRB-UHFFFAOYSA-N -1 3 399.476 3.188 20 0 GGADHM O[C@@H]1CCCC[C@@H]1CCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823707075 607252485 /nfs/dbraw/zinc/25/24/85/607252485.db2.gz WEVDZDQJAIUCLC-IAQYHMDHSA-N -1 3 394.932 3.138 20 0 GGADHM O[C@@H]1CCCC[C@@H]1CCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823707075 607252486 /nfs/dbraw/zinc/25/24/86/607252486.db2.gz WEVDZDQJAIUCLC-IAQYHMDHSA-N -1 3 394.932 3.138 20 0 GGADHM CCc1csc([C@H]2CCCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC000736701348 598825384 /nfs/dbraw/zinc/82/53/84/598825384.db2.gz ACPZYSXJIJQQMA-FEAKQIBJSA-N -1 3 394.504 3.305 20 0 GGADHM CCc1csc([C@H]2CCCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC000736701348 598825386 /nfs/dbraw/zinc/82/53/86/598825386.db2.gz ACPZYSXJIJQQMA-FEAKQIBJSA-N -1 3 394.504 3.305 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000736178632 598826701 /nfs/dbraw/zinc/82/67/01/598826701.db2.gz BGAUZWVDGMCTFB-AOMKIAJQSA-N -1 3 391.475 3.214 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000736178632 598826703 /nfs/dbraw/zinc/82/67/03/598826703.db2.gz BGAUZWVDGMCTFB-AOMKIAJQSA-N -1 3 391.475 3.214 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000737383479 598830063 /nfs/dbraw/zinc/83/00/63/598830063.db2.gz AGRQMELMHMCGIN-OAHLLOKOSA-N -1 3 381.505 3.328 20 0 GGADHM Cc1cccc([C@@H](C)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000737383479 598830064 /nfs/dbraw/zinc/83/00/64/598830064.db2.gz AGRQMELMHMCGIN-OAHLLOKOSA-N -1 3 381.505 3.328 20 0 GGADHM Cc1ccc(C)c(N(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000737322803 598832236 /nfs/dbraw/zinc/83/22/36/598832236.db2.gz OPEVOVFPUABSOZ-UHFFFAOYSA-N -1 3 378.480 3.015 20 0 GGADHM Cc1ccc(C)c(N(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000737322803 598832238 /nfs/dbraw/zinc/83/22/38/598832238.db2.gz OPEVOVFPUABSOZ-UHFFFAOYSA-N -1 3 378.480 3.015 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000737222283 598834929 /nfs/dbraw/zinc/83/49/29/598834929.db2.gz WGSZUCSBSYLFLO-UHFFFAOYSA-N -1 3 398.366 3.103 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000737222283 598834927 /nfs/dbraw/zinc/83/49/27/598834927.db2.gz WGSZUCSBSYLFLO-UHFFFAOYSA-N -1 3 398.366 3.103 20 0 GGADHM C[C@H](Nc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736138690 598835867 /nfs/dbraw/zinc/83/58/67/598835867.db2.gz NWAVJLHWHCGISJ-JTQLQIEISA-N -1 3 381.827 3.441 20 0 GGADHM C[C@H](Nc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736138690 598835868 /nfs/dbraw/zinc/83/58/68/598835868.db2.gz NWAVJLHWHCGISJ-JTQLQIEISA-N -1 3 381.827 3.441 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(c2cccc(Cl)c2)CC1 ZINC000737804157 598836255 /nfs/dbraw/zinc/83/62/55/598836255.db2.gz YPJNUGKBXKZZDC-CMDGGOBGSA-N -1 3 379.851 3.381 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(c2cccc(Cl)c2)CC1 ZINC000737804157 598836257 /nfs/dbraw/zinc/83/62/57/598836257.db2.gz YPJNUGKBXKZZDC-CMDGGOBGSA-N -1 3 379.851 3.381 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CC2(CC2)c2ccccc21 ZINC000737930608 598836365 /nfs/dbraw/zinc/83/63/65/598836365.db2.gz CNCGULCVIOWVFM-UHFFFAOYSA-N -1 3 377.473 3.178 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CC2(CC2)c2ccccc21 ZINC000737930608 598836367 /nfs/dbraw/zinc/83/63/67/598836367.db2.gz CNCGULCVIOWVFM-UHFFFAOYSA-N -1 3 377.473 3.178 20 0 GGADHM c1sc(COc2ccccc2)nc1CNCc1ccc(-c2nnn[n-]2)cc1 ZINC000738434610 598838042 /nfs/dbraw/zinc/83/80/42/598838042.db2.gz GAEVHPALUYLCHH-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM c1sc(COc2ccccc2)nc1CNCc1ccc(-c2nn[n-]n2)cc1 ZINC000738434610 598838043 /nfs/dbraw/zinc/83/80/43/598838043.db2.gz GAEVHPALUYLCHH-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM C[C@H](NC(=O)NCCc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119856 598838619 /nfs/dbraw/zinc/83/86/19/598838619.db2.gz WAHRRZWBQPMMQO-NSHDSACASA-N -1 3 388.834 3.262 20 0 GGADHM C[C@H](NC(=O)NCCc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119856 598838620 /nfs/dbraw/zinc/83/86/20/598838620.db2.gz WAHRRZWBQPMMQO-NSHDSACASA-N -1 3 388.834 3.262 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@@H](C)OCCC(C)C)c1C ZINC000737503603 598840501 /nfs/dbraw/zinc/84/05/01/598840501.db2.gz PZGONOQHDKYDLB-OAHLLOKOSA-N -1 3 397.483 3.059 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cc(Cl)nc(Cl)c1 ZINC000737946410 598845433 /nfs/dbraw/zinc/84/54/33/598845433.db2.gz FLUBKSUHRIXSGD-UHFFFAOYSA-N -1 3 396.259 3.404 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)nc(Cl)c1 ZINC000737946410 598845434 /nfs/dbraw/zinc/84/54/34/598845434.db2.gz FLUBKSUHRIXSGD-UHFFFAOYSA-N -1 3 396.259 3.404 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCc2sccc2[C@@H]1C ZINC000737523159 598850490 /nfs/dbraw/zinc/85/04/90/598850490.db2.gz HDRILKYLDBJZDK-LBPRGKRZSA-N -1 3 392.492 3.072 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCc2sccc2[C@@H]1C ZINC000737523159 598850492 /nfs/dbraw/zinc/85/04/92/598850492.db2.gz HDRILKYLDBJZDK-LBPRGKRZSA-N -1 3 392.492 3.072 20 0 GGADHM COc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737104678 598852477 /nfs/dbraw/zinc/85/24/77/598852477.db2.gz SYGXTIDMFRPZNC-UHFFFAOYSA-N -1 3 376.323 3.121 20 0 GGADHM COc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737104678 598852478 /nfs/dbraw/zinc/85/24/78/598852478.db2.gz SYGXTIDMFRPZNC-UHFFFAOYSA-N -1 3 376.323 3.121 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCSCC1 ZINC000735830996 598853523 /nfs/dbraw/zinc/85/35/23/598853523.db2.gz KYIOSJARFAKUTJ-UHFFFAOYSA-N -1 3 388.541 3.178 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCSCC1 ZINC000735830996 598853524 /nfs/dbraw/zinc/85/35/24/598853524.db2.gz KYIOSJARFAKUTJ-UHFFFAOYSA-N -1 3 388.541 3.178 20 0 GGADHM Cc1cc(NC[C@H](O)c2ccsc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273599 598854013 /nfs/dbraw/zinc/85/40/13/598854013.db2.gz GPAMKPJQMUYYNQ-HNNXBMFYSA-N -1 3 391.460 3.183 20 0 GGADHM Cc1cc(NC[C@H](O)c2ccsc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273599 598854015 /nfs/dbraw/zinc/85/40/15/598854015.db2.gz GPAMKPJQMUYYNQ-HNNXBMFYSA-N -1 3 391.460 3.183 20 0 GGADHM CC(C)(C)OC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735633724 598856564 /nfs/dbraw/zinc/85/65/64/598856564.db2.gz QUDYPWQRDWFMBY-UHFFFAOYSA-N -1 3 376.436 3.254 20 0 GGADHM Fc1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)cc3Cl)n2)cc1F ZINC000737647230 598858850 /nfs/dbraw/zinc/85/88/50/598858850.db2.gz DCSPDVJFZUOGBO-UHFFFAOYSA-N -1 3 390.737 3.427 20 0 GGADHM Fc1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1F ZINC000737647230 598858851 /nfs/dbraw/zinc/85/88/51/598858851.db2.gz DCSPDVJFZUOGBO-UHFFFAOYSA-N -1 3 390.737 3.427 20 0 GGADHM CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735652650 598866754 /nfs/dbraw/zinc/86/67/54/598866754.db2.gz PSZSOROKVXRYNU-UHFFFAOYSA-N -1 3 376.413 3.071 20 0 GGADHM CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735652650 598866755 /nfs/dbraw/zinc/86/67/55/598866755.db2.gz PSZSOROKVXRYNU-UHFFFAOYSA-N -1 3 376.413 3.071 20 0 GGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736329213 598866934 /nfs/dbraw/zinc/86/69/34/598866934.db2.gz RZMAGQCSSMMQIY-LLVKDONJSA-N -1 3 376.413 3.287 20 0 GGADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736329213 598866936 /nfs/dbraw/zinc/86/69/36/598866936.db2.gz RZMAGQCSSMMQIY-LLVKDONJSA-N -1 3 376.413 3.287 20 0 GGADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738162383 598867740 /nfs/dbraw/zinc/86/77/40/598867740.db2.gz CRFOOSVQBFRWRL-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738162383 598867741 /nfs/dbraw/zinc/86/77/41/598867741.db2.gz CRFOOSVQBFRWRL-UHFFFAOYSA-N -1 3 398.732 3.109 20 0 GGADHM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2[nH]1 ZINC000735787846 598868485 /nfs/dbraw/zinc/86/84/85/598868485.db2.gz MPBVDTORIRXLJH-QGZVFWFLSA-N -1 3 375.436 3.260 20 0 GGADHM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000735787846 598868486 /nfs/dbraw/zinc/86/84/86/598868486.db2.gz MPBVDTORIRXLJH-QGZVFWFLSA-N -1 3 375.436 3.260 20 0 GGADHM Cc1cc(Nc2ccc3c(c2)CC(=O)N3)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737279997 598869790 /nfs/dbraw/zinc/86/97/90/598869790.db2.gz IIFPSOSSLPANRG-UHFFFAOYSA-N -1 3 396.414 3.214 20 0 GGADHM Cc1cc(Nc2ccc3c(c2)CC(=O)N3)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737279997 598869791 /nfs/dbraw/zinc/86/97/91/598869791.db2.gz IIFPSOSSLPANRG-UHFFFAOYSA-N -1 3 396.414 3.214 20 0 GGADHM O=C(CNc1ccc(Oc2ccccn2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737900257 598872429 /nfs/dbraw/zinc/87/24/29/598872429.db2.gz YFVUSFQDFLLDKW-UHFFFAOYSA-N -1 3 387.403 3.105 20 0 GGADHM O=C(CNc1ccc(Oc2ccccn2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737900257 598872431 /nfs/dbraw/zinc/87/24/31/598872431.db2.gz YFVUSFQDFLLDKW-UHFFFAOYSA-N -1 3 387.403 3.105 20 0 GGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738076028 598877500 /nfs/dbraw/zinc/87/75/00/598877500.db2.gz PDBZZQTYIWOTOF-IBGZPJMESA-N -1 3 392.463 3.473 20 0 GGADHM O=C(NCCCO[C@H]1CCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738076028 598877502 /nfs/dbraw/zinc/87/75/02/598877502.db2.gz PDBZZQTYIWOTOF-IBGZPJMESA-N -1 3 392.463 3.473 20 0 GGADHM O=S(=O)(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccccc1 ZINC000738345965 598877905 /nfs/dbraw/zinc/87/79/05/598877905.db2.gz TVDROCGEOIVBCS-UHFFFAOYSA-N -1 3 397.485 3.074 20 0 GGADHM COC(=O)[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897465 598880056 /nfs/dbraw/zinc/88/00/56/598880056.db2.gz MWFSTSVRYATMTM-QGZVFWFLSA-N -1 3 390.403 3.212 20 0 GGADHM COC(=O)[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897465 598880057 /nfs/dbraw/zinc/88/00/57/598880057.db2.gz MWFSTSVRYATMTM-QGZVFWFLSA-N -1 3 390.403 3.212 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1OC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896037 598881557 /nfs/dbraw/zinc/88/15/57/598881557.db2.gz LQAOQFQJXWYGLQ-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1OC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896037 598881559 /nfs/dbraw/zinc/88/15/59/598881559.db2.gz LQAOQFQJXWYGLQ-LIRRHRJNSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@H](NCc1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900411 598882121 /nfs/dbraw/zinc/88/21/21/598882121.db2.gz XUQYGUHYOBLISV-QGZVFWFLSA-N -1 3 379.445 3.085 20 0 GGADHM COC(=O)[C@H](NCc1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900411 598882123 /nfs/dbraw/zinc/88/21/23/598882123.db2.gz XUQYGUHYOBLISV-QGZVFWFLSA-N -1 3 379.445 3.085 20 0 GGADHM COc1ccccc1[C@H](C)CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737142742 598882166 /nfs/dbraw/zinc/88/21/66/598882166.db2.gz PJUBKZFFDRRCBR-HUUCEWRRSA-N -1 3 396.447 3.380 20 0 GGADHM COc1ccccc1[C@H](C)CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737142742 598882168 /nfs/dbraw/zinc/88/21/68/598882168.db2.gz PJUBKZFFDRRCBR-HUUCEWRRSA-N -1 3 396.447 3.380 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ncoc1-c1ccccc1 ZINC000736036800 598882820 /nfs/dbraw/zinc/88/28/20/598882820.db2.gz AMPAMRBDIFQRPX-ZDUSSCGKSA-N -1 3 391.387 3.146 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ncoc1-c1ccccc1 ZINC000736036800 598882822 /nfs/dbraw/zinc/88/28/22/598882822.db2.gz AMPAMRBDIFQRPX-ZDUSSCGKSA-N -1 3 391.387 3.146 20 0 GGADHM CC(C)Oc1ccccc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000735913248 598882859 /nfs/dbraw/zinc/88/28/59/598882859.db2.gz LQCUEOQIRLCQKG-AWEZNQCLSA-N -1 3 382.420 3.278 20 0 GGADHM CC(C)Oc1ccccc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000735913248 598882861 /nfs/dbraw/zinc/88/28/61/598882861.db2.gz LQCUEOQIRLCQKG-AWEZNQCLSA-N -1 3 382.420 3.278 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899679 598883886 /nfs/dbraw/zinc/88/38/86/598883886.db2.gz YVPKTRJYFHGCJB-QLJPJBMISA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899679 598883887 /nfs/dbraw/zinc/88/38/87/598883887.db2.gz YVPKTRJYFHGCJB-QLJPJBMISA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@H](NCCCCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896964 598884538 /nfs/dbraw/zinc/88/45/38/598884538.db2.gz QESDQJNINFSXLZ-LJQANCHMSA-N -1 3 379.464 3.083 20 0 GGADHM COC(=O)[C@H](NCCCCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896964 598884539 /nfs/dbraw/zinc/88/45/39/598884539.db2.gz QESDQJNINFSXLZ-LJQANCHMSA-N -1 3 379.464 3.083 20 0 GGADHM CCn1cc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cn1 ZINC000736721837 598889287 /nfs/dbraw/zinc/88/92/87/598889287.db2.gz FBSXQYRMDAKMSC-UHFFFAOYSA-N -1 3 394.464 3.133 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1nccc2ccccc21 ZINC000736040930 598889466 /nfs/dbraw/zinc/88/94/66/598889466.db2.gz SIGPZKOYLMYLAL-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1nccc2ccccc21 ZINC000736040930 598889467 /nfs/dbraw/zinc/88/94/67/598889467.db2.gz SIGPZKOYLMYLAL-ZDUSSCGKSA-N -1 3 375.388 3.039 20 0 GGADHM C[C@H](NC(=O)NCCc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116135 598889472 /nfs/dbraw/zinc/88/94/72/598889472.db2.gz CPXBBAHHKBMLJG-ZDUSSCGKSA-N -1 3 376.420 3.216 20 0 GGADHM C[C@H](NC(=O)NCCc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116135 598889473 /nfs/dbraw/zinc/88/94/73/598889473.db2.gz CPXBBAHHKBMLJG-ZDUSSCGKSA-N -1 3 376.420 3.216 20 0 GGADHM Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737199845 598889778 /nfs/dbraw/zinc/88/97/78/598889778.db2.gz PSNFXZHOQJOXBG-CYBMUJFWSA-N -1 3 391.431 3.210 20 0 GGADHM Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737199845 598889780 /nfs/dbraw/zinc/88/97/80/598889780.db2.gz PSNFXZHOQJOXBG-CYBMUJFWSA-N -1 3 391.431 3.210 20 0 GGADHM Cc1ccccc1SCC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737431594 598890496 /nfs/dbraw/zinc/89/04/96/598890496.db2.gz KRGRUQYUKDCVCF-CQSZACIVSA-N -1 3 384.461 3.278 20 0 GGADHM Cc1ccccc1SCC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737431594 598890498 /nfs/dbraw/zinc/89/04/98/598890498.db2.gz KRGRUQYUKDCVCF-CQSZACIVSA-N -1 3 384.461 3.278 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C(=O)C(C)(C)C)cc1 ZINC000737031805 598896138 /nfs/dbraw/zinc/89/61/38/598896138.db2.gz FTUNFVXEHVYPIV-UHFFFAOYSA-N -1 3 395.419 3.221 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C(=O)C(C)(C)C)cc1 ZINC000737031805 598896139 /nfs/dbraw/zinc/89/61/39/598896139.db2.gz FTUNFVXEHVYPIV-UHFFFAOYSA-N -1 3 395.419 3.221 20 0 GGADHM Cc1nnc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1C1CC1 ZINC000737519540 598901078 /nfs/dbraw/zinc/90/10/78/598901078.db2.gz AAECBVVUHYXWQR-UHFFFAOYSA-N -1 3 390.476 3.456 20 0 GGADHM Cc1nnc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1C1CC1 ZINC000737519540 598901080 /nfs/dbraw/zinc/90/10/80/598901080.db2.gz AAECBVVUHYXWQR-UHFFFAOYSA-N -1 3 390.476 3.456 20 0 GGADHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)NC(C)(C)C ZINC000736193247 598901407 /nfs/dbraw/zinc/90/14/07/598901407.db2.gz QRCZQBIGUUQPJW-LBPRGKRZSA-N -1 3 382.493 3.324 20 0 GGADHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000736193247 598901408 /nfs/dbraw/zinc/90/14/08/598901408.db2.gz QRCZQBIGUUQPJW-LBPRGKRZSA-N -1 3 382.493 3.324 20 0 GGADHM CC(C)[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735708723 598901896 /nfs/dbraw/zinc/90/18/96/598901896.db2.gz OITGLCYJNNLCGM-CYBMUJFWSA-N -1 3 382.493 3.182 20 0 GGADHM CC(C)[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735708723 598901898 /nfs/dbraw/zinc/90/18/98/598901898.db2.gz OITGLCYJNNLCGM-CYBMUJFWSA-N -1 3 382.493 3.182 20 0 GGADHM COC(=O)[C@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896818 598901918 /nfs/dbraw/zinc/90/19/18/598901918.db2.gz CLKWUUNEKCKPJW-FVXMCEBTSA-N -1 3 392.415 3.118 20 0 GGADHM COC(=O)[C@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896818 598901920 /nfs/dbraw/zinc/90/19/20/598901920.db2.gz CLKWUUNEKCKPJW-FVXMCEBTSA-N -1 3 392.415 3.118 20 0 GGADHM Cc1ccc(OCc2cccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000737366492 598902075 /nfs/dbraw/zinc/90/20/75/598902075.db2.gz RIALCIGUDQACTO-UHFFFAOYSA-N -1 3 387.399 3.368 20 0 GGADHM Cc1ccc(OCc2cccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737366492 598902076 /nfs/dbraw/zinc/90/20/76/598902076.db2.gz RIALCIGUDQACTO-UHFFFAOYSA-N -1 3 387.399 3.368 20 0 GGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)NC1CCCC1 ZINC000737954241 598902863 /nfs/dbraw/zinc/90/28/63/598902863.db2.gz VZFXDSQCLVATAA-UHFFFAOYSA-N -1 3 380.477 3.080 20 0 GGADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)NC1CCCC1 ZINC000737954241 598902865 /nfs/dbraw/zinc/90/28/65/598902865.db2.gz VZFXDSQCLVATAA-UHFFFAOYSA-N -1 3 380.477 3.080 20 0 GGADHM COc1ccc(Cl)cc1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737098871 598906212 /nfs/dbraw/zinc/90/62/12/598906212.db2.gz GYAKQRPOSYNPPJ-UHFFFAOYSA-N -1 3 389.868 3.284 20 0 GGADHM COc1ccc(Cl)cc1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737098871 598906214 /nfs/dbraw/zinc/90/62/14/598906214.db2.gz GYAKQRPOSYNPPJ-UHFFFAOYSA-N -1 3 389.868 3.284 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736406099 598908279 /nfs/dbraw/zinc/90/82/79/598908279.db2.gz JABDJTDUWLXPGG-LIRRHRJNSA-N -1 3 377.448 3.170 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3Cc4cc(F)ccc4O3)c2-c2nnn[n-]2)C1 ZINC000736278560 598910953 /nfs/dbraw/zinc/91/09/53/598910953.db2.gz HBFKJNLYZDOZPY-YMTOWFKASA-N -1 3 399.451 3.134 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3Cc4cc(F)ccc4O3)c2-c2nn[n-]n2)C1 ZINC000736278560 598910955 /nfs/dbraw/zinc/91/09/55/598910955.db2.gz HBFKJNLYZDOZPY-YMTOWFKASA-N -1 3 399.451 3.134 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737188951 598911312 /nfs/dbraw/zinc/91/13/12/598911312.db2.gz ALUPEHSYQGLFRM-CHWSQXEVSA-N -1 3 383.477 3.233 20 0 GGADHM CSc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737188951 598911313 /nfs/dbraw/zinc/91/13/13/598911313.db2.gz ALUPEHSYQGLFRM-CHWSQXEVSA-N -1 3 383.477 3.233 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736230396 598911948 /nfs/dbraw/zinc/91/19/48/598911948.db2.gz TYBRHOPCOMSCGN-NWDGAFQWSA-N -1 3 383.481 3.176 20 0 GGADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736230396 598911950 /nfs/dbraw/zinc/91/19/50/598911950.db2.gz TYBRHOPCOMSCGN-NWDGAFQWSA-N -1 3 383.481 3.176 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000442941875 598918554 /nfs/dbraw/zinc/91/85/54/598918554.db2.gz GUJYBGKJBFXIFF-KRWDZBQOSA-N -1 3 393.900 3.031 20 0 GGADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000442941875 598918556 /nfs/dbraw/zinc/91/85/56/598918556.db2.gz GUJYBGKJBFXIFF-KRWDZBQOSA-N -1 3 393.900 3.031 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000737278352 598923737 /nfs/dbraw/zinc/92/37/37/598923737.db2.gz IMRFEVUOVKLUPQ-UHFFFAOYSA-N -1 3 384.339 3.334 20 0 GGADHM Cc1cc(OC(F)F)c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000737278352 598923739 /nfs/dbraw/zinc/92/37/39/598923739.db2.gz IMRFEVUOVKLUPQ-UHFFFAOYSA-N -1 3 384.339 3.334 20 0 GGADHM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737333078 598924954 /nfs/dbraw/zinc/92/49/54/598924954.db2.gz ZOLGNZXJMPLGTA-MOPGFXCFSA-N -1 3 378.432 3.433 20 0 GGADHM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737333078 598924956 /nfs/dbraw/zinc/92/49/56/598924956.db2.gz ZOLGNZXJMPLGTA-MOPGFXCFSA-N -1 3 378.432 3.433 20 0 GGADHM Cc1cccc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000737398699 598926173 /nfs/dbraw/zinc/92/61/73/598926173.db2.gz DPPOORPUUSBYAE-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM Cc1cccc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737398699 598926175 /nfs/dbraw/zinc/92/61/75/598926175.db2.gz DPPOORPUUSBYAE-UHFFFAOYSA-N -1 3 386.415 3.401 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)Cc1ccccc1F ZINC000735550582 598930168 /nfs/dbraw/zinc/93/01/68/598930168.db2.gz KIFMKAGTFCRDSS-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)Cc1ccccc1F ZINC000735550582 598930170 /nfs/dbraw/zinc/93/01/70/598930170.db2.gz KIFMKAGTFCRDSS-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736334542 598932001 /nfs/dbraw/zinc/93/20/01/598932001.db2.gz XAOYPFJWFCJTNL-SPLOXXLWSA-N -1 3 395.463 3.186 20 0 GGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736334542 598932002 /nfs/dbraw/zinc/93/20/02/598932002.db2.gz XAOYPFJWFCJTNL-SPLOXXLWSA-N -1 3 395.463 3.186 20 0 GGADHM COc1ccc(OC)c(CN(c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)c1 ZINC000737110440 598937564 /nfs/dbraw/zinc/93/75/64/598937564.db2.gz YUSRKXCWNHJHLB-UHFFFAOYSA-N -1 3 386.843 3.101 20 0 GGADHM COc1ccc(OC)c(CN(c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)c1 ZINC000737110440 598937565 /nfs/dbraw/zinc/93/75/65/598937565.db2.gz YUSRKXCWNHJHLB-UHFFFAOYSA-N -1 3 386.843 3.101 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000737564997 598938045 /nfs/dbraw/zinc/93/80/45/598938045.db2.gz UXBWKASXOCTWST-NSHDSACASA-N -1 3 381.827 3.440 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000737564997 598938046 /nfs/dbraw/zinc/93/80/46/598938046.db2.gz UXBWKASXOCTWST-NSHDSACASA-N -1 3 381.827 3.440 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738012636 598943277 /nfs/dbraw/zinc/94/32/77/598943277.db2.gz UCPAOFVAEKLWQJ-UHFFFAOYSA-N -1 3 384.237 3.048 20 0 GGADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738012636 598943278 /nfs/dbraw/zinc/94/32/78/598943278.db2.gz UCPAOFVAEKLWQJ-UHFFFAOYSA-N -1 3 384.237 3.048 20 0 GGADHM CCOC(=O)c1oc2ccccc2c1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000736606291 598941307 /nfs/dbraw/zinc/94/13/07/598941307.db2.gz YZTDBMFSZRRYLL-UHFFFAOYSA-N -1 3 392.419 3.414 20 0 GGADHM CCOC(=O)c1oc2ccccc2c1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000736606291 598941308 /nfs/dbraw/zinc/94/13/08/598941308.db2.gz YZTDBMFSZRRYLL-UHFFFAOYSA-N -1 3 392.419 3.414 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000737563801 598943049 /nfs/dbraw/zinc/94/30/49/598943049.db2.gz QLIHTHIKBKJRAW-UHFFFAOYSA-N -1 3 384.871 3.348 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000737563801 598943050 /nfs/dbraw/zinc/94/30/50/598943050.db2.gz QLIHTHIKBKJRAW-UHFFFAOYSA-N -1 3 384.871 3.348 20 0 GGADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736354225 598943894 /nfs/dbraw/zinc/94/38/94/598943894.db2.gz ZXKSRGAQBFTDOW-APPDUMDISA-N -1 3 387.390 3.180 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2nc(-c3cccc(Cl)c3)no2)n1 ZINC000737241490 598944280 /nfs/dbraw/zinc/94/42/80/598944280.db2.gz REHRCNHSJDIAGQ-UHFFFAOYSA-N -1 3 396.842 3.237 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000736186338 598944483 /nfs/dbraw/zinc/94/44/83/598944483.db2.gz YXKJELHFEUTGSS-LBPRGKRZSA-N -1 3 383.839 3.093 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000736186338 598944484 /nfs/dbraw/zinc/94/44/84/598944484.db2.gz YXKJELHFEUTGSS-LBPRGKRZSA-N -1 3 383.839 3.093 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000736168555 598944793 /nfs/dbraw/zinc/94/47/93/598944793.db2.gz IOOJCXXZJLXBQG-GFCCVEGCSA-N -1 3 383.839 3.093 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000736186457 598944855 /nfs/dbraw/zinc/94/48/55/598944855.db2.gz CEXNJFOYZPSIKP-GFCCVEGCSA-N -1 3 397.410 3.201 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000736186457 598944857 /nfs/dbraw/zinc/94/48/57/598944857.db2.gz CEXNJFOYZPSIKP-GFCCVEGCSA-N -1 3 397.410 3.201 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000736467398 598945209 /nfs/dbraw/zinc/94/52/09/598945209.db2.gz DUZKXBXQUMKKDD-QZTJIDSGSA-N -1 3 385.512 3.242 20 0 GGADHM CCCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000736467398 598945211 /nfs/dbraw/zinc/94/52/11/598945211.db2.gz DUZKXBXQUMKKDD-QZTJIDSGSA-N -1 3 385.512 3.242 20 0 GGADHM CCc1cc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)ccc1Cl ZINC000736676881 598948541 /nfs/dbraw/zinc/94/85/41/598948541.db2.gz HEZRDKHPOMBSQT-UHFFFAOYSA-N -1 3 378.841 3.159 20 0 GGADHM CCc1cc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)ccc1Cl ZINC000736676881 598948542 /nfs/dbraw/zinc/94/85/42/598948542.db2.gz HEZRDKHPOMBSQT-UHFFFAOYSA-N -1 3 378.841 3.159 20 0 GGADHM Cc1ccc(CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737338260 598953676 /nfs/dbraw/zinc/95/36/76/598953676.db2.gz ZLNKJVCWXODWGY-UHFFFAOYSA-N -1 3 376.464 3.087 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736229478 598951613 /nfs/dbraw/zinc/95/16/13/598951613.db2.gz QVUUAEDAQLGNEO-HUUCEWRRSA-N -1 3 377.448 3.316 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000737297323 598953198 /nfs/dbraw/zinc/95/31/98/598953198.db2.gz VDLIDVIAMUSDQU-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000737297323 598953199 /nfs/dbraw/zinc/95/31/99/598953199.db2.gz VDLIDVIAMUSDQU-GFCCVEGCSA-N -1 3 391.884 3.210 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000737299492 598953362 /nfs/dbraw/zinc/95/33/62/598953362.db2.gz QMSJRUHZRFARLY-GOSISDBHSA-N -1 3 397.504 3.481 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000737299492 598953364 /nfs/dbraw/zinc/95/33/64/598953364.db2.gz QMSJRUHZRFARLY-GOSISDBHSA-N -1 3 397.504 3.481 20 0 GGADHM c1cn(-c2cc(Nc3ccc(Oc4cccc(-c5nnn[n-]5)c4)cc3)ncn2)cn1 ZINC000738420764 598968279 /nfs/dbraw/zinc/96/82/79/598968279.db2.gz KQAXOVFNCYFKQB-UHFFFAOYSA-N -1 3 397.402 3.378 20 0 GGADHM c1cn(-c2cc(Nc3ccc(Oc4cccc(-c5nn[n-]n5)c4)cc3)ncn2)cn1 ZINC000738420764 598968280 /nfs/dbraw/zinc/96/82/80/598968280.db2.gz KQAXOVFNCYFKQB-UHFFFAOYSA-N -1 3 397.402 3.378 20 0 GGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736291699 598970318 /nfs/dbraw/zinc/97/03/18/598970318.db2.gz YBHITALHNSYBRR-SMDDNHRTSA-N -1 3 392.891 3.260 20 0 GGADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736291699 598970320 /nfs/dbraw/zinc/97/03/20/598970320.db2.gz YBHITALHNSYBRR-SMDDNHRTSA-N -1 3 392.891 3.260 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1cccc(C)c1 ZINC000736509670 598970547 /nfs/dbraw/zinc/97/05/47/598970547.db2.gz ZJXFSGSEZKIVQX-HNNXBMFYSA-N -1 3 385.493 3.088 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1cccc(C)c1 ZINC000736509670 598970549 /nfs/dbraw/zinc/97/05/49/598970549.db2.gz ZJXFSGSEZKIVQX-HNNXBMFYSA-N -1 3 385.493 3.088 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000736507569 598970886 /nfs/dbraw/zinc/97/08/86/598970886.db2.gz FZIZTJZPXBCRGQ-GFCCVEGCSA-N -1 3 391.884 3.292 20 0 GGADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000736507569 598970888 /nfs/dbraw/zinc/97/08/88/598970888.db2.gz FZIZTJZPXBCRGQ-GFCCVEGCSA-N -1 3 391.884 3.292 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000736509165 598971675 /nfs/dbraw/zinc/97/16/75/598971675.db2.gz TYDOVTVVQXGARB-LBPRGKRZSA-N -1 3 391.884 3.292 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000736509165 598971678 /nfs/dbraw/zinc/97/16/78/598971678.db2.gz TYDOVTVVQXGARB-LBPRGKRZSA-N -1 3 391.884 3.292 20 0 GGADHM Cc1cccc(NC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)c1 ZINC000737399119 598975695 /nfs/dbraw/zinc/97/56/95/598975695.db2.gz HWMCFKUQWPRFCB-UHFFFAOYSA-N -1 3 375.480 3.140 20 0 GGADHM Cc1cccc(NC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)c1 ZINC000737399119 598975696 /nfs/dbraw/zinc/97/56/96/598975696.db2.gz HWMCFKUQWPRFCB-UHFFFAOYSA-N -1 3 375.480 3.140 20 0 GGADHM O[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000738383045 598974620 /nfs/dbraw/zinc/97/46/20/598974620.db2.gz NBDLOWPUGQICMQ-LLVKDONJSA-N -1 3 384.749 3.079 20 0 GGADHM O[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000738383045 598974622 /nfs/dbraw/zinc/97/46/22/598974622.db2.gz NBDLOWPUGQICMQ-LLVKDONJSA-N -1 3 384.749 3.079 20 0 GGADHM OCC[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000738393965 598974796 /nfs/dbraw/zinc/97/47/96/598974796.db2.gz OUMDKOQDAPKRTM-CYBMUJFWSA-N -1 3 396.401 3.271 20 0 GGADHM OCC[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000738393965 598974798 /nfs/dbraw/zinc/97/47/98/598974798.db2.gz OUMDKOQDAPKRTM-CYBMUJFWSA-N -1 3 396.401 3.271 20 0 GGADHM Cc1ccnc(-c2ccc(NC(=S)Nc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000737437974 598978179 /nfs/dbraw/zinc/97/81/79/598978179.db2.gz WNTSYUHLBCYANH-UHFFFAOYSA-N -1 3 388.460 3.441 20 0 GGADHM Cc1ccnc(-c2ccc(NC(=S)Nc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000737437974 598978180 /nfs/dbraw/zinc/97/81/80/598978180.db2.gz WNTSYUHLBCYANH-UHFFFAOYSA-N -1 3 388.460 3.441 20 0 GGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737822508 598980726 /nfs/dbraw/zinc/98/07/26/598980726.db2.gz ZIHYJVVQXJKRJW-CQSZACIVSA-N -1 3 381.461 3.060 20 0 GGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737822508 598980728 /nfs/dbraw/zinc/98/07/28/598980728.db2.gz ZIHYJVVQXJKRJW-CQSZACIVSA-N -1 3 381.461 3.060 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000821000760 607256326 /nfs/dbraw/zinc/25/63/26/607256326.db2.gz IZURWUMNJWGOPX-MRXNPFEDSA-N -1 3 382.493 3.185 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000821000760 607256327 /nfs/dbraw/zinc/25/63/27/607256327.db2.gz IZURWUMNJWGOPX-MRXNPFEDSA-N -1 3 382.493 3.185 20 0 GGADHM O=C(C[C@@H]1OCCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737817524 598988305 /nfs/dbraw/zinc/98/83/05/598988305.db2.gz BADYJANDEWOLMO-FQEVSTJZSA-N -1 3 389.459 3.062 20 0 GGADHM O=C(C[C@@H]1OCCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737817524 598988306 /nfs/dbraw/zinc/98/83/06/598988306.db2.gz BADYJANDEWOLMO-FQEVSTJZSA-N -1 3 389.459 3.062 20 0 GGADHM COc1ccc(-c2cc(N(C)Cc3cc(-c4nn[n-]n4)ccc3F)n[nH]2)cc1 ZINC000737056512 598992313 /nfs/dbraw/zinc/99/23/13/598992313.db2.gz WREMECYFSKNUCA-UHFFFAOYSA-N -1 3 379.399 3.041 20 0 GGADHM CCCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736479251 598995369 /nfs/dbraw/zinc/99/53/69/598995369.db2.gz FZKSWYULASTECE-UHFFFAOYSA-N -1 3 385.493 3.084 20 0 GGADHM CCCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736479251 598995371 /nfs/dbraw/zinc/99/53/71/598995371.db2.gz FZKSWYULASTECE-UHFFFAOYSA-N -1 3 385.493 3.084 20 0 GGADHM CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736556772 598998655 /nfs/dbraw/zinc/99/86/55/598998655.db2.gz TVJJCNUIHKVILN-UHFFFAOYSA-N -1 3 391.884 3.039 20 0 GGADHM CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736556772 598998657 /nfs/dbraw/zinc/99/86/57/598998657.db2.gz TVJJCNUIHKVILN-UHFFFAOYSA-N -1 3 391.884 3.039 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736397353 599001394 /nfs/dbraw/zinc/00/13/94/599001394.db2.gz SCIVGERQVQJAJS-QGZVFWFLSA-N -1 3 385.493 3.337 20 0 GGADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736397353 599001396 /nfs/dbraw/zinc/00/13/96/599001396.db2.gz SCIVGERQVQJAJS-QGZVFWFLSA-N -1 3 385.493 3.337 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000737221751 599005085 /nfs/dbraw/zinc/00/50/85/599005085.db2.gz QDSDDBBXTDRLOO-SFHVURJKSA-N -1 3 385.493 3.193 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000737221751 599005087 /nfs/dbraw/zinc/00/50/87/599005087.db2.gz QDSDDBBXTDRLOO-SFHVURJKSA-N -1 3 385.493 3.193 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000737224204 599007029 /nfs/dbraw/zinc/00/70/29/599007029.db2.gz OUVYKZHCKVLTTJ-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000737224204 599007031 /nfs/dbraw/zinc/00/70/31/599007031.db2.gz OUVYKZHCKVLTTJ-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736181645 599008423 /nfs/dbraw/zinc/00/84/23/599008423.db2.gz LEXDATQDTXABQM-VYDXJSESSA-N -1 3 377.448 3.039 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736181645 599008426 /nfs/dbraw/zinc/00/84/26/599008426.db2.gz LEXDATQDTXABQM-VYDXJSESSA-N -1 3 377.448 3.039 20 0 GGADHM CCCCC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C(C)(C)C ZINC000736441032 599008857 /nfs/dbraw/zinc/00/88/57/599008857.db2.gz LYNMKPQSHHQYBP-KRWDZBQOSA-N -1 3 389.500 3.365 20 0 GGADHM CCCCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(C)(C)C ZINC000736441032 599008858 /nfs/dbraw/zinc/00/88/58/599008858.db2.gz LYNMKPQSHHQYBP-KRWDZBQOSA-N -1 3 389.500 3.365 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737435973 599008947 /nfs/dbraw/zinc/00/89/47/599008947.db2.gz PHGLQRSKSKPAOD-GOSISDBHSA-N -1 3 396.520 3.317 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737435973 599008949 /nfs/dbraw/zinc/00/89/49/599008949.db2.gz PHGLQRSKSKPAOD-GOSISDBHSA-N -1 3 396.520 3.317 20 0 GGADHM C[C@H](Nc1ccc(F)cc1OCC1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736140679 599009313 /nfs/dbraw/zinc/00/93/13/599009313.db2.gz ZDXVXVPAUSWMCQ-LBPRGKRZSA-N -1 3 396.426 3.234 20 0 GGADHM C[C@H](Nc1ccc(F)cc1OCC1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736140679 599009314 /nfs/dbraw/zinc/00/93/14/599009314.db2.gz ZDXVXVPAUSWMCQ-LBPRGKRZSA-N -1 3 396.426 3.234 20 0 GGADHM Cc1cccnc1[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737436024 599009408 /nfs/dbraw/zinc/00/94/08/599009408.db2.gz QAJLLNNWLATFAD-KRWDZBQOSA-N -1 3 382.493 3.176 20 0 GGADHM Cc1cccnc1[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737436024 599009410 /nfs/dbraw/zinc/00/94/10/599009410.db2.gz QAJLLNNWLATFAD-KRWDZBQOSA-N -1 3 382.493 3.176 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1cc(F)ccc1F ZINC000737032910 599009541 /nfs/dbraw/zinc/00/95/41/599009541.db2.gz PXGNCXSOHLQPJG-UHFFFAOYSA-N -1 3 378.404 3.466 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1cc(F)ccc1F ZINC000737032910 599009542 /nfs/dbraw/zinc/00/95/42/599009542.db2.gz PXGNCXSOHLQPJG-UHFFFAOYSA-N -1 3 378.404 3.466 20 0 GGADHM Cc1cc(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc12 ZINC000737283203 599011339 /nfs/dbraw/zinc/01/13/39/599011339.db2.gz OGGDKPNWBSINGW-KRWDZBQOSA-N -1 3 376.445 3.042 20 0 GGADHM Cc1cc(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC000737283203 599011341 /nfs/dbraw/zinc/01/13/41/599011341.db2.gz OGGDKPNWBSINGW-KRWDZBQOSA-N -1 3 376.445 3.042 20 0 GGADHM CC[C@@H]1CCC[C@@H](NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000736397076 599012373 /nfs/dbraw/zinc/01/23/73/599012373.db2.gz RPSZCTHWCIFMER-GDBMZVCRSA-N -1 3 388.541 3.368 20 0 GGADHM CC[C@@H]1CCC[C@@H](NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000736397076 599012375 /nfs/dbraw/zinc/01/23/75/599012375.db2.gz RPSZCTHWCIFMER-GDBMZVCRSA-N -1 3 388.541 3.368 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738116098 599013326 /nfs/dbraw/zinc/01/33/26/599013326.db2.gz JEWIFAFUVLXRAI-WFASDCNBSA-N -1 3 386.818 3.015 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738116098 599013328 /nfs/dbraw/zinc/01/33/28/599013328.db2.gz JEWIFAFUVLXRAI-WFASDCNBSA-N -1 3 386.818 3.015 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000736180434 599016616 /nfs/dbraw/zinc/01/66/16/599016616.db2.gz IPKZPBJTYBBQFB-AWEZNQCLSA-N -1 3 395.438 3.212 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000736180434 599016618 /nfs/dbraw/zinc/01/66/18/599016618.db2.gz IPKZPBJTYBBQFB-AWEZNQCLSA-N -1 3 395.438 3.212 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000736228601 599019652 /nfs/dbraw/zinc/01/96/52/599019652.db2.gz OKFQDQBILUILRR-CHWSQXEVSA-N -1 3 379.424 3.316 20 0 GGADHM CCCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736468125 599023697 /nfs/dbraw/zinc/02/36/97/599023697.db2.gz JHPZYLHHJMIPHX-BVPBIZIASA-N -1 3 398.511 3.163 20 0 GGADHM CCCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736468125 599023698 /nfs/dbraw/zinc/02/36/98/599023698.db2.gz JHPZYLHHJMIPHX-BVPBIZIASA-N -1 3 398.511 3.163 20 0 GGADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735922112 599026224 /nfs/dbraw/zinc/02/62/24/599026224.db2.gz CNFODKNCKQSJON-ROUUACIJSA-N -1 3 392.463 3.144 20 0 GGADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735922112 599026225 /nfs/dbraw/zinc/02/62/25/599026225.db2.gz CNFODKNCKQSJON-ROUUACIJSA-N -1 3 392.463 3.144 20 0 GGADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000736383481 599027710 /nfs/dbraw/zinc/02/77/10/599027710.db2.gz SJOGVRPGCPPYPF-FZKQIMNGSA-N -1 3 382.420 3.337 20 0 GGADHM CCc1nc(C)c([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)s1 ZINC000736697864 599029544 /nfs/dbraw/zinc/02/95/44/599029544.db2.gz CMOWPXATSWNCDQ-NWDGAFQWSA-N -1 3 387.465 3.266 20 0 GGADHM CCc1nc(C)c([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)s1 ZINC000736697864 599029547 /nfs/dbraw/zinc/02/95/47/599029547.db2.gz CMOWPXATSWNCDQ-NWDGAFQWSA-N -1 3 387.465 3.266 20 0 GGADHM Cc1c(NCC(=O)N(C)[C@@H]2CCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822115365 607257372 /nfs/dbraw/zinc/25/73/72/607257372.db2.gz DKTNHWHKCLVLRJ-LJQANCHMSA-N -1 3 376.464 3.123 20 0 GGADHM Cc1c(NCC(=O)N(C)[C@@H]2CCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822115365 607257373 /nfs/dbraw/zinc/25/73/73/607257373.db2.gz DKTNHWHKCLVLRJ-LJQANCHMSA-N -1 3 376.464 3.123 20 0 GGADHM Cn1cc(-c2csc(=Nc3ccc(-c4nnn[n-]4)c(Cl)c3)n2C2CC2)cn1 ZINC000737592157 599031716 /nfs/dbraw/zinc/03/17/16/599031716.db2.gz KYTXIFPVUVDGEJ-UHFFFAOYSA-N -1 3 398.883 3.351 20 0 GGADHM Cn1cc(-c2csc(=Nc3ccc(-c4nn[n-]n4)c(Cl)c3)n2C2CC2)cn1 ZINC000737592157 599031720 /nfs/dbraw/zinc/03/17/20/599031720.db2.gz KYTXIFPVUVDGEJ-UHFFFAOYSA-N -1 3 398.883 3.351 20 0 GGADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N(c1ccccc1)C1CCCCC1 ZINC000738353011 599032263 /nfs/dbraw/zinc/03/22/63/599032263.db2.gz BOCCLSRVZXJQFT-UHFFFAOYSA-N -1 3 383.477 3.395 20 0 GGADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N(c1ccccc1)C1CCCCC1 ZINC000738353011 599032267 /nfs/dbraw/zinc/03/22/67/599032267.db2.gz BOCCLSRVZXJQFT-UHFFFAOYSA-N -1 3 383.477 3.395 20 0 GGADHM COc1ccc(C)cc1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737076726 599039375 /nfs/dbraw/zinc/03/93/75/599039375.db2.gz LISUZOBZLJEIKQ-UHFFFAOYSA-N -1 3 378.358 3.252 20 0 GGADHM COc1ccc(C)cc1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737076726 599039378 /nfs/dbraw/zinc/03/93/78/599039378.db2.gz LISUZOBZLJEIKQ-UHFFFAOYSA-N -1 3 378.358 3.252 20 0 GGADHM CCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1OC ZINC000736643974 599043429 /nfs/dbraw/zinc/04/34/29/599043429.db2.gz CNEYRIJRNVKOBR-UHFFFAOYSA-N -1 3 394.357 3.300 20 0 GGADHM CCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1OC ZINC000736643974 599043431 /nfs/dbraw/zinc/04/34/31/599043431.db2.gz CNEYRIJRNVKOBR-UHFFFAOYSA-N -1 3 394.357 3.300 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821853963 599043758 /nfs/dbraw/zinc/04/37/58/599043758.db2.gz DMXKNVDMIBISTL-LBPRGKRZSA-N -1 3 392.341 3.225 20 0 GGADHM COc1ccc2c(c1)OCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821853963 599043761 /nfs/dbraw/zinc/04/37/61/599043761.db2.gz DMXKNVDMIBISTL-LBPRGKRZSA-N -1 3 392.341 3.225 20 0 GGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@H]2CCN(c3ccccc3)C2)n1 ZINC000737635937 599044836 /nfs/dbraw/zinc/04/48/36/599044836.db2.gz QYLRXEBGJSEJAS-GFCCVEGCSA-N -1 3 389.385 3.219 20 0 GGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@H]2CCN(c3ccccc3)C2)n1 ZINC000737635937 599044839 /nfs/dbraw/zinc/04/48/39/599044839.db2.gz QYLRXEBGJSEJAS-GFCCVEGCSA-N -1 3 389.385 3.219 20 0 GGADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCCC4(CCOCC4)C3)c2c1 ZINC000822754038 599045129 /nfs/dbraw/zinc/04/51/29/599045129.db2.gz WRSRTXYZHWKDAD-UHFFFAOYSA-N -1 3 386.406 3.090 20 0 GGADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCCC4(CCOCC4)C3)c2c1 ZINC000822754038 599045132 /nfs/dbraw/zinc/04/51/32/599045132.db2.gz WRSRTXYZHWKDAD-UHFFFAOYSA-N -1 3 386.406 3.090 20 0 GGADHM O[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000738385674 599046083 /nfs/dbraw/zinc/04/60/83/599046083.db2.gz XOVVGKLWXJYFRO-NSHDSACASA-N -1 3 384.749 3.079 20 0 GGADHM O[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000738385674 599046086 /nfs/dbraw/zinc/04/60/86/599046086.db2.gz XOVVGKLWXJYFRO-NSHDSACASA-N -1 3 384.749 3.079 20 0 GGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000736292553 599048979 /nfs/dbraw/zinc/04/89/79/599048979.db2.gz KQCDIOBUXIHGDG-SMDDNHRTSA-N -1 3 390.369 3.247 20 0 GGADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000736292553 599048982 /nfs/dbraw/zinc/04/89/82/599048982.db2.gz KQCDIOBUXIHGDG-SMDDNHRTSA-N -1 3 390.369 3.247 20 0 GGADHM CN(C)c1ccc(N2CCC(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000821589345 599052836 /nfs/dbraw/zinc/05/28/36/599052836.db2.gz KDTKHCXZHJDFST-UHFFFAOYSA-N -1 3 398.902 3.062 20 0 GGADHM CN(C)c1ccc(N2CCC(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821589345 599052840 /nfs/dbraw/zinc/05/28/40/599052840.db2.gz KDTKHCXZHJDFST-UHFFFAOYSA-N -1 3 398.902 3.062 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCOC2(CCCCC2)C1 ZINC000822204596 599055961 /nfs/dbraw/zinc/05/59/61/599055961.db2.gz UIYYCVFFOPVCBP-UHFFFAOYSA-N -1 3 382.443 3.402 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCOC2(CCCCC2)C1 ZINC000822204596 599055963 /nfs/dbraw/zinc/05/59/63/599055963.db2.gz UIYYCVFFOPVCBP-UHFFFAOYSA-N -1 3 382.443 3.402 20 0 GGADHM Cc1ccc2cccc(C(=O)OCCCOc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737375711 599059158 /nfs/dbraw/zinc/05/91/58/599059158.db2.gz XEPMEPFYSKLWGE-UHFFFAOYSA-N -1 3 389.415 3.349 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000738312679 599064588 /nfs/dbraw/zinc/06/45/88/599064588.db2.gz CBRCVKPHENTNDN-UHFFFAOYSA-N -1 3 397.435 3.174 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000738232498 599060075 /nfs/dbraw/zinc/06/00/75/599060075.db2.gz RKLFMWYICAYHTK-IBGZPJMESA-N -1 3 395.438 3.104 20 0 GGADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000738232498 599060078 /nfs/dbraw/zinc/06/00/78/599060078.db2.gz RKLFMWYICAYHTK-IBGZPJMESA-N -1 3 395.438 3.104 20 0 GGADHM O=C1c2ccccc2C(=O)N1CCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000738312679 599064591 /nfs/dbraw/zinc/06/45/91/599064591.db2.gz CBRCVKPHENTNDN-UHFFFAOYSA-N -1 3 397.435 3.174 20 0 GGADHM CC(C)CN(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735817521 599061059 /nfs/dbraw/zinc/06/10/59/599061059.db2.gz AZDMUNZYQTVLFZ-UHFFFAOYSA-N -1 3 376.530 3.176 20 0 GGADHM CC(C)CN(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735817521 599061062 /nfs/dbraw/zinc/06/10/62/599061062.db2.gz AZDMUNZYQTVLFZ-UHFFFAOYSA-N -1 3 376.530 3.176 20 0 GGADHM Cc1cccc2c(CC(=O)O[C@H](C)COc3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737407349 599061390 /nfs/dbraw/zinc/06/13/90/599061390.db2.gz DTGIWTQXXXLZGF-CQSZACIVSA-N -1 3 391.431 3.210 20 0 GGADHM Cc1cccc2c(CC(=O)O[C@H](C)COc3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737407349 599061393 /nfs/dbraw/zinc/06/13/93/599061393.db2.gz DTGIWTQXXXLZGF-CQSZACIVSA-N -1 3 391.431 3.210 20 0 GGADHM CCOC(=O)C[C@H](C)Sc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000736592180 599063479 /nfs/dbraw/zinc/06/34/79/599063479.db2.gz AJPTXQYVHBWLAO-LBPRGKRZSA-N -1 3 396.476 3.410 20 0 GGADHM CCOC(=O)C[C@H](C)Sc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736592180 599063482 /nfs/dbraw/zinc/06/34/82/599063482.db2.gz AJPTXQYVHBWLAO-LBPRGKRZSA-N -1 3 396.476 3.410 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(N(C)C)cc1 ZINC000736194222 599065196 /nfs/dbraw/zinc/06/51/96/599065196.db2.gz YADBCDKERQKHSO-NSHDSACASA-N -1 3 386.456 3.191 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(N(C)C)cc1 ZINC000736194222 599065199 /nfs/dbraw/zinc/06/51/99/599065199.db2.gz YADBCDKERQKHSO-NSHDSACASA-N -1 3 386.456 3.191 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cc(F)ccc1F ZINC000736192018 599067426 /nfs/dbraw/zinc/06/74/26/599067426.db2.gz JUYZVXKEDAZLIC-QMMMGPOBSA-N -1 3 379.367 3.403 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cc(F)ccc1F ZINC000736192018 599067428 /nfs/dbraw/zinc/06/74/28/599067428.db2.gz JUYZVXKEDAZLIC-QMMMGPOBSA-N -1 3 379.367 3.403 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735654908 599069774 /nfs/dbraw/zinc/06/97/74/599069774.db2.gz KTSVUCSRJBVTRL-GXTWGEPZSA-N -1 3 386.406 3.444 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735654908 599069778 /nfs/dbraw/zinc/06/97/78/599069778.db2.gz KTSVUCSRJBVTRL-GXTWGEPZSA-N -1 3 386.406 3.444 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)s1 ZINC000736679558 599072054 /nfs/dbraw/zinc/07/20/54/599072054.db2.gz XDEYDFYTXYGBTD-AUUYWEPGSA-N -1 3 381.461 3.170 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)s1 ZINC000736679558 599072057 /nfs/dbraw/zinc/07/20/57/599072057.db2.gz XDEYDFYTXYGBTD-AUUYWEPGSA-N -1 3 381.461 3.170 20 0 GGADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C[C@H](C)S1 ZINC000820768837 599074695 /nfs/dbraw/zinc/07/46/95/599074695.db2.gz QDQJHNBWKKFQNR-UWVGGRQHSA-N -1 3 392.435 3.347 20 0 GGADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C[C@H](C)S1 ZINC000820768837 599074698 /nfs/dbraw/zinc/07/46/98/599074698.db2.gz QDQJHNBWKKFQNR-UWVGGRQHSA-N -1 3 392.435 3.347 20 0 GGADHM COc1ccc(O[C@H](C)CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000821837662 599077211 /nfs/dbraw/zinc/07/72/11/599077211.db2.gz FNYWZSLHNNQTSB-CYBMUJFWSA-N -1 3 376.420 3.303 20 0 GGADHM COc1ccc(O[C@H](C)CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000821837662 599077213 /nfs/dbraw/zinc/07/72/13/599077213.db2.gz FNYWZSLHNNQTSB-CYBMUJFWSA-N -1 3 376.420 3.303 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000821837663 599077397 /nfs/dbraw/zinc/07/73/97/599077397.db2.gz FNYWZSLHNNQTSB-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM COc1ccc(O[C@@H](C)CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000821837663 599077400 /nfs/dbraw/zinc/07/74/00/599077400.db2.gz FNYWZSLHNNQTSB-ZDUSSCGKSA-N -1 3 376.420 3.303 20 0 GGADHM CC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736358712 599077744 /nfs/dbraw/zinc/07/77/44/599077744.db2.gz WWXKBMWCRZDAMQ-SFHVURJKSA-N -1 3 379.464 3.118 20 0 GGADHM CC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736358712 599077748 /nfs/dbraw/zinc/07/77/48/599077748.db2.gz WWXKBMWCRZDAMQ-SFHVURJKSA-N -1 3 379.464 3.118 20 0 GGADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@@H](C)c2ccco2)c1C ZINC000737502006 599078254 /nfs/dbraw/zinc/07/82/54/599078254.db2.gz DJHDXKYOGHDMJH-LBPRGKRZSA-N -1 3 377.408 3.004 20 0 GGADHM O=C1OCCN1c1cccc2c1CCN(c1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC000823551063 599081671 /nfs/dbraw/zinc/08/16/71/599081671.db2.gz DFFUMDGQZBJUBB-UHFFFAOYSA-N -1 3 396.838 3.039 20 0 GGADHM O=C1OCCN1c1cccc2c1CCN(c1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC000823551063 599081674 /nfs/dbraw/zinc/08/16/74/599081674.db2.gz DFFUMDGQZBJUBB-UHFFFAOYSA-N -1 3 396.838 3.039 20 0 GGADHM C[C@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736266884 599082434 /nfs/dbraw/zinc/08/24/34/599082434.db2.gz PUSUICCKAGWWSB-KBPBESRZSA-N -1 3 381.436 3.299 20 0 GGADHM C[C@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736266884 599082437 /nfs/dbraw/zinc/08/24/37/599082437.db2.gz PUSUICCKAGWWSB-KBPBESRZSA-N -1 3 381.436 3.299 20 0 GGADHM CCc1cnc(CCNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)s1 ZINC000821496947 599083577 /nfs/dbraw/zinc/08/35/77/599083577.db2.gz MBAYTBYGJKLXAK-UHFFFAOYSA-N -1 3 385.884 3.164 20 0 GGADHM CCc1cnc(CCNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)s1 ZINC000821496947 599083580 /nfs/dbraw/zinc/08/35/80/599083580.db2.gz MBAYTBYGJKLXAK-UHFFFAOYSA-N -1 3 385.884 3.164 20 0 GGADHM NC(=O)[C@@H](Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735969 599085640 /nfs/dbraw/zinc/08/56/40/599085640.db2.gz FUUIMVLOYJNAQJ-IBGZPJMESA-N -1 3 386.415 3.298 20 0 GGADHM NC(=O)[C@@H](Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735969 599085642 /nfs/dbraw/zinc/08/56/42/599085642.db2.gz FUUIMVLOYJNAQJ-IBGZPJMESA-N -1 3 386.415 3.298 20 0 GGADHM C[C@@H](N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000736128160 599086724 /nfs/dbraw/zinc/08/67/24/599086724.db2.gz VVJKZWXLWRWULQ-PSLIRLAXSA-N -1 3 391.262 3.051 20 0 GGADHM C[C@@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000736128160 599086727 /nfs/dbraw/zinc/08/67/27/599086727.db2.gz VVJKZWXLWRWULQ-PSLIRLAXSA-N -1 3 391.262 3.051 20 0 GGADHM C[C@H](N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000736128159 599086805 /nfs/dbraw/zinc/08/68/05/599086805.db2.gz VVJKZWXLWRWULQ-BJOHPYRUSA-N -1 3 391.262 3.051 20 0 GGADHM C[C@H](N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000736128159 599086809 /nfs/dbraw/zinc/08/68/09/599086809.db2.gz VVJKZWXLWRWULQ-BJOHPYRUSA-N -1 3 391.262 3.051 20 0 GGADHM COC[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736976610 599089756 /nfs/dbraw/zinc/08/97/56/599089756.db2.gz GKQRIHBFJPVBCP-MRXNPFEDSA-N -1 3 397.504 3.419 20 0 GGADHM COC[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736976610 599089758 /nfs/dbraw/zinc/08/97/58/599089758.db2.gz GKQRIHBFJPVBCP-MRXNPFEDSA-N -1 3 397.504 3.419 20 0 GGADHM Cc1ccc(CCN(C[C@H]2CCCO2)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822236131 599090073 /nfs/dbraw/zinc/09/00/73/599090073.db2.gz LCSUFHFEEAWFHS-QGZVFWFLSA-N -1 3 398.898 3.452 20 0 GGADHM Cc1ccc(CCN(C[C@H]2CCCO2)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822236131 599090075 /nfs/dbraw/zinc/09/00/75/599090075.db2.gz LCSUFHFEEAWFHS-QGZVFWFLSA-N -1 3 398.898 3.452 20 0 GGADHM C[C@H]1Cc2ccccc2CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736300593 599093577 /nfs/dbraw/zinc/09/35/77/599093577.db2.gz ZCIHROZLJBTWNJ-AWEZNQCLSA-N -1 3 379.489 3.073 20 0 GGADHM C[C@H]1Cc2ccccc2CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736300593 599093580 /nfs/dbraw/zinc/09/35/80/599093580.db2.gz ZCIHROZLJBTWNJ-AWEZNQCLSA-N -1 3 379.489 3.073 20 0 GGADHM CN(C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC(C)(C)C ZINC000821596124 599094095 /nfs/dbraw/zinc/09/40/95/599094095.db2.gz AFBMIYZCCVDAIB-ZDUSSCGKSA-N -1 3 392.891 3.356 20 0 GGADHM CN(C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC(C)(C)C ZINC000821596124 599094098 /nfs/dbraw/zinc/09/40/98/599094098.db2.gz AFBMIYZCCVDAIB-ZDUSSCGKSA-N -1 3 392.891 3.356 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000735735656 599094930 /nfs/dbraw/zinc/09/49/30/599094930.db2.gz PPUHYHFHAGWEBG-AOIWGVFYSA-N -1 3 383.496 3.355 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000735735656 599094934 /nfs/dbraw/zinc/09/49/34/599094934.db2.gz PPUHYHFHAGWEBG-AOIWGVFYSA-N -1 3 383.496 3.355 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000736008817 599095195 /nfs/dbraw/zinc/09/51/95/599095195.db2.gz BCPUVOUGVAZTLO-KBXCAEBGSA-N -1 3 399.520 3.327 20 0 GGADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000736008817 599095197 /nfs/dbraw/zinc/09/51/97/599095197.db2.gz BCPUVOUGVAZTLO-KBXCAEBGSA-N -1 3 399.520 3.327 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000736008818 599095890 /nfs/dbraw/zinc/09/58/90/599095890.db2.gz BCPUVOUGVAZTLO-KDOFPFPSSA-N -1 3 399.520 3.327 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000736008818 599095893 /nfs/dbraw/zinc/09/58/93/599095893.db2.gz BCPUVOUGVAZTLO-KDOFPFPSSA-N -1 3 399.520 3.327 20 0 GGADHM O=C1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000823519157 599096036 /nfs/dbraw/zinc/09/60/36/599096036.db2.gz CIHGLWIOLNDEGW-ZVZYQTTQSA-N -1 3 394.866 3.089 20 0 GGADHM O=C1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000823519157 599096039 /nfs/dbraw/zinc/09/60/39/599096039.db2.gz CIHGLWIOLNDEGW-ZVZYQTTQSA-N -1 3 394.866 3.089 20 0 GGADHM CCO[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCC2 ZINC000821358181 599101227 /nfs/dbraw/zinc/10/12/27/599101227.db2.gz HZBDUYMXBLKCAV-QWHCGFSZSA-N -1 3 382.390 3.430 20 0 GGADHM CCO[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCC2 ZINC000821358181 599101229 /nfs/dbraw/zinc/10/12/29/599101229.db2.gz HZBDUYMXBLKCAV-QWHCGFSZSA-N -1 3 382.390 3.430 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000737894741 599103215 /nfs/dbraw/zinc/10/32/15/599103215.db2.gz JVACWJYWXIDVFO-UHFFFAOYSA-N -1 3 376.342 3.022 20 0 GGADHM Cc1c(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)oc2ccccc12 ZINC000737210035 599104852 /nfs/dbraw/zinc/10/48/52/599104852.db2.gz BPNSYWQUAIWVAN-CYBMUJFWSA-N -1 3 376.420 3.482 20 0 GGADHM Cc1c(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)oc2ccccc12 ZINC000737210035 599104853 /nfs/dbraw/zinc/10/48/53/599104853.db2.gz BPNSYWQUAIWVAN-CYBMUJFWSA-N -1 3 376.420 3.482 20 0 GGADHM C[S@](=O)Cc1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000737172203 599105053 /nfs/dbraw/zinc/10/50/53/599105053.db2.gz HSBFKTCUTIHFCN-SANMLTNESA-N -1 3 390.856 3.043 20 0 GGADHM C[S@](=O)Cc1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737172203 599105056 /nfs/dbraw/zinc/10/50/56/599105056.db2.gz HSBFKTCUTIHFCN-SANMLTNESA-N -1 3 390.856 3.043 20 0 GGADHM C[C@@H](CNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(C)(C)C ZINC000736017323 599106380 /nfs/dbraw/zinc/10/63/80/599106380.db2.gz LJMNJBXTLSYSES-AWEZNQCLSA-N -1 3 386.500 3.102 20 0 GGADHM C[C@@H](CNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(C)(C)C ZINC000736017323 599106382 /nfs/dbraw/zinc/10/63/82/599106382.db2.gz LJMNJBXTLSYSES-AWEZNQCLSA-N -1 3 386.500 3.102 20 0 GGADHM COc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1-c1nnn[n-]1 ZINC000821732145 599116501 /nfs/dbraw/zinc/11/65/01/599116501.db2.gz KKOJTFOTHCRRHK-UHFFFAOYSA-N -1 3 380.433 3.131 20 0 GGADHM COc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1-c1nn[n-]n1 ZINC000821732145 599116504 /nfs/dbraw/zinc/11/65/04/599116504.db2.gz KKOJTFOTHCRRHK-UHFFFAOYSA-N -1 3 380.433 3.131 20 0 GGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821242859 599119304 /nfs/dbraw/zinc/11/93/04/599119304.db2.gz XCVBSCOIVZTRSU-KRWDZBQOSA-N -1 3 384.827 3.115 20 0 GGADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821242859 599119305 /nfs/dbraw/zinc/11/93/05/599119305.db2.gz XCVBSCOIVZTRSU-KRWDZBQOSA-N -1 3 384.827 3.115 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1Cn1cccn1 ZINC000737409326 599122058 /nfs/dbraw/zinc/12/20/58/599122058.db2.gz MLFNGNWZQXNXLF-UHFFFAOYSA-N -1 3 396.458 3.002 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1Cn1cccn1 ZINC000737409326 599122060 /nfs/dbraw/zinc/12/20/60/599122060.db2.gz MLFNGNWZQXNXLF-UHFFFAOYSA-N -1 3 396.458 3.002 20 0 GGADHM C[C@@H](Sc1ncc[nH]1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820557317 599127232 /nfs/dbraw/zinc/12/72/32/599127232.db2.gz YHGAVFIHFSFOQX-SECBINFHSA-N -1 3 389.510 3.040 20 0 GGADHM C[C@@H](Sc1ncc[nH]1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820557317 599127233 /nfs/dbraw/zinc/12/72/33/599127233.db2.gz YHGAVFIHFSFOQX-SECBINFHSA-N -1 3 389.510 3.040 20 0 GGADHM COc1ccccc1[C@@H](C)SC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821882935 599128293 /nfs/dbraw/zinc/12/82/93/599128293.db2.gz NTDXNYPZSSIPDI-HIFRSBDPSA-N -1 3 386.477 3.109 20 0 GGADHM O=C(OCC1CCOCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738223132 599130765 /nfs/dbraw/zinc/13/07/65/599130765.db2.gz WXKJRDBVOGFHTE-UHFFFAOYSA-N -1 3 394.431 3.029 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000463613436 599133741 /nfs/dbraw/zinc/13/37/41/599133741.db2.gz PIJPWMUQRCHQHU-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000463613436 599133743 /nfs/dbraw/zinc/13/37/43/599133743.db2.gz PIJPWMUQRCHQHU-UHFFFAOYSA-N -1 3 382.399 3.243 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(Br)c1C ZINC000821699434 599134598 /nfs/dbraw/zinc/13/45/98/599134598.db2.gz POVBILXHOASRBK-UHFFFAOYSA-N -1 3 389.209 3.165 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(Br)c1C ZINC000821699434 599134599 /nfs/dbraw/zinc/13/45/99/599134599.db2.gz POVBILXHOASRBK-UHFFFAOYSA-N -1 3 389.209 3.165 20 0 GGADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000821134624 599134795 /nfs/dbraw/zinc/13/47/95/599134795.db2.gz ZUPWSPAQQLEHOY-UHFFFAOYSA-N -1 3 382.420 3.202 20 0 GGADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000821134624 599134798 /nfs/dbraw/zinc/13/47/98/599134798.db2.gz ZUPWSPAQQLEHOY-UHFFFAOYSA-N -1 3 382.420 3.202 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000820206732 599136668 /nfs/dbraw/zinc/13/66/68/599136668.db2.gz YBACNKAAEQUZQE-NSHDSACASA-N -1 3 395.492 3.429 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000820206732 599136671 /nfs/dbraw/zinc/13/66/71/599136671.db2.gz YBACNKAAEQUZQE-NSHDSACASA-N -1 3 395.492 3.429 20 0 GGADHM Cc1c(Br)cccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822015089 599137109 /nfs/dbraw/zinc/13/71/09/599137109.db2.gz CBTBPCHOJRTBCB-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1c(Br)cccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822015089 599137111 /nfs/dbraw/zinc/13/71/11/599137111.db2.gz CBTBPCHOJRTBCB-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233384 599140097 /nfs/dbraw/zinc/14/00/97/599140097.db2.gz NUYRULICFFOKQW-VQTJNVASSA-N -1 3 391.475 3.301 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233384 599140099 /nfs/dbraw/zinc/14/00/99/599140099.db2.gz NUYRULICFFOKQW-VQTJNVASSA-N -1 3 391.475 3.301 20 0 GGADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822950063 599142804 /nfs/dbraw/zinc/14/28/04/599142804.db2.gz CWAIDOABTLPTFD-UHFFFAOYSA-N -1 3 394.435 3.199 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(Br)c1 ZINC000821766047 599148439 /nfs/dbraw/zinc/14/84/39/599148439.db2.gz QHHLDRGWYAYRRR-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(Br)c1 ZINC000821766047 599148441 /nfs/dbraw/zinc/14/84/41/599148441.db2.gz QHHLDRGWYAYRRR-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000738168233 599148914 /nfs/dbraw/zinc/14/89/14/599148914.db2.gz WLQJXRHVFXCMTR-SFHVURJKSA-N -1 3 396.426 3.295 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000738168233 599148915 /nfs/dbraw/zinc/14/89/15/599148915.db2.gz WLQJXRHVFXCMTR-SFHVURJKSA-N -1 3 396.426 3.295 20 0 GGADHM COCc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000821695443 599151329 /nfs/dbraw/zinc/15/13/29/599151329.db2.gz ZONBSHGNMJCZGL-UHFFFAOYSA-N -1 3 392.375 3.046 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822233333 599151598 /nfs/dbraw/zinc/15/15/98/599151598.db2.gz MUDNUJXZFJSVTA-CRAIPNDOSA-N -1 3 381.411 3.421 20 0 GGADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822233333 599151600 /nfs/dbraw/zinc/15/16/00/599151600.db2.gz MUDNUJXZFJSVTA-CRAIPNDOSA-N -1 3 381.411 3.421 20 0 GGADHM O=C(CCCC1CCCC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822955415 599151966 /nfs/dbraw/zinc/15/19/66/599151966.db2.gz UJLFAUGJWMTHED-UHFFFAOYSA-N -1 3 386.475 3.015 20 0 GGADHM Cc1cc2cc(C(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)oc2cc1C ZINC000822212782 599156073 /nfs/dbraw/zinc/15/60/73/599156073.db2.gz HLSRVVXUFAKIQW-UHFFFAOYSA-N -1 3 377.404 3.039 20 0 GGADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820432799 599157324 /nfs/dbraw/zinc/15/73/24/599157324.db2.gz RZJFUVOFASCGRS-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820432799 599157326 /nfs/dbraw/zinc/15/73/26/599157326.db2.gz RZJFUVOFASCGRS-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820882319 599161167 /nfs/dbraw/zinc/16/11/67/599161167.db2.gz PHLXRBVBSFJJOH-CYBMUJFWSA-N -1 3 383.427 3.215 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820882319 599161169 /nfs/dbraw/zinc/16/11/69/599161169.db2.gz PHLXRBVBSFJJOH-CYBMUJFWSA-N -1 3 383.427 3.215 20 0 GGADHM c1cc2c(ncnc2SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)s1 ZINC000738407637 599161388 /nfs/dbraw/zinc/16/13/88/599161388.db2.gz ZXQAZEUCAPIRMS-UHFFFAOYSA-N -1 3 394.445 3.214 20 0 GGADHM c1cc2c(ncnc2SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)s1 ZINC000738407637 599161390 /nfs/dbraw/zinc/16/13/90/599161390.db2.gz ZXQAZEUCAPIRMS-UHFFFAOYSA-N -1 3 394.445 3.214 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735644105 599162297 /nfs/dbraw/zinc/16/22/97/599162297.db2.gz VFJUBABTUBKBGH-AREMUKBSSA-N -1 3 389.506 3.228 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735644105 599162301 /nfs/dbraw/zinc/16/23/01/599162301.db2.gz VFJUBABTUBKBGH-AREMUKBSSA-N -1 3 389.506 3.228 20 0 GGADHM CC(=O)c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000735497355 599166028 /nfs/dbraw/zinc/16/60/28/599166028.db2.gz AIKOTKRNERVATM-UHFFFAOYSA-N -1 3 376.376 3.007 20 0 GGADHM CC(=O)c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000735497355 599166030 /nfs/dbraw/zinc/16/60/30/599166030.db2.gz AIKOTKRNERVATM-UHFFFAOYSA-N -1 3 376.376 3.007 20 0 GGADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736353104 599166815 /nfs/dbraw/zinc/16/68/15/599166815.db2.gz NNCODPZSIZMTCD-INIZCTEOSA-N -1 3 385.855 3.036 20 0 GGADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822935958 599169903 /nfs/dbraw/zinc/16/99/03/599169903.db2.gz QRSRAPLAHOCXPF-AWEZNQCLSA-N -1 3 393.344 3.358 20 0 GGADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822935958 599169905 /nfs/dbraw/zinc/16/99/05/599169905.db2.gz QRSRAPLAHOCXPF-AWEZNQCLSA-N -1 3 393.344 3.358 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)NCCc1ccc(Cl)cc1 ZINC000737949265 599170104 /nfs/dbraw/zinc/17/01/04/599170104.db2.gz YMFLFDYTEZNYRH-UHFFFAOYSA-N -1 3 391.859 3.110 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)NCCc1ccc(Cl)cc1 ZINC000737949265 599170107 /nfs/dbraw/zinc/17/01/07/599170107.db2.gz YMFLFDYTEZNYRH-UHFFFAOYSA-N -1 3 391.859 3.110 20 0 GGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccnc1Cl ZINC000736189381 599170305 /nfs/dbraw/zinc/17/03/05/599170305.db2.gz BXZQXGWATKEHHZ-QMMMGPOBSA-N -1 3 378.820 3.174 20 0 GGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccnc1Cl ZINC000736189381 599170308 /nfs/dbraw/zinc/17/03/08/599170308.db2.gz BXZQXGWATKEHHZ-QMMMGPOBSA-N -1 3 378.820 3.174 20 0 GGADHM CC(C)CN(CC(F)(F)F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735827147 599170426 /nfs/dbraw/zinc/17/04/26/599170426.db2.gz GXJXSWWCXCIZBP-UHFFFAOYSA-N -1 3 391.394 3.145 20 0 GGADHM CC(C)CN(CC(F)(F)F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735827147 599170427 /nfs/dbraw/zinc/17/04/27/599170427.db2.gz GXJXSWWCXCIZBP-UHFFFAOYSA-N -1 3 391.394 3.145 20 0 GGADHM COc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc12 ZINC000821772857 599171851 /nfs/dbraw/zinc/17/18/51/599171851.db2.gz STGNCPWGZJGWKN-UHFFFAOYSA-N -1 3 377.379 3.098 20 0 GGADHM COc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc12 ZINC000821772857 599171854 /nfs/dbraw/zinc/17/18/54/599171854.db2.gz STGNCPWGZJGWKN-UHFFFAOYSA-N -1 3 377.379 3.098 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)nc2ccccc21 ZINC000823237768 599172757 /nfs/dbraw/zinc/17/27/57/599172757.db2.gz BGECSXLMFSMYAL-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)nc2ccccc21 ZINC000823237768 599172761 /nfs/dbraw/zinc/17/27/61/599172761.db2.gz BGECSXLMFSMYAL-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC[C@H]1c1ccco1 ZINC000735570980 599174983 /nfs/dbraw/zinc/17/49/83/599174983.db2.gz QWKDRNATQOUSJL-YPMHNXCESA-N -1 3 398.492 3.174 20 0 GGADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC[C@H]1c1ccco1 ZINC000735570980 599174985 /nfs/dbraw/zinc/17/49/85/599174985.db2.gz QWKDRNATQOUSJL-YPMHNXCESA-N -1 3 398.492 3.174 20 0 GGADHM Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1-n1cccc1 ZINC000822226330 599179023 /nfs/dbraw/zinc/17/90/23/599179023.db2.gz MVQUHGNKAWALKG-UHFFFAOYSA-N -1 3 376.395 3.035 20 0 GGADHM Cc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1-n1cccc1 ZINC000822226330 599179025 /nfs/dbraw/zinc/17/90/25/599179025.db2.gz MVQUHGNKAWALKG-UHFFFAOYSA-N -1 3 376.395 3.035 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c2cccnc12 ZINC000823241670 599179747 /nfs/dbraw/zinc/17/97/47/599179747.db2.gz BLRQIVJTXXZPCV-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c2cccnc12 ZINC000823241670 599179748 /nfs/dbraw/zinc/17/97/48/599179748.db2.gz BLRQIVJTXXZPCV-UHFFFAOYSA-N -1 3 382.786 3.137 20 0 GGADHM Cc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CC(C)C ZINC000737236897 599180004 /nfs/dbraw/zinc/18/00/04/599180004.db2.gz UDRJHJKMWHFLSS-UHFFFAOYSA-N -1 3 392.463 3.090 20 0 GGADHM Cc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CC(C)C ZINC000737236897 599180006 /nfs/dbraw/zinc/18/00/06/599180006.db2.gz UDRJHJKMWHFLSS-UHFFFAOYSA-N -1 3 392.463 3.090 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000738146489 599180796 /nfs/dbraw/zinc/18/07/96/599180796.db2.gz YHSGMXCVBDJZEZ-KGLIPLIRSA-N -1 3 397.822 3.034 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000738146489 599180800 /nfs/dbraw/zinc/18/08/00/599180800.db2.gz YHSGMXCVBDJZEZ-KGLIPLIRSA-N -1 3 397.822 3.034 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000607904410 599182079 /nfs/dbraw/zinc/18/20/79/599182079.db2.gz BTNPSHOIKMMCMZ-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000607904410 599182081 /nfs/dbraw/zinc/18/20/81/599182081.db2.gz BTNPSHOIKMMCMZ-NSHDSACASA-N -1 3 375.354 3.305 20 0 GGADHM C[C@H](NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112292 599183295 /nfs/dbraw/zinc/18/32/95/599183295.db2.gz HTMGNCDILGOWNJ-NKFCBESUSA-N -1 3 384.390 3.061 20 0 GGADHM C[C@H](NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112292 599183299 /nfs/dbraw/zinc/18/32/99/599183299.db2.gz HTMGNCDILGOWNJ-NKFCBESUSA-N -1 3 384.390 3.061 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1cccc(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736152297 599185497 /nfs/dbraw/zinc/18/54/97/599185497.db2.gz SLOQCRSMYWTXJB-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM C[C@@H](OC(=O)C[C@H](C)c1cccc(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736152297 599185499 /nfs/dbraw/zinc/18/54/99/599185499.db2.gz SLOQCRSMYWTXJB-QWHCGFSZSA-N -1 3 397.410 3.070 20 0 GGADHM COC[C@@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736967617 599189061 /nfs/dbraw/zinc/18/90/61/599189061.db2.gz LTJWNRXUZQPVNH-CYBMUJFWSA-N -1 3 385.855 3.336 20 0 GGADHM COC[C@@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736967617 599189063 /nfs/dbraw/zinc/18/90/63/599189063.db2.gz LTJWNRXUZQPVNH-CYBMUJFWSA-N -1 3 385.855 3.336 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000737294401 599189530 /nfs/dbraw/zinc/18/95/30/599189530.db2.gz NDBLBKBWKDUYAW-INIZCTEOSA-N -1 3 395.442 3.105 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000737294401 599189533 /nfs/dbraw/zinc/18/95/33/599189533.db2.gz NDBLBKBWKDUYAW-INIZCTEOSA-N -1 3 395.442 3.105 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000820667187 599189753 /nfs/dbraw/zinc/18/97/53/599189753.db2.gz LNTQPJFPPPSIIB-TYILLQQXSA-N -1 3 395.438 3.383 20 0 GGADHM Cc1ccccc1[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737422071 599186574 /nfs/dbraw/zinc/18/65/74/599186574.db2.gz ODYYDQLNCWVSHU-CABCVRRESA-N -1 3 393.447 3.239 20 0 GGADHM Cc1ccccc1[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737422071 599186576 /nfs/dbraw/zinc/18/65/76/599186576.db2.gz ODYYDQLNCWVSHU-CABCVRRESA-N -1 3 393.447 3.239 20 0 GGADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(F)c1 ZINC000735550546 599186770 /nfs/dbraw/zinc/18/67/70/599186770.db2.gz JSMYQWYFURQLGZ-SECBINFHSA-N -1 3 377.326 3.349 20 0 GGADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(F)c1 ZINC000735550546 599186773 /nfs/dbraw/zinc/18/67/73/599186773.db2.gz JSMYQWYFURQLGZ-SECBINFHSA-N -1 3 377.326 3.349 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000820666417 599190317 /nfs/dbraw/zinc/19/03/17/599190317.db2.gz HTRJQWJNFWUKJK-HBUWYVDXSA-N -1 3 395.438 3.383 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000820666417 599190320 /nfs/dbraw/zinc/19/03/20/599190320.db2.gz HTRJQWJNFWUKJK-HBUWYVDXSA-N -1 3 395.438 3.383 20 0 GGADHM O=C(N[C@H]1CCSC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823161973 599191016 /nfs/dbraw/zinc/19/10/16/599191016.db2.gz QKAZKYUUUUIABO-LBPRGKRZSA-N -1 3 383.502 3.253 20 0 GGADHM O=C(N[C@H]1CCSC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823161973 599191019 /nfs/dbraw/zinc/19/10/19/599191019.db2.gz QKAZKYUUUUIABO-LBPRGKRZSA-N -1 3 383.502 3.253 20 0 GGADHM O=C(NC1CCOCC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738036324 599196175 /nfs/dbraw/zinc/19/61/75/599196175.db2.gz QQSGLRFVFXCTBZ-UHFFFAOYSA-N -1 3 399.838 3.221 20 0 GGADHM O=C(NC1CCOCC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738036324 599196178 /nfs/dbraw/zinc/19/61/78/599196178.db2.gz QQSGLRFVFXCTBZ-UHFFFAOYSA-N -1 3 399.838 3.221 20 0 GGADHM COCCN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736990111 599202000 /nfs/dbraw/zinc/20/20/00/599202000.db2.gz ZLUWSQXSTYENDN-KBPBESRZSA-N -1 3 397.401 3.215 20 0 GGADHM COCCN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736990111 599202003 /nfs/dbraw/zinc/20/20/03/599202003.db2.gz ZLUWSQXSTYENDN-KBPBESRZSA-N -1 3 397.401 3.215 20 0 GGADHM COCCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989502 599202175 /nfs/dbraw/zinc/20/21/75/599202175.db2.gz VGSXNFQHTBNQLD-ZWKOTPCHSA-N -1 3 397.866 3.303 20 0 GGADHM COCCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989502 599202176 /nfs/dbraw/zinc/20/21/76/599202176.db2.gz VGSXNFQHTBNQLD-ZWKOTPCHSA-N -1 3 397.866 3.303 20 0 GGADHM CC(C)OC(=O)NCc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735895541 599205280 /nfs/dbraw/zinc/20/52/80/599205280.db2.gz XNODTGUNRKHOHZ-UHFFFAOYSA-N -1 3 387.831 3.293 20 0 GGADHM CC(C)OC(=O)NCc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735895541 599205282 /nfs/dbraw/zinc/20/52/82/599205282.db2.gz XNODTGUNRKHOHZ-UHFFFAOYSA-N -1 3 387.831 3.293 20 0 GGADHM O=C(NCCCCC1CCCC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823187980 599208548 /nfs/dbraw/zinc/20/85/48/599208548.db2.gz RIRPXQGYYREYNG-LJQANCHMSA-N -1 3 382.512 3.312 20 0 GGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736350641 599209711 /nfs/dbraw/zinc/20/97/11/599209711.db2.gz MEZYOSBZUKVZNW-YJBOKZPZSA-N -1 3 379.464 3.114 20 0 GGADHM C[C@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000820262042 599211924 /nfs/dbraw/zinc/21/19/24/599211924.db2.gz QXZVYERTRBBNDE-LLVKDONJSA-N -1 3 389.431 3.157 20 0 GGADHM C[C@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000820262042 599211927 /nfs/dbraw/zinc/21/19/27/599211927.db2.gz QXZVYERTRBBNDE-LLVKDONJSA-N -1 3 389.431 3.157 20 0 GGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821448246 599212848 /nfs/dbraw/zinc/21/28/48/599212848.db2.gz MMPFSWXTTSNMGI-JKSUJKDBSA-N -1 3 391.566 3.233 20 0 GGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821448246 599212849 /nfs/dbraw/zinc/21/28/49/599212849.db2.gz MMPFSWXTTSNMGI-JKSUJKDBSA-N -1 3 391.566 3.233 20 0 GGADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922029 599213901 /nfs/dbraw/zinc/21/39/01/599213901.db2.gz ADRPSFDQIULKTA-VQTJNVASSA-N -1 3 391.475 3.289 20 0 GGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820020109 599214867 /nfs/dbraw/zinc/21/48/67/599214867.db2.gz BLAMHKQKKMYJPN-UZRURVBFSA-N -1 3 379.439 3.403 20 0 GGADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820020109 599214870 /nfs/dbraw/zinc/21/48/70/599214870.db2.gz BLAMHKQKKMYJPN-UZRURVBFSA-N -1 3 379.439 3.403 20 0 GGADHM CC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735458816 599215569 /nfs/dbraw/zinc/21/55/69/599215569.db2.gz QVYIJZSPBQPEQV-LLVKDONJSA-N -1 3 386.795 3.447 20 0 GGADHM CC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735458816 599215570 /nfs/dbraw/zinc/21/55/70/599215570.db2.gz QVYIJZSPBQPEQV-LLVKDONJSA-N -1 3 386.795 3.447 20 0 GGADHM O=C(NCCC(F)(F)F)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823183184 599217824 /nfs/dbraw/zinc/21/78/24/599217824.db2.gz SQDQRNXCCZKBDY-UHFFFAOYSA-N -1 3 391.353 3.128 20 0 GGADHM O=C(NCCC(F)(F)F)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823183184 599217826 /nfs/dbraw/zinc/21/78/26/599217826.db2.gz SQDQRNXCCZKBDY-UHFFFAOYSA-N -1 3 391.353 3.128 20 0 GGADHM Cc1c2cccc(C)c2oc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737215094 599219305 /nfs/dbraw/zinc/21/93/05/599219305.db2.gz WOAJEDUXVSKDHE-UHFFFAOYSA-N -1 3 377.404 3.039 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738089672 599219960 /nfs/dbraw/zinc/21/99/60/599219960.db2.gz PIQCZUKWOSJJKS-RTWAWAEBSA-N -1 3 399.454 3.319 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC000823356820 599220258 /nfs/dbraw/zinc/22/02/58/599220258.db2.gz OQEOQHQYDOZWAP-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC000823356820 599220261 /nfs/dbraw/zinc/22/02/61/599220261.db2.gz OQEOQHQYDOZWAP-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CCc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n[nH]1 ZINC000821471076 599220821 /nfs/dbraw/zinc/22/08/21/599220821.db2.gz VHHVJBZUZAZILW-UHFFFAOYSA-N -1 3 393.382 3.336 20 0 GGADHM CCc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n[nH]1 ZINC000821471076 599220824 /nfs/dbraw/zinc/22/08/24/599220824.db2.gz VHHVJBZUZAZILW-UHFFFAOYSA-N -1 3 393.382 3.336 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1cccc(Oc2ccccn2)c1 ZINC000823055372 599221532 /nfs/dbraw/zinc/22/15/32/599221532.db2.gz NIDWUZTWEYGBRI-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1cccc(Oc2ccccn2)c1 ZINC000823055372 599221535 /nfs/dbraw/zinc/22/15/35/599221535.db2.gz NIDWUZTWEYGBRI-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(C[C@@H]1CCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822945550 599221596 /nfs/dbraw/zinc/22/15/96/599221596.db2.gz JOGNZMNBNRYTNW-ZDUSSCGKSA-N -1 3 383.383 3.306 20 0 GGADHM O=C(C[C@@H]1CCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822945550 599221598 /nfs/dbraw/zinc/22/15/98/599221598.db2.gz JOGNZMNBNRYTNW-ZDUSSCGKSA-N -1 3 383.383 3.306 20 0 GGADHM Cc1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822496491 599221731 /nfs/dbraw/zinc/22/17/31/599221731.db2.gz OEHOYBOKJBFTCI-UHFFFAOYSA-N -1 3 393.382 3.092 20 0 GGADHM Cc1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822496491 599221732 /nfs/dbraw/zinc/22/17/32/599221732.db2.gz OEHOYBOKJBFTCI-UHFFFAOYSA-N -1 3 393.382 3.092 20 0 GGADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233040 599221822 /nfs/dbraw/zinc/22/18/22/599221822.db2.gz HAUCZBLGMVFBME-SUMWQHHRSA-N -1 3 381.436 3.147 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2ccccn2)c1 ZINC000823009297 599221854 /nfs/dbraw/zinc/22/18/54/599221854.db2.gz CLNNVWVJUCLTCG-UHFFFAOYSA-N -1 3 387.403 3.105 20 0 GGADHM CC(C)C[C@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735758252 599218849 /nfs/dbraw/zinc/21/88/49/599218849.db2.gz YUWUTHDAGVVVGV-IBGZPJMESA-N -1 3 379.464 3.192 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000736185800 599223108 /nfs/dbraw/zinc/22/31/08/599223108.db2.gz VWWYNIKMRHJRIP-KBXCAEBGSA-N -1 3 377.448 3.292 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000736185800 599223110 /nfs/dbraw/zinc/22/31/10/599223110.db2.gz VWWYNIKMRHJRIP-KBXCAEBGSA-N -1 3 377.448 3.292 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736181790 599225841 /nfs/dbraw/zinc/22/58/41/599225841.db2.gz ALRZSZPHFMEGPG-OAHLLOKOSA-N -1 3 379.464 3.019 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000736181790 599225842 /nfs/dbraw/zinc/22/58/42/599225842.db2.gz ALRZSZPHFMEGPG-OAHLLOKOSA-N -1 3 379.464 3.019 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000738271087 599225871 /nfs/dbraw/zinc/22/58/71/599225871.db2.gz RXVZAXVDPIEJBC-KDOFPFPSSA-N -1 3 390.447 3.459 20 0 GGADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000738271087 599225873 /nfs/dbraw/zinc/22/58/73/599225873.db2.gz RXVZAXVDPIEJBC-KDOFPFPSSA-N -1 3 390.447 3.459 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000818478187 596932321 /nfs/dbraw/zinc/93/23/21/596932321.db2.gz FXPKBLHDGDXSMP-UHFFFAOYSA-N -1 3 381.476 3.442 20 0 GGADHM C[C@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820275125 599230341 /nfs/dbraw/zinc/23/03/41/599230341.db2.gz OEUMZEVAQORXQJ-LLVKDONJSA-N -1 3 388.884 3.274 20 0 GGADHM C[C@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820275125 599230344 /nfs/dbraw/zinc/23/03/44/599230344.db2.gz OEUMZEVAQORXQJ-LLVKDONJSA-N -1 3 388.884 3.274 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCCc2ccccc21 ZINC000736171476 599230416 /nfs/dbraw/zinc/23/04/16/599230416.db2.gz WLENXHNVYDCOLW-OAHLLOKOSA-N -1 3 377.448 3.394 20 0 GGADHM S=C(NCc1ccc(-c2cccnc2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000823732228 599232223 /nfs/dbraw/zinc/23/22/23/599232223.db2.gz JLOAXNHURIFTFL-UHFFFAOYSA-N -1 3 387.472 3.415 20 0 GGADHM S=C(NCc1ccc(-c2cccnc2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000823732228 599232225 /nfs/dbraw/zinc/23/22/25/599232225.db2.gz JLOAXNHURIFTFL-UHFFFAOYSA-N -1 3 387.472 3.415 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736353655 599232802 /nfs/dbraw/zinc/23/28/02/599232802.db2.gz PEYOQAIAONAKRP-FUHWJXTLSA-N -1 3 393.491 3.422 20 0 GGADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736353655 599232805 /nfs/dbraw/zinc/23/28/05/599232805.db2.gz PEYOQAIAONAKRP-FUHWJXTLSA-N -1 3 393.491 3.422 20 0 GGADHM COc1cccc(-c2ccc(CNC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737121456 599226745 /nfs/dbraw/zinc/22/67/45/599226745.db2.gz ZBPUTIXHWZONDM-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM COc1cccc(-c2ccc(CNC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737121456 599226747 /nfs/dbraw/zinc/22/67/47/599226747.db2.gz ZBPUTIXHWZONDM-UHFFFAOYSA-N -1 3 385.427 3.472 20 0 GGADHM O=C(Nc1ccccc1OC(F)(F)F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823372625 607263364 /nfs/dbraw/zinc/26/33/64/607263364.db2.gz IAUHPTFPBRHKDR-UHFFFAOYSA-N -1 3 384.705 3.066 20 0 GGADHM O=C(Nc1ccccc1OC(F)(F)F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823372625 607263365 /nfs/dbraw/zinc/26/33/65/607263365.db2.gz IAUHPTFPBRHKDR-UHFFFAOYSA-N -1 3 384.705 3.066 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736233037 599226998 /nfs/dbraw/zinc/22/69/98/599226998.db2.gz DXJOHESZCSAIIY-FXHACXQTSA-N -1 3 397.866 3.412 20 0 GGADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736233037 599227001 /nfs/dbraw/zinc/22/70/01/599227001.db2.gz DXJOHESZCSAIIY-FXHACXQTSA-N -1 3 397.866 3.412 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736233042 599227129 /nfs/dbraw/zinc/22/71/29/599227129.db2.gz DXJOHESZCSAIIY-RNRVQEDPSA-N -1 3 397.866 3.412 20 0 GGADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736233042 599227131 /nfs/dbraw/zinc/22/71/31/599227131.db2.gz DXJOHESZCSAIIY-RNRVQEDPSA-N -1 3 397.866 3.412 20 0 GGADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000738270751 599227472 /nfs/dbraw/zinc/22/74/72/599227472.db2.gz WWHRRWYCVKTIGT-UHFFFAOYSA-N -1 3 379.317 3.211 20 0 GGADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000738270751 599227476 /nfs/dbraw/zinc/22/74/76/599227476.db2.gz WWHRRWYCVKTIGT-UHFFFAOYSA-N -1 3 379.317 3.211 20 0 GGADHM C[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820395988 607264185 /nfs/dbraw/zinc/26/41/85/607264185.db2.gz BAPMEHVCHNDLBK-NSHDSACASA-N -1 3 391.353 3.299 20 0 GGADHM C[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820395988 607264186 /nfs/dbraw/zinc/26/41/86/607264186.db2.gz BAPMEHVCHNDLBK-NSHDSACASA-N -1 3 391.353 3.299 20 0 GGADHM Cc1nc(SCC(=O)N2CCCC[C@@H]2C(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000737482560 599228083 /nfs/dbraw/zinc/22/80/83/599228083.db2.gz IJDULZMLLPWZMP-OAHLLOKOSA-N -1 3 388.541 3.316 20 0 GGADHM Cc1nc(SCC(=O)N2CCCC[C@@H]2C(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000737482560 599228084 /nfs/dbraw/zinc/22/80/84/599228084.db2.gz IJDULZMLLPWZMP-OAHLLOKOSA-N -1 3 388.541 3.316 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821889466 599228907 /nfs/dbraw/zinc/22/89/07/599228907.db2.gz BSAVMLOLHRPKBR-ZDUSSCGKSA-N -1 3 382.493 3.135 20 0 GGADHM COc1ccccc1C[C@H](C)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821889466 599228909 /nfs/dbraw/zinc/22/89/09/599228909.db2.gz BSAVMLOLHRPKBR-ZDUSSCGKSA-N -1 3 382.493 3.135 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3)[C@H](C)CO2)c1 ZINC000737323193 599229147 /nfs/dbraw/zinc/22/91/47/599229147.db2.gz QDRAWGKXECWTDZ-DNVCBOLYSA-N -1 3 377.448 3.086 20 0 GGADHM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3)[C@H](C)CO2)c1 ZINC000737323193 599229149 /nfs/dbraw/zinc/22/91/49/599229149.db2.gz QDRAWGKXECWTDZ-DNVCBOLYSA-N -1 3 377.448 3.086 20 0 GGADHM Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cccc1-c1nnn[n-]1 ZINC000822107783 607268222 /nfs/dbraw/zinc/26/82/22/607268222.db2.gz DAWMDTPVOKCBAC-MEDUHNTESA-N -1 3 376.420 3.022 20 0 GGADHM Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cccc1-c1nn[n-]n1 ZINC000822107783 607268223 /nfs/dbraw/zinc/26/82/23/607268223.db2.gz DAWMDTPVOKCBAC-MEDUHNTESA-N -1 3 376.420 3.022 20 0 GGADHM CC(C)Oc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735912584 599234719 /nfs/dbraw/zinc/23/47/19/599234719.db2.gz FLRSHXSUHZJFJI-UHFFFAOYSA-N -1 3 394.840 3.075 20 0 GGADHM CC(C)Oc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735912584 599234721 /nfs/dbraw/zinc/23/47/21/599234721.db2.gz FLRSHXSUHZJFJI-UHFFFAOYSA-N -1 3 394.840 3.075 20 0 GGADHM CCC[C@]1(C)CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000821026961 599234810 /nfs/dbraw/zinc/23/48/10/599234810.db2.gz INCUIJCHPAKGND-MRXNPFEDSA-N -1 3 383.905 3.111 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737924210 599234807 /nfs/dbraw/zinc/23/48/07/599234807.db2.gz CWZQJDVQKRJKNT-UHFFFAOYSA-N -1 3 397.410 3.345 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737924210 599234809 /nfs/dbraw/zinc/23/48/09/599234809.db2.gz CWZQJDVQKRJKNT-UHFFFAOYSA-N -1 3 397.410 3.345 20 0 GGADHM Cc1c(NC(=O)CCCc2nnc(-c3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000822067371 607268692 /nfs/dbraw/zinc/26/86/92/607268692.db2.gz JFCLXNWYDUWVME-UHFFFAOYSA-N -1 3 389.419 3.187 20 0 GGADHM Cc1c(NC(=O)CCCc2nnc(-c3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000822067371 607268693 /nfs/dbraw/zinc/26/86/93/607268693.db2.gz JFCLXNWYDUWVME-UHFFFAOYSA-N -1 3 389.419 3.187 20 0 GGADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1Cl ZINC000823216102 599236563 /nfs/dbraw/zinc/23/65/63/599236563.db2.gz ZZOCOWHBXMIOIM-UHFFFAOYSA-N -1 3 393.234 3.374 20 0 GGADHM COc1ccc(-c2cncc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c2)cc1 ZINC000821732357 607266581 /nfs/dbraw/zinc/26/65/81/607266581.db2.gz NICGGPLLYDTXDZ-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM COc1ccc(-c2cncc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c2)cc1 ZINC000821732357 607266582 /nfs/dbraw/zinc/26/65/82/607266582.db2.gz NICGGPLLYDTXDZ-UHFFFAOYSA-N -1 3 386.415 3.498 20 0 GGADHM Cc1c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)cccc1-c1nnn[n-]1 ZINC000822109512 607267207 /nfs/dbraw/zinc/26/72/07/607267207.db2.gz ROTIAUMEDARTOB-UHFFFAOYSA-N -1 3 383.843 3.076 20 0 GGADHM Cc1c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)cccc1-c1nn[n-]n1 ZINC000822109512 607267208 /nfs/dbraw/zinc/26/72/08/607267208.db2.gz ROTIAUMEDARTOB-UHFFFAOYSA-N -1 3 383.843 3.076 20 0 GGADHM C[C@H](NC(=O)NCC(C)(C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117233 599238964 /nfs/dbraw/zinc/23/89/64/599238964.db2.gz IQYZYPFFPPGYGN-HNNXBMFYSA-N -1 3 378.480 3.496 20 0 GGADHM C[C@H](NC(=O)NCC(C)(C)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117233 599238965 /nfs/dbraw/zinc/23/89/65/599238965.db2.gz IQYZYPFFPPGYGN-HNNXBMFYSA-N -1 3 378.480 3.496 20 0 GGADHM CCCCCN(CCCCC)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821055517 607272495 /nfs/dbraw/zinc/27/24/95/607272495.db2.gz BRTTYIPWBWFDSF-UHFFFAOYSA-N -1 3 386.500 3.323 20 0 GGADHM CCc1ccc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736692015 599241541 /nfs/dbraw/zinc/24/15/41/599241541.db2.gz QSTAMRZAWHPUHA-LJQANCHMSA-N -1 3 377.448 3.141 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000736638239 599241724 /nfs/dbraw/zinc/24/17/24/599241724.db2.gz YOPNZWDPUKKPSO-STQMWFEESA-N -1 3 376.486 3.061 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000736638239 599241725 /nfs/dbraw/zinc/24/17/25/599241725.db2.gz YOPNZWDPUKKPSO-STQMWFEESA-N -1 3 376.486 3.061 20 0 GGADHM Cc1nc(C)c(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826324207 607835283 /nfs/dbraw/zinc/83/52/83/607835283.db2.gz IMCQPZZESWHTER-UHFFFAOYSA-N -1 3 383.264 3.177 20 0 GGADHM Cc1nc(C)c(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826324207 607835284 /nfs/dbraw/zinc/83/52/84/607835284.db2.gz IMCQPZZESWHTER-UHFFFAOYSA-N -1 3 383.264 3.177 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1Cc2ccccc2C1 ZINC000735875679 599243346 /nfs/dbraw/zinc/24/33/46/599243346.db2.gz ZJWHISSRPXZKNH-UHFFFAOYSA-N -1 3 390.491 3.202 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1Cc2ccccc2C1 ZINC000735875679 599243347 /nfs/dbraw/zinc/24/33/47/599243347.db2.gz ZJWHISSRPXZKNH-UHFFFAOYSA-N -1 3 390.491 3.202 20 0 GGADHM CCCCCN(CCCCC)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821055517 607272494 /nfs/dbraw/zinc/27/24/94/607272494.db2.gz BRTTYIPWBWFDSF-UHFFFAOYSA-N -1 3 386.500 3.323 20 0 GGADHM O=C([O-])c1ccc(CNC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000244216643 597164253 /nfs/dbraw/zinc/16/42/53/597164253.db2.gz VXJKPZBQAZAAPE-UHFFFAOYSA-N -1 3 383.517 3.014 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821717571 599248095 /nfs/dbraw/zinc/24/80/95/599248095.db2.gz QVIJIYQTJWRQCA-UHFFFAOYSA-N -1 3 390.806 3.298 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821717571 599248097 /nfs/dbraw/zinc/24/80/97/599248097.db2.gz QVIJIYQTJWRQCA-UHFFFAOYSA-N -1 3 390.806 3.298 20 0 GGADHM Cc1ccccc1CN1CCCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000738324347 597202780 /nfs/dbraw/zinc/20/27/80/597202780.db2.gz SBROKPGLJNVSIV-UHFFFAOYSA-N -1 3 381.476 3.362 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1ccccc1F ZINC000820268361 599248603 /nfs/dbraw/zinc/24/86/03/599248603.db2.gz AJBCZMZYOBOQSH-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1ccccc1F ZINC000820268361 599248606 /nfs/dbraw/zinc/24/86/06/599248606.db2.gz AJBCZMZYOBOQSH-JTQLQIEISA-N -1 3 390.806 3.248 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000822089783 607282929 /nfs/dbraw/zinc/28/29/29/607282929.db2.gz GSMKAGMWFHCWRH-ROUUACIJSA-N -1 3 378.436 3.217 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC000822089783 607282930 /nfs/dbraw/zinc/28/29/30/607282930.db2.gz GSMKAGMWFHCWRH-ROUUACIJSA-N -1 3 378.436 3.217 20 0 GGADHM C[C@@H](NC(=O)Nc1nc2c(s1)CCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820380592 599249678 /nfs/dbraw/zinc/24/96/78/599249678.db2.gz XCFUWKYWKYZAPQ-LLVKDONJSA-N -1 3 383.481 3.475 20 0 GGADHM C[C@@H](NC(=O)Nc1nc2c(s1)CCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820380592 599249679 /nfs/dbraw/zinc/24/96/79/599249679.db2.gz XCFUWKYWKYZAPQ-LLVKDONJSA-N -1 3 383.481 3.475 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000736167370 599251097 /nfs/dbraw/zinc/25/10/97/599251097.db2.gz FMHFHJZZPDSWGY-PXAZEXFGSA-N -1 3 383.839 3.261 20 0 GGADHM Cc1c(NC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cccc1-c1nnn[n-]1 ZINC000822077307 607280761 /nfs/dbraw/zinc/28/07/61/607280761.db2.gz UMGVWFYIBJDYKP-QYSRSOONSA-N -1 3 398.492 3.137 20 0 GGADHM Cc1c(NC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cccc1-c1nn[n-]n1 ZINC000822077307 607280762 /nfs/dbraw/zinc/28/07/62/607280762.db2.gz UMGVWFYIBJDYKP-QYSRSOONSA-N -1 3 398.492 3.137 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822083984 607281405 /nfs/dbraw/zinc/28/14/05/607281405.db2.gz GIPNZBRMQXYSGB-FZKQIMNGSA-N -1 3 378.436 3.169 20 0 GGADHM Cc1c(NC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822083984 607281406 /nfs/dbraw/zinc/28/14/06/607281406.db2.gz GIPNZBRMQXYSGB-FZKQIMNGSA-N -1 3 378.436 3.169 20 0 GGADHM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821170562 607281731 /nfs/dbraw/zinc/28/17/31/607281731.db2.gz SNLZKNXQRVTAHP-SFHVURJKSA-N -1 3 380.452 3.071 20 0 GGADHM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821170562 607281732 /nfs/dbraw/zinc/28/17/32/607281732.db2.gz SNLZKNXQRVTAHP-SFHVURJKSA-N -1 3 380.452 3.071 20 0 GGADHM COc1ccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(Cl)c1 ZINC000821790487 607282194 /nfs/dbraw/zinc/28/21/94/607282194.db2.gz OXXXQAMRBADAPP-UHFFFAOYSA-N -1 3 386.843 3.201 20 0 GGADHM COc1ccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(Cl)c1 ZINC000821790487 607282195 /nfs/dbraw/zinc/28/21/95/607282195.db2.gz OXXXQAMRBADAPP-UHFFFAOYSA-N -1 3 386.843 3.201 20 0 GGADHM Cc1c(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084986 607288095 /nfs/dbraw/zinc/28/80/95/607288095.db2.gz UWDFGJSPHPREJE-GOSISDBHSA-N -1 3 378.436 3.171 20 0 GGADHM Cc1c(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084986 607288096 /nfs/dbraw/zinc/28/80/96/607288096.db2.gz UWDFGJSPHPREJE-GOSISDBHSA-N -1 3 378.436 3.171 20 0 GGADHM CC(C)(C)OCc1ccccc1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824119821 608325384 /nfs/dbraw/zinc/32/53/84/608325384.db2.gz QXXHNRYUWNABKD-UHFFFAOYSA-N -1 3 394.431 3.222 20 0 GGADHM CC(C)(C)OCc1ccccc1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824119821 608325386 /nfs/dbraw/zinc/32/53/86/608325386.db2.gz QXXHNRYUWNABKD-UHFFFAOYSA-N -1 3 394.431 3.222 20 0 GGADHM O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000819617773 597321807 /nfs/dbraw/zinc/32/18/07/597321807.db2.gz BSJPHUVQJAIVJJ-LJQANCHMSA-N -1 3 381.476 3.490 20 0 GGADHM CC(C)(CNC(=O)Nc1ccccc1CC(=O)[O-])N1CCc2ccccc2C1 ZINC000817841985 597323998 /nfs/dbraw/zinc/32/39/98/597323998.db2.gz CVLSFHIUBZGFAB-UHFFFAOYSA-N -1 3 381.476 3.272 20 0 GGADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000737090086 599255688 /nfs/dbraw/zinc/25/56/88/599255688.db2.gz ANXOMWWGXPQBKI-UHFFFAOYSA-N -1 3 382.374 3.338 20 0 GGADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000737090086 599255690 /nfs/dbraw/zinc/25/56/90/599255690.db2.gz ANXOMWWGXPQBKI-UHFFFAOYSA-N -1 3 382.374 3.338 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818378504 597328047 /nfs/dbraw/zinc/32/80/47/597328047.db2.gz WQJLJGHXMUWFCN-UHFFFAOYSA-N -1 3 391.418 3.188 20 0 GGADHM Cc1c(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cccc1-c1nnn[n-]1 ZINC000822092742 607283340 /nfs/dbraw/zinc/28/33/40/607283340.db2.gz YXAAZNWHMJMALQ-OAHLLOKOSA-N -1 3 384.827 3.474 20 0 GGADHM Cc1c(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cccc1-c1nn[n-]n1 ZINC000822092742 607283341 /nfs/dbraw/zinc/28/33/41/607283341.db2.gz YXAAZNWHMJMALQ-OAHLLOKOSA-N -1 3 384.827 3.474 20 0 GGADHM Cc1c(NC(=O)NCCCn2ccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822095313 607283491 /nfs/dbraw/zinc/28/34/91/607283491.db2.gz CVRBUDLASIBHCP-UHFFFAOYSA-N -1 3 375.436 3.342 20 0 GGADHM Cc1c(NC(=O)NCCCn2ccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822095313 607283492 /nfs/dbraw/zinc/28/34/92/607283492.db2.gz CVRBUDLASIBHCP-UHFFFAOYSA-N -1 3 375.436 3.342 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)cccc1-c1nnn[n-]1 ZINC000822077873 607283931 /nfs/dbraw/zinc/28/39/31/607283931.db2.gz ZVKGVJJJMPULDW-UHFFFAOYSA-N -1 3 388.435 3.229 20 0 GGADHM Cc1c(NC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)cccc1-c1nn[n-]n1 ZINC000822077873 607283932 /nfs/dbraw/zinc/28/39/32/607283932.db2.gz ZVKGVJJJMPULDW-UHFFFAOYSA-N -1 3 388.435 3.229 20 0 GGADHM CC(=O)Nc1c(C)ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000819810243 599256780 /nfs/dbraw/zinc/25/67/80/599256780.db2.gz CTGGRCOVLSZZDX-CYBMUJFWSA-N -1 3 393.451 3.325 20 0 GGADHM CC(=O)Nc1c(C)ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000819810243 599256782 /nfs/dbraw/zinc/25/67/82/599256782.db2.gz CTGGRCOVLSZZDX-CYBMUJFWSA-N -1 3 393.451 3.325 20 0 GGADHM CCCOc1cc(C)ccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821127345 599257350 /nfs/dbraw/zinc/25/73/50/599257350.db2.gz GFXIJPVZKSEMQI-UHFFFAOYSA-N -1 3 396.451 3.164 20 0 GGADHM Cc1nc2ccccc2n1CCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822097540 607285146 /nfs/dbraw/zinc/28/51/46/607285146.db2.gz ZUCFULDUEXLJDQ-UHFFFAOYSA-N -1 3 390.451 3.045 20 0 GGADHM Cc1nc2ccccc2n1CCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822097540 607285147 /nfs/dbraw/zinc/28/51/47/607285147.db2.gz ZUCFULDUEXLJDQ-UHFFFAOYSA-N -1 3 390.451 3.045 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000821778126 607286340 /nfs/dbraw/zinc/28/63/40/607286340.db2.gz UWQGYINQLXHVGS-GFCCVEGCSA-N -1 3 382.424 3.075 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000821778126 607286341 /nfs/dbraw/zinc/28/63/41/607286341.db2.gz UWQGYINQLXHVGS-GFCCVEGCSA-N -1 3 382.424 3.075 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000821694014 607286398 /nfs/dbraw/zinc/28/63/98/607286398.db2.gz ZFVHINUOZSIDCF-UHFFFAOYSA-N -1 3 382.424 3.153 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000821694014 607286399 /nfs/dbraw/zinc/28/63/99/607286399.db2.gz ZFVHINUOZSIDCF-UHFFFAOYSA-N -1 3 382.424 3.153 20 0 GGADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821221511 607287065 /nfs/dbraw/zinc/28/70/65/607287065.db2.gz JLXMMYALNOZFHT-UHFFFAOYSA-N -1 3 396.451 3.246 20 0 GGADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821221511 607287066 /nfs/dbraw/zinc/28/70/66/607287066.db2.gz JLXMMYALNOZFHT-UHFFFAOYSA-N -1 3 396.451 3.246 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cccc1-c1nnn[n-]1 ZINC000822091320 607290910 /nfs/dbraw/zinc/29/09/10/607290910.db2.gz PTRGVDZAZHMSID-IBGZPJMESA-N -1 3 385.431 3.481 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cccc1-c1nn[n-]n1 ZINC000822091320 607290911 /nfs/dbraw/zinc/29/09/11/607290911.db2.gz PTRGVDZAZHMSID-IBGZPJMESA-N -1 3 385.431 3.481 20 0 GGADHM Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822422587 599258440 /nfs/dbraw/zinc/25/84/40/599258440.db2.gz AHOAGRCGGNMTGM-NSHDSACASA-N -1 3 390.407 3.108 20 0 GGADHM Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822422587 599258442 /nfs/dbraw/zinc/25/84/42/599258442.db2.gz AHOAGRCGGNMTGM-NSHDSACASA-N -1 3 390.407 3.108 20 0 GGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1Cl ZINC000821676967 607293147 /nfs/dbraw/zinc/29/31/47/607293147.db2.gz KYIKBLALGPJKGW-INIZCTEOSA-N -1 3 386.843 3.338 20 0 GGADHM CO[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1Cl ZINC000821676967 607293148 /nfs/dbraw/zinc/29/31/48/607293148.db2.gz KYIKBLALGPJKGW-INIZCTEOSA-N -1 3 386.843 3.338 20 0 GGADHM CCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736689509 599259574 /nfs/dbraw/zinc/25/95/74/599259574.db2.gz YGRXOQCATIKEFC-GUYCJALGSA-N -1 3 381.436 3.153 20 0 GGADHM CN(Cc1ccc2c(c1)OCO2)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000736820008 599259653 /nfs/dbraw/zinc/25/96/53/599259653.db2.gz HZBBHOMYMQIJSL-UHFFFAOYSA-N -1 3 394.822 3.433 20 0 GGADHM CN(Cc1ccc2c(c1)OCO2)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000736820008 599259656 /nfs/dbraw/zinc/25/96/56/599259656.db2.gz HZBBHOMYMQIJSL-UHFFFAOYSA-N -1 3 394.822 3.433 20 0 GGADHM COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821871544 599259908 /nfs/dbraw/zinc/25/99/08/599259908.db2.gz ALUIHTVRVQSEAN-RYUDHWBXSA-N -1 3 384.415 3.136 20 0 GGADHM COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821871544 599259910 /nfs/dbraw/zinc/25/99/10/599259910.db2.gz ALUIHTVRVQSEAN-RYUDHWBXSA-N -1 3 384.415 3.136 20 0 GGADHM Cc1c(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cccc1-c1nnn[n-]1 ZINC000822060452 607296335 /nfs/dbraw/zinc/29/63/35/607296335.db2.gz HSBJLCAHCQQUHY-UHFFFAOYSA-N -1 3 381.411 3.001 20 0 GGADHM Cc1c(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cccc1-c1nn[n-]n1 ZINC000822060452 607296336 /nfs/dbraw/zinc/29/63/36/607296336.db2.gz HSBJLCAHCQQUHY-UHFFFAOYSA-N -1 3 381.411 3.001 20 0 GGADHM O=C(N[C@@H]1CCCC[C@H]1O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823150601 607297715 /nfs/dbraw/zinc/29/77/15/607297715.db2.gz QRXIELXVQGMBHH-HZPDHXFCSA-N -1 3 395.488 3.051 20 0 GGADHM O=C(N[C@@H]1CCCC[C@H]1O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823150601 607297716 /nfs/dbraw/zinc/29/77/16/607297716.db2.gz QRXIELXVQGMBHH-HZPDHXFCSA-N -1 3 395.488 3.051 20 0 GGADHM CC1(C)C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820589833 607298008 /nfs/dbraw/zinc/29/80/08/607298008.db2.gz NLECFFJZUGHXND-QGZVFWFLSA-N -1 3 380.427 3.228 20 0 GGADHM CC1(C)C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820589833 607298009 /nfs/dbraw/zinc/29/80/09/607298009.db2.gz NLECFFJZUGHXND-QGZVFWFLSA-N -1 3 380.427 3.228 20 0 GGADHM C[C@H](c1ccccc1)N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820563677 607298197 /nfs/dbraw/zinc/29/81/97/607298197.db2.gz SURPQXIAGDHNGF-OAHLLOKOSA-N -1 3 392.463 3.195 20 0 GGADHM C[C@H](c1ccccc1)N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820563677 607298198 /nfs/dbraw/zinc/29/81/98/607298198.db2.gz SURPQXIAGDHNGF-OAHLLOKOSA-N -1 3 392.463 3.195 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS[C@H](C(C)C)C1 ZINC000820151040 599260897 /nfs/dbraw/zinc/26/08/97/599260897.db2.gz AQSJESUZPICIDX-INIZCTEOSA-N -1 3 390.513 3.259 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS[C@H](C(C)C)C1 ZINC000820151040 599260898 /nfs/dbraw/zinc/26/08/98/599260898.db2.gz AQSJESUZPICIDX-INIZCTEOSA-N -1 3 390.513 3.259 20 0 GGADHM Cc1ccc(O[C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822259129 599260900 /nfs/dbraw/zinc/26/09/00/599260900.db2.gz NKMIPUVVYOEMMI-CABCVRRESA-N -1 3 380.452 3.003 20 0 GGADHM Cc1ccc(O[C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822259129 599260901 /nfs/dbraw/zinc/26/09/01/599260901.db2.gz NKMIPUVVYOEMMI-CABCVRRESA-N -1 3 380.452 3.003 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820220099 607300276 /nfs/dbraw/zinc/30/02/76/607300276.db2.gz NJKXFHUGKZWAFP-GFCCVEGCSA-N -1 3 382.855 3.356 20 0 GGADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820220099 607300277 /nfs/dbraw/zinc/30/02/77/607300277.db2.gz NJKXFHUGKZWAFP-GFCCVEGCSA-N -1 3 382.855 3.356 20 0 GGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823149667 607300814 /nfs/dbraw/zinc/30/08/14/607300814.db2.gz FWQOPVKZMWMRST-PBHICJAKSA-N -1 3 396.882 3.446 20 0 GGADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823149667 607300815 /nfs/dbraw/zinc/30/08/15/607300815.db2.gz FWQOPVKZMWMRST-PBHICJAKSA-N -1 3 396.882 3.446 20 0 GGADHM CC[C@H]1CCCCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820978845 607301434 /nfs/dbraw/zinc/30/14/34/607301434.db2.gz DGOKKTLHQRHGQY-HNNXBMFYSA-N -1 3 384.484 3.157 20 0 GGADHM CC[C@H]1CCCCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820978845 607301435 /nfs/dbraw/zinc/30/14/35/607301435.db2.gz DGOKKTLHQRHGQY-HNNXBMFYSA-N -1 3 384.484 3.157 20 0 GGADHM CC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820919492 607301590 /nfs/dbraw/zinc/30/15/90/607301590.db2.gz DIBBJBUHGLLBRK-CYBMUJFWSA-N -1 3 378.770 3.074 20 0 GGADHM CC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820919492 607301591 /nfs/dbraw/zinc/30/15/91/607301591.db2.gz DIBBJBUHGLLBRK-CYBMUJFWSA-N -1 3 378.770 3.074 20 0 GGADHM C[C@H]1CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC[C@@H]1c1ccccc1 ZINC000820743178 607301611 /nfs/dbraw/zinc/30/16/11/607301611.db2.gz RRERMYFRTOUTGD-WFASDCNBSA-N -1 3 382.855 3.181 20 0 GGADHM C[C@H]1CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC[C@@H]1c1ccccc1 ZINC000820743178 607301612 /nfs/dbraw/zinc/30/16/12/607301612.db2.gz RRERMYFRTOUTGD-WFASDCNBSA-N -1 3 382.855 3.181 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccn(C2CCCC2)n1 ZINC000822204045 607307292 /nfs/dbraw/zinc/30/72/92/607307292.db2.gz BIVYHXQGVYNZGO-UHFFFAOYSA-N -1 3 392.442 3.208 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccn(C2CCCC2)n1 ZINC000822204045 607307293 /nfs/dbraw/zinc/30/72/93/607307293.db2.gz BIVYHXQGVYNZGO-UHFFFAOYSA-N -1 3 392.442 3.208 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000820151905 599263730 /nfs/dbraw/zinc/26/37/30/599263730.db2.gz QHXFXUNUCWANBW-DLBZAZTESA-N -1 3 392.463 3.407 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000820151905 599263732 /nfs/dbraw/zinc/26/37/32/599263732.db2.gz QHXFXUNUCWANBW-DLBZAZTESA-N -1 3 392.463 3.407 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821890944 599263868 /nfs/dbraw/zinc/26/38/68/599263868.db2.gz SNDPDDIXYQIEAU-HUUCEWRRSA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821890944 599263869 /nfs/dbraw/zinc/26/38/69/599263869.db2.gz SNDPDDIXYQIEAU-HUUCEWRRSA-N -1 3 394.479 3.209 20 0 GGADHM COc1ccc(OC)c(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000737110254 599264468 /nfs/dbraw/zinc/26/44/68/599264468.db2.gz UWTLHQXRSLBZBT-UHFFFAOYSA-N -1 3 396.838 3.120 20 0 GGADHM COc1ccc(OC)c(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000737110254 599264470 /nfs/dbraw/zinc/26/44/70/599264470.db2.gz UWTLHQXRSLBZBT-UHFFFAOYSA-N -1 3 396.838 3.120 20 0 GGADHM CCN(CCCO)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821207337 599264581 /nfs/dbraw/zinc/26/45/81/599264581.db2.gz LJKRIZOJPJONIX-UHFFFAOYSA-N -1 3 396.451 3.204 20 0 GGADHM CCN(CCCO)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821207337 599264583 /nfs/dbraw/zinc/26/45/83/599264583.db2.gz LJKRIZOJPJONIX-UHFFFAOYSA-N -1 3 396.451 3.204 20 0 GGADHM c1nn2c(c1-c1nnn[n-]1)NC[C@@H](CNc1ccc(SC3CCCC3)cc1)C2 ZINC000823762167 607310386 /nfs/dbraw/zinc/31/03/86/607310386.db2.gz LCGGSLOBCVTWGY-CYBMUJFWSA-N -1 3 396.524 3.252 20 0 GGADHM c1nn2c(c1-c1nn[n-]n1)NC[C@@H](CNc1ccc(SC3CCCC3)cc1)C2 ZINC000823762167 607310387 /nfs/dbraw/zinc/31/03/87/607310387.db2.gz LCGGSLOBCVTWGY-CYBMUJFWSA-N -1 3 396.524 3.252 20 0 GGADHM CC(C)c1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(C(C)C)c1 ZINC000820192454 607312027 /nfs/dbraw/zinc/31/20/27/607312027.db2.gz OOMWKVRDEDWKHB-CQSZACIVSA-N -1 3 380.500 3.464 20 0 GGADHM CC(C)c1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(C(C)C)c1 ZINC000820192454 607312028 /nfs/dbraw/zinc/31/20/28/607312028.db2.gz OOMWKVRDEDWKHB-CQSZACIVSA-N -1 3 380.500 3.464 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Cc1cccs1 ZINC000821406535 599264710 /nfs/dbraw/zinc/26/47/10/599264710.db2.gz HNTSWQIHOMNDHZ-GFCCVEGCSA-N -1 3 386.481 3.327 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2NCc2ccc(-c3nnn[n-]3)s2)C[C@@H](C)O1 ZINC000820759367 607312163 /nfs/dbraw/zinc/31/21/63/607312163.db2.gz JYSWNOUBRYNGSF-ZIAGYGMSSA-N -1 3 384.509 3.150 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Cc1cccs1 ZINC000821406535 599264712 /nfs/dbraw/zinc/26/47/12/599264712.db2.gz HNTSWQIHOMNDHZ-GFCCVEGCSA-N -1 3 386.481 3.327 20 0 GGADHM c1nn2c(c1-c1nnn[n-]1)NC[C@@H](CNc1ccccc1SC1CCCC1)C2 ZINC000823791430 607313555 /nfs/dbraw/zinc/31/35/55/607313555.db2.gz CTRAXMMDMRZINV-CYBMUJFWSA-N -1 3 396.524 3.252 20 0 GGADHM c1nn2c(c1-c1nn[n-]n1)NC[C@@H](CNc1ccccc1SC1CCCC1)C2 ZINC000823791430 607313556 /nfs/dbraw/zinc/31/35/56/607313556.db2.gz CTRAXMMDMRZINV-CYBMUJFWSA-N -1 3 396.524 3.252 20 0 GGADHM COc1ccc(CNc2cccc(C(=O)N3CCCC3)c2C)cc1-c1nnn[n-]1 ZINC000821821580 607315067 /nfs/dbraw/zinc/31/50/67/607315067.db2.gz LYJVQLPLNVHDKN-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM COc1ccc(CNc2cccc(C(=O)N3CCCC3)c2C)cc1-c1nn[n-]n1 ZINC000821821580 607315068 /nfs/dbraw/zinc/31/50/68/607315068.db2.gz LYJVQLPLNVHDKN-UHFFFAOYSA-N -1 3 392.463 3.032 20 0 GGADHM O[C@H](c1ccccc1)C1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000738385388 599266069 /nfs/dbraw/zinc/26/60/69/599266069.db2.gz IJLRNIJHBNCYLA-OAQYLSRUSA-N -1 3 386.459 3.365 20 0 GGADHM O[C@H](c1ccccc1)C1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000738385388 599266072 /nfs/dbraw/zinc/26/60/72/599266072.db2.gz IJLRNIJHBNCYLA-OAQYLSRUSA-N -1 3 386.459 3.365 20 0 GGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822782937 607317114 /nfs/dbraw/zinc/31/71/14/607317114.db2.gz MPAHFSBACZOQOJ-GFCCVEGCSA-N -1 3 375.429 3.237 20 0 GGADHM COc1ccc(CNc2cc(F)ccc2OC[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000821821402 607317131 /nfs/dbraw/zinc/31/71/31/607317131.db2.gz FUNZLSHEMVYLNU-OAHLLOKOSA-N -1 3 399.426 3.184 20 0 GGADHM COc1ccc(CNc2cc(F)ccc2OC[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000821821402 607317132 /nfs/dbraw/zinc/31/71/32/607317132.db2.gz FUNZLSHEMVYLNU-OAHLLOKOSA-N -1 3 399.426 3.184 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000821407598 599267057 /nfs/dbraw/zinc/26/70/57/599267057.db2.gz UYZCSBQOSZKBCE-YLJYHZDGSA-N -1 3 378.436 3.117 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000821407598 599267058 /nfs/dbraw/zinc/26/70/58/599267058.db2.gz UYZCSBQOSZKBCE-YLJYHZDGSA-N -1 3 378.436 3.117 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC[C@@H](O)c3ccc(Cl)cc3)c2c1 ZINC000737249363 599267501 /nfs/dbraw/zinc/26/75/01/599267501.db2.gz XHHFMVXUXLUYSO-QGZVFWFLSA-N -1 3 394.866 3.253 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC[C@@H](O)c3ccc(Cl)cc3)c2c1 ZINC000737249363 599267503 /nfs/dbraw/zinc/26/75/03/599267503.db2.gz XHHFMVXUXLUYSO-QGZVFWFLSA-N -1 3 394.866 3.253 20 0 GGADHM CCCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1OC ZINC000736490496 599269519 /nfs/dbraw/zinc/26/95/19/599269519.db2.gz MQZCAISBZQKRSO-UHFFFAOYSA-N -1 3 390.447 3.246 20 0 GGADHM CCCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1OC ZINC000736490496 599269521 /nfs/dbraw/zinc/26/95/21/599269521.db2.gz MQZCAISBZQKRSO-UHFFFAOYSA-N -1 3 390.447 3.246 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000822220149 599273026 /nfs/dbraw/zinc/27/30/26/599273026.db2.gz GBHMXZAMNAFFMR-UHFFFAOYSA-N -1 3 397.386 3.015 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000822220149 599273028 /nfs/dbraw/zinc/27/30/28/599273028.db2.gz GBHMXZAMNAFFMR-UHFFFAOYSA-N -1 3 397.386 3.015 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736130005 599273095 /nfs/dbraw/zinc/27/30/95/599273095.db2.gz KSKGSPDRICUMMF-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736130005 599273097 /nfs/dbraw/zinc/27/30/97/599273097.db2.gz KSKGSPDRICUMMF-VIFPVBQESA-N -1 3 398.275 3.213 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737388565 599274392 /nfs/dbraw/zinc/27/43/92/599274392.db2.gz FUJDJZKVBQFURR-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737388565 599274394 /nfs/dbraw/zinc/27/43/94/599274394.db2.gz FUJDJZKVBQFURR-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM Cc1coc(-c2cc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2C)n1 ZINC000822403172 607319601 /nfs/dbraw/zinc/31/96/01/607319601.db2.gz LQWKOAFUQWOSOH-UHFFFAOYSA-N -1 3 386.419 3.398 20 0 GGADHM Cc1coc(-c2cc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2C)n1 ZINC000822403172 607319602 /nfs/dbraw/zinc/31/96/02/607319602.db2.gz LQWKOAFUQWOSOH-UHFFFAOYSA-N -1 3 386.419 3.398 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000736488430 599277530 /nfs/dbraw/zinc/27/75/30/599277530.db2.gz PRSDOSAZZYRSFY-UHFFFAOYSA-N -1 3 393.451 3.208 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000736488360 599277598 /nfs/dbraw/zinc/27/75/98/599277598.db2.gz PUPLLVWFWBKEAH-HNNXBMFYSA-N -1 3 378.436 3.193 20 0 GGADHM CC(C)C(NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000820026916 607319955 /nfs/dbraw/zinc/31/99/55/607319955.db2.gz MZNBWSRIQKSKGQ-UHFFFAOYSA-N -1 3 383.452 3.449 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2oc1=O ZINC000736489023 599278275 /nfs/dbraw/zinc/27/82/75/599278275.db2.gz XNQMEASPEBSVDT-UHFFFAOYSA-N -1 3 390.403 3.047 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000736487883 599279059 /nfs/dbraw/zinc/27/90/59/599279059.db2.gz JKVOIUABKYHUGL-UHFFFAOYSA-N -1 3 375.436 3.351 20 0 GGADHM CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000736685528 599280159 /nfs/dbraw/zinc/28/01/59/599280159.db2.gz MOLVRXGOLJKBEI-INIZCTEOSA-N -1 3 384.415 3.208 20 0 GGADHM CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000736685528 599280162 /nfs/dbraw/zinc/28/01/62/599280162.db2.gz MOLVRXGOLJKBEI-INIZCTEOSA-N -1 3 384.415 3.208 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736611323 599279431 /nfs/dbraw/zinc/27/94/31/599279431.db2.gz JGESWNNLXDDJAL-QZTJIDSGSA-N -1 3 383.496 3.043 20 0 GGADHM CCO[C@@H]1C[C@@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736611323 599279434 /nfs/dbraw/zinc/27/94/34/599279434.db2.gz JGESWNNLXDDJAL-QZTJIDSGSA-N -1 3 383.496 3.043 20 0 GGADHM CC[C@H]1COCCN1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821000844 599281036 /nfs/dbraw/zinc/28/10/36/599281036.db2.gz KEOBMNPERPTVGW-INIZCTEOSA-N -1 3 394.435 3.302 20 0 GGADHM CC[C@H]1COCCN1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821000844 599281039 /nfs/dbraw/zinc/28/10/39/599281039.db2.gz KEOBMNPERPTVGW-INIZCTEOSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Oc2cccnn2)c1 ZINC000737854608 599282636 /nfs/dbraw/zinc/28/26/36/599282636.db2.gz SQVCIEQJJCBUCM-UHFFFAOYSA-N -1 3 387.403 3.020 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2cccnn2)c1 ZINC000737854608 599282638 /nfs/dbraw/zinc/28/26/38/599282638.db2.gz SQVCIEQJJCBUCM-UHFFFAOYSA-N -1 3 387.403 3.020 20 0 GGADHM C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820374963 599282856 /nfs/dbraw/zinc/28/28/56/599282856.db2.gz UPXMTPYCQYDUCZ-NSHDSACASA-N -1 3 385.859 3.469 20 0 GGADHM C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820374963 599282859 /nfs/dbraw/zinc/28/28/59/599282859.db2.gz UPXMTPYCQYDUCZ-NSHDSACASA-N -1 3 385.859 3.469 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H]1CCOc2ccccc21 ZINC000736038099 599285149 /nfs/dbraw/zinc/28/51/49/599285149.db2.gz RXWLVWLZNCQUKP-LSDHHAIUSA-N -1 3 394.431 3.134 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H]1CCOc2ccccc21 ZINC000736038099 599285151 /nfs/dbraw/zinc/28/51/51/599285151.db2.gz RXWLVWLZNCQUKP-LSDHHAIUSA-N -1 3 394.431 3.134 20 0 GGADHM C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190368 599286469 /nfs/dbraw/zinc/28/64/69/599286469.db2.gz DJHOZVWCXXBZKM-ZDUSSCGKSA-N -1 3 393.476 3.260 20 0 GGADHM C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190368 599286472 /nfs/dbraw/zinc/28/64/72/599286472.db2.gz DJHOZVWCXXBZKM-ZDUSSCGKSA-N -1 3 393.476 3.260 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000737064731 599286997 /nfs/dbraw/zinc/28/69/97/599286997.db2.gz YPUXNWANSWZLKT-CYBMUJFWSA-N -1 3 399.480 3.052 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000737064731 599286999 /nfs/dbraw/zinc/28/69/99/599286999.db2.gz YPUXNWANSWZLKT-CYBMUJFWSA-N -1 3 399.480 3.052 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1COc2ccccc21 ZINC000823303103 599287073 /nfs/dbraw/zinc/28/70/73/599287073.db2.gz DNBGMLKPVGZCMN-ZDUSSCGKSA-N -1 3 390.325 3.141 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1COc2ccccc21 ZINC000823303103 599287075 /nfs/dbraw/zinc/28/70/75/599287075.db2.gz DNBGMLKPVGZCMN-ZDUSSCGKSA-N -1 3 390.325 3.141 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)n1 ZINC000737455588 599287870 /nfs/dbraw/zinc/28/78/70/599287870.db2.gz SUDOEJIMKGBYSG-LLVKDONJSA-N -1 3 387.444 3.182 20 0 GGADHM Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)n1 ZINC000737455588 599287871 /nfs/dbraw/zinc/28/78/71/599287871.db2.gz SUDOEJIMKGBYSG-LLVKDONJSA-N -1 3 387.444 3.182 20 0 GGADHM COc1ccc(-n2cnnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737064332 599288730 /nfs/dbraw/zinc/28/87/30/599288730.db2.gz ALRNCPQJIBQEFM-LBPRGKRZSA-N -1 3 379.449 3.309 20 0 GGADHM COc1ccc(-n2cnnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737064332 599288732 /nfs/dbraw/zinc/28/87/32/599288732.db2.gz ALRNCPQJIBQEFM-LBPRGKRZSA-N -1 3 379.449 3.309 20 0 GGADHM Cc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)cc1-c1nnn[n-]1 ZINC000822388789 607330377 /nfs/dbraw/zinc/33/03/77/607330377.db2.gz AWIJXMHMIFKOEO-UHFFFAOYSA-N -1 3 385.225 3.442 20 0 GGADHM Cc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)cc1-c1nn[n-]n1 ZINC000822388789 607330378 /nfs/dbraw/zinc/33/03/78/607330378.db2.gz AWIJXMHMIFKOEO-UHFFFAOYSA-N -1 3 385.225 3.442 20 0 GGADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820220264 607331825 /nfs/dbraw/zinc/33/18/25/607331825.db2.gz PVVWXFZPNLBXFF-HZMBPMFUSA-N -1 3 390.369 3.109 20 0 GGADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820220264 607331826 /nfs/dbraw/zinc/33/18/26/607331826.db2.gz PVVWXFZPNLBXFF-HZMBPMFUSA-N -1 3 390.369 3.109 20 0 GGADHM CCC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000820841698 607333283 /nfs/dbraw/zinc/33/32/83/607333283.db2.gz BYZCZSBOVFYSMV-UHFFFAOYSA-N -1 3 384.827 3.163 20 0 GGADHM CCC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000820841698 607333284 /nfs/dbraw/zinc/33/32/84/607333284.db2.gz BYZCZSBOVFYSMV-UHFFFAOYSA-N -1 3 384.827 3.163 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(O)cc2C)c1-c1nnn[n-]1 ZINC000826231479 607338961 /nfs/dbraw/zinc/33/89/61/607338961.db2.gz NHDLKPJXVJPXSU-UHFFFAOYSA-N -1 3 382.449 3.127 20 0 GGADHM Cc1c([C@@H](C)NCCCCC(=O)[O-])nnn1-c1cccc(Br)c1 ZINC000820945428 598171226 /nfs/dbraw/zinc/17/12/26/598171226.db2.gz ZDUFMUJOQCPTMW-LLVKDONJSA-N -1 3 381.274 3.244 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263485066 598191898 /nfs/dbraw/zinc/19/18/98/598191898.db2.gz PEQBDUQIRGUTAH-OAHLLOKOSA-N -1 3 390.505 3.266 20 0 GGADHM Cn1cc(CNCc2cccc(C(=O)[O-])c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000683176130 598194023 /nfs/dbraw/zinc/19/40/23/598194023.db2.gz HRSUZDFPCDZUDT-UHFFFAOYSA-N -1 3 393.443 3.236 20 0 GGADHM CS(=O)(=O)c1cccc([C@@H](NCCCC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000820899884 598212658 /nfs/dbraw/zinc/21/26/58/598212658.db2.gz IIYLYRDHUOEEFF-SFHVURJKSA-N -1 3 381.881 3.287 20 0 GGADHM C[C@@H](CC(=O)[O-])N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000820072177 598212711 /nfs/dbraw/zinc/21/27/11/598212711.db2.gz OEQVBDWNVZWAQO-SGTLLEGYSA-N -1 3 381.881 3.286 20 0 GGADHM CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736731670 598232048 /nfs/dbraw/zinc/23/20/48/598232048.db2.gz QLTINZSXVNPBLW-UHFFFAOYSA-N -1 3 389.419 3.436 20 0 GGADHM CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736731670 598232049 /nfs/dbraw/zinc/23/20/49/598232049.db2.gz QLTINZSXVNPBLW-UHFFFAOYSA-N -1 3 389.419 3.436 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCC[C@H]1C(C)(C)C ZINC000737034314 598233808 /nfs/dbraw/zinc/23/38/08/598233808.db2.gz ZBUKQABBUZNITK-KRWDZBQOSA-N -1 3 387.484 3.071 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCC[C@H]1C(C)(C)C ZINC000737034314 598233809 /nfs/dbraw/zinc/23/38/09/598233809.db2.gz ZBUKQABBUZNITK-KRWDZBQOSA-N -1 3 387.484 3.071 20 0 GGADHM CSc1ccccc1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737190658 598236385 /nfs/dbraw/zinc/23/63/85/598236385.db2.gz JEINZWYFZTTXCZ-UHFFFAOYSA-N -1 3 395.488 3.272 20 0 GGADHM CSc1ccccc1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737190658 598236387 /nfs/dbraw/zinc/23/63/87/598236387.db2.gz JEINZWYFZTTXCZ-UHFFFAOYSA-N -1 3 395.488 3.272 20 0 GGADHM Cc1cccc(CCC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737391593 598236487 /nfs/dbraw/zinc/23/64/87/598236487.db2.gz FWCLHRFYLQDVGD-UHFFFAOYSA-N -1 3 391.475 3.178 20 0 GGADHM Cc1cccc(CCC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737391593 598236488 /nfs/dbraw/zinc/23/64/88/598236488.db2.gz FWCLHRFYLQDVGD-UHFFFAOYSA-N -1 3 391.475 3.178 20 0 GGADHM Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000737310182 598236636 /nfs/dbraw/zinc/23/66/36/598236636.db2.gz WPXAHROUJNUYPJ-UHFFFAOYSA-N -1 3 377.448 3.167 20 0 GGADHM Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000737310182 598236637 /nfs/dbraw/zinc/23/66/37/598236637.db2.gz WPXAHROUJNUYPJ-UHFFFAOYSA-N -1 3 377.448 3.167 20 0 GGADHM C[C@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736263555 598242275 /nfs/dbraw/zinc/24/22/75/598242275.db2.gz QVZUVEMHQVIOFV-IFXJQAMLSA-N -1 3 377.448 3.364 20 0 GGADHM C[C@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736263555 598242277 /nfs/dbraw/zinc/24/22/77/598242277.db2.gz QVZUVEMHQVIOFV-IFXJQAMLSA-N -1 3 377.448 3.364 20 0 GGADHM Fc1cccc(N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1-c1nnn[n-]1 ZINC000737660483 598244746 /nfs/dbraw/zinc/24/47/46/598244746.db2.gz JYJQYTXNTRTKLC-HNNXBMFYSA-N -1 3 387.422 3.432 20 0 GGADHM Fc1cccc(N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1-c1nn[n-]n1 ZINC000737660483 598244748 /nfs/dbraw/zinc/24/47/48/598244748.db2.gz JYJQYTXNTRTKLC-HNNXBMFYSA-N -1 3 387.422 3.432 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735626368 598246298 /nfs/dbraw/zinc/24/62/98/598246298.db2.gz JBNPQLKQMWIYII-UHFFFAOYSA-N -1 3 376.436 3.065 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735626368 598246299 /nfs/dbraw/zinc/24/62/99/598246299.db2.gz JBNPQLKQMWIYII-UHFFFAOYSA-N -1 3 376.436 3.065 20 0 GGADHM CC(C)(C)c1cnc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000735652475 598248377 /nfs/dbraw/zinc/24/83/77/598248377.db2.gz MMORTKXECBKKQM-UHFFFAOYSA-N -1 3 382.468 3.196 20 0 GGADHM CC(C)(C)c1cnc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000735652475 598248378 /nfs/dbraw/zinc/24/83/78/598248378.db2.gz MMORTKXECBKKQM-UHFFFAOYSA-N -1 3 382.468 3.196 20 0 GGADHM O=C(CNc1cccc(C(=O)c2ccccc2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737900259 598250619 /nfs/dbraw/zinc/25/06/19/598250619.db2.gz YGHBJUYSBNJPBR-UHFFFAOYSA-N -1 3 398.426 3.148 20 0 GGADHM O=C(CNc1cccc(C(=O)c2ccccc2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737900259 598250621 /nfs/dbraw/zinc/25/06/21/598250621.db2.gz YGHBJUYSBNJPBR-UHFFFAOYSA-N -1 3 398.426 3.148 20 0 GGADHM CC(C)c1ccc(C(C)(C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922509 598253474 /nfs/dbraw/zinc/25/34/74/598253474.db2.gz KVSSDFIEXLNFMD-UHFFFAOYSA-N -1 3 385.493 3.204 20 0 GGADHM CC(C)c1ccc(C(C)(C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922509 598253476 /nfs/dbraw/zinc/25/34/76/598253476.db2.gz KVSSDFIEXLNFMD-UHFFFAOYSA-N -1 3 385.493 3.204 20 0 GGADHM CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736329308 598254242 /nfs/dbraw/zinc/25/42/42/598254242.db2.gz JRIMYYJRYURGQS-QWRGUYRKSA-N -1 3 383.905 3.108 20 0 GGADHM CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736329308 598254243 /nfs/dbraw/zinc/25/42/43/598254243.db2.gz JRIMYYJRYURGQS-QWRGUYRKSA-N -1 3 383.905 3.108 20 0 GGADHM CCC(CC)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736341530 598255597 /nfs/dbraw/zinc/25/55/97/598255597.db2.gz CFCJGYWDKUCOHC-UHFFFAOYSA-N -1 3 385.497 3.472 20 0 GGADHM CCC(CC)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736341530 598255598 /nfs/dbraw/zinc/25/55/98/598255598.db2.gz CFCJGYWDKUCOHC-UHFFFAOYSA-N -1 3 385.497 3.472 20 0 GGADHM Cc1ccccc1OCCCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737431127 598255843 /nfs/dbraw/zinc/25/58/43/598255843.db2.gz DRFLHRAFVOMQMB-OAHLLOKOSA-N -1 3 380.452 3.004 20 0 GGADHM Cc1ccccc1OCCCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737431127 598255845 /nfs/dbraw/zinc/25/58/45/598255845.db2.gz DRFLHRAFVOMQMB-OAHLLOKOSA-N -1 3 380.452 3.004 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737064164 598265946 /nfs/dbraw/zinc/26/59/46/598265946.db2.gz UZVWWXNPQXAFHJ-CQSZACIVSA-N -1 3 382.399 3.036 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000737064164 598265947 /nfs/dbraw/zinc/26/59/47/598265947.db2.gz UZVWWXNPQXAFHJ-CQSZACIVSA-N -1 3 382.399 3.036 20 0 GGADHM O=C(NCC[C@@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738057219 598267570 /nfs/dbraw/zinc/26/75/70/598267570.db2.gz ZCMIAWYVNMDOBX-INIZCTEOSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(NCC[C@@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738057219 598267572 /nfs/dbraw/zinc/26/75/72/598267572.db2.gz ZCMIAWYVNMDOBX-INIZCTEOSA-N -1 3 394.435 3.350 20 0 GGADHM COCCCN(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736981543 598267633 /nfs/dbraw/zinc/26/76/33/598267633.db2.gz MDUAUTBBHPJNMK-UHFFFAOYSA-N -1 3 382.424 3.159 20 0 GGADHM COCCCN(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736981543 598267635 /nfs/dbraw/zinc/26/76/35/598267635.db2.gz MDUAUTBBHPJNMK-UHFFFAOYSA-N -1 3 382.424 3.159 20 0 GGADHM O=C(NC1CCCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738026759 598269243 /nfs/dbraw/zinc/26/92/43/598269243.db2.gz WBPRBIWBQSRCFB-UHFFFAOYSA-N -1 3 384.484 3.142 20 0 GGADHM O=C(NC1CCCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738026759 598269244 /nfs/dbraw/zinc/26/92/44/598269244.db2.gz WBPRBIWBQSRCFB-UHFFFAOYSA-N -1 3 384.484 3.142 20 0 GGADHM FC(F)(F)c1ccc(NCc2ccnc(-n3cccn3)c2)cc1-c1nnn[n-]1 ZINC000822729227 607346934 /nfs/dbraw/zinc/34/69/34/607346934.db2.gz WTYHWEKNORTULB-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM FC(F)(F)c1ccc(NCc2ccnc(-n3cccn3)c2)cc1-c1nn[n-]n1 ZINC000822729227 607346935 /nfs/dbraw/zinc/34/69/35/607346935.db2.gz WTYHWEKNORTULB-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)cc1C(F)(F)F ZINC000737222122 598272501 /nfs/dbraw/zinc/27/25/01/598272501.db2.gz SMZAQLQOJJDWSL-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)cc1C(F)(F)F ZINC000737222122 598272502 /nfs/dbraw/zinc/27/25/02/598272502.db2.gz SMZAQLQOJJDWSL-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000737221893 598274330 /nfs/dbraw/zinc/27/43/30/598274330.db2.gz RCLMNSNHGJRNRK-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000737221893 598274331 /nfs/dbraw/zinc/27/43/31/598274331.db2.gz RCLMNSNHGJRNRK-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCc1ccc2c(c1)OCO2 ZINC000737628619 598275681 /nfs/dbraw/zinc/27/56/81/598275681.db2.gz YTMGXKODJRLLTC-UHFFFAOYSA-N -1 3 377.326 3.269 20 0 GGADHM Cc1cccc(OCCN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737411642 598276922 /nfs/dbraw/zinc/27/69/22/598276922.db2.gz NNJYBSXYRAMRAF-UHFFFAOYSA-N -1 3 397.483 3.274 20 0 GGADHM Cc1cccc(OCCN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737411642 598276924 /nfs/dbraw/zinc/27/69/24/598276924.db2.gz NNJYBSXYRAMRAF-UHFFFAOYSA-N -1 3 397.483 3.274 20 0 GGADHM CCOC(=O)CCCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000736592708 598277782 /nfs/dbraw/zinc/27/77/82/598277782.db2.gz UIKZLXARPOPJKY-UHFFFAOYSA-N -1 3 399.476 3.446 20 0 GGADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737974721 598278210 /nfs/dbraw/zinc/27/82/10/598278210.db2.gz HOAMEKLZQSAPDT-UHFFFAOYSA-N -1 3 381.779 3.323 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736273857 598278294 /nfs/dbraw/zinc/27/82/94/598278294.db2.gz SFPFGDKTIVYSNX-DZGCQCFKSA-N -1 3 389.504 3.140 20 0 GGADHM C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736273857 598278296 /nfs/dbraw/zinc/27/82/96/598278296.db2.gz SFPFGDKTIVYSNX-DZGCQCFKSA-N -1 3 389.504 3.140 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737015230 598278992 /nfs/dbraw/zinc/27/89/92/598278992.db2.gz NAZMTWSFOMVPCL-UHFFFAOYSA-N -1 3 399.455 3.092 20 0 GGADHM COCCOc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737015230 598278994 /nfs/dbraw/zinc/27/89/94/598278994.db2.gz NAZMTWSFOMVPCL-UHFFFAOYSA-N -1 3 399.455 3.092 20 0 GGADHM C[C@H](COc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736040569 598279434 /nfs/dbraw/zinc/27/94/34/598279434.db2.gz QDUWMIGYSAODRJ-CYBMUJFWSA-N -1 3 383.456 3.012 20 0 GGADHM C[C@H](COc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736040569 598279435 /nfs/dbraw/zinc/27/94/35/598279435.db2.gz QDUWMIGYSAODRJ-CYBMUJFWSA-N -1 3 383.456 3.012 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1cc2ccccc2[nH]1 ZINC000735661486 598280680 /nfs/dbraw/zinc/28/06/80/598280680.db2.gz LSLRYIACTJKBOD-UHFFFAOYSA-N -1 3 378.440 3.226 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1cc2ccccc2[nH]1 ZINC000735661486 598280682 /nfs/dbraw/zinc/28/06/82/598280682.db2.gz LSLRYIACTJKBOD-UHFFFAOYSA-N -1 3 378.440 3.226 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737116757 598280945 /nfs/dbraw/zinc/28/09/45/598280945.db2.gz XJDXYLMZKKSYGG-AWEZNQCLSA-N -1 3 395.438 3.487 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737116757 598280947 /nfs/dbraw/zinc/28/09/47/598280947.db2.gz XJDXYLMZKKSYGG-AWEZNQCLSA-N -1 3 395.438 3.487 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737115173 598280992 /nfs/dbraw/zinc/28/09/92/598280992.db2.gz LXGXHTRSIMBZIM-LLVKDONJSA-N -1 3 387.440 3.158 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737115173 598280993 /nfs/dbraw/zinc/28/09/93/598280993.db2.gz LXGXHTRSIMBZIM-LLVKDONJSA-N -1 3 387.440 3.158 20 0 GGADHM CC(C)COC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000735838808 598283349 /nfs/dbraw/zinc/28/33/49/598283349.db2.gz VVLNEGGKTOTLRQ-QGZVFWFLSA-N -1 3 398.467 3.015 20 0 GGADHM CC(C)COC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000735838808 598283351 /nfs/dbraw/zinc/28/33/51/598283351.db2.gz VVLNEGGKTOTLRQ-QGZVFWFLSA-N -1 3 398.467 3.015 20 0 GGADHM CC(C)COC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000735836707 598283439 /nfs/dbraw/zinc/28/34/39/598283439.db2.gz CLDNQAKSKFHYHA-KRWDZBQOSA-N -1 3 398.467 3.015 20 0 GGADHM CC(C)COC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000735836707 598283440 /nfs/dbraw/zinc/28/34/40/598283440.db2.gz CLDNQAKSKFHYHA-KRWDZBQOSA-N -1 3 398.467 3.015 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422220 598284494 /nfs/dbraw/zinc/28/44/94/598284494.db2.gz MFCBVSBSYFBAFL-CRAIPNDOSA-N -1 3 376.464 3.435 20 0 GGADHM Cc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422220 598284495 /nfs/dbraw/zinc/28/44/95/598284495.db2.gz MFCBVSBSYFBAFL-CRAIPNDOSA-N -1 3 376.464 3.435 20 0 GGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736696549 598285698 /nfs/dbraw/zinc/28/56/98/598285698.db2.gz YZEYZMILOWROSG-SFHVURJKSA-N -1 3 392.463 3.094 20 0 GGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736696549 598285699 /nfs/dbraw/zinc/28/56/99/598285699.db2.gz YZEYZMILOWROSG-SFHVURJKSA-N -1 3 392.463 3.094 20 0 GGADHM CC[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736334190 598288802 /nfs/dbraw/zinc/28/88/02/598288802.db2.gz UIIJADJBTRVXSH-VXGBXAGGSA-N -1 3 393.875 3.463 20 0 GGADHM CC[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736334190 598288803 /nfs/dbraw/zinc/28/88/03/598288803.db2.gz UIIJADJBTRVXSH-VXGBXAGGSA-N -1 3 393.875 3.463 20 0 GGADHM C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736151703 598288889 /nfs/dbraw/zinc/28/88/89/598288889.db2.gz RURPOTQDUMLPOY-KBPBESRZSA-N -1 3 385.468 3.343 20 0 GGADHM C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736151703 598288891 /nfs/dbraw/zinc/28/88/91/598288891.db2.gz RURPOTQDUMLPOY-KBPBESRZSA-N -1 3 385.468 3.343 20 0 GGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736330817 598289102 /nfs/dbraw/zinc/28/91/02/598289102.db2.gz ZISMHGQPKBHXLH-CYBMUJFWSA-N -1 3 391.435 3.248 20 0 GGADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736330817 598289104 /nfs/dbraw/zinc/28/91/04/598289104.db2.gz ZISMHGQPKBHXLH-CYBMUJFWSA-N -1 3 391.435 3.248 20 0 GGADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736696203 598292676 /nfs/dbraw/zinc/29/26/76/598292676.db2.gz XWFPMKHJGWMOIO-MRXNPFEDSA-N -1 3 378.436 3.383 20 0 GGADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736696203 598292678 /nfs/dbraw/zinc/29/26/78/598292678.db2.gz XWFPMKHJGWMOIO-MRXNPFEDSA-N -1 3 378.436 3.383 20 0 GGADHM CCn1cc(N=c2scc(-c3ccc(-c4nnn[n-]4)cc3)n2C(C)C)cn1 ZINC000736721462 598294403 /nfs/dbraw/zinc/29/44/03/598294403.db2.gz BIVXBNNYSDFSHH-UHFFFAOYSA-N -1 3 380.481 3.426 20 0 GGADHM CCn1cc(N=c2scc(-c3ccc(-c4nn[n-]n4)cc3)n2C(C)C)cn1 ZINC000736721462 598294404 /nfs/dbraw/zinc/29/44/04/598294404.db2.gz BIVXBNNYSDFSHH-UHFFFAOYSA-N -1 3 380.481 3.426 20 0 GGADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000732085279 598296949 /nfs/dbraw/zinc/29/69/49/598296949.db2.gz IFNMYDVCRRCXIG-LLNWESEBSA-N -1 3 377.448 3.374 20 0 GGADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000732085279 598296951 /nfs/dbraw/zinc/29/69/51/598296951.db2.gz IFNMYDVCRRCXIG-LLNWESEBSA-N -1 3 377.448 3.374 20 0 GGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736194042 598300071 /nfs/dbraw/zinc/30/00/71/598300071.db2.gz XGBGQJJWVXBCQG-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736194042 598300073 /nfs/dbraw/zinc/30/00/73/598300073.db2.gz XGBGQJJWVXBCQG-SNVBAGLBSA-N -1 3 391.859 3.456 20 0 GGADHM Cc1cc(Br)ccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737231621 598300188 /nfs/dbraw/zinc/30/01/88/598300188.db2.gz RJMDEWSSIFFZEC-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1cc(Br)ccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737231621 598300190 /nfs/dbraw/zinc/30/01/90/598300190.db2.gz RJMDEWSSIFFZEC-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1nn(-c2ccccc2)c(COC(=O)C2CCCCCC2)c1-c1nnn[n-]1 ZINC000737503868 598302324 /nfs/dbraw/zinc/30/23/24/598302324.db2.gz MVDKPLRRJFCSRL-UHFFFAOYSA-N -1 3 380.452 3.374 20 0 GGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737463984 598302673 /nfs/dbraw/zinc/30/26/73/598302673.db2.gz BFTJGFZKWHUHOA-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM Cc1nc(-c2ccco2)ccc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737463984 598302676 /nfs/dbraw/zinc/30/26/76/598302676.db2.gz BFTJGFZKWHUHOA-UHFFFAOYSA-N -1 3 391.387 3.066 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736235971 598302911 /nfs/dbraw/zinc/30/29/11/598302911.db2.gz FDNVWVIKFJEMBK-MZMPZRCHSA-N -1 3 389.475 3.099 20 0 GGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736235971 598302912 /nfs/dbraw/zinc/30/29/12/598302912.db2.gz FDNVWVIKFJEMBK-MZMPZRCHSA-N -1 3 389.475 3.099 20 0 GGADHM Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737316899 598305313 /nfs/dbraw/zinc/30/53/13/598305313.db2.gz ICGLLDKLCZPZGE-UHFFFAOYSA-N -1 3 383.427 3.133 20 0 GGADHM Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737316899 598305314 /nfs/dbraw/zinc/30/53/14/598305314.db2.gz ICGLLDKLCZPZGE-UHFFFAOYSA-N -1 3 383.427 3.133 20 0 GGADHM C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cnc2ccccc2c1 ZINC000736155131 598306574 /nfs/dbraw/zinc/30/65/74/598306574.db2.gz IGJMTBFLMOVANK-ZDUSSCGKSA-N -1 3 375.388 3.098 20 0 GGADHM C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cnc2ccccc2c1 ZINC000736155131 598306575 /nfs/dbraw/zinc/30/65/75/598306575.db2.gz IGJMTBFLMOVANK-ZDUSSCGKSA-N -1 3 375.388 3.098 20 0 GGADHM CCCc1ccc(C(=O)CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736496834 598308836 /nfs/dbraw/zinc/30/88/36/598308836.db2.gz JAQZXUJBQTYOCO-UHFFFAOYSA-N -1 3 395.438 3.238 20 0 GGADHM CCCc1ccc(C(=O)CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736496834 598308839 /nfs/dbraw/zinc/30/88/39/598308839.db2.gz JAQZXUJBQTYOCO-UHFFFAOYSA-N -1 3 395.438 3.238 20 0 GGADHM CN(C(=O)CCSc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731770 598309692 /nfs/dbraw/zinc/30/96/92/598309692.db2.gz HGIGBNOVGIWRCS-UHFFFAOYSA-N -1 3 375.404 3.290 20 0 GGADHM CN(C(=O)CCSc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731770 598309695 /nfs/dbraw/zinc/30/96/95/598309695.db2.gz HGIGBNOVGIWRCS-UHFFFAOYSA-N -1 3 375.404 3.290 20 0 GGADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nn2cc(-c3ccccc3)nc2s1 ZINC000737640837 598310792 /nfs/dbraw/zinc/31/07/92/598310792.db2.gz RDMZUAQJIDGGBU-UHFFFAOYSA-N -1 3 392.423 3.389 20 0 GGADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nn2cc(-c3ccccc3)nc2s1 ZINC000737640837 598310794 /nfs/dbraw/zinc/31/07/94/598310794.db2.gz RDMZUAQJIDGGBU-UHFFFAOYSA-N -1 3 392.423 3.389 20 0 GGADHM O=C(OCc1ccncc1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738233730 598314561 /nfs/dbraw/zinc/31/45/61/598314561.db2.gz GNYPTLHHFXNTOS-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM O=C(OCc1ccncc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738233730 598314562 /nfs/dbraw/zinc/31/45/62/598314562.db2.gz GNYPTLHHFXNTOS-UHFFFAOYSA-N -1 3 387.399 3.198 20 0 GGADHM Fc1cc(Br)ccc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000737643230 598315917 /nfs/dbraw/zinc/31/59/17/598315917.db2.gz DGXWSXSXNDZGES-UHFFFAOYSA-N -1 3 380.196 3.197 20 0 GGADHM Fc1cc(Br)ccc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000737643230 598315920 /nfs/dbraw/zinc/31/59/20/598315920.db2.gz DGXWSXSXNDZGES-UHFFFAOYSA-N -1 3 380.196 3.197 20 0 GGADHM O=C(CS[C@@H]1CCCc2ccccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737933171 598316032 /nfs/dbraw/zinc/31/60/32/598316032.db2.gz UMLHIJNYSJCBLH-GOSISDBHSA-N -1 3 379.489 3.294 20 0 GGADHM O=C(CS[C@@H]1CCCc2ccccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737933171 598316034 /nfs/dbraw/zinc/31/60/34/598316034.db2.gz UMLHIJNYSJCBLH-GOSISDBHSA-N -1 3 379.489 3.294 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000738099691 598316635 /nfs/dbraw/zinc/31/66/35/598316635.db2.gz IXPOGABCNNBORZ-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000738099691 598316637 /nfs/dbraw/zinc/31/66/37/598316637.db2.gz IXPOGABCNNBORZ-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM Fc1ccccc1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737668676 598318949 /nfs/dbraw/zinc/31/89/49/598318949.db2.gz HWASAPXRGUYLNI-UHFFFAOYSA-N -1 3 376.848 3.188 20 0 GGADHM Fc1ccccc1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737668676 598318950 /nfs/dbraw/zinc/31/89/50/598318950.db2.gz HWASAPXRGUYLNI-UHFFFAOYSA-N -1 3 376.848 3.188 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)on1 ZINC000737264927 598322607 /nfs/dbraw/zinc/32/26/07/598322607.db2.gz PQCCVBKNWSJYOF-ZDUSSCGKSA-N -1 3 389.872 3.350 20 0 GGADHM Cc1cc([C@@H]2CCCN2C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)on1 ZINC000737264927 598322609 /nfs/dbraw/zinc/32/26/09/598322609.db2.gz PQCCVBKNWSJYOF-ZDUSSCGKSA-N -1 3 389.872 3.350 20 0 GGADHM CC(C)Cc1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n(C)n1 ZINC000735849979 598323071 /nfs/dbraw/zinc/32/30/71/598323071.db2.gz MWGXCKMXRPQLJH-UHFFFAOYSA-N -1 3 390.904 3.261 20 0 GGADHM CC(C)Cc1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n(C)n1 ZINC000735849979 598323072 /nfs/dbraw/zinc/32/30/72/598323072.db2.gz MWGXCKMXRPQLJH-UHFFFAOYSA-N -1 3 390.904 3.261 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCOc2ccccc2C1 ZINC000738406951 598323460 /nfs/dbraw/zinc/32/34/60/598323460.db2.gz DXIUWOVRGMSBPG-UHFFFAOYSA-N -1 3 386.868 3.112 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCOc2ccccc2C1 ZINC000738406951 598323463 /nfs/dbraw/zinc/32/34/63/598323463.db2.gz DXIUWOVRGMSBPG-UHFFFAOYSA-N -1 3 386.868 3.112 20 0 GGADHM CCN(CCC(F)(F)F)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736537259 598324015 /nfs/dbraw/zinc/32/40/15/598324015.db2.gz KTUMZWSVRHLKNT-UHFFFAOYSA-N -1 3 378.811 3.491 20 0 GGADHM CCN(CCC(F)(F)F)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736537259 598324017 /nfs/dbraw/zinc/32/40/17/598324017.db2.gz KTUMZWSVRHLKNT-UHFFFAOYSA-N -1 3 378.811 3.491 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(OC(C)C)cc1 ZINC000737062158 598324583 /nfs/dbraw/zinc/32/45/83/598324583.db2.gz HSXVDECQQPYKNH-UHFFFAOYSA-N -1 3 384.465 3.471 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(OC(C)C)cc1 ZINC000737062158 598324585 /nfs/dbraw/zinc/32/45/85/598324585.db2.gz HSXVDECQQPYKNH-UHFFFAOYSA-N -1 3 384.465 3.471 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253113 598325607 /nfs/dbraw/zinc/32/56/07/598325607.db2.gz MGUSUOXWPAAVPB-CJNGLKHVSA-N -1 3 381.436 3.347 20 0 GGADHM C[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253113 598325608 /nfs/dbraw/zinc/32/56/08/598325608.db2.gz MGUSUOXWPAAVPB-CJNGLKHVSA-N -1 3 381.436 3.347 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737319631 598330138 /nfs/dbraw/zinc/33/01/38/598330138.db2.gz FUTVSVYOKYMDLO-CYBMUJFWSA-N -1 3 393.403 3.431 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737319631 598330139 /nfs/dbraw/zinc/33/01/39/598330139.db2.gz FUTVSVYOKYMDLO-CYBMUJFWSA-N -1 3 393.403 3.431 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCc1ccccc1C(F)(F)F ZINC000737956150 598332210 /nfs/dbraw/zinc/33/22/10/598332210.db2.gz WGRBJQWAUIPMOS-UHFFFAOYSA-N -1 3 376.338 3.214 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCc1ccccc1C(F)(F)F ZINC000737956150 598332212 /nfs/dbraw/zinc/33/22/12/598332212.db2.gz WGRBJQWAUIPMOS-UHFFFAOYSA-N -1 3 376.338 3.214 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737098360 598354232 /nfs/dbraw/zinc/35/42/32/598354232.db2.gz BYOAWOURXVPJAR-LBPRGKRZSA-N -1 3 388.834 3.359 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737098360 598354234 /nfs/dbraw/zinc/35/42/34/598354234.db2.gz BYOAWOURXVPJAR-LBPRGKRZSA-N -1 3 388.834 3.359 20 0 GGADHM O=C(OCCc1cccc(OC(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823410487 607353521 /nfs/dbraw/zinc/35/35/21/607353521.db2.gz XNNWEUOLRPBEKI-UHFFFAOYSA-N -1 3 384.339 3.226 20 0 GGADHM O=C(OCCc1cccc(OC(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823410487 607353522 /nfs/dbraw/zinc/35/35/22/607353522.db2.gz XNNWEUOLRPBEKI-UHFFFAOYSA-N -1 3 384.339 3.226 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737851247 598362493 /nfs/dbraw/zinc/36/24/93/598362493.db2.gz FTEYEOPPPOITPE-IBGZPJMESA-N -1 3 375.476 3.281 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737851247 598362495 /nfs/dbraw/zinc/36/24/95/598362495.db2.gz FTEYEOPPPOITPE-IBGZPJMESA-N -1 3 375.476 3.281 20 0 GGADHM O=C1OC(c2cc3c(s2)CCCC3)=NC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738321079 598366026 /nfs/dbraw/zinc/36/60/26/598366026.db2.gz WMPATUMSIWLJRE-ZROIWOOFSA-N -1 3 377.429 3.152 20 0 GGADHM O=C1OC(c2cc3c(s2)CCCC3)=NC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738321079 598366028 /nfs/dbraw/zinc/36/60/28/598366028.db2.gz WMPATUMSIWLJRE-ZROIWOOFSA-N -1 3 377.429 3.152 20 0 GGADHM O=C(COC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737909785 598367311 /nfs/dbraw/zinc/36/73/11/598367311.db2.gz ZKRUBCMEHXWNNW-UHFFFAOYSA-N -1 3 382.763 3.306 20 0 GGADHM O=C(COC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737909785 598367312 /nfs/dbraw/zinc/36/73/12/598367312.db2.gz ZKRUBCMEHXWNNW-UHFFFAOYSA-N -1 3 382.763 3.306 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738102091 598370512 /nfs/dbraw/zinc/37/05/12/598370512.db2.gz PRXYUGUETRJTCM-SFHVURJKSA-N -1 3 376.464 3.031 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738102091 598370514 /nfs/dbraw/zinc/37/05/14/598370514.db2.gz PRXYUGUETRJTCM-SFHVURJKSA-N -1 3 376.464 3.031 20 0 GGADHM C[C@@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736150044 598371435 /nfs/dbraw/zinc/37/14/35/598371435.db2.gz HWBLHOLAYASPBL-XZHRJIJLSA-N -1 3 395.444 3.043 20 0 GGADHM C[C@@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736150044 598371436 /nfs/dbraw/zinc/37/14/36/598371436.db2.gz HWBLHOLAYASPBL-XZHRJIJLSA-N -1 3 395.444 3.043 20 0 GGADHM Cc1oc(-c2ccsc2)nc1COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737546770 598371650 /nfs/dbraw/zinc/37/16/50/598371650.db2.gz HGEWHCHULIONIV-UHFFFAOYSA-N -1 3 397.416 3.014 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737145584 598372146 /nfs/dbraw/zinc/37/21/46/598372146.db2.gz CYWVKVZMZYIIIH-GOSISDBHSA-N -1 3 392.463 3.312 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737145584 598372148 /nfs/dbraw/zinc/37/21/48/598372148.db2.gz CYWVKVZMZYIIIH-GOSISDBHSA-N -1 3 392.463 3.312 20 0 GGADHM Cc1cc(C)cc(OC[C@H](O)CSc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000737250559 598372757 /nfs/dbraw/zinc/37/27/57/598372757.db2.gz NWLVGTNTEKJENT-HNNXBMFYSA-N -1 3 385.493 3.027 20 0 GGADHM Cc1cc(C)cc(OC[C@H](O)CSc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000737250559 598372759 /nfs/dbraw/zinc/37/27/59/598372759.db2.gz NWLVGTNTEKJENT-HNNXBMFYSA-N -1 3 385.493 3.027 20 0 GGADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc(F)c(Cl)c1 ZINC000738388397 598373079 /nfs/dbraw/zinc/37/30/79/598373079.db2.gz SQHZZCFAHJJDHA-LLVKDONJSA-N -1 3 380.832 3.191 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCCNc1ccccc1 ZINC000735662009 598375355 /nfs/dbraw/zinc/37/53/55/598375355.db2.gz ZEKTYCJRYVXLPQ-UHFFFAOYSA-N -1 3 382.472 3.047 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCCNc1ccccc1 ZINC000735662009 598375357 /nfs/dbraw/zinc/37/53/57/598375357.db2.gz ZEKTYCJRYVXLPQ-UHFFFAOYSA-N -1 3 382.472 3.047 20 0 GGADHM c1ccc(-c2ccc(CN3CCn4c(nnc4C4CC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000738421703 598376661 /nfs/dbraw/zinc/37/66/61/598376661.db2.gz FCOSQSUXGRVKKO-UHFFFAOYSA-N -1 3 398.474 3.018 20 0 GGADHM c1ccc(-c2ccc(CN3CCn4c(nnc4C4CC4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000738421703 598376662 /nfs/dbraw/zinc/37/66/62/598376662.db2.gz FCOSQSUXGRVKKO-UHFFFAOYSA-N -1 3 398.474 3.018 20 0 GGADHM Cn1ccc2c1cccc2NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737610932 598377432 /nfs/dbraw/zinc/37/74/32/598377432.db2.gz ALNGUTUYXWRGIP-UHFFFAOYSA-N -1 3 378.461 3.230 20 0 GGADHM Cn1ccc2c1cccc2NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737610932 598377433 /nfs/dbraw/zinc/37/74/33/598377433.db2.gz ALNGUTUYXWRGIP-UHFFFAOYSA-N -1 3 378.461 3.230 20 0 GGADHM CO[C@@H](C)c1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736962084 598381939 /nfs/dbraw/zinc/38/19/39/598381939.db2.gz NCNDQBWFRGIJEL-ZDUSSCGKSA-N -1 3 383.477 3.446 20 0 GGADHM CO[C@@H](C)c1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736962084 598381940 /nfs/dbraw/zinc/38/19/40/598381940.db2.gz NCNDQBWFRGIJEL-ZDUSSCGKSA-N -1 3 383.477 3.446 20 0 GGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738149246 598382167 /nfs/dbraw/zinc/38/21/67/598382167.db2.gz DJTDMSYNGWOZDS-UHFFFAOYSA-N -1 3 389.347 3.168 20 0 GGADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1sccc1-c1nn[n-]n1 ZINC000738149246 598382168 /nfs/dbraw/zinc/38/21/68/598382168.db2.gz DJTDMSYNGWOZDS-UHFFFAOYSA-N -1 3 389.347 3.168 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OC2CCCC2)nc1 ZINC000737803949 598382235 /nfs/dbraw/zinc/38/22/35/598382235.db2.gz WTHMFHAGNSFHRT-PKNBQFBNSA-N -1 3 376.420 3.235 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OC2CCCC2)nc1 ZINC000737803949 598382236 /nfs/dbraw/zinc/38/22/36/598382236.db2.gz WTHMFHAGNSFHRT-PKNBQFBNSA-N -1 3 376.420 3.235 20 0 GGADHM CCOC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736591007 598382850 /nfs/dbraw/zinc/38/28/50/598382850.db2.gz ORLYBMPEXZOXOL-HXUWFJFHSA-N -1 3 391.475 3.006 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)CC1CCC1 ZINC000737895707 598383109 /nfs/dbraw/zinc/38/31/09/598383109.db2.gz QRQRUTFITUQQRE-UHFFFAOYSA-N -1 3 376.464 3.108 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821083235 607355710 /nfs/dbraw/zinc/35/57/10/607355710.db2.gz WCADDXIEDMVXAK-UHFFFAOYSA-N -1 3 392.463 3.380 20 0 GGADHM CCCN(C(=O)c1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821083235 607355711 /nfs/dbraw/zinc/35/57/11/607355711.db2.gz WCADDXIEDMVXAK-UHFFFAOYSA-N -1 3 392.463 3.380 20 0 GGADHM Fc1ccc(N2CC[C@@H](Nc3c(F)cc(-c4nnn[n-]4)cc3F)C2)c(F)c1 ZINC000737661463 598390033 /nfs/dbraw/zinc/39/00/33/598390033.db2.gz WYLKJXKTZXGVRG-LLVKDONJSA-N -1 3 378.333 3.114 20 0 GGADHM Fc1ccc(N2CC[C@@H](Nc3c(F)cc(-c4nn[n-]n4)cc3F)C2)c(F)c1 ZINC000737661463 598390036 /nfs/dbraw/zinc/39/00/36/598390036.db2.gz WYLKJXKTZXGVRG-LLVKDONJSA-N -1 3 378.333 3.114 20 0 GGADHM CC(C)COc1ccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735845187 598390438 /nfs/dbraw/zinc/39/04/38/598390438.db2.gz RSUFRTLHNILCST-UHFFFAOYSA-N -1 3 380.452 3.266 20 0 GGADHM CC(C)COc1ccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735845187 598390439 /nfs/dbraw/zinc/39/04/39/598390439.db2.gz RSUFRTLHNILCST-UHFFFAOYSA-N -1 3 380.452 3.266 20 0 GGADHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000735671494 598392223 /nfs/dbraw/zinc/39/22/23/598392223.db2.gz XBFZAQTZXRTZQZ-UHFFFAOYSA-N -1 3 386.843 3.076 20 0 GGADHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000735671494 598392224 /nfs/dbraw/zinc/39/22/24/598392224.db2.gz XBFZAQTZXRTZQZ-UHFFFAOYSA-N -1 3 386.843 3.076 20 0 GGADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000736138863 598392245 /nfs/dbraw/zinc/39/22/45/598392245.db2.gz RXGWZRDNSNNHLD-SNVBAGLBSA-N -1 3 385.815 3.045 20 0 GGADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000736138863 598392246 /nfs/dbraw/zinc/39/22/46/598392246.db2.gz RXGWZRDNSNNHLD-SNVBAGLBSA-N -1 3 385.815 3.045 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c3c2CCC3)c(C)c1 ZINC000519324744 598393541 /nfs/dbraw/zinc/39/35/41/598393541.db2.gz FETLKYNRTSDOBS-UHFFFAOYSA-N -1 3 399.458 3.410 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c3c2CCC3)c(C)c1 ZINC000519324744 598393543 /nfs/dbraw/zinc/39/35/43/598393543.db2.gz FETLKYNRTSDOBS-UHFFFAOYSA-N -1 3 399.458 3.410 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c3c2CCC3)c(C)c1 ZINC000592756270 598393750 /nfs/dbraw/zinc/39/37/50/598393750.db2.gz GCIODRXSEZDBOS-UHFFFAOYSA-N -1 3 399.458 3.410 20 0 GGADHM Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c3c2CCC3)c(C)c1 ZINC000592756270 598393752 /nfs/dbraw/zinc/39/37/52/598393752.db2.gz GCIODRXSEZDBOS-UHFFFAOYSA-N -1 3 399.458 3.410 20 0 GGADHM COc1ccc2oc([C@@H](C)NC(=O)c3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737120426 598397391 /nfs/dbraw/zinc/39/73/91/598397391.db2.gz PBGICICAPGSLRJ-GFCCVEGCSA-N -1 3 377.404 3.421 20 0 GGADHM COc1ccc2oc([C@@H](C)NC(=O)c3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737120426 598397392 /nfs/dbraw/zinc/39/73/92/598397392.db2.gz PBGICICAPGSLRJ-GFCCVEGCSA-N -1 3 377.404 3.421 20 0 GGADHM CC(C)COc1ccc(CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735844510 598398226 /nfs/dbraw/zinc/39/82/26/598398226.db2.gz MUYKCXWXLMWFKH-FMIVXFBMSA-N -1 3 391.475 3.274 20 0 GGADHM CC(C)COc1ccc(CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735844510 598398228 /nfs/dbraw/zinc/39/82/28/598398228.db2.gz MUYKCXWXLMWFKH-FMIVXFBMSA-N -1 3 391.475 3.274 20 0 GGADHM COc1ccc(OC(C)C)c(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737108330 598413489 /nfs/dbraw/zinc/41/34/89/598413489.db2.gz KLKWCNBIWSWURL-UHFFFAOYSA-N -1 3 396.451 3.326 20 0 GGADHM COc1ccc(OC(C)C)c(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737108330 598413491 /nfs/dbraw/zinc/41/34/91/598413491.db2.gz KLKWCNBIWSWURL-UHFFFAOYSA-N -1 3 396.451 3.326 20 0 GGADHM O=C(O[C@H]1CCOC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738213830 598415861 /nfs/dbraw/zinc/41/58/61/598415861.db2.gz IBRIIPIKIJOIKL-HNNXBMFYSA-N -1 3 382.445 3.105 20 0 GGADHM O=C(O[C@H]1CCOC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738213830 598415862 /nfs/dbraw/zinc/41/58/62/598415862.db2.gz IBRIIPIKIJOIKL-HNNXBMFYSA-N -1 3 382.445 3.105 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1cccs1)c1ccccc1 ZINC000737894058 598416346 /nfs/dbraw/zinc/41/63/46/598416346.db2.gz DXUGLMFWALXMOT-IBGZPJMESA-N -1 3 390.472 3.246 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccc(F)cc1Cl ZINC000735561197 598417581 /nfs/dbraw/zinc/41/75/81/598417581.db2.gz WNQZFIICNXAMKH-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccc(F)cc1Cl ZINC000735561197 598417582 /nfs/dbraw/zinc/41/75/82/598417582.db2.gz WNQZFIICNXAMKH-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)Cc1ccc(F)cc1Cl ZINC000735564481 598417645 /nfs/dbraw/zinc/41/76/45/598417645.db2.gz XIXYIQXJVXTECI-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)Cc1ccc(F)cc1Cl ZINC000735564481 598417646 /nfs/dbraw/zinc/41/76/46/598417646.db2.gz XIXYIQXJVXTECI-NSHDSACASA-N -1 3 388.834 3.118 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736772678 598419734 /nfs/dbraw/zinc/41/97/34/598419734.db2.gz GUUBBEHDYXTSAB-CABCVRRESA-N -1 3 394.504 3.225 20 0 GGADHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736772678 598419736 /nfs/dbraw/zinc/41/97/36/598419736.db2.gz GUUBBEHDYXTSAB-CABCVRRESA-N -1 3 394.504 3.225 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152627 598421114 /nfs/dbraw/zinc/42/11/14/598421114.db2.gz KVSLVIQPUVGWDJ-LSDHHAIUSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152627 598421116 /nfs/dbraw/zinc/42/11/16/598421116.db2.gz KVSLVIQPUVGWDJ-LSDHHAIUSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737153050 598421170 /nfs/dbraw/zinc/42/11/70/598421170.db2.gz OTQZQUUOPKGVMC-ZDUSSCGKSA-N -1 3 383.427 3.246 20 0 GGADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737153050 598421172 /nfs/dbraw/zinc/42/11/72/598421172.db2.gz OTQZQUUOPKGVMC-ZDUSSCGKSA-N -1 3 383.427 3.246 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737246164 598421675 /nfs/dbraw/zinc/42/16/75/598421675.db2.gz KUHMVPIFTRQTLC-UHFFFAOYSA-N -1 3 379.464 3.219 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737246164 598421677 /nfs/dbraw/zinc/42/16/77/598421677.db2.gz KUHMVPIFTRQTLC-UHFFFAOYSA-N -1 3 379.464 3.219 20 0 GGADHM O=C(CCc1nc2cc(Cl)ccc2s1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737860468 598421714 /nfs/dbraw/zinc/42/17/14/598421714.db2.gz QZJUJDISMQEAFH-UHFFFAOYSA-N -1 3 398.879 3.379 20 0 GGADHM O=C(CCc1nc2cc(Cl)ccc2s1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737860468 598421716 /nfs/dbraw/zinc/42/17/16/598421716.db2.gz QZJUJDISMQEAFH-UHFFFAOYSA-N -1 3 398.879 3.379 20 0 GGADHM CCOC(=O)c1sc2ccsc2c1CNc1ncccc1-c1nnn[n-]1 ZINC000736605641 598426619 /nfs/dbraw/zinc/42/66/19/598426619.db2.gz OGHHBWVHLHDZRT-UHFFFAOYSA-N -1 3 386.462 3.327 20 0 GGADHM CCOC(=O)c1sc2ccsc2c1CNc1ncccc1-c1nn[n-]n1 ZINC000736605641 598426621 /nfs/dbraw/zinc/42/66/21/598426621.db2.gz OGHHBWVHLHDZRT-UHFFFAOYSA-N -1 3 386.462 3.327 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCOc1ccc(C(F)(F)F)cc1 ZINC000737955204 598432490 /nfs/dbraw/zinc/43/24/90/598432490.db2.gz BBOSUKYNOSLPCA-UHFFFAOYSA-N -1 3 392.337 3.050 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCOc1ccc(C(F)(F)F)cc1 ZINC000737955204 598432491 /nfs/dbraw/zinc/43/24/91/598432491.db2.gz BBOSUKYNOSLPCA-UHFFFAOYSA-N -1 3 392.337 3.050 20 0 GGADHM CCc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(C)cc1 ZINC000736670392 598432643 /nfs/dbraw/zinc/43/26/43/598432643.db2.gz OPHOOMHFUAPOSL-UHFFFAOYSA-N -1 3 388.431 3.280 20 0 GGADHM CCc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(C)cc1 ZINC000736670392 598432644 /nfs/dbraw/zinc/43/26/44/598432644.db2.gz OPHOOMHFUAPOSL-UHFFFAOYSA-N -1 3 388.431 3.280 20 0 GGADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000737777244 598433534 /nfs/dbraw/zinc/43/35/34/598433534.db2.gz RDMKJIUGIZPKIJ-UHFFFAOYSA-N -1 3 396.414 3.040 20 0 GGADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000737777244 598433536 /nfs/dbraw/zinc/43/35/36/598433536.db2.gz RDMKJIUGIZPKIJ-UHFFFAOYSA-N -1 3 396.414 3.040 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737075563 598439665 /nfs/dbraw/zinc/43/96/65/598439665.db2.gz LHPQQTLXLCFRHC-SFHVURJKSA-N -1 3 378.436 3.028 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737075563 598439666 /nfs/dbraw/zinc/43/96/66/598439666.db2.gz LHPQQTLXLCFRHC-SFHVURJKSA-N -1 3 378.436 3.028 20 0 GGADHM O=C(CSC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737932114 598441533 /nfs/dbraw/zinc/44/15/33/598441533.db2.gz JIMBWXVOSITVNE-NSHDSACASA-N -1 3 393.538 3.048 20 0 GGADHM O=C(CSC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737932114 598441534 /nfs/dbraw/zinc/44/15/34/598441534.db2.gz JIMBWXVOSITVNE-NSHDSACASA-N -1 3 393.538 3.048 20 0 GGADHM O=C(CCc1ccccc1OC(F)(F)F)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737857480 598441562 /nfs/dbraw/zinc/44/15/62/598441562.db2.gz RBUXIGWNBDQIPK-UHFFFAOYSA-N -1 3 378.310 3.304 20 0 GGADHM O=C(CCc1ccccc1OC(F)(F)F)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737857480 598441563 /nfs/dbraw/zinc/44/15/63/598441563.db2.gz RBUXIGWNBDQIPK-UHFFFAOYSA-N -1 3 378.310 3.304 20 0 GGADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000609521269 598441685 /nfs/dbraw/zinc/44/16/85/598441685.db2.gz INIQMYYMWXUVQD-SFHVURJKSA-N -1 3 381.505 3.441 20 0 GGADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000609521269 598441687 /nfs/dbraw/zinc/44/16/87/598441687.db2.gz INIQMYYMWXUVQD-SFHVURJKSA-N -1 3 381.505 3.441 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000738260073 598442556 /nfs/dbraw/zinc/44/25/56/598442556.db2.gz YOGIGVQOBSUWDH-IBGZPJMESA-N -1 3 382.427 3.050 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000738260073 598442557 /nfs/dbraw/zinc/44/25/57/598442557.db2.gz YOGIGVQOBSUWDH-IBGZPJMESA-N -1 3 382.427 3.050 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000736170642 598450306 /nfs/dbraw/zinc/45/03/06/598450306.db2.gz RCOPKVFSIVCXLB-GFCCVEGCSA-N -1 3 385.855 3.339 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000736019603 598452430 /nfs/dbraw/zinc/45/24/30/598452430.db2.gz IBRVTUSXWGVCBH-VIFPVBQESA-N -1 3 377.235 3.102 20 0 GGADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000736019603 598452432 /nfs/dbraw/zinc/45/24/32/598452432.db2.gz IBRVTUSXWGVCBH-VIFPVBQESA-N -1 3 377.235 3.102 20 0 GGADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738146922 598454161 /nfs/dbraw/zinc/45/41/61/598454161.db2.gz UAMZXWBDHKLAHU-UHFFFAOYSA-N -1 3 377.433 3.244 20 0 GGADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738146922 598454163 /nfs/dbraw/zinc/45/41/63/598454163.db2.gz UAMZXWBDHKLAHU-UHFFFAOYSA-N -1 3 377.433 3.244 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(Cc2cccs2)oc1=S ZINC000736822037 598456111 /nfs/dbraw/zinc/45/61/11/598456111.db2.gz KTMJGVWZCZNKOY-UHFFFAOYSA-N -1 3 399.505 3.127 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(Cc2cccs2)oc1=S ZINC000736822037 598456113 /nfs/dbraw/zinc/45/61/13/598456113.db2.gz KTMJGVWZCZNKOY-UHFFFAOYSA-N -1 3 399.505 3.127 20 0 GGADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737925380 598457010 /nfs/dbraw/zinc/45/70/10/598457010.db2.gz SKWQNWLCDLWZPR-KRWDZBQOSA-N -1 3 377.448 3.042 20 0 GGADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737925380 598457012 /nfs/dbraw/zinc/45/70/12/598457012.db2.gz SKWQNWLCDLWZPR-KRWDZBQOSA-N -1 3 377.448 3.042 20 0 GGADHM FC(F)(F)COc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737625643 598459322 /nfs/dbraw/zinc/45/93/22/598459322.db2.gz CVQBQOFKDFKGEH-UHFFFAOYSA-N -1 3 380.326 3.266 20 0 GGADHM C[C@@H](NS(=O)(=O)C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736131829 598463937 /nfs/dbraw/zinc/46/39/37/598463937.db2.gz SMPQYPYOYQJYRE-HCRIHEDKSA-N -1 3 389.868 3.171 20 0 GGADHM C[C@@H](NS(=O)(=O)C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736131829 598463938 /nfs/dbraw/zinc/46/39/38/598463938.db2.gz SMPQYPYOYQJYRE-HCRIHEDKSA-N -1 3 389.868 3.171 20 0 GGADHM CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736513025 598464192 /nfs/dbraw/zinc/46/41/92/598464192.db2.gz WNHFIZIEFOLZEZ-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736513025 598464195 /nfs/dbraw/zinc/46/41/95/598464195.db2.gz WNHFIZIEFOLZEZ-NHYWBVRUSA-N -1 3 383.905 3.109 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738260261 598465137 /nfs/dbraw/zinc/46/51/37/598465137.db2.gz AGBNDZFBXLCXEA-HNNXBMFYSA-N -1 3 388.353 3.258 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738260261 598465138 /nfs/dbraw/zinc/46/51/38/598465138.db2.gz AGBNDZFBXLCXEA-HNNXBMFYSA-N -1 3 388.353 3.258 20 0 GGADHM O[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000738385677 598467868 /nfs/dbraw/zinc/46/78/68/598467868.db2.gz XQMUZWRBVWAAIB-CYBMUJFWSA-N -1 3 385.296 3.309 20 0 GGADHM O[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000738385677 598467869 /nfs/dbraw/zinc/46/78/69/598467869.db2.gz XQMUZWRBVWAAIB-CYBMUJFWSA-N -1 3 385.296 3.309 20 0 GGADHM Fc1ccc(OC[C@H]2CCCO2)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737657605 598470456 /nfs/dbraw/zinc/47/04/56/598470456.db2.gz XTTCICDUWQXUTF-QGZVFWFLSA-N -1 3 399.426 3.055 20 0 GGADHM CC(C)Oc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000735912874 598471072 /nfs/dbraw/zinc/47/10/72/598471072.db2.gz IWBRVMRAEPTVDZ-UHFFFAOYSA-N -1 3 394.840 3.075 20 0 GGADHM CC(C)Oc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000735912874 598471073 /nfs/dbraw/zinc/47/10/73/598471073.db2.gz IWBRVMRAEPTVDZ-UHFFFAOYSA-N -1 3 394.840 3.075 20 0 GGADHM COC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000736940123 598476204 /nfs/dbraw/zinc/47/62/04/598476204.db2.gz NPZNUCWUNUNRTG-JTQLQIEISA-N -1 3 399.386 3.067 20 0 GGADHM COC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000736940123 598476205 /nfs/dbraw/zinc/47/62/05/598476205.db2.gz NPZNUCWUNUNRTG-JTQLQIEISA-N -1 3 399.386 3.067 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000736280842 598476210 /nfs/dbraw/zinc/47/62/10/598476210.db2.gz PLWXHGHGACRMLS-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000736280842 598476211 /nfs/dbraw/zinc/47/62/11/598476211.db2.gz PLWXHGHGACRMLS-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000738116074 598477182 /nfs/dbraw/zinc/47/71/82/598477182.db2.gz IWOMVKIZZHCGEG-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000738116074 598477184 /nfs/dbraw/zinc/47/71/84/598477184.db2.gz IWOMVKIZZHCGEG-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000736240504 598477500 /nfs/dbraw/zinc/47/75/00/598477500.db2.gz VFVXORMNZDGEDM-ACJLOTCBSA-N -1 3 392.463 3.457 20 0 GGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000736240504 598477501 /nfs/dbraw/zinc/47/75/01/598477501.db2.gz VFVXORMNZDGEDM-ACJLOTCBSA-N -1 3 392.463 3.457 20 0 GGADHM C[C@H](COc1ccccc1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736037346 598477915 /nfs/dbraw/zinc/47/79/15/598477915.db2.gz GALMUTDYJUDZCB-OAHLLOKOSA-N -1 3 392.463 3.008 20 0 GGADHM C[C@H](COc1ccccc1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736037346 598477917 /nfs/dbraw/zinc/47/79/17/598477917.db2.gz GALMUTDYJUDZCB-OAHLLOKOSA-N -1 3 392.463 3.008 20 0 GGADHM O=C(NCCc1c(F)cccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738086325 598478685 /nfs/dbraw/zinc/47/86/85/598478685.db2.gz VTAUAZRDEAAVTJ-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM O=C(NCCc1c(F)cccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738086325 598478687 /nfs/dbraw/zinc/47/86/87/598478687.db2.gz VTAUAZRDEAAVTJ-UHFFFAOYSA-N -1 3 398.417 3.062 20 0 GGADHM CSc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737192421 598479824 /nfs/dbraw/zinc/47/98/24/598479824.db2.gz YNUAYFIXVBZIRQ-UHFFFAOYSA-N -1 3 394.504 3.463 20 0 GGADHM CSc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737192421 598479825 /nfs/dbraw/zinc/47/98/25/598479825.db2.gz YNUAYFIXVBZIRQ-UHFFFAOYSA-N -1 3 394.504 3.463 20 0 GGADHM O=C(NCc1cccc2cccnc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738116703 598480447 /nfs/dbraw/zinc/48/04/47/598480447.db2.gz LTHSCYYQBPAMLW-UHFFFAOYSA-N -1 3 399.458 3.289 20 0 GGADHM O=C(NCc1cccc2cccnc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738116703 598480448 /nfs/dbraw/zinc/48/04/48/598480448.db2.gz LTHSCYYQBPAMLW-UHFFFAOYSA-N -1 3 399.458 3.289 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1cnc2ccccc2n1 ZINC000735656112 598486251 /nfs/dbraw/zinc/48/62/51/598486251.db2.gz UTCRVZVNDBSNFY-CMDGGOBGSA-N -1 3 388.435 3.018 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc2ccccc2n1 ZINC000735656112 598486252 /nfs/dbraw/zinc/48/62/52/598486252.db2.gz UTCRVZVNDBSNFY-CMDGGOBGSA-N -1 3 388.435 3.018 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)C2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736161608 598487453 /nfs/dbraw/zinc/48/74/53/598487453.db2.gz DIGAXHUGELPQDB-LBPRGKRZSA-N -1 3 377.404 3.133 20 0 GGADHM C[C@H](OC(=O)c1cccc(NC(=O)C2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736161608 598487454 /nfs/dbraw/zinc/48/74/54/598487454.db2.gz DIGAXHUGELPQDB-LBPRGKRZSA-N -1 3 377.404 3.133 20 0 GGADHM C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162083 598487620 /nfs/dbraw/zinc/48/76/20/598487620.db2.gz GFHGKPKMSMYPQT-LIRRHRJNSA-N -1 3 394.431 3.343 20 0 GGADHM C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162083 598487622 /nfs/dbraw/zinc/48/76/22/598487622.db2.gz GFHGKPKMSMYPQT-LIRRHRJNSA-N -1 3 394.431 3.343 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000735662786 598488016 /nfs/dbraw/zinc/48/80/16/598488016.db2.gz XCLYXZNLQCNQPR-UHFFFAOYSA-N -1 3 383.437 3.392 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000735662786 598488017 /nfs/dbraw/zinc/48/80/17/598488017.db2.gz XCLYXZNLQCNQPR-UHFFFAOYSA-N -1 3 383.437 3.392 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC000735662318 598488258 /nfs/dbraw/zinc/48/82/58/598488258.db2.gz UZNARPYKJIUDIN-UHFFFAOYSA-N -1 3 395.398 3.470 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC000735662318 598488259 /nfs/dbraw/zinc/48/82/59/598488259.db2.gz UZNARPYKJIUDIN-UHFFFAOYSA-N -1 3 395.398 3.470 20 0 GGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1Cc1ccccc1 ZINC000737209715 598488272 /nfs/dbraw/zinc/48/82/72/598488272.db2.gz UJJASWCCIYLDTI-HNNXBMFYSA-N -1 3 388.431 3.338 20 0 GGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1Cc1ccccc1 ZINC000737209715 598488274 /nfs/dbraw/zinc/48/82/74/598488274.db2.gz UJJASWCCIYLDTI-HNNXBMFYSA-N -1 3 388.431 3.338 20 0 GGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1F ZINC000737208405 598489774 /nfs/dbraw/zinc/48/97/74/598489774.db2.gz BEEVJFPPTPYPHD-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1F ZINC000737208405 598489775 /nfs/dbraw/zinc/48/97/75/598489775.db2.gz BEEVJFPPTPYPHD-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM CN(C)c1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736773883 598490023 /nfs/dbraw/zinc/49/00/23/598490023.db2.gz REYJEFWPJGRIRH-UHFFFAOYSA-N -1 3 381.484 3.061 20 0 GGADHM CN(C)c1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736773883 598490025 /nfs/dbraw/zinc/49/00/25/598490025.db2.gz REYJEFWPJGRIRH-UHFFFAOYSA-N -1 3 381.484 3.061 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c21 ZINC000737409007 598491072 /nfs/dbraw/zinc/49/10/72/598491072.db2.gz PEQKWBHDKLVGCU-UHFFFAOYSA-N -1 3 377.452 3.394 20 0 GGADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c21 ZINC000737409007 598491074 /nfs/dbraw/zinc/49/10/74/598491074.db2.gz PEQKWBHDKLVGCU-UHFFFAOYSA-N -1 3 377.452 3.394 20 0 GGADHM CSc1nc(C)c(CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000737188658 598491469 /nfs/dbraw/zinc/49/14/69/598491469.db2.gz DLWHQHVYIAPXGE-CYBMUJFWSA-N -1 3 398.492 3.232 20 0 GGADHM CSc1nc(C)c(CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000737188658 598491470 /nfs/dbraw/zinc/49/14/70/598491470.db2.gz DLWHQHVYIAPXGE-CYBMUJFWSA-N -1 3 398.492 3.232 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737548670 598491549 /nfs/dbraw/zinc/49/15/49/598491549.db2.gz QALQBNLHHZAVSJ-UHFFFAOYSA-N -1 3 395.423 3.161 20 0 GGADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737548670 598491550 /nfs/dbraw/zinc/49/15/50/598491550.db2.gz QALQBNLHHZAVSJ-UHFFFAOYSA-N -1 3 395.423 3.161 20 0 GGADHM C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CCS2)c1cccc(-c2nnn[n-]2)c1 ZINC000736158493 598491763 /nfs/dbraw/zinc/49/17/63/598491763.db2.gz QSLULVADWUUADG-LLVKDONJSA-N -1 3 395.444 3.219 20 0 GGADHM C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CCS2)c1cccc(-c2nn[n-]n2)c1 ZINC000736158493 598491764 /nfs/dbraw/zinc/49/17/64/598491764.db2.gz QSLULVADWUUADG-LLVKDONJSA-N -1 3 395.444 3.219 20 0 GGADHM Fc1cccc(Cc2nnc(SCc3cc(-c4nnn[n-]4)ccc3F)o2)c1 ZINC000737659192 598495226 /nfs/dbraw/zinc/49/52/26/598495226.db2.gz AGNCLBOLSHGJAO-UHFFFAOYSA-N -1 3 386.387 3.411 20 0 GGADHM Fc1cccc(Cc2nnc(SCc3cc(-c4nn[n-]n4)ccc3F)o2)c1 ZINC000737659192 598495227 /nfs/dbraw/zinc/49/52/27/598495227.db2.gz AGNCLBOLSHGJAO-UHFFFAOYSA-N -1 3 386.387 3.411 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCOC3)c2-c2nnn[n-]2)C1 ZINC000735597375 598498148 /nfs/dbraw/zinc/49/81/48/598498148.db2.gz NZWSDCMKTPNSOS-NEPJUHHUSA-N -1 3 389.525 3.444 20 0 GGADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCOC3)c2-c2nn[n-]n2)C1 ZINC000735597375 598498150 /nfs/dbraw/zinc/49/81/50/598498150.db2.gz NZWSDCMKTPNSOS-NEPJUHHUSA-N -1 3 389.525 3.444 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCOC1 ZINC000737269329 598498628 /nfs/dbraw/zinc/49/86/28/598498628.db2.gz DEBAHSQOVSEMSK-QGZVFWFLSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCOC1 ZINC000737269329 598498629 /nfs/dbraw/zinc/49/86/29/598498629.db2.gz DEBAHSQOVSEMSK-QGZVFWFLSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCOC1 ZINC000737269707 598498713 /nfs/dbraw/zinc/49/87/13/598498713.db2.gz HCCMWKVFAIPFFF-QGZVFWFLSA-N -1 3 395.438 3.274 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCOC1 ZINC000737269707 598498715 /nfs/dbraw/zinc/49/87/15/598498715.db2.gz HCCMWKVFAIPFFF-QGZVFWFLSA-N -1 3 395.438 3.274 20 0 GGADHM CC[C@H]1CCCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736402099 598500152 /nfs/dbraw/zinc/50/01/52/598500152.db2.gz LNEINFGFXRFVGU-KRWDZBQOSA-N -1 3 377.448 3.460 20 0 GGADHM CC[C@H]1CCCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736402099 598500154 /nfs/dbraw/zinc/50/01/54/598500154.db2.gz LNEINFGFXRFVGU-KRWDZBQOSA-N -1 3 377.448 3.460 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1sccc1-c1nnn[n-]1 ZINC000738038368 598500672 /nfs/dbraw/zinc/50/06/72/598500672.db2.gz ZBHSRWRPIMDWJL-GFCCVEGCSA-N -1 3 390.266 3.108 20 0 GGADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1sccc1-c1nn[n-]n1 ZINC000738038368 598500674 /nfs/dbraw/zinc/50/06/74/598500674.db2.gz ZBHSRWRPIMDWJL-GFCCVEGCSA-N -1 3 390.266 3.108 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cccc(-c2nnn[n-]2)c1 ZINC000738037535 598500726 /nfs/dbraw/zinc/50/07/26/598500726.db2.gz WWUYQVSLOPZXLB-HNNXBMFYSA-N -1 3 384.237 3.047 20 0 GGADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cccc(-c2nn[n-]n2)c1 ZINC000738037535 598500727 /nfs/dbraw/zinc/50/07/27/598500727.db2.gz WWUYQVSLOPZXLB-HNNXBMFYSA-N -1 3 384.237 3.047 20 0 GGADHM CCCCN(C1CCCCC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736453525 598506748 /nfs/dbraw/zinc/50/67/48/598506748.db2.gz PPDSBUBMSLCMRC-UHFFFAOYSA-N -1 3 377.514 3.131 20 0 GGADHM CCCCN(C1CCCCC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736453525 598506749 /nfs/dbraw/zinc/50/67/49/598506749.db2.gz PPDSBUBMSLCMRC-UHFFFAOYSA-N -1 3 377.514 3.131 20 0 GGADHM Clc1ccc(NC[C@@H](c2cccs2)N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737574210 598506985 /nfs/dbraw/zinc/50/69/85/598506985.db2.gz LZYVLNMHMAFMBV-HNNXBMFYSA-N -1 3 390.900 3.067 20 0 GGADHM Clc1ccc(NC[C@@H](c2cccs2)N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000737574210 598506987 /nfs/dbraw/zinc/50/69/87/598506987.db2.gz LZYVLNMHMAFMBV-HNNXBMFYSA-N -1 3 390.900 3.067 20 0 GGADHM CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735619573 598509847 /nfs/dbraw/zinc/50/98/47/598509847.db2.gz UGANFQJZPVXLMY-UHFFFAOYSA-N -1 3 399.520 3.245 20 0 GGADHM CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735619573 598509848 /nfs/dbraw/zinc/50/98/48/598509848.db2.gz UGANFQJZPVXLMY-UHFFFAOYSA-N -1 3 399.520 3.245 20 0 GGADHM CCSc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cn1 ZINC000736666689 598514149 /nfs/dbraw/zinc/51/41/49/598514149.db2.gz MNGXHUOZFKIZJQ-UHFFFAOYSA-N -1 3 380.477 3.179 20 0 GGADHM CCSc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cn1 ZINC000736666689 598514150 /nfs/dbraw/zinc/51/41/50/598514150.db2.gz MNGXHUOZFKIZJQ-UHFFFAOYSA-N -1 3 380.477 3.179 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)c1-c1nnn[n-]1 ZINC000736669277 598514902 /nfs/dbraw/zinc/51/49/02/598514902.db2.gz BZCOAJBVQDKUAK-NSHDSACASA-N -1 3 399.476 3.408 20 0 GGADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)c1-c1nn[n-]n1 ZINC000736669277 598514904 /nfs/dbraw/zinc/51/49/04/598514904.db2.gz BZCOAJBVQDKUAK-NSHDSACASA-N -1 3 399.476 3.408 20 0 GGADHM Cc1cc(OCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000826271967 607359597 /nfs/dbraw/zinc/35/95/97/607359597.db2.gz PIGGGRUYMLSYGL-UHFFFAOYSA-N -1 3 394.431 3.103 20 0 GGADHM Cc1cc(OCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000826271967 607359599 /nfs/dbraw/zinc/35/95/99/607359599.db2.gz PIGGGRUYMLSYGL-UHFFFAOYSA-N -1 3 394.431 3.103 20 0 GGADHM CCc1c(C)sc(NC(=O)Cn2ccc3cc(OC)ccc32)c1-c1nnn[n-]1 ZINC000736677095 598516411 /nfs/dbraw/zinc/51/64/11/598516411.db2.gz ZFNAZMMJEOCTSB-UHFFFAOYSA-N -1 3 396.476 3.401 20 0 GGADHM CCc1c(C)sc(NC(=O)Cn2ccc3cc(OC)ccc32)c1-c1nn[n-]n1 ZINC000736677095 598516413 /nfs/dbraw/zinc/51/64/13/598516413.db2.gz ZFNAZMMJEOCTSB-UHFFFAOYSA-N -1 3 396.476 3.401 20 0 GGADHM CCc1c(C)sc(NC(=O)CCc2nc(-c3ccco3)no2)c1-c1nnn[n-]1 ZINC000736671297 598516792 /nfs/dbraw/zinc/51/67/92/598516792.db2.gz WODGASKDTDSKQS-UHFFFAOYSA-N -1 3 399.436 3.013 20 0 GGADHM CCc1c(C)sc(NC(=O)CCc2nc(-c3ccco3)no2)c1-c1nn[n-]n1 ZINC000736671297 598516795 /nfs/dbraw/zinc/51/67/95/598516795.db2.gz WODGASKDTDSKQS-UHFFFAOYSA-N -1 3 399.436 3.013 20 0 GGADHM CCC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736425125 598518092 /nfs/dbraw/zinc/51/80/92/598518092.db2.gz BQPSHJRETDYARV-DOTOQJQBSA-N -1 3 379.464 3.162 20 0 GGADHM CCC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736425125 598518093 /nfs/dbraw/zinc/51/80/93/598518093.db2.gz BQPSHJRETDYARV-DOTOQJQBSA-N -1 3 379.464 3.162 20 0 GGADHM CCc1c(C)sc(NC(=O)C=Cc2cnc3ccccc3n2)c1-c1nnn[n-]1 ZINC000736670775 598518666 /nfs/dbraw/zinc/51/86/66/598518666.db2.gz RDHAPCBWXONZAZ-CMDGGOBGSA-N -1 3 391.460 3.394 20 0 GGADHM CCc1c(C)sc(NC(=O)C=Cc2cnc3ccccc3n2)c1-c1nn[n-]n1 ZINC000736670775 598518668 /nfs/dbraw/zinc/51/86/68/598518668.db2.gz RDHAPCBWXONZAZ-CMDGGOBGSA-N -1 3 391.460 3.394 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735639473 598519014 /nfs/dbraw/zinc/51/90/14/598519014.db2.gz ILXXSGYNPNLMTH-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735639473 598519016 /nfs/dbraw/zinc/51/90/16/598519016.db2.gz ILXXSGYNPNLMTH-UHFFFAOYSA-N -1 3 394.435 3.395 20 0 GGADHM COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737149146 598520393 /nfs/dbraw/zinc/52/03/93/598520393.db2.gz WXJLHDHJCJAZLR-PBHICJAKSA-N -1 3 393.447 3.006 20 0 GGADHM COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737149146 598520394 /nfs/dbraw/zinc/52/03/94/598520394.db2.gz WXJLHDHJCJAZLR-PBHICJAKSA-N -1 3 393.447 3.006 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1Cc2ccccc2O1 ZINC000738252273 598532073 /nfs/dbraw/zinc/53/20/73/598532073.db2.gz YDSRTTXXQYYDAD-HXUWFJFHSA-N -1 3 384.395 3.443 20 0 GGADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1Cc2ccccc2O1 ZINC000738252273 598532075 /nfs/dbraw/zinc/53/20/75/598532075.db2.gz YDSRTTXXQYYDAD-HXUWFJFHSA-N -1 3 384.395 3.443 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000737292576 598534848 /nfs/dbraw/zinc/53/48/48/598534848.db2.gz VSUDGWQMFSYTQF-CQSZACIVSA-N -1 3 396.455 3.093 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000737292576 598534849 /nfs/dbraw/zinc/53/48/49/598534849.db2.gz VSUDGWQMFSYTQF-CQSZACIVSA-N -1 3 396.455 3.093 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000738206098 598537001 /nfs/dbraw/zinc/53/70/01/598537001.db2.gz BXLPMUDYHPDSAN-LBPRGKRZSA-N -1 3 387.852 3.013 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000738206098 598537003 /nfs/dbraw/zinc/53/70/03/598537003.db2.gz BXLPMUDYHPDSAN-LBPRGKRZSA-N -1 3 387.852 3.013 20 0 GGADHM CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736577204 598537656 /nfs/dbraw/zinc/53/76/56/598537656.db2.gz DOHDIGWOYOCVNB-UHFFFAOYSA-N -1 3 388.884 3.405 20 0 GGADHM CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736577204 598537658 /nfs/dbraw/zinc/53/76/58/598537658.db2.gz DOHDIGWOYOCVNB-UHFFFAOYSA-N -1 3 388.884 3.405 20 0 GGADHM Cc1nnc(NCCCc2cccc(Br)c2)c(-c2nnn[n-]2)c1C ZINC000737522437 598538328 /nfs/dbraw/zinc/53/83/28/598538328.db2.gz SQDNSMBFNGVBFZ-UHFFFAOYSA-N -1 3 388.273 3.081 20 0 GGADHM Cc1nnc(NCCCc2cccc(Br)c2)c(-c2nn[n-]n2)c1C ZINC000737522437 598538329 /nfs/dbraw/zinc/53/83/29/598538329.db2.gz SQDNSMBFNGVBFZ-UHFFFAOYSA-N -1 3 388.273 3.081 20 0 GGADHM O=C(Oc1ccc(F)cc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738252256 598538376 /nfs/dbraw/zinc/53/83/76/598538376.db2.gz XVABUIKUUATTRT-UHFFFAOYSA-N -1 3 380.335 3.397 20 0 GGADHM Cc1csc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000737451470 598539484 /nfs/dbraw/zinc/53/94/84/598539484.db2.gz DMZHTYGTUWAULY-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1CCc2ccccc21 ZINC000738259052 598540119 /nfs/dbraw/zinc/54/01/19/598540119.db2.gz UPTGTHZCOBBDRZ-UHFFFAOYSA-N -1 3 387.399 3.242 20 0 GGADHM O=C(NC[C@@H]1CC=CCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738046757 598541133 /nfs/dbraw/zinc/54/11/33/598541133.db2.gz XSZSOBMYGGEAGV-CQSZACIVSA-N -1 3 379.420 3.125 20 0 GGADHM CCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736608889 598541493 /nfs/dbraw/zinc/54/14/93/598541493.db2.gz NDWWHJBCUNMJRO-UHFFFAOYSA-N -1 3 387.827 3.074 20 0 GGADHM CCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736608889 598541495 /nfs/dbraw/zinc/54/14/95/598541495.db2.gz NDWWHJBCUNMJRO-UHFFFAOYSA-N -1 3 387.827 3.074 20 0 GGADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736615393 598541849 /nfs/dbraw/zinc/54/18/49/598541849.db2.gz XSBQXPAKRSXQIE-PKOBYXMFSA-N -1 3 393.447 3.118 20 0 GGADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736615393 598541850 /nfs/dbraw/zinc/54/18/50/598541850.db2.gz XSBQXPAKRSXQIE-PKOBYXMFSA-N -1 3 393.447 3.118 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000736171192 598541892 /nfs/dbraw/zinc/54/18/92/598541892.db2.gz UMORECMAOMSCFB-GJZGRUSLSA-N -1 3 379.464 3.117 20 0 GGADHM O=C(NC[C@@H]1CCOc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738050881 598543766 /nfs/dbraw/zinc/54/37/66/598543766.db2.gz HZLVPQNLTNZPLW-NSHDSACASA-N -1 3 384.827 3.208 20 0 GGADHM O=C(NC[C@@H]1CCOc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738050881 598543767 /nfs/dbraw/zinc/54/37/67/598543767.db2.gz HZLVPQNLTNZPLW-NSHDSACASA-N -1 3 384.827 3.208 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736172993 598546302 /nfs/dbraw/zinc/54/63/02/598546302.db2.gz FMXQLLNNGCXXPZ-SECBINFHSA-N -1 3 393.325 3.013 20 0 GGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736172993 598546304 /nfs/dbraw/zinc/54/63/04/598546304.db2.gz FMXQLLNNGCXXPZ-SECBINFHSA-N -1 3 393.325 3.013 20 0 GGADHM CC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(Cl)cc1 ZINC000736356236 598546457 /nfs/dbraw/zinc/54/64/57/598546457.db2.gz DHMNFOTZKKWIQS-INIZCTEOSA-N -1 3 389.818 3.306 20 0 GGADHM CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(Cl)cc1 ZINC000736356236 598546459 /nfs/dbraw/zinc/54/64/59/598546459.db2.gz DHMNFOTZKKWIQS-INIZCTEOSA-N -1 3 389.818 3.306 20 0 GGADHM Cc1ccc(OCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(C)c1 ZINC000737363888 598546770 /nfs/dbraw/zinc/54/67/70/598546770.db2.gz GDBPWHTXTIFIJE-UHFFFAOYSA-N -1 3 389.362 3.102 20 0 GGADHM Cc1ccc(OCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(C)c1 ZINC000737363888 598546772 /nfs/dbraw/zinc/54/67/72/598546772.db2.gz GDBPWHTXTIFIJE-UHFFFAOYSA-N -1 3 389.362 3.102 20 0 GGADHM O=C(CCc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737852094 598547218 /nfs/dbraw/zinc/54/72/18/598547218.db2.gz BSZMMFWZUDHCDO-UHFFFAOYSA-N -1 3 377.326 3.179 20 0 GGADHM O=C(CCc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737852094 598547219 /nfs/dbraw/zinc/54/72/19/598547219.db2.gz BSZMMFWZUDHCDO-UHFFFAOYSA-N -1 3 377.326 3.179 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000738143864 598550112 /nfs/dbraw/zinc/55/01/12/598550112.db2.gz FQXBLSAIQPFXBU-SNVBAGLBSA-N -1 3 390.230 3.363 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000738143864 598550113 /nfs/dbraw/zinc/55/01/13/598550113.db2.gz FQXBLSAIQPFXBU-SNVBAGLBSA-N -1 3 390.230 3.363 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736653090 598550326 /nfs/dbraw/zinc/55/03/26/598550326.db2.gz FVKPIZJWNKAMPH-QGZVFWFLSA-N -1 3 399.426 3.051 20 0 GGADHM CCOc1ccccc1[C@@H](CC)NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736653090 598550328 /nfs/dbraw/zinc/55/03/28/598550328.db2.gz FVKPIZJWNKAMPH-QGZVFWFLSA-N -1 3 399.426 3.051 20 0 GGADHM COc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000826187778 607360421 /nfs/dbraw/zinc/36/04/21/607360421.db2.gz FDAZJYZLHRGFKY-UHFFFAOYSA-N -1 3 388.383 3.068 20 0 GGADHM COc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000826187778 607360422 /nfs/dbraw/zinc/36/04/22/607360422.db2.gz FDAZJYZLHRGFKY-UHFFFAOYSA-N -1 3 388.383 3.068 20 0 GGADHM CCCCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736455596 598554102 /nfs/dbraw/zinc/55/41/02/598554102.db2.gz BELRZVSFPQWCNL-OAHLLOKOSA-N -1 3 394.479 3.162 20 0 GGADHM CCCCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736455596 598554103 /nfs/dbraw/zinc/55/41/03/598554103.db2.gz BELRZVSFPQWCNL-OAHLLOKOSA-N -1 3 394.479 3.162 20 0 GGADHM CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736504475 598554479 /nfs/dbraw/zinc/55/44/79/598554479.db2.gz DYCJWHLXTWVFTD-INIZCTEOSA-N -1 3 393.491 3.288 20 0 GGADHM CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736504475 598554481 /nfs/dbraw/zinc/55/44/81/598554481.db2.gz DYCJWHLXTWVFTD-INIZCTEOSA-N -1 3 393.491 3.288 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccnc(F)c1 ZINC000738171195 598556169 /nfs/dbraw/zinc/55/61/69/598556169.db2.gz FRKJRCMCLGDWPT-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccnc(F)c1 ZINC000738171195 598556170 /nfs/dbraw/zinc/55/61/70/598556170.db2.gz FRKJRCMCLGDWPT-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736065823 598558841 /nfs/dbraw/zinc/55/88/41/598558841.db2.gz GRAGZSQAMXUPIP-SECBINFHSA-N -1 3 394.407 3.282 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736065823 598558843 /nfs/dbraw/zinc/55/88/43/598558843.db2.gz GRAGZSQAMXUPIP-SECBINFHSA-N -1 3 394.407 3.282 20 0 GGADHM NC(=O)[C@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccccc1 ZINC000737739558 598561054 /nfs/dbraw/zinc/56/10/54/598561054.db2.gz YSKZSTRCKMRMOC-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM NC(=O)[C@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccccc1 ZINC000737739558 598561056 /nfs/dbraw/zinc/56/10/56/598561056.db2.gz YSKZSTRCKMRMOC-LJQANCHMSA-N -1 3 386.415 3.298 20 0 GGADHM O=C(NCc1cccnc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738124270 598561098 /nfs/dbraw/zinc/56/10/98/598561098.db2.gz NPQIDPFLNQKZHZ-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM O=C(NCc1cccnc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738124270 598561099 /nfs/dbraw/zinc/56/10/99/598561099.db2.gz NPQIDPFLNQKZHZ-UHFFFAOYSA-N -1 3 387.403 3.376 20 0 GGADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@H]1C[C@@H]1c1ccccc1 ZINC000738147547 598562778 /nfs/dbraw/zinc/56/27/78/598562778.db2.gz ZKEMTCYRKVOKSK-OLZOCXBDSA-N -1 3 386.362 3.146 20 0 GGADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@H]1C[C@@H]1c1ccccc1 ZINC000738147547 598562779 /nfs/dbraw/zinc/56/27/79/598562779.db2.gz ZKEMTCYRKVOKSK-OLZOCXBDSA-N -1 3 386.362 3.146 20 0 GGADHM O=C(NC[C@H]1CCCOC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738047749 598565607 /nfs/dbraw/zinc/56/56/07/598565607.db2.gz AIADMPAOCWQMBX-CQSZACIVSA-N -1 3 394.435 3.207 20 0 GGADHM O=C(NC[C@H]1CCCOC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738047749 598565609 /nfs/dbraw/zinc/56/56/09/598565609.db2.gz AIADMPAOCWQMBX-CQSZACIVSA-N -1 3 394.435 3.207 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cc(Cl)ccc1OC ZINC000736629693 598565760 /nfs/dbraw/zinc/56/57/60/598565760.db2.gz ZMISBLQGMDBWAY-UHFFFAOYSA-N -1 3 388.811 3.076 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cc(Cl)ccc1OC ZINC000736629693 598565763 /nfs/dbraw/zinc/56/57/63/598565763.db2.gz ZMISBLQGMDBWAY-UHFFFAOYSA-N -1 3 388.811 3.076 20 0 GGADHM O=C(NCC[C@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738056200 598565876 /nfs/dbraw/zinc/56/58/76/598565876.db2.gz SRJXEIYEGCVKOG-MRXNPFEDSA-N -1 3 394.435 3.350 20 0 GGADHM O=C(NCC[C@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738056200 598565877 /nfs/dbraw/zinc/56/58/77/598565877.db2.gz SRJXEIYEGCVKOG-MRXNPFEDSA-N -1 3 394.435 3.350 20 0 GGADHM COC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000736964103 598565882 /nfs/dbraw/zinc/56/58/82/598565882.db2.gz ZFLOZNRWCCTXFF-UHFFFAOYSA-N -1 3 394.435 3.302 20 0 GGADHM COC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000736964103 598565883 /nfs/dbraw/zinc/56/58/83/598565883.db2.gz ZFLOZNRWCCTXFF-UHFFFAOYSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@H]1CCC[C@H](O)C1 ZINC000738173427 598566237 /nfs/dbraw/zinc/56/62/37/598566237.db2.gz QIHVIHGPRSRAOX-HOTGVXAUSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@H]1CCC[C@H](O)C1 ZINC000738173427 598566238 /nfs/dbraw/zinc/56/62/38/598566238.db2.gz QIHVIHGPRSRAOX-HOTGVXAUSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@@H]1CCCC[C@H]1O ZINC000738174306 598566437 /nfs/dbraw/zinc/56/64/37/598566437.db2.gz WVWYQRGXFYDOJH-QZTJIDSGSA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@@H]1CCCC[C@H]1O ZINC000738174306 598566438 /nfs/dbraw/zinc/56/64/38/598566438.db2.gz WVWYQRGXFYDOJH-QZTJIDSGSA-N -1 3 394.435 3.084 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736628593 598567904 /nfs/dbraw/zinc/56/79/04/598567904.db2.gz QVHSLNCKDYEMQB-CHWSQXEVSA-N -1 3 386.358 3.253 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736628593 598567907 /nfs/dbraw/zinc/56/79/07/598567907.db2.gz QVHSLNCKDYEMQB-CHWSQXEVSA-N -1 3 386.358 3.253 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736628594 598568099 /nfs/dbraw/zinc/56/80/99/598568099.db2.gz QVHSLNCKDYEMQB-OLZOCXBDSA-N -1 3 386.358 3.253 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736628594 598568100 /nfs/dbraw/zinc/56/81/00/598568100.db2.gz QVHSLNCKDYEMQB-OLZOCXBDSA-N -1 3 386.358 3.253 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCc2c(Cl)ccc(F)c21 ZINC000737925852 598570474 /nfs/dbraw/zinc/57/04/74/598570474.db2.gz XZDWQPVNGKLJRB-UHFFFAOYSA-N -1 3 387.802 3.017 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCc2c(Cl)ccc(F)c21 ZINC000737925852 598570475 /nfs/dbraw/zinc/57/04/75/598570475.db2.gz XZDWQPVNGKLJRB-UHFFFAOYSA-N -1 3 387.802 3.017 20 0 GGADHM O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738027254 598570507 /nfs/dbraw/zinc/57/05/07/598570507.db2.gz YCJLQUOXABXOTB-UXHICEINSA-N -1 3 388.475 3.029 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737262190 598570624 /nfs/dbraw/zinc/57/06/24/598570624.db2.gz CRKBRTORVWZUSB-QGZVFWFLSA-N -1 3 382.855 3.436 20 0 GGADHM O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000737856772 598572477 /nfs/dbraw/zinc/57/24/77/598572477.db2.gz DPTCWBCTDCXPSN-UHFFFAOYSA-N -1 3 377.326 3.337 20 0 GGADHM O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000737856772 598572478 /nfs/dbraw/zinc/57/24/78/598572478.db2.gz DPTCWBCTDCXPSN-UHFFFAOYSA-N -1 3 377.326 3.337 20 0 GGADHM COC(=O)c1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000736947151 598572982 /nfs/dbraw/zinc/57/29/82/598572982.db2.gz DRYNHEJMLDMDGO-UHFFFAOYSA-N -1 3 391.353 3.309 20 0 GGADHM COC(=O)c1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000736947151 598572984 /nfs/dbraw/zinc/57/29/84/598572984.db2.gz DRYNHEJMLDMDGO-UHFFFAOYSA-N -1 3 391.353 3.309 20 0 GGADHM FC(F)(F)c1cc(NCc2ccnc(N3CCCC3)c2)ccc1-c1nnn[n-]1 ZINC000737633357 598573520 /nfs/dbraw/zinc/57/35/20/598573520.db2.gz QRUHNKPTOWMKGL-UHFFFAOYSA-N -1 3 389.385 3.493 20 0 GGADHM FC(F)(F)c1cc(NCc2ccnc(N3CCCC3)c2)ccc1-c1nn[n-]n1 ZINC000737633357 598573521 /nfs/dbraw/zinc/57/35/21/598573521.db2.gz QRUHNKPTOWMKGL-UHFFFAOYSA-N -1 3 389.385 3.493 20 0 GGADHM CC(C)c1csc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735939254 598575352 /nfs/dbraw/zinc/57/53/52/598575352.db2.gz MHMSGHMMXROGGH-HNNXBMFYSA-N -1 3 383.481 3.054 20 0 GGADHM CC[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736351523 598576055 /nfs/dbraw/zinc/57/60/55/598576055.db2.gz RDNAOCPYNJSBFB-JXFKEZNVSA-N -1 3 390.491 3.146 20 0 GGADHM CSc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737191175 598576242 /nfs/dbraw/zinc/57/62/42/598576242.db2.gz RFOSKDZNXFCFQT-QGZVFWFLSA-N -1 3 380.477 3.196 20 0 GGADHM COc1ccccc1OCCN(C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737153003 598576542 /nfs/dbraw/zinc/57/65/42/598576542.db2.gz WFXLGTIOZZTCAN-UHFFFAOYSA-N -1 3 393.369 3.409 20 0 GGADHM COc1ccccc1OCCN(C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737153003 598576544 /nfs/dbraw/zinc/57/65/44/598576544.db2.gz WFXLGTIOZZTCAN-UHFFFAOYSA-N -1 3 393.369 3.409 20 0 GGADHM O=C(Oc1ccc(Cl)cc1F)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738251036 598576853 /nfs/dbraw/zinc/57/68/53/598576853.db2.gz LTJHOXGCXKQONM-OAHLLOKOSA-N -1 3 387.802 3.234 20 0 GGADHM O=C(OCc1cc2ccccc2o1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738236723 598576975 /nfs/dbraw/zinc/57/69/75/598576975.db2.gz RADRKJZBHRGEFJ-SFHVURJKSA-N -1 3 389.415 3.325 20 0 GGADHM O=C(Nc1cccc(Cl)c1F)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738184590 598577047 /nfs/dbraw/zinc/57/70/47/598577047.db2.gz SJRDKNRYPUALKK-OAHLLOKOSA-N -1 3 386.818 3.267 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736415654 598578480 /nfs/dbraw/zinc/57/84/80/598578480.db2.gz ICRUFSIVRCYTQU-GFCCVEGCSA-N -1 3 396.417 3.018 20 0 GGADHM CCCC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736415654 598578481 /nfs/dbraw/zinc/57/84/81/598578481.db2.gz ICRUFSIVRCYTQU-GFCCVEGCSA-N -1 3 396.417 3.018 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737319761 598578956 /nfs/dbraw/zinc/57/89/56/598578956.db2.gz GQQFOZCOHIDWDI-CZUORRHYSA-N -1 3 382.493 3.083 20 0 GGADHM O=C(Nc1cc(F)ccc1Cl)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738143844 598580365 /nfs/dbraw/zinc/58/03/65/598580365.db2.gz FKYHRNRAQWELSK-INIZCTEOSA-N -1 3 386.818 3.267 20 0 GGADHM CCN(C(=O)[C@@H]1CCOc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502868 598581822 /nfs/dbraw/zinc/58/18/22/598581822.db2.gz QHCMWQUBWWHJEC-KBXCAEBGSA-N -1 3 377.448 3.343 20 0 GGADHM CCN(C(=O)[C@@H]1CCOc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502868 598581823 /nfs/dbraw/zinc/58/18/23/598581823.db2.gz QHCMWQUBWWHJEC-KBXCAEBGSA-N -1 3 377.448 3.343 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Oc1cccnc1 ZINC000738166812 598584393 /nfs/dbraw/zinc/58/43/93/598584393.db2.gz WTSFWSLFROSBTF-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Oc1cccnc1 ZINC000738166812 598584395 /nfs/dbraw/zinc/58/43/95/598584395.db2.gz WTSFWSLFROSBTF-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000738166378 598584437 /nfs/dbraw/zinc/58/44/37/598584437.db2.gz SJHVTTDWKCLQPH-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000738166378 598584438 /nfs/dbraw/zinc/58/44/38/598584438.db2.gz SJHVTTDWKCLQPH-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738233807 598584688 /nfs/dbraw/zinc/58/46/88/598584688.db2.gz HBXKEXAGXQFFFB-UONOGXRCSA-N -1 3 395.369 3.245 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738233807 598584690 /nfs/dbraw/zinc/58/46/90/598584690.db2.gz HBXKEXAGXQFFFB-UONOGXRCSA-N -1 3 395.369 3.245 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737918277 598586751 /nfs/dbraw/zinc/58/67/51/598586751.db2.gz ABFASYAYROMUSH-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737918277 598586752 /nfs/dbraw/zinc/58/67/52/598586752.db2.gz ABFASYAYROMUSH-UHFFFAOYSA-N -1 3 382.182 3.330 20 0 GGADHM Cc1ocnc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737556188 598592122 /nfs/dbraw/zinc/59/21/22/598592122.db2.gz FUPABQXOCOWOGM-UHFFFAOYSA-N -1 3 394.366 3.134 20 0 GGADHM Cc1ocnc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737556188 598592123 /nfs/dbraw/zinc/59/21/23/598592123.db2.gz FUPABQXOCOWOGM-UHFFFAOYSA-N -1 3 394.366 3.134 20 0 GGADHM O=C(C=Cc1ccc(Br)o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737796879 598592127 /nfs/dbraw/zinc/59/21/27/598592127.db2.gz PCMIAOCAFPBPIK-UTCJRWHESA-N -1 3 378.161 3.013 20 0 GGADHM O=C(C=Cc1ccc(Br)o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737796879 598592129 /nfs/dbraw/zinc/59/21/29/598592129.db2.gz PCMIAOCAFPBPIK-UTCJRWHESA-N -1 3 378.161 3.013 20 0 GGADHM CCO[C@H](CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736618547 598592311 /nfs/dbraw/zinc/59/23/11/598592311.db2.gz UZJLQCDCNNKPKE-QGZVFWFLSA-N -1 3 399.426 3.338 20 0 GGADHM CCO[C@H](CC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736618547 598592312 /nfs/dbraw/zinc/59/23/12/598592312.db2.gz UZJLQCDCNNKPKE-QGZVFWFLSA-N -1 3 399.426 3.338 20 0 GGADHM COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737098385 598598169 /nfs/dbraw/zinc/59/81/69/598598169.db2.gz CXSPUGBTLJPOJO-UHFFFAOYSA-N -1 3 390.806 3.109 20 0 GGADHM COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737098385 598598171 /nfs/dbraw/zinc/59/81/71/598598171.db2.gz CXSPUGBTLJPOJO-UHFFFAOYSA-N -1 3 390.806 3.109 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000737056239 598600667 /nfs/dbraw/zinc/60/06/67/598600667.db2.gz ALJKOKIXPCKDAF-UHFFFAOYSA-N -1 3 382.424 3.445 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000737056239 598600669 /nfs/dbraw/zinc/60/06/69/598600669.db2.gz ALJKOKIXPCKDAF-UHFFFAOYSA-N -1 3 382.424 3.445 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1Cl ZINC000737899075 598603563 /nfs/dbraw/zinc/60/35/63/598603563.db2.gz PJUYMHCSITZGSN-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1Cl ZINC000737899075 598603564 /nfs/dbraw/zinc/60/35/64/598603564.db2.gz PJUYMHCSITZGSN-UHFFFAOYSA-N -1 3 381.198 3.363 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000737899535 598604369 /nfs/dbraw/zinc/60/43/69/598604369.db2.gz ROMAWAWOSIFCOI-UHFFFAOYSA-N -1 3 380.305 3.075 20 0 GGADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000737899535 598604371 /nfs/dbraw/zinc/60/43/71/598604371.db2.gz ROMAWAWOSIFCOI-UHFFFAOYSA-N -1 3 380.305 3.075 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1C1CCC1 ZINC000738085889 598606529 /nfs/dbraw/zinc/60/65/29/598606529.db2.gz OSAVWTNDWHXNPD-QGZVFWFLSA-N -1 3 386.525 3.074 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1C1CCC1 ZINC000738085889 598606532 /nfs/dbraw/zinc/60/65/32/598606532.db2.gz OSAVWTNDWHXNPD-QGZVFWFLSA-N -1 3 386.525 3.074 20 0 GGADHM c1cc(-c2nn[n-]n2)ccc1OCc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000738413621 598608937 /nfs/dbraw/zinc/60/89/37/598608937.db2.gz YWAKAGXKGWEASL-UHFFFAOYSA-N -1 3 378.436 3.297 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCc1nc(C2CCCCC2)no1 ZINC000737033763 598609529 /nfs/dbraw/zinc/60/95/29/598609529.db2.gz STCIFTYOWHSQQQ-UHFFFAOYSA-N -1 3 384.440 3.318 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCc1nc(C2CCCCC2)no1 ZINC000737033763 598609531 /nfs/dbraw/zinc/60/95/31/598609531.db2.gz STCIFTYOWHSQQQ-UHFFFAOYSA-N -1 3 384.440 3.318 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCc1nc(Cc2ccccc2Cl)no1 ZINC000737033538 598609815 /nfs/dbraw/zinc/60/98/15/598609815.db2.gz ZMCNZKGIPLTPEW-UHFFFAOYSA-N -1 3 398.810 3.082 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCc1nc(Cc2ccccc2Cl)no1 ZINC000737033538 598609817 /nfs/dbraw/zinc/60/98/17/598609817.db2.gz ZMCNZKGIPLTPEW-UHFFFAOYSA-N -1 3 398.810 3.082 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737895241 598613437 /nfs/dbraw/zinc/61/34/37/598613437.db2.gz NQCSFISBHDTIKO-QUCCMNQESA-N -1 3 390.491 3.196 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736627733 598616632 /nfs/dbraw/zinc/61/66/32/598616632.db2.gz MQDUWAOIGOWZOH-UHFFFAOYSA-N -1 3 375.388 3.480 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736627733 598616634 /nfs/dbraw/zinc/61/66/34/598616634.db2.gz MQDUWAOIGOWZOH-UHFFFAOYSA-N -1 3 375.388 3.480 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738115432 598617751 /nfs/dbraw/zinc/61/77/51/598617751.db2.gz AIDGDFDHFSVMHH-AZUAARDMSA-N -1 3 390.491 3.467 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738115432 598617752 /nfs/dbraw/zinc/61/77/52/598617752.db2.gz AIDGDFDHFSVMHH-AZUAARDMSA-N -1 3 390.491 3.467 20 0 GGADHM CN(C)c1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000736819658 598627019 /nfs/dbraw/zinc/62/70/19/598627019.db2.gz GWXLXDRSHOWEIR-UHFFFAOYSA-N -1 3 385.859 3.250 20 0 GGADHM CN(C)c1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000736819658 598627021 /nfs/dbraw/zinc/62/70/21/598627021.db2.gz GWXLXDRSHOWEIR-UHFFFAOYSA-N -1 3 385.859 3.250 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000738163125 598627089 /nfs/dbraw/zinc/62/70/89/598627089.db2.gz OPVBZVQSQMFSNP-OAHLLOKOSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000738163125 598627091 /nfs/dbraw/zinc/62/70/91/598627091.db2.gz OPVBZVQSQMFSNP-OAHLLOKOSA-N -1 3 384.390 3.384 20 0 GGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736695075 598627738 /nfs/dbraw/zinc/62/77/38/598627738.db2.gz HXTKEIKDHNIFIB-INIZCTEOSA-N -1 3 382.399 3.214 20 0 GGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736695075 598627740 /nfs/dbraw/zinc/62/77/40/598627740.db2.gz HXTKEIKDHNIFIB-INIZCTEOSA-N -1 3 382.399 3.214 20 0 GGADHM O=C(NCc1ccccc1C(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738115955 598628241 /nfs/dbraw/zinc/62/82/41/598628241.db2.gz GOILOIKUVMFZJO-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM O=C(NCc1ccccc1C(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738115955 598628243 /nfs/dbraw/zinc/62/82/43/598628243.db2.gz GOILOIKUVMFZJO-UHFFFAOYSA-N -1 3 380.305 3.346 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737113680 598628247 /nfs/dbraw/zinc/62/82/47/598628247.db2.gz DPYBPVCILZJAJN-KRWDZBQOSA-N -1 3 382.399 3.214 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737113680 598628249 /nfs/dbraw/zinc/62/82/49/598628249.db2.gz DPYBPVCILZJAJN-KRWDZBQOSA-N -1 3 382.399 3.214 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000738164409 598628774 /nfs/dbraw/zinc/62/87/74/598628774.db2.gz ZEIDSRVIFVWACK-HNNXBMFYSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000738164409 598628776 /nfs/dbraw/zinc/62/87/76/598628776.db2.gz ZEIDSRVIFVWACK-HNNXBMFYSA-N -1 3 384.390 3.384 20 0 GGADHM O=C(NCCCCOCCc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738055180 598629907 /nfs/dbraw/zinc/62/99/07/598629907.db2.gz TXBHWIVHOKFPJF-UHFFFAOYSA-N -1 3 398.442 3.167 20 0 GGADHM O=C(NCCCCOCCc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738055180 598629908 /nfs/dbraw/zinc/62/99/08/598629908.db2.gz TXBHWIVHOKFPJF-UHFFFAOYSA-N -1 3 398.442 3.167 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(OCc2ccccc2)CC1 ZINC000738160750 598633187 /nfs/dbraw/zinc/63/31/87/598633187.db2.gz AIMCBTSPPKHDGP-UHFFFAOYSA-N -1 3 396.426 3.219 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(OCc2ccccc2)CC1 ZINC000738160750 598633188 /nfs/dbraw/zinc/63/31/88/598633188.db2.gz AIMCBTSPPKHDGP-UHFFFAOYSA-N -1 3 396.426 3.219 20 0 GGADHM Cc1cccc(NC(=O)[C@@H]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)C2)n1 ZINC000737401313 598634664 /nfs/dbraw/zinc/63/46/64/598634664.db2.gz XEQJJPFMHQQISJ-CYBMUJFWSA-N -1 3 397.870 3.079 20 0 GGADHM Cc1cccc(NC(=O)[C@@H]2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)C2)n1 ZINC000737401313 598634666 /nfs/dbraw/zinc/63/46/66/598634666.db2.gz XEQJJPFMHQQISJ-CYBMUJFWSA-N -1 3 397.870 3.079 20 0 GGADHM O=C(NC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC000738032206 598635709 /nfs/dbraw/zinc/63/57/09/598635709.db2.gz MMOHEHBIEUNQJZ-UHFFFAOYSA-N -1 3 388.903 3.185 20 0 GGADHM O=C(NC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC000738032206 598635710 /nfs/dbraw/zinc/63/57/10/598635710.db2.gz MMOHEHBIEUNQJZ-UHFFFAOYSA-N -1 3 388.903 3.185 20 0 GGADHM Clc1cc(N[C@H](CN2CCOCC2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737566483 598637714 /nfs/dbraw/zinc/63/77/14/598637714.db2.gz TZOIYQOLLFSRDZ-GOSISDBHSA-N -1 3 384.871 3.006 20 0 GGADHM Clc1cc(N[C@H](CN2CCOCC2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737566483 598637716 /nfs/dbraw/zinc/63/77/16/598637716.db2.gz TZOIYQOLLFSRDZ-GOSISDBHSA-N -1 3 384.871 3.006 20 0 GGADHM CCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736713703 598642372 /nfs/dbraw/zinc/64/23/72/598642372.db2.gz LWYJRMFFAXNEHL-UHFFFAOYSA-N -1 3 382.424 3.028 20 0 GGADHM CCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736713703 598642374 /nfs/dbraw/zinc/64/23/74/598642374.db2.gz LWYJRMFFAXNEHL-UHFFFAOYSA-N -1 3 382.424 3.028 20 0 GGADHM COc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)n2C)cc1 ZINC000737057985 598642982 /nfs/dbraw/zinc/64/29/82/598642982.db2.gz VSFOEBIZCPDVMW-UHFFFAOYSA-N -1 3 397.439 3.102 20 0 GGADHM COc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)n2C)cc1 ZINC000737057985 598642984 /nfs/dbraw/zinc/64/29/84/598642984.db2.gz VSFOEBIZCPDVMW-UHFFFAOYSA-N -1 3 397.439 3.102 20 0 GGADHM COCCOc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000737011147 598647028 /nfs/dbraw/zinc/64/70/28/598647028.db2.gz NNPOXTHMVAPRFP-UHFFFAOYSA-N -1 3 399.476 3.085 20 0 GGADHM COCCOc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000737011147 598647029 /nfs/dbraw/zinc/64/70/29/598647029.db2.gz NNPOXTHMVAPRFP-UHFFFAOYSA-N -1 3 399.476 3.085 20 0 GGADHM O=C(CC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737825614 598647156 /nfs/dbraw/zinc/64/71/56/598647156.db2.gz MQNHIVFLLGPXBD-LBPRGKRZSA-N -1 3 375.498 3.485 20 0 GGADHM O=C(CC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737825614 598647158 /nfs/dbraw/zinc/64/71/58/598647158.db2.gz MQNHIVFLLGPXBD-LBPRGKRZSA-N -1 3 375.498 3.485 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccn1)C1CC1 ZINC000737831630 598648778 /nfs/dbraw/zinc/64/87/78/598648778.db2.gz BZJXBZGQQMOEBX-UHFFFAOYSA-N -1 3 392.463 3.002 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccn1)C1CC1 ZINC000737831630 598648779 /nfs/dbraw/zinc/64/87/79/598648779.db2.gz BZJXBZGQQMOEBX-UHFFFAOYSA-N -1 3 392.463 3.002 20 0 GGADHM Cc1ccc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737313093 598648874 /nfs/dbraw/zinc/64/88/74/598648874.db2.gz PWJTWSQIGAUXTF-UHFFFAOYSA-N -1 3 387.896 3.492 20 0 GGADHM Cc1ccc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737313093 598648875 /nfs/dbraw/zinc/64/88/75/598648875.db2.gz PWJTWSQIGAUXTF-UHFFFAOYSA-N -1 3 387.896 3.492 20 0 GGADHM Cc1nnc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737520876 598648956 /nfs/dbraw/zinc/64/89/56/598648956.db2.gz MCNHDELNMFQIAI-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM Cc1ccc(CSCCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737343073 598649107 /nfs/dbraw/zinc/64/91/07/598649107.db2.gz MASNESJKQBVDQZ-UHFFFAOYSA-N -1 3 399.545 3.317 20 0 GGADHM Cc1ccc(CSCCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737343073 598649109 /nfs/dbraw/zinc/64/91/09/598649109.db2.gz MASNESJKQBVDQZ-UHFFFAOYSA-N -1 3 399.545 3.317 20 0 GGADHM C[C@@H](Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136083 598649902 /nfs/dbraw/zinc/64/99/02/598649902.db2.gz FAQKKWBXAOZNIN-SNVBAGLBSA-N -1 3 379.392 3.036 20 0 GGADHM C[C@@H](Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136083 598649904 /nfs/dbraw/zinc/64/99/04/598649904.db2.gz FAQKKWBXAOZNIN-SNVBAGLBSA-N -1 3 379.392 3.036 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736065369 598651171 /nfs/dbraw/zinc/65/11/71/598651171.db2.gz CYIXWZFPHXZRSV-CQSZACIVSA-N -1 3 385.493 3.225 20 0 GGADHM C[C@H](Cc1cccs1)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736065369 598651172 /nfs/dbraw/zinc/65/11/72/598651172.db2.gz CYIXWZFPHXZRSV-CQSZACIVSA-N -1 3 385.493 3.225 20 0 GGADHM CC(C)CN(C(=O)c1cc2c(s1)CCOC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818301 598651295 /nfs/dbraw/zinc/65/12/95/598651295.db2.gz LQOWUWYXURZPGQ-UHFFFAOYSA-N -1 3 383.477 3.304 20 0 GGADHM CC(C)CN(C(=O)c1cc2c(s1)CCOC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818301 598651296 /nfs/dbraw/zinc/65/12/96/598651296.db2.gz LQOWUWYXURZPGQ-UHFFFAOYSA-N -1 3 383.477 3.304 20 0 GGADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(OC)c1 ZINC000736501557 598651793 /nfs/dbraw/zinc/65/17/93/598651793.db2.gz FETMNPPRPJZAPQ-UHFFFAOYSA-N -1 3 395.463 3.478 20 0 GGADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(OC)c1 ZINC000736501557 598651794 /nfs/dbraw/zinc/65/17/94/598651794.db2.gz FETMNPPRPJZAPQ-UHFFFAOYSA-N -1 3 395.463 3.478 20 0 GGADHM CCN(C(=O)c1cc2c(s1)CCOC2)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506018 598652051 /nfs/dbraw/zinc/65/20/51/598652051.db2.gz OHUSKLAMMKZTPY-LBPRGKRZSA-N -1 3 383.477 3.224 20 0 GGADHM CCN(C(=O)c1cc2c(s1)CCOC2)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506018 598652053 /nfs/dbraw/zinc/65/20/53/598652053.db2.gz OHUSKLAMMKZTPY-LBPRGKRZSA-N -1 3 383.477 3.224 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736234888 598652494 /nfs/dbraw/zinc/65/24/94/598652494.db2.gz COAFFGYDSRDNRF-KBXCAEBGSA-N -1 3 395.463 3.449 20 0 GGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736234888 598652496 /nfs/dbraw/zinc/65/24/96/598652496.db2.gz COAFFGYDSRDNRF-KBXCAEBGSA-N -1 3 395.463 3.449 20 0 GGADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1OC ZINC000737095291 598653058 /nfs/dbraw/zinc/65/30/58/598653058.db2.gz GWIZTCQYMZZPPN-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1OC ZINC000737095291 598653059 /nfs/dbraw/zinc/65/30/59/598653059.db2.gz GWIZTCQYMZZPPN-UHFFFAOYSA-N -1 3 375.816 3.158 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCc2c1cccc2F ZINC000737833437 598655494 /nfs/dbraw/zinc/65/54/94/598655494.db2.gz RRVZFISTLULOQT-LJQANCHMSA-N -1 3 395.438 3.359 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2c1cccc2F ZINC000737833437 598655496 /nfs/dbraw/zinc/65/54/96/598655496.db2.gz RRVZFISTLULOQT-LJQANCHMSA-N -1 3 395.438 3.359 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000737941247 598655626 /nfs/dbraw/zinc/65/56/26/598655626.db2.gz JSUXQHGMRYDPOC-INIZCTEOSA-N -1 3 385.880 3.416 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000737941247 598655628 /nfs/dbraw/zinc/65/56/28/598655628.db2.gz JSUXQHGMRYDPOC-INIZCTEOSA-N -1 3 385.880 3.416 20 0 GGADHM C[C@H](c1cccnc1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736199914 598655814 /nfs/dbraw/zinc/65/58/14/598655814.db2.gz BXIZHKUAOQBJAO-OAHLLOKOSA-N -1 3 380.452 3.030 20 0 GGADHM C[C@H](c1cccnc1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736199914 598655816 /nfs/dbraw/zinc/65/58/16/598655816.db2.gz BXIZHKUAOQBJAO-OAHLLOKOSA-N -1 3 380.452 3.030 20 0 GGADHM Cn1cnc2c1ncnc2Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737619469 598656613 /nfs/dbraw/zinc/65/66/13/598656613.db2.gz SMQFRMDOTJDJFD-UHFFFAOYSA-N -1 3 385.391 3.079 20 0 GGADHM Cn1cnc2c1ncnc2Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737619469 598656615 /nfs/dbraw/zinc/65/66/15/598656615.db2.gz SMQFRMDOTJDJFD-UHFFFAOYSA-N -1 3 385.391 3.079 20 0 GGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2[nH]1 ZINC000736362483 598658196 /nfs/dbraw/zinc/65/81/96/598658196.db2.gz JVIXWOLONFLXAR-CQSZACIVSA-N -1 3 393.476 3.103 20 0 GGADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000736362483 598658197 /nfs/dbraw/zinc/65/81/97/598658197.db2.gz JVIXWOLONFLXAR-CQSZACIVSA-N -1 3 393.476 3.103 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000735580756 598659803 /nfs/dbraw/zinc/65/98/03/598659803.db2.gz IQTQKONYVXACQU-UHFFFAOYSA-N -1 3 376.342 3.197 20 0 GGADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000735580756 598659806 /nfs/dbraw/zinc/65/98/06/598659806.db2.gz IQTQKONYVXACQU-UHFFFAOYSA-N -1 3 376.342 3.197 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000736184943 598659995 /nfs/dbraw/zinc/65/99/95/598659995.db2.gz PXSMWPXNYBGHET-ZDUSSCGKSA-N -1 3 399.882 3.425 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000736184943 598659996 /nfs/dbraw/zinc/65/99/96/598659996.db2.gz PXSMWPXNYBGHET-ZDUSSCGKSA-N -1 3 399.882 3.425 20 0 GGADHM CC(C)(CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000735670201 598660865 /nfs/dbraw/zinc/66/08/65/598660865.db2.gz IKJZJLCHRWQEMU-UHFFFAOYSA-N -1 3 399.495 3.333 20 0 GGADHM CC(C)(CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000735670201 598660867 /nfs/dbraw/zinc/66/08/67/598660867.db2.gz IKJZJLCHRWQEMU-UHFFFAOYSA-N -1 3 399.495 3.333 20 0 GGADHM O=C(Nc1ccc(F)cn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738166275 598661078 /nfs/dbraw/zinc/66/10/78/598661078.db2.gz RUFIXVGPUQCKLL-UHFFFAOYSA-N -1 3 376.351 3.445 20 0 GGADHM CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000736738048 598661493 /nfs/dbraw/zinc/66/14/93/598661493.db2.gz ZBIPLIJSGQHONO-MRXNPFEDSA-N -1 3 391.353 3.008 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1CCC(C(F)(F)F)CC1 ZINC000737941877 598664919 /nfs/dbraw/zinc/66/49/19/598664919.db2.gz FRTFABNCEKXXBR-UHFFFAOYSA-N -1 3 385.415 3.196 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1CCC(C(F)(F)F)CC1 ZINC000737941877 598664921 /nfs/dbraw/zinc/66/49/21/598664921.db2.gz FRTFABNCEKXXBR-UHFFFAOYSA-N -1 3 385.415 3.196 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000737943620 598665436 /nfs/dbraw/zinc/66/54/36/598665436.db2.gz SPNMLTPYLVHQGM-NEPJUHHUSA-N -1 3 385.415 3.196 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000737943620 598665438 /nfs/dbraw/zinc/66/54/38/598665438.db2.gz SPNMLTPYLVHQGM-NEPJUHHUSA-N -1 3 385.415 3.196 20 0 GGADHM Cc1cccc2c1CCN(C(=O)CCCCOc1cccc(-c3nnn[n-]3)c1)C2 ZINC000737410518 598665793 /nfs/dbraw/zinc/66/57/93/598665793.db2.gz TZFPCIQOGDRYEZ-UHFFFAOYSA-N -1 3 391.475 3.309 20 0 GGADHM Cc1cccc2c1CCN(C(=O)CCCCOc1cccc(-c3nn[n-]n3)c1)C2 ZINC000737410518 598665794 /nfs/dbraw/zinc/66/57/94/598665794.db2.gz TZFPCIQOGDRYEZ-UHFFFAOYSA-N -1 3 391.475 3.309 20 0 GGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736290785 598667918 /nfs/dbraw/zinc/66/79/18/598667918.db2.gz BZFRNJDHGNJHTB-ZOCZFRKYSA-N -1 3 391.475 3.176 20 0 GGADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736290785 598667919 /nfs/dbraw/zinc/66/79/19/598667919.db2.gz BZFRNJDHGNJHTB-ZOCZFRKYSA-N -1 3 391.475 3.176 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736167783 598668921 /nfs/dbraw/zinc/66/89/21/598668921.db2.gz GKLIUXVLEHAKIS-CJNGLKHVSA-N -1 3 397.866 3.304 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)N1CCC[C@H]1C1CC1 ZINC000738274711 598669642 /nfs/dbraw/zinc/66/96/42/598669642.db2.gz WXQXHAMQVOYOTQ-FQEVSTJZSA-N -1 3 389.459 3.460 20 0 GGADHM O=C(c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N1CCC[C@H]1C1CC1 ZINC000738274711 598669644 /nfs/dbraw/zinc/66/96/44/598669644.db2.gz WXQXHAMQVOYOTQ-FQEVSTJZSA-N -1 3 389.459 3.460 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735933087 598670297 /nfs/dbraw/zinc/67/02/97/598670297.db2.gz UCAUHHUTUDBHOW-UHFFFAOYSA-N -1 3 397.504 3.277 20 0 GGADHM CC(C)c1ccccc1OCCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735933087 598670298 /nfs/dbraw/zinc/67/02/98/598670298.db2.gz UCAUHHUTUDBHOW-UHFFFAOYSA-N -1 3 397.504 3.277 20 0 GGADHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1OC ZINC000737090218 598671090 /nfs/dbraw/zinc/67/10/90/598671090.db2.gz JWNAHJHABGRVPD-UHFFFAOYSA-N -1 3 389.843 3.201 20 0 GGADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1OC ZINC000737090218 598671091 /nfs/dbraw/zinc/67/10/91/598671091.db2.gz JWNAHJHABGRVPD-UHFFFAOYSA-N -1 3 389.843 3.201 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737929818 598671846 /nfs/dbraw/zinc/67/18/46/598671846.db2.gz IGWAANUTRNPULM-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737929818 598671847 /nfs/dbraw/zinc/67/18/47/598671847.db2.gz IGWAANUTRNPULM-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM NC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000737730404 598675189 /nfs/dbraw/zinc/67/51/89/598675189.db2.gz KFOONKJQYJFCQW-UHFFFAOYSA-N -1 3 380.305 3.071 20 0 GGADHM NC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000737730404 598675191 /nfs/dbraw/zinc/67/51/91/598675191.db2.gz KFOONKJQYJFCQW-UHFFFAOYSA-N -1 3 380.305 3.071 20 0 GGADHM CCN(Cc1nccn1CC(F)(F)F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555311 598679516 /nfs/dbraw/zinc/67/95/16/598679516.db2.gz FQEOBFLGPMKCEC-GFCCVEGCSA-N -1 3 379.390 3.209 20 0 GGADHM Cc1oc(NC(=O)CN(C)[C@@H](C)c2cccc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000822542234 607364762 /nfs/dbraw/zinc/36/47/62/607364762.db2.gz WCUFZSMUEICDQT-NSHDSACASA-N -1 3 388.859 3.361 20 0 GGADHM Cc1oc(NC(=O)CN(C)[C@@H](C)c2cccc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000822542234 607364763 /nfs/dbraw/zinc/36/47/63/607364763.db2.gz WCUFZSMUEICDQT-NSHDSACASA-N -1 3 388.859 3.361 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)on1 ZINC000737265637 598683144 /nfs/dbraw/zinc/68/31/44/598683144.db2.gz STBUSJCLHMQVTN-QGZVFWFLSA-N -1 3 396.451 3.076 20 0 GGADHM Cc1cc([C@H]2CCCN2C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)on1 ZINC000737265637 598683146 /nfs/dbraw/zinc/68/31/46/598683146.db2.gz STBUSJCLHMQVTN-QGZVFWFLSA-N -1 3 396.451 3.076 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@H]1c1ccccc1 ZINC000737832718 598683696 /nfs/dbraw/zinc/68/36/96/598683696.db2.gz KMRRUPIYGJUQMW-IBGZPJMESA-N -1 3 377.448 3.389 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@H]1c1ccccc1 ZINC000737832718 598683698 /nfs/dbraw/zinc/68/36/98/598683698.db2.gz KMRRUPIYGJUQMW-IBGZPJMESA-N -1 3 377.448 3.389 20 0 GGADHM O=C(Nc1cccnc1Cl)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738195928 598683745 /nfs/dbraw/zinc/68/37/45/598683745.db2.gz KAOYGSSJLRQVGX-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1cccnc1Cl)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738195928 598683747 /nfs/dbraw/zinc/68/37/47/598683747.db2.gz KAOYGSSJLRQVGX-UHFFFAOYSA-N -1 3 393.794 3.355 20 0 GGADHM O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738174559 598683867 /nfs/dbraw/zinc/68/38/67/598683867.db2.gz KGTJUUJXYPGOJQ-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738174559 598683869 /nfs/dbraw/zinc/68/38/69/598683869.db2.gz KGTJUUJXYPGOJQ-UHFFFAOYSA-N -1 3 398.386 3.183 20 0 GGADHM CC(C)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735747120 598684474 /nfs/dbraw/zinc/68/44/74/598684474.db2.gz BKTXNLBJLLJEQB-KRWDZBQOSA-N -1 3 378.436 3.315 20 0 GGADHM CC(C)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735747120 598684476 /nfs/dbraw/zinc/68/44/76/598684476.db2.gz BKTXNLBJLLJEQB-KRWDZBQOSA-N -1 3 378.436 3.315 20 0 GGADHM Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737246997 598686951 /nfs/dbraw/zinc/68/69/51/598686951.db2.gz WYSDTMNHCQFPMA-UHFFFAOYSA-N -1 3 390.440 3.379 20 0 GGADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737316796 598687032 /nfs/dbraw/zinc/68/70/32/598687032.db2.gz FRPFDFDQABOSCH-UHFFFAOYSA-N -1 3 376.413 3.205 20 0 GGADHM C[C@H](c1ccccc1)N(C)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736204501 598696148 /nfs/dbraw/zinc/69/61/48/598696148.db2.gz QGZMINHCVLLHRA-CYBMUJFWSA-N -1 3 385.468 3.459 20 0 GGADHM C[C@H](c1ccccc1)N(C)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736204501 598696150 /nfs/dbraw/zinc/69/61/50/598696150.db2.gz QGZMINHCVLLHRA-CYBMUJFWSA-N -1 3 385.468 3.459 20 0 GGADHM Fc1ccc(CSCCCOc2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC000737650231 598696750 /nfs/dbraw/zinc/69/67/50/598696750.db2.gz PSJJYXQZHQGBEU-UHFFFAOYSA-N -1 3 388.424 3.437 20 0 GGADHM Fc1ccc(CSCCCOc2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC000737650231 598696752 /nfs/dbraw/zinc/69/67/52/598696752.db2.gz PSJJYXQZHQGBEU-UHFFFAOYSA-N -1 3 388.424 3.437 20 0 GGADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000737850316 598697578 /nfs/dbraw/zinc/69/75/78/598697578.db2.gz RLTKGINZKJIHOZ-UHFFFAOYSA-N -1 3 383.452 3.218 20 0 GGADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000737850316 598697579 /nfs/dbraw/zinc/69/75/79/598697579.db2.gz RLTKGINZKJIHOZ-UHFFFAOYSA-N -1 3 383.452 3.218 20 0 GGADHM CCOC(=O)Nc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736604356 598699720 /nfs/dbraw/zinc/69/97/20/598699720.db2.gz WZXGQLGTRXLHHJ-UHFFFAOYSA-N -1 3 383.408 3.283 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737931241 598708646 /nfs/dbraw/zinc/70/86/46/598708646.db2.gz SBEGELNSUDPCBA-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM O=C(COc1ccccc1C(F)(F)F)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737931241 598708648 /nfs/dbraw/zinc/70/86/48/598708648.db2.gz SBEGELNSUDPCBA-UHFFFAOYSA-N -1 3 396.300 3.147 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c2nc1C ZINC000737487849 598710004 /nfs/dbraw/zinc/71/00/04/598710004.db2.gz KHBOATSNOXASBU-UHFFFAOYSA-N -1 3 396.357 3.062 20 0 GGADHM Cc1nc2cc(F)cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c2nc1C ZINC000737487849 598710006 /nfs/dbraw/zinc/71/00/06/598710006.db2.gz KHBOATSNOXASBU-UHFFFAOYSA-N -1 3 396.357 3.062 20 0 GGADHM CC(C)(C)c1nc(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000735656540 598710358 /nfs/dbraw/zinc/71/03/58/598710358.db2.gz IYJKTBVYOQUIDE-UHFFFAOYSA-N -1 3 375.429 3.046 20 0 GGADHM CC(C)(C)c1nc(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000735656540 598710360 /nfs/dbraw/zinc/71/03/60/598710360.db2.gz IYJKTBVYOQUIDE-UHFFFAOYSA-N -1 3 375.429 3.046 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737954362 598711419 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GGADHM Cc1ccc(C)c(OCCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737326226 598713809 /nfs/dbraw/zinc/71/38/09/598713809.db2.gz NLEXNXUIEXSASN-UHFFFAOYSA-N -1 3 384.461 3.198 20 0 GGADHM Cc1ccc(C)c(OCCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737326226 598713810 /nfs/dbraw/zinc/71/38/10/598713810.db2.gz NLEXNXUIEXSASN-UHFFFAOYSA-N -1 3 384.461 3.198 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCCOc1ccc(F)cc1 ZINC000737946857 598713900 /nfs/dbraw/zinc/71/39/00/598713900.db2.gz HATGPLSUBQFXRS-UHFFFAOYSA-N -1 3 388.424 3.110 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCCOc1ccc(F)cc1 ZINC000737946857 598713902 /nfs/dbraw/zinc/71/39/02/598713902.db2.gz HATGPLSUBQFXRS-UHFFFAOYSA-N -1 3 388.424 3.110 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(OC(F)F)cc1 ZINC000737948995 598714837 /nfs/dbraw/zinc/71/48/37/598714837.db2.gz VBBOTPWVLCUTKB-UHFFFAOYSA-N -1 3 392.387 3.304 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(OC(F)F)cc1 ZINC000737948995 598714839 /nfs/dbraw/zinc/71/48/39/598714839.db2.gz VBBOTPWVLCUTKB-UHFFFAOYSA-N -1 3 392.387 3.304 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC(=O)c1cccc(Cl)c1 ZINC000737949608 598715765 /nfs/dbraw/zinc/71/57/65/598715765.db2.gz ZCTGUIVUPLVXON-UHFFFAOYSA-N -1 3 388.836 3.038 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC(=O)c1cccc(Cl)c1 ZINC000737949608 598715767 /nfs/dbraw/zinc/71/57/67/598715767.db2.gz ZCTGUIVUPLVXON-UHFFFAOYSA-N -1 3 388.836 3.038 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cs1 ZINC000736698833 598715924 /nfs/dbraw/zinc/71/59/24/598715924.db2.gz LJHFENYXDCPHOB-SNVBAGLBSA-N -1 3 388.501 3.325 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cs1 ZINC000736698833 598715925 /nfs/dbraw/zinc/71/59/25/598715925.db2.gz LJHFENYXDCPHOB-SNVBAGLBSA-N -1 3 388.501 3.325 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)N1CCC[C@H]1C1CC1 ZINC000738173351 598717295 /nfs/dbraw/zinc/71/72/95/598717295.db2.gz OWYYMXSCLDZOBI-KRWDZBQOSA-N -1 3 391.435 3.460 20 0 GGADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)N1CCC[C@H]1C1CC1 ZINC000738173351 598717297 /nfs/dbraw/zinc/71/72/97/598717297.db2.gz OWYYMXSCLDZOBI-KRWDZBQOSA-N -1 3 391.435 3.460 20 0 GGADHM COc1ccc(C2(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC000737077508 598725433 /nfs/dbraw/zinc/72/54/33/598725433.db2.gz QKHRXPDAIORHRN-UHFFFAOYSA-N -1 3 392.463 3.144 20 0 GGADHM COc1ccc(C2(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC000737077508 598725434 /nfs/dbraw/zinc/72/54/34/598725434.db2.gz QKHRXPDAIORHRN-UHFFFAOYSA-N -1 3 392.463 3.144 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738112187 598726349 /nfs/dbraw/zinc/72/63/49/598726349.db2.gz MRMSMPZPDNHAJX-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738112187 598726350 /nfs/dbraw/zinc/72/63/50/598726350.db2.gz MRMSMPZPDNHAJX-UHFFFAOYSA-N -1 3 384.390 3.019 20 0 GGADHM Cc1noc(C)c1COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737538583 598726376 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3.481 20 0 GGADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CCC2 ZINC000737488624 598730071 /nfs/dbraw/zinc/73/00/71/598730071.db2.gz SVVGIXIYDUVPHA-HNNXBMFYSA-N -1 3 383.481 3.481 20 0 GGADHM Cc1cccc(NC(=S)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737398513 598733961 /nfs/dbraw/zinc/73/39/61/598733961.db2.gz BAAXWFFHIZVFDV-UHFFFAOYSA-N -1 3 394.504 3.415 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736252670 598734675 /nfs/dbraw/zinc/73/46/75/598734675.db2.gz QZIZAAJDYHLCLR-ZIAGYGMSSA-N -1 3 381.436 3.442 20 0 GGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736252670 598734677 /nfs/dbraw/zinc/73/46/77/598734677.db2.gz QZIZAAJDYHLCLR-ZIAGYGMSSA-N -1 3 381.436 3.442 20 0 GGADHM Cc1noc([C@H](C)OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000737536069 598740639 /nfs/dbraw/zinc/74/06/39/598740639.db2.gz DUOREQTWEYAMPL-NSHDSACASA-N -1 3 376.376 3.143 20 0 GGADHM Cc1noc([C@H](C)OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000737536069 598740640 /nfs/dbraw/zinc/74/06/40/598740640.db2.gz DUOREQTWEYAMPL-NSHDSACASA-N -1 3 376.376 3.143 20 0 GGADHM CC(C)(C)OC(=O)N(CCCNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000735623623 598744216 /nfs/dbraw/zinc/74/42/16/598744216.db2.gz JHWMXFKWLJSESH-UHFFFAOYSA-N -1 3 393.879 3.117 20 0 GGADHM CC(C)(C)OC(=O)N(CCCNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000735623623 598744218 /nfs/dbraw/zinc/74/42/18/598744218.db2.gz JHWMXFKWLJSESH-UHFFFAOYSA-N -1 3 393.879 3.117 20 0 GGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)ccc1C(N)=O ZINC000737275568 598747046 /nfs/dbraw/zinc/74/70/46/598747046.db2.gz YUTQFFRPLZFQHA-UHFFFAOYSA-N -1 3 398.426 3.193 20 0 GGADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)ccc1C(N)=O ZINC000737275568 598747047 /nfs/dbraw/zinc/74/70/47/598747047.db2.gz YUTQFFRPLZFQHA-UHFFFAOYSA-N -1 3 398.426 3.193 20 0 GGADHM Cc1cc(C)cc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737252543 598747049 /nfs/dbraw/zinc/74/70/49/598747049.db2.gz IUFKATKICAQEBP-UHFFFAOYSA-N -1 3 377.448 3.167 20 0 GGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)Nc1ccccc1 ZINC000736138813 598747141 /nfs/dbraw/zinc/74/71/41/598747141.db2.gz OJEYELJKRGVZQF-JTQLQIEISA-N -1 3 376.342 3.325 20 0 GGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)Nc1ccccc1 ZINC000736138813 598747143 /nfs/dbraw/zinc/74/71/43/598747143.db2.gz OJEYELJKRGVZQF-JTQLQIEISA-N -1 3 376.342 3.325 20 0 GGADHM Cc1ccc(C)c(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737318650 598747432 /nfs/dbraw/zinc/74/74/32/598747432.db2.gz DDAWIEKLKHLNAS-UHFFFAOYSA-N -1 3 377.448 3.167 20 0 GGADHM O=C(c1cc2ccccc2o1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738254850 598747614 /nfs/dbraw/zinc/74/76/14/598747614.db2.gz OAIZCWZBTYSLDM-UHFFFAOYSA-N -1 3 389.415 3.297 20 0 GGADHM O=C(c1ccc(Cl)s1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738265097 598747919 /nfs/dbraw/zinc/74/79/19/598747919.db2.gz ADNZVEGWPPCASP-UHFFFAOYSA-N -1 3 389.868 3.265 20 0 GGADHM CCCN(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736469727 598748256 /nfs/dbraw/zinc/74/82/56/598748256.db2.gz CGMOTSRCVIWJAZ-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CCCN(C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736469727 598748258 /nfs/dbraw/zinc/74/82/58/598748258.db2.gz CGMOTSRCVIWJAZ-UHFFFAOYSA-N -1 3 377.448 3.460 20 0 GGADHM CC(C)n1cc2cc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)ccc2n1 ZINC000820215045 607366033 /nfs/dbraw/zinc/36/60/33/607366033.db2.gz QNOCDXALWVMMAS-UHFFFAOYSA-N -1 3 382.815 3.098 20 0 GGADHM CC(C)n1cc2cc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)ccc2n1 ZINC000820215045 607366035 /nfs/dbraw/zinc/36/60/35/607366035.db2.gz QNOCDXALWVMMAS-UHFFFAOYSA-N -1 3 382.815 3.098 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H](SCC)C1 ZINC000736636562 598750259 /nfs/dbraw/zinc/75/02/59/598750259.db2.gz MFXUGOVJIGJOLV-CQSZACIVSA-N -1 3 390.513 3.405 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H](SCC)C1 ZINC000736636562 598750261 /nfs/dbraw/zinc/75/02/61/598750261.db2.gz MFXUGOVJIGJOLV-CQSZACIVSA-N -1 3 390.513 3.405 20 0 GGADHM O=C(c1ccnc(C2CC2)n1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000738290864 598754216 /nfs/dbraw/zinc/75/42/16/598754216.db2.gz VMQDWYTYWFKCJD-UHFFFAOYSA-N -1 3 397.442 3.381 20 0 GGADHM O=C(c1ccnc(C2CC2)n1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000738290864 598754217 /nfs/dbraw/zinc/75/42/17/598754217.db2.gz VMQDWYTYWFKCJD-UHFFFAOYSA-N -1 3 397.442 3.381 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC000737918395 598754507 /nfs/dbraw/zinc/75/45/07/598754507.db2.gz CUSYONAPWPEGIO-UHFFFAOYSA-N -1 3 388.387 3.072 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000737025672 598754836 /nfs/dbraw/zinc/75/48/36/598754836.db2.gz YXVCZWHEOVEMEL-HXUWFJFHSA-N -1 3 395.463 3.076 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000737025672 598754837 /nfs/dbraw/zinc/75/48/37/598754837.db2.gz YXVCZWHEOVEMEL-HXUWFJFHSA-N -1 3 395.463 3.076 20 0 GGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)s1 ZINC000737489861 598763831 /nfs/dbraw/zinc/76/38/31/598763831.db2.gz NGLXNOMPJCHDIY-DNQSNQRASA-N -1 3 386.506 3.470 20 0 GGADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)s1 ZINC000737489861 598763833 /nfs/dbraw/zinc/76/38/33/598763833.db2.gz NGLXNOMPJCHDIY-DNQSNQRASA-N -1 3 386.506 3.470 20 0 GGADHM CC(C)Sc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824338263 607366482 /nfs/dbraw/zinc/36/64/82/607366482.db2.gz VULAUFTURBBHBL-UHFFFAOYSA-N -1 3 382.445 3.407 20 0 GGADHM CC(C)Sc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824338263 607366484 /nfs/dbraw/zinc/36/64/84/607366484.db2.gz VULAUFTURBBHBL-UHFFFAOYSA-N -1 3 382.445 3.407 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000736636520 598766021 /nfs/dbraw/zinc/76/60/21/598766021.db2.gz LMBQOAFIVYSSCJ-CYBMUJFWSA-N -1 3 379.420 3.113 20 0 GGADHM CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735619862 598767904 /nfs/dbraw/zinc/76/79/04/598767904.db2.gz YLZFAOYRBGHCAX-UHFFFAOYSA-N -1 3 385.493 3.104 20 0 GGADHM CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735619862 598767905 /nfs/dbraw/zinc/76/79/05/598767905.db2.gz YLZFAOYRBGHCAX-UHFFFAOYSA-N -1 3 385.493 3.104 20 0 GGADHM CCSc1ccc([C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736664772 598768099 /nfs/dbraw/zinc/76/80/99/598768099.db2.gz DQTLAEISNJLOMH-LBPRGKRZSA-N -1 3 389.506 3.018 20 0 GGADHM CCSc1ccc([C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736664772 598768102 /nfs/dbraw/zinc/76/81/02/598768102.db2.gz DQTLAEISNJLOMH-LBPRGKRZSA-N -1 3 389.506 3.018 20 0 GGADHM COCCSc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737013472 598769301 /nfs/dbraw/zinc/76/93/01/598769301.db2.gz IQVFRBSGPKOMFS-CYBMUJFWSA-N -1 3 398.492 3.488 20 0 GGADHM COCCSc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737013472 598769303 /nfs/dbraw/zinc/76/93/03/598769303.db2.gz IQVFRBSGPKOMFS-CYBMUJFWSA-N -1 3 398.492 3.488 20 0 GGADHM Cc1nc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)sc1C ZINC000737483378 598769383 /nfs/dbraw/zinc/76/93/83/598769383.db2.gz VNXJOUFJOUDTGH-UHFFFAOYSA-N -1 3 399.480 3.015 20 0 GGADHM CCCNC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000736480775 598772836 /nfs/dbraw/zinc/77/28/36/598772836.db2.gz LZOMOVQLOISELR-NSHDSACASA-N -1 3 398.492 3.017 20 0 GGADHM CC[C@H](C)[C@](C)(O)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000736328727 598774263 /nfs/dbraw/zinc/77/42/63/598774263.db2.gz HZCKBJYXZLPMPU-RNODOKPDSA-N -1 3 379.468 3.185 20 0 GGADHM CC[C@H](C)[C@](C)(O)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736328727 598774264 /nfs/dbraw/zinc/77/42/64/598774264.db2.gz HZCKBJYXZLPMPU-RNODOKPDSA-N -1 3 379.468 3.185 20 0 GGADHM COc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000737104880 598778929 /nfs/dbraw/zinc/77/89/29/598778929.db2.gz UQNFLTHHZTVOLQ-UHFFFAOYSA-N -1 3 389.213 3.282 20 0 GGADHM COc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000737104880 598778930 /nfs/dbraw/zinc/77/89/30/598778930.db2.gz UQNFLTHHZTVOLQ-UHFFFAOYSA-N -1 3 389.213 3.282 20 0 GGADHM CCC(=CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736303508 598780213 /nfs/dbraw/zinc/78/02/13/598780213.db2.gz IGNNROAMTWCMAA-JNINTMOKSA-N -1 3 391.431 3.231 20 0 GGADHM CCC(=CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736303508 598780214 /nfs/dbraw/zinc/78/02/14/598780214.db2.gz IGNNROAMTWCMAA-JNINTMOKSA-N -1 3 391.431 3.231 20 0 GGADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736210729 598780975 /nfs/dbraw/zinc/78/09/75/598780975.db2.gz HHCSWQHQGFBVBX-CYBMUJFWSA-N -1 3 379.424 3.222 20 0 GGADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736211547 598781271 /nfs/dbraw/zinc/78/12/71/598781271.db2.gz OKSAQAFSANMCDW-ZDUSSCGKSA-N -1 3 379.424 3.222 20 0 GGADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736211547 598781273 /nfs/dbraw/zinc/78/12/73/598781273.db2.gz OKSAQAFSANMCDW-ZDUSSCGKSA-N -1 3 379.424 3.222 20 0 GGADHM CC(C)[C@@](C)(O)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735690647 598781998 /nfs/dbraw/zinc/78/19/98/598781998.db2.gz BAWXIKUNXKBAEH-FQEVSTJZSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)[C@@](C)(O)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735690647 598782000 /nfs/dbraw/zinc/78/20/00/598782000.db2.gz BAWXIKUNXKBAEH-FQEVSTJZSA-N -1 3 396.451 3.188 20 0 GGADHM CC(C)n1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cn1 ZINC000736110306 598783594 /nfs/dbraw/zinc/78/35/94/598783594.db2.gz ICHJMZTUFAJWAR-CQSZACIVSA-N -1 3 394.483 3.079 20 0 GGADHM CC(C)n1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cn1 ZINC000736110306 598783596 /nfs/dbraw/zinc/78/35/96/598783596.db2.gz ICHJMZTUFAJWAR-CQSZACIVSA-N -1 3 394.483 3.079 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736471396 598787425 /nfs/dbraw/zinc/78/74/25/598787425.db2.gz QAECKQFCTADVMA-UHFFFAOYSA-N -1 3 393.447 3.096 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736471396 598787427 /nfs/dbraw/zinc/78/74/27/598787427.db2.gz QAECKQFCTADVMA-UHFFFAOYSA-N -1 3 393.447 3.096 20 0 GGADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-n2cccc2)c(F)c1 ZINC000738236542 598788415 /nfs/dbraw/zinc/78/84/15/598788415.db2.gz NHZQACZDPGSFBT-UHFFFAOYSA-N -1 3 381.342 3.293 20 0 GGADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-n2cccc2)c(F)c1 ZINC000738236542 598788417 /nfs/dbraw/zinc/78/84/17/598788417.db2.gz NHZQACZDPGSFBT-UHFFFAOYSA-N -1 3 381.342 3.293 20 0 GGADHM S=C(NC[C@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738401346 598789431 /nfs/dbraw/zinc/78/94/31/598789431.db2.gz OWMWFHPROPFBAJ-QGZVFWFLSA-N -1 3 396.476 3.124 20 0 GGADHM S=C(NC[C@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738401346 598789432 /nfs/dbraw/zinc/78/94/32/598789432.db2.gz OWMWFHPROPFBAJ-QGZVFWFLSA-N -1 3 396.476 3.124 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736469982 598789983 /nfs/dbraw/zinc/78/99/83/598789983.db2.gz HSDCEBMCQVRVDH-UHFFFAOYSA-N -1 3 392.463 3.300 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736469982 598789984 /nfs/dbraw/zinc/78/99/84/598789984.db2.gz HSDCEBMCQVRVDH-UHFFFAOYSA-N -1 3 392.463 3.300 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736471335 598790004 /nfs/dbraw/zinc/79/00/04/598790004.db2.gz NYHXGYJOZLHQFI-UHFFFAOYSA-N -1 3 384.465 3.053 20 0 GGADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736471335 598790005 /nfs/dbraw/zinc/79/00/05/598790005.db2.gz NYHXGYJOZLHQFI-UHFFFAOYSA-N -1 3 384.465 3.053 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)s1 ZINC000736679199 598790022 /nfs/dbraw/zinc/79/00/22/598790022.db2.gz NWWSEEFPILNSMH-UHFFFAOYSA-N -1 3 398.492 3.225 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)s1 ZINC000736679199 598790023 /nfs/dbraw/zinc/79/00/23/598790023.db2.gz NWWSEEFPILNSMH-UHFFFAOYSA-N -1 3 398.492 3.225 20 0 GGADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)cc2n1 ZINC000737373324 598790541 /nfs/dbraw/zinc/79/05/41/598790541.db2.gz DTTVLSURRRGOBW-UHFFFAOYSA-N -1 3 378.392 3.356 20 0 GGADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)cc2n1 ZINC000737373324 598790542 /nfs/dbraw/zinc/79/05/42/598790542.db2.gz DTTVLSURRRGOBW-UHFFFAOYSA-N -1 3 378.392 3.356 20 0 GGADHM Cc1nc(SCC(=O)NC/C=C/c2ccccc2)c(-c2nnn[n-]2)c(C)c1C ZINC000737481897 598792026 /nfs/dbraw/zinc/79/20/26/598792026.db2.gz CJAHUFHIDXYWNP-JXMROGBWSA-N -1 3 394.504 3.109 20 0 GGADHM Cc1nc(SCC(=O)NC/C=C/c2ccccc2)c(-c2nn[n-]n2)c(C)c1C ZINC000737481897 598792027 /nfs/dbraw/zinc/79/20/27/598792027.db2.gz CJAHUFHIDXYWNP-JXMROGBWSA-N -1 3 394.504 3.109 20 0 GGADHM Cc1cccc(C(=O)N2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)c1 ZINC000737381597 598793804 /nfs/dbraw/zinc/79/38/04/598793804.db2.gz LKZDJUKMZZAUMD-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM Cc1cccc(C(=O)N2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)c1 ZINC000737381597 598793806 /nfs/dbraw/zinc/79/38/06/598793806.db2.gz LKZDJUKMZZAUMD-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM Fc1ccc(C2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1F ZINC000737647065 598798137 /nfs/dbraw/zinc/79/81/37/598798137.db2.gz AWPXLZMOECNCCC-UHFFFAOYSA-N -1 3 382.418 3.413 20 0 GGADHM Fc1ccc(C2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1F ZINC000737647065 598798138 /nfs/dbraw/zinc/79/81/38/598798138.db2.gz AWPXLZMOECNCCC-UHFFFAOYSA-N -1 3 382.418 3.413 20 0 GGADHM CCCNC(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000736487882 598798691 /nfs/dbraw/zinc/79/86/91/598798691.db2.gz MTKIZKUBSSEAIA-KHPPLWFESA-N -1 3 392.419 3.017 20 0 GGADHM CCCNC(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000736487882 598798692 /nfs/dbraw/zinc/79/86/92/598798692.db2.gz MTKIZKUBSSEAIA-KHPPLWFESA-N -1 3 392.419 3.017 20 0 GGADHM O=C(NC/C=C/c1ccccc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000738052172 598798992 /nfs/dbraw/zinc/79/89/92/598798992.db2.gz RWLOOBBOWJKTMU-RMKNXTFCSA-N -1 3 394.504 3.113 20 0 GGADHM O=C(NC/C=C/c1ccccc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000738052172 598798993 /nfs/dbraw/zinc/79/89/93/598798993.db2.gz RWLOOBBOWJKTMU-RMKNXTFCSA-N -1 3 394.504 3.113 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000737026535 598799143 /nfs/dbraw/zinc/79/91/43/598799143.db2.gz YEJFSPJOBKMLLX-UHFFFAOYSA-N -1 3 379.351 3.024 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000737026535 598799144 /nfs/dbraw/zinc/79/91/44/598799144.db2.gz YEJFSPJOBKMLLX-UHFFFAOYSA-N -1 3 379.351 3.024 20 0 GGADHM CCCCC[C@@H](C)NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736441705 598800428 /nfs/dbraw/zinc/80/04/28/598800428.db2.gz SVYFBLSUJRCVDF-OAHLLOKOSA-N -1 3 386.500 3.388 20 0 GGADHM CCCCC[C@@H](C)NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736441705 598800429 /nfs/dbraw/zinc/80/04/29/598800429.db2.gz SVYFBLSUJRCVDF-OAHLLOKOSA-N -1 3 386.500 3.388 20 0 GGADHM O=C(NC/C=C\c1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738051143 598800895 /nfs/dbraw/zinc/80/08/95/598800895.db2.gz JKBVQQJPMMNJCB-DAXSKMNVSA-N -1 3 386.362 3.303 20 0 GGADHM O=C(NC/C=C\c1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738051143 598800897 /nfs/dbraw/zinc/80/08/97/598800897.db2.gz JKBVQQJPMMNJCB-DAXSKMNVSA-N -1 3 386.362 3.303 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000737321354 598800917 /nfs/dbraw/zinc/80/09/17/598800917.db2.gz UNVTWODGLYPCME-CQSZACIVSA-N -1 3 396.451 3.082 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000737321354 598800918 /nfs/dbraw/zinc/80/09/18/598800918.db2.gz UNVTWODGLYPCME-CQSZACIVSA-N -1 3 396.451 3.082 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737215462 598802243 /nfs/dbraw/zinc/80/22/43/598802243.db2.gz IGZSMFAMUXHPLZ-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737215462 598802245 /nfs/dbraw/zinc/80/22/45/598802245.db2.gz IGZSMFAMUXHPLZ-LLVKDONJSA-N -1 3 385.811 3.013 20 0 GGADHM Fc1cccc(-n2ccc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)n2)c1 ZINC000737667953 598802784 /nfs/dbraw/zinc/80/27/84/598802784.db2.gz SSUVLZQUPKJHGZ-UHFFFAOYSA-N -1 3 386.394 3.103 20 0 GGADHM Fc1cccc(-n2ccc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)n2)c1 ZINC000737667953 598802785 /nfs/dbraw/zinc/80/27/85/598802785.db2.gz SSUVLZQUPKJHGZ-UHFFFAOYSA-N -1 3 386.394 3.103 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000737023804 598803092 /nfs/dbraw/zinc/80/30/92/598803092.db2.gz DUBONCMUVGYCIH-GWCFXTLKSA-N -1 3 380.832 3.029 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000737023804 598803093 /nfs/dbraw/zinc/80/30/93/598803093.db2.gz DUBONCMUVGYCIH-GWCFXTLKSA-N -1 3 380.832 3.029 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737860137 598804004 /nfs/dbraw/zinc/80/40/04/598804004.db2.gz NFPYDKASMZGBDN-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737860137 598804005 /nfs/dbraw/zinc/80/40/05/598804005.db2.gz NFPYDKASMZGBDN-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM CCO[C@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736613927 598805551 /nfs/dbraw/zinc/80/55/51/598805551.db2.gz GRSONBIWFBRSRJ-CYBMUJFWSA-N -1 3 385.855 3.478 20 0 GGADHM CCO[C@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736613927 598805553 /nfs/dbraw/zinc/80/55/53/598805553.db2.gz GRSONBIWFBRSRJ-CYBMUJFWSA-N -1 3 385.855 3.478 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736187886 598805890 /nfs/dbraw/zinc/80/58/90/598805890.db2.gz KCSGPASIDVLTAM-CYBMUJFWSA-N -1 3 379.420 3.062 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000736187886 598805891 /nfs/dbraw/zinc/80/58/91/598805891.db2.gz KCSGPASIDVLTAM-CYBMUJFWSA-N -1 3 379.420 3.062 20 0 GGADHM O=C(CCc1cccc(Cl)c1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737857877 598807642 /nfs/dbraw/zinc/80/76/42/598807642.db2.gz WAACCVZMODOTNC-UHFFFAOYSA-N -1 3 393.838 3.277 20 0 GGADHM CC(C)C(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735693263 598812881 /nfs/dbraw/zinc/81/28/81/598812881.db2.gz YJEBMWLXKYWDLM-ZHACJKMWSA-N -1 3 377.404 3.080 20 0 GGADHM CC(C)C(=O)Nc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735693263 598812882 /nfs/dbraw/zinc/81/28/82/598812882.db2.gz YJEBMWLXKYWDLM-ZHACJKMWSA-N -1 3 377.404 3.080 20 0 GGADHM Cc1nnc(NCC(C)(C)c2ccc(F)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000737522443 598817716 /nfs/dbraw/zinc/81/77/16/598817716.db2.gz SSTLWZVOCRTAIO-UHFFFAOYSA-N -1 3 375.839 3.456 20 0 GGADHM Cc1nnc(NCC(C)(C)c2ccc(F)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000737522443 598817717 /nfs/dbraw/zinc/81/77/17/598817717.db2.gz SSTLWZVOCRTAIO-UHFFFAOYSA-N -1 3 375.839 3.456 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1N1CCCCC1 ZINC000736821922 598822227 /nfs/dbraw/zinc/82/22/27/598822227.db2.gz IDIXHOJHWBMULW-UHFFFAOYSA-N -1 3 376.464 3.129 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1N1CCCCC1 ZINC000736821922 598822228 /nfs/dbraw/zinc/82/22/28/598822228.db2.gz IDIXHOJHWBMULW-UHFFFAOYSA-N -1 3 376.464 3.129 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1COc2ccccc21 ZINC000738206017 598822536 /nfs/dbraw/zinc/82/25/36/598822536.db2.gz AIEKKHSGVGYYRM-ZDUSSCGKSA-N -1 3 381.461 3.312 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1COc2ccccc21 ZINC000738206017 598822537 /nfs/dbraw/zinc/82/25/37/598822537.db2.gz AIEKKHSGVGYYRM-ZDUSSCGKSA-N -1 3 381.461 3.312 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737975345 599293048 /nfs/dbraw/zinc/29/30/48/599293048.db2.gz YSKXXLHVUCALSV-UHFFFAOYSA-N -1 3 399.401 3.202 20 0 GGADHM O=C(Cc1ccccc1OC(F)F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737975345 599293049 /nfs/dbraw/zinc/29/30/49/599293049.db2.gz YSKXXLHVUCALSV-UHFFFAOYSA-N -1 3 399.401 3.202 20 0 GGADHM CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000821634044 599294506 /nfs/dbraw/zinc/29/45/06/599294506.db2.gz POOOOXYRQGAORH-UHFFFAOYSA-N -1 3 378.314 3.429 20 0 GGADHM CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000821634044 599294508 /nfs/dbraw/zinc/29/45/08/599294508.db2.gz POOOOXYRQGAORH-UHFFFAOYSA-N -1 3 378.314 3.429 20 0 GGADHM O=C(NCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823242010 599295622 /nfs/dbraw/zinc/29/56/22/599295622.db2.gz NQXOTKKBLOVCRQ-UHFFFAOYSA-N -1 3 398.295 3.485 20 0 GGADHM O=C(NCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823242010 599295623 /nfs/dbraw/zinc/29/56/23/599295623.db2.gz NQXOTKKBLOVCRQ-UHFFFAOYSA-N -1 3 398.295 3.485 20 0 GGADHM C[C@H]1SCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736304404 599301016 /nfs/dbraw/zinc/30/10/16/599301016.db2.gz VRPCEGFAOXXDTI-QWHCGFSZSA-N -1 3 399.476 3.005 20 0 GGADHM C[C@H]1SCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736304404 599301019 /nfs/dbraw/zinc/30/10/19/599301019.db2.gz VRPCEGFAOXXDTI-QWHCGFSZSA-N -1 3 399.476 3.005 20 0 GGADHM C[C@H]1SCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)[C@H]1C ZINC000736300671 599301307 /nfs/dbraw/zinc/30/13/07/599301307.db2.gz CVYUAKCVJFPQDO-QWHCGFSZSA-N -1 3 399.476 3.005 20 0 GGADHM C[C@H]1SCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)[C@H]1C ZINC000736300671 599301309 /nfs/dbraw/zinc/30/13/09/599301309.db2.gz CVYUAKCVJFPQDO-QWHCGFSZSA-N -1 3 399.476 3.005 20 0 GGADHM C[C@@H]1SCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)[C@H]1C ZINC000736300672 599301572 /nfs/dbraw/zinc/30/15/72/599301572.db2.gz CVYUAKCVJFPQDO-STQMWFEESA-N -1 3 399.476 3.005 20 0 GGADHM C[C@@H]1SCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)[C@H]1C ZINC000736300672 599301575 /nfs/dbraw/zinc/30/15/75/599301575.db2.gz CVYUAKCVJFPQDO-STQMWFEESA-N -1 3 399.476 3.005 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1cc(Cl)cc(Cl)c1 ZINC000738384579 599306756 /nfs/dbraw/zinc/30/67/56/599306756.db2.gz TZFPRHXRNBHMPC-OAHLLOKOSA-N -1 3 391.262 3.203 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1cc(Cl)cc(Cl)c1 ZINC000738384579 599306758 /nfs/dbraw/zinc/30/67/58/599306758.db2.gz TZFPRHXRNBHMPC-OAHLLOKOSA-N -1 3 391.262 3.203 20 0 GGADHM O=S(=O)(C=Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823557987 599308071 /nfs/dbraw/zinc/30/80/71/599308071.db2.gz YAYXWMOOBOUYDW-HJWRWDBZSA-N -1 3 395.366 3.298 20 0 GGADHM O=S(=O)(C=Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823557987 599308074 /nfs/dbraw/zinc/30/80/74/599308074.db2.gz YAYXWMOOBOUYDW-HJWRWDBZSA-N -1 3 395.366 3.298 20 0 GGADHM CCN(C(=O)c1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504468 599309485 /nfs/dbraw/zinc/30/94/85/599309485.db2.gz ACMFLLNLNLPNQH-UHFFFAOYSA-N -1 3 390.216 3.435 20 0 GGADHM CCN(C(=O)c1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504468 599309488 /nfs/dbraw/zinc/30/94/88/599309488.db2.gz ACMFLLNLNLPNQH-UHFFFAOYSA-N -1 3 390.216 3.435 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NS(=O)(=O)C=Cc1ccccc1 ZINC000736489370 599313285 /nfs/dbraw/zinc/31/32/85/599313285.db2.gz YTLLJFGGGJCEMH-BENRWUELSA-N -1 3 384.465 3.101 20 0 GGADHM COc1ccc([C@@H](C)Nc2ncccc2-c2nnn[n-]2)cc1Br ZINC000821777271 599320007 /nfs/dbraw/zinc/32/00/07/599320007.db2.gz CRVVQXFHMXRVAQ-SECBINFHSA-N -1 3 375.230 3.206 20 0 GGADHM COc1ccc([C@@H](C)Nc2ncccc2-c2nn[n-]n2)cc1Br ZINC000821777271 599320009 /nfs/dbraw/zinc/32/00/09/599320009.db2.gz CRVVQXFHMXRVAQ-SECBINFHSA-N -1 3 375.230 3.206 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C[S@@](=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819947014 607368608 /nfs/dbraw/zinc/36/86/08/607368608.db2.gz ZKXFRWDEKMQBIS-NDEPHWFRSA-N -1 3 398.488 3.271 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C[S@@](=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819947014 607368610 /nfs/dbraw/zinc/36/86/10/607368610.db2.gz ZKXFRWDEKMQBIS-NDEPHWFRSA-N -1 3 398.488 3.271 20 0 GGADHM Cc1cccc(OCCCCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826300261 607368778 /nfs/dbraw/zinc/36/87/78/607368778.db2.gz NTBIQUHSOIZMQM-UHFFFAOYSA-N -1 3 394.431 3.150 20 0 GGADHM Cc1cccc(OCCCCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826300261 607368780 /nfs/dbraw/zinc/36/87/80/607368780.db2.gz NTBIQUHSOIZMQM-UHFFFAOYSA-N -1 3 394.431 3.150 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820446742 599325560 /nfs/dbraw/zinc/32/55/60/599325560.db2.gz WWIAKGQMOFARCV-ZDUSSCGKSA-N -1 3 385.493 3.204 20 0 GGADHM C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820446742 599325563 /nfs/dbraw/zinc/32/55/63/599325563.db2.gz WWIAKGQMOFARCV-ZDUSSCGKSA-N -1 3 385.493 3.204 20 0 GGADHM C[C@H](SCC(=O)N(C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188993 599328050 /nfs/dbraw/zinc/32/80/50/599328050.db2.gz NNWDXYFKACRPCW-ZDUSSCGKSA-N -1 3 385.468 3.459 20 0 GGADHM C[C@H](SCC(=O)N(C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188993 599328052 /nfs/dbraw/zinc/32/80/52/599328052.db2.gz NNWDXYFKACRPCW-ZDUSSCGKSA-N -1 3 385.468 3.459 20 0 GGADHM COc1ccc(Br)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737066873 599328802 /nfs/dbraw/zinc/32/88/02/599328802.db2.gz XDHMYFLZMKVZMX-UHFFFAOYSA-N -1 3 390.241 3.129 20 0 GGADHM COc1ccc(Br)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737066873 599328805 /nfs/dbraw/zinc/32/88/05/599328805.db2.gz XDHMYFLZMKVZMX-UHFFFAOYSA-N -1 3 390.241 3.129 20 0 GGADHM C[C@@H](SCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190413 599328795 /nfs/dbraw/zinc/32/87/95/599328795.db2.gz RXBBSCPZXVMUHP-GFCCVEGCSA-N -1 3 397.460 3.418 20 0 GGADHM C[C@@H](SCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190413 599328797 /nfs/dbraw/zinc/32/87/97/599328797.db2.gz RXBBSCPZXVMUHP-GFCCVEGCSA-N -1 3 397.460 3.418 20 0 GGADHM COCCOc1c(Cl)cccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737011595 599328810 /nfs/dbraw/zinc/32/88/10/599328810.db2.gz WVIUKOMZPIYSKI-UHFFFAOYSA-N -1 3 389.843 3.036 20 0 GGADHM COCCOc1c(Cl)cccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737011595 599328813 /nfs/dbraw/zinc/32/88/13/599328813.db2.gz WVIUKOMZPIYSKI-UHFFFAOYSA-N -1 3 389.843 3.036 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000820641875 599329016 /nfs/dbraw/zinc/32/90/16/599329016.db2.gz DWMWRSOHKJFLPZ-UZLBHIALSA-N -1 3 390.491 3.254 20 0 GGADHM COc1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737101396 599329696 /nfs/dbraw/zinc/32/96/96/599329696.db2.gz FVIHMEQPFVEHSU-LBPRGKRZSA-N -1 3 399.476 3.317 20 0 GGADHM COc1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000737101396 599329698 /nfs/dbraw/zinc/32/96/98/599329698.db2.gz FVIHMEQPFVEHSU-LBPRGKRZSA-N -1 3 399.476 3.317 20 0 GGADHM COc1cccc(CNC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737130594 599329742 /nfs/dbraw/zinc/32/97/42/599329742.db2.gz HTUUIJRLCJRWLZ-KGLIPLIRSA-N -1 3 397.504 3.374 20 0 GGADHM COc1cccc(CNC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737130594 599329745 /nfs/dbraw/zinc/32/97/45/599329745.db2.gz HTUUIJRLCJRWLZ-KGLIPLIRSA-N -1 3 397.504 3.374 20 0 GGADHM COc1cccc(CNC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737130596 599329912 /nfs/dbraw/zinc/32/99/12/599329912.db2.gz HTUUIJRLCJRWLZ-ZIAGYGMSSA-N -1 3 397.504 3.374 20 0 GGADHM COc1cccc(CNC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737130596 599329914 /nfs/dbraw/zinc/32/99/14/599329914.db2.gz HTUUIJRLCJRWLZ-ZIAGYGMSSA-N -1 3 397.504 3.374 20 0 GGADHM CCOC(=O)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736599531 599330041 /nfs/dbraw/zinc/33/00/41/599330041.db2.gz OBYHDYVWUXPTPK-UHFFFAOYSA-N -1 3 387.827 3.074 20 0 GGADHM CCOC(=O)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736599531 599330045 /nfs/dbraw/zinc/33/00/45/599330045.db2.gz OBYHDYVWUXPTPK-UHFFFAOYSA-N -1 3 387.827 3.074 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000821105043 599330050 /nfs/dbraw/zinc/33/00/50/599330050.db2.gz WHQHPOXNAQAPTG-OXQOHEQNSA-N -1 3 390.491 3.256 20 0 GGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737357324 599330286 /nfs/dbraw/zinc/33/02/86/599330286.db2.gz OUJWBODBAGODGP-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737357324 599330288 /nfs/dbraw/zinc/33/02/88/599330288.db2.gz OUJWBODBAGODGP-UHFFFAOYSA-N -1 3 376.342 3.245 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000736105093 599331913 /nfs/dbraw/zinc/33/19/13/599331913.db2.gz LYCOQFONMARSJB-VIFPVBQESA-N -1 3 396.398 3.236 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000736105093 599331916 /nfs/dbraw/zinc/33/19/16/599331916.db2.gz LYCOQFONMARSJB-VIFPVBQESA-N -1 3 396.398 3.236 20 0 GGADHM O=C(CNc1cccc(CC(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737897619 599333695 /nfs/dbraw/zinc/33/36/95/599333695.db2.gz BTRCZOVHWBFJFH-UHFFFAOYSA-N -1 3 376.342 3.022 20 0 GGADHM O=C(CNc1cccc(CC(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737897619 599333700 /nfs/dbraw/zinc/33/37/00/599333700.db2.gz BTRCZOVHWBFJFH-UHFFFAOYSA-N -1 3 376.342 3.022 20 0 GGADHM O=C(NCCOC1CCCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738084155 599338626 /nfs/dbraw/zinc/33/86/26/599338626.db2.gz ZXLOLQJIXFGQOX-UHFFFAOYSA-N -1 3 398.511 3.280 20 0 GGADHM O=C(NCCOC1CCCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738084155 599338629 /nfs/dbraw/zinc/33/86/29/599338629.db2.gz ZXLOLQJIXFGQOX-UHFFFAOYSA-N -1 3 398.511 3.280 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H]1CSc2ccccc21 ZINC000736038086 599339551 /nfs/dbraw/zinc/33/95/51/599339551.db2.gz RWTCTKGZMHIQFV-WBMJQRKESA-N -1 3 382.445 3.067 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H]1CSc2ccccc21 ZINC000736038086 599339553 /nfs/dbraw/zinc/33/95/53/599339553.db2.gz RWTCTKGZMHIQFV-WBMJQRKESA-N -1 3 382.445 3.067 20 0 GGADHM CCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821222435 599340503 /nfs/dbraw/zinc/34/05/03/599340503.db2.gz RUIRCOURBKPSGB-UHFFFAOYSA-N -1 3 391.884 3.039 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822232883 599349832 /nfs/dbraw/zinc/34/98/32/599349832.db2.gz CWKDIGSHOAZYHZ-SFHVURJKSA-N -1 3 397.504 3.399 20 0 GGADHM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822232883 599349834 /nfs/dbraw/zinc/34/98/34/599349834.db2.gz CWKDIGSHOAZYHZ-SFHVURJKSA-N -1 3 397.504 3.399 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(Br)c(OC)c1 ZINC000821720793 607370739 /nfs/dbraw/zinc/37/07/39/607370739.db2.gz XMTXEPGWCMLYIP-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(Br)c(OC)c1 ZINC000821720793 607370740 /nfs/dbraw/zinc/37/07/40/607370740.db2.gz XMTXEPGWCMLYIP-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](c2ncccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000737434440 599355506 /nfs/dbraw/zinc/35/55/06/599355506.db2.gz JTJDLQAZRYJBEQ-BBRMVZONSA-N -1 3 397.483 3.094 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(C[S@@](C)=O)ccc1Cl ZINC000821732125 607371045 /nfs/dbraw/zinc/37/10/45/607371045.db2.gz KGIWYZOVPZYFEN-AREMUKBSSA-N -1 3 391.884 3.019 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(C[S@@](C)=O)ccc1Cl ZINC000821732125 607371047 /nfs/dbraw/zinc/37/10/47/607371047.db2.gz KGIWYZOVPZYFEN-AREMUKBSSA-N -1 3 391.884 3.019 20 0 GGADHM CC(C)[C@@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824190891 607371148 /nfs/dbraw/zinc/37/11/48/607371148.db2.gz BFNMACCQXAUJDT-GOSISDBHSA-N -1 3 378.432 3.423 20 0 GGADHM CC(C)[C@@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824190891 607371150 /nfs/dbraw/zinc/37/11/50/607371150.db2.gz BFNMACCQXAUJDT-GOSISDBHSA-N -1 3 378.432 3.423 20 0 GGADHM Brc1ccc(N2CCO[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000735368936 599360925 /nfs/dbraw/zinc/36/09/25/599360925.db2.gz PWFLZBUGGYIMJX-MRXNPFEDSA-N -1 3 386.253 3.207 20 0 GGADHM Brc1ccc(N2CCO[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735368936 599360927 /nfs/dbraw/zinc/36/09/27/599360927.db2.gz PWFLZBUGGYIMJX-MRXNPFEDSA-N -1 3 386.253 3.207 20 0 GGADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820777590 599369538 /nfs/dbraw/zinc/36/95/38/599369538.db2.gz TVBATICOLCOCLF-QLFBSQMISA-N -1 3 379.468 3.048 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cc2occc2s1 ZINC000738194216 599374842 /nfs/dbraw/zinc/37/48/42/599374842.db2.gz AABJQTJWBUSGCX-UHFFFAOYSA-N -1 3 377.389 3.112 20 0 GGADHM CCC[C@@H](NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(=O)OCC ZINC000821023023 599378089 /nfs/dbraw/zinc/37/80/89/599378089.db2.gz VMDSJLAOKLLPRW-OAHLLOKOSA-N -1 3 385.493 3.417 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(OC(C)C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821645319 599380270 /nfs/dbraw/zinc/38/02/70/599380270.db2.gz WKNXXXKBDOPDES-SFHVURJKSA-N -1 3 381.436 3.289 20 0 GGADHM COC(=O)[C@@H](Nc1ccc(OC(C)C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821645319 599380273 /nfs/dbraw/zinc/38/02/73/599380273.db2.gz WKNXXXKBDOPDES-SFHVURJKSA-N -1 3 381.436 3.289 20 0 GGADHM CSCC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737181860 599382800 /nfs/dbraw/zinc/38/28/00/599382800.db2.gz NZBWMGMMLBHQCZ-CQSZACIVSA-N -1 3 397.504 3.317 20 0 GGADHM CSCC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737181860 599382802 /nfs/dbraw/zinc/38/28/02/599382802.db2.gz NZBWMGMMLBHQCZ-CQSZACIVSA-N -1 3 397.504 3.317 20 0 GGADHM CSCC[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737184262 599383413 /nfs/dbraw/zinc/38/34/13/599383413.db2.gz WMLSRBCUAOGQLQ-CQSZACIVSA-N -1 3 397.504 3.317 20 0 GGADHM CSCC[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737184262 599383416 /nfs/dbraw/zinc/38/34/16/599383416.db2.gz WMLSRBCUAOGQLQ-CQSZACIVSA-N -1 3 397.504 3.317 20 0 GGADHM CCC[C@H]1SCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736433810 599383656 /nfs/dbraw/zinc/38/36/56/599383656.db2.gz BEFARGVTJBLMOI-QGZVFWFLSA-N -1 3 375.498 3.117 20 0 GGADHM CCC[C@H]1SCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736433810 599383659 /nfs/dbraw/zinc/38/36/59/599383659.db2.gz BEFARGVTJBLMOI-QGZVFWFLSA-N -1 3 375.498 3.117 20 0 GGADHM Cc1cc(-c2noc([C@@H](C)NCc3cc(-c4nnn[n-]4)ccc3F)n2)ccc1F ZINC000822152331 599385192 /nfs/dbraw/zinc/38/51/92/599385192.db2.gz HBCKQYWCLBWJIV-LLVKDONJSA-N -1 3 397.389 3.354 20 0 GGADHM Cc1cc(-c2noc([C@@H](C)NCc3cc(-c4nn[n-]n4)ccc3F)n2)ccc1F ZINC000822152331 599385194 /nfs/dbraw/zinc/38/51/94/599385194.db2.gz HBCKQYWCLBWJIV-LLVKDONJSA-N -1 3 397.389 3.354 20 0 GGADHM CC(C)Oc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000820178353 599385252 /nfs/dbraw/zinc/38/52/52/599385252.db2.gz NOKGXDJLZCLJIG-UHFFFAOYSA-N -1 3 378.392 3.283 20 0 GGADHM CC(C)Oc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000820178353 599385254 /nfs/dbraw/zinc/38/52/54/599385254.db2.gz NOKGXDJLZCLJIG-UHFFFAOYSA-N -1 3 378.392 3.283 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000822128564 599386449 /nfs/dbraw/zinc/38/64/49/599386449.db2.gz DILXMAZYKGLYEE-IBGZPJMESA-N -1 3 377.448 3.130 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820414377 599387079 /nfs/dbraw/zinc/38/70/79/599387079.db2.gz YFHVAFLXOYQAJR-NEPJUHHUSA-N -1 3 379.399 3.468 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820414377 599387082 /nfs/dbraw/zinc/38/70/82/599387082.db2.gz YFHVAFLXOYQAJR-NEPJUHHUSA-N -1 3 379.399 3.468 20 0 GGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000822129123 599389755 /nfs/dbraw/zinc/38/97/55/599389755.db2.gz HZABHDYRBWONFB-GOSISDBHSA-N -1 3 377.448 3.056 20 0 GGADHM O=C(COC(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415996 607372153 /nfs/dbraw/zinc/37/21/53/607372153.db2.gz CSMZRNANCTXVMA-UHFFFAOYSA-N -1 3 392.415 3.228 20 0 GGADHM O=C(COC(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415996 607372156 /nfs/dbraw/zinc/37/21/56/607372156.db2.gz CSMZRNANCTXVMA-UHFFFAOYSA-N -1 3 392.415 3.228 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N(C(C)C)C2CCCC2)cc1-c1nnn[n-]1 ZINC000820174281 607372188 /nfs/dbraw/zinc/37/21/88/607372188.db2.gz QJSVHYPRYDULRM-UHFFFAOYSA-N -1 3 386.500 3.245 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N(C(C)C)C2CCCC2)cc1-c1nn[n-]n1 ZINC000820174281 607372189 /nfs/dbraw/zinc/37/21/89/607372189.db2.gz QJSVHYPRYDULRM-UHFFFAOYSA-N -1 3 386.500 3.245 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820410348 599391424 /nfs/dbraw/zinc/39/14/24/599391424.db2.gz DSZBAQPILJRMOD-KGLIPLIRSA-N -1 3 375.436 3.252 20 0 GGADHM C[C@@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820410348 599391427 /nfs/dbraw/zinc/39/14/27/599391427.db2.gz DSZBAQPILJRMOD-KGLIPLIRSA-N -1 3 375.436 3.252 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N(C)[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820173898 607372556 /nfs/dbraw/zinc/37/25/56/607372556.db2.gz MYMYUSFSSUYYET-HNNXBMFYSA-N -1 3 394.479 3.285 20 0 GGADHM CC(C)Oc1ccc(NCC(=O)N(C)[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820173898 607372557 /nfs/dbraw/zinc/37/25/57/607372557.db2.gz MYMYUSFSSUYYET-HNNXBMFYSA-N -1 3 394.479 3.285 20 0 GGADHM O=C(COC(=O)c1sccc1SC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416805 607372628 /nfs/dbraw/zinc/37/26/28/607372628.db2.gz QSKFNUXJBMKSSR-UHFFFAOYSA-N -1 3 396.400 3.283 20 0 GGADHM O=C(COC(=O)c1sccc1SC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416805 607372630 /nfs/dbraw/zinc/37/26/30/607372630.db2.gz QSKFNUXJBMKSSR-UHFFFAOYSA-N -1 3 396.400 3.283 20 0 GGADHM C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375046 599400645 /nfs/dbraw/zinc/40/06/45/599400645.db2.gz WXTOYIJFZMWZIK-LLVKDONJSA-N -1 3 379.449 3.037 20 0 GGADHM C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375046 599400647 /nfs/dbraw/zinc/40/06/47/599400647.db2.gz WXTOYIJFZMWZIK-LLVKDONJSA-N -1 3 379.449 3.037 20 0 GGADHM Cc1cccc(C)c1NC(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822293829 607373493 /nfs/dbraw/zinc/37/34/93/607373493.db2.gz NFQYCNLHVOTYEV-UHFFFAOYSA-N -1 3 380.452 3.321 20 0 GGADHM Cc1cccc(C)c1NC(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822293829 607373495 /nfs/dbraw/zinc/37/34/95/607373495.db2.gz NFQYCNLHVOTYEV-UHFFFAOYSA-N -1 3 380.452 3.321 20 0 GGADHM CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821417324 599401757 /nfs/dbraw/zinc/40/17/57/599401757.db2.gz LFCOLFWQNPQJQU-KGLIPLIRSA-N -1 3 380.452 3.387 20 0 GGADHM CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821417324 599401759 /nfs/dbraw/zinc/40/17/59/599401759.db2.gz LFCOLFWQNPQJQU-KGLIPLIRSA-N -1 3 380.452 3.387 20 0 GGADHM O=C(c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1)N1CCCC1 ZINC000738258034 599402990 /nfs/dbraw/zinc/40/29/90/599402990.db2.gz KXXBWUHUPIYKHD-UHFFFAOYSA-N -1 3 382.855 3.368 20 0 GGADHM O=C(c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC000738258034 599402992 /nfs/dbraw/zinc/40/29/92/599402992.db2.gz KXXBWUHUPIYKHD-UHFFFAOYSA-N -1 3 382.855 3.368 20 0 GGADHM C[C@@H](OCCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820365928 599403704 /nfs/dbraw/zinc/40/37/04/599403704.db2.gz LRRLWBDJPMCUMT-JKSUJKDBSA-N -1 3 394.479 3.395 20 0 GGADHM C[C@@H](OCCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820365928 599403707 /nfs/dbraw/zinc/40/37/07/599403707.db2.gz LRRLWBDJPMCUMT-JKSUJKDBSA-N -1 3 394.479 3.395 20 0 GGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000820690545 599404711 /nfs/dbraw/zinc/40/47/11/599404711.db2.gz NRKBXWNPJORLDR-LSDHHAIUSA-N -1 3 388.541 3.320 20 0 GGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000820690545 599404715 /nfs/dbraw/zinc/40/47/15/599404715.db2.gz NRKBXWNPJORLDR-LSDHHAIUSA-N -1 3 388.541 3.320 20 0 GGADHM CCCOCc1ccccc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821127087 599411564 /nfs/dbraw/zinc/41/15/64/599411564.db2.gz AYKOXKAJOXLIIG-HNNXBMFYSA-N -1 3 394.479 3.354 20 0 GGADHM CCCOCc1ccccc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821127087 599411567 /nfs/dbraw/zinc/41/15/67/599411567.db2.gz AYKOXKAJOXLIIG-HNNXBMFYSA-N -1 3 394.479 3.354 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821827821 599412902 /nfs/dbraw/zinc/41/29/02/599412902.db2.gz KDDAZLVIXGSKGA-VXGBXAGGSA-N -1 3 384.415 3.136 20 0 GGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821827821 599412904 /nfs/dbraw/zinc/41/29/04/599412904.db2.gz KDDAZLVIXGSKGA-VXGBXAGGSA-N -1 3 384.415 3.136 20 0 GGADHM O=c1ccccn1Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000738381374 599417989 /nfs/dbraw/zinc/41/79/89/599417989.db2.gz ZUULDZGIQVBAKY-UHFFFAOYSA-N -1 3 392.850 3.342 20 0 GGADHM O=c1ccccn1Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000738381374 599417990 /nfs/dbraw/zinc/41/79/90/599417990.db2.gz ZUULDZGIQVBAKY-UHFFFAOYSA-N -1 3 392.850 3.342 20 0 GGADHM O=C(Nc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1)c1ccc(F)cc1 ZINC000823323686 599423642 /nfs/dbraw/zinc/42/36/42/599423642.db2.gz ZIEYLDLGHOPXSO-UHFFFAOYSA-N -1 3 392.394 3.141 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccc(C)cc2)n1C ZINC000821752099 607376446 /nfs/dbraw/zinc/37/64/46/607376446.db2.gz GOGNYFKRPWDEKH-UHFFFAOYSA-N -1 3 393.476 3.272 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccc(C)cc2)n1C ZINC000821752099 607376448 /nfs/dbraw/zinc/37/64/48/607376448.db2.gz GOGNYFKRPWDEKH-UHFFFAOYSA-N -1 3 393.476 3.272 20 0 GGADHM C[C@@H](NC(=O)NCc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820374482 599425344 /nfs/dbraw/zinc/42/53/44/599425344.db2.gz ODCHQULFYKLNIB-LLVKDONJSA-N -1 3 390.369 3.446 20 0 GGADHM C[C@@H](NC(=O)NCc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820374482 599425346 /nfs/dbraw/zinc/42/53/46/599425346.db2.gz ODCHQULFYKLNIB-LLVKDONJSA-N -1 3 390.369 3.446 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736750143 599425458 /nfs/dbraw/zinc/42/54/58/599425458.db2.gz UANGNEMYPSFXTB-CYBMUJFWSA-N -1 3 392.891 3.356 20 0 GGADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736750143 599425461 /nfs/dbraw/zinc/42/54/61/599425461.db2.gz UANGNEMYPSFXTB-CYBMUJFWSA-N -1 3 392.891 3.356 20 0 GGADHM C[C@@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000824052738 607377355 /nfs/dbraw/zinc/37/73/55/607377355.db2.gz QXUZJIRZJYIRGS-SECBINFHSA-N -1 3 376.825 3.111 20 0 GGADHM C[C@@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000824052738 607377357 /nfs/dbraw/zinc/37/73/57/607377357.db2.gz QXUZJIRZJYIRGS-SECBINFHSA-N -1 3 376.825 3.111 20 0 GGADHM C[C@@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372878 599436686 /nfs/dbraw/zinc/43/66/86/599436686.db2.gz CXLJFHPQFYOKHZ-LLVKDONJSA-N -1 3 385.497 3.181 20 0 GGADHM C[C@@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372878 599436689 /nfs/dbraw/zinc/43/66/89/599436689.db2.gz CXLJFHPQFYOKHZ-LLVKDONJSA-N -1 3 385.497 3.181 20 0 GGADHM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCN1c1ccccc1 ZINC000738296181 599439485 /nfs/dbraw/zinc/43/94/85/599439485.db2.gz KSAUSGKEUDHMNF-SFHVURJKSA-N -1 3 385.431 3.022 20 0 GGADHM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCN1c1ccccc1 ZINC000738296181 599439488 /nfs/dbraw/zinc/43/94/88/599439488.db2.gz KSAUSGKEUDHMNF-SFHVURJKSA-N -1 3 385.431 3.022 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822234653 599440479 /nfs/dbraw/zinc/44/04/79/599440479.db2.gz CLOWENRCIWFSRV-HZPDHXFCSA-N -1 3 378.480 3.475 20 0 GGADHM Cc1ccc(C[C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822234653 599440483 /nfs/dbraw/zinc/44/04/83/599440483.db2.gz CLOWENRCIWFSRV-HZPDHXFCSA-N -1 3 378.480 3.475 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358839 599442030 /nfs/dbraw/zinc/44/20/30/599442030.db2.gz PJJSNRZPDAJILP-PXAZEXFGSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358839 599442031 /nfs/dbraw/zinc/44/20/31/599442031.db2.gz PJJSNRZPDAJILP-PXAZEXFGSA-N -1 3 396.426 3.280 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822370248 599442995 /nfs/dbraw/zinc/44/29/95/599442995.db2.gz URQJOUPBVVIWDF-WMLDXEAASA-N -1 3 379.468 3.328 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822370248 599442996 /nfs/dbraw/zinc/44/29/96/599442996.db2.gz URQJOUPBVVIWDF-WMLDXEAASA-N -1 3 379.468 3.328 20 0 GGADHM CCc1cccc(CC)c1S(=O)(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736696770 599447355 /nfs/dbraw/zinc/44/73/55/599447355.db2.gz AJAIKPAYJLZYGZ-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM CCc1cccc(CC)c1S(=O)(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736696770 599447357 /nfs/dbraw/zinc/44/73/57/599447357.db2.gz AJAIKPAYJLZYGZ-CYBMUJFWSA-N -1 3 385.493 3.031 20 0 GGADHM Cc1ccc([C@@H](C)N(C)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822229415 599454311 /nfs/dbraw/zinc/45/43/11/599454311.db2.gz UJXGVPNAZIYVEZ-MRXNPFEDSA-N -1 3 394.479 3.265 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196679 599456595 /nfs/dbraw/zinc/45/65/95/599456595.db2.gz SHGSVMFBSVJDFB-MRXNPFEDSA-N -1 3 378.480 3.256 20 0 GGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196679 599456597 /nfs/dbraw/zinc/45/65/97/599456597.db2.gz SHGSVMFBSVJDFB-MRXNPFEDSA-N -1 3 378.480 3.256 20 0 GGADHM Cc1cc(C)cc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000822196327 599459986 /nfs/dbraw/zinc/45/99/86/599459986.db2.gz FEIVEYRHVXZQLC-UHFFFAOYSA-N -1 3 378.480 3.057 20 0 GGADHM Cc1cc(C)cc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000822196327 599459989 /nfs/dbraw/zinc/45/99/89/599459989.db2.gz FEIVEYRHVXZQLC-UHFFFAOYSA-N -1 3 378.480 3.057 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC(c2ccccc2)CC1 ZINC000823235793 599462932 /nfs/dbraw/zinc/46/29/32/599462932.db2.gz YBAJZTAZZLOMSD-UHFFFAOYSA-N -1 3 380.427 3.095 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC(c2ccccc2)CC1 ZINC000823235793 599462936 /nfs/dbraw/zinc/46/29/36/599462936.db2.gz YBAJZTAZZLOMSD-UHFFFAOYSA-N -1 3 380.427 3.095 20 0 GGADHM CCCN(Cc1ccc(OC)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821110318 599463876 /nfs/dbraw/zinc/46/38/76/599463876.db2.gz ZSYIEEIJSTUPKX-UHFFFAOYSA-N -1 3 398.442 3.136 20 0 GGADHM CCCN(Cc1ccc(OC)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821110318 599463879 /nfs/dbraw/zinc/46/38/79/599463879.db2.gz ZSYIEEIJSTUPKX-UHFFFAOYSA-N -1 3 398.442 3.136 20 0 GGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822356667 599464356 /nfs/dbraw/zinc/46/43/56/599464356.db2.gz XOOPCACOOQRJKU-SFHVURJKSA-N -1 3 394.454 3.231 20 0 GGADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822356667 599464357 /nfs/dbraw/zinc/46/43/57/599464357.db2.gz XOOPCACOOQRJKU-SFHVURJKSA-N -1 3 394.454 3.231 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000822351961 599464426 /nfs/dbraw/zinc/46/44/26/599464426.db2.gz SGGWTCSAGFEDAF-RHSMWYFYSA-N -1 3 394.454 3.402 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000822351961 599464428 /nfs/dbraw/zinc/46/44/28/599464428.db2.gz SGGWTCSAGFEDAF-RHSMWYFYSA-N -1 3 394.454 3.402 20 0 GGADHM CO[C@H](CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21)c1ccccc1 ZINC000821676660 599469228 /nfs/dbraw/zinc/46/92/28/599469228.db2.gz DDAGMDKKJSPVEJ-QGZVFWFLSA-N -1 3 378.411 3.084 20 0 GGADHM CO[C@H](CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21)c1ccccc1 ZINC000821676660 599469230 /nfs/dbraw/zinc/46/92/30/599469230.db2.gz DDAGMDKKJSPVEJ-QGZVFWFLSA-N -1 3 378.411 3.084 20 0 GGADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736056558 599469449 /nfs/dbraw/zinc/46/94/49/599469449.db2.gz PADDFFNFYHBKBP-ZDUSSCGKSA-N -1 3 384.871 3.022 20 0 GGADHM O=C(CC1CCCC1)N1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000822940863 599469616 /nfs/dbraw/zinc/46/96/16/599469616.db2.gz HSPKOIUAYQFTBB-UHFFFAOYSA-N -1 3 388.903 3.139 20 0 GGADHM O=C(CC1CCCC1)N1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000822940863 599469619 /nfs/dbraw/zinc/46/96/19/599469619.db2.gz HSPKOIUAYQFTBB-UHFFFAOYSA-N -1 3 388.903 3.139 20 0 GGADHM Brc1csc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000819688040 599481374 /nfs/dbraw/zinc/48/13/74/599481374.db2.gz BSBZDMZIJMMJBO-UHFFFAOYSA-N -1 3 387.266 3.273 20 0 GGADHM Brc1csc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000819688040 599481378 /nfs/dbraw/zinc/48/13/78/599481378.db2.gz BSBZDMZIJMMJBO-UHFFFAOYSA-N -1 3 387.266 3.273 20 0 GGADHM Fc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)c(-c2nnn[n-]2)c1 ZINC000822778146 599483671 /nfs/dbraw/zinc/48/36/71/599483671.db2.gz DOVALKOYOOUDQB-UHFFFAOYSA-N -1 3 394.241 3.034 20 0 GGADHM Fc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)c(-c2nn[n-]n2)c1 ZINC000822778146 599483672 /nfs/dbraw/zinc/48/36/72/599483672.db2.gz DOVALKOYOOUDQB-UHFFFAOYSA-N -1 3 394.241 3.034 20 0 GGADHM Cc1ccc([C@H](CNc2c(Cl)cccc2-c2nnn[n-]2)N2CCOCC2)cc1 ZINC000822230965 599486226 /nfs/dbraw/zinc/48/62/26/599486226.db2.gz WIQNODFCYOAFMX-SFHVURJKSA-N -1 3 398.898 3.314 20 0 GGADHM Cc1ccc([C@H](CNc2c(Cl)cccc2-c2nn[n-]n2)N2CCOCC2)cc1 ZINC000822230965 599486227 /nfs/dbraw/zinc/48/62/27/599486227.db2.gz WIQNODFCYOAFMX-SFHVURJKSA-N -1 3 398.898 3.314 20 0 GGADHM CC(C)CC[C@@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820072712 599488299 /nfs/dbraw/zinc/48/82/99/599488299.db2.gz LMYLERJLSQCUPY-JOCHJYFZSA-N -1 3 393.491 3.451 20 0 GGADHM CC(C)CC[C@@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820072712 599488301 /nfs/dbraw/zinc/48/83/01/599488301.db2.gz LMYLERJLSQCUPY-JOCHJYFZSA-N -1 3 393.491 3.451 20 0 GGADHM Fc1ccc(NCCOc2cccc(Br)c2)c(-c2nnn[n-]2)c1 ZINC000822779543 599489209 /nfs/dbraw/zinc/48/92/09/599489209.db2.gz WCTPUHZSUBYNOA-UHFFFAOYSA-N -1 3 378.205 3.259 20 0 GGADHM Fc1ccc(NCCOc2cccc(Br)c2)c(-c2nn[n-]n2)c1 ZINC000822779543 599489212 /nfs/dbraw/zinc/48/92/12/599489212.db2.gz WCTPUHZSUBYNOA-UHFFFAOYSA-N -1 3 378.205 3.259 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000736815352 599492254 /nfs/dbraw/zinc/49/22/54/599492254.db2.gz YCGZCEXDCWPJSD-IBGZPJMESA-N -1 3 376.464 3.029 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000736815352 599492258 /nfs/dbraw/zinc/49/22/58/599492258.db2.gz YCGZCEXDCWPJSD-IBGZPJMESA-N -1 3 376.464 3.029 20 0 GGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736238496 599492714 /nfs/dbraw/zinc/49/27/14/599492714.db2.gz ZJFRVUWHMPPNMT-CXAGYDPISA-N -1 3 380.427 3.093 20 0 GGADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736238496 599492716 /nfs/dbraw/zinc/49/27/16/599492716.db2.gz ZJFRVUWHMPPNMT-CXAGYDPISA-N -1 3 380.427 3.093 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000736820068 599492732 /nfs/dbraw/zinc/49/27/32/599492732.db2.gz KMOIRESMYXWJJF-LJQANCHMSA-N -1 3 376.464 3.029 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000736820068 599492734 /nfs/dbraw/zinc/49/27/34/599492734.db2.gz KMOIRESMYXWJJF-LJQANCHMSA-N -1 3 376.464 3.029 20 0 GGADHM Cc1cccc(-c2cncc(C(=O)OCC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000826295307 607381446 /nfs/dbraw/zinc/38/14/46/607381446.db2.gz BORVZDULLILQBR-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM Cc1cccc(-c2cncc(C(=O)OCC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826295307 607381448 /nfs/dbraw/zinc/38/14/48/607381448.db2.gz BORVZDULLILQBR-UHFFFAOYSA-N -1 3 399.410 3.277 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2[nH]cnc2c1 ZINC000735831762 599494587 /nfs/dbraw/zinc/49/45/87/599494587.db2.gz VATBGHVXTFNQGG-UHFFFAOYSA-N -1 3 375.436 3.041 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821699456 599494677 /nfs/dbraw/zinc/49/46/77/599494677.db2.gz QGIBLWPZYQJMKY-HRAATJIYSA-N -1 3 376.416 3.075 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000821699456 599494678 /nfs/dbraw/zinc/49/46/78/599494678.db2.gz QGIBLWPZYQJMKY-HRAATJIYSA-N -1 3 376.416 3.075 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821699457 599494815 /nfs/dbraw/zinc/49/48/15/599494815.db2.gz QGIBLWPZYQJMKY-IERDGZPVSA-N -1 3 376.416 3.075 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000821699457 599494816 /nfs/dbraw/zinc/49/48/16/599494816.db2.gz QGIBLWPZYQJMKY-IERDGZPVSA-N -1 3 376.416 3.075 20 0 GGADHM CCCOc1ncccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000821139114 599495061 /nfs/dbraw/zinc/49/50/61/599495061.db2.gz OPIOZLGWYBFHMQ-UHFFFAOYSA-N -1 3 393.426 3.080 20 0 GGADHM CCCOc1ncccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000821139114 599495063 /nfs/dbraw/zinc/49/50/63/599495063.db2.gz OPIOZLGWYBFHMQ-UHFFFAOYSA-N -1 3 393.426 3.080 20 0 GGADHM Cc1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822208447 599495742 /nfs/dbraw/zinc/49/57/42/599495742.db2.gz SBMNXAHVHWAUAB-UHFFFAOYSA-N -1 3 377.326 3.211 20 0 GGADHM C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391410 599498794 /nfs/dbraw/zinc/49/87/94/599498794.db2.gz PDANFVWYOKQOTI-LBPRGKRZSA-N -1 3 379.468 3.187 20 0 GGADHM C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391410 599498797 /nfs/dbraw/zinc/49/87/97/599498797.db2.gz PDANFVWYOKQOTI-LBPRGKRZSA-N -1 3 379.468 3.187 20 0 GGADHM Cc1ccc(Nc2cccc(C(=O)OCc3ccccc3-c3nnn[n-]3)c2)nn1 ZINC000737362940 599499218 /nfs/dbraw/zinc/49/92/18/599499218.db2.gz ZAXWYIMYIAMDBH-UHFFFAOYSA-N -1 3 387.403 3.066 20 0 GGADHM Cc1ccc(Nc2cccc(C(=O)OCc3ccccc3-c3nn[n-]n3)c2)nn1 ZINC000737362940 599499220 /nfs/dbraw/zinc/49/92/20/599499220.db2.gz ZAXWYIMYIAMDBH-UHFFFAOYSA-N -1 3 387.403 3.066 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Oc2nccs2)c1 ZINC000738232935 599500072 /nfs/dbraw/zinc/50/00/72/599500072.db2.gz XRCMUXVYVBXLCW-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Oc2nccs2)c1 ZINC000738232935 599500074 /nfs/dbraw/zinc/50/00/74/599500074.db2.gz XRCMUXVYVBXLCW-UHFFFAOYSA-N -1 3 379.401 3.473 20 0 GGADHM O=C(NCCCC1CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000738055285 599500176 /nfs/dbraw/zinc/50/01/76/599500176.db2.gz JRLLXFMHKRXJBW-UHFFFAOYSA-N -1 3 379.424 3.366 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000736638029 599501384 /nfs/dbraw/zinc/50/13/84/599501384.db2.gz WSDWBFCNZDLERZ-QGZVFWFLSA-N -1 3 392.463 3.408 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000736638029 599501387 /nfs/dbraw/zinc/50/13/87/599501387.db2.gz WSDWBFCNZDLERZ-QGZVFWFLSA-N -1 3 392.463 3.408 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737292089 599502487 /nfs/dbraw/zinc/50/24/87/599502487.db2.gz RNDWDJKJLNMBPJ-OAHLLOKOSA-N -1 3 380.427 3.411 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737292089 599502489 /nfs/dbraw/zinc/50/24/89/599502489.db2.gz RNDWDJKJLNMBPJ-OAHLLOKOSA-N -1 3 380.427 3.411 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000737290598 599502604 /nfs/dbraw/zinc/50/26/04/599502604.db2.gz DLGOUTRQXYHLRJ-IBGZPJMESA-N -1 3 385.431 3.481 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000737290598 599502606 /nfs/dbraw/zinc/50/26/06/599502606.db2.gz DLGOUTRQXYHLRJ-IBGZPJMESA-N -1 3 385.431 3.481 20 0 GGADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N(C)C1CC1 ZINC000737279258 599502742 /nfs/dbraw/zinc/50/27/42/599502742.db2.gz IGHXBNBLWJUEQO-UHFFFAOYSA-N -1 3 378.436 3.380 20 0 GGADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N(C)C1CC1 ZINC000737279258 599502745 /nfs/dbraw/zinc/50/27/45/599502745.db2.gz IGHXBNBLWJUEQO-UHFFFAOYSA-N -1 3 378.436 3.380 20 0 GGADHM O=C(NCCCC1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000738055670 599502808 /nfs/dbraw/zinc/50/28/08/599502808.db2.gz OVMAVWDAQPWDOG-UHFFFAOYSA-N -1 3 379.424 3.366 20 0 GGADHM O=C(NCCCC1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000738055670 599502812 /nfs/dbraw/zinc/50/28/12/599502812.db2.gz OVMAVWDAQPWDOG-UHFFFAOYSA-N -1 3 379.424 3.366 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821014008 599505648 /nfs/dbraw/zinc/50/56/48/599505648.db2.gz APRUWYMOLZLKLY-CHWSQXEVSA-N -1 3 376.892 3.041 20 0 GGADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821014008 599505649 /nfs/dbraw/zinc/50/56/49/599505649.db2.gz APRUWYMOLZLKLY-CHWSQXEVSA-N -1 3 376.892 3.041 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820391420 599507138 /nfs/dbraw/zinc/50/71/38/599507138.db2.gz PNMLANDEMBBQAM-CYBMUJFWSA-N -1 3 386.415 3.125 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820391420 599507140 /nfs/dbraw/zinc/50/71/40/599507140.db2.gz PNMLANDEMBBQAM-CYBMUJFWSA-N -1 3 386.415 3.125 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821845597 599508130 /nfs/dbraw/zinc/50/81/30/599508130.db2.gz IAVTXDACDKSLMD-QWHCGFSZSA-N -1 3 383.477 3.233 20 0 GGADHM COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821845597 599508131 /nfs/dbraw/zinc/50/81/31/599508131.db2.gz IAVTXDACDKSLMD-QWHCGFSZSA-N -1 3 383.477 3.233 20 0 GGADHM C[C@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335147 599509012 /nfs/dbraw/zinc/50/90/12/599509012.db2.gz UIWCHHCUOGYZFK-LBPRGKRZSA-N -1 3 392.394 3.081 20 0 GGADHM C[C@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335147 599509015 /nfs/dbraw/zinc/50/90/15/599509015.db2.gz UIWCHHCUOGYZFK-LBPRGKRZSA-N -1 3 392.394 3.081 20 0 GGADHM CCc1nc2ccccc2n1CCNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000821509601 599511040 /nfs/dbraw/zinc/51/10/40/599511040.db2.gz JYMRRNPZLRYPAV-UHFFFAOYSA-N -1 3 398.474 3.169 20 0 GGADHM CCc1nc2ccccc2n1CCNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000821509601 599511043 /nfs/dbraw/zinc/51/10/43/599511043.db2.gz JYMRRNPZLRYPAV-UHFFFAOYSA-N -1 3 398.474 3.169 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](CNc2ccccn2)C1 ZINC000822332338 599512152 /nfs/dbraw/zinc/51/21/52/599512152.db2.gz OOVRZRZJGWURSQ-OAHLLOKOSA-N -1 3 386.463 3.057 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](CNc2ccccn2)C1 ZINC000822332338 599512154 /nfs/dbraw/zinc/51/21/54/599512154.db2.gz OOVRZRZJGWURSQ-OAHLLOKOSA-N -1 3 386.463 3.057 20 0 GGADHM CC(C)Oc1ncc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000820178566 599513299 /nfs/dbraw/zinc/51/32/99/599513299.db2.gz UHNQBYICNUEHLH-NSHDSACASA-N -1 3 386.843 3.193 20 0 GGADHM CC(C)Oc1ncc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000820178566 599513302 /nfs/dbraw/zinc/51/33/02/599513302.db2.gz UHNQBYICNUEHLH-NSHDSACASA-N -1 3 386.843 3.193 20 0 GGADHM C[C@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390799 599514459 /nfs/dbraw/zinc/51/44/59/599514459.db2.gz KUGJFNJDVBOXDE-JTQLQIEISA-N -1 3 398.373 3.440 20 0 GGADHM C[C@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390799 599514461 /nfs/dbraw/zinc/51/44/61/599514461.db2.gz KUGJFNJDVBOXDE-JTQLQIEISA-N -1 3 398.373 3.440 20 0 GGADHM C[C@@H](OC(=O)c1csc(Nc2ccccn2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162856 599515486 /nfs/dbraw/zinc/51/54/86/599515486.db2.gz DQMVCWFOUQWMFI-LLVKDONJSA-N -1 3 393.432 3.380 20 0 GGADHM C[C@@H](OC(=O)c1csc(Nc2ccccn2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162856 599515488 /nfs/dbraw/zinc/51/54/88/599515488.db2.gz DQMVCWFOUQWMFI-LLVKDONJSA-N -1 3 393.432 3.380 20 0 GGADHM C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335309 599517077 /nfs/dbraw/zinc/51/70/77/599517077.db2.gz VWTMWXHZIQBSKB-ZDUSSCGKSA-N -1 3 390.472 3.410 20 0 GGADHM C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335309 599517080 /nfs/dbraw/zinc/51/70/80/599517080.db2.gz VWTMWXHZIQBSKB-ZDUSSCGKSA-N -1 3 390.472 3.410 20 0 GGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000820236047 607382082 /nfs/dbraw/zinc/38/20/82/607382082.db2.gz WKKQPJODEHAQKM-KZULUSFZSA-N -1 3 394.866 3.414 20 0 GGADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000820236047 607382084 /nfs/dbraw/zinc/38/20/84/607382084.db2.gz WKKQPJODEHAQKM-KZULUSFZSA-N -1 3 394.866 3.414 20 0 GGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccnc(N2CCCC2)c1 ZINC000737626777 599519303 /nfs/dbraw/zinc/51/93/03/599519303.db2.gz LDZXSZZMRAPXFX-UHFFFAOYSA-N -1 3 389.385 3.493 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822210428 599519872 /nfs/dbraw/zinc/51/98/72/599519872.db2.gz AQQFYQFMBMPTLG-STQMWFEESA-N -1 3 385.855 3.473 20 0 GGADHM Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822210428 599519875 /nfs/dbraw/zinc/51/98/75/599519875.db2.gz AQQFYQFMBMPTLG-STQMWFEESA-N -1 3 385.855 3.473 20 0 GGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(=O)NCc1ccccc1 ZINC000736140643 599519899 /nfs/dbraw/zinc/51/98/99/599519899.db2.gz YGRMUPBKKIRTQC-NSHDSACASA-N -1 3 390.369 3.002 20 0 GGADHM Fc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)cc1F ZINC000822765962 599521556 /nfs/dbraw/zinc/52/15/56/599521556.db2.gz CNFRLBKMSUCZJO-HNNXBMFYSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)cc1F ZINC000822765962 599521558 /nfs/dbraw/zinc/52/15/58/599521558.db2.gz CNFRLBKMSUCZJO-HNNXBMFYSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1cccc([C@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)c1 ZINC000822786504 599522324 /nfs/dbraw/zinc/52/23/24/599522324.db2.gz LMVGBQJBIMASAD-GOSISDBHSA-N -1 3 376.395 3.132 20 0 GGADHM Fc1cccc([C@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)c1 ZINC000822786504 599522326 /nfs/dbraw/zinc/52/23/26/599522326.db2.gz LMVGBQJBIMASAD-GOSISDBHSA-N -1 3 376.395 3.132 20 0 GGADHM Fc1ccc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822779303 599522851 /nfs/dbraw/zinc/52/28/51/599522851.db2.gz VGWKMZWTKCERCI-INIZCTEOSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1ccc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822779303 599522853 /nfs/dbraw/zinc/52/28/53/599522853.db2.gz VGWKMZWTKCERCI-INIZCTEOSA-N -1 3 377.782 3.376 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](n2ccnc2)C1 ZINC000822774884 599524048 /nfs/dbraw/zinc/52/40/48/599524048.db2.gz QXTZNAQGVGIEJV-NSHDSACASA-N -1 3 398.833 3.245 20 0 GGADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](n2ccnc2)C1 ZINC000822774884 599524049 /nfs/dbraw/zinc/52/40/49/599524049.db2.gz QXTZNAQGVGIEJV-NSHDSACASA-N -1 3 398.833 3.245 20 0 GGADHM CC(C)(C)OC(=O)NCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735636593 599524577 /nfs/dbraw/zinc/52/45/77/599524577.db2.gz ZXSLKZDASHBPON-UHFFFAOYSA-N -1 3 386.378 3.212 20 0 GGADHM COc1ccccc1CCN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821891218 599526203 /nfs/dbraw/zinc/52/62/03/599526203.db2.gz XJWHZOGQYXXLSR-UHFFFAOYSA-N -1 3 396.401 3.381 20 0 GGADHM COc1ccccc1CCN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821891218 599526205 /nfs/dbraw/zinc/52/62/05/599526205.db2.gz XJWHZOGQYXXLSR-UHFFFAOYSA-N -1 3 396.401 3.381 20 0 GGADHM CCc1c(Cl)nc(C)nc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821465981 599526525 /nfs/dbraw/zinc/52/65/25/599526525.db2.gz STNJDZGWSZUIQH-UHFFFAOYSA-N -1 3 399.886 3.229 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822015497 599526895 /nfs/dbraw/zinc/52/68/95/599526895.db2.gz KYOBIOPEUOPCFB-GFCCVEGCSA-N -1 3 392.463 3.149 20 0 GGADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822015497 599526898 /nfs/dbraw/zinc/52/68/98/599526898.db2.gz KYOBIOPEUOPCFB-GFCCVEGCSA-N -1 3 392.463 3.149 20 0 GGADHM Cc1noc(C)c1C[C@H](C)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737535437 599531225 /nfs/dbraw/zinc/53/12/25/599531225.db2.gz ACGHGBCAOOBNOB-QMMMGPOBSA-N -1 3 385.378 3.341 20 0 GGADHM Cc1noc(C)c1C[C@H](C)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737535437 599531228 /nfs/dbraw/zinc/53/12/28/599531228.db2.gz ACGHGBCAOOBNOB-QMMMGPOBSA-N -1 3 385.378 3.341 20 0 GGADHM C[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334808 599535984 /nfs/dbraw/zinc/53/59/84/599535984.db2.gz QMCCAVYWZZHTCT-NSHDSACASA-N -1 3 380.433 3.003 20 0 GGADHM C[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334808 599535988 /nfs/dbraw/zinc/53/59/88/599535988.db2.gz QMCCAVYWZZHTCT-NSHDSACASA-N -1 3 380.433 3.003 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335175 599536416 /nfs/dbraw/zinc/53/64/16/599536416.db2.gz VEUNWATYUKMAGX-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM C[C@H](NC(=O)Cc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335175 599536418 /nfs/dbraw/zinc/53/64/18/599536418.db2.gz VEUNWATYUKMAGX-NSHDSACASA-N -1 3 386.253 3.049 20 0 GGADHM C[C@H](NC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321819 599538913 /nfs/dbraw/zinc/53/89/13/599538913.db2.gz MVJSFDXFNGVJNO-PRDAAYKISA-N -1 3 376.445 3.367 20 0 GGADHM C[C@H](NC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321819 599538917 /nfs/dbraw/zinc/53/89/17/599538917.db2.gz MVJSFDXFNGVJNO-PRDAAYKISA-N -1 3 376.445 3.367 20 0 GGADHM C[C@@H](NC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321821 599538941 /nfs/dbraw/zinc/53/89/41/599538941.db2.gz MVJSFDXFNGVJNO-ZWLSGLHFSA-N -1 3 376.445 3.367 20 0 GGADHM C[C@@H](NC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321821 599538944 /nfs/dbraw/zinc/53/89/44/599538944.db2.gz MVJSFDXFNGVJNO-ZWLSGLHFSA-N -1 3 376.445 3.367 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822160965 599539940 /nfs/dbraw/zinc/53/99/40/599539940.db2.gz MKBMCXTZLHSOIK-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1cc(Br)ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822160965 599539943 /nfs/dbraw/zinc/53/99/43/599539943.db2.gz MKBMCXTZLHSOIK-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM COc1ccc(CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821790266 599539990 /nfs/dbraw/zinc/53/99/90/599539990.db2.gz LSZAYAWDRZHWGF-GFCCVEGCSA-N -1 3 385.855 3.339 20 0 GGADHM COc1ccc(CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821790266 599539993 /nfs/dbraw/zinc/53/99/93/599539993.db2.gz LSZAYAWDRZHWGF-GFCCVEGCSA-N -1 3 385.855 3.339 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736055931 599541183 /nfs/dbraw/zinc/54/11/83/599541183.db2.gz JRHWIKZJABOCCY-LBPRGKRZSA-N -1 3 389.381 3.381 20 0 GGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736055931 599541185 /nfs/dbraw/zinc/54/11/85/599541185.db2.gz JRHWIKZJABOCCY-LBPRGKRZSA-N -1 3 389.381 3.381 20 0 GGADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2cnc(C(C)C)nc2C1 ZINC000822334373 599541613 /nfs/dbraw/zinc/54/16/13/599541613.db2.gz CKJKLRSGPNFKFV-UHFFFAOYSA-N -1 3 386.463 3.199 20 0 GGADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2cnc(C(C)C)nc2C1 ZINC000822334373 599541615 /nfs/dbraw/zinc/54/16/15/599541615.db2.gz CKJKLRSGPNFKFV-UHFFFAOYSA-N -1 3 386.463 3.199 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000822581783 599542985 /nfs/dbraw/zinc/54/29/85/599542985.db2.gz OCOQDLOSNSWTQJ-CQSZACIVSA-N -1 3 391.866 3.181 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000822581783 599542986 /nfs/dbraw/zinc/54/29/86/599542986.db2.gz OCOQDLOSNSWTQJ-CQSZACIVSA-N -1 3 391.866 3.181 20 0 GGADHM CC(C)c1ccc([C@@H](C)CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000735924357 599545740 /nfs/dbraw/zinc/54/57/40/599545740.db2.gz ROOSICJQSCCIDG-LBPRGKRZSA-N -1 3 397.508 3.425 20 0 GGADHM CC(C)c1ccc([C@@H](C)CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000735924357 599545741 /nfs/dbraw/zinc/54/57/41/599545741.db2.gz ROOSICJQSCCIDG-LBPRGKRZSA-N -1 3 397.508 3.425 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@@H]1CCOc2ccccc21 ZINC000822204514 599547670 /nfs/dbraw/zinc/54/76/70/599547670.db2.gz RKDCHSISOCQELI-ZDUSSCGKSA-N -1 3 390.422 3.263 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@@H]1CCOc2ccccc21 ZINC000822204514 599547672 /nfs/dbraw/zinc/54/76/72/599547672.db2.gz RKDCHSISOCQELI-ZDUSSCGKSA-N -1 3 390.422 3.263 20 0 GGADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820685359 599548003 /nfs/dbraw/zinc/54/80/03/599548003.db2.gz UDJKMLOYYPTIBF-UONOGXRCSA-N -1 3 381.436 3.299 20 0 GGADHM Fc1ccc(NCCc2nc(-c3ccc(Cl)cc3)no2)c(-c2nnn[n-]2)c1 ZINC000822782696 599548171 /nfs/dbraw/zinc/54/81/71/599548171.db2.gz BFORDBFURUUGQJ-UHFFFAOYSA-N -1 3 385.790 3.364 20 0 GGADHM Fc1ccc(NCCc2nc(-c3ccc(Cl)cc3)no2)c(-c2nn[n-]n2)c1 ZINC000822782696 599548174 /nfs/dbraw/zinc/54/81/74/599548174.db2.gz BFORDBFURUUGQJ-UHFFFAOYSA-N -1 3 385.790 3.364 20 0 GGADHM O[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccc2ccccc2c1 ZINC000823690915 599548404 /nfs/dbraw/zinc/54/84/04/599548404.db2.gz XSUMGEDYFAMERW-FQEVSTJZSA-N -1 3 382.427 3.136 20 0 GGADHM O[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccc2ccccc2c1 ZINC000823690915 599548407 /nfs/dbraw/zinc/54/84/07/599548407.db2.gz XSUMGEDYFAMERW-FQEVSTJZSA-N -1 3 382.427 3.136 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000820717299 599550784 /nfs/dbraw/zinc/55/07/84/599550784.db2.gz PCOOQAHRXNCKLU-JKIFEVAISA-N -1 3 381.436 3.227 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1coc(-c2ccc(F)cc2)n1 ZINC000826252646 607383705 /nfs/dbraw/zinc/38/37/05/607383705.db2.gz MJBDQHJAJOHSAB-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1coc(-c2ccc(F)cc2)n1 ZINC000826252646 607383707 /nfs/dbraw/zinc/38/37/07/607383707.db2.gz MJBDQHJAJOHSAB-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)c(Br)c1 ZINC000823308456 599556342 /nfs/dbraw/zinc/55/63/42/599556342.db2.gz AXUTVWWGBSLUSE-UHFFFAOYSA-N -1 3 377.177 3.412 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)c(Br)c1 ZINC000823308456 599556344 /nfs/dbraw/zinc/55/63/44/599556344.db2.gz AXUTVWWGBSLUSE-UHFFFAOYSA-N -1 3 377.177 3.412 20 0 GGADHM C[C@H]1CSCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736292784 599557232 /nfs/dbraw/zinc/55/72/32/599557232.db2.gz LXTHHJGQXHZIGK-AWEZNQCLSA-N -1 3 395.488 3.023 20 0 GGADHM C[C@H]1CSCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736292784 599557234 /nfs/dbraw/zinc/55/72/34/599557234.db2.gz LXTHHJGQXHZIGK-AWEZNQCLSA-N -1 3 395.488 3.023 20 0 GGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737328684 599560137 /nfs/dbraw/zinc/56/01/37/599560137.db2.gz HBZXGXXXYIOPGR-KRWDZBQOSA-N -1 3 381.436 3.291 20 0 GGADHM Cc1ccc([C@@H]2CCCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737328684 599560139 /nfs/dbraw/zinc/56/01/39/599560139.db2.gz HBZXGXXXYIOPGR-KRWDZBQOSA-N -1 3 381.436 3.291 20 0 GGADHM Fc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822766713 599560432 /nfs/dbraw/zinc/56/04/32/599560432.db2.gz NRXMHXFZLRAAHG-KRWDZBQOSA-N -1 3 391.410 3.393 20 0 GGADHM Fc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822766713 599560435 /nfs/dbraw/zinc/56/04/35/599560435.db2.gz NRXMHXFZLRAAHG-KRWDZBQOSA-N -1 3 391.410 3.393 20 0 GGADHM C[C@H](c1ccccc1F)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820570571 599563542 /nfs/dbraw/zinc/56/35/42/599563542.db2.gz MTYAZPXEJCDRNZ-GFCCVEGCSA-N -1 3 379.399 3.249 20 0 GGADHM C[C@H](c1ccccc1F)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820570571 599563544 /nfs/dbraw/zinc/56/35/44/599563544.db2.gz MTYAZPXEJCDRNZ-GFCCVEGCSA-N -1 3 379.399 3.249 20 0 GGADHM Cc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822228730 599565120 /nfs/dbraw/zinc/56/51/20/599565120.db2.gz DINASNSLVAMOAH-CQSZACIVSA-N -1 3 375.436 3.418 20 0 GGADHM Cc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822228730 599565123 /nfs/dbraw/zinc/56/51/23/599565123.db2.gz DINASNSLVAMOAH-CQSZACIVSA-N -1 3 375.436 3.418 20 0 GGADHM COC[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736978676 599569784 /nfs/dbraw/zinc/56/97/84/599569784.db2.gz QVRQYDOIEMVSJH-OAHLLOKOSA-N -1 3 392.463 3.109 20 0 GGADHM FC(F)(F)c1csc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000822729039 607384377 /nfs/dbraw/zinc/38/43/77/607384377.db2.gz ROFULEPZTDURGC-SECBINFHSA-N -1 3 381.387 3.121 20 0 GGADHM FC(F)(F)c1csc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000822729039 607384379 /nfs/dbraw/zinc/38/43/79/607384379.db2.gz ROFULEPZTDURGC-SECBINFHSA-N -1 3 381.387 3.121 20 0 GGADHM O=C(c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000738269965 599574258 /nfs/dbraw/zinc/57/42/58/599574258.db2.gz ZSHLNTGHKQSERT-HNAYVOBHSA-N -1 3 375.432 3.070 20 0 GGADHM O=C(c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000738269965 599574261 /nfs/dbraw/zinc/57/42/61/599574261.db2.gz ZSHLNTGHKQSERT-HNAYVOBHSA-N -1 3 375.432 3.070 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738267461 599574330 /nfs/dbraw/zinc/57/43/30/599574330.db2.gz JJIKAIXTSWWOOU-IEBWSBKVSA-N -1 3 375.432 3.070 20 0 GGADHM O=C(c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738267461 599574332 /nfs/dbraw/zinc/57/43/32/599574332.db2.gz JJIKAIXTSWWOOU-IEBWSBKVSA-N -1 3 375.432 3.070 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000826252750 607385237 /nfs/dbraw/zinc/38/52/37/607385237.db2.gz QBJKWQFXMIPDTJ-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000826252750 607385239 /nfs/dbraw/zinc/38/52/39/607385239.db2.gz QBJKWQFXMIPDTJ-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1cccc(NC(=O)N2CCN([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737400586 599584836 /nfs/dbraw/zinc/58/48/36/599584836.db2.gz WNEANMSXDFIMBB-MRXNPFEDSA-N -1 3 391.479 3.086 20 0 GGADHM COc1ccc(C[C@@H]2CCCN(c3nc(C)cc(C)c3-c3nnn[n-]3)C2)cc1 ZINC000821790466 599591757 /nfs/dbraw/zinc/59/17/57/599591757.db2.gz OBKFJCRCDJKAGN-KRWDZBQOSA-N -1 3 378.480 3.346 20 0 GGADHM COc1ccc(C[C@@H]2CCCN(c3nc(C)cc(C)c3-c3nn[n-]n3)C2)cc1 ZINC000821790466 599591760 /nfs/dbraw/zinc/59/17/60/599591760.db2.gz OBKFJCRCDJKAGN-KRWDZBQOSA-N -1 3 378.480 3.346 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000738269953 599601509 /nfs/dbraw/zinc/60/15/09/599601509.db2.gz ZJPDIZUEDYNYPZ-OAHLLOKOSA-N -1 3 394.410 3.133 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000738269953 599601511 /nfs/dbraw/zinc/60/15/11/599601511.db2.gz ZJPDIZUEDYNYPZ-OAHLLOKOSA-N -1 3 394.410 3.133 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738116932 599601591 /nfs/dbraw/zinc/60/15/91/599601591.db2.gz MHMCVQXROUKFLJ-IEBWSBKVSA-N -1 3 376.464 3.077 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738116932 599601593 /nfs/dbraw/zinc/60/15/93/599601593.db2.gz MHMCVQXROUKFLJ-IEBWSBKVSA-N -1 3 376.464 3.077 20 0 GGADHM CC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(OC)cc1 ZINC000736382197 599605273 /nfs/dbraw/zinc/60/52/73/599605273.db2.gz LYJVTWGROMWFBA-ADYSOMBNSA-N -1 3 392.415 3.093 20 0 GGADHM CC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(OC)cc1 ZINC000736382197 599605275 /nfs/dbraw/zinc/60/52/75/599605275.db2.gz LYJVTWGROMWFBA-ADYSOMBNSA-N -1 3 392.415 3.093 20 0 GGADHM CC(C)(C)OC(=O)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735624297 599607002 /nfs/dbraw/zinc/60/70/02/599607002.db2.gz QZLZTFJWKWWEMO-UHFFFAOYSA-N -1 3 395.419 3.109 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)Cc1ccccc1F ZINC000736036881 599616793 /nfs/dbraw/zinc/61/67/93/599616793.db2.gz IRKFBNVTXVBTEC-UONOGXRCSA-N -1 3 384.411 3.195 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)Cc1ccccc1F ZINC000736036881 599616794 /nfs/dbraw/zinc/61/67/94/599616794.db2.gz IRKFBNVTXVBTEC-UONOGXRCSA-N -1 3 384.411 3.195 20 0 GGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735838085 599618843 /nfs/dbraw/zinc/61/88/43/599618843.db2.gz BWZZLSXIGQSZSM-XKQJLSEDSA-N -1 3 388.468 3.017 20 0 GGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000735839142 599618943 /nfs/dbraw/zinc/61/89/43/599618943.db2.gz LKDDZVJEMJKMPN-XYPHTWIQSA-N -1 3 388.468 3.017 20 0 GGADHM CC(C)CO[C@@H]1C[C@H](OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000735839142 599618945 /nfs/dbraw/zinc/61/89/45/599618945.db2.gz LKDDZVJEMJKMPN-XYPHTWIQSA-N -1 3 388.468 3.017 20 0 GGADHM CCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821077726 599619317 /nfs/dbraw/zinc/61/93/17/599619317.db2.gz RHKVSPCFZJCSPJ-CQSZACIVSA-N -1 3 392.463 3.025 20 0 GGADHM CCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821077726 599619318 /nfs/dbraw/zinc/61/93/18/599619318.db2.gz RHKVSPCFZJCSPJ-CQSZACIVSA-N -1 3 392.463 3.025 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822289166 599619533 /nfs/dbraw/zinc/61/95/33/599619533.db2.gz SZSLBEKISLZBKA-AWEZNQCLSA-N -1 3 392.463 3.114 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822289166 599619534 /nfs/dbraw/zinc/61/95/34/599619534.db2.gz SZSLBEKISLZBKA-AWEZNQCLSA-N -1 3 392.463 3.114 20 0 GGADHM CC(C)(C)c1ncc(C=CC(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965871 599623626 /nfs/dbraw/zinc/62/36/26/599623626.db2.gz QJSNOGAMMYCAPN-HJWRWDBZSA-N -1 3 399.476 3.256 20 0 GGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820939585 599624025 /nfs/dbraw/zinc/62/40/25/599624025.db2.gz WMBCNTJOBIJVTJ-QGTPRVQTSA-N -1 3 388.468 3.163 20 0 GGADHM Cc1ccc(C[C@H](OC(=O)COc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822235068 599626259 /nfs/dbraw/zinc/62/62/59/599626259.db2.gz QMIRXSZJGLDAIU-IBGZPJMESA-N -1 3 378.432 3.118 20 0 GGADHM CO[C@@H](C)CCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821674265 599626981 /nfs/dbraw/zinc/62/69/81/599626981.db2.gz ZABPDJZKDLYPMY-AWEZNQCLSA-N -1 3 382.420 3.028 20 0 GGADHM COc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821839679 599627199 /nfs/dbraw/zinc/62/71/99/599627199.db2.gz WZBYSEQHVVTUMP-UHFFFAOYSA-N -1 3 398.419 3.039 20 0 GGADHM COc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821839679 599627200 /nfs/dbraw/zinc/62/72/00/599627200.db2.gz WZBYSEQHVVTUMP-UHFFFAOYSA-N -1 3 398.419 3.039 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000819877295 599627641 /nfs/dbraw/zinc/62/76/41/599627641.db2.gz SJNNXYIIRXTPIQ-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000819877295 599627642 /nfs/dbraw/zinc/62/76/42/599627642.db2.gz SJNNXYIIRXTPIQ-QMMMGPOBSA-N -1 3 378.255 3.433 20 0 GGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820689667 599628440 /nfs/dbraw/zinc/62/84/40/599628440.db2.gz AOMHWLBBNLNKPS-RISCZKNCSA-N -1 3 384.465 3.276 20 0 GGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)O1 ZINC000820689667 599628441 /nfs/dbraw/zinc/62/84/41/599628441.db2.gz AOMHWLBBNLNKPS-RISCZKNCSA-N -1 3 384.465 3.276 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1SCCc2sccc21 ZINC000823383566 599629163 /nfs/dbraw/zinc/62/91/63/599629163.db2.gz UNMHFSXCVHSLET-ZDUSSCGKSA-N -1 3 389.531 3.448 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1SCCc2sccc21 ZINC000823383566 599629164 /nfs/dbraw/zinc/62/91/64/599629164.db2.gz UNMHFSXCVHSLET-ZDUSSCGKSA-N -1 3 389.531 3.448 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1SCCc2sccc21 ZINC000821390220 599629515 /nfs/dbraw/zinc/62/95/15/599629515.db2.gz UCHWDOXSBKPSOY-OAHLLOKOSA-N -1 3 388.474 3.263 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1SCCc2sccc21 ZINC000821390220 599629516 /nfs/dbraw/zinc/62/95/16/599629516.db2.gz UCHWDOXSBKPSOY-OAHLLOKOSA-N -1 3 388.474 3.263 20 0 GGADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)s1 ZINC000821465080 599630423 /nfs/dbraw/zinc/63/04/23/599630423.db2.gz BAPSVGQVLZZXBM-UHFFFAOYSA-N -1 3 396.476 3.020 20 0 GGADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)s1 ZINC000821465080 599630424 /nfs/dbraw/zinc/63/04/24/599630424.db2.gz BAPSVGQVLZZXBM-UHFFFAOYSA-N -1 3 396.476 3.020 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000821347501 599630548 /nfs/dbraw/zinc/63/05/48/599630548.db2.gz WFWGANIWSIWLLR-JTQLQIEISA-N -1 3 389.485 3.230 20 0 GGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000821347501 599630549 /nfs/dbraw/zinc/63/05/49/599630549.db2.gz WFWGANIWSIWLLR-JTQLQIEISA-N -1 3 389.485 3.230 20 0 GGADHM COc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821891082 599631933 /nfs/dbraw/zinc/63/19/33/599631933.db2.gz UNCMHRLHKAQUOK-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM COc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821891082 599631934 /nfs/dbraw/zinc/63/19/34/599631934.db2.gz UNCMHRLHKAQUOK-UHFFFAOYSA-N -1 3 377.326 3.075 20 0 GGADHM O=C(Cc1noc2ccccc12)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823118667 599632406 /nfs/dbraw/zinc/63/24/06/599632406.db2.gz LETTWWHETYUSAQ-UHFFFAOYSA-N -1 3 388.309 3.208 20 0 GGADHM O=C(Cc1noc2ccccc12)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823118667 599632407 /nfs/dbraw/zinc/63/24/07/599632407.db2.gz LETTWWHETYUSAQ-UHFFFAOYSA-N -1 3 388.309 3.208 20 0 GGADHM O=C(Nc1c(F)cc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823290219 599632415 /nfs/dbraw/zinc/63/24/15/599632415.db2.gz VAHGYAIIVPJHQB-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1c(F)cc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823290219 599632416 /nfs/dbraw/zinc/63/24/16/599632416.db2.gz VAHGYAIIVPJHQB-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM COc1ccc(F)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821828347 599632739 /nfs/dbraw/zinc/63/27/39/599632739.db2.gz TVZSYPUCYOKLCY-UHFFFAOYSA-N -1 3 381.289 3.286 20 0 GGADHM COc1ccc(F)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821828347 599632740 /nfs/dbraw/zinc/63/27/40/599632740.db2.gz TVZSYPUCYOKLCY-UHFFFAOYSA-N -1 3 381.289 3.286 20 0 GGADHM Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822197900 599632862 /nfs/dbraw/zinc/63/28/62/599632862.db2.gz UCGRQSIAXSHINB-NSHDSACASA-N -1 3 393.373 3.289 20 0 GGADHM Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822197900 599632863 /nfs/dbraw/zinc/63/28/63/599632863.db2.gz UCGRQSIAXSHINB-NSHDSACASA-N -1 3 393.373 3.289 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1Cl ZINC000820438492 599635056 /nfs/dbraw/zinc/63/50/56/599635056.db2.gz QPQNVBMXEAISND-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1Cl ZINC000820438492 599635057 /nfs/dbraw/zinc/63/50/57/599635057.db2.gz QPQNVBMXEAISND-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H]1C[C@H](c2cccc(F)c2)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820668630 599641282 /nfs/dbraw/zinc/64/12/82/599641282.db2.gz VRKWBFKZHJBOPJ-SCLBCKFNSA-N -1 3 380.427 3.027 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820658346 607386887 /nfs/dbraw/zinc/38/68/87/607386887.db2.gz RPBFBFMLRSEEJN-ZYHUDNBSSA-N -1 3 394.426 3.027 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820658346 607386889 /nfs/dbraw/zinc/38/68/89/607386889.db2.gz RPBFBFMLRSEEJN-ZYHUDNBSSA-N -1 3 394.426 3.027 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000821765651 599649498 /nfs/dbraw/zinc/64/94/98/599649498.db2.gz INVVSDLXCZMBKC-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM Cc1cc(C)c(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000822193986 599650284 /nfs/dbraw/zinc/65/02/84/599650284.db2.gz CPLDSEDYXCSTCD-UHFFFAOYSA-N -1 3 390.403 3.199 20 0 GGADHM Cc1cc(C)c(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000822193986 599650285 /nfs/dbraw/zinc/65/02/85/599650285.db2.gz CPLDSEDYXCSTCD-UHFFFAOYSA-N -1 3 390.403 3.199 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](CC(C)C)C2)c1-c1nnn[n-]1 ZINC000821988073 599653101 /nfs/dbraw/zinc/65/31/01/599653101.db2.gz BVEMXLXSQJEXDF-LBPRGKRZSA-N -1 3 386.525 3.369 20 0 GGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820967029 599655883 /nfs/dbraw/zinc/65/58/83/599655883.db2.gz KQMBFAMHVOWMSU-HIFRSBDPSA-N -1 3 381.436 3.299 20 0 GGADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1CCC(C(F)(F)F)CC1 ZINC000823065951 599657327 /nfs/dbraw/zinc/65/73/27/599657327.db2.gz GBTMBRNJPRLIRR-UHFFFAOYSA-N -1 3 399.442 3.444 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1CCC(C(F)(F)F)CC1 ZINC000823065951 599657328 /nfs/dbraw/zinc/65/73/28/599657328.db2.gz GBTMBRNJPRLIRR-UHFFFAOYSA-N -1 3 399.442 3.444 20 0 GGADHM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000820487483 599660190 /nfs/dbraw/zinc/66/01/90/599660190.db2.gz HHSKGSWHKDFQHI-KPZWWZAWSA-N -1 3 399.401 3.418 20 0 GGADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc2cccnc21 ZINC000823409937 599661867 /nfs/dbraw/zinc/66/18/67/599661867.db2.gz OGASMVUMXUFXKA-UHFFFAOYSA-N -1 3 395.806 3.304 20 0 GGADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc2cccnc21 ZINC000823409937 599661868 /nfs/dbraw/zinc/66/18/68/599661868.db2.gz OGASMVUMXUFXKA-UHFFFAOYSA-N -1 3 395.806 3.304 20 0 GGADHM O=C(COC(=O)C1CCCCCCC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823018326 599663396 /nfs/dbraw/zinc/66/33/96/599663396.db2.gz KPNCCHBHDBACGP-UHFFFAOYSA-N -1 3 391.859 3.362 20 0 GGADHM O=C(COC(=O)C1CCCCCCC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823018326 599663397 /nfs/dbraw/zinc/66/33/97/599663397.db2.gz KPNCCHBHDBACGP-UHFFFAOYSA-N -1 3 391.859 3.362 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CCCCCCC1 ZINC000823444749 599663795 /nfs/dbraw/zinc/66/37/95/599663795.db2.gz OBWBZSVGOSOGIN-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCCCC1 ZINC000823444749 599663796 /nfs/dbraw/zinc/66/37/96/599663796.db2.gz OBWBZSVGOSOGIN-UHFFFAOYSA-N -1 3 382.424 3.320 20 0 GGADHM CCCCCC[C@@H](C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821049901 599665142 /nfs/dbraw/zinc/66/51/42/599665142.db2.gz NRUVGLPMBAIAFU-LLVKDONJSA-N -1 3 377.445 3.165 20 0 GGADHM CC[C@]1(C)CCCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000820949474 599665816 /nfs/dbraw/zinc/66/58/16/599665816.db2.gz ATZLMTFZGBVHEO-LJQANCHMSA-N -1 3 388.541 3.322 20 0 GGADHM CC[C@]1(C)CCCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000820949474 599665817 /nfs/dbraw/zinc/66/58/17/599665817.db2.gz ATZLMTFZGBVHEO-LJQANCHMSA-N -1 3 388.541 3.322 20 0 GGADHM CCCOc1ccc(CCC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821134439 599668176 /nfs/dbraw/zinc/66/81/76/599668176.db2.gz VBYIZWKAGMGPPD-UHFFFAOYSA-N -1 3 384.411 3.471 20 0 GGADHM CCCOc1ccc(CCC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821134439 599668177 /nfs/dbraw/zinc/66/81/77/599668177.db2.gz VBYIZWKAGMGPPD-UHFFFAOYSA-N -1 3 384.411 3.471 20 0 GGADHM CCC(C)(C)CC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820847830 599673029 /nfs/dbraw/zinc/67/30/29/599673029.db2.gz MXNACASILLGQLZ-JTQLQIEISA-N -1 3 379.848 3.217 20 0 GGADHM CCC(C)(C)CC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820847830 599673030 /nfs/dbraw/zinc/67/30/30/599673030.db2.gz MXNACASILLGQLZ-JTQLQIEISA-N -1 3 379.848 3.217 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365885 599673212 /nfs/dbraw/zinc/67/32/12/599673212.db2.gz LICKHDLZWJHRKY-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM C[C@@H](NC(=O)NCc1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365885 599673213 /nfs/dbraw/zinc/67/32/13/599673213.db2.gz LICKHDLZWJHRKY-CYBMUJFWSA-N -1 3 389.419 3.082 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC1(c2ccc(Cl)cc2)CC1 ZINC000823234882 599675318 /nfs/dbraw/zinc/67/53/18/599675318.db2.gz PZMDXCGJDWHMAW-UHFFFAOYSA-N -1 3 386.818 3.148 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC1(c2ccc(Cl)cc2)CC1 ZINC000823234882 599675319 /nfs/dbraw/zinc/67/53/19/599675319.db2.gz PZMDXCGJDWHMAW-UHFFFAOYSA-N -1 3 386.818 3.148 20 0 GGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820121681 599678408 /nfs/dbraw/zinc/67/84/08/599678408.db2.gz UUXUHTFVTFVRLD-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820121681 599678409 /nfs/dbraw/zinc/67/84/09/599678409.db2.gz UUXUHTFVTFVRLD-UHFFFAOYSA-N -1 3 386.406 3.265 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCSC[C@@H]1c1ccccc1 ZINC000823234759 599679797 /nfs/dbraw/zinc/67/97/97/599679797.db2.gz NZPKTPYMUKIFGJ-QGZVFWFLSA-N -1 3 398.467 3.006 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCSC[C@@H]1c1ccccc1 ZINC000823234759 599679798 /nfs/dbraw/zinc/67/97/98/599679798.db2.gz NZPKTPYMUKIFGJ-QGZVFWFLSA-N -1 3 398.467 3.006 20 0 GGADHM C[C@@H](NC(=O)N(C)[C@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339270 599682048 /nfs/dbraw/zinc/68/20/48/599682048.db2.gz AYSLFRTUOPXMGX-KUHUBIRLSA-N -1 3 376.464 3.127 20 0 GGADHM C[C@@H](NC(=O)N(C)[C@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339270 599682049 /nfs/dbraw/zinc/68/20/49/599682049.db2.gz AYSLFRTUOPXMGX-KUHUBIRLSA-N -1 3 376.464 3.127 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)n1 ZINC000820097726 599683668 /nfs/dbraw/zinc/68/36/68/599683668.db2.gz SOTITAFCLXLASE-OAHLLOKOSA-N -1 3 399.499 3.394 20 0 GGADHM CC(C)CO[C@H](C)c1noc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)n1 ZINC000820097726 599683669 /nfs/dbraw/zinc/68/36/69/599683669.db2.gz SOTITAFCLXLASE-OAHLLOKOSA-N -1 3 399.499 3.394 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)CCOc1ccccc1 ZINC000820288455 599684191 /nfs/dbraw/zinc/68/41/91/599684191.db2.gz VOYUHFAHNLRIPJ-JKSUJKDBSA-N -1 3 396.447 3.282 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)CCOc1ccccc1 ZINC000820288455 599684192 /nfs/dbraw/zinc/68/41/92/599684192.db2.gz VOYUHFAHNLRIPJ-JKSUJKDBSA-N -1 3 396.447 3.282 20 0 GGADHM CC(C)C[C@H](CCO)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820055231 599686346 /nfs/dbraw/zinc/68/63/46/599686346.db2.gz GDRFVCFQMSAKKJ-NSHDSACASA-N -1 3 376.411 3.150 20 0 GGADHM CC(C)C[C@H](CCO)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820055231 599686347 /nfs/dbraw/zinc/68/63/47/599686347.db2.gz GDRFVCFQMSAKKJ-NSHDSACASA-N -1 3 376.411 3.150 20 0 GGADHM CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nn[n-]n4)cc3F)ccc2NC1=O ZINC000821001140 599689295 /nfs/dbraw/zinc/68/92/95/599689295.db2.gz PABKSHCJKONVHU-HWPZZCPQSA-N -1 3 382.399 3.288 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820247830 599689474 /nfs/dbraw/zinc/68/94/74/599689474.db2.gz AXKCZQKGLKCCBQ-CQSZACIVSA-N -1 3 382.468 3.467 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820247830 599689475 /nfs/dbraw/zinc/68/94/75/599689475.db2.gz AXKCZQKGLKCCBQ-CQSZACIVSA-N -1 3 382.468 3.467 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc([C@@H](C)OCC(C)C)no2)n1 ZINC000822192949 599690172 /nfs/dbraw/zinc/69/01/72/599690172.db2.gz GQGZRDFMMWPFJO-GFCCVEGCSA-N -1 3 389.485 3.287 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nc([C@@H](C)OCC(C)C)no2)n1 ZINC000822192949 599690173 /nfs/dbraw/zinc/69/01/73/599690173.db2.gz GQGZRDFMMWPFJO-GFCCVEGCSA-N -1 3 389.485 3.287 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c2c1 ZINC000822274783 599694980 /nfs/dbraw/zinc/69/49/80/599694980.db2.gz JCBLMUZLTMEAIR-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM Cc1ccc2[nH]cc(CCC(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c2c1 ZINC000822274783 599694981 /nfs/dbraw/zinc/69/49/81/599694981.db2.gz JCBLMUZLTMEAIR-UHFFFAOYSA-N -1 3 379.395 3.472 20 0 GGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000365724883 599695418 /nfs/dbraw/zinc/69/54/18/599695418.db2.gz ORQKWCHURKLXFQ-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000365724883 599695419 /nfs/dbraw/zinc/69/54/19/599695419.db2.gz ORQKWCHURKLXFQ-UHFFFAOYSA-N -1 3 395.810 3.141 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccnc1 ZINC000819865456 599697216 /nfs/dbraw/zinc/69/72/16/599697216.db2.gz FZZBLRLMIZPCGA-CYBMUJFWSA-N -1 3 387.403 3.191 20 0 GGADHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000822912136 599697415 /nfs/dbraw/zinc/69/74/15/599697415.db2.gz NSHGGKDFYCVNBP-FICVDOATSA-N -1 3 379.386 3.194 20 0 GGADHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000822912136 599697416 /nfs/dbraw/zinc/69/74/16/599697416.db2.gz NSHGGKDFYCVNBP-FICVDOATSA-N -1 3 379.386 3.194 20 0 GGADHM O=C(CC1(O)CCCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822935890 599698064 /nfs/dbraw/zinc/69/80/64/599698064.db2.gz PCLIUSPXECNFOC-UHFFFAOYSA-N -1 3 379.420 3.293 20 0 GGADHM O=C(CC1(O)CCCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822935890 599698065 /nfs/dbraw/zinc/69/80/65/599698065.db2.gz PCLIUSPXECNFOC-UHFFFAOYSA-N -1 3 379.420 3.293 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1=CCCCO1 ZINC000823350249 599700458 /nfs/dbraw/zinc/70/04/58/599700458.db2.gz GEHJMCKNICGEGO-UHFFFAOYSA-N -1 3 377.404 3.079 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1=CCCCO1 ZINC000823350249 599700459 /nfs/dbraw/zinc/70/04/59/599700459.db2.gz GEHJMCKNICGEGO-UHFFFAOYSA-N -1 3 377.404 3.079 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1nc(-c2cccs2)no1 ZINC000826251429 607387689 /nfs/dbraw/zinc/38/76/89/607387689.db2.gz PIBRURVAQDBUBL-JTQLQIEISA-N -1 3 382.405 3.205 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1nc(-c2cccs2)no1 ZINC000826251429 607387690 /nfs/dbraw/zinc/38/76/90/607387690.db2.gz PIBRURVAQDBUBL-JTQLQIEISA-N -1 3 382.405 3.205 20 0 GGADHM CCCC[C@@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000736980403 599706448 /nfs/dbraw/zinc/70/64/48/599706448.db2.gz UIBCMXQOYBJDGL-WMZOPIPTSA-N -1 3 386.496 3.367 20 0 GGADHM CCCC[C@@H](C(=O)[O-])N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000736980393 599706789 /nfs/dbraw/zinc/70/67/89/599706789.db2.gz UIBCMXQOYBJDGL-AEFFLSMTSA-N -1 3 386.496 3.367 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000826251721 607388349 /nfs/dbraw/zinc/38/83/49/607388349.db2.gz YPRCLORMULDBQL-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000826251721 607388351 /nfs/dbraw/zinc/38/83/51/607388351.db2.gz YPRCLORMULDBQL-NSHDSACASA-N -1 3 385.811 3.013 20 0 GGADHM Cc1ccc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)s1 ZINC000738514993 599714430 /nfs/dbraw/zinc/71/44/30/599714430.db2.gz MIGDXUWNNUQCPU-QGZVFWFLSA-N -1 3 376.453 3.216 20 0 GGADHM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CNC(C)(C)c1ccccc1 ZINC000737505772 599715583 /nfs/dbraw/zinc/71/55/83/599715583.db2.gz PLBRLRHAJLFNPJ-LJQANCHMSA-N -1 3 379.460 3.246 20 0 GGADHM CN(CCC1CCCCC1)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000737415851 599720260 /nfs/dbraw/zinc/72/02/60/599720260.db2.gz UDZWCWZLLRJMAI-FQEVSTJZSA-N -1 3 385.508 3.182 20 0 GGADHM CCN(CC)[C@H](CNC(=O)C(C)(C)NC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000737086091 599741050 /nfs/dbraw/zinc/74/10/50/599741050.db2.gz USRNWOWUFBYPTL-CQSZACIVSA-N -1 3 389.418 3.251 20 0 GGADHM CCCN(C(=O)CCCN(C)C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000737009088 599748287 /nfs/dbraw/zinc/74/82/87/599748287.db2.gz NRKOGCZTMPDXIP-IBGZPJMESA-N -1 3 375.513 3.280 20 0 GGADHM CC(C)c1ccc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cn1 ZINC000820187590 607391819 /nfs/dbraw/zinc/39/18/19/607391819.db2.gz IPAMIUPBCAXPEO-UHFFFAOYSA-N -1 3 382.493 3.048 20 0 GGADHM CC(C)c1ccc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cn1 ZINC000820187590 607391822 /nfs/dbraw/zinc/39/18/22/607391822.db2.gz IPAMIUPBCAXPEO-UHFFFAOYSA-N -1 3 382.493 3.048 20 0 GGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000739519183 599772398 /nfs/dbraw/zinc/77/23/98/599772398.db2.gz WMKHQWDJRPCLET-KRWDZBQOSA-N -1 3 382.395 3.276 20 0 GGADHM O=C([O-])c1ccc(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000666530280 599780023 /nfs/dbraw/zinc/78/00/23/599780023.db2.gz KRPOCDUNQJVFDM-FQEVSTJZSA-N -1 3 381.476 3.411 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCCO1 ZINC000822206074 607393588 /nfs/dbraw/zinc/39/35/88/607393588.db2.gz TUDCCWPUONIQFN-LJQANCHMSA-N -1 3 395.438 3.417 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCCO1 ZINC000822206074 607393590 /nfs/dbraw/zinc/39/35/90/607393590.db2.gz TUDCCWPUONIQFN-LJQANCHMSA-N -1 3 395.438 3.417 20 0 GGADHM O=C(Nc1cccc(OCCF)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826457027 607395331 /nfs/dbraw/zinc/39/53/31/607395331.db2.gz JFKNUTJHNKTADB-UHFFFAOYSA-N -1 3 382.399 3.026 20 0 GGADHM O=C(Nc1cccc(OCCF)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826457027 607395332 /nfs/dbraw/zinc/39/53/32/607395332.db2.gz JFKNUTJHNKTADB-UHFFFAOYSA-N -1 3 382.399 3.026 20 0 GGADHM COc1ccc(CCC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1F ZINC000821789920 607397808 /nfs/dbraw/zinc/39/78/08/607397808.db2.gz BZXODIDVNFNYSY-UHFFFAOYSA-N -1 3 399.426 3.373 20 0 GGADHM COc1ccc(CCC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1F ZINC000821789920 607397810 /nfs/dbraw/zinc/39/78/10/607397810.db2.gz BZXODIDVNFNYSY-UHFFFAOYSA-N -1 3 399.426 3.373 20 0 GGADHM COc1ccc(SCC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821846755 607397995 /nfs/dbraw/zinc/39/79/95/607397995.db2.gz ZOMLTKGSQYVYHP-UHFFFAOYSA-N -1 3 399.476 3.393 20 0 GGADHM COc1ccc(SCC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821846755 607397996 /nfs/dbraw/zinc/39/79/96/607397996.db2.gz ZOMLTKGSQYVYHP-UHFFFAOYSA-N -1 3 399.476 3.393 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000738599311 599828594 /nfs/dbraw/zinc/82/85/94/599828594.db2.gz RTCMUMFMSBUGLF-UHFFFAOYSA-N -1 3 381.476 3.274 20 0 GGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC000820164711 607398386 /nfs/dbraw/zinc/39/83/86/607398386.db2.gz KTXAOGDIHOIUFA-UHFFFAOYSA-N -1 3 388.431 3.383 20 0 GGADHM CC(C)Oc1ccc(NC(=O)Cc2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC000820164711 607398388 /nfs/dbraw/zinc/39/83/88/607398388.db2.gz KTXAOGDIHOIUFA-UHFFFAOYSA-N -1 3 388.431 3.383 20 0 GGADHM COc1cccc([C@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821858023 607399526 /nfs/dbraw/zinc/39/95/26/607399526.db2.gz CIECOHGKTRYNAG-ZDUSSCGKSA-N -1 3 381.436 3.405 20 0 GGADHM COc1cccc([C@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821858023 607399528 /nfs/dbraw/zinc/39/95/28/607399528.db2.gz CIECOHGKTRYNAG-ZDUSSCGKSA-N -1 3 381.436 3.405 20 0 GGADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000822259201 607399728 /nfs/dbraw/zinc/39/97/28/607399728.db2.gz PDLSNCSJIPXFMH-CQSZACIVSA-N -1 3 381.436 3.368 20 0 GGADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000822259201 607399730 /nfs/dbraw/zinc/39/97/30/607399730.db2.gz PDLSNCSJIPXFMH-CQSZACIVSA-N -1 3 381.436 3.368 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000736714825 599841761 /nfs/dbraw/zinc/84/17/61/599841761.db2.gz JAIJBEQNIGWHCI-GFCCVEGCSA-N -1 3 386.404 3.118 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1-c1nnn[n-]1 ZINC000820161353 607401891 /nfs/dbraw/zinc/40/18/91/607401891.db2.gz WEVQWVNNGBWQBF-OAHLLOKOSA-N -1 3 381.461 3.482 20 0 GGADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1-c1nn[n-]n1 ZINC000820161353 607401893 /nfs/dbraw/zinc/40/18/93/607401893.db2.gz WEVQWVNNGBWQBF-OAHLLOKOSA-N -1 3 381.461 3.482 20 0 GGADHM C[C@H](CN1CCOCC1)N(Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736586576 599855801 /nfs/dbraw/zinc/85/58/01/599855801.db2.gz NZPKXPPZLRYGND-QGZVFWFLSA-N -1 3 386.467 3.247 20 0 GGADHM CC(C)Oc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1-c1nnn[n-]1 ZINC000820166279 607402001 /nfs/dbraw/zinc/40/20/01/607402001.db2.gz VIDCCBAHPDMCRN-UHFFFAOYSA-N -1 3 376.420 3.316 20 0 GGADHM CC(C)Oc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1-c1nn[n-]n1 ZINC000820166279 607402002 /nfs/dbraw/zinc/40/20/02/607402002.db2.gz VIDCCBAHPDMCRN-UHFFFAOYSA-N -1 3 376.420 3.316 20 0 GGADHM Cc1cc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc(C)c1OCC(=O)[O-] ZINC000738390266 599881168 /nfs/dbraw/zinc/88/11/68/599881168.db2.gz WNGIOUHJDSWYJH-HNNXBMFYSA-N -1 3 382.460 3.137 20 0 GGADHM Cc1sc(NC(=O)N(CCN(C)C)Cc2ccccn2)c(C(=O)[O-])c1C ZINC000738997475 599881352 /nfs/dbraw/zinc/88/13/52/599881352.db2.gz OYBRJZYEWIBARE-UHFFFAOYSA-N -1 3 376.482 3.054 20 0 GGADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822328511 607404320 /nfs/dbraw/zinc/40/43/20/607404320.db2.gz RETSWKIJHMOJMH-VQTJNVASSA-N -1 3 391.475 3.224 20 0 GGADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822328511 607404321 /nfs/dbraw/zinc/40/43/21/607404321.db2.gz RETSWKIJHMOJMH-VQTJNVASSA-N -1 3 391.475 3.224 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000826254547 607410139 /nfs/dbraw/zinc/41/01/39/607410139.db2.gz QLHVXTVNVRSQSQ-UHFFFAOYSA-N -1 3 394.435 3.062 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000826254547 607410140 /nfs/dbraw/zinc/41/01/40/607410140.db2.gz QLHVXTVNVRSQSQ-UHFFFAOYSA-N -1 3 394.435 3.062 20 0 GGADHM C[C@H](CN(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579241 599950273 /nfs/dbraw/zinc/95/02/73/599950273.db2.gz RWGNMSWXNDQEGB-YJYMSZOUSA-N -1 3 390.480 3.278 20 0 GGADHM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000739660284 599952096 /nfs/dbraw/zinc/95/20/96/599952096.db2.gz WOZXRBHKVWLGSV-WOJBJXKFSA-N -1 3 381.476 3.016 20 0 GGADHM Cc1cccc(CN(CCN(C)C)C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000738708136 599952185 /nfs/dbraw/zinc/95/21/85/599952185.db2.gz HYLRJLZGPCKSFI-UHFFFAOYSA-N -1 3 393.487 3.238 20 0 GGADHM COc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1OC(F)F ZINC000826214180 607409241 /nfs/dbraw/zinc/40/92/41/607409241.db2.gz CTISIENLLOLRHG-UHFFFAOYSA-N -1 3 390.346 3.142 20 0 GGADHM COc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1OC(F)F ZINC000826214180 607409242 /nfs/dbraw/zinc/40/92/42/607409242.db2.gz CTISIENLLOLRHG-UHFFFAOYSA-N -1 3 390.346 3.142 20 0 GGADHM CC[C@H]1CN(CCn2cccn2)CCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942903 599968376 /nfs/dbraw/zinc/96/83/76/599968376.db2.gz GIPZBHPVHUPYEE-INIZCTEOSA-N -1 3 398.532 3.392 20 0 GGADHM CC[C@@H]1CN(CCn2cccn2)CCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942904 599968507 /nfs/dbraw/zinc/96/85/07/599968507.db2.gz GIPZBHPVHUPYEE-MRXNPFEDSA-N -1 3 398.532 3.392 20 0 GGADHM CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284364 599976124 /nfs/dbraw/zinc/97/61/24/599976124.db2.gz HXVRTKXFRHVVNW-WBVHZDCISA-N -1 3 384.480 3.116 20 0 GGADHM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cnn1Cc1ccccc1 ZINC000826254714 607410289 /nfs/dbraw/zinc/41/02/89/607410289.db2.gz XVFDEEFBPDVOFP-UHFFFAOYSA-N -1 3 388.431 3.085 20 0 GGADHM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cnn1Cc1ccccc1 ZINC000826254714 607410290 /nfs/dbraw/zinc/41/02/90/607410290.db2.gz XVFDEEFBPDVOFP-UHFFFAOYSA-N -1 3 388.431 3.085 20 0 GGADHM COc1ccccc1[C@H]1CCCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127473 599992900 /nfs/dbraw/zinc/99/29/00/599992900.db2.gz KMNUJKAFPOLPFH-YLJYHZDGSA-N -1 3 385.460 3.360 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)N(C)C)cc1 ZINC000737259815 600013267 /nfs/dbraw/zinc/01/32/67/600013267.db2.gz YKBQENIFJMXDAT-HXUWFJFHSA-N -1 3 381.476 3.275 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(OC)c1 ZINC000263023857 600013671 /nfs/dbraw/zinc/01/36/71/600013671.db2.gz OSYVSCOPQPOGDW-KVWWFHCMSA-N -1 3 391.512 3.021 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1csc(Br)c1 ZINC000821749512 607412912 /nfs/dbraw/zinc/41/29/12/607412912.db2.gz PUEMEQOMZAQZEC-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1csc(Br)c1 ZINC000821749512 607412913 /nfs/dbraw/zinc/41/29/13/607412913.db2.gz PUEMEQOMZAQZEC-UHFFFAOYSA-N -1 3 395.238 3.056 20 0 GGADHM CCCc1c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)[nH]c(C)c1C(C)=O ZINC000821139398 607412936 /nfs/dbraw/zinc/41/29/36/607412936.db2.gz XNBIMMWWLNBLKV-UHFFFAOYSA-N -1 3 397.435 3.024 20 0 GGADHM CCCc1c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)[nH]c(C)c1C(C)=O ZINC000821139398 607412937 /nfs/dbraw/zinc/41/29/37/607412937.db2.gz XNBIMMWWLNBLKV-UHFFFAOYSA-N -1 3 397.435 3.024 20 0 GGADHM CC[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000736903968 600015851 /nfs/dbraw/zinc/01/58/51/600015851.db2.gz DSALXOOHPGUYKS-OAQYLSRUSA-N -1 3 393.487 3.247 20 0 GGADHM CC(C)(CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000736322284 600016896 /nfs/dbraw/zinc/01/68/96/600016896.db2.gz UYLLZUCMDMDJFL-UHFFFAOYSA-N -1 3 393.487 3.247 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722303 600018706 /nfs/dbraw/zinc/01/87/06/600018706.db2.gz BUNXSLXPJYJLCQ-QRWLVFNGSA-N -1 3 379.460 3.246 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2ccccc2c(Cl)n1 ZINC000821745194 607414033 /nfs/dbraw/zinc/41/40/33/607414033.db2.gz JJWNDVMNRLFTGT-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)c(C)c2)CC1 ZINC000737122387 600035102 /nfs/dbraw/zinc/03/51/02/600035102.db2.gz JHKYXSBFUUECFQ-UHFFFAOYSA-N -1 3 395.503 3.406 20 0 GGADHM CC[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000236954705 600038361 /nfs/dbraw/zinc/03/83/61/600038361.db2.gz RGCIUYUZTUICNO-OAQYLSRUSA-N -1 3 380.488 3.271 20 0 GGADHM CC[C@@H](NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(C)cc1 ZINC000736915831 600045549 /nfs/dbraw/zinc/04/55/49/600045549.db2.gz FNTSDGZLNYAKGK-TZIWHRDSSA-N -1 3 393.487 3.329 20 0 GGADHM CC[C@@H](NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(C)cc1 ZINC000736915827 600045593 /nfs/dbraw/zinc/04/55/93/600045593.db2.gz FNTSDGZLNYAKGK-CTNGQTDRSA-N -1 3 393.487 3.329 20 0 GGADHM COc1ccc(CCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826191911 607416996 /nfs/dbraw/zinc/41/69/96/607416996.db2.gz UFHMFZXAYAGYPL-UHFFFAOYSA-N -1 3 377.448 3.004 20 0 GGADHM COc1ccc(CCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826191911 607416997 /nfs/dbraw/zinc/41/69/97/607416997.db2.gz UFHMFZXAYAGYPL-UHFFFAOYSA-N -1 3 377.448 3.004 20 0 GGADHM Cc1cccc(C[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C(=O)[O-])c1 ZINC000738711162 600070569 /nfs/dbraw/zinc/07/05/69/600070569.db2.gz JCPOPJKSKAAYNS-NRFANRHFSA-N -1 3 380.488 3.264 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(-c2ccco2)nc1C ZINC000821745375 607417507 /nfs/dbraw/zinc/41/75/07/607417507.db2.gz SPEUZPSIUBDVET-UHFFFAOYSA-N -1 3 391.387 3.196 20 0 GGADHM COc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c(C(=O)[O-])c1 ZINC000738027469 600071986 /nfs/dbraw/zinc/07/19/86/600071986.db2.gz XIBKNHUPLHUSPV-HNNXBMFYSA-N -1 3 386.423 3.383 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000821736071 607417580 /nfs/dbraw/zinc/41/75/80/607417580.db2.gz AADSHLNBDYDJET-UONOGXRCSA-N -1 3 386.358 3.000 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000821736071 607417582 /nfs/dbraw/zinc/41/75/82/607417582.db2.gz AADSHLNBDYDJET-UONOGXRCSA-N -1 3 386.358 3.000 20 0 GGADHM O=C([O-])c1occc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739408156 600077795 /nfs/dbraw/zinc/07/77/95/600077795.db2.gz VXQLIDNTLDRNMM-CYBMUJFWSA-N -1 3 375.400 3.151 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)o1 ZINC000739407087 600078029 /nfs/dbraw/zinc/07/80/29/600078029.db2.gz NNUWDEVJFYIAIK-ZDUSSCGKSA-N -1 3 375.400 3.151 20 0 GGADHM Cc1cc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000738382439 600078110 /nfs/dbraw/zinc/07/81/10/600078110.db2.gz IBLKFKHTIMUZHK-AWEZNQCLSA-N -1 3 389.427 3.459 20 0 GGADHM O=C(Cc1csc2ccccc12)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826423785 607418297 /nfs/dbraw/zinc/41/82/97/607418297.db2.gz GNKNCQJRFSQBMU-UHFFFAOYSA-N -1 3 375.457 3.429 20 0 GGADHM O=C(Cc1csc2ccccc12)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826423785 607418299 /nfs/dbraw/zinc/41/82/99/607418299.db2.gz GNKNCQJRFSQBMU-UHFFFAOYSA-N -1 3 375.457 3.429 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1SCCc2ccccc21 ZINC000826428044 607418349 /nfs/dbraw/zinc/41/83/49/607418349.db2.gz MMSLJGATGGIYDP-QGZVFWFLSA-N -1 3 377.473 3.003 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1SCCc2ccccc21 ZINC000826428044 607418351 /nfs/dbraw/zinc/41/83/51/607418351.db2.gz MMSLJGATGGIYDP-QGZVFWFLSA-N -1 3 377.473 3.003 20 0 GGADHM Cc1ccnc(NC[C@H]2CCN([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)c1 ZINC000738797503 600094767 /nfs/dbraw/zinc/09/47/67/600094767.db2.gz ASBACQYTBHPHRS-IAGOWNOFSA-N -1 3 396.491 3.158 20 0 GGADHM Cc1cccc(CSCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826298584 607419790 /nfs/dbraw/zinc/41/97/90/607419790.db2.gz ZYCLHSVVRJKHNH-UHFFFAOYSA-N -1 3 379.489 3.214 20 0 GGADHM Cc1cccc(CSCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826298584 607419791 /nfs/dbraw/zinc/41/97/91/607419791.db2.gz ZYCLHSVVRJKHNH-UHFFFAOYSA-N -1 3 379.489 3.214 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)c(F)cc1Cl ZINC000826428018 607419968 /nfs/dbraw/zinc/41/99/68/607419968.db2.gz LNMCLSQHCIJNJO-UHFFFAOYSA-N -1 3 375.766 3.217 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)c(F)cc1Cl ZINC000826428018 607419970 /nfs/dbraw/zinc/41/99/70/607419970.db2.gz LNMCLSQHCIJNJO-UHFFFAOYSA-N -1 3 375.766 3.217 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1cn(C)c2ccccc12 ZINC000821741702 607420309 /nfs/dbraw/zinc/42/03/09/607420309.db2.gz QKAUJQMTVDIRFW-UHFFFAOYSA-N -1 3 391.431 3.043 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1cn(C)c2ccccc12 ZINC000821741702 607420310 /nfs/dbraw/zinc/42/03/10/607420310.db2.gz QKAUJQMTVDIRFW-UHFFFAOYSA-N -1 3 391.431 3.043 20 0 GGADHM CC(C)[C@H](NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736389636 600117792 /nfs/dbraw/zinc/11/77/92/600117792.db2.gz KGJCOOJTWSEDBY-IRLDBZIGSA-N -1 3 393.487 3.267 20 0 GGADHM CC(C)[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000736390960 600119149 /nfs/dbraw/zinc/11/91/49/600119149.db2.gz XXMOUSSAVSGZSZ-CTNGQTDRSA-N -1 3 384.451 3.151 20 0 GGADHM O=C(CCCOc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826406414 607423144 /nfs/dbraw/zinc/42/31/44/607423144.db2.gz WBURWFNEAVGKRL-UHFFFAOYSA-N -1 3 397.866 3.485 20 0 GGADHM O=C(CCCOc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826406414 607423145 /nfs/dbraw/zinc/42/31/45/607423145.db2.gz WBURWFNEAVGKRL-UHFFFAOYSA-N -1 3 397.866 3.485 20 0 GGADHM CO[C@H](CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821676989 607424973 /nfs/dbraw/zinc/42/49/73/607424973.db2.gz LNITYBBPYZJBFM-GOSISDBHSA-N -1 3 396.451 3.163 20 0 GGADHM CO[C@H](CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821676989 607424974 /nfs/dbraw/zinc/42/49/74/607424974.db2.gz LNITYBBPYZJBFM-GOSISDBHSA-N -1 3 396.451 3.163 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554812 600161394 /nfs/dbraw/zinc/16/13/94/600161394.db2.gz VAFJNBBTWUCTEC-TZIWHRDSSA-N -1 3 398.478 3.331 20 0 GGADHM Cc1ccc([C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554809 600161433 /nfs/dbraw/zinc/16/14/33/600161433.db2.gz VAFJNBBTWUCTEC-CTNGQTDRSA-N -1 3 398.478 3.331 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)cc(C(F)(F)F)c1 ZINC000826427987 607426584 /nfs/dbraw/zinc/42/65/84/607426584.db2.gz KLDMUAMAULOBFK-UHFFFAOYSA-N -1 3 391.328 3.444 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)cc(C(F)(F)F)c1 ZINC000826427987 607426586 /nfs/dbraw/zinc/42/65/86/607426586.db2.gz KLDMUAMAULOBFK-UHFFFAOYSA-N -1 3 391.328 3.444 20 0 GGADHM CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313527 600193636 /nfs/dbraw/zinc/19/36/36/600193636.db2.gz KTWBRBYHQBJMPX-AZUAARDMSA-N -1 3 384.451 3.322 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000820165987 607427445 /nfs/dbraw/zinc/42/74/45/607427445.db2.gz UGQSEPSCWZXTFB-WBVHZDCISA-N -1 3 378.436 3.332 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000820165987 607427447 /nfs/dbraw/zinc/42/74/47/607427447.db2.gz UGQSEPSCWZXTFB-WBVHZDCISA-N -1 3 378.436 3.332 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826262910 607427510 /nfs/dbraw/zinc/42/75/10/607427510.db2.gz CSGYEQUEBAAGRG-UHFFFAOYSA-N -1 3 391.475 3.366 20 0 GGADHM Cc1cc(C)c(C)c(OCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826262910 607427511 /nfs/dbraw/zinc/42/75/11/607427511.db2.gz CSGYEQUEBAAGRG-UHFFFAOYSA-N -1 3 391.475 3.366 20 0 GGADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826427920 607427558 /nfs/dbraw/zinc/42/75/58/607427558.db2.gz HFZKECXTHWGRLL-LSDHHAIUSA-N -1 3 381.386 3.054 20 0 GGADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826427920 607427559 /nfs/dbraw/zinc/42/75/59/607427559.db2.gz HFZKECXTHWGRLL-LSDHHAIUSA-N -1 3 381.386 3.054 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1-c1nnn[n-]1 ZINC000820164140 607429179 /nfs/dbraw/zinc/42/91/79/607429179.db2.gz FDBYCPHRQYWOLF-QGZVFWFLSA-N -1 3 393.451 3.418 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1-c1nn[n-]n1 ZINC000820164140 607429180 /nfs/dbraw/zinc/42/91/80/607429180.db2.gz FDBYCPHRQYWOLF-QGZVFWFLSA-N -1 3 393.451 3.418 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCOCC12CCC2 ZINC000826474482 607429620 /nfs/dbraw/zinc/42/96/20/607429620.db2.gz RSDZCTORXPGYLK-UHFFFAOYSA-N -1 3 391.431 3.054 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCOCC12CCC2 ZINC000826474482 607429622 /nfs/dbraw/zinc/42/96/22/607429622.db2.gz RSDZCTORXPGYLK-UHFFFAOYSA-N -1 3 391.431 3.054 20 0 GGADHM CN(Cc1cccc(C(=O)[O-])c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000263454524 600231356 /nfs/dbraw/zinc/23/13/56/600231356.db2.gz GYTDTWDCXWSVHD-OAHLLOKOSA-N -1 3 383.366 3.275 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)cc1Br ZINC000826250023 607431045 /nfs/dbraw/zinc/43/10/45/607431045.db2.gz GOJDVARIRMIXIZ-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)cc1Br ZINC000826250023 607431046 /nfs/dbraw/zinc/43/10/46/607431046.db2.gz GOJDVARIRMIXIZ-UHFFFAOYSA-N -1 3 376.189 3.329 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)S[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000820166657 607431067 /nfs/dbraw/zinc/43/10/67/607431067.db2.gz YYWHMGODDVPRRZ-VXGBXAGGSA-N -1 3 376.486 3.012 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)S[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000820166657 607431069 /nfs/dbraw/zinc/43/10/69/607431069.db2.gz YYWHMGODDVPRRZ-VXGBXAGGSA-N -1 3 376.486 3.012 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccc(O)c2)cc1-c1nnn[n-]1 ZINC000820164190 607431883 /nfs/dbraw/zinc/43/18/83/607431883.db2.gz GTSRAROMJFQIDO-UHFFFAOYSA-N -1 3 382.424 3.023 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccc(O)c2)cc1-c1nn[n-]n1 ZINC000820164190 607431884 /nfs/dbraw/zinc/43/18/84/607431884.db2.gz GTSRAROMJFQIDO-UHFFFAOYSA-N -1 3 382.424 3.023 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000568061331 600262329 /nfs/dbraw/zinc/26/23/29/600262329.db2.gz CAYAVOQYHGHYRX-QAPCUYQASA-N -1 3 384.451 3.093 20 0 GGADHM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822520250 607434278 /nfs/dbraw/zinc/43/42/78/607434278.db2.gz VPUWGKUBIRQPRE-JTQLQIEISA-N -1 3 385.428 3.141 20 0 GGADHM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822520250 607434279 /nfs/dbraw/zinc/43/42/79/607434279.db2.gz VPUWGKUBIRQPRE-JTQLQIEISA-N -1 3 385.428 3.141 20 0 GGADHM CN(C)[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)Cc1ccccc1 ZINC000737360468 600282436 /nfs/dbraw/zinc/28/24/36/600282436.db2.gz YNSHYYMYCWPTMZ-QGZVFWFLSA-N -1 3 375.856 3.333 20 0 GGADHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc2ccccc2[nH]c1=O ZINC000736824085 600295250 /nfs/dbraw/zinc/29/52/50/600295250.db2.gz NGUFFRCAWHWYGL-OAHLLOKOSA-N -1 3 377.444 3.349 20 0 GGADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000736634475 600302744 /nfs/dbraw/zinc/30/27/44/600302744.db2.gz ZEHTWOUSOHABMQ-FTRWYGJKSA-N -1 3 384.520 3.318 20 0 GGADHM CN(Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000737477613 600305020 /nfs/dbraw/zinc/30/50/20/600305020.db2.gz IMCNAGXPLPJREB-GOSISDBHSA-N -1 3 382.464 3.042 20 0 GGADHM O=C([O-])c1ccccc1NC(=O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000738461627 600330925 /nfs/dbraw/zinc/33/09/25/600330925.db2.gz UQTNYCHHZCMKBC-UHFFFAOYSA-N -1 3 382.460 3.252 20 0 GGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000738712305 600335324 /nfs/dbraw/zinc/33/53/24/600335324.db2.gz BQKBFWDAMNDVEH-GFCCVEGCSA-N -1 3 376.453 3.325 20 0 GGADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCC2(CCCCC2)C1 ZINC000739286200 600338491 /nfs/dbraw/zinc/33/84/91/600338491.db2.gz QQTLUHOPSMLPOI-FQEVSTJZSA-N -1 3 397.519 3.326 20 0 GGADHM CN(Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000737483624 600343157 /nfs/dbraw/zinc/34/31/57/600343157.db2.gz RLBFCULAIHWASO-IBGZPJMESA-N -1 3 382.464 3.192 20 0 GGADHM CN(Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000737483626 600343375 /nfs/dbraw/zinc/34/33/75/600343375.db2.gz RLBFCULAIHWASO-LJQANCHMSA-N -1 3 382.464 3.192 20 0 GGADHM O=C([O-])NCc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000739988732 600350091 /nfs/dbraw/zinc/35/00/91/600350091.db2.gz VVSYGDIGNMZQHP-IBGZPJMESA-N -1 3 382.464 3.413 20 0 GGADHM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CC[NH+]2CCCC2)cc1 ZINC000738347393 600361152 /nfs/dbraw/zinc/36/11/52/600361152.db2.gz JTUSDDNBIINVEX-UHFFFAOYSA-N -1 3 388.489 3.132 20 0 GGADHM C[C@@H](CN(C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125827 600374160 /nfs/dbraw/zinc/37/41/60/600374160.db2.gz COZQVXMOKCKQFE-QFBILLFUSA-N -1 3 393.487 3.069 20 0 GGADHM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)N(C)Cc1ccccc1 ZINC000390516675 600379891 /nfs/dbraw/zinc/37/98/91/600379891.db2.gz DGBZIINEEWCTPE-GFCCVEGCSA-N -1 3 377.391 3.305 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000736904227 600382075 /nfs/dbraw/zinc/38/20/75/600382075.db2.gz HREKKQZGARDVIS-QGZVFWFLSA-N -1 3 385.439 3.482 20 0 GGADHM CC[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000736904226 600382220 /nfs/dbraw/zinc/38/22/20/600382220.db2.gz HREKKQZGARDVIS-KRWDZBQOSA-N -1 3 385.439 3.482 20 0 GGADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2)CC1 ZINC000737115093 600387631 /nfs/dbraw/zinc/38/76/31/600387631.db2.gz IQXHFWSAJJEQIO-UHFFFAOYSA-N -1 3 387.867 3.432 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263579227 600392637 /nfs/dbraw/zinc/39/26/37/600392637.db2.gz UILMWKUTYWFSCL-INIZCTEOSA-N -1 3 383.366 3.275 20 0 GGADHM O=C([O-])c1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)c(F)c1 ZINC000739404381 600394924 /nfs/dbraw/zinc/39/49/24/600394924.db2.gz LYNDRBPATPBHEW-UHFFFAOYSA-N -1 3 381.473 3.007 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000820170177 607440891 /nfs/dbraw/zinc/44/08/91/607440891.db2.gz SVWWUSGAZZWWDN-UHFFFAOYSA-N -1 3 389.419 3.296 20 0 GGADHM CC(C)Oc1ccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000820170177 607440892 /nfs/dbraw/zinc/44/08/92/607440892.db2.gz SVWWUSGAZZWWDN-UHFFFAOYSA-N -1 3 389.419 3.296 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737370374 600397513 /nfs/dbraw/zinc/39/75/13/600397513.db2.gz PPVYNYOZMUWOHT-UHFFFAOYSA-N -1 3 377.391 3.259 20 0 GGADHM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1)N1CCCCCC1 ZINC000736212184 600405394 /nfs/dbraw/zinc/40/53/94/600405394.db2.gz QXOANKMFWFAEAH-CJNGLKHVSA-N -1 3 397.313 3.346 20 0 GGADHM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)N1CCCCCC1 ZINC000736212186 600405421 /nfs/dbraw/zinc/40/54/21/600405421.db2.gz QXOANKMFWFAEAH-XJKSGUPXSA-N -1 3 397.313 3.346 20 0 GGADHM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736211346 600409463 /nfs/dbraw/zinc/40/94/63/600409463.db2.gz KAZJYGZOWHSYGL-UGSOOPFHSA-N -1 3 397.313 3.130 20 0 GGADHM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)N1CCCCCC1 ZINC000736211340 600409519 /nfs/dbraw/zinc/40/95/19/600409519.db2.gz KAZJYGZOWHSYGL-ACJLOTCBSA-N -1 3 397.313 3.130 20 0 GGADHM C[C@](CO)(NCCOc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000736606515 600410785 /nfs/dbraw/zinc/41/07/85/600410785.db2.gz GIUVTBDZMLIYDN-GOSISDBHSA-N -1 3 383.366 3.280 20 0 GGADHM O=C([O-])[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(F)cc1 ZINC000739468668 600432504 /nfs/dbraw/zinc/43/25/04/600432504.db2.gz OZZQJKNFKBCCPZ-IBGZPJMESA-N -1 3 379.391 3.389 20 0 GGADHM Cc1[nH]c(C(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154907 600439079 /nfs/dbraw/zinc/43/90/79/600439079.db2.gz WHOVYZVIAJGEBH-DNVCBOLYSA-N -1 3 397.519 3.497 20 0 GGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000736713762 600441926 /nfs/dbraw/zinc/44/19/26/600441926.db2.gz CQSPUNFXZYJNIU-DGCLKSJQSA-N -1 3 387.354 3.429 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000736466223 600445452 /nfs/dbraw/zinc/44/54/52/600445452.db2.gz SJMDKWUPQIBBEG-NRFANRHFSA-N -1 3 386.517 3.407 20 0 GGADHM COc1ccc([C@@H]2CCCCCN2C(=O)CN(CCC(=O)[O-])C(C)C)cc1 ZINC000737980173 600445460 /nfs/dbraw/zinc/44/54/60/600445460.db2.gz AQGDUJPTZKMVKK-IBGZPJMESA-N -1 3 376.497 3.324 20 0 GGADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000736465890 600445977 /nfs/dbraw/zinc/44/59/77/600445977.db2.gz NGRZAMFFTSQIIX-UHFFFAOYSA-N -1 3 389.477 3.124 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCc1ccccn1 ZINC000820087145 607444651 /nfs/dbraw/zinc/44/46/51/607444651.db2.gz LZICCDCPBRLDQJ-UHFFFAOYSA-N -1 3 393.495 3.062 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCc1ccccn1 ZINC000820087145 607444652 /nfs/dbraw/zinc/44/46/52/607444652.db2.gz LZICCDCPBRLDQJ-UHFFFAOYSA-N -1 3 393.495 3.062 20 0 GGADHM CC(=O)c1ccc(OCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000824029705 607444686 /nfs/dbraw/zinc/44/46/86/607444686.db2.gz PUWNEOLDUQVAFI-UHFFFAOYSA-N -1 3 394.431 3.280 20 0 GGADHM CC(=O)c1ccc(OCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000824029705 607444688 /nfs/dbraw/zinc/44/46/88/607444688.db2.gz PUWNEOLDUQVAFI-UHFFFAOYSA-N -1 3 394.431 3.280 20 0 GGADHM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000740017560 600456676 /nfs/dbraw/zinc/45/66/76/600456676.db2.gz KJRNRMHGIFHLRX-FQEVSTJZSA-N -1 3 396.491 3.455 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000738760321 600470542 /nfs/dbraw/zinc/47/05/42/600470542.db2.gz ILBPWKKHMXGZSX-UCNVEGJOSA-N -1 3 392.499 3.211 20 0 GGADHM CSc1cccc(N(C(=O)CCCN(C)C(=O)[O-])C2CCN(C)CC2)c1 ZINC000738213274 600480068 /nfs/dbraw/zinc/48/00/68/600480068.db2.gz APKKBGIAJQREHE-UHFFFAOYSA-N -1 3 379.526 3.226 20 0 GGADHM CC[C@H](CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000825120753 607446864 /nfs/dbraw/zinc/44/68/64/607446864.db2.gz MOSZKPLHVXMCNY-OAHLLOKOSA-N -1 3 376.464 3.349 20 0 GGADHM CC[C@H](CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000825120753 607446866 /nfs/dbraw/zinc/44/68/66/607446866.db2.gz MOSZKPLHVXMCNY-OAHLLOKOSA-N -1 3 376.464 3.349 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000826188422 607446918 /nfs/dbraw/zinc/44/69/18/607446918.db2.gz WXDJGOAFWNCCEX-GFCCVEGCSA-N -1 3 396.426 3.064 20 0 GGADHM COc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000826188422 607446919 /nfs/dbraw/zinc/44/69/19/607446919.db2.gz WXDJGOAFWNCCEX-GFCCVEGCSA-N -1 3 396.426 3.064 20 0 GGADHM COc1ccc(C)cc1[C@@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826189980 607447006 /nfs/dbraw/zinc/44/70/06/607447006.db2.gz LMRQYNIIRLDWRV-CQSZACIVSA-N -1 3 392.463 3.233 20 0 GGADHM COc1ccc(C)cc1[C@@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826189980 607447008 /nfs/dbraw/zinc/44/70/08/607447008.db2.gz LMRQYNIIRLDWRV-CQSZACIVSA-N -1 3 392.463 3.233 20 0 GGADHM C[C@@H]1SCCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])[C@@H]1c1ccccc1 ZINC000736838781 600490533 /nfs/dbraw/zinc/49/05/33/600490533.db2.gz UETQTNVGQVBMDM-JVLAZRQJSA-N -1 3 392.546 3.057 20 0 GGADHM CCCc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737039578 600498070 /nfs/dbraw/zinc/49/80/70/600498070.db2.gz FHXAPBSSXMFAAX-QGZVFWFLSA-N -1 3 383.492 3.368 20 0 GGADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1n[nH]c2c1cccc2Cl ZINC000823066055 607450034 /nfs/dbraw/zinc/45/00/34/607450034.db2.gz KQQZWTWMHMXQDG-UHFFFAOYSA-N -1 3 385.840 3.127 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736660775 600521621 /nfs/dbraw/zinc/52/16/21/600521621.db2.gz BTYGPELQMVLKLI-STQMWFEESA-N -1 3 392.402 3.342 20 0 GGADHM CC1CCN([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)c2cccs2)CC1 ZINC000736798553 600527030 /nfs/dbraw/zinc/52/70/30/600527030.db2.gz ZCVOPBXUMONPEI-HNNXBMFYSA-N -1 3 391.493 3.312 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000737470142 600534559 /nfs/dbraw/zinc/53/45/59/600534559.db2.gz DVNVZSXLRKCZHJ-HXUWFJFHSA-N -1 3 381.476 3.191 20 0 GGADHM O=C([O-])CCc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000739760368 600544458 /nfs/dbraw/zinc/54/44/58/600544458.db2.gz PBOMTRTVHVVDEM-FQEVSTJZSA-N -1 3 381.476 3.490 20 0 GGADHM CC(C)[C@H](c1ccccc1)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736392197 600545727 /nfs/dbraw/zinc/54/57/27/600545727.db2.gz TZGVIUAPCNVYBE-IFMALSPDSA-N -1 3 380.488 3.354 20 0 GGADHM CCCC[C@@H](C(=O)[O-])N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000736979981 600546288 /nfs/dbraw/zinc/54/62/88/600546288.db2.gz ROPYIODVYGGTEJ-KGLIPLIRSA-N -1 3 378.498 3.120 20 0 GGADHM CCCC[C@@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000736979976 600546518 /nfs/dbraw/zinc/54/65/18/600546518.db2.gz ROPYIODVYGGTEJ-KBPBESRZSA-N -1 3 378.498 3.120 20 0 GGADHM O=C([O-])c1ccc(CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000739430598 600559552 /nfs/dbraw/zinc/55/95/52/600559552.db2.gz RYBMHSFKUJFVRD-OAQYLSRUSA-N -1 3 395.503 3.454 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@H](C)[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547714 607454773 /nfs/dbraw/zinc/45/47/73/607454773.db2.gz BVYARLAIOMAIJY-VOJFVSQTSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1oc(NC(=O)CN2CC[C@H](C)[C@H]2c2cccc(F)c2)c(-c2nn[n-]n2)c1C ZINC000822547714 607454774 /nfs/dbraw/zinc/45/47/74/607454774.db2.gz BVYARLAIOMAIJY-VOJFVSQTSA-N -1 3 398.442 3.237 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC000826308166 607457584 /nfs/dbraw/zinc/45/75/84/607457584.db2.gz MKQYQRIIDNQVJQ-QGZVFWFLSA-N -1 3 391.479 3.256 20 0 GGADHM Cc1cccnc1[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC000826308166 607457585 /nfs/dbraw/zinc/45/75/85/607457585.db2.gz MKQYQRIIDNQVJQ-QGZVFWFLSA-N -1 3 391.479 3.256 20 0 GGADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C2CCC(C)CC2)CC1 ZINC000738518680 600631445 /nfs/dbraw/zinc/63/14/45/600631445.db2.gz MUIDHJXBBDODIY-URSIVYNOSA-N -1 3 387.524 3.217 20 0 GGADHM Cc1cc(C)c2c(n1)sc1c2N[C@H](c2ccc(-c3nnn[n-]3)cc2F)NC1=O ZINC000822195619 607462328 /nfs/dbraw/zinc/46/23/28/607462328.db2.gz YPOPOIHZPHMNGR-INIZCTEOSA-N -1 3 395.423 3.086 20 0 GGADHM Cc1cc(C)c2c(n1)sc1c2N[C@H](c2ccc(-c3nn[n-]n3)cc2F)NC1=O ZINC000822195619 607462330 /nfs/dbraw/zinc/46/23/30/607462330.db2.gz YPOPOIHZPHMNGR-INIZCTEOSA-N -1 3 395.423 3.086 20 0 GGADHM CCc1[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000737241324 600692331 /nfs/dbraw/zinc/69/23/31/600692331.db2.gz LVURGBSUBXXNGE-HNNXBMFYSA-N -1 3 383.492 3.320 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000826287294 607459289 /nfs/dbraw/zinc/45/92/89/607459289.db2.gz JPODLCQITUJJCI-ZDUSSCGKSA-N -1 3 380.452 3.078 20 0 GGADHM Cc1ccc(CC[C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000826287294 607459290 /nfs/dbraw/zinc/45/92/90/607459290.db2.gz JPODLCQITUJJCI-ZDUSSCGKSA-N -1 3 380.452 3.078 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(-n2cccn2)cc1 ZINC000827727711 600693793 /nfs/dbraw/zinc/69/37/93/600693793.db2.gz LXQGIVNWXDHWFC-SUMWQHHRSA-N -1 3 396.472 3.088 20 0 GGADHM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(-n2cccn2)c1 ZINC000827727228 600693876 /nfs/dbraw/zinc/69/38/76/600693876.db2.gz HGMRXGIEBSBNPR-GUYCJALGSA-N -1 3 396.472 3.088 20 0 GGADHM CC1CCN([C@@H](CNC(=O)N2CCC[C@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000262970074 600699989 /nfs/dbraw/zinc/69/99/89/600699989.db2.gz JUNVAQSAZGWRON-HOTGVXAUSA-N -1 3 379.526 3.027 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000262970076 600700021 /nfs/dbraw/zinc/70/00/21/600700021.db2.gz JUNVAQSAZGWRON-JKSUJKDBSA-N -1 3 379.526 3.027 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C(=O)[O-])cc1 ZINC000832923178 600707775 /nfs/dbraw/zinc/70/77/75/600707775.db2.gz JWIIWIODWGGLBG-KRWDZBQOSA-N -1 3 380.444 3.401 20 0 GGADHM COC(=O)c1ccc2c(c1)CN(CCCCN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737701939 600713495 /nfs/dbraw/zinc/71/34/95/600713495.db2.gz JYEFENFDAABOTF-UHFFFAOYSA-N -1 3 394.471 3.283 20 0 GGADHM CC(C)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C1CCOCC1 ZINC000736801005 600717658 /nfs/dbraw/zinc/71/76/58/600717658.db2.gz IFOGQHKKJGJNMJ-ZDUSSCGKSA-N -1 3 394.537 3.399 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2)C[C@H](C)O1 ZINC000828455780 600736927 /nfs/dbraw/zinc/73/69/27/600736927.db2.gz GQBFHSIQBSCHSU-VWKPWSFCSA-N -1 3 386.467 3.350 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736814774 600742232 /nfs/dbraw/zinc/74/22/32/600742232.db2.gz LPUDUDPMSIWLMN-QGZVFWFLSA-N -1 3 397.475 3.278 20 0 GGADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736815533 600743920 /nfs/dbraw/zinc/74/39/20/600743920.db2.gz SBTQVKDJVJHGMY-QGZVFWFLSA-N -1 3 397.475 3.278 20 0 GGADHM CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000832659896 600752904 /nfs/dbraw/zinc/75/29/04/600752904.db2.gz OSAQAANQQKLWIO-WDMOLILDSA-N -1 3 380.293 3.065 20 0 GGADHM CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000832659894 600752911 /nfs/dbraw/zinc/75/29/11/600752911.db2.gz OSAQAANQQKLWIO-JTNHKYCSSA-N -1 3 380.293 3.065 20 0 GGADHM CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000832659895 600752923 /nfs/dbraw/zinc/75/29/23/600752923.db2.gz OSAQAANQQKLWIO-MISXGVKJSA-N -1 3 380.293 3.065 20 0 GGADHM Cn1cc(N2CCC[C@@H](N[C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)cn1 ZINC000833044471 600755617 /nfs/dbraw/zinc/75/56/17/600755617.db2.gz AYPDUODKLKJGGV-WBMJQRKESA-N -1 3 383.279 3.111 20 0 GGADHM O=C([O-])[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1cccc(Cl)c1 ZINC000833167824 600761554 /nfs/dbraw/zinc/76/15/54/600761554.db2.gz QHJLHPPIBZPAGY-DOADOZAASA-N -1 3 384.863 3.212 20 0 GGADHM C[C@H]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828276414 600765456 /nfs/dbraw/zinc/76/54/56/600765456.db2.gz CEOFWIWVIJZRTK-SFHVURJKSA-N -1 3 395.503 3.233 20 0 GGADHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)C1(c2ccc(Cl)cc2)CC1 ZINC000826460689 607466961 /nfs/dbraw/zinc/46/69/61/607466961.db2.gz NAAJCEIVSHUMES-UHFFFAOYSA-N -1 3 391.822 3.134 20 0 GGADHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)C1(c2ccc(Cl)cc2)CC1 ZINC000826460689 607466962 /nfs/dbraw/zinc/46/69/62/607466962.db2.gz NAAJCEIVSHUMES-UHFFFAOYSA-N -1 3 391.822 3.134 20 0 GGADHM O=C([O-])c1ccoc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000740249529 600796245 /nfs/dbraw/zinc/79/62/45/600796245.db2.gz XVTGRYLWKLXODI-UHFFFAOYSA-N -1 3 382.460 3.381 20 0 GGADHM Cc1cc(CN[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000832882378 600809979 /nfs/dbraw/zinc/80/99/79/600809979.db2.gz FVTHTNRZLMAMGP-QFBILLFUSA-N -1 3 382.460 3.050 20 0 GGADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccccc1N(C)C)CC2 ZINC000565104021 600819696 /nfs/dbraw/zinc/81/96/96/600819696.db2.gz IFGDNYCPDSZYQD-LJQANCHMSA-N -1 3 384.476 3.344 20 0 GGADHM O=c1[nH]c2ccc(N(Cc3ccncc3)Cc3ccc(-c4nnn[n-]4)cc3)cc2[nH]1 ZINC000826501153 607470209 /nfs/dbraw/zinc/47/02/09/607470209.db2.gz BVUZGGUUAHKXIB-UHFFFAOYSA-N -1 3 398.430 3.050 20 0 GGADHM O=c1[nH]c2ccc(N(Cc3ccncc3)Cc3ccc(-c4nn[n-]n4)cc3)cc2[nH]1 ZINC000826501153 607470211 /nfs/dbraw/zinc/47/02/11/607470211.db2.gz BVUZGGUUAHKXIB-UHFFFAOYSA-N -1 3 398.430 3.050 20 0 GGADHM Cc1cc(C[C@@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC000822193189 607470256 /nfs/dbraw/zinc/47/02/56/607470256.db2.gz NZMUIJPXTWQTIJ-OAHLLOKOSA-N -1 3 388.479 3.416 20 0 GGADHM Cc1cc(C[C@@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC000822193189 607470258 /nfs/dbraw/zinc/47/02/58/607470258.db2.gz NZMUIJPXTWQTIJ-OAHLLOKOSA-N -1 3 388.479 3.416 20 0 GGADHM COc1cc2c(cc1CNc1nc3ccccc3cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821727748 607470271 /nfs/dbraw/zinc/47/02/71/607470271.db2.gz NXZNTCVIMJZINJ-GFCCVEGCSA-N -1 3 388.431 3.359 20 0 GGADHM COc1cc2c(cc1CNc1nc3ccccc3cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821727748 607470273 /nfs/dbraw/zinc/47/02/73/607470273.db2.gz NXZNTCVIMJZINJ-GFCCVEGCSA-N -1 3 388.431 3.359 20 0 GGADHM CN(C)C(=O)C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(Cl)cc21 ZINC000825840337 607471281 /nfs/dbraw/zinc/47/12/81/607471281.db2.gz NZHLIDPWDKJNNX-OAHLLOKOSA-N -1 3 396.882 3.102 20 0 GGADHM CN(C)C(=O)C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(Cl)cc21 ZINC000825840337 607471284 /nfs/dbraw/zinc/47/12/84/607471284.db2.gz NZHLIDPWDKJNNX-OAHLLOKOSA-N -1 3 396.882 3.102 20 0 GGADHM CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000463339526 600845343 /nfs/dbraw/zinc/84/53/43/600845343.db2.gz IXHWGNCXFHGHQY-GHTZIAJQSA-N -1 3 384.451 3.170 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000831918108 600863092 /nfs/dbraw/zinc/86/30/92/600863092.db2.gz LHUJQTCLJHKUPY-OIISXLGYSA-N -1 3 389.448 3.199 20 0 GGADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN1[C@H](C)CC[C@H]1C ZINC000827958250 600920368 /nfs/dbraw/zinc/92/03/68/600920368.db2.gz RTXVMMOYFTWCGA-BZUAXINKSA-N -1 3 385.464 3.335 20 0 GGADHM CN(C(=O)c1ccccc1SCc1occc1C(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000737519193 600929425 /nfs/dbraw/zinc/92/94/25/600929425.db2.gz HQEWDMJLKBDPLA-CQSZACIVSA-N -1 3 388.489 3.436 20 0 GGADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)c1 ZINC000237720030 600929813 /nfs/dbraw/zinc/92/98/13/600929813.db2.gz CBMVSYSBRYJPFT-UHFFFAOYSA-N -1 3 381.476 3.152 20 0 GGADHM CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000737007369 600973808 /nfs/dbraw/zinc/97/38/08/600973808.db2.gz GEBIWFCSRLCZTQ-OALUTQOASA-N -1 3 394.556 3.150 20 0 GGADHM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCC3(C2)CCCCC3)cc(C(=O)[O-])c1 ZINC000737659844 600975614 /nfs/dbraw/zinc/97/56/14/600975614.db2.gz KDQIURFNVVSNGY-CQSZACIVSA-N -1 3 388.464 3.155 20 0 GGADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000737863414 600978976 /nfs/dbraw/zinc/97/89/76/600978976.db2.gz ODWLTHIWLUTZJV-IAGOWNOFSA-N -1 3 389.448 3.262 20 0 GGADHM C[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000736810230 600981474 /nfs/dbraw/zinc/98/14/74/600981474.db2.gz SWWSTSVSGVKYCW-VOQZNFBZSA-N -1 3 392.499 3.150 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)ccc1C(=O)[O-] ZINC000832904641 600984017 /nfs/dbraw/zinc/98/40/17/600984017.db2.gz WMZVAFYYKGPUNG-UHFFFAOYSA-N -1 3 388.489 3.132 20 0 GGADHM COc1ccccc1NC(=O)C1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000832622442 600986668 /nfs/dbraw/zinc/98/66/68/600986668.db2.gz CLOXNKFGMNKNRC-IBGZPJMESA-N -1 3 386.423 3.311 20 0 GGADHM CC(C)(O)CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CCOCC1 ZINC000826636890 601011486 /nfs/dbraw/zinc/01/14/86/601011486.db2.gz SVEGDUYQTKWTJV-UHFFFAOYSA-N -1 3 390.505 3.260 20 0 GGADHM CC(C)C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(=O)[O-] ZINC000424473262 601033585 /nfs/dbraw/zinc/03/35/85/601033585.db2.gz QHYLZXMRLBMRIQ-QGZVFWFLSA-N -1 3 393.553 3.146 20 0 GGADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](N(C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843056 601041808 /nfs/dbraw/zinc/04/18/08/601041808.db2.gz OUIRFONKVGQCEO-SJLPKXTDSA-N -1 3 383.492 3.107 20 0 GGADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000832931505 601047634 /nfs/dbraw/zinc/04/76/34/601047634.db2.gz ZDHPOZYXYOQSHZ-URPPZRDFSA-N -1 3 378.494 3.253 20 0 GGADHM COCCCOc1cc(C)ccc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000821687898 607487271 /nfs/dbraw/zinc/48/72/71/607487271.db2.gz UWPWVEIBVZIOFV-UHFFFAOYSA-N -1 3 385.443 3.019 20 0 GGADHM Cc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(OC[C@@H]2CCCO2)c1 ZINC000822238918 607487346 /nfs/dbraw/zinc/48/73/46/607487346.db2.gz ZPPWGEADVFIFRD-SFHVURJKSA-N -1 3 397.454 3.162 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000833176092 601084564 /nfs/dbraw/zinc/08/45/64/601084564.db2.gz AUDMJNZTCJFTEV-ACRUOGEOSA-N -1 3 399.535 3.176 20 0 GGADHM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000833176102 601084609 /nfs/dbraw/zinc/08/46/09/601084609.db2.gz AUDMJNZTCJFTEV-NJYVYQBISA-N -1 3 399.535 3.176 20 0 GGADHM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000833176098 601084701 /nfs/dbraw/zinc/08/47/01/601084701.db2.gz AUDMJNZTCJFTEV-HKBOAZHASA-N -1 3 399.535 3.176 20 0 GGADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000826118668 601088687 /nfs/dbraw/zinc/08/86/87/601088687.db2.gz QZBNOPWEBUEHOG-IBGZPJMESA-N -1 3 381.476 3.445 20 0 GGADHM CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830608982 601097416 /nfs/dbraw/zinc/09/74/16/601097416.db2.gz OIOOVBOEPTYMJO-UHFFFAOYSA-N -1 3 384.480 3.040 20 0 GGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000821883175 607489082 /nfs/dbraw/zinc/48/90/82/607489082.db2.gz ROLPQAXTBKMZOT-LJQANCHMSA-N -1 3 379.395 3.487 20 0 GGADHM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000821883175 607489084 /nfs/dbraw/zinc/48/90/84/607489084.db2.gz ROLPQAXTBKMZOT-LJQANCHMSA-N -1 3 379.395 3.487 20 0 GGADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826473159 607489293 /nfs/dbraw/zinc/48/92/93/607489293.db2.gz MTXFJSRPEMORAH-UHFFFAOYSA-N -1 3 382.855 3.010 20 0 GGADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826473159 607489295 /nfs/dbraw/zinc/48/92/95/607489295.db2.gz MTXFJSRPEMORAH-UHFFFAOYSA-N -1 3 382.855 3.010 20 0 GGADHM Cc1[nH]c(C(=O)CN2CCN(Cc3ccccc3)CC[C@H]2C)c(C)c1C(=O)[O-] ZINC000832843734 601120326 /nfs/dbraw/zinc/12/03/26/601120326.db2.gz GDFPCZACSWDPPF-OAHLLOKOSA-N -1 3 383.492 3.109 20 0 GGADHM CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830499848 601130952 /nfs/dbraw/zinc/13/09/52/601130952.db2.gz GPIGLXZJPHUURJ-FQEVSTJZSA-N -1 3 381.476 3.442 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccccc1OCC(F)(F)F ZINC000821749415 607490621 /nfs/dbraw/zinc/49/06/21/607490621.db2.gz KSOACOBCQLMZGH-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccccc1OCC(F)(F)F ZINC000821749415 607490622 /nfs/dbraw/zinc/49/06/22/607490622.db2.gz KSOACOBCQLMZGH-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@@](C)(C(=O)[O-])C3CC3)cs2)c1 ZINC000832926608 601153418 /nfs/dbraw/zinc/15/34/18/601153418.db2.gz VTLFDLHITHNUQW-HXUWFJFHSA-N -1 3 387.505 3.284 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000826055220 601201737 /nfs/dbraw/zinc/20/17/37/601201737.db2.gz WZNGGIDNHFTNML-SJCJKPOMSA-N -1 3 391.265 3.439 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000826054734 601202608 /nfs/dbraw/zinc/20/26/08/601202608.db2.gz PRSYTGIBFVRSLZ-YVEFUNNKSA-N -1 3 378.375 3.278 20 0 GGADHM COc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832373915 601203185 /nfs/dbraw/zinc/20/31/85/601203185.db2.gz NSEPHVYVVKXXMV-SGTLLEGYSA-N -1 3 376.840 3.339 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000826051488 601203339 /nfs/dbraw/zinc/20/33/39/601203339.db2.gz CLAWLLUJIWZDFQ-JLTOFOAXSA-N -1 3 397.500 3.007 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000826051490 601203397 /nfs/dbraw/zinc/20/33/97/601203397.db2.gz CLAWLLUJIWZDFQ-VLIAUNLRSA-N -1 3 397.500 3.007 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000826052410 601203516 /nfs/dbraw/zinc/20/35/16/601203516.db2.gz GKXZKAPGVCSFNR-SJCJKPOMSA-N -1 3 391.265 3.439 20 0 GGADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000826051994 601204664 /nfs/dbraw/zinc/20/46/64/601204664.db2.gz GABCZWVTIZTRDQ-GTNSWQLSSA-N -1 3 387.436 3.426 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000832946146 601206719 /nfs/dbraw/zinc/20/67/19/601206719.db2.gz LFAMBSOYTSNWOR-BEFAXECRSA-N -1 3 383.448 3.003 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1c(F)cc(F)cc1F ZINC000820526096 607497640 /nfs/dbraw/zinc/49/76/40/607497640.db2.gz INWNTSCQRRMJJO-UWVGGRQHSA-N -1 3 392.337 3.356 20 0 GGADHM CC(C)COc1cccc(OCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820102673 607503570 /nfs/dbraw/zinc/50/35/70/607503570.db2.gz GLEABSIEZNHZBR-UHFFFAOYSA-N -1 3 382.420 3.024 20 0 GGADHM CC(C)COc1cccc(OCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820102673 607503572 /nfs/dbraw/zinc/50/35/72/607503572.db2.gz GLEABSIEZNHZBR-UHFFFAOYSA-N -1 3 382.420 3.024 20 0 GGADHM CC(C)c1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000820206308 607499789 /nfs/dbraw/zinc/49/97/89/607499789.db2.gz IAPRQADDQMGMNF-UHFFFAOYSA-N -1 3 380.380 3.300 20 0 GGADHM CC(C)c1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000820206308 607499792 /nfs/dbraw/zinc/49/97/92/607499792.db2.gz IAPRQADDQMGMNF-UHFFFAOYSA-N -1 3 380.380 3.300 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832310590 601309790 /nfs/dbraw/zinc/30/97/90/601309790.db2.gz FLDLYOHMERIMTF-INIZCTEOSA-N -1 3 389.427 3.233 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820294426 607499910 /nfs/dbraw/zinc/49/99/10/607499910.db2.gz SJJSUHWIOLWXMY-CYBMUJFWSA-N -1 3 385.468 3.192 20 0 GGADHM C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820294426 607499911 /nfs/dbraw/zinc/49/99/11/607499911.db2.gz SJJSUHWIOLWXMY-CYBMUJFWSA-N -1 3 385.468 3.192 20 0 GGADHM CN1CCC(N(Cc2ccccc2)C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000830924027 601332762 /nfs/dbraw/zinc/33/27/62/601332762.db2.gz ZBFQMNSDBHYDBQ-UHFFFAOYSA-N -1 3 395.503 3.233 20 0 GGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cc(F)cc1F ZINC000820500315 607501298 /nfs/dbraw/zinc/50/12/98/607501298.db2.gz DBWBKHWCLBVCNR-ZCFIWIBFSA-N -1 3 384.264 3.480 20 0 GGADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(F)cc(F)cc1F ZINC000820500315 607501300 /nfs/dbraw/zinc/50/13/00/607501300.db2.gz DBWBKHWCLBVCNR-ZCFIWIBFSA-N -1 3 384.264 3.480 20 0 GGADHM CN(C)Cc1ccc(-c2noc(Cn3cc(C(=O)[O-])c4ccccc43)n2)cc1 ZINC000830619591 601369771 /nfs/dbraw/zinc/36/97/71/601369771.db2.gz GCXOYLZAALZUFR-UHFFFAOYSA-N -1 3 376.416 3.499 20 0 GGADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)c1C ZINC000821083011 607506604 /nfs/dbraw/zinc/50/66/04/607506604.db2.gz RNSPTZNRWMNIGR-UHFFFAOYSA-N -1 3 384.444 3.214 20 0 GGADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)c1C ZINC000821083011 607506605 /nfs/dbraw/zinc/50/66/05/607506605.db2.gz RNSPTZNRWMNIGR-UHFFFAOYSA-N -1 3 384.444 3.214 20 0 GGADHM C[C@H]1COCCCN1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820813301 607507241 /nfs/dbraw/zinc/50/72/41/607507241.db2.gz CZXRRRHJNZHBKT-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@H]1COCCCN1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820813301 607507244 /nfs/dbraw/zinc/50/72/44/607507244.db2.gz CZXRRRHJNZHBKT-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM Brc1ccccc1[C@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000823832731 607511602 /nfs/dbraw/zinc/51/16/02/607511602.db2.gz URDIQHSEQJCMBO-MRXNPFEDSA-N -1 3 385.269 3.361 20 0 GGADHM Brc1ccccc1[C@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000823832731 607511604 /nfs/dbraw/zinc/51/16/04/607511604.db2.gz URDIQHSEQJCMBO-MRXNPFEDSA-N -1 3 385.269 3.361 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000829170377 601457721 /nfs/dbraw/zinc/45/77/21/601457721.db2.gz PGXNTATZVSNZQO-GDBMZVCRSA-N -1 3 391.489 3.204 20 0 GGADHM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000663149772 601485285 /nfs/dbraw/zinc/48/52/85/601485285.db2.gz ZAOLVAAHLYAKNY-WIYYLYMNSA-N -1 3 396.462 3.248 20 0 GGADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000827726994 601511751 /nfs/dbraw/zinc/51/17/51/601511751.db2.gz DNQJLZNFBKKZMD-DJZPMSPPSA-N -1 3 386.473 3.094 20 0 GGADHM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828424010 601513724 /nfs/dbraw/zinc/51/37/24/601513724.db2.gz NVQRJHQJIKNJPB-IIDMSEBBSA-N -1 3 399.516 3.353 20 0 GGADHM Cc1cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863223 601535836 /nfs/dbraw/zinc/53/58/36/601535836.db2.gz LFEAIQHBHHHONM-YLJYHZDGSA-N -1 3 396.487 3.332 20 0 GGADHM Cc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863219 601535842 /nfs/dbraw/zinc/53/58/42/601535842.db2.gz LFEAIQHBHHHONM-XLIONFOSSA-N -1 3 396.487 3.332 20 0 GGADHM Cc1cc(C(=O)N(CCN(C)C)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832860172 601536861 /nfs/dbraw/zinc/53/68/61/601536861.db2.gz CZYDWPUVOMHKCU-UHFFFAOYSA-N -1 3 376.497 3.103 20 0 GGADHM O=C([O-])C1(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCCC1 ZINC000833173596 601604320 /nfs/dbraw/zinc/60/43/20/601604320.db2.gz FAORLVJELSIPKD-IBGZPJMESA-N -1 3 398.425 3.202 20 0 GGADHM CCC(CC)n1ccc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000825115541 607516532 /nfs/dbraw/zinc/51/65/32/607516532.db2.gz ZUPJFQMXPWGWPQ-UHFFFAOYSA-N -1 3 394.527 3.137 20 0 GGADHM CCN1CCN(c2ccc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000829781011 601607899 /nfs/dbraw/zinc/60/78/99/601607899.db2.gz OFLQEEWLPQATMX-UTKZUKDTSA-N -1 3 395.503 3.020 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832310467 601617646 /nfs/dbraw/zinc/61/76/46/601617646.db2.gz ATHSCXMBSLTVIO-AUUYWEPGSA-N -1 3 385.464 3.340 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1F ZINC000833313276 601620652 /nfs/dbraw/zinc/62/06/52/601620652.db2.gz RJDLABAODAECJK-CYBMUJFWSA-N -1 3 391.830 3.423 20 0 GGADHM c1cc(-c2nnn[n-]2)ccc1CN(Cc1noc(C2CCCCC2)n1)C1CC1 ZINC000826513855 607520253 /nfs/dbraw/zinc/52/02/53/607520253.db2.gz YEGDFHBDRUHDNM-UHFFFAOYSA-N -1 3 379.468 3.462 20 0 GGADHM c1cc(-c2nn[n-]n2)ccc1CN(Cc1noc(C2CCCCC2)n1)C1CC1 ZINC000826513855 607520255 /nfs/dbraw/zinc/52/02/55/607520255.db2.gz YEGDFHBDRUHDNM-UHFFFAOYSA-N -1 3 379.468 3.462 20 0 GGADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829643202 601644089 /nfs/dbraw/zinc/64/40/89/601644089.db2.gz WLKYVTHPAIQKPC-ZDUSSCGKSA-N -1 3 390.377 3.147 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000826055035 601650199 /nfs/dbraw/zinc/65/01/99/601650199.db2.gz UVPJGBZGESZVQQ-BLLLJJGKSA-N -1 3 383.416 3.235 20 0 GGADHM C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000827581980 601650662 /nfs/dbraw/zinc/65/06/62/601650662.db2.gz WBTDUNCPGMVVHH-CKNLXJGOSA-N -1 3 390.430 3.064 20 0 GGADHM Cc1ccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000832945697 601651668 /nfs/dbraw/zinc/65/16/68/601651668.db2.gz HVVUBZAGCLMNBQ-KXBFYZLASA-N -1 3 383.448 3.003 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1ccccc1 ZINC000826054780 601652657 /nfs/dbraw/zinc/65/26/57/601652657.db2.gz QNFWKCDWNBQNJS-IERDGZPVSA-N -1 3 398.507 3.454 20 0 GGADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 ZINC000826051079 601653351 /nfs/dbraw/zinc/65/33/51/601653351.db2.gz AKGLCQPROIGTDM-YVEFUNNKSA-N -1 3 385.445 3.393 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 ZINC000826051078 601653433 /nfs/dbraw/zinc/65/34/33/601653433.db2.gz AKGLCQPROIGTDM-SJKOYZFVSA-N -1 3 385.445 3.393 20 0 GGADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccccc1 ZINC000826045702 601655369 /nfs/dbraw/zinc/65/53/69/601655369.db2.gz XJUMSZPWOBBQQB-ACJLOTCBSA-N -1 3 383.473 3.311 20 0 GGADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccccc1 ZINC000826045703 601655398 /nfs/dbraw/zinc/65/53/98/601655398.db2.gz XJUMSZPWOBBQQB-FZKQIMNGSA-N -1 3 383.473 3.311 20 0 GGADHM O=C(CCCNc1cc(Cl)ccc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000826406106 607520060 /nfs/dbraw/zinc/52/00/60/607520060.db2.gz IKLLHVBNJDMIQM-UHFFFAOYSA-N -1 3 382.855 3.302 20 0 GGADHM O=C(CCCNc1cc(Cl)ccc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000826406106 607520062 /nfs/dbraw/zinc/52/00/62/607520062.db2.gz IKLLHVBNJDMIQM-UHFFFAOYSA-N -1 3 382.855 3.302 20 0 GGADHM Cc1cc(C(=O)N(CCN(C)C)Cc2cccs2)cc(C)c1OCC(=O)[O-] ZINC000832860348 601672344 /nfs/dbraw/zinc/67/23/44/601672344.db2.gz PCMOVUNIZLPPSA-UHFFFAOYSA-N -1 3 390.505 3.032 20 0 GGADHM Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000832862508 601674696 /nfs/dbraw/zinc/67/46/96/601674696.db2.gz ASZASHDIQWJIEZ-HXUWFJFHSA-N -1 3 396.487 3.334 20 0 GGADHM Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000832862500 601674848 /nfs/dbraw/zinc/67/48/48/601674848.db2.gz ASZASHDIQWJIEZ-FQEVSTJZSA-N -1 3 396.487 3.334 20 0 GGADHM Cc1ccc([C@H](CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000832924783 601679856 /nfs/dbraw/zinc/67/98/56/601679856.db2.gz ZNYOIJIVVJAHCA-IBGZPJMESA-N -1 3 384.476 3.108 20 0 GGADHM C[C@@H](Cc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827593021 601727551 /nfs/dbraw/zinc/72/75/51/601727551.db2.gz YVAYCXHXCBZLIN-FDDCHVKYSA-N -1 3 380.488 3.101 20 0 GGADHM Ic1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826379230 607523613 /nfs/dbraw/zinc/52/36/13/607523613.db2.gz MSOXNGOIXDEDQV-UHFFFAOYSA-N -1 3 383.218 3.145 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cc(Cl)ccc2F)CCCN(Cc2ccccc2)C1 ZINC000833128513 601728517 /nfs/dbraw/zinc/72/85/17/601728517.db2.gz IJZHKAQODIQYJG-FQEVSTJZSA-N -1 3 390.842 3.328 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc3cnccc32)CCCN(Cc2ccccc2)C1 ZINC000833128473 601728660 /nfs/dbraw/zinc/72/86/60/601728660.db2.gz HCYMBBHGEHWYBO-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000833128992 601730274 /nfs/dbraw/zinc/73/02/74/601730274.db2.gz QMGPPIAFPMWWAE-YZUZCNPQSA-N -1 3 392.499 3.101 20 0 GGADHM COc1cccc([C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832528406 601730542 /nfs/dbraw/zinc/73/05/42/601730542.db2.gz KGMBNTTXQGLZET-HXOBKFHXSA-N -1 3 396.487 3.034 20 0 GGADHM COc1cccc([C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832528407 601730655 /nfs/dbraw/zinc/73/06/55/601730655.db2.gz KGMBNTTXQGLZET-SBUREZEXSA-N -1 3 396.487 3.034 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)/C=C\c2cccc(F)c2)CCCN(Cc2ccccc2)C1 ZINC000833094677 601731357 /nfs/dbraw/zinc/73/13/57/601731357.db2.gz JZDXYOQSJUHJNG-GMAFFVFYSA-N -1 3 382.435 3.075 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cc3ccsc3[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833128855 601731722 /nfs/dbraw/zinc/73/17/22/601731722.db2.gz OIIXRIZBVQLDAW-FQEVSTJZSA-N -1 3 383.473 3.079 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2ccc(F)cc2Cl)CCCN(Cc2ccccc2)C1 ZINC000833129245 601731737 /nfs/dbraw/zinc/73/17/37/601731737.db2.gz XWWFLTRERUVWQI-FQEVSTJZSA-N -1 3 390.842 3.328 20 0 GGADHM Cn1ccc2c1cccc2C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833055397 601733127 /nfs/dbraw/zinc/73/31/27/601733127.db2.gz LUCAFLHXLWAIBG-HSZRJFAPSA-N -1 3 391.471 3.028 20 0 GGADHM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC000825994404 601733600 /nfs/dbraw/zinc/73/36/00/601733600.db2.gz GOXWIZWIZWBBQI-ZHRRBRCNSA-N -1 3 384.451 3.165 20 0 GGADHM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC000825994399 601733660 /nfs/dbraw/zinc/73/36/60/601733660.db2.gz GOXWIZWIZWBBQI-KSFYIVLOSA-N -1 3 384.451 3.165 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cnc3ccsc3c2)CCCN(Cc2ccccc2)C1 ZINC000833128510 601733741 /nfs/dbraw/zinc/73/37/41/601733741.db2.gz IJVZLJYZWPLSBQ-NRFANRHFSA-N -1 3 395.484 3.146 20 0 GGADHM COc1ccc([C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832216864 601734009 /nfs/dbraw/zinc/73/40/09/601734009.db2.gz UEOOJZFEHWRQEX-HXOBKFHXSA-N -1 3 396.487 3.034 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833128668 601735023 /nfs/dbraw/zinc/73/50/23/601735023.db2.gz LESKUPAXOBPJFS-MIZPHKNDSA-N -1 3 396.462 3.165 20 0 GGADHM O=C([O-])[C@]1(NC(=O)/C=C/c2ccccc2F)CCCN(Cc2ccccc2)C1 ZINC000833094801 601735074 /nfs/dbraw/zinc/73/50/74/601735074.db2.gz KTQGDFOWLTXMBN-LEQVUBRHSA-N -1 3 382.435 3.075 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833128672 601735246 /nfs/dbraw/zinc/73/52/46/601735246.db2.gz LESKUPAXOBPJFS-TXTKFYIRSA-N -1 3 396.462 3.165 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)c2ccc(C(F)F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833129128 601735508 /nfs/dbraw/zinc/73/55/08/601735508.db2.gz USZYBGJCKICBSI-OAQYLSRUSA-N -1 3 388.414 3.473 20 0 GGADHM O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1F ZINC000833125760 601736042 /nfs/dbraw/zinc/73/60/42/601736042.db2.gz ZCPVHHJSCYZVBD-KXBFYZLASA-N -1 3 388.414 3.119 20 0 GGADHM O=C([O-])[C@@]1(NC(=O)C/C=C/c2ccc(F)cc2)CCCN(Cc2ccccc2)C1 ZINC000833096035 601740845 /nfs/dbraw/zinc/74/08/45/601740845.db2.gz GGDYSQASYNKKND-VURDRKPISA-N -1 3 396.462 3.465 20 0 GGADHM O=C([O-])[C@]1(NC(=O)c2cccc3ncccc32)CCCN(Cc2ccccc2)C1 ZINC000833128424 601741265 /nfs/dbraw/zinc/74/12/65/601741265.db2.gz FQUCXZLBWAWTSN-QHCPKHFHSA-N -1 3 389.455 3.084 20 0 GGADHM O=C([O-])c1sccc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000833347789 601808202 /nfs/dbraw/zinc/80/82/02/601808202.db2.gz TYCQJZUERJKRBP-UHFFFAOYSA-N -1 3 379.869 3.345 20 0 GGADHM O=C([O-])CCC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000659393259 601823510 /nfs/dbraw/zinc/82/35/10/601823510.db2.gz XFIIZCDXDDWXOY-INIZCTEOSA-N -1 3 379.526 3.171 20 0 GGADHM CCN(CC)[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccsc1 ZINC000659394141 601824722 /nfs/dbraw/zinc/82/47/22/601824722.db2.gz JVVJLLUUKMKSDX-QGZVFWFLSA-N -1 3 381.542 3.417 20 0 GGADHM CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000659395078 601824930 /nfs/dbraw/zinc/82/49/30/601824930.db2.gz ZTKACEMPVJWJCC-UHFFFAOYSA-N -1 3 387.524 3.110 20 0 GGADHM O=C([O-])CCC1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000659395762 601826233 /nfs/dbraw/zinc/82/62/33/601826233.db2.gz VFWKTUMUXUZQHM-HXUWFJFHSA-N -1 3 387.524 3.328 20 0 GGADHM CC[C@H](C)[C@@H](NCc1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000828740716 601832378 /nfs/dbraw/zinc/83/23/78/601832378.db2.gz WRHOLDPBMAFLEZ-MGPUTAFESA-N -1 3 398.507 3.456 20 0 GGADHM C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662219100 601839259 /nfs/dbraw/zinc/83/92/59/601839259.db2.gz ZNIDMTRSNHLSTN-OAHLLOKOSA-N -1 3 396.915 3.143 20 0 GGADHM C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(CCC(=O)[O-])CC1 ZINC000662218860 601840340 /nfs/dbraw/zinc/84/03/40/601840340.db2.gz VIAKCFXCDSFEFT-ZDUSSCGKSA-N -1 3 384.879 3.403 20 0 GGADHM CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000662217689 601843413 /nfs/dbraw/zinc/84/34/13/601843413.db2.gz IWYLJZGEWTVQSM-HXUWFJFHSA-N -1 3 388.508 3.326 20 0 GGADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000825977942 601843510 /nfs/dbraw/zinc/84/35/10/601843510.db2.gz SLSXZWSOPNBBES-GAJHUEQPSA-N -1 3 384.520 3.068 20 0 GGADHM O=C([O-])CCC1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000833224377 601844442 /nfs/dbraw/zinc/84/44/42/601844442.db2.gz AIIXZFGRXDTKKA-UHFFFAOYSA-N -1 3 395.503 3.360 20 0 GGADHM CC(C)(CNC(=O)NCc1cccc(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000666518278 601851675 /nfs/dbraw/zinc/85/16/75/601851675.db2.gz RQXTWUSVWLNTMZ-UHFFFAOYSA-N -1 3 381.476 3.021 20 0 GGADHM COc1ccc(CNC(=S)Nc2cccc(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000826202450 607529780 /nfs/dbraw/zinc/52/97/80/607529780.db2.gz ZXZYPGJMVDQJFC-UHFFFAOYSA-N -1 3 382.493 3.485 20 0 GGADHM COc1ccc(CNC(=S)Nc2cccc(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000826202450 607529782 /nfs/dbraw/zinc/52/97/82/607529782.db2.gz ZXZYPGJMVDQJFC-UHFFFAOYSA-N -1 3 382.493 3.485 20 0 GGADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCCN3C[C@@H](C)O[C@H](C)C3)c12 ZINC000583027394 601857795 /nfs/dbraw/zinc/85/77/95/601857795.db2.gz MQFONHBTDUPMKX-VXGBXAGGSA-N -1 3 392.525 3.308 20 0 GGADHM Cc1ccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000666524019 601865533 /nfs/dbraw/zinc/86/55/33/601865533.db2.gz WZCAYJKNILCVLE-FQEVSTJZSA-N -1 3 381.476 3.330 20 0 GGADHM O=C([O-])CC1(NCc2nnc(-c3ccc(Br)o3)o2)CCCCC1 ZINC000833205382 601880805 /nfs/dbraw/zinc/88/08/05/601880805.db2.gz BWYASLPUUJPMLH-UHFFFAOYSA-N -1 3 384.230 3.359 20 0 GGADHM COc1cc(C(C)=O)ccc1SCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826177849 607532510 /nfs/dbraw/zinc/53/25/10/607532510.db2.gz YBYJZNLYIUKLAE-UHFFFAOYSA-N -1 3 397.460 3.199 20 0 GGADHM COc1cc(C(C)=O)ccc1SCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826177849 607532512 /nfs/dbraw/zinc/53/25/12/607532512.db2.gz YBYJZNLYIUKLAE-UHFFFAOYSA-N -1 3 397.460 3.199 20 0 GGADHM CN(CCC(=O)Nc1ccccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727427 601899205 /nfs/dbraw/zinc/89/92/05/601899205.db2.gz TUAMSQGYFZBHNB-KRWDZBQOSA-N -1 3 384.329 3.329 20 0 GGADHM CN(CCC(=O)Nc1ccccc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727430 601899222 /nfs/dbraw/zinc/89/92/22/601899222.db2.gz TUAMSQGYFZBHNB-QGZVFWFLSA-N -1 3 384.329 3.329 20 0 GGADHM Cc1ccc(OC[C@@H](O)CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000832951256 601901809 /nfs/dbraw/zinc/90/18/09/601901809.db2.gz MGOSFCNSVYSKDE-IFXJQAMLSA-N -1 3 397.393 3.218 20 0 GGADHM COc1ccc(CN[C@@H](C)c2nc3ccccc3n2C(F)F)cc1-c1nnn[n-]1 ZINC000826202434 607532855 /nfs/dbraw/zinc/53/28/55/607532855.db2.gz ZTEMVEPBEMJRGZ-NSHDSACASA-N -1 3 399.405 3.471 20 0 GGADHM CN(CCC(=O)N1CCc2ccccc21)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727096 601902611 /nfs/dbraw/zinc/90/26/11/601902611.db2.gz KGYGYOBRSMMVOA-LJQANCHMSA-N -1 3 392.377 3.141 20 0 GGADHM Cc1ccc(C)c(OC[C@H](O)CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832926453 601905089 /nfs/dbraw/zinc/90/50/89/601905089.db2.gz QQRIKLKPFBBJGO-KUHUBIRLSA-N -1 3 397.393 3.218 20 0 GGADHM COc1ccc(COCCN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832362212 601905309 /nfs/dbraw/zinc/90/53/09/601905309.db2.gz ABFKTSVICOUBBJ-SFHVURJKSA-N -1 3 383.366 3.387 20 0 GGADHM CN(CCC(=O)NCC1CCCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727056 601906591 /nfs/dbraw/zinc/90/65/91/601906591.db2.gz IAJJGXKZHFDBNR-GOSISDBHSA-N -1 3 386.414 3.248 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CN1Cc1ccccc1 ZINC000828177177 601930172 /nfs/dbraw/zinc/93/01/72/601930172.db2.gz OTTGGJSNWHOCOC-JSGCOSHPSA-N -1 3 389.402 3.448 20 0 GGADHM COc1ccc(CSCCOCCOc2ccccc2)cc1-c1nnn[n-]1 ZINC000826208047 607534317 /nfs/dbraw/zinc/53/43/17/607534317.db2.gz QQJBNCSGFWDDTN-UHFFFAOYSA-N -1 3 386.477 3.204 20 0 GGADHM COc1ccc(CSCCOCCOc2ccccc2)cc1-c1nn[n-]n1 ZINC000826208047 607534318 /nfs/dbraw/zinc/53/43/18/607534318.db2.gz QQJBNCSGFWDDTN-UHFFFAOYSA-N -1 3 386.477 3.204 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000263215253 601937374 /nfs/dbraw/zinc/93/73/74/601937374.db2.gz XIJBSLRRKMMROW-TZIWHRDSSA-N -1 3 386.879 3.342 20 0 GGADHM C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263157657 601937415 /nfs/dbraw/zinc/93/74/15/601937415.db2.gz OIFMHIKQRMWFDO-AOMKIAJQSA-N -1 3 382.460 3.389 20 0 GGADHM CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000829684137 601940806 /nfs/dbraw/zinc/94/08/06/601940806.db2.gz PMJNDFGNMDLHMG-ZDUSSCGKSA-N -1 3 396.534 3.328 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000833156911 601942799 /nfs/dbraw/zinc/94/27/99/601942799.db2.gz KLYXVZCUDPQSRE-UHFFFAOYSA-N -1 3 377.441 3.372 20 0 GGADHM Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1F ZINC000832932210 601942992 /nfs/dbraw/zinc/94/29/92/601942992.db2.gz DDEHTGJTWKXBHB-UHFFFAOYSA-N -1 3 390.480 3.422 20 0 GGADHM O=C([O-])c1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 ZINC000833314433 601944032 /nfs/dbraw/zinc/94/40/32/601944032.db2.gz HZESRMIOYYSOQP-UHFFFAOYSA-N -1 3 376.453 3.114 20 0 GGADHM O=C([O-])c1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000833313249 601944196 /nfs/dbraw/zinc/94/41/96/601944196.db2.gz QLAYPTAKPLYVIY-NSHDSACASA-N -1 3 379.869 3.345 20 0 GGADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000263198654 601945562 /nfs/dbraw/zinc/94/55/62/601945562.db2.gz UTDZEUAVEDFTCF-HSZRJFAPSA-N -1 3 380.488 3.121 20 0 GGADHM CN(Cc1ccc(C(=O)[O-])s1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000830819513 601955650 /nfs/dbraw/zinc/95/56/50/601955650.db2.gz SASRQAKOHULDOW-GFCCVEGCSA-N -1 3 389.395 3.337 20 0 GGADHM COc1ccc(C(=O)NCCN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000832174710 601973207 /nfs/dbraw/zinc/97/32/07/601973207.db2.gz LEMSZCVAKSRPFF-INIZCTEOSA-N -1 3 397.258 3.147 20 0 GGADHM O=C([O-])[C@@H](NCCNC(=O)c1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000833141477 601973933 /nfs/dbraw/zinc/97/39/33/601973933.db2.gz XJHKBKVPCGORCK-HNNXBMFYSA-N -1 3 385.222 3.278 20 0 GGADHM Cc1ccc(C(=O)NCCN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000832912182 601974569 /nfs/dbraw/zinc/97/45/69/601974569.db2.gz XFUZNXSOSIDKLQ-INIZCTEOSA-N -1 3 381.259 3.447 20 0 GGADHM O=C([O-])[C@H](NCCNC(=O)Cc1cccc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000833117324 601975024 /nfs/dbraw/zinc/97/50/24/601975024.db2.gz JRLNPHZGTQYFGM-QGZVFWFLSA-N -1 3 399.249 3.207 20 0 GGADHM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2csc3ccccc23)cc1 ZINC000833261617 601976437 /nfs/dbraw/zinc/97/64/37/601976437.db2.gz DSGXSIDWXADTMZ-UHFFFAOYSA-N -1 3 389.498 3.191 20 0 GGADHM COC(=O)COc1cccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000831184352 601976493 /nfs/dbraw/zinc/97/64/93/601976493.db2.gz BGBQUHBDOZSTNT-QGZVFWFLSA-N -1 3 398.242 3.461 20 0 GGADHM O=C([O-])[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000833167880 601978745 /nfs/dbraw/zinc/97/87/45/601978745.db2.gz RMHAZWSAOVIFMJ-CVEARBPZSA-N -1 3 385.291 3.500 20 0 GGADHM COc1ccc(COc2ccc(C=O)cc2Br)cc1-c1nnn[n-]1 ZINC000826207481 607539057 /nfs/dbraw/zinc/53/90/57/607539057.db2.gz PNAXHPAHRPUDIM-UHFFFAOYSA-N -1 3 389.209 3.029 20 0 GGADHM COc1ccc(COc2ccc(C=O)cc2Br)cc1-c1nn[n-]n1 ZINC000826207481 607539058 /nfs/dbraw/zinc/53/90/58/607539058.db2.gz PNAXHPAHRPUDIM-UHFFFAOYSA-N -1 3 389.209 3.029 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC000828168099 602023377 /nfs/dbraw/zinc/02/33/77/602023377.db2.gz MHAGKGQSDOVTDT-SJLPKXTDSA-N -1 3 391.471 3.119 20 0 GGADHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829759035 602027732 /nfs/dbraw/zinc/02/77/32/602027732.db2.gz GTXSQMGIUCQOCF-CABCVRRESA-N -1 3 385.386 3.494 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828178038 602039225 /nfs/dbraw/zinc/03/92/25/602039225.db2.gz ZAUTWLXSKURISR-JXFKEZNVSA-N -1 3 381.476 3.488 20 0 GGADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000833170249 602042600 /nfs/dbraw/zinc/04/26/00/602042600.db2.gz GMLPRHBKHWHLQV-BLLLJJGKSA-N -1 3 385.291 3.454 20 0 GGADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000833170260 602043066 /nfs/dbraw/zinc/04/30/66/602043066.db2.gz GMLPRHBKHWHLQV-WBMJQRKESA-N -1 3 385.291 3.454 20 0 GGADHM Cc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863249 602049416 /nfs/dbraw/zinc/04/94/16/602049416.db2.gz MJAWOKPOUKBQAH-PXNSSMCTSA-N -1 3 396.487 3.160 20 0 GGADHM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000828982303 602131141 /nfs/dbraw/zinc/13/11/41/602131141.db2.gz BGBIFHZBFUTLQZ-PCCBWWKXSA-N -1 3 386.467 3.221 20 0 GGADHM COc1ccc(CNc2ccc(Br)c(F)c2)cc1-c1nnn[n-]1 ZINC000826203745 607551177 /nfs/dbraw/zinc/55/11/77/607551177.db2.gz DMEVFFDVGYJKBH-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(CNc2ccc(Br)c(F)c2)cc1-c1nn[n-]n1 ZINC000826203745 607551179 /nfs/dbraw/zinc/55/11/79/607551179.db2.gz DMEVFFDVGYJKBH-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(CNc2cc3c(cc2Cl)OCCCO3)cc1-c1nnn[n-]1 ZINC000826203736 607547436 /nfs/dbraw/zinc/54/74/36/607547436.db2.gz DJIZRUPCZZAGHN-UHFFFAOYSA-N -1 3 387.827 3.302 20 0 GGADHM COc1ccc(CNc2cc3c(cc2Cl)OCCCO3)cc1-c1nn[n-]n1 ZINC000826203736 607547437 /nfs/dbraw/zinc/54/74/37/607547437.db2.gz DJIZRUPCZZAGHN-UHFFFAOYSA-N -1 3 387.827 3.302 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)C(=O)[O-])c1 ZINC000832049875 602166740 /nfs/dbraw/zinc/16/67/40/602166740.db2.gz KVDUEXFCELHYEE-YUNKPMOVSA-N -1 3 384.432 3.065 20 0 GGADHM COc1cc(OC)cc([C@@H](NCc2ccc(N3CCCCC3)nc2)C(=O)[O-])c1 ZINC000832058332 602167983 /nfs/dbraw/zinc/16/79/83/602167983.db2.gz ZFQAJPWJROBLRP-HXUWFJFHSA-N -1 3 385.464 3.005 20 0 GGADHM COc1cc(OC)cc([C@H](NCc2ccc(Br)cc2)C(=O)[O-])c1 ZINC000832057669 602171875 /nfs/dbraw/zinc/17/18/75/602171875.db2.gz QQEOZLXABZAOKK-INIZCTEOSA-N -1 3 380.238 3.382 20 0 GGADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(-n3cccn3)cc2)C(=O)[O-])c1 ZINC000832050342 602176199 /nfs/dbraw/zinc/17/61/99/602176199.db2.gz PHRWKSMSSPIUMK-XOBRGWDASA-N -1 3 381.432 3.366 20 0 GGADHM COc1ccc([C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccc(C)cc2)cc1 ZINC000826189168 607549045 /nfs/dbraw/zinc/54/90/45/607549045.db2.gz OUXIETZLNQYECO-NRFANRHFSA-N -1 3 386.459 3.458 20 0 GGADHM COC(=O)[C@H](OC(=O)CC[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826116908 607552975 /nfs/dbraw/zinc/55/29/75/607552975.db2.gz FJQHPVLDBMKEME-AUUYWEPGSA-N -1 3 394.431 3.208 20 0 GGADHM COC(=O)[C@H](OC(=O)CC[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826116908 607552977 /nfs/dbraw/zinc/55/29/77/607552977.db2.gz FJQHPVLDBMKEME-AUUYWEPGSA-N -1 3 394.431 3.208 20 0 GGADHM C[C@@H](CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824713888 607553001 /nfs/dbraw/zinc/55/30/01/607553001.db2.gz KLEJJDXBWFBOGW-GJZGRUSLSA-N -1 3 393.447 3.321 20 0 GGADHM C[C@@H](CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824713888 607553003 /nfs/dbraw/zinc/55/30/03/607553003.db2.gz KLEJJDXBWFBOGW-GJZGRUSLSA-N -1 3 393.447 3.321 20 0 GGADHM C[C@H](CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824713887 607553214 /nfs/dbraw/zinc/55/32/14/607553214.db2.gz KLEJJDXBWFBOGW-CABCVRRESA-N -1 3 393.447 3.321 20 0 GGADHM C[C@H](CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824713887 607553216 /nfs/dbraw/zinc/55/32/16/607553216.db2.gz KLEJJDXBWFBOGW-CABCVRRESA-N -1 3 393.447 3.321 20 0 GGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000828672224 602221995 /nfs/dbraw/zinc/22/19/95/602221995.db2.gz OQVXGETVRWCPKN-LJQANCHMSA-N -1 3 375.494 3.366 20 0 GGADHM CC[C@](C)(CC(=O)[O-])NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000828672430 602222165 /nfs/dbraw/zinc/22/21/65/602222165.db2.gz RVNUGBDIJPCRSQ-CQSZACIVSA-N -1 3 391.781 3.068 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000830369640 602242026 /nfs/dbraw/zinc/24/20/26/602242026.db2.gz QTAKSHNIGKJSBO-UHFFFAOYSA-N -1 3 388.464 3.270 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2cc(C)sc2C)cc1-c1nnn[n-]1 ZINC000826198549 607557484 /nfs/dbraw/zinc/55/74/84/607557484.db2.gz BKRZNUZAKHFIPX-LLVKDONJSA-N -1 3 386.481 3.114 20 0 GGADHM COc1ccc(CNC(=O)N[C@H](C)c2cc(C)sc2C)cc1-c1nn[n-]n1 ZINC000826198549 607557486 /nfs/dbraw/zinc/55/74/86/607557486.db2.gz BKRZNUZAKHFIPX-LLVKDONJSA-N -1 3 386.481 3.114 20 0 GGADHM COc1ccc(CNc2nc(-c3cccc(Cl)c3)no2)cc1-c1nnn[n-]1 ZINC000826204732 607559064 /nfs/dbraw/zinc/55/90/64/607559064.db2.gz XIKDSCOZGITPFY-UHFFFAOYSA-N -1 3 383.799 3.191 20 0 GGADHM COc1ccc(CNc2nc(-c3cccc(Cl)c3)no2)cc1-c1nn[n-]n1 ZINC000826204732 607559065 /nfs/dbraw/zinc/55/90/65/607559065.db2.gz XIKDSCOZGITPFY-UHFFFAOYSA-N -1 3 383.799 3.191 20 0 GGADHM COc1ccc(CNc2cc(-c3nc(C(C)C)no3)ccn2)cc1-c1nnn[n-]1 ZINC000826203481 607559253 /nfs/dbraw/zinc/55/92/53/607559253.db2.gz QJAHGIDSPIQKTJ-UHFFFAOYSA-N -1 3 392.423 3.056 20 0 GGADHM COc1ccc(CNc2cc(-c3nc(C(C)C)no3)ccn2)cc1-c1nn[n-]n1 ZINC000826203481 607559254 /nfs/dbraw/zinc/55/92/54/607559254.db2.gz QJAHGIDSPIQKTJ-UHFFFAOYSA-N -1 3 392.423 3.056 20 0 GGADHM COC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000826151169 607560021 /nfs/dbraw/zinc/56/00/21/607560021.db2.gz VIXDTPMTULWVEK-QGZVFWFLSA-N -1 3 394.435 3.206 20 0 GGADHM COC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000826151169 607560023 /nfs/dbraw/zinc/56/00/23/607560023.db2.gz VIXDTPMTULWVEK-QGZVFWFLSA-N -1 3 394.435 3.206 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc2c(n1)CCCC2 ZINC000825609511 607565644 /nfs/dbraw/zinc/56/56/44/607565644.db2.gz OFOAGPFSZFLTQC-UHFFFAOYSA-N -1 3 399.838 3.412 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc2c(n1)CCCC2 ZINC000825609511 607565646 /nfs/dbraw/zinc/56/56/46/607565646.db2.gz OFOAGPFSZFLTQC-UHFFFAOYSA-N -1 3 399.838 3.412 20 0 GGADHM CN(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830508267 602364539 /nfs/dbraw/zinc/36/45/39/602364539.db2.gz UTUVAELYNUWUNT-IBGZPJMESA-N -1 3 397.475 3.278 20 0 GGADHM CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830500694 602365385 /nfs/dbraw/zinc/36/53/85/602365385.db2.gz VNVKXPFXENKKNP-IBGZPJMESA-N -1 3 382.464 3.192 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825782844 607562575 /nfs/dbraw/zinc/56/25/75/607562575.db2.gz RLEWRYFDVNAPQS-SFHVURJKSA-N -1 3 378.480 3.123 20 0 GGADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825782844 607562577 /nfs/dbraw/zinc/56/25/77/607562577.db2.gz RLEWRYFDVNAPQS-SFHVURJKSA-N -1 3 378.480 3.123 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CCc3c2cccc3Cl)cc1-c1nnn[n-]1 ZINC000826198791 607562938 /nfs/dbraw/zinc/56/29/38/607562938.db2.gz IYHPNVVZYIPDTO-MRXNPFEDSA-N -1 3 398.854 3.015 20 0 GGADHM COc1ccc(CNC(=O)N[C@@H]2CCc3c2cccc3Cl)cc1-c1nn[n-]n1 ZINC000826198791 607562939 /nfs/dbraw/zinc/56/29/39/607562939.db2.gz IYHPNVVZYIPDTO-MRXNPFEDSA-N -1 3 398.854 3.015 20 0 GGADHM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)N1CCc2ccccc2C1 ZINC000828884691 602375760 /nfs/dbraw/zinc/37/57/60/602375760.db2.gz YYLOXSWENLZENO-QGZVFWFLSA-N -1 3 385.439 3.482 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830604058 602389844 /nfs/dbraw/zinc/38/98/44/602389844.db2.gz FFZVDWCTVFWWBJ-UHFFFAOYSA-N -1 3 395.381 3.398 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825782647 607564185 /nfs/dbraw/zinc/56/41/85/607564185.db2.gz KBQBJBDNOKOJFL-RDTXWAMCSA-N -1 3 393.495 3.434 20 0 GGADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825782647 607564186 /nfs/dbraw/zinc/56/41/86/607564186.db2.gz KBQBJBDNOKOJFL-RDTXWAMCSA-N -1 3 393.495 3.434 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCc2ncccc2C1 ZINC000826474155 607564771 /nfs/dbraw/zinc/56/47/71/607564771.db2.gz CTSWWOMIRDJITH-UHFFFAOYSA-N -1 3 398.426 3.253 20 0 GGADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCc2ncccc2C1 ZINC000826474155 607564772 /nfs/dbraw/zinc/56/47/72/607564772.db2.gz CTSWWOMIRDJITH-UHFFFAOYSA-N -1 3 398.426 3.253 20 0 GGADHM CN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830495636 602401230 /nfs/dbraw/zinc/40/12/30/602401230.db2.gz ILOZWPQJKLQCQW-GOSISDBHSA-N -1 3 391.471 3.072 20 0 GGADHM CN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830495637 602401250 /nfs/dbraw/zinc/40/12/50/602401250.db2.gz ILOZWPQJKLQCQW-SFHVURJKSA-N -1 3 391.471 3.072 20 0 GGADHM Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832860093 602401262 /nfs/dbraw/zinc/40/12/62/602401262.db2.gz VWZWSRDLFMBNSA-HXUWFJFHSA-N -1 3 396.487 3.113 20 0 GGADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2c(n1)CCCC2 ZINC000824324602 607565291 /nfs/dbraw/zinc/56/52/91/607565291.db2.gz RBZHMFUKDCDTQD-UHFFFAOYSA-N -1 3 378.436 3.180 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2c(n1)CCCC2 ZINC000824324602 607565292 /nfs/dbraw/zinc/56/52/92/607565292.db2.gz RBZHMFUKDCDTQD-UHFFFAOYSA-N -1 3 378.436 3.180 20 0 GGADHM CC1=C(C(=O)Nc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000824853120 607573472 /nfs/dbraw/zinc/57/34/72/607573472.db2.gz VZWPCKSPYFETDC-UHFFFAOYSA-N -1 3 399.505 3.449 20 0 GGADHM CC1=C(C(=O)Nc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000824853120 607573473 /nfs/dbraw/zinc/57/34/73/607573473.db2.gz VZWPCKSPYFETDC-UHFFFAOYSA-N -1 3 399.505 3.449 20 0 GGADHM Cc1cccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1C ZINC000826300380 607575982 /nfs/dbraw/zinc/57/59/82/607575982.db2.gz SLUMQBFTAVNFAE-UHFFFAOYSA-N -1 3 398.366 3.270 20 0 GGADHM COc1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826196724 607579699 /nfs/dbraw/zinc/57/96/99/607579699.db2.gz MITIOOSCOKNXGL-INIZCTEOSA-N -1 3 377.448 3.002 20 0 GGADHM COc1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826196724 607579701 /nfs/dbraw/zinc/57/97/01/607579701.db2.gz MITIOOSCOKNXGL-INIZCTEOSA-N -1 3 377.448 3.002 20 0 GGADHM O=C([O-])Nc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000738660417 602688240 /nfs/dbraw/zinc/68/82/40/602688240.db2.gz JPOIDKPQGLJKGJ-UHFFFAOYSA-N -1 3 377.510 3.258 20 0 GGADHM COc1ccc(CNC(=O)C=C(C)c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826196797 607582453 /nfs/dbraw/zinc/58/24/53/607582453.db2.gz OFEIFFYMWOBNAN-FMIVXFBMSA-N -1 3 383.839 3.248 20 0 GGADHM COc1ccc(CNC(=O)C=C(C)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826196797 607582454 /nfs/dbraw/zinc/58/24/54/607582454.db2.gz OFEIFFYMWOBNAN-FMIVXFBMSA-N -1 3 383.839 3.248 20 0 GGADHM COc1ccc(CNC(=O)c2occc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826202377 607591406 /nfs/dbraw/zinc/59/14/06/607591406.db2.gz YNJOKBREDVMAPZ-UHFFFAOYSA-N -1 3 375.388 3.065 20 0 GGADHM COc1ccc(CNC(=O)c2occc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826202377 607591408 /nfs/dbraw/zinc/59/14/08/607591408.db2.gz YNJOKBREDVMAPZ-UHFFFAOYSA-N -1 3 375.388 3.065 20 0 GGADHM COc1ccc(COC(=O)CSc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826205920 607593914 /nfs/dbraw/zinc/59/39/14/607593914.db2.gz UFBKEMVLFXXSHL-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM COc1ccc(COC(=O)CSc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826205920 607593916 /nfs/dbraw/zinc/59/39/16/607593916.db2.gz UFBKEMVLFXXSHL-UHFFFAOYSA-N -1 3 390.852 3.364 20 0 GGADHM COc1ccc(COC(=O)C=Cc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000826205339 607595245 /nfs/dbraw/zinc/59/52/45/607595245.db2.gz SFXUSECZGGHLJC-LUAWRHEFSA-N -1 3 387.399 3.180 20 0 GGADHM COc1ccc(COC(=O)C=Cc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000826205339 607595247 /nfs/dbraw/zinc/59/52/47/607595247.db2.gz SFXUSECZGGHLJC-LUAWRHEFSA-N -1 3 387.399 3.180 20 0 GGADHM COc1ccc(COC(=O)Cc2coc3cc(C)ccc23)cc1-c1nnn[n-]1 ZINC000826205656 607596225 /nfs/dbraw/zinc/59/62/25/607596225.db2.gz FWNDWIBRAUDFKJ-UHFFFAOYSA-N -1 3 378.388 3.216 20 0 GGADHM COc1ccc(COC(=O)Cc2coc3cc(C)ccc23)cc1-c1nn[n-]n1 ZINC000826205656 607596227 /nfs/dbraw/zinc/59/62/27/607596227.db2.gz FWNDWIBRAUDFKJ-UHFFFAOYSA-N -1 3 378.388 3.216 20 0 GGADHM COc1ccc(COC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000826205317 607599081 /nfs/dbraw/zinc/59/90/81/607599081.db2.gz RPJOIKCNSXGAEF-UHFFFAOYSA-N -1 3 394.431 3.198 20 0 GGADHM COc1ccc(COC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000826205317 607599082 /nfs/dbraw/zinc/59/90/82/607599082.db2.gz RPJOIKCNSXGAEF-UHFFFAOYSA-N -1 3 394.431 3.198 20 0 GGADHM COc1ccc(COC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1-c1nnn[n-]1 ZINC000826205764 607602797 /nfs/dbraw/zinc/60/27/97/607602797.db2.gz LSCSQQXLEWFWDN-UHFFFAOYSA-N -1 3 398.467 3.307 20 0 GGADHM COc1ccc(COC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1-c1nn[n-]n1 ZINC000826205764 607602800 /nfs/dbraw/zinc/60/28/00/607602800.db2.gz LSCSQQXLEWFWDN-UHFFFAOYSA-N -1 3 398.467 3.307 20 0 GGADHM COc1ccc(COC(=O)Cc2csc3ccccc23)cc1-c1nnn[n-]1 ZINC000826205654 607603005 /nfs/dbraw/zinc/60/30/05/607603005.db2.gz FSRATHJSUUCKDY-UHFFFAOYSA-N -1 3 380.429 3.376 20 0 GGADHM COc1ccc(COC(=O)Cc2csc3ccccc23)cc1-c1nn[n-]n1 ZINC000826205654 607603007 /nfs/dbraw/zinc/60/30/07/607603007.db2.gz FSRATHJSUUCKDY-UHFFFAOYSA-N -1 3 380.429 3.376 20 0 GGADHM COc1ccc(COC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1-c1nnn[n-]1 ZINC000826205642 607605805 /nfs/dbraw/zinc/60/58/05/607605805.db2.gz DYWZLJDNGCZKAO-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM COc1ccc(COC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1-c1nn[n-]n1 ZINC000826205642 607605808 /nfs/dbraw/zinc/60/58/08/607605808.db2.gz DYWZLJDNGCZKAO-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM COc1ccc(COC(=O)[C@H](C)CSc2ccccc2)cc1-c1nnn[n-]1 ZINC000826204640 607606858 /nfs/dbraw/zinc/60/68/58/607606858.db2.gz SYASZOBJERFUJS-CYBMUJFWSA-N -1 3 384.461 3.347 20 0 GGADHM COc1ccc(COC(=O)[C@H](C)CSc2ccccc2)cc1-c1nn[n-]n1 ZINC000826204640 607606859 /nfs/dbraw/zinc/60/68/59/607606859.db2.gz SYASZOBJERFUJS-CYBMUJFWSA-N -1 3 384.461 3.347 20 0 GGADHM COc1ccc(COC(=O)c2ccccc2OC2CCC2)cc1-c1nnn[n-]1 ZINC000826206481 607608032 /nfs/dbraw/zinc/60/80/32/607608032.db2.gz VPGMHOYKTUCOTM-UHFFFAOYSA-N -1 3 380.404 3.164 20 0 GGADHM COc1ccc(COC(=O)c2ccccc2OC2CCC2)cc1-c1nn[n-]n1 ZINC000826206481 607608034 /nfs/dbraw/zinc/60/80/34/607608034.db2.gz VPGMHOYKTUCOTM-UHFFFAOYSA-N -1 3 380.404 3.164 20 0 GGADHM COc1ccc(COC(=O)C=Cc2cnc(C(C)(C)C)s2)cc1-c1nnn[n-]1 ZINC000826204825 607611178 /nfs/dbraw/zinc/61/11/78/607611178.db2.gz APWZTWSKYUZFHV-VURMDHGXSA-N -1 3 399.476 3.386 20 0 GGADHM COc1ccc(COC(=O)C=Cc2cnc(C(C)(C)C)s2)cc1-c1nn[n-]n1 ZINC000826204825 607611180 /nfs/dbraw/zinc/61/11/80/607611180.db2.gz APWZTWSKYUZFHV-VURMDHGXSA-N -1 3 399.476 3.386 20 0 GGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825159611 607611642 /nfs/dbraw/zinc/61/16/42/607611642.db2.gz QSAWOGCOTGZPSU-KRWDZBQOSA-N -1 3 382.420 3.085 20 0 GGADHM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825159611 607611644 /nfs/dbraw/zinc/61/16/44/607611644.db2.gz QSAWOGCOTGZPSU-KRWDZBQOSA-N -1 3 382.420 3.085 20 0 GGADHM COc1ccc(COC(=O)[C@H](C)c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000826204198 607612210 /nfs/dbraw/zinc/61/22/10/607612210.db2.gz BEONQNSCSGXNEX-SECBINFHSA-N -1 3 378.841 3.437 20 0 GGADHM COc1ccc(COC(=O)[C@H](C)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000826204198 607612212 /nfs/dbraw/zinc/61/22/12/607612212.db2.gz BEONQNSCSGXNEX-SECBINFHSA-N -1 3 378.841 3.437 20 0 GGADHM COc1ccc(COC(=O)c2cnc3ccccc3c2C)cc1-c1nnn[n-]1 ZINC000826206332 607612825 /nfs/dbraw/zinc/61/28/25/607612825.db2.gz NSCNWVVSECFCFU-UHFFFAOYSA-N -1 3 375.388 3.089 20 0 GGADHM COc1ccc(COC(=O)c2cnc3ccccc3c2C)cc1-c1nn[n-]n1 ZINC000826206332 607612826 /nfs/dbraw/zinc/61/28/26/607612826.db2.gz NSCNWVVSECFCFU-UHFFFAOYSA-N -1 3 375.388 3.089 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2ccccc2)ns1 ZINC000826464743 607614327 /nfs/dbraw/zinc/61/43/27/607614327.db2.gz KPNZDFYBSMPUMH-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2ccccc2)ns1 ZINC000826464743 607614328 /nfs/dbraw/zinc/61/43/28/607614328.db2.gz KPNZDFYBSMPUMH-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCCN(C(=O)[O-])C3)c2)cc1 ZINC000737932367 603246609 /nfs/dbraw/zinc/24/66/09/603246609.db2.gz RUUXNVKVYOAGFI-GOSISDBHSA-N -1 3 383.448 3.180 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506172 607617973 /nfs/dbraw/zinc/61/79/73/607617973.db2.gz MFNRPCWMEUNDNC-SNVBAGLBSA-N -1 3 398.377 3.494 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506172 607617975 /nfs/dbraw/zinc/61/79/75/607617975.db2.gz MFNRPCWMEUNDNC-SNVBAGLBSA-N -1 3 398.377 3.494 20 0 GGADHM COc1ccc(CNC(=O)NC(C)(C)Cc2ccccc2C)cc1-c1nnn[n-]1 ZINC000826198680 607622302 /nfs/dbraw/zinc/62/23/02/607622302.db2.gz FVXYJEMRBDBERL-UHFFFAOYSA-N -1 3 394.479 3.004 20 0 GGADHM COc1ccc(CNC(=O)NC(C)(C)Cc2ccccc2C)cc1-c1nn[n-]n1 ZINC000826198680 607622304 /nfs/dbraw/zinc/62/23/04/607622304.db2.gz FVXYJEMRBDBERL-UHFFFAOYSA-N -1 3 394.479 3.004 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825220784 607624153 /nfs/dbraw/zinc/62/41/53/607624153.db2.gz WUGBCXJQYVRWJD-SFHVURJKSA-N -1 3 392.463 3.094 20 0 GGADHM CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825220784 607624155 /nfs/dbraw/zinc/62/41/55/607624155.db2.gz WUGBCXJQYVRWJD-SFHVURJKSA-N -1 3 392.463 3.094 20 0 GGADHM CCc1ccc(C(C)(C)NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825704172 607625634 /nfs/dbraw/zinc/62/56/34/607625634.db2.gz CYFWHZALJDICJQ-UHFFFAOYSA-N -1 3 394.479 3.172 20 0 GGADHM CCc1ccc(C(C)(C)NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825704172 607625635 /nfs/dbraw/zinc/62/56/35/607625635.db2.gz CYFWHZALJDICJQ-UHFFFAOYSA-N -1 3 394.479 3.172 20 0 GGADHM COc1ccc(CN(C)C)cc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737996037 603464961 /nfs/dbraw/zinc/46/49/61/603464961.db2.gz XBAOXXLYEVSPGQ-UHFFFAOYSA-N -1 3 386.452 3.211 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000824045902 607636177 /nfs/dbraw/zinc/63/61/77/607636177.db2.gz OWOZHLBCDGNPSR-PXAZEXFGSA-N -1 3 382.855 3.294 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000824045902 607636178 /nfs/dbraw/zinc/63/61/78/607636178.db2.gz OWOZHLBCDGNPSR-PXAZEXFGSA-N -1 3 382.855 3.294 20 0 GGADHM Cc1oc(NC(=O)CN([C@H](C)c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826341919 607643416 /nfs/dbraw/zinc/64/34/16/607643416.db2.gz SWIUQQBCLPFOPH-CYBMUJFWSA-N -1 3 380.452 3.241 20 0 GGADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc(-c2ccccn2)c1 ZINC000826483125 607645062 /nfs/dbraw/zinc/64/50/62/607645062.db2.gz BWNIMQBRUROVAS-CPNJWEJPSA-N -1 3 394.394 3.273 20 0 GGADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc(-c2ccccn2)c1 ZINC000826483125 607645064 /nfs/dbraw/zinc/64/50/64/607645064.db2.gz BWNIMQBRUROVAS-CPNJWEJPSA-N -1 3 394.394 3.273 20 0 GGADHM Nc1nnc(-c2cccc(-c3nc(-c4cccc(-c5nnn[n-]5)c4)cs3)c2)o1 ZINC000826396541 607645311 /nfs/dbraw/zinc/64/53/11/607645311.db2.gz CGGVIWUQSCPDBB-UHFFFAOYSA-N -1 3 388.416 3.289 20 0 GGADHM Nc1nnc(-c2cccc(-c3nc(-c4cccc(-c5nn[n-]n5)c4)cs3)c2)o1 ZINC000826396541 607645313 /nfs/dbraw/zinc/64/53/13/607645313.db2.gz CGGVIWUQSCPDBB-UHFFFAOYSA-N -1 3 388.416 3.289 20 0 GGADHM COc1cccc(N(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC(C)C)c1 ZINC000826216698 607644626 /nfs/dbraw/zinc/64/46/26/607644626.db2.gz KDSXZAFRYOUXQO-UHFFFAOYSA-N -1 3 398.467 3.186 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000826248947 607653927 /nfs/dbraw/zinc/65/39/27/607653927.db2.gz DJPPDOBHICOIDZ-UHFFFAOYSA-N -1 3 398.879 3.411 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000826248947 607653928 /nfs/dbraw/zinc/65/39/28/607653928.db2.gz DJPPDOBHICOIDZ-UHFFFAOYSA-N -1 3 398.879 3.411 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000826248730 607650084 /nfs/dbraw/zinc/65/00/84/607650084.db2.gz UXJKBWYGAKVVEW-UHFFFAOYSA-N -1 3 375.354 3.166 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000826248730 607650086 /nfs/dbraw/zinc/65/00/86/607650086.db2.gz UXJKBWYGAKVVEW-UHFFFAOYSA-N -1 3 375.354 3.166 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826316270 607650510 /nfs/dbraw/zinc/65/05/10/607650510.db2.gz ITJUYAQMXLVWSH-HZPDHXFCSA-N -1 3 399.545 3.390 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826316270 607650511 /nfs/dbraw/zinc/65/05/11/607650511.db2.gz ITJUYAQMXLVWSH-HZPDHXFCSA-N -1 3 399.545 3.390 20 0 GGADHM CN(C(=O)CCSCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825818278 607652599 /nfs/dbraw/zinc/65/25/99/607652599.db2.gz ZOBFLESKTXIFOF-UHFFFAOYSA-N -1 3 383.477 3.032 20 0 GGADHM CN(C(=O)CCSCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825818278 607652601 /nfs/dbraw/zinc/65/26/01/607652601.db2.gz ZOBFLESKTXIFOF-UHFFFAOYSA-N -1 3 383.477 3.032 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000826247068 607658383 /nfs/dbraw/zinc/65/83/83/607658383.db2.gz SHMAEDWCTYDJHX-KRWDZBQOSA-N -1 3 375.436 3.179 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000826247068 607658385 /nfs/dbraw/zinc/65/83/85/607658385.db2.gz SHMAEDWCTYDJHX-KRWDZBQOSA-N -1 3 375.436 3.179 20 0 GGADHM O=C(CSc1nnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421444 607658667 /nfs/dbraw/zinc/65/86/67/607658667.db2.gz ILQJNBJSRWYELY-UHFFFAOYSA-N -1 3 380.458 3.360 20 0 GGADHM O=C(CSc1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421444 607658669 /nfs/dbraw/zinc/65/86/69/607658669.db2.gz ILQJNBJSRWYELY-UHFFFAOYSA-N -1 3 380.458 3.360 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826158492 607661251 /nfs/dbraw/zinc/66/12/51/607661251.db2.gz RNDBQXXWFSPDFZ-SJORKVTESA-N -1 3 397.504 3.015 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826158492 607661253 /nfs/dbraw/zinc/66/12/53/607661253.db2.gz RNDBQXXWFSPDFZ-SJORKVTESA-N -1 3 397.504 3.015 20 0 GGADHM Cc1cccc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)c1-c1nnn[n-]1 ZINC000826304049 607663068 /nfs/dbraw/zinc/66/30/68/607663068.db2.gz SWMLLPMXRMPJIM-UHFFFAOYSA-N -1 3 399.457 3.066 20 0 GGADHM CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000825224683 607669178 /nfs/dbraw/zinc/66/91/78/607669178.db2.gz BGHZXXRBHVPXKP-UHFFFAOYSA-N -1 3 378.436 3.474 20 0 GGADHM CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000825224683 607669179 /nfs/dbraw/zinc/66/91/79/607669179.db2.gz BGHZXXRBHVPXKP-UHFFFAOYSA-N -1 3 378.436 3.474 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000824193199 607672930 /nfs/dbraw/zinc/67/29/30/607672930.db2.gz UWEQDSLOXMNRGP-AWEZNQCLSA-N -1 3 378.358 3.341 20 0 GGADHM CC(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000824193199 607672932 /nfs/dbraw/zinc/67/29/32/607672932.db2.gz UWEQDSLOXMNRGP-AWEZNQCLSA-N -1 3 378.358 3.341 20 0 GGADHM c1ccc(N2CCC(Nc3ncnc4c3CCCCC4)CC2)c(-c2nnn[n-]2)c1 ZINC000826521845 607674194 /nfs/dbraw/zinc/67/41/94/607674194.db2.gz ASOMEEIVDSZACP-UHFFFAOYSA-N -1 3 390.495 3.007 20 0 GGADHM c1ccc(N2CCC(Nc3ncnc4c3CCCCC4)CC2)c(-c2nn[n-]n2)c1 ZINC000826521845 607674196 /nfs/dbraw/zinc/67/41/96/607674196.db2.gz ASOMEEIVDSZACP-UHFFFAOYSA-N -1 3 390.495 3.007 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000826250026 607678263 /nfs/dbraw/zinc/67/82/63/607678263.db2.gz GRKARYQLHLERRG-UHFFFAOYSA-N -1 3 394.504 3.289 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000826250026 607678265 /nfs/dbraw/zinc/67/82/65/607678265.db2.gz GRKARYQLHLERRG-UHFFFAOYSA-N -1 3 394.504 3.289 20 0 GGADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000826352973 607681531 /nfs/dbraw/zinc/68/15/31/607681531.db2.gz WEPITQLSZCRSMI-QWHCGFSZSA-N -1 3 384.871 3.321 20 0 GGADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000826352973 607681534 /nfs/dbraw/zinc/68/15/34/607681534.db2.gz WEPITQLSZCRSMI-QWHCGFSZSA-N -1 3 384.871 3.321 20 0 GGADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000826263417 607681593 /nfs/dbraw/zinc/68/15/93/607681593.db2.gz AKSVMBHXSRVRDH-CVEARBPZSA-N -1 3 378.480 3.285 20 0 GGADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000826263417 607681594 /nfs/dbraw/zinc/68/15/94/607681594.db2.gz AKSVMBHXSRVRDH-CVEARBPZSA-N -1 3 378.480 3.285 20 0 GGADHM CCN1CCN(c2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)c(C)c2)CC1 ZINC000829780173 604269484 /nfs/dbraw/zinc/26/94/84/604269484.db2.gz DJVYUDGXOWGVAB-UHFFFAOYSA-N -1 3 384.480 3.032 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000826250748 607683521 /nfs/dbraw/zinc/68/35/21/607683521.db2.gz PZJJHHRBAPUXQQ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000826250748 607683523 /nfs/dbraw/zinc/68/35/23/607683523.db2.gz PZJJHHRBAPUXQQ-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830608965 604296530 /nfs/dbraw/zinc/29/65/30/604296530.db2.gz NEITVISSBLNXEY-UHFFFAOYSA-N -1 3 380.366 3.006 20 0 GGADHM COc1cccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)cc3C)CCCC2)c1 ZINC000826215147 607686070 /nfs/dbraw/zinc/68/60/70/607686070.db2.gz HYWJGSGXBNYRGE-UHFFFAOYSA-N -1 3 391.475 3.426 20 0 GGADHM COc1cccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)cc3C)CCCC2)c1 ZINC000826215147 607686071 /nfs/dbraw/zinc/68/60/71/607686071.db2.gz HYWJGSGXBNYRGE-UHFFFAOYSA-N -1 3 391.475 3.426 20 0 GGADHM CC[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccc(OC)cc1 ZINC000825080534 607687508 /nfs/dbraw/zinc/68/75/08/607687508.db2.gz ACXOFZNHQXLGAI-ZDUSSCGKSA-N -1 3 382.420 3.373 20 0 GGADHM CC[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(OC)cc1 ZINC000825080534 607687510 /nfs/dbraw/zinc/68/75/10/607687510.db2.gz ACXOFZNHQXLGAI-ZDUSSCGKSA-N -1 3 382.420 3.373 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2ccc(Br)cc21 ZINC000826245733 607689830 /nfs/dbraw/zinc/68/98/30/607689830.db2.gz GHTZRHGRVUJAOX-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2ccc(Br)cc21 ZINC000826245733 607689831 /nfs/dbraw/zinc/68/98/31/607689831.db2.gz GHTZRHGRVUJAOX-UHFFFAOYSA-N -1 3 384.237 3.141 20 0 GGADHM CC(C)Cc1ccc(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824280568 607689916 /nfs/dbraw/zinc/68/99/16/607689916.db2.gz OWPPAHIYCYYSEV-UHFFFAOYSA-N -1 3 397.504 3.033 20 0 GGADHM CC(C)Cc1ccc(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824280568 607689919 /nfs/dbraw/zinc/68/99/19/607689919.db2.gz OWPPAHIYCYYSEV-UHFFFAOYSA-N -1 3 397.504 3.033 20 0 GGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826316742 607690005 /nfs/dbraw/zinc/69/00/05/607690005.db2.gz XOAUYHOHILSSIB-HUUCEWRRSA-N -1 3 391.460 3.165 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826263242 607691381 /nfs/dbraw/zinc/69/13/81/607691381.db2.gz RDBGCWRAJMRLLE-UHFFFAOYSA-N -1 3 397.504 3.068 20 0 GGADHM Cc1cc(C)c(C)c(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826263242 607691382 /nfs/dbraw/zinc/69/13/82/607691382.db2.gz RDBGCWRAJMRLLE-UHFFFAOYSA-N -1 3 397.504 3.068 20 0 GGADHM CCc1oc(C(=O)[O-])cc1CN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000573733756 604423642 /nfs/dbraw/zinc/42/36/42/604423642.db2.gz KGLGKNRSLXYIDQ-UHFFFAOYSA-N -1 3 389.448 3.167 20 0 GGADHM COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC000566362164 604423862 /nfs/dbraw/zinc/42/38/62/604423862.db2.gz OGEZGCFZWLRAFN-UHFFFAOYSA-N -1 3 377.462 3.073 20 0 GGADHM COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826219639 607692128 /nfs/dbraw/zinc/69/21/28/607692128.db2.gz KVVHMTPFSGWRFU-UHFFFAOYSA-N -1 3 394.460 3.108 20 0 GGADHM COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826219639 607692129 /nfs/dbraw/zinc/69/21/29/607692129.db2.gz KVVHMTPFSGWRFU-UHFFFAOYSA-N -1 3 394.460 3.108 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000826095646 604454549 /nfs/dbraw/zinc/45/45/49/604454549.db2.gz MLYJVIMJNMIFAV-WOJBJXKFSA-N -1 3 395.503 3.412 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000826095640 604454734 /nfs/dbraw/zinc/45/47/34/604454734.db2.gz MLYJVIMJNMIFAV-PMACEKPBSA-N -1 3 395.503 3.412 20 0 GGADHM CN(C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000830580116 604455355 /nfs/dbraw/zinc/45/53/55/604455355.db2.gz DUNNLMFCWWKVHN-UXHICEINSA-N -1 3 397.519 3.311 20 0 GGADHM COc1ccc(NC(=O)CCN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000832395029 604455521 /nfs/dbraw/zinc/45/55/21/604455521.db2.gz ZHAOSWNKXGUVMF-UHFFFAOYSA-N -1 3 380.828 3.409 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000826244790 607693427 /nfs/dbraw/zinc/69/34/27/607693427.db2.gz DBRXCCZYXUFRBR-MRXNPFEDSA-N -1 3 393.422 3.049 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000826244790 607693428 /nfs/dbraw/zinc/69/34/28/607693428.db2.gz DBRXCCZYXUFRBR-MRXNPFEDSA-N -1 3 393.422 3.049 20 0 GGADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H](c3noc(C(C)C)n3)C2)c1 ZINC000582791272 604461152 /nfs/dbraw/zinc/46/11/52/604461152.db2.gz SIRBSXZDQUPFPB-SUMWQHHRSA-N -1 3 389.452 3.216 20 0 GGADHM O=C([O-])[C@H](NCc1cccc2nsnc21)c1ccc(Br)cc1 ZINC000833168900 604470705 /nfs/dbraw/zinc/47/07/05/604470705.db2.gz ARFIMDGKKYLBHN-CQSZACIVSA-N -1 3 378.251 3.369 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)CCc3ccccc3C(=O)[O-])c2)CC1 ZINC000833498840 604470822 /nfs/dbraw/zinc/47/08/22/604470822.db2.gz HVUXBGWCQYUUPH-UHFFFAOYSA-N -1 3 395.503 3.487 20 0 GGADHM O=C([O-])[C@@H](NCc1cccc2nsnc21)c1ccc(Br)cc1 ZINC000833168899 604470847 /nfs/dbraw/zinc/47/08/47/604470847.db2.gz ARFIMDGKKYLBHN-AWEZNQCLSA-N -1 3 378.251 3.369 20 0 GGADHM CN(CCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000830785151 604471736 /nfs/dbraw/zinc/47/17/36/604471736.db2.gz HQUQEOUXXGKMTC-LJQANCHMSA-N -1 3 383.492 3.270 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826443071 607694379 /nfs/dbraw/zinc/69/43/79/607694379.db2.gz ZCVRHBVTIWMXTK-UHFFFAOYSA-N -1 3 375.354 3.292 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826443071 607694380 /nfs/dbraw/zinc/69/43/80/607694380.db2.gz ZCVRHBVTIWMXTK-UHFFFAOYSA-N -1 3 375.354 3.292 20 0 GGADHM CC1CCN([C@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])c2cccs2)CC1 ZINC000828284108 604477988 /nfs/dbraw/zinc/47/79/88/604477988.db2.gz CFQNGVHYSZKOHU-JKSUJKDBSA-N -1 3 379.526 3.170 20 0 GGADHM CN(C(=O)Nc1cc(C(=O)[O-])cs1)C1CCN(CCc2ccccn2)CC1 ZINC000830500687 604492402 /nfs/dbraw/zinc/49/24/02/604492402.db2.gz VHOAKTREHAEINJ-UHFFFAOYSA-N -1 3 388.493 3.012 20 0 GGADHM Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(-c5nnn[n-]5)[nH]4)cc3)nc12 ZINC000826308310 607699706 /nfs/dbraw/zinc/69/97/06/607699706.db2.gz SYHQFESQBHHVJP-UHFFFAOYSA-N -1 3 384.403 3.070 20 0 GGADHM Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(-c5nn[n-]n5)[nH]4)cc3)nc12 ZINC000826308310 607699707 /nfs/dbraw/zinc/69/97/07/607699707.db2.gz SYHQFESQBHHVJP-UHFFFAOYSA-N -1 3 384.403 3.070 20 0 GGADHM CCc1cc2oc(=O)cc(CN(C)[C@@H](COC(C)C)C(=O)[O-])c2cc1Cl ZINC000830229453 604516146 /nfs/dbraw/zinc/51/61/46/604516146.db2.gz TWHGDMDEGLTWOM-INIZCTEOSA-N -1 3 381.856 3.319 20 0 GGADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000825075808 607696205 /nfs/dbraw/zinc/69/62/05/607696205.db2.gz QOELBCGOENQAKJ-ZDUSSCGKSA-N -1 3 382.424 3.116 20 0 GGADHM C[C@@H](Oc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833537911 604523168 /nfs/dbraw/zinc/52/31/68/604523168.db2.gz AAAWSWWENGXCLN-MRXNPFEDSA-N -1 3 382.460 3.389 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833542402 604523441 /nfs/dbraw/zinc/52/34/41/604523441.db2.gz QWWILYSPZPXHGE-KRWDZBQOSA-N -1 3 396.487 3.067 20 0 GGADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830604065 604523896 /nfs/dbraw/zinc/52/38/96/604523896.db2.gz FPLVGGSSLWYNAY-UHFFFAOYSA-N -1 3 383.420 3.320 20 0 GGADHM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829163345 604525045 /nfs/dbraw/zinc/52/50/45/604525045.db2.gz XFTZXXRSDNCUSD-CEXWTWQISA-N -1 3 387.524 3.497 20 0 GGADHM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829163351 604525325 /nfs/dbraw/zinc/52/53/25/604525325.db2.gz XFTZXXRSDNCUSD-QYZOEREBSA-N -1 3 387.524 3.497 20 0 GGADHM CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cn1 ZINC000827117631 604549603 /nfs/dbraw/zinc/54/96/03/604549603.db2.gz FYSLCLPYFGZMJS-JOCHJYFZSA-N -1 3 381.476 3.054 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825075504 607698057 /nfs/dbraw/zinc/69/80/57/607698057.db2.gz OQRJZRXAXROCNG-CQSZACIVSA-N -1 3 381.436 3.199 20 0 GGADHM CC[C@@H](C)OCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825075504 607698060 /nfs/dbraw/zinc/69/80/60/607698060.db2.gz OQRJZRXAXROCNG-CQSZACIVSA-N -1 3 381.436 3.199 20 0 GGADHM CCc1nnc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)o1 ZINC000825763138 607698495 /nfs/dbraw/zinc/69/84/95/607698495.db2.gz PNHZFGUFKHZIAQ-UHFFFAOYSA-N -1 3 375.392 3.040 20 0 GGADHM CCc1nnc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)o1 ZINC000825763138 607698496 /nfs/dbraw/zinc/69/84/96/607698496.db2.gz PNHZFGUFKHZIAQ-UHFFFAOYSA-N -1 3 375.392 3.040 20 0 GGADHM O=C(OCc1coc(-c2c(F)cccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826468063 607698585 /nfs/dbraw/zinc/69/85/85/607698585.db2.gz XWCIDAYYNCONAG-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM O=C(OCc1coc(-c2c(F)cccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826468063 607698587 /nfs/dbraw/zinc/69/85/87/607698587.db2.gz XWCIDAYYNCONAG-UHFFFAOYSA-N -1 3 383.314 3.157 20 0 GGADHM CCC(CC)n1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC000828870027 604561891 /nfs/dbraw/zinc/56/18/91/604561891.db2.gz JRFUMSXOHQYOKC-JOCHJYFZSA-N -1 3 398.507 3.093 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000826246788 607698867 /nfs/dbraw/zinc/69/88/67/607698867.db2.gz LGJHBDYBBMGNFZ-GFCCVEGCSA-N -1 3 381.440 3.097 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000826246788 607698869 /nfs/dbraw/zinc/69/88/69/607698869.db2.gz LGJHBDYBBMGNFZ-GFCCVEGCSA-N -1 3 381.440 3.097 20 0 GGADHM Cc1cc([C@H](C)OC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)oc1C(=O)[O-] ZINC000832871626 604573190 /nfs/dbraw/zinc/57/31/90/604573190.db2.gz CQJIRNCECHPSTJ-CMPLNLGQSA-N -1 3 393.342 3.222 20 0 GGADHM CCOc1ccc(C2=CCN(C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000833664529 604573582 /nfs/dbraw/zinc/57/35/82/604573582.db2.gz WPMSVCIOENSKMP-HXUWFJFHSA-N -1 3 397.471 3.313 20 0 GGADHM CCOc1ccc(C2=CCN(C[C@H](O)COc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000833664528 604573612 /nfs/dbraw/zinc/57/36/12/604573612.db2.gz WPMSVCIOENSKMP-FQEVSTJZSA-N -1 3 397.471 3.313 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427110 607700936 /nfs/dbraw/zinc/70/09/36/607700936.db2.gz GMDUPHCQWGAQCO-QGZVFWFLSA-N -1 3 378.823 3.368 20 0 GGADHM O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427110 607700937 /nfs/dbraw/zinc/70/09/37/607700937.db2.gz GMDUPHCQWGAQCO-QGZVFWFLSA-N -1 3 378.823 3.368 20 0 GGADHM COc1ccc(Br)c(CNCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826186710 607701244 /nfs/dbraw/zinc/70/12/44/607701244.db2.gz HQCXRJCHNDTJGF-UHFFFAOYSA-N -1 3 392.232 3.067 20 0 GGADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000833185333 604587606 /nfs/dbraw/zinc/58/76/06/604587606.db2.gz GRDBNHHJAJXRMW-IPMKNSEASA-N -1 3 396.491 3.160 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833615492 604606909 /nfs/dbraw/zinc/60/69/09/604606909.db2.gz FDWYMNAQIJVJCS-GOSISDBHSA-N -1 3 395.503 3.233 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000833544101 604620555 /nfs/dbraw/zinc/62/05/55/604620555.db2.gz XBGWFVATBFLUJW-INIZCTEOSA-N -1 3 388.508 3.199 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1OCc1ccccc1 ZINC000826231894 607704047 /nfs/dbraw/zinc/70/40/47/607704047.db2.gz LMFGTXVDYOBGAC-CQSZACIVSA-N -1 3 388.431 3.265 20 0 GGADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1OCc1ccccc1 ZINC000826231894 607704049 /nfs/dbraw/zinc/70/40/49/607704049.db2.gz LMFGTXVDYOBGAC-CQSZACIVSA-N -1 3 388.431 3.265 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC(NC(=O)CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833541188 604639098 /nfs/dbraw/zinc/63/90/98/604639098.db2.gz MJQOTISGLZEAFH-INIZCTEOSA-N -1 3 388.508 3.199 20 0 GGADHM Oc1ccc(Br)c(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826510905 607704951 /nfs/dbraw/zinc/70/49/51/607704951.db2.gz QSIFEBGOBQUXJF-UHFFFAOYSA-N -1 3 386.253 3.114 20 0 GGADHM C[C@H](Oc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833544437 604647339 /nfs/dbraw/zinc/64/73/39/604647339.db2.gz XQKGOXZEANNRSN-MPGHIAIKSA-N -1 3 392.496 3.274 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826323250 607705817 /nfs/dbraw/zinc/70/58/17/607705817.db2.gz WRYFMYVPXMRWTK-SNVBAGLBSA-N -1 3 379.449 3.118 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826323250 607705818 /nfs/dbraw/zinc/70/58/18/607705818.db2.gz WRYFMYVPXMRWTK-SNVBAGLBSA-N -1 3 379.449 3.118 20 0 GGADHM Cc1nc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826326500 607707413 /nfs/dbraw/zinc/70/74/13/607707413.db2.gz SBMCWJAFPSURND-UHFFFAOYSA-N -1 3 387.465 3.233 20 0 GGADHM Cc1nc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826326500 607707415 /nfs/dbraw/zinc/70/74/15/607707415.db2.gz SBMCWJAFPSURND-UHFFFAOYSA-N -1 3 387.465 3.233 20 0 GGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cnc2ccc(Br)cn12 ZINC000263496608 604679608 /nfs/dbraw/zinc/67/96/08/604679608.db2.gz JUQRETGMKRAFKY-DFBGVHRSSA-N -1 3 378.270 3.315 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544512 604683549 /nfs/dbraw/zinc/68/35/49/604683549.db2.gz ZDIIZFWWIPXYCY-DOTOQJQBSA-N -1 3 392.496 3.370 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(N(C)C)cc1F ZINC000824293597 607711295 /nfs/dbraw/zinc/71/12/95/607711295.db2.gz SQLARIPYOJNWLZ-UHFFFAOYSA-N -1 3 382.443 3.123 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(N(C)C)cc1F ZINC000824293597 607711297 /nfs/dbraw/zinc/71/12/97/607711297.db2.gz SQLARIPYOJNWLZ-UHFFFAOYSA-N -1 3 382.443 3.123 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(N(C)C)cc1F ZINC000824255371 607711373 /nfs/dbraw/zinc/71/13/73/607711373.db2.gz HHALXSPMJRLFFN-UHFFFAOYSA-N -1 3 396.470 3.370 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(N(C)C)cc1F ZINC000824255371 607711375 /nfs/dbraw/zinc/71/13/75/607711375.db2.gz HHALXSPMJRLFFN-UHFFFAOYSA-N -1 3 396.470 3.370 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCSCC(C)C)n1 ZINC000825560916 607711467 /nfs/dbraw/zinc/71/14/67/607711467.db2.gz XIXAWGRPHGBZAT-UHFFFAOYSA-N -1 3 381.527 3.310 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCSCC(C)C)n1 ZINC000825560916 607711468 /nfs/dbraw/zinc/71/14/68/607711468.db2.gz XIXAWGRPHGBZAT-UHFFFAOYSA-N -1 3 381.527 3.310 20 0 GGADHM C[C@@H](CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449655 604742423 /nfs/dbraw/zinc/74/24/23/604742423.db2.gz NIZYTTJWOUUHRE-BTYIYWSLSA-N -1 3 398.528 3.407 20 0 GGADHM C[C@H](CN(CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1)C(=O)[O-] ZINC000827449676 604745170 /nfs/dbraw/zinc/74/51/70/604745170.db2.gz NPMKELHUNUBZPJ-VGSWGCGISA-N -1 3 392.499 3.346 20 0 GGADHM C[C@H](Oc1ccc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544491 604759058 /nfs/dbraw/zinc/75/90/58/604759058.db2.gz YQOCZWAVYXMZOZ-DOTOQJQBSA-N -1 3 377.481 3.482 20 0 GGADHM O=C([O-])[C@@H](O)C1CCN(Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000833770745 604763014 /nfs/dbraw/zinc/76/30/14/604763014.db2.gz MRIHPFZRKSKZND-QFIPXVFZSA-N -1 3 383.488 3.356 20 0 GGADHM O=C([O-])[C@H](O)C1CCN(Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000833770744 604763122 /nfs/dbraw/zinc/76/31/22/604763122.db2.gz MRIHPFZRKSKZND-JOCHJYFZSA-N -1 3 383.488 3.356 20 0 GGADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000826004611 604768790 /nfs/dbraw/zinc/76/87/90/604768790.db2.gz DKYOVRCJNVPHNB-IERDGZPVSA-N -1 3 395.503 3.293 20 0 GGADHM Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000832932189 604772952 /nfs/dbraw/zinc/77/29/52/604772952.db2.gz CZWRJAMFRKKPOF-UHFFFAOYSA-N -1 3 388.489 3.398 20 0 GGADHM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826426966 607714340 /nfs/dbraw/zinc/71/43/40/607714340.db2.gz BKVUOOLWLJOJHS-GOSISDBHSA-N -1 3 394.385 3.187 20 0 GGADHM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826426966 607714342 /nfs/dbraw/zinc/71/43/42/607714342.db2.gz BKVUOOLWLJOJHS-GOSISDBHSA-N -1 3 394.385 3.187 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CN1Cc1ccccc1 ZINC000833600592 604841389 /nfs/dbraw/zinc/84/13/89/604841389.db2.gz MDAQVGADFHJMTR-IIBYNOLFSA-N -1 3 393.487 3.116 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417225 604857525 /nfs/dbraw/zinc/85/75/25/604857525.db2.gz NELLUQWYEADMKQ-MJGOQNOKSA-N -1 3 394.471 3.295 20 0 GGADHM CN(C)CCN(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000830604716 604915812 /nfs/dbraw/zinc/91/58/12/604915812.db2.gz UBRBBSZJRKTOLK-UHFFFAOYSA-N -1 3 383.876 3.142 20 0 GGADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833550646 604919484 /nfs/dbraw/zinc/91/94/84/604919484.db2.gz XYSAGGOPZWLSDQ-CZUORRHYSA-N -1 3 393.447 3.218 20 0 GGADHM O=C([O-])c1n[nH]c2ccc(NC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cc21 ZINC000833769407 604922447 /nfs/dbraw/zinc/92/24/47/604922447.db2.gz BFJZREFNWUDDRY-INIZCTEOSA-N -1 3 393.447 3.047 20 0 GGADHM O=C([O-])c1n[nH]c2ccc(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21 ZINC000833770126 604925024 /nfs/dbraw/zinc/92/50/24/604925024.db2.gz XUKQFKACIAGSDI-GOSISDBHSA-N -1 3 393.447 3.220 20 0 GGADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CN1Cc1ccccc1 ZINC000833599315 604926390 /nfs/dbraw/zinc/92/63/90/604926390.db2.gz DBXVGWXPPQRZMK-CJNGLKHVSA-N -1 3 393.447 3.046 20 0 GGADHM C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833407315 604931241 /nfs/dbraw/zinc/93/12/41/604931241.db2.gz BJVHSXXPDMRIKP-CHWSQXEVSA-N -1 3 384.423 3.438 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000833420899 604937442 /nfs/dbraw/zinc/93/74/42/604937442.db2.gz BQODPPSIWSBPOX-LJQANCHMSA-N -1 3 386.536 3.437 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)NCCCSc2ccccc2)C1 ZINC000833420938 604940605 /nfs/dbraw/zinc/94/06/05/604940605.db2.gz CLQXSJIEFWOPQM-MRXNPFEDSA-N -1 3 378.538 3.108 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409567 604942229 /nfs/dbraw/zinc/94/22/29/604942229.db2.gz OVIKLRPFZHDOHI-STQMWFEESA-N -1 3 384.423 3.438 20 0 GGADHM CC(C)OCc1cccc(CNC(=O)CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833506017 604943167 /nfs/dbraw/zinc/94/31/67/604943167.db2.gz ZZUFNRNTDZNUHA-IBGZPJMESA-N -1 3 390.524 3.051 20 0 GGADHM CC(C)OCc1ccc(CNC(=O)CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833505883 604946766 /nfs/dbraw/zinc/94/67/66/604946766.db2.gz WLSFRSVVOFMGSS-LJQANCHMSA-N -1 3 390.524 3.051 20 0 GGADHM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833746261 604946803 /nfs/dbraw/zinc/94/68/03/604946803.db2.gz WEDVZIHKDFLPML-KRWDZBQOSA-N -1 3 387.524 3.357 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N3CCC[C@H](C(C)(C)C(=O)[O-])C3)C2=O)c1 ZINC000833749425 604948934 /nfs/dbraw/zinc/94/89/34/604948934.db2.gz LKGAYSVVRIOZFX-RDJZCZTQSA-N -1 3 376.472 3.452 20 0 GGADHM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826281359 607725309 /nfs/dbraw/zinc/72/53/09/607725309.db2.gz OCRPDXRBDGQRNX-UHFFFAOYSA-N -1 3 390.451 3.239 20 0 GGADHM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826281359 607725311 /nfs/dbraw/zinc/72/53/11/607725311.db2.gz OCRPDXRBDGQRNX-UHFFFAOYSA-N -1 3 390.451 3.239 20 0 GGADHM Cc1cc(C)cc(OCc2noc(CN3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000263573731 604963340 /nfs/dbraw/zinc/96/33/40/604963340.db2.gz MSWMKCTYDOBROK-SZMVWBNQSA-N -1 3 385.464 3.483 20 0 GGADHM COC(=O)c1sc(NC(=O)CCN(C)[C@H](C)c2ccco2)c(C(=O)[O-])c1C ZINC000831475614 604967420 /nfs/dbraw/zinc/96/74/20/604967420.db2.gz NNKQJNLSERUCCO-LLVKDONJSA-N -1 3 394.449 3.156 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000833415175 604974046 /nfs/dbraw/zinc/97/40/46/604974046.db2.gz PYUNHENTRLPXHL-CVEARBPZSA-N -1 3 393.553 3.417 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000833415184 604974251 /nfs/dbraw/zinc/97/42/51/604974251.db2.gz PYUNHENTRLPXHL-HZPDHXFCSA-N -1 3 393.553 3.417 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000833415981 604974302 /nfs/dbraw/zinc/97/43/02/604974302.db2.gz WAGSTRAZLGBUAI-MOPGFXCFSA-N -1 3 387.524 3.356 20 0 GGADHM CCc1ccc([C@H](CNC(=O)Nc2nc(CCC(=O)[O-])cs2)N(C)C)cc1 ZINC000830238546 604978076 /nfs/dbraw/zinc/97/80/76/604978076.db2.gz SBINZAMMOKLYMQ-INIZCTEOSA-N -1 3 390.509 3.147 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824352903 607726429 /nfs/dbraw/zinc/72/64/29/607726429.db2.gz QYXGFHPKTSXASQ-UHFFFAOYSA-N -1 3 383.427 3.215 20 0 GGADHM CC(C)c1ccccc1OCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824352903 607726430 /nfs/dbraw/zinc/72/64/30/607726430.db2.gz QYXGFHPKTSXASQ-UHFFFAOYSA-N -1 3 383.427 3.215 20 0 GGADHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000833770219 604985643 /nfs/dbraw/zinc/98/56/43/604985643.db2.gz AORHFPJPTRHTEQ-QGZVFWFLSA-N -1 3 394.265 3.367 20 0 GGADHM C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CN1Cc1ccccc1 ZINC000833601546 604988308 /nfs/dbraw/zinc/98/83/08/604988308.db2.gz VYCJMOIQLBFIKY-NZSAHSFTSA-N -1 3 387.524 3.182 20 0 GGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826233355 607726978 /nfs/dbraw/zinc/72/69/78/607726978.db2.gz DIJSPSFPZSZJBZ-UHFFFAOYSA-N -1 3 384.802 3.379 20 0 GGADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826233355 607726979 /nfs/dbraw/zinc/72/69/79/607726979.db2.gz DIJSPSFPZSZJBZ-UHFFFAOYSA-N -1 3 384.802 3.379 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000833416405 604992072 /nfs/dbraw/zinc/99/20/72/604992072.db2.gz YSHLOJVQZMTRAR-QZTJIDSGSA-N -1 3 390.499 3.387 20 0 GGADHM O=C([O-])[C@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccnc1 ZINC000833164559 604996601 /nfs/dbraw/zinc/99/66/01/604996601.db2.gz BDLQMPKMUOOCLR-MRXNPFEDSA-N -1 3 376.338 3.202 20 0 GGADHM O=C([O-])[C@H](NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1cccnc1 ZINC000833170612 604997230 /nfs/dbraw/zinc/99/72/30/604997230.db2.gz ZIHWAFMNKBUVDM-JOCHJYFZSA-N -1 3 399.454 3.304 20 0 GGADHM CC1(C)C[C@H](NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c2ccccc21 ZINC000833556550 605003676 /nfs/dbraw/zinc/00/36/76/605003676.db2.gz CISJVMHBOYKRTO-IBGZPJMESA-N -1 3 387.501 3.198 20 0 GGADHM O=C(Cc1ccc(Br)c(F)c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826422246 607730417 /nfs/dbraw/zinc/73/04/17/607730417.db2.gz RQKKDCBRJHJNIB-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM O=C(Cc1ccc(Br)c(F)c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826422246 607730418 /nfs/dbraw/zinc/73/04/18/607730418.db2.gz RQKKDCBRJHJNIB-UHFFFAOYSA-N -1 3 391.200 3.054 20 0 GGADHM Fc1ccc(NCc2ccc(COC3CCOCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000826375629 607730599 /nfs/dbraw/zinc/73/05/99/607730599.db2.gz VJLYLCRRUFFIJR-UHFFFAOYSA-N -1 3 383.427 3.314 20 0 GGADHM Fc1ccc(NCc2ccc(COC3CCOCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000826375629 607730600 /nfs/dbraw/zinc/73/06/00/607730600.db2.gz VJLYLCRRUFFIJR-UHFFFAOYSA-N -1 3 383.427 3.314 20 0 GGADHM O=C(NCc1ccccc1Sc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826443370 607730751 /nfs/dbraw/zinc/73/07/51/607730751.db2.gz MDPCAESFFOZNDA-UHFFFAOYSA-N -1 3 376.445 3.276 20 0 GGADHM O=C(NCc1ccccc1Sc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826443370 607730752 /nfs/dbraw/zinc/73/07/52/607730752.db2.gz MDPCAESFFOZNDA-UHFFFAOYSA-N -1 3 376.445 3.276 20 0 GGADHM CN(C(=O)[O-])c1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000833686169 605057647 /nfs/dbraw/zinc/05/76/47/605057647.db2.gz ZXIQHTWTXLTADW-UHFFFAOYSA-N -1 3 397.475 3.257 20 0 GGADHM C[C@@]1(NCc2nnc(-c3ccc(Br)o3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569892 605060033 /nfs/dbraw/zinc/06/00/33/605060033.db2.gz QEOCUPMPJTVSDN-BJOHPYRUSA-N -1 3 384.230 3.215 20 0 GGADHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cccc(Br)c1OC(F)F ZINC000833505975 605074094 /nfs/dbraw/zinc/07/40/94/605074094.db2.gz PSAIJZFLYLLCPN-GFCCVEGCSA-N -1 3 396.228 3.361 20 0 GGADHM C[C@@H]1CN([C@@H](CNCc2ccoc2C(=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000833625004 605074554 /nfs/dbraw/zinc/07/45/54/605074554.db2.gz MQRMMHNRMPFHAM-WBMJQRKESA-N -1 3 396.846 3.322 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)C[C@H](O)c1cccs1 ZINC000826268311 607733530 /nfs/dbraw/zinc/73/35/30/607733530.db2.gz SEEDEFQQAIFAFH-ABAIWWIYSA-N -1 3 398.467 3.270 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)C[C@H](O)c1cccs1 ZINC000826268311 607733531 /nfs/dbraw/zinc/73/35/31/607733531.db2.gz SEEDEFQQAIFAFH-ABAIWWIYSA-N -1 3 398.467 3.270 20 0 GGADHM C[C@H](Oc1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1)C(=O)[O-] ZINC000833539111 605090002 /nfs/dbraw/zinc/09/00/02/605090002.db2.gz FXAJASRTKWIECU-UGSOOPFHSA-N -1 3 383.366 3.078 20 0 GGADHM CC(C)N(CCN(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833498875 605095098 /nfs/dbraw/zinc/09/50/98/605095098.db2.gz XZPIIVLXKLWPEV-UHFFFAOYSA-N -1 3 391.390 3.130 20 0 GGADHM O[C@H]1C[C@@H](c2cc(F)ccc2F)N(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000826506463 607734724 /nfs/dbraw/zinc/73/47/24/607734724.db2.gz UZWBTUUOOAVVTL-SGTLLEGYSA-N -1 3 394.385 3.005 20 0 GGADHM O[C@H]1C[C@@H](c2cc(F)ccc2F)N(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000826506463 607734725 /nfs/dbraw/zinc/73/47/25/607734725.db2.gz UZWBTUUOOAVVTL-SGTLLEGYSA-N -1 3 394.385 3.005 20 0 GGADHM CC(C)CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833483586 605121600 /nfs/dbraw/zinc/12/16/00/605121600.db2.gz CYXFTDNCVGPRKA-SJORKVTESA-N -1 3 390.524 3.474 20 0 GGADHM COc1ccc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2OC)cc1 ZINC000826189291 607736071 /nfs/dbraw/zinc/73/60/71/607736071.db2.gz RZUBCCWDQRQIAA-FQEVSTJZSA-N -1 3 388.431 3.480 20 0 GGADHM COc1ccc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2OC)cc1 ZINC000826189291 607736072 /nfs/dbraw/zinc/73/60/72/607736072.db2.gz RZUBCCWDQRQIAA-FQEVSTJZSA-N -1 3 388.431 3.480 20 0 GGADHM Clc1ccccc1O[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000826353700 607736604 /nfs/dbraw/zinc/73/66/04/607736604.db2.gz ASBLAKWXICBNRS-CYBMUJFWSA-N -1 3 382.855 3.062 20 0 GGADHM Clc1ccccc1O[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000826353700 607736605 /nfs/dbraw/zinc/73/66/05/607736605.db2.gz ASBLAKWXICBNRS-CYBMUJFWSA-N -1 3 382.855 3.062 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@H](C)c2cccc(C)c2C)cc(C(=O)[O-])c1 ZINC000833714958 605141389 /nfs/dbraw/zinc/14/13/89/605141389.db2.gz MCUISVGMVRIWAH-CQSZACIVSA-N -1 3 384.432 3.078 20 0 GGADHM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2cccc(C)c2C)cc(C(=O)[O-])c1 ZINC000833714956 605141551 /nfs/dbraw/zinc/14/15/51/605141551.db2.gz MCUISVGMVRIWAH-AWEZNQCLSA-N -1 3 384.432 3.078 20 0 GGADHM CCN1C[C@H](C)N(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C[C@@H]1C ZINC000833658922 605145720 /nfs/dbraw/zinc/14/57/20/605145720.db2.gz WJCQYGWCNRTTQI-QWRGUYRKSA-N -1 3 388.295 3.045 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000833412933 605177565 /nfs/dbraw/zinc/17/75/65/605177565.db2.gz DYHGZVCPSQCNJR-SFHVURJKSA-N -1 3 385.851 3.290 20 0 GGADHM CC(=O)Nc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000833400042 605179577 /nfs/dbraw/zinc/17/95/77/605179577.db2.gz XNQBJQRONZFTQQ-IBGZPJMESA-N -1 3 383.448 3.025 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1cccc2nsnc21)c1ccccc1 ZINC000833415123 605182955 /nfs/dbraw/zinc/18/29/55/605182955.db2.gz VAXHKNBANRDMIF-QGZVFWFLSA-N -1 3 384.461 3.072 20 0 GGADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000833416000 605183588 /nfs/dbraw/zinc/18/35/88/605183588.db2.gz ZBOIJQZUWWVRNZ-GOEBONIOSA-N -1 3 386.414 3.229 20 0 GGADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000833416011 605183709 /nfs/dbraw/zinc/18/37/09/605183709.db2.gz ZBOIJQZUWWVRNZ-HOCLYGCPSA-N -1 3 386.414 3.229 20 0 GGADHM CC(C)C(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833463688 605202690 /nfs/dbraw/zinc/20/26/90/605202690.db2.gz PXVKYZSUIALDRX-CZUORRHYSA-N -1 3 397.313 3.059 20 0 GGADHM CN(CCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833693589 605210278 /nfs/dbraw/zinc/21/02/78/605210278.db2.gz GDEXYPUALOYCKI-ZDUSSCGKSA-N -1 3 387.274 3.031 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427072 607742229 /nfs/dbraw/zinc/74/22/29/607742229.db2.gz FLWMXZUAYYPWOT-SFHVURJKSA-N -1 3 376.395 3.048 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427072 607742230 /nfs/dbraw/zinc/74/22/30/607742230.db2.gz FLWMXZUAYYPWOT-SFHVURJKSA-N -1 3 376.395 3.048 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(N(C)C)cc1F ZINC000825331893 607742795 /nfs/dbraw/zinc/74/27/95/607742795.db2.gz CALFRNCODMQILP-UHFFFAOYSA-N -1 3 383.431 3.146 20 0 GGADHM CCN(c1ccccc1)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825444942 607743237 /nfs/dbraw/zinc/74/32/37/607743237.db2.gz SXFBSAJXNLFAED-UHFFFAOYSA-N -1 3 387.447 3.283 20 0 GGADHM CCN(c1ccccc1)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825444942 607743238 /nfs/dbraw/zinc/74/32/38/607743238.db2.gz SXFBSAJXNLFAED-UHFFFAOYSA-N -1 3 387.447 3.283 20 0 GGADHM O=C([O-])c1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cn1 ZINC000833782971 605249504 /nfs/dbraw/zinc/24/95/04/605249504.db2.gz SBLRKBCCLWLLGE-SFHVURJKSA-N -1 3 393.365 3.173 20 0 GGADHM CC(C)CNC(=O)C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833487136 605260043 /nfs/dbraw/zinc/26/00/43/605260043.db2.gz FGHULAPGXURXBP-INIZCTEOSA-N -1 3 386.414 3.315 20 0 GGADHM CC(C)C(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463662 605264117 /nfs/dbraw/zinc/26/41/17/605264117.db2.gz PCTXAXSGWSEKCM-CJNGLKHVSA-N -1 3 386.414 3.315 20 0 GGADHM CN(c1cccnn1)C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833697822 605264611 /nfs/dbraw/zinc/26/46/11/605264611.db2.gz KTDUOLZYMLKTRY-KRWDZBQOSA-N -1 3 394.397 3.222 20 0 GGADHM CC(C)N1CCN(c2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)CC1 ZINC000833499435 605266784 /nfs/dbraw/zinc/26/67/84/605266784.db2.gz OPPICZULSZCOOO-UHFFFAOYSA-N -1 3 381.476 3.096 20 0 GGADHM CC(C)N1C(=O)C[C@@H](NCc2c[nH]c(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833500546 605267705 /nfs/dbraw/zinc/26/77/05/605267705.db2.gz LXRKNSQKEBLGDD-CRAIPNDOSA-N -1 3 393.846 3.346 20 0 GGADHM C[C@]1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCC[C@@H]1C(=O)[O-] ZINC000833566618 605271885 /nfs/dbraw/zinc/27/18/85/605271885.db2.gz BQVIUSFTWLWTAS-BLIXFSHQSA-N -1 3 376.472 3.187 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824505638 607744891 /nfs/dbraw/zinc/74/48/91/607744891.db2.gz GBKCXQHNLBFBJW-NSHDSACASA-N -1 3 397.439 3.033 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824505638 607744892 /nfs/dbraw/zinc/74/48/92/607744892.db2.gz GBKCXQHNLBFBJW-NSHDSACASA-N -1 3 397.439 3.033 20 0 GGADHM CCC(C)(C)c1ccc(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825043070 607744951 /nfs/dbraw/zinc/74/49/51/607744951.db2.gz DDVQHNBTHNMMHO-UHFFFAOYSA-N -1 3 399.520 3.174 20 0 GGADHM CCC(C)(C)c1ccc(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825043070 607744952 /nfs/dbraw/zinc/74/49/52/607744952.db2.gz DDVQHNBTHNMMHO-UHFFFAOYSA-N -1 3 399.520 3.174 20 0 GGADHM CN(C[C@@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000833693444 605295273 /nfs/dbraw/zinc/29/52/73/605295273.db2.gz XTVRKNCNZOATSP-KRWDZBQOSA-N -1 3 392.496 3.229 20 0 GGADHM C[C@@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000833614605 605297327 /nfs/dbraw/zinc/29/73/27/605297327.db2.gz QIKBGFXVMLWNDF-QAPCUYQASA-N -1 3 392.496 3.275 20 0 GGADHM C[C@@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000833614603 605297397 /nfs/dbraw/zinc/29/73/97/605297397.db2.gz QIKBGFXVMLWNDF-CRAIPNDOSA-N -1 3 392.496 3.275 20 0 GGADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833599327 605299241 /nfs/dbraw/zinc/29/92/41/605299241.db2.gz DGMHBAPQLORHTH-HOCLYGCPSA-N -1 3 378.469 3.028 20 0 GGADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)O1 ZINC000833585698 605353894 /nfs/dbraw/zinc/35/38/94/605353894.db2.gz TXBOGWFVVBVCOD-KRWDZBQOSA-N -1 3 394.512 3.245 20 0 GGADHM COC[C@@](C)(CC(=O)[O-])NCc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000833721752 605367685 /nfs/dbraw/zinc/36/76/85/605367685.db2.gz GDNOZJPAARRFBJ-OAQYLSRUSA-N -1 3 384.432 3.473 20 0 GGADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583603 605369505 /nfs/dbraw/zinc/36/95/05/605369505.db2.gz JEGMVPHUZGGJJC-GHMZBOCLSA-N -1 3 376.400 3.489 20 0 GGADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825022106 607751109 /nfs/dbraw/zinc/75/11/09/607751109.db2.gz WHJUKSAYYKLSSR-MRVPVSSYSA-N -1 3 377.235 3.261 20 0 GGADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825022106 607751110 /nfs/dbraw/zinc/75/11/10/607751110.db2.gz WHJUKSAYYKLSSR-MRVPVSSYSA-N -1 3 377.235 3.261 20 0 GGADHM COc1ccc(CNC(=O)CCOc2ccccc2C(C)C)cc1-c1nnn[n-]1 ZINC000826196647 607755289 /nfs/dbraw/zinc/75/52/89/607755289.db2.gz JELINLRGSXPZHX-UHFFFAOYSA-N -1 3 395.463 3.084 20 0 GGADHM COc1ccc(CNC(=O)CCOc2ccccc2C(C)C)cc1-c1nn[n-]n1 ZINC000826196647 607755290 /nfs/dbraw/zinc/75/52/90/607755290.db2.gz JELINLRGSXPZHX-UHFFFAOYSA-N -1 3 395.463 3.084 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)CN[C@@]3(C)CCO[C@H]3C3CC3)c2C(=O)[O-])C1 ZINC000833617281 605447777 /nfs/dbraw/zinc/44/77/77/605447777.db2.gz QRPHEXXISABZAQ-MSIBFWPZSA-N -1 3 392.521 3.057 20 0 GGADHM CCSc1ccc(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825674809 607756927 /nfs/dbraw/zinc/75/69/27/607756927.db2.gz SDSJPTSFTVVODO-UHFFFAOYSA-N -1 3 379.489 3.327 20 0 GGADHM CCSc1ccc(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825674809 607756928 /nfs/dbraw/zinc/75/69/28/607756928.db2.gz SDSJPTSFTVVODO-UHFFFAOYSA-N -1 3 379.489 3.327 20 0 GGADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628482 605472774 /nfs/dbraw/zinc/47/27/74/605472774.db2.gz IUSFPVQKGMHIAU-AWEZNQCLSA-N -1 3 393.940 3.461 20 0 GGADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000833462760 605474234 /nfs/dbraw/zinc/47/42/34/605474234.db2.gz HTSOCCKNSYLYKR-UHFFFAOYSA-N -1 3 383.448 3.158 20 0 GGADHM O=C(NCC1([C@@H](O)c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826433397 607757990 /nfs/dbraw/zinc/75/79/90/607757990.db2.gz FCEDVXHAQSEIFT-INIZCTEOSA-N -1 3 398.854 3.155 20 0 GGADHM O=C(NCC1([C@@H](O)c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826433397 607757991 /nfs/dbraw/zinc/75/79/91/607757991.db2.gz FCEDVXHAQSEIFT-INIZCTEOSA-N -1 3 398.854 3.155 20 0 GGADHM CCCCS[C@@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825296381 607758886 /nfs/dbraw/zinc/75/88/86/607758886.db2.gz GQQUOPQANWVLJR-NSHDSACASA-N -1 3 392.485 3.295 20 0 GGADHM CCCCS[C@@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825296381 607758887 /nfs/dbraw/zinc/75/88/87/607758887.db2.gz GQQUOPQANWVLJR-NSHDSACASA-N -1 3 392.485 3.295 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc(C)o2)cc1-c1nnn[n-]1 ZINC000825522558 607759108 /nfs/dbraw/zinc/75/91/08/607759108.db2.gz HNUNTLHUPBTMJK-NSHDSACASA-N -1 3 384.396 3.079 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc(C)o2)cc1-c1nn[n-]n1 ZINC000825522558 607759109 /nfs/dbraw/zinc/75/91/09/607759109.db2.gz HNUNTLHUPBTMJK-NSHDSACASA-N -1 3 384.396 3.079 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000825523815 607760764 /nfs/dbraw/zinc/76/07/64/607760764.db2.gz VMMLXMYLFXEHHP-UHFFFAOYSA-N -1 3 394.435 3.351 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000825523815 607760765 /nfs/dbraw/zinc/76/07/65/607760765.db2.gz VMMLXMYLFXEHHP-UHFFFAOYSA-N -1 3 394.435 3.351 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2ccccc2F)cc1-c1nnn[n-]1 ZINC000825531888 607760811 /nfs/dbraw/zinc/76/08/11/607760811.db2.gz NCTXSMCKNBLRSU-YFHOEESVSA-N -1 3 396.382 3.226 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2ccccc2F)cc1-c1nn[n-]n1 ZINC000825531888 607760812 /nfs/dbraw/zinc/76/08/12/607760812.db2.gz NCTXSMCKNBLRSU-YFHOEESVSA-N -1 3 396.382 3.226 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2CC)cc1-c1nnn[n-]1 ZINC000825538198 607767025 /nfs/dbraw/zinc/76/70/25/607767025.db2.gz BZGOTTJODGKIOK-ZDUSSCGKSA-N -1 3 387.444 3.232 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2CC)cc1-c1nn[n-]n1 ZINC000825538198 607767026 /nfs/dbraw/zinc/76/70/26/607767026.db2.gz BZGOTTJODGKIOK-ZDUSSCGKSA-N -1 3 387.444 3.232 20 0 GGADHM COc1csc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826221605 607770657 /nfs/dbraw/zinc/77/06/57/607770657.db2.gz MKUGUQIEOBPGRT-UHFFFAOYSA-N -1 3 384.446 3.313 20 0 GGADHM COc1csc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826221605 607770658 /nfs/dbraw/zinc/77/06/58/607770658.db2.gz MKUGUQIEOBPGRT-UHFFFAOYSA-N -1 3 384.446 3.313 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC(C)(C)CC2)cc1-c1nnn[n-]1 ZINC000825539138 607767281 /nfs/dbraw/zinc/76/72/81/607767281.db2.gz NDXMZWWPXFPNJV-UHFFFAOYSA-N -1 3 387.444 3.089 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)N2CCC(C)(C)CC2)cc1-c1nn[n-]n1 ZINC000825539138 607767282 /nfs/dbraw/zinc/76/72/82/607767282.db2.gz NDXMZWWPXFPNJV-UHFFFAOYSA-N -1 3 387.444 3.089 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826268577 607768291 /nfs/dbraw/zinc/76/82/91/607768291.db2.gz CRLGTYVLRSZVKJ-UHFFFAOYSA-N -1 3 383.431 3.010 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826268577 607768292 /nfs/dbraw/zinc/76/82/92/607768292.db2.gz CRLGTYVLRSZVKJ-UHFFFAOYSA-N -1 3 383.431 3.010 20 0 GGADHM C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824747020 607768526 /nfs/dbraw/zinc/76/85/26/607768526.db2.gz YQKQSIJAFCVYAK-GFCCVEGCSA-N -1 3 392.444 3.396 20 0 GGADHM C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824747020 607768527 /nfs/dbraw/zinc/76/85/27/607768527.db2.gz YQKQSIJAFCVYAK-GFCCVEGCSA-N -1 3 392.444 3.396 20 0 GGADHM O=C(NCC1(C2CC2)CC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826433733 607768944 /nfs/dbraw/zinc/76/89/44/607768944.db2.gz PHIFLOHVMOSIKA-UHFFFAOYSA-N -1 3 389.459 3.366 20 0 GGADHM O=C(NCC1(C2CC2)CC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826433733 607768945 /nfs/dbraw/zinc/76/89/45/607768945.db2.gz PHIFLOHVMOSIKA-UHFFFAOYSA-N -1 3 389.459 3.366 20 0 GGADHM COc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826187271 607769526 /nfs/dbraw/zinc/76/95/26/607769526.db2.gz IQWZJAXYVIFZJF-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM COc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826187271 607769527 /nfs/dbraw/zinc/76/95/27/607769527.db2.gz IQWZJAXYVIFZJF-UHFFFAOYSA-N -1 3 378.417 3.251 20 0 GGADHM CN(C)C(=O)CC1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000833687734 605854584 /nfs/dbraw/zinc/85/45/84/605854584.db2.gz SFIMPAJFLMJWQH-UHFFFAOYSA-N -1 3 378.469 3.429 20 0 GGADHM CCc1ccccc1NC(=O)CN(C)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821496885 606024175 /nfs/dbraw/zinc/02/41/75/606024175.db2.gz KPLHCCPCQUYQEK-UHFFFAOYSA-N -1 3 387.447 3.052 20 0 GGADHM CCc1ccccc1NC(=O)CN(C)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821496885 606024179 /nfs/dbraw/zinc/02/41/79/606024179.db2.gz KPLHCCPCQUYQEK-UHFFFAOYSA-N -1 3 387.447 3.052 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CCC(=O)CC1 ZINC000823526099 606029040 /nfs/dbraw/zinc/02/90/40/606029040.db2.gz ZDPABFHCDYNWRB-UHFFFAOYSA-N -1 3 395.394 3.496 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CCC(=O)CC1 ZINC000823526099 606029042 /nfs/dbraw/zinc/02/90/42/606029042.db2.gz ZDPABFHCDYNWRB-UHFFFAOYSA-N -1 3 395.394 3.496 20 0 GGADHM c1nn(Cc2ccccc2)cc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823787038 606048584 /nfs/dbraw/zinc/04/85/84/606048584.db2.gz IEYRRRMFVRGSQY-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM c1nn(Cc2ccccc2)cc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823787038 606048590 /nfs/dbraw/zinc/04/85/90/606048590.db2.gz IEYRRRMFVRGSQY-UHFFFAOYSA-N -1 3 382.431 3.272 20 0 GGADHM c1ccc2nc(NCc3ccc(N4CCCCC4)nc3)c(-c3nnn[n-]3)cc2c1 ZINC000823802632 606049023 /nfs/dbraw/zinc/04/90/23/606049023.db2.gz VNRDNBHREBJMLI-UHFFFAOYSA-N -1 3 386.463 3.412 20 0 GGADHM c1ccc2nc(NCc3ccc(N4CCCCC4)nc3)c(-c3nn[n-]n3)cc2c1 ZINC000823802632 606049028 /nfs/dbraw/zinc/04/90/28/606049028.db2.gz VNRDNBHREBJMLI-UHFFFAOYSA-N -1 3 386.463 3.412 20 0 GGADHM CCC(CC)C(=O)N1CCC(Nc2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000820892794 606050254 /nfs/dbraw/zinc/05/02/54/606050254.db2.gz FCGABQATAWMPMO-UHFFFAOYSA-N -1 3 393.495 3.254 20 0 GGADHM CCC(CC)C(=O)N1CCC(Nc2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000820892794 606050259 /nfs/dbraw/zinc/05/02/59/606050259.db2.gz FCGABQATAWMPMO-UHFFFAOYSA-N -1 3 393.495 3.254 20 0 GGADHM Cc1noc(C(F)F)c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000822520206 606055741 /nfs/dbraw/zinc/05/57/41/606055741.db2.gz SXKWSLLQSSAXJB-UHFFFAOYSA-N -1 3 378.339 3.140 20 0 GGADHM O=C1[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCN1CCCc1ccccc1 ZINC000823510922 606104864 /nfs/dbraw/zinc/10/48/64/606104864.db2.gz CCKOLVZFMVVFDP-QGZVFWFLSA-N -1 3 396.882 3.166 20 0 GGADHM O=C1[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCN1CCCc1ccccc1 ZINC000823510922 606104866 /nfs/dbraw/zinc/10/48/66/606104866.db2.gz CCKOLVZFMVVFDP-QGZVFWFLSA-N -1 3 396.882 3.166 20 0 GGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821882638 606105287 /nfs/dbraw/zinc/10/52/87/606105287.db2.gz GLYJUCJZXGTWJO-GOSISDBHSA-N -1 3 395.463 3.158 20 0 GGADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821882638 606105289 /nfs/dbraw/zinc/10/52/89/606105289.db2.gz GLYJUCJZXGTWJO-GOSISDBHSA-N -1 3 395.463 3.158 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2n[nH]cc2c1 ZINC000820086603 606107047 /nfs/dbraw/zinc/10/70/47/606107047.db2.gz BTLIQYVXJBOYTJ-UHFFFAOYSA-N -1 3 375.436 3.041 20 0 GGADHM Cc1ccc(CN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C2CC2)o1 ZINC000822237471 606107883 /nfs/dbraw/zinc/10/78/83/606107883.db2.gz VMQNMMXWDAHLCB-UHFFFAOYSA-N -1 3 386.481 3.050 20 0 GGADHM Cc1ccc(CN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)C2CC2)o1 ZINC000822237471 606107884 /nfs/dbraw/zinc/10/78/84/606107884.db2.gz VMQNMMXWDAHLCB-UHFFFAOYSA-N -1 3 386.481 3.050 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2ccsc2)c(-c2nnn[n-]2)c1C ZINC000822558518 606108225 /nfs/dbraw/zinc/10/82/25/606108225.db2.gz PXMUODPLNJIIOX-CYBMUJFWSA-N -1 3 388.522 3.382 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2ccsc2)c(-c2nn[n-]n2)c1C ZINC000822558518 606108227 /nfs/dbraw/zinc/10/82/27/606108227.db2.gz PXMUODPLNJIIOX-CYBMUJFWSA-N -1 3 388.522 3.382 20 0 GGADHM O=C(CSCC(=O)c1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823054922 606109265 /nfs/dbraw/zinc/10/92/65/606109265.db2.gz HLPDEISDECXKBL-UHFFFAOYSA-N -1 3 387.852 3.075 20 0 GGADHM O=C(CSCC(=O)c1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823054922 606109267 /nfs/dbraw/zinc/10/92/67/606109267.db2.gz HLPDEISDECXKBL-UHFFFAOYSA-N -1 3 387.852 3.075 20 0 GGADHM C[C@@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717158 606109954 /nfs/dbraw/zinc/10/99/54/606109954.db2.gz ORAJHANUWWVKCF-YJYMSZOUSA-N -1 3 380.427 3.027 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3c(C)cccc32)c(-c2nnn[n-]2)c1C ZINC000822340615 606111850 /nfs/dbraw/zinc/11/18/50/606111850.db2.gz AALKXPURPGEYRG-UHFFFAOYSA-N -1 3 382.493 3.245 20 0 GGADHM Cc1sc(NC(=O)CN2CCCc3c(C)cccc32)c(-c2nn[n-]n2)c1C ZINC000822340615 606111853 /nfs/dbraw/zinc/11/18/53/606111853.db2.gz AALKXPURPGEYRG-UHFFFAOYSA-N -1 3 382.493 3.245 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)Cc1cc2ccccc2o1 ZINC000819865461 606113675 /nfs/dbraw/zinc/11/36/75/606113675.db2.gz GCRUGFZEMJGFRQ-CYBMUJFWSA-N -1 3 376.420 3.072 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820642790 606116764 /nfs/dbraw/zinc/11/67/64/606116764.db2.gz LPDFKRTUMZUHPB-ZBFHGGJFSA-N -1 3 394.454 3.169 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820642790 606116766 /nfs/dbraw/zinc/11/67/66/606116766.db2.gz LPDFKRTUMZUHPB-ZBFHGGJFSA-N -1 3 394.454 3.169 20 0 GGADHM C[C@H](NC(=O)N1CCCC[C@H]1c1cccn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348625 606117034 /nfs/dbraw/zinc/11/70/34/606117034.db2.gz FCKBYQMBXZTGGY-KSSFIOAISA-N -1 3 379.468 3.203 20 0 GGADHM C[C@H](NC(=O)N1CCCC[C@H]1c1cccn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348625 606117036 /nfs/dbraw/zinc/11/70/36/606117036.db2.gz FCKBYQMBXZTGGY-KSSFIOAISA-N -1 3 379.468 3.203 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000823060988 606119461 /nfs/dbraw/zinc/11/94/61/606119461.db2.gz QZHHOAFUJRLERU-UHFFFAOYSA-N -1 3 393.472 3.258 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000823060988 606119462 /nfs/dbraw/zinc/11/94/62/606119462.db2.gz QZHHOAFUJRLERU-UHFFFAOYSA-N -1 3 393.472 3.258 20 0 GGADHM CC1(C)CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820589789 606119775 /nfs/dbraw/zinc/11/97/75/606119775.db2.gz NAYAGIOHFRFQRP-KRWDZBQOSA-N -1 3 381.436 3.347 20 0 GGADHM CC1(C)CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820589789 606119776 /nfs/dbraw/zinc/11/97/76/606119776.db2.gz NAYAGIOHFRFQRP-KRWDZBQOSA-N -1 3 381.436 3.347 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)C2CCCC2)c(-c2nnn[n-]2)c1C ZINC000821347703 606121553 /nfs/dbraw/zinc/12/15/53/606121553.db2.gz ZULRFINVZSHYPS-SECBINFHSA-N -1 3 377.470 3.178 20 0 GGADHM CCOC(=O)c1sc(NC(=O)[C@H](C)C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000821347703 606121554 /nfs/dbraw/zinc/12/15/54/606121554.db2.gz ZULRFINVZSHYPS-SECBINFHSA-N -1 3 377.470 3.178 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CC(OCc2ccccc2)C1 ZINC000821401275 606121993 /nfs/dbraw/zinc/12/19/93/606121993.db2.gz UPEBESLNAJYYPL-UHFFFAOYSA-N -1 3 393.447 3.199 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CC(OCc2ccccc2)C1 ZINC000821401275 606121994 /nfs/dbraw/zinc/12/19/94/606121994.db2.gz UPEBESLNAJYYPL-UHFFFAOYSA-N -1 3 393.447 3.199 20 0 GGADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000822226545 606124059 /nfs/dbraw/zinc/12/40/59/606124059.db2.gz XWYRRCHHLVVEPW-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000822226545 606124061 /nfs/dbraw/zinc/12/40/61/606124061.db2.gz XWYRRCHHLVVEPW-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000819876730 606125895 /nfs/dbraw/zinc/12/58/95/606125895.db2.gz JEEWQZQZMXESJT-NSHDSACASA-N -1 3 379.449 3.071 20 0 GGADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000819876730 606125897 /nfs/dbraw/zinc/12/58/97/606125897.db2.gz JEEWQZQZMXESJT-NSHDSACASA-N -1 3 379.449 3.071 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Br ZINC000823431622 606133495 /nfs/dbraw/zinc/13/34/95/606133495.db2.gz TVPYCUBABOSFTA-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Br ZINC000823431622 606133496 /nfs/dbraw/zinc/13/34/96/606133496.db2.gz TVPYCUBABOSFTA-UHFFFAOYSA-N -1 3 377.173 3.125 20 0 GGADHM C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820495651 606134371 /nfs/dbraw/zinc/13/43/71/606134371.db2.gz IQJVPWOSNUECDT-JTQLQIEISA-N -1 3 376.775 3.342 20 0 GGADHM C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820495651 606134373 /nfs/dbraw/zinc/13/43/73/606134373.db2.gz IQJVPWOSNUECDT-JTQLQIEISA-N -1 3 376.775 3.342 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc(OC(F)(F)F)cc1 ZINC000823112293 606146835 /nfs/dbraw/zinc/14/68/35/606146835.db2.gz WCVQYAMEDUTQCZ-UHFFFAOYSA-N -1 3 378.310 3.051 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc(OC(F)(F)F)cc1 ZINC000823112293 606146837 /nfs/dbraw/zinc/14/68/37/606146837.db2.gz WCVQYAMEDUTQCZ-UHFFFAOYSA-N -1 3 378.310 3.051 20 0 GGADHM C[C@@H](OC(=O)[C@H](C)C1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820480166 606147689 /nfs/dbraw/zinc/14/76/89/606147689.db2.gz FYFQQTXYPXGSFA-GHMZBOCLSA-N -1 3 391.859 3.217 20 0 GGADHM C[C@@H](OC(=O)[C@H](C)C1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820480166 606147691 /nfs/dbraw/zinc/14/76/91/606147691.db2.gz FYFQQTXYPXGSFA-GHMZBOCLSA-N -1 3 391.859 3.217 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@H](CO)C(C)C ZINC000822211902 606152452 /nfs/dbraw/zinc/15/24/52/606152452.db2.gz SNHIRPFPNVHIMQ-GOSISDBHSA-N -1 3 396.451 3.106 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@H](CO)C(C)C ZINC000822211902 606152453 /nfs/dbraw/zinc/15/24/53/606152453.db2.gz SNHIRPFPNVHIMQ-GOSISDBHSA-N -1 3 396.451 3.106 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820269283 606153086 /nfs/dbraw/zinc/15/30/86/606153086.db2.gz IUKALOIEZLPPBB-JTQLQIEISA-N -1 3 391.357 3.206 20 0 GGADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820269283 606153087 /nfs/dbraw/zinc/15/30/87/606153087.db2.gz IUKALOIEZLPPBB-JTQLQIEISA-N -1 3 391.357 3.206 20 0 GGADHM FC(F)(F)c1cccc([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000822729206 606160106 /nfs/dbraw/zinc/16/01/06/606160106.db2.gz VYPMVKNAHIQBPL-KRWDZBQOSA-N -1 3 389.381 3.459 20 0 GGADHM CN(Cc1nc2c(s1)CCCC2)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821616882 606164188 /nfs/dbraw/zinc/16/41/88/606164188.db2.gz MCGHMSXNAKSVDC-UHFFFAOYSA-N -1 3 395.414 3.252 20 0 GGADHM CN(Cc1nc2c(s1)CCCC2)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821616882 606164189 /nfs/dbraw/zinc/16/41/89/606164189.db2.gz MCGHMSXNAKSVDC-UHFFFAOYSA-N -1 3 395.414 3.252 20 0 GGADHM COC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)o1 ZINC000821683777 606168129 /nfs/dbraw/zinc/16/81/29/606168129.db2.gz JZCAFTDWJDXECP-CYBMUJFWSA-N -1 3 392.872 3.096 20 0 GGADHM COC[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)o1 ZINC000821683777 606168131 /nfs/dbraw/zinc/16/81/31/606168131.db2.gz JZCAFTDWJDXECP-CYBMUJFWSA-N -1 3 392.872 3.096 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1csc([C@H](C)OC)n1 ZINC000821699481 606175675 /nfs/dbraw/zinc/17/56/75/606175675.db2.gz RJHSPLBKVDTTTM-QMMMGPOBSA-N -1 3 381.845 3.272 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1csc([C@H](C)OC)n1 ZINC000821699481 606175676 /nfs/dbraw/zinc/17/56/76/606175676.db2.gz RJHSPLBKVDTTTM-QMMMGPOBSA-N -1 3 381.845 3.272 20 0 GGADHM COc1ccc([C@@H](O)CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000821782512 606175708 /nfs/dbraw/zinc/17/57/08/606175708.db2.gz GSDRLZKFCAZYAN-HNNXBMFYSA-N -1 3 379.342 3.040 20 0 GGADHM COc1ccc([C@@H](O)CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000821782512 606175710 /nfs/dbraw/zinc/17/57/10/606175710.db2.gz GSDRLZKFCAZYAN-HNNXBMFYSA-N -1 3 379.342 3.040 20 0 GGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000820120592 606176554 /nfs/dbraw/zinc/17/65/54/606176554.db2.gz FOWUSGAOPCTYOS-SFHVURJKSA-N -1 3 379.468 3.192 20 0 GGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000820120592 606176557 /nfs/dbraw/zinc/17/65/57/606176557.db2.gz FOWUSGAOPCTYOS-SFHVURJKSA-N -1 3 379.468 3.192 20 0 GGADHM O=[S@](Cc1ccc(Br)s1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823606240 606180110 /nfs/dbraw/zinc/18/01/10/606180110.db2.gz HGOMHLGCWCVGMJ-NRFANRHFSA-N -1 3 383.296 3.140 20 0 GGADHM O=[S@](Cc1ccc(Br)s1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823606240 606180111 /nfs/dbraw/zinc/18/01/11/606180111.db2.gz HGOMHLGCWCVGMJ-NRFANRHFSA-N -1 3 383.296 3.140 20 0 GGADHM Cc1oc(-c2cccs2)nc1C[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822535049 606180137 /nfs/dbraw/zinc/18/01/37/606180137.db2.gz FMWGAZUBNHQKQA-AREMUKBSSA-N -1 3 385.474 3.341 20 0 GGADHM Cc1oc(-c2cccs2)nc1C[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822535049 606180139 /nfs/dbraw/zinc/18/01/39/606180139.db2.gz FMWGAZUBNHQKQA-AREMUKBSSA-N -1 3 385.474 3.341 20 0 GGADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC000820512070 606181678 /nfs/dbraw/zinc/18/16/78/606181678.db2.gz GGRWXPKRWDGYKX-HOCLYGCPSA-N -1 3 394.431 3.028 20 0 GGADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC000820512070 606181679 /nfs/dbraw/zinc/18/16/79/606181679.db2.gz GGRWXPKRWDGYKX-HOCLYGCPSA-N -1 3 394.431 3.028 20 0 GGADHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC000820512329 606181720 /nfs/dbraw/zinc/18/17/20/606181720.db2.gz KGJSMXIWDDHVFY-RHSMWYFYSA-N -1 3 394.431 3.028 20 0 GGADHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC000820512329 606181722 /nfs/dbraw/zinc/18/17/22/606181722.db2.gz KGJSMXIWDDHVFY-RHSMWYFYSA-N -1 3 394.431 3.028 20 0 GGADHM Cc1ccc(N2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)[C@H](C)C2)cc1C ZINC000822242593 606182316 /nfs/dbraw/zinc/18/23/16/606182316.db2.gz QMQCGXDUIAATLC-MRXNPFEDSA-N -1 3 391.479 3.226 20 0 GGADHM Cc1ccc(N2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)[C@H](C)C2)cc1C ZINC000822242593 606182318 /nfs/dbraw/zinc/18/23/18/606182318.db2.gz QMQCGXDUIAATLC-MRXNPFEDSA-N -1 3 391.479 3.226 20 0 GGADHM O=C(OCCOC1CCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823405826 606182803 /nfs/dbraw/zinc/18/28/03/606182803.db2.gz WQKJYCLBQSUNTR-UHFFFAOYSA-N -1 3 380.404 3.385 20 0 GGADHM O=C(OCCOC1CCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823405826 606182804 /nfs/dbraw/zinc/18/28/04/606182804.db2.gz WQKJYCLBQSUNTR-UHFFFAOYSA-N -1 3 380.404 3.385 20 0 GGADHM COc1ccccc1C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821889883 606183257 /nfs/dbraw/zinc/18/32/57/606183257.db2.gz HEGYOUPPSXSMQA-IBGZPJMESA-N -1 3 393.491 3.191 20 0 GGADHM COc1ccccc1C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821889883 606183259 /nfs/dbraw/zinc/18/32/59/606183259.db2.gz HEGYOUPPSXSMQA-IBGZPJMESA-N -1 3 393.491 3.191 20 0 GGADHM COc1ccccc1C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821889885 606183590 /nfs/dbraw/zinc/18/35/90/606183590.db2.gz HEGYOUPPSXSMQA-LJQANCHMSA-N -1 3 393.491 3.191 20 0 GGADHM COc1ccccc1C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821889885 606183591 /nfs/dbraw/zinc/18/35/91/606183591.db2.gz HEGYOUPPSXSMQA-LJQANCHMSA-N -1 3 393.491 3.191 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C(F)(F)F)c1F ZINC000823241966 606186335 /nfs/dbraw/zinc/18/63/35/606186335.db2.gz MKPSVBOVKHJJKV-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C(F)(F)F)c1F ZINC000823241966 606186337 /nfs/dbraw/zinc/18/63/37/606186337.db2.gz MKPSVBOVKHJJKV-UHFFFAOYSA-N -1 3 383.280 3.094 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820727376 606187873 /nfs/dbraw/zinc/18/78/73/606187873.db2.gz LLIZLKPTZJNPMY-XCLFUZPHSA-N -1 3 379.439 3.378 20 0 GGADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820727376 606187874 /nfs/dbraw/zinc/18/78/74/606187874.db2.gz LLIZLKPTZJNPMY-XCLFUZPHSA-N -1 3 379.439 3.378 20 0 GGADHM C/C=C(\C)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820828048 606191760 /nfs/dbraw/zinc/19/17/60/606191760.db2.gz ZRFRFXLLWUCQIU-INJWIWPUSA-N -1 3 389.481 3.034 20 0 GGADHM C/C=C(\C)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820828048 606191762 /nfs/dbraw/zinc/19/17/62/606191762.db2.gz ZRFRFXLLWUCQIU-INJWIWPUSA-N -1 3 389.481 3.034 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(SCC)nc1 ZINC000821122918 606192444 /nfs/dbraw/zinc/19/24/44/606192444.db2.gz CAEWELWALSXOMY-UHFFFAOYSA-N -1 3 383.481 3.448 20 0 GGADHM CCC[C@H](CCO)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821020745 606193815 /nfs/dbraw/zinc/19/38/15/606193815.db2.gz HIMYVLOLCFVIFB-OAHLLOKOSA-N -1 3 395.463 3.188 20 0 GGADHM CCC[C@H](CCO)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821020745 606193816 /nfs/dbraw/zinc/19/38/16/606193816.db2.gz HIMYVLOLCFVIFB-OAHLLOKOSA-N -1 3 395.463 3.188 20 0 GGADHM CC(C)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc2N1 ZINC000820518987 606194073 /nfs/dbraw/zinc/19/40/73/606194073.db2.gz OLVZWCSBDFOICM-RDTXWAMCSA-N -1 3 392.463 3.117 20 0 GGADHM CCC[C@@H](CCO)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821023404 606194096 /nfs/dbraw/zinc/19/40/96/606194096.db2.gz ZTDSIOHEXVECKU-HNNXBMFYSA-N -1 3 379.464 3.062 20 0 GGADHM CCC[C@@H](CCO)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821023404 606194098 /nfs/dbraw/zinc/19/40/98/606194098.db2.gz ZTDSIOHEXVECKU-HNNXBMFYSA-N -1 3 379.464 3.062 20 0 GGADHM Cc1sc(NC(=O)CN2CCC[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822557773 606200930 /nfs/dbraw/zinc/20/09/30/606200930.db2.gz JWGFIXWAILZGCU-HNNXBMFYSA-N -1 3 382.493 3.321 20 0 GGADHM O[C@@H](C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000823672904 606201202 /nfs/dbraw/zinc/20/12/02/606201202.db2.gz HTKDLBWHQPAKDN-YPMHNXCESA-N -1 3 376.873 3.069 20 0 GGADHM O[C@@H](C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000823672904 606201204 /nfs/dbraw/zinc/20/12/04/606201204.db2.gz HTKDLBWHQPAKDN-YPMHNXCESA-N -1 3 376.873 3.069 20 0 GGADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1cnccn1 ZINC000820512646 606205707 /nfs/dbraw/zinc/20/57/07/606205707.db2.gz MNYUQSINISWPGJ-CYBMUJFWSA-N -1 3 388.387 3.367 20 0 GGADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cnccn1 ZINC000820512646 606205709 /nfs/dbraw/zinc/20/57/09/606205709.db2.gz MNYUQSINISWPGJ-CYBMUJFWSA-N -1 3 388.387 3.367 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000822623186 606209148 /nfs/dbraw/zinc/20/91/48/606209148.db2.gz QOBUHBIXEZQJEC-UHFFFAOYSA-N -1 3 386.459 3.090 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000822623186 606209149 /nfs/dbraw/zinc/20/91/49/606209149.db2.gz QOBUHBIXEZQJEC-UHFFFAOYSA-N -1 3 386.459 3.090 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000822655363 606217488 /nfs/dbraw/zinc/21/74/88/606217488.db2.gz FZGAHOOWDNQOJJ-UHFFFAOYSA-N -1 3 399.867 3.158 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000822655363 606217489 /nfs/dbraw/zinc/21/74/89/606217489.db2.gz FZGAHOOWDNQOJJ-UHFFFAOYSA-N -1 3 399.867 3.158 20 0 GGADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)cn3C)cc2)cs1 ZINC000822419797 606220308 /nfs/dbraw/zinc/22/03/08/606220308.db2.gz WGYRECIMUDTMET-LLVKDONJSA-N -1 3 393.476 3.128 20 0 GGADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)cn3C)cc2)cs1 ZINC000822419797 606220309 /nfs/dbraw/zinc/22/03/09/606220309.db2.gz WGYRECIMUDTMET-LLVKDONJSA-N -1 3 393.476 3.128 20 0 GGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1C ZINC000822240891 606223338 /nfs/dbraw/zinc/22/33/38/606223338.db2.gz CZIVXKUSXAZADE-UHFFFAOYSA-N -1 3 376.420 3.262 20 0 GGADHM Cc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1C ZINC000822240891 606223339 /nfs/dbraw/zinc/22/33/39/606223339.db2.gz CZIVXKUSXAZADE-UHFFFAOYSA-N -1 3 376.420 3.262 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823367652 606228703 /nfs/dbraw/zinc/22/87/03/606228703.db2.gz MOWIYIUYRVCWKA-RBUKOAKNSA-N -1 3 375.432 3.430 20 0 GGADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823367652 606228704 /nfs/dbraw/zinc/22/87/04/606228704.db2.gz MOWIYIUYRVCWKA-RBUKOAKNSA-N -1 3 375.432 3.430 20 0 GGADHM O=C(OCCCCOc1ccccc1C(F)(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823400903 606229578 /nfs/dbraw/zinc/22/95/78/606229578.db2.gz LDFKERNHFDJTDU-UHFFFAOYSA-N -1 3 395.341 3.230 20 0 GGADHM O=C(OCCCCOc1ccccc1C(F)(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823400903 606229580 /nfs/dbraw/zinc/22/95/80/606229580.db2.gz LDFKERNHFDJTDU-UHFFFAOYSA-N -1 3 395.341 3.230 20 0 GGADHM O=C(CCOCC1CC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822974706 606237748 /nfs/dbraw/zinc/23/77/48/606237748.db2.gz ZMSGBJBFUDPNTF-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM O=C(CCOCC1CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822974706 606237749 /nfs/dbraw/zinc/23/77/49/606237749.db2.gz ZMSGBJBFUDPNTF-UHFFFAOYSA-N -1 3 379.420 3.414 20 0 GGADHM COc1cccc(C(NCc2ccc(-c3nnn[n-]3)o2)c2cccc(OC)c2)c1 ZINC000821864392 606238469 /nfs/dbraw/zinc/23/84/69/606238469.db2.gz YNCUZFQHUQACFH-UHFFFAOYSA-N -1 3 391.431 3.356 20 0 GGADHM COc1cccc(C(NCc2ccc(-c3nn[n-]n3)o2)c2cccc(OC)c2)c1 ZINC000821864392 606238470 /nfs/dbraw/zinc/23/84/70/606238470.db2.gz YNCUZFQHUQACFH-UHFFFAOYSA-N -1 3 391.431 3.356 20 0 GGADHM CC(C)N1CCC[C@@H](Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1=O ZINC000820131235 606238801 /nfs/dbraw/zinc/23/88/01/606238801.db2.gz AUHOVTIYLIEYNY-LJQANCHMSA-N -1 3 392.463 3.470 20 0 GGADHM CC(C)N1CCC[C@@H](Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1=O ZINC000820131235 606238803 /nfs/dbraw/zinc/23/88/03/606238803.db2.gz AUHOVTIYLIEYNY-LJQANCHMSA-N -1 3 392.463 3.470 20 0 GGADHM C[C@@H](Nc1ccc(OC2CCC2)c(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820456151 606239457 /nfs/dbraw/zinc/23/94/57/606239457.db2.gz QQGFZDCCRMYSFY-GFCCVEGCSA-N -1 3 396.426 3.376 20 0 GGADHM C[C@@H](Nc1ccc(OC2CCC2)c(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820456151 606239458 /nfs/dbraw/zinc/23/94/58/606239458.db2.gz QQGFZDCCRMYSFY-GFCCVEGCSA-N -1 3 396.426 3.376 20 0 GGADHM O=C1[C@H](Nc2cccc(C(F)(F)F)c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511703 606242778 /nfs/dbraw/zinc/24/27/78/606242778.db2.gz IGMUETDAKXLJMR-GFCCVEGCSA-N -1 3 394.382 3.164 20 0 GGADHM O=C1[C@H](Nc2cccc(C(F)(F)F)c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511703 606242779 /nfs/dbraw/zinc/24/27/79/606242779.db2.gz IGMUETDAKXLJMR-GFCCVEGCSA-N -1 3 394.382 3.164 20 0 GGADHM CC(C)(C)c1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000819958741 606244368 /nfs/dbraw/zinc/24/43/68/606244368.db2.gz PMFQXXYWZUJCSY-OAHLLOKOSA-N -1 3 382.493 3.443 20 0 GGADHM CC(C)(C)c1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000819958741 606244370 /nfs/dbraw/zinc/24/43/70/606244370.db2.gz PMFQXXYWZUJCSY-OAHLLOKOSA-N -1 3 382.493 3.443 20 0 GGADHM O=C1[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCN1c1ccccc1Cl ZINC000823513003 606244584 /nfs/dbraw/zinc/24/45/84/606244584.db2.gz RKZJYEMFCQBMFX-AWEZNQCLSA-N -1 3 389.246 3.391 20 0 GGADHM O=C1[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCN1c1ccccc1Cl ZINC000823513003 606244586 /nfs/dbraw/zinc/24/45/86/606244586.db2.gz RKZJYEMFCQBMFX-AWEZNQCLSA-N -1 3 389.246 3.391 20 0 GGADHM O=C(NCc1ccccn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823261824 606246996 /nfs/dbraw/zinc/24/69/96/606246996.db2.gz UYHWRCLRJVFSPS-UHFFFAOYSA-N -1 3 388.456 3.343 20 0 GGADHM O=C(NCc1ccccn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823261824 606246997 /nfs/dbraw/zinc/24/69/97/606246997.db2.gz UYHWRCLRJVFSPS-UHFFFAOYSA-N -1 3 388.456 3.343 20 0 GGADHM CCCCOc1ccccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821077398 606248013 /nfs/dbraw/zinc/24/80/13/606248013.db2.gz DLXXQKDFVAOQAQ-OAHLLOKOSA-N -1 3 398.492 3.325 20 0 GGADHM CCCCOc1ccccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821077398 606248015 /nfs/dbraw/zinc/24/80/15/606248015.db2.gz DLXXQKDFVAOQAQ-OAHLLOKOSA-N -1 3 398.492 3.325 20 0 GGADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000822649638 606258060 /nfs/dbraw/zinc/25/80/60/606258060.db2.gz GSTZROVSAPFNNC-UHFFFAOYSA-N -1 3 381.465 3.365 20 0 GGADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000822649638 606258061 /nfs/dbraw/zinc/25/80/61/606258061.db2.gz GSTZROVSAPFNNC-UHFFFAOYSA-N -1 3 381.465 3.365 20 0 GGADHM Cc1cc(CNC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000822200803 606262325 /nfs/dbraw/zinc/26/23/25/606262325.db2.gz BSDDSZQFWGCCMZ-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1cc(CNC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000822200803 606262326 /nfs/dbraw/zinc/26/23/26/606262326.db2.gz BSDDSZQFWGCCMZ-UHFFFAOYSA-N -1 3 392.444 3.244 20 0 GGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822202057 606263018 /nfs/dbraw/zinc/26/30/18/606263018.db2.gz JGLZZZBEEYLPEZ-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822202057 606263020 /nfs/dbraw/zinc/26/30/20/606263020.db2.gz JGLZZZBEEYLPEZ-SNVBAGLBSA-N -1 3 375.791 3.374 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1Br ZINC000821772988 606263047 /nfs/dbraw/zinc/26/30/47/606263047.db2.gz WIRHBKMBNWHUNN-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM COc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1Br ZINC000821772988 606263049 /nfs/dbraw/zinc/26/30/49/606263049.db2.gz WIRHBKMBNWHUNN-UHFFFAOYSA-N -1 3 392.188 3.029 20 0 GGADHM O=C(CCc1ccccc1Br)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822983681 606263915 /nfs/dbraw/zinc/26/39/15/606263915.db2.gz SEVSLLKUJJCHTR-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(CCc1ccccc1Br)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822983681 606263917 /nfs/dbraw/zinc/26/39/17/606263917.db2.gz SEVSLLKUJJCHTR-UHFFFAOYSA-N -1 3 390.216 3.340 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)c(F)c1 ZINC000823345650 606265497 /nfs/dbraw/zinc/26/54/97/606265497.db2.gz BAKUHPJQWVPGKG-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)c(F)c1 ZINC000823345650 606265499 /nfs/dbraw/zinc/26/54/99/606265499.db2.gz BAKUHPJQWVPGKG-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350596 606268573 /nfs/dbraw/zinc/26/85/73/606268573.db2.gz TXWXRAIMMKXQBF-UHFFFAOYSA-N -1 3 381.783 3.288 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350596 606268574 /nfs/dbraw/zinc/26/85/74/606268574.db2.gz TXWXRAIMMKXQBF-UHFFFAOYSA-N -1 3 381.783 3.288 20 0 GGADHM O=C(Cc1ccc(Br)s1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823082852 606268985 /nfs/dbraw/zinc/26/89/85/606268985.db2.gz TYBOGCFDYIVCCF-UHFFFAOYSA-N -1 3 382.218 3.011 20 0 GGADHM O=C(Cc1ccc(Br)s1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823082852 606268987 /nfs/dbraw/zinc/26/89/87/606268987.db2.gz TYBOGCFDYIVCCF-UHFFFAOYSA-N -1 3 382.218 3.011 20 0 GGADHM CCOc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821426268 606269720 /nfs/dbraw/zinc/26/97/20/606269720.db2.gz AXXSWYDWMBLYJC-UHFFFAOYSA-N -1 3 385.399 3.202 20 0 GGADHM CCOc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821426268 606269721 /nfs/dbraw/zinc/26/97/21/606269721.db2.gz AXXSWYDWMBLYJC-UHFFFAOYSA-N -1 3 385.399 3.202 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000823460341 606270396 /nfs/dbraw/zinc/27/03/96/606270396.db2.gz MQNKYZBBIGAPDW-CQSZACIVSA-N -1 3 376.342 3.191 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000823460341 606270398 /nfs/dbraw/zinc/27/03/98/606270398.db2.gz MQNKYZBBIGAPDW-CQSZACIVSA-N -1 3 376.342 3.191 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822986986 606270844 /nfs/dbraw/zinc/27/08/44/606270844.db2.gz PKACAZYFZDULJO-UHFFFAOYSA-N -1 3 396.357 3.371 20 0 GGADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822986986 606270846 /nfs/dbraw/zinc/27/08/46/606270846.db2.gz PKACAZYFZDULJO-UHFFFAOYSA-N -1 3 396.357 3.371 20 0 GGADHM CC[C@@H](COC)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820909434 606278150 /nfs/dbraw/zinc/27/81/50/606278150.db2.gz WDTZZRYKRMFAEY-AWEZNQCLSA-N -1 3 383.477 3.173 20 0 GGADHM CC[C@@H](COC)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820909434 606278152 /nfs/dbraw/zinc/27/81/52/606278152.db2.gz WDTZZRYKRMFAEY-AWEZNQCLSA-N -1 3 383.477 3.173 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000821118707 606282719 /nfs/dbraw/zinc/28/27/19/606282719.db2.gz PTNULXPZISTTIR-UHFFFAOYSA-N -1 3 384.827 3.163 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820384578 606288583 /nfs/dbraw/zinc/28/85/83/606288583.db2.gz ILUUCBYDATVCJH-NSHDSACASA-N -1 3 397.439 3.033 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820384578 606288585 /nfs/dbraw/zinc/28/85/85/606288585.db2.gz ILUUCBYDATVCJH-NSHDSACASA-N -1 3 397.439 3.033 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823498565 606291052 /nfs/dbraw/zinc/29/10/52/606291052.db2.gz UQAUHKNTSYJXGO-UHFFFAOYSA-N -1 3 391.456 3.123 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823498565 606291054 /nfs/dbraw/zinc/29/10/54/606291054.db2.gz UQAUHKNTSYJXGO-UHFFFAOYSA-N -1 3 391.456 3.123 20 0 GGADHM COC(=O)[C@H](NCc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821645383 606297688 /nfs/dbraw/zinc/29/76/88/606297688.db2.gz YBKVQOXTZBMXAO-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821645383 606297691 /nfs/dbraw/zinc/29/76/91/606297691.db2.gz YBKVQOXTZBMXAO-OAHLLOKOSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@H](NCC1(c2ccccc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821643128 606298683 /nfs/dbraw/zinc/29/86/83/606298683.db2.gz WDGSAWREQUSNTG-LJQANCHMSA-N -1 3 391.475 3.182 20 0 GGADHM COC(=O)[C@H](NCC1(c2ccccc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821643128 606298685 /nfs/dbraw/zinc/29/86/85/606298685.db2.gz WDGSAWREQUSNTG-LJQANCHMSA-N -1 3 391.475 3.182 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H]1Cc1ccccc1 ZINC000820033851 606298814 /nfs/dbraw/zinc/29/88/14/606298814.db2.gz YUHQKXFFLXBAIZ-PXNSSMCTSA-N -1 3 391.475 3.114 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H]1Cc1ccccc1 ZINC000820033851 606298816 /nfs/dbraw/zinc/29/88/16/606298816.db2.gz YUHQKXFFLXBAIZ-PXNSSMCTSA-N -1 3 391.475 3.114 20 0 GGADHM COC(=O)[C@@H](Nc1cc(Cl)c(N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644849 606300644 /nfs/dbraw/zinc/30/06/44/606300644.db2.gz KZYWGHCFCBPWRF-AWEZNQCLSA-N -1 3 393.234 3.082 20 0 GGADHM COC(=O)[C@@H](Nc1cc(Cl)c(N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644849 606300645 /nfs/dbraw/zinc/30/06/45/606300645.db2.gz KZYWGHCFCBPWRF-AWEZNQCLSA-N -1 3 393.234 3.082 20 0 GGADHM CCOc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821422058 606301313 /nfs/dbraw/zinc/30/13/13/606301313.db2.gz LEIAAYGGEIYEAK-MRXNPFEDSA-N -1 3 387.827 3.245 20 0 GGADHM CCOc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821422058 606301314 /nfs/dbraw/zinc/30/13/14/606301314.db2.gz LEIAAYGGEIYEAK-MRXNPFEDSA-N -1 3 387.827 3.245 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641294 606301936 /nfs/dbraw/zinc/30/19/36/606301936.db2.gz ZOLOWQJTYWFXOU-KUHUBIRLSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641294 606301937 /nfs/dbraw/zinc/30/19/37/606301937.db2.gz ZOLOWQJTYWFXOU-KUHUBIRLSA-N -1 3 395.463 3.219 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(N2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645148 606302312 /nfs/dbraw/zinc/30/23/12/606302312.db2.gz SCNPFYBGZMBOQS-IBGZPJMESA-N -1 3 392.463 3.183 20 0 GGADHM COC(=O)[C@@H](Nc1cccc(N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645148 606302314 /nfs/dbraw/zinc/30/23/14/606302314.db2.gz SCNPFYBGZMBOQS-IBGZPJMESA-N -1 3 392.463 3.183 20 0 GGADHM COC(=O)[C@@H](NCCCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821643237 606305035 /nfs/dbraw/zinc/30/50/35/606305035.db2.gz YRYNLOHQHRDFOB-IBGZPJMESA-N -1 3 379.464 3.083 20 0 GGADHM COC(=O)[C@@H](NCCCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821643237 606305037 /nfs/dbraw/zinc/30/50/37/606305037.db2.gz YRYNLOHQHRDFOB-IBGZPJMESA-N -1 3 379.464 3.083 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821640143 606307323 /nfs/dbraw/zinc/30/73/23/606307323.db2.gz BNCOQFCGEJAULA-QLJPJBMISA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821640143 606307324 /nfs/dbraw/zinc/30/73/24/606307324.db2.gz BNCOQFCGEJAULA-QLJPJBMISA-N -1 3 389.818 3.224 20 0 GGADHM COC(=O)[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642461 606308269 /nfs/dbraw/zinc/30/82/69/606308269.db2.gz JMWDLISGNIXNGM-VJFUWPCTSA-N -1 3 397.866 3.270 20 0 GGADHM COC(=O)[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642461 606308271 /nfs/dbraw/zinc/30/82/71/606308271.db2.gz JMWDLISGNIXNGM-VJFUWPCTSA-N -1 3 397.866 3.270 20 0 GGADHM COC(=O)[C@H](Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644829 606310109 /nfs/dbraw/zinc/31/01/09/606310109.db2.gz KONMPOABCAVIPL-GOSISDBHSA-N -1 3 397.410 3.263 20 0 GGADHM COC(=O)[C@H](Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644829 606310110 /nfs/dbraw/zinc/31/01/10/606310110.db2.gz KONMPOABCAVIPL-GOSISDBHSA-N -1 3 397.410 3.263 20 0 GGADHM O=C1[C@H](Sc2cccc3cccnc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512157 606311361 /nfs/dbraw/zinc/31/13/61/606311361.db2.gz LPCBNAVYWAHZAM-CQSZACIVSA-N -1 3 394.485 3.374 20 0 GGADHM O=C1[C@H](Sc2cccc3cccnc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512157 606311363 /nfs/dbraw/zinc/31/13/63/606311363.db2.gz LPCBNAVYWAHZAM-CQSZACIVSA-N -1 3 394.485 3.374 20 0 GGADHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821133650 606313201 /nfs/dbraw/zinc/31/32/01/606313201.db2.gz CFYBEOCINNPFRN-UHFFFAOYSA-N -1 3 380.330 3.255 20 0 GGADHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821133650 606313202 /nfs/dbraw/zinc/31/32/02/606313202.db2.gz CFYBEOCINNPFRN-UHFFFAOYSA-N -1 3 380.330 3.255 20 0 GGADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)n1 ZINC000822198667 606313991 /nfs/dbraw/zinc/31/39/91/606313991.db2.gz FFQIHLMOCJKQLR-UHFFFAOYSA-N -1 3 392.448 3.005 20 0 GGADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)n1 ZINC000822198667 606313993 /nfs/dbraw/zinc/31/39/93/606313993.db2.gz FFQIHLMOCJKQLR-UHFFFAOYSA-N -1 3 392.448 3.005 20 0 GGADHM Cc1cccc(Oc2ncccc2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1C ZINC000822332822 606315691 /nfs/dbraw/zinc/31/56/91/606315691.db2.gz UGDRFMBIMKFRAD-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM Cc1cccc(Oc2ncccc2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1C ZINC000822332822 606315693 /nfs/dbraw/zinc/31/56/93/606315693.db2.gz UGDRFMBIMKFRAD-UHFFFAOYSA-N -1 3 375.392 3.251 20 0 GGADHM COc1ccc([C@@H](NC(=O)CSc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821777887 606327484 /nfs/dbraw/zinc/32/74/84/606327484.db2.gz NRCCQIGABDHTLL-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM COc1ccc([C@@H](NC(=O)CSc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821777887 606327485 /nfs/dbraw/zinc/32/74/85/606327485.db2.gz NRCCQIGABDHTLL-IBGZPJMESA-N -1 3 397.504 3.481 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1(C)C ZINC000821362111 606334050 /nfs/dbraw/zinc/33/40/50/606334050.db2.gz YLBHJFOFVKCLHV-KGLIPLIRSA-N -1 3 389.504 3.091 20 0 GGADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1(C)C ZINC000821362111 606334051 /nfs/dbraw/zinc/33/40/51/606334051.db2.gz YLBHJFOFVKCLHV-KGLIPLIRSA-N -1 3 389.504 3.091 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1(C)C ZINC000821362110 606334077 /nfs/dbraw/zinc/33/40/77/606334077.db2.gz YLBHJFOFVKCLHV-KBPBESRZSA-N -1 3 389.504 3.091 20 0 GGADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1(C)C ZINC000821362110 606334078 /nfs/dbraw/zinc/33/40/78/606334078.db2.gz YLBHJFOFVKCLHV-KBPBESRZSA-N -1 3 389.504 3.091 20 0 GGADHM O=C(CS[C@@H]1CCc2ccc(F)cc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823055390 606334278 /nfs/dbraw/zinc/33/42/78/606334278.db2.gz OCSHEQIDMIRTFU-QGZVFWFLSA-N -1 3 383.452 3.043 20 0 GGADHM O=C(CS[C@@H]1CCc2ccc(F)cc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823055390 606334280 /nfs/dbraw/zinc/33/42/80/606334280.db2.gz OCSHEQIDMIRTFU-QGZVFWFLSA-N -1 3 383.452 3.043 20 0 GGADHM C[C@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486308 606340274 /nfs/dbraw/zinc/34/02/74/606340274.db2.gz AKCUSUDSSLSZJA-NHYWBVRUSA-N -1 3 384.823 3.376 20 0 GGADHM C[C@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486308 606340277 /nfs/dbraw/zinc/34/02/77/606340277.db2.gz AKCUSUDSSLSZJA-NHYWBVRUSA-N -1 3 384.823 3.376 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513256 606344692 /nfs/dbraw/zinc/34/46/92/606344692.db2.gz YJBQQXFLJLNOJB-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM C[C@@H](OC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513256 606344694 /nfs/dbraw/zinc/34/46/94/606344694.db2.gz YJBQQXFLJLNOJB-GFCCVEGCSA-N -1 3 378.367 3.110 20 0 GGADHM CCOc1cccc2c1OCC(C(=O)O[C@H](C)c1ccc(-c3nnn[n-]3)cc1)=C2 ZINC000821431603 606344729 /nfs/dbraw/zinc/34/47/29/606344729.db2.gz XJZHEXHPZCLGCX-CYBMUJFWSA-N -1 3 392.415 3.346 20 0 GGADHM CCOc1cccc2c1OCC(C(=O)O[C@H](C)c1ccc(-c3nn[n-]n3)cc1)=C2 ZINC000821431603 606344730 /nfs/dbraw/zinc/34/47/30/606344730.db2.gz XJZHEXHPZCLGCX-CYBMUJFWSA-N -1 3 392.415 3.346 20 0 GGADHM COc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1OC(F)F ZINC000821858047 606346287 /nfs/dbraw/zinc/34/62/87/606346287.db2.gz CPKZSTQAPGQFSB-JTQLQIEISA-N -1 3 390.346 3.395 20 0 GGADHM COc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000821858047 606346289 /nfs/dbraw/zinc/34/62/89/606346289.db2.gz CPKZSTQAPGQFSB-JTQLQIEISA-N -1 3 390.346 3.395 20 0 GGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2oc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508270 606346465 /nfs/dbraw/zinc/34/64/65/606346465.db2.gz NRAKPCFRMMSZHM-JTQLQIEISA-N -1 3 380.335 3.030 20 0 GGADHM C[C@H](OC(=O)c1cc2cc(F)ccc2oc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508270 606346467 /nfs/dbraw/zinc/34/64/67/606346467.db2.gz NRAKPCFRMMSZHM-JTQLQIEISA-N -1 3 380.335 3.030 20 0 GGADHM C[C@@H](OC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497980 606347475 /nfs/dbraw/zinc/34/74/75/606347475.db2.gz XHQMEOKMRGDVLE-CXAGYDPISA-N -1 3 391.431 3.062 20 0 GGADHM C[C@@H](OC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497980 606347476 /nfs/dbraw/zinc/34/74/76/606347476.db2.gz XHQMEOKMRGDVLE-CXAGYDPISA-N -1 3 391.431 3.062 20 0 GGADHM COc1ccc([C@H]2CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)C2)cc1 ZINC000821786476 606347843 /nfs/dbraw/zinc/34/78/43/606347843.db2.gz DUALFGZAVVFDCZ-ZDUSSCGKSA-N -1 3 382.399 3.036 20 0 GGADHM COc1ccc([C@H]2CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000821786476 606347845 /nfs/dbraw/zinc/34/78/45/606347845.db2.gz DUALFGZAVVFDCZ-ZDUSSCGKSA-N -1 3 382.399 3.036 20 0 GGADHM Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822422842 606348991 /nfs/dbraw/zinc/34/89/91/606348991.db2.gz DNGNVKFLXBOPRT-NSHDSACASA-N -1 3 393.432 3.007 20 0 GGADHM Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822422842 606348993 /nfs/dbraw/zinc/34/89/93/606348993.db2.gz DNGNVKFLXBOPRT-NSHDSACASA-N -1 3 393.432 3.007 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000823343665 606350292 /nfs/dbraw/zinc/35/02/92/606350292.db2.gz DCTNBHZRTJSSLR-AWEZNQCLSA-N -1 3 388.790 3.305 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000823343665 606350293 /nfs/dbraw/zinc/35/02/93/606350293.db2.gz DCTNBHZRTJSSLR-AWEZNQCLSA-N -1 3 388.790 3.305 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820642002 606351982 /nfs/dbraw/zinc/35/19/82/606351982.db2.gz GGHJCZNNPUJGAS-UKRRQHHQSA-N -1 3 380.427 3.491 20 0 GGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820642002 606351984 /nfs/dbraw/zinc/35/19/84/606351984.db2.gz GGHJCZNNPUJGAS-UKRRQHHQSA-N -1 3 380.427 3.491 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820641999 606352058 /nfs/dbraw/zinc/35/20/58/606352058.db2.gz GGHJCZNNPUJGAS-HIFRSBDPSA-N -1 3 380.427 3.491 20 0 GGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820641999 606352059 /nfs/dbraw/zinc/35/20/59/606352059.db2.gz GGHJCZNNPUJGAS-HIFRSBDPSA-N -1 3 380.427 3.491 20 0 GGADHM C[C@@H](OC(=O)c1cccnc1N1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513087 606352915 /nfs/dbraw/zinc/35/29/15/606352915.db2.gz UGNSKAKCHIMKOZ-CQSZACIVSA-N -1 3 378.436 3.170 20 0 GGADHM C[C@@H](OC(=O)c1cccnc1N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513087 606352916 /nfs/dbraw/zinc/35/29/16/606352916.db2.gz UGNSKAKCHIMKOZ-CQSZACIVSA-N -1 3 378.436 3.170 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(OC2CCCCC2)CC1 ZINC000823343747 606353178 /nfs/dbraw/zinc/35/31/78/606353178.db2.gz FUSSEOCWKZAVEM-UHFFFAOYSA-N -1 3 388.447 3.351 20 0 GGADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(OC2CCCCC2)CC1 ZINC000823343747 606353179 /nfs/dbraw/zinc/35/31/79/606353179.db2.gz FUSSEOCWKZAVEM-UHFFFAOYSA-N -1 3 388.447 3.351 20 0 GGADHM C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500001 606354678 /nfs/dbraw/zinc/35/46/78/606354678.db2.gz BLDDDHJGDAYDCA-NSHDSACASA-N -1 3 381.417 3.430 20 0 GGADHM C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500001 606354680 /nfs/dbraw/zinc/35/46/80/606354680.db2.gz BLDDDHJGDAYDCA-NSHDSACASA-N -1 3 381.417 3.430 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819959087 606355145 /nfs/dbraw/zinc/35/51/45/606355145.db2.gz XTCPRKRHEXJMIV-QGZVFWFLSA-N -1 3 398.442 3.158 20 0 GGADHM CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819959087 606355146 /nfs/dbraw/zinc/35/51/46/606355146.db2.gz XTCPRKRHEXJMIV-QGZVFWFLSA-N -1 3 398.442 3.158 20 0 GGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1F ZINC000822021063 606357168 /nfs/dbraw/zinc/35/71/68/606357168.db2.gz ULKDVRKRHYQRCS-CYBMUJFWSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1F ZINC000822021063 606357169 /nfs/dbraw/zinc/35/71/69/606357169.db2.gz ULKDVRKRHYQRCS-CYBMUJFWSA-N -1 3 392.394 3.418 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@@H](C)c2cccc(OC)c2)n1 ZINC000821343859 606360714 /nfs/dbraw/zinc/36/07/14/606360714.db2.gz WQAYUYGUTNQWOS-NSHDSACASA-N -1 3 385.449 3.300 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@@H](C)c2cccc(OC)c2)n1 ZINC000821343859 606360716 /nfs/dbraw/zinc/36/07/16/606360716.db2.gz WQAYUYGUTNQWOS-NSHDSACASA-N -1 3 385.449 3.300 20 0 GGADHM Cc1cc(C)n(CC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822198027 606361274 /nfs/dbraw/zinc/36/12/74/606361274.db2.gz ZDPMZUIQTYAATR-UHFFFAOYSA-N -1 3 390.403 3.078 20 0 GGADHM Cc1cc(C)n(CC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822198027 606361275 /nfs/dbraw/zinc/36/12/75/606361275.db2.gz ZDPMZUIQTYAATR-UHFFFAOYSA-N -1 3 390.403 3.078 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820939471 606362493 /nfs/dbraw/zinc/36/24/93/606362493.db2.gz VJJSJUHKRYEFAU-MRXNPFEDSA-N -1 3 385.855 3.336 20 0 GGADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820939471 606362494 /nfs/dbraw/zinc/36/24/94/606362494.db2.gz VJJSJUHKRYEFAU-MRXNPFEDSA-N -1 3 385.855 3.336 20 0 GGADHM COCCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821693935 606363050 /nfs/dbraw/zinc/36/30/50/606363050.db2.gz VKSTXKUQFWYRFU-UHFFFAOYSA-N -1 3 387.827 3.106 20 0 GGADHM COCCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821693935 606363052 /nfs/dbraw/zinc/36/30/52/606363052.db2.gz VKSTXKUQFWYRFU-UHFFFAOYSA-N -1 3 387.827 3.106 20 0 GGADHM CC(C)CC(=O)COC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820051351 606369647 /nfs/dbraw/zinc/36/96/47/606369647.db2.gz NVZKEWKPTGJXDM-UHFFFAOYSA-N -1 3 394.431 3.218 20 0 GGADHM CC(C)CC(=O)COC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820051351 606369649 /nfs/dbraw/zinc/36/96/49/606369649.db2.gz NVZKEWKPTGJXDM-UHFFFAOYSA-N -1 3 394.431 3.218 20 0 GGADHM C[C@H](CC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)CC(C)(C)C ZINC000820225661 606371343 /nfs/dbraw/zinc/37/13/43/606371343.db2.gz OOHUOKZDYCTLCN-DGCLKSJQSA-N -1 3 391.497 3.039 20 0 GGADHM C[C@H](CC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)CC(C)(C)C ZINC000820225661 606371345 /nfs/dbraw/zinc/37/13/45/606371345.db2.gz OOHUOKZDYCTLCN-DGCLKSJQSA-N -1 3 391.497 3.039 20 0 GGADHM CCC(=CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820833543 606374046 /nfs/dbraw/zinc/37/40/46/606374046.db2.gz YWYMZUBYVMSWCO-FNDLEWIFSA-N -1 3 392.415 3.118 20 0 GGADHM CCC(=CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820833543 606374049 /nfs/dbraw/zinc/37/40/49/606374049.db2.gz YWYMZUBYVMSWCO-FNDLEWIFSA-N -1 3 392.415 3.118 20 0 GGADHM CC[C@H](CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820882765 606374081 /nfs/dbraw/zinc/37/40/81/606374081.db2.gz ZYQWBAGOYGEYIY-KUHUBIRLSA-N -1 3 394.431 3.208 20 0 GGADHM CC[C@H](CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820882765 606374083 /nfs/dbraw/zinc/37/40/83/606374083.db2.gz ZYQWBAGOYGEYIY-KUHUBIRLSA-N -1 3 394.431 3.208 20 0 GGADHM COC(=O)[C@@H](OC(=O)C[C@@H](C)c1ccccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821647165 606378689 /nfs/dbraw/zinc/37/86/89/606378689.db2.gz UXEHRHJXRSNKNT-KUHUBIRLSA-N -1 3 394.431 3.126 20 0 GGADHM COC(=O)[C@@H](OC(=O)C[C@@H](C)c1ccccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821647165 606378690 /nfs/dbraw/zinc/37/86/90/606378690.db2.gz UXEHRHJXRSNKNT-KUHUBIRLSA-N -1 3 394.431 3.126 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CC12CCOCC2 ZINC000823350466 606379147 /nfs/dbraw/zinc/37/91/47/606379147.db2.gz OCJNSCKCTZWLIQ-SFHVURJKSA-N -1 3 391.431 3.414 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CC12CCOCC2 ZINC000823350466 606379148 /nfs/dbraw/zinc/37/91/48/606379148.db2.gz OCJNSCKCTZWLIQ-SFHVURJKSA-N -1 3 391.431 3.414 20 0 GGADHM O=C(CC[C@@H]1CCOC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822950360 606381581 /nfs/dbraw/zinc/38/15/81/606381581.db2.gz LASPEIJTTIZPTC-MRXNPFEDSA-N -1 3 378.432 3.394 20 0 GGADHM O=C(CC[C@@H]1CCOC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822950360 606381583 /nfs/dbraw/zinc/38/15/83/606381583.db2.gz LASPEIJTTIZPTC-MRXNPFEDSA-N -1 3 378.432 3.394 20 0 GGADHM CCCCCn1nc(C)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821060332 606382039 /nfs/dbraw/zinc/38/20/39/606382039.db2.gz AQUVCZXUWYBPBW-UHFFFAOYSA-N -1 3 386.435 3.023 20 0 GGADHM CCCCCn1nc(C)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821060332 606382041 /nfs/dbraw/zinc/38/20/41/606382041.db2.gz AQUVCZXUWYBPBW-UHFFFAOYSA-N -1 3 386.435 3.023 20 0 GGADHM Cc1ccccc1Nc1nc(COC(=O)c2cc(-c3nnn[n-]3)cn2C)cs1 ZINC000822362565 606386413 /nfs/dbraw/zinc/38/64/13/606386413.db2.gz YRBKAUYPXLBAQP-UHFFFAOYSA-N -1 3 395.448 3.071 20 0 GGADHM Cc1ccccc1Nc1nc(COC(=O)c2cc(-c3nn[n-]n3)cn2C)cs1 ZINC000822362565 606386415 /nfs/dbraw/zinc/38/64/15/606386415.db2.gz YRBKAUYPXLBAQP-UHFFFAOYSA-N -1 3 395.448 3.071 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820642466 606393122 /nfs/dbraw/zinc/39/31/22/606393122.db2.gz IQVICDZCDIRINQ-DYVFJYSZSA-N -1 3 380.427 3.093 20 0 GGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820642466 606393124 /nfs/dbraw/zinc/39/31/24/606393124.db2.gz IQVICDZCDIRINQ-DYVFJYSZSA-N -1 3 380.427 3.093 20 0 GGADHM C[C@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488702 606399378 /nfs/dbraw/zinc/39/93/78/606399378.db2.gz SDBZHHUTDRNZDR-LBPRGKRZSA-N -1 3 395.394 3.029 20 0 GGADHM C[C@H](OC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488702 606399379 /nfs/dbraw/zinc/39/93/79/606399379.db2.gz SDBZHHUTDRNZDR-LBPRGKRZSA-N -1 3 395.394 3.029 20 0 GGADHM CC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000820987886 606404142 /nfs/dbraw/zinc/40/41/42/606404142.db2.gz BSVNQNALVHIJPV-INIZCTEOSA-N -1 3 383.477 3.095 20 0 GGADHM CC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000820987886 606404143 /nfs/dbraw/zinc/40/41/43/606404143.db2.gz BSVNQNALVHIJPV-INIZCTEOSA-N -1 3 383.477 3.095 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(F)c(Br)c1 ZINC000822000759 606407420 /nfs/dbraw/zinc/40/74/20/606407420.db2.gz XXGLPMUMRBWLOS-MRVPVSSYSA-N -1 3 394.204 3.025 20 0 GGADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(F)c(Br)c1 ZINC000822000759 606407421 /nfs/dbraw/zinc/40/74/21/606407421.db2.gz XXGLPMUMRBWLOS-MRVPVSSYSA-N -1 3 394.204 3.025 20 0 GGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1OCC(F)(F)F ZINC000821835043 606411408 /nfs/dbraw/zinc/41/14/08/606411408.db2.gz BYQTUZNOQQHESI-UHFFFAOYSA-N -1 3 385.371 3.490 20 0 GGADHM CCCCO[C@@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821073102 606414353 /nfs/dbraw/zinc/41/43/53/606414353.db2.gz YAFHZQIDQIWUJO-JKSUJKDBSA-N -1 3 388.541 3.479 20 0 GGADHM CCCCO[C@@H]1C[C@H](N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821073102 606414354 /nfs/dbraw/zinc/41/43/54/606414354.db2.gz YAFHZQIDQIWUJO-JKSUJKDBSA-N -1 3 388.541 3.479 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000819876905 606426902 /nfs/dbraw/zinc/42/69/02/606426902.db2.gz JYKKWYPKESHANZ-PXAZEXFGSA-N -1 3 382.855 3.294 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000819876905 606426903 /nfs/dbraw/zinc/42/69/03/606426903.db2.gz JYKKWYPKESHANZ-PXAZEXFGSA-N -1 3 382.855 3.294 20 0 GGADHM C[S@@](=O)c1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821943158 606431026 /nfs/dbraw/zinc/43/10/26/606431026.db2.gz TXAQWMMPLMJROG-AREMUKBSSA-N -1 3 381.383 3.235 20 0 GGADHM C[S@@](=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821943158 606431028 /nfs/dbraw/zinc/43/10/28/606431028.db2.gz TXAQWMMPLMJROG-AREMUKBSSA-N -1 3 381.383 3.235 20 0 GGADHM O=S(=O)(Cc1cccc(Nc2ncccc2-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823567344 606432995 /nfs/dbraw/zinc/43/29/95/606432995.db2.gz QQDHSBJQHYSHJM-UHFFFAOYSA-N -1 3 398.492 3.253 20 0 GGADHM O=S(=O)(Cc1cccc(Nc2ncccc2-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823567344 606432996 /nfs/dbraw/zinc/43/29/96/606432996.db2.gz QQDHSBJQHYSHJM-UHFFFAOYSA-N -1 3 398.492 3.253 20 0 GGADHM O=[S@](Cc1ccccc1)Cc1cccc(Nc2ncccc2-c2nnn[n-]2)c1 ZINC000823614998 606433221 /nfs/dbraw/zinc/43/32/21/606433221.db2.gz WVHGLGYTCPMWBG-MUUNZHRXSA-N -1 3 390.472 3.454 20 0 GGADHM O=[S@](Cc1ccccc1)Cc1cccc(Nc2ncccc2-c2nn[n-]n2)c1 ZINC000823614998 606433222 /nfs/dbraw/zinc/43/32/22/606433222.db2.gz WVHGLGYTCPMWBG-MUUNZHRXSA-N -1 3 390.472 3.454 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000822223899 606434655 /nfs/dbraw/zinc/43/46/55/606434655.db2.gz OMGIUAYWJIFREL-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000822223899 606434657 /nfs/dbraw/zinc/43/46/57/606434657.db2.gz OMGIUAYWJIFREL-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM Cc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1F ZINC000443009973 606435728 /nfs/dbraw/zinc/43/57/28/606435728.db2.gz CLLNOUXLDMTWDS-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM Cc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1F ZINC000443009973 606435731 /nfs/dbraw/zinc/43/57/31/606435731.db2.gz CLLNOUXLDMTWDS-JTQLQIEISA-N -1 3 395.847 3.007 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C[C@H]1C ZINC000820742987 606436767 /nfs/dbraw/zinc/43/67/67/606436767.db2.gz OVIMRJYEVQSSFR-TXEJJXNPSA-N -1 3 383.481 3.034 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C[C@H]1C ZINC000820742987 606436769 /nfs/dbraw/zinc/43/67/69/606436769.db2.gz OVIMRJYEVQSSFR-TXEJJXNPSA-N -1 3 383.481 3.034 20 0 GGADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000822211875 606438651 /nfs/dbraw/zinc/43/86/51/606438651.db2.gz RUGZQVVCZNZCQS-HALDLXJZSA-N -1 3 376.420 3.347 20 0 GGADHM CC(=O)Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000819818900 606443004 /nfs/dbraw/zinc/44/30/04/606443004.db2.gz XTMMFSMSRYPMNF-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM CC(=O)Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000819818900 606443006 /nfs/dbraw/zinc/44/30/06/606443006.db2.gz XTMMFSMSRYPMNF-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM Cc1ccc([C@@H](CN2CCOCC2)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000822230796 606444144 /nfs/dbraw/zinc/44/41/44/606444144.db2.gz QMVHDVFUWARTQF-LJQANCHMSA-N -1 3 398.898 3.314 20 0 GGADHM Cc1ccc([C@@H](CN2CCOCC2)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000822230796 606444146 /nfs/dbraw/zinc/44/41/46/606444146.db2.gz QMVHDVFUWARTQF-LJQANCHMSA-N -1 3 398.898 3.314 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000820536851 606447586 /nfs/dbraw/zinc/44/75/86/606447586.db2.gz YGGOSAOQIPUXAU-AWEZNQCLSA-N -1 3 395.438 3.179 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000820536851 606447588 /nfs/dbraw/zinc/44/75/88/606447588.db2.gz YGGOSAOQIPUXAU-AWEZNQCLSA-N -1 3 395.438 3.179 20 0 GGADHM CCC1(CNC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000820962042 606448407 /nfs/dbraw/zinc/44/84/07/606448407.db2.gz GKTRBVGYRSJXJC-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM CCC1(CNC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000820962042 606448409 /nfs/dbraw/zinc/44/84/09/606448409.db2.gz GKTRBVGYRSJXJC-UHFFFAOYSA-N -1 3 377.448 3.366 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000820535954 606448940 /nfs/dbraw/zinc/44/89/40/606448940.db2.gz RFGMLZWNJZXWBZ-CQSZACIVSA-N -1 3 395.438 3.179 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000820535954 606448942 /nfs/dbraw/zinc/44/89/42/606448942.db2.gz RFGMLZWNJZXWBZ-CQSZACIVSA-N -1 3 395.438 3.179 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823032478 606450173 /nfs/dbraw/zinc/45/01/73/606450173.db2.gz VXPAJWQMXLLZAQ-UHFFFAOYSA-N -1 3 395.850 3.215 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823087236 606450246 /nfs/dbraw/zinc/45/02/46/606450246.db2.gz LLEURJQGNMFROL-UHFFFAOYSA-N -1 3 379.851 3.379 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823087236 606450248 /nfs/dbraw/zinc/45/02/48/606450248.db2.gz LLEURJQGNMFROL-UHFFFAOYSA-N -1 3 379.851 3.379 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CNc1cc(-c2nnn[n-]2)ccc1C ZINC000821001365 606453600 /nfs/dbraw/zinc/45/36/00/606453600.db2.gz QSPCJUZGKOQZSJ-MRXNPFEDSA-N -1 3 382.493 3.185 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1C(=O)CNc1cc(-c2nn[n-]n2)ccc1C ZINC000821001365 606453601 /nfs/dbraw/zinc/45/36/01/606453601.db2.gz QSPCJUZGKOQZSJ-MRXNPFEDSA-N -1 3 382.493 3.185 20 0 GGADHM FC(F)(F)CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)CC1CCC1 ZINC000822718344 606455388 /nfs/dbraw/zinc/45/53/88/606455388.db2.gz ILTBGFOHSZPCDK-UHFFFAOYSA-N -1 3 393.373 3.081 20 0 GGADHM FC(F)(F)CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)CC1CCC1 ZINC000822718344 606455389 /nfs/dbraw/zinc/45/53/89/606455389.db2.gz ILTBGFOHSZPCDK-UHFFFAOYSA-N -1 3 393.373 3.081 20 0 GGADHM FC(F)(F)CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)CC1CCC1 ZINC000822718960 606455448 /nfs/dbraw/zinc/45/54/48/606455448.db2.gz WNHCVIKYFFTLRH-UHFFFAOYSA-N -1 3 393.373 3.081 20 0 GGADHM FC(F)(F)CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)CC1CCC1 ZINC000822718960 606455449 /nfs/dbraw/zinc/45/54/49/606455449.db2.gz WNHCVIKYFFTLRH-UHFFFAOYSA-N -1 3 393.373 3.081 20 0 GGADHM C[C@@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000820327686 606456897 /nfs/dbraw/zinc/45/68/97/606456897.db2.gz IJKBBESSUDIRFU-CYBMUJFWSA-N -1 3 390.422 3.448 20 0 GGADHM C[C@@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000820327686 606456898 /nfs/dbraw/zinc/45/68/98/606456898.db2.gz IJKBBESSUDIRFU-CYBMUJFWSA-N -1 3 390.422 3.448 20 0 GGADHM COc1ccc(Br)cc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821769502 606457450 /nfs/dbraw/zinc/45/74/50/606457450.db2.gz IHGIQVCZOQEUTM-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(Br)cc1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821769502 606457451 /nfs/dbraw/zinc/45/74/51/606457451.db2.gz IHGIQVCZOQEUTM-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821476546 606461579 /nfs/dbraw/zinc/46/15/79/606461579.db2.gz PHZZVVQMCBHXDW-UHFFFAOYSA-N -1 3 382.401 3.125 20 0 GGADHM CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821476546 606461580 /nfs/dbraw/zinc/46/15/80/606461580.db2.gz PHZZVVQMCBHXDW-UHFFFAOYSA-N -1 3 382.401 3.125 20 0 GGADHM CN(Cc1cccs1)C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821615818 606462849 /nfs/dbraw/zinc/46/28/49/606462849.db2.gz OZFGHKRYNRIIEC-UHFFFAOYSA-N -1 3 396.398 3.018 20 0 GGADHM CN(Cc1cccs1)C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821615818 606462851 /nfs/dbraw/zinc/46/28/51/606462851.db2.gz OZFGHKRYNRIIEC-UHFFFAOYSA-N -1 3 396.398 3.018 20 0 GGADHM COc1cccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821859673 606468687 /nfs/dbraw/zinc/46/86/87/606468687.db2.gz RRGZTIQPDUBVDH-UHFFFAOYSA-N -1 3 389.371 3.282 20 0 GGADHM Cc1cc(N2CCCC[C@@H]2c2ncc[nH]2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822206814 606481458 /nfs/dbraw/zinc/48/14/58/606481458.db2.gz ABUOCRTVIQIQFU-MRXNPFEDSA-N -1 3 399.462 3.431 20 0 GGADHM Cc1cc(N2CCCC[C@@H]2c2ncc[nH]2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822206814 606481460 /nfs/dbraw/zinc/48/14/60/606481460.db2.gz ABUOCRTVIQIQFU-MRXNPFEDSA-N -1 3 399.462 3.431 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822486488 606484133 /nfs/dbraw/zinc/48/41/33/606484133.db2.gz LMEWUOLGWAPPIE-UHFFFAOYSA-N -1 3 380.433 3.088 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822486488 606484134 /nfs/dbraw/zinc/48/41/34/606484134.db2.gz LMEWUOLGWAPPIE-UHFFFAOYSA-N -1 3 380.433 3.088 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cs1 ZINC000822418613 606485846 /nfs/dbraw/zinc/48/58/46/606485846.db2.gz ACBJUVBOWDPPMO-UHFFFAOYSA-N -1 3 382.474 3.290 20 0 GGADHM Cc1nc(-c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cs1 ZINC000822418613 606485848 /nfs/dbraw/zinc/48/58/48/606485848.db2.gz ACBJUVBOWDPPMO-UHFFFAOYSA-N -1 3 382.474 3.290 20 0 GGADHM Cc1nc(-c2ccc(CCNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cs1 ZINC000822418643 606486011 /nfs/dbraw/zinc/48/60/11/606486011.db2.gz BHBXYVUCKGSTGJ-UHFFFAOYSA-N -1 3 396.501 3.333 20 0 GGADHM Cc1nc(-c2ccc(CCNC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cs1 ZINC000822418643 606486012 /nfs/dbraw/zinc/48/60/12/606486012.db2.gz BHBXYVUCKGSTGJ-UHFFFAOYSA-N -1 3 396.501 3.333 20 0 GGADHM O=C(NCCCCOc1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823188483 606486228 /nfs/dbraw/zinc/48/62/28/606486228.db2.gz ZSVQGICQBPFMPZ-UHFFFAOYSA-N -1 3 377.857 3.171 20 0 GGADHM O=C(NCCCCOc1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823188483 606486230 /nfs/dbraw/zinc/48/62/30/606486230.db2.gz ZSVQGICQBPFMPZ-UHFFFAOYSA-N -1 3 377.857 3.171 20 0 GGADHM CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000821417022 606491666 /nfs/dbraw/zinc/49/16/66/606491666.db2.gz HAPQXKRKUWTVHC-CQSZACIVSA-N -1 3 395.463 3.084 20 0 GGADHM CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000821417022 606491667 /nfs/dbraw/zinc/49/16/67/606491667.db2.gz HAPQXKRKUWTVHC-CQSZACIVSA-N -1 3 395.463 3.084 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000820335402 606492979 /nfs/dbraw/zinc/49/29/79/606492979.db2.gz XYPBTJFQGMIURL-LLVKDONJSA-N -1 3 386.253 3.049 20 0 GGADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000820335402 606492981 /nfs/dbraw/zinc/49/29/81/606492981.db2.gz XYPBTJFQGMIURL-LLVKDONJSA-N -1 3 386.253 3.049 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC000821390282 606493529 /nfs/dbraw/zinc/49/35/29/606493529.db2.gz WVAJPTCQJUHZNS-MRXNPFEDSA-N -1 3 382.420 3.337 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC000821390282 606493531 /nfs/dbraw/zinc/49/35/31/606493531.db2.gz WVAJPTCQJUHZNS-MRXNPFEDSA-N -1 3 382.420 3.337 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(COc2ccccc2)cs1 ZINC000823109226 606493974 /nfs/dbraw/zinc/49/39/74/606493974.db2.gz ZZIIIFCEFWXNAD-UHFFFAOYSA-N -1 3 392.444 3.083 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(COc2ccccc2)cs1 ZINC000823109226 606493975 /nfs/dbraw/zinc/49/39/75/606493975.db2.gz ZZIIIFCEFWXNAD-UHFFFAOYSA-N -1 3 392.444 3.083 20 0 GGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570757 606494862 /nfs/dbraw/zinc/49/48/62/606494862.db2.gz QPSXNUKSEZEALE-GFCCVEGCSA-N -1 3 378.461 3.239 20 0 GGADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570757 606494864 /nfs/dbraw/zinc/49/48/64/606494864.db2.gz QPSXNUKSEZEALE-GFCCVEGCSA-N -1 3 378.461 3.239 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1NC(=O)c1ccco1 ZINC000822208272 606497976 /nfs/dbraw/zinc/49/79/76/606497976.db2.gz JVMBMDHICBYPNL-UHFFFAOYSA-N -1 3 394.416 3.334 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1NC(=O)c1ccco1 ZINC000822208272 606497978 /nfs/dbraw/zinc/49/79/78/606497978.db2.gz JVMBMDHICBYPNL-UHFFFAOYSA-N -1 3 394.416 3.334 20 0 GGADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)n(-c2cccc(Cl)c2)n1 ZINC000822208373 606498474 /nfs/dbraw/zinc/49/84/74/606498474.db2.gz OUVKBWVXHVVTEO-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)n(-c2cccc(Cl)c2)n1 ZINC000822208373 606498476 /nfs/dbraw/zinc/49/84/76/606498476.db2.gz OUVKBWVXHVVTEO-UHFFFAOYSA-N -1 3 393.838 3.195 20 0 GGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(-c2nnn[n-]2)cs1 ZINC000823373408 606498728 /nfs/dbraw/zinc/49/87/28/606498728.db2.gz YLADUMDOKPNBCJ-CYBMUJFWSA-N -1 3 385.449 3.128 20 0 GGADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)cs1 ZINC000823373408 606498729 /nfs/dbraw/zinc/49/87/29/606498729.db2.gz YLADUMDOKPNBCJ-CYBMUJFWSA-N -1 3 385.449 3.128 20 0 GGADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823269586 606499387 /nfs/dbraw/zinc/49/93/87/606499387.db2.gz JMJGFDFTRUXTSZ-UHFFFAOYSA-N -1 3 376.854 3.121 20 0 GGADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823269586 606499389 /nfs/dbraw/zinc/49/93/89/606499389.db2.gz JMJGFDFTRUXTSZ-UHFFFAOYSA-N -1 3 376.854 3.121 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CCc1ccccc1)Cc1ccncc1 ZINC000823467634 606503229 /nfs/dbraw/zinc/50/32/29/606503229.db2.gz ZXTSGLVGSHDXST-UHFFFAOYSA-N -1 3 390.472 3.208 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CCc1ccccc1)Cc1ccncc1 ZINC000823467634 606503231 /nfs/dbraw/zinc/50/32/31/606503231.db2.gz ZXTSGLVGSHDXST-UHFFFAOYSA-N -1 3 390.472 3.208 20 0 GGADHM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000820142118 606505270 /nfs/dbraw/zinc/50/52/70/606505270.db2.gz GNUSUVSVXWXVFA-UHFFFAOYSA-N -1 3 391.840 3.399 20 0 GGADHM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000820142118 606505272 /nfs/dbraw/zinc/50/52/72/606505272.db2.gz GNUSUVSVXWXVFA-UHFFFAOYSA-N -1 3 391.840 3.399 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000823472284 606508396 /nfs/dbraw/zinc/50/83/96/606508396.db2.gz GXSREFDUUUADMP-UHFFFAOYSA-N -1 3 375.404 3.226 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000823472284 606508398 /nfs/dbraw/zinc/50/83/98/606508398.db2.gz GXSREFDUUUADMP-UHFFFAOYSA-N -1 3 375.404 3.226 20 0 GGADHM COc1ccccc1[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000821882716 606509564 /nfs/dbraw/zinc/50/95/64/606509564.db2.gz IYVJLVQQOCRCBA-GOSISDBHSA-N -1 3 391.456 3.456 20 0 GGADHM COc1ccccc1[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000821882716 606509566 /nfs/dbraw/zinc/50/95/66/606509566.db2.gz IYVJLVQQOCRCBA-GOSISDBHSA-N -1 3 391.456 3.456 20 0 GGADHM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140523 606510043 /nfs/dbraw/zinc/51/00/43/606510043.db2.gz VVAVEHKRIWZZSY-KRWDZBQOSA-N -1 3 391.456 3.478 20 0 GGADHM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140523 606510044 /nfs/dbraw/zinc/51/00/44/606510044.db2.gz VVAVEHKRIWZZSY-KRWDZBQOSA-N -1 3 391.456 3.478 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819950627 606511730 /nfs/dbraw/zinc/51/17/30/606511730.db2.gz KJNRXNCASJVWBY-AREMUKBSSA-N -1 3 389.506 3.228 20 0 GGADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819950627 606511732 /nfs/dbraw/zinc/51/17/32/606511732.db2.gz KJNRXNCASJVWBY-AREMUKBSSA-N -1 3 389.506 3.228 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820836607 606512837 /nfs/dbraw/zinc/51/28/37/606512837.db2.gz CQOASCUSDFHTSR-UHFFFAOYSA-N -1 3 384.827 3.050 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820836607 606512838 /nfs/dbraw/zinc/51/28/38/606512838.db2.gz CQOASCUSDFHTSR-UHFFFAOYSA-N -1 3 384.827 3.050 20 0 GGADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821613316 606514884 /nfs/dbraw/zinc/51/48/84/606514884.db2.gz HZIFSRIUFNPHCN-UHFFFAOYSA-N -1 3 375.354 3.087 20 0 GGADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821613316 606514886 /nfs/dbraw/zinc/51/48/86/606514886.db2.gz HZIFSRIUFNPHCN-UHFFFAOYSA-N -1 3 375.354 3.087 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000823466409 606519824 /nfs/dbraw/zinc/51/98/24/606519824.db2.gz LXSPUUJPWLXVTI-UHFFFAOYSA-N -1 3 385.346 3.272 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000823466409 606519826 /nfs/dbraw/zinc/51/98/26/606519826.db2.gz LXSPUUJPWLXVTI-UHFFFAOYSA-N -1 3 385.346 3.272 20 0 GGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819928660 606520347 /nfs/dbraw/zinc/52/03/47/606520347.db2.gz UBVFQOOQTYUKHA-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819928660 606520349 /nfs/dbraw/zinc/52/03/49/606520349.db2.gz UBVFQOOQTYUKHA-UHFFFAOYSA-N -1 3 385.449 3.065 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC000821650266 606520756 /nfs/dbraw/zinc/52/07/56/606520756.db2.gz NRHNEMZEIPMBCR-IBGZPJMESA-N -1 3 395.438 3.100 20 0 GGADHM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc(C(F)(F)F)cs1 ZINC000820920870 606523718 /nfs/dbraw/zinc/52/37/18/606523718.db2.gz UBQQGXQKYUKRNZ-ZETCQYMHSA-N -1 3 388.400 3.285 20 0 GGADHM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc(C(F)(F)F)cs1 ZINC000820920870 606523720 /nfs/dbraw/zinc/52/37/20/606523720.db2.gz UBQQGXQKYUKRNZ-ZETCQYMHSA-N -1 3 388.400 3.285 20 0 GGADHM Cc1oc(NC(=O)CN2CCC(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000822548968 606524603 /nfs/dbraw/zinc/52/46/03/606524603.db2.gz QFOADFSQVXLSFV-UHFFFAOYSA-N -1 3 398.442 3.034 20 0 GGADHM Cc1oc(NC(=O)CN2CCC(c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000822548968 606524604 /nfs/dbraw/zinc/52/46/04/606524604.db2.gz QFOADFSQVXLSFV-UHFFFAOYSA-N -1 3 398.442 3.034 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820353413 606529317 /nfs/dbraw/zinc/52/93/17/606529317.db2.gz ZTYMCQJCAPJFLM-QJNYJZHLSA-N -1 3 392.463 3.180 20 0 GGADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820353413 606529319 /nfs/dbraw/zinc/52/93/19/606529319.db2.gz ZTYMCQJCAPJFLM-QJNYJZHLSA-N -1 3 392.463 3.180 20 0 GGADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821596232 606539871 /nfs/dbraw/zinc/53/98/71/606539871.db2.gz DWATYXXWNXFDQR-PBHICJAKSA-N -1 3 383.477 3.168 20 0 GGADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821596232 606539873 /nfs/dbraw/zinc/53/98/73/606539873.db2.gz DWATYXXWNXFDQR-PBHICJAKSA-N -1 3 383.477 3.168 20 0 GGADHM COc1ccc(C2(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)CCCC2)cc1 ZINC000821782658 606544552 /nfs/dbraw/zinc/54/45/52/606544552.db2.gz JLXRYRSCTPXBHV-UHFFFAOYSA-N -1 3 377.448 3.004 20 0 GGADHM COc1ccc(C2(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)CCCC2)cc1 ZINC000821782658 606544554 /nfs/dbraw/zinc/54/45/54/606544554.db2.gz JLXRYRSCTPXBHV-UHFFFAOYSA-N -1 3 377.448 3.004 20 0 GGADHM Cc1cc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191820 606547884 /nfs/dbraw/zinc/54/78/84/606547884.db2.gz RREYRYAAZIGBBS-LIRRHRJNSA-N -1 3 394.454 3.160 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000823093587 606551231 /nfs/dbraw/zinc/55/12/31/606551231.db2.gz YRPDUROTXONRDC-AZUAARDMSA-N -1 3 375.476 3.327 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000823093587 606551233 /nfs/dbraw/zinc/55/12/33/606551233.db2.gz YRPDUROTXONRDC-AZUAARDMSA-N -1 3 375.476 3.327 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821883683 606555559 /nfs/dbraw/zinc/55/55/59/606555559.db2.gz ZGUCXFGWTDDUKN-QFIPXVFZSA-N -1 3 399.454 3.324 20 0 GGADHM COc1ccccc1[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821883683 606555560 /nfs/dbraw/zinc/55/55/60/606555560.db2.gz ZGUCXFGWTDDUKN-QFIPXVFZSA-N -1 3 399.454 3.324 20 0 GGADHM Cc1noc(C(C)C)c1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822519365 606557798 /nfs/dbraw/zinc/55/77/98/606557798.db2.gz DZJUOMDKMNFGPR-UHFFFAOYSA-N -1 3 393.350 3.245 20 0 GGADHM Cc1noc(C(C)C)c1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822519365 606557799 /nfs/dbraw/zinc/55/77/99/606557799.db2.gz DZJUOMDKMNFGPR-UHFFFAOYSA-N -1 3 393.350 3.245 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822194317 606564165 /nfs/dbraw/zinc/56/41/65/606564165.db2.gz RTEONGAHJJJKIV-GFCCVEGCSA-N -1 3 385.449 3.037 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822194317 606564168 /nfs/dbraw/zinc/56/41/68/606564168.db2.gz RTEONGAHJJJKIV-GFCCVEGCSA-N -1 3 385.449 3.037 20 0 GGADHM O=C(OCc1ccc(OCc2ccccn2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823426365 606564919 /nfs/dbraw/zinc/56/49/19/606564919.db2.gz FYMYTVXWTKNUGM-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM O=C(OCc1ccc(OCc2ccccn2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823426365 606564921 /nfs/dbraw/zinc/56/49/21/606564921.db2.gz FYMYTVXWTKNUGM-UHFFFAOYSA-N -1 3 393.428 3.259 20 0 GGADHM C[C@H]1SCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000820822591 606566138 /nfs/dbraw/zinc/56/61/38/606566138.db2.gz ZYEAHLCZICCLFE-AUUYWEPGSA-N -1 3 379.489 3.114 20 0 GGADHM C[C@H]1SCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820822591 606566140 /nfs/dbraw/zinc/56/61/40/606566140.db2.gz ZYEAHLCZICCLFE-AUUYWEPGSA-N -1 3 379.489 3.114 20 0 GGADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000823022226 606567808 /nfs/dbraw/zinc/56/78/08/606567808.db2.gz AXPBGCMLOWPARW-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000823022226 606567809 /nfs/dbraw/zinc/56/78/09/606567809.db2.gz AXPBGCMLOWPARW-UHFFFAOYSA-N -1 3 398.231 3.031 20 0 GGADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1OCC(F)(F)F ZINC000822208113 606568030 /nfs/dbraw/zinc/56/80/30/606568030.db2.gz BEFWINXCKJTXDL-UHFFFAOYSA-N -1 3 391.353 3.297 20 0 GGADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1OCC(F)(F)F ZINC000822208113 606568031 /nfs/dbraw/zinc/56/80/31/606568031.db2.gz BEFWINXCKJTXDL-UHFFFAOYSA-N -1 3 391.353 3.297 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)[C@H]1C ZINC000820717121 606572957 /nfs/dbraw/zinc/57/29/57/606572957.db2.gz NYLOGXHFUMTPHQ-OLZOCXBDSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)[C@H]1C ZINC000820717121 606572959 /nfs/dbraw/zinc/57/29/59/606572959.db2.gz NYLOGXHFUMTPHQ-OLZOCXBDSA-N -1 3 379.424 3.316 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C[C@H]1C ZINC000820743012 606572967 /nfs/dbraw/zinc/57/29/67/606572967.db2.gz PEFBUVVVGPAQQN-BETUJISGSA-N -1 3 379.424 3.174 20 0 GGADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C[C@H]1C ZINC000820743012 606572969 /nfs/dbraw/zinc/57/29/69/606572969.db2.gz PEFBUVVVGPAQQN-BETUJISGSA-N -1 3 379.424 3.174 20 0 GGADHM CC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCC1 ZINC000820618663 606573082 /nfs/dbraw/zinc/57/30/82/606573082.db2.gz LFXVMXSNKLNZSE-UHFFFAOYSA-N -1 3 379.424 3.366 20 0 GGADHM CC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCC1 ZINC000820618663 606573084 /nfs/dbraw/zinc/57/30/84/606573084.db2.gz LFXVMXSNKLNZSE-UHFFFAOYSA-N -1 3 379.424 3.366 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000822217991 606575336 /nfs/dbraw/zinc/57/53/36/606575336.db2.gz VHECFVDEYBWVGM-UHFFFAOYSA-N -1 3 391.479 3.308 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000822217991 606575337 /nfs/dbraw/zinc/57/53/37/606575337.db2.gz VHECFVDEYBWVGM-UHFFFAOYSA-N -1 3 391.479 3.308 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820380292 606576134 /nfs/dbraw/zinc/57/61/34/606576134.db2.gz PLDVSUODIJYVBQ-DINDLPBHSA-N -1 3 382.399 3.081 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820380292 606576136 /nfs/dbraw/zinc/57/61/36/606576136.db2.gz PLDVSUODIJYVBQ-DINDLPBHSA-N -1 3 382.399 3.081 20 0 GGADHM CC(C)N(C[C@@H](C)O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820475191 606577020 /nfs/dbraw/zinc/57/70/20/606577020.db2.gz ZCJPZXZCLITRPO-CQSZACIVSA-N -1 3 396.451 3.282 20 0 GGADHM CC(C)N(C[C@@H](C)O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820475191 606577022 /nfs/dbraw/zinc/57/70/22/606577022.db2.gz ZCJPZXZCLITRPO-CQSZACIVSA-N -1 3 396.451 3.282 20 0 GGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823176372 606580224 /nfs/dbraw/zinc/58/02/24/606580224.db2.gz SGJNRLHECJDADJ-VHSXEESVSA-N -1 3 386.353 3.496 20 0 GGADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823176372 606580225 /nfs/dbraw/zinc/58/02/25/606580225.db2.gz SGJNRLHECJDADJ-VHSXEESVSA-N -1 3 386.353 3.496 20 0 GGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821883530 606581362 /nfs/dbraw/zinc/58/13/62/606581362.db2.gz XECFINUSOOPOGG-SFHVURJKSA-N -1 3 379.464 3.321 20 0 GGADHM COc1ccccc1[C@H](CC(C)C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821883530 606581363 /nfs/dbraw/zinc/58/13/63/606581363.db2.gz XECFINUSOOPOGG-SFHVURJKSA-N -1 3 379.464 3.321 20 0 GGADHM CCN(C(=O)c1ccc(NC(C)C)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160762 606584871 /nfs/dbraw/zinc/58/48/71/606584871.db2.gz PQZZBEMWINGJNY-CQSZACIVSA-N -1 3 379.468 3.305 20 0 GGADHM CCN(C(=O)c1ccc(NC(C)C)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160762 606584872 /nfs/dbraw/zinc/58/48/72/606584872.db2.gz PQZZBEMWINGJNY-CQSZACIVSA-N -1 3 379.468 3.305 20 0 GGADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823258058 606587492 /nfs/dbraw/zinc/58/74/92/606587492.db2.gz ZUIGVMIZDVSQEH-UHFFFAOYSA-N -1 3 380.427 3.095 20 0 GGADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823258058 606587494 /nfs/dbraw/zinc/58/74/94/606587494.db2.gz ZUIGVMIZDVSQEH-UHFFFAOYSA-N -1 3 380.427 3.095 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000821612540 606589192 /nfs/dbraw/zinc/58/91/92/606589192.db2.gz YYRGJBCLSCYWPV-WFASDCNBSA-N -1 3 396.417 3.377 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000821612540 606589194 /nfs/dbraw/zinc/58/91/94/606589194.db2.gz YYRGJBCLSCYWPV-WFASDCNBSA-N -1 3 396.417 3.377 20 0 GGADHM O=c1ccc2ccc(OCc3ccc(-c4nnn[n-]4)cc3OC(F)F)cc2o1 ZINC000823665624 606590498 /nfs/dbraw/zinc/59/04/98/606590498.db2.gz STJVCJBJYZSNFB-UHFFFAOYSA-N -1 3 386.314 3.154 20 0 GGADHM O=c1ccc2ccc(OCc3ccc(-c4nn[n-]n4)cc3OC(F)F)cc2o1 ZINC000823665624 606590500 /nfs/dbraw/zinc/59/05/00/606590500.db2.gz STJVCJBJYZSNFB-UHFFFAOYSA-N -1 3 386.314 3.154 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(CC(F)(F)F)C1CCC1 ZINC000823061203 606591435 /nfs/dbraw/zinc/59/14/35/606591435.db2.gz ZVDJLCSVUKXQRQ-UHFFFAOYSA-N -1 3 385.415 3.043 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(CC(F)(F)F)C1CCC1 ZINC000823061203 606591436 /nfs/dbraw/zinc/59/14/36/606591436.db2.gz ZVDJLCSVUKXQRQ-UHFFFAOYSA-N -1 3 385.415 3.043 20 0 GGADHM FC(F)(F)CCN(CC1CC1)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822714318 606592635 /nfs/dbraw/zinc/59/26/35/606592635.db2.gz KXUPEGCKARZXDL-UHFFFAOYSA-N -1 3 391.401 3.352 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823154486 606593871 /nfs/dbraw/zinc/59/38/71/606593871.db2.gz CQLDXDHGIJBBGI-MOPGFXCFSA-N -1 3 394.523 3.168 20 0 GGADHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823154486 606593873 /nfs/dbraw/zinc/59/38/73/606593873.db2.gz CQLDXDHGIJBBGI-MOPGFXCFSA-N -1 3 394.523 3.168 20 0 GGADHM CC(=O)Nc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000819819060 606594380 /nfs/dbraw/zinc/59/43/80/606594380.db2.gz ZFYIEQZNNPAFKO-UHFFFAOYSA-N -1 3 375.335 3.006 20 0 GGADHM CC(=O)Nc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000819819060 606594382 /nfs/dbraw/zinc/59/43/82/606594382.db2.gz ZFYIEQZNNPAFKO-UHFFFAOYSA-N -1 3 375.335 3.006 20 0 GGADHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(Cl)c1 ZINC000822845765 606596153 /nfs/dbraw/zinc/59/61/53/606596153.db2.gz HAYGTZVKWKWKMX-UHFFFAOYSA-N -1 3 394.769 3.168 20 0 GGADHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(Cl)c1 ZINC000822845765 606596155 /nfs/dbraw/zinc/59/61/55/606596155.db2.gz HAYGTZVKWKWKMX-UHFFFAOYSA-N -1 3 394.769 3.168 20 0 GGADHM Cc1ccccc1CC(N)=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822356156 606597220 /nfs/dbraw/zinc/59/72/20/606597220.db2.gz KYXPPHMQBBRCBD-UHFFFAOYSA-N -1 3 388.378 3.018 20 0 GGADHM Cc1ccccc1CC(N)=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822356156 606597222 /nfs/dbraw/zinc/59/72/22/606597222.db2.gz KYXPPHMQBBRCBD-UHFFFAOYSA-N -1 3 388.378 3.018 20 0 GGADHM O=Cc1cc(F)c(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000823558000 606597610 /nfs/dbraw/zinc/59/76/10/606597610.db2.gz YNAHSIDUFHLMJO-UHFFFAOYSA-N -1 3 382.273 3.138 20 0 GGADHM O=Cc1cc(F)c(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000823558000 606597611 /nfs/dbraw/zinc/59/76/11/606597611.db2.gz YNAHSIDUFHLMJO-UHFFFAOYSA-N -1 3 382.273 3.138 20 0 GGADHM CC(C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)no1 ZINC000820203632 606597657 /nfs/dbraw/zinc/59/76/57/606597657.db2.gz WYGHBTZVQPIHKC-UHFFFAOYSA-N -1 3 382.396 3.408 20 0 GGADHM CC(C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)no1 ZINC000820203632 606597658 /nfs/dbraw/zinc/59/76/58/606597658.db2.gz WYGHBTZVQPIHKC-UHFFFAOYSA-N -1 3 382.396 3.408 20 0 GGADHM CCC(CC)NC(=O)[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820898358 606598242 /nfs/dbraw/zinc/59/82/42/606598242.db2.gz ZVWUQXMJPGXMRX-JTQLQIEISA-N -1 3 399.467 3.395 20 0 GGADHM CCC(CC)NC(=O)[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820898358 606598243 /nfs/dbraw/zinc/59/82/43/606598243.db2.gz ZVWUQXMJPGXMRX-JTQLQIEISA-N -1 3 399.467 3.395 20 0 GGADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000175392039 606601730 /nfs/dbraw/zinc/60/17/30/606601730.db2.gz XATOHLZXBKAVFX-ZRDIBKRKSA-N -1 3 385.374 3.188 20 0 GGADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000175392039 606601731 /nfs/dbraw/zinc/60/17/31/606601731.db2.gz XATOHLZXBKAVFX-ZRDIBKRKSA-N -1 3 385.374 3.188 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823472223 606607124 /nfs/dbraw/zinc/60/71/24/606607124.db2.gz DQUNSTFGYRNPGC-HXUWFJFHSA-N -1 3 379.489 3.439 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823472223 606607126 /nfs/dbraw/zinc/60/71/26/606607126.db2.gz DQUNSTFGYRNPGC-HXUWFJFHSA-N -1 3 379.489 3.439 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC000820909600 606607902 /nfs/dbraw/zinc/60/79/02/606607902.db2.gz YHKSAOBNKZUKAJ-SUMWQHHRSA-N -1 3 398.442 3.224 20 0 GGADHM CC[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC000820909600 606607904 /nfs/dbraw/zinc/60/79/04/606607904.db2.gz YHKSAOBNKZUKAJ-SUMWQHHRSA-N -1 3 398.442 3.224 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@H](c2ccco2)C1 ZINC000822204727 606633505 /nfs/dbraw/zinc/63/35/05/606633505.db2.gz YUODAFCMQCUQNC-INIZCTEOSA-N -1 3 380.383 3.033 20 0 GGADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@H](c2ccco2)C1 ZINC000822204727 606633506 /nfs/dbraw/zinc/63/35/06/606633506.db2.gz YUODAFCMQCUQNC-INIZCTEOSA-N -1 3 380.383 3.033 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc2ccccc2o1 ZINC000821161215 606634693 /nfs/dbraw/zinc/63/46/93/606634693.db2.gz WWEGAQIZSKRFSR-ZDUSSCGKSA-N -1 3 397.460 3.385 20 0 GGADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc2ccccc2o1 ZINC000821161215 606634694 /nfs/dbraw/zinc/63/46/94/606634694.db2.gz WWEGAQIZSKRFSR-ZDUSSCGKSA-N -1 3 397.460 3.385 20 0 GGADHM COC(C)(C)c1noc(-c2cccc(COc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000821673538 606637847 /nfs/dbraw/zinc/63/78/47/606637847.db2.gz FDEZDLXOORXKMC-UHFFFAOYSA-N -1 3 392.419 3.377 20 0 GGADHM COC(C)(C)c1noc(-c2cccc(COc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000821673538 606637848 /nfs/dbraw/zinc/63/78/48/606637848.db2.gz FDEZDLXOORXKMC-UHFFFAOYSA-N -1 3 392.419 3.377 20 0 GGADHM Cc1cccc(Cl)c1NC(=O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822304509 606639747 /nfs/dbraw/zinc/63/97/47/606639747.db2.gz ZTIGPPIZOCCOJV-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1cccc(Cl)c1NC(=O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822304509 606639748 /nfs/dbraw/zinc/63/97/48/606639748.db2.gz ZTIGPPIZOCCOJV-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000823467574 606641620 /nfs/dbraw/zinc/64/16/20/606641620.db2.gz XTEIXRBDZNPVFH-UHFFFAOYSA-N -1 3 393.394 3.262 20 0 GGADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000823467574 606641621 /nfs/dbraw/zinc/64/16/21/606641621.db2.gz XTEIXRBDZNPVFH-UHFFFAOYSA-N -1 3 393.394 3.262 20 0 GGADHM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Oc1ccncc1 ZINC000822227624 606651239 /nfs/dbraw/zinc/65/12/39/606651239.db2.gz PSMRBSMKZREXHB-UHFFFAOYSA-N -1 3 388.387 3.114 20 0 GGADHM Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822693857 606653635 /nfs/dbraw/zinc/65/36/35/606653635.db2.gz MCLLASJOFGREOZ-HNNXBMFYSA-N -1 3 394.460 3.193 20 0 GGADHM Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822693857 606653636 /nfs/dbraw/zinc/65/36/36/606653636.db2.gz MCLLASJOFGREOZ-HNNXBMFYSA-N -1 3 394.460 3.193 20 0 GGADHM C[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCOCC1 ZINC000820511854 606654289 /nfs/dbraw/zinc/65/42/89/606654289.db2.gz DIBYGBXGIRODGE-CYBMUJFWSA-N -1 3 398.419 3.011 20 0 GGADHM Cc1sc(NC(=O)CN([C@H](C)c2ccco2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557995 606657808 /nfs/dbraw/zinc/65/78/08/606657808.db2.gz LKGPWBHWPPGNKJ-LLVKDONJSA-N -1 3 386.481 3.302 20 0 GGADHM Cc1sc(NC(=O)CN([C@H](C)c2ccco2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000822557995 606657809 /nfs/dbraw/zinc/65/78/09/606657809.db2.gz LKGPWBHWPPGNKJ-LLVKDONJSA-N -1 3 386.481 3.302 20 0 GGADHM CC(C)[C@@H](C)N(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820017482 606657969 /nfs/dbraw/zinc/65/79/69/606657969.db2.gz YAABQCRDMRVVEK-CQSZACIVSA-N -1 3 388.541 3.318 20 0 GGADHM CC(C)[C@@H](C)N(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820017482 606657970 /nfs/dbraw/zinc/65/79/70/606657970.db2.gz YAABQCRDMRVVEK-CQSZACIVSA-N -1 3 388.541 3.318 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1(O)CCCCC1 ZINC000823357700 606659978 /nfs/dbraw/zinc/65/99/78/606659978.db2.gz ZFJOXZUZUVPLBF-UHFFFAOYSA-N -1 3 379.420 3.293 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1(O)CCCCC1 ZINC000823357700 606659979 /nfs/dbraw/zinc/65/99/79/606659979.db2.gz ZFJOXZUZUVPLBF-UHFFFAOYSA-N -1 3 379.420 3.293 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000821699280 606663120 /nfs/dbraw/zinc/66/31/20/606663120.db2.gz JRNSZQWJRSSVFI-UHFFFAOYSA-N -1 3 382.273 3.252 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000821699280 606663121 /nfs/dbraw/zinc/66/31/21/606663121.db2.gz JRNSZQWJRSSVFI-UHFFFAOYSA-N -1 3 382.273 3.252 20 0 GGADHM O=C(NCCSc1ccc(Cl)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823219487 606663163 /nfs/dbraw/zinc/66/31/63/606663163.db2.gz JYOQDMIXUSPYAI-UHFFFAOYSA-N -1 3 395.822 3.320 20 0 GGADHM O=C(NCCSc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823219487 606663164 /nfs/dbraw/zinc/66/31/64/606663164.db2.gz JYOQDMIXUSPYAI-UHFFFAOYSA-N -1 3 395.822 3.320 20 0 GGADHM Cc1ccc(C2=CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000822232140 606663856 /nfs/dbraw/zinc/66/38/56/606663856.db2.gz VCEOLTFKSFUCDY-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM Cc1ccc(C2=CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000822232140 606663857 /nfs/dbraw/zinc/66/38/57/606663857.db2.gz VCEOLTFKSFUCDY-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1c(F)cc(Br)cc1F ZINC000823366987 606664245 /nfs/dbraw/zinc/66/42/45/606664245.db2.gz BUMOMABBTCHAFJ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1c(F)cc(Br)cc1F ZINC000823366987 606664246 /nfs/dbraw/zinc/66/42/46/606664246.db2.gz BUMOMABBTCHAFJ-UHFFFAOYSA-N -1 3 380.152 3.160 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@](C)(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342042 606666007 /nfs/dbraw/zinc/66/60/07/606666007.db2.gz SFTPNAZRLKCHBH-YCRPNKLZSA-N -1 3 376.464 3.301 20 0 GGADHM C[C@H](NC(=O)N1CC[C@@](C)(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342042 606666008 /nfs/dbraw/zinc/66/60/08/606666008.db2.gz SFTPNAZRLKCHBH-YCRPNKLZSA-N -1 3 376.464 3.301 20 0 GGADHM C[C@@H](NC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820404202 606666777 /nfs/dbraw/zinc/66/67/77/606666777.db2.gz RDBYQVACNDJYIV-CYBMUJFWSA-N -1 3 390.472 3.405 20 0 GGADHM C[C@@H](NC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820404202 606666778 /nfs/dbraw/zinc/66/67/78/606666778.db2.gz RDBYQVACNDJYIV-CYBMUJFWSA-N -1 3 390.472 3.405 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821221668 606667771 /nfs/dbraw/zinc/66/77/71/606667771.db2.gz LLNHQYBQXWRUDM-UHFFFAOYSA-N -1 3 377.782 3.461 20 0 GGADHM CCN(Cc1cccc(Cl)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821221668 606667772 /nfs/dbraw/zinc/66/77/72/606667772.db2.gz LLNHQYBQXWRUDM-UHFFFAOYSA-N -1 3 377.782 3.461 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000821613311 606668144 /nfs/dbraw/zinc/66/81/44/606668144.db2.gz HUXUUYGWFZPMCL-UHFFFAOYSA-N -1 3 390.472 3.186 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000821613311 606668145 /nfs/dbraw/zinc/66/81/45/606668145.db2.gz HUXUUYGWFZPMCL-UHFFFAOYSA-N -1 3 390.472 3.186 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821231230 606670390 /nfs/dbraw/zinc/67/03/90/606670390.db2.gz ZMYJMFXQMAYHII-UHFFFAOYSA-N -1 3 377.782 3.461 20 0 GGADHM CCN(Cc1ccccc1Cl)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821231230 606670391 /nfs/dbraw/zinc/67/03/91/606670391.db2.gz ZMYJMFXQMAYHII-UHFFFAOYSA-N -1 3 377.782 3.461 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821849515 606670636 /nfs/dbraw/zinc/67/06/36/606670636.db2.gz KXRHINQMLXKJDD-KRWDZBQOSA-N -1 3 399.401 3.303 20 0 GGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821849515 606670637 /nfs/dbraw/zinc/67/06/37/606670637.db2.gz KXRHINQMLXKJDD-KRWDZBQOSA-N -1 3 399.401 3.303 20 0 GGADHM CCC1(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)COC1 ZINC000820945421 606671022 /nfs/dbraw/zinc/67/10/22/606671022.db2.gz SMYJNGKDZAHVBY-UHFFFAOYSA-N -1 3 395.438 3.274 20 0 GGADHM CCC1(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)COC1 ZINC000820945421 606671023 /nfs/dbraw/zinc/67/10/23/606671023.db2.gz SMYJNGKDZAHVBY-UHFFFAOYSA-N -1 3 395.438 3.274 20 0 GGADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821613474 606671291 /nfs/dbraw/zinc/67/12/91/606671291.db2.gz OUYRLVYADQIARV-UHFFFAOYSA-N -1 3 397.307 3.436 20 0 GGADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821613474 606671292 /nfs/dbraw/zinc/67/12/92/606671292.db2.gz OUYRLVYADQIARV-UHFFFAOYSA-N -1 3 397.307 3.436 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(F)cc1C ZINC000821104714 606671742 /nfs/dbraw/zinc/67/17/42/606671742.db2.gz OJEKOGQTLJCPGD-UHFFFAOYSA-N -1 3 396.470 3.479 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(F)cc1C ZINC000821104714 606671743 /nfs/dbraw/zinc/67/17/43/606671743.db2.gz OJEKOGQTLJCPGD-UHFFFAOYSA-N -1 3 396.470 3.479 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821000813 606671820 /nfs/dbraw/zinc/67/18/20/606671820.db2.gz JVYPSCMKWYTSAU-ZDUSSCGKSA-N -1 3 375.404 3.356 20 0 GGADHM CC[C@H]1c2ccsc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821000813 606671821 /nfs/dbraw/zinc/67/18/21/606671821.db2.gz JVYPSCMKWYTSAU-ZDUSSCGKSA-N -1 3 375.404 3.356 20 0 GGADHM COC[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821682022 606672006 /nfs/dbraw/zinc/67/20/06/606672006.db2.gz XZJNKQVPAJRYOO-HNNXBMFYSA-N -1 3 397.454 3.207 20 0 GGADHM COC[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000821682022 606672007 /nfs/dbraw/zinc/67/20/07/606672007.db2.gz XZJNKQVPAJRYOO-HNNXBMFYSA-N -1 3 397.454 3.207 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823350211 606672150 /nfs/dbraw/zinc/67/21/50/606672150.db2.gz DMPNGIPULZCHML-UHFFFAOYSA-N -1 3 385.252 3.138 20 0 GGADHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823350211 606672151 /nfs/dbraw/zinc/67/21/51/606672151.db2.gz DMPNGIPULZCHML-UHFFFAOYSA-N -1 3 385.252 3.138 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819817369 606672484 /nfs/dbraw/zinc/67/24/84/606672484.db2.gz CKOZLIQRLXTUSV-UHFFFAOYSA-N -1 3 392.753 3.009 20 0 GGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819817369 606672485 /nfs/dbraw/zinc/67/24/85/606672485.db2.gz CKOZLIQRLXTUSV-UHFFFAOYSA-N -1 3 392.753 3.009 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccccn1 ZINC000820151651 606672576 /nfs/dbraw/zinc/67/25/76/606672576.db2.gz LIRQWNHVBOGRTK-UHFFFAOYSA-N -1 3 384.465 3.170 20 0 GGADHM O=C(NCCc1ccccc1C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823224182 606673141 /nfs/dbraw/zinc/67/31/41/606673141.db2.gz SIQDTJFQWVYSEN-UHFFFAOYSA-N -1 3 397.307 3.136 20 0 GGADHM O=C(NCCc1ccccc1C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823224182 606673142 /nfs/dbraw/zinc/67/31/42/606673142.db2.gz SIQDTJFQWVYSEN-UHFFFAOYSA-N -1 3 397.307 3.136 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cn(C)c2ccccc12 ZINC000821407982 606673602 /nfs/dbraw/zinc/67/36/02/606673602.db2.gz ZRDWZUSSVIMIPP-UHFFFAOYSA-N -1 3 390.447 3.328 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cn(C)c2ccccc12 ZINC000821407982 606673603 /nfs/dbraw/zinc/67/36/03/606673603.db2.gz ZRDWZUSSVIMIPP-UHFFFAOYSA-N -1 3 390.447 3.328 20 0 GGADHM O=C(C[C@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822940744 606673885 /nfs/dbraw/zinc/67/38/85/606673885.db2.gz CNVOLUULXGVYSS-GFCCVEGCSA-N -1 3 375.498 3.485 20 0 GGADHM O=C(C[C@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822940744 606673886 /nfs/dbraw/zinc/67/38/86/606673886.db2.gz CNVOLUULXGVYSS-GFCCVEGCSA-N -1 3 375.498 3.485 20 0 GGADHM CN(C)c1ccc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2n1 ZINC000821589352 606674545 /nfs/dbraw/zinc/67/45/45/606674545.db2.gz KKUMEMNZZNJUTJ-UHFFFAOYSA-N -1 3 395.373 3.011 20 0 GGADHM CN(C)c1ccc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2n1 ZINC000821589352 606674546 /nfs/dbraw/zinc/67/45/46/606674546.db2.gz KKUMEMNZZNJUTJ-UHFFFAOYSA-N -1 3 395.373 3.011 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@]1(C)CCCO1 ZINC000822211731 606674695 /nfs/dbraw/zinc/67/46/95/606674695.db2.gz MJQQALRTCFQIGE-HXUWFJFHSA-N -1 3 379.420 3.475 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@]1(C)CCCO1 ZINC000822211731 606674696 /nfs/dbraw/zinc/67/46/96/606674696.db2.gz MJQQALRTCFQIGE-HXUWFJFHSA-N -1 3 379.420 3.475 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@]2(C)CCCO2)cc1 ZINC000821702412 606676221 /nfs/dbraw/zinc/67/62/21/606676221.db2.gz SFHLZPFJGWECSF-HXUWFJFHSA-N -1 3 395.419 3.175 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@]2(C)CCCO2)cc1 ZINC000821702412 606676222 /nfs/dbraw/zinc/67/62/22/606676222.db2.gz SFHLZPFJGWECSF-HXUWFJFHSA-N -1 3 395.419 3.175 20 0 GGADHM CCCCC[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000821043008 606676607 /nfs/dbraw/zinc/67/66/07/606676607.db2.gz KJESGSAREHMFKW-GOSISDBHSA-N -1 3 399.543 3.199 20 0 GGADHM CCCCC[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000821043008 606676608 /nfs/dbraw/zinc/67/66/08/606676608.db2.gz KJESGSAREHMFKW-GOSISDBHSA-N -1 3 399.543 3.199 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Cl ZINC000820386347 606680578 /nfs/dbraw/zinc/68/05/78/606680578.db2.gz YEFJFVWEKBNIAF-ZETCQYMHSA-N -1 3 381.745 3.428 20 0 GGADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000820386347 606680579 /nfs/dbraw/zinc/68/05/79/606680579.db2.gz YEFJFVWEKBNIAF-ZETCQYMHSA-N -1 3 381.745 3.428 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H](C)CO1 ZINC000822350622 606682835 /nfs/dbraw/zinc/68/28/35/606682835.db2.gz FDLXHATVHPKPCZ-YVEFUNNKSA-N -1 3 399.401 3.056 20 0 GGADHM Cc1ccccc1[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H](C)CO1 ZINC000822350622 606682836 /nfs/dbraw/zinc/68/28/36/606682836.db2.gz FDLXHATVHPKPCZ-YVEFUNNKSA-N -1 3 399.401 3.056 20 0 GGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820295053 606682932 /nfs/dbraw/zinc/68/29/32/606682932.db2.gz XJYNGFAGHAFLNF-LLVKDONJSA-N -1 3 389.431 3.190 20 0 GGADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820295053 606682933 /nfs/dbraw/zinc/68/29/33/606682933.db2.gz XJYNGFAGHAFLNF-LLVKDONJSA-N -1 3 389.431 3.190 20 0 GGADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccccc1)CC(F)F ZINC000823454787 606683851 /nfs/dbraw/zinc/68/38/51/606683851.db2.gz UNFYMAKZMRDFRN-UHFFFAOYSA-N -1 3 379.317 3.052 20 0 GGADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccccc1)CC(F)F ZINC000823454787 606683852 /nfs/dbraw/zinc/68/38/52/606683852.db2.gz UNFYMAKZMRDFRN-UHFFFAOYSA-N -1 3 379.317 3.052 20 0 GGADHM CCCCO[C@H]1C[C@H](N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000821072556 606685040 /nfs/dbraw/zinc/68/50/40/606685040.db2.gz TURWULZSFCFYAX-GJZGRUSLSA-N -1 3 393.438 3.201 20 0 GGADHM CCCCO[C@H]1C[C@H](N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821072556 606685041 /nfs/dbraw/zinc/68/50/41/606685041.db2.gz TURWULZSFCFYAX-GJZGRUSLSA-N -1 3 393.438 3.201 20 0 GGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823176846 606686936 /nfs/dbraw/zinc/68/69/36/606686936.db2.gz ZYHZHGMBDCRMTF-PSASIEDQSA-N -1 3 389.328 3.243 20 0 GGADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823176846 606686937 /nfs/dbraw/zinc/68/69/37/606686937.db2.gz ZYHZHGMBDCRMTF-PSASIEDQSA-N -1 3 389.328 3.243 20 0 GGADHM C[C@]1(CNC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCCO1 ZINC000820618696 606687994 /nfs/dbraw/zinc/68/79/94/606687994.db2.gz MGAWVLTVMLJMQR-HXUWFJFHSA-N -1 3 395.488 3.317 20 0 GGADHM C[C@]1(CNC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCCO1 ZINC000820618696 606687995 /nfs/dbraw/zinc/68/79/95/606687995.db2.gz MGAWVLTVMLJMQR-HXUWFJFHSA-N -1 3 395.488 3.317 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(N2CCCC2)c1 ZINC000820326865 606691718 /nfs/dbraw/zinc/69/17/18/606691718.db2.gz BINUNQPCABZYDG-MRXNPFEDSA-N -1 3 390.491 3.277 20 0 GGADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000820326865 606691719 /nfs/dbraw/zinc/69/17/19/606691719.db2.gz BINUNQPCABZYDG-MRXNPFEDSA-N -1 3 390.491 3.277 20 0 GGADHM COc1ccc(F)c(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000821827502 606692230 /nfs/dbraw/zinc/69/22/30/606692230.db2.gz DDORNIXUUYSQTF-QGZVFWFLSA-N -1 3 385.399 3.057 20 0 GGADHM COc1ccc(F)c(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000821827502 606692231 /nfs/dbraw/zinc/69/22/31/606692231.db2.gz DDORNIXUUYSQTF-QGZVFWFLSA-N -1 3 385.399 3.057 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823078465 606693899 /nfs/dbraw/zinc/69/38/99/606693899.db2.gz NTMRFXCPMSVARF-OAQYLSRUSA-N -1 3 387.418 3.454 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823078465 606693900 /nfs/dbraw/zinc/69/39/00/606693900.db2.gz NTMRFXCPMSVARF-OAQYLSRUSA-N -1 3 387.418 3.454 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820995600 606694580 /nfs/dbraw/zinc/69/45/80/606694580.db2.gz UQPRPNLXHZQEMB-OAHLLOKOSA-N -1 3 393.520 3.294 20 0 GGADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820995600 606694581 /nfs/dbraw/zinc/69/45/81/606694581.db2.gz UQPRPNLXHZQEMB-OAHLLOKOSA-N -1 3 393.520 3.294 20 0 GGADHM CC[C@H]1CN(C)c2ccccc2CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820995599 606694589 /nfs/dbraw/zinc/69/45/89/606694589.db2.gz UQPRPNLXHZQEMB-HNNXBMFYSA-N -1 3 393.520 3.294 20 0 GGADHM CC[C@H]1CN(C)c2ccccc2CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820995599 606694590 /nfs/dbraw/zinc/69/45/90/606694590.db2.gz UQPRPNLXHZQEMB-HNNXBMFYSA-N -1 3 393.520 3.294 20 0 GGADHM CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820994231 606695728 /nfs/dbraw/zinc/69/57/28/606695728.db2.gz FWKYMIWZSRKGGN-KRWDZBQOSA-N -1 3 377.452 3.129 20 0 GGADHM CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820994231 606695729 /nfs/dbraw/zinc/69/57/29/606695729.db2.gz FWKYMIWZSRKGGN-KRWDZBQOSA-N -1 3 377.452 3.129 20 0 GGADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820989270 606696606 /nfs/dbraw/zinc/69/66/06/606696606.db2.gz POIKJKLCUMHYKN-CYBMUJFWSA-N -1 3 379.424 3.318 20 0 GGADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820989270 606696607 /nfs/dbraw/zinc/69/66/07/606696607.db2.gz POIKJKLCUMHYKN-CYBMUJFWSA-N -1 3 379.424 3.318 20 0 GGADHM CCOC(=O)/C=C\CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000821325798 606721404 /nfs/dbraw/zinc/72/14/04/606721404.db2.gz NGXUXPWPLQHNOW-DAXSKMNVSA-N -1 3 395.438 3.127 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000819927928 606723732 /nfs/dbraw/zinc/72/37/32/606723732.db2.gz BHJWPZYWMXOGJS-CQSZACIVSA-N -1 3 394.479 3.363 20 0 GGADHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000819927928 606723733 /nfs/dbraw/zinc/72/37/33/606723733.db2.gz BHJWPZYWMXOGJS-CQSZACIVSA-N -1 3 394.479 3.363 20 0 GGADHM CCOCCOc1cc(C)ccc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821384077 606724703 /nfs/dbraw/zinc/72/47/03/606724703.db2.gz ORBRAHUJRHLOKQ-UHFFFAOYSA-N -1 3 389.406 3.481 20 0 GGADHM CCOCCOc1cc(C)ccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821384077 606724705 /nfs/dbraw/zinc/72/47/05/606724705.db2.gz ORBRAHUJRHLOKQ-UHFFFAOYSA-N -1 3 389.406 3.481 20 0 GGADHM Cc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)c(OC[C@@H]2CCOC2)c1 ZINC000822238662 606726340 /nfs/dbraw/zinc/72/63/40/606726340.db2.gz PXINEIJVLCXEOE-CQSZACIVSA-N -1 3 383.427 3.342 20 0 GGADHM Cc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)c(OC[C@@H]2CCOC2)c1 ZINC000822238662 606726341 /nfs/dbraw/zinc/72/63/41/606726341.db2.gz PXINEIJVLCXEOE-CQSZACIVSA-N -1 3 383.427 3.342 20 0 GGADHM COCCC1(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCC1 ZINC000821686344 606740576 /nfs/dbraw/zinc/74/05/76/606740576.db2.gz LOYKYGVNTFUTBD-UHFFFAOYSA-N -1 3 391.475 3.470 20 0 GGADHM COCCC1(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCC1 ZINC000821686344 606740577 /nfs/dbraw/zinc/74/05/77/606740577.db2.gz LOYKYGVNTFUTBD-UHFFFAOYSA-N -1 3 391.475 3.470 20 0 GGADHM CCCC[C@@H](CCC)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821040875 606743513 /nfs/dbraw/zinc/74/35/13/606743513.db2.gz UCEVXPQWWIZEJN-GFCCVEGCSA-N -1 3 392.891 3.181 20 0 GGADHM CCCC[C@@H](CCC)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821040875 606743515 /nfs/dbraw/zinc/74/35/15/606743515.db2.gz UCEVXPQWWIZEJN-GFCCVEGCSA-N -1 3 392.891 3.181 20 0 GGADHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000822015315 606749392 /nfs/dbraw/zinc/74/93/92/606749392.db2.gz IBXMNHBXMPDCNI-DOTOQJQBSA-N -1 3 397.527 3.213 20 0 GGADHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000822015315 606749394 /nfs/dbraw/zinc/74/93/94/606749394.db2.gz IBXMNHBXMPDCNI-DOTOQJQBSA-N -1 3 397.527 3.213 20 0 GGADHM O=C(NC1(C2CC2)CC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823139273 606749467 /nfs/dbraw/zinc/74/94/67/606749467.db2.gz BJFGJCVLYVESTH-UHFFFAOYSA-N -1 3 375.432 3.118 20 0 GGADHM O=C(NC1(C2CC2)CC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823139273 606749469 /nfs/dbraw/zinc/74/94/69/606749469.db2.gz BJFGJCVLYVESTH-UHFFFAOYSA-N -1 3 375.432 3.118 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cnc(Cc2ccccc2)s1 ZINC000823421504 606754022 /nfs/dbraw/zinc/75/40/22/606754022.db2.gz AUSMDUQVWPSXCO-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cnc(Cc2ccccc2)s1 ZINC000823421504 606754023 /nfs/dbraw/zinc/75/40/23/606754023.db2.gz AUSMDUQVWPSXCO-UHFFFAOYSA-N -1 3 395.419 3.410 20 0 GGADHM Clc1cc(-c2nnn[n-]2)cnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000822563186 606757010 /nfs/dbraw/zinc/75/70/10/606757010.db2.gz GKMSNWDKHHEPQQ-LBPRGKRZSA-N -1 3 376.873 3.162 20 0 GGADHM Clc1cc(-c2nn[n-]n2)cnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000822563186 606757012 /nfs/dbraw/zinc/75/70/12/606757012.db2.gz GKMSNWDKHHEPQQ-LBPRGKRZSA-N -1 3 376.873 3.162 20 0 GGADHM O=C(OCCOc1ccc(Cl)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823410011 606759144 /nfs/dbraw/zinc/75/91/44/606759144.db2.gz PQAGPTZARGQYHO-UHFFFAOYSA-N -1 3 380.738 3.034 20 0 GGADHM O=C(OCCOc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823410011 606759145 /nfs/dbraw/zinc/75/91/45/606759145.db2.gz PQAGPTZARGQYHO-UHFFFAOYSA-N -1 3 380.738 3.034 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000822505311 606760279 /nfs/dbraw/zinc/76/02/79/606760279.db2.gz IBWFELOJSNBNGU-NSHDSACASA-N -1 3 376.376 3.143 20 0 GGADHM Cc1nnc(-c2cccc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000822505311 606760281 /nfs/dbraw/zinc/76/02/81/606760281.db2.gz IBWFELOJSNBNGU-NSHDSACASA-N -1 3 376.376 3.143 20 0 GGADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000823409107 606762351 /nfs/dbraw/zinc/76/23/51/606762351.db2.gz DNURZQGTDGGHAV-UHFFFAOYSA-N -1 3 396.300 3.260 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000822505822 606770002 /nfs/dbraw/zinc/77/00/02/606770002.db2.gz XMOZHWHYLPPNIY-LLVKDONJSA-N -1 3 378.440 3.328 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000822505822 606770003 /nfs/dbraw/zinc/77/00/03/606770003.db2.gz XMOZHWHYLPPNIY-LLVKDONJSA-N -1 3 378.440 3.328 20 0 GGADHM CC1(C)C[C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000820590577 606771280 /nfs/dbraw/zinc/77/12/80/606771280.db2.gz WVHQKTKOCJPNHN-OAHLLOKOSA-N -1 3 382.399 3.430 20 0 GGADHM CC1(C)C[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000820590577 606771283 /nfs/dbraw/zinc/77/12/83/606771283.db2.gz WVHQKTKOCJPNHN-OAHLLOKOSA-N -1 3 382.399 3.430 20 0 GGADHM O=C(CN1CCC(=Cc2ccccc2F)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822992178 606772334 /nfs/dbraw/zinc/77/23/34/606772334.db2.gz KBKYMHLWXMWIPE-UHFFFAOYSA-N -1 3 392.438 3.124 20 0 GGADHM O=C(CN1CCC(=Cc2ccccc2F)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822992178 606772335 /nfs/dbraw/zinc/77/23/35/606772335.db2.gz KBKYMHLWXMWIPE-UHFFFAOYSA-N -1 3 392.438 3.124 20 0 GGADHM CN(c1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000821619201 606776383 /nfs/dbraw/zinc/77/63/83/606776383.db2.gz MWTOKUZOIVWAOS-UHFFFAOYSA-N -1 3 391.479 3.296 20 0 GGADHM CN(c1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000821619201 606776384 /nfs/dbraw/zinc/77/63/84/606776384.db2.gz MWTOKUZOIVWAOS-UHFFFAOYSA-N -1 3 391.479 3.296 20 0 GGADHM CCc1c(C(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)[nH]c(C)c1C(C)=O ZINC000821461922 606780122 /nfs/dbraw/zinc/78/01/22/606780122.db2.gz VXBSUQPXATXKFE-UHFFFAOYSA-N -1 3 387.827 3.183 20 0 GGADHM CCc1c(C(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)[nH]c(C)c1C(C)=O ZINC000821461922 606780123 /nfs/dbraw/zinc/78/01/23/606780123.db2.gz VXBSUQPXATXKFE-UHFFFAOYSA-N -1 3 387.827 3.183 20 0 GGADHM Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822248349 606781054 /nfs/dbraw/zinc/78/10/54/606781054.db2.gz BCNCAWWDLHEPGD-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822248349 606781055 /nfs/dbraw/zinc/78/10/55/606781055.db2.gz BCNCAWWDLHEPGD-UHFFFAOYSA-N -1 3 378.219 3.499 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823031491 606781811 /nfs/dbraw/zinc/78/18/11/606781811.db2.gz CCZUGZJHNIFJLM-DOMZBBRYSA-N -1 3 375.860 3.080 20 0 GGADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823031491 606781812 /nfs/dbraw/zinc/78/18/12/606781812.db2.gz CCZUGZJHNIFJLM-DOMZBBRYSA-N -1 3 375.860 3.080 20 0 GGADHM CC(C)(C)c1cnc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)o1 ZINC000819965652 606786292 /nfs/dbraw/zinc/78/62/92/606786292.db2.gz LNUDMAFETVNFQF-JTQLQIEISA-N -1 3 390.494 3.111 20 0 GGADHM CC(C)(C)c1cnc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)o1 ZINC000819965652 606786293 /nfs/dbraw/zinc/78/62/93/606786293.db2.gz LNUDMAFETVNFQF-JTQLQIEISA-N -1 3 390.494 3.111 20 0 GGADHM CO[C@H](C)CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821673482 606789264 /nfs/dbraw/zinc/78/92/64/606789264.db2.gz CJPBKKIZOWUXDM-CQSZACIVSA-N -1 3 381.436 3.122 20 0 GGADHM CO[C@H](C)CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821673482 606789267 /nfs/dbraw/zinc/78/92/67/606789267.db2.gz CJPBKKIZOWUXDM-CQSZACIVSA-N -1 3 381.436 3.122 20 0 GGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820875757 606789348 /nfs/dbraw/zinc/78/93/48/606789348.db2.gz FCGKJARSMCALBM-HNNXBMFYSA-N -1 3 394.479 3.352 20 0 GGADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820875757 606789350 /nfs/dbraw/zinc/78/93/50/606789350.db2.gz FCGKJARSMCALBM-HNNXBMFYSA-N -1 3 394.479 3.352 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000823589373 606794068 /nfs/dbraw/zinc/79/40/68/606794068.db2.gz WQQVOFQSXNFWDO-UHFFFAOYSA-N -1 3 376.781 3.034 20 0 GGADHM O=S(=O)(Oc1cc(Cl)ccc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000823589373 606794069 /nfs/dbraw/zinc/79/40/69/606794069.db2.gz WQQVOFQSXNFWDO-UHFFFAOYSA-N -1 3 376.781 3.034 20 0 GGADHM COC[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821684873 606798065 /nfs/dbraw/zinc/79/80/65/606798065.db2.gz NCJYVLZJOCWZJB-QGZVFWFLSA-N -1 3 393.447 3.218 20 0 GGADHM COC[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821684873 606798067 /nfs/dbraw/zinc/79/80/67/606798067.db2.gz NCJYVLZJOCWZJB-QGZVFWFLSA-N -1 3 393.447 3.218 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2CCSC2)cc1 ZINC000821702117 606802487 /nfs/dbraw/zinc/80/24/87/606802487.db2.gz IBCZUJUDZKHRRG-ZDUSSCGKSA-N -1 3 397.460 3.359 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2CCSC2)cc1 ZINC000821702117 606802489 /nfs/dbraw/zinc/80/24/89/606802489.db2.gz IBCZUJUDZKHRRG-ZDUSSCGKSA-N -1 3 397.460 3.359 20 0 GGADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc2c(c1)COC2 ZINC000822955462 606803258 /nfs/dbraw/zinc/80/32/58/606803258.db2.gz VZSFODBPKVFGJW-UHFFFAOYSA-N -1 3 394.431 3.189 20 0 GGADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccc2c(c1)COC2 ZINC000822955462 606803260 /nfs/dbraw/zinc/80/32/60/606803260.db2.gz VZSFODBPKVFGJW-UHFFFAOYSA-N -1 3 394.431 3.189 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCc2c1cccc2Cl ZINC000823061046 606817734 /nfs/dbraw/zinc/81/77/34/606817734.db2.gz SZHJGWLNFAOVJU-UHFFFAOYSA-N -1 3 385.880 3.343 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2Cl ZINC000823061046 606817737 /nfs/dbraw/zinc/81/77/37/606817737.db2.gz SZHJGWLNFAOVJU-UHFFFAOYSA-N -1 3 385.880 3.343 20 0 GGADHM CCN(C(=O)CNc1cc(-c2nnn[n-]2)ccc1C)[C@@H](C)c1ccc(F)cc1 ZINC000821154779 606826821 /nfs/dbraw/zinc/82/68/21/606826821.db2.gz RLBBTCQSCNJCDB-AWEZNQCLSA-N -1 3 382.443 3.336 20 0 GGADHM CCN(C(=O)CNc1cc(-c2nn[n-]n2)ccc1C)[C@@H](C)c1ccc(F)cc1 ZINC000821154779 606826823 /nfs/dbraw/zinc/82/68/23/606826823.db2.gz RLBBTCQSCNJCDB-AWEZNQCLSA-N -1 3 382.443 3.336 20 0 GGADHM COc1ccc2c(c1)N(C(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000821849611 606826982 /nfs/dbraw/zinc/82/69/82/606826982.db2.gz NBXAINDETLVMDS-CQSZACIVSA-N -1 3 393.447 3.012 20 0 GGADHM Cc1nc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)oc1-c1ccc(Cl)cc1 ZINC000822444616 606827603 /nfs/dbraw/zinc/82/76/03/606827603.db2.gz VODFDFFNCKJWLL-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)oc1-c1ccc(Cl)cc1 ZINC000822444616 606827604 /nfs/dbraw/zinc/82/76/04/606827604.db2.gz VODFDFFNCKJWLL-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM COCc1ccccc1CNC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821695812 606828263 /nfs/dbraw/zinc/82/82/63/606828263.db2.gz JKCAFWSCRGUHDC-AWEZNQCLSA-N -1 3 397.504 3.124 20 0 GGADHM COCc1ccccc1CNC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821695812 606828264 /nfs/dbraw/zinc/82/82/64/606828264.db2.gz JKCAFWSCRGUHDC-AWEZNQCLSA-N -1 3 397.504 3.124 20 0 GGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820697732 606828622 /nfs/dbraw/zinc/82/86/22/606828622.db2.gz LCZRNLPZKXAXJX-PBHICJAKSA-N -1 3 389.525 3.016 20 0 GGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820697732 606828623 /nfs/dbraw/zinc/82/86/23/606828623.db2.gz LCZRNLPZKXAXJX-PBHICJAKSA-N -1 3 389.525 3.016 20 0 GGADHM CCCNC(=O)Nc1cccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821114428 606837518 /nfs/dbraw/zinc/83/75/18/606837518.db2.gz RPPPEWQGKHPBQO-UHFFFAOYSA-N -1 3 396.451 3.246 20 0 GGADHM CCCNC(=O)Nc1cccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821114428 606837520 /nfs/dbraw/zinc/83/75/20/606837520.db2.gz RPPPEWQGKHPBQO-UHFFFAOYSA-N -1 3 396.451 3.246 20 0 GGADHM O=C(CSCCCOc1cccc(-c2nnn[n-]2)c1)NC1CCCCCC1 ZINC000823061114 606841825 /nfs/dbraw/zinc/84/18/25/606841825.db2.gz WLOSAFPGAJZQTH-UHFFFAOYSA-N -1 3 389.525 3.208 20 0 GGADHM O=C(CSCCCOc1cccc(-c2nn[n-]n2)c1)NC1CCCCCC1 ZINC000823061114 606841826 /nfs/dbraw/zinc/84/18/26/606841826.db2.gz WLOSAFPGAJZQTH-UHFFFAOYSA-N -1 3 389.525 3.208 20 0 GGADHM CC1CCC(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820689842 606842424 /nfs/dbraw/zinc/84/24/24/606842424.db2.gz CVMCLMGRJCJLKO-UHFFFAOYSA-N -1 3 389.525 3.064 20 0 GGADHM CC1CCC(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820689842 606842425 /nfs/dbraw/zinc/84/24/25/606842425.db2.gz CVMCLMGRJCJLKO-UHFFFAOYSA-N -1 3 389.525 3.064 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCCCC1 ZINC000820549202 606842480 /nfs/dbraw/zinc/84/24/80/606842480.db2.gz LAURNWHKZOWDSY-CQSZACIVSA-N -1 3 389.525 3.206 20 0 GGADHM C[C@@H](SCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCCCC1 ZINC000820549202 606842481 /nfs/dbraw/zinc/84/24/81/606842481.db2.gz LAURNWHKZOWDSY-CQSZACIVSA-N -1 3 389.525 3.206 20 0 GGADHM CCC(C)(C)NC(=O)[C@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820847403 606842707 /nfs/dbraw/zinc/84/27/07/606842707.db2.gz DLSNJHJVVIJBRN-ZDUSSCGKSA-N -1 3 377.514 3.062 20 0 GGADHM CCC(C)(C)NC(=O)[C@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820847403 606842708 /nfs/dbraw/zinc/84/27/08/606842708.db2.gz DLSNJHJVVIJBRN-ZDUSSCGKSA-N -1 3 377.514 3.062 20 0 GGADHM CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820549836 606850965 /nfs/dbraw/zinc/85/09/65/606850965.db2.gz SDUNEJJWKXBMFI-SNVBAGLBSA-N -1 3 391.888 3.417 20 0 GGADHM CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820549836 606850966 /nfs/dbraw/zinc/85/09/66/606850966.db2.gz SDUNEJJWKXBMFI-SNVBAGLBSA-N -1 3 391.888 3.417 20 0 GGADHM CCN(Cc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1)C(C)=O ZINC000821231201 606863644 /nfs/dbraw/zinc/86/36/44/606863644.db2.gz YNIHOPSPWFATTF-UHFFFAOYSA-N -1 3 394.479 3.116 20 0 GGADHM CCN(Cc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1)C(C)=O ZINC000821231201 606863646 /nfs/dbraw/zinc/86/36/46/606863646.db2.gz YNIHOPSPWFATTF-UHFFFAOYSA-N -1 3 394.479 3.116 20 0 GGADHM Cc1ccc(NC(=O)C2CC2)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822242527 606864413 /nfs/dbraw/zinc/86/44/13/606864413.db2.gz NYZXRGRYJPWORD-UHFFFAOYSA-N -1 3 392.463 3.405 20 0 GGADHM Cc1ccc(NC(=O)C2CC2)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822242527 606864415 /nfs/dbraw/zinc/86/44/15/606864415.db2.gz NYZXRGRYJPWORD-UHFFFAOYSA-N -1 3 392.463 3.405 20 0 GGADHM COC(=O)C(C)(C)c1ccc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821638808 606865249 /nfs/dbraw/zinc/86/52/49/606865249.db2.gz ILWJXZRLNDMYHN-UHFFFAOYSA-N -1 3 395.463 3.198 20 0 GGADHM COC(=O)C(C)(C)c1ccc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821638808 606865251 /nfs/dbraw/zinc/86/52/51/606865251.db2.gz ILWJXZRLNDMYHN-UHFFFAOYSA-N -1 3 395.463 3.198 20 0 GGADHM Cc1ccc(Br)c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822225120 606865625 /nfs/dbraw/zinc/86/56/25/606865625.db2.gz PGOBIQHFTFTEMU-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM Cc1ccc(Br)c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822225120 606865627 /nfs/dbraw/zinc/86/56/27/606865627.db2.gz PGOBIQHFTFTEMU-LLVKDONJSA-N -1 3 386.253 3.429 20 0 GGADHM COC(=O)[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)c1 ZINC000821644657 606866861 /nfs/dbraw/zinc/86/68/61/606866861.db2.gz FTYZRTNMDFOHRK-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM COC(=O)[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(Cl)c1 ZINC000821644657 606866862 /nfs/dbraw/zinc/86/68/62/606866862.db2.gz FTYZRTNMDFOHRK-HNNXBMFYSA-N -1 3 392.246 3.177 20 0 GGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821772799 606867918 /nfs/dbraw/zinc/86/79/18/606867918.db2.gz QCVKQZYECOTMOO-CYBMUJFWSA-N -1 3 395.463 3.039 20 0 GGADHM COc1ccc(C(C)(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821772799 606867920 /nfs/dbraw/zinc/86/79/20/606867920.db2.gz QCVKQZYECOTMOO-CYBMUJFWSA-N -1 3 395.463 3.039 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000821509565 606870495 /nfs/dbraw/zinc/87/04/95/606870495.db2.gz JKLYMHDIQPVEDX-CQSZACIVSA-N -1 3 383.481 3.427 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000821509565 606870496 /nfs/dbraw/zinc/87/04/96/606870496.db2.gz JKLYMHDIQPVEDX-CQSZACIVSA-N -1 3 383.481 3.427 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820683741 606870698 /nfs/dbraw/zinc/87/06/98/606870698.db2.gz GPRHJJXWEGROLF-RYUDHWBXSA-N -1 3 383.481 3.319 20 0 GGADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820683741 606870699 /nfs/dbraw/zinc/87/06/99/606870699.db2.gz GPRHJJXWEGROLF-RYUDHWBXSA-N -1 3 383.481 3.319 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000820542608 606870815 /nfs/dbraw/zinc/87/08/15/606870815.db2.gz OZOVMXBWOYTYCF-MRXNPFEDSA-N -1 3 391.475 3.163 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000820542608 606870816 /nfs/dbraw/zinc/87/08/16/606870816.db2.gz OZOVMXBWOYTYCF-MRXNPFEDSA-N -1 3 391.475 3.163 20 0 GGADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000820151643 606871469 /nfs/dbraw/zinc/87/14/69/606871469.db2.gz LAGYQVTUMGZSPP-UHFFFAOYSA-N -1 3 381.440 3.218 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823309008 606872409 /nfs/dbraw/zinc/87/24/09/606872409.db2.gz PDMVKMSHFDPBCX-MRXNPFEDSA-N -1 3 376.420 3.435 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823309008 606872411 /nfs/dbraw/zinc/87/24/11/606872411.db2.gz PDMVKMSHFDPBCX-MRXNPFEDSA-N -1 3 376.420 3.435 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820384846 606874389 /nfs/dbraw/zinc/87/43/89/606874389.db2.gz LXHZRZACOYLEOP-CYBMUJFWSA-N -1 3 395.467 3.460 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820384846 606874391 /nfs/dbraw/zinc/87/43/91/606874391.db2.gz LXHZRZACOYLEOP-CYBMUJFWSA-N -1 3 395.467 3.460 20 0 GGADHM FC(F)(F)c1cc(N2CCN(c3cccs3)CC2)ccc1-c1nnn[n-]1 ZINC000822723251 606875995 /nfs/dbraw/zinc/87/59/95/606875995.db2.gz BHZHMBLXFDGJJK-UHFFFAOYSA-N -1 3 380.399 3.274 20 0 GGADHM FC(F)(F)c1cc(N2CCN(c3cccs3)CC2)ccc1-c1nn[n-]n1 ZINC000822723251 606875996 /nfs/dbraw/zinc/87/59/96/606875996.db2.gz BHZHMBLXFDGJJK-UHFFFAOYSA-N -1 3 380.399 3.274 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822206165 606877021 /nfs/dbraw/zinc/87/70/21/606877021.db2.gz WSOJTSYCLNVBPD-KUHUBIRLSA-N -1 3 395.438 3.415 20 0 GGADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000822206165 606877023 /nfs/dbraw/zinc/87/70/23/606877023.db2.gz WSOJTSYCLNVBPD-KUHUBIRLSA-N -1 3 395.438 3.415 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccn(C)c1 ZINC000822206223 606877183 /nfs/dbraw/zinc/87/71/83/606877183.db2.gz YSPPOPNGNFDUDO-UHFFFAOYSA-N -1 3 390.422 3.500 20 0 GGADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccn(C)c1 ZINC000822206223 606877184 /nfs/dbraw/zinc/87/71/84/606877184.db2.gz YSPPOPNGNFDUDO-UHFFFAOYSA-N -1 3 390.422 3.500 20 0 GGADHM O[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)c1cc2ccccc2s1 ZINC000823689653 606878145 /nfs/dbraw/zinc/87/81/45/606878145.db2.gz IGXTUCACRYYBIV-HNNXBMFYSA-N -1 3 378.461 3.111 20 0 GGADHM O[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1cc2ccccc2s1 ZINC000823689653 606878146 /nfs/dbraw/zinc/87/81/46/606878146.db2.gz IGXTUCACRYYBIV-HNNXBMFYSA-N -1 3 378.461 3.111 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820684867 606879379 /nfs/dbraw/zinc/87/93/79/606879379.db2.gz SNKRJELSVQBLGT-HUUCEWRRSA-N -1 3 377.448 3.459 20 0 GGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820684867 606879380 /nfs/dbraw/zinc/87/93/80/606879380.db2.gz SNKRJELSVQBLGT-HUUCEWRRSA-N -1 3 377.448 3.459 20 0 GGADHM COc1ccc(-c2cncc(C(=O)OCc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000821731363 606888938 /nfs/dbraw/zinc/88/89/38/606888938.db2.gz BGCHDLCSZIGYNT-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM COc1ccc(-c2cncc(C(=O)OCc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000821731363 606888940 /nfs/dbraw/zinc/88/89/40/606888940.db2.gz BGCHDLCSZIGYNT-UHFFFAOYSA-N -1 3 387.399 3.294 20 0 GGADHM C[C@@]1(COC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCCO1 ZINC000820623185 606898875 /nfs/dbraw/zinc/89/88/75/606898875.db2.gz HPVZAYDDWHKJRV-NRFANRHFSA-N -1 3 394.431 3.172 20 0 GGADHM C[C@@]1(COC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCCO1 ZINC000820623185 606898877 /nfs/dbraw/zinc/89/88/77/606898877.db2.gz HPVZAYDDWHKJRV-NRFANRHFSA-N -1 3 394.431 3.172 20 0 GGADHM O=C(OCCOc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823410004 606901936 /nfs/dbraw/zinc/90/19/36/606901936.db2.gz PNGRKLSVCYWIAM-UHFFFAOYSA-N -1 3 396.300 3.260 20 0 GGADHM O=C(OCCOc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823410004 606901938 /nfs/dbraw/zinc/90/19/38/606901938.db2.gz PNGRKLSVCYWIAM-UHFFFAOYSA-N -1 3 396.300 3.260 20 0 GGADHM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820686045 606905393 /nfs/dbraw/zinc/90/53/93/606905393.db2.gz WNHIKQRAAMHASE-BETUJISGSA-N -1 3 379.424 3.459 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000821407744 606905985 /nfs/dbraw/zinc/90/59/85/606905985.db2.gz VUGKGFWJBKEEGS-ZIAGYGMSSA-N -1 3 390.513 3.403 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000821407744 606905986 /nfs/dbraw/zinc/90/59/86/606905986.db2.gz VUGKGFWJBKEEGS-ZIAGYGMSSA-N -1 3 390.513 3.403 20 0 GGADHM CCc1nnc(Sc2nnc(-c3cccs3)o2)c(-c2nnn[n-]2)c1CC ZINC000821548711 606910705 /nfs/dbraw/zinc/91/07/05/606910705.db2.gz UVGVUFQLLSAUOE-UHFFFAOYSA-N -1 3 386.466 3.044 20 0 GGADHM Cc1cc(Cl)cc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822201894 606914441 /nfs/dbraw/zinc/91/44/41/606914441.db2.gz ALFUBCCCIOQTQM-UHFFFAOYSA-N -1 3 396.882 3.227 20 0 GGADHM Cc1cc(Cl)cc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822201894 606914442 /nfs/dbraw/zinc/91/44/42/606914442.db2.gz ALFUBCCCIOQTQM-UHFFFAOYSA-N -1 3 396.882 3.227 20 0 GGADHM CC(C)(C)C(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000819892191 606920174 /nfs/dbraw/zinc/92/01/74/606920174.db2.gz YMFPGDFDFMMAAA-UHFFFAOYSA-N -1 3 396.417 3.335 20 0 GGADHM CC(C)(C)C(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000819892191 606920176 /nfs/dbraw/zinc/92/01/76/606920176.db2.gz YMFPGDFDFMMAAA-UHFFFAOYSA-N -1 3 396.417 3.335 20 0 GGADHM CCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000821169816 606921267 /nfs/dbraw/zinc/92/12/67/606921267.db2.gz FIHNKSYGQDUCGY-INIZCTEOSA-N -1 3 388.269 3.189 20 0 GGADHM CCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000821169816 606921268 /nfs/dbraw/zinc/92/12/68/606921268.db2.gz FIHNKSYGQDUCGY-INIZCTEOSA-N -1 3 388.269 3.189 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC(c2nc3ccccc3s2)C1 ZINC000822927876 606922138 /nfs/dbraw/zinc/92/21/38/606922138.db2.gz BSRBCNNLZXVVNP-MDZDMXLPSA-N -1 3 388.456 3.116 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC(c2nc3ccccc3s2)C1 ZINC000822927876 606922140 /nfs/dbraw/zinc/92/21/40/606922140.db2.gz BSRBCNNLZXVVNP-MDZDMXLPSA-N -1 3 388.456 3.116 20 0 GGADHM OC[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000823707297 606922244 /nfs/dbraw/zinc/92/22/44/606922244.db2.gz YZOOJWWGRACQBT-CYBMUJFWSA-N -1 3 377.370 3.149 20 0 GGADHM OC[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000823707297 606922246 /nfs/dbraw/zinc/92/22/46/606922246.db2.gz YZOOJWWGRACQBT-CYBMUJFWSA-N -1 3 377.370 3.149 20 0 GGADHM CCc1nnc(NCc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1CC ZINC000821542240 606925739 /nfs/dbraw/zinc/92/57/39/606925739.db2.gz MCGLFWPBJSPHMK-UHFFFAOYSA-N -1 3 377.374 3.412 20 0 GGADHM CCc1nnc(NCc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1CC ZINC000821542240 606925741 /nfs/dbraw/zinc/92/57/41/606925741.db2.gz MCGLFWPBJSPHMK-UHFFFAOYSA-N -1 3 377.374 3.412 20 0 GGADHM CCc1csc([C@H]2CCCN(c3nnc(CC)c(CC)c3-c3nnn[n-]3)C2)n1 ZINC000821499890 606926826 /nfs/dbraw/zinc/92/68/26/606926826.db2.gz UIALEIRBEMSUMY-LBPRGKRZSA-N -1 3 398.540 3.184 20 0 GGADHM CCc1csc([C@H]2CCCN(c3nnc(CC)c(CC)c3-c3nn[n-]n3)C2)n1 ZINC000821499890 606926828 /nfs/dbraw/zinc/92/68/28/606926828.db2.gz UIALEIRBEMSUMY-LBPRGKRZSA-N -1 3 398.540 3.184 20 0 GGADHM Cc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1C(=O)N1CCCC1 ZINC000822324094 606928255 /nfs/dbraw/zinc/92/82/55/606928255.db2.gz VAPQBOQQOLLTKM-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM Cc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1C(=O)N1CCCC1 ZINC000822324094 606928257 /nfs/dbraw/zinc/92/82/57/606928257.db2.gz VAPQBOQQOLLTKM-UHFFFAOYSA-N -1 3 380.427 3.162 20 0 GGADHM CCc1nnc(NCc2cc(-c3ccccc3)on2)c(-c2nnn[n-]2)c1CC ZINC000821541944 606929212 /nfs/dbraw/zinc/92/92/12/606929212.db2.gz FEYFGTRMRUUTQY-UHFFFAOYSA-N -1 3 376.424 3.049 20 0 GGADHM CCc1nnc(NCc2cc(-c3ccccc3)on2)c(-c2nn[n-]n2)c1CC ZINC000821541944 606929214 /nfs/dbraw/zinc/92/92/14/606929214.db2.gz FEYFGTRMRUUTQY-UHFFFAOYSA-N -1 3 376.424 3.049 20 0 GGADHM COc1ccc(Br)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821769393 606929603 /nfs/dbraw/zinc/92/96/03/606929603.db2.gz HGMNGLUBALFXEP-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(Br)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821769393 606929605 /nfs/dbraw/zinc/92/96/05/606929605.db2.gz HGMNGLUBALFXEP-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM OCC[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823713081 606939187 /nfs/dbraw/zinc/93/91/87/606939187.db2.gz CRJAIXFZNSKWDB-CYBMUJFWSA-N -1 3 377.370 3.464 20 0 GGADHM OCC[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823713081 606939188 /nfs/dbraw/zinc/93/91/88/606939188.db2.gz CRJAIXFZNSKWDB-CYBMUJFWSA-N -1 3 377.370 3.464 20 0 GGADHM O=C(CCc1c[nH]c2ccccc12)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822974390 606941982 /nfs/dbraw/zinc/94/19/82/606941982.db2.gz KECYMIYUQJCCGI-UHFFFAOYSA-N -1 3 391.431 3.293 20 0 GGADHM O=C(CCc1c[nH]c2ccccc12)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822974390 606941984 /nfs/dbraw/zinc/94/19/84/606941984.db2.gz KECYMIYUQJCCGI-UHFFFAOYSA-N -1 3 391.431 3.293 20 0 GGADHM CC(C)(C)c1ncc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819965454 606945957 /nfs/dbraw/zinc/94/59/57/606945957.db2.gz HKLMMIWNFGHAEG-UHFFFAOYSA-N -1 3 387.465 3.247 20 0 GGADHM CC(C)(C)c1ncc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819965454 606945958 /nfs/dbraw/zinc/94/59/58/606945958.db2.gz HKLMMIWNFGHAEG-UHFFFAOYSA-N -1 3 387.465 3.247 20 0 GGADHM Cc1nc(C(C)C)sc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822427249 606946956 /nfs/dbraw/zinc/94/69/56/606946956.db2.gz GNQKOEOMBDEAJM-UHFFFAOYSA-N -1 3 387.465 3.381 20 0 GGADHM Cc1nc(C(C)C)sc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822427249 606946959 /nfs/dbraw/zinc/94/69/59/606946959.db2.gz GNQKOEOMBDEAJM-UHFFFAOYSA-N -1 3 387.465 3.381 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)c(F)c1F ZINC000823400382 606947629 /nfs/dbraw/zinc/94/76/29/606947629.db2.gz CAPKONGPBFOQCE-UHFFFAOYSA-N -1 3 396.300 3.049 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)c(F)c1F ZINC000823400382 606947630 /nfs/dbraw/zinc/94/76/30/606947630.db2.gz CAPKONGPBFOQCE-UHFFFAOYSA-N -1 3 396.300 3.049 20 0 GGADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc2ncccc2c1 ZINC000823405817 606947983 /nfs/dbraw/zinc/94/79/83/606947983.db2.gz WCNGDABZFFCHRH-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc2ncccc2c1 ZINC000823405817 606947985 /nfs/dbraw/zinc/94/79/85/606947985.db2.gz WCNGDABZFFCHRH-UHFFFAOYSA-N -1 3 375.388 3.041 20 0 GGADHM CSc1ccsc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821989466 606948484 /nfs/dbraw/zinc/94/84/84/606948484.db2.gz LNMXREOMPJYQMX-UHFFFAOYSA-N -1 3 376.463 3.276 20 0 GGADHM CSc1ccsc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821989466 606948486 /nfs/dbraw/zinc/94/84/86/606948486.db2.gz LNMXREOMPJYQMX-UHFFFAOYSA-N -1 3 376.463 3.276 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820384491 606950033 /nfs/dbraw/zinc/95/00/33/606950033.db2.gz GMQCPAVKYWCGDA-CHWSQXEVSA-N -1 3 390.463 3.135 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820384491 606950034 /nfs/dbraw/zinc/95/00/34/606950034.db2.gz GMQCPAVKYWCGDA-CHWSQXEVSA-N -1 3 390.463 3.135 20 0 GGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820820371 606954256 /nfs/dbraw/zinc/95/42/56/606954256.db2.gz OFJTWFQYHRVGAC-VIFPVBQESA-N -1 3 388.353 3.435 20 0 GGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820820371 606954257 /nfs/dbraw/zinc/95/42/57/606954257.db2.gz OFJTWFQYHRVGAC-VIFPVBQESA-N -1 3 388.353 3.435 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823332739 606954881 /nfs/dbraw/zinc/95/48/81/606954881.db2.gz QLCRRVMZSZYOEU-HNNXBMFYSA-N -1 3 381.415 3.114 20 0 GGADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823332739 606954883 /nfs/dbraw/zinc/95/48/83/606954883.db2.gz QLCRRVMZSZYOEU-HNNXBMFYSA-N -1 3 381.415 3.114 20 0 GGADHM COc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)ccc1F ZINC000821703292 606955282 /nfs/dbraw/zinc/95/52/82/606955282.db2.gz YKKIVZPLOBPMRP-SECBINFHSA-N -1 3 387.440 3.453 20 0 GGADHM COc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)ccc1F ZINC000821703292 606955284 /nfs/dbraw/zinc/95/52/84/606955284.db2.gz YKKIVZPLOBPMRP-SECBINFHSA-N -1 3 387.440 3.453 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949497 606957029 /nfs/dbraw/zinc/95/70/29/606957029.db2.gz BFIXRRPXFMCTOB-HXUWFJFHSA-N -1 3 381.436 3.301 20 0 GGADHM CC[C@]1(C)CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949497 606957031 /nfs/dbraw/zinc/95/70/31/606957031.db2.gz BFIXRRPXFMCTOB-HXUWFJFHSA-N -1 3 381.436 3.301 20 0 GGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821574678 606957210 /nfs/dbraw/zinc/95/72/10/606957210.db2.gz RNYIOLSHDIEHTN-UHFFFAOYSA-N -1 3 381.289 3.181 20 0 GGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821574678 606957211 /nfs/dbraw/zinc/95/72/11/606957211.db2.gz RNYIOLSHDIEHTN-UHFFFAOYSA-N -1 3 381.289 3.181 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820103064 606957413 /nfs/dbraw/zinc/95/74/13/606957413.db2.gz OSJBNFGHMABCMD-OAHLLOKOSA-N -1 3 379.464 3.321 20 0 GGADHM CC(C)COc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820103064 606957415 /nfs/dbraw/zinc/95/74/15/606957415.db2.gz OSJBNFGHMABCMD-OAHLLOKOSA-N -1 3 379.464 3.321 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)c2)n1 ZINC000822403475 606958399 /nfs/dbraw/zinc/95/83/99/606958399.db2.gz OTMZEEWOYIWDOX-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM Cc1coc(-c2cccc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)c2)n1 ZINC000822403475 606958401 /nfs/dbraw/zinc/95/84/01/606958401.db2.gz OTMZEEWOYIWDOX-UHFFFAOYSA-N -1 3 393.382 3.291 20 0 GGADHM CN(C(=O)c1ccc(Cn2cccn2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573642 606959007 /nfs/dbraw/zinc/95/90/07/606959007.db2.gz YMGMDZKTJGLQNG-UHFFFAOYSA-N -1 3 393.838 3.042 20 0 GGADHM CN(C(=O)c1ccc(Cn2cccn2)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573642 606959008 /nfs/dbraw/zinc/95/90/08/606959008.db2.gz YMGMDZKTJGLQNG-UHFFFAOYSA-N -1 3 393.838 3.042 20 0 GGADHM CCOc1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1Cl ZINC000821438349 606960026 /nfs/dbraw/zinc/96/00/26/606960026.db2.gz ZXCDOSXAFBKXOL-UHFFFAOYSA-N -1 3 393.234 3.244 20 0 GGADHM CCOc1ncc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1Cl ZINC000821438349 606960027 /nfs/dbraw/zinc/96/00/27/606960027.db2.gz ZXCDOSXAFBKXOL-UHFFFAOYSA-N -1 3 393.234 3.244 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823498635 606970556 /nfs/dbraw/zinc/97/05/56/606970556.db2.gz XAMLMQCUXDCGPN-WBVHZDCISA-N -1 3 397.504 3.437 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823498635 606970558 /nfs/dbraw/zinc/97/05/58/606970558.db2.gz XAMLMQCUXDCGPN-WBVHZDCISA-N -1 3 397.504 3.437 20 0 GGADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000823487912 606975349 /nfs/dbraw/zinc/97/53/49/606975349.db2.gz ISGNMCKYUNVGAW-OAHLLOKOSA-N -1 3 383.402 3.240 20 0 GGADHM Cc1cc(C)n(Cc2cccc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822198682 606975888 /nfs/dbraw/zinc/97/58/88/606975888.db2.gz GEABRZCYBLAGCI-UHFFFAOYSA-N -1 3 387.447 3.005 20 0 GGADHM Cc1cc(C)n(Cc2cccc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822198682 606975890 /nfs/dbraw/zinc/97/58/90/606975890.db2.gz GEABRZCYBLAGCI-UHFFFAOYSA-N -1 3 387.447 3.005 20 0 GGADHM Cc1ccc2ccccc2c1CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822280599 606981060 /nfs/dbraw/zinc/98/10/60/606981060.db2.gz SWRXWTWZGHQWBJ-UHFFFAOYSA-N -1 3 393.472 3.149 20 0 GGADHM Cc1ccc2ccccc2c1CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822280599 606981062 /nfs/dbraw/zinc/98/10/62/606981062.db2.gz SWRXWTWZGHQWBJ-UHFFFAOYSA-N -1 3 393.472 3.149 20 0 GGADHM CCC(=O)c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(F)c1 ZINC000820841777 606981616 /nfs/dbraw/zinc/98/16/16/606981616.db2.gz DHEYKRNPLUELEK-UHFFFAOYSA-N -1 3 394.366 3.228 20 0 GGADHM CCC(=O)c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000820841777 606981617 /nfs/dbraw/zinc/98/16/17/606981617.db2.gz DHEYKRNPLUELEK-UHFFFAOYSA-N -1 3 394.366 3.228 20 0 GGADHM Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822535123 606989130 /nfs/dbraw/zinc/98/91/30/606989130.db2.gz HGMZMISXJYQARE-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822535123 606989131 /nfs/dbraw/zinc/98/91/31/606989131.db2.gz HGMZMISXJYQARE-UHFFFAOYSA-N -1 3 379.351 3.326 20 0 GGADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822213939 606990474 /nfs/dbraw/zinc/99/04/74/606990474.db2.gz ICDXHAOITMPTAZ-ZDUSSCGKSA-N -1 3 390.403 3.452 20 0 GGADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822213939 606990476 /nfs/dbraw/zinc/99/04/76/606990476.db2.gz ICDXHAOITMPTAZ-ZDUSSCGKSA-N -1 3 390.403 3.452 20 0 GGADHM Fc1ccc(OCc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000822783096 606991402 /nfs/dbraw/zinc/99/14/02/606991402.db2.gz UZGBDHNAZVNOQU-UHFFFAOYSA-N -1 3 384.396 3.260 20 0 GGADHM Fc1ccc(OCc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000822783096 606991403 /nfs/dbraw/zinc/99/14/03/606991403.db2.gz UZGBDHNAZVNOQU-UHFFFAOYSA-N -1 3 384.396 3.260 20 0 GGADHM C[C@@H](NC(=O)CCCOc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321419 606991559 /nfs/dbraw/zinc/99/15/59/606991559.db2.gz FYMFSVUXMNGCIV-OAHLLOKOSA-N -1 3 391.475 3.392 20 0 GGADHM C[C@@H](NC(=O)CCCOc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321419 606991561 /nfs/dbraw/zinc/99/15/61/606991561.db2.gz FYMFSVUXMNGCIV-OAHLLOKOSA-N -1 3 391.475 3.392 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc2ccccc2c1 ZINC000819996767 606991845 /nfs/dbraw/zinc/99/18/45/606991845.db2.gz IHWWSZZPNPOXMD-UHFFFAOYSA-N -1 3 387.443 3.494 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc2ccccc2c1 ZINC000819996767 606991846 /nfs/dbraw/zinc/99/18/46/606991846.db2.gz IHWWSZZPNPOXMD-UHFFFAOYSA-N -1 3 387.443 3.494 20 0 GGADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822020376 606992210 /nfs/dbraw/zinc/99/22/10/606992210.db2.gz BEFRRDIKNPPMRM-UHFFFAOYSA-N -1 3 397.410 3.154 20 0 GGADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822020376 606992212 /nfs/dbraw/zinc/99/22/12/606992212.db2.gz BEFRRDIKNPPMRM-UHFFFAOYSA-N -1 3 397.410 3.154 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822202047 606995510 /nfs/dbraw/zinc/99/55/10/606995510.db2.gz ITYOKWPNDUWYBB-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM Cc1cc(Cl)ccc1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822202047 606995511 /nfs/dbraw/zinc/99/55/11/606995511.db2.gz ITYOKWPNDUWYBB-UHFFFAOYSA-N -1 3 396.882 3.181 20 0 GGADHM O=C(CCCOCCc1ccccc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822958699 606995601 /nfs/dbraw/zinc/99/56/01/606995601.db2.gz BYXVYUUEKHYGCW-UHFFFAOYSA-N -1 3 384.411 3.089 20 0 GGADHM O=C(CCCOCCc1ccccc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822958699 606995603 /nfs/dbraw/zinc/99/56/03/606995603.db2.gz BYXVYUUEKHYGCW-UHFFFAOYSA-N -1 3 384.411 3.089 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821890223 607000468 /nfs/dbraw/zinc/00/04/68/607000468.db2.gz JZJNJHQCEGKZMO-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM COc1ccccc1CC(C)(C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821890223 607000469 /nfs/dbraw/zinc/00/04/69/607000469.db2.gz JZJNJHQCEGKZMO-UHFFFAOYSA-N -1 3 384.411 3.327 20 0 GGADHM C[C@H](CC(=O)c1ccccc1F)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820225384 607001418 /nfs/dbraw/zinc/00/14/18/607001418.db2.gz HVXXUVINQIBQBL-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM C[C@H](CC(=O)c1ccccc1F)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820225384 607001420 /nfs/dbraw/zinc/00/14/20/607001420.db2.gz HVXXUVINQIBQBL-LLVKDONJSA-N -1 3 386.358 3.097 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000823309316 607010540 /nfs/dbraw/zinc/01/05/40/607010540.db2.gz WWIWNSSIMBEYNW-AWEZNQCLSA-N -1 3 376.342 3.162 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000823309316 607010541 /nfs/dbraw/zinc/01/05/41/607010541.db2.gz WWIWNSSIMBEYNW-AWEZNQCLSA-N -1 3 376.342 3.162 20 0 GGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ncc(Cl)cc1Cl ZINC000823070958 607014561 /nfs/dbraw/zinc/01/45/61/607014561.db2.gz VAXWHQFAHCLUPD-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ncc(Cl)cc1Cl ZINC000823070958 607014563 /nfs/dbraw/zinc/01/45/63/607014563.db2.gz VAXWHQFAHCLUPD-UHFFFAOYSA-N -1 3 381.248 3.299 20 0 GGADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)NCCCSc1ccccc1 ZINC000823070797 607014670 /nfs/dbraw/zinc/01/46/70/607014670.db2.gz OHJUDGSTTWRLFY-UHFFFAOYSA-N -1 3 385.518 3.257 20 0 GGADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)NCCCSc1ccccc1 ZINC000823070797 607014671 /nfs/dbraw/zinc/01/46/71/607014671.db2.gz OHJUDGSTTWRLFY-UHFFFAOYSA-N -1 3 385.518 3.257 20 0 GGADHM COc1ccc(C)cc1CS[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821782353 607016859 /nfs/dbraw/zinc/01/68/59/607016859.db2.gz DBDONVHNOFAHMF-CYBMUJFWSA-N -1 3 383.477 3.444 20 0 GGADHM COc1ccc(C)cc1CS[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821782353 607016861 /nfs/dbraw/zinc/01/68/61/607016861.db2.gz DBDONVHNOFAHMF-CYBMUJFWSA-N -1 3 383.477 3.444 20 0 GGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000819951294 607019546 /nfs/dbraw/zinc/01/95/46/607019546.db2.gz RDVQRKZUVHXBMF-UHFFFAOYSA-N -1 3 384.415 3.149 20 0 GGADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000819951294 607019547 /nfs/dbraw/zinc/01/95/47/607019547.db2.gz RDVQRKZUVHXBMF-UHFFFAOYSA-N -1 3 384.415 3.149 20 0 GGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820820113 607019887 /nfs/dbraw/zinc/01/98/87/607019887.db2.gz MRIIUWGYRIGOJI-QMMMGPOBSA-N -1 3 391.328 3.183 20 0 GGADHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820820113 607019889 /nfs/dbraw/zinc/01/98/89/607019889.db2.gz MRIIUWGYRIGOJI-QMMMGPOBSA-N -1 3 391.328 3.183 20 0 GGADHM C[C@H](CN(C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820252844 607019940 /nfs/dbraw/zinc/01/99/40/607019940.db2.gz FFKRTNCHICVSKC-OAHLLOKOSA-N -1 3 379.464 3.286 20 0 GGADHM C[C@H](CN(C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820252844 607019943 /nfs/dbraw/zinc/01/99/43/607019943.db2.gz FFKRTNCHICVSKC-OAHLLOKOSA-N -1 3 379.464 3.286 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000822929673 607026253 /nfs/dbraw/zinc/02/62/53/607026253.db2.gz WOVMCVZOXHPNGY-OFAQMXQXSA-N -1 3 387.365 3.170 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000822929673 607026254 /nfs/dbraw/zinc/02/62/54/607026254.db2.gz WOVMCVZOXHPNGY-OFAQMXQXSA-N -1 3 387.365 3.170 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000822221355 607029522 /nfs/dbraw/zinc/02/95/22/607029522.db2.gz LMAHOVIOKQHUIE-INIZCTEOSA-N -1 3 391.475 3.381 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000822221355 607029525 /nfs/dbraw/zinc/02/95/25/607029525.db2.gz LMAHOVIOKQHUIE-INIZCTEOSA-N -1 3 391.475 3.381 20 0 GGADHM CCOc1cc(Cl)ccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821394961 607033267 /nfs/dbraw/zinc/03/32/67/607033267.db2.gz QUUIMEDVFXQYAR-INIZCTEOSA-N -1 3 398.854 3.136 20 0 GGADHM CCOc1cc(Cl)ccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821394961 607033268 /nfs/dbraw/zinc/03/32/68/607033268.db2.gz QUUIMEDVFXQYAR-INIZCTEOSA-N -1 3 398.854 3.136 20 0 GGADHM O[C@@H](C1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823673411 607034352 /nfs/dbraw/zinc/03/43/52/607034352.db2.gz LWIFQNUMHSEXGT-LBPRGKRZSA-N -1 3 395.307 3.025 20 0 GGADHM O[C@@H](C1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823673411 607034354 /nfs/dbraw/zinc/03/43/54/607034354.db2.gz LWIFQNUMHSEXGT-LBPRGKRZSA-N -1 3 395.307 3.025 20 0 GGADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000819981426 607035879 /nfs/dbraw/zinc/03/58/79/607035879.db2.gz VNEIWOSRUHROHH-UHFFFAOYSA-N -1 3 393.491 3.409 20 0 GGADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000819981426 607035881 /nfs/dbraw/zinc/03/58/81/607035881.db2.gz VNEIWOSRUHROHH-UHFFFAOYSA-N -1 3 393.491 3.409 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000819996534 607039571 /nfs/dbraw/zinc/03/95/71/607039571.db2.gz GZEZNOMSDNBPHX-IBGZPJMESA-N -1 3 391.475 3.162 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000819996534 607039572 /nfs/dbraw/zinc/03/95/72/607039572.db2.gz GZEZNOMSDNBPHX-IBGZPJMESA-N -1 3 391.475 3.162 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1cccc(F)c1 ZINC000821118542 607042711 /nfs/dbraw/zinc/04/27/11/607042711.db2.gz OQRYGEJWWHQLCU-UHFFFAOYSA-N -1 3 384.415 3.235 20 0 GGADHM CCS[C@@H](C)c1noc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000821449313 607043138 /nfs/dbraw/zinc/04/31/38/607043138.db2.gz RZAVARVEXHBKOF-VIFPVBQESA-N -1 3 379.877 3.354 20 0 GGADHM CCS[C@@H](C)c1noc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000821449313 607043139 /nfs/dbraw/zinc/04/31/39/607043139.db2.gz RZAVARVEXHBKOF-VIFPVBQESA-N -1 3 379.877 3.354 20 0 GGADHM C[C@H](O)C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000820474648 607045959 /nfs/dbraw/zinc/04/59/59/607045959.db2.gz UKSVYTLEHZIUIJ-WCQYABFASA-N -1 3 392.385 3.247 20 0 GGADHM C[C@H](O)C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000820474648 607045960 /nfs/dbraw/zinc/04/59/60/607045960.db2.gz UKSVYTLEHZIUIJ-WCQYABFASA-N -1 3 392.385 3.247 20 0 GGADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1n1ccnc1 ZINC000820727771 607047662 /nfs/dbraw/zinc/04/76/62/607047662.db2.gz ORFQUJZCMCZIQA-IAQYHMDHSA-N -1 3 377.374 3.170 20 0 GGADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1n1ccnc1 ZINC000820727771 607047664 /nfs/dbraw/zinc/04/76/64/607047664.db2.gz ORFQUJZCMCZIQA-IAQYHMDHSA-N -1 3 377.374 3.170 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@H]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000821346937 607052956 /nfs/dbraw/zinc/05/29/56/607052956.db2.gz RVNFCVVQRMVEQR-KOLCDFICSA-N -1 3 377.470 3.178 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C[C@H]2CC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000821346937 607052959 /nfs/dbraw/zinc/05/29/59/607052959.db2.gz RVNFCVVQRMVEQR-KOLCDFICSA-N -1 3 377.470 3.178 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821449013 607054678 /nfs/dbraw/zinc/05/46/78/607054678.db2.gz PHTZPAAKBOQULL-ZBFHGGJFSA-N -1 3 389.525 3.205 20 0 GGADHM CCS[C@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821449013 607054679 /nfs/dbraw/zinc/05/46/79/607054679.db2.gz PHTZPAAKBOQULL-ZBFHGGJFSA-N -1 3 389.525 3.205 20 0 GGADHM CC1(C)C[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000820586620 607054755 /nfs/dbraw/zinc/05/47/55/607054755.db2.gz XWAGENAOUNUYCX-JEJOPICUSA-N -1 3 393.422 3.438 20 0 GGADHM CC1(C)C[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820586620 607054756 /nfs/dbraw/zinc/05/47/56/607054756.db2.gz XWAGENAOUNUYCX-JEJOPICUSA-N -1 3 393.422 3.438 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](CCO)C(C)C)cc1 ZINC000822136636 607062542 /nfs/dbraw/zinc/06/25/42/607062542.db2.gz NFDVEQQZKDFTHA-GOSISDBHSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](CCO)C(C)C)cc1 ZINC000822136636 607062544 /nfs/dbraw/zinc/06/25/44/607062544.db2.gz NFDVEQQZKDFTHA-GOSISDBHSA-N -1 3 395.463 3.104 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820958717 607065057 /nfs/dbraw/zinc/06/50/57/607065057.db2.gz XRLLSKVFNNGWJQ-XOKHGSTOSA-N -1 3 386.500 3.163 20 0 GGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820958717 607065059 /nfs/dbraw/zinc/06/50/59/607065059.db2.gz XRLLSKVFNNGWJQ-XOKHGSTOSA-N -1 3 386.500 3.163 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000821407800 607065765 /nfs/dbraw/zinc/06/57/65/607065765.db2.gz XOSUVOUQZDAXIM-ZDUSSCGKSA-N -1 3 396.451 3.066 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000821407800 607065766 /nfs/dbraw/zinc/06/57/66/607065766.db2.gz XOSUVOUQZDAXIM-ZDUSSCGKSA-N -1 3 396.451 3.066 20 0 GGADHM CCOc1ccc(C(=O)CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821416989 607071451 /nfs/dbraw/zinc/07/14/51/607071451.db2.gz GKTJFCZJNPBFEN-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM CCOc1ccc(C(=O)CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821416989 607071453 /nfs/dbraw/zinc/07/14/53/607071453.db2.gz GKTJFCZJNPBFEN-UHFFFAOYSA-N -1 3 398.394 3.111 20 0 GGADHM O=C(COc1ccc(Cl)cc1Cl)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823040491 607074067 /nfs/dbraw/zinc/07/40/67/607074067.db2.gz LTRAXQIPBLACDI-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(COc1ccc(Cl)cc1Cl)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823040491 607074069 /nfs/dbraw/zinc/07/40/69/607074069.db2.gz LTRAXQIPBLACDI-UHFFFAOYSA-N -1 3 397.193 3.435 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1csc(-c2ccccc2)n1 ZINC000823418576 607076435 /nfs/dbraw/zinc/07/64/35/607076435.db2.gz SEWHYGZVGGIIOC-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1csc(-c2ccccc2)n1 ZINC000823418576 607076436 /nfs/dbraw/zinc/07/64/36/607076436.db2.gz SEWHYGZVGGIIOC-UHFFFAOYSA-N -1 3 381.392 3.486 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Br)cc1F ZINC000823417829 607076555 /nfs/dbraw/zinc/07/65/55/607076555.db2.gz KAWRSYKFPVMBEA-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Br)cc1F ZINC000823417829 607076553 /nfs/dbraw/zinc/07/65/53/607076553.db2.gz KAWRSYKFPVMBEA-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823144955 607078953 /nfs/dbraw/zinc/07/89/53/607078953.db2.gz NIFXZAJVZPELQU-AWEZNQCLSA-N -1 3 381.461 3.495 20 0 GGADHM O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823144955 607078955 /nfs/dbraw/zinc/07/89/55/607078955.db2.gz NIFXZAJVZPELQU-AWEZNQCLSA-N -1 3 381.461 3.495 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823396843 607082160 /nfs/dbraw/zinc/08/21/60/607082160.db2.gz OEMWVDQLRDKWAQ-MRXNPFEDSA-N -1 3 394.431 3.029 20 0 GGADHM O=C(OC[C@@H]1CCCOC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823396843 607082162 /nfs/dbraw/zinc/08/21/62/607082162.db2.gz OEMWVDQLRDKWAQ-MRXNPFEDSA-N -1 3 394.431 3.029 20 0 GGADHM Cn1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(C2CCCCC2)n1 ZINC000822669691 607082875 /nfs/dbraw/zinc/08/28/75/607082875.db2.gz LSNVAWOLTRGOOP-UHFFFAOYSA-N -1 3 384.415 3.144 20 0 GGADHM Cn1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(C2CCCCC2)n1 ZINC000822669691 607082877 /nfs/dbraw/zinc/08/28/77/607082877.db2.gz LSNVAWOLTRGOOP-UHFFFAOYSA-N -1 3 384.415 3.144 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823074825 607083246 /nfs/dbraw/zinc/08/32/46/607083246.db2.gz YDLYNZRBBCBLBD-UHFFFAOYSA-N -1 3 385.786 3.426 20 0 GGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823074825 607083248 /nfs/dbraw/zinc/08/32/48/607083248.db2.gz YDLYNZRBBCBLBD-UHFFFAOYSA-N -1 3 385.786 3.426 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1SCCc2sccc21 ZINC000823413546 607086067 /nfs/dbraw/zinc/08/60/67/607086067.db2.gz JRGALCHVFOEKCW-AWEZNQCLSA-N -1 3 376.438 3.141 20 0 GGADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1SCCc2sccc21 ZINC000823413546 607086068 /nfs/dbraw/zinc/08/60/68/607086068.db2.gz JRGALCHVFOEKCW-AWEZNQCLSA-N -1 3 376.438 3.141 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000821293640 607099485 /nfs/dbraw/zinc/09/94/85/607099485.db2.gz MRRZDOQDPAQNTP-JSGCOSHPSA-N -1 3 384.390 3.319 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000821292911 607099563 /nfs/dbraw/zinc/09/95/63/607099563.db2.gz GXHMPEPOQFHOCW-CHWSQXEVSA-N -1 3 384.390 3.319 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1coc2cc(OC)ccc12 ZINC000821304294 607101932 /nfs/dbraw/zinc/10/19/32/607101932.db2.gz FMVSSNMMWDFIPD-UHFFFAOYSA-N -1 3 392.419 3.235 20 0 GGADHM Cc1cc(Cl)ncc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822202331 607102131 /nfs/dbraw/zinc/10/21/31/607102131.db2.gz VTWRRKCCMWUNEH-UHFFFAOYSA-N -1 3 386.843 3.411 20 0 GGADHM Cc1cc(Cl)ncc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822202331 607102132 /nfs/dbraw/zinc/10/21/32/607102132.db2.gz VTWRRKCCMWUNEH-UHFFFAOYSA-N -1 3 386.843 3.411 20 0 GGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820741046 607111433 /nfs/dbraw/zinc/11/14/33/607111433.db2.gz BBNPYKCDHPUJLD-NHYWBVRUSA-N -1 3 386.506 3.087 20 0 GGADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820741046 607111435 /nfs/dbraw/zinc/11/14/35/607111435.db2.gz BBNPYKCDHPUJLD-NHYWBVRUSA-N -1 3 386.506 3.087 20 0 GGADHM O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440485 607114302 /nfs/dbraw/zinc/11/43/02/607114302.db2.gz VRJCSLSOJAWDRG-UHFFFAOYSA-N -1 3 395.322 3.445 20 0 GGADHM O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440485 607114305 /nfs/dbraw/zinc/11/43/05/607114305.db2.gz VRJCSLSOJAWDRG-UHFFFAOYSA-N -1 3 395.322 3.445 20 0 GGADHM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209331 607114768 /nfs/dbraw/zinc/11/47/68/607114768.db2.gz DCQUWSLLVXCULT-KGLIPLIRSA-N -1 3 377.452 3.203 20 0 GGADHM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209331 607114769 /nfs/dbraw/zinc/11/47/69/607114769.db2.gz DCQUWSLLVXCULT-KGLIPLIRSA-N -1 3 377.452 3.203 20 0 GGADHM COc1ccc(C(C)(C)C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821773054 607116488 /nfs/dbraw/zinc/11/64/88/607116488.db2.gz YLFUTEJQWIPEBQ-UHFFFAOYSA-N -1 3 396.447 3.165 20 0 GGADHM COc1cccc2c1CC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821877323 607118654 /nfs/dbraw/zinc/11/86/54/607118654.db2.gz HKMOUQXCHMVUOH-LBPRGKRZSA-N -1 3 376.342 3.389 20 0 GGADHM COc1cccc2c1CC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821877323 607118655 /nfs/dbraw/zinc/11/86/55/607118655.db2.gz HKMOUQXCHMVUOH-LBPRGKRZSA-N -1 3 376.342 3.389 20 0 GGADHM c1ccc2c(c1)COC21CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000823801948 607120052 /nfs/dbraw/zinc/12/00/52/607120052.db2.gz DGDCRLYQSAPBIV-UHFFFAOYSA-N -1 3 384.443 3.441 20 0 GGADHM c1ccc2c(c1)COC21CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823801948 607120054 /nfs/dbraw/zinc/12/00/54/607120054.db2.gz DGDCRLYQSAPBIV-UHFFFAOYSA-N -1 3 384.443 3.441 20 0 GGADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccc(OC(F)F)cc1 ZINC000823014856 607125766 /nfs/dbraw/zinc/12/57/66/607125766.db2.gz WQUGKFRTJYTVIE-UHFFFAOYSA-N -1 3 394.769 3.172 20 0 GGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)/C=C\SCc1ccco1 ZINC000820288486 607130225 /nfs/dbraw/zinc/13/02/25/607130225.db2.gz WCBCNMCPLOKCJR-JWJUJFCLSA-N -1 3 386.433 3.217 20 0 GGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)/C=C\SCc1ccco1 ZINC000820288486 607130227 /nfs/dbraw/zinc/13/02/27/607130227.db2.gz WCBCNMCPLOKCJR-JWJUJFCLSA-N -1 3 386.433 3.217 20 0 GGADHM Cc1coc(-c2ccc(C)c(NC(=O)COc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822403518 607131661 /nfs/dbraw/zinc/13/16/61/607131661.db2.gz QNLUGZSFZQHGAY-UHFFFAOYSA-N -1 3 390.403 3.156 20 0 GGADHM Cc1coc(-c2ccc(C)c(NC(=O)COc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822403518 607131663 /nfs/dbraw/zinc/13/16/63/607131663.db2.gz QNLUGZSFZQHGAY-UHFFFAOYSA-N -1 3 390.403 3.156 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(OCCF)c1 ZINC000820031170 607132589 /nfs/dbraw/zinc/13/25/89/607132589.db2.gz BCBJTRMETKZDHW-SFHVURJKSA-N -1 3 399.426 3.257 20 0 GGADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(OCCF)c1 ZINC000820031170 607132590 /nfs/dbraw/zinc/13/25/90/607132590.db2.gz BCBJTRMETKZDHW-SFHVURJKSA-N -1 3 399.426 3.257 20 0 GGADHM Cc1cc(N[C@@H]2CCOC3(CCC3)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209723 607132789 /nfs/dbraw/zinc/13/27/89/607132789.db2.gz UBZZOVCKTWXCOR-CQSZACIVSA-N -1 3 389.463 3.490 20 0 GGADHM Cc1cc(N[C@@H]2CCOC3(CCC3)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209723 607132790 /nfs/dbraw/zinc/13/27/90/607132790.db2.gz UBZZOVCKTWXCOR-CQSZACIVSA-N -1 3 389.463 3.490 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820536043 607134522 /nfs/dbraw/zinc/13/45/22/607134522.db2.gz RPVMEJRVRYHYDA-CQSZACIVSA-N -1 3 383.427 3.210 20 0 GGADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820536043 607134523 /nfs/dbraw/zinc/13/45/23/607134523.db2.gz RPVMEJRVRYHYDA-CQSZACIVSA-N -1 3 383.427 3.210 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822202288 607136437 /nfs/dbraw/zinc/13/64/37/607136437.db2.gz UOQSFPLHARLEDH-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822202288 607136435 /nfs/dbraw/zinc/13/64/35/607136435.db2.gz UOQSFPLHARLEDH-JTQLQIEISA-N -1 3 375.791 3.374 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000822217329 607136863 /nfs/dbraw/zinc/13/68/63/607136863.db2.gz BCXYFKFOJIOYKN-WBMJQRKESA-N -1 3 384.465 3.231 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000822217329 607136865 /nfs/dbraw/zinc/13/68/65/607136865.db2.gz BCXYFKFOJIOYKN-WBMJQRKESA-N -1 3 384.465 3.231 20 0 GGADHM CCCOc1cc(F)ccc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821127351 607138935 /nfs/dbraw/zinc/13/89/35/607138935.db2.gz GGALFNROXOWLDJ-UHFFFAOYSA-N -1 3 384.415 3.459 20 0 GGADHM CCCOc1cc(F)ccc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821127351 607138937 /nfs/dbraw/zinc/13/89/37/607138937.db2.gz GGALFNROXOWLDJ-UHFFFAOYSA-N -1 3 384.415 3.459 20 0 GGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820518582 607149547 /nfs/dbraw/zinc/14/95/47/607149547.db2.gz HDYYBWJSYCHTMA-LLVKDONJSA-N -1 3 375.498 3.483 20 0 GGADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820518582 607149548 /nfs/dbraw/zinc/14/95/48/607149548.db2.gz HDYYBWJSYCHTMA-LLVKDONJSA-N -1 3 375.498 3.483 20 0 GGADHM CCO[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)C(C)C ZINC000821351102 607150262 /nfs/dbraw/zinc/15/02/62/607150262.db2.gz KYPVZUFNVBRISI-WCQYABFASA-N -1 3 377.514 3.443 20 0 GGADHM CCO[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)C(C)C ZINC000821351102 607150263 /nfs/dbraw/zinc/15/02/63/607150263.db2.gz KYPVZUFNVBRISI-WCQYABFASA-N -1 3 377.514 3.443 20 0 GGADHM COCCC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000821686426 607152449 /nfs/dbraw/zinc/15/24/49/607152449.db2.gz PGXWUPGMSORZND-UHFFFAOYSA-N -1 3 398.492 3.059 20 0 GGADHM COCCC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000821686426 607152450 /nfs/dbraw/zinc/15/24/50/607152450.db2.gz PGXWUPGMSORZND-UHFFFAOYSA-N -1 3 398.492 3.059 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2sccc2c1 ZINC000821690694 607154618 /nfs/dbraw/zinc/15/46/18/607154618.db2.gz VZHDXOFEJIOCEC-UHFFFAOYSA-N -1 3 393.472 3.370 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2sccc2c1 ZINC000821690694 607154620 /nfs/dbraw/zinc/15/46/20/607154620.db2.gz VZHDXOFEJIOCEC-UHFFFAOYSA-N -1 3 393.472 3.370 20 0 GGADHM CCN(C(=O)COc1ccc(OC)c(C)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154059 607156095 /nfs/dbraw/zinc/15/60/95/607156095.db2.gz IEIZLVOQMBJZDW-HNNXBMFYSA-N -1 3 395.463 3.172 20 0 GGADHM CCN(C(=O)COc1ccc(OC)c(C)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154059 607156097 /nfs/dbraw/zinc/15/60/97/607156097.db2.gz IEIZLVOQMBJZDW-HNNXBMFYSA-N -1 3 395.463 3.172 20 0 GGADHM CC(C)(C)[C@H](O)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819906666 607159024 /nfs/dbraw/zinc/15/90/24/607159024.db2.gz IIFWWOFRWJCHFJ-QGZVFWFLSA-N -1 3 397.504 3.155 20 0 GGADHM CC(C)(C)[C@H](O)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819906666 607159027 /nfs/dbraw/zinc/15/90/27/607159027.db2.gz IIFWWOFRWJCHFJ-QGZVFWFLSA-N -1 3 397.504 3.155 20 0 GGADHM Fc1cc(-c2noc(CSc3cc(-c4nnn[n-]4)ccn3)n2)cc(F)c1F ZINC000822748201 607161313 /nfs/dbraw/zinc/16/13/13/607161313.db2.gz NANZEOUIADOISG-UHFFFAOYSA-N -1 3 391.338 3.021 20 0 GGADHM Fc1cc(-c2noc(CSc3cc(-c4nn[n-]n4)ccn3)n2)cc(F)c1F ZINC000822748201 607161315 /nfs/dbraw/zinc/16/13/15/607161315.db2.gz NANZEOUIADOISG-UHFFFAOYSA-N -1 3 391.338 3.021 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000819996866 607165550 /nfs/dbraw/zinc/16/55/50/607165550.db2.gz LHHYDKNLJWQTHA-MRXNPFEDSA-N -1 3 399.495 3.022 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000819996866 607165552 /nfs/dbraw/zinc/16/55/52/607165552.db2.gz LHHYDKNLJWQTHA-MRXNPFEDSA-N -1 3 399.495 3.022 20 0 GGADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823050428 607165562 /nfs/dbraw/zinc/16/55/62/607165562.db2.gz ZCWRFOMRMWWLQK-GOSISDBHSA-N -1 3 391.475 3.259 20 0 GGADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823050428 607165564 /nfs/dbraw/zinc/16/55/64/607165564.db2.gz ZCWRFOMRMWWLQK-GOSISDBHSA-N -1 3 391.475 3.259 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823088457 607165585 /nfs/dbraw/zinc/16/55/85/607165585.db2.gz YGOFTLLWNFIMJO-HXUWFJFHSA-N -1 3 375.476 3.423 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823088457 607165588 /nfs/dbraw/zinc/16/55/88/607165588.db2.gz YGOFTLLWNFIMJO-HXUWFJFHSA-N -1 3 375.476 3.423 20 0 GGADHM CN(CCOC(C)(C)C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821603785 607165603 /nfs/dbraw/zinc/16/56/03/607165603.db2.gz OUWVYTYQGLWYQU-UHFFFAOYSA-N -1 3 394.479 3.497 20 0 GGADHM CSC[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000821961309 607166328 /nfs/dbraw/zinc/16/63/28/607166328.db2.gz JEBCCGVVFNGCAN-CYBMUJFWSA-N -1 3 399.476 3.006 20 0 GGADHM CSC[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000821961309 607166329 /nfs/dbraw/zinc/16/63/29/607166329.db2.gz JEBCCGVVFNGCAN-CYBMUJFWSA-N -1 3 399.476 3.006 20 0 GGADHM O=C(N[C@H]1CC2CCC1CC2)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823145029 607167821 /nfs/dbraw/zinc/16/78/21/607167821.db2.gz ONUWVUIBWQFKBZ-JRSKDTKFSA-N -1 3 393.447 3.347 20 0 GGADHM Cc1nc2ccc(NCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)cc2s1 ZINC000822463046 607168068 /nfs/dbraw/zinc/16/80/68/607168068.db2.gz NUUMVHFTBAYMFF-UHFFFAOYSA-N -1 3 390.432 3.447 20 0 GGADHM Cc1nc2ccc(NCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)cc2s1 ZINC000822463046 607168069 /nfs/dbraw/zinc/16/80/69/607168069.db2.gz NUUMVHFTBAYMFF-UHFFFAOYSA-N -1 3 390.432 3.447 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000820456278 607172837 /nfs/dbraw/zinc/17/28/37/607172837.db2.gz RCVAGMKNLPDUBF-WDEREUQCSA-N -1 3 382.390 3.087 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000820456278 607172838 /nfs/dbraw/zinc/17/28/38/607172838.db2.gz RCVAGMKNLPDUBF-WDEREUQCSA-N -1 3 382.390 3.087 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000820455382 607173317 /nfs/dbraw/zinc/17/33/17/607173317.db2.gz HZJDMMDADXSQTD-SNVBAGLBSA-N -1 3 376.342 3.325 20 0 GGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000820455382 607173318 /nfs/dbraw/zinc/17/33/18/607173318.db2.gz HZJDMMDADXSQTD-SNVBAGLBSA-N -1 3 376.342 3.325 20 0 GGADHM OC[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706755 607176994 /nfs/dbraw/zinc/17/69/94/607176994.db2.gz OJMBJKQGDISQDX-LBPRGKRZSA-N -1 3 395.360 3.288 20 0 GGADHM OC[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706755 607176995 /nfs/dbraw/zinc/17/69/95/607176995.db2.gz OJMBJKQGDISQDX-LBPRGKRZSA-N -1 3 395.360 3.288 20 0 GGADHM CCCCC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821049545 607184353 /nfs/dbraw/zinc/18/43/53/607184353.db2.gz LCSAINYARKDMKP-CYBMUJFWSA-N -1 3 390.875 3.030 20 0 GGADHM CCCCC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821049545 607184354 /nfs/dbraw/zinc/18/43/54/607184354.db2.gz LCSAINYARKDMKP-CYBMUJFWSA-N -1 3 390.875 3.030 20 0 GGADHM O=C(Nc1cccc(O)c1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823368435 607185729 /nfs/dbraw/zinc/18/57/29/607185729.db2.gz XUNJUALVCMXRIC-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM O=C(Nc1cccc(O)c1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823368435 607185730 /nfs/dbraw/zinc/18/57/30/607185730.db2.gz XUNJUALVCMXRIC-UHFFFAOYSA-N -1 3 387.399 3.404 20 0 GGADHM C[C@H](CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccccc1 ZINC000820225843 607187510 /nfs/dbraw/zinc/18/75/10/607187510.db2.gz QJZAQFAXUDQNPT-CQSZACIVSA-N -1 3 387.447 3.067 20 0 GGADHM C[C@H](CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccccc1 ZINC000820225843 607187511 /nfs/dbraw/zinc/18/75/11/607187511.db2.gz QJZAQFAXUDQNPT-CQSZACIVSA-N -1 3 387.447 3.067 20 0 GGADHM COc1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc(OC)c1 ZINC000821712615 607189305 /nfs/dbraw/zinc/18/93/05/607189305.db2.gz JQYNIPCQULUMSQ-UHFFFAOYSA-N -1 3 387.827 3.109 20 0 GGADHM COc1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc(OC)c1 ZINC000821712615 607189306 /nfs/dbraw/zinc/18/93/06/607189306.db2.gz JQYNIPCQULUMSQ-UHFFFAOYSA-N -1 3 387.827 3.109 20 0 GGADHM O=C(Cc1ccc(F)cc1Cl)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823082457 607192816 /nfs/dbraw/zinc/19/28/16/607192816.db2.gz JTKUDEQAJLTKSX-UHFFFAOYSA-N -1 3 397.744 3.442 20 0 GGADHM O=C(Cc1ccc(F)cc1Cl)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823082457 607192817 /nfs/dbraw/zinc/19/28/17/607192817.db2.gz JTKUDEQAJLTKSX-UHFFFAOYSA-N -1 3 397.744 3.442 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358618 607193225 /nfs/dbraw/zinc/19/32/25/607193225.db2.gz OGLZYDWISCWPBY-PBHICJAKSA-N -1 3 384.484 3.109 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358618 607193226 /nfs/dbraw/zinc/19/32/26/607193226.db2.gz OGLZYDWISCWPBY-PBHICJAKSA-N -1 3 384.484 3.109 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1CCOC2(CCC2)C1 ZINC000823302904 607195270 /nfs/dbraw/zinc/19/52/70/607195270.db2.gz AEHAIUKHHHZDRH-NSHDSACASA-N -1 3 396.373 3.109 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1CCOC2(CCC2)C1 ZINC000823302904 607195271 /nfs/dbraw/zinc/19/52/71/607195271.db2.gz AEHAIUKHHHZDRH-NSHDSACASA-N -1 3 396.373 3.109 20 0 GGADHM O=C(NCc1ccn(-c2ccccc2)n1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261378 607196205 /nfs/dbraw/zinc/19/62/05/607196205.db2.gz JYKKGXGRYCIZMT-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM O=C(NCc1ccn(-c2ccccc2)n1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261378 607196206 /nfs/dbraw/zinc/19/62/06/607196206.db2.gz JYKKGXGRYCIZMT-UHFFFAOYSA-N -1 3 394.826 3.028 20 0 GGADHM CCc1cnc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000821497120 607197253 /nfs/dbraw/zinc/19/72/53/607197253.db2.gz PHKVVASJYRTZBI-UHFFFAOYSA-N -1 3 377.861 3.203 20 0 GGADHM CCc1cnc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000821497120 607197254 /nfs/dbraw/zinc/19/72/54/607197254.db2.gz PHKVVASJYRTZBI-UHFFFAOYSA-N -1 3 377.861 3.203 20 0 GGADHM C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820286986 607199861 /nfs/dbraw/zinc/19/98/61/607199861.db2.gz HXWYOVNQUBAFCX-GFCCVEGCSA-N -1 3 386.843 3.247 20 0 GGADHM C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820286986 607199862 /nfs/dbraw/zinc/19/98/62/607199862.db2.gz HXWYOVNQUBAFCX-GFCCVEGCSA-N -1 3 386.843 3.247 20 0 GGADHM O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823176398 607200297 /nfs/dbraw/zinc/20/02/97/607200297.db2.gz SWENAPFJSVGFCN-ZDUSSCGKSA-N -1 3 397.870 3.168 20 0 GGADHM O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823176398 607200298 /nfs/dbraw/zinc/20/02/98/607200298.db2.gz SWENAPFJSVGFCN-ZDUSSCGKSA-N -1 3 397.870 3.168 20 0 GGADHM Cc1cccc(N2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000822308405 607200306 /nfs/dbraw/zinc/20/03/06/607200306.db2.gz DYSRALCCLNASEY-UHFFFAOYSA-N -1 3 397.870 3.183 20 0 GGADHM Cc1cccc(N2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000822308405 607200307 /nfs/dbraw/zinc/20/03/07/607200307.db2.gz DYSRALCCLNASEY-UHFFFAOYSA-N -1 3 397.870 3.183 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000821505946 607200779 /nfs/dbraw/zinc/20/07/79/607200779.db2.gz UWJBUFMXZJZGPP-MRVPVSSYSA-N -1 3 377.861 3.422 20 0 GGADHM CCc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821505946 607200780 /nfs/dbraw/zinc/20/07/80/607200780.db2.gz UWJBUFMXZJZGPP-MRVPVSSYSA-N -1 3 377.861 3.422 20 0 GGADHM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821128682 607201024 /nfs/dbraw/zinc/20/10/24/607201024.db2.gz ZGZDXFQQLNKZIL-CYBMUJFWSA-N -1 3 378.864 3.333 20 0 GGADHM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821128682 607201025 /nfs/dbraw/zinc/20/10/25/607201025.db2.gz ZGZDXFQQLNKZIL-CYBMUJFWSA-N -1 3 378.864 3.333 20 0 GGADHM CCOCCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC000821374273 607204275 /nfs/dbraw/zinc/20/42/75/607204275.db2.gz SZXKEVCDQZJYHG-UHFFFAOYSA-N -1 3 378.864 3.239 20 0 GGADHM CCOCCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC000821374273 607204276 /nfs/dbraw/zinc/20/42/76/607204276.db2.gz SZXKEVCDQZJYHG-UHFFFAOYSA-N -1 3 378.864 3.239 20 0 GGADHM CNc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000821637820 607205306 /nfs/dbraw/zinc/20/53/06/607205306.db2.gz VNHGROYUCMVSBY-UHFFFAOYSA-N -1 3 392.444 3.389 20 0 GGADHM CNc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000821637820 607205307 /nfs/dbraw/zinc/20/53/07/607205307.db2.gz VNHGROYUCMVSBY-UHFFFAOYSA-N -1 3 392.444 3.389 20 0 GGADHM CCN(C(=O)c1csc(NC2CC2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160772 607209695 /nfs/dbraw/zinc/20/96/95/607209695.db2.gz PZDMBKOMGPOQJD-LLVKDONJSA-N -1 3 383.481 3.121 20 0 GGADHM CCN(C(=O)c1csc(NC2CC2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160772 607209696 /nfs/dbraw/zinc/20/96/96/607209696.db2.gz PZDMBKOMGPOQJD-LLVKDONJSA-N -1 3 383.481 3.121 20 0 GGADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000823375945 607217369 /nfs/dbraw/zinc/21/73/69/607217369.db2.gz QXYLYFOVKBHFLX-UHFFFAOYSA-N -1 3 383.774 3.097 20 0 GGADHM CC(=O)Nc1cccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)c1 ZINC000819828158 607227004 /nfs/dbraw/zinc/22/70/04/607227004.db2.gz ZXIFGZLURNMSOJ-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM CC(=O)Nc1cccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)c1 ZINC000819828158 607227005 /nfs/dbraw/zinc/22/70/05/607227005.db2.gz ZXIFGZLURNMSOJ-UHFFFAOYSA-N -1 3 376.342 3.456 20 0 GGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822212655 607233624 /nfs/dbraw/zinc/23/36/24/607233624.db2.gz ASMBWQVFWJEOTK-CYBMUJFWSA-N -1 3 386.843 3.260 20 0 GGADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822212655 607233625 /nfs/dbraw/zinc/23/36/25/607233625.db2.gz ASMBWQVFWJEOTK-CYBMUJFWSA-N -1 3 386.843 3.260 20 0 GGADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823498021 607234125 /nfs/dbraw/zinc/23/41/25/607234125.db2.gz DVIHKXAZUBFKJW-UHFFFAOYSA-N -1 3 386.818 3.107 20 0 GGADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823498021 607234126 /nfs/dbraw/zinc/23/41/26/607234126.db2.gz DVIHKXAZUBFKJW-UHFFFAOYSA-N -1 3 386.818 3.107 20 0 GGADHM CC(C)Oc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000820178355 607234859 /nfs/dbraw/zinc/23/48/59/607234859.db2.gz NOYBCFKQVIWRLG-UHFFFAOYSA-N -1 3 384.465 3.242 20 0 GGADHM CC(C)Oc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000820178355 607234860 /nfs/dbraw/zinc/23/48/60/607234860.db2.gz NOYBCFKQVIWRLG-UHFFFAOYSA-N -1 3 384.465 3.242 20 0 GGADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000820001257 607234934 /nfs/dbraw/zinc/23/49/34/607234934.db2.gz HDAXRJYNGMKUPI-UHFFFAOYSA-N -1 3 375.791 3.455 20 0 GGADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000820001257 607234935 /nfs/dbraw/zinc/23/49/35/607234935.db2.gz HDAXRJYNGMKUPI-UHFFFAOYSA-N -1 3 375.791 3.455 20 0 GGADHM COc1c(C)ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821698422 607237392 /nfs/dbraw/zinc/23/73/92/607237392.db2.gz JOVWYLNNRRRFMQ-UHFFFAOYSA-N -1 3 381.436 3.288 20 0 GGADHM COc1c(C)ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821698422 607237393 /nfs/dbraw/zinc/23/73/93/607237393.db2.gz JOVWYLNNRRRFMQ-UHFFFAOYSA-N -1 3 381.436 3.288 20 0 GGADHM Cc1cc(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc(C)c1Cl ZINC000822210758 607239249 /nfs/dbraw/zinc/23/92/49/607239249.db2.gz PTTRYAKLLNDRPF-UHFFFAOYSA-N -1 3 375.791 3.294 20 0 GGADHM Cc1cc(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc(C)c1Cl ZINC000822210758 607239250 /nfs/dbraw/zinc/23/92/50/607239250.db2.gz PTTRYAKLLNDRPF-UHFFFAOYSA-N -1 3 375.791 3.294 20 0 GGADHM CCC[C@@H](C)CC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000821014903 607239750 /nfs/dbraw/zinc/23/97/50/607239750.db2.gz LUHLNMDUEAXSKN-SECBINFHSA-N -1 3 383.246 3.370 20 0 GGADHM CCC[C@@H](C)CC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000821014903 607239751 /nfs/dbraw/zinc/23/97/51/607239751.db2.gz LUHLNMDUEAXSKN-SECBINFHSA-N -1 3 383.246 3.370 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)CC1=CCCCC1 ZINC000821698739 607239951 /nfs/dbraw/zinc/23/99/51/607239951.db2.gz WSCLSMMRYICOCR-UHFFFAOYSA-N -1 3 393.241 3.434 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)CC1=CCCCC1 ZINC000821698739 607239952 /nfs/dbraw/zinc/23/99/52/607239952.db2.gz WSCLSMMRYICOCR-UHFFFAOYSA-N -1 3 393.241 3.434 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)c1cc(C)c(C)o1 ZINC000821698268 607240207 /nfs/dbraw/zinc/24/02/07/607240207.db2.gz BYAPWNCDGHLKDT-UHFFFAOYSA-N -1 3 393.197 3.067 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)c1cc(C)c(C)o1 ZINC000821698268 607240208 /nfs/dbraw/zinc/24/02/08/607240208.db2.gz BYAPWNCDGHLKDT-UHFFFAOYSA-N -1 3 393.197 3.067 20 0 GGADHM CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cc21 ZINC000820586381 607242169 /nfs/dbraw/zinc/24/21/69/607242169.db2.gz VVLKYTDQVXAFMG-UHFFFAOYSA-N -1 3 382.811 3.002 20 0 GGADHM CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cc21 ZINC000820586381 607242170 /nfs/dbraw/zinc/24/21/70/607242170.db2.gz VVLKYTDQVXAFMG-UHFFFAOYSA-N -1 3 382.811 3.002 20 0 GGADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Oc2ccccc2)nc1 ZINC000823451072 607247355 /nfs/dbraw/zinc/24/73/55/607247355.db2.gz UKBOXBLQONVJMF-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Oc2ccccc2)nc1 ZINC000823451072 607247356 /nfs/dbraw/zinc/24/73/56/607247356.db2.gz UKBOXBLQONVJMF-UHFFFAOYSA-N -1 3 377.335 3.412 20 0 GGADHM Cc1ncc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)s1 ZINC000826330209 607774094 /nfs/dbraw/zinc/77/40/94/607774094.db2.gz JWZXQLCBARQCOU-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM Cc1ncc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)s1 ZINC000826330209 607774095 /nfs/dbraw/zinc/77/40/95/607774095.db2.gz JWZXQLCBARQCOU-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM CC[C@H](CSc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825127824 607781353 /nfs/dbraw/zinc/78/13/53/607781353.db2.gz OPWFQOCQZKAIHA-MRXNPFEDSA-N -1 3 382.493 3.237 20 0 GGADHM CC[C@H](CSc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825127824 607781354 /nfs/dbraw/zinc/78/13/54/607781354.db2.gz OPWFQOCQZKAIHA-MRXNPFEDSA-N -1 3 382.493 3.237 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826212052 607786770 /nfs/dbraw/zinc/78/67/70/607786770.db2.gz FDFRGXSJRRDDLN-HNNXBMFYSA-N -1 3 377.448 3.348 20 0 GGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826212052 607786771 /nfs/dbraw/zinc/78/67/71/607786771.db2.gz FDFRGXSJRRDDLN-HNNXBMFYSA-N -1 3 377.448 3.348 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824737268 607787913 /nfs/dbraw/zinc/78/79/13/607787913.db2.gz DNMLDKWSTLXNAY-JTQLQIEISA-N -1 3 375.791 3.090 20 0 GGADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824737268 607787914 /nfs/dbraw/zinc/78/79/14/607787914.db2.gz DNMLDKWSTLXNAY-JTQLQIEISA-N -1 3 375.791 3.090 20 0 GGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812592 607789153 /nfs/dbraw/zinc/78/91/53/607789153.db2.gz NZGGSSSAQNNTFS-CABCVRRESA-N -1 3 398.264 3.396 20 0 GGADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812592 607789154 /nfs/dbraw/zinc/78/91/54/607789154.db2.gz NZGGSSSAQNNTFS-CABCVRRESA-N -1 3 398.264 3.396 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826340833 607790159 /nfs/dbraw/zinc/79/01/59/607790159.db2.gz MLJJAYCCAOUBPX-UHFFFAOYSA-N -1 3 380.433 3.097 20 0 GGADHM Cc1oc(-c2ccsc2)nc1CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826340833 607790160 /nfs/dbraw/zinc/79/01/60/607790160.db2.gz MLJJAYCCAOUBPX-UHFFFAOYSA-N -1 3 380.433 3.097 20 0 GGADHM CCN(C(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371541 607795697 /nfs/dbraw/zinc/79/56/97/607795697.db2.gz HTDNNNHNTIWQKO-UHFFFAOYSA-N -1 3 387.390 3.454 20 0 GGADHM CCN(C(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371541 607795698 /nfs/dbraw/zinc/79/56/98/607795698.db2.gz HTDNNNHNTIWQKO-UHFFFAOYSA-N -1 3 387.390 3.454 20 0 GGADHM CCOC(=O)Nc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825523100 607796000 /nfs/dbraw/zinc/79/60/00/607796000.db2.gz MORPCJYHHIAWAT-UHFFFAOYSA-N -1 3 380.408 3.102 20 0 GGADHM CCOC(=O)Nc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825523100 607796001 /nfs/dbraw/zinc/79/60/01/607796001.db2.gz MORPCJYHHIAWAT-UHFFFAOYSA-N -1 3 380.408 3.102 20 0 GGADHM CCN(C(=O)/C=C(/C)Cc1ccccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366812 607796376 /nfs/dbraw/zinc/79/63/76/607796376.db2.gz FYTFZVQEKGXOOH-PFONDFGASA-N -1 3 377.448 3.417 20 0 GGADHM CCN(C(=O)/C=C(/C)Cc1ccccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366812 607796377 /nfs/dbraw/zinc/79/63/77/607796377.db2.gz FYTFZVQEKGXOOH-PFONDFGASA-N -1 3 377.448 3.417 20 0 GGADHM CCN(C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380778 607797514 /nfs/dbraw/zinc/79/75/14/607797514.db2.gz SYZRIOMRXKBOKU-UHFFFAOYSA-N -1 3 397.870 3.182 20 0 GGADHM CCN(C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380778 607797515 /nfs/dbraw/zinc/79/75/15/607797515.db2.gz SYZRIOMRXKBOKU-UHFFFAOYSA-N -1 3 397.870 3.182 20 0 GGADHM CCN(C(=O)c1cnc2onc(C(C)C)c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391319 607797621 /nfs/dbraw/zinc/79/76/21/607797621.db2.gz XTMCMYZONBDPQQ-UHFFFAOYSA-N -1 3 377.408 3.193 20 0 GGADHM CCN(C(=O)c1cnc2onc(C(C)C)c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391319 607797622 /nfs/dbraw/zinc/79/76/22/607797622.db2.gz XTMCMYZONBDPQQ-UHFFFAOYSA-N -1 3 377.408 3.193 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccccc2C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391463 607798513 /nfs/dbraw/zinc/79/85/13/607798513.db2.gz ZQKBSZHTGDCYDP-UHFFFAOYSA-N -1 3 387.447 3.336 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccccc2C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391463 607798514 /nfs/dbraw/zinc/79/85/14/607798514.db2.gz ZQKBSZHTGDCYDP-UHFFFAOYSA-N -1 3 387.447 3.336 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390286 607798585 /nfs/dbraw/zinc/79/85/85/607798585.db2.gz CGPNBWMQCVPIOP-UHFFFAOYSA-N -1 3 393.838 3.373 20 0 GGADHM CCN(C(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390286 607798586 /nfs/dbraw/zinc/79/85/86/607798586.db2.gz CGPNBWMQCVPIOP-UHFFFAOYSA-N -1 3 393.838 3.373 20 0 GGADHM CCN(C(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379568 607799373 /nfs/dbraw/zinc/79/93/73/607799373.db2.gz IOPVIIWPFRAAIN-UHFFFAOYSA-N -1 3 381.198 3.374 20 0 GGADHM CCN(C(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379568 607799374 /nfs/dbraw/zinc/79/93/74/607799374.db2.gz IOPVIIWPFRAAIN-UHFFFAOYSA-N -1 3 381.198 3.374 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825654047 607800914 /nfs/dbraw/zinc/80/09/14/607800914.db2.gz NDTTVVPGJMRGSM-UHFFFAOYSA-N -1 3 377.326 3.135 20 0 GGADHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825654047 607800915 /nfs/dbraw/zinc/80/09/15/607800915.db2.gz NDTTVVPGJMRGSM-UHFFFAOYSA-N -1 3 377.326 3.135 20 0 GGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826338122 607801091 /nfs/dbraw/zinc/80/10/91/607801091.db2.gz LMUHFATWOFVKRW-UHFFFAOYSA-N -1 3 391.366 3.149 20 0 GGADHM Cc1nnccc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826338122 607801092 /nfs/dbraw/zinc/80/10/92/607801092.db2.gz LMUHFATWOFVKRW-UHFFFAOYSA-N -1 3 391.366 3.149 20 0 GGADHM CC1(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CCCCC1 ZINC000824818008 607802967 /nfs/dbraw/zinc/80/29/67/607802967.db2.gz QRTLJHMIXIGUHN-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM CC1(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CCCCC1 ZINC000824818008 607802968 /nfs/dbraw/zinc/80/29/68/607802968.db2.gz QRTLJHMIXIGUHN-UHFFFAOYSA-N -1 3 398.511 3.127 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@H]1CC[C@H](O)CC1 ZINC000826455668 607803503 /nfs/dbraw/zinc/80/35/03/607803503.db2.gz YUUKUSILLKOAKA-CTYIDZIISA-N -1 3 394.435 3.084 20 0 GGADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@H]1CC[C@H](O)CC1 ZINC000826455668 607803504 /nfs/dbraw/zinc/80/35/04/607803504.db2.gz YUUKUSILLKOAKA-CTYIDZIISA-N -1 3 394.435 3.084 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000826186302 607806517 /nfs/dbraw/zinc/80/65/17/607806517.db2.gz MWYMYJQYSKXDIC-UHFFFAOYSA-N -1 3 382.424 3.090 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000826186302 607806518 /nfs/dbraw/zinc/80/65/18/607806518.db2.gz MWYMYJQYSKXDIC-UHFFFAOYSA-N -1 3 382.424 3.090 20 0 GGADHM CC(C)C1CN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000824223801 607808507 /nfs/dbraw/zinc/80/85/07/607808507.db2.gz MCNFARINCXWZCE-UHFFFAOYSA-N -1 3 377.448 3.174 20 0 GGADHM CC(C)C1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000824223801 607808508 /nfs/dbraw/zinc/80/85/08/607808508.db2.gz MCNFARINCXWZCE-UHFFFAOYSA-N -1 3 377.448 3.174 20 0 GGADHM c1cc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)cc2c1OCC2 ZINC000826514513 607809173 /nfs/dbraw/zinc/80/91/73/607809173.db2.gz ULFKSKYMNDIXCS-UHFFFAOYSA-N -1 3 392.444 3.285 20 0 GGADHM c1cc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc2c1OCC2 ZINC000826514513 607809174 /nfs/dbraw/zinc/80/91/74/607809174.db2.gz ULFKSKYMNDIXCS-UHFFFAOYSA-N -1 3 392.444 3.285 20 0 GGADHM CC(C)(C)O[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824120104 607818388 /nfs/dbraw/zinc/81/83/88/607818388.db2.gz YKJSZZPKGDMYCD-KRWDZBQOSA-N -1 3 383.427 3.178 20 0 GGADHM CC(C)(C)O[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824120104 607818389 /nfs/dbraw/zinc/81/83/89/607818389.db2.gz YKJSZZPKGDMYCD-KRWDZBQOSA-N -1 3 383.427 3.178 20 0 GGADHM Cc1ccc(CC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000826286666 607818478 /nfs/dbraw/zinc/81/84/78/607818478.db2.gz LFWVVXATNOYZTA-UHFFFAOYSA-N -1 3 379.445 3.356 20 0 GGADHM CC(C)(C)O[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000824119169 607818864 /nfs/dbraw/zinc/81/88/64/607818864.db2.gz CDJMAQAHFXAHDF-QGZVFWFLSA-N -1 3 383.427 3.178 20 0 GGADHM CC(C)(C)O[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000824119169 607818865 /nfs/dbraw/zinc/81/88/65/607818865.db2.gz CDJMAQAHFXAHDF-QGZVFWFLSA-N -1 3 383.427 3.178 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826506328 607820938 /nfs/dbraw/zinc/82/09/38/607820938.db2.gz RWTBNUMKSYCOJK-CZUORRHYSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826506089 607821068 /nfs/dbraw/zinc/82/10/68/607821068.db2.gz MHLIUAVRDFHFLV-CZUORRHYSA-N -1 3 393.344 3.337 20 0 GGADHM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826506089 607821069 /nfs/dbraw/zinc/82/10/69/607821069.db2.gz MHLIUAVRDFHFLV-CZUORRHYSA-N -1 3 393.344 3.337 20 0 GGADHM COc1ccc(CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826196338 607822792 /nfs/dbraw/zinc/82/27/92/607822792.db2.gz YNZFJWUKGKBRCY-GOSISDBHSA-N -1 3 395.463 3.048 20 0 GGADHM COc1ccc(CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826196338 607822793 /nfs/dbraw/zinc/82/27/93/607822793.db2.gz YNZFJWUKGKBRCY-GOSISDBHSA-N -1 3 395.463 3.048 20 0 GGADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826475967 607823716 /nfs/dbraw/zinc/82/37/16/607823716.db2.gz XNJYQVQADPLKFX-UHFFFAOYSA-N -1 3 389.868 3.265 20 0 GGADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826475967 607823717 /nfs/dbraw/zinc/82/37/17/607823717.db2.gz XNJYQVQADPLKFX-UHFFFAOYSA-N -1 3 389.868 3.265 20 0 GGADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826455688 607824759 /nfs/dbraw/zinc/82/47/59/607824759.db2.gz ZNPPZOUXIQYKIQ-UHFFFAOYSA-N -1 3 377.433 3.134 20 0 GGADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826455688 607824760 /nfs/dbraw/zinc/82/47/60/607824760.db2.gz ZNPPZOUXIQYKIQ-UHFFFAOYSA-N -1 3 377.433 3.134 20 0 GGADHM CC1(C)C[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824789305 607825279 /nfs/dbraw/zinc/82/52/79/607825279.db2.gz GQNFMWAUJFUGGA-SFHVURJKSA-N -1 3 392.463 3.298 20 0 GGADHM CC(C)(CCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824153054 607827034 /nfs/dbraw/zinc/82/70/34/607827034.db2.gz ZRIZXHGADGDRTK-UHFFFAOYSA-N -1 3 393.447 3.106 20 0 GGADHM CC(C)(CCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824153054 607827035 /nfs/dbraw/zinc/82/70/35/607827035.db2.gz ZRIZXHGADGDRTK-UHFFFAOYSA-N -1 3 393.447 3.106 20 0 GGADHM O=C(NCCCNc1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826436851 607834668 /nfs/dbraw/zinc/83/46/68/607834668.db2.gz LOVWCMLUGRGDJU-UHFFFAOYSA-N -1 3 391.262 3.406 20 0 GGADHM O=C(NCCCNc1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826436851 607834669 /nfs/dbraw/zinc/83/46/69/607834669.db2.gz LOVWCMLUGRGDJU-UHFFFAOYSA-N -1 3 391.262 3.406 20 0 GGADHM O=C(NCCc1c(F)cccc1F)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826439102 607834772 /nfs/dbraw/zinc/83/47/72/607834772.db2.gz FHGKPUARLKBSJP-UHFFFAOYSA-N -1 3 398.200 3.424 20 0 GGADHM O=C(NCCc1c(F)cccc1F)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826439102 607834773 /nfs/dbraw/zinc/83/47/73/607834773.db2.gz FHGKPUARLKBSJP-UHFFFAOYSA-N -1 3 398.200 3.424 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506143 607835403 /nfs/dbraw/zinc/83/54/03/607835403.db2.gz LVIODNBVWPZKFX-GFCCVEGCSA-N -1 3 375.392 3.404 20 0 GGADHM C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506143 607835404 /nfs/dbraw/zinc/83/54/04/607835404.db2.gz LVIODNBVWPZKFX-GFCCVEGCSA-N -1 3 375.392 3.404 20 0 GGADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000825958288 607835917 /nfs/dbraw/zinc/83/59/17/607835917.db2.gz QGGBVGGLOMIMPE-UHFFFAOYSA-N -1 3 375.392 3.186 20 0 GGADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000825958288 607835918 /nfs/dbraw/zinc/83/59/18/607835918.db2.gz QGGBVGGLOMIMPE-UHFFFAOYSA-N -1 3 375.392 3.186 20 0 GGADHM COCC[C@@H](C)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826154607 607837647 /nfs/dbraw/zinc/83/76/47/607837647.db2.gz SYNHBMSXTZIBGP-CQSZACIVSA-N -1 3 382.420 3.028 20 0 GGADHM COCC[C@@H](C)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826154607 607837648 /nfs/dbraw/zinc/83/76/48/607837648.db2.gz SYNHBMSXTZIBGP-CQSZACIVSA-N -1 3 382.420 3.028 20 0 GGADHM Clc1ccc2nc(CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)cn2c1 ZINC000826352952 607839744 /nfs/dbraw/zinc/83/97/44/607839744.db2.gz VDKNSOGKVIVWNX-UHFFFAOYSA-N -1 3 376.811 3.328 20 0 GGADHM Clc1ccc2nc(CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)cn2c1 ZINC000826352952 607839745 /nfs/dbraw/zinc/83/97/45/607839745.db2.gz VDKNSOGKVIVWNX-UHFFFAOYSA-N -1 3 376.811 3.328 20 0 GGADHM O[C@H](COc1ccc(F)cc1)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826504742 607843384 /nfs/dbraw/zinc/84/33/84/607843384.db2.gz CGVKRGGHJKRZBC-GFCCVEGCSA-N -1 3 380.832 3.191 20 0 GGADHM O[C@H](COc1ccc(F)cc1)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826504742 607843385 /nfs/dbraw/zinc/84/33/85/607843385.db2.gz CGVKRGGHJKRZBC-GFCCVEGCSA-N -1 3 380.832 3.191 20 0 GGADHM C[C@H](C1CC1)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000824377472 607844627 /nfs/dbraw/zinc/84/46/27/607844627.db2.gz FTMRRBLKWHUKOQ-SNVBAGLBSA-N -1 3 377.901 3.402 20 0 GGADHM C[C@H](C1CC1)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000824377472 607844628 /nfs/dbraw/zinc/84/46/28/607844628.db2.gz FTMRRBLKWHUKOQ-SNVBAGLBSA-N -1 3 377.901 3.402 20 0 GGADHM Cc1ccc(C=Cc2nn(CN(C)c3ccccc3-c3nnn[n-]3)c(=S)[nH]2)o1 ZINC000826286128 607847677 /nfs/dbraw/zinc/84/76/77/607847677.db2.gz SJHNTBGHDXCOBA-MDZDMXLPSA-N -1 3 394.464 3.287 20 0 GGADHM Cc1ccc(C=Cc2nn(CN(C)c3ccccc3-c3nn[n-]n3)c(=S)[nH]2)o1 ZINC000826286128 607847678 /nfs/dbraw/zinc/84/76/78/607847678.db2.gz SJHNTBGHDXCOBA-MDZDMXLPSA-N -1 3 394.464 3.287 20 0 GGADHM CN(Cn1nc(-c2ccccc2F)n(C)c1=S)c1ccccc1-c1nnn[n-]1 ZINC000825999206 607847747 /nfs/dbraw/zinc/84/77/47/607847747.db2.gz QPLOHMTXWCECTA-UHFFFAOYSA-N -1 3 396.455 3.031 20 0 GGADHM CN(Cn1nc(-c2ccccc2F)n(C)c1=S)c1ccccc1-c1nn[n-]n1 ZINC000825999206 607847748 /nfs/dbraw/zinc/84/77/48/607847748.db2.gz QPLOHMTXWCECTA-UHFFFAOYSA-N -1 3 396.455 3.031 20 0 GGADHM C[C@H]1C(=O)N(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000824860898 607848764 /nfs/dbraw/zinc/84/87/64/607848764.db2.gz ZATRQHGBHXXBTG-SJKOYZFVSA-N -1 3 382.855 3.133 20 0 GGADHM C[C@H]1C(=O)N(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000824860898 607848765 /nfs/dbraw/zinc/84/87/65/607848765.db2.gz ZATRQHGBHXXBTG-SJKOYZFVSA-N -1 3 382.855 3.133 20 0 GGADHM CC(C)Oc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1 ZINC000824334477 607854265 /nfs/dbraw/zinc/85/42/65/607854265.db2.gz VJDVAEKHRGZUHV-UHFFFAOYSA-N -1 3 382.424 3.088 20 0 GGADHM CC(C)Oc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1 ZINC000824334477 607854266 /nfs/dbraw/zinc/85/42/66/607854266.db2.gz VJDVAEKHRGZUHV-UHFFFAOYSA-N -1 3 382.424 3.088 20 0 GGADHM CCOc1ccccc1N(C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000825654296 607858652 /nfs/dbraw/zinc/85/86/52/607858652.db2.gz VXSAREKGXZKFFO-UHFFFAOYSA-N -1 3 386.481 3.019 20 0 GGADHM CCOc1ccccc1N(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000825654296 607858653 /nfs/dbraw/zinc/85/86/53/607858653.db2.gz VXSAREKGXZKFFO-UHFFFAOYSA-N -1 3 386.481 3.019 20 0 GGADHM CC(=O)c1cccc(COC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000824029702 607860280 /nfs/dbraw/zinc/86/02/80/607860280.db2.gz PSUSNSYKPBHNTI-LJQANCHMSA-N -1 3 394.431 3.216 20 0 GGADHM CC(=O)c1cccc(COC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000824029702 607860281 /nfs/dbraw/zinc/86/02/81/607860281.db2.gz PSUSNSYKPBHNTI-LJQANCHMSA-N -1 3 394.431 3.216 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000825609743 607871864 /nfs/dbraw/zinc/87/18/64/607871864.db2.gz SQMNYSNDZVUHOU-AWEZNQCLSA-N -1 3 394.353 3.397 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000825609743 607871865 /nfs/dbraw/zinc/87/18/65/607871865.db2.gz SQMNYSNDZVUHOU-AWEZNQCLSA-N -1 3 394.353 3.397 20 0 GGADHM O[C@@H](COCc1ccccc1Cl)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826504079 607873043 /nfs/dbraw/zinc/87/30/43/607873043.db2.gz MQZXBQRPQNUKCI-ZDUSSCGKSA-N -1 3 395.246 3.130 20 0 GGADHM O[C@@H](COCc1ccccc1Cl)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826504079 607873044 /nfs/dbraw/zinc/87/30/44/607873044.db2.gz MQZXBQRPQNUKCI-ZDUSSCGKSA-N -1 3 395.246 3.130 20 0 GGADHM C[C@H](OC[C@@H](O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(Cl)cc1 ZINC000824730029 607874120 /nfs/dbraw/zinc/87/41/20/607874120.db2.gz MFQZAZGUXIBTJN-SMDDNHRTSA-N -1 3 392.818 3.177 20 0 GGADHM C[C@H](OC[C@@H](O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(Cl)cc1 ZINC000824730029 607874121 /nfs/dbraw/zinc/87/41/21/607874121.db2.gz MFQZAZGUXIBTJN-SMDDNHRTSA-N -1 3 392.818 3.177 20 0 GGADHM O[C@H](COc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826504803 607874588 /nfs/dbraw/zinc/87/45/88/607874588.db2.gz DWAJHSOVTKOKPR-CYBMUJFWSA-N -1 3 397.179 3.020 20 0 GGADHM O[C@H](COc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826504803 607874589 /nfs/dbraw/zinc/87/45/89/607874589.db2.gz DWAJHSOVTKOKPR-CYBMUJFWSA-N -1 3 397.179 3.020 20 0 GGADHM Cc1csc(-c2ccc(OC[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826320024 607875843 /nfs/dbraw/zinc/87/58/43/607875843.db2.gz DGTCZZHSUILIDL-KRWDZBQOSA-N -1 3 379.445 3.411 20 0 GGADHM Cc1csc(-c2ccc(OC[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826320024 607875844 /nfs/dbraw/zinc/87/58/44/607875844.db2.gz DGTCZZHSUILIDL-KRWDZBQOSA-N -1 3 379.445 3.411 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000826255159 607876353 /nfs/dbraw/zinc/87/63/53/607876353.db2.gz NWODJQQKGNOKPF-CQSZACIVSA-N -1 3 378.354 3.176 20 0 GGADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000826503726 607877614 /nfs/dbraw/zinc/87/76/14/607877614.db2.gz DTVWNRDIEQWMOY-CYBMUJFWSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000826503726 607877615 /nfs/dbraw/zinc/87/76/15/607877615.db2.gz DTVWNRDIEQWMOY-CYBMUJFWSA-N -1 3 395.644 3.395 20 0 GGADHM O[C@@H](COCc1ccccc1Cl)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826503913 607878378 /nfs/dbraw/zinc/87/83/78/607878378.db2.gz JKXKPOYUQFMIES-ZDUSSCGKSA-N -1 3 395.246 3.130 20 0 GGADHM O[C@@H](COCc1ccccc1Cl)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826503913 607878379 /nfs/dbraw/zinc/87/83/79/607878379.db2.gz JKXKPOYUQFMIES-ZDUSSCGKSA-N -1 3 395.246 3.130 20 0 GGADHM CCN(C(=O)[C@H]1COc2ccccc2C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367554 607878667 /nfs/dbraw/zinc/87/86/67/607878667.db2.gz SNGKFPIMMYKACR-CYBMUJFWSA-N -1 3 383.839 3.124 20 0 GGADHM CCN(C(=O)[C@H]1COc2ccccc2C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367554 607878668 /nfs/dbraw/zinc/87/86/68/607878668.db2.gz SNGKFPIMMYKACR-CYBMUJFWSA-N -1 3 383.839 3.124 20 0 GGADHM CCN(C(=O)COc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372121 607878851 /nfs/dbraw/zinc/87/88/51/607878851.db2.gz QUGCOOLVUMAOHH-UHFFFAOYSA-N -1 3 393.781 3.230 20 0 GGADHM CCN(C(=O)COc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372121 607878852 /nfs/dbraw/zinc/87/88/52/607878852.db2.gz QUGCOOLVUMAOHH-UHFFFAOYSA-N -1 3 393.781 3.230 20 0 GGADHM CC1(C)CCC[C@H](C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000824801125 607882491 /nfs/dbraw/zinc/88/24/91/607882491.db2.gz BNUPZMRJJMSSKW-INIZCTEOSA-N -1 3 382.512 3.122 20 0 GGADHM CC1(C)CCC[C@H](C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000824801125 607882492 /nfs/dbraw/zinc/88/24/92/607882492.db2.gz BNUPZMRJJMSSKW-INIZCTEOSA-N -1 3 382.512 3.122 20 0 GGADHM C[C@@](O)(CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000824670472 607887499 /nfs/dbraw/zinc/88/74/99/607887499.db2.gz PFZBOXMPXKQDOA-HXUWFJFHSA-N -1 3 379.420 3.149 20 0 GGADHM C[C@@](O)(CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000824670472 607887500 /nfs/dbraw/zinc/88/75/00/607887500.db2.gz PFZBOXMPXKQDOA-HXUWFJFHSA-N -1 3 379.420 3.149 20 0 GGADHM CC1(C)CCC[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824802468 607894037 /nfs/dbraw/zinc/89/40/37/607894037.db2.gz NGNGQDMWXIYHLP-INIZCTEOSA-N -1 3 383.496 3.453 20 0 GGADHM CC1=CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000824852599 607910622 /nfs/dbraw/zinc/91/06/22/607910622.db2.gz OJHFIPYOIHGUDV-UHFFFAOYSA-N -1 3 375.432 3.238 20 0 GGADHM CC1=CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000824852599 607910623 /nfs/dbraw/zinc/91/06/23/607910623.db2.gz OJHFIPYOIHGUDV-UHFFFAOYSA-N -1 3 375.432 3.238 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824333815 607911804 /nfs/dbraw/zinc/91/18/04/607911804.db2.gz NIAYWAYYJZIBHW-UHFFFAOYSA-N -1 3 379.464 3.245 20 0 GGADHM CC(C)Oc1cccc(CN(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824333815 607911805 /nfs/dbraw/zinc/91/18/05/607911805.db2.gz NIAYWAYYJZIBHW-UHFFFAOYSA-N -1 3 379.464 3.245 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823943138 607916219 /nfs/dbraw/zinc/91/62/19/607916219.db2.gz OMHLYFNBLWCEJN-BENRWUELSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823943138 607916220 /nfs/dbraw/zinc/91/62/20/607916220.db2.gz OMHLYFNBLWCEJN-BENRWUELSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823942518 607916274 /nfs/dbraw/zinc/91/62/74/607916274.db2.gz FAJIDLZBZZRICI-FMIVXFBMSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823942518 607916275 /nfs/dbraw/zinc/91/62/75/607916275.db2.gz FAJIDLZBZZRICI-FMIVXFBMSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823943139 607916404 /nfs/dbraw/zinc/91/64/04/607916404.db2.gz OMHLYFNBLWCEJN-ZRDIBKRKSA-N -1 3 382.807 3.350 20 0 GGADHM CC(=Cc1ccccc1Cl)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823943139 607916405 /nfs/dbraw/zinc/91/64/05/607916405.db2.gz OMHLYFNBLWCEJN-ZRDIBKRKSA-N -1 3 382.807 3.350 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000824803724 607916545 /nfs/dbraw/zinc/91/65/45/607916545.db2.gz WLCQQBDOTUYZME-CQSZACIVSA-N -1 3 382.424 3.176 20 0 GGADHM CC1(C)CCC[C@@H](C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000824803724 607916546 /nfs/dbraw/zinc/91/65/46/607916546.db2.gz WLCQQBDOTUYZME-CQSZACIVSA-N -1 3 382.424 3.176 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCC1 ZINC000824506407 607917092 /nfs/dbraw/zinc/91/70/92/607917092.db2.gz ODPOHFNJPDSEGU-GFCCVEGCSA-N -1 3 379.424 3.364 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCC1 ZINC000824506407 607917093 /nfs/dbraw/zinc/91/70/93/607917093.db2.gz ODPOHFNJPDSEGU-GFCCVEGCSA-N -1 3 379.424 3.364 20 0 GGADHM CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCSC1 ZINC000825830260 607918187 /nfs/dbraw/zinc/91/81/87/607918187.db2.gz QPHNJOIRKKOZBU-KRWDZBQOSA-N -1 3 395.488 3.023 20 0 GGADHM COc1ccc(C(F)(F)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000826189615 607920670 /nfs/dbraw/zinc/92/06/70/607920670.db2.gz ZTZIZHJZZYHLEZ-UHFFFAOYSA-N -1 3 391.403 3.156 20 0 GGADHM COc1ccc(C(F)(F)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000826189615 607920671 /nfs/dbraw/zinc/92/06/71/607920671.db2.gz ZTZIZHJZZYHLEZ-UHFFFAOYSA-N -1 3 391.403 3.156 20 0 GGADHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Br)n1 ZINC000826282449 607927455 /nfs/dbraw/zinc/92/74/55/607927455.db2.gz PCBINBQZIBHDRL-SNVBAGLBSA-N -1 3 388.225 3.251 20 0 GGADHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Br)n1 ZINC000826282449 607927456 /nfs/dbraw/zinc/92/74/56/607927456.db2.gz PCBINBQZIBHDRL-SNVBAGLBSA-N -1 3 388.225 3.251 20 0 GGADHM O=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000534563393 607931501 /nfs/dbraw/zinc/93/15/01/607931501.db2.gz NEIFOMNHGJQHSZ-UHFFFAOYSA-N -1 3 398.470 3.190 20 0 GGADHM O=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000534563393 607931502 /nfs/dbraw/zinc/93/15/02/607931502.db2.gz NEIFOMNHGJQHSZ-UHFFFAOYSA-N -1 3 398.470 3.190 20 0 GGADHM Cc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1Br ZINC000826296152 607938271 /nfs/dbraw/zinc/93/82/71/607938271.db2.gz KZAHWMVOHWBUFM-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM Cc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1Br ZINC000826296152 607938272 /nfs/dbraw/zinc/93/82/72/607938272.db2.gz KZAHWMVOHWBUFM-UHFFFAOYSA-N -1 3 390.216 3.007 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1OC ZINC000825290760 607945193 /nfs/dbraw/zinc/94/51/93/607945193.db2.gz HHNMTRHHLGDKHX-UHFFFAOYSA-N -1 3 393.447 3.257 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1OC ZINC000825290760 607945194 /nfs/dbraw/zinc/94/51/94/607945194.db2.gz HHNMTRHHLGDKHX-UHFFFAOYSA-N -1 3 393.447 3.257 20 0 GGADHM O=C(c1ccc(OCC(F)(F)F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473320 607945686 /nfs/dbraw/zinc/94/56/86/607945686.db2.gz SSCKRDBPOCHMDP-UHFFFAOYSA-N -1 3 389.337 3.011 20 0 GGADHM O=C(c1ccc(OCC(F)(F)F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473320 607945687 /nfs/dbraw/zinc/94/56/87/607945687.db2.gz SSCKRDBPOCHMDP-UHFFFAOYSA-N -1 3 389.337 3.011 20 0 GGADHM O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826468326 607945767 /nfs/dbraw/zinc/94/57/67/607945767.db2.gz LLSMXLHRWFVWED-UHFFFAOYSA-N -1 3 382.786 3.343 20 0 GGADHM O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826468326 607945768 /nfs/dbraw/zinc/94/57/68/607945768.db2.gz LLSMXLHRWFVWED-UHFFFAOYSA-N -1 3 382.786 3.343 20 0 GGADHM O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474955 607946062 /nfs/dbraw/zinc/94/60/62/607946062.db2.gz MHRTZNXXOICTFN-UHFFFAOYSA-N -1 3 397.442 3.133 20 0 GGADHM O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474955 607946063 /nfs/dbraw/zinc/94/60/63/607946063.db2.gz MHRTZNXXOICTFN-UHFFFAOYSA-N -1 3 397.442 3.133 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825074958 607946875 /nfs/dbraw/zinc/94/68/75/607946875.db2.gz LRHWUCNUEZCLJI-CQSZACIVSA-N -1 3 377.448 3.348 20 0 GGADHM CC[C@@H](C)c1ccccc1OCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825074958 607946876 /nfs/dbraw/zinc/94/68/76/607946876.db2.gz LRHWUCNUEZCLJI-CQSZACIVSA-N -1 3 377.448 3.348 20 0 GGADHM O=C(c1ccc(-c2ccccc2F)o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826471383 607947459 /nfs/dbraw/zinc/94/74/59/607947459.db2.gz XFHHUTNJBCHYJH-UHFFFAOYSA-N -1 3 375.363 3.469 20 0 GGADHM O=C(c1ccc(-c2ccccc2F)o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826471383 607947460 /nfs/dbraw/zinc/94/74/60/607947460.db2.gz XFHHUTNJBCHYJH-UHFFFAOYSA-N -1 3 375.363 3.469 20 0 GGADHM Cc1cc(OCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1C(C)C ZINC000826271647 607949409 /nfs/dbraw/zinc/94/94/09/607949409.db2.gz AMCHHBCTCJTAJV-UHFFFAOYSA-N -1 3 377.448 3.267 20 0 GGADHM Cc1cc(OCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1C(C)C ZINC000826271647 607949410 /nfs/dbraw/zinc/94/94/10/607949410.db2.gz AMCHHBCTCJTAJV-UHFFFAOYSA-N -1 3 377.448 3.267 20 0 GGADHM O=C(c1ccccc1)c1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474254 607951945 /nfs/dbraw/zinc/95/19/45/607951945.db2.gz IHLDLSRVBSVBSJ-UHFFFAOYSA-N -1 3 395.422 3.301 20 0 GGADHM O=C(c1ccccc1)c1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474254 607951946 /nfs/dbraw/zinc/95/19/46/607951946.db2.gz IHLDLSRVBSVBSJ-UHFFFAOYSA-N -1 3 395.422 3.301 20 0 GGADHM CCOC(=O)CN(Cc1cc(-c2nnn[n-]2)ccc1F)[C@H](C)c1ccccc1 ZINC000825511713 607957476 /nfs/dbraw/zinc/95/74/76/607957476.db2.gz BMVODEHXCZPCQI-CQSZACIVSA-N -1 3 383.427 3.132 20 0 GGADHM CCOC(=O)CN(Cc1cc(-c2nn[n-]n2)ccc1F)[C@H](C)c1ccccc1 ZINC000825511713 607957477 /nfs/dbraw/zinc/95/74/77/607957477.db2.gz BMVODEHXCZPCQI-CQSZACIVSA-N -1 3 383.427 3.132 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)NCC23CCC(CC2)C3)cc1-c1nnn[n-]1 ZINC000825538506 607961622 /nfs/dbraw/zinc/96/16/22/607961622.db2.gz IJBKHMPTFXEMOH-UHFFFAOYSA-N -1 3 399.455 3.137 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)NCC23CCC(CC2)C3)cc1-c1nn[n-]n1 ZINC000825538506 607961623 /nfs/dbraw/zinc/96/16/23/607961623.db2.gz IJBKHMPTFXEMOH-UHFFFAOYSA-N -1 3 399.455 3.137 20 0 GGADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C(F)(F)c1c(F)cccc1F ZINC000825609704 607962342 /nfs/dbraw/zinc/96/23/42/607962342.db2.gz RPTWZYZVMUYNHU-UHFFFAOYSA-N -1 3 396.300 3.241 20 0 GGADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C(F)(F)c1c(F)cccc1F ZINC000825609704 607962343 /nfs/dbraw/zinc/96/23/43/607962343.db2.gz RPTWZYZVMUYNHU-UHFFFAOYSA-N -1 3 396.300 3.241 20 0 GGADHM CCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000825225029 607962526 /nfs/dbraw/zinc/96/25/26/607962526.db2.gz JWBJENZVFWOYTD-UHFFFAOYSA-N -1 3 388.472 3.072 20 0 GGADHM CCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000825225029 607962527 /nfs/dbraw/zinc/96/25/27/607962527.db2.gz JWBJENZVFWOYTD-UHFFFAOYSA-N -1 3 388.472 3.072 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000826257609 607962570 /nfs/dbraw/zinc/96/25/70/607962570.db2.gz IWQCPLBKNDYXQN-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000826257609 607962571 /nfs/dbraw/zinc/96/25/71/607962571.db2.gz IWQCPLBKNDYXQN-UHFFFAOYSA-N -1 3 390.216 3.353 20 0 GGADHM CN(C(=O)C=Cc1ccnc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812817 607963378 /nfs/dbraw/zinc/96/33/78/607963378.db2.gz VGRGAIIOCSVLIS-GORDUTHDSA-N -1 3 375.219 3.245 20 0 GGADHM CN(C(=O)C=Cc1ccnc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812817 607963379 /nfs/dbraw/zinc/96/33/79/607963379.db2.gz VGRGAIIOCSVLIS-GORDUTHDSA-N -1 3 375.219 3.245 20 0 GGADHM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825879737 607963455 /nfs/dbraw/zinc/96/34/55/607963455.db2.gz QBGZVKSQRPHAFJ-UHFFFAOYSA-N -1 3 387.447 3.108 20 0 GGADHM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825879737 607963456 /nfs/dbraw/zinc/96/34/56/607963456.db2.gz QBGZVKSQRPHAFJ-UHFFFAOYSA-N -1 3 387.447 3.108 20 0 GGADHM CCN(C(=O)Cc1ccc(Cl)nc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376387 607963957 /nfs/dbraw/zinc/96/39/57/607963957.db2.gz GEBVRMAHRAENKS-ZDUSSCGKSA-N -1 3 384.871 3.376 20 0 GGADHM CCN(C(=O)Cc1ccc(Cl)nc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376387 607963958 /nfs/dbraw/zinc/96/39/58/607963958.db2.gz GEBVRMAHRAENKS-ZDUSSCGKSA-N -1 3 384.871 3.376 20 0 GGADHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000824670508 607967925 /nfs/dbraw/zinc/96/79/25/607967925.db2.gz QFYAHLQOSFQVIB-MRXNPFEDSA-N -1 3 381.333 3.344 20 0 GGADHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000824670508 607967926 /nfs/dbraw/zinc/96/79/26/607967926.db2.gz QFYAHLQOSFQVIB-MRXNPFEDSA-N -1 3 381.333 3.344 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000826191803 607968030 /nfs/dbraw/zinc/96/80/30/607968030.db2.gz QKGLHSNPOMMMGL-ZDUSSCGKSA-N -1 3 382.493 3.041 20 0 GGADHM COc1ccc(C[C@H](C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000826191803 607968031 /nfs/dbraw/zinc/96/80/31/607968031.db2.gz QKGLHSNPOMMMGL-ZDUSSCGKSA-N -1 3 382.493 3.041 20 0 GGADHM Cn1ncc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C(F)F ZINC000826365915 607968476 /nfs/dbraw/zinc/96/84/76/607968476.db2.gz KBAXXSHFKUSBMI-UHFFFAOYSA-N -1 3 384.803 3.000 20 0 GGADHM Cn1ncc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C(F)F ZINC000826365915 607968477 /nfs/dbraw/zinc/96/84/77/607968477.db2.gz KBAXXSHFKUSBMI-UHFFFAOYSA-N -1 3 384.803 3.000 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826512133 607969511 /nfs/dbraw/zinc/96/95/11/607969511.db2.gz PPWVJNDFVGWMRV-HNNXBMFYSA-N -1 3 385.884 3.353 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826512133 607969512 /nfs/dbraw/zinc/96/95/12/607969512.db2.gz PPWVJNDFVGWMRV-HNNXBMFYSA-N -1 3 385.884 3.353 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(Oc2cnccn2)cc1 ZINC000825782767 607975283 /nfs/dbraw/zinc/97/52/83/607975283.db2.gz OJRHLHIECGHOJE-UHFFFAOYSA-N -1 3 384.403 3.486 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(Oc2cnccn2)cc1 ZINC000825782767 607975284 /nfs/dbraw/zinc/97/52/84/607975284.db2.gz OJRHLHIECGHOJE-UHFFFAOYSA-N -1 3 384.403 3.486 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000826192039 607977167 /nfs/dbraw/zinc/97/71/67/607977167.db2.gz XTICRRUJWUZVQT-CQSZACIVSA-N -1 3 391.431 3.050 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000826192039 607977168 /nfs/dbraw/zinc/97/71/68/607977168.db2.gz XTICRRUJWUZVQT-CQSZACIVSA-N -1 3 391.431 3.050 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cnc2ccc(F)cc2c1 ZINC000826467849 607978089 /nfs/dbraw/zinc/97/80/89/607978089.db2.gz OJZLQCHMWPYCBB-UHFFFAOYSA-N -1 3 388.362 3.164 20 0 GGADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1cnc2ccc(F)cc2c1 ZINC000826467849 607978090 /nfs/dbraw/zinc/97/80/90/607978090.db2.gz OJZLQCHMWPYCBB-UHFFFAOYSA-N -1 3 388.362 3.164 20 0 GGADHM Cc1cc([C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262613 607978630 /nfs/dbraw/zinc/97/86/30/607978630.db2.gz TWINMPIPPQDLCJ-SFHVURJKSA-N -1 3 380.427 3.265 20 0 GGADHM Cc1cc([C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262613 607978631 /nfs/dbraw/zinc/97/86/31/607978631.db2.gz TWINMPIPPQDLCJ-SFHVURJKSA-N -1 3 380.427 3.265 20 0 GGADHM Cc1cc([C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262612 607978672 /nfs/dbraw/zinc/97/86/72/607978672.db2.gz TWINMPIPPQDLCJ-GOSISDBHSA-N -1 3 380.427 3.265 20 0 GGADHM Cc1cc([C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262612 607978673 /nfs/dbraw/zinc/97/86/73/607978673.db2.gz TWINMPIPPQDLCJ-GOSISDBHSA-N -1 3 380.427 3.265 20 0 GGADHM O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399434 607982084 /nfs/dbraw/zinc/98/20/84/607982084.db2.gz VTFCYHLKDUJGGD-UHFFFAOYSA-N -1 3 391.422 3.062 20 0 GGADHM Fc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1I ZINC000826377366 607983019 /nfs/dbraw/zinc/98/30/19/607983019.db2.gz OKXYERALBFSVCG-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM Fc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1I ZINC000826377366 607983020 /nfs/dbraw/zinc/98/30/20/607983020.db2.gz OKXYERALBFSVCG-UHFFFAOYSA-N -1 3 395.179 3.223 20 0 GGADHM COc1ccc(CSCC(=O)Nc2c(C)cccc2C)cc1-c1nnn[n-]1 ZINC000826207306 607983580 /nfs/dbraw/zinc/98/35/80/607983580.db2.gz JBCHRWDORFLUSK-UHFFFAOYSA-N -1 3 383.477 3.364 20 0 GGADHM COc1ccc(CSCC(=O)Nc2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC000826207306 607983581 /nfs/dbraw/zinc/98/35/81/607983581.db2.gz JBCHRWDORFLUSK-UHFFFAOYSA-N -1 3 383.477 3.364 20 0 GGADHM COc1ccc(CS[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1-c1nnn[n-]1 ZINC000826207261 607983586 /nfs/dbraw/zinc/98/35/86/607983586.db2.gz HGYJEPHATSBPPR-SFHVURJKSA-N -1 3 395.488 3.222 20 0 GGADHM COc1ccc(CS[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1-c1nn[n-]n1 ZINC000826207261 607983587 /nfs/dbraw/zinc/98/35/87/607983587.db2.gz HGYJEPHATSBPPR-SFHVURJKSA-N -1 3 395.488 3.222 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(Cl)nc1 ZINC000825332253 607985315 /nfs/dbraw/zinc/98/53/15/607985315.db2.gz GDTRRJDPMZARQA-YWEYNIOJSA-N -1 3 383.843 3.389 20 0 GGADHM Cc1cccn2cc(CCNc3ccc(-c4nn[n-]n4)cc3Br)nc12 ZINC000826308097 607991640 /nfs/dbraw/zinc/99/16/40/607991640.db2.gz JQVUHDFGAGUKSV-UHFFFAOYSA-N -1 3 398.268 3.240 20 0 GGADHM FC(F)Oc1cccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826370378 607992068 /nfs/dbraw/zinc/99/20/68/607992068.db2.gz PLYFBTWYFIATHJ-QGZVFWFLSA-N -1 3 387.390 3.042 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)c3nc(Cl)ccc3F)c2-c2nnn[n-]2)C1 ZINC000824968934 607999702 /nfs/dbraw/zinc/99/97/02/607999702.db2.gz QVWNTCVJEILPCH-SSDOTTSWSA-N -1 3 392.847 3.493 20 0 GGADHM C[C@@H]1CCc2c(sc(NC(=O)c3nc(Cl)ccc3F)c2-c2nn[n-]n2)C1 ZINC000824968934 607999703 /nfs/dbraw/zinc/99/97/03/607999703.db2.gz QVWNTCVJEILPCH-SSDOTTSWSA-N -1 3 392.847 3.493 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C2CCC(F)(F)CC2)c(-c2nnn[n-]2)c1C ZINC000825576416 607999827 /nfs/dbraw/zinc/99/98/27/607999827.db2.gz GFJRUHKKCVXIBX-UHFFFAOYSA-N -1 3 399.423 3.177 20 0 GGADHM CCOC(=O)c1sc(NC(=O)C2CCC(F)(F)CC2)c(-c2nn[n-]n2)c1C ZINC000825576416 607999828 /nfs/dbraw/zinc/99/98/28/607999828.db2.gz GFJRUHKKCVXIBX-UHFFFAOYSA-N -1 3 399.423 3.177 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826273526 608004125 /nfs/dbraw/zinc/00/41/25/608004125.db2.gz IJDBFJKLUBZPGT-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826273526 608004126 /nfs/dbraw/zinc/00/41/26/608004126.db2.gz IJDBFJKLUBZPGT-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000826175942 608004338 /nfs/dbraw/zinc/00/43/38/608004338.db2.gz VOQGLYIBIIKFRH-UHFFFAOYSA-N -1 3 399.495 3.239 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000826175942 608004339 /nfs/dbraw/zinc/00/43/39/608004339.db2.gz VOQGLYIBIIKFRH-UHFFFAOYSA-N -1 3 399.495 3.239 20 0 GGADHM CC(C)Cn1ncc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C(F)F ZINC000824284412 608006036 /nfs/dbraw/zinc/00/60/36/608006036.db2.gz HYAPKFZQUMEZLT-UHFFFAOYSA-N -1 3 379.346 3.048 20 0 GGADHM CC(C)Cn1ncc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C(F)F ZINC000824284412 608006037 /nfs/dbraw/zinc/00/60/37/608006037.db2.gz HYAPKFZQUMEZLT-UHFFFAOYSA-N -1 3 379.346 3.048 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826190942 608006426 /nfs/dbraw/zinc/00/64/26/608006426.db2.gz RKLLPSBJCBADKG-GFCCVEGCSA-N -1 3 385.855 3.370 20 0 GGADHM COc1ccc(C[C@@H](C)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826190942 608006427 /nfs/dbraw/zinc/00/64/27/608006427.db2.gz RKLLPSBJCBADKG-GFCCVEGCSA-N -1 3 385.855 3.370 20 0 GGADHM CC1(C)CCC(CNC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000824795971 608008389 /nfs/dbraw/zinc/00/83/89/608008389.db2.gz KIEWOXUHEIIIJI-UHFFFAOYSA-N -1 3 398.511 3.308 20 0 GGADHM CC1(C)CCC(CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000824795971 608008390 /nfs/dbraw/zinc/00/83/90/608008390.db2.gz KIEWOXUHEIIIJI-UHFFFAOYSA-N -1 3 398.511 3.308 20 0 GGADHM Cc1cc([C@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)ccc1F ZINC000826262609 608009675 /nfs/dbraw/zinc/00/96/75/608009675.db2.gz TUWPZVGHDNYFFX-OAHLLOKOSA-N -1 3 386.818 3.244 20 0 GGADHM Cc1cc([C@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)ccc1F ZINC000826262609 608009676 /nfs/dbraw/zinc/00/96/76/608009676.db2.gz TUWPZVGHDNYFFX-OAHLLOKOSA-N -1 3 386.818 3.244 20 0 GGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000824437147 608016770 /nfs/dbraw/zinc/01/67/70/608016770.db2.gz ZBYZPJPAHDQZKB-SNVBAGLBSA-N -1 3 382.815 3.181 20 0 GGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000824437147 608016771 /nfs/dbraw/zinc/01/67/71/608016771.db2.gz ZBYZPJPAHDQZKB-SNVBAGLBSA-N -1 3 382.815 3.181 20 0 GGADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000824428983 608016877 /nfs/dbraw/zinc/01/68/77/608016877.db2.gz VEKRLIBUGXVSJJ-ZDUSSCGKSA-N -1 3 398.430 3.102 20 0 GGADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000824428983 608016878 /nfs/dbraw/zinc/01/68/78/608016878.db2.gz VEKRLIBUGXVSJJ-ZDUSSCGKSA-N -1 3 398.430 3.102 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000826263068 608019191 /nfs/dbraw/zinc/01/91/91/608019191.db2.gz KAROKXBPNSVMBP-MRXNPFEDSA-N -1 3 394.504 3.162 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000826263068 608019192 /nfs/dbraw/zinc/01/91/92/608019192.db2.gz KAROKXBPNSVMBP-MRXNPFEDSA-N -1 3 394.504 3.162 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1(CCOCc2ccccc2)CC1 ZINC000826452512 608023031 /nfs/dbraw/zinc/02/30/31/608023031.db2.gz WHYCLAJKGDNEKB-UHFFFAOYSA-N -1 3 378.436 3.128 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1(CCOCc2ccccc2)CC1 ZINC000826452512 608023032 /nfs/dbraw/zinc/02/30/32/608023032.db2.gz WHYCLAJKGDNEKB-UHFFFAOYSA-N -1 3 378.436 3.128 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnc([C@H]2CCCO2)s1 ZINC000826452407 608024508 /nfs/dbraw/zinc/02/45/08/608024508.db2.gz SDQWAHZCWBHSLY-LLVKDONJSA-N -1 3 376.829 3.080 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc([C@H]2CCCO2)s1 ZINC000826452407 608024509 /nfs/dbraw/zinc/02/45/09/608024509.db2.gz SDQWAHZCWBHSLY-LLVKDONJSA-N -1 3 376.829 3.080 20 0 GGADHM CC1(C)CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000824806828 608025463 /nfs/dbraw/zinc/02/54/63/608025463.db2.gz DBBGSAGGKYFALB-UHFFFAOYSA-N -1 3 383.477 3.133 20 0 GGADHM CC1(C)CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000824806828 608025464 /nfs/dbraw/zinc/02/54/64/608025464.db2.gz DBBGSAGGKYFALB-UHFFFAOYSA-N -1 3 383.477 3.133 20 0 GGADHM C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccc[nH]1 ZINC000824522415 608026060 /nfs/dbraw/zinc/02/60/60/608026060.db2.gz SJDFBMAXYKDEHZ-AWEZNQCLSA-N -1 3 388.431 3.265 20 0 GGADHM C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC000824522415 608026061 /nfs/dbraw/zinc/02/60/61/608026061.db2.gz SJDFBMAXYKDEHZ-AWEZNQCLSA-N -1 3 388.431 3.265 20 0 GGADHM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccccn1 ZINC000826219188 608027270 /nfs/dbraw/zinc/02/72/70/608027270.db2.gz VLNNQKJLAUZXLL-SFHVURJKSA-N -1 3 378.461 3.211 20 0 GGADHM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC000826219188 608027271 /nfs/dbraw/zinc/02/72/71/608027271.db2.gz VLNNQKJLAUZXLL-SFHVURJKSA-N -1 3 378.461 3.211 20 0 GGADHM COc1ccccc1[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccccn1 ZINC000826218430 608027321 /nfs/dbraw/zinc/02/73/21/608027321.db2.gz BNEDRRBKLGZJHS-GOSISDBHSA-N -1 3 378.461 3.211 20 0 GGADHM COc1ccccc1[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccccn1 ZINC000826218430 608027322 /nfs/dbraw/zinc/02/73/22/608027322.db2.gz BNEDRRBKLGZJHS-GOSISDBHSA-N -1 3 378.461 3.211 20 0 GGADHM CN(C(=O)c1cnc([C@H]2CCCO2)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825834487 608028767 /nfs/dbraw/zinc/02/87/67/608028767.db2.gz WHAKACCJMGBWLJ-GFCCVEGCSA-N -1 3 390.856 3.105 20 0 GGADHM CN(C(=O)c1cnc([C@H]2CCCO2)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825834487 608028768 /nfs/dbraw/zinc/02/87/68/608028768.db2.gz WHAKACCJMGBWLJ-GFCCVEGCSA-N -1 3 390.856 3.105 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081078 608029572 /nfs/dbraw/zinc/02/95/72/608029572.db2.gz FOCPRGFCAKRCPC-NSHDSACASA-N -1 3 384.415 3.408 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081078 608029573 /nfs/dbraw/zinc/02/95/73/608029573.db2.gz FOCPRGFCAKRCPC-NSHDSACASA-N -1 3 384.415 3.408 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)c1C1CC1 ZINC000825081145 608029612 /nfs/dbraw/zinc/02/96/12/608029612.db2.gz GTKMYZQNRFJOOP-GFCCVEGCSA-N -1 3 396.451 3.277 20 0 GGADHM CC[C@@H](C)n1ncc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)c1C1CC1 ZINC000825081145 608029613 /nfs/dbraw/zinc/02/96/13/608029613.db2.gz GTKMYZQNRFJOOP-GFCCVEGCSA-N -1 3 396.451 3.277 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081328 608029835 /nfs/dbraw/zinc/02/98/35/608029835.db2.gz ILRJFUPBCXQBIG-LBPRGKRZSA-N -1 3 396.451 3.277 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081328 608029836 /nfs/dbraw/zinc/02/98/36/608029836.db2.gz ILRJFUPBCXQBIG-LBPRGKRZSA-N -1 3 396.451 3.277 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(N2CCCC2=O)ccc1Cl ZINC000826466197 608031046 /nfs/dbraw/zinc/03/10/46/608031046.db2.gz SFKLLSBGZVEYSM-UHFFFAOYSA-N -1 3 397.822 3.004 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(N2CCCC2=O)ccc1Cl ZINC000826466197 608031047 /nfs/dbraw/zinc/03/10/47/608031047.db2.gz SFKLLSBGZVEYSM-UHFFFAOYSA-N -1 3 397.822 3.004 20 0 GGADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccc[nH]1 ZINC000824505460 608031100 /nfs/dbraw/zinc/03/11/00/608031100.db2.gz DGVLCWWPNHJPFV-LBPRGKRZSA-N -1 3 390.407 3.265 20 0 GGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284133 608031137 /nfs/dbraw/zinc/03/11/37/608031137.db2.gz CDFRUVGYKJFTJK-UHFFFAOYSA-N -1 3 394.361 3.440 20 0 GGADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284133 608031138 /nfs/dbraw/zinc/03/11/38/608031138.db2.gz CDFRUVGYKJFTJK-UHFFFAOYSA-N -1 3 394.361 3.440 20 0 GGADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccc[nH]1 ZINC000824505459 608031154 /nfs/dbraw/zinc/03/11/54/608031154.db2.gz DGVLCWWPNHJPFV-GFCCVEGCSA-N -1 3 390.407 3.265 20 0 GGADHM Cn1c2ccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)cc2nc1C1CC1 ZINC000826355096 608031300 /nfs/dbraw/zinc/03/13/00/608031300.db2.gz KBPASJLYRZYGRM-DHZHZOJOSA-N -1 3 385.431 3.283 20 0 GGADHM Cn1c2ccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)cc2nc1C1CC1 ZINC000826355096 608031301 /nfs/dbraw/zinc/03/13/01/608031301.db2.gz KBPASJLYRZYGRM-DHZHZOJOSA-N -1 3 385.431 3.283 20 0 GGADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)c(OC)c1 ZINC000826204084 608047819 /nfs/dbraw/zinc/04/78/19/608047819.db2.gz WOKUGJCFGYMEGQ-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000826264929 608049443 /nfs/dbraw/zinc/04/94/43/608049443.db2.gz GDIMKHPVEVPSBR-INIZCTEOSA-N -1 3 388.479 3.287 20 0 GGADHM Cc1cc(C)n(C[C@@H]2CCCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000826264929 608049444 /nfs/dbraw/zinc/04/94/44/608049444.db2.gz GDIMKHPVEVPSBR-INIZCTEOSA-N -1 3 388.479 3.287 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1NC[C@H]1OCCc2ccccc21 ZINC000823826220 608049908 /nfs/dbraw/zinc/04/99/08/608049908.db2.gz DSHDCRFTDDUDGI-MRXNPFEDSA-N -1 3 386.253 3.355 20 0 GGADHM CCCO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000825339388 608050060 /nfs/dbraw/zinc/05/00/60/608050060.db2.gz YTOJUGKFMOLHOR-CYBMUJFWSA-N -1 3 380.290 3.415 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2cccs2)C1 ZINC000823826150 608051069 /nfs/dbraw/zinc/05/10/69/608051069.db2.gz DHEPJBCMWDJOLI-ZDUSSCGKSA-N -1 3 392.282 3.269 20 0 GGADHM CCc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(OC)c1 ZINC000825717458 608055457 /nfs/dbraw/zinc/05/54/57/608055457.db2.gz LZCKDDJKYIJBBL-UHFFFAOYSA-N -1 3 378.392 3.067 20 0 GGADHM CCc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(OC)c1 ZINC000825717458 608055458 /nfs/dbraw/zinc/05/54/58/608055458.db2.gz LZCKDDJKYIJBBL-UHFFFAOYSA-N -1 3 378.392 3.067 20 0 GGADHM CCc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(OC)c1 ZINC000825717133 608055567 /nfs/dbraw/zinc/05/55/67/608055567.db2.gz GSORCKXSPONZFD-UHFFFAOYSA-N -1 3 378.392 3.067 20 0 GGADHM CCc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(OC)c1 ZINC000825717133 608055568 /nfs/dbraw/zinc/05/55/68/608055568.db2.gz GSORCKXSPONZFD-UHFFFAOYSA-N -1 3 378.392 3.067 20 0 GGADHM COc1ccc(COC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826205904 608058154 /nfs/dbraw/zinc/05/81/54/608058154.db2.gz SXXFCUZFIUCCLO-UHFFFAOYSA-N -1 3 394.218 3.121 20 0 GGADHM COc1ccc(COC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826205904 608058155 /nfs/dbraw/zinc/05/81/55/608058155.db2.gz SXXFCUZFIUCCLO-UHFFFAOYSA-N -1 3 394.218 3.121 20 0 GGADHM O=C(NCc1ccon1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826443118 608059277 /nfs/dbraw/zinc/05/92/77/608059277.db2.gz BHPJKFIKYQMIHM-UHFFFAOYSA-N -1 3 396.794 3.230 20 0 GGADHM O=C(NCc1ccon1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826443118 608059278 /nfs/dbraw/zinc/05/92/78/608059278.db2.gz BHPJKFIKYQMIHM-UHFFFAOYSA-N -1 3 396.794 3.230 20 0 GGADHM CCC(=O)COC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825035230 608059653 /nfs/dbraw/zinc/05/96/53/608059653.db2.gz YLJCCKBRDIQWGW-UHFFFAOYSA-N -1 3 386.795 3.448 20 0 GGADHM CCC(=O)COC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825035230 608059654 /nfs/dbraw/zinc/05/96/54/608059654.db2.gz YLJCCKBRDIQWGW-UHFFFAOYSA-N -1 3 386.795 3.448 20 0 GGADHM CCC(CC)[C@@H](C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825094791 608060331 /nfs/dbraw/zinc/06/03/31/608060331.db2.gz BRPMFYYLLBEPNQ-CQSZACIVSA-N -1 3 398.511 3.116 20 0 GGADHM CCC(CC)[C@@H](C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825094791 608060332 /nfs/dbraw/zinc/06/03/32/608060332.db2.gz BRPMFYYLLBEPNQ-CQSZACIVSA-N -1 3 398.511 3.116 20 0 GGADHM CC(C)CC1(CNC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CCC1 ZINC000824235021 608065238 /nfs/dbraw/zinc/06/52/38/608065238.db2.gz APXMJOXINXYOID-SFHVURJKSA-N -1 3 398.511 3.166 20 0 GGADHM CC(C)CC1(CNC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CCC1 ZINC000824235021 608065239 /nfs/dbraw/zinc/06/52/39/608065239.db2.gz APXMJOXINXYOID-SFHVURJKSA-N -1 3 398.511 3.166 20 0 GGADHM CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826231226 608072501 /nfs/dbraw/zinc/07/25/01/608072501.db2.gz CHSQFBSHIQFVGN-INIZCTEOSA-N -1 3 396.476 3.194 20 0 GGADHM CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826231226 608072502 /nfs/dbraw/zinc/07/25/02/608072502.db2.gz CHSQFBSHIQFVGN-INIZCTEOSA-N -1 3 396.476 3.194 20 0 GGADHM Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1Cl ZINC000826299664 608073366 /nfs/dbraw/zinc/07/33/66/608073366.db2.gz PBBQPOQIDDQBQM-INIZCTEOSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1Cl ZINC000826299664 608073367 /nfs/dbraw/zinc/07/33/67/608073367.db2.gz PBBQPOQIDDQBQM-INIZCTEOSA-N -1 3 398.854 3.434 20 0 GGADHM Cc1c2c(nc(SCc3cc(F)cc4c3OCOC4)c1-c1nnn[n-]1)CCC2 ZINC000826242958 608074166 /nfs/dbraw/zinc/07/41/66/608074166.db2.gz NONDTIKYBBTORG-UHFFFAOYSA-N -1 3 399.451 3.357 20 0 GGADHM Cc1c2c(nc(SCc3cc(F)cc4c3OCOC4)c1-c1nn[n-]n1)CCC2 ZINC000826242958 608074167 /nfs/dbraw/zinc/07/41/67/608074167.db2.gz NONDTIKYBBTORG-UHFFFAOYSA-N -1 3 399.451 3.357 20 0 GGADHM C[C@H]1CC[C@H](COC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000824907248 608076160 /nfs/dbraw/zinc/07/61/60/608076160.db2.gz HGEFYGBKBVOZCW-KBXCAEBGSA-N -1 3 394.431 3.170 20 0 GGADHM C[C@H]1CC[C@H](COC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000824907248 608076161 /nfs/dbraw/zinc/07/61/61/608076161.db2.gz HGEFYGBKBVOZCW-KBXCAEBGSA-N -1 3 394.431 3.170 20 0 GGADHM CNc1nc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000826090286 608077888 /nfs/dbraw/zinc/07/78/88/608077888.db2.gz FQOSOSWFMGNVMV-UHFFFAOYSA-N -1 3 393.432 3.410 20 0 GGADHM CNc1nc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000826090286 608077889 /nfs/dbraw/zinc/07/78/89/608077889.db2.gz FQOSOSWFMGNVMV-UHFFFAOYSA-N -1 3 393.432 3.410 20 0 GGADHM CC(C)(C)SCCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824124750 608083617 /nfs/dbraw/zinc/08/36/17/608083617.db2.gz YUWJOSVRYZZCPG-INIZCTEOSA-N -1 3 389.525 3.079 20 0 GGADHM CC(C)(C)SCCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824124750 608083618 /nfs/dbraw/zinc/08/36/18/608083618.db2.gz YUWJOSVRYZZCPG-INIZCTEOSA-N -1 3 389.525 3.079 20 0 GGADHM O=C(/C=C/Sc1ccccc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826399625 608089759 /nfs/dbraw/zinc/08/97/59/608089759.db2.gz AUDMWRVWTCCNBU-ZPHJMFTNSA-N -1 3 393.472 3.073 20 0 GGADHM O=C(/C=C/Sc1ccccc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826399625 608089760 /nfs/dbraw/zinc/08/97/60/608089760.db2.gz AUDMWRVWTCCNBU-ZPHJMFTNSA-N -1 3 393.472 3.073 20 0 GGADHM O=C(C/C=C\c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826404947 608090031 /nfs/dbraw/zinc/09/00/31/608090031.db2.gz QXMJDCSFJYJCQG-SOHNTWGLSA-N -1 3 393.422 3.009 20 0 GGADHM O=C(C/C=C\c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826404947 608090032 /nfs/dbraw/zinc/09/00/32/608090032.db2.gz QXMJDCSFJYJCQG-SOHNTWGLSA-N -1 3 393.422 3.009 20 0 GGADHM O=C(C=Cc1ccc(Cl)cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826399814 608090642 /nfs/dbraw/zinc/09/06/42/608090642.db2.gz GZCIMGCMRQCNOT-KKMIYCERSA-N -1 3 395.850 3.133 20 0 GGADHM O=C(C=Cc1ccc(Cl)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826399814 608090643 /nfs/dbraw/zinc/09/06/43/608090643.db2.gz GZCIMGCMRQCNOT-KKMIYCERSA-N -1 3 395.850 3.133 20 0 GGADHM O=C(NC1CCC(F)(F)CC1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429909 608090739 /nfs/dbraw/zinc/09/07/39/608090739.db2.gz PSHPHLHBEPZHDC-UHFFFAOYSA-N -1 3 376.194 3.481 20 0 GGADHM O=C(NC1CCC(F)(F)CC1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429909 608090740 /nfs/dbraw/zinc/09/07/40/608090740.db2.gz PSHPHLHBEPZHDC-UHFFFAOYSA-N -1 3 376.194 3.481 20 0 GGADHM CC(C)c1ccc2c(c1)[C@H](N[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000824348030 608099077 /nfs/dbraw/zinc/09/90/77/608099077.db2.gz XGQIWKHKDHSRBR-UXHICEINSA-N -1 3 390.491 3.184 20 0 GGADHM CC(C)c1ccc2c(c1)[C@H](N[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000824348032 608099287 /nfs/dbraw/zinc/09/92/87/608099287.db2.gz XGQIWKHKDHSRBR-WOJBJXKFSA-N -1 3 390.491 3.184 20 0 GGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000824745575 608102285 /nfs/dbraw/zinc/10/22/85/608102285.db2.gz RYMWTRWQKUHMLG-BIENJYKASA-N -1 3 377.448 3.074 20 0 GGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000824745575 608102286 /nfs/dbraw/zinc/10/22/86/608102286.db2.gz RYMWTRWQKUHMLG-BIENJYKASA-N -1 3 377.448 3.074 20 0 GGADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826401644 608102825 /nfs/dbraw/zinc/10/28/25/608102825.db2.gz CYJFYUAGHPJHTE-RMKNXTFCSA-N -1 3 381.386 3.354 20 0 GGADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(c2ccc(F)cc2F)CCC1 ZINC000826401644 608102826 /nfs/dbraw/zinc/10/28/26/608102826.db2.gz CYJFYUAGHPJHTE-RMKNXTFCSA-N -1 3 381.386 3.354 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)[C@@H]1CCCO1 ZINC000738174481 608114170 /nfs/dbraw/zinc/11/41/70/608114170.db2.gz ZZKMMBXRNGJDDR-KRWDZBQOSA-N -1 3 399.838 3.217 20 0 GGADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)[C@@H]1CCCO1 ZINC000738174481 608114171 /nfs/dbraw/zinc/11/41/71/608114171.db2.gz ZZKMMBXRNGJDDR-KRWDZBQOSA-N -1 3 399.838 3.217 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1NCc1ccco1 ZINC000825971375 608115842 /nfs/dbraw/zinc/11/58/42/608115842.db2.gz DMDFSYMEVUHYIV-UHFFFAOYSA-N -1 3 388.431 3.344 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1NCc1ccco1 ZINC000825971375 608115843 /nfs/dbraw/zinc/11/58/43/608115843.db2.gz DMDFSYMEVUHYIV-UHFFFAOYSA-N -1 3 388.431 3.344 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000824736990 608116120 /nfs/dbraw/zinc/11/61/20/608116120.db2.gz ANCMBYKFHPEYHW-CYBMUJFWSA-N -1 3 397.866 3.135 20 0 GGADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)N1CC[C@H](C2CC2)C1 ZINC000826455255 608118639 /nfs/dbraw/zinc/11/86/39/608118639.db2.gz GPNSKOCKXFLILC-HNNXBMFYSA-N -1 3 391.435 3.318 20 0 GGADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@H]1CCO[C@H]1C ZINC000826271818 608119370 /nfs/dbraw/zinc/11/93/70/608119370.db2.gz IWYIRDXBHLDGPQ-UGSOOPFHSA-N -1 3 394.435 3.266 20 0 GGADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@H]1CCO[C@H]1C ZINC000826271818 608119371 /nfs/dbraw/zinc/11/93/71/608119371.db2.gz IWYIRDXBHLDGPQ-UGSOOPFHSA-N -1 3 394.435 3.266 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc(C)c1F ZINC000826260634 608120732 /nfs/dbraw/zinc/12/07/32/608120732.db2.gz XZCALIOWHUFQPC-UHFFFAOYSA-N -1 3 377.326 3.476 20 0 GGADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc(C)c1F ZINC000826260634 608120733 /nfs/dbraw/zinc/12/07/33/608120733.db2.gz XZCALIOWHUFQPC-UHFFFAOYSA-N -1 3 377.326 3.476 20 0 GGADHM CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825439594 608122241 /nfs/dbraw/zinc/12/22/41/608122241.db2.gz GJCOXKSMGNMBPI-ZDUSSCGKSA-N -1 3 396.520 3.266 20 0 GGADHM Cc1cccc([C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826297654 608129775 /nfs/dbraw/zinc/12/97/75/608129775.db2.gz ODBRZZXDNIWJBF-GOSISDBHSA-N -1 3 391.475 3.349 20 0 GGADHM Cc1cccc([C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826297654 608129776 /nfs/dbraw/zinc/12/97/76/608129776.db2.gz ODBRZZXDNIWJBF-GOSISDBHSA-N -1 3 391.475 3.349 20 0 GGADHM Brc1ccc([C@@H]2CCCN2Cc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000823826500 608130234 /nfs/dbraw/zinc/13/02/34/608130234.db2.gz KBICLTQKVYHRBQ-LBPRGKRZSA-N -1 3 391.298 3.423 20 0 GGADHM Brc1ccc([C@@H]2CCCN2Cc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000823826500 608130235 /nfs/dbraw/zinc/13/02/35/608130235.db2.gz KBICLTQKVYHRBQ-LBPRGKRZSA-N -1 3 391.298 3.423 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264562 608131733 /nfs/dbraw/zinc/13/17/33/608131733.db2.gz SFHVWDSKHXWBGW-IAGOWNOFSA-N -1 3 391.475 3.267 20 0 GGADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264562 608131734 /nfs/dbraw/zinc/13/17/34/608131734.db2.gz SFHVWDSKHXWBGW-IAGOWNOFSA-N -1 3 391.475 3.267 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC/C=C\c1ccccc1OC ZINC000826161811 608136293 /nfs/dbraw/zinc/13/62/93/608136293.db2.gz AXBZQIDXPFCIBM-ALCCZGGFSA-N -1 3 381.436 3.026 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC/C=C\c1ccccc1OC ZINC000826161811 608136294 /nfs/dbraw/zinc/13/62/94/608136294.db2.gz AXBZQIDXPFCIBM-ALCCZGGFSA-N -1 3 381.436 3.026 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000826161721 608137315 /nfs/dbraw/zinc/13/73/15/608137315.db2.gz WPAHTUGSXBITIP-UHFFFAOYSA-N -1 3 397.366 3.030 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000826161721 608137316 /nfs/dbraw/zinc/13/73/16/608137316.db2.gz WPAHTUGSXBITIP-UHFFFAOYSA-N -1 3 397.366 3.030 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825115455 608137615 /nfs/dbraw/zinc/13/76/15/608137615.db2.gz YZPMZFXLDMVYHZ-OAHLLOKOSA-N -1 3 387.484 3.437 20 0 GGADHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825115455 608137616 /nfs/dbraw/zinc/13/76/16/608137616.db2.gz YZPMZFXLDMVYHZ-OAHLLOKOSA-N -1 3 387.484 3.437 20 0 GGADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000825705142 608137785 /nfs/dbraw/zinc/13/77/85/608137785.db2.gz WYMJCPYWLDVMNW-CQSZACIVSA-N -1 3 395.463 3.197 20 0 GGADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000825705142 608137786 /nfs/dbraw/zinc/13/77/86/608137786.db2.gz WYMJCPYWLDVMNW-CQSZACIVSA-N -1 3 395.463 3.197 20 0 GGADHM COc1cccc(CC2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)c1 ZINC000826216095 608139806 /nfs/dbraw/zinc/13/98/06/608139806.db2.gz KKMDHBJDTXUPEK-UHFFFAOYSA-N -1 3 383.477 3.032 20 0 GGADHM COc1cccc(CC2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)c1 ZINC000826216095 608139807 /nfs/dbraw/zinc/13/98/07/608139807.db2.gz KKMDHBJDTXUPEK-UHFFFAOYSA-N -1 3 383.477 3.032 20 0 GGADHM CC(=O)c1cc(Br)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824011237 608139850 /nfs/dbraw/zinc/13/98/50/608139850.db2.gz ZPNPJXFTTHKMAQ-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CC(=O)c1cc(Br)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824011237 608139851 /nfs/dbraw/zinc/13/98/51/608139851.db2.gz ZPNPJXFTTHKMAQ-UHFFFAOYSA-N -1 3 392.238 3.146 20 0 GGADHM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC000826231416 608140867 /nfs/dbraw/zinc/14/08/67/608140867.db2.gz KNAVTPAGAGMLFP-LBPRGKRZSA-N -1 3 384.509 3.289 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccccc1C(=O)NC1CCCC1 ZINC000826184792 608150968 /nfs/dbraw/zinc/15/09/68/608150968.db2.gz LDPXWWJMUJSZJT-UHFFFAOYSA-N -1 3 393.447 3.127 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccccc1C(=O)NC1CCCC1 ZINC000826184792 608150969 /nfs/dbraw/zinc/15/09/69/608150969.db2.gz LDPXWWJMUJSZJT-UHFFFAOYSA-N -1 3 393.447 3.127 20 0 GGADHM CCC1(CO)CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000825170774 608151665 /nfs/dbraw/zinc/15/16/65/608151665.db2.gz HHLQMSXEASJSLL-UHFFFAOYSA-N -1 3 390.850 3.196 20 0 GGADHM CCC1(CO)CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000825170774 608151666 /nfs/dbraw/zinc/15/16/66/608151666.db2.gz HHLQMSXEASJSLL-UHFFFAOYSA-N -1 3 390.850 3.196 20 0 GGADHM CC(C)c1cc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)no1 ZINC000824341805 608152512 /nfs/dbraw/zinc/15/25/12/608152512.db2.gz DDPVUXUIVZNWER-UHFFFAOYSA-N -1 3 378.392 3.418 20 0 GGADHM CC(C)c1cc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)no1 ZINC000824341805 608152513 /nfs/dbraw/zinc/15/25/13/608152513.db2.gz DDPVUXUIVZNWER-UHFFFAOYSA-N -1 3 378.392 3.418 20 0 GGADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ncccc1C(F)(F)F ZINC000824148454 608154853 /nfs/dbraw/zinc/15/48/53/608154853.db2.gz VQHIRRYEHQWLHU-UHFFFAOYSA-N -1 3 379.346 3.089 20 0 GGADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ncccc1C(F)(F)F ZINC000824148454 608154855 /nfs/dbraw/zinc/15/48/55/608154855.db2.gz VQHIRRYEHQWLHU-UHFFFAOYSA-N -1 3 379.346 3.089 20 0 GGADHM C[C@H](C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000824045322 608155668 /nfs/dbraw/zinc/15/56/68/608155668.db2.gz LFFUHFMTWSFKHS-NSHDSACASA-N -1 3 395.373 3.073 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826185252 608157385 /nfs/dbraw/zinc/15/73/85/608157385.db2.gz DQIZWLHKBZGJNC-UHFFFAOYSA-N -1 3 383.839 3.490 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000826185252 608157386 /nfs/dbraw/zinc/15/73/86/608157386.db2.gz DQIZWLHKBZGJNC-UHFFFAOYSA-N -1 3 383.839 3.490 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000824113769 608161035 /nfs/dbraw/zinc/16/10/35/608161035.db2.gz CRYYSOHYGGGHHB-UHFFFAOYSA-N -1 3 391.431 3.025 20 0 GGADHM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000824113769 608161037 /nfs/dbraw/zinc/16/10/37/608161037.db2.gz CRYYSOHYGGGHHB-UHFFFAOYSA-N -1 3 391.431 3.025 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000825532350 608161879 /nfs/dbraw/zinc/16/18/79/608161879.db2.gz SKJPXBXPKSVJNH-UHFFFAOYSA-N -1 3 386.334 3.106 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)CCCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000825532350 608161880 /nfs/dbraw/zinc/16/18/80/608161880.db2.gz SKJPXBXPKSVJNH-UHFFFAOYSA-N -1 3 386.334 3.106 20 0 GGADHM Cc1cccc(C2=CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC000826297353 608163496 /nfs/dbraw/zinc/16/34/96/608163496.db2.gz DPRBSMYFBWZKJG-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM Cc1cccc(C2=CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000826297353 608163498 /nfs/dbraw/zinc/16/34/98/608163498.db2.gz DPRBSMYFBWZKJG-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM Cc1cccc(C2=CCN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826296871 608163540 /nfs/dbraw/zinc/16/35/40/608163540.db2.gz MNTALFORAORXMY-MRXNPFEDSA-N -1 3 389.459 3.258 20 0 GGADHM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000824715410 608164220 /nfs/dbraw/zinc/16/42/20/608164220.db2.gz SBDZTKAMEBZFGK-XIKOKIGWSA-N -1 3 399.401 3.418 20 0 GGADHM O=C(N[C@@H]1CC12CCCCC2)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826428432 608165413 /nfs/dbraw/zinc/16/54/13/608165413.db2.gz BSXBYPZOBVWLPV-GOSISDBHSA-N -1 3 393.447 3.491 20 0 GGADHM O=C(N[C@@H]1CC12CCCCC2)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826428432 608165415 /nfs/dbraw/zinc/16/54/15/608165415.db2.gz BSXBYPZOBVWLPV-GOSISDBHSA-N -1 3 393.447 3.491 20 0 GGADHM CCOc1ccc2[nH]c(Sc3snc(Cl)c3-c3nnn[n-]3)nc2c1 ZINC000825649012 608170622 /nfs/dbraw/zinc/17/06/22/608170622.db2.gz JFZXTAOZNHJRMB-UHFFFAOYSA-N -1 3 379.858 3.403 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC=Cc1ccc(F)cc1 ZINC000825787318 608173128 /nfs/dbraw/zinc/17/31/28/608173128.db2.gz BPQHKVQUVFIASO-ONEGZZNKSA-N -1 3 391.410 3.417 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC=Cc1ccc(F)cc1 ZINC000825787318 608173129 /nfs/dbraw/zinc/17/31/29/608173129.db2.gz BPQHKVQUVFIASO-ONEGZZNKSA-N -1 3 391.410 3.417 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000825787380 608174029 /nfs/dbraw/zinc/17/40/29/608174029.db2.gz FSFLUXIQYJEJFD-CQSZACIVSA-N -1 3 387.447 3.295 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000825787380 608174031 /nfs/dbraw/zinc/17/40/31/608174031.db2.gz FSFLUXIQYJEJFD-CQSZACIVSA-N -1 3 387.447 3.295 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCc1cccc(F)c1F ZINC000825787980 608175670 /nfs/dbraw/zinc/17/56/70/608175670.db2.gz MLNBCPDVNXRBLM-UHFFFAOYSA-N -1 3 397.389 3.086 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCc1cccc(F)c1F ZINC000825787980 608175671 /nfs/dbraw/zinc/17/56/71/608175671.db2.gz MLNBCPDVNXRBLM-UHFFFAOYSA-N -1 3 397.389 3.086 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](C)c1cccc(C)c1 ZINC000825788764 608175859 /nfs/dbraw/zinc/17/58/59/608175859.db2.gz VCOHVEOUMHLARM-CYBMUJFWSA-N -1 3 375.436 3.287 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)c1cccc(C)c1 ZINC000825788764 608175860 /nfs/dbraw/zinc/17/58/60/608175860.db2.gz VCOHVEOUMHLARM-CYBMUJFWSA-N -1 3 375.436 3.287 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C(C)C)nc1 ZINC000825793095 608177276 /nfs/dbraw/zinc/17/72/76/608177276.db2.gz MNOQTRKTMILGBP-UHFFFAOYSA-N -1 3 376.424 3.007 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C(C)C)nc1 ZINC000825793095 608177278 /nfs/dbraw/zinc/17/72/78/608177278.db2.gz MNOQTRKTMILGBP-UHFFFAOYSA-N -1 3 376.424 3.007 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCCOc1ccccc1 ZINC000825788576 608178246 /nfs/dbraw/zinc/17/82/46/608178246.db2.gz ROLLKKRLZNRGRO-UHFFFAOYSA-N -1 3 391.435 3.034 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCCOc1ccccc1 ZINC000825788576 608178247 /nfs/dbraw/zinc/17/82/47/608178247.db2.gz ROLLKKRLZNRGRO-UHFFFAOYSA-N -1 3 391.435 3.034 20 0 GGADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(C(F)F)c1 ZINC000825793021 608178884 /nfs/dbraw/zinc/17/88/84/608178884.db2.gz JMCLURXXWRDSAY-UHFFFAOYSA-N -1 3 383.362 3.426 20 0 GGADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(C(F)F)c1 ZINC000825793021 608178885 /nfs/dbraw/zinc/17/88/85/608178885.db2.gz JMCLURXXWRDSAY-UHFFFAOYSA-N -1 3 383.362 3.426 20 0 GGADHM C[C@@H](OC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824708168 608183221 /nfs/dbraw/zinc/18/32/21/608183221.db2.gz XOGHWLGWGATPFF-CYBMUJFWSA-N -1 3 394.431 3.220 20 0 GGADHM C[C@@H](OC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824708168 608183223 /nfs/dbraw/zinc/18/32/23/608183223.db2.gz XOGHWLGWGATPFF-CYBMUJFWSA-N -1 3 394.431 3.220 20 0 GGADHM CN1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028514 608194391 /nfs/dbraw/zinc/19/43/91/608194391.db2.gz BMLGNBXJXSQJPA-CMPLNLGQSA-N -1 3 397.842 3.112 20 0 GGADHM CN1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028514 608194392 /nfs/dbraw/zinc/19/43/92/608194392.db2.gz BMLGNBXJXSQJPA-CMPLNLGQSA-N -1 3 397.842 3.112 20 0 GGADHM Cc1nc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cs1 ZINC000826326771 608201836 /nfs/dbraw/zinc/20/18/36/608201836.db2.gz DAFQUOBISCHRNQ-UHFFFAOYSA-N -1 3 382.405 3.056 20 0 GGADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCc1cccs1 ZINC000824756503 608205972 /nfs/dbraw/zinc/20/59/72/608205972.db2.gz OHQDVYGBFOVJFS-SECBINFHSA-N -1 3 379.898 3.379 20 0 GGADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCc1cccs1 ZINC000824756503 608205973 /nfs/dbraw/zinc/20/59/73/608205973.db2.gz OHQDVYGBFOVJFS-SECBINFHSA-N -1 3 379.898 3.379 20 0 GGADHM O=C(NN1CCCCC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826444685 608206068 /nfs/dbraw/zinc/20/60/68/608206068.db2.gz QFVZQKIRRZJTLK-UHFFFAOYSA-N -1 3 398.854 3.443 20 0 GGADHM O=C(NN1CCCCC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826444685 608206069 /nfs/dbraw/zinc/20/60/69/608206069.db2.gz QFVZQKIRRZJTLK-UHFFFAOYSA-N -1 3 398.854 3.443 20 0 GGADHM Cc1ocnc1CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826254869 608208526 /nfs/dbraw/zinc/20/85/26/608208526.db2.gz CZOPKVVJMRRQOP-UHFFFAOYSA-N -1 3 390.403 3.194 20 0 GGADHM Cc1ocnc1CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826254869 608208527 /nfs/dbraw/zinc/20/85/27/608208527.db2.gz CZOPKVVJMRRQOP-UHFFFAOYSA-N -1 3 390.403 3.194 20 0 GGADHM Cc1cccc(C2=CCN([C@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826297671 608209517 /nfs/dbraw/zinc/20/95/17/608209517.db2.gz OOEQDDRQIULUCB-MRXNPFEDSA-N -1 3 388.475 3.291 20 0 GGADHM Cc1cccc(C2=CCN([C@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826297671 608209519 /nfs/dbraw/zinc/20/95/19/608209519.db2.gz OOEQDDRQIULUCB-MRXNPFEDSA-N -1 3 388.475 3.291 20 0 GGADHM CC(=O)CCN(C)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823967849 608212373 /nfs/dbraw/zinc/21/23/73/608212373.db2.gz QYJFCDLTOQXAGG-UHFFFAOYSA-N -1 3 381.461 3.069 20 0 GGADHM CC(=O)CCN(C)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823967849 608212374 /nfs/dbraw/zinc/21/23/74/608212374.db2.gz QYJFCDLTOQXAGG-UHFFFAOYSA-N -1 3 381.461 3.069 20 0 GGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825275877 608217008 /nfs/dbraw/zinc/21/70/08/608217008.db2.gz FTKFJKCIXMEVFT-UHFFFAOYSA-N -1 3 397.458 3.032 20 0 GGADHM CCCCCN(Cc1ccc(F)cc1)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825275877 608217010 /nfs/dbraw/zinc/21/70/10/608217010.db2.gz FTKFJKCIXMEVFT-UHFFFAOYSA-N -1 3 397.458 3.032 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000824477631 608217167 /nfs/dbraw/zinc/21/71/67/608217167.db2.gz BDXDDEBDAUWPSE-HNNXBMFYSA-N -1 3 399.458 3.218 20 0 GGADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000824477631 608217169 /nfs/dbraw/zinc/21/71/69/608217169.db2.gz BDXDDEBDAUWPSE-HNNXBMFYSA-N -1 3 399.458 3.218 20 0 GGADHM CCN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000825371158 608219742 /nfs/dbraw/zinc/21/97/42/608219742.db2.gz CRCWTYFXZUCKHF-ZDUSSCGKSA-N -1 3 391.435 3.030 20 0 GGADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000825371158 608219743 /nfs/dbraw/zinc/21/97/43/608219743.db2.gz CRCWTYFXZUCKHF-ZDUSSCGKSA-N -1 3 391.435 3.030 20 0 GGADHM COc1cc(C)c(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826178304 608222051 /nfs/dbraw/zinc/22/20/51/608222051.db2.gz RWPQDULNROLEMI-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM COc1cc(C)c(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826178304 608222053 /nfs/dbraw/zinc/22/20/53/608222053.db2.gz RWPQDULNROLEMI-UHFFFAOYSA-N -1 3 390.447 3.377 20 0 GGADHM Fc1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)ccc1-n1ccnc1 ZINC000826372120 608225658 /nfs/dbraw/zinc/22/56/58/608225658.db2.gz IOUNMSZYDSYUOD-UHFFFAOYSA-N -1 3 386.394 3.352 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824104634 608225802 /nfs/dbraw/zinc/22/58/02/608225802.db2.gz VWBNANNTHJIHOX-HNNXBMFYSA-N -1 3 395.467 3.226 20 0 GGADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824104634 608225804 /nfs/dbraw/zinc/22/58/04/608225804.db2.gz VWBNANNTHJIHOX-HNNXBMFYSA-N -1 3 395.467 3.226 20 0 GGADHM COc1cccc(N2CC[C@@H](Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)c1 ZINC000826216831 608226722 /nfs/dbraw/zinc/22/67/22/608226722.db2.gz PNMYJGFPJCIJND-MRXNPFEDSA-N -1 3 387.447 3.114 20 0 GGADHM COc1cccc(N2CC[C@@H](Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)c1 ZINC000826216831 608226724 /nfs/dbraw/zinc/22/67/24/608226724.db2.gz PNMYJGFPJCIJND-MRXNPFEDSA-N -1 3 387.447 3.114 20 0 GGADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2c(c1)CC(=O)N2C ZINC000824657920 608226767 /nfs/dbraw/zinc/22/67/67/608226767.db2.gz SNQPEVADITZIEL-GFCCVEGCSA-N -1 3 385.431 3.107 20 0 GGADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2c(c1)CC(=O)N2C ZINC000824657920 608226769 /nfs/dbraw/zinc/22/67/69/608226769.db2.gz SNQPEVADITZIEL-GFCCVEGCSA-N -1 3 385.431 3.107 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)[C@H](c1ccccc1)C1CC1 ZINC000826439006 608227813 /nfs/dbraw/zinc/22/78/13/608227813.db2.gz ASVCKLGXLWTLEE-LJQANCHMSA-N -1 3 393.516 3.410 20 0 GGADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)[C@H](c1ccccc1)C1CC1 ZINC000826439006 608227814 /nfs/dbraw/zinc/22/78/14/608227814.db2.gz ASVCKLGXLWTLEE-LJQANCHMSA-N -1 3 393.516 3.410 20 0 GGADHM CN(C)[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1c(F)cccc1F ZINC000825849248 608228562 /nfs/dbraw/zinc/22/85/62/608228562.db2.gz IXQUBAQGDGVDII-KRWDZBQOSA-N -1 3 395.417 3.408 20 0 GGADHM CN(C)[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1c(F)cccc1F ZINC000825849248 608228564 /nfs/dbraw/zinc/22/85/64/608228564.db2.gz IXQUBAQGDGVDII-KRWDZBQOSA-N -1 3 395.417 3.408 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824100534 608232895 /nfs/dbraw/zinc/23/28/95/608232895.db2.gz UAWBQOSYLJUNPR-AWEZNQCLSA-N -1 3 394.479 3.363 20 0 GGADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000824100534 608232897 /nfs/dbraw/zinc/23/28/97/608232897.db2.gz UAWBQOSYLJUNPR-AWEZNQCLSA-N -1 3 394.479 3.363 20 0 GGADHM Fc1cccc([C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c2ccccn2)c1 ZINC000826376378 608234047 /nfs/dbraw/zinc/23/40/47/608234047.db2.gz BARAERYFPLEMQY-IBGZPJMESA-N -1 3 387.422 3.486 20 0 GGADHM Fc1cccc([C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c2ccccn2)c1 ZINC000826376378 608234049 /nfs/dbraw/zinc/23/40/49/608234049.db2.gz BARAERYFPLEMQY-IBGZPJMESA-N -1 3 387.422 3.486 20 0 GGADHM Cn1cc(-c2ccccc2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cn1 ZINC000826356315 608235188 /nfs/dbraw/zinc/23/51/88/608235188.db2.gz LCJADCZVHXGIET-UHFFFAOYSA-N -1 3 382.431 3.428 20 0 GGADHM Cn1cc(-c2ccccc2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cn1 ZINC000826356315 608235190 /nfs/dbraw/zinc/23/51/90/608235190.db2.gz LCJADCZVHXGIET-UHFFFAOYSA-N -1 3 382.431 3.428 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccccn2)c1 ZINC000826296780 608236874 /nfs/dbraw/zinc/23/68/74/608236874.db2.gz IUWLVOFUIUBSDU-HXUWFJFHSA-N -1 3 399.458 3.159 20 0 GGADHM Cc1cccc([C@@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000826296780 608236876 /nfs/dbraw/zinc/23/68/76/608236876.db2.gz IUWLVOFUIUBSDU-HXUWFJFHSA-N -1 3 399.458 3.159 20 0 GGADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccnc(OC2CCCCC2)c1 ZINC000826440670 608237070 /nfs/dbraw/zinc/23/70/70/608237070.db2.gz WGPYVWWFNXNNHS-UHFFFAOYSA-N -1 3 396.426 3.042 20 0 GGADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccnc(OC2CCCCC2)c1 ZINC000826440670 608237072 /nfs/dbraw/zinc/23/70/72/608237072.db2.gz WGPYVWWFNXNNHS-UHFFFAOYSA-N -1 3 396.426 3.042 20 0 GGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826189852 608239123 /nfs/dbraw/zinc/23/91/23/608239123.db2.gz HAWPSXAQTRMYIC-DJJJIMSYSA-N -1 3 394.479 3.337 20 0 GGADHM COc1ccc([C@@H](OC)[C@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826189852 608239124 /nfs/dbraw/zinc/23/91/24/608239124.db2.gz HAWPSXAQTRMYIC-DJJJIMSYSA-N -1 3 394.479 3.337 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000825971531 608241038 /nfs/dbraw/zinc/24/10/38/608241038.db2.gz KIFVXYNCIWJZAO-UHFFFAOYSA-N -1 3 399.524 3.005 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000825971531 608241041 /nfs/dbraw/zinc/24/10/41/608241041.db2.gz KIFVXYNCIWJZAO-UHFFFAOYSA-N -1 3 399.524 3.005 20 0 GGADHM Fc1ccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(-c2nnn[n-]2)c1 ZINC000826375249 608243688 /nfs/dbraw/zinc/24/36/88/608243688.db2.gz FMTBVPYMCNVSRI-GFCCVEGCSA-N -1 3 394.332 3.077 20 0 GGADHM Fc1ccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(-c2nn[n-]n2)c1 ZINC000826375249 608243690 /nfs/dbraw/zinc/24/36/90/608243690.db2.gz FMTBVPYMCNVSRI-GFCCVEGCSA-N -1 3 394.332 3.077 20 0 GGADHM CCCn1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825361099 608244368 /nfs/dbraw/zinc/24/43/68/608244368.db2.gz BXAHHYIVSGVVLA-UHFFFAOYSA-N -1 3 395.467 3.390 20 0 GGADHM CCCn1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825361099 608244369 /nfs/dbraw/zinc/24/43/69/608244369.db2.gz BXAHHYIVSGVVLA-UHFFFAOYSA-N -1 3 395.467 3.390 20 0 GGADHM CCn1c(NC(=O)C=Cc2ccc3[nH]ccc3c2)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825787751 608244412 /nfs/dbraw/zinc/24/44/12/608244412.db2.gz KLUVIPLKISYEAL-YWEYNIOJSA-N -1 3 398.430 3.370 20 0 GGADHM CCn1c(NC(=O)C=Cc2ccc3[nH]ccc3c2)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825787751 608244413 /nfs/dbraw/zinc/24/44/13/608244413.db2.gz KLUVIPLKISYEAL-YWEYNIOJSA-N -1 3 398.430 3.370 20 0 GGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824447893 608247688 /nfs/dbraw/zinc/24/76/88/608247688.db2.gz DBOLJXPQHAVJTL-IQCBXXCUSA-N -1 3 389.415 3.372 20 0 GGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824447893 608247689 /nfs/dbraw/zinc/24/76/89/608247689.db2.gz DBOLJXPQHAVJTL-IQCBXXCUSA-N -1 3 389.415 3.372 20 0 GGADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)nc1Cl ZINC000826467079 608252978 /nfs/dbraw/zinc/25/29/78/608252978.db2.gz GNWYIQWLCWVAQE-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)nc1Cl ZINC000826467079 608252981 /nfs/dbraw/zinc/25/29/81/608252981.db2.gz GNWYIQWLCWVAQE-UHFFFAOYSA-N -1 3 383.717 3.291 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccnc(SC)c1 ZINC000825319189 608256291 /nfs/dbraw/zinc/25/62/91/608256291.db2.gz ZYRQMPAIUNRPDL-UHFFFAOYSA-N -1 3 397.508 3.105 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccnc(SC)c1 ZINC000825319189 608256292 /nfs/dbraw/zinc/25/62/92/608256292.db2.gz ZYRQMPAIUNRPDL-UHFFFAOYSA-N -1 3 397.508 3.105 20 0 GGADHM Cc1sc(NC(=O)c2cn(C)nc2-c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826350279 608259251 /nfs/dbraw/zinc/25/92/51/608259251.db2.gz PGBKJORJLSWEEF-UHFFFAOYSA-N -1 3 379.449 3.198 20 0 GGADHM Cc1sc(NC(=O)c2cn(C)nc2-c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826350279 608259253 /nfs/dbraw/zinc/25/92/53/608259253.db2.gz PGBKJORJLSWEEF-UHFFFAOYSA-N -1 3 379.449 3.198 20 0 GGADHM O=C(C=C1CCSCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826400075 608260845 /nfs/dbraw/zinc/26/08/45/608260845.db2.gz OELLKOPQWNKNAJ-UHFFFAOYSA-N -1 3 394.460 3.446 20 0 GGADHM O=C(C=C1CCSCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826400075 608260847 /nfs/dbraw/zinc/26/08/47/608260847.db2.gz OELLKOPQWNKNAJ-UHFFFAOYSA-N -1 3 394.460 3.446 20 0 GGADHM CCc1cc(=O)oc2cc(OCc3ccc(-c4nnn[n-]4)cc3OC)ccc12 ZINC000825694582 608262367 /nfs/dbraw/zinc/26/23/67/608262367.db2.gz VDCLKYDWPNHNJU-UHFFFAOYSA-N -1 3 378.388 3.123 20 0 GGADHM CCc1cc(=O)oc2cc(OCc3ccc(-c4nn[n-]n4)cc3OC)ccc12 ZINC000825694582 608262370 /nfs/dbraw/zinc/26/23/70/608262370.db2.gz VDCLKYDWPNHNJU-UHFFFAOYSA-N -1 3 378.388 3.123 20 0 GGADHM CC(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000824215015 608263504 /nfs/dbraw/zinc/26/35/04/608263504.db2.gz JKZKBJKDNBYXBY-FZMZJTMJSA-N -1 3 398.389 3.211 20 0 GGADHM CC(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000824215015 608263505 /nfs/dbraw/zinc/26/35/05/608263505.db2.gz JKZKBJKDNBYXBY-FZMZJTMJSA-N -1 3 398.389 3.211 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCCc2c(C)cccc21 ZINC000826305470 608269921 /nfs/dbraw/zinc/26/99/21/608269921.db2.gz XTGGUIYHDMIOGF-UHFFFAOYSA-N -1 3 386.463 3.152 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCCc2c(C)cccc21 ZINC000826305470 608269922 /nfs/dbraw/zinc/26/99/22/608269922.db2.gz XTGGUIYHDMIOGF-UHFFFAOYSA-N -1 3 386.463 3.152 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC000826241902 608270283 /nfs/dbraw/zinc/27/02/83/608270283.db2.gz SSWVPNNSKSVSKH-YJBOKZPZSA-N -1 3 378.436 3.074 20 0 GGADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC000826241902 608270285 /nfs/dbraw/zinc/27/02/85/608270285.db2.gz SSWVPNNSKSVSKH-YJBOKZPZSA-N -1 3 378.436 3.074 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(COCC(F)(F)F)cc2)n1 ZINC000826276846 608271508 /nfs/dbraw/zinc/27/15/08/608271508.db2.gz ZZSJILSJKVUYKP-UHFFFAOYSA-N -1 3 378.358 3.261 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(COCC(F)(F)F)cc2)n1 ZINC000826276846 608271509 /nfs/dbraw/zinc/27/15/09/608271509.db2.gz ZZSJILSJKVUYKP-UHFFFAOYSA-N -1 3 378.358 3.261 20 0 GGADHM CN(C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825812796 608274050 /nfs/dbraw/zinc/27/40/50/608274050.db2.gz UPQKSLBFBYJOEV-OAHLLOKOSA-N -1 3 392.246 3.260 20 0 GGADHM CN(C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825812796 608274051 /nfs/dbraw/zinc/27/40/51/608274051.db2.gz UPQKSLBFBYJOEV-OAHLLOKOSA-N -1 3 392.246 3.260 20 0 GGADHM CCC(=O)Nc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000825034019 608275581 /nfs/dbraw/zinc/27/55/81/608275581.db2.gz CPPHYOOSKROCFD-UHFFFAOYSA-N -1 3 377.452 3.101 20 0 GGADHM CCC(=O)Nc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000825034019 608275582 /nfs/dbraw/zinc/27/55/82/608275582.db2.gz CPPHYOOSKROCFD-UHFFFAOYSA-N -1 3 377.452 3.101 20 0 GGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)c2)n1 ZINC000826320482 608276866 /nfs/dbraw/zinc/27/68/66/608276866.db2.gz SAHLCGOIHRXDCQ-UHFFFAOYSA-N -1 3 395.810 3.439 20 0 GGADHM Cc1coc(-c2ccc(C)c(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)c2)n1 ZINC000826320482 608276867 /nfs/dbraw/zinc/27/68/67/608276867.db2.gz SAHLCGOIHRXDCQ-UHFFFAOYSA-N -1 3 395.810 3.439 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)c(NCC2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000826276148 608277375 /nfs/dbraw/zinc/27/73/75/608277375.db2.gz WHXFLLQGAJSKBX-UHFFFAOYSA-N -1 3 384.871 3.384 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)c(NCC2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000826276148 608277377 /nfs/dbraw/zinc/27/73/77/608277377.db2.gz WHXFLLQGAJSKBX-UHFFFAOYSA-N -1 3 384.871 3.384 20 0 GGADHM CC(C)Oc1cccc([C@H](O)CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000824334227 608287140 /nfs/dbraw/zinc/28/71/40/608287140.db2.gz SGNOPPAWRQFAFA-LJQANCHMSA-N -1 3 394.479 3.073 20 0 GGADHM CC(C)Oc1cccc([C@H](O)CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000824334227 608287142 /nfs/dbraw/zinc/28/71/42/608287142.db2.gz SGNOPPAWRQFAFA-LJQANCHMSA-N -1 3 394.479 3.073 20 0 GGADHM Cc1ccsc1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826316132 608290026 /nfs/dbraw/zinc/29/00/26/608290026.db2.gz DQVOYKDEAIELRD-UHFFFAOYSA-N -1 3 378.914 3.419 20 0 GGADHM Cc1ccsc1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826316132 608290027 /nfs/dbraw/zinc/29/00/27/608290027.db2.gz DQVOYKDEAIELRD-UHFFFAOYSA-N -1 3 378.914 3.419 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1c(F)cccc1Cl ZINC000826503717 608290102 /nfs/dbraw/zinc/29/01/02/608290102.db2.gz DHDKZDNVBKDJHX-OAHLLOKOSA-N -1 3 388.834 3.079 20 0 GGADHM O[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1c(F)cccc1Cl ZINC000826503717 608290103 /nfs/dbraw/zinc/29/01/03/608290103.db2.gz DHDKZDNVBKDJHX-OAHLLOKOSA-N -1 3 388.834 3.079 20 0 GGADHM COc1ccccc1O[C@H](C)CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826220116 608292323 /nfs/dbraw/zinc/29/23/23/608292323.db2.gz CLONZAPWSJOSMJ-CYBMUJFWSA-N -1 3 380.452 3.029 20 0 GGADHM COc1ccccc1O[C@H](C)CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826220116 608292325 /nfs/dbraw/zinc/29/23/25/608292325.db2.gz CLONZAPWSJOSMJ-CYBMUJFWSA-N -1 3 380.452 3.029 20 0 GGADHM Nc1nc(Cl)cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826396395 608295392 /nfs/dbraw/zinc/29/53/92/608295392.db2.gz VWDPKLWANSFSDG-UHFFFAOYSA-N -1 3 378.827 3.171 20 0 GGADHM Nc1nc(Cl)cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826396395 608295393 /nfs/dbraw/zinc/29/53/93/608295393.db2.gz VWDPKLWANSFSDG-UHFFFAOYSA-N -1 3 378.827 3.171 20 0 GGADHM CCCN1C(=O)CCc2cc(Nc3ncc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000825328970 608297775 /nfs/dbraw/zinc/29/77/75/608297775.db2.gz ZHKVSDDTMWJXQZ-UHFFFAOYSA-N -1 3 383.843 3.348 20 0 GGADHM CCCN1C(=O)CCc2cc(Nc3ncc(-c4nn[n-]n4)cc3Cl)ccc21 ZINC000825328970 608297777 /nfs/dbraw/zinc/29/77/77/608297777.db2.gz ZHKVSDDTMWJXQZ-UHFFFAOYSA-N -1 3 383.843 3.348 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)OCC(F)(F)F ZINC000826441218 608302089 /nfs/dbraw/zinc/30/20/89/608302089.db2.gz UOOJVZXKPUBIOK-UHFFFAOYSA-N -1 3 377.326 3.322 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)OCC(F)(F)F ZINC000826441218 608302091 /nfs/dbraw/zinc/30/20/91/608302091.db2.gz UOOJVZXKPUBIOK-UHFFFAOYSA-N -1 3 377.326 3.322 20 0 GGADHM O=C(/C=C/C1CCOCC1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826400123 608305665 /nfs/dbraw/zinc/30/56/65/608305665.db2.gz QDWXCQDRUKXPML-JXMROGBWSA-N -1 3 389.459 3.133 20 0 GGADHM O=C(/C=C/C1CCOCC1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826400123 608305668 /nfs/dbraw/zinc/30/56/68/608305668.db2.gz QDWXCQDRUKXPML-JXMROGBWSA-N -1 3 389.459 3.133 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000826241442 608307990 /nfs/dbraw/zinc/30/79/90/608307990.db2.gz DDXBGXPTZVDUAW-UHFFFAOYSA-N -1 3 398.471 3.459 20 0 GGADHM Cc1c(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000826241442 608307992 /nfs/dbraw/zinc/30/79/92/608307992.db2.gz DDXBGXPTZVDUAW-UHFFFAOYSA-N -1 3 398.471 3.459 20 0 GGADHM CN(C(=O)C(F)(F)c1ccccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812724 608308958 /nfs/dbraw/zinc/30/89/58/608308958.db2.gz RURUWELJQHYNLT-UHFFFAOYSA-N -1 3 381.745 3.414 20 0 GGADHM CN(C(=O)C(F)(F)c1ccccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812724 608308961 /nfs/dbraw/zinc/30/89/61/608308961.db2.gz RURUWELJQHYNLT-UHFFFAOYSA-N -1 3 381.745 3.414 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824499081 608312731 /nfs/dbraw/zinc/31/27/31/608312731.db2.gz NLRYVCYYCZCBFF-KZULUSFZSA-N -1 3 380.427 3.444 20 0 GGADHM C[C@@H](NC(=O)N[C@@H]1CCCc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824499081 608312733 /nfs/dbraw/zinc/31/27/33/608312733.db2.gz NLRYVCYYCZCBFF-KZULUSFZSA-N -1 3 380.427 3.444 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC[C@@H]1C ZINC000824947915 608312874 /nfs/dbraw/zinc/31/28/74/608312874.db2.gz RPEWPPIJQFDZJX-KBPBESRZSA-N -1 3 381.436 3.157 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC[C@@H]1C ZINC000824947915 608312877 /nfs/dbraw/zinc/31/28/77/608312877.db2.gz RPEWPPIJQFDZJX-KBPBESRZSA-N -1 3 381.436 3.157 20 0 GGADHM C[C@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C[C@H]1C ZINC000824946761 608313184 /nfs/dbraw/zinc/31/31/84/608313184.db2.gz KJOVPNMQNYVUEH-UONOGXRCSA-N -1 3 381.436 3.157 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000826254318 608313473 /nfs/dbraw/zinc/31/34/73/608313473.db2.gz FYRCCPKZDBNYRS-LJQANCHMSA-N -1 3 378.432 3.426 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000826254318 608313475 /nfs/dbraw/zinc/31/34/75/608313475.db2.gz FYRCCPKZDBNYRS-LJQANCHMSA-N -1 3 378.432 3.426 20 0 GGADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826419904 608315612 /nfs/dbraw/zinc/31/56/12/608315612.db2.gz QHKPEFHNZCAABF-GOSISDBHSA-N -1 3 397.479 3.433 20 0 GGADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826419904 608315614 /nfs/dbraw/zinc/31/56/14/608315614.db2.gz QHKPEFHNZCAABF-GOSISDBHSA-N -1 3 397.479 3.433 20 0 GGADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC)c(Br)c1 ZINC000826210364 608321469 /nfs/dbraw/zinc/32/14/69/608321469.db2.gz OJQQHZZATSZPNJ-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC)c(Br)c1 ZINC000826210364 608321470 /nfs/dbraw/zinc/32/14/70/608321470.db2.gz OJQQHZZATSZPNJ-UHFFFAOYSA-N -1 3 390.241 3.259 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(Cc2ccccc2)no1 ZINC000826173372 608322486 /nfs/dbraw/zinc/32/24/86/608322486.db2.gz AQQWYXQSPQHGII-UHFFFAOYSA-N -1 3 394.460 3.283 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(Cc2ccccc2)no1 ZINC000826173372 608322488 /nfs/dbraw/zinc/32/24/88/608322488.db2.gz AQQWYXQSPQHGII-UHFFFAOYSA-N -1 3 394.460 3.283 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(-c2ccc(F)cc2)no1 ZINC000826173825 608323125 /nfs/dbraw/zinc/32/31/25/608323125.db2.gz WNSOUOGXULKIHQ-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(-c2ccc(F)cc2)no1 ZINC000826173825 608323127 /nfs/dbraw/zinc/32/31/27/608323127.db2.gz WNSOUOGXULKIHQ-UHFFFAOYSA-N -1 3 398.423 3.498 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(OCC(F)(F)F)cc1 ZINC000826172894 608325522 /nfs/dbraw/zinc/32/55/22/608325522.db2.gz CHSDPKFOLLQSDR-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(OCC(F)(F)F)cc1 ZINC000826172894 608325523 /nfs/dbraw/zinc/32/55/23/608325523.db2.gz CHSDPKFOLLQSDR-UHFFFAOYSA-N -1 3 380.326 3.395 20 0 GGADHM O=C(C=Cc1cccnc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826403686 608327996 /nfs/dbraw/zinc/32/79/96/608327996.db2.gz ZEDUMVYNOISZQF-XFXZXTDPSA-N -1 3 382.427 3.258 20 0 GGADHM O=C(C=Cc1cccnc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826403686 608327998 /nfs/dbraw/zinc/32/79/98/608327998.db2.gz ZEDUMVYNOISZQF-XFXZXTDPSA-N -1 3 382.427 3.258 20 0 GGADHM COc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1OCC(C)C ZINC000826177600 608331815 /nfs/dbraw/zinc/33/18/15/608331815.db2.gz OGMSPBWXLYAHGH-UHFFFAOYSA-N -1 3 382.420 3.267 20 0 GGADHM COc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1OCC(C)C ZINC000826177600 608331816 /nfs/dbraw/zinc/33/18/16/608331816.db2.gz OGMSPBWXLYAHGH-UHFFFAOYSA-N -1 3 382.420 3.267 20 0 GGADHM Cc1ccncc1[C@H](C)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826315916 608334199 /nfs/dbraw/zinc/33/41/99/608334199.db2.gz YKZKSCHLIFRIQR-HNNXBMFYSA-N -1 3 381.436 3.424 20 0 GGADHM Cc1ccncc1[C@H](C)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826315916 608334201 /nfs/dbraw/zinc/33/42/01/608334201.db2.gz YKZKSCHLIFRIQR-HNNXBMFYSA-N -1 3 381.436 3.424 20 0 GGADHM Cc1ccncc1[C@@H](C)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826315494 608334237 /nfs/dbraw/zinc/33/42/37/608334237.db2.gz LIFXJOPPKWLJTQ-RDTXWAMCSA-N -1 3 381.436 3.278 20 0 GGADHM Cc1ccncc1[C@@H](C)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826315494 608334240 /nfs/dbraw/zinc/33/42/40/608334240.db2.gz LIFXJOPPKWLJTQ-RDTXWAMCSA-N -1 3 381.436 3.278 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826452122 608338289 /nfs/dbraw/zinc/33/82/89/608338289.db2.gz IGSNMQNDDLOLNB-CHWSQXEVSA-N -1 3 390.875 3.191 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826452122 608338290 /nfs/dbraw/zinc/33/82/90/608338290.db2.gz IGSNMQNDDLOLNB-CHWSQXEVSA-N -1 3 390.875 3.191 20 0 GGADHM CCN(C(=O)COc1cc(C)ccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371208 608341759 /nfs/dbraw/zinc/34/17/59/608341759.db2.gz DTDOGKMVQQWVLB-UHFFFAOYSA-N -1 3 389.818 3.400 20 0 GGADHM CCN(C(=O)COc1cc(C)ccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371208 608341761 /nfs/dbraw/zinc/34/17/61/608341761.db2.gz DTDOGKMVQQWVLB-UHFFFAOYSA-N -1 3 389.818 3.400 20 0 GGADHM CCN(C(=O)[C@H]1Oc2ccccc2O[C@H]1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366718 608341886 /nfs/dbraw/zinc/34/18/86/608341886.db2.gz FHHFGRJWCVZGER-GTNSWQLSSA-N -1 3 399.838 3.102 20 0 GGADHM CCN(C(=O)[C@H]1Oc2ccccc2O[C@H]1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366718 608341888 /nfs/dbraw/zinc/34/18/88/608341888.db2.gz FHHFGRJWCVZGER-GTNSWQLSSA-N -1 3 399.838 3.102 20 0 GGADHM CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372131 608343573 /nfs/dbraw/zinc/34/35/73/608343573.db2.gz QXXACKSKPDJOND-TZMCWYRMSA-N -1 3 377.876 3.468 20 0 GGADHM CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372131 608343575 /nfs/dbraw/zinc/34/35/75/608343575.db2.gz QXXACKSKPDJOND-TZMCWYRMSA-N -1 3 377.876 3.468 20 0 GGADHM CCN(C(=O)[C@H]1Cc2cc(C)c(C)cc2O1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367461 608343698 /nfs/dbraw/zinc/34/36/98/608343698.db2.gz QJYVGCXTNLAKTK-GOSISDBHSA-N -1 3 397.866 3.494 20 0 GGADHM CCN(C(=O)[C@H]1Cc2cc(C)c(C)cc2O1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367461 608343701 /nfs/dbraw/zinc/34/37/01/608343701.db2.gz QJYVGCXTNLAKTK-GOSISDBHSA-N -1 3 397.866 3.494 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000826171298 608343778 /nfs/dbraw/zinc/34/37/78/608343778.db2.gz JADFMNASNZOLHT-UHFFFAOYSA-N -1 3 391.431 3.423 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000826171298 608343780 /nfs/dbraw/zinc/34/37/80/608343780.db2.gz JADFMNASNZOLHT-UHFFFAOYSA-N -1 3 391.431 3.423 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000826172086 608345379 /nfs/dbraw/zinc/34/53/79/608345379.db2.gz MVJRNACCQYVOIN-UHFFFAOYSA-N -1 3 392.337 3.180 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000826172086 608345381 /nfs/dbraw/zinc/34/53/81/608345381.db2.gz MVJRNACCQYVOIN-UHFFFAOYSA-N -1 3 392.337 3.180 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000826170770 608346807 /nfs/dbraw/zinc/34/68/07/608346807.db2.gz OZOCCLNTXJKATP-NSHDSACASA-N -1 3 388.811 3.039 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000826170770 608346809 /nfs/dbraw/zinc/34/68/09/608346809.db2.gz OZOCCLNTXJKATP-NSHDSACASA-N -1 3 388.811 3.039 20 0 GGADHM CCN(C(=O)c1sc(COC)nc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391426 608347089 /nfs/dbraw/zinc/34/70/89/608347089.db2.gz ZIQUZMHNHVABPF-UHFFFAOYSA-N -1 3 392.872 3.098 20 0 GGADHM CCN(C(=O)c1sc(COC)nc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391426 608347090 /nfs/dbraw/zinc/34/70/90/608347090.db2.gz ZIQUZMHNHVABPF-UHFFFAOYSA-N -1 3 392.872 3.098 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000826172829 608348709 /nfs/dbraw/zinc/34/87/09/608348709.db2.gz ZIXAXOXPDPALCX-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000826172829 608348710 /nfs/dbraw/zinc/34/87/10/608348710.db2.gz ZIXAXOXPDPALCX-UHFFFAOYSA-N -1 3 393.428 3.356 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000826172005 608350982 /nfs/dbraw/zinc/35/09/82/608350982.db2.gz IPQIUNLDUKARAS-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000826172005 608350984 /nfs/dbraw/zinc/35/09/84/608350984.db2.gz IPQIUNLDUKARAS-UHFFFAOYSA-N -1 3 397.822 3.296 20 0 GGADHM C[C@@H]1CSCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825012039 608355796 /nfs/dbraw/zinc/35/57/96/608355796.db2.gz CRUOGQOXULTLCH-CQSZACIVSA-N -1 3 394.504 3.181 20 0 GGADHM C[C@@H]1CSCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825012039 608355798 /nfs/dbraw/zinc/35/57/98/608355798.db2.gz CRUOGQOXULTLCH-CQSZACIVSA-N -1 3 394.504 3.181 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824874322 608356343 /nfs/dbraw/zinc/35/63/43/608356343.db2.gz BZJJCJVPPMBQKY-HUUCEWRRSA-N -1 3 376.464 3.474 20 0 GGADHM C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824874322 608356345 /nfs/dbraw/zinc/35/63/45/608356345.db2.gz BZJJCJVPPMBQKY-HUUCEWRRSA-N -1 3 376.464 3.474 20 0 GGADHM COCCC(C)(C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826153723 608358872 /nfs/dbraw/zinc/35/88/72/608358872.db2.gz XUFLCRINNKFKGB-UHFFFAOYSA-N -1 3 394.479 3.148 20 0 GGADHM COCCC(C)(C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826153723 608358874 /nfs/dbraw/zinc/35/88/74/608358874.db2.gz XUFLCRINNKFKGB-UHFFFAOYSA-N -1 3 394.479 3.148 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826440835 608359046 /nfs/dbraw/zinc/35/90/46/608359046.db2.gz CGINPGYCMUYXOO-SFHVURJKSA-N -1 3 388.475 3.475 20 0 GGADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826440835 608359048 /nfs/dbraw/zinc/35/90/48/608359048.db2.gz CGINPGYCMUYXOO-SFHVURJKSA-N -1 3 388.475 3.475 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826171350 608360012 /nfs/dbraw/zinc/36/00/12/608360012.db2.gz KKXNLLBKEIOGME-ZIAGYGMSSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826171350 608360014 /nfs/dbraw/zinc/36/00/14/608360014.db2.gz KKXNLLBKEIOGME-ZIAGYGMSSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826171307 608360167 /nfs/dbraw/zinc/36/01/67/608360167.db2.gz JICJXCDXRUOAAL-DZGCQCFKSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826171307 608360169 /nfs/dbraw/zinc/36/01/69/608360169.db2.gz JICJXCDXRUOAAL-DZGCQCFKSA-N -1 3 386.358 3.000 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000826172405 608364216 /nfs/dbraw/zinc/36/42/16/608364216.db2.gz DJKREBGNTGNICU-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000826172405 608364218 /nfs/dbraw/zinc/36/42/18/608364218.db2.gz DJKREBGNTGNICU-UHFFFAOYSA-N -1 3 395.806 3.434 20 0 GGADHM O=C(Nc1ccccc1)NC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826457272 608374971 /nfs/dbraw/zinc/37/49/71/608374971.db2.gz UPMZDNPZLDSTAM-UHFFFAOYSA-N -1 3 397.870 3.311 20 0 GGADHM O=C(Nc1ccccc1)NC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826457272 608374973 /nfs/dbraw/zinc/37/49/73/608374973.db2.gz UPMZDNPZLDSTAM-UHFFFAOYSA-N -1 3 397.870 3.311 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000826172777 608379428 /nfs/dbraw/zinc/37/94/28/608379428.db2.gz WSQOGDUKKBEVTC-QGZVFWFLSA-N -1 3 394.431 3.126 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000826172777 608379430 /nfs/dbraw/zinc/37/94/30/608379430.db2.gz WSQOGDUKKBEVTC-QGZVFWFLSA-N -1 3 394.431 3.126 20 0 GGADHM Clc1cc(N2CCN(c3ccc4ccccc4n3)CC2)ccc1-c1nnn[n-]1 ZINC000826350764 608381517 /nfs/dbraw/zinc/38/15/17/608381517.db2.gz KDVRHHRWAMQJJJ-UHFFFAOYSA-N -1 3 391.866 3.395 20 0 GGADHM Clc1cc(N2CCN(c3ccc4ccccc4n3)CC2)ccc1-c1nn[n-]n1 ZINC000826350764 608381518 /nfs/dbraw/zinc/38/15/18/608381518.db2.gz KDVRHHRWAMQJJJ-UHFFFAOYSA-N -1 3 391.866 3.395 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823968029 608381814 /nfs/dbraw/zinc/38/18/14/608381814.db2.gz TZWNOFNBIUEEBH-ZDUSSCGKSA-N -1 3 379.420 3.065 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823968029 608381815 /nfs/dbraw/zinc/38/18/15/608381815.db2.gz TZWNOFNBIUEEBH-ZDUSSCGKSA-N -1 3 379.420 3.065 20 0 GGADHM CC(C)Cn1ncc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1C(C)C ZINC000824285034 608383076 /nfs/dbraw/zinc/38/30/76/608383076.db2.gz ULIFEUJAAOPMHW-UHFFFAOYSA-N -1 3 388.863 3.143 20 0 GGADHM CC(C)Cn1ncc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1C(C)C ZINC000824285034 608383078 /nfs/dbraw/zinc/38/30/78/608383078.db2.gz ULIFEUJAAOPMHW-UHFFFAOYSA-N -1 3 388.863 3.143 20 0 GGADHM CCc1nc(N)nc(SCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000825749635 608413285 /nfs/dbraw/zinc/41/32/85/608413285.db2.gz FFHPHMWOOWHOQN-UHFFFAOYSA-N -1 3 390.476 3.156 20 0 GGADHM CCc1nc(N)nc(SCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000825749635 608413287 /nfs/dbraw/zinc/41/32/87/608413287.db2.gz FFHPHMWOOWHOQN-UHFFFAOYSA-N -1 3 390.476 3.156 20 0 GGADHM CCSCC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825674702 608415518 /nfs/dbraw/zinc/41/55/18/608415518.db2.gz QSRZJPLPVXZERL-CQSZACIVSA-N -1 3 386.525 3.197 20 0 GGADHM CCSCC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825674702 608415520 /nfs/dbraw/zinc/41/55/20/608415520.db2.gz QSRZJPLPVXZERL-CQSZACIVSA-N -1 3 386.525 3.197 20 0 GGADHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(Cl)c1 ZINC000824633956 608421781 /nfs/dbraw/zinc/42/17/81/608421781.db2.gz SBKDXQCZXQBFMU-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(Cl)c1 ZINC000824633956 608421783 /nfs/dbraw/zinc/42/17/83/608421783.db2.gz SBKDXQCZXQBFMU-LLVKDONJSA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1c(F)cccc1F ZINC000824632981 608433364 /nfs/dbraw/zinc/43/33/64/608433364.db2.gz GCFHKJVAUVXNKJ-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1c(F)cccc1F ZINC000824632981 608433366 /nfs/dbraw/zinc/43/33/66/608433366.db2.gz GCFHKJVAUVXNKJ-JTQLQIEISA-N -1 3 383.362 3.046 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000826349663 608433962 /nfs/dbraw/zinc/43/39/62/608433962.db2.gz PHWRMTCKVZECMX-SECBINFHSA-N -1 3 392.435 3.113 20 0 GGADHM Cc1sc(NC(=O)CN[C@H](C)c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000826349663 608433964 /nfs/dbraw/zinc/43/39/64/608433964.db2.gz PHWRMTCKVZECMX-SECBINFHSA-N -1 3 392.435 3.113 20 0 GGADHM CCOc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1OCC ZINC000825632021 608436124 /nfs/dbraw/zinc/43/61/24/608436124.db2.gz JPJLFHATVOIFII-UHFFFAOYSA-N -1 3 386.383 3.160 20 0 GGADHM CCOc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1OCC ZINC000825632021 608436125 /nfs/dbraw/zinc/43/61/25/608436125.db2.gz JPJLFHATVOIFII-UHFFFAOYSA-N -1 3 386.383 3.160 20 0 GGADHM Cc1ccc([C@@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000826282848 608436748 /nfs/dbraw/zinc/43/67/48/608436748.db2.gz DIDCTJOXDOFITC-CQSZACIVSA-N -1 3 375.436 3.384 20 0 GGADHM Cc1ccc([C@@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000826282848 608436750 /nfs/dbraw/zinc/43/67/50/608436750.db2.gz DIDCTJOXDOFITC-CQSZACIVSA-N -1 3 375.436 3.384 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccnc1SC(F)F ZINC000826466420 608437212 /nfs/dbraw/zinc/43/72/12/608437212.db2.gz BRUPZKMSNZVLBD-UHFFFAOYSA-N -1 3 381.339 3.073 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccnc1SC(F)F ZINC000826466420 608437213 /nfs/dbraw/zinc/43/72/13/608437213.db2.gz BRUPZKMSNZVLBD-UHFFFAOYSA-N -1 3 381.339 3.073 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826331980 608437320 /nfs/dbraw/zinc/43/73/20/608437320.db2.gz GAEWTOOFTRGMQD-UHFFFAOYSA-N -1 3 392.394 3.165 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826331980 608437322 /nfs/dbraw/zinc/43/73/22/608437322.db2.gz GAEWTOOFTRGMQD-UHFFFAOYSA-N -1 3 392.394 3.165 20 0 GGADHM CCOc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825653312 608437987 /nfs/dbraw/zinc/43/79/87/608437987.db2.gz AFYAHFIIUUQCED-QWHCGFSZSA-N -1 3 398.467 3.153 20 0 GGADHM CC(C)(C)Oc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000824123590 608439340 /nfs/dbraw/zinc/43/93/40/608439340.db2.gz GZFKBFWFIPWNEU-UHFFFAOYSA-N -1 3 379.468 3.325 20 0 GGADHM CC(C)(C)Oc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)n1 ZINC000824123590 608439343 /nfs/dbraw/zinc/43/93/43/608439343.db2.gz GZFKBFWFIPWNEU-UHFFFAOYSA-N -1 3 379.468 3.325 20 0 GGADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(Br)ccc1F ZINC000826466081 608440434 /nfs/dbraw/zinc/44/04/34/608440434.db2.gz OGWMSLHDKCBIIQ-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(Br)ccc1F ZINC000826466081 608440436 /nfs/dbraw/zinc/44/04/36/608440436.db2.gz OGWMSLHDKCBIIQ-UHFFFAOYSA-N -1 3 395.163 3.264 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826341083 608443594 /nfs/dbraw/zinc/44/35/94/608443594.db2.gz VWPBHEOJPWHUND-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM Cc1oc(-c2cccs2)nc1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826341083 608443596 /nfs/dbraw/zinc/44/35/96/608443596.db2.gz VWPBHEOJPWHUND-UHFFFAOYSA-N -1 3 399.407 3.317 20 0 GGADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824072046 608447755 /nfs/dbraw/zinc/44/77/55/608447755.db2.gz RNZFYMGFTXFXHT-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824072046 608447757 /nfs/dbraw/zinc/44/77/57/608447757.db2.gz RNZFYMGFTXFXHT-UHFFFAOYSA-N -1 3 397.410 3.347 20 0 GGADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824392839 608449219 /nfs/dbraw/zinc/44/92/19/608449219.db2.gz OWVBLUGRYRCCIA-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824392839 608449220 /nfs/dbraw/zinc/44/92/20/608449220.db2.gz OWVBLUGRYRCCIA-NSHDSACASA-N -1 3 386.358 3.097 20 0 GGADHM CC[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1OC ZINC000825149438 608456599 /nfs/dbraw/zinc/45/65/99/608456599.db2.gz YJRZYULVCQULKM-INIZCTEOSA-N -1 3 391.435 3.166 20 0 GGADHM CC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1OC ZINC000825149438 608456601 /nfs/dbraw/zinc/45/66/01/608456601.db2.gz YJRZYULVCQULKM-INIZCTEOSA-N -1 3 391.435 3.166 20 0 GGADHM CCOc1ccccc1[C@H](CC)NCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825654166 608458354 /nfs/dbraw/zinc/45/83/54/608458354.db2.gz QCHPWFFIRBNQNO-AWEZNQCLSA-N -1 3 386.481 3.006 20 0 GGADHM C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824053124 608459227 /nfs/dbraw/zinc/45/92/27/608459227.db2.gz UZTZPNMIIAJBQH-AWEZNQCLSA-N -1 3 399.458 3.104 20 0 GGADHM Cc1ccccc1NC(=O)[C@@H](C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826307646 608462415 /nfs/dbraw/zinc/46/24/15/608462415.db2.gz QTNBKSMUNMWRTJ-MRXNPFEDSA-N -1 3 388.475 3.291 20 0 GGADHM CC(C)N(C(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCC1 ZINC000824284890 608465484 /nfs/dbraw/zinc/46/54/84/608465484.db2.gz RAZJOAGFTNAZGB-UHFFFAOYSA-N -1 3 394.523 3.135 20 0 GGADHM Fc1cccc2c1CN(Cc1ccc(-c3nnn[n-]3)cc1OC(F)F)CC2 ZINC000826377958 608469295 /nfs/dbraw/zinc/46/92/95/608469295.db2.gz OMVQNNDMGHOUTO-UHFFFAOYSA-N -1 3 375.354 3.166 20 0 GGADHM Fc1cccc2c1CN(Cc1ccc(-c3nn[n-]n3)cc1OC(F)F)CC2 ZINC000826377958 608469296 /nfs/dbraw/zinc/46/92/96/608469296.db2.gz OMVQNNDMGHOUTO-UHFFFAOYSA-N -1 3 375.354 3.166 20 0 GGADHM O=C(Nc1ccc(F)cc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826454703 608469776 /nfs/dbraw/zinc/46/97/76/608469776.db2.gz HXRDCIZYCOJYMI-UHFFFAOYSA-N -1 3 382.374 3.466 20 0 GGADHM O=C(Nc1ccc(F)cc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826454703 608469778 /nfs/dbraw/zinc/46/97/78/608469778.db2.gz HXRDCIZYCOJYMI-UHFFFAOYSA-N -1 3 382.374 3.466 20 0 GGADHM O=C(Nc1c(F)cccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826450357 608469808 /nfs/dbraw/zinc/46/98/08/608469808.db2.gz IJMAVYLVVCTKGM-UHFFFAOYSA-N -1 3 382.374 3.466 20 0 GGADHM O=C(Nc1c(F)cccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826450357 608469809 /nfs/dbraw/zinc/46/98/09/608469809.db2.gz IJMAVYLVVCTKGM-UHFFFAOYSA-N -1 3 382.374 3.466 20 0 GGADHM COc1cc(F)ccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826180628 608471246 /nfs/dbraw/zinc/47/12/46/608471246.db2.gz QALVRDYCCMUJOC-UHFFFAOYSA-N -1 3 394.410 3.336 20 0 GGADHM COc1cc(F)ccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826180628 608471247 /nfs/dbraw/zinc/47/12/47/608471247.db2.gz QALVRDYCCMUJOC-UHFFFAOYSA-N -1 3 394.410 3.336 20 0 GGADHM O=C(Nc1ccc2c(c1)CCO2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826455199 608471420 /nfs/dbraw/zinc/47/14/20/608471420.db2.gz DNRBOYRAMMQULL-UHFFFAOYSA-N -1 3 388.431 3.123 20 0 GGADHM O=C(Nc1ccc2c(c1)CCO2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826455199 608471421 /nfs/dbraw/zinc/47/14/21/608471421.db2.gz DNRBOYRAMMQULL-UHFFFAOYSA-N -1 3 388.431 3.123 20 0 GGADHM CC(C)c1cc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000824341806 608472283 /nfs/dbraw/zinc/47/22/83/608472283.db2.gz DELUWWSRRXUGRY-UHFFFAOYSA-N -1 3 379.424 3.299 20 0 GGADHM CC(C)c1cc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000824341806 608472285 /nfs/dbraw/zinc/47/22/85/608472285.db2.gz DELUWWSRRXUGRY-UHFFFAOYSA-N -1 3 379.424 3.299 20 0 GGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](CO)CC(C)C)cc1 ZINC000826255166 608472544 /nfs/dbraw/zinc/47/25/44/608472544.db2.gz OHPNHQCHTQFLNZ-KRWDZBQOSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](CO)CC(C)C)cc1 ZINC000826255166 608472545 /nfs/dbraw/zinc/47/25/45/608472545.db2.gz OHPNHQCHTQFLNZ-KRWDZBQOSA-N -1 3 395.463 3.104 20 0 GGADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCc1c(F)cccc1Cl ZINC000826335102 608475653 /nfs/dbraw/zinc/47/56/53/608475653.db2.gz YHYICRNWPKDXEG-UHFFFAOYSA-N -1 3 383.818 3.469 20 0 GGADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCc1c(F)cccc1Cl ZINC000826335102 608475654 /nfs/dbraw/zinc/47/56/54/608475654.db2.gz YHYICRNWPKDXEG-UHFFFAOYSA-N -1 3 383.818 3.469 20 0 GGADHM S=C(NCc1cccs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826512136 608476242 /nfs/dbraw/zinc/47/62/42/608476242.db2.gz PTZCEQJURDTEHB-UHFFFAOYSA-N -1 3 382.518 3.092 20 0 GGADHM S=C(NCc1cccs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826512136 608476243 /nfs/dbraw/zinc/47/62/43/608476243.db2.gz PTZCEQJURDTEHB-UHFFFAOYSA-N -1 3 382.518 3.092 20 0 GGADHM CC[C@@H](CSC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825128408 608477651 /nfs/dbraw/zinc/47/76/51/608477651.db2.gz TUGXCYRKLOFWAR-ZDUSSCGKSA-N -1 3 399.480 3.317 20 0 GGADHM C[C@H]1CCOCCN1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824962773 608477673 /nfs/dbraw/zinc/47/76/73/608477673.db2.gz YATGUEFZIBCNBK-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM C[C@H]1CCOCCN1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824962773 608477674 /nfs/dbraw/zinc/47/76/74/608477674.db2.gz YATGUEFZIBCNBK-AWEZNQCLSA-N -1 3 394.435 3.302 20 0 GGADHM O=C(NOC1CCCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826450129 608478446 /nfs/dbraw/zinc/47/84/46/608478446.db2.gz YAOXRIMZZCUSIG-UHFFFAOYSA-N -1 3 381.396 3.050 20 0 GGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000824040977 608479740 /nfs/dbraw/zinc/47/97/40/608479740.db2.gz WALPRKMDJDREJJ-AWEZNQCLSA-N -1 3 377.423 3.425 20 0 GGADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(F)c1 ZINC000824040977 608479741 /nfs/dbraw/zinc/47/97/41/608479741.db2.gz WALPRKMDJDREJJ-AWEZNQCLSA-N -1 3 377.423 3.425 20 0 GGADHM COc1cc(C)sc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826178793 608480459 /nfs/dbraw/zinc/48/04/59/608480459.db2.gz MVMHCJMFETXUKD-UHFFFAOYSA-N -1 3 381.461 3.175 20 0 GGADHM COc1cc(C)sc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826178793 608480461 /nfs/dbraw/zinc/48/04/61/608480461.db2.gz MVMHCJMFETXUKD-UHFFFAOYSA-N -1 3 381.461 3.175 20 0 GGADHM O=C([C@H]1C[C@H]1Cc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398171 608482084 /nfs/dbraw/zinc/48/20/84/608482084.db2.gz RHLNPRNRNDAWBE-RTWAWAEBSA-N -1 3 385.471 3.361 20 0 GGADHM O=C([C@H]1C[C@H]1Cc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398171 608482085 /nfs/dbraw/zinc/48/20/85/608482085.db2.gz RHLNPRNRNDAWBE-RTWAWAEBSA-N -1 3 385.471 3.361 20 0 GGADHM O=C(Cc1ccc2c(c1)CCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826422684 608482433 /nfs/dbraw/zinc/48/24/33/608482433.db2.gz IEGRWWJEZNSBFP-UHFFFAOYSA-N -1 3 385.471 3.214 20 0 GGADHM O=C(Cc1ccc2c(c1)CCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826422684 608482435 /nfs/dbraw/zinc/48/24/35/608482435.db2.gz IEGRWWJEZNSBFP-UHFFFAOYSA-N -1 3 385.471 3.214 20 0 GGADHM O=C(Cc1ccc(F)c(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826422638 608482779 /nfs/dbraw/zinc/48/27/79/608482779.db2.gz HAQCHPDHSLQRCL-UHFFFAOYSA-N -1 3 381.386 3.003 20 0 GGADHM O=C(Cc1ccc(F)c(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826422638 608482781 /nfs/dbraw/zinc/48/27/81/608482781.db2.gz HAQCHPDHSLQRCL-UHFFFAOYSA-N -1 3 381.386 3.003 20 0 GGADHM COc1ccc(Cl)cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826208524 608483084 /nfs/dbraw/zinc/48/30/84/608483084.db2.gz OPXRUHWEBRODBG-UHFFFAOYSA-N -1 3 395.850 3.458 20 0 GGADHM COc1ccc(Cl)cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826208524 608483085 /nfs/dbraw/zinc/48/30/85/608483085.db2.gz OPXRUHWEBRODBG-UHFFFAOYSA-N -1 3 395.850 3.458 20 0 GGADHM CCC(=O)c1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825034155 608483255 /nfs/dbraw/zinc/48/32/55/608483255.db2.gz FJRAGTIKAKZEEJ-UHFFFAOYSA-N -1 3 387.443 3.389 20 0 GGADHM CCC(=O)c1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825034155 608483256 /nfs/dbraw/zinc/48/32/56/608483256.db2.gz FJRAGTIKAKZEEJ-UHFFFAOYSA-N -1 3 387.443 3.389 20 0 GGADHM C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000824634297 608483787 /nfs/dbraw/zinc/48/37/87/608483787.db2.gz VHWHPRZKTPIGLC-JTQLQIEISA-N -1 3 381.827 3.020 20 0 GGADHM C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000824634298 608483990 /nfs/dbraw/zinc/48/39/90/608483990.db2.gz VHWHPRZKTPIGLC-SNVBAGLBSA-N -1 3 381.827 3.020 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826337993 608484796 /nfs/dbraw/zinc/48/47/96/608484796.db2.gz HZSLBKLKUKRAGO-ZDUSSCGKSA-N -1 3 392.463 3.281 20 0 GGADHM Cc1noc(C)c1[C@@H](C)CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826337993 608484797 /nfs/dbraw/zinc/48/47/97/608484797.db2.gz HZSLBKLKUKRAGO-ZDUSSCGKSA-N -1 3 392.463 3.281 20 0 GGADHM CCN(CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000825395467 608484960 /nfs/dbraw/zinc/48/49/60/608484960.db2.gz PODQBUDHSMGAGS-UHFFFAOYSA-N -1 3 388.475 3.009 20 0 GGADHM CCN(CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000825395467 608484961 /nfs/dbraw/zinc/48/49/61/608484961.db2.gz PODQBUDHSMGAGS-UHFFFAOYSA-N -1 3 388.475 3.009 20 0 GGADHM Cc1cccc(C)c1NCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826296921 608485023 /nfs/dbraw/zinc/48/50/23/608485023.db2.gz OPTGKTXCHPRXCZ-UHFFFAOYSA-N -1 3 388.475 3.211 20 0 GGADHM Cc1cccc(C)c1NCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826296921 608485024 /nfs/dbraw/zinc/48/50/24/608485024.db2.gz OPTGKTXCHPRXCZ-UHFFFAOYSA-N -1 3 388.475 3.211 20 0 GGADHM Cc1ccc(F)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1F ZINC000826289135 608486838 /nfs/dbraw/zinc/48/68/38/608486838.db2.gz LQGVOKWRXHRMFP-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM Cc1ccc(F)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826289135 608486839 /nfs/dbraw/zinc/48/68/39/608486839.db2.gz LQGVOKWRXHRMFP-UHFFFAOYSA-N -1 3 381.386 3.383 20 0 GGADHM CC(C)c1nn(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(=S)n1C ZINC000824364621 608487682 /nfs/dbraw/zinc/48/76/82/608487682.db2.gz NKKXZHVNBAOQMW-UHFFFAOYSA-N -1 3 396.524 3.001 20 0 GGADHM CC(C)c1nn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(=S)n1C ZINC000824364621 608487683 /nfs/dbraw/zinc/48/76/83/608487683.db2.gz NKKXZHVNBAOQMW-UHFFFAOYSA-N -1 3 396.524 3.001 20 0 GGADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(O)c1 ZINC000824490965 608491235 /nfs/dbraw/zinc/49/12/35/608491235.db2.gz SBNFEMDJSGZTPO-CQSZACIVSA-N -1 3 390.447 3.132 20 0 GGADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(O)c1 ZINC000824490965 608491236 /nfs/dbraw/zinc/49/12/36/608491236.db2.gz SBNFEMDJSGZTPO-CQSZACIVSA-N -1 3 390.447 3.132 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826227334 608491756 /nfs/dbraw/zinc/49/17/56/608491756.db2.gz PIKYMDDLTFKLCG-MSOLQXFVSA-N -1 3 398.536 3.340 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826227334 608491757 /nfs/dbraw/zinc/49/17/57/608491757.db2.gz PIKYMDDLTFKLCG-MSOLQXFVSA-N -1 3 398.536 3.340 20 0 GGADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000825971359 608509211 /nfs/dbraw/zinc/50/92/11/608509211.db2.gz CREQQUGBLYEHMH-UHFFFAOYSA-N -1 3 378.770 3.462 20 0 GGADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000825971359 608509212 /nfs/dbraw/zinc/50/92/12/608509212.db2.gz CREQQUGBLYEHMH-UHFFFAOYSA-N -1 3 378.770 3.462 20 0 GGADHM C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826231908 608527945 /nfs/dbraw/zinc/52/79/45/608527945.db2.gz NBBMOTYDMUKEQG-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826231908 608527946 /nfs/dbraw/zinc/52/79/46/608527946.db2.gz NBBMOTYDMUKEQG-SECBINFHSA-N -1 3 392.797 3.088 20 0 GGADHM C[C@H](c1ccccc1Cl)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824770346 608529866 /nfs/dbraw/zinc/52/98/66/608529866.db2.gz JDTXETYPDFSRGZ-CYBMUJFWSA-N -1 3 388.928 3.460 20 0 GGADHM C[C@H](c1ccccc1Cl)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824770346 608529868 /nfs/dbraw/zinc/52/98/68/608529868.db2.gz JDTXETYPDFSRGZ-CYBMUJFWSA-N -1 3 388.928 3.460 20 0 GGADHM C[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000824564455 608534811 /nfs/dbraw/zinc/53/48/11/608534811.db2.gz TZIFSKAVXOMFLG-MRVPVSSYSA-N -1 3 380.836 3.010 20 0 GGADHM C[C@@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000824564455 608534813 /nfs/dbraw/zinc/53/48/13/608534813.db2.gz TZIFSKAVXOMFLG-MRVPVSSYSA-N -1 3 380.836 3.010 20 0 GGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826429540 608544777 /nfs/dbraw/zinc/54/47/77/608544777.db2.gz GQZUTQRDUVHWIW-JSGCOSHPSA-N -1 3 390.369 3.280 20 0 GGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826429540 608544779 /nfs/dbraw/zinc/54/47/79/608544779.db2.gz GQZUTQRDUVHWIW-JSGCOSHPSA-N -1 3 390.369 3.280 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000825332742 608552299 /nfs/dbraw/zinc/55/22/99/608552299.db2.gz LBJLNCQGYNDLHP-UHFFFAOYSA-N -1 3 381.440 3.165 20 0 GGADHM CN1C(=O)C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010446 608553930 /nfs/dbraw/zinc/55/39/30/608553930.db2.gz JDMPETRGGHDXIT-WBVHZDCISA-N -1 3 386.818 3.043 20 0 GGADHM CN1C(=O)C[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010446 608553931 /nfs/dbraw/zinc/55/39/31/608553931.db2.gz JDMPETRGGHDXIT-WBVHZDCISA-N -1 3 386.818 3.043 20 0 GGADHM C[C@@H]1CCC[C@@H](CC(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000824925125 608556013 /nfs/dbraw/zinc/55/60/13/608556013.db2.gz AUCLABYDGZRTBH-RCDYEMGKSA-N -1 3 398.511 3.284 20 0 GGADHM C[C@@H]1CCC[C@@H](CC(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000824925125 608556015 /nfs/dbraw/zinc/55/60/15/608556015.db2.gz AUCLABYDGZRTBH-RCDYEMGKSA-N -1 3 398.511 3.284 20 0 GGADHM O=C(CCC1CCCCC1)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826405413 608558975 /nfs/dbraw/zinc/55/89/75/608558975.db2.gz DXWIJKCGBAERBJ-UHFFFAOYSA-N -1 3 398.511 3.428 20 0 GGADHM O=C(CCC1CCCCC1)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826405413 608558976 /nfs/dbraw/zinc/55/89/76/608558976.db2.gz DXWIJKCGBAERBJ-UHFFFAOYSA-N -1 3 398.511 3.428 20 0 GGADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(Cl)cc1 ZINC000826429717 608559375 /nfs/dbraw/zinc/55/93/75/608559375.db2.gz LFVLSCWLRIRBTA-UHFFFAOYSA-N -1 3 398.854 3.035 20 0 GGADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(Cl)cc1 ZINC000826429717 608559376 /nfs/dbraw/zinc/55/93/76/608559376.db2.gz LFVLSCWLRIRBTA-UHFFFAOYSA-N -1 3 398.854 3.035 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1Cl ZINC000820437997 608563130 /nfs/dbraw/zinc/56/31/30/608563130.db2.gz FWRMIUBUGLACKO-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1Cl ZINC000820437997 608563132 /nfs/dbraw/zinc/56/31/32/608563132.db2.gz FWRMIUBUGLACKO-NSHDSACASA-N -1 3 381.827 3.421 20 0 GGADHM CO[C@H]1CCC[C@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826146220 608568902 /nfs/dbraw/zinc/56/89/02/608568902.db2.gz RVIRKMPLEKPQEG-LPHOPBHVSA-N -1 3 392.463 3.155 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Br)cc1 ZINC000826459904 608571131 /nfs/dbraw/zinc/57/11/31/608571131.db2.gz DZUTVVRAARWQAG-UHFFFAOYSA-N -1 3 399.252 3.155 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(Br)cc1 ZINC000826459904 608571132 /nfs/dbraw/zinc/57/11/32/608571132.db2.gz DZUTVVRAARWQAG-UHFFFAOYSA-N -1 3 399.252 3.155 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc(-c2ccccc2)no1 ZINC000826460100 608571365 /nfs/dbraw/zinc/57/13/65/608571365.db2.gz MUOVEGBBSBSLKM-UHFFFAOYSA-N -1 3 387.403 3.048 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc(-c2ccccc2)no1 ZINC000826460100 608571366 /nfs/dbraw/zinc/57/13/66/608571366.db2.gz MUOVEGBBSBSLKM-UHFFFAOYSA-N -1 3 387.403 3.048 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1Br ZINC000826459875 608571525 /nfs/dbraw/zinc/57/15/25/608571525.db2.gz CXTQCIDRCNSUCS-UHFFFAOYSA-N -1 3 399.252 3.155 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1Br ZINC000826459875 608571527 /nfs/dbraw/zinc/57/15/27/608571527.db2.gz CXTQCIDRCNSUCS-UHFFFAOYSA-N -1 3 399.252 3.155 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000826459847 608572349 /nfs/dbraw/zinc/57/23/49/608572349.db2.gz BRPLEJLYPFDXTA-GJZGRUSLSA-N -1 3 378.411 3.022 20 0 GGADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000826459847 608572351 /nfs/dbraw/zinc/57/23/51/608572351.db2.gz BRPLEJLYPFDXTA-GJZGRUSLSA-N -1 3 378.411 3.022 20 0 GGADHM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457393 608575755 /nfs/dbraw/zinc/57/57/55/608575755.db2.gz ZLPPGYRJOJZESQ-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457393 608575756 /nfs/dbraw/zinc/57/57/56/608575756.db2.gz ZLPPGYRJOJZESQ-UHFFFAOYSA-N -1 3 382.811 3.121 20 0 GGADHM O=C(NCc1ccnc(OC2CCCC2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826443679 608575767 /nfs/dbraw/zinc/57/57/67/608575767.db2.gz YWWZNILHXBTXQH-UHFFFAOYSA-N -1 3 398.854 3.167 20 0 GGADHM O=C(NCc1ccnc(OC2CCCC2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826443679 608575768 /nfs/dbraw/zinc/57/57/68/608575768.db2.gz YWWZNILHXBTXQH-UHFFFAOYSA-N -1 3 398.854 3.167 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccco1)c1ccccn1 ZINC000826472862 608576332 /nfs/dbraw/zinc/57/63/32/608576332.db2.gz ZDIPOOLWPLXGOZ-UHFFFAOYSA-N -1 3 380.795 3.355 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccco1)c1ccccn1 ZINC000826472862 608576333 /nfs/dbraw/zinc/57/63/33/608576333.db2.gz ZDIPOOLWPLXGOZ-UHFFFAOYSA-N -1 3 380.795 3.355 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000826473366 608577113 /nfs/dbraw/zinc/57/71/13/608577113.db2.gz VBERRKQKFNSCAE-MRXNPFEDSA-N -1 3 385.880 3.450 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000826473366 608577115 /nfs/dbraw/zinc/57/71/15/608577115.db2.gz VBERRKQKFNSCAE-MRXNPFEDSA-N -1 3 385.880 3.450 20 0 GGADHM Cc1cc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)s1 ZINC000826262234 608578223 /nfs/dbraw/zinc/57/82/23/608578223.db2.gz IOAWAQXRGFLSKG-NSHDSACASA-N -1 3 381.465 3.446 20 0 GGADHM Cc1cc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)s1 ZINC000826262234 608578224 /nfs/dbraw/zinc/57/82/24/608578224.db2.gz IOAWAQXRGFLSKG-NSHDSACASA-N -1 3 381.465 3.446 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000553157279 608580097 /nfs/dbraw/zinc/58/00/97/608580097.db2.gz ZTVTVLFNHPOVDS-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000553157279 608580098 /nfs/dbraw/zinc/58/00/98/608580098.db2.gz ZTVTVLFNHPOVDS-UHFFFAOYSA-N -1 3 397.288 3.322 20 0 GGADHM C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723315 608587698 /nfs/dbraw/zinc/58/76/98/608587698.db2.gz PQCFQYOEFKBOKG-NSHDSACASA-N -1 3 380.433 3.247 20 0 GGADHM C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723315 608587699 /nfs/dbraw/zinc/58/76/99/608587699.db2.gz PQCFQYOEFKBOKG-NSHDSACASA-N -1 3 380.433 3.247 20 0 GGADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826422974 608588707 /nfs/dbraw/zinc/58/87/07/608588707.db2.gz SXERCXPZUDLGQT-OAHLLOKOSA-N -1 3 393.344 3.358 20 0 GGADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826422974 608588708 /nfs/dbraw/zinc/58/87/08/608588708.db2.gz SXERCXPZUDLGQT-OAHLLOKOSA-N -1 3 393.344 3.358 20 0 GGADHM COc1ccc([C@H](C)COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826188145 608593375 /nfs/dbraw/zinc/59/33/75/608593375.db2.gz OQBYMXYCZYFQPG-CQSZACIVSA-N -1 3 396.447 3.380 20 0 GGADHM COc1ccc([C@H](C)COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826188145 608593377 /nfs/dbraw/zinc/59/33/77/608593377.db2.gz OQBYMXYCZYFQPG-CQSZACIVSA-N -1 3 396.447 3.380 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000510577473 608610383 /nfs/dbraw/zinc/61/03/83/608610383.db2.gz GJZWASZKDWZIEJ-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000510577473 608610384 /nfs/dbraw/zinc/61/03/84/608610384.db2.gz GJZWASZKDWZIEJ-UHFFFAOYSA-N -1 3 376.445 3.475 20 0 GGADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000825319141 608611002 /nfs/dbraw/zinc/61/10/02/608611002.db2.gz ZKEXGFPMCOBCGB-UHFFFAOYSA-N -1 3 378.436 3.341 20 0 GGADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000825319141 608611003 /nfs/dbraw/zinc/61/10/03/608611003.db2.gz ZKEXGFPMCOBCGB-UHFFFAOYSA-N -1 3 378.436 3.341 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)N(C)c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826288537 608615859 /nfs/dbraw/zinc/61/58/59/608615859.db2.gz LOAAUVDFIMSHIQ-UHFFFAOYSA-N -1 3 390.472 3.499 20 0 GGADHM Cc1ccc(Cc2nc(C(=O)N(C)c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826288537 608615860 /nfs/dbraw/zinc/61/58/60/608615860.db2.gz LOAAUVDFIMSHIQ-UHFFFAOYSA-N -1 3 390.472 3.499 20 0 GGADHM Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C(C)(C)C)n1 ZINC000826358817 608667681 /nfs/dbraw/zinc/66/76/81/608667681.db2.gz JXBFQLVSEPICNJ-UHFFFAOYSA-N -1 3 393.373 3.169 20 0 GGADHM Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C(C)(C)C)n1 ZINC000826358817 608667682 /nfs/dbraw/zinc/66/76/82/608667682.db2.gz JXBFQLVSEPICNJ-UHFFFAOYSA-N -1 3 393.373 3.169 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000826220035 608672075 /nfs/dbraw/zinc/67/20/75/608672075.db2.gz AEAPOBVUKQUSFV-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COc1ccccc1Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)o1 ZINC000826220035 608672078 /nfs/dbraw/zinc/67/20/78/608672078.db2.gz AEAPOBVUKQUSFV-UHFFFAOYSA-N -1 3 398.423 3.281 20 0 GGADHM COCCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)cc1Cl ZINC000826158118 608691000 /nfs/dbraw/zinc/69/10/00/608691000.db2.gz AYECGCRXPBXVCT-UHFFFAOYSA-N -1 3 381.864 3.369 20 0 GGADHM COCCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(F)cc1Cl ZINC000826158118 608691002 /nfs/dbraw/zinc/69/10/02/608691002.db2.gz AYECGCRXPBXVCT-UHFFFAOYSA-N -1 3 381.864 3.369 20 0 GGADHM Brc1cccc2c1CN(Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000823832876 608707319 /nfs/dbraw/zinc/70/73/19/608707319.db2.gz XSBMHOVNVPULAL-UHFFFAOYSA-N -1 3 376.283 3.249 20 0 GGADHM Brc1cccc2c1CN(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000823832876 608707322 /nfs/dbraw/zinc/70/73/22/608707322.db2.gz XSBMHOVNVPULAL-UHFFFAOYSA-N -1 3 376.283 3.249 20 0 GGADHM CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825159207 608727931 /nfs/dbraw/zinc/72/79/31/608727931.db2.gz LELLVRBSDJJPDR-QGZVFWFLSA-N -1 3 388.422 3.007 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000824513585 608755749 /nfs/dbraw/zinc/75/57/49/608755749.db2.gz CRZDIRXEBSZTOW-LBPRGKRZSA-N -1 3 376.395 3.492 20 0 GGADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000824513585 608755753 /nfs/dbraw/zinc/75/57/53/608755753.db2.gz CRZDIRXEBSZTOW-LBPRGKRZSA-N -1 3 376.395 3.492 20 0 GGADHM CCCc1nc2ccccc2n1CCC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000825352664 608761893 /nfs/dbraw/zinc/76/18/93/608761893.db2.gz OUZMSLMRLHQIHB-UHFFFAOYSA-N -1 3 389.463 3.222 20 0 GGADHM CCCc1nc2ccccc2n1CCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000825352664 608761897 /nfs/dbraw/zinc/76/18/97/608761897.db2.gz OUZMSLMRLHQIHB-UHFFFAOYSA-N -1 3 389.463 3.222 20 0 GGADHM CC1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)Cc2ccccc2C1 ZINC000824823783 608763398 /nfs/dbraw/zinc/76/33/98/608763398.db2.gz OXLYZKIUZDCTRL-UHFFFAOYSA-N -1 3 393.516 3.021 20 0 GGADHM CC1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc2C1 ZINC000824823783 608763401 /nfs/dbraw/zinc/76/34/01/608763401.db2.gz OXLYZKIUZDCTRL-UHFFFAOYSA-N -1 3 393.516 3.021 20 0 GGADHM Clc1ccc([C@@H]2CN(c3cnccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000826351427 608779402 /nfs/dbraw/zinc/77/94/02/608779402.db2.gz MHKGGOGQCJYENX-HNNXBMFYSA-N -1 3 377.235 3.146 20 0 GGADHM Clc1ccc([C@@H]2CN(c3cnccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000826351427 608779405 /nfs/dbraw/zinc/77/94/05/608779405.db2.gz MHKGGOGQCJYENX-HNNXBMFYSA-N -1 3 377.235 3.146 20 0 GGADHM Fc1ccc2ccnc(N3CCN(c4ccc(-c5nn[n-]n5)cc4F)CC3)c2c1 ZINC000826375919 608779653 /nfs/dbraw/zinc/77/96/53/608779653.db2.gz HFXCYEUIVCPSNQ-UHFFFAOYSA-N -1 3 393.401 3.020 20 0 GGADHM COC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826164186 608809518 /nfs/dbraw/zinc/80/95/18/608809518.db2.gz GHZFTLWIMPJBLM-CYBMUJFWSA-N -1 3 382.424 3.124 20 0 GGADHM COC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826164186 608809519 /nfs/dbraw/zinc/80/95/19/608809519.db2.gz GHZFTLWIMPJBLM-CYBMUJFWSA-N -1 3 382.424 3.124 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824892297 608811959 /nfs/dbraw/zinc/81/19/59/608811959.db2.gz GJQFUCCRPRXQOR-XJKSGUPXSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824892297 608811963 /nfs/dbraw/zinc/81/19/63/608811963.db2.gz GJQFUCCRPRXQOR-XJKSGUPXSA-N -1 3 394.435 3.348 20 0 GGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000824727909 608827484 /nfs/dbraw/zinc/82/74/84/608827484.db2.gz CTAZIRVBGIPYTC-MCIONIFRSA-N -1 3 395.438 3.308 20 0 GGADHM Fc1ccccc1C=C1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826378415 608836381 /nfs/dbraw/zinc/83/63/81/608836381.db2.gz JAKNDXTTWFWFCI-UHFFFAOYSA-N -1 3 389.438 3.333 20 0 GGADHM Fc1ccccc1C=C1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826378415 608836384 /nfs/dbraw/zinc/83/63/84/608836384.db2.gz JAKNDXTTWFWFCI-UHFFFAOYSA-N -1 3 389.438 3.333 20 0 GGADHM O=[N+]([O-])c1cc(CNc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000393436711 608867817 /nfs/dbraw/zinc/86/78/17/608867817.db2.gz RWRUDKXBALPSKX-UHFFFAOYSA-N -1 3 375.186 3.150 20 0 GGADHM O=[N+]([O-])c1cc(CNc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000393436711 608867832 /nfs/dbraw/zinc/86/78/32/608867832.db2.gz RWRUDKXBALPSKX-UHFFFAOYSA-N -1 3 375.186 3.150 20 0 GGADHM FC(F)(F)c1cc(NCc2ncn(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000826368387 608883326 /nfs/dbraw/zinc/88/33/26/608883326.db2.gz NNVBMALYFSFRHS-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM FC(F)(F)c1cc(NCc2ncn(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000826368387 608883329 /nfs/dbraw/zinc/88/33/29/608883329.db2.gz NNVBMALYFSFRHS-UHFFFAOYSA-N -1 3 386.341 3.078 20 0 GGADHM C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824517009 608884315 /nfs/dbraw/zinc/88/43/15/608884315.db2.gz ZZFKJNOXOQEVDF-CYBMUJFWSA-N -1 3 393.447 3.313 20 0 GGADHM C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824517009 608884316 /nfs/dbraw/zinc/88/43/16/608884316.db2.gz ZZFKJNOXOQEVDF-CYBMUJFWSA-N -1 3 393.447 3.313 20 0 GGADHM CCCCCC[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825270922 609133990 /nfs/dbraw/zinc/13/39/90/609133990.db2.gz FDVLUQZVHGQPHN-MAUKXSAKSA-N -1 3 398.511 3.085 20 0 GGADHM CCCCCC[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825270922 609133993 /nfs/dbraw/zinc/13/39/93/609133993.db2.gz FDVLUQZVHGQPHN-MAUKXSAKSA-N -1 3 398.511 3.085 20 0 GGADHM COc1ccc(COC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1-c1nnn[n-]1 ZINC000826206150 609135574 /nfs/dbraw/zinc/13/55/74/609135574.db2.gz FXWXFDWNKUNWKY-KRWDZBQOSA-N -1 3 394.431 3.126 20 0 GGADHM COc1ccc(COC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1-c1nn[n-]n1 ZINC000826206150 609135575 /nfs/dbraw/zinc/13/55/75/609135575.db2.gz FXWXFDWNKUNWKY-KRWDZBQOSA-N -1 3 394.431 3.126 20 0 GGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824906119 609137762 /nfs/dbraw/zinc/13/77/62/609137762.db2.gz ABRUCQDNNUQNMS-RISCZKNCSA-N -1 3 399.442 3.289 20 0 GGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824906119 609137763 /nfs/dbraw/zinc/13/77/63/609137763.db2.gz ABRUCQDNNUQNMS-RISCZKNCSA-N -1 3 399.442 3.289 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nnc2n1CCCCC2 ZINC000825141064 609140100 /nfs/dbraw/zinc/14/01/00/609140100.db2.gz NCNMKFGGTLAHCE-LRDDRELGSA-N -1 3 384.463 3.126 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1nnc2n1CCCCC2 ZINC000825141064 609140102 /nfs/dbraw/zinc/14/01/02/609140102.db2.gz NCNMKFGGTLAHCE-LRDDRELGSA-N -1 3 384.463 3.126 20 0 GGADHM COc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)cc2F)C(F)(F)F)cc1 ZINC000826188913 609149959 /nfs/dbraw/zinc/14/99/59/609149959.db2.gz JSKCOZIFPBQXRO-HNNXBMFYSA-N -1 3 381.333 3.408 20 0 GGADHM COc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2F)C(F)(F)F)cc1 ZINC000826188913 609149960 /nfs/dbraw/zinc/14/99/60/609149960.db2.gz JSKCOZIFPBQXRO-HNNXBMFYSA-N -1 3 381.333 3.408 20 0 GGADHM Fc1cccc(F)c1[C@H](NCCOc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000826377546 609152888 /nfs/dbraw/zinc/15/28/88/609152888.db2.gz WNPMDFNFCRPJSU-HNNXBMFYSA-N -1 3 399.323 3.417 20 0 GGADHM O[C@H](CN[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826502769 609152892 /nfs/dbraw/zinc/15/28/92/609152892.db2.gz KHSDYIWMNZFHIP-HIFRSBDPSA-N -1 3 399.323 3.072 20 0 GGADHM O[C@H](CN[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826502769 609152894 /nfs/dbraw/zinc/15/28/94/609152894.db2.gz KHSDYIWMNZFHIP-HIFRSBDPSA-N -1 3 399.323 3.072 20 0 GGADHM Cn1ccc(COC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826363699 609155709 /nfs/dbraw/zinc/15/57/09/609155709.db2.gz YIYRWOTUBKABIO-UHFFFAOYSA-N -1 3 392.444 3.108 20 0 GGADHM Cn1ccc(COC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826363699 609155710 /nfs/dbraw/zinc/15/57/10/609155710.db2.gz YIYRWOTUBKABIO-UHFFFAOYSA-N -1 3 392.444 3.108 20 0 GGADHM O=C(Cc1cc2ccccc2[nH]c1=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826421613 609155770 /nfs/dbraw/zinc/15/57/70/609155770.db2.gz QMYLOVXXNZXWDL-UHFFFAOYSA-N -1 3 395.806 3.060 20 0 GGADHM O=C(Cc1cc2ccccc2[nH]c1=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826421613 609155771 /nfs/dbraw/zinc/15/57/71/609155771.db2.gz QMYLOVXXNZXWDL-UHFFFAOYSA-N -1 3 395.806 3.060 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000826185878 609157020 /nfs/dbraw/zinc/15/70/20/609157020.db2.gz WSVYGKUXLAXYKE-MWLCHTKSSA-N -1 3 384.362 3.070 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000826185878 609157021 /nfs/dbraw/zinc/15/70/21/609157021.db2.gz WSVYGKUXLAXYKE-MWLCHTKSSA-N -1 3 384.362 3.070 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000826278065 609157314 /nfs/dbraw/zinc/15/73/14/609157314.db2.gz QGXAYCPHOHHTLS-OAHLLOKOSA-N -1 3 378.436 3.108 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000826278065 609157316 /nfs/dbraw/zinc/15/73/16/609157316.db2.gz QGXAYCPHOHHTLS-OAHLLOKOSA-N -1 3 378.436 3.108 20 0 GGADHM COc1c(C)cnc(CCCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826167188 609159542 /nfs/dbraw/zinc/15/95/42/609159542.db2.gz SURVCGUROWCLLP-KHPPLWFESA-N -1 3 393.447 3.076 20 0 GGADHM COc1c(C)cnc(CCCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826167188 609159544 /nfs/dbraw/zinc/15/95/44/609159544.db2.gz SURVCGUROWCLLP-KHPPLWFESA-N -1 3 393.447 3.076 20 0 GGADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258103 609160375 /nfs/dbraw/zinc/16/03/75/609160375.db2.gz ZJXPLUQVYHCSAC-VBKZILBWSA-N -1 3 399.458 3.194 20 0 GGADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258103 609160376 /nfs/dbraw/zinc/16/03/76/609160376.db2.gz ZJXPLUQVYHCSAC-VBKZILBWSA-N -1 3 399.458 3.194 20 0 GGADHM CC(Cl)(Cl)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824464909 609161040 /nfs/dbraw/zinc/16/10/40/609161040.db2.gz LAKMCOQIXVCXNI-UHFFFAOYSA-N -1 3 383.264 3.046 20 0 GGADHM CC(Cl)(Cl)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824464909 609161041 /nfs/dbraw/zinc/16/10/41/609161041.db2.gz LAKMCOQIXVCXNI-UHFFFAOYSA-N -1 3 383.264 3.046 20 0 GGADHM C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470684 609162019 /nfs/dbraw/zinc/16/20/19/609162019.db2.gz KLTSQHKSLFRVLR-LBPRGKRZSA-N -1 3 383.402 3.444 20 0 GGADHM C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470684 609162021 /nfs/dbraw/zinc/16/20/21/609162021.db2.gz KLTSQHKSLFRVLR-LBPRGKRZSA-N -1 3 383.402 3.444 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826233791 609168104 /nfs/dbraw/zinc/16/81/04/609168104.db2.gz WFJVMPGYGKUMIE-PXAZEXFGSA-N -1 3 392.463 3.218 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826233791 609168105 /nfs/dbraw/zinc/16/81/05/609168105.db2.gz WFJVMPGYGKUMIE-PXAZEXFGSA-N -1 3 392.463 3.218 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC000826233863 609168264 /nfs/dbraw/zinc/16/82/64/609168264.db2.gz YHXMCXZVNZDZGR-GFCCVEGCSA-N -1 3 391.262 3.407 20 0 GGADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC000826233863 609168265 /nfs/dbraw/zinc/16/82/65/609168265.db2.gz YHXMCXZVNZDZGR-GFCCVEGCSA-N -1 3 391.262 3.407 20 0 GGADHM CC1CCC2(CC1)OC[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)O2 ZINC000824916626 609172990 /nfs/dbraw/zinc/17/29/90/609172990.db2.gz KTDRMCJGVSWAPA-CSJGVYOVSA-N -1 3 398.389 3.014 20 0 GGADHM CC1CCC2(CC1)OC[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)O2 ZINC000824916626 609172991 /nfs/dbraw/zinc/17/29/91/609172991.db2.gz KTDRMCJGVSWAPA-CSJGVYOVSA-N -1 3 398.389 3.014 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000825481008 609177875 /nfs/dbraw/zinc/17/78/75/609177875.db2.gz QPYOZHUBKZYVQG-UHFFFAOYSA-N -1 3 398.377 3.239 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824497988 609186440 /nfs/dbraw/zinc/18/64/40/609186440.db2.gz BSPNIZTVBSDSJJ-PXAZEXFGSA-N -1 3 396.426 3.280 20 0 GGADHM C[C@@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824497988 609186441 /nfs/dbraw/zinc/18/64/41/609186441.db2.gz BSPNIZTVBSDSJJ-PXAZEXFGSA-N -1 3 396.426 3.280 20 0 GGADHM CCCOc1ccc(CN(CCC)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OC ZINC000825339409 609190507 /nfs/dbraw/zinc/19/05/07/609190507.db2.gz ZGRWPFGRZFDVHB-UHFFFAOYSA-N -1 3 398.467 3.045 20 0 GGADHM CCCOc1ccc(CN(CCC)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OC ZINC000825339409 609190508 /nfs/dbraw/zinc/19/05/08/609190508.db2.gz ZGRWPFGRZFDVHB-UHFFFAOYSA-N -1 3 398.467 3.045 20 0 GGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826442209 609193160 /nfs/dbraw/zinc/19/31/60/609193160.db2.gz MWJOXMPAULHAJR-UHFFFAOYSA-N -1 3 378.367 3.056 20 0 GGADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826442209 609193162 /nfs/dbraw/zinc/19/31/62/609193162.db2.gz MWJOXMPAULHAJR-UHFFFAOYSA-N -1 3 378.367 3.056 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824087380 609196854 /nfs/dbraw/zinc/19/68/54/609196854.db2.gz UFBDSHGEIYFGAY-ROUUACIJSA-N -1 3 379.464 3.194 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824087380 609196855 /nfs/dbraw/zinc/19/68/55/609196855.db2.gz UFBDSHGEIYFGAY-ROUUACIJSA-N -1 3 379.464 3.194 20 0 GGADHM O=C(NCCSCc1cccc2ccccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826439387 609201416 /nfs/dbraw/zinc/20/14/16/609201416.db2.gz SASTWVMZQKJASK-UHFFFAOYSA-N -1 3 378.461 3.011 20 0 GGADHM O=C(NCCSCc1cccc2ccccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826439387 609201418 /nfs/dbraw/zinc/20/14/18/609201418.db2.gz SASTWVMZQKJASK-UHFFFAOYSA-N -1 3 378.461 3.011 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824761775 609207226 /nfs/dbraw/zinc/20/72/26/609207226.db2.gz CIIDPVIKFKACJM-XIKOKIGWSA-N -1 3 397.866 3.306 20 0 GGADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824761775 609207227 /nfs/dbraw/zinc/20/72/27/609207227.db2.gz CIIDPVIKFKACJM-XIKOKIGWSA-N -1 3 397.866 3.306 20 0 GGADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000826469415 609209254 /nfs/dbraw/zinc/20/92/54/609209254.db2.gz GMCLFVIHXPABSI-AWEZNQCLSA-N -1 3 376.342 3.191 20 0 GGADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000826469415 609209255 /nfs/dbraw/zinc/20/92/55/609209255.db2.gz GMCLFVIHXPABSI-AWEZNQCLSA-N -1 3 376.342 3.191 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000826397513 609211609 /nfs/dbraw/zinc/21/16/09/609211609.db2.gz FTACHJQMRBNFOS-LEWJYISDSA-N -1 3 399.454 3.417 20 0 GGADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000826397513 609211611 /nfs/dbraw/zinc/21/16/11/609211611.db2.gz FTACHJQMRBNFOS-LEWJYISDSA-N -1 3 399.454 3.417 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(CCc1ccccc1)c1ccccc1 ZINC000826396704 609213649 /nfs/dbraw/zinc/21/36/49/609213649.db2.gz IUNBYNUHLAJABM-NRFANRHFSA-N -1 3 399.454 3.176 20 0 GGADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(CCc1ccccc1)c1ccccc1 ZINC000826396704 609213651 /nfs/dbraw/zinc/21/36/51/609213651.db2.gz IUNBYNUHLAJABM-NRFANRHFSA-N -1 3 399.454 3.176 20 0 GGADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000825282734 609214730 /nfs/dbraw/zinc/21/47/30/609214730.db2.gz YFXCNRTXMUTLDE-DNVCBOLYSA-N -1 3 379.464 3.290 20 0 GGADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000825282734 609214731 /nfs/dbraw/zinc/21/47/31/609214731.db2.gz YFXCNRTXMUTLDE-DNVCBOLYSA-N -1 3 379.464 3.290 20 0 GGADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826316143 609215873 /nfs/dbraw/zinc/21/58/73/609215873.db2.gz DTOHAZOYNDLVTH-OAHLLOKOSA-N -1 3 378.461 3.279 20 0 GGADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826316143 609215875 /nfs/dbraw/zinc/21/58/75/609215875.db2.gz DTOHAZOYNDLVTH-OAHLLOKOSA-N -1 3 378.461 3.279 20 0 GGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427280 609220063 /nfs/dbraw/zinc/22/00/63/609220063.db2.gz LCZFSVYBAYHLHC-QGZVFWFLSA-N -1 3 397.866 3.139 20 0 GGADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427280 609220064 /nfs/dbraw/zinc/22/00/64/609220064.db2.gz LCZFSVYBAYHLHC-QGZVFWFLSA-N -1 3 397.866 3.139 20 0 GGADHM CCCCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825267995 609222127 /nfs/dbraw/zinc/22/21/27/609222127.db2.gz POMPEGBWHHNXEM-RBUKOAKNSA-N -1 3 379.464 3.338 20 0 GGADHM CCCCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825267995 609222129 /nfs/dbraw/zinc/22/21/29/609222129.db2.gz POMPEGBWHHNXEM-RBUKOAKNSA-N -1 3 379.464 3.338 20 0 GGADHM CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824337570 609223925 /nfs/dbraw/zinc/22/39/25/609223925.db2.gz AYGPFMBGEGTQHG-SCLBCKFNSA-N -1 3 397.504 3.278 20 0 GGADHM CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824337570 609223926 /nfs/dbraw/zinc/22/39/26/609223926.db2.gz AYGPFMBGEGTQHG-SCLBCKFNSA-N -1 3 397.504 3.278 20 0 GGADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000824471507 609233665 /nfs/dbraw/zinc/23/36/65/609233665.db2.gz QYRVFKMCWWAORT-RFAUZJTJSA-N -1 3 392.246 3.084 20 0 GGADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000824471507 609233666 /nfs/dbraw/zinc/23/36/66/609233666.db2.gz QYRVFKMCWWAORT-RFAUZJTJSA-N -1 3 392.246 3.084 20 0 GGADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)nn1[C@H](C)C1CC1 ZINC000826256985 609234015 /nfs/dbraw/zinc/23/40/15/609234015.db2.gz JECMOKCOZSPIEI-LLVKDONJSA-N -1 3 385.859 3.273 20 0 GGADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)nn1[C@H](C)C1CC1 ZINC000826256985 609234016 /nfs/dbraw/zinc/23/40/16/609234016.db2.gz JECMOKCOZSPIEI-LLVKDONJSA-N -1 3 385.859 3.273 20 0 GGADHM Cc1ncc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c(C)n1 ZINC000826329411 609234900 /nfs/dbraw/zinc/23/49/00/609234900.db2.gz BQQCPXLYABMGEC-UHFFFAOYSA-N -1 3 388.387 3.285 20 0 GGADHM Cc1ncc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c(C)n1 ZINC000826329411 609234902 /nfs/dbraw/zinc/23/49/02/609234902.db2.gz BQQCPXLYABMGEC-UHFFFAOYSA-N -1 3 388.387 3.285 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826285004 609235435 /nfs/dbraw/zinc/23/54/35/609235435.db2.gz NKAKGHZQFJYDJA-UIAACRFSSA-N -1 3 391.475 3.208 20 0 GGADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285004 609235436 /nfs/dbraw/zinc/23/54/36/609235436.db2.gz NKAKGHZQFJYDJA-UIAACRFSSA-N -1 3 391.475 3.208 20 0 GGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824769810 609236039 /nfs/dbraw/zinc/23/60/39/609236039.db2.gz BEHHCSWQUUTACC-MGPUTAFESA-N -1 3 391.475 3.290 20 0 GGADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824769810 609236042 /nfs/dbraw/zinc/23/60/42/609236042.db2.gz BEHHCSWQUUTACC-MGPUTAFESA-N -1 3 391.475 3.290 20 0 GGADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000826422319 609236265 /nfs/dbraw/zinc/23/62/65/609236265.db2.gz USKPBFUYTMGVMN-UHFFFAOYSA-N -1 3 397.398 3.251 20 0 GGADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000826422319 609236267 /nfs/dbraw/zinc/23/62/67/609236267.db2.gz USKPBFUYTMGVMN-UHFFFAOYSA-N -1 3 397.398 3.251 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825125504 609239770 /nfs/dbraw/zinc/23/97/70/609239770.db2.gz CTSDIIBYJZUCNS-PMACEKPBSA-N -1 3 393.491 3.078 20 0 GGADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825125504 609239771 /nfs/dbraw/zinc/23/97/71/609239771.db2.gz CTSDIIBYJZUCNS-PMACEKPBSA-N -1 3 393.491 3.078 20 0 GGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824657119 609240101 /nfs/dbraw/zinc/24/01/01/609240101.db2.gz OHZDZQNEURCYRX-CYBMUJFWSA-N -1 3 382.443 3.140 20 0 GGADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824657119 609240103 /nfs/dbraw/zinc/24/01/03/609240103.db2.gz OHZDZQNEURCYRX-CYBMUJFWSA-N -1 3 382.443 3.140 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCCc4ccccc43)cc2-c2nnn[n-]2)CC1 ZINC000826507800 609241239 /nfs/dbraw/zinc/24/12/39/609241239.db2.gz WSTUFOVHVXEHLE-FQEVSTJZSA-N -1 3 390.491 3.317 20 0 GGADHM OC1CCN(c2ccc(N[C@H]3CCCc4ccccc43)cc2-c2nn[n-]n2)CC1 ZINC000826507800 609241241 /nfs/dbraw/zinc/24/12/41/609241241.db2.gz WSTUFOVHVXEHLE-FQEVSTJZSA-N -1 3 390.491 3.317 20 0 GGADHM C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824877423 609242526 /nfs/dbraw/zinc/24/25/26/609242526.db2.gz YCMQOUFLEJMAGO-KDOFPFPSSA-N -1 3 384.528 3.455 20 0 GGADHM C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824877423 609242528 /nfs/dbraw/zinc/24/25/28/609242528.db2.gz YCMQOUFLEJMAGO-KDOFPFPSSA-N -1 3 384.528 3.455 20 0 GGADHM OC1CCN(c2ccc(N[C@H](c3ccccc3)C3CC3)cc2-c2nnn[n-]2)CC1 ZINC000826507544 609242783 /nfs/dbraw/zinc/24/27/83/609242783.db2.gz QKHUCMJCMSVGKC-OAQYLSRUSA-N -1 3 390.491 3.391 20 0 GGADHM OC1CCN(c2ccc(N[C@H](c3ccccc3)C3CC3)cc2-c2nn[n-]n2)CC1 ZINC000826507544 609242784 /nfs/dbraw/zinc/24/27/84/609242784.db2.gz QKHUCMJCMSVGKC-OAQYLSRUSA-N -1 3 390.491 3.391 20 0 GGADHM Cc1ncc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(C)n1 ZINC000826329741 609246272 /nfs/dbraw/zinc/24/62/72/609246272.db2.gz PSVWOSKJFHXYPY-UHFFFAOYSA-N -1 3 386.415 3.298 20 0 GGADHM Cc1ncc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(C)n1 ZINC000826329741 609246275 /nfs/dbraw/zinc/24/62/75/609246275.db2.gz PSVWOSKJFHXYPY-UHFFFAOYSA-N -1 3 386.415 3.298 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1CC2(C1)CCCCC2 ZINC000826475627 609249135 /nfs/dbraw/zinc/24/91/35/609249135.db2.gz LYHDJNMNUWVPLS-UHFFFAOYSA-N -1 3 393.447 3.445 20 0 GGADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CC2(C1)CCCCC2 ZINC000826475627 609249137 /nfs/dbraw/zinc/24/91/37/609249137.db2.gz LYHDJNMNUWVPLS-UHFFFAOYSA-N -1 3 393.447 3.445 20 0 GGADHM O=C(Nc1ccccc1Nc1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457411 609255026 /nfs/dbraw/zinc/25/50/26/609255026.db2.gz AACZQCBPWMQMFY-LJQANCHMSA-N -1 3 386.415 3.282 20 0 GGADHM O=C(Nc1ccccc1Nc1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457411 609255027 /nfs/dbraw/zinc/25/50/27/609255027.db2.gz AACZQCBPWMQMFY-LJQANCHMSA-N -1 3 386.415 3.282 20 0 GGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccc(F)cc1 ZINC000826260830 609256207 /nfs/dbraw/zinc/25/62/07/609256207.db2.gz GKYGTFANHLDWSY-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccc(F)cc1 ZINC000826260830 609256209 /nfs/dbraw/zinc/25/62/09/609256209.db2.gz GKYGTFANHLDWSY-ZDUSSCGKSA-N -1 3 392.394 3.418 20 0 GGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000824347523 609256427 /nfs/dbraw/zinc/25/64/27/609256427.db2.gz CBDVHKRAMODHGZ-PMACEKPBSA-N -1 3 391.475 3.217 20 0 GGADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000824347523 609256428 /nfs/dbraw/zinc/25/64/28/609256428.db2.gz CBDVHKRAMODHGZ-PMACEKPBSA-N -1 3 391.475 3.217 20 0 GGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347472 609256808 /nfs/dbraw/zinc/25/68/08/609256808.db2.gz BCZXWFGMMFNFMB-PMACEKPBSA-N -1 3 391.475 3.387 20 0 GGADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347472 609256810 /nfs/dbraw/zinc/25/68/10/609256810.db2.gz BCZXWFGMMFNFMB-PMACEKPBSA-N -1 3 391.475 3.387 20 0 GGADHM CC(C)(C)SCCCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000824124767 609258383 /nfs/dbraw/zinc/25/83/83/609258383.db2.gz ZQQPMICCJIAGTR-MRXNPFEDSA-N -1 3 389.525 3.301 20 0 GGADHM COC(=O)[C@H](Nc1ccc2sc(C)nc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111945 609268460 /nfs/dbraw/zinc/26/84/60/609268460.db2.gz OQZOQCVGFXUVKV-MRXNPFEDSA-N -1 3 380.433 3.111 20 0 GGADHM COC(=O)[C@H](Nc1ccc2sc(C)nc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111945 609268463 /nfs/dbraw/zinc/26/84/63/609268463.db2.gz OQZOQCVGFXUVKV-MRXNPFEDSA-N -1 3 380.433 3.111 20 0 GGADHM CCN(C(=O)C=Cc1ccc(OC)c(O)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367224 609268640 /nfs/dbraw/zinc/26/86/40/609268640.db2.gz LJTOAIWURSSUOQ-TZWLIRKLSA-N -1 3 393.447 3.204 20 0 GGADHM CCN(C(=O)C=Cc1ccc(OC)c(O)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367224 609268641 /nfs/dbraw/zinc/26/86/41/609268641.db2.gz LJTOAIWURSSUOQ-TZWLIRKLSA-N -1 3 393.447 3.204 20 0 GGADHM CC1(NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCOCC1 ZINC000824831536 609269176 /nfs/dbraw/zinc/26/91/76/609269176.db2.gz PGZLYXACKFUCKD-UHFFFAOYSA-N -1 3 394.435 3.350 20 0 GGADHM CC1(NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCOCC1 ZINC000824831536 609269178 /nfs/dbraw/zinc/26/91/78/609269178.db2.gz PGZLYXACKFUCKD-UHFFFAOYSA-N -1 3 394.435 3.350 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000826278346 609271015 /nfs/dbraw/zinc/27/10/15/609271015.db2.gz YNBRLLAQPMUXDV-UHFFFAOYSA-N -1 3 376.342 3.256 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000826278346 609271017 /nfs/dbraw/zinc/27/10/17/609271017.db2.gz YNBRLLAQPMUXDV-UHFFFAOYSA-N -1 3 376.342 3.256 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCCOc3cc(F)ccc32)cccc1-c1nnn[n-]1 ZINC000826242096 609272869 /nfs/dbraw/zinc/27/28/69/609272869.db2.gz ZLBNYJNWCDZWHP-INIZCTEOSA-N -1 3 382.399 3.350 20 0 GGADHM Cc1c(NC(=O)N[C@H]2CCCOc3cc(F)ccc32)cccc1-c1nn[n-]n1 ZINC000826242096 609272871 /nfs/dbraw/zinc/27/28/71/609272871.db2.gz ZLBNYJNWCDZWHP-INIZCTEOSA-N -1 3 382.399 3.350 20 0 GGADHM CC1(C)NC(=O)N(c2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)C1=O ZINC000824811734 609273286 /nfs/dbraw/zinc/27/32/86/609273286.db2.gz ATZBWFVFBIHBCR-UHFFFAOYSA-N -1 3 398.810 3.147 20 0 GGADHM CC1(C)NC(=O)N(c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)C1=O ZINC000824811734 609273287 /nfs/dbraw/zinc/27/32/87/609273287.db2.gz ATZBWFVFBIHBCR-UHFFFAOYSA-N -1 3 398.810 3.147 20 0 GGADHM CCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1=O ZINC000825247920 609273773 /nfs/dbraw/zinc/27/37/73/609273773.db2.gz IPLWLXIJPMZGRI-HXUWFJFHSA-N -1 3 392.419 3.274 20 0 GGADHM CCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1=O ZINC000825247920 609273774 /nfs/dbraw/zinc/27/37/74/609273774.db2.gz IPLWLXIJPMZGRI-HXUWFJFHSA-N -1 3 392.419 3.274 20 0 GGADHM CCNC(=O)c1ccc(C)c(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825476939 609273792 /nfs/dbraw/zinc/27/37/92/609273792.db2.gz ZDOWEKYWZWJBOG-GOSISDBHSA-N -1 3 376.464 3.414 20 0 GGADHM CCNC(=O)c1ccc(C)c(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825476939 609273794 /nfs/dbraw/zinc/27/37/94/609273794.db2.gz ZDOWEKYWZWJBOG-GOSISDBHSA-N -1 3 376.464 3.414 20 0 GGADHM CCN1CC(=O)N(c2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)C1=O ZINC000825444652 609273813 /nfs/dbraw/zinc/27/38/13/609273813.db2.gz QCHMVSIUTOMSAK-UHFFFAOYSA-N -1 3 398.810 3.101 20 0 GGADHM CCN1CC(=O)N(c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)C1=O ZINC000825444652 609273814 /nfs/dbraw/zinc/27/38/14/609273814.db2.gz QCHMVSIUTOMSAK-UHFFFAOYSA-N -1 3 398.810 3.101 20 0 GGADHM CC(C)(C)[C@H]1NC(=O)N(c2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1=O ZINC000824078785 609275905 /nfs/dbraw/zinc/27/59/05/609275905.db2.gz KFTQCTCNRPRGKU-INIZCTEOSA-N -1 3 392.419 3.130 20 0 GGADHM CC(C)(C)[C@H]1NC(=O)N(c2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1=O ZINC000824078785 609275906 /nfs/dbraw/zinc/27/59/06/609275906.db2.gz KFTQCTCNRPRGKU-INIZCTEOSA-N -1 3 392.419 3.130 20 0 GGADHM COc1ccc(C(=O)N2CCCC2)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826187298 609276808 /nfs/dbraw/zinc/27/68/08/609276808.db2.gz KDJAAKTZHLFIEW-AWEZNQCLSA-N -1 3 392.463 3.284 20 0 GGADHM COc1ccc(C(=O)N2CCCC2)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826187298 609276809 /nfs/dbraw/zinc/27/68/09/609276809.db2.gz KDJAAKTZHLFIEW-AWEZNQCLSA-N -1 3 392.463 3.284 20 0 GGADHM CC(C)(C)[C@H]1NC(=O)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000824077513 609277697 /nfs/dbraw/zinc/27/76/97/609277697.db2.gz BZVRVLNHNXEKRE-KRWDZBQOSA-N -1 3 390.447 3.000 20 0 GGADHM CC(C)(C)[C@H]1NC(=O)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000824077513 609277699 /nfs/dbraw/zinc/27/76/99/609277699.db2.gz BZVRVLNHNXEKRE-KRWDZBQOSA-N -1 3 390.447 3.000 20 0 GGADHM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824991787 609279826 /nfs/dbraw/zinc/27/98/26/609279826.db2.gz HDJVJZKKGYDTAK-ZIAGYGMSSA-N -1 3 382.443 3.404 20 0 GGADHM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824991787 609279828 /nfs/dbraw/zinc/27/98/28/609279828.db2.gz HDJVJZKKGYDTAK-ZIAGYGMSSA-N -1 3 382.443 3.404 20 0 GGADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCOC1 ZINC000824784358 609279864 /nfs/dbraw/zinc/27/98/64/609279864.db2.gz REILMRNIIWSBPI-HXUWFJFHSA-N -1 3 379.420 3.414 20 0 GGADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCOC1 ZINC000824784358 609279866 /nfs/dbraw/zinc/27/98/66/609279866.db2.gz REILMRNIIWSBPI-HXUWFJFHSA-N -1 3 379.420 3.414 20 0 GGADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cnn1C1CCCCC1 ZINC000826234456 609280361 /nfs/dbraw/zinc/28/03/61/609280361.db2.gz XKUSQQWPKXXILN-UHFFFAOYSA-N -1 3 383.431 3.293 20 0 GGADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cnn1C1CCCCC1 ZINC000826234456 609280362 /nfs/dbraw/zinc/28/03/62/609280362.db2.gz XKUSQQWPKXXILN-UHFFFAOYSA-N -1 3 383.431 3.293 20 0 GGADHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826290192 609280496 /nfs/dbraw/zinc/28/04/96/609280496.db2.gz FFNMUTWRGNKMHD-GFCCVEGCSA-N -1 3 382.399 3.444 20 0 GGADHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826290192 609280498 /nfs/dbraw/zinc/28/04/98/609280498.db2.gz FFNMUTWRGNKMHD-GFCCVEGCSA-N -1 3 382.399 3.444 20 0 GGADHM CCOC(=O)CN(Cc1cc(-c2nnn[n-]2)ccc1OC)[C@H](C)c1ccccc1 ZINC000825511937 609281367 /nfs/dbraw/zinc/28/13/67/609281367.db2.gz LYURKZWFWVDLPS-OAHLLOKOSA-N -1 3 395.463 3.002 20 0 GGADHM CCOC(=O)CN(Cc1cc(-c2nn[n-]n2)ccc1OC)[C@H](C)c1ccccc1 ZINC000825511937 609281369 /nfs/dbraw/zinc/28/13/69/609281369.db2.gz LYURKZWFWVDLPS-OAHLLOKOSA-N -1 3 395.463 3.002 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)COc1ccccc1-c1nnn[n-]1)CC2 ZINC000824137190 609283250 /nfs/dbraw/zinc/28/32/50/609283250.db2.gz YGBVPLOVCHLMNX-UHFFFAOYSA-N -1 3 391.475 3.128 20 0 GGADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)COc1ccccc1-c1nn[n-]n1)CC2 ZINC000824137190 609283253 /nfs/dbraw/zinc/28/32/53/609283253.db2.gz YGBVPLOVCHLMNX-UHFFFAOYSA-N -1 3 391.475 3.128 20 0 GGADHM COc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1C(C)C ZINC000826177454 609283787 /nfs/dbraw/zinc/28/37/87/609283787.db2.gz JDMFWTDADMTQLY-UHFFFAOYSA-N -1 3 386.383 3.366 20 0 GGADHM COc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1C(C)C ZINC000826177454 609283789 /nfs/dbraw/zinc/28/37/89/609283789.db2.gz JDMFWTDADMTQLY-UHFFFAOYSA-N -1 3 386.383 3.366 20 0 GGADHM CCc1ccsc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825733286 609286980 /nfs/dbraw/zinc/28/69/80/609286980.db2.gz AQHKLCSHHMSLRR-UHFFFAOYSA-N -1 3 383.412 3.068 20 0 GGADHM Cc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1C ZINC000826296139 609287512 /nfs/dbraw/zinc/28/75/12/609287512.db2.gz KNTQATGNSQLWAW-UHFFFAOYSA-N -1 3 377.383 3.061 20 0 GGADHM Cc1nc2cc(NC(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)ccc2s1 ZINC000826328314 609287643 /nfs/dbraw/zinc/28/76/43/609287643.db2.gz NGGWOJNCJQXTJD-JTQLQIEISA-N -1 3 380.433 3.191 20 0 GGADHM Cc1nc2cc(NC(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)ccc2s1 ZINC000826328314 609287644 /nfs/dbraw/zinc/28/76/44/609287644.db2.gz NGGWOJNCJQXTJD-JTQLQIEISA-N -1 3 380.433 3.191 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000826472942 609287901 /nfs/dbraw/zinc/28/79/01/609287901.db2.gz DECIIQWXLIXMEA-UHFFFAOYSA-N -1 3 378.823 3.200 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000826472942 609287902 /nfs/dbraw/zinc/28/79/02/609287902.db2.gz DECIIQWXLIXMEA-UHFFFAOYSA-N -1 3 378.823 3.200 20 0 GGADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cc2occc2s1 ZINC000826458375 609288331 /nfs/dbraw/zinc/28/83/31/609288331.db2.gz NIDKMVLZHMHTQG-UHFFFAOYSA-N -1 3 395.379 3.252 20 0 GGADHM Cc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)cc2)o1 ZINC000826334886 609292227 /nfs/dbraw/zinc/29/22/27/609292227.db2.gz NTHKCQYJTCCXDP-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM Cc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)cc2)o1 ZINC000826334886 609292228 /nfs/dbraw/zinc/29/22/28/609292228.db2.gz NTHKCQYJTCCXDP-UHFFFAOYSA-N -1 3 381.783 3.131 20 0 GGADHM O=C(NCc1coc(-c2ccccc2)n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826443259 609292768 /nfs/dbraw/zinc/29/27/68/609292768.db2.gz IEOPISBETGMFGU-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM O=C(NCc1coc(-c2ccccc2)n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826443259 609292769 /nfs/dbraw/zinc/29/27/69/609292769.db2.gz IEOPISBETGMFGU-UHFFFAOYSA-N -1 3 380.795 3.105 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000826472793 609294181 /nfs/dbraw/zinc/29/41/81/609294181.db2.gz XFCXHMCAAZNSIP-INIZCTEOSA-N -1 3 397.866 3.342 20 0 GGADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000826472793 609294182 /nfs/dbraw/zinc/29/41/82/609294182.db2.gz XFCXHMCAAZNSIP-INIZCTEOSA-N -1 3 397.866 3.342 20 0 GGADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826340027 609295766 /nfs/dbraw/zinc/29/57/66/609295766.db2.gz DYJBDINDNIUZAH-UHFFFAOYSA-N -1 3 379.405 3.071 20 0 GGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825782289 609299919 /nfs/dbraw/zinc/29/99/19/609299919.db2.gz AYLSNGRPELTZGU-NSHDSACASA-N -1 3 395.854 3.381 20 0 GGADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825782289 609299920 /nfs/dbraw/zinc/29/99/20/609299920.db2.gz AYLSNGRPELTZGU-NSHDSACASA-N -1 3 395.854 3.381 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nn1-c1ccc(Cl)cc1 ZINC000539790922 609301788 /nfs/dbraw/zinc/30/17/88/609301788.db2.gz OVYXSHPATWLWBM-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(Cl)cc1 ZINC000539790922 609301789 /nfs/dbraw/zinc/30/17/89/609301789.db2.gz OVYXSHPATWLWBM-UHFFFAOYSA-N -1 3 379.811 3.267 20 0 GGADHM COc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000826209941 609302460 /nfs/dbraw/zinc/30/24/60/609302460.db2.gz XHJMJPKYACBAOY-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM COc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000826209941 609302461 /nfs/dbraw/zinc/30/24/61/609302461.db2.gz XHJMJPKYACBAOY-UHFFFAOYSA-N -1 3 388.387 3.315 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826333949 609305103 /nfs/dbraw/zinc/30/51/03/609305103.db2.gz AUNGYVHPTDDJAR-SSDOTTSWSA-N -1 3 399.402 3.046 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826333949 609305104 /nfs/dbraw/zinc/30/51/04/609305104.db2.gz AUNGYVHPTDDJAR-SSDOTTSWSA-N -1 3 399.402 3.046 20 0 GGADHM CC(C)COCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824270806 609307252 /nfs/dbraw/zinc/30/72/52/609307252.db2.gz HGISXABLSUEFMY-UHFFFAOYSA-N -1 3 395.463 3.452 20 0 GGADHM CC(C)COCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824270806 609307253 /nfs/dbraw/zinc/30/72/53/609307253.db2.gz HGISXABLSUEFMY-UHFFFAOYSA-N -1 3 395.463 3.452 20 0 GGADHM Cc1nnc(SCC(=O)c2ccc(CC(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000826336908 609308786 /nfs/dbraw/zinc/30/87/86/609308786.db2.gz UAHYFZGLAUFKFZ-UHFFFAOYSA-N -1 3 382.493 3.447 20 0 GGADHM Cc1nnc(SCC(=O)c2ccc(CC(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000826336908 609308787 /nfs/dbraw/zinc/30/87/87/609308787.db2.gz UAHYFZGLAUFKFZ-UHFFFAOYSA-N -1 3 382.493 3.447 20 0 GGADHM O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826427376 609312015 /nfs/dbraw/zinc/31/20/15/609312015.db2.gz NQKZWLKMQVWZDL-OAHLLOKOSA-N -1 3 386.337 3.381 20 0 GGADHM O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826427376 609312016 /nfs/dbraw/zinc/31/20/16/609312016.db2.gz NQKZWLKMQVWZDL-OAHLLOKOSA-N -1 3 386.337 3.381 20 0 GGADHM CCO[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825583287 609314280 /nfs/dbraw/zinc/31/42/80/609314280.db2.gz SURZGCRDYBUXDP-HNNXBMFYSA-N -1 3 393.447 3.300 20 0 GGADHM CCO[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825583287 609314282 /nfs/dbraw/zinc/31/42/82/609314282.db2.gz SURZGCRDYBUXDP-HNNXBMFYSA-N -1 3 393.447 3.300 20 0 GGADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000826154923 609314671 /nfs/dbraw/zinc/31/46/71/609314671.db2.gz ASYFWERNBAYLFV-CYBMUJFWSA-N -1 3 396.451 3.364 20 0 GGADHM CCCn1nc(C)c(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1C ZINC000825362729 609319792 /nfs/dbraw/zinc/31/97/92/609319792.db2.gz QQXDTCQCOSYNFY-UHFFFAOYSA-N -1 3 395.446 3.027 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824085161 609321455 /nfs/dbraw/zinc/32/14/55/609321455.db2.gz CXVSNBZBCQRFBG-LBPRGKRZSA-N -1 3 387.431 3.442 20 0 GGADHM CC(C)(C)C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824085161 609321457 /nfs/dbraw/zinc/32/14/57/609321457.db2.gz CXVSNBZBCQRFBG-LBPRGKRZSA-N -1 3 387.431 3.442 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000824746532 609323644 /nfs/dbraw/zinc/32/36/44/609323644.db2.gz VSNRVFOAWRLKCI-ZWNOBZJWSA-N -1 3 385.390 3.117 20 0 GGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000824746532 609323646 /nfs/dbraw/zinc/32/36/46/609323646.db2.gz VSNRVFOAWRLKCI-ZWNOBZJWSA-N -1 3 385.390 3.117 20 0 GGADHM Brc1cc(-c2nnn[n-]2)ccc1COc1ccccc1-n1ccnc1 ZINC000823820779 609326572 /nfs/dbraw/zinc/32/65/72/609326572.db2.gz LFNFRMQBGHKXGU-UHFFFAOYSA-N -1 3 397.236 3.394 20 0 GGADHM Brc1cc(-c2nn[n-]n2)ccc1COc1ccccc1-n1ccnc1 ZINC000823820779 609326574 /nfs/dbraw/zinc/32/65/74/609326574.db2.gz LFNFRMQBGHKXGU-UHFFFAOYSA-N -1 3 397.236 3.394 20 0 GGADHM O=C(NCCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826435061 609326631 /nfs/dbraw/zinc/32/66/31/609326631.db2.gz FSCIHMLQKSIZMO-UHFFFAOYSA-N -1 3 377.326 3.341 20 0 GGADHM O=C(NCCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826435061 609326633 /nfs/dbraw/zinc/32/66/33/609326633.db2.gz FSCIHMLQKSIZMO-UHFFFAOYSA-N -1 3 377.326 3.341 20 0 GGADHM Fc1cc2ncn(Cc3ccc(-c4nnn[n-]4)cc3Br)c2cc1F ZINC000826372581 609326668 /nfs/dbraw/zinc/32/66/68/609326668.db2.gz DAKJNXRRSZJLPC-UHFFFAOYSA-N -1 3 391.179 3.305 20 0 GGADHM Fc1cc2ncn(Cc3ccc(-c4nn[n-]n4)cc3Br)c2cc1F ZINC000826372581 609326670 /nfs/dbraw/zinc/32/66/70/609326670.db2.gz DAKJNXRRSZJLPC-UHFFFAOYSA-N -1 3 391.179 3.305 20 0 GGADHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1OC ZINC000826211800 609327872 /nfs/dbraw/zinc/32/78/72/609327872.db2.gz VEHMYNIDJSUHRG-UHFFFAOYSA-N -1 3 391.225 3.225 20 0 GGADHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1OC ZINC000826211800 609327873 /nfs/dbraw/zinc/32/78/73/609327873.db2.gz VEHMYNIDJSUHRG-UHFFFAOYSA-N -1 3 391.225 3.225 20 0 GGADHM O=C(N[C@H]1CCCSC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826430969 609328069 /nfs/dbraw/zinc/32/80/69/609328069.db2.gz ODYDIVYJVZPUGX-ZDUSSCGKSA-N -1 3 381.461 3.284 20 0 GGADHM O=C(N[C@H]1CCCSC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826430969 609328071 /nfs/dbraw/zinc/32/80/71/609328071.db2.gz ODYDIVYJVZPUGX-ZDUSSCGKSA-N -1 3 381.461 3.284 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824401255 609328725 /nfs/dbraw/zinc/32/87/25/609328725.db2.gz OYLDRONNDPHALI-CABCVRRESA-N -1 3 393.447 3.204 20 0 GGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824401255 609328728 /nfs/dbraw/zinc/32/87/28/609328728.db2.gz OYLDRONNDPHALI-CABCVRRESA-N -1 3 393.447 3.204 20 0 GGADHM C[C@@H](SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824753112 609330767 /nfs/dbraw/zinc/33/07/67/609330767.db2.gz CKHPHFKEHKZQTK-LLVKDONJSA-N -1 3 380.433 3.441 20 0 GGADHM C[C@@H](SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824753112 609330769 /nfs/dbraw/zinc/33/07/69/609330769.db2.gz CKHPHFKEHKZQTK-LLVKDONJSA-N -1 3 380.433 3.441 20 0 GGADHM Cc1cccc(CCCSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826297981 609332693 /nfs/dbraw/zinc/33/26/93/609332693.db2.gz YNXPGOWUDGWISF-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM Cc1cccc(CCCSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826297981 609332695 /nfs/dbraw/zinc/33/26/95/609332695.db2.gz YNXPGOWUDGWISF-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM CO[C@H]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826145625 609335590 /nfs/dbraw/zinc/33/55/90/609335590.db2.gz JYOOHTYLCPWADJ-YOEHRIQHSA-N -1 3 393.447 3.204 20 0 GGADHM CO[C@H]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826145625 609335591 /nfs/dbraw/zinc/33/55/91/609335591.db2.gz JYOOHTYLCPWADJ-YOEHRIQHSA-N -1 3 393.447 3.204 20 0 GGADHM COc1ccc(F)c(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826208993 609342636 /nfs/dbraw/zinc/34/26/36/609342636.db2.gz IWVAKOQNWVWZQI-UHFFFAOYSA-N -1 3 379.399 3.027 20 0 GGADHM COc1ccc(F)c(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826208993 609342638 /nfs/dbraw/zinc/34/26/38/609342638.db2.gz IWVAKOQNWVWZQI-UHFFFAOYSA-N -1 3 379.399 3.027 20 0 GGADHM Cc1c(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000826242465 609344416 /nfs/dbraw/zinc/34/44/16/609344416.db2.gz PZYRVNYYMBROOG-UHFFFAOYSA-N -1 3 391.483 3.040 20 0 GGADHM Cc1c(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000826242465 609344418 /nfs/dbraw/zinc/34/44/18/609344418.db2.gz PZYRVNYYMBROOG-UHFFFAOYSA-N -1 3 391.483 3.040 20 0 GGADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)[C@H]1CCc2ccccc21 ZINC000826465075 609345463 /nfs/dbraw/zinc/34/54/63/609345463.db2.gz YCCOGSILSCFUMU-HNNXBMFYSA-N -1 3 399.248 3.402 20 0 GGADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)[C@H]1CCc2ccccc21 ZINC000826465075 609345465 /nfs/dbraw/zinc/34/54/65/609345465.db2.gz YCCOGSILSCFUMU-HNNXBMFYSA-N -1 3 399.248 3.402 20 0 GGADHM C[C@@H]1CC[C@@H](CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)O1 ZINC000824906479 609347310 /nfs/dbraw/zinc/34/73/10/609347310.db2.gz BYPYUKPEPYDRGE-MFKMUULPSA-N -1 3 395.257 3.020 20 0 GGADHM C[C@@H]1CC[C@@H](CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)O1 ZINC000824906479 609347312 /nfs/dbraw/zinc/34/73/12/609347312.db2.gz BYPYUKPEPYDRGE-MFKMUULPSA-N -1 3 395.257 3.020 20 0 GGADHM CCO[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)C(C)C ZINC000825577246 609347947 /nfs/dbraw/zinc/34/79/47/609347947.db2.gz UOFXTSRCSSZLOI-AWEZNQCLSA-N -1 3 397.273 3.124 20 0 GGADHM CCO[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)C(C)C ZINC000825577246 609347949 /nfs/dbraw/zinc/34/79/49/609347949.db2.gz UOFXTSRCSSZLOI-AWEZNQCLSA-N -1 3 397.273 3.124 20 0 GGADHM Cc1c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cccc1N1CCOC1=O ZINC000826242191 609349849 /nfs/dbraw/zinc/34/98/49/609349849.db2.gz DSPKOSFANZMWID-LBPRGKRZSA-N -1 3 382.399 3.444 20 0 GGADHM Cc1c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cccc1N1CCOC1=O ZINC000826242191 609349850 /nfs/dbraw/zinc/34/98/50/609349850.db2.gz DSPKOSFANZMWID-LBPRGKRZSA-N -1 3 382.399 3.444 20 0 GGADHM Cc1noc(COc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc2)n1 ZINC000826340089 609350339 /nfs/dbraw/zinc/35/03/39/609350339.db2.gz HCMUUEQYKDTMGU-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM Cc1noc(COc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)cc2)n1 ZINC000826340089 609350340 /nfs/dbraw/zinc/35/03/40/609350340.db2.gz HCMUUEQYKDTMGU-NSHDSACASA-N -1 3 395.398 3.449 20 0 GGADHM Cc1noc([C@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826338137 609351878 /nfs/dbraw/zinc/35/18/78/609351878.db2.gz LXEVVSMOUQEHMS-NSHDSACASA-N -1 3 392.375 3.268 20 0 GGADHM Cc1noc([C@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826338137 609351880 /nfs/dbraw/zinc/35/18/80/609351880.db2.gz LXEVVSMOUQEHMS-NSHDSACASA-N -1 3 392.375 3.268 20 0 GGADHM Cc1nccn1CCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826331674 609351910 /nfs/dbraw/zinc/35/19/10/609351910.db2.gz SWQBSQQUGRYRSI-UHFFFAOYSA-N -1 3 390.403 3.021 20 0 GGADHM O=C(OCC1CCOCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462750 609353244 /nfs/dbraw/zinc/35/32/44/609353244.db2.gz HJONLIOOHQPBCM-UHFFFAOYSA-N -1 3 380.404 3.242 20 0 GGADHM O=C(OCC1CCOCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462750 609353246 /nfs/dbraw/zinc/35/32/46/609353246.db2.gz HJONLIOOHQPBCM-UHFFFAOYSA-N -1 3 380.404 3.242 20 0 GGADHM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccs1 ZINC000824505233 609355300 /nfs/dbraw/zinc/35/53/00/609355300.db2.gz ACBGJALYKIWSFM-SNVBAGLBSA-N -1 3 398.427 3.136 20 0 GGADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@]2(C)CCCOC2)CC1 ZINC000826254258 609356435 /nfs/dbraw/zinc/35/64/35/609356435.db2.gz BSWVKEAXJJXRHS-MYKUNDNFSA-N -1 3 399.495 3.258 20 0 GGADHM Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826333143 609357219 /nfs/dbraw/zinc/35/72/19/609357219.db2.gz VYFSVNJUZPTQRD-ZDUSSCGKSA-N -1 3 388.435 3.244 20 0 GGADHM Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826333143 609357222 /nfs/dbraw/zinc/35/72/22/609357222.db2.gz VYFSVNJUZPTQRD-ZDUSSCGKSA-N -1 3 388.435 3.244 20 0 GGADHM CN(CC1CCCCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825908930 609361820 /nfs/dbraw/zinc/36/18/20/609361820.db2.gz OKAZZVJDXPWXPL-UHFFFAOYSA-N -1 3 398.446 3.236 20 0 GGADHM FC(F)(F)C1CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826367596 609362204 /nfs/dbraw/zinc/36/22/04/609362204.db2.gz GJCPYKASMNMYNT-UHFFFAOYSA-N -1 3 390.207 3.404 20 0 GGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824937288 609362968 /nfs/dbraw/zinc/36/29/68/609362968.db2.gz PEOZCEKEEJTBOK-JSGCOSHPSA-N -1 3 398.446 3.234 20 0 GGADHM CCC1(C)CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC000825165167 609363661 /nfs/dbraw/zinc/36/36/61/609363661.db2.gz UXEUCRFQOVSOBC-UHFFFAOYSA-N -1 3 398.446 3.236 20 0 GGADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825061084 609363749 /nfs/dbraw/zinc/36/37/49/609363749.db2.gz WGQOYRGEGDUCTC-VXGBXAGGSA-N -1 3 386.435 3.138 20 0 GGADHM c1nn(-c2ccccc2)c2ncnc(SCc3ccccc3-c3nnn[n-]3)c12 ZINC000826519537 609367497 /nfs/dbraw/zinc/36/74/97/609367497.db2.gz CGIXPVBTBRLVFV-UHFFFAOYSA-N -1 3 386.444 3.288 20 0 GGADHM c1nn(-c2ccccc2)c2ncnc(SCc3ccccc3-c3nn[n-]n3)c12 ZINC000826519537 609367499 /nfs/dbraw/zinc/36/74/99/609367499.db2.gz CGIXPVBTBRLVFV-UHFFFAOYSA-N -1 3 386.444 3.288 20 0 GGADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cncc(F)c1 ZINC000824523343 609367850 /nfs/dbraw/zinc/36/78/50/609367850.db2.gz ZTWWGKWUFHAIAV-QMMMGPOBSA-N -1 3 377.836 3.102 20 0 GGADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncc(F)c1 ZINC000824523343 609367852 /nfs/dbraw/zinc/36/78/52/609367852.db2.gz ZTWWGKWUFHAIAV-QMMMGPOBSA-N -1 3 377.836 3.102 20 0 GGADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000826167931 609371852 /nfs/dbraw/zinc/37/18/52/609371852.db2.gz WHEWGGWGHRROOF-SMDDNHRTSA-N -1 3 394.859 3.275 20 0 GGADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000826167931 609371853 /nfs/dbraw/zinc/37/18/53/609371853.db2.gz WHEWGGWGHRROOF-SMDDNHRTSA-N -1 3 394.859 3.275 20 0 GGADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(OC2CCCC2)nc1 ZINC000826460536 609372554 /nfs/dbraw/zinc/37/25/54/609372554.db2.gz HFVXQLZFONABNT-UHFFFAOYSA-N -1 3 396.476 3.386 20 0 GGADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(OC2CCCC2)nc1 ZINC000826460536 609372557 /nfs/dbraw/zinc/37/25/57/609372557.db2.gz HFVXQLZFONABNT-UHFFFAOYSA-N -1 3 396.476 3.386 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CCO1 ZINC000824215533 609375120 /nfs/dbraw/zinc/37/51/20/609375120.db2.gz LCQKHKBAGCJSDX-MJGOQNOKSA-N -1 3 385.512 3.445 20 0 GGADHM CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CCO1 ZINC000824215533 609375123 /nfs/dbraw/zinc/37/51/23/609375123.db2.gz LCQKHKBAGCJSDX-MJGOQNOKSA-N -1 3 385.512 3.445 20 0 GGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000825183363 609380038 /nfs/dbraw/zinc/38/00/38/609380038.db2.gz OEHLVDZCDNRWAB-CMPLNLGQSA-N -1 3 381.383 3.002 20 0 GGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000825183363 609380039 /nfs/dbraw/zinc/38/00/39/609380039.db2.gz OEHLVDZCDNRWAB-CMPLNLGQSA-N -1 3 381.383 3.002 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC000825332789 609382899 /nfs/dbraw/zinc/38/28/99/609382899.db2.gz MGENKTGWGRYCNR-LBPRGKRZSA-N -1 3 382.472 3.417 20 0 GGADHM CC(C)(C)C[C@H](O)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824086543 609383333 /nfs/dbraw/zinc/38/33/33/609383333.db2.gz NFCIIZDJCDLYEH-AWEZNQCLSA-N -1 3 395.463 3.186 20 0 GGADHM CC(C)(C)C[C@H](O)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824086543 609383336 /nfs/dbraw/zinc/38/33/36/609383336.db2.gz NFCIIZDJCDLYEH-AWEZNQCLSA-N -1 3 395.463 3.186 20 0 GGADHM C[C@@H](O)CC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824690001 609385465 /nfs/dbraw/zinc/38/54/65/609385465.db2.gz OTSSDVOVDOLBIX-CQSZACIVSA-N -1 3 395.463 3.186 20 0 GGADHM C[C@@H](O)CC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824690001 609385468 /nfs/dbraw/zinc/38/54/68/609385468.db2.gz OTSSDVOVDOLBIX-CQSZACIVSA-N -1 3 395.463 3.186 20 0 GGADHM CCOC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825590202 609386182 /nfs/dbraw/zinc/38/61/82/609386182.db2.gz PPWNLHWLPYOJOG-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM CCOC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825590202 609386183 /nfs/dbraw/zinc/38/61/83/609386183.db2.gz PPWNLHWLPYOJOG-HNNXBMFYSA-N -1 3 393.447 3.158 20 0 GGADHM C[C@@H]1CC[C@H](COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)O1 ZINC000824908377 609387898 /nfs/dbraw/zinc/38/78/98/609387898.db2.gz OHAPGBLQFHEWNT-ZIAGYGMSSA-N -1 3 380.404 3.383 20 0 GGADHM C[C@@H]1CC[C@H](COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)O1 ZINC000824908377 609387899 /nfs/dbraw/zinc/38/78/99/609387899.db2.gz OHAPGBLQFHEWNT-ZIAGYGMSSA-N -1 3 380.404 3.383 20 0 GGADHM CCC[C@H](CCO)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825241815 609388371 /nfs/dbraw/zinc/38/83/71/609388371.db2.gz ALUCGKGEKMCMFC-OAHLLOKOSA-N -1 3 395.463 3.188 20 0 GGADHM CCC[C@H](CCO)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825241815 609388372 /nfs/dbraw/zinc/38/83/72/609388372.db2.gz ALUCGKGEKMCMFC-OAHLLOKOSA-N -1 3 395.463 3.188 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824957764 609401129 /nfs/dbraw/zinc/40/11/29/609401129.db2.gz ZKZLQMJWUFEYIJ-AUUYWEPGSA-N -1 3 395.438 3.266 20 0 GGADHM C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824957764 609401132 /nfs/dbraw/zinc/40/11/32/609401132.db2.gz ZKZLQMJWUFEYIJ-AUUYWEPGSA-N -1 3 395.438 3.266 20 0 GGADHM CC(C)[C@H]1C[C@@H](COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824217061 609407026 /nfs/dbraw/zinc/40/70/26/609407026.db2.gz XRPQLLKUPHZQDE-DOTOQJQBSA-N -1 3 390.509 3.094 20 0 GGADHM CC(C)[C@H]1C[C@@H](COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824217061 609407027 /nfs/dbraw/zinc/40/70/27/609407027.db2.gz XRPQLLKUPHZQDE-DOTOQJQBSA-N -1 3 390.509 3.094 20 0 GGADHM CC(C)[C@@H]1C[C@H](COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824217064 609407044 /nfs/dbraw/zinc/40/70/44/609407044.db2.gz XRPQLLKUPHZQDE-WBVHZDCISA-N -1 3 390.509 3.094 20 0 GGADHM CC(C)[C@@H]1C[C@H](COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824217064 609407046 /nfs/dbraw/zinc/40/70/46/609407046.db2.gz XRPQLLKUPHZQDE-WBVHZDCISA-N -1 3 390.509 3.094 20 0 GGADHM CC(C)Oc1cc(F)ccc1N[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824319388 609407769 /nfs/dbraw/zinc/40/77/69/609407769.db2.gz OHSNJEVPJWMOJW-GFCCVEGCSA-N -1 3 384.415 3.232 20 0 GGADHM CC(C)Oc1cc(F)ccc1N[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824319388 609407771 /nfs/dbraw/zinc/40/77/71/609407771.db2.gz OHSNJEVPJWMOJW-GFCCVEGCSA-N -1 3 384.415 3.232 20 0 GGADHM COc1ccc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826211581 609417235 /nfs/dbraw/zinc/41/72/35/609417235.db2.gz LOKAJEZOYUXDHP-KRWDZBQOSA-N -1 3 381.461 3.163 20 0 GGADHM COc1ccc(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826211581 609417238 /nfs/dbraw/zinc/41/72/38/609417238.db2.gz LOKAJEZOYUXDHP-KRWDZBQOSA-N -1 3 381.461 3.163 20 0 GGADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455149 609421662 /nfs/dbraw/zinc/42/16/62/609421662.db2.gz AZDGUCDQDMZTHE-UHFFFAOYSA-N -1 3 377.433 3.134 20 0 GGADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455149 609421665 /nfs/dbraw/zinc/42/16/65/609421665.db2.gz AZDGUCDQDMZTHE-UHFFFAOYSA-N -1 3 377.433 3.134 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c21 ZINC000826217368 609423069 /nfs/dbraw/zinc/42/30/69/609423069.db2.gz JMPKOXAPJYVIJH-UHFFFAOYSA-N -1 3 382.811 3.191 20 0 GGADHM COc1cccc2[nH]cc(CC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c21 ZINC000826217368 609423071 /nfs/dbraw/zinc/42/30/71/609423071.db2.gz JMPKOXAPJYVIJH-UHFFFAOYSA-N -1 3 382.811 3.191 20 0 GGADHM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454031 609435775 /nfs/dbraw/zinc/43/57/75/609435775.db2.gz HQTAGRUCTPLMJM-UHFFFAOYSA-N -1 3 397.414 3.105 20 0 GGADHM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454031 609435778 /nfs/dbraw/zinc/43/57/78/609435778.db2.gz HQTAGRUCTPLMJM-UHFFFAOYSA-N -1 3 397.414 3.105 20 0 GGADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCCCN(CC(F)(F)F)C(C)C)n1 ZINC000826324526 609435799 /nfs/dbraw/zinc/43/57/99/609435799.db2.gz VPLZAJKVUQNCEB-UHFFFAOYSA-N -1 3 389.451 3.028 20 0 GGADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCCCN(CC(F)(F)F)C(C)C)n1 ZINC000826324526 609435801 /nfs/dbraw/zinc/43/58/01/609435801.db2.gz VPLZAJKVUQNCEB-UHFFFAOYSA-N -1 3 389.451 3.028 20 0 GGADHM CC(C)Oc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824319324 609439285 /nfs/dbraw/zinc/43/92/85/609439285.db2.gz LWVPCKOONLGAJX-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CC(C)Oc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824319324 609439288 /nfs/dbraw/zinc/43/92/88/609439288.db2.gz LWVPCKOONLGAJX-UHFFFAOYSA-N -1 3 395.398 3.455 20 0 GGADHM CSCCCCCCNC(=S)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826228116 609444395 /nfs/dbraw/zinc/44/43/95/609444395.db2.gz FJTLGVRHFCMYBJ-UHFFFAOYSA-N -1 3 378.571 3.096 20 0 GGADHM CSCCCCCCNC(=S)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826228116 609444397 /nfs/dbraw/zinc/44/43/97/609444397.db2.gz FJTLGVRHFCMYBJ-UHFFFAOYSA-N -1 3 378.571 3.096 20 0 GGADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000826512080 609445395 /nfs/dbraw/zinc/44/53/95/609445395.db2.gz NSLGUYVLAXLIPA-CYBMUJFWSA-N -1 3 399.911 3.177 20 0 GGADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000826512080 609445398 /nfs/dbraw/zinc/44/53/98/609445398.db2.gz NSLGUYVLAXLIPA-CYBMUJFWSA-N -1 3 399.911 3.177 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000826256484 609446446 /nfs/dbraw/zinc/44/64/46/609446446.db2.gz LONILEYBHDKOTM-UHFFFAOYSA-N -1 3 386.253 3.143 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000826256484 609446447 /nfs/dbraw/zinc/44/64/47/609446447.db2.gz LONILEYBHDKOTM-UHFFFAOYSA-N -1 3 386.253 3.143 20 0 GGADHM COc1cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc(OC)c1C(C)C ZINC000826181410 609446527 /nfs/dbraw/zinc/44/65/27/609446527.db2.gz YKIRXXPGVMHDMZ-UHFFFAOYSA-N -1 3 393.451 3.267 20 0 GGADHM COc1cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc(OC)c1C(C)C ZINC000826181410 609446529 /nfs/dbraw/zinc/44/65/29/609446529.db2.gz YKIRXXPGVMHDMZ-UHFFFAOYSA-N -1 3 393.451 3.267 20 0 GGADHM Clc1ncc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)s1 ZINC000826351419 609446969 /nfs/dbraw/zinc/44/69/69/609446969.db2.gz LWQAOPMDSVAGGU-UHFFFAOYSA-N -1 3 393.263 3.428 20 0 GGADHM Clc1ncc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)s1 ZINC000826351419 609446971 /nfs/dbraw/zinc/44/69/71/609446971.db2.gz LWQAOPMDSVAGGU-UHFFFAOYSA-N -1 3 393.263 3.428 20 0 GGADHM CCCCc1noc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)n1 ZINC000825296816 609447622 /nfs/dbraw/zinc/44/76/22/609447622.db2.gz VXYNFVNSEFJFIK-UHFFFAOYSA-N -1 3 399.846 3.044 20 0 GGADHM CCCCc1noc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)n1 ZINC000825296816 609447624 /nfs/dbraw/zinc/44/76/24/609447624.db2.gz VXYNFVNSEFJFIK-UHFFFAOYSA-N -1 3 399.846 3.044 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)CC3 ZINC000826293710 609449287 /nfs/dbraw/zinc/44/92/87/609449287.db2.gz ZAEIUYJGNWOFRZ-OAHLLOKOSA-N -1 3 387.447 3.335 20 0 GGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)CC3 ZINC000826293710 609449289 /nfs/dbraw/zinc/44/92/89/609449289.db2.gz ZAEIUYJGNWOFRZ-OAHLLOKOSA-N -1 3 387.447 3.335 20 0 GGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825106376 609452353 /nfs/dbraw/zinc/45/23/53/609452353.db2.gz BARSYCWAUBAVJK-XWIAVFTESA-N -1 3 386.500 3.211 20 0 GGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825106376 609452355 /nfs/dbraw/zinc/45/23/55/609452355.db2.gz BARSYCWAUBAVJK-XWIAVFTESA-N -1 3 386.500 3.211 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826256295 609452912 /nfs/dbraw/zinc/45/29/12/609452912.db2.gz BZKMWGHSIZAGOD-UHFFFAOYSA-N -1 3 386.253 3.427 20 0 GGADHM Cc1cc(Br)ccc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826256295 609452913 /nfs/dbraw/zinc/45/29/13/609452913.db2.gz BZKMWGHSIZAGOD-UHFFFAOYSA-N -1 3 386.253 3.427 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)Nc1cccc(Cl)c1 ZINC000826443961 609453721 /nfs/dbraw/zinc/45/37/21/609453721.db2.gz LHFWVJHVTJHHJT-UHFFFAOYSA-N -1 3 394.826 3.232 20 0 GGADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)Nc1cccc(Cl)c1 ZINC000826443961 609453724 /nfs/dbraw/zinc/45/37/24/609453724.db2.gz LHFWVJHVTJHHJT-UHFFFAOYSA-N -1 3 394.826 3.232 20 0 GGADHM C[C@@H]1COc2ccccc2CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825006224 609454247 /nfs/dbraw/zinc/45/42/47/609454247.db2.gz GQRJIBDGRQAGDZ-CYBMUJFWSA-N -1 3 395.467 3.238 20 0 GGADHM C[C@@H]1COc2ccccc2CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825006224 609454249 /nfs/dbraw/zinc/45/42/49/609454249.db2.gz GQRJIBDGRQAGDZ-CYBMUJFWSA-N -1 3 395.467 3.238 20 0 GGADHM C[C@@H](NC(=O)Nc1ccncc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824506701 609454670 /nfs/dbraw/zinc/45/46/70/609454670.db2.gz PWIRJLHCUYRZBY-CQSZACIVSA-N -1 3 385.431 3.233 20 0 GGADHM C[C@@H](NC(=O)Nc1ccncc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824506701 609454673 /nfs/dbraw/zinc/45/46/73/609454673.db2.gz PWIRJLHCUYRZBY-CQSZACIVSA-N -1 3 385.431 3.233 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)CC[C@H](C)OC)cc1 ZINC000826176228 609455722 /nfs/dbraw/zinc/45/57/22/609455722.db2.gz HCAKPZZREPDXSE-ZDUSSCGKSA-N -1 3 397.435 3.421 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)CC[C@H](C)OC)cc1 ZINC000826176228 609455724 /nfs/dbraw/zinc/45/57/24/609455724.db2.gz HCAKPZZREPDXSE-ZDUSSCGKSA-N -1 3 397.435 3.421 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826208925 609458638 /nfs/dbraw/zinc/45/86/38/609458638.db2.gz GBSQOCCFSWXASS-UHFFFAOYSA-N -1 3 380.433 3.112 20 0 GGADHM COc1ccc(N(Cc2cccs2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826208925 609458640 /nfs/dbraw/zinc/45/86/40/609458640.db2.gz GBSQOCCFSWXASS-UHFFFAOYSA-N -1 3 380.433 3.112 20 0 GGADHM Cc1cc(C)c(-c2csc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)n2)c(C)c1 ZINC000826262393 609459632 /nfs/dbraw/zinc/45/96/32/609459632.db2.gz NPYWNNVOHOXESM-UHFFFAOYSA-N -1 3 379.449 3.496 20 0 GGADHM Cc1cc(C)c(-c2csc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)c(C)c1 ZINC000826262393 609459633 /nfs/dbraw/zinc/45/96/33/609459633.db2.gz NPYWNNVOHOXESM-UHFFFAOYSA-N -1 3 379.449 3.496 20 0 GGADHM Cc1ccc(C[C@H](C)C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826286695 609459720 /nfs/dbraw/zinc/45/97/20/609459720.db2.gz MPLJFGUJLDUFHA-HNNXBMFYSA-N -1 3 387.447 3.178 20 0 GGADHM FC(F)(F)COc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826367733 609460081 /nfs/dbraw/zinc/46/00/81/609460081.db2.gz LSJGFHDVWPUOIB-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM FC(F)(F)COc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826367733 609460083 /nfs/dbraw/zinc/46/00/83/609460083.db2.gz LSJGFHDVWPUOIB-UHFFFAOYSA-N -1 3 389.341 3.068 20 0 GGADHM Oc1ccc(CCC2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000826511077 609460336 /nfs/dbraw/zinc/46/03/36/609460336.db2.gz AZYYBSHBVMHJDT-UHFFFAOYSA-N -1 3 389.463 3.069 20 0 GGADHM Oc1ccc(CCC2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826511077 609460339 /nfs/dbraw/zinc/46/03/39/609460339.db2.gz AZYYBSHBVMHJDT-UHFFFAOYSA-N -1 3 389.463 3.069 20 0 GGADHM COc1cc(C)c([C@@H](C)Nc2nc3ccccn3c2-c2nnn[n-]2)cc1OC ZINC000826178339 609462392 /nfs/dbraw/zinc/46/23/92/609462392.db2.gz TWMQPGDYOWCFOA-GFCCVEGCSA-N -1 3 379.424 3.013 20 0 GGADHM COc1cc(C)c([C@@H](C)Nc2nc3ccccn3c2-c2nn[n-]n2)cc1OC ZINC000826178339 609462394 /nfs/dbraw/zinc/46/23/94/609462394.db2.gz TWMQPGDYOWCFOA-GFCCVEGCSA-N -1 3 379.424 3.013 20 0 GGADHM CCC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCOCC1 ZINC000825158994 609464474 /nfs/dbraw/zinc/46/44/74/609464474.db2.gz GQTGWQUNTKNWPW-UHFFFAOYSA-N -1 3 397.504 3.418 20 0 GGADHM c1c2ccccc2[nH]c1C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826522672 609467400 /nfs/dbraw/zinc/46/74/00/609467400.db2.gz JTWLNAVXNQJDDM-UHFFFAOYSA-N -1 3 384.447 3.380 20 0 GGADHM c1c2ccccc2[nH]c1C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826522672 609467401 /nfs/dbraw/zinc/46/74/01/609467401.db2.gz JTWLNAVXNQJDDM-UHFFFAOYSA-N -1 3 384.447 3.380 20 0 GGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825626670 609476454 /nfs/dbraw/zinc/47/64/54/609476454.db2.gz OPMBSMLJXAUJTQ-UHFFFAOYSA-N -1 3 388.472 3.077 20 0 GGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825626670 609476455 /nfs/dbraw/zinc/47/64/55/609476455.db2.gz OPMBSMLJXAUJTQ-UHFFFAOYSA-N -1 3 388.472 3.077 20 0 GGADHM CCCc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCC1 ZINC000542353930 609477007 /nfs/dbraw/zinc/47/70/07/609477007.db2.gz OMWXKEJVEUESJC-UHFFFAOYSA-N -1 3 379.468 3.061 20 0 GGADHM CCCc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCC1 ZINC000542353930 609477010 /nfs/dbraw/zinc/47/70/10/609477010.db2.gz OMWXKEJVEUESJC-UHFFFAOYSA-N -1 3 379.468 3.061 20 0 GGADHM COc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(Br)c1 ZINC000826210526 609479208 /nfs/dbraw/zinc/47/92/08/609479208.db2.gz VJULOVMYFRQQSA-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(Br)c1 ZINC000826210526 609479209 /nfs/dbraw/zinc/47/92/09/609479209.db2.gz VJULOVMYFRQQSA-UHFFFAOYSA-N -1 3 378.205 3.389 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000826186805 609482096 /nfs/dbraw/zinc/48/20/96/609482096.db2.gz LJGWKOZNTVOSMM-QGZVFWFLSA-N -1 3 381.436 3.045 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000826186805 609482099 /nfs/dbraw/zinc/48/20/99/609482099.db2.gz LJGWKOZNTVOSMM-QGZVFWFLSA-N -1 3 381.436 3.045 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCOc1ccccc1Cl ZINC000826161999 609483260 /nfs/dbraw/zinc/48/32/60/609483260.db2.gz JDDXADIYIIGBOF-UHFFFAOYSA-N -1 3 389.843 3.036 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCOc1ccccc1Cl ZINC000826161999 609483261 /nfs/dbraw/zinc/48/32/61/609483261.db2.gz JDDXADIYIIGBOF-UHFFFAOYSA-N -1 3 389.843 3.036 20 0 GGADHM Fc1cc(NCC2CCOCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372883 609484727 /nfs/dbraw/zinc/48/47/27/609484727.db2.gz PMPHHKNGAOYYPX-UHFFFAOYSA-N -1 3 383.427 3.423 20 0 GGADHM Fc1cc(NCC2CCOCC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372883 609484729 /nfs/dbraw/zinc/48/47/29/609484729.db2.gz PMPHHKNGAOYYPX-UHFFFAOYSA-N -1 3 383.427 3.423 20 0 GGADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(F)c1Cl ZINC000826162930 609486292 /nfs/dbraw/zinc/48/62/92/609486292.db2.gz YUHCLGXZWDDMBP-UHFFFAOYSA-N -1 3 377.807 3.297 20 0 GGADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(F)c1Cl ZINC000826162930 609486296 /nfs/dbraw/zinc/48/62/96/609486296.db2.gz YUHCLGXZWDDMBP-UHFFFAOYSA-N -1 3 377.807 3.297 20 0 GGADHM CCOC(=O)Nc1ccc(NCC2=Cc3ccccc3OC2)cc1-c1nnn[n-]1 ZINC000825552529 609487371 /nfs/dbraw/zinc/48/73/71/609487371.db2.gz AADNWGSKGTVFBE-UHFFFAOYSA-N -1 3 392.419 3.323 20 0 GGADHM CCOC(=O)Nc1ccc(NCC2=Cc3ccccc3OC2)cc1-c1nn[n-]n1 ZINC000825552529 609487373 /nfs/dbraw/zinc/48/73/73/609487373.db2.gz AADNWGSKGTVFBE-UHFFFAOYSA-N -1 3 392.419 3.323 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2cc(F)c(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000825553198 609488532 /nfs/dbraw/zinc/48/85/32/609488532.db2.gz MKTOZOGMKIKOGK-UHFFFAOYSA-N -1 3 392.341 3.465 20 0 GGADHM CCOC(=O)Nc1ccc(NCc2cc(F)c(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000825553198 609488533 /nfs/dbraw/zinc/48/85/33/609488533.db2.gz MKTOZOGMKIKOGK-UHFFFAOYSA-N -1 3 392.341 3.465 20 0 GGADHM Clc1cc(CSCCNc2ncc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000826350617 609489374 /nfs/dbraw/zinc/48/93/74/609489374.db2.gz DNTVIYGSOISGDU-UHFFFAOYSA-N -1 3 382.280 3.309 20 0 GGADHM Clc1cc(CSCCNc2ncc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000826350617 609489377 /nfs/dbraw/zinc/48/93/77/609489377.db2.gz DNTVIYGSOISGDU-UHFFFAOYSA-N -1 3 382.280 3.309 20 0 GGADHM Cc1ccc(CCCSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826287091 609490707 /nfs/dbraw/zinc/49/07/07/609490707.db2.gz CCHHMJSSDCIFBY-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM Cc1ccc(CCCSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826287091 609490709 /nfs/dbraw/zinc/49/07/09/609490709.db2.gz CCHHMJSSDCIFBY-UHFFFAOYSA-N -1 3 381.505 3.157 20 0 GGADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1cccc(-c2nnn[n-]2)c1 ZINC000826389009 609490849 /nfs/dbraw/zinc/49/08/49/609490849.db2.gz OHNMPTSISVQYNL-AWEZNQCLSA-N -1 3 393.394 3.074 20 0 GGADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1cccc(-c2nn[n-]n2)c1 ZINC000826389009 609490852 /nfs/dbraw/zinc/49/08/52/609490852.db2.gz OHNMPTSISVQYNL-AWEZNQCLSA-N -1 3 393.394 3.074 20 0 GGADHM Cc1ccncc1C=CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826315611 609490991 /nfs/dbraw/zinc/49/09/91/609490991.db2.gz NRRFLRLJKADIIA-XBXARRHUSA-N -1 3 399.414 3.409 20 0 GGADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)COc1ccccc1C(F)(F)F ZINC000826278673 609492711 /nfs/dbraw/zinc/49/27/11/609492711.db2.gz NUTFLVFBBSZLNR-CYBMUJFWSA-N -1 3 394.353 3.013 20 0 GGADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)COc1ccccc1C(F)(F)F ZINC000826278673 609492713 /nfs/dbraw/zinc/49/27/13/609492713.db2.gz NUTFLVFBBSZLNR-CYBMUJFWSA-N -1 3 394.353 3.013 20 0 GGADHM O[C@H](COc1c(F)cc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503998 609493412 /nfs/dbraw/zinc/49/34/12/609493412.db2.gz LDXCGHJETQALSU-CYBMUJFWSA-N -1 3 397.179 3.020 20 0 GGADHM O[C@H](COc1c(F)cc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503998 609493415 /nfs/dbraw/zinc/49/34/15/609493415.db2.gz LDXCGHJETQALSU-CYBMUJFWSA-N -1 3 397.179 3.020 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)NC12CCC(CC1)C2 ZINC000826460200 609496341 /nfs/dbraw/zinc/49/63/41/609496341.db2.gz RBGDXEJNNBRIFT-UHFFFAOYSA-N -1 3 395.492 3.368 20 0 GGADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)NC12CCC(CC1)C2 ZINC000826460200 609496343 /nfs/dbraw/zinc/49/63/43/609496343.db2.gz RBGDXEJNNBRIFT-UHFFFAOYSA-N -1 3 395.492 3.368 20 0 GGADHM COc1ccc(C2(CNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC000826190138 609496781 /nfs/dbraw/zinc/49/67/81/609496781.db2.gz QPGDYRFRQGQPQR-UHFFFAOYSA-N -1 3 378.436 3.119 20 0 GGADHM COc1ccc(C2(CNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC000826190138 609496784 /nfs/dbraw/zinc/49/67/84/609496784.db2.gz QPGDYRFRQGQPQR-UHFFFAOYSA-N -1 3 378.436 3.119 20 0 GGADHM CCCc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cnn1C1CCCC1 ZINC000825348574 609499474 /nfs/dbraw/zinc/49/94/74/609499474.db2.gz QOIVEBYIUDSIPR-UHFFFAOYSA-N -1 3 395.467 3.392 20 0 GGADHM CCCc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cnn1C1CCCC1 ZINC000825348574 609499476 /nfs/dbraw/zinc/49/94/76/609499476.db2.gz QOIVEBYIUDSIPR-UHFFFAOYSA-N -1 3 395.467 3.392 20 0 GGADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826416641 609501698 /nfs/dbraw/zinc/50/16/98/609501698.db2.gz IQUCFIANBFKHNU-UHFFFAOYSA-N -1 3 397.438 3.325 20 0 GGADHM O=C(Cc1ccncc1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826423966 609501818 /nfs/dbraw/zinc/50/18/18/609501818.db2.gz PSVLZWKXRAHUPX-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM O=C(Cc1ccncc1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826423966 609501821 /nfs/dbraw/zinc/50/18/21/609501821.db2.gz PSVLZWKXRAHUPX-UHFFFAOYSA-N -1 3 386.415 3.022 20 0 GGADHM COCc1noc([C@@H](C)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826166186 609502641 /nfs/dbraw/zinc/50/26/41/609502641.db2.gz YIRDUFQWLGVGDP-GFCCVEGCSA-N -1 3 378.392 3.203 20 0 GGADHM COCc1noc([C@@H](C)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826166186 609502643 /nfs/dbraw/zinc/50/26/43/609502643.db2.gz YIRDUFQWLGVGDP-GFCCVEGCSA-N -1 3 378.392 3.203 20 0 GGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(Cc2cccc(F)c2)n1 ZINC000508606955 609505638 /nfs/dbraw/zinc/50/56/38/609505638.db2.gz UESQDAVYOSXQKQ-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(Cc2cccc(F)c2)n1 ZINC000508606955 609505639 /nfs/dbraw/zinc/50/56/39/609505639.db2.gz UESQDAVYOSXQKQ-UHFFFAOYSA-N -1 3 380.408 3.305 20 0 GGADHM CCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825439808 609506285 /nfs/dbraw/zinc/50/62/85/609506285.db2.gz PCEBKOZITWHAMQ-UHFFFAOYSA-N -1 3 387.447 3.023 20 0 GGADHM CCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825439808 609506286 /nfs/dbraw/zinc/50/62/86/609506286.db2.gz PCEBKOZITWHAMQ-UHFFFAOYSA-N -1 3 387.447 3.023 20 0 GGADHM Cc1cc(C(=O)NC2CCCCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259631 609507284 /nfs/dbraw/zinc/50/72/84/609507284.db2.gz YNUAKHJWBLNVJX-UHFFFAOYSA-N -1 3 379.468 3.204 20 0 GGADHM Cc1cc(C(=O)NC2CCCCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259631 609507286 /nfs/dbraw/zinc/50/72/86/609507286.db2.gz YNUAKHJWBLNVJX-UHFFFAOYSA-N -1 3 379.468 3.204 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824532620 609509261 /nfs/dbraw/zinc/50/92/61/609509261.db2.gz VVQNGNMMQGYGAU-MCIONIFRSA-N -1 3 394.454 3.023 20 0 GGADHM Cc1cc(-c2nc(Cc3ccccc3)no2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826243144 609510769 /nfs/dbraw/zinc/51/07/69/609510769.db2.gz WMIOTGVJOUFBIU-UHFFFAOYSA-N -1 3 384.403 3.002 20 0 GGADHM Cc1cc(-c2nc(Cc3ccccc3)no2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826243144 609510771 /nfs/dbraw/zinc/51/07/71/609510771.db2.gz WMIOTGVJOUFBIU-UHFFFAOYSA-N -1 3 384.403 3.002 20 0 GGADHM Cc1cc(C(=O)Nc2ccc3ccccc3n2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260649 609513003 /nfs/dbraw/zinc/51/30/03/609513003.db2.gz YYDZZHWJOGVCDX-UHFFFAOYSA-N -1 3 396.414 3.161 20 0 GGADHM Cc1cc(C(=O)Nc2ccc3ccccc3n2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260649 609513005 /nfs/dbraw/zinc/51/30/05/609513005.db2.gz YYDZZHWJOGVCDX-UHFFFAOYSA-N -1 3 396.414 3.161 20 0 GGADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCc2ccccc2OC)n1 ZINC000825560278 609514467 /nfs/dbraw/zinc/51/44/67/609514467.db2.gz OXTUOPNAOBZUGE-UHFFFAOYSA-N -1 3 399.476 3.172 20 0 GGADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCc2ccccc2OC)n1 ZINC000825560278 609514469 /nfs/dbraw/zinc/51/44/69/609514469.db2.gz OXTUOPNAOBZUGE-UHFFFAOYSA-N -1 3 399.476 3.172 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427676 609516619 /nfs/dbraw/zinc/51/66/19/609516619.db2.gz WWWGGIGZQRVKSN-CYBMUJFWSA-N -1 3 383.280 3.178 20 0 GGADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427676 609516621 /nfs/dbraw/zinc/51/66/21/609516621.db2.gz WWWGGIGZQRVKSN-CYBMUJFWSA-N -1 3 383.280 3.178 20 0 GGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000826427119 609516634 /nfs/dbraw/zinc/51/66/34/609516634.db2.gz GQDZNDQMQTWVHM-NSHDSACASA-N -1 3 389.309 3.240 20 0 GGADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000826427119 609516636 /nfs/dbraw/zinc/51/66/36/609516636.db2.gz GQDZNDQMQTWVHM-NSHDSACASA-N -1 3 389.309 3.240 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCO1 ZINC000825182710 609516897 /nfs/dbraw/zinc/51/68/97/609516897.db2.gz LUHCUIAOXLATOG-HUUCEWRRSA-N -1 3 398.492 3.058 20 0 GGADHM CC[C@@H]1C[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCO1 ZINC000825182710 609516898 /nfs/dbraw/zinc/51/68/98/609516898.db2.gz LUHCUIAOXLATOG-HUUCEWRRSA-N -1 3 398.492 3.058 20 0 GGADHM Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257185 609517830 /nfs/dbraw/zinc/51/78/30/609517830.db2.gz RJFLQTBMWGNNKA-HXUWFJFHSA-N -1 3 399.458 3.120 20 0 GGADHM Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257185 609517831 /nfs/dbraw/zinc/51/78/31/609517831.db2.gz RJFLQTBMWGNNKA-HXUWFJFHSA-N -1 3 399.458 3.120 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2ccnc2C(C)C)c1-c1nnn[n-]1 ZINC000826233931 609518230 /nfs/dbraw/zinc/51/82/30/609518230.db2.gz AGLAAGOEBIZIKO-UHFFFAOYSA-N -1 3 396.499 3.359 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2ccnc2C(C)C)c1-c1nn[n-]n1 ZINC000826233931 609518233 /nfs/dbraw/zinc/51/82/33/609518233.db2.gz AGLAAGOEBIZIKO-UHFFFAOYSA-N -1 3 396.499 3.359 20 0 GGADHM CCC1CCC(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000825195404 609519724 /nfs/dbraw/zinc/51/97/24/609519724.db2.gz WZLYTMVHSLCYGI-UHFFFAOYSA-N -1 3 379.468 3.059 20 0 GGADHM CCC1CCC(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000825195404 609519726 /nfs/dbraw/zinc/51/97/26/609519726.db2.gz WZLYTMVHSLCYGI-UHFFFAOYSA-N -1 3 379.468 3.059 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506331137 609520616 /nfs/dbraw/zinc/52/06/16/609520616.db2.gz NEOMPZQJEMPTBF-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506331137 609520617 /nfs/dbraw/zinc/52/06/17/609520617.db2.gz NEOMPZQJEMPTBF-UHFFFAOYSA-N -1 3 398.398 3.198 20 0 GGADHM Cc1cc(C)c(NC(=O)CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c(C)c1 ZINC000826263878 609520981 /nfs/dbraw/zinc/52/09/81/609520981.db2.gz UHRQIBXCOOINRJ-UHFFFAOYSA-N -1 3 385.859 3.199 20 0 GGADHM Cc1cc(C)c(NC(=O)CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c(C)c1 ZINC000826263878 609520982 /nfs/dbraw/zinc/52/09/82/609520982.db2.gz UHRQIBXCOOINRJ-UHFFFAOYSA-N -1 3 385.859 3.199 20 0 GGADHM C[C@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824513249 609521340 /nfs/dbraw/zinc/52/13/40/609521340.db2.gz AJBBHNHWHWQVTA-LIRRHRJNSA-N -1 3 377.448 3.252 20 0 GGADHM C[C@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824513249 609521341 /nfs/dbraw/zinc/52/13/41/609521341.db2.gz AJBBHNHWHWQVTA-LIRRHRJNSA-N -1 3 377.448 3.252 20 0 GGADHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256911 609522301 /nfs/dbraw/zinc/52/23/01/609522301.db2.gz GAOBQVJGEVBJBS-XJKSGUPXSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256911 609522302 /nfs/dbraw/zinc/52/23/02/609522302.db2.gz GAOBQVJGEVBJBS-XJKSGUPXSA-N -1 3 379.468 3.012 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCO1 ZINC000825252594 609523731 /nfs/dbraw/zinc/52/37/31/609523731.db2.gz JLFQBAUNZDGSOB-OALUTQOASA-N -1 3 385.512 3.447 20 0 GGADHM CCC[C@H]1C[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCO1 ZINC000825252594 609523732 /nfs/dbraw/zinc/52/37/32/609523732.db2.gz JLFQBAUNZDGSOB-OALUTQOASA-N -1 3 385.512 3.447 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccc(NC(=O)C(C)C)cc2)c1-c1nnn[n-]1 ZINC000826240095 609527526 /nfs/dbraw/zinc/52/75/26/609527526.db2.gz BMUBFPVPFOAFHP-UHFFFAOYSA-N -1 3 385.859 3.430 20 0 GGADHM Cc1c(Cl)cnc(NCc2ccc(NC(=O)C(C)C)cc2)c1-c1nn[n-]n1 ZINC000826240095 609527527 /nfs/dbraw/zinc/52/75/27/609527527.db2.gz BMUBFPVPFOAFHP-UHFFFAOYSA-N -1 3 385.859 3.430 20 0 GGADHM CCCCNC(=O)c1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000825290644 609533665 /nfs/dbraw/zinc/53/36/65/609533665.db2.gz CIRRCFKYPSMWBE-UHFFFAOYSA-N -1 3 399.886 3.366 20 0 GGADHM CCCCNC(=O)c1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000825290644 609533667 /nfs/dbraw/zinc/53/36/67/609533667.db2.gz CIRRCFKYPSMWBE-UHFFFAOYSA-N -1 3 399.886 3.366 20 0 GGADHM CC(C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000824347540 609533837 /nfs/dbraw/zinc/53/38/37/609533837.db2.gz CLLNAMCVZUNDDI-UHFFFAOYSA-N -1 3 378.841 3.411 20 0 GGADHM CC(C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000824347540 609533839 /nfs/dbraw/zinc/53/38/39/609533839.db2.gz CLLNAMCVZUNDDI-UHFFFAOYSA-N -1 3 378.841 3.411 20 0 GGADHM O=S(=O)(Oc1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493432 609535524 /nfs/dbraw/zinc/53/55/24/609535524.db2.gz KFISUKIBSYTKFH-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM O=S(=O)(Oc1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493432 609535525 /nfs/dbraw/zinc/53/55/25/609535525.db2.gz KFISUKIBSYTKFH-UHFFFAOYSA-N -1 3 389.195 3.080 20 0 GGADHM COc1cc(CNc2nccc(C)c2-c2nnn[n-]2)ccc1OCC(F)(F)F ZINC000826179801 609536291 /nfs/dbraw/zinc/53/62/91/609536291.db2.gz FFHUWGZTFGKCSE-UHFFFAOYSA-N -1 3 394.357 3.132 20 0 GGADHM COc1cc(CNc2nccc(C)c2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000826179801 609536292 /nfs/dbraw/zinc/53/62/92/609536292.db2.gz FFHUWGZTFGKCSE-UHFFFAOYSA-N -1 3 394.357 3.132 20 0 GGADHM CCOc1cc(CNc2nccc(C)c2-c2nnn[n-]2)ccc1OC(F)F ZINC000825616048 609536791 /nfs/dbraw/zinc/53/67/91/609536791.db2.gz UUZIWEBGUAILOQ-UHFFFAOYSA-N -1 3 376.367 3.182 20 0 GGADHM CCOc1cc(CNc2nccc(C)c2-c2nn[n-]n2)ccc1OC(F)F ZINC000825616048 609536792 /nfs/dbraw/zinc/53/67/92/609536792.db2.gz UUZIWEBGUAILOQ-UHFFFAOYSA-N -1 3 376.367 3.182 20 0 GGADHM Cc1c(Cl)cnc(N2CCCC[C@@H]2c2noc(C3CC3)n2)c1-c1nnn[n-]1 ZINC000826238018 609537588 /nfs/dbraw/zinc/53/75/88/609537588.db2.gz TXJOEBCFOSSPBR-GFCCVEGCSA-N -1 3 386.847 3.216 20 0 GGADHM Cc1c(Cl)cnc(N2CCCC[C@@H]2c2noc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826238018 609537589 /nfs/dbraw/zinc/53/75/89/609537589.db2.gz TXJOEBCFOSSPBR-GFCCVEGCSA-N -1 3 386.847 3.216 20 0 GGADHM COc1ccc(-n2ccc(CNc3ncc(Cl)c(C)c3-c3nnn[n-]3)n2)cc1 ZINC000826186691 609539482 /nfs/dbraw/zinc/53/94/82/609539482.db2.gz HEBHYRFVMZUQFG-UHFFFAOYSA-N -1 3 396.842 3.030 20 0 GGADHM COc1ccc(-n2ccc(CNc3ncc(Cl)c(C)c3-c3nn[n-]n3)n2)cc1 ZINC000826186691 609539484 /nfs/dbraw/zinc/53/94/84/609539484.db2.gz HEBHYRFVMZUQFG-UHFFFAOYSA-N -1 3 396.842 3.030 20 0 GGADHM COc1ccccc1N1CCC(Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000826220593 609542392 /nfs/dbraw/zinc/54/23/92/609542392.db2.gz SLFWKYBTJSJZAQ-UHFFFAOYSA-N -1 3 399.886 3.313 20 0 GGADHM COc1ccccc1N1CCC(Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000826220593 609542395 /nfs/dbraw/zinc/54/23/95/609542395.db2.gz SLFWKYBTJSJZAQ-UHFFFAOYSA-N -1 3 399.886 3.313 20 0 GGADHM COc1ccccc1N1CC[C@@H](CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826220217 609543884 /nfs/dbraw/zinc/54/38/84/609543884.db2.gz GKQBGDUHTIKQFO-ZDUSSCGKSA-N -1 3 399.886 3.171 20 0 GGADHM COc1ccccc1N1CC[C@@H](CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826220217 609543885 /nfs/dbraw/zinc/54/38/85/609543885.db2.gz GKQBGDUHTIKQFO-ZDUSSCGKSA-N -1 3 399.886 3.171 20 0 GGADHM CC(C)Oc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000824333816 609546768 /nfs/dbraw/zinc/54/67/68/609546768.db2.gz NIFPNORWYGPVMW-UHFFFAOYSA-N -1 3 394.840 3.075 20 0 GGADHM CC(C)Oc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000824333816 609546769 /nfs/dbraw/zinc/54/67/69/609546769.db2.gz NIFPNORWYGPVMW-UHFFFAOYSA-N -1 3 394.840 3.075 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000826292403 609550714 /nfs/dbraw/zinc/55/07/14/609550714.db2.gz TYEZSKFVSUGXCK-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000826292403 609550717 /nfs/dbraw/zinc/55/07/17/609550717.db2.gz TYEZSKFVSUGXCK-UHFFFAOYSA-N -1 3 385.232 3.250 20 0 GGADHM C[C@H]1CC(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C[C@H](C)C1 ZINC000824877594 609559623 /nfs/dbraw/zinc/55/96/23/609559623.db2.gz YYDZXTASBFQORG-HUUCEWRRSA-N -1 3 383.496 3.309 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H]2C(C)(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258031 609562650 /nfs/dbraw/zinc/56/26/50/609562650.db2.gz XIOROMHILXGKTJ-KRWDZBQOSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H]2C(C)(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258031 609562653 /nfs/dbraw/zinc/56/26/53/609562653.db2.gz XIOROMHILXGKTJ-KRWDZBQOSA-N -1 3 379.468 3.012 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826237759 609563786 /nfs/dbraw/zinc/56/37/86/609563786.db2.gz KOMXLCVFRBCUIU-ZBFHGGJFSA-N -1 3 384.871 3.316 20 0 GGADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826237759 609563788 /nfs/dbraw/zinc/56/37/88/609563788.db2.gz KOMXLCVFRBCUIU-ZBFHGGJFSA-N -1 3 384.871 3.316 20 0 GGADHM Cc1ccnc(N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826311576 609566577 /nfs/dbraw/zinc/56/65/77/609566577.db2.gz IRBGCWZQHZKKEW-LKFCYVNXSA-N -1 3 379.251 3.411 20 0 GGADHM Cc1ccnc(N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826311576 609566579 /nfs/dbraw/zinc/56/65/79/609566579.db2.gz IRBGCWZQHZKKEW-LKFCYVNXSA-N -1 3 379.251 3.411 20 0 GGADHM CCC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000825253866 609573606 /nfs/dbraw/zinc/57/36/06/609573606.db2.gz OSJAQNSDCWHKDJ-OAHLLOKOSA-N -1 3 379.468 3.013 20 0 GGADHM CCC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000825253866 609573608 /nfs/dbraw/zinc/57/36/08/609573608.db2.gz OSJAQNSDCWHKDJ-OAHLLOKOSA-N -1 3 379.468 3.013 20 0 GGADHM O=C1[C@@H](Nc2ccc3ccccc3n2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478217 609575348 /nfs/dbraw/zinc/57/53/48/609575348.db2.gz XBAKFYASXJIKBN-SFHVURJKSA-N -1 3 385.431 3.022 20 0 GGADHM O=C1[C@@H](Nc2ccc3ccccc3n2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478217 609575350 /nfs/dbraw/zinc/57/53/50/609575350.db2.gz XBAKFYASXJIKBN-SFHVURJKSA-N -1 3 385.431 3.022 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000825532900 609579543 /nfs/dbraw/zinc/57/95/43/609579543.db2.gz ZMFQHMZQHUOPIF-RYUDHWBXSA-N -1 3 386.456 3.446 20 0 GGADHM CCOC(=O)Nc1ccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000825532900 609579544 /nfs/dbraw/zinc/57/95/44/609579544.db2.gz ZMFQHMZQHUOPIF-RYUDHWBXSA-N -1 3 386.456 3.446 20 0 GGADHM Cc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257582 609583125 /nfs/dbraw/zinc/58/31/25/609583125.db2.gz HZMDZAUQBGOBBI-WTANOLMUSA-N -1 3 391.479 3.154 20 0 GGADHM Cc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257582 609583126 /nfs/dbraw/zinc/58/31/26/609583126.db2.gz HZMDZAUQBGOBBI-WTANOLMUSA-N -1 3 391.479 3.154 20 0 GGADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nc(Cc2ccccc2)cs1 ZINC000826408757 609586112 /nfs/dbraw/zinc/58/61/12/609586112.db2.gz UAXBPSZPZLNTOE-UHFFFAOYSA-N -1 3 390.472 3.485 20 0 GGADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nc(Cc2ccccc2)cs1 ZINC000826408757 609586114 /nfs/dbraw/zinc/58/61/14/609586114.db2.gz UAXBPSZPZLNTOE-UHFFFAOYSA-N -1 3 390.472 3.485 20 0 GGADHM CO[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821672172 609588109 /nfs/dbraw/zinc/58/81/09/609588109.db2.gz ATYTXLVOXQPVKD-CQSZACIVSA-N -1 3 377.326 3.212 20 0 GGADHM CO[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821672172 609588110 /nfs/dbraw/zinc/58/81/10/609588110.db2.gz ATYTXLVOXQPVKD-CQSZACIVSA-N -1 3 377.326 3.212 20 0 GGADHM COCC[C@H](Cc1ccco1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826154106 609588515 /nfs/dbraw/zinc/58/85/15/609588515.db2.gz IBGZMHFWHGDBQV-GFCCVEGCSA-N -1 3 392.257 3.282 20 0 GGADHM COCC[C@H](Cc1ccco1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826154106 609588517 /nfs/dbraw/zinc/58/85/17/609588517.db2.gz IBGZMHFWHGDBQV-GFCCVEGCSA-N -1 3 392.257 3.282 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2nsnc2c1 ZINC000826452385 609589518 /nfs/dbraw/zinc/58/95/18/609589518.db2.gz RITJDGCEHXMZGY-UHFFFAOYSA-N -1 3 391.338 3.143 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2nsnc2c1 ZINC000826452385 609589519 /nfs/dbraw/zinc/58/95/19/609589519.db2.gz RITJDGCEHXMZGY-UHFFFAOYSA-N -1 3 391.338 3.143 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](COc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489578 609592557 /nfs/dbraw/zinc/59/25/57/609592557.db2.gz LVZOHNAMAYWYMG-HZPDHXFCSA-N -1 3 392.463 3.038 20 0 GGADHM C[C@@H](NC(=O)N1CC[C@@H](COc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489578 609592558 /nfs/dbraw/zinc/59/25/58/609592558.db2.gz LVZOHNAMAYWYMG-HZPDHXFCSA-N -1 3 392.463 3.038 20 0 GGADHM CC[C@H](C)[C@@H](C)C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000825058838 609595187 /nfs/dbraw/zinc/59/51/87/609595187.db2.gz APDGHPRBLXXUSQ-DTWKUNHWSA-N -1 3 383.246 3.225 20 0 GGADHM CC[C@H](C)[C@@H](C)C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000825058838 609595188 /nfs/dbraw/zinc/59/51/88/609595188.db2.gz APDGHPRBLXXUSQ-DTWKUNHWSA-N -1 3 383.246 3.225 20 0 GGADHM Cc1cn(C2CCCCC2)nc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826316988 609595786 /nfs/dbraw/zinc/59/57/86/609595786.db2.gz IDSPHFPVUOOGDP-UHFFFAOYSA-N -1 3 379.468 3.448 20 0 GGADHM Cc1cn(C2CCCCC2)nc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826316988 609595788 /nfs/dbraw/zinc/59/57/88/609595788.db2.gz IDSPHFPVUOOGDP-UHFFFAOYSA-N -1 3 379.468 3.448 20 0 GGADHM C[C@H](CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1nccs1 ZINC000824412613 609606706 /nfs/dbraw/zinc/60/67/06/609606706.db2.gz BWDJMQMBNGPZNT-SECBINFHSA-N -1 3 387.419 3.390 20 0 GGADHM C[C@H](CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)c1nccs1 ZINC000824412613 609606708 /nfs/dbraw/zinc/60/67/08/609606708.db2.gz BWDJMQMBNGPZNT-SECBINFHSA-N -1 3 387.419 3.390 20 0 GGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncccc1-c1ccccc1 ZINC000824739656 609608589 /nfs/dbraw/zinc/60/85/89/609608589.db2.gz YUVQJDHDXKHTHD-CQSZACIVSA-N -1 3 386.415 3.335 20 0 GGADHM Cc1noc(-c2ccccc2C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826337821 609613327 /nfs/dbraw/zinc/61/33/27/609613327.db2.gz BRJVTBXEFHHUEK-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1noc(-c2ccccc2C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826337821 609613328 /nfs/dbraw/zinc/61/33/28/609613328.db2.gz BRJVTBXEFHHUEK-UHFFFAOYSA-N -1 3 396.794 3.236 20 0 GGADHM Cc1ccsc1COC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826316280 609613492 /nfs/dbraw/zinc/61/34/92/609613492.db2.gz JHTCXPIREMXQSK-UHFFFAOYSA-N -1 3 380.433 3.088 20 0 GGADHM Cc1ccsc1COC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826316280 609613493 /nfs/dbraw/zinc/61/34/93/609613493.db2.gz JHTCXPIREMXQSK-UHFFFAOYSA-N -1 3 380.433 3.088 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Br)cn1 ZINC000826465567 609615275 /nfs/dbraw/zinc/61/52/75/609615275.db2.gz SBCIDVFLNQWWTH-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Br)cn1 ZINC000826465567 609615277 /nfs/dbraw/zinc/61/52/77/609615277.db2.gz SBCIDVFLNQWWTH-UHFFFAOYSA-N -1 3 394.616 3.035 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000826465700 609615418 /nfs/dbraw/zinc/61/54/18/609615418.db2.gz YBGYMARIEKKTIL-UHFFFAOYSA-N -1 3 397.822 3.004 20 0 GGADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(N2CCCC2=O)c1 ZINC000826465700 609615420 /nfs/dbraw/zinc/61/54/20/609615420.db2.gz YBGYMARIEKKTIL-UHFFFAOYSA-N -1 3 397.822 3.004 20 0 GGADHM CCn1nc(C)c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1Cl ZINC000825806928 609617246 /nfs/dbraw/zinc/61/72/46/609617246.db2.gz KGMGSSQVRVXTJS-UHFFFAOYSA-N -1 3 381.223 3.055 20 0 GGADHM CCn1nc(C)c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1Cl ZINC000825806928 609617247 /nfs/dbraw/zinc/61/72/47/609617247.db2.gz KGMGSSQVRVXTJS-UHFFFAOYSA-N -1 3 381.223 3.055 20 0 GGADHM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826215474 609617314 /nfs/dbraw/zinc/61/73/14/609617314.db2.gz PQXPHZCEMFUPAI-WBVHZDCISA-N -1 3 384.823 3.376 20 0 GGADHM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826215474 609617315 /nfs/dbraw/zinc/61/73/15/609617315.db2.gz PQXPHZCEMFUPAI-WBVHZDCISA-N -1 3 384.823 3.376 20 0 GGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824521590 609622342 /nfs/dbraw/zinc/62/23/42/609622342.db2.gz LDJJBNVEECBZHD-LSDHHAIUSA-N -1 3 377.448 3.079 20 0 GGADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824521590 609622343 /nfs/dbraw/zinc/62/23/43/609622343.db2.gz LDJJBNVEECBZHD-LSDHHAIUSA-N -1 3 377.448 3.079 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cnc1N1CCCC[C@@H]1C ZINC000826270832 609622801 /nfs/dbraw/zinc/62/28/01/609622801.db2.gz QOUBPAUKNQWDNE-LBPRGKRZSA-N -1 3 383.481 3.263 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cnc1N1CCCC[C@@H]1C ZINC000826270832 609622802 /nfs/dbraw/zinc/62/28/02/609622802.db2.gz QOUBPAUKNQWDNE-LBPRGKRZSA-N -1 3 383.481 3.263 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cnc1N1CCCC[C@H]1C ZINC000826270831 609622957 /nfs/dbraw/zinc/62/29/57/609622957.db2.gz QOUBPAUKNQWDNE-GFCCVEGCSA-N -1 3 383.481 3.263 20 0 GGADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cnc1N1CCCC[C@H]1C ZINC000826270831 609622958 /nfs/dbraw/zinc/62/29/58/609622958.db2.gz QOUBPAUKNQWDNE-GFCCVEGCSA-N -1 3 383.481 3.263 20 0 GGADHM O=C(OCCCc1cccc2ccccc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463724 609634271 /nfs/dbraw/zinc/63/42/71/609634271.db2.gz RNZGFSRNZNUPDZ-HXUWFJFHSA-N -1 3 388.427 3.229 20 0 GGADHM O=C(OCCCc1cccc2ccccc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463724 609634272 /nfs/dbraw/zinc/63/42/72/609634272.db2.gz RNZGFSRNZNUPDZ-HXUWFJFHSA-N -1 3 388.427 3.229 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465086 609638608 /nfs/dbraw/zinc/63/86/08/609638608.db2.gz YFJVLVLEQSYEKY-HXUWFJFHSA-N -1 3 386.411 3.311 20 0 GGADHM O=C(OCc1ccc(-c2ccccc2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465086 609638609 /nfs/dbraw/zinc/63/86/09/609638609.db2.gz YFJVLVLEQSYEKY-HXUWFJFHSA-N -1 3 386.411 3.311 20 0 GGADHM C[C@H]1C[C@H](C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C[C@@H](C)C1 ZINC000824877182 609640785 /nfs/dbraw/zinc/64/07/85/609640785.db2.gz WGRAIQHRFCUVIQ-JYAVWHMHSA-N -1 3 382.424 3.032 20 0 GGADHM C[C@H]1C[C@H](C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C[C@@H](C)C1 ZINC000824877182 609640787 /nfs/dbraw/zinc/64/07/87/609640787.db2.gz WGRAIQHRFCUVIQ-JYAVWHMHSA-N -1 3 382.424 3.032 20 0 GGADHM Cc1cc(SCC(=O)OC(C)C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272360 609641290 /nfs/dbraw/zinc/64/12/90/609641290.db2.gz FUHPKQZQIBPDMI-UHFFFAOYSA-N -1 3 382.449 3.020 20 0 GGADHM Cc1cc(SCC(=O)OC(C)C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272360 609641291 /nfs/dbraw/zinc/64/12/91/609641291.db2.gz FUHPKQZQIBPDMI-UHFFFAOYSA-N -1 3 382.449 3.020 20 0 GGADHM Cn1cc(Br)c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)n1 ZINC000494128169 650801852 /nfs/dbraw/zinc/80/18/52/650801852.db2.gz SRSPOMQVRDPBBB-SNAWJCMRSA-N -1 3 380.227 3.050 20 0 GGADHM COC(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[n-]1 ZINC000498869927 650867846 /nfs/dbraw/zinc/86/78/46/650867846.db2.gz ZYYJVNDTTMATEU-UHFFFAOYSA-N -1 3 389.209 3.002 20 0 GGADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1n[nH]c(C2CC2)c1Br ZINC000636352051 652800309 /nfs/dbraw/zinc/80/03/09/652800309.db2.gz HWKJXVUOCJHAOB-SSDOTTSWSA-N -1 3 384.259 3.005 20 0 GGADHM Cc1cc(CSc2ncccc2C(=O)[N-]NC(=O)c2ccccc2C)no1 ZINC000052952005 1406239244 /nfs/dbraw/zinc/23/92/44/1406239244.db2.gz AXPHLJFBHIAYLN-UHFFFAOYSA-N -1 3 382.445 3.054 20 0 GGADHM CCc1noc([C@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000053020509 1406263894 /nfs/dbraw/zinc/26/38/94/1406263894.db2.gz SRCJHIGQIGNULI-NSHDSACASA-N -1 3 378.860 3.403 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3OCCOC)c2)n1 ZINC000053060899 1406279672 /nfs/dbraw/zinc/27/96/72/1406279672.db2.gz GATDSQDRKYGNFF-UHFFFAOYSA-N -1 3 393.443 3.277 20 0 GGADHM CCSc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)ccn1 ZINC000053122428 1406301757 /nfs/dbraw/zinc/30/17/57/1406301757.db2.gz HRXUHOSKXQBMIC-UHFFFAOYSA-N -1 3 395.506 3.216 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000053519445 1406424090 /nfs/dbraw/zinc/42/40/90/1406424090.db2.gz FNBKSOKISWBEJK-UHFFFAOYSA-N -1 3 381.501 3.036 20 0 GGADHM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053525165 1406426799 /nfs/dbraw/zinc/42/67/99/1406426799.db2.gz WCVNKAUFQIAWDW-UHFFFAOYSA-N -1 3 396.863 3.247 20 0 GGADHM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000053556129 1406442525 /nfs/dbraw/zinc/44/25/25/1406442525.db2.gz JNAUKCFYYLMBDG-UHFFFAOYSA-N -1 3 389.354 3.134 20 0 GGADHM O=C(NCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1ccc([O-])cc1 ZINC000053742024 1406498734 /nfs/dbraw/zinc/49/87/34/1406498734.db2.gz JZPIXMVYJAHWEK-UHFFFAOYSA-N -1 3 394.402 3.483 20 0 GGADHM NC(=O)c1csc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000053796920 1406516267 /nfs/dbraw/zinc/51/62/67/1406516267.db2.gz LTGMAQHPQSULOG-UHFFFAOYSA-N -1 3 388.518 3.419 20 0 GGADHM COC(=O)c1sc2[n-]c(CC(=O)c3cc4ccccc4o3)nc(=O)c2c1C ZINC000053845579 1406532611 /nfs/dbraw/zinc/53/26/11/1406532611.db2.gz JZZXZYTWHGOXLD-UHFFFAOYSA-N -1 3 382.397 3.251 20 0 GGADHM COc1ccc(Oc2cc(CNC(=O)c3cc4c(cc3[O-])OCO4)ccn2)cc1 ZINC000054030907 1406593090 /nfs/dbraw/zinc/59/30/90/1406593090.db2.gz FOLVYQLBCXUGSY-UHFFFAOYSA-N -1 3 394.383 3.247 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1CO ZINC000054040998 1406600615 /nfs/dbraw/zinc/60/06/15/1406600615.db2.gz WMOYNRKBQSRUIG-UHFFFAOYSA-N -1 3 379.478 3.413 20 0 GGADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2o1 ZINC000054294398 1406684030 /nfs/dbraw/zinc/68/40/30/1406684030.db2.gz NMHSAQCGCFFECH-UHFFFAOYSA-N -1 3 385.319 3.492 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cnoc3C)c2)cc1 ZINC000054294504 1406684368 /nfs/dbraw/zinc/68/43/68/1406684368.db2.gz QXTHRMUAPOOTDP-UHFFFAOYSA-N -1 3 387.417 3.045 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000054314774 1406689116 /nfs/dbraw/zinc/68/91/16/1406689116.db2.gz LFMVAPGMHSRKQD-LBPRGKRZSA-N -1 3 382.489 3.239 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCCN(C(=O)c4ccsc4)CC3)cc(=O)oc12 ZINC000054362501 1406703035 /nfs/dbraw/zinc/70/30/35/1406703035.db2.gz BZSXAGVYJLVUFG-UHFFFAOYSA-N -1 3 398.484 3.217 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c(=O)[n-]1 ZINC000054627939 1406791284 /nfs/dbraw/zinc/79/12/84/1406791284.db2.gz VEIYFSPXKXTBRK-UHFFFAOYSA-N -1 3 387.443 3.122 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3ccc(C(F)(F)F)cn3)nc(=O)c2c1C ZINC000054753639 1406818447 /nfs/dbraw/zinc/81/84/47/1406818447.db2.gz VYYUCPMUSTUYGP-UHFFFAOYSA-N -1 3 383.351 3.084 20 0 GGADHM COC(=O)c1sc2[n-]c(Cc3coc(-c4ccccc4)n3)nc(=O)c2c1C ZINC000054753632 1406818204 /nfs/dbraw/zinc/81/82/04/1406818204.db2.gz QVVJCWYMZIAGHM-UHFFFAOYSA-N -1 3 381.413 3.325 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc2c(c1)CCC2 ZINC000054804218 1406828056 /nfs/dbraw/zinc/82/80/56/1406828056.db2.gz YTGBHVRJTBXYRM-MRXNPFEDSA-N -1 3 393.487 3.110 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000054887867 1406843448 /nfs/dbraw/zinc/84/34/48/1406843448.db2.gz ZKCZMEUJXNLPBO-UHFFFAOYSA-N -1 3 375.381 3.175 20 0 GGADHM C[C@H](NC(=S)N[N-]C(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000054959995 1406860898 /nfs/dbraw/zinc/86/08/98/1406860898.db2.gz CSAHNVMWECUSED-JTQLQIEISA-N -1 3 396.285 3.458 20 0 GGADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000055010376 1406869649 /nfs/dbraw/zinc/86/96/49/1406869649.db2.gz AXVNWOWZBGEFSB-NPQOUYBPSA-N -1 3 389.455 3.424 20 0 GGADHM O=C(NC1CCCCC1)NC1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000055027864 1406872828 /nfs/dbraw/zinc/87/28/28/1406872828.db2.gz HKDGJINZUXDDAO-UHFFFAOYSA-N -1 3 399.491 3.095 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000055093367 1406883771 /nfs/dbraw/zinc/88/37/71/1406883771.db2.gz VJIIRUIRGASGPY-QGZVFWFLSA-N -1 3 375.856 3.037 20 0 GGADHM CON(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000055106862 1406886363 /nfs/dbraw/zinc/88/63/63/1406886363.db2.gz OAFGLSNSEZRXFY-UHFFFAOYSA-N -1 3 386.832 3.222 20 0 GGADHM COc1cc(CN(C)C(=O)c2cc(NC(C)=O)ccc2[O-])ccc1OC(F)F ZINC000055106472 1406886646 /nfs/dbraw/zinc/88/66/46/1406886646.db2.gz JXDIGCDUFYNFIB-UHFFFAOYSA-N -1 3 394.374 3.233 20 0 GGADHM Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000055168019 1406897539 /nfs/dbraw/zinc/89/75/39/1406897539.db2.gz SHOQFNSBFIEGMH-UHFFFAOYSA-N -1 3 387.413 3.152 20 0 GGADHM CC(C)Oc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055218435 1406905318 /nfs/dbraw/zinc/90/53/18/1406905318.db2.gz YUEWPQWJAJQKND-ZDUSSCGKSA-N -1 3 392.477 3.042 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000055255062 1406914018 /nfs/dbraw/zinc/91/40/18/1406914018.db2.gz LYSAUMNHSSQIAG-UHFFFAOYSA-N -1 3 392.459 3.126 20 0 GGADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000055267619 1406917356 /nfs/dbraw/zinc/91/73/56/1406917356.db2.gz FDUUWASZPYJSEJ-ZDUSSCGKSA-N -1 3 387.461 3.305 20 0 GGADHM CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000003313953 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3.049 20 0 GGADHM CC(C)[C@@H](NC(=O)COC(=O)c1ccc([O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000007099555 1398598147 /nfs/dbraw/zinc/59/81/47/1398598147.db2.gz CXEACUXFPJVERX-OAQYLSRUSA-N -1 3 399.443 3.224 20 0 GGADHM O=C(COC(=O)c1ccccc1OCc1ccccc1)[N-]C(=O)c1cccs1 ZINC000007123016 1398604265 /nfs/dbraw/zinc/60/42/65/1398604265.db2.gz YVQBXABOKLDSOG-UHFFFAOYSA-N -1 3 395.436 3.441 20 0 GGADHM O=C(COC(=O)C(c1ccccc1)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000007125670 1398606407 /nfs/dbraw/zinc/60/64/07/1398606407.db2.gz QNFVUAZMJOPVML-UHFFFAOYSA-N -1 3 379.437 3.380 20 0 GGADHM C[C@@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000007154239 1398612765 /nfs/dbraw/zinc/61/27/65/1398612765.db2.gz PUAYIOPYLLEKAN-CYBMUJFWSA-N -1 3 383.477 3.014 20 0 GGADHM CC(=O)N(c1nc(C=C2SC(=O)[N-]C2=O)cs1)c1ccc(F)cc1F ZINC000007154983 1398612968 /nfs/dbraw/zinc/61/29/68/1398612968.db2.gz FLOGMBTXEMGONS-XGICHPGQSA-N -1 3 381.385 3.430 20 0 GGADHM COc1ccc(C(=O)[N-]NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(F)c1 ZINC000007219875 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GGADHM CCc1cc2c(CN3CCN(Cc4cccs4)CC3)cc(=O)oc2cc1[O-] ZINC000019540278 1399332009 /nfs/dbraw/zinc/33/20/09/1399332009.db2.gz HILVRVDNELPXGP-UHFFFAOYSA-N -1 3 384.501 3.440 20 0 GGADHM CCOc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000055618605 1407026585 /nfs/dbraw/zinc/02/65/85/1407026585.db2.gz ANNBEQMKZWDIJA-UHFFFAOYSA-N -1 3 394.468 3.472 20 0 GGADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055611059 1407024092 /nfs/dbraw/zinc/02/40/92/1407024092.db2.gz FDKNYXJSTHFHFT-UHFFFAOYSA-N -1 3 376.478 3.171 20 0 GGADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)cc1 ZINC000055612734 1407024430 /nfs/dbraw/zinc/02/44/30/1407024430.db2.gz LTIWXJVAXLAJCN-UHFFFAOYSA-N -1 3 388.489 3.477 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc4ccccc4c(=O)[nH]3)nc(=O)c2c1C ZINC000021591363 1399392719 /nfs/dbraw/zinc/39/27/19/1399392719.db2.gz AXNZZAKXSHTGPG-SNVBAGLBSA-N -1 3 395.440 3.361 20 0 GGADHM COc1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1NC(C)=O ZINC000055616036 1407025535 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3 380.429 3.463 20 0 GGADHM COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ncccc3[O-])cc2)c1 ZINC000022263610 1399448983 /nfs/dbraw/zinc/44/89/83/1399448983.db2.gz JWWLBJDAWXFJQY-UHFFFAOYSA-N -1 3 393.399 3.066 20 0 GGADHM Cc1sc2ncnc(N3CCC(C(=O)Nc4ncccc4[O-])CC3)c2c1C ZINC000022264157 1399449007 /nfs/dbraw/zinc/44/90/07/1399449007.db2.gz XANWMJQDWMOQJW-UHFFFAOYSA-N -1 3 383.477 3.264 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1OC ZINC000055631562 1407031016 /nfs/dbraw/zinc/03/10/16/1407031016.db2.gz QIDFQIHILMSFKT-MRXNPFEDSA-N -1 3 393.461 3.062 20 0 GGADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)c2cncn2-c2ccccc2)c1 ZINC000022663028 1399488385 /nfs/dbraw/zinc/48/83/85/1399488385.db2.gz LHADUUDDZCAWKA-UHFFFAOYSA-N -1 3 386.864 3.322 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCCN(C(=O)c4ccccc4)CC3)cc(=O)oc12 ZINC000023057777 1399529417 /nfs/dbraw/zinc/52/94/17/1399529417.db2.gz PWAKNFRBAWZHOC-UHFFFAOYSA-N -1 3 392.455 3.155 20 0 GGADHM COc1ccc(C(C)=O)cc1CC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000023143811 1399535075 /nfs/dbraw/zinc/53/50/75/1399535075.db2.gz XFEXEGWPZBMGEB-UHFFFAOYSA-N -1 3 395.242 3.208 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(CCOc4ccccc4)CC3)cc(=O)oc12 ZINC000023333980 1399550185 /nfs/dbraw/zinc/55/01/85/1399550185.db2.gz JVILMPIAQAHVCX-UHFFFAOYSA-N -1 3 394.471 3.004 20 0 GGADHM Nc1nc(COC(=O)c2cc3ccsc3[n-]2)nc(Nc2ccc(F)cc2)n1 ZINC000023346773 1399551313 /nfs/dbraw/zinc/55/13/13/1399551313.db2.gz DNNALDLYQXKIIF-UHFFFAOYSA-N -1 3 384.396 3.236 20 0 GGADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000023346748 1399551378 /nfs/dbraw/zinc/55/13/78/1399551378.db2.gz DUKBZRJPZWPPLQ-CQSZACIVSA-N -1 3 383.473 3.124 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nc4sccc4c(=O)n3C)cc(=O)oc12 ZINC000023524385 1399568431 /nfs/dbraw/zinc/56/84/31/1399568431.db2.gz PVOZWOSPCHKKDG-UHFFFAOYSA-N -1 3 386.454 3.408 20 0 GGADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(Cn2ccccc2=O)o1 ZINC000023742858 1399581980 /nfs/dbraw/zinc/58/19/80/1399581980.db2.gz ZDTMRDJBXZDMCN-UHFFFAOYSA-N -1 3 392.440 3.184 20 0 GGADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)N2CCCC2)cc1 ZINC000023994201 1399594636 /nfs/dbraw/zinc/59/46/36/1399594636.db2.gz VHJSEOCNEOEXND-SFHVURJKSA-N -1 3 396.459 3.089 20 0 GGADHM CCCCn1c(=O)[n-]nc1S[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000024302386 1399619975 /nfs/dbraw/zinc/61/99/75/1399619975.db2.gz WVUZJUUOOPTHDB-CYBMUJFWSA-N -1 3 387.509 3.105 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c(C)c1 ZINC000055650760 1407042558 /nfs/dbraw/zinc/04/25/58/1407042558.db2.gz HRLSOTPMXMZDKO-UHFFFAOYSA-N -1 3 388.489 3.431 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3C)ccc21 ZINC000055652237 1407043313 /nfs/dbraw/zinc/04/33/13/1407043313.db2.gz QIPKKKPWKFYECN-UHFFFAOYSA-N -1 3 388.489 3.492 20 0 GGADHM Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)c1 ZINC000024484797 1399635275 /nfs/dbraw/zinc/63/52/75/1399635275.db2.gz YHBIVVWAHIVDFE-UHFFFAOYSA-N -1 3 376.453 3.444 20 0 GGADHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1OC1CCCC1 ZINC000024506535 1399638788 /nfs/dbraw/zinc/63/87/88/1399638788.db2.gz VNJNWJMGTMUCKG-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1OC1CCCC1 ZINC000024506535 1399638793 /nfs/dbraw/zinc/63/87/93/1399638793.db2.gz VNJNWJMGTMUCKG-UHFFFAOYSA-N -1 3 379.420 3.449 20 0 GGADHM C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024545161 1399641053 /nfs/dbraw/zinc/64/10/53/1399641053.db2.gz NFYIHDQIMPZYMR-CQSZACIVSA-N -1 3 390.480 3.018 20 0 GGADHM Cc1ccc(Cl)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024559443 1399642614 /nfs/dbraw/zinc/64/26/14/1399642614.db2.gz JEZJTEKXGMCMNL-UHFFFAOYSA-N -1 3 382.844 3.481 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1OCC ZINC000024577618 1399644811 /nfs/dbraw/zinc/64/48/11/1399644811.db2.gz FDYFJUQIFBOKBM-UHFFFAOYSA-N -1 3 387.461 3.471 20 0 GGADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000024581084 1399645810 /nfs/dbraw/zinc/64/58/10/1399645810.db2.gz NRJNRYCHILVMTN-OAHLLOKOSA-N -1 3 376.445 3.454 20 0 GGADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000024581084 1399645818 /nfs/dbraw/zinc/64/58/18/1399645818.db2.gz NRJNRYCHILVMTN-OAHLLOKOSA-N -1 3 376.445 3.454 20 0 GGADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1Cl ZINC000024684009 1399656616 /nfs/dbraw/zinc/65/66/16/1399656616.db2.gz DBNCSQYCAJYXBK-LLVKDONJSA-N -1 3 396.871 3.411 20 0 GGADHM O=C(Nc1cccc2cccnc21)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024691492 1399657479 /nfs/dbraw/zinc/65/74/79/1399657479.db2.gz VTYUYJWDXSCWIH-UHFFFAOYSA-N -1 3 385.420 3.067 20 0 GGADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(F)cc1F ZINC000024693181 1399658488 /nfs/dbraw/zinc/65/84/88/1399658488.db2.gz JUNPDEFNSPLHDK-JTQLQIEISA-N -1 3 398.406 3.036 20 0 GGADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(OC)c1 ZINC000024711349 1399661344 /nfs/dbraw/zinc/66/13/44/1399661344.db2.gz IHNRCROGVWFQPM-SFHVURJKSA-N -1 3 398.475 3.335 20 0 GGADHM CCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000024744242 1399665335 /nfs/dbraw/zinc/66/53/35/1399665335.db2.gz DMZYVXPFBFHDMJ-UHFFFAOYSA-N -1 3 376.453 3.471 20 0 GGADHM CN(C)Cc1ccccc1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000024811261 1399674455 /nfs/dbraw/zinc/67/44/55/1399674455.db2.gz VWXBZCGXNJFTDI-UHFFFAOYSA-N -1 3 382.489 3.149 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CSc1nc2ccccc2s1 ZINC000024885380 1399686493 /nfs/dbraw/zinc/68/64/93/1399686493.db2.gz JYKZVLZYLAUEII-UHFFFAOYSA-N -1 3 393.515 3.399 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000024894266 1399687549 /nfs/dbraw/zinc/68/75/49/1399687549.db2.gz SDCQFBALWZUVAE-UHFFFAOYSA-N -1 3 395.387 3.393 20 0 GGADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)c1nc(N)nc(N(C)C)n1 ZINC000024962885 1399704255 /nfs/dbraw/zinc/70/42/55/1399704255.db2.gz BYPKUKQNPSXACJ-QMMMGPOBSA-N -1 3 392.489 3.107 20 0 GGADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1C ZINC000055674405 1407051230 /nfs/dbraw/zinc/05/12/30/1407051230.db2.gz KPRKPZBAJRZMRU-UHFFFAOYSA-N -1 3 390.461 3.224 20 0 GGADHM C[C@@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000025472132 1399811769 /nfs/dbraw/zinc/81/17/69/1399811769.db2.gz IEYFVKSSWGJRGQ-ZDUSSCGKSA-N -1 3 376.453 3.497 20 0 GGADHM C[C@H](C1CC1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000025716174 1399831944 /nfs/dbraw/zinc/83/19/44/1399831944.db2.gz ZFXSCSGGEJPLOE-CYBMUJFWSA-N -1 3 376.453 3.497 20 0 GGADHM C[C@@H](C1CC1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000025716168 1399832045 /nfs/dbraw/zinc/83/20/45/1399832045.db2.gz ZFXSCSGGEJPLOE-ZDUSSCGKSA-N -1 3 376.453 3.497 20 0 GGADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1 ZINC000025742609 1399833293 /nfs/dbraw/zinc/83/32/93/1399833293.db2.gz WVIBNJSPHAERMA-UHFFFAOYSA-N -1 3 387.461 3.374 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)cc1OCC ZINC000026239001 1399871948 /nfs/dbraw/zinc/87/19/48/1399871948.db2.gz JLBJETLIUCORTK-UHFFFAOYSA-N -1 3 397.424 3.211 20 0 GGADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000026238795 1399872167 /nfs/dbraw/zinc/87/21/67/1399872167.db2.gz SRYTUBFNLATWFG-UHFFFAOYSA-N -1 3 393.314 3.312 20 0 GGADHM O=C(CCCOc1cccc(Br)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026254581 1399873860 /nfs/dbraw/zinc/87/38/60/1399873860.db2.gz WRJUAHVOCGJWMO-UHFFFAOYSA-N -1 3 393.163 3.384 20 0 GGADHM O=C(CCCOc1cccc(Br)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026254581 1399873863 /nfs/dbraw/zinc/87/38/63/1399873863.db2.gz WRJUAHVOCGJWMO-UHFFFAOYSA-N -1 3 393.163 3.384 20 0 GGADHM Cn1ccc(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)c1 ZINC000026429574 1399888531 /nfs/dbraw/zinc/88/85/31/1399888531.db2.gz BAEIBHTWAAMUBX-UHFFFAOYSA-N -1 3 399.863 3.076 20 0 GGADHM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000026527437 1399897236 /nfs/dbraw/zinc/89/72/36/1399897236.db2.gz OGKJFUWBURCRRB-UHFFFAOYSA-N -1 3 380.274 3.198 20 0 GGADHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000026625005 1399911157 /nfs/dbraw/zinc/91/11/57/1399911157.db2.gz KDBJFGQQICVXLS-JTQLQIEISA-N -1 3 378.215 3.094 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN(C(=O)CCC4CCCC4)CC3)cc(=O)oc12 ZINC000027122551 1399987406 /nfs/dbraw/zinc/98/74/06/1399987406.db2.gz HBEXECWOPZLHQT-UHFFFAOYSA-N -1 3 398.503 3.422 20 0 GGADHM COc1ccc(C(=O)[N-]NC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)c(F)c1 ZINC000027202470 1400003630 /nfs/dbraw/zinc/00/36/30/1400003630.db2.gz DQALPUNFEAZHRJ-LBPRGKRZSA-N -1 3 394.830 3.333 20 0 GGADHM Cc1ccccc1C1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCOCC1 ZINC000055761372 1407077379 /nfs/dbraw/zinc/07/73/79/1407077379.db2.gz MPMQJHVILHVLNA-UHFFFAOYSA-N -1 3 376.456 3.315 20 0 GGADHM CCN(CC)C(=O)COc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000027441629 1400039998 /nfs/dbraw/zinc/03/99/98/1400039998.db2.gz XQDXQIQGGNFEMO-UHFFFAOYSA-N -1 3 393.443 3.028 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCc2ccccc2C1 ZINC000028059856 1400124805 /nfs/dbraw/zinc/12/48/05/1400124805.db2.gz HJPQPDOZLIWWML-UHFFFAOYSA-N -1 3 380.460 3.080 20 0 GGADHM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000028251828 1400143004 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1404235310 /nfs/dbraw/zinc/23/53/10/1404235310.db2.gz HRKBYTZURMHMIY-UHFFFAOYSA-N -1 3 396.459 3.014 20 0 GGADHM CCOC(=O)c1sc2ncnc([N-]c3nc(CC(=O)OC)cs3)c2c1C ZINC000045913820 1404241257 /nfs/dbraw/zinc/24/12/57/1404241257.db2.gz FBHDMTQTRWKNOY-UHFFFAOYSA-N -1 3 392.462 3.092 20 0 GGADHM Cc1ccsc1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045926362 1404243941 /nfs/dbraw/zinc/24/39/41/1404243941.db2.gz CUFYWSJGUHJYFL-UHFFFAOYSA-N -1 3 384.498 3.202 20 0 GGADHM O=C(NCc1ccnc(OC2CCCC2)c1)N[N-]C(=O)c1ccccc1Cl ZINC000045928915 1404244453 /nfs/dbraw/zinc/24/44/53/1404244453.db2.gz FBPCLXRFECTUPY-UHFFFAOYSA-N -1 3 388.855 3.201 20 0 GGADHM COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1F ZINC000045989965 1404265468 /nfs/dbraw/zinc/26/54/68/1404265468.db2.gz BZQQSQCCYDEGJV-UHFFFAOYSA-N -1 3 398.431 3.303 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(F)c2)ccc1F ZINC000046001114 1404268642 /nfs/dbraw/zinc/26/86/42/1404268642.db2.gz OHXYWYMAUGGIEP-UHFFFAOYSA-N -1 3 386.807 3.335 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc43)c2)n1 ZINC000046067668 1404288906 /nfs/dbraw/zinc/28/89/06/1404288906.db2.gz JGLWCDGEQJZOAI-UHFFFAOYSA-N -1 3 386.411 3.093 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1F ZINC000046112291 1404299771 /nfs/dbraw/zinc/29/97/71/1404299771.db2.gz BOJCKLCFSDFOBC-UHFFFAOYSA-N -1 3 376.453 3.105 20 0 GGADHM CSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000046114157 1404300839 /nfs/dbraw/zinc/30/08/39/1404300839.db2.gz LOZBUTACBTWILD-UHFFFAOYSA-N -1 3 382.482 3.487 20 0 GGADHM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046145519 1404311543 /nfs/dbraw/zinc/31/15/43/1404311543.db2.gz AMMAVOOZQWSNKC-UHFFFAOYSA-N -1 3 390.480 3.414 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCSc2ccccc2)ccc1F ZINC000046166522 1404317288 /nfs/dbraw/zinc/31/72/88/1404317288.db2.gz QTFGFOSKUXCPKL-UHFFFAOYSA-N -1 3 396.509 3.035 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)ccc1F ZINC000046178315 1404321996 /nfs/dbraw/zinc/32/19/96/1404321996.db2.gz GDMCTPMPKIIDRZ-ZDUSSCGKSA-N -1 3 396.459 3.485 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1C ZINC000046197207 1404328448 /nfs/dbraw/zinc/32/84/48/1404328448.db2.gz KXBAQUUPHIUYPK-UHFFFAOYSA-N -1 3 378.469 3.488 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CCCCC2)ccc1F ZINC000046212661 1404333110 /nfs/dbraw/zinc/33/31/10/1404333110.db2.gz DNBUQTSXRBWTQE-UHFFFAOYSA-N -1 3 382.501 3.450 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)sc2C)ccc1F ZINC000046239542 1404341732 /nfs/dbraw/zinc/34/17/32/1404341732.db2.gz GPXABDQGYLHCEE-LBPRGKRZSA-N -1 3 396.509 3.459 20 0 GGADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc(C)sc2C)ccc1F ZINC000046239540 1404341910 /nfs/dbraw/zinc/34/19/10/1404341910.db2.gz GPXABDQGYLHCEE-GFCCVEGCSA-N -1 3 396.509 3.459 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cc(F)ccc32)ccc1F ZINC000046295161 1404355350 /nfs/dbraw/zinc/35/53/50/1404355350.db2.gz ROAFRNGKTOOBEI-UHFFFAOYSA-N -1 3 394.443 3.245 20 0 GGADHM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000046303375 1404356710 /nfs/dbraw/zinc/35/67/10/1404356710.db2.gz JPKXCXDPDYUQSD-UHFFFAOYSA-N -1 3 386.517 3.387 20 0 GGADHM COc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c([O-])c1 ZINC000046315201 1404361180 /nfs/dbraw/zinc/36/11/80/1404361180.db2.gz YFNSZFLTQQSORA-UHFFFAOYSA-N -1 3 389.455 3.289 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccc1F ZINC000046318396 1404362412 /nfs/dbraw/zinc/36/24/12/1404362412.db2.gz KRMDAZUQTQIJNS-HOCLYGCPSA-N -1 3 382.501 3.165 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccs2)ccc1F ZINC000046321877 1404364642 /nfs/dbraw/zinc/36/46/42/1404364642.db2.gz QISAOJRRQUHEQH-LBPRGKRZSA-N -1 3 384.498 3.407 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2SCc2c(C)noc2C)n1 ZINC000046365438 1404385553 /nfs/dbraw/zinc/38/55/53/1404385553.db2.gz DVGZFOIQYRCHDP-UHFFFAOYSA-N -1 3 385.449 3.139 20 0 GGADHM COc1cc[n-]c(=NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000046365511 1404385748 /nfs/dbraw/zinc/38/57/48/1404385748.db2.gz VEMOOJBOAPGOMG-UHFFFAOYSA-N -1 3 380.370 3.459 20 0 GGADHM COc1cc[n-]c(=NNC(=O)c2ccccc2SCc2csc(C)n2)n1 ZINC000046364870 1404386118 /nfs/dbraw/zinc/38/61/18/1404386118.db2.gz DBTHRFCJZYMKNE-UHFFFAOYSA-N -1 3 387.490 3.299 20 0 GGADHM Cn1c2ccccc2c(Cl)c1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000046401067 1404399263 /nfs/dbraw/zinc/39/92/63/1404399263.db2.gz KASDDWJMUYSARR-UHFFFAOYSA-N -1 3 376.821 3.007 20 0 GGADHM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000046412630 1404406298 /nfs/dbraw/zinc/40/62/98/1404406298.db2.gz NRVNEZIKDCLKRJ-GXTWGEPZSA-N -1 3 385.464 3.013 20 0 GGADHM Cc1ccc(Nc2nc(COC(=O)Cc3c(C)nc(C)[n-]c3=O)cs2)cc1 ZINC000046414368 1404407219 /nfs/dbraw/zinc/40/72/19/1404407219.db2.gz CLYHMJFAZMVJFZ-UHFFFAOYSA-N -1 3 384.461 3.181 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(=O)c1ccc[nH]1 ZINC000046452010 1404423198 /nfs/dbraw/zinc/42/31/98/1404423198.db2.gz YLAGLPIFMTVXOA-IBGZPJMESA-N -1 3 392.411 3.008 20 0 GGADHM CCOc1cc(F)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046520425 1404458542 /nfs/dbraw/zinc/45/85/42/1404458542.db2.gz CXAJOHXCERLCPV-UHFFFAOYSA-N -1 3 398.431 3.303 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)s1 ZINC000046598034 1404498984 /nfs/dbraw/zinc/49/89/84/1404498984.db2.gz PHOLGIGXHDRCNG-LBPRGKRZSA-N -1 3 393.896 3.336 20 0 GGADHM COc1cc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)ccc1OC(C)C ZINC000046670228 1404542056 /nfs/dbraw/zinc/54/20/56/1404542056.db2.gz MHVFIASLVGZNHB-ZDUSSCGKSA-N -1 3 389.427 3.327 20 0 GGADHM CCCOc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cc1OC ZINC000046674960 1404545372 /nfs/dbraw/zinc/54/53/72/1404545372.db2.gz BDWDKKUURWFEEI-CYBMUJFWSA-N -1 3 389.427 3.328 20 0 GGADHM CC[C@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccccc1OC(F)F ZINC000046684603 1404551270 /nfs/dbraw/zinc/55/12/70/1404551270.db2.gz IBQZTVJIEGPQMK-ZDUSSCGKSA-N -1 3 379.363 3.089 20 0 GGADHM CCCC(=O)Nc1cccc(CNC(=O)N[N-]C(=O)c2ccccc2Cl)c1 ZINC000046850833 1404611574 /nfs/dbraw/zinc/61/15/74/1404611574.db2.gz OSCHTLHGTZDFRA-UHFFFAOYSA-N -1 3 388.855 3.223 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000056748077 1407417889 /nfs/dbraw/zinc/41/78/89/1407417889.db2.gz ADHZABZUZKWSIF-AWEZNQCLSA-N -1 3 380.423 3.042 20 0 GGADHM CC(C)[C@@H](CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000047043010 1404685684 /nfs/dbraw/zinc/68/56/84/1404685684.db2.gz SCUZNEDQEUDBGI-OAQYLSRUSA-N -1 3 395.503 3.299 20 0 GGADHM O=C(NCc1csc(Br)c1)N[N-]C(=O)c1ccccc1Cl ZINC000047042894 1404685739 /nfs/dbraw/zinc/68/57/39/1404685739.db2.gz WIJDYRAUENCNBP-UHFFFAOYSA-N -1 3 388.674 3.308 20 0 GGADHM CSc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000047053776 1404689323 /nfs/dbraw/zinc/68/93/23/1404689323.db2.gz OHEYEUOUURCPMB-OAHLLOKOSA-N -1 3 399.516 3.343 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826506485 1425727250 /nfs/dbraw/zinc/72/72/50/1425727250.db2.gz VQLUAWLJZKDMDV-GXTWGEPZSA-N -1 3 395.410 3.255 20 0 GGADHM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826506485 1425727256 /nfs/dbraw/zinc/72/72/56/1425727256.db2.gz VQLUAWLJZKDMDV-GXTWGEPZSA-N -1 3 395.410 3.255 20 0 GGADHM O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268904 1404777812 /nfs/dbraw/zinc/77/78/12/1404777812.db2.gz QBDYRVODBZQPMX-UHFFFAOYSA-N -1 3 391.399 3.024 20 0 GGADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCCCC1 ZINC000047271552 1404778908 /nfs/dbraw/zinc/77/89/08/1404778908.db2.gz GNNLIADNRYTEKV-UHFFFAOYSA-N -1 3 379.457 3.359 20 0 GGADHM Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)sc1C ZINC000047297106 1404793238 /nfs/dbraw/zinc/79/32/38/1404793238.db2.gz UYFLIMSVVCPKKK-UHFFFAOYSA-N -1 3 394.453 3.280 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3cccc(F)c3)cs2)o1 ZINC000047443896 1404839056 /nfs/dbraw/zinc/83/90/56/1404839056.db2.gz SMTQCSZKIYAUEF-UHFFFAOYSA-N -1 3 395.437 3.045 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c(C)c1 ZINC000047454463 1404842555 /nfs/dbraw/zinc/84/25/55/1404842555.db2.gz DFCNHVIWRQCNAE-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000047454270 1404842717 /nfs/dbraw/zinc/84/27/17/1404842717.db2.gz SUGNNVYEPZNWMF-UHFFFAOYSA-N -1 3 381.450 3.139 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cnn(C)c3)c2)cc1 ZINC000047529964 1404859618 /nfs/dbraw/zinc/85/96/18/1404859618.db2.gz PJMOVMKSHNHXEZ-UHFFFAOYSA-N -1 3 384.461 3.090 20 0 GGADHM O=C(NCCNc1nn2cc(-c3ccccc3)nc2s1)c1ccc([O-])cc1 ZINC000047538029 1404861472 /nfs/dbraw/zinc/86/14/72/1404861472.db2.gz ZGMOYIMORRCURI-UHFFFAOYSA-N -1 3 379.445 3.005 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC000047587466 1404873719 /nfs/dbraw/zinc/87/37/19/1404873719.db2.gz DIUFDKDMLVMOQL-UHFFFAOYSA-N -1 3 375.381 3.105 20 0 GGADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn(-c4ccccc4)nn3)nc(=O)c2c1C ZINC000047767468 1404934503 /nfs/dbraw/zinc/93/45/03/1404934503.db2.gz LJPFBNIYIHBJCD-LLVKDONJSA-N -1 3 395.444 3.100 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000176271205 1428211967 /nfs/dbraw/zinc/21/19/67/1428211967.db2.gz MNPFGNISANTQFG-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000176270906 1428212075 /nfs/dbraw/zinc/21/20/75/1428212075.db2.gz GRTSYWAWODDPBB-UHFFFAOYSA-N -1 3 380.488 3.262 20 0 GGADHM CSc1ncc(C(=O)N[N-]C(=O)c2ccccc2Cl)n1-c1ccccc1 ZINC000047983326 1405016788 /nfs/dbraw/zinc/01/67/88/1405016788.db2.gz KDTNYUICISDCTI-UHFFFAOYSA-N -1 3 386.864 3.322 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000736288382 1426380274 /nfs/dbraw/zinc/38/02/74/1426380274.db2.gz BGJDQLYEPREHFV-NUJGCVRESA-N -1 3 390.491 3.319 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000736288382 1426380276 /nfs/dbraw/zinc/38/02/76/1426380276.db2.gz BGJDQLYEPREHFV-NUJGCVRESA-N -1 3 390.491 3.319 20 0 GGADHM COc1cc(CN(C)C(=O)c2cc3c(cc2[O-])OCO3)ccc1OC(F)F ZINC000048170247 1405084296 /nfs/dbraw/zinc/08/42/96/1405084296.db2.gz QRWHLMNSACNZQM-UHFFFAOYSA-N -1 3 381.331 3.003 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3CCC3)ccc2C)cc1 ZINC000048181788 1405088259 /nfs/dbraw/zinc/08/82/59/1405088259.db2.gz WDFRDMQMJDEUEG-UHFFFAOYSA-N -1 3 388.489 3.334 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000048230988 1405108231 /nfs/dbraw/zinc/10/82/31/1405108231.db2.gz ZRXLPEZYZIXGGQ-UHFFFAOYSA-N -1 3 377.441 3.185 20 0 GGADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000048246122 1405112608 /nfs/dbraw/zinc/11/26/08/1405112608.db2.gz GVBMUQMUNLXQRH-OAHLLOKOSA-N -1 3 388.489 3.193 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3ccc(OC)cc3)c2)n1 ZINC000049301834 1405362170 /nfs/dbraw/zinc/36/21/70/1405362170.db2.gz JWHAVRXQGCAPLC-UHFFFAOYSA-N -1 3 393.443 3.416 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)n1 ZINC000049302020 1405362227 /nfs/dbraw/zinc/36/22/27/1405362227.db2.gz OHJBMCLZFQBXIF-UHFFFAOYSA-N -1 3 387.395 3.358 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc4c(c3)OCO4)c2)n1 ZINC000049302018 1405362266 /nfs/dbraw/zinc/36/22/66/1405362266.db2.gz DQOQSEACSYJSMQ-VQHVLOKHSA-N -1 3 389.411 3.380 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)c2)n1 ZINC000049303127 1405362922 /nfs/dbraw/zinc/36/29/22/1405362922.db2.gz PDVCZMNOLSBRKJ-ZUOKHONESA-N -1 3 391.427 3.166 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCCc3ccccc32)ccc1F ZINC000049726549 1405400098 /nfs/dbraw/zinc/40/00/98/1405400098.db2.gz RKSDTFOZIRCOIS-UHFFFAOYSA-N -1 3 390.480 3.496 20 0 GGADHM CCCN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000049733405 1405401749 /nfs/dbraw/zinc/40/17/49/1405401749.db2.gz ZGDJUKWEKSNTMC-UHFFFAOYSA-N -1 3 398.422 3.317 20 0 GGADHM CCCCN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000049732991 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GGADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057586361 1407659532 /nfs/dbraw/zinc/65/95/32/1407659532.db2.gz IDIUTHKGKOUSRQ-CABZTGNLSA-N -1 3 388.493 3.360 20 0 GGADHM O=C(NCc1cccc(Br)c1)N[N-]C(=O)c1ccccc1Cl ZINC000057631764 1407671180 /nfs/dbraw/zinc/67/11/80/1407671180.db2.gz JXVKRDOTOQUFAB-UHFFFAOYSA-N -1 3 382.645 3.247 20 0 GGADHM Cc1oc(NC(=O)CNC2(c3cccc(C)c3)CCCC2)c(-c2nn[n-]n2)c1C ZINC000826296726 1428255771 /nfs/dbraw/zinc/25/57/71/1428255771.db2.gz HIZCCOSMDMZOEX-UHFFFAOYSA-N -1 3 394.479 3.383 20 0 GGADHM Cc1oc(NC(=O)CNC2(c3cccc(C)c3)CCCC2)c(-c2nnn[n-]2)c1C ZINC000826296726 1428255776 /nfs/dbraw/zinc/25/57/76/1428255776.db2.gz HIZCCOSMDMZOEX-UHFFFAOYSA-N -1 3 394.479 3.383 20 0 GGADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000057662317 1407679132 /nfs/dbraw/zinc/67/91/32/1407679132.db2.gz JKYWCODFUJJKER-MRXNPFEDSA-N -1 3 393.365 3.449 20 0 GGADHM COc1cc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)cc(Cl)c1[O-] ZINC000057810075 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GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000065438442 1408669296 /nfs/dbraw/zinc/66/92/96/1408669296.db2.gz IVSMHHKCQVOADR-UHFFFAOYSA-N -1 3 385.317 3.102 20 0 GGADHM CCOc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000065503106 1408680335 /nfs/dbraw/zinc/68/03/35/1408680335.db2.gz BYPTVAKABJWQJP-UHFFFAOYSA-N -1 3 392.477 3.253 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1OC ZINC000065658772 1408707006 /nfs/dbraw/zinc/70/70/06/1408707006.db2.gz JDGZVAUWXIFVJC-UHFFFAOYSA-N -1 3 391.493 3.462 20 0 GGADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065751428 1408723739 /nfs/dbraw/zinc/72/37/39/1408723739.db2.gz QUZPKHBEOVSKMB-UHFFFAOYSA-N -1 3 377.322 3.253 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C)c(F)c2)cc1OC ZINC000065775478 1408727820 /nfs/dbraw/zinc/72/78/20/1408727820.db2.gz RHFCVYWCVHSKHU-UHFFFAOYSA-N -1 3 395.456 3.226 20 0 GGADHM O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065786600 1408729731 /nfs/dbraw/zinc/72/97/31/1408729731.db2.gz XORYXVLBDYOJCG-UHFFFAOYSA-N -1 3 390.355 3.060 20 0 GGADHM COc1ccc2ccccc2c1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065788039 1408729843 /nfs/dbraw/zinc/72/98/43/1408729843.db2.gz NVSWHQSGYBHERY-UHFFFAOYSA-N -1 3 375.384 3.054 20 0 GGADHM O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1c[n-]c2ccccc2c1=O ZINC000065796520 1408731505 /nfs/dbraw/zinc/73/15/05/1408731505.db2.gz CNHLFDQPWBNTFG-UHFFFAOYSA-N -1 3 381.395 3.490 20 0 GGADHM CCCOc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1OC ZINC000065799447 1408732036 /nfs/dbraw/zinc/73/20/36/1408732036.db2.gz AHTFIZRFDSFLJA-LBPRGKRZSA-N -1 3 397.431 3.250 20 0 GGADHM O=C(NCc1ccccc1OC1CCCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065804062 1408732994 /nfs/dbraw/zinc/73/29/94/1408732994.db2.gz LJHSIABZONSWPN-UHFFFAOYSA-N -1 3 379.416 3.213 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)Cc2ccsc2)cc1OC ZINC000065818815 1408735292 /nfs/dbraw/zinc/73/52/92/1408735292.db2.gz IRHWXTWEEGVKFE-GFCCVEGCSA-N -1 3 397.522 3.271 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000065820831 1408735456 /nfs/dbraw/zinc/73/54/56/1408735456.db2.gz KYIZQQDNDUJNDV-AWEZNQCLSA-N -1 3 383.835 3.463 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1 ZINC000065832903 1408738104 /nfs/dbraw/zinc/73/81/04/1408738104.db2.gz POBWWZXEVMDTEL-UHFFFAOYSA-N -1 3 379.478 3.438 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c(=O)[n-]1 ZINC000065918438 1408754031 /nfs/dbraw/zinc/75/40/31/1408754031.db2.gz ABLIJCMBOYBQFI-UHFFFAOYSA-N -1 3 378.476 3.207 20 0 GGADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccccn3)n2)c1 ZINC000066016894 1408774054 /nfs/dbraw/zinc/77/40/54/1408774054.db2.gz RGEDXOXBPJZWAF-UHFFFAOYSA-N -1 3 377.422 3.000 20 0 GGADHM COc1cccc(C(=O)N[N-]C(=O)c2sccc2-c2ccc(F)cc2)c1O ZINC000066050255 1408779216 /nfs/dbraw/zinc/77/92/16/1408779216.db2.gz DFFQZZMVPUUTLQ-UHFFFAOYSA-N -1 3 386.404 3.343 20 0 GGADHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCC1CCCCC1 ZINC000066057967 1408779960 /nfs/dbraw/zinc/77/99/60/1408779960.db2.gz AQLSPDPJDBDTCT-UHFFFAOYSA-N -1 3 397.504 3.310 20 0 GGADHM Cn1ncc(-c2nc(C3CC3)no2)c1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000066254294 1408797504 /nfs/dbraw/zinc/79/75/04/1408797504.db2.gz PZPSJMVAROHKMU-UHFFFAOYSA-N -1 3 397.460 3.077 20 0 GGADHM C[C@@H](c1ccco1)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000066291099 1408805810 /nfs/dbraw/zinc/80/58/10/1408805810.db2.gz CKXQJIGVSZZPEL-LBPRGKRZSA-N -1 3 392.452 3.225 20 0 GGADHM Cc1ccc(-c2nsc([N-]C(=O)c3cn(Cc4ccccc4)nn3)n2)s1 ZINC000066413111 1408833602 /nfs/dbraw/zinc/83/36/02/1408833602.db2.gz UPJLZONMJNYAOV-UHFFFAOYSA-N -1 3 382.474 3.467 20 0 GGADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CCCC[C@H]1C ZINC000066415515 1408833935 /nfs/dbraw/zinc/83/39/35/1408833935.db2.gz PMKYNIHONRGNIK-DYVFJYSZSA-N -1 3 382.501 3.307 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000066445491 1408840265 /nfs/dbraw/zinc/84/02/65/1408840265.db2.gz JXCQZZCDLBUETH-SFHVURJKSA-N -1 3 385.445 3.418 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(c2nc(C(F)F)nc3ccccc32)CC1 ZINC000066453156 1408840709 /nfs/dbraw/zinc/84/07/09/1408840709.db2.gz ANWRKOINNHQWPM-UHFFFAOYSA-N -1 3 384.386 3.235 20 0 GGADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000066550414 1408856838 /nfs/dbraw/zinc/85/68/38/1408856838.db2.gz JONOSOVLIFBGHT-UHFFFAOYSA-N -1 3 381.398 3.390 20 0 GGADHM COC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1F ZINC000066587927 1408861622 /nfs/dbraw/zinc/86/16/22/1408861622.db2.gz YOJIAQWIENKMOZ-UHFFFAOYSA-N -1 3 382.413 3.430 20 0 GGADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)ccc1C ZINC000066588148 1408861677 /nfs/dbraw/zinc/86/16/77/1408861677.db2.gz KQEBJLZVJOSRJT-UHFFFAOYSA-N -1 3 393.461 3.136 20 0 GGADHM O=C(NCCCc1cccc(Br)c1)NN=c1ccc(Cl)n[n-]1 ZINC000066619095 1408869832 /nfs/dbraw/zinc/86/98/32/1408869832.db2.gz KJKMJHOIVVIQOD-UHFFFAOYSA-N -1 3 384.665 3.151 20 0 GGADHM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000066753051 1408900237 /nfs/dbraw/zinc/90/02/37/1408900237.db2.gz SECGPXOSQAXYLO-UHFFFAOYSA-N -1 3 384.465 3.344 20 0 GGADHM CNS(=O)(=O)c1ccc([C@H](C)/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000066887611 1408941185 /nfs/dbraw/zinc/94/11/85/1408941185.db2.gz XDGKNEFDWZTQFY-ORPVNXHJSA-N -1 3 397.294 3.243 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000067108456 1409011697 /nfs/dbraw/zinc/01/16/97/1409011697.db2.gz YEAMIMHDGXSZGC-JKSUJKDBSA-N -1 3 379.382 3.010 20 0 GGADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)cc1 ZINC000067124144 1409014114 /nfs/dbraw/zinc/01/41/14/1409014114.db2.gz PCWLTOVLVCONFY-UHFFFAOYSA-N -1 3 391.493 3.081 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(CN2C(=O)CSC2=O)c1 ZINC000067139056 1409019435 /nfs/dbraw/zinc/01/94/35/1409019435.db2.gz ZUXTUHRPWNFYEZ-UHFFFAOYSA-N -1 3 376.821 3.493 20 0 GGADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC000067155179 1409025229 /nfs/dbraw/zinc/02/52/29/1409025229.db2.gz NRQAWFPBPXGKGI-UHFFFAOYSA-N -1 3 399.803 3.256 20 0 GGADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000067166593 1409030473 /nfs/dbraw/zinc/03/04/73/1409030473.db2.gz NDHSXVVSJHIOSH-UHFFFAOYSA-N -1 3 381.813 3.175 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000067177054 1409033618 /nfs/dbraw/zinc/03/36/18/1409033618.db2.gz ADDJAMNQBATRDN-GOSISDBHSA-N -1 3 392.814 3.357 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(=O)[n-]1 ZINC000067266758 1409058466 /nfs/dbraw/zinc/05/84/66/1409058466.db2.gz VVMQFMNLUJPFHO-HNNXBMFYSA-N -1 3 394.500 3.297 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(=O)[n-]1 ZINC000067266757 1409058543 /nfs/dbraw/zinc/05/85/43/1409058543.db2.gz VVMQFMNLUJPFHO-OAHLLOKOSA-N -1 3 394.500 3.297 20 0 GGADHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000067548727 1409156890 /nfs/dbraw/zinc/15/68/90/1409156890.db2.gz PUOCBMZUZDMGAC-UHFFFAOYSA-N -1 3 383.263 3.365 20 0 GGADHM O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000067574230 1409172714 /nfs/dbraw/zinc/17/27/14/1409172714.db2.gz RRKGZQMKGBABIZ-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)CCSc2ccccc2)o1 ZINC000067699691 1409208018 /nfs/dbraw/zinc/20/80/18/1409208018.db2.gz UXLAHOAXNPMDBO-UHFFFAOYSA-N -1 3 375.494 3.065 20 0 GGADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000067775255 1409227789 /nfs/dbraw/zinc/22/77/89/1409227789.db2.gz JYDWHOKGZAFYLA-NSHDSACASA-N -1 3 399.344 3.472 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC000176629432 1428384888 /nfs/dbraw/zinc/38/48/88/1428384888.db2.gz HGZGPAJWGODDBQ-UHFFFAOYSA-N -1 3 377.803 3.071 20 0 GGADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2C)cc1 ZINC000067874346 1409247817 /nfs/dbraw/zinc/24/78/17/1409247817.db2.gz NBPUCGHPPXVRRB-UHFFFAOYSA-N -1 3 376.478 3.464 20 0 GGADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000067899559 1409252246 /nfs/dbraw/zinc/25/22/46/1409252246.db2.gz KYCYZKNBHIEROO-UHFFFAOYSA-N -1 3 375.471 3.499 20 0 GGADHM Cc1n[nH]cc1C(=O)[N-]NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000067961052 1409264877 /nfs/dbraw/zinc/26/48/77/1409264877.db2.gz RJQXNAQVZLQFCM-UHFFFAOYSA-N -1 3 377.429 3.070 20 0 GGADHM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000068001516 1409273170 /nfs/dbraw/zinc/27/31/70/1409273170.db2.gz SRZASCQXKUTSEQ-ZDUSSCGKSA-N -1 3 393.484 3.131 20 0 GGADHM C[C@H](c1ccccn1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000068001517 1409273406 /nfs/dbraw/zinc/27/34/06/1409273406.db2.gz SRZASCQXKUTSEQ-CYBMUJFWSA-N -1 3 393.484 3.131 20 0 GGADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2)C[C@H](C)O1 ZINC000068076518 1409292979 /nfs/dbraw/zinc/29/29/79/1409292979.db2.gz CUGBQEQXLFELAG-GASCZTMLSA-N -1 3 388.489 3.131 20 0 GGADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1N1CCSCC1 ZINC000068076616 1409293739 /nfs/dbraw/zinc/29/37/39/1409293739.db2.gz UXSRNRFLPVHFSC-UHFFFAOYSA-N -1 3 390.530 3.379 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2sc(CC(C)C)nc2C)o1 ZINC000068112509 1409305841 /nfs/dbraw/zinc/30/58/41/1409305841.db2.gz DRFBZSWOHHGGCZ-UHFFFAOYSA-N -1 3 392.525 3.160 20 0 GGADHM O=Cc1cccc(OCc2cccc(C(=O)N[N-]C(=O)c3ccccc3F)c2)c1 ZINC000068228782 1409334785 /nfs/dbraw/zinc/33/47/85/1409334785.db2.gz QZDQALRKDMLMNT-UHFFFAOYSA-N -1 3 392.386 3.292 20 0 GGADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCN4C)cc2C[C@H]1C ZINC000068239390 1409338177 /nfs/dbraw/zinc/33/81/77/1409338177.db2.gz IEOXTLNDVOAWAW-CQSZACIVSA-N -1 3 399.516 3.167 20 0 GGADHM Cc1c([O-])ccc2c(CSc3nncn3CCc3ccccn3)cc(=O)oc12 ZINC000068275117 1409348893 /nfs/dbraw/zinc/34/88/93/1409348893.db2.gz HVJAVWMBCCENGZ-UHFFFAOYSA-N -1 3 394.456 3.329 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)cc1OC ZINC000068372099 1409382796 /nfs/dbraw/zinc/38/27/96/1409382796.db2.gz YOHIISDMILVTAA-ZDUSSCGKSA-N -1 3 392.481 3.077 20 0 GGADHM COc1cc(S(=O)(=O)[N-]c2cccnc2Cl)ccc1Br ZINC000176672991 1428399762 /nfs/dbraw/zinc/39/97/62/1428399762.db2.gz MXFXQYAWWPMHMH-UHFFFAOYSA-N -1 3 377.647 3.307 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)ccc1F ZINC000176678714 1428403227 /nfs/dbraw/zinc/40/32/27/1428403227.db2.gz QQZZSYFGJNSTIX-UHFFFAOYSA-N -1 3 393.223 3.302 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000068564152 1409439982 /nfs/dbraw/zinc/43/99/82/1409439982.db2.gz BKWFMFFKMUZAIY-LPHOPBHVSA-N -1 3 380.492 3.254 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000068564094 1409440038 /nfs/dbraw/zinc/44/00/38/1409440038.db2.gz LGXOAMZDBDCYIM-CYBMUJFWSA-N -1 3 380.423 3.089 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000068564149 1409440217 /nfs/dbraw/zinc/44/02/17/1409440217.db2.gz BKWFMFFKMUZAIY-APWZRJJASA-N -1 3 380.492 3.254 20 0 GGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(N2CCCC2=O)cc1 ZINC000068662299 1409461533 /nfs/dbraw/zinc/46/15/33/1409461533.db2.gz LNCUHSIIQRWWJY-CQSZACIVSA-N -1 3 375.428 3.146 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCN(c4ccccc4)C3)nc2)n1 ZINC000068665183 1409463284 /nfs/dbraw/zinc/46/32/84/1409463284.db2.gz WLLXEQSBTXPNEM-MRXNPFEDSA-N -1 3 375.476 3.333 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(-n4ccnc4)c(F)c3)nc2)n1 ZINC000068692087 1409470640 /nfs/dbraw/zinc/47/06/40/1409470640.db2.gz OIVKHCPWKHJKNW-UHFFFAOYSA-N -1 3 390.422 3.331 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(NC(C)=O)cc3)nc2)n1 ZINC000068701156 1409471472 /nfs/dbraw/zinc/47/14/72/1409471472.db2.gz KIQDPYPZTLXSBD-UHFFFAOYSA-N -1 3 377.448 3.007 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCOCc3ccc(OC)cc3)nc2)n1 ZINC000068699285 1409471486 /nfs/dbraw/zinc/47/14/86/1409471486.db2.gz JSFRCHZCTFBRIL-UHFFFAOYSA-N -1 3 394.475 3.422 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C[C@H]3OCCc4ccccc43)nc2)n1 ZINC000068697342 1409471566 /nfs/dbraw/zinc/47/15/66/1409471566.db2.gz IFKXBTCFUYXOGF-LJQANCHMSA-N -1 3 376.460 3.145 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCCN3C(=O)OC(C)(C)C)nc2)n1 ZINC000068703398 1409471949 /nfs/dbraw/zinc/47/19/49/1409471949.db2.gz WTYDTZQNDHHVDC-MRXNPFEDSA-N -1 3 399.495 3.206 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1F ZINC000176693648 1428412387 /nfs/dbraw/zinc/41/23/87/1428412387.db2.gz JFFJRGAFQWWDOD-UHFFFAOYSA-N -1 3 396.415 3.152 20 0 GGADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(F)cc1F ZINC000069042170 1409551452 /nfs/dbraw/zinc/55/14/52/1409551452.db2.gz OEOOPWLJSBWNIN-NSHDSACASA-N -1 3 388.386 3.048 20 0 GGADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)N(C)C)cc1 ZINC000069090686 1409562952 /nfs/dbraw/zinc/56/29/52/1409562952.db2.gz QSJCIUDRAZLPDS-OAHLLOKOSA-N -1 3 386.439 3.248 20 0 GGADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)c(F)c1F ZINC000069090867 1409563006 /nfs/dbraw/zinc/56/30/06/1409563006.db2.gz HXEYRXFCMMHMQW-HNNXBMFYSA-N -1 3 384.423 3.219 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1OC 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GGADHM Cc1nn(-c2ccccc2)c(C)c1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000091923581 1410092933 /nfs/dbraw/zinc/09/29/33/1410092933.db2.gz MUBHPDZGVNDSPB-UHFFFAOYSA-N -1 3 390.487 3.153 20 0 GGADHM COc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1OC(C)C ZINC000091924458 1410093196 /nfs/dbraw/zinc/09/31/96/1410093196.db2.gz JOCOVEJWQKUMMB-UHFFFAOYSA-N -1 3 384.476 3.146 20 0 GGADHM Cc1ccc(OC(F)F)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000091924721 1410093243 /nfs/dbraw/zinc/09/32/43/1410093243.db2.gz VTZNTIQESUZFSU-UHFFFAOYSA-N -1 3 376.403 3.260 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3Cl)CC2)c(C)o1 ZINC000092030370 1410098086 /nfs/dbraw/zinc/09/80/86/1410098086.db2.gz CEELZZDTWUAQKG-UHFFFAOYSA-N -1 3 394.880 3.079 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)cc1Cl ZINC000092268555 1410131184 /nfs/dbraw/zinc/13/11/84/1410131184.db2.gz RNTNLOPSMPOHQB-UHFFFAOYSA-N -1 3 396.871 3.273 20 0 GGADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000093944471 1410288050 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GGADHM Cc1ccc(C(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000176858364 1428503332 /nfs/dbraw/zinc/50/33/32/1428503332.db2.gz UGZDTFYJVGHPSE-AWEZNQCLSA-N -1 3 383.366 3.231 20 0 GGADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c1 ZINC000102631788 1410677865 /nfs/dbraw/zinc/67/78/65/1410677865.db2.gz ZATOOTRUABKIMP-UHFFFAOYSA-N -1 3 394.840 3.334 20 0 GGADHM O=C(Nc1cc(F)ccc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000102801135 1410766369 /nfs/dbraw/zinc/76/63/69/1410766369.db2.gz WRRKVTVQQMFUIE-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM CCOCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000102852059 1410801173 /nfs/dbraw/zinc/80/11/73/1410801173.db2.gz VXMQOPVUHDEDIZ-UHFFFAOYSA-N -1 3 376.478 3.469 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c(=O)[n-]1 ZINC000102890168 1410804251 /nfs/dbraw/zinc/80/42/51/1410804251.db2.gz JNVZEBULPYNPPG-UHFFFAOYSA-N -1 3 380.429 3.438 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]C2CCCC2)c(Br)cc1Cl ZINC000102932468 1410809458 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1411760521 /nfs/dbraw/zinc/76/05/21/1411760521.db2.gz WBPORWHVUCSDAV-UHFFFAOYSA-N -1 3 399.516 3.083 20 0 GGADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000109426513 1411760880 /nfs/dbraw/zinc/76/08/80/1411760880.db2.gz RJOOUENZUGSNII-UHFFFAOYSA-N -1 3 396.534 3.127 20 0 GGADHM COc1ccccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000109455947 1411768055 /nfs/dbraw/zinc/76/80/55/1411768055.db2.gz RRAPGYCFZPLWIT-UHFFFAOYSA-N -1 3 391.424 3.238 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(Cc2ccccc2Cl)no1 ZINC000109539960 1411781941 /nfs/dbraw/zinc/78/19/41/1411781941.db2.gz FFVWTHZPPBBXAB-UHFFFAOYSA-N -1 3 393.834 3.358 20 0 GGADHM COc1ccc(Cc2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000109554013 1411786281 /nfs/dbraw/zinc/78/62/81/1411786281.db2.gz VQUALVHLUCJEIH-AWEZNQCLSA-N -1 3 387.461 3.017 20 0 GGADHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000109625700 1411801433 /nfs/dbraw/zinc/80/14/33/1411801433.db2.gz SGGVPADWAODTPZ-UHFFFAOYSA-N -1 3 381.396 3.085 20 0 GGADHM O=c1[n-]nc(SCc2ccn(-c3ccccc3)n2)n1CCc1ccccc1 ZINC000109691357 1411804242 /nfs/dbraw/zinc/80/42/42/1411804242.db2.gz IRPHKOQGYJDMOJ-UHFFFAOYSA-N -1 3 377.473 3.292 20 0 GGADHM Cc1sc2ncnc(N3CCC(C(=O)Nc4ccncc4[O-])CC3)c2c1C ZINC000109889653 1411816843 /nfs/dbraw/zinc/81/68/43/1411816843.db2.gz OGVHWMCFWALKDU-UHFFFAOYSA-N -1 3 383.477 3.264 20 0 GGADHM CCOc1ccc([C@H](C)NC(=O)c2nnc3ccccc3c2[O-])cc1OCC ZINC000109946944 1411820371 /nfs/dbraw/zinc/82/03/71/1411820371.db2.gz FCLMMMPIEHLDMI-ZDUSSCGKSA-N -1 3 381.432 3.212 20 0 GGADHM O=C(NCc1cccnc1Oc1cccc(F)c1)c1nnc2ccccc2c1[O-] ZINC000109948610 1411820562 /nfs/dbraw/zinc/82/05/62/1411820562.db2.gz FFVGUGWWTBCLAX-UHFFFAOYSA-N -1 3 390.374 3.180 20 0 GGADHM O=C(Nc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1)c1cccs1 ZINC000109961186 1411821460 /nfs/dbraw/zinc/82/14/60/1411821460.db2.gz WFPKAYYWZSTDKS-UHFFFAOYSA-N -1 3 390.424 3.489 20 0 GGADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000110064605 1411829163 /nfs/dbraw/zinc/82/91/63/1411829163.db2.gz YGFRWRCAVNCKIY-UHFFFAOYSA-N -1 3 394.500 3.033 20 0 GGADHM O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110226941 1411838692 /nfs/dbraw/zinc/83/86/92/1411838692.db2.gz BREYVNXOANTVGB-UHFFFAOYSA-N -1 3 389.455 3.467 20 0 GGADHM O=C(NC[C@H](O)COc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110230917 1411838962 /nfs/dbraw/zinc/83/89/62/1411838962.db2.gz DHBCEHKHNKXQQI-IBGZPJMESA-N -1 3 377.440 3.153 20 0 GGADHM Cc1ccc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000110242618 1411839801 /nfs/dbraw/zinc/83/98/01/1411839801.db2.gz YQRUTPQKZVIFOD-INIZCTEOSA-N -1 3 381.476 3.448 20 0 GGADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2ccncc2)no1 ZINC000110334813 1411845274 /nfs/dbraw/zinc/84/52/74/1411845274.db2.gz RTGUZQLGVJKFDQ-INIZCTEOSA-N -1 3 390.440 3.087 20 0 GGADHM CC(C)[C@@H](C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)N(C)C ZINC000110634278 1411861636 /nfs/dbraw/zinc/86/16/36/1411861636.db2.gz IGAYTBYDQNKKDC-INIZCTEOSA-N -1 3 399.513 3.213 20 0 GGADHM O=S(=O)([N-]CCCOc1cccc2cccnc21)c1ccc(F)cc1F ZINC000111049001 1411884661 /nfs/dbraw/zinc/88/46/61/1411884661.db2.gz AIYRIQKXKFAQHD-UHFFFAOYSA-N -1 3 378.400 3.260 20 0 GGADHM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cc(Cl)ccc1[O-])C2=O ZINC000111210815 1411895874 /nfs/dbraw/zinc/89/58/74/1411895874.db2.gz PXESMYLWKZQQKP-WYRIXSBYSA-N -1 3 393.871 3.121 20 0 GGADHM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111211169 1411895961 /nfs/dbraw/zinc/89/59/61/1411895961.db2.gz UNEFQHCSCIOPAN-INIZCTEOSA-N -1 3 394.880 3.146 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCCc4ccc(C)cc43)nc(=O)c2c1C ZINC000111262524 1411898197 /nfs/dbraw/zinc/89/81/97/1411898197.db2.gz SNQCVGMILAEWJE-UHFFFAOYSA-N -1 3 383.473 3.341 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)O[C@@H](CC)C3)nc(=O)c2c1C ZINC000111272741 1411898876 /nfs/dbraw/zinc/89/88/76/1411898876.db2.gz CJIUADLUYPAPKW-DRZSPHRISA-N -1 3 393.509 3.030 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1Cc2ccccc2C1 ZINC000111362572 1411923139 /nfs/dbraw/zinc/92/31/39/1411923139.db2.gz AXPQDSJPMQUGFO-UHFFFAOYSA-N -1 3 396.871 3.080 20 0 GGADHM O=C(CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCc2ccccc21 ZINC000111366940 1411925837 /nfs/dbraw/zinc/92/58/37/1411925837.db2.gz FOWDROWTDBZUQA-UHFFFAOYSA-N -1 3 396.871 3.127 20 0 GGADHM Cc1cccc(C(C)C)c1NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177178589 1428616332 /nfs/dbraw/zinc/61/63/32/1428616332.db2.gz AVEOVQOKFXIQDW-UHFFFAOYSA-N -1 3 395.503 3.221 20 0 GGADHM O=C(Nc1nc(CN2CCCCCC2)cs1)c1nnc2ccccc2c1[O-] ZINC000111549944 1411990779 /nfs/dbraw/zinc/99/07/79/1411990779.db2.gz PFISHZIBCSLKDH-UHFFFAOYSA-N -1 3 383.477 3.008 20 0 GGADHM CCCCOc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1OC ZINC000111567088 1411993188 /nfs/dbraw/zinc/99/31/88/1411993188.db2.gz AHHFWZFXSHYFJR-UHFFFAOYSA-N -1 3 381.432 3.041 20 0 GGADHM COc1ccc(F)cc1-c1csc(NC(=O)c2nnc3ccccc3c2[O-])n1 ZINC000111567901 1411993215 /nfs/dbraw/zinc/99/32/15/1411993215.db2.gz GEXPJNPDSVZQKO-UHFFFAOYSA-N -1 3 396.403 3.447 20 0 GGADHM Cn1ccnc1Sc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000111566157 1411993350 /nfs/dbraw/zinc/99/33/50/1411993350.db2.gz LDFUCQRDTBBTFG-UHFFFAOYSA-N -1 3 377.429 3.060 20 0 GGADHM O=C(Nc1cccc(COCc2ccco2)c1)c1nnc2ccccc2c1[O-] ZINC000111571487 1411994616 /nfs/dbraw/zinc/99/46/16/1411994616.db2.gz QFCWZMBFCHGHSK-UHFFFAOYSA-N -1 3 375.384 3.485 20 0 GGADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000111581080 1411995907 /nfs/dbraw/zinc/99/59/07/1411995907.db2.gz HSOWTPANZKOJHU-NSHDSACASA-N -1 3 391.349 3.355 20 0 GGADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1nnc2ccccc2c1[O-] ZINC000111580656 1411996372 /nfs/dbraw/zinc/99/63/72/1411996372.db2.gz ZFMPKQQYJHDRQY-UHFFFAOYSA-N -1 3 390.374 3.180 20 0 GGADHM COc1ccccc1[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000111617519 1412002319 /nfs/dbraw/zinc/00/23/19/1412002319.db2.gz YNOZTRZNMZTQSI-HXUWFJFHSA-N -1 3 385.423 3.451 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000111619169 1412003069 /nfs/dbraw/zinc/00/30/69/1412003069.db2.gz VTIVMTAWFKKOTN-IBGZPJMESA-N -1 3 397.862 3.162 20 0 GGADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111632487 1412003535 /nfs/dbraw/zinc/00/35/35/1412003535.db2.gz DZLOIRBITDRTOB-UHFFFAOYSA-N -1 3 391.402 3.210 20 0 GGADHM CCc1ccc2c(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc(=O)oc2c1 ZINC000177181425 1428618107 /nfs/dbraw/zinc/61/81/07/1428618107.db2.gz MVKXABQALRKUQS-UHFFFAOYSA-N -1 3 392.455 3.019 20 0 GGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000111900941 1412046841 /nfs/dbraw/zinc/04/68/41/1412046841.db2.gz XPDLAAIVRUVDAQ-NHCUHLMSSA-N -1 3 393.487 3.196 20 0 GGADHM COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)co2)cc1 ZINC000177183106 1428619035 /nfs/dbraw/zinc/61/90/35/1428619035.db2.gz WUWBTFOSQNLIHB-UHFFFAOYSA-N -1 3 393.443 3.014 20 0 GGADHM Cc1cccc([C@H]2CCN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)C2)c1 ZINC000826297966 1428619768 /nfs/dbraw/zinc/61/97/68/1428619768.db2.gz XXMBNKUDCHZYDN-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1cccc([C@H]2CCN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)c1 ZINC000826297966 1428619769 /nfs/dbraw/zinc/61/97/69/1428619769.db2.gz XXMBNKUDCHZYDN-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1F ZINC000111994742 1412063837 /nfs/dbraw/zinc/06/38/37/1412063837.db2.gz ZVCVMCFBPJNOME-OAHLLOKOSA-N -1 3 378.469 3.328 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1 ZINC000111994905 1412063884 /nfs/dbraw/zinc/06/38/84/1412063884.db2.gz YCBZEUNVOWCVGR-INIZCTEOSA-N -1 3 390.505 3.279 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000111994903 1412064239 /nfs/dbraw/zinc/06/42/39/1412064239.db2.gz YCBZEUNVOWCVGR-MRXNPFEDSA-N -1 3 390.505 3.279 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1F ZINC000111994933 1412064652 /nfs/dbraw/zinc/06/46/52/1412064652.db2.gz ICSJXTSTAZOKHD-CQSZACIVSA-N -1 3 394.468 3.028 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1F ZINC000111994932 1412065095 /nfs/dbraw/zinc/06/50/95/1412065095.db2.gz ICSJXTSTAZOKHD-AWEZNQCLSA-N -1 3 394.468 3.028 20 0 GGADHM CCS[C@H]1CCCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000112089818 1412075528 /nfs/dbraw/zinc/07/55/28/1412075528.db2.gz VKXRMULXGPPRGX-LBPRGKRZSA-N -1 3 395.550 3.187 20 0 GGADHM COc1ccc(Cl)c(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000112266110 1412110153 /nfs/dbraw/zinc/11/01/53/1412110153.db2.gz BUIPPTNMSLWTTI-UHFFFAOYSA-N -1 3 381.763 3.068 20 0 GGADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccccc1OC(F)F ZINC000112335380 1412132348 /nfs/dbraw/zinc/13/23/48/1412132348.db2.gz JAJOFPIXEQTHEO-UHFFFAOYSA-N -1 3 378.375 3.297 20 0 GGADHM COc1ccc(CC(=O)[N-]OCc2ccc(Br)cc2)cc1OC ZINC000112336350 1412132735 /nfs/dbraw/zinc/13/27/35/1412132735.db2.gz LRPKQHMQUITICE-UHFFFAOYSA-N -1 3 380.238 3.257 20 0 GGADHM O=C(c1ccccc1)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000112534481 1412164923 /nfs/dbraw/zinc/16/49/23/1412164923.db2.gz YEGUNUNIUUZNTN-OAHLLOKOSA-N -1 3 396.871 3.062 20 0 GGADHM CC[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)Oc1ccccc1F ZINC000177201599 1428629243 /nfs/dbraw/zinc/62/92/43/1428629243.db2.gz BPXYQBZMIPZAFT-ZDUSSCGKSA-N -1 3 375.444 3.102 20 0 GGADHM C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000112727408 1412204602 /nfs/dbraw/zinc/20/46/02/1412204602.db2.gz BLRUHAVPXHUIMA-CYBMUJFWSA-N -1 3 384.461 3.023 20 0 GGADHM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000112727407 1412204809 /nfs/dbraw/zinc/20/48/09/1412204809.db2.gz BLRUHAVPXHUIMA-ZDUSSCGKSA-N -1 3 384.461 3.023 20 0 GGADHM O=C(Nc1ccccc1Cl)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000112851423 1412225195 /nfs/dbraw/zinc/22/51/95/1412225195.db2.gz XSOHLPXOLDPUQX-UHFFFAOYSA-N -1 3 386.807 3.311 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Br)Nc1nnc(C(F)(F)F)[n-]1 ZINC000113154175 1412269296 /nfs/dbraw/zinc/26/92/96/1412269296.db2.gz LEKAPTKYWHVHEC-UHFFFAOYSA-N -1 3 383.555 3.421 20 0 GGADHM O=C(Cc1ccc(Cl)cc1Br)Nc1nc(C(F)(F)F)n[n-]1 ZINC000113154175 1412269304 /nfs/dbraw/zinc/26/93/04/1412269304.db2.gz LEKAPTKYWHVHEC-UHFFFAOYSA-N -1 3 383.555 3.421 20 0 GGADHM Cc1ccc(N(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000113191748 1412272907 /nfs/dbraw/zinc/27/29/07/1412272907.db2.gz ZXQGNURCQWSSNL-UHFFFAOYSA-N -1 3 382.851 3.308 20 0 GGADHM O=C(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Nc1ccccc1 ZINC000113302974 1412289772 /nfs/dbraw/zinc/28/97/72/1412289772.db2.gz GBFYOKKAKZVJHE-UHFFFAOYSA-N -1 3 390.358 3.152 20 0 GGADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)n[nH]1 ZINC000113418568 1412305235 /nfs/dbraw/zinc/30/52/35/1412305235.db2.gz ASIYLWMYLYRZBD-UHFFFAOYSA-N -1 3 388.424 3.219 20 0 GGADHM N#CCOc1cccc(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000113630194 1412324314 /nfs/dbraw/zinc/32/43/14/1412324314.db2.gz NBFSHHADNTYWJB-UHFFFAOYSA-N -1 3 393.230 3.040 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c(CN(C)C)c1 ZINC000114054149 1412377685 /nfs/dbraw/zinc/37/76/85/1412377685.db2.gz TVNPUAKBPMCXSA-UHFFFAOYSA-N -1 3 384.505 3.102 20 0 GGADHM CCOc1ccccc1NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000114185463 1412388714 /nfs/dbraw/zinc/38/87/14/1412388714.db2.gz CWALXCSEAFPUHU-UHFFFAOYSA-N -1 3 378.428 3.468 20 0 GGADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2)n1 ZINC000114313519 1412411597 /nfs/dbraw/zinc/41/15/97/1412411597.db2.gz IFESXDFKNPKFRQ-UHFFFAOYSA-N -1 3 385.445 3.247 20 0 GGADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1OC ZINC000114496759 1412445917 /nfs/dbraw/zinc/44/59/17/1412445917.db2.gz NNTPCMZYXSJNLU-MRVPVSSYSA-N -1 3 393.358 3.300 20 0 GGADHM Cc1cc(C)cc(-c2nnc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)s2)c1 ZINC000115150821 1412598911 /nfs/dbraw/zinc/59/89/11/1412598911.db2.gz HGYLOSNVMCADOV-UHFFFAOYSA-N -1 3 383.477 3.093 20 0 GGADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(Br)c1 ZINC000115178997 1412602663 /nfs/dbraw/zinc/60/26/63/1412602663.db2.gz GRARNQVHQIFPCS-UHFFFAOYSA-N -1 3 375.222 3.164 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)CCC3CC3)c2)cc1 ZINC000115240585 1412618513 /nfs/dbraw/zinc/61/85/13/1412618513.db2.gz VERFHXPGADXTRX-UHFFFAOYSA-N -1 3 388.489 3.302 20 0 GGADHM CC[C@@H](C)C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240608 1412618905 /nfs/dbraw/zinc/61/89/05/1412618905.db2.gz OXJRHUKVRIVAPQ-CQSZACIVSA-N -1 3 376.478 3.158 20 0 GGADHM Cc1ccc(C[C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccccn2)cc1 ZINC000115252986 1412621281 /nfs/dbraw/zinc/62/12/81/1412621281.db2.gz IUSIUYCHOMKRFO-NRFANRHFSA-N -1 3 390.487 3.123 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)c(Cl)c2)c(C)c1 ZINC000115312651 1412645318 /nfs/dbraw/zinc/64/53/18/1412645318.db2.gz FUMPIDGEXYRJGM-UHFFFAOYSA-N -1 3 396.896 3.225 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](c4ccccc4)C[C@@H]3C)nc(=O)c2c1C ZINC000115556290 1412711019 /nfs/dbraw/zinc/71/10/19/1412711019.db2.gz MCPUUTXBFFBPGW-WFASDCNBSA-N -1 3 397.500 3.458 20 0 GGADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)c2ccccn2)cc1 ZINC000115591399 1412723025 /nfs/dbraw/zinc/72/30/25/1412723025.db2.gz DEPOBNHYDGIAMM-INIZCTEOSA-N -1 3 390.896 3.039 20 0 GGADHM Cc1ccc(C[C@H](NC(=O)c2nnc3ccccc3c2[O-])c2ccccn2)cc1 ZINC000115723721 1412774380 /nfs/dbraw/zinc/77/43/80/1412774380.db2.gz XKILHKWTLCFGJD-FQEVSTJZSA-N -1 3 384.439 3.340 20 0 GGADHM Cc1cccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000115857516 1412803275 /nfs/dbraw/zinc/80/32/75/1412803275.db2.gz JWBWYAOQYINTGJ-QGZVFWFLSA-N -1 3 381.476 3.238 20 0 GGADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)cc21 ZINC000115927590 1412816779 /nfs/dbraw/zinc/81/67/79/1412816779.db2.gz QPFXBBIQZIQTGI-UHFFFAOYSA-N -1 3 399.516 3.387 20 0 GGADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2)n1 ZINC000116103093 1412832519 /nfs/dbraw/zinc/83/25/19/1412832519.db2.gz GGSWBIRWAFLNIN-UHFFFAOYSA-N -1 3 398.488 3.172 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2nccs2)ccc1F ZINC000116141100 1412836202 /nfs/dbraw/zinc/83/62/02/1412836202.db2.gz JARSBBLHLZHWGG-UHFFFAOYSA-N -1 3 399.513 3.024 20 0 GGADHM Cc1ccc(-c2ncc(C(=O)NCCNC(=O)c3ccc([O-])cc3)s2)c(C)c1 ZINC000116196407 1412841130 /nfs/dbraw/zinc/84/11/30/1412841130.db2.gz OEXSZYNIILHRRE-UHFFFAOYSA-N -1 3 395.484 3.292 20 0 GGADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCCCC1 ZINC000116464552 1412864497 /nfs/dbraw/zinc/86/44/97/1412864497.db2.gz UPUXOXLBGULMPI-UHFFFAOYSA-N -1 3 378.947 3.251 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582625 1428682287 /nfs/dbraw/zinc/68/22/87/1428682287.db2.gz MDTKEPGJUPGOJC-QZTJIDSGSA-N -1 3 395.511 3.074 20 0 GGADHM CCO[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)C12CCCCC2 ZINC000825582625 1428682298 /nfs/dbraw/zinc/68/22/98/1428682298.db2.gz MDTKEPGJUPGOJC-QZTJIDSGSA-N -1 3 395.511 3.074 20 0 GGADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000116601219 1412885755 /nfs/dbraw/zinc/88/57/55/1412885755.db2.gz KRXYNZUVERILPZ-UHFFFAOYSA-N -1 3 387.505 3.010 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000116602148 1412886077 /nfs/dbraw/zinc/88/60/77/1412886077.db2.gz KFKXTOVMRKCZMQ-UHFFFAOYSA-N -1 3 387.461 3.088 20 0 GGADHM COc1ccc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000116652100 1412891617 /nfs/dbraw/zinc/89/16/17/1412891617.db2.gz KAXPVYQAMPYQCK-IBGZPJMESA-N -1 3 382.460 3.193 20 0 GGADHM COc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c([O-])c1 ZINC000116660871 1412894089 /nfs/dbraw/zinc/89/40/89/1412894089.db2.gz IWXUPOWXXRGTQJ-GFCCVEGCSA-N -1 3 378.375 3.011 20 0 GGADHM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1ccccc1F ZINC000116708632 1412899838 /nfs/dbraw/zinc/89/98/38/1412899838.db2.gz QECONZWPCBBWKS-UHFFFAOYSA-N -1 3 377.393 3.227 20 0 GGADHM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000116711293 1412900963 /nfs/dbraw/zinc/90/09/63/1412900963.db2.gz XDWWZTQKCUNRNE-UHFFFAOYSA-N -1 3 393.530 3.219 20 0 GGADHM COc1cccc(C[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000116774530 1412921867 /nfs/dbraw/zinc/92/18/67/1412921867.db2.gz FRRINEMSOAGWKB-GOSISDBHSA-N -1 3 396.487 3.063 20 0 GGADHM Cc1cc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)s1 ZINC000116881295 1412948159 /nfs/dbraw/zinc/94/81/59/1412948159.db2.gz WHQKIYZFDWVNHL-NSHDSACASA-N -1 3 396.509 3.436 20 0 GGADHM Cc1cc(Cl)cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1O ZINC000116978883 1412970766 /nfs/dbraw/zinc/97/07/66/1412970766.db2.gz YNOKYTWKAUAGMW-UHFFFAOYSA-N -1 3 398.850 3.379 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC ZINC000117021204 1412982181 /nfs/dbraw/zinc/98/21/81/1412982181.db2.gz FFPFNQIBFNMLCD-CQSZACIVSA-N -1 3 380.422 3.042 20 0 GGADHM CC(C)(CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)Cc1ccccc1 ZINC000117411076 1413034513 /nfs/dbraw/zinc/03/45/13/1413034513.db2.gz HOQIMRQROFYCAC-UHFFFAOYSA-N -1 3 395.503 3.129 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c1 ZINC000117424068 1413035239 /nfs/dbraw/zinc/03/52/39/1413035239.db2.gz OWGQTZMVCVPLPU-KRWDZBQOSA-N -1 3 385.439 3.197 20 0 GGADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1OC ZINC000118161444 1413117636 /nfs/dbraw/zinc/11/76/36/1413117636.db2.gz AGURBTGGKSVURS-UHFFFAOYSA-N -1 3 391.424 3.138 20 0 GGADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1nnc2ccccc2c1[O-] ZINC000118314064 1413148674 /nfs/dbraw/zinc/14/86/74/1413148674.db2.gz MGXCHBNDBGLUSZ-UHFFFAOYSA-N -1 3 397.284 3.378 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCc2cc(Br)ccc21 ZINC000118317610 1413148976 /nfs/dbraw/zinc/14/89/76/1413148976.db2.gz SSWGQIWNEHIIGI-UHFFFAOYSA-N -1 3 384.233 3.279 20 0 GGADHM CC(C)CNC(=O)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1Cl ZINC000118317240 1413149066 /nfs/dbraw/zinc/14/90/66/1413149066.db2.gz DNVLJHJHJFSWFB-UHFFFAOYSA-N -1 3 398.850 3.215 20 0 GGADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1nnc2ccccc2c1[O-] ZINC000118319451 1413149533 /nfs/dbraw/zinc/14/95/33/1413149533.db2.gz IENSSJIHGDYKSJ-AWEZNQCLSA-N -1 3 379.416 3.123 20 0 GGADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2nnc3ccccc3c2[O-])c1 ZINC000118330952 1413151274 /nfs/dbraw/zinc/15/12/74/1413151274.db2.gz CCOCCGIVADEYSA-UHFFFAOYSA-N -1 3 384.439 3.469 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000118327723 1413151590 /nfs/dbraw/zinc/15/15/90/1413151590.db2.gz OMPXKYMGJWWTMD-UHFFFAOYSA-N -1 3 384.439 3.203 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000118333797 1413152017 /nfs/dbraw/zinc/15/20/17/1413152017.db2.gz FALDZCMOWQSODN-UHFFFAOYSA-N -1 3 399.406 3.499 20 0 GGADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118335585 1413152345 /nfs/dbraw/zinc/15/23/45/1413152345.db2.gz UODAPNAUDXBVCS-CQSZACIVSA-N -1 3 388.427 3.470 20 0 GGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000118664448 1413202900 /nfs/dbraw/zinc/20/29/00/1413202900.db2.gz KAJCZHNMUORUSV-XNJGSVPQSA-N -1 3 380.485 3.060 20 0 GGADHM CCc1cc2c(CN3CCN([C@H](C)c4cccnc4)CC3)cc(=O)oc2cc1[O-] ZINC000118835603 1413238144 /nfs/dbraw/zinc/23/81/44/1413238144.db2.gz DWUCPRFDLMANMW-MRXNPFEDSA-N -1 3 393.487 3.335 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3[C@H](C)C[C@H]4CCCC[C@@H]43)nc(=O)c2c1C ZINC000118850332 1413244763 /nfs/dbraw/zinc/24/47/63/1413244763.db2.gz AVLIZNWPSKPULK-RTXFEEFZSA-N -1 3 375.494 3.233 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000118952224 1413272678 /nfs/dbraw/zinc/27/26/78/1413272678.db2.gz HPRGNOUVKOALJW-HNNXBMFYSA-N -1 3 377.359 3.031 20 0 GGADHM CCOC(=O)c1c(C2CC2)csc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000119034751 1413311912 /nfs/dbraw/zinc/31/19/12/1413311912.db2.gz VMIDTNJOQWSTIF-UHFFFAOYSA-N -1 3 389.477 3.074 20 0 GGADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc([C@@H]3CCOC3)no2)c1 ZINC000119073762 1413326279 /nfs/dbraw/zinc/32/62/79/1413326279.db2.gz ZAXKTGHXBHHLLW-CYBMUJFWSA-N -1 3 389.408 3.180 20 0 GGADHM O=S1(=O)[N-]C(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)=Nc2ccccc21 ZINC000119125102 1413347391 /nfs/dbraw/zinc/34/73/91/1413347391.db2.gz CDWGSTBICMPXPT-MSOLQXFVSA-N -1 3 383.517 3.400 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N1Cc3ccccc3[C@@H](c3ccccc3)C1)c2[O-] ZINC000119128590 1413348494 /nfs/dbraw/zinc/34/84/94/1413348494.db2.gz FMYSABHGWMNTQM-HXUWFJFHSA-N -1 3 384.439 3.462 20 0 GGADHM O=C(N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000119181457 1413367863 /nfs/dbraw/zinc/36/78/63/1413367863.db2.gz IGEXFKACDKYUGQ-CQSZACIVSA-N -1 3 380.301 3.188 20 0 GGADHM O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000119210325 1413376079 /nfs/dbraw/zinc/37/60/79/1413376079.db2.gz NQSNPPOJOQTRJY-CQSZACIVSA-N -1 3 380.301 3.188 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(N2CCCC2=O)CC1 ZINC000177406793 1428721997 /nfs/dbraw/zinc/72/19/97/1428721997.db2.gz BVAAEYMHRJBGHJ-UHFFFAOYSA-N -1 3 380.444 3.412 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)c(C)o1 ZINC000119213867 1413377476 /nfs/dbraw/zinc/37/74/76/1413377476.db2.gz DCSUKFJIYMZWSY-OXQOHEQNSA-N -1 3 388.489 3.038 20 0 GGADHM O=C(COc1ccc(Oc2ccccn2)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000119278907 1413397520 /nfs/dbraw/zinc/39/75/20/1413397520.db2.gz KRARAOXBUJFWJK-UHFFFAOYSA-N -1 3 377.360 3.270 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](O)c1ccc(F)cc1 ZINC000119329402 1413413487 /nfs/dbraw/zinc/41/34/87/1413413487.db2.gz OPQMQCVIGYWWSK-PSLIRLAXSA-N -1 3 395.349 3.384 20 0 GGADHM Cc1c([O-])ccc2c(CNc3ccc(CS(C)(=O)=O)c(F)c3)cc(=O)oc12 ZINC000119390327 1413432141 /nfs/dbraw/zinc/43/21/41/1413432141.db2.gz JBSNRRMFWAVXPN-UHFFFAOYSA-N -1 3 391.420 3.103 20 0 GGADHM COc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000119407658 1413437335 /nfs/dbraw/zinc/43/73/35/1413437335.db2.gz RQFMMTGKBAJYCN-UHFFFAOYSA-N -1 3 380.441 3.163 20 0 GGADHM CC(=O)Oc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000119434067 1413446077 /nfs/dbraw/zinc/44/60/77/1413446077.db2.gz OYZQTEPTYZMIET-UHFFFAOYSA-N -1 3 392.440 3.326 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1F ZINC000119443503 1413448860 /nfs/dbraw/zinc/44/88/60/1413448860.db2.gz GNPZMXNFSIVWNQ-UHFFFAOYSA-N -1 3 386.395 3.433 20 0 GGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(Cc2ccon2)CC1 ZINC000177419800 1428729339 /nfs/dbraw/zinc/72/93/39/1428729339.db2.gz GYYKAVZPUPPXFW-UHFFFAOYSA-N -1 3 379.416 3.131 20 0 GGADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000177421841 1428729691 /nfs/dbraw/zinc/72/96/91/1428729691.db2.gz BPSSCPXKNIJJTF-UHFFFAOYSA-N -1 3 380.488 3.432 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)ccc1F ZINC000177424156 1428730664 /nfs/dbraw/zinc/73/06/64/1428730664.db2.gz QGYHOMZHESHNSX-ZDUSSCGKSA-N -1 3 394.468 3.012 20 0 GGADHM Cc1nc(-c2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)cs1 ZINC000119557341 1413485386 /nfs/dbraw/zinc/48/53/86/1413485386.db2.gz YPLOLNZRSYVVRW-UHFFFAOYSA-N -1 3 396.472 3.376 20 0 GGADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000119569436 1413489303 /nfs/dbraw/zinc/48/93/03/1413489303.db2.gz HDGQFEZETYGAJQ-UHFFFAOYSA-N -1 3 390.308 3.440 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCOC[C@H]3CC(=O)c3cccs3)cc(=O)oc12 ZINC000119575401 1413490643 /nfs/dbraw/zinc/49/06/43/1413490643.db2.gz ABODCMYZIGUYNJ-OAHLLOKOSA-N -1 3 399.468 3.342 20 0 GGADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1 ZINC000119577645 1413491174 /nfs/dbraw/zinc/49/11/74/1413491174.db2.gz YWPQCUVXWGKQOG-CYBMUJFWSA-N -1 3 389.408 3.180 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC(F)F)cc2)ccc1F ZINC000177425617 1428731516 /nfs/dbraw/zinc/73/15/16/1428731516.db2.gz NXQLAAKWNHSRGZ-UHFFFAOYSA-N -1 3 390.408 3.301 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000119583686 1413493861 /nfs/dbraw/zinc/49/38/61/1413493861.db2.gz YRHSLWJGBSNFQC-UHFFFAOYSA-N -1 3 396.534 3.049 20 0 GGADHM Cc1ccc(NC(=O)C2(N(C)C)CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000119598699 1413499473 /nfs/dbraw/zinc/49/94/73/1413499473.db2.gz TXOLSUSTVNGGRN-UHFFFAOYSA-N -1 3 387.505 3.219 20 0 GGADHM C[C@@H](CSCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000119603934 1413500815 /nfs/dbraw/zinc/50/08/15/1413500815.db2.gz VNFJGFKULMDPDO-KRWDZBQOSA-N -1 3 398.528 3.246 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)ccc1F ZINC000177431947 1428734703 /nfs/dbraw/zinc/73/47/03/1428734703.db2.gz CULPTSUZDDHLKK-LLVKDONJSA-N -1 3 384.860 3.220 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc3ccccc32)ccc1F ZINC000177428506 1428733265 /nfs/dbraw/zinc/73/32/65/1428733265.db2.gz ZCEWXDWBQNKYKQ-UHFFFAOYSA-N -1 3 386.448 3.159 20 0 GGADHM CCC[C@@](C)(O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000119666844 1413522695 /nfs/dbraw/zinc/52/26/95/1413522695.db2.gz BAFBDVNJVMRXQC-LJQANCHMSA-N -1 3 376.478 3.285 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCC(C)C)c2)ccc1F ZINC000177430944 1428733908 /nfs/dbraw/zinc/73/39/08/1428733908.db2.gz BMOADNUAFWQZHV-UHFFFAOYSA-N -1 3 380.441 3.021 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119711210 1413541159 /nfs/dbraw/zinc/54/11/59/1413541159.db2.gz MIHTXGYIAMXORQ-UHFFFAOYSA-N -1 3 384.461 3.454 20 0 GGADHM CCCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c(C)c1 ZINC000177435979 1428736681 /nfs/dbraw/zinc/73/66/81/1428736681.db2.gz VUGYNOBMHUSVQQ-UHFFFAOYSA-N -1 3 394.468 3.473 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000119771396 1413563675 /nfs/dbraw/zinc/56/36/75/1413563675.db2.gz QTHKJWIUTXZNLS-XLIONFOSSA-N -1 3 396.487 3.105 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C)s2)C(C)C)ccc1F ZINC000177439035 1428737318 /nfs/dbraw/zinc/73/73/18/1428737318.db2.gz XIJUXYOONZRYOQ-UHFFFAOYSA-N -1 3 384.498 3.155 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1 ZINC000119786568 1413568856 /nfs/dbraw/zinc/56/88/56/1413568856.db2.gz OFUNEXUSXUTOFS-MRXNPFEDSA-N -1 3 383.496 3.087 20 0 GGADHM Cc1nc(C)c(CC(=O)Nc2cccc(CSc3ccccn3)c2)c(=O)[n-]1 ZINC000119795186 1413571848 /nfs/dbraw/zinc/57/18/48/1413571848.db2.gz SDMHDHWMDUZJNT-UHFFFAOYSA-N -1 3 380.473 3.255 20 0 GGADHM CC1CCN(C(=O)c2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)CC1 ZINC000119981009 1413640826 /nfs/dbraw/zinc/64/08/26/1413640826.db2.gz PEUQJGXGKHEXKY-ZHZULCJRSA-N -1 3 389.455 3.282 20 0 GGADHM CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000120022838 1413657081 /nfs/dbraw/zinc/65/70/81/1413657081.db2.gz JXMDKNQJLPNGPW-ZDUSSCGKSA-N -1 3 375.899 3.201 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2cccc(OC(C)C)c2)cc1F ZINC000120035249 1413662555 /nfs/dbraw/zinc/66/25/55/1413662555.db2.gz XRTRKUVMBFAOBZ-KRWDZBQOSA-N -1 3 385.432 3.072 20 0 GGADHM Cc1cc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)n[nH]1 ZINC000120115955 1413693880 /nfs/dbraw/zinc/69/38/80/1413693880.db2.gz XBNKJDCEHZFXDF-UHFFFAOYSA-N -1 3 384.461 3.009 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000120136247 1413702044 /nfs/dbraw/zinc/70/20/44/1413702044.db2.gz MDWZJUWWOVGEQM-HNNXBMFYSA-N -1 3 387.860 3.278 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(N2CCCC2=O)c1 ZINC000120278691 1413765278 /nfs/dbraw/zinc/76/52/78/1413765278.db2.gz KJHNBPOIMDFEKJ-LBPRGKRZSA-N -1 3 380.416 3.131 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000120283229 1413766844 /nfs/dbraw/zinc/76/68/44/1413766844.db2.gz UJDGYTVNPBSEQF-LBPRGKRZSA-N -1 3 380.416 3.131 20 0 GGADHM O=C(NCCNC(=O)c1ccc(OC2CCC2)cc1Cl)c1ccc([O-])cc1 ZINC000120383792 1413806623 /nfs/dbraw/zinc/80/66/23/1413806623.db2.gz VAJQOJIRRYEOBJ-UHFFFAOYSA-N -1 3 388.851 3.137 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)c1 ZINC000120739883 1413889818 /nfs/dbraw/zinc/88/98/18/1413889818.db2.gz IJXNHRKPVHFMRS-AWEZNQCLSA-N -1 3 378.432 3.086 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 ZINC000120806961 1413909077 /nfs/dbraw/zinc/90/90/77/1413909077.db2.gz VKOLCFGXDAHKIF-ZFWWWQNUSA-N -1 3 395.297 3.457 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 ZINC000120806786 1413909279 /nfs/dbraw/zinc/90/92/79/1413909279.db2.gz VKOLCFGXDAHKIF-DZGCQCFKSA-N -1 3 395.297 3.457 20 0 GGADHM O=S(=O)([N-]c1ccncc1F)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000120846343 1413924546 /nfs/dbraw/zinc/92/45/46/1413924546.db2.gz PXXJKYLAPPHSLH-UHFFFAOYSA-N -1 3 396.337 3.439 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1cnc(Cl)c(Cl)c1 ZINC000120891723 1413939856 /nfs/dbraw/zinc/93/98/56/1413939856.db2.gz XCOHCNJMVWBSPI-LBPRGKRZSA-N -1 3 381.668 3.054 20 0 GGADHM COc1ccccc1C[C@H]1CCC[C@@H]1OC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000120915330 1413946510 /nfs/dbraw/zinc/94/65/10/1413946510.db2.gz FDYAKNXGVHFETA-XLIONFOSSA-N -1 3 384.476 3.283 20 0 GGADHM COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000120915627 1413947184 /nfs/dbraw/zinc/94/71/84/1413947184.db2.gz FDYAKNXGVHFETA-PXNSSMCTSA-N -1 3 384.476 3.283 20 0 GGADHM CCN(Cc1cccs1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000120939099 1413954117 /nfs/dbraw/zinc/95/41/17/1413954117.db2.gz SGJCBYQLBZSDBG-UHFFFAOYSA-N -1 3 384.498 3.236 20 0 GGADHM CC(C)c1nnc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)[nH]1 ZINC000120948999 1413957464 /nfs/dbraw/zinc/95/74/64/1413957464.db2.gz OEBMZASZDQRUKI-UHFFFAOYSA-N -1 3 377.861 3.141 20 0 GGADHM CCCOc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000120985130 1413968374 /nfs/dbraw/zinc/96/83/74/1413968374.db2.gz JLDDYWIJRXLPOI-UHFFFAOYSA-N -1 3 380.803 3.228 20 0 GGADHM CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000121000895 1413972671 /nfs/dbraw/zinc/97/26/71/1413972671.db2.gz DFZZIGIVWGGKRW-UHFFFAOYSA-N -1 3 380.803 3.228 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1F ZINC000177497247 1428770184 /nfs/dbraw/zinc/77/01/84/1428770184.db2.gz KPVIUTHBDOWZHT-UHFFFAOYSA-N -1 3 390.358 3.091 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CC(F)(F)F)ccc1F ZINC000177499408 1428770703 /nfs/dbraw/zinc/77/07/03/1428770703.db2.gz ZCHUCHLHOLPQML-UHFFFAOYSA-N -1 3 390.358 3.091 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)c2nc(-c3ccccc3)no2)cc1F ZINC000121034168 1413983863 /nfs/dbraw/zinc/98/38/63/1413983863.db2.gz OPNJLGHASBIIPP-LBPRGKRZSA-N -1 3 393.415 3.405 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1C(F)(F)F ZINC000121048264 1413988496 /nfs/dbraw/zinc/98/84/96/1413988496.db2.gz UYBKQXUZXIORTF-LBPRGKRZSA-N -1 3 399.312 3.135 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000121058028 1413991498 /nfs/dbraw/zinc/99/14/98/1413991498.db2.gz CQRFREFFUCEFBL-NSHDSACASA-N -1 3 382.215 3.284 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)ccc1F ZINC000177500720 1428771569 /nfs/dbraw/zinc/77/15/69/1428771569.db2.gz YPPOYKBTTZXXNK-UHFFFAOYSA-N -1 3 392.496 3.092 20 0 GGADHM Nc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000121077804 1413999118 /nfs/dbraw/zinc/99/91/18/1413999118.db2.gz AWDXJHOIWRBWAJ-UHFFFAOYSA-N -1 3 377.422 3.299 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000121136967 1414020997 /nfs/dbraw/zinc/02/09/97/1414020997.db2.gz IFVZVERVUPFBGW-ZDUSSCGKSA-N -1 3 383.388 3.092 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)c1nc(C(F)(F)F)cs1 ZINC000121154524 1414026804 /nfs/dbraw/zinc/02/68/04/1414026804.db2.gz UBJVLFRMDSGCGC-SSDOTTSWSA-N -1 3 392.384 3.128 20 0 GGADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000121204905 1414043324 /nfs/dbraw/zinc/04/33/24/1414043324.db2.gz OTANJOCTSQLBSF-UHFFFAOYSA-N -1 3 384.461 3.390 20 0 GGADHM COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccccn1)c1ccccc1OC ZINC000121213744 1414046154 /nfs/dbraw/zinc/04/61/54/1414046154.db2.gz GXRCDZMGQIEZLN-QGZVFWFLSA-N -1 3 390.486 3.228 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C)ccc1F ZINC000177512548 1428777339 /nfs/dbraw/zinc/77/73/39/1428777339.db2.gz OGDVGXHUWIZDSM-UHFFFAOYSA-N -1 3 390.358 3.313 20 0 GGADHM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1F ZINC000121262318 1414063187 /nfs/dbraw/zinc/06/31/87/1414063187.db2.gz PBNUBKJQVJWJDB-UHFFFAOYSA-N -1 3 378.425 3.047 20 0 GGADHM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000121348330 1414090808 /nfs/dbraw/zinc/09/08/08/1414090808.db2.gz ZHXGFHTYOCUCPJ-UHFFFAOYSA-N -1 3 399.476 3.093 20 0 GGADHM Cc1ccc(CCC2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)cc1 ZINC000121396493 1414106931 /nfs/dbraw/zinc/10/69/31/1414106931.db2.gz WBTZBGUYDJCLDN-UHFFFAOYSA-N -1 3 381.520 3.499 20 0 GGADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)cc1 ZINC000121431303 1414119470 /nfs/dbraw/zinc/11/94/70/1414119470.db2.gz WEZPYALSOPQUEU-CQSZACIVSA-N -1 3 376.478 3.255 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)ccc1F ZINC000177518422 1428779187 /nfs/dbraw/zinc/77/91/87/1428779187.db2.gz IQUIPZBLFSOOSC-VIFPVBQESA-N -1 3 388.823 3.017 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](c4ccccc4)[C@@H]3C)nc(=O)c2c1C ZINC000177535712 1428784867 /nfs/dbraw/zinc/78/48/67/1428784867.db2.gz JQFTUSPCKSXCDP-ZFWWWQNUSA-N -1 3 397.500 3.458 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C(C)C)c2)cc1 ZINC000121540383 1414168480 /nfs/dbraw/zinc/16/84/80/1414168480.db2.gz UJZDSLDTYLXLPL-UHFFFAOYSA-N -1 3 376.478 3.285 20 0 GGADHM COc1cc2c(cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O)oc1ccccc12 ZINC000121560407 1414177902 /nfs/dbraw/zinc/17/79/02/1414177902.db2.gz WVBPELPEZBXQHP-UHFFFAOYSA-N -1 3 377.400 3.476 20 0 GGADHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000121636305 1414208569 /nfs/dbraw/zinc/20/85/69/1414208569.db2.gz NSRIBARLLQVPJW-UHFFFAOYSA-N -1 3 380.366 3.441 20 0 GGADHM COc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([O-])c1 ZINC000121735429 1414240339 /nfs/dbraw/zinc/24/03/39/1414240339.db2.gz UBFAONFEVOIRPQ-UHFFFAOYSA-N -1 3 380.444 3.098 20 0 GGADHM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)cc21 ZINC000121843442 1414275719 /nfs/dbraw/zinc/27/57/19/1414275719.db2.gz KTTMLNONXVNJQZ-UHFFFAOYSA-N -1 3 382.388 3.319 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(NC(=O)C(C)C)cc2)cc1F ZINC000121875792 1414287483 /nfs/dbraw/zinc/28/74/83/1414287483.db2.gz UKBYWNVKSPAOTR-UHFFFAOYSA-N -1 3 382.432 3.346 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000121883906 1414290475 /nfs/dbraw/zinc/29/04/75/1414290475.db2.gz LDTPREJHSCIMAE-HOTGVXAUSA-N -1 3 390.505 3.418 20 0 GGADHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C)o1 ZINC000121889570 1414292194 /nfs/dbraw/zinc/29/21/94/1414292194.db2.gz ZWCGAXFBTOKZTG-OAHLLOKOSA-N -1 3 378.277 3.389 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccnc2OCC(F)(F)F)cc1F ZINC000121905415 1414301248 /nfs/dbraw/zinc/30/12/48/1414301248.db2.gz MWVFZOVPIKJELB-UHFFFAOYSA-N -1 3 396.337 3.088 20 0 GGADHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000121912762 1414304311 /nfs/dbraw/zinc/30/43/11/1414304311.db2.gz YHWVFJFJAPDRDR-OAHLLOKOSA-N -1 3 378.277 3.389 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc(F)c1F ZINC000121948809 1414319249 /nfs/dbraw/zinc/31/92/49/1414319249.db2.gz DHVNJMPVDNOSJT-UHFFFAOYSA-N -1 3 379.743 3.345 20 0 GGADHM CCc1cc(=O)[n-]c(CN2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)n1 ZINC000122000718 1414336071 /nfs/dbraw/zinc/33/60/71/1414336071.db2.gz RYSHOVQVROBYOU-UHFFFAOYSA-N -1 3 390.528 3.356 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000122057242 1414351400 /nfs/dbraw/zinc/35/14/00/1414351400.db2.gz NRLUYFPFYPPDNL-SFHVURJKSA-N -1 3 386.423 3.311 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000177579074 1428801481 /nfs/dbraw/zinc/80/14/81/1428801481.db2.gz CHVOJNQPNYLIEV-UHFFFAOYSA-N -1 3 381.476 3.214 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000177580484 1428802240 /nfs/dbraw/zinc/80/22/40/1428802240.db2.gz ZGUWNQIYXVITAS-UHFFFAOYSA-N -1 3 392.459 3.027 20 0 GGADHM Cc1cc(C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)c(C)n1-c1nccs1 ZINC000177581641 1428802683 /nfs/dbraw/zinc/80/26/83/1428802683.db2.gz BDUPHLLKOFAJBT-UHFFFAOYSA-N -1 3 383.473 3.332 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c(=O)[n-]1 ZINC000122188925 1414383143 /nfs/dbraw/zinc/38/31/43/1414383143.db2.gz DSFWWORFDZEGJG-OAQYLSRUSA-N -1 3 379.435 3.364 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc(F)cn2)CC1 ZINC000122213902 1414390602 /nfs/dbraw/zinc/39/06/02/1414390602.db2.gz VNFIGZRDHKRTMY-UHFFFAOYSA-N -1 3 392.818 3.462 20 0 GGADHM O=C(NCc1ccccc1)c1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000122266226 1414406060 /nfs/dbraw/zinc/40/60/60/1414406060.db2.gz PBGJFUFVKWLUPE-UHFFFAOYSA-N -1 3 398.422 3.105 20 0 GGADHM COc1cc(NC(C)=O)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000122270474 1414406711 /nfs/dbraw/zinc/40/67/11/1414406711.db2.gz KVZGJRPPMOVEGE-UHFFFAOYSA-N -1 3 383.379 3.195 20 0 GGADHM O=C(NCc1ccccc1)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000122290612 1414413631 /nfs/dbraw/zinc/41/36/31/1414413631.db2.gz DLVWYHKBNCKMLV-QNGOZBTKSA-N -1 3 397.434 3.340 20 0 GGADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122355947 1414432929 /nfs/dbraw/zinc/43/29/29/1414432929.db2.gz RWWZKRVLWMCWTF-UHFFFAOYSA-N -1 3 394.830 3.432 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000122408239 1414449921 /nfs/dbraw/zinc/44/99/21/1414449921.db2.gz NIIHNAGBTKXXRL-HNNXBMFYSA-N -1 3 397.870 3.079 20 0 GGADHM CCO[C@@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000821367667 1428815268 /nfs/dbraw/zinc/81/52/68/1428815268.db2.gz LUTZWVGURNTSMD-HXUWFJFHSA-N -1 3 393.491 3.447 20 0 GGADHM CCO[C@@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000821367667 1428815269 /nfs/dbraw/zinc/81/52/69/1428815269.db2.gz LUTZWVGURNTSMD-HXUWFJFHSA-N -1 3 393.491 3.447 20 0 GGADHM COc1ccc2oc(C)c(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2c1 ZINC000122690863 1414539810 /nfs/dbraw/zinc/53/98/10/1414539810.db2.gz NZVROXGSCBBGDQ-UHFFFAOYSA-N -1 3 394.427 3.054 20 0 GGADHM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000122743701 1414554023 /nfs/dbraw/zinc/55/40/23/1414554023.db2.gz WHLKMJYQGREABL-YGRLFVJLSA-N -1 3 375.277 3.179 20 0 GGADHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000122743973 1414554562 /nfs/dbraw/zinc/55/45/62/1414554562.db2.gz WHLKMJYQGREABL-QMTHXVAHSA-N -1 3 375.277 3.179 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000122743826 1414554590 /nfs/dbraw/zinc/55/45/90/1414554590.db2.gz WHLKMJYQGREABL-IINYFYTJSA-N -1 3 375.277 3.179 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000122783164 1414563867 /nfs/dbraw/zinc/56/38/67/1414563867.db2.gz DKGSTVDAZKYCOT-CYBMUJFWSA-N -1 3 398.413 3.181 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000122787646 1414565008 /nfs/dbraw/zinc/56/50/08/1414565008.db2.gz BRZYTHXBDDOXMP-UHFFFAOYSA-N -1 3 379.485 3.474 20 0 GGADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122909583 1414594397 /nfs/dbraw/zinc/59/43/97/1414594397.db2.gz NZYUKRZLCQLRKU-UHFFFAOYSA-N -1 3 396.491 3.124 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(C)o1 ZINC000177645706 1428821528 /nfs/dbraw/zinc/82/15/28/1428821528.db2.gz GSFDJSUMHPVBJD-LJQANCHMSA-N -1 3 398.484 3.210 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)sc1Br ZINC000123175828 1414660651 /nfs/dbraw/zinc/66/06/51/1414660651.db2.gz SBGYUDSSSICQAG-LBPRGKRZSA-N -1 3 390.324 3.221 20 0 GGADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc2[nH]1 ZINC000123249539 1414678317 /nfs/dbraw/zinc/67/83/17/1414678317.db2.gz CARJWYGCHQHCAO-UHFFFAOYSA-N -1 3 384.461 3.201 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3cnccn3)n2Cc2ccco2)n1 ZINC000123253157 1414679056 /nfs/dbraw/zinc/67/90/56/1414679056.db2.gz GJULKGRAQDHEFG-GFCCVEGCSA-N -1 3 395.448 3.034 20 0 GGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C2CC2)C(F)(F)F)ccc1F ZINC000123277744 1414685750 /nfs/dbraw/zinc/68/57/50/1414685750.db2.gz DRSVOLRJWRLMPS-ZDUSSCGKSA-N -1 3 397.390 3.400 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](c4ccccc4)C3)nc(=O)c2c1C ZINC000123351865 1414703930 /nfs/dbraw/zinc/70/39/30/1414703930.db2.gz PSIBZZBEFHZESA-CQSZACIVSA-N -1 3 383.473 3.069 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c1F ZINC000177698686 1428836377 /nfs/dbraw/zinc/83/63/77/1428836377.db2.gz DFXJLTZNOAWXAN-UHFFFAOYSA-N -1 3 391.395 3.383 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529866 1428838682 /nfs/dbraw/zinc/83/86/82/1428838682.db2.gz IHKSOXJTFUGERI-QWHCGFSZSA-N -1 3 396.426 3.374 20 0 GGADHM C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529866 1428838685 /nfs/dbraw/zinc/83/86/85/1428838685.db2.gz IHKSOXJTFUGERI-QWHCGFSZSA-N -1 3 396.426 3.374 20 0 GGADHM O=c1c([N-]S(=O)(=O)c2cc(F)cc(F)c2)cccn1Cc1ccc(F)cc1 ZINC000123798557 1414825682 /nfs/dbraw/zinc/82/56/82/1414825682.db2.gz BDFWUXKMQKKSAY-UHFFFAOYSA-N -1 3 394.374 3.115 20 0 GGADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC(C)(C)c2cccs2)c1F ZINC000177711753 1428840082 /nfs/dbraw/zinc/84/00/82/1428840082.db2.gz UALVNHDFEBKDDG-UHFFFAOYSA-N -1 3 389.445 3.069 20 0 GGADHM Cc1ccc(OCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC000123885662 1414843084 /nfs/dbraw/zinc/84/30/84/1414843084.db2.gz PFUQKWWWDVBAFX-UHFFFAOYSA-N -1 3 393.163 3.302 20 0 GGADHM Cc1ccc(OCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c(Br)c1 ZINC000123885662 1414843087 /nfs/dbraw/zinc/84/30/87/1414843087.db2.gz PFUQKWWWDVBAFX-UHFFFAOYSA-N -1 3 393.163 3.302 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000123887421 1414843589 /nfs/dbraw/zinc/84/35/89/1414843589.db2.gz DJXXAGPRGQXWDA-IINYFYTJSA-N -1 3 375.824 3.409 20 0 GGADHM COC(=O)c1c(CC(C)C)csc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000124149969 1414895508 /nfs/dbraw/zinc/89/55/08/1414895508.db2.gz RRMGBDOCROARBO-UHFFFAOYSA-N -1 3 391.493 3.005 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000124290044 1414930797 /nfs/dbraw/zinc/93/07/97/1414930797.db2.gz WJHYGLSHTFWWFJ-UHFFFAOYSA-N -1 3 398.507 3.093 20 0 GGADHM O=C(Nc1cccc(Cl)c1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124396174 1414957126 /nfs/dbraw/zinc/95/71/26/1414957126.db2.gz NTAKBRZMGHHVRY-UHFFFAOYSA-N -1 3 377.803 3.175 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ncc(-c2ccccc2)s1 ZINC000124480982 1414978275 /nfs/dbraw/zinc/97/82/75/1414978275.db2.gz RFHHGSIDSNKCAE-UHFFFAOYSA-N -1 3 382.445 3.067 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000124528887 1414988325 /nfs/dbraw/zinc/98/83/25/1414988325.db2.gz HQZBSJIUXLOJAX-UHFFFAOYSA-N -1 3 395.381 3.439 20 0 GGADHM Cc1sc(CC[N-]S(=O)(=O)c2cn(C)c(Cl)n2)nc1-c1ccccc1 ZINC000124572458 1414996974 /nfs/dbraw/zinc/99/69/74/1414996974.db2.gz UTVQLYWZMJUHGV-UHFFFAOYSA-N -1 3 396.925 3.026 20 0 GGADHM CCCCn1nccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000124692773 1415023341 /nfs/dbraw/zinc/02/33/41/1415023341.db2.gz GAAUFVQIKXACJQ-UHFFFAOYSA-N -1 3 396.488 3.151 20 0 GGADHM Cn1cc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)nc1Cl ZINC000124775019 1415041347 /nfs/dbraw/zinc/04/13/47/1415041347.db2.gz OODLBSVZKMHGEE-HNNXBMFYSA-N -1 3 397.287 3.190 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000124837538 1415055520 /nfs/dbraw/zinc/05/55/20/1415055520.db2.gz YLGGPJFBTOZVLF-CYBMUJFWSA-N -1 3 375.469 3.482 20 0 GGADHM COC(=O)Cc1nnc(NC(=O)c2ccccc2Nc2cccc(C)c2C)[n-]1 ZINC000124874086 1415064691 /nfs/dbraw/zinc/06/46/91/1415064691.db2.gz RECHAEFYZXFSLD-UHFFFAOYSA-N -1 3 379.420 3.133 20 0 GGADHM COC(=O)Cc1nc(NC(=O)c2ccccc2Nc2cccc(C)c2C)n[n-]1 ZINC000124874086 1415064695 /nfs/dbraw/zinc/06/46/95/1415064695.db2.gz RECHAEFYZXFSLD-UHFFFAOYSA-N -1 3 379.420 3.133 20 0 GGADHM Cn1cc(-c2csc([N-]C(=O)c3cc(-c4ccc5c(c4)CCO5)no3)n2)cn1 ZINC000124916541 1415072464 /nfs/dbraw/zinc/07/24/64/1415072464.db2.gz RGKHDIREJSRCOV-UHFFFAOYSA-N -1 3 393.428 3.386 20 0 GGADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(F)cccc3NC(C)C)ccc21 ZINC000124979000 1415084846 /nfs/dbraw/zinc/08/48/46/1415084846.db2.gz JBJPGDCSZONMLK-UHFFFAOYSA-N -1 3 391.468 3.356 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1F ZINC000125002885 1415089821 /nfs/dbraw/zinc/08/98/21/1415089821.db2.gz DBIOPBYYFDPYCN-UHFFFAOYSA-N -1 3 384.404 3.373 20 0 GGADHM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1[O-] ZINC000125156197 1415120591 /nfs/dbraw/zinc/12/05/91/1415120591.db2.gz IMNMBWMZRIJYGX-UHFFFAOYSA-N -1 3 386.429 3.024 20 0 GGADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1ccc(F)cc1C(F)(F)F ZINC000125194419 1415128079 /nfs/dbraw/zinc/12/80/79/1415128079.db2.gz XWGOATVIBUCXCR-UHFFFAOYSA-N -1 3 382.766 3.414 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccc(C(=O)N2CCCC2)n1 ZINC000125383711 1415182774 /nfs/dbraw/zinc/18/27/74/1415182774.db2.gz RQQVJMGPAJZVOL-UHFFFAOYSA-N -1 3 379.338 3.294 20 0 GGADHM CCOc1ccccc1C(=O)NCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125391919 1415185219 /nfs/dbraw/zinc/18/52/19/1415185219.db2.gz NNCRWYXJMQWAGU-UHFFFAOYSA-N -1 3 382.338 3.178 20 0 GGADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccco1)Cc1cccs1 ZINC000125551257 1415224796 /nfs/dbraw/zinc/22/47/96/1415224796.db2.gz MWZGUZQEGQQODT-UHFFFAOYSA-N -1 3 381.413 3.459 20 0 GGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1C ZINC000125599980 1415235531 /nfs/dbraw/zinc/23/55/31/1415235531.db2.gz OPHVYANWWIGRSH-UHFFFAOYSA-N -1 3 376.453 3.479 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)cc1 ZINC000125603747 1415235917 /nfs/dbraw/zinc/23/59/17/1415235917.db2.gz PYAMPWMXGXWZSQ-UHFFFAOYSA-N -1 3 388.489 3.431 20 0 GGADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000125701695 1415257297 /nfs/dbraw/zinc/25/72/97/1415257297.db2.gz AFUSZXNEFXSLRQ-CYBMUJFWSA-N -1 3 397.903 3.378 20 0 GGADHM Cc1ccc(NC(=O)NC[C@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000177921170 1428892176 /nfs/dbraw/zinc/89/21/76/1428892176.db2.gz CMHRPIBMUAHAKJ-DLBZAZTESA-N -1 3 383.496 3.394 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@@H](C)Cc2c(F)cccc2F)n1 ZINC000125747369 1415269115 /nfs/dbraw/zinc/26/91/15/1415269115.db2.gz CJWKFWAMIJJASL-NSHDSACASA-N -1 3 381.448 3.003 20 0 GGADHM Cc1nc2c(s1)[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)CCC2 ZINC000125794603 1415282797 /nfs/dbraw/zinc/28/27/97/1415282797.db2.gz AEQPLQCULVZDIU-CQSZACIVSA-N -1 3 384.454 3.197 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000125827649 1415291053 /nfs/dbraw/zinc/29/10/53/1415291053.db2.gz MEMMUOVQNNOVMN-ADLMAVQZSA-N -1 3 395.427 3.353 20 0 GGADHM O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Br)cc1[O-] ZINC000125967025 1415324425 /nfs/dbraw/zinc/32/44/25/1415324425.db2.gz VAYRIXWVDURBNT-UHFFFAOYSA-N -1 3 390.189 3.279 20 0 GGADHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000125983831 1415329429 /nfs/dbraw/zinc/32/94/29/1415329429.db2.gz UCJBSAFEQKCOIL-UHFFFAOYSA-N -1 3 380.198 3.381 20 0 GGADHM CC(C)(C)CCS(=O)(=O)[N-]C1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC000126110136 1415360814 /nfs/dbraw/zinc/36/08/14/1415360814.db2.gz KHDIRDXXZVSMSA-HNNXBMFYSA-N -1 3 399.557 3.479 20 0 GGADHM Cc1nc(C)c(CCC(=O)N2CCC(Oc3ccccc3Cl)CC2)c(=O)[n-]1 ZINC000126136248 1415366702 /nfs/dbraw/zinc/36/67/02/1415366702.db2.gz MXFHXMDVSNTGIA-UHFFFAOYSA-N -1 3 389.883 3.043 20 0 GGADHM Cc1cc([C@@](C)(O)CNC(=O)NCc2ccc([O-])c(Br)c2)c(C)o1 ZINC000126176565 1415377961 /nfs/dbraw/zinc/37/79/61/1415377961.db2.gz SQZCPFBLQWGQMU-KRWDZBQOSA-N -1 3 397.269 3.071 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3c(C)cccc3C)c2)n1 ZINC000177969912 1428907191 /nfs/dbraw/zinc/90/71/91/1428907191.db2.gz AVYDZWKGWCXWEE-UHFFFAOYSA-N -1 3 390.443 3.193 20 0 GGADHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCNc2cccc(C)n2)cc1 ZINC000126243854 1415392750 /nfs/dbraw/zinc/39/27/50/1415392750.db2.gz IPNYCRLJURTJAT-UHFFFAOYSA-N -1 3 396.520 3.238 20 0 GGADHM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000126299296 1415411001 /nfs/dbraw/zinc/41/10/01/1415411001.db2.gz AUYJGNHQRJQYRI-YVEFUNNKSA-N -1 3 393.281 3.466 20 0 GGADHM CCc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825711521 1428913701 /nfs/dbraw/zinc/91/37/01/1428913701.db2.gz DLJHCTVPGTZMLG-UHFFFAOYSA-N -1 3 387.491 3.462 20 0 GGADHM CCc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825711521 1428913703 /nfs/dbraw/zinc/91/37/03/1428913703.db2.gz DLJHCTVPGTZMLG-UHFFFAOYSA-N -1 3 387.491 3.462 20 0 GGADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1F ZINC000126469121 1415462361 /nfs/dbraw/zinc/46/23/61/1415462361.db2.gz TXVQYOYCAWPBHI-SNVBAGLBSA-N -1 3 396.415 3.072 20 0 GGADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000126571092 1415495473 /nfs/dbraw/zinc/49/54/73/1415495473.db2.gz WZEVZPUUBRUABS-CQSZACIVSA-N -1 3 387.867 3.274 20 0 GGADHM COc1cccc2c1OCC[C@@H]2N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826218321 1428935740 /nfs/dbraw/zinc/93/57/40/1428935740.db2.gz YUAJKNHURZXMLX-MSOLQXFVSA-N -1 3 377.448 3.366 20 0 GGADHM COc1cccc2c1OCC[C@@H]2N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826218321 1428935743 /nfs/dbraw/zinc/93/57/43/1428935743.db2.gz YUAJKNHURZXMLX-MSOLQXFVSA-N -1 3 377.448 3.366 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000126868720 1415590469 /nfs/dbraw/zinc/59/04/69/1415590469.db2.gz HZLZUNRQPFVWCU-UHFFFAOYSA-N -1 3 382.869 3.368 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000127010858 1415634548 /nfs/dbraw/zinc/63/45/48/1415634548.db2.gz ODSUPBVISYNJOJ-PBHICJAKSA-N -1 3 381.432 3.025 20 0 GGADHM CC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C ZINC000127032306 1415643991 /nfs/dbraw/zinc/64/39/91/1415643991.db2.gz FFXMCZMPGDJCTR-UHFFFAOYSA-N -1 3 390.436 3.030 20 0 GGADHM COc1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc2n1 ZINC000826179280 1428963402 /nfs/dbraw/zinc/96/34/02/1428963402.db2.gz HUVXKYANQIZDEG-GFCCVEGCSA-N -1 3 378.411 3.413 20 0 GGADHM COc1cc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc2n1 ZINC000826179280 1428963404 /nfs/dbraw/zinc/96/34/04/1428963404.db2.gz HUVXKYANQIZDEG-GFCCVEGCSA-N -1 3 378.411 3.413 20 0 GGADHM Cc1ccc([C@H]2CCN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)C2)cc1 ZINC000826285752 1428978113 /nfs/dbraw/zinc/97/81/13/1428978113.db2.gz IWJMTLKQQYOYQJ-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccc([C@H]2CCN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)C2)cc1 ZINC000826285752 1428978115 /nfs/dbraw/zinc/97/81/15/1428978115.db2.gz IWJMTLKQQYOYQJ-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)c2)n1 ZINC000127267416 1415710513 /nfs/dbraw/zinc/71/05/13/1415710513.db2.gz QBVMJQBJYVQNOM-CQSZACIVSA-N -1 3 398.507 3.269 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1OC ZINC000127298770 1415725744 /nfs/dbraw/zinc/72/57/44/1415725744.db2.gz VQWHQIANGODUPR-UHFFFAOYSA-N -1 3 380.441 3.244 20 0 GGADHM O=C(c1ccc(Oc2ccccc2)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000178115411 1428988310 /nfs/dbraw/zinc/98/83/10/1428988310.db2.gz KEEWOJFVIBNFOA-UHFFFAOYSA-N -1 3 392.411 3.376 20 0 GGADHM C[C@@H](SCCN1CCOCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000127413146 1415770563 /nfs/dbraw/zinc/77/05/63/1415770563.db2.gz FIUNRUGJKBPBGA-GFCCVEGCSA-N -1 3 391.518 3.371 20 0 GGADHM N#Cc1cccnc1Oc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000127418404 1415772305 /nfs/dbraw/zinc/77/23/05/1415772305.db2.gz PSBQWQVHBKIIIC-GHRIWEEISA-N -1 3 382.379 3.469 20 0 GGADHM O=C1[N-]C(=O)/C(=C/NCc2cccc(OCc3ccccn3)c2)c2ccccc21 ZINC000127428511 1415775664 /nfs/dbraw/zinc/77/56/64/1415775664.db2.gz XVUJCZGZUFWOMV-KGENOOAVSA-N -1 3 385.423 3.061 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)cc1F ZINC000178130903 1428993087 /nfs/dbraw/zinc/99/30/87/1428993087.db2.gz NOTURGKIEAKFMZ-UHFFFAOYSA-N -1 3 385.407 3.397 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824898054 1428995823 /nfs/dbraw/zinc/99/58/23/1428995823.db2.gz CRDWIQUCEISGFO-LWLIDHTLSA-N -1 3 396.882 3.446 20 0 GGADHM C[C@@H]1C[C@@H]1[C@@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824898054 1428995828 /nfs/dbraw/zinc/99/58/28/1428995828.db2.gz CRDWIQUCEISGFO-LWLIDHTLSA-N -1 3 396.882 3.446 20 0 GGADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c(C)c1C ZINC000178143145 1428997603 /nfs/dbraw/zinc/99/76/03/1428997603.db2.gz XYKRMXRILHWADF-UHFFFAOYSA-N -1 3 393.530 3.359 20 0 GGADHM CCOc1cc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OC(F)F ZINC000127504147 1415802131 /nfs/dbraw/zinc/80/21/31/1415802131.db2.gz GDYUWMRIAIANJW-PTNGSMBKSA-N -1 3 388.370 3.087 20 0 GGADHM CCOc1c(Cl)cc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1OC ZINC000127526121 1415804890 /nfs/dbraw/zinc/80/48/90/1415804890.db2.gz SVNZFZBYVTYYJE-PTNGSMBKSA-N -1 3 386.835 3.148 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000127808782 1415854706 /nfs/dbraw/zinc/85/47/06/1415854706.db2.gz VPCRXOHBACSELQ-AWEZNQCLSA-N -1 3 380.423 3.042 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)CCCC2)no1 ZINC000127816153 1415855986 /nfs/dbraw/zinc/85/59/86/1415855986.db2.gz JLFRAIRGUMCWTC-JTQLQIEISA-N -1 3 397.884 3.103 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000127896721 1415871952 /nfs/dbraw/zinc/87/19/52/1415871952.db2.gz QDXMYSJRHGVUBP-ZDUSSCGKSA-N -1 3 398.413 3.181 20 0 GGADHM CCOc1cc(F)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000127897940 1415872039 /nfs/dbraw/zinc/87/20/39/1415872039.db2.gz SXIUWNGJMSRRLQ-UHFFFAOYSA-N -1 3 396.415 3.057 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)ccc1F ZINC000178184534 1429011869 /nfs/dbraw/zinc/01/18/69/1429011869.db2.gz AZYLRKWCGUEYHB-UHFFFAOYSA-N -1 3 386.832 3.133 20 0 GGADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000178191228 1429014098 /nfs/dbraw/zinc/01/40/98/1429014098.db2.gz HJFRUAVIENDJFF-UHFFFAOYSA-N -1 3 387.461 3.293 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H](C)c1ccccc1 ZINC000824632536 1429015856 /nfs/dbraw/zinc/01/58/56/1429015856.db2.gz BBNKGIFBBPRMRQ-ZIAGYGMSSA-N -1 3 375.436 3.199 20 0 GGADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H](C)c1ccccc1 ZINC000824632536 1429015860 /nfs/dbraw/zinc/01/58/60/1429015860.db2.gz BBNKGIFBBPRMRQ-ZIAGYGMSSA-N -1 3 375.436 3.199 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1OC ZINC000128026209 1415896004 /nfs/dbraw/zinc/89/60/04/1415896004.db2.gz XXCYWWWJOPIAMU-UHFFFAOYSA-N -1 3 391.424 3.138 20 0 GGADHM O=C(c1occc1-c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128083750 1415908462 /nfs/dbraw/zinc/90/84/62/1415908462.db2.gz IDZOSMKEVLETHZ-UHFFFAOYSA-N -1 3 376.412 3.250 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000128088981 1415909538 /nfs/dbraw/zinc/90/95/38/1415909538.db2.gz GBXRDFCITOSPGB-UHFFFAOYSA-N -1 3 394.471 3.312 20 0 GGADHM O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000128107499 1415914074 /nfs/dbraw/zinc/91/40/74/1415914074.db2.gz QYNYQICAWGVTGY-GFCCVEGCSA-N -1 3 389.824 3.160 20 0 GGADHM O=C(CSc1ccc2ccccc2c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000128178570 1415932011 /nfs/dbraw/zinc/93/20/11/1415932011.db2.gz YBNOYWXLVJLNEN-UHFFFAOYSA-N -1 3 380.469 3.184 20 0 GGADHM Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc([O-])c2F)cs1 ZINC000128298173 1415957286 /nfs/dbraw/zinc/95/72/86/1415957286.db2.gz HQABKYCQHWAESM-UHFFFAOYSA-N -1 3 375.381 3.323 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1noc(-c2ccccc2)n1 ZINC000128310670 1415960253 /nfs/dbraw/zinc/96/02/53/1415960253.db2.gz LYMKXHSUGCOGQZ-NSHDSACASA-N -1 3 395.387 3.378 20 0 GGADHM C[C@@H](NC(=O)NN=c1ccc(Cl)n[n-]1)c1ccc(OCc2cccnc2)cc1 ZINC000128356449 1415970059 /nfs/dbraw/zinc/97/00/59/1415970059.db2.gz LMNCBHDSFJBKSJ-CYBMUJFWSA-N -1 3 398.854 3.491 20 0 GGADHM Fc1ccccc1COC1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826378629 1429035930 /nfs/dbraw/zinc/03/59/30/1429035930.db2.gz SWFRGNMKOPXUAO-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1ccccc1COC1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826378629 1429035933 /nfs/dbraw/zinc/03/59/33/1429035933.db2.gz SWFRGNMKOPXUAO-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM O=C(Cc1cccs1)Nc1nc(CC(=O)Nc2cccc([O-])c2F)cs1 ZINC000128560630 1416013464 /nfs/dbraw/zinc/01/34/64/1416013464.db2.gz LUWVWFYZUKJPBR-UHFFFAOYSA-N -1 3 391.449 3.412 20 0 GGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1S(=O)(=O)NC1CCCC1 ZINC000128685158 1416042677 /nfs/dbraw/zinc/04/26/77/1416042677.db2.gz DIOKQGNZQXICCT-UHFFFAOYSA-N -1 3 392.452 3.313 20 0 GGADHM Cc1cnn(CCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000128753725 1416059676 /nfs/dbraw/zinc/05/96/76/1416059676.db2.gz FTCASJAGYQAZCH-UHFFFAOYSA-N -1 3 398.488 3.330 20 0 GGADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000821304537 1429057656 /nfs/dbraw/zinc/05/76/56/1429057656.db2.gz JUJWRBVBZNDVQM-UHFFFAOYSA-N -1 3 391.479 3.147 20 0 GGADHM CCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000821304537 1429057662 /nfs/dbraw/zinc/05/76/62/1429057662.db2.gz JUJWRBVBZNDVQM-UHFFFAOYSA-N -1 3 391.479 3.147 20 0 GGADHM COC(=O)CCc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000178299507 1429045521 /nfs/dbraw/zinc/04/55/21/1429045521.db2.gz JMJFLJQJYWGSDN-UHFFFAOYSA-N -1 3 382.391 3.334 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(Cc3cccc4ccccc43)n2N)n1 ZINC000178358514 1429060267 /nfs/dbraw/zinc/06/02/67/1429060267.db2.gz AIWJSZRJRBKAFL-CYBMUJFWSA-N -1 3 392.488 3.393 20 0 GGADHM CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(F)cc1F ZINC000129131758 1416152499 /nfs/dbraw/zinc/15/24/99/1416152499.db2.gz XZSUMHSNZTYVJH-GOSISDBHSA-N -1 3 398.413 3.229 20 0 GGADHM CCN(CCC[N-]C(=O)C(F)(F)F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178391257 1429068120 /nfs/dbraw/zinc/06/81/20/1429068120.db2.gz JEGCXTAPVXSYCF-UHFFFAOYSA-N -1 3 399.335 3.034 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000129194998 1416168497 /nfs/dbraw/zinc/16/84/97/1416168497.db2.gz ZLBQNNDBBHHKTK-ABAIWWIYSA-N -1 3 391.386 3.115 20 0 GGADHM CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc([O-])c1F ZINC000129292903 1416186557 /nfs/dbraw/zinc/18/65/57/1416186557.db2.gz JWRMYNCYUXNJTD-QGZVFWFLSA-N -1 3 383.423 3.335 20 0 GGADHM CC(=O)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000129307699 1416188748 /nfs/dbraw/zinc/18/87/48/1416188748.db2.gz NFXWAHPAUAWFNL-ZDUSSCGKSA-N -1 3 392.452 3.032 20 0 GGADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(-n2cccc2)ccc1F ZINC000129396761 1416202842 /nfs/dbraw/zinc/20/28/42/1416202842.db2.gz ODBBBKAIWHHWEE-UHFFFAOYSA-N -1 3 391.406 3.321 20 0 GGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000129402769 1416203671 /nfs/dbraw/zinc/20/36/71/1416203671.db2.gz WAQPGXQOMMEMIE-LBPRGKRZSA-N -1 3 392.814 3.051 20 0 GGADHM O=C(Nc1cccc([O-])c1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000129481514 1416216742 /nfs/dbraw/zinc/21/67/42/1416216742.db2.gz DDGDKDGWABHCNE-VBKFSLOCSA-N -1 3 391.362 3.415 20 0 GGADHM CCN1CCO[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000129506353 1416220083 /nfs/dbraw/zinc/22/00/83/1416220083.db2.gz IYTNHQIZHLUFGS-KRWDZBQOSA-N -1 3 383.473 3.328 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnc(-c4ccccn4)s3)c2)n1 ZINC000129663503 1416244988 /nfs/dbraw/zinc/24/49/88/1416244988.db2.gz KQNDJJBMPIHVFU-UHFFFAOYSA-N -1 3 390.424 3.483 20 0 GGADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000129771666 1416261403 /nfs/dbraw/zinc/26/14/03/1416261403.db2.gz KRWUDVFCKSLAMT-UHFFFAOYSA-N -1 3 380.383 3.095 20 0 GGADHM O=C([N-]c1nc2ccc(F)cn2n1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000129889031 1416280354 /nfs/dbraw/zinc/28/03/54/1416280354.db2.gz AVLNZMSEMRGCJB-UHFFFAOYSA-N -1 3 397.801 3.232 20 0 GGADHM Cc1nc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)sc1Cc1ccccc1F ZINC000129910161 1416283418 /nfs/dbraw/zinc/28/34/18/1416283418.db2.gz BRMSUDNVGWODDM-UHFFFAOYSA-N -1 3 386.452 3.063 20 0 GGADHM Cc1nc(C)c(CC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c(=O)[n-]1 ZINC000129911239 1416283762 /nfs/dbraw/zinc/28/37/62/1416283762.db2.gz LHBKPFVKOLNOAH-HXUWFJFHSA-N -1 3 397.425 3.308 20 0 GGADHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc(Cl)c(F)c2)C1=O ZINC000129952874 1416290458 /nfs/dbraw/zinc/29/04/58/1416290458.db2.gz IFSRALHXFSWPDG-LJQANCHMSA-N -1 3 389.814 3.067 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000129999940 1416300118 /nfs/dbraw/zinc/30/01/18/1416300118.db2.gz BCVCRUMKWYAOCR-CYBMUJFWSA-N -1 3 388.411 3.441 20 0 GGADHM Cc1nccn1CCCCNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000130067167 1416311313 /nfs/dbraw/zinc/31/13/13/1416311313.db2.gz WPSXUPIKNGPHJI-UHFFFAOYSA-N -1 3 398.536 3.408 20 0 GGADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)c3ccccc32)ccc1F ZINC000130109032 1416319771 /nfs/dbraw/zinc/31/97/71/1416319771.db2.gz BZMITKMXMLDZQJ-ZDUSSCGKSA-N -1 3 376.453 3.276 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)c(C)o1 ZINC000130249874 1416346203 /nfs/dbraw/zinc/34/62/03/1416346203.db2.gz UFFXBKJNIBVPEE-GOSISDBHSA-N -1 3 394.468 3.297 20 0 GGADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c(C)c1 ZINC000130260811 1416348043 /nfs/dbraw/zinc/34/80/43/1416348043.db2.gz LFNBZMLMSBYPBA-UHFFFAOYSA-N -1 3 398.887 3.462 20 0 GGADHM O=C(NC[C@@H]1CCCS1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000130368985 1416366075 /nfs/dbraw/zinc/36/60/75/1416366075.db2.gz LLVMMBFDROVBLP-AWEZNQCLSA-N -1 3 394.493 3.252 20 0 GGADHM CCc1ccc([C@@H](C)CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000130406822 1416372506 /nfs/dbraw/zinc/37/25/06/1416372506.db2.gz QXLMKOOPFHMTGB-KRWDZBQOSA-N -1 3 380.488 3.433 20 0 GGADHM O=C([N-]c1nnc(C2CC2)s1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000130465065 1416382357 /nfs/dbraw/zinc/38/23/57/1416382357.db2.gz NRIAPAJMWCLWQK-UHFFFAOYSA-N -1 3 380.355 3.267 20 0 GGADHM O=C(NCCNC(=O)c1cccc(OC2CCCCC2)c1)c1ccc([O-])cc1 ZINC000130499676 1416388891 /nfs/dbraw/zinc/38/88/91/1416388891.db2.gz JHKLQXRKRDCXJF-UHFFFAOYSA-N -1 3 382.460 3.264 20 0 GGADHM COc1ccccc1[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccn1 ZINC000130536185 1416394990 /nfs/dbraw/zinc/39/49/90/1416394990.db2.gz BFMMUDSNWKOXGI-IYYMRFBLSA-N -1 3 385.423 3.080 20 0 GGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000130707331 1416430551 /nfs/dbraw/zinc/43/05/51/1416430551.db2.gz HPAKIWILWPJLHK-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000130707331 1416430564 /nfs/dbraw/zinc/43/05/64/1416430564.db2.gz HPAKIWILWPJLHK-UHFFFAOYSA-N -1 3 390.247 3.280 20 0 GGADHM c1cc(-c2nn[n-]n2)sc1CNCc1ccc(OCc2ccccn2)cc1 ZINC000823787031 1429099566 /nfs/dbraw/zinc/09/95/66/1429099566.db2.gz IAOYZWVRBATXQV-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM c1cc(-c2nnn[n-]2)sc1CNCc1ccc(OCc2ccccn2)cc1 ZINC000823787031 1429099573 /nfs/dbraw/zinc/09/95/73/1429099573.db2.gz IAOYZWVRBATXQV-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000130996397 1416493335 /nfs/dbraw/zinc/49/33/35/1416493335.db2.gz OQOVMFLRVKHZSN-SFHVURJKSA-N -1 3 395.503 3.102 20 0 GGADHM Cc1oc(-c2cccs2)nc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000131029189 1416497995 /nfs/dbraw/zinc/49/79/95/1416497995.db2.gz OKYYMMIIUPFHCY-UHFFFAOYSA-N -1 3 383.473 3.375 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1 ZINC000131069532 1416504555 /nfs/dbraw/zinc/50/45/55/1416504555.db2.gz VEJVHRSVTZXLAF-UHFFFAOYSA-N -1 3 382.338 3.254 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000131181981 1416520609 /nfs/dbraw/zinc/52/06/09/1416520609.db2.gz IDAOBWHQEJJGHG-CQSZACIVSA-N -1 3 376.478 3.171 20 0 GGADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000131202569 1416523069 /nfs/dbraw/zinc/52/30/69/1416523069.db2.gz UNOKZQTVZYJHAH-CQSZACIVSA-N -1 3 376.478 3.171 20 0 GGADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1O ZINC000131262624 1416531779 /nfs/dbraw/zinc/53/17/79/1416531779.db2.gz AKFKTTANLJABBA-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000131304162 1416537196 /nfs/dbraw/zinc/53/71/96/1416537196.db2.gz DAGRZEMMNYKWJK-UHFFFAOYSA-N -1 3 394.309 3.431 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000131421350 1416555140 /nfs/dbraw/zinc/55/51/40/1416555140.db2.gz YVQXVITZXKQQPA-XLIONFOSSA-N -1 3 391.471 3.432 20 0 GGADHM Cc1ccc(-c2nc([N-]C(=O)c3nc(N4CCCC4)ncc3Cl)n[nH]2)cc1 ZINC000131448937 1416559489 /nfs/dbraw/zinc/55/94/89/1416559489.db2.gz IDBHAEQZNSLJLY-UHFFFAOYSA-N -1 3 383.843 3.076 20 0 GGADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000131479376 1416563952 /nfs/dbraw/zinc/56/39/52/1416563952.db2.gz IGVDGVCWIFXRGO-UHFFFAOYSA-N -1 3 388.489 3.163 20 0 GGADHM Cc1ccc(Oc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cn2)cc1 ZINC000131488481 1416565243 /nfs/dbraw/zinc/56/52/43/1416565243.db2.gz UQFJWGIMSWKZSY-UHFFFAOYSA-N -1 3 378.432 3.454 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1OC ZINC000131504142 1416567907 /nfs/dbraw/zinc/56/79/07/1416567907.db2.gz VFADPYPXYJOSLB-UHFFFAOYSA-N -1 3 376.478 3.139 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2c(C)cccc2CC)ccc1OC ZINC000131516393 1416569923 /nfs/dbraw/zinc/56/99/23/1416569923.db2.gz AJMZIFHZMAEIDP-UHFFFAOYSA-N -1 3 390.505 3.393 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1OC ZINC000131528572 1416571695 /nfs/dbraw/zinc/57/16/95/1416571695.db2.gz XMERJPWTKFDULM-UHFFFAOYSA-N -1 3 396.896 3.484 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1OC ZINC000131530904 1416572155 /nfs/dbraw/zinc/57/21/55/1416572155.db2.gz ITWOHVMDDCLHDX-UHFFFAOYSA-N -1 3 396.896 3.484 20 0 GGADHM CCCCN(C)S(=O)(=O)[N-]c1cc(C)n(CCCOc2ccc(F)cc2)n1 ZINC000131598245 1416582544 /nfs/dbraw/zinc/58/25/44/1416582544.db2.gz JUGYMRNNBXZFGK-UHFFFAOYSA-N -1 3 398.504 3.188 20 0 GGADHM COCc1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)s1 ZINC000131600546 1416582805 /nfs/dbraw/zinc/58/28/05/1416582805.db2.gz GOFXXMKFKKFTKP-UHFFFAOYSA-N -1 3 390.490 3.301 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(CC)c2)ccc1OC ZINC000131606084 1416583332 /nfs/dbraw/zinc/58/33/32/1416583332.db2.gz KZBUJIWIJNBLOX-UHFFFAOYSA-N -1 3 376.478 3.085 20 0 GGADHM Cc1cccc([C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c2ccccn2)c1 ZINC000131779926 1416618675 /nfs/dbraw/zinc/61/86/75/1416618675.db2.gz SFAJXYHVUARSDR-LJQANCHMSA-N -1 3 386.411 3.185 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000131823771 1416629218 /nfs/dbraw/zinc/62/92/18/1416629218.db2.gz YVPPMFOHLXNSAW-OAHLLOKOSA-N -1 3 383.231 3.121 20 0 GGADHM Cc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])c(OCC(F)(F)F)c1 ZINC000131911037 1416649316 /nfs/dbraw/zinc/64/93/16/1416649316.db2.gz JYNPYBOLJUPNGO-UHFFFAOYSA-N -1 3 391.349 3.103 20 0 GGADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(CNC(=O)CC)c1 ZINC000131911093 1416649408 /nfs/dbraw/zinc/64/94/08/1416649408.db2.gz HQVCICDNULUSIG-UHFFFAOYSA-N -1 3 390.505 3.475 20 0 GGADHM COc1cc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)cc(OC)c1[O-] ZINC000131961882 1416660905 /nfs/dbraw/zinc/66/09/05/1416660905.db2.gz WUKIFGWEPMGFDU-UHFFFAOYSA-N -1 3 393.403 3.324 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC000178596998 1429117306 /nfs/dbraw/zinc/11/73/06/1429117306.db2.gz DDKQMIUMADGOQR-JTQLQIEISA-N -1 3 381.668 3.054 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3csc(-c4ccccn4)n3)c2)n1 ZINC000132011746 1416672751 /nfs/dbraw/zinc/67/27/51/1416672751.db2.gz VUGGMZUMVOFEPD-UHFFFAOYSA-N -1 3 390.424 3.483 20 0 GGADHM CCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000132039285 1416680285 /nfs/dbraw/zinc/68/02/85/1416680285.db2.gz KCJZRSQBDCWWBZ-RBUKOAKNSA-N -1 3 389.540 3.296 20 0 GGADHM CCC[C@H]1CN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CCO1 ZINC000132137000 1416705680 /nfs/dbraw/zinc/70/56/80/1416705680.db2.gz BAZVQNBPRMUIBF-STQMWFEESA-N -1 3 393.509 3.032 20 0 GGADHM O=C(NCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000132304165 1416732296 /nfs/dbraw/zinc/73/22/96/1416732296.db2.gz HXQGBDFUHPCAQB-UHFFFAOYSA-N -1 3 386.757 3.224 20 0 GGADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1OC ZINC000132327636 1416737047 /nfs/dbraw/zinc/73/70/47/1416737047.db2.gz JHZJTMNSFFDITO-UHFFFAOYSA-N -1 3 398.431 3.460 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000132387951 1416750424 /nfs/dbraw/zinc/75/04/24/1416750424.db2.gz IJMPPRCWBZYMAJ-HNNXBMFYSA-N -1 3 384.407 3.225 20 0 GGADHM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc3c(c1)C(=O)[N-]C3=O)CCC2 ZINC000132695552 1416804923 /nfs/dbraw/zinc/80/49/23/1416804923.db2.gz LZQRXRXZOZVBLT-CQSZACIVSA-N -1 3 384.461 3.130 20 0 GGADHM CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])c2ccccc2O1 ZINC000132701978 1416805859 /nfs/dbraw/zinc/80/58/59/1416805859.db2.gz DDNPFOSRLABDKO-FQEVSTJZSA-N -1 3 382.460 3.413 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc(-c3ccccc3)c2)c(C)o1 ZINC000132707999 1416806560 /nfs/dbraw/zinc/80/65/60/1416806560.db2.gz SXZKBVYCDWWCIN-UHFFFAOYSA-N -1 3 398.484 3.136 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1occc1CN1C(=O)Cc2ccccc21 ZINC000132738780 1416809670 /nfs/dbraw/zinc/80/96/70/1416809670.db2.gz OBSAVEZHQQAXTB-UHFFFAOYSA-N -1 3 380.375 3.144 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000132755429 1416811696 /nfs/dbraw/zinc/81/16/96/1416811696.db2.gz QHMZPLXACSVIBK-UHFFFAOYSA-N -1 3 395.434 3.318 20 0 GGADHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc2ccccn2n1 ZINC000132840396 1416821800 /nfs/dbraw/zinc/82/18/00/1416821800.db2.gz MQMVMWSYRHZPKY-UHFFFAOYSA-N -1 3 376.420 3.202 20 0 GGADHM O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000132995518 1416839966 /nfs/dbraw/zinc/83/99/66/1416839966.db2.gz GXNGJCTXKLNOLQ-UHFFFAOYSA-N -1 3 392.843 3.048 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000133002985 1416840743 /nfs/dbraw/zinc/84/07/43/1416840743.db2.gz FCJLVIFIBQNBHI-HNNXBMFYSA-N -1 3 390.842 3.353 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2ccc(OC3CCCCC3)cc2)c(=O)[n-]1 ZINC000133053082 1416846443 /nfs/dbraw/zinc/84/64/43/1416846443.db2.gz NMHYSCXQUTWEDQ-UHFFFAOYSA-N -1 3 383.492 3.347 20 0 GGADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)nnn1-c1ccc(F)c(Cl)c1 ZINC000133173957 1416860770 /nfs/dbraw/zinc/86/07/70/1416860770.db2.gz VYZGKCNLRCQDNW-UHFFFAOYSA-N -1 3 378.766 3.143 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000178677372 1429137823 /nfs/dbraw/zinc/13/78/23/1429137823.db2.gz ZQHOMELHYWZXKV-UHFFFAOYSA-N -1 3 395.846 3.192 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000133221479 1416866506 /nfs/dbraw/zinc/86/65/06/1416866506.db2.gz ILWJUBDYVDZPQC-UHFFFAOYSA-N -1 3 389.404 3.028 20 0 GGADHM Cc1ccc(C2N=NC(=S)N2CCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133222551 1416866558 /nfs/dbraw/zinc/86/65/58/1416866558.db2.gz OSPATZWXZFHTCA-UHFFFAOYSA-N -1 3 386.452 3.093 20 0 GGADHM Cc1csc(Sc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)n1 ZINC000133375919 1416883635 /nfs/dbraw/zinc/88/36/35/1416883635.db2.gz PVZNKAWHQNDITN-UHFFFAOYSA-N -1 3 386.502 3.484 20 0 GGADHM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000133407485 1416886758 /nfs/dbraw/zinc/88/67/58/1416886758.db2.gz PBJOAIZSAGFAMO-MRXNPFEDSA-N -1 3 378.350 3.033 20 0 GGADHM CS(=O)(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)c(Cl)cc1Cl ZINC000133642929 1416928835 /nfs/dbraw/zinc/92/88/35/1416928835.db2.gz MZXAIRJOUJCZLY-UHFFFAOYSA-N -1 3 392.235 3.172 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC(CC)(CC)CC)c2)n1 ZINC000133803163 1416966343 /nfs/dbraw/zinc/96/63/43/1416966343.db2.gz ICGVESRZEFLELH-UHFFFAOYSA-N -1 3 398.507 3.270 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2nc3ccccc3n2C2CCCC2)c(=O)[n-]1 ZINC000133870974 1416983587 /nfs/dbraw/zinc/98/35/87/1416983587.db2.gz VNFIKRPFIGAJEJ-UHFFFAOYSA-N -1 3 379.464 3.423 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cc(OC)c1[O-] ZINC000134062129 1417016626 /nfs/dbraw/zinc/01/66/26/1417016626.db2.gz LZMLOOBMDZYEKQ-AWEZNQCLSA-N -1 3 376.840 3.072 20 0 GGADHM O=C(Cc1cc(Cl)ccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000134115757 1417024324 /nfs/dbraw/zinc/02/43/24/1417024324.db2.gz NLAMNNWHTKCVGF-UHFFFAOYSA-N -1 3 393.270 3.226 20 0 GGADHM O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134117232 1417024634 /nfs/dbraw/zinc/02/46/34/1417024634.db2.gz XQQBEKQGPCXDTJ-UHFFFAOYSA-N -1 3 378.350 3.268 20 0 GGADHM C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1=O ZINC000134191939 1417035882 /nfs/dbraw/zinc/03/58/82/1417035882.db2.gz JEAYXWPHWJNSSW-JTQLQIEISA-N -1 3 380.322 3.164 20 0 GGADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000134221753 1417040106 /nfs/dbraw/zinc/04/01/06/1417040106.db2.gz RULISSTWFVWPGY-GFCCVEGCSA-N -1 3 387.402 3.427 20 0 GGADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cncn4)cc3)cc(Cl)c2O1 ZINC000134448464 1417069705 /nfs/dbraw/zinc/06/97/05/1417069705.db2.gz RMAKBJZJDYDVLX-LLVKDONJSA-N -1 3 390.852 3.045 20 0 GGADHM CC[C@H](C)n1ncc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C1CC1 ZINC000134487059 1417075790 /nfs/dbraw/zinc/07/57/90/1417075790.db2.gz XZPDVJGDEWSGBZ-HNNXBMFYSA-N -1 3 396.491 3.035 20 0 GGADHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000134493261 1417076412 /nfs/dbraw/zinc/07/64/12/1417076412.db2.gz LAXSNLNIUREUOV-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(C)c2)sc1Br ZINC000134498627 1417077353 /nfs/dbraw/zinc/07/73/53/1417077353.db2.gz URBWVEHJDMIPAE-LBPRGKRZSA-N -1 3 390.324 3.139 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000134865710 1417135576 /nfs/dbraw/zinc/13/55/76/1417135576.db2.gz OTHNYZFKZRWANX-UHFFFAOYSA-N -1 3 385.346 3.204 20 0 GGADHM CC(C)(C)OC(=O)N(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000134865710 1417135579 /nfs/dbraw/zinc/13/55/79/1417135579.db2.gz OTHNYZFKZRWANX-UHFFFAOYSA-N -1 3 385.346 3.204 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000134959715 1417152286 /nfs/dbraw/zinc/15/22/86/1417152286.db2.gz JOJOVYXCFLUNRD-UHFFFAOYSA-N -1 3 396.340 3.148 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000134968011 1417154030 /nfs/dbraw/zinc/15/40/30/1417154030.db2.gz QXAYQCQCQHJLOF-UHFFFAOYSA-N -1 3 399.390 3.248 20 0 GGADHM COC(=O)Cc1nc(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)n[n-]1 ZINC000135172260 1417180837 /nfs/dbraw/zinc/18/08/37/1417180837.db2.gz SIROQZJSMRXTMS-UHFFFAOYSA-N -1 3 390.443 3.053 20 0 GGADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)nc2Br)c1 ZINC000135242738 1417194329 /nfs/dbraw/zinc/19/43/29/1417194329.db2.gz DXBYKAZYVNQZHE-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)nc2Br)cc1C ZINC000135243721 1417194936 /nfs/dbraw/zinc/19/49/36/1417194936.db2.gz NELYDTMISOIDCR-UHFFFAOYSA-N -1 3 399.266 3.048 20 0 GGADHM O=C1[N-]C(=O)C(=CNc2ccc(OCC3CCOCC3)cc2)c2ccccc21 ZINC000135292638 1417204260 /nfs/dbraw/zinc/20/42/60/1417204260.db2.gz ASQZHRSHHHUHIZ-DEDYPNTBSA-N -1 3 378.428 3.215 20 0 GGADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)ccc1F ZINC000135295213 1417204679 /nfs/dbraw/zinc/20/46/79/1417204679.db2.gz SGGGDZAMPOVNNP-UHFFFAOYSA-N -1 3 391.468 3.494 20 0 GGADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4cnccc43)cc2)CCO1 ZINC000135327731 1417208144 /nfs/dbraw/zinc/20/81/44/1417208144.db2.gz BPWQPGFOYZSPBK-HNNXBMFYSA-N -1 3 383.473 3.261 20 0 GGADHM CCC[C@H](C)[C@@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000135345493 1417210071 /nfs/dbraw/zinc/21/00/71/1417210071.db2.gz KRPODZWODHHAKW-AAEUAGOBSA-N -1 3 377.510 3.480 20 0 GGADHM CCC[C@H](C)[C@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000135345530 1417210132 /nfs/dbraw/zinc/21/01/32/1417210132.db2.gz KRPODZWODHHAKW-WCQYABFASA-N -1 3 377.510 3.480 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CC(C)(C)Oc4ccccc43)nc(=O)c2c1C ZINC000135505398 1417230304 /nfs/dbraw/zinc/23/03/04/1417230304.db2.gz HSCVXPDOEUAAPN-UHFFFAOYSA-N -1 3 399.472 3.257 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1C ZINC000135517249 1417232291 /nfs/dbraw/zinc/23/22/91/1417232291.db2.gz KQFMJOVHAWJTSN-UHFFFAOYSA-N -1 3 395.387 3.396 20 0 GGADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000136044517 1417287740 /nfs/dbraw/zinc/28/77/40/1417287740.db2.gz PWVBMDFBOIKUTJ-UHFFFAOYSA-N -1 3 387.439 3.052 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)ccc1F ZINC000136197592 1417300315 /nfs/dbraw/zinc/30/03/15/1417300315.db2.gz TYGJEWKIFWTNPE-UHFFFAOYSA-N -1 3 397.859 3.214 20 0 GGADHM CCc1cc2c(CN(C)Cc3ccc([S@](C)=O)cc3)cc(=O)oc2cc1[O-] ZINC000178800631 1429174603 /nfs/dbraw/zinc/17/46/03/1429174603.db2.gz GACHUVBDUVWWQY-MHZLTWQESA-N -1 3 385.485 3.430 20 0 GGADHM COc1ccc(C[C@@H](C)CNC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000136452613 1417317902 /nfs/dbraw/zinc/31/79/02/1417317902.db2.gz XCDXIJNDINRPSN-CYBMUJFWSA-N -1 3 376.428 3.227 20 0 GGADHM CC(C)(C)OC(=O)NCCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000137296471 1417379493 /nfs/dbraw/zinc/37/94/93/1417379493.db2.gz MVJBORXSRAQOKB-UHFFFAOYSA-N -1 3 392.477 3.391 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000826231975 1429180692 /nfs/dbraw/zinc/18/06/92/1429180692.db2.gz YPBAZPKLGWHKBR-SECBINFHSA-N -1 3 377.221 3.014 20 0 GGADHM C[C@@H](NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000826231975 1429180696 /nfs/dbraw/zinc/18/06/96/1429180696.db2.gz YPBAZPKLGWHKBR-SECBINFHSA-N -1 3 377.221 3.014 20 0 GGADHM O=c1nc(CN2CCN(c3nccs3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000140645713 1417509903 /nfs/dbraw/zinc/50/99/03/1417509903.db2.gz AWCDYRMODAVIQT-UHFFFAOYSA-N -1 3 399.501 3.023 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000141724864 1417554127 /nfs/dbraw/zinc/55/41/27/1417554127.db2.gz COLJFDMZEJSSLJ-UHFFFAOYSA-N -1 3 377.847 3.212 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccccc2Cl)o1 ZINC000143542449 1417639386 /nfs/dbraw/zinc/63/93/86/1417639386.db2.gz SNPIVCZORZVFGC-ZDUSSCGKSA-N -1 3 393.871 3.003 20 0 GGADHM O=S(=O)(/C=C/c1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000178865568 1429202044 /nfs/dbraw/zinc/20/20/44/1429202044.db2.gz XTMINSIFHSBMGF-BQYQJAHWSA-N -1 3 386.242 3.384 20 0 GGADHM COc1cc(Cl)c(C)cc1NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000146364898 1417717683 /nfs/dbraw/zinc/71/76/83/1417717683.db2.gz SCLASZMJIGZRAV-UHFFFAOYSA-N -1 3 378.772 3.032 20 0 GGADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c1 ZINC000146540428 1417722992 /nfs/dbraw/zinc/72/29/92/1417722992.db2.gz RQMRLNIMUJTDCM-CQSZACIVSA-N -1 3 381.450 3.128 20 0 GGADHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc2[nH]1 ZINC000150807725 1417810827 /nfs/dbraw/zinc/81/08/27/1417810827.db2.gz XXOJUNWISGXMAF-UHFFFAOYSA-N -1 3 385.445 3.332 20 0 GGADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150851271 1417820504 /nfs/dbraw/zinc/82/05/04/1417820504.db2.gz AQGHNEWHIBKBHW-SJLPKXTDSA-N -1 3 394.537 3.320 20 0 GGADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150851046 1417820595 /nfs/dbraw/zinc/82/05/95/1417820595.db2.gz JIJWCEYWZUSVLZ-MAUKXSAKSA-N -1 3 394.537 3.178 20 0 GGADHM N#Cc1ccc(Oc2cccc(NC(=O)c3nnc4ccccc4c3[O-])c2)nc1 ZINC000150968851 1417845249 /nfs/dbraw/zinc/84/52/49/1417845249.db2.gz KRIUAAFVRNJFBJ-UHFFFAOYSA-N -1 3 383.367 3.234 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccco3)n2)c1 ZINC000151168790 1417886606 /nfs/dbraw/zinc/88/66/06/1417886606.db2.gz RTFVDGJBARVTNE-UHFFFAOYSA-N -1 3 395.437 3.045 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2nc(Cl)ccc2Cl)c1 ZINC000151171021 1417886999 /nfs/dbraw/zinc/88/69/99/1417886999.db2.gz YOSLRFDPAWIXBC-UHFFFAOYSA-N -1 3 392.239 3.030 20 0 GGADHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1 ZINC000151271915 1417910506 /nfs/dbraw/zinc/91/05/06/1417910506.db2.gz YZPVDMSWMDKPSI-QGZVFWFLSA-N -1 3 387.553 3.105 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(F)(F)F)nc3C)nc21 ZINC000178934939 1429224412 /nfs/dbraw/zinc/22/44/12/1429224412.db2.gz WYONZBOPTGDSBN-UHFFFAOYSA-N -1 3 378.310 3.324 20 0 GGADHM CC(C)(C)[C@@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1cccs1 ZINC000151549226 1418021028 /nfs/dbraw/zinc/02/10/28/1418021028.db2.gz XKKCZFRNSBZEGV-IBGZPJMESA-N -1 3 390.505 3.468 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1ncc(-c2ccccc2)o1 ZINC000151574130 1418029436 /nfs/dbraw/zinc/02/94/36/1418029436.db2.gz RHSFZKJVAUMKTK-ZDUSSCGKSA-N -1 3 386.429 3.152 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3cccnc3)nc(=O)c2c1C ZINC000151599681 1418036222 /nfs/dbraw/zinc/03/62/22/1418036222.db2.gz YYIQHOXIYPIJJM-LBPRGKRZSA-N -1 3 386.477 3.058 20 0 GGADHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151608370 1418039300 /nfs/dbraw/zinc/03/93/00/1418039300.db2.gz VFXYOHRSORHINX-GFCCVEGCSA-N -1 3 387.274 3.074 20 0 GGADHM Cc1nc(-c2ccc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)n[nH]1 ZINC000151631721 1418045579 /nfs/dbraw/zinc/04/55/79/1418045579.db2.gz HAUQDYNLXBBMJT-UHFFFAOYSA-N -1 3 387.399 3.058 20 0 GGADHM C[C@H](CS(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000151718747 1418070721 /nfs/dbraw/zinc/07/07/21/1418070721.db2.gz BGWDJSGZKMVGHO-CVEARBPZSA-N -1 3 385.489 3.445 20 0 GGADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(OC[C@@H]2CCCO2)c1 ZINC000151813187 1418092881 /nfs/dbraw/zinc/09/28/81/1418092881.db2.gz FCSVRZFQHGOPEI-KRWDZBQOSA-N -1 3 388.439 3.397 20 0 GGADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000152087841 1418141314 /nfs/dbraw/zinc/14/13/14/1418141314.db2.gz BYOHSQGGURSZRP-UHFFFAOYSA-N -1 3 389.456 3.431 20 0 GGADHM C/C(=C\c1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179021963 1429244505 /nfs/dbraw/zinc/24/45/05/1429244505.db2.gz GMDIPZQWGQMEKK-CCEZHUSRSA-N -1 3 384.863 3.434 20 0 GGADHM O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCc2nc[n-]c(=O)c2C1 ZINC000179048987 1429249554 /nfs/dbraw/zinc/24/95/54/1429249554.db2.gz RGZHZTSGCWXRDY-UHFFFAOYSA-N -1 3 380.835 3.047 20 0 GGADHM CC(C)c1ccc(-c2nc(C(=O)N3CCc4nc[n-]c(=O)c4C3)cs2)cc1 ZINC000179056569 1429251986 /nfs/dbraw/zinc/25/19/86/1429251986.db2.gz XCPZHDGAMXAUQT-UHFFFAOYSA-N -1 3 380.473 3.215 20 0 GGADHM O=C(c1ccc(CSc2ccccc2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179060015 1429252443 /nfs/dbraw/zinc/25/24/43/1429252443.db2.gz RTXVAKGZLKQOSJ-UHFFFAOYSA-N -1 3 377.469 3.261 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@H]3CCCC[C@H]32)c(-c2nn[n-]n2)c1C ZINC000822557423 1429261591 /nfs/dbraw/zinc/26/15/91/1429261591.db2.gz ICVCPYPDDZCETR-NILFDRSVSA-N -1 3 388.541 3.384 20 0 GGADHM Cc1sc(NC(=O)CN2CC[C@H](C)[C@H]3CCCC[C@H]32)c(-c2nnn[n-]2)c1C ZINC000822557423 1429261597 /nfs/dbraw/zinc/26/15/97/1429261597.db2.gz ICVCPYPDDZCETR-NILFDRSVSA-N -1 3 388.541 3.384 20 0 GGADHM COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc(OC)c1[O-] ZINC000179165195 1429283123 /nfs/dbraw/zinc/28/31/23/1429283123.db2.gz MNOCQFKBIDLFKU-HNNXBMFYSA-N -1 3 378.856 3.096 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)cc2)CC1 ZINC000825466343 1429285542 /nfs/dbraw/zinc/28/55/42/1429285542.db2.gz ZSXHHUHUGOTOOZ-OAHLLOKOSA-N -1 3 395.486 3.321 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2)CC1 ZINC000825466343 1429285549 /nfs/dbraw/zinc/28/55/49/1429285549.db2.gz ZSXHHUHUGOTOOZ-OAHLLOKOSA-N -1 3 395.486 3.321 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000179184131 1429288178 /nfs/dbraw/zinc/28/81/78/1429288178.db2.gz UOFOTXLXVMZWKS-KRWDZBQOSA-N -1 3 396.365 3.416 20 0 GGADHM CCOc1c(OC)cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000736627122 1429309011 /nfs/dbraw/zinc/30/90/11/1429309011.db2.gz LNGCDFGEVPMJAT-ZDUSSCGKSA-N -1 3 383.452 3.133 20 0 GGADHM CCOc1c(OC)cc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000736627122 1429309017 /nfs/dbraw/zinc/30/90/17/1429309017.db2.gz LNGCDFGEVPMJAT-ZDUSSCGKSA-N -1 3 383.452 3.133 20 0 GGADHM FC(F)(F)COCc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826367699 1429343641 /nfs/dbraw/zinc/34/36/41/1429343641.db2.gz KUOFKPUCVMNRMA-UHFFFAOYSA-N -1 3 377.370 3.235 20 0 GGADHM FC(F)(F)COCc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826367699 1429343646 /nfs/dbraw/zinc/34/36/46/1429343646.db2.gz KUOFKPUCVMNRMA-UHFFFAOYSA-N -1 3 377.370 3.235 20 0 GGADHM CN1C(=O)C[C@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361422 1429344051 /nfs/dbraw/zinc/34/40/51/1429344051.db2.gz BRIRVSSKVQATCG-SGTLLEGYSA-N -1 3 394.805 3.160 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3occc32)c1 ZINC000179415661 1429365923 /nfs/dbraw/zinc/36/59/23/1429365923.db2.gz VHDUERPDIJVHHR-INIZCTEOSA-N -1 3 381.388 3.341 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccncc2)c1 ZINC000179460236 1429383894 /nfs/dbraw/zinc/38/38/94/1429383894.db2.gz BRXARXJSHLEBPL-LBPRGKRZSA-N -1 3 380.404 3.169 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)ccc2F)c1 ZINC000179482377 1429389313 /nfs/dbraw/zinc/38/93/13/1429389313.db2.gz QOYDHIVOASECJM-UHFFFAOYSA-N -1 3 387.342 3.149 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCc2cccn2C)c1 ZINC000179520395 1429407735 /nfs/dbraw/zinc/40/77/35/1429407735.db2.gz JBVMUPCTELZUSF-CYBMUJFWSA-N -1 3 396.447 3.031 20 0 GGADHM Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(C(=O)c3ccc([O-])cc3)CC1)CCC2 ZINC000179557199 1429431026 /nfs/dbraw/zinc/43/10/26/1429431026.db2.gz CHACCUQSFMIZHE-OAQYLSRUSA-N -1 3 393.487 3.246 20 0 GGADHM Cc1ccsc1CN1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000826316118 1429439926 /nfs/dbraw/zinc/43/99/26/1429439926.db2.gz DEFHQTDAZQFVCM-UHFFFAOYSA-N -1 3 391.504 3.107 20 0 GGADHM Cc1ccsc1CN1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000826316118 1429439933 /nfs/dbraw/zinc/43/99/33/1429439933.db2.gz DEFHQTDAZQFVCM-UHFFFAOYSA-N -1 3 391.504 3.107 20 0 GGADHM COC(=O)c1sc2[n-]c(CNC(C)(C)c3cccc(F)c3)nc(=O)c2c1C ZINC000179574992 1429445867 /nfs/dbraw/zinc/44/58/67/1429445867.db2.gz IXWWGQLFXUQDNF-UHFFFAOYSA-N -1 3 389.452 3.244 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820913986 1429479863 /nfs/dbraw/zinc/47/98/63/1429479863.db2.gz MAFYJKKJNLVUBV-GOSISDBHSA-N -1 3 389.463 3.370 20 0 GGADHM CC[C@H](Cc1ccccc1)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820913986 1429479865 /nfs/dbraw/zinc/47/98/65/1429479865.db2.gz MAFYJKKJNLVUBV-GOSISDBHSA-N -1 3 389.463 3.370 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826341199 1429486803 /nfs/dbraw/zinc/48/68/03/1429486803.db2.gz ABKGKFMPYWWHSK-KRWDZBQOSA-N -1 3 382.468 3.392 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826341199 1429486805 /nfs/dbraw/zinc/48/68/05/1429486805.db2.gz ABKGKFMPYWWHSK-KRWDZBQOSA-N -1 3 382.468 3.392 20 0 GGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179651728 1429489786 /nfs/dbraw/zinc/48/97/86/1429489786.db2.gz WSAZARNKOMUOHX-IIBYNOLFSA-N -1 3 393.487 3.183 20 0 GGADHM CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000179650988 1429489863 /nfs/dbraw/zinc/48/98/63/1429489863.db2.gz WHRLRTABASKHNP-HNNXBMFYSA-N -1 3 376.453 3.330 20 0 GGADHM Cc1nc(-c2ccccc2)sc1COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000152333780 1422074986 /nfs/dbraw/zinc/07/49/86/1422074986.db2.gz GVXZRVDYPJRUSS-HNNXBMFYSA-N -1 3 396.534 3.126 20 0 GGADHM CCc1nn(C)cc1C=C(Cl)c1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000179731866 1429527060 /nfs/dbraw/zinc/52/70/60/1429527060.db2.gz OKEHQNJHKOSLGJ-POHAHGRESA-N -1 3 392.868 3.112 20 0 GGADHM COc1cc(C(=O)NCc2nccn2CCCc2ccccc2)cc(OC)c1[O-] ZINC000152533919 1422133903 /nfs/dbraw/zinc/13/39/03/1422133903.db2.gz YWNMKBZMMDKXEK-UHFFFAOYSA-N -1 3 395.459 3.169 20 0 GGADHM CC1(C)C[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000152614940 1422166685 /nfs/dbraw/zinc/16/66/85/1422166685.db2.gz YRQUHUXJWGUPHO-FQEVSTJZSA-N -1 3 393.487 3.282 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H](c3ccccc3)C[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737546606 1429536072 /nfs/dbraw/zinc/53/60/72/1429536072.db2.gz DMEQCNYQOBVGSK-RVSPLBMKSA-N -1 3 394.479 3.282 20 0 GGADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000152681228 1422206202 /nfs/dbraw/zinc/20/62/02/1422206202.db2.gz GLRGJZUOXJODME-HZPDHXFCSA-N -1 3 388.464 3.499 20 0 GGADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccco1 ZINC000152720541 1422224492 /nfs/dbraw/zinc/22/44/92/1422224492.db2.gz GDTFUBNENNXEOK-QGZVFWFLSA-N -1 3 375.450 3.203 20 0 GGADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccco1 ZINC000152734100 1422230382 /nfs/dbraw/zinc/23/03/82/1422230382.db2.gz OETMTBVNDGYKIG-KRWDZBQOSA-N -1 3 378.837 3.405 20 0 GGADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000152745440 1422234462 /nfs/dbraw/zinc/23/44/62/1422234462.db2.gz TVMBRCSHZFBFHH-UKRRQHHQSA-N -1 3 398.475 3.104 20 0 GGADHM O=C(NN=c1[n-]c(Br)cn2ccnc12)Nc1ccc(F)c(Cl)c1 ZINC000152948187 1422304839 /nfs/dbraw/zinc/30/48/39/1422304839.db2.gz PNKCNIXWEQPMOI-UHFFFAOYSA-N -1 3 399.611 3.433 20 0 GGADHM Cc1ccc(C(C)C)c(OCCC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000153034930 1422334271 /nfs/dbraw/zinc/33/42/71/1422334271.db2.gz GWXXQJHYWSAJBP-UHFFFAOYSA-N -1 3 384.476 3.139 20 0 GGADHM C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000153097269 1422355802 /nfs/dbraw/zinc/35/58/02/1422355802.db2.gz GRZGLOHSDLTQQM-KKSFZXQISA-N -1 3 393.487 3.498 20 0 GGADHM CCCOc1cc(C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000153204072 1422392538 /nfs/dbraw/zinc/39/25/38/1422392538.db2.gz CJCUIPIBVWALMN-IBGZPJMESA-N -1 3 396.487 3.410 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncc(OC(C)C)c3)c2)n1 ZINC000153259644 1422424893 /nfs/dbraw/zinc/42/48/93/1422424893.db2.gz OVGDIJXRSZHFRX-UHFFFAOYSA-N -1 3 378.432 3.434 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000153331740 1422474071 /nfs/dbraw/zinc/47/40/71/1422474071.db2.gz YLAXWHBKQYXGDI-ZDUSSCGKSA-N -1 3 392.880 3.061 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000153351750 1422485607 /nfs/dbraw/zinc/48/56/07/1422485607.db2.gz RVBSXNLDMIMYGX-UHFFFAOYSA-N -1 3 387.486 3.358 20 0 GGADHM N#Cc1cccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Br)c1 ZINC000153423178 1422527377 /nfs/dbraw/zinc/52/73/77/1422527377.db2.gz KJJDUGHNEUIIFU-UHFFFAOYSA-N -1 3 378.613 3.049 20 0 GGADHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000153449800 1422543109 /nfs/dbraw/zinc/54/31/09/1422543109.db2.gz LSPGGMZYZHYQMX-SFHVURJKSA-N -1 3 395.846 3.420 20 0 GGADHM O=C([N-]c1nc(-c2ccccc2)c(Br)s1)c1cccc[n+]1[O-] ZINC000153496799 1422570376 /nfs/dbraw/zinc/57/03/76/1422570376.db2.gz BKOHWNXMTPGVRZ-UHFFFAOYSA-N -1 3 376.235 3.458 20 0 GGADHM CC(C)C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000153500651 1422573084 /nfs/dbraw/zinc/57/30/84/1422573084.db2.gz IBCAEOOHNKVPIA-LZWOXQAQSA-N -1 3 390.867 3.350 20 0 GGADHM CC(C)C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000153500748 1422573243 /nfs/dbraw/zinc/57/32/43/1422573243.db2.gz IBCAEOOHNKVPIA-IJEWVQPXSA-N -1 3 390.867 3.350 20 0 GGADHM COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000153674567 1422697657 /nfs/dbraw/zinc/69/76/57/1422697657.db2.gz SPYRXRZLYGCTHN-INIZCTEOSA-N -1 3 396.365 3.106 20 0 GGADHM O=C(COc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153678940 1422698791 /nfs/dbraw/zinc/69/87/91/1422698791.db2.gz FLEWBLCNOIOXAK-UHFFFAOYSA-N -1 3 388.851 3.302 20 0 GGADHM Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3ccc(Cl)cc3[O-])cc12 ZINC000153711995 1422714626 /nfs/dbraw/zinc/71/46/26/1422714626.db2.gz AVABTLWLIOVGBV-SECBINFHSA-N -1 3 392.868 3.059 20 0 GGADHM CN(Cc1ccc(F)cc1)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000153714393 1422717052 /nfs/dbraw/zinc/71/70/52/1422717052.db2.gz IZYISDFJYHUAJD-UHFFFAOYSA-N -1 3 380.419 3.228 20 0 GGADHM CC(=O)c1cccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000153714847 1422717237 /nfs/dbraw/zinc/71/72/37/1422717237.db2.gz RNJCOYABUAQXFQ-UHFFFAOYSA-N -1 3 376.412 3.271 20 0 GGADHM COc1ccccc1CNC(=O)[C@@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000153714053 1422717533 /nfs/dbraw/zinc/71/75/33/1422717533.db2.gz QPIOZRBOSJXFNP-MRXNPFEDSA-N -1 3 392.455 3.144 20 0 GGADHM COc1ccccc1CN(C)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000153720648 1422721084 /nfs/dbraw/zinc/72/10/84/1422721084.db2.gz IDCXAKIRASTYCB-UHFFFAOYSA-N -1 3 392.455 3.097 20 0 GGADHM COc1cccc(CNC(=O)[C@H](C)O[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000153722656 1422722707 /nfs/dbraw/zinc/72/27/07/1422722707.db2.gz NPPYMVWESBGGGM-INIZCTEOSA-N -1 3 392.455 3.144 20 0 GGADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c1 ZINC000153852669 1422798368 /nfs/dbraw/zinc/79/83/68/1422798368.db2.gz YBUMMQBNRJYRMU-UHFFFAOYSA-N -1 3 390.505 3.491 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000153912590 1422809567 /nfs/dbraw/zinc/80/95/67/1422809567.db2.gz XOJWXDOXTQMGQG-OAHLLOKOSA-N -1 3 378.252 3.319 20 0 GGADHM Cc1cc(O)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000153924685 1422811799 /nfs/dbraw/zinc/81/17/99/1422811799.db2.gz VBSKMMPBDNLDPX-UHFFFAOYSA-N -1 3 380.441 3.169 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000153956738 1422816896 /nfs/dbraw/zinc/81/68/96/1422816896.db2.gz LMMHDPADNRGYKR-CYBMUJFWSA-N -1 3 398.290 3.146 20 0 GGADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000153962789 1422817761 /nfs/dbraw/zinc/81/77/61/1422817761.db2.gz RZYGZNFTZUIEKG-UHFFFAOYSA-N -1 3 390.530 3.239 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1 ZINC000153968325 1422818625 /nfs/dbraw/zinc/81/86/25/1422818625.db2.gz XCHSCJAIENMFEC-UHFFFAOYSA-N -1 3 392.546 3.353 20 0 GGADHM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000153986004 1422821165 /nfs/dbraw/zinc/82/11/65/1422821165.db2.gz NPPPGLOIHHIFDZ-HNNXBMFYSA-N -1 3 378.252 3.319 20 0 GGADHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1Cl ZINC000153992081 1422822226 /nfs/dbraw/zinc/82/22/26/1422822226.db2.gz XMHJHSAVVUNHML-AWEZNQCLSA-N -1 3 380.275 3.488 20 0 GGADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(CN(C)C)ccc1C ZINC000154044168 1422830766 /nfs/dbraw/zinc/83/07/66/1422830766.db2.gz ITNHCBWVIVETSY-UHFFFAOYSA-N -1 3 378.542 3.327 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)c(F)c1 ZINC000154047585 1422831387 /nfs/dbraw/zinc/83/13/87/1422831387.db2.gz BDIGJOZLWJLPIZ-UHFFFAOYSA-N -1 3 397.447 3.094 20 0 GGADHM CCCCCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000154088303 1422838666 /nfs/dbraw/zinc/83/86/66/1422838666.db2.gz VGIBUYOBERAOHR-UHFFFAOYSA-N -1 3 398.244 3.443 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@H](O)c3ccc(F)cc3)nc2)n1 ZINC000154157607 1422848163 /nfs/dbraw/zinc/84/81/63/1422848163.db2.gz QAZNEDZFVGAHAT-ACJLOTCBSA-N -1 3 382.439 3.458 20 0 GGADHM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000154272069 1422864910 /nfs/dbraw/zinc/86/49/10/1422864910.db2.gz IMPWFEODQHAPSO-UHFFFAOYSA-N -1 3 379.309 3.234 20 0 GGADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1Cl ZINC000154341851 1422875813 /nfs/dbraw/zinc/87/58/13/1422875813.db2.gz DXIUSNYTMOJIRL-UUWFMWQGSA-N -1 3 394.855 3.054 20 0 GGADHM COc1ccc(-c2nnc([N-]C(=O)c3cnn4c3nc(C)cc4C)s2)cc1 ZINC000154368974 1422879425 /nfs/dbraw/zinc/87/94/25/1422879425.db2.gz YVELKUMGPVKQKD-UHFFFAOYSA-N -1 3 380.433 3.126 20 0 GGADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCF)c2)cc1 ZINC000154369053 1422879514 /nfs/dbraw/zinc/87/95/14/1422879514.db2.gz PGFYWIXPMNDDJT-UHFFFAOYSA-N -1 3 394.468 3.284 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1COc2ccc(F)cc2C1 ZINC000154402565 1422884479 /nfs/dbraw/zinc/88/44/79/1422884479.db2.gz FQQPIKXUWWEJTD-GFCCVEGCSA-N -1 3 380.213 3.161 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1OC ZINC000154538659 1422912357 /nfs/dbraw/zinc/91/23/57/1422912357.db2.gz OMTQRWNMVBJIQQ-UHFFFAOYSA-N -1 3 392.264 3.344 20 0 GGADHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000154564742 1422934628 /nfs/dbraw/zinc/93/46/28/1422934628.db2.gz CYDGIBSQISZIGI-VQTJNVASSA-N -1 3 388.471 3.054 20 0 GGADHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)s1 ZINC000154588197 1422946290 /nfs/dbraw/zinc/94/62/90/1422946290.db2.gz YGKGZEIPFWWTKW-UHFFFAOYSA-N -1 3 397.386 3.082 20 0 GGADHM CC(C)(C)O[C@H](C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000154674343 1422996609 /nfs/dbraw/zinc/99/66/09/1422996609.db2.gz WQMZLWFODQQEEQ-IBGZPJMESA-N -1 3 392.459 3.190 20 0 GGADHM CC(C)(C)O[C@@H](C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000154674429 1422997106 /nfs/dbraw/zinc/99/71/06/1422997106.db2.gz WQMZLWFODQQEEQ-LJQANCHMSA-N -1 3 392.459 3.190 20 0 GGADHM COc1cc(C(=O)[N-]c2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)on1 ZINC000154784309 1423032058 /nfs/dbraw/zinc/03/20/58/1423032058.db2.gz MKGNEFATRYJQQT-UHFFFAOYSA-N -1 3 392.462 3.065 20 0 GGADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(F)cc3)n2)c1 ZINC000179851970 1429609261 /nfs/dbraw/zinc/60/92/61/1429609261.db2.gz BZNBLYFJIKHLGJ-SFHVURJKSA-N -1 3 392.390 3.290 20 0 GGADHM CCOC(=O)CC[C@@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000154860554 1423058377 /nfs/dbraw/zinc/05/83/77/1423058377.db2.gz DHJFHTNWYXBFOP-AWEZNQCLSA-N -1 3 375.498 3.015 20 0 GGADHM COc1cc(C(=O)NCc2ccccc2-n2nc(C)cc2C)cc(OC)c1[O-] ZINC000154867076 1423060597 /nfs/dbraw/zinc/06/05/97/1423060597.db2.gz LYMSNVAHXLULGR-UHFFFAOYSA-N -1 3 381.432 3.142 20 0 GGADHM CC[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000154924058 1423081411 /nfs/dbraw/zinc/08/14/11/1423081411.db2.gz BTYMVJNRUVIIDA-AAEUAGOBSA-N -1 3 386.464 3.104 20 0 GGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000154966219 1423093520 /nfs/dbraw/zinc/09/35/20/1423093520.db2.gz RVLOGMRXJYXKRC-UHFFFAOYSA-N -1 3 397.862 3.054 20 0 GGADHM COc1ccc([C@@H](NC(=O)NN=c2ccc(Cl)n[n-]2)C(F)(F)F)cc1 ZINC000154966634 1423093598 /nfs/dbraw/zinc/09/35/98/1423093598.db2.gz VMJHRSXREQVVPT-GFCCVEGCSA-N -1 3 375.738 3.068 20 0 GGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000154985447 1423099940 /nfs/dbraw/zinc/09/99/40/1423099940.db2.gz VDHSBNBSELIOGC-UHFFFAOYSA-N -1 3 397.862 3.054 20 0 GGADHM CC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cc(F)ccc1F ZINC000155020064 1423119824 /nfs/dbraw/zinc/11/98/24/1423119824.db2.gz VRBMVDMBGUOXCK-SFHVURJKSA-N -1 3 398.413 3.229 20 0 GGADHM O=C(Cc1cccc(F)c1)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179875225 1429619499 /nfs/dbraw/zinc/61/94/99/1429619499.db2.gz JTAUDLMILJOWPI-UHFFFAOYSA-N -1 3 376.859 3.462 20 0 GGADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000155061115 1423140986 /nfs/dbraw/zinc/14/09/86/1423140986.db2.gz MXSHICLQZCVDFK-UHFFFAOYSA-N -1 3 399.472 3.322 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000155135234 1423189860 /nfs/dbraw/zinc/18/98/60/1423189860.db2.gz AWVQAXIAIYWWDM-FGZHOGPDSA-N -1 3 381.472 3.197 20 0 GGADHM CCOc1cc(Cl)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000155162898 1423204602 /nfs/dbraw/zinc/20/46/02/1423204602.db2.gz ZQWMGFPYINAORB-UHFFFAOYSA-N -1 3 386.832 3.038 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(-c3ccc(F)cc3)n2)cc1 ZINC000179881828 1429622334 /nfs/dbraw/zinc/62/23/34/1429622334.db2.gz IOMJHEVBKSFHED-GOSISDBHSA-N -1 3 392.390 3.290 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cc(-c3ccccc3)no2)[n-]1 ZINC000155277954 1423295009 /nfs/dbraw/zinc/29/50/09/1423295009.db2.gz MVSPOIWYNKUYJJ-AREMUKBSSA-N -1 3 383.351 3.305 20 0 GGADHM C[C@@H](c1nc(-c2ccccc2)no1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155284804 1423298751 /nfs/dbraw/zinc/29/87/51/1423298751.db2.gz NQBJGILAORHHAU-JNVGHINZSA-N -1 3 398.366 3.261 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000155295474 1423304879 /nfs/dbraw/zinc/30/48/79/1423304879.db2.gz XNXWNLPLBJMXEF-UHFFFAOYSA-N -1 3 389.868 3.220 20 0 GGADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCCOCCc2ccccc2)[n-]1 ZINC000155300972 1423307714 /nfs/dbraw/zinc/30/77/14/1423307714.db2.gz KPFCHERQOZWLAH-AREMUKBSSA-N -1 3 388.411 3.099 20 0 GGADHM O=C(C[C@H]1CCCN1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822946593 1423308919 /nfs/dbraw/zinc/30/89/19/1423308919.db2.gz YVYXFNGXGYMVML-MRXNPFEDSA-N -1 3 397.504 3.435 20 0 GGADHM O=C(C[C@H]1CCCN1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000822946593 1423308932 /nfs/dbraw/zinc/30/89/32/1423308932.db2.gz YVYXFNGXGYMVML-MRXNPFEDSA-N -1 3 397.504 3.435 20 0 GGADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000155361226 1423332876 /nfs/dbraw/zinc/33/28/76/1423332876.db2.gz RKVQKZSJNOCBSO-UHFFFAOYSA-N -1 3 399.407 3.089 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnn(Cc4ccccc4)c3)c[n-]c12 ZINC000155715606 1423502548 /nfs/dbraw/zinc/50/25/48/1423502548.db2.gz GKHQMKGCLXYXJI-UHFFFAOYSA-N -1 3 376.391 3.473 20 0 GGADHM Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155736079 1423510178 /nfs/dbraw/zinc/51/01/78/1423510178.db2.gz BBDGSRKHTGININ-AZUAARDMSA-N -1 3 383.492 3.134 20 0 GGADHM CN1CC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000179936128 1429650947 /nfs/dbraw/zinc/65/09/47/1429650947.db2.gz YHZGENDQCKRZBU-GFCCVEGCSA-N -1 3 381.457 3.476 20 0 GGADHM COC(=O)C(C)(C)[C@@H](NCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826098724 1423538332 /nfs/dbraw/zinc/53/83/32/1423538332.db2.gz MZRPRVGZXWIYPR-KRWDZBQOSA-N -1 3 383.427 3.036 20 0 GGADHM Cc1csc(CCC[N-]S(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000155845610 1423558285 /nfs/dbraw/zinc/55/82/85/1423558285.db2.gz BPMYAHAUTHIWQD-UHFFFAOYSA-N -1 3 393.303 3.264 20 0 GGADHM CC1CCN([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2)CC1 ZINC000820723207 1423563641 /nfs/dbraw/zinc/56/36/41/1423563641.db2.gz XEPSVWDAFUWMKT-MRXNPFEDSA-N -1 3 396.520 3.131 20 0 GGADHM CC1CCN([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2)CC1 ZINC000820723207 1423563646 /nfs/dbraw/zinc/56/36/46/1423563646.db2.gz XEPSVWDAFUWMKT-MRXNPFEDSA-N -1 3 396.520 3.131 20 0 GGADHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179946287 1429655977 /nfs/dbraw/zinc/65/59/77/1429655977.db2.gz CUEOXQHRIFFPIT-GHMZBOCLSA-N -1 3 399.987 3.298 20 0 GGADHM CC(C)(C)CCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179946488 1429656088 /nfs/dbraw/zinc/65/60/88/1429656088.db2.gz QLTUCQLOYROSCV-UHFFFAOYSA-N -1 3 387.976 3.300 20 0 GGADHM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1cc(Cl)ccc1Cl ZINC000155959503 1423610507 /nfs/dbraw/zinc/61/05/07/1423610507.db2.gz YEBAHMNRHWIIKG-UHFFFAOYSA-N -1 3 383.260 3.053 20 0 GGADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)Cc2cccc3ccccc32)[n-]1 ZINC000155982438 1423620374 /nfs/dbraw/zinc/62/03/74/1423620374.db2.gz MGXLJSIPRFVVBV-UHFFFAOYSA-N -1 3 382.363 3.469 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)Cc3c(C)nn(-c4ccccc4)c3C)n[n-]2)o1 ZINC000156007380 1423631699 /nfs/dbraw/zinc/63/16/99/1423631699.db2.gz FTRZCVKUOPYBIC-UHFFFAOYSA-N -1 3 376.420 3.357 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NOC(C)(C)C ZINC000156031202 1423641811 /nfs/dbraw/zinc/64/18/11/1423641811.db2.gz OGNZIDHUCWYTLI-UHFFFAOYSA-N -1 3 380.441 3.395 20 0 GGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179968499 1429666796 /nfs/dbraw/zinc/66/67/96/1429666796.db2.gz GJBOZSTVDZXPGN-JTQLQIEISA-N -1 3 387.976 3.442 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824528489 1423675421 /nfs/dbraw/zinc/67/54/21/1423675421.db2.gz AIYZZCKRSFTPFU-JKSUJKDBSA-N -1 3 392.507 3.440 20 0 GGADHM CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824528489 1423675431 /nfs/dbraw/zinc/67/54/31/1423675431.db2.gz AIYZZCKRSFTPFU-JKSUJKDBSA-N -1 3 392.507 3.440 20 0 GGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(C(F)(F)F)nc3)s2)cc1 ZINC000156142631 1423692020 /nfs/dbraw/zinc/69/20/20/1423692020.db2.gz IYIPVLDCIUWZII-UHFFFAOYSA-N -1 3 379.367 3.498 20 0 GGADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000737247133 1429663560 /nfs/dbraw/zinc/66/35/60/1429663560.db2.gz ZHULRXNQPKDPOL-HNNXBMFYSA-N -1 3 380.427 3.117 20 0 GGADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000737247133 1429663568 /nfs/dbraw/zinc/66/35/68/1429663568.db2.gz ZHULRXNQPKDPOL-HNNXBMFYSA-N -1 3 380.427 3.117 20 0 GGADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179960401 1429663823 /nfs/dbraw/zinc/66/38/23/1429663823.db2.gz PABUQCBFPMPOBY-NXEZZACHSA-N -1 3 385.960 3.052 20 0 GGADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156216371 1423731042 /nfs/dbraw/zinc/73/10/42/1423731042.db2.gz SKQCYFYRIIRBOZ-LLVKDONJSA-N -1 3 380.416 3.047 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000156226596 1423734696 /nfs/dbraw/zinc/73/46/96/1423734696.db2.gz MVFFZMVQTPHSCE-UHFFFAOYSA-N -1 3 398.291 3.200 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000156250894 1423743082 /nfs/dbraw/zinc/74/30/82/1423743082.db2.gz MFAXEFZQHYXLGI-UHFFFAOYSA-N -1 3 394.862 3.142 20 0 GGADHM COc1ccc(C[C@H]2CCCN(c3nc(C)cc(C)c3-c3nn[n-]n3)C2)cc1 ZINC000821790468 1423748199 /nfs/dbraw/zinc/74/81/99/1423748199.db2.gz OBKFJCRCDJKAGN-QGZVFWFLSA-N -1 3 378.480 3.346 20 0 GGADHM COc1ccc(C[C@H]2CCCN(c3nc(C)cc(C)c3-c3nnn[n-]3)C2)cc1 ZINC000821790468 1423748204 /nfs/dbraw/zinc/74/82/04/1423748204.db2.gz OBKFJCRCDJKAGN-QGZVFWFLSA-N -1 3 378.480 3.346 20 0 GGADHM CCCC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CCC1 ZINC000179970995 1429668433 /nfs/dbraw/zinc/66/84/33/1429668433.db2.gz MWRKQEHLLQVDKJ-LLVKDONJSA-N -1 3 399.987 3.442 20 0 GGADHM c1sc(CNCc2cccc(OCc3ccccn3)c2)cc1-c1nn[n-]n1 ZINC000823787354 1423757567 /nfs/dbraw/zinc/75/75/67/1423757567.db2.gz LNPXPETZSWHDNR-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM c1sc(CNCc2cccc(OCc3ccccn3)c2)cc1-c1nnn[n-]1 ZINC000823787354 1423757569 /nfs/dbraw/zinc/75/75/69/1423757569.db2.gz LNPXPETZSWHDNR-UHFFFAOYSA-N -1 3 378.461 3.192 20 0 GGADHM CC(C)C1CCC([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000179972542 1429669611 /nfs/dbraw/zinc/66/96/11/1429669611.db2.gz WOJBOBMFARUKNJ-UHFFFAOYSA-N -1 3 399.987 3.298 20 0 GGADHM CCc1ccccc1-n1cnnc1SCC(=O)NCc1ccc([O-])c(F)c1 ZINC000156302264 1423766427 /nfs/dbraw/zinc/76/64/27/1423766427.db2.gz AKIUZSRPOVSTIK-UHFFFAOYSA-N -1 3 386.452 3.083 20 0 GGADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156306863 1423768743 /nfs/dbraw/zinc/76/87/43/1423768743.db2.gz JNNOQLXASKCHTO-AUUYWEPGSA-N -1 3 384.451 3.147 20 0 GGADHM CC(C)(C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CCCC1 ZINC000179974746 1429670314 /nfs/dbraw/zinc/67/03/14/1429670314.db2.gz FXFZLNJXIHZAQX-UHFFFAOYSA-N -1 3 399.987 3.300 20 0 GGADHM CCO[C@H]1C[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C12CCC2 ZINC000821360732 1423788316 /nfs/dbraw/zinc/78/83/16/1423788316.db2.gz SEDWMSQPXSITRD-HOTGVXAUSA-N -1 3 393.438 3.248 20 0 GGADHM CCO[C@H]1C[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C12CCC2 ZINC000821360732 1423788319 /nfs/dbraw/zinc/78/83/19/1423788319.db2.gz SEDWMSQPXSITRD-HOTGVXAUSA-N -1 3 393.438 3.248 20 0 GGADHM Fc1ccc(N2CC[C@H](NCc3ccc(-c4nn[n-]n4)cc3F)C2)cc1Cl ZINC000826375219 1423790621 /nfs/dbraw/zinc/79/06/21/1423790621.db2.gz DHTNRXDNDHHFER-ZDUSSCGKSA-N -1 3 390.825 3.167 20 0 GGADHM Fc1ccc(N2CC[C@H](NCc3ccc(-c4nnn[n-]4)cc3F)C2)cc1Cl ZINC000826375219 1423790622 /nfs/dbraw/zinc/79/06/22/1423790622.db2.gz DHTNRXDNDHHFER-ZDUSSCGKSA-N -1 3 390.825 3.167 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CCCc2ccccc2)c(C)o1 ZINC000156421360 1423808462 /nfs/dbraw/zinc/80/84/62/1423808462.db2.gz MMDDKOALDGOJAF-QGZVFWFLSA-N -1 3 390.505 3.124 20 0 GGADHM Cc1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)c(Oc2ccccc2)c1 ZINC000156505535 1423819770 /nfs/dbraw/zinc/81/97/70/1423819770.db2.gz NIHOPGVIRYBCCI-UHFFFAOYSA-N -1 3 377.444 3.346 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc(NC(=O)C4CC4)c3)c2)n1 ZINC000156596601 1423833918 /nfs/dbraw/zinc/83/39/18/1423833918.db2.gz YVUHOBGOVGRJCK-UHFFFAOYSA-N -1 3 389.411 3.313 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000156656572 1423842397 /nfs/dbraw/zinc/84/23/97/1423842397.db2.gz HCUWTIHBLKEIEZ-CYBMUJFWSA-N -1 3 387.482 3.306 20 0 GGADHM CCc1c(C(=O)NCc2ccc([O-])c(F)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC000156690594 1423848923 /nfs/dbraw/zinc/84/89/23/1423848923.db2.gz QSXSMCJJTFJZQQ-UHFFFAOYSA-N -1 3 398.438 3.392 20 0 GGADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2ccc(F)cc2)c2ccc(Cl)cc2)no1 ZINC000179989087 1429677585 /nfs/dbraw/zinc/67/75/85/1429677585.db2.gz KNJAYFRFPRLDEB-MRXNPFEDSA-N -1 3 395.843 3.380 20 0 GGADHM Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000156762853 1423860596 /nfs/dbraw/zinc/86/05/96/1423860596.db2.gz NKQPBLNLLSIESA-HNNXBMFYSA-N -1 3 385.439 3.068 20 0 GGADHM Cc1nn(Cc2ccccc2)c(C)c1CNCc1cc(-c2nn[n-]n2)cs1 ZINC000822500929 1423864894 /nfs/dbraw/zinc/86/48/94/1423864894.db2.gz MSGUQOZEVKUBQJ-UHFFFAOYSA-N -1 3 379.493 3.080 20 0 GGADHM CCC(C)(C)[C@@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000156796462 1423866272 /nfs/dbraw/zinc/86/62/72/1423866272.db2.gz LMVSMLWAHORDGG-LBPRGKRZSA-N -1 3 377.510 3.480 20 0 GGADHM C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820402378 1423870246 /nfs/dbraw/zinc/87/02/46/1423870246.db2.gz DCMMDXPFZHQGIU-OAGGEKHMSA-N -1 3 390.491 3.274 20 0 GGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3=Cc4cc(F)ccc4OC3)c2)n1 ZINC000156835124 1423872498 /nfs/dbraw/zinc/87/24/98/1423872498.db2.gz YLXDZJJHOGDSGK-UHFFFAOYSA-N -1 3 378.359 3.266 20 0 GGADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000156837734 1423873178 /nfs/dbraw/zinc/87/31/78/1423873178.db2.gz GHEUIEIKKNKPBA-UHFFFAOYSA-N -1 3 381.476 3.133 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(F)cc2N1 ZINC000156957359 1423893144 /nfs/dbraw/zinc/89/31/44/1423893144.db2.gz SOTXAGLDRQKEPD-UHFFFAOYSA-N -1 3 399.787 3.073 20 0 GGADHM O=S(=O)([N-]Cc1ccc(COC2CCOCC2)cc1)c1ccc(F)cc1F ZINC000157007724 1423901860 /nfs/dbraw/zinc/90/18/60/1423901860.db2.gz QYYQNJPPZZXFGO-UHFFFAOYSA-N -1 3 397.443 3.139 20 0 GGADHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000157082390 1423921135 /nfs/dbraw/zinc/92/11/35/1423921135.db2.gz OKEHZVGCHMPQLE-KRWDZBQOSA-N -1 3 388.265 3.075 20 0 GGADHM C[C@H](NCC(=O)N(C1CC1)C1CCC(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824919825 1423939221 /nfs/dbraw/zinc/93/92/21/1423939221.db2.gz ZJZVMNKIBMUFQE-CSLYMUCUSA-N -1 3 382.512 3.087 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000157160096 1423941385 /nfs/dbraw/zinc/94/13/85/1423941385.db2.gz HFVWMCIOELDYLS-UHFFFAOYSA-N -1 3 393.409 3.273 20 0 GGADHM O=C(CCCNC(=O)NCc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1 ZINC000157187464 1423949225 /nfs/dbraw/zinc/94/92/25/1423949225.db2.gz IEDCHLDUCMGRIY-UHFFFAOYSA-N -1 3 379.819 3.403 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)c1ccc(C)cc1 ZINC000157195164 1423951520 /nfs/dbraw/zinc/95/15/20/1423951520.db2.gz XIZJLXQCOZIFHO-UHFFFAOYSA-N -1 3 379.453 3.177 20 0 GGADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000157205366 1423954758 /nfs/dbraw/zinc/95/47/58/1423954758.db2.gz RLNHOJHRSYLYNE-UHFFFAOYSA-N -1 3 399.819 3.487 20 0 GGADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000736331517 1423961847 /nfs/dbraw/zinc/96/18/47/1423961847.db2.gz QAZDRUJNZJXXJB-NEPJUHHUSA-N -1 3 376.892 3.358 20 0 GGADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000736331517 1423961850 /nfs/dbraw/zinc/96/18/50/1423961850.db2.gz QAZDRUJNZJXXJB-NEPJUHHUSA-N -1 3 376.892 3.358 20 0 GGADHM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000157236103 1423962542 /nfs/dbraw/zinc/96/25/42/1423962542.db2.gz VEFUTWBGOXINNU-FGZHOGPDSA-N -1 3 395.499 3.375 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccnc1-c1ccccc1 ZINC000157252216 1423966923 /nfs/dbraw/zinc/96/69/23/1423966923.db2.gz NVARRDVBFRHWHG-UHFFFAOYSA-N -1 3 376.416 3.006 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000157264673 1423969569 /nfs/dbraw/zinc/96/95/69/1423969569.db2.gz XOGYVRZTMRHNCK-UHFFFAOYSA-N -1 3 397.424 3.445 20 0 GGADHM CC(C)N(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C(C)C ZINC000824289121 1429688181 /nfs/dbraw/zinc/68/81/81/1429688181.db2.gz ULOYFJGBJNZPIP-UHFFFAOYSA-N -1 3 376.530 3.254 20 0 GGADHM CC(C)N(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C(C)C ZINC000824289121 1429688185 /nfs/dbraw/zinc/68/81/85/1429688185.db2.gz ULOYFJGBJNZPIP-UHFFFAOYSA-N -1 3 376.530 3.254 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000157562193 1424038253 /nfs/dbraw/zinc/03/82/53/1424038253.db2.gz VAEJTUPIZXJSIW-UHFFFAOYSA-N -1 3 376.403 3.218 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2)CCCC1 ZINC000157568234 1424039486 /nfs/dbraw/zinc/03/94/86/1424039486.db2.gz XCTKFXKJSASBMS-UHFFFAOYSA-N -1 3 377.437 3.360 20 0 GGADHM Cc1ccc(OCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000157634172 1424053500 /nfs/dbraw/zinc/05/35/00/1424053500.db2.gz JYTDGKHAZPBGSU-UHFFFAOYSA-N -1 3 396.487 3.153 20 0 GGADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000157637214 1424054282 /nfs/dbraw/zinc/05/42/82/1424054282.db2.gz ZYRSAXKAXGCEBO-OAHLLOKOSA-N -1 3 399.466 3.473 20 0 GGADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000157792875 1424088743 /nfs/dbraw/zinc/08/87/43/1424088743.db2.gz CWHKLJFPGIPELG-RDJZCZTQSA-N -1 3 391.464 3.302 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3nc(-c4ccsc4)no3)nc21 ZINC000157793877 1424089936 /nfs/dbraw/zinc/08/99/36/1424089936.db2.gz VVCGTVAFFOOCOT-UHFFFAOYSA-N -1 3 397.416 3.032 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)nc21 ZINC000157798123 1424090798 /nfs/dbraw/zinc/09/07/98/1424090798.db2.gz ZXWJQGYARUDSIB-UHFFFAOYSA-N -1 3 381.436 3.431 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3c(C)nn(CC(C)C)c3C)nc21 ZINC000157807104 1424092186 /nfs/dbraw/zinc/09/21/86/1424092186.db2.gz ZNMQWZJHOQECLN-UHFFFAOYSA-N -1 3 397.479 3.390 20 0 GGADHM Cc1ocnc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000157828589 1424097832 /nfs/dbraw/zinc/09/78/32/1424097832.db2.gz GEBKAZMIZMLWAQ-UHFFFAOYSA-N -1 3 399.472 3.331 20 0 GGADHM O=C(CSc1ccncc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158043322 1424147048 /nfs/dbraw/zinc/14/70/48/1424147048.db2.gz FYYMFZXGRFKFPK-INIZCTEOSA-N -1 3 391.924 3.314 20 0 GGADHM O=C(CSc1ccncc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158043467 1424147503 /nfs/dbraw/zinc/14/75/03/1424147503.db2.gz FYYMFZXGRFKFPK-MRXNPFEDSA-N -1 3 391.924 3.314 20 0 GGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCN(C(=O)C2CC2)CC1 ZINC000158216042 1424198084 /nfs/dbraw/zinc/19/80/84/1424198084.db2.gz JDHGFZYMJOWEGB-UHFFFAOYSA-N -1 3 378.472 3.068 20 0 GGADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158223082 1424199665 /nfs/dbraw/zinc/19/96/65/1424199665.db2.gz WPAYOBPWVHCLGE-KWQFWETISA-N -1 3 381.306 3.240 20 0 GGADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158223395 1424200215 /nfs/dbraw/zinc/20/02/15/1424200215.db2.gz WPAYOBPWVHCLGE-GZMMTYOYSA-N -1 3 381.306 3.240 20 0 GGADHM O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000158240141 1424205085 /nfs/dbraw/zinc/20/50/85/1424205085.db2.gz QSSUANKMAMAOCF-UHFFFAOYSA-N -1 3 394.406 3.178 20 0 GGADHM CCc1ccc(C2=CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1 ZINC000180036683 1429707019 /nfs/dbraw/zinc/70/70/19/1429707019.db2.gz ICSSJDGTBCONSZ-UHFFFAOYSA-N -1 3 375.428 3.454 20 0 GGADHM CC(C)[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccc2c(c1)OCCO2 ZINC000824198247 1429709428 /nfs/dbraw/zinc/70/94/28/1429709428.db2.gz AFVFRNMWUFZDPT-IBGZPJMESA-N -1 3 383.427 3.264 20 0 GGADHM CC(C)[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccc2c(c1)OCCO2 ZINC000824198247 1429709431 /nfs/dbraw/zinc/70/94/31/1429709431.db2.gz AFVFRNMWUFZDPT-IBGZPJMESA-N -1 3 383.427 3.264 20 0 GGADHM CCCN1CCN(c2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2Cl)CC1 ZINC000158318026 1424225435 /nfs/dbraw/zinc/22/54/35/1424225435.db2.gz FGIMTVUXBZMUQS-SFHVURJKSA-N -1 3 396.919 3.452 20 0 GGADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)c1 ZINC000158465074 1424263693 /nfs/dbraw/zinc/26/36/93/1424263693.db2.gz WQQSKWQAEGHZOY-OAHLLOKOSA-N -1 3 388.489 3.305 20 0 GGADHM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000158510912 1424275946 /nfs/dbraw/zinc/27/59/46/1424275946.db2.gz ZXXIJHIOBQYXGY-UHFFFAOYSA-N -1 3 387.443 3.162 20 0 GGADHM O=C(Nc1ccccn1)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000158510937 1424276025 /nfs/dbraw/zinc/27/60/25/1424276025.db2.gz DRTLOTMXYTWXNF-QGOAFFKASA-N -1 3 384.395 3.057 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccsc1 ZINC000821181613 1424287511 /nfs/dbraw/zinc/28/75/11/1424287511.db2.gz NIMDMQZBBQXYJU-KRWDZBQOSA-N -1 3 399.524 3.441 20 0 GGADHM CCN(CC)[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccsc1 ZINC000821181613 1424287516 /nfs/dbraw/zinc/28/75/16/1424287516.db2.gz NIMDMQZBBQXYJU-KRWDZBQOSA-N -1 3 399.524 3.441 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCCCC[C@H]1c1ccco1 ZINC000737033860 1424309646 /nfs/dbraw/zinc/30/96/46/1424309646.db2.gz ZZXUPVMSXXMLAW-INIZCTEOSA-N -1 3 383.452 3.464 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCCCC[C@H]1c1ccco1 ZINC000737033860 1424309649 /nfs/dbraw/zinc/30/96/49/1424309649.db2.gz ZZXUPVMSXXMLAW-INIZCTEOSA-N -1 3 383.452 3.464 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000158657237 1424312250 /nfs/dbraw/zinc/31/22/50/1424312250.db2.gz QOMFPRNLHXRWFP-AWEZNQCLSA-N -1 3 393.846 3.271 20 0 GGADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000158728309 1424328628 /nfs/dbraw/zinc/32/86/28/1424328628.db2.gz CTMDVYFOEKJBQK-OAHLLOKOSA-N -1 3 396.534 3.268 20 0 GGADHM O=S(=O)([N-]C[C@H](O)c1ccc2ccccc2c1)c1cc(F)c(F)c(F)c1 ZINC000158775782 1424339377 /nfs/dbraw/zinc/33/93/77/1424339377.db2.gz ANXRVINKUXUZBK-KRWDZBQOSA-N -1 3 381.375 3.269 20 0 GGADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1cnc(Cl)c(Cl)c1 ZINC000158796302 1424344432 /nfs/dbraw/zinc/34/44/32/1424344432.db2.gz BBKLWILXPLMBMG-GFCCVEGCSA-N -1 3 386.304 3.193 20 0 GGADHM CCC[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000180065124 1429721265 /nfs/dbraw/zinc/72/12/65/1429721265.db2.gz LWBPYRIWUXFZKT-NHCUHLMSSA-N -1 3 396.487 3.281 20 0 GGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000158961329 1424382441 /nfs/dbraw/zinc/38/24/41/1424382441.db2.gz FXNVAUKHPSMYBP-UHFFFAOYSA-N -1 3 393.296 3.348 20 0 GGADHM CCc1ccc(CN2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000736693091 1429727602 /nfs/dbraw/zinc/72/76/02/1429727602.db2.gz XDQAHKSJPHJBHX-UHFFFAOYSA-N -1 3 399.502 3.300 20 0 GGADHM CCc1ccc(CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000736693091 1429727606 /nfs/dbraw/zinc/72/76/06/1429727606.db2.gz XDQAHKSJPHJBHX-UHFFFAOYSA-N -1 3 399.502 3.300 20 0 GGADHM Cc1sc(NC(=O)CN[C@@H](C)c2cc(C)cc(C)c2)c(-c2nn[n-]n2)c1C ZINC000826264483 1424461575 /nfs/dbraw/zinc/46/15/75/1424461575.db2.gz QAFSNXFDOLXSHS-ZDUSSCGKSA-N -1 3 384.509 3.451 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cc(-c4ccccc4)on3)nc21 ZINC000159300130 1424478149 /nfs/dbraw/zinc/47/81/49/1424478149.db2.gz OYJLEQPGOPNFFL-UHFFFAOYSA-N -1 3 376.372 3.186 20 0 GGADHM Cc1nccn1CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159339937 1424489897 /nfs/dbraw/zinc/48/98/97/1424489897.db2.gz MHYIKKSAPCRSAB-UHFFFAOYSA-N -1 3 398.488 3.411 20 0 GGADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000159426940 1424501120 /nfs/dbraw/zinc/50/11/20/1424501120.db2.gz UXNVPHLVRNVLRR-AWEZNQCLSA-N -1 3 377.359 3.165 20 0 GGADHM O=C([N-]NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000159518723 1424510328 /nfs/dbraw/zinc/51/03/28/1424510328.db2.gz OWVRITUSPHNTKK-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM CC(C)(C)c1ncc(/C=C/C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000159684935 1424523768 /nfs/dbraw/zinc/52/37/68/1424523768.db2.gz UWHPVGXSHBSEDF-CMDGGOBGSA-N -1 3 399.516 3.144 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1Cl ZINC000159687829 1424524326 /nfs/dbraw/zinc/52/43/26/1424524326.db2.gz DYNYPASYCDSHMN-UHFFFAOYSA-N -1 3 393.896 3.437 20 0 GGADHM N#Cc1ccc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1Cl ZINC000160177010 1424583466 /nfs/dbraw/zinc/58/34/66/1424583466.db2.gz UJBRDNGPAQIVNL-UHFFFAOYSA-N -1 3 396.603 3.188 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)n[n-]2)o1 ZINC000160427033 1424602899 /nfs/dbraw/zinc/60/28/99/1424602899.db2.gz LNCNAEYMUPPVHH-UHFFFAOYSA-N -1 3 389.456 3.349 20 0 GGADHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SC(F)F)co1 ZINC000160713366 1424629918 /nfs/dbraw/zinc/62/99/18/1424629918.db2.gz XYCJTPWMNDUPRF-UHFFFAOYSA-N -1 3 376.406 3.097 20 0 GGADHM CCc1ccc([C@@H]2CCCN2Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)o1 ZINC000825703939 1424641282 /nfs/dbraw/zinc/64/12/82/1424641282.db2.gz AHABGPGKOSJMDO-INIZCTEOSA-N -1 3 381.436 3.146 20 0 GGADHM CCc1ccc([C@@H]2CCCN2Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)o1 ZINC000825703939 1424641289 /nfs/dbraw/zinc/64/12/89/1424641289.db2.gz AHABGPGKOSJMDO-INIZCTEOSA-N -1 3 381.436 3.146 20 0 GGADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000160988416 1424650282 /nfs/dbraw/zinc/65/02/82/1424650282.db2.gz PGXXMUGHUKBUJS-UHFFFAOYSA-N -1 3 383.843 3.417 20 0 GGADHM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000161574789 1424715336 /nfs/dbraw/zinc/71/53/36/1424715336.db2.gz KJUNWGRYSPDTMT-UHFFFAOYSA-N -1 3 394.456 3.348 20 0 GGADHM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000161606323 1424722684 /nfs/dbraw/zinc/72/26/84/1424722684.db2.gz VJEXAKIGXPHEOL-UHFFFAOYSA-N -1 3 394.403 3.133 20 0 GGADHM Cn1cc(CNCc2ccc(F)c(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361597 1424744784 /nfs/dbraw/zinc/74/47/84/1424744784.db2.gz FFMHFGNOTBSBHL-UHFFFAOYSA-N -1 3 397.845 3.350 20 0 GGADHM Cn1cc(CNCc2ccc(F)c(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361597 1424744789 /nfs/dbraw/zinc/74/47/89/1424744789.db2.gz FFMHFGNOTBSBHL-UHFFFAOYSA-N -1 3 397.845 3.350 20 0 GGADHM C[C@H](NCCOc1ccc(-c2nn[n-]n2)cc1)c1sccc1Br ZINC000824599229 1424745476 /nfs/dbraw/zinc/74/54/76/1424745476.db2.gz MLLXRJPKMRQHIC-JTQLQIEISA-N -1 3 394.298 3.420 20 0 GGADHM C[C@H](NCCOc1ccc(-c2nnn[n-]2)cc1)c1sccc1Br ZINC000824599229 1424745482 /nfs/dbraw/zinc/74/54/82/1424745482.db2.gz MLLXRJPKMRQHIC-JTQLQIEISA-N -1 3 394.298 3.420 20 0 GGADHM COc1cccc(OCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000161720155 1424749800 /nfs/dbraw/zinc/74/98/00/1424749800.db2.gz VSRJSNGSQBQHAG-UHFFFAOYSA-N -1 3 394.456 3.289 20 0 GGADHM CC1(C)C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000162140395 1424819639 /nfs/dbraw/zinc/81/96/39/1424819639.db2.gz GBUSMIRBTWQHBM-AZUAARDMSA-N -1 3 396.487 3.327 20 0 GGADHM O=C(Cc1cccc(OCc2cccnc2)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000180141163 1429755923 /nfs/dbraw/zinc/75/59/23/1429755923.db2.gz JANAASACYIDUDI-UHFFFAOYSA-N -1 3 375.388 3.220 20 0 GGADHM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000162230889 1424829161 /nfs/dbraw/zinc/82/91/61/1424829161.db2.gz ZBIMHGWCYPAUOR-CQSZACIVSA-N -1 3 396.509 3.035 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1Cl ZINC000162308157 1424836443 /nfs/dbraw/zinc/83/64/43/1424836443.db2.gz HJHFXSSQFHXOIC-OAHLLOKOSA-N -1 3 378.252 3.319 20 0 GGADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000162327596 1424838319 /nfs/dbraw/zinc/83/83/19/1424838319.db2.gz OIBQEIHNWZZXHS-QGZVFWFLSA-N -1 3 392.496 3.217 20 0 GGADHM CCCn1ncc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1C1CC1 ZINC000162373382 1424843797 /nfs/dbraw/zinc/84/37/97/1424843797.db2.gz XYRBZMNZJNJPAV-UHFFFAOYSA-N -1 3 378.432 3.448 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)nc21 ZINC000162441707 1424852155 /nfs/dbraw/zinc/85/21/55/1424852155.db2.gz BUULBPSYTGQAMC-UHFFFAOYSA-N -1 3 394.431 3.393 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4ccccc4F)on3)nc21 ZINC000162529634 1424862318 /nfs/dbraw/zinc/86/23/18/1424862318.db2.gz BKNLVNRSTNPYMO-UHFFFAOYSA-N -1 3 380.335 3.396 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(F)cc3Cl)nc21 ZINC000162529760 1424862455 /nfs/dbraw/zinc/86/24/55/1424862455.db2.gz PKWLINGXBUAMIM-UHFFFAOYSA-N -1 3 377.759 3.160 20 0 GGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](Cn2ccnn2)C1 ZINC000162660923 1424876011 /nfs/dbraw/zinc/87/60/11/1424876011.db2.gz MBAZAJSXVSDJFN-HXUWFJFHSA-N -1 3 390.487 3.321 20 0 GGADHM C[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H]1CNC(=O)OC(C)(C)C ZINC000162802273 1424891667 /nfs/dbraw/zinc/89/16/67/1424891667.db2.gz XIJPHVYJUPVXJL-KSSFIOAISA-N -1 3 399.491 3.294 20 0 GGADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000162895176 1424901292 /nfs/dbraw/zinc/90/12/92/1424901292.db2.gz UDDGQZTVXFMLKZ-UHFFFAOYSA-N -1 3 394.349 3.102 20 0 GGADHM COc1ccnc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000826220887 1424905711 /nfs/dbraw/zinc/90/57/11/1424905711.db2.gz FLDVNKWVCVXDJQ-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM CC[C@H](NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000825143997 1424911177 /nfs/dbraw/zinc/91/11/77/1424911177.db2.gz XIXHDOZRABHFSA-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM CC[C@H](NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000825143997 1424911180 /nfs/dbraw/zinc/91/11/80/1424911180.db2.gz XIXHDOZRABHFSA-KRWDZBQOSA-N -1 3 386.406 3.214 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000163162667 1424951729 /nfs/dbraw/zinc/95/17/29/1424951729.db2.gz JVAXBQIMNOCTSN-CYBMUJFWSA-N -1 3 394.500 3.278 20 0 GGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000824993392 1424965995 /nfs/dbraw/zinc/96/59/95/1424965995.db2.gz QKWYLYPMVZTRSN-QVKFZJNVSA-N -1 3 385.475 3.460 20 0 GGADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000824993392 1424966000 /nfs/dbraw/zinc/96/60/00/1424966000.db2.gz QKWYLYPMVZTRSN-QVKFZJNVSA-N -1 3 385.475 3.460 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H]4CCC[C@@H]4C3)cs2)c1 ZINC000180151516 1429763341 /nfs/dbraw/zinc/76/33/41/1429763341.db2.gz VGUDEXRFXUEJRB-OKILXGFUSA-N -1 3 385.489 3.210 20 0 GGADHM Cc1nccn1-c1ccc([C@@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826330818 1424980851 /nfs/dbraw/zinc/98/08/51/1424980851.db2.gz JCWUUNMUJCVLTL-CYBMUJFWSA-N -1 3 377.427 3.351 20 0 GGADHM Clc1ccc(O[C@H]2CCN(Cc3ccc(-c4nn[n-]n4)o3)C2)cc1Cl ZINC000826352877 1424983825 /nfs/dbraw/zinc/98/38/25/1424983825.db2.gz RCXATXUXVLHLIX-LBPRGKRZSA-N -1 3 380.235 3.420 20 0 GGADHM Clc1ccc(O[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)o3)C2)cc1Cl ZINC000826352877 1424983829 /nfs/dbraw/zinc/98/38/29/1424983829.db2.gz RCXATXUXVLHLIX-LBPRGKRZSA-N -1 3 380.235 3.420 20 0 GGADHM CN(C)C(=O)c1ccnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000163387119 1424988946 /nfs/dbraw/zinc/98/89/46/1424988946.db2.gz DZTGRKLZQVYKFE-UHFFFAOYSA-N -1 3 375.428 3.332 20 0 GGADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163394633 1424990108 /nfs/dbraw/zinc/99/01/08/1424990108.db2.gz RQSRLPUVOYSWDJ-PSASIEDQSA-N -1 3 384.401 3.176 20 0 GGADHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163394389 1424990168 /nfs/dbraw/zinc/99/01/68/1424990168.db2.gz RQSRLPUVOYSWDJ-WCBMZHEXSA-N -1 3 384.401 3.176 20 0 GGADHM COC(=O)CN(Cc1cn(C)nc1C(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000180156217 1429768377 /nfs/dbraw/zinc/76/83/77/1429768377.db2.gz HZTNBJAQVQCVRM-UHFFFAOYSA-N -1 3 379.888 3.252 20 0 GGADHM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCN1Cc1ccccc1 ZINC000736212673 1424997143 /nfs/dbraw/zinc/99/71/43/1424997143.db2.gz DACFOLHHPMYJMX-UHFFFAOYSA-N -1 3 380.471 3.102 20 0 GGADHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCN1Cc1ccccc1 ZINC000736212673 1424997147 /nfs/dbraw/zinc/99/71/47/1424997147.db2.gz DACFOLHHPMYJMX-UHFFFAOYSA-N -1 3 380.471 3.102 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000163454682 1425001594 /nfs/dbraw/zinc/00/15/94/1425001594.db2.gz XCDXVSKYMNIJBY-HNNXBMFYSA-N -1 3 396.242 3.425 20 0 GGADHM COCCc1noc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000163489096 1425007189 /nfs/dbraw/zinc/00/71/89/1425007189.db2.gz CPUXUHWZYBVHJG-UHFFFAOYSA-N -1 3 395.459 3.022 20 0 GGADHM Fc1cccc(CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]2CCCO2)c1 ZINC000822786786 1425013088 /nfs/dbraw/zinc/01/30/88/1425013088.db2.gz PNWHYARWDRDZRK-SFHVURJKSA-N -1 3 385.418 3.326 20 0 GGADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc3n[n-]nc32)cn1 ZINC000163550938 1425016579 /nfs/dbraw/zinc/01/65/79/1425016579.db2.gz FPFOXWLSVCBBIG-UHFFFAOYSA-N -1 3 389.415 3.474 20 0 GGADHM O=C(Nc1cccc(CNC(=O)c2cccc3n[n-]nc32)c1)c1cccc(F)c1 ZINC000163560666 1425018364 /nfs/dbraw/zinc/01/83/64/1425018364.db2.gz RSYHJMJRSMWVAF-UHFFFAOYSA-N -1 3 389.390 3.279 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000163567503 1425018906 /nfs/dbraw/zinc/01/89/06/1425018906.db2.gz KEWMEVSOZPOMDT-CQSZACIVSA-N -1 3 396.242 3.425 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000163609875 1425024478 /nfs/dbraw/zinc/02/44/78/1425024478.db2.gz RWUHBELKZROTPD-AWEZNQCLSA-N -1 3 390.867 3.462 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000163688006 1425033666 /nfs/dbraw/zinc/03/36/66/1425033666.db2.gz CKBIOASGLNFTCM-UHFFFAOYSA-N -1 3 399.253 3.265 20 0 GGADHM COCC[S@](=O)Cc1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC000163740452 1425039934 /nfs/dbraw/zinc/03/99/34/1425039934.db2.gz RISYRZMDMBYUHX-MUUNZHRXSA-N -1 3 398.484 3.396 20 0 GGADHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nnc2ccccc2c1[O-] ZINC000163856826 1425051388 /nfs/dbraw/zinc/05/13/88/1425051388.db2.gz WYYAIXGAIJRWIJ-UHFFFAOYSA-N -1 3 399.332 3.380 20 0 GGADHM O=C(C[C@H]1CCCN1CCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822945536 1425117223 /nfs/dbraw/zinc/11/72/23/1425117223.db2.gz JFOIZBLGTCDXSU-OAHLLOKOSA-N -1 3 383.477 3.044 20 0 GGADHM O=C(C[C@H]1CCCN1CCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000822945536 1425117224 /nfs/dbraw/zinc/11/72/24/1425117224.db2.gz JFOIZBLGTCDXSU-OAHLLOKOSA-N -1 3 383.477 3.044 20 0 GGADHM Cc1cccc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1C ZINC000164611396 1425128684 /nfs/dbraw/zinc/12/86/84/1425128684.db2.gz DCKCWWGDHIATPL-UHFFFAOYSA-N -1 3 380.231 3.010 20 0 GGADHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)no1 ZINC000164957444 1425153098 /nfs/dbraw/zinc/15/30/98/1425153098.db2.gz CDYXKVXWRXMNQR-VIFPVBQESA-N -1 3 380.495 3.325 20 0 GGADHM Cc1cccc(NC[C@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000822323509 1425212134 /nfs/dbraw/zinc/21/21/34/1425212134.db2.gz JEXPGAMFWUBPIB-OAHLLOKOSA-N -1 3 386.463 3.057 20 0 GGADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000167315646 1425225299 /nfs/dbraw/zinc/22/52/99/1425225299.db2.gz PRXZVPFJWHWVTI-GLQYFDAESA-N -1 3 393.402 3.471 20 0 GGADHM C[C@@](CO)(NCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736039014 1425226855 /nfs/dbraw/zinc/22/68/55/1425226855.db2.gz YXBHEUJUCVTJOW-KRWDZBQOSA-N -1 3 395.360 3.022 20 0 GGADHM C[C@@](CO)(NCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000736039014 1425226860 /nfs/dbraw/zinc/22/68/60/1425226860.db2.gz YXBHEUJUCVTJOW-KRWDZBQOSA-N -1 3 395.360 3.022 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000822240223 1425231294 /nfs/dbraw/zinc/23/12/94/1425231294.db2.gz XVTCEOVESNPEMJ-KSSFIOAISA-N -1 3 394.454 3.160 20 0 GGADHM Cc1ccc(F)c(N2CCC[C@H](N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000822240223 1425231298 /nfs/dbraw/zinc/23/12/98/1425231298.db2.gz XVTCEOVESNPEMJ-KSSFIOAISA-N -1 3 394.454 3.160 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000826169895 1425247796 /nfs/dbraw/zinc/24/77/96/1425247796.db2.gz JEKQYYJIMLUIMZ-FQEVSTJZSA-N -1 3 395.463 3.133 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000826169895 1425247799 /nfs/dbraw/zinc/24/77/99/1425247799.db2.gz JEKQYYJIMLUIMZ-FQEVSTJZSA-N -1 3 395.463 3.133 20 0 GGADHM C[C@H](NCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000824586447 1425261103 /nfs/dbraw/zinc/26/11/03/1425261103.db2.gz ZCVBRYKFCJNBRQ-NSHDSACASA-N -1 3 388.834 3.339 20 0 GGADHM C[C@H](NCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000824586447 1425261107 /nfs/dbraw/zinc/26/11/07/1425261107.db2.gz ZCVBRYKFCJNBRQ-NSHDSACASA-N -1 3 388.834 3.339 20 0 GGADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170656403 1425279562 /nfs/dbraw/zinc/27/95/62/1425279562.db2.gz FEGNTBQHTGXLAV-UHFFFAOYSA-N -1 3 399.303 3.415 20 0 GGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000824993396 1425300894 /nfs/dbraw/zinc/30/08/94/1425300894.db2.gz QKWYLYPMVZTRSN-YCRPNKLZSA-N -1 3 385.475 3.460 20 0 GGADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000824993396 1425300901 /nfs/dbraw/zinc/30/09/01/1425300901.db2.gz QKWYLYPMVZTRSN-YCRPNKLZSA-N -1 3 385.475 3.460 20 0 GGADHM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000170706267 1425309585 /nfs/dbraw/zinc/30/95/85/1425309585.db2.gz GMNMYMALJDQPFP-UHFFFAOYSA-N -1 3 393.365 3.401 20 0 GGADHM Cc1ccc(C(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)c([O-])c1 ZINC000170724856 1425319062 /nfs/dbraw/zinc/31/90/62/1425319062.db2.gz YEDATIIJOZHTNW-UHFFFAOYSA-N -1 3 390.443 3.347 20 0 GGADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000736331519 1425344898 /nfs/dbraw/zinc/34/48/98/1425344898.db2.gz QAZDRUJNZJXXJB-RYUDHWBXSA-N -1 3 376.892 3.358 20 0 GGADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000736331519 1425344903 /nfs/dbraw/zinc/34/49/03/1425344903.db2.gz QAZDRUJNZJXXJB-RYUDHWBXSA-N -1 3 376.892 3.358 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000170828140 1425357864 /nfs/dbraw/zinc/35/78/64/1425357864.db2.gz WXUOCMKBYNZFSW-UHFFFAOYSA-N -1 3 399.466 3.063 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OC(F)F)c(F)c2)c([O-])c1 ZINC000170827556 1425358091 /nfs/dbraw/zinc/35/80/91/1425358091.db2.gz IKRRNCOIJWBLHQ-UHFFFAOYSA-N -1 3 382.338 3.200 20 0 GGADHM CN(C)Cc1ccccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736771782 1425369181 /nfs/dbraw/zinc/36/91/81/1425369181.db2.gz RUAZDEVBPDDIAC-UHFFFAOYSA-N -1 3 394.479 3.116 20 0 GGADHM CN(C)Cc1ccccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736771782 1425369185 /nfs/dbraw/zinc/36/91/85/1425369185.db2.gz RUAZDEVBPDDIAC-UHFFFAOYSA-N -1 3 394.479 3.116 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CC2)c(Cl)cc1Cl ZINC000171007186 1425433844 /nfs/dbraw/zinc/43/38/44/1425433844.db2.gz NGTWHZNQPXOBDE-SNVBAGLBSA-N -1 3 393.336 3.456 20 0 GGADHM Cc1sc2ncn([N-]C(=O)c3cc(F)cc4[nH]c(=S)[nH]c43)c(=O)c2c1C ZINC000171016236 1425438041 /nfs/dbraw/zinc/43/80/41/1425438041.db2.gz HZXOCORFQJXBFO-UHFFFAOYSA-N -1 3 389.437 3.137 20 0 GGADHM CN(Cc1ccc(C(=O)OC(C)(C)C)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825965856 1425448725 /nfs/dbraw/zinc/44/87/25/1425448725.db2.gz GKGKBCSCAWJMJP-UHFFFAOYSA-N -1 3 379.464 3.454 20 0 GGADHM CN(Cc1ccc(C(=O)OC(C)(C)C)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825965856 1425448730 /nfs/dbraw/zinc/44/87/30/1425448730.db2.gz GKGKBCSCAWJMJP-UHFFFAOYSA-N -1 3 379.464 3.454 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc1 ZINC000171066373 1425465262 /nfs/dbraw/zinc/46/52/62/1425465262.db2.gz UVMNAVFODSIXKN-GFCCVEGCSA-N -1 3 392.283 3.109 20 0 GGADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000171088205 1425476596 /nfs/dbraw/zinc/47/65/96/1425476596.db2.gz VDVQQGMGSYPLTE-UHFFFAOYSA-N -1 3 399.303 3.279 20 0 GGADHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)ccc21 ZINC000171090716 1425477330 /nfs/dbraw/zinc/47/73/30/1425477330.db2.gz BSZHXQOPXKFLDB-UHFFFAOYSA-N -1 3 390.314 3.090 20 0 GGADHM CN(Cc1ccc(Br)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821609609 1425518593 /nfs/dbraw/zinc/51/85/93/1425518593.db2.gz DVYUIEJAKHMEDF-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM CN(Cc1ccc(Br)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821609609 1425518597 /nfs/dbraw/zinc/51/85/97/1425518597.db2.gz DVYUIEJAKHMEDF-UHFFFAOYSA-N -1 3 376.233 3.400 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821175916 1425524029 /nfs/dbraw/zinc/52/40/29/1425524029.db2.gz ZLAOHRWUDBRCTN-OAHLLOKOSA-N -1 3 378.480 3.200 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821175916 1425524035 /nfs/dbraw/zinc/52/40/35/1425524035.db2.gz ZLAOHRWUDBRCTN-OAHLLOKOSA-N -1 3 378.480 3.200 20 0 GGADHM C/C(=C\C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000171183666 1425529330 /nfs/dbraw/zinc/52/93/30/1425529330.db2.gz ZJARSVIVZPYKNP-CCEZHUSRSA-N -1 3 384.863 3.434 20 0 GGADHM COc1ccccc1[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000171187815 1425530819 /nfs/dbraw/zinc/53/08/19/1425530819.db2.gz KVYZFVNPSANLBY-SFHVURJKSA-N -1 3 382.460 3.193 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(NC(=O)c4cnn(C)c4)cc3)n[n-]2)o1 ZINC000171199473 1425536452 /nfs/dbraw/zinc/53/64/52/1425536452.db2.gz XORYKCNJLHRNAM-UHFFFAOYSA-N -1 3 391.387 3.183 20 0 GGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(NC(=O)c4cnn(C)c4)cc3)[n-]n2)o1 ZINC000171199473 1425536461 /nfs/dbraw/zinc/53/64/61/1425536461.db2.gz XORYKCNJLHRNAM-UHFFFAOYSA-N -1 3 391.387 3.183 20 0 GGADHM O=C(c1ncccc1[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000171239631 1425560289 /nfs/dbraw/zinc/56/02/89/1425560289.db2.gz HCGMNBRYFKITEF-UHFFFAOYSA-N -1 3 379.382 3.154 20 0 GGADHM CC[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820987646 1425569834 /nfs/dbraw/zinc/56/98/34/1425569834.db2.gz ALZPMPXQWXQGPC-CHWSQXEVSA-N -1 3 388.541 3.256 20 0 GGADHM CCN1CC[C@@H](NCc2ccc(-c3nn[n-]n3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454219 1425646927 /nfs/dbraw/zinc/64/69/27/1425646927.db2.gz ZRYUEWNRASVQMG-NVXWUHKLSA-N -1 3 390.850 3.177 20 0 GGADHM CCN1CC[C@@H](NCc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454219 1425646937 /nfs/dbraw/zinc/64/69/37/1425646937.db2.gz ZRYUEWNRASVQMG-NVXWUHKLSA-N -1 3 390.850 3.177 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)NC(=O)C3CCCC3)c2)n1 ZINC000171382222 1425652047 /nfs/dbraw/zinc/65/20/47/1425652047.db2.gz NDWXACUAEXOHDN-AWEZNQCLSA-N -1 3 396.491 3.023 20 0 GGADHM Clc1ccc(C2=NO[C@H](CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)C2)cc1 ZINC000826351725 1425671129 /nfs/dbraw/zinc/67/11/29/1425671129.db2.gz XQGWCSBEEONAHK-KRWDZBQOSA-N -1 3 394.866 3.292 20 0 GGADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000171443156 1425681258 /nfs/dbraw/zinc/68/12/58/1425681258.db2.gz YKXPONZFUOCUIY-UHFFFAOYSA-N -1 3 392.440 3.032 20 0 GGADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000171464958 1425690786 /nfs/dbraw/zinc/69/07/86/1425690786.db2.gz WRJFEPQSGPBOEI-NSHDSACASA-N -1 3 391.452 3.493 20 0 GGADHM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000171509459 1425709365 /nfs/dbraw/zinc/70/93/65/1425709365.db2.gz WLRIZTRSWRXMFG-ZDUSSCGKSA-N -1 3 388.464 3.026 20 0 GGADHM COc1ccccc1SC[C@H](C)CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000171519669 1425712114 /nfs/dbraw/zinc/71/21/14/1425712114.db2.gz OVIYTCAEVXXLSS-RFRKOGIWSA-N -1 3 382.485 3.324 20 0 GGADHM CCCN1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736481349 1425778268 /nfs/dbraw/zinc/77/82/68/1425778268.db2.gz OCRDCHYHRGALDH-IBGZPJMESA-N -1 3 392.463 3.472 20 0 GGADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1C ZINC000171701791 1425793663 /nfs/dbraw/zinc/79/36/63/1425793663.db2.gz VRENXMLCLHWODM-UHFFFAOYSA-N -1 3 388.489 3.491 20 0 GGADHM COc1cccc([C@H](C)N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1 ZINC000171706728 1425797854 /nfs/dbraw/zinc/79/78/54/1425797854.db2.gz YDZYZMOOJKDTCB-INIZCTEOSA-N -1 3 394.471 3.386 20 0 GGADHM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735693761 1425798657 /nfs/dbraw/zinc/79/86/57/1425798657.db2.gz LYVJEDXETFOISV-IBGZPJMESA-N -1 3 392.479 3.035 20 0 GGADHM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735693761 1425798663 /nfs/dbraw/zinc/79/86/63/1425798663.db2.gz LYVJEDXETFOISV-IBGZPJMESA-N -1 3 392.479 3.035 20 0 GGADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1cccc(Br)c1)C1CC1 ZINC000171766449 1425814877 /nfs/dbraw/zinc/81/48/77/1425814877.db2.gz QKFKLBFQSDGCHX-UHFFFAOYSA-N -1 3 398.260 3.490 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000171801681 1425824130 /nfs/dbraw/zinc/82/41/30/1425824130.db2.gz FFBWHTACYLQUMB-INIZCTEOSA-N -1 3 390.505 3.027 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c1 ZINC000171801682 1425824191 /nfs/dbraw/zinc/82/41/91/1425824191.db2.gz FFBWHTACYLQUMB-MRXNPFEDSA-N -1 3 390.505 3.027 20 0 GGADHM COCOc1ccc(OC)cc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826163733 1425842104 /nfs/dbraw/zinc/84/21/04/1425842104.db2.gz IVZDWVQKNJOGEA-UHFFFAOYSA-N -1 3 397.479 3.269 20 0 GGADHM CN1CCN(c2ccc(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)CC1 ZINC000826045414 1425852133 /nfs/dbraw/zinc/85/21/33/1425852133.db2.gz VXJLATSDGVBADC-NRFANRHFSA-N -1 3 389.507 3.108 20 0 GGADHM CN1CCN(c2ccc(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2)CC1 ZINC000826045414 1425852142 /nfs/dbraw/zinc/85/21/42/1425852142.db2.gz VXJLATSDGVBADC-NRFANRHFSA-N -1 3 389.507 3.108 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C)nc3C(C)C)c2)n1 ZINC000172103025 1425896666 /nfs/dbraw/zinc/89/66/66/1425896666.db2.gz HSSAWWSGQLLDEJ-UHFFFAOYSA-N -1 3 377.448 3.473 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094833 1425932720 /nfs/dbraw/zinc/93/27/20/1425932720.db2.gz IQUOZLXKPSASAC-SQNIBIBYSA-N -1 3 383.496 3.342 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094833 1425932723 /nfs/dbraw/zinc/93/27/23/1425932723.db2.gz IQUOZLXKPSASAC-SQNIBIBYSA-N -1 3 383.496 3.342 20 0 GGADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000172192862 1425940201 /nfs/dbraw/zinc/94/02/01/1425940201.db2.gz XWRYJSJSKYVKQD-UHFFFAOYSA-N -1 3 387.505 3.243 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000172249652 1425966499 /nfs/dbraw/zinc/96/64/99/1425966499.db2.gz VXNJUBLUBGMIOJ-UHFFFAOYSA-N -1 3 396.896 3.297 20 0 GGADHM CCc1nc2cc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2o1 ZINC000172252356 1425967943 /nfs/dbraw/zinc/96/79/43/1425967943.db2.gz MMRSBZGIIPUELZ-UHFFFAOYSA-N -1 3 394.431 3.086 20 0 GGADHM Cc1n[nH]cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000172322079 1425997563 /nfs/dbraw/zinc/99/75/63/1425997563.db2.gz WTZDPTAERDDKOJ-UHFFFAOYSA-N -1 3 388.424 3.219 20 0 GGADHM Cc1cccc(C2(NCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737390203 1426000797 /nfs/dbraw/zinc/00/07/97/1426000797.db2.gz SRVQNNMDOFOAJM-UHFFFAOYSA-N -1 3 376.464 3.173 20 0 GGADHM Cc1cccc(C2(NCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737390203 1426000804 /nfs/dbraw/zinc/00/08/04/1426000804.db2.gz SRVQNNMDOFOAJM-UHFFFAOYSA-N -1 3 376.464 3.173 20 0 GGADHM CCCOc1ccc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OCC ZINC000825339407 1426012373 /nfs/dbraw/zinc/01/23/73/1426012373.db2.gz ZFERKSLXXCEYPR-UHFFFAOYSA-N -1 3 397.479 3.353 20 0 GGADHM CCCOc1ccc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OCC ZINC000825339407 1426012383 /nfs/dbraw/zinc/01/23/83/1426012383.db2.gz ZFERKSLXXCEYPR-UHFFFAOYSA-N -1 3 397.479 3.353 20 0 GGADHM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000172373218 1426018295 /nfs/dbraw/zinc/01/82/95/1426018295.db2.gz OVVPRKKXZGOBPT-UHFFFAOYSA-N -1 3 381.285 3.256 20 0 GGADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000172465937 1426051806 /nfs/dbraw/zinc/05/18/06/1426051806.db2.gz VOYYVQNPINIZAM-SNVBAGLBSA-N -1 3 380.691 3.498 20 0 GGADHM C[C@@H](CN(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC000824412979 1426081769 /nfs/dbraw/zinc/08/17/69/1426081769.db2.gz IBTYRCYSUUDCIU-JXFKEZNVSA-N -1 3 390.491 3.098 20 0 GGADHM C[C@@H](CN(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000824412979 1426081776 /nfs/dbraw/zinc/08/17/76/1426081776.db2.gz IBTYRCYSUUDCIU-JXFKEZNVSA-N -1 3 390.491 3.098 20 0 GGADHM c1cnn(-c2ccc(CN3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2)c1 ZINC000823867812 1426119123 /nfs/dbraw/zinc/11/91/23/1426119123.db2.gz IYIBHPSYQIJAHD-UHFFFAOYSA-N -1 3 383.459 3.342 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CCC3)c2)cc1 ZINC000172773010 1426180908 /nfs/dbraw/zinc/18/09/08/1426180908.db2.gz SWLUSMOPSXVSPB-UHFFFAOYSA-N -1 3 388.489 3.429 20 0 GGADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1C ZINC000172809990 1426199231 /nfs/dbraw/zinc/19/92/31/1426199231.db2.gz CBBYAGJXWGJHMJ-UHFFFAOYSA-N -1 3 388.489 3.491 20 0 GGADHM c1ccc(N2CCN(Cc3cccc(-c4cccnc4)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000826525317 1426238679 /nfs/dbraw/zinc/23/86/79/1426238679.db2.gz FITGCEPWKUUXSL-UHFFFAOYSA-N -1 3 397.486 3.251 20 0 GGADHM c1ccc(N2CCN(Cc3cccc(-c4cccnc4)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000826525317 1426238688 /nfs/dbraw/zinc/23/86/88/1426238688.db2.gz FITGCEPWKUUXSL-UHFFFAOYSA-N -1 3 397.486 3.251 20 0 GGADHM O[C@H](CNCc1ccccc1OC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823690854 1426241097 /nfs/dbraw/zinc/24/10/97/1426241097.db2.gz WEVGUWMHYUWOKF-LJQANCHMSA-N -1 3 379.464 3.011 20 0 GGADHM O[C@H](CNCc1ccccc1OC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823690854 1426241100 /nfs/dbraw/zinc/24/11/00/1426241100.db2.gz WEVGUWMHYUWOKF-LJQANCHMSA-N -1 3 379.464 3.011 20 0 GGADHM O=S(=O)([N-]Nc1c(F)cc(F)cc1Br)c1cc(F)cc(F)c1 ZINC000172900482 1426246406 /nfs/dbraw/zinc/24/64/06/1426246406.db2.gz KVBKZDPSOAWKPI-UHFFFAOYSA-N -1 3 399.163 3.311 20 0 GGADHM C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824530724 1426255479 /nfs/dbraw/zinc/25/54/79/1426255479.db2.gz MXHHAYHQPRMCIW-BDJLRTHQSA-N -1 3 377.370 3.270 20 0 GGADHM C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824530724 1426255484 /nfs/dbraw/zinc/25/54/84/1426255484.db2.gz MXHHAYHQPRMCIW-BDJLRTHQSA-N -1 3 377.370 3.270 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H]4[C@H](C3)C4(C)C)nc(=O)c2c1C ZINC000172950405 1426281659 /nfs/dbraw/zinc/28/16/59/1426281659.db2.gz NPLMDLZTELSQQX-SDDRHHMPSA-N -1 3 375.494 3.119 20 0 GGADHM S=c1nc(-c2ccccn2)[n-]n1CN1CC[C@@H](COCc2ccccc2)C1 ZINC000172970174 1426288590 /nfs/dbraw/zinc/28/85/90/1426288590.db2.gz KGHUIWRTJWSTGP-QGZVFWFLSA-N -1 3 381.505 3.499 20 0 GGADHM O=S(=O)([N-][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1 ZINC000173002766 1426304182 /nfs/dbraw/zinc/30/41/82/1426304182.db2.gz XGLUFBZNFXPRHG-VXGBXAGGSA-N -1 3 391.390 3.411 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)c3cnn(C)c3)c2)cc1 ZINC000173010777 1426306521 /nfs/dbraw/zinc/30/65/21/1426306521.db2.gz KFFNDCWWCUGXEH-UHFFFAOYSA-N -1 3 398.488 3.114 20 0 GGADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc3cc(F)ccc3o2)c1 ZINC000173142757 1426362703 /nfs/dbraw/zinc/36/27/03/1426362703.db2.gz KEROJVCNTIBZLZ-UHFFFAOYSA-N -1 3 380.372 3.214 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826506209 1426396909 /nfs/dbraw/zinc/39/69/09/1426396909.db2.gz ORHRLZDOCIDWCD-SJORKVTESA-N -1 3 389.381 3.193 20 0 GGADHM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826506209 1426396912 /nfs/dbraw/zinc/39/69/12/1426396912.db2.gz ORHRLZDOCIDWCD-SJORKVTESA-N -1 3 389.381 3.193 20 0 GGADHM C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413519 1426398491 /nfs/dbraw/zinc/39/84/91/1426398491.db2.gz RIQOGJPCHQFIOQ-GUYCJALGSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820413519 1426398495 /nfs/dbraw/zinc/39/84/95/1426398495.db2.gz RIQOGJPCHQFIOQ-GUYCJALGSA-N -1 3 396.882 3.366 20 0 GGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccncc1 ZINC000173220146 1426401717 /nfs/dbraw/zinc/40/17/17/1426401717.db2.gz MPGAPQBUXONNHI-LLVKDONJSA-N -1 3 390.690 3.322 20 0 GGADHM CC(C)c1nn(C)c2sc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc12 ZINC000173276583 1426455198 /nfs/dbraw/zinc/45/51/98/1426455198.db2.gz CBZMJWAGRHGLRC-UHFFFAOYSA-N -1 3 392.506 3.382 20 0 GGADHM CC(C)Cc1ccc([C@H](C)NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280590 1426473969 /nfs/dbraw/zinc/47/39/69/1426473969.db2.gz PSELIDSKJGQEMX-INIZCTEOSA-N -1 3 392.507 3.032 20 0 GGADHM CC(C)Cc1ccc([C@H](C)NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280590 1426473974 /nfs/dbraw/zinc/47/39/74/1426473974.db2.gz PSELIDSKJGQEMX-INIZCTEOSA-N -1 3 392.507 3.032 20 0 GGADHM COc1ccc([C@H]2CCCN2Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826189998 1426495182 /nfs/dbraw/zinc/49/51/82/1426495182.db2.gz MEBZHVQKXCEJBR-GOSISDBHSA-N -1 3 395.463 3.230 20 0 GGADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2F)CCCN1c1ccccc1Cl ZINC000173331504 1426513533 /nfs/dbraw/zinc/51/35/33/1426513533.db2.gz MVRHZLJNTOHXEK-INIZCTEOSA-N -1 3 396.871 3.094 20 0 GGADHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2F)CCCN1c1ccccc1Cl ZINC000173331490 1426513544 /nfs/dbraw/zinc/51/35/44/1426513544.db2.gz MVRHZLJNTOHXEK-MRXNPFEDSA-N -1 3 396.871 3.094 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480287 1426528510 /nfs/dbraw/zinc/52/85/10/1426528510.db2.gz AWYZKYOMJYVWMV-ARFHVFGLSA-N -1 3 392.507 3.346 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480287 1426528513 /nfs/dbraw/zinc/52/85/13/1426528513.db2.gz AWYZKYOMJYVWMV-ARFHVFGLSA-N -1 3 392.507 3.346 20 0 GGADHM O=C(CNC1(c2ccccc2)CCC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737895698 1426539897 /nfs/dbraw/zinc/53/98/97/1426539897.db2.gz QLUMDADQQDJIKL-UHFFFAOYSA-N -1 3 382.855 3.128 20 0 GGADHM c1ccc(C(c2ccccc2)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826520778 1426543844 /nfs/dbraw/zinc/54/38/44/1426543844.db2.gz QYYIZHAUFGDZMW-UHFFFAOYSA-N -1 3 397.486 3.173 20 0 GGADHM c1ccc(C(c2ccccc2)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826520778 1426543848 /nfs/dbraw/zinc/54/38/48/1426543848.db2.gz QYYIZHAUFGDZMW-UHFFFAOYSA-N -1 3 397.486 3.173 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2C)C(C)C)c(-c2nn[n-]n2)c1C ZINC000826305859 1426572118 /nfs/dbraw/zinc/57/21/18/1426572118.db2.gz KDHLMDNLMGWXOH-GOSISDBHSA-N -1 3 382.468 3.310 20 0 GGADHM Cc1oc(NC(=O)CN[C@@H](c2ccccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826305859 1426572119 /nfs/dbraw/zinc/57/21/19/1426572119.db2.gz KDHLMDNLMGWXOH-GOSISDBHSA-N -1 3 382.468 3.310 20 0 GGADHM CC[C@@H]1c2ccsc2CCN1Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825218540 1426574738 /nfs/dbraw/zinc/57/47/38/1426574738.db2.gz DGLHAHSNFWJBLQ-OAHLLOKOSA-N -1 3 383.477 3.224 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc[nH]3)c2)cc1 ZINC000173396100 1426575149 /nfs/dbraw/zinc/57/51/49/1426575149.db2.gz NDLQLFJRZDNJKU-UHFFFAOYSA-N -1 3 399.472 3.063 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000824528453 1426585148 /nfs/dbraw/zinc/58/51/48/1426585148.db2.gz AASDAMJAVFTZGL-ZQIUZPCESA-N -1 3 396.520 3.331 20 0 GGADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000824528453 1426585154 /nfs/dbraw/zinc/58/51/54/1426585154.db2.gz AASDAMJAVFTZGL-ZQIUZPCESA-N -1 3 396.520 3.331 20 0 GGADHM CC(C)c1ccc([C@H](C)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000824347823 1426595722 /nfs/dbraw/zinc/59/57/22/1426595722.db2.gz OXYRCQXVEIACSC-INIZCTEOSA-N -1 3 377.496 3.268 20 0 GGADHM CC(C)c1ccc([C@H](C)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000824347823 1426595725 /nfs/dbraw/zinc/59/57/25/1426595725.db2.gz OXYRCQXVEIACSC-INIZCTEOSA-N -1 3 377.496 3.268 20 0 GGADHM Cc1sc(NC(=O)CN[C@@]2(C)CCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822562686 1426615357 /nfs/dbraw/zinc/61/53/57/1426615357.db2.gz DAWZNXWHWZZJAK-FQEVSTJZSA-N -1 3 396.520 3.325 20 0 GGADHM Cc1sc(NC(=O)CN[C@@]2(C)CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822562686 1426615360 /nfs/dbraw/zinc/61/53/60/1426615360.db2.gz DAWZNXWHWZZJAK-FQEVSTJZSA-N -1 3 396.520 3.325 20 0 GGADHM Clc1cc(CNCc2cc(-c3nn[n-]n3)cs2)cc2c1OCCCO2 ZINC000822568111 1426625013 /nfs/dbraw/zinc/62/50/13/1426625013.db2.gz LQCWNVYCSUVDNF-UHFFFAOYSA-N -1 3 377.857 3.033 20 0 GGADHM Clc1cc(CNCc2cc(-c3nnn[n-]3)cs2)cc2c1OCCCO2 ZINC000822568111 1426625021 /nfs/dbraw/zinc/62/50/21/1426625021.db2.gz LQCWNVYCSUVDNF-UHFFFAOYSA-N -1 3 377.857 3.033 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)on1 ZINC000173494583 1426665853 /nfs/dbraw/zinc/66/58/53/1426665853.db2.gz VPOBBGRQJVPWBL-UHFFFAOYSA-N -1 3 380.466 3.152 20 0 GGADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)on1 ZINC000173494890 1426666464 /nfs/dbraw/zinc/66/64/64/1426666464.db2.gz ZZVJISADZTZHKX-UHFFFAOYSA-N -1 3 380.466 3.152 20 0 GGADHM Clc1ccc(C2=CCN(CCOc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826351740 1426680576 /nfs/dbraw/zinc/68/05/76/1426680576.db2.gz YOGCXUUOXJWQDD-UHFFFAOYSA-N -1 3 382.855 3.083 20 0 GGADHM COc1ccccc1[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)N1CCCC1 ZINC000821883388 1426689723 /nfs/dbraw/zinc/68/97/23/1426689723.db2.gz VCLIVISXSLPPAL-SFHVURJKSA-N -1 3 382.443 3.263 20 0 GGADHM COc1ccccc1[C@H](CNc1ccc(-c2nnn[n-]2)cc1F)N1CCCC1 ZINC000821883388 1426689738 /nfs/dbraw/zinc/68/97/38/1426689738.db2.gz VCLIVISXSLPPAL-SFHVURJKSA-N -1 3 382.443 3.263 20 0 GGADHM COc1ccnc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826220906 1426694350 /nfs/dbraw/zinc/69/43/50/1426694350.db2.gz GGLYHDSUTBKPSL-UHFFFAOYSA-N -1 3 388.431 3.461 20 0 GGADHM Cn1cc(CN2CCC(C(F)(F)F)CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360364 1426734817 /nfs/dbraw/zinc/73/48/17/1426734817.db2.gz HZQKYZFXYWTFLX-UHFFFAOYSA-N -1 3 391.401 3.042 20 0 GGADHM Fc1cccc(Cl)c1[C@@H](CNCc1ccc(-c2nn[n-]n2)o1)N1CCCC1 ZINC000822786782 1426760095 /nfs/dbraw/zinc/76/00/95/1426760095.db2.gz PHCHLGGRZOGWBN-OAHLLOKOSA-N -1 3 390.850 3.179 20 0 GGADHM Fc1cccc(Cl)c1[C@@H](CNCc1ccc(-c2nnn[n-]2)o1)N1CCCC1 ZINC000822786782 1426760098 /nfs/dbraw/zinc/76/00/98/1426760098.db2.gz PHCHLGGRZOGWBN-OAHLLOKOSA-N -1 3 390.850 3.179 20 0 GGADHM CC(C)COc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824271836 1426767180 /nfs/dbraw/zinc/76/71/80/1426767180.db2.gz RAWLUJRQMIMYDF-HNNXBMFYSA-N -1 3 394.479 3.191 20 0 GGADHM CCC[C@H]1[C@@H](C)CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000173708872 1426828235 /nfs/dbraw/zinc/82/82/35/1426828235.db2.gz GUOHVELVSWSIOU-AAEUAGOBSA-N -1 3 377.510 3.480 20 0 GGADHM C[C@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000824565150 1426830053 /nfs/dbraw/zinc/83/00/53/1426830053.db2.gz ZYOFHIIIWJHJSA-HNNXBMFYSA-N -1 3 399.458 3.218 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000173747578 1426838609 /nfs/dbraw/zinc/83/86/09/1426838609.db2.gz QLGRVXDYOWLHKL-NSHDSACASA-N -1 3 399.373 3.071 20 0 GGADHM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000173747578 1426838610 /nfs/dbraw/zinc/83/86/10/1426838610.db2.gz QLGRVXDYOWLHKL-NSHDSACASA-N -1 3 399.373 3.071 20 0 GGADHM COC(=O)c1cc2cc(CN(C)Cc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000736951966 1426850505 /nfs/dbraw/zinc/85/05/05/1426850505.db2.gz WXPAADCHPIMHKU-UHFFFAOYSA-N -1 3 377.404 3.032 20 0 GGADHM COC(=O)c1cc2cc(CN(C)Cc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000736951966 1426850516 /nfs/dbraw/zinc/85/05/16/1426850516.db2.gz WXPAADCHPIMHKU-UHFFFAOYSA-N -1 3 377.404 3.032 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826306112 1426852140 /nfs/dbraw/zinc/85/21/40/1426852140.db2.gz QKMCWCWKGICVOW-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1ccccc1[C@H](CC(C)C)NCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826306112 1426852145 /nfs/dbraw/zinc/85/21/45/1426852145.db2.gz QKMCWCWKGICVOW-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc1 ZINC000173806978 1426856498 /nfs/dbraw/zinc/85/64/98/1426856498.db2.gz BGNPSZSJTZEDRH-LLVKDONJSA-N -1 3 379.240 3.194 20 0 GGADHM C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C(=O)c1cccc(F)c1 ZINC000173815940 1426859160 /nfs/dbraw/zinc/85/91/60/1426859160.db2.gz GBMDROXTVCAWGZ-LBPRGKRZSA-N -1 3 378.425 3.045 20 0 GGADHM Cc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(-c2nc(C3CC3)no2)c1 ZINC000173869198 1426876667 /nfs/dbraw/zinc/87/66/67/1426876667.db2.gz LBYWQXOZFGUJRN-UHFFFAOYSA-N -1 3 393.447 3.194 20 0 GGADHM CCS[C@H]1CC[C@@H](N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000173869008 1426876730 /nfs/dbraw/zinc/87/67/30/1426876730.db2.gz VZECPIXMHFEDAI-NEPJUHHUSA-N -1 3 395.550 3.186 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCS[C@@H](CC)C3)nc(=O)c2c1C ZINC000173926812 1426895425 /nfs/dbraw/zinc/89/54/25/1426895425.db2.gz PKNIKPNYCHRVDP-RYUDHWBXSA-N -1 3 395.550 3.358 20 0 GGADHM CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820875490 1426910231 /nfs/dbraw/zinc/91/02/31/1426910231.db2.gz BLBXAXAMUCXSRD-CABCVRRESA-N -1 3 378.480 3.246 20 0 GGADHM CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824348048 1426926059 /nfs/dbraw/zinc/92/60/59/1426926059.db2.gz XWNCJPVDEHHSFQ-HNNXBMFYSA-N -1 3 399.520 3.115 20 0 GGADHM CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348048 1426926065 /nfs/dbraw/zinc/92/60/65/1426926065.db2.gz XWNCJPVDEHHSFQ-HNNXBMFYSA-N -1 3 399.520 3.115 20 0 GGADHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)[C@H]1c1ccccc1 ZINC000173995140 1426932852 /nfs/dbraw/zinc/93/28/52/1426932852.db2.gz FSSMDVFNLCOUTE-BFUOFWGJSA-N -1 3 388.464 3.100 20 0 GGADHM C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)[C@H]1c1ccccc1 ZINC000173995154 1426932891 /nfs/dbraw/zinc/93/28/91/1426932891.db2.gz FSSMDVFNLCOUTE-ORAYPTAESA-N -1 3 388.464 3.100 20 0 GGADHM Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(CN(C)C)c1 ZINC000174005569 1426938559 /nfs/dbraw/zinc/93/85/59/1426938559.db2.gz XPPCJTUVYQFSSU-UHFFFAOYSA-N -1 3 388.468 3.182 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)c1 ZINC000174033430 1426956826 /nfs/dbraw/zinc/95/68/26/1426956826.db2.gz QJNOJMBQMCPVPA-LBPRGKRZSA-N -1 3 391.424 3.065 20 0 GGADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3cccc(F)c3)n2)c1 ZINC000174033189 1426957082 /nfs/dbraw/zinc/95/70/82/1426957082.db2.gz HATAUSFNGHKJAM-LBPRGKRZSA-N -1 3 391.424 3.065 20 0 GGADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCC4)n2)c1 ZINC000174034459 1426958225 /nfs/dbraw/zinc/95/82/25/1426958225.db2.gz XKFHOMOYYZWAFY-CYBMUJFWSA-N -1 3 399.472 3.273 20 0 GGADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000174043262 1426966408 /nfs/dbraw/zinc/96/64/08/1426966408.db2.gz DJGHUKUDFDJLIQ-JTQLQIEISA-N -1 3 396.831 3.105 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000174044972 1426968387 /nfs/dbraw/zinc/96/83/87/1426968387.db2.gz FAQAPBBEJBZASN-GHRIWEEISA-N -1 3 378.428 3.294 20 0 GGADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)cc1 ZINC000174046834 1426970239 /nfs/dbraw/zinc/97/02/39/1426970239.db2.gz JVDONBJMIFSIRN-UHFFFAOYSA-N -1 3 390.505 3.429 20 0 GGADHM c1cc(-c2ccc3c(C4CN(Cc5ccc(-c6nn[n-]n6)cc5)C4)ncn3c2)co1 ZINC001139093910 1426991966 /nfs/dbraw/zinc/99/19/66/1426991966.db2.gz JPDLMXFAFXAALX-UHFFFAOYSA-N -1 3 397.442 3.374 20 0 GGADHM c1cc(-c2ccc3c(C4CN(Cc5ccc(-c6nnn[n-]6)cc5)C4)ncn3c2)co1 ZINC001139093910 1426991968 /nfs/dbraw/zinc/99/19/68/1426991968.db2.gz JPDLMXFAFXAALX-UHFFFAOYSA-N -1 3 397.442 3.374 20 0 GGADHM Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000737470356 1427018029 /nfs/dbraw/zinc/01/80/29/1427018029.db2.gz HXQGDVOGUQOHOK-SNVBAGLBSA-N -1 3 391.526 3.023 20 0 GGADHM O=C(CCC1CCCCC1)[N-]OCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000174145098 1427020309 /nfs/dbraw/zinc/02/03/09/1427020309.db2.gz RGPCMGIHQVPOAQ-IBGZPJMESA-N -1 3 392.471 3.134 20 0 GGADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nc(C(F)(F)F)cs1 ZINC000174175412 1427033615 /nfs/dbraw/zinc/03/36/15/1427033615.db2.gz KDBCZKPSODTOJN-JTQLQIEISA-N -1 3 398.366 3.318 20 0 GGADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000174320032 1427100723 /nfs/dbraw/zinc/10/07/23/1427100723.db2.gz FDNBFLUEEOJPNV-UHFFFAOYSA-N -1 3 381.354 3.049 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1C ZINC000174324826 1427101765 /nfs/dbraw/zinc/10/17/65/1427101765.db2.gz KRFMZMTZBLHRPB-UHFFFAOYSA-N -1 3 392.452 3.322 20 0 GGADHM CCc1ccc([C@@H](CNC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)N(C)C)cc1 ZINC000174452145 1427162522 /nfs/dbraw/zinc/16/25/22/1427162522.db2.gz OYIJIQWDWREZHR-OAQYLSRUSA-N -1 3 392.503 3.069 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)N(CC)CC ZINC000736313023 1427214641 /nfs/dbraw/zinc/21/46/41/1427214641.db2.gz KUSLTEWOZZBCNO-KRWDZBQOSA-N -1 3 395.467 3.113 20 0 GGADHM CC[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1)N(CC)CC ZINC000736313023 1427214645 /nfs/dbraw/zinc/21/46/45/1427214645.db2.gz KUSLTEWOZZBCNO-KRWDZBQOSA-N -1 3 395.467 3.113 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820412828 1427219448 /nfs/dbraw/zinc/21/94/48/1427219448.db2.gz MQZJMGNHBBVFFH-CABCVRRESA-N -1 3 376.464 3.405 20 0 GGADHM C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412828 1427219454 /nfs/dbraw/zinc/21/94/54/1427219454.db2.gz MQZJMGNHBBVFFH-CABCVRRESA-N -1 3 376.464 3.405 20 0 GGADHM Fc1ccc(-c2nn[n-]n2)cc1CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000737651336 1427234694 /nfs/dbraw/zinc/23/46/94/1427234694.db2.gz RRKBYVDFFCRPJB-UHFFFAOYSA-N -1 3 395.438 3.336 20 0 GGADHM Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccccc4[O-])CC3)o2)cc1 ZINC000174606924 1427258405 /nfs/dbraw/zinc/25/84/05/1427258405.db2.gz YUSHGOPCYHTIQL-MRXNPFEDSA-N -1 3 392.459 3.270 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000174608800 1427259726 /nfs/dbraw/zinc/25/97/26/1427259726.db2.gz XXYLYWZHDZSPMV-UHFFFAOYSA-N -1 3 394.393 3.291 20 0 GGADHM Cc1ccccc1-c1noc([C@H](C)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000174609744 1427259940 /nfs/dbraw/zinc/25/99/40/1427259940.db2.gz DYVREZQJXQFGTG-INIZCTEOSA-N -1 3 392.459 3.270 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000174612377 1427262020 /nfs/dbraw/zinc/26/20/20/1427262020.db2.gz NWONBMYRCPCOHN-UHFFFAOYSA-N -1 3 398.850 3.054 20 0 GGADHM Cc1ccc(-c2cc(CN3CCN(C(=O)c4ccccc4[O-])CC3)on2)cc1 ZINC000174612244 1427262267 /nfs/dbraw/zinc/26/22/67/1427262267.db2.gz WBDJZASBZKXCQK-UHFFFAOYSA-N -1 3 377.444 3.314 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC1CC1 ZINC000174672167 1427300681 /nfs/dbraw/zinc/30/06/81/1427300681.db2.gz BVMUYQMLGRJRAK-UHFFFAOYSA-N -1 3 376.453 3.465 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC3CC3)c2)cc1 ZINC000174679336 1427306274 /nfs/dbraw/zinc/30/62/74/1427306274.db2.gz KUZUKWXTCKENAN-UHFFFAOYSA-N -1 3 388.489 3.334 20 0 GGADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1 ZINC000174742324 1427343159 /nfs/dbraw/zinc/34/31/59/1427343159.db2.gz QVKZFFGOXWMSGB-UHFFFAOYSA-N -1 3 396.881 3.494 20 0 GGADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000821160817 1427357299 /nfs/dbraw/zinc/35/72/99/1427357299.db2.gz QSNFECSYHQUHKP-HOCLYGCPSA-N -1 3 396.520 3.226 20 0 GGADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000821160817 1427357305 /nfs/dbraw/zinc/35/73/05/1427357305.db2.gz QSNFECSYHQUHKP-HOCLYGCPSA-N -1 3 396.520 3.226 20 0 GGADHM CC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000174849086 1427405531 /nfs/dbraw/zinc/40/55/31/1427405531.db2.gz XKOSVSLGQQMSGD-LLVKDONJSA-N -1 3 388.415 3.062 20 0 GGADHM COc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000821777763 1427412445 /nfs/dbraw/zinc/41/24/45/1427412445.db2.gz MFVHREBQKUVHMV-STQMWFEESA-N -1 3 380.452 3.246 20 0 GGADHM COc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821777763 1427412447 /nfs/dbraw/zinc/41/24/47/1427412447.db2.gz MFVHREBQKUVHMV-STQMWFEESA-N -1 3 380.452 3.246 20 0 GGADHM C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174875681 1427421887 /nfs/dbraw/zinc/42/18/87/1427421887.db2.gz JTFFHELQMOKPGN-ZDUSSCGKSA-N -1 3 392.452 3.347 20 0 GGADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H](C)c1ccccc1 ZINC000174889436 1427428995 /nfs/dbraw/zinc/42/89/95/1427428995.db2.gz HHZJBSNGIWFETN-SJORKVTESA-N -1 3 381.476 3.052 20 0 GGADHM Cc1cc(CN[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1Cl ZINC000826266873 1427462374 /nfs/dbraw/zinc/46/23/74/1427462374.db2.gz FYEBHHHELMYDPL-GOSISDBHSA-N -1 3 396.882 3.114 20 0 GGADHM Cc1cc(CN[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1Cl ZINC000826266873 1427462378 /nfs/dbraw/zinc/46/23/78/1427462378.db2.gz FYEBHHHELMYDPL-GOSISDBHSA-N -1 3 396.882 3.114 20 0 GGADHM CCCOC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000175002921 1427490844 /nfs/dbraw/zinc/49/08/44/1427490844.db2.gz BYCNVWHSESSYTE-SFHVURJKSA-N -1 3 388.508 3.243 20 0 GGADHM CC(C)(CNC(=O)CSc1n[n-]c(=S)s1)N1CCc2ccccc2C1 ZINC000175063459 1427526527 /nfs/dbraw/zinc/52/65/27/1427526527.db2.gz JAVXZQQYXPDAIW-UHFFFAOYSA-N -1 3 394.591 3.246 20 0 GGADHM CC[C@H](CNCc1ccc(-c2nnn[n-]2)o1)Oc1cccc(C(F)(F)F)c1 ZINC000820908490 1427527395 /nfs/dbraw/zinc/52/73/95/1427527395.db2.gz MNRXUPRZHGTXCZ-GFCCVEGCSA-N -1 3 381.358 3.426 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3nccs3)nc(=O)c2c1C ZINC000175081301 1427536134 /nfs/dbraw/zinc/53/61/34/1427536134.db2.gz MVJUVXVWNMCXPU-JTQLQIEISA-N -1 3 392.506 3.119 20 0 GGADHM CCCC(CCC)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825242408 1427561772 /nfs/dbraw/zinc/56/17/72/1427561772.db2.gz QJVYHTNNJRZXQY-UHFFFAOYSA-N -1 3 384.528 3.117 20 0 GGADHM CCCC(CCC)C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825242408 1427561776 /nfs/dbraw/zinc/56/17/76/1427561776.db2.gz QJVYHTNNJRZXQY-UHFFFAOYSA-N -1 3 384.528 3.117 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000175132242 1427562869 /nfs/dbraw/zinc/56/28/69/1427562869.db2.gz BKFFZKQDAMCTAG-HNNXBMFYSA-N -1 3 398.507 3.021 20 0 GGADHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000175145902 1427568003 /nfs/dbraw/zinc/56/80/03/1427568003.db2.gz DPOSUDOVDPKZCI-UHFFFAOYSA-N -1 3 379.416 3.060 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccs2)c(Cl)cc1Cl ZINC000175184984 1427588338 /nfs/dbraw/zinc/58/83/38/1427588338.db2.gz BONBESPLSDFHIL-UHFFFAOYSA-N -1 3 380.274 3.320 20 0 GGADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccccn2)c(Cl)cc1Cl ZINC000175189635 1427590937 /nfs/dbraw/zinc/59/09/37/1427590937.db2.gz DDDQNYNSOFQFNK-SECBINFHSA-N -1 3 389.260 3.215 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCS1 ZINC000824984934 1427607042 /nfs/dbraw/zinc/60/70/42/1427607042.db2.gz POVMGONLJDEJRW-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM C[C@@H]1CN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCS1 ZINC000824984934 1427607047 /nfs/dbraw/zinc/60/70/47/1427607047.db2.gz POVMGONLJDEJRW-OAHLLOKOSA-N -1 3 381.505 3.383 20 0 GGADHM CCN1CCN([C@@H]2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])C2)CC1 ZINC000175223915 1427611868 /nfs/dbraw/zinc/61/18/68/1427611868.db2.gz YQSJSRRXYDGJGW-OAHLLOKOSA-N -1 3 387.911 3.051 20 0 GGADHM CCN1CCN([C@H]2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])C2)CC1 ZINC000175223933 1427611935 /nfs/dbraw/zinc/61/19/35/1427611935.db2.gz YQSJSRRXYDGJGW-HNNXBMFYSA-N -1 3 387.911 3.051 20 0 GGADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H](CN2CCOCC2)C1 ZINC000175230921 1427615117 /nfs/dbraw/zinc/61/51/17/1427615117.db2.gz OZQUTEYAVYVUCZ-OAHLLOKOSA-N -1 3 388.895 3.383 20 0 GGADHM Cc1ccc([C@@H](CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)N2CCCC2)o1 ZINC000826283969 1427625402 /nfs/dbraw/zinc/62/54/02/1427625402.db2.gz GOSYINCYGUTTNL-KBXCAEBGSA-N -1 3 384.459 3.395 20 0 GGADHM Cc1ccc([C@@H](CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)N2CCCC2)o1 ZINC000826283969 1427625404 /nfs/dbraw/zinc/62/54/04/1427625404.db2.gz GOSYINCYGUTTNL-KBXCAEBGSA-N -1 3 384.459 3.395 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736269987 1427653920 /nfs/dbraw/zinc/65/39/20/1427653920.db2.gz IBBUEXZYXOBVPF-OXQOHEQNSA-N -1 3 385.512 3.305 20 0 GGADHM C[C@@H]1CCCC[C@H]1OCCN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736269987 1427653924 /nfs/dbraw/zinc/65/39/24/1427653924.db2.gz IBBUEXZYXOBVPF-OXQOHEQNSA-N -1 3 385.512 3.305 20 0 GGADHM CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccccc2[O-])c2ccccc2)c1 ZINC000175334730 1427686683 /nfs/dbraw/zinc/68/66/83/1427686683.db2.gz OPLUAYWFHHKXTA-FQEVSTJZSA-N -1 3 381.453 3.315 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccco1 ZINC000175352675 1427699851 /nfs/dbraw/zinc/69/98/51/1427699851.db2.gz PUNOJLGAZDFKTM-MRXNPFEDSA-N -1 3 399.415 3.475 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1sccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000825139128 1427704550 /nfs/dbraw/zinc/70/45/50/1427704550.db2.gz CBKGJKHLSHKDER-CQSZACIVSA-N -1 3 392.435 3.276 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1sccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825139128 1427704556 /nfs/dbraw/zinc/70/45/56/1427704556.db2.gz CBKGJKHLSHKDER-CQSZACIVSA-N -1 3 392.435 3.276 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824324805 1427731136 /nfs/dbraw/zinc/73/11/36/1427731136.db2.gz VZWGZPHYHPFRFB-YJYMSZOUSA-N -1 3 385.443 3.177 20 0 GGADHM CC(C)Oc1ccc([C@@H](O)CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824324805 1427731141 /nfs/dbraw/zinc/73/11/41/1427731141.db2.gz VZWGZPHYHPFRFB-YJYMSZOUSA-N -1 3 385.443 3.177 20 0 GGADHM Cc1ccc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(N2CCCC2)n1 ZINC000826288736 1427746057 /nfs/dbraw/zinc/74/60/57/1427746057.db2.gz UTVIKWMFFNOIKT-FQEVSTJZSA-N -1 3 389.507 3.338 20 0 GGADHM Cc1ccc(CN[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(N2CCCC2)n1 ZINC000826288736 1427746060 /nfs/dbraw/zinc/74/60/60/1427746060.db2.gz UTVIKWMFFNOIKT-FQEVSTJZSA-N -1 3 389.507 3.338 20 0 GGADHM CCN1CCN(Cc2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000825460478 1427762395 /nfs/dbraw/zinc/76/23/95/1427762395.db2.gz YFQGOWKCAOCLHW-KRWDZBQOSA-N -1 3 391.523 3.177 20 0 GGADHM C[C@@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824553926 1427763178 /nfs/dbraw/zinc/76/31/78/1427763178.db2.gz KQSADOJKENNIPX-ACJLOTCBSA-N -1 3 398.536 3.482 20 0 GGADHM C[C@@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824553926 1427763184 /nfs/dbraw/zinc/76/31/84/1427763184.db2.gz KQSADOJKENNIPX-ACJLOTCBSA-N -1 3 398.536 3.482 20 0 GGADHM Cc1cc(CCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)s1 ZINC000175534929 1427806884 /nfs/dbraw/zinc/80/68/84/1427806884.db2.gz XMVFRTPFPYNNDV-UHFFFAOYSA-N -1 3 386.517 3.378 20 0 GGADHM O=C(CCN1CC[C@@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822964410 1427808720 /nfs/dbraw/zinc/80/87/20/1427808720.db2.gz IFBAHMYNKZQUHW-QGZVFWFLSA-N -1 3 382.855 3.296 20 0 GGADHM c1cc(OCC2CC2)ncc1CN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517963 1427817826 /nfs/dbraw/zinc/81/78/26/1427817826.db2.gz WUFZOYQRRPXMSV-IBGZPJMESA-N -1 3 376.464 3.218 20 0 GGADHM c1cc(OCC2CC2)ncc1CN[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517963 1427817828 /nfs/dbraw/zinc/81/78/28/1427817828.db2.gz WUFZOYQRRPXMSV-IBGZPJMESA-N -1 3 376.464 3.218 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c(C)o1 ZINC000175588814 1427823642 /nfs/dbraw/zinc/82/36/42/1427823642.db2.gz HNJFFZYOYHYQPB-ABAIWWIYSA-N -1 3 392.477 3.017 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c(C)o1 ZINC000175673759 1427852405 /nfs/dbraw/zinc/85/24/05/1427852405.db2.gz LXECCSWVISREMQ-GOSISDBHSA-N -1 3 394.468 3.297 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1F ZINC000175691408 1427859882 /nfs/dbraw/zinc/85/98/82/1427859882.db2.gz CJHLPCBLGZTVDN-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000175691494 1427859965 /nfs/dbraw/zinc/85/99/65/1427859965.db2.gz SPIJZQVCTGCCTN-UHFFFAOYSA-N -1 3 377.224 3.293 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)c3ccccc32)ccc1F ZINC000175692546 1427860471 /nfs/dbraw/zinc/86/04/71/1427860471.db2.gz YPXNVKKJEABWSU-UHFFFAOYSA-N -1 3 388.464 3.206 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1F ZINC000175697467 1427862221 /nfs/dbraw/zinc/86/22/21/1427862221.db2.gz VOHWTJLTTLCISR-UHFFFAOYSA-N -1 3 384.432 3.238 20 0 GGADHM CCN(c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1)C(C)C ZINC000175701777 1427863743 /nfs/dbraw/zinc/86/37/43/1427863743.db2.gz ILXCBFODCCTFPS-UHFFFAOYSA-N -1 3 393.484 3.221 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1nc(Cc2ccccc2)no1 ZINC000175706355 1427865480 /nfs/dbraw/zinc/86/54/80/1427865480.db2.gz UVPVMSRIXLDOLP-AWEZNQCLSA-N -1 3 394.456 3.248 20 0 GGADHM C[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1nc(Cc2ccccc2)no1 ZINC000175709882 1427866440 /nfs/dbraw/zinc/86/64/40/1427866440.db2.gz ITJWGTKUKKHVJO-AWEZNQCLSA-N -1 3 394.456 3.248 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000175718321 1427868894 /nfs/dbraw/zinc/86/88/94/1427868894.db2.gz CMQXJENUYNEPHB-INIZCTEOSA-N -1 3 396.871 3.365 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(c3ccccc3)CC2)ccc1F ZINC000175719470 1427869103 /nfs/dbraw/zinc/86/91/03/1427869103.db2.gz ODZATNZIIARRSZ-UHFFFAOYSA-N -1 3 390.480 3.190 20 0 GGADHM CCCN(Cc1ccc(C)cc1)C(=O)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825322930 1427873318 /nfs/dbraw/zinc/87/33/18/1427873318.db2.gz LVSSCYGXYGHFQD-QGZVFWFLSA-N -1 3 392.507 3.265 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCCc3ccccc3C)[n-]c(=O)c12 ZINC000175744833 1427877199 /nfs/dbraw/zinc/87/71/99/1427877199.db2.gz JOQOVYDIOGVABA-UHFFFAOYSA-N -1 3 383.473 3.446 20 0 GGADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000736899446 1427890048 /nfs/dbraw/zinc/89/00/48/1427890048.db2.gz AFDQPRQBPPECOS-QSFXBCCZSA-N -1 3 391.475 3.267 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2cccc(F)c2)c(F)cc1F ZINC000175781163 1427890580 /nfs/dbraw/zinc/89/05/80/1427890580.db2.gz XHSYYUKFWAYVEE-QGZVFWFLSA-N -1 3 395.406 3.214 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c(F)cc1F ZINC000175784652 1427892040 /nfs/dbraw/zinc/89/20/40/1427892040.db2.gz WTPWDDSOXWPWPP-UHFFFAOYSA-N -1 3 381.444 3.300 20 0 GGADHM O=C(NCc1nccn1CCCc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000175804505 1427899362 /nfs/dbraw/zinc/89/93/62/1427899362.db2.gz JXUPMTGUCOYZHC-UHFFFAOYSA-N -1 3 382.439 3.360 20 0 GGADHM O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1nn(-c2ccccc2)cc1[O-] ZINC000175805290 1427899847 /nfs/dbraw/zinc/89/98/47/1427899847.db2.gz YIJVWKAITONBPB-INIZCTEOSA-N -1 3 396.516 3.281 20 0 GGADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(F)cc2nccnc21 ZINC000175828561 1427915117 /nfs/dbraw/zinc/91/51/17/1427915117.db2.gz IAJLGZCAKMURBP-UHFFFAOYSA-N -1 3 382.786 3.314 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2scnc2-c2ccccc2)ccc1F ZINC000175856265 1427935512 /nfs/dbraw/zinc/93/55/12/1427935512.db2.gz LQQBVOCXMCPXSQ-UHFFFAOYSA-N -1 3 391.449 3.110 20 0 GGADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@H](C)c1cc2ccccc2o1 ZINC000175862144 1427939087 /nfs/dbraw/zinc/93/90/87/1427939087.db2.gz OPQLHTKVCDZAMM-GFCCVEGCSA-N -1 3 390.461 3.466 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C(C)C)sc3c2)c(C)o1 ZINC000175884935 1427951539 /nfs/dbraw/zinc/95/15/39/1427951539.db2.gz UAXMAZDDVGGBJT-UHFFFAOYSA-N -1 3 393.490 3.482 20 0 GGADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@H](C)c1ccccc1 ZINC000175898794 1427959150 /nfs/dbraw/zinc/95/91/50/1427959150.db2.gz RXOZNIHICNGHJU-CQSZACIVSA-N -1 3 378.494 3.500 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)c3c2cccc3F)c(C)o1 ZINC000175922492 1427973473 /nfs/dbraw/zinc/97/34/73/1427973473.db2.gz YGUICPZMWXMBIY-UHFFFAOYSA-N -1 3 392.452 3.107 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3cccc(C)c3)CCCC2)c(C)o1 ZINC000175953167 1427993779 /nfs/dbraw/zinc/99/37/79/1427993779.db2.gz LUZTXBZHYUGNLS-UHFFFAOYSA-N -1 3 390.505 3.046 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1ccccc1)C1CCOCC1 ZINC000826170324 1428072730 /nfs/dbraw/zinc/07/27/30/1428072730.db2.gz WTFXRWSOHDVWEJ-HXUWFJFHSA-N -1 3 379.464 3.133 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccccc1)C1CCOCC1 ZINC000826170324 1428072737 /nfs/dbraw/zinc/07/27/37/1428072737.db2.gz WTFXRWSOHDVWEJ-HXUWFJFHSA-N -1 3 379.464 3.133 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2nc3ccccc3o2)[C@H](C)C1 ZINC000736199481 1428101115 /nfs/dbraw/zinc/10/11/15/1428101115.db2.gz POMMVUDCFFGLLB-HUUCEWRRSA-N -1 3 389.463 3.280 20 0 GGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2nc3ccccc3o2)[C@H](C)C1 ZINC000736199481 1428101119 /nfs/dbraw/zinc/10/11/19/1428101119.db2.gz POMMVUDCFFGLLB-HUUCEWRRSA-N -1 3 389.463 3.280 20 0 GGADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176135387 1428109508 /nfs/dbraw/zinc/10/95/08/1428109508.db2.gz DVAGKAUGGBJDPV-MRXNPFEDSA-N -1 3 394.493 3.409 20 0 GGADHM O=C(CC[C@@H]1CCOC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176168326 1428134449 /nfs/dbraw/zinc/13/44/49/1428134449.db2.gz BNGUXWGTTNBPHC-CYBMUJFWSA-N -1 3 380.872 3.039 20 0 GGADHM CCc1ccc([C@H]2CCCCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176169663 1428135654 /nfs/dbraw/zinc/13/56/54/1428135654.db2.gz MGPVADYUASRCOR-OAHLLOKOSA-N -1 3 380.466 3.019 20 0 GGADHM O=C1[C@@H](N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCN1c1ccccc1 ZINC000826477098 1428136688 /nfs/dbraw/zinc/13/66/88/1428136688.db2.gz VOYNDPRBXKDAGV-UXHICEINSA-N -1 3 388.475 3.029 20 0 GGADHM O=C1[C@@H](N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCN1c1ccccc1 ZINC000826477098 1428136696 /nfs/dbraw/zinc/13/66/96/1428136696.db2.gz VOYNDPRBXKDAGV-UXHICEINSA-N -1 3 388.475 3.029 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC(=O)N(CCc4ccccc4)C3)n[n-]2)o1 ZINC000176173537 1428138762 /nfs/dbraw/zinc/13/87/62/1428138762.db2.gz ANKZWMFQNGAWDQ-QGZVFWFLSA-N -1 3 393.443 3.226 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC(=O)N(CCc4ccccc4)C3)[n-]n2)o1 ZINC000176173537 1428138770 /nfs/dbraw/zinc/13/87/70/1428138770.db2.gz ANKZWMFQNGAWDQ-QGZVFWFLSA-N -1 3 393.443 3.226 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC(=O)N(CCc4ccccc4)C3)n[n-]2)o1 ZINC000176173548 1428138877 /nfs/dbraw/zinc/13/88/77/1428138877.db2.gz ANKZWMFQNGAWDQ-KRWDZBQOSA-N -1 3 393.443 3.226 20 0 GGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC(=O)N(CCc4ccccc4)C3)[n-]n2)o1 ZINC000176173548 1428138882 /nfs/dbraw/zinc/13/88/82/1428138882.db2.gz ANKZWMFQNGAWDQ-KRWDZBQOSA-N -1 3 393.443 3.226 20 0 GGADHM C[C@H](NCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC000824618680 1428146507 /nfs/dbraw/zinc/14/65/07/1428146507.db2.gz QXLVHFBOQRXPFV-AWEZNQCLSA-N -1 3 375.436 3.020 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c(C)o1 ZINC000176183412 1428147359 /nfs/dbraw/zinc/14/73/59/1428147359.db2.gz DTAQABNCQPVBJR-RMLVOYDJSA-N -1 3 396.896 3.277 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c(C)o1 ZINC000176206154 1428166520 /nfs/dbraw/zinc/16/65/20/1428166520.db2.gz HCVBSGMPQFDHFM-IAQYHMDHSA-N -1 3 380.466 3.011 20 0 GGADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)o1 ZINC000176206255 1428167007 /nfs/dbraw/zinc/16/70/07/1428167007.db2.gz CEVOGUAJZGPLFG-WBMJQRKESA-N -1 3 394.493 3.265 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCCC(C)C)cc2)c(C)o1 ZINC000176211460 1428169726 /nfs/dbraw/zinc/16/97/26/1428169726.db2.gz WCPKNYOKPQWZDO-UHFFFAOYSA-N -1 3 380.466 3.173 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c(C)o1 ZINC000176212517 1428171699 /nfs/dbraw/zinc/17/16/99/1428171699.db2.gz NCIOKAPALSENSW-ZDUSSCGKSA-N -1 3 399.472 3.049 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C)o1 ZINC000176220776 1428175590 /nfs/dbraw/zinc/17/55/90/1428175590.db2.gz QNYYASHQQUESBF-NEPJUHHUSA-N -1 3 398.912 3.414 20 0 GGADHM C[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)cs2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824948697 1429811466 /nfs/dbraw/zinc/81/14/66/1429811466.db2.gz VAJADYTYGZTUKS-IUODEOHRSA-N -1 3 392.529 3.053 20 0 GGADHM C[C@@H]1CCCN(Cc2cc(-c3nnn[n-]3)cs2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824948697 1429811477 /nfs/dbraw/zinc/81/14/77/1429811477.db2.gz VAJADYTYGZTUKS-IUODEOHRSA-N -1 3 392.529 3.053 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000738387994 1429840837 /nfs/dbraw/zinc/84/08/37/1429840837.db2.gz RATLGFNAOXEKBL-LJQANCHMSA-N -1 3 385.418 3.091 20 0 GGADHM O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738387994 1429840848 /nfs/dbraw/zinc/84/08/48/1429840848.db2.gz RATLGFNAOXEKBL-LJQANCHMSA-N -1 3 385.418 3.091 20 0 GGADHM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000180348846 1429842337 /nfs/dbraw/zinc/84/23/37/1429842337.db2.gz SYPAJGJTEHAOSN-FQEVSTJZSA-N -1 3 388.423 3.237 20 0 GGADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821618925 1429850266 /nfs/dbraw/zinc/85/02/66/1429850266.db2.gz BPBSEXDNWWNAMX-INIZCTEOSA-N -1 3 383.887 3.016 20 0 GGADHM FC(F)Oc1ccc(Cl)cc1CNCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822731934 1429881097 /nfs/dbraw/zinc/88/10/97/1429881097.db2.gz FJAMMQBOSLOCOQ-UHFFFAOYSA-N -1 3 395.797 3.290 20 0 GGADHM FC(F)Oc1ccc(Cl)cc1CNCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822731934 1429881102 /nfs/dbraw/zinc/88/11/02/1429881102.db2.gz FJAMMQBOSLOCOQ-UHFFFAOYSA-N -1 3 395.797 3.290 20 0 GGADHM Cc1cccc(S(=O)(=O)[N-]c2cccn(Cc3ccc(F)cc3)c2=O)c1F ZINC000180517775 1429887674 /nfs/dbraw/zinc/88/76/74/1429887674.db2.gz ZCRIFUBEFOSQGZ-UHFFFAOYSA-N -1 3 390.411 3.284 20 0 GGADHM C[C@H](N[C@@H](CO)c1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824531062 1429907471 /nfs/dbraw/zinc/90/74/71/1429907471.db2.gz OGRZVINBBPTPFK-ZBEGNZNMSA-N -1 3 388.269 3.013 20 0 GGADHM C[C@H](N[C@@H](CO)c1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824531062 1429907472 /nfs/dbraw/zinc/90/74/72/1429907472.db2.gz OGRZVINBBPTPFK-ZBEGNZNMSA-N -1 3 388.269 3.013 20 0 GGADHM CCS[C@H]1CC[C@@H](N(C)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000821447821 1429924251 /nfs/dbraw/zinc/92/42/51/1429924251.db2.gz LGTSPRBTBAZHCO-SJORKVTESA-N -1 3 383.525 3.294 20 0 GGADHM CCS[C@H]1CC[C@@H](N(C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447821 1429924253 /nfs/dbraw/zinc/92/42/53/1429924253.db2.gz LGTSPRBTBAZHCO-SJORKVTESA-N -1 3 383.525 3.294 20 0 GGADHM O=C([N-]CCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1)C(F)(F)F ZINC000180608545 1429931684 /nfs/dbraw/zinc/93/16/84/1429931684.db2.gz FFOMCNMRSBVXDB-CQSZACIVSA-N -1 3 382.386 3.332 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529862 1429950362 /nfs/dbraw/zinc/95/03/62/1429950362.db2.gz IHKSOXJTFUGERI-CHWSQXEVSA-N -1 3 396.426 3.374 20 0 GGADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529862 1429950364 /nfs/dbraw/zinc/95/03/64/1429950364.db2.gz IHKSOXJTFUGERI-CHWSQXEVSA-N -1 3 396.426 3.374 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000180644450 1429951911 /nfs/dbraw/zinc/95/19/11/1429951911.db2.gz DLPWAKOGGYAFCL-UHFFFAOYSA-N -1 3 384.461 3.257 20 0 GGADHM C[C@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000824564139 1429955584 /nfs/dbraw/zinc/95/55/84/1429955584.db2.gz SKFNXPYQCHBBDP-HNNXBMFYSA-N -1 3 399.458 3.218 20 0 GGADHM C[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824617235 1429982454 /nfs/dbraw/zinc/98/24/54/1429982454.db2.gz FPNHHZRCGUCCAY-INIZCTEOSA-N -1 3 390.491 3.344 20 0 GGADHM C[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824617235 1429982456 /nfs/dbraw/zinc/98/24/56/1429982456.db2.gz FPNHHZRCGUCCAY-INIZCTEOSA-N -1 3 390.491 3.344 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCCC2(C)C)c1-c1nn[n-]n1 ZINC000737202891 1429984575 /nfs/dbraw/zinc/98/45/75/1429984575.db2.gz PQQVDCRSGLOSOL-UHFFFAOYSA-N -1 3 385.516 3.213 20 0 GGADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCCC2(C)C)c1-c1nnn[n-]1 ZINC000737202891 1429984576 /nfs/dbraw/zinc/98/45/76/1429984576.db2.gz PQQVDCRSGLOSOL-UHFFFAOYSA-N -1 3 385.516 3.213 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180728746 1430003686 /nfs/dbraw/zinc/00/36/86/1430003686.db2.gz DPGOYVYRUZKHPW-SJORKVTESA-N -1 3 389.370 3.193 20 0 GGADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180728727 1430003773 /nfs/dbraw/zinc/00/37/73/1430003773.db2.gz DPGOYVYRUZKHPW-DLBZAZTESA-N -1 3 389.370 3.193 20 0 GGADHM Cc1ccc(S(=O)(=O)CCCO[N-]C(=O)CCCc2ccccc2)cc1 ZINC000180742477 1430011915 /nfs/dbraw/zinc/01/19/15/1430011915.db2.gz KVNUJASTJYLFSI-UHFFFAOYSA-N -1 3 375.490 3.230 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(F)cc1F ZINC000180743708 1430012881 /nfs/dbraw/zinc/01/28/81/1430012881.db2.gz WQMSQCJEYZKNDO-WBVHZDCISA-N -1 3 389.370 3.360 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(F)cc1F ZINC000180743672 1430012894 /nfs/dbraw/zinc/01/28/94/1430012894.db2.gz WQMSQCJEYZKNDO-NVXWUHKLSA-N -1 3 389.370 3.360 20 0 GGADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000180744206 1430013384 /nfs/dbraw/zinc/01/33/84/1430013384.db2.gz VROZYEXKQQMBSM-RDJZCZTQSA-N -1 3 389.370 3.360 20 0 GGADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1O ZINC000180757702 1430021841 /nfs/dbraw/zinc/02/18/41/1430021841.db2.gz ZRFHXEXFJGSKBD-UHFFFAOYSA-N -1 3 388.367 3.343 20 0 GGADHM Cc1ccc(N2CCC[C@H](N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000822241067 1430055685 /nfs/dbraw/zinc/05/56/85/1430055685.db2.gz KCPYBWCCNDVLNX-BEFAXECRSA-N -1 3 376.464 3.021 20 0 GGADHM Cc1ccc(N2CCC[C@H](N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000822241067 1430055691 /nfs/dbraw/zinc/05/56/91/1430055691.db2.gz KCPYBWCCNDVLNX-BEFAXECRSA-N -1 3 376.464 3.021 20 0 GGADHM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1c([O-])cccc1O ZINC000180840925 1430065808 /nfs/dbraw/zinc/06/58/08/1430065808.db2.gz AKTZCOHSGKYLDE-UHFFFAOYSA-N -1 3 381.457 3.365 20 0 GGADHM O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000180846907 1430067993 /nfs/dbraw/zinc/06/79/93/1430067993.db2.gz AXPRHIGNWDQRRG-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c([O-])cccc1O ZINC000180849670 1430069252 /nfs/dbraw/zinc/06/92/52/1430069252.db2.gz RQIPCTQFQLCVRI-UHFFFAOYSA-N -1 3 377.322 3.232 20 0 GGADHM O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1c([O-])cccc1O ZINC000180850949 1430069382 /nfs/dbraw/zinc/06/93/82/1430069382.db2.gz BRFILWFETLXROY-UHFFFAOYSA-N -1 3 380.375 3.419 20 0 GGADHM O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000180853744 1430071059 /nfs/dbraw/zinc/07/10/59/1430071059.db2.gz MGVIQUQMBFXUGI-UHFFFAOYSA-N -1 3 392.814 3.381 20 0 GGADHM C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820684484 1430082837 /nfs/dbraw/zinc/08/28/37/1430082837.db2.gz QHIJEBQNJIDPGZ-KBPBESRZSA-N -1 3 396.520 3.084 20 0 GGADHM C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820684484 1430082842 /nfs/dbraw/zinc/08/28/42/1430082842.db2.gz QHIJEBQNJIDPGZ-KBPBESRZSA-N -1 3 396.520 3.084 20 0 GGADHM C[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824572136 1430098751 /nfs/dbraw/zinc/09/87/51/1430098751.db2.gz SZMMKTKAWDHLEX-FVMDXXJSSA-N -1 3 379.798 3.183 20 0 GGADHM C[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572136 1430098756 /nfs/dbraw/zinc/09/87/56/1430098756.db2.gz SZMMKTKAWDHLEX-FVMDXXJSSA-N -1 3 379.798 3.183 20 0 GGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000736197285 1430108389 /nfs/dbraw/zinc/10/83/89/1430108389.db2.gz MQTACLFDMPXWRK-MRXNPFEDSA-N -1 3 392.463 3.134 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000736197285 1430108397 /nfs/dbraw/zinc/10/83/97/1430108397.db2.gz MQTACLFDMPXWRK-MRXNPFEDSA-N -1 3 392.463 3.134 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)[n-]n1 ZINC000180927389 1430119048 /nfs/dbraw/zinc/11/90/48/1430119048.db2.gz CCHFLLGEEQHKTB-UHFFFAOYSA-N -1 3 385.399 3.287 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)n[n-]1 ZINC000180927389 1430119056 /nfs/dbraw/zinc/11/90/56/1430119056.db2.gz CCHFLLGEEQHKTB-UHFFFAOYSA-N -1 3 385.399 3.287 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)[n-]n1 ZINC000180930921 1430121571 /nfs/dbraw/zinc/12/15/71/1430121571.db2.gz SOKKJPIAEGYBAI-CYBMUJFWSA-N -1 3 394.431 3.383 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)n[n-]1 ZINC000180930921 1430121574 /nfs/dbraw/zinc/12/15/74/1430121574.db2.gz SOKKJPIAEGYBAI-CYBMUJFWSA-N -1 3 394.431 3.383 20 0 GGADHM C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000824545405 1430125398 /nfs/dbraw/zinc/12/53/98/1430125398.db2.gz CGUNUVMEROOXJD-UGSOOPFHSA-N -1 3 396.882 3.366 20 0 GGADHM C[C@H](N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000824545405 1430125401 /nfs/dbraw/zinc/12/54/01/1430125401.db2.gz CGUNUVMEROOXJD-UGSOOPFHSA-N -1 3 396.882 3.366 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)[n-]n1 ZINC000180942032 1430126853 /nfs/dbraw/zinc/12/68/53/1430126853.db2.gz OXPVNJOFXWWZTB-UHFFFAOYSA-N -1 3 381.436 3.322 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)n[n-]1 ZINC000180942032 1430126855 /nfs/dbraw/zinc/12/68/55/1430126855.db2.gz OXPVNJOFXWWZTB-UHFFFAOYSA-N -1 3 381.436 3.322 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cc(OC)c1[O-] ZINC000180946827 1430129312 /nfs/dbraw/zinc/12/93/12/1430129312.db2.gz BAEBWVOIBSCKNK-AWEZNQCLSA-N -1 3 376.840 3.072 20 0 GGADHM Cc1c2cc(Br)ccc2oc(=O)c1C(=O)Nc1ncccc1[O-] ZINC000180993279 1430156999 /nfs/dbraw/zinc/15/69/99/1430156999.db2.gz LMNUBTRVSNNVNI-UHFFFAOYSA-N -1 3 375.178 3.217 20 0 GGADHM Cc1ccc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)cc1O ZINC000181040684 1430181428 /nfs/dbraw/zinc/18/14/28/1430181428.db2.gz AVXODTAUMYFGNH-UHFFFAOYSA-N -1 3 383.629 3.191 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1OC ZINC000181074842 1430199749 /nfs/dbraw/zinc/19/97/49/1430199749.db2.gz VHSVKMWOIGLGDJ-UHFFFAOYSA-N -1 3 390.505 3.476 20 0 GGADHM CCCN1C(=O)CCc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc21 ZINC000181106661 1430212392 /nfs/dbraw/zinc/21/23/92/1430212392.db2.gz TWDRSVPGMNGYHJ-UHFFFAOYSA-N -1 3 375.428 3.470 20 0 GGADHM Cc1ccc2[nH]c([C@@H]3CCCN(CC(=O)[N-]OCc4ccccc4)C3)nc2c1 ZINC000181163721 1430233341 /nfs/dbraw/zinc/23/33/41/1430233341.db2.gz NZPJLLUMVRXUFH-GOSISDBHSA-N -1 3 378.476 3.299 20 0 GGADHM Cc1ccc2nc([C@@H]3CCCN(CC(=O)[N-]OCc4ccccc4)C3)[nH]c2c1 ZINC000181163721 1430233346 /nfs/dbraw/zinc/23/33/46/1430233346.db2.gz NZPJLLUMVRXUFH-GOSISDBHSA-N -1 3 378.476 3.299 20 0 GGADHM CCN(CC)C(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825406367 1430234262 /nfs/dbraw/zinc/23/42/62/1430234262.db2.gz LZUGHZZXGSCPOF-HNNXBMFYSA-N -1 3 378.480 3.053 20 0 GGADHM CCN(CC)C(=O)CN[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825406367 1430234266 /nfs/dbraw/zinc/23/42/66/1430234266.db2.gz LZUGHZZXGSCPOF-HNNXBMFYSA-N -1 3 378.480 3.053 20 0 GGADHM CCc1ccnc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000181246219 1430255953 /nfs/dbraw/zinc/25/59/53/1430255953.db2.gz LWYVWPALQFGBPJ-UHFFFAOYSA-N -1 3 387.383 3.287 20 0 GGADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000181319478 1430271975 /nfs/dbraw/zinc/27/19/75/1430271975.db2.gz BMLWIWQTORXPED-JTQLQIEISA-N -1 3 391.349 3.342 20 0 GGADHM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1cccc(N2CCCC2=O)c1 ZINC000181420308 1430294117 /nfs/dbraw/zinc/29/41/17/1430294117.db2.gz VAFQKEQAZGBBDU-CQSZACIVSA-N -1 3 378.428 3.476 20 0 GGADHM CN(Cc1ccccc1)Cc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000181482676 1430307939 /nfs/dbraw/zinc/30/79/39/1430307939.db2.gz FRMXAGHMCOKTTN-OAQYLSRUSA-N -1 3 375.472 3.263 20 0 GGADHM O=C(CCCC[N-]S(=O)(=O)c1ccc(F)cc1F)OCc1ccccc1 ZINC000181522692 1430314900 /nfs/dbraw/zinc/31/49/00/1430314900.db2.gz DKNQSPJRDJLVON-UHFFFAOYSA-N -1 3 383.416 3.157 20 0 GGADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000181614999 1430328506 /nfs/dbraw/zinc/32/85/06/1430328506.db2.gz FZIDEMZTRQZGAW-QMMMGPOBSA-N -1 3 382.346 3.183 20 0 GGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1F ZINC000181671860 1430339228 /nfs/dbraw/zinc/33/92/28/1430339228.db2.gz BNEVZSQDMYJAKD-UHFFFAOYSA-N -1 3 388.367 3.229 20 0 GGADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc2N1 ZINC000181674639 1430339648 /nfs/dbraw/zinc/33/96/48/1430339648.db2.gz FTGFDFOAWWVZAX-UHFFFAOYSA-N -1 3 382.388 3.016 20 0 GGADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181676128 1430340053 /nfs/dbraw/zinc/34/00/53/1430340053.db2.gz UYZQGOBHLCOYQN-UHFFFAOYSA-N -1 3 384.404 3.398 20 0 GGADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1C ZINC000181677479 1430340206 /nfs/dbraw/zinc/34/02/06/1430340206.db2.gz DKVLNLJLJQWIJA-UHFFFAOYSA-N -1 3 384.404 3.398 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181706107 1430344434 /nfs/dbraw/zinc/34/44/34/1430344434.db2.gz UBZFMILBXHFPTN-GFCCVEGCSA-N -1 3 381.810 3.402 20 0 GGADHM O=S(=O)([N-]Cc1nccn1CCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000181720707 1430347030 /nfs/dbraw/zinc/34/70/30/1430347030.db2.gz PWMOOXBDIUCFFS-UHFFFAOYSA-N -1 3 395.406 3.022 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]Cc2nccn2CCc2ccccc2)c(F)cc1F ZINC000181722148 1430347545 /nfs/dbraw/zinc/34/75/45/1430347545.db2.gz GVOYJZAQQMVZKU-UHFFFAOYSA-N -1 3 391.443 3.191 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)[n-]n1 ZINC000181752137 1430352653 /nfs/dbraw/zinc/35/26/53/1430352653.db2.gz MRDJJTQVZUWVMX-UHFFFAOYSA-N -1 3 383.408 3.376 20 0 GGADHM CCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)n[n-]1 ZINC000181752137 1430352654 /nfs/dbraw/zinc/35/26/54/1430352654.db2.gz MRDJJTQVZUWVMX-UHFFFAOYSA-N -1 3 383.408 3.376 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(CO)c1 ZINC000181778808 1430357978 /nfs/dbraw/zinc/35/79/78/1430357978.db2.gz NDGRKGYAYCYEPV-OAQYLSRUSA-N -1 3 390.439 3.384 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)n[n-]2)o1 ZINC000181878772 1430376541 /nfs/dbraw/zinc/37/65/41/1430376541.db2.gz AYYANSGGUCVRSL-MRXNPFEDSA-N -1 3 381.436 3.075 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3COC3CCOCC3)n[n-]2)o1 ZINC000181886891 1430377810 /nfs/dbraw/zinc/37/78/10/1430377810.db2.gz VJLOCIOYPOGPDB-UHFFFAOYSA-N -1 3 382.420 3.321 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)n[n-]2)o1 ZINC000181888416 1430378383 /nfs/dbraw/zinc/37/83/83/1430378383.db2.gz XEYIMEKKVMLJRC-NRFANRHFSA-N -1 3 393.447 3.254 20 0 GGADHM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181934695 1430385630 /nfs/dbraw/zinc/38/56/30/1430385630.db2.gz JATXVLGHPCZFQJ-UHFFFAOYSA-N -1 3 387.443 3.220 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCCCc3ccc(C)cc3)[n-]c(=O)c12 ZINC000182008935 1430395338 /nfs/dbraw/zinc/39/53/38/1430395338.db2.gz PIKZSCAGCPWDSH-UHFFFAOYSA-N -1 3 383.473 3.446 20 0 GGADHM COc1cccc([C@@H]2[C@@H](C(=O)Nc3cccc([O-])c3F)CC(=O)N2C2CC2)c1 ZINC000182079139 1430407585 /nfs/dbraw/zinc/40/75/85/1430407585.db2.gz RZPMVUVPACXYMZ-MGPUTAFESA-N -1 3 384.407 3.231 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000182137741 1430418286 /nfs/dbraw/zinc/41/82/86/1430418286.db2.gz RLHPEUSYDMBZAQ-UHFFFAOYSA-N -1 3 386.814 3.138 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000182160700 1430422425 /nfs/dbraw/zinc/42/24/25/1430422425.db2.gz GUKFMEZFFTWOEC-UHFFFAOYSA-N -1 3 395.242 3.003 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)nc21 ZINC000182163447 1430422836 /nfs/dbraw/zinc/42/28/36/1430422836.db2.gz UWSWXPUUDNBYJY-UHFFFAOYSA-N -1 3 393.378 3.235 20 0 GGADHM CCCc1c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1cccc(F)c1 ZINC000182165812 1430423319 /nfs/dbraw/zinc/42/33/19/1430423319.db2.gz LMHOCCJAKNXPFI-UHFFFAOYSA-N -1 3 392.390 3.100 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000182284070 1430442349 /nfs/dbraw/zinc/44/23/49/1430442349.db2.gz GBSSWTRVWWCATF-ZDUSSCGKSA-N -1 3 383.379 3.307 20 0 GGADHM CN(C)c1cccc(C(=O)N[N-]C(=O)c2cccc(Br)c2Cl)c1 ZINC000182376422 1430455333 /nfs/dbraw/zinc/45/53/33/1430455333.db2.gz CXVHHXUVTMDCSG-UHFFFAOYSA-N -1 3 396.672 3.243 20 0 GGADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c2ccccc12 ZINC000182413659 1430463376 /nfs/dbraw/zinc/46/33/76/1430463376.db2.gz ZLDDYIJBVXKWKS-UHFFFAOYSA-N -1 3 388.420 3.230 20 0 GGADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000182434138 1430467397 /nfs/dbraw/zinc/46/73/97/1430467397.db2.gz JEDBVMKXJGVMHK-HXUWFJFHSA-N -1 3 375.428 3.311 20 0 GGADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)ccc2[nH]1 ZINC000182500629 1430478992 /nfs/dbraw/zinc/47/89/92/1430478992.db2.gz VYVKWRGSJKVIBK-LBPRGKRZSA-N -1 3 384.457 3.215 20 0 GGADHM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(OCC(F)F)cc1 ZINC000182533084 1430485069 /nfs/dbraw/zinc/48/50/69/1430485069.db2.gz VQBHYADTOQOHAW-UHFFFAOYSA-N -1 3 379.388 3.317 20 0 GGADHM CC[C@@H](CSC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000182574474 1430495610 /nfs/dbraw/zinc/49/56/10/1430495610.db2.gz HPQYPDCQXXQCTB-AWEZNQCLSA-N -1 3 396.509 3.498 20 0 GGADHM O=C(Nc1ccc(-c2ncco2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000182610031 1430502214 /nfs/dbraw/zinc/50/22/14/1430502214.db2.gz HTUBZJZFRIXDHG-UHFFFAOYSA-N -1 3 392.415 3.037 20 0 GGADHM O=C([N-]CCCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000182618551 1430503746 /nfs/dbraw/zinc/50/37/46/1430503746.db2.gz GFFMIBXJZYXECL-ZDUSSCGKSA-N -1 3 384.320 3.147 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c(=O)[n-]1 ZINC000182629576 1430505226 /nfs/dbraw/zinc/50/52/26/1430505226.db2.gz GSYKMAFCCUAYCA-UHFFFAOYSA-N -1 3 379.407 3.414 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1[N-]S(C)(=O)=O ZINC000182730349 1430528749 /nfs/dbraw/zinc/52/87/49/1430528749.db2.gz GFEUBEZLCFUWFZ-AWEZNQCLSA-N -1 3 386.477 3.426 20 0 GGADHM CC(=O)c1cccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000182747220 1430532446 /nfs/dbraw/zinc/53/24/46/1430532446.db2.gz WKWGZHRGOCJDQN-UHFFFAOYSA-N -1 3 394.200 3.257 20 0 GGADHM COc1ccc(C)cc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000182784674 1430539518 /nfs/dbraw/zinc/53/95/18/1430539518.db2.gz ANFVVPHDPNJIDT-UHFFFAOYSA-N -1 3 396.216 3.372 20 0 GGADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Br)n1 ZINC000182811112 1430544731 /nfs/dbraw/zinc/54/47/31/1430544731.db2.gz LQFVPSKQKABWOU-UHFFFAOYSA-N -1 3 386.043 3.242 20 0 GGADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccncc1 ZINC000182840653 1430551335 /nfs/dbraw/zinc/55/13/35/1430551335.db2.gz XMDSVAYFIDCHRJ-QGZVFWFLSA-N -1 3 380.404 3.217 20 0 GGADHM O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000182860846 1430555541 /nfs/dbraw/zinc/55/55/41/1430555541.db2.gz XKZMHRSHBKPYFS-UHFFFAOYSA-N -1 3 381.819 3.414 20 0 GGADHM CN(Cc1cccnc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182882356 1430561482 /nfs/dbraw/zinc/56/14/82/1430561482.db2.gz DROKXYLUSDSHDJ-NRFANRHFSA-N -1 3 389.455 3.307 20 0 GGADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCCc2cccc([O-])c21 ZINC000182917201 1430570654 /nfs/dbraw/zinc/57/06/54/1430570654.db2.gz SWDIUSLEEDQVFO-UHFFFAOYSA-N -1 3 375.428 3.357 20 0 GGADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000182976517 1430584099 /nfs/dbraw/zinc/58/40/99/1430584099.db2.gz PDROPLYQZUPVAM-UHFFFAOYSA-N -1 3 392.868 3.234 20 0 GGADHM CCc1nnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000183002405 1430589966 /nfs/dbraw/zinc/58/99/66/1430589966.db2.gz UILQUFZJTHEPAL-INIZCTEOSA-N -1 3 396.472 3.306 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000183065822 1430603341 /nfs/dbraw/zinc/60/33/41/1430603341.db2.gz KTMFXZFKRJJOAZ-CQSZACIVSA-N -1 3 396.413 3.166 20 0 GGADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)oc3C)c(C)c2)CC1 ZINC000183117908 1430619079 /nfs/dbraw/zinc/61/90/79/1430619079.db2.gz NIKRRILPGKPXDP-UHFFFAOYSA-N -1 3 377.510 3.148 20 0 GGADHM CCc1cc2c(CN[C@@H](C[S@@](C)=O)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000183147312 1430629204 /nfs/dbraw/zinc/62/92/04/1430629204.db2.gz JRZGGIJKPQYZJQ-XRHLQHRESA-N -1 3 385.485 3.270 20 0 GGADHM CCc1cc2c(CN[C@H](C[S@@](C)=O)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000183147326 1430629485 /nfs/dbraw/zinc/62/94/85/1430629485.db2.gz JRZGGIJKPQYZJQ-DNOBIOAJSA-N -1 3 385.485 3.270 20 0 GGADHM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)nc1Br ZINC000183153091 1430630961 /nfs/dbraw/zinc/63/09/61/1430630961.db2.gz WFGDTQDLZAOOBV-SNVBAGLBSA-N -1 3 385.221 3.229 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(Br)cc1Cl)Nc1ccc(F)nc1 ZINC000183239952 1430656924 /nfs/dbraw/zinc/65/69/24/1430656924.db2.gz DLPCPYQWORWGRP-UHFFFAOYSA-N -1 3 387.596 3.103 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccn(-c3ccccc3Cl)n2)c([O-])c1 ZINC000183261738 1430662547 /nfs/dbraw/zinc/66/25/47/1430662547.db2.gz FXQFNJHURDGRLN-UHFFFAOYSA-N -1 3 385.811 3.006 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1nccs1 ZINC000183280491 1430668828 /nfs/dbraw/zinc/66/88/28/1430668828.db2.gz VSGPMYWJOHVXGW-QGZVFWFLSA-N -1 3 381.457 3.026 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1 ZINC000183303385 1430673711 /nfs/dbraw/zinc/67/37/11/1430673711.db2.gz MRODXMVFFCHFBL-UHFFFAOYSA-N -1 3 399.447 3.407 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(F)cn1 ZINC000183306114 1430674295 /nfs/dbraw/zinc/67/42/95/1430674295.db2.gz HZMFPKCNFGKJRD-GOSISDBHSA-N -1 3 379.391 3.426 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3cccs3)cs2)c1 ZINC000183307070 1430674801 /nfs/dbraw/zinc/67/48/01/1430674801.db2.gz OGFQOTZTBZSIEM-UHFFFAOYSA-N -1 3 387.486 3.330 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccnn3C(C)C)cs2)c1 ZINC000183323214 1430679043 /nfs/dbraw/zinc/67/90/43/1430679043.db2.gz MUVLPEDXVYXUBH-UHFFFAOYSA-N -1 3 399.476 3.368 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)Cc3ccncc3)cs2)c1 ZINC000183345878 1430683805 /nfs/dbraw/zinc/68/38/05/1430683805.db2.gz ATBGLPZXRSSXLJ-UHFFFAOYSA-N -1 3 396.472 3.006 20 0 GGADHM CCN(C[C@@H]1CCCO1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183367829 1430691872 /nfs/dbraw/zinc/69/18/72/1430691872.db2.gz RGPUUNLEBYQHHR-LEWJYISDSA-N -1 3 396.487 3.281 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3cccc(F)c3)cs2)c1 ZINC000183372383 1430693014 /nfs/dbraw/zinc/69/30/14/1430693014.db2.gz KVJBUNRYUXXHNE-UHFFFAOYSA-N -1 3 399.447 3.407 20 0 GGADHM CN(Cc1cscn1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183412144 1430704792 /nfs/dbraw/zinc/70/47/92/1430704792.db2.gz BVNFEXMMOCHJQP-IBGZPJMESA-N -1 3 395.484 3.369 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(OC)c(O)c3)c2)n1 ZINC000183421962 1430707858 /nfs/dbraw/zinc/70/78/58/1430707858.db2.gz BPTLBWWPJPAYFU-CSKARUKUSA-N -1 3 391.427 3.365 20 0 GGADHM O=C(Cc1ccc(F)cc1)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000183432903 1430710521 /nfs/dbraw/zinc/71/05/21/1430710521.db2.gz JRAUJCBOMXENDK-UHFFFAOYSA-N -1 3 385.620 3.245 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccn(-c4ccc(F)cc4C)n3)nc21 ZINC000183469875 1430719668 /nfs/dbraw/zinc/71/96/68/1430719668.db2.gz QHLSRFOOYLCMET-UHFFFAOYSA-N -1 3 393.378 3.235 20 0 GGADHM Cn1c2ccccc2nc1[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000183486291 1430724820 /nfs/dbraw/zinc/72/48/20/1430724820.db2.gz KJIZASSYTZIYAT-IBGZPJMESA-N -1 3 382.427 3.364 20 0 GGADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183532606 1430736649 /nfs/dbraw/zinc/73/66/49/1430736649.db2.gz ZQZKVEZEUUWDDD-UHFFFAOYSA-N -1 3 388.729 3.041 20 0 GGADHM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000183537635 1430737410 /nfs/dbraw/zinc/73/74/10/1430737410.db2.gz YVSKANRVLQNWJA-OAQYLSRUSA-N -1 3 398.551 3.236 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CCSCC1 ZINC000183560258 1430742022 /nfs/dbraw/zinc/74/20/22/1430742022.db2.gz WVMDOUOCGHMLOA-IBGZPJMESA-N -1 3 384.501 3.265 20 0 GGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000183560956 1430742641 /nfs/dbraw/zinc/74/26/41/1430742641.db2.gz YVNKXLMHCHFRMY-GFCCVEGCSA-N -1 3 383.839 3.045 20 0 GGADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000183560956 1430742645 /nfs/dbraw/zinc/74/26/45/1430742645.db2.gz YVNKXLMHCHFRMY-GFCCVEGCSA-N -1 3 383.839 3.045 20 0 GGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)n[n-]2)o1 ZINC000183573696 1430744802 /nfs/dbraw/zinc/74/48/02/1430744802.db2.gz AZPQRNKMXNCKCW-VIFPVBQESA-N -1 3 396.373 3.491 20 0 GGADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000183599118 1430751398 /nfs/dbraw/zinc/75/13/98/1430751398.db2.gz AJAKUARTSIDSRZ-LBPRGKRZSA-N -1 3 394.830 3.211 20 0 GGADHM Cc1nc2c(s1)[C@H](N(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-])CCC2 ZINC000183604617 1430752625 /nfs/dbraw/zinc/75/26/25/1430752625.db2.gz BZHCAHSCODNVPX-MRXNPFEDSA-N -1 3 387.505 3.121 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CC=CCC3)cs2)c1 ZINC000183607457 1430753345 /nfs/dbraw/zinc/75/33/45/1430753345.db2.gz JYJUSWHKEIFKSB-CQSZACIVSA-N -1 3 385.489 3.424 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cscn1 ZINC000183724665 1430781411 /nfs/dbraw/zinc/78/14/11/1430781411.db2.gz ILXWHHHSXMRLKB-LJQANCHMSA-N -1 3 395.484 3.069 20 0 GGADHM Cc1cc(NC(=O)C(=O)[N-]NC(=O)c2cccc(Cl)c2)ccc1C(F)(F)F ZINC000183731249 1430782995 /nfs/dbraw/zinc/78/29/95/1430782995.db2.gz WJAIROVDYVEVPC-UHFFFAOYSA-N -1 3 399.756 3.067 20 0 GGADHM Cc1c(NC(=O)C(=O)[N-]NC(=O)c2cccc(Cl)c2)cccc1C(F)(F)F ZINC000183738786 1430784348 /nfs/dbraw/zinc/78/43/48/1430784348.db2.gz AVLREHUPNGYUPW-UHFFFAOYSA-N -1 3 399.756 3.067 20 0 GGADHM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000183740227 1430784749 /nfs/dbraw/zinc/78/47/49/1430784749.db2.gz CRQVRCQKJZIQEW-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000183743462 1430785047 /nfs/dbraw/zinc/78/50/47/1430785047.db2.gz CAFNSORFQKKHKY-UHFFFAOYSA-N -1 3 386.622 3.047 20 0 GGADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1Cl ZINC000183776490 1430791455 /nfs/dbraw/zinc/79/14/55/1430791455.db2.gz DJQZCUXXQMMQOB-CQSZACIVSA-N -1 3 395.695 3.228 20 0 GGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1nc(C2CC2)no1 ZINC000183876378 1430807832 /nfs/dbraw/zinc/80/78/32/1430807832.db2.gz RMRLTAXBUMKSRM-QGZVFWFLSA-N -1 3 386.477 3.413 20 0 GGADHM O=C(c1scnc1C1CCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000183909282 1430811980 /nfs/dbraw/zinc/81/19/80/1430811980.db2.gz KKXNKCYIXOHGMD-UHFFFAOYSA-N -1 3 385.489 3.105 20 0 GGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H]4[C@H](C3)C4(C)C)cs2)c1 ZINC000183951544 1430817566 /nfs/dbraw/zinc/81/75/66/1430817566.db2.gz ISSPJENZVLJGNM-GASCZTMLSA-N -1 3 385.489 3.066 20 0 GGADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CS(=O)(=O)c1cccc([O-])c1 ZINC000183975334 1430821446 /nfs/dbraw/zinc/82/14/46/1430821446.db2.gz HPEMWOLKMQXDPT-UHFFFAOYSA-N -1 3 379.453 3.132 20 0 GGADHM Cc1ccc(-c2noc(CCCS(=O)(=O)c3cccc([O-])c3)n2)cc1F ZINC000183986408 1430823954 /nfs/dbraw/zinc/82/39/54/1430823954.db2.gz IYSNMAFGVWMFTI-UHFFFAOYSA-N -1 3 376.409 3.296 20 0 GGADHM CC(C)Cc1ccc([C@@H](C)NC(=O)CS(=O)(=O)c2cccc([O-])c2)cc1 ZINC000183992258 1430825241 /nfs/dbraw/zinc/82/52/41/1430825241.db2.gz YDUSNCGAQDAHSX-OAHLLOKOSA-N -1 3 375.490 3.242 20 0 GGADHM C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1)c1ccc2c(c1)CCCC2 ZINC000183993463 1430825518 /nfs/dbraw/zinc/82/55/18/1430825518.db2.gz MKJUJDNKNZLXEG-HUUCEWRRSA-N -1 3 387.501 3.311 20 0 GGADHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)ccc21 ZINC000184023371 1430830800 /nfs/dbraw/zinc/83/08/00/1430830800.db2.gz HVTDPCIJHHDMIP-CYBMUJFWSA-N -1 3 386.473 3.110 20 0 GGADHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]Nc2ccc(Cl)cc2)cc1 ZINC000184045846 1430833975 /nfs/dbraw/zinc/83/39/75/1430833975.db2.gz DQLQGQSGAZXQIJ-UHFFFAOYSA-N -1 3 397.809 3.042 20 0 GGADHM Cc1cc(NC(=O)NNC(=O)c2ccccc2[O-])nn1-c1ccccc1Cl ZINC000184080794 1430838686 /nfs/dbraw/zinc/83/86/86/1430838686.db2.gz SNRQHQJBUTXTEF-UHFFFAOYSA-N -1 3 385.811 3.006 20 0 GGADHM CCOC[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000184120841 1430843932 /nfs/dbraw/zinc/84/39/32/1430843932.db2.gz AMNAWXUGWRKPPH-UTKZUKDTSA-N -1 3 396.487 3.138 20 0 GGADHM Cc1ccc(Br)cc1NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000184132753 1430845487 /nfs/dbraw/zinc/84/54/87/1430845487.db2.gz IULDJCOKFISHHE-UHFFFAOYSA-N -1 3 393.197 3.132 20 0 GGADHM CC(C)(CO)CCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184193359 1430854253 /nfs/dbraw/zinc/85/42/53/1430854253.db2.gz LDKACTJYMDOTOE-FQEVSTJZSA-N -1 3 398.503 3.168 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(F)nc1 ZINC000184221511 1430858287 /nfs/dbraw/zinc/85/82/87/1430858287.db2.gz NULJOUVFHYNGQW-SFHVURJKSA-N -1 3 379.391 3.426 20 0 GGADHM Cc1ccc(CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)Nc2nccs2)cc1F ZINC000184235232 1430860264 /nfs/dbraw/zinc/86/02/64/1430860264.db2.gz BARPIPWSOOETGL-OAHLLOKOSA-N -1 3 399.513 3.063 20 0 GGADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000184287126 1430868503 /nfs/dbraw/zinc/86/85/03/1430868503.db2.gz BNNLJQNMGGLQNX-OAHLLOKOSA-N -1 3 396.353 3.120 20 0 GGADHM CCC(CC)(CO)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184297401 1430870003 /nfs/dbraw/zinc/87/00/03/1430870003.db2.gz RKKQFEZHAYNPCQ-HXUWFJFHSA-N -1 3 398.503 3.168 20 0 GGADHM CCS(=O)(=O)Cc1nc(=O)c2c3c(sc2[n-]1)C[C@H](c1ccccc1)CC3 ZINC000184311977 1430871731 /nfs/dbraw/zinc/87/17/31/1430871731.db2.gz ZJPIASYCTPRAMB-CYBMUJFWSA-N -1 3 388.514 3.192 20 0 GGADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@@H]1CCSC1 ZINC000184357897 1430877777 /nfs/dbraw/zinc/87/77/77/1430877777.db2.gz ITANUSQHKCFRRU-IEBWSBKVSA-N -1 3 384.501 3.217 20 0 GGADHM CC[C@H](NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1nc(C)cs1 ZINC000184394272 1430882708 /nfs/dbraw/zinc/88/27/08/1430882708.db2.gz TUSZRSJWUKSMGR-JTQLQIEISA-N -1 3 392.506 3.085 20 0 GGADHM CC(C)(C)c1cc(NC(=O)NN=c2ccc(Cl)n[n-]2)n(-c2ccccn2)n1 ZINC000184424414 1430886446 /nfs/dbraw/zinc/88/64/46/1430886446.db2.gz GSXJJTWIKBCWCL-UHFFFAOYSA-N -1 3 386.847 3.157 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CN[C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184486036 1430893240 /nfs/dbraw/zinc/89/32/40/1430893240.db2.gz FTAQAOHFFCRWQU-GFCCVEGCSA-N -1 3 375.494 3.056 20 0 GGADHM COc1ccc(C(=O)[N-]C(=O)CN[C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184486017 1430893266 /nfs/dbraw/zinc/89/32/66/1430893266.db2.gz FTAQAOHFFCRWQU-LBPRGKRZSA-N -1 3 375.494 3.056 20 0 GGADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1cccnc1Cl ZINC000184561259 1430905158 /nfs/dbraw/zinc/90/51/58/1430905158.db2.gz RIMQTUSFQOKTPL-UHFFFAOYSA-N -1 3 387.596 3.103 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCN([C@H](C)c4nccs4)CC3)cc(=O)oc12 ZINC000184598856 1430914234 /nfs/dbraw/zinc/91/42/34/1430914234.db2.gz YZWUNBNIQXLXOD-CQSZACIVSA-N -1 3 385.489 3.142 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cc(OC)ccc2Cl)o1 ZINC000184614714 1430920007 /nfs/dbraw/zinc/92/00/07/1430920007.db2.gz JXNFDSZLTDAWEP-UHFFFAOYSA-N -1 3 394.859 3.250 20 0 GGADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000184617468 1430920571 /nfs/dbraw/zinc/92/05/71/1430920571.db2.gz RTBBURVAYZWKLA-UHFFFAOYSA-N -1 3 376.203 3.103 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-c4nc[nH]n4)cc3)c2)n1 ZINC000184622146 1430922091 /nfs/dbraw/zinc/92/20/91/1430922091.db2.gz AZYXMGXMZAFDMP-UHFFFAOYSA-N -1 3 386.415 3.037 20 0 GGADHM CCN(CC(F)F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184645715 1430928959 /nfs/dbraw/zinc/92/89/59/1430928959.db2.gz KRRCZEJQQOOBKU-KRWDZBQOSA-N -1 3 376.403 3.367 20 0 GGADHM CCN(CC(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000184649890 1430930020 /nfs/dbraw/zinc/93/00/20/1430930020.db2.gz WWAFCPJLXAEIAR-UHFFFAOYSA-N -1 3 386.395 3.354 20 0 GGADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000184663384 1430934601 /nfs/dbraw/zinc/93/46/01/1430934601.db2.gz DUAWVZWMOBGHOH-UHFFFAOYSA-N -1 3 396.878 3.189 20 0 GGADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184686605 1430942487 /nfs/dbraw/zinc/94/24/87/1430942487.db2.gz RYZOXAXVTFQLBI-GHMZBOCLSA-N -1 3 384.379 3.218 20 0 GGADHM CCCCNC(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000184829223 1430993821 /nfs/dbraw/zinc/99/38/21/1430993821.db2.gz ZWFMGDGAMJMIQH-UHFFFAOYSA-N -1 3 381.432 3.480 20 0 GGADHM Cc1cc(Br)c(F)cc1NC(=O)NNC(=O)c1ccccc1[O-] ZINC000184839673 1430999556 /nfs/dbraw/zinc/99/95/56/1430999556.db2.gz RFRRJMQDRUUNDJ-UHFFFAOYSA-N -1 3 382.189 3.069 20 0 GGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1F ZINC000184893092 1431014784 /nfs/dbraw/zinc/01/47/84/1431014784.db2.gz IXHWMJAKSOZHQW-ZDUSSCGKSA-N -1 3 383.416 3.489 20 0 GGADHM CC[C@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCN1Cc1ccccc1 ZINC000184913539 1431019932 /nfs/dbraw/zinc/01/99/32/1431019932.db2.gz ZTKAWSHWHROHGO-SFHVURJKSA-N -1 3 396.535 3.112 20 0 GGADHM Cn1cc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2Sc2ccccc2)cn1 ZINC000184919015 1431021003 /nfs/dbraw/zinc/02/10/03/1431021003.db2.gz QBDLWXFTLVTRIM-UHFFFAOYSA-N -1 3 386.864 3.300 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)N2CCCCC[C@H]2c2cccn2C)c([O-])c1 ZINC000184937991 1431026603 /nfs/dbraw/zinc/02/66/03/1431026603.db2.gz GYXCUOFVQKPZEB-IBGZPJMESA-N -1 3 383.492 3.303 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NNc2cccc(Cl)c2)c1 ZINC000184951213 1431029089 /nfs/dbraw/zinc/02/90/89/1431029089.db2.gz QGDIJFQVWRIBFK-UHFFFAOYSA-N -1 3 386.795 3.351 20 0 GGADHM CCCCN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)CC1 ZINC000184972701 1431033855 /nfs/dbraw/zinc/03/38/55/1431033855.db2.gz LBRSRYDEFKVPFC-UHFFFAOYSA-N -1 3 382.526 3.051 20 0 GGADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)c(C)o1 ZINC000185015958 1431042563 /nfs/dbraw/zinc/04/25/63/1431042563.db2.gz NYZYQCRTMFSBDU-HNAYVOBHSA-N -1 3 390.505 3.186 20 0 GGADHM COC1(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)CCCCC1 ZINC000185166260 1431076080 /nfs/dbraw/zinc/07/60/80/1431076080.db2.gz RKJGQYLZMPNTTI-UHFFFAOYSA-N -1 3 389.677 3.213 20 0 GGADHM CCn1c(=O)[nH]nc1S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000185091220 1431058407 /nfs/dbraw/zinc/05/84/07/1431058407.db2.gz UEXWFEIGCOTOGO-QMMMGPOBSA-N -1 3 389.462 3.003 20 0 GGADHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)CC1 ZINC000185158473 1431074416 /nfs/dbraw/zinc/07/44/16/1431074416.db2.gz HJQPPFZYRSRQMP-UHFFFAOYSA-N -1 3 379.913 3.283 20 0 GGADHM O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000185259054 1431095425 /nfs/dbraw/zinc/09/54/25/1431095425.db2.gz LDBTXGSLHPKRHQ-MRXNPFEDSA-N -1 3 380.423 3.427 20 0 GGADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1 ZINC000185267758 1431097071 /nfs/dbraw/zinc/09/70/71/1431097071.db2.gz QPQILPKBZUIHFR-CQSZACIVSA-N -1 3 394.468 3.108 20 0 GGADHM Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000185320155 1431112855 /nfs/dbraw/zinc/11/28/55/1431112855.db2.gz XTQGZJZIDKOPNF-CQSZACIVSA-N -1 3 385.346 3.174 20 0 GGADHM Cc1nc(-c2ccc(N3CCN([C@H](C)c4ccsc4)CC3)nc2)[n-]c(=O)c1C ZINC000185479007 1431154109 /nfs/dbraw/zinc/15/41/09/1431154109.db2.gz ZRTSQGQLKHUQAV-MRXNPFEDSA-N -1 3 395.532 3.393 20 0 GGADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)NN=c1cncc(Cl)[n-]1 ZINC000185565148 1431171760 /nfs/dbraw/zinc/17/17/60/1431171760.db2.gz CJVHAXTYBYTVTF-UHFFFAOYSA-N -1 3 395.648 3.200 20 0 GGADHM Cc1c(Br)scc1C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000185596409 1431180298 /nfs/dbraw/zinc/18/02/98/1431180298.db2.gz IGQIOZQFULGHEA-UHFFFAOYSA-N -1 3 381.177 3.385 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cc(F)ccc3OC)c2)n1 ZINC000185649247 1431195129 /nfs/dbraw/zinc/19/51/29/1431195129.db2.gz ZWQZCXWYKOEFDA-UHFFFAOYSA-N -1 3 381.407 3.328 20 0 GGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(OC(F)F)n(C)n3)s2)cc1 ZINC000185730012 1431217578 /nfs/dbraw/zinc/21/75/78/1431217578.db2.gz ILHZYEBPUVSGGC-UHFFFAOYSA-N -1 3 379.392 3.025 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2c(C)cccc2OC(F)F)c([O-])c1 ZINC000185734061 1431218587 /nfs/dbraw/zinc/21/85/87/1431218587.db2.gz KHNNOFMNXFKTOP-UHFFFAOYSA-N -1 3 378.375 3.369 20 0 GGADHM O=C(NCC1(CCOCc2ccccc2)CC1)NN=c1cncc(Cl)[n-]1 ZINC000185753381 1431225257 /nfs/dbraw/zinc/22/52/57/1431225257.db2.gz FGVHGNMUJOFNAS-UHFFFAOYSA-N -1 3 375.860 3.143 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000185857842 1431253416 /nfs/dbraw/zinc/25/34/16/1431253416.db2.gz IVQSLTOURMNOME-KPKJPENVSA-N -1 3 378.215 3.196 20 0 GGADHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185866837 1431256842 /nfs/dbraw/zinc/25/68/42/1431256842.db2.gz AWSXXVTYINSMFV-SECBINFHSA-N -1 3 386.265 3.449 20 0 GGADHM O=C([N-]NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F ZINC000185884022 1431262495 /nfs/dbraw/zinc/26/24/95/1431262495.db2.gz IXWGKSJKQBJOCX-QWRGUYRKSA-N -1 3 386.732 3.461 20 0 GGADHM Cn1nc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)cc1OC(F)F ZINC000185932141 1431285492 /nfs/dbraw/zinc/28/54/92/1431285492.db2.gz CIIKUSUTMHZEIQ-UHFFFAOYSA-N -1 3 399.810 3.370 20 0 GGADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccn(-c4ccc(F)cc4F)n3)nc21 ZINC000185992374 1431306952 /nfs/dbraw/zinc/30/69/52/1431306952.db2.gz LDNLYFFBRBSAMV-UHFFFAOYSA-N -1 3 397.341 3.066 20 0 GGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)c[n-]c12 ZINC000186156381 1431343286 /nfs/dbraw/zinc/34/32/86/1431343286.db2.gz NZHFUYXTSXDMCP-UHFFFAOYSA-N -1 3 380.379 3.205 20 0 GGADHM O=C(CC1(CSc2ccccc2)CC1)NCCNC(=O)c1ccc([O-])cc1 ZINC000186171829 1431346187 /nfs/dbraw/zinc/34/61/87/1431346187.db2.gz YWZPCEBCUQOKKB-UHFFFAOYSA-N -1 3 384.501 3.201 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCC(C)(C(C)C)CC3)nc(=O)c2c1C ZINC000186188427 1431349293 /nfs/dbraw/zinc/34/92/93/1431349293.db2.gz BNVUWMQGHBLSND-UHFFFAOYSA-N -1 3 377.510 3.338 20 0 GGADHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cc1OC(F)F ZINC000186200448 1431351023 /nfs/dbraw/zinc/35/10/23/1431351023.db2.gz UQIGUODIZWFDSG-ZDUSSCGKSA-N -1 3 384.342 3.136 20 0 GGADHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000186203628 1431351925 /nfs/dbraw/zinc/35/19/25/1431351925.db2.gz WQTUKDJGOXVFTG-BXUZGUMPSA-N -1 3 390.390 3.496 20 0 GGADHM CCc1cnc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)s1 ZINC000186241775 1431360468 /nfs/dbraw/zinc/36/04/68/1431360468.db2.gz XYMPPQXGRYCOGW-UHFFFAOYSA-N -1 3 387.234 3.074 20 0 GGADHM COc1cccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000186371031 1431394240 /nfs/dbraw/zinc/39/42/40/1431394240.db2.gz ICYCZZOCKWRJJQ-UHFFFAOYSA-N -1 3 382.189 3.063 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)Nc2ccc(F)cc2)c1 ZINC000186380072 1431396467 /nfs/dbraw/zinc/39/64/67/1431396467.db2.gz QPCJUDBEQAATPB-UHFFFAOYSA-N -1 3 382.189 3.063 20 0 GGADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(F)nc3)nc(=O)c2c1C ZINC000186386313 1431397804 /nfs/dbraw/zinc/39/78/04/1431397804.db2.gz KYHZORFQYUYJKD-UITAMQMPSA-N -1 3 379.800 3.351 20 0 GGADHM COCCn1c2ccccc2nc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000186450915 1431423061 /nfs/dbraw/zinc/42/30/61/1431423061.db2.gz MLDVQLMRNXTCCV-UHFFFAOYSA-N -1 3 394.406 3.224 20 0 GGADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(F)cc1F ZINC000186510846 1431442106 /nfs/dbraw/zinc/44/21/06/1431442106.db2.gz RAUQGTIKLHGOIR-GOSISDBHSA-N -1 3 395.406 3.214 20 0 GGADHM CCOc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc(Cl)c1[O-] ZINC000186638894 1431476970 /nfs/dbraw/zinc/47/69/70/1431476970.db2.gz VSCGLDKWMKLDBE-UHFFFAOYSA-N -1 3 389.883 3.234 20 0 GGADHM COc1ccc(OC)c(CC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC000186650398 1431480630 /nfs/dbraw/zinc/48/06/30/1431480630.db2.gz XDWCEJNMPJYKEQ-UHFFFAOYSA-N -1 3 398.228 3.396 20 0 GGADHM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)CCO2 ZINC000186652923 1431481184 /nfs/dbraw/zinc/48/11/84/1431481184.db2.gz RIMSQOKSCFBQDJ-CYBMUJFWSA-N -1 3 387.379 3.305 20 0 GGADHM COC(=O)c1sc2[n-]c(CN3CCc4c(C)cc(C)cc4C3)nc(=O)c2c1C ZINC000186703807 1431496140 /nfs/dbraw/zinc/49/61/40/1431496140.db2.gz YKCMSVINPBBJGF-UHFFFAOYSA-N -1 3 397.500 3.255 20 0 GGADHM Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000186839293 1431535272 /nfs/dbraw/zinc/53/52/72/1431535272.db2.gz DDMPDGLWFALPKK-UHFFFAOYSA-N -1 3 385.420 3.218 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2F)[n-]c1-c1ccccc1 ZINC000186840105 1431535319 /nfs/dbraw/zinc/53/53/19/1431535319.db2.gz SDACFRZNOHNVEF-UHFFFAOYSA-N -1 3 391.399 3.076 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(F)cc2F)nc1-c1ccccc1 ZINC000186840105 1431535331 /nfs/dbraw/zinc/53/53/31/1431535331.db2.gz SDACFRZNOHNVEF-UHFFFAOYSA-N -1 3 391.399 3.076 20 0 GGADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)[n-]c1-c1ccccc1 ZINC000186844020 1431536412 /nfs/dbraw/zinc/53/64/12/1431536412.db2.gz OHENBNJEODSKHS-IJEWVQPXSA-N -1 3 389.521 3.052 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)[n-]c1-c1ccccc1 ZINC000186852412 1431540659 /nfs/dbraw/zinc/54/06/59/1431540659.db2.gz QDBRZOHZZVMBMT-UHFFFAOYSA-N -1 3 387.505 3.092 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)nc1-c1ccccc1 ZINC000186852412 1431540677 /nfs/dbraw/zinc/54/06/77/1431540677.db2.gz QDBRZOHZZVMBMT-UHFFFAOYSA-N -1 3 387.505 3.092 20 0 GGADHM Cc1nc(S(=O)(=O)CC(=O)N(C)Cc2ccccc2C)[n-]c1-c1ccccc1 ZINC000186856342 1431542552 /nfs/dbraw/zinc/54/25/52/1431542552.db2.gz ADWXQCYRHFLWRT-UHFFFAOYSA-N -1 3 397.500 3.126 20 0 GGADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(C)Cc2ccccc2C)nc1-c1ccccc1 ZINC000186856342 1431542559 /nfs/dbraw/zinc/54/25/59/1431542559.db2.gz ADWXQCYRHFLWRT-UHFFFAOYSA-N -1 3 397.500 3.126 20 0 GGADHM CCOCCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000186888121 1431555691 /nfs/dbraw/zinc/55/56/91/1431555691.db2.gz DENNYDMDFQHDQR-UHFFFAOYSA-N -1 3 395.459 3.175 20 0 GGADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186924295 1431567351 /nfs/dbraw/zinc/56/73/51/1431567351.db2.gz YPDVUXJEPHPWHA-UHFFFAOYSA-N -1 3 384.457 3.379 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC4(CC4)C3)nc(=O)c2c1C ZINC000186958973 1431577010 /nfs/dbraw/zinc/57/70/10/1431577010.db2.gz ZWEPKIZKJTXJCQ-LBPRGKRZSA-N -1 3 375.494 3.407 20 0 GGADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000186969152 1431579400 /nfs/dbraw/zinc/57/94/00/1431579400.db2.gz GDBGNARDJJERNW-SDDRHHMPSA-N -1 3 398.301 3.226 20 0 GGADHM Cn1cc(CCNC(=O)NN=c2cncc(Cl)[n-]2)c2ccc(Cl)cc21 ZINC000186986946 1431583623 /nfs/dbraw/zinc/58/36/23/1431583623.db2.gz MCFMHXKKZASBEC-UHFFFAOYSA-N -1 3 379.251 3.144 20 0 GGADHM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000187051060 1431599949 /nfs/dbraw/zinc/59/99/49/1431599949.db2.gz LUNHODJFPYXLRF-UHFFFAOYSA-N -1 3 379.388 3.268 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000187120069 1431621781 /nfs/dbraw/zinc/62/17/81/1431621781.db2.gz BDOJJJLEMXRYNH-UHFFFAOYSA-N -1 3 392.546 3.183 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000187127683 1431624677 /nfs/dbraw/zinc/62/46/77/1431624677.db2.gz VVNKWVQDOXYSRZ-OAHLLOKOSA-N -1 3 382.526 3.051 20 0 GGADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc(O)c1[O-] ZINC000187135468 1431627418 /nfs/dbraw/zinc/62/74/18/1431627418.db2.gz VUQGRSAGSPXMGO-UHFFFAOYSA-N -1 3 380.238 3.401 20 0 GGADHM COc1ccc(Oc2cc(CNC(=O)c3cccc4n[n-]nc43)ccn2)cc1 ZINC000187229685 1431656745 /nfs/dbraw/zinc/65/67/45/1431656745.db2.gz HBDUANSPQALIJR-UHFFFAOYSA-N -1 3 375.388 3.084 20 0 GGADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cn(-c3cccc(Cl)c3)nn2)c1 ZINC000187243575 1431662935 /nfs/dbraw/zinc/66/29/35/1431662935.db2.gz HKBVWVOARULLON-MRXNPFEDSA-N -1 3 379.807 3.190 20 0 GGADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187279691 1431679833 /nfs/dbraw/zinc/67/98/33/1431679833.db2.gz IYPDEPKGAALGPO-UHFFFAOYSA-N -1 3 377.448 3.391 20 0 GGADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)C2CC2)n1 ZINC000187351704 1431705813 /nfs/dbraw/zinc/70/58/13/1431705813.db2.gz GKRRRQKHPHEHPP-MRXNPFEDSA-N -1 3 386.502 3.338 20 0 GGADHM O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccccc1C(F)(F)F ZINC000187375885 1431713144 /nfs/dbraw/zinc/71/31/44/1431713144.db2.gz VSQHRUPSEPWWPU-CQSZACIVSA-N -1 3 395.337 3.214 20 0 GGADHM O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187429456 1431727115 /nfs/dbraw/zinc/72/71/15/1431727115.db2.gz NKRADQXMHUQTQD-UHFFFAOYSA-N -1 3 385.427 3.183 20 0 GGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(-n2nnnc2C2CC2)ccc1F ZINC000187482709 1431745311 /nfs/dbraw/zinc/74/53/11/1431745311.db2.gz CHPFVBDGIRFWEW-UHFFFAOYSA-N -1 3 387.440 3.042 20 0 GGADHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]Nc2cccc(Cl)c2)cc1 ZINC000187507089 1431751166 /nfs/dbraw/zinc/75/11/66/1431751166.db2.gz QDAJFYKFVXIXKP-UHFFFAOYSA-N -1 3 397.809 3.042 20 0 GGADHM O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cccc2n[n-]nc21 ZINC000187612730 1431779309 /nfs/dbraw/zinc/77/93/09/1431779309.db2.gz ODIZHTUXRPGBHS-UHFFFAOYSA-N -1 3 382.427 3.286 20 0 GGADHM O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc2n[n-]nc21 ZINC000187638835 1431785438 /nfs/dbraw/zinc/78/54/38/1431785438.db2.gz YDEVQPPJYHKMEK-UHFFFAOYSA-N -1 3 389.390 3.279 20 0 GGADHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000187707581 1431802290 /nfs/dbraw/zinc/80/22/90/1431802290.db2.gz KPQZOMDPOMTGLO-UHFFFAOYSA-N -1 3 398.793 3.243 20 0 GGADHM Cc1coc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc12 ZINC000187994929 1431834644 /nfs/dbraw/zinc/83/46/44/1431834644.db2.gz IZLXMCNECVFEQR-UHFFFAOYSA-N -1 3 379.416 3.437 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000188067229 1431841905 /nfs/dbraw/zinc/84/19/05/1431841905.db2.gz PJVNYGPSHKYYGD-QGOAFFKASA-N -1 3 381.863 3.297 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000188104260 1431846943 /nfs/dbraw/zinc/84/69/43/1431846943.db2.gz LGOOOAGYBWJHSK-NTCAYCPXSA-N -1 3 383.835 3.428 20 0 GGADHM C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1noc(-c2ccccc2)n1 ZINC000188105734 1431847357 /nfs/dbraw/zinc/84/73/57/1431847357.db2.gz VQRFNQWKRVIJKL-ZDUSSCGKSA-N -1 3 383.429 3.151 20 0 GGADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000188146167 1431853023 /nfs/dbraw/zinc/85/30/23/1431853023.db2.gz FZNQABSBTRZREQ-UHFFFAOYSA-N -1 3 388.345 3.051 20 0 GGADHM Cc1cc(S(=O)(=O)[N-]CCCCNC(=O)OC(C)(C)C)sc1Cl ZINC000188166125 1431855367 /nfs/dbraw/zinc/85/53/67/1431855367.db2.gz VLRDXXZYXDTMPL-UHFFFAOYSA-N -1 3 382.935 3.293 20 0 GGADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCOc1cccc(Br)c1 ZINC000188249283 1431865631 /nfs/dbraw/zinc/86/56/31/1431865631.db2.gz BLGZSEVRRYYVNF-GXDHUFHOSA-N -1 3 387.233 3.257 20 0 GGADHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000188359357 1431876602 /nfs/dbraw/zinc/87/66/02/1431876602.db2.gz FFFMJIHFMIQKTR-AWEZNQCLSA-N -1 3 391.386 3.035 20 0 GGADHM CCCn1c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc2ccccc21 ZINC000188357531 1431876715 /nfs/dbraw/zinc/87/67/15/1431876715.db2.gz LCZFJVVQWYGIFX-UHFFFAOYSA-N -1 3 391.471 3.355 20 0 GGADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000188366091 1431877565 /nfs/dbraw/zinc/87/75/65/1431877565.db2.gz QKOOMVGWMNYVEK-XBNGYDHASA-N -1 3 397.862 3.356 20 0 GGADHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000188392697 1431880280 /nfs/dbraw/zinc/88/02/80/1431880280.db2.gz NNAGVIYFOPFNBG-CQSZACIVSA-N -1 3 391.386 3.035 20 0 GGADHM CC(C)n1cc(C(=O)[N-]NC(=O)CCCOc2ccc(Cl)cc2Cl)cn1 ZINC000188452140 1431884990 /nfs/dbraw/zinc/88/49/90/1431884990.db2.gz COTIZMQIPBJZAU-UHFFFAOYSA-N -1 3 399.278 3.391 20 0 GGADHM Cc1cc(Cl)ccc1OCCCC(=O)N[N-]C(=O)c1cnn(C(C)C)c1 ZINC000188452268 1431885006 /nfs/dbraw/zinc/88/50/06/1431885006.db2.gz RWFIQZKYNMRWIL-UHFFFAOYSA-N -1 3 378.860 3.046 20 0 GGADHM CCc1ccc(C(=O)N2CCC(Nc3cccc(C(=O)OC)c3)CC2)c([O-])c1 ZINC000188465834 1431886503 /nfs/dbraw/zinc/88/65/03/1431886503.db2.gz QJACBZQYGRBHEX-UHFFFAOYSA-N -1 3 382.460 3.458 20 0 GGADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000188591170 1431898069 /nfs/dbraw/zinc/89/80/69/1431898069.db2.gz JYXWYHNLONWZSH-UHFFFAOYSA-N -1 3 391.342 3.423 20 0 GGADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000188597731 1431898732 /nfs/dbraw/zinc/89/87/32/1431898732.db2.gz JJNMMOHHPNXROF-VBKZILBWSA-N -1 3 380.448 3.013 20 0 GGADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccco1 ZINC000188603911 1431899244 /nfs/dbraw/zinc/89/92/44/1431899244.db2.gz GBRUCCAROVDSHQ-QGZVFWFLSA-N -1 3 388.514 3.419 20 0 GGADHM O=S(=O)([N-]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccco1 ZINC000188646403 1431915906 /nfs/dbraw/zinc/91/59/06/1431915906.db2.gz YWWHXFXVOKCIIG-UHFFFAOYSA-N -1 3 380.429 3.006 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)c2nc(Br)ccc2C)c([O-])c1 ZINC000188669739 1431927624 /nfs/dbraw/zinc/92/76/24/1431927624.db2.gz SGNFYQJCZYGNLI-UHFFFAOYSA-N -1 3 379.210 3.287 20 0 GGADHM CCc1ccc(C(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c([O-])c1 ZINC000188890413 1432003833 /nfs/dbraw/zinc/00/38/33/1432003833.db2.gz WXQYJJIPSFKDGH-FQEVSTJZSA-N -1 3 395.459 3.225 20 0 GGADHM N#Cc1c(F)cccc1C(=O)[N-]NC(=S)Nc1cccc(Br)c1 ZINC000188894553 1432004680 /nfs/dbraw/zinc/00/46/80/1432004680.db2.gz DRSAMHLAIQBSKP-UHFFFAOYSA-N -1 3 393.241 3.091 20 0 GGADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000188925568 1432010209 /nfs/dbraw/zinc/01/02/09/1432010209.db2.gz RQFMSOVBHPYCSU-UHFFFAOYSA-N -1 3 395.463 3.224 20 0 GGADHM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000188938647 1432012935 /nfs/dbraw/zinc/01/29/35/1432012935.db2.gz YSXLMBCAFYPNKH-UHFFFAOYSA-N -1 3 376.478 3.126 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(F)c(Cl)c3)[n-]c(=O)c21 ZINC000188979911 1432020973 /nfs/dbraw/zinc/02/09/73/1432020973.db2.gz PKSJEMLPFOOGKB-UHFFFAOYSA-N -1 3 393.827 3.498 20 0 GGADHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188992071 1432023457 /nfs/dbraw/zinc/02/34/57/1432023457.db2.gz JBSTYNNYSQFTSP-UHFFFAOYSA-N -1 3 375.429 3.034 20 0 GGADHM O=S(=O)([N-]Cc1ccc(Br)o1)c1cnc(Cl)c(Cl)c1 ZINC000189049807 1432034573 /nfs/dbraw/zinc/03/45/73/1432034573.db2.gz NFVGYERYDJDNPJ-UHFFFAOYSA-N -1 3 386.054 3.222 20 0 GGADHM CC[C@]1(CO)CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000189315682 1432084946 /nfs/dbraw/zinc/08/49/46/1432084946.db2.gz HVAMAPPNTARGHQ-NZQKXSOJSA-N -1 3 396.487 3.017 20 0 GGADHM CC[C@@]1(CO)CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000189315705 1432084963 /nfs/dbraw/zinc/08/49/63/1432084963.db2.gz HVAMAPPNTARGHQ-REWPJTCUSA-N -1 3 396.487 3.017 20 0 GGADHM CCOc1ccc(NC(=O)NN=c2ccc(Cl)n[n-]2)cc1Br ZINC000189492494 1432133967 /nfs/dbraw/zinc/13/39/67/1432133967.db2.gz GKYWRHLFMPBABY-UHFFFAOYSA-N -1 3 386.637 3.440 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](C)(Cc3ccccc3)[C@@H](C)O)nc2)n1 ZINC000189648404 1432189647 /nfs/dbraw/zinc/18/96/47/1432189647.db2.gz RSFFMLXUMAAMAW-MWTRTKDXSA-N -1 3 392.503 3.436 20 0 GGADHM CCOC(C)(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000189699364 1432208043 /nfs/dbraw/zinc/20/80/43/1432208043.db2.gz OJLRHROBJFBZOU-UHFFFAOYSA-N -1 3 394.468 3.171 20 0 GGADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(Cl)c(F)c3)[n-]c(=O)c21 ZINC000189839302 1432250213 /nfs/dbraw/zinc/25/02/13/1432250213.db2.gz ARFDIHKKLYCLCS-UHFFFAOYSA-N -1 3 393.827 3.498 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCc3cncn3C)cc2)cc1 ZINC000189861279 1432256089 /nfs/dbraw/zinc/25/60/89/1432256089.db2.gz PYMXIMCPRUNJME-UHFFFAOYSA-N -1 3 398.488 3.101 20 0 GGADHM CCOCCO[N-]C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000189862898 1432256346 /nfs/dbraw/zinc/25/63/46/1432256346.db2.gz YUOKMWCNEVEUDC-UHFFFAOYSA-N -1 3 388.251 3.450 20 0 GGADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2-n2cccn2)c([O-])c1 ZINC000189929100 1432278005 /nfs/dbraw/zinc/27/80/05/1432278005.db2.gz FDNOZVAUYZCMGY-UHFFFAOYSA-N -1 3 385.811 3.006 20 0 GGADHM CCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000189966100 1432291391 /nfs/dbraw/zinc/29/13/91/1432291391.db2.gz DZJINSPKUFTODI-AWEZNQCLSA-N -1 3 387.867 3.494 20 0 GGADHM CCc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000189966119 1432291452 /nfs/dbraw/zinc/29/14/52/1432291452.db2.gz DZJINSPKUFTODI-CQSZACIVSA-N -1 3 387.867 3.494 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 ZINC000190051031 1432311255 /nfs/dbraw/zinc/31/12/55/1432311255.db2.gz YZHZIXIZHOSNOP-INIZCTEOSA-N -1 3 393.459 3.447 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 ZINC000190051015 1432311439 /nfs/dbraw/zinc/31/14/39/1432311439.db2.gz YZHZIXIZHOSNOP-MRXNPFEDSA-N -1 3 393.459 3.447 20 0 GGADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c([O-])c1 ZINC000190057302 1432312104 /nfs/dbraw/zinc/31/21/04/1432312104.db2.gz YLLJNKKAGRGHQK-UHFFFAOYSA-N -1 3 386.448 3.199 20 0 GGADHM CCCCOc1ccc(C(=O)N2CCN(c3nc(C)cs3)CC2)c([O-])c1 ZINC000190117497 1432322701 /nfs/dbraw/zinc/32/27/01/1432322701.db2.gz WFLRQRNGFUTDKK-UHFFFAOYSA-N -1 3 375.494 3.298 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)c(C)c1 ZINC000190148262 1432328551 /nfs/dbraw/zinc/32/85/51/1432328551.db2.gz SCCQSZYFUYNHFB-UHFFFAOYSA-N -1 3 388.489 3.253 20 0 GGADHM CCCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)nc2)c([O-])c1 ZINC000190165729 1432331541 /nfs/dbraw/zinc/33/15/41/1432331541.db2.gz SBVWBNYHQFUJTI-UHFFFAOYSA-N -1 3 380.448 3.390 20 0 GGADHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCCCC)cc2[O-])C1 ZINC000190235696 1432346254 /nfs/dbraw/zinc/34/62/54/1432346254.db2.gz LJOUCEKVJVAVKO-MRXNPFEDSA-N -1 3 376.497 3.340 20 0 GGADHM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190251337 1432348794 /nfs/dbraw/zinc/34/87/94/1432348794.db2.gz SEOXBSHXSIYPTK-UHFFFAOYSA-N -1 3 386.473 3.308 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3n[nH]c4c3CCCCC4)c2)n1 ZINC000190333154 1432363326 /nfs/dbraw/zinc/36/33/26/1432363326.db2.gz FYVYDVKBAWYDFF-UHFFFAOYSA-N -1 3 377.448 3.244 20 0 GGADHM C[C@H](Oc1ccccc1F)C(=O)[N-]NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000190413583 1432377270 /nfs/dbraw/zinc/37/72/70/1432377270.db2.gz OQBXKYXCBREEEY-VIFPVBQESA-N -1 3 388.292 3.212 20 0 GGADHM CC(C)c1c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cnn1-c1ccccc1 ZINC000190451633 1432384627 /nfs/dbraw/zinc/38/46/27/1432384627.db2.gz DTQUJWPTBXXGTK-UHFFFAOYSA-N -1 3 396.422 3.095 20 0 GGADHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000190550296 1432404447 /nfs/dbraw/zinc/40/44/47/1432404447.db2.gz AESJJJXHJWEYNK-KZULUSFZSA-N -1 3 387.423 3.012 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCCC[C@@H]3CC)c2)n1 ZINC000190659854 1432434585 /nfs/dbraw/zinc/43/45/85/1432434585.db2.gz VCDYGOMCSDDTGQ-SFHVURJKSA-N -1 3 396.491 3.119 20 0 GGADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000190673458 1432439994 /nfs/dbraw/zinc/43/99/94/1432439994.db2.gz BVCLEDUCAKOBAO-NXEZZACHSA-N -1 3 385.960 3.052 20 0 GGADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000190673441 1432440021 /nfs/dbraw/zinc/44/00/21/1432440021.db2.gz BVCLEDUCAKOBAO-UWVGGRQHSA-N -1 3 385.960 3.052 20 0 GGADHM CCc1ccc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c([O-])c1 ZINC000190732761 1432461393 /nfs/dbraw/zinc/46/13/93/1432461393.db2.gz LNPLCULOORANCX-UHFFFAOYSA-N -1 3 380.488 3.262 20 0 GGADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c([O-])c1 ZINC000190788809 1432480852 /nfs/dbraw/zinc/48/08/52/1432480852.db2.gz ICHKKCYYQYGFML-UHFFFAOYSA-N -1 3 377.444 3.034 20 0 GGADHM O=S(=O)(CCCCCl)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000190813005 1432491322 /nfs/dbraw/zinc/49/13/22/1432491322.db2.gz CIONSOHKNHUUNJ-UHFFFAOYSA-N -1 3 392.706 3.396 20 0 GGADHM CN1CCN(C(=O)Cc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)CC1 ZINC000190843416 1432504478 /nfs/dbraw/zinc/50/44/78/1432504478.db2.gz VUGNRLJDCZYWKS-UHFFFAOYSA-N -1 3 391.874 3.113 20 0 GGADHM CCc1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c([O-])c1 ZINC000190870201 1432514093 /nfs/dbraw/zinc/51/40/93/1432514093.db2.gz MVIFXHJPKMAADQ-UHFFFAOYSA-N -1 3 378.432 3.419 20 0 GGADHM CC(=O)[C@@H]1CC(C([O-])=C(C#N)c2cnc3ccccc3n2)=NN1c1ccccc1 ZINC000190917825 1432528959 /nfs/dbraw/zinc/52/89/59/1432528959.db2.gz UZBSUSCROKDVHC-IERDGZPVSA-N -1 3 383.411 3.030 20 0 GGADHM Cc1csc(C(=O)NN=c2ccc(C(F)(F)F)n[n-]2)c1Br ZINC000190988673 1432544650 /nfs/dbraw/zinc/54/46/50/1432544650.db2.gz JYPABMPHHMTHEQ-UHFFFAOYSA-N -1 3 381.177 3.385 20 0 GGADHM Cn1nc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000191062352 1432560327 /nfs/dbraw/zinc/56/03/27/1432560327.db2.gz BFMRKWRIABRELK-MRVPVSSYSA-N -1 3 394.179 3.417 20 0 GGADHM COc1ccc(CN2CC[C@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000191078801 1432563394 /nfs/dbraw/zinc/56/33/94/1432563394.db2.gz RXMODGPPAGMIBX-INIZCTEOSA-N -1 3 378.831 3.084 20 0 GGADHM CCc1cc(O)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000191099689 1432568259 /nfs/dbraw/zinc/56/82/59/1432568259.db2.gz AKCPMVMJLJRFRJ-UHFFFAOYSA-N -1 3 394.468 3.423 20 0 GGADHM C[C@@H]1CSCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000191290349 1432621713 /nfs/dbraw/zinc/62/17/13/1432621713.db2.gz KSVHSCTVMPOASR-JXFKEZNVSA-N -1 3 398.528 3.465 20 0 GGADHM C[C@H]1CCN(Cc2c([O-])ccc3cc(Br)ccc32)CCS1(=O)=O ZINC000191306774 1432627035 /nfs/dbraw/zinc/62/70/35/1432627035.db2.gz PHHJMMRAEUUFMP-LBPRGKRZSA-N -1 3 398.322 3.317 20 0 GGADHM CCOC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)C ZINC000191446126 1432663221 /nfs/dbraw/zinc/66/32/21/1432663221.db2.gz KQIYMZQHBBBYSL-RTWAWAEBSA-N -1 3 398.503 3.431 20 0 GGADHM CCOC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000191521795 1432678190 /nfs/dbraw/zinc/67/81/90/1432678190.db2.gz RRGWXCILMKOKLJ-INIZCTEOSA-N -1 3 380.238 3.254 20 0 GGADHM O=c1[n-]nc(SCc2ccc(-n3ccnc3)cc2)n1CCc1ccccc1 ZINC000191566117 1432684452 /nfs/dbraw/zinc/68/44/52/1432684452.db2.gz OUICSKODBGHZJR-UHFFFAOYSA-N -1 3 377.473 3.292 20 0 GGADHM O=S1(=O)CCCN1c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000191602529 1432690719 /nfs/dbraw/zinc/69/07/19/1432690719.db2.gz TWGKYQULJLHXPX-UHFFFAOYSA-N -1 3 384.860 3.014 20 0 GGADHM CCc1c(NC(=O)NNC(=O)c2ccccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000191610839 1432692629 /nfs/dbraw/zinc/69/26/29/1432692629.db2.gz OWJXLZFYWFOJSZ-UHFFFAOYSA-N -1 3 399.838 3.260 20 0 GGADHM O=C(NCc1ccc(Cl)cc1)N[N-]C(=O)c1cccnc1SC(F)F ZINC000191615234 1432693301 /nfs/dbraw/zinc/69/33/01/1432693301.db2.gz FOEHMGFPLZXRTG-UHFFFAOYSA-N -1 3 386.811 3.194 20 0 GGADHM CC(=O)N1CCN(Cc2cccc(NCc3c([O-])ccc(Cl)c3F)c2)CC1 ZINC000191619719 1432693990 /nfs/dbraw/zinc/69/39/90/1432693990.db2.gz XPBAOHPGVICRFN-UHFFFAOYSA-N -1 3 391.874 3.461 20 0 GGADHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000191655025 1432700341 /nfs/dbraw/zinc/70/03/41/1432700341.db2.gz RNZRVCFGCGCSCC-INIZCTEOSA-N -1 3 384.329 3.103 20 0 GGADHM Cc1c([O-])ccc2c(CN(C)[C@H]3CCN(Cc4ccccc4)C3=O)cc(=O)oc12 ZINC000191744664 1432716445 /nfs/dbraw/zinc/71/64/45/1432716445.db2.gz AJJKBXLFHWZNBS-IBGZPJMESA-N -1 3 392.455 3.040 20 0 GGADHM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[N-]OC[C@H]1CCOC1 ZINC000191814449 1432731294 /nfs/dbraw/zinc/73/12/94/1432731294.db2.gz PPYDGZJGICVMCF-INIZCTEOSA-N -1 3 395.434 3.305 20 0 GGADHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1Cc1ccc(F)cc1F ZINC000191851288 1432739860 /nfs/dbraw/zinc/73/98/60/1432739860.db2.gz LZNOZCXQIMJNEQ-UHFFFAOYSA-N -1 3 391.309 3.213 20 0 GGADHM CO[C@](C)(C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000191874996 1432744441 /nfs/dbraw/zinc/74/44/41/1432744441.db2.gz ZTZUJFULIQIPTE-KRWDZBQOSA-N -1 3 385.222 3.455 20 0 GGADHM O=C(C[N-]S(=O)(=O)C1=Cc2ccccc2OC1)Nc1cccc2ccccc21 ZINC000191923143 1432756361 /nfs/dbraw/zinc/75/63/61/1432756361.db2.gz DAYYWRAFJAWLFC-UHFFFAOYSA-N -1 3 394.452 3.131 20 0 GGADHM Cn1ncc2c1ncc(C(=O)N(CCC(F)(F)F)Cc1ccccc1)c2[O-] ZINC000191946002 1432762776 /nfs/dbraw/zinc/76/27/76/1432762776.db2.gz SHTTUMIDNBVGIJ-UHFFFAOYSA-N -1 3 378.354 3.269 20 0 GGADHM CCCCc1nc(NC(=O)c2cnc3onc(CC)c3c2)c(C(=O)OCC)[n-]1 ZINC000191963314 1432768491 /nfs/dbraw/zinc/76/84/91/1432768491.db2.gz LBMBFGVYHWOEKB-UHFFFAOYSA-N -1 3 385.424 3.280 20 0 GGADHM CCCCc1nc(NC(=O)CCc2nc(C(C)C)no2)c(C(=O)OCC)[n-]1 ZINC000191962808 1432768633 /nfs/dbraw/zinc/76/86/33/1432768633.db2.gz PDZXGZSVUUPYSR-UHFFFAOYSA-N -1 3 377.445 3.007 20 0 GGADHM CCCCc1nc(NC(=O)c2ccc(-n3cncn3)c(C)c2)c(C(=O)OCC)[n-]1 ZINC000191962295 1432768819 /nfs/dbraw/zinc/76/88/19/1432768819.db2.gz DAYNUKZBJQXOJO-UHFFFAOYSA-N -1 3 396.451 3.070 20 0 GGADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC(F)(F)C(F)F ZINC000192028793 1432781823 /nfs/dbraw/zinc/78/18/23/1432781823.db2.gz BEVQPTAXUGMPDX-HNNXBMFYSA-N -1 3 398.356 3.270 20 0 GGADHM CCc1c(NC(=O)c2cnc3c(cnn3C)c2[O-])cnn1-c1ccccc1Cl ZINC000192124378 1432801994 /nfs/dbraw/zinc/80/19/94/1432801994.db2.gz HLQJCNBNSAFQAM-UHFFFAOYSA-N -1 3 396.838 3.328 20 0 GGADHM O=C([N-]NC(=O)c1cccc(Br)c1F)c1ccc(Cl)cc1F ZINC000192145935 1432807232 /nfs/dbraw/zinc/80/72/32/1432807232.db2.gz CKLGZUMRSNHNCB-UHFFFAOYSA-N -1 3 389.583 3.456 20 0 GGADHM COc1ccc(N[C@@H]2CCc3c(cccc3OC)C2)cc1[N-]S(C)(=O)=O ZINC000192447167 1432845744 /nfs/dbraw/zinc/84/57/44/1432845744.db2.gz TXFGQHGXLCWEHX-CQSZACIVSA-N -1 3 376.478 3.045 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000192522822 1432854703 /nfs/dbraw/zinc/85/47/03/1432854703.db2.gz UJCNZYWZDCONFV-ZDUSSCGKSA-N -1 3 379.794 3.057 20 0 GGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1 ZINC000192543680 1432857458 /nfs/dbraw/zinc/85/74/58/1432857458.db2.gz VZAPWLTXFQJUFY-OAHLLOKOSA-N -1 3 386.471 3.028 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000192544597 1432857487 /nfs/dbraw/zinc/85/74/87/1432857487.db2.gz WUTDQLLDNMGEGP-ZDUSSCGKSA-N -1 3 394.397 3.028 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000192588642 1432863455 /nfs/dbraw/zinc/86/34/55/1432863455.db2.gz DSVCDUZHYJCGPW-CQSZACIVSA-N -1 3 379.794 3.057 20 0 GGADHM Cc1noc(C)c1COc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000192595110 1432863918 /nfs/dbraw/zinc/86/39/18/1432863918.db2.gz YNYYFDNQGJKQIA-UHFFFAOYSA-N -1 3 393.403 3.430 20 0 GGADHM Cc1ccccc1-n1ccnc1SCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000192597506 1432864313 /nfs/dbraw/zinc/86/43/13/1432864313.db2.gz CGTNIPQSZLJIEP-UHFFFAOYSA-N -1 3 380.433 3.290 20 0 GGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000192597378 1432864430 /nfs/dbraw/zinc/86/44/30/1432864430.db2.gz IWILRDKSEJCDAS-UHFFFAOYSA-N -1 3 395.806 3.180 20 0 GGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000192599628 1432864592 /nfs/dbraw/zinc/86/45/92/1432864592.db2.gz PYXQQOHTCYGJMC-CQSZACIVSA-N -1 3 393.821 3.447 20 0 GGADHM Cc1ccc(NC(=O)C[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000192636002 1432869453 /nfs/dbraw/zinc/86/94/53/1432869453.db2.gz DWSCFFWDJZBOFB-OAHLLOKOSA-N -1 3 392.452 3.443 20 0 GGADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000192715550 1432879295 /nfs/dbraw/zinc/87/92/95/1432879295.db2.gz KURVACIUHXEZRS-UHFFFAOYSA-N -1 3 386.477 3.391 20 0 GGADHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccn(CC(F)F)n1 ZINC000192784698 1432890310 /nfs/dbraw/zinc/89/03/10/1432890310.db2.gz QVLXRQMMDYJQHH-SECBINFHSA-N -1 3 387.173 3.416 20 0 GGADHM Cc1c(Cl)cccc1C(=O)NN=c1[n-]c(Br)cn2ccnc12 ZINC000192810031 1432893589 /nfs/dbraw/zinc/89/35/89/1432893589.db2.gz KKRHGBKDGBKHDN-UHFFFAOYSA-N -1 3 380.633 3.211 20 0 GGADHM COc1ccccc1-c1nc(C2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)no1 ZINC000192811292 1432893702 /nfs/dbraw/zinc/89/37/02/1432893702.db2.gz ZFPXODYAORWCNV-AWEZNQCLSA-N -1 3 395.463 3.490 20 0 GGADHM CC(C)c1ccc([C@@H](NC(=O)CSc2nc3n[nH]cc3c(=O)[n-]2)C(C)C)cc1 ZINC000192943684 1432911104 /nfs/dbraw/zinc/91/11/04/1432911104.db2.gz WFBFPINPEBDGQU-KRWDZBQOSA-N -1 3 399.520 3.375 20 0 GGADHM CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)sc2C1 ZINC000193004505 1432920593 /nfs/dbraw/zinc/92/05/93/1432920593.db2.gz WBJGQQJYCLGBDK-LLVKDONJSA-N -1 3 391.468 3.148 20 0 GGADHM CCc1ccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000193158817 1432947428 /nfs/dbraw/zinc/94/74/28/1432947428.db2.gz CYVJITOAJJRTHK-INIZCTEOSA-N -1 3 381.476 3.183 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000193195138 1432955514 /nfs/dbraw/zinc/95/55/14/1432955514.db2.gz SYZSYNDLOAXMTR-ZDUSSCGKSA-N -1 3 375.469 3.482 20 0 GGADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000193245761 1432966839 /nfs/dbraw/zinc/96/68/39/1432966839.db2.gz AVUBVQAUBPADSK-OAQYLSRUSA-N -1 3 379.435 3.364 20 0 GGADHM COc1cccc(Cn2ccc3ccc([N-]S(=O)(=O)C[C@@H](C)OC)cc32)c1 ZINC000193338030 1432981856 /nfs/dbraw/zinc/98/18/56/1432981856.db2.gz STPJROLBVZIZTQ-OAHLLOKOSA-N -1 3 388.489 3.475 20 0 GGADHM Cc1c([O-])ccc2c(CN3CCCN(C(=O)OC(C)(C)C)CC3)cc(=O)oc12 ZINC000193341549 1432982509 /nfs/dbraw/zinc/98/25/09/1432982509.db2.gz LJYBYXYYXMLJJD-UHFFFAOYSA-N -1 3 388.464 3.250 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3sccc3C2)c1 ZINC000193470439 1433004588 /nfs/dbraw/zinc/00/45/88/1433004588.db2.gz HRZKFOUIBVBTLI-UHFFFAOYSA-N -1 3 383.429 3.201 20 0 GGADHM CCc1cc(=O)[n-]c(-c2ccc(N(CCCO)Cc3cccc(Cl)c3)nc2)n1 ZINC000193481939 1433006353 /nfs/dbraw/zinc/00/63/53/1433006353.db2.gz FZRVKOAVEBYYQD-UHFFFAOYSA-N -1 3 398.894 3.437 20 0 GGADHM COC(=O)c1cnc(SCC(=O)NCC2(c3ccccc3)CCCCC2)[n-]1 ZINC000193547142 1433017911 /nfs/dbraw/zinc/01/79/11/1433017911.db2.gz LEXYNOIFXLTOKY-UHFFFAOYSA-N -1 3 387.505 3.307 20 0 GGADHM COC(=O)c1cnc(SCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[n-]1 ZINC000193547186 1433018076 /nfs/dbraw/zinc/01/80/76/1433018076.db2.gz NPWKODKBTDPTEH-KRWDZBQOSA-N -1 3 391.468 3.475 20 0 GGADHM Cc1cc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)s1 ZINC000193677551 1433039285 /nfs/dbraw/zinc/03/92/85/1433039285.db2.gz WUHHOIJNMFPXPW-CQSZACIVSA-N -1 3 387.505 3.299 20 0 GGADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000193820436 1433066633 /nfs/dbraw/zinc/06/66/33/1433066633.db2.gz GFLUCNJILFFSIF-UHFFFAOYSA-N -1 3 395.412 3.017 20 0 GGADHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nnn1Cc1ccc(F)cc1 ZINC000193934219 1433088046 /nfs/dbraw/zinc/08/80/46/1433088046.db2.gz USKXJQNVVLMNIK-UHFFFAOYSA-N -1 3 391.309 3.213 20 0 GGADHM CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1ccc(O)cc1[O-] ZINC000193940043 1433089298 /nfs/dbraw/zinc/08/92/98/1433089298.db2.gz SWXZYUGFPUEDCM-UHFFFAOYSA-N -1 3 395.459 3.426 20 0 GGADHM CCOc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc(Cl)c1[O-] ZINC000193957546 1433092368 /nfs/dbraw/zinc/09/23/68/1433092368.db2.gz ZHPGBWYMCQAKOL-UHFFFAOYSA-N -1 3 389.883 3.448 20 0 GGADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1Cl)c1ccc(Cl)cc1 ZINC000193998013 1433098315 /nfs/dbraw/zinc/09/83/15/1433098315.db2.gz QKKSYQMWSNMNHV-CYBMUJFWSA-N -1 3 375.277 3.363 20 0 GGADHM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc21 ZINC000194109278 1433118908 /nfs/dbraw/zinc/11/89/08/1433118908.db2.gz OLQQMJQDYASURC-UHFFFAOYSA-N -1 3 386.198 3.059 20 0 GGADHM CN(C)CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CCCC1 ZINC000194110201 1433119363 /nfs/dbraw/zinc/11/93/63/1433119363.db2.gz ZFKOKNIVFLOHGC-UHFFFAOYSA-N -1 3 376.888 3.178 20 0 GGADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc2)CC1 ZINC000194136498 1433123586 /nfs/dbraw/zinc/12/35/86/1433123586.db2.gz ZHECXFBNCVBYJK-UHFFFAOYSA-N -1 3 386.473 3.394 20 0 GGADHM CC1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000194151484 1433127347 /nfs/dbraw/zinc/12/73/47/1433127347.db2.gz ODTXLCJESDPDAP-UHFFFAOYSA-N -1 3 387.501 3.022 20 0 GGADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c2c(n1)onc2C(C)C ZINC000194419174 1433175192 /nfs/dbraw/zinc/17/51/92/1433175192.db2.gz AVAPNBMJPAUKRP-UHFFFAOYSA-N -1 3 388.449 3.278 20 0 GGADHM Cc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc(C)cc3O)C[C@@H]2C)c([O-])c1 ZINC000194512322 1433190330 /nfs/dbraw/zinc/19/03/30/1433190330.db2.gz ZQVDLEUWOIPEHL-IYBDPMFKSA-N -1 3 382.460 3.090 20 0 GGADHM Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(C)cc3O)[C@@H](C)C2)c([O-])c1 ZINC000194512322 1433190331 /nfs/dbraw/zinc/19/03/31/1433190331.db2.gz ZQVDLEUWOIPEHL-IYBDPMFKSA-N -1 3 382.460 3.090 20 0 GGADHM CSC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000194669875 1433213581 /nfs/dbraw/zinc/21/35/81/1433213581.db2.gz VHLXEAMHVUMIHP-SFHVURJKSA-N -1 3 384.501 3.265 20 0 GGADHM Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3n[n-]c(-c4ccco4)n3)ccc12 ZINC000194686467 1433215523 /nfs/dbraw/zinc/21/55/23/1433215523.db2.gz RHERNQHEVGNUQO-UHFFFAOYSA-N -1 3 385.387 3.359 20 0 GGADHM Cc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)cnc1Br ZINC000194692352 1433216299 /nfs/dbraw/zinc/21/62/99/1433216299.db2.gz LMUFLUCWZWIVKB-UHFFFAOYSA-N -1 3 377.210 3.373 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](C)c3ccccn3)nc(=O)c2c1C ZINC000194716780 1433218977 /nfs/dbraw/zinc/21/89/77/1433218977.db2.gz KFLRVJFBPPIVOL-NEPJUHHUSA-N -1 3 386.477 3.277 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3CC)c2)c(C)c1 ZINC000194728297 1433220905 /nfs/dbraw/zinc/22/09/05/1433220905.db2.gz XDZCKNQIKYIQKG-UHFFFAOYSA-N -1 3 386.477 3.473 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)c(C)c1 ZINC000194728633 1433221128 /nfs/dbraw/zinc/22/11/28/1433221128.db2.gz ZLIUNCAVGYFYAI-UHFFFAOYSA-N -1 3 376.478 3.205 20 0 GGADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C2SCCS2)cc1 ZINC000194729748 1433221184 /nfs/dbraw/zinc/22/11/84/1433221184.db2.gz VZJCCLFSSRPPPL-UHFFFAOYSA-N -1 3 383.502 3.275 20 0 GGADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C2SCCS2)cc1 ZINC000194729748 1433221186 /nfs/dbraw/zinc/22/11/86/1433221186.db2.gz VZJCCLFSSRPPPL-UHFFFAOYSA-N -1 3 383.502 3.275 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c(=O)[n-]1 ZINC000194840054 1433245721 /nfs/dbraw/zinc/24/57/21/1433245721.db2.gz DIFJAARZYWAFBA-UHFFFAOYSA-N -1 3 380.326 3.118 20 0 GGADHM Cc1c([O-])ccc2c(CNc3cc(F)cc(N4CCOCC4)c3)cc(=O)oc12 ZINC000194901457 1433260902 /nfs/dbraw/zinc/26/09/02/1433260902.db2.gz JDHBYYDCEWKRCV-UHFFFAOYSA-N -1 3 384.407 3.395 20 0 GGADHM O=S(=O)(Cc1ccc(OCc2ccc(F)cc2)cc1)c1nc(C2CC2)n[n-]1 ZINC000195029282 1433283118 /nfs/dbraw/zinc/28/31/18/1433283118.db2.gz MPDJVDNYSYMRHK-UHFFFAOYSA-N -1 3 387.436 3.374 20 0 GGADHM O=S(=O)(Cc1ccc(OCc2ccc(F)cc2)cc1)c1nnc(C2CC2)[n-]1 ZINC000195029282 1433283121 /nfs/dbraw/zinc/28/31/21/1433283121.db2.gz MPDJVDNYSYMRHK-UHFFFAOYSA-N -1 3 387.436 3.374 20 0 GGADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccs1 ZINC000195137811 1433297645 /nfs/dbraw/zinc/29/76/45/1433297645.db2.gz CEOQKTWMFOLSDF-SECBINFHSA-N -1 3 380.322 3.031 20 0 GGADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccs1 ZINC000195137801 1433297759 /nfs/dbraw/zinc/29/77/59/1433297759.db2.gz CEOQKTWMFOLSDF-VIFPVBQESA-N -1 3 380.322 3.031 20 0 GGADHM Cc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c([O-])c1 ZINC000205702099 1433353318 /nfs/dbraw/zinc/35/33/18/1433353318.db2.gz DCRPQXYSWJZCCU-SFQUDFHCSA-N -1 3 382.441 3.167 20 0 GGADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)/C=C\c2ccc(Cl)cc2)o1 ZINC000209297775 1433355770 /nfs/dbraw/zinc/35/57/70/1433355770.db2.gz SRLFFTGCLNDDAJ-GHXNOFRVSA-N -1 3 375.856 3.249 20 0 GGADHM COc1cc(/C=C\C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc(Cl)c1[O-] ZINC000211163656 1433357301 /nfs/dbraw/zinc/35/73/01/1433357301.db2.gz OXKAAXSCAGUBCQ-WTKPLQERSA-N -1 3 389.835 3.417 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000236717878 1433377089 /nfs/dbraw/zinc/37/70/89/1433377089.db2.gz IGWAXTIYWAUDQE-HNNXBMFYSA-N -1 3 396.553 3.297 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](N)c3ccccc3)cc2)cc1 ZINC000237858109 1433429551 /nfs/dbraw/zinc/42/95/51/1433429551.db2.gz PQYAJASSONVORX-FQEVSTJZSA-N -1 3 395.484 3.434 20 0 GGADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000242793617 1433447356 /nfs/dbraw/zinc/44/73/56/1433447356.db2.gz FBDNOQYBWSOSCC-UHFFFAOYSA-N -1 3 399.516 3.370 20 0 GGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000246316315 1433593832 /nfs/dbraw/zinc/59/38/32/1433593832.db2.gz GVQLKRMSMDXSKJ-RKVPGOIHSA-N -1 3 394.537 3.034 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@H]1c1cccs1 ZINC000247801454 1433752052 /nfs/dbraw/zinc/75/20/52/1433752052.db2.gz GCRVMAAAFPUHSW-HNNXBMFYSA-N -1 3 394.493 3.305 20 0 GGADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N(Cc1cccs1)C1CC1 ZINC000247953122 1433758230 /nfs/dbraw/zinc/75/82/30/1433758230.db2.gz UMKDAVWDFCTBFQ-UHFFFAOYSA-N -1 3 394.493 3.133 20 0 GGADHM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000248141536 1433773772 /nfs/dbraw/zinc/77/37/72/1433773772.db2.gz FOFIIIJNFVEWIV-AWEZNQCLSA-N -1 3 390.480 3.408 20 0 GGADHM CC1(C)[C@@H]2CN(C(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)C[C@@H]21 ZINC000248528509 1433807006 /nfs/dbraw/zinc/80/70/06/1433807006.db2.gz DKPFMLRQJSVMAU-HSALFYBXSA-N -1 3 378.472 3.368 20 0 GGADHM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000248879097 1433827296 /nfs/dbraw/zinc/82/72/96/1433827296.db2.gz NUKDTSUCGAWDJC-OAGGEKHMSA-N -1 3 396.553 3.153 20 0 GGADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000252692747 1433864267 /nfs/dbraw/zinc/86/42/67/1433864267.db2.gz NJWRMSPZLLXBIK-USXIJHARSA-N -1 3 399.493 3.305 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@]4(CCOC4)C3)nc(=O)c2c1C ZINC000253552440 1433869190 /nfs/dbraw/zinc/86/91/90/1433869190.db2.gz XIODPAQQGHNNKE-CWTRNNRKSA-N -1 3 391.493 3.055 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](C)[C@@H](C)C3)c2)n1 ZINC000253559619 1433869255 /nfs/dbraw/zinc/86/92/55/1433869255.db2.gz LUBWUSJGLJKKHJ-QWQRMKEZSA-N -1 3 396.491 3.291 20 0 GGADHM CCC[C@@H]1CN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CCO1 ZINC000253555707 1433869332 /nfs/dbraw/zinc/86/93/32/1433869332.db2.gz BAZVQNBPRMUIBF-CHWSQXEVSA-N -1 3 393.509 3.444 20 0 GGADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCO[C@@H](CC)C3)nc(=O)c2c1C ZINC000253604739 1433870139 /nfs/dbraw/zinc/87/01/39/1433870139.db2.gz WSPYOLQLMGDGAJ-NEPJUHHUSA-N -1 3 379.482 3.054 20 0 GGADHM COc1ccc(NC(=S)NN=Cc2cc(Br)ccc2[O-])cc1 ZINC000254330899 1433870879 /nfs/dbraw/zinc/87/08/79/1433870879.db2.gz UAMPEHCHIMFTFT-UHFFFAOYSA-N -1 3 380.267 3.484 20 0 GGADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000255121785 1433876910 /nfs/dbraw/zinc/87/69/10/1433876910.db2.gz ZVKGHIXKTZUDIX-RJRFIUFISA-N -1 3 383.757 3.453 20 0 GGADHM CC(C)(C)[S@@](=O)Cc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255237861 1433878859 /nfs/dbraw/zinc/87/88/59/1433878859.db2.gz AIJFRHLMJGRSIY-RCNHZOFUSA-N -1 3 382.485 3.457 20 0 GGADHM C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000255368305 1433881498 /nfs/dbraw/zinc/88/14/98/1433881498.db2.gz MNTHVWPJQVSGJC-XMXAVACDSA-N -1 3 387.436 3.451 20 0 GGADHM C/C(=C/C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000255500971 1433883671 /nfs/dbraw/zinc/88/36/71/1433883671.db2.gz LAIIDBWNZQYBFG-QBFSEMIESA-N -1 3 392.377 3.361 20 0 GGADHM O=C(Cc1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1)c1ccccc1 ZINC000255557496 1433885020 /nfs/dbraw/zinc/88/50/20/1433885020.db2.gz OCLDGVPBXSSGRG-BOPFTXTBSA-N -1 3 389.436 3.292 20 0 GGADHM CC1CCN(Cc2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)CC1 ZINC000255555612 1433885032 /nfs/dbraw/zinc/88/50/32/1433885032.db2.gz CJAOHPOORRYHHA-YVLHZVERSA-N -1 3 382.489 3.098 20 0 GGADHM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccccc2[N-]S(C)(=O)=O)s1 ZINC000255622115 1433886614 /nfs/dbraw/zinc/88/66/14/1433886614.db2.gz BTYWKHFPTXSWJB-KTKRTIGZSA-N -1 3 379.507 3.464 20 0 GGADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C2)c(Cl)cc1Cl ZINC000261389648 1433895537 /nfs/dbraw/zinc/89/55/37/1433895537.db2.gz NBJIBHWBFXOHJZ-LLVKDONJSA-N -1 3 393.336 3.410 20 0 GGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nc(C3(N)CCC3)no2)c1 ZINC000261655213 1433898244 /nfs/dbraw/zinc/89/82/44/1433898244.db2.gz FFHIHOHASWGMEI-UHFFFAOYSA-N -1 3 398.488 3.492 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000262968387 1433971463 /nfs/dbraw/zinc/97/14/63/1433971463.db2.gz RJRQXAPVLCXMDP-MRXNPFEDSA-N -1 3 389.883 3.176 20 0 GGADHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000263017388 1433977176 /nfs/dbraw/zinc/97/71/76/1433977176.db2.gz ZMGURRBWUZNCQK-MRXNPFEDSA-N -1 3 389.883 3.176 20 0 GGADHM O=C([O-])CC[C@H]1CCCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000263078947 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/nfs/dbraw/zinc/00/17/25/1434001725.db2.gz JDXNNRPEWBTLGK-GHTZIAJQSA-N -1 3 394.515 3.367 20 0 GGADHM CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)N(C)C)cc1 ZINC000263344766 1434002915 /nfs/dbraw/zinc/00/29/15/1434002915.db2.gz OHYLLDQJCPMYCZ-DBVUQKKJSA-N -1 3 389.540 3.240 20 0 GGADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263367194 1434004081 /nfs/dbraw/zinc/00/40/81/1434004081.db2.gz UGDWEQFPJRKMJR-YJBOKZPZSA-N -1 3 388.552 3.302 20 0 GGADHM O=C([O-])c1ccc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000263379581 1434004863 /nfs/dbraw/zinc/00/48/63/1434004863.db2.gz BIDCGHDIKIBDLH-OAHLLOKOSA-N -1 3 378.350 3.299 20 0 GGADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000263423274 1434006037 /nfs/dbraw/zinc/00/60/37/1434006037.db2.gz PPJDFGSXQJPORJ-NRFANRHFSA-N -1 3 379.460 3.337 20 0 GGADHM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3OC(F)F)CCCCC2)no1 ZINC000263717608 1434024740 /nfs/dbraw/zinc/02/47/40/1434024740.db2.gz QUCALZWSERJEDR-UHFFFAOYSA-N -1 3 387.408 3.117 20 0 GGADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000263863679 1434043090 /nfs/dbraw/zinc/04/30/90/1434043090.db2.gz UOIIZGGZOIBEDO-HOTGVXAUSA-N -1 3 390.505 3.247 20 0 GGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(OC)c2[O-])c1C ZINC000263967452 1434055010 /nfs/dbraw/zinc/05/50/10/1434055010.db2.gz NYLBTFBBLTZWTM-UHFFFAOYSA-N -1 3 378.450 3.113 20 0 GGADHM O=c1[n-]nc(SCc2csc(-c3ccccc3F)n2)n1C[C@H]1CCCO1 ZINC000263979527 1434057154 /nfs/dbraw/zinc/05/71/54/1434057154.db2.gz VAEAMDWXCBQIGB-GFCCVEGCSA-N -1 3 392.481 3.305 20 0 GGADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1C ZINC000263985319 1434057845 /nfs/dbraw/zinc/05/78/45/1434057845.db2.gz YLUPGLVEIOWOGU-UHFFFAOYSA-N -1 3 378.450 3.113 20 0 GGADHM COc1ccc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000264121746 1434073592 /nfs/dbraw/zinc/07/35/92/1434073592.db2.gz LEPXBIIRXAOKQG-UHFFFAOYSA-N -1 3 378.469 3.120 20 0 GGADHM COc1cc(NC(=O)CO[N-]C(=O)CCC2CCCCC2)cc(OC)c1OC ZINC000264385889 1434105580 /nfs/dbraw/zinc/10/55/80/1434105580.db2.gz YAGUYJOFRONGOP-UHFFFAOYSA-N -1 3 394.468 3.059 20 0 GGADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000264499156 1434120846 /nfs/dbraw/zinc/12/08/46/1434120846.db2.gz HZKSCQPKDYTPMQ-INIZCTEOSA-N -1 3 392.434 3.250 20 0 GGADHM COc1ccc([O-])c(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1 ZINC000264825039 1434157826 /nfs/dbraw/zinc/15/78/26/1434157826.db2.gz GWRFWWJEPIXOPY-UHFFFAOYSA-N -1 3 377.462 3.366 20 0 GGADHM CC(C)c1ccc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c([O-])c1 ZINC000265592784 1434249038 /nfs/dbraw/zinc/24/90/38/1434249038.db2.gz LEVBAGIGTUESKT-UHFFFAOYSA-N -1 3 384.480 3.124 20 0 GGADHM CCOCCOCc1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000265747599 1434262347 /nfs/dbraw/zinc/26/23/47/1434262347.db2.gz OKDNIKSYHSDHAY-UHFFFAOYSA-N -1 3 376.428 3.084 20 0 GGADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000265820490 1434268475 /nfs/dbraw/zinc/26/84/75/1434268475.db2.gz QHFRIUWSAMQNAI-ZDUSSCGKSA-N -1 3 395.475 3.366 20 0 GGADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000265820487 1434268497 /nfs/dbraw/zinc/26/84/97/1434268497.db2.gz QHFRIUWSAMQNAI-CYBMUJFWSA-N -1 3 395.475 3.366 20 0 GGADHM CCOC(=O)c1ccc(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)c([O-])c1 ZINC000265880869 1434277387 /nfs/dbraw/zinc/27/73/87/1434277387.db2.gz CADHTRIPMBYAJR-UHFFFAOYSA-N -1 3 382.416 3.025 20 0 GGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 ZINC000265914949 1434282203 /nfs/dbraw/zinc/28/22/03/1434282203.db2.gz ABAJDZYNXRRGAU-GFCCVEGCSA-N -1 3 388.851 3.277 20 0 GGADHM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000265963507 1434289397 /nfs/dbraw/zinc/28/93/97/1434289397.db2.gz ZDJUTUWVZOEUOB-UHFFFAOYSA-N -1 3 388.445 3.233 20 0 GGADHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000266005928 1434295438 /nfs/dbraw/zinc/29/54/38/1434295438.db2.gz MYWZNMYCWPSBJR-UHFFFAOYSA-N -1 3 393.465 3.131 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CNc2c(C)cccc2C)cc1OC ZINC000266130436 1434305828 /nfs/dbraw/zinc/30/58/28/1434305828.db2.gz CEGKFLCXTYIHJD-UHFFFAOYSA-N -1 3 391.493 3.124 20 0 GGADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000266271067 1434315046 /nfs/dbraw/zinc/31/50/46/1434315046.db2.gz GMVYKJVFKUTEGB-CYBMUJFWSA-N -1 3 399.472 3.273 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CCSC1 ZINC000266295562 1434317308 /nfs/dbraw/zinc/31/73/08/1434317308.db2.gz BUUAHRCVZXYRTA-CYBMUJFWSA-N -1 3 394.493 3.170 20 0 GGADHM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)c(C)c1 ZINC000266417741 1434333563 /nfs/dbraw/zinc/33/35/63/1434333563.db2.gz ACYCPXKKBMJDBM-UHFFFAOYSA-N -1 3 376.434 3.069 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C(C)C)CC2)cc1OC ZINC000266427798 1434335009 /nfs/dbraw/zinc/33/50/09/1434335009.db2.gz MLRGXEOFFVNDFP-UHFFFAOYSA-N -1 3 383.514 3.357 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CCc2cccs2)cc1OC ZINC000266506981 1434344905 /nfs/dbraw/zinc/34/49/05/1434344905.db2.gz ZYWWALRXXLLUTM-UHFFFAOYSA-N -1 3 397.522 3.225 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)cc1 ZINC000266509498 1434345017 /nfs/dbraw/zinc/34/50/17/1434345017.db2.gz BBCLUJNHKSASIM-UHFFFAOYSA-N -1 3 376.434 3.151 20 0 GGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCOC3=O)c2)cc1 ZINC000266603699 1434353543 /nfs/dbraw/zinc/35/35/43/1434353543.db2.gz PVNPAXGTACPFNH-UHFFFAOYSA-N -1 3 376.434 3.015 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1N1CCOC1=O ZINC000266603673 1434353595 /nfs/dbraw/zinc/35/35/95/1434353595.db2.gz PTYHHRASSNHVCV-UHFFFAOYSA-N -1 3 394.424 3.209 20 0 GGADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cccc1N1CCOC1=O ZINC000266626952 1434355851 /nfs/dbraw/zinc/35/58/51/1434355851.db2.gz URMROODJUFJGNX-LBPRGKRZSA-N -1 3 388.445 3.076 20 0 GGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)cc1 ZINC000266815836 1434378266 /nfs/dbraw/zinc/37/82/66/1434378266.db2.gz XMDJQGNWNCOUAU-UHFFFAOYSA-N -1 3 376.434 3.151 20 0 GGADHM CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NCc1ccc([O-])c(F)c1 ZINC000266883311 1434385175 /nfs/dbraw/zinc/38/51/75/1434385175.db2.gz SKWAMGBGRFEXDH-UHFFFAOYSA-N -1 3 398.337 3.203 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000266970215 1434394000 /nfs/dbraw/zinc/39/40/00/1434394000.db2.gz BJARYQVGAUSQBX-HNNXBMFYSA-N -1 3 398.507 3.434 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000266974338 1434394776 /nfs/dbraw/zinc/39/47/76/1434394776.db2.gz CQOBBBVFXSCQKU-UHFFFAOYSA-N -1 3 386.477 3.091 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000267039137 1434401956 /nfs/dbraw/zinc/40/19/56/1434401956.db2.gz TXSJHTDHYIAKJN-RYUDHWBXSA-N -1 3 388.493 3.078 20 0 GGADHM O=C(COC1CCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000267054446 1434403572 /nfs/dbraw/zinc/40/35/72/1434403572.db2.gz CYADNYIOYJEWFL-UHFFFAOYSA-N -1 3 380.872 3.182 20 0 GGADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000267064026 1434404250 /nfs/dbraw/zinc/40/42/50/1434404250.db2.gz HEOKYCKMQCHXKH-GFCCVEGCSA-N -1 3 392.456 3.195 20 0 GGADHM COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1cc(F)ccc1[O-] ZINC000267313820 1434421861 /nfs/dbraw/zinc/42/18/61/1434421861.db2.gz FBLVZZIHEQQHQO-CQSZACIVSA-N -1 3 392.452 3.030 20 0 GGADHM COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c([O-])c1 ZINC000267523157 1434443210 /nfs/dbraw/zinc/44/32/10/1434443210.db2.gz MXCZJRXECLHGKC-KGLIPLIRSA-N -1 3 376.453 3.015 20 0 GGADHM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1F ZINC000267806339 1434466614 /nfs/dbraw/zinc/46/66/14/1434466614.db2.gz LQLQSXNAVBCATO-UHFFFAOYSA-N -1 3 392.452 3.042 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000267819315 1434467872 /nfs/dbraw/zinc/46/78/72/1434467872.db2.gz HPMUXRIZGVCQBB-UHFFFAOYSA-N -1 3 394.397 3.286 20 0 GGADHM CC[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000268196202 1434501077 /nfs/dbraw/zinc/50/10/77/1434501077.db2.gz FPLBYSKGLDJNHC-PBHICJAKSA-N -1 3 380.872 3.180 20 0 GGADHM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(N4CCOC4=O)cc3)ccc2O1 ZINC000268285638 1434508622 /nfs/dbraw/zinc/50/86/22/1434508622.db2.gz SBSQUZSYESKOLL-UHFFFAOYSA-N -1 3 388.445 3.158 20 0 GGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)n1 ZINC000268312133 1434511109 /nfs/dbraw/zinc/51/11/09/1434511109.db2.gz HQHDPBPBHHKEIS-KBPBESRZSA-N -1 3 398.488 3.233 20 0 GGADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1 ZINC000268580256 1434536166 /nfs/dbraw/zinc/53/61/66/1434536166.db2.gz KDUSHEOWYYJFSX-LLVKDONJSA-N -1 3 377.466 3.022 20 0 GGADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2cc(OC)c(Cl)cc2OC)n1 ZINC000268606116 1434539303 /nfs/dbraw/zinc/53/93/03/1434539303.db2.gz QJKGEUOZEZIOJI-UHFFFAOYSA-N -1 3 397.884 3.287 20 0 GGADHM CC(C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000268614891 1434540258 /nfs/dbraw/zinc/54/02/58/1434540258.db2.gz IIOCWCOFOZFPRG-UHFFFAOYSA-N -1 3 383.448 3.169 20 0 GGADHM COc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000268614864 1434540404 /nfs/dbraw/zinc/54/04/04/1434540404.db2.gz IGEBMEKJRUYHRG-UHFFFAOYSA-N -1 3 389.839 3.044 20 0 GGADHM CSc1nc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)n[n-]1 ZINC000268896935 1434568850 /nfs/dbraw/zinc/56/88/50/1434568850.db2.gz TZFQQBPQHPTUGY-UHFFFAOYSA-N -1 3 393.831 3.221 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@H]3C)nc(=O)c2c1C ZINC000269404751 1434639783 /nfs/dbraw/zinc/63/97/83/1434639783.db2.gz DPZIWAPPPXYLEQ-NWDGAFQWSA-N -1 3 393.509 3.129 20 0 GGADHM COCCOC(=O)c1sc2[n-]c(CN3C[C@H](C)CC3(C)C)nc(=O)c2c1C ZINC000269414433 1434641193 /nfs/dbraw/zinc/64/11/93/1434641193.db2.gz GXDOYOSIKGGREE-LLVKDONJSA-N -1 3 393.509 3.129 20 0 GGADHM CSc1nc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n[n-]1 ZINC000269471232 1434650509 /nfs/dbraw/zinc/65/05/09/1434650509.db2.gz SXAPAACHHPXCLF-GFCCVEGCSA-N -1 3 377.470 3.121 20 0 GGADHM O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000269665511 1434667819 /nfs/dbraw/zinc/66/78/19/1434667819.db2.gz HBCGVUMCUIPCJN-KGLIPLIRSA-N -1 3 392.484 3.427 20 0 GGADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000269721090 1434672061 /nfs/dbraw/zinc/67/20/61/1434672061.db2.gz UODDOHQEFWXWQS-UHFFFAOYSA-N -1 3 387.505 3.062 20 0 GGADHM CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCc2nc[n-]c(=O)c2C1 ZINC000269736168 1434673048 /nfs/dbraw/zinc/67/30/48/1434673048.db2.gz YGGWNEDCDNJMBS-UHFFFAOYSA-N -1 3 378.432 3.087 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C3CC3)CCC2)cc1OC ZINC000269780050 1434675228 /nfs/dbraw/zinc/67/52/28/1434675228.db2.gz IGMRYHIOZHGAED-UHFFFAOYSA-N -1 3 381.498 3.159 20 0 GGADHM COc1cc(C(=O)NCC2(c3ccccc3C)CCOCC2)cc(OC)c1[O-] ZINC000269922728 1434687046 /nfs/dbraw/zinc/68/70/46/1434687046.db2.gz JEJICSMEJFESFZ-UHFFFAOYSA-N -1 3 385.460 3.196 20 0 GGADHM CCOc1cc(CCCNC(=O)c2cc(OC)c([O-])c(OC)c2)ccc1OC ZINC000269958635 1434690036 /nfs/dbraw/zinc/69/00/36/1434690036.db2.gz RYOKRJRJISEQLW-UHFFFAOYSA-N -1 3 389.448 3.179 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc(OC)c1[O-] ZINC000269970304 1434690757 /nfs/dbraw/zinc/69/07/57/1434690757.db2.gz VUQRWCDWGAMDIS-INIZCTEOSA-N -1 3 381.432 3.273 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc(OC)c1[O-] ZINC000269970305 1434690883 /nfs/dbraw/zinc/69/08/83/1434690883.db2.gz VUQRWCDWGAMDIS-MRXNPFEDSA-N -1 3 381.432 3.273 20 0 GGADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000270077493 1434699777 /nfs/dbraw/zinc/69/97/77/1434699777.db2.gz WGTAYSJVZBKHKL-QGZVFWFLSA-N -1 3 384.432 3.345 20 0 GGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@](C)(O)C3CC3)cc2)cc1 ZINC000270164332 1434708672 /nfs/dbraw/zinc/70/86/72/1434708672.db2.gz ZTEMQYCDJCMFPK-HXUWFJFHSA-N -1 3 388.489 3.285 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c(=O)[n-]1 ZINC000270175678 1434709620 /nfs/dbraw/zinc/70/96/20/1434709620.db2.gz AXHGFCRCPUJFIV-UHFFFAOYSA-N -1 3 389.459 3.286 20 0 GGADHM COc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c([O-])c1 ZINC000270495145 1434738645 /nfs/dbraw/zinc/73/86/45/1434738645.db2.gz HAQBWLLSCGUSKW-QGZVFWFLSA-N -1 3 379.359 3.216 20 0 GGADHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1csc([C@H]2CCCO2)n1 ZINC000270521988 1434741043 /nfs/dbraw/zinc/74/10/43/1434741043.db2.gz ZCFSIXGBMBFTKV-LLVKDONJSA-N -1 3 377.376 3.310 20 0 GGADHM COc1cc(C)c(CN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000270613366 1434750703 /nfs/dbraw/zinc/75/07/03/1434750703.db2.gz INFHIDVGJMDFQG-UHFFFAOYSA-N -1 3 375.421 3.007 20 0 GGADHM CCSc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000270632566 1434753854 /nfs/dbraw/zinc/75/38/54/1434753854.db2.gz DCDLRYCOHMDEKM-UHFFFAOYSA-N -1 3 385.489 3.494 20 0 GGADHM COc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000270686418 1434761762 /nfs/dbraw/zinc/76/17/62/1434761762.db2.gz IWWISNDXZXAXFD-QGZVFWFLSA-N -1 3 395.814 3.416 20 0 GGADHM CCCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000270752306 1434770196 /nfs/dbraw/zinc/77/01/96/1434770196.db2.gz VILPVXSSEBVXMQ-UHFFFAOYSA-N -1 3 397.475 3.479 20 0 GGADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270817588 1434778132 /nfs/dbraw/zinc/77/81/32/1434778132.db2.gz POFLKPWRSBIILZ-UHFFFAOYSA-N -1 3 386.448 3.127 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCc2ccsc2C1 ZINC000270916998 1434787682 /nfs/dbraw/zinc/78/76/82/1434787682.db2.gz OPBQCVMGKWTHGJ-UHFFFAOYSA-N -1 3 380.473 3.132 20 0 GGADHM COc1cc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc(OC)c1[O-] ZINC000271003394 1434794908 /nfs/dbraw/zinc/79/49/08/1434794908.db2.gz GCVSUZXKGBCPDE-MRXNPFEDSA-N -1 3 395.459 3.372 20 0 GGADHM COc1cc(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)cc(OC)c1[O-] ZINC000271056890 1434799368 /nfs/dbraw/zinc/79/93/68/1434799368.db2.gz UVXOYWAARBWBNL-UHFFFAOYSA-N -1 3 386.448 3.396 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000271110667 1434802571 /nfs/dbraw/zinc/80/25/71/1434802571.db2.gz IVSCAMYJZWKRHF-FUHWJXTLSA-N -1 3 398.507 3.195 20 0 GGADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271220785 1434809101 /nfs/dbraw/zinc/80/91/01/1434809101.db2.gz CRKZFWUDDUJDSG-AWEZNQCLSA-N -1 3 377.462 3.080 20 0 GGADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271262002 1434811608 /nfs/dbraw/zinc/81/16/08/1434811608.db2.gz KVBHZVXQBFQPRG-KBPBESRZSA-N -1 3 377.462 3.078 20 0 GGADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000271270025 1434812232 /nfs/dbraw/zinc/81/22/32/1434812232.db2.gz LMFMWGQYVGMQNN-OCCSQVGLSA-N -1 3 389.477 3.345 20 0 GGADHM CCSCC[C@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271293794 1434813866 /nfs/dbraw/zinc/81/38/66/1434813866.db2.gz QRKQWUZTPFLVHI-NSHDSACASA-N -1 3 377.466 3.202 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1NC(C)=O ZINC000271410652 1434822634 /nfs/dbraw/zinc/82/26/34/1434822634.db2.gz YMEAWJPRCOECRZ-UHFFFAOYSA-N -1 3 378.450 3.242 20 0 GGADHM CC(C)N(CCS(C)(=O)=O)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000271510877 1434830659 /nfs/dbraw/zinc/83/06/59/1434830659.db2.gz VSCROJLKSNXKEQ-UHFFFAOYSA-N -1 3 377.462 3.080 20 0 GGADHM CC[C@@H]1CC[C@@H](C)N1Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000271567229 1434835710 /nfs/dbraw/zinc/83/57/10/1434835710.db2.gz QLVSMKQNWZUSET-DGCLKSJQSA-N -1 3 393.509 3.271 20 0 GGADHM COc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc(OC)c1[O-] ZINC000271637594 1434840957 /nfs/dbraw/zinc/84/09/57/1434840957.db2.gz DKRMLKRIIUIWAN-RDTXWAMCSA-N -1 3 395.814 3.462 20 0 GGADHM CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000271726717 1434846408 /nfs/dbraw/zinc/84/64/08/1434846408.db2.gz MOVOWYJERMFXSL-UHFFFAOYSA-N -1 3 397.522 3.279 20 0 GGADHM CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000271781098 1434850109 /nfs/dbraw/zinc/85/01/09/1434850109.db2.gz ZHPAAOMWKVLQJP-UHFFFAOYSA-N -1 3 397.522 3.279 20 0 GGADHM C[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000271994776 1434864535 /nfs/dbraw/zinc/86/45/35/1434864535.db2.gz MATHHAMMPUQFGT-JSGCOSHPSA-N -1 3 380.872 3.038 20 0 GGADHM COc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(OC)c1 ZINC000272009239 1434865777 /nfs/dbraw/zinc/86/57/77/1434865777.db2.gz ANYTZSXQCQEVNW-GFCCVEGCSA-N -1 3 380.466 3.257 20 0 GGADHM COc1ccc(N[C@H](C)c2cccc(NC(C)=O)c2)cc1[N-]S(C)(=O)=O ZINC000272114670 1434873142 /nfs/dbraw/zinc/87/31/42/1434873142.db2.gz RBIOHRHNRULCKF-GFCCVEGCSA-N -1 3 377.466 3.198 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc3c(c2)OCCCO3)cc1[N-]S(C)(=O)=O ZINC000272143957 1434874742 /nfs/dbraw/zinc/87/47/42/1434874742.db2.gz WVNUPSGTGGLYEO-ZDUSSCGKSA-N -1 3 392.477 3.401 20 0 GGADHM COc1ccc(N[C@@H](C)c2ccc3c(c2)OCCO3)cc1[N-]S(C)(=O)=O ZINC000272151325 1434874957 /nfs/dbraw/zinc/87/49/57/1434874957.db2.gz XRTRXNNARZSGGW-LBPRGKRZSA-N -1 3 378.450 3.011 20 0 GGADHM COc1ccc(N[C@H](C)c2ccc3c(c2)OCCO3)cc1[N-]S(C)(=O)=O ZINC000272151324 1434874998 /nfs/dbraw/zinc/87/49/98/1434874998.db2.gz XRTRXNNARZSGGW-GFCCVEGCSA-N -1 3 378.450 3.011 20 0 GGADHM CCC[C@@H](CCO)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272657442 1434920215 /nfs/dbraw/zinc/92/02/15/1434920215.db2.gz GKMQPALNDKLMCE-UWJYYQICSA-N -1 3 398.503 3.168 20 0 GGADHM CC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCOCC1 ZINC000272669971 1434921203 /nfs/dbraw/zinc/92/12/03/1434921203.db2.gz KIOFTTMEGPDHJK-HXUWFJFHSA-N -1 3 396.487 3.186 20 0 GGADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCO[C@H]2CCC[C@H]21 ZINC000272699073 1434923779 /nfs/dbraw/zinc/92/37/79/1434923779.db2.gz SVIPQNCLNVSYIE-NJYVYQBISA-N -1 3 394.471 3.033 20 0 GGADHM CCN(CC1CCN(C(=O)c2ccc(O)cc2[O-])CC1)C(=O)OC(C)(C)C ZINC000272708549 1434924706 /nfs/dbraw/zinc/92/47/06/1434924706.db2.gz DBTGCYQCJPADAN-UHFFFAOYSA-N -1 3 378.469 3.207 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000272750404 1434928190 /nfs/dbraw/zinc/92/81/90/1434928190.db2.gz OCCHNQWGTDWHST-RHSMWYFYSA-N -1 3 398.525 3.237 20 0 GGADHM COc1ccc([C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C(F)(F)F)cc1 ZINC000272857994 1434936457 /nfs/dbraw/zinc/93/64/57/1434936457.db2.gz UBPZUVSNRHVXSB-MRXNPFEDSA-N -1 3 385.338 3.451 20 0 GGADHM CN(CCC1CCN(C(=O)c2ccc(O)cc2[O-])CC1)C(=O)OC(C)(C)C ZINC000273035125 1434953330 /nfs/dbraw/zinc/95/33/30/1434953330.db2.gz UGFTWXVUMYWJKF-UHFFFAOYSA-N -1 3 378.469 3.207 20 0 GGADHM CCCc1c(C(=O)[N-]c2nc(COC)ns2)nnn1-c1cccc(Cl)c1 ZINC000273039840 1434953567 /nfs/dbraw/zinc/95/35/67/1434953567.db2.gz DRPGFAZNJQEQSA-UHFFFAOYSA-N -1 3 392.872 3.123 20 0 GGADHM COC(=O)Nc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1F ZINC000273115292 1434962979 /nfs/dbraw/zinc/96/29/79/1434962979.db2.gz RTNJETULQIFDLK-UHFFFAOYSA-N -1 3 376.388 3.358 20 0 GGADHM COCc1nsc([N-]C(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1 ZINC000273124473 1434964029 /nfs/dbraw/zinc/96/40/29/1434964029.db2.gz RWRIPHPCNFIAAL-UHFFFAOYSA-N -1 3 395.847 3.283 20 0 GGADHM CC(C)c1c(C(=O)N2CCc3c(=O)[n-]cnc3C2)cnn1-c1cccc(Cl)c1 ZINC000273207829 1434972407 /nfs/dbraw/zinc/97/24/07/1434972407.db2.gz JGXNWLHODNVKCS-UHFFFAOYSA-N -1 3 397.866 3.343 20 0 GGADHM 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/nfs/dbraw/zinc/98/11/50/1434981150.db2.gz REIMLLHEVAEZLY-UHFFFAOYSA-N -1 3 387.436 3.020 20 0 GGADHM CS[C@H]1CCCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000273342404 1434982024 /nfs/dbraw/zinc/98/20/24/1434982024.db2.gz QWHWRRHYXYMZQT-AWEZNQCLSA-N -1 3 389.477 3.299 20 0 GGADHM Cc1csc([C@@H](C)CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000273432219 1434988523 /nfs/dbraw/zinc/98/85/23/1434988523.db2.gz VZSMITWJTXWUMU-LBPRGKRZSA-N -1 3 397.504 3.170 20 0 GGADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000273449557 1434989491 /nfs/dbraw/zinc/98/94/91/1434989491.db2.gz BVLBADKTWDIPGF-QGZVFWFLSA-N -1 3 396.365 3.055 20 0 GGADHM CC[C@@H](CSC)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273469779 1434990740 /nfs/dbraw/zinc/99/07/40/1434990740.db2.gz HZOYIELEDLNENQ-ZDUSSCGKSA-N -1 3 377.466 3.155 20 0 GGADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)c(F)c(F)c1 ZINC000273532368 1434995008 /nfs/dbraw/zinc/99/50/08/1434995008.db2.gz QXVRZMBRRYUXBE-MLGOLLRUSA-N -1 3 389.370 3.442 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CC4(C3)CCCCC4)c2)n1 ZINC000273720696 1435007735 /nfs/dbraw/zinc/00/77/35/1435007735.db2.gz OIDLHEPZTZGASS-UHFFFAOYSA-N -1 3 394.475 3.143 20 0 GGADHM COc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc(OC)c1[O-] ZINC000273852663 1435021672 /nfs/dbraw/zinc/02/16/72/1435021672.db2.gz LXUXPUDDLMQZIG-ZDUSSCGKSA-N -1 3 375.446 3.349 20 0 GGADHM COc1ccc([O-])c(-c2nc(C[C@@](O)(c3ccc(C)o3)C(F)(F)F)no2)c1 ZINC000273884734 1435025181 /nfs/dbraw/zinc/02/51/81/1435025181.db2.gz AGRFRFUBQXJWAJ-MRXNPFEDSA-N -1 3 384.310 3.345 20 0 GGADHM COc1cccc(-c2nc(C[C@@](O)(c3ccc(C)o3)C(F)(F)F)no2)c1[O-] ZINC000274138491 1435046398 /nfs/dbraw/zinc/04/63/98/1435046398.db2.gz CZMGLSIZUMXEIY-MRXNPFEDSA-N -1 3 384.310 3.345 20 0 GGADHM O=C(COc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1)Nc1ccccc1 ZINC000274164603 1435047990 /nfs/dbraw/zinc/04/79/90/1435047990.db2.gz HTGTXGWWWUURRK-IBGZPJMESA-N -1 3 385.420 3.284 20 0 GGADHM O=C(COc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1)Nc1ccccc1 ZINC000274164603 1435047991 /nfs/dbraw/zinc/04/79/91/1435047991.db2.gz HTGTXGWWWUURRK-IBGZPJMESA-N -1 3 385.420 3.284 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1 ZINC000274318704 1435061321 /nfs/dbraw/zinc/06/13/21/1435061321.db2.gz HZMHWHTVBUQSIZ-CYBMUJFWSA-N -1 3 381.425 3.050 20 0 GGADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c(C)c1 ZINC000274322399 1435061583 /nfs/dbraw/zinc/06/15/83/1435061583.db2.gz IXORTQRFOAVFQC-CQSZACIVSA-N -1 3 395.452 3.359 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000274367583 1435065474 /nfs/dbraw/zinc/06/54/74/1435065474.db2.gz PATIHYQTEOEGHS-QZTJIDSGSA-N -1 3 398.507 3.194 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000274367582 1435065555 /nfs/dbraw/zinc/06/55/55/1435065555.db2.gz PATIHYQTEOEGHS-MSOLQXFVSA-N -1 3 398.507 3.194 20 0 GGADHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccccc2SCCC(N)=O)no1 ZINC000274426113 1435070231 /nfs/dbraw/zinc/07/02/31/1435070231.db2.gz LJKMHCMWAVANGQ-UHFFFAOYSA-N -1 3 377.466 3.210 20 0 GGADHM COc1ccccc1[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)OC(C)C ZINC000274702229 1435086355 /nfs/dbraw/zinc/08/63/55/1435086355.db2.gz OBDHWMBIGAHKOG-LJQANCHMSA-N -1 3 389.448 3.314 20 0 GGADHM COC1(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCCCC1 ZINC000274712569 1435086965 /nfs/dbraw/zinc/08/69/65/1435086965.db2.gz DQYJWYMHYOLBNQ-UHFFFAOYSA-N -1 3 387.436 3.020 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC([O-])=NO[C@H]2CCCCO2)C1 ZINC000274910582 1435102984 /nfs/dbraw/zinc/10/29/84/1435102984.db2.gz NCHFBAYAASPULB-RKVPGOIHSA-N -1 3 375.469 3.384 20 0 GGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000274910582 1435102985 /nfs/dbraw/zinc/10/29/85/1435102985.db2.gz NCHFBAYAASPULB-RKVPGOIHSA-N -1 3 375.469 3.384 20 0 GGADHM COC(=O)c1cnc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)[n-]1 ZINC000274942874 1435104870 /nfs/dbraw/zinc/10/48/70/1435104870.db2.gz RFTREFCXLUHRBI-UHFFFAOYSA-N -1 3 375.450 3.156 20 0 GGADHM O=C([N-]OCCC(F)(F)F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000275204834 1435122848 /nfs/dbraw/zinc/12/28/48/1435122848.db2.gz IRMBUDWVFFWEIT-AWEZNQCLSA-N -1 3 384.320 3.441 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)cc1OC ZINC000275605429 1435152156 /nfs/dbraw/zinc/15/21/56/1435152156.db2.gz FKIBIQWYEXHPLO-TZMCWYRMSA-N -1 3 396.509 3.037 20 0 GGADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(CN(C)C)ccc1C ZINC000275626372 1435153921 /nfs/dbraw/zinc/15/39/21/1435153921.db2.gz VISNIHWSPDPYLE-UHFFFAOYSA-N -1 3 396.896 3.297 20 0 GGADHM CCc1ccc(C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)c([O-])c1 ZINC000276508293 1435215202 /nfs/dbraw/zinc/21/52/02/1435215202.db2.gz QRXLEJGLQMJTTH-UHFFFAOYSA-N -1 3 383.448 3.014 20 0 GGADHM CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000276728076 1435228347 /nfs/dbraw/zinc/22/83/47/1435228347.db2.gz UVDDKROIHGNWGH-UHFFFAOYSA-N -1 3 390.480 3.351 20 0 GGADHM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000276938002 1435244894 /nfs/dbraw/zinc/24/48/94/1435244894.db2.gz AANMVQUVXHZPCV-KRWDZBQOSA-N -1 3 375.421 3.027 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC2CC(F)(F)C2)CC1 ZINC000277137722 1435267027 /nfs/dbraw/zinc/26/70/27/1435267027.db2.gz UEVSCURTSWGKRI-UHFFFAOYSA-N -1 3 387.814 3.203 20 0 GGADHM CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000277179715 1435274162 /nfs/dbraw/zinc/27/41/62/1435274162.db2.gz UNNWVPUNXKDIKJ-QAPCUYQASA-N -1 3 394.899 3.428 20 0 GGADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC ZINC000277303651 1435291650 /nfs/dbraw/zinc/29/16/50/1435291650.db2.gz NAVRXOFAVJKTNH-HNNXBMFYSA-N -1 3 375.421 3.027 20 0 GGADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC ZINC000277303653 1435291817 /nfs/dbraw/zinc/29/18/17/1435291817.db2.gz NAVRXOFAVJKTNH-OAHLLOKOSA-N -1 3 375.421 3.027 20 0 GGADHM CC[C@]1(c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2)CCC(=O)NC1=O ZINC000277327521 1435294334 /nfs/dbraw/zinc/29/43/34/1435294334.db2.gz GDZAXYKLVGUJKC-HXUWFJFHSA-N -1 3 386.835 3.382 20 0 GGADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000277468912 1435306805 /nfs/dbraw/zinc/30/68/05/1435306805.db2.gz JPOLBNZZQMQGCN-UHFFFAOYSA-N -1 3 378.425 3.137 20 0 GGADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(OC)c(OC)c1 ZINC000277511182 1435309279 /nfs/dbraw/zinc/30/92/79/1435309279.db2.gz SLHIUFMTNDFTRP-OAHLLOKOSA-N -1 3 393.823 3.097 20 0 GGADHM COC(=O)c1cccc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)n1 ZINC000277520599 1435309964 /nfs/dbraw/zinc/30/99/64/1435309964.db2.gz KYYIXZYCNDMPDZ-CQSZACIVSA-N -1 3 394.456 3.440 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3csc4ccccc34)CC2)[n-]1 ZINC000277559417 1435312729 /nfs/dbraw/zinc/31/27/29/1435312729.db2.gz AATDBXPEQVYROR-UHFFFAOYSA-N -1 3 384.461 3.216 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3csc4ccccc34)CC2)n[n-]1 ZINC000277559417 1435312732 /nfs/dbraw/zinc/31/27/32/1435312732.db2.gz AATDBXPEQVYROR-UHFFFAOYSA-N -1 3 384.461 3.216 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)[n-]1 ZINC000277597645 1435315167 /nfs/dbraw/zinc/31/51/67/1435315167.db2.gz DYTWWIOLLNDFTE-UHFFFAOYSA-N -1 3 398.507 3.444 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)n[n-]1 ZINC000277597645 1435315168 /nfs/dbraw/zinc/31/51/68/1435315168.db2.gz DYTWWIOLLNDFTE-UHFFFAOYSA-N -1 3 398.507 3.444 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000277594677 1435315209 /nfs/dbraw/zinc/31/52/09/1435315209.db2.gz NQVJRTFGDHRNNG-UHFFFAOYSA-N -1 3 388.851 3.128 20 0 GGADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000277606447 1435316008 /nfs/dbraw/zinc/31/60/08/1435316008.db2.gz HLJCXRHRKROASJ-UHFFFAOYSA-N -1 3 390.440 3.063 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](CC)c3ccccc3)CC2)[n-]1 ZINC000277636546 1435318014 /nfs/dbraw/zinc/31/80/14/1435318014.db2.gz HFLLYWDQTMZNGM-HNNXBMFYSA-N -1 3 384.480 3.271 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](CC)c3ccccc3)CC2)n[n-]1 ZINC000277636546 1435318015 /nfs/dbraw/zinc/31/80/15/1435318015.db2.gz HFLLYWDQTMZNGM-HNNXBMFYSA-N -1 3 384.480 3.271 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](C)c3cccc(F)c3)CC2)[n-]1 ZINC000277692035 1435322343 /nfs/dbraw/zinc/32/23/43/1435322343.db2.gz LHNKQODFYKRGND-CYBMUJFWSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](C)c3cccc(F)c3)CC2)n[n-]1 ZINC000277692035 1435322345 /nfs/dbraw/zinc/32/23/45/1435322345.db2.gz LHNKQODFYKRGND-CYBMUJFWSA-N -1 3 388.443 3.020 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)NC[C@H](CC)c3ccccc3)CC2)[n-]1 ZINC000277702673 1435323024 /nfs/dbraw/zinc/32/30/24/1435323024.db2.gz DJIHODJAODUDQN-HNNXBMFYSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)NC[C@H](CC)c3ccccc3)CC2)n[n-]1 ZINC000277702673 1435323025 /nfs/dbraw/zinc/32/30/25/1435323025.db2.gz DJIHODJAODUDQN-HNNXBMFYSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)NC[C@@H](CC)c3ccccc3)CC2)[n-]1 ZINC000277702675 1435323081 /nfs/dbraw/zinc/32/30/81/1435323081.db2.gz DJIHODJAODUDQN-OAHLLOKOSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)NC[C@@H](CC)c3ccccc3)CC2)n[n-]1 ZINC000277702675 1435323083 /nfs/dbraw/zinc/32/30/83/1435323083.db2.gz DJIHODJAODUDQN-OAHLLOKOSA-N -1 3 399.495 3.064 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3occc3-c3ccccc3)CC2)[n-]1 ZINC000277735091 1435325518 /nfs/dbraw/zinc/32/55/18/1435325518.db2.gz OJCQXRBFHZBOOX-UHFFFAOYSA-N -1 3 394.431 3.261 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3occc3-c3ccccc3)CC2)n[n-]1 ZINC000277735091 1435325519 /nfs/dbraw/zinc/32/55/19/1435325519.db2.gz OJCQXRBFHZBOOX-UHFFFAOYSA-N -1 3 394.431 3.261 20 0 GGADHM CCC[C@H](NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277754197 1435327199 /nfs/dbraw/zinc/32/71/99/1435327199.db2.gz JNSYRNWLWKRLAM-KRWDZBQOSA-N -1 3 399.495 3.412 20 0 GGADHM CCC[C@H](NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277754197 1435327201 /nfs/dbraw/zinc/32/72/01/1435327201.db2.gz JNSYRNWLWKRLAM-KRWDZBQOSA-N -1 3 399.495 3.412 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)[n-]1 ZINC000277776599 1435329272 /nfs/dbraw/zinc/32/92/72/1435329272.db2.gz LWGWOXAFHXPIEU-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)n[n-]1 ZINC000277776599 1435329274 /nfs/dbraw/zinc/32/92/74/1435329274.db2.gz LWGWOXAFHXPIEU-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[n-]1 ZINC000277789536 1435330597 /nfs/dbraw/zinc/33/05/97/1435330597.db2.gz SKNTXDUSYAYPPP-UHFFFAOYSA-N -1 3 396.369 3.020 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n[n-]1 ZINC000277789536 1435330601 /nfs/dbraw/zinc/33/06/01/1435330601.db2.gz SKNTXDUSYAYPPP-UHFFFAOYSA-N -1 3 396.369 3.020 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](c3ccccc3)C(C)C)CC2)[n-]1 ZINC000277797842 1435331310 /nfs/dbraw/zinc/33/13/10/1435331310.db2.gz NXQOIRRXMMXARP-KRWDZBQOSA-N -1 3 399.495 3.268 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](c3ccccc3)C(C)C)CC2)n[n-]1 ZINC000277797842 1435331313 /nfs/dbraw/zinc/33/13/13/1435331313.db2.gz NXQOIRRXMMXARP-KRWDZBQOSA-N -1 3 399.495 3.268 20 0 GGADHM O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc([O-])ccc1Cl ZINC000277812309 1435332776 /nfs/dbraw/zinc/33/27/76/1435332776.db2.gz WLPDVFMUNLZSOI-UHFFFAOYSA-N -1 3 389.835 3.253 20 0 GGADHM O=C(Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)N1CCSCC1 ZINC000277811406 1435332800 /nfs/dbraw/zinc/33/28/00/1435332800.db2.gz BRPYMKWNIZANKN-UHFFFAOYSA-N -1 3 395.484 3.151 20 0 GGADHM CC[C@@H](C)Sc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)c(C(F)(F)F)c1 ZINC000277824852 1435333975 /nfs/dbraw/zinc/33/39/75/1435333975.db2.gz YOCKVPBNFAIAHF-MRVPVSSYSA-N -1 3 390.387 3.184 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[n-]1 ZINC000277831149 1435334427 /nfs/dbraw/zinc/33/44/27/1435334427.db2.gz RDFMPPSLUXKIHM-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n[n-]1 ZINC000277831149 1435334430 /nfs/dbraw/zinc/33/44/30/1435334430.db2.gz RDFMPPSLUXKIHM-UHFFFAOYSA-N -1 3 391.859 3.355 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)[n-]1 ZINC000277844560 1435335517 /nfs/dbraw/zinc/33/55/17/1435335517.db2.gz KYCLBKGVPOFUHC-UHFFFAOYSA-N -1 3 377.832 3.046 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n[n-]1 ZINC000277844560 1435335521 /nfs/dbraw/zinc/33/55/21/1435335521.db2.gz KYCLBKGVPOFUHC-UHFFFAOYSA-N -1 3 377.832 3.046 20 0 GGADHM CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000277861499 1435337153 /nfs/dbraw/zinc/33/71/53/1435337153.db2.gz YCQWCSNVYQUVMJ-KRWDZBQOSA-N -1 3 389.473 3.224 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)[n-]1 ZINC000277870676 1435337982 /nfs/dbraw/zinc/33/79/82/1435337982.db2.gz VDLRUGMXDZDCSX-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)n[n-]1 ZINC000277870676 1435337987 /nfs/dbraw/zinc/33/79/87/1435337987.db2.gz VDLRUGMXDZDCSX-UHFFFAOYSA-N -1 3 395.822 3.185 20 0 GGADHM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000277895710 1435340337 /nfs/dbraw/zinc/34/03/37/1435340337.db2.gz FXXPSFSJRPMVSZ-BMIGLBTASA-N -1 3 382.386 3.188 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](C)c3cccc(C)c3C)CC2)[n-]1 ZINC000277988769 1435348159 /nfs/dbraw/zinc/34/81/59/1435348159.db2.gz GQVWBLPFFDJCJO-HNNXBMFYSA-N -1 3 399.495 3.248 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](C)c3cccc(C)c3C)CC2)n[n-]1 ZINC000277988769 1435348161 /nfs/dbraw/zinc/34/81/61/1435348161.db2.gz GQVWBLPFFDJCJO-HNNXBMFYSA-N -1 3 399.495 3.248 20 0 GGADHM CC1(C)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000278087452 1435357785 /nfs/dbraw/zinc/35/77/85/1435357785.db2.gz OMBZTERAVUJADW-UHFFFAOYSA-N -1 3 389.473 3.224 20 0 GGADHM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(F)(F)F ZINC000278096549 1435358803 /nfs/dbraw/zinc/35/88/03/1435358803.db2.gz JZFCZWIXOFAPKJ-ZUZCIYMTSA-N -1 3 382.386 3.188 20 0 GGADHM CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000278112865 1435360753 /nfs/dbraw/zinc/36/07/53/1435360753.db2.gz REHVMNISFWGJEJ-FZMZJTMJSA-N -1 3 394.415 3.077 20 0 GGADHM CCCCOCCOCc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278121392 1435361812 /nfs/dbraw/zinc/36/18/12/1435361812.db2.gz MDKBCUDCGPXJFL-OAHLLOKOSA-N -1 3 388.386 3.397 20 0 GGADHM CC(C)(C)OC(=O)N1CCc2cc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)ccc21 ZINC000278121357 1435361844 /nfs/dbraw/zinc/36/18/44/1435361844.db2.gz MCWUKNCPMYBJLF-LBPRGKRZSA-N -1 3 399.369 3.361 20 0 GGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CC3CCC3)NC(C)=O)c2)n1 ZINC000278184282 1435367345 /nfs/dbraw/zinc/36/73/45/1435367345.db2.gz CRZQIIDDVCHCAW-GOSISDBHSA-N -1 3 382.464 3.045 20 0 GGADHM O=c1[n-]nc(SCc2cncc(OCc3ccccc3)c2)n1C[C@@H]1CCCO1 ZINC000278238651 1435372520 /nfs/dbraw/zinc/37/25/20/1435372520.db2.gz LDYQXXXNGRETHY-KRWDZBQOSA-N -1 3 398.488 3.017 20 0 GGADHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1OCC(F)(F)F ZINC000278324926 1435380126 /nfs/dbraw/zinc/38/01/26/1435380126.db2.gz XVHKPPLRMZHPOT-QMMMGPOBSA-N -1 3 386.248 3.014 20 0 GGADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000278471268 1435393448 /nfs/dbraw/zinc/39/34/48/1435393448.db2.gz WUEOYNOTXPTBFV-LBPRGKRZSA-N -1 3 398.442 3.462 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)[n-]1 ZINC000278616744 1435406133 /nfs/dbraw/zinc/40/61/33/1435406133.db2.gz FSVZRDFHJQMYJJ-QGZVFWFLSA-N -1 3 384.480 3.127 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)n[n-]1 ZINC000278616744 1435406136 /nfs/dbraw/zinc/40/61/36/1435406136.db2.gz FSVZRDFHJQMYJJ-QGZVFWFLSA-N -1 3 384.480 3.127 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c(=O)[n-]1 ZINC000278740979 1435419172 /nfs/dbraw/zinc/41/91/72/1435419172.db2.gz UEHRHYLVWPDEFF-UHFFFAOYSA-N -1 3 391.884 3.486 20 0 GGADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C ZINC000278770573 1435422098 /nfs/dbraw/zinc/42/20/98/1435422098.db2.gz SPQDUDYLJPHXHP-LBPRGKRZSA-N -1 3 389.477 3.261 20 0 GGADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)[n-]1 ZINC000278821861 1435427045 /nfs/dbraw/zinc/42/70/45/1435427045.db2.gz PTEFEFJKINFAOF-OAHLLOKOSA-N -1 3 384.480 3.190 20 0 GGADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)n[n-]1 ZINC000278821861 1435427047 /nfs/dbraw/zinc/42/70/47/1435427047.db2.gz PTEFEFJKINFAOF-OAHLLOKOSA-N -1 3 384.480 3.190 20 0 GGADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278848837 1435430841 /nfs/dbraw/zinc/43/08/41/1435430841.db2.gz DUYKFJMOPKLWBB-ZDUSSCGKSA-N -1 3 381.835 3.044 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCc2nc(-c3ccccc3F)cs2)c(=O)[n-]1 ZINC000278896400 1435437150 /nfs/dbraw/zinc/43/71/50/1435437150.db2.gz IKMYXGYBIITFSP-UHFFFAOYSA-N -1 3 386.452 3.311 20 0 GGADHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000278941664 1435442786 /nfs/dbraw/zinc/44/27/86/1435442786.db2.gz NOKAFGFVQFHINP-KRWDZBQOSA-N -1 3 377.872 3.231 20 0 GGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC[C@H]2CCSC2)CC1 ZINC000279297770 1435483348 /nfs/dbraw/zinc/48/33/48/1435483348.db2.gz NANCGOATJXZAFB-GFCCVEGCSA-N -1 3 397.928 3.159 20 0 GGADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCSC(C)(C)CC2)c1 ZINC000279433029 1435498655 /nfs/dbraw/zinc/49/86/55/1435498655.db2.gz ZCVIVCGCCYNRGS-UHFFFAOYSA-N -1 3 389.477 3.299 20 0 GGADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CCCN1C1CC1 ZINC000279481555 1435504226 /nfs/dbraw/zinc/50/42/26/1435504226.db2.gz KWDCYCIEJPCYPJ-LJQANCHMSA-N -1 3 385.489 3.053 20 0 GGADHM COc1cc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc(OC)c1O ZINC000279555906 1435512760 /nfs/dbraw/zinc/51/27/60/1435512760.db2.gz UUAKJXWOCHOQDV-UHFFFAOYSA-N -1 3 385.338 3.219 20 0 GGADHM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCCN1C1CC1 ZINC000279571889 1435514542 /nfs/dbraw/zinc/51/45/42/1435514542.db2.gz SYEOTSQIVNONGR-LJQANCHMSA-N -1 3 385.489 3.053 20 0 GGADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCN1C1CC1 ZINC000279682810 1435528888 /nfs/dbraw/zinc/52/88/88/1435528888.db2.gz HJRRYNJBYFKKBE-LJQANCHMSA-N -1 3 385.489 3.053 20 0 GGADHM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1 ZINC000279982240 1435572128 /nfs/dbraw/zinc/57/21/28/1435572128.db2.gz QABIUQHQVHWKCO-UHFFFAOYSA-N -1 3 376.478 3.044 20 0 GGADHM C[C@@]1(O)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000280526998 1435673563 /nfs/dbraw/zinc/67/35/63/1435673563.db2.gz JJRHFSQSAZZPOJ-NFBKMPQASA-N -1 3 396.487 3.017 20 0 GGADHM Cc1nc(C)c(CCC(=O)NCCc2cccc(OCC(F)(F)F)c2)c(=O)[n-]1 ZINC000280538836 1435675927 /nfs/dbraw/zinc/67/59/27/1435675927.db2.gz SPPTVCDFWUUYFC-UHFFFAOYSA-N -1 3 397.397 3.032 20 0 GGADHM Cc1ccc(NC(=O)CC(C)(C)O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000280643166 1435696087 /nfs/dbraw/zinc/69/60/87/1435696087.db2.gz RUZOPAAAABLLPW-UHFFFAOYSA-N -1 3 380.441 3.034 20 0 GGADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC000280677477 1435702211 /nfs/dbraw/zinc/70/22/11/1435702211.db2.gz VFWGWFXNLDLZRU-LJQANCHMSA-N -1 3 396.443 3.089 20 0 GGADHM COc1cc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc(OC)c1[O-] ZINC000280710349 1435707559 /nfs/dbraw/zinc/70/75/59/1435707559.db2.gz XUHIGBVUXNMSBL-UHFFFAOYSA-N -1 3 399.365 3.323 20 0 GGADHM C[C@@H]1CN(Cc2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2)C[C@H](C)O1 ZINC000280750740 1435714186 /nfs/dbraw/zinc/71/41/86/1435714186.db2.gz KMFOYCOECZSWRS-OKILXGFUSA-N -1 3 390.430 3.210 20 0 GGADHM C[C@H](CCc1ccccc1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000280953025 1435746805 /nfs/dbraw/zinc/74/68/05/1435746805.db2.gz HPMANLSCRLLUPC-CQSZACIVSA-N -1 3 385.430 3.108 20 0 GGADHM C[C@@H](CCc1ccccc1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000280953024 1435746944 /nfs/dbraw/zinc/74/69/44/1435746944.db2.gz HPMANLSCRLLUPC-AWEZNQCLSA-N -1 3 385.430 3.108 20 0 GGADHM CC1([C@H]2CCCN(Cc3cc(=O)oc4cc([O-])c(Cl)cc34)C2)OCCO1 ZINC000281067668 1435767302 /nfs/dbraw/zinc/76/73/02/1435767302.db2.gz SPECXMWBOBOVCT-ZDUSSCGKSA-N -1 3 379.840 3.127 20 0 GGADHM CCCCc1nc(NC(=O)C2CCC(OCCOC)CC2)c(C(=O)OCC)[n-]1 ZINC000281121342 1435778719 /nfs/dbraw/zinc/77/87/19/1435778719.db2.gz VIHLGFAWYUHPDD-UHFFFAOYSA-N -1 3 395.500 3.089 20 0 GGADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1cccnc1)c1ccc(F)cc1C(F)(F)F ZINC000281255667 1435801068 /nfs/dbraw/zinc/80/10/68/1435801068.db2.gz VCDYCGMIIAFOAF-DZGCQCFKSA-N -1 3 390.358 3.048 20 0 GGADHM Cn1ccc2ccc(NC(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)cc21 ZINC000281321129 1435803759 /nfs/dbraw/zinc/80/37/59/1435803759.db2.gz JFXPSFXSZBAHIW-UHFFFAOYSA-N -1 3 382.386 3.101 20 0 GGADHM Cc1ccccc1-c1noc([C@@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000281365228 1435805765 /nfs/dbraw/zinc/80/57/65/1435805765.db2.gz OBQPSWJTVLAVRI-CYBMUJFWSA-N -1 3 396.413 3.497 20 0 GGADHM C[C@H](CCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281387062 1435806771 /nfs/dbraw/zinc/80/67/71/1435806771.db2.gz ZHRUZFTZZVZVFY-CQSZACIVSA-N -1 3 385.430 3.280 20 0 GGADHM O=C([N-]CC1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1)C(F)(F)F ZINC000281473411 1435810405 /nfs/dbraw/zinc/81/04/05/1435810405.db2.gz USMIBEATZFKRCQ-UHFFFAOYSA-N -1 3 394.397 3.400 20 0 GGADHM COc1ccccc1[C@@H](C)CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281610358 1435815566 /nfs/dbraw/zinc/81/55/66/1435815566.db2.gz FAYQVEQWVVOYHZ-ZDUSSCGKSA-N -1 3 386.414 3.106 20 0 GGADHM Cc1ccc2cc(C(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)ccc2n1 ZINC000281630023 1435816267 /nfs/dbraw/zinc/81/62/67/1435816267.db2.gz GLERHEIWVJTQGI-UHFFFAOYSA-N -1 3 379.382 3.074 20 0 GGADHM C[C@H](CCOc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281632571 1435816353 /nfs/dbraw/zinc/81/63/53/1435816353.db2.gz GSDVDRGBLXZMQU-CQSZACIVSA-N -1 3 386.414 3.009 20 0 GGADHM Cc1ccccc1C1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCC1 ZINC000281664266 1435817635 /nfs/dbraw/zinc/81/76/35/1435817635.db2.gz JEBKUALUYBCCKW-UHFFFAOYSA-N -1 3 382.426 3.334 20 0 GGADHM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281664337 1435817641 /nfs/dbraw/zinc/81/76/41/1435817641.db2.gz JFWZIAZXKARPMA-LBPRGKRZSA-N -1 3 390.833 3.436 20 0 GGADHM C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281664334 1435817671 /nfs/dbraw/zinc/81/76/71/1435817671.db2.gz JFWZIAZXKARPMA-GFCCVEGCSA-N -1 3 390.833 3.436 20 0 GGADHM O=C([N-]CC1CCN(C(=O)C2(Cc3ccc(F)cc3)CC2)CC1)C(F)(F)F ZINC000281716333 1435819357 /nfs/dbraw/zinc/81/93/57/1435819357.db2.gz NEHZRJQHIMUBNU-UHFFFAOYSA-N -1 3 386.389 3.066 20 0 GGADHM O=C([N-]CC1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1)C(F)(F)F ZINC000281727199 1435819773 /nfs/dbraw/zinc/81/97/73/1435819773.db2.gz NVKUXXRSHRJKJM-UHFFFAOYSA-N -1 3 397.372 3.352 20 0 GGADHM CC[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000281777721 1435821649 /nfs/dbraw/zinc/82/16/49/1435821649.db2.gz UWSAAHUYHIZMEK-LEWJYISDSA-N -1 3 396.487 3.281 20 0 GGADHM CC[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000281777725 1435821682 /nfs/dbraw/zinc/82/16/82/1435821682.db2.gz UWSAAHUYHIZMEK-SFTDATJTSA-N -1 3 396.487 3.281 20 0 GGADHM CCOc1ccc(/C=C/C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281802994 1435822592 /nfs/dbraw/zinc/82/25/92/1435822592.db2.gz TVASSNRGVSRAAT-VMPITWQZSA-N -1 3 384.398 3.016 20 0 GGADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000281831491 1435823564 /nfs/dbraw/zinc/82/35/64/1435823564.db2.gz OXOLOELXOLRTIC-CYBMUJFWSA-N -1 3 376.407 3.037 20 0 GGADHM Cc1cc(C)cc(C2(C(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)CC2)c1 ZINC000281839427 1435823781 /nfs/dbraw/zinc/82/37/81/1435823781.db2.gz WYRAZBQAKTVIOF-UHFFFAOYSA-N -1 3 382.426 3.252 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCC(F)(F)C2)cc1OC ZINC000282012429 1435830899 /nfs/dbraw/zinc/83/08/99/1435830899.db2.gz PNMQOQLUAALZTJ-NSHDSACASA-N -1 3 391.440 3.014 20 0 GGADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC(F)(F)C2)cc1OC ZINC000282012428 1435830952 /nfs/dbraw/zinc/83/09/52/1435830952.db2.gz PNMQOQLUAALZTJ-LLVKDONJSA-N -1 3 391.440 3.014 20 0 GGADHM COc1ccc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000282056860 1435832888 /nfs/dbraw/zinc/83/28/88/1435832888.db2.gz XFIJYDDAUSVHFY-AWEZNQCLSA-N -1 3 378.469 3.168 20 0 GGADHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1c1ccccc1 ZINC000282123658 1435835547 /nfs/dbraw/zinc/83/55/47/1435835547.db2.gz GUGIXYRVRMOKPI-ZWKOTPCHSA-N -1 3 398.459 3.231 20 0 GGADHM COc1cc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc(OC)c1[O-] ZINC000282236062 1435839473 /nfs/dbraw/zinc/83/94/73/1435839473.db2.gz UQTSYOBLHWLITI-HXUWFJFHSA-N -1 3 391.851 3.194 20 0 GGADHM O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc(F)cc2n[n-]nc21 ZINC000282244509 1435839875 /nfs/dbraw/zinc/83/98/75/1435839875.db2.gz ARGDVGMPKYZCRX-UHFFFAOYSA-N -1 3 379.395 3.039 20 0 GGADHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000282273679 1435841193 /nfs/dbraw/zinc/84/11/93/1435841193.db2.gz DKKMKDIHAUCKQA-QFSBIZTOSA-N -1 3 380.872 3.036 20 0 GGADHM COc1ccc(CN(CC2CC2)C(=O)c2cc(NC(C)=O)ccc2[O-])c(OC)c1 ZINC000282275319 1435841224 /nfs/dbraw/zinc/84/12/24/1435841224.db2.gz XRBGLQIFAYBVET-UHFFFAOYSA-N -1 3 398.459 3.420 20 0 GGADHM Cc1cc(Cl)nc(CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000282376650 1435845004 /nfs/dbraw/zinc/84/50/04/1435845004.db2.gz YMVPXKYRCUGRNO-UHFFFAOYSA-N -1 3 397.866 3.158 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c(=O)[n-]1 ZINC000282438710 1435847183 /nfs/dbraw/zinc/84/71/83/1435847183.db2.gz UWZSLQFIUJJWIM-UHFFFAOYSA-N -1 3 387.333 3.451 20 0 GGADHM CCCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1OC ZINC000282804271 1435861042 /nfs/dbraw/zinc/86/10/42/1435861042.db2.gz NMLBHGWSYXNMFT-UHFFFAOYSA-N -1 3 394.493 3.476 20 0 GGADHM O=C(Nc1nc(C2CCC2)cs1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000283054826 1435872317 /nfs/dbraw/zinc/87/23/17/1435872317.db2.gz RITKTRWVGIWFPV-UHFFFAOYSA-N -1 3 386.477 3.106 20 0 GGADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283150136 1435876884 /nfs/dbraw/zinc/87/68/84/1435876884.db2.gz VWAUUAZYQQZBPB-UHFFFAOYSA-N -1 3 399.545 3.128 20 0 GGADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c(=O)[n-]1 ZINC000283207434 1435879465 /nfs/dbraw/zinc/87/94/65/1435879465.db2.gz NQUOEOVQTCGIAG-UHFFFAOYSA-N -1 3 395.463 3.468 20 0 GGADHM O=C(c1ccc(O)cc1[O-])N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000283750866 1435915633 /nfs/dbraw/zinc/91/56/33/1435915633.db2.gz ISIALGWORRBZEA-UHFFFAOYSA-N -1 3 397.349 3.120 20 0 GGADHM COc1cc(-c2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc(OC)c1[O-] ZINC000283845507 1435935715 /nfs/dbraw/zinc/93/57/15/1435935715.db2.gz KCBCCIPLKSNQAV-UHFFFAOYSA-N -1 3 379.413 3.219 20 0 GGADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000284691551 1436040743 /nfs/dbraw/zinc/04/07/43/1436040743.db2.gz CMXQWWQMUQFXJR-ZDUSSCGKSA-N -1 3 379.382 3.355 20 0 GGADHM CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821613426 1441453438 /nfs/dbraw/zinc/45/34/38/1441453438.db2.gz NCQYMUBMCPMPRD-INIZCTEOSA-N -1 3 377.370 3.051 20 0 GGADHM COc1cc([C@@H](C)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc(OC)c1OC ZINC000826177678 1441460285 /nfs/dbraw/zinc/46/02/85/1441460285.db2.gz QKVSYTDSHBPHIE-CYBMUJFWSA-N -1 3 395.463 3.232 20 0 GGADHM COc1cc([C@@H](C)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc(OC)c1OC ZINC000826177678 1441460287 /nfs/dbraw/zinc/46/02/87/1441460287.db2.gz QKVSYTDSHBPHIE-CYBMUJFWSA-N -1 3 395.463 3.232 20 0 GGADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C1CC1 ZINC000820862236 1441471233 /nfs/dbraw/zinc/47/12/33/1441471233.db2.gz PWVJMXBVZZWBQE-PWSUYJOCSA-N -1 3 376.530 3.383 20 0 GGADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CC1 ZINC000820862236 1441471235 /nfs/dbraw/zinc/47/12/35/1441471235.db2.gz PWVJMXBVZZWBQE-PWSUYJOCSA-N -1 3 376.530 3.383 20 0 GGADHM CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000824184836 1441473293 /nfs/dbraw/zinc/47/32/93/1441473293.db2.gz LZENTTYGOZQNKK-CYBMUJFWSA-N -1 3 382.443 3.451 20 0 GGADHM CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824184836 1441473294 /nfs/dbraw/zinc/47/32/94/1441473294.db2.gz LZENTTYGOZQNKK-CYBMUJFWSA-N -1 3 382.443 3.451 20 0 GGADHM Fc1c(CN2CCC(c3nc4ccccc4[nH]3)CC2)cccc1-c1nn[n-]n1 ZINC000826370769 1441474172 /nfs/dbraw/zinc/47/41/72/1441474172.db2.gz GQQZWXZDVYROPZ-UHFFFAOYSA-N -1 3 377.427 3.262 20 0 GGADHM Fc1c(CN2CCC(c3nc4ccccc4[nH]3)CC2)cccc1-c1nnn[n-]1 ZINC000826370769 1441474173 /nfs/dbraw/zinc/47/41/73/1441474173.db2.gz GQQZWXZDVYROPZ-UHFFFAOYSA-N -1 3 377.427 3.262 20 0 GGADHM CSc1cccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983433 1441489224 /nfs/dbraw/zinc/48/92/24/1441489224.db2.gz HNGVXDRSEZUNBB-OLZOCXBDSA-N -1 3 382.493 3.266 20 0 GGADHM CSc1cccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983433 1441489227 /nfs/dbraw/zinc/48/92/27/1441489227.db2.gz HNGVXDRSEZUNBB-OLZOCXBDSA-N -1 3 382.493 3.266 20 0 GGADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000820086757 1441522825 /nfs/dbraw/zinc/52/28/25/1441522825.db2.gz DQSIVOIETWWANQ-UHFFFAOYSA-N -1 3 388.479 3.106 20 0 GGADHM CC(C)N1CC[C@H](N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1=O ZINC000824547037 1441586330 /nfs/dbraw/zinc/58/63/30/1441586330.db2.gz MIURDPVUCPZKBF-YWZLYKJASA-N -1 3 390.491 3.194 20 0 GGADHM CC(C)N1CC[C@H](N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1=O ZINC000824547037 1441586331 /nfs/dbraw/zinc/58/63/31/1441586331.db2.gz MIURDPVUCPZKBF-YWZLYKJASA-N -1 3 390.491 3.194 20 0 GGADHM Fc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c(-c2nn[n-]n2)c1 ZINC000826374613 1441661339 /nfs/dbraw/zinc/66/13/39/1441661339.db2.gz FZSVYEMIEFEGNV-UHFFFAOYSA-N -1 3 395.364 3.058 20 0 GGADHM Fc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c(-c2nnn[n-]2)c1 ZINC000826374613 1441661347 /nfs/dbraw/zinc/66/13/47/1441661347.db2.gz FZSVYEMIEFEGNV-UHFFFAOYSA-N -1 3 395.364 3.058 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826282685 1441666607 /nfs/dbraw/zinc/66/66/07/1441666607.db2.gz AKLQJONOAGBQJB-JKSUJKDBSA-N -1 3 378.480 3.012 20 0 GGADHM Cc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826282685 1441666609 /nfs/dbraw/zinc/66/66/09/1441666609.db2.gz AKLQJONOAGBQJB-JKSUJKDBSA-N -1 3 378.480 3.012 20 0 GGADHM Cc1cccc(C(=O)N2CCCN([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737382573 1441670193 /nfs/dbraw/zinc/67/01/93/1441670193.db2.gz YMQVZTIUELKNIN-KRWDZBQOSA-N -1 3 390.491 3.084 20 0 GGADHM Cc1cccc(C(=O)N2CCCN([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737382573 1441670197 /nfs/dbraw/zinc/67/01/97/1441670197.db2.gz YMQVZTIUELKNIN-KRWDZBQOSA-N -1 3 390.491 3.084 20 0 GGADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826184265 1441672383 /nfs/dbraw/zinc/67/23/83/1441672383.db2.gz QMKFXZAPTFKYQG-KXBFYZLASA-N -1 3 379.464 3.133 20 0 GGADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826184265 1441672387 /nfs/dbraw/zinc/67/23/87/1441672387.db2.gz QMKFXZAPTFKYQG-KXBFYZLASA-N -1 3 379.464 3.133 20 0 GGADHM Clc1cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc2c1OCCO2 ZINC000826351146 1441714520 /nfs/dbraw/zinc/71/45/20/1441714520.db2.gz ZAFNAFZEFAXFMU-UHFFFAOYSA-N -1 3 383.839 3.070 20 0 GGADHM O=C(CC1CCCCCC1)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822941171 1441720918 /nfs/dbraw/zinc/72/09/18/1441720918.db2.gz SEZZQCHTOYSFES-UHFFFAOYSA-N -1 3 396.539 3.262 20 0 GGADHM O=C(CC1CCCCCC1)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822941171 1441720923 /nfs/dbraw/zinc/72/09/23/1441720923.db2.gz SEZZQCHTOYSFES-UHFFFAOYSA-N -1 3 396.539 3.262 20 0 GGADHM C[C@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000824539437 1441729483 /nfs/dbraw/zinc/72/94/83/1441729483.db2.gz OAVOJKFPCGYPEF-HNNXBMFYSA-N -1 3 388.475 3.333 20 0 GGADHM C[C@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000824539437 1441729487 /nfs/dbraw/zinc/72/94/87/1441729487.db2.gz OAVOJKFPCGYPEF-HNNXBMFYSA-N -1 3 388.475 3.333 20 0 GGADHM CCOCOc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000825605132 1441731973 /nfs/dbraw/zinc/73/19/73/1441731973.db2.gz QXYWJGJZOFDSJT-UHFFFAOYSA-N -1 3 379.464 3.404 20 0 GGADHM CCOCOc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000825605132 1441731976 /nfs/dbraw/zinc/73/19/76/1441731976.db2.gz QXYWJGJZOFDSJT-UHFFFAOYSA-N -1 3 379.464 3.404 20 0 GGADHM COc1ccc([C@@H](CNc2ccc(-c3nn[n-]n3)cc2F)N2CCCC2)cc1 ZINC000737076277 1441772369 /nfs/dbraw/zinc/77/23/69/1441772369.db2.gz PSDYKCGXZHRSOS-LJQANCHMSA-N -1 3 382.443 3.263 20 0 GGADHM COc1ccc([C@@H](CNc2ccc(-c3nnn[n-]3)cc2F)N2CCCC2)cc1 ZINC000737076277 1441772374 /nfs/dbraw/zinc/77/23/74/1441772374.db2.gz PSDYKCGXZHRSOS-LJQANCHMSA-N -1 3 382.443 3.263 20 0 GGADHM Cc1cccc([C@H](NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(C)(C)C)c1 ZINC000826296838 1441796901 /nfs/dbraw/zinc/79/69/01/1441796901.db2.gz KWYAKSAPDKBEGR-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM Cc1cccc([C@H](NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(C)(C)C)c1 ZINC000826296838 1441796907 /nfs/dbraw/zinc/79/69/07/1441796907.db2.gz KWYAKSAPDKBEGR-FQEVSTJZSA-N -1 3 392.507 3.168 20 0 GGADHM COC(=O)c1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1F ZINC000821668690 1441806192 /nfs/dbraw/zinc/80/61/92/1441806192.db2.gz DTTZSZLJJTVZNT-UHFFFAOYSA-N -1 3 397.454 3.451 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)N(C)C)cc1 ZINC000822230683 1441811005 /nfs/dbraw/zinc/81/10/05/1441811005.db2.gz NMNWYVAUVQENRM-QGZVFWFLSA-N -1 3 399.886 3.253 20 0 GGADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)N(C)C)cc1 ZINC000822230683 1441811007 /nfs/dbraw/zinc/81/10/07/1441811007.db2.gz NMNWYVAUVQENRM-QGZVFWFLSA-N -1 3 399.886 3.253 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826341657 1441860495 /nfs/dbraw/zinc/86/04/95/1441860495.db2.gz MSUHEZDZJAOPJQ-YVEFUNNKSA-N -1 3 380.452 3.144 20 0 GGADHM Cc1oc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826341657 1441860500 /nfs/dbraw/zinc/86/05/00/1441860500.db2.gz MSUHEZDZJAOPJQ-YVEFUNNKSA-N -1 3 380.452 3.144 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949528 1441897471 /nfs/dbraw/zinc/89/74/71/1441897471.db2.gz YALWXQTVNFXFEE-GXTWGEPZSA-N -1 3 392.529 3.053 20 0 GGADHM C[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949528 1441897474 /nfs/dbraw/zinc/89/74/74/1441897474.db2.gz YALWXQTVNFXFEE-GXTWGEPZSA-N -1 3 392.529 3.053 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826323881 1441933446 /nfs/dbraw/zinc/93/34/46/1441933446.db2.gz VPKSZPAUCJKKJO-BBRMVZONSA-N -1 3 386.525 3.481 20 0 GGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826323881 1441933447 /nfs/dbraw/zinc/93/34/47/1441933447.db2.gz VPKSZPAUCJKKJO-BBRMVZONSA-N -1 3 386.525 3.481 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820727881 1441934770 /nfs/dbraw/zinc/93/47/70/1441934770.db2.gz QFCZKOPDQXUJDU-CQSZACIVSA-N -1 3 383.887 3.016 20 0 GGADHM C[C@@H]1CCN(Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820727881 1441934772 /nfs/dbraw/zinc/93/47/72/1441934772.db2.gz QFCZKOPDQXUJDU-CQSZACIVSA-N -1 3 383.887 3.016 20 0 GGADHM COc1ccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1-c1nn[n-]n1 ZINC000826194238 1441948450 /nfs/dbraw/zinc/94/84/50/1441948450.db2.gz GGMUOXAGFRLGQA-INIZCTEOSA-N -1 3 395.438 3.109 20 0 GGADHM COc1ccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1-c1nnn[n-]1 ZINC000826194238 1441948451 /nfs/dbraw/zinc/94/84/51/1441948451.db2.gz GGMUOXAGFRLGQA-INIZCTEOSA-N -1 3 395.438 3.109 20 0 GGADHM O=C(CCN1CC[C@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822964409 1442002184 /nfs/dbraw/zinc/00/21/84/1442002184.db2.gz IFBAHMYNKZQUHW-KRWDZBQOSA-N -1 3 382.855 3.296 20 0 GGADHM COc1cccc([C@H]2C[C@H](C)CN2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826215310 1442018858 /nfs/dbraw/zinc/01/88/58/1442018858.db2.gz LOIRDSASVPXPPV-IFXJQAMLSA-N -1 3 379.464 3.467 20 0 GGADHM Fc1ccccc1COC1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826378305 1442065766 /nfs/dbraw/zinc/06/57/66/1442065766.db2.gz DHPVTUXRWXJVJI-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1ccc(CCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000822767073 1442101012 /nfs/dbraw/zinc/10/10/12/1442101012.db2.gz VQGDLMVPOIVSRN-UHFFFAOYSA-N -1 3 385.418 3.231 20 0 GGADHM Fc1ccc(CCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000822767073 1442101014 /nfs/dbraw/zinc/10/10/14/1442101014.db2.gz VQGDLMVPOIVSRN-UHFFFAOYSA-N -1 3 385.418 3.231 20 0 GGADHM O=C(CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)Nc1ccc(Cl)cc1 ZINC000826412545 1442120853 /nfs/dbraw/zinc/12/08/53/1442120853.db2.gz SACYTFAEWXREHD-QGZVFWFLSA-N -1 3 382.855 3.126 20 0 GGADHM O=C(CN[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)Nc1ccc(Cl)cc1 ZINC000826412545 1442120857 /nfs/dbraw/zinc/12/08/57/1442120857.db2.gz SACYTFAEWXREHD-QGZVFWFLSA-N -1 3 382.855 3.126 20 0 GGADHM CC(C)(CCCc1ccccc1)CN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735665119 1442148758 /nfs/dbraw/zinc/14/87/58/1442148758.db2.gz SCPXVEICIYFAHK-LJQANCHMSA-N -1 3 392.507 3.032 20 0 GGADHM CC(C)(CCCc1ccccc1)CN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735665119 1442148764 /nfs/dbraw/zinc/14/87/64/1442148764.db2.gz SCPXVEICIYFAHK-LJQANCHMSA-N -1 3 392.507 3.032 20 0 GGADHM Fc1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737661665 1442232768 /nfs/dbraw/zinc/23/27/68/1442232768.db2.gz ZZYZZJXEXIMFNU-UHFFFAOYSA-N -1 3 386.862 3.372 20 0 GGADHM Fc1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737661665 1442232772 /nfs/dbraw/zinc/23/27/72/1442232772.db2.gz ZZYZZJXEXIMFNU-UHFFFAOYSA-N -1 3 386.862 3.372 20 0 GGADHM COc1ccc(CNc2ccccc2CN2CCSCC2)cc1-c1nn[n-]n1 ZINC000821824887 1442299327 /nfs/dbraw/zinc/29/93/27/1442299327.db2.gz PTHPPDMDUPXZTA-UHFFFAOYSA-N -1 3 396.520 3.036 20 0 GGADHM COc1ccc(CNc2ccccc2CN2CCSCC2)cc1-c1nnn[n-]1 ZINC000821824887 1442299331 /nfs/dbraw/zinc/29/93/31/1442299331.db2.gz PTHPPDMDUPXZTA-UHFFFAOYSA-N -1 3 396.520 3.036 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000823698722 1442311062 /nfs/dbraw/zinc/31/10/62/1442311062.db2.gz QTBRPTFIRTWIND-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000823698722 1442311070 /nfs/dbraw/zinc/31/10/70/1442311070.db2.gz QTBRPTFIRTWIND-IBGZPJMESA-N -1 3 385.418 3.091 20 0 GGADHM CCCO[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000825338707 1442316876 /nfs/dbraw/zinc/31/68/76/1442316876.db2.gz FPKHIBOMKNQGQS-OAHLLOKOSA-N -1 3 394.317 3.410 20 0 GGADHM CCCO[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000825338707 1442316882 /nfs/dbraw/zinc/31/68/82/1442316882.db2.gz FPKHIBOMKNQGQS-OAHLLOKOSA-N -1 3 394.317 3.410 20 0 GGADHM O[C@@H](CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1)c1ccco1 ZINC000826502700 1442352278 /nfs/dbraw/zinc/35/22/78/1442352278.db2.gz IZPPFRZFAJQXET-INIZCTEOSA-N -1 3 381.461 3.257 20 0 GGADHM O[C@@H](CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1)c1ccco1 ZINC000826502700 1442352281 /nfs/dbraw/zinc/35/22/81/1442352281.db2.gz IZPPFRZFAJQXET-INIZCTEOSA-N -1 3 381.461 3.257 20 0 GGADHM CCc1nn(C)c(CC)c1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825754537 1442378213 /nfs/dbraw/zinc/37/82/13/1442378213.db2.gz BNJWEZOEKHKZSL-UHFFFAOYSA-N -1 3 377.496 3.014 20 0 GGADHM CCc1nn(C)c(CC)c1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825754537 1442378217 /nfs/dbraw/zinc/37/82/17/1442378217.db2.gz BNJWEZOEKHKZSL-UHFFFAOYSA-N -1 3 377.496 3.014 20 0 GGADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CN(CC3CCCCC3)C3CC3)o2)c1 ZINC000823738179 1442406683 /nfs/dbraw/zinc/40/66/83/1442406683.db2.gz PFVLAJRUNPDRCC-UHFFFAOYSA-N -1 3 379.468 3.461 20 0 GGADHM CC(C)c1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000735925099 1442445048 /nfs/dbraw/zinc/44/50/48/1442445048.db2.gz XYHGFQOYRNCDPY-FOIQADDNSA-N -1 3 390.491 3.446 20 0 GGADHM CC(C)c1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000735925099 1442445051 /nfs/dbraw/zinc/44/50/51/1442445051.db2.gz XYHGFQOYRNCDPY-FOIQADDNSA-N -1 3 390.491 3.446 20 0 GGADHM COc1ccc(CNCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OCC(C)C ZINC000826202944 1442465039 /nfs/dbraw/zinc/46/50/39/1442465039.db2.gz TVWCDFKYKFDQCF-UHFFFAOYSA-N -1 3 397.479 3.209 20 0 GGADHM COc1ccc(CNCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OCC(C)C ZINC000826202944 1442465040 /nfs/dbraw/zinc/46/50/40/1442465040.db2.gz TVWCDFKYKFDQCF-UHFFFAOYSA-N -1 3 397.479 3.209 20 0 GGADHM CCCN1Cc2cccc(N[C@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)c2C1 ZINC000736480731 1442466533 /nfs/dbraw/zinc/46/65/33/1442466533.db2.gz LTZVPAQFEMPYMD-CQSZACIVSA-N -1 3 391.479 3.031 20 0 GGADHM COc1cc(CN2CC[C@@H]3C[C@@H]32)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826179150 1442467780 /nfs/dbraw/zinc/46/77/80/1442467780.db2.gz BDDLZLWQHPLLCP-AEFFLSMTSA-N -1 3 377.448 3.049 20 0 GGADHM COc1cc(CN2CC[C@@H]3C[C@@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826179150 1442467782 /nfs/dbraw/zinc/46/77/82/1442467782.db2.gz BDDLZLWQHPLLCP-AEFFLSMTSA-N -1 3 377.448 3.049 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736235137 1443076129 /nfs/dbraw/zinc/07/61/29/1443076129.db2.gz MLOIVSJZFUAVHQ-VKJFTORMSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736235137 1443076135 /nfs/dbraw/zinc/07/61/35/1443076135.db2.gz MLOIVSJZFUAVHQ-VKJFTORMSA-N -1 3 376.464 3.072 20 0 GGADHM Cc1ccc([C@H]2CCN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)C2)cc1 ZINC000826285656 1443189036 /nfs/dbraw/zinc/18/90/36/1443189036.db2.gz GBYLJQHSXZTOHG-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM Cc1ccc([C@H]2CCN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)cc1 ZINC000826285656 1443189037 /nfs/dbraw/zinc/18/90/37/1443189037.db2.gz GBYLJQHSXZTOHG-SFHVURJKSA-N -1 3 387.447 3.215 20 0 GGADHM Fc1ccc(CC2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826374220 1443217510 /nfs/dbraw/zinc/21/75/10/1443217510.db2.gz QOCRNSDQBGYTLM-UHFFFAOYSA-N -1 3 391.454 3.108 20 0 GGADHM Fc1ccc(CC2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)cc1 ZINC000826374220 1443217514 /nfs/dbraw/zinc/21/75/14/1443217514.db2.gz QOCRNSDQBGYTLM-UHFFFAOYSA-N -1 3 391.454 3.108 20 0 GGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000823314189 1443231749 /nfs/dbraw/zinc/23/17/49/1443231749.db2.gz ODNMCYPQCJRPEH-UHFFFAOYSA-N -1 3 389.891 3.002 20 0 GGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000823314189 1443231751 /nfs/dbraw/zinc/23/17/51/1443231751.db2.gz ODNMCYPQCJRPEH-UHFFFAOYSA-N -1 3 389.891 3.002 20 0 GGADHM Cc1ccc(CN(C(=O)CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000826287669 1443260262 /nfs/dbraw/zinc/26/02/62/1443260262.db2.gz XUUYXBROBIAQLB-MRXNPFEDSA-N -1 3 390.491 3.017 20 0 GGADHM Cc1ccc(CN(C(=O)CN[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000826287669 1443260265 /nfs/dbraw/zinc/26/02/65/1443260265.db2.gz XUUYXBROBIAQLB-MRXNPFEDSA-N -1 3 390.491 3.017 20 0 GGADHM Fc1ccc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c(-c2nn[n-]n2)c1 ZINC000826374184 1443277338 /nfs/dbraw/zinc/27/73/38/1443277338.db2.gz ORKMVXXYMQQOMN-UHFFFAOYSA-N -1 3 393.422 3.066 20 0 GGADHM COc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1-c1nn[n-]n1 ZINC000821803214 1443348365 /nfs/dbraw/zinc/34/83/65/1443348365.db2.gz DJKJXBATLWCRTG-CQSZACIVSA-N -1 3 389.463 3.220 20 0 GGADHM COc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1-c1nnn[n-]1 ZINC000821803214 1443348370 /nfs/dbraw/zinc/34/83/70/1443348370.db2.gz DJKJXBATLWCRTG-CQSZACIVSA-N -1 3 389.463 3.220 20 0 GGADHM C[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824563173 1443352806 /nfs/dbraw/zinc/35/28/06/1443352806.db2.gz MXAGWGPSEJTAMB-LLVKDONJSA-N -1 3 390.369 3.175 20 0 GGADHM CCN(Cc1cc2c(c(OC)c1)OCO2)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428425 1443419698 /nfs/dbraw/zinc/41/96/98/1443419698.db2.gz MNJUMCYVWLHFFT-CYBMUJFWSA-N -1 3 381.436 3.187 20 0 GGADHM CCN(Cc1cc2c(c(OC)c1)OCO2)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428425 1443419700 /nfs/dbraw/zinc/41/97/00/1443419700.db2.gz MNJUMCYVWLHFFT-CYBMUJFWSA-N -1 3 381.436 3.187 20 0 GGADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(O[C@@H]2CCOC2)c1 ZINC000822238510 1443426314 /nfs/dbraw/zinc/42/63/14/1443426314.db2.gz KKOBYDJUHJOEJM-HNAYVOBHSA-N -1 3 379.464 3.194 20 0 GGADHM Fc1ccc(COC2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000826374778 1443436760 /nfs/dbraw/zinc/43/67/60/1443436760.db2.gz MFOAOCISGQDJCE-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1ccc(COC2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000826374778 1443436762 /nfs/dbraw/zinc/43/67/62/1443436762.db2.gz MFOAOCISGQDJCE-UHFFFAOYSA-N -1 3 385.418 3.326 20 0 GGADHM COc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1-c1nn[n-]n1 ZINC000826202532 1443455176 /nfs/dbraw/zinc/45/51/76/1443455176.db2.gz CTACZOLZISGGIU-IBGZPJMESA-N -1 3 391.475 3.368 20 0 GGADHM COc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1-c1nnn[n-]1 ZINC000826202532 1443455178 /nfs/dbraw/zinc/45/51/78/1443455178.db2.gz CTACZOLZISGGIU-IBGZPJMESA-N -1 3 391.475 3.368 20 0 GGADHM CC(C)(C)c1ncc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000824141882 1443455513 /nfs/dbraw/zinc/45/55/13/1443455513.db2.gz NLVXFBDNCOXJSN-UHFFFAOYSA-N -1 3 397.552 3.333 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000819876654 1443461257 /nfs/dbraw/zinc/46/12/57/1443461257.db2.gz IEUJFUBNJZIEJC-QMTMVMCOSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000819876654 1443461262 /nfs/dbraw/zinc/46/12/62/1443461262.db2.gz IEUJFUBNJZIEJC-QMTMVMCOSA-N -1 3 376.464 3.072 20 0 GGADHM CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1)C1CCC1 ZINC000821164499 1443528351 /nfs/dbraw/zinc/52/83/51/1443528351.db2.gz FEQMNMRNZPTQOP-UHFFFAOYSA-N -1 3 393.495 3.087 20 0 GGADHM COc1cccc2c1OCC[C@@H]2N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826218323 1443544074 /nfs/dbraw/zinc/54/40/74/1443544074.db2.gz YUAJKNHURZXMLX-ROUUACIJSA-N -1 3 377.448 3.366 20 0 GGADHM COc1cccc2c1OCC[C@@H]2N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826218323 1443544077 /nfs/dbraw/zinc/54/40/77/1443544077.db2.gz YUAJKNHURZXMLX-ROUUACIJSA-N -1 3 377.448 3.366 20 0 GGADHM Fc1cccc(Cl)c1[C@H](CNCc1ccc(-c2nn[n-]n2)o1)N1CCCC1 ZINC000822786781 1443545213 /nfs/dbraw/zinc/54/52/13/1443545213.db2.gz PHCHLGGRZOGWBN-HNNXBMFYSA-N -1 3 390.850 3.179 20 0 GGADHM Fc1cccc(Cl)c1[C@H](CNCc1ccc(-c2nnn[n-]2)o1)N1CCCC1 ZINC000822786781 1443545216 /nfs/dbraw/zinc/54/52/16/1443545216.db2.gz PHCHLGGRZOGWBN-HNNXBMFYSA-N -1 3 390.850 3.179 20 0 GGADHM Cc1ccc([C@@H]2CSCCN2CCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737334176 1443578085 /nfs/dbraw/zinc/57/80/85/1443578085.db2.gz YIBDQRFCMKQYJN-IBGZPJMESA-N -1 3 381.505 3.344 20 0 GGADHM Cc1ccc([C@@H]2CSCCN2CCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737334176 1443578092 /nfs/dbraw/zinc/57/80/92/1443578092.db2.gz YIBDQRFCMKQYJN-IBGZPJMESA-N -1 3 381.505 3.344 20 0 GGADHM O=C(CN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)Nc1ccc(Cl)cc1 ZINC000826412544 1443614425 /nfs/dbraw/zinc/61/44/25/1443614425.db2.gz SACYTFAEWXREHD-KRWDZBQOSA-N -1 3 382.855 3.126 20 0 GGADHM O=C(CN[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)Nc1ccc(Cl)cc1 ZINC000826412544 1443614429 /nfs/dbraw/zinc/61/44/29/1443614429.db2.gz SACYTFAEWXREHD-KRWDZBQOSA-N -1 3 382.855 3.126 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824334530 1443628234 /nfs/dbraw/zinc/62/82/34/1443628234.db2.gz XCYJZTFEVNZHTI-OAHLLOKOSA-N -1 3 394.479 3.333 20 0 GGADHM CC(C)Oc1ccccc1[C@@H](C)NCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824334530 1443628236 /nfs/dbraw/zinc/62/82/36/1443628236.db2.gz XCYJZTFEVNZHTI-OAHLLOKOSA-N -1 3 394.479 3.333 20 0 GGADHM CC(C)[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000735692056 1443629908 /nfs/dbraw/zinc/62/99/08/1443629908.db2.gz SFUAWENNAZAWNK-GOSISDBHSA-N -1 3 380.452 3.184 20 0 GGADHM CC(C)[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000735692056 1443629910 /nfs/dbraw/zinc/62/99/10/1443629910.db2.gz SFUAWENNAZAWNK-GOSISDBHSA-N -1 3 380.452 3.184 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCSC2(CCCCC2)C1 ZINC000821702533 1443640068 /nfs/dbraw/zinc/64/00/68/1443640068.db2.gz WOQDHTWHJYXREP-UHFFFAOYSA-N -1 3 389.525 3.006 20 0 GGADHM C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824538728 1443645991 /nfs/dbraw/zinc/64/59/91/1443645991.db2.gz KGRRZFGLNNBLMZ-KHDYIWLOSA-N -1 3 396.882 3.143 20 0 GGADHM C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538728 1443645993 /nfs/dbraw/zinc/64/59/93/1443645993.db2.gz KGRRZFGLNNBLMZ-KHDYIWLOSA-N -1 3 396.882 3.143 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826412304 1443666201 /nfs/dbraw/zinc/66/62/01/1443666201.db2.gz JPVPYPSEGKQVSR-FQEVSTJZSA-N -1 3 390.491 3.004 20 0 GGADHM O=C(CN[C@@H](CC1CCC1)c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826412304 1443666204 /nfs/dbraw/zinc/66/62/04/1443666204.db2.gz JPVPYPSEGKQVSR-FQEVSTJZSA-N -1 3 390.491 3.004 20 0 GGADHM Cc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822229680 1443667202 /nfs/dbraw/zinc/66/72/02/1443667202.db2.gz ZESPGMMZCBWHIR-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822229680 1443667207 /nfs/dbraw/zinc/66/72/07/1443667207.db2.gz ZESPGMMZCBWHIR-XJKSGUPXSA-N -1 3 382.493 3.001 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000826169896 1443681117 /nfs/dbraw/zinc/68/11/17/1443681117.db2.gz JEKQYYJIMLUIMZ-HXUWFJFHSA-N -1 3 395.463 3.133 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000826169896 1443681119 /nfs/dbraw/zinc/68/11/19/1443681119.db2.gz JEKQYYJIMLUIMZ-HXUWFJFHSA-N -1 3 395.463 3.133 20 0 GGADHM COc1ccc(CNCc2ccnc(OC3CCCCC3)c2)cc1-c1nn[n-]n1 ZINC000821818329 1443696080 /nfs/dbraw/zinc/69/60/80/1443696080.db2.gz PTWDTILGKMORGM-UHFFFAOYSA-N -1 3 394.479 3.272 20 0 GGADHM COc1ccc(CNCc2ccnc(OC3CCCCC3)c2)cc1-c1nnn[n-]1 ZINC000821818329 1443696084 /nfs/dbraw/zinc/69/60/84/1443696084.db2.gz PTWDTILGKMORGM-UHFFFAOYSA-N -1 3 394.479 3.272 20 0 GGADHM CCCN1Cc2cccc(N[C@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2C1 ZINC000736479733 1443768691 /nfs/dbraw/zinc/76/86/91/1443768691.db2.gz GAXPEWIYXFFJLA-CQSZACIVSA-N -1 3 391.479 3.031 20 0 GGADHM CC[C@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000736321650 1443777257 /nfs/dbraw/zinc/77/72/57/1443777257.db2.gz FNDHWENTRRGQND-LBPRGKRZSA-N -1 3 399.474 3.082 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820411790 1443788422 /nfs/dbraw/zinc/78/84/22/1443788422.db2.gz JPWXIYIUVRUHKJ-JYJNAYRXSA-N -1 3 390.491 3.274 20 0 GGADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820411790 1443788425 /nfs/dbraw/zinc/78/84/25/1443788425.db2.gz JPWXIYIUVRUHKJ-JYJNAYRXSA-N -1 3 390.491 3.274 20 0 GGADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139855036 1443812441 /nfs/dbraw/zinc/81/24/41/1443812441.db2.gz RLQXOTUAYXANBO-SZMVWBNQSA-N -1 3 383.496 3.342 20 0 GGADHM Fc1cccc(CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@H]2CCCO2)c1 ZINC000737661793 1443831856 /nfs/dbraw/zinc/83/18/56/1443831856.db2.gz QBZJPDASVURFBG-GOSISDBHSA-N -1 3 385.418 3.326 20 0 GGADHM Fc1cccc(CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H]2CCCO2)c1 ZINC000737661793 1443831859 /nfs/dbraw/zinc/83/18/59/1443831859.db2.gz QBZJPDASVURFBG-GOSISDBHSA-N -1 3 385.418 3.326 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821175915 1443897935 /nfs/dbraw/zinc/89/79/35/1443897935.db2.gz ZLAOHRWUDBRCTN-HNNXBMFYSA-N -1 3 378.480 3.200 20 0 GGADHM CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821175915 1443897937 /nfs/dbraw/zinc/89/79/37/1443897937.db2.gz ZLAOHRWUDBRCTN-HNNXBMFYSA-N -1 3 378.480 3.200 20 0 GGADHM CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821071586 1443914853 /nfs/dbraw/zinc/91/48/53/1443914853.db2.gz JMOQMNGTHGXGCB-HNNXBMFYSA-N -1 3 378.480 3.247 20 0 GGADHM CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821071586 1443914854 /nfs/dbraw/zinc/91/48/54/1443914854.db2.gz JMOQMNGTHGXGCB-HNNXBMFYSA-N -1 3 378.480 3.247 20 0 GGADHM CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825399284 1443967610 /nfs/dbraw/zinc/96/76/10/1443967610.db2.gz OKRLJPRMVILWNA-HZPDHXFCSA-N -1 3 392.507 3.441 20 0 GGADHM CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825399284 1443967615 /nfs/dbraw/zinc/96/76/15/1443967615.db2.gz OKRLJPRMVILWNA-HZPDHXFCSA-N -1 3 392.507 3.441 20 0 GGADHM CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824598094 1443969765 /nfs/dbraw/zinc/96/97/65/1443969765.db2.gz BMOMYSCHOYAZCH-OAHLLOKOSA-N -1 3 399.520 3.008 20 0 GGADHM CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824598094 1443969769 /nfs/dbraw/zinc/96/97/69/1443969769.db2.gz BMOMYSCHOYAZCH-OAHLLOKOSA-N -1 3 399.520 3.008 20 0 GGADHM CCO[C@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000821367665 1443973164 /nfs/dbraw/zinc/97/31/64/1443973164.db2.gz LUTZWVGURNTSMD-FQEVSTJZSA-N -1 3 393.491 3.447 20 0 GGADHM CCO[C@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000821367665 1443973167 /nfs/dbraw/zinc/97/31/67/1443973167.db2.gz LUTZWVGURNTSMD-FQEVSTJZSA-N -1 3 393.491 3.447 20 0 GGADHM Cc1cc(C)cc([C@H](C)NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826264632 1443981695 /nfs/dbraw/zinc/98/16/95/1443981695.db2.gz UVGDHUSCMYNGRT-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Cc1cc(C)cc([C@H](C)NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826264632 1443981697 /nfs/dbraw/zinc/98/16/97/1443981697.db2.gz UVGDHUSCMYNGRT-ZDUSSCGKSA-N -1 3 384.871 3.426 20 0 GGADHM Clc1ccc2nc(CNCCSCc3ccccc3-c3nn[n-]n3)cn2c1 ZINC000826352998 1443997562 /nfs/dbraw/zinc/99/75/62/1443997562.db2.gz XCVXMEGXNJNJSD-UHFFFAOYSA-N -1 3 399.911 3.191 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000826169225 1444018168 /nfs/dbraw/zinc/01/81/68/1444018168.db2.gz LRJOWOMJZCYKSJ-GOSISDBHSA-N -1 3 395.438 3.252 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000826169225 1444018171 /nfs/dbraw/zinc/01/81/71/1444018171.db2.gz LRJOWOMJZCYKSJ-GOSISDBHSA-N -1 3 395.438 3.252 20 0 GGADHM C[C@H]1COCCCN1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825006298 1446083758 /nfs/dbraw/zinc/08/37/58/1446083758.db2.gz ILQBSLHIPQVVMF-INIZCTEOSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@H]1COCCCN1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825006298 1446083764 /nfs/dbraw/zinc/08/37/64/1446083764.db2.gz ILQBSLHIPQVVMF-INIZCTEOSA-N -1 3 379.464 3.057 20 0 GGADHM C[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c2ccccc21 ZINC000824891482 1446179534 /nfs/dbraw/zinc/17/95/34/1446179534.db2.gz ADGAGOWLHOQZMT-JSNMRZPZSA-N -1 3 388.475 3.200 20 0 GGADHM C[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c2ccccc21 ZINC000824891482 1446179540 /nfs/dbraw/zinc/17/95/40/1446179540.db2.gz ADGAGOWLHOQZMT-JSNMRZPZSA-N -1 3 388.475 3.200 20 0 GGADHM COc1ccc(CN(Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](CO)C(C)C)cc1 ZINC000826193911 1446190796 /nfs/dbraw/zinc/19/07/96/1446190796.db2.gz UNJTZPYWIOHKRG-HXUWFJFHSA-N -1 3 399.470 3.034 20 0 GGADHM COc1ccc(CN(Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](CO)C(C)C)cc1 ZINC000826193911 1446190800 /nfs/dbraw/zinc/19/08/00/1446190800.db2.gz UNJTZPYWIOHKRG-HXUWFJFHSA-N -1 3 399.470 3.034 20 0 GGADHM CN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@H]1CCCCO1 ZINC000825980508 1446201213 /nfs/dbraw/zinc/20/12/13/1446201213.db2.gz BWBPGPOOROVQEP-HXUWFJFHSA-N -1 3 393.491 3.447 20 0 GGADHM CN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCCCO1 ZINC000825980508 1446201218 /nfs/dbraw/zinc/20/12/18/1446201218.db2.gz BWBPGPOOROVQEP-HXUWFJFHSA-N -1 3 393.491 3.447 20 0 GGADHM C[C@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569654 1446228897 /nfs/dbraw/zinc/22/88/97/1446228897.db2.gz JKGNCOWTIFUCAH-QFYYESIMSA-N -1 3 395.360 3.409 20 0 GGADHM C[C@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824569654 1446228901 /nfs/dbraw/zinc/22/89/01/1446228901.db2.gz JKGNCOWTIFUCAH-QFYYESIMSA-N -1 3 395.360 3.409 20 0 GGADHM COc1ccc(OCCN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826211540 1446230598 /nfs/dbraw/zinc/23/05/98/1446230598.db2.gz IZXSWIKPBLEEIW-UHFFFAOYSA-N -1 3 377.448 3.043 20 0 GGADHM COc1ccc(OCCN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826211540 1446230602 /nfs/dbraw/zinc/23/06/02/1446230602.db2.gz IZXSWIKPBLEEIW-UHFFFAOYSA-N -1 3 377.448 3.043 20 0 GGADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000736024875 1446273433 /nfs/dbraw/zinc/27/34/33/1446273433.db2.gz AULMTHBHONUSFI-HNNXBMFYSA-N -1 3 397.914 3.143 20 0 GGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000736024875 1446273439 /nfs/dbraw/zinc/27/34/39/1446273439.db2.gz AULMTHBHONUSFI-HNNXBMFYSA-N -1 3 397.914 3.143 20 0 GGADHM O[C@H](C[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC000826503373 1446319455 /nfs/dbraw/zinc/31/94/55/1446319455.db2.gz WAWBWXYPBRAJJY-PKOBYXMFSA-N -1 3 385.418 3.233 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](c2cccc(F)c2)N(C)C)c1-c1nn[n-]n1 ZINC000826239712 1446339698 /nfs/dbraw/zinc/33/96/98/1446339698.db2.gz OGZCLEJQGJFIBR-CQSZACIVSA-N -1 3 375.839 3.077 20 0 GGADHM Cc1c(Cl)cnc(NC[C@H](c2cccc(F)c2)N(C)C)c1-c1nnn[n-]1 ZINC000826239712 1446339700 /nfs/dbraw/zinc/33/97/00/1446339700.db2.gz OGZCLEJQGJFIBR-CQSZACIVSA-N -1 3 375.839 3.077 20 0 GGADHM c1ccc([C@H]2CN(CCCOc3ccc(-c4nn[n-]n4)cc3)CCS2)cc1 ZINC000738428977 1446393274 /nfs/dbraw/zinc/39/32/74/1446393274.db2.gz QTCQLJZGUJZTNH-LJQANCHMSA-N -1 3 381.505 3.426 20 0 GGADHM c1ccc([C@H]2CN(CCCOc3ccc(-c4nnn[n-]4)cc3)CCS2)cc1 ZINC000738428977 1446393278 /nfs/dbraw/zinc/39/32/78/1446393278.db2.gz QTCQLJZGUJZTNH-LJQANCHMSA-N -1 3 381.505 3.426 20 0 GGADHM COC[C@H](NCc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000826150554 1446425460 /nfs/dbraw/zinc/42/54/60/1446425460.db2.gz HFJWUNHGLAKMOL-INIZCTEOSA-N -1 3 377.370 3.363 20 0 GGADHM COC[C@H](NCc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826150554 1446425461 /nfs/dbraw/zinc/42/54/61/1446425461.db2.gz HFJWUNHGLAKMOL-INIZCTEOSA-N -1 3 377.370 3.363 20 0 GGADHM C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824554508 1446465100 /nfs/dbraw/zinc/46/51/00/1446465100.db2.gz PXQKGGZSCBUIGD-KBPBESRZSA-N -1 3 398.898 3.390 20 0 GGADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000736198263 1446505279 /nfs/dbraw/zinc/50/52/79/1446505279.db2.gz RTQFNMFLSBRLGL-QGZVFWFLSA-N -1 3 399.502 3.294 20 0 GGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000736198263 1446505282 /nfs/dbraw/zinc/50/52/82/1446505282.db2.gz RTQFNMFLSBRLGL-QGZVFWFLSA-N -1 3 399.502 3.294 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820413639 1446526776 /nfs/dbraw/zinc/52/67/76/1446526776.db2.gz SVWXDRKSQVCJEN-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820413639 1446526780 /nfs/dbraw/zinc/52/67/80/1446526780.db2.gz SVWXDRKSQVCJEN-GHMZBOCLSA-N -1 3 388.834 3.337 20 0 GGADHM CN(C)[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1Cl ZINC000736762760 1446527252 /nfs/dbraw/zinc/52/72/52/1446527252.db2.gz XCWLJQUBMCKYQX-GOSISDBHSA-N -1 3 393.882 3.205 20 0 GGADHM C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824626183 1446550887 /nfs/dbraw/zinc/55/08/87/1446550887.db2.gz NKCPAQHYMSLLSX-AWEZNQCLSA-N -1 3 381.459 3.242 20 0 GGADHM O[C@](CNCc1ccc(-c2nn[n-]n2)cc1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000823681830 1446554092 /nfs/dbraw/zinc/55/40/92/1446554092.db2.gz LBBNMTGQQYQQJT-MRXNPFEDSA-N -1 3 397.788 3.060 20 0 GGADHM CCO[C@H]1CCCN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000821369205 1446636572 /nfs/dbraw/zinc/63/65/72/1446636572.db2.gz XRVJBBXPLAXBQO-NRFANRHFSA-N -1 3 393.491 3.447 20 0 GGADHM CCO[C@H]1CCCN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000821369205 1446636580 /nfs/dbraw/zinc/63/65/80/1446636580.db2.gz XRVJBBXPLAXBQO-NRFANRHFSA-N -1 3 393.491 3.447 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000820758738 1446641434 /nfs/dbraw/zinc/64/14/34/1446641434.db2.gz CJKCCKOLGQMFSI-BETUJISGSA-N -1 3 398.433 3.187 20 0 GGADHM C[C@@H]1CN(CCCCNc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000820758738 1446641437 /nfs/dbraw/zinc/64/14/37/1446641437.db2.gz CJKCCKOLGQMFSI-BETUJISGSA-N -1 3 398.433 3.187 20 0 GGADHM O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737892723 1446648699 /nfs/dbraw/zinc/64/86/99/1446648699.db2.gz ZVOLIMCECICZEE-GOSISDBHSA-N -1 3 382.855 3.200 20 0 GGADHM O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737892723 1446648702 /nfs/dbraw/zinc/64/87/02/1446648702.db2.gz ZVOLIMCECICZEE-GOSISDBHSA-N -1 3 382.855 3.200 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000737032224 1446713768 /nfs/dbraw/zinc/71/37/68/1446713768.db2.gz FYPPDQIKPSDFCP-GFCCVEGCSA-N -1 3 389.406 3.225 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000737032224 1446713773 /nfs/dbraw/zinc/71/37/73/1446713773.db2.gz FYPPDQIKPSDFCP-GFCCVEGCSA-N -1 3 389.406 3.225 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001139853403 1446732324 /nfs/dbraw/zinc/73/23/24/1446732324.db2.gz PCVPWKRTTJQIDP-UHFFFAOYSA-N -1 3 398.511 3.090 20 0 GGADHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001139853403 1446732326 /nfs/dbraw/zinc/73/23/26/1446732326.db2.gz PCVPWKRTTJQIDP-UHFFFAOYSA-N -1 3 398.511 3.090 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000825139291 1446779808 /nfs/dbraw/zinc/77/98/08/1446779808.db2.gz DLLMUJHSXIVZBW-CQSZACIVSA-N -1 3 392.435 3.276 20 0 GGADHM CC[C@@H](NCCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000825139291 1446779813 /nfs/dbraw/zinc/77/98/13/1446779813.db2.gz DLLMUJHSXIVZBW-CQSZACIVSA-N -1 3 392.435 3.276 20 0 GGADHM CC(C)N1CC[C@@H](NCc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824296274 1446783971 /nfs/dbraw/zinc/78/39/71/1446783971.db2.gz FYPDUZJRYRSOSH-AEFFLSMTSA-N -1 3 388.422 3.052 20 0 GGADHM CC(C)N1CC[C@@H](NCc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824296274 1446783976 /nfs/dbraw/zinc/78/39/76/1446783976.db2.gz FYPDUZJRYRSOSH-AEFFLSMTSA-N -1 3 388.422 3.052 20 0 GGADHM C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824906717 1446820408 /nfs/dbraw/zinc/82/04/08/1446820408.db2.gz DGWLSCYQJZIDHC-HOTGVXAUSA-N -1 3 390.491 3.023 20 0 GGADHM CC[C@@](C)(NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000825044967 1446826378 /nfs/dbraw/zinc/82/63/78/1446826378.db2.gz WWSRBKMYJRFOQV-LJQANCHMSA-N -1 3 384.871 3.374 20 0 GGADHM CC[C@@](C)(NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000825044967 1446826382 /nfs/dbraw/zinc/82/63/82/1446826382.db2.gz WWSRBKMYJRFOQV-LJQANCHMSA-N -1 3 384.871 3.374 20 0 GGADHM Cn1cc(CNCc2cccc(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362007 1446837879 /nfs/dbraw/zinc/83/78/79/1446837879.db2.gz ZNFBWUJDMFFNHE-UHFFFAOYSA-N -1 3 379.855 3.210 20 0 GGADHM Cn1cc(CNCc2cccc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362007 1446837884 /nfs/dbraw/zinc/83/78/84/1446837884.db2.gz ZNFBWUJDMFFNHE-UHFFFAOYSA-N -1 3 379.855 3.210 20 0 GGADHM CC[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)[C@H](O)c1c(F)cccc1F ZINC000825139029 1446877458 /nfs/dbraw/zinc/87/74/58/1446877458.db2.gz AFZDSEZSZGDQNU-KAWXRDEMSA-N -1 3 391.397 3.447 20 0 GGADHM CC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)[C@H](O)c1c(F)cccc1F ZINC000825139029 1446877463 /nfs/dbraw/zinc/87/74/63/1446877463.db2.gz AFZDSEZSZGDQNU-KAWXRDEMSA-N -1 3 391.397 3.447 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)c(-c2nn[n-]n2)c1C ZINC000737552020 1446909296 /nfs/dbraw/zinc/90/92/96/1446909296.db2.gz MWFLDPAZDZICKH-SFHVURJKSA-N -1 3 398.442 3.285 20 0 GGADHM Cc1oc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)c(-c2nnn[n-]2)c1C ZINC000737552020 1446909298 /nfs/dbraw/zinc/90/92/98/1446909298.db2.gz MWFLDPAZDZICKH-SFHVURJKSA-N -1 3 398.442 3.285 20 0 GGADHM COc1cc(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC)c1OC ZINC000826179561 1446944598 /nfs/dbraw/zinc/94/45/98/1446944598.db2.gz UQQFTBSSRIGCED-KRWDZBQOSA-N -1 3 395.463 3.060 20 0 GGADHM COc1cc(CN[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC)c1OC ZINC000826179561 1446944601 /nfs/dbraw/zinc/94/46/01/1446944601.db2.gz UQQFTBSSRIGCED-KRWDZBQOSA-N -1 3 395.463 3.060 20 0 GGADHM COc1ccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C(C)(C)C)c(OC)c1 ZINC000826194040 1446958030 /nfs/dbraw/zinc/95/80/30/1446958030.db2.gz YOTJKTRSHCLBEK-UHFFFAOYSA-N -1 3 382.468 3.080 20 0 GGADHM COc1ccc(CN(Cc2ccnc(-c3nn[n-]n3)c2)C(C)(C)C)c(OC)c1 ZINC000826194040 1446958033 /nfs/dbraw/zinc/95/80/33/1446958033.db2.gz YOTJKTRSHCLBEK-UHFFFAOYSA-N -1 3 382.468 3.080 20 0 GGADHM CCN1CCN(c2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c(C)c2)CC1 ZINC000825466044 1446963419 /nfs/dbraw/zinc/96/34/19/1446963419.db2.gz WHJVQVCZGHSHGN-QGZVFWFLSA-N -1 3 391.523 3.490 20 0 GGADHM Cc1ccnc(N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826312729 1446965091 /nfs/dbraw/zinc/96/50/91/1446965091.db2.gz NAVGHEPINVYNTN-FUHWJXTLSA-N -1 3 399.449 3.484 20 0 GGADHM c1ccc(C[C@@H]2CCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823779507 1446991882 /nfs/dbraw/zinc/99/18/82/1446991882.db2.gz FHWLMDZPYXARKK-SFHVURJKSA-N -1 3 387.447 3.124 20 0 GGADHM c1ccc(C[C@@H]2CCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823779507 1446991885 /nfs/dbraw/zinc/99/18/85/1446991885.db2.gz FHWLMDZPYXARKK-SFHVURJKSA-N -1 3 387.447 3.124 20 0 GGADHM Cc1cccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1C ZINC000822289200 1446998275 /nfs/dbraw/zinc/99/82/75/1446998275.db2.gz UQURJXBZAYNSCL-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1cccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1C ZINC000822289200 1446998277 /nfs/dbraw/zinc/99/82/77/1446998277.db2.gz UQURJXBZAYNSCL-CZUORRHYSA-N -1 3 382.493 3.001 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C)c2C)c(-c2nn[n-]n2)c1C ZINC000826296126 1447033231 /nfs/dbraw/zinc/03/32/31/1447033231.db2.gz KEAIOALPOVWEBZ-UONOGXRCSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C)c2C)c(-c2nnn[n-]2)c1C ZINC000826296126 1447033236 /nfs/dbraw/zinc/03/32/36/1447033236.db2.gz KEAIOALPOVWEBZ-UONOGXRCSA-N -1 3 382.468 3.371 20 0 GGADHM Cc1cccc(NC2CCN(CCOc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737399548 1447056929 /nfs/dbraw/zinc/05/69/29/1447056929.db2.gz LUDXTLKAXPUFHF-UHFFFAOYSA-N -1 3 378.480 3.130 20 0 GGADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(C)c(OC)c(C)c1 ZINC000826159065 1447066298 /nfs/dbraw/zinc/06/62/98/1447066298.db2.gz OWZRICZWKDRMAK-UHFFFAOYSA-N -1 3 381.480 3.141 20 0 GGADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(C)c(OC)c(C)c1 ZINC000826159065 1447066303 /nfs/dbraw/zinc/06/63/03/1447066303.db2.gz OWZRICZWKDRMAK-UHFFFAOYSA-N -1 3 381.480 3.141 20 0 GGADHM c1ccc(C[C@H](NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CC2)cc1 ZINC000826520734 1447087757 /nfs/dbraw/zinc/08/77/57/1447087757.db2.gz QFMCJVLBVQCRPQ-SFHVURJKSA-N -1 3 387.447 3.028 20 0 GGADHM c1ccc(C[C@H](NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)cc1 ZINC000826520734 1447087760 /nfs/dbraw/zinc/08/77/60/1447087760.db2.gz QFMCJVLBVQCRPQ-SFHVURJKSA-N -1 3 387.447 3.028 20 0 GGADHM Cc1nn(C)c(C)c1CNCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737512673 1447094703 /nfs/dbraw/zinc/09/47/03/1447094703.db2.gz YWZNMSYLQKGMCV-UHFFFAOYSA-N -1 3 379.493 3.235 20 0 GGADHM Cc1nn(C)c(C)c1CNCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737512673 1447094708 /nfs/dbraw/zinc/09/47/08/1447094708.db2.gz YWZNMSYLQKGMCV-UHFFFAOYSA-N -1 3 379.493 3.235 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000821275509 1447169954 /nfs/dbraw/zinc/16/99/54/1447169954.db2.gz AMFWFWHHBFYERE-INIZCTEOSA-N -1 3 377.496 3.182 20 0 GGADHM CCN1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000821275509 1447169957 /nfs/dbraw/zinc/16/99/57/1447169957.db2.gz AMFWFWHHBFYERE-INIZCTEOSA-N -1 3 377.496 3.182 20 0 GGADHM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738190183 1447226201 /nfs/dbraw/zinc/22/62/01/1447226201.db2.gz AUQCZNOCXJEBFQ-OAQYLSRUSA-N -1 3 398.470 3.206 20 0 GGADHM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738190183 1447226209 /nfs/dbraw/zinc/22/62/09/1447226209.db2.gz AUQCZNOCXJEBFQ-OAQYLSRUSA-N -1 3 398.470 3.206 20 0 GGADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000826169555 1447244672 /nfs/dbraw/zinc/24/46/72/1447244672.db2.gz WXJOLXHVZQXARX-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000826169555 1447244679 /nfs/dbraw/zinc/24/46/79/1447244679.db2.gz WXJOLXHVZQXARX-UHFFFAOYSA-N -1 3 397.454 3.196 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736233908 1449050392 /nfs/dbraw/zinc/05/03/92/1449050392.db2.gz HDTZGXKELCCMLT-BFYDXBDKSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736233908 1449050396 /nfs/dbraw/zinc/05/03/96/1449050396.db2.gz HDTZGXKELCCMLT-BFYDXBDKSA-N -1 3 376.464 3.072 20 0 GGADHM CCCCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000821066578 1449111104 /nfs/dbraw/zinc/11/11/04/1449111104.db2.gz UYDABSVEDAVHPT-UHFFFAOYSA-N -1 3 391.541 3.075 20 0 GGADHM CCCCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000821066578 1449111108 /nfs/dbraw/zinc/11/11/08/1449111108.db2.gz UYDABSVEDAVHPT-UHFFFAOYSA-N -1 3 391.541 3.075 20 0 GGADHM C[C@H](NCCOc1ccccc1-c1nn[n-]n1)c1ccccc1Br ZINC000824599458 1449143617 /nfs/dbraw/zinc/14/36/17/1449143617.db2.gz PFPFRVFIHVOHQD-LBPRGKRZSA-N -1 3 388.269 3.359 20 0 GGADHM C[C@H](NCCOc1ccccc1-c1nnn[n-]1)c1ccccc1Br ZINC000824599458 1449143624 /nfs/dbraw/zinc/14/36/24/1449143624.db2.gz PFPFRVFIHVOHQD-LBPRGKRZSA-N -1 3 388.269 3.359 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000819876653 1449180845 /nfs/dbraw/zinc/18/08/45/1449180845.db2.gz IEUJFUBNJZIEJC-KHYOSLBOSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000819876653 1449180848 /nfs/dbraw/zinc/18/08/48/1449180848.db2.gz IEUJFUBNJZIEJC-KHYOSLBOSA-N -1 3 376.464 3.072 20 0 GGADHM C[C@@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1nccs1 ZINC000824414331 1449265777 /nfs/dbraw/zinc/26/57/77/1449265777.db2.gz ZNNIYZQOCVSGNE-JTQLQIEISA-N -1 3 380.424 3.160 20 0 GGADHM C[C@@H](CN(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nccs1 ZINC000824414331 1449265783 /nfs/dbraw/zinc/26/57/83/1449265783.db2.gz ZNNIYZQOCVSGNE-JTQLQIEISA-N -1 3 380.424 3.160 20 0 GGADHM O=C1[C@@H](NCc2ccccc2C2CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476807 1449266430 /nfs/dbraw/zinc/26/64/30/1449266430.db2.gz PPDBTCQMNNFMGZ-FQEVSTJZSA-N -1 3 388.475 3.029 20 0 GGADHM O=C1[C@@H](NCc2ccccc2C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476807 1449266437 /nfs/dbraw/zinc/26/64/37/1449266437.db2.gz PPDBTCQMNNFMGZ-FQEVSTJZSA-N -1 3 388.475 3.029 20 0 GGADHM Fc1c(CN2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cccc1-c1nnn[n-]1 ZINC000826370664 1449275897 /nfs/dbraw/zinc/27/58/97/1449275897.db2.gz CSKNLVWRWTZNPX-SNVBAGLBSA-N -1 3 395.364 3.127 20 0 GGADHM Fc1c(CN2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cccc1-c1nn[n-]n1 ZINC000826370664 1449275903 /nfs/dbraw/zinc/27/59/03/1449275903.db2.gz CSKNLVWRWTZNPX-SNVBAGLBSA-N -1 3 395.364 3.127 20 0 GGADHM CC[C@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000825139693 1449320295 /nfs/dbraw/zinc/32/02/95/1449320295.db2.gz GYWCWMQJTBYRAH-KRWDZBQOSA-N -1 3 377.448 3.368 20 0 GGADHM CC[C@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000825139693 1449320296 /nfs/dbraw/zinc/32/02/96/1449320296.db2.gz GYWCWMQJTBYRAH-KRWDZBQOSA-N -1 3 377.448 3.368 20 0 GGADHM CN(C)C(=O)Sc1ccc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821611910 1449344736 /nfs/dbraw/zinc/34/47/36/1449344736.db2.gz AHABYKBKDPKZTK-UHFFFAOYSA-N -1 3 382.493 3.272 20 0 GGADHM CN(C)C(=O)Sc1ccc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821611910 1449344739 /nfs/dbraw/zinc/34/47/39/1449344739.db2.gz AHABYKBKDPKZTK-UHFFFAOYSA-N -1 3 382.493 3.272 20 0 GGADHM Cc1cc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1F ZINC000826261442 1449363999 /nfs/dbraw/zinc/36/39/99/1449363999.db2.gz FQAGCSWOIRGSIL-LIRRHRJNSA-N -1 3 394.454 3.160 20 0 GGADHM Cc1cc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1F ZINC000826261442 1449364010 /nfs/dbraw/zinc/36/40/10/1449364010.db2.gz FQAGCSWOIRGSIL-LIRRHRJNSA-N -1 3 394.454 3.160 20 0 GGADHM CCOCCOCc1cccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825599698 1449402740 /nfs/dbraw/zinc/40/27/40/1449402740.db2.gz PXLYVLFAVJPUEK-OAHLLOKOSA-N -1 3 399.470 3.410 20 0 GGADHM CCOCCOCc1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825599698 1449402742 /nfs/dbraw/zinc/40/27/42/1449402742.db2.gz PXLYVLFAVJPUEK-OAHLLOKOSA-N -1 3 399.470 3.410 20 0 GGADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000821123694 1449449521 /nfs/dbraw/zinc/44/95/21/1449449521.db2.gz VWRGNSZMAGKMHH-UHFFFAOYSA-N -1 3 379.468 3.003 20 0 GGADHM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000821123694 1449449523 /nfs/dbraw/zinc/44/95/23/1449449523.db2.gz VWRGNSZMAGKMHH-UHFFFAOYSA-N -1 3 379.468 3.003 20 0 GGADHM C[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820426803 1449502894 /nfs/dbraw/zinc/50/28/94/1449502894.db2.gz NTOQGENWTZRKTD-NSHDSACASA-N -1 3 383.481 3.063 20 0 GGADHM C[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820426803 1449502898 /nfs/dbraw/zinc/50/28/98/1449502898.db2.gz NTOQGENWTZRKTD-NSHDSACASA-N -1 3 383.481 3.063 20 0 GGADHM COCCOc1ccc([C@H](C)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826162500 1449532657 /nfs/dbraw/zinc/53/26/57/1449532657.db2.gz FCIKOYKYLVHKTR-HNNXBMFYSA-N -1 3 379.464 3.232 20 0 GGADHM COCCOc1ccc([C@H](C)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826162500 1449532663 /nfs/dbraw/zinc/53/26/63/1449532663.db2.gz FCIKOYKYLVHKTR-HNNXBMFYSA-N -1 3 379.464 3.232 20 0 GGADHM Cc1cccc(CN2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)c1 ZINC000737392923 1449568265 /nfs/dbraw/zinc/56/82/65/1449568265.db2.gz ASFXKZKSZHWVCW-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM Cc1cccc(CN2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)c1 ZINC000737392923 1449568270 /nfs/dbraw/zinc/56/82/70/1449568270.db2.gz ASFXKZKSZHWVCW-UHFFFAOYSA-N -1 3 385.475 3.046 20 0 GGADHM COc1ccc(CN2CCC[C@H]2CC(=O)c2cccs2)cc1-c1nn[n-]n1 ZINC000826194519 1449642040 /nfs/dbraw/zinc/64/20/40/1449642040.db2.gz OBXSOWPZOHJFDK-AWEZNQCLSA-N -1 3 383.477 3.174 20 0 GGADHM CC(C)C[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820068091 1449670487 /nfs/dbraw/zinc/67/04/87/1449670487.db2.gz NXLCUTYVPYBXSV-CHWSQXEVSA-N -1 3 388.541 3.112 20 0 GGADHM CC(C)C[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820068091 1449670494 /nfs/dbraw/zinc/67/04/94/1449670494.db2.gz NXLCUTYVPYBXSV-CHWSQXEVSA-N -1 3 388.541 3.112 20 0 GGADHM CCCO[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000825338706 1449671476 /nfs/dbraw/zinc/67/14/76/1449671476.db2.gz FPKHIBOMKNQGQS-HNNXBMFYSA-N -1 3 394.317 3.410 20 0 GGADHM CCCO[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000825338706 1449671486 /nfs/dbraw/zinc/67/14/86/1449671486.db2.gz FPKHIBOMKNQGQS-HNNXBMFYSA-N -1 3 394.317 3.410 20 0 GGADHM c1ccc2c(c1)ccnc2CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826517790 1449676823 /nfs/dbraw/zinc/67/68/23/1449676823.db2.gz OPGAROLLJDFFAZ-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM c1ccc2c(c1)ccnc2CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826517790 1449676829 /nfs/dbraw/zinc/67/68/29/1449676829.db2.gz OPGAROLLJDFFAZ-UHFFFAOYSA-N -1 3 386.459 3.458 20 0 GGADHM FC(F)(F)c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826368472 1449705298 /nfs/dbraw/zinc/70/52/98/1449705298.db2.gz QOBYOSRFMODANL-UHFFFAOYSA-N -1 3 388.397 3.208 20 0 GGADHM Cc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826287724 1449729712 /nfs/dbraw/zinc/72/97/12/1449729712.db2.gz AAGBFJZYDWUOSI-UHFFFAOYSA-N -1 3 379.493 3.269 20 0 GGADHM Cc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826287724 1449729719 /nfs/dbraw/zinc/72/97/19/1449729719.db2.gz AAGBFJZYDWUOSI-UHFFFAOYSA-N -1 3 379.493 3.269 20 0 GGADHM CN(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccs1 ZINC000736758404 1449813586 /nfs/dbraw/zinc/81/35/86/1449813586.db2.gz HEOYZRMDSXXSJY-JTQLQIEISA-N -1 3 383.403 3.057 20 0 GGADHM CN(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccs1 ZINC000736758404 1449813590 /nfs/dbraw/zinc/81/35/90/1449813590.db2.gz HEOYZRMDSXXSJY-JTQLQIEISA-N -1 3 383.403 3.057 20 0 GGADHM C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820259952 1449875585 /nfs/dbraw/zinc/87/55/85/1449875585.db2.gz DOQSIHUEAQKEHN-OAHLLOKOSA-N -1 3 397.914 3.143 20 0 GGADHM C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820259952 1449875590 /nfs/dbraw/zinc/87/55/90/1449875590.db2.gz DOQSIHUEAQKEHN-OAHLLOKOSA-N -1 3 397.914 3.143 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737582767 1449880989 /nfs/dbraw/zinc/88/09/89/1449880989.db2.gz DVZVTXKBAYZYEM-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737582767 1449880994 /nfs/dbraw/zinc/88/09/94/1449880994.db2.gz DVZVTXKBAYZYEM-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM CCC[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)N(C)C ZINC000825225060 1449924012 /nfs/dbraw/zinc/92/40/12/1449924012.db2.gz KJJJCQQRPCTTMT-QRWLVFNGSA-N -1 3 392.507 3.441 20 0 GGADHM CCC[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)N(C)C ZINC000825225060 1449924015 /nfs/dbraw/zinc/92/40/15/1449924015.db2.gz KJJJCQQRPCTTMT-QRWLVFNGSA-N -1 3 392.507 3.441 20 0 GGADHM O=C1[C@H](N[C@@H]2CCCc3ccccc32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476081 1449984713 /nfs/dbraw/zinc/98/47/13/1449984713.db2.gz AGZCBXORLXSTEV-WOJBJXKFSA-N -1 3 388.475 3.029 20 0 GGADHM O=C1[C@H](N[C@@H]2CCCc3ccccc32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476081 1449984714 /nfs/dbraw/zinc/98/47/14/1449984714.db2.gz AGZCBXORLXSTEV-WOJBJXKFSA-N -1 3 388.475 3.029 20 0 GGADHM O=C(CN[C@H](c1ccccc1)C1CCCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737890764 1450018307 /nfs/dbraw/zinc/01/83/07/1450018307.db2.gz DFJJSBUEDZAPJN-OAQYLSRUSA-N -1 3 390.491 3.004 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](c2ccccc2)CC1 ZINC000735559970 1450077364 /nfs/dbraw/zinc/07/73/64/1450077364.db2.gz BCEPAWYLLXELHB-WMZOPIPTSA-N -1 3 390.491 3.463 20 0 GGADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000735559970 1450077367 /nfs/dbraw/zinc/07/73/67/1450077367.db2.gz BCEPAWYLLXELHB-WMZOPIPTSA-N -1 3 390.491 3.463 20 0 GGADHM CC(C)(C)[C@@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735597180 1450091073 /nfs/dbraw/zinc/09/10/73/1450091073.db2.gz NDEAXEWBGOAGKX-SJLPKXTDSA-N -1 3 382.512 3.120 20 0 GGADHM CC(C)(C)[C@@H]1CCCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597180 1450091075 /nfs/dbraw/zinc/09/10/75/1450091075.db2.gz NDEAXEWBGOAGKX-SJLPKXTDSA-N -1 3 382.512 3.120 20 0 GGADHM Clc1ccccc1OC[C@H]1CCCN(Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000826354041 1450152561 /nfs/dbraw/zinc/15/25/61/1450152561.db2.gz NVIXIXIQVUTXGI-HNNXBMFYSA-N -1 3 384.871 3.206 20 0 GGADHM Clc1ccccc1OC[C@H]1CCCN(Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826354041 1450152568 /nfs/dbraw/zinc/15/25/68/1450152568.db2.gz NVIXIXIQVUTXGI-HNNXBMFYSA-N -1 3 384.871 3.206 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822237484 1450160559 /nfs/dbraw/zinc/16/05/59/1450160559.db2.gz WBGISIOBBKQHGD-UHFFFAOYSA-N -1 3 380.521 3.336 20 0 GGADHM Cc1ccc(CN2CCSCC2)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822237484 1450160564 /nfs/dbraw/zinc/16/05/64/1450160564.db2.gz WBGISIOBBKQHGD-UHFFFAOYSA-N -1 3 380.521 3.336 20 0 GGADHM OC1(CN(Cc2ccccc2)Cc2cccc(-c3nn[n-]n3)c2F)CCCC1 ZINC000826506029 1450239356 /nfs/dbraw/zinc/23/93/56/1450239356.db2.gz LFWOEGJCLFZRNW-UHFFFAOYSA-N -1 3 381.455 3.313 20 0 GGADHM OC1(CN(Cc2ccccc2)Cc2cccc(-c3nnn[n-]3)c2F)CCCC1 ZINC000826506029 1450239361 /nfs/dbraw/zinc/23/93/61/1450239361.db2.gz LFWOEGJCLFZRNW-UHFFFAOYSA-N -1 3 381.455 3.313 20 0 GGADHM O=C(C[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826405158 1450250187 /nfs/dbraw/zinc/25/01/87/1450250187.db2.gz WYJHCLCHGUYQDQ-INIZCTEOSA-N -1 3 383.402 3.382 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737583860 1450295406 /nfs/dbraw/zinc/29/54/06/1450295406.db2.gz MPUMABBXRIZRHG-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM Clc1ccccc1CN1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737583860 1450295413 /nfs/dbraw/zinc/29/54/13/1450295413.db2.gz MPUMABBXRIZRHG-UHFFFAOYSA-N -1 3 383.887 3.239 20 0 GGADHM CCN(C(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000825372367 1450383287 /nfs/dbraw/zinc/38/32/87/1450383287.db2.gz WFPOQPZVHRCRAR-LSDHHAIUSA-N -1 3 396.470 3.266 20 0 GGADHM CCN(C(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000825372367 1450383292 /nfs/dbraw/zinc/38/32/92/1450383292.db2.gz WFPOQPZVHRCRAR-LSDHHAIUSA-N -1 3 396.470 3.266 20 0 GGADHM CC[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000825139186 1450474782 /nfs/dbraw/zinc/47/47/82/1450474782.db2.gz CSFCCMVQIJQKER-MENVHETRSA-N -1 3 391.397 3.447 20 0 GGADHM CC(C)N1CC[C@H](NCc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824296286 1450519844 /nfs/dbraw/zinc/51/98/44/1450519844.db2.gz FYPDUZJRYRSOSH-WMZOPIPTSA-N -1 3 388.422 3.052 20 0 GGADHM CC(C)N1CC[C@H](NCc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824296286 1450519845 /nfs/dbraw/zinc/51/98/45/1450519845.db2.gz FYPDUZJRYRSOSH-WMZOPIPTSA-N -1 3 388.422 3.052 20 0 GGADHM O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]12 ZINC001164402199 718857622 /nfs/dbraw/zinc/85/76/22/718857622.db2.gz JIXYDNDIEMKLHI-UWVGGRQHSA-N -1 3 382.823 3.136 20 0 GGADHM CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164887058 721464574 /nfs/dbraw/zinc/46/45/74/721464574.db2.gz BOKXQOJPJHBNDW-QWRGUYRKSA-N -1 3 390.887 3.047 20 0 GGADHM